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 1 physical rank 1 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 8 physical rank 1 will use CUDA device of pe 7 Pe 2 physical rank 2 will use CUDA device of pe 4 Pe 3 physical rank 3 will use CUDA device of pe 4 Pe 6 physical rank 6 will use CUDA device of pe 4 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 9 physical rank 2 will use CUDA device of pe 7 Pe 11 physical rank 4 will use CUDA device of pe 7 Pe 10 physical rank 3 will use CUDA device of pe 7 Pe 7 physical rank 0 binding to CUDA device 0 on physical node 1: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Pe 4 physical rank 4 binding to CUDA device 0 on physical node 0: 'Tesla K20X' Mem: 5759MB Rev: 3.5 Info: NAMD 2.11 for CRAY-XE-ugni-smp-BlueWaters-CUDA Info: Info: Please visit http://www.ks.uiuc.edu/Research/namd/ Info: for updates, documentation, and support information. Info: Info: Please cite Phillips et al., J. Comp. Chem. 26:1781-1802 (2005) Info: in all publications reporting results obtained with NAMD. Info: Info: Based on Charm++/Converse 60701 for gemini_gni-crayxe-persistent-smp Info: Built Tue Sep 13 16:23:43 CDT 2016 by jphillip on h2ologin1 Info: Running on 140 processors, 20 nodes, 20 physical nodes. Info: CPU topology information available. Info: Charm++/Converse parallel runtime startup completed at 0.0285254 s CkLoopLib is used in SMP with a simple dynamic scheduling (converse-level notification) but not using node-level queue Info: 38.3711 MB of memory in use based on /proc/self/stat Info: Configuration file is MD.1.conf Info: Working in the current directory /mnt/c/scratch/sciteam/trudack/md/qwikMD/1qhj_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 MD.restart.xsc Info: SIMULATION PARAMETERS: Info: TIMESTEP 2 Info: NUMBER OF STEPS 0 Info: STEPS PER CYCLE 20 Info: PERIODIC CELL BASIS 1 68.6333 0 0 Info: PERIODIC CELL BASIS 2 0 80.7777 0 Info: PERIODIC CELL BASIS 3 0 0 100.401 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 MD.restart.vel Info: CENTER OF MASS MOVING INITIALLY? NO Info: DIELECTRIC 1 Info: EXCLUDE SCALED ONE-FOUR Info: 1-4 ELECTROSTATICS SCALED BY 1 Info: MODIFIED 1-4 VDW PARAMETERS WILL BE USED Info: DCD FILENAME MD.1.dcd Info: DCD FREQUENCY 100000 Info: DCD FIRST STEP 100000 Info: DCD FILE WILL CONTAIN UNIT CELL DATA Info: XST FILENAME MD.1.xst Info: XST FREQUENCY 100000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.1 Info: RESTART FILENAME MD.1.restart Info: RESTART FREQUENCY 100000 Info: BINARY RESTART FILES WILL BE USED Info: SWITCHING ACTIVE Info: SWITCHING ON 10 Info: SWITCHING OFF 12 Info: PAIRLIST DISTANCE 14 Info: PAIRLIST SHRINK RATE 0.01 Info: PAIRLIST GROW RATE 0.01 Info: PAIRLIST TRIGGER 0.3 Info: PAIRLISTS PER CYCLE 2 Info: PAIRLISTS ENABLED Info: MARGIN 0.495 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 5.8281e-06 5.8281e-06 5.8281e-06 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 1474610440 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 MD.restart.coor Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SKIPPING rtf SECTION IN STREAM FILE Info: SUMMARY OF PARAMETERS: Info: 942 BONDS Info: 2731 ANGLES Info: 6593 DIHEDRAL Info: 211 IMPROPER Info: 6 CROSSTERM Info: 357 VDW Info: 6 VDW_PAIRS Info: 0 NBTHOLE_PAIRS Warning: VDW TYPE NAME CR15 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR14 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR13 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR12 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR11 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR10 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR9 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR8 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR7 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR6 MATCHES PARAMETER TYPE NAME CR* Warning: VDW TYPE NAME CR5 MATCHES PARAMETER TYPE NAME CR* Info: TIME FOR READING PSF FILE: 1.37944 Info: Reading pdb file 1qhj_water_QwikMD.pdb Info: TIME FOR READING PDB FILE: 0.204325 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 = 1.03253 g/cm^3 Info: ATOM DENSITY = 0.101824 atoms/A^3 Info: ***************************** Info: Reading from binary file MD.restart.coor Info: Info: Entering startup at 2.38267 s, 144.301 MB of memory in use Info: Startup phase 0 took 0.000326995 s, 144.328 MB of memory in use Info: ADDED 72885 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.091895 s, 154.836 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 0.0100651 s, 160.266 MB of memory in use Info: Startup phase 3 took 0.000224018 s, 160.43 MB of memory in use Info: Startup phase 4 took 0.001631 s, 163.164 MB of memory in use Info: Startup phase 5 took 0.000206537 s, 163.383 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 MD.restart.vel Info: REMOVING COM VELOCITY 0.051806 0.0131654 0.0290296 Info: LARGEST PATCH (72) HAS 443 ATOMS Info: TORUS A SIZE 24 USING 10 Info: TORUS B SIZE 24 USING 0 1 Info: TORUS C SIZE 24 USING 17 18 19 20 21 Info: TORUS MINIMAL MESH SIZE IS 1 BY 2 BY 5 Info: Placed 100% of base nodes on same physical node as patch Info: Startup phase 6 took 0.0647118 s, 174.93 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 0.548542 s, 176.078 MB of memory in use Info: Startup phase 8 took 0.00281258 s, 174.438 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 0.0335148 s, 174.441 MB of memory in use Info: CREATING 5174 COMPUTE OBJECTS CUDA device 0 stream priority range 0 -1 Pe 11 hosts 0 local and 6 remote patches for pe 7 Pe 9 hosts 0 local and 6 remote patches for pe 7 Pe 7 hosts 0 local and 6 remote patches for pe 7 Pe 10 hosts 0 local and 4 remote patches for pe 7 Pe 13 hosts 0 local and 6 remote patches for pe 7 Pe 12 hosts 0 local and 6 remote patches for pe 7 Pe 8 hosts 0 local and 5 remote patches for pe 7 Info: Found 309 unique exclusion lists needing 1048 bytes Pe 3 hosts 0 local and 6 remote patches for pe 4 Pe 0 hosts 0 local and 4 remote patches for pe 4 Pe 5 hosts 0 local and 7 remote patches for pe 4 Pe 1 hosts 0 local and 6 remote patches for pe 4 Pe 2 hosts 0 local and 4 remote patches for pe 4 Pe 6 hosts 0 local and 6 remote patches for pe 4 Pe 4 hosts 0 local and 7 remote patches for pe 4 Info: Startup phase 10 took 0.0322321 s, 178.012 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 0.000429501 s, 178.168 MB of memory in use Info: Startup phase 12 took 9.8981e-05 s, 178.168 MB of memory in use Info: Finished startup at 3.16936 s, 178.168 MB of memory in use TCL: Running for 5000000 steps Pe 4 has 0 local and 40 remote patches and 0 local and 138 remote computes. Pe 7 has 0 local and 39 remote patches and 0 local and 161 remote computes. PRESSURE: 0 73.7338 -65.9582 -10.2558 -65.9586 154.826 -205.569 -10.2561 -205.567 67.8384 GPRESSURE: 0 106.056 -32.171 13.4499 -41.7603 159.396 -221.77 -4.44286 -195.26 119.786 ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 0 715.0857 2054.5745 1950.3600 104.8051 -207037.4217 18010.5069 0.0000 0.0000 34432.9817 -149769.1079 300.7118 -184202.0896 -149674.2441 300.7118 98.7994 128.4127 556625.5740 98.7994 128.4127 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 3.27293 LDB: ============== END OF LOAD BALANCING =============== 3.27313 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.2746 LDB: ============= START OF LOAD BALANCING ============== 3.54449 LDB: Largest compute 4848 load 0.021811 is 23.5% of average load 0.092836 LDB: Average compute 0.001421 is 1.5% of average load 0.092836 LDB: Partitioning computes with target load 0.009284 LDB: Increased migratable compute count from 840 to 840 LDB: Largest unpartitionable compute is 0.021811 LDB: ============== END OF LOAD BALANCING =============== 3.54831 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 3.55265 Info: useSync: 0 useProxySync: 0 Info: Initial time: 140 CPUs 0.00361524 s/step 0.0209215 days/ns 192.371 MB memory LDB: ============= START OF LOAD BALANCING ============== 3.61364 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3.61381 LDB: =============== DONE WITH MIGRATION ================ 3.61535 LDB: ============= START OF LOAD BALANCING ============== 3.85965 LDB: Largest compute 4848 load 0.022467 is 23.7% of average load 0.094636 LDB: Average compute 0.001407 is 1.5% of average load 0.094636 LDB: TIME 3.86187 LOAD: AVG 0.094636 MAX 0.169731 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 193.141 MB LDB: TIME 3.86302 LOAD: AVG 0.094636 MAX 0.158198 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 TorusLB MEM: 193.156 MB LDB: ============== END OF LOAD BALANCING =============== 3.86603 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3.87035 PRESSURE: 200 -169.579 139.061 141.179 139.062 -25.6531 -31.4618 141.178 -31.4607 303.297 GPRESSURE: 200 -150.954 230.272 78.0813 75.2146 13.4267 -51.3889 157.208 25.7871 348.668 PRESSAVG: 200 16.9676 -1.59407 -4.78338 -1.59404 -23.6519 -110.264 -4.78333 -110.264 -2.08116 GPRESSAVG: 200 15.6168 -2.16003 -8.51935 -3.00866 -23.3926 -110.373 -5.08001 -109.788 -1.50651 Info: Initial time: 140 CPUs 0.00304816 s/step 0.0176398 days/ns 193.488 MB memory TIMING: 200 CPU: 0.740776, 0.00344468/step Wall: 0.740776, 0.00344468/step, 4.78408 hours remaining, 193.492188 MB of memory in use. ENERGY: 200 748.0706 2025.3003 1984.0571 107.3081 -206926.6983 18069.5647 0.0000 0.0000 34247.5457 -149744.8518 299.0923 -183992.3974 -149652.2161 298.2712 36.0219 70.3801 557601.9544 -2.9218 -3.0941 LDB: ============= START OF LOAD BALANCING ============== 4.16862 LDB: Largest compute 4848 load 0.028888 is 24.1% of average load 0.120046 LDB: Average compute 0.001760 is 1.5% of average load 0.120046 LDB: TIME 4.1709 LOAD: AVG 0.120046 MAX 0.196908 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 194 MB LDB: TIME 4.17119 LOAD: AVG 0.120046 MAX 0.196908 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 194.023 MB LDB: TIME 4.17129 LOAD: AVG 0.120046 MAX 0.196908 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 194.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4.17327 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.17734 Info: Initial time: 140 CPUs 0.00297952 s/step 0.0172426 days/ns 193.676 MB memory LDB: ============= START OF LOAD BALANCING ============== 4.47629 LDB: Largest compute 4848 load 0.029241 is 24.3% of average load 0.120409 LDB: Average compute 0.001748 is 1.5% of average load 0.120409 LDB: TIME 4.4786 LOAD: AVG 0.120409 MAX 0.199164 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 193.676 MB LDB: TIME 4.47887 LOAD: AVG 0.120409 MAX 0.199164 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 193.719 MB LDB: TIME 4.47897 LOAD: AVG 0.120409 MAX 0.199164 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 193.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4.48096 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4.48494 PRESSURE: 400 15.9332 108.212 -71.8833 108.21 58.325 19.7673 -71.8845 19.7658 329.816 GPRESSURE: 400 49.4813 147.695 -176.188 66.8261 99.3968 -91.0603 -23.2262 88.4371 349.239 PRESSAVG: 400 -16.9567 76.7142 16.4399 76.7142 6.383 -18.1898 16.4398 -18.1898 11.6191 GPRESSAVG: 400 -16.4436 74.9081 15.4948 78.447 7.24222 -17.9188 19.8784 -18.401 10.5414 Info: Benchmark time: 140 CPUs 0.00298947 s/step 0.0173002 days/ns 195.145 MB memory TIMING: 400 CPU: 1.35532, 0.00307273/step Wall: 1.35532, 0.00307273/step, 4.26733 hours remaining, 195.144531 MB of memory in use. ENERGY: 400 737.2400 2002.3604 1960.8025 116.4571 -206732.9235 18031.1504 0.0000 0.0000 34277.2946 -149607.6184 299.3521 -183884.9130 -149515.7957 297.4599 134.6913 166.0390 556869.1269 0.3484 0.4467 Info: Benchmark time: 140 CPUs 0.00296183 s/step 0.0171402 days/ns 195.145 MB memory PRESSURE: 600 -4.67668 104.818 44.0017 104.818 243.275 -9.17797 44.0009 -9.17536 -117.444 GPRESSURE: 600 3.74319 74.92 -9.37478 125.63 286.638 52.4447 68.432 20.2016 -66.1588 PRESSAVG: 600 -30.3209 25.6458 103.504 25.6458 -29.2018 10.1196 103.504 10.1197 57.9812 GPRESSAVG: 600 -29.4684 26.8368 105.41 23.9994 -29.9084 7.56163 100.72 10.8502 58.3355 Info: Benchmark time: 140 CPUs 0.00295653 s/step 0.0171095 days/ns 195.145 MB memory TIMING: 600 CPU: 1.94737, 0.00296023/step Wall: 1.94737, 0.00296023/step, 4.11093 hours remaining, 195.144531 MB of memory in use. ENERGY: 600 719.5120 2134.0635 1947.0566 105.0963 -206319.6754 17768.8233 0.0000 0.0000 34131.5431 -149513.5807 298.0793 -183645.1238 -149414.2274 298.4552 40.3848 74.7406 557028.4940 -0.5138 -0.3471 Info: Benchmark time: 140 CPUs 0.00298215 s/step 0.0172578 days/ns 195.145 MB memory PRESSURE: 800 11.2933 -23.4525 73.6653 -23.4531 -115.941 -21.3266 73.6652 -21.3258 -165.851 GPRESSURE: 800 40.4155 3.01048 117.098 -25.0127 -111.337 -49.5074 90.7982 -45.7857 -101.45 PRESSAVG: 800 89.3366 63.0889 18.8519 63.0889 -13.7637 32.0294 18.8519 32.0294 -89.9279 GPRESSAVG: 800 88.6167 64.5878 20.2694 62.3779 -13.5499 33.5104 17.2513 32.8146 -89.7416 Info: Benchmark time: 140 CPUs 0.00298532 s/step 0.0172762 days/ns 195.145 MB memory TIMING: 800 CPU: 2.54431, 0.00298474/step Wall: 2.54431, 0.00298474/step, 4.1448 hours remaining, 195.144531 MB of memory in use. ENERGY: 800 749.3983 2086.1963 1960.9138 110.5789 -206092.8880 17773.3681 0.0000 0.0000 33974.3164 -149438.1162 296.7062 -183412.4325 -149330.7979 298.5692 -90.1662 -57.4571 558133.5419 -4.7850 -4.8916 Info: Benchmark time: 140 CPUs 0.00292832 s/step 0.0169463 days/ns 195.145 MB memory PRESSURE: 1000 16.0919 165.712 122.214 165.712 52.837 -172.081 122.215 -172.08 205.731 GPRESSURE: 1000 24.3287 75.9853 178.928 169.32 49.7232 -115.917 29.6871 -176.057 296.815 PRESSAVG: 1000 -78.7148 16.9641 33.6759 16.9642 7.41927 -59.3097 33.6759 -59.3095 50.2915 GPRESSAVG: 1000 -78.4128 15.0415 31.3296 18.9683 6.63017 -59.226 35.6622 -60.1998 50.78 TIMING: 1000 CPU: 3.13151, 0.00293598/step Wall: 3.13151, 0.00293598/step, 4.07694 hours remaining, 195.144531 MB of memory in use. ENERGY: 1000 753.2520 2063.2108 1937.7161 119.8940 -206544.3248 17984.0318 0.0000 0.0000 34162.0518 -149524.1683 298.3457 -183686.2201 -149434.8071 297.9262 91.5533 123.6221 557536.2047 -7.0014 -7.0009 PRESSURE: 1200 -138.239 -106.202 140.276 -106.201 -52.3346 -28.1468 140.275 -28.1482 97.2213 GPRESSURE: 1200 -125.552 -158.243 207.904 5.24507 11.9364 57.8192 84.9214 -159.349 115.379 PRESSAVG: 1200 20.4147 -2.75079 69.1986 -2.75086 -25.3101 -0.0933055 69.1986 -0.0933148 1.93247 GPRESSAVG: 1200 19.7272 -2.21609 71.2922 -1.79688 -23.873 -1.48275 69.2336 -0.521807 0.599637 TIMING: 1200 CPU: 3.72089, 0.00294692/step Wall: 3.72089, 0.00294692/step, 4.09196 hours remaining, 195.144531 MB of memory in use. ENERGY: 1200 747.3329 2123.5874 1964.7015 111.5206 -206544.1837 17835.3879 0.0000 0.0000 34306.9821 -149454.6715 299.6114 -183761.6536 -149358.6635 297.9733 -31.1174 0.5880 557140.6110 -0.9876 -1.1821 PRESSURE: 1400 62.6193 50.5663 73.4816 50.5662 -98.8664 -44.2641 73.4826 -44.2663 -3.78649 GPRESSURE: 1400 147.292 149.635 83.862 48.7286 -104.706 -28.0225 118.722 -101.75 6.82099 PRESSAVG: 1400 -4.88465 -19.1077 36.7158 -19.1077 -2.57671 -15.7003 36.7158 -15.7003 -11.6584 GPRESSAVG: 1400 -4.06324 -16.1821 35.4526 -21.1969 -3.62408 -14.7781 37.4368 -16.5314 -11.0216 TIMING: 1400 CPU: 4.31082, 0.00294964/step Wall: 4.31082, 0.00294964/step, 4.09557 hours remaining, 195.144531 MB of memory in use. ENERGY: 1400 749.7856 2074.3354 1942.5419 127.4492 -206331.0297 17920.8458 0.0000 0.0000 34286.1206 -149229.9512 299.4292 -183516.0719 -149134.6036 299.3036 -13.3445 16.4691 557093.1569 -6.3733 -6.2363 PRESSURE: 1600 -348.58 55.3199 -114.61 55.32 -131.68 200.154 -114.61 200.152 -120.602 GPRESSURE: 1600 -284.943 88.9643 -132.705 28.0932 -32.8565 128.447 -30.6104 260.169 -179.305 PRESSAVG: 1600 -28.1542 -15.2151 46.3051 -15.2151 11.5171 56.1113 46.3051 56.1114 61.7876 GPRESSAVG: 1600 -29.0338 -18.4853 48.0342 -16.1026 12.0645 55.537 45.3383 59.11 61.7657 TIMING: 1600 CPU: 4.90023, 0.00294706/step Wall: 4.90023, 0.00294706/step, 4.09183 hours remaining, 195.144531 MB of memory in use. ENERGY: 1600 730.0615 2113.0510 1945.9308 109.9281 -205628.9767 17607.2215 0.0000 0.0000 34037.0622 -149085.7215 297.2541 -183122.7837 -148997.9018 299.2520 -200.2874 -165.7015 558846.4754 15.0502 14.9321 PRESSURE: 1800 27.3781 -12.9053 90.0606 -12.9057 -206.427 -113.67 90.061 -113.668 -247.475 GPRESSURE: 1800 51.6724 45.9312 70.2814 -60.8402 -193.168 -124.87 93.9327 -113.654 -193.365 PRESSAVG: 1800 24.4407 -2.72444 -22.9201 -2.72441 -11.5012 32.4374 -22.92 32.4375 -6.3496 GPRESSAVG: 1800 23.8701 -1.09721 -24.4942 -2.70516 -10.2387 31.5397 -22.6062 32.6165 -6.56783 TIMING: 1800 CPU: 5.48724, 0.00293501/step Wall: 5.48723, 0.00293501/step, 4.07493 hours remaining, 195.363281 MB of memory in use. ENERGY: 1800 769.2166 2105.0095 1933.0309 122.4521 -205705.3768 17682.0826 0.0000 0.0000 34152.4288 -148941.1563 298.2617 -183093.5852 -148846.2433 299.6520 -142.1746 -111.6203 559291.7746 2.1966 2.3545 PRESSURE: 2000 -137.153 -47.4807 -117.328 -47.4801 -212.173 121.324 -117.327 121.324 -116.762 GPRESSURE: 2000 -135.342 2.69666 -6.81423 45.6996 -181.774 175.567 -43.647 120.721 -68.0408 PRESSAVG: 2000 -11.1411 -4.11937 -15.932 -4.11939 11.8425 34.4103 -15.932 34.4103 -20.7883 GPRESSAVG: 2000 -11.6275 -4.30882 -15.6802 -1.90907 11.7708 37.0437 -17.6033 33.2291 -20.0879 TIMING: 2000 CPU: 6.07617, 0.00294466/step Wall: 6.07617, 0.00294466/step, 4.08817 hours remaining, 195.363281 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: 2000 713.7238 2124.7294 1955.5008 113.5012 -205627.5772 17489.1592 0.0000 0.0000 34224.8523 -149006.1105 298.8941 -183230.9627 -148907.7480 299.8898 -155.3625 -128.3856 559318.4525 -6.6956 -6.6482 PRESSURE: 2200 -150.405 4.98033 -8.92091 4.98059 -122.078 104.319 -8.91951 104.318 -107.73 GPRESSURE: 2200 -107.394 20.9549 -55.385 -21.5382 -67.3756 49.8121 24.4403 121.22 -107.883 PRESSAVG: 2200 -22.7416 9.30519 -47.3635 9.30514 -23.0628 25.1718 -47.3635 25.1717 60.4714 GPRESSAVG: 2200 -21.7635 8.89277 -46.0513 9.75987 -23.0433 23.1199 -48.3683 25.0824 60.0114 TIMING: 2200 CPU: 6.6646, 0.00294216/step Wall: 6.6646, 0.00294216/step, 4.08453 hours remaining, 195.414062 MB of memory in use. ENERGY: 2200 752.5023 2126.6931 1949.4394 110.1940 -205754.0371 17616.7668 0.0000 0.0000 34276.5450 -148921.8966 299.3456 -183198.4415 -148824.5299 299.8148 -126.7375 -94.2175 558695.2532 4.8890 5.0682 PRESSURE: 2400 -116.986 61.6757 -6.55057 61.6761 24.2024 -89.9509 -6.55031 -89.9521 -172.609 GPRESSURE: 2400 -87.9103 39.611 2.60353 121.883 69.5825 -21.062 -13.6823 -104.199 -158.344 PRESSAVG: 2400 -48.9231 3.68034 -55.1153 3.68032 50.6767 -21.3056 -55.1152 -21.3055 -16.1745 GPRESSAVG: 2400 -47.8946 2.70759 -56.0092 1.62742 49.5107 -22.2345 -52.6404 -20.1205 -16.0217 TIMING: 2400 CPU: 7.25023, 0.00292817/step Wall: 7.25023, 0.00292817/step, 4.06495 hours remaining, 195.414062 MB of memory in use. ENERGY: 2400 747.1439 2104.7435 1947.2883 101.1321 -206074.7433 17700.9665 0.0000 0.0000 34381.6317 -149091.8374 300.2633 -183473.4691 -148987.2597 299.1653 -88.4643 -58.8906 558796.2287 -4.8070 -4.8019 PRESSURE: 2600 60.6432 70.276 -26.5929 70.2758 6.71346 26.9382 -26.5939 26.9371 -217.455 GPRESSURE: 2600 48.2662 80.1196 49.9796 73.4232 88.1692 21.54 35.6234 2.37136 -186.847 PRESSAVG: 2600 -7.0375 13.5478 -19.8497 13.5479 14.3454 -25.3159 -19.8497 -25.3159 -6.66741 GPRESSAVG: 2600 -6.94298 15.6227 -19.877 13.9814 14.4926 -23.4182 -20.2315 -25.9918 -7.00255 TIMING: 2600 CPU: 7.84053, 0.00295148/step Wall: 7.84053, 0.00295148/step, 4.09714 hours remaining, 195.414062 MB of memory in use. ENERGY: 2600 757.5793 2044.5958 1925.4128 119.4716 -206403.4249 17911.7397 0.0000 0.0000 34497.6793 -149146.9465 301.2768 -183644.6258 -149048.8688 299.1916 -50.0328 -16.8038 556721.7562 0.2135 0.1824 PRESSURE: 2800 -38.5863 58.5097 -27.0403 58.5108 28.4759 -27.9554 -27.0398 -27.9558 115.46 GPRESSURE: 2800 -28.4993 80.3895 -40.4766 56.377 79.336 -5.6814 0.0647605 -15.215 148.681 PRESSAVG: 2800 -22.8315 17.1372 -35.0374 17.1372 47.2436 -1.81693 -35.0374 -1.81704 -34.7194 GPRESSAVG: 2800 -24.8135 16.4956 -33.9369 16.7285 48.9506 -3.52572 -35.3052 -1.18398 -34.7691 TIMING: 2800 CPU: 8.43169, 0.00295581/step Wall: 8.43169, 0.00295581/step, 4.103 hours remaining, 195.414062 MB of memory in use. ENERGY: 2800 763.6778 2133.1662 1947.0032 115.6065 -205874.8456 17811.2241 0.0000 0.0000 34239.3628 -148864.8050 299.0209 -183104.1678 -148771.6640 299.1764 35.1166 66.5058 559468.4214 -3.4358 -3.5440 PRESSURE: 3000 116.994 110.669 17.4994 110.669 162.961 239.391 17.4997 239.392 -42.0094 GPRESSURE: 3000 158.115 105.606 -6.9807 30.4916 216.377 272.482 -9.11645 226.398 -37.1857 PRESSAVG: 3000 22.5865 8.17106 -10.9126 8.17104 -19.875 -2.45762 -10.9125 -2.45758 -20.0423 GPRESSAVG: 3000 24.5792 6.92332 -11.7964 9.51453 -22.905 -1.47917 -10.9481 -2.02793 -19.006 TIMING: 3000 CPU: 9.01634, 0.00292326/step Wall: 9.01634, 0.00292326/step, 4.05764 hours remaining, 195.425781 MB of memory in use. ENERGY: 3000 739.9938 2121.9400 1962.0886 106.1359 -206126.0648 17895.3434 0.0000 0.0000 34369.5262 -148931.0368 300.1576 -183300.5630 -148831.6436 299.9291 79.3150 112.4354 557173.6806 -5.7770 -5.7773 PRESSURE: 3200 62.3231 8.09261 91.74 8.09221 42.6199 39.2694 91.7399 39.2693 -30.5802 GPRESSURE: 3200 122.126 -42.8156 89.1449 44.9938 70.538 22.8012 78.5225 31.3136 -11.1539 PRESSAVG: 3200 32.3172 -23.6512 -66.0979 -23.6511 -15.2145 5.83484 -66.098 5.83483 -1.6494 GPRESSAVG: 3200 31.5406 -24.4635 -66.2191 -23.2271 -13.3378 5.44388 -66.3002 5.327 -2.19555 TIMING: 3200 CPU: 9.6061, 0.0029488/step Wall: 9.6061, 0.0029488/step, 4.09294 hours remaining, 195.425781 MB of memory in use. ENERGY: 3200 746.2939 2104.2477 1948.5357 129.1927 -206201.0467 17862.1411 0.0000 0.0000 34351.0549 -149059.5807 299.9963 -183410.6356 -148973.6004 300.0028 24.7876 60.5035 556431.9159 5.1511 5.3357 PRESSURE: 3400 2.40291 -42.8953 -66.3282 -42.8955 -45.0287 167.706 -66.3286 167.705 17.7876 GPRESSURE: 3400 20.3915 -99.4955 -67.7691 -35.3855 36.5476 182.684 -19.0223 127.047 22.2059 PRESSAVG: 3400 -69.0586 -5.61039 -14.3939 -5.61034 28.1241 28.3121 -14.3939 28.3122 28.0284 GPRESSAVG: 3400 -69.1556 -3.08141 -15.0325 -7.37549 29.5274 29.587 -14.1925 27.9057 27.2276 TIMING: 3400 CPU: 10.1961, 0.00294984/step Wall: 10.1961, 0.00294984/step, 4.09421 hours remaining, 195.425781 MB of memory in use. ENERGY: 3400 760.3026 2110.0982 1937.4574 104.9670 -205978.9484 17818.7187 0.0000 0.0000 34361.8145 -148885.5901 300.0903 -183247.4046 -148777.0868 299.7428 -8.2794 26.3817 556910.4461 -4.3020 -4.1335 PRESSURE: 3600 -366.843 34.9532 -146.739 34.9523 -175.673 137.978 -146.737 137.978 -15.8886 GPRESSURE: 3600 -259.095 -71.0013 -157.299 9.63305 -169.512 120.29 -102.69 148.033 -26.5719 PRESSAVG: 3600 -18.2981 -33.1356 -44.5286 -33.1357 -39.9323 26.4295 -44.5285 26.4295 26.2126 GPRESSAVG: 3600 -18.4591 -35.8481 -43.8629 -31.2713 -42.0077 25.3864 -44.4642 26.809 28.3942 TIMING: 3600 CPU: 10.7884, 0.00296158/step Wall: 10.7884, 0.00296158/step, 4.11034 hours remaining, 195.425781 MB of memory in use. ENERGY: 3600 743.3077 2122.6977 1965.4676 102.0426 -205647.5568 17392.8428 0.0000 0.0000 34148.0670 -149173.1315 298.2236 -183321.1985 -149081.1847 299.3158 -186.1348 -151.7264 557539.7518 -10.6726 -10.6909 PRESSURE: 3800 206.537 -119.463 -107.696 -119.461 110.223 178.344 -107.695 178.345 84.1673 GPRESSURE: 3800 232.441 -79.5814 -32.0505 -125.363 109.039 177.621 -100.155 131.95 154.175 PRESSAVG: 3800 -21.2052 -41.1701 -42.6145 -41.1701 -0.718399 44.4503 -42.6146 44.4503 20.5552 GPRESSAVG: 3800 -20.9601 -39.2725 -42.2218 -43.5142 -0.0533047 45.2742 -41.5854 46.0393 19.2648 TIMING: 3800 CPU: 11.3828, 0.00297216/step Wall: 11.3828, 0.00297216/step, 4.12486 hours remaining, 195.449219 MB of memory in use. ENERGY: 3800 729.2997 2044.3727 1986.5063 115.6678 -206512.9314 17934.0516 0.0000 0.0000 34426.7576 -149276.2758 300.6574 -183703.0334 -149180.5902 299.1051 133.6424 165.2182 555813.3543 -0.4561 -0.5829 PRESSURE: 4000 10.1016 -34.6435 41.129 -34.6437 0.813538 -206.727 41.1285 -206.725 129.494 GPRESSURE: 4000 49.9143 -23.9786 102.5 -85.5611 59.6231 -142.098 68.0499 -147.95 126.909 PRESSAVG: 4000 -12.1429 14.9255 71.4741 14.9255 -20.6399 -18.0637 71.4741 -18.0636 -14.2888 GPRESSAVG: 4000 -12.8568 15.0182 70.2246 15.885 -21.259 -19.5981 71.4293 -17.8023 -13.5406 TIMING: 4000 CPU: 11.9758, 0.00296469/step Wall: 11.9758, 0.00296469/step, 4.11433 hours remaining, 195.449219 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: 4000 733.6318 2058.6776 1967.9778 127.1964 -206098.8962 17831.1076 0.0000 0.0000 34314.1408 -149066.1642 299.6739 -183380.3050 -148971.9268 298.7376 46.8032 78.8156 558928.5859 -15.6905 -15.8855 PRESSURE: 4200 194.238 212.83 176.393 212.83 187.589 -86.9438 176.393 -86.9449 -2.47455 GPRESSURE: 4200 210.975 165.674 255.254 161.675 191.346 -129.1 240.823 -89.7913 60.3948 PRESSAVG: 4200 -53.1244 -5.94325 20.6916 -5.94319 -19.1433 -7.02889 20.6916 -7.0289 93.5781 GPRESSAVG: 4200 -52.8455 -8.22923 22.077 -5.59672 -19.6147 -6.61872 19.5164 -8.26205 93.4829 TIMING: 4200 CPU: 12.5698, 0.00297026/step Wall: 12.5698, 0.00297026/step, 4.1219 hours remaining, 195.449219 MB of memory in use. ENERGY: 4200 722.8767 2075.5650 1961.5861 114.5630 -206025.5380 17825.6303 0.0000 0.0000 34410.0388 -148915.2782 300.5114 -183325.3170 -148817.2365 299.9877 126.4509 154.2384 556964.1003 7.1034 7.0076 LDB: ============= START OF LOAD BALANCING ============== 15.998 LDB: ============== END OF LOAD BALANCING =============== 15.9982 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15.9998 LDB: ============= START OF LOAD BALANCING ============== 16.2962 LDB: Largest compute 4848 load 0.026256 is 22.4% of average load 0.117277 LDB: Average compute 0.001729 is 1.5% of average load 0.117277 LDB: TIME 16.2986 LOAD: AVG 0.117277 MAX 0.197771 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 195.289 MB LDB: TIME 16.2988 LOAD: AVG 0.117277 MAX 0.197771 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.488 MB LDB: TIME 16.2989 LOAD: AVG 0.117277 MAX 0.197771 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.488 MB LDB: ============== END OF LOAD BALANCING =============== 16.3007 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 16.3048 PRESSURE: 4400 -143.771 -27.1499 -62.6856 -27.1503 -196.311 26.7629 -62.686 26.7634 107.718 GPRESSURE: 4400 -60.9239 10.1896 -6.29675 -12.3421 -186.308 58.6412 -85.17 -31.6003 109.228 PRESSAVG: 4400 40.682 18.0525 32.1657 18.0524 -67.0112 -14.7542 32.1658 -14.7542 -9.02671 GPRESSAVG: 4400 41.0795 19.7412 31.6413 18.7541 -67.2259 -12.1529 31.6611 -16.4384 -9.72115 TIMING: 4400 CPU: 13.1752, 0.00302709/step Wall: 13.1752, 0.00302709/step, 4.20059 hours remaining, 195.800781 MB of memory in use. ENERGY: 4400 744.2232 2113.9141 1947.0921 104.5948 -206123.6201 17712.1607 0.0000 0.0000 34490.5843 -149011.0509 301.2149 -183501.6352 -148904.4992 299.4179 -77.4545 -46.0012 556888.4425 -11.7853 -11.9558 PRESSURE: 4600 -243.403 28.5237 30.6877 28.5246 -287.298 -6.68984 30.6863 -6.69104 38.0913 GPRESSURE: 4600 -175.414 28.8626 19.9029 43.5234 -280.502 -1.20069 14.258 -77.7183 69.1358 PRESSAVG: 4600 -29.0066 -28.4032 -5.82716 -28.4032 -102.935 -0.262924 -5.82721 -0.262882 72.028 GPRESSAVG: 4600 -28.9513 -26.2084 -4.76207 -30.2834 -102.807 -3.07784 -4.59239 2.32909 72.3836 TIMING: 4600 CPU: 13.7673, 0.0029605/step Wall: 13.7673, 0.00296051/step, 4.10803 hours remaining, 196.000000 MB of memory in use. ENERGY: 4600 750.8244 2072.2255 1962.4538 124.7127 -206228.6636 17668.1226 0.0000 0.0000 34428.6968 -149221.6278 300.6744 -183650.3246 -149129.4375 299.7632 -164.2031 -128.9266 556041.1924 -19.9713 -19.7915 PRESSURE: 4800 44.9963 81.5711 -138.798 81.5704 111.163 -22.0977 -138.799 -22.0978 -15.4634 GPRESSURE: 4800 95.7297 158.192 -180.389 -12.3625 98.264 86.6987 -25.0024 -25.1686 40.6142 PRESSAVG: 4800 -31.0272 0.567637 0.430916 0.567714 -19.7965 25.4938 0.430816 25.4937 73.3808 GPRESSAVG: 4800 -30.2827 2.06106 -1.5518 1.59937 -19.4954 24.8039 0.248338 25.8596 72.7822 TIMING: 4800 CPU: 14.3572, 0.00294917/step Wall: 14.3572, 0.00294917/step, 4.09214 hours remaining, 196.000000 MB of memory in use. ENERGY: 4800 761.4846 2103.4544 1938.6873 129.1764 -206665.0549 18026.0494 0.0000 0.0000 34378.2069 -149327.9959 300.2334 -183706.2028 -149231.7577 299.6748 46.8986 78.2026 556206.2770 7.5190 7.6681 PRESSURE: 5000 -107.048 -48.4627 -30.5285 -48.4628 146.105 -51.8599 -30.5294 -51.8585 112.05 GPRESSURE: 5000 10.0306 -40.2353 -34.986 -23.9457 155.888 -99.5783 -50.041 -35.6255 82.5196 PRESSAVG: 5000 -7.40754 -51.0893 14.833 -51.0894 14.4679 0.459374 14.8331 0.459552 3.3682 GPRESSAVG: 5000 -7.12783 -54.8357 17.658 -49.56 13.9337 2.43266 13.2568 0.247205 3.29943 TIMING: 5000 CPU: 14.9493, 0.0029607/step Wall: 14.9493, 0.0029607/step, 4.10797 hours remaining, 196.000000 MB of memory in use. ENERGY: 5000 727.3421 2075.8905 1967.3210 119.6827 -206259.3277 17802.0398 0.0000 0.0000 34309.1136 -149257.9380 299.6300 -183567.0516 -149163.9796 299.2351 50.3690 82.8127 556224.0720 3.4762 3.3684 PRESSURE: 5200 63.9471 103.609 105.092 103.61 371.816 108.071 105.094 108.07 111.232 GPRESSURE: 5200 64.4122 29.8175 92.6277 84.3069 423.852 103.473 109.396 30.9481 145.6 PRESSAVG: 5200 -5.27338 15.6605 -44.452 15.6605 52.5373 -13.2227 -44.452 -13.2226 -5.52608 GPRESSAVG: 5200 -6.61604 15.5053 -46.7894 14.9622 53.5878 -14.4109 -44.7448 -11.4925 -5.00119 TIMING: 5200 CPU: 15.5341, 0.00292416/step Wall: 15.5341, 0.00292416/step, 4.05711 hours remaining, 196.000000 MB of memory in use. ENERGY: 5200 743.3234 2059.4534 1935.0819 103.8437 -206510.7227 18107.5954 0.0000 0.0000 34336.2571 -149225.1678 299.8671 -183561.4249 -149130.5114 299.9936 182.3319 211.2880 557054.5318 13.9126 13.9902 PRESSURE: 5400 74.0685 264.018 121.706 264.017 73.3639 73.1096 121.705 73.109 -4.93277 GPRESSURE: 5400 91.0076 239.933 141.515 272.974 133.549 -16.9186 65.2573 92.7199 4.64226 PRESSAVG: 5400 -23.0896 -11.237 -5.79356 -11.2369 -6.61094 10.5792 -5.7936 10.5791 -10.6859 GPRESSAVG: 5400 -22.989 -11.0258 -5.57955 -10.6295 -7.5104 12.3658 -3.93579 10.0182 -9.62192 TIMING: 5400 CPU: 16.1185, 0.00292185/step Wall: 16.1185, 0.00292185/step, 4.05374 hours remaining, 196.000000 MB of memory in use. ENERGY: 5400 693.2985 2063.4053 1976.7646 121.8501 -206111.1585 17837.4214 0.0000 0.0000 34171.0942 -149247.3244 298.4247 -183418.4186 -149146.3837 298.7905 47.4999 76.3997 557606.7287 -13.4622 -13.3738 PRESSURE: 5600 0.95967 180.065 104.567 180.065 172.923 243.354 104.566 243.354 -139.787 GPRESSURE: 5600 14.1595 95.6769 124.608 183.745 196.881 180.177 212.265 227.554 -63.9135 PRESSAVG: 5600 8.43444 40.6967 34.3968 40.6967 26.6349 -10.3985 34.3969 -10.3985 -4.06248 GPRESSAVG: 5600 8.20816 40.2246 33.0034 40.3999 26.5796 -10.8577 33.7405 -11.6141 -4.12408 TIMING: 5600 CPU: 16.7042, 0.00292829/step Wall: 16.7042, 0.00292829/step, 4.06251 hours remaining, 196.000000 MB of memory in use. ENERGY: 5600 744.0973 2105.9005 1957.3713 121.7868 -205904.4651 17718.4943 0.0000 0.0000 34141.8320 -149114.9829 298.1691 -183256.8149 -149014.2906 299.8431 11.3653 49.0423 557650.1619 10.3356 10.2212 PRESSURE: 5800 -89.4694 -122.769 -53.1615 -122.77 -33.3072 -40.2466 -53.1627 -40.2451 2.51101 GPRESSURE: 5800 -79.4663 -84.9609 -109.71 -96.0809 -31.8195 -44.5725 -25.4218 -74.1616 89.0702 PRESSAVG: 5800 -30.4422 7.14857 -1.47698 7.1486 18.3911 -5.58647 -1.47705 -5.58647 -2.82145 GPRESSAVG: 5800 -30.4037 10.0089 -2.07831 4.28333 19.5322 -6.28606 -2.44403 -4.30255 -3.68027 TIMING: 5800 CPU: 17.2948, 0.00295343/step Wall: 17.2948, 0.00295343/step, 4.09723 hours remaining, 196.000000 MB of memory in use. ENERGY: 5800 721.0746 2132.3440 1943.1294 107.4031 -205887.2037 17524.0074 0.0000 0.0000 34417.5398 -149041.7054 300.5769 -183459.2452 -148946.0596 299.3671 -40.0885 -7.4052 556773.4428 -4.9575 -4.8506 PRESSURE: 6000 -224.397 -131.003 -16.9981 -131.003 -229.111 -151.329 -16.9981 -151.328 23.3979 GPRESSURE: 6000 -250.905 -134.16 11.7084 -161.539 -125.108 -158.236 -63.9553 -132.403 50.6136 PRESSAVG: 6000 -31.4191 -3.75587 -8.06413 -3.75596 7.86307 10.0951 -8.06416 10.0949 99.1875 GPRESSAVG: 6000 -30.1957 -6.92752 -7.1768 -2.22398 6.82185 11.1553 -8.52192 9.57482 98.6577 TIMING: 6000 CPU: 17.8817, 0.00293444/step Wall: 17.8817, 0.00293444/step, 4.07073 hours remaining, 196.000000 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: 6000 753.3941 2057.4604 1954.0396 102.3476 -206374.6604 17787.7981 0.0000 0.0000 34458.0533 -149261.5672 300.9308 -183719.6205 -149165.6712 300.2481 -143.3698 -108.4664 557540.3790 25.2105 25.0946 PRESSURE: 6200 61.9417 -40.3707 -53.9653 -40.3719 63.4726 55.8528 -53.9654 55.8544 -50.9476 GPRESSURE: 6200 82.3232 6.96792 -102.119 -45.8283 94.3707 43.0024 -101.528 138.513 3.10641 PRESSAVG: 6200 -20.9861 -10.3965 -57.7066 -10.3966 26.9016 -9.40433 -57.7065 -9.4043 -15.224 GPRESSAVG: 6200 -22.5153 -9.52844 -58.103 -9.34705 26.8291 -9.30044 -57.2461 -10.1953 -13.7795 TIMING: 6200 CPU: 18.4686, 0.00293439/step Wall: 18.4686, 0.00293439/step, 4.07049 hours remaining, 196.000000 MB of memory in use. ENERGY: 6200 781.4699 2124.5383 1949.2116 105.2367 -206465.8951 17976.7755 0.0000 0.0000 34314.5628 -149214.1003 299.6776 -183528.6631 -149114.2979 299.0720 24.8222 59.9334 556849.2031 -3.1028 -3.1552 PRESSURE: 6400 109.743 79.7092 -117.982 79.7082 -71.2687 17.906 -117.983 17.9039 -183.622 GPRESSURE: 6400 135.349 173.998 -59.0191 51.0457 -21.9067 75.4465 -117.128 41.7986 -158.96 PRESSAVG: 6400 41.1201 24.2387 -16.1432 24.2386 -25.7656 53.0255 -16.1433 53.0256 27.7231 GPRESSAVG: 6400 41.0697 24.3137 -15.2294 24.1733 -26.4363 50.9769 -17.3091 54.8303 28.0761 TIMING: 6400 CPU: 19.0565, 0.00293929/step Wall: 19.0565, 0.00293929/step, 4.07713 hours remaining, 196.000000 MB of memory in use. ENERGY: 6400 727.5443 2156.4086 1969.2774 121.3503 -206491.7300 17777.8280 0.0000 0.0000 34311.3810 -149427.9403 299.6498 -183739.3214 -149330.2683 298.9948 -48.3828 -15.1724 557765.8919 14.3592 14.2365 PRESSURE: 6600 0.209401 73.9401 45.0288 73.9401 -92.9498 11.0603 45.0306 11.0596 51.2339 GPRESSURE: 6600 3.27982 131.4 47.2023 64.0359 -18.5369 18.7292 11.7902 -20.877 88.6964 PRESSAVG: 6600 41.0065 -29.5751 -27.1168 -29.5753 -55.3832 63.0264 -27.1169 63.0265 0.507661 GPRESSAVG: 6600 40.3991 -30.9913 -28.6002 -30.4802 -55.4547 65.3639 -25.5226 61.8459 0.401564 TIMING: 6600 CPU: 19.6472, 0.00295343/step Wall: 19.6472, 0.00295343/step, 4.09658 hours remaining, 196.000000 MB of memory in use. ENERGY: 6600 754.5943 2087.5367 1975.2448 114.6097 -205915.5733 17719.6249 0.0000 0.0000 34110.2041 -149153.7588 297.8929 -183263.9629 -149056.1784 299.1256 -13.8355 24.4798 557274.2061 -4.6230 -4.8847 PRESSURE: 6800 180.469 -17.0844 -56.6588 -17.0839 136.895 45.6727 -56.6581 45.6729 31.1249 GPRESSURE: 6800 269.356 -16.8743 -104.12 110.724 95.9196 35.4818 41.945 6.14851 72.5925 PRESSAVG: 6800 5.86919 -1.71193 -26.8144 -1.71196 -24.329 22.8234 -26.8144 22.8234 -1.69451 GPRESSAVG: 6800 7.47697 -0.110072 -27.7819 -0.568804 -24.2754 21.1917 -25.1262 21.0425 -2.82053 TIMING: 6800 CPU: 20.2412, 0.00297018/step Wall: 20.2412, 0.00297018/step, 4.11964 hours remaining, 196.000000 MB of memory in use. ENERGY: 6800 730.1841 2134.4076 1941.3705 115.3486 -206104.7706 17620.8579 0.0000 0.0000 34452.7891 -149109.8128 300.8848 -183562.6019 -149019.8287 299.1683 116.1629 145.9561 555131.3075 -6.7181 -6.5396 PRESSURE: 7000 119.112 -146.307 -71.036 -146.309 19.7329 3.01638 -71.0371 3.01777 -91.9263 GPRESSURE: 7000 176.911 -163.646 -77.1658 -211.797 4.11512 -61.8429 -72.3644 34.8568 -43.8021 PRESSAVG: 7000 37.8944 27.0707 -80.4769 27.0706 -21.6575 11.506 -80.4769 11.5059 -25.9614 GPRESSAVG: 7000 36.2261 26.8022 -79.5011 27.7167 -21.9582 11.7832 -82.0021 12.1908 -24.0558 TIMING: 7000 CPU: 20.8343, 0.00296545/step Wall: 20.8343, 0.00296545/step, 4.11292 hours remaining, 196.000000 MB of memory in use. ENERGY: 7000 753.3919 2103.2013 1973.2637 119.3328 -206086.7021 17631.3522 0.0000 0.0000 34159.4878 -149346.6724 298.3233 -183506.1602 -149251.2051 299.9724 15.6396 45.7413 557014.4479 -3.2415 -3.2626 PRESSURE: 7200 70.0293 118.548 -23.5062 118.55 -112.154 158.156 -23.5062 158.156 174.168 GPRESSURE: 7200 133.864 150.539 -1.1179 71.7954 -88.7807 229.728 -44.5779 144.946 178.671 PRESSAVG: 7200 39.4123 -17.3153 -43.7302 -17.3154 -8.36982 32.7856 -43.7301 32.7856 -27.3743 GPRESSAVG: 7200 39.2529 -16.6728 -42.5026 -17.4574 -6.98629 33.6017 -43.1623 34.466 -27.1724 TIMING: 7200 CPU: 21.4226, 0.00294167/step Wall: 21.4226, 0.00294167/step, 4.07977 hours remaining, 196.000000 MB of memory in use. ENERGY: 7200 727.9699 2110.9942 1939.7709 117.8546 -206084.3822 17625.5532 0.0000 0.0000 34184.7349 -149377.5044 298.5438 -183562.2393 -149284.2009 298.5359 44.0143 74.5851 555663.8922 1.2227 1.6981 PRESSURE: 7400 -49.4199 -49.7333 -47.2265 -49.7338 -153.008 79.2673 -47.2264 79.2682 -175.584 GPRESSURE: 7400 -51.3611 -114.106 -117.377 -29.1675 -83.6894 49.7337 -52.3356 90.1908 -147.383 PRESSAVG: 7400 -16.4024 -10.3497 -14.5221 -10.3498 31.7974 -29.5882 -14.522 -29.5882 17.024 GPRESSAVG: 7400 -15.5268 -10.9252 -15.6973 -8.54535 31.4683 -31.0887 -14.2197 -29.6081 16.2816 TIMING: 7400 CPU: 22.0143, 0.00295837/step Wall: 22.0143, 0.00295837/step, 4.10277 hours remaining, 196.000000 MB of memory in use. ENERGY: 7400 763.6313 2062.3005 1961.6257 114.4750 -206096.0111 17728.0097 0.0000 0.0000 34106.5643 -149359.4046 297.8611 -183465.9689 -149261.7376 298.4775 -126.0040 -94.1444 558604.3875 10.8063 10.7410 PRESSURE: 7600 -88.8134 -75.4651 -9.85895 -75.464 135.773 -98.7306 -9.85896 -98.7303 -17.89 GPRESSURE: 7600 -18.3702 -22.0722 -53.2192 -130.563 122.955 -140.709 -26.1865 -58.9682 19.4746 PRESSAVG: 7600 -13.7595 -18.4931 6.33307 -18.493 -72.4239 -9.00149 6.33302 -9.00147 37.4581 GPRESSAVG: 7600 -13.0183 -17.4694 6.22733 -20.6894 -73.6725 -9.44335 4.93313 -10.3306 38.0318 TIMING: 7600 CPU: 22.6042, 0.00294963/step Wall: 22.6042, 0.00294963/step, 4.09048 hours remaining, 196.000000 MB of memory in use. ENERGY: 7600 747.7346 2078.8750 1970.0691 121.6857 -206067.4852 17791.4605 0.0000 0.0000 34102.3762 -149255.2842 297.8245 -183357.6604 -149158.6387 298.5389 9.6900 41.3532 557793.6330 -16.2418 -16.2196 PRESSURE: 7800 -121.031 56.6007 141.289 56.6003 -57.3696 -19.8939 141.289 -19.8939 -348.977 GPRESSURE: 7800 -176.344 93.0437 151.408 14.3917 -38.0366 -66.5845 175.853 21.3589 -218.074 PRESSAVG: 7800 -18.4193 -3.64107 11.302 -3.64112 16.9496 19.8395 11.302 19.8394 -15.9567 GPRESSAVG: 7800 -18.3332 -2.84097 11.3833 -4.14487 16.9894 20.2929 11.3192 20.5853 -16.3001 TIMING: 7800 CPU: 23.191, 0.00293394/step Wall: 23.191, 0.00293394/step, 4.06857 hours remaining, 196.000000 MB of memory in use. ENERGY: 7800 746.0385 2089.3117 1937.7335 121.4291 -206000.3157 17543.8765 0.0000 0.0000 34262.9173 -149299.0091 299.2266 -183561.9264 -149201.5865 298.9285 -175.7925 -144.1515 558031.2588 -5.8088 -5.8813 PRESSURE: 8000 -92.721 102.445 96.8211 102.445 87.8848 -10.162 96.8199 -10.164 107.75 GPRESSURE: 8000 -86.8098 132.563 71.615 46.4137 165.042 40.6853 10.827 -55.7157 124.179 PRESSAVG: 8000 25.2158 -38.009 11.2038 -38.0089 9.81051 -11.8694 11.2038 -11.8694 -58.5803 GPRESSAVG: 8000 24.3972 -39.2104 12.4122 -36.5544 10.8875 -12.9466 12.4612 -11.16 -58.5655 TIMING: 8000 CPU: 23.7842, 0.00296607/step Wall: 23.7842, 0.00296607/step, 4.11295 hours remaining, 196.000000 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: 8000 716.2032 2041.9525 1940.2728 115.8208 -206095.9351 17996.7542 0.0000 0.0000 34046.5524 -149238.3793 297.3370 -183284.9317 -149137.6332 298.9068 34.3047 67.4703 557919.3383 -7.8513 -7.7603 PRESSURE: 8200 -9.96697 31.0486 33.6449 31.0511 -240.219 105.721 33.6445 105.719 -385.986 GPRESSURE: 8200 25.1369 7.06734 73.8817 59.6353 -202.063 108.491 -16.9889 202.613 -362.743 PRESSAVG: 8200 19.0227 -2.70236 5.05169 -2.70235 3.2964 21.8097 5.05174 21.8095 -26.1788 GPRESSAVG: 8200 18.57 -1.47355 5.1548 -4.74688 3.28385 23.7487 2.83776 21.617 -25.4022 TIMING: 8200 CPU: 24.3726, 0.00294167/step Wall: 24.3726, 0.00294167/step, 4.07895 hours remaining, 196.000000 MB of memory in use. ENERGY: 8200 757.4305 2031.2175 1949.7610 111.9744 -205594.2779 17548.2686 0.0000 0.0000 34185.7606 -149009.8653 298.5527 -183195.6259 -148910.1485 299.5296 -212.0574 -179.8897 558777.4603 -1.2866 -1.1828 LDB: ============= START OF LOAD BALANCING ============== 27.7942 LDB: ============== END OF LOAD BALANCING =============== 27.7944 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 27.796 LDB: ============= START OF LOAD BALANCING ============== 28.09 LDB: Largest compute 4848 load 0.027037 is 23.0% of average load 0.117408 LDB: Average compute 0.001736 is 1.5% of average load 0.117408 LDB: TIME 28.0923 LOAD: AVG 0.117408 MAX 0.196315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 195.555 MB LDB: TIME 28.0926 LOAD: AVG 0.117408 MAX 0.196315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.555 MB LDB: TIME 28.0927 LOAD: AVG 0.117408 MAX 0.196315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.555 MB LDB: ============== END OF LOAD BALANCING =============== 28.0948 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 28.0988 PRESSURE: 8400 -142.351 87.7751 -116.787 87.7767 -84.7817 35.7819 -116.786 35.7808 -493.536 GPRESSURE: 8400 -80.8178 76.6241 -238.258 160.068 -98.435 103.681 -0.392753 -38.8579 -452.83 PRESSAVG: 8400 -4.61597 46.5248 -66.7643 46.5248 33.9089 27.0496 -66.7643 27.0496 -42.7921 GPRESSAVG: 8400 -4.45356 44.5866 -66.2619 48.0536 34.8928 26.8527 -65.4191 27.0834 -43.7669 TIMING: 8400 CPU: 24.9691, 0.00298261/step Wall: 24.9691, 0.00298261/step, 4.13555 hours remaining, 198.699219 MB of memory in use. ENERGY: 8400 759.9165 2087.7477 1972.3189 110.1186 -205667.2502 17481.8721 0.0000 0.0000 34348.2882 -148906.9882 299.9721 -183255.2764 -148814.1993 299.4221 -240.2228 -210.6941 557970.6026 -4.4997 -4.4425 PRESSURE: 8600 -204.037 -105.714 -56.9142 -105.713 -138.262 15.6153 -56.9134 15.6154 165.688 GPRESSURE: 8600 -212.351 -90.6536 -72.6598 -114.013 4.09307 4.59839 -48.7365 48.4093 139.836 PRESSAVG: 8600 -51.2667 -46.2179 -54.9506 -46.2178 38.0782 48.0202 -54.9507 48.0202 2.09302 GPRESSAVG: 8600 -51.3743 -46.7533 -56.4311 -45.8913 36.9075 48.0361 -54.4178 46.766 3.453 TIMING: 8600 CPU: 25.5593, 0.00295113/step Wall: 25.5593, 0.00295113/step, 4.09174 hours remaining, 198.769531 MB of memory in use. ENERGY: 8600 724.7685 2064.1159 1982.2385 108.7417 -205584.9583 17697.3763 0.0000 0.0000 34196.1688 -148811.5485 298.6436 -183007.7173 -148718.0850 299.6402 -58.8705 -22.8072 559901.4360 -3.6985 -3.6712 PRESSURE: 8800 -59.5347 -150.205 -181.833 -150.204 -96.9419 57.0957 -181.832 57.0956 -284.597 GPRESSURE: 8800 -36.0166 -157.273 -132.694 -98.7007 -81.4128 79.5473 -202.059 33.344 -224.272 PRESSAVG: 8800 30.2407 -34.3832 -39.169 -34.3832 -18.1389 42.8037 -39.1691 42.8037 16.2429 GPRESSAVG: 8800 30.9462 -33.5575 -38.9935 -34.0773 -17.0362 41.7419 -41.5312 44.7663 14.0883 TIMING: 8800 CPU: 26.1547, 0.00297694/step Wall: 26.1547, 0.00297694/step, 4.12736 hours remaining, 198.769531 MB of memory in use. ENERGY: 8800 755.0117 2101.0545 1954.8378 115.6597 -205983.2941 17651.4218 0.0000 0.0000 34459.4840 -148945.8246 300.9432 -183405.3086 -148847.0701 299.5380 -147.0247 -113.9005 559375.5961 9.4482 9.3328 PRESSURE: 9000 -382.633 -155.402 -127.612 -155.402 -230.91 -54.071 -127.611 -54.0721 -115.165 GPRESSURE: 9000 -374.98 -119.014 -89.1566 -166.897 -177.357 -20.9693 -115.528 -20.7286 -84.5108 PRESSAVG: 9000 40.3152 10.3974 -17.2518 10.3974 -37.5623 -35.5474 -17.2518 -35.5474 -7.24817 GPRESSAVG: 9000 39.4533 10.4325 -16.8831 10.9138 -38.7307 -34.9602 -15.7664 -36.4645 -5.85776 TIMING: 9000 CPU: 26.7552, 0.00300268/step Wall: 26.7552, 0.00300268/step, 4.16288 hours remaining, 198.769531 MB of memory in use. ENERGY: 9000 754.8511 2087.9320 1950.1701 115.3233 -205282.2281 17431.5508 0.0000 0.0000 34082.5981 -148859.8027 297.6518 -182942.4008 -148759.3036 300.2410 -242.9029 -212.2827 560149.3971 -1.4984 -1.7117 PRESSURE: 9200 -43.0741 -45.0668 -4.89848 -45.068 109.08 -155.841 -4.89865 -155.841 60.1617 GPRESSURE: 9200 -20.7212 29.5104 35.0486 -97.5949 121.772 -209.482 -47.8382 -172.542 115.579 PRESSAVG: 9200 33.6219 -65.0771 -38.5895 -65.0771 30.1284 -21.5509 -38.5895 -21.551 -73.6489 GPRESSAVG: 9200 33.2746 -65.1716 -39.088 -64.9295 30.1125 -21.8509 -39.8583 -22.6713 -73.4307 TIMING: 9200 CPU: 27.3504, 0.00297576/step Wall: 27.3504, 0.00297576/step, 4.1254 hours remaining, 198.769531 MB of memory in use. ENERGY: 9200 733.6293 2089.5477 1931.2441 100.8008 -206008.3487 17770.9413 0.0000 0.0000 34362.8572 -149019.3283 300.0994 -183382.1855 -148929.3211 300.7261 42.0560 72.2099 555792.1808 -3.2995 -3.3478 PRESSURE: 9400 161.148 -55.5917 -102.421 -55.5912 238.222 -184.609 -102.421 -184.61 49.3767 GPRESSURE: 9400 212.878 -13.6794 -101.252 -125.982 259.1 -223.01 -99.0288 -112.904 77.9233 PRESSAVG: 9400 26.7842 5.09022 -5.29892 5.09025 43.3592 20.5204 -5.29884 20.5204 -50.7378 GPRESSAVG: 9400 27.2973 4.86973 -4.69212 3.75288 44.1734 21.9391 -3.05997 20.196 -52.0818 TIMING: 9400 CPU: 27.9455, 0.00297572/step Wall: 27.9455, 0.00297572/step, 4.12518 hours remaining, 198.769531 MB of memory in use. ENERGY: 9400 746.8171 2079.8248 1952.7234 110.7987 -206040.9917 17975.1567 0.0000 0.0000 34152.6563 -149023.0147 298.2636 -183175.6710 -148925.6537 299.5592 149.5822 183.3006 557723.1770 6.4685 6.4630 PRESSURE: 9600 -8.8062 55.4591 -8.83573 55.4605 51.3629 -164.643 -8.8354 -164.644 52.1487 GPRESSURE: 9600 39.9407 18.2773 -85.7234 33.8374 63.3737 -187.811 -121.193 -212.496 76.6862 PRESSAVG: 9600 47.4751 14.185 -45.1778 14.1851 -0.200966 34.2516 -45.1779 34.2516 -7.84375 GPRESSAVG: 9600 48.441 15.088 -46.6644 11.8386 -1.19051 34.234 -46.6391 34.6744 -8.07943 TIMING: 9600 CPU: 28.5359, 0.00295171/step Wall: 28.5359, 0.00295171/step, 4.09172 hours remaining, 198.769531 MB of memory in use. ENERGY: 9600 698.3556 2103.3544 1918.7338 120.5238 -206086.1936 17768.9334 0.0000 0.0000 34431.2104 -149045.0823 300.6963 -183476.2927 -148943.3243 300.1311 31.5685 60.0002 559388.2063 13.1434 13.0570 PRESSURE: 9800 -93.2744 56.0183 -56.912 56.0177 70.9638 3.74866 -56.9123 3.75014 186.66 GPRESSURE: 9800 -60.1866 27.9674 27.4514 20.5324 95.6097 -2.808 -79.5462 -8.45885 229.443 PRESSAVG: 9800 -40.5077 -19.1918 -43.9644 -19.1918 -18.6343 24.8057 -43.9644 24.8056 5.8416 GPRESSAVG: 9800 -40.7475 -18.853 -43.236 -18.174 -18.4511 25.9335 -43.7806 24.2928 5.87569 TIMING: 9800 CPU: 29.1255, 0.00294804/step Wall: 29.1255, 0.00294804/step, 4.08648 hours remaining, 198.769531 MB of memory in use. ENERGY: 9800 739.5414 2130.6047 1957.7704 125.9897 -206633.9433 18134.3118 0.0000 0.0000 34385.5857 -149160.1395 300.2979 -183545.7253 -149061.6329 299.8538 54.7830 88.2886 559675.9999 -17.7668 -17.7743 PRESSURE: 10000 10.1521 -115.863 -75.9955 -115.863 -173.409 28.3598 -75.9961 28.3598 -214.485 GPRESSURE: 10000 25.1978 -93.4554 -0.717777 -34.9574 -147.864 52.7395 -59.9624 -30.6167 -170.196 PRESSAVG: 10000 -13.6538 4.38914 4.66528 4.38903 24.0054 51.9158 4.66522 51.9157 37.8994 GPRESSAVG: 10000 -14.6843 3.5546 7.17039 4.7936 24.2078 51.854 2.50505 52.7609 38.9552 TIMING: 10000 CPU: 29.7152, 0.00294851/step Wall: 29.7152, 0.00294851/step, 4.08697 hours remaining, 198.769531 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: 10000 774.0171 2082.5364 1940.0040 102.4755 -206126.0054 17721.6046 0.0000 0.0000 34064.1694 -149441.1985 297.4909 -183505.3679 -149342.8616 298.8220 -125.9138 -97.6207 558164.6856 16.0836 16.1596 PRESSURE: 10200 -16.8514 -68.9774 -173.248 -68.9765 -284.079 -105.254 -173.248 -105.255 -73.287 GPRESSURE: 10200 2.83894 47.0022 -180.447 -181.52 -243.928 -108.93 -143.642 -30.2556 -28.1803 PRESSAVG: 10200 28.9137 10.318 -43.1553 10.3178 0.424499 -0.471433 -43.1553 -0.471345 -46.5035 GPRESSAVG: 10200 29.4817 10.3737 -47.3726 10.9488 -0.462085 -1.88757 -40.2629 0.627674 -46.4809 TIMING: 10200 CPU: 30.3043, 0.00294586/step Wall: 30.3043, 0.00294586/step, 4.08312 hours remaining, 198.769531 MB of memory in use. ENERGY: 10200 751.0606 2055.0712 1950.4098 101.3560 -206303.1435 17644.9352 0.0000 0.0000 34418.2971 -149382.0135 300.5835 -183800.3106 -149283.5690 298.5849 -124.7390 -89.7565 557982.2377 -5.7218 -5.8204 PRESSURE: 10400 123.698 9.99346 124.165 9.99352 -102.004 49.7929 124.165 49.7951 13.8927 GPRESSURE: 10400 199.582 83.9302 132.69 -32.1629 -41.6257 30.1381 167.89 0.438977 -9.30618 PRESSAVG: 10400 -38.3104 -12.5422 46.8045 -12.5422 21.7033 33.2136 46.8045 33.2136 -9.34569 GPRESSAVG: 10400 -39.2148 -9.81203 48.8833 -14.575 22.9864 33.6706 44.4313 32.5598 -9.61422 TIMING: 10400 CPU: 30.8965, 0.00296059/step Wall: 30.8965, 0.00296059/step, 4.10338 hours remaining, 198.769531 MB of memory in use. ENERGY: 10400 779.4354 2070.1950 1951.3944 120.9609 -206700.7054 18204.2953 0.0000 0.0000 34173.6422 -149400.7822 298.4469 -183574.4244 -149297.9299 298.9575 11.8624 49.5499 558839.6215 -8.6509 -8.6142 PRESSURE: 10600 33.3098 15.15 -141.652 15.1487 -104.233 -57.224 -141.652 -57.2232 226.51 GPRESSURE: 10600 67.136 54.322 -185.409 -6.97809 -57.5176 -80.2611 -65.4313 -69.9392 243.882 PRESSAVG: 10600 -31.3567 1.03822 -17.0024 1.03817 -15.1238 24.5513 -17.0024 24.5512 36.7798 GPRESSAVG: 10600 -30.6131 -1.82491 -19.0436 1.64621 -16.2059 24.7562 -16.0261 24.908 36.872 TIMING: 10600 CPU: 31.4883, 0.00295894/step Wall: 31.4883, 0.00295894/step, 4.10092 hours remaining, 198.769531 MB of memory in use. ENERGY: 10600 724.8644 2098.1706 1958.3645 124.6519 -206906.3788 18183.0523 0.0000 0.0000 34320.8652 -149496.4099 299.7327 -183817.2751 -149396.7611 298.2136 51.8625 84.5002 558691.0684 -3.2336 -3.3157 PRESSURE: 10800 292.584 -128.325 -190.725 -128.325 62.0768 -19.3695 -190.726 -19.3693 -19.5854 GPRESSURE: 10800 243.634 -15.6313 -248.793 -158.333 124.277 112.344 -171.073 -72.9564 67.8912 PRESSAVG: 10800 -19.8871 -49.0856 -23.6571 -49.0855 -20.1899 48.1497 -23.6571 48.1497 0.141164 GPRESSAVG: 10800 -20.214 -48.6643 -23.3965 -48.3769 -20.1337 47.576 -22.3071 47.5973 0.164344 TIMING: 10800 CPU: 32.0759, 0.00293812/step Wall: 32.0759, 0.00293812/step, 4.0719 hours remaining, 198.769531 MB of memory in use. ENERGY: 10800 708.7789 2097.1555 1965.9538 128.1527 -206629.9950 17904.1499 0.0000 0.0000 34352.8215 -149472.9827 300.0117 -183825.8042 -149369.5379 298.2201 111.6919 145.2671 556076.4382 -13.3120 -13.3945 PRESSURE: 11000 91.9436 -33.7747 -80.4448 -33.7755 145.941 -296.259 -80.4459 -296.258 -74.5346 GPRESSURE: 11000 115.143 24.7918 -64.516 -17.7959 116.035 -273.088 -65.2484 -229.065 23.3937 PRESSAVG: 11000 41.0163 17.8341 5.32674 17.8341 -7.81051 -16.6468 5.32671 -16.6468 -16.0808 GPRESSAVG: 11000 41.51 18.6901 5.81883 17.891 -7.52814 -18.5408 3.20588 -14.7832 -17.3509 TIMING: 11000 CPU: 32.6642, 0.00294151/step Wall: 32.6642, 0.00294151/step, 4.07644 hours remaining, 198.769531 MB of memory in use. ENERGY: 11000 760.0270 2144.7839 1941.7935 114.0441 -206511.8038 17881.7971 0.0000 0.0000 34189.6342 -149479.7240 298.5866 -183669.3583 -149382.1497 298.3863 54.4499 84.8574 555235.9903 5.7083 5.5437 PRESSURE: 11200 158.099 -97.0314 151.029 -97.0322 206.473 96.5669 151.03 96.5672 301.865 GPRESSURE: 11200 181.609 -148.765 181.834 -108.769 271.077 23.1686 106.475 121.476 301.288 PRESSAVG: 11200 31.2609 15.2822 11.8828 15.2822 -37.5088 -46.9566 11.8828 -46.9568 22.3268 GPRESSAVG: 11200 30.7604 13.5068 13.6644 15.604 -36.8173 -47.6725 12.0459 -49.0209 22.3531 TIMING: 11200 CPU: 33.2485, 0.00292163/step Wall: 33.2485, 0.00292163/step, 4.04872 hours remaining, 198.769531 MB of memory in use. ENERGY: 11200 727.2230 2090.6829 1966.3138 107.5712 -206547.3425 18094.5853 0.0000 0.0000 34100.5302 -149460.4362 297.8084 -183560.9663 -149363.3513 298.4940 222.1454 251.3246 555045.3986 5.3597 5.4320 PRESSURE: 11400 -16.1879 -21.3991 23.3954 -21.3985 -156.461 59.6005 23.3951 59.6011 90.9148 GPRESSURE: 11400 49.2991 36.6557 65.3406 -119.318 -93.5898 -89.7375 96.6225 142.652 71.3441 PRESSAVG: 11400 -1.87808 9.49578 -23.7775 9.49577 -93.7154 26.4429 -23.7776 26.443 91.2835 GPRESSAVG: 11400 -0.914823 10.4074 -25.3928 7.67059 -93.2107 26.2591 -22.3053 27.709 89.7443 TIMING: 11400 CPU: 33.8385, 0.00295012/step Wall: 33.8385, 0.00295012/step, 4.08805 hours remaining, 198.769531 MB of memory in use. ENERGY: 11400 768.9250 2129.5258 1928.5856 109.6755 -206273.3184 17684.1562 0.0000 0.0000 34137.6341 -149514.8162 298.1324 -183652.4504 -149417.2867 298.4196 -27.2447 9.0178 556643.2619 -1.4367 -1.4604 PRESSURE: 11600 220.981 119.165 66.9957 119.165 -99.7452 32.4163 66.9952 32.416 148.67 GPRESSURE: 11600 287.406 225.636 8.41899 -4.99175 -100.843 58.538 45.9234 -70.6009 184.386 PRESSAVG: 11600 19.4714 -3.93801 14.4733 -3.93802 -59.7858 -16.6087 14.4733 -16.6087 36.6066 GPRESSAVG: 11600 19.1704 -4.64174 15.156 -1.48526 -60.7624 -17.0517 14.0482 -17.6268 38.309 TIMING: 11600 CPU: 34.4262, 0.00293814/step Wall: 34.4262, 0.00293814/step, 4.07129 hours remaining, 198.769531 MB of memory in use. ENERGY: 11600 742.4347 2071.7109 1956.2953 116.2988 -206633.3380 18201.9194 0.0000 0.0000 34152.1405 -149392.5384 298.2591 -183544.6789 -149287.1434 298.1585 89.9685 123.6498 557905.4479 -1.2359 -1.0943 PRESSURE: 11800 -111.105 -51.2929 57.2913 -51.2938 -269.308 -6.0943 57.2904 -6.09403 53.6685 GPRESSURE: 11800 -68.1808 -31.4519 101.894 -54.352 -244.797 -20.7331 -31.3085 -29.0788 95.5056 PRESSAVG: 11800 -0.212184 34.134 81.6229 34.1341 -9.33676 11.9631 81.623 11.9631 -2.90936 GPRESSAVG: 11800 0.827561 34.9121 81.5277 32.5057 -9.82955 15.6292 82.2286 11.1261 -2.94967 TIMING: 11800 CPU: 35.0177, 0.00295788/step Wall: 35.0177, 0.00295788/step, 4.09847 hours remaining, 198.769531 MB of memory in use. ENERGY: 11800 724.1655 2047.5754 1951.4131 101.4836 -206230.6886 17812.1757 0.0000 0.0000 34143.5510 -149450.3242 298.1841 -183593.8752 -149354.7966 297.9852 -108.9150 -72.4909 556947.1868 -4.1528 -3.9839 PRESSURE: 12000 -196.242 -70.673 102.815 -70.6727 -66.9941 47.6065 102.815 47.6076 -21.2598 GPRESSURE: 12000 -188.841 -120.371 61.8363 -18.3477 8.75383 21.1275 67.0779 65.8114 -14.6089 PRESSAVG: 12000 13.939 -15.0867 58.0491 -15.0868 5.84089 19.9043 58.0491 19.9043 23.5812 GPRESSAVG: 12000 11.4661 -15.1665 56.1662 -13.3374 6.89648 17.8423 59.1402 22.3755 25.0991 TIMING: 12000 CPU: 35.609, 0.00295619/step Wall: 35.609, 0.00295619/step, 4.09597 hours remaining, 198.769531 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: 12000 776.9258 2107.4208 1947.7676 108.9778 -206545.9168 17926.0578 0.0000 0.0000 34264.4285 -149414.3386 299.2398 -183678.7670 -149317.7402 298.1855 -94.8321 -64.8987 558433.5194 14.4537 14.4872 PRESSURE: 12200 -58.6085 150.738 5.3924 150.736 -5.38294 -106.067 5.39316 -106.066 -44.6841 GPRESSURE: 12200 -40.5712 71.6678 -69.347 191.875 28.2726 -84.0933 48.6183 -112.823 -3.3266 PRESSAVG: 12200 -11.8081 1.23035 32.4095 1.23032 -10.4586 -14.3832 32.4095 -14.3831 43.6312 GPRESSAVG: 12200 -10.2924 0.4159 32.4995 -0.148413 -11.0638 -15.3916 30.5431 -15.0053 42.6376 TIMING: 12200 CPU: 36.2082, 0.00299626/step Wall: 36.2082, 0.00299626/step, 4.15131 hours remaining, 198.769531 MB of memory in use. ENERGY: 12200 799.9716 2057.2319 1985.9959 110.3253 -206496.7224 18054.4705 0.0000 0.0000 34174.8557 -149313.8716 298.4575 -183488.7273 -149217.4412 298.6289 -36.2252 -5.2084 558500.0431 7.1215 7.0938 LDB: ============= START OF LOAD BALANCING ============== 39.6364 LDB: ============== END OF LOAD BALANCING =============== 39.6366 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 39.6384 LDB: ============= START OF LOAD BALANCING ============== 39.9353 LDB: Largest compute 4848 load 0.025565 is 21.8% of average load 0.117356 LDB: Average compute 0.001731 is 1.5% of average load 0.117356 LDB: TIME 39.9376 LOAD: AVG 0.117356 MAX 0.197139 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 195.613 MB LDB: TIME 39.9379 LOAD: AVG 0.117356 MAX 0.197139 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.613 MB LDB: TIME 39.938 LOAD: AVG 0.117356 MAX 0.197139 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 195.613 MB LDB: ============== END OF LOAD BALANCING =============== 39.9399 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 39.944 PRESSURE: 12400 26.1633 125.074 43.4615 125.076 -139.132 48.4803 43.462 48.481 -34.6462 GPRESSURE: 12400 30.3983 231.86 78.5901 142.79 -115.112 9.06462 61.2843 -1.04342 32.6223 PRESSAVG: 12400 34.1945 23.324 52.0326 23.324 -69.7372 -29.786 52.0326 -29.786 8.84147 GPRESSAVG: 12400 33.5982 24.0772 52.1162 23.3197 -68.3356 -29.0205 53.6367 -30.1103 7.97988 TIMING: 12400 CPU: 36.8144, 0.00303085/step Wall: 36.8144, 0.00303085/step, 4.19908 hours remaining, 196.261719 MB of memory in use. ENERGY: 12400 760.5497 2107.9681 1968.2587 109.8454 -206323.9418 17782.8716 0.0000 0.0000 34251.0976 -149343.3507 299.1234 -183594.4484 -149250.0158 298.9580 -49.2051 -17.3636 556914.4734 -8.9004 -8.9192 PRESSURE: 12600 -78.0003 -181.519 -47.953 -181.518 -180.228 112.721 -47.9521 112.722 -141.706 GPRESSURE: 12600 -62.3914 -205.106 -8.26382 -215.385 -175.413 161.762 -41.1513 63.1574 -78.7008 PRESSAVG: 12600 25.1327 -17.9711 47.2604 -17.971 -14.0704 79.0496 47.2604 79.0496 -32.1465 GPRESSAVG: 12600 25.3243 -18.4659 48.9278 -17.2816 -15.4575 79.0734 47.3395 76.8 -31.6468 TIMING: 12600 CPU: 37.4064, 0.00295998/step Wall: 37.4064, 0.00295998/step, 4.10072 hours remaining, 196.460938 MB of memory in use. ENERGY: 12600 754.4991 2035.1918 1940.1536 122.7516 -206027.4382 17572.7582 0.0000 0.0000 34185.5277 -149416.5562 298.5507 -183602.0839 -149316.6093 298.8098 -133.3113 -105.5016 557468.1115 -7.0281 -7.2600 PRESSURE: 12800 -70.4966 2.04006 -96.0111 2.03751 159.854 89.236 -96.0103 89.2375 18.977 GPRESSURE: 12800 -114.779 30.5733 -125.367 -50.224 245.364 139.279 -9.87916 36.9245 76.7377 PRESSAVG: 12800 28.3817 -18.6911 -35.5901 -18.6911 -37.3213 -3.1876 -35.5901 -3.18761 37.5318 GPRESSAVG: 12800 27.9078 -19.0393 -35.0536 -19.0216 -36.68 -1.72895 -36.3515 -1.39446 37.2575 TIMING: 12800 CPU: 37.9952, 0.00294397/step Wall: 37.9952, 0.00294397/step, 4.07838 hours remaining, 196.460938 MB of memory in use. ENERGY: 12800 749.2013 2075.5646 1955.0208 108.7403 -206478.8736 17907.9320 0.0000 0.0000 34307.2886 -149375.1260 299.6141 -183682.4145 -149277.7398 298.4231 36.1114 69.1076 556512.1238 9.5307 9.4951 PRESSURE: 13000 62.7542 -169.05 49.7155 -169.051 -255.863 -76.6646 49.7155 -76.6651 -199.542 GPRESSURE: 13000 77.3973 -161.224 88.9496 -138.421 -235.442 -61.3809 40.6815 -76.252 -142.368 PRESSAVG: 13000 21.6539 -32.7185 36.1402 -32.7185 21.1287 18.536 36.1402 18.5359 -24.3264 GPRESSAVG: 13000 21.7146 -30.4966 36.1502 -35.1972 21.1207 17.2328 37.1638 17.9749 -24.2835 TIMING: 13000 CPU: 38.5879, 0.00296375/step Wall: 38.5879, 0.00296375/step, 4.10561 hours remaining, 196.460938 MB of memory in use. ENERGY: 13000 746.3680 2106.0227 1982.4474 109.0006 -206236.8864 17667.9905 0.0000 0.0000 34239.9390 -149385.1182 299.0259 -183625.0572 -149284.1668 298.5356 -130.8835 -100.1378 557850.7316 6.1521 6.1839 PRESSURE: 13200 -185.568 86.6929 153.585 86.6935 144.446 28.5235 153.585 28.5222 45.6782 GPRESSURE: 13200 -129.706 97.5197 105.61 120.061 205.261 -19.6005 164.51 21.0012 45.4014 PRESSAVG: 13200 32.0952 -32.5213 -4.92522 -32.5214 -0.840805 24.6436 -4.92527 24.6436 -29.6626 GPRESSAVG: 13200 32.8576 -34.4633 -7.47764 -30.4846 -1.55142 25.3429 -6.14113 23.5991 -29.9906 TIMING: 13200 CPU: 39.1799, 0.00295972/step Wall: 39.1799, 0.00295972/step, 4.09987 hours remaining, 196.515625 MB of memory in use. ENERGY: 13200 817.9002 2103.8012 1943.6239 104.5159 -206247.5015 17910.8468 0.0000 0.0000 34054.7051 -149312.1084 297.4082 -183366.8135 -149212.8040 299.2601 1.5190 40.3191 556456.0198 0.5306 0.4385 PRESSURE: 13400 -45.4689 130.153 -6.61656 130.153 -70.6231 153.706 -6.61607 153.707 -104.655 GPRESSURE: 13400 21.5218 74.7602 -33.1584 219.589 -68.75 152.841 0.369052 70.2883 -83.6247 PRESSAVG: 13400 77.8028 -26.2328 44.7174 -26.2329 -11.8464 26.9318 44.7175 26.9319 -38.7881 GPRESSAVG: 13400 77.5975 -25.283 47.4957 -26.5563 -12.1601 26.4164 45.0083 28.7913 -38.3145 TIMING: 13400 CPU: 39.7714, 0.00295758/step Wall: 39.7714, 0.00295758/step, 4.09675 hours remaining, 196.515625 MB of memory in use. ENERGY: 13400 791.2428 2117.2210 1967.6526 123.1427 -206367.8924 17853.6293 0.0000 0.0000 34208.1381 -149306.8659 298.7482 -183515.0039 -149211.2931 299.1036 -73.5824 -43.6176 558096.5205 9.0561 9.0410 PRESSURE: 13600 90.5548 -73.908 20.4156 -73.9083 -277.82 -126.34 20.4166 -126.339 41.9888 GPRESSURE: 13600 108.191 -234.376 65.7906 -2.35216 -229.269 -85.762 -17.0848 -168.719 69.4701 PRESSAVG: 13600 7.64657 -7.04672 -14.2685 -7.04682 -9.0481 4.04172 -14.2685 4.04165 15.4308 GPRESSAVG: 13600 7.14644 -9.64803 -15.6754 -5.55798 -9.15617 2.82661 -13.4259 2.91693 15.9679 TIMING: 13600 CPU: 40.3622, 0.00295399/step Wall: 40.3622, 0.00295399/step, 4.09161 hours remaining, 196.515625 MB of memory in use. ENERGY: 13600 760.1805 2079.2736 1968.3309 109.0323 -206131.6744 17658.7101 0.0000 0.0000 34216.7887 -149339.3583 298.8237 -183556.1469 -149240.8307 298.8633 -48.4254 -17.2026 557224.3860 4.6764 4.6527 PRESSURE: 13800 196.167 -67.0805 100.674 -67.081 130.285 173.794 100.675 173.794 -65.2231 GPRESSURE: 13800 225.428 -47.1692 197.696 -76.0199 116.385 181.812 -4.47851 168.746 16.6942 PRESSAVG: 13800 -6.01691 2.0692 31.883 2.06915 -13.6532 51.9521 31.8831 51.9522 12.003 GPRESSAVG: 13800 -5.65905 4.2342 31.0651 1.54407 -13.5857 54.0069 31.3588 51.3456 11.0977 TIMING: 13800 CPU: 40.9535, 0.00295666/step Wall: 40.9535, 0.00295666/step, 4.09514 hours remaining, 196.515625 MB of memory in use. ENERGY: 13800 744.5959 2141.3720 1960.6467 115.4099 -206250.2465 17818.7520 0.0000 0.0000 34180.1136 -149289.3563 298.5034 -183469.4699 -149191.6940 299.0931 87.0762 119.5026 555697.0917 -2.5557 -2.7157 PRESSURE: 14000 -231.917 52.214 -167.602 52.2145 -120.646 -46.5879 -167.601 -46.5882 -162.157 GPRESSURE: 14000 -147.104 26.6738 -141.157 49.9668 -128.364 -50.514 -177.885 -2.51198 -138.788 PRESSAVG: 14000 -11.1863 -32.7812 -13.7235 -32.7812 -4.80076 75.8201 -13.7235 75.8201 58.1075 GPRESSAVG: 14000 -11.0177 -33.2003 -13.5658 -35.2729 -5.14002 73.4339 -14.3357 78.8787 57.8335 TIMING: 14000 CPU: 41.5483, 0.00297389/step Wall: 41.5483, 0.00297389/step, 4.11883 hours remaining, 196.515625 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: 14000 750.4463 2133.8570 1940.2137 108.6924 -206376.8344 17674.3285 0.0000 0.0000 34387.5962 -149381.7005 300.3154 -183769.2966 -149276.4282 298.9947 -171.5734 -138.0856 558318.6653 14.0402 13.8919 PRESSURE: 14200 -1.83771 59.8705 -154.29 59.8704 107.707 -114.989 -154.291 -114.99 25.5019 GPRESSURE: 14200 15.944 11.0401 -96.1153 -19.6293 116.953 -123.249 -140.473 -51.7405 82.7365 PRESSAVG: 14200 -10.7232 36.0865 -18.8863 36.0865 -1.23938 -8.28868 -18.8863 -8.28871 -17.3263 GPRESSAVG: 14200 -10.4976 34.4195 -19.3476 36.745 -1.33729 -7.62645 -17.884 -10.5923 -17.5463 TIMING: 14200 CPU: 42.146, 0.00298856/step Wall: 42.146, 0.00298856/step, 4.139 hours remaining, 196.515625 MB of memory in use. ENERGY: 14200 758.4683 2114.1444 1980.0049 120.5574 -206435.6746 17899.3391 0.0000 0.0000 34229.0717 -149334.0887 298.9310 -183563.1604 -149239.3589 299.1816 43.7903 71.8777 557701.8290 -9.7630 -9.7937 PRESSURE: 14400 -42.8651 -96.6593 -72.2441 -96.6595 -242.247 -128.831 -72.2432 -128.83 -83.4463 GPRESSURE: 14400 -17.4035 -77.2677 -30.0157 -75.7824 -231.343 -190.8 -77.6486 -102.099 -18.1317 PRESSAVG: 14400 14.7304 -54.9917 -48.5275 -54.9916 30.7567 3.98562 -48.5276 3.98577 38.6583 GPRESSAVG: 14400 13.5547 -53.5319 -47.3497 -55.9741 30.4238 3.48976 -48.6962 3.86816 40.461 TIMING: 14400 CPU: 42.7359, 0.00294963/step Wall: 42.7359, 0.00294963/step, 4.08491 hours remaining, 196.515625 MB of memory in use. ENERGY: 14400 774.9927 2044.1188 1945.7609 122.0316 -206235.9072 17726.3745 0.0000 0.0000 34440.0232 -149182.6055 300.7733 -183622.6287 -149093.6362 299.5052 -122.8528 -88.9595 557125.8188 28.0485 28.1465 PRESSURE: 14600 58.6535 -64.0211 98.717 -64.0209 187.709 128.724 98.7181 128.723 -125.653 GPRESSURE: 14600 33.3083 33.9264 79.7109 -120.292 278.269 180.564 112.708 79.379 -91.2514 PRESSAVG: 14600 -35.156 -43.3623 12.8279 -43.3623 -7.25063 42.934 12.8279 42.9341 79.2852 GPRESSAVG: 14600 -35.2142 -43.9023 13.2389 -40.4772 -5.94772 43.9714 13.3299 42.6505 77.9433 TIMING: 14600 CPU: 43.3262, 0.0029515/step Wall: 43.3262, 0.0029515/step, 4.08733 hours remaining, 196.515625 MB of memory in use. ENERGY: 14600 711.1332 2067.2320 1942.4692 109.8771 -206329.5360 17727.9564 0.0000 0.0000 34544.7703 -149226.0978 301.6881 -183770.8681 -149121.4419 299.0565 40.2362 73.4418 556710.7292 12.2929 12.2605 PRESSURE: 14800 70.4926 115.54 -64.1528 115.539 -196.299 -45.8072 -64.1511 -45.8068 161.448 GPRESSURE: 14800 118.097 17.913 -74.5598 132.257 -196.144 -43.6409 12.8916 -46.7822 206.206 PRESSAVG: 14800 24.171 -0.396947 -0.434837 -0.396934 -8.83047 12.9019 -0.434861 12.9019 38.4321 GPRESSAVG: 14800 24.8492 0.479307 -2.70562 -2.49411 -9.21792 12.3948 0.62685 14.7908 38.3546 TIMING: 14800 CPU: 43.918, 0.00295903/step Wall: 43.918, 0.00295903/step, 4.0976 hours remaining, 196.515625 MB of memory in use. ENERGY: 14800 782.1873 2090.1927 1939.2459 121.3729 -206621.2360 18019.4748 0.0000 0.0000 34362.3311 -149306.4314 300.0948 -183668.7625 -149223.0898 299.6425 11.8805 42.7200 557197.3264 17.9242 17.9953 PRESSURE: 15000 170.232 -126.988 12.9849 -126.988 -79.4445 -57.5434 12.9847 -57.5428 -323.6 GPRESSURE: 15000 191.022 -153.619 -55.3621 -73.7408 -69.745 -41.3626 41.0237 28.6926 -255.163 PRESSAVG: 15000 51.54 14.3064 -3.55884 14.3065 -17.4605 -26.1736 -3.55888 -26.1737 -32.1759 GPRESSAVG: 15000 51.2952 13.4389 -1.9667 13.7065 -18.0788 -25.0909 -3.5907 -27.2461 -31.5395 TIMING: 15000 CPU: 44.5073, 0.00294644/step Wall: 44.5073, 0.00294644/step, 4.08 hours remaining, 196.515625 MB of memory in use. ENERGY: 15000 738.4520 2060.0786 1967.7404 119.9544 -205929.7589 17655.6340 0.0000 0.0000 34071.7904 -149316.1091 297.5574 -183387.8995 -149218.6088 298.7264 -77.6041 -44.6285 558233.8073 0.6345 0.5590 PRESSURE: 15200 -25.6327 83.2078 12.2136 83.2081 -131.978 35.3097 12.2143 35.3095 -173.811 GPRESSURE: 15200 -20.7451 89.4134 -33.5708 4.54607 -133.437 90.9172 -43.2741 -27.4666 -86.2102 PRESSAVG: 15200 64.9514 30.8349 -9.55758 30.835 -3.13415 10.6341 -9.55761 10.6341 -56.487 GPRESSAVG: 15200 65.2973 35.8145 -11.1751 30.2632 -2.37902 12.3203 -8.65176 10.6683 -57.1958 TIMING: 15200 CPU: 45.095, 0.0029383/step Wall: 45.095, 0.0029383/step, 4.06856 hours remaining, 196.515625 MB of memory in use. ENERGY: 15200 754.5250 2057.2899 1951.9143 102.5921 -206404.6855 17950.5812 0.0000 0.0000 34024.6613 -149563.1216 297.1458 -183587.7829 -149471.2585 298.1435 -110.4737 -80.1306 557892.3974 1.7768 1.9075 PRESSURE: 15400 162.905 -1.00603 12.5378 -1.00622 84.8006 4.01171 12.5377 4.01272 -112.281 GPRESSURE: 15400 197.163 9.26983 -3.38653 43.5985 147.57 -9.03164 117.396 -70.6718 -128.096 PRESSAVG: 15400 10.2483 5.47443 -22.4545 5.47444 19.003 39.7606 -22.4545 39.7607 -54.6301 GPRESSAVG: 15400 9.70374 2.88053 -20.8217 7.68061 18.8008 38.9312 -25.3434 38.7034 -53.217 TIMING: 15400 CPU: 45.6819, 0.00293442/step Wall: 45.6819, 0.00293442/step, 4.06303 hours remaining, 196.515625 MB of memory in use. ENERGY: 15400 727.9799 2114.0160 1936.8512 108.0708 -206657.1351 17998.6071 0.0000 0.0000 34037.5054 -149734.1046 297.2580 -183771.6101 -149630.9608 297.4593 45.1416 72.2122 557318.6864 -8.4596 -8.2375 PRESSURE: 15600 157.964 34.2296 122.559 34.2294 -126.784 107.495 122.56 107.496 -289.744 GPRESSURE: 15600 171.212 22.7347 40.7072 51.1781 -77.6611 154.867 136.904 101.131 -253.654 PRESSAVG: 15600 62.8039 -53.2942 12.3696 -53.2941 38.3288 41.827 12.3697 41.8271 -103.032 GPRESSAVG: 15600 62.8159 -55.0602 13.1328 -54.3211 38.2846 41.5617 12.8847 42.8475 -102.693 TIMING: 15600 CPU: 46.2735, 0.00295833/step Wall: 46.2735, 0.00295833/step, 4.09597 hours remaining, 196.515625 MB of memory in use. ENERGY: 15600 735.4486 2123.4051 1972.0087 99.4336 -206667.1199 17878.7862 0.0000 0.0000 34062.6804 -149795.3571 297.4779 -183858.0375 -149691.0322 297.5448 -86.1879 -53.3675 557060.1069 -0.6330 -0.5310 PRESSURE: 15800 -30.0279 12.0687 81.4593 12.0686 7.92707 69.1177 81.4588 69.1174 193.229 GPRESSURE: 15800 14.6979 21.8569 175.535 -5.07713 68.7419 99.8781 -44.7348 47.9695 175.193 PRESSAVG: 15800 -44.2052 15.1349 -47.1957 15.1348 25.8567 48.3155 -47.1958 48.3155 39.4289 GPRESSAVG: 15800 -44.361 16.0194 -47.6887 14.3744 25.7552 48.7618 -47.2167 47.4651 38.7822 TIMING: 15800 CPU: 46.872, 0.0029924/step Wall: 46.872, 0.0029924/step, 4.14297 hours remaining, 196.515625 MB of memory in use. ENERGY: 15800 714.4551 2056.8566 1977.1160 112.8089 -206672.1689 17850.1716 0.0000 0.0000 34273.2591 -149687.5015 299.3169 -183960.7606 -149597.3849 298.1375 57.0428 86.2109 556462.5181 7.0268 6.7255 PRESSURE: 16000 188.18 61.5786 -41.8289 61.579 30.7381 -12.6343 -41.83 -12.6347 288.191 GPRESSURE: 16000 223.363 74.443 -23.5867 49.0414 39.554 -106.453 -64.1787 -49.5739 335.737 PRESSAVG: 16000 -24.0189 -3.41792 -11.7501 -3.41795 -1.77082 -17.5743 -11.7501 -17.5742 1.40979 GPRESSAVG: 16000 -23.9969 -4.50101 -11.2914 -1.08296 -1.78907 -20.3904 -12.1675 -16.5829 0.995134 TIMING: 16000 CPU: 47.4695, 0.00298739/step Wall: 47.4695, 0.00298739/step, 4.13588 hours remaining, 196.515625 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: 16000 719.0300 2085.5017 1951.3337 112.2785 -206726.2128 18087.1883 0.0000 0.0000 34117.6031 -149653.2775 297.9575 -183770.8806 -149554.7881 297.7490 169.0361 199.5513 556820.7965 -8.1267 -8.2636 PRESSURE: 16200 31.2344 -0.91259 -17.8781 -0.911787 -203.458 -26.8894 -17.8793 -26.8902 -439.171 GPRESSURE: 16200 38.9641 -23.4967 7.82117 30.9926 -175.046 -37.1391 34.3206 -4.76167 -372.056 PRESSAVG: 16200 -10.7126 82.3073 12.9124 82.3074 -56.9802 -22.79 12.9124 -22.7899 70.9347 GPRESSAVG: 16200 -10.8667 81.5762 13.5347 80.3587 -57.6963 -19.5532 13.511 -22.6593 71.2853 TIMING: 16200 CPU: 48.0574, 0.00293947/step Wall: 48.0574, 0.00293947/step, 4.06937 hours remaining, 196.523438 MB of memory in use. ENERGY: 16200 788.0167 2139.1240 1942.4002 114.9442 -206675.8812 17796.3892 0.0000 0.0000 34178.5089 -149716.4979 298.4894 -183895.0068 -149625.8731 297.9535 -203.7980 -169.3792 557985.9347 1.0806 0.9074 LDB: ============= START OF LOAD BALANCING ============== 51.4778 LDB: ============== END OF LOAD BALANCING =============== 51.478 LDB: =============== DONE WITH MIGRATION ================ 51.4795 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 51.7728 LDB: Largest compute 4848 load 0.026738 is 22.8% of average load 0.117416 LDB: Average compute 0.001740 is 1.5% of average load 0.117416 LDB: TIME 51.7751 LOAD: AVG 0.117416 MAX 0.193413 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.293 MB LDB: TIME 51.7754 LOAD: AVG 0.117416 MAX 0.193413 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.293 MB LDB: TIME 51.7755 LOAD: AVG 0.117416 MAX 0.193413 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 51.7773 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 51.7814 PRESSURE: 16400 6.52054 -41.8442 166.588 -41.8437 9.56351 10.5635 166.589 10.565 225.019 GPRESSURE: 16400 73.8635 -51.1544 132.06 8.20514 29.1455 -16.8718 151.039 19.8379 227.55 PRESSAVG: 16400 15.2691 44.5895 11.556 44.5894 -51.8245 -4.60806 11.5559 -4.60811 47.2812 GPRESSAVG: 16400 14.9988 43.2761 9.01202 45.9059 -51.229 -5.74129 12.617 -3.08124 46.6802 TIMING: 16400 CPU: 48.6518, 0.00297202/step Wall: 48.6518, 0.00297202/step, 4.11427 hours remaining, 197.875000 MB of memory in use. ENERGY: 16400 735.9455 2070.9657 1948.3260 121.6032 -206825.7965 18070.1406 0.0000 0.0000 34208.4164 -149670.3991 298.7506 -183878.8155 -149576.4740 297.8555 80.3677 110.1863 558866.2610 3.5753 3.4833 PRESSURE: 16600 169.648 -5.89967 63.016 -5.90024 -53.2321 -4.90983 63.0152 -4.91143 -228.309 GPRESSURE: 16600 99.3102 59.9933 140.125 -43.8715 6.25759 34.8222 7.49425 42.1016 -126.533 PRESSAVG: 16600 49.5329 14.9377 2.28466 14.9377 -82.5098 -19.6378 2.28458 -19.6378 31.8898 GPRESSAVG: 16600 50.1419 17.8583 4.19762 13.7784 -83.518 -19.3335 0.305384 -22.0129 32.5049 TIMING: 16600 CPU: 49.2401, 0.00294148/step Wall: 49.2401, 0.00294148/step, 4.07182 hours remaining, 197.875000 MB of memory in use. ENERGY: 16600 751.5977 2089.2170 1969.4927 104.1063 -206657.8065 17942.6055 0.0000 0.0000 33997.8978 -149802.8895 296.9121 -183800.7873 -149716.4108 297.7743 -37.2977 -6.9882 557453.9117 -0.3624 -0.2904 PRESSURE: 16800 -150.545 -73.0903 11.2954 -73.0897 -167.968 -149.438 11.2948 -149.438 -227.23 GPRESSURE: 16800 -94.9017 -7.31927 -13.8721 -67.4061 -120.333 -22.3763 -70.9747 -177.273 -220.931 PRESSAVG: 16800 55.9561 -8.04497 18.5648 -8.04484 -41.6488 -7.3364 18.5648 -7.3363 -9.50024 GPRESSAVG: 16800 55.8741 -6.59925 17.7082 -10.4283 -41.5073 -6.94768 19.3262 -5.41638 -9.35037 TIMING: 16800 CPU: 49.8246, 0.00292276/step Wall: 49.8246, 0.00292276/step, 4.04574 hours remaining, 197.875000 MB of memory in use. ENERGY: 16800 748.5413 2027.5664 1947.5860 102.2884 -206413.3527 17741.1064 0.0000 0.0000 34199.0130 -149647.2513 298.6685 -183846.2643 -149542.5976 298.0680 -181.9143 -145.3886 556450.2860 1.6023 1.6721 PRESSURE: 17000 -44.8807 25.913 103.14 25.9117 39.7159 54.6639 103.14 54.6639 -220.384 GPRESSURE: 17000 20.0492 -31.871 105.015 10.5671 47.2048 237.371 93.5017 -96.4439 -199.097 PRESSAVG: 17000 60.2319 -2.99338 -17.9004 -2.99341 -20.864 19.8497 -17.9005 19.8497 -17.9587 GPRESSAVG: 17000 58.3218 -6.20854 -18.4906 0.32863 -19.6209 20.5509 -15.4461 18.2167 -17.7063 TIMING: 17000 CPU: 50.4081, 0.00291744/step Wall: 50.4081, 0.00291744/step, 4.03823 hours remaining, 197.875000 MB of memory in use. ENERGY: 17000 789.2134 2114.8841 1947.0052 104.3668 -206858.8444 17970.4870 0.0000 0.0000 34322.6123 -149610.2756 299.7479 -183932.8879 -149522.5368 298.7356 -75.1831 -43.9475 556027.6459 7.1364 6.9982 PRESSURE: 17200 45.5865 112.375 11.3904 112.375 -89.2297 222.843 11.3911 222.842 269.33 GPRESSURE: 17200 42.4491 103.343 107.364 79.8001 -59.8024 155.366 -15.0391 216.654 338.78 PRESSAVG: 17200 -3.95318 46.4903 -32.4747 46.4904 25.7209 30.0888 -32.4746 30.0888 -45.8146 GPRESSAVG: 17200 -2.32019 46.1396 -30.2656 45.9746 24.3207 30.2306 -36.1489 29.698 -46.0814 TIMING: 17200 CPU: 50.9929, 0.00292368/step Wall: 50.9929, 0.00292368/step, 4.0467 hours remaining, 197.875000 MB of memory in use. ENERGY: 17200 764.6546 2128.1031 1971.7884 106.0541 -207053.2944 18072.0851 0.0000 0.0000 34435.3766 -149575.2326 300.7327 -184010.6091 -149478.2354 298.4696 75.2289 107.1422 556096.5629 -8.0156 -8.0269 PRESSURE: 17400 305.546 148.328 -91.5645 148.331 -117.206 24.5706 -91.5643 24.5696 -50.7825 GPRESSURE: 17400 228.177 108.884 -97.2301 175.558 4.65663 -90.123 -94.4113 48.3425 5.24119 PRESSAVG: 17400 -17.8282 31.1601 10.8117 31.16 -27.6153 -41.5322 10.8117 -41.5322 49.9507 GPRESSAVG: 17400 -19.0928 33.7668 9.56193 30.6173 -26.6651 -40.4729 13.3084 -43.2283 50.3742 TIMING: 17400 CPU: 51.5822, 0.00294668/step Wall: 51.5822, 0.00294668/step, 4.07837 hours remaining, 197.875000 MB of memory in use. ENERGY: 17400 785.1040 2053.9363 1959.7126 106.3247 -206604.9526 18007.9988 0.0000 0.0000 34175.0809 -149516.7954 298.4595 -183691.8763 -149415.8837 298.8965 45.8527 79.3583 556265.0890 1.5024 1.5388 PRESSURE: 17600 -107.085 3.32073 -102.586 3.32173 -276.458 -78.8076 -102.586 -78.8073 152.518 GPRESSURE: 17600 -71.0518 -54.5632 -190.042 -17.7855 -176.052 -85.0653 49.9366 11.2042 101.045 PRESSAVG: 17600 -21.6542 28.1553 -50.2615 28.1552 -11.5688 34.2673 -50.2614 34.2674 28.803 GPRESSAVG: 17600 -21.6909 28.0526 -50.6725 29.2229 -11.9871 33.1019 -49.7897 37.0799 30.0603 TIMING: 17600 CPU: 52.1749, 0.0029633/step Wall: 52.1749, 0.0029633/step, 4.10121 hours remaining, 197.875000 MB of memory in use. ENERGY: 17600 727.3924 2061.9172 1979.2375 113.0627 -206261.3415 17791.0242 0.0000 0.0000 34122.6368 -149466.0708 298.0015 -183588.7076 -149369.6012 298.4751 -77.0083 -48.6862 557692.8053 -1.4734 -1.2059 PRESSURE: 17800 -277.686 19.6313 15.4085 19.6311 -57.4377 -3.44503 15.409 -3.44527 -157.635 GPRESSURE: 17800 -274.208 -50.0988 -66.9317 -27.7517 -13.9242 -15.7246 -95.5421 -32.9081 -99.1357 PRESSAVG: 17800 -8.38439 13.3226 -14.2663 13.3225 -26.1987 0.118377 -14.2663 0.118279 49.5458 GPRESSAVG: 17800 -7.60488 12.635 -15.8884 13.3658 -25.4004 0.9643 -15.4076 -1.41879 48.4827 TIMING: 17800 CPU: 52.7662, 0.00295651/step Wall: 52.7662, 0.00295651/step, 4.09165 hours remaining, 197.875000 MB of memory in use. ENERGY: 17800 769.4306 2129.3588 1985.8977 121.9879 -206196.4242 17651.6119 0.0000 0.0000 34067.1134 -149471.0239 297.5166 -183538.1373 -149370.3171 298.1188 -164.2528 -129.0894 558214.7791 4.9876 5.1591 PRESSURE: 18000 -67.9043 8.93302 -93.8677 8.93397 118.006 65.6799 -93.8689 65.6799 -106.598 GPRESSURE: 18000 -52.6405 20.9115 -79.2876 -103.269 95.1586 40.2479 -157.01 -1.81457 -8.74601 PRESSAVG: 18000 -33.6542 0.104863 28.6278 0.10486 40.2714 14.0219 28.6278 14.0219 -8.89446 GPRESSAVG: 18000 -33.5762 -0.0977646 28.8275 -0.425186 40.4293 13.2387 30.6577 13.7724 -8.36095 TIMING: 18000 CPU: 53.3549, 0.00294365/step Wall: 53.3549, 0.00294365/step, 4.07369 hours remaining, 197.875000 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: 18000 750.8771 2108.6663 1985.4500 114.9847 -206834.3189 18061.8947 0.0000 0.0000 34326.5214 -149485.9246 299.7820 -183812.4460 -149388.4854 298.9407 -18.8321 11.2574 557590.4769 -0.7591 -0.5026 PRESSURE: 18200 8.82146 45.2231 -34.7436 45.2226 151.044 65.6149 -34.7443 65.6157 116.476 GPRESSURE: 18200 74.6889 28.4412 99.7789 27.778 135.835 47.3261 -125.828 63.6908 151.263 PRESSAVG: 18200 -2.94176 -38.2934 12.6259 -38.2934 10.0488 15.2417 12.626 15.2418 7.85827 GPRESSAVG: 18200 -2.38942 -39.7979 14.3547 -38.5528 9.35686 15.4619 10.9333 15.074 8.44128 TIMING: 18200 CPU: 53.9466, 0.00295837/step Wall: 53.9466, 0.00295837/step, 4.09389 hours remaining, 197.875000 MB of memory in use. ENERGY: 18200 749.7851 2108.8531 1982.2404 125.0610 -206727.2699 18022.6380 0.0000 0.0000 34297.7933 -149440.8990 299.5312 -183738.6923 -149344.9894 299.0003 92.1138 120.5956 557287.5407 4.9884 5.1362 PRESSURE: 18400 -242.825 86.6519 -163.602 86.6517 30.3879 191.748 -163.603 191.749 45.6739 GPRESSURE: 18400 -196.605 106.99 -200.162 66.8048 43.1444 219.64 -112.447 182.721 89.3824 PRESSAVG: 18400 -76.42 -9.68448 8.86472 -9.68447 64.3725 35.3851 8.86467 35.385 26.6192 GPRESSAVG: 18400 -76.5411 -7.90132 7.23996 -9.73477 64.6385 36.6606 12.006 33.3144 26.2457 TIMING: 18400 CPU: 54.5339, 0.00293643/step Wall: 54.5339, 0.00293643/step, 4.06337 hours remaining, 197.875000 MB of memory in use. ENERGY: 18400 735.0607 2130.7299 1977.1582 113.8166 -206181.6843 17650.6145 0.0000 0.0000 34194.6267 -149379.6777 298.6302 -183574.3044 -149280.5684 298.7484 -55.5877 -21.3595 558040.5610 4.8572 4.7810 PRESSURE: 18600 -72.5689 -18.8233 -114.794 -18.8222 50.2726 22.5677 -114.794 22.5672 -98.5991 GPRESSURE: 18600 -6.49461 10.0867 -132.487 51.6273 51.635 -2.53996 -109.037 32.2652 -60.6592 PRESSAVG: 18600 19.9303 -61.7835 23.7689 -61.7835 43.936 37.3017 23.7689 37.3017 -7.44827 GPRESSAVG: 18600 20.72 -63.0509 26.0096 -61.191 43.0997 35.1485 19.8282 42.0733 -7.07127 TIMING: 18600 CPU: 55.1207, 0.00293437/step Wall: 55.1207, 0.00293437/step, 4.06035 hours remaining, 197.875000 MB of memory in use. ENERGY: 18600 739.2951 2091.2463 1993.7245 106.4623 -206547.3250 17897.4855 0.0000 0.0000 34312.8641 -149406.2471 299.6628 -183719.1113 -149303.9296 298.9130 -40.2985 -5.1729 556521.1947 18.8060 18.9161 PRESSURE: 18800 5.49098 -51.7393 -44.6905 -51.7408 8.53188 -117.214 -44.6906 -117.215 -78.7917 GPRESSURE: 18800 20.7097 -65.4585 -134.097 10.713 18.725 -164.692 -25.3445 -155.051 0.460739 PRESSAVG: 18800 57.5071 6.90461 -0.247227 6.90471 -40.3148 -62.8919 -0.247267 -62.8919 -2.83375 GPRESSAVG: 18800 56.8205 8.69552 -0.374031 6.40647 -38.8153 -60.2842 -1.09858 -66.0584 -2.96423 TIMING: 18800 CPU: 55.7126, 0.00295924/step Wall: 55.7126, 0.00295924/step, 4.0946 hours remaining, 197.875000 MB of memory in use. ENERGY: 18800 760.1549 2084.0714 1979.9001 112.6913 -206353.2813 17864.1626 0.0000 0.0000 34063.3483 -149488.9528 297.4837 -183552.3011 -149392.9724 298.6507 -21.5896 13.2985 557303.0604 4.7862 5.0137 PRESSURE: 19000 -145.631 44.1131 -140.772 44.1134 34.6151 -33.8882 -140.771 -33.8881 -199.787 GPRESSURE: 19000 -123.379 55.6941 -252.45 62.9896 77.4651 -38.5571 -158.596 -78.9521 -166.38 PRESSAVG: 19000 52.9299 65.9037 -60.5603 65.9038 -23.0727 -25.3075 -60.5603 -25.3076 1.78487 GPRESSAVG: 19000 52.6615 65.7016 -60.9697 65.6804 -22.96 -27.6276 -59.2079 -21.9978 1.81998 TIMING: 19000 CPU: 56.3081, 0.0029774/step Wall: 56.3081, 0.0029774/step, 4.11957 hours remaining, 197.875000 MB of memory in use. ENERGY: 19000 772.5756 2118.2411 1981.5421 110.8861 -206389.0243 17776.9026 0.0000 0.0000 34094.3106 -149534.5661 297.7541 -183628.8768 -149440.0714 298.6429 -103.6010 -70.7645 557420.0895 10.5474 10.5071 PRESSURE: 19200 -178.055 -50.731 -191.786 -50.7318 -35.6923 49.3353 -191.788 49.3346 -76.5163 GPRESSURE: 19200 -164.153 22.0346 -149.533 -37.7404 -41.2186 100.604 -219.829 74.0378 8.02001 PRESSAVG: 19200 -17.6177 15.7445 -58.8956 15.7446 -3.7171 -19.6354 -58.8956 -19.6355 -17.1523 GPRESSAVG: 19200 -17.8702 13.8841 -59.5746 14.9936 -3.69259 -18.1149 -57.0392 -21.0124 -16.9989 TIMING: 19200 CPU: 56.9076, 0.00299762/step Wall: 56.9076, 0.00299763/step, 4.14738 hours remaining, 197.875000 MB of memory in use. ENERGY: 19200 777.6836 2033.3068 1987.3139 115.1665 -206228.9312 17691.5238 0.0000 0.0000 33977.6603 -149646.2764 296.7354 -183623.9367 -149556.6033 297.5874 -96.7544 -65.7838 556307.1352 -12.8290 -12.8539 PRESSURE: 19400 372.189 -17.568 -22.4513 -17.5685 24.224 -208.081 -22.4495 -208.08 216.39 GPRESSURE: 19400 395.375 12.493 -22.3826 9.78155 76.146 -216.744 -34.2025 -238.904 247.136 PRESSAVG: 19400 20.0834 -22.3683 -3.25583 -22.3682 21.3268 -2.30546 -3.25572 -2.3055 -41.3189 GPRESSAVG: 19400 19.0024 -21.2189 -1.91 -22.1454 21.9353 -0.372463 -4.94329 -2.40792 -40.9043 TIMING: 19400 CPU: 57.5043, 0.00298366/step Wall: 57.5043, 0.00298366/step, 4.12789 hours remaining, 197.875000 MB of memory in use. ENERGY: 19400 764.0426 2098.8413 1958.6434 96.1372 -206611.0658 18143.2725 0.0000 0.0000 34104.2663 -149445.8626 297.8410 -183550.1288 -149348.4856 297.9201 204.2678 239.5525 556564.7805 0.0304 0.0112 PRESSURE: 19600 -22.6782 -8.3848 55.339 -8.38492 7.38302 186.603 55.3376 186.601 170.05 GPRESSURE: 19600 -21.7286 -32.6886 56.3428 74.6455 85.148 76.2558 12.4745 225.315 191.475 PRESSAVG: 19600 28.0912 37.3227 -31.313 37.3226 1.77725 -8.28071 -31.313 -8.28079 -0.174618 GPRESSAVG: 19600 29.1982 36.4869 -33.295 38.1833 1.61645 -10.6345 -29.3287 -8.33162 -0.740818 TIMING: 19600 CPU: 58.1024, 0.00299051/step Wall: 58.1024, 0.00299051/step, 4.1372 hours remaining, 197.875000 MB of memory in use. ENERGY: 19600 708.7952 2140.8435 1966.4369 111.5525 -206287.9968 17786.2909 0.0000 0.0000 34240.6742 -149333.4036 299.0323 -183574.0778 -149228.6671 299.3797 51.5850 84.9649 556546.7006 9.8980 10.0246 PRESSURE: 19800 -1.6212 -197.503 83.6104 -197.503 68.4321 -56.4183 83.61 -56.4166 -19.1466 GPRESSURE: 19800 61.5083 -225.842 94.7277 -83.8186 60.8829 -128.186 153.792 -17.0004 8.37586 PRESSAVG: 19800 -33.0494 21.278 8.40656 21.2781 8.19677 -95.3937 8.40652 -95.3937 44.2868 GPRESSAVG: 19800 -33.2046 21.9706 8.97341 21.6149 8.11175 -94.951 7.97941 -94.9619 44.3837 TIMING: 19800 CPU: 58.699, 0.00298306/step Wall: 58.699, 0.00298306/step, 4.12674 hours remaining, 197.875000 MB of memory in use. ENERGY: 19800 743.9908 2097.0505 1947.5543 114.7970 -206364.3064 17919.5529 0.0000 0.0000 34261.4521 -149279.9088 299.2138 -183541.3609 -149186.2619 298.9100 15.8881 43.5890 556359.7533 6.4781 6.4303 PRESSURE: 20000 -314.631 -29.4466 74.1889 -29.4467 -4.43188 -46.1014 74.1886 -46.1011 -67.0115 GPRESSURE: 20000 -278.477 -40.1555 79.5037 10.4646 8.05054 -56.2581 17.7104 -138.75 -16.871 PRESSAVG: 20000 -9.25164 5.00795 40.3318 5.00796 -52.5781 -84.1671 40.3319 -84.1672 39.7799 GPRESSAVG: 20000 -9.48701 6.36969 38.6667 4.608 -52.4569 -85.1839 40.1315 -83.8825 39.7529 TIMING: 20000 CPU: 59.298, 0.00299497/step Wall: 59.298, 0.00299497/step, 4.14304 hours remaining, 197.875000 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: 20000 746.6299 2144.3151 1981.4710 118.0624 -206249.7888 17632.6919 0.0000 0.0000 34322.6233 -149303.9953 299.7480 -183626.6186 -149215.2035 299.4865 -128.6914 -95.7659 557171.7776 -7.3499 -7.3970 PRESSURE: 20200 -6.99578 23.1911 -25.016 23.1906 75.9502 -108.833 -25.0153 -108.833 311.323 GPRESSURE: 20200 19.7093 -35.7837 8.79911 52.7173 145.592 -134.812 -73.8831 -52.7713 316.371 PRESSAVG: 20200 -80.8048 -28.2465 -27.8697 -28.2465 26.91 -42.6292 -27.8696 -42.6293 26.1992 GPRESSAVG: 20200 -79.9424 -29.3363 -27.3089 -27.3203 26.901 -41.6066 -27.2754 -42.2167 25.541 TIMING: 20200 CPU: 59.8912, 0.00296566/step Wall: 59.8912, 0.00296566/step, 4.10233 hours remaining, 197.875000 MB of memory in use. ENERGY: 20200 715.5143 2089.6036 1936.9099 117.9599 -206572.2139 18031.8963 0.0000 0.0000 34292.5113 -149387.8187 299.4850 -183680.3300 -149291.7044 299.2700 126.7591 160.5575 555484.4546 -9.2319 -9.1668 LDB: ============= START OF LOAD BALANCING ============== 63.3162 LDB: ============== END OF LOAD BALANCING =============== 63.3164 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.318 LDB: ============= START OF LOAD BALANCING ============== 63.6101 LDB: Largest compute 4848 load 0.027400 is 23.3% of average load 0.117560 LDB: Average compute 0.001736 is 1.5% of average load 0.117560 LDB: TIME 63.6124 LOAD: AVG 0.11756 MAX 0.195828 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.23 MB LDB: TIME 63.6127 LOAD: AVG 0.11756 MAX 0.195828 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.23 MB LDB: TIME 63.6128 LOAD: AVG 0.11756 MAX 0.195828 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 63.6147 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 63.6189 PRESSURE: 20400 -47.3501 -31.6599 114.932 -31.6593 -71.497 -2.08488 114.932 -2.08506 -136.547 GPRESSURE: 20400 -81.3313 15.7987 52.1558 -58.8173 -18.7981 -21.0861 144.43 -47.8084 -58.3919 PRESSAVG: 20400 -42.2634 -33.16 -39.4969 -33.16 24.4814 -2.04549 -39.4969 -2.04549 30.0772 GPRESSAVG: 20400 -43.318 -30.6947 -39.025 -33.8114 24.6695 -1.83145 -39.8273 -4.20444 30.5287 TIMING: 20400 CPU: 60.4891, 0.00298996/step Wall: 60.4891, 0.00298996/step, 4.13577 hours remaining, 197.148438 MB of memory in use. ENERGY: 20400 707.4603 2167.2659 1924.5670 108.7976 -205912.4129 17569.2070 0.0000 0.0000 34070.1068 -149365.0084 297.5427 -183435.1151 -149269.7363 298.8426 -85.1314 -52.8404 558037.8240 4.0984 3.9601 PRESSURE: 20600 -60.5018 -98.0251 -21.4575 -98.025 -137.378 161.251 -21.4569 161.248 -22.6474 GPRESSURE: 20600 -43.2537 -126.622 -87.3557 -100.454 -74.2767 160.695 30.6046 150.209 -11.0279 PRESSAVG: 20600 -10.2276 -0.0555678 32.8512 -0.0555297 -0.817626 -2.13655 32.8512 -2.13656 8.85845 GPRESSAVG: 20600 -11.3792 -2.4057 33.5761 0.435222 -1.00829 -1.33003 31.5726 -0.458452 9.63247 TIMING: 20600 CPU: 61.0736, 0.00292221/step Wall: 61.0736, 0.00292221/step, 4.0419 hours remaining, 197.347656 MB of memory in use. ENERGY: 20600 779.8128 2145.0955 1969.4450 116.9704 -205963.6075 17684.9763 0.0000 0.0000 34073.1229 -149194.1846 297.5691 -183267.3074 -149096.8450 298.7466 -73.5092 -42.8528 558323.6019 -0.7289 -0.9184 PRESSURE: 20800 -95.449 32.4699 64.995 32.4708 129.092 -25.2328 64.9946 -25.2308 220.357 GPRESSURE: 20800 -58.3645 -42.4806 27.8785 82.3199 140.834 -70.7284 28.9545 36.3688 261.712 PRESSAVG: 20800 -112.933 21.4119 49.0133 21.4118 28.5646 6.05443 49.0133 6.05443 76.0603 GPRESSAVG: 20800 -111.846 20.8833 47.8747 23.401 28.1469 5.58597 49.477 5.52761 75.1259 TIMING: 20800 CPU: 61.6674, 0.00296903/step Wall: 61.6674, 0.00296903/step, 4.1065 hours remaining, 197.347656 MB of memory in use. ENERGY: 20800 721.8067 2155.4284 1987.6114 114.9774 -206404.5450 17911.8545 0.0000 0.0000 34268.2139 -149244.6527 299.2728 -183512.8667 -149150.3504 299.1235 84.6669 114.7275 556207.1556 -2.7694 -2.8577 PRESSURE: 21000 -220.276 109.507 92.8139 109.507 -127.949 198.928 92.8141 198.929 -291.605 GPRESSURE: 21000 -184.812 74.975 129.645 140.87 -105.952 295.174 139.93 142.38 -249.063 PRESSAVG: 21000 -10.127 14.5734 11.1184 14.5734 4.50466 -21.2269 11.1185 -21.2268 36.4887 GPRESSAVG: 21000 -9.78012 14.5022 13.0813 13.3153 3.66679 -20.7778 9.67502 -20.5528 36.5022 TIMING: 21000 CPU: 62.2598, 0.00296229/step Wall: 62.2598, 0.00296229/step, 4.09701 hours remaining, 197.347656 MB of memory in use. ENERGY: 21000 792.6965 2150.5731 1954.7110 112.3749 -206050.9224 17639.1058 0.0000 0.0000 34307.0173 -149094.4438 299.6117 -183401.4611 -148997.9124 299.1390 -213.2766 -179.9424 557459.8509 10.2888 10.1296 PRESSURE: 21200 -145.033 -27.8699 -270.298 -27.8715 -122.659 -155.345 -270.299 -155.343 76.9256 GPRESSURE: 21200 -122.345 -32.2612 -200.011 15.2923 -92.5132 -55.726 -183.977 -134.011 118.419 PRESSAVG: 21200 -34.182 -10.0849 -1.62814 -10.0849 48.6717 11.208 -1.62822 11.2079 -9.5971 GPRESSAVG: 21200 -35.127 -8.92589 -1.28526 -11.4982 49.6008 12.2207 -1.53325 12.2067 -9.21636 TIMING: 21200 CPU: 62.8546, 0.00297392/step Wall: 62.8546, 0.00297392/step, 4.11293 hours remaining, 197.347656 MB of memory in use. ENERGY: 21200 751.8784 2138.8651 1956.6147 118.8122 -205834.9208 17564.4872 0.0000 0.0000 34174.4555 -149129.8076 298.4540 -183304.2631 -149038.1329 299.0527 -63.5888 -32.1462 557783.6506 1.6309 1.7525 PRESSURE: 21400 -49.0617 53.8922 -60.8501 53.8925 57.8469 -105.663 -60.8502 -105.663 -264.569 GPRESSURE: 21400 16.1179 90.6155 -7.81515 -58.2204 65.7924 -160.551 -133.86 -82.8182 -236.31 PRESSAVG: 21400 9.04131 -16.1631 -36.1877 -16.1631 -41.6826 -41.029 -36.1876 -41.0291 28.9092 GPRESSAVG: 21400 9.89616 -15.7606 -36.9779 -15.2367 -42.6351 -41.6921 -35.6431 -41.21 29.4574 TIMING: 21400 CPU: 63.4481, 0.00296715/step Wall: 63.4481, 0.00296715/step, 4.10341 hours remaining, 197.347656 MB of memory in use. ENERGY: 21400 789.1226 2130.5301 1954.3594 111.6970 -206228.9493 17778.2147 0.0000 0.0000 34308.1865 -149156.8392 299.6219 -183465.0256 -149065.3741 299.2289 -85.2614 -51.4667 556756.9921 -1.2440 -1.0938 PRESSURE: 21600 163.859 63.1959 66.1422 63.1958 41.4014 -20.9101 66.1432 -20.9119 334.494 GPRESSURE: 21600 216.635 27.5951 24.7443 122.989 74.4753 27.8719 76.7892 -33.8273 349.968 PRESSAVG: 21600 27.4587 27.7206 39.7707 27.7206 -44.5937 -23.6936 39.7707 -23.6935 -11.746 GPRESSAVG: 21600 26.904 28.3771 40.9815 28.1336 -44.3677 -22.9423 36.8888 -25.4762 -11.22 TIMING: 21600 CPU: 64.0358, 0.00293868/step Wall: 64.0358, 0.00293868/step, 4.06386 hours remaining, 197.347656 MB of memory in use. ENERGY: 21600 740.2323 2124.3621 1947.8857 115.1792 -206762.6743 18284.7254 0.0000 0.0000 34310.5317 -149239.7579 299.6424 -183550.2896 -149139.3852 298.9589 179.9181 213.6926 556476.9004 -9.6270 -9.5612 PRESSURE: 21800 218.679 -41.1748 -38.0975 -41.1764 47.733 -166.55 -38.0976 -166.552 83.4799 GPRESSURE: 21800 242.112 0.0821449 -37.5512 -69.9625 59.223 -137.09 -62.4422 -113.131 143.895 PRESSAVG: 21800 58.6355 -1.23908 -53.7836 -1.2392 -43.7178 -19.6545 -53.7836 -19.6546 13.747 GPRESSAVG: 21800 58.4481 -2.62902 -55.6875 -2.4824 -43.3385 -21.6904 -51.5592 -18.2799 13.0997 TIMING: 21800 CPU: 64.6228, 0.00293522/step Wall: 64.6228, 0.00293522/step, 4.05892 hours remaining, 197.347656 MB of memory in use. ENERGY: 21800 760.1301 2052.9968 1952.7114 113.8125 -206514.3182 18146.9580 0.0000 0.0000 34132.9257 -149354.7837 298.0913 -183487.7094 -149259.0042 298.6875 116.6307 148.4100 556620.7156 9.5549 9.4031 PRESSURE: 22000 212.631 49.1307 -71.9903 49.132 44.9662 -152.302 -71.9901 -152.299 9.16632 GPRESSURE: 22000 235.14 55.1921 -23.8095 96.9199 65.3142 -97.3214 -67.5645 -168.032 70.8497 PRESSAVG: 22000 -18.6168 18.7254 -70.528 18.7255 -77.4855 -65.3908 -70.528 -65.3907 52.768 GPRESSAVG: 22000 -17.9759 18.6028 -70.6448 18.5487 -76.7424 -64.6784 -69.2335 -65.1245 51.3014 TIMING: 22000 CPU: 65.2148, 0.00295975/step Wall: 65.2148, 0.00295975/step, 4.09268 hours remaining, 197.347656 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: 22000 713.3252 2083.6441 1953.1388 120.2284 -206421.4478 18057.5035 0.0000 0.0000 34050.1737 -149443.4340 297.3686 -183493.6077 -149344.6256 298.5076 88.9212 123.7679 557416.2645 -14.4447 -14.4723 PRESSURE: 22200 -53.1878 -124.937 56.0811 -124.938 -102.225 -89.7561 56.08 -89.755 96.7936 GPRESSURE: 22200 12.099 -60.3024 5.43013 -90.5446 -92.4462 -54.6581 56.5703 -123.982 107.583 PRESSAVG: 22200 5.88833 47.5727 -35.8754 47.5727 -60.8199 -1.31072 -35.8753 -1.31083 50.2365 GPRESSAVG: 22200 6.48731 47.2339 -35.4894 49.8468 -62.6913 -3.02417 -35.6042 -1.01352 51.3561 TIMING: 22200 CPU: 65.8033, 0.00294268/step Wall: 65.8033, 0.00294268/step, 4.06892 hours remaining, 197.347656 MB of memory in use. ENERGY: 22200 743.5444 2065.3907 1954.7809 111.0370 -206408.0385 17810.0576 0.0000 0.0000 34212.9345 -149510.2935 298.7901 -183723.2279 -149416.4023 298.2122 -19.5399 9.0788 557070.9739 -1.5650 -1.6160 PRESSURE: 22400 91.1854 -186.955 46.7137 -186.956 173.361 78.035 46.714 78.0349 97.6616 GPRESSURE: 22400 158.699 -261.06 61.6881 -125.447 187.485 67.8098 10.9722 166.496 116.897 PRESSAVG: 22400 22.931 10.5336 -33.369 10.5337 -76.7227 -40.8903 -33.3689 -40.8902 61.7792 GPRESSAVG: 22400 21.9133 9.91861 -32.5423 10.5043 -75.8682 -40.3544 -34.3864 -39.7718 61.8086 TIMING: 22400 CPU: 66.3912, 0.00293955/step Wall: 66.3912, 0.00293955/step, 4.06442 hours remaining, 197.347656 MB of memory in use. ENERGY: 22400 744.2873 2048.8894 1944.7285 109.8086 -206392.7427 17897.3542 0.0000 0.0000 34358.4102 -149289.2646 300.0605 -183647.6748 -149191.5252 298.5547 120.7360 154.3601 557247.9287 2.6625 2.6179 PRESSURE: 22600 -61.0412 -213.664 21.3086 -213.664 88.5333 7.07658 21.3086 7.07498 282.664 GPRESSURE: 22600 -103.549 -202.003 65.3212 -235.973 129.952 -0.918606 -11.1126 6.4705 373.838 PRESSAVG: 22600 -42.2635 0.672374 -13.4746 0.672351 10.9191 -15.6081 -13.4746 -15.6082 66.4448 GPRESSAVG: 22600 -43.0157 0.36282 -13.8962 1.5984 11.2912 -15.3152 -14.2982 -16.9238 66.6669 TIMING: 22600 CPU: 66.9806, 0.00294678/step Wall: 66.9806, 0.00294678/step, 4.07425 hours remaining, 197.347656 MB of memory in use. ENERGY: 22600 742.4255 2076.3127 1968.1878 115.4318 -206419.3183 18096.4947 0.0000 0.0000 34063.0806 -149357.3852 297.4814 -183420.4659 -149262.9845 298.7749 103.3853 133.4137 558867.7199 11.7001 11.6475 PRESSURE: 22800 61.0345 36.6796 -76.5434 36.6794 26.7798 -55.0553 -76.5425 -55.0537 33.9994 GPRESSURE: 22800 132.175 66.0198 -118.888 159.586 61.0242 -102.221 -58.2676 -13.6727 26.1239 PRESSAVG: 22800 27.0069 -24.7288 38.4118 -24.7289 -21.0516 -20.2617 38.4118 -20.2618 27.7441 GPRESSAVG: 22800 26.5925 -23.3611 37.7314 -25.7952 -20.5782 -20.6794 39.9644 -19.9478 28.231 TIMING: 22800 CPU: 67.564, 0.00291699/step Wall: 67.564, 0.00291699/step, 4.0329 hours remaining, 197.347656 MB of memory in use. ENERGY: 22800 752.7751 2070.9415 1951.3656 117.0125 -206554.8142 17980.7283 0.0000 0.0000 34271.4038 -149410.5874 299.3007 -183681.9912 -149309.9654 298.6508 40.6046 73.1077 557524.1045 11.2331 11.4151 PRESSURE: 23000 -173.987 -74.438 -168.044 -74.4392 -23.8216 43.6531 -168.042 43.6535 -225.497 GPRESSURE: 23000 -125.612 -101.22 -73.6308 -178.683 -13.496 51.7166 -161.135 6.0455 -194.762 PRESSAVG: 23000 -31.8577 -17.085 -3.22972 -17.0849 8.64071 -9.11254 -3.22975 -9.11243 9.33274 GPRESSAVG: 23000 -30.1967 -17.3586 -2.37034 -16.864 8.01267 -8.62686 -5.27605 -8.84726 8.47452 TIMING: 23000 CPU: 68.1536, 0.00294823/step Wall: 68.1536, 0.00294823/step, 4.07593 hours remaining, 197.347656 MB of memory in use. ENERGY: 23000 746.9621 2041.1558 1980.1839 129.9459 -206164.2995 17651.4246 0.0000 0.0000 34131.3430 -149483.2843 298.0775 -183614.6273 -149386.5342 298.7469 -141.1019 -111.2898 558952.3837 -4.6281 -4.5698 PRESSURE: 23200 194.871 79.5174 59.3698 79.5173 93.6083 -113.561 59.37 -113.562 -50.9518 GPRESSURE: 23200 194.469 57.4732 51.3274 -38.1645 182.321 -49.0712 91.2362 -101.442 -43.6656 PRESSAVG: 23200 22.8505 -0.760225 24.1358 -0.760198 4.18595 -38.8203 24.1358 -38.8203 -6.67742 GPRESSAVG: 23200 21.7907 -0.840559 24.4214 -1.96075 4.88777 -38.8637 24.7445 -38.0292 -6.52313 TIMING: 23200 CPU: 68.7402, 0.00293302/step Wall: 68.7402, 0.00293302/step, 4.05473 hours remaining, 197.347656 MB of memory in use. ENERGY: 23200 711.5808 2087.9139 1953.0955 127.8675 -206773.6884 18118.8100 0.0000 0.0000 34068.0141 -149706.4065 297.5244 -183774.4206 -149616.8735 298.5152 79.1757 111.0415 558198.7053 6.7864 6.7185 PRESSURE: 23400 -126.756 164.36 69.6808 164.361 -2.54007 -110.501 69.6803 -110.499 -56.1521 GPRESSURE: 23400 -92.0411 105.251 58.0896 163.95 38.6514 -207.708 36.5984 -86.165 -48.1617 PRESSAVG: 23400 10.7426 -0.482062 13.6042 -0.482098 36.0047 43.4568 13.6042 43.4567 -37.1081 GPRESSAVG: 23400 11.695 -0.413928 12.138 0.219212 35.3736 42.1835 13.9758 44.2143 -37.7769 TIMING: 23400 CPU: 69.3261, 0.0029294/step Wall: 69.3261, 0.0029294/step, 4.04957 hours remaining, 197.347656 MB of memory in use. ENERGY: 23400 726.0623 2040.1106 1974.0561 115.7354 -206744.0019 17956.2256 0.0000 0.0000 34103.8254 -149827.9866 297.8372 -183931.8120 -149730.9521 296.9034 -61.8162 -33.8505 556790.4434 3.2131 3.0972 PRESSURE: 23600 85.8419 -101.169 -49.4271 -101.168 -98.0923 -54.6352 -49.4276 -54.6372 136.696 GPRESSURE: 23600 142.055 -45.004 -42.3937 -125.94 -56.0131 -81.4945 -100.441 -17.9667 130.95 PRESSAVG: 23600 -41.8342 -1.58732 -53.0773 -1.5873 17.1424 -28.5622 -53.0774 -28.5622 49.2468 GPRESSAVG: 23600 -43.0283 0.168772 -49.4203 -2.4363 17.7522 -27.9159 -55.8743 -30.5015 49.6937 TIMING: 23600 CPU: 69.9118, 0.00292823/step Wall: 69.9118, 0.00292823/step, 4.04779 hours remaining, 197.347656 MB of memory in use. ENERGY: 23600 750.9762 2078.3272 1968.2116 106.2028 -206942.1444 18066.3063 0.0000 0.0000 34161.4414 -149810.6789 298.3404 -183972.1203 -149708.6200 297.0632 41.4820 72.3308 555335.7977 8.1850 8.1392 PRESSURE: 23800 13.6487 -93.4215 55.1136 -93.4206 73.0521 -41.5998 55.1138 -41.601 91.186 GPRESSURE: 23800 72.1627 -9.9688 -17.6404 -89.619 58.8142 -3.38466 39.7924 -82.8445 145.487 PRESSAVG: 23800 13.6687 -20.387 -6.80187 -20.387 6.82103 -1.33648 -6.80178 -1.33663 -54.0598 GPRESSAVG: 23800 13.1583 -19.7704 -11.0793 -21.552 6.60728 -0.465702 -4.66397 -1.32271 -53.1844 TIMING: 23800 CPU: 70.501, 0.00294637/step Wall: 70.501, 0.00294637/step, 4.0727 hours remaining, 197.347656 MB of memory in use. ENERGY: 23800 745.0946 2112.0210 1975.6121 131.1867 -206551.9443 17936.7943 0.0000 0.0000 34027.6354 -149623.6002 297.1718 -183651.2356 -149534.7851 297.9909 59.2956 92.1547 556399.9790 -11.1900 -11.1396 PRESSURE: 24000 -133.816 2.61114 -14.4678 2.61247 -24.1322 -25.9564 -14.4686 -25.9555 4.95028 GPRESSURE: 24000 -75.7259 -24.4787 36.8458 -8.08385 11.6818 -99.9665 -62.6159 -7.09054 -4.11271 PRESSAVG: 24000 -38.5044 -1.86645 24.0746 -1.86636 42.4563 0.470354 24.0746 0.470287 -0.308415 GPRESSAVG: 24000 -37.3065 -3.58842 24.5178 -1.61217 41.714 1.7868 24.5777 0.146694 -0.196242 TIMING: 24000 CPU: 71.0871, 0.00293018/step Wall: 71.0871, 0.00293018/step, 4.05016 hours remaining, 197.347656 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: 24000 725.7003 2112.9401 1960.4484 104.6283 -206450.8748 17780.5839 0.0000 0.0000 34068.7081 -149697.8656 297.5305 -183766.5737 -149600.0067 298.0063 -50.9993 -22.7189 557071.1988 1.2145 1.4038 PRESSURE: 24200 -303.048 -6.26264 81.7871 -6.26215 -46.081 64.9748 81.7875 64.9733 -17.5364 GPRESSURE: 24200 -290.697 -104.58 100.038 -32.1115 -38.5555 41.9632 49.7339 58.3181 44.1542 PRESSAVG: 24200 38.442 -29.4402 12.595 -29.4403 16.5599 -6.10734 12.5949 -6.10727 -41.0567 GPRESSAVG: 24200 39.4844 -29.2195 13.7333 -26.8598 16.0252 -7.42252 10.7502 -3.7959 -41.8021 TIMING: 24200 CPU: 71.6735, 0.00293187/step Wall: 71.6735, 0.00293186/step, 4.05233 hours remaining, 197.347656 MB of memory in use. ENERGY: 24200 710.6587 2103.9026 1992.7561 109.6811 -206333.7641 17696.7402 0.0000 0.0000 34089.8921 -149630.1333 297.7155 -183720.0253 -149542.2840 297.4754 -122.2217 -95.0327 557819.0058 4.6484 4.5692 LDB: ============= START OF LOAD BALANCING ============== 75.0996 LDB: ============== END OF LOAD BALANCING =============== 75.0997 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.1014 LDB: ============= START OF LOAD BALANCING ============== 75.3979 LDB: Largest compute 4848 load 0.026225 is 22.3% of average load 0.117583 LDB: Average compute 0.001730 is 1.5% of average load 0.117583 LDB: TIME 75.4003 LOAD: AVG 0.117583 MAX 0.195668 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.176 MB LDB: TIME 75.4006 LOAD: AVG 0.117583 MAX 0.195668 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.176 MB LDB: TIME 75.4007 LOAD: AVG 0.117583 MAX 0.195668 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.176 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 75.4029 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 75.4069 PRESSURE: 24400 -139.6 268.973 -38.6522 268.973 -226.738 -26.9728 -38.6516 -26.9725 -148.31 GPRESSURE: 24400 -88.2556 215.154 -95.3391 179.5 -233.516 7.69254 -46.9363 -85.1451 -100.371 PRESSAVG: 24400 34.5695 33.3538 -49.7594 33.3539 -36.7104 -7.33218 -49.7595 -7.33234 18.481 GPRESSAVG: 24400 34.4979 33.7703 -49.5864 30.9737 -36.3512 -6.14882 -50.6545 -8.70675 18.7439 TIMING: 24400 CPU: 72.2774, 0.00301973/step Wall: 72.2774, 0.00301973/step, 4.17361 hours remaining, 197.980469 MB of memory in use. ENERGY: 24400 748.8994 2080.4884 1955.5440 122.6677 -206021.4167 17527.3379 0.0000 0.0000 34034.6663 -149551.8130 297.2332 -183586.4793 -149463.6297 297.9147 -171.5494 -140.7140 558337.7035 5.4467 5.6302 PRESSURE: 24600 4.8767 -23.8032 -8.35835 -23.8036 56.0134 -52.7394 -8.35802 -52.7377 -36.9129 GPRESSURE: 24600 94.9085 -18.5127 29.6538 -1.57317 82.4848 -108.401 -44.2272 -102.743 -61.2871 PRESSAVG: 24600 -12.8241 30.7803 2.16434 30.7804 -6.93331 -28.222 2.16434 -28.2221 -9.49295 GPRESSAVG: 24600 -12.6449 28.0816 2.19444 32.6901 -7.19684 -28.2572 3.49332 -29.1284 -9.12237 TIMING: 24600 CPU: 72.868, 0.00295283/step Wall: 72.868, 0.00295283/step, 4.08097 hours remaining, 197.980469 MB of memory in use. ENERGY: 24600 745.4741 2107.2106 1946.6626 112.6275 -206594.4393 17842.4309 0.0000 0.0000 34309.5116 -149530.5220 299.6335 -183840.0336 -149429.4328 297.5614 7.9924 38.7021 558538.5534 -9.7501 -9.6547 PRESSURE: 24800 224.452 -152.35 -72.9113 -152.351 28.89 -1.71419 -72.9117 -1.7124 34.6397 GPRESSURE: 24800 240.666 -169.64 -2.4308 -110.36 66.4775 54.9565 -3.09926 -103.291 79.1841 PRESSAVG: 24800 -30.0462 -57.165 12.6028 -57.165 14.5933 -21.1654 12.6027 -21.1653 -7.74246 GPRESSAVG: 24800 -30.8129 -56.2834 11.2069 -56.3072 14.7572 -21.5219 12.0032 -21.758 -7.95483 TIMING: 24800 CPU: 73.457, 0.00294528/step Wall: 73.457, 0.00294528/step, 4.07037 hours remaining, 197.980469 MB of memory in use. ENERGY: 24800 732.0538 2058.2196 1962.3937 111.3558 -206641.0087 18110.4884 0.0000 0.0000 34244.1046 -149422.3929 299.0623 -183666.4976 -149328.5358 298.7115 95.9939 128.7760 557135.3439 -7.7318 -8.0035 PRESSURE: 25000 -9.1358 -229.698 -78.2119 -229.699 176.709 132.756 -78.2108 132.756 -21.8535 GPRESSURE: 25000 3.87204 -245.3 -22.6381 -184.436 230.628 85.2934 -81.7917 176.683 11.2012 PRESSAVG: 25000 26.4953 -49.7739 26.8238 -49.7738 7.70697 23.0225 26.8238 23.0224 -34.0344 GPRESSAVG: 25000 26.5412 -50.7908 29.1293 -50.2698 7.9934 22.1603 26.8553 24.9125 -34.1813 TIMING: 25000 CPU: 74.0471, 0.00295059/step Wall: 74.0471, 0.00295059/step, 4.07754 hours remaining, 197.980469 MB of memory in use. ENERGY: 25000 716.4905 2151.2268 1990.7066 115.4598 -206170.5405 17796.9228 0.0000 0.0000 34055.3992 -149344.3347 297.4143 -183399.7339 -149259.8494 298.8479 48.5732 81.9005 557118.6571 0.0560 0.1178 PRESSURE: 25200 -270.892 -54.287 36.2523 -54.287 43.6808 97.0521 36.2508 97.0533 -283.555 GPRESSURE: 25200 -247.1 -70.7875 106.787 -84.7529 114.136 124.129 -48.643 87.4703 -279.947 PRESSAVG: 25200 48.5916 -5.89152 28.719 -5.89159 -44.7673 13.8175 28.719 13.8175 -21.418 GPRESSAVG: 25200 48.4892 -4.92126 26.2857 -6.17811 -44.0258 14.4059 29.5615 13.0661 -21.8668 TIMING: 25200 CPU: 74.6376, 0.00295221/step Wall: 74.6376, 0.00295221/step, 4.07962 hours remaining, 197.980469 MB of memory in use. ENERGY: 25200 773.5156 2087.1309 1960.0915 128.2337 -206266.3763 17715.8919 0.0000 0.0000 34177.6867 -149423.8261 298.4822 -183601.5128 -149331.2889 298.7562 -170.2553 -137.6371 557660.4661 -5.8646 -5.8011 PRESSURE: 25400 -55.0283 -11.4406 179.306 -11.4406 -102.619 -1.80869 179.307 -1.80678 -177.111 GPRESSURE: 25400 8.9958 -27.7928 194.143 -40.711 -51.1002 0.0403548 137.51 49.626 -184.704 PRESSAVG: 25400 18.4519 3.81125 -26.145 3.81128 -2.49657 23.7234 -26.145 23.7235 -40.6568 GPRESSAVG: 25400 19.6863 3.78919 -24.4221 3.99597 -3.41555 26.0372 -27.2027 23.9881 -40.2489 TIMING: 25400 CPU: 75.2297, 0.00296072/step Wall: 75.2297, 0.00296072/step, 4.09122 hours remaining, 197.980469 MB of memory in use. ENERGY: 25400 738.1434 2089.4984 1990.5170 112.5865 -206377.4416 17852.4976 0.0000 0.0000 34249.4189 -149344.7797 299.1087 -183594.1986 -149252.1878 298.2962 -111.5860 -75.6027 558710.4625 -8.2338 -7.9927 PRESSURE: 25600 -213.136 -62.916 93.1963 -62.9152 172.577 -216.064 93.1954 -216.064 57.2563 GPRESSURE: 25600 -215.04 -80.6547 178.327 8.23282 242.229 -211.525 77.4728 -252.915 87.9122 PRESSAVG: 25600 -44.4103 -32.2251 12.1726 -32.2251 6.41082 -19.3064 12.1726 -19.3063 31.2467 GPRESSAVG: 25600 -44.7963 -31.2743 10.554 -33.7157 7.03168 -21.1824 12.4919 -17.9252 31.3338 TIMING: 25600 CPU: 75.8224, 0.00296359/step Wall: 75.8224, 0.00296359/step, 4.09503 hours remaining, 197.980469 MB of memory in use. ENERGY: 25600 760.8445 2087.4287 1989.5152 120.1026 -206218.5164 17749.1494 0.0000 0.0000 34065.9697 -149445.5065 297.5066 -183511.4761 -149350.8585 298.6013 5.5659 38.3670 557382.9160 -2.2509 -2.1436 PRESSURE: 25800 -153.542 24.7651 13.9225 24.7654 -6.84457 115.203 13.9224 115.204 -233.33 GPRESSURE: 25800 -90.4391 -34.1217 -19.0375 98.3664 -27.9545 72.7425 -14.8038 103.299 -189.543 PRESSAVG: 25800 8.21078 -1.79642 18.5462 -1.7964 15.7804 -2.8403 18.5461 -2.84046 12.2636 GPRESSAVG: 25800 8.36666 -1.84583 20.159 -1.66718 15.6234 -5.49912 19.6607 -3.13001 11.9568 TIMING: 25800 CPU: 76.4205, 0.00299042/step Wall: 76.4205, 0.00299042/step, 4.13192 hours remaining, 197.980469 MB of memory in use. ENERGY: 25800 738.4884 2097.6290 1972.2267 131.7971 -206042.1338 17640.8780 0.0000 0.0000 34020.4610 -149440.6537 297.1091 -183461.1147 -149348.5971 298.7291 -131.2388 -102.6456 558922.0586 12.0849 11.9823 PRESSURE: 26000 -5.71705 21.7041 -53.0589 21.7036 233.853 29.2105 -53.0589 29.2109 101.648 GPRESSURE: 26000 90.0636 86.5802 -24.9041 -20.7803 196.868 35.4712 -53.8488 53.6609 142.907 PRESSAVG: 26000 -44.0058 -29.7544 30.9438 -29.7543 3.42823 14.1834 30.9438 14.1832 25.0743 GPRESSAVG: 26000 -43.8327 -29.9646 29.2159 -29.4389 4.39723 16.0791 29.688 12.8928 24.5877 TIMING: 26000 CPU: 77.0087, 0.00294111/step Wall: 77.0087, 0.00294111/step, 4.06363 hours remaining, 197.980469 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: 26000 748.8103 2038.0713 1968.8098 124.6846 -206339.1251 18013.8918 0.0000 0.0000 34147.0965 -149297.7609 298.2151 -183444.8574 -149207.2874 298.3019 109.9282 143.2795 559376.2027 -5.1677 -4.9493 PRESSURE: 26200 32.2645 -7.78341 55.7931 -7.78308 -237.4 -149.357 55.7939 -149.357 111.502 GPRESSURE: 26200 18.3265 57.7636 -18.3154 -18.448 -219.951 -106.538 84.9757 -187.569 204.663 PRESSAVG: 26200 26.9334 -11.3749 21.0935 -11.375 -60.0281 9.43087 21.0935 9.43087 -23.7115 GPRESSAVG: 26200 26.1636 -10.9374 22.5729 -10.7769 -61.7882 10.0152 20.9994 8.49548 -21.69 TIMING: 26200 CPU: 77.5989, 0.0029508/step Wall: 77.5989, 0.0029508/step, 4.07686 hours remaining, 197.980469 MB of memory in use. ENERGY: 26200 753.5340 2056.8851 1969.3304 116.9931 -206013.2454 17761.9957 0.0000 0.0000 34150.8657 -149203.6415 298.2480 -183354.5072 -149100.1613 298.8094 -31.2109 1.0130 558220.4075 -18.9354 -19.1049 PRESSURE: 26400 -82.6686 48.528 -3.06031 48.5269 -238.133 45.3185 -3.05955 45.3206 -7.84953 GPRESSURE: 26400 -47.6407 66.508 -91.5716 -57.9628 -154.037 -9.2889 45.3775 124.716 -22.286 PRESSAVG: 26400 -94.4444 -17.7405 10.3106 -17.7405 5.55752 3.06714 10.3106 3.06723 71.7884 GPRESSAVG: 26400 -93.9528 -17.3594 9.05428 -19.0209 5.51622 1.39668 13.1799 6.80558 71.7014 TIMING: 26400 CPU: 78.1882, 0.00294647/step Wall: 78.1882, 0.00294647/step, 4.07071 hours remaining, 197.980469 MB of memory in use. ENERGY: 26400 731.9878 2119.8379 1980.8091 115.2775 -205763.4969 17513.6325 0.0000 0.0000 34277.1428 -149024.8092 299.3508 -183301.9520 -148925.2838 298.8018 -109.5504 -74.6544 558056.8713 -5.6995 -5.5784 PRESSURE: 26600 -60.2326 -15.7613 48.3029 -15.7609 145.367 51.4008 48.3032 51.4013 204.418 GPRESSURE: 26600 -24.4045 -37.0593 -26.7306 -53.6337 150.381 57.4138 81.2449 77.7061 257.808 PRESSAVG: 26600 -29.954 -5.87643 17.6617 -5.87638 26.3585 -3.45612 17.6617 -3.45614 13.2651 GPRESSAVG: 26600 -30.5005 -7.42137 19.9433 -5.9212 27.1399 -3.93574 15.3305 -4.44601 13.0513 TIMING: 26600 CPU: 78.7816, 0.00296714/step Wall: 78.7816, 0.00296714/step, 4.09911 hours remaining, 197.980469 MB of memory in use. ENERGY: 26600 788.2507 2073.5544 1957.5482 118.5156 -206686.7226 17931.4877 0.0000 0.0000 34595.7763 -149221.5898 302.1335 -183817.3661 -149128.8766 298.9826 96.5176 127.9282 555933.4894 3.2232 3.2302 PRESSURE: 26800 -275.838 21.8498 -40.2841 21.8491 -318.255 -129.039 -40.2857 -129.038 7.68861 GPRESSURE: 26800 -226.596 -81.2184 -13.7877 -38.6252 -275.111 -123.42 -46.1835 -108.309 4.96364 PRESSAVG: 26800 -35.2603 12.8979 -1.96963 12.898 17.6429 -43.5656 -1.96962 -43.5658 18.5716 GPRESSAVG: 26800 -35.3724 12.4299 -5.68988 14.7697 17.9462 -42.1232 -2.14876 -46.122 18.3831 TIMING: 26800 CPU: 79.3761, 0.00297245/step Wall: 79.3761, 0.00297245/step, 4.10628 hours remaining, 197.980469 MB of memory in use. ENERGY: 26800 767.0200 2103.8274 1905.1511 114.5476 -205876.7362 17442.3515 0.0000 0.0000 34162.3563 -149381.4824 298.3484 -183543.8387 -149279.7705 298.2184 -195.4682 -165.5812 558220.1213 0.3180 0.3189 PRESSURE: 27000 -151.151 -136.517 -117.375 -136.517 26.0766 12.2552 -117.374 12.2542 -18.7966 GPRESSURE: 27000 -124.88 -94.6393 -169.618 -121.494 48.3797 -20.3934 -104.355 14.665 30.8244 PRESSAVG: 27000 -70.2031 -36.1205 -14.7379 -36.1205 27.8457 -34.7836 -14.738 -34.7837 71.541 GPRESSAVG: 27000 -70.4672 -34.4144 -13.4124 -35.3748 28.9366 -34.6941 -12.1856 -35.0839 70.9326 TIMING: 27000 CPU: 79.9679, 0.00295899/step Wall: 79.9679, 0.00295899/step, 4.08752 hours remaining, 197.980469 MB of memory in use. ENERGY: 27000 756.9715 2041.1077 1968.8557 123.1262 -205910.6630 17641.9973 0.0000 0.0000 34031.1039 -149347.5007 297.2021 -183378.6046 -149253.5215 298.3462 -47.9570 -15.2252 556871.1637 9.7279 9.8007 PRESSURE: 27200 -243.119 -33.6939 -1.14576 -33.6938 8.01687 -62.0086 -1.14618 -62.0082 -5.23232 GPRESSURE: 27200 -148.829 5.58892 -34.5363 68.6112 -0.178745 -69.0346 -39.0479 -71.3701 10.7541 PRESSAVG: 27200 -78.0197 7.43655 -6.09394 7.43653 33.4141 -22.4676 -6.09398 -22.4675 72.697 GPRESSAVG: 27200 -77.1603 5.69444 -6.54518 8.84861 31.9988 -23.5476 -8.98634 -20.7917 73.0002 TIMING: 27200 CPU: 80.5579, 0.00294981/step Wall: 80.5579, 0.00294981/step, 4.07466 hours remaining, 197.980469 MB of memory in use. ENERGY: 27200 756.1268 2021.6213 1977.7875 95.5851 -205926.4314 17654.9640 0.0000 0.0000 34188.2647 -149232.0819 298.5746 -183420.3466 -149138.3597 299.2775 -80.1115 -46.0847 558952.4421 9.3638 9.2795 PRESSURE: 27400 -336.969 -113.823 57.2219 -113.822 -255.653 -59.3355 57.2219 -59.3358 60.6734 GPRESSURE: 27400 -304.097 -120.19 5.56868 -19.6439 -211.44 -11.7579 108.976 -84.3762 79.1092 PRESSAVG: 27400 -20.0537 -12.7534 -13.2766 -12.7536 -32.257 -5.07345 -13.2765 -5.07346 58.6263 GPRESSAVG: 27400 -21.7316 -12.1343 -12.7763 -14.7516 -31.0787 -4.42421 -11.2087 -5.01496 59.2612 TIMING: 27400 CPU: 81.1437, 0.00292921/step Wall: 81.1437, 0.00292921/step, 4.04605 hours remaining, 197.980469 MB of memory in use. ENERGY: 27400 760.1340 2051.7642 1939.2746 121.5029 -206056.3355 17614.5231 0.0000 0.0000 34171.5453 -149397.5915 298.4286 -183569.1368 -149303.0305 298.1838 -177.3161 -145.4760 558494.8990 2.1052 2.1503 PRESSURE: 27600 -74.7626 143.474 77.815 143.475 -359.746 115.549 77.8153 115.547 -222.388 GPRESSURE: 27600 -89.0299 198.112 56.0841 114.289 -262.774 88.9206 71.6968 115.093 -208.203 PRESSAVG: 27600 9.63892 12.9888 51.82 12.9888 -16.6089 -10.1979 51.82 -10.1979 21.0653 GPRESSAVG: 27600 11.1248 12.6634 54.1156 12.049 -17.2466 -9.96775 50.0018 -10.0362 19.9854 TIMING: 27600 CPU: 81.7365, 0.00296409/step Wall: 81.7365, 0.00296409/step, 4.09407 hours remaining, 197.980469 MB of memory in use. ENERGY: 27600 752.5927 2068.0851 1954.6615 120.1787 -206057.4406 17640.7874 0.0000 0.0000 34056.4051 -149464.7301 297.4231 -183521.1352 -149367.1240 298.1899 -218.9657 -186.6691 558315.5207 4.6984 4.6212 PRESSURE: 27800 -16.1968 129.03 8.71661 129.029 -5.55465 92.9521 8.71688 92.9531 53.542 GPRESSURE: 27800 30.16 137.986 -12.2133 100.431 72.8258 85.745 5.4854 64.5171 29.0147 PRESSAVG: 27800 -23.0907 56.061 26.3648 56.061 -35.8679 40.4326 26.3648 40.4326 62.0327 GPRESSAVG: 27800 -23.0537 56.7109 24.6556 55.1366 -35.95 40.115 25.5341 40.8458 62.2792 TIMING: 27800 CPU: 82.3221, 0.00292762/step Wall: 82.3221, 0.00292762/step, 4.04354 hours remaining, 197.980469 MB of memory in use. ENERGY: 27800 715.8404 2092.2318 1924.4411 106.6667 -206250.1429 17926.9341 0.0000 0.0000 33988.6234 -149495.4054 296.8311 -183484.0289 -149400.6332 298.2702 10.5969 44.0002 557706.0479 1.0247 1.0918 PRESSURE: 28000 91.3511 90.0946 89.0851 90.0953 -126.502 114.365 89.0837 114.365 25.7877 GPRESSURE: 28000 164.522 61.9638 127.608 53.1952 -60.9688 101.662 116.049 86.2573 -12.0009 PRESSAVG: 28000 42.361 15.5187 35.0966 15.5186 -17.6492 74.3652 35.0966 74.3651 -22.0646 GPRESSAVG: 28000 42.5432 14.6784 36.2403 16.4529 -17.0496 73.9447 37.8148 73.995 -23.4184 TIMING: 28000 CPU: 82.9123, 0.00295105/step Wall: 82.9123, 0.00295105/step, 4.07573 hours remaining, 197.980469 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: 28000 736.8609 2052.8350 1969.4380 102.2900 -206454.2852 17814.9203 0.0000 0.0000 34174.0981 -149603.8428 298.4509 -183777.9410 -149509.9753 298.0399 -3.1211 30.5174 557267.2872 0.8824 0.6918 PRESSURE: 28200 -65.8177 -179.136 46.639 -179.136 63.6425 228.326 46.6405 228.327 7.02499 GPRESSURE: 28200 -46.5524 -258.677 35.8798 -205.192 86.3355 211.387 58.0871 224.431 64.8475 PRESSAVG: 28200 9.26628 22.2972 10.0206 22.2972 6.74461 43.196 10.0207 43.1959 -27.8154 GPRESSAVG: 28200 8.93571 24.3125 9.34222 22.3075 6.45893 42.4025 9.5907 44.4337 -26.9262 TIMING: 28200 CPU: 83.5002, 0.00293956/step Wall: 83.5002, 0.00293956/step, 4.05969 hours remaining, 197.980469 MB of memory in use. ENERGY: 28200 728.0807 2102.1400 1962.6902 111.7319 -206223.6579 17746.0352 0.0000 0.0000 33961.2977 -149611.6823 296.5925 -183572.9799 -149518.5901 298.1802 1.6166 34.8768 557054.9238 -3.9348 -3.8439 LDB: ============= START OF LOAD BALANCING ============== 86.9264 LDB: ============== END OF LOAD BALANCING =============== 86.9266 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 86.9283 LDB: ============= START OF LOAD BALANCING ============== 87.2237 LDB: Largest compute 4848 load 0.027555 is 23.4% of average load 0.117571 LDB: Average compute 0.001732 is 1.5% of average load 0.117571 LDB: TIME 87.226 LOAD: AVG 0.117571 MAX 0.195322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.301 MB LDB: TIME 87.2263 LOAD: AVG 0.117571 MAX 0.195322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.371 MB LDB: TIME 87.2264 LOAD: AVG 0.117571 MAX 0.195322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.371 MB LDB: ============== END OF LOAD BALANCING =============== 87.2282 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 87.2323 PRESSURE: 28400 -175.111 14.8926 26.893 14.8916 -17.7158 17.7178 26.8924 17.7184 -360.362 GPRESSURE: 28400 -119.206 20.6459 37.382 -38.0068 -36.2142 64.0384 -4.19532 -57.2374 -299.101 PRESSAVG: 28400 17.8816 -43.5729 31.0746 -43.5728 76.7234 72.2786 31.0746 72.2787 -123.318 GPRESSAVG: 28400 16.7526 -44.2518 32.0606 -45.0206 76.5788 72.7656 30.3875 72.5986 -122.775 TIMING: 28400 CPU: 84.1027, 0.00301268/step Wall: 84.1027, 0.00301268/step, 4.16051 hours remaining, 198.183594 MB of memory in use. ENERGY: 28400 778.6517 2061.0272 1953.7235 124.5939 -206227.5493 17520.7923 0.0000 0.0000 34142.1730 -149646.5877 298.1721 -183788.7607 -149550.2264 297.6599 -184.3965 -151.5071 557038.2064 -9.5711 -9.8147 PRESSURE: 28600 -157.188 100.171 -47.0524 100.17 101.586 129.798 -47.0525 129.796 -69.7188 GPRESSURE: 28600 -128.629 88.8908 -37.5762 123.13 111.269 123.91 -50.9119 201.301 -21.2933 PRESSAVG: 28600 -47.3197 24.72 42.7879 24.72 83.7926 13.5254 42.7879 13.5253 -37.0456 GPRESSAVG: 28600 -46.7647 22.9006 42.6298 25.638 83.3897 16.0471 43.2882 11.5121 -37.2824 TIMING: 28600 CPU: 84.6922, 0.00294716/step Wall: 84.6922, 0.00294717/step, 4.06987 hours remaining, 198.183594 MB of memory in use. ENERGY: 28600 716.4536 2052.5136 1946.4494 110.3770 -206417.1712 17778.2919 0.0000 0.0000 34304.9298 -149508.1559 299.5935 -183813.0858 -149405.0787 297.8158 -41.7737 -12.8846 557570.5025 -0.1909 -0.2191 PRESSURE: 28800 -33.5794 -33.5767 -21.1035 -33.5764 257.541 -78.5102 -21.1032 -78.5108 -38.264 GPRESSURE: 28800 -20.2494 -23.575 42.7833 -43.5565 312.137 -15.7419 15.0464 -114.217 -6.88134 PRESSAVG: 28800 -2.08414 42.4893 -52.5586 42.4895 -32.6353 -11.5803 -52.5585 -11.5803 -12.0215 GPRESSAVG: 28800 -1.55475 42.1819 -52.2264 42.1372 -31.349 -12.8533 -52.5955 -11.6782 -13.381 TIMING: 28800 CPU: 85.2805, 0.00294191/step Wall: 85.2805, 0.00294191/step, 4.06245 hours remaining, 198.183594 MB of memory in use. ENERGY: 28800 734.0047 2061.2926 1969.5848 102.9748 -206720.9883 17991.5139 0.0000 0.0000 34155.6196 -149705.9979 298.2895 -183861.6175 -149602.6812 298.4854 61.8993 95.0020 557926.3316 -15.5803 -15.4283 PRESSURE: 29000 -115.022 11.9348 -8.83709 11.9358 86.1767 57.4557 -8.83723 57.4556 -119.87 GPRESSURE: 29000 -72.3132 -43.9583 -33.0067 -24.3543 111.31 -38.8725 -38.9154 61.4772 -99.5323 PRESSAVG: 29000 -61.9454 6.44111 20.555 6.44103 28.8061 -32.5625 20.555 -32.5625 38.0523 GPRESSAVG: 29000 -61.4878 6.75555 18.7047 7.35555 27.2117 -35.0134 20.6985 -31.0212 38.5874 TIMING: 29000 CPU: 85.8727, 0.00296067/step Wall: 85.8727, 0.00296067/step, 4.0882 hours remaining, 198.183594 MB of memory in use. ENERGY: 29000 735.1025 2085.2873 1948.4389 97.0371 -206759.7780 18045.8771 0.0000 0.0000 34332.0154 -149516.0197 299.8300 -183848.0351 -149419.0632 298.3165 -49.5720 -20.1786 559502.8181 1.6376 1.4371 PRESSURE: 29200 -113.368 71.621 124.49 71.6213 -125.845 -58.7139 124.49 -58.7145 -78.9582 GPRESSURE: 29200 -10.7946 15.1487 70.897 125.137 -155.259 -78.4947 123.447 -62.7162 -68.7246 PRESSAVG: 29200 -34.5216 15.4802 15.4979 15.4803 -13.2825 -44.4217 15.4979 -44.4216 42.8101 GPRESSAVG: 29200 -34.8539 16.1814 15.2033 15.5531 -13.0884 -43.4519 16.8128 -45.0382 43.0173 TIMING: 29200 CPU: 86.4618, 0.00294562/step Wall: 86.4618, 0.00294562/step, 4.06725 hours remaining, 198.183594 MB of memory in use. ENERGY: 29200 693.9884 2070.8148 1943.6025 110.3978 -206014.4804 17611.7701 0.0000 0.0000 34193.7560 -149390.1509 298.6226 -183583.9069 -149293.3330 298.2966 -106.0571 -78.2594 558747.9244 -1.6647 -1.6416 PRESSURE: 29400 -131.308 104.18 -94.6907 104.18 -101.129 22.9649 -94.6905 22.9645 -202.024 GPRESSURE: 29400 -107.091 125.878 -2.97083 94.5249 -26.228 47.7789 -90.4104 -15.4099 -206.893 PRESSAVG: 29400 -31.3286 16.7313 -10.2689 16.7314 2.15003 -68.7756 -10.269 -68.7756 34.359 GPRESSAVG: 29400 -31.1239 16.8544 -9.53827 16.9796 2.29231 -67.346 -11.2879 -69.8151 33.7966 TIMING: 29400 CPU: 87.0501, 0.00294152/step Wall: 87.0501, 0.00294152/step, 4.06142 hours remaining, 198.183594 MB of memory in use. ENERGY: 29400 729.9537 2107.0398 1938.9233 103.3879 -205952.7012 17559.5256 0.0000 0.0000 34080.5119 -149433.3590 297.6336 -183513.8709 -149332.6527 298.1210 -144.8207 -113.4039 557356.1383 1.7268 1.6550 PRESSURE: 29600 106.26 -61.0034 -111.094 -61.0033 -70.196 -96.1384 -111.093 -96.139 182.366 GPRESSURE: 29600 137.561 -31.3751 -135.454 -54.7705 -33.0418 -127.319 -89.5124 -114.736 206.584 PRESSAVG: 29600 -33.3767 22.2331 2.31625 22.233 0.953136 14.5128 2.31617 14.5129 46.3556 GPRESSAVG: 29600 -34.1861 21.017 1.23306 22.1022 1.31338 14.1178 1.67409 14.9192 46.4494 TIMING: 29600 CPU: 87.6376, 0.00293761/step Wall: 87.6376, 0.00293761/step, 4.05586 hours remaining, 198.183594 MB of memory in use. ENERGY: 29600 750.5082 2080.1478 1981.3220 103.4874 -206404.8360 18046.8214 0.0000 0.0000 34068.9334 -149373.6157 297.5325 -183442.5491 -149277.2272 298.2530 72.8097 103.7011 558062.2327 4.6440 4.5255 PRESSURE: 29800 -118.931 18.5305 -83.3011 18.5319 -19.91 56.7194 -83.3015 56.719 57.9786 GPRESSURE: 29800 -39.4063 -6.2385 -48.8166 47.652 -16.7001 96.8584 -120.96 -22.3467 80.2737 PRESSAVG: 29800 14.4081 28.6319 10.4306 28.6319 -8.82126 -19.3105 10.4306 -19.3104 11.2693 GPRESSAVG: 29800 14.5295 29.7985 11.1663 27.1505 -8.99875 -19.6184 11.3211 -18.3827 11.6306 TIMING: 29800 CPU: 88.2252, 0.00293765/step Wall: 88.2251, 0.00293765/step, 4.05575 hours remaining, 198.183594 MB of memory in use. ENERGY: 29800 696.3682 2109.4952 1960.8752 121.5619 -206141.4496 17808.3222 0.0000 0.0000 34316.1400 -149128.6869 299.6914 -183444.8269 -149030.9805 298.5822 -26.9541 8.0558 557771.9944 5.6187 5.7204 PRESSURE: 30000 -237.604 34.2124 145.101 34.2133 68.4288 138.481 145.099 138.48 -360.03 GPRESSURE: 30000 -208.101 136.598 82.4055 58.3069 86.5384 178.965 162.546 87.781 -313.724 PRESSAVG: 30000 -6.62292 6.55182 -1.85932 6.5518 19.1693 14.3042 -1.85936 14.3041 -25.7764 GPRESSAVG: 30000 -7.94569 7.06895 -1.73508 7.9428 19.9258 15.5016 -0.864512 13.198 -25.717 TIMING: 30000 CPU: 88.8212, 0.00298032/step Wall: 88.8212, 0.00298032/step, 4.1145 hours remaining, 198.183594 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: 30000 767.0519 2097.4578 1975.9233 115.5826 -205897.3734 17557.3843 0.0000 0.0000 34030.8082 -149353.1653 297.1995 -183383.9735 -149262.7662 299.0972 -176.4016 -145.0957 557844.5878 -4.4100 -4.5790 PRESSURE: 30200 -228.112 199.856 -156.773 199.855 -352.272 23.347 -156.773 23.3469 17.0211 GPRESSURE: 30200 -144.191 313.086 -161.792 86.2556 -304.36 -73.7571 -114.344 27.8634 -10.7544 PRESSAVG: 30200 77.1902 -16.4176 -35.6527 -16.4176 -55.0424 -28.7827 -35.6527 -28.7828 29.4203 GPRESSAVG: 30200 76.7998 -18.1944 -34.2634 -16.7173 -55.2038 -29.874 -36.964 -26.2148 29.932 TIMING: 30200 CPU: 89.4172, 0.00297975/step Wall: 89.4172, 0.00297975/step, 4.11355 hours remaining, 198.183594 MB of memory in use. ENERGY: 30200 762.3470 2161.3883 1972.4094 111.7560 -206264.3108 17547.0677 0.0000 0.0000 34452.9248 -149256.4177 300.8860 -183709.3425 -149158.0635 299.2408 -187.7874 -153.1021 555728.3355 17.1894 17.1760 PRESSURE: 30400 -37.3491 13.34 -109.317 13.3395 -41.147 39.1783 -109.318 39.1791 41.7659 GPRESSURE: 30400 23.1212 122.336 42.3633 -68.6369 -47.8674 -10.271 -130.845 68.4893 97.4815 PRESSAVG: 30400 -68.4258 -25.0724 -46.3856 -25.0723 -27.3875 -69.5361 -46.3855 -69.536 50.4203 GPRESSAVG: 30400 -66.937 -23.9756 -46.9834 -25.0873 -27.3539 -68.8832 -49.0191 -71.4127 48.8562 TIMING: 30400 CPU: 90.0089, 0.00295877/step Wall: 90.0089, 0.00295877/step, 4.08441 hours remaining, 198.183594 MB of memory in use. ENERGY: 30400 727.2642 2103.7098 1995.3196 109.2658 -206342.8107 17794.4546 0.0000 0.0000 34119.3846 -149493.4120 297.9731 -183612.7967 -149392.9892 298.9516 -12.2434 24.2451 555323.4376 -15.1310 -15.1449 PRESSURE: 30600 72.9488 -78.8768 -35.4303 -78.8768 -63.8299 70.2417 -35.43 70.2414 228.806 GPRESSURE: 30600 125.279 -100.671 55.9584 -15.6881 -69.481 18.1986 -33.1025 90.6395 272.751 PRESSAVG: 30600 10.2072 -97.5062 0.0481958 -97.5062 -51.7743 -18.139 0.0481362 -18.1389 56.9033 GPRESSAVG: 30600 8.73015 -99.2862 0.0326025 -95.7782 -52.2609 -17.4742 1.55755 -19.2159 58.5891 TIMING: 30600 CPU: 90.5967, 0.00293866/step Wall: 90.5967, 0.00293866/step, 4.0565 hours remaining, 198.183594 MB of memory in use. ENERGY: 30600 756.3099 2140.4640 1961.6438 130.7012 -206329.5262 17722.1594 0.0000 0.0000 34269.6900 -149348.5579 299.2857 -183618.2479 -149261.1835 298.2732 79.3084 109.5166 554582.8882 5.1120 5.0195 PRESSURE: 30800 384.147 -96.1048 -53.5437 -96.1037 -201.986 -103.158 -53.5439 -103.155 70.8877 GPRESSURE: 30800 354.076 -26.6191 26.3978 -95.3073 -184.356 -86.6083 -35.9872 -114.485 161.88 PRESSAVG: 30800 47.1182 -36.6452 4.10169 -36.6451 -1.26903 -59.5703 4.10163 -59.5702 -32.7143 GPRESSAVG: 30800 47.4114 -34.9376 3.9905 -38.6589 -0.599944 -61.3666 4.97542 -58.9826 -33.0843 TIMING: 30800 CPU: 91.1907, 0.00297017/step Wall: 91.1907, 0.00297017/step, 4.09982 hours remaining, 198.183594 MB of memory in use. ENERGY: 30800 762.5883 2095.9592 1972.7573 106.9088 -206764.6997 17926.1548 0.0000 0.0000 34517.1846 -149383.1466 301.4472 -183900.3312 -149288.9997 299.0794 84.3497 110.5331 555707.0018 4.3783 4.5757 PRESSURE: 31000 228.255 -89.236 -69.854 -89.2336 -0.728463 19.6689 -69.8526 19.6674 -213.337 GPRESSURE: 31000 277.178 -46.0114 -27.8059 -67.514 24.5568 -20.5338 -94.6785 61.6361 -187.15 PRESSAVG: 31000 4.8172 26.771 7.63775 26.7711 -44.3305 45.7044 7.63788 45.7043 68.682 GPRESSAVG: 31000 5.07903 26.1 9.87669 27.0259 -44.3362 46.2927 6.12063 46.2624 68.0653 TIMING: 31000 CPU: 91.7814, 0.00295351/step Wall: 91.7814, 0.00295351/step, 4.07666 hours remaining, 198.183594 MB of memory in use. ENERGY: 31000 746.0354 2066.4350 1956.3108 111.5664 -206276.9735 17744.9922 0.0000 0.0000 34146.5210 -149505.1128 298.2101 -183651.6337 -149410.1177 298.5147 4.7300 38.1950 555117.1074 9.7229 9.6027 PRESSURE: 31200 159.713 189.134 3.4067 189.134 44.8252 7.94312 3.40832 7.94551 -226.27 GPRESSURE: 31200 185.05 165.679 -23.607 210.661 104.714 -28.3622 48.1775 16.6311 -226.413 PRESSAVG: 31200 76.2624 16.3657 -5.15165 16.3656 -11.1454 -12.0078 -5.15169 -12.0078 -42.0675 GPRESSAVG: 31200 74.8072 14.8107 -6.07889 17.8408 -10.6549 -11.1411 -5.33885 -11.3901 -40.7496 TIMING: 31200 CPU: 92.3691, 0.00293861/step Wall: 92.3691, 0.00293861/step, 4.05594 hours remaining, 198.183594 MB of memory in use. ENERGY: 31200 758.9296 2079.8778 1965.1814 116.9359 -206154.5286 17767.6930 0.0000 0.0000 34090.9229 -149374.9880 297.7245 -183465.9109 -149277.7708 299.0642 -7.2440 21.1170 556719.5865 7.6831 7.8009 PRESSURE: 31400 72.6673 0.874314 29.3123 0.874628 -381.106 -32.4378 29.3134 -32.4377 -142.609 GPRESSURE: 31400 149.857 29.8999 30.3495 86.4521 -371.303 -53.2332 19.7727 15.7133 -127.163 PRESSAVG: 31400 50.4818 3.13735 36.061 3.13735 -20.0059 14.1431 36.0611 14.1432 -24.6675 GPRESSAVG: 31400 51.7428 3.07524 35.0751 2.70198 -21.1887 11.9378 37.6772 14.1103 -25.0475 TIMING: 31400 CPU: 92.9608, 0.00295859/step Wall: 92.9608, 0.00295859/step, 4.08335 hours remaining, 198.183594 MB of memory in use. ENERGY: 31400 749.8482 2044.3092 1966.3918 117.1393 -205977.8019 17556.2546 0.0000 0.0000 34162.3685 -149381.4904 298.3485 -183543.8590 -149282.6051 299.1710 -150.3493 -116.2031 556348.1210 1.9361 1.8355 PRESSURE: 31600 -56.6244 -115.848 -9.34559 -115.848 81.6329 197.208 -9.34567 197.206 81.3177 GPRESSURE: 31600 -18.9036 -96.2407 -68.7325 -99.4254 119.348 161.426 5.15437 281.883 110.518 PRESSAVG: 31600 19.5148 -18.804 -7.52637 -18.804 -51.8204 30.3293 -7.52636 30.3293 -8.14843 GPRESSAVG: 31600 20.2559 -15.4924 -7.21161 -18.4503 -52.4387 31.7434 -7.24865 28.309 -8.07242 TIMING: 31600 CPU: 93.5535, 0.00296357/step Wall: 93.5535, 0.00296357/step, 4.09006 hours remaining, 198.183594 MB of memory in use. ENERGY: 31600 743.2582 2104.0620 1986.8009 110.5310 -206571.9780 17946.8690 0.0000 0.0000 34417.0202 -149263.4367 300.5724 -183680.4569 -149160.1322 299.0835 35.4421 70.3206 555880.3337 -13.4847 -13.4184 PRESSURE: 31800 121.516 170.088 64.2337 170.088 61.7167 -146.036 64.2349 -146.038 -256.015 GPRESSURE: 31800 165.732 194.861 128.094 173.265 39.1936 -155.134 97.6599 -108.43 -181.158 PRESSAVG: 31800 -46.4772 12.749 30.2574 12.7491 -16.3351 26.6761 30.2573 26.6761 16.6007 GPRESSAVG: 31800 -47.3412 10.2404 33.0741 13.4725 -15.0584 25.835 28.2927 27.4655 15.5864 TIMING: 31800 CPU: 94.1503, 0.00298359/step Wall: 94.1503, 0.00298359/step, 4.11751 hours remaining, 198.183594 MB of memory in use. ENERGY: 31800 749.5841 2027.4425 1960.0372 107.5160 -206157.0624 17819.5229 0.0000 0.0000 34391.7290 -149101.2306 300.3515 -183492.9596 -149006.0275 299.6048 -24.2608 7.9225 556583.1787 -15.4039 -15.6044 PRESSURE: 32000 -252.057 224.562 19.9137 224.562 -96.7057 251.385 19.9142 251.385 -110.806 GPRESSURE: 32000 -208.648 130.178 1.99212 256.61 -109.531 258.262 56.0726 194.467 -27.4076 PRESSAVG: 32000 81.4878 36.1685 38.524 36.1685 53.8467 34.3888 38.5241 34.3888 -131.206 GPRESSAVG: 32000 81.8386 37.4101 35.4128 35.2419 53.61 35.156 42.7723 35.677 -130.698 TIMING: 32000 CPU: 94.7395, 0.00294622/step Wall: 94.7395, 0.00294622/step, 4.06578 hours remaining, 198.183594 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: 32000 757.9788 2080.5234 1938.3318 118.3962 -205889.4038 17655.6098 0.0000 0.0000 34092.2882 -149246.2756 297.7364 -183338.5638 -149149.8981 299.2656 -153.1894 -115.1956 557406.6372 1.3763 1.5834 PRESSURE: 32200 -143.38 -64.9387 135.352 -64.9403 -172.767 -107.333 135.351 -107.334 -85.4953 GPRESSURE: 32200 -155.771 -82.0173 68.2253 37.9416 -112.752 -82.7626 105.84 -104.548 -46.7688 PRESSAVG: 32200 4.93569 35.8853 48.4746 35.8853 82.0715 -9.33687 48.4748 -9.33682 -94.0528 GPRESSAVG: 32200 4.02949 35.1121 47.7961 37.5112 82.7695 -9.82818 46.3919 -11.7402 -93.2801 TIMING: 32200 CPU: 95.3322, 0.00296339/step Wall: 95.3322, 0.00296339/step, 4.08932 hours remaining, 198.183594 MB of memory in use. ENERGY: 32200 744.2982 2096.2425 1971.3219 107.3720 -205772.5550 17517.3554 0.0000 0.0000 34235.5836 -149100.3813 298.9879 -183335.9650 -149002.6903 299.5953 -133.8808 -105.0971 557800.0455 -2.3485 -2.1604 LDB: ============= START OF LOAD BALANCING ============== 98.7595 LDB: ============== END OF LOAD BALANCING =============== 98.7596 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 98.7612 LDB: ============= START OF LOAD BALANCING ============== 99.0544 LDB: Largest compute 4848 load 0.027195 is 23.1% of average load 0.117541 LDB: Average compute 0.001729 is 1.5% of average load 0.117541 LDB: TIME 99.0568 LOAD: AVG 0.117541 MAX 0.193537 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.922 MB LDB: TIME 99.057 LOAD: AVG 0.117541 MAX 0.193537 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.922 MB LDB: TIME 99.0571 LOAD: AVG 0.117541 MAX 0.193537 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 99.059 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 99.0629 PRESSURE: 32400 -33.1792 -80.8544 115.658 -80.8545 49.8424 -215.452 115.658 -215.452 77.2679 GPRESSURE: 32400 29.1488 -88.4846 161.914 -45.1727 78.3032 -229.799 59.8027 -143.185 79.9596 PRESSAVG: 32400 -25.0131 29.1647 68.0989 29.1646 82.7815 12.0564 68.0988 12.0564 -43.4198 GPRESSAVG: 32400 -23.2288 29.0097 69.4168 28.2536 81.8482 11.3037 68.6865 13.9304 -43.9781 TIMING: 32400 CPU: 95.9331, 0.00300477/step Wall: 95.9331, 0.00300477/step, 4.14624 hours remaining, 198.894531 MB of memory in use. ENERGY: 32400 766.1319 2089.1898 1965.1071 108.3398 -206139.4143 17824.6337 0.0000 0.0000 34319.4465 -149066.5655 299.7203 -183386.0121 -148972.1501 299.6546 31.3104 62.4705 557769.7168 4.7829 4.8805 PRESSURE: 32600 108.686 -134.927 -125.65 -134.925 158.775 47.037 -125.65 47.0384 295.202 GPRESSURE: 32600 146.822 -86.2428 -139.342 -135.232 183.101 -20.9525 -94.6067 92.4065 334.385 PRESSAVG: 32600 11.8893 39.4283 0.333974 39.4285 -13.5977 -5.69058 0.333984 -5.69058 40.1853 GPRESSAVG: 32600 11.9523 38.0175 -0.0587517 38.8143 -12.8 -4.66454 -0.0125744 -6.86218 40.4443 TIMING: 32600 CPU: 96.5199, 0.00293391/step Wall: 96.5199, 0.00293391/step, 4.0483 hours remaining, 198.894531 MB of memory in use. ENERGY: 32600 790.2776 2045.6910 1967.9210 102.3801 -206770.7271 18388.2000 0.0000 0.0000 34282.6748 -149193.5826 299.3991 -183476.2574 -149095.4031 299.4389 187.5546 221.4356 557693.2901 12.8256 13.1989 PRESSURE: 32800 -61.0299 9.31978 22.756 9.31936 71.2192 25.68 22.7554 25.6796 -17.948 GPRESSURE: 32800 -24.2186 38.6389 37.1569 -22.6512 75.9552 15.9795 6.58718 27.8073 21.6541 PRESSAVG: 32800 -35.6791 22.1493 12.8236 22.1493 -1.17427 11.0252 12.8236 11.0252 22.3545 GPRESSAVG: 32800 -37.8349 24.3692 13.8236 20.9193 0.0710691 10.4582 11.8839 12.2359 22.7139 TIMING: 32800 CPU: 97.1093, 0.0029469/step Wall: 97.1093, 0.0029469/step, 4.06607 hours remaining, 198.894531 MB of memory in use. ENERGY: 32800 750.9644 2076.8388 1963.9361 118.9194 -206045.4692 17834.6712 0.0000 0.0000 34138.2656 -149161.8737 298.1380 -183300.1393 -149063.4517 298.9217 -2.5862 24.4635 558900.3989 -4.8330 -5.0166 PRESSURE: 33000 39.5283 79.9847 223.38 79.9828 -132.615 -44.2942 223.38 -44.295 31.0622 GPRESSURE: 33000 86.039 77.5609 198.931 115.591 -53.5407 11.7228 260.676 -54.5111 6.51102 PRESSAVG: 33000 -11.6053 -9.00711 23.0632 -9.00707 7.02382 32.2013 23.0632 32.2014 5.52727 GPRESSAVG: 33000 -9.74128 -10.8036 23.8679 -8.15285 6.37152 32.2553 23.4523 32.2908 4.81719 TIMING: 33000 CPU: 97.704, 0.00297346/step Wall: 97.704, 0.00297346/step, 4.10255 hours remaining, 198.894531 MB of memory in use. ENERGY: 33000 751.5809 2086.1600 1956.0937 110.4408 -206317.2566 17833.9771 0.0000 0.0000 34450.3758 -149128.6282 300.8637 -183579.0039 -149025.1296 299.9903 -20.6750 13.0031 557674.0204 0.3153 0.4825 PRESSURE: 33200 -51.1066 34.5171 -80.8616 34.5176 -193.415 -40.0282 -80.8623 -40.0291 -98.7536 GPRESSURE: 33200 -71.3116 80.7228 -79.8327 5.36814 -157.906 -26.7576 -62.209 -110.337 -26.2309 PRESSAVG: 33200 28.5457 18.4127 61.9636 18.4128 -11.4416 -10.7976 61.9636 -10.7976 -20.2208 GPRESSAVG: 33200 27.4824 20.3442 60.0273 18.4469 -11.8348 -10.1457 62.7102 -12.2054 -19.2567 TIMING: 33200 CPU: 98.2966, 0.00296303/step Wall: 98.2966, 0.00296303/step, 4.088 hours remaining, 198.894531 MB of memory in use. ENERGY: 33200 758.8316 2097.0232 1952.4276 121.8089 -206179.7393 17629.8533 0.0000 0.0000 34460.4956 -149159.2990 300.9521 -183619.7946 -149055.2336 299.7869 -114.4251 -85.1496 557337.5712 -1.0389 -1.2030 PRESSURE: 33400 153.848 91.6588 187.542 91.6582 -56.9262 -17.0658 187.543 -17.0651 -256.42 GPRESSURE: 33400 194.402 69.1606 135.274 84.9756 -41.6697 -5.35707 201.976 -6.78113 -213.83 PRESSAVG: 33400 16.6362 23.4822 -41.2128 23.4822 65.0546 33.0452 -41.2128 33.0453 -59.6591 GPRESSAVG: 33400 16.0625 24.0953 -41.0144 22.5903 65.8377 31.7562 -40.771 35.8503 -59.0283 TIMING: 33400 CPU: 98.8817, 0.00292539/step Wall: 98.8817, 0.00292539/step, 4.03591 hours remaining, 198.894531 MB of memory in use. ENERGY: 33400 737.4681 2058.4159 1958.1195 114.3441 -205908.0085 17714.2214 0.0000 0.0000 34223.1170 -149102.3225 298.8790 -183325.4395 -149003.9511 299.4920 -53.1659 -20.3659 557749.9725 7.3439 7.6240 PRESSURE: 33600 60.4662 197.428 86.4294 197.428 -109.478 -64.8396 86.4299 -64.8416 52.1934 GPRESSURE: 33600 108.162 250.592 86.0814 150.884 -86.0639 -122.481 28.8881 -47.6614 69.0915 PRESSAVG: 33600 -11.1966 29.7073 -0.126464 29.7073 23.7687 -13.1102 -0.126469 -13.1103 20.7431 GPRESSAVG: 33600 -10.4414 30.4275 -1.46939 29.8354 24.3849 -12.5594 0.240713 -15.4078 19.695 TIMING: 33600 CPU: 99.4654, 0.00291868/step Wall: 99.4654, 0.00291868/step, 4.02648 hours remaining, 198.894531 MB of memory in use. ENERGY: 33600 743.5251 2033.6254 1972.6928 112.7771 -206107.6873 17946.7107 0.0000 0.0000 34185.6940 -149112.6623 298.5522 -183298.3562 -149019.2649 299.2823 1.0605 30.3966 557325.0811 11.1051 11.2128 PRESSURE: 33800 0.0837053 -37.1973 140.445 -37.1981 26.0859 -126.837 140.444 -126.836 118.328 GPRESSURE: 33800 28.5655 12.8147 124.918 -32.0398 16.1712 -176.888 115.336 -76.6764 183.259 PRESSAVG: 33800 -18.9937 -10.3429 -0.547483 -10.3429 22.6771 -29.3449 -0.547409 -29.345 -13.8915 GPRESSAVG: 33800 -19.3849 -8.98244 -0.0342321 -11.5145 21.4897 -29.4317 -1.88307 -28.411 -12.4232 TIMING: 33800 CPU: 100.05, 0.00292443/step Wall: 100.05, 0.00292443/step, 4.03424 hours remaining, 198.894531 MB of memory in use. ENERGY: 33800 755.4614 2067.6328 1957.9114 103.2203 -206495.5111 18072.1466 0.0000 0.0000 34381.0888 -149158.0498 300.2586 -183539.1385 -149064.2606 299.5573 48.1659 75.9987 556875.4270 -3.4027 -3.4395 PRESSURE: 34000 99.501 -19.6157 -32.2191 -19.6167 -106.177 3.4995 -32.2191 3.50156 -144.063 GPRESSURE: 34000 152.832 -13.0689 21.5594 68.5248 -69.0662 -73.936 8.42271 9.60827 -128.243 PRESSAVG: 34000 9.25468 17.7884 -7.34979 17.7884 -27.239 0.607379 -7.34975 0.607436 -27.7303 GPRESSAVG: 34000 10.356 14.1933 -6.00984 18.7901 -27.613 0.0190948 -9.86134 -1.39991 -27.7323 TIMING: 34000 CPU: 100.633, 0.00291103/step Wall: 100.633, 0.00291103/step, 4.01561 hours remaining, 198.894531 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: 34000 765.9903 2022.8856 1973.5409 123.8081 -206027.2210 17671.2916 0.0000 0.0000 34421.5170 -149048.1874 300.6117 -183469.7045 -148954.3913 299.0879 -50.2463 -14.8258 557462.2099 -15.2382 -14.9964 PRESSURE: 34200 -63.478 -117.795 83.4052 -117.795 -154.644 101.955 83.4045 101.954 80.1819 GPRESSURE: 34200 -34.9123 -52.3677 78.6607 -121.881 -131.541 184.108 85.4251 -10.2579 114.833 PRESSAVG: 34200 49.8746 20.288 -19.0251 20.288 -17.216 -27.1244 -19.0251 -27.1245 -8.05964 GPRESSAVG: 34200 49.1421 22.3651 -19.0346 19.6114 -16.0501 -24.9041 -16.1517 -27.6805 -8.68158 TIMING: 34200 CPU: 101.222, 0.00294984/step Wall: 101.222, 0.00294984/step, 4.06897 hours remaining, 198.894531 MB of memory in use. ENERGY: 34200 751.3406 2062.5825 1947.5873 108.6350 -206146.2711 17719.8921 0.0000 0.0000 34366.2936 -149189.9400 300.1294 -183556.2336 -149091.7290 299.9439 -45.9800 -17.2068 557481.7978 8.1997 8.1368 PRESSURE: 34400 -304.091 1.10518 2.58784 1.10451 -67.3656 -60.8283 2.58805 -60.829 -35.9779 GPRESSURE: 34400 -312.475 -64.73 5.73881 37.8866 -29.0098 -77.878 10.5946 -16.0097 20.9536 PRESSAVG: 34400 -28.9058 17.2859 14.2452 17.2859 40.0765 -25.5361 14.2452 -25.5362 34.4552 GPRESSAVG: 34400 -29.7195 16.8699 13.5185 18.5018 39.6716 -28.2015 12.5778 -23.4993 35.0411 TIMING: 34400 CPU: 101.816, 0.00296641/step Wall: 101.816, 0.00296641/step, 4.09166 hours remaining, 198.894531 MB of memory in use. ENERGY: 34400 768.3532 2038.2209 1982.8458 118.6906 -206266.0775 17845.5693 0.0000 0.0000 34336.7654 -149175.6324 299.8715 -183512.3977 -149078.8581 300.0346 -135.8115 -106.8436 558837.4597 15.2086 14.9977 PRESSURE: 34600 -40.7335 186.609 -18.0774 186.608 -263.012 78.0009 -18.0774 78.0007 -179.46 GPRESSURE: 34600 9.4597 62.9749 -69.4987 230.083 -198.91 180.863 8.03427 139.177 -180.387 PRESSAVG: 34600 -34.8303 12.0964 -0.576468 12.0965 -7.90906 -12.7782 -0.5763 -12.7782 42.067 GPRESSAVG: 34600 -33.924 13.1262 0.176822 10.3779 -7.7653 -11.1294 -0.965966 -10.8273 41.3716 TIMING: 34600 CPU: 102.416, 0.00300145/step Wall: 102.416, 0.00300145/step, 4.13984 hours remaining, 198.894531 MB of memory in use. ENERGY: 34600 751.1226 2077.5018 1981.2513 112.7640 -205755.4002 17461.4534 0.0000 0.0000 34125.2031 -149246.1040 298.0239 -183371.3071 -149151.1212 299.1347 -161.0685 -123.2790 558253.0980 -0.2241 -0.1059 PRESSURE: 34800 -60.1348 -24.5486 54.8871 -24.5479 -164.894 -21.8144 54.8875 -21.8144 -4.06875 GPRESSURE: 34800 -30.4878 -8.08477 7.89091 -57.0136 -105.631 -128.395 47.984 -22.1197 -2.1607 PRESSAVG: 34800 -12.1159 41.6749 25.2623 41.675 4.62866 1.31438 25.2623 1.31438 21.1765 GPRESSAVG: 34800 -12.8039 38.7259 24.1425 42.9712 4.81885 0.0658003 27.4703 0.941135 21.7236 TIMING: 34800 CPU: 103.015, 0.00299305/step Wall: 103.015, 0.00299305/step, 4.12808 hours remaining, 198.894531 MB of memory in use. ENERGY: 34800 707.1289 2163.2159 1955.1723 109.3962 -206392.6621 17903.1377 0.0000 0.0000 34161.1320 -149393.4791 298.3377 -183554.6111 -149301.3180 298.7539 -76.3657 -46.0932 559320.8512 4.5631 4.5795 PRESSURE: 35000 42.3393 -126.552 -36.3262 -126.552 -24.4543 -176.705 -36.3252 -176.706 -43.2336 GPRESSURE: 35000 137.769 -111.286 1.58609 -26.1349 -32.9708 -149.011 -51.2623 -195.423 -40.6024 PRESSAVG: 35000 -21.3741 16.0679 -4.03276 16.0679 2.83184 0.556844 -4.03279 0.556941 40.1926 GPRESSAVG: 35000 -21.8441 15.8686 -2.08651 17.8513 3.32398 2.03546 -6.80113 -0.428344 39.6061 TIMING: 35000 CPU: 103.606, 0.00295562/step Wall: 103.606, 0.00295562/step, 4.07629 hours remaining, 198.894531 MB of memory in use. ENERGY: 35000 770.0683 2059.5437 1966.0268 99.6326 -206588.3378 18025.5815 0.0000 0.0000 34318.8165 -149348.6683 299.7148 -183667.4848 -149257.2110 298.3267 -8.4495 21.3985 556825.2698 7.2168 7.0287 PRESSURE: 35200 -49.3831 60.5785 -24.7972 60.5782 -73.1376 18.6703 -24.7974 18.669 -88.0998 GPRESSURE: 35200 -45.7726 39.1631 -41.7689 59.4022 2.1805 -26.0574 -7.70798 99.6404 -93.2686 PRESSAVG: 35200 18.2826 10.7948 28.8468 10.7947 -8.12668 -39.5097 28.8468 -39.5098 -17.0929 GPRESSAVG: 35200 19.2914 12.8963 27.2577 10.2735 -9.81688 -39.1002 28.6588 -42.6409 -15.8091 TIMING: 35200 CPU: 104.192, 0.0029299/step Wall: 104.192, 0.0029299/step, 4.04066 hours remaining, 198.894531 MB of memory in use. ENERGY: 35200 766.5654 2096.4788 1939.4308 123.1190 -206253.3387 17784.9416 0.0000 0.0000 34252.8305 -149289.9724 299.1385 -183542.8030 -149197.9537 299.2547 -70.2068 -45.6202 557891.0306 -2.3123 -2.1115 PRESSURE: 35400 9.91342 -95.7437 42.9468 -95.7441 -36.162 -192.266 42.9465 -192.266 -240.459 GPRESSURE: 35400 63.2903 -100.864 50.1892 -118.246 -26.2509 -219.018 33.8977 -207.352 -205.23 PRESSAVG: 35400 2.74202 10.5023 35.3118 10.5022 -7.83783 -31.8321 35.3118 -31.8321 4.03472 GPRESSAVG: 35400 3.05482 9.77682 36.1735 10.22 -6.35343 -34.7738 36.4678 -27.1855 2.50791 TIMING: 35400 CPU: 104.777, 0.00292784/step Wall: 104.777, 0.00292784/step, 4.03765 hours remaining, 198.894531 MB of memory in use. ENERGY: 35400 786.0697 2026.4562 1955.0664 110.4835 -206277.0201 17876.9972 0.0000 0.0000 34139.4532 -149382.4938 298.1483 -183521.9470 -149292.9135 298.7693 -88.9027 -56.0634 557788.5444 -0.3537 -0.2636 PRESSURE: 35600 264.084 -195.764 -170.312 -195.764 -57.0085 -45.5876 -170.31 -45.588 7.32485 GPRESSURE: 35600 268.07 -186.837 -128.332 -152.941 -42.7666 81.3495 -172.162 -160.438 88.7248 PRESSAVG: 35600 -16.1777 -46.7982 69.3356 -46.7983 -1.12615 4.92465 69.3357 4.92462 50.6561 GPRESSAVG: 35600 -16.63 -45.2306 71.2264 -47.2538 -1.36934 6.65205 68.9903 1.50499 51.3486 TIMING: 35600 CPU: 105.364, 0.00293456/step Wall: 105.364, 0.00293456/step, 4.04676 hours remaining, 198.894531 MB of memory in use. ENERGY: 35600 747.2738 2110.4786 1974.4583 118.5718 -206848.1783 18147.8734 0.0000 0.0000 34325.0742 -149424.4482 299.7694 -183749.5223 -149329.8897 299.3638 71.4667 104.6762 556569.1174 11.1174 11.1164 PRESSURE: 35800 -12.3953 -105.06 126.152 -105.06 -198.249 64.7561 126.151 64.7549 116.689 GPRESSURE: 35800 13.4876 -46.2557 108.901 -179.415 -182.586 120.681 70.8441 23.747 185.789 PRESSAVG: 35800 15.6433 -35.5869 -30.406 -35.5869 -0.726044 29.9993 -30.406 29.9993 -4.501 GPRESSAVG: 35800 15.2517 -37.8916 -33.1094 -34.166 -0.380875 28.9583 -28.493 30.87 -4.55086 TIMING: 35800 CPU: 105.961, 0.00298135/step Wall: 105.961, 0.00298135/step, 4.11111 hours remaining, 198.894531 MB of memory in use. ENERGY: 35800 765.1022 2017.4099 1940.8126 115.9508 -206232.6447 17766.4547 0.0000 0.0000 34342.9287 -149283.9859 299.9253 -183626.9145 -149188.6332 299.9229 -31.3186 5.5635 556905.4057 3.4721 3.4400 PRESSURE: 36000 -421.946 -136.476 12.9688 -136.475 -129.907 55.4756 12.9677 55.4744 -181.959 GPRESSURE: 36000 -386.269 -82.1991 24.2246 -103.97 -56.4958 -12.4458 -38.7817 6.48428 -193.106 PRESSAVG: 36000 -20.6433 -14.0632 -10.2615 -14.0633 -4.95283 -29.5542 -10.2616 -29.5542 95.1381 GPRESSAVG: 36000 -20.1128 -13.6424 -10.5136 -14.6376 -5.42455 -26.8333 -11.6139 -31.7289 95.2925 TIMING: 36000 CPU: 106.552, 0.0029553/step Wall: 106.552, 0.0029553/step, 4.07503 hours remaining, 198.894531 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: 36000 764.9557 2076.2160 1938.5440 108.4520 -206042.8064 17523.1118 0.0000 0.0000 34031.5187 -149600.0081 297.2057 -183631.5268 -149509.5290 298.7612 -244.6042 -211.9571 558907.7819 23.1807 23.2517 PRESSURE: 36200 -40.4453 -82.7394 4.55757 -82.7405 -285.812 -88.5909 4.55749 -88.5895 -82.5616 GPRESSURE: 36200 15.5936 -25.6059 68.3309 -99.3729 -290.571 -99.2181 -3.7685 -121.632 -43.8303 PRESSAVG: 36200 23.604 19.6116 -2.87954 19.6116 14.896 7.21283 -2.87952 7.21296 -32.0351 GPRESSAVG: 36200 23.0038 18.4333 -3.96537 19.1243 15.4764 5.40042 -1.24465 10.6148 -32.3831 TIMING: 36200 CPU: 107.141, 0.00294573/step Wall: 107.141, 0.00294573/step, 4.06167 hours remaining, 198.894531 MB of memory in use. ENERGY: 36200 763.1276 2092.8541 1919.4499 116.0501 -206311.8672 17749.4498 0.0000 0.0000 34078.9074 -149592.0283 297.6196 -183670.9357 -149495.8882 298.4060 -136.2730 -106.2692 559465.8671 2.1550 2.0323 LDB: ============= START OF LOAD BALANCING ============== 110.566 LDB: ============== END OF LOAD BALANCING =============== 110.567 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 110.568 LDB: ============= START OF LOAD BALANCING ============== 110.867 LDB: Largest compute 4848 load 0.025986 is 22.1% of average load 0.117667 LDB: Average compute 0.001733 is 1.5% of average load 0.117667 LDB: TIME 110.87 LOAD: AVG 0.117667 MAX 0.198509 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.684 MB LDB: TIME 110.87 LOAD: AVG 0.117667 MAX 0.198509 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.684 MB LDB: TIME 110.87 LOAD: AVG 0.117667 MAX 0.198509 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 110.872 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 110.877 PRESSURE: 36400 -20.4071 8.5433 29.1099 8.54426 -72.041 196.297 29.1096 196.297 37.6425 GPRESSURE: 36400 -7.00016 99.0586 108.997 34.4564 -27.5624 183.682 27.3451 177.165 77.9297 PRESSAVG: 36400 15.4791 -15.953 9.89646 -15.9531 3.30749 -2.21797 9.89643 -2.21793 -31.149 GPRESSAVG: 36400 14.3594 -16.0519 10.4392 -15.1231 4.28078 -1.13519 10.0584 -3.64251 -30.8449 TIMING: 36400 CPU: 107.747, 0.00303154/step Wall: 107.747, 0.00303154/step, 4.17982 hours remaining, 198.964844 MB of memory in use. ENERGY: 36400 760.9192 2080.6848 1953.5246 110.9702 -206222.4374 17731.4577 0.0000 0.0000 33894.7880 -149690.0928 296.0116 -183584.8809 -149595.3949 298.0550 -18.2685 14.4557 557007.0049 -4.1208 -4.0682 PRESSURE: 36600 -331.167 -145.165 -72.2185 -145.164 -59.2392 -79.905 -72.2176 -79.905 -44.9714 GPRESSURE: 36600 -316.769 -178.65 -80.1858 -82.5915 -6.36211 -52.8474 -7.21097 -81.7994 -9.9243 PRESSAVG: 36600 10.0166 11.3851 12.6196 11.3851 -20.3498 -17.2571 12.6197 -17.2572 9.60113 GPRESSAVG: 36600 10.2295 11.2534 13.4512 11.2263 -20.3921 -18.48 13.1604 -15.5839 10.0757 TIMING: 36600 CPU: 108.343, 0.00298219/step Wall: 108.343, 0.00298219/step, 4.11161 hours remaining, 199.167969 MB of memory in use. ENERGY: 36600 732.9551 2061.0357 1985.7103 114.1486 -206304.2569 17635.0574 0.0000 0.0000 34230.0262 -149545.3236 298.9393 -183775.3499 -149456.2279 298.4273 -145.1258 -111.0183 556271.8644 -0.2440 -0.0290 PRESSURE: 36800 -126.325 79.7505 -107.667 79.7504 -321.972 35.7601 -107.667 35.7593 -227.853 GPRESSURE: 36800 -34.5356 113.26 -154.891 67.3969 -264.493 -40.4406 -29.074 82.417 -270.839 PRESSAVG: 36800 -6.6043 41.9688 25.7775 41.9689 -36.0864 -29.2348 25.7775 -29.2347 29.4324 GPRESSAVG: 36800 -5.31502 41.4554 27.3321 43.8121 -36.4813 -30.4217 23.2644 -30.8214 28.8121 TIMING: 36800 CPU: 108.935, 0.0029558/step Wall: 108.935, 0.0029558/step, 4.07506 hours remaining, 199.167969 MB of memory in use. ENERGY: 36800 712.1116 2057.0169 1956.5811 119.1609 -205949.1931 17482.7860 0.0000 0.0000 34199.9939 -149421.5427 298.6771 -183621.5366 -149322.8490 297.9456 -225.3837 -189.9560 557654.8194 -4.4194 -4.3281 PRESSURE: 37000 31.2329 76.8585 -17.4601 76.8585 64.9192 -74.3606 -17.4602 -74.3606 -27.0585 GPRESSURE: 37000 7.79473 135.484 50.3289 123.981 93.0288 -48.286 -84.8234 -168.465 54.6468 PRESSAVG: 37000 87.7529 44.368 -33.8185 44.368 -5.91934 17.3366 -33.8185 17.3365 -26.6093 GPRESSAVG: 37000 87.4418 45.2586 -36.8673 41.5294 -6.22399 18.843 -30.9683 16.7962 -25.6991 TIMING: 37000 CPU: 109.522, 0.00293711/step Wall: 109.522, 0.00293711/step, 4.04914 hours remaining, 199.167969 MB of memory in use. ENERGY: 37000 711.4608 2117.8939 1959.3481 125.2220 -206575.3273 17842.6782 0.0000 0.0000 34377.7226 -149441.0016 300.2292 -183818.7243 -149342.8229 298.9357 23.0312 51.8234 557757.1190 18.4081 18.5062 PRESSURE: 37200 27.5526 -54.9105 -142.335 -54.912 45.7425 -102.219 -142.335 -102.22 240.002 GPRESSURE: 37200 66.8457 -74.9719 -123.296 -68.4488 95.2332 -117.598 -161.342 -127.484 264.479 PRESSAVG: 37200 -52.455 44.5353 -38.0787 44.5354 2.32789 -2.23317 -38.0789 -2.23328 63.4016 GPRESSAVG: 37200 -52.1437 45.6033 -35.4633 45.1886 3.27264 -2.90383 -41.8522 -1.43744 62.8646 TIMING: 37200 CPU: 110.114, 0.00295989/step Wall: 110.114, 0.00295989/step, 4.08038 hours remaining, 199.167969 MB of memory in use. ENERGY: 37200 741.8934 2064.7741 1930.0609 105.1224 -206462.6496 17965.4030 0.0000 0.0000 34120.2823 -149535.1133 297.9809 -183655.3957 -149437.4394 298.0615 104.4323 142.1860 556953.7697 4.4248 4.6645 PRESSURE: 37400 113.026 84.3353 -102.571 84.3351 -49.1885 -104.071 -102.572 -104.071 163.979 GPRESSURE: 37400 113.949 -1.5409 -73.8305 183.92 -20.8712 -150.235 -162.113 -89.2375 236.766 PRESSAVG: 37400 2.69096 17.4378 -20.9296 17.4379 16.9206 9.49202 -20.9296 9.49199 27.8354 GPRESSAVG: 37400 2.20536 15.8315 -21.464 17.0968 16.9977 10.6568 -19.9736 11.3537 28.6894 TIMING: 37400 CPU: 110.707, 0.00296462/step Wall: 110.707, 0.00296462/step, 4.08673 hours remaining, 199.167969 MB of memory in use. ENERGY: 37400 726.2898 2059.8892 1925.5331 104.8283 -206727.6016 18191.2211 0.0000 0.0000 34245.6688 -149474.1715 299.0759 -183719.8402 -149379.8896 297.9697 75.9387 109.9479 558399.6241 15.8157 15.9641 PRESSURE: 37600 174.229 -102.958 -54.6463 -102.958 151.368 154.494 -54.6468 154.494 73.7269 GPRESSURE: 37600 248.417 -122.524 15.0953 -43.3202 152.214 124.637 -22.3745 166.533 98.8912 PRESSAVG: 37600 31.0495 16.2181 -25.2133 16.218 -3.94216 -24.0067 -25.2133 -24.0067 -15.369 GPRESSAVG: 37600 31.1156 14.8793 -25.1776 16.7965 -3.3663 -24.7895 -25.6099 -24.8787 -15.5662 TIMING: 37600 CPU: 111.297, 0.00295106/step Wall: 111.297, 0.00295106/step, 4.06787 hours remaining, 199.167969 MB of memory in use. ENERGY: 37600 736.9043 2044.6381 1964.1682 117.7534 -206331.9987 18034.3725 0.0000 0.0000 34144.8517 -149289.3104 298.1955 -183434.1622 -149188.7976 299.2055 133.1077 166.5076 556656.2330 3.9128 4.0610 PRESSURE: 37800 88.9146 125.272 81.4233 125.271 -122.815 -81.1014 81.4232 -81.101 53.9996 GPRESSURE: 37800 146.038 24.1766 59.9325 177.634 -73.4447 -106.307 144.251 -24.269 47.3827 PRESSAVG: 37800 57.2799 -35.1283 -8.97227 -35.1283 -36.0119 30.9413 -8.97227 30.9413 -36.2182 GPRESSAVG: 37800 57.5171 -35.6779 -8.70026 -34.0663 -37.2026 32.2786 -8.36792 28.6155 -36.592 TIMING: 37800 CPU: 111.891, 0.00297033/step Wall: 111.891, 0.00297033/step, 4.09428 hours remaining, 199.167969 MB of memory in use. ENERGY: 37800 775.3879 2054.3207 1975.2515 115.0956 -206566.4102 18107.9022 0.0000 0.0000 34252.8363 -149285.6161 299.1385 -183538.4524 -149194.2784 298.8411 6.6999 39.9919 557520.7294 -4.9834 -5.4258 PRESSURE: 38000 -80.7001 -24.5835 -30.4856 -24.5843 155.54 155.169 -30.485 155.168 -249.37 GPRESSURE: 38000 -68.2924 77.5261 18.4847 -63.9292 203.567 169.538 -39.4315 206.356 -202.158 PRESSAVG: 38000 -29.5154 -2.27891 -35.8743 -2.2789 84.6288 16.9994 -35.8743 16.9994 -36.7696 GPRESSAVG: 38000 -30.2969 -0.789786 -36.2967 -3.82048 86.5191 16.3955 -36.3664 19.5326 -37.9203 TIMING: 38000 CPU: 112.484, 0.00296457/step Wall: 112.484, 0.00296457/step, 4.08616 hours remaining, 199.167969 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: 38000 755.5655 2074.3892 1945.5471 101.2283 -206381.0006 17994.8992 0.0000 0.0000 34122.0730 -149387.2984 297.9966 -183509.3714 -149288.1683 298.6695 -58.1768 -22.2945 559037.0393 6.1146 6.1006 PRESSURE: 38200 160.541 -186.519 39.6786 -186.518 115.871 17.0589 39.6781 17.0588 -40.896 GPRESSURE: 38200 179.986 -169.445 -33.8481 -232.133 59.8417 119.714 86.9657 7.07531 90.0081 PRESSAVG: 38200 -12.692 -29.4753 9.84997 -29.4753 47.3193 12.0718 9.84991 12.0719 -31.0549 GPRESSAVG: 38200 -11.4995 -29.6751 8.50561 -29.0998 45.3959 14.0915 10.2062 7.72954 -30.7038 TIMING: 38200 CPU: 113.076, 0.00295688/step Wall: 113.076, 0.00295688/step, 4.0754 hours remaining, 199.167969 MB of memory in use. ENERGY: 38200 717.4237 2131.3128 1977.3500 107.9553 -206166.0483 17900.9628 0.0000 0.0000 34138.3572 -149192.6866 298.1388 -183331.0437 -149098.1335 298.7495 78.5056 109.9452 558936.4838 1.1908 1.0642 PRESSURE: 38400 -209.613 -21.3768 -15.8494 -21.3783 -27.8102 3.61709 -15.8489 3.61671 -20.8184 GPRESSURE: 38400 -209.495 -21.0918 -74.0755 60.3083 30.5136 4.47112 -25.0601 0.715298 13.2017 PRESSAVG: 38400 47.9797 -39.1229 35.2626 -39.1229 -19.2419 -2.24067 35.2626 -2.2407 -36.4479 GPRESSAVG: 38400 46.9125 -38.1655 36.3701 -40.9993 -19.3466 -2.57335 34.7087 -0.503381 -35.683 TIMING: 38400 CPU: 113.663, 0.00293839/step Wall: 113.663, 0.00293839/step, 4.04976 hours remaining, 199.167969 MB of memory in use. ENERGY: 38400 752.7089 2050.5776 1956.4281 113.2793 -206108.8798 17892.0103 0.0000 0.0000 34194.6714 -149149.2043 298.6306 -183343.8757 -149062.3114 298.6200 -86.0807 -55.2599 560043.0895 -2.5700 -2.7057 PRESSURE: 38600 -153.059 226.703 169.833 226.703 46.3653 -23.3407 169.831 -23.3399 203.115 GPRESSURE: 38600 -107.501 172.298 187.214 243.826 99.8186 -55.3457 134.829 64.5142 206.633 PRESSAVG: 38600 -31.2699 -6.87499 91.8981 -6.87492 -17.5312 8.2505 91.898 8.25055 31.2424 GPRESSAVG: 38600 -32.259 -6.92826 90.6554 -6.3106 -16.4474 7.60283 95.1405 7.62179 31.1431 TIMING: 38600 CPU: 114.25, 0.00293352/step Wall: 114.25, 0.00293352/step, 4.04288 hours remaining, 199.167969 MB of memory in use. ENERGY: 38600 716.7413 2059.0295 1977.1795 119.8614 -206058.3075 17803.0893 0.0000 0.0000 34409.3854 -148973.0211 300.5057 -183382.4065 -148872.0096 299.8857 32.1406 66.3170 558786.0789 -5.8529 -5.8544 PRESSURE: 38800 -287.431 120.831 86.5214 120.83 -113.311 138.763 86.5213 138.762 -136.055 GPRESSURE: 38800 -246.532 60.6087 74.3696 152.002 -81.0466 179.906 69.1537 159.327 -126.81 PRESSAVG: 38800 -44.3636 28.0297 33.4595 28.0296 2.84106 -11.3836 33.4595 -11.3836 63.1062 GPRESSAVG: 38800 -43.3051 27.489 34.023 28.0831 3.04873 -11.2668 31.6794 -10.943 61.9626 TIMING: 38800 CPU: 114.838, 0.00294292/step Wall: 114.838, 0.00294292/step, 4.05567 hours remaining, 199.167969 MB of memory in use. ENERGY: 38800 752.3478 2097.5780 1952.7381 115.1893 -205649.4908 17582.9672 0.0000 0.0000 34117.9013 -149030.7691 297.9601 -183148.6704 -148925.8452 299.7957 -178.9324 -151.4630 558133.9667 7.1946 7.2354 PRESSURE: 39000 -104.788 149.559 14.1429 149.559 -24.8499 -60.413 14.1421 -60.413 -109.689 GPRESSURE: 39000 -12.5645 77.6552 -57.6206 95.0658 0.556978 -136.243 40.2558 36.3888 -138.225 PRESSAVG: 39000 -69.0332 42.553 45.7096 42.553 49.2523 -8.10871 45.7096 -8.10855 26.189 GPRESSAVG: 39000 -68.6943 41.863 44.439 45.1485 49.0553 -9.01271 45.359 -7.83612 25.8945 TIMING: 39000 CPU: 115.426, 0.00293575/step Wall: 115.426, 0.00293575/step, 4.04563 hours remaining, 199.167969 MB of memory in use. ENERGY: 39000 730.1043 2066.3759 1935.0984 113.7556 -205964.7811 17640.7576 0.0000 0.0000 34289.0485 -149189.6410 299.4548 -183478.6894 -149092.1593 298.6831 -79.7756 -50.0776 557371.3088 2.1361 2.0852 PRESSURE: 39200 -17.0325 109.81 46.4219 109.811 108.897 -181.772 46.4205 -181.773 176.87 GPRESSURE: 39200 -10.2441 78.1413 80.9997 213.893 176.978 -100.808 18.9024 -193.342 182.978 PRESSAVG: 39200 49.1704 77.8042 16.71 77.8042 -40.648 -55.7359 16.7099 -55.736 23.851 GPRESSAVG: 39200 49.1024 79.5319 18.6798 76.4589 -41.3388 -55.3899 16.7147 -57.2435 24.8654 TIMING: 39200 CPU: 116.015, 0.00294688/step Wall: 116.015, 0.00294688/step, 4.0608 hours remaining, 199.167969 MB of memory in use. ENERGY: 39200 771.6687 2080.7719 1929.0738 123.3755 -206381.2447 17987.3975 0.0000 0.0000 34377.8911 -149111.0663 300.2307 -183488.9574 -149018.1926 299.4887 89.5784 116.5709 557824.4503 10.7911 10.8763 PRESSURE: 39400 186.955 24.7889 -25.196 24.7878 165.265 80.3486 -25.1959 80.3493 106.981 GPRESSURE: 39400 221.788 67.6414 20.7982 27.1453 204.219 119.449 -68.5686 51.9495 127.274 PRESSAVG: 39400 5.34856 27.6755 41.7717 27.6756 41.8011 -42.2487 41.7717 -42.2487 5.18532 GPRESSAVG: 39400 5.82078 29.4716 41.3245 25.9831 41.5674 -43.604 42.8525 -42.0465 5.02452 TIMING: 39400 CPU: 116.605, 0.00295084/step Wall: 116.605, 0.00295084/step, 4.0661 hours remaining, 199.167969 MB of memory in use. ENERGY: 39400 718.6692 2096.6045 1961.6703 113.2009 -206016.3953 17959.9510 0.0000 0.0000 34204.3436 -148961.9559 298.7150 -183166.2995 -148870.4018 299.7275 153.0669 184.4270 558744.8155 17.4450 17.4709 PRESSURE: 39600 -229.289 62.4953 185.31 62.4943 -43.6136 9.70587 185.31 9.70704 163.898 GPRESSURE: 39600 -256.35 139.94 193.268 -3.96845 -3.9057 -63.634 189.747 70.0897 249.823 PRESSAVG: 39600 -41.047 14.3634 -2.31529 14.3635 36.1272 -49.5249 -2.3152 -49.525 -36.6863 GPRESSAVG: 39600 -41.8494 12.3896 -2.03303 15.7723 36.4662 -50.3583 -3.32959 -47.8555 -36.5452 TIMING: 39600 CPU: 117.194, 0.00294502/step Wall: 117.194, 0.00294502/step, 4.05791 hours remaining, 199.167969 MB of memory in use. ENERGY: 39600 759.3112 2098.1958 1925.0610 108.7124 -206219.2903 17756.3596 0.0000 0.0000 34406.7929 -149164.8575 300.4831 -183571.6504 -149077.0912 299.5649 -36.3350 -3.4774 557368.3090 -13.8687 -13.9761 PRESSURE: 39800 -230.825 5.15416 -21.0861 5.15428 -63.319 115.362 -21.086 115.362 81.7912 GPRESSURE: 39800 -181.813 -25.3561 -69.1217 5.86154 12.3093 38.7286 -20.8764 218.539 65.3007 PRESSAVG: 39800 -7.05702 19.0803 22.1713 19.0803 -51.1549 -22.3715 22.1713 -22.3715 32.5725 GPRESSAVG: 39800 -5.81536 19.454 22.9319 19.4249 -51.355 -19.5006 20.1265 -22.3025 31.6201 TIMING: 39800 CPU: 117.786, 0.00295715/step Wall: 117.786, 0.00295715/step, 4.07445 hours remaining, 199.167969 MB of memory in use. ENERGY: 39800 789.1076 2079.7979 1975.4944 115.8743 -206046.1011 17662.0973 0.0000 0.0000 34175.1967 -149248.5329 298.4605 -183423.7296 -149154.3120 299.0474 -70.7843 -34.7343 557535.3095 -8.5465 -8.5168 PRESSURE: 40000 37.4599 137.079 129.665 137.077 20.5924 -102.354 129.664 -102.354 104.922 GPRESSURE: 40000 72.5787 143.596 159.815 118.506 63.2911 -123.032 46.7025 -140.69 111.974 PRESSAVG: 40000 -71.1809 39.146 10.8652 39.146 28.0364 12.9861 10.8652 12.9862 11.8766 GPRESSAVG: 40000 -71.6189 37.2505 9.86993 39.6852 27.3757 10.2167 12.3633 12.5829 13.6652 TIMING: 40000 CPU: 118.37, 0.00292093/step Wall: 118.37, 0.00292093/step, 4.02439 hours remaining, 199.167969 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: 40000 721.7834 2178.7901 1974.9153 120.4015 -206432.1545 17910.2391 0.0000 0.0000 34232.6292 -149293.3958 298.9621 -183526.0251 -149200.2971 299.0289 54.3248 82.6147 556643.6867 -10.4227 -10.1927 PRESSURE: 40200 -402.127 -11.6362 -82.8925 -11.6355 -203.701 18.916 -82.8935 18.916 2.49393 GPRESSURE: 40200 -356.032 -14.8554 -30.9191 -111.22 -172.828 -44.1921 -71.6378 14.1717 23.7422 PRESSAVG: 40200 15.5312 -24.9401 20.4205 -24.9401 -26.7716 43.0966 20.4205 43.0966 39.6452 GPRESSAVG: 40200 15.901 -22.6071 18.9636 -26.5514 -25.828 45.0441 20.1794 41.7868 38.3161 TIMING: 40200 CPU: 118.956, 0.00292961/step Wall: 118.956, 0.00292961/step, 4.03619 hours remaining, 199.167969 MB of memory in use. ENERGY: 40200 771.7150 2126.3976 1959.5257 117.9705 -206096.9596 17500.1475 0.0000 0.0000 34227.9363 -149393.2670 298.9211 -183621.2033 -149294.2006 298.9726 -201.1111 -168.3727 557933.0196 9.4683 9.4630 LDB: ============= START OF LOAD BALANCING ============== 122.38 LDB: ============== END OF LOAD BALANCING =============== 122.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 122.381 LDB: ============= START OF LOAD BALANCING ============== 122.676 LDB: Largest compute 4848 load 0.025414 is 21.6% of average load 0.117575 LDB: Average compute 0.001722 is 1.5% of average load 0.117575 LDB: TIME 122.678 LOAD: AVG 0.117575 MAX 0.195009 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.766 MB LDB: TIME 122.678 LOAD: AVG 0.117575 MAX 0.195009 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.766 MB LDB: TIME 122.678 LOAD: AVG 0.117575 MAX 0.195009 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.766 MB LDB: ============== END OF LOAD BALANCING =============== 122.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 122.684 PRESSURE: 40400 109.499 -13.5704 144.981 -13.5691 181.095 36.2585 144.981 36.2577 222.872 GPRESSURE: 40400 154.281 -106.528 117.939 56.1166 237.361 48.5933 96.9921 68.3824 210.777 PRESSAVG: 40400 -47.2201 22.9221 0.750091 22.9221 39.6898 -44.7529 0.750181 -44.7528 16.5758 GPRESSAVG: 40400 -47.5654 21.8463 1.78868 22.9787 39.6529 -47.0628 1.88235 -41.0386 16.9581 TIMING: 40400 CPU: 119.555, 0.0029941/step Wall: 119.555, 0.0029941/step, 4.12487 hours remaining, 198.570312 MB of memory in use. ENERGY: 40400 739.4309 2079.6328 1967.9243 100.0225 -206698.3765 18041.5196 0.0000 0.0000 34297.5242 -149472.3222 299.5288 -183769.8464 -149375.4664 298.3744 171.1555 200.8064 555587.6231 3.0152 3.0152 PRESSURE: 40600 -29.8023 -95.6497 55.397 -95.6471 -102.47 118.719 55.3977 118.72 -166.448 GPRESSURE: 40600 -49.1038 -117.451 31.0165 -87.5711 -119.336 12.8082 71.3039 134.923 -27.2069 PRESSAVG: 40600 -18.0623 3.21818 -38.8007 3.21819 -32.228 -28.1063 -38.8006 -28.1063 22.445 GPRESSAVG: 40600 -18.085 3.8075 -36.5236 3.47988 -32.5244 -26.5148 -38.457 -30.6317 23.1832 TIMING: 40600 CPU: 120.145, 0.00295407/step Wall: 120.145, 0.00295407/step, 4.06955 hours remaining, 198.773438 MB of memory in use. ENERGY: 40600 780.9620 2122.7093 1950.9165 108.7401 -206341.3731 17741.9689 0.0000 0.0000 34145.4482 -149490.6280 298.2007 -183636.0762 -149397.0726 298.1304 -99.5735 -65.2156 557367.4778 -9.2818 -9.1421 PRESSURE: 40800 -97.2741 28.8467 -226.868 28.8468 -142.686 -45.3146 -226.867 -45.3152 44.7269 GPRESSURE: 40800 -50.1892 -40.044 -283.148 57.6509 -93.7394 -127.112 -160.987 -20.5142 34.3093 PRESSAVG: 40800 39.312 -6.89863 -15.767 -6.89857 -26.9148 -16.258 -15.767 -16.258 16.4232 GPRESSAVG: 40800 38.9539 -5.92223 -18.1511 -7.43358 -26.2019 -16.3013 -17.1079 -16.3452 16.2841 TIMING: 40800 CPU: 120.734, 0.0029437/step Wall: 120.734, 0.0029437/step, 4.05511 hours remaining, 198.773438 MB of memory in use. ENERGY: 40800 723.3266 2161.8799 1940.3318 104.8383 -206362.3400 17871.1175 0.0000 0.0000 34115.8587 -149444.9872 297.9423 -183560.8459 -149350.3576 297.8958 -65.0777 -36.5398 556651.2706 9.6068 9.6787 PRESSURE: 41000 -361.584 71.5763 -96.9147 71.5756 -48.2477 -105.91 -96.9159 -105.909 -192.333 GPRESSURE: 41000 -276.929 37.0137 -75.293 93.0325 -44.1947 -113.852 1.35477 -11.9465 -180.58 PRESSAVG: 41000 6.85319 -4.20374 -3.81427 -4.20375 60.3505 -2.36815 -3.81423 -2.36814 -53.2896 GPRESSAVG: 41000 6.74206 -5.88335 -5.49999 -3.30792 61.0176 -3.21477 -3.28667 -1.52019 -53.4879 TIMING: 41000 CPU: 121.329, 0.00297426/step Wall: 121.329, 0.00297426/step, 4.09705 hours remaining, 198.773438 MB of memory in use. ENERGY: 41000 753.8305 2119.7669 1957.0282 111.4120 -205926.8608 17394.3754 0.0000 0.0000 34263.4200 -149327.0278 299.2310 -183590.4478 -149232.4458 298.5111 -200.7214 -167.2345 557891.9891 4.6380 4.7572 PRESSURE: 41200 -280.422 -119.618 -203.796 -119.618 -206.667 -95.358 -203.796 -95.3576 59.342 GPRESSURE: 41200 -226.746 -81.5493 -212.906 -132.49 -167.018 -55.039 -203.486 -46.6595 67.0052 PRESSAVG: 41200 -8.88472 -3.39771 24.3989 -3.39767 37.7178 -49.8225 24.3989 -49.8225 -13.5598 GPRESSAVG: 41200 -8.66884 -2.34164 25.9363 -4.21547 36.814 -48.8332 22.9662 -50.2414 -13.7452 TIMING: 41200 CPU: 121.926, 0.00298702/step Wall: 121.926, 0.00298702/step, 4.11446 hours remaining, 198.773438 MB of memory in use. ENERGY: 41200 715.0502 2063.5128 1960.0649 124.7231 -206215.2482 17686.3821 0.0000 0.0000 34271.5095 -149394.0056 299.3016 -183665.5151 -149301.3574 298.9121 -142.5823 -108.9196 558643.3704 5.0911 4.8000 PRESSURE: 41400 -163.512 -86.8744 -13.1264 -86.8729 -74.9003 14.2464 -13.1273 14.2466 194.902 GPRESSURE: 41400 -42.2401 -25.0864 6.17469 -42.5414 -68.2716 10.5148 -9.40547 31.1186 165.303 PRESSAVG: 41400 -21.8619 -2.89991 18.4762 -2.89986 8.63921 -2.40939 18.4763 -2.40948 15.1088 GPRESSAVG: 41400 -20.5149 -2.44301 21.3943 -1.13504 7.86858 -2.29397 18.6992 -3.85381 14.4418 TIMING: 41400 CPU: 122.523, 0.0029827/step Wall: 122.523, 0.0029827/step, 4.10834 hours remaining, 198.773438 MB of memory in use. ENERGY: 41400 737.0973 2087.2445 1950.1850 104.1431 -206387.5554 17795.5699 0.0000 0.0000 34274.9379 -149438.3778 299.3316 -183713.3157 -149333.7448 298.7576 -14.5034 18.2637 557841.2725 0.6287 0.5985 PRESSURE: 41600 -278.124 8.44362 -124.975 8.44494 -246.061 -187.067 -124.975 -187.066 -249.65 GPRESSURE: 41600 -201.703 -28.2073 -160.828 12.7642 -247.55 -178.683 -177.031 -220.765 -224.67 PRESSAVG: 41600 -15.4346 15.9418 -20.5407 15.9419 -2.88151 -23.0226 -20.5408 -23.0226 -10.4036 GPRESSAVG: 41600 -16.4898 14.7802 -24.9762 15.3956 -3.46936 -22.3022 -19.3251 -22.6473 -8.90381 TIMING: 41600 CPU: 123.115, 0.00295938/step Wall: 123.115, 0.00295938/step, 4.07606 hours remaining, 198.773438 MB of memory in use. ENERGY: 41600 730.4688 2073.5484 1947.9194 116.1194 -205697.1002 17410.4508 0.0000 0.0000 34156.9162 -149261.6772 298.3008 -183418.5934 -149164.5738 298.1374 -257.9454 -224.6409 558148.7290 -9.5732 -9.6210 PRESSURE: 41800 -257.903 -37.5583 37.9249 -37.5584 -337.095 -93.1267 37.9244 -93.1273 6.27497 GPRESSURE: 41800 -196.538 47.7265 85.4174 10.3492 -271.801 -76.3795 69.6066 -96.268 -25.0858 PRESSAVG: 41800 60.4601 68.1473 5.3595 68.1472 -6.47656 -93.5343 5.35948 -93.5342 -4.4544 GPRESSAVG: 41800 60.7584 69.3146 7.05227 66.1637 -6.168 -95.2211 7.1528 -92.2596 -5.08708 TIMING: 41800 CPU: 123.703, 0.00294245/step Wall: 123.703, 0.00294245/step, 4.05258 hours remaining, 198.773438 MB of memory in use. ENERGY: 41800 692.5373 2128.8615 1966.3139 109.5548 -205640.5219 17412.6055 0.0000 0.0000 34121.4681 -149209.1809 297.9913 -183330.6489 -149115.8880 298.7405 -196.2411 -164.4751 557279.9498 16.5097 16.5011 PRESSURE: 42000 168.335 -0.720023 -113.187 -0.718871 181.74 -107.387 -113.188 -107.389 -131.528 GPRESSURE: 42000 177.937 27.6606 -71.4006 -70.7117 171.238 -136.494 -96.467 -62.9454 -30.561 PRESSAVG: 42000 -22.3918 -12.8248 11.25 -12.8247 43.3134 -34.3029 11.25 -34.3029 -63.6687 GPRESSAVG: 42000 -23.047 -11.6254 12.2185 -11.6984 43.4505 -32.591 8.85642 -35.7082 -62.8771 TIMING: 42000 CPU: 124.293, 0.00295083/step Wall: 124.293, 0.00295083/step, 4.06395 hours remaining, 198.773438 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 724.8870 2080.2174 1938.5990 108.0856 -206468.5161 18019.0427 0.0000 0.0000 34434.6765 -149163.0079 300.7266 -183597.6845 -149066.0283 298.9561 72.8489 106.2045 556855.9005 -14.2490 -14.1579 PRESSURE: 42200 358.049 -133.542 13.8493 -133.541 -28.727 153.047 13.8496 153.047 -5.73225 GPRESSURE: 42200 362.951 -149.905 86.5626 -118.311 -31.284 199.958 34.8393 133.934 74.0687 PRESSAVG: 42200 20.3392 -11.9529 -10.1306 -11.9529 30.4971 11.9825 -10.1307 11.9825 -32.6607 GPRESSAVG: 42200 20.4976 -13.3586 -10.7018 -9.29362 30.5754 10.725 -10.5347 11.9351 -33.6594 TIMING: 42200 CPU: 124.88, 0.00293154/step Wall: 124.88, 0.00293154/step, 4.03722 hours remaining, 198.773438 MB of memory in use. ENERGY: 42200 777.1901 2088.5229 1942.3474 104.3516 -206062.9467 17968.5561 0.0000 0.0000 34108.0972 -149073.8814 297.8745 -183181.9787 -148980.3972 299.4328 107.8632 135.2453 558768.3275 6.0585 5.8046 PRESSURE: 42400 186.394 211.346 -72.7402 211.346 225.837 -17.8452 -72.7402 -17.8467 -92.983 GPRESSURE: 42400 232.236 197.746 -143.477 256.03 233.105 32.1025 -56.5973 -21.0397 -43.0445 PRESSAVG: 42400 36.702 -52.6191 11.0162 -52.619 21.9014 25.9056 11.0162 25.9055 -57.0031 GPRESSAVG: 42400 36.6055 -53.8647 9.58156 -53.7839 22.9709 25.8854 11.2148 27.1411 -58.1098 TIMING: 42400 CPU: 125.467, 0.00293462/step Wall: 125.467, 0.00293462/step, 4.0413 hours remaining, 198.773438 MB of memory in use. ENERGY: 42400 750.0535 2073.2702 1953.7670 100.1202 -206161.4790 17966.1497 0.0000 0.0000 34237.4458 -149080.6725 299.0041 -183318.1183 -148988.1774 299.4622 106.4158 140.7657 556748.3568 0.5334 0.4889 PRESSURE: 42600 -262.12 25.3674 -6.71713 25.3687 -64.9653 22.0006 -6.71733 22.0013 -139.451 GPRESSURE: 42600 -257.659 -26.3438 -32.5736 6.88181 -43.0012 12.4967 78.493 -38.0439 -61.009 PRESSAVG: 42600 -26.6463 -23.6456 -25.3171 -23.6457 -39.9301 21.0096 -25.3171 21.0096 34.148 GPRESSAVG: 42600 -26.308 -21.9113 -24.6994 -24.002 -40.8428 19.9372 -25.4999 20.8879 34.7982 TIMING: 42600 CPU: 126.052, 0.00292638/step Wall: 126.052, 0.00292638/step, 4.02978 hours remaining, 198.773438 MB of memory in use. ENERGY: 42600 743.3246 2079.9026 1961.7789 105.3773 -206280.2291 17746.1562 0.0000 0.0000 34296.8338 -149346.8557 299.5228 -183643.6895 -149251.8054 299.3006 -155.5121 -120.5565 556893.7605 -10.8095 -10.7842 PRESSURE: 42800 -191.59 -70.4605 48.0744 -70.4609 33.1582 -33.0295 48.075 -33.0296 -434.774 GPRESSURE: 42800 -198.975 -48.6764 48.485 -89.2495 77.4055 -42.7759 31.3697 -18.5515 -389.347 PRESSAVG: 42800 50.3134 -45.4804 -31.7039 -45.4804 23.9412 -8.31503 -31.7039 -8.31503 -42.1737 GPRESSAVG: 42800 49.8066 -47.5036 -30.6297 -46.2885 23.5854 -5.68944 -31.8391 -9.95827 -42.2527 TIMING: 42800 CPU: 126.64, 0.0029423/step Wall: 126.64, 0.0029423/step, 4.05155 hours remaining, 198.773438 MB of memory in use. ENERGY: 42800 737.5198 2079.8725 1947.6461 104.7418 -206222.6054 17544.5980 0.0000 0.0000 34286.7308 -149521.4965 299.4345 -183808.2273 -149429.1702 299.1702 -197.7352 -170.3057 555552.4566 10.6936 10.3798 PRESSURE: 43000 23.1329 -43.9146 -80.1795 -43.9157 -31.6894 -61.4517 -80.1794 -61.4543 21.3342 GPRESSURE: 43000 70.0623 -132.826 -76.4695 -69.2963 22.1908 -99.4756 -88.1978 -91.8671 13.393 PRESSAVG: 43000 74.093 21.9729 -33.3629 21.973 -47.198 -7.37915 -33.3629 -7.37925 -40.0363 GPRESSAVG: 43000 74.9396 24.4686 -34.5317 20.6987 -46.9467 -8.85456 -32.5045 -5.4932 -40.7991 TIMING: 43000 CPU: 127.231, 0.00295248/step Wall: 127.231, 0.00295248/step, 4.0654 hours remaining, 198.773438 MB of memory in use. ENERGY: 43000 739.2417 2099.3875 1941.1723 109.1837 -206062.0891 17607.7430 0.0000 0.0000 34343.0851 -149222.2758 299.9267 -183565.3609 -149122.4313 299.2317 4.2592 35.2154 557542.5407 -4.3804 -4.2687 PRESSURE: 43200 70.7993 -42.5989 25.7538 -42.5968 37.4512 106.326 25.754 106.327 103.4 GPRESSURE: 43200 60.0483 -123.093 30.5028 -26.8381 95.7379 50.9408 7.9901 96.2358 144.879 PRESSAVG: 43200 26.6016 -16.4258 27.4455 -16.4258 -32.8881 55.136 27.4455 55.136 30.3135 GPRESSAVG: 43200 26.333 -17.7022 26.4548 -14.3601 -32.6708 53.7767 28.0648 54.8246 30.7869 TIMING: 43200 CPU: 127.817, 0.00293261/step Wall: 127.817, 0.00293261/step, 4.03788 hours remaining, 198.773438 MB of memory in use. ENERGY: 43200 770.9388 2155.4185 1979.0004 118.1582 -206487.6034 18036.4731 0.0000 0.0000 34166.7047 -149260.9097 298.3863 -183427.6144 -149166.9424 299.0569 70.5501 100.2216 556448.3019 8.0090 8.1497 PRESSURE: 43400 -232.783 19.1562 162.007 19.1557 -137.103 86.3632 162.007 86.3634 -84.0605 GPRESSURE: 43400 -181.095 27.2644 161.794 102.544 -126.815 128.516 155.235 42.6947 -54.2283 PRESSAVG: 43400 21.868 3.28407 7.69247 3.28408 -72.4625 9.26737 7.69258 9.26729 55.0532 GPRESSAVG: 43400 21.895 4.48765 10.1789 1.12623 -71.6879 9.08496 4.62214 9.79583 54.8875 TIMING: 43400 CPU: 128.406, 0.00294527/step Wall: 128.406, 0.00294527/step, 4.05515 hours remaining, 198.773438 MB of memory in use. ENERGY: 43400 754.0025 2091.2182 1968.0183 141.2528 -205960.9605 17487.2646 0.0000 0.0000 34298.8554 -149220.3487 299.5404 -183519.2041 -149122.8688 299.4091 -151.3156 -120.7128 556607.0254 1.4862 1.6982 PRESSURE: 43600 -1.34224 -36.314 68.0061 -36.3135 157.521 -23.6662 68.0066 -23.6654 302.414 GPRESSURE: 43600 72.4306 -7.76528 31.8572 -1.07874 263.843 62.8344 91.5411 -9.10028 221.529 PRESSAVG: 43600 -86.2097 -9.94404 49.0499 -9.94409 -0.50014 21.8566 49.0498 21.8565 64.9037 GPRESSAVG: 43600 -85.3022 -10.257 47.9758 -9.26685 -1.43139 21.6183 49.9924 22.4043 65.0323 TIMING: 43600 CPU: 129, 0.00296583/step Wall: 129, 0.00296583/step, 4.08328 hours remaining, 198.773438 MB of memory in use. ENERGY: 43600 776.2495 2099.4536 1943.4959 107.7620 -206748.2462 18192.0422 0.0000 0.0000 34346.8303 -149282.4128 299.9594 -183629.2431 -149191.5433 299.6216 152.8642 185.9342 555816.9885 -7.2687 -7.2338 PRESSURE: 43800 -172.14 -125.756 -47.5449 -125.757 16.1391 37.6941 -47.5439 37.6933 -184.779 GPRESSURE: 43800 -91.8827 -103.153 -41.5988 -59.3104 21.912 53.2309 -76.9512 46.793 -174.098 PRESSAVG: 43800 3.28125 -20.615 3.71236 -20.6149 29.4717 -18.5575 3.71238 -18.5575 -31.3486 GPRESSAVG: 43800 3.88876 -21.1458 4.71731 -17.4778 28.6138 -15.4197 4.87319 -19.9736 -30.8646 TIMING: 43800 CPU: 129.597, 0.00298523/step Wall: 129.597, 0.00298523/step, 4.10983 hours remaining, 198.773438 MB of memory in use. ENERGY: 43800 756.3137 2050.7697 1934.7058 114.6773 -206194.5908 17768.7631 0.0000 0.0000 34143.3559 -149426.0052 298.1824 -183569.3611 -149329.7142 299.4294 -113.5932 -81.3563 557059.9354 0.4681 0.5460 PRESSURE: 44000 -159.138 17.1191 -61.5753 17.1187 -40.6377 45.6027 -61.5753 45.6044 109.844 GPRESSURE: 44000 -146.126 -35.9838 20.5766 54.04 30.709 101.332 -148.741 16.275 123.011 PRESSAVG: 44000 -80.1007 3.1117 6.08711 3.11178 60.9763 12.8995 6.08705 12.8995 43.506 GPRESSAVG: 44000 -80.46 0.766493 3.45802 4.58024 62.3915 10.8951 7.1769 15.0052 42.0598 TIMING: 44000 CPU: 130.195, 0.00299224/step Wall: 130.195, 0.00299224/step, 4.11932 hours remaining, 198.773438 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 753.8815 2128.2783 1935.7622 112.1407 -206069.2802 17796.5887 0.0000 0.0000 34040.4229 -149302.2059 297.2835 -183342.6288 -149205.1217 298.1353 -29.9775 2.5313 557403.9491 8.1272 7.9971 PRESSURE: 44200 -235.399 45.9535 -89.7145 45.9555 -358.34 163.752 -89.7145 163.751 -241.68 GPRESSURE: 44200 -222.891 27.3711 -169.923 13.1476 -363.729 148.663 -86.3207 249.694 -149.762 PRESSAVG: 44200 -16.066 44.7137 3.7077 44.7137 -0.0317315 21.3986 3.70771 21.3987 40.4953 GPRESSAVG: 44200 -16.6226 47.7079 7.06168 40.8338 -0.508657 22.427 1.19518 19.8023 41.7868 TIMING: 44200 CPU: 130.79, 0.00297469/step Wall: 130.79, 0.00297469/step, 4.09499 hours remaining, 198.773438 MB of memory in use. ENERGY: 44200 786.2677 2104.3434 1958.2905 113.6050 -205854.1575 17406.8755 0.0000 0.0000 33812.7567 -149672.0188 295.2952 -183484.7755 -149576.9146 298.6622 -278.4728 -245.4606 558417.1862 8.1325 8.2185 LDB: ============= START OF LOAD BALANCING ============== 134.214 LDB: ============== END OF LOAD BALANCING =============== 134.214 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 134.216 LDB: ============= START OF LOAD BALANCING ============== 134.511 LDB: Largest compute 4848 load 0.026768 is 22.7% of average load 0.117705 LDB: Average compute 0.001724 is 1.5% of average load 0.117705 LDB: TIME 134.513 LOAD: AVG 0.117705 MAX 0.195799 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.996 MB LDB: TIME 134.514 LOAD: AVG 0.117705 MAX 0.195799 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.996 MB LDB: TIME 134.514 LOAD: AVG 0.117705 MAX 0.195799 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.996 MB LDB: ============== END OF LOAD BALANCING =============== 134.515 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 134.519 PRESSURE: 44400 -90.0462 -14.1294 -39.9142 -14.1284 -76.8581 19.2155 -39.916 19.2156 -210.361 GPRESSURE: 44400 -74.2456 -21.6855 -17.2601 -57.1374 -18.0699 54.1289 -18.1959 -40.6473 -186.24 PRESSAVG: 44400 25.3079 69.6095 -27.6694 69.6095 52.4959 -13.4896 -27.6695 -13.4896 -0.0401375 GPRESSAVG: 44400 25.8362 68.168 -29.4438 71.4539 51.1094 -15.1652 -26.0153 -11.742 0.241859 TIMING: 44400 CPU: 131.39, 0.00299893/step Wall: 131.39, 0.00299893/step, 4.12819 hours remaining, 200.433594 MB of memory in use. ENERGY: 44400 723.1360 2040.3447 1930.9615 103.2719 -206246.8048 17643.1725 0.0000 0.0000 34062.9363 -149742.9818 297.4801 -183805.9182 -149649.0978 298.1832 -125.7550 -92.8519 557821.9891 25.9212 25.7292 PRESSURE: 44600 30.1517 111.07 -110.167 111.07 -153.118 65.9564 -110.167 65.9569 59.322 GPRESSURE: 44600 29.0489 58.2184 -83.3852 58.9699 -117.95 91.9551 -179.651 -30.2013 109.59 PRESSAVG: 44600 39.9647 16.9122 -68.3553 16.9122 -65.3797 13.5935 -68.3552 13.5935 10.2121 GPRESSAVG: 44600 39.8017 19.0543 -69.4903 13.8062 -65.451 14.6629 -68.4564 11.0622 10.3209 TIMING: 44600 CPU: 131.98, 0.00294884/step Wall: 131.98, 0.00294884/step, 4.05908 hours remaining, 200.578125 MB of memory in use. ENERGY: 44600 741.7734 2080.0980 1954.0034 103.4357 -206600.1565 17752.9265 0.0000 0.0000 34281.1079 -149686.8116 299.3854 -183967.9195 -149588.8242 298.4505 -21.2148 6.8964 556225.1802 -5.0677 -5.1095 PRESSURE: 44800 -35.0844 -66.7142 43.2301 -66.7137 -214.93 66.2004 43.2289 66.2026 81.9244 GPRESSURE: 44800 31.5178 -41.6281 -35.2202 -77.8964 -195.046 132.082 13.7104 17.8142 93.7867 PRESSAVG: 44800 20.3296 28.4013 32.4844 28.4014 -25.8599 -1.33879 32.4844 -1.33874 8.71292 GPRESSAVG: 44800 20.1868 26.6752 30.3888 31.0959 -24.5833 0.330014 32.3516 -0.288251 7.6002 TIMING: 44800 CPU: 132.574, 0.0029729/step Wall: 132.574, 0.0029729/step, 4.09203 hours remaining, 200.578125 MB of memory in use. ENERGY: 44800 757.4716 2118.9293 1946.7289 114.2611 -206373.9565 17685.4125 0.0000 0.0000 34130.4072 -149620.7460 298.0693 -183751.1532 -149527.3349 297.8058 -56.0300 -23.2473 557025.4598 1.0609 1.0679 PRESSURE: 45000 -76.5843 -103.332 -28.1773 -103.331 -88.2035 83.3962 -28.177 83.3964 -9.52478 GPRESSURE: 45000 -76.5044 -86.0439 39.6951 -159.416 -54.3696 82.5805 -102.611 37.9083 54.2227 PRESSAVG: 45000 -49.1088 -22.1789 34.8646 -22.1789 -30.5249 19.8125 34.8645 19.8124 109.509 GPRESSAVG: 45000 -49.5527 -24.3834 36.7858 -21.0483 -30.3007 19.7335 34.0048 17.8407 110.231 TIMING: 45000 CPU: 133.165, 0.00295614/step Wall: 133.165, 0.00295614/step, 4.0688 hours remaining, 200.578125 MB of memory in use. ENERGY: 45000 740.6752 2135.5211 1994.0059 117.4387 -206103.5991 17682.7761 0.0000 0.0000 34046.1731 -149387.0090 297.3337 -183433.1821 -149296.3773 298.6640 -58.1042 -25.5504 556806.4670 9.9584 10.1259 PRESSURE: 45200 -91.2758 -88.3285 -149.053 -88.3281 -49.752 -91.7526 -149.054 -91.753 355.558 GPRESSURE: 45200 15.3731 -140.597 -59.0611 -59.6283 -0.147325 -110.771 -190.698 -124.548 298.827 PRESSAVG: 45200 -27.8257 -40.539 -65.0304 -40.539 -47.3257 -24.8134 -65.0304 -24.8134 83.0005 GPRESSAVG: 45200 -26.7627 -38.7023 -65.0864 -40.2302 -47.7299 -26.1216 -62.8688 -22.6147 82.4075 TIMING: 45200 CPU: 133.76, 0.00297182/step Wall: 133.76, 0.00297182/step, 4.09021 hours remaining, 200.578125 MB of memory in use. ENERGY: 45200 685.8003 2128.6121 1962.8154 119.6466 -206456.9576 17682.3182 0.0000 0.0000 34324.3495 -149553.4155 299.7631 -183877.7650 -149459.5974 299.3155 71.5102 104.6843 555449.6527 2.6164 2.6383 PRESSURE: 45400 3.76663 56.5362 -61.0776 56.5362 -242.698 113.41 -61.0782 113.41 13.8539 GPRESSURE: 45400 -18.3706 73.8133 -23.1636 73.7597 -119.278 126.668 -153.936 127.086 11.0346 PRESSAVG: 45400 -11.3619 -25.5517 -12.3347 -25.5517 -43.9196 -41.3467 -12.3347 -41.3466 88.1736 GPRESSAVG: 45400 -11.4092 -24.5553 -11.3987 -27.2087 -44.1258 -41.657 -13.6764 -42.1013 88.3422 TIMING: 45400 CPU: 134.35, 0.00294944/step Wall: 134.35, 0.00294944/step, 4.05925 hours remaining, 200.578125 MB of memory in use. ENERGY: 45400 751.4748 2099.1119 1952.6244 105.8019 -206545.7378 17848.1908 0.0000 0.0000 34177.3211 -149611.2129 298.4790 -183788.5340 -149517.1773 298.8234 -75.0258 -42.2046 556490.5279 10.9640 10.9357 PRESSURE: 45600 -39.4372 18.0116 37.4844 18.0116 -67.7938 78.9331 37.4836 78.9329 140.469 GPRESSURE: 45600 20.1436 16.8747 -39.3079 110.042 -71.0853 53.6795 36.247 58.0966 181.384 PRESSAVG: 45600 1.37121 7.59384 44.6068 7.59386 2.99028 6.96862 44.6068 6.96867 11.5348 GPRESSAVG: 45600 2.16448 8.29036 41.8853 6.46802 1.92775 7.56121 44.8067 5.70767 12.2043 TIMING: 45600 CPU: 134.939, 0.00294642/step Wall: 134.939, 0.00294642/step, 4.05493 hours remaining, 200.578125 MB of memory in use. ENERGY: 45600 731.2640 2087.7496 1976.2500 123.5357 -206449.4201 17851.3049 0.0000 0.0000 34280.2793 -149399.0366 299.3782 -183679.3159 -149302.3090 298.6182 11.0793 43.4806 556498.8925 5.2988 5.4322 PRESSURE: 45800 -174.584 -62.4202 44.1525 -62.4213 220.166 48.6991 44.1518 48.6998 -244.257 GPRESSURE: 45800 -75.3513 -66.7719 26.07 -34.0085 160.331 32.4656 29.317 68.382 -194.115 PRESSAVG: 45800 -55.7464 27.6256 73.3322 27.6257 -18.2898 11.2719 73.3323 11.2719 36.1983 GPRESSAVG: 45800 -55.2398 25.8055 75.9167 29.523 -17.452 10.1555 72.8154 11.5238 34.3828 TIMING: 45800 CPU: 135.528, 0.00294589/step Wall: 135.528, 0.00294589/step, 4.05404 hours remaining, 200.578125 MB of memory in use. ENERGY: 45800 773.2063 2091.4473 1966.9353 130.4522 -206226.5567 17808.1708 0.0000 0.0000 34251.0270 -149205.3178 299.1227 -183456.3448 -149113.1569 298.7319 -66.2250 -36.3783 556695.9888 -12.6126 -12.7696 PRESSURE: 46000 -121.823 154.641 -52.6091 154.642 21.6965 79.6724 -52.611 79.6731 98.0601 GPRESSURE: 46000 -77.5787 169.446 -50.7047 122.87 39.4126 163.155 -92.88 36.0939 129.522 PRESSAVG: 46000 -0.289593 2.8445 34.875 2.84451 -2.4893 -7.31371 34.875 -7.31368 -3.97722 GPRESSAVG: 46000 -0.672495 3.88072 36.5206 2.39754 -2.8586 -7.29625 34.8398 -7.1606 -3.43859 TIMING: 46000 CPU: 136.119, 0.00295565/step Wall: 136.119, 0.00295565/step, 4.0673 hours remaining, 200.578125 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: 46000 729.4132 2095.4860 1963.1703 117.7048 -206001.9239 17805.6442 0.0000 0.0000 34231.3265 -149059.1788 298.9507 -183290.5053 -148967.5836 299.0032 -0.6888 30.4520 557342.6870 -2.2520 -2.3232 PRESSURE: 46200 11.3615 108.448 -68.1769 108.449 159.123 243.48 -68.1776 243.48 -38.0285 GPRESSURE: 46200 57.9446 140.363 -57.8031 107.385 220.603 191.812 -62.3828 256.889 -51.6794 PRESSAVG: 46200 -16.8171 -34.4431 -29.393 -34.4431 21.3918 -29.3897 -29.3931 -29.3897 -2.06874 GPRESSAVG: 46200 -16.5126 -34.933 -29.861 -35.1443 21.1325 -30.175 -28.5386 -28.0498 -1.61227 TIMING: 46200 CPU: 136.709, 0.00295045/step Wall: 136.709, 0.00295045/step, 4.05998 hours remaining, 200.578125 MB of memory in use. ENERGY: 46200 735.6967 2106.2788 1981.3072 112.2342 -205847.7741 17864.3825 0.0000 0.0000 34325.3621 -148722.5126 299.7719 -183047.8747 -148638.9152 299.6779 44.1521 75.6228 557984.8074 0.8353 1.0026 PRESSURE: 46400 -136.421 -34.7624 54.6847 -34.7627 -62.4521 -67.6799 54.685 -67.6817 -405.797 GPRESSURE: 46400 -64.5984 -25.5027 -3.1594 28.5898 -75.4609 -5.82943 125.208 -80.3345 -370.022 PRESSAVG: 46400 60.8723 -48.333 39.5025 -48.3329 23.7096 -34.3992 39.5024 -34.3993 -35.1592 GPRESSAVG: 46400 59.8549 -46.9129 37.9704 -51.1267 23.572 -31.5225 41.2331 -37.8387 -33.5125 TIMING: 46400 CPU: 137.302, 0.00296324/step Wall: 137.302, 0.00296324/step, 4.07742 hours remaining, 200.578125 MB of memory in use. ENERGY: 46400 783.4358 2083.9454 1957.5179 123.5810 -205656.3923 17617.6988 0.0000 0.0000 34281.1652 -148809.0483 299.3859 -183090.2135 -148712.7600 299.5464 -201.5567 -170.0270 559547.1022 16.4742 16.6381 PRESSURE: 46600 -250.73 99.3464 79.5539 99.3466 -86.453 -114.8 79.5547 -114.799 -0.60692 GPRESSURE: 46600 -184.57 130.718 16.37 97.1297 -53.4858 -142.899 143.716 7.56065 -3.68702 PRESSAVG: 46600 58.7902 15.8502 19.683 15.8502 -28.3692 -26.7155 19.6829 -26.7155 -31.3706 GPRESSAVG: 46600 58.8701 13.9525 18.7826 19.13 -27.504 -29.6846 18.3901 -23.2473 -32.7321 TIMING: 46600 CPU: 137.899, 0.00298347/step Wall: 137.899, 0.00298347/step, 4.10509 hours remaining, 200.578125 MB of memory in use. ENERGY: 46600 766.8287 2088.8437 1955.6293 118.3699 -205440.3190 17422.7320 0.0000 0.0000 34308.7570 -148779.1585 299.6269 -183087.9155 -148682.0509 300.0799 -112.5967 -80.5809 558294.0876 -0.3165 -0.4553 PRESSURE: 46800 36.3189 -61.9842 -67.6672 -61.9839 22.7346 -49.7461 -67.667 -49.7471 166.042 GPRESSURE: 46800 77.36 -13.819 -88.7571 -142.879 48.4647 -37.6431 -85.6979 -97.7917 193.61 PRESSAVG: 46800 51.8713 4.57997 -6.86734 4.57998 -35.7215 -10.3802 -6.86744 -10.3801 -4.5724 GPRESSAVG: 46800 51.7388 3.88006 -6.20082 3.60262 -35.4259 -8.1964 -5.76294 -11.9142 -4.22099 TIMING: 46800 CPU: 138.49, 0.00295432/step Wall: 138.49, 0.00295432/step, 4.06482 hours remaining, 200.578125 MB of memory in use. ENERGY: 46800 718.7368 2073.4456 1969.4125 111.9473 -206235.1873 17831.9566 0.0000 0.0000 34376.9629 -149152.7256 300.2226 -183529.6886 -149055.6199 300.0085 75.0319 106.4781 557148.9606 3.8591 4.0306 PRESSURE: 47000 115.819 -12.7457 105.434 -12.7439 18.5997 -49.9848 105.434 -49.9861 24.8913 GPRESSURE: 47000 65.4263 15.4828 34.6258 -84.4493 82.2681 -95.9205 163.247 -156.94 107.778 PRESSAVG: 47000 -1.11805 -16.0332 71.6477 -16.0333 -17.5976 -37.6538 71.6475 -37.6538 6.08011 GPRESSAVG: 47000 1.13054 -12.529 70.2506 -17.5473 -18.9328 -39.1015 69.3088 -36.3953 5.34319 TIMING: 47000 CPU: 139.078, 0.00294168/step Wall: 139.078, 0.00294168/step, 4.04726 hours remaining, 200.578125 MB of memory in use. ENERGY: 47000 747.6766 2054.7247 1945.8649 118.8971 -206331.4368 17903.6084 0.0000 0.0000 34208.8880 -149351.7771 298.7547 -183560.6651 -149257.1080 299.7430 53.1035 85.1573 556570.6560 -4.2118 -4.1530 PRESSURE: 47200 -29.6664 113.706 34.0812 113.706 370.502 -130.011 34.083 -130.012 -109.136 GPRESSURE: 47200 9.49348 10.3774 40.5664 184.339 457.714 -194.876 126.401 -89.4952 -138.197 PRESSAVG: 47200 17.2274 -21.2959 25.4625 -21.296 43.2904 -15.0287 25.4625 -15.0287 -110.27 GPRESSAVG: 47200 16.5475 -24.8257 27.9068 -18.3825 43.345 -15.8746 26.075 -15.5672 -109.453 TIMING: 47200 CPU: 139.674, 0.00298016/step Wall: 139.674, 0.00298016/step, 4.10003 hours remaining, 200.578125 MB of memory in use. ENERGY: 47200 739.2849 2071.2564 1959.7984 120.5307 -206137.9691 17907.7973 0.0000 0.0000 34202.8546 -149136.4467 298.7020 -183339.3013 -149044.2520 299.4662 77.2331 109.6703 556701.1614 -16.5840 -16.5201 PRESSURE: 47400 -79.0628 -56.2223 33.9667 -56.2224 -19.3681 -12.9382 33.9671 -12.9378 -126.928 GPRESSURE: 47400 -33.2324 -162.952 78.4725 -62.0772 -6.77279 -49.2931 113.791 65.0698 -103.268 PRESSAVG: 47400 53.9138 37.9318 19.9601 37.9318 10.7847 -28.3948 19.9601 -28.3949 -74.3826 GPRESSAVG: 47400 52.7338 39.0032 18.8006 36.6543 11.4553 -24.326 20.695 -29.2869 -74.1613 TIMING: 47400 CPU: 140.266, 0.00296241/step Wall: 140.266, 0.00296241/step, 4.07545 hours remaining, 200.578125 MB of memory in use. ENERGY: 47400 785.6545 2070.6455 1979.7578 107.1428 -206327.6008 17841.9767 0.0000 0.0000 34375.3139 -149167.1096 300.2082 -183542.4235 -149065.9417 299.8710 -75.1197 -47.7578 557725.4786 -3.2280 -3.3241 PRESSURE: 47600 -281.416 -23.8447 -60.8631 -23.843 -30.8912 7.7524 -60.8625 7.75194 -193.586 GPRESSURE: 47600 -250.854 8.8112 -110.737 2.46268 12.62 90.793 -55.4288 -70.235 -171.703 PRESSAVG: 47600 42.4695 -11.449 3.43231 -11.449 -9.95026 67.751 3.43244 67.751 -56.6814 GPRESSAVG: 47600 43.1357 -12.7873 4.12072 -10.4502 -9.14219 66.293 3.72132 68.0081 -57.6116 TIMING: 47600 CPU: 140.855, 0.00294153/step Wall: 140.855, 0.00294153/step, 4.04656 hours remaining, 200.578125 MB of memory in use. ENERGY: 47600 767.9735 2104.5536 1960.8509 108.8832 -205794.1060 17712.9773 0.0000 0.0000 34034.9827 -149103.8848 297.2360 -183138.8675 -149007.5949 299.2388 -168.6311 -136.6457 560420.9623 -8.0541 -7.8727 PRESSURE: 47800 -52.1529 -13.6331 85.6806 -13.6312 -28.5475 67.5138 85.68 67.5133 -115.663 GPRESSURE: 47800 -71.583 126.833 89.0878 -171.903 41.4459 120.289 159.761 12.4355 -66.6178 PRESSAVG: 47800 35.6353 -19.338 21.9917 -19.3381 8.55033 4.6485 21.9917 4.64858 7.82672 GPRESSAVG: 47800 36.0799 -18.9405 22.9211 -20.8379 7.83399 3.21277 21.0049 6.02209 7.86591 TIMING: 47800 CPU: 141.44, 0.00292593/step Wall: 141.44, 0.00292593/step, 4.02495 hours remaining, 200.578125 MB of memory in use. ENERGY: 47800 743.0135 2126.1071 1938.5868 111.9214 -205836.7252 17651.2809 0.0000 0.0000 34156.1164 -149109.6990 298.2939 -183265.8154 -149013.8322 299.4443 -65.4546 -32.2516 557664.2100 17.3374 17.2599 PRESSURE: 48000 -264.162 53.9582 83.7472 53.9579 -102.778 -16.9659 83.7464 -16.9671 -221.541 GPRESSURE: 48000 -308.95 124.19 -20.2313 -61.8688 0.989161 -92.0164 32.3142 81.2784 -177.018 PRESSAVG: 48000 82.3129 56.1691 -7.7549 56.1691 22.829 -16.9235 -7.75488 -16.9235 -107.691 GPRESSAVG: 48000 82.3976 56.9918 -8.06802 56.8527 23.4617 -16.0837 -9.06996 -16.5081 -108.121 TIMING: 48000 CPU: 142.025, 0.00292537/step Wall: 142.025, 0.00292537/step, 4.024 hours remaining, 200.578125 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: 48000 765.1780 2114.0458 1960.4629 107.4617 -206294.9954 17650.6586 0.0000 0.0000 34476.8426 -149220.3459 301.0948 -183697.1884 -149125.5642 298.8134 -196.1604 -161.6596 558425.9573 -0.8497 -0.7540 PRESSURE: 48200 60.4828 -6.79707 46.1962 -6.79655 -165.783 -31.2237 46.1962 -31.2225 -170.855 GPRESSURE: 48200 81.7351 -78.5915 91.8037 -18.0989 -133.365 -44.9075 -8.63702 -54.0006 -129.868 PRESSAVG: 48200 52.9385 -19.2086 43.8818 -19.2085 43.3793 -0.083488 43.8818 -0.0833582 -79.887 GPRESSAVG: 48200 52.8614 -20.987 44.1828 -18.839 41.678 1.55718 44.3244 -2.09631 -79.0805 TIMING: 48200 CPU: 142.613, 0.00293924/step Wall: 142.613, 0.00293924/step, 4.04293 hours remaining, 200.578125 MB of memory in use. ENERGY: 48200 733.8995 2066.4711 1944.2863 111.5510 -205934.4695 17641.6719 0.0000 0.0000 34140.6455 -149295.9443 298.1587 -183436.5898 -149198.6151 298.4676 -92.0519 -60.4992 558543.9663 5.4769 5.1530 LDB: ============= START OF LOAD BALANCING ============== 146.039 LDB: ============== END OF LOAD BALANCING =============== 146.039 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 146.041 LDB: ============= START OF LOAD BALANCING ============== 146.333 LDB: Largest compute 4848 load 0.026798 is 22.8% of average load 0.117715 LDB: Average compute 0.001717 is 1.5% of average load 0.117715 LDB: TIME 146.335 LOAD: AVG 0.117715 MAX 0.195318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.258 MB LDB: TIME 146.335 LOAD: AVG 0.117715 MAX 0.195318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.461 MB LDB: TIME 146.336 LOAD: AVG 0.117715 MAX 0.195318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.461 MB LDB: ============== END OF LOAD BALANCING =============== 146.337 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 146.342 PRESSURE: 48400 -81.0244 -77.4885 -49.9595 -77.4892 83.8646 121.82 -49.96 121.821 -113.79 GPRESSURE: 48400 -22.7815 -164.987 -57.7806 -12.5662 61.5305 52.8231 16.1622 262.596 -65.188 PRESSAVG: 48400 44.7147 15.0929 14.4677 15.0928 42.5264 -32.5706 14.4677 -32.5707 -14.7429 GPRESSAVG: 48400 44.4076 16.6914 11.7799 12.8636 44.9076 -32.6651 15.9865 -32.2144 -16.6248 TIMING: 48400 CPU: 143.212, 0.00299634/step Wall: 143.212, 0.00299634/step, 4.1213 hours remaining, 198.199219 MB of memory in use. ENERGY: 48400 744.8866 2047.2562 1961.6530 116.3252 -206129.6395 17906.4572 0.0000 0.0000 34069.8750 -149283.1864 297.5407 -183353.0614 -149191.1085 298.8904 -36.9832 -8.8130 560201.7290 24.1661 24.2302 PRESSURE: 48600 -68.471 135.38 196.427 135.381 -69.1549 -37.636 196.426 -37.6377 80.5808 GPRESSURE: 48600 -13.913 95.2516 124.781 163.29 -61.8799 -100.319 265.966 -61.0889 113.245 PRESSAVG: 48600 22.5537 27.231 5.1112 27.2309 0.929219 -17.2481 5.11112 -17.248 -55.3292 GPRESSAVG: 48600 22.4834 27.2021 5.2438 28.0228 0.717253 -18.4276 4.60432 -17.1173 -54.9117 TIMING: 48600 CPU: 143.803, 0.00295554/step Wall: 143.803, 0.00295554/step, 4.06501 hours remaining, 198.199219 MB of memory in use. ENERGY: 48600 732.4797 2100.3418 1961.3775 113.6161 -206329.4203 17787.9279 0.0000 0.0000 34308.1819 -149325.4955 299.6219 -183633.6774 -149231.2560 298.3219 -19.0150 12.4841 557505.4129 -10.6154 -10.5704 PRESSURE: 48800 -92.837 117.164 83.5192 117.165 -200.868 -80.0232 83.5189 -80.0234 29.1893 GPRESSURE: 48800 -84.1057 153.579 129.312 -3.41008 -188.868 -40.4424 51.3327 -70.1353 85.7426 PRESSAVG: 48800 -42.3741 13.7693 14.2546 13.7694 -16.3587 -43.6586 14.2545 -43.6587 -4.00468 GPRESSAVG: 48800 -42.2288 12.6742 15.5859 15.932 -16.6944 -43.906 15.3709 -43.0131 -4.27863 TIMING: 48800 CPU: 144.395, 0.00295893/step Wall: 144.395, 0.00295893/step, 4.06952 hours remaining, 198.199219 MB of memory in use. ENERGY: 48800 748.6558 2118.9062 1955.5470 118.6826 -206500.9878 17836.6605 0.0000 0.0000 34419.9521 -149302.5836 300.5980 -183722.5357 -149205.1472 299.0751 -88.1719 -62.4102 557946.2235 -20.9125 -21.0673 PRESSURE: 49000 -2.90572 48.1855 10.5202 48.186 -51.5526 -77.5567 10.5198 -77.5562 -240.757 GPRESSURE: 49000 -12.6027 -28.4405 66.7671 74.0136 -7.00898 -59.049 -16.9452 -177.46 -180.39 PRESSAVG: 49000 -25.543 -14.4207 21.363 -14.4207 55.0915 -20.082 21.363 -20.082 -83.2071 GPRESSAVG: 49000 -26.6028 -14.0485 21.2911 -16.8873 55.4221 -19.4981 19.7076 -20.9012 -81.6511 TIMING: 49000 CPU: 144.987, 0.00295965/step Wall: 144.987, 0.00295965/step, 4.07034 hours remaining, 198.199219 MB of memory in use. ENERGY: 49000 710.6420 2111.0875 1955.5369 121.5840 -206167.4168 17875.3053 0.0000 0.0000 34216.5123 -149176.7488 298.8213 -183393.2610 -149080.6052 298.9781 -98.4052 -66.6671 560193.9079 -17.8862 -17.6106 PRESSURE: 49200 -111.659 133.232 49.547 133.231 220.674 -16.9986 49.5464 -16.9977 -125.905 GPRESSURE: 49200 -39.3228 139.37 -33.0218 22.4502 209.152 -3.99577 93.1363 35.2578 -84.3667 PRESSAVG: 49200 2.47942 -71.3462 8.04435 -71.3462 47.691 -20.6904 8.04431 -20.6903 -63.2415 GPRESSAVG: 49200 2.19085 -69.6255 9.16593 -73.5726 47.597 -21.2251 8.07541 -19.5196 -62.1752 TIMING: 49200 CPU: 145.574, 0.00293522/step Wall: 145.574, 0.00293522/step, 4.03658 hours remaining, 198.199219 MB of memory in use. ENERGY: 49200 712.9721 2083.9929 1956.1752 121.8406 -206107.1560 17850.4564 0.0000 0.0000 34071.2378 -149310.4809 297.5526 -183381.7187 -149211.7932 298.9346 -5.6299 28.4875 558509.3154 -4.3570 -4.1291 PRESSURE: 49400 -124.089 -57.8112 95.492 -57.812 179.072 34.8819 95.4939 34.8814 -72.5119 GPRESSURE: 49400 -37.9178 -48.7094 104.001 23.3603 229.948 12.376 53.3637 88.4132 -113.522 PRESSAVG: 49400 -22.4175 -9.63512 4.74316 -9.63512 52.8817 -7.46461 4.7431 -7.46467 17.0206 GPRESSAVG: 49400 -21.5799 -10.5176 2.14541 -8.9836 52.8793 -5.70584 5.54016 -9.00345 16.3473 TIMING: 49400 CPU: 146.16, 0.00292994/step Wall: 146.16, 0.00292994/step, 4.02915 hours remaining, 198.199219 MB of memory in use. ENERGY: 49400 740.5256 2056.5627 1960.0841 112.3115 -206404.3524 17916.2232 0.0000 0.0000 34244.8082 -149373.8371 299.0684 -183618.6453 -149276.0069 299.0985 -5.8429 26.1696 558333.3312 15.8283 15.8822 PRESSURE: 49600 149.735 -175.61 70.2431 -175.61 37.8017 46.6535 70.2435 46.6524 51.4657 GPRESSURE: 49600 162.5 -143.92 -65.8912 -220.882 114.413 50.6575 187.598 23.1419 52.9123 PRESSAVG: 49600 26.6076 -28.3022 -10.1429 -28.3021 -7.20318 27.87 -10.1428 27.87 -9.75089 GPRESSAVG: 49600 27.106 -28.9777 -8.37853 -26.8571 -7.14696 25.6205 -8.9121 28.9144 -10.6279 TIMING: 49600 CPU: 146.749, 0.00294367/step Wall: 146.749, 0.00294367/step, 4.04787 hours remaining, 198.199219 MB of memory in use. ENERGY: 49600 711.5533 2037.4192 1935.4748 110.3911 -206349.9739 18003.7910 0.0000 0.0000 34080.4470 -149470.8976 297.6330 -183551.3446 -149375.3949 298.6982 79.6673 109.9418 557866.8276 3.2178 3.1104 PRESSURE: 49800 77.3678 -164.163 -55.7617 -164.164 15.6702 43.6428 -55.7626 43.6408 -199.376 GPRESSURE: 49800 89.2597 -154.069 -22.1409 -156.438 76.6539 50.6182 -20.1673 46.0769 -169.832 PRESSAVG: 49800 32.1448 16.4082 -5.72042 16.4082 9.79714 27.6422 -5.72034 27.6422 -41.3071 GPRESSAVG: 49800 32.9136 15.2497 -5.86448 17.6427 9.1215 29.6703 -5.83564 28.2052 -41.3051 TIMING: 49800 CPU: 147.334, 0.00292719/step Wall: 147.334, 0.00292719/step, 4.02504 hours remaining, 198.199219 MB of memory in use. ENERGY: 49800 778.3809 2000.5023 1951.4857 119.4517 -205992.5616 17688.9905 0.0000 0.0000 34235.2245 -149218.5260 298.9847 -183453.7506 -149129.1527 298.9994 -35.4459 -1.3061 556391.7057 0.2116 0.2433 PRESSURE: 50000 12.9525 -37.3241 -27.8182 -37.3238 -6.54785 124.001 -27.8187 124 171.471 GPRESSURE: 50000 82.4773 57.4305 49.8455 -11.5285 -9.19968 111.372 -77.6064 152.809 207.198 PRESSAVG: 50000 56.1714 -2.14235 32.0234 -2.1424 49.3685 54.4847 32.0234 54.4847 -51.3669 GPRESSAVG: 50000 56.3789 -2.55097 35.0425 -2.16349 49.8313 52.4701 28.0273 52.4436 -52.4616 TIMING: 50000 CPU: 147.92, 0.00292774/step Wall: 147.92, 0.00292774/step, 4.02564 hours remaining, 198.199219 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: 50000 735.7743 2077.9459 1954.4604 118.9168 -206547.9596 18048.7262 0.0000 0.0000 34366.8781 -149245.2578 300.1345 -183612.1360 -149146.0728 299.7238 59.2918 93.4918 556302.4374 18.0577 17.9162 PRESSURE: 50200 -35.5549 131.283 78.3703 131.282 48.1931 -16.4267 78.3704 -16.426 -40.539 GPRESSURE: 50200 22.2668 49.9438 122.893 178.073 72.2276 17.3641 20.9438 -20.9584 -14.7562 PRESSAVG: 50200 15.8787 5.96058 -21.3412 5.96066 5.40864 20.6071 -21.3412 20.607 -15.1115 GPRESSAVG: 50200 15.237 6.04376 -26.3384 5.67268 5.59226 22.453 -18.177 22.644 -14.1836 TIMING: 50200 CPU: 148.509, 0.00294669/step Wall: 148.509, 0.00294669/step, 4.05153 hours remaining, 198.199219 MB of memory in use. ENERGY: 50200 756.8624 2110.7778 1938.3280 111.1818 -205937.8290 17722.6908 0.0000 0.0000 34071.3426 -149226.6455 297.5535 -183297.9881 -149131.5849 298.4095 -9.3003 26.5794 557173.0945 2.0586 2.2152 PRESSURE: 50400 2.92022 -80.5737 -135.067 -80.5727 -228.512 -69.9293 -135.067 -69.9304 -1.40095 GPRESSURE: 50400 72.9338 -73.4625 -218.596 -48.3019 -178.546 -128.735 -114.82 -124.51 -22.356 PRESSAVG: 50400 43.7116 51.1421 -50.0433 51.1421 4.96961 8.36306 -50.0432 8.36319 -71.5365 GPRESSAVG: 50400 43.4415 53.2729 -46.5923 49.5365 4.33102 6.94645 -50.6847 6.00195 -70.7909 TIMING: 50400 CPU: 149.096, 0.00293711/step Wall: 149.096, 0.00293711/step, 4.03821 hours remaining, 198.199219 MB of memory in use. ENERGY: 50400 728.4957 2036.4310 1965.9645 109.8007 -206074.1815 17699.5612 0.0000 0.0000 34174.2986 -149359.6299 298.4526 -183533.9285 -149269.1850 298.1042 -75.6641 -42.6562 557152.8570 -7.6184 -7.6728 PRESSURE: 50600 114.874 7.73939 -88.4145 7.7397 -194.353 -18.7422 -88.4151 -18.7392 46.201 GPRESSURE: 50600 121.216 -0.174994 -74.1444 -20.6737 -115.096 -9.93908 -87.6674 35.98 54.4323 PRESSAVG: 50600 46.7858 29.1438 21.9013 29.1438 -59.2718 -35.6631 21.9013 -35.6632 33.2178 GPRESSAVG: 50600 47.9068 27.0264 19.8322 31.6092 -59.8746 -36.2943 23.1283 -33.6753 32.4262 TIMING: 50600 CPU: 149.682, 0.00292831/step Wall: 149.682, 0.00292831/step, 4.02594 hours remaining, 198.199219 MB of memory in use. ENERGY: 50600 701.3895 2037.6504 1962.4159 111.5898 -205934.9529 17641.5821 0.0000 0.0000 34198.7882 -149281.5370 298.6665 -183480.3252 -149183.4465 298.7561 -11.0927 20.1842 556403.5180 6.9106 6.8195 PRESSURE: 50800 104.9 54.0547 -28.3773 54.0536 10.2353 237.468 -28.3777 237.468 160.755 GPRESSURE: 50800 163.716 85.3606 50.898 -30.561 45.9194 342.094 -129.861 146.487 146.463 PRESSAVG: 50800 26.142 64.5792 -53.2361 64.5791 -23.3631 39.6338 -53.2362 39.6337 -1.57496 GPRESSAVG: 50800 26.1401 66.2376 -49.5121 62.6409 -22.604 40.8302 -54.9458 40.0908 -2.28661 TIMING: 50800 CPU: 150.269, 0.00293639/step Wall: 150.269, 0.00293639/step, 4.03688 hours remaining, 198.199219 MB of memory in use. ENERGY: 50800 742.6837 2070.1363 1996.7819 113.8894 -206668.5748 18100.4856 0.0000 0.0000 34343.9208 -149300.6771 299.9340 -183644.5979 -149205.8381 298.6268 91.9634 118.6993 557148.8803 0.4013 0.4165 PRESSURE: 51000 -77.0994 166.113 10.8017 166.114 13.7957 -75.1267 10.8007 -75.1253 -36.5156 GPRESSURE: 51000 -69.8048 184.048 -17.6498 204.254 6.51548 -112.629 109.374 -78.4231 47.835 PRESSAVG: 51000 35.0243 14.8712 27.0575 14.8712 -25.8409 32.7774 27.0575 32.7774 6.07039 GPRESSAVG: 51000 33.678 15.5048 26.0329 14.4216 -26.8744 33.5437 29.0455 32.3066 8.3519 TIMING: 51000 CPU: 150.857, 0.00293836/step Wall: 150.857, 0.00293836/step, 4.03942 hours remaining, 198.199219 MB of memory in use. ENERGY: 51000 746.4187 2088.7339 1962.5075 121.5592 -206211.4146 17704.3842 0.0000 0.0000 34149.5900 -149438.2210 298.2369 -183587.8110 -149351.0883 298.5660 -33.2731 -5.1514 556431.1372 5.0846 5.0518 PRESSURE: 51200 -134.287 52.376 194.903 52.3763 278.927 213.687 194.906 213.686 -37.7229 GPRESSURE: 51200 -69.5139 88.1808 172.901 -13.674 333.612 162.016 199.62 366.523 -57.0819 PRESSAVG: 51200 -22.8499 3.18579 0.788802 3.18577 0.09102 11.1881 0.788865 11.1881 -1.97817 GPRESSAVG: 51200 -22.8019 2.56789 -0.596542 4.96026 2.12659 8.7073 0.568403 12.7953 -4.38317 TIMING: 51200 CPU: 151.446, 0.00294377/step Wall: 151.446, 0.00294377/step, 4.0467 hours remaining, 198.199219 MB of memory in use. ENERGY: 51200 743.3671 2090.9507 1955.3811 104.2195 -206476.2107 18023.5492 0.0000 0.0000 34182.3133 -149376.4298 298.5226 -183558.7431 -149280.8492 298.1899 35.6390 69.0054 556125.8868 -8.2457 -8.3528 PRESSURE: 51400 131.517 -81.326 -144.38 -81.3249 225.207 109.973 -144.38 109.974 -74.7387 GPRESSURE: 51400 153.318 -144.978 -136.215 -24.4175 253.116 22.7799 -113.615 76.6604 -22.8307 PRESSAVG: 51400 -38.8002 -1.98343 -81.6911 -1.98338 65.2953 65.8372 -81.6912 65.8372 -46.616 GPRESSAVG: 51400 -38.7941 -0.187702 -82.6651 -4.2086 64.4052 68.328 -82.333 64.7845 -45.2299 TIMING: 51400 CPU: 152.035, 0.00294474/step Wall: 152.035, 0.00294475/step, 4.04788 hours remaining, 198.199219 MB of memory in use. ENERGY: 51400 745.3074 2099.8102 1952.8313 109.7486 -206749.9577 18080.4357 0.0000 0.0000 34351.6132 -149410.2113 300.0012 -183761.8245 -149311.9376 299.1487 93.9950 127.8677 556402.5926 -6.7070 -6.5396 PRESSURE: 51600 -6.49664 86.211 -11.133 86.2115 165.173 -108.763 -11.1341 -108.764 -114.338 GPRESSURE: 51600 18.0856 65.7425 -58.1304 111.867 184.002 -210.328 -48.7292 -51.7191 -63.3168 PRESSAVG: 51600 -23.9071 -10.2398 -40.1597 -10.2397 48.6853 1.40474 -40.1598 1.40468 -8.23147 GPRESSAVG: 51600 -24.0147 -13.199 -39.5428 -9.60912 48.8065 -0.245238 -40.6539 1.78329 -8.35086 TIMING: 51600 CPU: 152.622, 0.00293694/step Wall: 152.622, 0.00293694/step, 4.03699 hours remaining, 198.199219 MB of memory in use. ENERGY: 51600 691.2430 2039.4242 1958.2724 124.0252 -206301.2324 17788.6963 0.0000 0.0000 34237.1074 -149462.4639 299.0012 -183699.5713 -149362.6920 299.0883 14.7795 46.2569 556493.0559 5.5156 5.4803 PRESSURE: 51800 46.9337 79.0809 -46.3278 79.0815 -51.0474 -109.191 -46.3287 -109.19 -48.757 GPRESSURE: 51800 47.5167 103.649 -25.3581 26.1259 -6.97566 -136.932 0.0209223 -167.762 -6.48172 PRESSAVG: 51800 42.5859 66.4321 -21.8669 66.4321 23.274 -33.7355 -21.8669 -33.7356 -25.1914 GPRESSAVG: 51800 42.9725 68.0823 -21.7909 67.4359 24.0614 -31.9676 -21.2716 -35.4093 -26.5092 TIMING: 51800 CPU: 153.217, 0.00297437/step Wall: 153.217, 0.00297437/step, 4.08827 hours remaining, 198.199219 MB of memory in use. ENERGY: 51800 754.3530 2100.3987 1962.7684 118.9698 -206806.6023 17977.8800 0.0000 0.0000 34361.8796 -149530.3527 300.0908 -183892.2323 -149437.7698 298.8909 -17.6236 11.3531 555783.4300 13.5562 13.5082 PRESSURE: 52000 -232.59 -113.566 -39.5461 -113.567 -64.0613 232.367 -39.5465 232.369 7.18682 GPRESSURE: 52000 -158.6 -119.128 -28.7765 -141.03 -37.0987 173.067 -69.8982 218.839 7.98233 PRESSAVG: 52000 63.7925 -5.30116 -39.7814 -5.3012 -27.505 49.0706 -39.7815 49.0705 -58.8445 GPRESSAVG: 52000 62.3729 -5.82385 -40.4319 -5.85171 -27.3616 46.7864 -38.2668 51.4261 -57.7958 TIMING: 52000 CPU: 153.813, 0.00298005/step Wall: 153.813, 0.00298005/step, 4.09591 hours remaining, 198.199219 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: 52000 742.7666 2078.5710 1924.6658 120.1715 -206430.6611 17718.0427 0.0000 0.0000 34207.6560 -149638.7875 298.7440 -183846.4435 -149534.1579 298.6573 -96.4882 -62.5721 555894.7470 -7.5190 -7.5948 PRESSURE: 52200 88.8332 -155.854 -42.2144 -155.854 -173.943 -57.0326 -42.2142 -57.0304 -260.703 GPRESSURE: 52200 99.0393 -223.959 -62.3014 -104.928 -103.768 -40.1222 -2.11141 -35.5143 -245.463 PRESSAVG: 52200 -7.47439 -37.0031 -31.219 -37.003 88.4492 33.9574 -31.2191 33.9576 -59.7052 GPRESSAVG: 52200 -7.90033 -36.3565 -31.1904 -38.4553 88.7431 35.1267 -33.6794 31.8296 -58.8345 TIMING: 52200 CPU: 154.408, 0.00297575/step Wall: 154.408, 0.00297575/step, 4.08984 hours remaining, 198.199219 MB of memory in use. ENERGY: 52200 732.3675 2054.6148 1937.6407 112.1807 -206254.7867 17798.5232 0.0000 0.0000 33934.5985 -149684.8613 296.3593 -183619.4598 -149591.0686 297.5981 -115.2709 -83.3972 556482.2997 7.0899 7.3361 LDB: ============= START OF LOAD BALANCING ============== 157.834 LDB: ============== END OF LOAD BALANCING =============== 157.834 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 157.836 LDB: ============= START OF LOAD BALANCING ============== 158.132 LDB: Largest compute 4848 load 0.026347 is 22.4% of average load 0.117682 LDB: Average compute 0.001725 is 1.5% of average load 0.117682 LDB: TIME 158.135 LOAD: AVG 0.117682 MAX 0.197669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.969 MB LDB: TIME 158.135 LOAD: AVG 0.117682 MAX 0.197669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.172 MB LDB: TIME 158.135 LOAD: AVG 0.117682 MAX 0.197669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.172 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 158.137 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 158.141 PRESSURE: 52400 -213.148 76.5119 80.978 76.512 -149.953 67.6142 80.9791 67.6144 -341.513 GPRESSURE: 52400 -149.24 88.0248 106.102 -0.900015 -151.985 -16.0051 144.419 78.4468 -312.611 PRESSAVG: 52400 -3.57912 1.78496 -11.856 1.78499 43.929 -5.68518 -11.8561 -5.68509 -1.40536 GPRESSAVG: 52400 -2.2424 1.54923 -11.6627 3.64809 43.1516 -6.41037 -10.8906 -5.71033 -1.87389 TIMING: 52400 CPU: 155.012, 0.00301736/step Wall: 155.012, 0.00301736/step, 4.14686 hours remaining, 198.968750 MB of memory in use. ENERGY: 52400 764.7662 2160.0583 1912.5533 108.7282 -206053.2127 17436.2138 0.0000 0.0000 34103.7434 -149567.1496 297.8365 -183670.8930 -149465.9159 298.0549 -234.8715 -204.6120 557214.5315 12.9815 13.0118 PRESSURE: 52600 192.183 39.5884 28.0244 39.5891 6.4598 -32.0877 28.0247 -32.089 -35.94 GPRESSURE: 52600 200.841 -57.6979 52.0433 91.019 24.3579 9.58898 45.6609 -65.4539 35.4861 PRESSAVG: 52600 -37.0291 -20.3824 38.1632 -20.3824 25.0611 -1.43652 38.1632 -1.43659 -37.4528 GPRESSAVG: 52600 -38.3666 -22.7953 37.1464 -20.4287 26.1956 -1.47281 39.0215 -0.395688 -37.8031 TIMING: 52600 CPU: 155.601, 0.00294561/step Wall: 155.601, 0.00294561/step, 4.04808 hours remaining, 199.167969 MB of memory in use. ENERGY: 52600 760.1127 2106.2561 1959.6304 100.6094 -206455.6611 17846.1851 0.0000 0.0000 34206.1552 -149476.7122 298.7309 -183682.8674 -149380.1714 298.8248 54.2341 86.8949 555924.9062 -16.4736 -16.6580 PRESSURE: 52800 -115.189 -5.09904 212.234 -5.09907 210.046 185.604 212.233 185.606 -123.556 GPRESSURE: 52800 -75.9593 -27.75 129.724 -99.2971 223.358 185.567 223.511 127.712 -71.7038 PRESSAVG: 52800 12.2179 26.5465 44.5266 26.5465 14.33 12.3119 44.5266 12.3118 -11.825 GPRESSAVG: 52800 14.1232 30.4649 44.7575 26.6975 12.3852 14.5382 44.3188 10.7862 -11.7334 TIMING: 52800 CPU: 156.187, 0.00293114/step Wall: 156.187, 0.00293114/step, 4.02803 hours remaining, 199.167969 MB of memory in use. ENERGY: 52800 768.0289 2083.5340 1948.6213 109.3784 -206434.8707 17858.9046 0.0000 0.0000 34394.7227 -149271.6808 300.3777 -183666.4035 -149170.4129 299.0567 -9.5664 25.2317 555964.9915 4.9076 4.9250 PRESSURE: 53000 175.867 51.8294 3.13857 51.8277 -2.24185 26.1858 3.13814 26.1864 128.368 GPRESSURE: 53000 238.855 97.472 -9.13537 89.4236 -22.1903 49.1305 27.6138 -60.5686 181.584 PRESSAVG: 53000 -19.7338 1.66724 18.368 1.66731 -23.4113 9.7471 18.368 9.74702 30.1255 GPRESSAVG: 53000 -21.3127 2.27507 18.2917 -0.231243 -22.5814 7.18912 17.2077 11.0133 31.4251 TIMING: 53000 CPU: 156.777, 0.0029515/step Wall: 156.777, 0.0029515/step, 4.05585 hours remaining, 199.167969 MB of memory in use. ENERGY: 53000 723.8724 2143.3825 1967.6730 103.4954 -206508.4341 17898.2852 0.0000 0.0000 34353.8459 -149317.8797 300.0207 -183671.7256 -149231.3357 298.9103 100.6644 132.7495 555985.9851 -4.3399 -4.1563 PRESSURE: 53200 -168.564 27.6708 30.9892 27.6719 211.708 186.002 30.9879 186.002 -120.292 GPRESSURE: 53200 -113.899 61.2455 118.639 60.857 256.549 152.981 22.2005 151.319 -132.643 PRESSAVG: 53200 7.03941 47.9894 16.0126 47.9895 33.684 67.926 16.0126 67.9259 -19.5829 GPRESSAVG: 53200 7.63176 44.9896 16.9324 50.1087 33.3786 67.8622 16.1181 68.1369 -19.8163 TIMING: 53200 CPU: 157.367, 0.00294658/step Wall: 157.367, 0.00294658/step, 4.04893 hours remaining, 199.167969 MB of memory in use. ENERGY: 53200 714.6466 2143.9625 1971.0194 107.8758 -206160.2700 17745.2313 0.0000 0.0000 34076.7666 -149400.7679 297.6009 -183477.5345 -149296.3873 299.0467 -25.7157 3.3353 558673.3156 7.0468 7.0647 PRESSURE: 53400 -173.473 -79.8896 -68.7834 -79.8898 -185.381 7.79494 -68.7838 7.79527 -257.721 GPRESSURE: 53400 -123.807 -84.6428 -75.7664 -83.8295 -143.272 13.665 -106.451 -7.56185 -249.836 PRESSAVG: 53400 -22.7184 13.4418 -21.4037 13.4417 119.883 3.7061 -21.4037 3.70623 -80.4677 GPRESSAVG: 53400 -21.6791 15.5767 -22.7827 11.7783 119.393 4.01318 -20.2353 3.91989 -80.6799 TIMING: 53400 CPU: 157.96, 0.00296948/step Wall: 157.96, 0.00296948/step, 4.08023 hours remaining, 199.167969 MB of memory in use. ENERGY: 53400 764.5897 2062.7249 1953.1069 108.2251 -206015.8338 17611.4079 0.0000 0.0000 34202.7614 -149313.0179 298.7012 -183515.7793 -149209.7839 298.7568 -205.5250 -172.3048 558152.8480 5.5658 5.6780 PRESSURE: 53600 -292.386 -122.39 27.6823 -122.39 -133.347 75.1493 27.682 75.1498 -301.481 GPRESSURE: 53600 -269.253 -135.391 -4.49219 -158.638 -30.721 53.9547 69.0924 72.7386 -336.159 PRESSAVG: 53600 27.6968 28.1966 -6.48786 28.1966 4.4367 -5.59157 -6.48779 -5.59153 -11.1718 GPRESSAVG: 53600 27.7614 25.8364 -5.21809 29.635 4.97419 -6.26001 -7.40114 -5.51287 -11.9501 TIMING: 53600 CPU: 158.552, 0.002956/step Wall: 158.552, 0.002956/step, 4.06155 hours remaining, 199.167969 MB of memory in use. ENERGY: 53600 758.1347 2107.4391 1964.5086 108.3975 -206206.1746 17607.5265 0.0000 0.0000 34606.8096 -149053.3586 302.2299 -183660.1682 -148962.8187 298.6625 -242.4046 -212.0446 559474.2809 6.9872 6.9285 PRESSURE: 53800 -107.741 -66.8809 65.4153 -66.8808 46.1858 129.173 65.4151 129.172 -227.416 GPRESSURE: 53800 -110.599 -99.8403 113.859 -66.6852 73.3828 150.487 -65.396 108.428 -154.688 PRESSAVG: 53800 18.7274 -36.2952 -37.0725 -36.2951 13.001 28.9562 -37.0724 28.9562 5.58252 GPRESSAVG: 53800 18.7031 -35.2197 -37.1901 -37.6377 12.5084 32.1506 -37.1311 29.7452 5.78917 TIMING: 53800 CPU: 159.143, 0.00295519/step Wall: 159.143, 0.00295519/step, 4.06026 hours remaining, 199.167969 MB of memory in use. ENERGY: 53800 763.8293 2129.7805 1975.3226 128.1081 -206209.9248 17836.5484 0.0000 0.0000 34349.7065 -149026.6294 299.9845 -183376.3359 -148930.0328 300.4869 -96.3238 -63.9681 558046.7706 12.4370 12.3336 PRESSURE: 54000 145.721 81.8595 -100.027 81.8594 69.9344 -125.757 -100.027 -125.757 474.553 GPRESSURE: 54000 180.401 135.768 -102.291 48.1163 130.805 -106.056 -84.5855 -60.3588 471.501 PRESSAVG: 54000 -17.38 44.345 21.0433 44.345 -51.2355 14.4983 21.0433 14.4982 48.1217 GPRESSAVG: 54000 -18.3554 45.6491 23.6011 43.4722 -50.0009 12.1042 20.7107 13.3043 48.332 TIMING: 54000 CPU: 159.731, 0.00293928/step Wall: 159.731, 0.00293928/step, 4.03824 hours remaining, 199.167969 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: 54000 772.2932 2081.3968 1967.5271 113.6270 -205988.7126 17892.1750 0.0000 0.0000 34341.2214 -148820.4720 299.9104 -183161.6934 -148726.8673 300.2342 230.0697 260.9022 556791.2680 -6.8313 -6.6748 PRESSURE: 54200 -123.925 -42.4977 62.3279 -42.4969 -51.1429 120.653 62.3281 120.652 8.68568 GPRESSURE: 54200 -74.7192 -39.9342 -27.8069 -62.8004 -19.3984 54.849 104.275 21.1903 25.2326 PRESSAVG: 54200 30.7572 51.2438 -39.0069 51.2437 -104.146 10.9175 -39.0069 10.9175 100.333 GPRESSAVG: 54200 31.0418 49.7353 -40.631 53.4583 -104.554 12.6316 -37.3114 11.5733 100.52 TIMING: 54200 CPU: 160.313, 0.00291425/step Wall: 160.313, 0.00291425/step, 4.0037 hours remaining, 199.167969 MB of memory in use. ENERGY: 54200 771.3512 2106.3997 1971.6845 120.4293 -206158.0869 17820.6728 0.0000 0.0000 34453.7636 -148913.7859 300.8933 -183367.5495 -148819.4214 300.3447 -55.4606 -22.9617 557340.5692 8.9816 9.0026 PRESSURE: 54400 188.366 -119.395 -113.399 -119.395 2.98605 86.6832 -113.399 86.6836 -354.331 GPRESSURE: 54400 172.708 -73.3864 -158.054 -144.202 6.76018 -3.64085 -157.133 92.8288 -254.291 PRESSAVG: 54400 -25.373 45.6807 -41.4868 45.6807 -41.1202 18.5676 -41.4869 18.5675 56.6645 GPRESSAVG: 54400 -25.8262 46.3658 -41.4906 45.8981 -40.3298 16.6919 -42.8026 17.8038 56.0799 TIMING: 54400 CPU: 160.9, 0.00293338/step Wall: 160.9, 0.00293338/step, 4.02981 hours remaining, 199.167969 MB of memory in use. ENERGY: 54400 761.3696 2097.3484 2001.4667 106.7844 -206140.6141 17785.0899 0.0000 0.0000 34381.1071 -149007.4481 300.2588 -183388.5552 -148910.2553 299.9015 -54.3264 -24.9407 557381.9703 -3.2762 -3.3587 PRESSURE: 54600 -256.908 -43.4361 -33.3948 -43.4369 20.8964 -91.2022 -33.3951 -91.2028 117.639 GPRESSURE: 54600 -270.749 -73.0247 -80.259 -96.749 86.773 -96.546 -46.7008 -135.737 162.453 PRESSAVG: 54600 21.5177 -15.325 11.1469 -15.3249 11.399 -64.454 11.1469 -64.4539 -23.5828 GPRESSAVG: 54600 21.8787 -16.9724 11.0326 -14.3501 10.5597 -64.4404 10.2157 -63.754 -23.4136 TIMING: 54600 CPU: 161.489, 0.00294633/step Wall: 161.489, 0.00294633/step, 4.04744 hours remaining, 199.167969 MB of memory in use. ENERGY: 54600 766.9311 2142.1316 1944.1930 110.5591 -205735.5531 17607.0011 0.0000 0.0000 34305.3229 -148859.4143 299.5969 -183164.7371 -148760.6105 299.8107 -39.4575 -7.1743 557165.8637 3.1113 3.0083 PRESSURE: 54800 -35.3945 -64.8254 -47.3673 -64.8247 -229.058 -179.335 -47.3664 -179.335 -259.096 GPRESSURE: 54800 5.24343 -24.2004 -6.96115 14.5564 -224.685 -199.067 -136.08 -71.6041 -211.557 PRESSAVG: 54800 11.0822 -26.1518 -67.0098 -26.1518 0.0952387 -74.9425 -67.0098 -74.9425 7.59671 GPRESSAVG: 54800 10.6158 -25.0587 -67.189 -28.2574 -0.311241 -74.6646 -66.4184 -74.9829 8.04002 TIMING: 54800 CPU: 162.077, 0.00293759/step Wall: 162.077, 0.00293759/step, 4.03527 hours remaining, 199.167969 MB of memory in use. ENERGY: 54800 765.5081 2145.9650 1946.8234 104.2800 -205967.7863 17536.2939 0.0000 0.0000 34407.2249 -149061.6911 300.4869 -183468.9159 -148962.2202 300.0307 -174.5163 -143.6660 557961.3615 6.2581 6.1149 PRESSURE: 55000 -237.074 -200.688 -23.7912 -200.689 -447.842 -47.186 -23.7907 -47.1861 -251.796 GPRESSURE: 55000 -225.234 -98.6725 53.0301 -253.095 -395.015 -100.658 -57.4262 31.9593 -225.061 PRESSAVG: 55000 34.6858 42.8231 -54.1954 42.823 -57.7277 11.3042 -54.1954 11.3042 -0.547288 GPRESSAVG: 55000 33.5823 42.6652 -54.0179 40.8825 -56.1499 10.8849 -52.9375 12.0889 -1.39176 TIMING: 55000 CPU: 162.668, 0.00295337/step Wall: 162.668, 0.00295337/step, 4.05678 hours remaining, 199.167969 MB of memory in use. ENERGY: 55000 765.7161 2026.6559 1966.9368 119.9204 -205670.6189 17461.7552 0.0000 0.0000 34289.9879 -149039.6465 299.4630 -183329.6345 -148940.3651 299.8075 -312.2372 -281.7700 558155.7000 -7.8631 -7.9865 PRESSURE: 55200 -65.9443 126.691 -49.3578 126.691 -206.351 -178.098 -49.3572 -178.099 -9.90316 GPRESSURE: 55200 -18.4145 172.733 -47.0081 195.473 -186.903 -155.814 -66.3848 -142.364 14.0389 PRESSAVG: 55200 22.5015 -25.4023 -48.4859 -25.4023 -22.2306 20.8497 -48.486 20.8497 22.9909 GPRESSAVG: 55200 22.9386 -25.0338 -48.7116 -23.1329 -22.8914 18.9668 -50.4347 22.3465 23.0574 TIMING: 55200 CPU: 163.258, 0.00295099/step Wall: 163.258, 0.00295099/step, 4.05335 hours remaining, 199.167969 MB of memory in use. ENERGY: 55200 727.8157 2123.5096 1959.9869 122.9309 -205568.4822 17565.8381 0.0000 0.0000 34215.1998 -148853.2011 298.8098 -183068.4009 -148757.9196 299.8434 -94.0661 -63.7596 558617.8024 7.7539 7.7015 PRESSURE: 55400 -8.18408 119.672 -69.9343 119.672 34.6273 -97.9152 -69.9341 -97.9149 -456.999 GPRESSURE: 55400 29.3525 98.441 -32.6856 77.363 30.3171 -47.8584 -76.7842 -116.913 -390.657 PRESSAVG: 55400 -21.9117 30.7008 -39.4756 30.7009 35.8113 -54.1092 -39.4757 -54.1092 -31.2905 GPRESSAVG: 55400 -21.8007 30.3693 -37.5758 31.7963 34.6229 -52.3693 -40.0488 -56.241 -31.1099 TIMING: 55400 CPU: 163.848, 0.00294886/step Wall: 163.848, 0.00294886/step, 4.05026 hours remaining, 199.167969 MB of memory in use. ENERGY: 55400 774.1473 2048.2068 1960.2477 137.5436 -205795.7725 17562.1730 0.0000 0.0000 34491.0374 -148822.4167 301.2188 -183313.4541 -148724.9492 300.8629 -143.5184 -110.3291 558729.4831 -5.7970 -6.0959 PRESSURE: 55600 -131.195 126.174 181.17 126.173 172.991 162.59 181.171 162.59 -119.748 GPRESSURE: 55600 -35.0224 142.964 232.395 178.093 142.08 142.898 120.803 134.874 -89.3393 PRESSAVG: 55600 -23.9561 -25.1038 63.1113 -25.1038 42.1548 19.3066 63.1112 19.3066 -37.6948 GPRESSAVG: 55600 -23.8665 -24.5094 62.9215 -26.582 42.7293 19.1801 63.5409 20.4757 -38.834 TIMING: 55600 CPU: 164.433, 0.00292695/step Wall: 164.433, 0.00292695/step, 4.02 hours remaining, 199.167969 MB of memory in use. ENERGY: 55600 787.6425 2086.8941 1949.3986 111.3555 -205895.3548 17722.5401 0.0000 0.0000 34392.1966 -148845.3273 300.3556 -183237.5239 -148753.5082 300.0688 -25.9838 5.9062 558185.1232 -6.4987 -6.6571 PRESSURE: 55800 142.378 -127.559 150.578 -127.559 159.548 -242.917 150.578 -242.917 263.587 GPRESSURE: 55800 180.9 -91.5521 194.02 -60.7234 216.814 -300.284 179.468 -178.589 254.82 PRESSAVG: 55800 -7.84514 -15.8661 -29.2823 -15.8661 51.2533 -0.679408 -29.2823 -0.67937 -26.7496 GPRESSAVG: 55800 -8.8216 -16.2736 -30.2365 -14.9311 51.4703 -2.33004 -28.1624 -1.07689 -26.4212 TIMING: 55800 CPU: 165.018, 0.00292453/step Wall: 165.018, 0.00292453/step, 4.01651 hours remaining, 199.167969 MB of memory in use. ENERGY: 55800 789.8368 2068.1582 1952.0523 122.6180 -206459.4352 18331.7823 0.0000 0.0000 34199.0350 -148995.9525 298.6687 -183194.9875 -148905.1867 299.4371 188.5046 217.5111 557879.1569 5.5529 5.4092 PRESSURE: 56000 -261.064 28.3918 63.0856 28.393 -216.921 -19.4698 63.086 -19.4712 -305.944 GPRESSURE: 56000 -268.23 77.3029 123.848 7.48631 -182.862 1.62492 -12.8175 1.66335 -236.396 PRESSAVG: 56000 -18.2522 19.9102 17.5884 19.9102 -1.96784 -5.90834 17.5884 -5.90828 -12.1313 GPRESSAVG: 56000 -18.874 20.4544 17.1535 19.0465 -2.56938 -4.53544 18.3653 -7.76669 -11.2854 TIMING: 56000 CPU: 165.605, 0.00293375/step Wall: 165.605, 0.00293375/step, 4.02902 hours remaining, 199.167969 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: 56000 756.6482 2078.3392 1963.5095 116.6660 -205725.8670 17490.0079 0.0000 0.0000 34479.6218 -148841.0744 301.1191 -183320.6963 -148742.2275 300.3322 -261.3097 -229.1625 559303.1670 -10.7838 -10.9096 PRESSURE: 56200 -82.8497 171.521 -13.593 171.521 23.5548 107.439 -13.5935 107.437 205.914 GPRESSURE: 56200 -33.8179 166.976 -79.6115 191.492 81.6337 71.8492 90.6791 88.9901 198.79 PRESSAVG: 56200 23.1491 30.3678 -40.6729 30.3678 -29.9046 18.3817 -40.6728 18.3816 -16.1735 GPRESSAVG: 56200 23.6104 29.5161 -40.5377 30.5726 -29.5455 16.8364 -43.4786 19.7875 -16.9131 TIMING: 56200 CPU: 166.191, 0.00293232/step Wall: 166.191, 0.00293232/step, 4.02689 hours remaining, 199.167969 MB of memory in use. ENERGY: 56200 734.5928 2103.5472 1953.3316 113.9928 -206256.7108 17934.6896 0.0000 0.0000 34436.2198 -148980.3369 300.7401 -183416.5568 -148886.9455 300.1509 48.8729 82.2018 557654.8342 -7.6430 -7.6161 LDB: ============= START OF LOAD BALANCING ============== 169.617 LDB: ============== END OF LOAD BALANCING =============== 169.618 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 169.619 LDB: ============= START OF LOAD BALANCING ============== 169.916 LDB: Largest compute 4848 load 0.025649 is 21.8% of average load 0.117653 LDB: Average compute 0.001724 is 1.5% of average load 0.117653 LDB: TIME 169.918 LOAD: AVG 0.117653 MAX 0.197167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 197.488 MB LDB: TIME 169.918 LOAD: AVG 0.117653 MAX 0.197167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.488 MB LDB: TIME 169.918 LOAD: AVG 0.117653 MAX 0.197167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 197.488 MB LDB: ============== END OF LOAD BALANCING =============== 169.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 169.924 PRESSURE: 56400 -172.182 -31.4113 194.688 -31.4112 -287.666 2.79218 194.688 2.79345 -86.1039 GPRESSURE: 56400 -137.522 -6.13815 221.852 0.502538 -263.938 28.2257 203.586 26.5898 -51.0956 PRESSAVG: 56400 -13.49 -7.86361 35.2687 -7.86366 33.8372 45.2238 35.2688 45.2237 -8.03192 GPRESSAVG: 56400 -13.3042 -6.4315 35.7674 -6.81708 33.5745 47.616 35.1899 44.4174 -7.86193 TIMING: 56400 CPU: 166.795, 0.00301862/step Wall: 166.795, 0.00301862/step, 4.14523 hours remaining, 198.000000 MB of memory in use. ENERGY: 56400 737.7887 2046.9060 1953.0835 109.1737 -205638.6426 17490.3917 0.0000 0.0000 34246.6513 -149054.6477 299.0845 -183301.2990 -148955.1581 299.2967 -181.9842 -150.8517 558435.5664 4.1051 4.1361 PRESSURE: 56600 12.6822 -168.452 89.3769 -168.453 5.84139 38.313 89.3778 38.3137 -248.8 GPRESSURE: 56600 11.4242 -203.498 68.8414 -168.729 25.9677 122.528 79.5692 -2.73777 -169.9 PRESSAVG: 56600 20.3423 10.7417 40.4235 10.7417 -49.9839 67.1454 40.4235 67.1454 27.0049 GPRESSAVG: 56600 19.1216 9.91595 41.4849 9.21015 -48.4991 62.9802 38.9066 69.3157 27.0287 TIMING: 56600 CPU: 167.389, 0.00297011/step Wall: 167.389, 0.00297011/step, 4.07846 hours remaining, 198.000000 MB of memory in use. ENERGY: 56600 732.4809 2106.9174 1943.1931 126.3023 -205795.7946 17658.9899 0.0000 0.0000 34138.9342 -149088.9767 298.1438 -183227.9109 -148997.5648 298.7357 -76.7589 -44.1694 557961.7990 -0.8789 -0.7829 PRESSURE: 56800 159.964 -225.426 -151.666 -225.424 36.8464 51.2202 -151.667 51.2195 84.9267 GPRESSURE: 56800 180.724 -229.529 -211.72 -200.344 97.4471 -3.64497 -71.8122 48.0833 90.2724 PRESSAVG: 56800 58.4545 -33.4001 -2.53856 -33.4 -42.2206 52.3302 -2.53866 52.3301 31.1267 GPRESSAVG: 56800 59.1604 -34.9151 -4.37202 -32.1478 -42.8422 54.5728 -1.30862 50.4844 31.5316 TIMING: 56800 CPU: 167.98, 0.00295723/step Wall: 167.98, 0.00295723/step, 4.0606 hours remaining, 198.000000 MB of memory in use. ENERGY: 56800 716.4468 2104.5964 1977.5184 105.6308 -205937.8578 17632.8530 0.0000 0.0000 34451.2163 -148949.5960 300.8710 -183400.8123 -148854.3972 299.5097 93.9122 122.8143 557034.6604 15.7869 15.9499 PRESSURE: 57000 41.0217 159.298 36.1612 159.3 118.93 107.352 36.1628 107.354 -22.7443 GPRESSURE: 57000 34.3855 174.408 51.4908 159.338 163.26 80.7298 88.275 160.98 32.4623 PRESSAVG: 57000 36.8937 7.3556 -15.8038 7.35564 -24.9871 47.8219 -15.8038 47.8218 -19.3819 GPRESSAVG: 57000 36.705 8.86341 -14.1199 5.65747 -25.363 47.8751 -15.7605 49.8246 -18.8896 TIMING: 57000 CPU: 168.572, 0.00295854/step Wall: 168.572, 0.00295854/step, 4.06224 hours remaining, 198.000000 MB of memory in use. ENERGY: 57000 760.0695 2067.2794 1964.8791 113.8623 -205800.4249 17697.1875 0.0000 0.0000 34125.8197 -149071.3274 298.0293 -183197.1471 -148975.6087 299.5878 45.7358 76.7028 558482.2231 -2.4918 -2.5159 PRESSURE: 57200 -377.756 233.271 -90.3603 233.271 -280.342 -56.4865 -90.3613 -56.4871 14.4258 GPRESSURE: 57200 -308.223 274.443 -112.75 152.803 -268.021 -13.8011 -38.189 -96.6933 28.6926 PRESSAVG: 57200 -23.3847 9.71639 -26.8464 9.71647 -48.0363 -52.7938 -26.8464 -52.7938 83.8265 GPRESSAVG: 57200 -22.0538 10.8728 -27.9831 10.084 -48.7197 -51.6382 -24.7966 -54.2573 82.8449 TIMING: 57200 CPU: 169.169, 0.00298459/step Wall: 169.169, 0.00298459/step, 4.09784 hours remaining, 198.000000 MB of memory in use. ENERGY: 57200 756.5721 2070.9820 1928.6283 111.5624 -205547.1388 17436.6256 0.0000 0.0000 34178.4522 -149064.3162 298.4889 -183242.7684 -148969.1386 299.2297 -214.5575 -182.5170 557797.0588 4.1352 4.0238 PRESSURE: 57400 70.2634 20.7047 -59.6097 20.705 282.031 119.482 -59.6086 119.482 -42.8791 GPRESSURE: 57400 70.5145 -19.0285 -151.28 -21.9989 286.482 60.9221 10.2801 170.937 44.5306 PRESSAVG: 57400 13.1094 35.0216 -21.3451 35.0218 11.0816 -46.1985 -21.3451 -46.1985 -1.678 GPRESSAVG: 57400 12.5209 32.9696 -20.5684 36.3882 11.1494 -48.0129 -21.154 -45.2217 -1.07546 TIMING: 57400 CPU: 169.762, 0.00296355/step Wall: 169.762, 0.00296355/step, 4.06878 hours remaining, 198.000000 MB of memory in use. ENERGY: 57400 740.1470 2056.4680 1961.5279 99.3470 -206118.9763 17726.7498 0.0000 0.0000 34494.1868 -149040.5498 301.2463 -183534.7366 -148947.3019 299.1228 103.1385 133.8423 556829.2798 7.5043 7.5316 PRESSURE: 57600 3.66764 145.177 64.2509 145.176 -96.0495 25.416 64.2526 25.416 85.0046 GPRESSURE: 57600 -5.02747 154.296 5.80822 146.34 -38.2041 72.1061 29.2989 -27.5134 133.235 PRESSAVG: 57600 -26.8346 18.1763 10.3678 18.1763 -26.5582 18.3287 10.3678 18.3286 33.7164 GPRESSAVG: 57600 -26.5655 17.3668 10.4834 16.2002 -26.2812 18.2416 8.35903 18.9825 33.0213 TIMING: 57600 CPU: 170.351, 0.00294661/step Wall: 170.351, 0.00294661/step, 4.04536 hours remaining, 198.000000 MB of memory in use. ENERGY: 57600 736.8628 2069.3698 1949.3128 127.3495 -205611.6989 17590.1907 0.0000 0.0000 34193.8524 -148944.7611 298.6234 -183138.6135 -148852.5736 299.6231 -2.4591 30.0013 557471.0527 -6.5588 -6.6084 PRESSURE: 57800 -5.58248 91.0451 29.1988 91.0447 -49.0041 133.415 29.1989 133.414 16.7919 GPRESSURE: 57800 -1.21157 104.221 56.0073 47.7467 1.61823 236.508 73.847 228.018 49.6091 PRESSAVG: 57800 -21.854 7.27748 -5.63911 7.27749 -2.91929 8.13607 -5.63915 8.13609 25.9423 GPRESSAVG: 57800 -22.1405 9.4334 -5.784 6.16666 -4.27524 10.9047 -6.87106 8.91705 27.3455 TIMING: 57800 CPU: 170.942, 0.00295384/step Wall: 170.942, 0.00295384/step, 4.05512 hours remaining, 198.000000 MB of memory in use. ENERGY: 57800 756.5209 2097.9283 1955.2845 109.7886 -206155.7708 17836.7162 0.0000 0.0000 34392.3035 -149007.2289 300.3565 -183399.5324 -148911.9254 299.3307 -12.5982 16.6719 557081.6777 0.3897 0.3099 PRESSURE: 58000 -5.06438 -80.8255 56.0769 -80.8264 -383.561 21.2264 56.0766 21.2257 -389.924 GPRESSURE: 58000 1.67515 -90.272 7.41851 -81.9194 -357.339 -12.0028 17.7181 29.03 -327.547 PRESSAVG: 58000 12.8483 -41.6606 38.6046 -41.6607 -5.85856 63.207 38.6044 63.2069 25.1819 GPRESSAVG: 58000 11.1235 -43.5118 38.8021 -39.457 -3.10942 61.4974 41.0292 61.8677 24.5516 TIMING: 58000 CPU: 171.534, 0.00296072/step Wall: 171.534, 0.00296072/step, 4.06441 hours remaining, 198.000000 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: 58000 719.7043 2101.2934 1994.6534 101.4182 -205483.6815 17334.5560 0.0000 0.0000 34141.9166 -149090.1398 298.1698 -183232.0563 -148995.6713 299.4231 -259.5165 -227.7370 559232.9572 10.7239 10.8552 PRESSURE: 58200 -29.6517 116.778 -35.2555 116.776 -104.449 -57.3423 -35.256 -57.3425 -53.6481 GPRESSURE: 58200 49.3704 113.569 32.9951 194.429 -98.1887 -10.2706 -82.2976 -63.9554 -63.1663 PRESSAVG: 58200 38.3289 -47.6524 -22.3901 -47.6524 -46.8951 12.9093 -22.3902 12.9094 -58.1534 GPRESSAVG: 58200 40.5823 -46.3829 -22.4521 -47.2251 -48.3408 12.3334 -23.8174 14.4162 -59.126 TIMING: 58200 CPU: 172.125, 0.00295743/step Wall: 172.125, 0.00295743/step, 4.05973 hours remaining, 198.000000 MB of memory in use. ENERGY: 58200 719.7268 2153.7171 1958.5205 109.9992 -205991.0498 17830.1565 0.0000 0.0000 34051.4294 -149167.5003 297.3796 -183218.9297 -149081.1577 298.3006 -62.5829 -37.3282 558986.4985 -22.2399 -22.2948 PRESSURE: 58400 149.001 -40.1765 -34.9663 -40.1774 350.829 -29.3552 -34.9656 -29.3518 155.855 GPRESSURE: 58400 169.17 -103.614 -40.8409 43.6678 369.762 -41.292 -60.0042 -89.1245 209.612 PRESSAVG: 58400 -65.2164 -26.0628 16.5629 -26.0628 36.7109 -8.24843 16.563 -8.2484 78.4261 GPRESSAVG: 58400 -66.6035 -25.3999 16.4124 -26.2517 37.4194 -8.94744 16.974 -10.6119 78.9182 TIMING: 58400 CPU: 172.72, 0.00297175/step Wall: 172.72, 0.00297175/step, 4.07923 hours remaining, 198.000000 MB of memory in use. ENERGY: 58400 714.8138 2060.3526 1953.4275 112.7095 -206459.5515 18157.6170 0.0000 0.0000 34302.8108 -149157.8203 299.5750 -183460.6312 -149066.8945 298.9410 218.5615 249.5146 557745.7266 16.6402 16.5780 PRESSURE: 58600 138.476 125.73 53.0608 125.731 81.469 46.7677 53.0603 46.7679 -24.8401 GPRESSURE: 58600 183.85 120.303 52.8323 153.526 93.1375 46.5612 108.991 83.2799 17.4997 PRESSAVG: 58600 27.0931 -32.7585 18.3126 -32.7585 -54.2532 19.6997 18.3125 19.6997 25.7083 GPRESSAVG: 58600 28.4292 -33.555 18.9237 -33.2075 -55.0465 20.775 19.7407 20.4615 25.0601 TIMING: 58600 CPU: 173.309, 0.00294515/step Wall: 173.309, 0.00294515/step, 4.04255 hours remaining, 198.000000 MB of memory in use. ENERGY: 58600 773.6569 2111.6268 1944.0330 103.7961 -205913.8166 17803.2609 0.0000 0.0000 34000.3707 -149177.0722 296.9337 -183177.4429 -149083.5451 299.0324 65.0350 98.1622 557597.7442 -0.4839 -0.5191 PRESSURE: 58800 -22.5322 -89.7611 -354.009 -89.7629 90.6276 -21.6595 -354.007 -21.6607 261.451 GPRESSURE: 58800 31.5782 -77.797 -240.354 -49.4706 121.196 31.5199 -306.607 6.92286 283.263 PRESSAVG: 58800 30.9643 -3.69363 -46.3228 -3.6936 27.2689 -11.4666 -46.3228 -11.4666 -52.484 GPRESSAVG: 58800 29.2359 -4.49582 -47.678 -2.25453 27.9436 -10.1138 -46.9295 -13.5116 -51.6762 TIMING: 58800 CPU: 173.898, 0.00294779/step Wall: 173.898, 0.00294779/step, 4.04601 hours remaining, 198.000000 MB of memory in use. ENERGY: 58800 737.8582 2105.4588 1942.2217 123.0639 -206405.9513 18073.2949 0.0000 0.0000 34057.0321 -149367.0218 297.4285 -183424.0538 -149273.3859 298.9590 109.8488 145.3458 557206.8065 1.9164 1.8344 PRESSURE: 59000 -161.262 -82.9941 107.915 -82.9936 107.2 -75.6511 107.914 -75.6495 -211.059 GPRESSURE: 59000 -99.2676 -98.9568 123.605 -32.5509 119.146 -31.9787 97.3319 -60.3717 -191.704 PRESSAVG: 59000 -34.2071 -43.5577 -68.7643 -43.5576 62.1424 -9.15104 -68.7643 -9.15104 -23.6341 GPRESSAVG: 59000 -33.6329 -43.7388 -69.1518 -44.4337 61.1217 -9.96807 -68.2216 -8.12713 -23.2299 TIMING: 59000 CPU: 174.491, 0.00296171/step Wall: 174.491, 0.00296171/step, 4.06494 hours remaining, 198.000000 MB of memory in use. ENERGY: 59000 768.9728 2059.9195 1933.0606 110.0630 -206297.7423 17864.7762 0.0000 0.0000 34294.9061 -149266.0441 299.5059 -183560.9502 -149170.8552 299.3811 -88.3735 -57.2753 557579.1719 1.4337 1.4196 PRESSURE: 59200 86.4296 -76.8838 69.0791 -76.8832 122.721 -47.201 69.0795 -47.2007 -60.5034 GPRESSURE: 59200 83.8876 -113.852 125.566 -102.433 177.453 -52.3224 53.9685 -77.8723 -11.0014 PRESSAVG: 59200 -0.762471 -62.8659 3.07976 -62.8659 41.1902 -35.0577 3.07974 -35.0578 -20.5308 GPRESSAVG: 59200 0.411233 -61.7239 5.28375 -64.2468 42.2304 -34.9875 3.75664 -35.2192 -22.6298 TIMING: 59200 CPU: 175.075, 0.00292184/step Wall: 175.075, 0.00292184/step, 4.01007 hours remaining, 198.000000 MB of memory in use. ENERGY: 59200 753.4960 2087.6299 1913.8418 107.4831 -206352.3616 17786.2777 0.0000 0.0000 34335.7804 -149367.8527 299.8629 -183703.6331 -149266.7388 299.2100 49.5492 83.4463 555735.9865 6.6323 6.6706 PRESSURE: 59400 145.021 82.9783 171.075 82.9765 79.0185 -112.922 171.074 -112.921 -121.315 GPRESSURE: 59400 197.119 129.864 219.938 21.6912 138.253 -97.2111 96.1753 -225.945 -134.105 PRESSAVG: 59400 59.0465 9.26079 22.4992 9.26078 46.8631 12.2915 22.4993 12.2915 -39.1493 GPRESSAVG: 59400 57.3819 7.9506 20.1869 11.3068 46.7424 10.7249 22.5418 14.2192 -37.7422 TIMING: 59400 CPU: 175.662, 0.00293437/step Wall: 175.662, 0.00293437/step, 4.0271 hours remaining, 198.000000 MB of memory in use. ENERGY: 59400 742.7106 2054.5491 1931.4594 109.1396 -206668.3477 18148.2939 0.0000 0.0000 34343.0089 -149339.1863 299.9260 -183682.1952 -149234.8347 299.0167 34.2413 67.0892 557780.1002 22.2534 22.1274 PRESSURE: 59600 -234.406 -44.7589 -42.8333 -44.7584 -179.577 19.3385 -42.8334 19.3398 -394.271 GPRESSURE: 59600 -215.651 -34.6298 -10.7262 6.30487 -151.267 -60.0519 12.2571 54.315 -342.888 PRESSAVG: 59600 -15.5703 -6.68204 9.90025 -6.68206 53.4312 -30.5379 9.90024 -30.538 -56.3128 GPRESSAVG: 59600 -16.4906 -6.23025 11.6102 -9.22611 53.2743 -30.9287 8.54797 -33.0782 -54.7021 TIMING: 59600 CPU: 176.248, 0.00293185/step Wall: 176.248, 0.00293185/step, 4.02348 hours remaining, 198.000000 MB of memory in use. ENERGY: 59600 734.2538 2102.4738 1929.8713 128.9366 -205945.4724 17483.6178 0.0000 0.0000 34345.0861 -149221.2331 299.9442 -183566.3191 -149131.7438 299.4442 -269.4179 -236.6019 559465.8323 -6.1506 -5.9728 PRESSURE: 59800 -147.719 -101.089 29.411 -101.09 -400.405 -81.8514 29.4101 -81.8508 -247.383 GPRESSURE: 59800 -129.617 -169.074 -56.6528 -115.091 -334.383 -12.4769 -10.3142 -178.02 -241.958 PRESSAVG: 59800 11.1359 -56.8399 -3.57413 -56.8399 18.8097 -15.106 -3.57426 -15.1059 -32.8049 GPRESSAVG: 59800 12.2424 -55.3136 -3.77212 -57.8757 19.3198 -12.9092 -5.04216 -14.346 -34.5776 TIMING: 59800 CPU: 176.841, 0.00296273/step Wall: 176.841, 0.00296273/step, 4.06568 hours remaining, 198.000000 MB of memory in use. ENERGY: 59800 742.2614 2120.1302 1940.8759 122.5904 -205813.9870 17283.4621 0.0000 0.0000 34458.3797 -149146.2872 300.9336 -183604.6669 -149041.6142 298.6356 -265.1689 -235.3195 557827.8654 -0.9531 -1.0051 PRESSURE: 60000 261.446 -34.5333 -17.8148 -34.5334 83.1987 -224.056 -17.8157 -224.056 152.264 GPRESSURE: 60000 234.217 -8.19579 0.535847 20.1792 170.169 -229.961 -45.2474 -220.454 209.546 PRESSAVG: 60000 50.6569 -74.3797 45.3526 -74.3798 11.0108 -50.9676 45.3526 -50.9677 -59.3347 GPRESSAVG: 60000 50.6849 -75.5346 44.2643 -71.622 10.5716 -52.4952 47.5389 -50.7548 -58.5913 TIMING: 60000 CPU: 177.431, 0.00295085/step Wall: 177.431, 0.00295085/step, 4.04923 hours remaining, 198.000000 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: 60000 748.3505 2085.5227 1958.0796 100.7364 -206487.0215 18137.6001 0.0000 0.0000 34178.6970 -149278.0352 298.4911 -183456.7322 -149188.7079 299.4330 165.6362 204.6443 557116.9095 0.7777 0.8884 PRESSURE: 60200 73.9736 -142.937 123.04 -142.936 85.5884 -73.0766 123.04 -73.0787 -101.277 GPRESSURE: 60200 56.5566 -216.049 135.41 -116.483 163.408 -96.0388 85.5216 22.0243 -78.6784 PRESSAVG: 60200 37.2937 -29.9542 50.2939 -29.9542 39.1794 -50.5467 50.294 -50.5467 -55.8885 GPRESSAVG: 60200 37.757 -28.0046 51.3423 -31.3726 38.6482 -52.2087 49.7003 -47.8057 -56.0613 TIMING: 60200 CPU: 178.028, 0.00298585/step Wall: 178.028, 0.00298585/step, 4.09709 hours remaining, 198.000000 MB of memory in use. ENERGY: 60200 738.8302 2071.0187 1927.1177 106.2726 -206130.7160 17981.3775 0.0000 0.0000 34191.4264 -149114.6730 298.6022 -183306.0994 -149025.8071 299.3949 19.4282 47.0954 558557.3712 6.8616 6.7813 LDB: ============= START OF LOAD BALANCING ============== 181.455 LDB: ============== END OF LOAD BALANCING =============== 181.455 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 181.457 LDB: ============= START OF LOAD BALANCING ============== 181.754 LDB: Largest compute 4848 load 0.025277 is 21.5% of average load 0.117682 LDB: Average compute 0.001724 is 1.5% of average load 0.117682 LDB: TIME 181.757 LOAD: AVG 0.117682 MAX 0.197239 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.551 MB LDB: TIME 181.757 LOAD: AVG 0.117682 MAX 0.197239 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.551 MB LDB: TIME 181.757 LOAD: AVG 0.117682 MAX 0.197239 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.551 MB LDB: ============== END OF LOAD BALANCING =============== 181.759 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 181.763 PRESSURE: 60400 -144.71 86.9021 11.2738 86.9007 -15.7729 -238.428 11.274 -238.431 20.3836 GPRESSURE: 60400 -124.082 -56.8703 21.1636 137.307 92.2826 -165.828 -14.5799 -141.629 -13.3223 PRESSAVG: 60400 8.31169 -24.4784 16.7074 -24.4784 49.8251 8.56585 16.7074 8.56591 -31.3335 GPRESSAVG: 60400 7.63963 -27.0643 15.2298 -23.1852 50.373 10.1897 16.4507 5.61502 -31.3057 TIMING: 60400 CPU: 178.633, 0.0030256/step Wall: 178.633, 0.0030256/step, 4.15146 hours remaining, 198.972656 MB of memory in use. ENERGY: 60400 731.4637 2021.5325 1932.2848 92.0991 -206215.3046 17768.1248 0.0000 0.0000 34445.0216 -149224.7780 300.8169 -183669.7997 -149129.2204 299.5439 -46.6998 -15.0407 557328.4253 8.9344 8.9023 PRESSURE: 60600 -12.24 139.836 -74.1475 139.835 162.085 51.6822 -74.1483 51.6817 -121.97 GPRESSURE: 60600 12.4922 142.498 -27.6478 111.406 232.798 11.9976 -48.4627 16.7072 -118.485 PRESSAVG: 60600 69.5147 -15.1222 5.53551 -15.1223 -35.4174 84.9317 5.53554 84.9318 -41.1973 GPRESSAVG: 60600 69.7494 -12.3437 7.8259 -15.4931 -36.034 85.8203 5.13151 83.7269 -40.6557 TIMING: 60600 CPU: 179.226, 0.00296598/step Wall: 179.226, 0.00296598/step, 4.06949 hours remaining, 199.171875 MB of memory in use. ENERGY: 60600 715.2425 2020.0103 1913.8749 106.4815 -205889.4009 17622.9863 0.0000 0.0000 34255.9710 -149254.8344 299.1659 -183510.8054 -149160.2810 299.4600 9.2916 42.2684 556729.6608 -2.3666 -2.3134 PRESSURE: 60800 -277.672 78.7396 -26.6901 78.7404 -102.406 24.9419 -26.6886 24.9423 -182.977 GPRESSURE: 60800 -290.778 59.122 -68.4605 83.8166 -33.7964 22.4466 -17.7394 15.2113 -142.223 PRESSAVG: 60800 -36.1235 -11.359 11.1667 -11.359 3.76536 6.76159 11.1667 6.76165 41.4118 GPRESSAVG: 60800 -35.9401 -11.2446 9.90297 -12.4008 5.82546 6.92933 11.9447 6.95364 39.2815 TIMING: 60800 CPU: 179.824, 0.0029863/step Wall: 179.824, 0.0029863/step, 4.09721 hours remaining, 199.171875 MB of memory in use. ENERGY: 60800 714.5649 2062.2808 1946.0862 110.0992 -205384.4188 17142.7534 0.0000 0.0000 34255.9287 -149152.7056 299.1655 -183408.6343 -149052.3927 299.1433 -187.6850 -155.5991 557010.3755 3.0179 3.0556 PRESSURE: 61000 -130.877 21.7538 -133.84 21.7541 -92.794 133.728 -133.839 133.727 -0.843533 GPRESSURE: 61000 -56.4285 -4.83337 -188.513 10.6456 -93.1825 92.166 -100.542 162.666 8.55938 PRESSAVG: 61000 5.60936 -12.1698 -37.2869 -12.1698 53.2301 -14.0865 -37.2869 -14.0865 -15.6721 GPRESSAVG: 61000 6.55114 -14.4835 -35.786 -11.8024 50.4649 -15.1137 -37.8245 -13.7837 -14.1264 TIMING: 61000 CPU: 180.414, 0.00295081/step Wall: 180.414, 0.00295081/step, 4.04835 hours remaining, 199.171875 MB of memory in use. ENERGY: 61000 750.5335 2015.9378 1951.2168 115.8560 -205770.6068 17716.8603 0.0000 0.0000 34245.3685 -148974.8339 299.0733 -183220.2024 -148885.1758 299.2412 -74.8381 -47.0172 559318.6305 14.3891 14.2965 PRESSURE: 61200 18.945 -226.199 109.825 -226.198 -95.2329 35.6567 109.824 35.6565 -33.8669 GPRESSURE: 61200 65.0522 -202.891 42.8839 -247.106 -96.6309 23.5599 182.88 45.7861 27.371 PRESSAVG: 61200 22.4689 15.4521 2.87016 15.4521 6.54401 37.2732 2.87016 37.2733 -70.8019 GPRESSAVG: 61200 22.2321 16.214 2.47408 19.0422 7.24954 38.5846 2.33029 38.8544 -70.481 TIMING: 61200 CPU: 180.996, 0.00291331/step Wall: 180.996, 0.00291331/step, 3.99674 hours remaining, 199.171875 MB of memory in use. ENERGY: 61200 775.4209 1978.7015 1931.3846 110.9681 -205804.1428 17775.5652 0.0000 0.0000 34327.5656 -148904.5369 299.7912 -183232.1026 -148811.1225 300.2750 -36.7182 -1.4025 558983.0742 -13.9296 -13.6664 PRESSURE: 61400 -0.780101 56.9077 -94.9797 56.9089 146.362 -22.6066 -94.979 -22.6054 72.8243 GPRESSURE: 61400 -14.8384 66.9123 -131.003 119.632 150.06 -76.5055 -112.602 18.6601 177.876 PRESSAVG: 61400 -19.7462 22.8326 13.68 22.8327 -23.3107 48.7727 13.6799 48.7727 37.7834 GPRESSAVG: 61400 -20.6144 23.3588 12.9264 20.9003 -23.3821 47.5322 14.138 48.5874 38.6766 TIMING: 61400 CPU: 181.583, 0.00293453/step Wall: 181.583, 0.00293453/step, 4.02569 hours remaining, 199.171875 MB of memory in use. ENERGY: 61400 734.5304 2077.1990 1940.2611 106.4360 -205983.6954 17983.9558 0.0000 0.0000 34202.5590 -148938.7541 298.6995 -183141.3131 -148849.3253 298.9960 72.8020 104.3661 558574.8915 -1.7578 -1.7733 PRESSURE: 61600 -195.284 -14.6313 37.6398 -14.6318 -174.324 45.637 37.6398 45.6352 -37.0988 GPRESSURE: 61600 -129.157 10.2744 26.9923 -59.8415 -128.255 3.87163 86.571 72.0073 -45.4016 PRESSAVG: 61600 -48.1337 24.3025 5.2408 24.3024 11.266 49.9162 5.24076 49.9163 21.9604 GPRESSAVG: 61600 -48.6607 25.768 6.66276 22.3546 11.7906 51.682 4.49988 49.6156 21.577 TIMING: 61600 CPU: 182.174, 0.00295349/step Wall: 182.174, 0.00295349/step, 4.05154 hours remaining, 199.171875 MB of memory in use. ENERGY: 61600 725.4619 2028.5627 1939.9846 117.2946 -205732.9427 17506.8945 0.0000 0.0000 34304.0248 -149110.7196 299.5856 -183414.7444 -149012.3785 298.7771 -135.5691 -100.9378 558533.5952 -4.9691 -5.0977 PRESSURE: 61800 -195.532 -172.369 24.652 -172.368 237.381 36.6514 24.6523 36.6516 -25.5625 GPRESSURE: 61800 -148.16 -182.384 54.0955 -104.175 246.871 -21.8145 -30.4532 47.3353 14.8178 PRESSAVG: 61800 -61.6616 -37.3251 52.2362 -37.3251 6.45511 -15.3898 52.2362 -15.3899 58.3685 GPRESSAVG: 61800 -60.977 -39.7862 52.0724 -35.6617 7.22977 -15.9946 52.0432 -14.5626 56.7303 TIMING: 61800 CPU: 182.765, 0.00295377/step Wall: 182.765, 0.00295377/step, 4.05175 hours remaining, 199.171875 MB of memory in use. ENERGY: 61800 773.7258 2053.5827 1936.6926 109.6892 -206090.9850 17840.1964 0.0000 0.0000 34443.6468 -148933.4516 300.8049 -183377.0984 -148839.6889 299.5378 5.4287 37.8429 556620.6359 1.0540 0.9944 PRESSURE: 62000 -163.269 146.394 184.713 146.396 -128.602 -29.3007 184.712 -29.299 -141.879 GPRESSURE: 62000 -101.55 20.7845 226.303 202.049 -124.478 63.7486 159.758 -20.7502 -114.345 PRESSAVG: 62000 -45.4579 -12.2195 20.2274 -12.2196 -1.89883 -33.2363 20.2274 -33.2363 4.07869 GPRESSAVG: 62000 -46.4753 -11.9583 17.3561 -11.9905 -2.76437 -35.1799 21.0256 -33.3863 5.29134 TIMING: 62000 CPU: 183.356, 0.00295755/step Wall: 183.356, 0.00295755/step, 4.05678 hours remaining, 199.171875 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: 62000 748.6694 2054.2176 1953.8007 110.2005 -205371.6317 17515.8410 0.0000 0.0000 34138.5251 -148850.3774 298.1402 -182988.9025 -148753.7516 300.1076 -144.5830 -113.4578 559741.6431 -14.4260 -14.6494 PRESSURE: 62200 47.2444 -85.6546 -71.3292 -85.6536 -17.8641 -15.3782 -71.3302 -15.38 43.7277 GPRESSURE: 62200 133.172 -2.4009 -123.383 -28.3952 -3.77965 2.254 -15.7716 4.22983 24.6266 PRESSAVG: 62200 10.2988 -22.5911 29.6981 -22.5911 -62.0323 23.7314 29.6981 23.7315 0.0975506 GPRESSAVG: 62200 10.6 -23.8623 29.4699 -22.1344 -62.3753 22.8522 30.5314 23.2962 -0.481523 TIMING: 62200 CPU: 183.952, 0.00297583/step Wall: 183.952, 0.00297583/step, 4.08169 hours remaining, 199.171875 MB of memory in use. ENERGY: 62200 718.9407 2089.6402 1937.2177 112.7451 -205973.3045 17946.0641 0.0000 0.0000 34322.2010 -148846.4957 299.7443 -183168.6967 -148760.9365 299.7858 24.3694 51.3396 558610.2541 -17.2120 -17.4189 PRESSURE: 62400 78.7078 130.992 -19.3525 130.992 -165.736 115.345 -19.3522 115.345 -122.039 GPRESSURE: 62400 68.8175 193.212 -3.62104 140.331 -110.625 29.8862 -41.0405 106.582 -57.1889 PRESSAVG: 62400 27.178 24.5594 65.7526 24.5594 -38.9885 4.25527 65.7526 4.25523 24.2948 GPRESSAVG: 62400 26.0806 25.7166 67.8137 25.1046 -38.5662 6.88652 62.6872 3.65821 25.4067 TIMING: 62400 CPU: 184.55, 0.00299268/step Wall: 184.55, 0.00299268/step, 4.10462 hours remaining, 199.441406 MB of memory in use. ENERGY: 62400 769.5978 2046.3903 1952.1443 102.9242 -205429.3243 17509.5391 0.0000 0.0000 34219.3574 -148829.3712 298.8462 -183048.7286 -148740.5670 300.1284 -69.6893 -32.9989 557690.5175 4.1614 4.3070 PRESSURE: 62600 188.596 19.0697 -115.996 19.0685 -9.11571 -77.7566 -115.997 -77.7594 42.4465 GPRESSURE: 62600 170.441 110.713 -88.9573 -5.14318 63.2578 4.4469 -60.8996 -112.652 87.6833 PRESSAVG: 62600 14.4716 13.9925 -11.6682 13.9925 10.7523 -36.4348 -11.6683 -36.4349 -39.9678 GPRESSAVG: 62600 14.9438 15.6857 -10.0363 10.1582 10.5444 -36.269 -11.0507 -38.1009 -40.4194 TIMING: 62600 CPU: 185.14, 0.00294936/step Wall: 185.14, 0.00294936/step, 4.04504 hours remaining, 199.441406 MB of memory in use. ENERGY: 62600 731.5248 2066.9906 1929.4602 96.8842 -205860.8623 17783.4280 0.0000 0.0000 34375.0103 -148877.5642 300.2055 -183252.5745 -148779.8657 299.6548 73.9758 107.1273 557996.5115 -4.9146 -4.9771 PRESSURE: 62800 -112.941 -46.4048 65.8508 -46.4047 155.641 -117.609 65.8509 -117.608 -224.629 GPRESSURE: 62800 -127.407 -5.36958 114.614 2.88411 231.459 -154.281 87.9882 -133.727 -198.196 PRESSAVG: 62800 -11.4053 -86.7037 9.13585 -86.7037 39.4125 -70.4056 9.13583 -70.4057 -29.1132 GPRESSAVG: 62800 -10.6538 -88.0457 7.88833 -85.3732 38.6972 -70.1827 9.65725 -68.8742 -28.6309 TIMING: 62800 CPU: 185.727, 0.00293753/step Wall: 185.727, 0.00293753/step, 4.02865 hours remaining, 199.441406 MB of memory in use. ENERGY: 62800 744.2761 2056.9990 1944.3068 103.1222 -205452.4230 17621.8789 0.0000 0.0000 34235.6840 -148746.1560 298.9887 -182981.8400 -148653.3726 300.3611 -60.6432 -31.3814 559663.2182 -0.3687 -0.1958 PRESSURE: 63000 23.3617 -46.2959 53.4968 -46.2961 -152.583 0.0982263 53.496 0.0979579 -86.2319 GPRESSURE: 63000 88.1038 -53.5297 76.4434 2.66302 -175.896 27.6772 64.9067 -15.7408 -33.6368 PRESSAVG: 63000 -74.8979 -38.1094 45.448 -38.1093 92.239 -25.6554 45.4479 -25.6554 -11.8113 GPRESSAVG: 63000 -74.6263 -36.6567 46.5399 -37.2823 92.4595 -26.3889 43.9085 -25.6639 -12.2881 TIMING: 63000 CPU: 186.318, 0.00295188/step Wall: 186.318, 0.00295188/step, 4.04818 hours remaining, 199.441406 MB of memory in use. ENERGY: 63000 715.1635 2107.6404 1974.4495 103.5491 -205806.4125 17485.9555 0.0000 0.0000 34562.4331 -148857.2214 301.8423 -183419.6545 -148758.1461 300.8185 -71.8177 -40.4763 557799.8968 1.8433 1.8484 PRESSURE: 63200 293.759 -39.5148 57.7359 -39.5136 -135.946 -150.081 57.7365 -150.081 118.501 GPRESSURE: 63200 322.119 -52.0119 34.273 -88.7355 -111.612 -188.203 126.217 -97.5371 155.059 PRESSAVG: 63200 12.1848 -23.1473 12.0202 -23.1474 32.6432 -32.2965 12.0203 -32.2966 -9.3483 GPRESSAVG: 63200 11.643 -23.5954 10.7615 -23.3658 32.1752 -31.2211 13.0048 -33.0637 -8.50044 TIMING: 63200 CPU: 186.906, 0.00294227/step Wall: 186.906, 0.00294227/step, 4.03483 hours remaining, 199.441406 MB of memory in use. ENERGY: 63200 753.3392 2111.1205 1971.7458 123.5602 -206278.3191 18008.6831 0.0000 0.0000 34376.2775 -148933.5929 300.2166 -183309.8704 -148837.5127 299.8808 92.1047 121.8553 558968.1154 11.8266 11.7726 PRESSURE: 63400 -19.0635 -176.29 80.7019 -176.29 -47.5417 -5.50277 80.7016 -5.50284 141.634 GPRESSURE: 63400 -5.71871 -99.819 87.877 -221.703 -23.4512 -78.4053 75.1148 52.1075 199.473 PRESSAVG: 63400 -11.5721 -9.40693 39.5875 -9.40696 -36.2525 -23.4764 39.5875 -23.4764 25.6323 GPRESSAVG: 63400 -11.5535 -11.4591 38.3392 -7.80778 -35.0457 -25.7734 39.5299 -20.2991 24.2042 TIMING: 63400 CPU: 187.492, 0.0029288/step Wall: 187.492, 0.0029288/step, 4.01619 hours remaining, 199.441406 MB of memory in use. ENERGY: 63400 715.4723 2133.4559 1963.3593 104.7344 -206039.1865 17829.8891 0.0000 0.0000 34498.0026 -148794.2730 301.2796 -183292.2757 -148692.4914 300.0860 25.0097 56.7677 557001.4888 -7.3974 -7.4650 PRESSURE: 63600 -119.412 -22.1321 36.4488 -22.1312 -130.389 1.47966 36.4499 1.47835 68.6984 GPRESSURE: 63600 -92.8997 -9.36905 87.1405 32.9729 -117.256 88.044 38.6577 11.0867 108.121 PRESSAVG: 63600 39.1829 -26.3629 -27.4992 -26.3628 -63.5233 -27.0077 -27.4992 -27.0078 -15.5864 GPRESSAVG: 63600 39.109 -25.4826 -25.896 -27.024 -65.0079 -26.5447 -25.867 -28.2 -14.1739 TIMING: 63600 CPU: 188.078, 0.00292878/step Wall: 188.078, 0.00292878/step, 4.016 hours remaining, 199.441406 MB of memory in use. ENERGY: 63600 748.6512 2081.0932 1945.8998 115.3828 -205568.7807 17515.9611 0.0000 0.0000 34263.8897 -148897.9029 299.2351 -183161.7926 -148809.0010 300.4452 -60.3676 -34.0114 558618.2923 -13.3089 -13.3576 PRESSURE: 63800 1.21193 -69.9825 -162.919 -69.9822 -202.458 101.755 -162.918 101.755 109.852 GPRESSURE: 63800 32.9182 -116.429 -220.178 -104.914 -173.312 24.0084 -112.724 143.643 145.012 PRESSAVG: 63800 113.843 -24.4417 -26.7004 -24.4418 -143.629 -22.0781 -26.7003 -22.0781 -0.407038 GPRESSAVG: 63800 113.682 -24.0481 -26.9724 -24.7863 -143.641 -21.5936 -28.576 -22.0782 -0.0551379 TIMING: 63800 CPU: 188.664, 0.00292969/step Wall: 188.664, 0.00292969/step, 4.01709 hours remaining, 199.441406 MB of memory in use. ENERGY: 63800 767.9220 2085.4938 1956.8528 120.2785 -205945.4667 17997.3516 0.0000 0.0000 34217.2493 -148800.3187 298.8277 -183017.5680 -148707.0299 300.3441 -30.4646 1.5396 558323.5091 -10.0643 -10.0049 PRESSURE: 64000 -175.455 132.483 -85.1466 132.481 -350.26 102.111 -85.1468 102.112 147.456 GPRESSURE: 64000 -145.269 189.869 -67.4554 9.42052 -343.981 135.347 -168.66 105.872 210.471 PRESSAVG: 64000 42.4585 -34.593 13.1185 -34.593 -33.4966 -14.5736 13.1185 -14.5737 25.5543 GPRESSAVG: 64000 42.6417 -34.4473 12.8654 -35.2243 -33.6157 -15.712 12.5452 -15.7984 25.2131 TIMING: 64000 CPU: 189.252, 0.00294293/step Wall: 189.252, 0.00294293/step, 4.03509 hours remaining, 199.441406 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: 64000 727.6779 2157.7897 1937.7740 119.7555 -205360.6889 17311.9145 0.0000 0.0000 34289.1431 -148816.6341 299.4556 -183105.7772 -148716.4347 299.5596 -126.0861 -92.9266 558130.1064 11.5054 11.4130 PRESSURE: 64200 -77.4241 210.095 16.5105 210.095 -229.961 32.8553 16.5108 32.8563 4.80624 GPRESSURE: 64200 -6.19546 181.644 24.7844 243.5 -190.6 -15.2414 31.2412 76.0463 -14.2209 PRESSAVG: 64200 36.6481 57.0254 25.2669 57.0255 -4.21581 6.45642 25.267 6.45636 -42.5197 GPRESSAVG: 64200 36.9706 57.8899 25.8695 58.0602 -4.26017 7.33054 27.0403 6.84433 -42.8775 TIMING: 64200 CPU: 189.847, 0.00297187/step Wall: 189.847, 0.00297187/step, 4.0746 hours remaining, 199.441406 MB of memory in use. ENERGY: 64200 735.7559 2091.6461 1951.9490 112.6415 -205934.9747 17751.5220 0.0000 0.0000 34361.3097 -148930.1506 300.0859 -183291.4603 -148836.0003 300.3570 -100.8596 -70.3387 558216.5918 -3.3625 -3.3890 LDB: ============= START OF LOAD BALANCING ============== 193.272 LDB: ============== END OF LOAD BALANCING =============== 193.272 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 193.273 LDB: ============= START OF LOAD BALANCING ============== 193.57 LDB: Largest compute 4848 load 0.026369 is 22.4% of average load 0.117722 LDB: Average compute 0.001732 is 1.5% of average load 0.117722 LDB: TIME 193.572 LOAD: AVG 0.117722 MAX 0.19604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.02 MB LDB: TIME 193.572 LOAD: AVG 0.117722 MAX 0.19604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.078 MB LDB: TIME 193.573 LOAD: AVG 0.117722 MAX 0.19604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 193.574 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 193.578 PRESSURE: 64400 -12.8212 102.243 8.49254 102.243 -96.2527 16.2651 8.4941 16.2678 -61.0914 GPRESSURE: 64400 23.9547 101.944 25.5467 27.6484 -47.6351 100.008 25.6228 -70.8298 -53.1314 PRESSAVG: 64400 -11.9477 14.1527 -22.2382 14.1526 58.7905 -0.304461 -22.2382 -0.304473 -15.5496 GPRESSAVG: 64400 -11.5712 13.2042 -24.9405 12.0696 59.5571 1.96168 -22.2223 -2.797 -16.6501 TIMING: 64400 CPU: 190.449, 0.00301029/step Wall: 190.449, 0.00301029/step, 4.1271 hours remaining, 200.113281 MB of memory in use. ENERGY: 64400 711.4941 2099.5200 1970.8774 113.6423 -206144.4527 17912.6202 0.0000 0.0000 34293.2091 -149043.0895 299.4911 -183336.2986 -148940.6421 299.7713 -56.7218 -25.6040 558504.2291 10.4311 10.4452 PRESSURE: 64600 -141.799 210.393 -37.2374 210.393 -1.89578 72.4625 -37.2384 72.4624 128.088 GPRESSURE: 64600 -84.4629 191.636 11.4103 278.553 8.60683 14.324 -65.1674 59.9072 158.957 PRESSAVG: 64600 39.5577 42.774 -23.3218 42.7739 -10.2764 -37.1468 -23.3218 -37.1467 -3.8735 GPRESSAVG: 64600 39.1141 40.502 -20.8259 45.1737 -9.47264 -38.7776 -24.841 -34.6972 -3.3712 TIMING: 64600 CPU: 191.042, 0.0029669/step Wall: 191.042, 0.0029669/step, 4.06746 hours remaining, 200.113281 MB of memory in use. ENERGY: 64600 759.3775 2062.7934 1966.4715 103.2173 -205795.0230 17795.6647 0.0000 0.0000 34174.8170 -148932.6816 298.4572 -183107.4987 -148837.4419 299.8988 -5.2022 27.7003 557898.8801 8.4693 8.7567 PRESSURE: 64800 -292.228 -30.5907 -180.341 -30.592 -98.342 47.4118 -180.34 47.413 -179.495 GPRESSURE: 64800 -227.728 -53.3324 -136.654 -13.1738 -67.9849 30.4576 -152.344 127.718 -160.449 PRESSAVG: 64800 -37.1826 -4.94856 5.82147 -4.9486 44.2674 4.76777 5.8215 4.76782 42.5736 GPRESSAVG: 64800 -38.143 -1.95888 6.96032 -5.72941 44.2151 4.57392 5.67105 4.35325 43.5092 TIMING: 64800 CPU: 191.635, 0.00296591/step Wall: 191.635, 0.00296591/step, 4.06593 hours remaining, 200.128906 MB of memory in use. ENERGY: 64800 747.3705 2049.6207 1962.4234 102.0584 -205949.7519 17645.0917 0.0000 0.0000 34476.2406 -148966.9467 301.0896 -183443.1872 -148868.2116 299.8687 -190.0218 -152.0540 558709.6334 16.5528 16.5271 PRESSURE: 65000 34.03 79.2418 -95.0537 79.242 -67.5743 -197.151 -95.0546 -197.15 -169.203 GPRESSURE: 65000 81.7807 11.9813 -138.971 157.559 -44.7568 -180.185 -86.8279 -176.228 -139.014 PRESSAVG: 65000 -5.04052 24.5349 -10.0959 24.5349 31.1597 -18.0399 -10.0959 -18.04 -57.0579 GPRESSAVG: 65000 -3.71364 23.3244 -11.7341 25.2221 30.1043 -17.5603 -10.9441 -17.6935 -57.66 TIMING: 65000 CPU: 192.221, 0.00292818/step Wall: 192.221, 0.00292818/step, 4.01404 hours remaining, 200.128906 MB of memory in use. ENERGY: 65000 758.3429 2081.1548 1929.5605 112.8598 -205994.1762 17896.1886 0.0000 0.0000 34195.1506 -149020.9190 298.6348 -183216.0696 -148922.0921 300.2007 -67.5825 -33.9966 559240.8604 -10.3129 -10.4231 PRESSURE: 65200 -239.005 -46.715 -138.235 -46.7124 -6.07406 75.9746 -138.235 75.9748 68.7986 GPRESSURE: 65200 -188.523 -36.4126 -172.457 -57.4467 -28.1205 110.644 -172.707 6.44113 119.051 PRESSAVG: 65200 -61.6079 -12.8509 -12.5566 -12.8509 53.921 -22.8273 -12.5567 -22.8272 -11.6299 GPRESSAVG: 65200 -61.8818 -11.722 -14.2951 -13.5104 54.0157 -23.8478 -11.8377 -23.3598 -11.824 TIMING: 65200 CPU: 192.814, 0.00296399/step Wall: 192.814, 0.00296399/step, 4.06297 hours remaining, 200.128906 MB of memory in use. ENERGY: 65200 737.0910 2029.9015 1976.8331 111.9179 -206389.6106 17780.2924 0.0000 0.0000 34557.0683 -149196.5064 301.7955 -183753.5747 -149093.1524 299.9104 -58.7603 -32.5309 557488.4149 -6.4389 -6.5634 PRESSURE: 65400 -103.713 -87.6554 58.2437 -87.6563 -273.309 -84.7756 58.2454 -84.7744 53.5629 GPRESSURE: 65400 -92.9018 -193.244 18.9616 58.3834 -233.613 7.78492 -16.7423 -110.287 102.676 PRESSAVG: 65400 -47.9001 -64.8854 -63.933 -64.8854 -17.002 -3.09061 -63.933 -3.09067 55.913 GPRESSAVG: 65400 -47.1618 -65.3663 -60.489 -64.8954 -17.024 -5.65463 -66.0796 -2.24196 55.9107 TIMING: 65400 CPU: 193.406, 0.00296101/step Wall: 193.406, 0.00296101/step, 4.05872 hours remaining, 200.128906 MB of memory in use. ENERGY: 65400 732.4778 2065.4897 1940.4551 111.3412 -205591.4643 17438.6110 0.0000 0.0000 34232.9935 -149070.0958 298.9652 -183303.0894 -148970.9105 299.0830 -107.8197 -74.6129 558357.9640 -2.9963 -2.7583 PRESSURE: 65600 71.4273 126.642 -84.02 126.641 -172.084 -30.5467 -84.0194 -30.5464 -0.38117 GPRESSURE: 65600 106.253 176.01 38.1138 41.4432 -86.5534 -41.0636 -170.249 -43.8447 -24.7285 PRESSAVG: 65600 35.5968 -104.532 9.85532 -104.532 -70.1378 -34.8976 9.85537 -34.8977 84.5124 GPRESSAVG: 65600 35.0477 -104.129 9.0837 -105.848 -70.3838 -31.5391 10.9584 -38.0193 85.032 TIMING: 65600 CPU: 193.995, 0.00294352/step Wall: 193.995, 0.00294352/step, 4.03458 hours remaining, 200.128906 MB of memory in use. ENERGY: 65600 732.6047 2048.0117 1959.6438 104.9783 -205808.2284 17606.2889 0.0000 0.0000 34262.9279 -149093.7730 299.2267 -183356.7009 -148998.7175 299.5526 -33.6793 -1.6764 556367.6621 16.6571 16.5653 PRESSURE: 65800 -353.482 -2.1207 -131.07 -2.11948 -103.904 -137.877 -131.069 -137.877 -120.036 GPRESSURE: 65800 -271.263 41.0799 -115.575 -69.0406 -32.6597 -183.355 -149.036 -20.7986 -173.047 PRESSAVG: 65800 -50.3191 -23.5725 8.79797 -23.5725 20.4186 -28.4999 8.79792 -28.4998 34.9155 GPRESSAVG: 65800 -50.1021 -25.5566 6.2644 -22.3026 21.2217 -29.7894 11.4366 -25.7609 34.1115 TIMING: 65800 CPU: 194.578, 0.00291933/step Wall: 194.578, 0.00291933/step, 4.00127 hours remaining, 200.128906 MB of memory in use. ENERGY: 65800 748.8979 2151.8130 1903.3262 117.6685 -205987.4708 17554.1133 0.0000 0.0000 34404.7610 -149106.8910 300.4653 -183511.6520 -149010.8792 299.8113 -192.4737 -158.9898 558552.9642 1.6717 1.7437 PRESSURE: 66000 87.625 -18.5036 0.85613 -18.5028 252.213 -18.6488 0.855567 -18.6496 159.343 GPRESSURE: 66000 170.59 -27.656 125.005 -2.88551 249.938 -40.8524 -77.494 -16.9859 166.746 PRESSAVG: 66000 21.8529 -4.22181 -13.8733 -4.22181 36.3612 -21.5521 -13.8733 -21.5521 -55.995 GPRESSAVG: 66000 20.5048 -4.03346 -10.162 -4.14113 36.8388 -19.7408 -15.767 -23.926 -54.9488 TIMING: 66000 CPU: 195.164, 0.0029297/step Wall: 195.164, 0.0029297/step, 4.01532 hours remaining, 200.128906 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: 66000 720.4032 2108.9517 1964.3002 112.7729 -206518.1791 17983.2199 0.0000 0.0000 34656.7891 -148971.7422 302.6664 -183628.5313 -148877.2313 300.4983 166.3934 195.7581 555294.1220 0.7397 0.7983 PRESSURE: 66200 -118.056 -10.807 14.7662 -10.8076 52.3577 108.028 14.7658 108.03 4.26254 GPRESSURE: 66200 -129.06 13.2225 74.2301 2.01728 163.572 125.723 -81.2472 92.3157 8.23733 PRESSAVG: 66200 13.2909 -6.53185 1.4023 -6.53192 27.174 -5.20043 1.40235 -5.20039 -84.5233 GPRESSAVG: 66200 14.6047 -6.42666 0.0730875 -6.47399 27.4919 -5.94737 0.529301 -4.15041 -86.2866 TIMING: 66200 CPU: 195.754, 0.00294619/step Wall: 195.754, 0.00294619/step, 4.03775 hours remaining, 200.128906 MB of memory in use. ENERGY: 66200 768.8699 2075.6140 1969.3483 125.6111 -205436.6163 17593.0191 0.0000 0.0000 34218.4183 -148685.7357 298.8380 -182904.1540 -148592.6027 300.8194 -20.4786 14.2496 557623.5603 -14.6861 -14.7300 PRESSURE: 66400 -61.6785 143.634 -162.401 143.635 -155.579 -202.058 -162.403 -202.058 -23.6292 GPRESSURE: 66400 2.28125 129.537 -154.066 142.081 -109.065 -149.897 -216.914 -166.262 -40.9768 PRESSAVG: 66400 48.6631 13.1733 8.03354 13.1732 46.1645 -15.0723 8.03353 -15.0722 -35.359 GPRESSAVG: 66400 48.8299 13.7906 9.01524 14.5801 45.3584 -13.2372 8.04521 -14.5827 -34.5186 TIMING: 66400 CPU: 196.341, 0.00293629/step Wall: 196.341, 0.00293629/step, 4.02402 hours remaining, 200.128906 MB of memory in use. ENERGY: 66400 726.5047 2050.4412 1975.1613 108.6195 -205569.3798 17713.5895 0.0000 0.0000 34161.5072 -148833.5565 298.3409 -182995.0637 -148734.4026 300.6931 -80.2957 -49.2535 559202.0184 19.8229 19.8899 PRESSURE: 66600 138.195 -172.904 209.247 -172.904 -103.796 27.7438 209.247 27.7425 -248.849 GPRESSURE: 66600 112.73 -35.719 322.286 -262.997 -70.1778 25.5228 173.61 14.2837 -167.798 PRESSAVG: 66600 20.6242 6.0252 -43.6003 6.02518 23.5138 4.10726 -43.6004 4.10728 -28.0945 GPRESSAVG: 66600 21.0987 5.3375 -42.9708 7.72189 22.0705 2.71897 -42.8354 5.03919 -27.5561 TIMING: 66600 CPU: 196.929, 0.00294111/step Wall: 196.929, 0.00294111/step, 4.03047 hours remaining, 200.128906 MB of memory in use. ENERGY: 66600 749.8137 2110.0368 1950.1818 113.1893 -206177.9952 17738.4606 0.0000 0.0000 34463.0345 -149053.2785 300.9743 -183516.3131 -148960.6590 298.9637 -71.4833 -41.7486 558209.2742 5.3478 5.2044 PRESSURE: 66800 -137.126 151.983 -172.45 151.983 -30.29 -30.2101 -172.452 -30.2082 -9.21393 GPRESSURE: 66800 -83.7249 111.955 -170.418 161.791 0.719492 -24.7939 -97.2808 3.865 3.66774 PRESSAVG: 66800 -34.7162 3.59181 -16.1882 3.59184 -10.5872 -11.7891 -16.1882 -11.7889 -5.36731 GPRESSAVG: 66800 -35.733 2.46764 -14.3939 2.19381 -8.60253 -11.7427 -16.2217 -14.8922 -6.2938 TIMING: 66800 CPU: 197.514, 0.00292532/step Wall: 197.514, 0.00292532/step, 4.00866 hours remaining, 200.128906 MB of memory in use. ENERGY: 66800 724.7872 2089.9651 1975.6798 119.8689 -205955.7517 17861.4318 0.0000 0.0000 34105.1125 -149078.9065 297.8484 -183184.0189 -148989.7697 298.5457 -58.8767 -26.4459 560215.3607 -16.8902 -16.8764 PRESSURE: 67000 257.659 128.099 3.62949 128.1 352.738 -144.212 3.62983 -144.211 112.84 GPRESSURE: 67000 276.611 130.457 43.0311 83.4385 411.236 -170.859 34.5218 -103.207 131.67 PRESSAVG: 67000 10.9734 58.9778 28.0628 58.9778 34.114 17.0118 28.0628 17.0117 -1.36438 GPRESSAVG: 67000 11.8109 60.1256 24.3134 58.6329 32.6095 16.9764 29.434 19.4586 -0.0803226 TIMING: 67000 CPU: 198.098, 0.00292034/step Wall: 198.098, 0.00292034/step, 4.00168 hours remaining, 200.128906 MB of memory in use. ENERGY: 67000 692.8647 2084.3548 1937.0450 110.7187 -206347.0822 18152.1529 0.0000 0.0000 34504.2173 -148865.7289 301.3339 -183369.9461 -148760.0127 299.6887 241.0793 273.1727 557618.3988 14.5744 14.7800 PRESSURE: 67200 -24.9591 -2.01751 151.581 -2.01816 97.0145 -73.7081 151.582 -73.7071 -343.786 GPRESSURE: 67200 -31.011 -4.67171 273.189 -34.4372 128.049 -133.028 120.377 -62.8362 -279.658 PRESSAVG: 67200 8.90103 34.7406 13.1811 34.7407 18.5855 4.48686 13.181 4.48696 -50.5012 GPRESSAVG: 67200 9.13552 34.5643 14.089 33.5096 19.303 4.75479 12.6989 3.17421 -50.9246 TIMING: 67200 CPU: 198.686, 0.00293859/step Wall: 198.686, 0.00293859/step, 4.02652 hours remaining, 200.128906 MB of memory in use. ENERGY: 67200 751.3519 2112.7733 1957.0144 113.6399 -205894.8032 17678.2790 0.0000 0.0000 34378.5998 -148903.1449 300.2369 -183281.7447 -148808.7093 300.9380 -90.5770 -60.8735 558433.0681 -7.6715 -7.4954 PRESSURE: 67400 200.672 74.7358 -63.0232 74.7365 -161.518 -63.7593 -63.0236 -63.7592 -42.5695 GPRESSURE: 67400 231.063 73.4519 -28.5805 3.78087 -145.022 -34.019 -35.9736 -91.3693 18.0745 PRESSAVG: 67400 -24.5196 -11.5845 10.4107 -11.5846 -8.9958 19.861 10.4107 19.8609 -3.21022 GPRESSAVG: 67400 -26.1493 -10.6741 10.8165 -12.1161 -8.21009 18.3548 9.8784 20.994 -2.10597 TIMING: 67400 CPU: 199.27, 0.00292112/step Wall: 199.27, 0.00292112/step, 4.00242 hours remaining, 200.128906 MB of memory in use. ENERGY: 67400 748.3437 2096.2713 1938.8490 108.8648 -205923.3770 17775.4428 0.0000 0.0000 34486.7237 -148768.8819 301.1811 -183255.6055 -148674.9303 299.9719 -1.1385 34.7053 559026.3298 -12.2419 -12.1551 PRESSURE: 67600 16.332 88.294 62.0704 88.2936 73.138 246.398 62.07 246.4 -26.3482 GPRESSURE: 67600 57.7803 134.813 18.6926 -55.556 53.7867 212.501 84.9541 288.88 58.1814 PRESSAVG: 67600 -19.3596 20.6939 -19.8199 20.6939 -3.80777 -18.0905 -19.8199 -18.0905 10.1103 GPRESSAVG: 67600 -17.5798 19.6863 -19.2857 21.6817 -4.14224 -17.1005 -20.1933 -17.5544 8.78973 TIMING: 67600 CPU: 199.857, 0.00293594/step Wall: 199.857, 0.00293594/step, 4.02257 hours remaining, 200.128906 MB of memory in use. ENERGY: 67600 753.5160 2111.4281 1932.0584 125.2273 -205853.5024 17676.0561 0.0000 0.0000 34356.0536 -148899.1628 300.0400 -183255.2164 -148803.1828 300.0990 21.0406 56.5828 558457.9245 -4.3524 -4.3108 PRESSURE: 67800 121.379 -141.853 -132.364 -141.853 -74.9272 -80.7644 -132.365 -80.763 225.874 GPRESSURE: 67800 114.45 -91.4803 -139.405 -158.013 -27.7929 -139.896 -130.459 -84.7543 286.362 PRESSAVG: 67800 -46.8478 17.9341 39.6345 17.9341 -24.0271 2.28818 39.6345 2.28817 93.4631 GPRESSAVG: 67800 -47.7818 20.0344 37.6776 16.6216 -24.1494 4.62936 40.112 2.54323 93.8901 TIMING: 67800 CPU: 200.447, 0.00294652/step Wall: 200.447, 0.00294652/step, 4.0369 hours remaining, 200.128906 MB of memory in use. ENERGY: 67800 713.5953 2122.4131 1954.8412 116.9544 -206423.2708 18096.5497 0.0000 0.0000 34478.1036 -148940.8135 301.1059 -183418.9171 -148846.1531 300.4326 90.7753 124.3399 558536.9333 7.5294 7.3196 PRESSURE: 68000 213.989 -32.9831 34.459 -32.9809 154.795 1.38212 34.46 1.38168 -26.3187 GPRESSURE: 68000 221.803 -71.8244 -137.253 -21.1939 194.706 35.4051 32.845 -15.7719 9.06159 PRESSAVG: 68000 -21.936 -0.0368317 -14.1613 -0.0367891 59.559 -5.84606 -14.1612 -5.84592 8.42628 GPRESSAVG: 68000 -21.3918 -1.6286 -11.9267 2.07305 59.2094 -7.5212 -14.0702 -6.28162 7.53396 TIMING: 68000 CPU: 201.033, 0.00293336/step Wall: 201.033, 0.00293336/step, 4.0187 hours remaining, 200.128906 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: 68000 757.5151 2103.6387 1985.7244 137.0641 -206570.1627 18183.4700 0.0000 0.0000 34378.0796 -149024.6708 300.2323 -183402.7504 -148921.8701 300.0503 114.1552 141.8569 558295.4203 15.3498 15.1172 PRESSURE: 68200 -32.6206 22.954 -7.0207 22.9531 -61.6742 -136.192 -7.02131 -136.193 -128.724 GPRESSURE: 68200 12.641 40.1486 2.03012 117.362 -41.963 -40.6537 28.7526 -145.439 -110.673 PRESSAVG: 68200 33.0329 11.3046 -47.3221 11.3046 24.4476 -64.201 -47.3221 -64.201 -23.5553 GPRESSAVG: 68200 31.4145 12.2487 -48.4451 9.70304 24.7669 -60.8608 -46.8979 -68.6827 -22.6829 TIMING: 68200 CPU: 201.619, 0.00292635/step Wall: 201.619, 0.00292635/step, 4.00894 hours remaining, 200.128906 MB of memory in use. ENERGY: 68200 740.6828 2139.3769 1939.2425 120.2522 -206106.3200 17785.2636 0.0000 0.0000 34416.2704 -148965.2316 300.5658 -183381.5020 -148861.9338 299.9210 -74.3397 -46.6648 558671.6433 11.3084 11.1662 LDB: ============= START OF LOAD BALANCING ============== 205.04 LDB: ============== END OF LOAD BALANCING =============== 205.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 205.042 LDB: ============= START OF LOAD BALANCING ============== 205.336 LDB: Largest compute 4848 load 0.026143 is 22.2% of average load 0.117659 LDB: Average compute 0.001726 is 1.5% of average load 0.117659 LDB: TIME 205.338 LOAD: AVG 0.117659 MAX 0.195125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.188 MB LDB: TIME 205.339 LOAD: AVG 0.117659 MAX 0.195125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.188 MB LDB: TIME 205.339 LOAD: AVG 0.117659 MAX 0.195125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 205.341 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 205.345 PRESSURE: 68400 -55.0206 7.96885 171.67 7.96816 207.427 81.2012 171.669 81.2011 -309.703 GPRESSURE: 68400 -17.0204 -25.7901 194.586 5.73854 203.463 41.4204 122.057 42.5051 -238.207 PRESSAVG: 68400 -19.6337 31.2064 2.44268 31.2064 3.66309 -16.3779 2.44265 -16.378 -9.31881 GPRESSAVG: 68400 -18.8246 30.6056 0.2085 32.5528 2.88217 -20.3922 3.28211 -11.9681 -9.72149 TIMING: 68400 CPU: 202.215, 0.00298207/step Wall: 202.215, 0.00298207/step, 4.08511 hours remaining, 200.500000 MB of memory in use. ENERGY: 68400 719.6694 2063.5300 1960.8761 113.1368 -205795.6536 17630.0701 0.0000 0.0000 34284.3354 -149024.0360 299.4136 -183308.3714 -148929.2692 299.9646 -52.4321 -17.2549 557502.8113 -8.4298 -8.5547 PRESSURE: 68600 -232.323 -271.161 -8.80451 -271.161 -145.281 -153.433 -8.80439 -153.434 142.566 GPRESSURE: 68600 -180.774 -299.444 4.6116 -205.709 -142.685 -85.8829 -20.1506 -147.015 177.531 PRESSAVG: 68600 -30.3177 47.0365 45.5601 47.0366 56.6949 42.4943 45.5601 42.4943 27.8901 GPRESSAVG: 68600 -30.5452 46.7734 45.043 46.3602 57.2104 43.1639 45.8962 39.4475 27.9783 TIMING: 68600 CPU: 202.804, 0.00294598/step Wall: 202.804, 0.00294598/step, 4.0355 hours remaining, 200.699219 MB of memory in use. ENERGY: 68600 790.2728 2069.3388 1932.4303 112.0581 -206274.7027 17879.0540 0.0000 0.0000 34470.2769 -149021.2717 301.0375 -183491.5486 -148913.1187 300.0576 -78.3459 -48.6423 555955.7364 18.0891 18.2145 PRESSURE: 68800 144.295 -146.595 -87.5785 -146.595 64.8207 -33.4511 -87.5795 -33.4519 -20.4537 GPRESSURE: 68800 199.922 -244.352 -65.2001 -161.258 81.2583 23.064 -22.3276 -50.7921 -10.3472 PRESSAVG: 68800 -40.5696 -6.33735 -40.7183 -6.33736 -2.85297 -27.6334 -40.7183 -27.6332 39.9167 GPRESSAVG: 68800 -40.8158 -8.15167 -39.1556 -4.99186 -3.24223 -29.0925 -42.5263 -24.0545 40.7779 TIMING: 68800 CPU: 203.394, 0.0029487/step Wall: 203.394, 0.0029487/step, 4.03906 hours remaining, 200.699219 MB of memory in use. ENERGY: 68800 761.2185 2060.5480 1927.9950 118.4343 -206095.6739 18039.3813 0.0000 0.0000 34199.6307 -148988.4661 298.6739 -183188.0967 -148893.2762 300.0711 62.8874 90.2775 558196.0202 -1.1686 -1.0934 PRESSURE: 69000 -80.8497 54.6307 19.848 54.6297 -152.644 -102.33 19.8478 -102.328 -231.471 GPRESSURE: 69000 9.54105 22.0928 99.803 13.2733 -132.806 -87.0042 -31.3538 -82.2887 -249.71 PRESSAVG: 69000 63.9852 -15.1958 -57.7754 -15.1959 -55.5468 12.2018 -57.7754 12.2019 -10.7434 GPRESSAVG: 69000 64.6746 -16.399 -57.5153 -15.2098 -55.9695 12.9786 -57.5615 10.2708 -10.9868 TIMING: 69000 CPU: 203.984, 0.00295091/step Wall: 203.984, 0.0029509/step, 4.04192 hours remaining, 200.699219 MB of memory in use. ENERGY: 69000 749.2440 2084.6285 1970.6991 107.2668 -205868.7429 17604.2117 0.0000 0.0000 34353.2377 -148999.4553 300.0154 -183352.6930 -148902.7177 299.8173 -154.9884 -124.3251 559564.6680 -0.7683 -0.7606 PRESSURE: 69200 56.6731 -182.78 52.554 -182.779 -5.81693 -21.9561 52.5557 -21.9561 -169.421 GPRESSURE: 69200 54.2785 -144.007 181.439 -154.467 25.2657 38.9362 -83.5867 -87.1203 -104.567 PRESSAVG: 69200 -47.3541 -81.439 -40.6691 -81.439 -28.812 14.5198 -40.669 14.5197 46.0133 GPRESSAVG: 69200 -47.5929 -78.4477 -39.4239 -83.678 -27.9933 14.8445 -41.4509 12.9201 45.4303 TIMING: 69200 CPU: 204.575, 0.00295297/step Wall: 204.575, 0.00295297/step, 4.04458 hours remaining, 200.699219 MB of memory in use. ENERGY: 69200 754.6102 2078.4790 1968.4917 119.3505 -206112.2022 17769.4338 0.0000 0.0000 34307.5068 -149114.3301 299.6160 -183421.8369 -149019.1719 298.7178 -39.5215 -8.3408 558557.8740 -10.0509 -10.0520 PRESSURE: 69400 263.039 150.754 103.006 150.755 242.437 -65.6757 103.006 -65.6764 206.418 GPRESSURE: 69400 292.647 151.688 58.4128 92.4301 255.891 -153.799 156.845 -17.2771 257.647 PRESSAVG: 69400 -27.512 -32.448 -27.1988 -32.4481 77.4069 9.89507 -27.1987 9.89496 -4.49299 GPRESSAVG: 69400 -28.266 -33.3565 -27.3083 -30.9445 78.3732 8.58024 -27.535 10.9996 -4.3627 TIMING: 69400 CPU: 205.165, 0.00295067/step Wall: 205.165, 0.00295067/step, 4.04127 hours remaining, 200.699219 MB of memory in use. ENERGY: 69400 753.4409 2078.8618 1967.0961 107.2683 -206401.1239 18200.7277 0.0000 0.0000 34351.5686 -148942.1605 300.0008 -183293.7291 -148845.8342 299.8066 237.2980 268.7282 557087.4977 15.1340 15.2482 PRESSURE: 69600 -187.137 -16.5717 -98.6684 -16.5724 -90.9041 -19.7143 -98.6701 -19.7142 -88.9188 GPRESSURE: 69600 -219.544 -88.0101 -134.726 49.3253 13.2154 35.653 -4.87336 57.0764 -66.2509 PRESSAVG: 69600 11.667 0.0450336 -72.751 0.0450567 -24.4722 -22.7013 -72.7511 -22.7014 21.3509 GPRESSAVG: 69600 10.5875 0.252718 -73.2732 -1.80726 -23.9763 -23.197 -72.4051 -21.2839 21.6415 TIMING: 69600 CPU: 205.753, 0.00294091/step Wall: 205.753, 0.00294091/step, 4.02774 hours remaining, 200.699219 MB of memory in use. ENERGY: 69600 746.8463 2117.9416 1942.9528 111.5875 -205803.9210 17633.8162 0.0000 0.0000 34447.4066 -148803.3700 300.8378 -183250.7767 -148716.3997 300.2660 -122.3201 -90.8597 558040.2085 2.8486 2.7509 PRESSURE: 69800 -80.7588 145.351 -132.091 145.35 -1.68281 -159.148 -132.091 -159.148 -154.59 GPRESSURE: 69800 -51.6917 168.183 -129.118 108.84 48.3643 -72.978 -105.867 -187.845 -124.327 PRESSAVG: 69800 23.1181 35.6236 11.8602 35.6235 -54.9227 14.3444 11.8602 14.3445 3.22197 GPRESSAVG: 69800 23.294 34.0896 12.3034 38.5816 -55.8667 18.1305 13.1547 11.9914 3.67452 TIMING: 69800 CPU: 206.338, 0.00292658/step Wall: 206.338, 0.00292658/step, 4.00795 hours remaining, 200.699219 MB of memory in use. ENERGY: 69800 784.1950 2110.4776 1967.4989 118.9492 -205799.3925 17611.8000 0.0000 0.0000 34267.8732 -148938.5987 299.2699 -183206.4719 -148845.9900 300.1508 -79.0107 -42.5515 558164.8647 -9.5275 -9.6327 PRESSURE: 70000 206.955 -63.9628 14.6004 -63.9646 96.3966 -16.1446 14.6004 -16.1448 -2.58706 GPRESSURE: 70000 192.353 -104.415 34.7175 -73.3172 157.842 -107.455 -33.028 24.984 40.4791 PRESSAVG: 70000 -21.1342 15.8616 -28.2833 15.8615 32.0986 -1.8438 -28.2833 -1.8437 -25.6733 GPRESSAVG: 70000 -20.0736 15.4417 -29.2193 13.9669 31.1666 -6.36098 -29.6198 0.448527 -26.1359 TIMING: 70000 CPU: 206.928, 0.00294755/step Wall: 206.928, 0.00294755/step, 4.03651 hours remaining, 200.699219 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: 70000 775.4943 2098.1009 1961.0369 116.3452 -206241.2092 17945.6302 0.0000 0.0000 34260.3997 -149084.2020 299.2046 -183344.6017 -148985.2169 300.0722 100.2549 130.2247 557140.2309 -4.9030 -5.0143 PRESSURE: 70200 -78.8048 9.81407 47.4858 9.81446 19.0493 -50.8275 47.4863 -50.8283 -98.3772 GPRESSURE: 70200 -53.1959 117.136 57.8042 -24.3426 26.4708 -44.2723 78.202 -88.326 -46.9347 PRESSAVG: 70200 1.37791 73.7667 24.1913 73.7667 -49.5344 -69.6727 24.1913 -69.6727 43.4547 GPRESSAVG: 70200 1.59685 75.3744 25.2808 73.2707 -48.976 -68.9701 26.162 -71.2909 42.2454 TIMING: 70200 CPU: 207.516, 0.00294275/step Wall: 207.516, 0.00294275/step, 4.02978 hours remaining, 200.699219 MB of memory in use. ENERGY: 70200 765.3458 2107.0435 1958.4205 117.3669 -206196.5230 17844.1642 0.0000 0.0000 34374.8854 -149029.2967 300.2044 -183404.1821 -148936.6418 299.6038 -52.7109 -24.5533 557094.8816 -1.5673 -1.7113 PRESSURE: 70400 60.6249 -105.13 19.9119 -105.13 62.9835 -12.8068 19.9123 -12.8077 -37.9969 GPRESSURE: 70400 104.759 -132.896 53.4882 -138.468 40.8449 36.2214 -0.763637 -35.1108 25.8033 PRESSAVG: 70400 30.6869 -27.5021 80.1414 -27.5022 9.61155 -27.7486 80.1415 -27.7486 -70.4897 GPRESSAVG: 70400 30.7493 -27.7577 79.4953 -27.1264 8.367 -26.6577 79.4744 -27.5723 -69.1166 TIMING: 70400 CPU: 208.107, 0.00295137/step Wall: 208.107, 0.00295137/step, 4.04141 hours remaining, 200.699219 MB of memory in use. ENERGY: 70400 715.9353 2126.4140 1960.2408 109.2221 -206510.9164 17903.5544 0.0000 0.0000 34534.1143 -149161.4354 301.5950 -183695.5498 -149063.1149 299.5927 28.5372 57.1358 557722.1635 -10.0637 -10.0001 PRESSURE: 70600 57.1801 -24.0909 -91.5287 -24.0902 146.21 -37.5507 -91.5281 -37.5492 -44.2384 GPRESSURE: 70600 96.3497 82.7682 -136.426 -16.3786 215.305 -28.0271 -91.6059 -63.4853 -46.3169 PRESSAVG: 70600 -45.4594 -11.6871 18.384 -11.6872 30.1448 -29.4573 18.3841 -29.4572 39.1401 GPRESSAVG: 70600 -45.7216 -8.66224 17.4009 -11.801 32.0141 -27.9009 19.0963 -30.1009 37.555 TIMING: 70600 CPU: 208.7, 0.00296869/step Wall: 208.7, 0.00296869/step, 4.06496 hours remaining, 200.699219 MB of memory in use. ENERGY: 70600 773.3100 2100.9795 1951.1146 116.2270 -206341.7224 17848.5912 0.0000 0.0000 34356.8391 -149194.6609 300.0468 -183551.5001 -149096.4552 299.6478 53.0504 88.4458 557101.1451 7.9418 7.9491 PRESSURE: 70800 -45.2046 -106.898 70.4362 -106.899 -39.2641 -152.351 70.4347 -152.351 27.8411 GPRESSURE: 70800 16.5777 -109.685 46.4536 -78.9305 50.4377 -52.3567 108.027 -203.253 -26.3324 PRESSAVG: 70800 -30.2573 -25.5312 2.47609 -25.5313 -38.0924 -0.134766 2.47605 -0.134819 48.6497 GPRESSAVG: 70800 -30.3967 -28.6329 2.19013 -25.348 -38.7015 -1.02296 0.513781 1.18079 49.4547 TIMING: 70800 CPU: 209.291, 0.00295232/step Wall: 209.291, 0.00295232/step, 4.04238 hours remaining, 200.699219 MB of memory in use. ENERGY: 70800 759.5429 2093.8094 1957.6488 115.9614 -206190.9696 17835.4886 0.0000 0.0000 34371.4947 -149057.0239 300.1748 -183428.5186 -148961.5350 300.1913 -18.8759 13.5610 557454.9333 -6.5667 -6.5478 PRESSURE: 71000 -440.832 102.697 -13.2563 102.698 -130.794 79.495 -13.2574 79.4952 -116.017 GPRESSURE: 71000 -395.591 160.456 -17.541 47.0173 -139.15 76.1523 10.6352 69.9845 -61.7281 PRESSAVG: 71000 -88.7306 -45.6923 -2.32591 -45.6922 43.8943 -12.8427 -2.32591 -12.8428 9.71417 GPRESSAVG: 71000 -88.5422 -44.5961 -2.29954 -46.0193 43.8565 -12.5764 0.0349979 -11.3651 9.82181 TIMING: 71000 CPU: 209.88, 0.00294333/step Wall: 209.88, 0.00294333/step, 4.02991 hours remaining, 200.699219 MB of memory in use. ENERGY: 71000 785.4710 2139.0905 1973.5584 111.7150 -206209.1706 17753.9006 0.0000 0.0000 34406.5202 -149038.9150 300.4807 -183445.4352 -148946.1465 299.5219 -229.2139 -198.8231 558866.1369 -11.7074 -11.6213 PRESSURE: 71200 3.00851 -88.0946 -82.1406 -88.0947 67.9719 71.1115 -82.1407 71.1114 21.643 GPRESSURE: 71200 25.4793 -64.6382 -186.027 -75.2413 64.8338 54.9478 29.1336 116.279 90.4591 PRESSAVG: 71200 -61.2823 9.31513 -54.9005 9.31513 45.6401 0.113523 -54.9005 0.113556 47.629 GPRESSAVG: 71200 -61.2048 8.60787 -52.4938 11.1226 46.4743 1.69236 -57.3362 -0.53406 47.0733 TIMING: 71200 CPU: 210.467, 0.00293597/step Wall: 210.467, 0.00293597/step, 4.01966 hours remaining, 200.699219 MB of memory in use. ENERGY: 71200 774.3522 2116.2492 1970.9280 102.4876 -206303.3062 18025.2010 0.0000 0.0000 34278.7380 -149035.3502 299.3647 -183314.0882 -148941.8081 299.5511 30.8745 60.2574 558869.3000 10.6622 10.7809 PRESSURE: 71400 -91.3447 31.3412 158.684 31.3411 151.258 26.0611 158.686 26.0605 -20.3006 GPRESSURE: 71400 -19.0664 -61.8197 141.824 84.9624 165.801 39.7712 169.513 -54.6118 -3.21579 PRESSAVG: 71400 -23.6725 68.5322 -39.1962 68.5323 -4.83966 -53.4927 -39.1963 -53.4928 0.857367 GPRESSAVG: 71400 -23.3245 70.1629 -40.3083 66.547 -5.30743 -55.423 -38.5998 -53.8814 1.50127 TIMING: 71400 CPU: 211.054, 0.00293833/step Wall: 211.054, 0.00293833/step, 4.02273 hours remaining, 200.699219 MB of memory in use. ENERGY: 71400 745.0079 2058.5680 1953.3152 107.9884 -205994.9185 17638.5682 0.0000 0.0000 34161.7183 -149329.7525 298.3428 -183491.4708 -149230.0101 298.9220 13.2043 47.8395 556690.7838 -9.2183 -9.0436 PRESSURE: 71600 -160.748 211.963 290.604 211.963 -127.679 20.6018 290.604 20.602 -244.405 GPRESSURE: 71600 -172.564 111.111 269.316 276.655 -79.1769 -55.2994 249.596 26.0126 -192.184 PRESSAVG: 71600 29.3347 3.11838 14.6979 3.11834 5.59712 42.7335 14.698 42.7336 -22.0254 GPRESSAVG: 71600 28.2214 2.7524 15.5167 2.32612 5.41118 44.8298 14.7792 43.2104 -21.0321 TIMING: 71600 CPU: 211.644, 0.00294913/step Wall: 211.644, 0.00294913/step, 4.03735 hours remaining, 200.699219 MB of memory in use. ENERGY: 71600 757.5816 2098.9403 1971.9024 117.5853 -206309.6897 17650.4760 0.0000 0.0000 34412.3012 -149300.9029 300.5312 -183713.2040 -149207.5684 299.2642 -177.6107 -147.9751 558329.9018 4.3021 4.2002 PRESSURE: 71800 -58.7239 127.627 -50.116 127.626 -98.287 -95.3736 -50.1152 -95.3726 -194.141 GPRESSURE: 71800 12.4621 131.291 -91.5899 15.6604 -85.8791 -84.4315 -4.34794 -5.52425 -183.293 PRESSAVG: 71800 24.6279 41.7343 36.2528 41.7343 -12.4422 6.19096 36.2527 6.19114 32.9695 GPRESSAVG: 71800 25.0626 41.3182 35.3328 41.7747 -12.0393 4.29427 36.4962 6.27442 31.8461 TIMING: 71800 CPU: 212.232, 0.00293844/step Wall: 212.232, 0.00293844/step, 4.02256 hours remaining, 200.699219 MB of memory in use. ENERGY: 71800 733.6108 2151.2115 1961.4542 110.9240 -206282.0903 17755.4095 0.0000 0.0000 34294.5973 -149274.8830 299.5032 -183569.4803 -149166.5531 299.4467 -117.0506 -85.5701 558389.7466 15.0517 14.9565 PRESSURE: 72000 -147.37 -229.972 56.2349 -229.973 -114.572 -106.269 56.234 -106.268 37.1811 GPRESSURE: 72000 -114.571 -248.961 50.8285 -208.11 -81.8561 -13.4596 -5.90178 -178.105 68.7614 PRESSAVG: 72000 9.39591 33.0809 -58.3142 33.0809 -6.47971 25.1595 -58.3142 25.1594 7.60039 GPRESSAVG: 72000 9.90732 33.6504 -59.9403 32.9032 -6.50337 25.3506 -56.8712 23.406 6.86072 TIMING: 72000 CPU: 212.816, 0.00291947/step Wall: 212.816, 0.00291947/step, 3.99643 hours remaining, 200.699219 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: 72000 771.0354 2186.0130 1947.9728 118.9334 -206074.2343 17782.2378 0.0000 0.0000 34263.5368 -149004.5051 299.2320 -183268.0419 -148912.5990 299.2554 -74.9203 -42.5552 558324.3664 3.5055 3.4216 PRESSURE: 72200 190.73 -64.6541 -123.902 -64.6554 -101.553 -58.5918 -123.901 -58.592 -4.11709 GPRESSURE: 72200 259.406 -84.227 -161.815 19.9807 -88.3203 5.05068 -191.405 -144.307 18.293 PRESSAVG: 72200 35.2785 -32.9113 -8.11024 -32.9113 -7.45037 35.9184 -8.11022 35.9183 -44.3967 GPRESSAVG: 72200 35.58 -33.0994 -6.2334 -32.8135 -8.08321 36.5082 -10.5083 36.8321 -44.1614 TIMING: 72200 CPU: 213.405, 0.00294669/step Wall: 213.405, 0.00294669/step, 4.03353 hours remaining, 200.699219 MB of memory in use. ENERGY: 72200 755.2909 2084.6609 1973.7684 126.5166 -206217.3180 17894.3681 0.0000 0.0000 34253.9065 -149128.8066 299.1479 -183382.7132 -149027.3394 299.5569 28.3534 63.1262 556896.6977 -5.5228 -5.5549 LDB: ============= START OF LOAD BALANCING ============== 216.833 LDB: ============== END OF LOAD BALANCING =============== 216.833 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 216.834 LDB: ============= START OF LOAD BALANCING ============== 217.127 LDB: Largest compute 4820 load 0.025026 is 21.2% of average load 0.117770 LDB: Average compute 0.001725 is 1.5% of average load 0.117770 LDB: TIME 217.13 LOAD: AVG 0.11777 MAX 0.19376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.824 MB LDB: TIME 217.13 LOAD: AVG 0.11777 MAX 0.19376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.824 MB LDB: TIME 217.13 LOAD: AVG 0.11777 MAX 0.19376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 217.132 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 217.136 PRESSURE: 72400 138.65 -116.049 134.147 -116.049 162.791 63.6038 134.145 63.6052 64.2386 GPRESSURE: 72400 182.305 -155.873 84.5825 -136.168 175.372 65.2058 137.885 86.9878 115.246 PRESSAVG: 72400 19.6111 -30.0345 17.4827 -30.0346 -14.4313 14.1152 17.4826 14.1152 -19.3263 GPRESSAVG: 72400 20.9093 -31.6932 16.6041 -28.4376 -15.4883 13.9964 17.8049 12.7894 -19.076 TIMING: 72400 CPU: 214.006, 0.00300618/step Wall: 214.006, 0.00300618/step, 4.1148 hours remaining, 198.503906 MB of memory in use. ENERGY: 72400 778.3430 2122.4368 1989.3326 115.6452 -206430.7583 18069.9936 0.0000 0.0000 34219.0456 -149135.9614 298.8434 -183355.0070 -149043.2228 299.6035 121.8932 157.6409 556380.2834 -4.7155 -4.5517 PRESSURE: 72600 135.254 94.0471 -9.47741 94.0458 -295.537 88.4506 -9.47598 88.4529 85.9082 GPRESSURE: 72600 195.237 54.3076 13.2039 197.911 -276.617 6.52763 -31.5989 112.536 116.056 PRESSAVG: 72600 17.0824 -39.2581 -17.5349 -39.2581 -70.9533 -8.92982 -17.5349 -8.92978 40.8699 GPRESSAVG: 72600 15.5114 -39.0299 -16.2347 -40.1812 -70.2329 -9.84626 -17.7079 -7.9872 41.8632 TIMING: 72600 CPU: 214.599, 0.00296426/step Wall: 214.599, 0.00296426/step, 4.05725 hours remaining, 198.503906 MB of memory in use. ENERGY: 72600 787.5639 2060.8407 1947.9531 112.9392 -206046.5826 17807.4845 0.0000 0.0000 34178.9908 -149150.8104 298.4936 -183329.8011 -149061.3567 299.8562 -24.7917 11.5588 556482.9040 -4.3337 -4.2861 PRESSURE: 72800 -127.489 26.041 -50.5014 26.041 -13.908 -84.0418 -50.5019 -84.0404 271.6 GPRESSURE: 72800 -36.9454 -19.6963 -132.478 75.7102 55.66 21.1269 18.4975 -88.3806 224.116 PRESSAVG: 72800 48.6265 -35.1248 -13.9545 -35.1247 -61.4467 -12.0422 -13.9545 -12.0422 5.58132 GPRESSAVG: 72800 48.182 -35.1914 -16.8949 -35.6077 -59.3275 -14.3367 -11.8635 -9.7826 4.04656 TIMING: 72800 CPU: 215.189, 0.00295036/step Wall: 215.189, 0.00295036/step, 4.03805 hours remaining, 198.503906 MB of memory in use. ENERGY: 72800 744.0789 2112.5108 1945.0546 102.7885 -206313.4491 17843.5975 0.0000 0.0000 34496.6944 -149068.7244 301.2682 -183565.4188 -148966.1004 299.7188 43.4008 80.9434 557469.8799 -2.4130 -2.3663 PRESSURE: 73000 -255.788 -119.585 -101.259 -119.586 -153.564 35.482 -101.259 35.4831 -6.03597 GPRESSURE: 73000 -219.866 -92.041 -44.6548 -130.351 -71.8388 117.197 -115.209 -22.0409 -29.3336 PRESSAVG: 73000 18.4025 -23.2085 11.6559 -23.2085 -28.2082 32.7288 11.6558 32.7287 19.6286 GPRESSAVG: 73000 19.5147 -24.3721 12.8865 -21.6519 -29.696 35.7398 9.41046 30.5183 19.2346 TIMING: 73000 CPU: 215.776, 0.00293329/step Wall: 215.776, 0.00293329/step, 4.01453 hours remaining, 198.503906 MB of memory in use. ENERGY: 73000 792.3782 2147.3218 1955.9523 111.1840 -205957.8334 17720.7266 0.0000 0.0000 34237.9082 -148992.3623 299.0082 -183230.2705 -148910.9020 299.6085 -138.4626 -107.0129 558946.7432 3.2743 3.0177 PRESSURE: 73200 -97.687 139.423 25.3545 139.422 38.0826 102.995 25.3558 102.994 -68.7979 GPRESSURE: 73200 1.88467 212.234 65.3374 58.8639 29.6541 56.3162 -11.867 92.6949 -57.8196 PRESSAVG: 73200 -5.17023 -75.5572 71.5636 -75.5572 -23.3119 9.66733 71.5636 9.66722 16.5851 GPRESSAVG: 73200 -6.40505 -75.4383 71.1299 -77.4371 -23.357 6.58521 73.8613 10.8453 18.453 TIMING: 73200 CPU: 216.367, 0.00295631/step Wall: 216.367, 0.00295631/step, 4.04587 hours remaining, 198.503906 MB of memory in use. ENERGY: 73200 746.9563 2097.4805 1975.5127 119.5072 -206101.8289 17763.0724 0.0000 0.0000 34227.8777 -149171.4222 298.9206 -183399.2998 -149078.0640 299.2253 -42.8008 -8.7603 558497.7503 -3.9657 -3.7697 PRESSURE: 73400 -114.116 -104.663 -37.3944 -104.663 -115.844 10.557 -37.3938 10.5573 -5.14279 GPRESSURE: 73400 -36.4643 -135.236 0.483794 -29.8103 -154.598 7.82645 -40.7887 -39.5882 50.4791 PRESSAVG: 73400 35.9773 20.1239 0.0085449 20.124 -5.44227 -33.2019 0.00855296 -33.202 -23.4834 GPRESSAVG: 73400 35.9121 20.7579 0.442013 20.1729 -4.74636 -30.3209 -1.17789 -35.314 -24.4511 TIMING: 73400 CPU: 216.964, 0.00298144/step Wall: 216.964, 0.00298144/step, 4.08011 hours remaining, 198.503906 MB of memory in use. ENERGY: 73400 704.5734 2115.7639 1946.0577 112.0905 -206205.3087 17806.6679 0.0000 0.0000 34328.4063 -149191.7490 299.7985 -183520.1554 -149099.8215 299.0143 -78.3676 -46.8611 557667.7097 2.3505 2.2382 PRESSURE: 73600 -38.7971 13.9382 33.0356 13.9384 -177.413 -233.044 33.0354 -233.044 -114.082 GPRESSURE: 73600 21.5601 -18.1548 -38.8576 60.3774 -193.255 -298.009 105 -215.867 -63.9824 PRESSAVG: 73600 20.7893 3.15472 -18.4399 3.1547 41.3198 -5.65815 -18.4399 -5.65821 -71.604 GPRESSAVG: 73600 21.398 2.95338 -17.1087 4.86761 41.0431 -6.61747 -19.0499 -5.00631 -71.8102 TIMING: 73600 CPU: 217.556, 0.0029636/step Wall: 217.556, 0.0029636/step, 4.05552 hours remaining, 198.503906 MB of memory in use. ENERGY: 73600 757.1275 2080.2794 1986.0985 119.5713 -205915.4149 17650.2055 0.0000 0.0000 34150.5304 -149171.6024 298.2451 -183322.1328 -149075.3848 298.6312 -110.0971 -78.5590 557874.0402 -3.1650 -3.1230 PRESSURE: 73800 -54.3562 38.2561 -146.706 38.2571 -122.551 16.2669 -146.706 16.2692 -70.379 GPRESSURE: 73800 -14.2697 -19.5953 -96.1204 114.297 -72.5704 -27.6116 -209.774 4.02858 -66.7353 PRESSAVG: 73800 -27.8985 9.36204 -46.7791 9.36203 -53.3394 -93.4616 -46.7792 -93.4618 52.0013 GPRESSAVG: 73800 -28.3209 8.21113 -47.0276 9.84033 -53.3111 -93.2984 -46.4842 -94.5575 51.7554 TIMING: 73800 CPU: 218.145, 0.00294335/step Wall: 218.145, 0.00294335/step, 4.02764 hours remaining, 198.503906 MB of memory in use. ENERGY: 73800 720.5876 2094.5876 1951.5127 116.4841 -206163.8757 17805.9611 0.0000 0.0000 34338.5153 -149136.2271 299.8868 -183474.7424 -149036.5066 299.6501 -82.4286 -51.1918 558376.8349 -9.7455 -9.9589 PRESSURE: 74000 -37.1977 55.8989 -96.7381 55.8988 -7.75512 36.1032 -96.739 36.1032 -144.59 GPRESSURE: 74000 -19.6321 91.334 -28.1666 57.8238 23.7266 92.6078 -154.15 -46.0669 -90.9303 PRESSAVG: 74000 -16.182 22.9297 -78.5301 22.9298 12.7783 8.41744 -78.53 8.41743 -1.31082 GPRESSAVG: 74000 -17.0351 25.7182 -81.4781 21.2566 13.6618 10.0265 -79.7324 8.58505 -1.1528 TIMING: 74000 CPU: 218.733, 0.0029411/step Wall: 218.733, 0.0029411/step, 4.0244 hours remaining, 198.503906 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: 74000 738.5206 2062.5670 1961.3451 110.7548 -206128.2963 17757.7398 0.0000 0.0000 34470.5385 -149026.8304 301.0398 -183497.3689 -148928.5218 299.3451 -63.1808 -28.9452 558975.2576 -1.5715 -1.5087 PRESSURE: 74200 98.3658 -66.418 -224.079 -66.4189 65.4169 -14.9614 -224.079 -14.9619 -74.5948 GPRESSURE: 74200 118.024 -81.0862 -102.702 -120.127 104.726 -86.5908 -217.425 98.9025 -44.6153 PRESSAVG: 74200 -9.39809 -11.3078 -9.34605 -11.3078 -54.5341 -0.231505 -9.34608 -0.231528 45.7305 GPRESSAVG: 74200 -8.88065 -11.7637 -6.49067 -11.118 -54.4042 -0.0928724 -8.78101 1.33427 45.6392 TIMING: 74200 CPU: 219.328, 0.00297591/step Wall: 219.328, 0.00297591/step, 4.07187 hours remaining, 198.503906 MB of memory in use. ENERGY: 74200 705.2930 2093.5265 1952.1660 109.3300 -205769.6809 17819.8729 0.0000 0.0000 34225.3762 -148864.1163 298.8987 -183089.4924 -148773.6983 299.7283 29.7293 59.3782 558755.0820 -6.0672 -5.8819 PRESSURE: 74400 -9.01908 18.6141 -176.892 18.6153 -46.3658 -102.722 -176.892 -102.72 -63.1534 GPRESSURE: 74400 -27.8559 19.6113 -247.527 73.1275 -11.9305 -54.3213 -131.769 -94.134 20.0595 PRESSAVG: 74400 -0.90718 -25.8023 -46.0851 -25.8022 35.9324 29.3438 -46.0851 29.3438 -16.2552 GPRESSAVG: 74400 -0.418225 -27.371 -48.0349 -26.7473 35.2553 28.3063 -44.8285 28.5261 -16.1921 TIMING: 74400 CPU: 219.924, 0.00297847/step Wall: 219.924, 0.00297847/step, 4.07521 hours remaining, 198.503906 MB of memory in use. ENERGY: 74400 765.3210 2103.8786 1963.2710 102.2900 -206046.1590 17713.0675 0.0000 0.0000 34342.3042 -149056.0267 299.9199 -183398.3309 -148962.3425 299.4553 -39.5128 -6.5756 558170.7952 6.2567 6.2150 PRESSURE: 74600 -50.3173 0.900927 92.4252 0.899967 -321.344 12.7217 92.4255 12.7231 268.769 GPRESSURE: 74600 -25.7045 -53.6244 88.2806 34.667 -224.664 36.3181 62.2288 48.8767 244.482 PRESSAVG: 74600 4.6391 -8.19215 -10.8891 -8.19223 -38.5958 -5.20009 -10.889 -5.2001 20.3894 GPRESSAVG: 74600 4.65673 -7.91156 -10.9502 -7.31563 -37.1512 -6.36228 -12.8374 -4.87346 19.6104 TIMING: 74600 CPU: 220.512, 0.00294104/step Wall: 220.512, 0.00294104/step, 4.02384 hours remaining, 198.503906 MB of memory in use. ENERGY: 74600 769.4461 2063.7135 1918.1337 123.9967 -206077.0908 17749.6366 0.0000 0.0000 34484.6212 -148967.5430 301.1628 -183452.1642 -148869.6904 299.3331 -34.2974 -1.9623 559708.3897 -4.5224 -4.2947 PRESSURE: 74800 164.82 -117.915 -76.5205 -117.915 158.943 97.6008 -76.5213 97.6011 233.013 GPRESSURE: 74800 174.791 -74.4923 40.9999 -113.216 192.135 108.553 -193.025 87.7852 290.464 PRESSAVG: 74800 -7.64472 -46.0935 -21.2713 -46.0935 -56.3815 -23.8798 -21.2713 -23.8797 33.8735 GPRESSAVG: 74800 -8.14177 -44.2825 -19.5367 -47.1397 -56.2221 -23.8706 -20.7743 -23.9694 34.6115 TIMING: 74800 CPU: 221.101, 0.0029428/step Wall: 221.101, 0.0029428/step, 4.02607 hours remaining, 198.503906 MB of memory in use. ENERGY: 74800 716.0951 2090.4692 1966.6204 107.4274 -206480.9371 18157.4407 0.0000 0.0000 34296.2278 -149146.6565 299.5175 -183442.8843 -149051.8808 299.3639 185.5917 219.1300 558344.4359 -10.0509 -9.9175 PRESSURE: 75000 -14.1417 -116.913 -22.6164 -116.911 2.94003 83.7377 -22.6168 83.7379 -19.6568 GPRESSURE: 75000 -4.56076 -81.6728 -25.9099 -94.6852 50.3336 37.7516 -64.8075 121.59 10.966 PRESSAVG: 75000 29.8374 -44.4336 10.1257 -44.4336 -25.2836 12.5115 10.1257 12.5115 -24.4706 GPRESSAVG: 75000 29.9271 -47.1717 8.8225 -42.9737 -26.7849 15.4949 10.7173 11.1339 -22.9775 TIMING: 75000 CPU: 221.689, 0.002941/step Wall: 221.689, 0.002941/step, 4.02345 hours remaining, 198.503906 MB of memory in use. ENERGY: 75000 718.3102 2060.2035 1955.6460 121.8569 -205774.0127 17706.8579 0.0000 0.0000 34186.6438 -149024.4944 298.5605 -183211.1381 -148930.7167 299.3127 -10.2861 18.9129 558817.3538 -6.6389 -6.6118 PRESSURE: 75200 -315.453 -209.233 191.795 -209.233 -170.975 53.3117 191.795 53.3107 -234.51 GPRESSURE: 75200 -294.685 -288.13 154.167 -56.284 -149.068 37.6789 124.113 18.8169 -180.485 PRESSAVG: 75200 -28.3645 -57.0481 -10.2803 -57.0482 29.167 -28.3077 -10.2803 -28.3076 -19.6715 GPRESSAVG: 75200 -28.2384 -56.2559 -8.74591 -55.4002 28.7051 -29.1555 -12.0048 -27.115 -19.6183 TIMING: 75200 CPU: 222.275, 0.00292891/step Wall: 222.275, 0.00292891/step, 4.00675 hours remaining, 198.503906 MB of memory in use. ENERGY: 75200 747.4755 2007.3707 1954.5430 109.3309 -205851.7086 17432.5996 0.0000 0.0000 34458.3346 -149142.0543 300.9332 -183600.3889 -149042.4768 298.9063 -240.3126 -208.0795 557583.3146 -6.2897 -6.3839 PRESSURE: 75400 71.711 -67.6627 49.8503 -67.6624 36.3078 103.639 49.8496 103.639 48.4594 GPRESSURE: 75400 83.8077 -133.101 143.13 -15.1078 107.408 122.823 49.0997 126.324 70.092 PRESSAVG: 75400 21.2306 -38.9644 48.5599 -38.9645 -3.76877 -4.27006 48.56 -4.27006 1.7908 GPRESSAVG: 75400 20.845 -37.9216 46.0564 -41.4018 -2.54163 -6.20587 50.7073 -2.27518 1.12096 TIMING: 75400 CPU: 222.865, 0.0029502/step Wall: 222.865, 0.0029502/step, 4.03571 hours remaining, 198.503906 MB of memory in use. ENERGY: 75400 726.3943 2051.2034 1976.1367 101.6622 -206209.2809 17880.3543 0.0000 0.0000 34299.4466 -149174.0834 299.5456 -183473.5300 -149072.6494 299.4978 52.1594 87.1025 556843.8827 6.4175 6.4748 PRESSURE: 75600 43.6441 243.395 2.08684 243.394 40.853 8.63933 2.0875 8.63848 -16.7021 GPRESSURE: 75600 12.417 249.504 103.569 180.134 95.0661 23.7454 -182.844 10.0084 55.2123 PRESSAVG: 75600 33.4686 2.02549 48.3875 2.02545 -21.6802 32.6234 48.3875 32.6236 -46.4315 GPRESSAVG: 75600 34.0792 -0.957945 50.0433 4.54243 -21.7483 33.4356 47.0529 30.673 -46.6607 TIMING: 75600 CPU: 223.457, 0.00295994/step Wall: 223.457, 0.00295994/step, 4.04888 hours remaining, 198.503906 MB of memory in use. ENERGY: 75600 725.7296 2047.0472 1970.9995 125.1543 -206257.5597 17858.2083 0.0000 0.0000 34299.4909 -149230.9299 299.5460 -183530.4208 -149134.4011 298.7863 22.5983 54.2318 556498.1777 -11.5477 -11.4432 PRESSURE: 75800 40.4972 110.354 -57.4793 110.354 91.0726 -68.2191 -57.4789 -68.2176 162.434 GPRESSURE: 75800 44.9066 121.49 -0.93359 135.93 81.8564 -74.0502 -74.0538 -59.0758 263.021 PRESSAVG: 75800 -30.904 12.8617 -20.1739 12.8617 -9.25519 23.5668 -20.1739 23.5669 1.64386 GPRESSAVG: 75800 -31.2626 14.8911 -20.7918 11.0076 -8.57087 24.9112 -18.7318 23.3382 1.17694 TIMING: 75800 CPU: 224.049, 0.0029587/step Wall: 224.049, 0.0029587/step, 4.047 hours remaining, 198.503906 MB of memory in use. ENERGY: 75800 703.6024 2100.8912 1973.7945 99.6858 -205821.9778 17655.9661 0.0000 0.0000 34113.5534 -149174.4844 297.9221 -183288.0378 -149072.7178 299.0715 98.0011 129.9280 556237.6707 -12.8384 -12.8855 PRESSURE: 76000 -14.06 -127.452 63.0275 -127.453 -127.916 -4.66309 63.0267 -4.6623 -120.792 GPRESSURE: 76000 33.0442 -167.305 32.7154 -85.4382 -123.737 -39.0454 137.65 -2.51975 -75.0354 PRESSAVG: 76000 24.504 16.0309 25.826 16.0309 36.9554 -0.147799 25.826 -0.147865 -14.5368 GPRESSAVG: 76000 24.9607 15.9553 24.4005 16.4892 36.3555 -1.92711 25.0572 1.16087 -14.6 TIMING: 76000 CPU: 224.644, 0.00297638/step Wall: 224.644, 0.00297638/step, 4.07103 hours remaining, 198.503906 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: 76000 779.6624 2026.6684 1947.9324 108.0729 -205653.4761 17498.1828 0.0000 0.0000 33986.8782 -149306.0790 296.8159 -183292.9572 -149217.9972 298.8470 -87.5891 -55.2428 556177.7338 15.6408 15.5721 PRESSURE: 76200 -105.639 35.0033 -63.3585 35.0028 -119.871 63.8288 -63.3573 63.8287 -319.033 GPRESSURE: 76200 -68.2149 22.7355 -117.167 127.561 -107.759 -30.8592 -71.9604 107.019 -266.826 PRESSAVG: 76200 -2.50908 40.263 56.4119 40.263 -4.72998 5.01397 56.4119 5.01402 12.0777 GPRESSAVG: 76200 -2.5249 40.2945 58.0186 38.102 -5.85652 3.684 55.2683 6.78052 12.5673 TIMING: 76200 CPU: 225.238, 0.00296915/step Wall: 225.238, 0.00296915/step, 4.06097 hours remaining, 198.503906 MB of memory in use. ENERGY: 76200 753.7930 2047.1305 1937.4612 122.8585 -206044.3036 17606.5280 0.0000 0.0000 34132.8043 -149443.7282 298.0903 -183576.5325 -149348.2225 298.5003 -181.5146 -147.6001 555001.0391 1.6129 1.3953 LDB: ============= START OF LOAD BALANCING ============== 228.663 LDB: ============== END OF LOAD BALANCING =============== 228.664 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 228.665 LDB: ============= START OF LOAD BALANCING ============== 228.959 LDB: Largest compute 4848 load 0.024979 is 21.2% of average load 0.117648 LDB: Average compute 0.001723 is 1.5% of average load 0.117648 LDB: TIME 228.961 LOAD: AVG 0.117648 MAX 0.194784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 198.699 MB LDB: TIME 228.961 LOAD: AVG 0.117648 MAX 0.194784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.699 MB LDB: TIME 228.962 LOAD: AVG 0.117648 MAX 0.194784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 198.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 228.964 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 228.968 PRESSURE: 76400 64.4318 -21.1376 -6.92875 -21.1362 -223.664 124.774 -6.92822 124.773 29.3269 GPRESSURE: 76400 116.875 -10.6821 -26.7394 -17.5095 -197.57 20.8101 -1.01536 157.286 49.9377 PRESSAVG: 76400 -42.8506 -19.4033 27.6066 -19.4032 -16.9573 27.0241 27.6066 27.024 50.4433 GPRESSAVG: 76400 -43.8512 -19.0058 27.33 -17.966 -15.7537 28.9878 28.289 24.1754 49.8061 TIMING: 76400 CPU: 225.838, 0.00300154/step Wall: 225.838, 0.00300154/step, 4.1051 hours remaining, 200.750000 MB of memory in use. ENERGY: 76400 757.1655 2082.8692 1902.8220 108.6594 -206141.0195 17740.8899 0.0000 0.0000 34166.4284 -149382.1849 298.3839 -183548.6134 -149292.6391 298.6166 -43.3018 -10.2525 557399.7333 -3.1215 -3.2663 PRESSURE: 76600 -289.496 -119.072 -16.113 -119.072 -66.353 125.885 -16.1122 125.883 28.8996 GPRESSURE: 76600 -292.51 -180.207 2.37821 -41.2514 -40.876 165.35 -42.1015 33.1018 95.6316 PRESSAVG: 76600 12.1564 -19.5599 -3.55871 -19.5599 -3.09989 35.1578 -3.55874 35.1578 19.1741 GPRESSAVG: 76600 12.2595 -22.1974 -4.08824 -18.4622 -4.01216 33.9274 -2.8099 36.3122 19.563 TIMING: 76600 CPU: 226.427, 0.00294578/step Wall: 226.427, 0.00294578/step, 4.02868 hours remaining, 200.820312 MB of memory in use. ENERGY: 76600 802.7641 2084.7614 1965.5241 105.6224 -206151.3381 17730.1479 0.0000 0.0000 34270.7823 -149191.7358 299.2953 -183462.5182 -149091.8995 299.1457 -108.9832 -79.2514 558268.5463 9.4102 9.2701 PRESSURE: 76800 -182.771 66.6779 185.616 66.6786 31.2425 -71.4413 185.615 -71.4409 133.783 GPRESSURE: 76800 -146.612 50.0333 191.512 73.0057 76.9263 -63.8872 121.398 37.9299 141.813 PRESSAVG: 76800 -109.488 -55.174 -49.7619 -55.174 62.9491 -40.1725 -49.7619 -40.1725 31.8955 GPRESSAVG: 76800 -109.614 -53.8719 -50.0827 -55.3978 63.2104 -39.4189 -49.6353 -40.5544 32.0104 TIMING: 76800 CPU: 227.012, 0.00292496/step Wall: 227.012, 0.00292496/step, 4.00004 hours remaining, 200.820312 MB of memory in use. ENERGY: 76800 724.5160 2183.6888 1965.8818 110.6175 -206198.8454 17843.6385 0.0000 0.0000 34130.2217 -149240.2811 298.0677 -183370.5028 -149144.1230 299.0234 -5.9153 24.0424 558543.0630 -4.8811 -4.7976 PRESSURE: 77000 -23.0806 -2.26595 198.766 -2.26615 -89.1162 -63.0206 198.765 -63.0221 -59.9544 GPRESSURE: 77000 -14.765 5.13154 85.1064 80.7581 -18.8235 -29.0767 222.826 -96.9405 -41.3047 PRESSAVG: 77000 -35.3245 -65.151 40.4586 -65.1511 -2.63827 16.7224 40.4587 16.7223 -0.141913 GPRESSAVG: 77000 -35.4976 -65.2815 40.1156 -64.7667 -2.02874 15.6194 39.4002 17.2495 -0.916832 TIMING: 77000 CPU: 227.599, 0.0029353/step Wall: 227.599, 0.0029353/step, 4.01402 hours remaining, 200.820312 MB of memory in use. ENERGY: 77000 787.4849 2094.4836 1970.5056 113.6293 -205889.2433 17760.3988 0.0000 0.0000 34155.8579 -149006.8832 298.2916 -183162.7411 -148905.8900 299.3670 -57.3837 -24.9644 557669.5829 -12.7016 -12.8144 PRESSURE: 77200 76.2422 143.957 146.544 143.958 -62.9178 152.941 146.544 152.94 96.9101 GPRESSURE: 77200 78.5 192.904 93.4695 129.346 -41.3705 117.957 217.113 122.109 154.353 PRESSAVG: 77200 39.3553 12.722 24.766 12.722 -8.00061 28.3498 24.766 28.3499 -11.9953 GPRESSAVG: 77200 39.8286 12.0757 25.1293 11.6851 -8.57473 29.7881 26.7998 26.2385 -11.6783 TIMING: 77200 CPU: 228.188, 0.00294591/step Wall: 228.188, 0.00294591/step, 4.02837 hours remaining, 200.820312 MB of memory in use. ENERGY: 77200 754.2229 2072.2470 1930.0389 109.6502 -206135.6528 17727.5262 0.0000 0.0000 34582.8159 -148959.1516 302.0203 -183541.9675 -148860.9764 299.8410 36.7448 63.8276 556317.8939 6.4531 6.5252 PRESSURE: 77400 -192.034 137.673 101.563 137.674 -113.976 4.49222 101.563 4.49323 -276.435 GPRESSURE: 77400 -98.6321 149.323 62.938 108.814 -130.308 -42.4314 97.8918 65.5363 -246.956 PRESSAVG: 77400 74.5901 30.4326 13.126 30.4327 -27.3711 6.8812 13.1259 6.8812 -25.3193 GPRESSAVG: 77400 75.1705 31.9745 12.9065 29.0278 -26.9355 3.99909 11.668 9.03946 -25.8865 TIMING: 77400 CPU: 228.779, 0.00295349/step Wall: 228.779, 0.00295349/step, 4.03857 hours remaining, 200.820312 MB of memory in use. ENERGY: 77400 773.4369 2081.0983 1948.7137 118.6784 -205806.2105 17475.4387 0.0000 0.0000 34451.1126 -148957.7319 300.8701 -183408.8445 -148863.4864 300.0227 -194.1485 -158.6320 557422.2863 7.2999 7.4495 PRESSURE: 77600 60.8793 79.176 187.298 79.1754 -41.7808 74.15 187.299 74.1499 155.628 GPRESSURE: 77600 160.234 42.8787 215.071 83.1126 -43.4579 65.5946 142.502 116.604 153.861 PRESSAVG: 77600 16.79 26.4547 8.61809 26.4547 -7.83113 59.482 8.61804 59.482 -36.0926 GPRESSAVG: 77600 16.614 25.1168 8.12501 28.6526 -8.40131 63.0264 8.30984 58.3249 -35.3009 TIMING: 77600 CPU: 229.369, 0.00294815/step Wall: 229.369, 0.00294815/step, 4.03111 hours remaining, 200.820312 MB of memory in use. ENERGY: 77600 739.5934 2158.3722 1964.1178 113.5340 -206275.9027 17924.0878 0.0000 0.0000 34413.0167 -148963.1808 300.5374 -183376.1976 -148870.5634 300.0430 58.2422 90.2122 556808.6147 -9.0446 -9.0294 PRESSURE: 77800 -69.8869 17.0682 -180.703 17.0691 -27.1381 101.589 -180.704 101.588 -109.68 GPRESSURE: 77800 -25.7092 1.88648 -134.822 20.6528 -31.559 96.6665 -176.333 130.949 -45.1377 PRESSAVG: 77800 -38.7803 -17.6275 6.46582 -17.6274 79.4777 70.6296 6.46583 70.6296 -28.3917 GPRESSAVG: 77800 -38.3794 -16.4931 8.01398 -17.2932 79.9777 70.1141 7.95768 69.968 -29.1205 TIMING: 77800 CPU: 229.956, 0.00293568/step Wall: 229.956, 0.00293568/step, 4.01389 hours remaining, 200.820312 MB of memory in use. ENERGY: 77800 732.6604 2073.8782 1946.7970 118.8678 -206074.7477 17719.0738 0.0000 0.0000 34566.7131 -148916.7574 301.8797 -183483.4705 -148817.3639 300.3626 -68.9017 -34.1353 556974.0458 4.1019 4.1593 PRESSURE: 78000 77.3471 59.2466 81.7877 59.2457 -77.8649 205.81 81.7883 205.81 -236.006 GPRESSURE: 78000 102.833 55.1877 98.3786 42.2726 -45.4462 216.762 91.5318 157.237 -191.881 PRESSAVG: 78000 -1.37936 -87.1501 -16.5639 -87.1501 11.0631 61.7066 -16.5638 61.7065 7.20086 GPRESSAVG: 78000 -2.12275 -88.8905 -17.6957 -87.2562 11.4681 61.111 -17.7305 61.0793 7.46411 TIMING: 78000 CPU: 230.542, 0.00292938/step Wall: 230.542, 0.00292938/step, 4.00512 hours remaining, 200.820312 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: 78000 740.1574 2132.6053 1966.4213 117.1624 -206033.2031 17755.6050 0.0000 0.0000 34376.3380 -148944.9137 300.2171 -183321.2517 -148852.9929 300.6731 -78.8413 -44.8311 557718.9404 5.6282 5.6032 PRESSURE: 78200 -466.519 13.0601 62.8538 13.0598 -177.174 -132.89 62.8542 -132.889 -110.443 GPRESSURE: 78200 -440.304 44.9759 122.932 -52.5392 -128.402 -68.7321 78.1609 -154.924 -87.2558 PRESSAVG: 78200 70.3164 4.26574 3.11452 4.2657 47.7175 37.5069 3.11453 37.5069 -138.86 GPRESSAVG: 78200 70.5915 3.62151 1.98437 4.15928 47.9513 37.7569 5.38649 40.0858 -138.933 TIMING: 78200 CPU: 231.131, 0.00294604/step Wall: 231.131, 0.00294604/step, 4.02773 hours remaining, 200.820312 MB of memory in use. ENERGY: 78200 752.0219 2190.4477 1983.1575 118.9784 -205531.3947 17304.6954 0.0000 0.0000 34350.3514 -148831.7423 299.9902 -183182.0937 -148729.3382 299.7674 -251.3785 -218.6538 558821.4672 -6.9421 -6.7966 PRESSURE: 78400 -80.0009 -205.129 34.2715 -205.129 96.0111 183.221 34.2732 183.22 -29.0568 GPRESSURE: 78400 -53.9108 -200.412 123.744 -233.21 120.191 113.425 -68.0366 237.581 20.8095 PRESSAVG: 78400 4.58142 -61.4189 12.8295 -61.419 -9.15117 39.2269 12.8296 39.2269 14.4556 GPRESSAVG: 78400 4.72516 -59.5151 12.2738 -63.0037 -9.77082 38.0307 11.5871 37.8892 14.8621 TIMING: 78400 CPU: 231.716, 0.00292403/step Wall: 231.716, 0.00292403/step, 3.99747 hours remaining, 200.820312 MB of memory in use. ENERGY: 78400 744.2898 2111.3426 1974.6890 126.7460 -206018.5876 17859.2855 0.0000 0.0000 34299.5252 -148902.7094 299.5463 -183202.2347 -148807.0580 300.4675 -4.3488 29.0299 558415.5373 3.2953 3.2722 PRESSURE: 78600 131.712 -57.0735 -36.9382 -57.0736 218.705 -61.5303 -36.9387 -61.5312 -138.185 GPRESSURE: 78600 176.043 23.5922 -25.4925 -2.75439 287.98 -61.5309 -24.4483 -58.9364 -149.241 PRESSAVG: 78600 -70.5545 -2.74422 38.0527 -2.74424 13.0673 38.0071 38.0527 38.0071 18.0407 GPRESSAVG: 78600 -71.9298 -1.93693 39.5726 -3.65618 14.239 38.8708 38.4537 37.709 18.2193 TIMING: 78600 CPU: 232.307, 0.00295577/step Wall: 232.307, 0.00295577/step, 4.0407 hours remaining, 200.820312 MB of memory in use. ENERGY: 78600 750.2351 2120.2009 1968.0630 113.1056 -206045.2979 17846.6879 0.0000 0.0000 34248.6008 -148998.4046 299.1015 -183247.0054 -148896.4529 300.6030 70.7441 104.9273 557210.3078 -13.1488 -13.1572 PRESSURE: 78800 -114.488 31.1705 -82.8962 31.1711 -174.428 -22.5226 -82.8959 -22.5233 -121.677 GPRESSURE: 78800 -95.5219 56.9044 -44.3051 -0.0722713 -146.353 59.3664 -142.018 -65.7329 -67.2952 PRESSAVG: 78800 5.51746 -30.5317 34.567 -30.5318 38.5289 -9.77879 34.567 -9.77885 -41.0975 GPRESSAVG: 78800 6.88538 -30.9048 33.5586 -30.4771 36.3183 -9.11236 34.9509 -10.1386 -40.3283 TIMING: 78800 CPU: 232.897, 0.00294931/step Wall: 232.897, 0.00294931/step, 4.0317 hours remaining, 200.820312 MB of memory in use. ENERGY: 78800 730.0550 2030.2994 1962.8098 122.4522 -205981.9750 17580.2499 0.0000 0.0000 34451.2027 -149104.9060 300.8709 -183556.1087 -149004.5651 300.0431 -136.8644 -103.0569 557288.2456 0.9830 0.9585 PRESSURE: 79000 -30.7581 -44.2905 -31.0375 -44.2905 -40.6813 -26.0886 -31.0373 -26.0893 259.178 GPRESSURE: 79000 18.3747 -38.6918 27.9012 -94.3699 58.4393 -45.4817 -45.1379 96.8967 208.873 PRESSAVG: 79000 -64.6836 -35.7363 -33.109 -35.7363 57.4325 -11.9118 -33.109 -11.9118 -12.4196 GPRESSAVG: 79000 -64.6074 -36.4337 -33.4572 -35.1741 59.0049 -13.5672 -33.9295 -12.1689 -14.1603 TIMING: 79000 CPU: 233.484, 0.00293645/step Wall: 233.484, 0.00293645/step, 4.01396 hours remaining, 200.820312 MB of memory in use. ENERGY: 79000 757.4914 2093.6359 1964.4154 130.6102 -206228.0369 17976.9371 0.0000 0.0000 34356.2603 -148948.6866 300.0418 -183304.9469 -148855.4271 299.7863 62.5796 95.2291 556784.1710 -6.5569 -6.5876 PRESSURE: 79200 -224.519 135.067 -19.5777 135.068 -87.4173 147.893 -19.5775 147.893 -144.287 GPRESSURE: 79200 -172.34 169.656 7.80067 90.3205 -62.0064 194.14 3.09819 112.412 -107.329 PRESSAVG: 79200 -5.97468 -22.9793 -58.3036 -22.9794 -16.3217 -8.02142 -58.3036 -8.0215 -1.66107 GPRESSAVG: 79200 -6.54413 -22.2722 -58.5094 -21.6083 -16.017 -6.89652 -57.7839 -7.00867 -0.748117 TIMING: 79200 CPU: 234.066, 0.0029103/step Wall: 234.066, 0.0029103/step, 3.97806 hours remaining, 200.820312 MB of memory in use. ENERGY: 79200 766.6497 2183.6155 1969.8034 112.7226 -206004.3559 17675.0095 0.0000 0.0000 34336.9528 -148959.6025 299.8731 -183296.5553 -148866.2500 299.8029 -152.0746 -113.8919 558661.6070 -7.9858 -7.7698 PRESSURE: 79400 -73.4838 -90.8336 -179.416 -90.8332 -131.356 43.5429 -179.417 43.5409 4.3527 GPRESSURE: 79400 -26.5777 -124.536 -149.36 -39.6487 -86.6215 68.2685 -161.139 11.3082 6.59296 PRESSAVG: 79400 44.1117 4.89964 -47.4177 4.89977 -22.6122 10.1496 -47.4177 10.1497 17.1898 GPRESSAVG: 79400 44.3139 3.13771 -47.2457 4.12183 -22.393 10.8269 -48.538 9.74565 17.3198 TIMING: 79400 CPU: 234.653, 0.00293264/step Wall: 234.653, 0.00293264/step, 4.00843 hours remaining, 200.820312 MB of memory in use. ENERGY: 79400 777.4771 2063.7991 1968.1853 121.1213 -205842.0714 17655.5525 0.0000 0.0000 34280.8656 -148975.0706 299.3833 -183255.9362 -148867.9008 299.8526 -66.8290 -35.5354 559307.2883 12.8964 13.0802 PRESSURE: 79600 -355.222 162.688 -137.102 162.687 32.2066 -167.78 -137.102 -167.781 -134.663 GPRESSURE: 79600 -261.116 188.581 -93.0327 123.789 31.2406 -133.766 -170.623 -168.842 -145.731 PRESSAVG: 79600 -38.6128 -20.5556 -10.9853 -20.5556 -36.0869 -31.8855 -10.9853 -31.8855 47.3432 GPRESSAVG: 79600 -37.9723 -18.8444 -10.7174 -21.5378 -36.8938 -31.5159 -8.06287 -33.0681 47.6262 TIMING: 79600 CPU: 235.242, 0.00294716/step Wall: 235.242, 0.00294716/step, 4.02812 hours remaining, 200.820312 MB of memory in use. ENERGY: 79600 764.8012 2082.8430 1989.2255 119.3369 -205696.3498 17582.8359 0.0000 0.0000 34207.1951 -148950.1121 298.7399 -183157.3072 -148850.3441 299.5758 -152.5595 -125.2019 559132.8499 -9.1189 -9.0800 PRESSURE: 79800 -188.749 115.023 -134.408 115.022 -15.2829 131.481 -134.406 131.482 -467.902 GPRESSURE: 79800 -166.286 116.336 -45.0272 101.133 56.3981 106.884 -119.334 180.543 -466.178 PRESSAVG: 79800 -28.0235 16.5289 33.2811 16.5289 36.9078 -40.4725 33.2812 -40.4724 -16.5447 GPRESSAVG: 79800 -28.3808 15.7892 33.2479 16.0012 37.328 -42.6329 32.2626 -40.2824 -16.0817 TIMING: 79800 CPU: 235.834, 0.00295938/step Wall: 235.834, 0.00295938/step, 4.04465 hours remaining, 200.820312 MB of memory in use. ENERGY: 79800 750.8592 2078.1642 1928.3470 115.5694 -205918.4705 17677.7450 0.0000 0.0000 34342.5063 -149025.2793 299.9216 -183367.7857 -148923.1527 299.1610 -223.9779 -192.0220 559835.0382 -2.5535 -2.3782 PRESSURE: 80000 -7.6641 -16.0831 65.9161 -16.083 -294.446 49.7696 65.9147 49.7693 -256.122 GPRESSURE: 80000 1.05481 17.04 125.125 -10.9913 -234.479 -5.50543 -64.3395 35.868 -222.587 PRESSAVG: 80000 46.1921 -7.95767 49.4615 -7.95776 17.4191 -61.7538 49.4615 -61.7537 -17.8393 GPRESSAVG: 80000 46.8885 -8.80162 48.3026 -7.61119 17.2834 -61.8494 50.6737 -61.1005 -18.2929 TIMING: 80000 CPU: 236.427, 0.00296283/step Wall: 236.427, 0.00296283/step, 4.0492 hours remaining, 200.820312 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: 80000 693.9341 2128.3147 1963.5810 115.6264 -205789.8359 17621.2797 0.0000 0.0000 34201.8206 -149065.2795 298.6930 -183267.1001 -148963.8525 299.4452 -186.0774 -152.0038 558374.4466 15.2573 15.2930 PRESSURE: 80200 -39.3222 -186.363 -14.2133 -186.362 110.511 -248.819 -14.2136 -248.819 0.640433 GPRESSURE: 80200 19.0183 -156.01 -40.3661 -236.009 77.9386 -167.745 -15.0914 -272.931 60.7742 PRESSAVG: 80200 24.6706 9.05249 2.46509 9.05244 32.3332 -35.1134 2.4651 -35.1134 -28.7369 GPRESSAVG: 80200 23.3902 7.47113 3.32841 11.183 32.7671 -35.1387 0.137071 -34.9745 -27.6767 TIMING: 80200 CPU: 237.017, 0.00295427/step Wall: 237.017, 0.00295427/step, 4.03734 hours remaining, 200.820312 MB of memory in use. ENERGY: 80200 802.2024 2106.5673 1969.7935 107.5850 -206239.9605 17905.2818 0.0000 0.0000 34213.8023 -149134.7282 298.7976 -183348.5306 -149038.7762 299.2022 23.9430 52.5771 557981.2238 9.4223 9.4935 LDB: ============= START OF LOAD BALANCING ============== 240.444 LDB: ============== END OF LOAD BALANCING =============== 240.444 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 240.446 LDB: ============= START OF LOAD BALANCING ============== 240.743 LDB: Largest compute 4820 load 0.026073 is 22.2% of average load 0.117607 LDB: Average compute 0.001722 is 1.5% of average load 0.117607 LDB: TIME 240.746 LOAD: AVG 0.117607 MAX 0.197561 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.648 MB LDB: TIME 240.746 LOAD: AVG 0.117607 MAX 0.197561 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.852 MB LDB: TIME 240.746 LOAD: AVG 0.117607 MAX 0.197561 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.852 MB LDB: ============== END OF LOAD BALANCING =============== 240.748 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 240.752 PRESSURE: 80400 -145.694 35.714 31.1482 35.7137 255.394 -33.6006 31.148 -33.599 80.1419 GPRESSURE: 80400 -98.4003 35.1836 34.9737 72.6239 285.762 29.5894 35.0176 -95.1611 81.165 PRESSAVG: 80400 -2.203 -20.4488 67.2138 -20.4487 14.9014 24.884 67.2138 24.884 11.8723 GPRESSAVG: 80400 -1.0422 -17.7581 66.0388 -21.4467 15.555 27.7389 70.046 23.8693 10.5752 TIMING: 80400 CPU: 237.622, 0.00302442/step Wall: 237.622, 0.00302442/step, 4.13303 hours remaining, 201.445312 MB of memory in use. ENERGY: 80400 740.4611 2042.0526 1964.7131 130.9463 -206208.5648 17881.9837 0.0000 0.0000 34378.2795 -149070.1286 300.2341 -183448.4080 -148971.1039 299.7223 63.2805 89.5090 557947.1979 8.1902 8.3627 PRESSURE: 80600 114.765 -143.579 29.7024 -143.579 -33.5555 -20.5718 29.7022 -20.5718 -23.413 GPRESSURE: 80600 171.281 -179.593 -0.215015 -91.7247 44.7356 19.2972 -65.9424 14.1113 -52.6273 PRESSAVG: 80600 33.4801 15.7699 13.8995 15.7698 16.8065 -22.1014 13.8996 -22.1014 -49.8952 GPRESSAVG: 80600 32.1683 16.5361 16.2712 13.7354 17.5391 -22.9777 11.5144 -22.9506 -49.0756 TIMING: 80600 CPU: 238.214, 0.00296044/step Wall: 238.214, 0.00296044/step, 4.04544 hours remaining, 201.515625 MB of memory in use. ENERGY: 80600 779.9667 2040.2033 1935.2005 110.3089 -206306.6278 17912.2686 0.0000 0.0000 34534.2234 -148994.4564 301.5960 -183528.6799 -148896.3925 300.1214 19.2656 54.4632 558201.1925 0.1305 0.2106 PRESSURE: 80800 -10.1248 -46.2311 -63.9806 -46.2306 195.468 -40.5707 -63.9798 -40.5706 136.451 GPRESSURE: 80800 10.4026 -8.34177 -99.888 -14.7788 222.313 -59.9764 -7.33408 -53.3021 181.456 PRESSAVG: 80800 33.9613 -47.0102 7.87457 -47.0103 68.1301 7.60096 7.87468 7.60097 -89.2463 GPRESSAVG: 80800 35.3442 -48.187 7.3822 -45.1917 66.4759 5.24736 7.77545 9.36723 -88.8499 TIMING: 80800 CPU: 238.802, 0.00293609/step Wall: 238.802, 0.00293609/step, 4.012 hours remaining, 201.515625 MB of memory in use. ENERGY: 80800 751.8044 2106.1684 1979.4093 106.9717 -206287.2227 17875.3527 0.0000 0.0000 34103.7243 -149363.7918 297.8363 -183467.5161 -149263.2229 299.3930 107.2645 138.0572 555349.9272 4.2817 4.3234 PRESSURE: 81000 209.098 -14.2095 -32.9875 -14.2097 -131.615 -136.318 -32.986 -136.318 -122.018 GPRESSURE: 81000 176.223 50.9211 -58.1924 22.8742 -56.5985 -203.634 -32.1982 -110.418 -61.84 PRESSAVG: 81000 -8.19943 30.5365 -38.7402 30.5364 25.3762 -45.1283 -38.7403 -45.1282 43.2763 GPRESSAVG: 81000 -8.96751 30.5816 -39.5395 28.0304 26.7652 -44.9573 -38.7449 -45.5248 42.7615 TIMING: 81000 CPU: 239.393, 0.00295536/step Wall: 239.393, 0.00295536/step, 4.03817 hours remaining, 201.515625 MB of memory in use. ENERGY: 81000 756.1383 2117.0911 1957.0521 126.9045 -206496.0028 17822.8428 0.0000 0.0000 34345.0307 -149370.9434 299.9437 -183715.9740 -149275.9090 298.8572 -14.8450 19.2614 555929.5750 20.1510 20.1864 PRESSURE: 81200 252.146 -70.6685 -31.8197 -70.668 85.191 -43.6987 -31.8202 -43.6982 -132.568 GPRESSURE: 81200 258.143 -40.6014 -7.0141 -48.5813 73.0912 -51.1321 -125.496 -47.3614 -43.1734 PRESSAVG: 81200 59.3486 29.1057 -26.7176 29.1057 -49.1202 5.13421 -26.7176 5.13419 14.1379 GPRESSAVG: 81200 59.2694 29.412 -27.3028 29.5185 -50.0054 6.35965 -24.85 3.38416 14.5532 TIMING: 81200 CPU: 239.979, 0.00292946/step Wall: 239.979, 0.00292946/step, 4.00262 hours remaining, 201.515625 MB of memory in use. ENERGY: 81200 754.2801 2104.3329 1942.4217 121.9760 -206482.5435 17946.3636 0.0000 0.0000 34254.3753 -149358.7938 299.1520 -183613.1691 -149264.6097 299.4410 68.2566 96.0203 557165.9331 8.1221 7.9391 PRESSURE: 81400 281.988 -7.35229 18.6906 -7.35181 141.097 -150.478 18.6904 -150.478 298.223 GPRESSURE: 81400 304.496 -7.5776 23.1584 -14.3692 172.071 -82.5721 10.5089 -192.444 358.003 PRESSAVG: 81400 40.2777 -26.5627 20.7863 -26.5626 -19.9806 -31.4115 20.7864 -31.4115 -75.8919 GPRESSAVG: 81400 39.7913 -27.6362 22.1354 -25.8299 -19.5299 -31.6512 19.7982 -28.9964 -75.6461 TIMING: 81400 CPU: 240.565, 0.00293267/step Wall: 240.565, 0.00293267/step, 4.00685 hours remaining, 201.515625 MB of memory in use. ENERGY: 81400 744.2477 2040.3983 1969.1234 129.1703 -207035.1351 18392.9613 0.0000 0.0000 34393.5875 -149365.6466 300.3678 -183759.2341 -149268.3424 298.9815 240.4362 278.1897 557533.7545 -18.5316 -18.4616 PRESSURE: 81600 -25.5176 18.0928 -103.694 18.0929 371.365 10.4974 -103.695 10.496 202.715 GPRESSURE: 81600 36.0432 40.5092 -57.1515 33.5048 366.665 -65.164 -74.0298 45.6119 246.555 PRESSAVG: 81600 22.4424 -8.99448 16.8922 -8.99454 2.98978 -54.3468 16.8922 -54.3468 -15.2954 GPRESSAVG: 81600 22.0108 -8.39743 17.9745 -9.04038 3.58104 -55.8016 16.1588 -54.5581 -14.919 TIMING: 81600 CPU: 241.152, 0.00293261/step Wall: 241.152, 0.00293261/step, 4.00659 hours remaining, 201.515625 MB of memory in use. ENERGY: 81600 715.9311 2014.1735 1955.6113 100.9935 -206458.1105 18003.3355 0.0000 0.0000 34291.8968 -149376.1688 299.4797 -183668.0656 -149277.4837 299.2149 182.8542 216.4211 556989.7178 3.3789 3.5576 PRESSURE: 81800 -116.324 -93.6883 -184.855 -93.688 -43.2837 27.6779 -184.856 27.6795 -65.7796 GPRESSURE: 81800 -63.3955 -80.3414 -233.272 -142.847 -50.3618 -42.84 -198.016 95.9946 -24.8914 PRESSAVG: 81800 -5.74255 20.8263 14.4984 20.8263 65.7626 -89.435 14.4983 -89.4348 -26.5999 GPRESSAVG: 81800 -4.05708 21.1627 14.9747 20.8753 65.6369 -88.4717 13.9914 -90.1157 -28.3972 TIMING: 81800 CPU: 241.741, 0.00294848/step Wall: 241.741, 0.00294848/step, 4.02811 hours remaining, 201.515625 MB of memory in use. ENERGY: 81800 738.4478 2079.2579 1970.3558 115.7924 -206389.1819 17887.5405 0.0000 0.0000 34124.8312 -149472.9563 298.0206 -183597.7875 -149366.8426 298.2995 -75.1291 -46.2162 558282.5026 11.1401 11.0609 PRESSURE: 82000 82.5817 -121.525 97.4149 -121.526 138.462 -35.1603 97.415 -35.1611 319.074 GPRESSURE: 82000 54.4648 -162.691 122.229 -93.2617 200.835 -28.6159 48.163 11.0995 398.01 PRESSAVG: 82000 14.8938 -6.55148 -3.21988 -6.55153 -53.5929 -14.2363 -3.2199 -14.2362 43.7507 GPRESSAVG: 82000 12.9451 -6.52685 -4.04015 -7.87216 -53.8 -12.8325 -2.11924 -12.9382 46.0927 TIMING: 82000 CPU: 242.331, 0.00295071/step Wall: 242.331, 0.00295071/step, 4.031 hours remaining, 201.515625 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: 82000 717.4543 2076.7976 1957.9374 115.1752 -206526.2403 18251.9703 0.0000 0.0000 33970.3279 -149436.5776 296.6713 -183406.9055 -149338.9340 298.3681 180.0391 217.7700 557466.7590 1.6839 1.7459 PRESSURE: 82200 114.049 -53.3151 -79.0388 -53.3144 -222.061 -92.6361 -79.0382 -92.6363 -194.409 GPRESSURE: 82200 115.418 -73.9149 -51.106 13.0964 -123.803 -211.157 -47.6695 -18.0978 -184.858 PRESSAVG: 82200 59.2229 32.1078 -33.9656 32.1077 9.38489 33.9763 -33.9656 33.9762 -13.1135 GPRESSAVG: 82200 59.0813 31.2606 -34.6528 33.3178 9.8814 33.0472 -32.3494 35.0206 -13.3098 TIMING: 82200 CPU: 242.922, 0.00295087/step Wall: 242.922, 0.00295087/step, 4.03106 hours remaining, 201.515625 MB of memory in use. ENERGY: 82200 741.5714 2129.3961 1950.8334 112.2279 -206526.0143 17766.6167 0.0000 0.0000 34325.0205 -149500.3483 299.7689 -183825.3688 -149392.6203 298.4455 -100.8071 -64.4145 557235.0241 18.4981 18.5509 PRESSURE: 82400 184.655 -119.18 158.628 -119.178 182.361 -142.886 158.629 -142.888 353.487 GPRESSURE: 82400 206.091 -153.901 102.379 -16.019 230.81 -159.937 254.079 -131.713 369.029 PRESSAVG: 82400 7.01566 5.87948 42.5514 5.87947 22.5317 -1.5673 42.5515 -1.56743 -30.318 GPRESSAVG: 82400 8.06069 5.7903 42.1301 4.47004 21.6045 -2.86977 40.3869 -2.94329 -30.4565 TIMING: 82400 CPU: 243.51, 0.00294215/step Wall: 243.51, 0.00294215/step, 4.01898 hours remaining, 201.515625 MB of memory in use. ENERGY: 82400 706.2093 2116.5141 1928.9534 108.9409 -206325.7289 18037.3519 0.0000 0.0000 34147.0834 -149280.6758 298.2150 -183427.7592 -149179.4495 298.7939 240.1679 268.6435 557059.0900 -0.2569 -0.2638 PRESSURE: 82600 -35.6256 -4.21463 96.3759 -4.21553 -150.038 -45.1439 96.3758 -45.1425 172.029 GPRESSURE: 82600 -74.2861 18.4049 16.7208 41.7894 -63.3652 -42.1441 149.918 -30.8809 218.033 PRESSAVG: 82600 15.0414 27.424 35.4471 27.424 -10.1339 -30.5349 35.447 -30.5349 -9.13969 GPRESSAVG: 82600 14.5935 28.6026 36.9809 26.263 -9.79025 -29.8651 34.1589 -30.6267 -8.82972 TIMING: 82600 CPU: 244.101, 0.00295272/step Wall: 244.101, 0.00295272/step, 4.03324 hours remaining, 201.515625 MB of memory in use. ENERGY: 82600 745.1398 2091.9324 1939.9226 110.2325 -206106.2411 17857.6433 0.0000 0.0000 34150.6426 -149210.7280 298.2461 -183361.3706 -149118.2682 299.1061 -4.5449 26.7940 557572.5501 -1.4107 -1.3422 PRESSURE: 82800 33.7163 -31.26 164.847 -31.26 -108.674 15.7911 164.846 15.7913 52.2074 GPRESSURE: 82800 82.1371 -18.2032 160.156 -18.192 -156.015 86.428 171.517 -108.519 148.277 PRESSAVG: 82800 19 -7.18819 6.47182 -7.18829 4.25667 15.9419 6.4719 15.9418 -21.2097 GPRESSAVG: 82800 19.9784 -7.92511 5.15958 -5.21158 4.33321 17.0559 8.04265 15.3788 -22.8415 TIMING: 82800 CPU: 244.691, 0.00295247/step Wall: 244.691, 0.00295247/step, 4.03275 hours remaining, 201.515625 MB of memory in use. ENERGY: 82800 734.3117 2082.2771 1965.8677 115.8363 -205991.6179 17778.4006 0.0000 0.0000 34066.6226 -149248.3019 297.5123 -183314.9245 -149149.8899 298.5020 -7.5834 24.7995 557131.9619 0.6823 0.4900 PRESSURE: 83000 170.398 -177.115 -141.917 -177.117 -449.403 39.6197 -141.916 39.621 -67.6705 GPRESSURE: 83000 177.861 -169.635 -141.157 -169.657 -379.54 -85.3446 -104.207 145.585 -37.9322 PRESSAVG: 83000 42.4193 -4.78768 32.3566 -4.78773 -42.8387 -20.5414 32.3566 -20.5413 -10.2481 GPRESSAVG: 83000 42.1496 -5.93358 32.87 -4.41865 -42.7619 -21.935 29.6745 -20.1962 -9.55065 TIMING: 83000 CPU: 245.281, 0.00294835/step Wall: 245.281, 0.00294835/step, 4.02696 hours remaining, 201.515625 MB of memory in use. ENERGY: 83000 741.2119 2119.6534 1962.7293 109.8735 -205821.5864 17705.3512 0.0000 0.0000 33998.6005 -149184.1665 296.9182 -183182.7671 -149092.5155 298.5444 -115.5586 -79.8703 559304.0255 -3.5558 -3.3877 PRESSURE: 83200 -132.731 -181.934 -10.9773 -181.935 -47.4131 -34.5506 -10.9776 -34.5504 -7.33777 GPRESSURE: 83200 -71.3532 -90.387 99.5472 -208.628 30.4098 36.6362 -77.6753 -51.0582 -49.598 PRESSAVG: 83200 48.3367 22.6114 -16.5717 22.6114 -40.3789 27.4175 -16.5718 27.4175 15.4703 GPRESSAVG: 83200 48.5766 23.9109 -17.6648 22.211 -41.43 29.185 -15.4405 28.1 15.8612 TIMING: 83200 CPU: 245.872, 0.00295676/step Wall: 245.872, 0.00295676/step, 4.03828 hours remaining, 201.515625 MB of memory in use. ENERGY: 83200 779.8559 2081.2770 1968.1054 117.0336 -205805.6949 17675.9410 0.0000 0.0000 34223.4039 -148960.0781 298.8815 -183183.4820 -148861.3270 299.2403 -62.4940 -30.1805 559874.0249 7.8094 7.6693 PRESSURE: 83400 -82.5313 85.9455 84.4313 85.9453 177.198 -145.128 84.4327 -145.129 65.006 GPRESSURE: 83400 -43.1494 22.0907 57.1306 31.6223 187.963 -115.563 48.3021 -199.946 110.267 PRESSAVG: 83400 19.4473 1.85647 -23.8103 1.85637 -38.0834 -46.5941 -23.8102 -46.5941 -17.8313 GPRESSAVG: 83400 19.9069 -0.736759 -24.1746 2.95761 -38.2676 -46.8025 -21.9397 -45.5733 -17.9527 TIMING: 83400 CPU: 246.462, 0.0029497/step Wall: 246.462, 0.0029497/step, 4.02847 hours remaining, 201.515625 MB of memory in use. ENERGY: 83400 750.0554 2176.6343 1962.9381 117.5256 -206305.0100 17973.9162 0.0000 0.0000 34407.3741 -148916.5663 300.4882 -183323.9403 -148818.1800 300.0353 53.2241 85.0270 558478.7550 -12.1558 -12.1045 PRESSURE: 83600 63.2398 45.1774 -23.5393 45.177 67.4284 116.148 -23.54 116.147 -29.1867 GPRESSURE: 83600 88.4158 -11.4725 -7.55022 -36.5087 59.3118 -17.1162 60.5414 58.9803 44.8369 PRESSAVG: 83600 43.2498 -27.2286 -9.30136 -27.2287 -0.786016 43.072 -9.3014 43.0719 20.5935 GPRESSAVG: 83600 42.3941 -24.389 -8.44645 -29.0305 -0.990257 40.8068 -11.2278 42.5672 21.5119 TIMING: 83600 CPU: 247.05, 0.00293766/step Wall: 247.05, 0.00293766/step, 4.01187 hours remaining, 201.515625 MB of memory in use. ENERGY: 83600 716.7981 2064.6654 1950.2784 123.4553 -206027.4738 17821.4209 0.0000 0.0000 34231.4490 -149119.4067 298.9518 -183350.8557 -149029.1493 300.3218 33.8272 64.1882 558640.4513 21.0191 20.9719 PRESSURE: 83800 -135.659 93.3462 -201.041 93.3464 286.585 -63.1574 -201.041 -63.158 18.4917 GPRESSURE: 83800 -129.508 67.2613 -133.245 63.6478 296.195 -69.8892 -221.174 33.5481 91.9111 PRESSAVG: 83800 7.29186 -32.8089 11.5097 -32.8089 -59.3125 11.5144 11.5098 11.5144 5.99195 GPRESSAVG: 83800 7.45802 -32.9152 11.8854 -34.0128 -59.3767 14.2787 10.6124 11.346 5.62006 TIMING: 83800 CPU: 247.635, 0.00292892/step Wall: 247.635, 0.00292892/step, 3.99977 hours remaining, 201.515625 MB of memory in use. ENERGY: 83800 730.7192 2115.5576 1944.5880 117.0320 -206294.5959 18099.8001 0.0000 0.0000 34144.0363 -149142.8626 298.1884 -183286.8990 -149051.0270 299.5532 56.4728 86.1993 558502.6188 -15.3429 -15.4329 PRESSURE: 84000 -90.2747 -65.2625 -56.9508 -65.2626 305.131 -72.8226 -56.95 -72.8202 55.5717 GPRESSURE: 84000 27.8857 -105.637 -105.749 -62.5643 260.572 -34.6535 -44.4644 -49.8099 81.0748 PRESSAVG: 84000 22.5558 -10.7177 -30.4097 -10.7176 -25.7215 1.85003 -30.4097 1.85006 27.9925 GPRESSAVG: 84000 23.9588 -11.3793 -31.5041 -9.00273 -26.2196 1.23133 -29.0617 0.82991 26.9727 TIMING: 84000 CPU: 248.22, 0.0029237/step Wall: 248.22, 0.0029237/step, 3.99248 hours remaining, 201.515625 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: 84000 710.8064 2089.8384 1964.1640 102.3916 -206294.9108 17826.8378 0.0000 0.0000 34478.9132 -149121.9593 301.1129 -183600.8726 -149023.4570 299.5734 90.1425 123.1775 557625.2620 8.2756 8.2373 PRESSURE: 84200 -142.533 86.8681 132.855 86.8694 -161.468 -17.442 132.854 -17.4431 128.148 GPRESSURE: 84200 -11.495 113.794 81.5774 69.3381 -113.065 -13.6404 31.7216 -40.2499 45.7049 PRESSAVG: 84200 -3.10935 -18.4453 31.5724 -18.4453 29.5275 26.4353 31.5724 26.4352 -34.9186 GPRESSAVG: 84200 -3.71777 -17.4596 33.7692 -18.9777 30.3322 26.8051 31.3062 25.6183 -34.5541 TIMING: 84200 CPU: 248.811, 0.00295508/step Wall: 248.811, 0.00295508/step, 4.03516 hours remaining, 201.515625 MB of memory in use. ENERGY: 84200 780.6719 2104.1205 1969.9460 119.2162 -205983.7038 17843.3504 0.0000 0.0000 34095.0013 -149071.3975 297.7601 -183166.3988 -148981.9217 299.6023 -58.6178 -26.2850 559929.4407 -2.8335 -2.6466 LDB: ============= START OF LOAD BALANCING ============== 252.234 LDB: ============== END OF LOAD BALANCING =============== 252.234 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 252.236 LDB: ============= START OF LOAD BALANCING ============== 252.53 LDB: Largest compute 4848 load 0.026179 is 22.3% of average load 0.117614 LDB: Average compute 0.001729 is 1.5% of average load 0.117614 LDB: TIME 252.533 LOAD: AVG 0.117614 MAX 0.194835 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.688 MB LDB: TIME 252.533 LOAD: AVG 0.117614 MAX 0.194835 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.891 MB LDB: TIME 252.533 LOAD: AVG 0.117614 MAX 0.194835 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.891 MB LDB: ============== END OF LOAD BALANCING =============== 252.535 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 252.539 PRESSURE: 84400 228.662 108.495 49.3666 108.496 -69.5867 163.755 49.3677 163.754 32.0784 GPRESSURE: 84400 252.108 159.265 121.152 102.333 2.02981 153.433 -13.1787 200.846 23.5857 PRESSAVG: 84400 16.5247 36.2692 83.3415 36.2693 -51.0449 20.3654 83.3415 20.3653 44.4904 GPRESSAVG: 84400 15.0752 34.9313 83.9256 36.0755 -50.2949 19.54 80.9366 21.6262 45.2238 TIMING: 84400 CPU: 249.41, 0.00299219/step Wall: 249.41, 0.00299219/step, 4.08566 hours remaining, 198.578125 MB of memory in use. ENERGY: 84400 709.6028 2126.5187 1970.8640 118.7204 -206063.9472 17880.0067 0.0000 0.0000 34129.2531 -149128.9815 298.0593 -183258.2346 -149033.9865 299.8983 63.7181 92.5745 557541.0491 3.3234 3.3347 PRESSURE: 84600 90.5776 -117.368 183.939 -117.369 -33.2463 -21.2637 183.937 -21.2623 -201.668 GPRESSURE: 84600 115.564 -81.2307 149.734 -72.3278 -57.0876 -67.4353 178.441 -51.5519 -107.048 PRESSAVG: 84600 -20.8753 -11.5609 19.8221 -11.5609 15.5559 35.9144 19.8221 35.9146 65.6994 GPRESSAVG: 84600 -18.7908 -10.0691 18.2676 -12.1271 13.9154 34.983 23.2074 36.0027 64.5489 TIMING: 84600 CPU: 249.998, 0.0029409/step Wall: 249.998, 0.0029409/step, 4.01547 hours remaining, 198.578125 MB of memory in use. ENERGY: 84600 779.6713 2035.2764 1963.1629 121.4388 -206366.6953 17982.9463 0.0000 0.0000 34312.3491 -149171.8505 299.6583 -183484.1996 -149075.5075 299.0542 -48.1123 -16.1904 557344.4060 20.1267 19.8911 PRESSURE: 84800 8.47419 -93.8829 -192.203 -93.8841 183.064 -76.7651 -192.202 -76.7644 129.526 GPRESSURE: 84800 71.5797 -176.43 -135.102 -18.2451 245.838 -123.797 -169.184 -79.7069 102.774 PRESSAVG: 84800 10.2144 -20.9947 27.4726 -20.9947 -15.2195 -11.3914 27.4727 -11.3916 -3.39246 GPRESSAVG: 84800 9.3028 -24.0839 29.4119 -18.9162 -14.1999 -11.2045 24.5074 -11.839 -3.85365 TIMING: 84800 CPU: 250.587, 0.00294859/step Wall: 250.587, 0.00294859/step, 4.02581 hours remaining, 198.578125 MB of memory in use. ENERGY: 84800 732.7542 2088.6854 1928.0745 108.9232 -206293.8919 17997.2145 0.0000 0.0000 34324.2939 -149113.9462 299.7626 -183438.2401 -149020.9912 299.5838 107.0213 140.0639 556461.2657 -2.7992 -2.9169 PRESSURE: 85000 198.156 -139.858 -73.2122 -139.856 -46.6259 3.04026 -73.2121 3.04092 105.745 GPRESSURE: 85000 226.253 -56.8411 -150.715 -218.419 -44.5492 20.1546 36.758 -59.1542 172.014 PRESSAVG: 85000 67.0863 -19.4355 -29.4603 -19.4355 -83.9737 -2.88859 -29.4604 -2.88871 20.8511 GPRESSAVG: 85000 66.5685 -17.8179 -30.9771 -20.0506 -83.7282 -2.88348 -26.2338 -0.872326 21.8169 TIMING: 85000 CPU: 251.185, 0.00298884/step Wall: 251.185, 0.00298884/step, 4.0806 hours remaining, 198.578125 MB of memory in use. ENERGY: 85000 707.2433 2095.9714 1952.8112 114.6091 -206043.6534 17739.6991 0.0000 0.0000 34212.8000 -149220.5194 298.7889 -183433.3194 -149125.1078 299.7843 85.7583 117.9059 557928.5591 1.3212 1.5524 PRESSURE: 85200 -173.851 36.9204 -46.3029 36.9199 -73.8404 -9.02133 -46.3031 -9.02122 33.1227 GPRESSURE: 85200 -72.0297 29.0957 -12.4937 60.3161 -64.656 -27.9256 -75.5126 -8.41731 29.431 PRESSAVG: 85200 27.6601 21.5145 -56.3929 21.5146 -77.8513 -8.413 -56.3928 -8.41311 31.0205 GPRESSAVG: 85200 28.8786 22.3065 -56.3283 21.5185 -78.3621 -8.98435 -59.0905 -8.06529 29.6758 TIMING: 85200 CPU: 251.778, 0.00296359/step Wall: 251.778, 0.00296359/step, 4.04596 hours remaining, 198.578125 MB of memory in use. ENERGY: 85200 720.4071 2151.5560 1943.1500 108.3422 -206179.8963 17762.3085 0.0000 0.0000 34313.3179 -149180.8144 299.6667 -183494.1323 -149082.6038 299.6686 -71.5229 -35.7516 558307.3879 -6.3902 -6.6025 PRESSURE: 85400 -255.049 -124.371 209.426 -124.37 -245.961 91.5967 209.425 91.5976 -273.514 GPRESSURE: 85400 -200.215 -77.0652 274.146 -106.286 -241.837 95.5795 259.093 125.025 -234.552 PRESSAVG: 85400 -14.7628 2.6245 43.5932 2.62445 0.776826 54.6965 43.5932 54.6965 51.5593 GPRESSAVG: 85400 -15.1087 1.86824 43.1562 3.34859 0.653569 55.4937 45.7158 53.9077 52.4382 TIMING: 85400 CPU: 252.371, 0.00296406/step Wall: 252.371, 0.00296406/step, 4.04644 hours remaining, 198.578125 MB of memory in use. ENERGY: 85400 785.2523 2070.0777 1978.4013 124.2912 -206179.3136 17550.9111 0.0000 0.0000 34519.4396 -149150.9405 301.4669 -183670.3801 -149044.0781 299.8908 -258.1747 -225.5346 557854.1887 12.5244 12.6610 PRESSURE: 85600 274.732 13.1777 20.5538 13.1779 289.225 -117.815 20.5553 -117.814 28.5504 GPRESSURE: 85600 293.25 35.6202 -0.940526 22.2614 305.204 -86.2923 57.0648 -155.337 86.0787 PRESSAVG: 85600 -10.559 10.8791 -37.2399 10.8792 -28.8851 56.537 -37.2398 56.537 28.3358 GPRESSAVG: 85600 -10.9539 11.0749 -38.7127 11.341 -27.4007 56.6418 -36.5096 54.6888 27.674 TIMING: 85600 CPU: 252.962, 0.00295686/step Wall: 252.962, 0.00295686/step, 4.03644 hours remaining, 198.578125 MB of memory in use. ENERGY: 85600 723.7806 2036.8438 1976.9946 110.1657 -206511.9799 18115.9573 0.0000 0.0000 34210.1025 -149338.1354 298.7653 -183548.2379 -149240.4539 299.7009 197.5025 228.1775 556153.4091 -3.7027 -3.5602 PRESSURE: 85800 28.2151 11.9628 -167.776 11.9614 -171.649 139.119 -167.777 139.122 -310.883 GPRESSURE: 85800 57.9197 -41.47 -180.8 0.94298 -122.44 110.008 -176.598 94.5052 -302.563 PRESSAVG: 85800 47.5492 -69.5467 -19.5184 -69.5467 -36.6952 -13.1304 -19.5184 -13.1305 -22.8019 GPRESSAVG: 85800 47.3197 -68.0779 -18.4846 -71.5436 -37.7245 -13.5269 -20.7743 -12.052 -21.3073 TIMING: 85800 CPU: 253.555, 0.00296631/step Wall: 253.555, 0.00296631/step, 4.04918 hours remaining, 198.578125 MB of memory in use. ENERGY: 85800 742.8209 2077.8619 1948.4437 115.2842 -205879.1995 17503.2953 0.0000 0.0000 34178.0487 -149313.4447 298.4854 -183491.4934 -149222.7648 299.5821 -151.4386 -122.3610 556714.6483 -3.9826 -3.9040 PRESSURE: 86000 154.507 -126.205 81.1118 -126.204 156.575 29.2519 81.1125 29.2513 88.1827 GPRESSURE: 86000 167.575 -128.293 99.6456 -47.3905 194.389 -31.3596 96.8551 9.89496 141.007 PRESSAVG: 86000 -13.1911 24.0476 6.1905 24.0477 17.4573 2.59917 6.19051 2.59906 32.3129 GPRESSAVG: 86000 -13.5219 23.7908 5.95071 24.6276 17.7792 2.87472 6.7164 3.52427 31.3668 TIMING: 86000 CPU: 254.147, 0.00295897/step Wall: 254.147, 0.00295897/step, 4.03899 hours remaining, 198.578125 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: 86000 749.2735 2116.8325 1939.6784 113.9300 -206528.5136 17944.6498 0.0000 0.0000 34324.7918 -149339.3576 299.7669 -183664.1494 -149247.1505 298.8911 133.0885 167.6570 553523.7583 12.1931 11.8747 PRESSURE: 86200 -70.812 36.6985 206.534 36.6988 163.511 59.8341 206.533 59.8337 27.5816 GPRESSURE: 86200 -31.9257 69.4822 313.955 36.1004 172.463 -29.3485 154.456 42.3177 76.6833 PRESSAVG: 86200 18.7956 34.0691 52.8307 34.0691 -27.0627 15.5142 52.8307 15.5143 11.8698 GPRESSAVG: 86200 19.5558 34.5013 53.9464 34.298 -28.0845 15.8792 52.4804 14.0097 12.0505 TIMING: 86200 CPU: 254.742, 0.00297609/step Wall: 254.742, 0.00297609/step, 4.0622 hours remaining, 198.578125 MB of memory in use. ENERGY: 86200 716.0892 2103.7343 1954.5952 112.6796 -206111.3984 17735.9701 0.0000 0.0000 34320.4822 -149167.8478 299.7293 -183488.3300 -149072.5522 300.2247 40.0935 72.4068 555577.4826 1.2009 1.1739 PRESSURE: 86400 38.3112 -244.309 -132.681 -244.309 -138.47 94.2373 -132.679 94.2374 -55.042 GPRESSURE: 86400 49.7704 -290.089 -161.169 -201.365 -130.357 -21.7365 -122.572 88.4497 21.6463 PRESSAVG: 86400 6.66695 40.6846 63.9751 40.6846 16.7307 16.4726 63.9751 16.4727 -3.94749 GPRESSAVG: 86400 6.8028 39.066 65.0729 39.612 16.7152 16.0477 63.3767 16.8617 -3.70529 TIMING: 86400 CPU: 255.337, 0.00297212/step Wall: 255.337, 0.00297212/step, 4.05661 hours remaining, 198.578125 MB of memory in use. ENERGY: 86400 773.7896 2080.3283 1949.5866 116.8679 -206135.6238 17614.1188 0.0000 0.0000 34368.0952 -149232.8373 300.1451 -183600.9326 -149135.4247 299.5365 -51.7338 -19.6468 555512.3165 6.4834 6.6042 PRESSURE: 86600 45.0793 42.925 14.2384 42.9241 -116.567 160.411 14.2388 160.412 100.424 GPRESSURE: 86600 82.2494 18.0848 0.248991 49.3482 -79.7749 141.753 -3.49739 139.805 133.878 PRESSAVG: 86600 7.97949 -36.1829 -3.92548 -36.183 22.3708 4.32858 -3.92551 4.32855 -19.7449 GPRESSAVG: 86600 6.91729 -36.8121 -5.85664 -34.1348 23.3415 4.24865 -3.36555 4.29683 -19.2698 TIMING: 86600 CPU: 255.93, 0.00296543/step Wall: 255.93, 0.00296543/step, 4.04731 hours remaining, 198.703125 MB of memory in use. ENERGY: 86600 759.7939 2099.1958 1945.2089 107.4509 -206128.6625 17720.9700 0.0000 0.0000 34405.4209 -149090.6223 300.4711 -183496.0432 -148997.2739 299.7904 9.6453 45.4510 555894.3177 3.5351 3.6630 PRESSURE: 86800 66.8155 -14.4269 102.357 -14.4279 -45.6258 -7.56097 102.358 -7.56154 -18.6323 GPRESSURE: 86800 134.636 -102.378 104.766 49.2063 -19.2438 4.06964 102.069 -129.305 -18.2538 PRESSAVG: 86800 2.96568 -17.5292 6.1759 -17.5292 40.3852 11.0004 6.17585 11.0003 -1.98037 GPRESSAVG: 86800 3.73514 -17.3264 5.99227 -18.1746 40.9418 9.65868 6.39783 12.9572 -3.02425 TIMING: 86800 CPU: 256.527, 0.00298661/step Wall: 256.527, 0.00298661/step, 4.07606 hours remaining, 198.703125 MB of memory in use. ENERGY: 86800 765.9430 2129.7578 1942.1221 112.5140 -206659.0812 17869.1633 0.0000 0.0000 34570.6821 -149268.8990 301.9144 -183839.5810 -149173.6561 299.7975 0.8525 32.3794 555249.3647 13.7902 13.8842 PRESSURE: 87000 -227.933 -174.462 -69.4748 -174.461 64.2725 61.9193 -69.4758 61.9179 -115.511 GPRESSURE: 87000 -129.013 -135.034 1.21825 -181.313 57.6486 0.577076 -104.337 79.5196 -113.752 PRESSAVG: 87000 -40.8627 -30.4344 -16.2436 -30.4344 -0.238225 -20.9763 -16.2436 -20.9765 17.9185 GPRESSAVG: 87000 -40.0814 -29.3562 -16.8855 -32.5716 -0.246887 -19.585 -15.8354 -21.8029 16.7482 TIMING: 87000 CPU: 257.12, 0.00296194/step Wall: 257.12, 0.00296194/step, 4.04223 hours remaining, 198.703125 MB of memory in use. ENERGY: 87000 739.1239 2102.1703 1978.9389 113.2979 -206053.5526 17485.8171 0.0000 0.0000 34329.9852 -149304.2193 299.8123 -183634.2045 -149206.7654 299.3659 -93.0573 -61.7055 557586.0516 -7.7275 -7.8600 PRESSURE: 87200 49.5034 -166.823 -13.3516 -166.824 374.32 80.5024 -13.3506 80.5037 -46.6643 GPRESSURE: 87200 129.784 -134.936 -28.4402 -243.286 369.56 -29.7968 -38.2117 208.742 -30.4899 PRESSAVG: 87200 -8.05779 -4.30805 -0.312753 -4.30804 9.05132 -0.515298 -0.312691 -0.515152 -30.9011 GPRESSAVG: 87200 -9.64926 -5.10039 -0.296357 -5.37213 9.63562 -2.35256 -0.692591 1.68323 -29.543 TIMING: 87200 CPU: 257.71, 0.00295019/step Wall: 257.71, 0.00295019/step, 4.02603 hours remaining, 198.703125 MB of memory in use. ENERGY: 87200 757.9963 2089.7160 1982.1816 115.6658 -206527.7631 18073.8043 0.0000 0.0000 34404.1686 -149104.2306 300.4602 -183508.3992 -149006.8196 299.2745 125.7196 156.2847 557251.0352 -9.9692 -9.8522 PRESSURE: 87400 -75.857 -144.784 125.57 -144.782 -246.97 43.1221 125.57 43.1231 24.827 GPRESSURE: 87400 -48.8475 -103.129 181.005 -195.756 -192.506 47.084 128.725 79.2597 42.732 PRESSAVG: 87400 22.5305 -53.8214 49.6619 -53.8215 -4.67751 -5.38054 49.6619 -5.38048 18.0289 GPRESSAVG: 87400 22.9172 -55.5397 48.315 -51.3813 -6.15641 -3.77585 50.2545 -7.73477 18.6635 TIMING: 87400 CPU: 258.302, 0.00296121/step Wall: 258.302, 0.00296121/step, 4.04089 hours remaining, 198.703125 MB of memory in use. ENERGY: 87400 731.6669 2157.6597 1961.1477 117.2463 -206036.7933 17556.0592 0.0000 0.0000 34256.0439 -149256.9695 299.1666 -183513.0134 -149163.3386 299.5457 -99.3334 -66.2070 558578.0421 11.9606 11.8081 PRESSURE: 87600 -113.593 -108.432 -33.8761 -108.432 -48.0166 -76.032 -33.8767 -76.0321 -139.561 GPRESSURE: 87600 -65.0489 -50.5925 -23.1383 -134.982 -56.6489 -58.3337 -81.4835 -137.186 -83.8447 PRESSAVG: 87600 42.5183 -15.7499 53.0387 -15.7498 -31.4029 -42.7947 53.0387 -42.7947 -28.9669 GPRESSAVG: 87600 43.7715 -16.5014 56.552 -13.4398 -31.403 -46.588 50.8312 -41.4849 -29.818 TIMING: 87600 CPU: 258.891, 0.00294798/step Wall: 258.891, 0.00294798/step, 4.02268 hours remaining, 198.703125 MB of memory in use. ENERGY: 87600 778.4705 2126.3506 1938.4836 113.0403 -206099.5622 17668.6272 0.0000 0.0000 34308.4090 -149166.1809 299.6239 -183474.5899 -149067.0169 299.6713 -100.3900 -68.5142 557716.1228 -5.9505 -5.8165 PRESSURE: 87800 -7.44778 -63.5475 -157.202 -63.5473 -141.956 117.969 -157.202 117.969 164.655 GPRESSURE: 87800 -17.2025 -146.819 -164.388 -86.5789 -42.4525 129.629 -150.171 147.927 171.023 PRESSAVG: 87800 4.09656 -17.0428 28.0208 -17.0428 -29.2866 25.7546 28.0207 25.7547 55.1729 GPRESSAVG: 87800 3.74209 -16.2847 27.1207 -18.6339 -28.6609 29.4558 29.3614 23.1623 54.9092 TIMING: 87800 CPU: 259.482, 0.00295028/step Wall: 259.482, 0.00295028/step, 4.02565 hours remaining, 198.703125 MB of memory in use. ENERGY: 87800 763.0020 2168.6639 1978.1653 108.3627 -206223.3216 17841.9866 0.0000 0.0000 34307.6554 -149055.4857 299.6173 -183363.1411 -148958.0398 299.8819 5.0836 37.1228 557127.1776 9.9943 9.9968 PRESSURE: 88000 -135.105 -9.05245 -3.05766 -9.05026 -6.77226 120.407 -3.05878 120.407 -40.5191 GPRESSURE: 88000 -88.8185 -44.2448 -43.4154 55.2524 27.7412 45.4225 19.4386 128.615 -20.0176 PRESSAVG: 88000 78.6855 -30.3509 -1.1592 -30.3508 -75.0428 4.245 -1.1592 4.24482 -36.189 GPRESSAVG: 88000 78.5422 -27.8207 -2.11022 -30.6556 -75.0813 3.59284 -0.847009 3.7985 -36.3196 TIMING: 88000 CPU: 260.07, 0.00294413/step Wall: 260.07, 0.00294413/step, 4.0171 hours remaining, 198.703125 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: 88000 749.3901 2141.4958 1981.0127 106.0200 -206278.1973 17849.8281 0.0000 0.0000 34311.3057 -149139.1449 299.6492 -183450.4506 -149039.2299 299.5983 -60.7987 -27.0316 557033.1343 -10.8488 -10.9529 PRESSURE: 88200 83.1423 -86.6348 11.8626 -86.6357 -92.3839 160.307 11.8626 160.307 61.0468 GPRESSURE: 88200 99.6132 -25.2042 18.5569 -179.055 -19.5447 106.65 69.8781 82.348 72.2489 PRESSAVG: 88200 -15.2037 18.3154 -65.6012 18.3155 -8.07483 -8.92107 -65.6012 -8.92111 46.053 GPRESSAVG: 88200 -14.9661 16.5626 -65.662 18.9448 -8.1256 -9.13282 -66.4081 -7.70442 46.2513 TIMING: 88200 CPU: 260.658, 0.0029371/step Wall: 260.658, 0.0029371/step, 4.00735 hours remaining, 198.703125 MB of memory in use. ENERGY: 88200 717.7960 2124.7329 1934.6382 117.8033 -206368.0501 17948.8611 0.0000 0.0000 34403.9900 -149120.2286 300.4586 -183524.2186 -149023.6732 299.6534 17.2684 50.7725 557578.2954 7.5915 7.7199 LDB: ============= START OF LOAD BALANCING ============== 264.08 LDB: ============== END OF LOAD BALANCING =============== 264.081 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 264.082 LDB: ============= START OF LOAD BALANCING ============== 264.376 LDB: Largest compute 4848 load 0.024947 is 21.2% of average load 0.117680 LDB: Average compute 0.001724 is 1.5% of average load 0.117680 LDB: TIME 264.378 LOAD: AVG 0.11768 MAX 0.194391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.727 MB LDB: TIME 264.378 LOAD: AVG 0.11768 MAX 0.194391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.727 MB LDB: TIME 264.379 LOAD: AVG 0.11768 MAX 0.194391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.727 MB LDB: ============== END OF LOAD BALANCING =============== 264.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 264.384 PRESSURE: 88400 210.926 214.736 -36.654 214.736 184.448 66.6497 -36.653 66.6504 51.9508 GPRESSURE: 88400 255.075 245.096 41.0231 120.54 175.288 -51.3912 -30.4229 105.951 89.4426 PRESSAVG: 88400 -6.48757 -5.17882 -10.0034 -5.1788 -3.66839 14.0435 -10.0034 14.0436 7.81344 GPRESSAVG: 88400 -7.49698 -3.18903 -9.93831 -5.55484 -3.85053 11.8812 -10.7819 16.4291 8.07383 TIMING: 88400 CPU: 261.255, 0.00298453/step Wall: 261.255, 0.00298453/step, 4.07189 hours remaining, 199.472656 MB of memory in use. ENERGY: 88400 795.1696 2099.4875 1945.0250 112.8597 -206329.3337 18071.8952 0.0000 0.0000 34362.8349 -148942.0618 300.0992 -183304.8967 -148845.8899 300.5475 149.1083 173.2686 557016.3493 -0.7808 -1.0912 PRESSURE: 88600 95.3952 120.584 88.9642 120.584 -89.4276 -68.6862 88.9639 -68.6868 -95.4545 GPRESSURE: 88600 98.4363 143.089 110.5 113.475 16.2721 -61.6557 142.342 12.4791 -97.8959 PRESSAVG: 88600 11.1447 5.98536 35.1294 5.98536 67.494 -4.29583 35.1293 -4.29583 -47.6925 GPRESSAVG: 88600 11.7239 5.16993 35.6248 7.48307 67.972 -1.73263 35.9474 -7.24104 -48.1467 TIMING: 88600 CPU: 261.839, 0.00292065/step Wall: 261.839, 0.00292065/step, 3.98458 hours remaining, 199.675781 MB of memory in use. ENERGY: 88600 773.0575 2062.5685 1937.3425 128.0002 -205941.3502 17678.2338 0.0000 0.0000 34404.8245 -148957.3233 300.4659 -183362.1478 -148862.6358 300.3960 -29.8290 5.6041 557486.7999 10.3154 10.5164 PRESSURE: 88800 141.549 -58.7035 -60.6392 -58.7026 138.978 74.3506 -60.6389 74.3509 75.7015 GPRESSURE: 88800 155.057 -92.8336 -26.575 19.8974 172.677 138.873 -107.188 68.115 116.278 PRESSAVG: 88800 -3.22883 62.0481 -52.1565 62.0482 11.0154 7.08913 -52.1564 7.08912 -2.80688 GPRESSAVG: 88800 -3.34925 62.1967 -52.1918 61.1635 11.7 6.35222 -51.9673 8.6866 -2.65406 TIMING: 88800 CPU: 262.426, 0.00293756/step Wall: 262.426, 0.00293756/step, 4.00748 hours remaining, 199.675781 MB of memory in use. ENERGY: 88800 748.7212 2041.7113 1936.6045 117.8363 -206049.0469 17973.3860 0.0000 0.0000 34264.8724 -148965.9153 299.2437 -183230.7876 -148868.2056 300.0184 118.7429 148.0039 557262.6655 1.6599 1.8989 PRESSURE: 89000 -123.697 83.1869 53.2541 83.1866 11.0654 -234.412 53.2544 -234.41 -192.156 GPRESSURE: 89000 -65.4876 -9.12449 163.756 109.667 -9.10136 -125.5 -58.1414 -257.716 -135.957 PRESSAVG: 89000 49.4132 -9.8842 -34.1872 -9.88426 -4.47617 -28.2254 -34.1871 -28.2253 -79.3679 GPRESSAVG: 89000 48.9277 -11.6506 -34.728 -10.0103 -4.65468 -28.2593 -33.3478 -29.7897 -78.6256 TIMING: 89000 CPU: 263.016, 0.00294712/step Wall: 263.016, 0.00294712/step, 4.02036 hours remaining, 199.675781 MB of memory in use. ENERGY: 89000 732.8258 2097.0637 1939.7171 118.2308 -206156.1979 17944.7398 0.0000 0.0000 34337.0050 -148986.6156 299.8736 -183323.6207 -148889.3526 299.2759 -101.5959 -70.1819 558562.8646 -11.4769 -11.4508 PRESSURE: 89200 -415.936 8.5376 25.3568 8.53731 -86.4522 -133.901 25.3559 -133.9 8.41889 GPRESSURE: 89200 -352.879 32.5898 -3.19745 -122.529 -44.9573 -112.43 -0.638683 -182.813 17.0074 PRESSAVG: 89200 -4.51941 -37.8188 18.7391 -37.8189 59.2452 0.575771 18.7391 0.575796 -81.3339 GPRESSAVG: 89200 -4.15984 -36.864 18.4628 -39.5336 58.2683 1.02197 16.7515 1.96933 -80.6781 TIMING: 89200 CPU: 263.604, 0.00294162/step Wall: 263.604, 0.00294162/step, 4.0127 hours remaining, 199.675781 MB of memory in use. ENERGY: 89200 752.4812 2116.2742 1924.9619 107.6846 -205627.6865 17521.4516 0.0000 0.0000 34346.2595 -148858.5736 299.9544 -183204.8331 -148758.0891 300.1416 -164.6563 -126.9431 559243.0764 -8.8694 -8.8565 PRESSURE: 89400 -43.9577 -96.9295 115.27 -96.9298 -17.8457 -264.661 115.272 -264.662 108.092 GPRESSURE: 89400 -32.8659 -57.3017 111.388 -97.6064 -43.6966 -230.639 44.3793 -230.832 215.007 PRESSAVG: 89400 2.49452 20.6238 -21.0365 20.6238 -8.77472 -13.5037 -21.0366 -13.5037 5.81511 GPRESSAVG: 89400 1.77646 19.4942 -21.9307 21.1699 -8.42897 -13.5465 -18.8062 -13.5271 5.93144 TIMING: 89400 CPU: 264.192, 0.00293911/step Wall: 264.192, 0.00293912/step, 4.00912 hours remaining, 199.675781 MB of memory in use. ENERGY: 89400 729.2279 2119.1670 1964.8055 109.0624 -206306.3062 17952.4642 0.0000 0.0000 34476.9246 -148954.6545 301.0956 -183431.5792 -148857.9747 300.5014 15.4295 46.1482 558437.6885 -0.1550 -0.2404 PRESSURE: 89600 -118.427 -117.589 -130.748 -117.588 -152.826 62.3829 -130.747 62.3817 123.837 GPRESSURE: 89600 -76.3825 -97.3583 -128.654 -164.965 -86.5159 33.9451 -203.211 148.376 122.22 PRESSAVG: 89600 36.9328 -13.1962 -5.60263 -13.1961 -25.7988 75.2641 -5.60261 75.2642 -15.28 GPRESSAVG: 89600 37.7726 -12.491 -5.96115 -12.8021 -26.1097 74.5599 -5.66869 73.9911 -15.6085 TIMING: 89600 CPU: 264.776, 0.00291813/step Wall: 264.776, 0.00291813/step, 3.98032 hours remaining, 199.675781 MB of memory in use. ENERGY: 89600 742.8748 2056.6706 1965.5790 111.3824 -205891.2568 17599.2336 0.0000 0.0000 34586.8923 -148828.6241 302.0559 -183415.5164 -148729.4496 300.7451 -49.1386 -13.5593 557899.5863 -1.3820 -1.3152 PRESSURE: 89800 -66.5125 -41.5031 24.6251 -41.5027 -138.449 -15.1992 24.6245 -15.1998 -53.1386 GPRESSURE: 89800 -40.934 -45.4212 92.2852 -98.1851 -146.386 20.0694 53.7492 22.2227 25.1194 PRESSAVG: 89800 -8.46241 -26.1794 -59.4407 -26.1794 -2.86149 -55.8866 -59.4406 -55.8867 24.7008 GPRESSAVG: 89800 -8.32775 -26.8714 -57.3511 -24.6447 -2.81227 -55.6114 -58.7864 -52.8944 24.3393 TIMING: 89800 CPU: 265.362, 0.00293017/step Wall: 265.362, 0.00293016/step, 3.99658 hours remaining, 199.675781 MB of memory in use. ENERGY: 89800 723.9834 2132.8775 1959.7471 110.4518 -205533.8210 17595.4986 0.0000 0.0000 34198.0777 -148813.1849 298.6603 -183011.2625 -148708.6147 299.8552 -86.0335 -54.0668 559499.2839 4.4590 4.3998 PRESSURE: 90000 98.6554 35.2016 53.9934 35.2011 -55.6429 74.0379 53.9942 74.0384 75.513 GPRESSURE: 90000 122.015 0.669467 12.0858 133.393 11.7089 57.8337 62.4588 77.6121 76.136 PRESSAVG: 90000 11.252 -3.92995 -23.7618 -3.92998 -38.138 38.6358 -23.7618 38.6357 -17.591 GPRESSAVG: 90000 10.3908 -3.29384 -22.8194 -4.79898 -36.5818 37.5612 -24.0495 37.3092 -18.8038 TIMING: 90000 CPU: 265.948, 0.00292977/step Wall: 265.948, 0.00292977/step, 3.99588 hours remaining, 199.675781 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: 90000 707.0012 2136.7505 1949.7528 103.1497 -205959.2574 17746.0310 0.0000 0.0000 34523.8511 -148792.7211 301.5054 -183316.5722 -148697.7531 299.9733 39.5085 69.9533 558358.4228 -14.8257 -14.9982 PRESSURE: 90200 -289.904 17.7996 60.219 17.8003 5.20168 -73.0278 60.2201 -73.0291 -193.491 GPRESSURE: 90200 -216.328 -39.472 9.98898 52.7007 1.52299 -101.264 87.0966 -10.8777 -179.066 PRESSAVG: 90200 14.2295 34.0626 -4.48664 34.0626 -55.0255 48.016 -4.48668 48.016 41.1091 GPRESSAVG: 90200 14.7182 31.6458 -6.07099 33.769 -56.0506 49.6843 -5.5669 47.3981 41.6182 TIMING: 90200 CPU: 266.533, 0.00292818/step Wall: 266.533, 0.00292818/step, 3.99355 hours remaining, 199.675781 MB of memory in use. ENERGY: 90200 753.0460 2052.9721 1967.2089 118.9091 -205858.7566 17681.5230 0.0000 0.0000 34317.8577 -148967.2398 299.7064 -183285.0975 -148870.3286 299.7898 -159.3979 -131.2902 558212.8617 0.1044 0.0953 PRESSURE: 90400 -117.807 51.349 73.5382 51.3476 135.959 -103.162 73.5385 -103.161 82.1301 GPRESSURE: 90400 -14.4148 25.6648 30.3207 34.9106 175.756 -53.7405 110.821 -150.274 31.9424 PRESSAVG: 90400 -14.1596 3.48984 58.048 3.48966 10.0586 -25.4284 58.048 -25.4285 8.74983 GPRESSAVG: 90400 -12.5386 7.17081 57.5056 1.97642 9.66557 -25.2085 58.0211 -25.7176 8.23771 TIMING: 90400 CPU: 267.117, 0.00292045/step Wall: 267.117, 0.00292045/step, 3.98284 hours remaining, 199.675781 MB of memory in use. ENERGY: 90400 792.4277 2098.1450 1949.7219 117.9746 -206064.3273 17941.3253 0.0000 0.0000 34325.8237 -148838.9091 299.7760 -183164.7328 -148741.2635 299.8837 33.4274 64.4279 556464.0875 1.5496 1.7882 PRESSURE: 90600 -61.6995 -154.337 -62.2445 -154.336 -345.313 -113.625 -62.2446 -113.627 308.069 GPRESSURE: 90600 -111.225 -87.5174 2.96228 -172.888 -245.157 -113.44 -128.256 -146.389 343.203 PRESSAVG: 90600 36.4312 -12.9496 40.9757 -12.9498 -19.0585 5.45653 40.9757 5.45655 -18.6341 GPRESSAVG: 90600 33.4835 -14.5372 41.97 -11.8162 -17.8233 5.64064 40.8529 4.61072 -16.7267 TIMING: 90600 CPU: 267.699, 0.00291118/step Wall: 267.699, 0.00291118/step, 3.97004 hours remaining, 199.675781 MB of memory in use. ENERGY: 90600 791.1870 2082.0563 1973.6385 110.3195 -205672.2711 17672.7838 0.0000 0.0000 34117.9945 -148924.2916 297.9609 -183042.2860 -148826.6372 300.1988 -32.9813 -4.3932 557382.1369 -0.4204 -0.3555 PRESSURE: 90800 87.6108 -161.166 129.375 -161.168 171.809 107.359 129.374 107.358 -128.863 GPRESSURE: 90800 156.508 -142.076 214.29 -197.895 135.543 33.1179 14.1789 179.379 -66.5313 PRESSAVG: 90800 21.3912 21.1468 8.8536 21.1468 -31.2267 20.5557 8.85356 20.5558 17.1571 GPRESSAVG: 90800 22.0818 21.7176 7.27861 21.3485 -32.1323 18.605 10.8345 21.134 16.9084 TIMING: 90800 CPU: 268.283, 0.0029164/step Wall: 268.283, 0.0029164/step, 3.977 hours remaining, 199.675781 MB of memory in use. ENERGY: 90800 711.4272 2143.0195 1947.1714 119.2917 -206109.4221 17837.3973 0.0000 0.0000 34472.7861 -148878.3289 301.0594 -183351.1150 -148780.3113 299.6714 43.5188 75.1732 557902.5803 2.4405 2.2859 PRESSURE: 91000 108.854 16.7021 44.8646 16.7043 70.9682 -70.0713 44.8659 -70.0703 -17.4632 GPRESSURE: 91000 124.389 -6.88676 4.32781 50.997 113.816 -84.8088 122.141 -58.8829 14.8928 PRESSAVG: 91000 26.5782 -2.2025 -8.4535 -2.2025 10.6705 26.7782 -8.45333 26.7782 -3.79847 GPRESSAVG: 91000 25.6557 -3.78828 -8.67085 -1.74229 11.4792 27.1004 -8.90103 26.9179 -3.15787 TIMING: 91000 CPU: 268.871, 0.00294007/step Wall: 268.871, 0.00294007/step, 4.00911 hours remaining, 199.675781 MB of memory in use. ENERGY: 91000 776.5741 2075.6540 1933.8097 124.7114 -205827.2313 17753.1137 0.0000 0.0000 34241.9648 -148921.4036 299.0436 -183163.3684 -148830.5602 300.4134 54.1196 84.3657 558098.4765 11.1501 11.3257 PRESSURE: 91200 266.353 176.664 -128.73 176.664 -57.2988 -24.189 -128.731 -24.1883 236.662 GPRESSURE: 91200 289.846 177.86 -150.612 186.506 13.0097 14.7666 -92.8041 -79.2945 233.705 PRESSAVG: 91200 21.2811 19.5245 12.9771 19.5244 -65.969 -54.3435 12.9771 -54.3435 35.6361 GPRESSAVG: 91200 22.8914 19.9127 13.7771 21.3717 -67.2993 -55.5725 13.1936 -54.4674 35.3937 TIMING: 91200 CPU: 269.459, 0.0029429/step Wall: 269.459, 0.0029429/step, 4.01281 hours remaining, 199.675781 MB of memory in use. ENERGY: 91200 787.1753 2117.2703 1938.4728 116.8681 -205961.1490 17797.1802 0.0000 0.0000 34261.3150 -148942.8673 299.2126 -183204.1823 -148858.1703 299.7389 148.5721 178.8535 556702.5428 -3.0173 -3.0047 PRESSURE: 91400 -117.236 -31.7013 165.762 -31.7019 -183.175 85.589 165.761 85.5892 129.774 GPRESSURE: 91400 -87.5976 -27.229 148.491 -60.9535 -77.6888 91.2052 106.646 123.804 94.6642 PRESSAVG: 91400 71.0483 32.7423 -20.2248 32.7422 -5.65631 4.45419 -20.2248 4.45417 -15.8697 GPRESSAVG: 91400 71.2543 34.4148 -21.1299 31.174 -5.24326 4.83049 -19.7563 6.97485 -16.3141 TIMING: 91400 CPU: 270.046, 0.00293148/step Wall: 270.046, 0.00293148/step, 3.99708 hours remaining, 199.675781 MB of memory in use. ENERGY: 91400 740.1038 2007.4831 1982.8147 103.3373 -205695.9119 17506.9862 0.0000 0.0000 34322.0658 -149033.1211 299.7431 -183355.1870 -148933.1212 299.6568 -56.8789 -23.5407 556303.6490 16.5075 16.5656 PRESSURE: 91600 149.314 -21.8105 69.7215 -21.8121 206.632 -155.12 69.7222 -155.119 46.2065 GPRESSURE: 91600 164.19 21.7662 86.4297 21.0145 238 -227.85 55.4717 -176.266 100.708 PRESSAVG: 91600 -6.51425 -13.125 -14.1429 -13.125 22.6672 -54.4143 -14.1429 -54.4144 -34.575 GPRESSAVG: 91600 -7.44015 -13.0907 -13.1386 -11.0837 23.1854 -56.3836 -14.2485 -54.9583 -34.1914 TIMING: 91600 CPU: 270.637, 0.00295854/step Wall: 270.637, 0.00295854/step, 4.03381 hours remaining, 199.675781 MB of memory in use. ENERGY: 91600 741.6615 2122.6416 1955.1229 106.3462 -206540.8287 18027.4427 0.0000 0.0000 34386.7809 -149200.8328 300.3083 -183587.6137 -149108.5677 298.9465 134.0509 167.6326 556147.5473 -6.1407 -6.1487 PRESSURE: 91800 -114.271 -66.608 79.7379 -66.6069 -124.353 145.316 79.7383 145.316 -42.9263 GPRESSURE: 91800 -126.919 -36.6854 146.648 -65.8055 -125.099 158.72 89.7083 98.0158 69.1097 PRESSAVG: 91800 35.1852 -13.6746 39.2602 -13.6745 11.2401 11.9406 39.2602 11.9406 -43.3 GPRESSAVG: 91800 34.7301 -14.1453 39.6956 -16.486 11.1448 13.0058 39.3704 11.0633 -43.0714 TIMING: 91800 CPU: 271.232, 0.00297302/step Wall: 271.232, 0.00297302/step, 4.05339 hours remaining, 199.675781 MB of memory in use. ENERGY: 91800 777.3843 2094.2295 1930.7213 97.8012 -206092.3491 17750.7348 0.0000 0.0000 34258.1057 -149183.3724 299.1846 -183441.4781 -149090.0920 298.9263 -93.8498 -60.9693 557879.1899 1.0418 0.9345 PRESSURE: 92000 -129.255 -104.453 -66.9213 -104.454 -191.337 143.857 -66.9226 143.857 60.9163 GPRESSURE: 92000 -62.206 -136.648 -48.2563 -114.641 -168.945 88.4046 -136.179 207.332 66.4588 PRESSAVG: 92000 30.8195 14.4902 4.28506 14.4901 -9.96275 3.33133 4.28521 3.33132 -3.00016 GPRESSAVG: 92000 31.412 15.521 4.64714 14.695 -10.0656 5.09766 3.26973 3.36617 -3.36315 TIMING: 92000 CPU: 271.824, 0.00295865/step Wall: 271.824, 0.00295865/step, 4.03362 hours remaining, 199.675781 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: 92000 779.8696 2069.8186 1960.2324 117.8227 -205706.9772 17581.8026 0.0000 0.0000 34252.9575 -148944.4739 299.1396 -183197.4313 -148847.8496 299.5619 -86.5585 -54.8974 558487.0940 5.9522 5.9944 PRESSURE: 92200 -53.1931 -86.4669 -91.0161 -86.4665 -186.416 -9.10982 -91.0162 -9.11094 -395.162 GPRESSURE: 92200 -68.1257 -121.873 -97.7219 -28.7961 -114.552 93.2897 -40.5157 -76.8887 -354.451 PRESSAVG: 92200 26.81 -53.3972 -17.2556 -53.3971 -19.2289 17.9102 -17.2556 17.9102 4.21079 GPRESSAVG: 92200 27.3565 -53.3907 -17.8482 -51.5045 -18.2472 18.6378 -16.4517 16.9212 3.27387 TIMING: 92200 CPU: 272.413, 0.00294413/step Wall: 272.413, 0.00294413/step, 4.01366 hours remaining, 199.675781 MB of memory in use. ENERGY: 92200 749.7660 2109.3562 1907.3740 119.1409 -205825.8069 17648.6754 0.0000 0.0000 34334.0824 -148957.4120 299.8481 -183291.4944 -148866.0621 299.4576 -211.5906 -179.0429 559467.1076 3.9306 4.1277 LDB: ============= START OF LOAD BALANCING ============== 275.835 LDB: ============== END OF LOAD BALANCING =============== 275.835 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 275.837 LDB: ============= START OF LOAD BALANCING ============== 276.13 LDB: Largest compute 4820 load 0.026453 is 22.5% of average load 0.117678 LDB: Average compute 0.001724 is 1.5% of average load 0.117678 LDB: TIME 276.132 LOAD: AVG 0.117678 MAX 0.196003 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 200.625 MB LDB: TIME 276.132 LOAD: AVG 0.117678 MAX 0.196003 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.625 MB LDB: TIME 276.132 LOAD: AVG 0.117678 MAX 0.196003 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 200.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 276.134 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 276.138 PRESSURE: 92400 -108.069 31.4989 194.247 31.4979 -109.753 -37.254 194.248 -37.2556 -357.801 GPRESSURE: 92400 -44.2126 27.5536 186.689 56.9224 -119.042 3.57207 212.278 -61.1987 -321.119 PRESSAVG: 92400 41.3755 -0.356345 19.3143 -0.356297 -11.0686 -36.0105 19.3144 -36.0106 -34.1117 GPRESSAVG: 92400 40.8315 -1.55278 19.0936 -0.83596 -12.3928 -38.0859 18.6254 -34.8988 -32.4894 TIMING: 92400 CPU: 273.009, 0.00298137/step Wall: 273.009, 0.00298137/step, 4.06428 hours remaining, 199.480469 MB of memory in use. ENERGY: 92400 748.2499 2045.3062 1947.9137 103.6478 -205711.5537 17630.7224 0.0000 0.0000 34352.7002 -148883.0135 300.0107 -183235.7137 -148780.0368 299.6192 -191.8747 -161.4580 559974.9763 -1.2683 -1.3502 PRESSURE: 92600 -182.876 9.90103 -86.7036 9.89991 -142.878 7.74175 -86.7035 7.74185 -315.302 GPRESSURE: 92600 -169.538 33.2767 -105.244 9.53149 -98.8988 111.801 -145.946 -65.3086 -293.294 PRESSAVG: 92600 6.77267 -1.31626 0.522492 -1.3163 31.3613 -37.8709 0.522472 -37.8709 -52.2785 GPRESSAVG: 92600 7.52509 -0.776223 1.01045 -2.16954 31.8349 -34.8123 -0.246406 -40.3731 -52.9248 TIMING: 92600 CPU: 273.595, 0.00292974/step Wall: 273.595, 0.00292974/step, 3.99372 hours remaining, 199.480469 MB of memory in use. ENERGY: 92600 748.6134 2100.5085 1941.4064 103.4282 -205419.8972 17488.2807 0.0000 0.0000 34140.7752 -148896.8849 298.1599 -183037.6601 -148794.3878 299.4303 -213.6852 -187.2435 558522.0819 -4.7148 -4.5216 PRESSURE: 92800 -73.0676 22.4981 -45.6097 22.4965 -28.4874 -260.551 -45.6092 -260.552 -131.534 GPRESSURE: 92800 -66.0805 135.059 -57.7736 35.7789 25.4706 -203.841 -13.8802 -235.066 -96.0376 PRESSAVG: 92800 83.2334 -24.0036 -24.8562 -24.0035 -15.9993 25.4064 -24.8562 25.4065 -50.383 GPRESSAVG: 92800 82.2977 -24.9211 -24.0212 -24.2991 -15.0423 22.7568 -24.8846 27.8503 -50.0441 TIMING: 92800 CPU: 274.184, 0.00294623/step Wall: 274.184, 0.00294623/step, 4.01604 hours remaining, 199.480469 MB of memory in use. ENERGY: 92800 751.2656 2087.4180 1978.5144 132.8271 -205488.0557 17572.0287 0.0000 0.0000 34164.8540 -148801.1479 298.3702 -182966.0019 -148706.4535 299.4137 -77.6962 -45.5492 559511.3120 5.6171 5.7371 PRESSURE: 93000 -69.3523 -40.2709 87.9076 -40.2713 68.5184 -18.0148 87.9064 -18.0152 -38.2672 GPRESSURE: 93000 -65.1501 -27.9488 123.855 -165.288 134.276 -72.9252 60.7757 44.3236 -21.5339 PRESSAVG: 93000 -27.369 2.89155 -11.2427 2.89149 -17.5156 -29.1138 -11.2426 -29.1138 27.3494 GPRESSAVG: 93000 -26.4106 1.53888 -11.5276 4.06515 -17.8036 -27.3186 -10.1682 -30.1151 26.7379 TIMING: 93000 CPU: 274.771, 0.00293457/step Wall: 274.771, 0.00293457/step, 3.99998 hours remaining, 199.480469 MB of memory in use. ENERGY: 93000 723.8025 2109.7715 1941.0021 117.8828 -206068.7736 17729.3048 0.0000 0.0000 34609.4817 -148837.5282 302.2532 -183447.0098 -148732.3615 299.9464 -13.0337 15.8640 557605.8591 -5.8451 -5.8254 PRESSURE: 93200 198.088 -115.846 99.6958 -115.846 -39.246 -41.6459 99.6949 -41.6449 218.24 GPRESSURE: 93200 256.494 -73.5097 74.3264 -88.853 -36.502 -77.0049 158.663 23.9014 260.551 PRESSAVG: 93200 2.22105 9.50449 -23.8606 9.50442 -13.3999 -34.2125 -23.8607 -34.2126 60.8139 GPRESSAVG: 93200 1.74365 10.438 -26.7675 7.44338 -13.7368 -37.5904 -24.1054 -31.233 61.7976 TIMING: 93200 CPU: 275.364, 0.00296399/step Wall: 275.364, 0.00296399/step, 4.03992 hours remaining, 199.480469 MB of memory in use. ENERGY: 93200 722.5385 2096.0794 1972.1437 127.1376 -206006.8594 17853.7641 0.0000 0.0000 34383.4877 -148851.7083 300.2796 -183235.1961 -148766.8694 300.1346 125.6940 160.1810 556010.7143 16.5450 16.6015 PRESSURE: 93400 0.555169 -110.364 48.9431 -110.364 11.4149 -255.433 48.9427 -255.433 -42.6559 GPRESSURE: 93400 41.8651 -139.189 96.4085 -107.593 24.8478 -211.378 11.4329 -241.546 12.7684 PRESSAVG: 93400 -20.3803 22.5696 -37.3787 22.5697 -22.8493 -47.7757 -37.3787 -47.7756 49.1208 GPRESSAVG: 93400 -21.214 22.0396 -36.2639 22.3288 -23.2215 -45.5925 -36.1636 -49.4166 49.9466 TIMING: 93400 CPU: 275.95, 0.00292947/step Wall: 275.95, 0.00292947/step, 3.99271 hours remaining, 199.480469 MB of memory in use. ENERGY: 93400 745.1158 2084.8432 1930.4564 112.1586 -205985.0588 17675.7362 0.0000 0.0000 34465.3396 -148971.4090 300.9944 -183436.7486 -148879.5426 300.1487 -10.2286 26.4937 556514.1842 1.9637 1.8370 PRESSURE: 93600 138.973 4.40176 31.3149 4.4016 -125.974 203.561 31.3151 203.56 235.317 GPRESSURE: 93600 129.346 7.75093 16.5378 -77.1709 -57.2826 298.069 -3.54111 226.606 272.249 PRESSAVG: 93600 -23.4287 -30.8625 20.0719 -30.8624 -22.9163 -34.8533 20.0719 -34.8535 25.6795 GPRESSAVG: 93600 -23.323 -29.8605 22.8584 -29.8 -23.3118 -34.7427 18.6572 -35.4096 25.454 TIMING: 93600 CPU: 276.535, 0.00292954/step Wall: 276.535, 0.00292954/step, 3.99264 hours remaining, 199.480469 MB of memory in use. ENERGY: 93600 751.5428 2069.9128 1957.6114 108.0881 -206232.0283 17940.5157 0.0000 0.0000 34332.5488 -149071.8087 299.8347 -183404.3575 -148968.0831 299.5075 82.7718 114.7711 557762.0681 -6.8885 -7.0603 PRESSURE: 93800 154.245 -176.683 95.6638 -176.682 31.9564 -136.999 95.6643 -136.999 -48.4662 GPRESSURE: 93800 138.298 -140.325 107.295 -158.711 107.924 -101.577 132.512 -153.431 -14.2007 PRESSAVG: 93800 17.5481 -4.78041 38.9371 -4.78034 -16.5009 35.1959 38.937 35.196 64.4654 GPRESSAVG: 93800 16.8893 -4.91815 38.5377 -3.74537 -16.7672 33.679 38.0433 35.6708 65.0194 TIMING: 93800 CPU: 277.125, 0.00294728/step Wall: 277.125, 0.00294728/step, 4.01666 hours remaining, 199.480469 MB of memory in use. ENERGY: 93800 722.2875 2106.7080 1961.7902 110.7923 -206097.1557 17749.9920 0.0000 0.0000 34258.7040 -149186.8818 299.1898 -183445.5858 -149085.2115 299.4140 45.9118 77.3406 557496.3608 21.8376 21.7138 PRESSURE: 94000 -275.176 50.6816 92.9302 50.681 -283.27 21.2764 92.9314 21.2761 -282.182 GPRESSURE: 94000 -267.118 75.1244 161.329 25.9735 -261.162 16.0623 47.8687 -15.2034 -212.949 PRESSAVG: 94000 23.8216 6.87333 -17.6732 6.87327 -37.095 -38.0434 -17.6732 -38.0434 36.0241 GPRESSAVG: 94000 24.1239 8.39766 -18.7838 5.16913 -35.9755 -36.6728 -16.2435 -38.4663 35.3765 TIMING: 94000 CPU: 277.715, 0.00294946/step Wall: 277.715, 0.00294946/step, 4.01946 hours remaining, 199.480469 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: 94000 785.4778 2168.9564 1953.5245 98.2797 -205454.4627 17370.0344 0.0000 0.0000 33877.6594 -149200.5305 295.8620 -183078.1899 -149110.1769 299.3591 -280.2093 -247.0764 559485.7972 7.5836 7.8416 PRESSURE: 94200 164.42 94.9183 -95.894 94.9174 -75.4968 224.383 -95.8944 224.383 179.607 GPRESSURE: 94200 190.621 28.7921 -151.214 124.707 -3.64031 254.956 -74.5159 154.023 180.127 PRESSAVG: 94200 8.92794 27.1151 -9.61585 27.1151 7.92345 -2.89025 -9.61589 -2.89024 -40.5451 GPRESSAVG: 94200 10.1681 26.2594 -8.19887 28.0678 6.94552 -3.56756 -10.6689 -3.94663 -40.8233 TIMING: 94200 CPU: 278.303, 0.00294221/step Wall: 278.303, 0.00294221/step, 4.00942 hours remaining, 199.480469 MB of memory in use. ENERGY: 94200 735.3718 2095.9661 1938.6577 107.2132 -206187.3664 17929.5477 0.0000 0.0000 34070.7500 -149309.8600 297.5483 -183380.6100 -149219.6777 298.4626 89.5100 122.3691 558192.6483 -7.8979 -7.9032 PRESSURE: 94400 195.191 194.992 85.8769 194.991 158.411 44.5943 85.8773 44.5927 -11.6099 GPRESSURE: 94400 213.02 135.83 89.0301 168.806 132.354 7.84871 111.555 95.155 84.9134 PRESSAVG: 94400 -39.358 0.558349 -5.22011 0.558342 53.8719 47.2455 -5.22011 47.2454 10.0802 GPRESSAVG: 94400 -40.4665 -2.31382 -5.75384 0.316546 55.3088 48.4591 -6.64387 46.5583 9.80975 TIMING: 94400 CPU: 278.895, 0.00295984/step Wall: 278.895, 0.00295984/step, 4.03328 hours remaining, 199.480469 MB of memory in use. ENERGY: 94400 768.2702 2084.3926 1928.0064 111.0873 -206430.1726 18038.8291 0.0000 0.0000 34250.2321 -149249.3549 299.1158 -183499.5870 -149158.6693 298.7379 113.9972 143.4292 556399.5889 8.1980 8.2173 PRESSURE: 94600 -76.3115 64.91 -57.6807 64.9104 32.4092 14.1948 -57.6802 14.1942 162.146 GPRESSURE: 94600 -96.0841 -12.3472 -97.298 89.6114 53.1745 54.6199 -84.473 35.5315 266.246 PRESSAVG: 94600 -58.5287 2.52544 -16.9916 2.52543 58.5343 7.96425 -16.9916 7.96427 5.66311 GPRESSAVG: 94600 -58.7405 2.66337 -16.7099 3.72504 58.514 6.81361 -15.3102 9.68041 6.31792 TIMING: 94600 CPU: 279.48, 0.00292244/step Wall: 279.48, 0.00292244/step, 3.98214 hours remaining, 199.480469 MB of memory in use. ENERGY: 94600 746.7925 2081.1849 1938.8494 108.3961 -206656.7315 17917.6211 0.0000 0.0000 34348.0985 -149515.7891 299.9705 -183863.8876 -149419.1596 298.7826 39.4147 74.4454 556981.6712 1.8896 2.0305 PRESSURE: 94800 3.44073 49.6064 -255.284 49.607 41.4331 -161.317 -255.284 -161.318 -60.046 GPRESSURE: 94800 74.7252 21.2017 -266.631 125.305 62.9323 -134.568 -237.964 -103.994 -52.5144 PRESSAVG: 94800 -22.2229 -16.8331 -33.6632 -16.8331 78.3859 1.38151 -33.6633 1.38144 -34.0399 GPRESSAVG: 94800 -21.3047 -13.9981 -34.1711 -15.5955 76.9065 -0.331023 -33.0625 0.382322 -33.0428 TIMING: 94800 CPU: 280.069, 0.00294625/step Wall: 280.069, 0.00294625/step, 4.01443 hours remaining, 199.480469 MB of memory in use. ENERGY: 94800 737.3333 2079.0788 1955.9521 98.0610 -206449.8613 17843.6373 0.0000 0.0000 34195.7776 -149540.0213 298.6402 -183735.7989 -149443.2681 298.3098 -5.0574 28.3810 555753.8217 7.3744 7.5197 PRESSURE: 95000 85.6619 -69.5336 -23.1953 -69.5348 86.4455 -152.436 -23.1951 -152.437 -113.309 GPRESSURE: 95000 77.3997 -35.7769 -11.0223 -26.9948 110.906 -162.316 -3.00307 -131.542 -27.3362 PRESSAVG: 95000 15.1861 -2.59959 39.8209 -2.59956 -23.5131 -18.024 39.8209 -18.0241 14.8369 GPRESSAVG: 95000 14.6903 -2.72335 38.5402 -6.39518 -23.3686 -15.3479 39.9593 -15.2129 15.0023 TIMING: 95000 CPU: 280.659, 0.00295068/step Wall: 280.659, 0.00295068/step, 4.0203 hours remaining, 199.480469 MB of memory in use. ENERGY: 95000 725.6928 2055.3890 1982.6082 121.6463 -206266.7877 17748.7752 0.0000 0.0000 34189.0751 -149443.6012 298.5817 -183632.6763 -149348.5316 298.4666 19.5995 53.6564 556558.6219 2.1699 2.1080 PRESSURE: 95200 103.522 -45.2903 -124.909 -45.2906 -199.345 -118.189 -124.907 -118.19 78.7321 GPRESSURE: 95200 151.563 -30.1722 -77.9581 -49.8571 -123.234 -88.735 -47.6199 -68.1557 52.0366 PRESSAVG: 95200 12.4124 -14.1537 52.6214 -14.1536 44.8334 -34.5235 52.6214 -34.5236 -19.8582 GPRESSAVG: 95200 11.8099 -12.7786 56.0237 -12.4625 45.8795 -33.7037 51.4311 -36.6168 -20.3911 TIMING: 95200 CPU: 281.25, 0.00295657/step Wall: 281.25, 0.00295657/step, 4.02816 hours remaining, 199.480469 MB of memory in use. ENERGY: 95200 717.7355 2106.2151 1950.7838 117.3259 -206213.5172 17640.3764 0.0000 0.0000 34476.0694 -149205.0112 301.0881 -183681.0806 -149100.6034 299.7026 -5.6968 26.7885 558001.7359 12.4625 12.4327 PRESSURE: 95400 -59.5015 26.8393 -160.987 26.8394 -219.754 -83.0328 -160.988 -83.033 29.2423 GPRESSURE: 95400 12.1727 92.4079 -102.099 14.6698 -163.582 -65.3455 -170.709 -52.3868 4.5216 PRESSAVG: 95400 -42.8869 -20.2968 -0.568386 -20.2968 -25.0059 28.4547 -0.568389 28.4547 43.2734 GPRESSAVG: 95400 -42.0106 -21.4317 -1.0667 -18.418 -25.785 26.2896 -2.03953 29.4469 43.2995 TIMING: 95400 CPU: 281.84, 0.00294848/step Wall: 281.84, 0.00294848/step, 4.01698 hours remaining, 199.480469 MB of memory in use. ENERGY: 95400 808.9393 2150.2711 1945.5141 127.0182 -205782.2718 17537.0620 0.0000 0.0000 34235.1878 -148978.2792 298.9844 -183213.4670 -148881.5408 298.9214 -83.3376 -48.9627 557233.6521 -8.2065 -8.1653 PRESSURE: 95600 -6.85055 292.248 10.4957 292.248 -263.721 -26.9003 10.4965 -26.9005 -305.058 GPRESSURE: 95600 -3.54064 257.828 -55.563 218.659 -252.665 -83.1045 -36.6696 -71.7265 -221.138 PRESSAVG: 95600 5.64172 -5.29184 29.3236 -5.29187 -56.6638 -15.3698 29.3236 -15.3698 96.5066 GPRESSAVG: 95600 6.27177 -4.55645 27.4575 -7.1633 -56.8598 -12.3738 30.6387 -19.1576 95.4912 TIMING: 95600 CPU: 282.432, 0.00296155/step Wall: 282.432, 0.00296155/step, 4.03462 hours remaining, 199.480469 MB of memory in use. ENERGY: 95600 733.4845 2155.5415 1968.8942 115.1548 -205853.0572 17547.5335 0.0000 0.0000 34365.9156 -148966.5330 300.1261 -183332.4486 -148867.9397 300.7211 -191.8765 -159.1147 558551.5493 15.1615 14.9677 PRESSURE: 95800 66.5925 20.8222 -138.428 20.8207 79.102 59.2313 -138.428 59.2301 158.409 GPRESSURE: 95800 87.0904 -47.136 -92.1805 32.6247 143.91 -2.43968 -227.148 23.4853 174.123 PRESSAVG: 95800 14.7115 -8.20302 34.0067 -8.20308 -12.7299 -26.374 34.0068 -26.374 -9.94784 GPRESSAVG: 95800 13.3709 -8.71656 34.2754 -6.15324 -11.7292 -27.7523 33.6451 -25.5194 -9.85104 TIMING: 95800 CPU: 283.021, 0.00294089/step Wall: 283.021, 0.00294089/step, 4.00631 hours remaining, 199.480469 MB of memory in use. ENERGY: 95800 727.5292 2100.6396 1951.6376 111.5298 -206176.8933 17882.2988 0.0000 0.0000 34447.4449 -148955.8134 300.8381 -183403.2584 -148871.7647 299.9936 101.3678 135.0410 558520.0289 -2.6554 -2.7365 PRESSURE: 96000 7.72761 -137.755 -10.0784 -137.756 -69.8476 -64.3253 -10.0777 -64.326 -223.697 GPRESSURE: 96000 -3.78341 -128.027 31.8968 -137.19 -26.7759 -48.8979 1.23157 -42.9229 -169.238 PRESSAVG: 96000 53.1515 3.88813 36.9845 3.88809 -28.6016 31.1562 36.9846 31.1562 39.208 GPRESSAVG: 96000 55.3373 5.46398 37.0685 2.14759 -29.5584 29.082 38.308 32.5355 37.9567 TIMING: 96000 CPU: 283.612, 0.00295791/step Wall: 283.612, 0.00295791/step, 4.02933 hours remaining, 199.480469 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: 96000 775.1888 2120.9495 1992.3393 118.1925 -206134.4448 17752.6339 0.0000 0.0000 34202.8709 -149172.2697 298.7022 -183375.1406 -149082.5626 300.5144 -95.2725 -66.5991 557703.5636 21.2526 21.2452 PRESSURE: 96200 -205.39 -135.194 65.2506 -135.194 -107.893 -13.9636 65.2491 -13.9637 -22.5802 GPRESSURE: 96200 -150.059 -76.551 97.7275 -200.485 -86.9138 -22.954 52.769 22.7934 -15.991 PRESSAVG: 96200 -59.1827 16.0893 46.0149 16.0893 42.9408 25.9722 46.0149 25.9721 -13.7675 GPRESSAVG: 96200 -60.5055 14.1406 46.5655 16.7508 42.0217 27.38 45.4865 26.1298 -11.8605 TIMING: 96200 CPU: 284.201, 0.00294645/step Wall: 284.201, 0.00294645/step, 4.01355 hours remaining, 199.480469 MB of memory in use. ENERGY: 96200 750.5392 2069.4105 1970.2609 106.0781 -205880.8669 17655.6018 0.0000 0.0000 34282.9266 -149046.0498 299.4013 -183328.9764 -148943.3916 299.9673 -111.9545 -84.3213 556661.9738 -10.0031 -10.1148 LDB: ============= START OF LOAD BALANCING ============== 287.629 LDB: ============== END OF LOAD BALANCING =============== 287.629 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 287.63 LDB: ============= START OF LOAD BALANCING ============== 287.928 LDB: Largest compute 4848 load 0.025562 is 21.7% of average load 0.117672 LDB: Average compute 0.001729 is 1.5% of average load 0.117672 LDB: TIME 287.93 LOAD: AVG 0.117672 MAX 0.195575 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 199.738 MB LDB: TIME 287.93 LOAD: AVG 0.117672 MAX 0.195575 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.738 MB LDB: TIME 287.93 LOAD: AVG 0.117672 MAX 0.195575 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 199.738 MB LDB: ============== END OF LOAD BALANCING =============== 287.932 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 287.936 PRESSURE: 96400 345.692 -59.9624 57.6538 -59.9624 -184.426 -34.3169 57.6531 -34.3154 -56.7523 GPRESSURE: 96400 370.65 -64.024 3.78429 -35.2503 -124.625 8.70196 61.6161 -36.5484 -42.3854 PRESSAVG: 96400 91.8009 -30.9481 -27.2422 -30.9481 -46.9494 36.7212 -27.2422 36.7212 -15.9847 GPRESSAVG: 96400 91.903 -30.5877 -27.4388 -29.8877 -46.6543 35.3759 -27.629 35.7497 -16.8291 TIMING: 96400 CPU: 284.807, 0.00302536/step Wall: 284.807, 0.00302536/step, 4.12088 hours remaining, 200.640625 MB of memory in use. ENERGY: 96400 758.9579 2106.9422 1956.8971 112.0709 -206375.8074 17910.8075 0.0000 0.0000 34403.4229 -149126.7090 300.4536 -183530.1319 -149031.9103 300.1065 34.8379 67.8799 557040.3644 9.6223 9.4732 PRESSURE: 96600 -71.6047 8.79244 108.809 8.79334 -10.0638 143.887 108.81 143.887 -212.321 GPRESSURE: 96600 -17.0751 66.5854 149.356 -18.706 -31.5146 187.001 32.9252 144.609 -141.784 PRESSAVG: 96600 25.555 49.1867 0.715038 49.1867 -19.9835 58.4815 0.715037 58.4816 -2.12461 GPRESSAVG: 96600 25.8365 49.8627 0.00182325 46.0631 -20.1209 59.188 0.815468 59.3483 -3.00254 TIMING: 96600 CPU: 285.397, 0.00295414/step Wall: 285.397, 0.00295414/step, 4.0237 hours remaining, 200.839844 MB of memory in use. ENERGY: 96600 752.1774 2142.1744 1943.2302 107.2559 -206380.9005 17848.5909 0.0000 0.0000 34599.3339 -148988.1380 302.1646 -183587.4718 -148892.4940 299.8620 -97.9964 -63.4579 557392.0121 1.1490 0.9043 PRESSURE: 96800 -395.688 -58.4149 -52.9553 -58.4144 -68.853 -1.50042 -52.9559 -1.50236 -82.3857 GPRESSURE: 96800 -332.19 -8.72262 -89.4287 -129.136 -10.4114 -38.4297 44.4978 42.0687 -111.664 PRESSAVG: 96800 -24.1689 31.1792 35.7946 31.1791 46.7452 22.0676 35.7947 22.0677 -25.8478 GPRESSAVG: 96800 -24.9993 30.2924 37.6628 33.5002 46.8816 21.3395 34.5412 21.4461 -25.2086 TIMING: 96800 CPU: 285.985, 0.00293654/step Wall: 285.985, 0.00293654/step, 3.99956 hours remaining, 200.839844 MB of memory in use. ENERGY: 96800 746.3694 2122.0403 1950.6097 111.2365 -205816.5373 17601.4161 0.0000 0.0000 34169.4657 -149115.3995 298.4104 -183284.8652 -149019.3895 300.1443 -182.3091 -151.4217 559522.7504 -1.0905 -1.1088 PRESSURE: 97000 -180.001 116.756 -29.2352 116.757 -106.611 78.9354 -29.2356 78.9349 -249.384 GPRESSURE: 97000 -154.778 259.754 -4.84203 60.5652 -8.99667 47.841 -19.5705 111.225 -275.11 PRESSAVG: 97000 1.34068 -14.5992 -42.3545 -14.5991 32.7177 65.5841 -42.3545 65.5841 -54.7103 GPRESSAVG: 97000 2.18981 -14.7564 -43.4612 -14.5289 32.2569 67.4534 -38.7269 64.0321 -54.8913 TIMING: 97000 CPU: 286.577, 0.00296381/step Wall: 286.577, 0.00296381/step, 4.03654 hours remaining, 200.839844 MB of memory in use. ENERGY: 97000 822.8369 2093.9506 1944.7142 118.1008 -205896.1541 17642.6154 0.0000 0.0000 33943.2888 -149330.6473 296.4352 -183273.9361 -149236.0413 299.8018 -178.6650 -146.2949 558572.0774 -6.8840 -6.8148 PRESSURE: 97200 -10.1 -99.5048 -24.155 -99.5036 3.32954 -69.1988 -24.155 -69.1993 -5.01715 GPRESSURE: 97200 16.5876 -119.449 102.113 -44.6486 78.8092 -39.5214 -54.4111 -103.244 -9.90829 PRESSAVG: 97200 -55.9953 47.7769 30.8098 47.7769 26.4267 3.15118 30.8099 3.15116 -16.6294 GPRESSAVG: 97200 -57.9777 47.5773 32.3534 47.7874 27.8156 1.81669 28.474 3.97018 -15.9121 TIMING: 97200 CPU: 287.171, 0.00296575/step Wall: 287.171, 0.00296575/step, 4.03902 hours remaining, 200.839844 MB of memory in use. ENERGY: 97200 753.2295 2034.8868 1982.1368 114.9808 -206433.9900 17972.2786 0.0000 0.0000 34451.8457 -149124.6317 300.8765 -183576.4774 -149026.2728 300.1619 -3.9292 28.4962 557275.9947 -15.3994 -15.3581 PRESSURE: 97400 -93.716 48.3538 29.4528 48.3545 -127.075 -49.0098 29.4529 -49.0098 -164.821 GPRESSURE: 97400 -34.8339 69.0503 32.667 21.7738 -109.296 -28.186 26.1879 -114.488 -147.918 PRESSAVG: 97400 -1.97649 25.1604 -18.4159 25.1604 -25.4042 9.12878 -18.4159 9.12863 72.3248 GPRESSAVG: 97400 -0.0761372 24.9169 -19.3809 22.5176 -26.1506 7.80177 -19.3773 9.49557 71.5584 TIMING: 97400 CPU: 287.763, 0.00296307/step Wall: 287.763, 0.00296307/step, 4.0352 hours remaining, 200.839844 MB of memory in use. ENERGY: 97400 766.7007 2093.1263 1953.3849 116.5279 -206172.2430 17738.2089 0.0000 0.0000 34258.3413 -149245.9531 299.1866 -183504.2944 -149149.5849 299.1903 -128.5373 -97.3493 559002.2572 14.9814 15.1106 PRESSURE: 97600 135.62 77.6853 -13.254 77.6858 65.0583 148.752 -13.2542 148.754 196.679 GPRESSURE: 97600 157.739 39.2935 42.461 -12.4816 128.422 115.225 -18.8168 54.6484 205.001 PRESSAVG: 97600 -1.16225 16.5604 5.76612 16.5606 -4.39334 -19.2806 5.76612 -19.2805 24.8209 GPRESSAVG: 97600 -1.54532 16.2178 7.2712 15.7668 -5.81543 -16.4737 6.22249 -20.4034 26.4937 TIMING: 97600 CPU: 288.355, 0.00295772/step Wall: 288.355, 0.00295772/step, 4.02776 hours remaining, 200.839844 MB of memory in use. ENERGY: 97600 748.7523 2124.6157 1986.4412 117.1388 -206531.7495 18102.0652 0.0000 0.0000 34285.6475 -149167.0887 299.4251 -183452.7362 -149067.7145 299.1646 132.4525 163.7207 558430.3557 6.4218 6.3777 PRESSURE: 97800 27.4296 173.938 -88.1047 173.937 62.1556 139.384 -88.1054 139.384 -25.3683 GPRESSURE: 97800 49.1716 58.0018 -58.1815 214.761 91.018 126.623 -97.7208 147.862 16.6446 PRESSAVG: 97800 69.8216 3.6132 27.2881 3.61312 -35.7284 43.0247 27.288 43.0248 27.9349 GPRESSAVG: 97800 69.082 1.38051 24.1876 5.95384 -33.4952 42.0169 27.7771 44.5603 27.0954 TIMING: 97800 CPU: 288.946, 0.0029565/step Wall: 288.946, 0.0029565/step, 4.02593 hours remaining, 200.839844 MB of memory in use. ENERGY: 97800 717.7110 2142.1150 1975.3738 114.4034 -206013.6579 17754.2384 0.0000 0.0000 34335.9563 -148973.8600 299.8644 -183309.8163 -148871.3843 300.1230 21.4056 52.2781 558470.7648 20.6760 20.8941 PRESSURE: 98000 107.211 -7.415 19.2799 -7.41595 -123.39 46.1516 19.281 46.1494 193.665 GPRESSURE: 98000 174.814 -16.0333 -23.1804 -62.3508 -91.1941 25.0053 71.748 7.24325 185.613 PRESSAVG: 98000 1.20891 -31.2453 6.55801 -31.2455 28.0658 10.0941 6.55801 10.094 -34.2621 GPRESSAVG: 98000 2.01972 -29.446 7.89425 -32.6017 26.4265 10.5604 6.53443 9.03197 -33.9039 TIMING: 98000 CPU: 289.538, 0.00295774/step Wall: 289.538, 0.00295774/step, 4.02745 hours remaining, 200.839844 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: 98000 751.2448 2137.3893 1982.9371 104.4504 -206127.5444 17892.1858 0.0000 0.0000 34137.2532 -149122.0838 298.1291 -183259.3371 -149025.5022 299.9601 59.1621 89.7443 557632.3056 -1.6625 -1.8192 PRESSURE: 98200 -203.268 59.2612 154.059 59.2613 -225.671 133.844 154.058 133.844 -89.6958 GPRESSURE: 98200 -145.885 23.7615 93.657 82.0066 -197.968 127.165 181.371 108.692 -63.9144 PRESSAVG: 98200 8.80331 6.76961 19.9026 6.76971 28.7924 -37.2482 19.9026 -37.248 -31.5634 GPRESSAVG: 98200 7.75695 7.44531 21.5145 5.83749 29.4146 -38.1599 21.3544 -35.8172 -31.1643 TIMING: 98200 CPU: 290.128, 0.00294981/step Wall: 290.128, 0.00294981/step, 4.0165 hours remaining, 200.839844 MB of memory in use. ENERGY: 98200 780.5832 2051.5209 1976.4967 125.7857 -205997.5988 17520.5521 0.0000 0.0000 34461.0191 -149081.6411 300.9567 -183542.6602 -148987.3475 299.7882 -172.8784 -135.9223 556320.4203 2.0108 2.0024 PRESSURE: 98400 -156.129 -145.096 -47.229 -145.097 -77.9439 -33.4227 -47.2281 -33.421 -51.2158 GPRESSURE: 98400 -92.2509 -114.739 -38.9938 -119.583 -78.1939 -66.4285 -9.59492 38.6377 -24.9354 PRESSAVG: 98400 18.6387 1.0927 -24.6243 1.09264 53.3037 -26.1738 -24.6242 -26.1738 -38.3375 GPRESSAVG: 98400 18.7948 0.843309 -26.7905 4.09789 53.9317 -24.685 -25.5273 -27.21 -38.4721 TIMING: 98400 CPU: 290.717, 0.00294556/step Wall: 290.717, 0.00294556/step, 4.01054 hours remaining, 200.839844 MB of memory in use. ENERGY: 98400 762.2156 2087.7637 1951.1744 116.7692 -206212.4357 17706.8121 0.0000 0.0000 34512.9747 -149074.7259 301.4104 -183587.7007 -148980.6839 300.2556 -95.0963 -65.1267 557167.2497 11.2016 11.4181 PRESSURE: 98600 -339.058 76.5095 168.721 76.5096 27.2208 54.5314 168.721 54.5321 -88.2015 GPRESSURE: 98600 -262.374 33.3736 106.016 92.464 10.3361 60.5371 138.462 29.2368 -47.4498 PRESSAVG: 98600 -39.034 34.8376 38.3159 34.8376 63.0282 28.2329 38.3158 28.2329 -20.4432 GPRESSAVG: 98600 -39.402 35.9248 39.034 32.9243 63.334 28.106 39.8471 27.9662 -20.6725 TIMING: 98600 CPU: 291.303, 0.00293003/step Wall: 291.303, 0.00293003/step, 3.98924 hours remaining, 200.839844 MB of memory in use. ENERGY: 98600 741.1772 2096.6527 1951.9948 118.2955 -206200.4589 17638.8428 0.0000 0.0000 34370.6010 -149282.8949 300.1670 -183653.4959 -149179.5728 299.9892 -133.3462 -99.8292 557516.0145 1.1837 1.0865 PRESSURE: 98800 -137.441 -182.897 68.1083 -182.898 -92.9156 8.10245 68.1095 8.10263 202.707 GPRESSURE: 98800 -77.991 -178.128 125.166 -81.3995 -59.9579 37.991 114.68 -109.646 211.022 PRESSAVG: 98800 -4.68249 16.2154 46.8382 16.2155 19.8553 12.8858 46.8382 12.8859 -35.0599 GPRESSAVG: 98800 -2.7576 15.344 47.9361 17.5036 18.6531 12.371 45.4276 13.2346 -35.8936 TIMING: 98800 CPU: 291.891, 0.00294168/step Wall: 291.891, 0.00294168/step, 4.00494 hours remaining, 200.839844 MB of memory in use. ENERGY: 98800 765.4839 2074.0882 1959.6554 117.8105 -206296.4814 17772.0277 0.0000 0.0000 34374.0000 -149233.4157 300.1967 -183607.4157 -149138.8714 299.2347 -9.2167 24.3578 557879.5557 -6.6290 -6.6660 PRESSURE: 99000 116.575 -68.5283 -24.5764 -68.5288 17.0824 147.638 -24.5758 147.637 32.7707 GPRESSURE: 99000 150.725 -36.8739 62.8138 -74.4154 1.45882 235.775 -60.9487 135.768 89.6986 PRESSAVG: 99000 19.8048 11.7763 30.9804 11.7763 -20.7377 -13.0724 30.9804 -13.0723 6.65713 GPRESSAVG: 99000 19.0995 11.8748 30.6626 12.3547 -20.8788 -12.8131 31.7909 -13.1124 7.02609 TIMING: 99000 CPU: 292.479, 0.0029415/step Wall: 292.479, 0.0029415/step, 4.00452 hours remaining, 200.839844 MB of memory in use. ENERGY: 99000 737.4363 2083.4541 1963.4959 119.7785 -206459.1536 17888.4863 0.0000 0.0000 34419.0033 -149247.4992 300.5897 -183666.5025 -149152.0671 299.1986 55.4762 80.6274 556492.8003 1.9081 1.7489 PRESSURE: 99200 76.2514 -59.2589 -72.6811 -59.2588 221.545 0.458561 -72.6808 0.457061 -133.21 GPRESSURE: 99200 131.409 1.7631 -78.7647 16.5766 230.996 22.5153 -32.8506 -27.3783 -111.466 PRESSAVG: 99200 -34.1614 -29.9108 -55.6355 -29.9107 8.06432 44.7852 -55.6355 44.7852 33.4749 GPRESSAVG: 99200 -35.3579 -30.0657 -55.3596 -30.5956 9.05167 45.3679 -54.9212 43.6699 33.602 TIMING: 99200 CPU: 293.075, 0.00298066/step Wall: 293.075, 0.00298066/step, 4.05768 hours remaining, 200.839844 MB of memory in use. ENERGY: 99200 717.6752 2086.4446 1972.1913 128.3067 -206397.1874 17897.4426 0.0000 0.0000 34203.3482 -149391.7788 298.7063 -183595.1270 -149298.2631 299.2864 54.8620 83.6463 556510.9382 2.4593 2.4319 PRESSURE: 99400 14.8147 -85.0757 16.2526 -85.0746 -174.225 -32.428 16.2528 -32.4305 277.156 GPRESSURE: 99400 90.1251 -121.843 26.4395 -72.7525 -154.333 -3.55586 149.117 -57.3675 276.695 PRESSAVG: 99400 25.254 4.06031 24.6845 4.06025 14.617 10.539 24.6846 10.5389 -32.5432 GPRESSAVG: 99400 26.0281 4.33441 25.6278 3.33176 14.1157 9.39995 23.4813 10.9207 -32.7118 TIMING: 99400 CPU: 293.67, 0.00297066/step Wall: 293.67, 0.00297066/step, 4.04389 hours remaining, 200.839844 MB of memory in use. ENERGY: 99400 758.9792 2126.9378 1952.5289 117.5958 -206608.3186 17928.4124 0.0000 0.0000 34170.6772 -149553.1872 298.4210 -183723.8644 -149456.0672 298.9547 39.2485 70.8291 556127.2561 2.4426 2.4773 PRESSURE: 99600 71.7376 19.6853 -76.3105 19.6853 -142.443 -31.1404 -76.3102 -31.1407 244.043 GPRESSURE: 99600 138.825 63.6569 -20.2213 7.37713 -78.4908 -107.04 -97.0086 -33.765 210.943 PRESSAVG: 99600 15.2251 30.2798 -3.5359 30.2798 -101.577 -12.3971 -3.5359 -12.397 1.55804 GPRESSAVG: 99600 15.2004 30.4284 -4.49413 30.4022 -102.002 -15.305 -3.92791 -10.8049 1.83696 TIMING: 99600 CPU: 294.262, 0.00296345/step Wall: 294.262, 0.00296345/step, 4.03391 hours remaining, 200.839844 MB of memory in use. ENERGY: 99600 709.4640 2090.7574 1935.0268 112.5780 -206392.3404 17967.9524 0.0000 0.0000 34217.8235 -149358.7383 298.8328 -183576.5618 -149265.9862 298.5188 57.7793 90.4254 556773.7860 -28.2645 -28.3216 PRESSURE: 99800 -76.3428 159.282 8.81227 159.283 -121.098 83.8656 8.81244 83.864 -263.989 GPRESSURE: 99800 -94.5111 128.317 -40.6149 138.699 -81.3104 9.75903 29.1746 35.3884 -196.659 PRESSAVG: 99800 89.5151 51.5205 14.2942 51.5205 -81.0591 -35.651 14.2943 -35.651 -2.18897 GPRESSAVG: 99800 89.4229 50.0671 12.2706 51.2703 -80.3839 -32.4826 17.7616 -36.9194 -3.01682 TIMING: 99800 CPU: 294.85, 0.00293967/step Wall: 294.85, 0.00293967/step, 4.00137 hours remaining, 200.839844 MB of memory in use. ENERGY: 99800 721.7213 2097.0737 1989.3292 130.2376 -205729.8279 17519.4084 0.0000 0.0000 34037.2250 -149234.8327 297.2556 -183272.0577 -149137.8192 299.0336 -153.8100 -124.1600 559127.2675 2.0890 2.0074 PRESSURE: 100000 85.5221 62.583 -199.053 62.5842 177.131 81.8556 -199.052 81.856 -45.8005 GPRESSURE: 100000 96.8092 103.191 -96.6898 -12.6327 215.78 37.7057 -145.302 179.696 -14.766 PRESSAVG: 100000 16.2985 -11.0829 -86.2615 -11.083 -3.9476 5.47178 -86.2614 5.47184 -46.2129 GPRESSAVG: 100000 16.4829 -9.22533 -84.4401 -11.5652 -4.01414 4.80692 -87.8894 7.83888 -46.3115 TIMING: 100000 CPU: 295.447, 0.00298207/step Wall: 295.447, 0.00298207/step, 4.05893 hours remaining, 203.156250 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: 100000 761.1977 2091.5357 1949.1065 101.9366 -206535.6158 18076.5118 0.0000 0.0000 34255.9169 -149299.4105 299.1654 -183555.3274 -149203.5601 298.7238 72.2843 99.2743 557188.8278 -11.2873 -11.2809 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.072 seconds, 203.316 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=100000) takes 0.029 seconds, 204.141 MB of memory in use PRESSURE: 100200 32.0943 4.58477 41.037 4.58654 -133.214 41.4107 41.0371 41.41 281.415 GPRESSURE: 100200 44.9176 -58.7952 133.462 41.7505 -103.635 25.0493 -2.02838 80.7322 339.725 PRESSAVG: 100200 -33.9277 -25.3187 -30.4349 -25.3187 -11.4109 19.7334 -30.4348 19.7333 28.8092 GPRESSAVG: 100200 -35.6774 -24.8018 -31.4424 -25.8035 -10.7398 19.8757 -31.2831 17.5992 29.9002 TIMING: 100200 CPU: 296.176, 0.00364932/step Wall: 296.176, 0.00364932/step, 4.96693 hours remaining, 204.144531 MB of memory in use. ENERGY: 100200 740.7272 2160.0385 1947.4029 103.3056 -206225.6893 17912.2824 0.0000 0.0000 34153.6902 -149208.2424 298.2727 -183361.9326 -149114.0764 299.2116 60.0982 93.6692 557119.7138 -5.5098 -5.5057 LDB: ============= START OF LOAD BALANCING ============== 299.604 LDB: ============== END OF LOAD BALANCING =============== 299.604 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 299.606 LDB: ============= START OF LOAD BALANCING ============== 299.903 LDB: Largest compute 4820 load 0.026123 is 22.2% of average load 0.117806 LDB: Average compute 0.001715 is 1.5% of average load 0.117806 LDB: TIME 299.905 LOAD: AVG 0.117806 MAX 0.196665 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.238 MB LDB: TIME 299.906 LOAD: AVG 0.117806 MAX 0.196665 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.441 MB LDB: TIME 299.906 LOAD: AVG 0.117806 MAX 0.196665 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.441 MB LDB: ============== END OF LOAD BALANCING =============== 299.908 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 299.912 PRESSURE: 100400 100.063 13.848 47.6581 13.8462 -82.1542 168.198 47.6588 168.201 13.214 GPRESSURE: 100400 110.715 -47.5826 42.9578 105.117 -60.7902 138.927 99.064 173.366 74.1689 PRESSAVG: 100400 45.9226 11.463 -55.0739 11.4631 -50.5708 31.2907 -55.0739 31.2907 -9.75586 GPRESSAVG: 100400 47.857 10.5042 -52.7609 14.2719 -51.3925 33.4135 -54.9365 30.7533 -10.781 TIMING: 100400 CPU: 296.782, 0.00302704/step Wall: 296.782, 0.00302704/step, 4.11981 hours remaining, 203.945312 MB of memory in use. ENERGY: 100400 735.2252 2077.6344 1962.5456 113.7565 -206355.5121 17809.3156 0.0000 0.0000 34223.8735 -149433.1612 298.8856 -183657.0347 -149338.4288 299.0178 10.3743 41.3645 556231.0107 -4.8013 -4.7722 PRESSURE: 100600 41.0915 -11.8899 26.9784 -11.8894 -124.449 36.1264 26.9795 36.1275 27.9091 GPRESSURE: 100600 59.5524 -19.798 22.1249 22.1326 -63.3456 63.1986 -3.12887 74.7121 29.0457 PRESSAVG: 100600 72.7024 9.32631 3.57811 9.32636 -9.60996 3.42261 3.57813 3.42278 -85.9952 GPRESSAVG: 100600 71.0709 11.4283 3.52585 6.02183 -9.01689 1.71323 2.42908 3.99216 -84.9908 TIMING: 100600 CPU: 297.372, 0.00294819/step Wall: 297.372, 0.00294819/step, 4.01233 hours remaining, 204.144531 MB of memory in use. ENERGY: 100600 727.0156 2111.4707 1973.3855 120.4499 -206079.0082 17596.2077 0.0000 0.0000 34242.5465 -149307.9323 299.0487 -183550.4788 -149205.5935 298.5093 -18.4829 8.4175 555806.0457 -7.6343 -7.6456 PRESSURE: 100800 -135.208 -82.5782 -178.44 -82.5791 -147.318 72.0727 -178.44 72.0746 3.00355 GPRESSURE: 100800 -29.9535 -56.4813 -120.217 -173.593 -140.246 151.592 -176.442 7.44865 -27.1862 PRESSAVG: 100800 60.9303 2.92606 -28.6103 2.92606 12.0784 12.7358 -28.6102 12.7359 -61.1423 GPRESSAVG: 100800 61.7387 0.979726 -28.9908 5.12898 12.584 12.2163 -28.9988 10.7103 -62.6098 TIMING: 100800 CPU: 297.964, 0.00296004/step Wall: 297.964, 0.00296004/step, 4.02829 hours remaining, 204.402344 MB of memory in use. ENERGY: 100800 783.3519 2100.0418 1964.3790 123.5754 -206371.9115 17729.4117 0.0000 0.0000 34282.3954 -149388.7562 299.3967 -183671.1516 -149291.0332 298.8101 -93.1741 -65.7952 557141.1638 3.9555 3.9043 PRESSURE: 101000 -245.426 -51.2985 128.576 -51.299 25.9788 46.4699 128.576 46.4691 -234.181 GPRESSURE: 101000 -204.902 28.4152 154.889 -73.3535 68.6157 18.9947 113.823 93.4238 -225.09 PRESSAVG: 101000 53.6342 9.10458 14.3597 9.10456 -16.187 -22.2351 14.3598 -22.2351 -55.5437 GPRESSAVG: 101000 53.8951 9.35653 15.9956 8.37627 -17.3012 -21.763 12.7595 -20.7001 -54.4654 TIMING: 101000 CPU: 298.555, 0.00295838/step Wall: 298.555, 0.00295838/step, 4.02586 hours remaining, 204.402344 MB of memory in use. ENERGY: 101000 779.7922 2091.7848 1957.8394 106.3844 -206013.6669 17579.7720 0.0000 0.0000 34197.0212 -149301.0729 298.6511 -183498.0941 -149195.8208 298.9038 -151.2094 -120.4589 557483.1170 -6.0321 -5.9572 PRESSURE: 101200 -165.12 132.92 100.693 132.921 84.4754 54.4249 100.693 54.4242 -90.8799 GPRESSURE: 101200 -102.874 145.238 64.4198 140.56 79.3001 14.9425 57.322 143.792 -59.7142 PRESSAVG: 101200 10.0227 -26.1394 53.7317 -26.1394 -19.2597 1.90702 53.7317 1.90704 -35.9609 GPRESSAVG: 101200 10.6537 -27.5391 51.0254 -24.7035 -20.14 2.71937 55.3436 0.587015 -35.7031 TIMING: 101200 CPU: 299.149, 0.00297072/step Wall: 299.149, 0.00297072/step, 4.0425 hours remaining, 204.402344 MB of memory in use. ENERGY: 101200 769.7062 2159.6522 1959.5497 106.1751 -206346.6050 17692.3390 0.0000 0.0000 34449.5869 -149209.5959 300.8568 -183659.1827 -149111.6041 299.5563 -57.1748 -27.7626 555668.3074 -15.0660 -15.0631 PRESSURE: 101400 142.305 -75.427 -129.587 -75.4281 198.363 1.58293 -129.586 1.58191 210.258 GPRESSURE: 101400 135.729 -24.3882 -121.543 -97.261 231.035 -17.2016 -143.137 -4.88234 271.995 PRESSAVG: 101400 5.16467 -3.94988 6.79761 -3.94995 7.58861 24.4318 6.79758 24.4317 -21.2326 GPRESSAVG: 101400 4.30884 -3.39463 7.6564 -6.03026 9.5556 24.4246 6.05455 24.7661 -22.5258 TIMING: 101400 CPU: 299.739, 0.00294902/step Wall: 299.739, 0.00294902/step, 4.0128 hours remaining, 204.402344 MB of memory in use. ENERGY: 101400 710.7663 2123.2137 1955.0929 115.5459 -206293.4548 18076.0172 0.0000 0.0000 34083.3208 -149229.4980 297.6581 -183312.8187 -149133.7938 299.3734 183.6422 212.9195 558335.8781 -2.8265 -2.8871 PRESSURE: 101600 -69.9842 -184.919 134.271 -184.92 175.798 -76.585 134.27 -76.5859 -5.45003 GPRESSURE: 101600 -21.36 -150.543 193.381 -139.112 184.287 -122.441 102.453 -5.31115 28.3232 PRESSAVG: 101600 -44.7009 -19.1573 14.821 -19.1574 48.2887 15.6891 14.821 15.6892 23.9429 GPRESSAVG: 101600 -44.6777 -19.358 14.2065 -18.0322 48.8854 16.5812 15.5191 14.1937 23.6318 TIMING: 101600 CPU: 300.333, 0.00296986/step Wall: 300.333, 0.00296986/step, 4.041 hours remaining, 204.402344 MB of memory in use. ENERGY: 101600 712.8564 2080.2157 1936.0374 122.4618 -206255.6806 17858.7820 0.0000 0.0000 34248.7677 -149296.5596 299.1030 -183545.3274 -149206.7267 299.0456 33.4546 63.7502 557408.9446 9.1769 9.2798 PRESSURE: 101800 -64.7486 -93.1809 -94.0939 -93.1803 -301.942 -113.726 -94.0947 -113.725 107.817 GPRESSURE: 101800 6.31128 -69.1154 -104.166 -169.853 -296.308 -147.804 -82.8164 -84.7875 120.182 PRESSAVG: 101800 1.4717 -7.80631 -38.3816 -7.80633 9.18018 -9.23951 -38.3816 -9.23938 40.4863 GPRESSAVG: 101800 0.215992 -8.46525 -39.357 -8.73784 8.75367 -8.60845 -38.3939 -7.74027 41.5323 TIMING: 101800 CPU: 300.928, 0.00297489/step Wall: 300.928, 0.00297489/step, 4.04767 hours remaining, 204.402344 MB of memory in use. ENERGY: 101800 730.6727 2099.8108 1951.8127 102.8127 -206299.4745 17984.1387 0.0000 0.0000 34135.9557 -149294.2712 298.1178 -183430.2269 -149199.6126 298.9673 -86.2910 -56.6050 558903.2965 17.0461 16.8340 PRESSURE: 102000 59.199 -166.116 -102.93 -166.116 -12.743 136.57 -102.931 136.57 192.4 GPRESSURE: 102000 141.08 -169.259 -123.997 -104.183 2.8141 137.789 -112.752 128.445 178.581 PRESSAVG: 102000 9.96305 -4.93654 -36.5548 -4.93655 25.0151 20.3611 -36.5547 20.3612 -1.22119 GPRESSAVG: 102000 10.3626 -5.15325 -32.7264 -3.48635 25.1193 19.5491 -37.377 20.4539 -1.71285 TIMING: 102000 CPU: 301.523, 0.00297456/step Wall: 301.523, 0.00297456/step, 4.04705 hours remaining, 204.402344 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: 102000 705.8127 2109.3209 1928.3530 111.3257 -206149.8311 17791.3633 0.0000 0.0000 34083.0962 -149420.5592 297.6562 -183503.6554 -149327.3578 298.7126 79.6188 107.4915 557350.8480 11.2523 11.2564 PRESSURE: 102200 -115.351 17.6162 -243.498 17.6152 -253.08 125.258 -243.499 125.259 72.179 GPRESSURE: 102200 -98.2012 135.772 -190.447 -70.3865 -197.67 114.408 -210.373 87.5366 92.9423 PRESSAVG: 102200 -18.2262 -15.338 -42.1111 -15.3379 -4.31904 61.2048 -42.111 61.2048 21.0476 GPRESSAVG: 102200 -17.5881 -12.4405 -45.1978 -15.7538 -4.61409 58.5087 -40.7128 62.4539 20.2122 TIMING: 102200 CPU: 302.113, 0.00295003/step Wall: 302.113, 0.00295003/step, 4.01352 hours remaining, 204.402344 MB of memory in use. ENERGY: 102200 764.4434 2083.8278 1933.9969 114.7321 -206209.0485 17723.4776 0.0000 0.0000 34230.9193 -149357.6514 298.9471 -183588.5707 -149267.6335 298.8582 -98.7507 -67.6430 556546.6447 -0.4992 -0.6633 PRESSURE: 102400 197.001 26.8229 32.791 26.8234 150.474 94.8624 32.7898 94.8614 175.037 GPRESSURE: 102400 273.951 -28.0766 -72.2791 54.6819 201.66 134.509 55.6565 13.0518 130.263 PRESSAVG: 102400 0.86687 -16.1853 23.1372 -16.1853 63.9287 -9.5277 23.1371 -9.52768 -52.2114 GPRESSAVG: 102400 -0.152076 -17.5455 23.5227 -18.3097 64.9296 -10.0964 22.9297 -11.2965 -52.5455 TIMING: 102400 CPU: 302.712, 0.00299613/step Wall: 302.712, 0.00299613/step, 4.07607 hours remaining, 204.402344 MB of memory in use. ENERGY: 102400 708.6640 2090.2662 1966.2208 117.9133 -206775.8782 18238.3481 0.0000 0.0000 34203.2763 -149451.1894 298.7057 -183654.4656 -149360.3651 298.7365 174.1708 201.9579 556522.2221 4.1947 4.0773 PRESSURE: 102600 -10.4976 -131.581 157.88 -131.582 -51.3863 137.17 157.88 137.17 -55.6785 GPRESSURE: 102600 -8.68956 -114.586 235.418 -86.8926 2.32169 224.049 72.3196 64.1421 -10.2354 PRESSAVG: 102600 -4.38549 -35.2709 40.4817 -35.2709 46.6067 -24.5751 40.4817 -24.575 27.547 GPRESSAVG: 102600 -3.73396 -34.0302 40.2978 -34.1971 45.752 -21.9185 42.4163 -23.484 28.4999 TIMING: 102600 CPU: 303.306, 0.00296707/step Wall: 303.306, 0.00296707/step, 4.03637 hours remaining, 204.402344 MB of memory in use. ENERGY: 102600 745.8307 2088.9883 1949.7785 103.2236 -206282.0678 17889.6298 0.0000 0.0000 34212.9892 -149291.6278 298.7905 -183504.6170 -149197.4479 299.5034 -39.1875 -5.5344 556540.0552 23.2561 23.5060 PRESSURE: 102800 87.4711 -56.3133 -24.051 -56.3145 131.974 -57.0031 -24.0508 -57.0027 220.633 GPRESSURE: 102800 118.544 36.6519 -17.8705 -131.652 220.271 -23.372 -31.4024 -83.6599 209.089 PRESSAVG: 102800 15.8535 -10.7091 10.2743 -10.7091 51.1688 37.6256 10.2743 37.6256 0.914507 GPRESSAVG: 102800 15.7933 -12.2488 8.7386 -9.71419 51.2227 34.8975 8.67973 38.6635 0.55305 TIMING: 102800 CPU: 303.899, 0.00296722/step Wall: 303.899, 0.00296722/step, 4.03641 hours remaining, 204.402344 MB of memory in use. ENERGY: 102800 710.4840 2079.2448 1958.6846 96.2798 -206423.9083 17932.5907 0.0000 0.0000 34429.4794 -149217.1452 300.6812 -183646.6245 -149121.9785 299.3490 146.6929 182.6346 557255.4023 22.6456 22.5230 PRESSURE: 103000 -136.17 150.508 -22.7152 150.509 10.044 -79.4251 -22.7142 -79.4252 117.178 GPRESSURE: 103000 -120.619 53.127 -107.213 131.62 9.93851 -128.226 9.4612 -46.5134 203.925 PRESSAVG: 103000 -7.89951 -24.8413 7.52603 -24.8412 42.5628 43.1595 7.52594 43.1595 -12.6634 GPRESSAVG: 103000 -7.22241 -24.5316 9.53539 -25.0196 42.289 43.2538 7.53354 42.0246 -13.2672 TIMING: 103000 CPU: 304.494, 0.0029736/step Wall: 304.494, 0.0029736/step, 4.04493 hours remaining, 204.402344 MB of memory in use. ENERGY: 103000 741.4914 2024.4801 1931.2535 120.4356 -206478.2372 17915.8904 0.0000 0.0000 34554.2084 -149190.4780 301.7705 -183744.6863 -149092.8781 300.1584 -2.9829 31.0816 557759.0928 7.3333 7.2664 PRESSURE: 103200 -124.772 -128.027 -23.8812 -128.027 -77.8266 -141.033 -23.8807 -141.033 -28.4723 GPRESSURE: 103200 -129.856 -39.4363 -51.9279 -142.849 -75.3344 -208.878 -64.6568 -196.513 64.5764 PRESSAVG: 103200 -41.7297 -31.612 -56.8859 -31.6121 -14.4527 -3.73747 -56.8858 -3.73735 19.7388 GPRESSAVG: 103200 -43.5091 -31.7653 -56.485 -31.8461 -13.858 -2.66596 -56.0368 -3.67252 20.3271 TIMING: 103200 CPU: 305.098, 0.00302209/step Wall: 305.098, 0.00302209/step, 4.11072 hours remaining, 204.402344 MB of memory in use. ENERGY: 103200 723.6769 2087.7285 1939.0252 105.0216 -206105.8603 17780.1156 0.0000 0.0000 34204.4600 -149265.8324 298.7161 -183470.2925 -149172.3108 298.9805 -77.0235 -46.8714 558425.0422 -12.1479 -12.3467 PRESSURE: 103400 136.437 -115.706 99.5173 -115.705 55.7618 -0.466004 99.5164 -0.46594 77.8811 GPRESSURE: 103400 207.428 -20.2218 155.633 -188.218 97.9627 -10.256 -15.4684 74.6433 63.7815 PRESSAVG: 103400 41.3862 -57.8159 9.77415 -57.8159 -28.6009 3.84423 9.77411 3.84413 -0.500973 GPRESSAVG: 103400 44.0355 -56.8506 9.12806 -58.0393 -29.3901 5.69719 8.23743 2.93699 -2.37089 TIMING: 103400 CPU: 305.698, 0.00299815/step Wall: 305.698, 0.00299815/step, 4.07798 hours remaining, 204.402344 MB of memory in use. ENERGY: 103400 721.2175 2101.1880 1965.3435 123.5413 -206472.7347 18029.6044 0.0000 0.0000 34340.4870 -149191.3530 299.9040 -183531.8400 -149094.3338 299.3971 90.0266 123.0573 557403.5796 4.0948 4.0915 PRESSURE: 103600 -162.626 -10.2272 25.206 -10.227 306.061 -40.6848 25.2063 -40.6853 -91.7394 GPRESSURE: 103600 -145.919 -48.2772 79.7844 -31.1277 338.185 11.5181 -19.4426 -82.5073 -57.0997 PRESSAVG: 103600 -63.2075 5.03535 46.9341 5.03534 23.2571 1.28902 46.934 1.28892 13.5763 GPRESSAVG: 103600 -65.0437 2.55794 46.9382 5.38017 23.5681 -1.98811 48.2763 2.40961 15.0349 TIMING: 103600 CPU: 306.296, 0.00298852/step Wall: 306.296, 0.00298852/step, 4.06472 hours remaining, 204.402344 MB of memory in use. ENERGY: 103600 713.8986 2057.9380 1945.6707 117.7617 -206190.6880 17910.5763 0.0000 0.0000 34268.1780 -149176.6647 299.2725 -183444.8427 -149082.2698 299.0110 17.2319 45.0553 558209.6792 -8.7914 -8.8136 PRESSURE: 103800 -24.524 124.421 -163.163 124.42 -76.7848 -33.3407 -163.164 -33.3434 184.556 GPRESSURE: 103800 15.2203 131.481 -158.817 105.452 -6.66993 -124.198 -109.232 12.6366 182.446 PRESSAVG: 103800 -18.2626 28.8602 -2.51143 28.8602 60.3672 4.53787 -2.51147 4.53777 4.24382 GPRESSAVG: 103800 -18.7814 31.1745 -3.59002 26.8249 61.1392 6.1969 -2.14235 3.33114 3.36386 TIMING: 103800 CPU: 306.885, 0.0029476/step Wall: 306.885, 0.0029476/step, 4.0089 hours remaining, 204.402344 MB of memory in use. ENERGY: 103800 753.3008 2039.7679 1965.1826 128.4709 -205786.9763 17677.5179 0.0000 0.0000 34195.4556 -149027.2805 298.6374 -183222.7361 -148936.0944 299.3628 27.7490 63.6655 557919.0137 15.4495 15.2405 PRESSURE: 104000 -84.9863 193.579 -31.43 193.578 -18.9447 -4.1701 -31.4311 -4.17088 -48.8698 GPRESSURE: 104000 -40.4318 178.451 -134.611 212.749 -9.91402 -19.1387 -18.9154 8.66164 -10.7898 PRESSAVG: 104000 7.39352 30.7129 -41.6819 30.7129 -31.8694 -1.95351 -41.6819 -1.9536 29.3661 GPRESSAVG: 104000 8.01064 29.7029 -41.8638 31.1008 -32.0107 -3.93055 -41.7089 -0.0746222 28.8821 TIMING: 104000 CPU: 307.475, 0.00294771/step Wall: 307.475, 0.00294771/step, 4.00889 hours remaining, 204.402344 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: 104000 746.0022 2131.5830 1975.8849 112.2845 -205979.7913 17702.0768 0.0000 0.0000 34207.5604 -149104.3994 298.7431 -183311.9598 -149014.6121 299.4355 -50.9336 -20.3786 558037.4033 1.6301 1.6274 PRESSURE: 104200 -318.423 56.2238 150.043 56.2238 45.4781 -149.269 150.043 -149.269 -27.081 GPRESSURE: 104200 -281.131 67.4571 205.599 13.8007 77.7966 -194.447 59.7312 -44.6442 3.22379 PRESSAVG: 104200 -14.8218 -10.4452 25.1884 -10.4452 -33.7758 36.6702 25.1885 36.6702 42.2126 GPRESSAVG: 104200 -16.6205 -10.4945 27.8832 -10.5338 -33.6332 38.4179 22.3674 35.7197 43.3582 TIMING: 104200 CPU: 308.064, 0.00294894/step Wall: 308.064, 0.00294894/step, 4.01039 hours remaining, 204.402344 MB of memory in use. ENERGY: 104200 759.6075 2101.8974 1929.9044 108.5585 -205852.9521 17569.2823 0.0000 0.0000 34329.0262 -149054.6758 299.8039 -183383.7020 -148956.4325 299.3858 -100.0088 -66.7037 557913.5812 -2.1283 -2.2985 LDB: ============= START OF LOAD BALANCING ============== 311.489 LDB: ============== END OF LOAD BALANCING =============== 311.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 311.491 LDB: ============= START OF LOAD BALANCING ============== 311.787 LDB: Largest compute 4848 load 0.027289 is 23.2% of average load 0.117727 LDB: Average compute 0.001727 is 1.5% of average load 0.117727 LDB: TIME 311.789 LOAD: AVG 0.117727 MAX 0.195927 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.152 MB LDB: TIME 311.789 LOAD: AVG 0.117727 MAX 0.195927 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.152 MB LDB: TIME 311.789 LOAD: AVG 0.117727 MAX 0.195927 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.152 MB LDB: ============== END OF LOAD BALANCING =============== 311.791 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 311.796 PRESSURE: 104400 316.878 -93.0342 34.1087 -93.0344 -113.649 149.425 34.1096 149.424 -121.946 GPRESSURE: 104400 297.503 -84.5378 -48.2398 -183.042 -47.2239 142.987 -9.7025 155.507 -74.2695 PRESSAVG: 104400 41.4613 -49.2813 31.4261 -49.2813 -8.23827 69.3405 31.4262 69.3405 -64.7673 GPRESSAVG: 104400 41.4623 -49.1298 31.0937 -50.121 -7.98658 68.7918 33.9318 69.0219 -64.8466 TIMING: 104400 CPU: 308.666, 0.00300793/step Wall: 308.666, 0.00300793/step, 4.09045 hours remaining, 204.910156 MB of memory in use. ENERGY: 104400 733.8412 2076.0227 1931.6184 110.1352 -205732.8007 17595.6453 0.0000 0.0000 34315.8962 -148969.6417 299.6893 -183285.5379 -148875.6266 299.8329 27.0943 58.6699 557244.0231 -10.5148 -10.4570 PRESSURE: 104600 161.782 131.947 23.7745 131.948 -211.598 253.693 23.775 253.692 -112.065 GPRESSURE: 104600 122.007 110.934 73.141 202.468 -170.625 241.326 30.3881 224.786 -23.9999 PRESSAVG: 104600 62.1442 -38.5447 -10.5871 -38.5448 39.7802 64.535 -10.5871 64.5351 -100.942 GPRESSAVG: 104600 63.3952 -39.1392 -12.2897 -39.4738 38.4325 66.1381 -11.6558 65.2484 -100.763 TIMING: 104600 CPU: 309.261, 0.00297396/step Wall: 309.261, 0.00297396/step, 4.04409 hours remaining, 205.113281 MB of memory in use. ENERGY: 104600 742.1214 2100.1848 1961.5302 104.4686 -205577.0897 17539.2772 0.0000 0.0000 34119.3543 -149010.1532 297.9728 -183129.5075 -148917.3855 299.5196 -53.9604 -24.2059 557400.4083 0.3276 0.3549 PRESSURE: 104800 8.93913 113.194 -79.6157 113.194 21.1881 13.9482 -79.6144 13.9478 -368.189 GPRESSURE: 104800 -26.2857 157.669 -9.10848 170.787 101.763 10.8076 -162.214 46.5951 -329.039 PRESSAVG: 104800 67.5157 -9.96091 17.346 -9.96096 55.9962 -5.77949 17.3459 -5.77948 -110.228 GPRESSAVG: 104800 67.3782 -9.94287 19.8139 -6.79975 56.2719 -6.96232 18.4878 -6.14476 -110.548 TIMING: 104800 CPU: 309.854, 0.00296688/step Wall: 309.854, 0.00296688/step, 4.0343 hours remaining, 205.113281 MB of memory in use. ENERGY: 104800 750.4784 2105.1528 1947.1360 105.3259 -205778.2163 17548.8560 0.0000 0.0000 34366.9235 -148954.3437 300.1349 -183321.2672 -148858.1072 299.5894 -112.6874 -84.5206 557023.3356 4.4278 4.3674 PRESSURE: 105000 -169.57 -7.62029 -11.4504 -7.61933 65.5174 -9.53457 -11.4499 -9.53532 215.613 GPRESSURE: 105000 -136.616 -45.2603 -60.3214 28.5226 134.618 28.9756 47.7058 -57.9328 201.661 PRESSAVG: 105000 -38.7426 2.47444 57.248 2.47445 -7.31361 15.5416 57.248 15.5416 53.2271 GPRESSAVG: 105000 -38.3321 3.44947 55.6701 2.14578 -7.29964 17.6912 56.7867 14.4534 52.7321 TIMING: 105000 CPU: 310.445, 0.00295617/step Wall: 310.445, 0.00295617/step, 4.01957 hours remaining, 205.113281 MB of memory in use. ENERGY: 105000 753.2681 2097.3922 1968.2303 121.1141 -205875.8863 17672.8487 0.0000 0.0000 34046.7496 -149216.2833 297.3387 -183263.0329 -149108.9155 299.1532 37.1869 66.5542 556910.6305 2.3903 2.3668 PRESSURE: 105200 264.625 -29.7001 -210.657 -29.7007 238.582 136.081 -210.656 136.082 -28.1974 GPRESSURE: 105200 262.088 -21.5893 -156.169 -66.6412 260.216 123.133 -238.13 151.707 51.913 PRESSAVG: 105200 3.12672 -25.7623 -26.604 -25.7623 35.278 33.4651 -26.6041 33.4651 14.1629 GPRESSAVG: 105200 2.02855 -25.9998 -25.4457 -27.1459 35.4075 31.8856 -27.6172 35.8045 14.7649 TIMING: 105200 CPU: 311.038, 0.00296295/step Wall: 311.038, 0.00296295/step, 4.02863 hours remaining, 205.113281 MB of memory in use. ENERGY: 105200 688.2096 2126.0289 1950.9103 124.8465 -206213.4320 17874.3001 0.0000 0.0000 34175.1272 -149274.0095 298.4599 -183449.1367 -149177.2028 298.9193 158.3365 191.4057 557013.4402 17.5226 17.4003 PRESSURE: 105400 -199.54 -35.3122 -102.218 -35.3106 -157.451 94.8007 -102.217 94.802 -295.044 GPRESSURE: 105400 -120.789 10.9151 -109.021 -96.7778 -141.969 95.2866 -76.7247 80.0817 -294.187 PRESSAVG: 105400 11.2412 -64.6652 -32.2784 -64.6651 -5.23805 15.7041 -32.2783 15.704 -1.45289 GPRESSAVG: 105400 12.6213 -64.7225 -34.1588 -63.1582 -5.81709 17.9127 -30.5527 14.3853 -1.89875 TIMING: 105400 CPU: 311.627, 0.00294675/step Wall: 311.627, 0.00294675/step, 4.00643 hours remaining, 205.113281 MB of memory in use. ENERGY: 105400 774.1808 2080.6357 1954.7498 98.2265 -205763.2191 17466.3808 0.0000 0.0000 34172.0947 -149216.9509 298.4334 -183389.0456 -149114.6632 298.5265 -217.3448 -185.6485 558097.7382 1.5167 1.6352 PRESSURE: 105600 -13.4702 29.3458 69.9818 29.3455 -140.471 -23.356 69.9817 -23.3553 -88.5423 GPRESSURE: 105600 -29.657 79.1455 99.8106 89.9851 -25.8397 -50.9729 -9.46078 52.3643 -82.4997 PRESSAVG: 105600 39.869 -22.4604 -29.602 -22.4604 -46.4755 23.3188 -29.6019 23.3188 16.7604 GPRESSAVG: 105600 39.3905 -21.5765 -28.8154 -23.3546 -45.4727 21.2068 -32.0402 23.2835 15.7715 TIMING: 105600 CPU: 312.22, 0.00296453/step Wall: 312.22, 0.00296453/step, 4.03044 hours remaining, 205.113281 MB of memory in use. ENERGY: 105600 762.3213 2072.7897 1956.8776 106.8979 -206132.8029 17878.4322 0.0000 0.0000 34101.0776 -149254.4065 297.8132 -183355.4842 -149156.4745 298.1830 -80.8279 -45.9988 556901.8862 3.3846 3.2297 PRESSURE: 105800 -53.8417 -33.2844 -81.1267 -33.2836 75.9244 -71.2398 -81.1277 -71.2395 -223.264 GPRESSURE: 105800 -60.6652 -22.4782 -156.366 -32.0931 97.8274 -36.3266 -43.5243 -63.3099 -149.119 PRESSAVG: 105800 23.2583 46.6357 10.6159 46.6357 7.66285 -4.32876 10.6158 -4.32868 1.16136 GPRESSAVG: 105800 23.9412 46.2322 10.0431 46.6808 5.83921 -4.36111 12.5129 -5.19418 2.65113 TIMING: 105800 CPU: 312.815, 0.00297553/step Wall: 312.815, 0.00297553/step, 4.04523 hours remaining, 205.113281 MB of memory in use. ENERGY: 105800 743.6366 2154.5169 1974.2264 108.0599 -205923.8539 17749.7671 0.0000 0.0000 34047.7029 -149145.9442 297.3471 -183193.6470 -149046.8759 298.5354 -67.0603 -37.3191 557684.9410 10.6942 10.8105 PRESSURE: 106000 98.6753 -64.5896 -87.9872 -64.5894 -54.4249 -52.2118 -87.986 -52.2122 89.4111 GPRESSURE: 106000 138.404 -209.619 -137.502 -37.7891 -14.1736 -59.6908 -104.4 -36.5706 106.123 PRESSAVG: 106000 4.12376 -51.326 -41.6582 -51.326 -25.3526 21.61 -41.6583 21.6101 23.1523 GPRESSAVG: 106000 4.19364 -51.8078 -42.4946 -51.1086 -24.1542 20.0876 -42.7301 23.8451 22.5252 TIMING: 106000 CPU: 313.41, 0.00297343/step Wall: 313.41, 0.00297343/step, 4.04221 hours remaining, 205.113281 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: 106000 750.8740 2120.0026 1949.0151 104.0545 -206273.1858 17904.6894 0.0000 0.0000 34408.6903 -149035.8598 300.4997 -183444.5502 -148931.0886 299.6890 44.5539 76.7846 557602.7191 0.6412 0.8549 PRESSURE: 106200 -11.4403 -180.107 9.61569 -180.106 -282.928 -122.273 9.61512 -122.273 -187.268 GPRESSURE: 106200 15.1041 -146.238 47.0685 -221.332 -268.428 -71.9223 -10.597 -123.601 -138.405 PRESSAVG: 106200 27.4054 -9.53695 -9.70408 -9.53693 -43.7786 -12.3352 -9.70417 -12.3353 -1.9497 GPRESSAVG: 106200 26.3354 -8.48094 -10.2974 -11.675 -42.7176 -9.92241 -7.25002 -14.429 -2.87364 TIMING: 106200 CPU: 313.997, 0.00293621/step Wall: 313.997, 0.00293621/step, 3.99146 hours remaining, 205.113281 MB of memory in use. ENERGY: 106200 724.9488 2072.1754 1934.5949 110.2303 -205792.4928 17502.9553 0.0000 0.0000 34416.6634 -149030.9249 300.5693 -183447.5883 -148938.7119 299.6144 -160.5455 -130.5763 557878.3728 -6.1077 -6.4186 PRESSURE: 106400 -70.8226 143.106 53.6429 143.106 -78.943 -53.1766 53.6424 -53.1788 -154.48 GPRESSURE: 106400 -49.214 165.351 4.15545 94.1007 -10.2744 -47.8853 34.3921 -26.3201 -135.908 PRESSAVG: 106400 53.574 36.5858 11.3654 36.5858 2.39308 -53.029 11.3653 -53.029 -31.3273 GPRESSAVG: 106400 52.5747 36.7862 12.5119 39.0439 2.79902 -53.7927 9.98314 -51.6749 -30.8389 TIMING: 106400 CPU: 314.592, 0.00297342/step Wall: 314.592, 0.00297342/step, 4.04186 hours remaining, 205.113281 MB of memory in use. ENERGY: 106400 740.1081 2060.0927 1961.5548 114.0775 -205856.7869 17623.4829 0.0000 0.0000 34535.9093 -148821.5616 301.6107 -183357.4709 -148722.2833 299.1815 -101.4151 -65.1322 557368.7029 8.2132 8.1783 PRESSURE: 106600 -58.0189 62.9742 78.5298 62.9749 -8.08235 98.9409 78.5298 98.9413 -169.935 GPRESSURE: 106600 -49.0753 -26.8467 51.9303 118.132 -5.47049 0.302314 167.848 163.159 -85.4678 PRESSAVG: 106600 7.99229 -4.18211 -5.22583 -4.18201 -3.19234 -25.2805 -5.22581 -25.2805 1.97472 GPRESSAVG: 106600 8.85455 -6.35985 -3.33335 -3.43606 -4.09762 -24.9657 -6.78799 -24.7967 1.93531 TIMING: 106600 CPU: 315.188, 0.00297983/step Wall: 315.188, 0.00297983/step, 4.05042 hours remaining, 205.113281 MB of memory in use. ENERGY: 106600 759.1517 2128.3874 1976.5473 119.3137 -205690.3829 17530.0550 0.0000 0.0000 34157.1426 -149019.7851 298.3028 -183176.9277 -148925.1959 300.2802 -78.6789 -46.6712 556687.9077 2.2582 2.2307 PRESSURE: 106800 -78.6136 -27.2534 -51.4032 -27.2523 32.1122 -61.3448 -51.4031 -61.3442 -24.2266 GPRESSURE: 106800 -35.1823 -31.305 -6.61442 -133.356 82.5751 15.0381 -40.5943 -71.4814 -16.7291 PRESSAVG: 106800 18.5575 -46.6295 15.5743 -46.6295 24.3775 10.8555 15.5743 10.8556 -22.9861 GPRESSAVG: 106800 20.1361 -45.8985 12.809 -48.3493 23.8236 10.0769 17.3881 10.0205 -23.7005 TIMING: 106800 CPU: 315.781, 0.002966/step Wall: 315.781, 0.002966/step, 4.03145 hours remaining, 205.113281 MB of memory in use. ENERGY: 106800 767.1758 2138.3329 1976.1479 134.3651 -205762.2341 17603.5813 0.0000 0.0000 34143.8974 -148998.7337 298.1871 -183142.6311 -148898.6950 299.6034 -23.5760 10.2212 557307.7574 6.6496 6.7531 PRESSURE: 107000 34.619 58.6281 117.862 58.6286 229.39 167.432 117.862 167.431 71.214 GPRESSURE: 107000 94.6066 24.0994 173.123 87.3592 258.724 176.139 38.0056 133.14 87.4454 PRESSAVG: 107000 -15.8486 -52.4036 32.0445 -52.4036 -27.5507 21.4874 32.0445 21.4874 8.7302 GPRESSAVG: 107000 -17.0231 -52.8892 32.3629 -53.0229 -27.3818 22.0174 31.0535 21.6582 9.40744 TIMING: 107000 CPU: 316.372, 0.00295475/step Wall: 316.372, 0.00295475/step, 4.016 hours remaining, 205.113281 MB of memory in use. ENERGY: 107000 759.8029 2104.1601 1952.6001 125.0888 -206051.4728 17990.3780 0.0000 0.0000 34246.7486 -148872.6944 299.0854 -183119.4430 -148779.2271 299.7203 111.7410 146.9255 558454.1962 -11.5564 -11.6658 PRESSURE: 107200 145.753 16.7361 -70.6326 16.7371 -58.1017 -31.876 -70.6328 -31.877 132.429 GPRESSURE: 107200 210.752 63.0167 -77.6953 20.1152 -50.8703 -58.9237 -12.6196 -42.6717 165.259 PRESSAVG: 107200 45.3454 6.78643 0.538239 6.78641 -25.9403 58.2619 0.538253 58.2619 -16.6208 GPRESSAVG: 107200 45.324 7.82493 -0.370799 6.67137 -26.8623 58.6491 2.01008 57.352 -16.2499 TIMING: 107200 CPU: 316.964, 0.00295946/step Wall: 316.964, 0.00295946/step, 4.02224 hours remaining, 205.113281 MB of memory in use. ENERGY: 107200 738.8255 2118.3987 1986.9422 118.2645 -206124.9290 17843.2996 0.0000 0.0000 34407.5628 -148911.6358 300.4898 -183319.1987 -148815.5245 299.4051 73.3604 108.3802 558133.6993 0.9281 0.7373 PRESSURE: 107400 128.634 -29.4326 46.3795 -29.4325 37.4033 90.7616 46.3806 90.7614 -138.22 GPRESSURE: 107400 167.608 -56.9554 6.41383 -44.3356 85.9553 -0.42721 69.8326 88.3373 -130.043 PRESSAVG: 107400 -4.5885 -21.5131 -3.77927 -21.5131 42.0682 16.3638 -3.77939 16.3638 -45.9885 GPRESSAVG: 107400 -4.14047 -21.7702 -2.40504 -20.8783 41.9558 15.2042 -3.75015 17.4536 -46.3148 TIMING: 107400 CPU: 317.558, 0.00296957/step Wall: 317.558, 0.00296957/step, 4.03581 hours remaining, 205.113281 MB of memory in use. ENERGY: 107400 756.3776 2137.0334 1983.7044 120.0151 -206285.4929 17962.8876 0.0000 0.0000 34455.0104 -148870.4643 300.9042 -183325.4747 -148768.9935 300.0503 9.2724 41.1735 558694.6384 -2.8363 -2.8332 PRESSURE: 107600 30.2096 -41.752 19.042 -41.7519 -140.04 26.5555 19.0428 26.5531 261.487 GPRESSURE: 107600 62.5331 -6.65279 133.365 -24.558 -114.216 63.2551 -31.5942 -2.53233 285.487 PRESSAVG: 107600 2.99463 -28.9418 -60.4403 -28.9418 -8.96595 -8.44316 -60.4402 -8.44319 46.139 GPRESSAVG: 107600 2.91557 -29.3042 -58.7265 -29.2093 -8.25333 -7.80267 -61.7454 -6.9443 45.3446 TIMING: 107600 CPU: 318.152, 0.00297274/step Wall: 318.152, 0.00297274/step, 4.03995 hours remaining, 205.113281 MB of memory in use. ENERGY: 107600 731.3587 2070.5094 1958.3692 113.7475 -205902.6744 17732.7039 0.0000 0.0000 34466.5867 -148829.3991 301.0053 -183295.9857 -148725.6516 300.3408 50.5522 77.9345 558017.8977 13.3892 13.3356 PRESSURE: 107800 259.976 79.607 180.873 79.607 -129.68 -61.2016 180.872 -61.2005 -251.206 GPRESSURE: 107800 323.861 131.755 176.102 28.4019 -176.338 -141.48 112.894 -34.2636 -181.475 PRESSAVG: 107800 -1.23144 -29.7497 -4.24641 -29.7498 7.80769 -27.3354 -4.24637 -27.3354 20.9917 GPRESSAVG: 107800 -1.76004 -29.8463 -6.84703 -28.5565 7.77816 -27.5908 -3.23831 -26.7272 21.6666 TIMING: 107800 CPU: 318.746, 0.00296888/step Wall: 318.746, 0.00296888/step, 4.03454 hours remaining, 205.113281 MB of memory in use. ENERGY: 107800 751.6301 2089.6044 1961.0167 105.7465 -205785.9374 17646.6684 0.0000 0.0000 34335.1398 -148896.1315 299.8573 -183231.2713 -148793.7419 300.0538 -40.3031 -11.3174 558609.2396 9.1893 9.2282 PRESSURE: 108000 -173.016 34.8597 20.1692 34.8587 72.4963 -19.6943 20.1696 -19.6931 221.227 GPRESSURE: 108000 -144.009 79.4807 -79.623 -7.98284 104.293 26.2124 87.6108 -43.7286 253.754 PRESSAVG: 108000 -16.6881 32.6691 2.70168 32.6691 31.0316 -33.4351 2.70169 -33.4352 -22.7931 GPRESSAVG: 108000 -16.1018 31.8764 3.05009 32.344 29.6928 -30.9318 2.18199 -37.7341 -22.6104 TIMING: 108000 CPU: 319.337, 0.00295574/step Wall: 319.337, 0.00295574/step, 4.01652 hours remaining, 205.113281 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: 108000 767.3363 2142.5700 1977.0093 110.5115 -205955.4273 17823.3699 0.0000 0.0000 34183.8290 -148950.8014 298.5359 -183134.6303 -148859.1238 299.3864 40.2359 71.3459 558082.5569 -2.8165 -3.0065 PRESSURE: 108200 -126.068 -229.699 -290.002 -229.699 -369.765 -52.2529 -290.001 -52.2539 181.854 GPRESSURE: 108200 -126.337 -242.901 -230.865 -240.387 -365.733 -64.6197 -334.059 -26.4404 259.185 PRESSAVG: 108200 12.1505 -6.0308 -35.1862 -6.03075 -12.5931 0.468689 -35.1862 0.468685 16.2616 GPRESSAVG: 108200 11.326 -5.01814 -35.399 -8.24417 -10.3177 0.516068 -36.1604 1.95271 14.8921 TIMING: 108200 CPU: 319.926, 0.00294491/step Wall: 319.926, 0.00294491/step, 4.00164 hours remaining, 205.113281 MB of memory in use. ENERGY: 108200 791.2220 2105.6853 1975.8301 103.6622 -205726.2443 17542.0948 0.0000 0.0000 34406.2330 -148801.5168 300.4782 -183207.7499 -148712.0970 300.2814 -104.6597 -77.6283 557533.4362 5.2730 5.3001 LDB: ============= START OF LOAD BALANCING ============== 323.352 LDB: ============== END OF LOAD BALANCING =============== 323.352 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 323.353 LDB: ============= START OF LOAD BALANCING ============== 323.648 LDB: Largest compute 4848 load 0.027367 is 23.3% of average load 0.117703 LDB: Average compute 0.001723 is 1.5% of average load 0.117703 LDB: TIME 323.65 LOAD: AVG 0.117703 MAX 0.194254 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.094 MB LDB: TIME 323.65 LOAD: AVG 0.117703 MAX 0.194254 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.094 MB LDB: TIME 323.65 LOAD: AVG 0.117703 MAX 0.194254 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.094 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 323.652 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 323.656 PRESSURE: 108400 52.9011 30.8365 31.7442 30.8362 -230.415 111.59 31.7433 111.589 8.91895 GPRESSURE: 108400 81.4218 29.1528 55.1048 56.7734 -161.144 85.4115 67.2499 160.654 10.9957 PRESSAVG: 108400 2.1232 31.9473 5.4683 31.9474 3.08276 32.005 5.46825 32.005 -28.2818 GPRESSAVG: 108400 2.90336 30.4539 6.15928 34.4322 0.918106 29.6249 7.23669 33.2146 -27.0563 TIMING: 108400 CPU: 320.527, 0.00300124/step Wall: 320.527, 0.00300124/step, 4.07802 hours remaining, 202.292969 MB of memory in use. ENERGY: 108400 758.3431 2097.8263 1967.0262 112.0605 -205789.6248 17587.9343 0.0000 0.0000 34467.9065 -148798.5279 301.0168 -183266.4344 -148705.6267 299.9374 -56.1984 -22.9088 556746.9290 -7.6919 -7.7449 PRESSURE: 108600 96.8379 -21.2754 29.8678 -21.2768 212.994 83.8315 29.8667 83.8318 38.5473 GPRESSURE: 108600 123.416 1.03953 15.996 16.3427 223.11 133.507 2.97748 56.9884 108.385 PRESSAVG: 108600 5.2859 24.3916 34.2418 24.3916 26.4136 37.4596 34.2417 37.4596 -16.1566 GPRESSAVG: 108600 4.79461 25.1255 34.2392 24.9424 26.9632 37.7445 33.0133 36.2491 -16.8678 TIMING: 108600 CPU: 321.117, 0.00295419/step Wall: 321.117, 0.00295419/step, 4.01392 hours remaining, 202.292969 MB of memory in use. ENERGY: 108600 758.0639 2059.0372 1986.7944 106.8355 -205924.8770 17773.8135 0.0000 0.0000 34565.0958 -148675.2367 301.8656 -183240.3325 -148576.0651 300.8058 116.1266 151.6372 557246.8462 5.1810 4.9633 PRESSURE: 108800 23.8045 105.816 12.2233 105.816 2.09843 194.722 12.2234 194.721 -88.737 GPRESSURE: 108800 29.8021 67.1188 25.6802 122.128 20.5741 127.617 -14.0053 246.396 -20.3671 PRESSAVG: 108800 0.93302 26.3342 6.89698 26.3341 32.8978 37.8402 6.89698 37.8402 -48.2807 GPRESSAVG: 108800 0.993255 27.2748 6.53173 24.4436 33.4989 36.6978 8.53126 39.7286 -48.3942 TIMING: 108800 CPU: 321.709, 0.00295604/step Wall: 321.709, 0.00295604/step, 4.01627 hours remaining, 202.292969 MB of memory in use. ENERGY: 108800 769.6966 2092.4944 1953.6301 106.3642 -206047.0845 17782.9393 0.0000 0.0000 34443.8554 -148898.1045 300.8068 -183341.9599 -148794.8451 300.2683 -20.9447 10.0030 556471.4896 -4.8166 -4.6340 PRESSURE: 109000 132.364 82.0881 19.5497 82.0886 3.59155 -25.755 19.55 -25.7554 -228.895 GPRESSURE: 109000 129.624 90.5263 31.5225 82.8172 58.953 -25.7011 -60.131 -42.3884 -179.385 PRESSAVG: 109000 -18.5732 20.9902 -13.219 20.9903 30.1056 -12.7713 -13.219 -12.7712 -36.06 GPRESSAVG: 109000 -18.2772 21.6944 -14.5935 20.1981 29.8919 -12.6513 -14.6695 -12.6248 -36.3953 TIMING: 109000 CPU: 322.303, 0.00297082/step Wall: 322.303, 0.00297082/step, 4.03619 hours remaining, 202.292969 MB of memory in use. ENERGY: 109000 751.6462 2103.4735 1956.5514 110.6145 -205800.8421 17639.5965 0.0000 0.0000 34334.9195 -148904.0405 299.8554 -183238.9600 -148810.0178 299.9241 -30.9799 3.0639 557609.1297 -8.1759 -8.2602 PRESSURE: 109200 -100.626 -64.0514 69.1888 -64.0509 -336.686 188.395 69.1883 188.396 -281.201 GPRESSURE: 109200 -162.884 -77.6092 -25.3028 -80.9633 -232.588 195.43 168.005 88.989 -221.93 PRESSAVG: 109200 48.1044 19.2617 -8.16235 19.2616 36.547 -35.4566 -8.1623 -35.4567 -46.3151 GPRESSAVG: 109200 47.0267 18.7743 -8.04314 20.7638 37.2813 -32.8373 -6.48517 -36.4065 -46.0902 TIMING: 109200 CPU: 322.897, 0.00297179/step Wall: 322.897, 0.00297179/step, 4.03734 hours remaining, 202.292969 MB of memory in use. ENERGY: 109200 741.0665 2132.9467 1971.0285 113.0315 -205673.2283 17440.2370 0.0000 0.0000 34495.2822 -148779.6358 301.2559 -183274.9180 -148682.8595 299.9952 -239.5043 -205.8004 558922.4296 12.7788 12.7393 PRESSURE: 109400 -184.04 -19.5584 -55.3576 -19.558 64.3875 -8.32783 -55.3581 -8.32665 -322.819 GPRESSURE: 109400 -127.203 9.47623 -59.4208 -37.0737 49.1255 12.9074 -94.3341 -14.6178 -276.925 PRESSAVG: 109400 -9.61187 -37.8286 14.8047 -37.8286 16.292 34.0669 14.8046 34.0671 4.0605 GPRESSAVG: 109400 -9.28636 -37.5405 17.1588 -38.847 15.2177 31.2461 13.6552 35.2646 4.24516 TIMING: 109400 CPU: 323.487, 0.00295061/step Wall: 323.487, 0.00295061/step, 4.0084 hours remaining, 202.292969 MB of memory in use. ENERGY: 109400 736.7624 2085.6077 1978.3876 119.7429 -205767.8583 17668.2922 0.0000 0.0000 34321.5030 -148857.5625 299.7382 -183179.0655 -148767.9680 300.6435 -147.4902 -118.3343 558908.7942 3.5802 3.3922 PRESSURE: 109600 76.7202 115.155 165.631 115.154 80.2874 -100.129 165.632 -100.128 42.8605 GPRESSURE: 109600 120.183 109.671 179.457 97.6477 86.0585 -127.36 184.434 -50.2882 73.1531 PRESSAVG: 109600 44.4324 33.8231 18.0315 33.8231 79.3797 14.6866 18.0314 14.6866 -92.1554 GPRESSAVG: 109600 44.1679 33.4816 15.6835 34.7462 79.4745 16.2821 18.9201 11.5462 -92.2735 TIMING: 109600 CPU: 324.078, 0.00295582/step Wall: 324.078, 0.00295582/step, 4.01532 hours remaining, 202.292969 MB of memory in use. ENERGY: 109600 718.4698 2065.3823 1990.1373 127.5101 -206070.6812 17751.7104 0.0000 0.0000 34358.1726 -149059.2988 300.0585 -183417.4714 -148960.7898 299.8212 66.6227 93.1317 556908.3304 10.5522 10.4563 PRESSURE: 109800 -157.493 71.1862 17.7722 71.1862 -180.022 -67.6755 17.7714 -67.6747 -42.3689 GPRESSURE: 109800 -106.081 24.786 -16.2863 3.86731 -172.662 -173.847 -33.5009 -65.2377 -1.07543 PRESSAVG: 109800 42.1234 -8.25394 -8.8958 -8.25394 -49.3169 -25.2506 -8.89575 -25.2506 -1.77051 GPRESSAVG: 109800 41.3941 -9.52041 -7.9924 -8.96034 -48.0218 -27.1902 -8.67597 -23.7498 -2.52937 TIMING: 109800 CPU: 324.665, 0.00293433/step Wall: 324.665, 0.00293433/step, 3.98595 hours remaining, 202.292969 MB of memory in use. ENERGY: 109800 746.3570 2079.2938 1964.2870 107.9020 -206330.9369 17874.8101 0.0000 0.0000 34513.1804 -149045.1065 301.4122 -183558.2869 -148945.3777 300.0528 -126.6281 -93.2729 557005.0022 -2.9880 -3.0524 PRESSURE: 110000 316.617 -112.919 -82.5135 -112.92 271.165 -172.197 -82.5131 -172.196 37.5249 GPRESSURE: 110000 301.399 -85.846 -13.1251 -148.99 276.322 -144.085 -85.3549 -102.125 144.591 PRESSAVG: 110000 26.3038 -29.9411 -16.6302 -29.9412 -17.3488 -36.4985 -16.6302 -36.4984 -24.7879 GPRESSAVG: 110000 27.4139 -29.1523 -15.3818 -29.0257 -19.0968 -36.5503 -19.7962 -34.9094 -23.7151 TIMING: 110000 CPU: 325.252, 0.00293493/step Wall: 325.252, 0.00293493/step, 3.98661 hours remaining, 202.292969 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: 110000 732.2907 2159.7149 1960.2692 108.2002 -206715.8654 18180.1120 0.0000 0.0000 34443.7576 -149131.5209 300.8059 -183575.2785 -149040.1935 299.6555 208.4355 240.7710 556992.1831 -5.2776 -5.1327 PRESSURE: 110200 -343.059 -84.7021 54.082 -84.7016 -11.8423 -67.0622 54.0815 -67.0636 -92.4326 GPRESSURE: 110200 -253.951 -72.3493 31.3843 -45.1412 31.514 -46.7417 56.201 -63.5946 -122.051 PRESSAVG: 110200 -35.9981 8.99468 2.32164 8.99464 33.348 18.0121 2.32154 18.0121 31.6688 GPRESSAVG: 110200 -35.4746 9.53563 1.85564 6.26566 33.9163 18.2487 4.40704 17.1433 30.8284 TIMING: 110200 CPU: 325.844, 0.00295929/step Wall: 325.844, 0.00295929/step, 4.01953 hours remaining, 202.292969 MB of memory in use. ENERGY: 110200 725.5017 2123.1058 2001.6028 130.3211 -205844.9390 17650.0682 0.0000 0.0000 34293.3524 -148920.9870 299.4924 -183214.3394 -148825.9639 299.5998 -149.1114 -114.8296 559624.8990 9.6729 9.7567 PRESSURE: 110400 -127.961 -64.0092 87.8043 -64.0088 -93.867 -14.5667 87.8047 -14.5648 -163.451 GPRESSURE: 110400 -72.4098 -119.219 134.075 24.9994 -60.7869 -27.2617 13.7337 -1.25945 -153.126 PRESSAVG: 110400 40.805 -44.8588 -71.2952 -44.8588 -39.1782 26.4165 -71.2952 26.4164 -14.3659 GPRESSAVG: 110400 40.7437 -45.3817 -72.104 -42.9036 -39.7592 27.117 -71.0738 24.5803 -13.6996 TIMING: 110400 CPU: 326.436, 0.00295695/step Wall: 326.436, 0.00295695/step, 4.0162 hours remaining, 202.292969 MB of memory in use. ENERGY: 110400 729.7118 2088.7662 1981.8844 120.3065 -205782.3928 17665.7815 0.0000 0.0000 34314.2674 -148881.6750 299.6750 -183195.9424 -148785.3746 299.8301 -128.4263 -95.4409 559901.3558 -4.2464 -4.2383 PRESSURE: 110600 208.791 -23.7123 -158.841 -23.7144 -84.8855 78.9142 -158.843 78.9142 -42.8641 GPRESSURE: 110600 162.192 37.1273 -145.382 -60.9753 -14.9836 64.0004 -124.64 90.6987 16.6387 PRESSAVG: 110600 3.45456 -17.7884 23.645 -17.7884 4.31744 75.4607 23.6449 75.4608 10.3074 GPRESSAVG: 110600 3.93443 -18.0292 25.9629 -16.6826 3.81229 74.5026 22.8066 76.7259 10.3787 TIMING: 110600 CPU: 327.025, 0.00294715/step Wall: 327.025, 0.00294715/step, 4.00272 hours remaining, 202.292969 MB of memory in use. ENERGY: 110600 731.9776 2080.2112 1932.4359 112.4216 -205977.6564 17839.3672 0.0000 0.0000 34423.4192 -148857.8237 300.6283 -183281.2429 -148758.7102 300.4705 27.0137 54.6157 558679.7180 6.0265 6.0418 PRESSURE: 110800 -279.225 -98.0878 2.72024 -98.0874 -92.452 83.6227 2.72042 83.622 -256.761 GPRESSURE: 110800 -186.649 -38.584 -41.8957 -51.1118 -68.6831 67.5033 70.868 40.6508 -275.823 PRESSAVG: 110800 17.9054 -1.20429 -64.1004 -1.2043 -7.14637 22.8673 -64.1003 22.8674 -52.3792 GPRESSAVG: 110800 18.2973 -0.281437 -63.9849 -3.66829 -7.42963 22.9703 -62.2965 22.4283 -52.301 TIMING: 110800 CPU: 327.618, 0.00296703/step Wall: 327.618, 0.00296703/step, 4.02956 hours remaining, 202.292969 MB of memory in use. ENERGY: 110800 772.6361 2064.6885 1966.5687 103.2940 -205871.6313 17469.7614 0.0000 0.0000 34343.4733 -149151.2093 299.9301 -183494.6827 -149047.9275 299.6195 -209.4795 -177.0517 558124.6564 -13.8734 -13.8111 PRESSURE: 111000 90.4019 29.5343 -2.71648 29.5341 61.0146 114.859 -2.71627 114.859 -185.98 GPRESSURE: 111000 153.7 16.5868 67.3635 90.3823 104.394 146.841 -79.1477 112.755 -188.52 PRESSAVG: 111000 35.5252 -25.2089 -86.2868 -25.2088 83.9077 13.7344 -86.2868 13.7344 -100.804 GPRESSAVG: 111000 35.173 -27.0312 -87.4169 -24.7033 85.2172 16.9719 -87.9815 12.8574 -101.639 TIMING: 111000 CPU: 328.211, 0.00296339/step Wall: 328.211, 0.00296339/step, 4.02445 hours remaining, 202.292969 MB of memory in use. ENERGY: 111000 800.3026 2052.6969 1954.0864 107.6636 -206066.0673 17887.8048 0.0000 0.0000 34252.4928 -149011.0201 299.1355 -183263.5129 -148918.6051 299.8362 -11.5213 23.1910 557178.2194 6.2096 6.2503 PRESSURE: 111200 -199.871 -181.858 62.2159 -181.858 173.17 -138.351 62.2138 -138.35 -183.716 GPRESSURE: 111200 -208.598 -105.583 120.784 -137.575 172.791 -193.986 33.2142 -107.735 -82.1232 PRESSAVG: 111200 26.3392 -26.5131 -16.9513 -26.5132 34.1054 47.1402 -16.9514 47.1402 -39.7439 GPRESSAVG: 111200 25.0137 -27.7864 -18.6098 -25.2796 33.5435 45.4812 -14.7835 46.6104 -37.5756 TIMING: 111200 CPU: 328.804, 0.00296264/step Wall: 328.804, 0.00296264/step, 4.02326 hours remaining, 202.292969 MB of memory in use. ENERGY: 111200 759.1494 2121.1113 1958.0273 118.9733 -206491.7382 17947.3189 0.0000 0.0000 34583.3287 -149003.8294 302.0248 -183587.1581 -148903.4393 300.1998 -70.1390 -39.3099 559638.3663 6.9002 6.9939 PRESSURE: 111400 220.658 87.9171 57.3203 87.9172 304.081 64.4246 57.3204 64.4253 -189.806 GPRESSURE: 111400 203.593 133.149 72.2882 110.077 339.493 115.062 42.5152 44.9749 -140.04 PRESSAVG: 111400 21.98 3.19833 -9.96312 3.19827 42.1535 -18.1848 -9.96315 -18.1847 -92.1368 GPRESSAVG: 111400 23.715 5.83391 -8.62337 0.397919 41.1485 -17.7763 -11.0453 -16.507 -93.0339 TIMING: 111400 CPU: 329.395, 0.00295665/step Wall: 329.395, 0.00295665/step, 4.01497 hours remaining, 202.292969 MB of memory in use. ENERGY: 111400 766.0621 2096.5242 1974.8401 111.8419 -206195.7361 18003.7634 0.0000 0.0000 34289.0963 -148953.6080 299.4552 -183242.7043 -148853.3882 300.0171 111.6443 134.3488 558078.4851 -9.3344 -9.3901 PRESSURE: 111600 -342.558 -18.413 28.923 -18.4131 -217.127 143.009 28.9228 143.008 -614.319 GPRESSURE: 111600 -314.599 -5.57635 -21.1692 -19.8607 -208.421 186.742 106.249 114.804 -544.181 PRESSAVG: 111600 -4.75464 32.5698 28.5006 32.5698 59.079 0.610217 28.5005 0.610219 -40.7454 GPRESSAVG: 111600 -4.92766 31.1288 27.79 34.5124 59.7467 -1.99931 26.4536 1.85861 -40.8263 TIMING: 111600 CPU: 329.982, 0.00293627/step Wall: 329.982, 0.00293627/step, 3.98713 hours remaining, 202.292969 MB of memory in use. ENERGY: 111600 768.3319 2131.9635 1968.8797 110.0549 -205176.6096 17225.1197 0.0000 0.0000 33956.8760 -149015.3840 296.5538 -182972.2599 -148922.4903 299.5767 -391.3346 -355.7339 560341.0232 4.5263 4.6642 PRESSURE: 111800 179.784 122.291 -241.268 122.291 171.823 93.4161 -241.267 93.4165 340.161 GPRESSURE: 111800 236.161 132.303 -183.367 65.7662 218.209 166.608 -257.365 -17.9111 337.711 PRESSAVG: 111800 10.3733 19.4687 -7.73988 19.4687 -10.3263 3.3786 -7.7399 3.37857 18.6562 GPRESSAVG: 111800 9.64267 19.6761 -6.03732 18.3444 -9.9123 4.97601 -8.77745 1.4318 18.6671 TIMING: 111800 CPU: 330.569, 0.0029334/step Wall: 330.569, 0.0029334/step, 3.98307 hours remaining, 202.292969 MB of memory in use. ENERGY: 111800 709.3344 2101.1729 1974.1860 108.1884 -206485.2746 18109.4767 0.0000 0.0000 34447.6470 -149035.2691 300.8399 -183482.9161 -148939.1583 299.9783 230.5895 264.0267 556143.8907 6.2344 6.1325 PRESSURE: 112000 -135.675 -75.9016 -72.4368 -75.9008 -293.686 63.6623 -72.4377 63.6626 -128.675 GPRESSURE: 112000 -102.127 -136.341 -126.918 -73.3995 -247.49 -14.379 -86.2467 39.5945 -107.011 PRESSAVG: 112000 14.703 -3.92907 -49.7689 -3.92913 -120.028 -19.004 -49.7689 -19.0042 62.4472 GPRESSAVG: 112000 14.7118 -2.27505 -50.6446 -3.93096 -119.693 -18.3937 -47.3373 -19.7461 61.8918 TIMING: 112000 CPU: 331.155, 0.00293005/step Wall: 331.155, 0.00293005/step, 3.97836 hours remaining, 202.292969 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: 112000 713.9648 2089.8361 1966.5239 103.8623 -205943.3996 17425.9573 0.0000 0.0000 34467.0257 -149176.2295 301.0091 -183643.2552 -149079.0289 299.8922 -186.0118 -152.2091 557788.6105 -14.2924 -14.3630 PRESSURE: 112200 88.4232 -1.4737 -63.9248 -1.47294 72.2913 -151.131 -63.9234 -151.131 -168.65 GPRESSURE: 112200 132.052 -6.8689 -52.3755 97.574 96.0658 -148.811 -96.1386 -132.947 -138.876 PRESSAVG: 112200 18.0174 -10.2749 9.86924 -10.2749 14.0427 30.868 9.86927 30.8679 -55.8822 GPRESSAVG: 112200 18.3222 -13.5438 7.65113 -8.01119 13.9467 29.6651 8.7337 31.8445 -55.7222 TIMING: 112200 CPU: 331.741, 0.00293084/step Wall: 331.741, 0.00293084/step, 3.97927 hours remaining, 202.292969 MB of memory in use. ENERGY: 112200 762.9979 2047.0065 1968.5132 114.2783 -206154.4037 17700.6663 0.0000 0.0000 34145.6134 -149415.3283 298.2021 -183560.9417 -149315.6084 299.3282 -2.6453 29.7471 557542.5892 -7.9407 -7.8178 LDB: ============= START OF LOAD BALANCING ============== 335.163 LDB: ============== END OF LOAD BALANCING =============== 335.163 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 335.165 LDB: ============= START OF LOAD BALANCING ============== 335.457 LDB: Largest compute 4848 load 0.029090 is 24.7% of average load 0.117684 LDB: Average compute 0.001730 is 1.5% of average load 0.117684 LDB: TIME 335.459 LOAD: AVG 0.117684 MAX 0.193867 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.344 MB LDB: TIME 335.46 LOAD: AVG 0.117684 MAX 0.193867 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.414 MB LDB: TIME 335.46 LOAD: AVG 0.117684 MAX 0.193867 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 335.462 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 335.466 PRESSURE: 112400 328.423 -55.6653 -37.9317 -55.6662 -81.387 57.4352 -37.9316 57.4343 -7.06876 GPRESSURE: 112400 273.454 -45.3538 -138.021 -89.1192 7.5935 55.2275 54.7503 60.8911 53.5412 PRESSAVG: 112400 28.6465 18.6587 -31.9617 18.6587 9.28391 55.1697 -31.9618 55.1697 -42.0849 GPRESSAVG: 112400 28.5693 20.4577 -29.5779 17.1283 8.89833 54.9863 -33.2607 58.0481 -41.3885 TIMING: 112400 CPU: 332.336, 0.00297481/step Wall: 332.336, 0.00297481/step, 4.0388 hours remaining, 202.800781 MB of memory in use. ENERGY: 112400 753.1718 2104.7400 1937.8052 112.7420 -206449.0577 18128.1756 0.0000 0.0000 34124.4372 -149287.9860 298.0172 -183412.4231 -149196.6292 298.3048 79.9892 111.5296 558327.6690 -1.3849 -1.3069 PRESSURE: 112600 11.6171 31.5505 11.2777 31.5502 69.2143 111.73 11.2773 111.729 -35.6613 GPRESSURE: 112600 23.0668 -67.0573 25.963 15.5024 90.7267 74.802 8.30048 85.9205 40.8424 PRESSAVG: 112600 34.2803 -20.805 -39.7583 -20.8051 8.60415 -26.0492 -39.7584 -26.0492 -44.4315 GPRESSAVG: 112600 34.9925 -20.8209 -41.2922 -22.1513 8.02948 -24.5224 -39.7563 -28.4137 -44.369 TIMING: 112600 CPU: 332.924, 0.00294103/step Wall: 332.924, 0.00294103/step, 3.99278 hours remaining, 202.800781 MB of memory in use. ENERGY: 112600 731.3605 2115.9374 1943.6054 123.0401 -206528.2762 17945.3022 0.0000 0.0000 34368.6360 -149300.3945 300.1498 -183669.0305 -149199.2553 299.3079 15.0567 51.5453 558705.2813 -0.5157 -0.4490 PRESSURE: 112800 -198.658 -62.1277 91.2994 -62.1268 -115.084 84.9386 91.2989 84.9388 85.7681 GPRESSURE: 112800 -174.244 -87.2574 89.8233 -4.046 -103.025 81.3528 122.226 112.278 148.526 PRESSAVG: 112800 -20.8898 -12.6613 5.0712 -12.6613 10.0904 42.1446 5.0713 42.1445 65.0591 GPRESSAVG: 112800 -21.0456 -12.9934 5.44271 -11.3839 10.9209 42.393 6.37966 42.2953 64.675 TIMING: 112800 CPU: 333.513, 0.00294354/step Wall: 333.513, 0.00294354/step, 3.99602 hours remaining, 202.855469 MB of memory in use. ENERGY: 112800 769.7148 2033.9207 1991.8776 103.7108 -206028.9046 17736.7777 0.0000 0.0000 34129.2261 -149263.6769 298.0590 -183392.9030 -149166.0351 299.0099 -75.9912 -42.9142 557297.2579 18.0866 18.1834 PRESSURE: 113000 -46.0279 52.5616 9.72924 52.5612 7.12424 48.6587 9.72873 48.6582 32.0517 GPRESSURE: 113000 -17.8246 -20.9641 -54.3273 98.1095 56.8577 21.8356 65.6309 43.7881 58.2786 PRESSAVG: 113000 -46.5019 -23.6435 -7.72062 -23.6435 26.7001 0.738431 -7.72058 0.738331 2.39539 GPRESSAVG: 113000 -46.4121 -23.1903 -8.02093 -24.3002 26.3524 0.254141 -9.17866 1.32475 2.51853 TIMING: 113000 CPU: 334.102, 0.00294734/step Wall: 334.102, 0.00294734/step, 4.00101 hours remaining, 202.855469 MB of memory in use. ENERGY: 113000 731.1597 2105.5226 2001.9112 122.0001 -206520.8958 17885.0237 0.0000 0.0000 34373.2949 -149301.9837 300.1905 -183675.2786 -149204.9529 298.7254 -2.2840 32.4372 555945.6878 -5.8021 -5.8470 PRESSURE: 113200 33.2089 -93.7712 -58.8786 -93.7712 -37.3599 8.40661 -58.8778 8.40723 -76.426 GPRESSURE: 113200 106.288 -131.926 8.30667 -47.3741 -3.86881 17.4597 -109.729 41.8999 -90.3288 PRESSAVG: 113200 37.3377 -76.9747 29.0561 -76.9746 -37.3772 15.0731 29.0561 15.0731 -10.2433 GPRESSAVG: 113200 37.8371 -76.6771 27.9271 -75.9238 -37.096 15.7495 32.7102 13.9225 -11.2361 TIMING: 113200 CPU: 334.689, 0.00293451/step Wall: 334.689, 0.00293451/step, 3.98344 hours remaining, 202.855469 MB of memory in use. ENERGY: 113200 761.7258 2121.1559 1930.5837 112.5244 -206326.9167 17726.4496 0.0000 0.0000 34439.9287 -149234.5486 300.7725 -183674.4773 -149139.4864 299.1744 -26.8590 4.0300 558213.7498 -3.4276 -3.4983 PRESSURE: 113400 -60.5065 -40.6563 -159.889 -40.6563 -93.201 -118.788 -159.892 -118.788 -225.11 GPRESSURE: 113400 -10.0608 -70.3135 -166.013 -34.8244 -105.525 -130.521 -146.41 -96.1293 -173.43 PRESSAVG: 113400 -14.701 -59.1293 -24.6646 -59.1293 15.704 5.54132 -24.6646 5.54143 -76.4737 GPRESSAVG: 113400 -15.6801 -60.632 -24.157 -57.7576 14.7512 5.09641 -25.327 7.08641 -74.9316 TIMING: 113400 CPU: 335.278, 0.00294466/step Wall: 335.278, 0.00294466/step, 3.99705 hours remaining, 202.855469 MB of memory in use. ENERGY: 113400 771.1446 2075.7222 1944.2169 104.5427 -206164.9351 17655.1430 0.0000 0.0000 34176.6527 -149437.5130 298.4732 -183614.1658 -149339.6024 298.3097 -126.2726 -96.3385 557144.3882 -25.1569 -25.2868 PRESSURE: 113600 -75.0926 -98.7342 12.3528 -98.7328 82.9139 -9.93909 12.3529 -9.93965 166.033 GPRESSURE: 113600 -29.0217 -39.8101 18.7182 -57.843 128.687 -107.239 67.7373 17.2945 172.918 PRESSAVG: 113600 37.0323 -52.4163 -16.5755 -52.4162 15.1312 32.8558 -16.5753 32.8559 -56.7402 GPRESSAVG: 113600 37.3307 -50.8449 -14.6989 -55.6526 16.265 34.9711 -18.2183 32.6379 -58.5294 TIMING: 113600 CPU: 335.866, 0.00293891/step Wall: 335.866, 0.00293891/step, 3.98908 hours remaining, 202.855469 MB of memory in use. ENERGY: 113600 747.5322 2159.5035 1940.9576 112.6145 -206496.1674 17903.1178 0.0000 0.0000 34228.7819 -149403.6600 298.9285 -183632.4419 -149308.7545 298.4974 57.9515 90.8614 556523.0159 -1.5256 -1.6446 PRESSURE: 113800 -222.875 120.065 4.34583 120.065 -240.354 -38.9566 4.34597 -38.9563 307.697 GPRESSURE: 113800 -183.079 170.5 -31.566 91.8964 -188.94 -34.4398 90.6874 -6.63654 303.146 PRESSAVG: 113800 19.2923 -22.3084 -39.6155 -22.3084 57.9554 21.7032 -39.6156 21.703 -56.0895 GPRESSAVG: 113800 19.4002 -21.9537 -41.1832 -20.6431 56.8338 19.8362 -37.0924 21.3871 -54.7007 TIMING: 113800 CPU: 336.458, 0.00296232/step Wall: 336.458, 0.00296232/step, 4.0207 hours remaining, 202.855469 MB of memory in use. ENERGY: 113800 741.8068 2122.7506 1946.9437 94.9147 -206260.9010 17779.9961 0.0000 0.0000 34294.0163 -149280.4727 299.4982 -183574.4890 -149173.9234 299.6200 -51.8441 -22.9576 558972.3337 7.0527 7.1777 PRESSURE: 114000 72.2306 39.4047 6.3256 39.4042 -57.0786 -18.5577 6.32536 -18.5594 66.4744 GPRESSURE: 114000 128.912 1.6098 29.3088 63.6428 -38.1226 -60.7717 -13.0308 -85.4333 84.0396 PRESSAVG: 114000 -22.6027 54.5597 1.85104 54.5595 14.3133 -34.13 1.8511 -34.1301 4.64421 GPRESSAVG: 114000 -23.714 55.047 2.44536 53.2852 16.3305 -36.6787 1.12267 -33.5737 3.81508 TIMING: 114000 CPU: 337.051, 0.00296265/step Wall: 337.051, 0.00296265/step, 4.02097 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: 114000 783.1421 2138.3038 1946.1354 114.3835 -206522.2960 17946.3255 0.0000 0.0000 34394.2863 -149199.7193 300.3739 -183594.0056 -149100.9756 299.4138 27.2088 58.2762 558176.7512 -1.2151 -1.1895 PRESSURE: 114200 61.2453 111.07 -117.159 111.071 233.497 18.6087 -117.16 18.6069 259.154 GPRESSURE: 114200 95.8113 110.467 -142.828 166.618 204.899 -23.8027 -155.442 63.4257 340.477 PRESSAVG: 114200 -3.7737 -42.0733 23.5963 -42.0734 -26.4509 -36.8389 23.5963 -36.839 46.662 GPRESSAVG: 114200 -3.54846 -45.3272 24.2365 -40.2362 -27.304 -37.0806 22.9316 -37.1617 48.0259 TIMING: 114200 CPU: 337.642, 0.00295384/step Wall: 337.642, 0.00295384/step, 4.00885 hours remaining, 202.855469 MB of memory in use. ENERGY: 114200 696.3311 2135.1018 1976.1040 119.2615 -206393.3224 18037.2666 0.0000 0.0000 34233.3885 -149195.8689 298.9687 -183429.2574 -149098.1369 298.9981 184.6321 213.7289 556840.1912 5.4791 5.7245 PRESSURE: 114400 -118.145 -18.0666 67.5752 -18.0667 -189.152 11.9959 67.5762 11.9972 250.386 GPRESSURE: 114400 -77.4978 -66.4255 3.83529 104.195 -139.976 -30.6541 116.694 44.0438 259.155 PRESSAVG: 114400 -46.0026 31.444 -32.0695 31.444 -15.4848 -21.8033 -32.0694 -21.8032 50.9379 GPRESSAVG: 114400 -45.4022 33.3234 -32.7995 31.4925 -15.6912 -19.1004 -30.8519 -23.0322 49.5279 TIMING: 114400 CPU: 338.237, 0.00297382/step Wall: 338.237, 0.00297382/step, 4.03581 hours remaining, 202.855469 MB of memory in use. ENERGY: 114400 724.9081 2069.7056 1982.6872 124.4578 -205928.7207 17718.6763 0.0000 0.0000 34270.3766 -149037.9091 299.2917 -183308.2856 -148942.7552 299.6738 -18.9704 13.8939 556886.5432 -3.5165 -3.8552 PRESSURE: 114600 -29.2322 -115.159 36.3434 -115.157 -245.306 -43.4429 36.344 -43.4428 152.954 GPRESSURE: 114600 5.47083 -28.2078 46.6897 -107.02 -257.753 -90.1645 -13.1908 46.3319 232.733 PRESSAVG: 114600 -34.9835 -19.4389 20.0627 -19.4389 -3.84961 7.59441 20.0627 7.59418 55.2819 GPRESSAVG: 114600 -34.5388 -18.4019 21.0646 -19.9262 -3.77939 5.38408 19.1939 9.53426 55.5459 TIMING: 114600 CPU: 338.828, 0.00295778/step Wall: 338.828, 0.00295778/step, 4.01387 hours remaining, 202.855469 MB of memory in use. ENERGY: 114600 773.4509 2065.3988 1939.7084 98.5586 -205842.8663 17679.7096 0.0000 0.0000 34326.1526 -148959.8874 299.7788 -183286.0400 -148867.9951 300.3818 -40.5281 -6.5165 558697.8419 5.4829 5.7426 PRESSURE: 114800 -266.369 -29.0174 -150.829 -29.0177 -173.364 30.4006 -150.829 30.3996 -193.344 GPRESSURE: 114800 -301.532 -82.1994 -179.942 7.85726 -23.0168 58.4136 -111.385 56.7394 -197.947 PRESSAVG: 114800 -12.7994 21.8967 6.06724 21.8967 58.8073 7.54374 6.06724 7.54365 -49.3902 GPRESSAVG: 114800 -11.9781 22.0045 3.98675 21.2822 58.4559 9.80128 6.87908 5.01355 -49.6577 TIMING: 114800 CPU: 339.422, 0.00296904/step Wall: 339.422, 0.00296904/step, 4.02899 hours remaining, 202.855469 MB of memory in use. ENERGY: 114800 749.2583 2089.6110 1938.5221 123.4565 -205750.5134 17458.7338 0.0000 0.0000 34355.6078 -149035.3238 300.0361 -183390.9316 -148946.2473 300.2870 -211.0256 -174.1652 559027.2214 -1.1275 -1.0599 PRESSURE: 115000 93.9181 138.369 -151.96 138.368 95.8137 43.8548 -151.958 43.8574 -66.5505 GPRESSURE: 115000 143.728 121.133 -108.914 105.119 112.768 18.7198 -196.975 66.3098 -28.5184 PRESSAVG: 115000 18.7766 34.17 -40.9806 34.17 36.1831 23.9057 -40.9805 23.9057 19.1516 GPRESSAVG: 115000 17.9654 32.5188 -39.4707 34.129 35.4718 24.1577 -40.8899 24.1357 20.5721 TIMING: 115000 CPU: 340.02, 0.00299052/step Wall: 340.02, 0.00299052/step, 4.05797 hours remaining, 202.855469 MB of memory in use. ENERGY: 115000 727.2311 2118.7266 1957.4925 110.8586 -206403.4415 17977.8498 0.0000 0.0000 34517.3685 -148993.9143 301.4488 -183511.2828 -148895.2634 300.2427 41.0604 75.9925 557595.1553 24.7038 24.6698 PRESSURE: 115200 159.593 -12.0775 -60.8713 -12.0778 227.659 172.691 -60.8724 172.692 476.751 GPRESSURE: 115200 189.718 -63.6025 -56.1249 18.7283 289.772 137.509 -56.9209 165.044 482.121 PRESSAVG: 115200 68.322 29.1569 -10.2703 29.1569 -37.8819 -0.0466936 -10.2703 -0.0465729 -39.5331 GPRESSAVG: 115200 67.8193 30.4517 -8.94701 30.0754 -35.0933 -2.60679 -11.7166 1.49936 -41.6787 TIMING: 115200 CPU: 340.619, 0.00299347/step Wall: 340.619, 0.00299347/step, 4.06181 hours remaining, 202.855469 MB of memory in use. ENERGY: 115200 725.7914 2067.9266 1957.4988 127.9236 -206247.5945 18137.3089 0.0000 0.0000 34432.1602 -148798.9850 300.7046 -183231.1452 -148696.6550 300.4549 288.0008 320.5370 557086.6404 -3.0310 -2.9842 PRESSURE: 115400 -248.289 -74.0428 -70.3077 -74.044 -73.3597 136.956 -70.3072 136.956 -55.4596 GPRESSURE: 115400 -231.861 -109.225 -56.0787 -100.722 -54.1197 56.3103 -79.1763 67.5634 6.499 PRESSAVG: 115400 -28.9918 22.6575 -16.9676 22.6575 -18.972 42.4376 -16.9675 42.4377 38.3758 GPRESSAVG: 115400 -28.1931 21.8165 -16.4123 22.4258 -20.636 44.6375 -15.4642 40.2981 38.9942 TIMING: 115400 CPU: 341.216, 0.0029864/step Wall: 341.216, 0.0029864/step, 4.05204 hours remaining, 202.855469 MB of memory in use. ENERGY: 115400 764.5140 2066.6241 1966.4531 107.4923 -205929.6976 17830.5651 0.0000 0.0000 34205.9959 -148988.0530 298.7295 -183194.0489 -148891.0526 300.2860 -125.7028 -93.1604 560346.7507 -3.1960 -3.2783 PRESSURE: 115600 -100.247 67.9158 170.92 67.9156 -269.091 141.774 170.92 141.773 50.3871 GPRESSURE: 115600 -89.8305 64.412 151.097 40.4383 -210.104 75.9619 170.878 242.238 68.4259 PRESSAVG: 115600 -41.5648 33.7251 7.39335 33.7251 -53.077 96.9907 7.3934 96.9908 56.4094 GPRESSAVG: 115600 -42.0103 34.5062 6.72257 32.4623 -53.0038 95.7706 7.80125 99.5704 56.1916 TIMING: 115600 CPU: 341.809, 0.00296727/step Wall: 341.809, 0.00296727/step, 4.02592 hours remaining, 202.855469 MB of memory in use. ENERGY: 115600 761.1188 2138.3093 1951.8752 106.4047 -205842.2897 17723.1351 0.0000 0.0000 34222.0135 -148939.4332 298.8694 -183161.4467 -148841.5043 299.8966 -106.3171 -77.1694 559871.3410 -12.7442 -12.9408 PRESSURE: 115800 -56.1279 53.8813 4.11207 53.8825 -155.568 -0.0383553 4.11181 -0.0366101 -439.328 GPRESSURE: 115800 -73.3187 93.6986 36.2506 -0.117 -89.7896 -7.65362 -36.7286 -63.2638 -387.159 PRESSAVG: 115800 23.432 6.96747 4.08561 6.96747 -66.7489 54.0049 4.08566 54.0049 83.3523 GPRESSAVG: 115800 24.877 6.1846 5.52182 5.87566 -67.9134 55.3013 2.9822 52.6665 83.0715 TIMING: 115800 CPU: 342.4, 0.00295194/step Wall: 342.4, 0.00295194/step, 4.00497 hours remaining, 202.855469 MB of memory in use. ENERGY: 115800 746.6791 2044.4416 1972.3829 107.9680 -205764.0061 17617.0890 0.0000 0.0000 34378.9140 -148896.5315 300.2396 -183275.4455 -148802.1926 299.9979 -217.0079 -183.4226 559697.5553 13.3451 13.3450 PRESSURE: 116000 -38.9656 -59.5782 47.044 -59.5796 -247.878 -98.3395 47.0451 -98.3398 -233.459 GPRESSURE: 116000 18.7345 -58.5233 26.3224 -117.745 -223.374 36.8066 116.82 -193.292 -218.349 PRESSAVG: 116000 -19.5881 0.336339 -6.50938 0.336336 3.89526 7.79785 -6.50939 7.79781 45.4471 GPRESSAVG: 116000 -20.7224 -0.60906 -7.68305 0.00390322 3.80525 7.57851 -6.69469 8.39604 46.8143 TIMING: 116000 CPU: 342.99, 0.00294949/step Wall: 342.99, 0.00294949/step, 4.00148 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: 116000 793.3469 2086.5733 1954.6174 121.0055 -205570.2582 17464.9896 0.0000 0.0000 34144.4154 -149005.3101 298.1917 -183149.7255 -148901.8949 299.8157 -173.4343 -140.9962 560140.5813 9.9181 9.9657 PRESSURE: 116200 -186.268 38.2654 -37.1635 38.2647 -153.125 66.8153 -37.1637 66.8158 39.9542 GPRESSURE: 116200 -188.048 71.5084 28.8754 60.5217 -70.8891 25.6395 25.4568 110.921 58.4656 PRESSAVG: 116200 0.0430337 34.9948 14.5441 34.9947 -43.0051 17.4263 14.5441 17.4264 38.3912 GPRESSAVG: 116200 -0.295068 37.0506 14.2661 38.6616 -41.3125 19.3953 14.4688 17.2423 37.3377 TIMING: 116200 CPU: 343.579, 0.002948/step Wall: 343.579, 0.002948/step, 3.99928 hours remaining, 202.855469 MB of memory in use. ENERGY: 116200 744.1129 2104.5411 1924.4506 109.5100 -206179.0890 17860.1709 0.0000 0.0000 34384.1445 -149052.1590 300.2853 -183436.3035 -148948.2505 299.9403 -99.8129 -66.8237 559990.2751 -1.5236 -1.4233 LDB: ============= START OF LOAD BALANCING ============== 347.006 LDB: ============== END OF LOAD BALANCING =============== 347.006 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 347.007 LDB: ============= START OF LOAD BALANCING ============== 347.301 LDB: Largest compute 4848 load 0.029011 is 24.7% of average load 0.117628 LDB: Average compute 0.001742 is 1.5% of average load 0.117628 LDB: TIME 347.303 LOAD: AVG 0.117628 MAX 0.194495 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.25 MB LDB: TIME 347.304 LOAD: AVG 0.117628 MAX 0.194495 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.312 MB LDB: TIME 347.304 LOAD: AVG 0.117628 MAX 0.194495 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 347.306 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 347.31 PRESSURE: 116400 57.2469 48.5231 102.416 48.5222 -194.603 -21.2696 102.415 -21.2702 60.2474 GPRESSURE: 116400 109.129 -0.813532 144.895 46.5448 -157.8 36.8852 77.5153 67.4201 61.2545 PRESSAVG: 116400 -45.9008 40.0404 14.4304 40.0404 -48.3787 69.6636 14.4303 69.6636 73.2965 GPRESSAVG: 116400 -45.4485 39.4688 14.6462 39.2206 -49.6548 68.0003 15.1768 68.8183 74.3231 TIMING: 116400 CPU: 344.18, 0.00300378/step Wall: 344.18, 0.00300378/step, 4.07479 hours remaining, 202.605469 MB of memory in use. ENERGY: 116400 751.8067 2110.9265 1958.6746 127.6930 -205904.8659 17823.0250 0.0000 0.0000 34130.0967 -149002.6434 298.0666 -183132.7401 -148906.8138 299.4271 -25.7030 4.1946 558685.1383 -6.9943 -6.9268 PRESSURE: 116600 -40.9691 -101.619 -173.646 -101.619 -130.988 -155.116 -173.645 -155.115 -290.537 GPRESSURE: 116600 -17.9414 -92.8805 -224.027 -142.838 -80.8995 -197.8 -123.971 -172.638 -262.937 PRESSAVG: 116600 -31.1409 -12.7963 -37.7562 -12.7963 -52.1055 32.759 -37.7562 32.7591 53.3574 GPRESSAVG: 116600 -31.8583 -13.4667 -37.9173 -13.9166 -52.0466 32.3669 -35.8743 34.5149 54.6582 TIMING: 116600 CPU: 344.763, 0.00291701/step Wall: 344.763, 0.00291701/step, 3.95693 hours remaining, 202.605469 MB of memory in use. ENERGY: 116600 761.9266 2099.5560 1959.4554 118.6152 -205842.2187 17530.3583 0.0000 0.0000 34294.5888 -149077.7184 299.5032 -183372.3072 -148984.8623 299.8188 -154.1648 -120.5927 559284.4740 -9.9630 -9.7489 PRESSURE: 116800 -90.0125 -137.631 -134.165 -137.632 -39.354 -118.8 -134.166 -118.8 122.925 GPRESSURE: 116800 -96.3454 -135.611 -93.3168 -51.8997 -32.9053 -138.519 -84.6378 -98.7236 222.381 PRESSAVG: 116800 69.7407 -29.1379 -37.9313 -29.1379 -81.4057 -36.7268 -37.9313 -36.7267 38.8868 GPRESSAVG: 116800 69.8252 -28.9357 -37.4087 -30.6172 -82.4762 -35.3357 -40.0635 -38.831 39.9225 TIMING: 116800 CPU: 345.352, 0.00294177/step Wall: 345.352, 0.00294177/step, 3.99035 hours remaining, 202.605469 MB of memory in use. ENERGY: 116800 730.2535 2114.3705 1963.5450 118.5911 -206011.2476 17844.5815 0.0000 0.0000 34069.6606 -149170.2452 297.5388 -183239.9059 -149075.3118 299.4287 -2.1472 31.0435 558462.9689 9.0740 9.0905 PRESSURE: 117000 -97.9427 6.62224 -7.72603 6.62318 103.408 -95.8035 -7.7268 -95.8033 -89.1267 GPRESSURE: 117000 -45.9083 0.981166 25.0603 24.3304 94.3826 -116.671 19.1981 34.7993 -46.7683 PRESSAVG: 117000 17.2241 -38.6781 -21.9503 -38.6781 -11.1046 14.9777 -21.9503 14.9777 -1.82518 GPRESSAVG: 117000 17.4552 -39.7297 -23.6239 -36.3701 -9.81859 14.3611 -21.4334 17.9614 -3.0951 TIMING: 117000 CPU: 345.934, 0.00290934/step Wall: 345.934, 0.00290934/step, 3.9462 hours remaining, 202.605469 MB of memory in use. ENERGY: 117000 739.6986 2083.2213 1955.5050 131.2543 -206252.1316 17782.5848 0.0000 0.0000 34302.7184 -149257.1491 299.5742 -183559.8675 -149160.9841 298.9446 -27.8870 0.5687 557680.9768 1.4314 1.5138 PRESSURE: 117200 62.7091 50.539 26.0896 50.5396 -24.8163 62.4819 26.0889 62.4802 216.233 GPRESSURE: 117200 78.2873 18.9528 102.86 43.0342 -4.50339 -43.6108 -77.5091 138.73 278.952 PRESSAVG: 117200 23.3732 11.3932 -18.1747 11.3932 -13.2212 26.4754 -18.1745 26.4753 -14.0748 GPRESSAVG: 117200 24.7237 14.1525 -17.6968 7.87932 -13.2869 24.9515 -18.3186 25.0669 -15.5092 TIMING: 117200 CPU: 346.52, 0.00293083/step Wall: 346.52, 0.00293083/step, 3.97519 hours remaining, 202.605469 MB of memory in use. ENERGY: 117200 737.2249 2118.3630 1969.7489 123.4060 -206175.6311 17871.4650 0.0000 0.0000 34001.7114 -149353.7121 296.9454 -183355.4234 -149274.1576 299.0341 84.7085 117.5787 558410.9888 -1.3076 -1.3575 PRESSURE: 117400 -262.09 -14.9868 -124.192 -14.9857 -119.369 25.0062 -124.193 25.0043 -186.536 GPRESSURE: 117400 -202.936 13.7858 -126.364 -10.6163 -74.222 -17.1703 -38.7476 76.2989 -206.311 PRESSAVG: 117400 30.1935 -19.9404 -29.4349 -19.9404 -60.2772 -8.49347 -29.435 -8.49346 11.0873 GPRESSAVG: 117400 29.0552 -19.4611 -29.9724 -18.3477 -60.02 -7.70063 -30.0237 -8.65612 12.4367 TIMING: 117400 CPU: 347.11, 0.00294876/step Wall: 347.11, 0.00294876/step, 3.99934 hours remaining, 202.605469 MB of memory in use. ENERGY: 117400 772.1858 2094.3876 1942.2824 114.1098 -206224.5565 17568.0610 0.0000 0.0000 34447.4700 -149286.0599 300.8383 -183733.5299 -149191.5941 298.0092 -189.3317 -161.1561 558481.4874 -6.3321 -6.1760 PRESSURE: 117600 -166.001 -90.9698 -22.0023 -90.9716 -307.203 -68.7411 -22.0021 -68.7407 5.66246 GPRESSURE: 117600 -166.583 -76.051 3.70823 -84.5914 -300.98 -7.66362 0.0442106 -150.704 103.697 PRESSAVG: 117600 -36.1007 -8.63084 -4.88572 -8.63088 27.7829 -23.7503 -4.88572 -23.7504 10.3951 GPRESSAVG: 117600 -36.0758 -13.2237 -5.07558 -6.27384 27.4622 -24.0999 -4.3151 -25.1058 10.8705 TIMING: 117600 CPU: 347.7, 0.00295246/step Wall: 347.7, 0.00295246/step, 4.00419 hours remaining, 202.605469 MB of memory in use. ENERGY: 117600 778.8124 2114.5528 1947.3884 105.9300 -206254.0891 17758.4658 0.0000 0.0000 34178.6627 -149370.2770 298.4908 -183548.9397 -149267.9636 298.5241 -155.8472 -121.2886 558641.2907 0.6924 0.7523 PRESSURE: 117800 -107.614 59.2256 -18.364 59.2248 151.342 -51.9989 -18.3646 -51.999 -16.8118 GPRESSURE: 117800 -26.6977 83.5484 -23.8522 -21.9036 112.589 -42.2601 40.3135 -18.3963 28.5097 PRESSAVG: 117800 -39.4892 23.1786 14.9597 23.1786 60.8439 -16.4202 14.9597 -16.4204 15.1019 GPRESSAVG: 117800 -38.699 25.9102 15.9113 22.1625 61.157 -15.6583 13.774 -17.0209 13.8101 TIMING: 117800 CPU: 348.287, 0.00293306/step Wall: 348.287, 0.00293306/step, 3.97772 hours remaining, 202.605469 MB of memory in use. ENERGY: 117800 753.4074 2124.6207 1950.3955 108.0958 -206200.7107 17724.9204 0.0000 0.0000 34166.2408 -149373.0301 298.3823 -183539.2709 -149288.5919 298.0919 8.9720 38.1337 557388.4807 12.1522 12.0894 PRESSURE: 118000 -111.422 166.247 -6.96874 166.247 -126.34 -18.835 -6.96997 -18.8344 0.0453116 GPRESSURE: 118000 -100.776 159.751 39.4988 155.826 -112.523 -14.05 -49.5147 -20.3044 69.0986 PRESSAVG: 118000 -38.4517 66.2373 1.93822 66.2372 92.5822 -59.5106 1.93821 -59.5105 -84.0879 GPRESSAVG: 118000 -38.9271 68.416 0.274652 65.5704 92.7868 -58.8706 1.88183 -58.9183 -83.7125 TIMING: 118000 CPU: 348.876, 0.00294808/step Wall: 348.876, 0.00294808/step, 3.99792 hours remaining, 202.605469 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: 118000 780.5447 2079.5278 1966.4247 114.0453 -205991.6245 17628.3721 0.0000 0.0000 34152.0832 -149270.6267 298.2586 -183422.7099 -149173.9884 299.0712 -79.2390 -48.0667 556490.4393 -9.9858 -9.9509 PRESSURE: 118200 -138.777 -54.3698 -20.7723 -54.3691 -176.763 -112.969 -20.7722 -112.968 8.27193 GPRESSURE: 118200 -132.671 -92.2131 94.3856 22.2251 -166.61 -149.05 -116.956 -130.363 91.9913 PRESSAVG: 118200 -68.5669 16.4199 -5.96793 16.42 23.4166 -21.9047 -5.96791 -21.9048 77.4188 GPRESSAVG: 118200 -68.5865 14.5754 -3.00964 17.5587 22.9075 -22.3421 -5.52134 -21.5739 77.5671 TIMING: 118200 CPU: 349.465, 0.0029428/step Wall: 349.465, 0.0029428/step, 3.9906 hours remaining, 202.605469 MB of memory in use. ENERGY: 118200 754.2806 2137.0942 1960.1169 107.3323 -205957.4908 17523.5209 0.0000 0.0000 34327.5342 -149147.6116 299.7909 -183475.1459 -149053.7751 299.5688 -102.4228 -69.0969 557325.6850 10.7562 10.6293 PRESSURE: 118400 -137.692 -73.5856 -156.811 -73.5851 -125.299 -7.21091 -156.812 -7.21178 33.9975 GPRESSURE: 118400 -101.635 -29.3437 -119.041 -97.3235 -86.8391 20.0179 -194.425 13.818 40.6825 PRESSAVG: 118400 -2.78519 -18.5179 -4.26675 -18.5178 -31.9516 -33.7404 -4.26687 -33.7405 38.8869 GPRESSAVG: 118400 -3.44303 -18.7255 -4.87347 -18.9662 -30.7798 -33.9959 -3.75487 -33.3377 38.897 TIMING: 118400 CPU: 350.057, 0.00296187/step Wall: 350.057, 0.00296187/step, 4.0163 hours remaining, 202.605469 MB of memory in use. ENERGY: 118400 783.8778 2077.4881 1950.8735 122.8806 -206402.2811 17820.8523 0.0000 0.0000 34396.0984 -149250.2104 300.3897 -183646.3088 -149154.5046 299.3422 -76.3313 -49.2637 556862.0083 1.3834 1.5581 PRESSURE: 118600 47.9233 -50.8052 66.323 -50.8066 -92.2772 31.7584 66.3223 31.76 246.149 GPRESSURE: 118600 109.684 -85.1471 9.09689 -101.502 -87.2025 38.111 62.6391 22.335 276.891 PRESSAVG: 118600 12.6034 -23.6197 -24.3958 -23.6197 -56.7863 -18.2014 -24.3959 -18.2015 55.855 GPRESSAVG: 118600 13.1089 -23.0347 -25.5636 -23.8837 -56.6849 -18.9559 -24.6644 -17.1686 55.6358 TIMING: 118600 CPU: 350.649, 0.00295609/step Wall: 350.649, 0.00295609/step, 4.0083 hours remaining, 202.605469 MB of memory in use. ENERGY: 118600 733.2564 2109.4039 1970.8648 111.2821 -206336.0784 17990.1699 0.0000 0.0000 34123.1387 -149297.9626 298.0059 -183421.1012 -149200.8382 299.2054 67.2651 99.7906 555796.1840 3.8907 4.0199 PRESSURE: 118800 -400.773 89.8159 -59.0362 89.8162 -224.743 9.61997 -59.0361 9.61991 -178.974 GPRESSURE: 118800 -337.908 82.8736 -64.8963 148.418 -215.623 -50.8036 53.456 -27.6386 -150.104 PRESSAVG: 118800 -47.9557 -75.9768 -8.67983 -75.9768 21.657 5.83123 -8.67989 5.83124 39.1965 GPRESSAVG: 118800 -47.8999 -76.8386 -9.19708 -75.3416 20.6216 6.48106 -9.82524 4.24347 39.5812 TIMING: 118800 CPU: 351.236, 0.00293745/step Wall: 351.236, 0.00293745/step, 3.98285 hours remaining, 202.605469 MB of memory in use. ENERGY: 118800 721.7469 2193.2861 1951.1352 121.1620 -205497.6424 17229.9071 0.0000 0.0000 34103.1751 -149177.2301 297.8315 -183280.4052 -149076.1718 299.2675 -268.1632 -234.5451 557278.5693 4.2993 4.1010 PRESSURE: 119000 58.376 -169.045 -97.2762 -169.046 149.674 94.5206 -97.2767 94.5202 120.163 GPRESSURE: 119000 108.286 -95.7203 -173.401 -155.771 175.431 81.971 -75.4123 33.819 128.809 PRESSAVG: 119000 -30.8032 28.6975 -35.5536 28.6975 24.6259 33.9805 -35.5536 33.9805 49.9259 GPRESSAVG: 119000 -32.1891 31.2767 -33.6074 26.1083 26.4501 32.9616 -34.647 35.5051 49.6196 TIMING: 119000 CPU: 351.825, 0.00294573/step Wall: 351.825, 0.00294573/step, 3.99392 hours remaining, 202.605469 MB of memory in use. ENERGY: 119000 751.0684 2136.6763 1962.9189 120.0448 -206349.5921 17948.3873 0.0000 0.0000 34121.9351 -149308.5612 297.9953 -183430.4963 -149208.3082 298.8013 109.4042 137.5087 555984.3378 14.5829 14.6269 PRESSURE: 119200 -385.378 137.851 -73.23 137.852 -336.494 69.7864 -73.2293 69.7862 -328.333 GPRESSURE: 119200 -287.663 122.82 -56.1547 205.555 -298.975 60.9412 -55.4842 30.1273 -368.608 PRESSAVG: 119200 6.25074 -17.7813 -24.2946 -17.7813 2.33465 72.8524 -24.2946 72.8524 -21.1459 GPRESSAVG: 119200 8.00723 -19.3204 -26.5994 -14.2942 1.36705 73.25 -24.0648 74.7813 -21.8893 TIMING: 119200 CPU: 352.424, 0.00299458/step Wall: 352.424, 0.00299458/step, 4.05999 hours remaining, 202.605469 MB of memory in use. ENERGY: 119200 794.8496 2100.7064 1990.1698 109.5301 -206018.0328 17454.3866 0.0000 0.0000 34231.2444 -149337.1460 298.9500 -183568.3903 -149235.7750 299.0802 -350.0682 -318.4155 558508.0371 -4.1869 -4.1717 PRESSURE: 119400 22.0837 97.2509 -97.2593 97.2495 -2.55648 -70.3852 -97.259 -70.3834 88.3579 GPRESSURE: 119400 69.7381 151.031 -107.196 64.7062 32.7998 -73.0082 15.9078 -35.6162 104.05 PRESSAVG: 119400 -22.8751 61.5936 11.1215 61.5936 16.0858 -43.9605 11.1214 -43.9606 28.0877 GPRESSAVG: 119400 -23.1241 61.2123 12.3006 61.3472 16.3305 -43.6183 10.7636 -47.0138 28.2442 TIMING: 119400 CPU: 353.02, 0.00298105/step Wall: 353.02, 0.00298105/step, 4.04148 hours remaining, 202.605469 MB of memory in use. ENERGY: 119400 759.1931 2154.1916 1971.0551 118.0081 -206263.6787 18071.8107 0.0000 0.0000 33986.8503 -149202.5699 296.8156 -183189.4202 -149101.0831 298.8662 35.9617 68.8627 558498.5829 7.0994 7.1502 PRESSURE: 119600 64.3361 49.4665 -118.191 49.4662 53.1093 -14.6715 -118.192 -14.6724 23.9132 GPRESSURE: 119600 84.2827 85.8039 -177.957 73.7944 74.7611 -29.5891 -89.3052 -66.1616 77.572 PRESSAVG: 119600 -69.7495 64.1238 -30.5254 64.1239 -15.3727 -35.1922 -30.5254 -35.1923 57.012 GPRESSAVG: 119600 -69.8045 64.5628 -31.4509 61.5091 -16.0886 -33.6284 -30.6563 -35.6557 57.412 TIMING: 119600 CPU: 353.617, 0.00298494/step Wall: 353.617, 0.00298494/step, 4.04659 hours remaining, 202.605469 MB of memory in use. ENERGY: 119600 710.0297 2106.5232 1987.3451 120.6008 -206244.3794 17771.7978 0.0000 0.0000 34257.0214 -149291.0613 299.1751 -183548.0828 -149193.6525 298.4684 47.1195 78.8719 557320.7340 -9.3700 -9.4937 PRESSURE: 119800 164.059 -20.9428 -34.1188 -20.9421 123.382 2.78863 -34.1196 2.78893 -313.783 GPRESSURE: 119800 172.975 56.8244 -30.101 15.8739 157.086 -43.0963 -62.335 -42.8625 -261.439 PRESSAVG: 119800 -31.7912 30.9964 -14.2609 30.9964 16.8963 -47.5664 -14.2608 -47.5664 -32.6857 GPRESSAVG: 119800 -33.089 32.0565 -13.4846 29.8279 17.2846 -47.506 -15.5765 -48.2019 -31.8695 TIMING: 119800 CPU: 354.208, 0.00295616/step Wall: 354.208, 0.00295616/step, 4.0074 hours remaining, 202.605469 MB of memory in use. ENERGY: 119800 749.6338 2118.8782 1954.8499 114.3483 -206045.9985 17788.5548 0.0000 0.0000 34071.6284 -149248.1052 297.5560 -183319.7335 -149153.1533 298.8191 -8.7806 22.8740 557721.2663 -15.8602 -15.8913 PRESSURE: 120000 265.358 -50.7868 139.265 -50.787 50.7573 87.8636 139.265 87.8636 32.5339 GPRESSURE: 120000 287.559 -99.7484 69.5096 19.7252 122.421 45.9537 181.857 122.371 27.2308 PRESSAVG: 120000 19.1909 4.40619 0.726839 4.40621 99.1461 -4.42875 0.726907 -4.42875 -81.7121 GPRESSAVG: 120000 21.4488 3.003 -0.753892 5.95757 99.4934 -3.95639 3.14566 -3.76216 -84.5663 TIMING: 120000 CPU: 354.796, 0.00293579/step Wall: 354.796, 0.00293579/step, 3.97963 hours remaining, 202.605469 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: 120000 739.8650 2089.1381 1933.7061 119.1644 -206617.8248 18354.3688 0.0000 0.0000 34180.5846 -149200.9977 298.5075 -183381.5824 -149103.8916 298.6603 116.2165 145.7369 557389.6541 12.2083 12.1253 PRESSURE: 120200 46.7897 33.2006 133.402 33.2 65.1669 -141.616 133.401 -141.615 -101.776 GPRESSURE: 120200 99.81 75.6681 79.5924 25.186 86.1149 -46.2509 191.923 -255.422 -77.0187 PRESSAVG: 120200 91.4503 20.2414 42.1068 20.2415 -23.2477 8.54259 42.1066 8.54266 -44.6477 GPRESSAVG: 120200 90.6502 19.4003 43.445 21.2292 -24.0372 9.06987 42.5111 9.45022 -42.9582 TIMING: 120200 CPU: 355.385, 0.00294432/step Wall: 355.385, 0.00294432/step, 3.99103 hours remaining, 202.605469 MB of memory in use. ENERGY: 120200 738.2230 2092.3538 1979.4666 109.6451 -206029.4427 17858.5896 0.0000 0.0000 34095.7612 -149155.4034 297.7668 -183251.1646 -149060.6086 299.2090 3.3936 36.3021 557508.0296 7.8517 7.8849 LDB: ============= START OF LOAD BALANCING ============== 358.811 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 358.811 LDB: =============== DONE WITH MIGRATION ================ 358.812 LDB: ============= START OF LOAD BALANCING ============== 359.106 LDB: Largest compute 4848 load 0.027810 is 23.6% of average load 0.117655 LDB: Average compute 0.001740 is 1.5% of average load 0.117655 LDB: TIME 359.108 LOAD: AVG 0.117655 MAX 0.195894 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.375 MB LDB: TIME 359.109 LOAD: AVG 0.117655 MAX 0.195894 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.578 MB LDB: TIME 359.109 LOAD: AVG 0.117655 MAX 0.195894 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 359.111 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 359.115 PRESSURE: 120400 16.4973 35.2319 18.7914 35.2298 -286.747 -30.4727 18.7905 -30.4732 123.78 GPRESSURE: 120400 37.8764 29.9794 32.3977 12.4887 -229.692 -107.715 -22.8812 -28.2284 141.066 PRESSAVG: 120400 120.242 53.778 -12.6201 53.778 -32.5194 15.5658 -12.6202 15.5658 -57.2705 GPRESSAVG: 120400 119.041 52.709 -14.6381 53.3988 -30.9932 12.9935 -12.9778 16.0799 -57.2562 TIMING: 120400 CPU: 355.985, 0.00300282/step Wall: 355.985, 0.00300282/step, 4.07016 hours remaining, 202.917969 MB of memory in use. ENERGY: 120400 771.4953 2108.5032 1962.8401 106.5890 -206317.5347 17810.0880 0.0000 0.0000 34169.9846 -149388.0344 298.4150 -183558.0191 -149289.6799 298.7085 -48.8232 -16.9165 556453.3671 10.1506 10.2640 PRESSURE: 120600 372.705 -94.8001 66.8698 -94.7996 -45.0388 169.323 66.8703 169.324 -184.246 GPRESSURE: 120600 347.518 -54.8204 68.5316 -143.365 -11.3983 97.4929 84.7476 138.04 -110.572 PRESSAVG: 120600 -20.4915 13.2116 17.312 13.2116 19.7425 27.1373 17.3119 27.1373 -6.8176 GPRESSAVG: 120600 -18.6397 17.3597 17.3859 11.9779 18.1419 26.6949 17.5751 27.1881 -7.32743 TIMING: 120600 CPU: 356.571, 0.00293004/step Wall: 356.571, 0.00293004/step, 3.97134 hours remaining, 202.917969 MB of memory in use. ENERGY: 120600 755.0215 2095.5656 1946.5414 116.5670 -206158.8216 17805.6662 0.0000 0.0000 34132.6407 -149306.8192 298.0888 -183439.4599 -149211.4798 298.3917 47.8068 75.1826 555642.1459 -2.5222 -2.6084 PRESSURE: 120800 151.684 -72.2402 103.045 -72.2397 -212.076 -32.649 103.045 -32.6484 -331.855 GPRESSURE: 120800 94.6086 -24.8659 92.3257 -103.925 -170.218 5.39088 44.93 -66.6238 -221.143 PRESSAVG: 120800 -29.8635 -33.1365 0.97794 -33.1365 6.4857 4.0299 0.97793 4.02984 -30.8764 GPRESSAVG: 120800 -30.7811 -36.5158 5.3392 -31.2156 7.39799 8.18269 -0.928322 2.55788 -30.2585 TIMING: 120800 CPU: 357.16, 0.00294648/step Wall: 357.16, 0.00294648/step, 3.99346 hours remaining, 202.917969 MB of memory in use. ENERGY: 120800 760.4797 2042.8390 1936.0858 109.9366 -205941.0165 17667.9058 0.0000 0.0000 34109.4812 -149314.2885 297.8866 -183423.7697 -149223.5511 298.8139 -130.7492 -98.9174 557745.9877 -18.0847 -17.8805 PRESSURE: 121000 -6.5614 97.3272 -48.5146 97.3272 132.167 -87.6198 -48.5151 -87.6184 -65.0794 GPRESSURE: 121000 68.6593 43.0162 -61.3285 83.7147 152.36 -73.459 -45.1028 -84.0589 -60.3629 PRESSAVG: 121000 2.96252 23.2646 22.5864 23.2648 22.1158 35.1364 22.5865 35.1364 16.6172 GPRESSAVG: 121000 3.57709 22.3377 20.0294 24.6845 22.2129 32.7057 24.6337 35.2479 16.3589 TIMING: 121000 CPU: 357.749, 0.00294367/step Wall: 357.749, 0.00294367/step, 3.98949 hours remaining, 202.917969 MB of memory in use. ENERGY: 121000 738.8344 2097.5520 1945.6540 111.8153 -206548.3888 18040.5627 0.0000 0.0000 34170.7600 -149443.2104 298.4217 -183613.9704 -149342.6678 298.6434 20.1754 53.5521 557518.8343 13.8985 14.0496 PRESSURE: 121200 -215.016 202.53 59.671 202.531 4.63145 -241.562 59.6721 -241.562 -196.589 GPRESSURE: 121200 -121.102 234.628 115.756 132.919 3.84042 -203.089 6.13006 -204.119 -195.89 PRESSAVG: 121200 -8.21965 -22.7454 0.575147 -22.7453 84.5876 -10.5288 0.575101 -10.5288 -42.7037 GPRESSAVG: 121200 -8.06336 -22.3187 1.04126 -22.9017 84.357 -9.31425 0.368464 -10.5509 -42.7256 TIMING: 121200 CPU: 358.344, 0.002976/step Wall: 358.344, 0.002976/step, 4.03314 hours remaining, 202.917969 MB of memory in use. ENERGY: 121200 774.3807 2141.1810 1924.5573 121.1360 -206181.2472 17752.0979 0.0000 0.0000 34167.5095 -149300.3848 298.3934 -183467.8943 -149203.2311 299.3120 -135.6581 -104.3839 557781.3991 11.2214 11.1893 PRESSURE: 121400 -38.3608 -115.639 93.6786 -115.639 -95.9671 -103.172 93.6785 -103.172 119.274 GPRESSURE: 121400 3.43654 -83.859 -7.13562 -182.517 -49.0915 -200.916 57.3227 -110.836 128.301 PRESSAVG: 121400 21.0545 -13.3131 -10.4397 -13.3131 30.0585 -48.1101 -10.4398 -48.1101 -68.3607 GPRESSAVG: 121400 20.5681 -11.6403 -12.2691 -16.3382 30.0553 -49.2539 -11.3918 -48.8609 -67.8325 TIMING: 121400 CPU: 358.935, 0.00295279/step Wall: 358.935, 0.00295279/step, 4.00152 hours remaining, 202.917969 MB of memory in use. ENERGY: 121400 730.3504 2113.8546 1939.7331 119.9704 -206469.3819 18011.9812 0.0000 0.0000 34130.8612 -149422.6311 298.0733 -183553.4922 -149328.1177 299.0113 -5.0181 27.5487 557835.5155 -5.7492 -5.7364 PRESSURE: 121600 -150.415 -147.041 -17.0244 -147.042 -134.942 -10.2721 -17.024 -10.2731 -98.0426 GPRESSURE: 121600 -120.077 -162.621 56.5008 -182.759 -36.0862 11.697 -107.6 8.31638 -124.511 PRESSAVG: 121600 45.1109 -24.294 20.1677 -24.294 -60.1219 3.19242 20.1675 3.19251 -34.8136 GPRESSAVG: 121600 46.2828 -23.9425 21.7927 -21.6353 -60.3262 3.42199 20.9746 3.53223 -35.4045 TIMING: 121600 CPU: 359.526, 0.00295417/step Wall: 359.526, 0.00295417/step, 4.00323 hours remaining, 202.917969 MB of memory in use. ENERGY: 121600 759.7218 2108.4813 1980.4566 105.8634 -206171.7111 17709.2318 0.0000 0.0000 34137.6032 -149370.3531 298.1322 -183507.9563 -149274.8226 298.0354 -127.7999 -93.5583 559284.9932 -16.6082 -16.4826 PRESSURE: 121800 73.8111 -17.7295 166.038 -17.7295 245.061 200.749 166.038 200.749 152.296 GPRESSURE: 121800 139.501 -5.18988 168.113 -36.8865 233.791 173.13 122.561 199.231 187.478 PRESSAVG: 121800 -41.2402 -30.8982 71.9685 -30.8982 28.9527 48.427 71.9684 48.427 19.8369 GPRESSAVG: 121800 -42.8296 -30.4484 74.1696 -31.3111 30.4414 47.5929 70.2227 49.6127 19.8444 TIMING: 121800 CPU: 360.117, 0.00295479/step Wall: 360.117, 0.00295479/step, 4.00391 hours remaining, 202.917969 MB of memory in use. ENERGY: 121800 733.6770 2120.0343 1967.5088 108.6327 -206554.3385 18135.8447 0.0000 0.0000 34223.5671 -149265.0739 298.8829 -183488.6410 -149168.1125 298.5954 157.0558 186.9232 559468.4464 2.5165 2.4854 PRESSURE: 122000 -349.715 -2.53715 -41.6201 -2.53692 -109.26 57.923 -41.6198 57.9234 -374.916 GPRESSURE: 122000 -314.879 -163.126 -37.0098 44.9233 -103.59 107.438 -46.0367 58.1682 -321.091 PRESSAVG: 122000 -58.3871 -34.5724 -4.43281 -34.5724 53.8691 101.435 -4.43273 101.435 19.678 GPRESSAVG: 122000 -57.4582 -34.2171 -5.66135 -34.774 52.2105 101.319 -3.51613 101.882 20.3069 TIMING: 122000 CPU: 360.704, 0.0029383/step Wall: 360.704, 0.0029383/step, 3.9814 hours remaining, 202.917969 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: 122000 723.3452 2138.2406 1990.9527 120.7609 -206066.1559 17525.3757 0.0000 0.0000 34342.9208 -149224.5599 299.9253 -183567.4807 -149131.2565 298.8462 -277.9633 -246.5198 559686.6810 5.0533 5.0197 PRESSURE: 122200 -125.059 27.802 137.18 27.8012 -7.56774 50.3356 137.179 50.3345 2.0342 GPRESSURE: 122200 -73.871 97.5352 115.175 6.16408 36.2746 21.6129 106.494 5.62274 0.774569 PRESSAVG: 122200 -28.0998 11.6765 92.2691 11.6765 -38.4758 61.5842 92.2691 61.5842 41.7962 GPRESSAVG: 122200 -28.118 11.0742 92.052 10.8727 -38.1725 61.8005 90.9824 60.0384 41.7344 TIMING: 122200 CPU: 361.298, 0.00296884/step Wall: 361.298, 0.00296884/step, 4.02261 hours remaining, 202.917969 MB of memory in use. ENERGY: 122200 769.7939 2092.4926 2008.1146 115.2444 -206425.2455 17959.8707 0.0000 0.0000 34085.1104 -149394.6190 297.6737 -183479.7294 -149297.5277 298.5575 -43.5307 -12.2739 557973.0599 -8.2598 -8.1854 PRESSURE: 122400 193.83 74.7777 -44.9683 74.7789 -97.8031 105.575 -44.9678 105.575 87.7256 GPRESSURE: 122400 245.843 131.968 -44.2003 46.6356 -69.4104 108.468 -62.1057 56.7867 102.345 PRESSAVG: 122400 47.0934 -7.12969 -3.58693 -7.12963 -29.9045 15.757 -3.58694 15.7569 26.0546 GPRESSAVG: 122400 47.3517 -6.01281 -4.72059 -5.93033 -30.8561 15.0192 -2.33793 16.477 26.4342 TIMING: 122400 CPU: 361.894, 0.00297864/step Wall: 361.894, 0.00297864/step, 4.03573 hours remaining, 202.917969 MB of memory in use. ENERGY: 122400 722.5320 2122.2921 1956.8215 108.9900 -206569.2986 17815.6015 0.0000 0.0000 34264.5698 -149578.4917 299.2410 -183843.0615 -149485.3301 298.3884 61.2509 92.9260 556194.1437 14.4145 14.3099 PRESSURE: 122600 -152.721 -13.4937 -242.235 -13.4949 179.372 -83.7468 -242.236 -83.7474 140.767 GPRESSURE: 122600 -97.0941 -39.9039 -209.115 -54.8668 197.443 -13.1604 -160.368 -205.568 152.241 PRESSAVG: 122600 46.8715 5.66337 -3.5582 5.66347 -4.1073 -6.28163 -3.55827 -6.28176 -34.0575 GPRESSAVG: 122600 46.2459 5.39024 -2.99039 4.77916 -2.3407 -6.15005 -4.50405 -5.42429 -35.0224 TIMING: 122600 CPU: 362.488, 0.00297295/step Wall: 362.488, 0.00297295/step, 4.02786 hours remaining, 202.917969 MB of memory in use. ENERGY: 122600 713.8056 2098.3409 1988.0857 106.3212 -206639.6554 18018.8158 0.0000 0.0000 34260.0811 -149454.2051 299.2018 -183714.2862 -149355.2388 298.2641 55.8058 84.1966 557469.7892 2.9022 2.9609 PRESSURE: 122800 58.2225 -116.066 34.846 -116.065 -42.2529 93.9145 34.8457 93.9148 -127.815 GPRESSURE: 122800 5.01038 -57.8343 21.105 -69.9967 38.2445 -34.8126 15.0162 195.442 -43.0078 PRESSAVG: 122800 -28.5684 -15.014 -16.2201 -15.0139 18.6518 -14.5527 -16.22 -14.5526 28.1022 GPRESSAVG: 122800 -28.9068 -16.6021 -14.6273 -13.6937 17.7909 -12.3353 -16.4961 -15.0823 28.9996 TIMING: 122800 CPU: 363.084, 0.00297999/step Wall: 363.084, 0.00297999/step, 4.03723 hours remaining, 202.917969 MB of memory in use. ENERGY: 122800 732.6658 2150.8745 1946.5432 121.8661 -206209.0984 17895.4457 0.0000 0.0000 34010.0183 -149351.6848 297.0179 -183361.7031 -149256.7519 299.2467 -37.2817 0.0824 558809.3602 6.0619 5.9612 PRESSURE: 123000 175.58 89.2964 -40.9816 89.2959 -175.409 -92.9949 -40.9812 -92.9961 -7.31044 GPRESSURE: 123000 211.564 118.454 -68.6482 184.183 -107.589 -59.8827 -44.0154 13.7596 -9.68518 PRESSAVG: 123000 -7.67511 33.7225 -3.74258 33.7225 -2.3337 -40.2954 -3.7425 -40.2953 11.641 GPRESSAVG: 123000 -8.08705 34.0947 -4.17159 34.6876 -1.98622 -40.8738 -2.83444 -41.7154 11.7122 TIMING: 123000 CPU: 363.677, 0.00296347/step Wall: 363.677, 0.00296347/step, 4.01468 hours remaining, 202.917969 MB of memory in use. ENERGY: 123000 781.3899 2076.3933 1983.1071 136.8321 -206446.6944 17931.9534 0.0000 0.0000 34120.5163 -149416.5022 297.9830 -183537.0185 -149315.3911 299.2497 -2.3800 31.4299 559197.1560 0.5441 0.5463 PRESSURE: 123200 89.443 36.3178 -105.011 36.3177 -202.243 -29.6254 -105.011 -29.6249 -150.883 GPRESSURE: 123200 94.067 107.475 -82.9516 93.0119 -190.435 20.4558 -108.379 -97.437 -64.343 PRESSAVG: 123200 -35.8519 -12.1585 5.12591 -12.1586 -20.5886 16.9287 5.1258 16.9287 40.7109 GPRESSAVG: 123200 -35.1617 -11.9536 3.92338 -13.2366 -21.6411 14.8572 6.61683 17.457 41.3845 TIMING: 123200 CPU: 364.259, 0.00291014/step Wall: 364.259, 0.00291014/step, 3.94227 hours remaining, 202.917969 MB of memory in use. ENERGY: 123200 741.1907 2175.3778 1942.3470 117.4627 -205884.2639 17581.6836 0.0000 0.0000 34165.6678 -149160.5342 298.3773 -183326.2020 -149068.5196 299.0723 -87.8943 -53.5702 557468.3394 -5.2432 -5.1394 PRESSURE: 123400 -42.5644 -39.0944 -7.06358 -39.0933 -2.33757 74.8026 -7.06605 74.803 -82.9942 GPRESSURE: 123400 -29.2811 -70.0462 -84.7456 37.6502 46.9279 15.4515 24.2228 142.413 -52.9662 PRESSAVG: 123400 -4.20162 -21.2116 -17.7832 -21.2116 -5.89209 -31.8993 -17.7833 -31.8992 40.6565 GPRESSAVG: 123400 -4.45425 -21.1313 -17.856 -21.0395 -5.21533 -32.4552 -18.6399 -31.4423 40.2059 TIMING: 123400 CPU: 364.848, 0.00294445/step Wall: 364.848, 0.00294445/step, 3.98859 hours remaining, 202.917969 MB of memory in use. ENERGY: 123400 783.6530 2106.7871 1965.3749 117.6497 -206340.6126 17874.9482 0.0000 0.0000 34416.1997 -149075.9999 300.5652 -183492.1996 -148974.4123 299.7713 -42.6320 -11.7731 556098.4763 10.1876 10.1788 PRESSURE: 123600 301.905 66.93 187.483 66.9308 -106.844 -41.2851 187.483 -41.286 -69.5426 GPRESSURE: 123600 361.376 85.6519 159.241 -16.5823 -102.26 -19.1941 113.563 -126.345 -33.6062 PRESSAVG: 123600 -4.23091 -24.3325 -27.4223 -24.3325 -22.2333 13.7782 -27.4223 13.7782 9.83992 GPRESSAVG: 123600 -4.06084 -22.2064 -28.045 -27.261 -21.7488 15.357 -28.7792 13.3595 9.55264 TIMING: 123600 CPU: 365.434, 0.00293062/step Wall: 365.434, 0.00293062/step, 3.96969 hours remaining, 202.917969 MB of memory in use. ENERGY: 123600 740.7733 2136.3027 1931.1003 112.9253 -206565.0883 18014.2375 0.0000 0.0000 34451.2844 -149178.4649 300.8716 -183629.7492 -149076.3395 300.5278 41.8395 75.1700 556434.9947 -5.5414 -5.4190 PRESSURE: 123800 130.084 -64.0203 50.4587 -64.0201 0.510691 -31.5408 50.4595 -31.5401 256.961 GPRESSURE: 123800 244.474 -71.063 75.3894 -58.2559 16.1079 65.6258 61.3308 -101.619 227.999 PRESSAVG: 123800 1.66389 -14.876 -26.1893 -14.876 -37.6975 -4.40406 -26.1894 -4.40415 12.935 GPRESSAVG: 123800 1.76403 -16.3346 -26.0022 -11.2873 -38.0409 -3.96902 -25.8297 -3.72458 13.0861 TIMING: 123800 CPU: 366.019, 0.00292197/step Wall: 366.019, 0.00292197/step, 3.9578 hours remaining, 202.917969 MB of memory in use. ENERGY: 123800 782.2059 2146.5892 1961.4779 121.2230 -206445.1332 18080.1421 0.0000 0.0000 34202.3071 -149151.1879 298.6973 -183353.4950 -149054.4759 299.0332 129.1852 162.8603 558122.0588 -7.6995 -7.7303 PRESSURE: 124000 -103.338 35.8145 -39.7963 35.8137 -100.12 -8.9287 -39.7965 -8.92882 -72.8639 GPRESSURE: 124000 -63.4968 17.2491 -18.2273 53.1009 -69.398 -78.3971 -48.8692 -4.173 -43.9277 PRESSAVG: 124000 27.3214 3.7042 -28.1847 3.70421 -70.4282 20.5367 -28.1848 20.5368 40.6312 GPRESSAVG: 124000 27.707 4.14642 -27.2389 0.931829 -71.0643 19.5713 -28.4587 20.6413 40.9715 TIMING: 124000 CPU: 366.604, 0.00292518/step Wall: 366.604, 0.00292518/step, 3.962 hours remaining, 202.917969 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: 124000 747.3403 2084.2394 1961.7921 112.4418 -206209.4093 17802.0890 0.0000 0.0000 34133.7199 -149367.7869 298.0983 -183501.5068 -149265.6508 299.3302 -92.1075 -58.9408 559320.4344 -0.8252 -0.7953 PRESSURE: 124200 205.627 -58.4392 36.5295 -58.4403 66.6835 153.463 36.5302 153.464 30.9233 GPRESSURE: 124200 239.197 -101.34 105.98 -52.9565 141.265 82.0913 24.6921 243.518 23.9625 PRESSAVG: 124200 -5.22767 -21.1515 -28.9906 -21.1515 -29.5955 14.5568 -28.9906 14.5567 40.7104 GPRESSAVG: 124200 -4.884 -22.2766 -28.3077 -20.1648 -28.6118 13.5206 -29.0375 16.9854 39.7411 TIMING: 124200 CPU: 367.196, 0.00296328/step Wall: 367.196, 0.00296328/step, 4.01343 hours remaining, 202.917969 MB of memory in use. ENERGY: 124200 729.8348 2114.5270 1965.3948 110.1113 -206354.7736 18000.5863 0.0000 0.0000 34242.4462 -149191.8732 299.0478 -183434.3194 -149091.1619 298.9090 101.0779 134.8079 559085.5410 1.9624 2.0818 LDB: ============= START OF LOAD BALANCING ============== 370.623 LDB: ============== END OF LOAD BALANCING =============== 370.623 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 370.625 LDB: ============= START OF LOAD BALANCING ============== 370.923 LDB: Largest compute 4848 load 0.028593 is 24.3% of average load 0.117641 LDB: Average compute 0.001734 is 1.5% of average load 0.117641 LDB: TIME 370.926 LOAD: AVG 0.117641 MAX 0.198244 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.473 MB LDB: TIME 370.926 LOAD: AVG 0.117641 MAX 0.198244 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.473 MB LDB: TIME 370.926 LOAD: AVG 0.117641 MAX 0.198244 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.473 MB LDB: ============== END OF LOAD BALANCING =============== 370.928 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 370.932 PRESSURE: 124400 88.0854 -58.0587 9.6433 -58.0589 14.3264 -93.5924 9.642 -93.5923 -380.042 GPRESSURE: 124400 103.383 -71.7817 61.3996 -40.2877 61.072 -85.5205 -64.4792 -143.105 -343.951 PRESSAVG: 124400 16.856 -16.4941 -8.20747 -16.4941 8.65295 -2.60453 -8.20736 -2.60447 -8.71851 GPRESSAVG: 124400 15.9861 -16.6407 -8.25294 -16.6424 8.90858 1.81606 -8.12574 -5.53385 -8.23104 TIMING: 124400 CPU: 367.803, 0.00303144/step Wall: 367.803, 0.00303144/step, 4.10557 hours remaining, 203.507812 MB of memory in use. ENERGY: 124400 732.4895 2105.5139 1944.9536 129.2590 -205999.0730 17709.9481 0.0000 0.0000 34136.0823 -149240.8267 298.1189 -183376.9089 -149145.1237 299.0502 -92.5435 -59.8323 558313.5046 5.5968 5.5546 PRESSURE: 124600 128.291 15.8139 0.010551 15.8135 95.2216 -141.588 0.0102383 -141.588 133.424 GPRESSURE: 124600 99.3506 -40.4988 -44.3101 50.0128 154.267 -159.517 37.5285 -109.319 204.277 PRESSAVG: 124600 -39.1991 -39.9659 -21.9792 -39.966 13.0545 -4.71398 -21.9791 -4.71401 12.8696 GPRESSAVG: 124600 -39.7437 -40.0658 -24.0394 -39.3633 12.7273 -9.44225 -19.9409 -3.29656 13.6788 TIMING: 124600 CPU: 368.392, 0.00294945/step Wall: 368.392, 0.00294945/step, 3.99437 hours remaining, 203.507812 MB of memory in use. ENERGY: 124600 801.5034 2038.5207 1972.3769 122.9238 -206558.4591 18220.4830 0.0000 0.0000 34277.1936 -149125.4577 299.3513 -183402.6513 -149036.6888 299.1438 118.9786 152.6315 557053.4102 -4.4250 -4.4459 PRESSURE: 124800 113.553 -70.1517 17.0905 -70.153 -176.341 -43.7498 17.0909 -43.7503 146.842 GPRESSURE: 124800 81.3145 -53.3642 51.3214 -135.475 -93.3785 47.5334 37.3456 -161.738 201.847 PRESSAVG: 124800 27.6966 -55.6812 -23.7252 -55.6811 -34.0797 15.1013 -23.7253 15.1012 38.4856 GPRESSAVG: 124800 28.0627 -56.6147 -21.8011 -54.8336 -33.3619 17.2035 -26.0789 12.571 37.81 TIMING: 124800 CPU: 368.98, 0.0029371/step Wall: 368.98, 0.0029371/step, 3.97748 hours remaining, 203.507812 MB of memory in use. ENERGY: 124800 734.8300 2087.5989 1959.9045 109.2835 -206157.9334 17740.1298 0.0000 0.0000 34449.5558 -149076.6308 300.8565 -183526.1866 -148984.0692 299.8293 28.0181 63.2610 557348.9309 10.7008 10.8369 PRESSURE: 125000 140.66 -55.8573 -4.11006 -55.8583 -245.29 100.565 -4.11096 100.566 -12.93 GPRESSURE: 125000 183.872 -86.7612 61.4746 -30.5713 -161.583 142.143 40.6773 123.026 -41.6563 PRESSAVG: 125000 19.3298 -83.9639 -44.1187 -83.9639 -26.2914 23.4231 -44.1187 23.423 2.80439 GPRESSAVG: 125000 19.6908 -81.2487 -46.1287 -84.9663 -26.0973 22.0046 -42.8035 27.3386 2.59028 TIMING: 125000 CPU: 369.569, 0.00294832/step Wall: 369.569, 0.00294832/step, 3.99252 hours remaining, 203.507812 MB of memory in use. ENERGY: 125000 737.8565 2108.5384 1956.5387 125.1312 -206039.6771 17767.2397 0.0000 0.0000 34346.5127 -148997.8599 299.9566 -183344.3726 -148900.2817 299.0670 -39.1868 -6.4560 558902.1057 -1.3857 -1.2721 PRESSURE: 125200 0.795552 -132.531 -87.7775 -132.531 46.1548 -159.331 -87.7779 -159.331 99.9044 GPRESSURE: 125200 -5.22328 -84.813 -68.6087 -139.967 105.484 -106.62 -42.5587 -223.818 129.3 PRESSAVG: 125200 -0.58737 -17.9415 30.0368 -17.9415 37.6552 -25.8489 30.0368 -25.8489 -14.3901 GPRESSAVG: 125200 -1.13779 -19.143 31.8975 -16.0534 35.1988 -24.6941 28.426 -28.655 -12.4593 TIMING: 125200 CPU: 370.16, 0.00295395/step Wall: 370.16, 0.00295395/step, 3.99998 hours remaining, 203.507812 MB of memory in use. ENERGY: 125200 738.9459 2085.8496 1942.5059 108.9056 -206331.6989 17984.8084 0.0000 0.0000 34261.5249 -149209.1586 299.2144 -183470.6835 -149114.0217 299.0863 48.9516 76.5202 558576.0857 7.5592 7.2005 PRESSURE: 125400 -180.004 -44.6057 -78.8112 -44.6059 -140.321 76.7772 -78.8132 76.778 11.4833 GPRESSURE: 125400 -156.122 -56.823 -50.2903 -18.4964 -138.958 118.732 -117.131 128.125 81.9595 PRESSAVG: 125400 68.053 -38.7696 14.7463 -38.7698 4.17229 -29.4057 14.7461 -29.4057 -30.0453 GPRESSAVG: 125400 68.8757 -41.2428 14.8419 -39.4405 3.8074 -29.9523 17.0801 -29.1191 -31.116 TIMING: 125400 CPU: 370.755, 0.00297408/step Wall: 370.755, 0.00297408/step, 4.02707 hours remaining, 203.507812 MB of memory in use. ENERGY: 125400 737.0346 2080.5323 1968.3120 132.5650 -205540.2935 17509.7877 0.0000 0.0000 34041.0443 -149071.0175 297.2889 -183112.0619 -148971.9796 299.5196 -102.9471 -71.0401 559230.2938 14.0600 13.8557 PRESSURE: 125600 -173.911 -96.2165 -140.631 -96.2165 -59.7305 -106.434 -140.632 -106.432 -105.29 GPRESSURE: 125600 -117.604 -46.8792 -144.487 -103.975 -25.3821 -29.0475 -161.405 -162.081 -84.0813 PRESSAVG: 125600 -64.3519 12.6561 -30.2694 12.6562 -47.9577 -28.554 -30.2694 -28.5538 25.1653 GPRESSAVG: 125600 -64.9538 15.6694 -29.964 9.6352 -47.0712 -29.568 -30.8201 -29.1565 24.9854 TIMING: 125600 CPU: 371.356, 0.00300236/step Wall: 371.356, 0.00300236/step, 4.0652 hours remaining, 203.507812 MB of memory in use. ENERGY: 125600 770.9829 2068.7580 1943.4585 124.9138 -206138.0389 17707.8358 0.0000 0.0000 34457.6445 -149064.4454 300.9272 -183522.0899 -148970.8609 299.4907 -112.9773 -75.6891 558313.4168 -29.0481 -29.0132 PRESSURE: 125800 -96.9205 -120.738 180.523 -120.737 -5.79677 30.7855 180.522 30.7851 -127.354 GPRESSURE: 125800 -83.7533 -115.153 145.949 -173.212 45.8441 25.0292 147.874 14.6778 -89.2691 PRESSAVG: 125800 -24.8877 -17.9151 12.4592 -17.915 15.7327 0.212078 12.4593 0.211971 13.6858 GPRESSAVG: 125800 -26.0135 -18.8999 13.9024 -16.6872 16.668 0.604365 9.24875 2.12436 13.8611 TIMING: 125800 CPU: 371.95, 0.00296991/step Wall: 371.95, 0.00296991/step, 4.02109 hours remaining, 203.507812 MB of memory in use. ENERGY: 125800 755.9076 2080.7921 1953.1252 108.1685 -206173.5615 17765.8093 0.0000 0.0000 34322.3337 -149187.4251 299.7455 -183509.7588 -149084.9869 300.7725 -76.6904 -42.3928 558950.2420 1.5103 1.5052 PRESSURE: 126000 -281.851 -12.2953 146.045 -12.2957 -68.626 -43.0839 146.043 -43.0838 -57.3648 GPRESSURE: 126000 -250.713 -49.7441 147.257 -4.19953 -50.6772 9.27221 132.237 -86.0272 -6.22851 PRESSAVG: 126000 -88.2659 14.4034 -4.59763 14.4034 48.0312 -47.3141 -4.59759 -47.3141 1.72008 GPRESSAVG: 126000 -87.2366 14.5857 -6.52095 14.8875 46.8159 -46.128 -1.8715 -49.4148 1.53771 TIMING: 126000 CPU: 372.542, 0.00296043/step Wall: 372.542, 0.00296043/step, 4.00809 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: 126000 786.8325 2087.6963 1952.8168 107.8801 -205944.9019 17614.0819 0.0000 0.0000 34330.7997 -149064.7946 299.8194 -183395.5943 -148967.6348 299.7545 -135.9474 -102.5397 558641.5806 -12.8382 -12.9610 PRESSURE: 126200 -197.61 -24.9089 -35.7105 -24.9092 -199.842 31.5423 -35.7095 31.5418 -125.144 GPRESSURE: 126200 -156.218 -10.7151 -8.43857 -14.8814 -108.841 45.262 -23.076 31.2884 -165.54 PRESSAVG: 126200 -84.6526 22.1911 3.41148 22.191 68.135 22.4097 3.4114 22.4097 13.112 GPRESSAVG: 126200 -84.8903 22.1963 5.95348 23.5751 69.347 19.0397 2.12105 24.6693 12.1751 TIMING: 126200 CPU: 373.133, 0.00295438/step Wall: 373.133, 0.00295438/step, 3.99974 hours remaining, 203.507812 MB of memory in use. ENERGY: 126200 763.8685 2099.5499 1987.9435 116.0366 -205715.0865 17477.0029 0.0000 0.0000 34362.9223 -148907.7629 300.0999 -183270.6851 -148804.7740 299.9030 -174.1988 -143.5331 558036.3188 -1.1352 -1.1227 PRESSURE: 126400 114.292 -38.9156 9.33839 -38.9165 257.902 46.2422 9.33904 46.2422 327.791 GPRESSURE: 126400 157.445 -118.339 -21.0693 45.31 299.37 0.712848 -25.1131 83.7009 342.274 PRESSAVG: 126400 16.9068 -37.6673 -2.46963 -37.6673 15.4661 4.19019 -2.46969 4.19021 -36.7508 GPRESSAVG: 126400 17.4887 -36.9478 -5.07179 -37.9269 14.6106 4.89895 -1.58506 4.75861 -36.9107 TIMING: 126400 CPU: 373.722, 0.00294873/step Wall: 373.722, 0.00294873/step, 3.99193 hours remaining, 203.507812 MB of memory in use. ENERGY: 126400 757.5724 2066.0569 1958.2693 123.2547 -206201.3796 18131.0345 0.0000 0.0000 34388.8783 -148776.3136 300.3266 -183165.1919 -148675.2222 300.3614 233.3283 266.3628 559019.9123 -1.4593 -1.6038 PRESSURE: 126600 -8.01828 105.399 -39.0002 105.4 -106.745 -181.234 -39.001 -181.234 -147.04 GPRESSURE: 126600 61.2338 77.0688 -42.9799 57.8064 -76.2348 -154.686 -4.36538 -100.649 -133.428 PRESSAVG: 126600 32.2698 9.95464 -8.70287 9.9546 52.8584 -16.0837 -8.70285 -16.0837 -59.1145 GPRESSAVG: 126600 31.6313 7.39134 -10.3049 11.5226 53.8974 -15.93 -7.34543 -15.7355 -58.8848 TIMING: 126600 CPU: 374.311, 0.00294619/step Wall: 374.311, 0.00294619/step, 3.98832 hours remaining, 203.507812 MB of memory in use. ENERGY: 126600 795.2263 2072.1191 1970.7052 119.2572 -205990.9476 17846.0814 0.0000 0.0000 34476.6585 -148710.8998 301.0932 -183187.5583 -148612.6116 300.8770 -87.2678 -49.4763 559082.7261 8.6712 8.8813 PRESSURE: 126800 -5.62659 165.616 58.1117 165.615 -181.782 139.246 58.1116 139.247 -77.0444 GPRESSURE: 126800 39.6026 157.531 71.7329 144.671 -123.369 138.756 101.615 144.725 -82.3514 PRESSAVG: 126800 -10.7326 -26.9823 -13.1903 -26.9824 -4.4893 -4.59912 -13.1904 -4.59905 -23.7953 GPRESSAVG: 126800 -11.1774 -24.8937 -11.49 -29.127 -4.37312 -3.94644 -14.4736 -6.594 -23.554 TIMING: 126800 CPU: 374.897, 0.0029256/step Wall: 374.897, 0.0029256/step, 3.96029 hours remaining, 203.507812 MB of memory in use. ENERGY: 126800 751.4478 2115.5486 1968.4627 125.7786 -205791.7538 17638.5793 0.0000 0.0000 34460.3633 -148731.5735 300.9509 -183191.9368 -148642.4576 300.7888 -88.1509 -55.3726 558282.6949 -13.0057 -13.0348 PRESSURE: 127000 -26.8534 -72.1923 -35.9472 -72.1934 88.4357 3.37866 -35.9447 3.3797 -178.977 GPRESSURE: 127000 -17.3901 -87.5961 15.3589 -72.9125 149.957 8.4795 -84.5215 95.9733 -153.159 PRESSAVG: 127000 3.80723 40.2137 10.3589 40.2136 68.2425 -11.588 10.3588 -11.5879 -37.2936 GPRESSAVG: 127000 5.69544 40.4359 11.7623 40.0156 67.2552 -11.0638 10.446 -11.7603 -38.3747 TIMING: 127000 CPU: 375.493, 0.00298406/step Wall: 375.493, 0.00298406/step, 4.03925 hours remaining, 203.507812 MB of memory in use. ENERGY: 127000 749.1740 2110.8209 1959.8959 111.0296 -206290.8445 18061.6790 0.0000 0.0000 34668.4680 -148629.7771 302.7684 -183298.2451 -148533.7269 300.7645 -39.1315 -6.8640 557508.2604 11.5854 11.5253 PRESSURE: 127200 -141.743 104.034 -55.9169 104.034 -99.8661 59.66 -55.9195 59.6596 -125.775 GPRESSURE: 127200 -64.7798 34.5468 -118.892 153.014 -116.596 7.2633 -40.9342 54.9649 -77.5759 PRESSAVG: 127200 23.4237 -26.4134 12.1911 -26.4134 -54.3671 22.4315 12.1911 22.4315 18.227 GPRESSAVG: 127200 22.3963 -24.8359 11.2604 -27.143 -55.0421 21.8151 11.5345 21.0986 19.6596 TIMING: 127200 CPU: 376.088, 0.00297117/step Wall: 376.088, 0.00297117/step, 4.02164 hours remaining, 203.507812 MB of memory in use. ENERGY: 127200 756.6928 2117.5244 1967.3020 129.9199 -205883.4071 17863.8998 0.0000 0.0000 34346.1211 -148701.9471 299.9532 -183048.0683 -148606.5145 300.8132 -122.4614 -86.3171 559198.1237 -4.2388 -4.3287 PRESSURE: 127400 72.2059 18.4908 -142.998 18.4898 158.877 65.6111 -142.997 65.6122 -8.09809 GPRESSURE: 127400 108.224 34.0683 -154.635 -71.0434 164.718 48.6219 -169.174 68.3071 46.6163 PRESSAVG: 127400 23.7505 -58.3366 -52.4518 -58.3366 27.3024 27.1007 -52.4518 27.1008 -51.7202 GPRESSAVG: 127400 24.2554 -60.624 -50.737 -57.4931 27.0721 26.2462 -52.3299 29.0528 -52.3543 TIMING: 127400 CPU: 376.69, 0.00301412/step Wall: 376.69, 0.00301412/step, 4.07961 hours remaining, 203.507812 MB of memory in use. ENERGY: 127400 745.8135 2113.5247 1964.1967 117.6248 -206147.6609 17985.8172 0.0000 0.0000 34523.0656 -148697.6185 301.4985 -183220.6841 -148601.7429 300.5345 74.3283 106.5196 560313.9826 -0.2224 -0.3423 PRESSURE: 127600 -37.9838 95.9005 -70.7601 95.9008 -152.594 203.122 -70.7611 203.121 -133.195 GPRESSURE: 127600 -29.3449 79.7642 -121.849 86.8285 -127.794 218.754 -148.883 162.221 -71.5455 PRESSAVG: 127600 -13.1022 -25.2697 -55.4461 -25.2696 17.6246 82.6791 -55.446 82.679 -54.0127 GPRESSAVG: 127600 -14.4006 -25.9245 -56.7618 -23.7861 17.4234 83.3682 -56.1914 83.4006 -52.4709 TIMING: 127600 CPU: 377.281, 0.00295311/step Wall: 377.281, 0.00295311/step, 3.99687 hours remaining, 203.507812 MB of memory in use. ENERGY: 127600 731.1055 2130.3859 1947.7349 113.6322 -205964.9528 17732.0574 0.0000 0.0000 34645.6310 -148664.4058 302.5689 -183310.0368 -148573.3130 300.6760 -107.9243 -76.2280 559252.4392 -16.4968 -16.4827 PRESSURE: 127800 193.479 76.7536 -26.5748 76.755 79.9435 3.82413 -26.5749 3.82466 -31.9146 GPRESSURE: 127800 177.169 40.6033 -24.7062 143.772 152.289 77.2532 -1.16042 40.4 3.60655 PRESSAVG: 127800 6.14636 17.055 -6.92845 17.055 -58.3169 -13.3943 -6.9284 -13.3942 36.0286 GPRESSAVG: 127800 6.45353 17.3628 -7.6632 16.9407 -58.005 -11.0013 -5.25122 -14.7932 35.0241 TIMING: 127800 CPU: 377.873, 0.00296055/step Wall: 377.873, 0.00296055/step, 4.00678 hours remaining, 203.507812 MB of memory in use. ENERGY: 127800 708.0226 2066.4756 1963.3502 132.0569 -205902.3939 17971.5370 0.0000 0.0000 34394.2905 -148666.6610 300.3739 -183060.9516 -148569.3783 301.4607 80.5027 111.0216 557956.0297 -5.3807 -5.5091 PRESSURE: 128000 -110.276 -27.3783 -91.0159 -27.3788 -223.125 164.638 -91.0158 164.638 -100.513 GPRESSURE: 128000 -102.071 11.7958 -32.0254 -19.807 -159.494 210.428 -124.987 167.124 -93.553 PRESSAVG: 128000 29.9861 51.2127 45.4942 51.2126 -14.9773 18.5385 45.4942 18.5385 -18.8286 GPRESSAVG: 128000 29.7208 50.9997 45.4093 50.7482 -14.2575 15.3659 44.4759 19.9484 -19.7183 TIMING: 128000 CPU: 378.461, 0.00293651/step Wall: 378.461, 0.00293651/step, 3.97407 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: 128000 765.0300 2082.7808 1989.7986 114.6183 -205456.5356 17519.1522 0.0000 0.0000 34215.8692 -148769.2866 298.8157 -182985.1557 -148673.1094 301.0294 -144.6381 -118.3729 559480.6748 -1.2733 -1.4183 PRESSURE: 128200 -148.692 -12.7701 126.905 -12.7697 -92.7748 162.326 126.906 162.325 -215.764 GPRESSURE: 128200 -84.4743 47.7787 14.5348 -8.26154 -102.737 144.128 220.4 170.352 -167.18 PRESSAVG: 128200 -6.60415 14.7629 -28.4717 14.7628 3.53143 68.9942 -28.4716 68.9942 20.6683 GPRESSAVG: 128200 -5.89784 15.5739 -28.6473 15.5904 2.55043 71.2223 -27.7058 67.2563 21.0949 TIMING: 128200 CPU: 379.047, 0.00293319/step Wall: 379.047, 0.00293319/step, 3.96942 hours remaining, 203.507812 MB of memory in use. ENERGY: 128200 708.1938 2055.2419 1967.1215 114.4429 -205402.0064 17411.4691 0.0000 0.0000 34373.7126 -148771.8246 300.1942 -183145.5372 -148673.2560 300.5874 -152.4103 -118.1303 558707.2118 5.8652 5.9158 LDB: ============= START OF LOAD BALANCING ============== 382.47 LDB: ============== END OF LOAD BALANCING =============== 382.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 382.472 LDB: ============= START OF LOAD BALANCING ============== 382.766 LDB: Largest compute 4848 load 0.027730 is 23.6% of average load 0.117693 LDB: Average compute 0.001737 is 1.5% of average load 0.117693 LDB: TIME 382.768 LOAD: AVG 0.117693 MAX 0.195252 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.086 MB LDB: TIME 382.768 LOAD: AVG 0.117693 MAX 0.195252 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.16 MB LDB: TIME 382.768 LOAD: AVG 0.117693 MAX 0.195252 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.16 MB LDB: ============== END OF LOAD BALANCING =============== 382.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 382.774 PRESSURE: 128400 -134.013 122.123 -137.644 122.123 121.521 -4.72431 -137.644 -4.72274 -213.301 GPRESSURE: 128400 -107.359 79.334 -135.194 156.332 167.98 11.4395 -127.246 30.1878 -192.83 PRESSAVG: 128400 7.93325 -5.47374 44.2306 -5.47372 -33.3792 69.0859 44.2306 69.0859 11.6694 GPRESSAVG: 128400 7.17535 -5.21412 42.887 -7.52344 -33.3335 70.2964 45.4527 69.5997 11.7294 TIMING: 128400 CPU: 379.644, 0.00298617/step Wall: 379.644, 0.00298617/step, 4.04096 hours remaining, 203.304688 MB of memory in use. ENERGY: 128400 779.7940 2100.5753 1937.9991 102.5433 -206426.8402 18063.8396 0.0000 0.0000 34505.5729 -148936.5161 301.3457 -183442.0890 -148849.5003 300.3426 -75.2647 -44.0693 558595.6706 -4.5922 -4.8096 PRESSURE: 128600 -339.754 -91.2447 -73.0595 -91.2447 -68.638 -109.385 -73.0607 -109.388 -46.7168 GPRESSURE: 128600 -290.529 -161.205 -78.3527 -13.6076 -25.5636 -65.4106 -26.6697 -162.62 -48.2518 PRESSAVG: 128600 2.76369 7.67147 -22.8333 7.67161 -36.1352 19.8716 -22.8331 19.8716 84.4677 GPRESSAVG: 128600 3.60279 6.42875 -21.1715 7.6978 -36.4938 19.3889 -23.6272 18.6471 83.9173 TIMING: 128600 CPU: 380.235, 0.00295493/step Wall: 380.235, 0.00295493/step, 3.99852 hours remaining, 203.304688 MB of memory in use. ENERGY: 128600 788.4929 2086.8416 1958.8893 114.8185 -205623.8060 17658.3298 0.0000 0.0000 34136.6327 -148879.8012 298.1237 -183016.4339 -148777.4925 299.9980 -151.7028 -121.4482 558308.0638 17.0321 17.0088 PRESSURE: 128800 74.0012 114.921 60.0374 114.923 288.918 -98.3843 60.0368 -98.3845 -146.675 GPRESSURE: 128800 106.866 113.459 148.026 158.971 282.246 -138.529 105.163 -122.13 -73.9568 PRESSAVG: 128800 12.9505 12.3007 -22.8925 12.3006 15.8455 12.7276 -22.8925 12.7276 -8.25479 GPRESSAVG: 128800 12.5861 12.7505 -23.8592 13.1123 15.64 12.6473 -22.9502 14.8851 -6.63713 TIMING: 128800 CPU: 380.826, 0.0029548/step Wall: 380.826, 0.0029548/step, 3.99817 hours remaining, 203.304688 MB of memory in use. ENERGY: 128800 778.2010 2109.7154 1973.6226 117.1858 -206069.4079 17845.6754 0.0000 0.0000 34236.6914 -149008.3163 298.9975 -183245.0076 -148912.9464 298.6346 72.0813 105.0518 556974.7010 6.8470 7.1963 PRESSURE: 129000 159.254 207.632 161.824 207.632 -45.4763 31.369 161.824 31.3692 -95.1338 GPRESSURE: 129000 167.369 224.882 127.477 129.431 -20.3738 8.05404 107.869 43.6836 -27.9689 PRESSAVG: 129000 -5.20011 11.5062 -1.53505 11.5062 -5.97246 3.62332 -1.53504 3.62327 0.395912 GPRESSAVG: 129000 -3.69013 12.6709 -1.56493 10.5954 -6.25679 4.05095 -1.5651 0.770716 -0.770589 TIMING: 129000 CPU: 381.418, 0.00295759/step Wall: 381.418, 0.00295759/step, 4.00179 hours remaining, 203.304688 MB of memory in use. ENERGY: 129000 771.2586 2081.6219 1950.4444 126.5870 -206272.7485 17926.0959 0.0000 0.0000 34364.4970 -149052.2436 300.1137 -183416.7406 -148947.7749 299.4486 6.2145 39.6754 558210.8724 -3.5922 -3.5725 PRESSURE: 129200 -254.548 -12.0767 -18.8802 -12.079 -297.484 -33.7971 -18.8815 -33.7959 58.9357 GPRESSURE: 129200 -231.308 -58.4572 -67.6396 -33.0292 -291.392 24.1647 -18.423 5.23847 121.411 PRESSAVG: 129200 -4.98113 28.2155 49.7385 28.2154 -66.2743 24.1709 49.7385 24.171 80.3611 GPRESSAVG: 129200 -6.19839 25.9239 50.3633 27.4941 -66.8801 23.4719 48.8896 23.9881 81.5619 TIMING: 129200 CPU: 382.009, 0.00295618/step Wall: 382.009, 0.00295618/step, 3.99972 hours remaining, 203.304688 MB of memory in use. ENERGY: 129200 754.7212 2051.9837 1960.7639 105.8175 -205857.1646 17609.4526 0.0000 0.0000 34300.9144 -149073.5113 299.5584 -183374.4257 -148976.1118 300.2516 -164.3655 -133.7628 557221.3567 3.0352 2.8278 PRESSURE: 129400 -123.215 0.149951 20.9199 0.149298 -128.432 -44.6766 20.9197 -44.6774 -37.3689 GPRESSURE: 129400 -119.125 60.5595 -161.609 22.0499 -80.7688 -32.011 35.7118 -36.6276 11.4887 PRESSAVG: 129400 4.08883 -22.5123 -7.69828 -22.5123 -12.5289 11.5871 -7.69829 11.5871 -2.19365 GPRESSAVG: 129400 5.15891 -20.6115 -7.2142 -21.6291 -12.114 9.84161 -7.72571 13.4821 -3.69918 TIMING: 129400 CPU: 382.6, 0.00295526/step Wall: 382.6, 0.00295526/step, 3.9983 hours remaining, 203.304688 MB of memory in use. ENERGY: 129400 717.9939 2082.8121 1947.3847 120.3853 -205817.1816 17617.4217 0.0000 0.0000 34351.5336 -148979.6502 300.0005 -183331.1839 -148882.9691 299.7886 -96.3385 -62.8015 558464.8532 -3.5446 -3.5514 PRESSURE: 129600 -112.64 38.4652 -60.5048 38.4657 -77.7042 -22.469 -60.5044 -22.4687 101.946 GPRESSURE: 129600 -36.5472 22.8848 -57.0117 59.3654 -60.9844 -17.2151 -84.5097 -29.9849 97.2143 PRESSAVG: 129600 41.1875 -14.0275 7.48212 -14.0275 -1.22503 -53.1258 7.48205 -53.1258 -15.0207 GPRESSAVG: 129600 40.3722 -15.9854 7.98773 -11.9095 0.00586277 -51.7736 6.28535 -52.8719 -15.6487 TIMING: 129600 CPU: 383.191, 0.00295284/step Wall: 383.191, 0.00295284/step, 3.99487 hours remaining, 203.304688 MB of memory in use. ENERGY: 129600 764.2759 2041.0794 1957.9414 119.2857 -205949.0921 17768.8823 0.0000 0.0000 34211.8207 -149085.8067 298.7803 -183297.6274 -149000.2444 299.1896 -29.4660 -0.1058 557559.0374 8.3139 8.2431 PRESSURE: 129800 -165.01 27.4468 -39.9661 27.4471 -376.402 -17.123 -39.9659 -17.1239 86.6727 GPRESSURE: 129800 -95.298 40.674 -100.941 -36.5464 -383.813 9.17804 -19.2629 -126.449 116.601 PRESSAVG: 129800 38.3689 -7.36231 -0.254844 -7.36225 -111.544 -43.7097 -0.254847 -43.7096 94.2945 GPRESSAVG: 129800 38.1323 -7.51466 -0.49446 -7.84705 -112.144 -43.6527 2.36555 -44.4297 95.3803 TIMING: 129800 CPU: 383.78, 0.00294776/step Wall: 383.78, 0.00294776/step, 3.98783 hours remaining, 203.304688 MB of memory in use. ENERGY: 129800 725.7037 2123.8824 1945.4346 121.1165 -205842.3345 17513.9678 0.0000 0.0000 34434.6953 -148977.5343 300.7268 -183412.2295 -148886.5265 299.8840 -151.5797 -120.8366 556859.0512 7.0399 7.1230 PRESSURE: 130000 -22.0754 78.4238 -31.3829 78.4223 40.3169 -142.728 -31.3821 -142.725 -52.9339 GPRESSURE: 130000 62.2293 97.6177 19.1759 76.4034 60.8527 -183.793 -90.7908 -25.6745 -54.5988 PRESSAVG: 130000 0.422899 18.0226 3.23015 18.0226 -18.1593 -21.8544 3.23009 -21.8545 24.9002 GPRESSAVG: 130000 1.30885 19.8341 4.01327 15.4631 -17.8721 -23.5633 3.00982 -20.4877 23.7401 TIMING: 130000 CPU: 384.365, 0.00292317/step Wall: 384.365, 0.00292317/step, 3.9544 hours remaining, 203.304688 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: 130000 740.1375 2069.2853 1951.1631 115.6602 -206068.9650 17830.6683 0.0000 0.0000 34352.9404 -149009.1102 300.0128 -183362.0506 -148906.7738 299.7545 -11.5641 22.8277 557719.0651 2.3879 2.3923 PRESSURE: 130200 141.661 42.7268 116.846 42.7274 40.155 -14.5242 116.846 -14.5226 238.696 GPRESSURE: 130200 145.829 21.6478 154.718 14.0182 90.4109 -0.877317 125.309 -60.9595 278.745 PRESSAVG: 130200 37.6668 26.5929 47.6155 26.5929 30.2563 10.8869 47.6156 10.8869 -24.2709 GPRESSAVG: 130200 37.8086 25.098 46.3234 26.9749 29.1538 12.662 47.5968 10.5859 -23.2818 TIMING: 130200 CPU: 384.951, 0.00293302/step Wall: 384.951, 0.00293302/step, 3.96756 hours remaining, 203.304688 MB of memory in use. ENERGY: 130200 702.0445 2075.9766 1975.6897 111.9927 -206185.2774 18075.7151 0.0000 0.0000 34174.0900 -149069.7688 298.4508 -183243.8588 -148969.7649 298.8238 140.1707 171.6617 558495.5703 14.5507 14.5602 PRESSURE: 130400 13.8878 -121.044 83.791 -121.044 208.674 133.122 83.7904 133.121 301.471 GPRESSURE: 130400 37.1568 -118.763 134.139 -58.8149 260.216 193.701 27.1177 143.885 323.137 PRESSAVG: 130400 -26.5679 -4.6324 26.6051 -4.63243 73.2437 13.1484 26.605 13.1485 -50.0166 GPRESSAVG: 130400 -28.3888 -3.15539 28.2949 -5.12696 75.4608 12.1821 26.223 12.1682 -50.7962 TIMING: 130400 CPU: 385.536, 0.00292327/step Wall: 385.536, 0.00292327/step, 3.95421 hours remaining, 203.304688 MB of memory in use. ENERGY: 130400 738.8090 2078.8509 1956.1611 107.4581 -206595.1423 18178.1985 0.0000 0.0000 34326.4422 -149209.2225 299.7814 -183535.6647 -149110.8052 299.1054 174.6776 206.8367 559426.2251 -1.1136 -1.2414 PRESSURE: 130600 48.2003 -12.6559 -87.6121 -12.6549 -268.978 76.5047 -87.6135 76.5029 17.3445 GPRESSURE: 130600 47.6921 58.2334 -85.8776 -23.6758 -205.976 82.5153 -25.5934 40.5178 62.6366 PRESSAVG: 130600 -54.2169 -6.26362 -40.8186 -6.26356 -4.3812 -24.4335 -40.8187 -24.4336 52.9182 GPRESSAVG: 130600 -53.7875 -8.32455 -43.7825 -2.71889 -5.56279 -22.5914 -39.7188 -25.8467 53.63 TIMING: 130600 CPU: 386.126, 0.00294969/step Wall: 386.126, 0.00294969/step, 3.98978 hours remaining, 203.304688 MB of memory in use. ENERGY: 130600 705.3448 2044.3995 1967.4656 122.5236 -206193.9264 17765.0218 0.0000 0.0000 34230.8464 -149358.3248 298.9465 -183589.1711 -149257.6866 298.4041 -67.8110 -31.8825 558839.6672 -1.8933 -1.9067 PRESSURE: 130800 50.4618 -15.7459 -8.79899 -15.7463 -320.349 -24.695 -8.7988 -24.6939 -111.79 GPRESSURE: 130800 32.181 34.3781 24.0015 -33.8343 -254.101 -11.8772 -11.8381 -46.3889 -62.8777 PRESSAVG: 130800 52.2847 0.561495 31.4111 0.561635 -23.5129 -4.4842 31.4111 -4.4843 -17.2912 GPRESSAVG: 130800 51.4925 2.8341 34.6588 -2.82401 -23.1593 -7.19181 28.9443 -0.961378 -16.7372 TIMING: 130800 CPU: 386.716, 0.00295157/step Wall: 386.716, 0.00295157/step, 3.99217 hours remaining, 203.304688 MB of memory in use. ENERGY: 130800 768.5348 2022.9145 1955.1569 110.2821 -205878.4823 17637.5853 0.0000 0.0000 34042.2281 -149341.7806 297.2992 -183384.0087 -149239.7762 298.6413 -127.2256 -94.9324 558250.1570 3.8269 3.8653 PRESSURE: 131000 -12.2168 20.46 125.435 20.4595 -57.1802 12.9866 125.435 12.9861 33.1317 GPRESSURE: 131000 -11.8001 -18.5418 207.655 51.6155 11.8942 11.8787 60.3061 3.15554 53.2185 PRESSAVG: 131000 36.0593 11.9127 31.0196 11.9127 -11.7991 7.36232 31.0196 7.3624 -33.1553 GPRESSAVG: 131000 37.2133 11.1645 29.9629 13.3506 -11.7209 7.53659 31.3202 6.94447 -34.3106 TIMING: 131000 CPU: 387.308, 0.0029601/step Wall: 387.308, 0.0029601/step, 4.00354 hours remaining, 203.304688 MB of memory in use. ENERGY: 131000 748.1586 2113.7806 1955.5904 114.0148 -206553.3840 18007.0545 0.0000 0.0000 34249.0956 -149365.6895 299.1059 -183614.7850 -149272.9116 298.0939 -12.0884 17.7709 558832.6083 -2.9650 -2.9394 PRESSURE: 131200 -173.56 -12.5235 104.356 -12.5245 -134.328 70.8571 104.356 70.8558 -43.674 GPRESSURE: 131200 -127.69 98.6743 91.7218 -113.45 -104.435 64.5637 96.6597 45.9698 -35.7594 PRESSAVG: 131200 5.55681 -10.8114 39.6433 -10.8115 21.4847 13.0435 39.6433 13.0434 -28.6942 GPRESSAVG: 131200 6.04315 -11.5634 39.7409 -12.1262 21.2735 13.589 41.1246 9.59212 -29.0173 TIMING: 131200 CPU: 387.901, 0.0029649/step Wall: 387.901, 0.0029649/step, 4.00987 hours remaining, 203.304688 MB of memory in use. ENERGY: 131200 749.7509 2069.2427 1946.1409 117.4953 -206353.9166 17832.9929 0.0000 0.0000 34056.8424 -149581.4514 297.4269 -183638.2938 -149479.4871 298.1171 -117.1874 -89.2949 558294.4478 -0.5509 -0.5669 PRESSURE: 131400 240.464 118.836 -11.4557 118.835 -93.9861 -73.8101 -11.4555 -73.81 248.831 GPRESSURE: 131400 280.333 63.8811 11.1865 102.955 -99.2172 -84.7046 -19.0931 -46.1686 305.246 PRESSAVG: 131400 58.5576 -34.3237 -28.1687 -34.3237 -48.4804 -31.563 -28.1687 -31.5631 -12.8235 GPRESSAVG: 131400 57.2273 -33.4173 -29.2078 -33.7448 -47.8794 -31.3846 -28.4008 -29.4231 -12.3907 TIMING: 131400 CPU: 388.492, 0.00295323/step Wall: 388.492, 0.00295323/step, 3.99391 hours remaining, 203.304688 MB of memory in use. ENERGY: 131400 726.0282 2145.2962 1952.7346 119.5209 -206523.7764 18068.6305 0.0000 0.0000 34116.2668 -149395.2991 297.9458 -183511.5660 -149297.5388 298.4243 131.7694 162.1203 558782.1865 -0.9154 -1.0142 PRESSURE: 131600 -56.2188 14.657 165.74 14.6565 264.52 95.5351 165.741 95.5358 4.70913 GPRESSURE: 131600 -46.6996 -49.6565 110.749 23.45 318.072 -23.1084 229.228 104.172 24.9177 PRESSAVG: 131600 7.63847 8.48509 11.458 8.48509 -46.3743 -6.03985 11.4581 -6.03981 51.9384 GPRESSAVG: 131600 7.88621 8.41497 10.7852 10.0977 -46.9112 -6.18842 11.6015 -5.87449 52.253 TIMING: 131600 CPU: 389.082, 0.00295162/step Wall: 389.082, 0.00295162/step, 3.99158 hours remaining, 203.304688 MB of memory in use. ENERGY: 131600 733.2734 2136.4759 1945.1736 110.1980 -206706.5207 18224.0384 0.0000 0.0000 34175.5169 -149381.8446 298.4633 -183557.3615 -149288.6611 298.6771 71.0034 98.7635 558962.2085 4.4009 4.4094 PRESSURE: 131800 -7.08226 115.382 38.6261 115.383 -216.841 -59.016 38.6271 -59.0158 -195.454 GPRESSURE: 131800 -14.0731 92.6741 -67.5957 127.696 -221.329 5.50134 155.436 -2.43667 -88.5583 PRESSAVG: 131800 54.9304 -26.1697 10.6178 -26.1697 -34.338 -21.5002 10.6178 -21.5003 -2.25378 GPRESSAVG: 131800 55.9258 -26.1936 11.8354 -26.3278 -35.1424 -21.2489 9.13013 -22.0856 -2.59654 TIMING: 131800 CPU: 389.672, 0.00294737/step Wall: 389.672, 0.00294737/step, 3.98566 hours remaining, 203.304688 MB of memory in use. ENERGY: 131800 753.5258 2084.7574 1955.1787 101.2570 -206182.5038 17608.4229 0.0000 0.0000 34314.6588 -149364.7031 299.6785 -183679.3619 -149277.8562 299.2075 -139.7922 -107.9867 558150.5768 6.1129 6.0623 PRESSURE: 132000 -357.921 96.9003 -6.31915 96.9004 -498.897 235.346 -6.31809 235.346 -142.04 GPRESSURE: 132000 -332.397 97.0213 -23.0214 55.505 -439.755 208.287 -12.1691 241.431 -127.683 PRESSAVG: 132000 -16.3443 3.78934 -60.8598 3.78934 15.2326 34.6689 -60.8598 34.6689 -21.9252 GPRESSAVG: 132000 -16.2246 2.65404 -62.5288 2.92563 15.5307 35.6199 -59.5941 33.4958 -22.2088 TIMING: 132000 CPU: 390.266, 0.00296932/step Wall: 390.266, 0.00296932/step, 4.01518 hours remaining, 203.304688 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: 132000 776.2420 2111.2361 1958.6423 119.0178 -206298.4542 17667.9684 0.0000 0.0000 34231.0898 -149434.2577 298.9486 -183665.3476 -149334.4568 298.1928 -332.9528 -299.9450 559752.1741 -7.6790 -7.6343 PRESSURE: 132200 -225.519 -129.345 4.6711 -129.346 26.8081 -147.606 4.67216 -147.605 -149.577 GPRESSURE: 132200 -193.68 -85.5433 75.6855 -117.185 33.0392 -130.571 -47.1646 -142.944 -76.7678 PRESSAVG: 132200 85.5761 -5.38048 -3.25298 -5.38041 -34.3849 -25.5837 -3.25305 -25.5837 10.2767 GPRESSAVG: 132200 85.2108 -4.10846 -1.56857 -5.09608 -34.5011 -24.888 -1.62454 -25.0995 10.912 TIMING: 132200 CPU: 390.858, 0.00296043/step Wall: 390.858, 0.00296043/step, 4.003 hours remaining, 203.304688 MB of memory in use. ENERGY: 132200 713.5930 2091.8927 1954.1458 112.4096 -206304.3721 17733.9414 0.0000 0.0000 34089.3567 -149609.0331 297.7108 -183698.3898 -149514.2369 298.6739 -116.0960 -79.1362 558976.0870 20.4893 20.5406 LDB: ============= START OF LOAD BALANCING ============== 394.286 LDB: ============== END OF LOAD BALANCING =============== 394.286 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 394.288 LDB: ============= START OF LOAD BALANCING ============== 394.585 LDB: Largest compute 4848 load 0.027346 is 23.2% of average load 0.117630 LDB: Average compute 0.001734 is 1.5% of average load 0.117630 LDB: TIME 394.587 LOAD: AVG 0.11763 MAX 0.196482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.875 MB LDB: TIME 394.587 LOAD: AVG 0.11763 MAX 0.196482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.078 MB LDB: TIME 394.587 LOAD: AVG 0.11763 MAX 0.196482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 394.589 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 394.593 PRESSURE: 132400 -3.2956 -75.0034 -72.5387 -75.0036 19.2867 126.057 -72.5385 126.058 213.872 GPRESSURE: 132400 -11.3401 6.23233 -59.2816 -120.179 119.142 24.6235 -47.4898 40.6803 219.225 PRESSAVG: 132400 -6.71696 -47.7127 -69.9802 -47.7126 -35.6501 -59.2363 -69.9801 -59.2362 29.2184 GPRESSAVG: 132400 -6.27264 -50.2743 -71.724 -47.2491 -34.7627 -61.4412 -71.7021 -58.2135 27.4932 TIMING: 132400 CPU: 391.463, 0.00302797/step Wall: 391.463, 0.00302797/step, 4.09416 hours remaining, 204.269531 MB of memory in use. ENERGY: 132400 769.1843 2097.6934 1972.6291 106.4756 -206437.3470 17964.7796 0.0000 0.0000 33997.5725 -149529.0126 296.9093 -183526.5850 -149430.3113 298.5986 76.6209 109.0091 557501.1375 -4.3829 -4.5141 PRESSURE: 132600 66.1849 31.4221 -109.497 31.4231 24.2981 82.3606 -109.497 82.3592 -102.542 GPRESSURE: 132600 1.60169 43.5149 -172.825 -5.01063 99.3302 61.8759 -59.789 62.916 -6.51088 PRESSAVG: 132600 -15.7464 -2.77302 -21.2419 -2.77303 41.8651 -26.3844 -21.242 -26.3844 -46.1175 GPRESSAVG: 132600 -17.3763 0.833608 -18.4213 -4.81461 41.1327 -25.4988 -21.3495 -26.5354 -44.2026 TIMING: 132600 CPU: 392.052, 0.00294349/step Wall: 392.052, 0.00294349/step, 3.97977 hours remaining, 204.460938 MB of memory in use. ENERGY: 132600 751.0591 2070.0476 1958.7882 112.5053 -206497.1980 17806.0455 0.0000 0.0000 34295.0155 -149503.7368 299.5069 -183798.7523 -149403.8350 299.4665 -4.0198 31.4737 557005.5020 -6.6663 -6.8154 PRESSURE: 132800 -14.8497 -25.4356 -175.161 -25.4345 -20.8231 -137.633 -175.161 -137.634 178.07 GPRESSURE: 132800 30.8522 -120.014 -148.942 -38.9989 31.636 -185.735 -107 -164.108 170.616 PRESSAVG: 132800 -11.52 -15.0505 -56.5006 -15.0505 53.212 49.5981 -56.5006 49.598 -2.22065 GPRESSAVG: 132800 -11.7284 -14.5245 -56.5542 -15.8391 54.8124 49.1965 -57.2443 49.663 -3.6748 TIMING: 132800 CPU: 392.643, 0.00295575/step Wall: 392.643, 0.00295575/step, 3.99617 hours remaining, 204.460938 MB of memory in use. ENERGY: 132800 802.8258 2086.0090 1999.5588 108.2338 -206692.9279 17898.3234 0.0000 0.0000 34262.3098 -149535.6673 299.2213 -183797.9772 -149440.3455 298.6778 47.4657 77.7012 555404.6727 13.1571 13.1364 PRESSURE: 133000 165.559 -22.2567 138.635 -22.2561 194.276 -39.11 138.635 -39.1103 283.725 GPRESSURE: 133000 251.327 -40.1446 150.693 49.5221 184.442 -50.3595 159.271 -82.1232 305.068 PRESSAVG: 133000 -7.28399 -42.5793 -45.6296 -42.5793 -44.9839 -5.51048 -45.6296 -5.51048 56.7135 GPRESSAVG: 133000 -5.65365 -42.534 -48.4375 -41.5172 -46.2557 -6.00735 -42.62 -6.41654 56.74 TIMING: 133000 CPU: 393.23, 0.0029317/step Wall: 393.23, 0.0029317/step, 3.9635 hours remaining, 204.460938 MB of memory in use. ENERGY: 133000 704.4581 2126.0770 1964.2114 111.3290 -206736.3061 18080.8203 0.0000 0.0000 34263.2744 -149486.1360 299.2297 -183749.4103 -149385.3130 299.0574 214.5201 246.9458 556841.7092 1.4819 1.6102 PRESSURE: 133200 -93.3345 -55.849 -43.2996 -55.8483 204.789 -109.192 -43.3002 -109.192 308.946 GPRESSURE: 133200 6.57661 -65.9945 -42.0867 -28.8839 218.507 -126.623 -31.0232 -111.038 300.262 PRESSAVG: 133200 -44.567 35.9648 -47.0034 35.9648 13.8194 17.1994 -47.0034 17.1995 28.1909 GPRESSAVG: 133200 -45.5641 33.794 -46.5143 35.3793 14.4767 18.5298 -48.0858 18.165 29.1405 TIMING: 133200 CPU: 393.821, 0.00295688/step Wall: 393.821, 0.00295688/step, 3.99737 hours remaining, 204.460938 MB of memory in use. ENERGY: 133200 738.1929 2146.5443 1971.1956 107.0178 -206950.1448 18248.2485 0.0000 0.0000 34332.4978 -149406.4479 299.8342 -183738.9457 -149307.1338 298.3542 140.1333 175.1155 556715.7292 -0.8522 -0.6490 PRESSURE: 133400 -152.492 -150.932 -19.4844 -150.933 -70.4712 125.708 -19.4845 125.708 -135.228 GPRESSURE: 133400 -123.541 -98.7267 -41.1238 -162.049 -48.5193 84.8864 54.591 158.542 -82.1421 PRESSAVG: 133400 -8.07242 -11.5942 -71.1769 -11.5943 -16.6555 1.53925 -71.1769 1.53934 54.0562 GPRESSAVG: 133400 -8.79998 -12.1484 -70.8719 -9.29897 -16.9202 -1.26092 -70.4017 3.41682 54.6813 TIMING: 133400 CPU: 394.414, 0.0029664/step Wall: 394.414, 0.0029664/step, 4.01008 hours remaining, 204.460938 MB of memory in use. ENERGY: 133400 743.8860 2123.9744 1953.1087 105.1770 -206285.4924 17586.7533 0.0000 0.0000 34241.2064 -149531.3866 299.0370 -183772.5931 -149438.8125 298.1649 -119.3969 -84.7342 557218.3608 9.7761 9.6537 PRESSURE: 133600 247.177 119.359 19.9313 119.358 -183.679 2.75048 19.9303 2.75063 -89.8776 GPRESSURE: 133600 289.748 120.611 102.928 87.5461 -161.605 46.8703 -10.7442 -2.04682 -65.3072 PRESSAVG: 133600 27.4393 -26.8302 -55.6574 -26.8302 -44.1302 47.034 -55.6574 47.0342 -24.9465 GPRESSAVG: 133600 28.6505 -24.6679 -54.7768 -29.5653 -44.8818 49.3778 -58.0428 44.5271 -25.6344 TIMING: 133600 CPU: 395.007, 0.0029654/step Wall: 395.007, 0.0029654/step, 4.00857 hours remaining, 204.460938 MB of memory in use. ENERGY: 133600 775.2575 2105.7469 1957.5598 107.1328 -206503.4007 17999.0874 0.0000 0.0000 34126.4162 -149432.2001 298.0345 -183558.6163 -149336.9586 298.6779 -8.7932 20.9452 558023.1739 -13.8791 -13.9552 PRESSURE: 133800 109.408 -93.0791 -76.4139 -93.0783 -138.091 73.8363 -76.4129 73.8371 180.722 GPRESSURE: 133800 135.695 -103.493 -11.3387 -81.1575 -98.9303 9.40995 -115.36 55.3804 213.577 PRESSAVG: 133800 47.3826 -48.0899 -40.2298 -48.09 -83.6545 -28.888 -40.2299 -28.888 30.141 GPRESSAVG: 133800 46.2361 -51.2602 -40.3822 -45.3477 -81.8584 -29.5761 -40.4167 -27.1985 29.7437 TIMING: 133800 CPU: 395.596, 0.00294235/step Wall: 395.596, 0.00294235/step, 3.97724 hours remaining, 204.460938 MB of memory in use. ENERGY: 133800 727.0099 2157.0342 1932.4475 117.0760 -206831.1780 18164.2748 0.0000 0.0000 34122.7795 -149610.5561 298.0027 -183733.3356 -149513.9138 297.8727 50.6795 83.4471 558053.9960 -2.0437 -1.9595 PRESSURE: 134000 45.831 96.022 16.1112 96.022 -144.116 -189.41 16.1113 -189.412 -158.337 GPRESSURE: 134000 148.216 107.976 -26.9574 86.9011 -195.452 -124.569 -6.65165 -113.385 -105.561 PRESSAVG: 134000 57.0894 7.35841 -64.1344 7.35825 -27.9263 -20.179 -64.1344 -20.1789 -52.1293 GPRESSAVG: 134000 57.9444 9.45834 -64.3683 6.28643 -30.2391 -18.9907 -61.2913 -20.2401 -51.016 TIMING: 134000 CPU: 396.186, 0.00295223/step Wall: 396.186, 0.00295223/step, 3.99044 hours remaining, 204.460938 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: 134000 730.3482 2109.8486 1964.1010 118.8955 -206115.5077 17604.6301 0.0000 0.0000 34171.4760 -149416.2084 298.4280 -183587.6843 -149319.7905 298.4636 -85.5408 -50.9322 557196.1760 -7.6554 -7.7702 PRESSURE: 134200 -130.095 -71.2934 -205.897 -71.2937 -415.12 -72.5672 -205.898 -72.5671 69.2539 GPRESSURE: 134200 -103.268 -54.5237 -236.397 -44.0922 -374.65 -128.34 -156.293 -45.7827 96.9213 PRESSAVG: 134200 21.8002 6.36911 -32.6391 6.36907 -29.3596 11.4844 -32.6391 11.4844 13.1473 GPRESSAVG: 134200 20.9408 5.9461 -32.7606 7.79802 -27.3263 9.93788 -36.4679 10.7037 12.5464 TIMING: 134200 CPU: 396.779, 0.0029639/step Wall: 396.779, 0.0029639/step, 4.00604 hours remaining, 204.460938 MB of memory in use. ENERGY: 134200 778.8878 2098.8380 1963.4055 117.6588 -205972.8742 17668.5107 0.0000 0.0000 34076.5746 -149268.9989 297.5992 -183345.5734 -149179.9243 298.8873 -158.6535 -126.9989 557133.0395 1.8627 2.0537 PRESSURE: 134400 -172.899 -71.6365 80.5363 -71.6376 171.444 -75.8005 80.5363 -75.8019 181.574 GPRESSURE: 134400 -161.239 -72.4279 106.379 -63.5457 215.888 -81.1462 43.2891 -22.9036 214.168 PRESSAVG: 134400 5.26357 -19.5886 -7.92914 -19.5886 45.4121 -3.76442 -7.92921 -3.76439 -53.0559 GPRESSAVG: 134400 6.91726 -18.0759 -7.46952 -20.4876 43.7158 -4.85518 -6.82245 -1.61262 -52.691 TIMING: 134400 CPU: 397.37, 0.00295664/step Wall: 397.37, 0.00295664/step, 3.99607 hours remaining, 204.460938 MB of memory in use. ENERGY: 134400 748.7524 2065.2420 1942.0202 118.1562 -206476.1532 17930.1319 0.0000 0.0000 34253.1544 -149418.6962 299.1413 -183671.8506 -149323.6035 299.3463 60.0396 89.6058 557155.3243 -0.7934 -0.6860 PRESSURE: 134600 44.809 43.0031 156.174 43.0033 66.2207 -47.9569 156.173 -47.9572 -224.645 GPRESSURE: 134600 26.4541 2.39655 98.9162 52.8667 90.5979 -58.6393 129.323 -72.69 -130.7 PRESSAVG: 134600 27.8444 47.6945 16.243 47.6944 -19.4899 -54.5264 16.243 -54.5265 -76.5536 GPRESSAVG: 134600 26.9396 46.9897 14.5989 45.9752 -17.4181 -52.0312 18.1708 -57.2362 -77.4077 TIMING: 134600 CPU: 397.961, 0.00295406/step Wall: 397.961, 0.00295406/step, 3.99241 hours remaining, 204.460938 MB of memory in use. ENERGY: 134600 736.4958 2174.1837 1938.4381 107.3072 -206584.9074 17913.9985 0.0000 0.0000 34362.0996 -149352.3846 300.0928 -183714.4842 -149259.8241 298.7395 -37.8717 -4.5492 556844.8270 -22.7330 -22.6287 PRESSURE: 134800 157.025 -25.2481 92.9567 -25.2486 110.7 46.5253 92.9573 46.5256 22.0687 GPRESSURE: 134800 184.359 -21.315 45.6904 -63.0133 130.814 1.50248 79.594 -37.8544 71.4769 PRESSAVG: 134800 38.713 -17.6131 -19.3712 -17.6131 23.859 7.84473 -19.3712 7.8447 -62.56 GPRESSAVG: 134800 38.5414 -17.128 -19.2413 -15.9875 24.087 7.32675 -19.5409 7.74327 -62.741 TIMING: 134800 CPU: 398.555, 0.00296677/step Wall: 398.555, 0.00296677/step, 4.00943 hours remaining, 204.460938 MB of memory in use. ENERGY: 134800 739.1845 2090.0135 1936.8679 112.6525 -206161.7582 17902.5027 0.0000 0.0000 34059.4921 -149321.0450 297.4500 -183380.5371 -149231.7917 298.4231 96.5978 128.8832 556878.8446 0.0040 -0.0375 PRESSURE: 135000 -23.3947 96.032 -146.176 96.0307 -267.117 138.152 -146.175 138.152 -35.7136 GPRESSURE: 135000 -39.5068 138.747 -151.972 75.7792 -201.645 82.6609 -134.137 145.93 12.9354 PRESSAVG: 135000 32.808 -107.951 35.0024 -107.951 -26.301 53.2582 35.0025 53.2584 -0.658719 GPRESSAVG: 135000 33.8779 -109.63 35.439 -110.644 -26.9754 52.9153 34.2714 53.7988 -0.217611 TIMING: 135000 CPU: 399.144, 0.00294883/step Wall: 399.144, 0.00294883/step, 3.98501 hours remaining, 204.460938 MB of memory in use. ENERGY: 135000 703.1219 2095.0702 1916.4244 112.0672 -205944.3180 17583.5505 0.0000 0.0000 34182.3781 -149351.7056 298.5232 -183534.0837 -149255.0341 298.9802 -108.7418 -76.0720 557746.5395 1.9494 2.2283 PRESSURE: 135200 -40.5143 -29.8059 -112.428 -29.806 -264.781 -10.5062 -112.428 -10.5064 -141.562 GPRESSURE: 135200 28.8103 -52.9545 -67.2392 -20.9613 -277.727 0.598849 -127.611 -16.7666 -101.257 PRESSAVG: 135200 -25.42 -54.764 -0.694168 -54.7641 -53.8296 34.3768 -0.694243 34.3768 11.8818 GPRESSAVG: 135200 -26.0642 -53.7238 -0.633944 -53.9104 -53.157 34.1724 -1.26784 36.2352 11.5405 TIMING: 135200 CPU: 399.731, 0.0029319/step Wall: 399.731, 0.0029319/step, 3.96197 hours remaining, 204.460938 MB of memory in use. ENERGY: 135200 730.3089 2062.1781 1939.1591 111.6281 -205978.2634 17450.3526 0.0000 0.0000 34338.1801 -149346.4564 299.8839 -183684.6365 -149255.4210 299.1773 -148.9524 -116.7245 556377.2090 -22.4559 -22.5602 PRESSURE: 135400 -38.3934 -206.632 -40.1458 -206.63 196.518 -72.1609 -40.1454 -72.1598 -7.50085 GPRESSURE: 135400 23.0743 -190.861 -14.066 -164.33 217.589 -81.2178 -18.3492 -69.6529 2.35083 PRESSAVG: 135400 46.716 -4.8858 29.4385 -4.8858 35.542 26.586 29.4385 26.586 -19.0566 GPRESSAVG: 135400 47.0906 -6.0018 29.4134 -3.2096 35.1447 29.696 29.978 24.6073 -19.2025 TIMING: 135400 CPU: 400.321, 0.00295034/step Wall: 400.321, 0.00295034/step, 3.98673 hours remaining, 204.460938 MB of memory in use. ENERGY: 135400 757.1095 2098.9182 1933.1049 120.8742 -206231.8912 17754.5248 0.0000 0.0000 34271.1359 -149296.2236 299.2984 -183567.3595 -149205.5991 299.2545 50.2080 81.0047 555571.8715 21.0671 21.0109 PRESSURE: 135600 94.6828 38.0042 -18.9219 38.0065 -246.898 -86.3578 -18.9217 -86.3591 -262.172 GPRESSURE: 135600 33.4781 17.0188 -0.904878 17.9474 -231.062 -97.2323 -118.75 -73.2616 -126.808 PRESSAVG: 135600 8.95891 28.8486 -15.7385 28.8485 -5.78353 -11.6437 -15.7385 -11.6436 -9.18321 GPRESSAVG: 135600 8.31867 26.9635 -15.848 30.2947 -6.1646 -14.476 -17.0734 -10.6943 -8.12682 TIMING: 135600 CPU: 400.909, 0.00294109/step Wall: 400.909, 0.00294109/step, 3.97407 hours remaining, 204.460938 MB of memory in use. ENERGY: 135600 742.0618 2102.4916 1951.8847 109.1381 -205950.5724 17465.0781 0.0000 0.0000 34388.3760 -149191.5422 300.3222 -183579.9182 -149100.1475 300.1017 -138.1290 -108.1306 557299.6061 -2.0026 -1.9909 PRESSURE: 135800 -69.8324 83.2418 -151.774 83.2422 64.249 48.7733 -151.773 48.7736 -53.8237 GPRESSURE: 135800 -13.929 97.7122 -35.2712 30.1462 124.656 77.6106 -184.535 8.0867 -71.6275 PRESSAVG: 135800 78.4793 -5.66494 -43.6373 -5.66495 27.7953 -31.8212 -43.6373 -31.8211 -92.6615 GPRESSAVG: 135800 79.2622 -3.81542 -42.7256 -10.2203 28.6625 -31.8373 -42.2063 -31.4491 -94.2687 TIMING: 135800 CPU: 401.501, 0.00296162/step Wall: 401.501, 0.00296162/step, 4.00164 hours remaining, 204.460938 MB of memory in use. ENERGY: 135800 757.2305 2100.5835 1933.2142 115.0111 -206330.0835 17954.3458 0.0000 0.0000 34370.0063 -149099.6922 300.1618 -183469.6985 -149009.1803 299.6409 -19.8024 13.0332 558137.9708 4.5377 4.5520 PRESSURE: 136000 -68.4036 23.2519 29.5066 23.2514 -172.566 -64.2022 29.5066 -64.203 -142.7 GPRESSURE: 136000 -77.4683 8.17549 77.1679 23.3041 -152.274 62.3959 0.483258 -187.88 -54.6964 PRESSAVG: 136000 19.7217 21.1722 -30.3066 21.1722 42.7709 -8.09121 -30.3067 -8.0912 -49.6054 GPRESSAVG: 136000 18.973 21.8348 -33.4348 24.2444 43.0921 -7.78901 -28.4339 -9.5637 -48.3366 TIMING: 136000 CPU: 402.094, 0.00296604/step Wall: 402.094, 0.00296604/step, 4.00745 hours remaining, 204.460938 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: 136000 754.9738 2127.4406 1937.8355 112.8693 -205633.0008 17472.9328 0.0000 0.0000 34374.0531 -148852.8957 300.1972 -183226.9488 -148751.9840 299.8441 -127.8899 -94.8128 558135.9225 4.2957 4.5761 PRESSURE: 136200 25.9968 23.9879 -116.043 23.9884 71.6692 -40.276 -116.043 -40.2761 23.0278 GPRESSURE: 136200 76.2638 10.8812 -156.839 -34.0272 58.2244 -80.7048 -56.9067 -96.4068 83.9919 PRESSAVG: 136200 21.4134 44.6648 37.9076 44.6648 20.3221 -25.7155 37.9076 -25.7155 -20.6244 GPRESSAVG: 136200 21.6575 45.0363 40.0098 44.0997 20.9927 -24.4019 34.4161 -26.6042 -21.0122 TIMING: 136200 CPU: 402.685, 0.00295288/step Wall: 402.685, 0.00295288/step, 3.98951 hours remaining, 204.460938 MB of memory in use. ENERGY: 136200 764.7930 2106.1885 1951.6247 113.6122 -206346.8724 17919.9352 0.0000 0.0000 34511.6124 -148979.1064 301.3985 -183490.7188 -148883.2245 300.3348 40.2313 72.8267 558327.0986 7.0370 7.2127 LDB: ============= START OF LOAD BALANCING ============== 406.108 LDB: ============== END OF LOAD BALANCING =============== 406.109 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 406.11 LDB: ============= START OF LOAD BALANCING ============== 406.405 LDB: Largest compute 4820 load 0.026812 is 22.8% of average load 0.117718 LDB: Average compute 0.001737 is 1.5% of average load 0.117718 LDB: TIME 406.408 LOAD: AVG 0.117718 MAX 0.19549 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.754 MB LDB: TIME 406.408 LOAD: AVG 0.117718 MAX 0.19549 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.957 MB LDB: TIME 406.408 LOAD: AVG 0.117718 MAX 0.19549 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.957 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 406.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 406.414 PRESSURE: 136400 13.1846 25.0031 13.2193 25.0033 37.604 101.725 13.2194 101.725 107.713 GPRESSURE: 136400 28.2686 -27.0728 -28.0869 30.6004 94.7795 78.6421 14.4757 173.136 129.656 PRESSAVG: 136400 -43.028 -15.7043 2.27844 -15.7044 71.1566 -24.7039 2.27838 -24.7038 -2.89165 GPRESSAVG: 136400 -41.2 -16.6887 3.08279 -16.5869 70.2061 -26.444 2.8346 -22.3087 -3.44999 TIMING: 136400 CPU: 403.285, 0.00299802/step Wall: 403.285, 0.00299802/step, 4.05033 hours remaining, 203.750000 MB of memory in use. ENERGY: 136400 757.4995 2121.5916 1980.3652 111.6374 -205806.7967 17913.9334 0.0000 0.0000 34286.5586 -148635.2110 299.4330 -182921.7696 -148533.7769 300.7059 52.8339 84.2348 558730.8334 8.4123 8.5187 PRESSURE: 136600 -235.68 -27.5855 -82.3033 -27.5851 55.9507 13.0501 -82.3034 13.0501 -28.8671 GPRESSURE: 136600 -238.855 -73.3558 -92.3322 2.57589 103.721 14.5045 -61.8732 22.6055 17.3863 PRESSAVG: 136600 -31.936 37.5888 -19.7933 37.5888 -3.42275 -37.8712 -19.7933 -37.8711 28.8522 GPRESSAVG: 136600 -33.8201 37.6955 -19.6738 38.4281 -2.06852 -35.3311 -19.2892 -36.5898 29.4766 TIMING: 136600 CPU: 403.875, 0.00295222/step Wall: 403.875, 0.00295222/step, 3.98828 hours remaining, 203.750000 MB of memory in use. ENERGY: 136600 732.1806 2113.8416 1966.8607 115.1657 -205516.8160 17502.9079 0.0000 0.0000 34403.8526 -148682.0068 300.4574 -183085.8594 -148588.1344 300.8090 -69.5321 -39.2491 558030.9415 -2.1689 -2.1373 PRESSURE: 136800 -159.744 0.953579 117.835 0.953995 77.3426 103.777 117.834 103.779 -223.375 GPRESSURE: 136800 -76.1294 -52.3486 119.683 30.3079 103.248 165.59 112.824 76.0823 -224.772 PRESSAVG: 136800 -85.5945 -59.3497 31.2187 -59.3498 47.6663 31.2724 31.2186 31.2724 30.5357 GPRESSAVG: 136800 -85.4469 -58.2997 29.9257 -60.2294 47.8837 28.9207 31.6014 30.8022 30.0182 TIMING: 136800 CPU: 404.462, 0.00293335/step Wall: 404.462, 0.00293335/step, 3.96264 hours remaining, 203.750000 MB of memory in use. ENERGY: 136800 770.7372 2109.7456 1975.2705 106.3919 -205465.1689 17494.8608 0.0000 0.0000 34217.8489 -148790.3140 298.8330 -183008.1629 -148695.1952 300.4286 -101.9253 -65.8842 558757.3640 -2.4642 -2.5150 PRESSURE: 137000 -45.5039 -107.119 122.819 -107.118 -158.514 46.5533 122.818 46.5524 -107.611 GPRESSURE: 137000 -4.99563 -51.1382 106.761 -131.142 -122.144 33.1187 93.3649 67.5859 -98.5162 PRESSAVG: 137000 30.8717 -30.6184 4.63239 -30.6184 -20.7154 -5.54015 4.63233 -5.54001 -6.02756 GPRESSAVG: 137000 32.2727 -31.8512 3.84256 -29.9234 -22.3723 -5.7254 6.37993 -7.01208 -6.05329 TIMING: 137000 CPU: 405.054, 0.00295954/step Wall: 405.054, 0.00295954/step, 3.99784 hours remaining, 203.750000 MB of memory in use. ENERGY: 137000 776.1780 2096.9917 1955.6596 112.2531 -205514.2973 17443.6666 0.0000 0.0000 34347.5038 -148782.0445 299.9653 -183129.5484 -148685.6251 300.2981 -103.8761 -75.2186 558300.1884 1.3762 1.2824 PRESSURE: 137200 4.26607 -76.5198 -42.5572 -76.5209 -253.777 -77.2929 -42.5569 -77.2929 -277.379 GPRESSURE: 137200 32.7774 -80.6452 -64.7382 -51.4611 -239.361 -149.172 -90.2585 -147.417 -224.054 PRESSAVG: 137200 -29.8188 -17.782 10.6209 -17.7821 50.3775 -3.24931 10.621 -3.24923 -40.3363 GPRESSAVG: 137200 -30.4046 -17.2484 12.0176 -19.2819 51.069 -3.88788 9.13284 -2.17998 -40.4754 TIMING: 137200 CPU: 405.646, 0.00296372/step Wall: 405.646, 0.00296372/step, 4.00332 hours remaining, 203.750000 MB of memory in use. ENERGY: 137200 778.0972 2049.4060 1943.9343 123.8933 -205340.5305 17379.4920 0.0000 0.0000 34241.4552 -148824.2526 299.0391 -183065.7078 -148726.3882 300.2903 -175.6298 -143.5460 558339.2732 -6.5925 -6.6037 PRESSURE: 137400 6.35555 56.4142 -38.0572 56.4136 -56.5814 -195.5 -38.0572 -195.501 -268.919 GPRESSURE: 137400 52.5065 29.5418 10.1032 163.148 -27.5549 -95.3874 -54.9469 -179.62 -241.457 PRESSAVG: 137400 51.333 -24.3181 31.2822 -24.3182 -6.71567 -21.7453 31.2821 -21.7453 -62.1157 GPRESSAVG: 137400 50.9568 -23.8502 29.247 -22.1875 -7.98107 -19.6442 31.4045 -21.0495 -60.7974 TIMING: 137400 CPU: 406.241, 0.00297321/step Wall: 406.241, 0.00297321/step, 4.01598 hours remaining, 203.750000 MB of memory in use. ENERGY: 137400 710.5553 2130.0903 1972.9051 103.1528 -205400.9469 17359.5277 0.0000 0.0000 34130.9146 -148993.8012 298.0738 -183124.7158 -148891.4055 299.3021 -106.3815 -72.1684 559198.8987 -5.8328 -5.9406 PRESSURE: 137600 -129.776 -177.007 -112.417 -177.008 -16.3192 -76.5229 -112.417 -76.5226 -340.797 GPRESSURE: 137600 -62.3838 -194.584 -55.2199 -178.505 4.63676 -79.0651 -165.322 -102.649 -346.023 PRESSAVG: 137600 -1.78689 -58.3042 20.7308 -58.3042 44.5473 -38.0375 20.7308 -38.0376 -54.5622 GPRESSAVG: 137600 -1.1699 -58.7942 21.9662 -58.7152 44.3849 -39.7587 20.6 -38.5205 -55.8549 TIMING: 137600 CPU: 406.833, 0.00295737/step Wall: 406.833, 0.00295737/step, 3.99442 hours remaining, 203.750000 MB of memory in use. ENERGY: 137600 753.9582 2112.6279 1957.5194 127.5829 -205595.2365 17457.6391 0.0000 0.0000 34244.8519 -148941.0571 299.0688 -183185.9090 -148837.5679 299.5028 -162.2972 -134.5899 558737.8777 -3.9339 -4.2133 PRESSURE: 137800 260.228 116.887 112.941 116.885 -170.567 -49.7572 112.94 -49.7571 66.872 GPRESSURE: 137800 279.997 64.4982 73.357 133.562 -158.523 -93.7563 93.4548 12.0724 121.569 PRESSAVG: 137800 42.5197 -5.15221 -37.8897 -5.15225 5.08927 -24.6407 -37.8897 -24.6406 -25.647 GPRESSAVG: 137800 42.1421 -5.85679 -37.4911 -4.93231 4.29867 -24.8195 -39.2526 -23.596 -24.3876 TIMING: 137800 CPU: 407.426, 0.00296604/step Wall: 407.426, 0.00296604/step, 4.00596 hours remaining, 203.750000 MB of memory in use. ENERGY: 137800 758.8830 2144.6163 1963.2857 115.2164 -206158.7736 17952.5792 0.0000 0.0000 34498.0241 -148726.1689 301.2798 -183224.1930 -148633.8957 299.9007 52.1778 81.0141 558232.8678 7.3207 7.3511 PRESSURE: 138000 163.111 1.00689 -66.2682 1.00634 -153.84 17.7283 -66.2673 17.7278 -125.864 GPRESSURE: 138000 194.782 10.3218 -38.8283 19.7586 -163.51 74.952 -99.2711 102.512 -58.7745 PRESSAVG: 138000 59.5966 -40.1328 42.3023 -40.1328 -38.5188 -12.9915 42.3022 -12.9915 -10.9954 GPRESSAVG: 138000 60.2399 -40.6452 40.6405 -40.6215 -37.8834 -11.7842 42.6831 -14.826 -12.4473 TIMING: 138000 CPU: 408.016, 0.00294988/step Wall: 408.016, 0.00294988/step, 3.98398 hours remaining, 203.750000 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: 138000 722.9311 2142.4891 1920.5978 114.6906 -205978.0375 17882.1452 0.0000 0.0000 34473.9512 -148721.2325 301.0696 -183195.1837 -148630.1540 300.9247 -38.8642 -9.1676 559951.6064 3.3608 3.3031 PRESSURE: 138200 -93.8522 -118.061 -74.3496 -118.06 231.814 -187.686 -74.3496 -187.685 88.9395 GPRESSURE: 138200 -23.4507 -77.1988 -120.951 -39.4274 263.148 -162.055 -38.1555 -194.059 78.0661 PRESSAVG: 138200 40.1642 -10.9808 6.33238 -10.9808 -19.2823 -6.61043 6.33236 -6.61041 -9.84215 GPRESSAVG: 138200 39.7435 -9.41814 5.86469 -10.6867 -19.5909 -7.01598 6.54735 -6.7823 -9.48177 TIMING: 138200 CPU: 408.606, 0.0029517/step Wall: 408.606, 0.0029517/step, 3.98627 hours remaining, 203.750000 MB of memory in use. ENERGY: 138200 745.1875 2097.6983 1958.9397 122.8651 -206177.3785 17909.6891 0.0000 0.0000 34538.2237 -148804.7750 301.6309 -183342.9988 -148704.2124 301.1607 75.6339 105.9211 557499.2905 3.6799 3.5569 PRESSURE: 138400 -106.312 9.20188 72.2664 9.20218 -222.44 -34.126 72.2659 -34.1275 -280.128 GPRESSURE: 138400 -84.8764 66.1213 126.779 2.2976 -148.982 -61.9268 103.806 24.307 -270.491 PRESSAVG: 138400 28.3826 17.8095 -4.80063 17.8095 62.3359 -19.8959 -4.80075 -19.8958 -57.8426 GPRESSAVG: 138400 29.3367 19.0119 -3.00728 18.1517 61.8237 -18.9263 -4.80554 -18.5659 -57.507 TIMING: 138400 CPU: 409.195, 0.00294697/step Wall: 409.195, 0.00294697/step, 3.97972 hours remaining, 203.750000 MB of memory in use. ENERGY: 138400 785.0411 2079.3365 1973.8668 115.8193 -205801.3102 17624.2419 0.0000 0.0000 34489.7255 -148733.2790 301.2074 -183223.0045 -148636.8759 300.8499 -202.9597 -168.1165 558168.7588 10.9587 11.2178 PRESSURE: 138600 -87.4591 105.853 52.6242 105.852 10.1727 -136.973 52.6237 -136.974 -385.169 GPRESSURE: 138600 -103.227 4.85637 42.3603 43.9232 3.52801 -213.529 35.9203 -46.9057 -265.789 PRESSAVG: 138600 41.6551 59.4117 7.84072 59.4118 -9.27216 -12.6974 7.84076 -12.6974 -76.4257 GPRESSAVG: 138600 40.3453 59.5429 7.90943 56.6175 -7.93933 -13.4097 8.22145 -12.278 -76.1277 TIMING: 138600 CPU: 409.787, 0.00295931/step Wall: 409.787, 0.00295931/step, 3.99622 hours remaining, 203.750000 MB of memory in use. ENERGY: 138600 729.5988 2106.0362 1967.5814 114.0667 -205449.0150 17453.7092 0.0000 0.0000 34362.1743 -148715.8484 300.0934 -183078.0227 -148615.4661 299.9790 -154.1519 -121.8292 559835.3349 -14.6809 -14.5739 PRESSURE: 138800 -60.998 69.147 125.089 69.148 113.477 -27.9843 125.09 -27.9824 110.346 GPRESSURE: 138800 73.5835 71.8999 26.0934 100.99 66.6083 30.2027 183.721 -98.6112 115.842 PRESSAVG: 138800 14.0141 1.09349 -17.5926 1.09344 8.78429 -63.0851 -17.5927 -63.0851 -31.0827 GPRESSAVG: 138800 15.8119 -0.104565 -17.2375 2.64078 7.2179 -62.5356 -16.4266 -63.2963 -31.5787 TIMING: 138800 CPU: 410.378, 0.00295447/step Wall: 410.378, 0.00295447/step, 3.98952 hours remaining, 203.750000 MB of memory in use. ENERGY: 138800 720.4859 2122.5879 1925.7912 122.7520 -205697.0604 17635.7995 0.0000 0.0000 34426.9791 -148742.6649 300.6594 -183169.6440 -148647.3969 300.6345 54.2749 85.3445 558631.6792 -2.7614 -2.8496 PRESSURE: 139000 96.7509 127.835 61.3233 127.835 125.596 142.737 61.324 142.735 -179.165 GPRESSURE: 139000 104.592 183.73 107.482 202.775 178.914 80.5494 -67.6619 182.647 -143.986 PRESSAVG: 139000 55.7268 15.1552 -10.9422 15.1554 43.2398 -2.75436 -10.9421 -2.7543 -109.35 GPRESSAVG: 139000 53.6253 15.4415 -11.7263 15.7295 45.1452 -6.85954 -14.1365 -1.6701 -109.857 TIMING: 139000 CPU: 410.968, 0.00294696/step Wall: 410.968, 0.00294696/step, 3.97921 hours remaining, 203.750000 MB of memory in use. ENERGY: 139000 732.1758 2085.4364 1956.0937 121.1771 -205895.1458 17780.1019 0.0000 0.0000 34459.3887 -148760.7721 300.9424 -183220.1608 -148670.2567 299.9422 14.3937 46.5068 559015.3075 -3.4611 -3.6956 PRESSURE: 139200 -52.2292 58.5517 -8.54001 58.5515 -202.439 -36.4798 -8.53971 -36.4798 -53.1285 GPRESSURE: 139200 -22.0408 -16.7239 -68.6981 98.3147 -155.432 -56.6357 -84.7965 -85.1458 -29.6176 PRESSAVG: 139200 -32.5674 -27.7116 -35.914 -27.7117 -6.27342 -46.2207 -35.9141 -46.2207 57.262 GPRESSAVG: 139200 -32.4426 -28.0897 -35.1803 -27.0907 -6.46475 -44.4554 -34.7901 -46.362 56.9854 TIMING: 139200 CPU: 411.557, 0.00294523/step Wall: 411.557, 0.00294523/step, 3.97672 hours remaining, 203.750000 MB of memory in use. ENERGY: 139200 742.2089 2053.8819 1965.5345 104.1611 -205384.0950 17473.8199 0.0000 0.0000 34385.6904 -148658.7983 300.2988 -183044.4887 -148569.3559 300.0430 -102.5990 -69.0301 559157.1046 6.1404 6.0260 PRESSURE: 139400 -215.573 141.392 -101.575 141.393 -103.957 7.13579 -101.574 7.13517 -49.3085 GPRESSURE: 139400 -213.126 226.93 -93.5387 99.6286 -8.3372 50.877 -107.352 -23.1172 -52.2429 PRESSAVG: 139400 -10.2509 -24.4994 6.91382 -24.4995 -11.7862 -29.4517 6.91384 -29.4517 -3.56819 GPRESSAVG: 139400 -11.0403 -23.6966 6.86123 -25.0485 -11.2676 -27.6281 5.55863 -31.8836 -3.24922 TIMING: 139400 CPU: 412.148, 0.00295831/step Wall: 412.148, 0.00295831/step, 3.99421 hours remaining, 203.750000 MB of memory in use. ENERGY: 139400 745.6948 2087.0214 1979.8849 112.7583 -205535.3840 17543.8208 0.0000 0.0000 34352.3212 -148713.8827 300.0074 -183066.2039 -148623.8999 300.7376 -122.9462 -91.2353 559976.8253 -8.5351 -8.5190 PRESSURE: 139600 130.674 -105.891 57.6245 -105.892 -14.3191 -233.537 57.6241 -233.539 -63.16 GPRESSURE: 139600 148.104 -24.9933 51.6303 -139.675 57.2874 -135.302 75.9806 -180.705 -57.3362 PRESSAVG: 139600 -24.7781 -55.5375 9.93326 -55.5376 -20.2022 2.09213 9.93329 2.0921 40.6609 GPRESSAVG: 139600 -24.3164 -56.3875 9.37152 -56.9805 -20.772 0.727358 9.92969 3.244 40.1918 TIMING: 139600 CPU: 412.739, 0.00295326/step Wall: 412.739, 0.00295326/step, 3.98723 hours remaining, 203.750000 MB of memory in use. ENERGY: 139600 732.4207 2066.7733 1966.6656 126.0022 -205931.6590 17927.2564 0.0000 0.0000 34341.8501 -148770.6907 299.9159 -183112.5408 -148669.1641 300.8084 17.7318 49.3519 559424.8729 -1.4398 -1.6322 PRESSURE: 139800 -84.2632 6.62936 149.433 6.62927 -3.83189 -112.857 149.434 -112.859 -177.55 GPRESSURE: 139800 -78.7779 46.1054 145.706 52.5399 37.4732 -135.849 221.764 -85.5529 -129.068 PRESSAVG: 139800 36.581 -12.1454 35.347 -12.1453 -24.7088 21.9358 35.347 21.9359 24.0245 GPRESSAVG: 139800 37.0803 -11.9504 33.5733 -11.2625 -25.5696 22.1846 37.1505 21.6189 24.4479 TIMING: 139800 CPU: 413.331, 0.00296127/step Wall: 413.331, 0.00296127/step, 3.99788 hours remaining, 203.750000 MB of memory in use. ENERGY: 139800 751.8012 2018.1250 1989.7641 106.7189 -205857.9922 17834.4460 0.0000 0.0000 34311.9784 -148845.1586 299.6550 -183157.1370 -148747.9827 299.9124 -88.5484 -56.7910 560666.6857 11.9656 11.9862 PRESSURE: 140000 9.90091 44.587 -1.31483 44.5866 63.8312 -39.9503 -1.31437 -39.9493 -119.974 GPRESSURE: 140000 13.3554 71.4015 -124.644 47.5545 130.091 -73.9376 44.6191 -70.368 -94.3049 PRESSAVG: 140000 34.3283 -4.98384 27.2346 -4.98372 -12.5725 -20.7225 27.2345 -20.7225 -7.02456 GPRESSAVG: 140000 33.4847 -4.34077 28.8283 -5.11226 -11.8887 -20.729 24.7355 -19.5617 -6.74271 TIMING: 140000 CPU: 413.922, 0.00295629/step Wall: 413.922, 0.00295629/step, 3.99099 hours remaining, 203.750000 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: 140000 737.9502 2088.7623 1949.0694 115.5441 -205909.8734 17862.8654 0.0000 0.0000 34398.4173 -148757.2647 300.4099 -183155.6820 -148662.0399 299.6885 -15.4140 16.3807 559970.8148 4.9104 4.9511 PRESSURE: 140200 232.21 8.6005 64.0655 8.60156 239.59 79.0911 64.0648 79.0911 4.11686 GPRESSURE: 140200 282.13 57.8775 -11.1588 -1.63771 300.922 119.051 161.417 133.609 -10.8105 PRESSAVG: 140200 -0.443418 0.704994 -55.5169 0.705016 54.3591 6.54174 -55.517 6.54175 -46.5335 GPRESSAVG: 140200 0.0740791 2.14202 -57.8799 -0.884343 54.5284 7.31015 -53.6343 5.46297 -47.1488 TIMING: 140200 CPU: 414.509, 0.00293401/step Wall: 414.509, 0.00293401/step, 3.96075 hours remaining, 203.750000 MB of memory in use. ENERGY: 140200 741.2533 2039.2853 1944.4239 102.8646 -205915.1595 17886.8252 0.0000 0.0000 34334.0039 -148866.5034 299.8474 -183200.5073 -148774.2897 300.2783 158.6387 190.7472 558174.5176 2.4607 2.4845 LDB: ============= START OF LOAD BALANCING ============== 417.933 LDB: ============== END OF LOAD BALANCING =============== 417.933 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 417.934 LDB: ============= START OF LOAD BALANCING ============== 418.229 LDB: Largest compute 4848 load 0.028437 is 24.2% of average load 0.117711 LDB: Average compute 0.001735 is 1.5% of average load 0.117711 LDB: TIME 418.231 LOAD: AVG 0.117711 MAX 0.197603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.398 MB LDB: TIME 418.231 LOAD: AVG 0.117711 MAX 0.197603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.398 MB LDB: TIME 418.232 LOAD: AVG 0.117711 MAX 0.197603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 418.233 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 418.238 PRESSURE: 140400 15.523 11.2055 72.7856 11.204 179.36 105.183 72.7877 105.184 397.288 GPRESSURE: 140400 101.715 -13.5967 62.4147 54.4884 184.548 58.6693 126.719 112.65 394.626 PRESSAVG: 140400 28.4459 -7.81741 30.335 -7.81742 -31.5792 -25.0385 30.3351 -25.0385 -29.7344 GPRESSAVG: 140400 29.6882 -8.37353 32.6367 -5.81657 -32.9803 -24.902 30.1162 -25.5353 -29.7953 TIMING: 140400 CPU: 415.108, 0.00299324/step Wall: 415.108, 0.00299324/step, 4.04054 hours remaining, 203.738281 MB of memory in use. ENERGY: 140400 761.2138 2076.6485 1948.3001 121.1764 -205870.5748 17843.7178 0.0000 0.0000 34294.2659 -148825.2523 299.5004 -183119.5182 -148735.9810 299.4874 197.3903 226.9629 557660.9090 -10.9559 -11.0291 PRESSURE: 140600 -124.956 202.927 125.817 202.925 158.029 -24.0198 125.815 -24.0194 -23.4056 GPRESSURE: 140600 -85.7213 201.796 135.109 202.115 177.247 -51.0879 73.3919 -71.5653 5.24114 PRESSAVG: 140600 -33.5038 -27.2262 71.971 -27.2262 -39.0275 -1.16411 71.971 -1.16411 54.1007 GPRESSAVG: 140600 -34.3521 -28.0202 72.5301 -28.241 -37.4361 -2.32695 71.1006 -0.218319 53.6446 TIMING: 140600 CPU: 415.702, 0.00297127/step Wall: 415.702, 0.00297127/step, 4.01072 hours remaining, 203.941406 MB of memory in use. ENERGY: 140600 720.1332 2078.9773 1945.5137 109.4759 -206024.9133 17877.7474 0.0000 0.0000 34361.7583 -148931.3076 300.0898 -183293.0659 -148834.4839 299.8250 3.2222 32.2555 558798.3082 -6.1435 -6.0479 PRESSURE: 140800 -219.915 -32.1894 22.466 -32.1892 153.832 2.58928 22.4672 2.59001 -83.1891 GPRESSURE: 140800 -142.141 -41.3899 30.3997 -2.15551 117.282 -11.4762 26.265 30.9323 -16.7573 PRESSAVG: 140800 -55.952 92.5959 70.0134 92.5959 25.9109 -28.7022 70.0135 -28.7021 -10.8349 GPRESSAVG: 140800 -56.437 92.0736 71.25 91.9438 25.5303 -28.3288 71.4109 -29.7228 -9.70172 TIMING: 140800 CPU: 416.292, 0.00294721/step Wall: 416.292, 0.00294721/step, 3.97807 hours remaining, 203.941406 MB of memory in use. ENERGY: 140800 760.7116 2013.5088 1987.2883 108.5309 -205725.2480 17771.4080 0.0000 0.0000 34248.9345 -148834.8659 299.1045 -183083.8004 -148743.3670 299.3360 -49.7572 -13.8721 558808.8897 -13.6253 -13.5361 PRESSURE: 141000 113.364 164.484 -94.1619 164.483 -107.847 -55.2554 -94.1609 -55.2561 -98.5498 GPRESSURE: 141000 127.702 204.627 -139.534 190.206 -74.0819 -52.893 -78.2231 -99.3034 -52.3177 PRESSAVG: 141000 -17.6504 57.9099 3.17939 57.9099 46.4313 23.2895 3.17944 23.2895 -87.5336 GPRESSAVG: 141000 -18.0169 59.0992 2.32574 59.4093 46.2368 25.5431 3.20985 22.4487 -87.1095 TIMING: 141000 CPU: 416.882, 0.00295227/step Wall: 416.882, 0.00295227/step, 3.98475 hours remaining, 203.941406 MB of memory in use. ENERGY: 141000 725.3927 2043.5337 1972.6742 110.5230 -205605.6066 17775.2912 0.0000 0.0000 34337.1885 -148641.0033 299.8752 -182978.1918 -148543.3938 299.5316 -31.0111 0.4341 558722.2863 -19.5842 -19.6298 PRESSURE: 141200 29.3676 11.0513 -190.927 11.0502 -34.5294 -67.1271 -190.927 -67.1283 -211.28 GPRESSURE: 141200 72.7099 -6.89798 -210.347 -48.4819 15.2695 -105.414 -211.829 -131.541 -218.678 PRESSAVG: 141200 -9.05389 33.0922 44.8401 33.0922 -25.4378 -26.5811 44.8403 -26.5812 32.0055 GPRESSAVG: 141200 -7.37778 34.1006 45.4723 32.3579 -25.8283 -29.9118 43.0115 -23.8021 30.6366 TIMING: 141200 CPU: 417.478, 0.0029799/step Wall: 417.478, 0.0029799/step, 4.02187 hours remaining, 203.941406 MB of memory in use. ENERGY: 141200 742.7697 2102.9940 1971.9998 120.2723 -205603.1680 17609.4652 0.0000 0.0000 34333.0323 -148722.6346 299.8389 -183055.6670 -148631.4846 300.0266 -72.1472 -43.5663 558158.4482 -0.8287 -0.8565 PRESSURE: 141400 -127.1 166.749 152.804 166.749 84.2982 -63.9622 152.805 -63.9647 -29.2321 GPRESSURE: 141400 -63.0297 128.232 200.85 185.591 109.744 -20.497 137.558 -47.5039 -26.101 PRESSAVG: 141400 -19.7138 -12.6616 -20.4213 -12.6616 47.7407 9.10897 -20.4213 9.10889 -31.0297 GPRESSAVG: 141400 -21.0426 -15.9135 -20.245 -12.5942 48.5887 9.39743 -19.5405 8.31941 -30.7281 TIMING: 141400 CPU: 418.074, 0.00297953/step Wall: 418.074, 0.00297953/step, 4.0212 hours remaining, 203.941406 MB of memory in use. ENERGY: 141400 749.4921 2085.4438 1983.6476 123.1574 -205832.6027 17745.3861 0.0000 0.0000 34445.3720 -148700.1037 300.8200 -183145.4757 -148606.8293 299.9586 -24.0114 6.8712 559319.6100 -1.0010 -1.0606 PRESSURE: 141600 23.2368 -0.0761839 1.1236 -0.0767364 172.274 147.817 1.12347 147.816 -69.9497 GPRESSURE: 141600 59.0439 -10.3827 38.6616 -31.4506 225.651 115.205 -54.3611 160.594 -67.8076 PRESSAVG: 141600 25.9253 -27.2284 -27.0457 -27.2285 -3.0091 45.9555 -27.0458 45.9555 -34.8794 GPRESSAVG: 141600 25.9013 -25.9105 -28.1254 -26.7141 -4.08186 47.1933 -25.391 44.9717 -34.0362 TIMING: 141600 CPU: 418.666, 0.00296265/step Wall: 418.666, 0.00296265/step, 3.99826 hours remaining, 203.941406 MB of memory in use. ENERGY: 141600 765.0654 2047.3906 1969.5704 101.1168 -205700.3242 17958.4158 0.0000 0.0000 34278.7985 -148579.9667 299.3653 -182858.7653 -148478.8077 300.8173 41.8537 72.2959 559105.1023 -3.9877 -4.0722 PRESSURE: 141800 159.378 86.4676 -5.44541 86.4689 188.508 -116.664 -5.44762 -116.664 312.506 GPRESSURE: 141800 186.627 -24.9421 29.7384 93.2557 210.554 -99.6362 86.2264 4.42606 348.24 PRESSAVG: 141800 32.738 -21.9582 24.8284 -21.9583 -14.7594 -22.041 24.8283 -22.0409 -25.1104 GPRESSAVG: 141800 32.561 -21.09 23.8991 -22.0033 -14.3463 -24.3696 24.2045 -21.5596 -25.2843 TIMING: 141800 CPU: 419.258, 0.00295572/step Wall: 419.258, 0.00295572/step, 3.98874 hours remaining, 203.941406 MB of memory in use. ENERGY: 141800 724.6473 2078.1133 1950.8408 114.5216 -206035.0406 18096.4352 0.0000 0.0000 34281.2253 -148789.2570 299.3865 -183070.4823 -148696.8013 299.9848 220.1304 248.4735 558179.5794 -2.3773 -2.3565 PRESSURE: 142000 16.4453 210.303 -17.0006 210.303 -270.346 75.3583 -16.9992 75.3575 -212.542 GPRESSURE: 142000 35.9208 117.572 -134.105 270.698 -213.432 143.597 -19.2407 -12.9972 -196.869 PRESSAVG: 142000 -40.7858 -12.4727 -12.7889 -12.4726 1.70665 -12.1597 -12.7889 -12.1598 78.4883 GPRESSAVG: 142000 -40.9891 -14.1053 -13.2059 -13.1903 1.99943 -11.007 -13.4595 -11.421 78.3462 TIMING: 142000 CPU: 419.848, 0.0029543/step Wall: 419.848, 0.0029543/step, 3.98667 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: 142000 726.6195 2061.2063 1937.3731 113.8166 -205309.7015 17533.1879 0.0000 0.0000 34164.6027 -148772.8954 298.3680 -182937.4981 -148674.0380 299.8919 -155.4807 -124.7932 559803.0131 13.1364 13.1188 PRESSURE: 142200 141.686 154.448 118.305 154.448 -112.817 -37.4915 118.304 -37.491 -79.5685 GPRESSURE: 142200 169.82 178.734 43.1335 130.94 -69.8915 -121.719 62.0394 -28.4593 -57.2442 PRESSAVG: 142200 -23.0925 50.4579 -19.3134 50.4579 -2.3773 3.18937 -19.3135 3.18944 52.8991 GPRESSAVG: 142200 -23.6154 51.3177 -17.0077 48.4681 -3.14637 3.57375 -19.8595 3.16496 53.814 TIMING: 142200 CPU: 420.439, 0.00295088/step Wall: 420.439, 0.00295088/step, 3.98189 hours remaining, 203.941406 MB of memory in use. ENERGY: 142200 741.6903 2105.0064 1944.2951 118.6830 -205460.9782 17469.0883 0.0000 0.0000 34236.6330 -148845.5821 298.9970 -183082.2151 -148752.8999 300.2684 -16.8998 14.2282 556971.3533 9.1431 9.0174 PRESSURE: 142400 100.567 -15.1781 -75.6823 -15.1772 283.551 -112.665 -75.6824 -112.666 208.05 GPRESSURE: 142400 128.256 -46.7605 -37.0623 35.9932 326.335 -146.691 9.89087 -106.135 233.448 PRESSAVG: 142400 -1.36711 43.4316 -55.0616 43.4317 3.6316 -20.1582 -55.0616 -20.1583 -19.4137 GPRESSAVG: 142400 -0.743132 43.5086 -56.6453 44.8168 4.63427 -20.2977 -54.4598 -21.6662 -20.6471 TIMING: 142400 CPU: 421.028, 0.00294492/step Wall: 421.028, 0.00294492/step, 3.97368 hours remaining, 203.941406 MB of memory in use. ENERGY: 142400 717.9843 2028.2277 1977.7375 123.9880 -205988.5692 17868.8309 0.0000 0.0000 34534.8013 -148736.9995 301.6010 -183271.8007 -148634.8195 299.6634 197.3893 229.3464 556810.0356 -5.7164 -5.5853 PRESSURE: 142600 -178.578 -99.2535 -198.196 -99.2532 52.6397 61.1035 -198.197 61.1017 -92.975 GPRESSURE: 142600 -132.31 -61.4638 -215.827 -105.474 81.1641 82.8111 -138.829 90.8476 -53.2635 PRESSAVG: 142600 16.2618 8.32244 -5.87063 8.32234 -3.16332 -27.1573 -5.87061 -27.1571 18.1958 GPRESSAVG: 142600 15.951 8.06932 -5.47476 7.75509 -4.46139 -26.3343 -5.45968 -26.4244 19.8544 TIMING: 142600 CPU: 421.62, 0.00296257/step Wall: 421.62, 0.00296257/step, 3.99734 hours remaining, 203.941406 MB of memory in use. ENERGY: 142600 745.9287 2033.1553 1958.6347 102.4667 -205426.9399 17474.6798 0.0000 0.0000 34391.2984 -148720.7764 300.3478 -183112.0748 -148621.7846 300.5983 -72.9710 -34.8031 558636.0910 10.4314 10.4480 PRESSURE: 142800 -20.0383 135.214 33.9125 135.214 40.9912 48.2152 33.912 48.2138 36.9046 GPRESSURE: 142800 -16.3106 89.7062 47.3214 139.962 152.175 -48.8653 51.4004 114.108 14.7034 PRESSAVG: 142800 -24.087 -23.5416 -22.5911 -23.5416 74.9544 -14.9871 -22.5912 -14.987 -30.6178 GPRESSAVG: 142800 -24.6489 -24.8045 -23.2584 -21.4898 76.936 -16.5556 -23.1498 -15.7076 -31.7796 TIMING: 142800 CPU: 422.207, 0.00293611/step Wall: 422.207, 0.00293611/step, 3.96147 hours remaining, 203.941406 MB of memory in use. ENERGY: 142800 709.8714 2072.4901 1962.0782 114.4809 -205903.2905 17776.0101 0.0000 0.0000 34328.8868 -148939.4730 299.8027 -183268.3598 -148836.7813 300.2901 19.2858 50.1894 558875.1679 6.7499 6.8358 PRESSURE: 143000 -17.9565 -6.16096 -104.837 -6.16133 187.451 -2.46379 -104.837 -2.46246 88.3893 GPRESSURE: 143000 1.40274 -87.7665 -124.503 43.2991 227.724 -66.826 -73.8762 12.7338 120.824 PRESSAVG: 143000 6.47093 -21.7668 7.05429 -21.7667 57.882 17.1785 7.05427 17.1786 -71.9331 GPRESSAVG: 143000 6.15879 -20.2691 6.26244 -21.9166 58.1003 17.3031 7.5283 18.2038 -71.4125 TIMING: 143000 CPU: 422.795, 0.00293618/step Wall: 422.795, 0.00293618/step, 3.9614 hours remaining, 203.941406 MB of memory in use. ENERGY: 143000 746.7446 2050.4601 1968.1910 100.9140 -206351.6761 18070.7242 0.0000 0.0000 34149.6845 -149264.9577 298.2377 -183414.6422 -149169.5328 298.9948 85.9614 116.6500 557222.0403 -2.5268 -2.3845 PRESSURE: 143200 103.625 -107.985 244.06 -107.986 34.4074 75.6985 244.06 75.6984 266.176 GPRESSURE: 143200 190.053 -87.5165 220.218 -131.125 58.1342 47.1543 238.72 43.1914 248.831 PRESSAVG: 143200 22.1654 -5.32803 -30.1232 -5.32804 -25.9682 44.7447 -30.1232 44.7447 -29.8497 GPRESSAVG: 143200 23.2709 -6.00566 -27.7626 -6.29361 -28.0534 43.7951 -32.8352 43.7601 -28.1691 TIMING: 143200 CPU: 423.387, 0.00296293/step Wall: 423.387, 0.00296293/step, 3.99733 hours remaining, 203.941406 MB of memory in use. ENERGY: 143200 725.3955 2100.0817 1968.9942 111.6696 -206035.3765 17990.4291 0.0000 0.0000 33993.6458 -149145.1607 296.8750 -183138.8064 -149056.2634 298.7532 134.7360 165.6728 556604.7826 -11.2175 -10.9839 PRESSURE: 143400 -241.788 77.5104 -19.5026 77.5118 -68.2716 96.0847 -19.5024 96.0828 -342.505 GPRESSURE: 143400 -213.55 49.0312 -3.88175 37.2669 -83.053 143.505 -57.6551 36.558 -270.41 PRESSAVG: 143400 32.0594 -57.3314 49.6459 -57.3315 26.3146 -20.973 49.6458 -20.9731 -28.0431 GPRESSAVG: 143400 31.414 -55.2404 47.431 -57.4151 27.2481 -18.2535 52.0825 -21.2339 -28.7867 TIMING: 143400 CPU: 423.978, 0.00295224/step Wall: 423.978, 0.00295224/step, 3.98273 hours remaining, 203.941406 MB of memory in use. ENERGY: 143400 781.6848 2050.6431 1963.2424 103.2972 -206024.5614 17500.3133 0.0000 0.0000 34152.3912 -149472.9895 298.2613 -183625.3807 -149377.9804 299.1672 -217.5217 -189.0043 557277.8475 10.1103 9.9585 PRESSURE: 143600 -23.5274 -63.8466 -102.484 -63.8476 52.6184 -226.58 -102.484 -226.579 -41.4772 GPRESSURE: 143600 -40.2337 -70.5496 -84.0105 -113.763 111.144 -277.301 -100.575 -160.94 20.0551 PRESSAVG: 143600 40.4862 65.05 -30.311 65.05 7.06386 -91.7124 -30.311 -91.7124 -50.9612 GPRESSAVG: 143600 41.1203 63.6404 -28.2337 65.4233 8.03852 -95.9022 -32.4636 -88.943 -52.6773 TIMING: 143600 CPU: 424.569, 0.00295889/step Wall: 424.569, 0.00295889/step, 3.99155 hours remaining, 203.941406 MB of memory in use. ENERGY: 143600 790.1485 2041.4268 1956.1786 104.3366 -206912.7383 18128.8783 0.0000 0.0000 34440.6376 -149451.1319 300.7787 -183891.7695 -149345.7432 298.0212 -4.1287 30.3219 558608.2500 -1.1370 -1.1728 PRESSURE: 143800 179.997 -30.7268 -1.69933 -30.7267 351.661 -117.821 -1.70004 -117.822 304.247 GPRESSURE: 143800 222.166 -38.7021 44.2433 89.6995 359.971 -65.7886 -31.6547 -161.634 340.08 PRESSAVG: 143800 -57.0002 23.0847 10.0348 23.0847 4.89632 -62.3543 10.0349 -62.3543 59.4457 GPRESSAVG: 143800 -58.1449 22.5715 8.92469 22.4282 4.78559 -61.6083 10.7938 -63.0869 60.9679 TIMING: 143800 CPU: 425.163, 0.00296667/step Wall: 425.163, 0.00296667/step, 4.00187 hours remaining, 203.941406 MB of memory in use. ENERGY: 143800 692.9395 2052.4029 1941.8905 101.6867 -206656.9288 18244.9483 0.0000 0.0000 34055.9307 -149567.1304 297.4189 -183623.0611 -149472.3215 297.3406 278.6351 307.4060 559151.3785 2.4473 2.5362 PRESSURE: 144000 -274.656 -12.4611 76.8814 -12.4612 -354.616 -2.32454 76.8813 -2.32581 -67.5933 GPRESSURE: 144000 -214.975 10.5019 -99.6658 -7.15607 -374.237 -33.4103 109.993 39.2503 -14.7021 PRESSAVG: 144000 -63.0445 13.3689 -64.4788 13.3689 -4.23883 -30.6573 -64.4787 -30.6573 73.5609 GPRESSAVG: 144000 -62.2813 13.694 -63.9672 13.5741 -4.66556 -30.62 -64.0485 -30.9199 73.2027 TIMING: 144000 CPU: 425.755, 0.00296071/step Wall: 425.755, 0.00296071/step, 3.99367 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: 144000 720.3916 2027.3379 1964.8666 102.7052 -206404.3652 17785.1511 0.0000 0.0000 34277.4050 -149526.5078 299.3531 -183803.9127 -149422.8199 297.9136 -232.2886 -201.3045 559477.3732 2.0925 2.0853 PRESSURE: 144200 95.1243 24.8022 2.20317 24.8023 -12.5555 -67.5266 2.2035 -67.5263 -210.988 GPRESSURE: 144200 113.409 -31.3097 3.5586 87.1205 43.8234 -46.1305 -46.5482 -104.642 -183.96 PRESSAVG: 144200 26.7237 1.83101 1.31197 1.83106 11.2817 0.52104 1.3119 0.521099 4.91129 GPRESSAVG: 144200 27.2453 1.11512 0.0433129 2.70435 11.1113 3.2854 2.07581 0.00607727 4.62823 TIMING: 144200 CPU: 426.351, 0.00297997/step Wall: 426.351, 0.00297997/step, 4.01949 hours remaining, 203.941406 MB of memory in use. ENERGY: 144200 736.1144 2121.8465 1930.8177 114.8001 -206533.4503 17921.6986 0.0000 0.0000 34264.5001 -149443.6731 299.2404 -183708.1732 -149352.9034 298.8148 -42.8064 -8.9092 558359.7264 14.3056 14.3282 LDB: ============= START OF LOAD BALANCING ============== 429.775 LDB: ============== END OF LOAD BALANCING =============== 429.775 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 429.777 LDB: ============= START OF LOAD BALANCING ============== 430.072 LDB: Largest compute 4848 load 0.026557 is 22.5% of average load 0.117805 LDB: Average compute 0.001728 is 1.5% of average load 0.117805 LDB: TIME 430.074 LOAD: AVG 0.117805 MAX 0.195824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.66 MB LDB: TIME 430.074 LOAD: AVG 0.117805 MAX 0.195824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.859 MB LDB: TIME 430.074 LOAD: AVG 0.117805 MAX 0.195824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 430.076 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 430.08 PRESSURE: 144400 -146.543 19.7445 116.139 19.7441 -214.947 96.1152 116.138 96.1157 -370.06 GPRESSURE: 144400 -101.556 -31.3028 92.5217 93.2248 -206.43 106.624 112.831 63.6822 -339.822 PRESSAVG: 144400 -6.32897 6.88237 -33.4654 6.88241 27.5829 -20.8716 -33.4655 -20.8714 -17.6264 GPRESSAVG: 144400 -6.10529 6.98968 -32.3254 4.70322 27.6136 -21.4154 -34.3908 -22.1239 -17.9074 TIMING: 144400 CPU: 426.95, 0.00299786/step Wall: 426.95, 0.00299786/step, 4.04344 hours remaining, 202.011719 MB of memory in use. ENERGY: 144400 740.7306 2101.0089 1967.9336 119.8702 -205995.9356 17443.4235 0.0000 0.0000 34223.2856 -149399.6831 298.8805 -183622.9688 -149295.6985 298.9206 -243.8498 -215.9360 559084.7644 1.2092 1.2003 PRESSURE: 144600 -209.626 -41.9869 -36.5886 -41.9864 -157.355 7.39912 -36.5893 7.39834 94.1499 GPRESSURE: 144600 -196.646 -119.163 46.7522 36.8057 -120.247 50.1734 -37.9807 -63.8488 141.078 PRESSAVG: 144600 -34.2855 -14.9704 -4.81928 -14.9704 27.3947 9.48283 -4.81926 9.48274 7.41058 GPRESSAVG: 144600 -33.6273 -17.5033 -4.58387 -11.8567 28.2732 11.1943 -3.25115 9.31221 5.93046 TIMING: 144600 CPU: 427.543, 0.00296172/step Wall: 427.543, 0.00296172/step, 3.99453 hours remaining, 202.011719 MB of memory in use. ENERGY: 144600 743.6238 2132.3820 1963.6843 104.4641 -206204.8843 17835.6378 0.0000 0.0000 34175.3372 -149249.7550 298.4617 -183425.0922 -149155.3105 299.0297 -90.9437 -58.6052 557384.2624 0.1733 0.1921 PRESSURE: 144800 52.8234 21.0884 -55.1401 21.0882 -60.3594 63.9609 -55.1391 63.961 78.9717 GPRESSURE: 144800 61.1356 32.943 1.0662 38.3105 4.13912 101.59 -138.588 -0.26443 107.101 PRESSAVG: 144800 33.6126 -6.83324 -11.948 -6.83325 10.0904 24.4619 -11.9481 24.4619 -65.2181 GPRESSAVG: 144800 32.7335 -4.63252 -12.9404 -9.653 9.92956 23.134 -13.1078 25.5603 -63.8376 TIMING: 144800 CPU: 428.136, 0.00296571/step Wall: 428.136, 0.00296571/step, 3.99975 hours remaining, 202.011719 MB of memory in use. ENERGY: 144800 708.7288 2125.8891 1960.3383 123.4228 -205882.9722 17559.6717 0.0000 0.0000 34372.2173 -149032.7042 300.1811 -183404.9215 -148942.3954 299.4617 23.8119 57.4586 556613.7760 -7.1717 -7.0582 PRESSURE: 145000 -247.076 -36.7417 -11.3976 -36.7388 -2.98267 24.5345 -11.3981 24.5345 101.393 GPRESSURE: 145000 -190.338 -78.635 24.6479 -12.7255 39.386 -17.3002 -101.015 70.4964 96.5041 PRESSAVG: 145000 5.18176 -5.88125 41.5567 -5.88125 -27.8491 -18.9462 41.5567 -18.9463 83.3058 GPRESSAVG: 145000 5.99008 -5.13338 43.3921 -5.75693 -28.0157 -19.11 41.6359 -18.368 82.7982 TIMING: 145000 CPU: 428.727, 0.00295608/step Wall: 428.727, 0.00295608/step, 3.9866 hours remaining, 202.011719 MB of memory in use. ENERGY: 145000 727.2202 2144.4697 1984.2412 117.6525 -205648.9960 17527.7271 0.0000 0.0000 34312.8382 -148834.8471 299.6625 -183147.6853 -148742.3333 300.3320 -49.5551 -18.1493 557058.6835 20.2128 20.2575 PRESSURE: 145200 171.449 -87.9042 11.2428 -87.9042 336.941 -119.315 11.2434 -119.316 321.825 GPRESSURE: 145200 204.808 -91.7517 21.0614 -100.141 320.764 -179.277 26.6408 -146.152 378.313 PRESSAVG: 145200 -19.221 -33.8787 20.1768 -33.8786 29.8983 -22.5453 20.1767 -22.5452 -15.7614 GPRESSAVG: 145200 -19.7108 -34.3956 17.3632 -33.119 29.88 -21.5917 21.046 -22.8259 -15.9257 TIMING: 145200 CPU: 429.322, 0.00297581/step Wall: 429.322, 0.00297581/step, 4.01305 hours remaining, 202.011719 MB of memory in use. ENERGY: 145200 741.2968 2141.0262 1985.8731 135.1935 -206271.5882 18126.8625 0.0000 0.0000 34269.9997 -148871.3364 299.2884 -183141.3360 -148776.5407 300.7462 276.7382 301.2947 557197.1410 -1.6947 -1.9188 PRESSURE: 145400 -27.8246 87.9333 28.0309 87.9334 -217.845 -78.7506 28.0315 -78.7494 -206.134 GPRESSURE: 145400 -16.3957 175.102 -17.3778 98.7502 -197.783 -205.064 79.9976 -12.3108 -135.658 PRESSAVG: 145400 1.65435 -46.2305 -34.0887 -46.2306 -25.709 -24.8547 -34.0887 -24.8548 28.2594 GPRESSAVG: 145400 2.09154 -44.7941 -32.4396 -47.631 -25.9569 -27.0156 -34.1917 -23.9387 28.5097 TIMING: 145400 CPU: 429.916, 0.00296646/step Wall: 429.916, 0.00296646/step, 4.00027 hours remaining, 202.011719 MB of memory in use. ENERGY: 145400 774.2116 2148.2335 1955.4024 111.5786 -205727.0482 17574.5053 0.0000 0.0000 34236.0867 -148927.0302 298.9923 -183163.1169 -148837.8993 300.7728 -150.6013 -116.6122 557957.2824 1.4016 1.5481 PRESSURE: 145600 -35.7393 126.555 -179.271 126.555 -342.124 -94.4669 -179.271 -94.466 -39.0993 GPRESSURE: 145600 11.9579 122.181 -230.262 86.8653 -327.84 -139.373 -269.942 -44.6815 1.8455 PRESSAVG: 145600 57.1904 32.1438 -24.6289 32.1437 28.8633 2.35259 -24.6288 2.3526 -41.8938 GPRESSAVG: 145600 57.1112 29.933 -24.0402 34.5033 28.8755 4.4661 -27.0087 1.4607 -42.1182 TIMING: 145600 CPU: 430.506, 0.00294937/step Wall: 430.506, 0.00294937/step, 3.97707 hours remaining, 202.011719 MB of memory in use. ENERGY: 145600 774.4095 2077.1074 1960.1515 122.5267 -205982.5969 17562.8048 0.0000 0.0000 34407.2807 -149078.3164 300.4873 -183485.5971 -148992.1566 299.8816 -138.9877 -104.6790 558312.3746 14.7200 14.6228 PRESSURE: 145800 186.203 121.332 99.5547 121.331 380.416 56.9969 99.5546 56.9989 -78.6926 GPRESSURE: 145800 218.269 52.4686 59.0266 95.9618 394.379 59.7445 124.21 24.0819 -34.5043 PRESSAVG: 145800 -23.7297 -18.4525 -1.67819 -18.4525 22.1952 0.301375 -1.67824 0.301435 31.4826 GPRESSAVG: 145800 -23.4346 -17.483 -2.72681 -19.4482 22.4337 -0.566498 -0.235757 0.0582029 31.1098 TIMING: 145800 CPU: 431.1, 0.00297286/step Wall: 431.1, 0.00297286/step, 4.00857 hours remaining, 202.011719 MB of memory in use. ENERGY: 145800 754.9728 2107.4552 1969.9514 121.2109 -206141.0781 17923.4024 0.0000 0.0000 34063.6998 -149200.3855 297.4868 -183264.0853 -149106.5531 300.1908 162.6422 192.7148 557484.5862 9.9827 10.0363 PRESSURE: 146000 -77.6592 -39.6209 161.264 -39.6197 -101.593 -5.35529 161.265 -5.35547 -357.645 GPRESSURE: 146000 -51.7208 -34.4839 246.085 -115.244 -65.6355 -27.0862 55.5642 -20.9588 -330.503 PRESSAVG: 146000 -43.761 -32.4242 -43.072 -32.424 34.3285 -27.5588 -43.0719 -27.5588 -26.6319 GPRESSAVG: 146000 -44.3612 -33.021 -42.1252 -32.001 32.691 -25.6841 -42.8386 -26.4875 -24.3429 TIMING: 146000 CPU: 431.69, 0.00294768/step Wall: 431.69, 0.00294768/step, 3.97446 hours remaining, 202.277344 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: 146000 789.3751 2055.4548 1974.1179 104.0561 -206222.6192 17654.0568 0.0000 0.0000 34337.3599 -149308.1986 299.8767 -183645.5585 -149207.4212 298.5413 -178.9657 -149.2865 558118.0175 -12.0215 -12.0044 PRESSURE: 146200 92.9765 58.9892 47.0326 58.9885 197.124 123.941 47.0323 123.939 -71.8997 GPRESSURE: 146200 91.4982 147.689 114.852 54.5741 205.532 90.5852 -4.35183 87.9592 22.8811 PRESSAVG: 146200 3.13774 -57.9128 32.4423 -57.9127 57.0473 -15.366 32.4423 -15.366 -42.5763 GPRESSAVG: 146200 4.46858 -57.4161 32.9295 -61.5376 57.843 -17.904 31.5465 -16.6592 -44.442 TIMING: 146200 CPU: 432.281, 0.00295441/step Wall: 432.281, 0.00295441/step, 3.98337 hours remaining, 202.277344 MB of memory in use. ENERGY: 146200 716.9662 2100.0517 1990.5605 114.3768 -206402.1612 17888.1542 0.0000 0.0000 34562.1050 -149029.9468 301.8395 -183592.0518 -148934.5771 299.3533 72.7334 106.6371 557431.1759 5.8696 5.9566 PRESSURE: 146400 -100.407 -2.32799 -87.1058 -2.3285 67.9703 112.481 -87.1056 112.482 -182.34 GPRESSURE: 146400 -107.62 113.156 -201.389 -24.2511 77.7482 127.999 6.86474 51.469 -92.4059 PRESSAVG: 146400 2.93305 33.4875 60.6035 33.4875 34.7503 -45.948 60.6036 -45.948 -64.3947 GPRESSAVG: 146400 2.01843 33.5995 57.709 34.4213 34.4909 -45.3577 63.0513 -48.517 -63.0179 TIMING: 146400 CPU: 432.869, 0.00294291/step Wall: 432.869, 0.00294291/step, 3.9677 hours remaining, 202.277344 MB of memory in use. ENERGY: 146400 752.8966 2081.4407 1955.4914 106.8381 -205767.5815 17636.3592 0.0000 0.0000 34471.0375 -148763.5181 301.0441 -183234.5556 -148663.3762 300.1580 -71.5921 -40.7591 559161.5709 -8.9038 -8.8362 PRESSURE: 146600 -24.6599 -193.507 -31.1812 -193.506 7.62037 -37.5968 -31.1801 -37.5952 9.36767 GPRESSURE: 146600 93.4022 -194.528 -55.5854 -230.124 4.30605 79.0913 -20.757 -106.199 -0.856634 PRESSAVG: 146600 24.0333 -53.0154 19.2409 -53.0155 27.4338 -24.9396 19.2408 -24.9397 -52.5834 GPRESSAVG: 146600 24.4568 -53.2684 20.5193 -51.4849 27.6111 -23.5563 19.0281 -22.6952 -53.9498 TIMING: 146600 CPU: 433.459, 0.00294765/step Wall: 433.459, 0.00294765/step, 3.97392 hours remaining, 202.277344 MB of memory in use. ENERGY: 146600 747.5502 2151.4895 1961.7428 109.7335 -205864.3103 17674.9798 0.0000 0.0000 34438.8311 -148779.9834 300.7629 -183218.8145 -148681.5626 300.3431 -2.5573 32.2839 558333.5570 -0.3721 -0.6273 PRESSURE: 146800 166.93 56.5959 -16.8984 56.5953 19.8389 167.24 -16.8972 167.241 -92.703 GPRESSURE: 146800 155.219 39.7041 -59.7451 103.744 65.8072 170.723 -2.6797 229.923 -43.7236 PRESSAVG: 146800 20.8067 -10.6403 -11.8273 -10.6403 15.1991 -19.3276 -11.8271 -19.3276 -71.5241 GPRESSAVG: 146800 21.3204 -8.76023 -10.5366 -9.41408 15.2847 -22.7495 -13.6193 -17.5231 -72.0757 TIMING: 146800 CPU: 434.048, 0.00294655/step Wall: 434.048, 0.00294655/step, 3.97228 hours remaining, 202.277344 MB of memory in use. ENERGY: 146800 789.9900 2137.0428 1980.7675 116.0216 -206160.5108 17892.5579 0.0000 0.0000 34485.5734 -148758.5575 301.1711 -183244.1309 -148658.4042 300.3665 31.3552 59.1007 558752.6452 -11.8394 -11.8235 PRESSURE: 147000 84.516 45.061 90.9036 45.0625 169.724 135.508 90.9049 135.509 186.932 GPRESSURE: 147000 104.672 130.375 24.0025 43.7802 260.63 198.191 150.659 69.9828 168.953 PRESSAVG: 147000 42.912 -49.5816 -79.4866 -49.5815 -41.0443 51.5385 -79.4866 51.5385 -16.5966 GPRESSAVG: 147000 42.9467 -48.5748 -82.0891 -51.1301 -41.8502 54.8577 -77.3694 49.6069 -16.1785 TIMING: 147000 CPU: 434.64, 0.00295799/step Wall: 434.64, 0.00295799/step, 3.98753 hours remaining, 202.277344 MB of memory in use. ENERGY: 147000 745.1811 2094.9525 1972.0500 104.6159 -206225.0743 18143.7333 0.0000 0.0000 34379.1017 -148785.4398 300.2412 -183164.5414 -148694.5508 300.0612 147.0572 178.0851 558147.8177 -4.9096 -5.0273 PRESSURE: 147200 120.232 -218.509 61.6093 -218.509 196.276 10.2621 61.6095 10.2624 -162.938 GPRESSURE: 147200 181.892 -186.904 21.5261 -185.811 143.922 78.1124 106.538 -15.2097 -82.3945 PRESSAVG: 147200 -51.2038 30.7399 -36.3584 30.7399 -17.5224 27.1841 -36.3585 27.184 104.547 GPRESSAVG: 147200 -51.897 29.0896 -32.4785 32.1191 -18.1728 26.3611 -38.8913 26.9017 106.322 TIMING: 147200 CPU: 435.231, 0.00295773/step Wall: 435.231, 0.00295773/step, 3.98702 hours remaining, 202.277344 MB of memory in use. ENERGY: 147200 730.5864 2099.6807 1951.5795 127.0928 -206143.5480 18046.6477 0.0000 0.0000 34331.2671 -148856.6938 299.8235 -183187.9609 -148760.3676 300.6002 51.1898 81.1399 559087.3899 11.9402 12.0841 PRESSURE: 147400 -84.9847 -148.324 -117.362 -148.323 12.6469 133.135 -117.362 133.135 58.2637 GPRESSURE: 147400 -5.86827 -77.3676 -134.653 -229.389 32.707 154.365 -117.889 179.395 64.5761 PRESSAVG: 147400 -54.553 -15.6246 19.179 -15.6246 20.2925 15.0672 19.1789 15.0671 3.11004 GPRESSAVG: 147400 -55.9397 -16.566 15.7862 -15.9917 21.7263 14.9471 19.4911 14.3777 2.58895 TIMING: 147400 CPU: 435.824, 0.00296603/step Wall: 435.824, 0.00296603/step, 3.99805 hours remaining, 202.277344 MB of memory in use. ENERGY: 147400 749.9882 2098.1895 1973.4350 120.9943 -206031.6071 17724.1260 0.0000 0.0000 34522.3203 -148842.5537 301.4920 -183364.8741 -148753.4129 300.5862 -4.6914 30.4716 557916.0303 -10.3835 -10.5415 PRESSURE: 147600 -163.979 -85.1094 -70.1509 -85.1099 -58.4044 20.357 -70.1516 20.3588 78.0991 GPRESSURE: 147600 -96.062 -0.0109941 -129.317 -92.3262 -57.2885 121.924 51.4087 -73.599 104.992 PRESSAVG: 147600 -56.4759 -33.9411 -24.6743 -33.941 -3.08361 -3.09768 -24.6743 -3.09771 5.19346 GPRESSAVG: 147600 -56.6018 -34.2733 -23.5846 -35.6185 -3.9061 -4.43946 -24.1644 -2.56312 6.45831 TIMING: 147600 CPU: 436.418, 0.00296695/step Wall: 436.418, 0.00296695/step, 3.99913 hours remaining, 202.277344 MB of memory in use. ENERGY: 147600 732.9853 2065.7749 1964.1404 120.8047 -206068.1257 17842.6129 0.0000 0.0000 34466.8276 -148874.9799 301.0074 -183341.8075 -148775.5110 300.6205 -48.0947 -16.1193 558812.1848 -18.1220 -18.0165 PRESSURE: 147800 -103.625 -176.88 32.378 -176.879 -79.7474 -98.2951 32.3764 -98.2943 110.989 GPRESSURE: 147800 -21.7229 -90.5178 -13.8858 -84.5305 -80.3962 -98.6469 36.3262 -28.0714 117.535 PRESSAVG: 147800 9.05732 -44.8168 -46.2951 -44.8168 -35.8618 -54.6951 -46.2951 -54.6953 47.3013 GPRESSAVG: 147800 11.2854 -43.5956 -45.9335 -43.5192 -36.2414 -52.3255 -48.4451 -54.2793 45.2683 TIMING: 147800 CPU: 437.007, 0.00294864/step Wall: 437.007, 0.00294864/step, 3.97428 hours remaining, 202.277344 MB of memory in use. ENERGY: 147800 716.3221 2063.7479 1969.0670 114.8045 -205703.5941 17689.7199 0.0000 0.0000 34417.9797 -148731.9531 300.5808 -183149.9328 -148634.6148 300.3938 -24.1276 5.1386 558027.1006 6.8323 6.7708 PRESSURE: 148000 72.748 228.521 -73.2585 228.521 216.522 -128.192 -73.2586 -128.191 26.3741 GPRESSURE: 148000 98.5328 224.45 -32.0138 192.304 230.202 -141.637 -163.135 -118.08 86.2502 PRESSAVG: 148000 0.111509 5.92913 -20.2736 5.92913 38.3889 24.3323 -20.2736 24.3322 -16.574 GPRESSAVG: 148000 -0.22194 5.52849 -20.3818 5.88098 37.9576 21.4825 -17.7087 26.1947 -16.5321 TIMING: 148000 CPU: 437.604, 0.00298325/step Wall: 437.604, 0.00298325/step, 4.02076 hours remaining, 202.277344 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: 148000 747.5702 2109.8875 1958.0859 120.5721 -205495.0241 17728.2279 0.0000 0.0000 34266.1189 -148564.5617 299.2545 -182830.6806 -148471.6123 301.0787 105.2146 138.3285 557796.4395 7.3088 7.0678 PRESSURE: 148200 -111.692 -30.4148 32.3922 -30.4157 238.135 24.438 32.3927 24.4372 166.479 GPRESSURE: 148200 -53.8346 3.89451 21.545 -104.189 212.851 58.4577 44.0211 4.66798 234.022 PRESSAVG: 148200 -3.56547 39.9685 -25.7633 39.9685 44.5999 18.873 -25.7632 18.873 -68.7765 GPRESSAVG: 148200 -4.81037 38.3224 -26.148 39.2928 43.995 18.1019 -28.2014 19.2529 -66.9871 TIMING: 148200 CPU: 438.198, 0.00297058/step Wall: 438.198, 0.00297058/step, 4.00351 hours remaining, 202.277344 MB of memory in use. ENERGY: 148200 740.9033 2157.4450 1980.2398 119.5902 -205973.6561 17873.2689 0.0000 0.0000 34415.2295 -148686.9795 300.5568 -183102.2089 -148593.4449 301.1027 97.6408 131.0128 556325.4169 -9.2474 -9.2675 LDB: ============= START OF LOAD BALANCING ============== 441.625 LDB: ============== END OF LOAD BALANCING =============== 441.625 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 441.626 LDB: ============= START OF LOAD BALANCING ============== 441.925 LDB: Largest compute 4848 load 0.025896 is 22.0% of average load 0.117701 LDB: Average compute 0.001730 is 1.5% of average load 0.117701 LDB: TIME 441.927 LOAD: AVG 0.117701 MAX 0.197331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.207 MB LDB: TIME 441.927 LOAD: AVG 0.117701 MAX 0.197331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.211 MB LDB: TIME 441.928 LOAD: AVG 0.117701 MAX 0.197331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 441.929 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 441.933 PRESSURE: 148400 257.695 10.9971 136.024 10.9956 -133.331 5.53256 136.024 5.53336 129.582 GPRESSURE: 148400 252.988 26.0823 137.881 65.5153 -36.2757 74.0515 101.614 -50.4572 142.521 PRESSAVG: 148400 28.4036 -47.4415 -16.6864 -47.4416 -32.6668 -18.9946 -16.6864 -18.9945 26.4923 GPRESSAVG: 148400 28.2142 -45.9197 -16.5584 -44.7252 -32.2887 -17.5379 -13.6272 -20.6614 26.3531 TIMING: 148400 CPU: 438.804, 0.00302861/step Wall: 438.804, 0.00302861/step, 4.08155 hours remaining, 204.003906 MB of memory in use. ENERGY: 148400 746.9590 2056.3077 1971.9168 105.4043 -206024.3550 17954.0230 0.0000 0.0000 34447.5726 -148742.1715 300.8392 -183189.7441 -148639.6287 300.6846 84.6484 119.7445 556296.3592 7.4097 7.4262 PRESSURE: 148600 -159.206 -108.709 -42.0356 -108.709 -164.293 131.626 -42.036 131.625 -51.6892 GPRESSURE: 148600 -127.247 -32.6484 -48.8579 -174.873 -122.157 106.016 -123.879 171.551 -32.3876 PRESSAVG: 148600 -41.9265 -23.2175 29.6631 -23.2174 3.99486 26.2993 29.6631 26.2993 53.446 GPRESSAVG: 148600 -41.6409 -25.0211 30.3895 -25.2725 4.41997 26.5367 29.4999 26.5646 52.5498 TIMING: 148600 CPU: 439.399, 0.00297397/step Wall: 439.399, 0.00297397/step, 4.00776 hours remaining, 204.203125 MB of memory in use. ENERGY: 148600 775.7989 2105.8852 1952.6073 114.0784 -205733.5592 17560.9806 0.0000 0.0000 34328.1596 -148896.0492 299.7964 -183224.2088 -148799.4826 299.9369 -125.0626 -93.9305 558547.5163 5.1715 5.1096 PRESSURE: 148800 56.9049 28.8695 -53.1649 28.8696 42.6778 144.617 -53.1654 144.617 -24.86 GPRESSURE: 148800 27.6218 23.7902 -50.8684 18.8402 120.857 194.889 -147.258 68.2682 16.2349 PRESSAVG: 148800 -1.99366 -47.3131 -42.5569 -47.3131 86.3063 32.2421 -42.5568 32.242 -89.5755 GPRESSAVG: 148800 -1.65224 -44.363 -41.6328 -47.5151 84.8861 33.3037 -44.7081 32.8547 -88.6977 TIMING: 148800 CPU: 439.987, 0.0029392/step Wall: 439.987, 0.0029392/step, 3.96074 hours remaining, 204.203125 MB of memory in use. ENERGY: 148800 752.3388 2123.1421 1937.0036 128.3729 -206097.9117 17856.3261 0.0000 0.0000 34432.0330 -148868.6952 300.7035 -183300.7282 -148767.4440 299.6731 24.9076 54.9044 558567.0947 -1.7543 -1.8213 PRESSURE: 149000 -87.4807 -6.3749 -165.27 -6.37493 121.722 -25.624 -165.269 -25.6232 -6.44054 GPRESSURE: 149000 -67.8873 -108.282 -162.941 38.4065 144.876 -64.4722 -105.28 -44.2806 52.1522 PRESSAVG: 149000 -27.5975 -25.8545 31.5759 -25.8546 13.9212 87.3138 31.5758 87.3139 23.3466 GPRESSAVG: 149000 -28.1133 -27.8008 31.9298 -25.597 16.0511 86.7914 34.6123 86.3644 22.2768 TIMING: 149000 CPU: 440.575, 0.00294213/step Wall: 440.575, 0.00294214/step, 3.96453 hours remaining, 204.203125 MB of memory in use. ENERGY: 149000 740.8153 2133.3340 1953.2855 100.3922 -206178.0430 18008.5844 0.0000 0.0000 34404.0654 -148837.5662 300.4593 -183241.6316 -148741.0840 300.2568 9.2670 43.0468 559558.8914 3.2234 3.4049 PRESSURE: 149200 -91.543 -20.8929 -38.0253 -20.8936 -48.5448 117.017 -38.0265 117.016 89.2031 GPRESSURE: 149200 -31.4393 34.1753 -50.8009 -23.3238 4.76814 157.996 -34.3855 110.828 69.2851 PRESSAVG: 149200 -30.0487 -37.5303 6.27966 -37.5303 61.208 19.1456 6.2796 19.1456 -17.6248 GPRESSAVG: 149200 -29.541 -36.0586 4.37503 -37.0535 59.8293 19.4596 6.41506 19.9169 -17.1774 TIMING: 149200 CPU: 441.167, 0.00295843/step Wall: 441.167, 0.00295843/step, 3.98632 hours remaining, 204.203125 MB of memory in use. ENERGY: 149200 743.0324 2127.2877 1941.8019 119.8150 -205705.6719 17703.0575 0.0000 0.0000 34206.6549 -148864.0226 298.7352 -183070.6775 -148781.8405 300.1801 -16.9616 14.2046 559310.8699 4.5115 4.3703 PRESSURE: 149400 -3.41054 -138.064 -47.2821 -138.064 26.2945 77.942 -47.2832 77.9416 -224.826 GPRESSURE: 149400 -23.8328 -58.5493 -75.7871 -164.097 100.617 31.0859 39.7797 137.532 -193.727 PRESSAVG: 149400 14.2722 34.2268 1.19655 34.2269 23.0332 13.6014 1.19651 13.6014 -0.523191 GPRESSAVG: 149400 12.9975 32.9429 2.70031 33.9659 24.3579 13.2355 0.97422 14.1218 0.353771 TIMING: 149400 CPU: 441.755, 0.00294298/step Wall: 441.755, 0.00294298/step, 3.96534 hours remaining, 204.203125 MB of memory in use. ENERGY: 149400 761.1799 2136.4643 1948.6271 118.2797 -205995.1427 17715.9895 0.0000 0.0000 34367.0631 -148947.5391 300.1361 -183314.6022 -148845.1646 300.0477 -67.3140 -38.9811 558336.0855 12.2607 12.5697 PRESSURE: 149600 -221.838 140.493 77.385 140.492 -148.578 77.6718 77.3854 77.6714 65.6608 GPRESSURE: 149600 -192.492 139.812 60.8687 147.067 -145.921 152.012 68.3873 17.1894 131.007 PRESSAVG: 149600 10.9578 29.4098 -33.6544 29.4098 -14.7252 38.8041 -33.6545 38.8041 4.70943 GPRESSAVG: 149600 11.6304 29.9688 -34.1287 29.4333 -15.2218 38.9966 -35.4522 35.6589 4.6197 TIMING: 149600 CPU: 442.345, 0.00295011/step Wall: 442.345, 0.00295011/step, 3.97479 hours remaining, 204.203125 MB of memory in use. ENERGY: 149600 758.7283 2059.5283 1963.1219 125.5970 -205814.0624 17694.1266 0.0000 0.0000 34266.3934 -148946.5667 299.2569 -183212.9601 -148854.8946 299.0966 -101.5851 -69.1353 559881.5961 0.3140 0.3428 PRESSURE: 149800 -23.6107 -209.644 149.646 -209.644 32.4049 -75.2203 149.646 -75.2201 -240.207 GPRESSURE: 149800 7.73271 -130.97 155.446 -202.563 52.0717 -133.13 117.647 55.8553 -197.895 PRESSAVG: 149800 -1.6962 16.9533 -38.2255 16.9533 -4.53595 -42.9387 -38.2254 -42.9386 -4.33465 GPRESSAVG: 149800 -1.30504 17.3109 -39.5782 14.7713 -4.48943 -43.4863 -35.2245 -41.6186 -4.70218 TIMING: 149800 CPU: 442.937, 0.00295626/step Wall: 442.937, 0.00295626/step, 3.98291 hours remaining, 204.203125 MB of memory in use. ENERGY: 149800 763.2718 2116.2035 1960.5504 107.9000 -206398.5979 17979.4635 0.0000 0.0000 34442.3020 -149028.9068 300.7932 -183471.2088 -148925.2742 299.0871 -77.1375 -46.0302 559713.1355 -3.5223 -3.4989 PRESSURE: 150000 -90.3958 27.4146 -54.8147 27.4157 -242.21 170.11 -54.8151 170.112 46.717 GPRESSURE: 150000 -59.8429 99.9195 -159.425 52.0842 -189.884 209.955 -89.2284 138.955 64.7094 PRESSAVG: 150000 20.0326 44.5204 -53.7737 44.5204 -72.5652 24.8505 -53.7737 24.8506 27.618 GPRESSAVG: 150000 19.9537 44.0321 -53.4103 47.4196 -71.5976 24.6096 -55.0492 26.7717 26.7731 TIMING: 150000 CPU: 443.528, 0.00295973/step Wall: 443.528, 0.00295973/step, 3.98741 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: 150000 745.2651 2070.9558 1952.1850 107.8854 -205994.6116 17778.1151 0.0000 0.0000 34352.8256 -148987.3796 300.0118 -183340.2052 -148891.8579 299.6031 -95.2964 -61.6725 559658.6377 -8.3049 -8.2903 PRESSURE: 150200 137.181 -69.0928 -241.972 -69.0927 -21.6597 135.702 -241.973 135.7 -42.0067 GPRESSURE: 150200 104.788 -60.7103 -190.244 -131.899 5.69065 109.33 -249.554 210.189 50.7924 PRESSAVG: 150200 61.7436 -12.8399 -57.574 -12.8398 -23.6092 24.4797 -57.574 24.4798 7.07095 GPRESSAVG: 150200 61.1845 -14.0588 -58.7275 -12.7719 -23.2302 22.7848 -57.4953 23.9257 7.59003 TIMING: 150200 CPU: 444.117, 0.00294366/step Wall: 444.117, 0.00294366/step, 3.9656 hours remaining, 204.203125 MB of memory in use. ENERGY: 150200 764.4714 2108.2321 1970.5978 102.7559 -206638.4147 18039.2309 0.0000 0.0000 34608.1426 -149044.9840 302.2415 -183653.1266 -148941.6268 300.0078 24.5048 53.7571 558203.8079 15.0684 15.1815 PRESSURE: 150400 17.5971 -109.34 119.959 -109.34 106.794 101.039 119.959 101.038 129.917 GPRESSURE: 150400 78.9139 -88.3211 128.29 -82.0909 78.681 140.239 117.991 88.6333 179.41 PRESSAVG: 150400 -42.0723 -33.9336 -12.4092 -33.9336 -5.83251 29.2123 -12.4091 29.2123 36.9502 GPRESSAVG: 150400 -41.0225 -32.439 -9.52093 -36.0285 -6.7183 30.6664 -13.7127 30.0464 37.1347 TIMING: 150400 CPU: 444.709, 0.00295725/step Wall: 444.709, 0.00295725/step, 3.98374 hours remaining, 204.203125 MB of memory in use. ENERGY: 150400 740.3676 2093.4824 1959.4337 113.6668 -205942.2508 17864.9894 0.0000 0.0000 34214.7531 -148955.5579 298.8059 -183170.3109 -148858.6439 299.8804 84.7694 112.3349 559646.9823 -3.6515 -3.5354 PRESSURE: 150600 20.5929 -19.8263 -198.133 -19.8269 -240.906 -7.38775 -198.133 -7.38931 -272.289 GPRESSURE: 150600 16.4402 54.5729 -168.334 -28.8039 -169.79 6.90614 -232.15 10.1884 -229.942 PRESSAVG: 150600 31.1046 -28.0784 6.66906 -28.0785 -47.9948 9.27328 6.66897 9.2733 16.0291 GPRESSAVG: 150600 30.8267 -28.6866 6.15483 -27.3692 -48.1298 9.80574 6.86619 9.25359 16.7357 TIMING: 150600 CPU: 445.302, 0.00296666/step Wall: 445.302, 0.00296666/step, 3.99625 hours remaining, 204.203125 MB of memory in use. ENERGY: 150600 753.3095 2047.9695 1951.4361 107.8624 -206061.6829 17772.6110 0.0000 0.0000 34382.8432 -149045.6511 300.2739 -183428.4943 -148942.4454 299.8212 -164.2007 -127.7641 559623.1895 -0.2870 -0.1891 PRESSURE: 150800 -9.9449 55.0128 -141.495 55.0128 112.302 -117.431 -141.495 -117.431 13.579 GPRESSURE: 150800 64.0383 150.877 -234.544 23.534 168.756 -140.624 -120.385 -93.9687 -21.9895 PRESSAVG: 150800 29.5059 11.7957 9.16093 11.7957 -16.001 -39.7681 9.161 -39.7681 -30.223 GPRESSAVG: 150800 31.2884 12.7096 6.5189 12.8982 -15.3401 -37.8539 10.8167 -43.5644 -32.1564 TIMING: 150800 CPU: 445.893, 0.00295311/step Wall: 445.893, 0.00295311/step, 3.97784 hours remaining, 204.203125 MB of memory in use. ENERGY: 150800 744.9187 2149.3837 1943.4475 114.6922 -205923.0552 17776.7246 0.0000 0.0000 33981.7572 -149212.1313 296.7711 -183193.8885 -149120.3912 299.4752 38.6452 70.2683 558581.7993 -5.5727 -5.4027 PRESSURE: 151000 -43.4062 154.245 41.3942 154.245 -57.4799 -59.479 41.3939 -59.4786 155.578 GPRESSURE: 151000 6.75421 37.0884 -23.7699 128.482 -24.0871 -1.0094 65.1634 -128.198 169.81 PRESSAVG: 151000 -5.21828 -42.8848 20.2274 -42.8847 15.8402 -36.4635 20.2273 -36.4634 30.9234 GPRESSAVG: 151000 -7.48614 -41.4259 20.2536 -44.6675 16.4567 -37.3325 21.3378 -35.4752 32.3463 TIMING: 151000 CPU: 446.479, 0.00293162/step Wall: 446.479, 0.00293162/step, 3.94873 hours remaining, 204.203125 MB of memory in use. ENERGY: 151000 706.9732 2138.7304 1955.9938 110.7658 -206292.4239 17902.7994 0.0000 0.0000 34201.1251 -149276.0362 298.6869 -183477.1613 -149175.9294 298.8246 18.2305 50.8258 558257.5428 13.8484 13.7723 PRESSURE: 151200 91.1931 -104.1 174.988 -104.1 -90.083 39.7183 174.988 39.7185 58.277 GPRESSURE: 151200 87.6944 -155.964 69.3348 -21.5364 -5.05178 40.9147 220.022 55.9572 69.0877 PRESSAVG: 151200 -17.5771 6.88425 54.5553 6.88425 -30.4313 -16.2246 54.5552 -16.2247 40.5546 GPRESSAVG: 151200 -17.4291 5.49107 57.4811 10.1173 -30.6887 -17.2593 52.9829 -14.2684 40.725 TIMING: 151200 CPU: 447.064, 0.00292398/step Wall: 447.064, 0.00292398/step, 3.93827 hours remaining, 204.203125 MB of memory in use. ENERGY: 151200 758.0442 2114.1536 1971.3141 122.4944 -206293.1773 17947.0853 0.0000 0.0000 34142.6933 -149237.3925 298.1766 -183380.0858 -149144.7257 298.9407 19.7957 50.5768 557681.0077 -2.4846 -2.4643 PRESSURE: 151400 -34.7998 -20.2363 -25.4278 -20.2375 -172.069 -2.30004 -25.4286 -2.29925 28.614 GPRESSURE: 151400 62.7969 4.44927 -13.9791 -78.0902 -162.02 0.457194 -45.2003 25.4618 18.8847 PRESSAVG: 151400 32.1536 26.9934 33.9526 26.9934 -10.4816 -18.3914 33.9526 -18.3913 -5.54332 GPRESSAVG: 151400 31.9812 26.3032 33.7912 26.484 -10.4516 -17.2527 32.6041 -20.2012 -4.95295 TIMING: 151400 CPU: 447.649, 0.00292899/step Wall: 447.649, 0.00292899/step, 3.94486 hours remaining, 204.203125 MB of memory in use. ENERGY: 151400 716.6787 2130.3297 1950.4502 109.5749 -206099.4616 17655.2267 0.0000 0.0000 34286.6869 -149250.5144 299.4342 -183537.2013 -149159.1294 298.9111 -59.4184 -26.7795 557523.4394 5.3762 5.5256 PRESSURE: 151600 197.096 -52.8026 -3.65636 -52.8032 -212.926 11.0817 -3.65558 11.0821 -162.897 GPRESSURE: 151600 221.575 -62.1097 -37.4843 24.4604 -171.057 -8.52937 11.5337 95.6185 -135.157 PRESSAVG: 151600 78.7027 -8.38795 83.4118 -8.3879 -19.814 -5.48963 83.4118 -5.48969 -62.8529 GPRESSAVG: 151600 79.1264 -9.68379 82.6006 -9.18133 -19.8468 -5.2667 83.5156 -3.00564 -63.216 TIMING: 151600 CPU: 448.234, 0.00292473/step Wall: 448.234, 0.00292473/step, 3.93896 hours remaining, 204.203125 MB of memory in use. ENERGY: 151600 759.0258 2120.0509 1949.1785 111.9194 -206211.9496 17786.1032 0.0000 0.0000 34067.5713 -149418.1005 297.5206 -183485.6718 -149324.2719 299.1398 -59.5756 -28.2132 557071.2320 -1.3214 -1.3121 PRESSURE: 151800 -125.673 -53.9321 56.2658 -53.9332 -147.899 96.1079 56.2651 96.1087 44.7223 GPRESSURE: 151800 -137.642 -84.4463 98.5779 -112.553 -51.7381 125.862 -1.52069 78.9572 50.4915 PRESSAVG: 151800 -33.7817 -29.4501 69.0095 -29.4501 -10.8633 53.2212 69.0094 53.2212 36.2311 GPRESSAVG: 151800 -34.3884 -29.5378 68.811 -29.0489 -10.6708 53.0049 68.5911 52.0704 36.4275 TIMING: 151800 CPU: 448.827, 0.00296075/step Wall: 448.827, 0.00296075/step, 3.98731 hours remaining, 204.203125 MB of memory in use. ENERGY: 151800 757.1732 2097.2318 1939.1830 118.6399 -206113.6832 17572.2377 0.0000 0.0000 34319.8058 -149309.4119 299.7234 -183629.2176 -149215.3708 298.8708 -76.2832 -46.2962 557328.4506 -2.8046 -2.8772 PRESSURE: 152000 124.815 43.7704 34.3732 43.7706 -74.733 23.5595 34.3734 23.5607 -64.8123 GPRESSURE: 152000 140.521 31.932 -14.2587 -7.39608 -30.8008 44.5792 105.136 4.21109 -24.45 PRESSAVG: 152000 57.8361 -48.4155 36.8959 -48.4155 -21.9684 -38.0418 36.8958 -38.0417 -49.4056 GPRESSAVG: 152000 58.2645 -48.4026 37.3579 -49.2026 -21.5605 -39.0042 37.4489 -37.7398 -50.3426 TIMING: 152000 CPU: 449.416, 0.00294836/step Wall: 449.416, 0.00294836/step, 3.97045 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: 152000 738.7472 2104.3527 1972.5837 106.9922 -206334.1600 17832.7559 0.0000 0.0000 34235.6899 -149343.0384 298.9888 -183578.7283 -149244.0501 298.8369 -4.9100 28.4236 557495.8733 -4.5126 -4.5462 PRESSURE: 152200 61.0982 103.743 -57.276 103.743 50.3871 -106.684 -57.276 -106.683 -249.309 GPRESSURE: 152200 51.6991 147.829 -52.6514 152.496 54.9693 -53.4765 -50.4403 -161.812 -142.504 PRESSAVG: 152200 3.91881 20.8426 -1.73327 20.8425 56.0301 -90.9067 -1.73332 -90.9068 -51.0085 GPRESSAVG: 152200 3.84463 22.5683 -2.30383 20.3391 55.5339 -90.7407 -0.681231 -92.5005 -50.4343 TIMING: 152200 CPU: 450.004, 0.00293647/step Wall: 450.004, 0.00293647/step, 3.95429 hours remaining, 204.203125 MB of memory in use. ENERGY: 152200 716.5352 2057.6213 1939.4337 110.3832 -206022.3185 17653.3253 0.0000 0.0000 34248.9599 -149296.0599 299.1047 -183545.0198 -149194.8388 299.1722 -45.9411 -11.9454 557174.0160 2.9801 2.9814 LDB: ============= START OF LOAD BALANCING ============== 453.428 LDB: ============== END OF LOAD BALANCING =============== 453.428 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 453.429 LDB: ============= START OF LOAD BALANCING ============== 453.724 LDB: Largest compute 4848 load 0.025421 is 21.6% of average load 0.117711 LDB: Average compute 0.001730 is 1.5% of average load 0.117711 LDB: TIME 453.726 LOAD: AVG 0.117711 MAX 0.196669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.492 MB LDB: TIME 453.726 LOAD: AVG 0.117711 MAX 0.196669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.699 MB LDB: TIME 453.726 LOAD: AVG 0.117711 MAX 0.196669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 453.729 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 453.733 PRESSURE: 152400 -165.755 -23.3516 -26.4946 -23.3516 -78.1431 246.613 -26.4936 246.613 160.747 GPRESSURE: 152400 -93.7029 23.3407 -82.2174 -27.7367 -60.1592 292.682 43.0235 267.03 162.668 PRESSAVG: 152400 -17.298 61.7669 -27.6961 61.7669 -56.9446 40.4645 -27.696 40.4643 41.2932 GPRESSAVG: 152400 -18.6939 62.1173 -25.9745 64.5359 -55.8398 41.3779 -30.103 42.3756 41.0675 TIMING: 152400 CPU: 450.603, 0.00299817/step Wall: 450.603, 0.00299817/step, 4.03721 hours remaining, 203.441406 MB of memory in use. ENERGY: 152400 732.4480 2039.8288 1970.8131 130.8825 -206621.9040 17911.4011 0.0000 0.0000 34426.8488 -149409.6818 300.6582 -183836.5305 -149305.6297 299.2360 -27.7168 2.9353 556770.5340 -10.9831 -11.1554 PRESSURE: 152600 97.8969 114.284 213.919 114.286 -229.622 -138.898 213.919 -138.899 68.3271 GPRESSURE: 152600 84.8491 127.459 205.58 126.847 -167.802 -196.955 153.478 -142.047 119.237 PRESSAVG: 152600 90.3353 39.9862 18.7058 39.9862 -72.9352 42.418 18.7057 42.418 16.6849 GPRESSAVG: 152600 91.1536 39.4622 15.071 38.9568 -73.1333 40.8044 22.074 41.0946 16.2604 TIMING: 152600 CPU: 451.192, 0.00294644/step Wall: 451.192, 0.00294644/step, 3.96739 hours remaining, 203.441406 MB of memory in use. ENERGY: 152600 769.2020 2114.3516 1982.0501 123.7147 -206490.5522 17906.8868 0.0000 0.0000 34243.8133 -149350.5336 299.0597 -183594.3470 -149257.0369 298.4305 -21.1325 12.0945 557016.3665 11.3617 11.4269 PRESSURE: 152800 231.7 67.2338 6.08446 67.2328 -126.255 -56.6951 6.08445 -56.6951 -111.704 GPRESSURE: 152800 226.219 77.0439 56.6449 84.5441 -89.4484 -6.1341 53.1777 -62.566 -36.0991 PRESSAVG: 152800 -7.5782 20.4688 -42.4031 20.4687 18.2066 -5.94279 -42.4032 -5.94285 -79.6218 GPRESSAVG: 152800 -8.43675 19.7092 -39.4649 20.6054 18.3111 -5.27427 -45.9173 -4.91658 -78.7997 TIMING: 152800 CPU: 451.782, 0.00294513/step Wall: 451.782, 0.00294513/step, 3.96545 hours remaining, 203.441406 MB of memory in use. ENERGY: 152800 739.4100 2046.2344 1964.6253 111.4996 -206144.7899 17808.3464 0.0000 0.0000 34269.5343 -149205.1397 299.2844 -183474.6741 -149108.5761 299.3379 -2.0862 33.5570 557927.5261 -22.9978 -22.9751 PRESSURE: 153000 -239.248 17.6536 89.1877 17.6534 -6.87236 -24.1319 89.1875 -24.1321 -207.055 GPRESSURE: 153000 -253.996 -53.1681 -23.4355 61.815 37.2112 -90.9804 139.74 -45.5458 -151.624 PRESSAVG: 153000 75.4238 28.6973 44.1182 28.6972 33.4673 -5.12399 44.1182 -5.12409 -61.1846 GPRESSAVG: 153000 75.7762 28.7132 42.715 28.9653 33.4299 -5.13786 47.2351 -4.82049 -61.5812 TIMING: 153000 CPU: 452.371, 0.00294699/step Wall: 452.371, 0.00294699/step, 3.9678 hours remaining, 203.441406 MB of memory in use. ENERGY: 153000 772.6126 2031.9735 1939.0818 111.7274 -205796.1404 17678.8206 0.0000 0.0000 34004.5065 -149257.4180 296.9698 -183261.9245 -149158.4557 298.5152 -151.0584 -122.8031 558930.7100 15.9022 15.8750 PRESSURE: 153200 13.2506 138.842 9.41842 138.841 118.298 263.449 9.41805 263.448 -54.4004 GPRESSURE: 153200 63.6351 133.422 60.3789 178.312 154.762 321.536 -29.2457 264.045 -44.8509 PRESSAVG: 153200 1.20799 -12.2283 7.35997 -12.2282 11.4201 15.7939 7.35992 15.7939 -11.5184 GPRESSAVG: 153200 1.25096 -11.776 8.57445 -12.7073 11.4283 15.385 5.04136 14.6693 -11.3683 TIMING: 153200 CPU: 452.961, 0.00295041/step Wall: 452.961, 0.00295041/step, 3.97224 hours remaining, 203.441406 MB of memory in use. ENERGY: 153200 757.4018 2047.5550 1953.5010 113.7956 -206281.9201 17863.1012 0.0000 0.0000 34206.1833 -149340.3821 298.7311 -183546.5655 -149248.8552 298.6839 25.7162 57.8489 557530.1781 0.3699 0.4370 PRESSURE: 153400 97.5788 -16.3444 31.2844 -16.3446 65.0912 173.612 31.2836 173.613 71.2668 GPRESSURE: 153400 180.944 -48.4394 29.263 32.3908 43.0601 101.862 60.3303 203.727 89.6412 PRESSAVG: 153400 -26.7755 -20.4828 -31.3889 -20.4829 74.2826 8.11636 -31.3888 8.1164 -32.2124 GPRESSAVG: 153400 -25.4393 -22.96 -30.7859 -18.9337 73.8288 7.33433 -29.3234 7.99689 -32.5122 TIMING: 153400 CPU: 453.554, 0.00296371/step Wall: 453.554, 0.00296371/step, 3.98998 hours remaining, 203.441406 MB of memory in use. ENERGY: 153400 759.9511 2066.3496 1957.1689 107.3703 -206590.6566 18072.9370 0.0000 0.0000 34285.0553 -149341.8244 299.4199 -183626.8797 -149243.0987 298.3988 77.9790 104.5485 558554.4234 5.0982 5.2924 PRESSURE: 153600 -509.178 4.94046 73.9657 4.93906 -332.187 -55.4945 73.9662 -55.4936 -88.5175 GPRESSURE: 153600 -456.141 -23.2448 136.505 46.4474 -309.576 -7.95812 27.5118 -121.04 -82.4473 PRESSAVG: 153600 -5.32011 6.23426 28.5579 6.23429 -45.1268 -9.67015 28.5579 -9.67014 18.9564 GPRESSAVG: 153600 -6.75206 8.91941 26.1898 4.47293 -44.7954 -10.5108 27.9397 -8.64477 20.1505 TIMING: 153600 CPU: 454.143, 0.00294634/step Wall: 454.143, 0.00294634/step, 3.96642 hours remaining, 203.441406 MB of memory in use. ENERGY: 153600 780.6813 2072.8773 1989.6753 105.7707 -205876.9124 17586.6837 0.0000 0.0000 34030.8009 -149310.4232 297.1994 -183341.2241 -149211.8956 298.3701 -309.9610 -282.7212 560317.0321 -10.4968 -10.4657 PRESSURE: 153800 -193.956 -218.038 167.886 -218.04 -476.787 53.8694 167.887 53.8678 -558.663 GPRESSURE: 153800 -166.027 -170.575 127.246 -268.305 -396.65 38.3283 198.799 122.358 -572.267 PRESSAVG: 153800 -47.4932 -7.36351 34.9838 -7.36354 -7.85699 -2.02146 34.9838 -2.02144 7.80683 GPRESSAVG: 153800 -47.5775 -7.76125 34.9464 -6.6656 -7.90137 -1.1754 35.8006 -3.02961 8.30433 TIMING: 153800 CPU: 454.729, 0.00293132/step Wall: 454.729, 0.00293132/step, 3.94605 hours remaining, 203.441406 MB of memory in use. ENERGY: 153800 793.8557 2041.0514 1962.3260 92.1084 -205573.7522 17267.0531 0.0000 0.0000 34035.4884 -149381.8692 297.2404 -183417.3576 -149284.7101 298.6217 -409.8020 -378.3149 559506.0266 -15.8478 -15.7248 PRESSURE: 154000 0.66775 74.928 50.8568 74.9285 -204.478 -151.505 50.8572 -151.504 -38.8265 GPRESSURE: 154000 13.5207 109.944 -61.0479 53.4525 -164.105 -154.668 -18.8623 -112.543 -1.31035 PRESSAVG: 154000 91.7857 -37.1901 2.81987 -37.1901 -32.3065 -1.43115 2.81997 -1.43108 -23.0618 GPRESSAVG: 154000 91.709 -38.8953 2.19078 -36.9425 -31.8875 -1.09984 3.19629 -1.98678 -23.5226 TIMING: 154000 CPU: 455.32, 0.00295514/step Wall: 455.32, 0.00295514/step, 3.97794 hours remaining, 203.441406 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: 154000 799.8051 2014.0124 1942.3276 120.2326 -206205.5305 17825.0186 0.0000 0.0000 34095.3532 -149408.7810 297.7632 -183504.1342 -149316.1925 297.9631 -80.8788 -50.6316 558105.3936 12.1391 12.0996 PRESSURE: 154200 68.3469 174.175 -42.9336 174.176 -66.6829 9.41699 -42.9341 9.41793 43.1411 GPRESSURE: 154200 60.0389 242.521 -7.35837 147.659 2.81064 20.5782 27.5493 21.3437 70.4363 PRESSAVG: 154200 42.305 -19.193 41.9332 -19.193 14.8063 -35.7503 41.9332 -35.7502 12.7378 GPRESSAVG: 154200 42.268 -18.8893 43.5754 -17.9072 15.2214 -35.1134 40.5862 -33.904 12.4272 TIMING: 154200 CPU: 455.912, 0.00295914/step Wall: 455.912, 0.00295914/step, 3.98316 hours remaining, 203.441406 MB of memory in use. ENERGY: 154200 738.3928 2000.5327 1946.6184 106.1304 -206433.8152 18058.5447 0.0000 0.0000 34260.4322 -149323.1640 299.2049 -183583.5962 -149222.1760 298.7420 14.9350 44.4286 558164.5948 23.2830 23.3055 PRESSURE: 154400 -48.9188 -38.8878 117.678 -38.8882 279.262 137.016 117.679 137.016 -48.8774 GPRESSURE: 154400 -33.7151 -41.5533 65.0601 -67.4316 293.564 182.164 187.732 109.039 19.082 PRESSAVG: 154400 -33.652 -15.8325 33.5315 -15.8325 7.82449 -11.7163 33.5315 -11.7162 -7.82424 GPRESSAVG: 154400 -33.1377 -15.1381 32.6578 -16.7653 7.51384 -12.7482 34.8024 -11.9146 -7.82078 TIMING: 154400 CPU: 456.502, 0.00295128/step Wall: 456.502, 0.00295128/step, 3.97242 hours remaining, 203.441406 MB of memory in use. ENERGY: 154400 764.1603 2030.0223 1950.1680 123.1674 -206203.4830 17958.0387 0.0000 0.0000 34155.4529 -149222.4734 298.2881 -183377.9263 -149130.4715 298.9611 60.4888 92.9770 557261.4251 -11.2172 -11.1482 PRESSURE: 154600 151.484 26.2029 142.501 26.2024 -152.307 -41.0869 142.5 -41.0876 143.752 GPRESSURE: 154600 170.35 74.5129 17.6526 59.3007 -108.353 -10.6716 118.532 -14.1909 164.083 PRESSAVG: 154600 51.7817 57.063 -18.154 57.063 35.5083 -12.9037 -18.1541 -12.9037 -50.2652 GPRESSAVG: 154600 51.2585 57.23 -17.8746 57.0396 35.2217 -13.4327 -19.5944 -11.0381 -49.6451 TIMING: 154600 CPU: 457.092, 0.002947/step Wall: 457.092, 0.002947/step, 3.9665 hours remaining, 203.441406 MB of memory in use. ENERGY: 154600 720.8979 2114.3718 1967.9842 106.8436 -205937.1147 17789.9851 0.0000 0.0000 34214.2201 -149022.8120 298.8013 -183237.0321 -148923.6349 300.0573 47.6432 75.3599 558196.1994 12.3416 12.2784 PRESSURE: 154800 310.007 42.9556 58.0965 42.955 -12.1246 -35.2696 58.096 -35.2684 154.134 GPRESSURE: 154800 337.157 61.4147 -67.9827 107.387 13.5752 37.6983 122.656 -71.0555 203.5 PRESSAVG: 154800 -41.5385 1.03993 -9.11713 1.03997 -39.4917 -39.8554 -9.11717 -39.8553 25.466 GPRESSAVG: 154800 -41.8293 2.23826 -10.5553 -0.847916 -39.4816 -37.9152 -7.35592 -40.711 25.6787 TIMING: 154800 CPU: 457.681, 0.0029475/step Wall: 457.681, 0.0029475/step, 3.967 hours remaining, 203.441406 MB of memory in use. ENERGY: 154800 755.3349 2094.3828 1937.3281 122.3161 -206550.0632 18171.9294 0.0000 0.0000 34491.9003 -148976.8718 301.2263 -183468.7720 -148889.6725 300.2695 150.6720 184.7441 557653.0670 -18.5214 -18.5441 PRESSURE: 155000 -421.775 21.3734 10.16 21.3739 -281.034 17.2374 10.1592 17.2371 -411.953 GPRESSURE: 155000 -369.261 91.9695 -108.846 -74.4123 -291.809 54.225 90.8822 -43.335 -353.144 PRESSAVG: 155000 69.1161 -21.7973 -66.8649 -21.7973 -26.9797 30.2572 -66.8649 30.2572 -44.6948 GPRESSAVG: 155000 70.3658 -22.0886 -63.596 -19.229 -27.0264 30.2432 -67.88 29.6386 -45.9483 TIMING: 155000 CPU: 458.271, 0.00294798/step Wall: 458.271, 0.00294798/step, 3.96748 hours remaining, 203.441406 MB of memory in use. ENERGY: 155000 802.8037 2075.4917 1974.0177 101.6439 -205467.5137 17441.9576 0.0000 0.0000 34287.3417 -148784.2574 299.4399 -183071.5991 -148688.0409 300.0667 -371.5873 -338.0712 559200.4825 -0.8528 -0.8697 PRESSURE: 155200 -59.2014 -87.5382 -15.7709 -87.5394 -25.2803 46.2934 -15.7715 46.2941 -51.8872 GPRESSURE: 155200 -85.5398 -25.9177 -55.4587 -155.159 31.2761 -22.712 -52.0287 22.83 10.1989 PRESSAVG: 155200 41.666 -59.8981 19.4888 -59.8981 83.5525 -4.11992 19.4888 -4.11988 -79.4745 GPRESSAVG: 155200 40.0056 -60.3442 18.215 -60.1109 84.7441 -3.69498 17.9536 -5.61986 -79.0321 TIMING: 155200 CPU: 458.86, 0.00294509/step Wall: 458.86, 0.00294509/step, 3.96344 hours remaining, 203.441406 MB of memory in use. ENERGY: 155200 726.3702 2054.9889 1959.6854 98.6972 -205672.9622 17498.6065 0.0000 0.0000 34321.1865 -149013.4275 299.7355 -183334.6141 -148915.0842 300.1724 -45.4563 -14.6883 558307.3190 15.2480 15.2392 PRESSURE: 155400 100.881 -35.0227 -172.11 -35.0226 12.8238 -19.1563 -172.11 -19.1564 -178.184 GPRESSURE: 155400 146.483 7.70942 -214.264 -86.4945 29.8929 -38.6752 -138.459 10.0469 -147.168 PRESSAVG: 155400 -38.6977 -28.9696 -21.6267 -28.9696 69.5471 3.14411 -21.6268 3.14401 4.55443 GPRESSAVG: 155400 -38.8383 -28.6112 -23.992 -30.5342 68.103 2.60352 -18.9724 5.02802 5.87721 TIMING: 155400 CPU: 459.451, 0.00295759/step Wall: 459.451, 0.00295759/step, 3.9801 hours remaining, 203.441406 MB of memory in use. ENERGY: 155400 757.9960 2115.0344 1960.9430 105.7298 -206130.9749 17817.7413 0.0000 0.0000 34385.8163 -148987.7142 300.2999 -183373.5305 -148894.6394 299.6564 -21.4930 9.7357 558012.2756 11.8013 11.7140 PRESSURE: 155600 151.308 -9.46832 21.1372 -9.46784 -136.989 -52.5904 21.1375 -52.5914 -133.414 GPRESSURE: 155600 142.302 -20.6195 -57.7428 -34.23 -117.668 -83.2393 15.2229 -54.6974 -52.13 PRESSAVG: 155600 -34.1708 -12.3867 -104.174 -12.3867 37.7028 31.6086 -104.174 31.6086 -48.0393 GPRESSAVG: 155600 -33.3578 -12.79 -100.553 -12.379 38.3146 33.1129 -104.13 29.7285 -49.6948 TIMING: 155600 CPU: 460.044, 0.00296537/step Wall: 460.044, 0.00296537/step, 3.9904 hours remaining, 203.441406 MB of memory in use. ENERGY: 155600 736.2222 2094.3238 1959.7438 108.3061 -206023.7393 17851.0715 0.0000 0.0000 34409.8141 -148864.2579 300.5095 -183274.0720 -148765.4758 299.9509 -39.6984 -9.1654 558825.0347 -14.8358 -14.9126 PRESSURE: 155800 -160.107 -48.7051 -66.5779 -48.7045 -61.4837 75.3906 -66.5784 75.3927 -224.765 GPRESSURE: 155800 -130.446 -19.299 -46.279 -52.6782 -22.1747 77.7201 -40.6445 57.5275 -211.745 PRESSAVG: 155800 19.4804 6.83127 -34.2241 6.83125 18.2974 28.7505 -34.2242 28.7505 -39.6337 GPRESSAVG: 155800 19.3667 6.33109 -33.7227 9.67614 18.2895 27.1942 -36.4452 29.9609 -39.9495 TIMING: 155800 CPU: 460.634, 0.00294913/step Wall: 460.634, 0.00294913/step, 3.96838 hours remaining, 203.441406 MB of memory in use. ENERGY: 155800 780.0412 2090.5524 1920.5776 118.3755 -205804.4301 17571.5328 0.0000 0.0000 34235.0694 -149088.2813 298.9834 -183323.3506 -148998.5829 299.5251 -148.7853 -121.4555 557804.6511 -0.6186 -0.7644 PRESSURE: 156000 -46.3216 122.292 -50.4382 122.292 -122.299 -0.182737 -50.4383 -0.182297 -393.31 GPRESSURE: 156000 -18.0417 140.874 -114.342 90.5507 -88.0149 31.5279 5.22282 48.8161 -353.155 PRESSAVG: 156000 -62.2188 8.35349 -7.71498 8.35347 56.9091 33.4429 -7.71506 33.443 -20.4215 GPRESSAVG: 156000 -62.4553 9.37011 -10.0999 6.08268 56.8022 33.801 -5.99698 34.3998 -19.5505 TIMING: 156000 CPU: 461.223, 0.0029456/step Wall: 461.223, 0.0029456/step, 3.96346 hours remaining, 203.441406 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: 156000 770.6336 2116.4804 1941.1726 119.7652 -205854.1534 17609.3544 0.0000 0.0000 34128.6506 -149168.0966 298.0540 -183296.7472 -149079.2102 299.1301 -187.3102 -153.0704 559065.3161 -8.5771 -8.4012 PRESSURE: 156200 -257.83 -27.5049 160.495 -27.5044 -77.6921 91.4035 160.495 91.4056 -179.815 GPRESSURE: 156200 -176.607 41.9063 158.716 -80.7717 -113.924 105.931 200.301 101.988 -126.346 PRESSAVG: 156200 25.4534 38.6046 35.4078 38.6045 -29.7662 30.2193 35.4078 30.2192 -27.9321 GPRESSAVG: 156200 24.9957 38.0026 37.4268 39.4616 -29.7758 31.1057 34.9187 28.3629 -26.7793 TIMING: 156200 CPU: 461.817, 0.00296555/step Wall: 461.817, 0.00296555/step, 3.99015 hours remaining, 203.441406 MB of memory in use. ENERGY: 156200 733.4912 2043.5843 1943.0991 108.8350 -205702.0823 17448.4104 0.0000 0.0000 34244.2154 -149180.4469 299.0633 -183424.6623 -149081.7460 299.0450 -171.7792 -138.9590 558764.4197 -10.7483 -10.5198 LDB: ============= START OF LOAD BALANCING ============== 465.242 LDB: ============== END OF LOAD BALANCING =============== 465.242 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 465.244 LDB: ============= START OF LOAD BALANCING ============== 465.539 LDB: Largest compute 4820 load 0.027001 is 22.9% of average load 0.117745 LDB: Average compute 0.001731 is 1.5% of average load 0.117745 LDB: TIME 465.541 LOAD: AVG 0.117745 MAX 0.195956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.344 MB LDB: TIME 465.541 LOAD: AVG 0.117745 MAX 0.195956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.543 MB LDB: TIME 465.542 LOAD: AVG 0.117745 MAX 0.195956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.543 MB LDB: ============== END OF LOAD BALANCING =============== 465.543 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 465.548 PRESSURE: 156400 -123.841 5.59638 83.0369 5.59716 36.2588 112.416 83.0373 112.417 -127.915 GPRESSURE: 156400 -72.3579 15.8108 109.569 27.1309 73.9309 124.007 2.69636 98.3014 -120.919 PRESSAVG: 156400 27.7182 41.5119 80.5222 41.5119 4.33822 3.15454 80.5222 3.15448 10.4357 GPRESSAVG: 156400 27.5264 39.8371 78.8688 42.3502 4.72704 2.46247 80.8733 3.70666 9.66305 TIMING: 156400 CPU: 462.418, 0.00300788/step Wall: 462.418, 0.00300788/step, 4.04693 hours remaining, 202.292969 MB of memory in use. ENERGY: 156400 805.8028 2058.5033 1964.9068 116.4440 -206207.8919 17897.8073 0.0000 0.0000 34200.4200 -149164.0077 298.6808 -183364.4277 -149070.9798 299.7974 -71.8324 -39.7821 558336.3581 14.1640 13.9722 PRESSURE: 156600 -117.559 -6.94693 226.409 -6.94775 -67.648 -92.1378 226.409 -92.1382 -151.107 GPRESSURE: 156600 -10.2115 59.3971 154.527 -25.5869 -101.824 -135.509 278.309 38.3773 -120.81 PRESSAVG: 156600 -10.8659 36.1503 34.6087 36.1503 -2.25837 7.47573 34.6087 7.47577 -5.15094 GPRESSAVG: 156600 -11.2547 37.6584 35.0888 36.6136 -2.64989 8.26939 34.9009 8.34572 -4.47253 TIMING: 156600 CPU: 463.004, 0.00292698/step Wall: 463.004, 0.00292698/step, 3.93793 hours remaining, 202.492188 MB of memory in use. ENERGY: 156600 731.7725 2046.1888 1969.1818 109.4324 -206153.9723 17733.3297 0.0000 0.0000 34122.8633 -149441.2036 298.0035 -183564.0670 -149343.0385 298.8867 -112.1047 -77.6154 558073.9366 -6.0917 -6.1257 PRESSURE: 156800 -10.272 20.4762 -128.287 20.4761 178.459 112.638 -128.288 112.638 -235.803 GPRESSURE: 156800 23.6488 -43.4333 -168.475 32.7343 191.554 113.751 -125.657 69.1449 -182.581 PRESSAVG: 156800 6.17594 -2.40982 25.3713 -2.40985 38.4956 0.00428271 25.3713 0.00425327 -27.1943 GPRESSAVG: 156800 7.36575 -1.41001 24.8423 -4.65771 38.4107 -2.09115 25.3262 1.17043 -28.8203 TIMING: 156800 CPU: 463.588, 0.00292238/step Wall: 463.588, 0.00292238/step, 3.93157 hours remaining, 202.492188 MB of memory in use. ENERGY: 156800 736.0254 2021.9078 1958.3489 118.4761 -205995.0906 17634.9535 0.0000 0.0000 34031.5107 -149493.8683 297.2056 -183525.3790 -149394.6076 298.1831 -22.5388 10.8740 556776.6073 5.8257 5.6521 PRESSURE: 157000 -58.1125 -140.94 -40.3639 -140.941 -200.232 -177.595 -40.3646 -177.595 -36.0055 GPRESSURE: 157000 -101.652 -222.521 -79.0546 -44.3928 -90.7961 -147.694 -45.3524 -184.068 4.75242 PRESSAVG: 157000 70.6558 28.8942 1.02562 28.8942 -25.4083 -14.141 1.02556 -14.1413 -97.1864 GPRESSAVG: 157000 69.6367 28.2529 1.64778 27.7128 -24.0275 -11.0533 0.0662246 -16.5996 -97.9056 TIMING: 157000 CPU: 464.172, 0.00291954/step Wall: 464.172, 0.00291954/step, 3.9276 hours remaining, 202.492188 MB of memory in use. ENERGY: 157000 753.9025 2099.6932 1965.8083 112.2359 -206230.5063 17743.6479 0.0000 0.0000 34121.7379 -149433.4805 297.9936 -183555.2185 -149339.0243 298.5377 -98.1165 -62.5653 557405.3068 -17.3130 -17.4321 PRESSURE: 157200 10.0423 2.79176 75.4331 2.79289 -210.859 -6.79057 75.4325 -6.79017 -408.637 GPRESSURE: 157200 43.9804 63.5185 114.078 -2.99478 -143.069 42.8591 107.576 28.3124 -406.765 PRESSAVG: 157200 91.192 45.4493 79.1666 45.4494 37.4102 13.3298 79.1665 13.3297 -81.669 GPRESSAVG: 157200 91.2099 45.4727 82.0276 47.346 35.5763 12.2797 77.8509 15.7309 -79.6507 TIMING: 157200 CPU: 464.761, 0.00294415/step Wall: 464.761, 0.00294415/step, 3.96054 hours remaining, 202.492188 MB of memory in use. ENERGY: 157200 744.9535 2102.2851 1961.0506 115.8193 -206276.7256 17583.0188 0.0000 0.0000 34230.3936 -149539.2047 298.9425 -183769.5983 -149438.8052 298.2463 -203.1511 -168.6177 556751.9669 15.6444 15.7118 PRESSURE: 157400 76.1335 155.511 54.5981 155.511 115.918 -26.5184 54.597 -26.5178 -66.0183 GPRESSURE: 157400 121.128 152.44 46.5184 159.698 174.668 11.4619 -47.3868 -48.0461 -76.0441 PRESSAVG: 157400 96.7939 33.6442 -15.0636 33.6442 -64.1673 66.0614 -15.0637 66.0615 -21.6913 GPRESSAVG: 157400 96.4026 32.0321 -14.7107 34.4113 -62.6942 64.8462 -14.2635 65.6897 -22.7667 TIMING: 157400 CPU: 465.352, 0.00295481/step Wall: 465.352, 0.00295481/step, 3.97471 hours remaining, 202.492188 MB of memory in use. ENERGY: 157400 734.8923 2104.9423 1940.5334 105.0029 -206445.2012 17936.9859 0.0000 0.0000 34256.0602 -149366.7842 299.1667 -183622.8444 -149274.4348 298.1336 42.0111 73.2507 558389.9048 3.6451 3.6473 PRESSURE: 157600 -40.2867 -93.3502 -98.5959 -93.3515 24.0618 -54.6907 -98.5962 -54.6898 -89.655 GPRESSURE: 157600 -48.8393 -86.208 -81.9138 -37.2767 47.4464 18.0268 -130.893 -79.3002 -19.8503 PRESSAVG: 157600 63.5826 6.16663 -84.2929 6.16666 -21.6371 32.9254 -84.2928 32.9253 -26.8204 GPRESSAVG: 157600 63.5812 7.23965 -87.6657 3.7563 -22.2949 33.2704 -81.9516 32.5095 -26.0209 TIMING: 157600 CPU: 465.943, 0.00295861/step Wall: 465.943, 0.00295861/step, 3.97966 hours remaining, 202.492188 MB of memory in use. ENERGY: 157600 740.4167 2132.7522 1949.3791 107.6866 -206490.9652 17858.2682 0.0000 0.0000 34415.5774 -149286.8850 300.5598 -183702.4624 -149188.6011 299.2383 -35.2933 -7.0811 557217.8127 5.0417 5.0885 PRESSURE: 157800 0.722058 -151.71 -153.375 -151.71 -281.677 -8.72535 -153.374 -8.72696 -341.442 GPRESSURE: 157800 11.7743 -203.575 -156.229 -182.652 -218.024 1.01524 -173.758 64.2349 -318.164 PRESSAVG: 157800 13.2549 -47.787 -87.1643 -47.787 -3.2545 -10.0773 -87.1644 -10.0772 -5.97102 GPRESSAVG: 157800 12.9319 -47.6509 -84.4351 -47.1913 -1.22831 -10.0078 -90.572 -11.128 -7.15865 TIMING: 157800 CPU: 466.532, 0.00294174/step Wall: 466.532, 0.00294174/step, 3.9568 hours remaining, 202.492188 MB of memory in use. ENERGY: 157800 784.1104 2142.1242 1955.8594 107.7359 -206433.6479 17742.3712 0.0000 0.0000 34404.4377 -149297.0090 300.4625 -183701.4468 -149193.0258 299.2696 -207.4658 -174.8047 558181.0792 1.3431 1.5150 PRESSURE: 158000 -152.606 -20.655 -106.625 -20.6554 89.2935 -87.4338 -106.624 -87.4341 -51.6071 GPRESSURE: 158000 -73.1759 19.1588 -53.7756 15.9222 124.532 -152.907 -76.387 4.30258 -74.1506 PRESSAVG: 158000 23.4403 -9.55676 -34.3721 -9.55683 -30.0949 -31.2744 -34.372 -31.2742 47.5417 GPRESSAVG: 158000 23.9763 -10.2024 -36.4097 -8.03995 -31.0675 -31.4862 -33.1779 -30.8242 47.336 TIMING: 158000 CPU: 467.121, 0.00294408/step Wall: 467.121, 0.00294408/step, 3.95978 hours remaining, 202.492188 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: 158000 721.9964 2119.5806 1950.9658 100.3619 -206077.8166 17749.7946 0.0000 0.0000 34238.2383 -149196.8791 299.0111 -183435.1174 -149101.5850 298.9606 -38.3067 -7.5982 556681.8012 13.6290 13.4149 PRESSURE: 158200 132.151 -188.264 83.8785 -188.263 92.6072 -50.7171 83.8791 -50.716 -182.731 GPRESSURE: 158200 176.839 -105.062 55.2071 -162.978 170.383 -0.345321 22.9678 -112.885 -188.138 PRESSAVG: 158200 27.9251 -19.5217 -12.3023 -19.5217 -30.0475 -23.5895 -12.3024 -23.5895 -21.1134 GPRESSAVG: 158200 29.6817 -19.0936 -11.0503 -21.8874 -31.6785 -22.625 -12.1454 -24.0114 -21.0329 TIMING: 158200 CPU: 467.714, 0.0029692/step Wall: 467.714, 0.0029692/step, 3.99341 hours remaining, 202.492188 MB of memory in use. ENERGY: 158200 790.0649 2113.0073 1951.2636 113.7895 -206119.5626 17984.2934 0.0000 0.0000 34090.7905 -149076.3533 297.7234 -183167.1438 -148981.0851 299.1580 14.0088 53.0279 557964.3661 -7.7453 -7.6766 PRESSURE: 158400 15.5916 67.6145 -206.658 67.615 145.733 118.287 -206.657 118.287 -84.2782 GPRESSURE: 158400 61.7352 0.145789 -118.66 110.24 138.035 161.152 -228.154 58.3839 -13.6413 PRESSAVG: 158400 -6.12215 12.5465 -24.607 12.5466 45.5956 44.8134 -24.607 44.8134 -11.1048 GPRESSAVG: 158400 -6.90715 13.1876 -23.8475 14.3837 45.5483 45.2577 -23.7662 44.2084 -10.2286 TIMING: 158400 CPU: 468.304, 0.0029474/step Wall: 468.304, 0.0029474/step, 3.96392 hours remaining, 202.492188 MB of memory in use. ENERGY: 158400 739.7801 2063.7229 1960.9664 120.8608 -206291.0276 17856.7358 0.0000 0.0000 34397.3596 -149151.6020 300.4007 -183548.9616 -149060.4497 299.5720 25.6822 62.0429 557729.4350 9.4562 9.4708 PRESSURE: 158600 93.6675 140.689 -61.2934 140.689 105.959 159.489 -61.2947 159.49 142.091 GPRESSURE: 158600 108.697 148.191 -32.7588 93.6535 134.66 97.6844 -89.8174 177.077 177.253 PRESSAVG: 158600 53.7676 18.9301 -14.7621 18.9301 3.10997 30.9662 -14.7623 30.9663 -52.2612 GPRESSAVG: 158600 53.1507 16.6243 -15.4888 19.52 4.32218 30.7154 -13.9537 31.1776 -52.4471 TIMING: 158600 CPU: 468.893, 0.00294621/step Wall: 468.893, 0.00294621/step, 3.96216 hours remaining, 202.492188 MB of memory in use. ENERGY: 158600 722.3668 2080.1683 1959.1067 111.1828 -206136.7226 17841.1935 0.0000 0.0000 34361.6943 -149061.0103 300.0892 -183422.7046 -148964.9175 299.5489 113.9058 140.2032 558318.5291 1.5388 1.6753 PRESSURE: 158800 361.28 22.5309 -40.5536 22.5294 108.077 -2.80577 -40.5529 -2.80561 -195.567 GPRESSURE: 158800 396.668 -32.6119 -97.6403 20.7184 112.687 56.3386 -12.7004 -76.3993 -143.211 PRESSAVG: 158800 -12.585 15.9516 -31.7429 15.9517 18.3408 4.40108 -31.7429 4.40108 9.6838 GPRESSAVG: 158800 -13.3179 16.9356 -31.2667 17.8881 17.9993 3.90419 -31.8798 4.20982 10.5797 TIMING: 158800 CPU: 469.481, 0.00293992/step Wall: 469.481, 0.00293992/step, 3.95354 hours remaining, 202.492188 MB of memory in use. ENERGY: 158800 711.1295 2164.3169 1937.0493 124.6185 -206306.0319 17989.7671 0.0000 0.0000 34273.8365 -149105.3141 299.3219 -183379.1506 -149018.4009 299.4610 91.2632 122.0478 557652.0807 5.1465 5.0870 PRESSURE: 159000 26.6147 116.029 0.563442 116.028 45.4851 86.8042 0.563681 86.8051 -93.8073 GPRESSURE: 159000 66.155 140.782 61.9999 104.716 47.7946 57.4215 16.2827 37.1412 -42.7148 PRESSAVG: 159000 17.4458 4.35645 14.7754 4.35636 45.3453 6.32199 14.7753 6.32205 -75.4423 GPRESSAVG: 159000 17.8959 3.57807 13.7918 1.8427 44.97 7.12135 12.9474 8.61246 -76.0176 TIMING: 159000 CPU: 470.073, 0.0029607/step Wall: 470.073, 0.0029607/step, 3.98132 hours remaining, 202.492188 MB of memory in use. ENERGY: 159000 740.2648 2136.3277 1950.3153 111.1230 -206098.0710 17905.5219 0.0000 0.0000 34138.0163 -149116.5019 298.1358 -183254.5182 -149025.0181 299.4356 -7.2358 23.7449 558587.1642 -4.2171 -4.3839 PRESSURE: 159200 348.716 -2.25798 114.275 -2.25811 -16.2678 68.1693 114.273 68.1688 -13.1383 GPRESSURE: 159200 354.642 -46.0028 142.628 -20.7867 2.19983 104.765 47.3327 82.8216 41.0346 PRESSAVG: 159200 12.7554 50.2212 7.08638 50.2212 11.1524 6.51809 7.08636 6.51809 -30.4244 GPRESSAVG: 159200 13.3605 51.145 6.30481 50.4105 11.6403 6.31546 9.12599 5.87571 -31.7952 TIMING: 159200 CPU: 470.661, 0.00293917/step Wall: 470.661, 0.00293917/step, 3.9522 hours remaining, 202.492188 MB of memory in use. ENERGY: 159200 745.6287 2121.2406 1989.2076 113.6907 -206569.5483 18062.3688 0.0000 0.0000 34408.1649 -149129.2469 300.4951 -183537.4118 -149032.1086 299.7127 106.4366 132.6256 557290.6344 -2.1722 -2.2648 PRESSURE: 159400 149.822 7.09834 4.66573 7.09781 -176.905 71.8664 4.66656 71.8667 -104.017 GPRESSURE: 159400 191.668 56.2425 3.24098 12.8143 -94.2953 118.058 0.357911 34.8564 -122.285 PRESSAVG: 159400 42.7821 -34.5414 -2.54817 -34.5414 -5.28536 49.2411 -2.54811 49.2412 -48.2654 GPRESSAVG: 159400 41.6506 -35.139 -0.230561 -36.114 -5.16324 49.0115 -4.91527 49.2128 -47.2562 TIMING: 159400 CPU: 471.252, 0.00295234/step Wall: 471.252, 0.00295234/step, 3.96975 hours remaining, 202.492188 MB of memory in use. ENERGY: 159400 743.6035 2073.8376 1953.2110 112.5815 -206529.9206 17965.6210 0.0000 0.0000 34437.7751 -149243.2908 300.7537 -183681.0660 -149139.5615 299.6951 -43.7001 -8.3039 557355.4468 -3.5895 -3.5896 PRESSURE: 159600 14.5828 72.0738 -13.7618 72.074 31.8826 190.639 -13.7619 190.64 -201.994 GPRESSURE: 159600 61.5147 137.536 -83.3738 -23.2472 64.5901 213.628 63.1495 155.899 -168.568 PRESSAVG: 159600 20.07 44.3651 -23.5173 44.3651 11.7839 19.6209 -23.5174 19.621 -83.411 GPRESSAVG: 159600 19.5941 45.9669 -24.0273 45.4317 11.8479 20.0661 -23.0155 18.9249 -82.9755 TIMING: 159600 CPU: 471.841, 0.00294692/step Wall: 471.841, 0.00294692/step, 3.9623 hours remaining, 202.492188 MB of memory in use. ENERGY: 159600 714.4573 2098.2860 1957.7323 121.3499 -206158.3041 17732.6887 0.0000 0.0000 34271.5989 -149262.1910 299.3024 -183533.7899 -149156.2190 299.0818 -51.8430 -14.1544 556557.2361 -17.1857 -17.1778 PRESSURE: 159800 99.8524 95.8659 38.3021 95.8658 -379.888 -12.567 38.3029 -12.569 -176.842 GPRESSURE: 159800 99.6743 182.538 33.6299 -2.49271 -308.413 -20.8086 60.2277 -16.9107 -154.27 PRESSAVG: 159800 65.6991 -40.5875 52.3503 -40.5875 -3.464 1.34998 52.3502 1.34989 -32.0089 GPRESSAVG: 159800 66.8387 -40.6821 50.9126 -42.3495 -4.86018 3.20643 52.2144 1.74075 -32.1414 TIMING: 159800 CPU: 472.431, 0.00294983/step Wall: 472.431, 0.00294983/step, 3.96604 hours remaining, 202.492188 MB of memory in use. ENERGY: 159800 749.3809 2109.8382 1939.4102 119.6968 -205837.4258 17580.3272 0.0000 0.0000 34172.6591 -149166.1135 298.4383 -183338.7725 -149065.1786 299.0973 -152.2925 -121.0028 556935.7698 10.0754 9.9457 PRESSURE: 160000 64.9754 -40.9216 96.8263 -40.9222 -41.1146 -84.7407 96.8249 -84.7392 106.825 GPRESSURE: 160000 87.3508 -26.4437 110.741 -43.1722 -13.6242 -61.1128 100.649 -143.751 153.931 PRESSAVG: 160000 18.8807 7.75778 -6.59678 7.75784 -7.84098 -23.0703 -6.59668 -23.0703 -9.41572 GPRESSAVG: 160000 18.7727 6.58466 -7.7142 10.1247 -7.37347 -22.9609 -7.14568 -24.1219 -9.86253 TIMING: 160000 CPU: 473.025, 0.00296931/step Wall: 473.025, 0.00296931/step, 3.99208 hours remaining, 202.492188 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: 160000 753.6974 2081.7477 1963.9306 120.9284 -206157.7712 17872.1196 0.0000 0.0000 34155.1732 -149210.1744 298.2856 -183365.3476 -149108.4444 299.4662 43.5618 75.8860 555803.9898 0.5413 0.5122 PRESSURE: 160200 -302.973 32.2188 -17.2712 32.2194 -255.867 23.7829 -17.2706 23.7836 -261.066 GPRESSURE: 160200 -266.988 -51.5908 52.9965 48.0982 -189.282 -26.9124 -81.5672 54.8994 -262.963 PRESSAVG: 160200 -43.7894 -24.9976 -31.6722 -24.9976 71.881 28.64 -31.6722 28.64 -0.858662 GPRESSAVG: 160200 -44.0993 -26.1229 -29.8818 -26.2541 70.9936 27.1624 -31.4931 28.8906 -0.257749 TIMING: 160200 CPU: 473.613, 0.00294228/step Wall: 473.613, 0.00294228/step, 3.95557 hours remaining, 202.492188 MB of memory in use. ENERGY: 160200 773.5312 2098.2127 1959.1175 113.2548 -205886.2953 17439.5245 0.0000 0.0000 34114.6999 -149387.9547 297.9322 -183502.6546 -149295.9413 298.7772 -273.3021 -239.7442 557401.0436 9.0776 8.8789 LDB: ============= START OF LOAD BALANCING ============== 477.039 LDB: ============== END OF LOAD BALANCING =============== 477.039 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 477.041 LDB: ============= START OF LOAD BALANCING ============== 477.336 LDB: Largest compute 4848 load 0.028550 is 24.2% of average load 0.117786 LDB: Average compute 0.001734 is 1.5% of average load 0.117786 LDB: TIME 477.339 LOAD: AVG 0.117786 MAX 0.196636 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.316 MB LDB: TIME 477.339 LOAD: AVG 0.117786 MAX 0.196636 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.316 MB LDB: TIME 477.339 LOAD: AVG 0.117786 MAX 0.196636 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.316 MB LDB: ============== END OF LOAD BALANCING =============== 477.341 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 477.345 PRESSURE: 160400 -111.748 -8.37529 -99.351 -8.37506 99.5576 29.5131 -99.3499 29.5138 -216.992 GPRESSURE: 160400 -150.265 -86.0565 -29.0286 -9.45856 179.204 -67.0105 -86.8942 1.35983 -163.389 PRESSAVG: 160400 3.94358 -8.36999 41.3891 -8.36995 29.0577 5.22645 41.3892 5.22642 -27.3545 GPRESSAVG: 160400 3.25483 -6.98628 40.0461 -8.19448 29.7382 3.81878 43.39 6.52073 -27.5538 TIMING: 160400 CPU: 474.216, 0.00301153/step Wall: 474.216, 0.00301153/step, 4.0485 hours remaining, 205.558594 MB of memory in use. ENERGY: 160400 726.1794 2149.7020 1975.6505 123.1818 -206298.1304 17862.7110 0.0000 0.0000 34238.8355 -149221.8703 299.0163 -183460.7058 -149125.6352 298.9573 -76.3941 -44.8169 557757.5152 1.8823 1.8130 PRESSURE: 160600 -114.437 133.767 -195.961 133.768 103.839 -143.64 -195.962 -143.64 -109.117 GPRESSURE: 160600 -38.6187 162.78 -161.664 90.8933 97.2248 -179.48 -242.807 -121.834 -83.6874 PRESSAVG: 160600 -15.4086 5.24319 -38.1984 5.24318 4.94743 -24.1182 -38.1984 -24.1183 8.8518 GPRESSAVG: 160600 -15.1175 4.78893 -35.8724 6.59126 4.69133 -24.5113 -39.4179 -21.9979 8.27543 TIMING: 160600 CPU: 474.806, 0.00295153/step Wall: 474.806, 0.00295153/step, 3.96767 hours remaining, 205.761719 MB of memory in use. ENERGY: 160600 728.7831 2119.1534 1950.2834 105.8162 -205895.0058 17582.7459 0.0000 0.0000 34151.2465 -149256.9773 298.2513 -183408.2238 -149160.6283 298.5920 -39.9051 -8.3605 557545.0769 -0.5365 -0.7169 PRESSURE: 160800 -206.896 74.2066 6.06997 74.2079 48.7844 39.9133 6.07108 39.915 170.996 GPRESSURE: 160800 -166.671 16.3162 -55.6192 106.882 77.6465 28.2036 57.2937 114.031 192.806 PRESSAVG: 160800 -41.7353 -5.26537 -46.1638 -5.26538 -14.924 -28.8567 -46.1637 -28.8566 66.1846 GPRESSAVG: 160800 -42.0518 -5.92895 -46.3615 -4.99926 -14.3327 -27.2744 -45.5042 -32.3116 65.2267 TIMING: 160800 CPU: 475.393, 0.00293783/step Wall: 475.393, 0.00293783/step, 3.9491 hours remaining, 205.761719 MB of memory in use. ENERGY: 160800 757.9137 2092.7435 1972.5994 107.2946 -206222.1940 17814.1887 0.0000 0.0000 34239.0923 -149238.3620 299.0185 -183477.4543 -149142.6618 299.0764 4.2949 34.5936 557376.2825 3.1751 2.9474 PRESSURE: 161000 -45.2022 -60.0379 -47.0054 -60.0391 217.838 22.2244 -47.0069 22.2248 -218.888 GPRESSURE: 161000 3.23594 -101.779 -163.509 -45.7732 214.19 94.0445 -50.6641 -19.3761 -155.159 PRESSAVG: 161000 -38.4284 14.685 25.0548 14.685 40.5944 -6.77523 25.0548 -6.77519 2.99584 GPRESSAVG: 161000 -38.3534 16.4561 24.3654 14.1073 39.4099 -6.04268 27.3986 -7.00437 3.73406 TIMING: 161000 CPU: 475.979, 0.00292928/step Wall: 475.979, 0.00292928/step, 3.93744 hours remaining, 206.019531 MB of memory in use. ENERGY: 161000 738.8785 2144.7131 1941.1287 107.3560 -206405.0331 18017.1221 0.0000 0.0000 34172.8059 -149283.0287 298.4396 -183455.8347 -149183.6897 298.8911 -15.4173 20.7557 559901.5190 1.7206 1.5968 PRESSURE: 161200 72.3466 75.2954 -39.4063 75.2953 -23.031 1.13827 -39.4071 1.13848 -75.7931 GPRESSURE: 161200 76.5059 109.879 -52.885 12.2419 -22.1426 -115.695 -37.2753 133.489 8.36397 PRESSAVG: 161200 24.5179 51.6594 -10.1777 51.6594 3.93959 16.3184 -10.1776 16.3185 -32.2076 GPRESSAVG: 161200 23.143 49.9814 -11.4746 49.5637 4.35646 14.7051 -10.7261 18.3201 -31.8593 TIMING: 161200 CPU: 476.56, 0.00290398/step Wall: 476.56, 0.00290398/step, 3.90327 hours remaining, 206.019531 MB of memory in use. ENERGY: 161200 720.9353 2108.1016 1943.3243 119.3387 -206377.4722 17995.1556 0.0000 0.0000 34227.4662 -149263.1505 298.9170 -183490.6168 -149159.7317 298.8308 -8.8258 20.9091 559053.8373 -1.2501 -1.4533 PRESSURE: 161400 -374.601 135.182 -259.609 135.182 -380.112 -99.5945 -259.608 -99.5954 -303.507 GPRESSURE: 161400 -338.08 116.25 -337.946 91.4756 -299.603 -96.3485 -147.302 -109.893 -322.348 PRESSAVG: 161400 -15.2833 9.93157 -38.2716 9.93162 -21.399 12.4995 -38.2717 12.4995 2.32243 GPRESSAVG: 161400 -14.3603 9.98348 -37.9803 10.0692 -21.4525 13.7725 -39.3233 8.26669 2.07296 TIMING: 161400 CPU: 477.145, 0.00292511/step Wall: 477.145, 0.00292512/step, 3.93152 hours remaining, 206.019531 MB of memory in use. ENERGY: 161400 763.4801 2043.5399 1984.2176 116.4169 -205930.1904 17547.0681 0.0000 0.0000 34226.9356 -149248.5322 298.9123 -183475.4678 -149162.5779 299.6236 -352.7398 -320.0100 560728.3640 -11.4533 -11.2466 PRESSURE: 161600 99.1708 7.45257 4.71956 7.45425 4.1358 -10.876 4.71767 -10.8765 -137.061 GPRESSURE: 161600 127.273 -0.285714 2.63314 6.25066 4.52914 -3.61749 -41.1575 -73.4932 -73.9328 PRESSAVG: 161600 36.7836 16.263 -4.88199 16.2631 -5.86746 -27.2067 -4.88205 -27.2066 -48.0134 GPRESSAVG: 161600 36.4905 15.7656 -4.2979 17.209 -5.87482 -25.6868 -3.77287 -26.8279 -47.8363 TIMING: 161600 CPU: 477.733, 0.00293907/step Wall: 477.733, 0.00293907/step, 3.95011 hours remaining, 206.019531 MB of memory in use. ENERGY: 161600 792.6811 2064.1614 1984.0002 105.5800 -206249.3727 17926.9695 0.0000 0.0000 34368.1617 -149007.8188 300.1457 -183375.9805 -148914.4681 299.2807 -11.2514 19.2898 560430.1550 -5.6991 -5.7402 PRESSURE: 161800 243.214 -0.72179 -108.421 -0.721146 285.315 26.7025 -108.421 26.7016 54.2623 GPRESSURE: 161800 313.955 19.3821 -122.533 -57.6763 283.991 115.132 0.21323 -5.57221 78.2911 PRESSAVG: 161800 -9.66299 16.1347 7.70728 16.1347 22.8281 40.094 7.70728 40.094 3.7681 GPRESSAVG: 161800 -9.06006 17.2197 9.63939 14.8168 22.6998 41.6199 5.1761 39.3383 3.57156 TIMING: 161800 CPU: 478.327, 0.0029718/step Wall: 478.327, 0.0029718/step, 3.99394 hours remaining, 206.019531 MB of memory in use. ENERGY: 161800 710.6687 2071.5923 1947.3746 99.2073 -206170.8206 18114.2888 0.0000 0.0000 34271.4093 -148956.2796 299.3007 -183227.6888 -148864.8360 299.7942 194.2637 225.4125 559380.9531 5.6444 5.7371 PRESSURE: 162000 -17.3525 -22.6407 36.7384 -22.6401 -38.7277 162.26 36.7399 162.261 -0.172836 GPRESSURE: 162000 32.0144 -2.76981 -63.8381 -105.902 27.5078 79.1424 38.7608 167.84 -26.4252 PRESSAVG: 162000 -38.869 -36.5472 -5.20772 -36.5472 78.9009 63.1949 -5.20779 63.1949 -5.56959 GPRESSAVG: 162000 -38.4504 -36.3199 -6.53939 -34.737 78.8574 62.0078 -3.8903 64.5173 -5.53568 TIMING: 162000 CPU: 478.918, 0.00295467/step Wall: 478.918, 0.00295467/step, 3.97075 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: 162000 719.0792 2083.0135 1951.8532 119.5356 -205851.4984 17827.4735 0.0000 0.0000 34264.2776 -148886.2658 299.2385 -183150.5434 -148795.1700 299.7915 -18.7510 11.0323 560804.8882 11.4874 11.6238 PRESSURE: 162200 151.252 44.3902 48.5469 44.3901 -84.7811 11.7967 48.5455 11.7973 168.154 GPRESSURE: 162200 187.215 -7.42919 60.4074 113.714 -10.4004 102.041 0.295738 -67.697 160.813 PRESSAVG: 162200 -10.8365 -18.5269 -7.26931 -18.5268 -92.6038 37.7745 -7.26932 37.7745 30.0587 GPRESSAVG: 162200 -11.8496 -20.3867 -7.4265 -16.8894 -93.3431 37.5293 -6.27336 37.9729 31.4104 TIMING: 162200 CPU: 479.511, 0.00296297/step Wall: 479.511, 0.00296298/step, 3.98175 hours remaining, 206.019531 MB of memory in use. ENERGY: 162200 747.2111 2074.9161 1964.0596 117.5421 -206055.2918 18029.4665 0.0000 0.0000 34396.2093 -148725.8871 300.3907 -183122.0964 -148641.1074 299.8759 78.2082 112.5428 558857.7348 -24.4605 -24.5941 PRESSURE: 162400 85.6467 -26.5741 102.924 -26.573 249.984 -97.349 102.923 -97.3496 -22.2897 GPRESSURE: 162400 138.54 41.9612 92.6744 -42.5355 230.949 -38.3201 59.0873 -100.845 47.186 PRESSAVG: 162400 70.6924 -34.9031 -21.092 -34.9031 -18.0471 -8.59992 -21.092 -8.59983 -18.6747 GPRESSAVG: 162400 71.5475 -31.3436 -21.1817 -36.3182 -17.7882 -9.40797 -22.7023 -7.37203 -19.806 TIMING: 162400 CPU: 480.104, 0.00296673/step Wall: 480.104, 0.00296673/step, 3.98663 hours remaining, 206.019531 MB of memory in use. ENERGY: 162400 737.2518 2152.5590 1942.0293 114.3908 -205939.8090 18000.9840 0.0000 0.0000 34305.0284 -148687.5658 299.5943 -182992.5942 -148587.9955 300.1278 104.4470 138.8918 559010.4855 11.3236 11.3178 PRESSURE: 162600 25.7771 89.0875 90.9652 89.0877 45.6486 7.69418 90.9646 7.69315 -283.431 GPRESSURE: 162600 45.8951 76.284 60.4066 77.4181 40.763 17.2693 102.372 -9.47864 -206.459 PRESSAVG: 162600 -20.0558 73.8242 -11.5512 73.8242 -4.28891 -1.42018 -11.5513 -1.42028 19.0949 GPRESSAVG: 162600 -18.9147 72.6462 -10.4111 75.4173 -4.5883 -2.65234 -12.1398 -0.762928 18.1669 TIMING: 162600 CPU: 480.699, 0.00297285/step Wall: 480.699, 0.00297285/step, 3.99469 hours remaining, 206.019531 MB of memory in use. ENERGY: 162600 704.8057 2085.3114 1987.4968 97.4848 -205852.8952 17705.7663 0.0000 0.0000 34399.8555 -148872.1746 300.4225 -183272.0302 -148777.7105 300.2937 -70.6685 -39.9336 560119.5648 -1.7499 -1.7787 PRESSURE: 162800 115.504 -121.968 -172.331 -121.967 3.42259 121.677 -172.331 121.678 109.746 GPRESSURE: 162800 117.84 -135.408 -96.6897 -203.918 110.572 75.3883 -173.721 151.892 90.3684 PRESSAVG: 162800 -64.5853 6.49439 9.25643 6.49448 20.3404 -5.6904 9.2564 -5.69041 31.2675 GPRESSAVG: 162800 -66.2429 6.02129 7.95672 3.20214 21.3743 -5.62397 12.5102 -5.27906 31.1213 TIMING: 162800 CPU: 481.29, 0.00295699/step Wall: 481.29, 0.00295699/step, 3.97321 hours remaining, 206.019531 MB of memory in use. ENERGY: 162800 762.1381 2062.0482 1962.7436 108.3609 -206351.2331 18067.6118 0.0000 0.0000 34544.7193 -148843.6114 301.6876 -183388.3306 -148745.6511 299.9483 76.2243 106.2602 558197.4938 -4.3258 -4.5824 PRESSURE: 163000 -126.761 37.0773 102.353 37.0765 -2.74749 95.9739 102.354 95.9757 77.1735 GPRESSURE: 163000 -39.2626 46.0519 134.018 89.1903 14.7231 -10.5486 75.9466 129.661 66.028 PRESSAVG: 163000 19.7615 3.71378 0.116792 3.71385 10.7194 -17.3113 0.116904 -17.3113 -27.4489 GPRESSAVG: 163000 20.5083 2.03206 0.476822 5.80336 9.57359 -15.9961 -3.19455 -19.9042 -27.147 TIMING: 163000 CPU: 481.88, 0.00295184/step Wall: 481.88, 0.00295184/step, 3.96612 hours remaining, 206.019531 MB of memory in use. ENERGY: 163000 729.8561 2039.2111 1944.1006 111.0511 -205614.2572 17669.4751 0.0000 0.0000 34139.6812 -148980.8821 298.1503 -183120.5633 -148887.8606 299.7346 -17.4449 13.8295 559832.0048 1.0107 0.9783 PRESSURE: 163200 5.31487 -170.529 38.0138 -170.529 -110.35 -60.2527 38.0151 -60.2528 -204.897 GPRESSURE: 163200 32.3147 -246.071 34.0954 -193.3 -61.893 -104.46 17.0798 -33.4612 -180.62 PRESSAVG: 163200 0.122361 -10.2267 46.1965 -10.2267 54.1639 -52.8184 46.1966 -52.8184 -54.7056 GPRESSAVG: 163200 -0.541337 -8.6975 46.9415 -11.0139 55.5218 -52.6705 47.2626 -53.3847 -55.5875 TIMING: 163200 CPU: 482.473, 0.00296502/step Wall: 482.473, 0.00296502/step, 3.98367 hours remaining, 206.156250 MB of memory in use. ENERGY: 163200 755.4131 2101.9758 1946.5752 116.7783 -205985.5754 17712.2685 0.0000 0.0000 34270.1241 -149082.4404 299.2895 -183352.5646 -148989.6076 299.6327 -103.3107 -70.0661 558682.5066 -0.1398 -0.2023 PRESSURE: 163400 79.9709 -35.6262 -85.5476 -35.627 36.531 -66.4856 -85.5475 -66.4851 37.9944 GPRESSURE: 163400 143.082 -62.1434 -98.0273 -91.0798 81.7343 -78.5032 -99.9425 -115.912 25.0511 PRESSAVG: 163400 34.6953 -37.4289 22.9146 -37.4289 -10.9183 -33.348 22.9147 -33.3481 -28.6525 GPRESSAVG: 163400 35.1661 -38.3703 22.0903 -35.7007 -11.3058 -33.9864 23.812 -31.2001 -28.4369 TIMING: 163400 CPU: 483.067, 0.00296884/step Wall: 483.067, 0.00296884/step, 3.98864 hours remaining, 206.156250 MB of memory in use. ENERGY: 163400 708.5671 2067.2194 1951.2783 119.7398 -206430.3624 17950.3459 0.0000 0.0000 34493.7455 -149139.4664 301.2425 -183633.2119 -149036.5162 300.4123 51.4987 83.2893 558601.4945 -1.6252 -1.5255 PRESSURE: 163600 -235.294 -41.6152 -120.71 -41.6167 -201.619 -13.2828 -120.71 -13.2835 -243.206 GPRESSURE: 163600 -255.911 -48.8943 -125.43 2.29428 -129.99 -25.277 -70.9005 -20.2749 -211.721 PRESSAVG: 163600 2.96465 -5.18443 9.31907 -5.18451 57.8071 -41.0858 9.31898 -41.0858 -17.8566 GPRESSAVG: 163600 2.54175 -6.09262 7.13148 -4.95253 56.8881 -40.67 10.4457 -41.9083 -16.5295 TIMING: 163600 CPU: 483.662, 0.00297364/step Wall: 483.662, 0.00297364/step, 3.99492 hours remaining, 206.156250 MB of memory in use. ENERGY: 163600 770.4989 2047.8104 1952.5205 106.9772 -205574.6548 17486.5248 0.0000 0.0000 33898.7894 -149311.5335 296.0466 -183210.3229 -149217.9967 298.8281 -226.7060 -199.2073 558304.7114 14.3051 14.3001 PRESSURE: 163800 -21.5723 34.4135 17.6646 34.4148 -180.719 97.5744 17.6632 97.5738 -174.065 GPRESSURE: 163800 -19.4728 111.149 -20.8607 -14.29 -117.282 90.0148 115.49 26.6595 -145.517 PRESSAVG: 163800 -66.6775 -34.5311 45.4649 -34.5311 35.3997 -16.0765 45.4648 -16.0765 41.2688 GPRESSAVG: 163800 -66.0192 -33.0675 47.2763 -36.1131 36.0331 -16.4677 44.311 -17.0521 40.1284 TIMING: 163800 CPU: 484.254, 0.00295853/step Wall: 484.254, 0.00295853/step, 3.97445 hours remaining, 206.156250 MB of memory in use. ENERGY: 163800 740.6417 2046.6907 1968.9050 114.6310 -206170.5943 17678.4810 0.0000 0.0000 34092.8469 -149528.3981 297.7413 -183621.2451 -149423.0163 298.8401 -125.4520 -94.0903 557880.4217 3.3303 3.3808 PRESSURE: 164000 -257.806 5.88102 -22.4276 5.88107 116.951 172.662 -22.4281 172.662 52.9832 GPRESSURE: 164000 -256.131 -12.9743 97.8654 -16.9098 148.03 198.704 -118.11 153.338 116.8 PRESSAVG: 164000 -12.9446 4.23292 24.452 4.23286 23.4216 38.5597 24.4519 38.5596 7.18339 GPRESSAVG: 164000 -12.6956 4.00683 23.2457 5.33204 22.1774 38.7126 24.6259 39.7358 8.18093 TIMING: 164000 CPU: 484.846, 0.00295953/step Wall: 484.846, 0.00295953/step, 3.97563 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: 164000 709.5689 2094.1297 1944.4881 118.6361 -206052.8278 17626.7566 0.0000 0.0000 33975.1158 -149584.1326 296.7131 -183559.2485 -149489.6648 298.1429 -29.2907 2.8996 555886.1416 5.8868 5.8876 PRESSURE: 164200 109.263 -26.5793 -91.1105 -26.5803 224.664 101.677 -91.1107 101.676 28.3452 GPRESSURE: 164200 100.249 -102.022 -83.4389 116.952 268.293 63.8429 -64.6382 94.8548 92.7054 PRESSAVG: 164200 -63.7572 9.39819 34.6229 9.39823 57.1372 21.36 34.6229 21.36 40.9666 GPRESSAVG: 164200 -64.5332 10.4261 36.5592 9.21331 57.4132 20.1634 34.3694 20.7538 41.4693 TIMING: 164200 CPU: 485.439, 0.00296481/step Wall: 485.439, 0.00296481/step, 3.98256 hours remaining, 206.156250 MB of memory in use. ENERGY: 164200 743.8757 2089.3131 1937.8199 111.0465 -206454.4172 17995.9531 0.0000 0.0000 33900.2493 -149676.1596 296.0593 -183576.4089 -149588.1914 297.4342 120.7574 153.7490 556629.3645 11.4489 11.4498 LDB: ============= START OF LOAD BALANCING ============== 488.865 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 488.866 LDB: =============== DONE WITH MIGRATION ================ 488.867 LDB: ============= START OF LOAD BALANCING ============== 489.164 LDB: Largest compute 4848 load 0.028605 is 24.3% of average load 0.117689 LDB: Average compute 0.001730 is 1.5% of average load 0.117689 LDB: TIME 489.166 LOAD: AVG 0.117689 MAX 0.198081 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.031 MB LDB: TIME 489.167 LOAD: AVG 0.117689 MAX 0.198081 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.031 MB LDB: TIME 489.167 LOAD: AVG 0.117689 MAX 0.198081 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.031 MB LDB: ============== END OF LOAD BALANCING =============== 489.169 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 489.173 PRESSURE: 164400 82.2599 60.1659 -51.4846 60.1665 -88.2593 -78.0367 -51.4848 -78.0376 -211.207 GPRESSURE: 164400 57.0584 83.2926 -74.5838 118.195 -55.5816 -19.4144 -58.7298 -85.4448 -122.95 PRESSAVG: 164400 -34.3016 -58.6117 -2.93996 -58.6118 8.9328 48.2937 -2.93988 48.2938 2.41579 GPRESSAVG: 164400 -34.6309 -58.0822 -1.85057 -58.8332 8.49928 47.1729 -5.1746 49.9827 1.904 TIMING: 164400 CPU: 486.043, 0.00302347/step Wall: 486.043, 0.00302347/step, 4.06119 hours remaining, 202.996094 MB of memory in use. ENERGY: 164400 705.3855 2059.4001 1954.2009 121.8367 -206475.5258 17733.8168 0.0000 0.0000 34225.2833 -149675.6025 298.8979 -183900.8858 -149574.2869 297.7198 -72.4020 -40.4911 557332.1457 -7.6510 -8.0759 PRESSURE: 164600 -298.409 -57.4402 -93.3084 -57.4403 101.233 -22.5241 -93.309 -22.5237 30.8691 GPRESSURE: 164600 -225.378 -47.1456 -40.6455 -37.7394 129.309 -4.22136 -95.9653 -53.4409 28.55 PRESSAVG: 164600 -19.957 -43.9573 34.7957 -43.9573 4.72453 15.2424 34.7957 15.2423 30.5815 GPRESSAVG: 164600 -19.7882 -46.227 34.8216 -43.4355 5.69368 16.7696 36.3851 16.4996 28.9105 TIMING: 164600 CPU: 486.629, 0.00293028/step Wall: 486.629, 0.00293028/step, 3.93586 hours remaining, 202.996094 MB of memory in use. ENERGY: 164600 720.4617 2081.2589 1941.0494 114.6165 -206586.4099 17773.1123 0.0000 0.0000 34320.9396 -149634.9714 299.7333 -183955.9110 -149544.0547 297.9000 -55.4356 -22.5064 556566.8085 5.1163 4.9387 PRESSURE: 164800 -63.0269 -116.984 74.8621 -116.984 100.372 -38.0286 74.8627 -38.0289 -86.2445 GPRESSURE: 164800 -91.8965 42.7661 96.6084 -72.7373 222.151 -19.9008 91.2638 -48.6563 -80.7473 PRESSAVG: 164800 -67.6412 12.0771 59.3344 12.0772 96.9642 -0.271247 59.3344 -0.271191 -78.642 GPRESSAVG: 164800 -68.7143 13.869 59.875 11.0942 96.4716 1.46836 59.7704 -4.11259 -77.1736 TIMING: 164800 CPU: 487.214, 0.00292607/step Wall: 487.214, 0.00292607/step, 3.93004 hours remaining, 202.996094 MB of memory in use. ENERGY: 164800 738.8067 2128.7722 1954.6846 111.3063 -206628.4182 17965.3489 0.0000 0.0000 34201.6934 -149527.8060 298.6919 -183729.4994 -149430.7021 298.0828 -16.2999 16.5025 556172.6482 -16.4397 -16.4721 PRESSURE: 165000 -18.0943 114.973 21.1531 114.975 114.031 17.3727 21.1516 17.3722 398.995 GPRESSURE: 165000 -7.92163 59.617 -74.2904 22.624 203.399 -21.5814 33.5612 57.6657 403.713 PRESSAVG: 165000 -46.8649 -42.1672 -6.48129 -42.1673 11.904 51.8936 -6.48124 51.8936 51.2763 GPRESSAVG: 165000 -46.0094 -40.3241 -8.58508 -42.4792 11.834 50.1656 -5.31095 52.163 50.7362 TIMING: 165000 CPU: 487.8, 0.00292543/step Wall: 487.8, 0.00292543/step, 3.92902 hours remaining, 202.996094 MB of memory in use. ENERGY: 165000 712.1313 2054.3387 1921.4590 123.2978 -206341.7863 17904.4113 0.0000 0.0000 34144.9286 -149481.2196 298.1962 -183626.1483 -149379.0194 297.7034 164.9769 199.7302 556109.2791 5.4385 5.5203 PRESSURE: 165200 -142.867 -23.481 -98.5223 -23.4811 105.357 8.09252 -98.5234 8.09235 229.627 GPRESSURE: 165200 -133.101 7.32398 -95.2062 -34.4281 161.743 -25.7902 -27.6084 10.5413 260.428 PRESSAVG: 165200 -57.8038 21.4358 23.2742 21.4357 -12.8381 -11.6565 23.2743 -11.6565 56.4874 GPRESSAVG: 165200 -58.0516 19.1937 23.2575 23.66 -12.68 -12.3701 22.4008 -10.0874 56.3739 TIMING: 165200 CPU: 488.384, 0.00292126/step Wall: 488.384, 0.00292126/step, 3.92325 hours remaining, 202.996094 MB of memory in use. ENERGY: 165200 726.2978 2041.7616 1934.7029 114.6958 -206570.7663 18000.4269 0.0000 0.0000 34229.7669 -149523.1145 298.9371 -183752.8814 -149427.7539 298.1369 64.0393 96.3567 558029.6331 -4.7182 -4.7859 PRESSURE: 165400 -131.302 38.6144 -2.35859 38.6147 30.3129 -93.65 -2.35856 -93.6505 -98.4215 GPRESSURE: 165400 -85.3651 -4.23334 22.0734 7.77772 99.6683 -102.38 -70.2395 -193.253 -121.902 PRESSAVG: 165400 -41.884 5.03883 -108.392 5.03885 17.8121 2.60241 -108.392 2.60251 71.6117 GPRESSAVG: 165400 -41.9993 6.76064 -106.496 3.67294 18.8946 3.25624 -109.005 1.50153 70.0105 TIMING: 165400 CPU: 488.968, 0.00292187/step Wall: 488.968, 0.00292187/step, 3.92391 hours remaining, 202.996094 MB of memory in use. ENERGY: 165400 717.9938 2048.6174 1929.1317 112.0438 -206064.4565 17619.6913 0.0000 0.0000 34137.7987 -149499.1798 298.1339 -183636.9785 -149395.4712 298.6266 -66.4700 -35.8663 556088.6167 15.8466 15.6353 PRESSURE: 165600 -172.336 -102.156 -75.1232 -102.158 130.84 -47.281 -75.1222 -47.2784 -61.5667 GPRESSURE: 165600 -119.773 -150.036 -39.3429 -87.2536 159.095 -88.1031 -84.0574 -59.867 -22.0949 PRESSAVG: 165600 -36.6615 -27.532 26.4908 -27.532 34.3046 -5.89711 26.4909 -5.89708 -24.1903 GPRESSAVG: 165600 -36.6554 -27.3086 25.8854 -29.1143 34.0175 -6.81237 26.2261 -5.06821 -23.5742 TIMING: 165600 CPU: 489.562, 0.00296675/step Wall: 489.562, 0.00296675/step, 3.98401 hours remaining, 202.996094 MB of memory in use. ENERGY: 165600 706.2700 2090.4262 1959.1950 112.6017 -206472.5601 17747.9067 0.0000 0.0000 34239.6161 -149616.5443 299.0231 -183856.1604 -149519.7365 298.2760 -34.3543 5.7424 555582.6564 -8.8491 -8.7373 PRESSURE: 165800 -14.0501 77.3503 -92.517 77.3503 107.779 -104.327 -92.517 -104.326 231.992 GPRESSURE: 165800 77.2295 69.4879 -98.014 65.3156 156.837 -131.491 -53.3233 -82.19 180.998 PRESSAVG: 165800 -77.315 -20.4915 -5.18458 -20.4915 85.7604 11.56 -5.1846 11.56 -45.3859 GPRESSAVG: 165800 -76.4543 -21.7055 -6.05737 -19.6676 85.2144 14.1288 -3.69718 10.8771 -45.9707 TIMING: 165800 CPU: 490.148, 0.00293119/step Wall: 490.148, 0.00293119/step, 3.9361 hours remaining, 202.996094 MB of memory in use. ENERGY: 165800 700.2876 2107.0508 1943.8827 121.5185 -206355.9138 17821.6844 0.0000 0.0000 34063.8909 -149597.5988 297.4884 -183661.4898 -149502.3815 298.3057 108.5737 138.3546 555864.7208 -12.3135 -12.4035 PRESSURE: 166000 -136.054 57.4175 55.6128 57.4173 108.517 -1.79074 55.6128 -1.79171 110.708 GPRESSURE: 166000 -68.9069 -34.3301 37.0249 79.9018 167.356 -9.94606 51.4812 32.4783 79.3829 PRESSAVG: 166000 -57.2313 4.81653 -92.6306 4.81651 -12.8433 21.4344 -92.6306 21.4344 64.1347 GPRESSAVG: 166000 -58.4961 3.59268 -92.2333 5.41244 -12.4164 19.2728 -94.0824 22.1972 64.42 TIMING: 166000 CPU: 490.734, 0.00293095/step Wall: 490.734, 0.00293095/step, 3.93562 hours remaining, 202.996094 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: 166000 758.2390 2091.9010 1939.0825 112.6166 -206501.1916 18049.0783 0.0000 0.0000 34015.0209 -149535.2532 297.0616 -183550.2741 -149443.3902 298.6360 27.7237 59.2772 556889.6796 -1.9800 -2.1642 PRESSURE: 166200 -27.9297 14.4277 84.0207 14.4283 -119.578 -32.0723 84.0201 -32.072 144.399 GPRESSURE: 166200 24.9183 14.683 66.8817 -61.4294 -111.556 5.87006 60.2303 -60.2382 185.393 PRESSAVG: 166200 36.8365 -4.56135 58.9232 -4.56134 -41.0945 16.1596 58.923 16.1595 6.05748 GPRESSAVG: 166200 37.1799 -4.62452 58.9053 -5.15147 -40.8703 17.1937 58.7439 17.7 5.35066 TIMING: 166200 CPU: 491.321, 0.00293749/step Wall: 491.321, 0.00293749/step, 3.94423 hours remaining, 202.996094 MB of memory in use. ENERGY: 166200 777.3603 2092.5046 1978.4187 113.5260 -206346.8955 17832.8462 0.0000 0.0000 34154.0355 -149398.2042 298.2757 -183552.2397 -149302.1360 298.2143 -1.0364 32.9184 557153.0435 0.5999 0.5534 PRESSURE: 166400 -103.098 14.456 -140.573 14.4547 -197.969 50.1851 -140.572 50.1856 110.496 GPRESSURE: 166400 -60.9209 82.8352 -231.574 -141.533 -236.159 67.5067 -17.9809 -9.70653 204.411 PRESSAVG: 166400 26.4507 50.6209 7.74726 50.6209 -13.7923 53.5911 7.74729 53.5912 12.6728 GPRESSAVG: 166400 24.2799 51.4506 5.53206 49.7744 -14.4011 53.9029 10.8919 51.8069 15.1076 TIMING: 166400 CPU: 491.909, 0.00293907/step Wall: 491.909, 0.00293907/step, 3.94619 hours remaining, 202.996094 MB of memory in use. ENERGY: 166400 783.7564 2022.4752 1954.9950 113.3789 -206094.3431 17648.5086 0.0000 0.0000 34265.2465 -149305.9826 299.2469 -183571.2291 -149206.3795 298.6762 -63.5235 -30.8895 556870.9318 8.4438 8.3288 PRESSURE: 166600 -61.5057 114.605 -115.883 114.605 160.119 155.845 -115.883 155.846 129.094 GPRESSURE: 166600 -52.2571 27.1129 -161.1 171.831 212.375 59.1028 -188.684 118.935 173.666 PRESSAVG: 166600 -37.3574 45.2521 13.4495 45.2522 -15.0082 8.31263 13.4495 8.31253 35.828 GPRESSAVG: 166600 -34.9281 45.241 15.1592 47.0336 -15.0384 6.8544 10.5131 8.81876 33.8898 TIMING: 166600 CPU: 492.499, 0.00294719/step Wall: 492.499, 0.00294719/step, 3.95693 hours remaining, 202.996094 MB of memory in use. ENERGY: 166600 736.7359 2097.6759 1968.4489 117.0234 -206251.2211 17726.8919 0.0000 0.0000 34232.8246 -149371.6206 298.9638 -183604.4452 -149273.7627 299.3586 75.9024 111.2612 556721.2788 -5.5125 -5.3589 PRESSURE: 166800 -241.298 175.216 -121.92 175.216 -251.056 49.209 -121.921 49.2096 -107.065 GPRESSURE: 166800 -219.091 149.175 -151.332 206.62 -256.586 18.3017 -142.25 79.6241 -20.9193 PRESSAVG: 166800 -0.791464 37.0863 -8.71547 37.0863 -10.5728 35.1627 -8.71543 35.1627 6.45758 GPRESSAVG: 166800 -0.854475 37.7925 -10.1376 37.5351 -10.1093 37.1616 -8.08664 34.5852 6.34236 TIMING: 166800 CPU: 493.093, 0.00296935/step Wall: 493.093, 0.00296935/step, 3.98652 hours remaining, 202.996094 MB of memory in use. ENERGY: 166800 784.4354 2098.7669 1960.7053 115.0284 -205899.9938 17609.7756 0.0000 0.0000 33938.3346 -149392.9474 296.3919 -183331.2820 -149301.5608 298.9287 -199.8065 -165.5321 557731.7771 -1.6356 -1.5405 PRESSURE: 167000 62.3902 -40.0553 -177.977 -40.0545 -39.8662 140.025 -177.978 140.027 59.6462 GPRESSURE: 167000 115.791 14.0273 -166.074 -58.3053 -35.8141 46.3171 -140.782 201.481 85.1847 PRESSAVG: 167000 -38.7107 3.49129 -38.22 3.49134 49.7464 32.4946 -38.22 32.4946 -15.6522 GPRESSAVG: 167000 -38.7355 3.19816 -37.1178 1.3507 50.0217 30.9148 -38.4453 32.7981 -15.8697 TIMING: 167000 CPU: 493.683, 0.00295029/step Wall: 493.683, 0.00295029/step, 3.96076 hours remaining, 202.996094 MB of memory in use. ENERGY: 167000 742.4170 2108.8073 1925.7891 117.4567 -206336.9805 17961.9933 0.0000 0.0000 34121.3914 -149359.1257 297.9906 -183480.5171 -149262.0416 298.2338 27.3900 55.0539 559042.3194 -1.5389 -1.5278 PRESSURE: 167200 136.552 118.975 -76.0343 118.975 -87.6619 -94.9033 -76.0348 -94.9047 -232.698 GPRESSURE: 167200 161.2 84.1066 17.6821 124.733 -44.1189 -97.304 -128.347 -145.412 -191.491 PRESSAVG: 167200 -30.0478 -2.68175 -46.6869 -2.68164 66.9408 31.4499 -46.6869 31.4497 -8.66746 GPRESSAVG: 167200 -31.4731 -2.65854 -44.873 -3.88869 65.3982 32.7958 -48.3507 29.6323 -6.0937 TIMING: 167200 CPU: 494.273, 0.00295372/step Wall: 494.273, 0.00295372/step, 3.96521 hours remaining, 202.996094 MB of memory in use. ENERGY: 167200 697.3524 2070.0310 1949.5285 140.9250 -206246.1443 17764.9369 0.0000 0.0000 34227.7346 -149395.6360 298.9193 -183623.3706 -149296.9000 298.9417 -61.2694 -24.8035 558213.5447 9.4085 9.2771 PRESSURE: 167400 -239.205 40.961 59.6843 40.9608 -25.3079 -165.766 59.684 -165.766 -176.054 GPRESSURE: 167400 -168.223 77.3301 70.7107 -74.2082 -12.4088 -185.958 72.19 -117.511 -165.384 PRESSAVG: 167400 1.2114 10.086 -7.87952 10.0861 26.5555 24.5253 -7.8795 24.5252 -22.704 GPRESSAVG: 167400 1.56741 9.99328 -9.0982 11.932 28.114 23.7308 -5.21975 27.441 -24.6856 TIMING: 167400 CPU: 494.862, 0.00294244/step Wall: 494.862, 0.00294244/step, 3.9499 hours remaining, 202.996094 MB of memory in use. ENERGY: 167400 740.7824 2077.4739 1962.1180 118.5903 -206215.1456 17725.6626 0.0000 0.0000 34149.7067 -149440.8117 298.2379 -183590.5184 -149342.6351 299.0236 -146.8557 -115.3387 558670.5032 1.6876 1.6652 PRESSURE: 167600 -51.0947 61.6014 -68.0425 61.6014 -47.2112 -92.7076 -68.0418 -92.7081 14.8503 GPRESSURE: 167600 -1.06235 -10.3736 -147.337 129.994 -26.9671 -117.985 -98.7572 -2.38844 50.9135 PRESSAVG: 167600 -64.6641 6.89427 1.07981 6.89435 62.7747 -21.5629 1.0798 -21.5628 -7.48397 GPRESSAVG: 167600 -64.2507 7.51837 0.00749713 5.79751 62.2732 -21.6815 -0.986861 -21.9491 -8.52168 TIMING: 167600 CPU: 495.458, 0.00298/step Wall: 495.458, 0.00298/step, 4.00015 hours remaining, 202.996094 MB of memory in use. ENERGY: 167600 723.2865 2136.8857 1958.6751 111.8892 -206146.7708 17699.2455 0.0000 0.0000 34205.1942 -149311.5945 298.7225 -183516.7887 -149221.3269 299.0418 -27.8185 7.6280 557551.8691 -3.1245 -3.4997 PRESSURE: 167800 -253.938 -17.9792 -7.15516 -17.9788 -78.5311 -15.8343 -7.15501 -15.8357 -2.30325 GPRESSURE: 167800 -170.683 11.7734 -41.9233 -47.0842 -85.8133 49.8602 12.6578 -77.4438 13.2332 PRESSAVG: 167800 11.8624 22.6891 -8.51753 22.6892 7.23515 -62.5149 -8.51756 -62.5151 -10.2032 GPRESSAVG: 167800 11.2317 22.7439 -5.83713 22.2313 6.91267 -61.28 -9.23885 -62.4623 -9.31114 TIMING: 167800 CPU: 496.052, 0.00297139/step Wall: 496.052, 0.00297139/step, 3.98843 hours remaining, 202.996094 MB of memory in use. ENERGY: 167800 736.2337 2072.2866 1962.1078 107.5627 -206093.7433 17682.5138 0.0000 0.0000 34337.2823 -149195.7565 299.8760 -183533.0388 -149100.6867 299.8382 -111.5908 -81.0876 557956.9762 2.9648 2.9444 PRESSURE: 168000 -3.78229 -100.529 -47.6775 -100.529 30.9608 -69.1941 -47.6782 -69.1948 -172.313 GPRESSURE: 168000 86.9329 -55.9095 -1.32204 -178.987 -61.9692 -80.9028 -44.6908 -128.134 -94.8576 PRESSAVG: 168000 10.4065 -47.6636 -46.9852 -47.6637 29.3633 -7.89118 -46.9852 -7.89119 -11.1986 GPRESSAVG: 168000 10.2988 -48.4989 -48.7233 -45.7989 28.5148 -9.12839 -46.9905 -9.91277 -10.1413 TIMING: 168000 CPU: 496.646, 0.00297161/step Wall: 496.646, 0.00297161/step, 3.98856 hours remaining, 202.996094 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: 168000 735.3947 2045.8331 1977.1729 111.9246 -206175.0134 17842.4923 0.0000 0.0000 34372.2405 -149089.9553 300.1813 -183462.1958 -148996.9105 299.4042 -48.3783 -23.2980 559145.2899 9.5237 9.5574 PRESSURE: 168200 -34.1338 -99.824 -117.051 -99.8233 -31.0635 -155.131 -117.051 -155.13 16.9178 GPRESSURE: 168200 -41.0491 -139.843 -80.0214 -74.724 -6.97001 -154.861 -110.538 -116.639 99.725 PRESSAVG: 168200 39.3927 -37.102 -34.9082 -37.102 -86.8547 7.97333 -34.9082 7.97328 50.2621 GPRESSAVG: 168200 40.5898 -37.5051 -33.3229 -38.6504 -86.9656 9.69805 -32.984 7.9406 49.3576 TIMING: 168200 CPU: 497.239, 0.00296208/step Wall: 497.239, 0.00296208/step, 3.97561 hours remaining, 202.996094 MB of memory in use. ENERGY: 168200 731.0591 2070.7815 1951.7753 109.6627 -206431.9335 18003.9875 0.0000 0.0000 34379.1703 -149185.4971 300.2418 -183564.6674 -149089.6708 299.5040 -16.0932 17.2353 558184.0166 0.9334 0.9939 LDB: ============= START OF LOAD BALANCING ============== 500.665 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 500.665 LDB: =============== DONE WITH MIGRATION ================ 500.666 LDB: ============= START OF LOAD BALANCING ============== 500.964 LDB: Largest compute 4848 load 0.027646 is 23.5% of average load 0.117727 LDB: Average compute 0.001719 is 1.5% of average load 0.117727 LDB: TIME 500.966 LOAD: AVG 0.117727 MAX 0.197783 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.574 MB LDB: TIME 500.966 LOAD: AVG 0.117727 MAX 0.197783 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.777 MB LDB: TIME 500.966 LOAD: AVG 0.117727 MAX 0.197783 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.777 MB LDB: ============== END OF LOAD BALANCING =============== 500.968 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 500.972 PRESSURE: 168400 -105.313 -45.2167 -61.0031 -45.2175 45.7139 -90.0579 -61.0041 -90.0568 131.024 GPRESSURE: 168400 -77.5362 -69.4609 -60.6492 -21.1646 113.708 -36.0954 -46.2529 -99.3704 125.785 PRESSAVG: 168400 -75.8766 -7.09406 10.2326 -7.09403 15.9907 20.2328 10.2326 20.2328 40.7814 GPRESSAVG: 168400 -77.0766 -6.10864 7.60169 -5.37173 17.2424 18.8146 10.8829 21.2509 41.0154 TIMING: 168400 CPU: 497.843, 0.00301816/step Wall: 497.843, 0.00301816/step, 4.05071 hours remaining, 204.527344 MB of memory in use. ENERGY: 168400 757.7975 2106.0397 1962.4497 112.5750 -206524.1918 18022.5081 0.0000 0.0000 34289.1117 -149273.7102 299.4553 -183562.8220 -149179.0492 298.8553 23.8081 53.9857 558679.8084 -6.3681 -6.2729 PRESSURE: 168600 -98.6682 86.0416 -114.588 86.0411 -183.405 -38.7539 -114.586 -38.7555 -88.543 GPRESSURE: 168600 -24.2114 54.6722 -70.5481 149.386 -183.154 -104.204 -152.069 54.6689 -79.5407 PRESSAVG: 168600 41.4348 -17.6956 -37.3398 -17.6956 -64.1606 -3.71736 -37.3398 -3.71746 48.3121 GPRESSAVG: 168600 42.0676 -17.8468 -34.1115 -17.6348 -64.5617 -3.42023 -42.2562 -3.8552 47.9378 TIMING: 168600 CPU: 498.435, 0.00296209/step Wall: 498.435, 0.00296209/step, 3.97529 hours remaining, 204.527344 MB of memory in use. ENERGY: 168600 737.0106 2058.1417 1950.4721 103.7297 -206157.4751 17739.1666 0.0000 0.0000 34091.4762 -149477.4782 297.7293 -183568.9544 -149383.6180 298.3663 -123.5389 -95.6355 558507.4887 8.5288 8.4812 PRESSURE: 168800 -333.154 25.731 31.8557 25.7308 -286.744 -118.855 31.8549 -118.856 -300.398 GPRESSURE: 168800 -266.964 127.568 -26.543 40.9074 -309.853 -91.4257 93.5214 -95.9704 -237.321 PRESSAVG: 168800 15.6788 15.6691 -69.9666 15.6691 -30.9588 12.8088 -69.9665 12.8089 48.9691 GPRESSAVG: 168800 15.7423 16.2248 -73.357 16.5091 -30.4666 12.7627 -65.7665 13.6035 48.885 TIMING: 168800 CPU: 499.021, 0.00292981/step Wall: 499.021, 0.00292981/step, 3.93181 hours remaining, 204.781250 MB of memory in use. ENERGY: 168800 761.7538 2090.9034 1941.1069 103.0447 -206245.3148 17649.7368 0.0000 0.0000 34322.0845 -149376.6846 299.7433 -183698.7691 -149282.2057 298.2753 -306.7653 -271.3796 559173.5307 11.2297 11.3869 PRESSURE: 169000 130.037 47.9711 44.2161 47.9707 -326.157 46.406 44.2149 46.4079 61.7188 GPRESSURE: 169000 196.077 80.2586 47.6539 6.24608 -298.771 40.758 91.0371 9.92654 71.4479 PRESSAVG: 169000 -5.8392 54.184 -56.6698 54.184 -1.97864 -23.7536 -56.6699 -23.7535 -10.5912 GPRESSAVG: 169000 -5.82474 55.2136 -54.5807 52.1628 -2.50693 -22.7749 -58.4205 -24.7816 -10.2159 TIMING: 169000 CPU: 499.611, 0.00294964/step Wall: 499.611, 0.00294964/step, 3.95826 hours remaining, 204.781250 MB of memory in use. ENERGY: 169000 753.7301 2066.5872 1948.1935 103.9283 -205944.1805 17818.7090 0.0000 0.0000 33862.2465 -149390.7860 295.7274 -183253.0325 -149293.5007 297.9317 -44.8005 -10.4153 559575.1287 -6.1364 -6.1825 PRESSURE: 169200 152.86 -129.36 43.4558 -129.358 139.332 -31.7159 43.4565 -31.7169 100.493 GPRESSURE: 169200 239.465 -102.713 -38.4576 -178.291 177.328 75.1916 104.636 -22.9189 82.0353 PRESSAVG: 169200 4.13683 18.9051 11.8756 18.9052 40.9827 11.4731 11.8755 11.473 -4.53549 GPRESSAVG: 169200 6.01623 16.4698 10.6628 20.818 40.5553 11.9334 12.6347 12.0746 -5.61025 TIMING: 169200 CPU: 500.2, 0.00294703/step Wall: 500.2, 0.00294703/step, 3.95459 hours remaining, 204.781250 MB of memory in use. ENERGY: 169200 786.4888 2049.9657 1935.4649 113.4838 -206788.8446 18222.1966 0.0000 0.0000 34325.7497 -149355.4951 299.7753 -183681.2448 -149261.5871 298.0711 130.8952 166.2761 556765.0253 13.5280 13.6537 PRESSURE: 169400 -186.546 117.06 53.7889 117.058 -122.404 58.6577 53.7908 58.6579 -59.4227 GPRESSURE: 169400 -124.372 108.289 140.235 49.1914 -100.105 121.067 62.0799 -39.6131 -46.1839 PRESSAVG: 169400 -42.0243 5.59968 12.2744 5.59966 43.8682 29.4271 12.2744 29.4272 -5.19804 GPRESSAVG: 169400 -44.3295 7.3137 13.6158 3.08939 44.8756 29.5326 12.7335 28.5076 -3.52074 TIMING: 169400 CPU: 500.796, 0.00298081/step Wall: 500.796, 0.00298081/step, 3.99975 hours remaining, 204.781250 MB of memory in use. ENERGY: 169400 732.3117 2028.4471 1938.4665 113.8484 -206084.7379 17666.3931 0.0000 0.0000 34287.0325 -149318.2386 299.4372 -183605.2712 -149225.8957 298.8188 -122.7908 -90.2205 558084.7818 -1.1180 -0.9915 PRESSURE: 169600 -67.472 23.8738 -21.1524 23.8738 -24.8309 73.0321 -21.1529 73.0322 -53.2238 GPRESSURE: 169600 76.7326 40.5168 -103.191 3.13198 -47.1397 98.8744 11.3969 -19.1661 -78.6589 PRESSAVG: 169600 -10.2039 -3.67856 -86.6339 -3.67851 33.6357 16.0835 -86.634 16.0835 11.3421 GPRESSAVG: 169600 -8.54914 -4.35901 -89.7494 -2.68881 32.5268 14.8811 -84.3331 16.7973 11.1393 TIMING: 169600 CPU: 501.389, 0.00296128/step Wall: 501.389, 0.00296128/step, 3.97338 hours remaining, 204.781250 MB of memory in use. ENERGY: 169600 776.3852 2116.9030 1960.3358 104.1542 -206295.0628 17871.7013 0.0000 0.0000 34104.2984 -149361.2848 297.8413 -183465.5833 -149268.8360 299.2750 -48.5089 -16.3553 556911.5442 11.5913 11.7056 PRESSURE: 169800 76.8928 -34.7846 23.981 -34.7846 26.4725 -129.412 23.9813 -129.41 -113.987 GPRESSURE: 169800 138.411 -72.7878 -6.37282 56.677 44.9207 -135.179 15.8102 -177.029 -89.2599 PRESSAVG: 169800 49.9123 22.2221 -10.6702 22.2221 -52.1194 8.6615 -10.6701 8.66158 -24.3496 GPRESSAVG: 169800 48.9133 20.2734 -8.21028 23.4599 -51.4271 10.6484 -13.6118 8.57388 -23.9034 TIMING: 169800 CPU: 501.983, 0.00297412/step Wall: 501.983, 0.00297412/step, 3.99044 hours remaining, 204.781250 MB of memory in use. ENERGY: 169800 741.4105 2056.7846 1940.1634 106.5310 -206435.0379 17923.7069 0.0000 0.0000 34186.2569 -149480.1848 298.5571 -183666.4417 -149386.3711 298.2095 -3.5405 31.3571 559448.1820 -8.8522 -8.8057 PRESSURE: 170000 -240.575 -87.7651 -189.275 -87.7634 -65.9134 -26.8661 -189.275 -26.8652 50.7247 GPRESSURE: 170000 -192.058 -69.359 -173.45 -148.35 -5.21451 27.9567 -189.351 -87.9728 41.9034 PRESSAVG: 170000 -30.3689 55.8678 -14.2532 55.8677 22.9423 5.34543 -14.2532 5.34547 -7.86216 GPRESSAVG: 170000 -28.8288 55.7439 -15.0895 57.5463 22.4571 3.31364 -14.9488 5.96198 -8.66577 TIMING: 170000 CPU: 502.578, 0.00297221/step Wall: 502.578, 0.00297221/step, 3.98771 hours remaining, 204.781250 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: 170000 729.3574 2062.8636 1954.9994 119.4391 -206217.4116 17779.9646 0.0000 0.0000 34135.7911 -149434.9964 298.1164 -183570.7875 -149336.4309 298.1917 -85.2545 -51.7898 558220.0862 -5.0962 -5.0125 PRESSURE: 170200 21.389 161.417 26.4912 161.417 107.203 -5.5769 26.4902 -5.57639 68.7256 GPRESSURE: 170200 56.6587 94.3267 135.069 121.478 151.321 -8.55326 -12.8255 -33.5454 83.5971 PRESSAVG: 170200 -51.2875 90.4731 -14.021 90.4732 -18.9512 71.7724 -14.0211 71.7723 20.9076 GPRESSAVG: 170200 -52.0065 91.8144 -14.8649 87.0268 -18.0619 71.9023 -10.939 71.8606 21.3196 TIMING: 170200 CPU: 503.173, 0.00297664/step Wall: 503.173, 0.00297664/step, 3.99349 hours remaining, 204.781250 MB of memory in use. ENERGY: 170200 713.8918 2071.5692 1962.3428 101.3853 -206258.7406 17853.8253 0.0000 0.0000 34263.6938 -149292.0324 299.2334 -183555.7262 -149203.9547 298.9795 65.7724 97.1921 558327.3464 -16.4437 -16.2496 PRESSURE: 170400 -52.6597 115.127 9.07961 115.128 -86.9075 -8.26791 9.08057 -8.26824 8.83464 GPRESSURE: 170400 -31.4868 91.572 100.936 108.67 -30.9756 -45.9253 -16.894 42.7758 33.4666 PRESSAVG: 170400 -21.8161 -29.633 42.2616 -29.633 27.4169 19.0451 42.2616 19.0451 -23.3085 GPRESSAVG: 170400 -23.4176 -29.809 43.5319 -27.861 27.704 18.3147 40.9337 18.2207 -21.551 TIMING: 170400 CPU: 503.765, 0.00296042/step Wall: 503.765, 0.00296042/step, 3.97157 hours remaining, 204.781250 MB of memory in use. ENERGY: 170400 758.9357 2089.0878 1932.5047 109.3252 -206466.5404 17798.5036 0.0000 0.0000 34438.4323 -149339.7510 300.7594 -183778.1833 -149235.5007 299.4074 -43.5775 -9.6653 557139.3231 -5.9025 -5.7549 PRESSURE: 170600 -82.3369 41.9197 6.93038 41.9174 -29.3923 -63.7559 6.93015 -63.7573 -46.783 GPRESSURE: 170600 -3.3581 55.7644 -29.4468 32.8466 0.467551 -45.6506 52.1838 -33.1135 -63.5113 PRESSAVG: 170600 -41.4016 12.3097 6.34315 12.3098 -44.3733 -41.6324 6.34318 -41.6324 106.22 GPRESSAVG: 170600 -39.3605 12.348 6.78026 11.6876 -44.9219 -42.0719 4.87147 -41.5635 104.721 TIMING: 170600 CPU: 504.355, 0.00294964/step Wall: 504.355, 0.00294964/step, 3.95694 hours remaining, 204.984375 MB of memory in use. ENERGY: 170600 737.7621 2043.9561 1947.2376 114.4552 -206297.5090 17753.8185 0.0000 0.0000 34296.0811 -149404.1985 299.5162 -183700.2795 -149300.6977 298.3475 -52.8374 -22.1340 557104.7561 6.8151 6.8127 PRESSURE: 170800 -148.79 -162.823 169.468 -162.821 28.4781 9.35648 169.468 9.35695 -30.6291 GPRESSURE: 170800 -118.326 -211.982 148.774 -67.4654 29.3293 5.94681 173.99 72.9277 26.1338 PRESSAVG: 170800 -21.6508 19.234 40.7191 19.2341 -30.1088 -24.0588 40.719 -24.0587 4.43833 GPRESSAVG: 170800 -21.4127 19.2983 40.0789 17.397 -29.3169 -23.1796 41.4864 -23.6159 3.22654 TIMING: 170800 CPU: 504.946, 0.00295208/step Wall: 504.946, 0.00295208/step, 3.96005 hours remaining, 204.984375 MB of memory in use. ENERGY: 170800 721.0653 2087.8093 1959.1014 117.9748 -206366.0197 17904.3319 0.0000 0.0000 34152.6977 -149423.0393 298.2640 -183575.7371 -149328.7573 298.3497 -50.3137 -20.9544 557886.6183 -15.7738 -15.8344 PRESSURE: 171000 -47.7175 112.016 80.7426 112.015 74.0946 -95.8272 80.7426 -95.826 55.9309 GPRESSURE: 171000 79.3257 139.712 64.3687 100.436 25.2566 -73.1221 21.1876 -84.9629 86.2833 PRESSAVG: 171000 -41.0116 1.57994 50.5978 1.57996 13.8397 -31.7883 50.5978 -31.7883 -20.8637 GPRESSAVG: 171000 -41.5974 4.02646 51.5243 3.94301 13.5634 -30.712 49.684 -33.634 -19.833 TIMING: 171000 CPU: 505.536, 0.00294973/step Wall: 505.536, 0.00294973/step, 3.95674 hours remaining, 204.984375 MB of memory in use. ENERGY: 171000 776.9659 2126.8168 1980.9087 112.7764 -206196.2846 17875.2334 0.0000 0.0000 34066.4395 -149257.1439 297.5107 -183323.5834 -149157.8904 298.6854 27.4360 63.6219 558173.1011 -16.0119 -15.9557 PRESSURE: 171200 -225.095 -1.7489 -0.470404 -1.74975 35.7738 124.879 -0.471264 124.881 -272.923 GPRESSURE: 171200 -187.131 -104.21 -77.9959 74.8097 58.646 129.934 15.472 194.853 -225.076 PRESSAVG: 171200 -30.9988 -29.6677 -11.2812 -29.6676 3.6616 -14.9397 -11.2812 -14.9398 -21.4037 GPRESSAVG: 171200 -29.476 -30.7852 -11.771 -29.5859 2.23048 -18.2478 -11.7252 -12.2555 -21.7381 TIMING: 171200 CPU: 506.126, 0.0029519/step Wall: 506.126, 0.0029519/step, 3.95948 hours remaining, 204.984375 MB of memory in use. ENERGY: 171200 729.7208 2085.3606 1941.7071 121.4991 -205939.9233 17670.7538 0.0000 0.0000 34177.8044 -149213.0775 298.4833 -183390.8819 -149117.2451 298.9951 -154.0813 -117.8535 559781.2275 -16.2470 -16.3279 PRESSURE: 171400 7.01302 -231.314 161.523 -231.314 50.5673 48.4451 161.523 48.4451 -68.4847 GPRESSURE: 171400 76.3901 -273.164 184.227 -176.197 73.3041 24.2824 136.691 34.088 -58.3426 PRESSAVG: 171400 -29.8089 -21.5895 17.8371 -21.5895 69.3262 -25.4454 17.8371 -25.4453 10.3109 GPRESSAVG: 171400 -31.1583 -21.9532 16.9999 -21.7272 70.1574 -23.44 20.4279 -26.3581 11.0815 TIMING: 171400 CPU: 506.717, 0.00295577/step Wall: 506.717, 0.00295577/step, 3.96451 hours remaining, 204.984375 MB of memory in use. ENERGY: 171400 707.7342 2046.0527 1950.5735 115.0121 -205923.3660 17745.1014 0.0000 0.0000 34062.4480 -149296.4442 297.4758 -183358.8921 -149194.4586 299.3174 -3.6348 30.4505 558009.6609 16.6094 16.6935 PRESSURE: 171600 -186.697 -124.42 -83.1947 -124.42 -295.119 -85.5302 -83.1918 -85.5308 -28.9679 GPRESSURE: 171600 -132.215 -117.605 -109.491 -99.1829 -279.741 -52.9335 -39.1498 -96.5724 -0.563747 PRESSAVG: 171600 -13.32 -72.3731 24.7575 -72.3731 16.4791 -48.7945 24.7573 -48.7944 -27.3556 GPRESSAVG: 171600 -13.832 -71.3563 24.8843 -73.3997 17.125 -48.1158 23.9383 -49.8053 -27.4329 TIMING: 171600 CPU: 507.309, 0.00295949/step Wall: 507.309, 0.00295949/step, 3.96933 hours remaining, 204.984375 MB of memory in use. ENERGY: 171600 763.5996 2068.0926 1910.9536 114.4992 -205455.4492 17452.8807 0.0000 0.0000 33965.0758 -149180.3477 296.6255 -183145.4235 -149086.2815 298.3529 -170.2614 -137.5067 558311.6908 -8.0655 -8.0467 PRESSURE: 171800 208.599 -54.1778 267.59 -54.1775 190.304 -177.257 267.59 -177.256 -139.248 GPRESSURE: 171800 244.877 -81.5389 276.505 27.526 182.775 -117.689 218.926 -105.139 -66.7005 PRESSAVG: 171800 -2.20521 -34.2879 49.3901 -34.2879 55.9873 1.49968 49.3901 1.49972 0.671476 GPRESSAVG: 171800 -0.216364 -37.6892 50.2686 -32.5927 54.9428 1.13136 48.4645 4.2927 0.016456 TIMING: 171800 CPU: 507.903, 0.00296813/step Wall: 507.903, 0.00296813/step, 3.98076 hours remaining, 204.984375 MB of memory in use. ENERGY: 171800 767.1077 2061.0868 1938.1916 106.5796 -206504.3213 18115.6660 0.0000 0.0000 34263.8317 -149251.8578 299.2346 -183515.6896 -149155.3381 298.8914 86.5520 120.3173 556791.7110 18.1512 18.2476 PRESSURE: 172000 -189.818 38.3137 -178.926 38.3122 -294.76 125.674 -178.925 125.674 -318.478 GPRESSURE: 172000 -182.988 1.92174 -195.944 -47.255 -255.608 148.533 -5.38202 68.3359 -262.27 PRESSAVG: 172000 35.4747 3.37924 18.011 3.37933 13.1729 -21.4344 18.0109 -21.4343 -9.45501 GPRESSAVG: 172000 34.2745 6.2133 16.1649 1.27948 14.26 -19.7088 19.8986 -24.0777 -9.35561 TIMING: 172000 CPU: 508.501, 0.00299208/step Wall: 508.501, 0.00299208/step, 4.01271 hours remaining, 204.984375 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: 172000 753.1040 2099.7447 1954.2364 111.3577 -206012.1104 17523.6899 0.0000 0.0000 34322.6628 -149247.3149 299.7484 -183569.9777 -149145.8578 299.0160 -267.6850 -233.6222 558493.7236 13.0642 13.0596 PRESSURE: 172200 58.8701 -73.8338 -99.7401 -73.8333 -19.9702 56.9812 -99.7383 56.9806 -123.014 GPRESSURE: 172200 104.537 -50.6418 -188.599 -111.591 63.5933 43.3281 1.3107 59.9757 -164.44 PRESSAVG: 172200 51.5322 -72.8618 -6.23576 -72.8617 -5.15464 -42.8111 -6.23578 -42.8112 -25.9921 GPRESSAVG: 172200 51.6902 -73.4947 -5.02034 -70.392 -5.4019 -45.1246 -6.26646 -40.9999 -25.6384 TIMING: 172200 CPU: 509.094, 0.00296228/step Wall: 509.094, 0.00296228/step, 3.97259 hours remaining, 204.984375 MB of memory in use. ENERGY: 172200 743.1189 2076.4715 1952.5428 101.3367 -206248.2492 17806.1414 0.0000 0.0000 34391.4737 -149177.1642 300.3493 -183568.6378 -149075.7131 299.2593 -28.0381 1.2299 558421.4575 6.7952 6.8833 LDB: ============= START OF LOAD BALANCING ============== 512.524 LDB: ============== END OF LOAD BALANCING =============== 512.524 LDB: =============== DONE WITH MIGRATION ================ 512.526 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 512.823 LDB: Largest compute 4848 load 0.028504 is 24.2% of average load 0.117708 LDB: Average compute 0.001735 is 1.5% of average load 0.117708 LDB: TIME 512.826 LOAD: AVG 0.117708 MAX 0.200247 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.805 MB LDB: TIME 512.826 LOAD: AVG 0.117708 MAX 0.200247 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.867 MB LDB: TIME 512.826 LOAD: AVG 0.117708 MAX 0.200247 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.867 MB LDB: ============== END OF LOAD BALANCING =============== 512.828 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 512.832 PRESSURE: 172400 -274.48 168.251 -140.301 168.249 199.689 19.3821 -140.299 19.3819 -59.4139 GPRESSURE: 172400 -219.733 203.542 -150.958 187.423 193.266 39.7987 -92.2765 39.3792 -17.9342 PRESSAVG: 172400 37.7614 39.6461 -14.049 39.6462 38.8963 -62.3119 -14.0491 -62.312 -45.6313 GPRESSAVG: 172400 38.6369 39.5719 -11.0352 38.7189 38.8036 -60.8414 -17.34 -62.7498 -45.8218 TIMING: 172400 CPU: 509.702, 0.00304405/step Wall: 509.702, 0.00304405/step, 4.08207 hours remaining, 205.117188 MB of memory in use. ENERGY: 172400 733.7264 2128.9759 1937.7543 119.5001 -206104.2155 17712.9048 0.0000 0.0000 34402.1580 -149069.1960 300.4426 -183471.3541 -148967.4529 300.0951 -44.7347 -14.8004 558030.7947 10.3421 10.5396 PRESSURE: 172600 -110.594 140.848 -63.8528 140.849 -146.907 -81.3568 -63.8521 -81.3569 -4.38361 GPRESSURE: 172600 -2.46411 102.046 -9.64977 182.377 -110.637 -170.599 -88.1098 -82.3977 -49.3738 PRESSAVG: 172600 -5.43865 62.6001 -42.5948 62.6001 24.4542 13.6903 -42.5947 13.6905 -21.4183 GPRESSAVG: 172600 -5.31973 62.7345 -46.188 61.9554 23.7873 12.6814 -39.4644 12.725 -21.0993 TIMING: 172600 CPU: 510.306, 0.00301815/step Wall: 510.306, 0.00301815/step, 4.04717 hours remaining, 205.117188 MB of memory in use. ENERGY: 172600 780.5462 2059.5921 1940.8534 114.5326 -206676.6394 18095.0323 0.0000 0.0000 34579.6285 -149106.4543 301.9925 -183686.0828 -149002.9617 299.6531 -87.2950 -54.1583 557897.9917 -0.8009 -0.8772 PRESSURE: 172800 102.256 -120.138 75.5581 -120.138 10.3676 -165.939 75.5586 -165.939 212.033 GPRESSURE: 172800 128.342 2.60355 86.8266 -77.6478 95.3209 -198.65 18.4702 -168.553 184.145 PRESSAVG: 172800 -25.949 -0.53773 33.8158 -0.537764 60.4126 -24.2438 33.8157 -24.2437 -43.5965 GPRESSAVG: 172800 -27.4583 -0.2081 33.4681 0.560457 62.3744 -23.2369 32.0517 -22.9269 -44.1664 TIMING: 172800 CPU: 510.9, 0.00297113/step Wall: 510.9, 0.00297113/step, 3.98395 hours remaining, 205.117188 MB of memory in use. ENERGY: 172800 715.9480 2097.5764 1973.1162 99.5530 -206662.6479 18095.0587 0.0000 0.0000 34465.7960 -149215.5996 300.9984 -183681.3956 -149113.3336 299.2124 108.2189 135.9361 558363.2501 -3.0443 -3.0834 PRESSURE: 173000 -18.9143 235.265 22.0443 235.263 -177.09 -90.2653 22.0445 -90.264 176.995 GPRESSURE: 173000 32.3224 260.604 -45.7921 339.677 -176.488 -114.269 44.7724 -59.1574 207.652 PRESSAVG: 173000 -91.6773 50.0454 -2.51967 50.0455 38.7141 -11.7306 -2.51968 -11.7305 76.4318 GPRESSAVG: 173000 -89.3568 47.753 -2.50729 48.9371 36.4649 -13.8238 -2.11003 -12.2986 76.7452 TIMING: 173000 CPU: 511.489, 0.00294274/step Wall: 511.489, 0.00294275/step, 3.94573 hours remaining, 205.117188 MB of memory in use. ENERGY: 173000 760.5632 2116.1266 1965.7820 119.1257 -206141.7227 17778.8162 0.0000 0.0000 34154.5524 -149246.7566 298.2802 -183401.3089 -149145.8956 298.9943 -6.3364 21.1621 559004.4481 7.8229 7.9511 PRESSURE: 173200 143.128 98.207 -149.49 98.2062 -70.7586 63.3061 -149.49 63.3064 116.895 GPRESSURE: 173200 121.733 62.76 -215.502 88.9802 -59.262 50.8703 -118.941 77.3541 232.032 PRESSAVG: 173200 -40.9135 77.6644 -11.0625 77.6644 -40.0061 24.3802 -11.0625 24.3802 92.6943 GPRESSAVG: 173200 -41.1296 79.1929 -9.21053 78.2066 -39.7041 24.0155 -11.5628 25.3072 93.0509 TIMING: 173200 CPU: 512.077, 0.00294332/step Wall: 512.077, 0.00294332/step, 3.94633 hours remaining, 205.117188 MB of memory in use. ENERGY: 173200 711.2977 2063.1561 1937.3275 106.8083 -206229.0596 18073.4552 0.0000 0.0000 34217.1199 -149119.8951 298.8266 -183337.0149 -149019.1232 299.7101 63.0883 98.1678 558488.3842 3.9249 4.0724 PRESSURE: 173400 223.714 133.987 -279.874 133.987 250.352 21.5448 -279.871 21.5448 -100.499 GPRESSURE: 173400 275.113 130.77 -248.895 110.29 301.464 -8.77498 -252.24 23.3423 -112.063 PRESSAVG: 173400 54.0426 45.7922 -39.2065 45.7921 -47.1755 39.411 -39.2065 39.411 -13.2082 GPRESSAVG: 173400 54.2274 45.4796 -39.3018 45.0023 -47.9424 39.6473 -39.7655 40.3125 -13.047 TIMING: 173400 CPU: 512.668, 0.00295332/step Wall: 512.668, 0.00295332/step, 3.95958 hours remaining, 205.117188 MB of memory in use. ENERGY: 173400 719.7139 2124.6498 1968.5948 112.3916 -205923.7412 17886.3744 0.0000 0.0000 34334.9174 -148777.0994 299.8554 -183112.0168 -148683.2452 299.6978 124.5222 154.8381 558284.7657 -2.1137 -2.2540 PRESSURE: 173600 189.997 -5.725 157.739 -5.7253 -135.869 -45.9644 157.739 -45.9643 12.977 GPRESSURE: 173600 156.385 -88.0945 154.028 68.3125 -45.5459 -80.0005 201.431 -18.5351 51.0626 PRESSAVG: 173600 -16.9923 -20.2189 -29.4201 -20.2188 13.3075 22.8291 -29.4201 22.8289 10.3083 GPRESSAVG: 173600 -19.1456 -20.6095 -31.2064 -19.3073 16.1371 23.9635 -28.001 22.3522 8.93768 TIMING: 173600 CPU: 513.254, 0.00293102/step Wall: 513.254, 0.00293102/step, 3.92952 hours remaining, 205.117188 MB of memory in use. ENERGY: 173600 778.2747 2118.1201 1958.7431 102.9804 -205945.1718 17777.9135 0.0000 0.0000 34504.9258 -148704.2141 301.3401 -183209.1399 -148607.2813 300.0935 22.3683 53.9673 556716.0764 2.2079 1.9764 PRESSURE: 173800 -156.409 -152.126 -1.12175 -152.126 76.0961 76.018 -1.1216 76.0171 -23.0878 GPRESSURE: 173800 -155.146 -97.0424 -133.358 -187.829 119.387 52.8088 65.1477 16.0487 27.6261 PRESSAVG: 173800 -10.3664 -30.8406 21.7028 -30.8407 -22.9523 -55.1313 21.7028 -55.1314 22.049 GPRESSAVG: 173800 -9.83724 -28.9175 23.0758 -32.7433 -23.9746 -55.7003 22.1879 -55.4589 22.5306 TIMING: 173800 CPU: 513.844, 0.00294789/step Wall: 513.844, 0.00294789/step, 3.95198 hours remaining, 205.117188 MB of memory in use. ENERGY: 173800 784.9916 2098.2201 1979.6093 110.0232 -205675.7210 17698.2915 0.0000 0.0000 34479.6709 -148524.9145 301.1195 -183004.5853 -148420.6814 301.2782 -34.4669 -2.7110 558282.6955 -3.7566 -3.7604 PRESSURE: 174000 124.704 161.433 1.09683 161.432 37.8435 -53.1386 1.09756 -53.1379 86.1109 GPRESSURE: 174000 154.722 100.576 -32.9969 173.66 116.728 -80.1816 67.5015 -62.0451 72.834 PRESSAVG: 174000 -32.9395 -35.0018 -5.56668 -35.0018 10.383 -45.8272 -5.56658 -45.8271 -0.860145 GPRESSAVG: 174000 -32.1048 -35.8908 -6.64653 -35.2922 10.3544 -44.0283 -6.53991 -45.699 -1.29855 TIMING: 174000 CPU: 514.436, 0.00296214/step Wall: 514.436, 0.00296214/step, 3.97092 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: 174000 722.9294 2074.4710 1943.4654 108.6096 -206186.5260 17987.7410 0.0000 0.0000 34779.6704 -148569.6392 303.7395 -183349.3096 -148468.9734 301.5367 82.8860 114.7615 558965.3142 -7.8055 -7.6830 PRESSURE: 174200 -308.707 -12.2251 183.133 -12.2262 57.2233 81.3504 183.133 81.3513 -272.326 GPRESSURE: 174200 -304.263 32.0819 227.39 -96.2794 80.7741 99.3475 161.352 163.319 -218.924 PRESSAVG: 174200 -21.0113 -29.9416 14.4954 -29.9416 -6.94266 29.4964 14.4955 29.4965 36.1709 GPRESSAVG: 174200 -22.5872 -31.282 14.7633 -28.629 -7.00294 28.3042 13.4365 28.4638 37.2855 TIMING: 174200 CPU: 515.028, 0.00296057/step Wall: 515.028, 0.00296057/step, 3.96864 hours remaining, 205.117188 MB of memory in use. ENERGY: 174200 765.4758 2121.3260 1945.5748 99.6274 -205489.5672 17571.3026 0.0000 0.0000 34210.7634 -148775.4972 298.7711 -182986.2606 -148685.3353 300.4156 -174.6030 -147.4709 559885.2459 2.7390 2.5651 PRESSURE: 174400 -101.06 98.1006 -36.1092 98.1009 213.29 -14.7336 -36.1087 -14.7352 25.5167 GPRESSURE: 174400 -52.0628 126.24 -51.9358 148.373 155.138 32.337 -23.7017 4.2756 127.928 PRESSAVG: 174400 -6.62345 22.1162 9.10137 22.1163 -9.73347 16.4785 9.10136 16.4784 -19.4724 GPRESSAVG: 174400 -6.54732 24.5633 9.49557 22.3517 -9.63017 17.5208 9.35402 17.6398 -19.2131 TIMING: 174400 CPU: 515.619, 0.00295064/step Wall: 515.619, 0.00295064/step, 3.95517 hours remaining, 205.117188 MB of memory in use. ENERGY: 174400 764.4231 2045.1813 1957.7693 109.3514 -206026.3182 17856.2600 0.0000 0.0000 34412.2856 -148881.0474 300.5310 -183293.3331 -148779.6621 300.0748 45.9156 77.0010 557667.9786 -11.9431 -11.7969 PRESSURE: 174600 -365.743 -115.526 -115.272 -115.526 -102.432 -193.318 -115.271 -193.319 -168.45 GPRESSURE: 174600 -368.636 -49.0139 -46.3052 -84.5592 -23.2348 -48.1183 -142.248 -269.149 -148.404 PRESSAVG: 174600 -0.477315 61.1558 -48.332 61.1559 -11.4753 -29.6758 -48.332 -29.6759 21.5521 GPRESSAVG: 174600 0.157658 62.2188 -49.1974 59.3761 -11.1054 -30.4096 -47.6979 -30.0108 20.641 TIMING: 174600 CPU: 516.208, 0.0029462/step Wall: 516.208, 0.0029462/step, 3.94906 hours remaining, 205.117188 MB of memory in use. ENERGY: 174600 704.4987 2161.8570 1966.3722 123.4583 -205594.7187 17428.5029 0.0000 0.0000 34438.2683 -148771.7612 300.7580 -183210.0296 -148676.2304 300.9375 -212.2087 -180.0915 559283.0375 3.1998 3.2311 PRESSURE: 174800 157.727 15.6159 113.84 15.6143 -304.21 -192.966 113.84 -192.967 -133.329 GPRESSURE: 174800 94.6254 9.27566 100.342 31.5733 -267.463 -172.028 98.5561 -205.471 -10.7096 PRESSAVG: 174800 23.0364 21.0137 -31.922 21.0137 -44.4359 -64.4448 -31.9221 -64.4447 30.0182 GPRESSAVG: 174800 22.7245 20.7456 -31.5919 21.946 -44.4404 -62.2659 -34.9814 -66.9732 29.9211 TIMING: 174800 CPU: 516.797, 0.00294549/step Wall: 516.797, 0.00294549/step, 3.94793 hours remaining, 205.117188 MB of memory in use. ENERGY: 174800 746.1702 2050.1340 1957.5424 110.2184 -206004.2875 17769.6336 0.0000 0.0000 34616.6190 -148753.9699 302.3155 -183370.5889 -148656.5956 300.3356 -93.2707 -61.1825 557790.5186 2.8729 2.7351 PRESSURE: 175000 -46.9113 38.2513 -18.4209 38.2513 -211.735 -21.5246 -18.4206 -21.5255 -3.62075 GPRESSURE: 175000 -36.5024 -11.2199 11.5354 78.5565 -189.034 -48.4314 -25.3365 29.785 57.5883 PRESSAVG: 175000 25.3222 -28.101 0.0879382 -28.1011 -142.986 -50.0245 0.0879366 -50.0245 65.8671 GPRESSAVG: 175000 26.2811 -30.9092 -0.914076 -28.0523 -144.686 -52.4504 3.78258 -47.771 66.0053 TIMING: 175000 CPU: 517.387, 0.00295293/step Wall: 517.387, 0.00295293/step, 3.95774 hours remaining, 205.367188 MB of memory in use. ENERGY: 175000 735.4730 2074.9734 1948.3193 121.7416 -205552.4144 17411.8718 0.0000 0.0000 34391.5615 -148868.4738 300.3501 -183260.0352 -148767.0617 300.9566 -87.4222 -55.9829 557575.7613 -17.2656 -17.4665 PRESSURE: 175200 -104.586 -94.6475 -70.7296 -94.648 -331.408 -165.22 -70.7292 -165.222 50.0353 GPRESSURE: 175200 -107.719 -114.622 -69.0884 -81.3457 -269.789 -256.869 -52.5535 -77.6827 90.9827 PRESSAVG: 175200 3.17434 26.8312 -34.9076 26.8313 -38.7465 8.1345 -34.9077 8.13452 -13.6503 GPRESSAVG: 175200 1.9757 26.3271 -34.8063 28.0565 -36.7943 6.54913 -36.2856 8.82419 -14.0284 TIMING: 175200 CPU: 517.975, 0.0029395/step Wall: 517.975, 0.0029395/step, 3.93958 hours remaining, 205.367188 MB of memory in use. ENERGY: 175200 756.9271 2150.6348 1939.0833 111.7678 -206042.0363 17707.0782 0.0000 0.0000 34414.3104 -148962.2347 300.5487 -183376.5451 -148868.1475 300.1491 -128.6531 -95.5086 557452.7243 -16.4075 -16.2823 PRESSURE: 175400 -30.6606 -20.3191 -302.261 -20.3193 42.8542 -135.127 -302.261 -135.128 45.8475 GPRESSURE: 175400 -19.3363 18.6611 -312.151 -41.5148 98.0267 -211.376 -279.711 -61.1368 60.873 PRESSAVG: 175400 73.8199 -52.4757 -34.4854 -52.4756 -51.7895 -10.497 -34.4854 -10.497 -27.2351 GPRESSAVG: 175400 74.6991 -50.9245 -34.2706 -53.9573 -53.038 -9.59919 -34.0076 -9.78701 -27.6152 TIMING: 175400 CPU: 518.566, 0.00295498/step Wall: 518.566, 0.00295498/step, 3.96017 hours remaining, 205.367188 MB of memory in use. ENERGY: 175400 729.5690 2065.9530 1954.2951 113.5136 -205931.3318 17851.6270 0.0000 0.0000 34139.9276 -149076.4465 298.1525 -183216.3741 -148973.8095 299.6854 19.3470 46.5212 557969.5924 -1.7349 -1.9847 PRESSURE: 175600 133.497 -15.7586 -124.144 -15.7593 139.576 100.947 -124.145 100.948 201.815 GPRESSURE: 175600 147.657 15.7111 -115.231 -94.5809 151.8 123.357 -70.0027 127.315 282.436 PRESSAVG: 175600 46.4155 15.568 -52.4592 15.5679 -8.71254 18.7485 -52.4593 18.7485 -40.3725 GPRESSAVG: 175600 45.9959 16.6828 -55.325 13.648 -8.42346 19.7154 -51.7352 18.2471 -40.4001 TIMING: 175600 CPU: 519.158, 0.00295836/step Wall: 519.158, 0.00295836/step, 3.96453 hours remaining, 205.367188 MB of memory in use. ENERGY: 175600 739.3286 2139.9442 1954.2595 110.3424 -206842.9561 18231.1602 0.0000 0.0000 34549.9107 -149118.0104 301.7330 -183667.9212 -149024.6105 299.6159 158.2962 193.9643 557614.2111 -0.8898 -0.9426 PRESSURE: 175800 -63.444 47.2216 83.5536 47.2228 -81.1076 190.276 83.5533 190.277 155.643 GPRESSURE: 175800 19.6038 54.6311 110.197 55.3345 -21.099 82.0601 73.8886 234.402 108.432 PRESSAVG: 175800 26.5407 -7.8046 -17.7938 -7.8046 -40.5334 32.8714 -17.7939 32.8714 42.7478 GPRESSAVG: 175800 25.2709 -8.14077 -16.1252 -6.50468 -39.4027 32.024 -19.3947 33.2431 42.9896 TIMING: 175800 CPU: 519.751, 0.00296495/step Wall: 519.751, 0.00296495/step, 3.9732 hours remaining, 205.367188 MB of memory in use. ENERGY: 175800 716.6758 2117.9606 1975.4836 103.0248 -206155.4685 17788.1986 0.0000 0.0000 34205.3551 -149248.7699 298.7239 -183454.1250 -149152.7980 299.7768 3.6970 35.6457 558049.3467 9.5850 9.6193 PRESSURE: 176000 4.26221 10.1229 -200.593 10.1224 -90.0175 187.181 -200.593 187.182 44.3406 GPRESSURE: 176000 27.6628 15.7833 -193.298 -27.9506 -42.2883 270.904 -240.716 131.167 69.6909 PRESSAVG: 176000 10.4756 -17.7706 -39.3684 -17.7705 -29.9506 81.8647 -39.3686 81.8646 -5.3864 GPRESSAVG: 176000 11.0868 -19.1415 -37.5244 -18.3356 -30.7206 82.8185 -41.0176 78.4024 -5.03788 TIMING: 176000 CPU: 520.345, 0.00297177/step Wall: 520.345, 0.00297177/step, 3.98217 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: 176000 729.2104 2013.5800 1968.5219 112.9994 -206287.8711 17826.2170 0.0000 0.0000 34497.0886 -149140.2538 301.2717 -183637.3424 -149034.1671 299.5449 -13.8049 18.3552 557441.6138 -8.2871 -8.2239 PRESSURE: 176200 56.7738 78.7496 35.3065 78.7489 30.9818 209.694 35.306 209.695 -21.3008 GPRESSURE: 176200 133.47 136.669 -15.8061 49.8403 58.1231 144.039 162.084 126.578 -31.0457 PRESSAVG: 176200 32.6944 0.225369 -35.8852 0.225349 -26.2239 43.1023 -35.8852 43.1024 -42.0408 GPRESSAVG: 176200 34.2403 1.05048 -36.1529 0.372057 -25.2384 42.6016 -33.3182 46.2267 -43.8294 TIMING: 176200 CPU: 520.937, 0.00295591/step Wall: 520.937, 0.00295591/step, 3.96075 hours remaining, 205.367188 MB of memory in use. ENERGY: 176200 757.6197 1991.8500 1942.4533 104.5797 -206382.5262 18066.5950 0.0000 0.0000 34214.6204 -149304.8080 298.8048 -183519.4285 -149209.0906 298.4168 22.1516 53.5157 557089.7929 -11.8568 -11.6092 LDB: ============= START OF LOAD BALANCING ============== 524.364 LDB: ============== END OF LOAD BALANCING =============== 524.364 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 524.366 LDB: ============= START OF LOAD BALANCING ============== 524.661 LDB: Largest compute 4848 load 0.029436 is 25.0% of average load 0.117791 LDB: Average compute 0.001737 is 1.5% of average load 0.117791 LDB: TIME 524.663 LOAD: AVG 0.117791 MAX 0.196818 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.727 MB LDB: TIME 524.663 LOAD: AVG 0.117791 MAX 0.196819 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.77 MB LDB: TIME 524.663 LOAD: AVG 0.117791 MAX 0.196819 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 524.665 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 524.669 PRESSURE: 176400 18.3857 -24.043 74.4121 -24.041 -102.624 -3.33431 74.4114 -3.33419 155.824 GPRESSURE: 176400 9.43817 -64.6354 135.566 -8.22865 -47.2209 11.5513 27 -12.9904 203.099 PRESSAVG: 176400 -60.8655 32.1081 -16.4606 32.1082 -4.01831 43.565 -16.4606 43.565 32.7886 GPRESSAVG: 176400 -60.1851 32.2871 -16.9664 33.4297 -5.59168 42.6434 -15.8597 40.5527 33.8106 TIMING: 176400 CPU: 521.54, 0.00301569/step Wall: 521.54, 0.00301569/step, 4.04069 hours remaining, 203.757812 MB of memory in use. ENERGY: 176400 701.9563 2064.8201 1917.9764 116.6623 -206096.1901 17790.2749 0.0000 0.0000 34271.5307 -149232.9694 299.3018 -183504.5001 -149137.9456 298.8166 23.8619 55.1055 556423.6760 -10.6984 -10.6554 PRESSURE: 176600 -192.315 -11.0122 -47.6117 -11.0128 133.031 88.2327 -47.6114 88.235 138.466 GPRESSURE: 176600 -158.433 29.5132 34.9289 37.9928 153.256 36.6699 30.3766 92.5723 174.617 PRESSAVG: 176600 -49.3236 -24.9253 9.65727 -24.9254 50.8205 -18.2267 9.65721 -18.2267 0.156664 GPRESSAVG: 176600 -50.9549 -25.8096 10.9454 -23.9278 50.9335 -16.2172 9.68499 -17.2592 1.1706 TIMING: 176600 CPU: 522.136, 0.00298249/step Wall: 522.136, 0.00298249/step, 3.99604 hours remaining, 203.757812 MB of memory in use. ENERGY: 176600 731.7513 2014.7191 1943.3563 112.8862 -206297.0389 17773.8783 0.0000 0.0000 34372.4520 -149347.9957 300.1832 -183720.4477 -149247.6013 299.6718 26.3941 56.4802 556594.2219 0.5512 0.3831 PRESSURE: 176800 -61.9588 -42.0656 53.5411 -42.0645 -194.29 -86.9254 53.5414 -86.9256 -221.653 GPRESSURE: 176800 -8.70789 -24.3264 101.938 -65.3218 -260.619 -87.5258 -29.8493 10.3046 -132.351 PRESSAVG: 176800 -18.3759 -64.1399 0.498507 -64.1399 14.1317 -33.8737 0.498517 -33.8737 -1.26279 GPRESSAVG: 176800 -18.5521 -62.9457 -0.434817 -64.0774 14.1163 -34.7926 0.35692 -33.947 -0.939684 TIMING: 176800 CPU: 522.727, 0.00295199/step Wall: 522.727, 0.00295199/step, 3.95501 hours remaining, 203.757812 MB of memory in use. ENERGY: 176800 729.8367 2097.8298 1954.6263 108.8735 -205985.8432 17625.4061 0.0000 0.0000 33998.0829 -149471.1880 296.9137 -183469.2709 -149376.6817 298.4226 -159.3006 -133.8927 557435.7535 -1.8356 -1.7918 PRESSURE: 177000 -19.7874 -3.46627 55.8619 -3.46509 123.216 -77.5249 55.8612 -77.5253 230.485 GPRESSURE: 177000 59.6001 -2.53657 47.9491 -76.7398 156.69 -132.95 41.5979 43.463 212.839 PRESSAVG: 177000 40.8775 -22.7077 15.1626 -22.7076 -13.048 -6.04309 15.1624 -6.0431 -22.0924 GPRESSAVG: 177000 40.6166 -23.5163 16.9317 -22.0026 -11.8801 -4.48979 14.4728 -4.92822 -22.7823 TIMING: 177000 CPU: 523.315, 0.00294309/step Wall: 523.315, 0.00294309/step, 3.94292 hours remaining, 203.757812 MB of memory in use. ENERGY: 177000 744.6754 2076.2639 1953.3882 124.0444 -206773.1696 18137.3067 0.0000 0.0000 34178.4363 -149559.0548 298.4888 -183737.4911 -149457.7940 297.5888 111.3046 143.0431 557402.7015 1.9124 1.9847 PRESSURE: 177200 43.7371 10.0794 42.4433 10.0785 7.33842 -40.1357 42.4423 -40.1337 101.936 GPRESSURE: 177200 50.6635 86.0001 99.3612 -30.1492 7.26427 -48.4207 -22.7797 -84.2304 188.032 PRESSAVG: 177200 -45.0093 26.1177 -82.8585 26.1177 1.15866 28.9234 -82.8585 28.9233 35.3799 GPRESSAVG: 177200 -46.1423 26.8023 -84.0066 25.0324 2.45637 28.7492 -83.3607 30.951 35.0533 TIMING: 177200 CPU: 523.907, 0.00295659/step Wall: 523.907, 0.00295659/step, 3.96084 hours remaining, 203.757812 MB of memory in use. ENERGY: 177200 735.0259 2055.6763 1952.5964 106.1793 -206649.9875 18113.7197 0.0000 0.0000 34132.7909 -149553.9988 298.0902 -183686.7898 -149454.6741 297.9609 51.0038 81.9866 558344.6899 -2.8236 -2.8776 PRESSURE: 177400 151.166 6.86976 83.8032 6.8705 76.1643 306.335 83.8025 306.334 163.233 GPRESSURE: 177400 188.256 -78.1049 72.3153 -43.5495 67.2969 386.23 64.6671 289.52 234.016 PRESSAVG: 177400 23.6832 86.5165 4.53963 86.5165 21.3338 2.40581 4.53967 2.40571 -23.1656 GPRESSAVG: 177400 24.4572 86.6822 5.38208 86.7713 19.3343 2.00584 3.60887 1.54586 -21.8517 TIMING: 177400 CPU: 524.493, 0.00293121/step Wall: 524.493, 0.00293121/step, 3.92669 hours remaining, 203.757812 MB of memory in use. ENERGY: 177400 747.2318 2052.8633 1958.8084 118.7401 -206691.6584 17987.9805 0.0000 0.0000 34333.0544 -149492.9800 299.8391 -183826.0344 -149397.0443 298.3633 130.1877 163.1898 556386.7199 7.2838 7.3133 PRESSURE: 177600 6.81097 -2.23574 -41.7413 -2.23609 -140.393 -10.6309 -41.7422 -10.6315 3.65452 GPRESSURE: 177600 37.5399 83.6205 -42.8975 -104.746 -100.131 40.9053 -17.5297 7.5957 12.5838 PRESSAVG: 177600 44.8387 -33.8611 -24.9126 -33.8611 2.59424 -3.37651 -24.9127 -3.37644 -27.6612 GPRESSAVG: 177600 44.8772 -33.6627 -26.2578 -33.8119 3.24978 -2.73441 -23.6476 -4.72849 -28.5414 TIMING: 177600 CPU: 525.081, 0.00294129/step Wall: 525.081, 0.00294129/step, 3.94001 hours remaining, 203.757812 MB of memory in use. ENERGY: 177600 763.3110 2053.8389 1958.7440 118.8698 -206538.7945 17863.7977 0.0000 0.0000 34249.6870 -149530.5461 299.1110 -183780.2331 -149434.0319 299.0554 -43.3090 -16.6690 559009.0041 6.5906 6.5285 PRESSURE: 177800 31.081 34.2918 25.5209 34.2927 -356.898 146.297 25.5205 146.299 -73.0055 GPRESSURE: 177800 84.6111 -16.395 -18.1483 77.9437 -261.986 115.526 -9.07689 89.4379 -137.435 PRESSAVG: 177800 78.1795 -24.7312 54.66 -24.7312 -67.6569 30.8221 54.6599 30.8222 -53.7393 GPRESSAVG: 177800 77.7455 -23.0486 54.5297 -26.3283 -67.99 28.5127 53.4661 31.5198 -52.7333 TIMING: 177800 CPU: 525.667, 0.00292918/step Wall: 525.667, 0.00292918/step, 3.92364 hours remaining, 203.812500 MB of memory in use. ENERGY: 177800 763.5478 2086.2253 1959.6634 100.2199 -206142.9504 17711.1301 0.0000 0.0000 33994.9902 -149527.1737 296.8867 -183522.1640 -149440.3251 298.6926 -132.9410 -104.9366 559182.1415 -14.4056 -14.3259 PRESSURE: 178000 -151.043 -27.3646 78.5066 -27.3654 8.79275 165.826 78.5084 165.827 -387.623 GPRESSURE: 178000 -144.519 0.557986 81.1324 -57.9505 55.8708 191.848 55.6292 155.382 -336.771 PRESSAVG: 178000 -8.95968 -12.159 34.4069 -12.159 5.38714 -17.4537 34.4069 -17.4537 -30.231 GPRESSAVG: 178000 -8.92132 -13.7969 32.1957 -9.55169 5.85101 -15.6966 37.5874 -17.5996 -30.0948 TIMING: 178000 CPU: 526.254, 0.00293438/step Wall: 526.254, 0.00293438/step, 3.93044 hours remaining, 203.812500 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: 178000 730.4490 2118.9691 1916.3697 107.9344 -206157.7917 17677.7686 0.0000 0.0000 34008.2007 -149598.1002 297.0021 -183606.3009 -149502.2754 298.2128 -176.6244 -141.8064 559557.6957 -11.2678 -11.0550 PRESSURE: 178200 2.67372 54.9595 -28.2874 54.9585 -20.5714 -0.754093 -28.2876 -0.752947 -55.5389 GPRESSURE: 178200 14.0784 14.8728 -67.8928 150.118 38.4495 45.4427 16.9347 15.3907 -31.3681 PRESSAVG: 178200 39.9764 6.68573 58.8273 6.68564 -20.2592 0.453908 58.8273 0.453801 -47.3104 GPRESSAVG: 178200 40.7483 6.15729 62.4632 7.04707 -20.4473 -0.67237 54.7271 2.10091 -47.5779 TIMING: 178200 CPU: 526.838, 0.0029212/step Wall: 526.838, 0.0029212/step, 3.91262 hours remaining, 203.812500 MB of memory in use. ENERGY: 178200 755.8319 2074.9631 1956.5834 106.5626 -206788.7714 17951.1319 0.0000 0.0000 34194.8527 -149748.8459 298.6322 -183943.6986 -149652.2733 298.1354 -24.4789 7.0533 556967.3830 -9.1977 -9.0923 PRESSURE: 178400 -105.972 68.0211 231.725 68.0217 14.2247 -37.4012 231.725 -37.3998 211.749 GPRESSURE: 178400 -28.674 61.1972 205.332 71.2674 58.3856 -14.2847 253.698 -25.4581 187.329 PRESSAVG: 178400 53.2547 -8.63298 -0.681384 -8.63296 -63.1912 -21.0593 -0.681345 -21.0594 18.0348 GPRESSAVG: 178400 52.4075 -10.8572 -1.47773 -8.21594 -62.8395 -20.532 -1.61489 -21.2526 18.1686 TIMING: 178400 CPU: 527.422, 0.00292146/step Wall: 527.422, 0.00292146/step, 3.91281 hours remaining, 203.812500 MB of memory in use. ENERGY: 178400 724.4789 2010.5024 1952.1864 110.3685 -207075.8361 18021.2349 0.0000 0.0000 34397.6191 -149859.4459 300.4030 -184257.0651 -149765.6332 297.6733 40.0005 72.3468 555856.2652 2.6994 2.5789 PRESSURE: 178600 -125.743 -34.6971 94.9757 -34.6968 -314.993 97.4084 94.9762 97.4106 -74.3117 GPRESSURE: 178600 -91.4704 12.5133 70.1546 -57.8005 -267.624 152.144 103.366 116.256 -70.4321 PRESSAVG: 178600 3.48766 22.5658 65.3681 22.5659 -23.9456 1.32896 65.368 1.32887 -6.49945 GPRESSAVG: 178600 4.53713 22.844 65.5445 21.7642 -25.1754 1.24889 66.2709 0.495507 -6.17327 TIMING: 178600 CPU: 528.006, 0.00291859/step Wall: 528.006, 0.00291859/step, 3.9088 hours remaining, 203.812500 MB of memory in use. ENERGY: 178600 736.5273 2094.2280 1943.6082 111.7346 -206130.1170 17629.8454 0.0000 0.0000 33898.6702 -149715.5033 296.0455 -183614.1735 -149621.4836 297.8207 -171.6826 -143.1755 558197.3235 -8.9858 -8.9372 PRESSURE: 178800 -83.2929 -21.1622 52.072 -21.1619 -374.531 75.4597 52.073 75.4599 -131.632 GPRESSURE: 178800 -29.2061 -34.0943 11.4852 74.2424 -398.397 39.999 112.288 39.3375 -56.2894 PRESSAVG: 178800 -25.6487 1.37864 22.2377 1.37865 -3.69586 -8.34165 22.2378 -8.34161 11.0301 GPRESSAVG: 178800 -25.7458 2.41664 22.1095 -0.557136 -3.51929 -9.43436 21.8515 -8.50808 10.8969 TIMING: 178800 CPU: 528.594, 0.00294206/step Wall: 528.594, 0.00294206/step, 3.94007 hours remaining, 203.812500 MB of memory in use. ENERGY: 178800 751.8703 2072.5744 1952.0259 115.7894 -206514.6137 17603.1769 0.0000 0.0000 34303.8766 -149715.3002 299.5843 -184019.1768 -149613.3991 297.7372 -196.4854 -161.2975 555967.0408 -6.1048 -6.1227 PRESSURE: 179000 -215.854 -1.61311 78.3787 -1.61199 -26.6813 -69.2503 78.3774 -69.2505 -172.102 GPRESSURE: 179000 -211.46 24.2767 132.636 -43.3334 65.9968 -50.8468 -36.7185 -3.72027 -176.262 PRESSAVG: 179000 3.54119 13.8653 25.6334 13.8653 -12.5572 53.2332 25.6335 53.2332 35.3253 GPRESSAVG: 179000 1.70942 16.5705 24.2736 13.6648 -11.8464 53.742 27.4439 54.0999 35.9142 TIMING: 179000 CPU: 529.183, 0.0029404/step Wall: 529.183, 0.0029404/step, 3.93768 hours remaining, 203.812500 MB of memory in use. ENERGY: 179000 730.7264 2086.9954 1952.1062 106.6311 -206409.3593 17711.5328 0.0000 0.0000 34020.9517 -149800.4158 297.1134 -183821.3675 -149712.0001 297.4177 -138.2125 -107.2417 556173.7280 8.7698 8.5924 PRESSURE: 179200 24.0659 -167.036 62.052 -167.035 104.37 -0.710522 62.0524 -0.707587 -103.464 GPRESSURE: 179200 80.8078 -201.174 35.6554 -141.301 143.467 -55.1174 105.071 -16.7635 -98.4347 PRESSAVG: 179200 12.6173 42.3248 -12.3477 42.3248 10.9737 2.20376 -12.3477 2.20382 -32.2093 GPRESSAVG: 179200 14.0555 40.0947 -11.1885 43.9402 9.69459 1.43376 -14.7779 2.44923 -32.8085 TIMING: 179200 CPU: 529.768, 0.00292971/step Wall: 529.768, 0.00292971/step, 3.92321 hours remaining, 203.812500 MB of memory in use. ENERGY: 179200 710.4544 2114.7279 1962.6520 115.0293 -206392.1373 17724.4800 0.0000 0.0000 34080.1385 -149684.6552 297.6303 -183764.7937 -149585.1267 298.3207 8.3241 41.9468 556170.8981 -2.8727 -3.0195 PRESSURE: 179400 18.6133 24.9126 112.89 24.913 203.535 37.678 112.891 37.6771 133.112 GPRESSURE: 179400 88.0517 80.9305 115.519 26.8684 230.81 82.3036 106.812 20.779 115.434 PRESSAVG: 179400 -7.09258 3.79824 33.4171 3.79825 -28.7767 -61.4182 33.4171 -61.4183 -20.0347 GPRESSAVG: 179400 -7.95111 3.10937 32.7022 2.81351 -28.1721 -59.79 36.0011 -63.527 -20.0374 TIMING: 179400 CPU: 530.353, 0.00292242/step Wall: 530.353, 0.00292242/step, 3.91328 hours remaining, 204.015625 MB of memory in use. ENERGY: 179400 734.9792 2120.6946 1963.5071 109.5338 -206464.2395 17872.3257 0.0000 0.0000 34135.8507 -149527.3485 298.1169 -183663.1992 -149428.6837 298.8556 118.4198 144.7652 557477.2085 -18.6347 -18.7202 PRESSURE: 179600 134.907 -0.333006 -106.694 -0.334218 -70.0777 -14.9522 -106.693 -14.9523 96.294 GPRESSURE: 179600 195.265 -17.1428 -163.835 -35.8517 11.6833 62.3629 31.2926 -21.2502 59.0837 PRESSAVG: 179600 -30.7251 -16.3551 44.5351 -16.3551 50.6105 -27.5345 44.5352 -27.5343 25.8395 GPRESSAVG: 179600 -30.5986 -15.2663 44.9539 -15.6763 51.4147 -29.4394 45.3628 -27.1705 25.4748 TIMING: 179600 CPU: 530.942, 0.00294419/step Wall: 530.942, 0.00294419/step, 3.94228 hours remaining, 204.015625 MB of memory in use. ENERGY: 179600 693.7467 2154.7445 1989.5410 138.4684 -206324.9415 17739.1874 0.0000 0.0000 34277.0854 -149332.1681 299.3503 -183609.2535 -149238.6952 298.7002 53.7076 88.6774 556817.2292 15.2416 15.4303 PRESSURE: 179800 -327.722 -145.686 -7.56929 -145.686 -181.521 -60.4859 -7.57117 -60.4877 67.8148 GPRESSURE: 179800 -269.381 -112.853 50.4318 -198.713 -122.298 14.0317 -67.5573 -61.2688 45.9216 PRESSAVG: 179800 -54.4237 5.0417 27.9714 5.04174 12.8424 -3.38724 27.9714 -3.38718 21.5616 GPRESSAVG: 179800 -53.8863 5.32745 28.0169 6.05796 12.8654 -2.72528 26.9468 -3.28779 20.5076 TIMING: 179800 CPU: 531.531, 0.00294805/step Wall: 531.531, 0.00294805/step, 3.94727 hours remaining, 204.015625 MB of memory in use. ENERGY: 179800 751.2268 2089.3194 1959.0027 117.9144 -206332.8084 17745.3830 0.0000 0.0000 34181.8730 -149488.0890 298.5188 -183669.9620 -149391.0746 298.9115 -147.1425 -115.2526 557723.7219 -6.6732 -6.8378 PRESSURE: 180000 43.0759 -90.3818 -64.4023 -90.3819 198.242 53.8193 -64.4017 53.8183 190.496 GPRESSURE: 180000 60.2686 -62.0561 -112.842 -89.1966 217.403 139.157 -59.2346 26.5425 261.921 PRESSAVG: 180000 -62.842 5.26541 52.5129 5.26544 76.003 -10.3771 52.513 -10.377 12.4364 GPRESSAVG: 180000 -63.0464 5.20858 50.8586 4.03372 74.8317 -9.52792 53.224 -10.4021 14.3396 TIMING: 180000 CPU: 532.121, 0.00294827/step Wall: 532.121, 0.00294827/step, 3.9474 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: 180000 789.9583 2140.9547 1970.6394 111.9498 -206855.5985 18080.8089 0.0000 0.0000 34305.7798 -149455.5076 299.6009 -183761.2874 -149359.1791 299.3329 143.9383 179.8640 555363.0288 8.5325 8.7083 PRESSURE: 180200 -4.85084 -63.5714 65.5645 -63.5719 -70.0428 -179.065 65.5633 -179.065 1.20079 GPRESSURE: 180200 21.6219 -75.8807 -7.24077 -114.212 0.59812 -126.498 163.37 -166.554 17.9153 PRESSAVG: 180200 -25.6343 -25.6818 13.5042 -25.6818 -32.9659 -5.70311 13.5043 -5.70318 47.4193 GPRESSAVG: 180200 -26.0726 -28.3422 14.4194 -22.7442 -33.3287 -5.59516 12.7495 -5.318 48.5289 TIMING: 180200 CPU: 532.718, 0.00298674/step Wall: 532.718, 0.00298674/step, 3.99875 hours remaining, 204.015625 MB of memory in use. ENERGY: 180200 712.8399 2106.0872 1973.7394 102.6094 -206429.1057 17813.7218 0.0000 0.0000 34292.2699 -149427.8382 299.4829 -183720.1081 -149327.8624 299.8234 -24.5643 13.3784 558706.9867 -3.7269 -3.6241 LDB: ============= START OF LOAD BALANCING ============== 536.143 LDB: ============== END OF LOAD BALANCING =============== 536.143 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 536.145 LDB: ============= START OF LOAD BALANCING ============== 536.44 LDB: Largest compute 4848 load 0.028847 is 24.5% of average load 0.117699 LDB: Average compute 0.001732 is 1.5% of average load 0.117699 LDB: TIME 536.442 LOAD: AVG 0.117699 MAX 0.19614 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 536.443 LOAD: AVG 0.117699 MAX 0.19614 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: TIME 536.443 LOAD: AVG 0.117699 MAX 0.19614 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.195 MB LDB: ============== END OF LOAD BALANCING =============== 536.445 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 536.449 PRESSURE: 180400 32.9697 120.597 80.503 120.598 -13.547 -83.4257 80.5043 -83.4246 -85.9076 GPRESSURE: 180400 29.1491 132.232 127.617 122.748 62.306 -111.422 30.381 -83.0417 -61.7432 PRESSAVG: 180400 14.8041 19.0841 26.1645 19.0842 -56.1993 13.7148 26.1646 13.7148 42.5847 GPRESSAVG: 180400 15.3621 20.9395 27.2279 15.4109 -55.8186 15.0108 25.3646 11.8082 40.9576 TIMING: 180400 CPU: 533.319, 0.00300522/step Wall: 533.319, 0.00300522/step, 4.02333 hours remaining, 203.925781 MB of memory in use. ENERGY: 180400 753.4956 2057.7067 1942.9912 107.4628 -206511.3403 17932.3087 0.0000 0.0000 34322.6327 -149394.7427 299.7481 -183717.3754 -149295.9939 298.4877 -22.1616 9.9040 559195.1723 0.3965 0.1671 PRESSURE: 180600 168.819 38.6905 15.7771 38.69 96.2199 -55.3122 15.7786 -55.312 123.805 GPRESSURE: 180600 173.404 98.871 -2.91152 41.8653 123.72 -30.0675 43.609 -86.1084 194.573 PRESSAVG: 180600 49.7521 4.68305 47.0843 4.68319 -44.566 -15.5111 47.0844 -15.5111 -5.7248 GPRESSAVG: 180600 49.0517 5.23916 45.2312 4.67218 -43.6567 -15.0253 48.8159 -15.2965 -6.09918 TIMING: 180600 CPU: 533.913, 0.00297026/step Wall: 533.913, 0.00297026/step, 3.97635 hours remaining, 204.128906 MB of memory in use. ENERGY: 180600 735.5441 2072.6126 1959.5745 115.5641 -206711.3148 18040.7759 0.0000 0.0000 34529.8168 -149257.4269 301.5575 -183787.2436 -149165.5259 298.6518 129.6147 163.8991 557195.9061 -0.1796 -0.2347 PRESSURE: 180800 29.5059 226.165 -84.2379 226.166 -104.07 144.477 -84.2385 144.478 -43.0121 GPRESSURE: 180800 20.0977 120.288 -14.2639 246.192 -18.6322 133.182 -109.64 109.111 -2.11779 PRESSAVG: 180800 -28.1702 -0.0672224 -6.87508 -0.0671815 -1.62303 -1.57749 -6.87511 -1.57753 22.5663 GPRESSAVG: 180800 -28.3784 -1.86843 -5.48333 0.595899 -2.50516 -2.26406 -11.034 -0.215147 23.6937 TIMING: 180800 CPU: 534.507, 0.00296552/step Wall: 534.507, 0.00296552/step, 3.96985 hours remaining, 204.128906 MB of memory in use. ENERGY: 180800 771.1265 2090.2683 1966.8675 122.5187 -206637.5974 18138.8585 0.0000 0.0000 34355.8981 -149192.0599 300.0386 -183547.9580 -149099.1087 299.3379 -39.1921 -0.2174 558969.4614 -2.4090 -2.3966 PRESSURE: 181000 287.796 -92.3714 40.5784 -92.3723 -53.586 -37.357 40.5787 -37.3576 355.983 GPRESSURE: 181000 346.785 -110.512 114.509 -52.9435 7.7648 17.4485 -52.6529 -16.0267 340.674 PRESSAVG: 181000 -6.11557 15.3921 -5.89064 15.3921 -15.2226 13.626 -5.89069 13.6259 28.8478 GPRESSAVG: 181000 -4.99018 17.1324 -6.77664 16.0193 -14.935 14.4922 -4.37793 11.694 27.2324 TIMING: 181000 CPU: 535.097, 0.00295453/step Wall: 535.097, 0.00295453/step, 3.95496 hours remaining, 204.128906 MB of memory in use. ENERGY: 181000 683.6094 2129.7254 1944.5281 115.8794 -206510.3753 18063.2862 0.0000 0.0000 34235.2758 -149338.0710 298.9852 -183573.3468 -149236.0798 299.6566 196.7311 231.7412 558441.2804 2.5032 2.4357 PRESSURE: 181200 391.259 -136.96 -169.196 -136.96 260.477 -172.138 -169.196 -172.14 194.609 GPRESSURE: 181200 353.509 -163.36 -167.048 -101.241 308.462 -185.471 -239.943 -111.86 281.063 PRESSAVG: 181200 -6.18615 34.0589 -23.8696 34.0589 -25.7089 14.5124 -23.8697 14.5124 27.9478 GPRESSAVG: 181200 -6.82993 35.9259 -22.9493 33.3692 -25.366 12.8209 -22.8442 17.0097 28.1627 TIMING: 181200 CPU: 535.687, 0.00294557/step Wall: 535.687, 0.00294557/step, 3.9428 hours remaining, 204.128906 MB of memory in use. ENERGY: 181200 738.1591 2124.9570 1952.9128 109.1732 -206808.0304 18215.5856 0.0000 0.0000 34424.7634 -149242.4792 300.6400 -183667.2426 -149149.6119 299.4290 282.1150 314.3446 554871.1399 -1.3158 -1.3444 PRESSURE: 181400 -43.0371 -101.375 -120.138 -101.374 -24.2898 12.3323 -120.138 12.3319 -542.526 GPRESSURE: 181400 -82.8298 -129.837 -93.4653 -97.9267 32.566 4.57609 -156.611 45.9177 -467.846 PRESSAVG: 181400 -43.7666 52.8518 -14.8139 52.8518 56.0336 32.6573 -14.8138 32.6573 -2.01888 GPRESSAVG: 181400 -43.7992 50.4721 -15.023 55.9331 55.4046 31.6873 -14.566 33.0299 -1.18331 TIMING: 181400 CPU: 536.277, 0.00295343/step Wall: 536.277, 0.00295343/step, 3.95317 hours remaining, 204.128906 MB of memory in use. ENERGY: 181400 767.6820 2120.5162 1964.9890 121.0128 -206196.8283 17675.9475 0.0000 0.0000 34172.1942 -149374.4866 298.4343 -183546.6808 -149284.9059 299.5394 -203.2841 -172.7034 557761.6607 3.4160 3.4740 PRESSURE: 181600 -59.4321 -69.3278 -46.2318 -69.3267 -164.376 -13.4253 -46.2314 -13.428 292.954 GPRESSURE: 181600 -26.3048 -35.5616 -105.238 -73.1649 -172.156 7.76901 3.47128 -24.5567 369.906 PRESSAVG: 181600 -13.7845 47.5691 -7.2173 47.569 -26.934 61.9395 -7.2173 61.9396 -4.52599 GPRESSAVG: 181600 -13.0272 47.2289 -8.0414 44.5073 -25.6855 64.353 -7.27762 61.6565 -5.64746 TIMING: 181600 CPU: 536.87, 0.00296357/step Wall: 536.87, 0.00296357/step, 3.96657 hours remaining, 204.128906 MB of memory in use. ENERGY: 181600 756.7908 2095.2714 1980.9002 112.8679 -206879.2855 18174.7536 0.0000 0.0000 34413.9164 -149344.7853 300.5453 -183758.7017 -149240.3612 298.9565 23.0485 57.1485 558134.7202 -15.0815 -14.7867 PRESSURE: 181800 -43.1019 -65.3216 93.4361 -65.3214 64.985 -192.915 93.4374 -192.916 87.3545 GPRESSURE: 181800 4.5238 -51.5619 22.8152 7.23642 151.589 -158.831 182.072 -196.969 47.3375 PRESSAVG: 181800 -38.4461 -16.9002 40.0257 -16.9002 -20.1567 9.62687 40.0256 9.62692 56.2482 GPRESSAVG: 181800 -39.0246 -15.3392 41.5902 -16.0804 -21.2602 9.43539 40.5595 8.43479 57.622 TIMING: 181800 CPU: 537.471, 0.00300466/step Wall: 537.471, 0.00300466/step, 4.02141 hours remaining, 204.128906 MB of memory in use. ENERGY: 181800 735.8933 2190.7229 1977.9072 109.2180 -206503.5729 17948.2971 0.0000 0.0000 34238.5976 -149302.9368 299.0142 -183541.5344 -149206.0495 299.0788 36.4125 67.8168 558887.4843 -0.7849 -0.8876 PRESSURE: 182000 98.135 80.2367 -81.8755 80.2359 -36.1144 155.12 -81.8759 155.122 -72.6286 GPRESSURE: 182000 36.1378 34.0578 -112.303 185.789 66.7798 113.872 -140.022 135.457 -15.5397 PRESSAVG: 182000 -100.619 -11.8279 14.0874 -11.8279 22.6162 -7.28661 14.0875 -7.2866 60.8416 GPRESSAVG: 182000 -100.914 -12.5893 11.6123 -11.93 23.3269 -8.75343 15.7537 -5.68134 60.692 TIMING: 182000 CPU: 538.064, 0.00296629/step Wall: 538.064, 0.00296629/step, 3.96988 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: 182000 755.6407 2100.3045 1979.0771 126.0984 -206328.5607 17924.8984 0.0000 0.0000 34172.0464 -149270.4952 298.4330 -183442.5416 -149176.6913 299.6439 -3.5360 29.1260 558204.8282 -5.7204 -5.6317 PRESSURE: 182200 0.308857 177.165 -175.302 177.166 178.785 -10.9049 -175.303 -10.9068 116.974 GPRESSURE: 182200 85.4889 55.0628 -124.18 206.973 144.34 48.4824 -188.514 -3.12237 158.655 PRESSAVG: 182200 -14.983 46.4224 -53.5265 46.4223 61.493 18.8256 -53.5265 18.8255 20.2199 GPRESSAVG: 182200 -13.1569 47.5097 -50.2653 45.6921 60.25 20.0783 -54.8823 16.5713 19.2895 TIMING: 182200 CPU: 538.653, 0.00294239/step Wall: 538.653, 0.00294239/step, 3.93774 hours remaining, 204.378906 MB of memory in use. ENERGY: 182200 759.8633 2082.2786 1944.1938 108.9436 -206601.1779 18022.6786 0.0000 0.0000 34460.6641 -149222.5560 300.9536 -183683.2201 -149129.7875 299.0616 98.6894 129.4949 556112.9790 22.2433 22.1275 PRESSURE: 182400 -16.0834 -27.0282 -29.8059 -27.0276 64.6162 90.831 -29.8053 90.8292 102.4 GPRESSURE: 182400 44.1594 -71.5511 -15.4208 37.7482 74.1425 29.6144 -13.3618 130.054 125.169 PRESSAVG: 182400 -73.3008 53.8801 -6.22948 53.8802 5.94963 12.2352 -6.22952 12.2352 0.858234 GPRESSAVG: 182400 -74.2107 53.0096 -6.51423 53.1243 7.79587 13.2837 -5.43684 14.9791 -0.0565378 TIMING: 182400 CPU: 539.242, 0.00294822/step Wall: 539.242, 0.00294822/step, 3.94538 hours remaining, 204.378906 MB of memory in use. ENERGY: 182400 743.5923 2112.0334 1965.0338 113.9902 -206129.3987 17918.1808 0.0000 0.0000 34276.8639 -148999.7043 299.3484 -183276.5683 -148906.8461 299.5697 50.3111 81.1571 557783.3593 -22.1643 -22.1571 PRESSURE: 182600 17.1252 -55.3333 -55.735 -55.3332 21.8346 7.97061 -55.7351 7.97088 -145.434 GPRESSURE: 182600 78.4879 3.11162 -41.0587 -51.9343 38.7488 -56.0886 -124.597 87.6523 -129.402 PRESSAVG: 182600 -15.0213 -51.1019 1.59667 -51.1019 13.5889 -17.41 1.5968 -17.4101 -12.2076 GPRESSAVG: 182600 -15.417 -50.686 0.544761 -50.8024 12.5388 -17.8493 -0.629055 -19.5848 -11.1211 TIMING: 182600 CPU: 539.834, 0.00295608/step Wall: 539.834, 0.00295608/step, 3.95572 hours remaining, 204.378906 MB of memory in use. ENERGY: 182600 749.6373 2147.2840 1954.4742 108.3666 -205926.9071 17734.9131 0.0000 0.0000 34124.3787 -149107.8531 298.0167 -183232.2318 -149004.4798 299.6941 -35.4912 -4.0550 558009.8088 -4.5467 -4.6664 PRESSURE: 182800 175.6 115.035 56.1704 115.035 48.1358 -160.39 56.1708 -160.39 113.619 GPRESSURE: 182800 227.872 158.209 28.4549 139.544 6.43057 -249.036 88.9596 -44.7568 201.783 PRESSAVG: 182800 17.832 16.9731 -2.71414 16.9732 -43.9955 5.85241 -2.71413 5.8524 30.0075 GPRESSAVG: 182800 17.5935 17.5621 -2.5482 16.7954 -42.7869 4.79163 -0.521257 6.42714 29.3237 TIMING: 182800 CPU: 540.423, 0.00294784/step Wall: 540.423, 0.00294784/step, 3.94454 hours remaining, 204.378906 MB of memory in use. ENERGY: 182800 777.5019 2101.6344 1963.6495 122.4203 -206444.8240 18028.8452 0.0000 0.0000 34530.7051 -148920.0676 301.5652 -183450.7727 -148826.2837 299.2779 112.4515 145.3618 557778.3331 1.2813 1.3768 PRESSURE: 183000 -361.973 37.9946 168.519 37.9957 255.119 27.9812 168.518 27.9817 -55.4092 GPRESSURE: 183000 -312.703 31.1609 52.8993 39.1814 298.039 61.2443 221.732 9.13518 -39.4202 PRESSAVG: 183000 -47.0536 -5.69069 -13.7363 -5.69068 13.7401 -26.6091 -13.7364 -26.6091 23.3929 GPRESSAVG: 183000 -47.233 -7.02708 -16.9324 -4.85827 13.9878 -25.4616 -12.1648 -25.8961 22.8266 TIMING: 183000 CPU: 541.012, 0.00294387/step Wall: 541.012, 0.00294387/step, 3.93906 hours remaining, 204.378906 MB of memory in use. ENERGY: 183000 761.0721 2111.9605 1991.5690 122.1834 -206047.2481 17733.7377 0.0000 0.0000 34423.5533 -148903.1720 300.6295 -183326.7254 -148809.1119 299.2866 -54.0875 -18.0282 557419.8693 -3.3068 -3.4729 PRESSURE: 183200 89.9175 -27.5623 -36.531 -27.5642 -301.884 -174.862 -36.5317 -174.864 -267.512 GPRESSURE: 183200 135.005 -59.9393 -93.1616 -58.3998 -263.733 -149.043 -73.6686 -196.801 -243.807 PRESSAVG: 183200 26.0836 -34.1406 -47.1833 -34.1405 -32.4192 -22.396 -47.1833 -22.3961 3.40977 GPRESSAVG: 183200 26.1828 -34.1342 -45.2301 -33.3014 -32.6559 -24.1293 -49.4144 -22.9046 3.2399 TIMING: 183200 CPU: 541.603, 0.00295643/step Wall: 541.603, 0.00295643/step, 3.9557 hours remaining, 204.378906 MB of memory in use. ENERGY: 183200 788.0352 2106.2843 1965.6921 109.7725 -205642.6798 17489.2578 0.0000 0.0000 34415.8626 -148767.7751 300.5623 -183183.6377 -148670.4086 300.0858 -159.8261 -124.1782 558269.1592 -0.9753 -1.0777 PRESSURE: 183400 3.58303 -72.3471 -96.6003 -72.3463 185.553 27.4643 -96.5992 27.466 150.984 GPRESSURE: 183400 22.883 8.00899 -58.8412 -78.8874 217.989 53.2662 -117.428 -39.0464 186.1 PRESSAVG: 183400 -11.7575 3.2476 16.0944 3.24758 -46.875 -25.3591 16.0944 -25.3589 33.6247 GPRESSAVG: 183400 -12.1352 5.37985 17.4887 2.0972 -47.206 -23.7312 13.2779 -25.9694 34.4219 TIMING: 183400 CPU: 542.194, 0.00295253/step Wall: 542.194, 0.00295253/step, 3.95032 hours remaining, 204.378906 MB of memory in use. ENERGY: 183400 766.3095 2122.4054 1992.9188 114.3909 -205827.6164 17684.1455 0.0000 0.0000 34348.3858 -148799.0605 299.9730 -183147.4463 -148698.2619 300.5528 113.3732 142.3242 555414.5837 -8.3359 -8.3064 PRESSURE: 183600 -185.92 -75.9439 -61.7321 -75.9436 175.292 -74.2471 -61.7316 -74.2466 121.484 GPRESSURE: 183600 -197.35 -20.7696 -55.0799 -132.33 263.066 -51.1668 -37.6782 -84.2536 155.241 PRESSAVG: 183600 -8.04932 1.18593 12.7641 1.1859 5.75805 -19.7617 12.7641 -19.7616 10.393 GPRESSAVG: 183600 -7.98898 0.539265 10.9217 2.10099 6.35562 -21.563 14.9752 -18.7912 10.228 TIMING: 183600 CPU: 542.787, 0.00296453/step Wall: 542.787, 0.00296453/step, 3.96621 hours remaining, 204.378906 MB of memory in use. ENERGY: 183600 750.6770 2123.3955 1934.2048 99.3675 -205797.5315 17719.3604 0.0000 0.0000 34346.0304 -148824.4959 299.9524 -183170.5263 -148732.4842 300.0515 36.9518 73.6527 556058.7941 2.7006 2.8649 PRESSURE: 183800 -197.33 -186.953 123.566 -186.954 -32.9164 167.655 123.567 167.653 -124.883 GPRESSURE: 183800 -103.443 -270.586 36.6845 -152.87 -48.5899 194.103 135.653 119.995 -92.7628 PRESSAVG: 183800 14.8964 -16.3005 12.9826 -16.3005 2.87097 25.1546 12.9825 25.1546 1.65678 GPRESSAVG: 183800 14.9049 -18.7655 15.476 -16.964 2.02557 26.8591 13.1351 23.0162 2.70366 TIMING: 183800 CPU: 543.38, 0.00296776/step Wall: 543.38, 0.00296776/step, 3.97036 hours remaining, 204.378906 MB of memory in use. ENERGY: 183800 756.0353 2110.7183 1975.0700 115.1154 -205567.6130 17452.4997 0.0000 0.0000 34307.7953 -148850.3791 299.6185 -183158.1744 -148751.2085 300.4825 -118.3764 -81.5984 557716.3276 6.4747 6.5447 PRESSURE: 184000 -244.012 9.48603 -25.6776 9.48629 -122.524 -30.5728 -25.6778 -30.5725 -119.057 GPRESSURE: 184000 -229.43 -32.0616 -109.317 19.1129 -29.5305 60.8256 -23.5776 -110.402 -129.263 PRESSAVG: 184000 1.96211 24.8646 -7.79126 24.8645 -13.1746 4.26885 -7.79122 4.26887 12.0966 GPRESSAVG: 184000 2.03976 26.1983 -9.53018 24.4697 -12.4484 0.968065 -8.0529 6.94724 11.601 TIMING: 184000 CPU: 543.971, 0.00295424/step Wall: 543.971, 0.00295424/step, 3.95211 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: 184000 760.7762 2110.1063 1966.5426 107.7762 -205536.7049 17332.2319 0.0000 0.0000 34341.8097 -148917.4619 299.9156 -183259.2717 -148814.0217 299.8641 -161.8642 -129.4079 557168.8887 0.2947 0.3975 PRESSURE: 184200 -182.494 -37.1664 -12.4994 -37.1664 -116.02 -4.09319 -12.4985 -4.09296 18.5532 GPRESSURE: 184200 -175.737 -42.8354 -67.2868 -44.8722 -100.778 53.9006 71.4054 -57.109 90.8281 PRESSAVG: 184200 -143.307 -20.6772 59.3571 -20.6773 119.073 -31.2176 59.3571 -31.2176 52.4285 GPRESSAVG: 184200 -143.898 -23.0945 59.1241 -19.0747 119.951 -28.2154 58.9942 -31.8591 51.9377 TIMING: 184200 CPU: 544.563, 0.00296238/step Wall: 544.563, 0.00296238/step, 3.96284 hours remaining, 204.378906 MB of memory in use. ENERGY: 184200 742.7883 2139.8422 1950.6901 103.9735 -205715.3252 17475.8921 0.0000 0.0000 34389.1562 -148912.9828 300.3291 -183302.1390 -148810.8884 300.1600 -93.3202 -61.8958 558254.4339 9.3983 9.3302 LDB: ============= START OF LOAD BALANCING ============== 547.992 LDB: ============== END OF LOAD BALANCING =============== 547.992 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 547.994 LDB: ============= START OF LOAD BALANCING ============== 548.291 LDB: Largest compute 4848 load 0.028380 is 24.1% of average load 0.117710 LDB: Average compute 0.001738 is 1.5% of average load 0.117710 LDB: TIME 548.293 LOAD: AVG 0.11771 MAX 0.197152 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.371 MB LDB: TIME 548.293 LOAD: AVG 0.11771 MAX 0.197152 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.371 MB LDB: TIME 548.293 LOAD: AVG 0.11771 MAX 0.197152 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.371 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 548.295 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 548.299 PRESSURE: 184400 -536.097 -112.246 44.5477 -112.246 92.2188 -97.2695 44.5476 -97.2698 -220.043 GPRESSURE: 184400 -471.392 -103.505 112.129 -94.0323 74.13 -68.4556 46.9481 -87.4746 -152.702 PRESSAVG: 184400 -140.215 -9.2088 17.3474 -9.20872 56.5006 -30.8808 17.3474 -30.8808 62.5409 GPRESSAVG: 184400 -139.49 -7.62717 18.4991 -11.8751 56.3919 -32.1322 17.6519 -29.6601 61.9337 TIMING: 184400 CPU: 545.17, 0.00303117/step Wall: 545.17, 0.00303117/step, 4.0547 hours remaining, 203.343750 MB of memory in use. ENERGY: 184400 719.7278 2087.8402 1940.5428 127.9765 -205583.5679 17479.9416 0.0000 0.0000 34216.0232 -149011.5156 298.8170 -183227.5388 -148910.2762 300.2719 -221.3072 -183.3213 559888.1454 -7.0580 -7.0547 PRESSURE: 184600 -297.558 191.853 -53.7846 191.852 -205.716 13.5877 -53.7852 13.5874 -60.021 GPRESSURE: 184600 -239.432 229.215 -37.6093 177.206 -183.596 31.7939 -50.1724 -62.9803 -31.9786 PRESSAVG: 184600 -47.5621 -10.9304 24.3455 -10.9304 25.8595 -7.97493 24.3456 -7.9749 42.6346 GPRESSAVG: 184600 -46.455 -13.0204 24.2426 -8.17662 24.7379 -8.05898 24.9241 -8.61164 43.1795 TIMING: 184600 CPU: 545.762, 0.00296046/step Wall: 545.762, 0.00296046/step, 3.95995 hours remaining, 203.343750 MB of memory in use. ENERGY: 184600 761.0890 2122.5498 1947.3801 118.2125 -205676.0553 17533.2900 0.0000 0.0000 34243.9921 -148949.5417 299.0613 -183193.5338 -148842.1677 299.3966 -187.7651 -151.6687 559029.3577 6.9773 7.1541 PRESSURE: 184800 -204.594 -21.5069 75.4489 -21.5087 -237.11 -168.122 75.4483 -168.122 87.7328 GPRESSURE: 184800 -215.714 -145.733 143.041 81.9478 -197.292 -92.1309 132.241 -209.847 153.517 PRESSAVG: 184800 -10.7304 -39.7477 -3.17635 -39.7477 4.15933 -21.6879 -3.17634 -21.6881 27.2549 GPRESSAVG: 184800 -10.9207 -37.5433 -3.48862 -39.8586 4.57542 -20.2918 -3.45718 -23.914 27.102 TIMING: 184800 CPU: 546.352, 0.00295072/step Wall: 546.352, 0.00295072/step, 3.94675 hours remaining, 203.343750 MB of memory in use. ENERGY: 184800 738.8687 2116.5431 1947.5944 116.3860 -205472.8973 17487.4968 0.0000 0.0000 34274.5314 -148791.4770 299.3280 -183066.0083 -148691.2316 299.7414 -117.9904 -86.4962 560141.8350 6.8946 6.9189 PRESSURE: 185000 -104.18 -143.714 -18.2697 -143.714 187.628 -148.126 -18.2696 -148.126 -104.366 GPRESSURE: 185000 -23.195 -121.293 -35.8183 -137.048 172.842 -194.531 2.38505 -67.9846 -77.5675 PRESSAVG: 185000 1.84161 -47.6644 8.49978 -47.6644 -21.2093 -57.1003 8.49968 -57.1002 17.2305 GPRESSAVG: 185000 1.61801 -47.1404 8.07826 -48.5891 -21.0283 -57.8767 9.14545 -55.2634 17.492 TIMING: 185000 CPU: 546.947, 0.00297566/step Wall: 546.947, 0.00297566/step, 3.97995 hours remaining, 203.343750 MB of memory in use. ENERGY: 185000 707.5462 2073.0637 1954.6429 112.0629 -205894.0962 17773.9888 0.0000 0.0000 34581.9279 -148690.8639 302.0126 -183272.7917 -148593.9435 300.5684 -6.9726 24.0265 559175.9707 -0.7124 -0.6394 PRESSURE: 185200 -2.88017 -205.057 72.2877 -205.057 60.6211 27.8608 72.2866 27.8603 65.5779 GPRESSURE: 185200 73.4988 -167.378 23.1938 -216.893 75.8319 83.4163 138.704 79.6882 64.4707 PRESSAVG: 185200 45.8236 19.0893 -19.3028 19.0893 -27.1973 5.56985 -19.3028 5.5699 -20.268 GPRESSAVG: 185200 44.1831 18.9651 -16.3341 19.2212 -27.0291 5.84396 -21.5174 3.97236 -19.2302 TIMING: 185200 CPU: 547.545, 0.00298776/step Wall: 547.545, 0.00298776/step, 3.99596 hours remaining, 203.343750 MB of memory in use. ENERGY: 185200 741.2286 2112.9130 1974.1067 115.5555 -206009.2070 17997.0308 0.0000 0.0000 34586.3885 -148481.9840 302.0515 -183068.3725 -148378.7547 300.6408 41.1063 71.2672 558836.4160 -0.5472 -0.6921 PRESSURE: 185400 127.5 42.1977 140.586 42.1984 83.0353 -46.3054 140.586 -46.3036 48.2717 GPRESSURE: 185400 133.598 42.5753 106.806 62.4633 96.6314 -20.4974 143.926 -65.5105 127.448 PRESSAVG: 185400 -7.00644 8.30753 -10.9956 8.30766 14.8853 32.629 -10.9956 32.6291 -31.8529 GPRESSAVG: 185400 -5.93332 7.23548 -14.6598 8.14217 14.9704 32.199 -8.3965 31.3565 -32.7451 TIMING: 185400 CPU: 548.138, 0.00296771/step Wall: 548.138, 0.00296771/step, 3.96899 hours remaining, 203.343750 MB of memory in use. ENERGY: 185400 772.6908 2122.3832 1962.7455 124.8904 -205732.4077 17977.3032 0.0000 0.0000 34360.3167 -148412.0778 300.0772 -182772.3945 -148321.0129 300.8111 86.2691 119.2260 558435.5190 -7.9913 -7.9026 PRESSURE: 185600 -258.925 3.86556 -71.4245 3.86442 14.9624 27.7747 -71.4237 27.7745 27.9959 GPRESSURE: 185600 -267.661 51.1169 -28.7928 -28.4802 30.9289 65.646 -30.7583 4.5261 111.008 PRESSAVG: 185600 -26.4755 -10.4655 -5.75282 -10.4655 45.5266 2.91809 -5.75279 2.9181 17.6168 GPRESSAVG: 185600 -27.1488 -10.4651 -4.61948 -10.2741 46.1744 3.98955 -7.04315 4.71126 17.6738 TIMING: 185600 CPU: 548.73, 0.00295702/step Wall: 548.73, 0.00295702/step, 3.95452 hours remaining, 203.343750 MB of memory in use. ENERGY: 185600 752.4866 2063.3141 1954.4273 124.1647 -205254.7555 17495.3990 0.0000 0.0000 34314.7573 -148550.2067 299.6793 -182864.9640 -148455.5951 301.7919 -71.9887 -41.9081 558859.8749 12.2226 12.2332 PRESSURE: 185800 67.9805 -119.168 39.3842 -119.167 -68.4818 -58.6961 39.3845 -58.6957 143.745 GPRESSURE: 185800 97.1624 28.1121 -30.6404 -140.603 -24.2637 -80.6514 -16.0986 -108.978 168.676 PRESSAVG: 185800 -28.8587 12.292 -12.5797 12.292 -16.9911 -10.968 -12.5797 -10.968 25.6377 GPRESSAVG: 185800 -28.8847 12.7186 -12.6952 11.972 -17.0774 -11.5857 -13.3906 -12.0589 26.007 TIMING: 185800 CPU: 549.318, 0.00294055/step Wall: 549.318, 0.00294055/step, 3.93233 hours remaining, 203.343750 MB of memory in use. ENERGY: 185800 724.0150 2076.5500 1976.5920 104.0074 -205919.0913 17790.3137 0.0000 0.0000 34628.7189 -148618.8944 302.4212 -183247.6133 -148520.9225 301.6106 47.7480 80.5250 558322.0260 -6.7374 -6.6517 PRESSURE: 186000 -41.4583 61.6623 124.33 61.6629 101.407 -142.816 124.329 -142.817 134.525 GPRESSURE: 186000 -38.3207 83.0081 64.452 0.290747 145.945 -59.2322 171.601 -101.033 188.653 PRESSAVG: 186000 -19.19 -30.6846 -16.2028 -30.6846 -14.514 7.14398 -16.2027 7.14401 36.1717 GPRESSAVG: 186000 -19.1566 -30.5097 -15.9207 -31.1135 -14.0632 7.75277 -15.427 7.76581 35.4606 TIMING: 186000 CPU: 549.907, 0.00294912/step Wall: 549.907, 0.00294912/step, 3.94363 hours remaining, 203.464844 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: 186000 742.4610 2117.8038 1937.6068 121.4192 -206020.2127 17969.1692 0.0000 0.0000 34362.6990 -148769.0536 300.0980 -183131.7527 -148671.1331 301.2470 64.8247 98.7592 557614.8188 0.8226 0.7470 PRESSURE: 186200 11.8109 -224.903 94.3194 -224.904 36.0721 62.6725 94.3197 62.6728 160.701 GPRESSURE: 186200 70.1513 -125.383 151.653 -241.599 106.996 67.6578 60.406 -1.32943 128.216 PRESSAVG: 186200 -21.8301 -60.5084 40.9371 -60.5084 2.74344 -36.7382 40.937 -36.7383 -20.1094 GPRESSAVG: 186200 -22.2774 -60.1299 41.6566 -58.3554 2.53735 -36.9142 39.05 -36.1419 -19.3084 TIMING: 186200 CPU: 550.496, 0.00294279/step Wall: 550.496, 0.00294279/step, 3.935 hours remaining, 203.464844 MB of memory in use. ENERGY: 186200 775.9534 2014.8973 1923.3268 112.5596 -206177.0267 17983.2677 0.0000 0.0000 34285.5728 -149081.4490 299.4244 -183367.0218 -148984.4186 299.8913 69.5280 101.7876 558289.4943 -13.0654 -13.0161 PRESSURE: 186400 -178.161 -101.166 -114.155 -101.164 -26.0335 -31.7446 -114.156 -31.746 -34.881 GPRESSURE: 186400 -143.496 -187.075 -148.887 -7.81598 -6.4091 63.1016 -61.6045 -69.0371 1.7769 PRESSAVG: 186400 -11.3404 -3.73793 -22.7979 -3.73799 7.05927 -25.5398 -22.7979 -25.5398 -29.1647 GPRESSAVG: 186400 -9.94694 -4.72336 -23.2784 -4.67173 6.01258 -24.7737 -20.3186 -26.1934 -29.3923 TIMING: 186400 CPU: 551.091, 0.00297355/step Wall: 551.091, 0.00297355/step, 3.97596 hours remaining, 203.464844 MB of memory in use. ENERGY: 186400 712.9227 2084.5655 1960.6636 108.9505 -205837.4409 17681.0240 0.0000 0.0000 34303.1923 -148986.1222 299.5783 -183289.3145 -148888.6454 299.9565 -79.6917 -49.3760 557186.9482 -11.1486 -11.1089 PRESSURE: 186600 -223.964 97.2107 25.8104 97.2118 -6.05991 -45.4887 25.8109 -45.4891 -142.881 GPRESSURE: 186600 -183.353 112.557 -0.597384 48.8466 -18.3255 -53.6878 27.5964 -58.7371 -70.4908 PRESSAVG: 186600 -12.5262 8.76087 1.507 8.76102 10.7474 -49.239 1.507 -49.2389 40.6739 GPRESSAVG: 186600 -13.6609 9.75188 2.03972 7.68245 11.9416 -48.4662 0.895338 -49.6795 40.7487 TIMING: 186600 CPU: 551.687, 0.00298304/step Wall: 551.687, 0.00298304/step, 3.98849 hours remaining, 203.464844 MB of memory in use. ENERGY: 186600 724.0703 2120.2957 1943.7514 118.8036 -205802.4927 17465.0213 0.0000 0.0000 34476.9859 -148953.5645 301.0961 -183430.5504 -148863.9657 300.0797 -124.3015 -90.7230 557227.4356 12.9650 13.0098 PRESSURE: 186800 47.2029 -246.866 -19.9441 -246.865 -132.532 121.701 -19.9447 121.701 166.114 GPRESSURE: 186800 43.6608 -259.877 -74.2811 -258.532 -82.782 115.61 52.2227 60.2865 226.804 PRESSAVG: 186800 25.9608 -13.1888 20.3179 -13.1887 -46.5404 19.6586 20.318 19.6586 1.36688 GPRESSAVG: 186800 26.2837 -16.0723 19.3835 -11.0445 -46.7652 19.6541 21.2856 19.221 0.440276 TIMING: 186800 CPU: 552.277, 0.00294599/step Wall: 552.277, 0.00294599/step, 3.93878 hours remaining, 203.464844 MB of memory in use. ENERGY: 186800 752.5677 2149.4746 1952.5230 102.5931 -206138.4609 17831.4607 0.0000 0.0000 34243.8250 -149106.0168 299.0598 -183349.8418 -149011.3077 300.2100 26.9283 62.5610 556715.0047 -6.4043 -6.6804 PRESSURE: 187000 -252.291 -84.9569 3.92758 -84.9557 -141.236 144.133 3.92781 144.133 99.3059 GPRESSURE: 187000 -239.328 -92.2405 33.8288 -93.251 -93.1813 139.409 17.6721 189.672 121.989 PRESSAVG: 187000 -16.7926 1.79054 29.2945 1.79063 34.1783 16.0352 29.2945 16.0352 -20.8358 GPRESSAVG: 187000 -16.7429 4.92459 30.2561 -0.808144 34.2126 16.3663 28.4819 16.5388 -21.3158 TIMING: 187000 CPU: 552.866, 0.00294755/step Wall: 552.866, 0.00294755/step, 3.94071 hours remaining, 203.464844 MB of memory in use. ENERGY: 187000 742.3330 2104.4955 1952.7736 111.9347 -205787.0482 17630.3055 0.0000 0.0000 34287.7051 -148957.5008 299.4431 -183245.2059 -148861.5671 299.8651 -98.0736 -70.1737 558254.5561 -1.1500 -1.2821 PRESSURE: 187200 -33.6449 60.4293 -108.783 60.4284 -172.795 -56.9544 -108.783 -56.9564 -273.127 GPRESSURE: 187200 35.1634 20.0539 -44.6449 127.777 -137.425 -162.651 -101.493 31.946 -280.683 PRESSAVG: 187200 -18.0996 -2.60028 18.1742 -2.60035 -24.4146 -32.3647 18.1741 -32.3645 -0.268701 GPRESSAVG: 187200 -18.3446 -6.37844 19.5314 -1.19542 -24.7335 -34.338 18.3775 -30.2799 -0.083671 TIMING: 187200 CPU: 553.456, 0.00294829/step Wall: 553.456, 0.00294829/step, 3.94153 hours remaining, 203.464844 MB of memory in use. ENERGY: 187200 778.3588 2141.3681 1935.4160 125.1479 -205645.4887 17485.8773 0.0000 0.0000 34244.0731 -148935.2474 299.0620 -183179.3205 -148831.4149 300.4193 -159.8554 -127.6482 558522.0120 -14.2610 -14.3873 PRESSURE: 187400 129.547 38.8455 25.1869 38.8447 26.4801 -52.341 25.1867 -52.3405 333.246 GPRESSURE: 187400 175.196 69.9803 57.0006 58.5674 84.622 -109.542 55.6896 -68.1831 322.252 PRESSAVG: 187400 -29.9578 -36.1784 -30.9156 -36.1783 -77.7953 6.92684 -30.9156 6.92698 126.856 GPRESSAVG: 187400 -29.5937 -31.5679 -31.2237 -36.8397 -78.413 7.82748 -33.1943 4.05051 126.999 TIMING: 187400 CPU: 554.045, 0.00294814/step Wall: 554.045, 0.00294814/step, 3.94118 hours remaining, 203.464844 MB of memory in use. ENERGY: 187400 770.4465 2130.5958 1971.9013 106.1766 -206026.9317 17926.1415 0.0000 0.0000 34279.3642 -148842.3059 299.3702 -183121.6701 -148753.3761 300.3831 163.0908 194.0232 557549.7767 6.3677 6.3309 PRESSURE: 187600 -63.4267 81.3487 152.14 81.3495 -158.624 95.3496 152.141 95.3498 -41.919 GPRESSURE: 187600 -47.7309 49.8865 97.667 65.245 -153.957 135.378 127.438 3.30313 20.532 PRESSAVG: 187600 37.5514 43.8758 13.0441 43.8759 -92.9738 10.7536 13.0441 10.7537 21.6992 GPRESSAVG: 187600 36.7183 44.035 10.4952 42.5821 -93.1136 10.0312 15.8828 11.1119 22.7259 TIMING: 187600 CPU: 554.633, 0.00294002/step Wall: 554.633, 0.00294002/step, 3.93016 hours remaining, 203.464844 MB of memory in use. ENERGY: 187600 743.0379 2195.5059 1960.0457 119.3167 -205654.5995 17609.3132 0.0000 0.0000 34253.9925 -148773.3876 299.1486 -183027.3801 -148674.9027 299.8977 -87.9900 -60.3852 559354.2350 -11.2411 -11.2231 PRESSURE: 187800 19.2063 -120.897 -85.5621 -120.896 -186.153 -121.043 -85.5614 -121.042 16.3482 GPRESSURE: 187800 109.512 -102.747 -29.934 -120.552 -161.648 -96.29 -29.2652 -104.233 -2.23586 PRESSAVG: 187800 22.598 -23.195 -10.7296 -23.195 -63.238 -12.3801 -10.7296 -12.38 43.2936 GPRESSAVG: 187800 23.5876 -24.6008 -8.81767 -21.4139 -62.2227 -13.5555 -11.6805 -9.94484 41.2982 TIMING: 187800 CPU: 555.222, 0.00294101/step Wall: 555.222, 0.00294101/step, 3.93132 hours remaining, 203.464844 MB of memory in use. ENERGY: 187800 753.9787 2113.9283 1953.1442 112.1391 -205740.9179 17589.8037 0.0000 0.0000 34536.5892 -148681.3346 301.6166 -183217.9238 -148581.8871 300.9675 -50.1994 -18.1240 558313.1034 0.8845 0.8877 PRESSURE: 188000 29.6423 55.5752 -132.406 55.5753 53.0562 -57.2461 -132.405 -57.2457 90.4666 GPRESSURE: 188000 137.654 15.3802 -166.204 21.8339 72.2312 -86.9093 -91.8083 -82.5069 57.2963 PRESSAVG: 188000 48.3883 -17.5526 -2.77527 -17.5526 -63.6824 -27.5114 -2.77522 -27.5114 24.1353 GPRESSAVG: 188000 48.5627 -16.0893 -4.14301 -19.3381 -64.0659 -25.2125 -1.96441 -28.6083 24.3541 TIMING: 188000 CPU: 555.811, 0.00294874/step Wall: 555.811, 0.00294874/step, 3.94148 hours remaining, 203.464844 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: 188000 747.3168 2149.9564 1958.2821 99.9508 -205830.2508 17752.5152 0.0000 0.0000 34508.1109 -148614.1185 301.3679 -183122.2294 -148515.0701 301.3895 57.7217 89.0606 557397.3541 2.9471 2.9503 PRESSURE: 188200 -16.7138 -20.1146 -91.1181 -20.1152 5.03045 -68.3781 -91.1177 -68.3798 -37.4491 GPRESSURE: 188200 23.416 -9.29302 -127.331 7.47908 48.1866 -63.6732 -140.233 -136.147 -19.1065 PRESSAVG: 188200 -55.8067 -54.3364 32.6283 -54.3364 66.9582 11.989 32.6283 11.9889 -5.76799 GPRESSAVG: 188200 -56.3245 -56.1054 34.9572 -52.3251 65.9485 10.6066 32.3252 10.9513 -4.44415 TIMING: 188200 CPU: 556.4, 0.0029428/step Wall: 556.4, 0.0029428/step, 3.93337 hours remaining, 203.464844 MB of memory in use. ENERGY: 188200 779.5538 2158.2643 1976.6959 108.7028 -205889.3768 17792.0737 0.0000 0.0000 34359.1265 -148714.9598 300.0668 -183074.0863 -148628.8532 301.1182 -16.3775 17.4987 557561.5429 1.7945 1.7266 LDB: ============= START OF LOAD BALANCING ============== 559.823 LDB: ============== END OF LOAD BALANCING =============== 559.823 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 559.825 LDB: ============= START OF LOAD BALANCING ============== 560.117 LDB: Largest compute 4848 load 0.029897 is 25.4% of average load 0.117752 LDB: Average compute 0.001728 is 1.5% of average load 0.117752 LDB: TIME 560.119 LOAD: AVG 0.117752 MAX 0.192923 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.434 MB LDB: TIME 560.119 LOAD: AVG 0.117752 MAX 0.192923 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.434 MB LDB: TIME 560.119 LOAD: AVG 0.117752 MAX 0.192923 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.434 MB LDB: ============== END OF LOAD BALANCING =============== 560.121 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 560.125 PRESSURE: 188400 -11.6286 -195.39 -26.126 -195.39 66.0862 -104.08 -26.1254 -104.081 -29.8453 GPRESSURE: 188400 -8.39257 -190.409 -75.9411 -204.855 164.391 -116.494 -43.0734 -40.303 -31.9458 PRESSAVG: 188400 -1.22223 -75.9982 -48.1491 -75.9983 29.8749 12.275 -48.1491 12.2751 -10.7869 GPRESSAVG: 188400 -1.24937 -75.2901 -49.769 -75.7828 30.0123 14.6828 -48.9353 11.5131 -10.8432 TIMING: 188400 CPU: 556.996, 0.0029788/step Wall: 556.996, 0.0029788/step, 3.98134 hours remaining, 203.371094 MB of memory in use. ENERGY: 188400 759.8741 2096.8850 1941.6801 114.8443 -205802.5987 17721.1149 0.0000 0.0000 34371.5473 -148796.6531 300.1753 -183168.2004 -148706.7150 300.3835 8.2041 41.3508 557773.4469 5.9553 5.9732 PRESSURE: 188600 -106.444 41.9589 -35.0039 41.9577 195.265 14.4122 -35.0031 14.4109 114.322 GPRESSURE: 188600 11.4992 46.4121 -70.8011 1.02696 184.373 -2.94545 6.762 -26.6766 110.125 PRESSAVG: 188600 -20.3791 -56.9515 2.53771 -56.9516 29.8308 -0.807192 2.53778 -0.807132 -12.4187 GPRESSAVG: 188600 -19.5589 -59.0262 2.47379 -58.2352 30.1203 -4.73941 1.7771 1.25494 -13.5884 TIMING: 188600 CPU: 557.582, 0.00293171/step Wall: 557.582, 0.00293171/step, 3.91823 hours remaining, 203.371094 MB of memory in use. ENERGY: 188600 758.3453 2106.9920 1971.3085 115.6843 -206034.4182 17850.3110 0.0000 0.0000 34341.0437 -148890.7334 299.9089 -183231.7771 -148788.8673 300.4681 67.7144 101.9989 557891.5803 -0.9890 -1.0090 PRESSURE: 188800 23.997 -107.137 -161.273 -107.135 68.767 -60.6779 -161.273 -60.6772 52.4796 GPRESSURE: 188800 90.1036 -171.398 -166.84 -115.296 95.6894 -45.6789 -98.7844 -68.2023 50.3747 PRESSAVG: 188800 -46.7031 -23.6633 -23.6387 -23.6633 15.3492 -18.5305 -23.6387 -18.5307 7.76147 GPRESSAVG: 188800 -46.0588 -22.298 -23.766 -23.3333 16.4997 -18.5234 -22.6826 -18.8975 6.79134 TIMING: 188800 CPU: 558.172, 0.00295171/step Wall: 558.172, 0.00295171/step, 3.9448 hours remaining, 203.371094 MB of memory in use. ENERGY: 188800 725.8616 2167.7970 1956.7844 111.9310 -206036.9893 17827.6705 0.0000 0.0000 34365.7797 -148881.1651 300.1249 -183246.9448 -148784.0800 300.2540 48.4146 78.7226 558500.4581 -7.8641 -7.5893 PRESSURE: 189000 13.8508 119.931 -12.7521 119.932 5.87762 -184.723 -12.7522 -184.723 -14.2163 GPRESSURE: 189000 -1.68636 171.06 -65.16 106.592 69.7315 -180.46 71.3069 -100.213 37.3889 PRESSAVG: 189000 -19.9846 -51.6864 -31.5499 -51.6863 6.11349 -78.7125 -31.5498 -78.7124 17.6353 GPRESSAVG: 189000 -21.1789 -51.5852 -30.2598 -51.2601 4.46847 -78.9976 -31.7306 -78.8755 20.2752 TIMING: 189000 CPU: 558.758, 0.00292998/step Wall: 558.758, 0.00292998/step, 3.9156 hours remaining, 203.371094 MB of memory in use. ENERGY: 189000 706.3322 2147.3565 1948.5158 129.9939 -205715.4921 17749.4025 0.0000 0.0000 34314.4183 -148719.4729 299.6763 -183033.8913 -148625.8636 301.4149 1.8374 35.1447 557789.2648 1.2547 1.1883 PRESSURE: 189200 118.929 -77.7612 -154.644 -77.7625 -68.4497 -331.512 -154.644 -331.512 104.05 GPRESSURE: 189200 213.517 -3.49045 -140.534 -85.9312 -20.038 -306.832 -185.355 -324.758 57.3742 PRESSAVG: 189200 76.4283 -0.581696 -10.9747 -0.581632 -22.5239 -60.3874 -10.9746 -60.3874 -32.3221 GPRESSAVG: 189200 77.5338 -1.44172 -10.5724 -0.571807 -23.0202 -58.0431 -11.5733 -61.3365 -33.0871 TIMING: 189200 CPU: 559.349, 0.00295272/step Wall: 559.349, 0.00295272/step, 3.94581 hours remaining, 203.371094 MB of memory in use. ENERGY: 189200 741.7984 2155.3521 1924.9384 115.2478 -206145.8038 17895.5209 0.0000 0.0000 34548.7701 -148764.1762 301.7230 -183312.9463 -148663.1124 301.1209 51.5096 83.6178 558435.0044 7.1941 7.1422 PRESSURE: 189400 -416.672 -72.9415 133.132 -72.9399 -202.097 0.606991 133.132 0.608286 -245.377 GPRESSURE: 189400 -387.357 -126.844 102.846 -8.38492 -208.825 -21.5026 127.09 -39.445 -180.176 PRESSAVG: 189400 47.8352 -68.2647 50.1144 -68.2645 13.205 15.1081 50.1146 15.1082 -48.281 GPRESSAVG: 189400 48.1871 -66.1417 48.1345 -69.1758 13.6247 13.373 51.0623 16.0561 -48.9361 TIMING: 189400 CPU: 559.943, 0.00297319/step Wall: 559.943, 0.00297319/step, 3.97301 hours remaining, 203.371094 MB of memory in use. ENERGY: 189400 725.4210 2117.5970 1935.6029 125.6240 -205505.9400 17320.9932 0.0000 0.0000 34521.4625 -148759.2394 301.4845 -183280.7019 -148662.1506 300.0912 -288.0489 -258.7860 559318.4969 4.2531 4.2919 PRESSURE: 189600 -55.7136 -3.23824 76.9277 -3.23684 -170.455 47.2791 76.9274 47.2789 46.5416 GPRESSURE: 189600 6.09472 24.6763 48.1248 -70.0368 -169.883 8.61591 96.4588 23.4863 69.8034 PRESSAVG: 189600 -31.5836 -69.2857 15.5883 -69.2856 24.95 15.6752 15.5882 15.6753 46.1509 GPRESSAVG: 189600 -32.564 -69.9927 16.3359 -68.6113 24.8086 15.101 16.8862 15.9241 46.9347 TIMING: 189600 CPU: 560.535, 0.00295946/step Wall: 560.535, 0.00295946/step, 3.95449 hours remaining, 203.371094 MB of memory in use. ENERGY: 189600 764.3614 2129.0694 1954.2546 119.9480 -205781.4290 17845.7636 0.0000 0.0000 34141.5038 -148826.5282 298.1662 -182968.0320 -148723.6412 300.5397 -59.8756 -31.3283 559353.4805 13.1724 13.0597 PRESSURE: 189800 96.4108 139.627 -72.1241 139.628 18.9143 221.025 -72.1225 221.024 -149.347 GPRESSURE: 189800 138.503 60.5188 -51.5159 104.03 21.7208 229.92 4.72961 170.225 -101.768 PRESSAVG: 189800 -30.3382 -39.8097 52.3137 -39.8096 33.2181 21.4879 52.3137 21.488 19.2432 GPRESSAVG: 189800 -29.1135 -40.1247 51.6438 -39.4783 32.8726 23.6018 51.975 20.8551 18.0648 TIMING: 189800 CPU: 561.124, 0.00294065/step Wall: 561.124, 0.00294065/step, 3.9292 hours remaining, 203.371094 MB of memory in use. ENERGY: 189800 756.3001 2170.2520 1929.6895 123.1367 -205999.3704 17684.0704 0.0000 0.0000 34516.2302 -148819.6915 301.4388 -183335.9218 -148723.8213 300.4298 -11.3407 19.4853 557517.2025 7.3744 7.2747 PRESSURE: 190000 -49.5208 -19.1642 -5.11798 -19.1631 -79.1621 -80.3631 -5.11735 -80.3643 -87.4057 GPRESSURE: 190000 -7.08463 44.2474 119.476 -46.3867 -56.9053 -147.021 41.2696 -77.2366 -50.1231 PRESSAVG: 190000 23.4943 14.3019 -22.8113 14.3017 -65.472 -16.8642 -22.8113 -16.8642 30.4946 GPRESSAVG: 190000 21.6801 16.12 -21.9424 11.7075 -64.6439 -18.0734 -23.7812 -16.4903 31.2767 TIMING: 190000 CPU: 561.71, 0.00293284/step Wall: 561.71, 0.00293284/step, 3.9186 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: 190000 774.5394 2093.1667 1934.7482 122.1293 -205693.4175 17707.6795 0.0000 0.0000 34369.5366 -148691.6177 300.1577 -183061.1543 -148597.4313 300.5434 -72.0295 -38.0377 558069.8248 -3.8277 -3.8957 PRESSURE: 190200 37.8055 298.875 152.485 298.875 -188.487 17.5316 152.486 17.5319 60.5909 GPRESSURE: 190200 128.945 317.814 156.306 329.7 -165.857 -47.27 174.002 41.6437 24.6927 PRESSAVG: 190200 8.1638 37.651 33.8538 37.651 54.0878 -49.671 33.8538 -49.6711 -17.6014 GPRESSAVG: 190200 8.23015 35.0634 35.2877 41.4291 54.1526 -49.9192 32.9452 -50.5234 -17.3935 TIMING: 190200 CPU: 562.296, 0.00293063/step Wall: 562.296, 0.00293063/step, 3.91549 hours remaining, 203.371094 MB of memory in use. ENERGY: 190200 761.4268 2095.2949 1967.5554 121.2986 -205827.8395 17639.1470 0.0000 0.0000 34518.5148 -148724.6020 301.4588 -183243.1168 -148628.4304 301.0578 -30.0302 -4.0734 556384.5273 14.8834 14.9964 PRESSURE: 190400 29.2824 -6.67021 -50.9229 -6.67 -135.872 -96.9171 -50.9227 -96.9184 6.29766 GPRESSURE: 190400 123.142 -36.1838 -5.78458 -37.5331 -148.815 -141.157 27.2002 -121.595 18.182 PRESSAVG: 190400 17.7982 12.1865 -30.2117 12.1866 -9.36279 43.6842 -30.2117 43.6842 8.03988 GPRESSAVG: 190400 18.2957 14.7435 -30.3304 11.7841 -10.1377 44.0059 -29.8525 45.1126 8.14093 TIMING: 190400 CPU: 562.88, 0.00291667/step Wall: 562.88, 0.00291667/step, 3.89667 hours remaining, 203.371094 MB of memory in use. ENERGY: 190400 740.2953 2080.6023 1942.4034 117.1637 -205719.4443 17635.4224 0.0000 0.0000 34430.5529 -148773.0043 300.6906 -183203.5571 -148681.1245 300.2433 -33.4306 -2.4971 557376.3366 5.4918 5.4330 PRESSURE: 190600 -297.109 -77.3908 -119.043 -77.3901 -237.197 -24.366 -119.043 -24.3652 -51.701 GPRESSURE: 190600 -338.235 -19.5819 -122.39 -64.7046 -138.453 -78.4644 -139.959 51.5371 -10.1706 PRESSAVG: 190600 63.0918 13.2252 -63.1299 13.2251 -61.2621 -24.1424 -63.1299 -24.1425 -43.8317 GPRESSAVG: 190600 62.1635 11.4516 -63.2488 12.9347 -59.1967 -24.6847 -63.2242 -23.1658 -44.6821 TIMING: 190600 CPU: 563.471, 0.00295654/step Wall: 563.471, 0.00295654/step, 3.94977 hours remaining, 203.371094 MB of memory in use. ENERGY: 190600 774.0628 2074.7417 1947.0838 119.0210 -205761.4917 17606.6122 0.0000 0.0000 34527.0034 -148712.9668 301.5329 -183239.9703 -148616.8661 301.2397 -195.3357 -162.2862 556533.4029 -14.0007 -13.9051 PRESSURE: 190800 91.2389 -135.705 257.317 -135.706 -66.0507 75.3058 257.316 75.3055 137.938 GPRESSURE: 190800 159.331 -125.325 291.181 -152.371 -77.7269 7.59956 177.623 35.4594 179.44 PRESSAVG: 190800 45.8342 17.9908 -17.8022 17.9909 6.46901 86.1505 -17.8023 86.1505 -56.4514 GPRESSAVG: 190800 45.9595 18.0011 -18.9484 17.3115 5.21036 85.9927 -19.6419 86.2027 -54.8621 TIMING: 190800 CPU: 564.065, 0.00296907/step Wall: 564.065, 0.00296907/step, 3.96635 hours remaining, 203.371094 MB of memory in use. ENERGY: 190800 753.6738 2056.0962 1955.7045 115.7141 -205794.0515 17858.6871 0.0000 0.0000 34432.2765 -148621.8994 300.7056 -183054.1758 -148527.0179 300.6200 54.3754 87.0146 557298.6964 -1.3827 -1.2308 PRESSURE: 191000 -23.6094 -10.9771 -19.2268 -10.9775 81.0798 -183.385 -19.2267 -183.384 258.537 GPRESSURE: 191000 89.204 44.5867 75.4998 44.6365 83.0679 -134.399 -67.2936 -196.681 241.024 PRESSAVG: 191000 -29.9856 -45.2272 9.30042 -45.2272 -36.5205 -1.43571 9.30042 -1.4357 44.8204 GPRESSAVG: 191000 -29.6919 -45.0624 8.7536 -44.1253 -35.4247 -0.251694 12.2041 -2.56071 43.9182 TIMING: 191000 CPU: 564.654, 0.00294537/step Wall: 564.654, 0.00294537/step, 3.93452 hours remaining, 203.371094 MB of memory in use. ENERGY: 191000 712.5281 2067.6240 1964.7292 105.7948 -205461.9866 17764.7792 0.0000 0.0000 34298.0699 -148548.4614 299.5336 -182846.5313 -148446.4292 300.9709 105.3358 137.7654 557806.0940 -7.2286 -7.0661 PRESSURE: 191200 224.663 44.7921 -221.618 44.7925 -67.8098 71.4752 -221.619 71.4761 -136.516 GPRESSURE: 191200 256.734 80.7665 -291.359 34.3638 -50.8975 109.715 -166.605 33.0164 -77.7553 PRESSAVG: 191200 22.1811 -43.3635 16.4676 -43.3635 8.6345 1.67294 16.4675 1.67293 -12.6278 GPRESSAVG: 191200 22.1846 -44.596 17.4114 -43.0671 8.08357 2.35971 14.9064 1.46139 -11.7132 TIMING: 191200 CPU: 565.245, 0.00295744/step Wall: 565.245, 0.00295744/step, 3.95049 hours remaining, 203.371094 MB of memory in use. ENERGY: 191200 777.2061 2075.6365 1952.7744 133.0656 -205709.6075 17796.4023 0.0000 0.0000 34391.2113 -148583.3114 300.3470 -182974.5226 -148480.8959 301.2777 6.7791 42.6938 558953.3442 6.0626 6.1850 PRESSURE: 191400 50.2169 -26.0773 221.014 -26.0776 -80.2842 -62.5549 221.014 -62.554 98.799 GPRESSURE: 191400 8.82147 -52.0808 153.918 -122.792 60.6695 1.90206 266.897 -106.281 97.8957 PRESSAVG: 191400 86.7871 -10.8882 -2.03109 -10.8883 -56.4253 13.4568 -2.031 13.4567 -12.2832 GPRESSAVG: 191400 86.9721 -10.4351 -2.01905 -12.6241 -56.8021 10.361 0.415437 14.2436 -11.9852 TIMING: 191400 CPU: 565.839, 0.00296762/step Wall: 565.839, 0.00296762/step, 3.96391 hours remaining, 203.371094 MB of memory in use. ENERGY: 191400 743.7862 2112.3453 1949.5603 116.2380 -205740.2474 17863.2086 0.0000 0.0000 34373.1156 -148581.9934 300.1890 -182955.1090 -148488.4684 301.6756 22.9105 55.7956 557818.5232 6.0262 6.0616 PRESSURE: 191600 -135.547 -54.3461 24.0763 -54.3474 -255.284 -11.8649 24.0764 -11.8632 -35.8815 GPRESSURE: 191600 -129.626 -41.0994 25.899 -48.1324 -185.716 -11.5071 6.61341 28.7578 -4.22922 PRESSAVG: 191600 48.2247 -21.9469 -0.600939 -21.9469 -21.6659 49.4595 -0.600994 49.4595 -20.2918 GPRESSAVG: 191600 47.9199 -19.8374 -1.38579 -20.0519 -20.2152 51.1594 -2.19121 49.4984 -20.8623 TIMING: 191600 CPU: 566.434, 0.00297744/step Wall: 566.434, 0.00297744/step, 3.97687 hours remaining, 203.371094 MB of memory in use. ENERGY: 191600 725.7460 2046.5175 1971.8953 112.1971 -205710.7365 17590.1693 0.0000 0.0000 34452.4256 -148811.7857 300.8816 -183264.2113 -148702.9742 300.8672 -142.2375 -106.5237 559729.4257 2.0890 2.2808 PRESSURE: 191800 338.428 8.85686 -76.1391 8.85665 71.5004 87.1316 -76.1392 87.1329 125.723 GPRESSURE: 191800 332.841 50.7381 -123.737 -8.6017 74.9003 59.8948 -75.1563 101.698 211.196 PRESSAVG: 191800 -18.6758 20.9049 42.9662 20.9049 -43.5559 39.0418 42.9664 39.0419 -9.13334 GPRESSAVG: 191800 -18.0286 20.9334 41.7808 20.8888 -45.1216 38.5064 43.3406 39.6668 -8.25698 TIMING: 191800 CPU: 567.024, 0.00295003/step Wall: 567.024, 0.00295003/step, 3.94009 hours remaining, 203.371094 MB of memory in use. ENERGY: 191800 714.5662 2035.5666 1956.1725 104.1105 -206042.6508 18121.7828 0.0000 0.0000 34416.0328 -148694.4196 300.5638 -183110.4523 -148592.2975 299.5773 178.5506 206.3124 559061.5149 -23.7884 -23.8024 PRESSURE: 192000 113.023 184.897 -12.8269 184.898 -100.247 38.1233 -12.8272 38.1236 183.113 GPRESSURE: 192000 121.702 184.324 33.9896 171.618 -39.2234 168.824 -53.6002 -5.88191 198.263 PRESSAVG: 192000 50.9985 -20.8609 -15.3369 -20.861 -78.1416 6.18715 -15.3369 6.18706 45.6515 GPRESSAVG: 192000 50.1812 -20.3862 -14.237 -20.2517 -76.8003 6.16901 -18.9238 6.52405 45.197 TIMING: 192000 CPU: 567.62, 0.00297762/step Wall: 567.62, 0.00297762/step, 3.97677 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: 192000 718.6217 2012.7359 1952.9141 118.6962 -205812.6148 17823.7272 0.0000 0.0000 34240.1199 -148945.7998 299.0275 -183185.9197 -148852.8676 299.9568 65.2963 93.5807 557609.7676 6.1695 6.1926 PRESSURE: 192200 23.1227 -12.6008 -42.3577 -12.5989 -47.1771 -24.1111 -42.3565 -24.1096 112.57 GPRESSURE: 192200 53.5556 22.7777 -57.8974 -17.199 29.9335 70.1356 -86.6448 -61.4721 91.4897 PRESSAVG: 192200 -29.7338 -4.40912 -2.60906 -4.40906 -36.7392 54.2027 -2.60893 54.2027 35.1575 GPRESSAVG: 192200 -29.7597 -5.8497 -2.25303 -6.65685 -37.1572 54.388 0.570502 53.3649 35.789 TIMING: 192200 CPU: 568.213, 0.00296459/step Wall: 568.213, 0.00296459/step, 3.95921 hours remaining, 203.371094 MB of memory in use. ENERGY: 192200 714.4422 2128.9072 1985.3517 118.9020 -206161.7007 17899.1105 0.0000 0.0000 34432.7431 -148882.2440 300.7097 -183314.9871 -148788.7772 299.4281 29.5051 58.3263 560153.4391 -10.4385 -10.3760 LDB: ============= START OF LOAD BALANCING ============== 571.636 LDB: ============== END OF LOAD BALANCING =============== 571.636 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 571.638 LDB: ============= START OF LOAD BALANCING ============== 571.934 LDB: Largest compute 4848 load 0.029906 is 25.4% of average load 0.117639 LDB: Average compute 0.001740 is 1.5% of average load 0.117639 LDB: TIME 571.936 LOAD: AVG 0.117639 MAX 0.195779 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.781 MB LDB: TIME 571.937 LOAD: AVG 0.117639 MAX 0.195779 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.781 MB LDB: TIME 571.937 LOAD: AVG 0.117639 MAX 0.195779 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.781 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 571.939 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 571.943 PRESSURE: 192400 139.416 -108.421 -124.416 -108.42 -83.8244 0.856306 -124.417 0.855856 -209.494 GPRESSURE: 192400 184.922 -92.6981 -172.196 -57.5591 -113.628 -31.7623 -18.7326 -1.11479 -126.022 PRESSAVG: 192400 -12.867 -34.1449 10.9909 -34.145 -53.7528 1.28253 10.9909 1.28253 73.083 GPRESSAVG: 192400 -13.2924 -34.6036 10.4416 -32.9937 -53.5076 1.77078 9.74902 3.11222 73.2386 TIMING: 192400 CPU: 568.813, 0.00300199/step Wall: 568.813, 0.00300199/step, 4.00899 hours remaining, 203.574219 MB of memory in use. ENERGY: 192400 726.1887 2061.1048 1952.2515 104.1197 -205848.6998 17731.1394 0.0000 0.0000 34285.6156 -148988.2801 299.4248 -183273.8957 -148893.6539 300.2879 -51.3008 -18.2428 560497.3749 2.1544 2.1462 PRESSURE: 192600 149.152 -63.1279 -58.6221 -63.1269 204.379 -81.5161 -58.6214 -81.5181 70.6582 GPRESSURE: 192600 187.485 -48.6512 -13.4746 -36.3313 262.15 -14.6596 -130.503 -88.8934 75.1118 PRESSAVG: 192600 -22.7164 -25.299 -79.545 -25.299 -19.0118 40.7029 -79.5451 40.7028 30.1099 GPRESSAVG: 192600 -22.603 -25.4026 -78.1812 -23.534 -19.2192 39.2552 -79.5397 39.6584 30.1526 TIMING: 192600 CPU: 569.403, 0.00294915/step Wall: 569.403, 0.00294915/step, 3.93826 hours remaining, 203.644531 MB of memory in use. ENERGY: 192600 718.3690 2102.5461 1928.8492 100.5231 -206147.0172 18136.3809 0.0000 0.0000 34108.5494 -149051.7995 297.8784 -183160.3489 -148950.3280 299.7899 141.3966 174.9157 559650.3124 -3.8728 -3.8899 PRESSURE: 192800 -150.972 -206.322 -101.564 -206.322 -23.2909 -17.9225 -101.564 -17.9232 -49.4497 GPRESSURE: 192800 -102.15 -243.714 -148.794 -172.84 -6.63274 -2.05272 -25.7308 -4.50421 -16.9604 PRESSAVG: 192800 9.24663 -26.5103 -38.6406 -26.5102 -25.4165 -7.04697 -38.6406 -7.04704 15.7107 GPRESSAVG: 192800 9.20568 -23.3734 -40.4901 -28.4401 -26.2984 -6.09238 -38.1252 -8.57186 16.5031 TIMING: 192800 CPU: 569.99, 0.00293388/step Wall: 569.99, 0.00293388/step, 3.91771 hours remaining, 203.726562 MB of memory in use. ENERGY: 192800 728.3618 2130.4374 1951.0978 119.7067 -206004.8238 17826.1746 0.0000 0.0000 34449.8098 -148799.2356 300.8588 -183249.0454 -148708.4728 300.3514 -74.5709 -41.9144 559559.4367 -0.1531 -0.1966 PRESSURE: 193000 -81.7054 -26.5722 180.547 -26.571 399.2 69.8847 180.547 69.8845 84.7925 GPRESSURE: 193000 5.52415 56.8173 83.4707 -26.2588 381.794 -22.5114 209.58 88.1566 108.403 PRESSAVG: 193000 -0.0418369 -27.7604 -26.6697 -27.7604 26.1292 -18.7387 -26.6697 -18.7387 -11.5521 GPRESSAVG: 193000 0.0294423 -28.1926 -25.3497 -29.3181 26.8799 -18.2447 -29.214 -18.7419 -13.0215 TIMING: 193000 CPU: 570.579, 0.00294722/step Wall: 570.579, 0.00294722/step, 3.93536 hours remaining, 203.726562 MB of memory in use. ENERGY: 193000 715.5573 2106.7830 1959.7837 115.9750 -206017.2608 17852.8661 0.0000 0.0000 34462.6587 -148803.6370 300.9710 -183266.2957 -148710.1777 300.7541 134.0957 165.2402 557789.3176 4.8451 4.6293 PRESSURE: 193200 -214.161 9.96751 -71.6444 9.96719 -425.265 -43.9968 -71.6444 -43.9974 -195.776 GPRESSURE: 193200 -170.67 52.1599 -0.18526 -12.246 -409.969 -24.7181 -31.9728 -46.7789 -162.944 PRESSAVG: 193200 -3.78075 8.86639 31.9707 8.86637 -5.39466 37.6039 31.9706 37.604 15.954 GPRESSAVG: 193200 -3.46619 6.46273 30.4017 10.5757 -6.03921 37.1726 35.0987 38.0084 16.0868 TIMING: 193200 CPU: 571.165, 0.00293004/step Wall: 571.165, 0.00293004/step, 3.91225 hours remaining, 203.726562 MB of memory in use. ENERGY: 193200 731.4448 2110.9189 1968.4595 117.4131 -205990.7245 17596.0264 0.0000 0.0000 34633.3429 -148833.1189 302.4616 -183466.4618 -148735.1767 300.6478 -278.4006 -247.8611 559677.0668 2.2595 2.1938 PRESSURE: 193400 149.918 21.8038 79.7129 21.8045 -185.753 255.719 79.713 255.719 90.2662 GPRESSURE: 193400 193.376 -19.5853 133.933 69.4856 -142.856 291.642 75.016 274.784 95.096 PRESSAVG: 193400 -24.7328 40.7218 -11.2932 40.7218 -55.4029 -27.9131 -11.2931 -27.913 60.2392 GPRESSAVG: 193400 -26.129 41.1523 -11.8646 42.969 -54.9117 -28.4659 -11.2895 -26.1514 61.5095 TIMING: 193400 CPU: 571.756, 0.00295542/step Wall: 571.756, 0.00295542/step, 3.94598 hours remaining, 203.726562 MB of memory in use. ENERGY: 193400 713.9649 2111.1042 1978.7314 102.7960 -206205.3841 17898.0300 0.0000 0.0000 34371.9242 -149028.8333 300.1786 -183400.7576 -148933.1630 300.1240 18.1439 48.5386 560036.2140 -6.6322 -6.5104 PRESSURE: 193600 -320.726 54.0904 -86.1612 54.0895 -144.152 19.7155 -86.1605 19.7154 -18.468 GPRESSURE: 193600 -259.834 148.897 -164.965 -14.7613 -145.437 -31.1375 -6.1043 42.4357 23.7707 PRESSAVG: 193600 -4.51477 -10.962 41.4029 -10.9621 -43.3281 6.4311 41.4029 6.43103 24.7641 GPRESSAVG: 193600 -2.40604 -10.0542 41.603 -13.9153 -43.6633 9.2843 40.0691 6.0223 23.1727 TIMING: 193600 CPU: 572.347, 0.00295415/step Wall: 572.347, 0.00295415/step, 3.94412 hours remaining, 203.726562 MB of memory in use. ENERGY: 193600 734.0094 2071.3721 1961.0098 118.5330 -205977.1232 17667.4675 0.0000 0.0000 34405.7951 -149018.9362 300.4744 -183424.7314 -148918.6979 299.2883 -161.1153 -127.1667 559849.7487 -7.6929 -7.6322 PRESSURE: 193800 -219.05 23.173 -70.5144 23.1729 152.087 97.2556 -70.5143 97.2557 -80.0947 GPRESSURE: 193800 -187.793 78.1185 -68.808 16.0794 177.297 98.3107 -30.7198 96.5625 -33.29 PRESSAVG: 193800 -27.1274 69.3394 -2.61213 69.3395 -4.19257 9.74248 -2.61219 9.74246 14.0973 GPRESSAVG: 193800 -28.5091 68.0938 -0.699735 69.0338 -4.14655 9.33931 -3.61152 9.32706 15.2376 TIMING: 193800 CPU: 572.94, 0.00296722/step Wall: 572.94, 0.00296722/step, 3.9614 hours remaining, 203.726562 MB of memory in use. ENERGY: 193800 747.1085 2100.3628 1970.4221 109.8647 -206258.9523 17846.1611 0.0000 0.0000 34264.2976 -149220.7355 299.2386 -183485.0331 -149120.6934 299.7408 -49.0191 -14.5954 557728.7786 -5.7409 -5.8060 PRESSURE: 194000 4.68319 2.01009 -16.9802 2.01169 156.445 125.396 -16.9799 125.396 -275.889 GPRESSURE: 194000 33.3648 8.1197 68.6691 29.5848 195.159 -19.466 -31.0359 221.729 -248.742 PRESSAVG: 194000 33.0261 7.02831 6.50626 7.02838 -28.6401 -45.9476 6.50632 -45.9475 9.87129 GPRESSAVG: 194000 33.8739 9.3901 7.36641 7.83166 -28.7034 -47.8236 7.21752 -44.1953 9.37347 TIMING: 194000 CPU: 573.538, 0.00298995/step Wall: 573.538, 0.00298995/step, 3.99159 hours remaining, 203.726562 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: 194000 750.9613 2110.5907 1968.7855 115.1794 -206593.2962 18061.5203 0.0000 0.0000 34249.9810 -149336.2781 299.1136 -183586.2590 -149244.7346 299.1188 -38.2534 -6.7395 557026.4704 4.7524 4.8480 PRESSURE: 194200 10.4002 71.074 -175.322 71.075 -42.8929 -161.222 -175.321 -161.223 -226.669 GPRESSURE: 194200 4.48983 113.903 -214.636 56.2009 -1.63224 -115.492 -165.199 -175.11 -167.061 PRESSAVG: 194200 16.0271 1.52846 -37.2719 1.5285 32.51 -37.9533 -37.2719 -37.9533 14.1142 GPRESSAVG: 194200 15.3813 0.550725 -38.789 -1.07806 31.9623 -34.315 -37.2922 -40.176 14.8456 TIMING: 194200 CPU: 574.13, 0.0029592/step Wall: 574.13, 0.0029592/step, 3.95037 hours remaining, 203.726562 MB of memory in use. ENERGY: 194200 732.8487 2065.9990 1951.3334 123.8591 -205868.3933 17722.8233 0.0000 0.0000 34169.9250 -149101.6048 298.4145 -183271.5298 -149000.3405 298.8984 -86.3872 -54.7344 559867.3054 20.8838 20.7297 PRESSURE: 194400 -125.103 26.0897 -71.7278 26.0893 -117.398 -81.0752 -71.7285 -81.075 435.356 GPRESSURE: 194400 -57.5997 12.4267 -50.2543 34.6174 -56.2852 -26.4924 -109.466 -85.4786 389.429 PRESSAVG: 194400 -4.79282 6.08645 -30.2366 6.08646 -50.4231 -36.6429 -30.2366 -36.6429 34.3683 GPRESSAVG: 194400 -4.42934 5.11806 -31.6731 10.5587 -50.5664 -37.4159 -29.0512 -36.9698 34.1867 TIMING: 194400 CPU: 574.721, 0.00295271/step Wall: 574.721, 0.00295271/step, 3.94154 hours remaining, 203.726562 MB of memory in use. ENERGY: 194400 734.6927 2103.4880 1962.9234 123.2961 -206262.8862 17965.6471 0.0000 0.0000 34273.3466 -149099.4923 299.3177 -183372.8389 -148992.3074 299.9049 64.2849 91.8480 558387.5340 -6.9492 -6.9363 PRESSURE: 194600 20.0176 120.347 50.8914 120.346 158.873 -21.9004 50.8934 -21.8996 -147.995 GPRESSURE: 194600 84.7666 105.414 0.0282977 123.824 118.428 -52.9281 8.45719 -43.0174 -79.6888 PRESSAVG: 194600 -10.9618 -20.0183 -3.30362 -20.0184 37.5142 -12.1153 -3.30356 -12.1154 21.2662 GPRESSAVG: 194600 -10.8597 -17.4256 -3.71485 -21.6483 37.7673 -14.5194 -3.4972 -11.6055 20.8666 TIMING: 194600 CPU: 575.31, 0.00294801/step Wall: 575.31, 0.00294801/step, 3.93511 hours remaining, 203.726562 MB of memory in use. ENERGY: 194600 717.4207 2069.9373 1969.0119 100.3723 -206159.8320 17820.3618 0.0000 0.0000 34234.4222 -149248.3058 298.9777 -183482.7280 -149152.3753 299.3582 10.2985 41.1685 559190.9101 15.9395 15.9247 PRESSURE: 194800 -78.2131 256.314 17.1337 256.314 -89.5962 80.4538 17.1354 80.4521 -94.5189 GPRESSURE: 194800 -38.2644 290.052 15.4988 230.452 -85.8356 108.804 5.28293 86.1955 -39.4296 PRESSAVG: 194800 -37.385 51.6745 -43.8646 51.6744 52.4418 -4.51872 -43.8646 -4.51873 8.33293 GPRESSAVG: 194800 -37.3074 49.3301 -43.3786 51.7546 53.0063 -4.25865 -42.6256 -5.68117 7.15144 TIMING: 194800 CPU: 575.899, 0.00294231/step Wall: 575.899, 0.00294231/step, 3.92734 hours remaining, 203.726562 MB of memory in use. ENERGY: 194800 739.6562 2097.1521 1952.9923 107.0229 -206272.6998 17636.8231 0.0000 0.0000 34450.4222 -149288.6311 300.8641 -183739.0533 -149195.8968 299.1495 -87.4427 -54.5098 556661.3888 7.7966 7.6168 PRESSURE: 195000 -154.549 -160.295 154.226 -160.296 54.0883 130.665 154.226 130.665 -141.734 GPRESSURE: 195000 -116.294 -71.4038 43.1888 -216.446 78.1517 137.631 128.283 65.6061 -106.147 PRESSAVG: 195000 15.0436 48.9577 -53.7641 48.9578 2.8504 18.0067 -53.7641 18.0066 -2.73298 GPRESSAVG: 195000 13.9205 50.7485 -53.6919 48.479 3.4896 19.4443 -56.8133 19.0885 -1.91736 TIMING: 195000 CPU: 576.489, 0.00294893/step Wall: 576.489, 0.00294893/step, 3.93601 hours remaining, 203.726562 MB of memory in use. ENERGY: 195000 755.2553 2104.5873 1928.1844 109.0467 -206014.6288 17835.9111 0.0000 0.0000 34079.4156 -149202.2284 297.6240 -183281.6440 -149108.8789 299.1650 -80.7313 -48.0965 558351.9183 5.0537 5.1642 PRESSURE: 195200 103.113 54.883 -85.1047 54.8835 -101.975 54.0517 -85.1056 54.0513 150.171 GPRESSURE: 195200 134.88 73.5523 -38.9584 5.6194 -33.105 18.9859 -57.6684 -56.31 152.484 PRESSAVG: 195200 -28.2623 -60.4279 -44.6005 -60.4279 25.9716 40.4649 -44.6005 40.4649 28.8111 GPRESSAVG: 195200 -28.663 -61.7245 -45.0762 -59.6516 25.8269 39.8821 -42.4635 40.6503 28.3741 TIMING: 195200 CPU: 577.082, 0.00296846/step Wall: 577.082, 0.00296846/step, 3.96191 hours remaining, 203.726562 MB of memory in use. ENERGY: 195200 763.3518 2139.1945 1954.8114 113.3301 -206415.7976 17840.1987 0.0000 0.0000 34394.0221 -149210.8890 300.3715 -183604.9112 -149123.6017 298.9481 50.4360 84.7532 556050.7629 8.8402 8.5127 PRESSURE: 195400 -117.561 -81.2609 19.6459 -81.2608 -253.917 111.073 19.6463 111.074 -335.928 GPRESSURE: 195400 -106.171 -89.175 69.9674 -58.2097 -246.381 100.993 -35.8805 132.213 -264.411 PRESSAVG: 195400 5.58692 47.9702 80.1929 47.9703 32.9135 24.896 80.1929 24.8961 -45.7519 GPRESSAVG: 195400 6.22573 47.162 81.8579 48.1033 31.0367 24.2046 78.7074 26.7758 -44.8812 TIMING: 195400 CPU: 577.68, 0.00299009/step Wall: 577.68, 0.00299009/step, 3.99061 hours remaining, 203.726562 MB of memory in use. ENERGY: 195400 735.7164 2134.3253 1926.2590 108.8982 -206063.3639 17563.8294 0.0000 0.0000 34402.5896 -149191.7460 300.4464 -183594.3356 -149098.4390 299.1497 -235.8021 -205.6544 559152.0905 -2.4172 -2.5396 PRESSURE: 195600 -27.2831 162.899 -29.6494 162.899 -168.102 139.419 -29.6492 139.42 -13.4277 GPRESSURE: 195600 4.03533 250.656 -4.67576 132.133 -142.056 146.1 -31.7619 132.586 25.7116 PRESSAVG: 195600 45.5898 26.9793 18.3924 26.9794 -43.3873 46.5577 18.3924 46.5576 -8.12391 GPRESSAVG: 195600 46.1936 27.7464 18.3664 24.4888 -42.6629 45.1351 20.0925 45.2648 -9.24339 TIMING: 195600 CPU: 578.272, 0.00295817/step Wall: 578.272, 0.00295817/step, 3.94784 hours remaining, 203.726562 MB of memory in use. ENERGY: 195600 725.3669 2063.3928 1949.1412 109.0803 -206072.5888 17675.1485 0.0000 0.0000 34402.2881 -149148.1709 300.4437 -183550.4590 -149058.2879 299.1737 -69.6043 -37.4364 557484.0085 -1.9738 -1.9042 PRESSURE: 195800 -56.0401 -98.8454 57.5903 -98.8455 -343.356 26.0034 57.5907 26.0042 -82.4597 GPRESSURE: 195800 -12.5334 -99.0546 69.1168 -63.4509 -280.297 124.879 48.0388 38.1369 -87.6786 PRESSAVG: 195800 45.0115 -41.232 -10.0604 -41.2321 -17.2788 0.500276 -10.0604 0.500344 -29.856 GPRESSAVG: 195800 44.3811 -41.7983 -12.3749 -37.6534 -16.2985 3.53775 -9.25715 -0.691552 -29.8958 TIMING: 195800 CPU: 578.864, 0.00295992/step Wall: 578.864, 0.00295993/step, 3.95002 hours remaining, 203.726562 MB of memory in use. ENERGY: 195800 746.9104 2099.0616 1952.5881 106.6516 -205492.4245 17453.8022 0.0000 0.0000 34089.4948 -149043.9158 297.7120 -183133.4106 -148948.7579 299.5490 -160.6187 -126.8364 558284.0786 -0.7078 -0.6044 PRESSURE: 196000 223.091 178.053 -58.9051 178.053 -214.002 44.7559 -58.9051 44.7565 -117.294 GPRESSURE: 196000 185.823 174.346 -161.714 215.283 -140.679 -28.4468 64.7879 100.684 -57.5107 PRESSAVG: 196000 25.0037 12.5481 -1.93448 12.5481 -70.7233 33.5253 -1.93443 33.5253 16.9758 GPRESSAVG: 196000 26.5937 12.8584 -2.2902 12.3107 -72.8024 31.0391 -3.55547 35.4322 17.3377 TIMING: 196000 CPU: 579.455, 0.00295629/step Wall: 579.455, 0.00295629/step, 3.94501 hours remaining, 203.726562 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: 196000 724.3902 2026.3182 1957.1023 110.2891 -206017.8718 17835.1718 0.0000 0.0000 34289.7535 -149074.8467 299.4609 -183364.6002 -148984.8543 299.7000 -36.0685 -4.1223 558497.4344 -9.5812 -9.6237 PRESSURE: 196200 -17.4849 -60.9644 203.872 -60.9639 211.007 148.812 203.872 148.812 154.267 GPRESSURE: 196200 -1.08395 27.4619 168.167 -185.755 188.154 121.72 259.687 85.9115 257.437 PRESSAVG: 196200 -53.5695 -11.8262 26.338 -11.8263 24.6921 40.3634 26.338 40.3636 40.7774 GPRESSAVG: 196200 -53.7491 -14.8961 26.4307 -11.2093 24.9795 38.7164 27.582 39.5929 41.2082 TIMING: 196200 CPU: 580.046, 0.0029537/step Wall: 580.046, 0.0029537/step, 3.94138 hours remaining, 203.726562 MB of memory in use. ENERGY: 196200 734.7884 2116.3822 1982.6240 102.6596 -206361.4377 18142.7198 0.0000 0.0000 34168.3992 -149113.8645 298.4011 -183282.2637 -149021.9124 299.4145 115.9298 148.1690 557792.8353 3.9667 4.1462 LDB: ============= START OF LOAD BALANCING ============== 583.473 LDB: ============== END OF LOAD BALANCING =============== 583.474 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 583.475 LDB: ============= START OF LOAD BALANCING ============== 583.775 LDB: Largest compute 4848 load 0.028813 is 24.5% of average load 0.117714 LDB: Average compute 0.001739 is 1.5% of average load 0.117714 LDB: TIME 583.777 LOAD: AVG 0.117714 MAX 0.200111 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.562 MB LDB: TIME 583.778 LOAD: AVG 0.117714 MAX 0.200111 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.602 MB LDB: TIME 583.778 LOAD: AVG 0.117714 MAX 0.200111 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 583.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 583.784 PRESSURE: 196400 -155.464 20.4024 -76.2037 20.4027 -107.48 175.679 -76.2028 175.678 -109.745 GPRESSURE: 196400 -111.022 22.5831 -91.8135 14.4133 -100.767 147.959 -68.652 261.018 -59.9373 PRESSAVG: 196400 -46.6412 -5.25219 35.028 -5.2522 8.68738 55.6318 35.028 55.6318 48.017 GPRESSAVG: 196400 -46.3929 -2.67831 36.5954 -7.22364 8.5699 57.4615 34.1909 56.8149 48.56 TIMING: 196400 CPU: 580.654, 0.00304099/step Wall: 580.654, 0.00304099/step, 4.05769 hours remaining, 203.953125 MB of memory in use. ENERGY: 196400 754.0746 2081.1062 1950.3948 104.5461 -205894.9439 17716.5967 0.0000 0.0000 34316.5419 -148971.6837 299.6949 -183288.2256 -148872.0241 299.6629 -124.2297 -90.5755 558719.4691 3.3544 3.5790 PRESSURE: 196600 164.241 -13.2953 84.2415 -13.2942 107.167 -161.225 84.2408 -161.225 156.943 GPRESSURE: 196600 249.322 14.7259 19.9742 -63.3139 138.649 -112.873 84.183 -168.586 129.278 PRESSAVG: 196600 -17.1091 21.1705 4.62088 21.1705 -29.449 -3.02853 4.62084 -3.02851 51.369 GPRESSAVG: 196600 -17.5602 20.6222 5.49882 21.7102 -28.7692 -3.23746 4.09068 -3.73402 50.8582 TIMING: 196600 CPU: 581.248, 0.00296941/step Wall: 581.248, 0.00296941/step, 3.96202 hours remaining, 204.156250 MB of memory in use. ENERGY: 196600 718.1605 2096.4653 1987.8316 121.3279 -206170.7488 17913.1885 0.0000 0.0000 34366.8367 -148966.9384 300.1341 -183333.7750 -148873.3178 299.8782 142.7837 172.4159 558224.5977 1.6036 1.5096 PRESSURE: 196800 -154.351 86.616 -41.3266 86.6154 -111.597 -31.1975 -41.3277 -31.1978 160.3 GPRESSURE: 196800 -122.97 55.3 -61.0277 14.9623 -42.0793 -50.5467 -52.041 -31.8112 159.418 PRESSAVG: 196800 -59.6293 27.4115 31.7203 27.4115 4.83495 13.4917 31.7203 13.4917 26.1064 GPRESSAVG: 196800 -59.4489 26.0985 31.4084 28.5161 4.0182 13.5176 31.674 12.7235 27.3376 TIMING: 196800 CPU: 581.843, 0.00297194/step Wall: 581.843, 0.00297194/step, 3.96522 hours remaining, 204.156250 MB of memory in use. ENERGY: 196800 768.3580 2106.1587 1977.3725 106.3079 -206095.5722 17854.3202 0.0000 0.0000 34378.4107 -148904.6442 300.2352 -183283.0548 -148808.4505 299.7377 -35.2160 -1.8772 559839.5449 -9.5626 -9.3644 PRESSURE: 197000 169.288 -56.7678 -235.036 -56.7695 228.382 -100.742 -235.035 -100.743 56.8543 GPRESSURE: 197000 199.968 -18.152 -139.705 16.6997 222.893 -141.883 -232.954 -84.9355 121.253 PRESSAVG: 197000 -18.715 20.5658 36.151 20.5658 41.0639 11.2461 36.1509 11.2461 2.68104 GPRESSAVG: 197000 -17.5631 22.4628 35.9451 20.9536 41.2155 12.2597 35.5171 12.2944 2.19442 TIMING: 197000 CPU: 582.437, 0.00297298/step Wall: 582.437, 0.00297298/step, 3.96645 hours remaining, 204.410156 MB of memory in use. ENERGY: 197000 750.9483 2121.0258 1956.7243 120.4698 -206048.3769 17965.1507 0.0000 0.0000 34273.3361 -148860.7218 299.3176 -183134.0579 -148764.0574 299.7003 151.5079 181.3715 558363.0943 8.3433 8.6156 PRESSURE: 197200 -22.0153 -6.0162 89.2392 -6.01491 167.548 21.167 89.2397 21.1654 11.32 GPRESSURE: 197200 7.79949 -166.819 -17.6125 45.8726 204.657 -3.19798 172.556 7.05543 17.5797 PRESSAVG: 197200 -23.7379 -12.2672 31.0344 -12.2672 -43.4756 -18.7293 31.0345 -18.7293 77.4404 GPRESSAVG: 197200 -24.782 -13.5002 31.9903 -13.2713 -42.7897 -20.8302 32.255 -19.2901 77.9958 TIMING: 197200 CPU: 583.028, 0.00295421/step Wall: 583.028, 0.00295421/step, 3.94124 hours remaining, 204.410156 MB of memory in use. ENERGY: 197200 754.0682 2095.2480 1971.3734 114.1162 -205949.5403 17742.7354 0.0000 0.0000 34221.5082 -149050.4909 298.8649 -183271.9991 -148957.5614 299.4380 52.2842 76.6787 558712.6750 3.4090 3.4747 PRESSURE: 197400 -26.8714 71.9199 -28.6786 71.9201 -37.6622 22.7103 -28.6781 22.7102 -166.449 GPRESSURE: 197400 73.947 85.0862 -69.7468 101.201 -20.85 50.7803 -41.8877 0.750896 -188.79 PRESSAVG: 197400 21.3557 -5.35039 1.29338 -5.35034 -41.5347 12.8378 1.29335 12.8377 31.1166 GPRESSAVG: 197400 20.4126 -4.96112 1.96836 -5.27151 -40.5669 14.0229 -0.118245 14.224 30.6496 TIMING: 197400 CPU: 583.622, 0.00297173/step Wall: 583.622, 0.00297173/step, 3.96446 hours remaining, 204.410156 MB of memory in use. ENERGY: 197400 767.4289 2128.7197 1961.7549 112.8249 -206063.7171 17707.4264 0.0000 0.0000 34309.5936 -149075.9687 299.6342 -183385.5623 -148982.8345 299.4644 -76.9943 -45.2309 558232.9920 3.6459 3.4984 PRESSURE: 197600 -305.2 -92.355 78.6971 -92.3554 -246.857 -130.456 78.6967 -130.456 -162.514 GPRESSURE: 197600 -312.503 -87.1515 122.364 -79.5034 -146.224 -112.798 33.8685 -170.119 -166.169 PRESSAVG: 197600 10.4353 -45.024 23.2453 -45.0241 3.65212 -15.3781 23.2454 -15.3781 -51.176 GPRESSAVG: 197600 11.8963 -44.2347 22.8469 -46.3061 2.11231 -16.0203 23.8605 -15.792 -51.1534 TIMING: 197600 CPU: 584.217, 0.00297377/step Wall: 584.217, 0.00297377/step, 3.96701 hours remaining, 204.410156 MB of memory in use. ENERGY: 197600 771.0424 2115.0606 1972.4240 111.9749 -205913.7781 17520.5612 0.0000 0.0000 34434.1226 -148988.5925 300.7218 -183422.7151 -148882.9078 299.2432 -238.1902 -208.2989 559388.8222 -12.3629 -12.3816 PRESSURE: 197800 -51.0734 52.4737 94.9241 52.4733 2.3677 132.19 94.9231 132.191 -63.3055 GPRESSURE: 197800 -40.1239 63.8926 58.1314 46.5236 65.7932 100.153 127.704 163.443 -47.4287 PRESSAVG: 197800 16.818 31.796 -0.473457 31.796 -21.6961 -0.170726 -0.473441 -0.170851 1.29184 GPRESSAVG: 197800 15.9724 30.9604 -1.20982 31.8478 -20.2385 -0.4865 0.615024 -1.22399 0.40347 TIMING: 197800 CPU: 584.811, 0.00296946/step Wall: 584.811, 0.00296946/step, 3.96109 hours remaining, 204.410156 MB of memory in use. ENERGY: 197800 753.4562 2068.4370 1949.3907 111.4994 -206176.4876 17732.5408 0.0000 0.0000 34284.4496 -149276.7138 299.4146 -183561.1634 -149178.2959 299.6742 -37.3371 -7.2531 558291.8012 -1.1954 -1.2875 PRESSURE: 198000 270.076 135.806 -337.079 135.805 86.5322 58.9133 -337.079 58.9132 -46.86 GPRESSURE: 198000 259.55 111.636 -458.925 200.145 147.891 46.9782 -183.605 59.29 -13.7896 PRESSAVG: 198000 8.52807 29.7224 -34.0362 29.7224 -9.03342 -15.5647 -34.0362 -15.5646 4.31041 GPRESSAVG: 198000 7.38575 30.4723 -33.8172 30.8923 -7.65552 -15.3754 -32.6063 -15.5484 4.41912 TIMING: 198000 CPU: 585.402, 0.00295544/step Wall: 585.402, 0.00295544/step, 3.94223 hours remaining, 204.410156 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: 198000 749.7545 2185.2909 1940.0428 131.9324 -206595.5727 18026.3264 0.0000 0.0000 34186.3317 -149375.8940 298.5577 -183562.2257 -149280.5430 299.5372 103.2493 131.2172 557781.7835 1.2684 1.3831 PRESSURE: 198200 -76.9781 84.8563 120.928 84.8569 276.35 -33.0158 120.929 -33.0156 36.8156 GPRESSURE: 198200 -21.0573 132.006 59.812 133.392 223.415 -19.2228 138.371 -98.3045 125.644 PRESSAVG: 198200 -50.0197 29.562 1.55237 29.562 77.8788 22.6323 1.55231 22.6323 17.9683 GPRESSAVG: 198200 -48.8013 30.0574 1.81222 28.5216 76.3506 21.0304 -0.4357 22.9924 18.3944 TIMING: 198200 CPU: 585.994, 0.00295748/step Wall: 585.994, 0.00295748/step, 3.94478 hours remaining, 204.410156 MB of memory in use. ENERGY: 198200 718.5582 2216.3765 1961.9083 124.4874 -206682.8497 17980.6190 0.0000 0.0000 34208.3285 -149472.5717 298.7498 -183680.9003 -149372.4287 298.9776 78.7290 109.3338 557318.8757 15.2758 15.3146 PRESSURE: 198400 -85.414 -76.4252 71.0867 -76.4264 145.077 72.1433 71.0868 72.1431 -30.8464 GPRESSURE: 198400 -43.22 -48.884 -10.1473 -67.1794 137.489 -33.831 14.7384 102.244 33.3595 PRESSAVG: 198400 -22.2491 24.5435 22.3486 24.5434 76.304 -32.1436 22.3486 -32.1436 -13.2377 GPRESSAVG: 198400 -22.7624 22.9346 18.9108 24.3801 76.1054 -29.7292 24.3511 -33.395 -12.5836 TIMING: 198400 CPU: 586.585, 0.00295793/step Wall: 586.585, 0.00295793/step, 3.94522 hours remaining, 204.410156 MB of memory in use. ENERGY: 198400 775.3313 2122.8123 1932.8491 110.7022 -206720.9180 17861.0646 0.0000 0.0000 34294.1371 -149624.0213 299.4992 -183918.1584 -149528.9811 298.3528 9.6057 42.5428 555177.3078 13.6058 13.5865 PRESSURE: 198600 31.9274 -129.421 -151.827 -129.422 100.671 -34.5113 -151.827 -34.5134 30.9125 GPRESSURE: 198600 39.396 -91.4645 -122.09 -170.159 188.777 -63.2192 -113.579 -52.1553 32.2904 PRESSAVG: 198600 23.0923 49.6343 -33.6276 49.6344 36.9144 -7.88138 -33.6276 -7.88153 -44.6169 GPRESSAVG: 198600 23.6179 50.6479 -30.849 50.3729 37.5069 -8.42491 -35.0164 -6.69086 -45.2904 TIMING: 198600 CPU: 587.179, 0.00296824/step Wall: 587.179, 0.00296824/step, 3.9588 hours remaining, 204.410156 MB of memory in use. ENERGY: 198600 740.2105 2122.9635 1955.8516 122.5566 -206980.0180 18149.6747 0.0000 0.0000 34153.8498 -149734.9113 298.2741 -183888.7612 -149638.2118 298.4488 54.5035 86.8210 555219.7194 5.1299 5.2781 PRESSURE: 198800 24.5963 153.21 -45.5087 153.209 -86.1431 46.9902 -45.508 46.9913 -3.676 GPRESSURE: 198800 41.0733 195.256 -0.966863 115.085 -90.0186 36.3477 -55.2301 38.0087 81.3482 PRESSAVG: 198800 -24.2201 14.9624 41.0644 14.9624 -13.6515 31.5081 41.0644 31.508 40.913 GPRESSAVG: 198800 -24.1935 11.849 42.7143 16.3892 -12.9911 31.4727 39.5382 30.9899 40.5741 TIMING: 198800 CPU: 587.768, 0.00294605/step Wall: 587.768, 0.00294605/step, 3.92905 hours remaining, 204.410156 MB of memory in use. ENERGY: 198800 807.3740 2079.9150 1964.4108 112.0056 -207091.0863 18025.7465 0.0000 0.0000 34306.7738 -149794.8606 299.6096 -184101.6344 -149697.4829 298.6487 -21.7410 10.8010 555427.8401 1.0138 1.1298 PRESSURE: 199000 -43.4993 4.6978 -173.814 4.69533 -122.726 -70.0607 -173.814 -70.0592 140.493 GPRESSURE: 199000 -20.2071 -17.3604 -148.565 11.7331 -46.3742 -29.8101 -182.793 -125.972 142.477 PRESSAVG: 199000 -38.367 47.0375 -23.3078 47.0375 -53.3495 45.0269 -23.3078 45.0269 31.7869 GPRESSAVG: 199000 -38.3784 48.9536 -24.7303 45.2306 -53.9978 44.5335 -22.8859 47.101 32.5211 TIMING: 199000 CPU: 588.361, 0.0029674/step Wall: 588.361, 0.0029674/step, 3.95735 hours remaining, 204.410156 MB of memory in use. ENERGY: 199000 769.4384 2108.1653 1927.4516 116.1042 -206588.5367 17759.3642 0.0000 0.0000 34087.0987 -149820.9143 297.6911 -183908.0130 -149723.7598 297.8073 -8.5773 25.2984 557454.1504 -19.9765 -19.9517 PRESSURE: 199200 -7.74766 -30.2554 55.736 -30.2548 77.3394 -122.334 55.7359 -122.334 17.2187 GPRESSURE: 199200 32.6105 -22.1928 87.8522 -79.6244 64.4581 -51.6461 12.8694 -174.38 80.3868 PRESSAVG: 199200 19.9444 -10.821 -62.3118 -10.8211 -21.9064 -5.46735 -62.3117 -5.46722 -2.85915 GPRESSAVG: 199200 20.4794 -9.5505 -61.0833 -10.3791 -21.577 -4.96273 -61.1505 -6.31062 -3.52876 TIMING: 199200 CPU: 588.956, 0.00297222/step Wall: 588.956, 0.00297222/step, 3.96362 hours remaining, 204.410156 MB of memory in use. ENERGY: 199200 729.1987 2106.3142 1961.1052 110.3666 -206851.0226 17859.1591 0.0000 0.0000 34288.6931 -149796.1856 299.4517 -184084.8787 -149704.9754 297.3322 28.9368 59.1518 556989.7685 -1.6070 -1.5421 PRESSURE: 199400 -143.806 8.47472 51.8824 8.47416 47.4452 -53.7316 51.8809 -53.7299 -141.899 GPRESSURE: 199400 -132.959 -72.7789 42.8355 100.884 62.4207 -118.611 28.9698 -7.05272 -82.9942 PRESSAVG: 199400 22.3537 48.6135 -29.8479 48.6135 -5.22835 -8.65326 -29.8479 -8.65326 34.7345 GPRESSAVG: 199400 21.782 48.1948 -30.1361 50.3216 -6.1235 -8.20739 -29.5824 -10.2282 35.8323 TIMING: 199400 CPU: 589.551, 0.00297707/step Wall: 589.551, 0.00297707/step, 3.96992 hours remaining, 204.410156 MB of memory in use. ENERGY: 199400 767.7457 2087.4283 1964.7926 120.2348 -206558.3861 17841.1786 0.0000 0.0000 34117.5247 -149659.4813 297.9568 -183777.0061 -149560.7203 297.6875 -79.4199 -51.1775 556983.8551 17.2866 17.1636 PRESSURE: 199600 41.9605 -144.799 -20.7731 -144.799 -159.038 -51.8514 -20.7726 -51.8511 199.546 GPRESSURE: 199600 92.7825 -128.124 -70.6904 -42.2295 -88.6615 -54.5605 -1.02338 -40.667 168.415 PRESSAVG: 199600 13.3421 -23.3872 10.563 -23.3872 -56.4606 -24.07 10.563 -24.0699 11.2238 GPRESSAVG: 199600 14.2324 -24.0085 8.32426 -26.4072 -55.0173 -23.0275 11.2998 -24.2548 9.53146 TIMING: 199600 CPU: 590.141, 0.00294669/step Wall: 590.141, 0.00294669/step, 3.92925 hours remaining, 204.410156 MB of memory in use. ENERGY: 199600 752.5280 2077.9293 1950.0785 106.5406 -206564.9270 18053.2782 0.0000 0.0000 33900.2006 -149724.3718 296.0589 -183624.5724 -149628.4994 297.1704 27.4896 57.5122 557648.0312 -10.6316 -10.4178 PRESSURE: 199800 -418.666 95.083 113.625 95.0827 -225.231 26.9361 113.625 26.9359 -171.268 GPRESSURE: 199800 -387.681 103.888 78.7934 -22.5854 -139.365 42.2279 87.1351 61.8341 -194.464 PRESSAVG: 199800 -37.6797 -26.7928 52.2397 -26.7928 12.6198 21.6773 52.2397 21.6775 54.0203 GPRESSAVG: 199800 -37.5699 -28.3404 52.9524 -24.369 12.4379 20.0033 53.8927 24.0329 53.8845 TIMING: 199800 CPU: 590.725, 0.0029206/step Wall: 590.725, 0.0029206/step, 3.8943 hours remaining, 204.410156 MB of memory in use. ENERGY: 199800 778.3869 2029.1643 1962.6899 116.9143 -206163.3266 17631.6228 0.0000 0.0000 34097.9545 -149546.5939 297.7859 -183644.5485 -149449.3880 297.5947 -271.7217 -240.5031 557518.1647 9.6534 9.5842 PRESSURE: 200000 -141.652 100.399 -287.179 100.397 -207.233 158.791 -287.179 158.791 121.487 GPRESSURE: 200000 -141.156 132.665 -254.494 42.1687 -162.002 73.4371 -254.176 137.284 177.517 PRESSAVG: 200000 -14.7464 -4.23643 -4.58559 -4.23642 17.3594 8.96619 -4.58561 8.96627 36.6599 GPRESSAVG: 200000 -15.1062 -3.47509 -2.60112 -6.66984 17.0432 9.04351 -8.19589 9.62327 37.195 TIMING: 200000 CPU: 591.313, 0.00294006/step Wall: 591.313, 0.00294006/step, 3.92008 hours remaining, 204.410156 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: 200000 762.9207 2068.5775 1942.0877 117.8912 -206436.3033 17728.0758 0.0000 0.0000 34185.4470 -149631.3034 298.5500 -183816.7504 -149535.8848 297.4248 -75.7997 -41.8802 557008.0339 13.0910 13.0440 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 200000 WRITING COORDINATES TO RESTART FILE AT STEP 200000 FINISHED WRITING RESTART COORDINATES The last position output (seq=200000) takes 0.010 seconds, 204.410 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, 204.414 MB of memory in use PRESSURE: 200200 57.0194 41.1672 23.7171 41.1671 -215.565 -153.435 23.7173 -153.436 68.596 GPRESSURE: 200200 153.017 103.49 34.6664 -24.4797 -210.219 -42.9887 -28.826 -183.695 60.9891 PRESSAVG: 200200 -3.84218 31.4954 -23.4855 31.4954 -66.2555 -5.74585 -23.4855 -5.74588 74.5751 GPRESSAVG: 200200 -4.02245 30.6891 -23.4183 32.1939 -66.9503 -5.77289 -21.5985 -6.45357 75.5598 TIMING: 200200 CPU: 591.916, 0.00301682/step Wall: 591.916, 0.00301682/step, 4.02225 hours remaining, 204.414062 MB of memory in use. ENERGY: 200200 753.8010 2076.1130 1933.2396 113.0600 -206480.5398 17966.4126 0.0000 0.0000 33975.3390 -149662.5745 296.7151 -183637.9136 -149570.7220 298.0394 -29.9832 1.2622 558093.2479 1.4925 1.5290 LDB: ============= START OF LOAD BALANCING ============== 595.343 LDB: ============== END OF LOAD BALANCING =============== 595.343 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 595.345 LDB: ============= START OF LOAD BALANCING ============== 595.645 LDB: Largest compute 4848 load 0.030714 is 26.1% of average load 0.117653 LDB: Average compute 0.001738 is 1.5% of average load 0.117653 LDB: TIME 595.647 LOAD: AVG 0.117653 MAX 0.198351 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.195 MB LDB: TIME 595.648 LOAD: AVG 0.117653 MAX 0.198351 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.195 MB LDB: TIME 595.648 LOAD: AVG 0.117653 MAX 0.198351 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.195 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 595.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 595.654 PRESSURE: 200400 -207.645 -33.9679 55.1895 -33.9674 160.425 -46.9192 55.1875 -46.9203 58.6155 GPRESSURE: 200400 -142.463 12.2319 9.449 -154.103 193.003 3.25056 77.0631 -37.5514 62.1038 PRESSAVG: 200400 24.3684 -53.1509 -86.2709 -53.151 -25.8 4.40503 -86.2709 4.40502 23.7031 GPRESSAVG: 200400 24.4149 -51.6052 -86.6835 -52.5247 -24.9846 1.6901 -87.1706 6.02522 22.757 TIMING: 200400 CPU: 592.524, 0.00303938/step Wall: 592.524, 0.00303938/step, 4.05218 hours remaining, 202.808594 MB of memory in use. ENERGY: 200400 756.8080 2061.2939 1961.9997 105.8594 -206737.2525 17887.7394 0.0000 0.0000 34240.9300 -149722.6221 299.0346 -183963.5521 -149627.1167 297.5272 3.7986 37.5480 556613.5828 7.4238 7.3957 PRESSURE: 200600 64.114 8.59871 17.746 8.59833 56.5974 12.3973 17.7453 12.399 -22.1698 GPRESSURE: 200600 84.4265 42.5 14.182 -5.20299 124.195 26.7516 -28.938 36.7154 -7.94483 PRESSAVG: 200600 17.0004 -48.5593 -19.7603 -48.5593 13.828 14.9226 -19.7603 14.9227 2.35336 GPRESSAVG: 200600 16.9941 -49.6829 -17.9646 -49.8686 12.6673 18.2751 -21.9546 13.117 3.14386 TIMING: 200600 CPU: 593.115, 0.00295707/step Wall: 593.115, 0.00295707/step, 3.94227 hours remaining, 203.066406 MB of memory in use. ENERGY: 200600 739.2805 2129.3917 1956.7483 116.0124 -206691.9148 17909.3439 0.0000 0.0000 34194.4422 -149646.6959 298.6286 -183841.1381 -149544.9708 297.8921 32.8472 66.8922 555334.0528 11.0606 10.9351 PRESSURE: 200800 -198.289 -46.6379 122.489 -46.6366 -164.336 224.674 122.489 224.676 -459.007 GPRESSURE: 200800 -173.191 -59.0502 82.0041 -95.8033 -120.001 241.505 199.108 202.754 -437.909 PRESSAVG: 200800 40.7895 3.97364 23.9482 3.97371 10.1836 26.9818 23.9481 26.9818 -7.18719 GPRESSAVG: 200800 39.6828 3.74296 20.1975 6.60781 11.8718 26.0746 26.3267 26.7844 -7.8962 TIMING: 200800 CPU: 593.708, 0.0029606/step Wall: 593.708, 0.0029606/step, 3.9468 hours remaining, 203.121094 MB of memory in use. ENERGY: 200800 737.1780 2107.9377 1928.2363 112.4307 -206055.9972 17373.7585 0.0000 0.0000 34083.9690 -149712.4869 297.6638 -183796.4559 -149618.1957 298.0471 -273.8774 -243.7007 556928.2378 14.5953 14.5528 PRESSURE: 201000 -284.946 -150.712 -16.0274 -150.711 61.7799 7.78195 -16.0268 7.78091 -25.6553 GPRESSURE: 201000 -268.926 -191.195 -38.0841 -81.6538 136.77 71.4368 -33.4067 -15.4773 -28.7861 PRESSAVG: 201000 -33.7342 33.5955 78.0809 33.5957 76.3828 51.1273 78.0809 51.1273 -46.4664 GPRESSAVG: 201000 -32.6494 34.3427 80.5085 31.848 74.6471 52.74 76.6701 51.3656 -45.4727 TIMING: 201000 CPU: 594.304, 0.00298451/step Wall: 594.304, 0.00298451/step, 3.97851 hours remaining, 203.121094 MB of memory in use. ENERGY: 201000 741.3167 2160.7964 1967.6647 101.2918 -206665.2080 17797.4256 0.0000 0.0000 34065.0809 -149831.6319 297.4988 -183896.7128 -149737.1050 297.5910 -82.9404 -53.6474 556119.4965 -1.2726 -1.1583 PRESSURE: 201200 196.488 -45.7913 93.6782 -45.7922 60.8272 -10.3032 93.6772 -10.3029 -12.0871 GPRESSURE: 201200 217.371 -96.8427 67.5799 -0.181613 71.6458 -17.909 128.016 57.9015 47.9984 PRESSAVG: 201200 8.10414 -28.2116 26.2006 -28.2116 22.999 30.0078 26.2006 30.0078 -73.0773 GPRESSAVG: 201200 8.83498 -28.7291 26.2281 -26.1954 23.6576 26.5714 26.8379 30.5192 -74.6109 TIMING: 201200 CPU: 594.896, 0.00295705/step Wall: 594.896, 0.00295705/step, 3.94174 hours remaining, 203.121094 MB of memory in use. ENERGY: 201200 729.2149 2118.1783 1944.2208 111.2635 -206851.1081 18030.5202 0.0000 0.0000 34248.9121 -149668.7983 299.1043 -183917.7104 -149576.6326 297.9028 81.7428 112.3382 554872.5590 -13.9914 -14.0394 PRESSURE: 201400 72.2706 27.5617 72.9998 27.5615 -177.69 -25.4059 72.9999 -25.4054 139.367 GPRESSURE: 201400 103.212 33.935 67.9348 62.5419 -140.177 -23.6767 56.8501 -57.531 162.183 PRESSAVG: 201400 26.5067 -8.5297 2.21383 -8.52972 -12.8509 22.6423 2.21388 22.6424 -1.55077 GPRESSAVG: 201400 24.8739 -7.13846 0.604616 -8.20676 -12.8596 26.047 2.34655 20.9329 -0.259874 TIMING: 201400 CPU: 595.491, 0.00297502/step Wall: 595.491, 0.00297502/step, 3.96554 hours remaining, 203.121094 MB of memory in use. ENERGY: 201400 720.6297 2115.8853 1948.4699 106.4838 -206599.8637 17795.9253 0.0000 0.0000 34269.0070 -149643.4626 299.2798 -183912.4696 -149549.8869 297.9006 11.3159 41.7392 555463.0184 4.0350 3.9181 PRESSURE: 201600 128.725 86.4473 -22.2583 86.4492 -73.5722 159.857 -22.2594 159.858 -294.687 GPRESSURE: 201600 199.168 169.83 34.2829 48.7384 -74.7954 138.555 -47.5664 218.594 -252.567 PRESSAVG: 201600 -48.1236 63.2462 34.4626 63.2461 36.6942 -47.205 34.4626 -47.205 3.11515 GPRESSAVG: 201600 -47.1822 63.9128 33.7858 60.7238 36.3867 -49.3519 34.9821 -45.676 2.02825 TIMING: 201600 CPU: 596.081, 0.00295302/step Wall: 596.081, 0.00295302/step, 3.93605 hours remaining, 203.121094 MB of memory in use. ENERGY: 201600 741.0356 2140.7088 1951.4795 107.6342 -206427.1431 17853.4723 0.0000 0.0000 34219.9402 -149412.8725 298.8512 -183632.8127 -149320.4424 298.7811 -79.8447 -42.7316 557724.7855 -2.7714 -2.9224 PRESSURE: 201800 -424.203 171.878 -45.4158 171.878 86.6299 65.1244 -45.4154 65.1247 -179.236 GPRESSURE: 201800 -419.392 110.635 46.2586 164.032 121.21 -26.507 -53.8374 50.5569 -127.42 PRESSAVG: 201800 -55.7631 56.3511 -28.432 56.3511 24.1049 13.1171 -28.432 13.1171 16.9547 GPRESSAVG: 201800 -55.6309 54.0898 -29.4534 57.1875 23.0556 13.2595 -27.1734 12.8255 17.5758 TIMING: 201800 CPU: 596.673, 0.00295786/step Wall: 596.673, 0.00295786/step, 3.94233 hours remaining, 203.121094 MB of memory in use. ENERGY: 201800 755.3100 2104.6668 1955.4296 114.9733 -206069.0736 17638.0074 0.0000 0.0000 34290.8618 -149209.8248 299.4706 -183500.6865 -149105.2418 298.6128 -172.2699 -141.8676 558603.9350 -4.9012 -4.9998 PRESSURE: 202000 -51.4331 -251.619 158.405 -251.62 -23.3966 3.39223 158.404 3.3911 -330.062 GPRESSURE: 202000 11.3798 -179.193 93.0011 -214.205 -0.154185 52.9682 123.009 47.0012 -307.301 PRESSAVG: 202000 -53.4034 5.9738 -6.46431 5.97382 65.7754 -10.7587 -6.46431 -10.7586 -38.0514 GPRESSAVG: 202000 -53.0001 5.46128 -3.04458 5.20411 66.3459 -9.07228 -8.83948 -12.1511 -39.2972 TIMING: 202000 CPU: 597.261, 0.00294182/step Wall: 597.261, 0.00294182/step, 3.92079 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: 202000 689.3016 2067.5957 1958.3925 114.9551 -205976.1249 17523.7917 0.0000 0.0000 34379.1094 -149242.9789 300.2413 -183622.0883 -149146.8339 298.9171 -134.9637 -98.6917 556851.8267 -8.5598 -8.6505 PRESSURE: 202200 36.6523 -19.2048 -91.2555 -19.2055 -0.326242 -13.4577 -91.2541 -13.4592 -110.265 GPRESSURE: 202200 38.1369 3.9517 -71.0344 -1.29336 56.0781 38.9313 -102.98 -50.6004 -75.9051 PRESSAVG: 202200 -3.70738 -14.3527 23.7454 -14.3526 8.77151 -0.402088 23.7455 -0.402137 -19.2918 GPRESSAVG: 202200 -4.94147 -15.0507 21.2985 -13.5501 8.70625 -0.688107 26.0056 1.0971 -18.7608 TIMING: 202200 CPU: 597.847, 0.00292619/step Wall: 597.847, 0.00292619/step, 3.8998 hours remaining, 203.121094 MB of memory in use. ENERGY: 202200 718.6562 2074.5606 1952.5133 103.6118 -206475.1880 17747.6735 0.0000 0.0000 34337.2719 -149540.9006 299.8759 -183878.1725 -149455.2197 298.9187 -24.6465 6.1033 556284.3859 -4.7426 -4.9987 PRESSURE: 202400 -100.717 -81.209 -28.4978 -81.2076 -133.055 -116.417 -28.4979 -116.416 332.978 GPRESSURE: 202400 -85.2035 -115.129 -37.5515 -47.7749 -101.091 -157.526 48.5749 -128.729 375.485 PRESSAVG: 202400 27.7535 -41.0623 -49.0843 -41.0622 -57.8521 -13.514 -49.0843 -13.514 28.6968 GPRESSAVG: 202400 27.1757 -38.9458 -47.6453 -42.4336 -57.4037 -14.0031 -49.625 -15.3258 29.1327 TIMING: 202400 CPU: 598.436, 0.00294713/step Wall: 598.436, 0.00294713/step, 3.92755 hours remaining, 203.121094 MB of memory in use. ENERGY: 202400 746.9756 2120.6237 1967.5054 114.7943 -206118.0640 17763.7283 0.0000 0.0000 34016.1686 -149388.2681 297.0717 -183404.4367 -149288.2726 298.0732 33.0685 63.0635 557563.6641 -0.4672 -0.3651 PRESSURE: 202600 62.1197 127.279 -33.2886 127.279 12.5666 -72.316 -33.2871 -72.3149 105.156 GPRESSURE: 202600 85.9007 37.9046 -28.6322 146.938 38.6614 -130.385 16.2636 -39.6867 152.527 PRESSAVG: 202600 -61.3036 42.9708 -57.5274 42.9708 36.2996 -13.8963 -57.5276 -13.8963 26.179 GPRESSAVG: 202600 -60.9197 43.6787 -56.8408 44.8669 35.4731 -16.1578 -58.7659 -10.7217 26.3395 TIMING: 202600 CPU: 599.027, 0.00295709/step Wall: 599.027, 0.00295709/step, 3.94064 hours remaining, 203.121094 MB of memory in use. ENERGY: 202600 683.3138 2121.1741 1975.1233 114.8285 -205912.1871 17702.5571 0.0000 0.0000 34042.4882 -149272.7021 297.3015 -183315.1903 -149178.4034 298.7011 59.9473 92.3631 557976.3875 0.3917 0.2976 PRESSURE: 202800 38.0423 -18.8959 8.95915 -18.8969 -219.245 103.505 8.95934 103.504 -11.3039 GPRESSURE: 202800 67.3327 -129.315 -28.663 -1.49763 -140.752 86.0281 46.5072 170.032 -6.33116 PRESSAVG: 202800 -3.57478 59.4615 -46.329 59.4614 -45.8233 -1.59963 -46.329 -1.59964 8.52688 GPRESSAVG: 202800 -3.90846 57.8754 -47.7799 58.809 -45.483 0.13623 -46.2678 -1.52235 8.22593 TIMING: 202800 CPU: 599.615, 0.00293807/step Wall: 599.615, 0.00293807/step, 3.91514 hours remaining, 203.121094 MB of memory in use. ENERGY: 202800 720.1134 2070.5820 1974.9375 97.0449 -205771.0361 17596.8499 0.0000 0.0000 34067.5573 -149243.9510 297.5205 -183311.5083 -149142.2980 299.4737 -64.1688 -26.5835 559387.2132 -13.6237 -13.7218 PRESSURE: 203000 -239.335 127.093 -91.524 127.093 -209.424 -133.812 -91.5229 -133.812 12.6961 GPRESSURE: 203000 -231.459 169.78 -32.4675 9.8961 -134.511 -82.5318 -61.9929 -246.15 26.4606 PRESSAVG: 203000 -70.9406 33.1227 -46.8527 33.1228 1.97542 -36.333 -46.8527 -36.3329 99.2278 GPRESSAVG: 203000 -70.1445 33.6933 -45.4672 33.343 1.30799 -33.5768 -48.0731 -40.5314 98.7508 TIMING: 203000 CPU: 600.203, 0.00293816/step Wall: 600.203, 0.00293816/step, 3.9151 hours remaining, 203.121094 MB of memory in use. ENERGY: 203000 757.3596 2131.8004 1967.3928 107.7463 -205838.8973 17541.9514 0.0000 0.0000 34110.2982 -149222.3485 297.8937 -183332.6467 -149130.3420 298.3770 -145.3543 -113.1699 558185.3187 10.0876 9.9714 PRESSURE: 203200 -144.009 140.293 -153.877 140.293 -403.018 80.2911 -153.877 80.2909 -199.824 GPRESSURE: 203200 -92.0669 106.926 -216.353 189.822 -364.262 88.9345 -183.982 84.3058 -190.908 PRESSAVG: 203200 62.0314 57.4494 27.6864 57.4494 -12.2686 -36.0272 27.6864 -36.0271 -2.99549 GPRESSAVG: 203200 61.5406 55.4913 25.7454 58.0719 -11.9617 -37.0797 28.8516 -33.0824 -2.99316 TIMING: 203200 CPU: 600.791, 0.00294137/step Wall: 600.791, 0.00294137/step, 3.91921 hours remaining, 203.121094 MB of memory in use. ENERGY: 203200 756.4790 2054.7168 1967.9571 103.1821 -205589.2119 17508.3948 0.0000 0.0000 34171.1403 -149027.3418 298.4251 -183198.4820 -148922.9145 298.8966 -248.9505 -215.7458 559140.4880 15.5891 15.5286 PRESSURE: 203400 -148.782 -197.114 100.812 -197.115 -183.154 73.0332 100.811 73.0336 -209.702 GPRESSURE: 203400 -114.775 -179.255 101.105 -195.348 -130.575 83.4516 101.892 -9.5906 -199.915 PRESSAVG: 203400 -57.7394 20.3855 1.50709 20.3854 27.1843 32.4959 1.50717 32.4959 30.4658 GPRESSAVG: 203400 -57.9821 21.701 2.58759 20.1053 27.5895 32.1265 2.43476 30.9403 30.77 TIMING: 203400 CPU: 601.381, 0.00295204/step Wall: 601.381, 0.00295204/step, 3.93326 hours remaining, 203.121094 MB of memory in use. ENERGY: 203400 797.7814 2072.6285 1950.3098 110.1013 -205775.4416 17570.3945 0.0000 0.0000 34316.5514 -148957.6747 299.6950 -183274.2261 -148871.1150 299.1656 -180.5464 -148.4217 558021.7718 -0.0297 0.1258 PRESSURE: 203600 -52.4723 92.9522 -38.0933 92.9509 -139.328 -113.27 -38.0944 -113.271 -46.8995 GPRESSURE: 203600 -66.6933 173.176 -42.4032 125.741 -120.758 -75.9264 -30.9878 -36.5146 36.783 PRESSAVG: 203600 -30.0469 -2.78684 -41.005 -2.78682 -15.1804 7.2214 -41.005 7.22132 53.0388 GPRESSAVG: 203600 -30.9106 -1.19593 -40.5535 -3.94891 -15.5289 6.73668 -43.5524 12.3249 53.7554 TIMING: 203600 CPU: 601.976, 0.00297204/step Wall: 601.976, 0.00297204/step, 3.95975 hours remaining, 203.121094 MB of memory in use. ENERGY: 203600 745.0793 2103.1910 1971.5677 117.7882 -206045.4248 17626.7443 0.0000 0.0000 34214.1130 -149266.9413 298.8004 -183481.0543 -149172.7396 299.4494 -79.5667 -50.2227 557476.7203 2.6038 2.4386 PRESSURE: 203800 -124.022 18.8796 2.51181 18.8798 -167.528 12.316 2.51125 12.3147 44.2265 GPRESSURE: 203800 -101.107 23.9598 92.2763 31.42 -106.99 -19.5262 -2.76304 96.3257 52.3753 PRESSAVG: 203800 25.0666 -18.1173 -54.7704 -18.1173 -15.8597 21.9854 -54.7704 21.9855 1.16078 GPRESSAVG: 203800 26.2668 -18.9538 -54.2068 -17.359 -16.5646 22.1245 -54.6532 18.7949 0.850657 TIMING: 203800 CPU: 602.573, 0.00298593/step Wall: 602.573, 0.00298593/step, 3.97809 hours remaining, 203.121094 MB of memory in use. ENERGY: 203800 757.0369 2069.5242 1915.3027 116.8423 -206143.9066 17754.8474 0.0000 0.0000 34140.8915 -149389.4616 298.1609 -183530.3532 -149280.3252 299.3941 -82.4412 -51.9072 556950.8722 3.4559 3.5176 PRESSURE: 204000 -207.142 56.2022 115.145 56.2011 77.1973 -132.19 115.144 -132.189 113.81 GPRESSURE: 204000 -133.664 101.136 143.982 64.732 69.4493 -82.9864 115.076 -103.941 152.656 PRESSAVG: 204000 -40.054 23.6145 -29.3989 23.6144 -10.1662 8.17889 -29.3988 8.17892 30.7674 GPRESSAVG: 204000 -38.8523 25.4976 -31.6461 21.6 -10.5453 7.41443 -27.6521 7.88849 30.1037 TIMING: 204000 CPU: 603.167, 0.00296841/step Wall: 603.167, 0.00296841/step, 3.95459 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: 204000 766.8842 2037.6916 1933.3724 132.3612 -206294.0981 17785.8272 0.0000 0.0000 34245.7312 -149392.2303 299.0765 -183637.9614 -149304.2432 298.9430 -5.3784 29.4804 555509.1067 -6.4843 -6.4313 PRESSURE: 204200 127.978 -50.0159 -100.264 -50.0161 149.291 -98.317 -100.264 -98.3157 128.563 GPRESSURE: 204200 171.726 -89.8916 -6.82081 -37.5419 143.847 -53.7307 -108.964 -115.208 191.313 PRESSAVG: 204200 -1.3806 20.2864 -2.02714 20.2863 22.9056 3.48401 -2.02712 3.48401 -8.99923 GPRESSAVG: 204200 -2.39363 20.8945 -0.556784 20.1924 23.1865 4.26819 -1.66313 3.23714 -8.44783 TIMING: 204200 CPU: 603.756, 0.00294722/step Wall: 603.756, 0.00294722/step, 3.92619 hours remaining, 203.121094 MB of memory in use. ENERGY: 204200 723.1119 2078.8561 1933.1774 132.6520 -206429.8671 17958.9578 0.0000 0.0000 34321.6157 -149281.4963 299.7392 -183603.1120 -149180.2662 299.3623 135.2775 168.9622 556804.7682 4.1753 4.1150 LDB: ============= START OF LOAD BALANCING ============== 607.182 LDB: ============== END OF LOAD BALANCING =============== 607.182 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 607.184 LDB: ============= START OF LOAD BALANCING ============== 607.478 LDB: Largest compute 4848 load 0.030885 is 26.2% of average load 0.117720 LDB: Average compute 0.001740 is 1.5% of average load 0.117720 LDB: TIME 607.48 LOAD: AVG 0.11772 MAX 0.196194 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.148 MB LDB: TIME 607.481 LOAD: AVG 0.11772 MAX 0.196194 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.391 MB LDB: TIME 607.481 LOAD: AVG 0.11772 MAX 0.196194 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.391 MB LDB: ============== END OF LOAD BALANCING =============== 607.483 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 607.487 PRESSURE: 204400 -248.865 66.7879 27.7625 66.7883 -270.983 29.5481 27.7631 29.5484 30.9344 GPRESSURE: 204400 -181.586 27.9661 60.7824 131.767 -228.865 -9.45169 42.341 -1.19969 24.4568 PRESSAVG: 204400 -51.588 -4.12217 -16.3896 -4.12224 -23.1198 -16.4974 -16.3895 -16.4974 83.1145 GPRESSAVG: 204400 -51.4827 -6.63699 -16.6054 -0.567689 -22.28 -16.3009 -17.2337 -17.7927 82.4757 TIMING: 204400 CPU: 604.357, 0.00300409/step Wall: 604.357, 0.00300409/step, 4.00178 hours remaining, 202.777344 MB of memory in use. ENERGY: 204400 746.7994 2097.0445 1949.2708 101.5580 -205783.1378 17488.4839 0.0000 0.0000 34205.2579 -149194.7234 298.7230 -183399.9813 -149098.0383 299.6793 -162.9711 -128.6647 558239.4679 2.8023 2.9043 PRESSURE: 204600 -92.5882 -124.148 -105.193 -124.146 345.445 -35.6439 -105.193 -35.6442 -32.5918 GPRESSURE: 204600 -1.67591 -114.811 -100.302 -120.464 302.397 -53.0064 -45.5895 -11.161 9.01794 PRESSAVG: 204600 -16.5201 -57.5893 -54.5977 -57.5893 6.36311 30.421 -54.5977 30.421 19.3183 GPRESSAVG: 204600 -16.5407 -57.6573 -54.8659 -59.1126 7.31842 28.9536 -53.1802 32.1741 18.003 TIMING: 204600 CPU: 604.951, 0.00296789/step Wall: 604.951, 0.00296789/step, 3.95339 hours remaining, 202.777344 MB of memory in use. ENERGY: 204600 742.0822 2090.9456 1922.0307 113.4200 -206299.5506 17929.9865 0.0000 0.0000 34206.7977 -149294.2880 298.7365 -183501.0857 -149197.9759 299.4591 73.4217 103.2464 557642.6241 3.0538 2.9269 PRESSURE: 204800 24.474 30.9203 -92.3618 30.9208 146.732 148.955 -92.3634 148.955 -13.7102 GPRESSURE: 204800 61.8385 -2.16311 -68.4141 72.3822 130.432 48.299 -50.4897 212.75 47.6195 PRESSAVG: 204800 -56.481 -54.2631 -22.2765 -54.263 39.4117 23.7945 -22.2766 23.7945 45.7018 GPRESSAVG: 204800 -56.3847 -53.428 -20.739 -54.5789 38.8636 24.945 -21.7385 22.928 46.3937 TIMING: 204800 CPU: 605.546, 0.00297518/step Wall: 605.546, 0.00297518/step, 3.96293 hours remaining, 202.777344 MB of memory in use. ENERGY: 204800 743.3706 2076.9695 1935.9293 105.7618 -206277.3926 17836.4790 0.0000 0.0000 34297.5690 -149281.3133 299.5292 -183578.8823 -149191.0675 299.2009 52.4986 79.9632 557500.2661 9.5441 9.6242 PRESSURE: 205000 -112.436 -128.29 -236.396 -128.291 -360.721 133.87 -236.397 133.87 -437.245 GPRESSURE: 205000 -80.7897 -194.821 -237.762 -176.059 -353.675 129.495 -222.569 69.1282 -394.962 PRESSAVG: 205000 8.48751 -60.1888 -35.5289 -60.1888 -42.1102 -18.3581 -35.529 -18.3579 32.7836 GPRESSAVG: 205000 8.24602 -61.3446 -37.3294 -60.7805 -42.5767 -20.9858 -37.0151 -17.7655 34.3867 TIMING: 205000 CPU: 606.135, 0.00294921/step Wall: 606.135, 0.00294921/step, 3.92819 hours remaining, 202.808594 MB of memory in use. ENERGY: 205000 729.7562 2180.0035 1959.4359 116.7537 -206057.9353 17434.3270 0.0000 0.0000 34307.0617 -149330.5973 299.6121 -183637.6590 -149234.8946 299.1069 -303.4675 -276.4755 557735.1950 -0.2797 0.0187 PRESSURE: 205200 -30.6962 113.515 58.6233 113.516 -16.9997 -90.1551 58.6239 -90.1561 235.853 GPRESSURE: 205200 43.6509 139.484 108.922 64.5877 -30.0033 -31.3948 -22.0712 -105.817 267.7 PRESSAVG: 205200 -12.1583 -7.49137 -15.1085 -7.49141 -46.6805 -16.5284 -15.1086 -16.5284 26.4764 GPRESSAVG: 205200 -12.0731 -7.87616 -11.6786 -7.15577 -44.951 -13.4211 -15.9047 -17.8262 24.4549 TIMING: 205200 CPU: 606.723, 0.00293877/step Wall: 606.723, 0.00293877/step, 3.91411 hours remaining, 202.808594 MB of memory in use. ENERGY: 205200 768.5062 2203.4875 1923.7528 122.2620 -206679.8179 18046.9085 0.0000 0.0000 34396.9410 -149217.9599 300.3970 -183614.9009 -149123.4809 299.2826 62.7192 93.7826 557472.2498 -10.7875 -10.8564 PRESSURE: 205400 -83.6551 3.51229 -101.561 3.51178 69.974 -152.338 -101.561 -152.338 95.8104 GPRESSURE: 205400 -26.2781 -49.2006 -153.116 71.7176 90.3069 -184.948 -30.0735 -105.442 105.489 PRESSAVG: 205400 -27.8277 5.48927 -49.9616 5.48921 60.2567 -42.7684 -49.9616 -42.7683 3.50991 GPRESSAVG: 205400 -27.3644 6.61095 -53.3716 5.32244 60.3288 -43.3198 -47.8039 -43.5021 3.36207 TIMING: 205400 CPU: 607.311, 0.00293839/step Wall: 607.311, 0.00293839/step, 3.91345 hours remaining, 202.808594 MB of memory in use. ENERGY: 205400 769.9927 2069.8519 1964.2719 105.9677 -206310.1429 17894.8728 0.0000 0.0000 34292.1773 -149213.0086 299.4821 -183505.1859 -149116.8886 298.5762 27.3764 56.5059 558295.9762 11.9796 12.1088 PRESSURE: 205600 -67.1796 -13.7098 23.6549 -13.7108 6.88482 -26.1849 23.6557 -26.1845 -385.773 GPRESSURE: 205600 -85.1363 48.3407 5.42406 -39.223 43.7655 4.11846 49.1271 -122.939 -314.833 PRESSAVG: 205600 -20.6777 -36.4274 -63.5483 -36.4273 69.4153 -53.9102 -63.5483 -53.9103 -20.1836 GPRESSAVG: 205600 -22.6393 -37.6507 -62.1575 -37.2503 68.5117 -53.6523 -65.1333 -54.6545 -17.0048 TIMING: 205600 CPU: 607.904, 0.00296547/step Wall: 607.904, 0.00296547/step, 3.94935 hours remaining, 202.808594 MB of memory in use. ENERGY: 205600 777.1058 2132.4823 1988.9038 115.4573 -206037.2125 17671.6750 0.0000 0.0000 34229.5117 -149122.0766 298.9348 -183351.5883 -149024.3525 299.0321 -148.6893 -118.7346 558899.2056 9.5180 9.6225 PRESSURE: 205800 282.497 147.236 24.1385 147.237 38.9113 -149.033 24.1389 -149.035 -144.626 GPRESSURE: 205800 316.692 86.3943 -8.27817 105.569 70.2003 -95.2336 12.2656 -156.576 -113.155 PRESSAVG: 205800 51.1708 -17.6377 -41.6339 -17.6376 -27.4334 -41.0087 -41.634 -41.0086 -33.6612 GPRESSAVG: 205800 53.8193 -16.9917 -42.2567 -17.9396 -28.1486 -40.4211 -38.9314 -39.8111 -35.127 TIMING: 205800 CPU: 608.492, 0.00294182/step Wall: 608.492, 0.00294182/step, 3.91768 hours remaining, 202.808594 MB of memory in use. ENERGY: 205800 714.7641 2101.8171 1960.9340 100.9096 -205905.4890 17824.8253 0.0000 0.0000 34084.8343 -149117.4047 297.6713 -183202.2391 -149025.1689 299.1822 58.9274 91.2455 557699.9634 -3.3080 -3.1521 PRESSURE: 206000 -268.718 -184.845 5.98713 -184.846 110.059 58.801 5.98747 58.801 -55.6067 GPRESSURE: 206000 -228.537 -177.704 -25.9808 -144.071 143.587 -28.8808 -52.1122 109.062 -30.2825 PRESSAVG: 206000 20.9247 -32.8142 -25.1378 -32.8141 -21.3956 -51.5018 -25.1377 -51.5017 -7.03511 GPRESSAVG: 206000 19.6456 -32.3421 -26.604 -31.1828 -21.6343 -52.184 -25.2892 -50.8919 -5.743 TIMING: 206000 CPU: 609.078, 0.0029265/step Wall: 609.078, 0.0029265/step, 3.89712 hours remaining, 202.808594 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: 206000 741.5891 2084.8727 1955.2167 110.6776 -206237.4785 17963.9911 0.0000 0.0000 34325.9631 -149055.1682 299.7772 -183381.1313 -148955.0727 299.1535 -71.4221 -38.4110 558864.5708 -2.5020 -2.5772 PRESSURE: 206200 -39.8569 -5.18656 84.2596 -5.18603 -59.0325 -109.702 84.2587 -109.701 229.068 GPRESSURE: 206200 -104.294 -61.0395 31.2906 -33.576 43.8334 -145.981 45.1131 -66.9765 285.545 PRESSAVG: 206200 -23.5877 4.9475 34.7177 4.94745 -16.8698 -33.0751 34.7177 -33.075 29.3007 GPRESSAVG: 206200 -23.6422 3.89473 33.6208 4.76159 -16.0358 -33.9719 32.8345 -33.9146 27.6633 TIMING: 206200 CPU: 609.662, 0.0029213/step Wall: 609.662, 0.0029213/step, 3.89004 hours remaining, 202.808594 MB of memory in use. ENERGY: 206200 735.2415 2042.1236 1945.8261 108.0195 -206529.7046 18033.3822 0.0000 0.0000 34483.1080 -149182.0036 301.1496 -183665.1116 -149086.6324 299.0095 43.3929 75.0280 557047.1812 -3.7189 -4.0049 PRESSURE: 206400 -18.9894 -95.2714 129.448 -95.2713 16.9868 -42.1943 129.447 -42.1935 61.0831 GPRESSURE: 206400 5.8119 -22.962 178.355 -35.299 62.2909 -129.592 153.249 89.9761 81.6118 PRESSAVG: 206400 30.506 4.17664 -19.1428 4.17659 -2.44623 5.91539 -19.1428 5.91548 -29.897 GPRESSAVG: 206400 30.631 4.4947 -15.0602 5.64197 -3.38754 5.6565 -21.1218 7.67726 -29.1285 TIMING: 206400 CPU: 610.253, 0.00295508/step Wall: 610.253, 0.00295508/step, 3.93485 hours remaining, 202.808594 MB of memory in use. ENERGY: 206400 701.1222 2126.9634 1938.3380 119.5312 -206237.5794 17877.7968 0.0000 0.0000 34193.1874 -149280.6404 298.6176 -183473.8278 -149191.5756 299.0768 19.6935 49.9049 558226.8613 -0.6124 -0.6283 PRESSURE: 206600 -196.774 127.958 -110.051 127.958 37.3583 88.678 -110.051 88.6782 -278.746 GPRESSURE: 206600 -157.999 121.894 -172.768 103.043 95.0346 5.40301 -44.1052 117.588 -291.187 PRESSAVG: 206600 43.7519 44.8434 -16.6641 44.8434 7.76278 21.4139 -16.6641 21.414 -50.4401 GPRESSAVG: 206600 43.5787 47.1743 -18.3742 40.7823 8.00836 20.9369 -16.8892 19.8227 -50.4155 TIMING: 206600 CPU: 610.845, 0.00295881/step Wall: 610.845, 0.00295881/step, 3.93966 hours remaining, 202.808594 MB of memory in use. ENERGY: 206600 732.8131 2103.9136 1961.9279 102.7653 -205823.5869 17506.8637 0.0000 0.0000 34175.9641 -149239.3392 298.4672 -183415.3032 -149145.3456 299.0690 -146.0537 -118.0506 558585.7449 0.3582 0.3905 PRESSURE: 206800 -34.0065 -126.946 -110.801 -126.946 -309.343 100.926 -110.801 100.927 -136.13 GPRESSURE: 206800 -13.7457 -100.085 -41.3965 -11.098 -283.301 168.432 -50.9919 61.142 -86.2072 PRESSAVG: 206800 52.7759 28.0599 -72.0717 28.0598 22.9037 36.5402 -72.0717 36.5402 -54.8333 GPRESSAVG: 206800 52.2431 27.0217 -69.6028 31.0404 23.279 36.0584 -69.7819 37.3026 -55.732 TIMING: 206800 CPU: 611.439, 0.00297006/step Wall: 611.439, 0.00297006/step, 3.95447 hours remaining, 202.808594 MB of memory in use. ENERGY: 206800 766.1957 2092.5947 1962.5615 102.3701 -206055.5532 17771.4670 0.0000 0.0000 34121.2040 -149239.1603 297.9890 -183360.3643 -149149.0079 298.9813 -159.8265 -127.7515 558799.4427 6.9488 6.5967 PRESSURE: 207000 219.367 -86.7548 -102.744 -86.756 -7.29872 288.919 -102.743 288.917 460.655 GPRESSURE: 207000 273.202 -139.705 -114.671 61.393 1.3787 393.625 -102.968 208.21 500.899 PRESSAVG: 207000 -9.61378 -16.1871 -5.16064 -16.1871 32.5552 44.824 -5.1607 44.8241 -13.4126 GPRESSAVG: 207000 -9.35865 -15.7731 -10.1113 -15.7398 32.9789 45.5204 -5.18528 43.8418 -14.1698 TIMING: 207000 CPU: 612.031, 0.00296209/step Wall: 612.031, 0.00296209/step, 3.94369 hours remaining, 202.808594 MB of memory in use. ENERGY: 207000 706.1547 2120.7341 1940.6865 111.6936 -206451.9738 18160.9769 0.0000 0.0000 34238.2098 -149173.5183 299.0108 -183411.7281 -149073.0202 299.2111 224.2411 258.4930 558640.7871 3.1763 3.1501 PRESSURE: 207200 -77.7716 -51.2032 -81.6171 -51.2037 -192.56 1.2293 -81.6169 1.22867 -386.582 GPRESSURE: 207200 -24.4635 -56.6692 -75.7131 67.581 -188.472 -25.6471 -81.9218 35.4322 -352.568 PRESSAVG: 207200 35.3076 31.2648 -28.7862 31.2649 -113.665 9.51 -28.7861 9.50994 59.6918 GPRESSAVG: 207200 34.7091 30.7554 -25.9234 31.6774 -114.218 9.76992 -28.3353 9.53934 61.1125 TIMING: 207200 CPU: 612.621, 0.00295147/step Wall: 612.621, 0.00295147/step, 3.92939 hours remaining, 202.808594 MB of memory in use. ENERGY: 207200 707.5412 2120.5922 1969.3764 109.0019 -205515.6344 17400.9885 0.0000 0.0000 34276.8434 -148931.2907 299.3482 -183208.1341 -148829.4817 299.3578 -218.9710 -188.5011 559201.5529 -6.2220 -6.1323 PRESSURE: 207400 10.925 -5.52863 159.036 -5.52904 102.329 2.72918 159.034 2.72828 95.2461 GPRESSURE: 207400 67.209 48.3054 205.196 32.151 170.93 2.40293 139.237 92.7036 68.9823 PRESSAVG: 207400 11.5105 -35.2831 -0.431717 -35.2831 -9.16466 30.2688 -0.431647 30.2688 0.40346 GPRESSAVG: 207400 12.4223 -34.9712 -0.776478 -33.9159 -8.60607 30.9395 -0.472316 32.2868 -0.684537 TIMING: 207400 CPU: 613.211, 0.00294773/step Wall: 613.211, 0.00294773/step, 3.92425 hours remaining, 202.808594 MB of memory in use. ENERGY: 207400 725.7521 2096.1813 1972.4495 115.5537 -206310.5301 17975.3111 0.0000 0.0000 34461.9600 -148963.3224 300.9649 -183425.2824 -148858.2112 299.3944 69.5000 102.3738 557705.3679 0.9164 1.0439 PRESSURE: 207600 -129.809 26.3187 2.35392 26.3205 -290.004 61.2468 2.35396 61.2467 -65.9077 GPRESSURE: 207600 -78.4603 -11.3896 65.753 -49.1204 -239.951 44.8162 -19.6859 134.987 -72.182 PRESSAVG: 207600 -70.9192 -16.8313 45.1484 -16.8313 29.0114 7.2699 45.1484 7.26996 5.93428 GPRESSAVG: 207600 -70.5919 -15.7431 44.7334 -20.4159 28.4227 5.54447 43.7923 8.08132 6.0766 TIMING: 207600 CPU: 613.798, 0.0029365/step Wall: 613.798, 0.0029365/step, 3.90913 hours remaining, 202.808594 MB of memory in use. ENERGY: 207600 756.3809 2061.0107 1972.6702 119.8207 -205918.3726 17608.2016 0.0000 0.0000 34321.0905 -149079.1980 299.7346 -183400.2884 -148978.4524 299.4033 -161.9067 -130.1978 557297.3766 -11.9912 -12.0309 PRESSURE: 207800 104.073 -39.463 17.046 -39.4626 124.149 132.865 17.0448 132.864 20.0613 GPRESSURE: 207800 123.219 -19.0172 -101.716 -45.605 187.626 186.278 51.1155 216.904 32.6685 PRESSAVG: 207800 25.5036 24.8781 42.49 24.878 32.6759 30.2056 42.49 30.2056 -6.21157 GPRESSAVG: 207800 25.2688 22.8562 43.3894 25.706 33.0896 30.723 43.169 29.1138 -6.2991 TIMING: 207800 CPU: 614.39, 0.0029602/step Wall: 614.39, 0.0029602/step, 3.94052 hours remaining, 202.808594 MB of memory in use. ENERGY: 207800 721.1191 2121.2984 1940.0328 110.3995 -206229.5150 18055.2262 0.0000 0.0000 34227.2090 -149054.2300 298.9147 -183281.4390 -148954.8126 299.7780 82.7612 114.5042 556723.2822 17.3227 17.3531 PRESSURE: 208000 -283.484 30.2193 -50.7775 30.2193 -99.951 -21.4803 -50.7768 -21.4797 -55.578 GPRESSURE: 208000 -263.674 26.1256 -28.1771 20.9788 -37.4698 -71.8981 13.7666 -51.5392 -43.7607 PRESSAVG: 208000 -47.7119 28.3526 -29.938 28.3525 2.5474 63.6925 -29.9381 63.6926 34.1109 GPRESSAVG: 208000 -48.1342 29.204 -28.9395 29.0704 2.87851 62.4692 -29.4842 63.6056 34.9593 TIMING: 208000 CPU: 614.978, 0.00293909/step Wall: 614.978, 0.00293909/step, 3.91225 hours remaining, 202.808594 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: 208000 760.6550 2123.2837 1937.4339 99.7480 -206001.4513 17560.1247 0.0000 0.0000 34260.0515 -149260.1545 299.2016 -183520.2060 -149170.1022 298.6872 -146.3375 -114.9681 557245.6870 -3.6845 -3.4322 PRESSURE: 208200 315.775 105.295 -150.094 105.294 261.74 151.601 -150.094 151.601 -126.167 GPRESSURE: 208200 286.985 82.0575 -243.453 235.205 274.517 -4.18627 -93.4945 180.214 -2.4986 PRESSAVG: 208200 40.0185 -35.7739 -17.3822 -35.7738 17.9375 5.84727 -17.3823 5.84722 -45.9746 GPRESSAVG: 208200 40.722 -34.9078 -19.7849 -35.8209 18.0607 7.39562 -16.459 6.06458 -46.3558 TIMING: 208200 CPU: 615.563, 0.00292539/step Wall: 615.563, 0.00292539/step, 3.89386 hours remaining, 202.808594 MB of memory in use. ENERGY: 208200 724.8935 2142.4068 1946.8309 114.4208 -206788.3230 18078.1464 0.0000 0.0000 34287.2624 -149494.3624 299.4392 -183781.6247 -149398.6434 298.4253 150.4495 186.3342 556243.3736 3.9938 4.1423 LDB: ============= START OF LOAD BALANCING ============== 618.989 LDB: ============== END OF LOAD BALANCING =============== 618.989 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 618.991 LDB: ============= START OF LOAD BALANCING ============== 619.286 LDB: Largest compute 4848 load 0.029762 is 25.3% of average load 0.117793 LDB: Average compute 0.001744 is 1.5% of average load 0.117793 LDB: TIME 619.288 LOAD: AVG 0.117793 MAX 0.197172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.633 MB LDB: TIME 619.288 LOAD: AVG 0.117793 MAX 0.197172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.836 MB LDB: TIME 619.288 LOAD: AVG 0.117793 MAX 0.197172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.836 MB LDB: ============== END OF LOAD BALANCING =============== 619.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 619.294 PRESSURE: 208400 -47.8143 124.275 -187.2 124.275 -9.20053 108.535 -187.199 108.535 124.519 GPRESSURE: 208400 50.0865 60.0264 -143.774 120.476 20.3105 133.246 -136.104 125.646 90.3418 PRESSAVG: 208400 -15.9841 8.88102 -18.1087 8.88108 72.0978 35.808 -18.1088 35.808 -19.3141 GPRESSAVG: 208400 -16.2891 7.32018 -16.4965 7.49556 70.836 35.0401 -18.3609 36.0502 -17.9848 TIMING: 208400 CPU: 616.165, 0.0030079/step Wall: 616.165, 0.0030079/step, 4.00351 hours remaining, 202.234375 MB of memory in use. ENERGY: 208400 732.9587 2033.5557 1944.9962 111.0283 -206208.4099 17780.0799 0.0000 0.0000 34114.3223 -149491.4689 297.9289 -183605.7911 -149390.2016 298.5577 22.5012 53.5796 556991.6701 12.2665 12.1874 PRESSURE: 208600 -210.724 -90.9148 62.3621 -90.9143 348.428 -126.482 62.3613 -126.482 -257.453 GPRESSURE: 208600 -155.901 -129.159 -1.3478 -34.557 330.604 -195.307 23.697 -58.1122 -202.07 PRESSAVG: 208600 -44.0785 -39.065 23.9008 -39.065 48.616 -25.9373 23.9008 -25.9372 7.84442 GPRESSAVG: 208600 -43.3185 -40.5731 23.642 -37.339 49.2476 -25.1272 22.3956 -27.263 6.47053 TIMING: 208600 CPU: 616.753, 0.00294347/step Wall: 616.753, 0.00294347/step, 3.9176 hours remaining, 202.234375 MB of memory in use. ENERGY: 208600 714.1851 2151.3567 1939.6551 115.5511 -206021.8509 17564.8457 0.0000 0.0000 34104.1012 -149432.1560 297.8396 -183536.2572 -149339.2806 298.4613 -39.9164 -9.1227 556326.0278 4.1273 4.1332 PRESSURE: 208800 -33.8477 -178.239 -6.50836 -178.239 -30.3595 -203.957 -6.50713 -203.956 -354.336 GPRESSURE: 208800 15.6735 -162.774 -48.5451 -192.311 -18.1725 -177.663 7.94231 -99.6647 -322.913 PRESSAVG: 208800 -7.54355 -18.5539 -36.963 -18.5539 41.7546 -19.7268 -36.9632 -19.7269 -44.8258 GPRESSAVG: 208800 -8.46047 -16.148 -37.2814 -19.5585 42.2116 -18.3104 -37.3697 -19.3627 -44.5275 TIMING: 208800 CPU: 617.344, 0.00295211/step Wall: 617.344, 0.00295211/step, 3.92893 hours remaining, 202.234375 MB of memory in use. ENERGY: 208800 725.2979 2070.2752 1951.3194 116.0592 -206135.2083 17665.3138 0.0000 0.0000 34092.1347 -149514.8081 297.7351 -183606.9428 -149420.9866 298.8385 -139.5144 -108.4706 558160.6478 -3.5382 -3.5921 PRESSURE: 209000 40.6139 109.493 -145.365 109.492 -31.8115 11.3292 -145.365 11.3285 -141.561 GPRESSURE: 209000 86.508 15.8555 -215.182 131.097 18.4047 -45.0678 -171.442 91.7867 -134.781 PRESSAVG: 209000 32.4818 -27.6902 -62.8612 -27.6902 -19.3151 -34.3696 -62.8611 -34.3696 -22.1553 GPRESSAVG: 209000 33.9078 -30.3196 -64.4493 -24.8974 -19.8717 -35.5141 -59.4813 -33.1277 -22.8307 TIMING: 209000 CPU: 617.933, 0.00294766/step Wall: 617.933, 0.00294766/step, 3.92285 hours remaining, 202.300781 MB of memory in use. ENERGY: 209000 789.4273 2116.3430 1971.1224 125.6183 -206461.5575 17901.7173 0.0000 0.0000 34187.7093 -149369.6199 298.5698 -183557.3291 -149274.3983 298.5315 -44.2530 -9.9560 557411.4871 -2.9962 -2.9315 PRESSURE: 209200 126.606 9.00361 -128.878 9.00364 -141.11 14.9951 -128.88 14.9957 172.139 GPRESSURE: 209200 137.831 78.4777 -166.073 -14.5382 -59.7137 27.2211 -89.0383 29.5828 183.527 PRESSAVG: 209200 59.2292 36.0435 46.473 36.0435 -64.3976 -16.5457 46.473 -16.5458 18.435 GPRESSAVG: 209200 58.1494 37.6978 49.407 31.2135 -63.9675 -14.8508 44.0069 -19.6547 19.5495 TIMING: 209200 CPU: 618.522, 0.00294133/step Wall: 618.522, 0.00294133/step, 3.91426 hours remaining, 202.300781 MB of memory in use. ENERGY: 209200 688.9200 2081.8707 1954.0681 104.8002 -206050.8657 17760.0783 0.0000 0.0000 34090.5932 -149370.5353 297.7216 -183461.1284 -149271.4125 298.3814 52.5451 87.2147 557826.8329 4.4222 4.5771 PRESSURE: 209400 -69.1839 197.513 123.699 197.512 -124.275 207.961 123.699 207.962 -77.8653 GPRESSURE: 209400 -17.0362 197.52 62.2933 110.983 -145.484 186.719 114.3 110.534 -22.4267 PRESSAVG: 209400 33.1135 10.7044 -23.8097 10.7044 4.98067 -17.5424 -23.8096 -17.5424 13.392 GPRESSAVG: 209400 32.6818 11.3323 -26.2171 12.8602 5.55268 -19.0259 -22.1324 -16.3748 13.7536 TIMING: 209400 CPU: 619.108, 0.00293038/step Wall: 619.108, 0.00293038/step, 3.89953 hours remaining, 202.300781 MB of memory in use. ENERGY: 209400 749.1957 2121.5255 1921.9172 119.0315 -206289.0486 17779.3316 0.0000 0.0000 34282.9906 -149315.0564 299.4019 -183598.0470 -149217.0106 298.3368 -90.4415 -61.6489 558635.7271 17.1621 17.3293 PRESSURE: 209600 -69.9543 7.47135 -18.1542 7.47175 24.0932 1.82128 -18.1547 1.82104 -254.535 GPRESSURE: 209600 -22.6943 -9.16871 -23.8179 98.6679 19.0624 15.2368 32.2385 24.771 -199.885 PRESSAVG: 209600 103.076 5.40738 40.5774 5.40749 -87.231 5.26374 40.5774 5.26377 -27.9583 GPRESSAVG: 209600 103.104 6.78236 41.7036 4.58726 -88.0166 3.86127 39.3337 6.92869 -27.309 TIMING: 209600 CPU: 619.695, 0.00293713/step Wall: 619.695, 0.00293713/step, 3.90833 hours remaining, 202.300781 MB of memory in use. ENERGY: 209600 757.1033 2124.4259 1953.8760 102.0809 -206160.2153 17779.0819 0.0000 0.0000 34126.4780 -149317.1693 298.0350 -183443.6473 -149218.2333 298.6980 -100.1321 -67.8391 558450.0632 -4.0379 -4.0740 PRESSURE: 209800 78.8932 -27.894 -32.3698 -27.8939 94.036 105.83 -32.3697 105.83 -74.6354 GPRESSURE: 209800 129.654 9.05636 -35.8453 -124.72 91.9627 54.3869 14.1978 22.8458 -30.9156 PRESSAVG: 209800 34.8963 -14.3621 -44.4952 -14.362 -16.4669 -3.18077 -44.4951 -3.18087 7.33885 GPRESSAVG: 209800 35.2964 -15.9369 -43.6498 -13.3488 -14.9265 -2.41972 -44.3224 -3.46704 5.99506 TIMING: 209800 CPU: 620.285, 0.00295092/step Wall: 620.285, 0.00295092/step, 3.92652 hours remaining, 202.300781 MB of memory in use. ENERGY: 209800 748.5463 2080.6751 1972.7286 116.2251 -205859.3973 17744.3652 0.0000 0.0000 33813.9179 -149382.9390 295.3054 -183196.8569 -149286.3501 299.0062 32.7646 63.5670 557946.4967 8.5894 8.7883 PRESSURE: 210000 -19.0857 -234.235 98.6754 -234.235 -127.327 -46.7711 98.6744 -46.7716 -131.919 GPRESSURE: 210000 -16.2933 -247.089 102.503 -118.299 -41.9034 -24.9156 198.855 -40.3371 -126.456 PRESSAVG: 210000 -47.0256 -51.9262 -46.4486 -51.9261 4.49734 -5.79671 -46.4486 -5.79677 28.3899 GPRESSAVG: 210000 -47.3189 -52.8301 -47.6719 -50.6048 4.17879 -5.94185 -44.7586 -6.51095 29.7008 TIMING: 210000 CPU: 620.875, 0.00294947/step Wall: 620.875, 0.00294947/step, 3.92443 hours remaining, 202.300781 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: 210000 726.2686 2064.5946 1950.0619 109.1148 -205936.1913 17608.3858 0.0000 0.0000 34120.2864 -149357.4793 297.9809 -183477.7657 -149264.5774 299.3047 -92.7772 -61.5510 556985.8979 -4.7128 -4.4798 PRESSURE: 210200 330.132 -123.584 123.862 -123.583 212.195 39.5931 123.863 39.5953 -120.506 GPRESSURE: 210200 391.677 -78.5429 115.798 -72.1643 216.755 103.486 191.219 -32.658 -89.1086 PRESSAVG: 210200 46.3666 4.82796 17.2372 4.82795 -85.7603 -15.5156 17.2372 -15.5156 5.22957 GPRESSAVG: 210200 46.5359 4.47347 19.551 4.47479 -85.229 -13.3191 15.627 -15.6617 4.86773 TIMING: 210200 CPU: 621.472, 0.00298554/step Wall: 621.472, 0.00298554/step, 3.97227 hours remaining, 202.300781 MB of memory in use. ENERGY: 210200 743.0998 2093.3193 1969.5765 129.7137 -206404.6730 18033.8394 0.0000 0.0000 34032.4774 -149402.6468 297.2141 -183435.1242 -149309.7207 298.5573 140.6069 173.1079 556923.2447 -11.3880 -11.2751 PRESSURE: 210400 -120.476 -39.1384 167.405 -39.1379 -81.1121 -2.48598 167.405 -2.48658 -221.214 GPRESSURE: 210400 -73.2524 -84.8378 181.139 -17.6437 -5.62694 -14.8517 145.842 -12.7524 -258.99 PRESSAVG: 210400 2.29865 -25.8002 93.8518 -25.8001 8.36743 -6.29171 93.8518 -6.29169 -14.7804 GPRESSAVG: 210400 2.13037 -25.8071 93.727 -24.8276 7.95385 -7.9168 93.2209 -6.94479 -14.344 TIMING: 210400 CPU: 622.073, 0.00300355/step Wall: 622.073, 0.00300355/step, 3.99606 hours remaining, 202.500000 MB of memory in use. ENERGY: 210400 774.9154 2029.1657 1951.6385 118.3087 -205965.3976 17578.5075 0.0000 0.0000 34201.1732 -149311.6886 298.6874 -183512.8618 -149211.9586 298.0529 -140.9339 -112.6230 558196.1345 -1.3714 -1.4199 PRESSURE: 210600 64.6425 192.816 -36.7323 192.816 214.415 -165.075 -36.7316 -165.076 131.68 GPRESSURE: 210600 108.257 188.629 -138.763 129.21 219.471 -168.172 -4.79784 -196.449 180.953 PRESSAVG: 210600 9.79486 50.6902 54.113 50.6902 -37.3138 15.3453 54.113 15.3455 29.8031 GPRESSAVG: 210600 9.26812 53.1599 50.3173 49.0525 -37.1603 15.554 55.5633 15.5642 30.668 TIMING: 210600 CPU: 622.666, 0.00296654/step Wall: 622.666, 0.00296654/step, 3.94665 hours remaining, 202.500000 MB of memory in use. ENERGY: 210600 788.8404 2123.4461 1961.9903 111.5734 -206613.5832 18136.2552 0.0000 0.0000 34276.1876 -149215.2902 299.3425 -183491.4777 -149121.0111 298.9781 136.9126 169.5604 557441.7043 0.7614 0.9253 PRESSURE: 210800 -151.899 7.14209 47.707 7.1416 -285.894 -91.2421 47.7072 -91.2423 -212.249 GPRESSURE: 210800 -147.176 70.1795 40.424 -18.8408 -243.508 -61.9619 1.30652 -63.2669 -158.317 PRESSAVG: 210800 -27.7701 -42.0319 54.5557 -42.0319 17.1736 12.3638 54.5557 12.3638 -20.0625 GPRESSAVG: 210800 -27.4958 -42.4977 54.8495 -43.0598 17.4246 11.2958 54.2907 11.7299 -20.5489 TIMING: 210800 CPU: 623.258, 0.00295877/step Wall: 623.258, 0.00295877/step, 3.93616 hours remaining, 202.500000 MB of memory in use. ENERGY: 210800 730.9873 2083.1447 1938.5831 119.0674 -205898.8902 17575.1774 0.0000 0.0000 34126.2624 -149325.6678 298.0331 -183451.9302 -149228.4314 298.4312 -216.6803 -183.0003 558858.9302 -10.2197 -10.2067 PRESSURE: 211000 -42.7612 44.8498 -205.635 44.8506 107.4 134.276 -205.634 134.277 167.252 GPRESSURE: 211000 -56.8882 108.825 -217.612 -13.6177 192.691 176.798 -207.254 90.0055 195.29 PRESSAVG: 211000 -61.7916 -3.08388 -5.05865 -3.08391 40.9808 -14.8588 -5.05872 -14.8589 59.9318 GPRESSAVG: 211000 -60.5257 -2.58436 -2.90424 -3.50993 40.3558 -14.6196 -7.10897 -12.0129 59.4629 TIMING: 211000 CPU: 623.848, 0.00294885/step Wall: 623.848, 0.00294885/step, 3.92279 hours remaining, 202.500000 MB of memory in use. ENERGY: 211000 733.4461 2047.3215 1962.1095 107.8257 -206343.6007 18103.8412 0.0000 0.0000 34019.4225 -149369.6342 297.1001 -183389.0567 -149273.8257 298.9140 77.2968 110.3643 558009.4191 13.0404 13.0977 PRESSURE: 211200 -130.713 6.52947 -188.057 6.53181 139.849 -13.1835 -188.055 -13.1817 190.146 GPRESSURE: 211200 -147.889 -37.6329 -152.756 37.9955 239.892 19.5385 -122.534 -2.37943 206.383 PRESSAVG: 211200 -95.1979 -18.0869 -21.9469 -18.0869 -5.78247 12.4005 -21.9469 12.4004 89.1656 GPRESSAVG: 211200 -95.3895 -20.3272 -23.4767 -16.7146 -6.25355 11.1987 -21.1455 11.3897 89.6753 TIMING: 211200 CPU: 624.437, 0.00294616/step Wall: 624.437, 0.00294616/step, 3.91905 hours remaining, 202.500000 MB of memory in use. ENERGY: 211200 760.4413 2119.6605 1975.3033 98.2786 -206350.7179 17953.8552 0.0000 0.0000 34211.7062 -149231.4728 298.7793 -183443.1791 -149136.7356 299.3018 66.4274 99.4621 557412.3656 -3.9383 -3.9892 PRESSURE: 211400 -148.929 -144.411 -12.243 -144.409 -272.714 43.2163 -12.2427 43.2166 -63.1274 GPRESSURE: 211400 -107.93 -59.2601 -40.1036 -151.447 -219.381 14.4203 -9.53337 119.579 -68.4465 PRESSAVG: 211400 39.1904 -45.7679 -17.9323 -45.7678 -10.9428 50.3561 -17.9324 50.3561 -1.10809 GPRESSAVG: 211400 37.9564 -44.9182 -18.1011 -45.2391 -9.83693 50.6042 -17.8426 50.8085 -1.58556 TIMING: 211400 CPU: 625.03, 0.00296409/step Wall: 625.03, 0.00296409/step, 3.94273 hours remaining, 202.500000 MB of memory in use. ENERGY: 211400 775.3623 2098.4506 1953.8775 115.8326 -205923.6087 17614.3496 0.0000 0.0000 33893.2247 -149472.5114 295.9980 -183365.7361 -149379.9346 298.6343 -161.5903 -131.9192 558361.3153 9.0465 8.8446 PRESSURE: 211600 231.438 56.2926 138.934 56.2935 38.2226 110.504 138.935 110.503 3.21282 GPRESSURE: 211600 276.392 87.5216 131.477 -72.33 103.038 99.7323 70.3099 45.2379 -1.59196 PRESSAVG: 211600 -56.4609 21.0613 11.3476 21.0614 9.15709 7.77443 11.3476 7.77447 64.5664 GPRESSAVG: 211600 -55.2758 21.8569 9.3733 21.112 7.45865 7.70656 12.8085 6.42018 65.2158 TIMING: 211600 CPU: 625.618, 0.00294262/step Wall: 625.618, 0.00294262/step, 3.91401 hours remaining, 202.500000 MB of memory in use. ENERGY: 211600 721.9955 2049.5895 1963.9567 110.1633 -206887.6791 18249.1067 0.0000 0.0000 34222.5900 -149570.2774 298.8744 -183792.8674 -149465.9488 297.9811 90.9578 125.9461 558052.6442 5.7542 5.7996 PRESSURE: 211800 -18.7077 36.1217 107.362 36.1221 185.496 -65.0376 107.363 -65.0381 47.413 GPRESSURE: 211800 25.6755 -35.3578 137.416 53.1981 205.087 -66.8513 48.7231 -42.7593 82.1737 PRESSAVG: 211800 -48.0318 11.0038 29.7375 11.0038 -5.90876 5.33279 29.7375 5.33278 68.5233 GPRESSAVG: 211800 -48.4343 10.8028 30.2472 9.51673 -5.98926 4.53162 28.7509 5.74213 68.5463 TIMING: 211800 CPU: 626.211, 0.00296338/step Wall: 626.211, 0.00296338/step, 3.94147 hours remaining, 202.500000 MB of memory in use. ENERGY: 211800 752.3198 2082.0864 1960.3816 113.7119 -206767.7584 18070.6774 0.0000 0.0000 34267.2623 -149521.3189 299.2645 -183788.5812 -149418.3520 298.4786 71.4005 104.3120 557630.9614 4.8609 4.7076 PRESSURE: 212000 -24.95 -16.4611 -61.3718 -16.4617 -8.47786 -138.282 -61.3732 -138.282 228.708 GPRESSURE: 212000 29.4754 -2.54153 -122.599 22.3603 24.7294 -74.3288 -52.4266 -159.279 223.207 PRESSAVG: 212000 24.1876 -34.4333 -54.4211 -34.4333 -44.0879 -0.0373394 -54.4211 -0.0374324 56.4013 GPRESSAVG: 212000 24.3952 -35.5114 -53.6289 -33.448 -43.6211 4.63305 -54.7524 -2.17041 55.8114 TIMING: 212000 CPU: 626.803, 0.00295779/step Wall: 626.803, 0.00295779/step, 3.93386 hours remaining, 202.500000 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: 212000 711.7625 2094.2855 1967.0383 122.2864 -206758.5532 18024.1171 0.0000 0.0000 34300.4073 -149538.6562 299.5540 -183839.0634 -149442.9562 298.1723 65.0933 92.4705 557584.8968 12.1670 12.1952 PRESSURE: 212200 -23.1187 -29.1043 -7.13609 -29.1045 -138.031 109.23 -7.13565 109.229 -262.725 GPRESSURE: 212200 23.0493 -57.8187 -0.0655135 -19.4796 -148.26 -28.3954 -85.2112 75.85 -196.536 PRESSAVG: 212200 23.4491 27.3489 12.3716 27.3489 -25.3644 -22.4501 12.3716 -22.45 -4.94173 GPRESSAVG: 212200 22.9269 27.7157 12.6864 26.8609 -25.1586 -27.4179 10.6941 -19.5209 -4.48285 TIMING: 212200 CPU: 627.395, 0.00296198/step Wall: 627.395, 0.00296198/step, 3.93926 hours remaining, 202.500000 MB of memory in use. ENERGY: 212200 737.6782 2095.1596 1955.6937 114.4739 -206318.7797 17666.3481 0.0000 0.0000 33985.5345 -149763.8916 296.8041 -183749.4262 -149663.0804 298.2305 -141.2915 -107.2490 559028.2019 -2.2857 -2.2382 LDB: ============= START OF LOAD BALANCING ============== 630.82 LDB: ============== END OF LOAD BALANCING =============== 630.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 630.821 LDB: ============= START OF LOAD BALANCING ============== 631.12 LDB: Largest compute 4848 load 0.029421 is 25.0% of average load 0.117758 LDB: Average compute 0.001740 is 1.5% of average load 0.117758 LDB: TIME 631.122 LOAD: AVG 0.117758 MAX 0.199855 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.582 MB LDB: TIME 631.122 LOAD: AVG 0.117758 MAX 0.199855 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.781 MB LDB: TIME 631.123 LOAD: AVG 0.117758 MAX 0.199855 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.781 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 631.124 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 631.128 PRESSURE: 212400 204.324 -123.807 18.6606 -123.807 -8.37974 45.8144 18.6597 45.814 38.7185 GPRESSURE: 212400 218.437 -25.7196 47.9414 -130.556 96.9398 74.2556 62.2163 41.8537 33.2266 PRESSAVG: 212400 78.4856 -33.1193 -30.5477 -33.1193 -51.2418 23.0726 -30.5477 23.0727 7.63603 GPRESSAVG: 212400 78.6966 -33.7026 -32.497 -31.274 -51.9758 22.6522 -25.7625 23.4608 9.01729 TIMING: 212400 CPU: 627.999, 0.00301967/step Wall: 627.999, 0.00301967/step, 4.01582 hours remaining, 204.628906 MB of memory in use. ENERGY: 212400 709.8365 2091.4209 1957.1732 112.0450 -206384.8171 17924.4535 0.0000 0.0000 34154.4641 -149435.4238 298.2794 -183589.8879 -149346.6221 298.4786 78.2211 116.2012 556518.9962 11.6266 11.9127 PRESSURE: 212600 -97.7385 75.8726 -89.6363 75.8705 -141.914 56.1544 -89.6361 56.1536 57.9576 GPRESSURE: 212600 -54.3745 187.275 -162.388 -1.27661 -80.2851 52.068 -35.3225 53.7276 58.4091 PRESSAVG: 212600 34.8309 19.4201 7.20879 19.4201 2.93043 -11.3001 7.20882 -11.3001 -3.34435 GPRESSAVG: 212600 34.5469 22.3624 8.86583 17.717 4.3742 -10.9341 3.9007 -10.3505 -4.17054 TIMING: 212600 CPU: 628.588, 0.00294348/step Wall: 628.588, 0.00294348/step, 3.91433 hours remaining, 204.628906 MB of memory in use. ENERGY: 212600 719.2770 2074.9454 1977.9135 109.7575 -206315.5790 17738.6919 0.0000 0.0000 34292.4265 -149402.5671 299.4843 -183694.9937 -149314.7865 298.7347 -60.5649 -25.4168 556434.1718 11.4723 11.5835 PRESSURE: 212800 -245.906 25.0706 -28.2832 25.0708 -313.141 24.6168 -28.2825 24.6156 -225.323 GPRESSURE: 212800 -200.732 85.3666 -138.175 -13.9932 -291.13 117.196 111.306 26.0015 -191.689 PRESSAVG: 212800 34.2032 13.8145 -35.3401 13.8145 20.773 -37.1114 -35.34 -37.1114 -31.5459 GPRESSAVG: 212800 35.0151 12.2674 -35.0551 13.9146 19.8615 -35.5104 -35.6207 -37.5111 -30.9513 TIMING: 212800 CPU: 629.179, 0.00295521/step Wall: 629.179, 0.00295521/step, 3.92978 hours remaining, 204.628906 MB of memory in use. ENERGY: 212800 750.6996 2088.8807 1971.3702 116.3900 -205945.9041 17438.6748 0.0000 0.0000 34011.0161 -149568.8727 297.0267 -183579.8887 -149472.4521 298.7231 -261.4567 -227.8507 557682.5391 7.8101 7.9751 PRESSURE: 213000 -201.97 20.8477 35.9344 20.8477 -135.645 33.1329 35.9344 33.1327 -32.1088 GPRESSURE: 213000 -180.195 56.5784 58.2804 -72.3126 -105.747 57.9217 -0.446924 13.8185 13.8599 PRESSAVG: 213000 47.1319 29.4296 -16.2694 29.4295 18.9288 35.9355 -16.2694 35.9356 -11.3097 GPRESSAVG: 213000 46.795 29.728 -16.7859 29.2224 19.7446 34.3138 -17.3281 33.8276 -11.7436 TIMING: 213000 CPU: 629.772, 0.00296464/step Wall: 629.772, 0.00296464/step, 3.94214 hours remaining, 204.628906 MB of memory in use. ENERGY: 213000 759.8567 2103.5584 1938.8631 107.7746 -206225.7610 17665.0832 0.0000 0.0000 34143.1560 -149507.4689 298.1807 -183650.6249 -149412.9503 298.1726 -123.2413 -90.6940 556107.1816 18.2503 18.2653 PRESSURE: 213200 -219.636 94.0236 36.8704 94.0246 122.755 -158.928 36.871 -158.925 -247.815 GPRESSURE: 213200 -166.142 143.58 -44.8552 46.0663 131.974 -176.282 15.4455 -202.876 -225.143 PRESSAVG: 213200 20.1183 56.7279 43.5107 56.728 6.82613 2.56466 43.5107 2.56471 10.3928 GPRESSAVG: 213200 20.9585 56.2811 42.7068 56.2922 6.36472 1.98423 45.7874 3.72359 10.5454 TIMING: 213200 CPU: 630.365, 0.00296733/step Wall: 630.365, 0.00296733/step, 3.94557 hours remaining, 204.628906 MB of memory in use. ENERGY: 213200 777.4123 2126.5602 1942.7287 111.1139 -206539.1357 17682.7113 0.0000 0.0000 34325.9672 -149572.6420 299.7772 -183898.6092 -149474.2579 298.4425 -114.8986 -86.4371 558120.8154 12.4457 12.6229 PRESSURE: 213400 67.162 -77.6163 -120.802 -77.6161 -39.4776 0.496333 -120.803 0.495757 -0.350881 GPRESSURE: 213400 118.845 -41.046 -134.275 -117.374 -27.9606 53.8452 -64.0296 43.9135 47.4131 PRESSAVG: 213400 42.8141 48.054 -17.7963 48.054 26.5622 -39.4587 -17.7962 -39.4587 -34.7435 GPRESSAVG: 213400 41.6752 49.577 -17.9724 47.6059 27.6722 -38.4402 -17.3232 -38.6221 -35.3324 TIMING: 213400 CPU: 630.96, 0.0029756/step Wall: 630.96, 0.0029756/step, 3.95639 hours remaining, 204.628906 MB of memory in use. ENERGY: 213400 701.6843 2061.3685 1941.4275 115.4965 -206297.3999 17898.1388 0.0000 0.0000 34083.4942 -149495.7900 297.6596 -183579.2842 -149402.9192 298.9023 9.1112 46.0991 556393.8371 11.5442 11.3383 PRESSURE: 213600 -89.3575 -10.0254 32.1916 -10.0252 -138.289 92.9467 32.1921 92.9477 -262.089 GPRESSURE: 213600 -82.7646 -31.5528 54.0965 -57.5512 -42.1949 157.306 -48.6829 47.2019 -263.839 PRESSAVG: 213600 -7.40592 13.9048 -20.2005 13.9048 -1.92323 0.166256 -20.2005 0.166112 10.4617 GPRESSAVG: 213600 -7.34993 12.1207 -21.8016 15.4508 -2.86632 0.472903 -19.9233 -0.699154 10.7158 TIMING: 213600 CPU: 631.552, 0.00296105/step Wall: 631.552, 0.00296105/step, 3.93688 hours remaining, 204.628906 MB of memory in use. ENERGY: 213600 764.3239 2102.0354 1949.3597 117.3009 -206088.7139 17581.4292 0.0000 0.0000 33990.2745 -149583.9904 296.8455 -183574.2649 -149493.4261 297.9896 -163.2453 -129.5995 556782.8694 0.3775 0.1665 PRESSURE: 213800 -65.7961 -30.4237 -146.482 -30.424 196.838 -147.093 -146.481 -147.093 390.987 GPRESSURE: 213800 -21.7347 8.50337 -83.7675 -26.6009 208.19 -190.783 -185.742 -162.96 422.772 PRESSAVG: 213800 -74.9611 -43.8887 -0.050134 -43.8887 37.951 -22.3839 -0.0500976 -22.3839 36.4364 GPRESSAVG: 213800 -75.4847 -42.3906 1.5254 -44.0069 37.2185 -22.957 -1.71648 -22.5587 37.2566 TIMING: 213800 CPU: 632.143, 0.00295176/step Wall: 632.143, 0.00295176/step, 3.92437 hours remaining, 204.628906 MB of memory in use. ENERGY: 213800 740.3559 2129.3664 1977.0516 107.5665 -206123.2705 17745.3787 0.0000 0.0000 34177.0129 -149246.5386 298.4764 -183423.5515 -149151.6495 298.4006 174.0098 203.0756 557221.3510 -0.1912 -0.3365 PRESSURE: 214000 159.351 14.2128 21.3191 14.2132 64.5858 -175.401 21.3183 -175.403 -90.2552 GPRESSURE: 214000 199.885 100.257 3.25854 1.24073 82.2733 -165.806 12.7906 -145.584 -44.614 PRESSAVG: 214000 -14.079 -13.1721 -15.5266 -13.1721 62.0474 -66.476 -15.5267 -66.476 22.7613 GPRESSAVG: 214000 -12.851 -13.9993 -13.0146 -13.6418 61.7989 -65.8388 -16.5498 -66.3802 21.9754 TIMING: 214000 CPU: 632.733, 0.00294873/step Wall: 632.733, 0.00294873/step, 3.92017 hours remaining, 204.628906 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: 214000 765.7732 2099.7073 1983.2192 128.5846 -206630.2127 18135.5100 0.0000 0.0000 34414.0668 -149103.3517 300.5466 -183517.4184 -149006.3221 299.7665 44.5605 79.1816 556581.2416 23.5765 23.6411 PRESSURE: 214200 -236.192 -41.7825 -34.9054 -41.783 -172.199 88.6381 -34.9076 88.636 -339.373 GPRESSURE: 214200 -201.962 -74.908 -56.3243 -43.585 -143.377 169.983 -36.2975 67.4096 -305.777 PRESSAVG: 214200 18.7076 11.1316 -7.13755 11.1316 8.94016 -55.4675 -7.13759 -55.4675 -22.727 GPRESSAVG: 214200 18.3107 10.2136 -8.80988 11.8453 9.57856 -54.2363 -6.27632 -57.0167 -22.5472 TIMING: 214200 CPU: 633.322, 0.0029491/step Wall: 633.322, 0.0029491/step, 3.92051 hours remaining, 204.628906 MB of memory in use. ENERGY: 214200 771.5881 2149.8815 1959.3117 106.8164 -205734.5815 17368.1213 0.0000 0.0000 34327.3692 -149051.4934 299.7895 -183378.8626 -148949.4114 299.2508 -249.2545 -217.0388 559424.9879 1.6402 1.7807 PRESSURE: 214400 33.9255 48.8591 70.6087 48.8595 164 -178.583 70.6085 -178.582 54.6505 GPRESSURE: 214400 66.7382 6.11964 42.2205 77.5121 205.384 -166.596 44.4091 -132.157 79.8429 PRESSAVG: 214400 -59.1038 22.8451 3.11261 22.845 -6.01988 -71.7648 3.11271 -71.7647 70.9917 GPRESSAVG: 214400 -59.1339 22.115 2.61921 23.4078 -5.57981 -73.8489 3.96548 -68.9534 70.309 TIMING: 214400 CPU: 633.914, 0.00295955/step Wall: 633.914, 0.00295955/step, 3.93422 hours remaining, 204.628906 MB of memory in use. ENERGY: 214400 713.2038 2103.2113 1968.9929 107.7940 -206355.3561 17966.7938 0.0000 0.0000 34274.7704 -149220.5899 299.3301 -183495.3603 -149124.4458 299.0158 84.1919 117.3216 558981.6555 1.9560 1.8651 PRESSURE: 214600 278.582 164.796 -10.3585 164.797 -166.351 55.7699 -10.3588 55.7699 -64.8583 GPRESSURE: 214600 292.591 198.675 -31.3184 168.505 -125.417 37.0552 -34.1832 84.1714 -15.1195 PRESSAVG: 214600 -18.3089 7.15996 24.5218 7.15993 45.016 -41.977 24.5218 -41.9768 -29.689 GPRESSAVG: 214600 -18.3511 7.53986 25.7944 6.62041 44.6328 -40.1649 22.0492 -42.735 -28.8844 TIMING: 214600 CPU: 634.506, 0.0029565/step Wall: 634.506, 0.0029565/step, 3.93002 hours remaining, 204.628906 MB of memory in use. ENERGY: 214600 744.6570 2111.0262 1958.0914 106.6394 -206350.5246 17956.8595 0.0000 0.0000 34302.5305 -149170.7207 299.5725 -183473.2512 -149070.4435 298.8188 15.7908 50.6848 557775.2630 -0.9940 -0.8676 PRESSURE: 214800 81.287 -78.7549 157.904 -78.7556 219.949 123.827 157.904 123.829 144.51 GPRESSURE: 214800 65.6771 -122.38 90.7895 -73.2577 287.274 124.998 172.024 109.548 201.911 PRESSAVG: 214800 24.7622 7.29271 30.8821 7.29271 -30.1591 30.5792 30.8821 30.5792 32.8431 GPRESSAVG: 214800 25.5094 8.66848 32.2981 6.17147 -29.6526 30.2448 30.4881 30.504 32.3194 TIMING: 214800 CPU: 635.098, 0.00296088/step Wall: 635.098, 0.00296088/step, 3.93566 hours remaining, 204.746094 MB of memory in use. ENERGY: 214800 767.0605 2091.8442 1963.4346 115.4790 -206575.1769 18042.0565 0.0000 0.0000 34579.8615 -149015.4407 301.9945 -183595.3022 -148914.3372 299.5152 148.5819 184.9541 557627.1027 9.1487 9.3920 PRESSURE: 215000 0.129724 3.61767 -143.487 3.6177 -36.2338 -94.2524 -143.487 -94.2519 77.6663 GPRESSURE: 215000 76.1299 115.866 -138.911 7.45658 -26.0137 -63.8958 -124.326 -68.1044 88.6486 PRESSAVG: 215000 16.7772 56.278 -39.7751 56.278 -27.7658 25.5696 -39.7751 25.5696 45.7805 GPRESSAVG: 215000 16.5974 55.7863 -42.0474 58.6815 -27.7983 26.0599 -35.9019 24.9789 45.723 TIMING: 215000 CPU: 635.692, 0.00297054/step Wall: 635.692, 0.00297054/step, 3.94834 hours remaining, 204.746094 MB of memory in use. ENERGY: 215000 759.8817 2131.3048 1964.8430 113.1606 -205769.2598 17781.5576 0.0000 0.0000 33997.8049 -149020.7072 296.9113 -183018.5122 -148920.2413 299.8442 13.8541 46.2549 560009.6316 11.5973 11.5074 PRESSURE: 215200 -346.033 -34.8338 1.11845 -34.8349 268.33 -48.2011 1.11938 -48.2014 -144.169 GPRESSURE: 215200 -291.192 -86.9053 25.6778 57.1845 264.376 -7.89639 -60.7307 -86.749 -99.9948 PRESSAVG: 215200 -15.3581 4.1745 -14.8305 4.17442 16.7722 39.0249 -14.8305 39.0248 31.6577 GPRESSAVG: 215200 -14.6077 5.01624 -14.919 4.48145 17.9011 37.2545 -15.663 40.0977 29.1346 TIMING: 215200 CPU: 636.284, 0.00295984/step Wall: 636.284, 0.00295984/step, 3.93396 hours remaining, 204.746094 MB of memory in use. ENERGY: 215200 753.2117 2116.2047 1939.9578 112.9450 -205974.2436 17584.1825 0.0000 0.0000 34535.0081 -148932.7338 301.6028 -183467.7419 -148830.7322 299.4395 -73.9575 -42.2704 557877.7988 11.0239 10.8093 PRESSURE: 215400 -230.381 74.6802 -29.2198 74.6798 -204.263 76.2566 -29.2206 76.2555 10.2358 GPRESSURE: 215400 -232.877 104.367 31.8519 -17.3198 -110.668 -28.5607 -75.7388 89.9252 12.1472 PRESSAVG: 215400 34.5728 22.0417 28.327 22.0417 -90.0064 24.1202 28.327 24.1202 64.0749 GPRESSAVG: 215400 32.6039 21.2153 30.9452 19.0317 -89.6946 26.0215 26.3623 21.514 64.9347 TIMING: 215400 CPU: 636.873, 0.00294638/step Wall: 636.873, 0.00294638/step, 3.91591 hours remaining, 204.746094 MB of memory in use. ENERGY: 215400 735.5591 2127.9698 1981.3873 120.2062 -206097.3738 17741.2043 0.0000 0.0000 34265.1843 -149125.8628 299.2464 -183391.0471 -149026.7127 300.1738 -141.4694 -110.4659 558218.2095 2.8804 2.6146 PRESSURE: 215600 43.8365 10.9632 35.6547 10.9623 313.025 -42.3034 35.6555 -42.3045 185.622 GPRESSURE: 215600 25.472 -1.13358 -21.0206 50.5652 362.785 15.85 14.3597 -46.1856 258.692 PRESSAVG: 215600 19.1317 39.3481 22.2111 39.3482 -49.1595 13.0108 22.2111 13.0108 36.2743 GPRESSAVG: 215600 18.5364 41.718 22.3777 40.2874 -49.1773 12.0349 23.0734 14.4534 37.8445 TIMING: 215600 CPU: 637.462, 0.00294264/step Wall: 637.462, 0.00294265/step, 3.91078 hours remaining, 204.746094 MB of memory in use. ENERGY: 215600 739.4908 2145.9254 1936.6833 97.4494 -206433.4047 18122.9498 0.0000 0.0000 34308.5941 -149082.3119 299.6255 -183390.9060 -148982.4040 299.9682 180.8277 215.6499 557251.7286 2.0822 2.4012 PRESSURE: 215800 -92.4398 114.782 -67.6993 114.783 -188.349 -3.27825 -67.698 -3.28045 -156.982 GPRESSURE: 215800 -88.5164 183.397 -55.2101 67.1195 -195.631 -30.5553 -153.453 -43.9267 -59.4533 PRESSAVG: 215800 33.0083 8.10627 8.04958 8.1062 54.6476 -64.4717 8.04955 -64.4718 -91.7666 GPRESSAVG: 215800 33.5066 6.96948 8.21574 7.35624 53.2502 -63.5517 7.37145 -63.5865 -91.1785 TIMING: 215800 CPU: 638.047, 0.00292644/step Wall: 638.047, 0.00292644/step, 3.88907 hours remaining, 204.746094 MB of memory in use. ENERGY: 215800 743.6240 2132.9415 1958.6352 119.4019 -206059.3858 17665.0967 0.0000 0.0000 34366.3874 -149073.2992 300.1302 -183439.6866 -148984.3414 299.6687 -145.9237 -114.5335 557803.0891 -1.3702 -1.4739 PRESSURE: 216000 75.6646 29.6 144.205 29.6006 234.815 116.141 144.205 116.141 200.151 GPRESSURE: 216000 76.5154 -27.5194 206.151 96.1822 321.649 25.9016 136.525 167.518 196.203 PRESSAVG: 216000 8.24966 -3.41619 -15.3841 -3.41617 28.596 26.6792 -15.3842 26.6792 -8.43442 GPRESSAVG: 216000 8.19948 -3.65032 -17.3595 -4.04937 29.1614 27.161 -14.2848 25.1417 -8.70254 TIMING: 216000 CPU: 638.637, 0.00294866/step Wall: 638.637, 0.00294866/step, 3.91844 hours remaining, 204.746094 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: 216000 743.6648 2187.1317 1955.6739 114.0639 -206233.4038 17876.9698 0.0000 0.0000 34105.7567 -149250.1430 297.8541 -183355.8997 -149160.1035 299.4171 170.2102 198.1226 556247.9726 9.4704 9.5528 PRESSURE: 216200 -200.994 -140.441 62.3376 -140.442 -301.386 12.6543 62.3388 12.6552 18.231 GPRESSURE: 216200 -175.757 -72.4464 136.75 -166.576 -315.441 -8.99049 1.91532 101.377 102.972 PRESSAVG: 216200 26.2898 28.7671 3.55442 28.7671 14.3759 95.2559 3.55443 95.2559 19.4426 GPRESSAVG: 216200 26.6791 29.0439 4.909 28.9389 13.9684 93.1617 2.78349 98.0663 19.8049 TIMING: 216200 CPU: 639.228, 0.00295528/step Wall: 639.228, 0.00295528/step, 3.92707 hours remaining, 204.746094 MB of memory in use. ENERGY: 216200 728.7167 2148.5824 1976.0753 107.2394 -205938.7683 17429.0555 0.0000 0.0000 34556.6583 -148992.4408 301.7919 -183549.0990 -148883.2992 299.1559 -161.3829 -129.4090 556677.5063 20.0361 20.1508 LDB: ============= START OF LOAD BALANCING ============== 642.654 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 642.654 LDB: =============== DONE WITH MIGRATION ================ 642.655 LDB: ============= START OF LOAD BALANCING ============== 642.952 LDB: Largest compute 4848 load 0.031456 is 26.7% of average load 0.117749 LDB: Average compute 0.001735 is 1.5% of average load 0.117749 LDB: TIME 642.955 LOAD: AVG 0.117749 MAX 0.197058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.07 MB LDB: TIME 642.955 LOAD: AVG 0.117749 MAX 0.197058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.27 MB LDB: TIME 642.955 LOAD: AVG 0.117749 MAX 0.197058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 642.957 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 642.961 PRESSURE: 216400 36.2026 -218.734 -86.5053 -218.734 -40.3083 26.4767 -86.5042 26.4766 -218.244 GPRESSURE: 216400 19.5109 -140.485 -65.6427 -252.964 -11.6977 -37.2607 -79.4281 42.7583 -130.413 PRESSAVG: 216400 -4.67637 -64.6093 5.84461 -64.6093 27.9785 14.7591 5.84464 14.7592 3.11147 GPRESSAVG: 216400 -4.76056 -65.779 3.39169 -64.2789 28.5258 17.0953 5.58954 12.8488 2.60039 TIMING: 216400 CPU: 639.831, 0.00301777/step Wall: 639.831, 0.00301777/step, 4.00994 hours remaining, 202.812500 MB of memory in use. ENERGY: 216400 705.2503 2114.8053 1975.7628 114.2493 -205809.1171 17518.4830 0.0000 0.0000 34134.6573 -149245.9091 298.1065 -183380.5664 -149152.6219 299.6946 -74.1165 -40.8666 556507.5128 8.8045 8.7885 PRESSURE: 216600 -199.99 -17.4993 43.8474 -17.4989 -159.801 39.2924 43.848 39.292 -131.689 GPRESSURE: 216600 -211.471 6.04223 55.9573 -21.5936 -69.9801 66.2953 -16.625 132.16 -119.726 PRESSAVG: 216600 22.8641 -23.9277 -2.51461 -23.9277 -38.5588 -5.29741 -2.51459 -5.29727 -2.2456 GPRESSAVG: 216600 22.5799 -21.1856 -1.41818 -24.9113 -38.6756 -5.14376 -1.58241 -6.20157 -1.69133 TIMING: 216600 CPU: 640.423, 0.00296054/step Wall: 640.423, 0.00296054/step, 3.93373 hours remaining, 203.125000 MB of memory in use. ENERGY: 216600 777.5405 2119.9006 1947.2805 109.3313 -205868.9402 17573.8524 0.0000 0.0000 34178.2628 -149162.7722 298.4873 -183341.0350 -149078.6064 299.5494 -163.8267 -133.7260 557459.0501 -5.9801 -5.9290 PRESSURE: 216800 130.379 135.644 -154.242 135.645 12.7659 155.819 -154.242 155.818 14.9454 GPRESSURE: 216800 135.143 146.608 -133.349 137.405 6.64479 159.727 -127.04 158.672 115.808 PRESSAVG: 216800 -34.997 1.04594 10.074 1.04582 11.6236 43.4194 10.0739 43.4194 34.2303 GPRESSAVG: 216800 -34.3209 -0.64991 11.6879 3.02034 10.639 42.4746 8.93644 45.6545 34.3815 TIMING: 216800 CPU: 641.018, 0.0029728/step Wall: 641.018, 0.0029728/step, 3.94986 hours remaining, 203.125000 MB of memory in use. ENERGY: 216800 765.8228 2100.6556 1968.6442 119.0318 -206729.4476 18087.2995 0.0000 0.0000 34466.4418 -149221.5519 301.0040 -183687.9938 -149118.1605 299.8929 52.6967 85.8656 557150.5647 3.6190 3.5666 PRESSURE: 217000 -336.536 29.9441 9.40004 29.944 49.0015 -83.8283 9.40021 -83.8274 43.3434 GPRESSURE: 217000 -282.89 126.264 -80 0.254444 18.2118 -74.8691 -3.91639 89.73 111.423 PRESSAVG: 217000 5.37249 -31.0754 -38.124 -31.0753 -17.725 18.4838 -38.124 18.4838 33.2359 GPRESSAVG: 217000 6.72559 -31.2135 -39.1102 -32.0567 -18.0934 19.773 -37.8242 16.7739 32.0432 TIMING: 217000 CPU: 641.607, 0.00294641/step Wall: 641.607, 0.00294641/step, 3.91463 hours remaining, 203.125000 MB of memory in use. ENERGY: 217000 727.4476 2134.9431 1947.7549 103.5674 -206274.1328 17747.3085 0.0000 0.0000 34356.4431 -149256.6681 300.0434 -183613.1112 -149155.3444 300.0027 -81.3970 -51.0848 557159.8437 6.9611 6.8918 PRESSURE: 217200 93.617 15.6536 49.846 15.6537 220.629 -30.2773 49.8459 -30.2781 158.599 GPRESSURE: 217200 105.317 -30.2493 72.6726 -28.1101 273.204 -78.2589 33.4172 -114.208 183.828 PRESSAVG: 217200 38.9518 75.4131 -31.8799 75.4132 -27.8791 22.8632 -31.8799 22.8631 -16.5927 GPRESSAVG: 217200 37.4054 75.9093 -30.7478 74.6346 -27.0986 22.0722 -32.8283 21.894 -15.9174 TIMING: 217200 CPU: 642.195, 0.00293737/step Wall: 642.195, 0.00293737/step, 3.90246 hours remaining, 203.125000 MB of memory in use. ENERGY: 217200 712.2822 2086.7224 1936.9457 106.1015 -206564.4376 18087.3738 0.0000 0.0000 34191.2605 -149443.7515 298.6008 -183635.0120 -149347.5534 299.1223 157.6151 187.4495 557273.8390 -1.8400 -1.8702 PRESSURE: 217400 90.0964 -31.8632 -25.559 -31.8635 127.138 51.0547 -25.5586 51.0561 -177.761 GPRESSURE: 217400 153.291 -41.1333 -73.6736 -28.5931 130.124 55.9787 45.7882 34.299 -153.948 PRESSAVG: 217400 -38.8398 -72.2676 -43.7978 -72.2676 38.1672 31.0902 -43.7978 31.0902 -34.9586 GPRESSAVG: 217400 -38.0964 -72.3359 -44.6312 -70.8661 38.1693 29.9044 -42.6868 34.4597 -35.2793 TIMING: 217400 CPU: 642.784, 0.00294444/step Wall: 642.784, 0.00294444/step, 3.91169 hours remaining, 203.125000 MB of memory in use. ENERGY: 217400 744.6905 2075.8532 1963.4373 112.0152 -206253.0229 17964.7953 0.0000 0.0000 34083.9789 -149308.2524 297.6639 -183392.2313 -149208.8910 298.3559 13.1579 43.1558 556846.2665 -11.8771 -11.7355 PRESSURE: 217600 -104.077 20.4125 148.13 20.4118 71.5233 100.355 148.131 100.355 -114.008 GPRESSURE: 217600 -25.927 4.11157 137.022 110.438 85.2458 129.276 152.021 43.1356 -104.398 PRESSAVG: 217600 45.6774 27.0775 91.4612 27.0774 41.5906 3.75399 91.4612 3.75386 -38.0354 GPRESSAVG: 217600 45.2897 28.2175 92.1621 26.3573 41.5834 4.39752 89.6536 -0.117078 -37.59 TIMING: 217600 CPU: 643.373, 0.00294751/step Wall: 643.373, 0.00294751/step, 3.91561 hours remaining, 203.125000 MB of memory in use. ENERGY: 217600 748.6779 2137.0885 1993.1050 117.8837 -205952.3835 17686.8927 0.0000 0.0000 34148.6846 -149120.0511 298.2290 -183268.7357 -149030.8407 298.8498 -48.8539 -15.0265 558012.2655 16.4109 16.4277 PRESSURE: 217800 -45.5839 115.18 -23.5536 115.179 44.448 -67.4752 -23.553 -67.4745 103.312 GPRESSURE: 217800 8.18034 89.4316 24.0864 76.7139 34.3916 -153.526 -161.628 22.7896 151.094 PRESSAVG: 217800 -69.5987 -3.83422 21.3067 -3.8342 36.0562 15.3057 21.3067 15.3056 3.62861 GPRESSAVG: 217800 -70.6198 -5.20494 19.9635 -3.33144 36.6673 15.5858 22.5362 17.1751 4.22193 TIMING: 217800 CPU: 643.965, 0.00295952/step Wall: 643.965, 0.00295952/step, 3.93139 hours remaining, 203.125000 MB of memory in use. ENERGY: 217800 742.5804 2105.7148 1932.3355 120.9580 -205909.1046 17758.2109 0.0000 0.0000 34140.2231 -149109.0820 298.1551 -183249.3051 -149012.8189 299.8732 34.0588 64.5554 558252.3110 -9.9713 -9.9102 PRESSURE: 218000 -123.93 95.9261 -73.9273 95.926 -169.752 -112.126 -73.9279 -112.126 -148.134 GPRESSURE: 218000 -67.824 149.328 40.4307 -32.6438 -121.979 -12.5927 -71.2906 -187.026 -164.324 PRESSAVG: 218000 2.3512 -1.11516 16.105 -1.1152 17.4131 -11.7738 16.1051 -11.7739 -31.1162 GPRESSAVG: 218000 2.84921 -0.301469 16.0562 -2.20567 17.7568 -10.6628 17.3366 -11.0451 -32.0896 TIMING: 218000 CPU: 644.555, 0.00294911/step Wall: 644.555, 0.00294911/step, 3.9174 hours remaining, 203.125000 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: 218000 761.7830 2059.9721 1968.3616 114.7258 -205740.0236 17521.8209 0.0000 0.0000 34294.3189 -149019.0413 299.5008 -183313.3602 -148930.9515 298.7926 -147.2720 -118.0424 558290.8054 -3.7840 -3.8279 PRESSURE: 218200 -255.957 58.8824 -18.9544 58.8837 -155.986 -23.5855 -18.9545 -23.5869 -176.848 GPRESSURE: 218200 -148.643 -4.12833 44.8445 95.7788 -136.952 53.5214 6.91604 -69.3525 -193.944 PRESSAVG: 218200 21.681 41.6169 -12.0796 41.6169 8.45157 28.5646 -12.0797 28.5647 -9.92073 GPRESSAVG: 218200 22.4039 41.5804 -11.8734 41.3863 8.09062 27.5964 -14.4823 28.2546 -9.88389 TIMING: 218200 CPU: 645.145, 0.00295321/step Wall: 645.145, 0.00295321/step, 3.92268 hours remaining, 203.125000 MB of memory in use. ENERGY: 218200 760.5280 2088.1657 1970.1757 115.8971 -205735.1403 17552.8694 0.0000 0.0000 34135.5831 -149111.9213 298.1145 -183247.5044 -149021.0964 298.5510 -196.2636 -159.8462 558447.7054 6.7373 6.8702 PRESSURE: 218400 -125.922 -81.8431 -16.2357 -81.8436 -103.716 138.948 -16.236 138.948 -180.146 GPRESSURE: 218400 -50.8392 -87.9421 -49.9099 -38.3784 -91.5688 184.817 -86.0102 110.502 -169.724 PRESSAVG: 218400 40.8551 56.2568 -31.3886 56.2568 -74.045 4.31429 -31.3886 4.31438 -58.3956 GPRESSAVG: 218400 39.6766 56.801 -31.4615 55.9909 -73.7071 3.91124 -32.2282 4.93981 -58.1289 TIMING: 218400 CPU: 645.73, 0.00292496/step Wall: 645.73, 0.00292496/step, 3.885 hours remaining, 203.125000 MB of memory in use. ENERGY: 218400 748.9765 2066.4559 1947.4599 107.9660 -205904.3972 17516.8568 0.0000 0.0000 34222.0649 -149294.6170 298.8698 -183516.6820 -149198.1230 299.1094 -136.5948 -104.0440 557292.9381 -30.5285 -30.7198 PRESSURE: 218600 -391.264 -94.4321 -158.108 -94.4328 35.4836 170.625 -158.108 170.626 86.9404 GPRESSURE: 218600 -301.266 -80.2569 -58.2755 -116.149 56.8266 230.907 -198.415 147.449 74.695 PRESSAVG: 218600 13.344 21.7945 -67.3368 21.7944 -18.1102 24.7166 -67.3369 24.7165 47.7465 GPRESSAVG: 218600 13.8757 20.1681 -65.6878 22.0806 -17.8209 24.6548 -65.2562 21.8692 47.0253 TIMING: 218600 CPU: 646.321, 0.00295175/step Wall: 646.321, 0.00295175/step, 3.92041 hours remaining, 203.175781 MB of memory in use. ENERGY: 218600 761.9107 2073.9579 1933.9304 119.8014 -205945.5673 17579.8146 0.0000 0.0000 34377.7151 -149098.4373 300.2291 -183476.1524 -149002.6727 299.2688 -89.6133 -56.5814 557863.6573 14.3267 14.3600 PRESSURE: 218800 -201.171 94.3265 -27.9764 94.3269 -212.086 -136.349 -27.9755 -136.349 -134.015 GPRESSURE: 218800 -185.233 108.014 -32.7684 52.27 -148.605 -195.299 -13.5929 -67.4644 -112.817 PRESSAVG: 218800 49.6649 -13.6211 -6.92614 -13.6211 -44.4479 33.0565 -6.92608 33.0567 9.51583 GPRESSAVG: 218800 49.634 -13.7769 -8.43823 -13.1017 -45.6704 32.3382 -6.68135 34.2553 9.83625 TIMING: 218800 CPU: 646.911, 0.00294857/step Wall: 646.911, 0.00294857/step, 3.91603 hours remaining, 203.175781 MB of memory in use. ENERGY: 218800 757.6693 2100.5071 1944.2412 117.8085 -205964.8051 17648.6517 0.0000 0.0000 34308.4992 -149087.4282 299.6247 -183395.9273 -148988.5215 299.3549 -182.4240 -148.8850 560303.5850 4.9109 4.6000 PRESSURE: 219000 40.9949 -52.1133 -106.643 -52.1123 59.6539 158.726 -106.642 158.727 -58.1395 GPRESSURE: 219000 141.388 8.83719 -127.486 -82.219 50.0828 209.896 -30.7574 77.3439 -40.4686 PRESSAVG: 219000 32.8771 0.584126 -24.1084 0.58409 54.8677 12.9043 -24.1083 12.9043 -73.7197 GPRESSAVG: 219000 33.6455 0.837636 -25.022 0.326093 54.059 14.491 -23.1393 13.8862 -73.0678 TIMING: 219000 CPU: 647.502, 0.00295807/step Wall: 647.502, 0.00295807/step, 3.92849 hours remaining, 203.175781 MB of memory in use. ENERGY: 219000 737.0035 2096.1890 1914.9288 113.5924 -206188.0006 17817.4411 0.0000 0.0000 34331.3610 -149177.4850 299.8243 -183508.8459 -149084.9889 300.1159 14.1698 50.3342 558330.5760 4.6750 4.8789 PRESSURE: 219200 -229.767 214.491 -88.2659 214.491 -320.639 -273.927 -88.2669 -273.926 -198.05 GPRESSURE: 219200 -190.746 191.344 -144.714 175.255 -272.817 -214.301 -51.9432 -347.794 -197.543 PRESSAVG: 219200 -11.9202 -27.4853 7.91686 -27.4853 26.3057 2.11333 7.91692 2.11333 -14.4213 GPRESSAVG: 219200 -12.0552 -26.2187 10.3747 -26.8386 27.0305 4.09556 7.60704 2.9656 -15.9793 TIMING: 219200 CPU: 648.089, 0.00293515/step Wall: 648.089, 0.00293515/step, 3.89788 hours remaining, 203.175781 MB of memory in use. ENERGY: 219200 737.8912 2075.3203 1938.6709 118.2021 -205845.2726 17524.3098 0.0000 0.0000 34180.5776 -149270.3007 298.5075 -183450.8783 -149176.5168 299.2169 -249.4855 -220.3686 558583.9628 -0.0120 -0.3347 PRESSURE: 219400 -294.737 -57.3755 104.383 -57.3759 59.7619 32.9069 104.384 32.9079 -292.573 GPRESSURE: 219400 -261.978 -17.5082 174.269 -74.4291 73.4184 8.65456 48.7669 48.2858 -246.435 PRESSAVG: 219400 -20.2502 99.8544 27.5788 99.8544 27.889 -45.3232 27.5789 -45.3233 36.8556 GPRESSAVG: 219400 -21.3185 99.3476 25.9806 100.877 27.4746 -47.8787 25.2549 -44.0504 37.7806 TIMING: 219400 CPU: 648.675, 0.00292782/step Wall: 648.675, 0.00292782/step, 3.88798 hours remaining, 203.175781 MB of memory in use. ENERGY: 219400 743.8616 2170.5883 1962.1815 114.7690 -206237.4367 17703.0788 0.0000 0.0000 34226.6936 -149316.2639 298.9102 -183542.9575 -149214.6529 298.7904 -175.8495 -144.9980 556844.9691 14.8315 14.6456 PRESSURE: 219600 -15.0165 -5.32241 -32.7334 -5.32224 -27.9577 -52.2897 -32.7339 -52.2895 117.848 GPRESSURE: 219600 82.3997 -29.5752 56.3936 -18.5659 6.97661 4.33042 24.508 -15.5642 83.82 PRESSAVG: 219600 3.2546 4.77732 3.33736 4.77728 41.2385 -19.0852 3.33742 -19.0852 -30.9401 GPRESSAVG: 219600 3.54257 4.03627 3.7143 3.7207 41.7161 -17.8973 6.19704 -23.1716 -31.6806 TIMING: 219600 CPU: 649.262, 0.00293422/step Wall: 649.262, 0.00293422/step, 3.89632 hours remaining, 203.175781 MB of memory in use. ENERGY: 219600 739.4891 2117.3688 1931.0293 105.2162 -206094.4526 17810.5791 0.0000 0.0000 34260.4519 -149130.3182 299.2050 -183390.7701 -149036.4269 299.5545 24.9578 57.7321 557196.2588 4.5177 4.5260 PRESSURE: 219800 -161.335 31.5168 -20.3343 31.5169 115.732 54.7705 -20.3347 54.7706 -57.4821 GPRESSURE: 219800 -121.17 74.2867 -65.5326 -77.5614 119.322 68.3097 -37.8187 -6.68883 -14.0372 PRESSAVG: 219800 -44.5267 12.3267 2.66418 12.3267 101.571 -41.5206 2.66424 -41.5206 -12.3521 GPRESSAVG: 219800 -43.4858 13.829 1.76789 11.1132 100.757 -42.9397 2.96276 -39.2109 -12.8196 TIMING: 219800 CPU: 649.849, 0.0029367/step Wall: 649.849, 0.0029367/step, 3.89945 hours remaining, 203.175781 MB of memory in use. ENERGY: 219800 749.5300 2099.8004 1939.9358 112.5997 -205969.5130 17769.9980 0.0000 0.0000 34157.7407 -149139.9085 298.3080 -183297.6492 -149038.6425 299.1529 -34.3617 -5.2951 558512.9025 14.8974 14.8173 PRESSURE: 220000 -71.4726 158.425 38.0065 158.425 81.2731 34.2902 38.0071 34.2911 -87.941 GPRESSURE: 220000 -47.4575 232.515 29.3782 160.569 123.813 76.4636 31.7185 -32.995 -60.1722 PRESSAVG: 220000 -15.2953 23.0671 -18.3955 23.067 75.4927 -2.81034 -18.3954 -2.81024 -88.8406 GPRESSAVG: 220000 -17.7088 21.447 -16.1148 25.4145 77.2171 -0.931925 -21.0125 -2.65614 -88.5838 TIMING: 220000 CPU: 650.433, 0.00292293/step Wall: 650.433, 0.00292293/step, 3.88101 hours remaining, 203.175781 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: 220000 777.6980 2078.9435 1968.1713 91.6268 -205959.1320 17698.9254 0.0000 0.0000 34164.0285 -149179.7387 298.3630 -183343.7671 -149078.9621 299.6732 -26.0469 5.3945 558039.7872 -9.5477 -9.6918 PRESSURE: 220200 -224.962 -16.1793 -73.753 -16.1797 -103.807 -100.506 -73.753 -100.508 77.0089 GPRESSURE: 220200 -194.07 -86.8428 -71.0028 -4.68397 -59.9889 -43.1559 -99.1183 -104.342 95.9318 PRESSAVG: 220200 -17.8877 14.7982 23.6573 14.7982 24.029 23.6109 23.6573 23.6108 -1.24044 GPRESSAVG: 220200 -17.2231 13.788 22.9987 13.993 23.2443 23.2298 25.3496 23.4157 -1.0076 TIMING: 220200 CPU: 651.021, 0.002937/step Wall: 651.021, 0.002937/step, 3.89953 hours remaining, 203.175781 MB of memory in use. ENERGY: 220200 722.7003 2137.8984 1963.0316 106.9382 -205890.0654 17643.7388 0.0000 0.0000 34224.2399 -149091.5181 298.8888 -183315.7580 -148988.3525 299.8948 -83.9202 -52.7091 557692.3122 1.6336 1.6712 LDB: ============= START OF LOAD BALANCING ============== 654.446 LDB: ============== END OF LOAD BALANCING =============== 654.446 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 654.448 LDB: ============= START OF LOAD BALANCING ============== 654.743 LDB: Largest compute 4848 load 0.032188 is 27.4% of average load 0.117679 LDB: Average compute 0.001740 is 1.5% of average load 0.117679 LDB: TIME 654.746 LOAD: AVG 0.117679 MAX 0.196329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.809 MB LDB: TIME 654.746 LOAD: AVG 0.117679 MAX 0.196329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.012 MB LDB: TIME 654.746 LOAD: AVG 0.117679 MAX 0.196329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.012 MB LDB: ============== END OF LOAD BALANCING =============== 654.748 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 654.752 PRESSURE: 220400 -319.684 -98.9987 6.86199 -98.9984 -200.236 -157.775 6.86178 -157.775 35.2977 GPRESSURE: 220400 -284.081 -72.8921 -14.2004 -64.4062 -94.015 -30.4787 -77.5352 -237.697 -16.4309 PRESSAVG: 220400 -77.4384 10.7573 -5.32446 10.7573 34.4691 18.9132 -5.32449 18.9132 25.5119 GPRESSAVG: 220400 -77.8782 11.9554 -7.16656 11.4142 34.7325 19.7257 -5.96329 17.7608 26.1234 TIMING: 220400 CPU: 651.622, 0.00300672/step Wall: 651.622, 0.00300671/step, 3.99192 hours remaining, 203.472656 MB of memory in use. ENERGY: 220400 762.5928 2010.3843 1951.0942 113.9920 -205467.9772 17461.3624 0.0000 0.0000 34170.7456 -148997.8060 298.4216 -183168.5516 -148896.9658 299.4803 -161.5409 -131.5090 559032.9925 -5.8192 -5.6741 PRESSURE: 220600 -137.018 -103.887 -44.4042 -103.888 56.039 -43.7834 -44.4045 -43.7846 90.0999 GPRESSURE: 220600 -69.7045 -41.4436 -31.3352 6.68885 55.4952 -75.3843 3.04674 -36.4161 101.486 PRESSAVG: 220600 32.8089 1.22489 24.6717 1.22486 -62.9942 -28.1104 24.6716 -28.1104 2.62493 GPRESSAVG: 220600 32.9975 1.05696 26.2872 0.12867 -63.0423 -30.4519 23.8039 -26.8632 1.88946 TIMING: 220600 CPU: 652.213, 0.00295589/step Wall: 652.213, 0.00295589/step, 3.92428 hours remaining, 203.472656 MB of memory in use. ENERGY: 220600 748.5228 2132.5604 1952.4234 113.7114 -206423.7644 17785.8484 0.0000 0.0000 34417.1802 -149273.5178 300.5738 -183690.6980 -149179.3414 299.5118 3.0403 29.0923 557726.8900 -9.1868 -9.3851 PRESSURE: 220800 92.5195 -17.0689 -20.8145 -17.0692 -8.79506 -73.2573 -20.8157 -73.2558 42.3965 GPRESSURE: 220800 136.929 -82.0264 18.7242 9.87168 23.601 -75.1489 -14.8211 -35.0447 68.3202 PRESSAVG: 220800 -9.00895 59.7925 15.4897 59.7925 -0.32569 62.7175 15.4898 62.7175 33.5911 GPRESSAVG: 220800 -9.75876 59.7701 14.0799 61.4399 -0.133586 65.5371 16.808 59.5982 34.3894 TIMING: 220800 CPU: 652.804, 0.00295157/step Wall: 652.804, 0.00295157/step, 3.91837 hours remaining, 203.472656 MB of memory in use. ENERGY: 220800 736.4467 2109.1272 1958.6689 116.3047 -206177.8723 17770.5707 0.0000 0.0000 34239.9625 -149246.7917 299.0261 -183486.7542 -149153.7330 299.2210 42.0403 76.2834 557850.3089 8.0855 8.1657 PRESSURE: 221000 -25.4448 0.665645 165.737 0.664409 -124.362 -28.7907 165.737 -28.7908 26.4606 GPRESSURE: 221000 44.6325 48.0639 105.1 24.9711 -80.9564 -71.2129 101.617 -39.8823 4.42748 PRESSAVG: 221000 -19.8435 52.3022 -3.49428 52.3022 -30.7304 9.01045 -3.4942 9.01052 -10.6966 GPRESSAVG: 221000 -18.8195 52.6641 -5.34073 52.0919 -32.6906 6.99259 -4.62429 12.5052 -10.0514 TIMING: 221000 CPU: 653.397, 0.00296881/step Wall: 653.397, 0.00296881/step, 3.94109 hours remaining, 203.472656 MB of memory in use. ENERGY: 221000 720.8147 2126.3311 1942.7759 104.7843 -206300.9254 17852.5146 0.0000 0.0000 34241.4913 -149312.2136 299.0395 -183553.7049 -149209.4178 298.8953 -41.1153 -10.6322 557221.8856 -20.4235 -20.5205 PRESSURE: 221200 -45.3708 71.4521 -182.415 71.4533 -93.3821 160.286 -182.415 160.288 -262.878 GPRESSURE: 221200 -73.1564 87.5614 -86.6331 120.743 -26.8242 171.031 -247.881 174.139 -217.643 PRESSAVG: 221200 36.8579 43.748 19.5698 43.7479 -16.6795 14.3583 19.5698 14.3584 -16.8173 GPRESSAVG: 221200 35.9661 43.8346 23.7659 41.2433 -15.386 12.9306 17.2186 12.8145 -17.8395 TIMING: 221200 CPU: 653.991, 0.00296844/step Wall: 653.991, 0.00296844/step, 3.94044 hours remaining, 203.582031 MB of memory in use. ENERGY: 221200 733.5271 2156.7585 1959.6202 113.8856 -206079.8058 17440.2519 0.0000 0.0000 34241.1949 -149434.5676 299.0369 -183675.7625 -149331.4463 298.9839 -133.8770 -105.8745 557702.6268 1.1204 0.9135 PRESSURE: 221400 -334.382 -43.2426 4.03226 -43.2425 -313.034 136.753 4.03178 136.754 58.8064 GPRESSURE: 221400 -276.595 67.7988 9.17406 -16.9631 -341.238 89.5736 31.2856 130.776 127.628 PRESSAVG: 221400 -26.013 46.833 68.0158 46.833 7.03784 53.8715 68.0159 53.8717 53.2888 GPRESSAVG: 221400 -27.1387 46.448 67.611 47.8938 6.9438 54.7622 71.4509 54.1457 53.7448 TIMING: 221400 CPU: 654.583, 0.00295758/step Wall: 654.583, 0.00295758/step, 3.92585 hours remaining, 203.582031 MB of memory in use. ENERGY: 221400 757.5570 2051.3068 1967.6544 122.8847 -206136.8729 17656.1671 0.0000 0.0000 34037.2415 -149544.0614 297.2557 -183581.3029 -149445.5390 298.6262 -196.2031 -163.4015 558308.6024 11.4379 11.1833 PRESSURE: 221600 -86.1714 32.9796 44.9942 32.9801 -265.81 166.297 44.9946 166.297 -158.76 GPRESSURE: 221600 -93.4792 -6.35793 56.9592 -28.8402 -224.493 66.2225 81.9643 215.094 -101.677 PRESSAVG: 221600 -5.28956 -6.94352 -26.5306 -6.94349 -25.5187 29.8951 -26.5306 29.8952 10.4348 GPRESSAVG: 221600 -4.86479 -7.82464 -27.9083 -5.34302 -25.5107 28.4087 -26.8279 32.0371 9.81928 TIMING: 221600 CPU: 655.177, 0.00297158/step Wall: 655.177, 0.00297158/step, 3.94427 hours remaining, 203.582031 MB of memory in use. ENERGY: 221600 747.8330 2107.1271 1956.8254 102.0458 -206238.6312 17734.2387 0.0000 0.0000 34112.8004 -149477.7607 297.9156 -183590.5611 -149378.9226 298.4300 -170.2474 -139.8831 558125.6834 -6.7912 -6.8521 PRESSURE: 221800 169.63 70.4679 -83.5193 70.4674 -27.6397 -32.3901 -83.5192 -32.3891 183.483 GPRESSURE: 221800 217.799 134.556 -45.0868 36.5818 65.7267 -20.1257 -26.2498 -65.9514 142.583 PRESSAVG: 221800 15.2305 30.1365 38.9164 30.1365 28.2191 51.8369 38.9165 51.8368 -64.7472 GPRESSAVG: 221800 15.7825 31.7378 39.3276 28.5126 26.9719 54.4694 38.5055 46.3539 -64.6601 TIMING: 221800 CPU: 655.771, 0.00296864/step Wall: 655.771, 0.00296864/step, 3.94022 hours remaining, 203.582031 MB of memory in use. ENERGY: 221800 703.8247 2113.5025 1970.8929 110.2872 -206393.9825 18061.7537 0.0000 0.0000 33956.4346 -149477.2869 296.5500 -183433.7215 -149387.6827 298.3514 108.4911 142.0362 557568.0966 -7.0992 -7.3019 PRESSURE: 222000 173.612 0.754409 -92.8042 0.753391 109.251 -93.3292 -92.8037 -93.33 -297.958 GPRESSURE: 222000 243.567 65.9289 -187.816 7.08732 101.393 -84.7643 -91.3315 -105.607 -265.847 PRESSAVG: 222000 -2.7836 -6.61504 -9.51784 -6.61515 59.0215 44.9762 -9.51788 44.9762 -46.7843 GPRESSAVG: 222000 -0.9742 -6.59756 -10.3806 -8.0339 58.5013 44.511 -7.91954 47.2929 -48.3365 TIMING: 222000 CPU: 656.367, 0.00298373/step Wall: 656.367, 0.00298373/step, 3.96007 hours remaining, 203.582031 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: 222000 756.4054 2105.1561 1937.1568 110.8724 -206282.8117 17791.0132 0.0000 0.0000 34153.8703 -149428.3376 298.2742 -183582.2079 -149330.3533 299.2512 -5.0316 26.3711 556890.3439 3.1512 3.0635 PRESSURE: 222200 -112.631 6.70494 -106.032 6.70412 38.0366 -22.1632 -106.033 -22.1615 62.6164 GPRESSURE: 222200 -39.8076 18.3223 -161.962 29.1342 51.771 -33.9454 -111.225 -12.0298 77.7879 PRESSAVG: 222200 22.1139 37.0928 9.97325 37.0928 27.9952 -14.5261 9.97321 -14.5262 -0.223217 GPRESSAVG: 222200 20.5833 37.3487 10.2622 37.2432 29.7414 -13.358 6.94107 -15.0201 -0.170955 TIMING: 222200 CPU: 656.957, 0.00294691/step Wall: 656.957, 0.00294691/step, 3.91104 hours remaining, 203.582031 MB of memory in use. ENERGY: 222200 739.6958 2070.1756 1945.4326 118.1081 -206729.9670 17809.3970 0.0000 0.0000 34573.6815 -149473.4764 301.9406 -184047.1579 -149372.5825 299.1959 -3.9927 29.9171 555491.3474 16.6286 16.7179 PRESSURE: 222400 71.9307 47.4435 -102.589 47.4428 -260.743 -3.5257 -102.589 -3.52608 -280.578 GPRESSURE: 222400 74.0579 47.9272 -106.175 7.99847 -242.564 -22.4152 -67.4515 -27.7136 -200.065 PRESSAVG: 222400 -1.42876 22.1556 -30.6297 22.1557 57.5456 -15.4565 -30.6297 -15.4565 -16.4519 GPRESSAVG: 222400 -1.83264 22.1467 -30.4754 23.558 57.2003 -17.0021 -28.3409 -14.3476 -15.6836 TIMING: 222400 CPU: 657.547, 0.00295106/step Wall: 657.547, 0.00295106/step, 3.91638 hours remaining, 203.582031 MB of memory in use. ENERGY: 222400 750.1029 2082.2720 1972.7834 107.5005 -206042.9030 17588.0872 0.0000 0.0000 34225.7647 -149316.3923 298.9021 -183542.1570 -149219.5647 299.4930 -156.4635 -122.8571 556393.6632 13.2216 13.2280 PRESSURE: 222600 352.753 -59.0946 -51.6504 -59.0934 -125.114 14.5409 -51.6508 14.5406 36.153 GPRESSURE: 222600 324.506 -121.577 -95.1719 -71.9421 -45.0867 -29.8137 60.7062 38.2348 76.5857 PRESSAVG: 222600 31.5852 26.5726 -4.59574 26.5725 -54.2321 -21.7584 -4.59577 -21.7585 7.5504 GPRESSAVG: 222600 32.8674 24.7779 -2.56586 27.8709 -55.2489 -22.7605 -5.08281 -21.792 7.47761 TIMING: 222600 CPU: 658.136, 0.00294573/step Wall: 658.136, 0.00294573/step, 3.90914 hours remaining, 203.582031 MB of memory in use. ENERGY: 222600 766.3457 2115.2322 1961.3770 117.6311 -206736.0427 18146.3445 0.0000 0.0000 34400.6293 -149228.4829 300.4293 -183629.1122 -149134.4501 298.9268 87.9305 118.6682 556380.0740 -5.0322 -4.9680 PRESSURE: 222800 164.873 -6.70944 84.5391 -6.70965 -154.122 -26.8037 84.5393 -26.8046 -122.161 GPRESSURE: 222800 126.358 -96.8048 153.77 20.9074 -71.3117 -30.1928 105.309 71.1264 -87.652 PRESSAVG: 222800 -13.564 21.6523 24.4252 21.6523 10.5356 -9.26529 24.4251 -9.26546 12.8047 GPRESSAVG: 222800 -15.0163 23.9448 23.0225 19.2318 11.3724 -7.46433 24.4106 -9.12098 13.2638 TIMING: 222800 CPU: 658.723, 0.0029343/step Wall: 658.723, 0.0029343/step, 3.89382 hours remaining, 203.781250 MB of memory in use. ENERGY: 222800 813.6936 2069.3504 1942.2269 110.9671 -206318.1872 17887.5153 0.0000 0.0000 34180.5640 -149313.8699 298.5074 -183494.4340 -149221.0124 298.9342 -37.1366 -10.8687 557353.9791 3.2588 3.2066 PRESSURE: 223000 -49.2294 -80.5923 -46.271 -80.5931 71.9928 -168.122 -46.2707 -168.123 6.09497 GPRESSURE: 223000 -30.8465 -82.721 -54.1469 -70.7647 102.266 -268.462 -70.0933 -119.837 58.1693 PRESSAVG: 223000 29.214 -3.57925 35.8484 -3.57927 -1.6828 -45.7445 35.8485 -45.7445 -1.11444 GPRESSAVG: 223000 29.0539 -6.90026 34.3173 -1.25306 -2.56511 -46.6161 36.4088 -47.2131 -0.511908 TIMING: 223000 CPU: 659.314, 0.00295279/step Wall: 659.314, 0.00295279/step, 3.91819 hours remaining, 203.781250 MB of memory in use. ENERGY: 223000 774.6003 2102.8017 1952.2268 128.5651 -206465.9977 17975.6330 0.0000 0.0000 34316.9522 -149215.2185 299.6985 -183532.1707 -149118.8927 299.2991 9.6195 43.1961 556739.0710 8.8056 8.6590 PRESSURE: 223200 -85.0346 76.3601 -49.5183 76.3609 -36.2603 -146.534 -49.5185 -146.535 -111.571 GPRESSURE: 223200 13.9858 76.7483 86.3054 50.5276 -42.5305 -148.284 -43.0967 -182.773 -105.343 PRESSAVG: 223200 -16.2345 -39.5647 48.9099 -39.5647 0.190647 17.9941 48.9098 17.994 38.9311 GPRESSAVG: 223200 -15.2411 -37.5293 51.1404 -41.0052 0.777751 18.6388 48.8311 18.8004 37.3147 TIMING: 223200 CPU: 659.906, 0.00296377/step Wall: 659.906, 0.00296377/step, 3.93259 hours remaining, 203.781250 MB of memory in use. ENERGY: 223200 770.7247 2095.8210 1956.9915 112.6912 -206386.8811 17826.8468 0.0000 0.0000 34393.7333 -149230.0726 300.3690 -183623.8060 -149129.0023 299.4415 -77.6221 -44.6291 555760.5997 7.6291 7.6171 PRESSURE: 223400 -69.2813 111.891 -121.76 111.892 125.255 -28.5329 -121.76 -28.5333 -218.151 GPRESSURE: 223400 -64.385 135.025 -102.996 197.143 151.681 -19.6127 -45.6167 -2.06964 -156.615 PRESSAVG: 223400 -13.6775 8.0512 19.9549 8.05119 8.2589 -44.88 19.9548 -44.8799 20.4008 GPRESSAVG: 223400 -13.9581 5.58865 19.2939 10.1253 8.48343 -44.008 20.0643 -45.8721 20.3375 TIMING: 223400 CPU: 660.5, 0.00296849/step Wall: 660.5, 0.00296849/step, 3.93869 hours remaining, 203.781250 MB of memory in use. ENERGY: 223400 738.1847 2085.8817 1949.6211 111.9666 -205913.9758 17427.8724 0.0000 0.0000 34344.8325 -149255.6169 299.9420 -183600.4493 -149149.2564 299.6925 -54.0593 -23.1060 555557.5075 4.9941 4.9543 PRESSURE: 223600 70.3932 39.7323 52.3219 39.7316 -12.5293 -113.813 52.3208 -113.815 135.984 GPRESSURE: 223600 140.623 51.3538 38.8704 -32.5966 13.3705 -82.8336 124.209 -129.992 133.388 PRESSAVG: 223600 67.5506 63.8537 52.1407 63.8538 38.7133 -7.62947 52.1406 -7.62956 -78.2835 GPRESSAVG: 223600 67.5671 63.8919 50.6773 61.9231 38.1935 -7.63649 52.5073 -5.54061 -77.9497 TIMING: 223600 CPU: 661.091, 0.00295526/step Wall: 661.091, 0.00295526/step, 3.92097 hours remaining, 203.781250 MB of memory in use. ENERGY: 223600 762.3433 2070.2139 1942.3582 118.6025 -206158.0756 17856.4289 0.0000 0.0000 34092.5030 -149315.6259 297.7383 -183408.1289 -149219.3443 299.1002 64.6160 95.7938 556323.8076 9.3268 9.2703 PRESSURE: 223800 199.299 88.9562 -71.045 88.9555 -101.886 -85.0488 -71.0444 -85.0482 -49.8266 GPRESSURE: 223800 222.705 6.83495 -63.1393 112.261 -78.1824 -18.7264 -56.4576 -92.7859 0.441936 PRESSAVG: 223800 5.48071 73.2434 55.6554 73.2433 -29.3178 -12.6833 55.6554 -12.6832 41.4672 GPRESSAVG: 223800 5.30745 74.2214 56.1127 73.8975 -29.5593 -14.5725 53.8202 -12.5898 41.5023 TIMING: 223800 CPU: 661.681, 0.0029479/step Wall: 661.681, 0.0029479/step, 3.91104 hours remaining, 203.781250 MB of memory in use. ENERGY: 223800 773.1872 2135.0441 1941.3075 107.2819 -206311.0061 17879.1531 0.0000 0.0000 34340.0996 -149134.9326 299.9006 -183475.0323 -149040.3265 298.9996 15.8623 48.3214 557274.0441 5.8767 5.7502 PRESSURE: 224000 -260.671 60.4514 9.01994 60.4525 6.19767 78.557 9.01963 78.5581 -110.872 GPRESSURE: 224000 -224.147 45.2289 -17.2679 -84.2078 25.7778 140.078 7.32838 -63.6471 -74.7191 PRESSAVG: 224000 0.43274 7.76921 -14.6384 7.7691 9.23814 7.8602 -14.6383 7.86025 24.4395 GPRESSAVG: 224000 0.127848 9.31634 -13.3192 5.7573 10.2824 9.67202 -12.947 6.31495 23.4513 TIMING: 224000 CPU: 662.271, 0.00295376/step Wall: 662.271, 0.00295376/step, 3.91865 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: 224000 694.6910 2091.3458 1938.4103 109.1081 -205798.5848 17509.0520 0.0000 0.0000 34254.7316 -149201.2459 299.1551 -183455.9776 -149104.5531 299.0386 -121.7819 -91.0296 558517.3182 11.3701 11.2872 PRESSURE: 224200 -85.0377 -109.743 232.405 -109.742 -52.8162 -123.935 232.404 -123.935 -181.597 GPRESSURE: 224200 -46.6185 -141.1 289.866 -66.3208 30.1522 -56.0933 240.71 -85.1814 -207.822 PRESSAVG: 224200 -39.3616 4.7409 23.0224 4.74083 28.894 -12.0429 23.0224 -12.0428 16.8321 GPRESSAVG: 224200 -40.1286 3.73207 20.911 6.55922 27.6565 -13.426 23.7954 -8.99899 18.648 TIMING: 224200 CPU: 662.86, 0.00294423/step Wall: 662.86, 0.00294423/step, 3.90585 hours remaining, 203.781250 MB of memory in use. ENERGY: 224200 730.0025 2142.3235 1937.1953 112.3019 -206017.8148 17588.4333 0.0000 0.0000 34201.0523 -149306.5059 298.6863 -183507.5583 -149214.5621 298.8531 -106.4836 -74.7628 556718.8662 2.1215 2.0587 LDB: ============= START OF LOAD BALANCING ============== 666.286 LDB: ============== END OF LOAD BALANCING =============== 666.286 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 666.288 LDB: ============= START OF LOAD BALANCING ============== 666.584 LDB: Largest compute 4848 load 0.030197 is 25.6% of average load 0.117730 LDB: Average compute 0.001733 is 1.5% of average load 0.117730 LDB: TIME 666.586 LOAD: AVG 0.11773 MAX 0.19761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.406 MB LDB: TIME 666.586 LOAD: AVG 0.11773 MAX 0.19761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: TIME 666.586 LOAD: AVG 0.11773 MAX 0.19761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 666.588 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 666.592 PRESSURE: 224400 -149.535 -19.9956 88.2227 -19.9967 -101.177 95.9187 88.2228 95.9177 -78.4551 GPRESSURE: 224400 -97.4447 -76.0622 145.929 29.7337 0.877142 54.5141 116.444 118.141 -139.158 PRESSAVG: 224400 11.7739 3.01978 -19.7861 3.01981 11.5118 14.4881 -19.786 14.4881 -16.4248 GPRESSAVG: 224400 13.028 3.90083 -18.4269 0.796106 11.0443 13.7015 -20.9354 12.441 -17.2442 TIMING: 224400 CPU: 663.463, 0.00301107/step Wall: 663.463, 0.00301107/step, 3.99436 hours remaining, 203.894531 MB of memory in use. ENERGY: 224400 756.8496 2072.1888 1947.1058 115.5772 -206027.1504 17638.8830 0.0000 0.0000 34278.9737 -149217.5724 299.3668 -183496.5461 -149117.8254 299.2753 -109.7226 -78.5751 557160.9942 2.2870 2.2760 PRESSURE: 224600 -242.135 46.6811 93.3575 46.6803 -100.127 -140.547 93.3572 -140.545 -99.2567 GPRESSURE: 224600 -203.706 91.1579 119.018 59.2675 -60.3498 -157.167 75.4186 -94.0641 -89.804 PRESSAVG: 224600 -44.0174 10.7053 18.4815 10.7054 40.9344 -15.9307 18.4815 -15.9308 4.92386 GPRESSAVG: 224600 -43.9403 10.493 18.5678 10.4369 41.1273 -18.5006 17.6649 -14.0489 4.05199 TIMING: 224600 CPU: 664.055, 0.00296116/step Wall: 664.055, 0.00296116/step, 3.92798 hours remaining, 203.894531 MB of memory in use. ENERGY: 224600 766.6639 2053.7388 1942.2860 104.1977 -206285.0497 17809.1893 0.0000 0.0000 34254.1149 -149354.8590 299.1497 -183608.9739 -149257.9007 298.8839 -147.1728 -117.9532 558969.4722 0.6136 0.4130 PRESSURE: 224800 105.741 8.1055 137.068 8.10435 102.948 100.714 137.069 100.717 284.838 GPRESSURE: 224800 158.153 -28.7931 35.1648 142.843 133.072 139.043 211.848 38.2989 294.615 PRESSAVG: 224800 27.5972 26.3086 -26.3927 26.3086 -50.812 18.6511 -26.3927 18.6512 9.58172 GPRESSAVG: 224800 27.3901 25.5176 -27.551 30.0897 -51.2003 21.9207 -23.5409 16.177 9.98363 TIMING: 224800 CPU: 664.646, 0.00295483/step Wall: 664.646, 0.00295483/step, 3.91942 hours remaining, 203.894531 MB of memory in use. ENERGY: 224800 746.8262 2099.0483 1948.6433 116.6299 -206338.9631 17975.2388 0.0000 0.0000 34270.1004 -149182.4763 299.2893 -183452.5767 -149091.1083 299.0948 164.5090 195.2799 556639.8113 -4.5444 -4.6089 PRESSURE: 225000 -61.9492 -224.158 208.803 -224.158 -125.458 107.28 208.803 107.281 -382.095 GPRESSURE: 225000 -18.2342 -272.342 173.663 -208.126 -98.8154 14.3668 98.5306 197.935 -354.372 PRESSAVG: 225000 -1.6388 -31.5447 4.46785 -31.5448 -38.9896 1.66865 4.46783 1.66856 34.1727 GPRESSAVG: 225000 -1.41994 -31.2176 5.50886 -33.7584 -40.0115 1.43242 1.89925 2.44214 34.8026 TIMING: 225000 CPU: 665.238, 0.00296249/step Wall: 665.238, 0.00296249/step, 3.92941 hours remaining, 203.894531 MB of memory in use. ENERGY: 225000 794.8706 2009.5198 1925.3755 124.0811 -206165.8324 17905.6404 0.0000 0.0000 34148.7616 -149257.5833 298.2296 -183406.3449 -149153.1266 299.3459 -189.8341 -157.1405 559926.9725 -2.1519 -2.2096 PRESSURE: 225200 -168.604 -81.2505 -114.45 -81.2496 -186.098 30.7094 -114.449 30.7089 -44.8998 GPRESSURE: 225200 -110.106 -55.1814 -148.508 -135.02 -114.168 -78.8641 -38.5416 102.4 -79.6967 PRESSAVG: 225200 -2.91444 -16.8992 74.8186 -16.8992 11.0732 -31.3771 74.8187 -31.3771 18.5228 GPRESSAVG: 225200 -3.65199 -17.419 72.6722 -17.1012 12.0399 -33.3975 76.0646 -30.2203 18.5028 TIMING: 225200 CPU: 665.833, 0.00297635/step Wall: 665.833, 0.00297635/step, 3.94764 hours remaining, 203.894531 MB of memory in use. ENERGY: 225200 809.5478 2086.3710 1957.0423 116.4991 -206037.0627 17755.5735 0.0000 0.0000 34172.8890 -149139.1400 298.4403 -183312.0290 -149045.9716 299.6723 -133.2007 -101.3234 559742.1024 8.8939 8.9636 PRESSURE: 225400 -120.276 106.878 -54.2063 106.878 77.2193 -325.484 -54.2063 -325.485 1.83857 GPRESSURE: 225400 -86.8445 22.1894 -45.1967 105.848 78.4932 -174.312 -92.5598 -310.886 59.9355 PRESSAVG: 225400 -26.9638 0.0800123 7.92571 0.0799593 -13.3349 -30.8283 7.92571 -30.8282 45.9313 GPRESSAVG: 225400 -26.4537 -0.830572 9.36878 0.712869 -13.0675 -30.8742 7.37354 -28.4642 44.9603 TIMING: 225400 CPU: 666.429, 0.00297982/step Wall: 666.429, 0.00297982/step, 3.95207 hours remaining, 203.894531 MB of memory in use. ENERGY: 225400 763.6873 2047.4591 1977.4759 117.1089 -205909.2070 17779.7012 0.0000 0.0000 34221.4274 -149002.3472 298.8642 -183223.7746 -148907.7003 299.3418 -13.7394 17.1947 558316.5412 1.8775 1.8130 PRESSURE: 225600 -14.3874 237.395 -51.2004 237.395 -73.3468 -100.982 -51.2009 -100.982 156.734 GPRESSURE: 225600 52.6023 255.706 -119.423 252.668 -58.429 -88.8005 3.52469 -163.499 171.849 PRESSAVG: 225600 -52.7485 -30.2657 -14.5155 -30.2656 -10.0909 -57.3399 -14.5156 -57.34 84.4415 GPRESSAVG: 225600 -52.2713 -27.2434 -13.7575 -31.2733 -10.0245 -54.7665 -12.2891 -61.5253 83.8813 TIMING: 225600 CPU: 667.025, 0.00297791/step Wall: 667.025, 0.0029779/step, 3.94936 hours remaining, 203.894531 MB of memory in use. ENERGY: 225600 756.1020 2089.5093 1963.9512 115.7903 -205965.7783 17734.5665 0.0000 0.0000 34363.8098 -148942.0492 300.1077 -183305.8590 -148848.4752 300.2057 22.9999 55.3407 557922.5517 7.2007 7.1951 PRESSURE: 225800 -48.3603 -54.444 180.832 -54.4459 -30.8192 -118.502 180.832 -118.502 -85.2396 GPRESSURE: 225800 -9.35199 -74.7924 140.21 -121.804 -17.4647 -115.378 191.075 -150.405 -36.1481 PRESSAVG: 225800 -62.9624 11.3404 -31.5305 11.3404 52.2913 -53.7458 -31.5305 -53.7457 39.8066 GPRESSAVG: 225800 -63.3037 9.4516 -29.3964 12.069 51.854 -53.8051 -33.2423 -54.9007 40.3987 TIMING: 225800 CPU: 667.617, 0.00296002/step Wall: 667.617, 0.00296002/step, 3.92548 hours remaining, 203.894531 MB of memory in use. ENERGY: 225800 746.0596 2045.7147 1951.6246 128.2662 -206123.6774 17880.7211 0.0000 0.0000 34302.2089 -149069.0822 299.5697 -183371.2911 -148971.0071 299.8943 -54.8064 -20.9883 558660.1029 9.7118 9.6497 PRESSURE: 226000 -36.7779 -69.697 -85.0417 -69.6956 1.55382 234 -85.0412 234.001 -116.323 GPRESSURE: 226000 -6.98117 -50.1192 -35.4016 -58.8897 30.3254 179.749 -54.9377 184.159 -74.0852 PRESSAVG: 226000 16.0116 13.9466 27.5845 13.9466 14.3796 -24.6208 27.5844 -24.6207 -26.3982 GPRESSAVG: 226000 15.9702 15.3851 27.6321 14.2456 13.4544 -24.4468 26.7103 -23.1396 -25.7983 TIMING: 226000 CPU: 668.217, 0.00299876/step Wall: 668.217, 0.00299876/step, 3.97668 hours remaining, 203.894531 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: 226000 768.3413 2063.1383 1949.5010 117.3320 -206085.9471 17776.7855 0.0000 0.0000 34219.7570 -149191.0920 298.8496 -183410.8490 -149094.9342 299.8453 -50.5158 -16.9136 558897.2036 1.3310 1.2088 PRESSURE: 226200 -62.3315 -62.554 66.4506 -62.5531 -136.418 -56.2169 66.4503 -56.2174 -103.871 GPRESSURE: 226200 -11.1718 -36.753 54.1231 -68.8766 -133.074 -40.6457 41.2267 14.4917 -70.3582 PRESSAVG: 226200 28.2035 -20.3773 34.0201 -20.3773 -0.818858 -13.9348 34.02 -13.9349 -12.252 GPRESSAVG: 226200 27.335 -21.1873 32.1952 -19.4781 0.0719476 -14.9285 33.6561 -10.2214 -12.7127 TIMING: 226200 CPU: 668.817, 0.00299878/step Wall: 668.817, 0.00299878/step, 3.97654 hours remaining, 203.894531 MB of memory in use. ENERGY: 226200 737.4626 2096.5955 1909.7270 107.4724 -205943.9172 17678.3534 0.0000 0.0000 34167.7393 -149246.5671 298.3954 -183414.3064 -149149.9387 299.0197 -100.8734 -71.5347 557818.4795 5.0442 4.8981 PRESSURE: 226400 -28.802 166.119 92.2045 166.119 124.409 -17.1035 92.204 -17.1036 -17.2033 GPRESSURE: 226400 -6.44266 170.505 127.946 201.325 127.04 -99.0695 64.4149 11.7845 49.8324 PRESSAVG: 226400 0.877342 -14.4491 55.8226 -14.4491 -12.4741 36.9714 55.8225 36.9713 -27.0719 GPRESSAVG: 226400 0.526763 -12.3195 55.4231 -14.0612 -12.7084 37.6137 57.3892 35.296 -27.1253 TIMING: 226400 CPU: 669.413, 0.00298228/step Wall: 669.413, 0.00298228/step, 3.9545 hours remaining, 203.894531 MB of memory in use. ENERGY: 226400 719.0819 2049.5408 1934.5956 113.5461 -206064.2849 17851.3294 0.0000 0.0000 34065.7423 -149330.4487 297.5046 -183396.1910 -149235.6314 298.3724 26.1347 56.8101 559731.1375 -12.8895 -13.1023 PRESSURE: 226600 -303.722 -123.311 150.636 -123.31 50.8207 -93.8331 150.636 -93.8319 -24.645 GPRESSURE: 226600 -271.258 -156.077 215.488 -90.5212 91.4758 -126.46 249.999 -48.4157 -12.974 PRESSAVG: 226600 -40.8116 -26.696 -1.91231 -26.6961 71.5554 13.2317 -1.91229 13.2316 -66.7088 GPRESSAVG: 226600 -40.2908 -26.1764 -1.92405 -29.6362 70.7928 11.1272 -2.30959 12.0782 -66.2595 TIMING: 226600 CPU: 670.013, 0.00300111/step Wall: 670.013, 0.00300111/step, 3.9793 hours remaining, 203.894531 MB of memory in use. ENERGY: 226600 750.4119 2075.0542 1926.5087 117.0237 -206254.6545 17921.9876 0.0000 0.0000 34103.4966 -149360.1718 297.8343 -183463.6684 -149261.7534 298.6058 -92.5153 -64.2521 559385.8782 -11.9883 -11.9192 PRESSURE: 226800 58.9814 -19.0333 72.6479 -19.0327 -141.97 -211.783 72.6489 -211.785 -49.7632 GPRESSURE: 226800 55.7593 -73.9716 120.091 -10.9274 -120.498 -238.441 71.4322 -163.918 11.1212 PRESSAVG: 226800 -4.61961 12.0816 -4.52546 12.0815 50.4692 -49.2588 -4.52548 -49.2588 -64.2399 GPRESSAVG: 226800 -5.21715 10.0997 -5.02673 14.703 50.923 -46.2316 -4.28014 -50.0989 -63.9687 TIMING: 226800 CPU: 670.606, 0.00296375/step Wall: 670.606, 0.00296375/step, 3.9296 hours remaining, 203.894531 MB of memory in use. ENERGY: 226800 721.5200 2065.1607 1937.9317 106.7661 -206313.6722 17849.3696 0.0000 0.0000 34321.1500 -149311.7742 299.7351 -183632.9242 -149216.9008 298.5052 -44.2507 -17.8726 559155.4948 -6.1301 -6.0876 PRESSURE: 227000 -44.4062 -54.3322 188.242 -54.3323 -137.187 180.718 188.243 180.719 -318.133 GPRESSURE: 227000 44.4059 55.8845 225.572 -58.7037 -144.352 256.897 121.7 104.183 -296.815 PRESSAVG: 227000 -7.19591 -18.9024 -23.0708 -18.9024 23.9408 -11.7156 -23.0708 -11.7155 -7.91862 GPRESSAVG: 227000 -7.19122 -18.5004 -24.2936 -19.6186 23.4824 -10.6415 -24.6424 -10.5495 -7.40405 TIMING: 227000 CPU: 671.202, 0.00297789/step Wall: 671.202, 0.00297789/step, 3.94818 hours remaining, 203.894531 MB of memory in use. ENERGY: 227000 713.3143 2008.0365 1940.6149 112.5544 -205753.0933 17566.4681 0.0000 0.0000 34130.0223 -149282.0828 298.0660 -183412.1052 -149180.8928 298.4914 -166.5753 -132.2536 560415.4758 2.9421 2.9624 PRESSURE: 227200 -25.6047 -14.7932 -149.237 -14.7929 276.655 74.0738 -149.238 74.0741 228.359 GPRESSURE: 227200 35.6312 -72.1034 -144.683 46.995 329.464 -53.7837 -147.573 114.691 207.635 PRESSAVG: 227200 -36.8511 -39.1137 14.6959 -39.1136 2.42439 -18.9367 14.6958 -18.9368 -5.08475 GPRESSAVG: 227200 -38.3323 -38.7425 16.3767 -37.9925 3.78564 -19.7802 14.8645 -18.4955 -5.38146 TIMING: 227200 CPU: 671.798, 0.00298224/step Wall: 671.798, 0.00298224/step, 3.95379 hours remaining, 203.894531 MB of memory in use. ENERGY: 227200 698.2951 2148.0467 1938.7875 102.2294 -206355.3201 18070.3555 0.0000 0.0000 34317.2388 -149080.3672 299.7010 -183397.6059 -148987.0011 298.7845 159.8031 190.9100 558561.7159 -13.1705 -13.3094 PRESSURE: 227400 -374.575 -80.5516 63.8984 -80.5524 -201.958 -35.7142 63.8988 -35.7146 143.008 GPRESSURE: 227400 -329.834 -74.309 -6.01594 -69.3719 -144.07 -41.5023 107.947 51.2017 145.672 PRESSAVG: 227400 -33.3324 19.2684 -3.50633 19.2684 -35.8006 -17.546 -3.50633 -17.5458 49.8398 GPRESSAVG: 227400 -32.0684 18.4486 -2.72268 19.1278 -36.2886 -16.689 -2.53879 -18.5516 49.1111 TIMING: 227400 CPU: 672.394, 0.00297879/step Wall: 672.394, 0.00297879/step, 3.94905 hours remaining, 203.894531 MB of memory in use. ENERGY: 227400 759.7456 2035.8911 1965.7218 109.6259 -206268.3483 17888.0496 0.0000 0.0000 34318.7072 -149190.6072 299.7138 -183509.3144 -149097.4375 299.7372 -144.5084 -109.4106 558545.4597 -6.4311 -6.4153 PRESSURE: 227600 -352.28 -79.1408 -148.51 -79.1406 215.798 -17.1328 -148.51 -17.1331 -9.40611 GPRESSURE: 227600 -271.398 -85.3079 -98.0991 10.5453 243.141 -84.816 -183.96 10.2274 -20.0398 PRESSAVG: 227600 -19.6248 11.3401 -47.5244 11.3402 -68.9714 8.53467 -47.5245 8.53473 96.1545 GPRESSAVG: 227600 -19.5564 11.0668 -47.6536 10.3152 -69.5524 9.06289 -49.422 9.22461 96.3583 TIMING: 227600 CPU: 672.991, 0.00298843/step Wall: 672.991, 0.00298843/step, 3.96166 hours remaining, 203.894531 MB of memory in use. ENERGY: 227600 768.1812 2052.7197 1953.1543 122.9957 -206019.6494 17698.4296 0.0000 0.0000 34174.0037 -149250.1651 298.4501 -183424.1689 -149154.9311 299.4766 -48.6293 -16.0989 557757.2410 2.5194 2.4165 PRESSURE: 227800 -40.0975 79.3992 -221.763 79.3996 180.558 -55.0196 -221.763 -55.0205 1.72864 GPRESSURE: 227800 24.2085 51.8221 -256.798 87.7148 147.916 -61.3318 -214.127 -25.5893 57.6896 PRESSAVG: 227800 -22.684 45.673 -49.101 45.6731 -39.879 -14.7557 -49.1011 -14.7557 42.2807 GPRESSAVG: 227800 -22.6235 48.9939 -47.952 45.1564 -40.3393 -16.9346 -47.3348 -15.5023 42.9073 TIMING: 227800 CPU: 673.586, 0.00297398/step Wall: 673.586, 0.00297398/step, 3.94234 hours remaining, 203.894531 MB of memory in use. ENERGY: 227800 718.5619 2115.5409 1949.5911 108.3443 -205991.0549 17654.4730 0.0000 0.0000 34328.6001 -149115.9436 299.8002 -183444.5437 -149014.9727 299.3826 47.3964 76.6047 557689.2727 -6.7607 -6.6852 PRESSURE: 228000 -383.534 -74.3481 76.028 -74.3481 -57.1224 43.188 76.0269 43.1868 -107.678 GPRESSURE: 228000 -321.568 -161.044 108.367 0.595395 -69.3199 29.1147 234.511 71.565 -72.2806 PRESSAVG: 228000 -37.5877 2.79847 4.17516 2.79842 -29.7563 -6.97593 4.17513 -6.97594 33.9084 GPRESSAVG: 228000 -37.3199 0.518804 4.21116 2.84056 -29.288 -7.04422 2.83096 -5.0706 33.3018 TIMING: 228000 CPU: 674.178, 0.00295796/step Wall: 674.178, 0.00295796/step, 3.92094 hours remaining, 203.894531 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: 228000 762.6769 2052.3787 1942.4423 112.3891 -205802.6594 17698.2118 0.0000 0.0000 34126.0866 -149108.4740 298.0316 -183234.5606 -149013.6952 299.1633 -182.7781 -154.3896 559228.5403 -11.1452 -11.1020 PRESSURE: 228200 128.814 60.964 82.4527 60.9626 9.23059 -79.2117 82.4529 -79.2118 -121.814 GPRESSURE: 228200 199.823 75.0616 47.0775 11.7943 35.8035 -124.215 68.3537 -40.88 -112.167 PRESSAVG: 228200 73.525 -41.6268 -16.7334 -41.6269 -29.765 -15.6974 -16.7333 -15.6976 -5.00017 GPRESSAVG: 228200 74.0338 -40.7866 -18.114 -42.2455 -29.7124 -14.359 -14.1571 -15.8124 -5.45644 TIMING: 228200 CPU: 674.772, 0.00297142/step Wall: 674.772, 0.00297142/step, 3.93862 hours remaining, 203.894531 MB of memory in use. ENERGY: 228200 698.5693 2099.1815 1935.7913 116.3203 -205867.8101 17737.1167 0.0000 0.0000 34074.9068 -149205.9242 297.5846 -183280.8310 -149107.8822 298.8553 5.4103 41.1531 558201.3846 12.9199 12.9550 LDB: ============= START OF LOAD BALANCING ============== 678.202 LDB: ============== END OF LOAD BALANCING =============== 678.202 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 678.203 LDB: ============= START OF LOAD BALANCING ============== 678.501 LDB: Largest compute 4848 load 0.029189 is 24.8% of average load 0.117621 LDB: Average compute 0.001739 is 1.5% of average load 0.117621 LDB: TIME 678.503 LOAD: AVG 0.117621 MAX 0.196181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.152 MB LDB: TIME 678.503 LOAD: AVG 0.117621 MAX 0.196181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.191 MB LDB: TIME 678.503 LOAD: AVG 0.117621 MAX 0.196181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.191 MB LDB: ============== END OF LOAD BALANCING =============== 678.505 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 678.509 PRESSURE: 228400 -182.104 90.6199 154.074 90.6213 182.2 125.964 154.074 125.966 -69.1012 GPRESSURE: 228400 -106.307 37.937 118.283 14.8466 184.777 109.185 105.413 116.458 -51.758 PRESSAVG: 228400 16.0348 -41.789 27.3167 -41.7889 -21.7912 17.772 27.3167 17.772 -15.4625 GPRESSAVG: 228400 15.0952 -40.6746 27.7038 -41.0396 -21.8266 19.4085 23.3742 16.3609 -14.9675 TIMING: 228400 CPU: 675.38, 0.00303775/step Wall: 675.38, 0.00303775/step, 4.02637 hours remaining, 204.281250 MB of memory in use. ENERGY: 228400 776.4295 2028.5426 1925.5982 101.4347 -206183.2355 17756.2936 0.0000 0.0000 34413.7924 -149181.1444 300.5442 -183594.9368 -149085.8885 299.0166 -23.0016 8.9041 558159.0520 -7.0730 -7.2330 PRESSURE: 228600 37.6667 -52.7623 -41.6266 -52.7614 -251.064 75.0294 -41.626 75.0291 -81.4719 GPRESSURE: 228600 120.599 -74.0767 -158.46 -60.6785 -257.45 44.1028 44.1238 123.735 -77.8877 PRESSAVG: 228600 41.6111 11.2192 22.6952 11.2192 -41.1473 30.98 22.6952 30.98 -10.6303 GPRESSAVG: 228600 41.2753 9.63805 21.336 11.6696 -40.5407 28.6051 26.3087 31.4718 -11.0977 TIMING: 228600 CPU: 675.976, 0.00298187/step Wall: 675.976, 0.00298187/step, 3.95214 hours remaining, 204.539062 MB of memory in use. ENERGY: 228600 789.7025 2026.1476 1951.8180 116.0169 -205822.8376 17761.7477 0.0000 0.0000 34143.0622 -149034.3427 298.1799 -183177.4049 -148936.2085 299.3727 -98.2896 -71.5795 558939.5856 -3.3888 -3.4543 PRESSURE: 228800 216.695 -40.6557 -52.3767 -40.6562 24.4421 -70.2456 -52.3763 -70.2474 300.729 GPRESSURE: 228800 243.941 -80.8313 -98.8661 -37.5105 79.7489 -65.4531 -49.7483 -39.925 317.274 PRESSAVG: 228800 3.34803 22.7038 -28.602 22.7038 40.2542 54.436 -28.6019 54.4361 -11.1154 GPRESSAVG: 228800 3.22916 22.8277 -27.5422 23.3899 40.4462 53.2046 -28.8532 55.1034 -11.2157 TIMING: 228800 CPU: 676.571, 0.00297258/step Wall: 676.571, 0.00297258/step, 3.93966 hours remaining, 204.593750 MB of memory in use. ENERGY: 228800 744.8934 2018.4464 1930.8258 117.9027 -206292.2146 18011.3977 0.0000 0.0000 34475.6713 -148993.0773 301.0846 -183468.7486 -148895.7927 300.6926 180.6221 213.6547 557180.9684 10.8289 10.8199 PRESSURE: 229000 97.6139 115.033 55.2658 115.033 36.2685 -113.456 55.2658 -113.458 -250.974 GPRESSURE: 229000 99.9021 113.37 135.866 39.4055 46.1409 -77.549 1.78704 -124.225 -159.101 PRESSAVG: 229000 28.6533 32.9716 13.1711 32.9716 -46.0034 -13.04 13.171 -13.0399 5.46419 GPRESSAVG: 229000 29.6105 33.6946 11.657 30.402 -46.5101 -10.0873 12.4348 -11.9569 5.32017 TIMING: 229000 CPU: 677.173, 0.00301098/step Wall: 677.173, 0.00301098/step, 3.99039 hours remaining, 204.601562 MB of memory in use. ENERGY: 229000 709.9371 2107.6955 1965.7156 104.6224 -206103.7802 17771.7268 0.0000 0.0000 34357.1282 -149086.9547 300.0493 -183444.0829 -148983.3879 300.1957 -39.0307 -4.3525 557507.8917 -3.9620 -3.8598 PRESSURE: 229200 -75.4714 84.6096 -127.02 84.6097 -185.597 39.0935 -127.02 39.093 -25.8863 GPRESSURE: 229200 -49.5878 73.4621 -141.962 100.562 -133.478 28.871 -97.0611 39.1664 -13.3066 PRESSAVG: 229200 44.5354 61.2585 -27.683 61.2585 -21.5961 27.1357 -27.683 27.1357 -29.107 GPRESSAVG: 229200 45.0432 60.4291 -24.9404 65.8125 -20.4051 25.9664 -28.2942 26.9463 -30.7936 TIMING: 229200 CPU: 677.768, 0.00297708/step Wall: 677.768, 0.00297708/step, 3.94529 hours remaining, 204.601562 MB of memory in use. ENERGY: 229200 770.5321 2166.7782 1971.8354 108.3250 -206091.8025 17765.8827 0.0000 0.0000 34317.2052 -148991.2439 299.7007 -183308.4490 -148895.0549 299.9179 -95.6517 -65.4575 557772.3751 -2.0559 -2.0519 PRESSURE: 229400 266.038 147.612 36.4809 147.612 -72.9954 -141.232 36.4805 -141.231 156.993 GPRESSURE: 229400 321.031 196.088 -30.7949 131.648 -84.1792 -82.2329 -19.3643 -90.4142 210.38 PRESSAVG: 229400 46.6061 11.1416 -16.4168 11.1415 -42.7658 -12.3119 -16.4168 -12.3119 -15.9507 GPRESSAVG: 229400 46.0284 13.2894 -16.7403 7.13923 -43.7256 -12.0004 -16.1232 -12.5543 -14.2952 TIMING: 229400 CPU: 678.367, 0.00299545/step Wall: 678.367, 0.00299545/step, 3.96947 hours remaining, 204.601562 MB of memory in use. ENERGY: 229400 705.8209 2101.8430 1957.6439 119.5725 -206304.7542 17984.0258 0.0000 0.0000 34457.3029 -148978.5451 300.9242 -183435.8480 -148884.7084 300.1169 116.6785 149.0771 557062.6428 -4.0368 -3.9975 PRESSURE: 229600 262.391 32.6593 70.6024 32.6593 146.858 117.265 70.6025 117.265 250.43 GPRESSURE: 229600 298.373 110.519 46.7886 -13.1371 188.562 140.421 61.8905 68.4417 255.772 PRESSAVG: 229600 22.3446 2.25014 40.5437 2.25011 -68.153 -32.8519 40.5436 -32.8519 45.8838 GPRESSAVG: 229600 22.2448 0.169567 38.4921 4.65639 -68.3012 -34.7947 42.2126 -32.4259 46.4068 TIMING: 229600 CPU: 678.967, 0.0030009/step Wall: 678.967, 0.0030009/step, 3.97653 hours remaining, 204.601562 MB of memory in use. ENERGY: 229600 757.1404 2101.1925 1955.5472 103.3995 -206570.6098 18230.6592 0.0000 0.0000 34327.5024 -149095.1686 299.7906 -183422.6709 -148999.2566 300.4957 219.8935 247.5688 556181.2663 0.0251 0.1168 PRESSURE: 229800 181.001 208.242 -52.5724 208.241 241.092 7.9162 -52.5728 7.91627 -210.89 GPRESSURE: 229800 158.637 241.161 -23.0478 167.094 271.691 2.79289 -46.7358 1.13657 -107.306 PRESSAVG: 229800 13.8518 37.3229 1.47497 37.3228 8.81783 12.809 1.47494 12.8091 -15.0082 GPRESSAVG: 229800 13.5318 38.6268 2.59143 37.0074 8.36388 13.4814 -2.52232 12.7932 -14.2863 TIMING: 229800 CPU: 679.563, 0.00297869/step Wall: 679.563, 0.00297869/step, 3.94693 hours remaining, 204.601562 MB of memory in use. ENERGY: 229800 734.4631 2081.1442 1970.8651 116.5917 -206277.0244 17881.3053 0.0000 0.0000 34428.1710 -149064.4841 300.6698 -183492.6551 -148966.7898 299.5988 70.4011 107.6743 556816.2203 2.5538 2.5365 PRESSURE: 230000 95.5856 149.262 -95.306 149.262 -19.2125 -81.2739 -95.3076 -81.2746 159.624 GPRESSURE: 230000 124.844 106.068 -115.197 184.802 15.0009 -166.701 -136.516 -93.5636 185.617 PRESSAVG: 230000 -0.735485 -4.57851 -37.3371 -4.57849 46.5568 -6.89303 -37.3372 -6.89286 -5.72267 GPRESSAVG: 230000 -0.927777 -4.3004 -37.6795 -3.81811 47.2412 -5.07576 -34.4498 -7.68672 -5.82948 TIMING: 230000 CPU: 680.155, 0.00296117/step Wall: 680.155, 0.00296117/step, 3.92355 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: 230000 738.0220 2120.1009 1967.9603 105.0274 -206517.4587 18161.5882 0.0000 0.0000 34324.9680 -149099.7918 299.7685 -183424.7599 -148999.8056 299.6648 78.6658 108.4875 558658.3193 13.3662 13.4946 PRESSURE: 230200 133.008 103.511 -178.787 103.512 -8.62138 144.308 -178.788 144.308 153.124 GPRESSURE: 230200 229.922 138.504 -154.839 126.482 -42.5108 112.91 -182.927 153.555 189.708 PRESSAVG: 230200 -23.3362 62.4502 -24.1638 62.4502 10.3539 -1.50336 -24.1638 -1.5034 -14.9582 GPRESSAVG: 230200 -22.5655 63.0415 -23.7571 60.6214 9.66122 -2.35588 -26.3246 -0.55081 -16.041 TIMING: 230200 CPU: 680.748, 0.00296475/step Wall: 680.748, 0.00296475/step, 3.92813 hours remaining, 204.601562 MB of memory in use. ENERGY: 230200 740.9519 2170.1758 1931.7785 122.8339 -206258.3126 18045.3066 0.0000 0.0000 34199.0562 -149048.2098 298.6689 -183247.2660 -148954.3849 299.5908 92.5036 125.7066 557737.2515 -9.3135 -9.6484 PRESSURE: 230400 118.996 -28.3214 -53.1411 -28.321 30.4613 24.8673 -53.1403 24.8646 87.7414 GPRESSURE: 230400 153.874 37.6703 -107.942 -61.8994 18.7639 70.7226 3.58171 0.737322 164.973 PRESSAVG: 230400 39.8217 29.9843 -42.4266 29.9843 23.5627 -9.14374 -42.4266 -9.14371 -13.221 GPRESSAVG: 230400 39.5894 28.7654 -42.1851 30.9125 22.3546 -9.67112 -42.6734 -11.4645 -12.5766 TIMING: 230400 CPU: 681.338, 0.00294804/step Wall: 681.338, 0.00294804/step, 3.90583 hours remaining, 204.601562 MB of memory in use. ENERGY: 230400 741.7565 2111.6336 1944.4849 129.9737 -206599.1313 18139.1004 0.0000 0.0000 34344.3917 -149187.7905 299.9381 -183532.1822 -149085.3473 299.6449 79.0661 112.5371 558613.8754 16.7211 16.4558 PRESSURE: 230600 -207.881 74.8326 -178.836 74.833 -219.469 141.278 -178.837 141.279 -325.694 GPRESSURE: 230600 -177.981 24.0926 -118.882 103.411 -191.641 91.6223 -185.505 111.639 -275.721 PRESSAVG: 230600 18.6841 -6.51722 -47.1551 -6.51725 47.8554 43.7339 -47.1551 43.734 -37.5976 GPRESSAVG: 230600 18.6725 -6.78446 -47.4789 -6.51666 48.5442 44.9585 -47.0087 43.3786 -38.4632 TIMING: 230600 CPU: 681.928, 0.00295248/step Wall: 681.928, 0.00295248/step, 3.91155 hours remaining, 204.601562 MB of memory in use. ENERGY: 230600 741.4562 2094.9244 1961.0098 131.8862 -205902.8556 17575.5019 0.0000 0.0000 34077.7242 -149320.3529 297.6092 -183398.0771 -149225.4550 298.7954 -251.0148 -215.1142 559658.6480 9.6473 9.5845 PRESSURE: 230800 -130.992 -196.286 -197.564 -196.285 193.552 -62.0339 -197.562 -62.0325 -107.753 GPRESSURE: 230800 -45.8364 -189.59 -179.419 -158.611 179.778 7.83883 -161.657 -80.4777 -89.0905 PRESSAVG: 230800 -66.8237 15.3972 -11.3656 15.3972 27.2305 5.66898 -11.3655 5.66884 -9.06847 GPRESSAVG: 230800 -68.0476 16.0259 -13.0014 16.6676 27.841 4.86716 -9.58548 6.59786 -8.22628 TIMING: 230800 CPU: 682.518, 0.00294617/step Wall: 682.518, 0.00294617/step, 3.90302 hours remaining, 204.601562 MB of memory in use. ENERGY: 230800 718.2985 2075.1403 1952.0122 121.3613 -206404.2803 17968.0424 0.0000 0.0000 34252.6822 -149316.7433 299.1372 -183569.4255 -149214.8683 298.7313 -15.0641 14.9505 557766.7447 -16.2206 -16.1443 PRESSURE: 231000 22.6154 98.4315 -24.214 98.4323 -120.201 162.553 -24.2138 162.555 48.1748 GPRESSURE: 231000 55.915 70.4938 20.5054 81.7278 -89.4569 215.92 -35.0175 172.049 84.6081 PRESSAVG: 231000 -6.60482 12.2683 -23.4399 12.2683 23.6111 12.5185 -23.4399 12.5184 -33.9271 GPRESSAVG: 231000 -7.30879 10.7163 -19.7173 12.5233 24.023 12.7424 -24.3981 12.2671 -33.9266 TIMING: 231000 CPU: 683.111, 0.00296624/step Wall: 683.111, 0.00296624/step, 3.92945 hours remaining, 204.601562 MB of memory in use. ENERGY: 231000 749.2613 2050.5944 1970.5214 125.1076 -206370.9046 17925.9474 0.0000 0.0000 34204.8465 -149344.6259 298.7194 -183549.4725 -149254.6604 298.5781 -16.4703 17.0220 558598.3123 -5.6403 -5.7375 PRESSURE: 231200 116.931 123.613 -120.446 123.614 -77.6119 64.1785 -120.447 64.1773 -151.988 GPRESSURE: 231200 182.184 154.568 -108.888 179 -104.328 72.7788 -190.599 -4.41728 -90.599 PRESSAVG: 231200 40.9314 5.79438 -12.1299 5.7944 -69.3869 67.8863 -12.1299 67.8862 -16.9608 GPRESSAVG: 231200 40.9614 6.42346 -13.3527 5.41415 -70.4344 67.1299 -12.6611 68.9133 -16.2037 TIMING: 231200 CPU: 683.704, 0.00296492/step Wall: 683.704, 0.00296492/step, 3.92753 hours remaining, 204.601562 MB of memory in use. ENERGY: 231200 785.0063 2066.5566 1973.5495 113.0482 -206294.7378 17918.8303 0.0000 0.0000 34151.9926 -149285.7543 298.2578 -183437.7469 -149187.2410 298.6087 -37.5563 -4.2478 559407.2390 -15.1388 -15.2255 PRESSURE: 231400 -31.6183 -57.1442 116.747 -57.1438 -3.17724 -122.797 116.747 -122.797 57.804 GPRESSURE: 231400 -29.079 -27.933 177.871 -19.8537 43.0923 -91.0024 148.791 -95.8861 108.19 PRESSAVG: 231400 33.9928 8.74819 -25.2211 8.74817 -52.2507 -7.8355 -25.2211 -7.83547 34.7303 GPRESSAVG: 231400 34.5774 8.55976 -25.3224 9.87399 -52.2558 -7.86736 -24.6157 -8.39839 34.7269 TIMING: 231400 CPU: 684.302, 0.00299213/step Wall: 684.302, 0.00299213/step, 3.96341 hours remaining, 204.601562 MB of memory in use. ENERGY: 231400 708.7553 2088.1434 1939.0417 113.0919 -206007.1076 17888.8733 0.0000 0.0000 33917.7112 -149351.4908 296.2118 -183269.2021 -149257.1669 298.4020 7.6695 40.7346 560886.0700 5.4908 5.6829 PRESSURE: 231600 -136.445 6.07196 -18.0895 6.0715 -341.977 29.0668 -18.0881 29.0677 64.4618 GPRESSURE: 231600 -97.5405 -14.879 -75.6015 -19.5709 -257.767 40.8654 12.5631 31.6576 42.8439 PRESSAVG: 231600 -45.183 30.1468 -20.5103 30.1468 -20.5295 22.3711 -20.5104 22.3711 50.0755 GPRESSAVG: 231600 -45.1318 31.3251 -20.5547 27.8667 -20.3881 23.6522 -20.68 21.0903 49.8841 TIMING: 231600 CPU: 684.9, 0.00298594/step Wall: 684.9, 0.00298594/step, 3.95505 hours remaining, 204.601562 MB of memory in use. ENERGY: 231600 720.8195 2095.5878 1921.5815 105.8899 -205986.5722 17728.6898 0.0000 0.0000 34105.9711 -149308.0325 297.8559 -183414.0036 -149206.7791 298.3431 -137.9867 -104.1545 559963.2919 -5.2123 -5.2119 PRESSURE: 231800 68.7478 -67.9055 -1.55207 -67.906 78.1203 -113.219 -1.55097 -113.22 -11.85 GPRESSURE: 231800 161.903 -45.5147 5.81688 -25.606 48.4662 -77.7256 -3.57698 -45.0242 15.1074 PRESSAVG: 231800 33.7141 5.81679 -38.9192 5.81684 -33.0273 62.7437 -38.9193 62.7436 10.5072 GPRESSAVG: 231800 33.9341 5.93617 -38.1771 4.8558 -33.152 62.1156 -40.7108 66.8341 10.4872 TIMING: 231800 CPU: 685.493, 0.0029659/step Wall: 685.493, 0.0029659/step, 3.92833 hours remaining, 204.601562 MB of memory in use. ENERGY: 231800 736.9361 2066.7029 1924.3806 112.5151 -206257.2594 17939.4148 0.0000 0.0000 34162.0041 -149315.3058 298.3453 -183477.3099 -149215.7878 298.4215 45.0060 75.1589 558840.1056 3.7313 3.7565 PRESSURE: 232000 90.3708 -62.294 -140.134 -62.2939 -1.79307 -27.4551 -140.133 -27.4548 -5.48806 GPRESSURE: 232000 101.167 -23.8693 -182.033 7.03475 20.6778 -44.1282 -78.0057 59.7762 65.2734 PRESSAVG: 232000 -32.2035 1.09096 -16.9318 1.09096 -9.66837 32.3713 -16.9319 32.3714 -2.26109 GPRESSAVG: 232000 -32.7788 0.109558 -18.5651 3.23112 -9.5981 30.8975 -16.0526 30.033 -1.98388 TIMING: 232000 CPU: 686.087, 0.00297267/step Wall: 686.087, 0.00297267/step, 3.93714 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: 232000 796.9471 2066.6299 1969.9550 111.0050 -206225.6759 17847.8806 0.0000 0.0000 34234.8019 -149198.4564 298.9810 -183433.2582 -149098.9523 299.2571 27.6966 62.3729 557692.4868 -14.7110 -14.7869 PRESSURE: 232200 -108.342 -24.6245 108.935 -24.624 -139.449 22.2206 108.935 22.2197 -177.86 GPRESSURE: 232200 -43.5811 36.2545 38.1021 14.1832 -105.269 131.163 71.3795 -13.6129 -175.117 PRESSAVG: 232200 13.3522 -55.6546 -26.1988 -55.6546 11.9738 12.246 -26.1989 12.246 5.48431 GPRESSAVG: 232200 13.3785 -54.1978 -25.386 -55.8156 12.5202 14.5684 -26.191 11.8041 4.86902 TIMING: 232200 CPU: 686.679, 0.00295814/step Wall: 686.679, 0.00295814/step, 3.91773 hours remaining, 204.601562 MB of memory in use. ENERGY: 232200 745.8159 2073.2515 1951.0832 110.0175 -205982.0617 17650.4629 0.0000 0.0000 34434.1352 -149017.2956 300.7219 -183451.4307 -148914.8763 299.8605 -141.8836 -107.9891 557914.6973 10.2701 10.2559 LDB: ============= START OF LOAD BALANCING ============== 690.104 LDB: ============== END OF LOAD BALANCING =============== 690.104 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 690.106 LDB: ============= START OF LOAD BALANCING ============== 690.401 LDB: Largest compute 4848 load 0.029637 is 25.2% of average load 0.117791 LDB: Average compute 0.001738 is 1.5% of average load 0.117791 LDB: TIME 690.404 LOAD: AVG 0.117791 MAX 0.19754 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.582 MB LDB: TIME 690.404 LOAD: AVG 0.117791 MAX 0.19754 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.582 MB LDB: TIME 690.404 LOAD: AVG 0.117791 MAX 0.19754 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 690.406 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 690.41 PRESSURE: 232400 230.162 -74.3773 34.211 -74.3776 -74.3079 39.9894 34.2105 39.9897 -134.81 GPRESSURE: 232400 244.23 -80.8632 110.746 -55.2065 -47.0541 60.621 -65.0344 7.16901 -70.4174 PRESSAVG: 232400 44.3138 4.55598 -54.5593 4.55608 -27.0492 -37.8579 -54.5593 -37.8578 -19.1667 GPRESSAVG: 232400 44.9859 6.13689 -54.7071 1.6918 -27.1165 -37.7592 -53.9727 -39.575 -19.9578 TIMING: 232400 CPU: 687.28, 0.00300621/step Wall: 687.28, 0.00300621/step, 3.98122 hours remaining, 204.214844 MB of memory in use. ENERGY: 232400 730.1635 2097.5254 1944.6365 105.6045 -206127.0243 17838.1114 0.0000 0.0000 34094.5493 -149316.4336 297.7562 -183410.9830 -149215.6208 300.1309 7.0148 42.2529 558959.3423 -0.6340 -0.6961 PRESSURE: 232600 3.9014 -24.4983 -2.63046 -24.4996 31.6154 1.7744 -2.62993 1.7719 235.563 GPRESSURE: 232600 78.9564 -43.1047 -23.5076 -42.0778 28.6198 18.3072 -71.5505 11.2719 254.102 PRESSAVG: 232600 -35.065 -23.5338 18.8481 -23.5337 29.9006 29.7421 18.848 29.7422 -1.21292 GPRESSAVG: 232600 -35.5876 -26.948 20.2937 -21.1901 29.0584 27.2777 18.3104 31.5506 -0.840621 TIMING: 232600 CPU: 687.875, 0.00297295/step Wall: 687.875, 0.00297295/step, 3.93702 hours remaining, 204.671875 MB of memory in use. ENERGY: 232600 732.1274 2057.4721 1923.1578 105.3642 -206385.7054 17964.1556 0.0000 0.0000 34144.7617 -149458.6666 298.1947 -183603.4283 -149366.4062 298.5386 90.3599 120.5596 556524.9419 -2.1258 -2.4566 PRESSURE: 232800 -144.774 -109.059 19.0025 -109.059 -230.04 23.2931 19.0023 23.2942 -185.782 GPRESSURE: 232800 -123.728 -121.066 3.60352 -49.6357 -166.712 24.9551 45.0143 -6.73546 -166.34 PRESSAVG: 232800 -30.4274 -33.7758 35.5733 -33.7758 18.5894 7.67523 35.5733 7.67519 8.21055 GPRESSAVG: 232800 -29.5807 -33.9441 34.5841 -33.4186 18.5539 8.89578 34.7401 6.542 7.34404 TIMING: 232800 CPU: 688.468, 0.00296427/step Wall: 688.468, 0.00296427/step, 3.92535 hours remaining, 204.671875 MB of memory in use. ENERGY: 232800 781.4589 2123.9011 1940.8603 109.6826 -205936.6292 17515.6001 0.0000 0.0000 34223.1988 -149241.9275 298.8797 -183465.1262 -149152.0663 298.9416 -186.8653 -152.2597 556451.2042 -1.2092 -1.2276 PRESSURE: 233000 -253.251 115.874 31.0128 115.873 148.237 -200.717 31.013 -200.718 151.795 GPRESSURE: 233000 -272.662 68.2717 17.7561 103.28 231.113 -172.878 44.4237 -138.824 188.242 PRESSAVG: 233000 3.87728 19.2763 2.47688 19.2764 -7.72352 -43.9911 2.47694 -43.9911 -1.7192 GPRESSAVG: 233000 3.54202 21.2943 0.468732 17.0251 -8.413 -44.7172 5.25354 -41.6988 -0.64714 TIMING: 233000 CPU: 689.06, 0.00296373/step Wall: 689.06, 0.00296373/step, 3.92447 hours remaining, 204.671875 MB of memory in use. ENERGY: 233000 759.1642 2078.6343 1935.9063 110.1311 -206570.8232 17988.1055 0.0000 0.0000 34357.9253 -149340.9565 300.0563 -183698.8818 -149238.4250 299.2973 15.5936 48.8975 557330.0989 -1.8551 -1.8394 PRESSURE: 233200 -70.0947 42.5901 -30.0051 42.5907 -182.181 -151.14 -30.0044 -151.139 -233.768 GPRESSURE: 233200 -50.5288 51.0604 -111.828 110.534 -133.635 -106.363 -57.7231 -137.269 -208.945 PRESSAVG: 233200 15.8292 -17.8176 -19.5761 -17.8176 -34.3511 -52.5877 -19.5761 -52.5878 -7.83793 GPRESSAVG: 233200 14.8187 -17.9766 -18.2454 -14.958 -33.5023 -50.5613 -22.2493 -53.3991 -8.09516 TIMING: 233200 CPU: 689.657, 0.00298259/step Wall: 689.657, 0.00298259/step, 3.94928 hours remaining, 204.671875 MB of memory in use. ENERGY: 233200 719.5973 2103.8086 1957.7836 111.0015 -205788.1691 17512.9621 0.0000 0.0000 34421.3068 -148961.7091 300.6098 -183383.0159 -148882.3578 298.7788 -162.0146 -131.0362 558374.8544 -8.7866 -8.9262 PRESSURE: 233400 -121.05 -23.594 -115.093 -23.5955 60.133 -12.5552 -115.093 -12.5557 -58.0042 GPRESSURE: 233400 -54.2081 -73.9369 -125.116 25.2837 81.6475 -2.98241 -79.9663 2.35106 -45.7546 PRESSAVG: 233400 -30.766 41.0402 -32.4282 41.0401 -39.5165 -70.4963 -32.4281 -70.4964 67.6929 GPRESSAVG: 233400 -30.4476 42.3051 -32.2756 39.555 -39.945 -72.7431 -30.9635 -70.3602 67.9284 TIMING: 233400 CPU: 690.25, 0.00296356/step Wall: 690.25, 0.00296355/step, 3.92391 hours remaining, 204.671875 MB of memory in use. ENERGY: 233400 755.0699 2104.8497 1956.2601 104.4278 -205865.4154 17753.3226 0.0000 0.0000 34171.0038 -149020.4815 298.4239 -183191.4853 -148917.4741 299.7076 -39.6406 -6.1051 559381.1885 -0.8632 -0.8214 PRESSURE: 233600 -207.993 -151.901 -73.2125 -151.902 20.2905 -23.1609 -73.2122 -23.1611 48.1588 GPRESSURE: 233600 -173.943 -96.8652 -97.316 -109.87 83.941 -122.5 -75.9536 14.2093 53.7403 PRESSAVG: 233600 20.1834 -11.8036 -73.8536 -11.8035 -25.7795 1.01599 -73.8536 1.01597 34.2336 GPRESSAVG: 233600 20.2625 -13.8254 -72.2555 -11.4302 -26.5999 1.82774 -74.9821 1.5956 35.0909 TIMING: 233600 CPU: 690.846, 0.00298169/step Wall: 690.846, 0.00298169/step, 3.94775 hours remaining, 204.671875 MB of memory in use. ENERGY: 233600 761.1352 2068.1585 1953.5909 127.7973 -206212.2255 17826.0748 0.0000 0.0000 34369.1131 -149106.3555 300.1540 -183475.4687 -149012.4850 298.9458 -46.5144 -12.0872 557905.9468 9.5458 9.5845 PRESSURE: 233800 -108.18 99.2093 -21.2454 99.2092 -58.0957 -55.2167 -21.2447 -55.2151 -106.913 GPRESSURE: 233800 -69.7946 193.268 -19.2841 28.7001 -34.3711 -71.219 -60.7327 -54.6883 -67.2952 PRESSAVG: 233800 -1.22143 40.3207 3.00482 40.3208 -38.8918 -19.0121 3.00475 -19.0122 35.044 GPRESSAVG: 233800 -1.98745 42.2491 2.19409 39.3592 -39.513 -19.3116 5.34565 -19.1575 36.6652 TIMING: 233800 CPU: 691.435, 0.00294738/step Wall: 691.435, 0.00294738/step, 3.90217 hours remaining, 204.671875 MB of memory in use. ENERGY: 233800 750.8128 2097.1224 1959.1768 105.9218 -205863.5205 17571.2476 0.0000 0.0000 34243.9063 -149135.3328 299.0606 -183379.2391 -149039.7273 299.2910 -91.0627 -57.1536 556667.2221 -1.6898 -1.6117 PRESSURE: 234000 -154.47 84.3759 63.1889 84.3741 61.2242 -204.36 63.1881 -204.359 -185.282 GPRESSURE: 234000 -161.62 88.3911 102.22 56.8843 77.9496 -176.877 106.28 -254.901 -102.651 PRESSAVG: 234000 12.7396 10.2219 -5.09476 10.2219 19.2465 -10.5368 -5.09478 -10.5368 -21.6609 GPRESSAVG: 234000 13.1746 8.71739 -5.04946 9.81935 19.9556 -10.0774 -4.58943 -9.9657 -23.5075 TIMING: 234000 CPU: 692.026, 0.0029515/step Wall: 692.026, 0.0029515/step, 3.90745 hours remaining, 204.777344 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: 234000 741.5048 2096.6894 1960.5810 111.5525 -205936.7330 17540.5593 0.0000 0.0000 34356.5416 -149129.3043 300.0442 -183485.8460 -149026.0864 299.4963 -92.8426 -62.1074 557202.8707 3.4417 3.2076 PRESSURE: 234200 -153.866 29.5924 14.624 29.5918 -48.3019 90.9153 14.624 90.9148 -30.8778 GPRESSURE: 234200 -157.77 6.90519 27.5702 51.0795 35.1457 32.9546 47.6989 79.1756 -11.3847 PRESSAVG: 234200 -20.641 26.4431 41.6257 26.443 79.5172 -52.8116 41.6256 -52.8116 -65.6963 GPRESSAVG: 234200 -20.9473 25.5478 41.8149 26.8972 81.4678 -52.6977 39.9211 -54.41 -67.1278 TIMING: 234200 CPU: 692.619, 0.00296462/step Wall: 692.619, 0.00296462/step, 3.92467 hours remaining, 204.777344 MB of memory in use. ENERGY: 234200 740.5300 2150.5892 1927.9943 112.0648 -206083.9303 17591.5016 0.0000 0.0000 34223.9922 -149337.2582 298.8866 -183561.2504 -149240.5564 299.4552 -77.6820 -44.6697 557082.9980 -2.2734 -2.2024 PRESSURE: 234400 -43.9025 -122.32 242.728 -122.32 149.83 80.0006 242.728 80.0001 -49.279 GPRESSURE: 234400 13.2217 -107.962 257.108 -117.603 177.414 117.318 152.275 41.272 -41.0422 PRESSAVG: 234400 -32.2213 -13.8302 55.4217 -13.8303 125.105 -3.86642 55.4217 -3.86652 -32.9286 GPRESSAVG: 234400 -31.9486 -11.6554 54.8785 -15.1441 124.062 -4.61557 55.2133 -1.36264 -31.812 TIMING: 234400 CPU: 693.213, 0.00297249/step Wall: 693.213, 0.00297249/step, 3.93491 hours remaining, 204.777344 MB of memory in use. ENERGY: 234400 771.9966 2065.8724 1906.2102 126.2602 -206215.9390 17824.5573 0.0000 0.0000 34270.5219 -149250.5205 299.2930 -183521.0424 -149158.0171 299.0829 18.8828 49.8643 556331.5101 19.9851 20.1003 PRESSURE: 234600 -360.597 143.937 75.3897 143.936 -319.528 21.5837 75.3881 21.5838 -415.369 GPRESSURE: 234600 -281.067 200.87 60.8556 107.715 -296.332 86.6432 51.6342 122.307 -426.926 PRESSAVG: 234600 40.0532 -7.66222 9.75786 -7.66232 -40.725 11.9827 9.75781 11.9828 2.47286 GPRESSAVG: 234600 39.9879 -5.97617 7.13182 -7.69811 -41.4296 13.4919 11.1508 9.88109 3.48107 TIMING: 234600 CPU: 693.807, 0.00296735/step Wall: 693.807, 0.00296735/step, 3.92794 hours remaining, 204.777344 MB of memory in use. ENERGY: 234600 756.0388 2068.1625 1949.7524 104.4627 -206079.0917 17517.9916 0.0000 0.0000 34391.6471 -149291.0366 300.3508 -183682.6837 -149194.6183 298.8986 -365.1646 -334.7749 559880.8030 0.6003 0.6798 PRESSURE: 234800 160.954 141.462 -29.0633 141.461 74.8829 -36.4535 -29.0636 -36.4539 -16.2737 GPRESSURE: 234800 158.311 66.0999 -52.1797 153.694 98.6312 -12.4049 71.8917 -67.3236 67.3541 PRESSAVG: 234800 11.4307 -7.71611 -29.5573 -7.71608 -24.5414 -17.789 -29.5573 -17.7891 -1.19636 GPRESSAVG: 234800 11.1256 -9.9851 -29.053 -6.5183 -23.8176 -18.2284 -27.5378 -17.2931 -1.56547 TIMING: 234800 CPU: 694.4, 0.00296827/step Wall: 694.4, 0.00296827/step, 3.92901 hours remaining, 204.777344 MB of memory in use. ENERGY: 234800 735.9687 2086.9446 1913.4478 105.6278 -206341.5647 18009.7869 0.0000 0.0000 34162.2735 -149327.5154 298.3476 -183489.7889 -149235.5186 298.6074 73.1878 108.0986 558577.4938 -4.7690 -4.7525 PRESSURE: 235000 -115.285 20.0012 -61.847 20.0016 -125.266 110.363 -61.8473 110.363 147.508 GPRESSURE: 235000 -106.773 35.0945 -86.4362 5.68193 -64.2098 160.266 -86.5509 93.3782 169.196 PRESSAVG: 235000 -32.0737 -64.6459 -75.4142 -64.6458 -38.2895 29.0287 -75.4142 29.0287 71.8812 GPRESSAVG: 235000 -32.4918 -63.2207 -75.5892 -65.7185 -38.091 27.936 -75.8174 29.7593 72.5004 TIMING: 235000 CPU: 694.998, 0.00298728/step Wall: 694.998, 0.00298728/step, 3.954 hours remaining, 204.777344 MB of memory in use. ENERGY: 235000 732.6138 2144.0578 1966.0136 123.6816 -206610.1785 18029.4709 0.0000 0.0000 34278.6474 -149335.6934 299.3640 -183614.3408 -149242.2958 299.0038 -31.0144 -0.5955 559032.8768 0.5060 0.6392 PRESSURE: 235200 -165.422 -86.0134 -3.37777 -86.0137 -68.2634 -144.655 -3.3771 -144.654 264.023 GPRESSURE: 235200 -99.0617 -61.04 -40.0788 -127.787 43.0651 -142.485 -51.9891 -180.49 176.155 PRESSAVG: 235200 -10.646 -44.6197 -30.1551 -44.6197 21.5054 -54.0335 -30.1552 -54.0334 -22.9505 GPRESSAVG: 235200 -9.70213 -47.3667 -26.0534 -43.4347 21.9144 -53.0677 -32.3561 -53.2275 -24.3968 TIMING: 235200 CPU: 695.594, 0.00298298/step Wall: 695.594, 0.00298298/step, 3.94814 hours remaining, 204.777344 MB of memory in use. ENERGY: 235200 767.7664 2088.7532 1970.3549 122.4174 -206658.4457 17983.6998 0.0000 0.0000 34224.6607 -149500.7934 298.8925 -183725.4541 -149405.2409 298.8709 10.1126 40.0526 557839.6875 -4.0304 -4.0615 PRESSURE: 235400 -448.726 -162.734 -67.3315 -162.734 -244.979 -145.33 -67.332 -145.332 -187.314 GPRESSURE: 235400 -415.435 -187.041 -156.869 -129.583 -225.383 -93.5267 23.744 -170.176 -136.728 PRESSAVG: 235400 -37.6632 -82.2661 -37.5793 -82.266 47.1235 4.35197 -37.5792 4.35209 6.03339 GPRESSAVG: 235400 -38.2629 -82.7736 -38.567 -81.7013 46.553 4.3679 -36.642 3.69314 6.94142 TIMING: 235400 CPU: 696.192, 0.00298706/step Wall: 696.192, 0.00298706/step, 3.95338 hours remaining, 204.777344 MB of memory in use. ENERGY: 235400 803.3413 2073.3527 1968.4057 114.5536 -206030.5645 17477.1879 0.0000 0.0000 34262.3685 -149331.3548 299.2218 -183593.7233 -149240.7641 298.0265 -293.6730 -259.1822 558779.9162 5.1646 5.0772 PRESSURE: 235600 85.9241 -28.6914 -168.252 -28.6922 -50.3795 -22.3442 -168.252 -22.345 -2.62154 GPRESSURE: 235600 107.444 -4.19243 5.94558 -5.59717 5.47247 49.6451 -205.795 -38.8557 7.36495 PRESSAVG: 235600 23.2514 -41.7343 -87.1004 -41.7343 -9.62784 24.0604 -87.1005 24.0605 -55.7806 GPRESSAVG: 235600 23.1885 -42.7048 -87.2541 -40.6358 -11.0936 24.0739 -86.9784 24.2517 -54.9765 TIMING: 235600 CPU: 696.78, 0.00294231/step Wall: 696.78, 0.00294231/step, 3.89398 hours remaining, 204.777344 MB of memory in use. ENERGY: 235600 767.4990 2097.8028 1933.7659 124.0745 -206184.7603 17792.4348 0.0000 0.0000 34186.6681 -149282.5151 298.5607 -183469.1832 -149181.6476 297.7719 10.9744 40.0937 557383.8045 -14.0523 -14.2939 PRESSURE: 235800 -57.9545 40.805 -117.101 40.8053 82.9747 146.169 -117.101 146.168 55.7475 GPRESSURE: 235800 3.03598 84.3391 -137.755 -10.1783 36.6377 84.811 -46.6179 158.396 125.147 PRESSAVG: 235800 -21.7785 19.355 -35.0554 19.3549 66.0305 13.4182 -35.0554 13.4182 -10.5169 GPRESSAVG: 235800 -22.7162 20.3351 -35.35 18.7301 67.4644 14.9724 -34.31 11.394 -10.734 TIMING: 235800 CPU: 697.371, 0.0029542/step Wall: 697.371, 0.0029542/step, 3.90956 hours remaining, 204.777344 MB of memory in use. ENERGY: 235800 762.3987 2091.0409 1928.6401 120.9683 -206391.9704 17880.4385 0.0000 0.0000 34201.3410 -149407.1429 298.6888 -183608.4838 -149308.3373 298.6666 26.9226 54.9404 555899.9322 11.2450 11.3381 PRESSURE: 236000 -74.4494 -60.9791 -101.926 -60.9787 -11.643 -70.7437 -101.926 -70.7438 90.1542 GPRESSURE: 236000 -102.23 -48.0924 -38.7398 -25.0852 32.9793 -67.2621 24.658 -95.6189 165.011 PRESSAVG: 236000 -32.3902 -28.0016 18.6795 -28.0018 -23.5771 40.625 18.6795 40.625 53.1608 GPRESSAVG: 236000 -31.7504 -25.3029 17.7571 -28.5628 -24.7049 39.3433 18.1648 43.3773 53.3607 TIMING: 236000 CPU: 697.958, 0.00293659/step Wall: 697.958, 0.00293659/step, 3.88609 hours remaining, 204.777344 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: 236000 695.1681 2146.4226 1942.2299 109.6753 -206555.7075 17810.7472 0.0000 0.0000 34243.7113 -149607.7531 299.0588 -183851.4645 -149507.1814 298.7871 1.3539 31.9202 556431.5927 -0.9355 -1.0315 PRESSURE: 236200 -54.3097 -85.1063 35.2199 -85.1076 90.6525 56.2337 35.2194 56.2329 86.2269 GPRESSURE: 236200 40.9802 -102.542 96.8983 -38.9659 75.1746 70.4386 -30.3994 2.77907 99.7825 PRESSAVG: 236200 26.4067 38.8125 -10.7745 38.8125 -90.5071 29.3363 -10.7745 29.3363 76.2886 GPRESSAVG: 236200 26.2562 39.4631 -10.0002 39.697 -89.5909 29.9871 -10.9996 29.3845 75.5236 TIMING: 236200 CPU: 698.55, 0.00295669/step Wall: 698.55, 0.00295669/step, 3.91253 hours remaining, 204.777344 MB of memory in use. ENERGY: 236200 737.0057 2114.8437 1940.2438 111.1614 -206721.0247 17941.1788 0.0000 0.0000 34024.4476 -149852.1437 297.1440 -183876.5913 -149753.1766 298.0824 40.8566 71.9791 556955.4914 4.0627 4.0630 LDB: ============= START OF LOAD BALANCING ============== 701.977 LDB: ============== END OF LOAD BALANCING =============== 701.977 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 701.978 LDB: ============= START OF LOAD BALANCING ============== 702.275 LDB: Largest compute 4848 load 0.030710 is 26.1% of average load 0.117791 LDB: Average compute 0.001737 is 1.5% of average load 0.117791 LDB: TIME 702.278 LOAD: AVG 0.117791 MAX 0.197204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.371 MB LDB: TIME 702.278 LOAD: AVG 0.117791 MAX 0.197204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.57 MB LDB: TIME 702.278 LOAD: AVG 0.117791 MAX 0.197204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 702.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 702.284 PRESSURE: 236400 58.1479 -28.8926 171.874 -28.8921 -277.408 114.004 171.873 114.006 57.5038 GPRESSURE: 236400 127.625 41.6115 175.547 -12.9291 -261.15 -4.084 122.24 146.132 67.0799 PRESSAVG: 236400 11.803 -21.4684 6.43505 -21.4685 -6.35227 18.4012 6.43518 18.4011 44.7325 GPRESSAVG: 236400 12.0359 -21.312 5.52808 -23.2918 -6.08971 16.4639 5.93696 18.657 44.4682 TIMING: 236400 CPU: 699.154, 0.00302308/step Wall: 699.154, 0.00302308/step, 4.0002 hours remaining, 203.429688 MB of memory in use. ENERGY: 236400 759.9188 2063.0421 1921.7267 112.3738 -206766.7649 17932.9501 0.0000 0.0000 34199.9126 -149776.8408 298.6763 -183976.7534 -149679.1252 297.7568 -53.9188 -22.1485 558130.9415 16.7277 16.8048 PRESSURE: 236600 -221.288 -91.0035 -43.2849 -91.0033 -106.823 -30.613 -43.2841 -30.6131 -180.876 GPRESSURE: 236600 -164.358 -79.0974 -63.7785 -93.4768 -86.4881 24.5819 2.28282 -16.0404 -169.728 PRESSAVG: 236600 -73.279 -47.0409 -27.8156 -47.0409 -36.2329 -0.418354 -27.8156 -0.418345 105.344 GPRESSAVG: 236600 -73.3086 -48.1835 -27.8002 -47.1169 -36.5851 0.208465 -25.9624 -2.74447 105.747 TIMING: 236600 CPU: 699.748, 0.00296874/step Wall: 699.748, 0.00296874/step, 3.92814 hours remaining, 203.429688 MB of memory in use. ENERGY: 236600 750.2767 2088.3040 1970.0951 120.9534 -206142.8888 17550.6363 0.0000 0.0000 34039.9635 -149622.6599 297.2795 -183662.6234 -149522.9280 297.7737 -169.6624 -140.1914 558738.8367 -1.3891 -1.3821 PRESSURE: 236800 -120.007 -37.2402 13.061 -37.2401 -276.206 24.4187 13.0611 24.4207 14.8129 GPRESSURE: 236800 -78.9944 -83.3068 -23.3543 -124.441 -216.369 44.5036 -62.5444 33.8645 8.00195 PRESSAVG: 236800 11.0015 45.7854 -6.65921 45.7855 -9.90807 -7.27266 -6.65922 -7.27271 15.3918 GPRESSAVG: 236800 10.5087 44.6875 -9.26669 44.8584 -10.5467 -6.27875 -7.92348 -6.43293 16.0947 TIMING: 236800 CPU: 700.344, 0.00297795/step Wall: 700.344, 0.00297795/step, 3.94015 hours remaining, 203.429688 MB of memory in use. ENERGY: 236800 762.9950 2086.3142 1941.9443 106.1522 -205862.5651 17549.9433 0.0000 0.0000 33898.9515 -149516.2645 296.0480 -183415.2160 -149425.4418 298.1073 -127.1334 -95.7870 558935.7002 5.4951 5.3522 PRESSURE: 237000 -14.4996 -50.5053 -3.44211 -50.5062 64.4075 -100.35 -3.44277 -100.349 -244.313 GPRESSURE: 237000 -5.64643 -14.9393 29.1877 6.0326 83.4048 -194.435 -2.50684 -84.5102 -173.115 PRESSAVG: 237000 -18.7193 26.132 -27.9217 26.1319 24.5671 42.8932 -27.9218 42.8932 -12.2493 GPRESSAVG: 237000 -17.1273 26.034 -22.7207 26.293 22.9265 44.6382 -31.3557 40.3533 -12.6694 TIMING: 237000 CPU: 700.938, 0.00297429/step Wall: 700.938, 0.00297429/step, 3.93515 hours remaining, 203.429688 MB of memory in use. ENERGY: 237000 777.9850 2075.4972 1931.8304 122.7815 -206442.7939 17815.3698 0.0000 0.0000 34215.7714 -149503.5585 298.8148 -183719.3299 -149409.0805 297.6645 -64.8016 -31.7856 556810.4835 -2.1338 -2.2901 PRESSURE: 237200 41.2048 30.9515 70.3556 30.9509 -16.4571 5.00614 70.3563 5.00663 -255.017 GPRESSURE: 237200 75.5951 31.7012 119.034 41.748 -29.8238 85.2378 1.93355 24.7522 -174.143 PRESSAVG: 237200 -39.4886 8.79213 42.7511 8.79219 110.268 -64.6777 42.7512 -64.6778 -54.0351 GPRESSAVG: 237200 -40.3889 10.1784 41.5096 9.68405 111.496 -65.102 44.3066 -63.528 -54.3811 TIMING: 237200 CPU: 701.532, 0.0029671/step Wall: 701.532, 0.0029671/step, 3.92547 hours remaining, 203.429688 MB of memory in use. ENERGY: 237200 752.2312 2103.2387 1948.6973 114.0715 -206533.3040 17904.2150 0.0000 0.0000 34216.5749 -149494.2755 298.8219 -183710.8503 -149399.3215 299.0087 -76.7565 -42.7906 557250.8092 5.5814 5.5752 PRESSURE: 237400 117.243 106.892 -16.2163 106.893 -60.9708 -63.7651 -16.2167 -63.7659 28.9163 GPRESSURE: 237400 211.984 39.4032 -80.7577 94.7405 -106.541 -163.648 -51.187 -54.6971 75.6673 PRESSAVG: 237400 96.0014 47.6838 12.3434 47.6839 -3.84452 -22.5582 12.3434 -22.5582 -48.593 GPRESSAVG: 237400 95.9512 46.2678 11.7236 48.954 -3.30604 -22.8185 14.9799 -21.9273 -49.0722 TIMING: 237400 CPU: 702.124, 0.0029622/step Wall: 702.124, 0.0029622/step, 3.91883 hours remaining, 203.429688 MB of memory in use. ENERGY: 237400 789.4123 2064.6673 1951.5226 113.7122 -206181.1384 17935.5699 0.0000 0.0000 33891.3112 -149434.9428 295.9812 -183326.2540 -149337.8321 298.4528 28.3962 60.3701 557448.3903 14.5213 14.5243 PRESSURE: 237600 80.585 -57.9411 -41.2335 -57.9407 68.8649 -45.9572 -41.2345 -45.9556 91.2594 GPRESSURE: 237600 155.835 -46.2593 -116.521 -99.3373 83.123 -19.9598 -54.9854 26.4372 96.3926 PRESSAVG: 237600 52.054 34.9491 0.894917 34.9491 -20.8974 -18.0033 0.89493 -18.0033 0.974326 GPRESSAVG: 237600 51.8515 35.4006 1.03277 34.3359 -21.4512 -19.6074 -0.470673 -17.8677 1.5689 TIMING: 237600 CPU: 702.713, 0.00294551/step Wall: 702.713, 0.00294551/step, 3.89658 hours remaining, 203.429688 MB of memory in use. ENERGY: 237600 713.4139 2123.8095 1956.6507 124.6706 -206418.3126 17965.5800 0.0000 0.0000 34182.3745 -149351.8134 298.5232 -183534.1878 -149266.0174 298.4768 80.2365 111.7836 557407.1445 10.7103 10.6564 PRESSURE: 237800 -143.382 69.7217 -18.7367 69.7219 -181.218 -122.824 -18.7369 -122.824 -22.3674 GPRESSURE: 237800 -121.304 36.4334 4.2445 118.362 -142.295 -79.9655 59.8981 -94.9076 14.5169 PRESSAVG: 237800 69.1167 15.4079 -9.29133 15.4079 -76.738 -28.6773 -9.29133 -28.6773 6.95096 GPRESSAVG: 237800 68.567 14.5013 -7.78696 17.4937 -76.7534 -28.1651 -10.3908 -28.3225 7.66187 TIMING: 237800 CPU: 703.303, 0.00294692/step Wall: 703.303, 0.00294692/step, 3.89828 hours remaining, 203.429688 MB of memory in use. ENERGY: 237800 743.1768 2093.3708 1943.0967 103.5546 -206045.0257 17527.7743 0.0000 0.0000 34243.8761 -149390.1763 299.0603 -183634.0525 -149295.4359 298.7118 -115.6558 -83.0271 557408.1967 -0.2234 -0.1749 PRESSURE: 238000 -105.615 28.8214 -45.3577 28.8197 -211.591 218.927 -45.3584 218.927 63.2405 GPRESSURE: 238000 -104.224 94.2368 -63.134 61.0311 -158.755 281.826 -60.4604 140.757 114.131 PRESSAVG: 238000 -23.1329 37.1928 -59.255 37.1927 -34.1961 -44.984 -59.255 -44.9839 19.6428 GPRESSAVG: 238000 -23.2766 36.6204 -59.4094 37.2281 -34.4596 -43.2814 -59.3755 -46.5751 19.3076 TIMING: 238000 CPU: 703.893, 0.00295093/step Wall: 703.893, 0.00295093/step, 3.90342 hours remaining, 203.429688 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: 238000 705.2392 2147.5298 1948.6567 108.2345 -206393.7680 17764.1120 0.0000 0.0000 34343.7036 -149376.2922 299.9321 -183719.9958 -149284.1750 297.9935 -84.6552 -49.6159 558415.9458 -12.5621 -12.8095 PRESSURE: 238200 147.878 -135.71 145.509 -135.71 133.571 -3.14434 145.507 -3.14578 371.934 GPRESSURE: 238200 160.387 -163.158 80.6545 -150.65 175.769 32.0409 169.666 -41.1547 408.867 PRESSAVG: 238200 5.38454 -15.3927 8.2878 -15.3926 -48.3591 -20.8183 8.2878 -20.8183 97.6244 GPRESSAVG: 238200 5.41167 -15.2579 7.19799 -16.6505 -48.2908 -21.3189 9.67664 -19.0592 97.4693 TIMING: 238200 CPU: 704.48, 0.00293714/step Wall: 704.48, 0.00293714/step, 3.88502 hours remaining, 203.429688 MB of memory in use. ENERGY: 238200 709.4371 2069.2893 1952.4720 115.1909 -206792.0894 18211.7648 0.0000 0.0000 34335.8652 -149398.0701 299.8637 -183733.9353 -149301.5398 299.1224 217.7943 248.3410 556540.0619 18.2166 18.1967 PRESSURE: 238400 -121.83 136.771 49.9151 136.772 166.868 -143.611 49.9153 -143.611 345.453 GPRESSURE: 238400 -36.1763 192.53 -18.959 61.5268 220.317 -80.1754 118.407 -164.137 318.049 PRESSAVG: 238400 -2.08378 16.3363 -8.61186 16.3363 -59.6814 -19.4853 -8.61177 -19.4852 42.6058 GPRESSAVG: 238400 -3.45408 17.4398 -8.5557 15.7118 -58.3903 -20.5784 -7.6418 -21.2206 42.5244 TIMING: 238400 CPU: 705.065, 0.00292106/step Wall: 705.065, 0.00292106/step, 3.86359 hours remaining, 203.429688 MB of memory in use. ENERGY: 238400 760.4587 2074.8767 1936.8794 117.5900 -206826.2884 18249.6824 0.0000 0.0000 34275.3879 -149411.4134 299.3355 -183686.8013 -149320.1803 298.9110 130.1634 167.3965 557179.0514 -6.3865 -6.4400 PRESSURE: 238600 140.264 -12.226 72.054 -12.2271 -27.977 50.516 72.054 50.5144 173.152 GPRESSURE: 238600 177.847 -48.8087 173.494 63.7862 27.8415 57.2899 34.3182 100.095 165.52 PRESSAVG: 238600 9.1912 -27.433 -2.07456 -27.4329 18.6957 -31.487 -2.07445 -31.487 -35.0575 GPRESSAVG: 238600 10.1596 -26.0509 -1.88835 -27.1466 17.4982 -32.0217 -3.65275 -28.587 -34.6037 TIMING: 238600 CPU: 705.651, 0.00293361/step Wall: 705.651, 0.00293361/step, 3.88002 hours remaining, 203.429688 MB of memory in use. ENERGY: 238600 725.6743 2047.3536 1954.5124 118.5602 -206489.3375 18110.0916 0.0000 0.0000 34265.4470 -149267.6984 299.2487 -183533.1454 -149168.8915 299.1983 95.1463 123.7361 556851.8435 -2.3902 -2.3153 PRESSURE: 238800 -28.932 -138.219 19.6755 -138.22 222.315 -15.4053 19.6767 -15.4054 -97.5836 GPRESSURE: 238800 -12.9301 -177.245 19.1972 -0.169954 244.435 -21.7482 21.9702 -40.6327 -55.9537 PRESSAVG: 238800 57.7626 8.74574 55.3915 8.74577 33.1175 -32.5328 55.3915 -32.5327 -40.795 GPRESSAVG: 238800 57.7185 7.17305 54.8368 8.65393 32.8537 -30.9358 55.2466 -34.1142 -40.343 TIMING: 238800 CPU: 706.242, 0.00295572/step Wall: 706.242, 0.00295572/step, 3.90911 hours remaining, 203.429688 MB of memory in use. ENERGY: 238800 759.1889 2048.3881 1907.6137 110.1837 -206533.9327 18001.1032 0.0000 0.0000 34276.5912 -149430.8639 299.3460 -183707.4551 -149335.0583 299.2058 31.9331 58.5171 557745.6272 16.6950 16.7431 PRESSURE: 239000 -221.066 63.5784 -125.403 63.5776 136.738 58.4428 -125.402 58.4441 118.297 GPRESSURE: 239000 -171.942 69.5494 -100.632 94.9922 174.011 -70.9227 -129.088 100.641 121.272 PRESSAVG: 239000 -10.3135 -27.0744 24.281 -27.0745 51.9314 17.8981 24.281 17.8981 -29.8846 GPRESSAVG: 239000 -10.1752 -26.1997 27.8102 -24.7001 52.1315 16.3023 23.2652 18.8757 -30.4034 TIMING: 239000 CPU: 706.836, 0.00296801/step Wall: 706.836, 0.00296801/step, 3.9252 hours remaining, 203.429688 MB of memory in use. ENERGY: 239000 724.8401 2085.5633 1931.6237 109.3779 -206012.6524 17753.9496 0.0000 0.0000 34099.2979 -149307.9999 297.7976 -183407.2979 -149216.9543 299.2594 11.3231 41.1137 557833.7401 3.9111 3.8510 PRESSURE: 239200 159.43 35.8897 267.541 35.8908 75.2733 91.7129 267.541 91.7133 144.422 GPRESSURE: 239200 133.792 54.0735 292.628 54.0184 112.141 67.0375 161.708 113.681 226.765 PRESSAVG: 239200 31.172 -22.7261 60.8283 -22.7262 -28.7409 -16.1472 60.8282 -16.1472 27.6899 GPRESSAVG: 239200 29.4798 -21.477 57.5796 -24.4171 -27.6436 -13.0925 63.8446 -17.676 27.9587 TIMING: 239200 CPU: 707.427, 0.00295567/step Wall: 707.427, 0.00295567/step, 3.9087 hours remaining, 203.429688 MB of memory in use. ENERGY: 239200 752.8157 2079.0905 1935.7029 109.9363 -206228.9747 17914.2452 0.0000 0.0000 34178.7435 -149258.4405 298.4915 -183437.1840 -149160.3981 298.3555 126.3750 157.5661 557377.1180 10.0403 9.9317 PRESSURE: 239400 -139.447 -13.9178 -164.598 -13.9194 26.277 1.77388 -164.598 1.77422 10.5251 GPRESSURE: 239400 -87.6558 -1.56582 -160.693 -22.1348 75.0232 -7.5652 -147.88 11.3805 20.1007 PRESSAVG: 239400 -19.0065 43.7587 43.3567 43.7588 46.0797 -14.0381 43.3568 -14.0381 19.807 GPRESSAVG: 239400 -19.2736 42.593 44.075 42.8369 46.311 -15.7365 42.1772 -12.687 19.3073 TIMING: 239400 CPU: 708.015, 0.00294029/step Wall: 708.015, 0.00294029/step, 3.88821 hours remaining, 203.429688 MB of memory in use. ENERGY: 239400 759.4772 2098.5043 1914.0290 112.5333 -206018.2814 17826.6938 0.0000 0.0000 34164.5898 -149142.4540 298.3679 -183307.0438 -149044.5268 298.9236 -34.2149 2.4894 559180.0440 15.6267 15.4482 PRESSURE: 239600 -222.526 -114.475 15.4792 -114.475 -148.857 56.9063 15.4791 56.907 -164.992 GPRESSURE: 239600 -176.225 -70.7567 22.5545 -149.546 -125.404 -12.6314 27.5842 46.5681 -139.565 PRESSAVG: 239600 -86.2562 20.3331 23.6661 20.3331 96.9426 -46.1645 23.6661 -46.1646 16.0833 GPRESSAVG: 239600 -84.7892 20.4931 23.9776 21.9715 96.356 -46.503 24.0309 -46.9401 15.1059 TIMING: 239600 CPU: 708.602, 0.00293117/step Wall: 708.602, 0.00293117/step, 3.87599 hours remaining, 203.429688 MB of memory in use. ENERGY: 239600 761.8411 2125.4540 1945.7140 100.3066 -205660.3117 17448.5720 0.0000 0.0000 34347.2875 -148931.1364 299.9634 -183278.4239 -148836.4721 299.6429 -178.7914 -147.0646 558618.9819 8.9232 8.8909 PRESSURE: 239800 -333.502 -189.538 -9.8388 -189.538 -275.655 24.5399 -9.83728 24.5409 104.897 GPRESSURE: 239800 -250.914 -226.707 -98.4652 -152.736 -293.558 40.699 31.8407 24.1654 153.464 PRESSAVG: 239800 44.5259 -94.7947 25.1572 -94.7948 -11.3909 -24.7507 25.1571 -24.7506 2.9294 GPRESSAVG: 239800 44.5815 -94.4143 24.58 -94.5071 -13.1075 -24.7641 26.0697 -23.1695 4.6208 TIMING: 239800 CPU: 709.193, 0.0029569/step Wall: 709.193, 0.0029569/step, 3.90984 hours remaining, 203.429688 MB of memory in use. ENERGY: 239800 753.7677 2015.9724 1922.5404 107.1889 -205567.2089 17476.2609 0.0000 0.0000 34229.0928 -149062.3858 298.9312 -183291.4786 -148965.5682 299.5579 -168.0868 -130.3360 558259.2865 12.0215 12.0316 PRESSURE: 240000 -163.564 -118.006 -11.2261 -118.006 104.747 -48.2968 -11.2257 -48.2957 -462.308 GPRESSURE: 240000 -117.42 -54.7792 -8.09609 -91.5544 115.179 -56.7591 29.9428 -43.3196 -417.907 PRESSAVG: 240000 -61.1387 -89.7471 -3.58669 -89.7471 69.5676 -1.4785 -3.58659 -1.47838 -15.827 GPRESSAVG: 240000 -62.0317 -90.5552 -4.3155 -90.2722 70.4034 -0.767635 -3.52218 -2.32535 -15.5543 TIMING: 240000 CPU: 709.784, 0.00295586/step Wall: 709.784, 0.00295586/step, 3.90831 hours remaining, 203.429688 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: 240000 769.4926 2095.2364 1956.2361 110.6352 -205848.7655 17666.2207 0.0000 0.0000 34128.5350 -149122.4096 298.0530 -183250.9446 -149024.3004 299.2994 -173.7084 -140.0495 559422.6669 -2.4660 -2.3942 PRESSURE: 240200 -166.756 152.203 -53.7444 152.204 -357.415 -31.9508 -53.7444 -31.9515 155.75 GPRESSURE: 240200 -103.937 51.3366 -79.6849 186.599 -318.747 -14.0694 37.5763 16.9352 156.68 PRESSAVG: 240200 -12.9706 -37.2085 36.1514 -37.2085 87.7426 36.7486 36.1515 36.7484 -45.192 GPRESSAVG: 240200 -10.7893 -38.195 37.3212 -37.3912 87.7938 36.5412 34.1682 37.6428 -47.315 TIMING: 240200 CPU: 710.377, 0.00296578/step Wall: 710.377, 0.00296578/step, 3.92126 hours remaining, 203.429688 MB of memory in use. ENERGY: 240200 723.8953 2118.8619 1957.0593 112.5774 -205846.3825 17573.3049 0.0000 0.0000 34315.6565 -149045.0272 299.6872 -183360.6837 -148945.3295 299.1056 -122.8070 -88.6679 558202.4198 9.8600 9.8965 LDB: ============= START OF LOAD BALANCING ============== 713.804 LDB: ============== END OF LOAD BALANCING =============== 713.804 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 713.806 LDB: ============= START OF LOAD BALANCING ============== 714.103 LDB: Largest compute 4848 load 0.031445 is 26.7% of average load 0.117782 LDB: Average compute 0.001732 is 1.5% of average load 0.117782 LDB: TIME 714.106 LOAD: AVG 0.117782 MAX 0.198117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.527 MB LDB: TIME 714.106 LOAD: AVG 0.117782 MAX 0.198117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.566 MB LDB: TIME 714.106 LOAD: AVG 0.117782 MAX 0.198117 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.566 MB LDB: ============== END OF LOAD BALANCING =============== 714.108 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 714.112 PRESSURE: 240400 -85.1241 -49.8771 50.0261 -49.8776 -68.8424 -42.4218 50.0256 -42.4211 147.867 GPRESSURE: 240400 -70.3032 -100.315 -52.2037 -66.8426 -52.3375 -27.5046 28.0863 -35.6305 210.303 PRESSAVG: 240400 -17.1979 -1.95196 16.8852 -1.95213 -14.283 8.03335 16.8853 8.03332 64.5696 GPRESSAVG: 240400 -18.369 -1.73617 16.2953 -0.755715 -14.6691 6.90794 19.3389 7.62295 65.925 TIMING: 240400 CPU: 710.982, 0.00302446/step Wall: 710.982, 0.00302446/step, 3.99868 hours remaining, 203.582031 MB of memory in use. ENERGY: 240400 753.7438 2080.4079 1929.1496 121.6328 -206006.0505 17784.7976 0.0000 0.0000 34329.1515 -149007.1673 299.8050 -183336.3188 -148904.3010 300.1198 -2.0331 29.2208 557685.9798 11.0296 10.9623 PRESSURE: 240600 226.554 96.3482 73.0374 96.3484 141.337 -156.565 73.0378 -156.564 288.292 GPRESSURE: 240600 222.915 134.132 182.363 100.441 161.468 -198.467 5.42069 -77.6868 356.342 PRESSAVG: 240600 -44.2497 37.9617 33.2388 37.9617 21.728 -66.617 33.2388 -66.617 53.9535 GPRESSAVG: 240600 -44.9289 38.5889 32.6632 36.3485 22.3164 -65.1488 31.5843 -64.9788 54.6784 TIMING: 240600 CPU: 711.575, 0.00296432/step Wall: 711.575, 0.00296432/step, 3.919 hours remaining, 203.785156 MB of memory in use. ENERGY: 240600 725.3768 2065.8439 1937.8386 116.9385 -206056.8545 18061.4321 0.0000 0.0000 34331.4033 -148818.0212 299.8247 -183149.4245 -148715.0862 299.6594 218.7277 246.9086 558313.4822 10.4773 10.6887 PRESSURE: 240800 311.837 -10.5642 31.9935 -10.5644 -143.706 -6.67318 31.9921 -6.67253 -41.3403 GPRESSURE: 240800 348.348 -85.9443 117.175 31.9804 -91.4898 -29.5399 2.04169 -10.9414 -35.5838 PRESSAVG: 240800 -16.011 -10.7028 41.1477 -10.7027 -75.1317 -1.56538 41.1477 -1.5654 79.4061 GPRESSAVG: 240800 -16.3143 -10.8038 40.703 -10.1489 -74.0615 -1.00153 42.2451 -2.91797 78.3676 TIMING: 240800 CPU: 712.169, 0.00296878/step Wall: 712.169, 0.00296878/step, 3.92473 hours remaining, 203.785156 MB of memory in use. ENERGY: 240800 765.2254 2110.8759 1968.6791 101.7227 -205767.4190 17820.6546 0.0000 0.0000 34175.7776 -148824.4836 298.4656 -183000.2613 -148726.1362 299.8037 42.2636 73.7583 558692.2390 -3.9122 -4.0027 PRESSURE: 241000 -321.834 30.8835 88.5674 30.8844 -25.6725 131.86 88.5674 131.859 -265.454 GPRESSURE: 241000 -293.988 51.4185 70.1189 45.3778 -12.6963 143.079 92.1798 101.153 -205.728 PRESSAVG: 241000 14.2839 63.9622 7.6313 63.9623 20.0744 -0.451284 7.63128 -0.451309 13.9375 GPRESSAVG: 241000 15.464 63.3863 10.1066 63.4517 18.6979 -2.78454 5.88683 -0.238257 14.8634 TIMING: 241000 CPU: 712.761, 0.00295968/step Wall: 712.761, 0.00295968/step, 3.91253 hours remaining, 203.785156 MB of memory in use. ENERGY: 241000 758.3873 2122.7369 1942.7839 113.8137 -205696.3090 17540.4692 0.0000 0.0000 34456.3889 -148761.7290 300.9162 -183218.1180 -148663.5775 300.6977 -204.3202 -170.8042 558664.1205 16.0986 16.3418 PRESSURE: 241200 -211.318 -111.011 46.5916 -111.012 141.371 -23.3701 46.5909 -23.368 31.5624 GPRESSURE: 241200 -178.367 -137.775 56.2984 -155.625 213.851 -8.71715 108.519 11.7037 18.8558 PRESSAVG: 241200 32.6543 -9.41117 8.26493 -9.41115 5.09949 53.2881 8.26497 53.288 8.45441 GPRESSAVG: 241200 33.0675 -8.35552 6.08006 -7.58108 6.51498 55.8884 9.87575 53.6482 7.15856 TIMING: 241200 CPU: 713.356, 0.00297638/step Wall: 713.356, 0.00297638/step, 3.93444 hours remaining, 203.785156 MB of memory in use. ENERGY: 241200 771.9205 2101.3256 1941.9416 121.8472 -205650.6853 17732.4714 0.0000 0.0000 34437.8680 -148543.3111 300.7545 -182981.1791 -148456.3129 300.4018 -12.7946 18.1131 558683.0989 15.4027 15.5804 PRESSURE: 241400 116.354 47.1236 35.3841 47.1239 -3.04673 98.2613 35.3851 98.2606 206.743 GPRESSURE: 241400 146.196 53.927 44.5442 -29.6102 20.3938 40.6803 28.8795 113.535 238.817 PRESSAVG: 241400 -56.5213 26.0846 -29.2632 26.0846 61.6141 15.6389 -29.263 15.6389 9.37994 GPRESSAVG: 241400 -57.3831 26.5736 -28.3297 24.8694 61.3153 14.4666 -28.5784 13.4211 10.3563 TIMING: 241400 CPU: 713.952, 0.00298112/step Wall: 713.952, 0.00298112/step, 3.94054 hours remaining, 203.785156 MB of memory in use. ENERGY: 241400 740.2954 2086.2430 1942.2340 105.2590 -206134.3007 18030.1119 0.0000 0.0000 34728.5679 -148501.5894 303.2932 -183230.1573 -148399.1401 301.1013 106.6835 135.1355 558842.6456 4.8243 4.7628 PRESSURE: 241600 156.56 -27.2911 -189.78 -27.2908 3.35766 -30.3564 -189.779 -30.357 10.3623 GPRESSURE: 241600 198.269 -108.889 -97.6627 29.5582 5.09737 -7.56432 -217.306 -28.4301 65.1171 PRESSAVG: 241600 4.32575 10.6871 -50.1742 10.687 -62.5467 91.959 -50.1742 91.959 61.5581 GPRESSAVG: 241600 4.74133 9.50415 -49.1108 9.10687 -62.0178 92.3296 -51.6779 93.1305 60.5498 TIMING: 241600 CPU: 714.549, 0.00298532/step Wall: 714.549, 0.00298532/step, 3.94593 hours remaining, 203.785156 MB of memory in use. ENERGY: 241600 742.4289 2135.7706 1946.5420 104.0496 -206019.4755 17938.4081 0.0000 0.0000 34506.6529 -148645.6234 301.3552 -183152.2763 -148549.9599 300.8120 56.7598 89.4944 557721.3939 1.1124 1.0911 PRESSURE: 241800 96.8399 73.6305 63.2721 73.6321 44.9748 -67.6427 63.2727 -67.6427 360.976 GPRESSURE: 241800 110.771 55.0156 10.2102 101.86 127.217 -75.6389 86.6298 -62.2252 361.029 PRESSAVG: 241800 -37.605 26.275 5.65202 26.2751 56.2092 -57.5973 5.65197 -57.5973 -26.9476 GPRESSAVG: 241800 -38.1743 26.5 4.10037 26.6158 55.5981 -57.5797 5.5422 -57.2275 -26.3078 TIMING: 241800 CPU: 715.143, 0.00296758/step Wall: 715.143, 0.00296758/step, 3.92232 hours remaining, 203.785156 MB of memory in use. ENERGY: 241800 716.5039 2066.1395 1961.8672 117.1666 -206002.6957 17766.1677 0.0000 0.0000 34517.6042 -148857.2465 301.4508 -183374.8507 -148756.3732 300.6619 167.5969 199.6725 555984.0509 -2.7811 -2.9614 PRESSURE: 242000 271.007 85.0489 118.072 85.049 -101.807 39.0755 118.071 39.076 59.1884 GPRESSURE: 242000 320.358 193.967 92.2156 40.1288 -54.7493 -41.6977 154.376 81.7154 52.9124 PRESSAVG: 242000 -39.6473 -11.1304 46.8516 -11.1304 67.2853 -82.0414 46.8515 -82.0413 18.8366 GPRESSAVG: 242000 -39.4645 -11.0798 48.2936 -12.363 68.1994 -81.0359 45.9293 -83.5348 17.7216 TIMING: 242000 CPU: 715.733, 0.00295173/step Wall: 715.733, 0.00295173/step, 3.9012 hours remaining, 203.785156 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: 242000 789.0724 2098.7875 1956.9391 110.1041 -205770.8695 17844.8135 0.0000 0.0000 34187.4089 -148783.7438 298.5671 -182971.1527 -148686.6286 300.9049 76.1294 106.1737 558025.8176 15.4915 15.4855 PRESSURE: 242200 154.499 -39.4605 203.457 -39.4608 -3.99803 -162.372 203.456 -162.373 285.277 GPRESSURE: 242200 192.772 -31.0802 256.676 -14.6762 33.4634 -124.339 226.734 -157.778 316.512 PRESSAVG: 242200 -49.9699 42.9698 76.02 42.9698 -16.8477 2.72242 76.02 2.72252 105.376 GPRESSAVG: 242200 -49.9726 43.3143 72.9423 46.0715 -17.8551 1.37543 78.349 6.336 106.418 TIMING: 242200 CPU: 716.323, 0.00294706/step Wall: 716.323, 0.00294706/step, 3.89487 hours remaining, 203.785156 MB of memory in use. ENERGY: 242200 751.2547 2113.8274 1975.6990 105.8826 -206363.2205 18025.4547 0.0000 0.0000 34655.8643 -148735.2378 302.6583 -183391.1021 -148641.8555 300.8976 145.2592 180.9159 557185.4335 12.8528 12.8635 PRESSURE: 242400 -173.903 39.5274 179.933 39.5266 -197.087 95.046 179.933 95.0463 -121.507 GPRESSURE: 242400 -182.842 14.4309 270.763 4.93108 -161.555 98.0842 181.046 118.818 -44.2281 PRESSAVG: 242400 -11.8808 8.81402 39.2297 8.81397 -58.2097 33.0341 39.2297 33.0341 50.1754 GPRESSAVG: 242400 -12.6199 9.35709 42.7857 6.19139 -57.8994 32.7087 37.3765 32.0775 50.833 TIMING: 242400 CPU: 716.905, 0.00291277/step Wall: 716.905, 0.00291277/step, 3.84938 hours remaining, 203.785156 MB of memory in use. ENERGY: 242400 746.0814 2151.0250 1971.5242 119.7490 -205602.1572 17591.7928 0.0000 0.0000 34260.4549 -148761.5298 299.2051 -183021.9848 -148667.2067 300.4168 -164.1658 -129.5416 559497.6390 -6.6384 -6.5621 PRESSURE: 242600 -79.1091 -275.495 -14.6464 -275.496 38.0496 125.844 -14.6465 125.843 14.9695 GPRESSURE: 242600 -19.8833 -312.325 -9.76977 -241.199 44.2614 153.563 30.8223 96.0178 53.3529 PRESSAVG: 242600 3.1015 -18.011 38.388 -18.0111 -41.2054 4.53976 38.3879 4.53967 15.9692 GPRESSAVG: 242600 4.3291 -19.8194 37.7541 -16.6139 -41.104 3.58474 40.7202 6.59475 14.5544 TIMING: 242600 CPU: 717.49, 0.00292391/step Wall: 717.49, 0.00292391/step, 3.86395 hours remaining, 203.785156 MB of memory in use. ENERGY: 242600 769.1176 2072.4069 1939.7851 107.1722 -206168.4708 17922.7925 0.0000 0.0000 34475.9116 -148881.2849 301.0867 -183357.1965 -148776.2092 300.8289 -8.6967 25.9104 558359.8876 -7.3782 -7.4069 PRESSURE: 242800 166.126 12.2013 -285.666 12.1997 -89.7995 0.624789 -285.666 0.624373 235.69 GPRESSURE: 242800 168.736 -34.8445 -332.968 27.4265 -5.23127 -37.6741 -176.516 32.6996 246.428 PRESSAVG: 242800 93.2171 3.24314 45.9255 3.24314 -60.3537 -38.6507 45.9256 -38.6508 -47.0083 GPRESSAVG: 242800 92.5245 2.54171 46.1306 4.48133 -60.1791 -36.7611 43.7683 -38.0549 -46.3428 TIMING: 242800 CPU: 718.074, 0.0029193/step Wall: 718.074, 0.0029193/step, 3.85769 hours remaining, 203.785156 MB of memory in use. ENERGY: 242800 765.1892 2116.6730 1941.7957 114.9339 -206211.5527 18008.8435 0.0000 0.0000 34390.9573 -148873.1600 300.3448 -183264.1173 -148776.7713 299.8623 104.0056 136.6440 557671.1982 -4.7150 -4.6658 PRESSURE: 243000 -31.4084 -72.9513 234.999 -72.9519 86.8838 80.0291 234.999 80.0309 90.118 GPRESSURE: 243000 -34.241 -21.3979 306.224 -86.9334 144.557 42.8387 168.162 109.967 128.493 PRESSAVG: 243000 -22.4444 28.428 -15.6323 28.4282 26.4463 -3.28719 -15.6323 -3.28715 -28.3422 GPRESSAVG: 243000 -22.2716 30.3657 -18.7899 27.5626 26.6299 -2.98047 -13.418 -5.64288 -29.0086 TIMING: 243000 CPU: 718.661, 0.00293437/step Wall: 718.661, 0.00293437/step, 3.87744 hours remaining, 203.785156 MB of memory in use. ENERGY: 243000 760.3474 2060.9110 1961.5875 106.1490 -206020.5267 18017.4137 0.0000 0.0000 34204.1535 -148909.9645 298.7134 -183114.1180 -148818.5167 300.1029 48.5311 79.6028 558667.8952 -8.1134 -8.2168 PRESSURE: 243200 91.1364 -20.753 49.8828 -20.7536 43.8099 57.9919 49.8826 57.9922 87.6698 GPRESSURE: 243200 78.9373 -64.5792 -52.3946 -18.799 93.7944 36.8597 101.688 54.8352 126.8 PRESSAVG: 243200 35.1336 43.235 -10.0657 43.235 11.8667 -7.71342 -10.0656 -7.71342 -65.9206 GPRESSAVG: 243200 34.7276 42.6931 -9.12399 43.8509 12.01 -8.89277 -11.714 -7.78036 -65.4236 TIMING: 243200 CPU: 719.252, 0.00295597/step Wall: 719.252, 0.00295597/step, 3.90582 hours remaining, 203.785156 MB of memory in use. ENERGY: 243200 720.1148 2045.0932 1931.4365 116.3925 -206020.8110 17969.1206 0.0000 0.0000 34391.8799 -148846.7735 300.3528 -183238.6534 -148751.6093 300.2100 74.2054 99.8440 559755.7049 -6.3068 -6.2287 PRESSURE: 243400 -27.8815 41.476 37.2747 41.4751 174.332 76.7082 37.2731 76.7101 3.68687 GPRESSURE: 243400 -23.6153 -11.0251 59.9981 87.1206 236.161 12.637 28.0901 126.285 28.349 PRESSAVG: 243400 6.1463 14.7057 20.927 14.7057 6.69129 10.535 20.9271 10.5349 24.1545 GPRESSAVG: 243400 6.5043 15.2707 23.5917 13.3159 7.45389 12.4139 18.9593 9.29627 23.6223 TIMING: 243400 CPU: 719.844, 0.00296246/step Wall: 719.844, 0.00296246/step, 3.91423 hours remaining, 203.785156 MB of memory in use. ENERGY: 243400 738.2425 2108.5473 1964.1077 111.7878 -206106.1865 17904.3766 0.0000 0.0000 34518.8536 -148760.2709 301.4617 -183279.1245 -148662.0415 300.3483 50.0457 80.2984 557462.4122 12.3307 12.5268 PRESSURE: 243600 -254.298 131.243 24.2214 131.243 -78.2742 -64.7743 24.2213 -64.7728 117.253 GPRESSURE: 243600 -224.663 78.0612 32.9181 72.9828 -69.902 -103.815 113.878 -58.3543 178.743 PRESSAVG: 243600 -17.0385 15.9075 6.95556 15.9074 -13.498 1.22927 6.95549 1.22931 -0.323666 GPRESSAVG: 243600 -17.3057 14.4332 5.80098 19.0796 -14.6142 0.348971 7.93749 5.24504 0.42307 TIMING: 243600 CPU: 720.441, 0.00298172/step Wall: 720.441, 0.00298172/step, 3.93951 hours remaining, 203.785156 MB of memory in use. ENERGY: 243600 713.9838 2131.6103 1966.1991 116.9029 -205684.4733 17609.1893 0.0000 0.0000 34350.1314 -148796.4565 299.9882 -183146.5879 -148694.2802 300.9673 -71.7731 -38.6076 560027.2855 -10.2867 -10.4990 PRESSURE: 243800 -192.611 -69.3221 70.1184 -69.323 -143.926 117.33 70.1182 117.33 -63.6311 GPRESSURE: 243800 -94.2801 -37.4382 29.3901 4.56592 -154.205 167.874 23.6926 119.913 -36.7504 PRESSAVG: 243800 5.28808 34.9336 -18.0339 34.9334 -83.9606 43.5901 -18.0338 43.5901 67.7612 GPRESSAVG: 243800 4.73497 37.6848 -16.7185 33.6932 -84.0202 43.9707 -18.2016 41.0486 67.8721 TIMING: 243800 CPU: 721.032, 0.00295638/step Wall: 721.032, 0.00295638/step, 3.90587 hours remaining, 203.785156 MB of memory in use. ENERGY: 243800 781.1747 2135.1425 1958.5688 101.8217 -205738.4811 17608.4545 0.0000 0.0000 34332.9137 -148820.4053 299.8379 -183153.3189 -148712.3910 300.0819 -133.3892 -95.0785 559651.0455 -3.6371 -3.8044 PRESSURE: 244000 26.4454 159.247 -116.457 159.247 104.015 138.443 -116.456 138.443 183.443 GPRESSURE: 244000 88.5903 121.854 -203.836 197.711 153.202 114.55 -90.8035 114.516 180.482 PRESSAVG: 244000 -56.7074 -10.5981 35.4094 -10.5981 47.1781 -16.3325 35.4096 -16.3324 6.52831 GPRESSAVG: 244000 -57.6923 -14.0076 32.6645 -8.91855 48.0124 -16.9069 36.8909 -15.7905 6.76533 TIMING: 244000 CPU: 721.624, 0.00295934/step Wall: 721.624, 0.00295935/step, 3.90962 hours remaining, 203.785156 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: 244000 736.3723 2146.6568 1932.4515 112.9119 -206187.0829 18076.1959 0.0000 0.0000 34397.0546 -148785.4399 300.3980 -183182.4945 -148686.0973 300.2185 104.6345 140.7582 558826.9621 -1.0004 -0.9715 PRESSURE: 244200 94.8929 -20.7204 -30.9646 -20.7194 106.466 99.83 -30.9637 99.8316 32.6077 GPRESSURE: 244200 166.313 -0.38816 -24.1988 -93.4567 166.228 168.755 -16.8623 20.5824 -4.40788 PRESSAVG: 244200 -12.0045 18.834 11.8238 18.8339 33.1771 8.6026 11.824 8.60259 15.9962 GPRESSAVG: 244200 -10.7516 22.1485 14.2376 15.3301 32.0812 9.2591 10.9036 7.96549 15.6625 TIMING: 244200 CPU: 722.214, 0.00295082/step Wall: 722.214, 0.00295082/step, 3.8982 hours remaining, 203.785156 MB of memory in use. ENERGY: 244200 713.4683 2086.3275 1956.4929 116.7023 -206104.9264 18007.2681 0.0000 0.0000 34502.2440 -148722.4233 301.3167 -183224.6673 -148619.3806 300.3615 77.9888 109.3777 559306.8104 12.3896 12.3307 LDB: ============= START OF LOAD BALANCING ============== 725.64 LDB: ============== END OF LOAD BALANCING =============== 725.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 725.642 LDB: ============= START OF LOAD BALANCING ============== 725.937 LDB: Largest compute 4848 load 0.031668 is 26.9% of average load 0.117854 LDB: Average compute 0.001738 is 1.5% of average load 0.117854 LDB: TIME 725.94 LOAD: AVG 0.117854 MAX 0.197885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.125 MB LDB: TIME 725.94 LOAD: AVG 0.117854 MAX 0.197885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.367 MB LDB: TIME 725.94 LOAD: AVG 0.117854 MAX 0.197885 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.367 MB LDB: ============== END OF LOAD BALANCING =============== 725.942 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 725.946 PRESSURE: 244400 99.2302 41.2908 93.7266 41.2907 65.8926 -65.4127 93.7257 -65.4117 -54.3755 GPRESSURE: 244400 60.9891 84.5783 56.7483 -5.66032 101.054 -63.0703 85.9129 -55.2376 34.9736 PRESSAVG: 244400 -2.00552 -4.7806 35.0196 -4.78056 9.67296 -5.13838 35.0197 -5.1384 15.3426 GPRESSAVG: 244400 -1.30422 -4.86806 34.0974 -4.99818 8.86439 -7.24523 35.4958 -3.08772 15.4703 TIMING: 244400 CPU: 722.816, 0.00301076/step Wall: 722.816, 0.00301076/step, 3.97721 hours remaining, 203.839844 MB of memory in use. ENERGY: 244400 793.9249 2078.1463 1953.1507 119.7482 -206004.4829 17929.1356 0.0000 0.0000 34463.8902 -148666.4869 300.9817 -183130.3771 -148570.1183 301.0825 36.9158 65.6724 558307.3174 7.6700 7.6768 PRESSURE: 244600 -4.24352 26.8515 100.39 26.8511 -129.56 -24.234 100.39 -24.2343 -18.7661 GPRESSURE: 244600 69.4376 55.5658 124.609 -16.3795 -106.793 72.4911 70.8525 -35.3888 -8.07428 PRESSAVG: 244600 -10.9123 48.9358 -3.12242 48.9357 -7.99446 -33.3402 -3.12243 -33.3403 5.02382 GPRESSAVG: 244600 -11.9848 48.135 -1.54606 49.1111 -7.23592 -31.8425 -5.01731 -34.4674 4.97562 TIMING: 244600 CPU: 723.407, 0.00295523/step Wall: 723.407, 0.00295523/step, 3.9037 hours remaining, 204.214844 MB of memory in use. ENERGY: 244600 733.7075 2086.7279 1926.5997 114.8975 -205663.1322 17755.0151 0.0000 0.0000 34374.1478 -148672.0367 300.1980 -183046.1845 -148584.5581 300.6747 -50.8566 -15.1434 559185.9263 -4.6276 -4.7484 PRESSURE: 244800 -157.315 -123.486 167.097 -123.485 -23.7924 94.6521 167.097 94.6534 61.4392 GPRESSURE: 244800 -130.401 -139.19 194.849 -46.5237 -1.14 40.1464 60.5226 67.4129 107.741 PRESSAVG: 244800 16.1331 43.4876 32.4784 43.4877 -28.0167 19.8612 32.4784 19.8612 40.7576 GPRESSAVG: 244800 16.9095 43.7182 28.2381 45.3476 -28.11 19.0152 35.0481 20.4034 40.0352 TIMING: 244800 CPU: 723.998, 0.00295503/step Wall: 723.998, 0.00295503/step, 3.90327 hours remaining, 204.214844 MB of memory in use. ENERGY: 244800 747.8754 2089.7589 1955.9988 116.2261 -205469.1188 17588.7183 0.0000 0.0000 34390.9138 -148579.6275 300.3444 -182970.5413 -148484.1993 299.9208 -39.8893 -7.9336 559882.7920 9.6247 9.6115 PRESSURE: 245000 -121.725 74.4414 -101.045 74.4425 -206.405 29.2511 -101.045 29.2507 36.4752 GPRESSURE: 245000 -59.2745 107.113 -25.0056 149.051 -178.505 -26.2812 -104.569 197.534 37.898 PRESSAVG: 245000 -5.66278 40.8516 -54.8212 40.8516 29.8282 -21.7084 -54.8213 -21.7083 3.4195 GPRESSAVG: 245000 -6.20815 40.6595 -53.6221 39.7699 30.1394 -22.2413 -55.6077 -24.0616 3.67937 TIMING: 245000 CPU: 724.59, 0.00296126/step Wall: 724.59, 0.00296126/step, 3.91133 hours remaining, 204.214844 MB of memory in use. ENERGY: 245000 793.5547 2114.7689 1956.3513 110.8187 -205671.7522 17608.7298 0.0000 0.0000 34450.1362 -148637.3926 300.8616 -183087.5289 -148541.8769 300.4789 -97.2182 -66.6271 558370.4001 9.1950 9.2035 PRESSURE: 245200 266.219 85.8758 -117.365 85.8754 -112.329 132.249 -117.365 132.25 38.5726 GPRESSURE: 245200 235.277 81.8056 -76.4035 52.7487 -20.2202 73.5635 -168.734 109.088 70.2583 PRESSAVG: 245200 55.9271 16.0772 -8.96741 16.0773 -30.6125 -30.2784 -8.96733 -30.2784 -3.76423 GPRESSAVG: 245200 55.8783 14.6601 -8.33244 16.0765 -30.955 -29.0003 -8.84147 -28.4491 -3.32728 TIMING: 245200 CPU: 725.176, 0.00292925/step Wall: 725.176, 0.00292925/step, 3.86889 hours remaining, 204.214844 MB of memory in use. ENERGY: 245200 750.0412 2055.3148 1940.7419 108.1184 -206020.1137 18017.4423 0.0000 0.0000 34464.5788 -148683.8762 300.9877 -183148.4550 -148586.1338 300.8520 64.1542 95.1051 558816.5633 7.1835 7.1987 PRESSURE: 245400 -159.503 43.9667 138.834 43.9674 -9.87245 168.431 138.834 168.432 121.05 GPRESSURE: 245400 -138.764 28.6615 145.284 48.6909 56.1599 168.919 30.1765 192.759 145.492 PRESSAVG: 245400 34.1176 13.965 43.3564 13.9651 -4.57667 -4.8264 43.3564 -4.8265 -34.8836 GPRESSAVG: 245400 34.9846 14.721 43.1556 14.8856 -6.20697 -5.93975 40.821 -3.11433 -34.5973 TIMING: 245400 CPU: 725.762, 0.00292945/step Wall: 725.762, 0.00292945/step, 3.86899 hours remaining, 204.214844 MB of memory in use. ENERGY: 245400 789.1547 2101.9184 1923.5277 108.1822 -206052.9378 17910.4704 0.0000 0.0000 34467.8963 -148751.7881 301.0167 -183219.6844 -148662.9124 301.4997 -16.1084 20.9625 558679.2468 -1.7809 -1.9399 PRESSURE: 245600 -15.4504 113.044 147.098 113.043 238.58 31.2529 147.099 31.253 5.08241 GPRESSURE: 245600 -40.1158 94.4268 107.246 6.73704 233.801 61.6825 71.2917 19.9616 125.688 PRESSAVG: 245600 21.5007 -21.1195 -11.4342 -21.1196 -26.1434 5.21916 -11.4343 5.21911 24.5128 GPRESSAVG: 245600 20.49 -21.6942 -10.0599 -22.6785 -24.6906 5.962 -10.3388 3.37751 24.4787 TIMING: 245600 CPU: 726.35, 0.00294156/step Wall: 726.35, 0.00294156/step, 3.88482 hours remaining, 204.214844 MB of memory in use. ENERGY: 245600 711.4357 2118.1988 1932.8129 102.4398 -205799.2876 17712.6697 0.0000 0.0000 34207.4295 -149014.3013 298.7420 -183221.7308 -148919.9963 300.4739 76.0706 106.4576 556260.7124 6.6234 6.7594 PRESSURE: 245800 -21.83 26.715 -60.6186 26.7158 -112.656 -102.481 -60.6205 -102.48 -11.6288 GPRESSURE: 245800 20.5888 48.6829 -55.0394 57.891 -66.2331 -122.418 -23.8418 -72.6185 -7.51526 PRESSAVG: 245800 19.1741 -9.98396 16.0156 -9.98394 87.1463 38.8645 16.0156 38.8645 -52.1547 GPRESSAVG: 245800 20.2303 -9.46288 12.015 -9.24714 85.9992 39.7863 18.3803 37.1693 -52.2808 TIMING: 245800 CPU: 726.936, 0.00292723/step Wall: 726.936, 0.00292723/step, 3.86573 hours remaining, 204.214844 MB of memory in use. ENERGY: 245800 761.3685 2100.5535 1958.6342 124.2474 -205623.9636 17579.1411 0.0000 0.0000 34058.4858 -149041.5331 297.4412 -183100.0189 -148941.3943 300.1105 -48.7050 -17.7198 556374.5184 18.0552 17.9829 PRESSURE: 246000 38.2226 -106.879 33.4449 -106.878 -228.69 -44.8657 33.4451 -44.8641 -79.2485 GPRESSURE: 246000 50.3715 -3.29861 -1.05117 -99.8781 -210.195 -10.2396 10.8136 -75.9651 -22.2168 PRESSAVG: 246000 -92.7298 -7.20762 26.5143 -7.20756 93.2403 -29.7784 26.5143 -29.7783 -4.85125 GPRESSAVG: 246000 -92.2667 -6.86497 29.8135 -9.14083 93.7664 -31.2316 24.1005 -29.1439 -5.72983 TIMING: 246000 CPU: 727.525, 0.00294777/step Wall: 727.525, 0.00294777/step, 3.89269 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: 246000 735.6157 2144.4144 1937.4569 128.5305 -205900.9197 17585.4342 0.0000 0.0000 34286.2082 -149083.2598 299.4300 -183369.4680 -148994.1444 299.3932 -89.9052 -60.6801 556060.7596 -1.4469 -1.4101 PRESSURE: 246200 -220.38 30.0832 4.0136 30.0835 242.304 24.1409 4.01231 24.1401 -204.182 GPRESSURE: 246200 -232.526 -31.3889 6.51783 95.4918 237.606 21.8727 18.6197 -46.8339 -79.8165 PRESSAVG: 246200 -65.0011 -57.8565 53.7691 -57.8565 66.0467 -6.6384 53.7691 -6.6384 22.5794 GPRESSAVG: 246200 -65.1538 -57.2375 54.4449 -55.9363 66.1341 -6.02046 53.7355 -5.58581 22.6031 TIMING: 246200 CPU: 728.111, 0.00292871/step Wall: 728.111, 0.00292871/step, 3.86736 hours remaining, 204.214844 MB of memory in use. ENERGY: 246200 701.9151 2124.6730 1947.7638 117.6371 -206096.0144 17656.9098 0.0000 0.0000 34273.6406 -149273.4750 299.3202 -183547.1155 -149174.3589 299.4750 -60.7527 -24.9123 556203.1176 7.8750 7.8611 PRESSURE: 246400 -53.7904 -14.0995 -20.4141 -14.0992 -76.2726 78.6655 -20.4145 78.6654 -184.167 GPRESSURE: 246400 10.3758 -55.0046 -44.1699 -36.8893 -56.4234 59.4645 -51.9551 94.5792 -159.497 PRESSAVG: 246400 -1.61452 3.00669 19.2058 3.00673 52.9853 44.4559 19.2059 44.4559 -41.3231 GPRESSAVG: 246400 -1.53874 2.30707 17.4823 3.15771 53.5318 43.9967 19.3954 42.5728 -42.5918 TIMING: 246400 CPU: 728.696, 0.00292241/step Wall: 728.696, 0.00292241/step, 3.85888 hours remaining, 204.214844 MB of memory in use. ENERGY: 246400 747.3456 2121.3874 1967.3022 111.3708 -206328.7934 17702.4546 0.0000 0.0000 34367.2681 -149311.6647 300.1379 -183678.9328 -149218.4572 299.3270 -104.7434 -68.5148 555856.3871 3.3492 3.1338 PRESSURE: 246600 21.8038 -153.89 -16.4456 -153.891 153.225 161.968 -16.4467 161.969 -203.049 GPRESSURE: 246600 45.2094 -135.174 -46.562 -163.675 221.371 216.183 0.809721 218.048 -193.423 PRESSAVG: 246600 17.0502 -16.8321 -1.2999 -16.8321 62.2964 22.743 -1.29994 22.743 -56.3529 GPRESSAVG: 246600 16.7542 -17.523 -0.733997 -16.338 62.5473 21.8167 0.0141885 25.1594 -55.99 TIMING: 246600 CPU: 729.284, 0.00294007/step Wall: 729.284, 0.00294007/step, 3.88203 hours remaining, 204.214844 MB of memory in use. ENERGY: 246600 800.8168 2119.4007 1948.4691 116.2024 -206042.7844 17810.3603 0.0000 0.0000 34166.2009 -149081.3342 298.3819 -183247.5351 -148991.1269 300.0382 -9.3401 24.3859 556003.3928 7.6646 7.7705 PRESSURE: 246800 48.785 -91.8572 -25.4301 -91.8583 28.4067 137.204 -25.4283 137.204 -55.5905 GPRESSURE: 246800 125.677 -95.389 -83.7722 -111.703 1.74824 113.589 -33.3157 155.295 -6.16914 PRESSAVG: 246800 22.6019 -62.1076 -26.4828 -62.1077 -17.4799 49.3695 -26.4828 49.3696 -23.159 GPRESSAVG: 246800 22.5958 -63.0224 -26.8198 -63.7309 -18.4208 50.3272 -26.4537 48.1947 -22.3652 TIMING: 246800 CPU: 729.875, 0.00295778/step Wall: 729.875, 0.00295778/step, 3.90526 hours remaining, 204.214844 MB of memory in use. ENERGY: 246800 732.3066 2093.0905 1977.9523 124.6057 -206069.8231 17886.3989 0.0000 0.0000 34308.1005 -148947.3686 299.6212 -183255.4691 -148848.4177 299.4652 7.2004 40.4187 556165.1687 -6.0124 -6.0634 PRESSURE: 247000 -176.911 -76.8098 -41.7954 -76.8098 -295.626 18.0289 -41.794 18.0288 -109.281 GPRESSURE: 247000 -196.053 29.7231 -19.8555 -77.1899 -231.882 -8.05551 72.5603 67.9767 -47.1136 PRESSAVG: 247000 2.61793 -6.41743 -92.7422 -6.41739 -44.0821 -40.5663 -92.7422 -40.5664 36.8603 GPRESSAVG: 247000 3.71884 -4.94281 -92.4105 -4.69159 -43.4446 -40.0794 -92.9148 -42.1967 35.4643 TIMING: 247000 CPU: 730.471, 0.00297891/step Wall: 730.471, 0.00297891/step, 3.93299 hours remaining, 204.214844 MB of memory in use. ENERGY: 247000 758.5091 2086.3029 1961.9038 124.3167 -205589.5057 17465.2483 0.0000 0.0000 34599.1327 -148594.0922 302.1628 -183193.2249 -148489.4767 300.8504 -193.9394 -158.3497 558573.0498 -1.5346 -1.4205 PRESSURE: 247200 -187.703 40.9531 5.5056 40.9544 -190.029 -97.2482 5.50657 -97.249 -25.4832 GPRESSURE: 247200 -128.637 51.4584 -12.5501 4.66082 -171.441 -43.3012 9.78155 -187.302 -15.4976 PRESSAVG: 247200 39.283 10.687 -46.8216 10.687 -11.2544 -46.6762 -46.8216 -46.6763 35.012 GPRESSAVG: 247200 37.1865 9.94088 -45.9324 9.86542 -10.8434 -47.1591 -46.793 -45.9229 36.4171 TIMING: 247200 CPU: 731.064, 0.00296283/step Wall: 731.064, 0.00296283/step, 3.9116 hours remaining, 204.214844 MB of memory in use. ENERGY: 247200 780.7720 2100.8890 1963.8715 126.5969 -205660.3152 17485.2893 0.0000 0.0000 34428.4532 -148774.4434 300.6722 -183202.8966 -148679.3341 301.0435 -134.4050 -105.1917 557095.0592 21.0135 20.9201 PRESSURE: 247400 -74.2805 -1.74063 33.0619 -1.74154 112.378 78.8448 33.062 78.844 -35.5468 GPRESSURE: 247400 -63.8881 74.5383 -3.01974 -10.4247 133.9 127.534 105.528 58.0599 29.1019 PRESSAVG: 247400 59.4642 45.6065 -29.1549 45.6066 -36.2402 -30.7464 -29.1549 -30.7464 -18.2051 GPRESSAVG: 247400 60.3295 46.5681 -30.8083 44.4963 -37.0711 -29.0555 -28.821 -30.5368 -18.4535 TIMING: 247400 CPU: 731.653, 0.00294798/step Wall: 731.653, 0.00294798/step, 3.89182 hours remaining, 204.214844 MB of memory in use. ENERGY: 247400 752.4014 2081.5531 1946.1445 110.8548 -205543.1840 17673.8492 0.0000 0.0000 34289.5231 -148688.8579 299.4589 -182978.3810 -148597.9724 300.7041 0.8503 33.0380 558572.9199 1.6730 1.6016 PRESSURE: 247600 -54.4386 -120.586 -208.412 -120.587 -314.028 -3.75986 -208.412 -3.76049 -341.22 GPRESSURE: 247600 -79.6872 -29.9541 -113.969 -75.5813 -227.101 -64.2015 -246.659 71.6911 -314.973 PRESSAVG: 247600 5.34416 36.5319 -6.22993 36.532 79.0017 -60.2539 -6.22984 -60.254 -72.1732 GPRESSAVG: 247600 5.00904 36.0567 -5.17821 36.3548 79.8475 -60.6665 -6.36862 -58.5451 -72.7035 TIMING: 247600 CPU: 732.243, 0.00294903/step Wall: 732.243, 0.00294903/step, 3.89305 hours remaining, 204.214844 MB of memory in use. ENERGY: 247600 769.3159 2128.3700 1959.2408 95.6609 -205539.2127 17470.6233 0.0000 0.0000 34333.9087 -148782.0932 299.8466 -183116.0019 -148684.1571 301.2146 -236.5620 -207.2539 559004.7120 4.0575 4.0510 PRESSURE: 247800 -86.9168 6.84705 22.8151 6.84599 -3.51042 -112.004 22.8148 -112.005 -153.272 GPRESSURE: 247800 -49.3542 -31.9905 41.4227 24.5542 77.9283 -173.891 33.985 -142.699 -163.248 PRESSAVG: 247800 14.1967 -3.63417 -55.9991 -3.63408 9.41083 26.7899 -55.9992 26.7901 -28.1187 GPRESSAVG: 247800 15.5216 -4.66479 -56.3744 -2.80976 8.54417 25.5433 -56.7106 26.8725 -28.2656 TIMING: 247800 CPU: 732.837, 0.00297004/step Wall: 732.837, 0.00297004/step, 3.92062 hours remaining, 204.214844 MB of memory in use. ENERGY: 247800 769.1113 2077.0329 1939.4001 101.1657 -206091.2752 17776.5624 0.0000 0.0000 34727.0868 -148700.9161 303.2803 -183428.0028 -148602.6415 300.8305 -81.2331 -44.8912 558678.4161 -1.5037 -1.4000 PRESSURE: 248000 66.5713 -65.4545 153.727 -65.4553 175.215 -18.7486 153.727 -18.7477 40.1975 GPRESSURE: 248000 87.8963 -51.3121 200.939 -45.9564 203.903 -68.2505 173.36 34.3126 88.0888 PRESSAVG: 248000 -13.4875 -28.9577 56.1468 -28.9578 8.71928 -27.7194 56.1468 -27.7193 -19.2751 GPRESSAVG: 248000 -13.6368 -29.7279 53.341 -26.2454 8.29797 -26.1865 57.0522 -30.6173 -18.0394 TIMING: 248000 CPU: 733.428, 0.00295293/step Wall: 733.428, 0.00295293/step, 3.89787 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: 248000 757.0589 2090.5373 1966.8228 114.4361 -205935.8271 17992.6847 0.0000 0.0000 34272.9808 -148741.3066 299.3145 -183014.2874 -148646.6902 301.0594 93.9946 126.6293 559077.8845 -8.0144 -7.7927 PRESSURE: 248200 -70.2933 118.645 -171.771 118.644 -149.011 -191.257 -171.77 -191.258 20.8165 GPRESSURE: 248200 -56.7208 132.484 -198.878 174.943 -87.7544 -185.666 -145.093 -105.637 27.229 PRESSAVG: 248200 2.00406 23.0181 11.9522 23.0182 -11.1749 -60.2259 11.9524 -60.226 10.6644 GPRESSAVG: 248200 2.16526 26.6999 12.9263 19.8973 -9.71574 -60.2054 12.5064 -58.4899 9.38219 TIMING: 248200 CPU: 734.015, 0.00293662/step Wall: 734.015, 0.00293662/step, 3.87618 hours remaining, 204.214844 MB of memory in use. ENERGY: 248200 752.8174 2084.0746 1962.9544 109.5258 -205592.4519 17645.3025 0.0000 0.0000 34227.6930 -148810.0842 298.9190 -183037.7772 -148712.2424 300.8764 -66.1625 -39.0821 557906.0401 0.4978 0.6106 LDB: ============= START OF LOAD BALANCING ============== 737.441 LDB: ============== END OF LOAD BALANCING =============== 737.441 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 737.443 LDB: ============= START OF LOAD BALANCING ============== 737.74 LDB: Largest compute 4848 load 0.032126 is 27.3% of average load 0.117807 LDB: Average compute 0.001744 is 1.5% of average load 0.117807 LDB: TIME 737.742 LOAD: AVG 0.117807 MAX 0.19864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.52 MB LDB: TIME 737.743 LOAD: AVG 0.117807 MAX 0.19864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: TIME 737.743 LOAD: AVG 0.117807 MAX 0.19864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 737.745 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 737.749 PRESSURE: 248400 -33.6544 63.2896 133.507 63.2895 -13.3009 73.4706 133.506 73.4704 -259.765 GPRESSURE: 248400 8.64114 178.875 223.43 74.0765 26.2304 69.4306 69.9003 124.207 -243.328 PRESSAVG: 248400 -4.85219 86.5505 -19.8945 86.5505 -15.3161 16.9151 -19.8945 16.9152 12.7067 GPRESSAVG: 248400 -4.68454 83.88 -17.8786 89.9996 -15.3214 16.9565 -23.7529 17.0133 12.9066 TIMING: 248400 CPU: 734.619, 0.0030213/step Wall: 734.619, 0.0030213/step, 3.98778 hours remaining, 203.582031 MB of memory in use. ENERGY: 248400 730.9705 2135.7580 1944.7829 132.5188 -205682.1866 17544.2145 0.0000 0.0000 34365.1879 -148828.7540 300.1197 -183193.9420 -148728.6221 300.2673 -102.2400 -69.4855 558546.2182 -2.4872 -2.3664 PRESSURE: 248600 -202.745 9.71338 6.29365 9.71285 -118.652 39.6173 6.29473 39.6155 -228.344 GPRESSURE: 248600 -186.885 142.687 91.8609 -34.7903 -79.5827 143.353 -16.5706 57.7335 -177.041 PRESSAVG: 248600 -10.3439 -43.7724 49.1591 -43.7725 -17.2555 69.0064 49.1591 69.0063 35.5748 GPRESSAVG: 248600 -10.1703 -42.8386 48.8909 -46.0368 -17.1386 69.1244 51.3612 68.3647 35.3105 TIMING: 248600 CPU: 735.211, 0.00295832/step Wall: 735.211, 0.00295832/step, 3.90449 hours remaining, 203.582031 MB of memory in use. ENERGY: 248600 742.2137 2110.1884 1943.5141 109.3066 -205633.8953 17346.3415 0.0000 0.0000 34232.8126 -149149.5185 298.9637 -183382.3310 -149048.1780 300.1907 -183.2471 -147.8360 558261.2587 2.6585 2.6672 PRESSURE: 248800 -291.876 -29.2298 -70.3663 -29.2296 236.315 -3.29582 -70.3672 -3.29473 -101.661 GPRESSURE: 248800 -263.63 -32.9606 -58.9077 -42.2328 276.804 -81.1524 -25.7076 25.8971 -59.2019 PRESSAVG: 248800 -0.672035 29.8015 -4.78927 29.8016 -7.75859 45.6111 -4.78927 45.6111 -28.783 GPRESSAVG: 248800 -1.57142 29.6981 -5.89992 28.8706 -6.8524 45.5451 -4.00273 44.3814 -28.4125 TIMING: 248800 CPU: 735.804, 0.00296708/step Wall: 735.804, 0.00296708/step, 3.91589 hours remaining, 203.582031 MB of memory in use. ENERGY: 248800 743.7759 2061.5378 1938.7106 102.1031 -205860.7846 17592.5195 0.0000 0.0000 34443.7852 -148978.3524 300.8061 -183422.1376 -148876.6737 298.9805 -52.4074 -15.3427 557147.6343 -12.4046 -12.2788 PRESSURE: 249000 46.9882 -138.473 -39.7122 -138.475 -121.215 -50.4331 -39.7117 -50.4311 75.9703 GPRESSURE: 249000 65.4947 -222.892 -59.8349 -33.8395 -42.6259 -83.6464 -88.7887 -31.5837 74.5869 PRESSAVG: 249000 -80.0948 51.955 -38.6223 51.955 80.0974 20.7235 -38.6224 20.7235 14.3584 GPRESSAVG: 249000 -78.5446 51.4358 -40.1356 53.0392 78.3318 20.0298 -38.1716 20.8537 14.8011 TIMING: 249000 CPU: 736.403, 0.0029926/step Wall: 736.403, 0.0029926/step, 3.9494 hours remaining, 203.582031 MB of memory in use. ENERGY: 249000 763.8861 2069.7315 1946.1491 101.2423 -205911.3435 17757.9084 0.0000 0.0000 34162.3616 -149110.0647 298.3484 -183272.4263 -149011.4818 300.2630 0.5811 32.4852 557511.7703 4.7870 4.8628 PRESSURE: 249200 162.211 30.7457 104.282 30.7465 -229.588 -23.7353 104.283 -23.7351 43.2756 GPRESSURE: 249200 195.8 63.7371 52.311 -29.3451 -151.976 -21.977 140.17 -53.6569 31.4817 PRESSAVG: 249200 34.3016 -4.84403 53.4282 -4.84405 -39.9479 -2.35095 53.4282 -2.35095 -26.2643 GPRESSAVG: 249200 32.8398 -3.14231 55.9543 -7.07008 -38.4456 -1.4897 50.9676 -0.585423 -26.0232 TIMING: 249200 CPU: 736.992, 0.00294775/step Wall: 736.992, 0.00294775/step, 3.89005 hours remaining, 203.652344 MB of memory in use. ENERGY: 249200 775.8918 2073.4491 1919.6123 116.2246 -206185.6602 17875.5186 0.0000 0.0000 34173.4568 -149251.5070 298.4453 -183424.9638 -149157.1016 298.9399 -8.0340 25.1018 557612.7395 -10.6369 -10.5430 PRESSURE: 249400 168.71 115.338 -103.137 115.339 112.891 65.6613 -103.135 65.6607 137.785 GPRESSURE: 249400 233.376 143.233 -5.46853 59.5932 133.795 30.5808 -159.923 151.422 150.888 PRESSAVG: 249400 -34.0641 1.00994 -17.1328 1.00988 -7.01507 -17.5283 -17.1328 -17.5283 9.97238 GPRESSAVG: 249400 -34.2582 -0.945613 -18.103 1.9566 -6.87646 -18.5232 -15.773 -20.6979 9.74072 TIMING: 249400 CPU: 737.585, 0.00296429/step Wall: 737.585, 0.00296429/step, 3.91171 hours remaining, 203.652344 MB of memory in use. ENERGY: 249400 759.1670 2075.1339 1948.2422 111.3244 -206921.8033 18158.1930 0.0000 0.0000 34488.8224 -149380.9203 301.1995 -183869.7427 -149279.2344 299.3261 139.7954 172.6862 555773.5123 -10.3689 -10.4646 PRESSURE: 249600 -129.896 -145.469 -19.5206 -145.469 113.68 163.632 -19.5205 163.631 -242.593 GPRESSURE: 249600 -134.623 -215.764 39.9729 -82.0327 149.061 181.608 -66.7886 29.5925 -166.457 PRESSAVG: 249600 12.2681 10.9879 3.39147 10.9879 -17.1113 12.0784 3.39143 12.0783 -15.6388 GPRESSAVG: 249600 11.6629 12.3078 4.50606 9.85677 -16.9282 13.3489 2.94023 12.8901 -15.5417 TIMING: 249600 CPU: 738.175, 0.00294732/step Wall: 738.175, 0.00294732/step, 3.88915 hours remaining, 203.652344 MB of memory in use. ENERGY: 249600 756.8679 2087.1541 1963.0041 117.5467 -206435.0157 17796.8963 0.0000 0.0000 34421.1544 -149292.3922 300.6085 -183713.5466 -149199.9850 299.0375 -86.2699 -50.6730 556046.6513 -6.8273 -6.9357 PRESSURE: 249800 25.0682 11.0808 -160.051 11.0812 -21.6946 -18.834 -160.052 -18.8339 -83.8061 GPRESSURE: 249800 76.1222 77.8358 -181.309 47.1768 -45.7786 -124.295 -93.3889 6.5956 -24.9789 PRESSAVG: 249800 66.3639 28.1952 -35.2669 28.1953 3.53269 -2.71012 -35.2668 -2.71013 -61.5068 GPRESSAVG: 249800 68.1932 28.5835 -36.8415 29.0311 2.0353 -4.40614 -35.0986 -2.91792 -61.5781 TIMING: 249800 CPU: 738.769, 0.00297055/step Wall: 738.769, 0.00297055/step, 3.91964 hours remaining, 203.652344 MB of memory in use. ENERGY: 249800 752.2056 2112.3679 1959.7955 108.0383 -206216.4908 17665.9455 0.0000 0.0000 34295.7732 -149322.3648 299.5135 -183618.1380 -149223.7413 299.1830 -26.8108 1.7882 557140.5604 2.7966 2.8835 PRESSURE: 250000 103.645 -122.3 89.2673 -122.301 -134.83 -84.2201 89.2675 -84.2209 -120.424 GPRESSURE: 250000 168.621 -94.4099 45.4171 -109.151 -92.3285 -39.5608 95.0539 -54.8057 -147.291 PRESSAVG: 250000 9.82994 -32.4246 68.1075 -32.4245 18.5646 35.1733 68.1075 35.1734 3.89214 GPRESSAVG: 250000 10.5713 -35.7675 68.1947 -31.2838 18.8858 35.2172 68.1762 35.471 2.56812 TIMING: 250000 CPU: 739.358, 0.00294669/step Wall: 739.358, 0.00294669/step, 3.888 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: 250000 752.7230 2061.4909 1943.8888 113.2548 -206319.9036 17892.6192 0.0000 0.0000 34194.6774 -149361.2494 298.6306 -183555.9269 -149259.9525 298.8950 -50.5364 -23.6662 558604.3947 10.7622 10.6751 PRESSURE: 250200 96.9482 106.827 -4.30979 106.828 -2.39791 34.2881 -4.30809 34.2888 3.18049 GPRESSURE: 250200 130.706 44.408 90.845 131.685 17.8293 21.2534 -22.5433 16.8769 43.8039 PRESSAVG: 250200 37.0943 3.96799 -10.0169 3.96802 3.80928 -6.28379 -10.017 -6.28373 -37.5764 GPRESSAVG: 250200 35.2041 6.05399 -9.70507 2.07309 4.8197 -3.75249 -10.6144 -6.02545 -37.1262 TIMING: 250200 CPU: 739.953, 0.00297489/step Wall: 739.953, 0.00297488/step, 3.92503 hours remaining, 203.652344 MB of memory in use. ENERGY: 250200 711.7611 2118.3683 1957.8824 103.3888 -206105.2109 17742.6304 0.0000 0.0000 34182.9236 -149288.2562 298.5280 -183471.1798 -149198.7969 298.3336 32.5769 64.1132 556825.0694 1.1091 0.9659 PRESSURE: 250400 18.3376 -27.3519 140.216 -27.3522 52.2002 -33.3116 140.215 -33.3123 -147.041 GPRESSURE: 250400 108.653 -63.7961 70.634 10.687 11.4371 -64.9581 166.884 -88.0714 -89.3684 PRESSAVG: 250400 -14.0568 8.04213 54.9738 8.04213 -31.8921 -53.5751 54.9739 -53.5752 16.5883 GPRESSAVG: 250400 -13.7635 8.14232 55.0683 7.49976 -32.0424 -55.5928 55.3407 -55.3721 16.8202 TIMING: 250400 CPU: 740.543, 0.00294727/step Wall: 740.543, 0.00294728/step, 3.88844 hours remaining, 203.652344 MB of memory in use. ENERGY: 250400 783.0376 2096.6311 1944.0405 119.9699 -206945.5396 18001.0875 0.0000 0.0000 34575.5412 -149425.2317 301.9568 -184000.7729 -149329.4132 299.0494 -25.5011 10.2405 556621.9994 -9.7869 -9.6619 PRESSURE: 250600 -152.143 7.32681 -30.3963 7.32526 -139.082 78.7471 -30.3971 78.7483 -214.999 GPRESSURE: 250600 -132.524 5.48151 -29.0444 -23.7177 -85.2443 56.3058 1.78406 -6.55909 -190.233 PRESSAVG: 250600 -27.0109 -25.9981 -4.13382 -25.998 4.00227 -15.0897 -4.13378 -15.0896 14.0432 GPRESSAVG: 250600 -26.3466 -24.9811 -3.23057 -26.8175 3.54655 -14.4666 -6.40212 -15.0687 14.3545 TIMING: 250600 CPU: 741.14, 0.00298966/step Wall: 741.14, 0.00298966/step, 3.94419 hours remaining, 203.855469 MB of memory in use. ENERGY: 250600 770.4380 2038.3319 1960.3154 122.6208 -206128.1674 17504.5273 0.0000 0.0000 34398.5432 -149333.3909 300.4110 -183731.9341 -149231.7352 299.2526 -168.7413 -136.0004 556178.0038 -2.9885 -2.8152 PRESSURE: 250800 152.594 -174.237 -114.644 -174.237 44.4579 -46.0153 -114.643 -46.0163 -5.44147 GPRESSURE: 250800 198.03 -119.243 -58.2625 -258.996 55.3317 -84.9907 -28.8007 42.0246 26.2563 PRESSAVG: 250800 -7.2325 10.0726 17.0534 10.0726 -5.61458 20.2888 17.0535 20.2889 -4.22224 GPRESSAVG: 250800 -7.82515 8.42942 15.5122 12.5244 -5.63422 19.8345 20.6207 20.8248 -4.0738 TIMING: 250800 CPU: 741.731, 0.00295364/step Wall: 741.731, 0.00295364/step, 3.89651 hours remaining, 203.855469 MB of memory in use. ENERGY: 250800 749.2007 2125.2671 1944.2786 112.5139 -206364.0194 17688.7089 0.0000 0.0000 34392.2004 -149351.8498 300.3556 -183744.0501 -149257.9213 299.6300 63.8701 93.2060 555537.6437 -5.6898 -5.8444 PRESSURE: 251000 24.7191 51.5488 -58.1041 51.5478 -118.933 -97.3235 -58.1036 -97.3247 -83.3967 GPRESSURE: 251000 26.1691 88.2077 -58.2057 106.791 -14.8132 -24.5434 -110.51 -171.756 -82.5679 PRESSAVG: 251000 -54.3167 -6.93364 -14.2421 -6.93372 33.9162 12.3213 -14.2421 12.3213 39.1127 GPRESSAVG: 251000 -53.8471 -5.04782 -15.0498 -7.84837 35.8161 13.2561 -15.8497 12.4595 37.4175 TIMING: 251000 CPU: 742.322, 0.00295509/step Wall: 742.322, 0.00295509/step, 3.89826 hours remaining, 203.855469 MB of memory in use. ENERGY: 251000 751.8599 2072.7393 1938.3085 111.3011 -206281.5125 17775.3819 0.0000 0.0000 34183.4731 -149448.4488 298.5328 -183631.9219 -149346.5151 299.1225 -59.2035 -23.7373 557699.8152 6.2374 6.4622 PRESSURE: 251200 -83.4065 208.129 17.41 208.128 -382.728 -67.5338 17.4104 -67.5349 231.852 GPRESSURE: 251200 -71.4676 199.692 -96.6934 279.918 -286.831 -47.2966 202.2 -28.0487 231.189 PRESSAVG: 251200 -90.8984 -8.40998 -3.82503 -8.40995 49.8831 54.031 -3.82499 54.0309 7.15828 GPRESSAVG: 251200 -89.8402 -9.63301 -5.1549 -7.12814 49.4646 53.3983 -2.16018 54.2344 6.3416 TIMING: 251200 CPU: 742.915, 0.00296303/step Wall: 742.915, 0.00296303/step, 3.90857 hours remaining, 203.855469 MB of memory in use. ENERGY: 251200 731.1354 2049.6217 1967.3854 117.3940 -206314.5349 17680.3167 0.0000 0.0000 34145.1988 -149623.4828 298.1985 -183768.6817 -149528.7398 298.4810 -78.0942 -42.3697 556946.3903 -11.2857 -11.3447 PRESSURE: 251400 88.8419 -232.126 -253.564 -232.126 -169.447 -17.6606 -253.562 -17.6637 -195.681 GPRESSURE: 251400 116.891 -268.138 -170.804 -256.762 -121.718 10.6741 -205.112 4.44716 -179.107 PRESSAVG: 251400 38.4848 8.0336 9.06224 8.03357 -26.8581 30.6143 9.06217 30.6143 0.462101 GPRESSAVG: 251400 37.1091 8.82363 12.2494 7.38643 -27.143 29.1009 6.38058 29.9501 2.29703 TIMING: 251400 CPU: 743.505, 0.0029505/step Wall: 743.505, 0.0029505/step, 3.89188 hours remaining, 203.855469 MB of memory in use. ENERGY: 251400 770.8825 2088.5593 1924.9658 116.7660 -206384.4197 17629.6055 0.0000 0.0000 34176.4413 -149677.1993 298.4714 -183853.6406 -149585.7084 298.2522 -92.0954 -61.3114 556688.8640 4.0296 4.0877 PRESSURE: 251600 -0.479033 33.4047 -65.816 33.4046 -106.265 -126.505 -65.8163 -126.505 -196.596 GPRESSURE: 251600 -5.56118 -15.2618 -37.175 48.4882 -22.9705 -202.776 -109.389 -118.177 -177.578 PRESSAVG: 251600 11.0514 12.9615 -7.78717 12.9614 -39.7728 31.7613 -7.78711 31.7611 -20.8949 GPRESSAVG: 251600 11.8055 11.6373 -8.64454 12.7193 -40.177 32.2986 -6.661 32.8312 -21.2794 TIMING: 251600 CPU: 744.092, 0.00293392/step Wall: 744.092, 0.00293392/step, 3.86984 hours remaining, 203.855469 MB of memory in use. ENERGY: 251600 750.4454 2132.8081 1972.5651 107.0528 -206600.6821 17898.3142 0.0000 0.0000 34080.9668 -149658.5298 297.6376 -183739.4966 -149570.7442 297.9054 -101.1132 -68.7032 557780.0896 -16.5388 -16.5503 PRESSURE: 251800 -408.395 -20.3996 7.49392 -20.4006 -128.359 -138.142 7.49369 -138.143 33.3274 GPRESSURE: 251800 -335.958 23.4934 -68.5934 -63.6349 -92.5597 -95.9522 81.7363 -160.662 31.6454 PRESSAVG: 251800 -36.539 1.04798 80.9875 1.04795 65.627 8.73291 80.9876 8.73279 -14.3397 GPRESSAVG: 251800 -37.1161 2.01898 80.9822 1.24002 66.3389 10.0206 81.0635 9.25594 -14.1206 TIMING: 251800 CPU: 744.687, 0.00297674/step Wall: 744.687, 0.00297674/step, 3.92615 hours remaining, 203.855469 MB of memory in use. ENERGY: 251800 793.9177 2078.0219 1947.7171 119.1057 -206125.4833 17604.4385 0.0000 0.0000 33944.0883 -149638.1942 296.4422 -183582.2825 -149535.9530 298.5723 -167.8088 -132.2907 558986.2647 4.9161 5.0340 PRESSURE: 252000 -142.271 -54.9308 -106.46 -54.9308 -94.1236 -55.1732 -106.459 -55.1725 -238.473 GPRESSURE: 252000 -83.031 -92.708 -96.466 -13.6056 -103.761 5.08307 -19.4604 -59.5667 -175.671 PRESSAVG: 252000 -12.2747 33.6878 -27.1893 33.6879 -47.3046 36.7699 -27.1893 36.7699 82.765 GPRESSAVG: 252000 -12.6562 32.1925 -28.416 33.6413 -48.0609 36.3195 -27.6645 37.3464 83.5317 TIMING: 252000 CPU: 745.281, 0.00296765/step Wall: 745.281, 0.00296765/step, 3.914 hours remaining, 203.855469 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: 252000 759.8206 2092.5332 1943.1412 102.3286 -206410.1493 17803.0402 0.0000 0.0000 34152.9717 -149556.3137 298.2664 -183709.2854 -149459.2322 297.6595 -158.2892 -120.8211 558109.4325 7.7285 7.6049 PRESSURE: 252200 109.871 74.2122 -18.2585 74.2119 -46.1145 -76.0886 -18.2581 -76.087 127.435 GPRESSURE: 252200 149.26 23.3491 -122.21 113.467 20.4656 -153.381 -0.862818 6.81886 138.977 PRESSAVG: 252200 -35.8513 -11.339 -56.5212 -11.3389 -11.156 -12.2025 -56.5212 -12.2026 6.36975 GPRESSAVG: 252200 -35.6541 -9.42028 -55.2221 -12.5162 -10.9653 -11.8364 -55.5455 -13.4694 5.55524 TIMING: 252200 CPU: 745.873, 0.00296406/step Wall: 745.873, 0.00296406/step, 3.90911 hours remaining, 203.855469 MB of memory in use. ENERGY: 252200 737.8818 2116.5234 1948.6873 108.0299 -206584.4426 18015.0873 0.0000 0.0000 34308.6502 -149349.5827 299.6260 -183658.2329 -149250.1702 298.0221 63.7304 102.9011 558065.0604 -13.5459 -13.6881 LDB: ============= START OF LOAD BALANCING ============== 749.303 LDB: ============== END OF LOAD BALANCING =============== 749.303 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 749.304 LDB: ============= START OF LOAD BALANCING ============== 749.6 LDB: Largest compute 4848 load 0.030342 is 25.8% of average load 0.117804 LDB: Average compute 0.001734 is 1.5% of average load 0.117804 LDB: TIME 749.603 LOAD: AVG 0.117804 MAX 0.19804 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.379 MB LDB: TIME 749.603 LOAD: AVG 0.117804 MAX 0.19804 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.621 MB LDB: TIME 749.603 LOAD: AVG 0.117804 MAX 0.19804 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.621 MB LDB: ============== END OF LOAD BALANCING =============== 749.605 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 749.609 PRESSURE: 252400 -120.687 15.1807 40.4367 15.181 -60.4796 -86.5154 40.438 -86.5132 -363.915 GPRESSURE: 252400 -108.901 6.00319 -53.8086 56.7313 -44.3476 -142.147 24.849 -85.5026 -297.974 PRESSAVG: 252400 -32.4143 -25.2019 -75.2641 -25.2019 49.3012 -29.1455 -75.2642 -29.1454 -49.4617 GPRESSAVG: 252400 -33.0962 -27.2189 -76.3366 -22.4476 49.2826 -30.3843 -74.8403 -31.1778 -48.8197 TIMING: 252400 CPU: 746.479, 0.00302866/step Wall: 746.479, 0.00302866/step, 3.99413 hours remaining, 202.179688 MB of memory in use. ENERGY: 252400 755.8765 2127.5457 1926.5123 110.6188 -206169.5145 17758.3121 0.0000 0.0000 34221.9333 -149268.7158 298.8687 -183490.6491 -149165.7442 299.0059 -181.6938 -150.4077 559391.0819 -10.8583 -10.8778 PRESSURE: 252600 -98.8635 -6.71625 -78.6248 -6.7157 58.2253 107.94 -78.6239 107.939 20.2734 GPRESSURE: 252600 -58.4739 -14.7536 -30.1429 -11.014 55.5972 174.264 -72.5834 80.9885 78.701 PRESSAVG: 252600 51.2511 48.3042 -16.8211 48.3041 -46.6448 -12.0483 -16.8211 -12.0484 -27.4436 GPRESSAVG: 252600 51.4441 49.2225 -15.5867 47.7696 -47.1431 -11.3338 -17.5755 -10.0674 -27.4583 TIMING: 252600 CPU: 747.07, 0.0029557/step Wall: 747.07, 0.0029557/step, 3.89775 hours remaining, 202.179688 MB of memory in use. ENERGY: 252600 704.8396 2090.4599 1981.1312 116.3187 -206212.8875 17867.9468 0.0000 0.0000 34231.5008 -149220.6906 298.9522 -183452.1914 -149110.6022 298.9613 -6.7883 25.2748 558106.1747 -7.6124 -7.7191 PRESSURE: 252800 -60.8661 -44.204 -38.9447 -44.2037 -85.6705 -140.923 -38.9461 -140.922 -308.112 GPRESSURE: 252800 -33.6398 -57.173 -151.364 -96.3777 -40.7345 -104.634 -24.3655 -190.305 -280.559 PRESSAVG: 252800 5.24445 -26.0906 13.9897 -26.0906 20.2917 25.1109 13.9896 25.111 -33.0063 GPRESSAVG: 252800 6.60611 -26.6773 13.1751 -27.4043 20.2135 25.0677 13.5332 26.0654 -33.5813 TIMING: 252800 CPU: 747.663, 0.00296259/step Wall: 747.663, 0.00296258/step, 3.90666 hours remaining, 202.179688 MB of memory in use. ENERGY: 252800 729.1713 2097.3975 1946.8220 126.7544 -205750.4300 17463.9165 0.0000 0.0000 34373.0110 -149013.3573 300.1881 -183386.3683 -148918.2813 300.2330 -151.5494 -118.3109 558272.9514 -2.4900 -2.2539 PRESSURE: 253000 -190.14 37.5332 32.9026 37.533 -108.236 144.173 32.9032 144.174 83.4892 GPRESSURE: 253000 -162.562 61.8083 52.0038 66.4337 -95.1847 118.524 73.0434 135.146 137.808 PRESSAVG: 253000 64.3517 -37.7374 -47.9913 -37.7374 -80.9697 2.31671 -47.9912 2.31675 23.7821 GPRESSAVG: 253000 64.2258 -36.9511 -48.1577 -38.5909 -81.3083 0.461328 -46.913 0.486212 24.3414 TIMING: 253000 CPU: 748.25, 0.00293757/step Wall: 748.25, 0.00293757/step, 3.87352 hours remaining, 202.179688 MB of memory in use. ENERGY: 253000 751.8354 2101.1346 1957.2621 118.6039 -205996.8493 17741.6524 0.0000 0.0000 34225.8835 -149100.4775 298.9032 -183326.3609 -149006.3203 299.4853 -71.6289 -39.9794 558054.9423 2.3880 2.4196 PRESSURE: 253200 -177.805 -109.65 126.617 -109.65 -52.4606 -56.2115 126.616 -56.2125 289.817 GPRESSURE: 253200 -115.541 -82.495 188.965 -159.528 -71.1594 -13.2346 124.746 -69.1438 346.599 PRESSAVG: 253200 88.3627 -18.7687 22.3895 -18.7686 -5.06395 4.38532 22.3896 4.38519 -20.3668 GPRESSAVG: 253200 87.3883 -18.1013 23.7891 -19.4986 -3.80915 5.80105 21.9237 5.48515 -20.3914 TIMING: 253200 CPU: 748.845, 0.0029728/step Wall: 748.845, 0.0029728/step, 3.9198 hours remaining, 202.179688 MB of memory in use. ENERGY: 253200 722.0079 2107.8050 1974.0511 121.7600 -206243.3811 17813.7923 0.0000 0.0000 34341.4398 -149162.5250 299.9123 -183503.9649 -149064.8870 299.2622 19.8506 53.2996 557798.4043 20.9773 21.0626 PRESSURE: 253400 -45.2262 -50.4847 109.232 -50.4854 -81.9761 -38.2149 109.232 -38.2168 -111.176 GPRESSURE: 253400 18.6278 -47.2043 5.43417 -19.981 -103.363 12.8109 102.277 -93.251 -58.1881 PRESSAVG: 253400 -76.6383 -34.9581 49.5707 -34.9581 30.982 -8.37185 49.5707 -8.37185 49.4474 GPRESSAVG: 253400 -75.7728 -35.7253 48.7494 -35.0178 29.1347 -9.33423 48.236 -9.86166 50.2602 TIMING: 253400 CPU: 749.432, 0.00293519/step Wall: 749.432, 0.00293519/step, 3.87005 hours remaining, 202.179688 MB of memory in use. ENERGY: 253400 772.6498 2157.4231 1965.8081 125.4984 -206200.4721 17710.5737 0.0000 0.0000 34400.0765 -149068.4426 300.4244 -183468.5191 -148979.8429 299.7934 -79.4594 -47.6410 556958.6955 1.2637 1.2074 PRESSURE: 253600 -54.8697 17.9932 70.6846 17.9938 199.134 -19.0387 70.6856 -19.0375 109.6 GPRESSURE: 253600 -35.9885 9.10188 -4.27705 42.4052 237.453 96.7372 80.5225 -53.6331 128.781 PRESSAVG: 253600 31.3801 -33.8756 15.7139 -33.8755 -36.1559 -35.6526 15.7139 -35.6526 -4.80346 GPRESSAVG: 253600 32.6198 -35.3834 14.7236 -34.6911 -36.144 -35.378 16.1958 -31.7459 -6.27487 TIMING: 253600 CPU: 750.021, 0.00294515/step Wall: 750.021, 0.00294515/step, 3.88302 hours remaining, 202.179688 MB of memory in use. ENERGY: 253600 759.5701 2147.8360 1973.4011 105.3366 -206264.1676 17945.4681 0.0000 0.0000 34227.5418 -149105.0138 298.9176 -183332.5556 -149010.8807 299.9071 84.6215 110.0819 558309.2367 -3.1931 -3.2663 PRESSURE: 253800 38.3548 -151.847 -61.3097 -151.848 -119.22 56.7509 -61.3087 56.7495 217.602 GPRESSURE: 253800 3.68199 -114.575 -144.709 -94.3414 -7.19927 36.6144 15.6216 87.509 226.549 PRESSAVG: 253800 42.4809 -9.23468 17.7761 -9.23468 -26.8311 33.958 17.7762 33.9581 25.9783 GPRESSAVG: 253800 40.6012 -7.99874 19.0432 -8.33902 -25.1399 33.8533 18.3169 32.5933 25.9519 TIMING: 253800 CPU: 750.609, 0.00294302/step Wall: 750.609, 0.00294302/step, 3.88005 hours remaining, 202.179688 MB of memory in use. ENERGY: 253800 755.5787 2116.3520 1977.7327 105.9049 -206437.3117 18098.1054 0.0000 0.0000 34331.6927 -149051.9454 299.8272 -183383.6381 -148951.1857 300.2859 45.5789 74.3441 557613.1235 13.8760 13.8044 PRESSURE: 254000 -63.3173 95.3231 -0.124776 95.3228 -320.515 67.0155 -0.126402 67.0164 153.775 GPRESSURE: 254000 -36.2066 195.873 35.1021 124.409 -270.997 36.5231 -81.9787 113.739 171.684 PRESSAVG: 254000 42.3035 24.4838 -30.6741 24.4838 -134.723 28.7885 -30.6742 28.7885 47.7218 GPRESSAVG: 254000 41.1187 25.3054 -30.6413 22.9242 -134.679 27.0271 -31.8467 26.9308 48.7224 TIMING: 254000 CPU: 751.199, 0.00294532/step Wall: 751.199, 0.00294532/step, 3.88291 hours remaining, 202.179688 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: 254000 736.4599 2124.1944 1966.1880 109.0292 -205823.5561 17609.4239 0.0000 0.0000 34281.0173 -148997.2436 299.3847 -183278.2608 -148904.5708 299.2946 -76.6858 -45.1730 559063.8193 -14.8992 -14.9459 PRESSURE: 254200 202.455 75.0607 47.4718 75.0616 219.932 -116.95 47.4716 -116.951 183.425 GPRESSURE: 254200 215.937 185.193 87.6731 4.69302 313.31 -56.4752 11.5568 -108.969 185.555 PRESSAVG: 254200 58.6614 18.8013 18.446 18.8011 -10.7283 -11.5242 18.4461 -11.5242 15.2477 GPRESSAVG: 254200 61.4303 17.5134 18.8473 19.2489 -12.3246 -9.53164 19.52 -8.87292 14.2078 TIMING: 254200 CPU: 751.786, 0.00293903/step Wall: 751.786, 0.00293903/step, 3.87446 hours remaining, 202.300781 MB of memory in use. ENERGY: 254200 772.5391 2100.9458 1943.5752 105.5398 -206694.5998 18338.3959 0.0000 0.0000 34393.9527 -149039.6514 300.3709 -183433.6040 -148942.2425 300.3387 201.9371 238.2677 557313.7062 21.0602 21.1045 PRESSURE: 254400 -45.3262 145.035 134.786 145.035 177.373 -163.719 134.785 -163.72 -119.642 GPRESSURE: 254400 -20.1514 152.169 53.1496 130.352 239.414 -103.358 167.978 -158.085 -104.725 PRESSAVG: 254400 -11.682 9.45351 5.56643 9.45359 7.70497 -34.9197 5.56646 -34.9197 -16.1063 GPRESSAVG: 254400 -12.7665 10.2889 3.14345 7.65716 8.45074 -33.8158 5.08967 -37.4425 -15.5876 TIMING: 254400 CPU: 752.378, 0.00295672/step Wall: 752.378, 0.00295672/step, 3.89762 hours remaining, 202.300781 MB of memory in use. ENERGY: 254400 760.5097 2103.7536 1963.7408 118.7705 -206522.8898 17859.6338 0.0000 0.0000 34573.1642 -149143.3173 301.9360 -183716.4814 -149033.4523 299.9043 4.1350 38.1792 556717.3189 -6.6944 -6.6344 PRESSURE: 254600 35.4893 -12.8646 -106.495 -12.8639 229.337 -57.8855 -106.495 -57.8864 19.7876 GPRESSURE: 254600 87.7322 -35.3304 -46.5217 -55.5458 250.842 -86.6931 -182.056 -52.7238 40.1539 PRESSAVG: 254600 30.4546 28.0121 -42.0835 28.0122 -16.6508 1.18841 -42.0836 1.18858 -18.2326 GPRESSAVG: 254600 30.5408 25.9972 -40.7649 30.0877 -15.6093 -0.92942 -41.7733 1.31342 -19.0931 TIMING: 254600 CPU: 752.97, 0.00296291/step Wall: 752.97, 0.00296291/step, 3.90561 hours remaining, 202.300781 MB of memory in use. ENERGY: 254600 733.8101 2145.1990 1938.0982 100.4245 -206199.7446 17896.4899 0.0000 0.0000 34298.3642 -149087.3587 299.5361 -183385.7229 -148998.7122 299.5505 94.8712 126.2428 557012.4870 -1.4762 -1.3872 PRESSURE: 254800 -95.912 11.7525 -3.95474 11.752 -242.438 117.448 -3.95376 117.449 -0.753388 GPRESSURE: 254800 -42.4552 67.9893 90.4204 -24.9702 -216.737 180.378 -44.3197 28.3014 19.7312 PRESSAVG: 254800 81.2366 17.1097 12.9971 17.1098 23.283 6.77335 12.997 6.77336 -85.9242 GPRESSAVG: 254800 80.3147 19.6249 12.8594 15.8758 22.8655 6.99192 13.482 8.48314 -84.4592 TIMING: 254800 CPU: 753.56, 0.002947/step Wall: 753.56, 0.002947/step, 3.88447 hours remaining, 202.300781 MB of memory in use. ENERGY: 254800 792.8093 2021.5459 1944.8075 118.4191 -205919.6104 17734.9688 0.0000 0.0000 34157.5820 -149149.4778 298.3067 -183307.0598 -149054.2231 299.6756 -113.0345 -79.8204 558152.1673 6.1985 6.2403 PRESSURE: 255000 -208.627 15.6307 134.397 15.6307 94.7416 -89.2106 134.396 -89.2109 60.1515 GPRESSURE: 255000 -211.671 -1.92813 115.385 6.01646 123.477 6.23489 67.6943 -37.4731 121.675 PRESSAVG: 255000 1.20098 42.5762 18.2621 42.5761 -1.86301 -11.5139 18.2622 -11.514 37.1115 GPRESSAVG: 255000 0.738545 40.8507 15.9388 43.5703 -1.54851 -8.9894 17.7232 -14.068 36.8362 TIMING: 255000 CPU: 754.147, 0.00293614/step Wall: 754.147, 0.00293614/step, 3.87 hours remaining, 202.300781 MB of memory in use. ENERGY: 255000 766.5139 2117.0846 1958.8129 113.3642 -206017.8588 17725.2735 0.0000 0.0000 34145.9072 -149190.9025 298.2047 -183336.8097 -149091.8173 299.2737 -17.9115 11.1605 557931.9629 12.1498 12.0088 PRESSURE: 255200 59.2722 67.3305 -66.483 67.3302 265.486 -97.5953 -66.4835 -97.5948 297.995 GPRESSURE: 255200 45.5488 97.4081 -68.4514 17.7976 321.764 -96.9616 -55.4534 -144.671 351.469 PRESSAVG: 255200 -65.2676 2.89753 11.148 2.89765 68.4647 -16.4671 11.1478 -16.4671 37.9584 GPRESSAVG: 255200 -64.6546 3.02853 11.3664 2.11826 68.2557 -19.1088 12.0942 -14.2403 37.781 TIMING: 255200 CPU: 754.733, 0.00293032/step Wall: 754.733, 0.00293032/step, 3.86216 hours remaining, 202.300781 MB of memory in use. ENERGY: 255200 746.4936 2126.3362 1967.0254 112.2482 -206400.4569 18185.3553 0.0000 0.0000 34183.8643 -149079.1339 298.5362 -183262.9982 -148981.0249 299.3997 207.5842 239.5937 558204.4919 13.7185 13.7940 PRESSURE: 255400 -220.245 -67.0698 91.6648 -67.0696 -136.365 25.7511 91.666 25.7508 -127.71 GPRESSURE: 255400 -181.59 -179.62 66.7537 51.7833 -110.316 26.996 59.1719 16.726 -97.1696 PRESSAVG: 255400 -14.9518 55.3582 -7.61136 55.3581 0.276204 -16.0626 -7.61129 -16.0626 -0.0723156 GPRESSAVG: 255400 -13.9088 54.7073 -6.64673 56.2927 -0.520553 -14.4296 -9.41271 -17.8167 0.0872468 TIMING: 255400 CPU: 755.322, 0.0029454/step Wall: 755.322, 0.0029454/step, 3.88188 hours remaining, 202.300781 MB of memory in use. ENERGY: 255400 769.8478 2127.4434 1938.4609 112.2666 -205894.4033 17732.2672 0.0000 0.0000 34276.2348 -148937.8825 299.3429 -183214.1174 -148838.7491 299.5896 -161.4396 -129.6919 559716.7182 -4.9160 -4.7807 PRESSURE: 255600 -10.7778 146.648 84.0161 146.648 139.754 -73.4707 84.0164 -73.4702 -109.68 GPRESSURE: 255600 23.207 79.0339 70.9344 121.902 138.965 -99.8008 48.6745 -96.1549 -51.1624 PRESSAVG: 255600 -39.401 27.5325 4.47282 27.5325 90.7407 1.66948 4.4729 1.66956 -56.2589 GPRESSAVG: 255600 -40.4552 26.3649 5.07063 26.8441 91.5844 0.423382 5.64847 2.03763 -55.2688 TIMING: 255600 CPU: 755.909, 0.00293357/step Wall: 755.909, 0.00293357/step, 3.86611 hours remaining, 202.300781 MB of memory in use. ENERGY: 255600 751.2171 2092.7937 1932.7709 110.3796 -206304.6967 17954.0634 0.0000 0.0000 34380.3160 -149083.1560 300.2519 -183463.4720 -148989.1057 299.8996 6.4321 37.0031 557479.1429 -1.6397 -1.3798 PRESSURE: 255800 -155.78 -7.01663 47.0089 -7.01602 -141.274 63.8118 47.0092 63.8129 48.5226 GPRESSURE: 255800 -66.7818 -18.9277 31.4291 -56.8434 -161.265 0.818234 64.123 93.6093 66.8162 PRESSAVG: 255800 -54.7346 49.4269 28.8366 49.4269 11.6805 -17.4422 28.8366 -17.4423 34.176 GPRESSAVG: 255800 -52.9904 50.0886 30.1664 49.5642 11.6201 -16.9075 28.38 -17.2365 32.1168 TIMING: 255800 CPU: 756.497, 0.0029408/step Wall: 756.497, 0.0029408/step, 3.87548 hours remaining, 202.300781 MB of memory in use. ENERGY: 255800 778.9309 2082.9757 1931.1275 104.5336 -205757.5489 17760.4780 0.0000 0.0000 34177.4459 -148922.0573 298.4801 -183099.5032 -148823.2702 299.1727 -82.8437 -53.7437 558133.5069 -2.9593 -3.0845 PRESSURE: 256000 -48.5957 72.6455 -174.098 72.644 -290.878 -82.6253 -174.099 -82.6248 -19.9004 GPRESSURE: 256000 10.1976 4.2362 -209.796 123.209 -273.181 -56.9562 -179.997 -10.945 7.50349 PRESSAVG: 256000 47.7197 71.3691 25.9543 71.3691 -78.3866 60.9215 25.9544 60.9215 1.82482 GPRESSAVG: 256000 46.4236 71.4001 23.8781 71.3011 -79.5114 58.7467 25.9456 63.5771 3.77285 TIMING: 256000 CPU: 757.082, 0.00292504/step Wall: 757.082, 0.00292504/step, 3.85456 hours remaining, 202.300781 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: 256000 744.3270 2114.1098 1954.2823 127.0542 -205765.7219 17646.4478 0.0000 0.0000 34270.9567 -148908.5440 299.2968 -183179.5007 -148819.1487 300.0439 -119.7914 -85.1601 558226.6809 -9.6140 -9.7717 PRESSURE: 256200 -1.28095 86.3584 28.139 86.3585 -99.1114 -93.4184 28.1386 -93.4164 -56.3555 GPRESSURE: 256200 22.1329 126.149 27.2779 85.3139 -83.8937 -88.8099 -41.3627 -121.647 3.90527 PRESSAVG: 256200 -1.15644 21.7663 18.9512 21.7663 -41.7679 -36.6002 18.9512 -36.6003 6.05427 GPRESSAVG: 256200 -1.40906 20.6882 19.0111 23.2536 -41.4098 -34.4358 19.5273 -39.3988 5.94722 TIMING: 256200 CPU: 757.672, 0.00295188/step Wall: 757.672, 0.00295188/step, 3.88975 hours remaining, 202.300781 MB of memory in use. ENERGY: 256200 764.7222 2141.3949 1927.8364 122.8718 -205787.0452 17590.8832 0.0000 0.0000 34198.0288 -149041.3080 298.6599 -183239.3367 -148942.6564 299.7290 -52.2493 -19.2852 556270.0309 -12.2900 -12.2906 LDB: ============= START OF LOAD BALANCING ============== 761.099 LDB: ============== END OF LOAD BALANCING =============== 761.099 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 761.1 LDB: ============= START OF LOAD BALANCING ============== 761.396 LDB: Largest compute 4848 load 0.029157 is 24.8% of average load 0.117774 LDB: Average compute 0.001733 is 1.5% of average load 0.117774 LDB: TIME 761.399 LOAD: AVG 0.117774 MAX 0.198724 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.863 MB LDB: TIME 761.399 LOAD: AVG 0.117774 MAX 0.198724 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.891 MB LDB: TIME 761.399 LOAD: AVG 0.117774 MAX 0.198724 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.891 MB LDB: ============== END OF LOAD BALANCING =============== 761.401 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 761.405 PRESSURE: 256400 -269.863 14.3537 81.2998 14.3543 -50.0179 6.53678 81.3005 6.536 -378.821 GPRESSURE: 256400 -213.256 -22.5369 -3.27383 12.3922 -84.9825 7.12522 73.3103 -21.3225 -302.706 PRESSAVG: 256400 76.2293 33.3711 -30.0982 33.371 -25.8564 -22.1438 -30.0982 -22.1438 -32.6975 GPRESSAVG: 256400 75.8299 34.2868 -29.7917 33.0738 -24.078 -21.7997 -30.9564 -22.5224 -34.2531 TIMING: 256400 CPU: 758.275, 0.00301555/step Wall: 758.275, 0.00301555/step, 3.97349 hours remaining, 203.585938 MB of memory in use. ENERGY: 256400 780.7140 2158.7485 1955.2789 103.1151 -205752.1365 17666.4612 0.0000 0.0000 34037.1853 -149050.6334 297.2552 -183087.8188 -148952.5898 299.0695 -232.9008 -200.3150 560524.4304 5.8918 5.8330 PRESSURE: 256600 -29.5555 -110.004 77.7194 -110.003 -127.435 -11.1325 77.7205 -11.1318 -280.323 GPRESSURE: 256600 -20.6943 -107.431 161.722 -104.969 -88.7043 -28.4883 28.8776 56.1946 -216.881 PRESSAVG: 256600 30.9266 -77.0338 -30.1538 -77.0339 -28.6761 27.4721 -30.1538 27.4722 19.3831 GPRESSAVG: 256600 30.3919 -75.1776 -29.4407 -78.8657 -28.4579 25.2248 -30.8848 29.9414 19.5176 TIMING: 256600 CPU: 758.864, 0.00294077/step Wall: 758.864, 0.00294077/step, 3.87479 hours remaining, 203.785156 MB of memory in use. ENERGY: 256600 750.5941 2109.6909 1971.4869 120.6420 -206135.2274 17852.0471 0.0000 0.0000 34079.5899 -149251.1766 297.6255 -183330.7665 -149161.3317 298.7985 -145.7714 -108.7598 560462.9257 7.2112 7.1505 PRESSURE: 256800 -111.258 -69.4648 131.109 -69.4652 -134.413 -10.517 131.107 -10.5171 -37.72 GPRESSURE: 256800 -61.9477 -33.9068 80.8011 -131.339 -142.394 26.2053 76.8252 47.3405 8.72929 PRESSAVG: 256800 41.0512 46.972 51.4541 46.9719 -22.7309 -50.8921 51.454 -50.8919 -56.7052 GPRESSAVG: 256800 42.1226 44.5795 50.0623 47.737 -24.6179 -47.8734 52.9738 -51.4632 -55.966 TIMING: 256800 CPU: 759.453, 0.0029449/step Wall: 759.453, 0.0029449/step, 3.88007 hours remaining, 203.785156 MB of memory in use. ENERGY: 256800 730.5188 2092.3637 1958.5215 94.9906 -206242.7283 17879.4401 0.0000 0.0000 34108.4311 -149378.4625 297.8774 -183486.8936 -149286.2432 299.0999 -94.4637 -65.2043 559637.8254 -12.7950 -12.8204 PRESSURE: 257000 26.0884 -46.7995 -54.3361 -46.7989 -272.429 17.8473 -54.3357 17.8477 -146.611 GPRESSURE: 257000 37.8137 -55.5705 10.2371 -16.8933 -198.603 -73.1009 -95.9736 45.9824 -140.702 PRESSAVG: 257000 -85.2871 -18.6675 43.1304 -18.6675 24.2887 20.8197 43.1304 20.8198 75.6871 GPRESSAVG: 257000 -85.5547 -18.0209 44.3427 -19.2228 25.1487 18.0162 41.8974 18.203 74.6541 TIMING: 257000 CPU: 760.039, 0.0029304/step Wall: 760.039, 0.0029304/step, 3.8608 hours remaining, 203.785156 MB of memory in use. ENERGY: 257000 706.9912 2063.7457 1972.6578 107.1724 -205961.9127 17577.7806 0.0000 0.0000 34192.5718 -149340.9933 298.6122 -183533.5651 -149241.5639 298.6537 -130.9837 -100.4971 558477.1271 4.8963 4.7494 PRESSURE: 257200 131.695 199.828 34.9037 199.827 -10.8612 -94.4423 34.9057 -94.4421 -277.428 GPRESSURE: 257200 132.932 127.718 126.273 192.842 24.1053 -126.088 -0.817208 -37.6855 -225.59 PRESSAVG: 257200 -3.4103 -33.0069 18.4068 -33.0069 -18.5171 37.7054 18.4068 37.7054 23.3922 GPRESSAVG: 257200 -3.87832 -32.0798 17.3392 -33.32 -20.107 38.0231 20.2055 39.1884 25.0616 TIMING: 257200 CPU: 760.627, 0.00294411/step Wall: 760.627, 0.00294411/step, 3.87871 hours remaining, 203.785156 MB of memory in use. ENERGY: 257200 764.5866 2093.9438 1951.6372 113.1297 -206696.9514 17989.6843 0.0000 0.0000 34315.0981 -149468.8716 299.6823 -183783.9697 -149373.5322 298.9607 -52.1981 -22.8507 557383.4196 0.4883 0.3588 PRESSURE: 257400 149.126 -130.61 -64.8561 -130.61 308.209 89.4114 -64.8566 89.4117 -32.5451 GPRESSURE: 257400 199.719 -105.541 37.224 -116.987 289.108 88.935 -85.2196 102.547 29.9217 PRESSAVG: 257400 -2.55522 4.36849 14.0241 4.36839 18.1933 17.4789 14.0241 17.479 -26.4567 GPRESSAVG: 257400 -2.9956 3.45582 16.5001 6.6702 18.925 20.2353 13.1195 15.9461 -27.1701 TIMING: 257400 CPU: 761.215, 0.0029365/step Wall: 761.215, 0.0029365/step, 3.86852 hours remaining, 203.785156 MB of memory in use. ENERGY: 257400 759.1622 2090.1326 1956.1596 124.0386 -206962.5809 18365.4808 0.0000 0.0000 34250.7804 -149416.8267 299.1206 -183667.6071 -149322.7580 298.4287 141.5968 172.9160 557732.2791 -3.6062 -3.7469 PRESSURE: 257600 -32.8378 -31.8405 18.943 -31.8392 27.9723 -36.6636 18.9425 -36.6653 211.621 GPRESSURE: 257600 9.08658 -38.6165 -11.6551 -46.0614 98.847 -79.1967 15.2521 -26.5479 194.333 PRESSAVG: 257600 -18.6767 27.547 -54.553 27.547 68.0328 6.57842 -54.553 6.57848 -47.9386 GPRESSAVG: 257600 -17.3392 28.3598 -55.5422 25.8428 67.6187 3.83016 -52.9507 8.79235 -48.6015 TIMING: 257600 CPU: 761.805, 0.00294872/step Wall: 761.805, 0.00294872/step, 3.88445 hours remaining, 203.785156 MB of memory in use. ENERGY: 257600 740.8430 2037.7923 1993.2514 130.7691 -206788.4493 18052.4836 0.0000 0.0000 34345.8820 -149487.4280 299.9511 -183833.3100 -149392.6980 298.6181 68.9186 100.7556 555991.9077 0.4725 0.5593 PRESSURE: 257800 126.218 -21.4451 -104.357 -21.4449 210.7 14.3896 -104.358 14.3886 61.6286 GPRESSURE: 257800 109.161 51.8321 -122.929 -104.948 299.686 -26.4353 -55.3113 101.583 79.6829 PRESSAVG: 257800 -29.2582 -27.6406 -10.6322 -27.6406 60.2854 -54.9259 -10.6322 -54.9259 4.6035 GPRESSAVG: 257800 -31.5519 -28.3217 -12.5938 -26.4428 60.0718 -54.4761 -10.0051 -56.9175 6.51921 TIMING: 257800 CPU: 762.392, 0.0029398/step Wall: 762.392, 0.0029398/step, 3.87253 hours remaining, 203.785156 MB of memory in use. ENERGY: 257800 763.8314 2124.6137 1957.6460 114.6031 -206541.1373 17971.6456 0.0000 0.0000 34228.8496 -149379.9478 298.9291 -183608.7974 -149287.0348 298.9555 132.8488 162.8436 556214.2057 11.8769 11.6797 PRESSURE: 258000 101.729 -13.1618 -163.182 -13.1623 166.045 -114.708 -163.181 -114.707 -165.937 GPRESSURE: 258000 151.081 -115.179 -78.8668 51.2119 168.416 -219.201 -180.958 -146.625 -121.338 PRESSAVG: 258000 -42.2711 -25.2428 -26.3238 -25.2428 21.2391 -0.0362414 -26.3236 -0.0362703 43.9534 GPRESSAVG: 258000 -40.2275 -23.51 -25.1615 -27.8837 21.4949 -0.823437 -27.7268 1.01236 41.5086 TIMING: 258000 CPU: 762.98, 0.00293526/step Wall: 762.98, 0.00293526/step, 3.86639 hours remaining, 203.785156 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: 258000 754.2479 2057.7094 1949.7555 101.8256 -206498.6074 17960.0317 0.0000 0.0000 34213.5222 -149461.5151 298.7952 -183675.0373 -149367.6947 298.5247 33.9459 66.0532 557291.2925 7.6405 7.5920 PRESSURE: 258200 53.2266 13.6553 101.544 13.6547 231.767 -126.313 101.544 -126.313 269.62 GPRESSURE: 258200 79.9522 10.0687 -3.85064 -17.6563 231.773 -160.377 150.029 -123.774 326.918 PRESSAVG: 258200 -39.5625 -39.4363 36.3843 -39.4364 23.5913 -22.927 36.3842 -22.927 20.7478 GPRESSAVG: 258200 -40.911 -42.334 35.0287 -37.2291 24.0703 -23.1458 36.3804 -21.8183 22.5109 TIMING: 258200 CPU: 763.569, 0.00294952/step Wall: 763.569, 0.00294952/step, 3.88501 hours remaining, 203.785156 MB of memory in use. ENERGY: 258200 754.5152 2090.0238 1947.3300 112.8420 -206473.2226 17930.3466 0.0000 0.0000 34318.6148 -149319.5503 299.7130 -183638.1651 -149226.8361 299.3736 184.8712 212.8811 555531.1636 1.5922 1.8901 PRESSURE: 258400 219.775 -192.392 -162.797 -192.392 -123.591 84.5103 -162.796 84.5086 129.649 GPRESSURE: 258400 230.761 -278.1 -146.957 -73.7477 -74.1512 93.5788 -112.52 164.646 163.627 PRESSAVG: 258400 24.0311 -8.25306 -2.08684 -8.253 -47.2857 -15.4096 -2.08678 -15.4098 -16.5966 GPRESSAVG: 258400 24.462 -7.27242 -2.33167 -6.91961 -47.1257 -15.4952 -0.778988 -17.2322 -17.6051 TIMING: 258400 CPU: 764.157, 0.00293962/step Wall: 764.157, 0.00293962/step, 3.87181 hours remaining, 203.785156 MB of memory in use. ENERGY: 258400 762.5870 2104.7709 1973.3692 113.1637 -206311.5190 17955.2882 0.0000 0.0000 34065.4024 -149336.9375 297.5016 -183402.3400 -149241.5503 299.2930 75.2775 106.7453 556320.1752 -13.2837 -13.4230 PRESSURE: 258600 151.572 -7.70731 -64.8621 -7.70618 -291.465 8.99581 -64.8628 8.99419 -334.889 GPRESSURE: 258600 161.586 15.8591 -112.705 -91.2375 -271.524 -23.4955 -52.0449 -14.0213 -260.534 PRESSAVG: 258600 29.2386 -23.6101 -5.01991 -23.6102 -62.2781 39.51 -5.01993 39.51 31.898 GPRESSAVG: 258600 29.8403 -24.3956 -2.42819 -26.1668 -62.7076 39.9775 -5.65736 39.0508 31.8739 TIMING: 258600 CPU: 764.748, 0.00295518/step Wall: 764.748, 0.00295518/step, 3.89214 hours remaining, 203.785156 MB of memory in use. ENERGY: 258600 741.2436 2071.3022 1956.8172 109.6937 -205670.3852 17485.0220 0.0000 0.0000 34242.5910 -149063.7155 299.0491 -183306.3065 -148970.0554 299.1953 -158.2603 -123.4907 556043.3224 -0.3805 -0.3311 PRESSURE: 258800 67.0776 82.7735 -196.034 82.7724 -301.374 199.118 -196.033 199.118 -172.514 GPRESSURE: 258800 60.2771 82.3797 -239.346 91.3052 -230.13 128.97 -237.371 380.434 -141.826 PRESSAVG: 258800 35.2405 -18.2398 -36.0454 -18.2398 -75.3383 55.497 -36.0454 55.4971 -0.94035 GPRESSAVG: 258800 34.9267 -17.6265 -38.6751 -17.3588 -74.3794 55.9079 -36.5944 54.4713 -1.67112 TIMING: 258800 CPU: 765.334, 0.00292593/step Wall: 765.334, 0.00292593/step, 3.85345 hours remaining, 203.785156 MB of memory in use. ENERGY: 258800 723.6527 2081.2692 1944.8338 112.5274 -205620.6974 17465.6646 0.0000 0.0000 34121.2193 -149171.5304 297.9891 -183292.7497 -149075.4863 299.4216 -135.6036 -103.8930 557843.9419 -13.6794 -13.7079 PRESSURE: 259000 -34.2183 121.857 210.866 121.857 -309.253 94.3574 210.865 94.3552 -224.01 GPRESSURE: 259000 -5.86703 161.475 268.913 82.1199 -249.564 -18.6222 149.366 83.4589 -220.719 PRESSAVG: 259000 36.228 13.8626 -2.15691 13.8627 6.3312 26.0952 -2.15706 26.0951 -4.46904 GPRESSAVG: 259000 36.4058 13.4432 -0.794842 13.0571 5.74982 27.5505 -1.3801 25.7036 -4.09303 TIMING: 259000 CPU: 765.926, 0.00296457/step Wall: 765.926, 0.00296458/step, 3.90418 hours remaining, 203.785156 MB of memory in use. ENERGY: 259000 763.5451 2106.9107 1926.4700 121.9096 -206001.1906 17439.8577 0.0000 0.0000 34499.7848 -149142.7126 301.2952 -183642.4974 -149042.7786 300.3950 -189.1605 -158.7168 555698.3403 12.6967 12.6875 PRESSURE: 259200 188.069 6.49021 -139.759 6.49029 81.9768 -54.1938 -139.76 -54.195 -36.1088 GPRESSURE: 259200 211.092 -68.4079 -95.171 -6.19784 117.91 -51.8085 -238.974 14.3468 8.93759 PRESSAVG: 259200 50.2284 -1.66236 12.6247 -1.66227 -31.2433 24.1388 12.6247 24.1389 -15.5701 GPRESSAVG: 259200 49.6538 -4.06925 12.0297 -0.13471 -31.5492 24.1361 10.507 27.3979 -14.8099 TIMING: 259200 CPU: 766.52, 0.00296823/step Wall: 766.52, 0.00296823/step, 3.90883 hours remaining, 203.785156 MB of memory in use. ENERGY: 259200 752.8886 2057.7149 1958.5306 123.0146 -206362.4150 17956.2186 0.0000 0.0000 34347.7926 -149166.2552 299.9678 -183514.0478 -149077.5438 299.5686 77.9790 112.6466 556323.5915 1.1383 1.0982 PRESSURE: 259400 -104.081 57.5772 81.429 57.5761 -135.433 39.3695 81.4282 39.3702 -122.332 GPRESSURE: 259400 -30.4671 16.9467 43.0921 53.2693 -142.658 97.4098 85.7322 56.3901 -99.6166 PRESSAVG: 259400 13.6971 13.5013 12.5591 13.5013 -32.097 8.91384 12.5591 8.91383 -21.4103 GPRESSAVG: 259400 15.0381 15.5476 13.713 10.2939 -32.7438 8.56527 13.84 7.80229 -22.3051 TIMING: 259400 CPU: 767.117, 0.00298272/step Wall: 767.117, 0.00298272/step, 3.92775 hours remaining, 203.785156 MB of memory in use. ENERGY: 259400 727.7248 2067.2262 1937.0914 118.3582 -206210.7339 17829.6418 0.0000 0.0000 34231.7489 -149298.9425 298.9544 -183530.6914 -149205.3306 298.9754 -120.6153 -90.9137 558820.1251 -13.2701 -13.3370 PRESSURE: 259600 -125.959 118.765 -18.4409 118.763 -226.175 -177.86 -18.4397 -177.86 -236.701 GPRESSURE: 259600 -102.936 70.6955 15.6868 61.9859 -229.993 -171.082 26.5236 -92.7421 -156.755 PRESSAVG: 259600 16.084 31.3018 -38.8992 31.3017 31.4213 43.0193 -38.8992 43.0193 -69.401 GPRESSAVG: 259600 14.7116 31.785 -40.5076 32.1644 32.9191 42.3969 -38.2858 41.2254 -69.2352 TIMING: 259600 CPU: 767.709, 0.00296212/step Wall: 767.709, 0.00296212/step, 3.90045 hours remaining, 203.785156 MB of memory in use. ENERGY: 259600 771.3600 2095.2723 1959.7905 108.7183 -206105.8924 17705.2824 0.0000 0.0000 34257.5890 -149207.8798 299.1800 -183465.4688 -149115.3030 298.9932 -196.2783 -163.2277 558471.7155 -7.2986 -7.2015 PRESSURE: 259800 -272.591 -19.6071 -11.9345 -19.6059 -118.269 -28.5695 -11.934 -28.5688 -82.9331 GPRESSURE: 259800 -221.861 -156.429 -15.1064 93.4018 -100.608 5.0935 21.4042 71.7229 -61.8395 PRESSAVG: 259800 -1.04788 -21.1664 17.7983 -21.1665 -15.3303 70.3222 17.7984 70.3223 32.043 GPRESSAVG: 259800 -1.09923 -23.1779 19.2496 -18.1474 -16.8466 71.1422 17.0796 72.3312 33.4827 TIMING: 259800 CPU: 768.298, 0.0029466/step Wall: 768.298, 0.0029466/step, 3.87985 hours remaining, 203.785156 MB of memory in use. ENERGY: 259800 723.8423 2083.2880 1960.3609 120.2057 -205967.3388 17477.3947 0.0000 0.0000 34566.1135 -149036.1336 301.8745 -183602.2471 -148933.5186 300.1454 -157.9310 -128.1028 557598.9180 5.2216 5.1789 PRESSURE: 260000 -222.55 71.0971 90.2317 71.0961 -132.76 -62.6068 90.2301 -62.6072 -131.34 GPRESSURE: 260000 -211.565 98.3643 60.8261 159.288 -90.1838 -52.6628 72.664 -123.795 -76.2175 PRESSAVG: 260000 47.165 70.8428 -38.4356 70.8429 -15.0471 8.67632 -38.4356 8.67636 -22.2964 GPRESSAVG: 260000 47.5373 71.753 -39.2638 69.4471 -13.6622 8.32188 -35.0242 9.3395 -24.0221 TIMING: 260000 CPU: 768.89, 0.00295836/step Wall: 768.89, 0.00295836/step, 3.89517 hours remaining, 203.785156 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: 260000 755.8413 2097.5098 1951.5957 105.0217 -205815.4472 17522.3641 0.0000 0.0000 34276.7117 -149106.4029 299.3470 -183383.1146 -149005.5485 299.7762 -162.2166 -125.9887 557756.5924 3.2739 3.2843 PRESSURE: 260200 6.51122 -25.5128 29.6922 -25.5145 -135.673 42.546 29.6927 42.5457 -36.1741 GPRESSURE: 260200 15.181 -72.9751 25.0159 23.5314 -89.1684 0.449299 24.4698 92.095 3.85603 PRESSAVG: 260200 26.0474 11.4163 -7.56859 11.4161 -26.2196 -43.2599 -7.5686 -43.2599 -18.8384 GPRESSAVG: 260200 26.3088 11.6326 -5.87841 10.8372 -26.5927 -43.3092 -11.4139 -43.0374 -18.5223 TIMING: 260200 CPU: 769.483, 0.00296385/step Wall: 769.483, 0.00296385/step, 3.90224 hours remaining, 203.785156 MB of memory in use. ENERGY: 260200 773.6832 2080.0914 1952.2273 112.8119 -206181.3712 17680.2065 0.0000 0.0000 34332.2013 -149250.1495 299.8317 -183582.3508 -149155.1925 299.7184 -55.1121 -23.3771 557025.6101 -6.3369 -6.2687 LDB: ============= START OF LOAD BALANCING ============== 772.912 LDB: ============== END OF LOAD BALANCING =============== 772.912 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 772.913 LDB: ============= START OF LOAD BALANCING ============== 773.211 LDB: Largest compute 4848 load 0.028899 is 24.5% of average load 0.117803 LDB: Average compute 0.001733 is 1.5% of average load 0.117803 LDB: TIME 773.213 LOAD: AVG 0.117803 MAX 0.197944 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.586 MB LDB: TIME 773.214 LOAD: AVG 0.117803 MAX 0.197944 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.586 MB LDB: TIME 773.214 LOAD: AVG 0.117803 MAX 0.197944 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.586 MB LDB: ============== END OF LOAD BALANCING =============== 773.216 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 773.22 PRESSURE: 260400 33.0345 -20.3358 -174.363 -20.3343 -332.11 -183.027 -174.363 -183.027 51.17 GPRESSURE: 260400 79.0642 51.9822 -163.251 -43.5056 -336.295 -279.944 -180.593 -142.34 120.005 PRESSAVG: 260400 23.6824 19.5773 -26.3601 19.5772 -87.0866 -0.406629 -26.3601 -0.406561 25.1163 GPRESSAVG: 260400 24.3466 18.1513 -28.687 20.0115 -88.056 -2.73911 -23.5684 -0.174127 25.0089 TIMING: 260400 CPU: 770.09, 0.0030378/step Wall: 770.09, 0.0030378/step, 3.99943 hours remaining, 203.585938 MB of memory in use. ENERGY: 260400 749.2471 2112.2640 1942.8172 115.3710 -206300.1990 17725.0549 0.0000 0.0000 34392.1760 -149263.2688 300.3554 -183655.4448 -149168.3374 299.0226 -82.6352 -45.7417 558607.4024 -12.7626 -12.9002 PRESSURE: 260600 60.5828 146.697 -126.857 146.696 -2.77912 -127.804 -126.857 -127.804 129.493 GPRESSURE: 260600 116.999 102.205 -134.523 136.82 23.1673 -174.966 -238.767 -112.417 144.948 PRESSAVG: 260600 -0.188091 -31.0193 -60.6356 -31.0193 -36.6258 -43.6257 -60.6356 -43.6256 26.7461 GPRESSAVG: 260600 -1.23235 -27.8045 -59.8227 -32.1269 -36.2846 -41.6479 -61.7724 -44.5886 27.3547 TIMING: 260600 CPU: 770.685, 0.00297373/step Wall: 770.685, 0.00297373/step, 3.91492 hours remaining, 203.656250 MB of memory in use. ENERGY: 260600 725.4843 2079.9967 1972.1868 130.2491 -206326.0194 17991.7972 0.0000 0.0000 34350.8514 -149075.4538 299.9945 -183426.3052 -148976.3381 299.0272 62.4323 95.0383 557975.3707 -3.3559 -3.3874 PRESSURE: 260800 -40.697 -67.6037 60.5562 -67.6039 -79.1872 -110.796 60.5564 -110.796 113.964 GPRESSURE: 260800 -34.6503 10.182 -13.7614 -96.1578 -23.6072 -129.245 55.3938 -53.4366 144.001 PRESSAVG: 260800 -106.48 -16.7899 -21.2836 -16.7899 119.19 -2.24178 -21.2836 -2.2417 22.5715 GPRESSAVG: 260800 -106.599 -18.3839 -21.9144 -15.3605 119.143 -2.61059 -20.8277 -1.15826 22.7807 TIMING: 260800 CPU: 771.279, 0.00297064/step Wall: 771.279, 0.00297064/step, 3.91068 hours remaining, 203.656250 MB of memory in use. ENERGY: 260800 783.2229 2061.7142 1952.4980 114.4358 -206038.3873 17802.4969 0.0000 0.0000 34313.9020 -149010.1174 299.6718 -183324.0195 -148921.5319 299.4548 -1.9733 28.5811 557972.7873 11.7605 11.7751 PRESSURE: 261000 -20.7268 -162.271 1.59023 -162.271 21.8985 18.3397 1.59151 18.3411 -19.5673 GPRESSURE: 261000 36.7947 -85.0587 38.8361 -194.959 -20.701 81.2592 1.37978 -97.1867 50.2679 PRESSAVG: 261000 -52.0544 -8.73662 27.3937 -8.73654 46.3262 28.1438 27.3939 28.1438 11.2407 GPRESSAVG: 261000 -50.5914 -9.55502 26.7441 -7.94415 45.251 27.6861 29.3267 27.7531 10.5479 TIMING: 261000 CPU: 771.876, 0.00298441/step Wall: 771.876, 0.00298441/step, 3.92865 hours remaining, 203.656250 MB of memory in use. ENERGY: 261000 746.3008 2130.0606 1941.9553 111.6672 -205779.7022 17584.3091 0.0000 0.0000 34471.5761 -148793.8332 301.0488 -183265.4093 -148697.9539 300.3473 -6.1319 22.1205 556821.8248 1.8375 1.7358 PRESSURE: 261200 -42.8553 -45.9792 34.8552 -45.9795 -284.561 -33.4507 34.8557 -33.4497 -99.0249 GPRESSURE: 261200 11.23 -170.36 39.5153 -1.45073 -289.913 -93.7464 -7.36962 10.2645 -51.1985 PRESSAVG: 261200 -4.2003 -18.2261 5.18755 -18.2262 -42.6525 -8.44154 5.18754 -8.4415 69.1574 GPRESSAVG: 261200 -4.49152 -17.3556 5.78238 -21.347 -42.5577 -6.24231 4.41224 -8.96639 69.1933 TIMING: 261200 CPU: 772.467, 0.00295172/step Wall: 772.467, 0.00295172/step, 3.88544 hours remaining, 203.656250 MB of memory in use. ENERGY: 261200 737.6893 2115.5181 1943.1324 109.3965 -205638.6779 17585.5605 0.0000 0.0000 34424.5103 -148722.8707 300.6378 -183147.3810 -148624.5481 300.6598 -142.1471 -109.9605 557383.3203 7.4349 7.3814 PRESSURE: 261400 81.9363 36.7583 -97.1113 36.7578 -276.412 102.147 -97.1104 102.147 -99.8384 GPRESSURE: 261400 81.117 74.9946 -63.3587 30.3835 -196.764 171.077 -97.2295 71.6183 -77.3746 PRESSAVG: 261400 0.595641 -56.2924 -14.4529 -56.2923 -15.3261 -1.21076 -14.4528 -1.21084 0.383404 GPRESSAVG: 261400 -0.550874 -56.1087 -11.8738 -55.0739 -15.025 -4.47404 -15.278 0.281218 1.06933 TIMING: 261400 CPU: 773.06, 0.0029676/step Wall: 773.06, 0.0029676/step, 3.90618 hours remaining, 203.656250 MB of memory in use. ENERGY: 261400 743.0130 2122.3966 1920.4397 122.8196 -205371.2663 17422.5687 0.0000 0.0000 34266.8606 -148773.1682 299.2610 -183040.0287 -148676.8304 300.8178 -98.1046 -64.3405 557865.1750 -4.7823 -4.8355 PRESSURE: 261600 82.0748 -198.656 -66.7819 -198.657 -23.2553 124.273 -66.7822 124.273 166.558 GPRESSURE: 261600 59.2431 -257.517 -30.4927 -166.197 49.7475 129.833 -87.6964 124.895 208.966 PRESSAVG: 261600 11.4425 -6.9549 37.3488 -6.95483 -8.0232 21.1325 37.3488 21.1325 -23.2919 GPRESSAVG: 261600 11.3907 -7.39612 36.7315 -7.79029 -8.12047 20.6283 36.3711 18.3444 -23.2012 TIMING: 261600 CPU: 773.658, 0.0029886/step Wall: 773.658, 0.0029886/step, 3.93366 hours remaining, 203.656250 MB of memory in use. ENERGY: 261600 715.6972 2106.4775 1932.9220 124.5542 -206041.0350 17787.2529 0.0000 0.0000 34479.8299 -148894.3013 301.1209 -183374.1312 -148798.0447 299.7183 75.1260 105.9855 554777.9807 -6.6242 -6.6436 PRESSURE: 261800 66.446 70.2581 -127.819 70.2592 14.4418 161.094 -127.818 161.097 -84.4903 GPRESSURE: 261800 108.759 54.481 -190.506 62.8689 17.3408 1.47818 -172.63 210.256 -22.9285 PRESSAVG: 261800 37.0101 -39.1858 55.7573 -39.1857 6.95021 40.2238 55.7573 40.2239 -2.55463 GPRESSAVG: 261800 38.4335 -40.8344 55.6095 -37.4272 6.10492 41.0573 55.7566 42.0373 -3.1716 TIMING: 261800 CPU: 774.249, 0.0029564/step Wall: 774.249, 0.0029564/step, 3.89111 hours remaining, 203.656250 MB of memory in use. ENERGY: 261800 762.1836 2079.3236 1952.1401 123.7194 -205979.2494 17713.4994 0.0000 0.0000 34460.1786 -148888.2046 300.9493 -183348.3832 -148786.9081 300.3021 -1.2008 34.3905 555911.4536 13.8019 13.7889 PRESSURE: 262000 159.086 13.5662 79.1193 13.5662 72.4919 56.9629 79.1185 56.965 -82.0843 GPRESSURE: 262000 242.751 62.4883 133.566 1.45282 28.5163 70.238 54.0322 67.9093 -32.8177 PRESSAVG: 262000 42.5816 -16.3611 15.5705 -16.3612 45.4458 2.39408 15.5704 2.39414 -46.7437 GPRESSAVG: 262000 41.4282 -16.2947 13.8897 -16.7506 46.4713 2.19075 17.2843 2.91881 -46.685 TIMING: 262000 CPU: 774.839, 0.00295091/step Wall: 774.839, 0.00295091/step, 3.88373 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: 262000 737.1666 2095.0245 1933.1823 110.7927 -206344.4118 17834.2262 0.0000 0.0000 34376.8903 -149257.1291 300.2219 -183634.0194 -149169.3476 299.8941 49.8311 79.4832 555570.3690 13.7612 13.7382 PRESSURE: 262200 113.335 51.8802 11.0945 51.8802 69.9331 -22.7666 11.095 -22.7668 -321.817 GPRESSURE: 262200 181.677 -20.1724 10.2762 47.2308 21.6238 31.774 -46.4514 -65.676 -253.184 PRESSAVG: 262200 80.2139 -28.4994 -0.447154 -28.4993 -1.94711 13.7653 -0.447146 13.7653 -92.8625 GPRESSAVG: 262200 81.8857 -26.6491 0.191723 -28.6121 -3.1198 15.1173 0.408131 11.8965 -92.8287 TIMING: 262200 CPU: 775.436, 0.00298151/step Wall: 775.436, 0.00298151/step, 3.92383 hours remaining, 203.656250 MB of memory in use. ENERGY: 262200 704.8175 2094.8263 1946.8954 116.0865 -206325.7423 17884.7266 0.0000 0.0000 34146.6863 -149431.7037 298.2115 -183578.3900 -149333.8932 298.2931 -46.1831 -16.6278 558093.4009 -4.8652 -4.6876 PRESSURE: 262400 16.6472 -22.9268 -132.983 -22.9276 -161.13 88.6198 -132.982 88.6216 -122.983 GPRESSURE: 262400 -12.5767 -83.9937 -171.288 46.4427 -119.489 100.877 -65.1974 114.441 -52.6856 PRESSAVG: 262400 -21.1806 -44.7025 70.6536 -44.7025 6.08479 40.4516 70.6536 40.4517 3.06229 GPRESSAVG: 262400 -22.2291 -45.4044 70.0707 -46.1963 6.4163 39.3401 70.4432 40.182 3.40722 TIMING: 262400 CPU: 776.024, 0.00294297/step Wall: 776.024, 0.00294297/step, 3.87294 hours remaining, 203.656250 MB of memory in use. ENERGY: 262400 755.2595 2088.7912 1934.4459 100.8743 -206424.4019 17842.9728 0.0000 0.0000 34274.1186 -149427.9396 299.3244 -183702.0583 -149339.7529 298.6585 -89.1552 -61.5837 558161.6913 -4.0112 -4.1352 PRESSURE: 262600 172.111 -60.0329 182.286 -60.0333 -327.618 -30.699 182.286 -30.6977 15.0293 GPRESSURE: 262600 191.717 -70.958 229.432 -99.1683 -239.734 -24.3354 167.981 9.45239 7.02661 PRESSAVG: 262600 40.8633 -35.446 45.6134 -35.446 2.19081 64.098 45.6133 64.0981 -73.5844 GPRESSAVG: 262600 41.2849 -35.9678 46.0367 -35.8125 2.61832 65.191 45.2656 65.5656 -74.1253 TIMING: 262600 CPU: 776.617, 0.00296243/step Wall: 776.617, 0.00296243/step, 3.89839 hours remaining, 203.656250 MB of memory in use. ENERGY: 262600 746.8841 2084.3189 1937.1837 117.0575 -206260.0212 17851.3447 0.0000 0.0000 34050.8897 -149472.3426 297.3749 -183523.2323 -149381.3319 298.5697 -46.8257 -13.6636 558355.2350 -10.1768 -10.0740 PRESSURE: 262800 -92.4398 14.4644 79.509 14.4654 -13.9249 91.7989 79.5101 91.8001 -114.388 GPRESSURE: 262800 -45.261 57.9277 68.2181 -31.9099 74.4052 13.0684 66.9196 141.064 -159.659 PRESSAVG: 262800 50.5108 -27.8772 69.0022 -27.8772 -34.1162 -5.85702 69.0022 -5.85689 -29.802 GPRESSAVG: 262800 49.1274 -25.6075 70.7388 -26.0931 -33.7019 -5.23133 68.4758 -7.80685 -29.0662 TIMING: 262800 CPU: 777.21, 0.00296445/step Wall: 777.209, 0.00296445/step, 3.90089 hours remaining, 203.656250 MB of memory in use. ENERGY: 262800 746.0497 2069.8719 1939.4005 110.3230 -206254.5399 17749.6320 0.0000 0.0000 34164.6607 -149474.6021 298.3685 -183639.2628 -149380.4991 298.5147 -73.5843 -43.5050 556527.8993 -4.4692 -4.5469 PRESSURE: 263000 -20.9029 -97.5669 -51.5604 -97.5649 -39.6357 -96.2412 -51.5606 -96.2423 2.35981 GPRESSURE: 263000 -10.4994 -83.0178 -95.9089 -150.821 33.2872 -9.50387 -48.1984 -80.5858 9.31559 PRESSAVG: 263000 37.2135 -10.2171 -38.6864 -10.217 29.5089 -5.71086 -38.6863 -5.71091 -68.3407 GPRESSAVG: 263000 37.1333 -10.7458 -41.4189 -11.2245 30.8687 -6.43968 -38.5191 -5.47559 -69.795 TIMING: 263000 CPU: 777.802, 0.00296138/step Wall: 777.802, 0.00296138/step, 3.89668 hours remaining, 203.656250 MB of memory in use. ENERGY: 263000 699.6775 2129.6782 1917.1316 114.5389 -206153.6201 17554.5262 0.0000 0.0000 34254.6016 -149483.4660 299.1540 -183738.0676 -149385.3502 298.2082 -19.3929 10.7011 555742.9382 -0.5394 -0.5977 PRESSURE: 263200 44.4125 98.1231 119.071 98.1232 195.892 -39.6257 119.071 -39.6256 130.765 GPRESSURE: 263200 58.0139 54.9364 133.759 108.261 219.959 -39.1637 78.9065 -142.714 179.047 PRESSAVG: 263200 31.3351 11.886 -50.4752 11.886 1.89184 -58.6753 -50.4752 -58.6753 -13.6009 GPRESSAVG: 263200 31.8235 10.1636 -49.6617 12.2263 -0.00195239 -58.3473 -50.6766 -57.9271 -11.8542 TIMING: 263200 CPU: 778.397, 0.00297551/step Wall: 778.397, 0.00297551/step, 3.91511 hours remaining, 203.656250 MB of memory in use. ENERGY: 263200 710.4489 2081.1124 1937.0578 97.1096 -206553.6227 17925.2264 0.0000 0.0000 34312.4287 -149490.2389 299.6590 -183802.6676 -149394.8375 298.5460 123.6900 152.3402 557033.8800 6.5420 6.6558 PRESSURE: 263400 -14.4571 79.8964 11.7603 79.895 -334.931 44.0121 11.7606 44.0114 -75.8011 GPRESSURE: 263400 16.9389 6.73852 17.1207 102.597 -262.278 48.4305 -69.446 -10.8044 -79.0729 PRESSAVG: 263400 -19.1447 -7.73379 5.26011 -7.73384 -1.1218 30.7575 5.26004 30.7575 53.1338 GPRESSAVG: 263400 -18.803 -7.66551 3.08003 -8.04847 -0.507601 30.5764 7.1754 29.8069 51.9563 TIMING: 263400 CPU: 778.988, 0.00295473/step Wall: 778.988, 0.00295473/step, 3.8876 hours remaining, 203.656250 MB of memory in use. ENERGY: 263400 739.7466 2108.4138 1933.7559 115.1681 -206457.1198 17814.5901 0.0000 0.0000 34264.5930 -149480.8523 299.2412 -183745.4453 -149384.7764 298.5236 -141.7298 -108.1375 558267.0896 10.9558 10.8819 PRESSURE: 263600 -3.94471 89.8325 -166.99 89.8329 -121.551 64.8719 -166.992 64.8718 262.635 GPRESSURE: 263600 39.087 32.3769 -199.811 41.7776 -112.709 37.1336 -145.824 134.6 303.252 PRESSAVG: 263600 36.9761 -53.3919 -41.6787 -53.3919 -67.5289 24.8847 -41.6787 24.8848 -14.9872 GPRESSAVG: 263600 35.8528 -52.9987 -41.1459 -52.0169 -66.9898 24.3925 -42.5145 26.0765 -14.0301 TIMING: 263600 CPU: 779.579, 0.00295673/step Wall: 779.579, 0.00295674/step, 3.89008 hours remaining, 203.656250 MB of memory in use. ENERGY: 263600 780.9805 2052.9732 1958.1859 126.7288 -206648.6481 18075.0807 0.0000 0.0000 34304.1800 -149350.5190 299.5869 -183654.6990 -149260.5958 298.2638 45.7129 76.5435 558573.1545 -15.1800 -15.0557 PRESSURE: 263800 -318.803 71.7532 130.442 71.7535 51.3846 -227.595 130.442 -227.595 -113.191 GPRESSURE: 263800 -268.835 106.572 171.941 87.6875 46.2198 -245.111 61.777 -173.647 -55.109 PRESSAVG: 263800 -0.114979 -3.50337 -36.2476 -3.5034 -21.9371 17.7689 -36.2476 17.7691 3.93818 GPRESSAVG: 263800 0.891994 -3.03104 -34.7127 -4.70469 -23.4336 18.2013 -37.6477 18.0574 4.53917 TIMING: 263800 CPU: 780.169, 0.00294946/step Wall: 780.169, 0.00294946/step, 3.88034 hours remaining, 203.656250 MB of memory in use. ENERGY: 263800 768.6671 2122.6783 1960.3367 115.4884 -206095.4774 17691.5208 0.0000 0.0000 34105.1710 -149331.6152 297.8489 -183436.7862 -149234.4526 299.2690 -126.8696 -92.5749 557395.6135 -6.0380 -6.0008 PRESSURE: 264000 75.2053 27.2284 16.3498 27.2274 -113.49 -56.4738 16.3487 -56.4723 -84.935 GPRESSURE: 264000 135.974 52.339 -7.33812 -15.8504 -79.8081 -107.165 35.9106 -66.1309 -77.6575 PRESSAVG: 264000 -26.2396 45.1295 3.77009 45.1296 51.2701 -12.1837 3.77014 -12.1837 8.2875 GPRESSAVG: 264000 -25.4768 43.985 4.91344 45.1085 52.0544 -12.9776 3.85256 -12.2925 6.74664 TIMING: 264000 CPU: 780.758, 0.00294598/step Wall: 780.758, 0.00294598/step, 3.8756 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: 264000 727.8968 2099.0951 1927.6307 113.0925 -206112.8819 17723.0263 0.0000 0.0000 34224.8680 -149297.2725 298.8943 -183522.1404 -149202.3072 298.6738 -41.0734 -7.1637 557602.8590 11.1060 11.1081 PRESSURE: 264200 58.389 -85.3805 -29.506 -85.3806 -20.3481 7.62102 -29.5077 7.6205 -195.227 GPRESSURE: 264200 74.2169 -133.629 -46.8795 -86.6934 21.2072 -50.4484 12.8548 100.82 -169.028 PRESSAVG: 264200 14.2529 92.8761 -29.6237 92.8761 53.144 -54.9758 -29.6237 -54.9758 -42.0562 GPRESSAVG: 264200 14.0992 92.5905 -31.13 95.0417 52.8816 -53.8612 -27.9032 -56.0302 -41.9771 TIMING: 264200 CPU: 781.351, 0.00296395/step Wall: 781.351, 0.00296395/step, 3.89908 hours remaining, 203.656250 MB of memory in use. ENERGY: 264200 704.9001 2044.8566 1948.6262 106.2726 -206311.1849 17878.6440 0.0000 0.0000 34457.7246 -149170.1609 300.9279 -183627.8855 -149072.6717 299.3736 -52.3954 -24.5347 557836.8818 8.4469 8.3346 LDB: ============= START OF LOAD BALANCING ============== 784.778 LDB: ============== END OF LOAD BALANCING =============== 784.778 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 784.78 LDB: ============= START OF LOAD BALANCING ============== 785.081 LDB: Largest compute 4848 load 0.030982 is 26.3% of average load 0.117701 LDB: Average compute 0.001734 is 1.5% of average load 0.117701 LDB: TIME 785.084 LOAD: AVG 0.117701 MAX 0.198883 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.348 MB LDB: TIME 785.084 LOAD: AVG 0.117701 MAX 0.198883 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.547 MB LDB: TIME 785.084 LOAD: AVG 0.117701 MAX 0.198883 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.547 MB LDB: ============== END OF LOAD BALANCING =============== 785.086 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 785.09 PRESSURE: 264400 133.161 -117.973 19.9165 -117.973 -154.042 131.044 19.9161 131.045 -215.037 GPRESSURE: 264400 147.108 -80.8405 137.625 -68.7881 -106.383 140.32 -61.0991 110.296 -180.177 PRESSAVG: 264400 74.1061 82.8248 18.5437 82.8248 -32.5137 2.43667 18.5437 2.4367 -20.9303 GPRESSAVG: 264400 73.0859 84.184 19.6708 82.4479 -31.4988 2.71084 18.1969 2.32215 -20.889 TIMING: 264400 CPU: 781.961, 0.00304747/step Wall: 781.961, 0.00304747/step, 4.00878 hours remaining, 202.433594 MB of memory in use. ENERGY: 264400 745.2298 2079.4244 1942.0667 118.5636 -206175.1600 17846.4371 0.0000 0.0000 34300.3811 -149143.0572 299.5538 -183443.4383 -149049.5687 298.6915 -78.6394 -46.4840 559481.1275 6.8874 6.8993 PRESSURE: 264600 -114.833 32.8916 -26.6226 32.8903 -65.8384 -47.0664 -26.6231 -47.0679 -283.765 GPRESSURE: 264600 -102.279 0.456383 -41.5596 46.2529 -7.16741 -14.9116 13.4787 -60.3 -274.711 PRESSAVG: 264600 -44.1685 35.699 -14.3501 35.699 5.61581 25.9874 -14.35 25.9874 43.3492 GPRESSAVG: 264600 -42.8985 34.4242 -15.0571 32.6546 3.25303 24.0958 -16.0832 28.7631 44.4116 TIMING: 264600 CPU: 782.56, 0.00299894/step Wall: 782.56, 0.00299894/step, 3.94477 hours remaining, 202.433594 MB of memory in use. ENERGY: 264600 756.8136 2094.5789 1957.3345 116.1415 -206072.2484 17505.0745 0.0000 0.0000 34226.1482 -149416.1572 298.9055 -183642.3054 -149312.6978 299.5083 -154.8120 -128.0525 557878.3937 1.5988 1.5887 PRESSURE: 264800 -127.904 -31.1586 -18.2808 -31.1596 -74.9538 221.588 -18.2801 221.587 127.139 GPRESSURE: 264800 -66.0376 -45.3139 -17.2064 -71.8139 27.6433 217.05 43.5059 113.059 66.9312 PRESSAVG: 264800 -67.1186 38.774 -19.295 38.774 37.6368 -27.3985 -19.295 -27.3984 19.383 GPRESSAVG: 264800 -68.3549 39.1367 -18.3395 38.5899 39.6493 -26.0443 -20.0859 -30.1043 19.0029 TIMING: 264800 CPU: 783.154, 0.00296771/step Wall: 783.154, 0.00296771/step, 3.90353 hours remaining, 202.433594 MB of memory in use. ENERGY: 264800 749.8678 2049.1268 1937.5014 114.0713 -206105.6997 17816.4889 0.0000 0.0000 34036.2726 -149402.3711 297.2472 -183438.6436 -149310.4677 298.6682 -25.2396 9.5123 558485.3189 -3.3663 -3.2342 PRESSURE: 265000 198.442 -140.081 -33.9961 -140.079 230.223 -11.4295 -33.9961 -11.431 3.94995 GPRESSURE: 265000 208.421 -142.769 -90.4645 -93.6209 255.237 -1.43612 -50.0404 36.3428 76.4794 PRESSAVG: 265000 -13.0476 9.43918 31.911 9.43917 54.5626 27.0172 31.9111 27.0173 -0.585679 GPRESSAVG: 265000 -12.3067 9.08572 30.2398 10.8444 53.5289 25.8364 32.3175 28.8798 0.532143 TIMING: 265000 CPU: 783.744, 0.00295155/step Wall: 783.744, 0.00295155/step, 3.88211 hours remaining, 202.433594 MB of memory in use. ENERGY: 265000 747.6318 2050.5807 1960.9213 102.0924 -206503.1234 18039.6610 0.0000 0.0000 34236.8174 -149365.4188 298.9986 -183602.2363 -149267.1124 298.6418 144.2052 180.0458 556855.5669 13.6431 13.9181 PRESSURE: 265200 -186.751 -148.904 62.2235 -148.904 -278.23 -27.4921 62.2225 -27.4908 39.1138 GPRESSURE: 265200 -87.7155 -74.9705 79.1389 -226.983 -271.94 -44.8565 89.6386 -69.3457 25.2081 PRESSAVG: 265200 -65.1826 -64.1823 -28.7588 -64.1822 52.4962 -71.6567 -28.7589 -71.6567 -4.55798 GPRESSAVG: 265200 -65.3983 -64.4096 -29.1271 -62.0959 53.4572 -72.4192 -28.7521 -71.9911 -5.77055 TIMING: 265200 CPU: 784.338, 0.00296776/step Wall: 784.338, 0.00296776/step, 3.90327 hours remaining, 202.433594 MB of memory in use. ENERGY: 265200 743.0029 2057.2349 1964.4877 108.7683 -205878.6712 17446.6847 0.0000 0.0000 34039.5010 -149518.9917 297.2754 -183558.4926 -149432.9764 298.2143 -141.9556 -111.4826 558241.3531 -5.7481 -5.9039 PRESSURE: 265400 -166.525 -75.1317 27.6019 -75.1299 -158.752 96.8208 27.6017 96.8214 -172.025 GPRESSURE: 265400 -187.177 -101.571 35.5325 -41.5367 -96.9336 168.423 -33.42 111.809 -121.484 PRESSAVG: 265400 44.4005 -25.6073 -36.0975 -25.6073 -20.0495 23.9342 -36.0975 23.9341 -4.96282 GPRESSAVG: 265400 45.4819 -23.1936 -35.3393 -29.0906 -20.9136 25.1024 -35.7954 23.4482 -5.43788 TIMING: 265400 CPU: 784.929, 0.00295702/step Wall: 784.929, 0.00295702/step, 3.88897 hours remaining, 202.433594 MB of memory in use. ENERGY: 265400 724.8583 2083.7913 1939.2005 106.0888 -206120.5683 17478.6282 0.0000 0.0000 34211.4555 -149576.5456 298.7771 -183788.0011 -149479.2527 298.0691 -165.7674 -135.1982 557002.4726 6.4627 6.3768 PRESSURE: 265600 -74.8875 -51.9877 -67.7857 -51.9871 -81.2291 103.959 -67.7854 103.96 22.6376 GPRESSURE: 265600 -79.8058 -63.0524 -50.7003 29.4098 -14.1007 98.6641 -70.6505 175.998 61.2183 PRESSAVG: 265600 36.5428 0.841566 7.75014 0.841518 12.4348 36.4799 7.75007 36.4799 -45.0083 GPRESSAVG: 265600 35.2129 -0.516912 10.0381 3.75183 12.7962 37.5677 7.15817 35.2132 -44.0562 TIMING: 265600 CPU: 785.518, 0.00294366/step Wall: 785.518, 0.00294366/step, 3.87124 hours remaining, 202.519531 MB of memory in use. ENERGY: 265600 705.9749 2080.0454 1961.5870 123.3567 -206462.2732 17853.8803 0.0000 0.0000 34220.5490 -149516.8799 298.8566 -183737.4289 -149422.3099 298.3921 -44.4930 -10.8961 557372.7005 1.3231 1.3176 PRESSURE: 265800 -260.359 -124.151 138.352 -124.151 19.0878 -129.277 138.353 -129.276 -63.8679 GPRESSURE: 265800 -212.66 -117.183 118.808 -120.273 96.4665 -170.946 198.83 -91.6328 -96.5263 PRESSAVG: 265800 2.98448 2.20794 -41.1924 2.20789 26.905 4.07624 -41.1925 4.07625 -35.8794 GPRESSAVG: 265800 3.03629 -1.17949 -43.177 3.17388 26.4121 4.42622 -40.1438 3.82663 -35.6271 TIMING: 265800 CPU: 786.106, 0.0029427/step Wall: 786.106, 0.0029427/step, 3.86982 hours remaining, 202.519531 MB of memory in use. ENERGY: 265800 712.7042 2048.6231 1953.3953 125.7430 -206332.9540 17742.4467 0.0000 0.0000 34344.5995 -149405.4420 299.9399 -183750.0415 -149308.2871 298.8153 -101.7129 -70.9067 558671.2932 -1.9967 -2.0596 PRESSURE: 266000 -319.508 46.3156 -145.375 46.3156 99.1223 123.911 -145.373 123.909 -168.929 GPRESSURE: 266000 -236.862 -24.6057 -147.136 83.8408 123.463 155.692 -93.1455 137.448 -179.723 PRESSAVG: 266000 -10.9086 -0.887929 -31.6374 -0.887998 63.4347 -6.80571 -31.6374 -6.80579 -47.9992 GPRESSAVG: 266000 -9.68669 2.21866 -30.4078 -2.19003 62.8423 -8.03073 -33.4531 -4.47793 -48.4949 TIMING: 266000 CPU: 786.691, 0.00292251/step Wall: 786.691, 0.00292251/step, 3.8431 hours remaining, 202.519531 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: 266000 755.0916 2054.0449 1945.8633 121.4852 -205966.3359 17699.0341 0.0000 0.0000 33995.1779 -149395.6389 296.8883 -183390.8168 -149299.2877 298.4223 -129.7715 -97.7072 558673.1155 1.5089 1.5536 PRESSURE: 266200 -275.013 52.8245 246.037 52.8253 -181.405 53.9171 246.036 53.9156 -195.883 GPRESSURE: 266200 -189.621 70.7222 213.29 78.0261 -148.904 71.7474 235.59 -36.1304 -214.396 PRESSAVG: 266200 41.8824 43.348 19.8109 43.348 -10.7382 24.0446 19.8109 24.0445 -1.62346 GPRESSAVG: 266200 42.8337 43.2742 17.9068 42.9359 -10.9128 26.0448 21.8135 21.4005 -2.30702 TIMING: 266200 CPU: 787.279, 0.00293885/step Wall: 787.279, 0.00293885/step, 3.86442 hours remaining, 202.519531 MB of memory in use. ENERGY: 266200 739.0393 2103.6517 1949.4134 111.8731 -205671.8541 17262.4642 0.0000 0.0000 34185.8686 -149319.5438 298.5537 -183505.4124 -149223.0935 298.7231 -217.4335 -184.3070 556920.2876 9.8402 9.8713 PRESSURE: 266400 -99.5912 86.525 -163.236 86.5271 195.102 -8.91123 -163.237 -8.9113 -9.25766 GPRESSURE: 266400 -70.6753 114.428 -128.483 71.5284 219.742 -10.3134 -199.15 -38.3031 37.9917 PRESSAVG: 266400 -41.3329 50.5001 24.7999 50.5002 6.51754 -12.0731 24.7998 -12.073 53.8056 GPRESSAVG: 266400 -42.5524 50.3838 25.7974 50.8979 6.27659 -13.2729 22.6129 -10.8667 54.9323 TIMING: 266400 CPU: 787.871, 0.00296363/step Wall: 787.871, 0.00296363/step, 3.89685 hours remaining, 202.718750 MB of memory in use. ENERGY: 266400 744.1080 2009.6540 1946.7159 99.7730 -206276.3997 17865.8815 0.0000 0.0000 34108.5553 -149501.7120 297.8785 -183610.2673 -149402.0346 298.4690 28.7510 62.3528 555902.3189 6.3301 6.2188 PRESSURE: 266600 147.033 143.801 40.7094 143.8 72.2345 -1.4774 40.7088 -1.47634 68.1998 GPRESSURE: 266600 161.094 154.886 -10.9386 111.768 122.444 68.6456 83.7404 6.56423 111.409 PRESSAVG: 266600 14.0912 50.0988 -54.2828 50.099 41.3078 39.5315 -54.2827 39.5314 -45.2018 GPRESSAVG: 266600 13.1227 49.7693 -55.3104 49.1898 41.3752 37.4845 -52.9494 40.9776 -44.5428 TIMING: 266600 CPU: 788.472, 0.003004/step Wall: 788.472, 0.003004/step, 3.94976 hours remaining, 202.718750 MB of memory in use. ENERGY: 266600 736.9837 2051.9433 1940.9344 115.3165 -206791.1998 18179.9852 0.0000 0.0000 34220.5911 -149545.4457 298.8569 -183766.0368 -149446.3569 298.4244 95.8226 131.6492 556906.3348 3.3991 3.3183 PRESSURE: 266800 -294.159 -128.259 50.1602 -128.259 243.444 1.342 50.1606 1.34186 32.5928 GPRESSURE: 266800 -198.667 -165.432 147.118 -131.354 249.167 33.9303 -12.2593 -46.5215 36.0507 PRESSAVG: 266800 -23.6201 -2.69157 12.0806 -2.69161 -18.2626 -17.0043 12.0806 -17.0043 -23.6763 GPRESSAVG: 266800 -23.8717 -1.34227 12.4096 -3.10104 -18.415 -15.4963 11.8982 -18.2276 -23.8339 TIMING: 266800 CPU: 789.065, 0.0029629/step Wall: 789.065, 0.0029629/step, 3.89555 hours remaining, 202.718750 MB of memory in use. ENERGY: 266800 751.2331 2047.0901 1935.9126 100.7217 -206256.7355 17745.9504 0.0000 0.0000 34193.8199 -149482.0076 298.6231 -183675.8275 -149385.6268 298.0367 -6.0410 28.8500 556627.6975 -21.8530 -22.0402 PRESSURE: 267000 94.8193 -229.856 -97.5448 -229.856 -44.7902 49.3814 -97.5456 49.382 -41.5933 GPRESSURE: 267000 121.487 -250.153 -70.6902 -187.098 -29.9335 85.1077 -46.1888 -21.0058 21.8051 PRESSAVG: 267000 34.546 -18.8763 -21.6446 -18.8763 -40.6402 8.38404 -21.6447 8.38404 8.61977 GPRESSAVG: 267000 32.9507 -19.4091 -21.8739 -18.2751 -39.3199 7.08714 -20.3458 7.75479 9.13035 TIMING: 267000 CPU: 789.657, 0.00296077/step Wall: 789.657, 0.00296077/step, 3.89259 hours remaining, 202.718750 MB of memory in use. ENERGY: 267000 717.5978 2065.8502 1947.2308 110.5155 -205998.1756 17597.3168 0.0000 0.0000 34120.5728 -149439.0916 297.9834 -183559.6645 -149341.9560 298.2210 2.8119 37.7863 556380.0629 0.8419 0.9204 PRESSURE: 267200 -95.1133 -131.43 98.9076 -131.431 -271.225 -74.7902 98.9082 -74.7892 -54.2627 GPRESSURE: 267200 -97.0289 -124.351 107.277 -148.982 -215.154 -107.982 -30.2416 -62.641 -17.2943 PRESSAVG: 267200 70.9332 -45.9823 -17.3394 -45.9823 -47.7756 3.6703 -17.3395 3.67027 1.91305 GPRESSAVG: 267200 73.4511 -44.7137 -17.5983 -47.0288 -49.5548 3.56967 -18.3531 4.02064 1.33697 TIMING: 267200 CPU: 790.248, 0.00295321/step Wall: 790.248, 0.00295321/step, 3.88249 hours remaining, 202.718750 MB of memory in use. ENERGY: 267200 755.7409 2052.4400 1954.1725 112.5719 -205954.4102 17480.3458 0.0000 0.0000 34130.5861 -149468.5530 298.0709 -183599.1391 -149372.9961 298.0346 -140.2004 -109.8258 556718.0014 8.3569 8.4111 PRESSURE: 267400 137.676 -10.149 -11.0139 -10.1482 -73.4377 -71.1008 -11.0127 -71.1022 82.0085 GPRESSURE: 267400 192.185 46.3321 -64.4348 -107.124 -35.8272 -78.8301 -58.0268 -34.0245 89.5361 PRESSAVG: 267400 -7.99715 -5.87825 -44.1188 -5.87835 -0.864775 -37.3965 -44.1188 -37.3965 26.6593 GPRESSAVG: 267400 -8.06178 -6.43277 -43.5762 -6.45734 0.255334 -32.9404 -44.2669 -38.3231 25.9443 TIMING: 267400 CPU: 790.839, 0.00295659/step Wall: 790.839, 0.00295659/step, 3.88677 hours remaining, 202.718750 MB of memory in use. ENERGY: 267400 763.9713 2075.2108 1956.8677 111.4095 -206272.1528 17848.1204 0.0000 0.0000 34112.7137 -149403.8593 297.9148 -183516.5731 -149311.5614 298.5103 48.7491 81.9645 555867.0831 5.9325 6.0460 PRESSURE: 267600 216.637 -29.0629 -57.0633 -29.0629 8.36383 -40.2117 -57.0627 -40.2119 -309.362 GPRESSURE: 267600 203.603 36.2483 -6.74764 -47.7162 82.7763 -52.6414 -75.8664 10.4332 -283.101 PRESSAVG: 267600 46.2296 -54.2638 -34.6063 -54.2638 0.894813 23.5767 -34.6063 23.5767 -18.4473 GPRESSAVG: 267600 45.8147 -51.9866 -34.5351 -53.0427 -0.260658 21.8806 -34.6248 24.6227 -16.6025 TIMING: 267600 CPU: 791.428, 0.00294309/step Wall: 791.428, 0.00294309/step, 3.86885 hours remaining, 202.718750 MB of memory in use. ENERGY: 267600 740.4436 2051.4382 1976.6541 112.6565 -206503.8119 17812.1286 0.0000 0.0000 34326.2310 -149484.2598 299.7795 -183810.4908 -149393.1399 299.1656 -28.1206 1.0928 557717.0549 9.5590 9.6505 PRESSURE: 267800 232.129 -124.713 -166.455 -124.714 -31.1228 92.1159 -166.455 92.1152 55.6067 GPRESSURE: 267800 282.39 -114.723 -164.454 -88.5519 -24.2742 -2.64918 -143.329 159.608 89.7772 PRESSAVG: 267800 -36.7524 -26.9665 -42.3338 -26.9665 2.73387 45.2157 -42.3337 45.2156 40.952 GPRESSAVG: 267800 -36.4892 -30.162 -40.9097 -25.6816 2.92034 43.7706 -41.4279 44.4734 41.0349 TIMING: 267800 CPU: 792.018, 0.0029518/step Wall: 792.018, 0.0029518/step, 3.88014 hours remaining, 202.718750 MB of memory in use. ENERGY: 267800 709.1010 2039.5535 1954.4576 119.7087 -206326.0492 17944.7033 0.0000 0.0000 33969.4501 -149589.0748 296.6637 -183558.5250 -149494.6961 297.6308 85.5376 115.9642 558240.9053 2.3112 2.4887 PRESSURE: 268000 164.687 14.8379 -60.64 14.8393 66.4615 -108.363 -60.6399 -108.364 -84.6096 GPRESSURE: 268000 178.133 -66.445 -52.2093 59.3626 128.468 -81.7603 -45.289 -134.235 -67.6281 PRESSAVG: 268000 6.83772 -1.64491 6.79453 -1.64482 35.7254 22.09 6.79456 22.09 39.3819 GPRESSAVG: 268000 7.07118 -1.61851 5.4561 -2.7174 35.9278 22.6757 6.71839 21.7486 38.7571 TIMING: 268000 CPU: 792.608, 0.00295052/step Wall: 792.608, 0.00295052/step, 3.87829 hours remaining, 202.718750 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: 268000 735.2221 2055.9277 1954.2181 110.6825 -206519.4715 17942.1303 0.0000 0.0000 34338.0392 -149383.2517 299.8826 -183721.2908 -149287.7113 298.3867 48.8464 79.6578 556273.8100 27.3150 27.2520 PRESSURE: 268200 57.5463 -179.359 -154.288 -179.359 -274.876 -48.8349 -154.287 -48.8338 6.00989 GPRESSURE: 268200 106.149 -157.962 -151.655 -148.314 -285.28 -43.8207 -143.992 -89.6103 62.505 PRESSAVG: 268200 71.4597 -15.2111 11.3821 -15.2111 -103.791 40.9005 11.382 40.9006 23.759 GPRESSAVG: 268200 71.0307 -13.6644 12.3374 -15.4009 -103.513 41.1415 10.9092 40.1831 24.1958 TIMING: 268200 CPU: 793.196, 0.00294173/step Wall: 793.196, 0.00294173/step, 3.86658 hours remaining, 202.718750 MB of memory in use. ENERGY: 268200 764.4992 2033.9682 1972.8448 116.2807 -206286.3278 17835.8830 0.0000 0.0000 34319.3889 -149243.4630 299.7198 -183562.8519 -149147.4813 298.9533 -70.4401 -38.8751 557570.8462 -2.8574 -2.7621 LDB: ============= START OF LOAD BALANCING ============== 796.62 LDB: ============== END OF LOAD BALANCING =============== 796.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 796.621 LDB: ============= START OF LOAD BALANCING ============== 796.918 LDB: Largest compute 4848 load 0.027457 is 23.3% of average load 0.117767 LDB: Average compute 0.001739 is 1.5% of average load 0.117767 LDB: TIME 796.92 LOAD: AVG 0.117767 MAX 0.195452 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.434 MB LDB: TIME 796.921 LOAD: AVG 0.117767 MAX 0.195452 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.438 MB LDB: TIME 796.921 LOAD: AVG 0.117767 MAX 0.195452 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 796.923 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 796.927 PRESSURE: 268400 49.4769 15.2434 137.88 15.2426 -36.6159 87.0495 137.88 87.0489 4.40575 GPRESSURE: 268400 131.536 98.1629 138.217 35.2373 -57.9392 64.3497 63.8337 109.223 45.1462 PRESSAVG: 268400 -28.4983 10.9133 -10.2586 10.9132 21.7348 19.8402 -10.2587 19.8402 16.7134 GPRESSAVG: 268400 -27.453 8.7522 -9.84304 10.3847 21.266 19.4881 -11.9744 21.2805 16.5313 TIMING: 268400 CPU: 793.797, 0.00300403/step Wall: 793.797, 0.00300403/step, 3.9483 hours remaining, 204.414062 MB of memory in use. ENERGY: 268400 781.3517 2060.4688 1931.1069 113.5520 -206232.6969 17810.3977 0.0000 0.0000 34223.3077 -149312.5122 298.8807 -183535.8199 -149214.0852 299.3568 5.7556 39.5811 553932.8042 3.3166 3.4481 PRESSURE: 268600 -188.431 -25.5134 135.837 -25.5121 -310.046 104.946 135.837 104.944 -478.655 GPRESSURE: 268600 -204.857 38.2751 146.588 -71.9247 -236.252 139.399 221.258 2.79041 -441.338 PRESSAVG: 268600 -8.37684 -36.5352 -5.52212 -36.5352 -13.4312 -5.04875 -5.5221 -5.04865 20.9616 GPRESSAVG: 268600 -9.26228 -33.7822 -4.99299 -37.4279 -13.8522 -5.55855 -4.07005 -4.91626 21.5406 TIMING: 268600 CPU: 794.389, 0.00295739/step Wall: 794.389, 0.00295739/step, 3.88684 hours remaining, 204.742188 MB of memory in use. ENERGY: 268600 784.2392 2070.8268 1946.7027 111.9203 -205926.2810 17343.3147 0.0000 0.0000 34233.4735 -149435.8037 298.9694 -183669.2772 -149332.5295 299.5474 -325.7105 -294.1492 557986.4667 -0.2822 -0.5246 PRESSURE: 268800 11.3642 -29.2339 -125.773 -29.2339 -15.6767 -37.4978 -125.774 -37.4993 37.7809 GPRESSURE: 268800 37.9708 -18.2829 -83.0576 -44.4824 36.5467 -88.9882 -239.21 8.89804 61.264 PRESSAVG: 268800 54.0289 -4.21121 -15.7289 -4.21117 -15.3643 -5.31579 -15.7288 -5.31582 -20.9904 GPRESSAVG: 268800 54.9024 -5.68855 -19.1377 -1.25008 -15.3592 -5.15324 -15.6118 -5.31295 -21.4178 TIMING: 268800 CPU: 794.978, 0.00294921/step Wall: 794.978, 0.00294921/step, 3.87592 hours remaining, 204.847656 MB of memory in use. ENERGY: 268800 719.7812 2071.0608 1958.9125 114.2633 -205940.7958 17740.9024 0.0000 0.0000 34111.6276 -149224.2480 297.9053 -183335.8756 -149135.7217 299.1588 11.1562 45.2605 559012.3793 5.8914 6.0418 PRESSURE: 269000 -346.207 138.694 -74.1287 138.695 -221.731 197.813 -74.1285 197.811 49.8512 GPRESSURE: 269000 -318.173 125.041 -51.2124 97.9979 -195.127 184.337 -82.9874 169.338 81.5031 PRESSAVG: 269000 -14.2949 -38.192 -62.3105 -38.192 -5.22638 5.60647 -62.3105 5.60664 38.3573 GPRESSAVG: 269000 -14.4312 -39.4138 -61.6974 -40.0743 -4.31722 5.18278 -62.5779 5.69778 37.8349 TIMING: 269000 CPU: 795.57, 0.00295861/step Wall: 795.57, 0.00295861/step, 3.88811 hours remaining, 204.847656 MB of memory in use. ENERGY: 269000 724.5736 2133.9540 1921.0621 117.0166 -205992.1125 17620.5258 0.0000 0.0000 34251.6062 -149223.3742 299.1278 -183474.9804 -149127.5471 299.2019 -172.6954 -143.9321 559465.1925 6.2787 6.3621 PRESSURE: 269200 -19.3674 -29.5733 -3.03413 -29.5738 -98.2923 15.0328 -3.03442 15.0324 70.233 GPRESSURE: 269200 20.9398 28.6471 -43.7233 -6.51842 -85.5343 -60.6913 14.9746 56.8674 112.676 PRESSAVG: 269200 -54.6022 -0.563624 -10.5697 -0.563668 33.7908 4.00853 -10.5697 4.00854 38.4559 GPRESSAVG: 269200 -54.8215 1.25362 -10.8266 -1.99308 33.6893 4.23892 -11.47 3.41708 38.4685 TIMING: 269200 CPU: 796.161, 0.00295634/step Wall: 796.161, 0.00295634/step, 3.88496 hours remaining, 204.847656 MB of memory in use. ENERGY: 269200 746.2737 2089.0982 1959.4734 119.7839 -206141.5080 17802.2745 0.0000 0.0000 34287.3860 -149137.2182 299.4403 -183424.6042 -149039.5701 299.5273 -15.8089 16.0273 557832.4691 5.8815 5.7788 PRESSURE: 269400 7.90108 -109.887 149.607 -109.888 -182.601 49.6932 149.608 49.6929 147.434 GPRESSURE: 269400 57.6109 -149.075 70.6403 -157.429 -139.515 23.3507 117.509 32.314 158.842 PRESSAVG: 269400 -21.371 -50.7777 -7.92475 -50.7778 -36.0085 -1.95382 -7.9247 -1.95364 14.8303 GPRESSAVG: 269400 -21.5504 -50.3925 -8.17772 -50.0226 -37.0093 -1.63832 -7.46032 -2.34925 16.07 TIMING: 269400 CPU: 796.754, 0.00296381/step Wall: 796.754, 0.00296381/step, 3.89461 hours remaining, 204.847656 MB of memory in use. ENERGY: 269400 778.4435 2136.9904 1949.6979 118.1071 -205996.9247 17715.8907 0.0000 0.0000 34312.2374 -148985.5577 299.6573 -183297.7951 -148885.7417 299.5198 -9.0884 25.6458 558493.4628 -14.1831 -14.1632 PRESSURE: 269600 12.7162 -60.9424 22.1519 -60.943 262.165 183.156 22.1525 183.158 -58.254 GPRESSURE: 269600 46.9441 -115.288 -43.5771 22.3662 254.244 197.434 22.7158 217.219 5.13643 PRESSAVG: 269600 -38.0711 1.60895 -14.1198 1.60894 11.0851 -30.7008 -14.1198 -30.7009 2.65414 GPRESSAVG: 269600 -38.0616 0.847066 -13.8487 1.77566 11.6408 -30.7572 -13.3198 -30.8475 1.99259 TIMING: 269600 CPU: 797.348, 0.00297142/step Wall: 797.348, 0.00297142/step, 3.90445 hours remaining, 204.847656 MB of memory in use. ENERGY: 269600 757.9587 2106.1167 1946.4589 131.8882 -206317.6440 17949.3762 0.0000 0.0000 34378.8085 -149047.0369 300.2387 -183425.8454 -148941.5267 299.6731 72.2091 102.1083 557929.3377 -8.1106 -8.1427 PRESSURE: 269800 -172.173 -19.5058 -117.626 -19.5067 -64.8782 -128.968 -117.627 -128.966 -0.724066 GPRESSURE: 269800 -139.527 74.0219 -145.759 -10.7906 -8.22674 -167.662 -147.365 -134.088 26.8449 PRESSAVG: 269800 -15.6772 -30.3275 -49.9796 -30.3275 39.861 14.2936 -49.9797 14.2935 45.1941 GPRESSAVG: 269800 -14.2754 -27.9421 -50.7776 -30.7892 39.3537 13.771 -49.8499 14.1746 44.3801 TIMING: 269800 CPU: 797.942, 0.00296877/step Wall: 797.942, 0.00296877/step, 3.9008 hours remaining, 204.847656 MB of memory in use. ENERGY: 269800 783.2881 2148.5072 1957.6387 107.9780 -206027.4383 17673.0146 0.0000 0.0000 34233.1022 -149123.9096 298.9662 -183357.0118 -149033.8370 299.4866 -79.2585 -40.3028 558030.1302 23.1259 23.1528 PRESSURE: 270000 253.486 47.337 27.4266 47.3354 -258.981 -35.4705 27.4273 -35.4689 123.434 GPRESSURE: 270000 326.897 59.4291 69.7782 18.1468 -292.327 -49.5819 -4.78359 -42.9148 163.688 PRESSAVG: 270000 -19.1377 -38.065 -35.0528 -38.0651 -49.3363 26.6206 -35.0527 26.6205 86.2872 GPRESSAVG: 270000 -20.5628 -40.5884 -33.0074 -37.662 -49.7658 27.0919 -34.904 27.8747 88.0393 TIMING: 270000 CPU: 798.535, 0.00296159/step Wall: 798.535, 0.00296159/step, 3.8912 hours remaining, 204.847656 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: 270000 741.1657 2145.4514 1950.1104 110.8498 -206295.6721 17931.0309 0.0000 0.0000 34468.2191 -148948.8448 301.0195 -183417.0639 -148845.3554 299.7607 39.3130 66.0861 558600.8938 5.9377 5.9035 PRESSURE: 270200 -99.5951 -92.2011 61.9091 -92.2018 80.7767 60.0442 61.909 60.0428 234.123 GPRESSURE: 270200 -73.7777 -120.776 -16.7249 -76.9818 121.356 29.1268 -15.0087 55.7469 275.395 PRESSAVG: 270200 30.3381 32.4872 -15.517 32.4872 -37.0815 30.3407 -15.5171 30.3407 20.2375 GPRESSAVG: 270200 31.227 33.1489 -16.7181 34.1013 -36.4436 30.7093 -15.238 29.511 18.9565 TIMING: 270200 CPU: 799.128, 0.00296512/step Wall: 799.128, 0.00296512/step, 3.89568 hours remaining, 204.847656 MB of memory in use. ENERGY: 270200 747.2888 2123.1841 1954.4522 125.6411 -205636.3955 17686.4151 0.0000 0.0000 34119.1413 -148880.2729 297.9709 -182999.4142 -148788.1726 299.8538 71.7681 107.6577 557523.0580 4.4980 4.5800 PRESSURE: 270400 101.908 22.2822 -79.9602 22.2826 -5.87613 50.9629 -79.9614 50.9637 -12.9655 GPRESSURE: 270400 135.328 -57.4564 -80.5364 110.863 -17.196 135.666 -88.0479 61.8747 56.5654 PRESSAVG: 270400 11.8954 -0.917749 -44.9671 -0.917669 -44.2287 7.51743 -44.9671 7.51742 55.058 GPRESSAVG: 270400 11.5675 -3.28081 -45.7808 0.537363 -43.7634 7.80232 -45.131 6.86187 55.0104 TIMING: 270400 CPU: 799.717, 0.00294542/step Wall: 799.717, 0.00294542/step, 3.86962 hours remaining, 204.847656 MB of memory in use. ENERGY: 270400 769.4626 2150.6110 1972.9051 103.7905 -206153.5428 17989.4751 0.0000 0.0000 34184.4224 -148982.8762 298.5411 -183167.2985 -148888.3890 299.6734 27.6888 58.2324 557656.1618 7.5749 7.6048 PRESSURE: 270600 196.122 23.1812 220.713 23.1797 -210.339 -86.62 220.712 -86.6202 -0.857725 GPRESSURE: 270600 200.113 -48.5631 260.356 -19.5715 -174.274 -110.443 167.154 -75.4332 54.2987 PRESSAVG: 270600 21.9251 12.195 -7.88385 12.195 3.48546 -64.1216 -7.88384 -64.1216 -20.7508 GPRESSAVG: 270600 20.9269 12.8516 -6.66097 10.5899 3.46511 -64.9216 -8.3589 -64.5328 -20.5081 TIMING: 270600 CPU: 800.306, 0.00294794/step Wall: 800.306, 0.00294794/step, 3.87277 hours remaining, 204.847656 MB of memory in use. ENERGY: 270600 775.1184 2087.3998 1942.4054 106.2541 -206373.8342 18116.2545 0.0000 0.0000 34206.7693 -149139.6327 298.7362 -183346.4020 -149043.2018 299.2242 -5.0248 26.7125 557354.2959 1.5533 1.2946 PRESSURE: 270800 -275.76 -209.162 9.07077 -209.162 -248.046 -103.637 9.06963 -103.636 -80.8189 GPRESSURE: 270800 -218.814 -250.194 -104.028 -190.749 -250.851 -115.959 -12.2909 -138.19 -12.561 PRESSAVG: 270800 1.64501 -0.631755 -5.15196 -0.631819 10.1051 -6.76201 -5.15199 -6.76194 8.53764 GPRESSAVG: 270800 1.72978 1.32712 -6.99399 -2.13475 11.0957 -6.2997 -2.64077 -6.12408 7.08055 TIMING: 270800 CPU: 800.894, 0.00293824/step Wall: 800.894, 0.00293824/step, 3.85987 hours remaining, 204.847656 MB of memory in use. ENERGY: 270800 779.9960 2154.4228 1913.6510 101.9639 -206210.8343 17858.5805 0.0000 0.0000 34314.6454 -149087.5747 299.6783 -183402.2201 -148996.8899 299.1648 -201.5414 -160.7420 557933.7407 6.7626 6.6353 PRESSURE: 271000 114.996 66.5014 96.3524 66.5026 -112.802 48.585 96.353 48.5831 -132.1 GPRESSURE: 271000 116.037 82.398 60.0116 10.4801 -56.446 7.56584 88.742 93.1188 -93.1494 PRESSAVG: 271000 0.518685 31.4292 37.0659 31.4292 39.3635 21.8786 37.0659 21.8787 -64.6264 GPRESSAVG: 271000 0.852191 30.2247 38.482 32.2128 39.149 22.0433 35.7553 22.5079 -63.4206 TIMING: 271000 CPU: 801.483, 0.0029472/step Wall: 801.483, 0.0029472/step, 3.87147 hours remaining, 204.847656 MB of memory in use. ENERGY: 271000 742.2586 2054.7494 1934.2036 108.7973 -205930.2067 17704.8339 0.0000 0.0000 34394.5277 -148990.8363 300.3760 -183385.3640 -148890.5944 299.4969 -43.3017 -11.1860 557922.5308 -8.2481 -7.8065 PRESSURE: 271200 133.587 65.7073 149.38 65.7071 -26.8067 -60.0135 149.379 -60.0143 237.524 GPRESSURE: 271200 212.953 -30.413 191.544 121.069 -21.8186 -85.5928 152.372 -67.4638 240.701 PRESSAVG: 271200 -0.193628 -4.31636 30.6368 -4.3164 23.6085 -28.1665 30.6368 -28.1665 14.9157 GPRESSAVG: 271200 0.29201 -5.11746 29.5749 -4.71114 23.1135 -30.098 30.1993 -29.1551 15.1367 TIMING: 271200 CPU: 802.075, 0.00295675/step Wall: 802.075, 0.00295675/step, 3.88385 hours remaining, 204.847656 MB of memory in use. ENERGY: 271200 770.4243 2102.4888 1950.6140 116.1440 -206477.4351 18142.4616 0.0000 0.0000 34365.9260 -149029.3763 300.1262 -183395.3024 -148927.1554 300.2243 114.7681 143.9450 557002.0073 12.7769 12.8474 PRESSURE: 271400 145.615 51.6489 80.3801 51.6486 23.7191 -51.2307 80.3804 -51.2293 -274.978 GPRESSURE: 271400 214.187 9.46343 38.1981 91.6571 46.3403 -70.5049 90.0828 -54.0741 -280.503 PRESSAVG: 271400 -17.4925 -43.0309 26.0226 -43.0309 25.9579 -10.5091 26.0226 -10.509 -4.28852 GPRESSAVG: 271400 -17.4928 -43.8995 26.7634 -42.3382 25.8261 -6.99478 26.9273 -10.7409 -3.39997 TIMING: 271400 CPU: 802.663, 0.00294246/step Wall: 802.663, 0.00294246/step, 3.86493 hours remaining, 204.847656 MB of memory in use. ENERGY: 271400 768.0820 2067.4049 1964.6137 104.9214 -205952.0120 17701.2308 0.0000 0.0000 34303.9494 -149041.8097 299.5849 -183345.7591 -148943.4752 300.2887 -35.2146 -6.6585 557106.2266 1.3923 1.6444 PRESSURE: 271600 12.7802 -25.0732 -58.9348 -25.0732 64.3915 155.371 -58.936 155.37 -136.175 GPRESSURE: 271600 66.5865 -42.2457 -37.9694 110.206 51.0565 88.6074 -124.857 119.988 -80.7873 PRESSAVG: 271600 50.865 -21.1935 7.62602 -21.1935 -49.1262 -22.9488 7.62607 -22.9488 -37.0186 GPRESSAVG: 271600 51.7669 -19.3833 7.08041 -22.3176 -49.6348 -24.8698 7.08025 -22.4217 -37.4387 TIMING: 271600 CPU: 803.252, 0.00294603/step Wall: 803.252, 0.00294603/step, 3.86945 hours remaining, 204.847656 MB of memory in use. ENERGY: 271600 751.4688 2154.3628 1982.9007 118.1746 -206129.4642 17900.6392 0.0000 0.0000 34393.0119 -148828.9062 300.3627 -183221.9181 -148727.0033 300.2901 -19.6677 12.2853 557722.1569 -11.7599 -11.7689 PRESSURE: 271800 -404.883 1.40617 -48.0367 1.40746 -184.107 30.4231 -48.0364 30.4238 -181.044 GPRESSURE: 271800 -354.717 95.1032 -45.986 13.3295 -131.403 84.8027 -2.86818 -40.6997 -183.349 PRESSAVG: 271800 24.297 -18.806 -17.6068 -18.8059 5.00973 -12.3558 -17.6067 -12.3558 5.68825 GPRESSAVG: 271800 23.5975 -18.8004 -16.2343 -18.1805 5.61787 -12.2692 -19.977 -13.8432 5.81228 TIMING: 271800 CPU: 803.844, 0.00295631/step Wall: 803.844, 0.00295631/step, 3.88279 hours remaining, 204.847656 MB of memory in use. ENERGY: 271800 765.0154 2095.2928 1976.5730 106.5575 -205852.4507 17466.7295 0.0000 0.0000 34595.8001 -148846.4823 302.1337 -183442.2825 -148741.5364 300.7489 -256.6779 -223.1562 558676.9567 11.6650 11.6759 PRESSURE: 272000 -110.183 124.309 80.2448 124.309 -17.4912 -49.4975 80.2459 -49.4985 166.635 GPRESSURE: 272000 -71.0921 127.745 140.546 150.66 43.9049 -81.703 49.6535 -134.429 179.626 PRESSAVG: 272000 44.7807 -0.158864 13.7531 -0.158886 -48.756 24.2248 13.7531 24.2248 21.0979 GPRESSAVG: 272000 45.5876 -0.204444 12.6819 -0.633482 -48.6462 23.9623 15.6998 24.9669 20.2983 TIMING: 272000 CPU: 804.436, 0.0029611/step Wall: 804.436, 0.0029611/step, 3.88891 hours remaining, 204.847656 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: 272000 784.4215 2088.3426 1929.8882 104.3529 -205739.2047 17712.8528 0.0000 0.0000 34113.3277 -149006.0189 297.9202 -183119.3466 -148910.6145 299.9529 12.9867 50.8129 557554.4744 5.7075 5.7466 PRESSURE: 272200 -131.033 167.274 77.0848 167.275 -141.194 -56.553 77.0854 -56.5528 -34.1353 GPRESSURE: 272200 -116.922 153.153 156.539 154.084 -119.399 -35.3289 73.8021 -31.0927 30.8749 PRESSAVG: 272200 1.74927 29.6725 27.5137 29.6725 -89.081 25.0365 27.5137 25.0365 50.6117 GPRESSAVG: 272200 1.06072 30.1204 27.0949 30.7667 -89.6312 24.3407 26.9757 25.9451 51.9218 TIMING: 272200 CPU: 805.019, 0.00291742/step Wall: 805.019, 0.00291742/step, 3.83138 hours remaining, 204.847656 MB of memory in use. ENERGY: 272200 796.1208 2047.9775 1954.4401 106.3772 -205876.2613 17646.1038 0.0000 0.0000 34375.4667 -148949.7752 300.2095 -183325.2419 -148854.3963 300.5271 -102.1206 -68.4823 559156.8123 -12.2400 -12.2162 LDB: ============= START OF LOAD BALANCING ============== 808.444 LDB: ============== END OF LOAD BALANCING =============== 808.444 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 808.445 LDB: ============= START OF LOAD BALANCING ============== 808.74 LDB: Largest compute 4848 load 0.028117 is 23.9% of average load 0.117606 LDB: Average compute 0.001731 is 1.5% of average load 0.117606 LDB: TIME 808.742 LOAD: AVG 0.117606 MAX 0.197574 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.586 MB LDB: TIME 808.743 LOAD: AVG 0.117606 MAX 0.197574 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.625 MB LDB: TIME 808.743 LOAD: AVG 0.117606 MAX 0.197574 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 808.745 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 808.748 PRESSURE: 272400 12.9822 -166.474 138.641 -166.473 -71.2549 50.9258 138.641 50.9256 63.827 GPRESSURE: 272400 38.4271 -122.336 180.844 -143.748 -13.9872 -30.7452 77.2482 10.1048 69.622 PRESSAVG: 272400 -44.7449 26.1292 73.0269 26.1292 7.43502 32.9392 73.027 32.9392 39.1798 GPRESSAVG: 272400 -43.7413 27.3392 73.9419 27.3025 7.82047 33.2716 70.9617 30.8042 37.8806 TIMING: 272400 CPU: 805.619, 0.00299722/step Wall: 805.619, 0.00299722/step, 3.93601 hours remaining, 203.328125 MB of memory in use. ENERGY: 272400 697.1178 2131.6512 1967.5607 116.4984 -205833.6932 17589.0536 0.0000 0.0000 34268.6628 -149063.1486 299.2768 -183331.8114 -148963.7075 299.5638 1.8514 31.3540 558077.2061 0.6233 0.6533 PRESSURE: 272600 4.58604 72.0421 102.718 72.0423 76.8918 -116.685 102.719 -116.684 185.742 GPRESSURE: 272600 70.4046 123.434 63.0861 51.9516 123.865 -105.087 59.2492 -170.904 177.56 PRESSAVG: 272600 4.30781 13.2621 81.6487 13.2622 -17.9673 56.6669 81.6486 56.6668 17.2307 GPRESSAVG: 272600 4.71534 13.6315 80.9926 10.9265 -18.6272 55.0172 84.0224 59.524 17.2656 TIMING: 272600 CPU: 806.206, 0.00293769/step Wall: 806.206, 0.00293769/step, 3.85768 hours remaining, 203.328125 MB of memory in use. ENERGY: 272600 737.6065 2095.6599 1948.5691 121.7753 -206246.1098 17961.0937 0.0000 0.0000 34351.7457 -149029.6596 300.0023 -183381.4053 -148919.5835 299.6096 89.0732 123.9431 556942.5250 1.1904 1.1179 PRESSURE: 272800 142.103 46.2695 -128.911 46.2683 -195.953 18.8445 -128.91 18.8439 -361.678 GPRESSURE: 272800 90.1282 34.6461 -104.795 -35.8356 -121.287 28.2119 -221.935 32.8768 -303.539 PRESSAVG: 272800 -4.05618 -3.44937 29.8304 -3.44933 55.6523 -40.1687 29.8304 -40.1687 1.00403 GPRESSAVG: 272800 -6.01425 -4.92345 30.1743 -2.89527 56.3269 -37.5945 28.8669 -40.858 1.64309 TIMING: 272800 CPU: 806.799, 0.00296289/step Wall: 806.799, 0.00296289/step, 3.8906 hours remaining, 203.328125 MB of memory in use. ENERGY: 272800 754.5784 2064.8870 1950.3321 105.1118 -205715.4380 17522.1815 0.0000 0.0000 34384.2071 -148934.1402 300.2858 -183318.3473 -148846.7489 299.5812 -138.5093 -111.5661 556810.2907 17.5334 17.3186 PRESSURE: 273000 -71.9122 13.2585 117.098 13.2577 -488.473 117.705 117.097 117.706 -357.553 GPRESSURE: 273000 -72.3069 -50.205 177.647 -67.3015 -423.308 70.8709 98.492 139.017 -331.294 PRESSAVG: 273000 45.5692 13.0564 80.0885 13.0562 -36.7275 14.9803 80.0885 14.9802 -74.6501 GPRESSAVG: 273000 45.5358 14.3649 81.8364 11.7167 -37.3531 14.0753 77.8403 14.9419 -73.7269 TIMING: 273000 CPU: 807.397, 0.00298989/step Wall: 807.397, 0.00298989/step, 3.92589 hours remaining, 203.328125 MB of memory in use. ENERGY: 273000 747.2956 2087.1410 1935.8763 122.2988 -205542.9022 17392.7139 0.0000 0.0000 34315.4438 -148942.1327 299.6853 -183257.5765 -148847.7843 300.1622 -305.9793 -275.6362 558908.4388 -21.9361 -21.8481 PRESSURE: 273200 27.0038 -46.414 82.5565 -46.4137 351.98 129.609 82.5568 129.607 39.1197 GPRESSURE: 273200 45.3845 -135.277 48.0115 -27.1629 365.934 181.337 94.8855 107.555 93.7315 PRESSAVG: 273200 60.1774 -21.343 32.2846 -21.3429 -28.6207 22.4607 32.2846 22.4607 -69.9661 GPRESSAVG: 273200 60.6716 -23.7226 31.6883 -17.7048 -27.6113 20.4553 33.801 23.0396 -71.3702 TIMING: 273200 CPU: 807.988, 0.00295641/step Wall: 807.988, 0.00295641/step, 3.88177 hours remaining, 203.328125 MB of memory in use. ENERGY: 273200 750.2949 2134.0998 1966.6092 107.6435 -206473.9556 18041.5258 0.0000 0.0000 34270.8777 -149202.9047 299.2961 -183473.7824 -149115.9404 299.4354 139.3678 168.3499 556420.4284 -12.8031 -12.7700 PRESSURE: 273400 -47.6013 30.1429 50.4619 30.1434 -2.15197 -2.54701 50.4636 -2.54655 -177.143 GPRESSURE: 273400 -66.0706 28.4744 31.1043 3.40045 35.0503 21.3949 59.0938 -55.0187 -99.605 PRESSAVG: 273400 35.0731 -4.71546 4.05925 -4.71542 11.9099 -6.79647 4.0593 -6.79644 -52.413 GPRESSAVG: 273400 34.6781 -3.2859 4.00847 -7.04464 10.6856 -4.30161 3.83642 -8.87227 -50.3798 TIMING: 273400 CPU: 808.582, 0.00296925/step Wall: 808.582, 0.00296925/step, 3.89846 hours remaining, 203.328125 MB of memory in use. ENERGY: 273400 723.4260 2061.6999 1968.4651 122.4119 -206044.0233 17727.3565 0.0000 0.0000 34247.9757 -149192.6882 299.0961 -183440.6639 -149088.5211 299.1403 -75.6321 -43.5418 557447.9568 -1.8100 -1.6720 PRESSURE: 273600 12.6801 34.1698 70.3135 34.1678 -138.401 -25.5692 70.3132 -25.5677 76.9905 GPRESSURE: 273600 64.4105 13.8084 95.9256 36.9262 -112.362 -107.225 80.9871 31.2448 79.8542 PRESSAVG: 273600 60.334 15.1597 35.3282 15.1596 -48.2348 -59.2797 35.3281 -59.2797 6.28363 GPRESSAVG: 273600 60.5651 14.3279 33.1488 16.2624 -47.4195 -61.5909 38.1623 -56.0634 5.58213 TIMING: 273600 CPU: 809.169, 0.00293542/step Wall: 809.169, 0.00293542/step, 3.85388 hours remaining, 203.328125 MB of memory in use. ENERGY: 273600 715.3050 2142.5936 1969.5898 113.6777 -206383.4825 17865.3185 0.0000 0.0000 34242.1465 -149334.8515 299.0452 -183576.9980 -149241.3538 299.1248 -16.2435 10.6341 556507.7726 6.1276 6.2426 PRESSURE: 273800 -100.708 -225.464 -2.12375 -225.462 169.952 138.549 -2.12482 138.549 -122.982 GPRESSURE: 273800 -92.9061 -253.289 43.6362 -192.788 205.887 98.9372 -100.75 188.883 -80.8239 PRESSAVG: 273800 -56.1982 -59.6944 12.9007 -59.6944 -24.5131 -1.82355 12.9007 -1.82361 26.8506 GPRESSAVG: 273800 -55.3547 -59.0614 14.3808 -60.2837 -24.9739 -1.7357 11.8088 -4.71776 26.656 TIMING: 273800 CPU: 809.759, 0.00294705/step Wall: 809.759, 0.00294705/step, 3.86899 hours remaining, 203.328125 MB of memory in use. ENERGY: 273800 737.4350 2062.9011 1947.3165 106.5515 -205881.8254 17518.7869 0.0000 0.0000 34310.5721 -149198.2623 299.6428 -183508.8344 -149106.7379 299.4759 -17.9125 10.7191 556743.2264 -17.9536 -17.8909 PRESSURE: 274000 69.465 -54.0216 24.2922 -54.0215 160.643 60.2141 24.2923 60.2147 43.4965 GPRESSURE: 274000 94.2194 -32.4499 -12.14 -55.7489 242.384 21.0023 32.4053 77.5214 44.2885 PRESSAVG: 274000 7.03023 -20.8222 -48.4414 -20.8222 7.54456 36.6045 -48.4414 36.6045 -17.2478 GPRESSAVG: 274000 6.56074 -22.6951 -49.1747 -22.2936 7.3956 37.2757 -47.8153 36.9321 -16.3148 TIMING: 274000 CPU: 810.344, 0.0029272/step Wall: 810.344, 0.0029272/step, 3.84277 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: 274000 718.0465 2094.6092 1924.2077 123.1854 -206594.8423 18098.5724 0.0000 0.0000 34511.2158 -149125.0053 301.3950 -183636.2210 -149036.6174 299.3949 91.2015 126.9638 556759.2104 -0.8910 -0.7862 PRESSURE: 274200 66.3909 -61.314 -20.5745 -61.3144 -173.377 -36.5901 -20.5736 -36.5905 -249.154 GPRESSURE: 274200 61.5877 6.77695 -99.3654 -63.9648 -94.1212 -4.72453 112.43 -43.85 -217.861 PRESSAVG: 274200 -20.8538 13.4775 -12.474 13.4775 -5.37048 -23.0296 -12.474 -23.0296 31.7659 GPRESSAVG: 274200 -19.6171 15.5174 -11.6711 12.0302 -5.35831 -22.0605 -14.2935 -24.1851 30.7987 TIMING: 274200 CPU: 810.931, 0.00293658/step Wall: 810.931, 0.00293658/step, 3.85491 hours remaining, 203.328125 MB of memory in use. ENERGY: 274200 764.2679 2095.4810 1951.6252 107.7541 -205800.1789 17515.0439 0.0000 0.0000 34194.0644 -149171.9423 298.6253 -183366.0067 -149075.0896 299.2437 -118.7135 -83.4648 557626.2290 1.8472 1.9411 PRESSURE: 274400 -194.565 -118.818 77.1379 -118.818 -152.118 31.4924 77.1372 31.4935 -104.702 GPRESSURE: 274400 -187.597 -181.076 89.5758 -54.9747 -164.558 52.1832 72.7122 -59.2974 -0.876912 PRESSAVG: 274400 -19.6092 -4.12808 53.2094 -4.12812 -44.9778 -17.3528 53.2094 -17.3528 41.6357 GPRESSAVG: 274400 -20.444 -5.49943 52.3426 -1.81874 -44.7991 -16.9084 53.3621 -17.3643 42.5049 TIMING: 274400 CPU: 811.52, 0.00294347/step Wall: 811.52, 0.00294347/step, 3.86379 hours remaining, 203.328125 MB of memory in use. ENERGY: 274400 736.2171 2090.6077 1941.9265 112.1898 -205883.6167 17519.0962 0.0000 0.0000 34244.3748 -149239.2047 299.0646 -183483.5795 -149140.7793 299.2952 -150.4619 -117.6775 557298.5650 -7.6504 -7.5794 PRESSURE: 274600 -120.006 -152.762 92.1325 -152.762 -70.0631 9.14248 92.1315 9.14331 -70.6906 GPRESSURE: 274600 -39.4418 -109.511 88.9389 -192.722 -51.4018 37.1974 39.0666 15.431 -60.9523 PRESSAVG: 274600 -38.8948 4.32771 -5.01982 4.3277 54.9813 3.25588 -5.01997 3.25588 -27.8556 GPRESSAVG: 274600 -39.3031 4.38532 -4.21099 2.59538 55.0558 4.28935 -3.97079 4.62972 -27.8544 TIMING: 274600 CPU: 812.115, 0.00297422/step Wall: 812.115, 0.00297422/step, 3.904 hours remaining, 203.328125 MB of memory in use. ENERGY: 274600 721.0359 2065.6983 1962.2162 116.8054 -206213.2045 17777.5015 0.0000 0.0000 34115.7143 -149454.2328 297.9410 -183569.9471 -149366.1145 298.3460 -86.9199 -50.5986 557383.4185 -3.9230 -4.0339 PRESSURE: 274800 -118.493 -66.1727 -16.1785 -66.1714 -116.653 -118.462 -16.1775 -118.462 -317.896 GPRESSURE: 274800 -129.77 -8.54208 90.7191 -129.081 -41.5467 -72.3484 -52.6973 -164.285 -292.366 PRESSAVG: 274800 -10.7926 -17.8866 -3.88094 -17.8865 -13.3842 39.5649 -3.88096 39.5648 -11.1142 GPRESSAVG: 274800 -10.624 -18.189 -1.80272 -15.4065 -14.1572 39.5431 -5.3336 37.2829 -10.9002 TIMING: 274800 CPU: 812.7, 0.00292522/step Wall: 812.7, 0.00292522/step, 3.83951 hours remaining, 203.328125 MB of memory in use. ENERGY: 274800 717.4244 2114.5994 1978.9851 129.3133 -206050.7414 17504.6360 0.0000 0.0000 34230.0040 -149375.7792 298.9391 -183605.7832 -149282.9022 298.9045 -184.3475 -154.5609 558810.6675 -11.7637 -11.8938 PRESSURE: 275000 -130.214 122.748 -130.125 122.747 359.341 -37.7845 -130.124 -37.784 -25.5997 GPRESSURE: 275000 -67.0402 51.8499 -73.1709 62.2921 358.878 5.52243 -100.43 36.0461 6.78946 PRESSAVG: 275000 63.3676 10.3286 16.5132 10.3285 -13.6371 -22.8411 16.5131 -22.8411 -36.9904 GPRESSAVG: 275000 63.5409 9.53414 14.8513 9.96629 -13.7805 -23.8384 17.2502 -20.3296 -37.0811 TIMING: 275000 CPU: 813.286, 0.00293046/step Wall: 813.286, 0.00293046/step, 3.84622 hours remaining, 203.328125 MB of memory in use. ENERGY: 275000 741.9902 2076.2998 1947.9775 106.1714 -206531.2095 17997.9275 0.0000 0.0000 34245.4150 -149415.4279 299.0737 -183660.8429 -149316.8874 298.8881 67.8425 99.5425 555610.1314 4.2467 4.2264 PRESSURE: 275200 51.2741 -136.223 -45.9712 -136.223 6.70369 47.1114 -45.9716 47.1117 -14.0086 GPRESSURE: 275200 85.7777 -136.394 -4.4912 -79.0515 92.8878 -40.8282 -80.5987 -14.3284 -27.5365 PRESSAVG: 275200 54.2382 -7.02639 -35.5103 -7.02635 14.0768 16.1696 -35.5104 16.1695 -22.3959 GPRESSAVG: 275200 53.8445 -7.30842 -37.188 -6.6834 14.6078 15.6065 -33.8004 14.8532 -22.7233 TIMING: 275200 CPU: 813.879, 0.00296461/step Wall: 813.879, 0.00296461/step, 3.89089 hours remaining, 203.382812 MB of memory in use. ENERGY: 275200 754.6161 2109.9172 1941.6422 113.0003 -206514.3084 17917.5050 0.0000 0.0000 34213.8835 -149463.7440 298.7984 -183677.6275 -149366.8004 298.3139 14.6564 50.3763 555896.0924 15.3064 15.2430 PRESSURE: 275400 -99.7296 83.7138 -69.4996 83.7127 -148.335 -99.6089 -69.5018 -99.6097 -55.4656 GPRESSURE: 275400 -66.3358 116.359 -50.6543 100.607 -135.557 -88.03 -44.2285 -168.125 -12.6014 PRESSAVG: 275400 5.41766 -2.73579 13.5317 -2.73582 -7.12954 -2.49685 13.5317 -2.49681 -5.21551 GPRESSAVG: 275400 5.02639 -1.2015 15.2525 -3.815 -7.14144 -2.6238 12.509 -0.470182 -4.89745 TIMING: 275400 CPU: 814.469, 0.00295288/step Wall: 814.469, 0.00295288/step, 3.87532 hours remaining, 203.382812 MB of memory in use. ENERGY: 275400 704.5135 2079.6046 1961.0306 100.0810 -206184.8410 17649.3865 0.0000 0.0000 34192.5845 -149497.6403 298.6123 -183690.2247 -149398.8572 298.8904 -101.1768 -71.4981 558020.5194 -2.3091 -2.3375 PRESSURE: 275600 67.9854 -74.4777 -110.569 -74.4775 174.345 -84.1694 -110.569 -84.1681 45.3058 GPRESSURE: 275600 166.147 -106.75 -75.0825 -36.9358 177.525 -94.965 -50.718 -1.72513 45.0494 PRESSAVG: 275600 -15.9637 7.72411 5.14031 7.72403 -15.9636 -5.30362 5.14026 -5.3036 -1.2319 GPRESSAVG: 275600 -15.4691 6.99324 4.47974 8.06751 -15.9631 -2.91002 5.04864 -5.96732 -1.88029 TIMING: 275600 CPU: 815.058, 0.00294311/step Wall: 815.058, 0.00294311/step, 3.86234 hours remaining, 203.382812 MB of memory in use. ENERGY: 275600 737.1565 2000.8523 1955.5535 112.1852 -206393.2901 18033.2977 0.0000 0.0000 34300.5607 -149253.6841 299.5553 -183554.2448 -149159.4558 299.6311 95.8788 129.5740 558212.5841 -11.0531 -11.1042 PRESSURE: 275800 89.6766 87.5411 62.6228 87.5393 49.6752 -113.257 62.623 -113.258 124.726 GPRESSURE: 275800 197.202 168.569 9.26343 36.6344 37.3891 -23.2537 51.243 -126.249 123.021 PRESSAVG: 275800 19.0232 33.6877 -9.11521 33.6877 -17.2348 -12.333 -9.11525 -12.3329 13.4971 GPRESSAVG: 275800 19.4845 37.1871 -9.79422 30.9493 -16.9832 -13.6866 -7.37595 -12.5793 12.8068 TIMING: 275800 CPU: 815.645, 0.00293575/step Wall: 815.645, 0.00293575/step, 3.85251 hours remaining, 203.382812 MB of memory in use. ENERGY: 275800 750.4777 2051.4002 1959.8984 114.6294 -206513.7179 18022.4800 0.0000 0.0000 34340.1583 -149274.6739 299.9011 -183614.8322 -149183.8565 298.7031 88.0260 119.2041 557129.9425 5.0951 5.1027 PRESSURE: 276000 -291.616 102.481 -142.849 102.481 190.068 71.2685 -142.85 71.2696 94.8201 GPRESSURE: 276000 -194.919 0.355597 -87.9746 201.711 132.858 52.9117 -126.743 79.7578 141.766 PRESSAVG: 276000 -56.7684 -2.83296 8.47987 -2.83296 64.5152 -10.6586 8.47989 -10.6587 27.0657 GPRESSAVG: 276000 -57.3971 -6.12703 10.952 -0.35863 64.8841 -10.5658 7.60172 -11.8222 27.0682 TIMING: 276000 CPU: 816.232, 0.00293579/step Wall: 816.232, 0.00293579/step, 3.85241 hours remaining, 203.382812 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: 276000 700.2335 2089.4432 1934.3830 120.2733 -206366.3309 17737.5817 0.0000 0.0000 34241.0485 -149543.3679 299.0356 -183784.4164 -149447.1514 298.7744 -2.2425 26.5684 558632.9596 11.6042 11.5184 PRESSURE: 276200 289.679 88.8973 -7.59633 88.8959 51.6949 -47.5253 -7.5957 -47.5249 -201.992 GPRESSURE: 276200 300.586 56.8205 -41.2523 87.2993 62.786 -97.4698 -73.2224 -53.0026 -123.442 PRESSAVG: 276200 -32.0252 2.74015 -20.0254 2.74002 -21.0999 -10.4379 -20.0254 -10.4378 27.127 GPRESSAVG: 276200 -31.7627 2.62976 -22.9648 2.78409 -21.0919 -10.5049 -19.453 -9.37501 26.6047 TIMING: 276200 CPU: 816.817, 0.00292526/step Wall: 816.817, 0.00292526/step, 3.83842 hours remaining, 203.625000 MB of memory in use. ENERGY: 276200 735.7506 2010.4293 1964.9933 114.5733 -206422.4691 17963.5497 0.0000 0.0000 34197.4456 -149435.7273 298.6548 -183633.1729 -149338.5839 298.5912 46.4606 79.9767 556756.2452 -8.6660 -8.7500 LDB: ============= START OF LOAD BALANCING ============== 820.243 LDB: ============== END OF LOAD BALANCING =============== 820.243 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 820.245 LDB: ============= START OF LOAD BALANCING ============== 820.539 LDB: Largest compute 4848 load 0.029099 is 24.7% of average load 0.117800 LDB: Average compute 0.001735 is 1.5% of average load 0.117800 LDB: TIME 820.542 LOAD: AVG 0.1178 MAX 0.197956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.164 MB LDB: TIME 820.543 LOAD: AVG 0.1178 MAX 0.197956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: TIME 820.543 LOAD: AVG 0.1178 MAX 0.197956 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 820.545 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 820.549 PRESSURE: 276400 18.7569 -109.705 -4.46629 -109.706 46.8032 -121.123 -4.46636 -121.124 72.6504 GPRESSURE: 276400 55.3198 -116.931 44.7322 -79.6203 73.9222 -78.4833 -64.4037 -124.744 111.97 PRESSAVG: 276400 61.7647 -24.4152 16.2346 -24.4152 -42.2332 -30.8232 16.2345 -30.8232 -1.05673 GPRESSAVG: 276400 61.0855 -26.9769 17.8449 -21.7373 -42.2425 -28.4602 14.2181 -32.7137 -0.233914 TIMING: 276400 CPU: 817.419, 0.00300893/step Wall: 817.419, 0.00300893/step, 3.94805 hours remaining, 202.617188 MB of memory in use. ENERGY: 276400 713.9445 2066.8919 1954.2719 109.0630 -205977.8400 17702.5285 0.0000 0.0000 34134.9378 -149296.2024 298.1089 -183431.1402 -149203.1568 298.9819 46.0702 80.4041 555918.1808 6.1583 6.2030 PRESSURE: 276600 -454.691 -65.0939 -155.915 -65.0939 -193.653 -36.2005 -155.914 -36.2003 146.3 GPRESSURE: 276600 -404.911 -58.4766 -70.1193 -78.1596 -124.324 16.7594 -119.933 -10.5212 136.565 PRESSAVG: 276600 -11.9085 3.23991 59.1765 3.23993 -40.9752 -38.9664 59.1764 -38.9665 63.1821 GPRESSAVG: 276600 -11.5645 6.01549 58.1394 1.40909 -41.224 -40.995 62.0406 -37.4552 63.0333 TIMING: 276600 CPU: 818.008, 0.00294329/step Wall: 818.008, 0.00294329/step, 3.86177 hours remaining, 202.820312 MB of memory in use. ENERGY: 276600 731.9959 2020.7481 1962.2462 115.3183 -205762.4229 17496.8872 0.0000 0.0000 34178.4523 -149256.7750 298.4889 -183435.2272 -149154.0964 298.9417 -167.3483 -130.8898 556883.3523 3.4328 3.4150 PRESSURE: 276800 -45.8886 48.7043 63.0986 48.7032 275.466 -26.7608 63.0996 -26.761 118.822 GPRESSURE: 276800 -59.0533 19.9433 41.6973 59.8636 237.552 7.89742 113.221 -9.0501 246.347 PRESSAVG: 276800 -39.3326 -6.38953 14.0255 -6.38957 39.6521 32.3608 14.0255 32.3607 15.0973 GPRESSAVG: 276800 -38.4071 -3.90592 15.9088 -6.91841 38.1645 33.7917 11.3681 31.5249 15.5235 TIMING: 276800 CPU: 818.592, 0.0029206/step Wall: 818.592, 0.00292061/step, 3.83183 hours remaining, 202.820312 MB of memory in use. ENERGY: 276800 701.7660 2054.7494 1933.9236 119.4668 -206123.8462 17612.0609 0.0000 0.0000 34378.3002 -149323.5793 300.2342 -183701.8796 -149229.6003 299.2044 116.1332 141.6152 555980.5948 5.1389 5.0936 PRESSURE: 277000 -77.8624 76.6882 76.2148 76.6878 76.5529 -55.6262 76.2155 -55.6241 115.595 GPRESSURE: 277000 -62.8655 119.927 111.333 94.4075 153.83 -102.737 97.1463 1.00558 126.83 PRESSAVG: 277000 -33.6152 34.1676 26.8655 34.1676 110.11 24.6297 26.8655 24.6299 -44.2175 GPRESSAVG: 277000 -34.7691 32.1157 25.2641 32.9666 110.689 22.4891 27.9249 24.9437 -43.9055 TIMING: 277000 CPU: 819.178, 0.00293062/step Wall: 819.178, 0.00293062/step, 3.84482 hours remaining, 202.820312 MB of memory in use. ENERGY: 277000 725.7042 2051.4086 1948.5236 123.7864 -205801.4790 17658.5116 0.0000 0.0000 34109.8266 -149183.7179 297.8896 -183293.5445 -149079.5164 298.5226 38.0950 72.5981 555749.1574 10.7591 10.6715 PRESSURE: 277200 360.172 28.6867 62.5281 28.6859 -58.1263 -166.998 62.5284 -166.999 198.359 GPRESSURE: 277200 348.353 88.8734 106.365 42.9317 -14.1745 -196.064 -16.5802 -159.348 249.476 PRESSAVG: 277200 -1.62728 30.8788 48.3533 30.8788 -13.9084 20.4036 48.3534 20.4037 -17.4446 GPRESSAVG: 277200 -0.24541 33.0217 48.9365 30.4498 -14.9719 21.2901 48.1053 20.0835 -18.1829 TIMING: 277200 CPU: 819.763, 0.00292412/step Wall: 819.763, 0.00292412/step, 3.83612 hours remaining, 202.820312 MB of memory in use. ENERGY: 277200 722.5307 2089.7847 1913.9830 111.4365 -206133.0043 17869.5896 0.0000 0.0000 34338.9562 -149086.7237 299.8906 -183425.6799 -148991.0383 299.3293 166.8015 194.5514 556207.0147 -10.9935 -11.1334 PRESSURE: 277400 -40.3466 74.7236 100.716 74.7243 -198.857 133.65 100.715 133.65 41.8195 GPRESSURE: 277400 35.7305 -59.0408 131.332 135.296 -196.113 55.2034 72.3821 123.749 55.9643 PRESSAVG: 277400 47.8188 4.9419 23.3368 4.94194 -11.6299 -35.4653 23.3368 -35.4652 -11.1909 GPRESSAVG: 277400 46.9104 2.65878 22.7424 6.15157 -10.5932 -36.1237 23.7415 -34.3992 -10.9674 TIMING: 277400 CPU: 820.351, 0.00293971/step Wall: 820.351, 0.00293971/step, 3.85642 hours remaining, 202.820312 MB of memory in use. ENERGY: 277400 753.5902 2149.6679 1949.5943 109.8276 -206055.5769 17784.8570 0.0000 0.0000 34092.5283 -149215.5117 297.7385 -183308.0400 -149117.9434 299.2755 -65.7947 -34.8061 557454.8911 8.3327 8.4499 PRESSURE: 277600 -98.3759 -29.0061 -53.8239 -29.0058 -47.7235 -43.5632 -53.823 -43.5653 -105.01 GPRESSURE: 277600 -111.893 -20.2146 -13.875 49.9154 1.90265 -152.374 -60.8651 -30.8846 -31.5446 PRESSAVG: 277600 39.908 36.7597 42.7827 36.7597 -12.0208 -31.1259 42.7827 -31.126 -15.7532 GPRESSAVG: 277600 40.3406 35.7915 44.6145 37.8864 -12.3258 -30.0328 41.5286 -31.2172 -15.8556 TIMING: 277600 CPU: 820.938, 0.00293749/step Wall: 820.938, 0.00293749/step, 3.85333 hours remaining, 202.820312 MB of memory in use. ENERGY: 277600 753.0474 2032.5669 1936.3571 110.8316 -206328.1024 17701.6910 0.0000 0.0000 34367.5081 -149426.1004 300.1400 -183793.6085 -149333.3692 298.4861 -83.7031 -47.1783 556516.8137 4.0447 4.0531 PRESSURE: 277800 -238.034 -40.8123 53.0661 -40.8123 262.627 -84.817 53.0661 -84.8168 -2.83501 GPRESSURE: 277800 -241.225 -21.4427 63.614 -20.3167 355.719 -78.656 128.597 -110.764 14.1059 PRESSAVG: 277800 -98.9855 -42.4072 -3.34457 -42.4073 113.001 33.0215 -3.34457 33.0216 -17.8361 GPRESSAVG: 277800 -100.134 -42.305 -6.0607 -42.5525 113.374 36.3158 -3.33435 31.1589 -17.7994 TIMING: 277800 CPU: 821.53, 0.00295826/step Wall: 821.53, 0.00295826/step, 3.88042 hours remaining, 202.820312 MB of memory in use. ENERGY: 277800 751.1986 2110.0884 1944.7618 108.7761 -206525.2517 18127.7235 0.0000 0.0000 34056.5610 -149426.1422 297.4244 -183482.7032 -149321.8764 298.5151 7.2526 42.8664 557775.4148 -1.2737 -1.5196 PRESSURE: 278000 -26.5905 131.022 95.819 131.021 -135.927 -14.2751 95.819 -14.2746 -112.485 GPRESSURE: 278000 12.212 131.453 130.718 198.227 -125.708 -46.9138 138.409 7.24756 -64.7584 PRESSAVG: 278000 -0.569757 -15.0693 21.1523 -15.0693 84.4131 -13.7831 21.1523 -13.7831 -74.4677 GPRESSAVG: 278000 -0.536257 -13.161 21.8777 -17.1264 84.3416 -17.2171 19.9065 -10.9504 -74.6517 TIMING: 278000 CPU: 822.119, 0.00294679/step Wall: 822.119, 0.00294679/step, 3.86521 hours remaining, 202.820312 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: 278000 757.4491 2102.9555 1953.0646 120.9370 -206293.5405 17773.6143 0.0000 0.0000 34250.2722 -149335.2477 299.1161 -183585.5199 -149239.4293 298.8916 -91.6675 -59.4182 557061.2665 3.1252 3.0512 PRESSURE: 278200 254.84 -87.5083 -69.6953 -87.5095 -64.0843 37.8829 -69.6955 37.8849 18.3893 GPRESSURE: 278200 279.261 -11.7309 -117.902 -126.779 -54.9113 39.476 -72.8294 47.4697 75.9853 PRESSAVG: 278200 63.4738 -16.1149 2.44037 -16.1149 13.6588 -31.4977 2.44049 -31.4976 -79.473 GPRESSAVG: 278200 63.7149 -17.1536 3.65264 -15.1439 13.4095 -29.7282 4.0768 -32.7899 -79.6746 TIMING: 278200 CPU: 822.711, 0.00295796/step Wall: 822.711, 0.00295796/step, 3.87969 hours remaining, 202.820312 MB of memory in use. ENERGY: 278200 734.8521 2067.3196 1994.2618 124.0866 -206189.0904 17708.5762 0.0000 0.0000 34256.8534 -149303.1407 299.1736 -183559.9941 -149210.5858 299.1232 69.7150 100.1116 556205.2453 -0.7801 -0.8500 PRESSURE: 278400 100.273 97.7827 -120.293 97.7829 -335.947 32.7119 -120.292 32.7106 -189.213 GPRESSURE: 278400 128.284 157.161 -217.363 63.3954 -313.674 64.2077 -100.309 11.1221 -146.612 PRESSAVG: 278400 29.3447 16.4279 -24.6717 16.4279 -13.4892 -1.85525 -24.6716 -1.85524 6.55486 GPRESSAVG: 278400 29.2501 15.9701 -24.8389 16.9579 -14.2536 -0.941211 -24.9136 -2.64144 7.29671 TIMING: 278400 CPU: 823.302, 0.00295514/step Wall: 823.302, 0.00295514/step, 3.87583 hours remaining, 202.820312 MB of memory in use. ENERGY: 278400 752.1938 2084.7684 1937.7378 117.9132 -206166.9229 17617.0879 0.0000 0.0000 34444.4712 -149212.7506 300.8121 -183657.2218 -149114.0807 299.1076 -141.6287 -110.6676 557232.2066 7.4701 7.4310 PRESSURE: 278600 136.568 114.903 12.9202 114.902 -109.095 133.368 12.9206 133.365 -59.7166 GPRESSURE: 278600 134.794 185.302 -67.1785 158.698 -75.7543 99.9909 121.725 96.7992 10.7968 PRESSAVG: 278600 57.5128 96.2821 -41.7552 96.2821 31.8355 13.2162 -41.7552 13.2163 -82.0469 GPRESSAVG: 278600 55.9075 97.5031 -43.284 93.2217 31.7648 11.3405 -42.3041 14.7204 -80.8661 TIMING: 278600 CPU: 823.893, 0.00295371/step Wall: 823.893, 0.00295371/step, 3.87379 hours remaining, 202.820312 MB of memory in use. ENERGY: 278600 773.6939 2112.3860 1981.5081 104.0443 -206026.3774 17614.5114 0.0000 0.0000 34414.0052 -149026.2286 300.5461 -183440.2337 -148922.4973 299.4487 -10.7478 23.2789 556020.9614 2.4338 2.2687 PRESSURE: 278800 -122.482 55.1708 10.2971 55.1698 154.012 7.18554 10.2977 7.18452 119.847 GPRESSURE: 278800 -71.5282 -32.213 -94.1647 57.9168 267.272 72.4726 5.35316 -58.6348 49.5677 PRESSAVG: 278800 34.6332 13.3121 -42.9246 13.3122 66.6629 -33.2134 -42.9246 -33.2134 -99.9068 GPRESSAVG: 278800 35.4289 11.9055 -42.3831 15.5961 67.689 -33.3243 -45.5553 -33.5345 -101.282 TIMING: 278800 CPU: 824.483, 0.00295058/step Wall: 824.483, 0.00295058/step, 3.86952 hours remaining, 202.820312 MB of memory in use. ENERGY: 278800 750.2534 2112.6878 1942.5934 98.7131 -206379.3836 17834.7740 0.0000 0.0000 34377.4378 -149262.9240 300.2267 -183640.3618 -149160.3782 300.1546 50.4586 81.7704 556990.6136 0.4631 0.6121 PRESSURE: 279000 -34.6299 -63.2276 -52.8456 -63.2272 -90.6346 249.11 -52.8452 249.11 -75.4946 GPRESSURE: 279000 55.789 -14.1568 -3.17852 -118.19 -118.128 280.367 -34.9168 88.1072 -40.3654 PRESSAVG: 279000 92.5012 -1.30434 -58.0921 -1.30438 -18.3093 10.6221 -58.0921 10.622 -39.2296 GPRESSAVG: 279000 93.9682 -2.13979 -57.2413 -2.06166 -20.3708 11.8984 -56.9898 8.31807 -38.9671 TIMING: 279000 CPU: 825.075, 0.00296088/step Wall: 825.075, 0.00296088/step, 3.88287 hours remaining, 203.023438 MB of memory in use. ENERGY: 279000 737.7266 2128.4928 1916.8124 106.1068 -206176.8999 17735.6699 0.0000 0.0000 34382.1563 -149169.9351 300.2679 -183552.0914 -149083.1530 299.7090 -66.9197 -34.2348 556654.0525 11.6541 11.5434 PRESSURE: 279200 100.041 -112.007 -71.7067 -112.006 -251.262 -193.046 -71.7061 -193.047 -190.381 GPRESSURE: 279200 166.837 -118.782 -96.5424 -116.316 -237.875 -179.191 -19.4375 -143.524 -182.908 PRESSAVG: 279200 54.2794 16.6631 -21.4232 16.6631 -42.8786 -34.1343 -21.4232 -34.1343 -24.2087 GPRESSAVG: 279200 51.6933 17.1393 -21.5967 16.0299 -41.7048 -36.3214 -19.5031 -30.5293 -22.8368 TIMING: 279200 CPU: 825.672, 0.00298286/step Wall: 825.672, 0.00298286/step, 3.91153 hours remaining, 203.023438 MB of memory in use. ENERGY: 279200 742.9531 2125.7801 1918.1784 106.0497 -206022.4501 17482.5768 0.0000 0.0000 34398.5781 -149248.3338 300.4113 -183646.9119 -149152.8036 299.9415 -113.8673 -84.6488 556824.0730 -4.2693 -4.2828 PRESSURE: 279400 -142.854 -16.5136 25.6067 -16.5117 -346.09 141.107 25.6074 141.107 107.479 GPRESSURE: 279400 -139.82 1.61851 -1.23444 -75.4825 -271.492 68.6077 -12.8307 207.753 130.69 PRESSAVG: 279400 0.499533 -55.9827 -19.6199 -55.9827 -29.0273 3.7756 -19.6198 3.77566 40.5975 GPRESSAVG: 279400 2.71504 -54.3406 -21.9222 -57.7678 -29.1991 4.98704 -18.8169 2.78807 38.9213 TIMING: 279400 CPU: 826.261, 0.00294674/step Wall: 826.261, 0.00294674/step, 3.864 hours remaining, 203.023438 MB of memory in use. ENERGY: 279400 762.9385 2070.5901 1976.1007 128.1086 -205989.8243 17605.8721 0.0000 0.0000 34150.2250 -149295.9893 298.2424 -183446.2143 -149206.4967 299.4043 -127.1552 -93.5408 557468.0630 4.0232 4.1458 PRESSURE: 279600 -72.2217 124.118 23.6573 124.117 -203.079 -161.328 23.6569 -161.329 -159.809 GPRESSURE: 279600 -112.019 84.3172 14.1165 110.049 -163.542 -155.056 96.5603 -83.3029 -63.6074 PRESSAVG: 279600 -27.7871 -15.4294 20.5194 -15.4294 14.2156 -24.0083 20.5195 -24.0084 -7.43354 GPRESSAVG: 279600 -28.891 -16.7305 20.1159 -12.6134 15.0987 -23.9997 21.6649 -25.7388 -7.51711 TIMING: 279600 CPU: 826.853, 0.00296187/step Wall: 826.853, 0.00296187/step, 3.88367 hours remaining, 203.023438 MB of memory in use. ENERGY: 279600 730.3487 2114.2016 1964.4234 114.6168 -206010.1963 17603.2629 0.0000 0.0000 34053.9368 -149429.4061 297.4015 -183483.3429 -149334.3269 298.4182 -145.0364 -113.0563 557565.1667 -7.0017 -7.1031 PRESSURE: 279800 7.66139 -116.55 49.5228 -116.552 -30.8215 -17.1663 49.5244 -17.167 -79.4464 GPRESSURE: 279800 75.9817 -119.681 51.7094 16.5154 -17.6137 -63.4959 14.8354 -34.6298 -58.1551 PRESSAVG: 279800 -0.517091 -17.9416 67.2784 -17.9415 44.6679 -18.927 67.2784 -18.927 -16.285 GPRESSAVG: 279800 -0.103618 -17.4886 68.9291 -18.6396 43.4099 -20.0754 65.4719 -17.0081 -14.7224 TIMING: 279800 CPU: 827.448, 0.00297414/step Wall: 827.448, 0.00297414/step, 3.89959 hours remaining, 203.023438 MB of memory in use. ENERGY: 279800 777.6561 2076.6784 1963.0316 97.0101 -206529.6933 17804.8953 0.0000 0.0000 34314.8438 -149495.5780 299.6801 -183810.4218 -149404.5862 299.2714 -34.2022 0.0710 557884.8717 9.2886 9.5280 PRESSURE: 280000 -377.364 99.964 89.2794 99.9642 30.9245 15.7702 89.2802 15.7719 -120.788 GPRESSURE: 280000 -368.72 94.791 39.2212 118.738 44.7762 -37.171 92.247 42.8181 -56.2548 PRESSAVG: 280000 6.78257 -37.5903 6.77623 -37.5904 -83.453 23.7841 6.7762 23.7842 25.0954 GPRESSAVG: 280000 5.7197 -36.8971 6.21641 -38.5641 -82.2935 23.9142 8.39027 23.7331 25.1247 TIMING: 280000 CPU: 828.041, 0.0029626/step Wall: 828.041, 0.0029626/step, 3.88429 hours remaining, 203.023438 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: 280000 768.6791 2149.3400 1956.2603 112.5072 -205997.7571 17586.1155 0.0000 0.0000 34141.2892 -149283.5658 298.1644 -183424.8550 -149189.0452 299.0954 -155.7426 -126.7328 559166.9436 -17.1917 -17.1497 PRESSURE: 280200 136.54 -41.0935 221.544 -41.0933 -184.383 8.93192 221.545 8.93069 -248.57 GPRESSURE: 280200 176.038 -87.1755 179.492 -29.935 -148.082 38.0254 255.199 47.2059 -258.226 PRESSAVG: 280200 -22.2699 50.1567 61.948 50.1567 52.8388 -8.92555 61.948 -8.92553 -14.6999 GPRESSAVG: 280200 -21.9086 48.4877 63.4273 51.2156 52.6191 -7.82196 59.2793 -10.1183 -15.6326 TIMING: 280200 CPU: 828.631, 0.00295118/step Wall: 828.631, 0.00295118/step, 3.86917 hours remaining, 203.023438 MB of memory in use. ENERGY: 280200 753.2337 2134.9444 1959.4608 104.8412 -206363.2668 17837.6289 0.0000 0.0000 34342.3195 -149230.8382 299.9200 -183573.1577 -149138.6796 299.5209 -98.8043 -76.7564 558169.8754 5.2897 5.0260 LDB: ============= START OF LOAD BALANCING ============== 832.056 LDB: ============== END OF LOAD BALANCING =============== 832.056 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 832.057 LDB: ============= START OF LOAD BALANCING ============== 832.353 LDB: Largest compute 4848 load 0.029177 is 24.8% of average load 0.117805 LDB: Average compute 0.001731 is 1.5% of average load 0.117805 LDB: TIME 832.356 LOAD: AVG 0.117805 MAX 0.198531 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.93 MB LDB: TIME 832.356 LOAD: AVG 0.117805 MAX 0.198531 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.129 MB LDB: TIME 832.356 LOAD: AVG 0.117805 MAX 0.198531 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.129 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 832.358 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 832.362 PRESSURE: 280400 -26.8391 200.559 19.0598 200.559 -61.7348 -12.5591 19.0594 -12.5599 66.6481 GPRESSURE: 280400 19.7497 314.456 7.32284 87.5123 -36.3704 54.2859 -10.6846 3.67827 90.6048 PRESSAVG: 280400 37.0141 -4.9178 26.9136 -4.91783 11.5144 -21.8452 26.9137 -21.8453 -24.3777 GPRESSAVG: 280400 37.696 -4.01599 26.5689 -5.39289 11.3974 -21.651 25.1582 -21.1102 -24.6312 TIMING: 280400 CPU: 829.232, 0.00300685/step Wall: 829.232, 0.00300685/step, 3.94199 hours remaining, 204.097656 MB of memory in use. ENERGY: 280400 770.1986 2117.5608 1929.8969 99.6437 -206554.8289 18017.5873 0.0000 0.0000 34275.9655 -149343.9761 299.3405 -183619.9416 -149253.6450 299.3276 -7.3086 24.6614 556652.5887 8.0503 8.1540 PRESSURE: 280600 194.897 -56.5263 -96.1804 -56.5246 35.3955 -139.027 -96.1802 -139.025 69.4638 GPRESSURE: 280600 266.492 92.6552 -233.34 -33.8867 81.445 -133.85 -59.5492 -114.413 41.2453 PRESSAVG: 280600 -9.95199 8.49041 42.6659 8.49046 -2.75188 2.51704 42.666 2.51712 35.4222 GPRESSAVG: 280600 -10.3003 9.60569 41.5271 7.62983 -3.54691 2.12717 44.7061 5.57137 36.5363 TIMING: 280600 CPU: 829.823, 0.00295429/step Wall: 829.823, 0.00295429/step, 3.87291 hours remaining, 204.097656 MB of memory in use. ENERGY: 280600 755.9542 2126.3477 1940.7393 119.0967 -206905.8406 18066.8047 0.0000 0.0000 34431.2572 -149465.6408 300.6967 -183896.8980 -149363.4304 299.2715 99.9189 129.7276 556437.3669 7.5728 7.5630 PRESSURE: 280800 -6.65427 79.7442 59.5346 79.7446 119.525 13.9326 59.5347 13.9325 -12.9591 GPRESSURE: 280800 12.6672 149.361 100.55 -5.78672 152.519 -55.9825 -14.2766 65.6714 30.6127 PRESSAVG: 280800 6.27181 36.5901 -6.66129 36.5899 17.3342 -22.9153 -6.66124 -22.9153 -10.1586 GPRESSAVG: 280800 7.94729 33.278 -5.67018 38.0865 16.4272 -23.1628 -6.47996 -26.2207 -9.81318 TIMING: 280800 CPU: 830.41, 0.00293378/step Wall: 830.41, 0.00293378/step, 3.84586 hours remaining, 204.097656 MB of memory in use. ENERGY: 280800 746.5033 2115.5753 1930.3806 94.3703 -206376.0444 17835.3833 0.0000 0.0000 34243.7850 -149410.0467 299.0595 -183653.8317 -149312.0395 299.0831 33.3037 65.2662 558076.4518 4.4825 4.8538 PRESSURE: 281000 179.95 62.109 -89.4129 62.1091 19.4823 -30.6236 -89.4124 -30.6243 196.601 GPRESSURE: 281000 198.864 21.8229 -115.569 -40.5313 65.1465 4.79535 -43.2938 1.0155 225.234 PRESSAVG: 281000 43.6218 67.1809 -24.0576 67.1809 -2.29864 7.55798 -24.0577 7.55803 5.20915 GPRESSAVG: 281000 42.6969 70.1891 -21.5751 65.4918 -0.979122 7.4072 -26.8601 6.41944 4.44905 TIMING: 281000 CPU: 830.998, 0.0029423/step Wall: 830.998, 0.0029423/step, 3.85686 hours remaining, 204.097656 MB of memory in use. ENERGY: 281000 747.9332 2118.7406 1942.7000 110.2692 -206595.4846 18124.2973 0.0000 0.0000 34446.9735 -149104.5709 300.8340 -183551.5444 -149013.3602 299.4385 132.0109 163.0817 556683.3735 15.5108 15.3889 PRESSURE: 281200 119.471 76.8935 -14.0351 76.8936 155.277 -64.3123 -14.0355 -64.3129 122.171 GPRESSURE: 281200 112.017 55.904 -29.5088 31.7156 170.397 -80.2337 29.516 -53.709 216.873 PRESSAVG: 281200 -0.796023 30.3903 -36.2483 30.3903 52.8542 -3.98499 -36.2482 -3.98513 -70.669 GPRESSAVG: 281200 -0.796955 28.9311 -36.626 30.4876 53.9924 -5.11132 -34.4137 -2.35208 -71.7507 TIMING: 281200 CPU: 831.592, 0.00296769/step Wall: 831.592, 0.00296769/step, 3.88999 hours remaining, 204.097656 MB of memory in use. ENERGY: 281200 764.8856 2099.0629 1922.3171 94.3569 -206287.8393 18007.8417 0.0000 0.0000 34323.7704 -149075.6048 299.7580 -183399.3751 -148981.6793 299.6484 132.3063 166.4288 557734.1193 -6.2036 -6.1851 PRESSURE: 281400 -126.604 -32.9647 -22.8884 -32.9651 -1.9621 -192.756 -22.8906 -192.756 -132.481 GPRESSURE: 281400 -174.384 5.78896 -31.5479 -17.4141 76.1455 -176.051 41.0374 -162.012 -63.369 PRESSAVG: 281400 -26.3333 -38.2628 -24.2082 -38.2629 64.8248 2.84815 -24.2082 2.84812 -6.98036 GPRESSAVG: 281400 -27.1417 -37.0946 -26.6303 -37.2547 64.78 2.36302 -23.6812 2.20975 -6.06757 TIMING: 281400 CPU: 832.184, 0.00296065/step Wall: 832.184, 0.00296065/step, 3.88059 hours remaining, 204.097656 MB of memory in use. ENERGY: 281400 725.9491 2108.3059 1939.4456 112.9049 -205837.4241 17642.8201 0.0000 0.0000 34232.3610 -149075.6375 298.9597 -183307.9985 -148980.2976 299.4330 -87.0160 -53.8693 557696.6326 10.5037 10.5236 PRESSURE: 281600 32.1747 -54.6886 45.6108 -54.6875 105.559 75.0487 45.6105 75.0492 255.075 GPRESSURE: 281600 71.5422 -47.5673 -28.6535 -58.4542 77.5042 49.8007 87.6041 136.354 348.776 PRESSAVG: 281600 -31.3563 -22.3794 -41.87 -22.3794 -31.5828 -13.0497 -41.87 -13.0497 58.4196 GPRESSAVG: 281600 -30.0051 -24.1433 -42.4102 -23.9087 -31.7021 -12.6974 -39.6988 -12.3507 56.7689 TIMING: 281600 CPU: 832.779, 0.00297512/step Wall: 832.779, 0.00297512/step, 3.89939 hours remaining, 204.097656 MB of memory in use. ENERGY: 281600 693.0409 2061.5406 1919.5816 121.7059 -206139.9153 17991.2603 0.0000 0.0000 34284.5529 -149068.2331 299.4155 -183352.7860 -148974.7122 299.7027 130.9359 165.9407 557334.7062 -1.5065 -1.6461 PRESSURE: 281800 -104.733 52.8289 98.5989 52.8289 -282.105 23.7393 98.5992 23.7377 -206.93 GPRESSURE: 281800 -81.362 109.516 46.2576 -15.6106 -256.587 30.513 77.6157 -20.5842 -154.616 PRESSAVG: 281800 -23.8951 -0.22799 44.4674 -0.22806 36.2138 55.0323 44.4674 55.0324 -2.02313 GPRESSAVG: 281800 -24.7511 0.298153 45.2008 1.69961 36.5182 54.6952 42.9991 54.9579 -1.07159 TIMING: 281800 CPU: 833.372, 0.00296228/step Wall: 833.372, 0.00296228/step, 3.88239 hours remaining, 204.097656 MB of memory in use. ENERGY: 281800 745.0076 2105.6763 1941.8872 120.1562 -206006.3159 17578.8222 0.0000 0.0000 34343.9873 -149170.7790 299.9346 -183514.7663 -149076.3843 298.9371 -197.9227 -164.1882 556717.0754 3.4319 3.5652 PRESSURE: 282000 -289.05 -41.4381 7.20555 -41.4368 -58.9331 58.2687 7.20591 58.2677 -340.521 GPRESSURE: 282000 -251.608 -45.8887 36.9939 -3.0325 -27.7769 36.053 -27.209 126.179 -313.29 PRESSAVG: 282000 -17.4885 -50.5257 15.3512 -50.5257 89.1155 20.0989 15.3512 20.0988 -56.0954 GPRESSAVG: 282000 -16.6723 -50.4209 14.688 -52.1545 88.5459 22.6331 14.753 20.4157 -56.2662 TIMING: 282000 CPU: 833.972, 0.0030016/step Wall: 833.972, 0.0030016/step, 3.93376 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: 282000 762.9442 2136.8230 1942.7220 102.7707 -205924.8690 17520.7618 0.0000 0.0000 34362.9309 -149095.9165 300.1000 -183458.8473 -149005.4697 299.8436 -229.5011 -197.5582 558262.8046 5.1772 5.2025 PRESSURE: 282200 133.083 156.503 -46.6747 156.503 68.7198 68.2031 -46.6727 68.2026 -31.2318 GPRESSURE: 282200 151.412 183.752 -80.1164 103.709 113.985 116.286 -61.2562 5.13753 -11.7667 PRESSAVG: 282200 -11.8747 27.3219 8.1605 27.3219 104.287 32.4137 8.16044 32.4136 -53.6263 GPRESSAVG: 282200 -11.9847 29.4139 7.79832 26.6419 104.27 31.9593 11.2981 32.7377 -53.0151 TIMING: 282200 CPU: 834.567, 0.00297443/step Wall: 834.567, 0.00297443/step, 3.89799 hours remaining, 204.097656 MB of memory in use. ENERGY: 282200 708.1924 2119.8554 1925.3055 98.5137 -206369.4906 17902.7572 0.0000 0.0000 34349.0100 -149265.8564 299.9784 -183614.8664 -149168.0903 298.8951 56.8569 84.5433 556670.0857 12.9287 13.0902 PRESSURE: 282400 -358.493 87.0401 104.862 87.041 -75.8841 -0.743569 104.863 -0.745132 31.1816 GPRESSURE: 282400 -352.55 130.089 73.7257 73.0786 -7.21563 26.0344 139.842 -12.9581 61.529 PRESSAVG: 282400 -21.8522 55.7586 -57.5812 55.7586 99.5813 -12.8529 -57.5813 -12.8529 -44.7149 GPRESSAVG: 282400 -22.3285 54.8246 -57.0077 56.2847 99.3074 -12.3671 -58.6804 -15.0241 -43.9361 TIMING: 282400 CPU: 835.165, 0.00299027/step Wall: 835.165, 0.00299027/step, 3.91859 hours remaining, 204.097656 MB of memory in use. ENERGY: 282400 717.2047 2097.4632 1952.6119 110.6024 -205807.6319 17520.8435 0.0000 0.0000 34120.9556 -149287.9506 297.9868 -183408.9063 -149190.3700 298.7249 -134.3987 -99.4124 557037.1672 11.0047 11.0143 PRESSURE: 282600 -80.9141 -170.793 -38.4665 -170.791 -51.4404 -34.7006 -38.4658 -34.7004 -120.153 GPRESSURE: 282600 34.0555 -186.967 -21.8541 -134.626 -28.0064 10.272 -63.588 -21.6422 -154.425 PRESSAVG: 282600 -60.3129 -15.2806 1.92003 -15.2806 -4.04414 13.8177 1.9201 13.8176 41.7335 GPRESSAVG: 282600 -60.2095 -15.0664 2.669 -15.2255 -3.16113 14.0987 -1.05211 15.8669 40.5852 TIMING: 282600 CPU: 835.764, 0.00299439/step Wall: 835.764, 0.00299439/step, 3.92381 hours remaining, 204.097656 MB of memory in use. ENERGY: 282600 742.6895 2066.7765 1966.9525 112.0386 -206034.8048 17615.9902 0.0000 0.0000 34341.6946 -149188.6629 299.9146 -183530.3575 -149092.5907 299.4131 -84.1690 -49.4587 556965.7593 -7.5412 -7.5952 PRESSURE: 282800 -54.9392 39.6928 16.1752 39.6932 256.883 -257.353 16.1753 -257.351 178.849 GPRESSURE: 282800 2.78291 54.6488 51.0926 37.7487 261.282 -224.002 11.9294 -295.082 207.743 PRESSAVG: 282800 1.12051 -35.2437 40.5165 -35.2437 -44.1639 -30.9849 40.5164 -30.9848 45.4343 GPRESSAVG: 282800 2.17884 -37.1826 41.6094 -35.8389 -45.5993 -31.1935 40.3727 -31.9614 45.6344 TIMING: 282800 CPU: 836.359, 0.0029747/step Wall: 836.359, 0.0029747/step, 3.89785 hours remaining, 204.097656 MB of memory in use. ENERGY: 282800 705.8674 2074.3380 1943.1154 114.7115 -206307.9901 17906.7416 0.0000 0.0000 34503.5731 -149059.6432 301.3283 -183563.2163 -148955.6547 299.5773 126.9309 157.2694 556523.1721 0.7970 0.7380 PRESSURE: 283000 -293.54 106.651 111.21 106.651 -263.478 52.2072 111.211 52.2073 -74.6775 GPRESSURE: 283000 -301.304 18.8022 96.9151 83.5344 -226.74 56.7725 56.5293 67.934 -25.2971 PRESSAVG: 283000 3.54258 -16.9831 -7.26476 -16.9832 -52.432 -69.6052 -7.26479 -69.6053 33.701 GPRESSAVG: 283000 1.21451 -17.5704 -6.98904 -16.6271 -50.5581 -69.84 -6.00658 -69.3063 33.9286 TIMING: 283000 CPU: 836.957, 0.00299044/step Wall: 836.957, 0.00299044/step, 3.9183 hours remaining, 204.097656 MB of memory in use. ENERGY: 283000 810.0636 2071.1443 1929.6246 105.6000 -205980.2643 17602.5948 0.0000 0.0000 34177.3303 -149283.9066 298.4791 -183461.2369 -149181.3568 298.5591 -210.5654 -184.4472 559071.3038 -5.0628 -5.1383 PRESSURE: 283200 21.9056 -113.246 -105.942 -113.245 -147.707 91.1314 -105.944 91.1308 42.0672 GPRESSURE: 283200 88.5358 -81.5648 -176.865 -76.6825 -101.482 107.956 -59.4535 103.941 16.2295 PRESSAVG: 283200 -9.62419 25.1415 -2.23937 25.1415 28.2382 76.2766 -2.23938 76.2767 -17.1586 GPRESSAVG: 283200 -9.15435 27.8008 -4.30501 25.1603 28.0079 75.1932 -3.77606 78.3672 -17.0066 TIMING: 283200 CPU: 837.545, 0.00294267/step Wall: 837.545, 0.00294267/step, 3.85555 hours remaining, 204.097656 MB of memory in use. ENERGY: 283200 693.0316 2058.1508 1922.0954 113.0925 -206272.0969 17802.9334 0.0000 0.0000 34413.5913 -149269.2020 300.5425 -183682.7933 -149168.3273 298.6977 -27.9113 1.0945 558082.1115 0.4851 0.6156 PRESSURE: 283400 76.4642 167.069 -73.8358 167.069 -284.092 41.6978 -73.835 41.6974 -164.967 GPRESSURE: 283400 132.181 170.47 -16.8441 141.22 -239.766 47.7472 -119.698 7.01225 -168.993 PRESSAVG: 283400 8.60028 -35.5268 -43.6606 -35.5268 2.69354 45.4357 -43.6606 45.4356 -4.372 GPRESSAVG: 283400 8.94137 -36.3022 -42.1303 -35.7967 2.56363 46.2477 -41.9689 41.7591 -4.96278 TIMING: 283400 CPU: 838.134, 0.00294213/step Wall: 838.134, 0.00294212/step, 3.85467 hours remaining, 204.097656 MB of memory in use. ENERGY: 283400 719.3301 2094.0341 1950.5654 122.8677 -206155.4868 17758.9789 0.0000 0.0000 34214.3030 -149295.4077 298.8020 -183509.7107 -149201.3072 299.4983 -124.1981 -92.1928 559506.7090 2.3073 2.1807 PRESSURE: 283600 -93.6872 2.0623 -128.351 2.06278 67.3318 -42.1746 -128.352 -42.1739 67.6701 GPRESSURE: 283600 -109.862 107.4 -215.354 -89.7483 96.9049 -92.9865 -83.3891 -5.99995 149.305 PRESSAVG: 283600 8.27162 -35.4931 -77.6166 -35.4931 31.4604 -14.5659 -77.6166 -14.5659 -10.275 GPRESSAVG: 283600 8.28179 -35.9753 -79.0931 -34.4627 31.349 -15.6041 -78.3555 -13.0192 -9.4946 TIMING: 283600 CPU: 838.721, 0.00293761/step Wall: 838.721, 0.00293762/step, 3.8486 hours remaining, 204.097656 MB of memory in use. ENERGY: 283600 771.9278 2054.9451 1944.4397 116.9016 -206613.5766 18064.5139 0.0000 0.0000 34278.8364 -149382.0121 299.3656 -183660.8485 -149289.8524 298.9627 13.7715 45.4494 558522.8109 9.8190 10.0454 PRESSURE: 283800 11.3393 -8.80005 76.1819 -8.79984 206.044 117.72 76.1811 117.718 -94.4395 GPRESSURE: 283800 46.306 -59.9228 -11.351 109.256 184.047 79.2657 129.183 79.141 -2.50364 PRESSAVG: 283800 -57.817 -16.9521 -30.4484 -16.9521 88.7733 -9.45021 -30.4484 -9.4502 -0.15446 GPRESSAVG: 283800 -57.9209 -17.7162 -29.4492 -17.3358 89.079 -8.70252 -31.1178 -8.81372 -0.514625 TIMING: 283800 CPU: 839.313, 0.00295856/step Wall: 839.313, 0.00295856/step, 3.87588 hours remaining, 204.167969 MB of memory in use. ENERGY: 283800 743.1538 2088.1252 1952.8164 102.8103 -206463.8496 17922.3155 0.0000 0.0000 34336.9955 -149317.6330 299.8735 -183654.6285 -149227.1596 298.8333 40.9813 75.9496 557317.6014 10.2673 10.2145 PRESSURE: 284000 -53.6912 106.179 9.58005 106.18 -59.9474 18.5968 9.58089 18.5977 207.706 GPRESSURE: 284000 36.8534 138.04 -14.5142 124.62 -102.602 67.1298 14.3909 2.39237 254.19 PRESSAVG: 284000 15.917 40.634 -30.2378 40.6341 -45.8933 11.7251 -30.2378 11.7251 31.0767 GPRESSAVG: 284000 18.0197 40.1848 -30.6441 40.7622 -47.8559 10.3056 -29.2423 12.1085 30.9412 TIMING: 284000 CPU: 839.903, 0.00294894/step Wall: 839.903, 0.00294894/step, 3.86311 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: 284000 729.5521 2079.3586 1941.8212 111.6375 -206173.9934 17722.3108 0.0000 0.0000 34260.0319 -149329.2813 299.2014 -183589.3132 -149231.3006 298.9814 31.3558 62.8138 556623.9523 0.3668 0.3684 PRESSURE: 284200 -152.412 53.9982 27.9692 53.9975 -155.458 158.879 27.9687 158.88 -130.675 GPRESSURE: 284200 -152.326 71.8685 69.6874 54.0881 -115.455 170.67 48.9562 50.9159 -65.0514 PRESSAVG: 284200 21.9207 7.51553 -22.6221 7.51556 -70.7647 1.84242 -22.622 1.84234 -4.00974 GPRESSAVG: 284200 20.079 7.55645 -24.0237 7.32741 -69.5103 2.68212 -22.8956 1.54798 -3.08167 TIMING: 284200 CPU: 840.494, 0.00295563/step Wall: 840.494, 0.00295563/step, 3.87171 hours remaining, 204.167969 MB of memory in use. ENERGY: 284200 758.8579 2134.8998 1927.5255 118.7352 -206295.3311 17687.5801 0.0000 0.0000 34305.0130 -149362.7197 299.5942 -183667.7326 -149271.9969 298.7413 -146.1817 -110.9441 558328.6557 -17.6179 -17.5043 LDB: ============= START OF LOAD BALANCING ============== 843.917 LDB: ============== END OF LOAD BALANCING =============== 843.918 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 843.919 LDB: ============= START OF LOAD BALANCING ============== 844.215 LDB: Largest compute 4848 load 0.025979 is 22.1% of average load 0.117665 LDB: Average compute 0.001735 is 1.5% of average load 0.117665 LDB: TIME 844.217 LOAD: AVG 0.117665 MAX 0.196633 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.41 MB LDB: TIME 844.217 LOAD: AVG 0.117665 MAX 0.196633 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.609 MB LDB: TIME 844.218 LOAD: AVG 0.117665 MAX 0.196633 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 844.219 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 844.223 PRESSURE: 284400 -72.6608 8.36262 -15.7131 8.36239 -241.778 -20.4205 -15.7137 -20.4205 -425.102 GPRESSURE: 284400 -32.9755 16.7949 -122.48 -32.4244 -207.501 -69.2838 -9.50927 -18.7955 -422.447 PRESSAVG: 284400 20.9174 14.2966 3.78194 14.2967 -61.0576 35.9029 3.782 35.903 17.3397 GPRESSAVG: 284400 20.3202 14.7078 4.63175 14.3766 -60.4758 36.5372 4.67201 34.4395 17.09 TIMING: 284400 CPU: 841.094, 0.00300051/step Wall: 841.094, 0.00300051/step, 3.93034 hours remaining, 202.957031 MB of memory in use. ENERGY: 284400 727.9465 2108.0263 1916.1590 104.6246 -205822.5186 17488.9280 0.0000 0.0000 34141.0100 -149335.8242 298.1619 -183476.8342 -149234.4599 298.3606 -246.5134 -220.9744 558379.8678 -7.6001 -7.6886 PRESSURE: 284600 -123.572 -161.802 6.69233 -161.802 29.7624 87.7694 6.69394 87.7694 15.5802 GPRESSURE: 284600 -97.974 -172.086 -6.10166 -139.731 42.7778 9.17102 -51.8987 69.3304 67.0567 PRESSAVG: 284600 0.719212 -41.1576 33.7603 -41.1576 -10.5243 -60.6576 33.7603 -60.6576 -44.9484 GPRESSAVG: 284600 1.58773 -42.504 33.2061 -41.4956 -11.5618 -61.828 35.3649 -57.8959 -44.8672 TIMING: 284600 CPU: 841.683, 0.00294655/step Wall: 841.683, 0.00294655/step, 3.85949 hours remaining, 203.156250 MB of memory in use. ENERGY: 284600 755.0159 2077.0148 1920.5918 100.9028 -205611.8751 17557.5675 0.0000 0.0000 34002.2466 -149198.5357 296.9501 -183200.7823 -149108.2372 297.7821 -26.0766 3.9535 557186.1524 -18.2512 -18.2804 PRESSURE: 284800 -319.617 28.0309 -3.18193 28.0315 -101.329 -20.5885 -3.18146 -20.5891 -117.672 GPRESSURE: 284800 -331.689 15.1333 -34.774 86.9579 -28.9447 57.5901 47.2396 -98.5503 -75.4135 PRESSAVG: 284800 -99.2972 -24.7022 -16.7186 -24.7021 24.8646 -8.16548 -16.7186 -8.16555 93.2208 GPRESSAVG: 284800 -98.9457 -21.5344 -17.4149 -25.8107 25.1289 -6.0747 -17.5254 -10.0955 92.1663 TIMING: 284800 CPU: 842.272, 0.0029449/step Wall: 842.272, 0.0029449/step, 3.85717 hours remaining, 203.156250 MB of memory in use. ENERGY: 284800 774.6936 2151.5173 1919.7768 118.1291 -205892.1799 17573.0652 0.0000 0.0000 34165.3749 -149189.6231 298.3747 -183354.9979 -149094.4330 298.6135 -179.5393 -145.3490 557284.6405 6.2628 6.1165 PRESSURE: 285000 -376.149 72.8234 -26.7663 72.8235 168.026 92.5667 -26.7664 92.5653 46.5291 GPRESSURE: 285000 -271.098 58.3473 -45.2086 99.6688 157.864 87.3989 -8.43989 140.796 46.3647 PRESSAVG: 285000 -17.6052 -0.546193 4.30975 -0.546188 -29.0905 -18.8677 4.30981 -18.8678 30.0878 GPRESSAVG: 285000 -18.2586 -2.89425 5.62549 0.95714 -29.1937 -19.1558 1.35422 -19.8709 30.871 TIMING: 285000 CPU: 842.865, 0.00296365/step Wall: 842.865, 0.00296365/step, 3.88156 hours remaining, 203.156250 MB of memory in use. ENERGY: 285000 769.3511 2058.0429 1948.1376 114.0691 -206211.7749 17740.8843 0.0000 0.0000 34358.2823 -149223.0076 300.0594 -183581.2899 -149119.3894 298.7190 -53.8649 -22.2897 556101.5338 -5.5360 -5.5271 PRESSURE: 285200 156.298 19.9892 -109.037 19.9911 -20.0266 42.7031 -109.035 42.703 171.388 GPRESSURE: 285200 162.464 -3.62497 -82.0942 -63.7822 2.30738 102.914 -124.185 37.0233 242.502 PRESSAVG: 285200 24.1313 -9.02742 18.3397 -9.0274 27.2569 2.96392 18.3396 2.9638 45.387 GPRESSAVG: 285200 24.0959 -9.03737 19.1232 -8.90626 26.7625 2.05826 19.0196 5.57252 45.9886 TIMING: 285200 CPU: 843.455, 0.0029524/step Wall: 843.455, 0.0029524/step, 3.86666 hours remaining, 203.156250 MB of memory in use. ENERGY: 285200 720.3544 2069.4917 1943.3387 109.2291 -206324.6809 17931.3166 0.0000 0.0000 34307.1673 -149243.7831 299.6130 -183550.9504 -149146.8037 299.3463 102.5532 135.7578 556506.3089 32.2584 32.2823 PRESSURE: 285400 -107.908 -27.6818 -92.7336 -27.6811 69.0925 131.653 -92.7338 131.655 -119.122 GPRESSURE: 285400 -57.7445 -12.2724 -8.57745 -112.165 74.0828 70.5372 -155.961 141.258 -79.9974 PRESSAVG: 285400 -48.5179 -53.8957 -65.0429 -53.8957 20.1553 8.83221 -65.0429 8.83228 -40.1393 GPRESSAVG: 285400 -48.3704 -52.5538 -62.6187 -55.0709 19.7466 7.62909 -67.4868 8.62326 -40.8337 TIMING: 285400 CPU: 844.045, 0.00295007/step Wall: 844.045, 0.00295007/step, 3.86344 hours remaining, 203.156250 MB of memory in use. ENERGY: 285400 743.4543 2093.9104 1953.7521 110.8490 -206185.8487 17746.3320 0.0000 0.0000 34186.9400 -149350.6108 298.5631 -183537.5509 -149247.5412 299.2928 -52.6458 -21.2197 557054.3096 -22.8340 -23.1525 PRESSURE: 285600 68.0157 46.0474 311.54 46.0472 115.35 126.712 311.54 126.712 -7.2262 GPRESSURE: 285600 66.1603 82.2413 331.748 60.5149 162.475 145.335 243.965 149.328 52.3543 PRESSAVG: 285600 36.4557 37.8152 26.3224 37.8151 -41.7067 7.82639 26.3224 7.82639 30.3985 GPRESSAVG: 285600 36.5822 38.4145 23.2322 37.4383 -41.264 9.42847 27.4088 6.25519 30.0759 TIMING: 285600 CPU: 844.633, 0.00293942/step Wall: 844.633, 0.00293942/step, 3.84933 hours remaining, 203.156250 MB of memory in use. ENERGY: 285600 739.1117 2145.0357 1922.0316 115.5103 -206317.8001 17866.8961 0.0000 0.0000 34289.0818 -149240.1330 299.4551 -183529.2148 -149143.1993 299.4088 58.7130 93.6632 555770.7396 8.3825 8.4647 PRESSURE: 285800 177.541 -173.776 -4.3537 -173.774 -52.6967 -17.1359 -4.35379 -17.1355 -126.792 GPRESSURE: 285800 138.9 -190.178 8.85502 -132.455 -9.93803 8.33404 0.614508 86.7986 -44.8308 PRESSAVG: 285800 79.0403 -22.9195 -21.9338 -22.9194 -57.836 70.1936 -21.9338 70.1934 -2.28913 GPRESSAVG: 285800 78.1741 -25.2215 -21.2055 -21.0749 -58.9445 68.6675 -23.2777 70.0871 -0.462877 TIMING: 285800 CPU: 845.224, 0.00295283/step Wall: 845.224, 0.00295283/step, 3.86674 hours remaining, 203.156250 MB of memory in use. ENERGY: 285800 718.1639 2130.9997 1947.9765 126.4470 -206156.2216 17700.4259 0.0000 0.0000 34302.5114 -149229.6971 299.5724 -183532.2085 -149136.3169 299.2080 -0.6493 28.0436 556906.6216 6.3051 6.2555 PRESSURE: 286000 -196.195 -33.687 -34.6041 -33.6878 -21.8366 174.202 -34.603 174.203 -256.556 GPRESSURE: 286000 -154.401 -95.8201 36.8149 0.506336 16.9771 115.805 -84.9989 233.578 -261.165 PRESSAVG: 286000 31.4371 -41.8449 60.8366 -41.8449 -12.9597 79.2383 60.8366 79.2383 38.942 GPRESSAVG: 286000 31.7369 -41.2616 59.8323 -44.2094 -11.2099 81.1826 61.9544 79.4406 36.9511 TIMING: 286000 CPU: 845.813, 0.00294397/step Wall: 845.813, 0.00294397/step, 3.85497 hours remaining, 203.156250 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: 286000 728.2545 2078.8119 1962.8596 116.8066 -205890.6141 17535.8432 0.0000 0.0000 34239.3627 -149228.6755 299.0209 -183468.0382 -149131.5643 298.9033 -158.1958 -132.8627 558251.6189 19.1398 19.1594 PRESSURE: 286200 -147.515 -63.0754 11.6086 -63.0752 15.6211 -170.772 11.6074 -170.772 207.844 GPRESSURE: 286200 -51.9126 -41.8763 -12.1754 -52.4228 66.786 -134.152 30.8219 -191.796 164.661 PRESSAVG: 286200 -61.7953 -14.5602 -70.6245 -14.5602 -19.7158 -30.6607 -70.6245 -30.6607 50.191 GPRESSAVG: 286200 -61.3283 -13.1825 -70.4028 -14.2323 -20.6918 -31.2805 -71.4946 -29.8182 51.2259 TIMING: 286200 CPU: 846.404, 0.00295548/step Wall: 846.404, 0.00295548/step, 3.86987 hours remaining, 203.156250 MB of memory in use. ENERGY: 286200 732.0753 2098.0969 1934.2472 116.6532 -206540.4708 18048.9124 0.0000 0.0000 34371.9666 -149238.5192 300.1789 -183610.4858 -149147.6688 298.7116 25.3167 59.8450 558202.0498 -10.4400 -10.2647 PRESSURE: 286400 128.27 59.6471 98.9776 59.6456 -60.5992 -161.31 98.9772 -161.31 463.882 GPRESSURE: 286400 185.349 -10.2059 117.079 55.6559 6.32342 -136.281 126.3 -191.438 440.645 PRESSAVG: 286400 1.19568 -28.3675 -9.41029 -28.3674 -17.9883 -32.7125 -9.41024 -32.7124 26.3208 GPRESSAVG: 286400 1.63627 -28.5048 -12.557 -27.5567 -18.9942 -34.1263 -6.73223 -31.7701 26.5066 TIMING: 286400 CPU: 847, 0.00298361/step Wall: 847, 0.00298361/step, 3.90654 hours remaining, 203.156250 MB of memory in use. ENERGY: 286400 726.2383 2071.5496 1930.7741 111.0936 -206116.1474 18001.5129 0.0000 0.0000 34185.9761 -149089.0027 298.5546 -183274.9788 -148981.0677 299.7366 177.1842 210.7724 557532.4914 3.1760 3.0495 PRESSURE: 286600 42.6228 30.3486 -91.4865 30.3493 -139.672 4.80199 -91.4859 4.7994 31.938 GPRESSURE: 286600 27.7852 46.5258 -9.1799 38.1406 -50.4144 -38.0946 -70.9856 -7.46858 58.2055 PRESSAVG: 286600 49.5847 40.2171 5.63389 40.2171 -16.1955 -29.9148 5.63391 -29.9148 32.5641 GPRESSAVG: 286600 49.0157 40.149 8.99152 41.2757 -16.0362 -29.06 6.20357 -30.8727 32.2542 TIMING: 286600 CPU: 847.591, 0.00295294/step Wall: 847.591, 0.00295294/step, 3.86621 hours remaining, 203.156250 MB of memory in use. ENERGY: 286600 718.9598 2107.4872 1910.8682 117.0523 -205976.8277 17589.3121 0.0000 0.0000 34413.5668 -149119.5813 300.5422 -183533.1481 -149029.9106 299.6362 -21.7038 11.8588 557869.4967 21.9844 21.7445 PRESSURE: 286800 109.612 -156.224 -7.58923 -156.223 -143.143 -22.7257 -7.58803 -22.7266 179.755 GPRESSURE: 286800 112.679 -56.1011 35.3144 -206.675 -80.3021 8.73427 -175.294 46.3404 211.717 PRESSAVG: 286800 43.8226 16.7717 3.01569 16.7717 14.7338 -22.804 3.0157 -22.8039 33.7917 GPRESSAVG: 286800 43.3945 17.8121 2.72195 16.9451 14.8237 -22.7931 1.59283 -23.9578 33.7441 TIMING: 286800 CPU: 848.179, 0.0029419/step Wall: 848.179, 0.0029419/step, 3.8516 hours remaining, 203.156250 MB of memory in use. ENERGY: 286800 784.7500 2049.7978 1917.1925 137.1877 -206581.3771 17986.0860 0.0000 0.0000 34237.9109 -149468.4522 299.0082 -183706.3631 -149369.2560 299.7334 48.7414 81.3645 556460.9848 30.7827 30.6541 PRESSURE: 287000 -34.5461 118.628 6.86953 118.627 324.41 14.2193 6.86908 14.2173 -89.2989 GPRESSURE: 287000 -8.70515 194.178 -41.0155 105.028 353.324 -21.6775 -7.25407 -11.167 -52.6232 PRESSAVG: 287000 -27.7263 -17.2713 -24.0309 -17.2714 3.33934 -96.3963 -24.0309 -96.3963 19.4856 GPRESSAVG: 287000 -27.6798 -17.3113 -25.292 -18.8423 4.35309 -96.2379 -23.547 -96.8459 18.5537 TIMING: 287000 CPU: 848.769, 0.00294608/step Wall: 848.769, 0.00294608/step, 3.85691 hours remaining, 203.156250 MB of memory in use. ENERGY: 287000 715.6662 2060.9169 1955.7800 111.9856 -206214.5532 17945.7655 0.0000 0.0000 34001.0530 -149423.3860 296.9397 -183424.4390 -149324.6187 298.5296 66.8550 97.3319 558102.9976 -1.6338 -1.5910 PRESSURE: 287200 217.314 -85.9175 -36.9005 -85.9179 61.6301 -67.425 -36.901 -67.4258 136.217 GPRESSURE: 287200 236.489 -145.8 23.293 -77.2297 139.825 -3.54826 27.7946 -40.653 143.895 PRESSAVG: 287200 0.298246 -21.3781 48.4799 -21.378 53.4074 -71.3874 48.4799 -71.3874 10.8989 GPRESSAVG: 287200 1.49294 -23.7117 49.9225 -20.4563 52.3793 -71.8678 47.7918 -70.1367 10.4109 TIMING: 287200 CPU: 849.358, 0.00294607/step Wall: 849.358, 0.00294607/step, 3.85673 hours remaining, 203.156250 MB of memory in use. ENERGY: 287200 742.2529 2105.0097 1890.7053 115.1431 -206260.2989 17802.4481 0.0000 0.0000 34180.0922 -149424.6476 298.5032 -183604.7398 -149332.9527 298.7601 138.3867 173.4031 557169.1752 21.5348 21.4277 PRESSURE: 287400 46.6862 -41.8682 73.2437 -41.868 -258.146 -14.5311 73.2426 -14.5313 196.324 GPRESSURE: 287400 131.859 -83.8752 80.1214 32.7215 -304.545 -22.8881 83.1503 -19.6416 251.514 PRESSAVG: 287400 -32.3319 -4.35066 64.8955 -4.35046 14.1565 -3.80128 64.8955 -3.80123 23.6522 GPRESSAVG: 287400 -33.2311 -3.65462 65.3528 -2.01247 14.2023 -3.92703 64.626 -3.34503 24.6517 TIMING: 287400 CPU: 849.947, 0.00294709/step Wall: 849.947, 0.00294709/step, 3.85791 hours remaining, 203.156250 MB of memory in use. ENERGY: 287400 719.5044 2074.9115 1950.6120 102.8881 -206098.5062 17779.5158 0.0000 0.0000 34179.9038 -149291.1706 298.5016 -183471.0744 -149196.8782 298.6502 -5.0455 26.2759 557510.5579 1.8256 1.8743 PRESSURE: 287600 -208.618 -27.3209 86.2227 -27.3214 87.6381 113.151 86.222 113.15 -197.834 GPRESSURE: 287600 -160.087 -37.6862 123.706 -23.8989 112.007 96.9234 1.34646 79.4532 -180.391 PRESSAVG: 287600 33.2821 -31.5276 7.91394 -31.5275 13.8361 -25.238 7.91389 -25.238 -68.302 GPRESSAVG: 287600 32.8757 -30.4429 5.58795 -33.2447 14.5157 -25.2371 9.02889 -25.7718 -68.259 TIMING: 287600 CPU: 850.536, 0.00294483/step Wall: 850.536, 0.00294483/step, 3.85478 hours remaining, 203.156250 MB of memory in use. ENERGY: 287600 758.7389 2102.9613 1940.7248 106.4687 -206379.8609 17843.1847 0.0000 0.0000 34321.6962 -149306.0864 299.7399 -183627.7825 -149213.8882 298.9893 -106.2715 -76.1569 557826.1416 -7.0613 -6.9558 PRESSURE: 287800 -123.539 43.2986 -4.16533 43.2982 -249.446 -23.8877 -4.16591 -23.8897 -206.546 GPRESSURE: 287800 -66.1261 15.3118 -32.1778 112.978 -240.858 -43.1944 5.23666 -51.6251 -169.729 PRESSAVG: 287800 6.94587 -31.2937 24.9495 -31.2939 -36.6186 -21.3291 24.9494 -21.3291 28.8387 GPRESSAVG: 287800 8.64847 -29.7184 27.8964 -33.5988 -38.0007 -20.6595 22.2758 -20.1665 28.6248 TIMING: 287800 CPU: 851.128, 0.00295788/step Wall: 851.128, 0.00295788/step, 3.8717 hours remaining, 203.156250 MB of memory in use. ENERGY: 287800 752.0011 2076.3678 1948.4074 104.4433 -205847.1442 17582.2532 0.0000 0.0000 34110.1330 -149273.5383 297.8923 -183383.6713 -149176.1518 298.6071 -193.1769 -158.9046 559048.0981 -0.2780 -0.2425 PRESSURE: 288000 106.895 60.8668 -27.1006 60.8688 106.705 175.311 -27.1016 175.31 9.56464 GPRESSURE: 288000 108.29 29.9317 -23.8201 104.87 199.346 173.152 -20.7099 184.469 -1.22722 PRESSAVG: 288000 40.2913 1.52929 3.26538 1.52927 -39.8015 -16.231 3.26537 -16.231 -48.6559 GPRESSAVG: 288000 38.4012 -0.361983 0.331093 3.64403 -38.3847 -16.5289 7.16003 -15.5956 -48.5493 TIMING: 288000 CPU: 851.718, 0.00294882/step Wall: 851.718, 0.00294882/step, 3.85968 hours remaining, 203.156250 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: 288000 737.6592 2064.2414 1957.0014 102.5496 -206201.6117 17842.5721 0.0000 0.0000 34085.8645 -149411.7236 297.6803 -183497.5881 -149318.5942 298.3267 74.3879 102.1363 557568.5704 -16.0554 -16.1776 PRESSURE: 288200 100.406 73.3277 -5.88405 73.3276 -59.1612 -57.4587 -5.88386 -57.4593 -141.177 GPRESSURE: 288200 150.154 78.0073 5.12681 21.3284 -81.5148 -124.834 24.9291 -15.5216 -70.9312 PRESSAVG: 288200 50.0182 30.3547 -41.1945 30.3548 33.2237 31.0206 -41.1946 31.0207 -70.7996 GPRESSAVG: 288200 50.8281 31.0116 -38.597 31.1861 32.0754 30.4585 -42.5389 30.4719 -70.6043 TIMING: 288200 CPU: 852.306, 0.00294396/step Wall: 852.306, 0.00294396/step, 3.85315 hours remaining, 203.156250 MB of memory in use. ENERGY: 288200 732.2889 2055.1112 1928.2469 130.0513 -206226.3638 17761.2678 0.0000 0.0000 34119.0211 -149500.3766 297.9699 -183619.3977 -149399.3512 298.0389 -33.3107 -0.7639 558310.5330 4.1475 4.0998 LDB: ============= START OF LOAD BALANCING ============== 855.734 LDB: ============== END OF LOAD BALANCING =============== 855.734 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 855.736 LDB: ============= START OF LOAD BALANCING ============== 856.035 LDB: Largest compute 4848 load 0.027545 is 23.4% of average load 0.117752 LDB: Average compute 0.001739 is 1.5% of average load 0.117752 LDB: TIME 856.037 LOAD: AVG 0.117752 MAX 0.1988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.188 MB LDB: TIME 856.037 LOAD: AVG 0.117752 MAX 0.1988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.188 MB LDB: TIME 856.037 LOAD: AVG 0.117752 MAX 0.1988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.188 MB LDB: ============== END OF LOAD BALANCING =============== 856.039 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 856.043 PRESSURE: 288400 -105.484 -51.8629 -141.523 -51.8631 55.3036 -90.6175 -141.523 -90.6183 -23.4561 GPRESSURE: 288400 -92.6005 -5.82686 -107.33 -41.4234 111.793 -172.49 -196.142 42.5596 5.90251 PRESSAVG: 288400 9.61404 -12.7926 7.14202 -12.7926 -31.6804 -22.104 7.14209 -22.104 -1.31989 GPRESSAVG: 288400 9.83311 -11.4409 6.4373 -14.0234 -31.3966 -21.8291 7.45115 -20.3434 -1.89743 TIMING: 288400 CPU: 852.914, 0.0030361/step Wall: 852.914, 0.0030361/step, 3.97359 hours remaining, 202.238281 MB of memory in use. ENERGY: 288400 765.0300 2129.6385 1918.0708 104.7353 -206414.6549 17922.1368 0.0000 0.0000 34189.9659 -149385.0777 298.5895 -183575.0436 -149290.8917 297.8795 -24.5456 8.3649 558410.9686 -7.7954 -7.8203 PRESSURE: 288600 -97.3029 -33.4052 -59.2256 -33.4062 -123.842 15.3829 -59.2263 15.3833 -100.479 GPRESSURE: 288600 -121.701 20.6531 -64.7746 -83.7465 -77.7144 14.2586 -139.228 -34.5657 -25.782 PRESSAVG: 288600 2.4116 -20.6524 26.8357 -20.6525 -29.8539 14.3689 26.8356 14.3689 26.2204 GPRESSAVG: 288600 1.96056 -22.3908 27.6345 -18.9802 -30.2534 13.2278 25.0021 13.191 26.9006 TIMING: 288600 CPU: 853.506, 0.0029643/step Wall: 853.506, 0.0029643/step, 3.87945 hours remaining, 202.238281 MB of memory in use. ENERGY: 288600 718.5992 2124.8641 1955.6450 116.4714 -205912.4989 17632.7307 0.0000 0.0000 34186.6742 -149177.5143 298.5607 -183364.1885 -149089.6201 299.0597 -107.2079 -75.0658 558585.1307 -0.4073 -0.4641 PRESSURE: 288800 -261.538 -134.934 85.7912 -134.934 139.017 -27.8652 85.7914 -27.8649 -150.922 GPRESSURE: 288800 -216.995 -100.619 62.1739 -192.091 135.515 -9.13665 112.125 -92.3843 -104.765 PRESSAVG: 288800 -61.5927 -25.2299 14.8087 -25.2298 16.7754 3.65436 14.8087 3.65433 22.7249 GPRESSAVG: 288800 -62.4652 -25.6998 13.4479 -26.5933 16.555 4.77882 13.5065 2.53947 23.7311 TIMING: 288800 CPU: 854.096, 0.00294857/step Wall: 854.096, 0.00294857/step, 3.85869 hours remaining, 202.238281 MB of memory in use. ENERGY: 288800 766.4478 2055.5398 1942.1060 118.6150 -206190.3539 17882.5795 0.0000 0.0000 34225.8303 -149199.2356 298.9027 -183425.0658 -149104.4855 299.4723 -91.1476 -62.0818 558105.8850 -7.3642 -7.3930 PRESSURE: 289000 4.51814 -122.308 -129.151 -122.307 120.958 -32.0811 -129.15 -32.0826 -4.3726 GPRESSURE: 289000 85.8765 -181.496 -59.3505 -53.3286 177.57 -36.618 -101.437 -33.9692 -40.6956 PRESSAVG: 289000 -5.79041 -33.2916 42.2881 -33.2916 39.3475 9.13098 42.2882 9.13092 -21.5415 GPRESSAVG: 289000 -5.26334 -32.1282 42.5803 -32.3222 39.7452 8.31779 43.5233 9.31684 -22.2451 TIMING: 289000 CPU: 854.685, 0.00294197/step Wall: 854.685, 0.00294197/step, 3.8499 hours remaining, 202.238281 MB of memory in use. ENERGY: 289000 783.0238 2019.0786 1931.5100 124.2620 -206630.1119 18126.6841 0.0000 0.0000 34363.4785 -149282.0750 300.1048 -183645.5535 -149186.2480 298.6889 40.3677 74.2503 557961.9192 4.0052 4.0789 PRESSURE: 289200 -23.9076 77.029 -102.71 77.0286 -126.424 -58.3632 -102.709 -58.3614 -38.2358 GPRESSURE: 289200 64.0881 60.7732 -92.5736 137.278 -128.284 -70.1608 -91.0821 -109.256 -35.4733 PRESSAVG: 289200 7.70079 -29.6567 25.9535 -29.6567 31.0095 39.3986 25.9535 39.3987 -55.9814 GPRESSAVG: 289200 7.88092 -31.3856 26.8566 -28.8498 31.2307 39.4574 26.3225 40.6956 -56.36 TIMING: 289200 CPU: 855.275, 0.00295405/step Wall: 855.275, 0.00295405/step, 3.86553 hours remaining, 202.238281 MB of memory in use. ENERGY: 289200 711.0483 2097.9666 1923.2805 108.0147 -206506.4150 17814.2496 0.0000 0.0000 34469.2844 -149382.5709 301.0288 -183851.8554 -149278.8725 298.9909 -62.8557 -33.2231 557380.6130 -5.7570 -5.7494 PRESSURE: 289400 -126.697 -22.087 -52.3648 -22.0891 -303.788 -86.178 -52.3638 -86.1783 -385.022 GPRESSURE: 289400 -100.067 -3.20941 -33.9215 -43.2018 -266.992 -55.5162 -70.8728 -35.413 -346.36 PRESSAVG: 289400 45.001 -20.0973 -21.3969 -20.0974 34.4674 -34.6449 -21.3968 -34.645 -19.7109 GPRESSAVG: 289400 43.8157 -18.0084 -22.2656 -19.6474 35.3244 -32.6051 -22.111 -35.1047 -19.6982 TIMING: 289400 CPU: 855.863, 0.00293683/step Wall: 855.863, 0.00293683/step, 3.84285 hours remaining, 202.238281 MB of memory in use. ENERGY: 289400 783.8370 2091.7129 1924.5573 113.3063 -205888.7876 17469.8783 0.0000 0.0000 34041.2085 -149464.2875 297.2903 -183505.4959 -149370.4041 298.4954 -271.8354 -237.8062 557037.7194 19.9192 19.8140 PRESSURE: 289600 8.83425 -47.164 -77.0713 -47.1636 97.7979 230.679 -77.0714 230.679 0.534771 GPRESSURE: 289600 -1.82392 -53.9265 -153.938 -50.8984 122.876 260.656 -40.7774 203.313 70.4562 PRESSAVG: 289600 -11.8912 35.6975 77.0717 35.6975 14.0748 55.2606 77.0716 55.2605 -11.3748 GPRESSAVG: 289600 -12.0045 37.4629 76.4158 33.0478 13.6329 55.449 77.7412 53.9649 -10.471 TIMING: 289600 CPU: 856.458, 0.00297442/step Wall: 856.458, 0.00297442/step, 3.89186 hours remaining, 202.238281 MB of memory in use. ENERGY: 289600 718.7155 2074.5657 1940.2585 99.5134 -206131.0349 17786.9497 0.0000 0.0000 34221.1345 -149289.8977 298.8617 -183511.0322 -149189.1828 298.5437 35.7223 63.8360 556274.1372 -3.0638 -2.9475 PRESSURE: 289800 297.307 -61.906 -22.6965 -61.9066 -94.1166 169.88 -22.6951 169.879 74.4345 GPRESSURE: 289800 295.383 -100.445 -26.7579 -92.2349 -0.239051 155.429 55.2834 193.011 76.2959 PRESSAVG: 289800 39.8466 -60.3621 -26.379 -60.3621 -6.21512 27.53 -26.379 27.5301 -42.0588 GPRESSAVG: 289800 40.6995 -61.9463 -26.2241 -59.0295 -6.03306 26.1829 -26.3685 29.7247 -42.5674 TIMING: 289800 CPU: 857.051, 0.00296509/step Wall: 857.051, 0.00296509/step, 3.87949 hours remaining, 202.238281 MB of memory in use. ENERGY: 289800 698.6343 2101.6878 1942.9490 108.3124 -206188.8215 17741.8322 0.0000 0.0000 34320.2652 -149275.1406 299.7274 -183595.4058 -149182.9953 299.4469 92.5415 123.8134 555113.6995 -2.8091 -2.6336 PRESSURE: 290000 -103.891 9.30972 -186.394 9.3111 -137.068 144.972 -186.393 144.97 -47.9961 GPRESSURE: 290000 -115.576 20.0142 -226.953 -110.409 -85.6907 184.092 -104.3 114.355 7.42666 PRESSAVG: 290000 11.2497 -72.4051 -37.1677 -72.4052 -12.9634 -41.3842 -37.1677 -41.3842 29.2338 GPRESSAVG: 290000 11.3173 -75.0173 -37.2582 -72.6448 -12.9372 -39.4799 -35.9348 -43.5109 29.1879 TIMING: 290000 CPU: 857.646, 0.00297535/step Wall: 857.646, 0.00297535/step, 3.89275 hours remaining, 202.238281 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: 290000 740.7062 2074.1440 1971.0106 125.4266 -206096.1764 17729.6677 0.0000 0.0000 34311.7825 -149143.4389 299.6533 -183455.2213 -149050.0723 299.4950 -96.3182 -64.6134 557245.3068 9.1733 9.1893 PRESSURE: 290200 79.1321 -153.658 -0.016789 -153.658 85.0254 -90.8545 -0.0171124 -90.8548 18.9248 GPRESSURE: 290200 92.8792 -130.969 26.0537 -69.5085 78.8634 -94.5888 -13.0841 -150.118 104.751 PRESSAVG: 290200 -49.356 -42.5461 3.02768 -42.546 10.3318 33.0377 3.02769 33.0378 -3.8441 GPRESSAVG: 290200 -49.6178 -39.5468 4.82446 -41.411 10.8573 31.0109 1.21891 34.9898 -4.15684 TIMING: 290200 CPU: 858.243, 0.00298499/step Wall: 858.243, 0.00298499/step, 3.9052 hours remaining, 202.238281 MB of memory in use. ENERGY: 290200 736.9734 2065.2573 1991.0481 114.0558 -206024.0539 17774.4707 0.0000 0.0000 34408.2542 -148933.9944 300.4958 -183342.2486 -148832.6371 300.3725 61.0274 92.1644 557299.3123 -14.2895 -14.3058 PRESSURE: 290400 -168.313 -53.8414 -92.8267 -53.8416 68.6159 -76.2487 -92.8265 -76.248 -38.1454 GPRESSURE: 290400 -72.5083 -65.7695 -81.5109 -67.2294 58.8525 -16.4337 -100.718 -169.727 -23.714 PRESSAVG: 290400 -20.4439 -1.92717 -38.3513 -1.92705 48.311 -20.1197 -38.3513 -20.1196 28.5012 GPRESSAVG: 290400 -21.0791 -0.759651 -39.6284 -3.81244 48.0258 -19.7719 -38.5927 -22.4676 29.2473 TIMING: 290400 CPU: 858.834, 0.00295666/step Wall: 858.834, 0.00295666/step, 3.86797 hours remaining, 202.238281 MB of memory in use. ENERGY: 290400 722.1498 2091.1292 1968.8548 115.2544 -205702.6456 17640.3546 0.0000 0.0000 34140.2060 -149024.6967 298.1549 -183164.9028 -148926.0709 299.5251 -45.9476 -12.4566 557465.9356 18.7894 18.7313 PRESSURE: 290600 -8.66953 -112.343 26.6333 -112.344 121.455 2.56061 26.6324 2.56132 -28.8906 GPRESSURE: 290600 54.5434 -69.2582 5.54137 -129.152 126.749 -30.5286 31.381 50.9832 -4.61354 PRESSAVG: 290600 -3.74411 -21.7746 -92.4901 -21.7745 10.2642 -84.4036 -92.4901 -84.4035 -9.84741 GPRESSAVG: 290600 -2.34256 -23.5875 -93.1581 -19.2503 9.70395 -85.2318 -92.9827 -81.6442 -10.5813 TIMING: 290600 CPU: 859.425, 0.00295701/step Wall: 859.425, 0.00295701/step, 3.86826 hours remaining, 202.238281 MB of memory in use. ENERGY: 290600 750.7510 2127.8491 1949.6612 114.1251 -205744.8418 17579.2795 0.0000 0.0000 34210.6748 -149012.5010 298.7703 -183223.1759 -148926.4570 299.4987 27.9650 58.8931 555919.1551 -1.1091 -1.0733 PRESSURE: 290800 71.4526 11.3122 -80.817 11.311 -38.4714 -67.1926 -80.8178 -67.1933 -204.663 GPRESSURE: 290800 70.5568 -54.915 -90.927 -2.00157 -20.237 -96.3167 28.6443 -192.245 -136.198 PRESSAVG: 290800 -11.0501 -29.3874 29.0444 -29.3875 44.9071 -23.9148 29.0444 -23.9149 -14.9531 GPRESSAVG: 290800 -12.4596 -29.741 29.2272 -30.8821 45.8298 -24.818 31.9361 -24.02 -15.005 TIMING: 290800 CPU: 860.02, 0.00297365/step Wall: 860.02, 0.00297365/step, 3.88987 hours remaining, 202.238281 MB of memory in use. ENERGY: 290800 749.7161 2104.2714 1968.8754 118.2546 -206198.3315 17753.6109 0.0000 0.0000 34342.3195 -149161.2835 299.9200 -183503.6030 -149062.8397 299.8536 -57.2272 -28.6259 556784.5381 6.3013 6.1217 PRESSURE: 291000 74.3046 -128.356 -160.996 -128.356 -170.822 61.2489 -160.996 61.2478 62.8666 GPRESSURE: 291000 97.9592 -153.234 -96.5669 -81.241 -126.332 113.307 -139.707 -12.1952 95.7497 PRESSAVG: 291000 -15.7974 -56.3397 -11.0053 -56.3397 15.5409 -56.6314 -11.0052 -56.6316 11.8119 GPRESSAVG: 291000 -14.0662 -55.0187 -10.7021 -56.8249 13.5529 -53.8642 -13.0932 -57.3235 12.0807 TIMING: 291000 CPU: 860.613, 0.00296554/step Wall: 860.613, 0.00296554/step, 3.87908 hours remaining, 202.238281 MB of memory in use. ENERGY: 291000 735.2740 2051.8486 1935.6193 117.1576 -205964.4152 17561.4176 0.0000 0.0000 34389.8947 -149173.2033 300.3355 -183563.0980 -149084.4360 300.2920 -11.2168 22.4591 556127.6883 3.8518 3.8558 PRESSURE: 291200 -486.714 -79.6674 -39.4127 -79.6678 -116.751 -38.1039 -39.4133 -38.1035 -240.014 GPRESSURE: 291200 -489.774 -54.6201 -70.9897 -14.3265 -70.7876 -34.7134 48.5025 -53.3555 -173.392 PRESSAVG: 291200 -4.24832 -45.4565 -32.2943 -45.4565 30.7566 42.3254 -32.2943 42.3254 13.955 GPRESSAVG: 291200 -5.82174 -45.0443 -34.3214 -45.435 31.9865 40.0837 -31.1129 42.103 14.028 TIMING: 291200 CPU: 861.201, 0.00294064/step Wall: 861.201, 0.00294064/step, 3.84635 hours remaining, 202.238281 MB of memory in use. ENERGY: 291200 708.6803 2064.1684 1949.0830 127.6714 -205362.5223 17254.5999 0.0000 0.0000 34131.1246 -149127.1947 298.0756 -183258.3193 -149023.3478 300.1102 -281.1595 -244.6513 559761.8767 13.4878 13.3976 PRESSURE: 291400 -215.332 -72.11 33.7983 -72.1097 -120.615 -7.79562 33.7978 -7.7965 -104.681 GPRESSURE: 291400 -210.978 -50.675 31.9561 -81.7705 -95.7125 -82.1367 33.8982 51.1424 -40.15 PRESSAVG: 291400 -37.6823 -56.5858 14.5754 -56.5857 -26.2417 -41.6943 14.5753 -41.6943 76.1417 GPRESSAVG: 291400 -37.3093 -58.557 16.1859 -54.7618 -25.5915 -41.6382 12.666 -40.7362 75.2166 TIMING: 291400 CPU: 861.796, 0.00297158/step Wall: 861.796, 0.00297158/step, 3.88666 hours remaining, 202.238281 MB of memory in use. ENERGY: 291400 762.6855 2034.3222 1936.8390 103.6413 -205801.9551 17733.8391 0.0000 0.0000 34054.8653 -149175.7627 297.4096 -183230.6280 -149075.1452 299.3481 -146.8759 -115.6135 559450.1522 4.0726 4.1053 PRESSURE: 291600 -6.14238 -116.393 171.561 -116.394 -61.5635 -43.6762 171.56 -43.6768 -62.6368 GPRESSURE: 291600 0.59883 -48.0835 148.17 -89.1612 -38.6437 -57.3377 152.017 -67.9843 -5.74167 PRESSAVG: 291600 -21.622 -52.4096 6.97322 -52.4096 -40.6611 34.2281 6.97327 34.2282 64.7574 GPRESSAVG: 291600 -21.6914 -51.8208 8.26019 -53.2633 -41.6889 35.115 7.28577 35.2691 65.4405 TIMING: 291600 CPU: 862.39, 0.00297066/step Wall: 862.39, 0.00297066/step, 3.8853 hours remaining, 202.238281 MB of memory in use. ENERGY: 291600 707.4903 2092.8251 1960.5188 103.5092 -205872.8941 17630.8124 0.0000 0.0000 34182.3481 -149195.3900 298.5229 -183377.7381 -149096.5844 299.1177 -43.4476 -14.5955 558394.0001 0.8248 0.6867 PRESSURE: 291800 -180.298 183.794 7.33439 183.796 -224.64 -106.454 7.33474 -106.453 -200.073 GPRESSURE: 291800 -163.604 147.988 83.9569 267.181 -198.671 17.5446 -7.01294 -106.941 -149.865 PRESSAVG: 291800 8.59425 -20.6956 -37.9454 -20.6956 26.952 22.0254 -37.9454 22.0254 -37.3681 GPRESSAVG: 291800 9.97207 -21.0904 -39.2873 -21.4884 27.6406 24.4599 -35.8079 19.1835 -39.1931 TIMING: 291800 CPU: 862.982, 0.00295944/step Wall: 862.982, 0.00295944/step, 3.87045 hours remaining, 202.238281 MB of memory in use. ENERGY: 291800 756.0973 2016.4637 1952.3058 123.1235 -206130.7957 17603.7816 0.0000 0.0000 34506.7068 -149172.3171 301.3557 -183679.0239 -149069.9551 298.6860 -201.6707 -170.7133 558521.6357 -0.6073 -0.5268 PRESSURE: 292000 143.475 57.4065 -111.31 57.4062 150.122 77.4526 -111.312 77.4533 101.072 GPRESSURE: 292000 203.847 -3.22389 -196.937 31.5317 195.827 93.7125 -79.8064 107.829 73.4225 PRESSAVG: 292000 -42.4771 15.8115 -43.3112 15.8115 -7.16903 26.4443 -43.3112 26.4443 43.1442 GPRESSAVG: 292000 -43.1655 16.3457 -42.2834 16.56 -7.61422 24.4771 -44.1219 26.6844 44.6158 TIMING: 292000 CPU: 863.573, 0.00295568/step Wall: 863.573, 0.00295568/step, 3.86538 hours remaining, 202.238281 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: 292000 721.0847 2054.1944 1966.4123 119.5654 -206623.4276 18187.7973 0.0000 0.0000 34295.6651 -149278.7084 299.5126 -183574.3735 -149182.4054 298.8733 131.5564 157.6989 558181.8396 -2.1673 -2.0547 PRESSURE: 292200 -49.1674 -48.4688 -1.49751 -48.4683 -219.358 138.057 -1.49725 138.055 -284.834 GPRESSURE: 292200 -58.5776 19.1998 11.2399 -51.8217 -155.783 141.167 -88.8998 134.055 -241.112 PRESSAVG: 292200 15.2994 -58.4926 -56.8787 -58.4926 15.0295 63.1889 -56.8787 63.1889 -35.0658 GPRESSAVG: 292200 16.1576 -58.949 -57.1017 -60.1399 15.3344 63.7538 -56.7653 66.4549 -36.3009 TIMING: 292200 CPU: 864.165, 0.0029603/step Wall: 864.165, 0.0029603/step, 3.87125 hours remaining, 202.238281 MB of memory in use. ENERGY: 292200 737.4304 2066.2575 1939.9344 116.7256 -205761.8705 17569.2744 0.0000 0.0000 33980.8906 -149351.3576 296.7636 -183332.2482 -149252.6221 298.0548 -184.4532 -151.8244 559926.5514 -1.5790 -1.6030 LDB: ============= START OF LOAD BALANCING ============== 867.591 LDB: ============== END OF LOAD BALANCING =============== 867.591 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 867.593 LDB: ============= START OF LOAD BALANCING ============== 867.888 LDB: Largest compute 4848 load 0.029902 is 25.4% of average load 0.117741 LDB: Average compute 0.001730 is 1.5% of average load 0.117741 LDB: TIME 867.89 LOAD: AVG 0.117741 MAX 0.196563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.777 MB LDB: TIME 867.891 LOAD: AVG 0.117741 MAX 0.196563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.777 MB LDB: TIME 867.891 LOAD: AVG 0.117741 MAX 0.196563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.777 MB LDB: ============== END OF LOAD BALANCING =============== 867.893 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 867.897 PRESSURE: 292400 -169.009 -29.7171 -78.5221 -29.7176 -313.337 -87.2388 -78.5218 -87.24 -438.518 GPRESSURE: 292400 -139.081 -185.081 -107.719 -9.43867 -300.682 -81.3826 -78.4829 -151.999 -382.82 PRESSAVG: 292400 -11.8153 39.0012 -47.655 39.0011 15.7186 52.5191 -47.655 52.5192 -37.4088 GPRESSAVG: 292400 -12.5269 39.7369 -50.1622 39.1146 14.1948 50.9723 -44.9514 50.2441 -34.6023 TIMING: 292400 CPU: 864.767, 0.00301026/step Wall: 864.767, 0.00301026/step, 3.93642 hours remaining, 202.812500 MB of memory in use. ENERGY: 292400 725.5282 2138.9951 1962.1782 114.4042 -205686.8400 17269.8409 0.0000 0.0000 34187.7036 -149288.1897 298.5697 -183475.8933 -149195.0944 298.2561 -306.9547 -274.1941 559744.7504 -11.1685 -10.9781 PRESSURE: 292600 -91.7234 77.9189 -22.9987 77.9201 -50.9191 50.3675 -22.999 50.3684 350.683 GPRESSURE: 292600 -18.0206 120.786 -65.5516 0.817582 4.50738 90.283 43.6249 -16.5103 329.496 PRESSAVG: 292600 -36.6412 -6.38908 56.0165 -6.38906 24.5414 51.9419 56.0165 51.9419 -9.18505 GPRESSAVG: 292600 -35.9407 -6.16653 57.6907 -6.67226 25.795 52.0925 52.2366 53.6584 -10.921 TIMING: 292600 CPU: 865.358, 0.00295337/step Wall: 865.358, 0.00295337/step, 3.86186 hours remaining, 202.812500 MB of memory in use. ENERGY: 292600 737.1081 2041.5632 1960.7380 114.5867 -206355.4146 17991.6984 0.0000 0.0000 34146.3688 -149363.3514 298.2087 -183509.7202 -149261.1654 298.1844 69.3468 105.3275 558010.7200 -7.0949 -7.0222 PRESSURE: 292800 134.879 -33.3774 34.3772 -33.3778 27.5999 112.51 34.3779 112.508 -123.334 GPRESSURE: 292800 150.831 -7.21459 26.6529 -25.3338 7.92104 108.213 -14.9677 67.7938 -32.2479 PRESSAVG: 292800 -26.6208 -1.41131 -14.0984 -1.4114 58.0366 23.9485 -14.0985 23.9485 -52.2079 GPRESSAVG: 292800 -26.7761 -1.65792 -11.6295 -0.408325 56.9201 25.0087 -13.2753 23.3512 -51.5864 TIMING: 292800 CPU: 865.949, 0.00295649/step Wall: 865.949, 0.00295649/step, 3.86577 hours remaining, 202.812500 MB of memory in use. ENERGY: 292800 746.1584 2108.5586 1989.5291 104.6665 -206586.7066 18040.8882 0.0000 0.0000 34161.3031 -149435.6027 298.3392 -183596.9058 -149333.9798 298.3052 13.0484 42.1680 557855.5061 -6.9307 -7.1475 PRESSURE: 293000 46.6388 251.662 8.54176 251.662 124.801 53.83 8.54183 53.8315 173.594 GPRESSURE: 293000 85.0335 318.041 5.91296 184.593 164.383 48.3087 -16.925 38.8437 178.637 PRESSAVG: 293000 10.5753 37.1467 19.4019 37.1466 31.9963 24.3217 19.4019 24.3218 -44.2904 GPRESSAVG: 293000 9.31783 36.6941 17.6931 38.3401 33.5891 23.5084 18.6523 25.6676 -44.73 TIMING: 293000 CPU: 866.54, 0.0029554/step Wall: 866.54, 0.0029554/step, 3.86418 hours remaining, 202.812500 MB of memory in use. ENERGY: 293000 711.9711 2089.4613 1983.3317 103.1822 -206420.0422 18109.8350 0.0000 0.0000 34207.1975 -149215.0635 298.7400 -183422.2610 -149113.6659 298.7573 115.0114 142.6847 559959.9100 -0.5729 -0.6077 PRESSURE: 293200 -178.223 41.7496 -5.49111 41.7491 86.973 -171.575 -5.49053 -171.576 -19.6799 GPRESSURE: 293200 -44.3551 102.286 -41.5589 31.231 92.5888 -127.412 97.0203 -133.194 -63.0486 PRESSAVG: 293200 13.682 101.903 19.9668 101.903 30.8757 6.25216 19.9668 6.25202 -29.3164 GPRESSAVG: 293200 13.9247 102.137 20.4154 99.8677 31.2379 6.33019 21.72 3.93348 -29.629 TIMING: 293200 CPU: 867.142, 0.00300772/step Wall: 867.142, 0.00300772/step, 3.93242 hours remaining, 202.812500 MB of memory in use. ENERGY: 293200 777.3467 2028.6062 1958.8190 132.8804 -206114.4989 17910.6209 0.0000 0.0000 34071.3379 -149234.8878 297.5535 -183306.2258 -149140.7540 299.1874 -36.9767 -4.9383 559297.4164 5.0805 5.1779 PRESSURE: 293400 -24.9894 140.103 -36.1968 140.103 -74.7046 -102.175 -36.1967 -102.175 -103.504 GPRESSURE: 293400 -33.5962 154.432 -1.45999 66.2165 -53.1225 -78.5938 6.49805 -54.0053 -24.5978 PRESSAVG: 293400 35.6124 76.4839 3.01787 76.484 16.5612 -25.5678 3.01782 -25.5678 -52.8103 GPRESSAVG: 293400 34.1423 77.1768 1.17728 76.3148 16.3584 -25.3182 5.00567 -24.2376 -51.565 TIMING: 293400 CPU: 867.732, 0.00295104/step Wall: 867.732, 0.00295104/step, 3.85816 hours remaining, 202.812500 MB of memory in use. ENERGY: 293400 735.4672 2078.8394 1953.3768 116.1927 -206408.3466 17933.1836 0.0000 0.0000 34165.9438 -149425.3431 298.3797 -183591.2869 -149322.8204 298.7449 -67.7326 -37.1055 558510.7026 -0.2122 -0.3548 PRESSURE: 293600 -13.2923 7.08375 3.09141 7.08291 5.51155 -15.3873 3.09113 -15.3865 -302.759 GPRESSURE: 293600 -33.2601 8.12348 26.5567 -3.61864 21.7448 -52.9767 -16.0012 -27.1144 -199.233 PRESSAVG: 293600 -18.1413 47.7097 -23.7689 47.7096 -23.964 43.8505 -23.7689 43.8505 31.746 GPRESSAVG: 293600 -16.3673 47.2834 -22.7545 48.1329 -25.0349 42.5025 -27.2504 42.5733 30.6953 TIMING: 293600 CPU: 868.325, 0.00296456/step Wall: 868.325, 0.00296456/step, 3.87566 hours remaining, 202.812500 MB of memory in use. ENERGY: 293600 770.7685 2069.2439 1962.5934 115.8662 -206159.7579 17793.2174 0.0000 0.0000 34279.8561 -149168.2123 299.3745 -183448.0685 -149076.6695 298.8921 -103.5133 -70.2493 558022.0471 -3.4531 -3.5690 PRESSURE: 293800 -24.9095 205.537 -45.4585 205.537 -265.805 118.07 -45.4592 118.068 -112.177 GPRESSURE: 293800 37.5033 183.013 21.7757 157.83 -251.394 135.37 -73.0487 64.7675 -83.973 PRESSAVG: 293800 -42.1059 44.8208 -7.41351 44.8209 1.23922 35.4516 -7.41357 35.4516 19.8232 GPRESSAVG: 293800 -42.3043 45.9421 -6.6228 45.2377 1.34659 36.1197 -10.2772 33.5479 20.2699 TIMING: 293800 CPU: 868.919, 0.00296929/step Wall: 868.919, 0.00296929/step, 3.88168 hours remaining, 202.812500 MB of memory in use. ENERGY: 293800 779.9719 2107.9743 1941.7252 107.7290 -205965.3035 17574.1554 0.0000 0.0000 34179.5129 -149274.2348 298.4982 -183453.7477 -149180.9123 298.7187 -134.2972 -99.2879 558413.7557 -7.0145 -6.8959 PRESSURE: 294000 -51.7764 -11.9408 56.3787 -11.9421 16.0782 -62.2227 56.3769 -62.2223 -183.075 GPRESSURE: 294000 9.62722 29.393 86.7328 -52.0281 16.076 -25.2241 89.3293 -110.967 -158.111 PRESSAVG: 294000 -14.7721 25.0449 -25.5607 25.0448 91.9909 -15.0266 -25.5607 -15.0267 -36.005 GPRESSAVG: 294000 -14.5719 23.9134 -25.7284 24.3585 92.5806 -15.1607 -22.9076 -14.1233 -36.6524 TIMING: 294000 CPU: 869.514, 0.00297545/step Wall: 869.514, 0.00297545/step, 3.88957 hours remaining, 202.812500 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: 294000 770.9913 2131.8339 1956.5343 126.5211 -206672.3812 17870.4168 0.0000 0.0000 34367.2117 -149448.8721 300.1374 -183816.0839 -149351.9028 298.7049 -72.9244 -44.1359 558589.8691 13.7379 13.7854 PRESSURE: 294200 -233.285 26.5351 -138.978 26.535 -273.675 120.101 -138.979 120.101 -55.8243 GPRESSURE: 294200 -196.487 70.4851 -97.7966 32.8114 -226.297 164.151 -106.918 126.66 -41.7445 PRESSAVG: 294200 17.4088 38.4181 -29.962 38.4181 12.0308 -67.6569 -29.9621 -67.6567 4.5246 GPRESSAVG: 294200 17.3587 38.9625 -29.3634 40.6381 12.0878 -66.6633 -30.4353 -66.6492 4.29849 TIMING: 294200 CPU: 870.107, 0.00296633/step Wall: 870.107, 0.00296633/step, 3.87749 hours remaining, 202.812500 MB of memory in use. ENERGY: 294200 806.5071 2103.6643 1947.6892 124.4762 -206563.2013 18005.1174 0.0000 0.0000 34203.1269 -149372.6201 298.7044 -183575.7470 -149278.5568 298.7311 -187.5950 -154.8428 560367.5173 11.3214 11.2483 PRESSURE: 294400 167.309 5.74884 34.5038 5.74885 261.151 -17.5388 34.5052 -17.5396 178.872 GPRESSURE: 294400 185.802 -58.4858 82.179 -4.785 300.161 21.9144 59.6998 0.085981 221.746 PRESSAVG: 294400 101.438 34.7786 -60.1884 34.7787 59.8913 -7.85908 -60.1883 -7.85906 -97.5385 GPRESSAVG: 294400 101.227 33.1316 -57.9856 35.514 60.4073 -7.9782 -60.24 -8.00238 -97.4194 TIMING: 294400 CPU: 870.695, 0.00294218/step Wall: 870.695, 0.00294218/step, 3.84576 hours remaining, 202.812500 MB of memory in use. ENERGY: 294400 768.5991 2083.6041 1947.8287 124.4780 -206821.8709 18214.1583 0.0000 0.0000 34435.4909 -149247.7118 300.7337 -183683.2027 -149153.2156 298.8941 202.4442 235.9034 557854.7607 21.2635 21.4050 PRESSURE: 294600 -418.011 -79.7898 -165.405 -79.7896 -402.036 -46.8762 -165.404 -46.8776 -147.686 GPRESSURE: 294600 -325.809 35.0753 -155.221 -101.92 -370.064 14.0956 -196.012 -63.6091 -160.992 PRESSAVG: 294600 -95.3131 17.9007 6.62278 17.9007 76.631 29.1371 6.6228 29.1371 15.5638 GPRESSAVG: 294600 -93.7995 21.262 4.30366 14.9529 75.7625 27.1288 7.78476 30.6572 15.4365 TIMING: 294600 CPU: 871.287, 0.00295859/step Wall: 871.287, 0.00295859/step, 3.86704 hours remaining, 202.812500 MB of memory in use. ENERGY: 294600 767.9165 2119.3937 1934.8700 109.2571 -205709.3863 17541.8430 0.0000 0.0000 34107.8069 -149128.2993 297.8720 -183236.1062 -149030.2213 299.2162 -322.5779 -285.6219 561110.3763 -1.0394 -0.8668 PRESSURE: 294800 -62.744 183.365 -13.2357 183.365 102.731 -81.5704 -13.2355 -81.5697 -108.49 GPRESSURE: 294800 -18.4121 173.226 40.6363 202.644 94.6624 -45.0746 -38.4114 -40.8341 -52.8102 PRESSAVG: 294800 -38.9842 36.3887 -16.6506 36.3888 98.4583 -22.9702 -16.6506 -22.9702 -10.0554 GPRESSAVG: 294800 -40.7049 34.7121 -17.3884 38.0971 99.3867 -20.0191 -18.238 -22.7741 -9.65623 TIMING: 294800 CPU: 871.877, 0.00295008/step Wall: 871.877, 0.00295008/step, 3.85576 hours remaining, 202.812500 MB of memory in use. ENERGY: 294800 781.6264 2044.9772 1951.9474 121.1124 -206368.4418 17936.6562 0.0000 0.0000 34413.9536 -149118.1687 300.5456 -183532.1223 -149020.9557 299.4136 -22.8342 7.8134 559505.0696 16.4729 16.3419 PRESSURE: 295000 93.596 -44.652 -123.604 -44.6519 173.377 -102.206 -123.605 -102.206 108.599 GPRESSURE: 295000 129.962 -42.3211 -60.8597 -37.0716 192.949 -46.2395 -91.0421 -123.256 144.051 PRESSAVG: 295000 -19.0054 35.7404 -26.9897 35.7405 29.4471 -36.3049 -26.9898 -36.3049 -13.1127 GPRESSAVG: 295000 -17.6731 36.3351 -25.5225 32.8726 28.7017 -37.7082 -26.8501 -37.0418 -13.7309 TIMING: 295000 CPU: 872.466, 0.00294445/step Wall: 872.466, 0.00294445/step, 3.84823 hours remaining, 202.812500 MB of memory in use. ENERGY: 295000 731.8791 2108.1258 1941.2880 100.2364 -206502.7308 18138.7339 0.0000 0.0000 34279.8569 -149202.6107 299.3745 -183482.4677 -149111.8273 299.5743 125.1905 155.6541 560025.3050 -0.8904 -0.9008 PRESSURE: 295200 -297.252 42.3743 163.889 42.3751 -370.475 -16.6474 163.889 -16.6477 -29.5251 GPRESSURE: 295200 -263.232 43.4383 148.923 14.9651 -377.49 10.0018 182.357 -5.50523 26.1923 PRESSAVG: 295200 -13.091 -17.9069 7.29159 -17.9068 3.41063 -46.6133 7.2917 -46.6134 30.5388 GPRESSAVG: 295200 -13.3353 -16.7277 8.47156 -17.5116 3.58621 -44.9761 6.28708 -48.873 30.4483 TIMING: 295200 CPU: 873.052, 0.00292877/step Wall: 873.052, 0.00292877/step, 3.82758 hours remaining, 202.812500 MB of memory in use. ENERGY: 295200 724.9017 2131.9877 1936.7401 116.0847 -206052.1417 17612.5248 0.0000 0.0000 34190.0029 -149339.8998 298.5898 -183529.9027 -149249.3137 298.6855 -232.4175 -204.8433 560337.6604 6.9528 6.8997 PRESSURE: 295400 -84.1359 56.6233 15.6848 56.6244 35.4346 69.0441 15.6856 69.0434 -361.497 GPRESSURE: 295400 -90.1423 86.0019 66.0501 78.9189 83.5094 31.5946 -21.6438 20.2545 -311.086 PRESSAVG: 295400 -26.1016 -22.4737 -66.0972 -22.4736 -11.7885 11.5371 -66.0972 11.537 -8.48918 GPRESSAVG: 295400 -26.2937 -23.5097 -67.9608 -21.7532 -12.889 9.40115 -65.0212 12.8949 -7.41397 TIMING: 295400 CPU: 873.639, 0.00293639/step Wall: 873.639, 0.00293639/step, 3.83737 hours remaining, 202.812500 MB of memory in use. ENERGY: 295400 740.5474 2039.2874 1971.3123 113.7108 -206031.7916 17687.1423 0.0000 0.0000 34146.6034 -149333.1879 298.2108 -183479.7914 -149237.1162 298.3392 -136.7328 -105.9064 559022.3237 -15.4598 -15.5322 PRESSURE: 295600 -129.97 89.8792 110.836 89.8795 96.777 -6.70414 110.836 -6.70417 -27.1968 GPRESSURE: 295600 -71.1149 94.9522 163.048 129.208 115.066 -33.3344 118.555 60.0277 2.23574 PRESSAVG: 295600 22.2456 33.988 9.41442 33.988 0.561337 27.5798 9.41447 27.5799 13.1283 GPRESSAVG: 295600 22.6397 32.8226 9.32071 34.7369 1.52163 28.059 10.3417 28.5634 11.7326 TIMING: 295600 CPU: 874.231, 0.00295831/step Wall: 874.231, 0.00295831/step, 3.86586 hours remaining, 202.812500 MB of memory in use. ENERGY: 295600 732.8320 2024.1947 1970.3772 119.2290 -206305.9644 17850.1915 0.0000 0.0000 34237.9664 -149371.1736 299.0087 -183609.1400 -149275.0965 298.9501 -20.1299 15.3957 558524.7507 11.9784 11.9646 PRESSURE: 295800 -225.23 135.694 68.5052 135.694 47.7232 -2.94342 68.5054 -2.94359 -2.67159 GPRESSURE: 295800 -172.247 237.921 110.489 62.8985 78.2795 -60.8592 31.613 -14.0017 5.06951 PRESSAVG: 295800 -22.838 36.8883 59.1289 36.8882 -41.4239 29.9805 59.1289 29.9804 33.6839 GPRESSAVG: 295800 -23.8663 37.8726 59.8447 37.391 -41.7683 30.6422 58.0276 30.0215 34.5001 TIMING: 295800 CPU: 874.827, 0.00297965/step Wall: 874.827, 0.00297965/step, 3.89357 hours remaining, 202.812500 MB of memory in use. ENERGY: 295800 732.5090 2062.3458 1941.1722 112.4910 -206111.3017 17763.1402 0.0000 0.0000 33932.1972 -149567.4463 296.3383 -183499.6435 -149474.2549 298.0858 -60.0594 -29.6325 557536.4692 -10.1926 -10.3782 PRESSURE: 296000 6.36477 70.4893 56.2317 70.489 -191.851 -10.4661 56.2323 -10.466 -28.1432 GPRESSURE: 296000 20.2496 46.8747 -6.35598 26.9997 -120.252 25.0264 73.0594 -56.5156 -23.8859 PRESSAVG: 296000 17.924 47.4409 -28.8803 47.4409 -28.192 -41.9176 -28.8802 -41.9175 10.1479 GPRESSAVG: 296000 17.15 48.838 -28.4523 46.9066 -28.6559 -39.0756 -27.0286 -43.7643 11.0097 TIMING: 296000 CPU: 875.421, 0.00297095/step Wall: 875.421, 0.00297096/step, 3.88205 hours remaining, 202.812500 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: 296000 723.8426 2026.3007 1933.3486 107.1705 -206155.2920 17606.2154 0.0000 0.0000 34210.0148 -149548.3994 298.7646 -183758.4142 -149448.6280 298.2592 -71.2099 -41.2962 556494.5114 -0.0400 -0.1654 PRESSURE: 296200 -41.4027 47.1901 31.3998 47.1915 119.319 -41.1436 31.3997 -41.1427 -39.3895 GPRESSURE: 296200 31.3474 10.9039 -13.6153 69.3108 80.8385 -56.4739 19.8121 -50.6888 11.3922 PRESSAVG: 296200 2.30814 19.7931 1.67423 19.7931 -34.9279 -11.4595 1.67426 -11.4595 -10.1429 GPRESSAVG: 296200 2.51677 18.0434 -1.51268 19.3338 -34.4098 -13.4665 1.31698 -10.6774 -11.2596 TIMING: 296200 CPU: 876.017, 0.00298158/step Wall: 876.017, 0.00298158/step, 3.89577 hours remaining, 202.812500 MB of memory in use. ENERGY: 296200 779.4213 2032.1145 1969.7773 111.1748 -206796.7776 18113.8866 0.0000 0.0000 34168.0192 -149622.3840 298.3978 -183790.4031 -149526.1132 298.1177 12.8424 41.1927 556613.2855 -14.2542 -14.3842 LDB: ============= START OF LOAD BALANCING ============== 879.446 LDB: ============== END OF LOAD BALANCING =============== 879.446 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 879.448 LDB: ============= START OF LOAD BALANCING ============== 879.747 LDB: Largest compute 4848 load 0.030999 is 26.4% of average load 0.117637 LDB: Average compute 0.001723 is 1.5% of average load 0.117637 LDB: TIME 879.749 LOAD: AVG 0.117637 MAX 0.199328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.582 MB LDB: TIME 879.749 LOAD: AVG 0.117637 MAX 0.199328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.582 MB LDB: TIME 879.749 LOAD: AVG 0.117637 MAX 0.199328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.582 MB LDB: ============== END OF LOAD BALANCING =============== 879.751 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 879.755 PRESSURE: 296400 95.155 -136.342 -24.701 -136.342 163.963 21.9939 -24.7011 21.9942 109.169 GPRESSURE: 296400 126.929 -123.171 -78.3051 -171.823 173.681 132.065 7.59137 -5.97435 162.188 PRESSAVG: 296400 10.8783 17.7691 60.8404 17.7691 5.94476 9.41245 60.8404 9.41235 0.21356 GPRESSAVG: 296400 11.6379 18.0174 61.1503 19.2941 5.14623 7.70364 60.1683 10.9051 -0.0817722 TIMING: 296400 CPU: 876.626, 0.00304308/step Wall: 876.626, 0.00304308/step, 3.97596 hours remaining, 204.097656 MB of memory in use. ENERGY: 296400 776.6660 2111.5996 1948.5438 110.3358 -206738.6822 18175.9127 0.0000 0.0000 33985.2953 -149630.3290 296.8020 -183615.6243 -149528.5739 298.2638 122.7624 154.2662 556549.7876 5.6789 5.5675 PRESSURE: 296600 -33.6289 -6.34191 -101.945 -6.34336 310.716 -58.1544 -101.945 -58.1542 165.54 GPRESSURE: 296600 -20.0754 -34.2317 -87.9412 15.0666 307.128 -91.2818 -15.227 -92.7629 252.348 PRESSAVG: 296600 -8.90104 -18.7174 4.57895 -18.7174 48.0796 8.26266 4.57887 8.26262 -42.8374 GPRESSAVG: 296600 -9.22596 -18.3429 5.34576 -18.436 47.3145 8.56204 4.3248 7.67517 -42.1013 TIMING: 296600 CPU: 877.221, 0.00297776/step Wall: 877.221, 0.00297776/step, 3.89044 hours remaining, 204.300781 MB of memory in use. ENERGY: 296600 761.7726 2092.0170 1956.2670 110.5851 -206772.6579 18127.8062 0.0000 0.0000 34074.0677 -149650.1422 297.5773 -183724.2099 -149551.3460 298.1839 147.5422 179.8002 556371.5588 -1.2196 -1.3376 PRESSURE: 296800 -219.876 -64.6894 125.5 -64.6896 258.025 152.879 125.498 152.878 -227.292 GPRESSURE: 296800 -180.154 -23.3181 156.86 -69.8439 256.388 144.493 84.4694 80.5868 -173.007 PRESSAVG: 296800 -16.2588 -0.893018 -32.2869 -0.892997 40.1921 -23.2352 -32.2869 -23.2354 5.82882 GPRESSAVG: 296800 -15.676 -0.397076 -33.4354 -0.413439 40.3647 -22.1101 -31.4264 -25.5843 5.36785 TIMING: 296800 CPU: 877.821, 0.00300026/step Wall: 877.821, 0.00300026/step, 3.91968 hours remaining, 204.300781 MB of memory in use. ENERGY: 296800 760.7805 2072.3790 1962.7329 122.7684 -206046.5559 17635.6094 0.0000 0.0000 33939.4149 -149552.8708 296.4014 -183492.2857 -149461.5292 298.2279 -63.0474 -32.2577 556129.7310 9.9207 10.0189 PRESSURE: 297000 -5.33404 78.3766 -137.373 78.3775 -33.2648 77.7068 -137.372 77.7065 -48.4098 GPRESSURE: 297000 44.1587 -46.7908 -114.255 114.828 33.2108 64.964 -116.375 42.7366 -56.8666 PRESSAVG: 297000 -17.7369 65.6589 37.661 65.6589 -47.4298 -22.605 37.6611 -22.605 40.4868 GPRESSAVG: 297000 -18.0349 63.9842 40.335 64.4215 -47.412 -24.1925 36.9157 -20.0652 41.1855 TIMING: 297000 CPU: 878.418, 0.0029818/step Wall: 878.418, 0.0029818/step, 3.89538 hours remaining, 204.300781 MB of memory in use. ENERGY: 297000 736.6754 2122.2559 1960.5610 123.2530 -206353.1827 17782.1438 0.0000 0.0000 34196.9638 -149431.3298 298.6506 -183628.2936 -149342.8386 297.7964 -29.0029 6.8343 556624.2725 -8.2266 -8.0871 PRESSURE: 297200 78.4807 7.21043 -90.8646 7.21151 147.182 -58.958 -90.8642 -58.9577 76.6398 GPRESSURE: 297200 124.896 65.0838 -132.814 11.4331 143.809 -62.7511 -85.6134 -47.0191 136.424 PRESSAVG: 297200 -23.9383 24.7865 30.4654 24.7866 49.8409 -50.6381 30.4654 -50.6381 -58.8276 GPRESSAVG: 297200 -24.4596 24.997 28.6094 25.3962 50.4226 -50.5721 29.682 -51.937 -57.9799 TIMING: 297200 CPU: 879.003, 0.00292569/step Wall: 879.003, 0.00292569/step, 3.82193 hours remaining, 204.300781 MB of memory in use. ENERGY: 297200 738.7608 2060.0947 1946.7781 122.8432 -206609.4528 18137.1612 0.0000 0.0000 34200.9486 -149402.8661 298.6854 -183603.8147 -149304.2930 298.1296 100.7676 135.0427 558228.7367 -10.9750 -10.6723 PRESSURE: 297400 111.006 -56.8581 244.5 -56.8574 -116.047 68.0742 244.5 68.0742 52.2097 GPRESSURE: 297400 109.865 46.2385 316.066 -41.8572 -113.986 61.7475 204.741 88.3394 137.85 PRESSAVG: 297400 41.0358 -41.3373 -17.003 -41.3373 41.8348 27.6075 -17.0031 27.6074 -52.8721 GPRESSAVG: 297400 42.2946 -40.1014 -15.2639 -40.9288 42.0125 30.0857 -16.2336 27.0448 -54.2896 TIMING: 297400 CPU: 879.587, 0.00292175/step Wall: 879.587, 0.00292175/step, 3.81662 hours remaining, 204.300781 MB of memory in use. ENERGY: 297400 776.0794 2063.0980 1926.0990 107.9911 -206566.0456 17950.0042 0.0000 0.0000 34368.9060 -149373.8679 300.1522 -183742.7739 -149281.0107 298.5510 15.7229 44.5766 557613.8557 9.9995 10.0058 PRESSURE: 297600 72.5958 -92.4277 -158.835 -92.4275 39.3801 -8.37349 -158.834 -8.37336 174.655 GPRESSURE: 297600 118.854 -27.8705 -192.075 -106.758 81.5291 -30.0447 -91.0444 11.642 184.514 PRESSAVG: 297600 -33.8344 37.255 -10.0246 37.255 36.9281 49.02 -10.0245 49.02 38.0126 GPRESSAVG: 297600 -33.8889 37.9766 -10.0981 36.712 37.7754 50.2218 -11.493 49.3174 37.4624 TIMING: 297600 CPU: 880.173, 0.00292755/step Wall: 880.173, 0.00292755/step, 3.82404 hours remaining, 204.300781 MB of memory in use. ENERGY: 297600 763.5282 2090.8221 1941.6058 124.4446 -206291.2999 17828.2183 0.0000 0.0000 34154.3993 -149388.2816 298.2789 -183542.6808 -149297.2227 298.5853 95.5437 128.2991 556777.2041 13.7021 13.7830 PRESSURE: 297800 154.621 -2.04513 93.0081 -2.04717 -46.7169 160.984 93.0071 160.984 220.626 GPRESSURE: 297800 163.373 -160.446 59.164 35.7398 -12.0445 120.304 113.53 111.783 276.267 PRESSAVG: 297800 -67.8872 -10.3273 -82.0187 -10.3273 11.9677 -28.4982 -82.0186 -28.4983 42.39 GPRESSAVG: 297800 -67.5044 -10.6746 -83.8901 -11.2491 12.0896 -30.7399 -80.0313 -26.4955 41.7883 TIMING: 297800 CPU: 880.758, 0.00292752/step Wall: 880.758, 0.00292752/step, 3.82382 hours remaining, 204.300781 MB of memory in use. ENERGY: 297800 728.4941 2038.1921 1937.8078 112.7296 -206623.4495 17989.5825 0.0000 0.0000 34411.8964 -149404.7469 300.5277 -183816.6433 -149303.9125 299.1764 109.5100 142.5316 556773.0591 -4.5098 -4.5422 PRESSURE: 298000 194.448 -89.0109 105.887 -89.0131 -29.0262 -44.1573 105.887 -44.157 289.784 GPRESSURE: 298000 175.653 -187.334 102.376 -94.1312 57.875 -78.3993 20.4614 -15.1679 314.416 PRESSAVG: 298000 -44.5233 -6.53216 -34.6237 -6.53222 -33.0413 28.5655 -34.6236 28.5655 40.489 GPRESSAVG: 298000 -45.0014 -5.62692 -33.4899 -7.94293 -33.5404 29.5837 -37.1004 27.3143 41.2174 TIMING: 298000 CPU: 881.347, 0.002946/step Wall: 881.347, 0.002946/step, 3.8478 hours remaining, 204.300781 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: 298000 733.6598 2141.9426 1961.5009 123.2097 -206324.1829 17856.0336 0.0000 0.0000 34216.3657 -149291.4705 298.8200 -183507.8362 -149197.6039 299.1342 151.7350 182.6480 557471.2922 -12.3585 -12.4414 PRESSURE: 298200 -299.545 22.6112 70.0775 22.612 2.69651 406.389 70.0771 406.389 6.93179 GPRESSURE: 298200 -292.916 30.0361 27.8964 24.5844 6.32194 386.169 109.5 368.474 101.91 PRESSAVG: 298200 -22.4442 32.9018 15.6885 32.9018 41.4469 48.0768 15.6885 48.0767 7.88672 GPRESSAVG: 298200 -23.0863 32.4042 16.2716 36.231 43.5372 48.1899 17.3653 48.2369 6.2237 TIMING: 298200 CPU: 881.942, 0.0029754/step Wall: 881.942, 0.0029754/step, 3.88604 hours remaining, 204.300781 MB of memory in use. ENERGY: 298200 754.6183 2135.3645 1960.8704 108.8238 -206069.7491 17678.9865 0.0000 0.0000 34219.3693 -149211.7162 298.8463 -183431.0856 -149114.7022 298.9908 -96.6388 -61.5612 557906.0323 8.9631 8.8915 PRESSURE: 298400 -139.25 39.0006 30.3102 39.0005 -153.534 66.281 30.3104 66.2818 -131.584 GPRESSURE: 298400 -114.109 -19.1593 -22.1509 87.902 -138.986 90.581 -16.1265 94.3434 -68.9133 PRESSAVG: 298400 -41.3611 -6.32237 37.1982 -6.32239 14.9191 49.3563 37.1983 49.3564 27.0118 GPRESSAVG: 298400 -42.0502 -3.66008 36.0719 -7.86899 12.933 47.8045 36.9447 51.2657 29.2609 TIMING: 298400 CPU: 882.537, 0.0029721/step Wall: 882.537, 0.0029721/step, 3.88156 hours remaining, 204.300781 MB of memory in use. ENERGY: 298400 740.1389 2127.1051 1949.9812 112.2727 -206010.3367 17650.6733 0.0000 0.0000 34147.4796 -149282.6859 298.2184 -183430.1655 -149188.8554 298.9549 -141.4561 -107.3360 557746.7303 0.1899 0.0479 PRESSURE: 298600 139.183 68.0601 -122.647 68.0602 233.414 -77.8035 -122.646 -77.8029 -25.1801 GPRESSURE: 298600 117.87 91.3408 -94.386 131.154 284.554 -36.1157 -144.029 -136.516 46.2455 PRESSAVG: 298600 -14.2519 -17.579 -62.4566 -17.579 25.0611 34.2446 -62.4566 34.2446 -6.77115 GPRESSAVG: 298600 -14.249 -17.4594 -60.8822 -18.4066 25.9305 35.195 -62.5532 31.6665 -7.73057 TIMING: 298600 CPU: 883.127, 0.0029484/step Wall: 883.127, 0.0029484/step, 3.85044 hours remaining, 204.300781 MB of memory in use. ENERGY: 298600 711.9649 2155.1070 1910.2500 116.6782 -206215.8338 17942.5624 0.0000 0.0000 34121.0129 -149258.2584 297.9873 -183379.2713 -149170.9541 298.3280 115.8057 149.5564 558586.1868 1.3460 1.3170 PRESSURE: 298800 -20.3351 27.9811 37.7522 27.9803 175.732 40.5878 37.7525 40.5878 -131.213 GPRESSURE: 298800 21.4808 9.07503 -12.8833 -68.5445 243.198 44.7311 132.028 63.9656 -143.092 PRESSAVG: 298800 78.332 47.6139 -18.8419 47.6138 18.4981 61.924 -18.8419 61.924 -35.8369 GPRESSAVG: 298800 79.0259 45.2142 -19.4995 49.9396 18.2124 60.0174 -18.7625 61.6728 -36.2534 TIMING: 298800 CPU: 883.718, 0.00295586/step Wall: 883.718, 0.00295586/step, 3.86003 hours remaining, 204.300781 MB of memory in use. ENERGY: 298800 739.0283 2150.0315 1938.3012 116.9357 -206137.1326 17812.4978 0.0000 0.0000 34144.4873 -149235.8509 298.1923 -183380.3382 -149135.9152 298.8493 8.0612 40.5289 557359.3976 20.3311 20.3283 PRESSURE: 299000 143.735 -50.1009 -23.0513 -50.1011 -45.6895 35.798 -23.0508 35.7973 -38.7294 GPRESSURE: 299000 193.196 -80.8529 -109.449 -89.6807 -34.5017 -29.2382 -56.127 80.1359 -11.1332 PRESSAVG: 299000 13.8614 -39.6772 46.0036 -39.6772 25.3129 -3.99014 46.0036 -3.9902 -94.3232 GPRESSAVG: 299000 13.229 -41.4062 46.2651 -39.9388 26.3405 -4.97715 44.8551 -2.83667 -94.5736 TIMING: 299000 CPU: 884.306, 0.0029403/step Wall: 884.306, 0.0029403/step, 3.83954 hours remaining, 204.300781 MB of memory in use. ENERGY: 299000 763.7177 2117.3498 1938.6327 108.8869 -206069.2127 17741.5015 0.0000 0.0000 34083.4222 -149315.7018 297.6590 -183399.1240 -149223.7673 299.3880 19.7721 49.1870 556002.7186 -18.3830 -18.3347 PRESSURE: 299200 -52.6174 8.78956 -215.049 8.78951 134.028 140.24 -215.048 140.239 149.919 GPRESSURE: 299200 -7.30447 -69.2043 -248.804 18.4102 145.078 87.0646 -224.989 96.0201 177.695 PRESSAVG: 299200 -39.0118 3.1843 23.0774 3.18424 6.37278 3.16607 23.0774 3.16603 28.0991 GPRESSAVG: 299200 -38.2946 4.40702 20.8049 2.39458 6.27854 4.69256 24.9554 0.681833 27.915 TIMING: 299200 CPU: 884.896, 0.00294849/step Wall: 884.896, 0.00294849/step, 3.85007 hours remaining, 204.300781 MB of memory in use. ENERGY: 299200 748.5234 2085.4352 1934.0511 108.3427 -206471.2509 17841.5735 0.0000 0.0000 34397.9955 -149355.3295 300.4062 -183753.3250 -149258.1959 299.4586 77.1099 105.1562 555509.7462 -1.5133 -1.3670 PRESSURE: 299400 -10.5443 100.045 -11.2191 100.044 68.1076 1.07511 -11.2194 1.07552 99.6334 GPRESSURE: 299400 -10.813 173.468 -58.0568 50.6912 137.781 21.2129 -24.221 -20.4721 124.324 PRESSAVG: 299400 -29.6493 60.3596 -14.1317 60.3596 41.6304 16.521 -14.1318 16.521 18.4608 GPRESSAVG: 299400 -31.5827 61.9105 -13.6506 58.781 41.3993 17.5679 -14.1513 18.9109 20.7819 TIMING: 299400 CPU: 885.485, 0.00294783/step Wall: 885.485, 0.00294783/step, 3.84905 hours remaining, 204.300781 MB of memory in use. ENERGY: 299400 714.0695 2064.5883 1968.0138 118.3884 -206210.5418 17821.1423 0.0000 0.0000 34164.0747 -149360.2648 298.3634 -183524.3395 -149267.5994 299.3749 52.3989 83.7639 556448.8372 10.1473 10.1995 PRESSURE: 299600 45.0132 -45.22 -70.38 -45.2205 166.034 -104.475 -70.3802 -104.476 -30.1061 GPRESSURE: 299600 51.9994 -19.2095 -143.19 -48.8043 180.767 -29.9293 -54.444 -136.886 40.6476 PRESSAVG: 299600 -13.2194 27.0421 -38.187 27.0421 59.7284 14.1481 -38.1871 14.148 -43.05 GPRESSAVG: 299600 -13.1672 26.891 -38.5158 28.7567 60.7007 14.3989 -38.954 12.2068 -44.1931 TIMING: 299600 CPU: 886.078, 0.00296527/step Wall: 886.078, 0.00296527/step, 3.87166 hours remaining, 204.300781 MB of memory in use. ENERGY: 299600 705.9462 2047.1369 1936.9019 115.1406 -205999.8409 17695.7683 0.0000 0.0000 34260.7849 -149238.1620 299.2080 -183498.9469 -149136.3988 298.2777 60.3139 91.1381 557155.5422 1.1530 1.1135 PRESSURE: 299800 -130.531 78.4818 -36.0808 78.481 -96.901 12.0847 -36.0804 12.0857 -105.056 GPRESSURE: 299800 -67.9668 -32.4623 -43.431 98.4949 -121.908 113.583 -105.502 -46.637 -50.4786 PRESSAVG: 299800 0.589174 -21.9919 27.116 -21.9918 55.1862 -16.4281 27.1159 -16.428 -47.9616 GPRESSAVG: 299800 1.29468 -24.4487 27.8072 -23.2902 55.0775 -15.8175 29.8815 -18.0434 -48.2091 TIMING: 299800 CPU: 886.671, 0.0029623/step Wall: 886.671, 0.0029623/step, 3.86761 hours remaining, 204.300781 MB of memory in use. ENERGY: 299800 732.1882 2072.6709 1963.0049 116.2879 -205818.8050 17607.3722 0.0000 0.0000 34069.6696 -149257.6113 297.5389 -183327.2809 -149172.7207 299.2130 -110.8293 -80.1178 557267.6800 2.6046 2.7210 PRESSURE: 300000 139.871 60.3035 166.623 60.3039 -179.882 -92.3083 166.624 -92.3081 -7.98843 GPRESSURE: 300000 145.338 63.1729 123.106 97.4084 -140.231 -89.6095 134.733 -80.3145 41.75 PRESSAVG: 300000 12.8522 -17.7273 0.784057 -17.7274 -47.9688 -49.1387 0.784067 -49.1388 3.29008 GPRESSAVG: 300000 14.0001 -15.2038 0.0855327 -16.8035 -48.8765 -52.1693 -0.850603 -46.828 3.30503 TIMING: 300000 CPU: 887.267, 0.00298149/step Wall: 887.267, 0.00298149/step, 3.8925 hours remaining, 204.300781 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: 300000 730.0361 2074.2110 1958.6768 113.7090 -206347.6630 17773.9520 0.0000 0.0000 34409.5966 -149287.4815 300.5076 -183697.0781 -149186.2649 299.0794 -16.0000 15.6192 556580.9600 -10.6089 -10.5238 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 300000 WRITING COORDINATES TO RESTART FILE AT STEP 300000 FINISHED WRITING RESTART COORDINATES The last position output (seq=300000) takes 0.010 seconds, 204.301 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, 204.301 MB of memory in use PRESSURE: 300200 -153.033 57.6594 7.20872 57.6593 141.761 115.409 7.20898 115.409 -15.2721 GPRESSURE: 300200 -106.284 43.1887 24.7772 44.5764 147.826 157.821 -21.0024 59.6731 27.7093 PRESSAVG: 300200 98.5129 25.5166 -30.9053 25.5166 -44.6486 -12.16 -30.9054 -12.1598 -29.0538 GPRESSAVG: 300200 99.0178 24.4822 -27.1547 25.1014 -45.1151 -10.3716 -32.1256 -12.4665 -28.7785 TIMING: 300200 CPU: 887.879, 0.00305939/step Wall: 887.879, 0.00305939/step, 3.99404 hours remaining, 204.300781 MB of memory in use. ENERGY: 300200 710.4230 2064.8888 1962.7363 110.6838 -206399.6238 17838.8843 0.0000 0.0000 34420.5325 -149291.4750 300.6031 -183712.0076 -149194.5737 299.3486 -8.8481 23.0840 555979.9370 8.2702 8.3748 LDB: ============= START OF LOAD BALANCING ============== 891.305 LDB: ============== END OF LOAD BALANCING =============== 891.305 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 891.307 LDB: ============= START OF LOAD BALANCING ============== 891.606 LDB: Largest compute 4848 load 0.030670 is 26.0% of average load 0.117751 LDB: Average compute 0.001729 is 1.5% of average load 0.117751 LDB: TIME 891.608 LOAD: AVG 0.117751 MAX 0.198628 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.586 MB LDB: TIME 891.609 LOAD: AVG 0.117751 MAX 0.198628 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.688 MB LDB: TIME 891.609 LOAD: AVG 0.117751 MAX 0.198628 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.688 MB LDB: ============== END OF LOAD BALANCING =============== 891.611 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 891.615 PRESSURE: 300400 -52.3102 36.5714 -44.1166 36.5714 -210.341 22.2051 -44.1171 22.2055 -98.1181 GPRESSURE: 300400 -48.0975 13.9175 38.7989 19.299 -186.874 18.6645 -84.276 85.3437 -29.7646 PRESSAVG: 300400 -16.7474 -8.70234 -27.6371 -8.70233 -35.4043 -24.2701 -27.6371 -24.2701 32.0469 GPRESSAVG: 300400 -17.2044 -7.24611 -28.1146 -8.74826 -34.2403 -23.7564 -25.2978 -24.0116 30.878 TIMING: 300400 CPU: 888.486, 0.00303561/step Wall: 888.486, 0.00303561/step, 3.96281 hours remaining, 203.261719 MB of memory in use. ENERGY: 300400 775.0765 2068.2744 1972.5568 107.1910 -206013.0944 17673.2369 0.0000 0.0000 34142.7735 -149273.9853 298.1773 -183416.7588 -149174.4897 299.0953 -120.2565 -88.2454 558495.4679 -6.7016 -6.8555 PRESSURE: 300600 241.408 -169.916 -28.2786 -169.915 222.979 -12.396 -28.2781 -12.3962 14.3406 GPRESSURE: 300600 226.43 -227.403 -91.754 -74.5069 182.869 7.87444 89.1299 -13.0317 163.025 PRESSAVG: 300600 63.5442 -0.178427 8.63704 -0.178412 -47.2452 64.8165 8.63695 64.8164 -4.83029 GPRESSAVG: 300600 63.6658 -1.45802 6.97986 -0.779017 -49.2784 64.5218 7.35016 64.5531 -3.61451 TIMING: 300600 CPU: 889.081, 0.00297713/step Wall: 889.081, 0.00297713/step, 3.88631 hours remaining, 203.718750 MB of memory in use. ENERGY: 300600 728.7599 2065.7917 1992.1680 111.3629 -206552.1197 18089.1664 0.0000 0.0000 34336.0562 -149228.8145 299.8653 -183564.8707 -149138.9531 299.0680 159.5757 190.7747 557809.2974 3.8229 3.5910 PRESSURE: 300800 -144.378 -26.5472 -147.47 -26.5481 -52.8727 -156.095 -147.471 -156.095 -251.239 GPRESSURE: 300800 -128.744 -4.04449 -143.289 -41.0175 -14.3421 -180.099 -155.947 -198.46 -218.161 PRESSAVG: 300800 -6.63311 -57.5564 27.3912 -57.5564 14.6706 28.6855 27.3912 28.6856 -8.2098 GPRESSAVG: 300800 -7.1978 -57.6329 26.9493 -57.8159 15.4076 29.3126 29.2264 27.6074 -8.06425 TIMING: 300800 CPU: 889.679, 0.00298641/step Wall: 889.679, 0.00298641/step, 3.89826 hours remaining, 203.718750 MB of memory in use. ENERGY: 300800 778.8922 2069.7849 1969.8177 112.3649 -206280.8766 17932.8359 0.0000 0.0000 34214.6624 -149202.5187 298.8052 -183417.1811 -149105.0607 299.5686 -149.4965 -120.4159 558964.2980 -0.0574 0.0485 PRESSURE: 301000 -115.073 146.31 67.661 146.312 -37.3703 -56.0416 67.661 -56.0418 178.018 GPRESSURE: 301000 -107.076 182.597 101.525 132.117 59.1257 -128.576 -39.8335 -41.0226 174.488 PRESSAVG: 301000 -12.0856 37.6865 -29.6242 37.6865 27.7914 77.8445 -29.6241 77.8446 -15.2522 GPRESSAVG: 301000 -12.0683 38.2398 -27.7675 37.6016 27.8656 79.0441 -31.0194 78.2598 -15.2372 TIMING: 301000 CPU: 890.275, 0.00298048/step Wall: 890.275, 0.00298048/step, 3.89035 hours remaining, 203.718750 MB of memory in use. ENERGY: 301000 752.7592 2075.9311 1992.2487 110.7804 -206165.6434 17857.4302 0.0000 0.0000 34273.1394 -149103.3543 299.3159 -183376.4938 -149005.2551 299.3760 8.5251 42.1794 558185.9901 0.1512 0.1867 PRESSURE: 301200 49.5635 49.9942 -77.9323 49.9951 154.246 6.1417 -77.9324 6.14032 -90.866 GPRESSURE: 301200 111.201 27.4732 -77.1939 -31.0008 177.961 20.1363 -86.1632 2.26727 -74.0696 PRESSAVG: 301200 -19.8324 8.50173 -52.0155 8.50181 41.1636 49.7485 -52.0155 49.7487 -11.9106 GPRESSAVG: 301200 -18.2825 8.6624 -55.394 8.42253 41.0854 48.8095 -48.7012 52.4035 -13.6555 TIMING: 301200 CPU: 890.867, 0.00295905/step Wall: 890.867, 0.00295905/step, 3.86222 hours remaining, 203.839844 MB of memory in use. ENERGY: 301200 738.4456 2113.2966 1969.8915 110.8553 -205738.3527 17519.0961 0.0000 0.0000 34144.3858 -149142.3818 298.1914 -183286.7676 -149053.3537 299.3215 37.6478 71.6977 557288.4710 3.1402 3.0491 PRESSURE: 301400 105.484 -182.525 89.4766 -182.525 56.8343 1.34765 89.4776 1.34682 -109.175 GPRESSURE: 301400 140.799 -125.167 130.134 -121.515 74.3447 46.7332 177.62 97.8382 -58.7099 PRESSAVG: 301400 61.5364 -11.4259 -65.2889 -11.4259 23.0588 38.8571 -65.2889 38.8571 -91.427 GPRESSAVG: 301400 60.4216 -11.998 -61.4354 -11.0733 22.7754 37.3513 -68.8418 39.4506 -90.0766 TIMING: 301400 CPU: 891.46, 0.00296952/step Wall: 891.46, 0.00296952/step, 3.87572 hours remaining, 203.839844 MB of memory in use. ENERGY: 301400 755.3271 2039.9492 1976.9941 120.3801 -205948.9161 17885.9583 0.0000 0.0000 34286.1002 -148884.2070 299.4290 -183170.3072 -148789.1738 300.2373 17.7142 52.1447 557687.6207 -2.2773 -2.2932 PRESSURE: 301600 -56.7677 -35.5706 168.119 -35.5709 -202.6 -106.979 168.118 -106.98 -64.8422 GPRESSURE: 301600 -10.7598 -32.8689 111.134 -68.91 -193.446 -173.592 214.938 -83.6393 -15.2937 PRESSAVG: 301600 44.9987 -41.6771 0.984975 -41.6771 49.0491 -35.3609 0.984845 -35.3608 -35.4239 GPRESSAVG: 301600 46.4872 -40.7715 -1.41295 -42.402 47.5112 -34.2267 1.75733 -37.3021 -35.4885 TIMING: 301600 CPU: 892.053, 0.00296176/step Wall: 892.053, 0.00296176/step, 3.86543 hours remaining, 203.839844 MB of memory in use. ENERGY: 301600 763.6126 2044.3950 1978.1899 108.1234 -206101.0692 17713.0077 0.0000 0.0000 34417.9820 -149075.7585 300.5808 -183493.7406 -148979.5298 300.0503 -108.0698 -73.1663 556357.7504 19.5413 19.5033 PRESSURE: 301800 10.7412 108.433 -62.6424 108.435 -455.245 134.247 -62.6427 134.247 -55.1514 GPRESSURE: 301800 42.9439 27.3111 50.0629 122.034 -390.669 86.6211 -77.5113 152.958 -49.3156 PRESSAVG: 301800 8.07231 5.5066 -24.4994 5.50663 6.01058 -62.3997 -24.4994 -62.3996 -47.1072 GPRESSAVG: 301800 6.93393 3.91949 -21.71 5.90517 8.13034 -62.5875 -26.6327 -60.7585 -47.8518 TIMING: 301800 CPU: 892.649, 0.00298084/step Wall: 892.649, 0.00298084/step, 3.89016 hours remaining, 203.839844 MB of memory in use. ENERGY: 301800 756.7356 2075.1946 1980.8812 114.6440 -205787.4068 17456.0320 0.0000 0.0000 34396.9501 -149006.9694 300.3971 -183403.9194 -148917.1247 300.0379 -166.5517 -132.3469 557330.0567 -11.0081 -10.9292 PRESSURE: 302000 -72.6969 12.6399 -87.4338 12.6403 66.9766 72.1357 -87.433 72.1355 -54.9909 GPRESSURE: 302000 -34.2738 48.1969 -162.768 -53.4483 76.7353 72.0531 -60.5843 22.1428 -18.4426 PRESSAVG: 302000 35.3226 -14.9227 9.00971 -14.9228 24.0486 -18.1224 9.00982 -18.1224 -50.4688 GPRESSAVG: 302000 35.7918 -14.7711 8.65247 -16.4764 22.4201 -17.3553 11.2284 -20.0579 -49.6567 TIMING: 302000 CPU: 893.243, 0.00296802/step Wall: 893.243, 0.00296802/step, 3.87327 hours remaining, 203.839844 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: 302000 741.2045 2125.2783 1960.4073 104.1053 -206291.4766 17891.2231 0.0000 0.0000 34125.2230 -149344.0351 298.0241 -183469.2582 -149247.2852 300.0467 -20.2370 8.0063 556368.1619 2.9674 2.8517 PRESSURE: 302200 15.8912 -40.4188 -23.9305 -40.4192 -19.3368 -60.9676 -23.9302 -60.9678 324.358 GPRESSURE: 302200 58.7824 -6.16339 -30.6368 -30.0621 35.1129 -96.0271 -34.6076 17.7516 312.785 PRESSAVG: 302200 25.4492 6.31806 14.2537 6.31809 -55.8574 -57.099 14.2537 -57.099 -10.0998 GPRESSAVG: 302200 25.5158 5.27405 9.99757 8.32379 -55.3344 -59.4357 16.4441 -55.9282 -11.1923 TIMING: 302200 CPU: 893.832, 0.00294524/step Wall: 893.832, 0.00294524/step, 3.84337 hours remaining, 203.839844 MB of memory in use. ENERGY: 302200 723.2372 2173.9776 1948.7454 98.9570 -206169.1702 17861.3585 0.0000 0.0000 34113.4762 -149249.4182 297.9215 -183362.8945 -149152.0563 299.1825 106.9708 135.5601 557690.4734 -13.5027 -13.6703 PRESSURE: 302400 233.592 -71.5127 -2.33511 -71.512 -111.338 -13.3772 -2.33434 -13.3774 156.423 GPRESSURE: 302400 211.697 -78.8815 -28.036 -85.507 -78.1714 -12.7209 26.3867 16.7957 254.66 PRESSAVG: 302400 56.5517 -0.103768 -7.21625 -0.103653 -64.6239 0.0914682 -7.21619 0.091521 38.6838 GPRESSAVG: 302400 56.5465 -0.909743 -5.68696 -1.55012 -64.8143 1.43907 -8.80945 -0.775104 38.3326 TIMING: 302400 CPU: 894.418, 0.00293248/step Wall: 894.418, 0.00293248/step, 3.82657 hours remaining, 203.839844 MB of memory in use. ENERGY: 302400 760.8346 2157.1953 1980.8588 120.6729 -206393.0985 18178.2196 0.0000 0.0000 33905.9170 -149289.4003 296.1088 -183195.3172 -149193.7977 299.3507 92.8924 129.3955 558705.7639 10.2039 10.0216 PRESSURE: 302600 -82.4197 -270.548 -156.835 -270.549 -186.978 -7.77044 -156.834 -7.7706 -31.0799 GPRESSURE: 302600 -58.7398 -198.611 -190.819 -326.35 -152.791 37.5343 -139.497 -70.6853 -4.61074 PRESSAVG: 302600 40.0741 -39.5126 -33.3839 -39.5127 -54.5891 5.6024 -33.3839 5.60233 48.2687 GPRESSAVG: 302600 39.0323 -35.9722 -32.9016 -39.1246 -53.5219 5.23499 -34.5549 6.47768 47.8696 TIMING: 302600 CPU: 895.01, 0.00296149/step Wall: 895.01, 0.00296149/step, 3.86426 hours remaining, 203.855469 MB of memory in use. ENERGY: 302600 768.1832 2138.8426 1968.8177 116.9246 -206178.1771 17653.9934 0.0000 0.0000 34219.5154 -149311.9001 298.8475 -183531.4156 -149220.8783 298.8706 -100.1591 -72.0472 557883.2579 11.2513 11.1267 PRESSURE: 302800 -126.631 -138.841 -84.2427 -138.841 -163.806 -136.671 -84.2433 -136.671 -48.1291 GPRESSURE: 302800 -84.8221 -45.331 -103.254 -145.706 -114.043 -99.9412 24.7335 -154.389 -41.1757 PRESSAVG: 302800 -26.951 -18.028 25.4378 -18.028 3.00059 -18.3048 25.4378 -18.3047 -38.7682 GPRESSAVG: 302800 -27.275 -20.5636 25.9507 -17.463 1.9416 -16.2651 25.8307 -18.3711 -37.342 TIMING: 302800 CPU: 895.603, 0.00296549/step Wall: 895.603, 0.00296549/step, 3.8693 hours remaining, 203.855469 MB of memory in use. ENERGY: 302800 778.9036 2126.8471 1966.3062 116.2821 -206496.5054 17811.0752 0.0000 0.0000 34523.3209 -149173.7703 301.5007 -183697.0912 -149072.4373 300.0795 -112.8552 -80.0136 557604.1726 -20.9062 -20.8918 PRESSURE: 303000 -218.237 -8.19172 19.0251 -8.191 -318.82 8.76566 19.0253 8.76623 -95.6733 GPRESSURE: 303000 -205.542 -15.7493 36.0245 -73.9392 -298.918 36.2955 31.0879 -29.3503 -29.9431 PRESSAVG: 303000 -1.26391 -2.59959 26.5483 -2.59951 -13.5812 -53.8622 26.5483 -53.8623 -13.1847 GPRESSAVG: 303000 0.185426 -2.93104 27.2025 -1.75302 -13.9202 -55.8794 25.571 -54.4859 -14.0552 TIMING: 303000 CPU: 896.201, 0.00298926/step Wall: 896.201, 0.00298926/step, 3.90016 hours remaining, 203.855469 MB of memory in use. ENERGY: 303000 775.4970 2143.7877 1953.5845 112.8507 -206026.4282 17611.8497 0.0000 0.0000 34191.6329 -149237.2256 298.6040 -183428.8586 -149131.1098 299.8393 -210.9103 -178.1344 559537.8179 -9.3433 -9.2633 PRESSURE: 303200 -30.3013 0.578844 14.5183 0.578382 -17.6987 -41.2541 14.5188 -41.2558 39.2546 GPRESSURE: 303200 -0.33375 -31.7947 -15.7797 -72.1665 -0.811618 -205.286 72.8916 22.1313 85.0391 PRESSAVG: 303200 -55.5924 7.49446 30.1932 7.49451 70.9402 -40.5076 30.1932 -40.5075 -32.9572 GPRESSAVG: 303200 -57.1301 8.41875 27.8899 7.11646 72.0951 -41.0306 31.2401 -40.2417 -32.2801 TIMING: 303200 CPU: 896.793, 0.0029578/step Wall: 896.793, 0.0029578/step, 3.85895 hours remaining, 203.855469 MB of memory in use. ENERGY: 303200 769.9730 2105.6840 1952.6664 105.6431 -206434.5159 18018.8587 0.0000 0.0000 34331.9175 -149149.7732 299.8292 -183481.6907 -149049.6642 299.2949 -2.9151 27.9646 557564.2016 -5.8698 -5.7717 PRESSURE: 303400 -182.167 -34.3471 -8.01099 -34.3475 -365.791 -101.12 -8.01137 -101.121 -86.0132 GPRESSURE: 303400 -166.669 -45.2388 -70.4465 -19.3221 -268.295 -45.1956 32.5082 -77.0609 -103.99 PRESSAVG: 303400 -23.6919 -36.9111 56.2326 -36.9111 -1.83701 -4.01471 56.2326 -4.01484 1.16234 GPRESSAVG: 303400 -23.8047 -35.833 57.1218 -37.5211 -1.44483 -3.34619 56.9645 -4.37335 0.193793 TIMING: 303400 CPU: 897.387, 0.00296929/step Wall: 897.387, 0.00296929/step, 3.87377 hours remaining, 203.855469 MB of memory in use. ENERGY: 303400 788.7774 2127.5094 1945.7831 123.9515 -205644.5321 17362.5037 0.0000 0.0000 34126.4051 -149169.6021 298.0344 -183296.0072 -149074.5320 299.3849 -211.3235 -179.6510 558393.4784 -8.1222 -8.3519 PRESSURE: 303600 27.7267 6.63769 -89.415 6.63828 17.9956 28.6792 -89.4164 28.6802 284.593 GPRESSURE: 303600 68.6265 38.9403 -66.342 12.0774 60.9682 64.9484 -134.127 38.1527 298.401 PRESSAVG: 303600 -1.99702 22.8535 27.243 22.8535 -48.3539 -19.407 27.2429 -19.407 38.0788 GPRESSAVG: 303600 -2.17744 22.5443 27.2813 24.9031 -48.8905 -18.2105 26.8903 -19.1711 38.4453 TIMING: 303600 CPU: 897.979, 0.00296362/step Wall: 897.979, 0.00296362/step, 3.86621 hours remaining, 203.855469 MB of memory in use. ENERGY: 303600 770.2946 2062.2269 1953.0576 108.3056 -206557.0611 17986.8099 0.0000 0.0000 34228.3996 -149447.9669 298.9251 -183676.3665 -149350.1344 299.1745 110.1052 142.6652 555927.3765 -4.0907 -4.2076 PRESSURE: 303800 -105.903 -13.5162 -19.1484 -13.5162 -70.4505 36.4264 -19.1482 36.4266 167.928 GPRESSURE: 303800 22.6314 -69.9989 34.3291 92.7332 -57.769 -48.3694 15.1418 39.6029 134.766 PRESSAVG: 303800 -4.33397 51.2727 38.7176 51.2727 3.79113 20.2653 38.7177 20.2653 18.3764 GPRESSAVG: 303800 -5.57694 51.5336 40.962 50.9312 4.65911 18.9054 37.0055 21.5822 18.5833 TIMING: 303800 CPU: 898.569, 0.00294758/step Wall: 898.569, 0.00294758/step, 3.84511 hours remaining, 203.855469 MB of memory in use. ENERGY: 303800 769.2102 2123.5806 1956.4740 119.1563 -206178.3080 17763.2445 0.0000 0.0000 34186.5748 -149260.0675 298.5599 -183446.6424 -149164.5080 298.9240 -2.8087 33.2096 556530.5257 5.9445 5.8885 PRESSURE: 304000 -222.847 60.282 50.9334 60.2814 129.242 -12.3075 50.934 -12.3068 -153.911 GPRESSURE: 304000 -193.204 50.8278 -46.7128 169.274 165.557 -45.7038 108.561 -61.3958 -119.265 PRESSAVG: 304000 15.495 30.3875 -19.21 30.3875 -72.9866 23.9457 -19.2101 23.9457 3.94816 GPRESSAVG: 304000 16.7062 30.5319 -20.0745 30.2635 -73.8945 25.5057 -18.2236 22.3398 3.1901 TIMING: 304000 CPU: 899.162, 0.00296617/step Wall: 899.162, 0.00296617/step, 3.8692 hours remaining, 203.855469 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: 304000 750.2491 2135.7042 1930.5470 106.4922 -206199.0438 17662.1781 0.0000 0.0000 34293.5558 -149320.3174 299.4942 -183613.8733 -149229.6328 299.0499 -82.5051 -48.9707 556981.5211 -17.8478 -17.9994 PRESSURE: 304200 -118.59 -92.5087 21.6699 -92.5084 -111.318 -85.6163 21.6706 -85.6175 -146.197 GPRESSURE: 304200 -92.9536 -57.2382 50.9239 -119.827 -61.9425 -94.2318 -88.7585 -90.9416 -121.867 PRESSAVG: 304200 -4.43033 -13.1661 38.8612 -13.1661 -11.7801 23.9943 38.8612 23.9943 24.6591 GPRESSAVG: 304200 -4.6411 -13.276 39.612 -15.0963 -11.6687 24.1201 37.4971 23.8257 24.3905 TIMING: 304200 CPU: 899.754, 0.00296046/step Wall: 899.754, 0.00296046/step, 3.86159 hours remaining, 203.855469 MB of memory in use. ENERGY: 304200 779.3440 2151.0334 1956.6557 108.1319 -205930.6924 17579.7390 0.0000 0.0000 34048.1168 -149307.6716 297.3507 -183355.7885 -149204.3995 298.9649 -125.3684 -92.2543 556958.2931 2.8162 2.6936 LDB: ============= START OF LOAD BALANCING ============== 903.182 LDB: ============== END OF LOAD BALANCING =============== 903.183 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 903.184 LDB: ============= START OF LOAD BALANCING ============== 903.482 LDB: Largest compute 4848 load 0.029594 is 25.1% of average load 0.117716 LDB: Average compute 0.001726 is 1.5% of average load 0.117716 LDB: TIME 903.484 LOAD: AVG 0.117716 MAX 0.198617 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.586 MB LDB: TIME 903.485 LOAD: AVG 0.117716 MAX 0.198617 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.785 MB LDB: TIME 903.485 LOAD: AVG 0.117716 MAX 0.198617 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.785 MB LDB: ============== END OF LOAD BALANCING =============== 903.487 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 903.491 PRESSURE: 304400 -17.1444 8.62989 -132.295 8.6308 -198.253 36.7586 -132.296 36.7589 63.2913 GPRESSURE: 304400 -33.7001 28.7583 -85.3263 -106.765 -129.591 60.0181 -159.775 17.3878 93.0208 PRESSAVG: 304400 47.1659 -7.84744 -2.52857 -7.84746 -40.8853 26.2067 -2.52862 26.2068 18.7599 GPRESSAVG: 304400 46.4216 -9.21653 -1.89399 -5.80869 -40.8748 27.0402 -3.20755 25.9804 18.8099 TIMING: 304400 CPU: 900.361, 0.00303441/step Wall: 900.361, 0.00303441/step, 3.95788 hours remaining, 204.871094 MB of memory in use. ENERGY: 304400 774.4190 2088.4074 1921.8938 114.1279 -206378.7824 17886.4693 0.0000 0.0000 34456.9414 -149136.5237 300.9210 -183593.4651 -149043.7414 300.0940 -50.7021 -23.4235 558388.9124 8.3468 8.1189 PRESSURE: 304600 -21.5385 52.949 89.7485 52.9472 -227.396 -134.542 89.7483 -134.539 -54.4425 GPRESSURE: 304600 37.114 55.8688 144.843 -10.8299 -231.916 -122.195 38.4974 -206.611 -20.2737 PRESSAVG: 304600 -7.0957 -0.134876 -33.4711 -0.134843 38.8796 14.9008 -33.471 14.9008 -55.8961 GPRESSAVG: 304600 -7.24458 -1.61068 -35.2822 -0.498721 38.3777 14.6414 -29.9922 14.6329 -54.7236 TIMING: 304600 CPU: 900.952, 0.00295164/step Wall: 900.952, 0.00295164/step, 3.84976 hours remaining, 205.199219 MB of memory in use. ENERGY: 304600 743.1778 2057.6462 1959.0753 119.1675 -206275.5929 17846.8569 0.0000 0.0000 34364.8385 -149184.8308 300.1167 -183549.6693 -149099.8117 299.4179 -101.1257 -71.6918 557688.7083 -8.0374 -7.8635 PRESSURE: 304800 283.217 -54.5904 -115.64 -54.5897 100.416 -184.221 -115.641 -184.223 223.112 GPRESSURE: 304800 285.915 -38.4781 -93.7676 -73.6435 157.191 -203.39 -205.039 -87.0808 251.793 PRESSAVG: 304800 6.33893 -3.07773 -39.9022 -3.07765 -27.6441 -25.0557 -39.9022 -25.0555 -14.5921 GPRESSAVG: 304800 6.9622 -0.472357 -38.9706 -4.45682 -25.8994 -26.6645 -42.5466 -23.6775 -16.8604 TIMING: 304800 CPU: 901.54, 0.00294419/step Wall: 901.54, 0.00294419/step, 3.83988 hours remaining, 205.199219 MB of memory in use. ENERGY: 304800 704.9016 2098.8797 1935.6586 114.1960 -206638.5620 18310.8594 0.0000 0.0000 34311.4062 -149162.6605 299.6500 -183474.0667 -149068.1501 299.7015 202.2484 231.6333 558564.4914 -11.9658 -11.9325 PRESSURE: 305000 -188.675 -80.3879 -7.8916 -80.3874 129.835 -82.418 -7.89227 -82.4188 -214.344 GPRESSURE: 305000 -135.326 -26.1619 4.04508 -84.0356 87.4903 -111.595 33.3842 -66.0614 -120.745 PRESSAVG: 305000 7.58872 20.887 -7.27088 20.887 -18.4606 -0.670136 -7.27088 -0.670154 28.5466 GPRESSAVG: 305000 9.02471 20.6988 -7.24104 20.6841 -20.3711 0.117374 -6.29643 -0.61782 29.052 TIMING: 305000 CPU: 902.132, 0.00295678/step Wall: 902.132, 0.00295678/step, 3.85614 hours remaining, 205.199219 MB of memory in use. ENERGY: 305000 744.1534 2092.5463 1949.4279 124.8613 -206376.1386 18021.1186 0.0000 0.0000 34292.1563 -149151.8748 299.4819 -183444.0311 -149054.7428 299.4838 -91.0616 -56.1935 559118.3879 5.8915 5.9019 PRESSURE: 305200 -81.7309 70.6864 117.711 70.687 20.7567 -41.2547 117.711 -41.2544 -100.968 GPRESSURE: 305200 -55.4709 60.394 101.214 134.659 30.9115 52.7757 36.9787 -148.174 -45.6383 PRESSAVG: 305200 -41.6445 10.01 -24.5652 10.01 -0.275803 -39.172 -24.5652 -39.172 -19.4776 GPRESSAVG: 305200 -42.5379 7.95205 -25.9178 10.5712 -0.536551 -38.668 -25.3499 -40.6561 -18.2527 TIMING: 305200 CPU: 902.722, 0.00295175/step Wall: 902.722, 0.00295175/step, 3.84941 hours remaining, 205.253906 MB of memory in use. ENERGY: 305200 760.7419 2036.3318 1909.9128 109.0079 -206294.8393 17780.4586 0.0000 0.0000 34416.2693 -149282.1170 300.5658 -183698.3863 -149189.2710 299.3433 -53.9808 -23.3992 557393.2830 -20.4660 -20.4424 PRESSURE: 305400 -62.3077 70.8148 78.5896 70.815 -176.17 -76.3114 78.5903 -76.3088 65.8942 GPRESSURE: 305400 -9.84694 8.65987 84.4804 91.3599 -136.052 -88.8788 17.9535 -98.2958 73.0427 PRESSAVG: 305400 -49.6018 0.855989 12.4634 0.856036 -14.6688 -39.3295 12.4634 -39.3294 55.2084 GPRESSAVG: 305400 -49.2638 1.07355 12.7834 2.05597 -13.9987 -39.8514 12.9882 -37.3157 54.5352 TIMING: 305400 CPU: 903.31, 0.00293938/step Wall: 903.31, 0.00293938/step, 3.83311 hours remaining, 205.253906 MB of memory in use. ENERGY: 305400 725.5638 2033.7390 1959.9814 111.4272 -206205.3366 17787.5616 0.0000 0.0000 34211.6142 -149375.4494 298.7785 -183587.0636 -149279.4415 299.1424 -57.5277 -24.2854 557181.2516 -3.0207 -2.9091 PRESSURE: 305600 113.023 -72.5133 -113.486 -72.5141 -124.019 23.594 -113.487 23.5941 -167.253 GPRESSURE: 305600 148.368 -90.4811 -107.182 5.96538 -47.7679 96.7898 -44.3917 -34.4744 -197.579 PRESSAVG: 305600 21.9846 -14.3603 63.5345 -14.3603 17.6405 76.8343 63.5345 76.8342 -42.2176 GPRESSAVG: 305600 20.3912 -12.5666 64.199 -14.9116 19.9576 76.9999 62.9051 74.5533 -43.1423 TIMING: 305600 CPU: 903.895, 0.00292749/step Wall: 903.895, 0.00292749/step, 3.81745 hours remaining, 205.253906 MB of memory in use. ENERGY: 305600 779.2121 2046.9820 1897.4170 116.5448 -206332.8676 17972.7588 0.0000 0.0000 34206.8863 -149313.0666 298.7372 -183519.9529 -149222.8528 298.7248 -59.4163 -32.3262 558458.1404 -0.8642 -0.9312 PRESSURE: 305800 140.596 60.4033 -8.58651 60.4047 -206.389 -73.8753 -8.586 -73.8756 -12.1589 GPRESSURE: 305800 201.971 27.7403 43.7897 -1.83904 -161.844 -61.5946 -60.681 -58.8329 -23.0381 PRESSAVG: 305800 22.8363 35.8423 57.6559 35.8424 10.1973 30.1299 57.656 30.1299 -28.5079 GPRESSAVG: 305800 24.6477 32.9201 57.3169 37.1368 8.38724 28.793 59.0894 32.3186 -28.3583 TIMING: 305800 CPU: 904.484, 0.00294332/step Wall: 904.484, 0.00294332/step, 3.83793 hours remaining, 205.253906 MB of memory in use. ENERGY: 305800 751.8434 2021.7541 1948.2969 121.9411 -205954.9816 17765.0234 0.0000 0.0000 33967.5932 -149378.5296 296.6474 -183346.1228 -149276.3341 298.4098 -25.9839 5.6965 557257.5405 1.5086 1.5589 PRESSURE: 306000 -215.75 -97.6498 8.66549 -97.6503 -100.475 -2.47333 8.66575 -2.47391 -328.2 GPRESSURE: 306000 -220.92 -84.4901 50.7166 -56.2538 -64.8913 -73.7575 19.4297 15.558 -263.311 PRESSAVG: 306000 18.5347 34.1552 23.6658 34.1552 -3.36211 13.4171 23.6658 13.4171 -24.7893 GPRESSAVG: 306000 16.8298 35.2606 24.1808 33.5237 -2.54676 14.6823 22.5372 9.70662 -23.9628 TIMING: 306000 CPU: 905.072, 0.00293863/step Wall: 905.072, 0.00293863/step, 3.83164 hours remaining, 205.253906 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: 306000 755.9992 2066.7763 1961.9106 120.7611 -206000.0619 17446.3665 0.0000 0.0000 34231.3367 -149416.9116 298.9508 -183648.2483 -149319.7341 299.1147 -214.8082 -183.0405 556800.3359 -3.2056 -3.2266 PRESSURE: 306200 7.72828 23.4578 106.666 23.4588 142.124 -159.803 106.666 -159.802 256.24 GPRESSURE: 306200 25.2759 -1.43073 179.299 -70.4028 172.127 -89.899 119.196 -141.174 303.394 PRESSAVG: 306200 -37.4118 -23.9697 35.4171 -23.9696 -0.507277 -53.4814 35.4171 -53.4815 2.01832 GPRESSAVG: 306200 -35.6334 -22.308 34.4336 -24.4116 -0.692826 -52.6555 35.2189 -51.8191 0.39732 TIMING: 306200 CPU: 905.662, 0.0029503/step Wall: 905.662, 0.0029503/step, 3.8467 hours remaining, 205.253906 MB of memory in use. ENERGY: 306200 718.6767 2083.9702 1938.5000 110.2239 -206499.5358 17923.8434 0.0000 0.0000 34355.0247 -149369.2970 300.0310 -183724.3217 -149271.7136 298.8172 135.3641 166.9322 556136.7256 -11.9669 -11.9763 PRESSURE: 306400 328.957 97.8261 111.429 97.827 14.6251 25.3591 111.428 25.3586 238.215 GPRESSURE: 306400 343.202 19.4912 36.4266 173.822 53.9635 18.4656 178.602 147.779 280.738 PRESSAVG: 306400 19.9951 -48.335 40.0655 -48.335 29.8655 -21.7526 40.0656 -21.7526 -8.79995 GPRESSAVG: 306400 19.5055 -49.6254 42.1655 -47.9034 29.161 -23.5867 39.782 -20.9783 -7.87226 TIMING: 306400 CPU: 906.251, 0.00294371/step Wall: 906.251, 0.00294371/step, 3.83794 hours remaining, 205.253906 MB of memory in use. ENERGY: 306400 733.5620 2016.6581 1966.0230 114.1251 -206631.6517 17866.4863 0.0000 0.0000 34452.7239 -149482.0733 300.8842 -183934.7972 -149383.0978 299.2574 193.9321 225.9679 556062.3499 13.6869 13.5981 PRESSURE: 306600 -13.8149 87.8469 -67.8329 87.8465 27.3758 -105.328 -67.8342 -105.329 -11.8943 GPRESSURE: 306600 62.174 99.8472 -92.4355 43.3555 -4.74777 -78.5032 -83.7797 -143.581 28.1728 PRESSAVG: 306600 19.0852 -4.88355 -44.2716 -4.88353 -18.3068 -23.4489 -44.2717 -23.4489 -3.71034 GPRESSAVG: 306600 19.6968 -5.82039 -45.4536 -4.83325 -19.2805 -22.4659 -44.7903 -24.3687 -3.54624 TIMING: 306600 CPU: 906.837, 0.00293191/step Wall: 906.837, 0.00293191/step, 3.82239 hours remaining, 205.253906 MB of memory in use. ENERGY: 306600 727.7659 2119.2959 1935.5476 120.5295 -206256.1926 17665.2636 0.0000 0.0000 34124.1475 -149563.6427 298.0147 -183687.7901 -149471.3924 298.5454 0.5555 28.5330 555937.5366 -0.9773 -1.0433 PRESSURE: 306800 -10.2192 34.0673 11.8695 34.0674 -186.579 114.419 11.8695 114.42 -141.023 GPRESSURE: 306800 16.49 82.9553 -51.1222 66.7385 -174.001 77.2846 113.843 169.66 -82.9892 PRESSAVG: 306800 -41.3316 40.9577 24.9667 40.9578 -34.4311 42.6044 24.9667 42.6045 82.7915 GPRESSAVG: 306800 -42.0597 41.9204 23.5991 42.0157 -33.226 43.694 25.3573 41.4295 83.2916 TIMING: 306800 CPU: 907.423, 0.0029292/step Wall: 907.423, 0.0029292/step, 3.8187 hours remaining, 205.253906 MB of memory in use. ENERGY: 306800 724.1751 2126.0407 1929.5124 115.0579 -206209.3431 17706.0423 0.0000 0.0000 34156.8010 -149451.7136 298.2998 -183608.5146 -149362.3894 299.6108 -112.6071 -80.1668 558259.4892 2.3429 2.6686 PRESSURE: 307000 -77.2054 18.5421 -34.287 18.5425 -141.971 73.6141 -34.2872 73.6141 -219.762 GPRESSURE: 307000 -84.2497 -32.9653 -5.70626 15.4583 -82.858 25.1251 -86.1474 130.812 -188.464 PRESSAVG: 307000 6.49486 9.24563 -63.098 9.24561 -36.693 48.9438 -63.0981 48.9439 75.1753 GPRESSAVG: 307000 7.1171 10.158 -62.8805 7.3459 -36.7744 44.8995 -63.6743 49.9118 74.2757 TIMING: 307000 CPU: 908.007, 0.00292258/step Wall: 908.007, 0.00292258/step, 3.8099 hours remaining, 205.253906 MB of memory in use. ENERGY: 307000 746.0901 2087.1998 1939.6177 115.0282 -205901.2681 17556.0426 0.0000 0.0000 34063.5244 -149393.7654 297.4852 -183457.2898 -149296.4226 298.6018 -146.3127 -118.5239 557398.9799 14.9924 14.8728 PRESSURE: 307200 -204.982 61.3833 -136.974 61.3852 -83.0026 -280.666 -136.975 -280.667 -179.144 GPRESSURE: 307200 -132.55 97.1196 -143.518 -42.2609 -50.4244 -255.54 -197.585 -319.976 -207.264 PRESSAVG: 307200 -2.82742 7.4805 39.3153 7.48046 -35.3505 -60.0737 39.3153 -60.0737 30.2439 GPRESSAVG: 307200 -3.01438 6.37671 41.9099 9.49481 -35.579 -57.7073 37.8217 -60.1018 29.9245 TIMING: 307200 CPU: 908.593, 0.00293056/step Wall: 908.593, 0.00293056/step, 3.82015 hours remaining, 205.253906 MB of memory in use. ENERGY: 307200 771.2810 2102.6957 1972.6709 112.1580 -206099.4262 17606.9397 0.0000 0.0000 34174.4221 -149359.2588 298.4537 -183533.6809 -149263.6732 298.8537 -155.7094 -130.0796 558157.6427 -2.6447 -2.8896 PRESSURE: 307400 -212.717 155.736 107.492 155.737 7.5724 0.475304 107.492 0.472717 -56.9486 GPRESSURE: 307400 -222.157 143.89 62.291 104.643 44.8558 -63.847 43.1621 47.2876 -3.27722 PRESSAVG: 307400 -5.80465 -8.45732 42.723 -8.45735 73.6707 -15.1572 42.7232 -15.1571 -62.0318 GPRESSAVG: 307400 -6.61237 -7.95405 41.0641 -9.31931 73.4737 -14.9572 45.0045 -13.7434 -60.9652 TIMING: 307400 CPU: 909.182, 0.00294092/step Wall: 909.182, 0.00294092/step, 3.83349 hours remaining, 205.253906 MB of memory in use. ENERGY: 307400 731.4654 2132.0629 1958.4743 108.2290 -206311.7495 17628.9517 0.0000 0.0000 34276.8787 -149475.6875 299.3485 -183752.5662 -149374.8045 298.9494 -87.3644 -60.1928 557565.7817 1.9448 1.9654 PRESSURE: 307600 -137.93 -158.864 201.357 -158.864 -50.7906 -16.0999 201.357 -16.0988 -198.165 GPRESSURE: 307600 -84.0687 -118.303 166.981 -146.191 14.2483 1.31252 187.651 -13.5283 -219.995 PRESSAVG: 307600 3.1608 -47.3552 -11.3323 -47.3552 33.4091 -35.1252 -11.3324 -35.1251 -19.1068 GPRESSAVG: 307600 3.56167 -49.1442 -10.8446 -46.3624 34.3586 -36.0718 -12.231 -34.2463 -20.4788 TIMING: 307600 CPU: 909.77, 0.00294339/step Wall: 909.77, 0.00294339/step, 3.83654 hours remaining, 205.253906 MB of memory in use. ENERGY: 307600 776.1321 2107.5094 1945.2104 113.8856 -206622.6289 17994.8180 0.0000 0.0000 34293.8807 -149391.1927 299.4970 -183685.0734 -149298.6478 298.8763 -128.9620 -96.6051 559039.3130 5.8210 5.8138 PRESSURE: 307800 -76.9302 221.134 -124.564 221.133 71.5237 -173.591 -124.565 -173.592 180.221 GPRESSURE: 307800 -27.8919 262.575 -54.4709 112.583 66.0475 -207.703 -132.972 -175.863 232.528 PRESSAVG: 307800 32.8822 -39.5265 -2.0414 -39.5265 6.10095 -16.4686 -2.04141 -16.4685 -18.3792 GPRESSAVG: 307800 33.4472 -38.2025 -2.43658 -40.0449 5.67983 -17.3962 -3.3337 -16.356 -17.7992 TIMING: 307800 CPU: 910.356, 0.00292965/step Wall: 910.356, 0.00292965/step, 3.81847 hours remaining, 205.253906 MB of memory in use. ENERGY: 307800 724.7913 2038.2246 1933.2307 96.7072 -206255.4122 17869.4476 0.0000 0.0000 34075.2947 -149517.7160 297.5880 -183593.0108 -149416.5527 298.4940 58.2717 90.2278 558811.2535 6.8680 7.1093 PRESSURE: 308000 137.249 -5.02519 -130.334 -5.02549 -143.114 -41.1496 -130.334 -41.1509 25.6345 GPRESSURE: 308000 201.254 -59.5283 -83.5992 58.3254 -125.671 -49.4538 -155.676 -87.6877 38.8586 PRESSAVG: 308000 -31.4287 -1.1573 -3.02403 -1.15733 16.1265 -18.2581 -3.02403 -18.2581 33.7736 GPRESSAVG: 308000 -31.4702 -2.82033 -1.53474 -0.590464 16.4739 -13.8356 -3.21553 -22.95 33.5604 TIMING: 308000 CPU: 910.949, 0.00296515/step Wall: 910.949, 0.00296515/step, 3.86458 hours remaining, 205.253906 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: 308000 769.6781 2037.3179 1947.1592 108.6647 -206340.5861 17906.9239 0.0000 0.0000 34189.9475 -149380.8947 298.5893 -183570.8422 -149279.7198 298.2673 6.5897 38.1472 558225.3861 6.1571 6.1880 PRESSURE: 308200 3.23487 -25.3008 -11.0735 -25.3021 -289.243 89.2616 -11.0743 89.2616 -310.154 GPRESSURE: 308200 28.2329 14.5842 -4.92208 31.1074 -256.166 99.8944 -77.7361 98.9277 -267.31 PRESSAVG: 308200 -40.2017 -2.82345 20.9494 -2.82349 24.1939 -82.6284 20.9494 -82.6284 -18.8408 GPRESSAVG: 308200 -40.8991 -4.29118 19.0434 -3.07908 24.1488 -85.0456 22.8362 -79.988 -18.2308 TIMING: 308200 CPU: 911.544, 0.00297439/step Wall: 911.544, 0.00297439/step, 3.87645 hours remaining, 205.253906 MB of memory in use. ENERGY: 308200 735.5041 2144.6247 1923.2120 116.3078 -206468.7550 17777.4153 0.0000 0.0000 34466.0726 -149305.6186 301.0008 -183771.6911 -149205.5183 298.9240 -198.7206 -165.0808 560276.1207 -11.6162 -11.6604 LDB: ============= START OF LOAD BALANCING ============== 914.971 LDB: ============== END OF LOAD BALANCING =============== 914.971 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 914.973 LDB: ============= START OF LOAD BALANCING ============== 915.272 LDB: Largest compute 4848 load 0.029728 is 25.3% of average load 0.117725 LDB: Average compute 0.001731 is 1.5% of average load 0.117725 LDB: TIME 915.274 LOAD: AVG 0.117725 MAX 0.199834 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.113 MB LDB: TIME 915.275 LOAD: AVG 0.117725 MAX 0.199834 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.141 MB LDB: TIME 915.275 LOAD: AVG 0.117725 MAX 0.199834 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 915.277 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 915.281 PRESSURE: 308400 -184.38 8.27993 -127.751 8.28025 -181.409 50.4941 -127.752 50.4954 64.0484 GPRESSURE: 308400 -132.468 -2.09202 -124.029 60.4882 -156.555 60.1331 -175.412 8.22559 77.4844 PRESSAVG: 308400 -25.3042 -6.80666 -27.0602 -6.80669 -65.5158 2.90941 -27.0601 2.90939 69.6593 GPRESSAVG: 308400 -26.254 -3.98411 -24.8439 -7.44204 -64.4692 3.69262 -26.9416 2.34862 69.8441 TIMING: 308400 CPU: 912.151, 0.00303392/step Wall: 912.151, 0.00303392/step, 3.95387 hours remaining, 204.292969 MB of memory in use. ENERGY: 308400 746.9480 2097.1971 1947.0767 114.3150 -206066.0309 17735.2254 0.0000 0.0000 34241.0681 -149184.2005 299.0358 -183425.2686 -149090.8549 298.9064 -100.5803 -70.5130 558506.5143 -7.0536 -6.9597 PRESSURE: 308600 -303.526 -85.8744 145.867 -85.8738 -299.118 101.252 145.868 101.253 -22.2583 GPRESSURE: 308600 -239.046 -114.702 123.345 -47.1348 -249.089 82.1398 110.045 38.3532 -36.8551 PRESSAVG: 308600 -10.0912 -41.74 21.2649 -41.7402 -26.19 -7.2842 21.2648 -7.28417 38.1582 GPRESSAVG: 308600 -8.91895 -43.3212 21.3654 -40.8535 -26.7812 -7.96962 20.651 -5.96329 37.9037 TIMING: 308600 CPU: 912.738, 0.00293326/step Wall: 912.738, 0.00293326/step, 3.82252 hours remaining, 204.363281 MB of memory in use. ENERGY: 308600 761.9543 2061.0491 1969.3493 108.9092 -205713.9240 17518.5569 0.0000 0.0000 34085.6937 -149208.4116 297.6788 -183294.1053 -149117.2053 299.1669 -208.3010 -174.9966 559118.5468 0.6257 0.7345 PRESSURE: 308800 -116.26 -147.79 52.5544 -147.789 -138.69 -2.31451 52.5547 -2.31449 -0.996965 GPRESSURE: 308800 -96.5348 -86.8205 70.9482 -180.919 -126.264 -13.2657 9.06561 43.8048 64.3792 PRESSAVG: 308800 28.0242 -72.9419 34.3411 -72.9419 -140.227 -18.5113 34.3412 -18.5113 85.387 GPRESSAVG: 308800 29.2194 -72.6144 33.2273 -72.7329 -139.993 -18.7064 34.6279 -18.8492 83.7676 TIMING: 308800 CPU: 913.328, 0.00295283/step Wall: 913.328, 0.00295283/step, 3.84786 hours remaining, 204.363281 MB of memory in use. ENERGY: 308800 738.1508 2107.7447 1927.4460 103.2115 -206156.0435 17747.2372 0.0000 0.0000 34379.1282 -149153.1252 300.2415 -183532.2534 -149058.6394 299.4647 -85.3154 -52.8066 559189.0450 -8.9386 -9.0022 PRESSURE: 309000 -95.9147 38.2432 -17.4663 38.2445 -107.145 84.0392 -17.4667 84.0401 -47.0374 GPRESSURE: 309000 -59.513 27.6909 -90.967 -6.0037 -36.7108 30.5906 34.0095 100.172 -59.1744 PRESSAVG: 309000 -37.751 -0.256659 9.21861 -0.256674 -14.9116 25.3416 9.21859 25.3416 61.3597 GPRESSAVG: 309000 -37.5622 1.27026 7.2197 -1.85744 -15.0353 26.5731 9.93001 24.6195 61.7895 TIMING: 309000 CPU: 913.925, 0.00298357/step Wall: 913.925, 0.00298357/step, 3.88776 hours remaining, 204.363281 MB of memory in use. ENERGY: 309000 742.5636 2091.3196 1933.7689 103.9625 -205677.2857 17566.8835 0.0000 0.0000 34153.1379 -149085.6497 298.2678 -183238.7876 -148987.8759 299.0593 -83.3658 -51.7994 558784.0941 2.8990 3.0640 PRESSURE: 309200 -120.205 -63.9563 47.8457 -63.9563 74.1624 116.728 47.8454 116.725 45.8595 GPRESSURE: 309200 -105.613 -111.529 59.4056 43.8586 68.5434 161.641 -26.4699 20.6642 131.136 PRESSAVG: 309200 -4.63367 16.9726 21.8607 16.9726 21.4086 0.445749 21.8606 0.445816 -6.10612 GPRESSAVG: 309200 -6.15292 14.8034 22.0322 18.9934 22.9357 -0.157294 21.1259 0.145852 -5.70468 TIMING: 309200 CPU: 914.516, 0.00295307/step Wall: 914.516, 0.00295307/step, 3.84785 hours remaining, 204.363281 MB of memory in use. ENERGY: 309200 728.7975 2120.0992 1938.1668 107.5743 -206108.0047 17647.5364 0.0000 0.0000 34463.9056 -149101.9250 300.9819 -183565.8306 -149000.8086 299.7906 -0.0611 31.3555 557076.0962 3.5563 3.6927 PRESSURE: 309400 -316.371 -17.7945 -122.521 -17.7952 -310.256 -57.8361 -122.52 -57.8351 -271.46 GPRESSURE: 309400 -272.456 9.22813 -153.681 -3.37808 -252.99 -161.961 -145.977 6.55396 -276.362 PRESSAVG: 309400 2.0397 2.8314 11.6253 2.83145 -18.2131 -26.4865 11.6254 -26.4865 -18.968 GPRESSAVG: 309400 2.4922 3.81441 13.7166 3.08451 -18.4543 -26.9228 11.5794 -25.5956 -19.722 TIMING: 309400 CPU: 915.102, 0.0029338/step Wall: 915.102, 0.0029338/step, 3.82257 hours remaining, 204.363281 MB of memory in use. ENERGY: 309400 742.9416 2086.9175 1925.1303 107.5055 -205857.1915 17462.2470 0.0000 0.0000 34434.3686 -149098.0812 300.7239 -183532.4497 -148998.6828 299.9131 -299.3625 -267.2691 558924.2428 -11.7138 -11.8947 PRESSURE: 309600 37.2416 -81.0609 -55.4965 -81.0616 -66.0597 -52.4909 -55.4965 -52.4917 -247.004 GPRESSURE: 309600 47.3827 -76.3468 -24.3043 -36.4119 12.7219 -152.284 -139.349 -34.0662 -225.339 PRESSAVG: 309600 68.0594 -17.3001 -35.6083 -17.3001 -8.90808 -21.3495 -35.6083 -21.3494 -36.9609 GPRESSAVG: 309600 68.752 -18.2811 -34.5398 -18.0017 -9.63544 -23.4073 -35.654 -22.3319 -36.3807 TIMING: 309600 CPU: 915.688, 0.00293044/step Wall: 915.688, 0.00293044/step, 3.81804 hours remaining, 204.363281 MB of memory in use. ENERGY: 309600 775.5356 2109.9048 1944.1501 107.7983 -206228.3435 17939.6868 0.0000 0.0000 34211.5194 -149139.7484 298.7777 -183351.2678 -149048.3646 299.5885 -91.9406 -55.0780 557492.3166 7.3968 7.5786 PRESSURE: 309800 -166.09 -94.6421 -34.1858 -94.6419 -83.4967 -14.9168 -34.1857 -14.9157 -132.933 GPRESSURE: 309800 -120.478 -93.1726 24.1875 -95.1413 -103.994 -23.5303 -1.86453 -30.1086 -69.3609 PRESSAVG: 309800 -26.8772 -35.4764 14.6769 -35.4764 14.4463 30.4535 14.677 30.4536 -16.0149 GPRESSAVG: 309800 -27.9757 -35.148 12.7156 -35.3283 13.6455 30.0207 14.7715 31.0047 -14.2032 TIMING: 309800 CPU: 916.278, 0.00294763/step Wall: 916.278, 0.00294763/step, 3.84027 hours remaining, 204.363281 MB of memory in use. ENERGY: 309800 754.3219 2109.9900 1987.2231 116.8406 -205888.6103 17666.6387 0.0000 0.0000 34091.0289 -149162.5670 297.7254 -183253.5959 -149062.7551 298.8937 -127.5067 -97.9444 557544.7021 -9.4819 -9.5111 PRESSURE: 310000 121.961 -54.9276 135.215 -54.9277 373.58 -76.2567 135.212 -76.2561 147.39 GPRESSURE: 310000 145.3 -13.0103 198.451 -67.0247 394.798 -32.8903 70.0944 -46.1837 206.774 PRESSAVG: 310000 19.9177 -10.4619 15.7288 -10.4619 -49.1824 -0.683919 15.7287 -0.683918 20.7248 GPRESSAVG: 310000 20.7282 -10.2654 16.4907 -11.3058 -49.2167 0.0716789 16.845 1.03176 19.7983 TIMING: 310000 CPU: 916.865, 0.00293632/step Wall: 916.865, 0.00293632/step, 3.82537 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: 310000 737.2810 2053.4327 1950.5376 103.5624 -206317.6102 18155.9432 0.0000 0.0000 34158.7658 -149158.0874 298.3170 -183316.8532 -149064.0580 298.6877 214.3103 248.9576 557713.0558 -2.8466 -2.8967 PRESSURE: 310200 9.18968 35.1098 1.8652 35.1093 106.871 -128.793 1.86462 -128.792 -34.7881 GPRESSURE: 310200 80.821 -32.1209 42.0625 -2.26628 80.2841 -120.369 26.4195 -150.023 23.1304 PRESSAVG: 310200 10.3803 55.5188 -7.0724 55.5187 2.87401 2.51827 -7.07242 2.51837 -4.52418 GPRESSAVG: 310200 11.2066 56.1403 -7.67965 56.8528 3.046 6.06525 -6.64274 -1.63418 -5.6829 TIMING: 310200 CPU: 917.454, 0.00294224/step Wall: 917.454, 0.00294224/step, 3.83292 hours remaining, 204.363281 MB of memory in use. ENERGY: 310200 764.8520 2027.4499 1963.6358 106.8129 -206202.6588 17793.5301 0.0000 0.0000 34387.0097 -149159.3683 300.3103 -183546.3780 -149062.5756 298.7386 27.0908 61.4118 556754.2319 2.9100 2.8566 PRESSURE: 310400 -167.434 150.719 61.0546 150.718 -116.077 143.05 61.0548 143.049 66.9455 GPRESSURE: 310400 -165.371 109.102 78.1688 170.837 -35.4112 116.041 31.4957 208.415 91.5888 PRESSAVG: 310400 -53.881 2.40977 -40.9855 2.40972 38.2278 3.21582 -40.9854 3.2158 -16.4007 GPRESSAVG: 310400 -54.2236 3.23901 -40.8884 1.56263 39.2471 -0.799486 -42.0801 6.59788 -16.9815 TIMING: 310400 CPU: 918.04, 0.00293031/step Wall: 918.04, 0.00293031/step, 3.81722 hours remaining, 204.363281 MB of memory in use. ENERGY: 310400 748.4753 2070.7066 1976.1754 123.0864 -206146.7551 17714.2712 0.0000 0.0000 34504.6408 -149009.3994 301.3376 -183514.0402 -148918.7884 299.0889 -72.1884 -36.3977 558854.7336 -10.6847 -10.6527 PRESSURE: 310600 21.3519 -140.111 25.3155 -140.111 -144.13 148.771 25.3148 148.771 182.784 GPRESSURE: 310600 107.683 -171.585 -8.52462 -56.0775 -137.994 101.054 31.9712 174.603 195.897 PRESSAVG: 310600 5.81021 -4.25634 34.8648 -4.25644 31.7727 3.99647 34.8648 3.99645 -17.357 GPRESSAVG: 310600 4.93255 -4.35615 34.7483 -5.00092 31.1902 5.77306 35.9178 2.53676 -15.9851 TIMING: 310600 CPU: 918.633, 0.00296458/step Wall: 918.633, 0.00296458/step, 3.8617 hours remaining, 204.363281 MB of memory in use. ENERGY: 310600 738.1785 2078.8169 1966.0209 115.4806 -206419.4815 18062.5245 0.0000 0.0000 34460.4627 -148997.9975 300.9518 -183458.4602 -148900.9830 299.9700 20.0020 55.1950 558830.6962 6.7420 6.7126 PRESSURE: 310800 -30.5337 37.7952 40.6953 37.7937 -112.843 9.45973 40.6954 9.45895 110.53 GPRESSURE: 310800 77.1896 9.01633 69.056 62.7507 -62.7548 -75.7821 58.5494 26.9674 39.0437 PRESSAVG: 310800 -14.3424 23.4939 -10.1642 23.4939 31.9741 -0.483816 -10.1643 -0.483885 -31.9254 GPRESSAVG: 310800 -13.4399 23.7367 -9.56992 24.6901 31.591 -0.972092 -11.5221 0.806199 -32.415 TIMING: 310800 CPU: 919.223, 0.00295413/step Wall: 919.223, 0.00295413/step, 3.84791 hours remaining, 204.363281 MB of memory in use. ENERGY: 310800 725.6222 2087.0187 1917.4884 121.3335 -205825.9207 17764.5409 0.0000 0.0000 34446.3080 -148763.6091 300.8282 -183209.9171 -148661.1060 299.4136 -10.9486 17.8262 559254.0774 -4.7646 -4.7546 PRESSURE: 311000 188.221 15.8834 -76.6137 15.8836 123.925 -51.3264 -76.6119 -51.3262 71.1845 GPRESSURE: 311000 208.697 -21.7941 -77.1543 -26.4726 194.149 -115.313 -88.3563 14.0582 79.8538 PRESSAVG: 311000 -31.0155 26.7102 -38.9046 26.7103 15.6629 -15.0892 -38.9046 -15.0892 67.999 GPRESSAVG: 311000 -31.184 26.3572 -40.1844 26.866 15.6267 -15.1646 -37.3054 -16.5975 68.5069 TIMING: 311000 CPU: 919.814, 0.00295126/step Wall: 919.814, 0.00295126/step, 3.84401 hours remaining, 204.363281 MB of memory in use. ENERGY: 311000 723.4437 2121.4951 1959.9474 136.0322 -206217.8967 17924.0743 0.0000 0.0000 34650.9752 -148701.9288 302.6156 -183352.9040 -148606.0682 300.3398 127.7771 160.8999 557206.3833 17.5488 17.6499 PRESSURE: 311200 125.824 101.564 -7.29114 101.564 306.073 167.896 -7.29054 167.896 -9.59511 GPRESSURE: 311200 178.681 73.5365 -35.603 156.469 296.074 186.435 -21.339 68.7204 33.362 PRESSAVG: 311200 23.9516 32.0951 105.553 32.0951 -28.2552 42.4674 105.553 42.4674 -19.5012 GPRESSAVG: 311200 23.7855 31.1261 106.613 30.7315 -28.561 44.965 105.788 40.3847 -18.7026 TIMING: 311200 CPU: 920.403, 0.00294459/step Wall: 920.403, 0.00294459/step, 3.83516 hours remaining, 204.363281 MB of memory in use. ENERGY: 311200 782.7659 2131.4527 1949.3924 106.6117 -205960.9600 17918.5317 0.0000 0.0000 34456.3437 -148615.8620 300.9158 -183072.2057 -148526.2292 300.1271 140.7675 169.3724 557038.4829 -7.9349 -7.8260 PRESSURE: 311400 -37.4798 116.274 26.5447 116.274 -43.6324 73.9085 26.5452 73.909 -166.904 GPRESSURE: 311400 22.0121 38.1592 -34.5348 95.2036 -52.2427 22.6088 37.4217 120.192 -119.129 PRESSAVG: 311400 29.1357 1.26084 7.00652 1.26079 -3.62961 56.1073 7.00654 56.1072 -50.3437 GPRESSAVG: 311400 29.4503 2.318 6.00024 1.24858 -2.93693 56.0433 6.74095 56.8025 -51.2997 TIMING: 311400 CPU: 920.991, 0.00294032/step Wall: 920.991, 0.00294032/step, 3.82944 hours remaining, 204.363281 MB of memory in use. ENERGY: 311400 743.4400 2148.5920 1954.1286 121.2212 -205856.2714 17593.1551 0.0000 0.0000 34578.1461 -148717.5886 301.9795 -183295.7347 -148625.6866 301.0187 -82.6720 -49.7866 557837.6870 -8.2792 -8.2621 PRESSURE: 311600 -282.4 -44.2238 -84.8751 -44.2242 -144.696 -36.1204 -84.8753 -36.1199 -470.143 GPRESSURE: 311600 -254.73 -38.0689 -119.728 -11.6435 -123.149 -123.681 -73.9538 -87.8096 -432.087 PRESSAVG: 311600 -59.7224 11.5508 24.6792 11.5509 74.2015 9.12826 24.6791 9.12825 -22.0625 GPRESSAVG: 311600 -59.4706 10.3014 24.3307 10.2909 75.3695 7.23823 24.9278 10.9686 -22.9491 TIMING: 311600 CPU: 921.582, 0.00295794/step Wall: 921.582, 0.00295794/step, 3.85222 hours remaining, 204.363281 MB of memory in use. ENERGY: 311600 747.2675 2151.3131 1949.5241 115.0591 -205188.6856 17216.9146 0.0000 0.0000 34368.8161 -148639.7911 300.1514 -183008.6072 -148547.2846 301.5098 -299.0794 -269.9885 558139.0449 -2.5278 -2.3501 PRESSURE: 311800 319.16 -110.545 47.9948 -110.545 -153.979 42.8462 47.9942 42.8468 -255.197 GPRESSURE: 311800 351.674 -132.384 89.2528 -116.944 -99.6189 91.6769 7.20393 8.97872 -237.573 PRESSAVG: 311800 26.6968 -42.8396 -31.8626 -42.8396 -120.074 -31.5066 -31.8627 -31.5066 20.2361 GPRESSAVG: 311800 25.802 -43.6925 -30.7736 -39.5302 -121.019 -29.9333 -32.7403 -30.5892 21.3526 TIMING: 311800 CPU: 922.179, 0.00298586/step Wall: 922.179, 0.00298586/step, 3.88841 hours remaining, 204.363281 MB of memory in use. ENERGY: 311800 779.9257 2109.1703 1943.3130 106.6081 -206131.1449 17840.4471 0.0000 0.0000 34423.2182 -148928.4625 300.6265 -183351.6807 -148830.1456 300.3949 -30.0051 4.8274 557892.1214 -24.3805 -24.6214 PRESSURE: 312000 6.56857 57.4274 -131.841 57.4284 -219.239 61.1241 -131.841 61.1247 0.182604 GPRESSURE: 312000 36.1919 86.9466 -66.1787 51.5188 -203.076 -27.7856 -127.039 133.668 54.1932 PRESSAVG: 312000 3.17397 -79.57 36.778 -79.57 -12.6011 18.7952 36.778 18.7953 29.0247 GPRESSAVG: 312000 3.13613 -79.3539 36.6368 -80.7322 -13.0554 17.5079 36.8584 17.4667 28.9947 TIMING: 312000 CPU: 922.769, 0.00294955/step Wall: 922.769, 0.00294955/step, 3.84097 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: 312000 743.0369 2129.9941 1954.0652 118.0404 -205704.0750 17557.5906 0.0000 0.0000 34167.5707 -149033.7771 298.3939 -183201.3478 -148939.7173 300.7929 -70.8293 -37.5637 558174.9677 6.5325 6.3585 PRESSURE: 312200 78.9413 125.322 172.227 125.323 -167.059 -124.946 172.225 -124.946 56.1333 GPRESSURE: 312200 61.3709 79.7482 192.311 70.535 -141.236 -124.92 187.226 -126.22 142.828 PRESSAVG: 312200 28.8272 -50.226 51.2327 -50.226 -15.3179 -2.13556 51.2326 -2.13546 -26.2701 GPRESSAVG: 312200 29.0377 -47.9838 51.5075 -51.3326 -14.5826 -3.35578 50.2116 -0.897609 -26.3849 TIMING: 312200 CPU: 923.363, 0.00296679/step Wall: 923.363, 0.00296679/step, 3.86326 hours remaining, 204.363281 MB of memory in use. ENERGY: 312200 736.9647 2106.3114 1955.7694 110.7136 -206107.1753 17898.1499 0.0000 0.0000 34122.2217 -149177.0446 297.9978 -183299.2663 -149084.0335 299.8535 -10.6616 20.9875 556307.5966 -4.2536 -3.9766 LDB: ============= START OF LOAD BALANCING ============== 926.792 LDB: ============== END OF LOAD BALANCING =============== 926.792 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 926.793 LDB: ============= START OF LOAD BALANCING ============== 927.09 LDB: Largest compute 4848 load 0.030872 is 26.2% of average load 0.117667 LDB: Average compute 0.001733 is 1.5% of average load 0.117667 LDB: TIME 927.093 LOAD: AVG 0.117667 MAX 0.199232 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.332 MB LDB: TIME 927.093 LOAD: AVG 0.117667 MAX 0.199232 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.535 MB LDB: TIME 927.093 LOAD: AVG 0.117667 MAX 0.199232 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.535 MB LDB: ============== END OF LOAD BALANCING =============== 927.095 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 927.099 PRESSURE: 312400 -219.687 -156.272 -123.958 -156.272 39.7076 112.797 -123.957 112.797 -212.959 GPRESSURE: 312400 -183.038 -159.542 -132.932 -113.577 61.5947 103.083 -113.452 147.533 -178.564 PRESSAVG: 312400 -10.3588 51.4396 8.10095 51.4397 -24.9832 29.0304 8.10103 29.0303 47.5039 GPRESSAVG: 312400 -11.033 52.1513 10.6038 52.3754 -24.1112 30.6942 7.67018 27.228 46.9583 TIMING: 312400 CPU: 923.969, 0.00303398/step Wall: 923.969, 0.00303398/step, 3.95057 hours remaining, 202.523438 MB of memory in use. ENERGY: 312400 748.4295 2130.9780 1942.6256 122.8314 -206069.3078 17696.6504 0.0000 0.0000 34301.2873 -149126.5056 299.5617 -183427.7929 -149032.5973 299.4771 -130.9796 -100.0025 557099.1827 4.0539 3.9380 PRESSURE: 312600 -252.371 -97.5448 -31.2524 -97.5449 -76.5772 49.6068 -31.2536 49.6063 -154.917 GPRESSURE: 312600 -197.446 -53.6146 -42.5749 -114.886 -42.491 1.10756 0.184354 79.91 -156.981 PRESSAVG: 312600 28.4345 14.1446 25.9456 14.1446 -10.9742 36.965 25.9455 36.965 21.2038 GPRESSAVG: 312600 29.5457 11.8641 25.3743 13.2487 -11.7505 36.5736 27.7935 37.1654 21.2047 TIMING: 312600 CPU: 924.562, 0.00296262/step Wall: 924.562, 0.00296262/step, 3.8575 hours remaining, 202.523438 MB of memory in use. ENERGY: 312600 719.2814 2113.7002 1947.0900 113.1154 -205904.4715 17567.2396 0.0000 0.0000 34365.0722 -149078.9727 300.1187 -183444.0450 -148972.9931 300.2664 -161.2883 -132.3059 558040.2074 12.8880 13.0000 PRESSURE: 312800 -211.906 -123.742 11.129 -123.742 -275.629 -73.4409 11.1279 -73.4404 -37.8509 GPRESSURE: 312800 -208.143 -189.603 0.0129017 -46.9504 -267.378 -47.1224 -61.9986 -41.6082 47.3723 PRESSAVG: 312800 -31.0506 37.7074 -1.90571 37.7074 -7.78276 12.5144 -1.90563 12.5145 39.6725 GPRESSAVG: 312800 -30.737 40.9389 -1.7572 36.9159 -6.97059 11.7272 -3.33524 11.9923 38.6457 TIMING: 312800 CPU: 925.156, 0.00296777/step Wall: 925.156, 0.00296777/step, 3.86403 hours remaining, 202.523438 MB of memory in use. ENERGY: 312800 781.3975 2052.8004 1931.7606 122.2639 -205880.1187 17726.0333 0.0000 0.0000 34032.8556 -149233.0074 297.2174 -183265.8630 -149142.0035 299.3170 -175.1288 -142.7165 559204.1974 0.2797 0.3127 PRESSURE: 313000 -297.855 -126.783 18.3355 -126.784 -126.531 -82.4189 18.3358 -82.4201 7.37683 GPRESSURE: 313000 -214.948 -130.161 -54.8358 -125.148 -102.54 -31.2311 96.4435 -98.0205 7.17441 PRESSAVG: 313000 -32.1936 -8.37848 9.05072 -8.37852 4.47726 -20.7024 9.05072 -20.7024 56.4316 GPRESSAVG: 313000 -33.3039 -9.97803 7.31478 -9.68006 4.52033 -20.015 9.20446 -19.7956 58.1591 TIMING: 313000 CPU: 925.743, 0.00293707/step Wall: 925.743, 0.00293707/step, 3.8239 hours remaining, 202.523438 MB of memory in use. ENERGY: 313000 787.5152 2067.1726 1956.9342 115.4169 -206431.6978 17908.3617 0.0000 0.0000 34227.0738 -149369.2233 298.9135 -183596.2971 -149270.8770 299.0808 -139.0032 -103.4377 558192.8999 9.5717 9.7919 PRESSURE: 313200 143.609 -108.76 107.349 -108.76 247.941 57.4725 107.35 57.4723 -80.3647 GPRESSURE: 313200 136.802 -101.964 137.819 -108.048 281.83 61.7082 17.7929 60.5427 -0.962168 PRESSAVG: 313200 -5.93154 -13.0891 7.96757 -13.0891 27.6265 -26.6705 7.96762 -26.6705 -33.626 GPRESSAVG: 313200 -5.21076 -15.425 5.91433 -9.34862 26.9503 -26.3717 9.93365 -27.6724 -34.2955 TIMING: 313200 CPU: 926.331, 0.00294175/step Wall: 926.331, 0.00294174/step, 3.82982 hours remaining, 202.757812 MB of memory in use. ENERGY: 313200 733.2377 2075.9444 1951.9446 111.0268 -206665.2628 18148.7683 0.0000 0.0000 34276.2429 -149368.0981 299.3430 -183644.3410 -149276.3654 298.8205 103.7286 139.2234 558241.8539 -3.9770 -4.1853 PRESSURE: 313400 -1.66244 74.1466 234.163 74.1455 -255.531 -114.618 234.162 -114.619 189.815 GPRESSURE: 313400 14.5789 100.972 281.961 63.4035 -216.407 -67.8101 206.329 -166.282 230.71 PRESSAVG: 313400 23.8488 35.5888 -17.9591 35.5888 -23.7531 -16.4789 -17.959 -16.4789 -28.6147 GPRESSAVG: 313400 22.5914 35.8895 -15.6944 34.8684 -22.8665 -17.9272 -17.7733 -15.7178 -28.4573 TIMING: 313400 CPU: 926.918, 0.00293492/step Wall: 926.918, 0.00293492/step, 3.82078 hours remaining, 202.757812 MB of memory in use. ENERGY: 313400 728.1144 2117.5783 1955.7430 108.8241 -206170.6287 17798.5545 0.0000 0.0000 34273.2205 -149188.5939 299.3166 -183461.8144 -149089.2330 298.2715 -22.4596 9.6274 558980.8643 -9.5063 -9.5774 PRESSURE: 313600 176.061 1.46869 -124.864 1.46939 -71.9293 -71.1739 -124.864 -71.1753 155.44 GPRESSURE: 313600 177.076 21.286 -127.928 12.5914 -6.11688 -72.6137 2.4767 -87.0204 190.96 PRESSAVG: 313600 29.9562 -57.0291 7.30696 -57.0292 17.2042 -29.8032 7.30691 -29.8032 -28.0204 GPRESSAVG: 313600 30.1066 -56.8299 8.91183 -57.2038 16.2948 -27.7482 7.09128 -31.0627 -27.4867 TIMING: 313600 CPU: 927.506, 0.00293785/step Wall: 927.506, 0.00293785/step, 3.82443 hours remaining, 202.757812 MB of memory in use. ENERGY: 313600 714.0072 2058.5496 1965.3046 116.7065 -206448.1995 17957.4126 0.0000 0.0000 34211.4317 -149424.7872 298.7769 -183636.2188 -149325.1608 298.6086 86.5241 120.6396 558705.7863 6.3800 6.3049 PRESSURE: 313800 -89.5814 10.2066 -79.2275 10.208 -177.647 3.69824 -79.2271 3.69733 -301.679 GPRESSURE: 313800 -83.2875 -52.0342 -94.8366 53.4106 -96.4215 45.0127 -103.754 31.3471 -291.273 PRESSAVG: 313800 5.00387 33.4313 -46.0439 33.4313 -41.2358 35.7204 -46.0438 35.7204 20.8765 GPRESSAVG: 313800 4.58089 33.2135 -46.4938 32.1103 -40.8467 35.8358 -48.0892 35.5302 21.3789 TIMING: 313800 CPU: 928.094, 0.0029426/step Wall: 928.094, 0.0029426/step, 3.83044 hours remaining, 202.960938 MB of memory in use. ENERGY: 313800 760.5294 2112.5403 1959.3422 113.6972 -206247.3785 17767.7136 0.0000 0.0000 34206.7351 -149326.8207 298.7359 -183533.5558 -149235.6261 298.7712 -189.6356 -156.9939 558127.8851 -5.1185 -4.9623 PRESSURE: 314000 26.1859 -40.9194 18.074 -40.9198 9.35374 -144.882 18.0751 -144.882 34.491 GPRESSURE: 314000 42.7789 -72.3805 -82.624 -18.1296 23.2121 -74.6117 55.6668 -120.31 93.1403 PRESSAVG: 314000 58.8645 -25.4391 38.6391 -25.4389 -55.1749 12.1161 38.6393 12.1161 8.78724 GPRESSAVG: 314000 59.0016 -24.0104 38.3049 -26.1283 -54.9106 12.0661 39.3981 12.9642 8.31268 TIMING: 314000 CPU: 928.689, 0.00297354/step Wall: 928.689, 0.00297354/step, 3.87056 hours remaining, 202.960938 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: 314000 776.0242 2038.7812 1947.5678 115.3298 -206394.4050 18011.4919 0.0000 0.0000 34255.2829 -149249.9272 299.1599 -183505.2101 -149149.1471 298.8326 23.3435 53.0438 558115.1769 4.1590 4.1346 PRESSURE: 314200 -383.867 -44.34 58.9759 -44.3403 -354.954 18.3999 58.976 18.3989 -386.222 GPRESSURE: 314200 -373.89 -117.103 62.1258 35.8098 -340.046 -75.0676 -3.87799 73.7089 -310.026 PRESSAVG: 314200 -51.2988 6.12414 2.36101 6.12412 5.03031 20.573 2.36093 20.5728 16.2519 GPRESSAVG: 314200 -51.5273 7.44818 0.0914071 7.51558 5.64406 21.5374 2.11471 20.9541 15.6642 TIMING: 314200 CPU: 929.276, 0.00293658/step Wall: 929.276, 0.00293658/step, 3.82228 hours remaining, 202.960938 MB of memory in use. ENERGY: 314200 757.9568 2037.5305 1961.7513 120.9627 -205639.3142 17363.1380 0.0000 0.0000 34103.0757 -149294.8992 297.8306 -183397.9749 -149195.5553 299.1846 -375.0141 -341.3207 559252.2641 -10.0056 -10.0730 PRESSURE: 314400 -240.357 -93.0868 -46.6958 -93.0863 235.781 -4.3435 -46.6949 -4.34238 9.71802 GPRESSURE: 314400 -204.515 -5.22494 -37.7769 -173.827 221.761 50.1399 -20.9237 17.4984 72.0551 PRESSAVG: 314400 -73.343 -69.5555 -2.44786 -69.5555 85.4238 27.5351 -2.44785 27.5352 41.2217 GPRESSAVG: 314400 -72.6545 -69.2046 -1.26119 -70.1211 83.9553 28.6571 -1.46384 25.6767 42.5034 TIMING: 314400 CPU: 929.864, 0.00293737/step Wall: 929.864, 0.00293737/step, 3.82315 hours remaining, 202.960938 MB of memory in use. ENERGY: 314400 726.0200 2050.4562 1959.1181 127.1700 -206234.4715 17906.1977 0.0000 0.0000 34163.2948 -149302.2148 298.3566 -183465.5096 -149197.8301 298.4095 1.7142 29.7672 560125.6198 17.7675 17.9347 PRESSURE: 314600 -51.3435 78.8197 112.578 78.8191 3.36257 74.1009 112.578 74.1007 147.275 GPRESSURE: 314600 -35.8123 7.05999 137.741 31.9525 47.4426 17.214 104.785 70.0696 185.209 PRESSAVG: 314600 -41.8089 34.9008 5.0013 34.9009 37.65 15.9588 5.00133 15.9588 19.171 GPRESSAVG: 314600 -43.6862 33.0037 5.03122 34.7769 39.2377 12.6377 5.17642 17.9646 19.0268 TIMING: 314600 CPU: 930.451, 0.00293581/step Wall: 930.451, 0.00293581/step, 3.82095 hours remaining, 202.960938 MB of memory in use. ENERGY: 314600 734.4101 2095.6832 1945.6684 131.6257 -206276.1423 17862.3171 0.0000 0.0000 34159.8539 -149346.5839 298.3265 -183506.4378 -149252.3367 298.6532 33.0979 65.6130 558481.0298 5.0040 4.8594 PRESSURE: 314800 58.1394 94.3008 61.1929 94.3004 115.55 150.947 61.1933 150.947 22.9106 GPRESSURE: 314800 84.425 -33.029 165.65 99.6099 129.607 70.0134 34.671 75.7374 79.8376 PRESSAVG: 314800 2.9383 -53.0497 5.62289 -53.0497 -21.1038 20.1458 5.6229 20.1457 -7.63575 GPRESSAVG: 314800 2.45486 -52.8484 7.03386 -52.2415 -19.6093 20.2967 5.79811 20.2022 -8.64952 TIMING: 314800 CPU: 931.038, 0.00293252/step Wall: 931.038, 0.00293252/step, 3.81652 hours remaining, 202.960938 MB of memory in use. ENERGY: 314800 719.1745 2164.1424 1937.3012 104.1857 -206521.4248 17907.6819 0.0000 0.0000 34199.7665 -149489.1726 298.6751 -183688.9391 -149391.2882 298.6245 65.5334 97.9566 558234.5416 -8.6004 -8.6013 PRESSURE: 315000 89.7037 17.6725 91.2712 17.6719 -68.0099 -10.1304 91.2713 -10.1303 45.8836 GPRESSURE: 315000 103.279 53.0937 76.3566 -22.7472 -47.7498 19.3011 35.2055 -3.08353 105.891 PRESSAVG: 315000 8.14732 -75.8406 1.13522 -75.8405 -56.2501 31.4038 1.13522 31.4037 60.273 GPRESSAVG: 315000 9.83368 -74.68 1.16051 -77.959 -59.6861 33.9854 0.437674 30.4029 61.7038 TIMING: 315000 CPU: 931.627, 0.0029467/step Wall: 931.627, 0.0029467/step, 3.83481 hours remaining, 202.960938 MB of memory in use. ENERGY: 315000 749.0678 2074.7242 1947.4353 123.5186 -206400.2053 17965.7050 0.0000 0.0000 34041.6629 -149498.0916 297.2943 -183539.7545 -149406.9086 298.4309 22.5258 53.8066 557889.6487 4.0567 3.9505 PRESSURE: 315200 -143.013 -126.991 69.0924 -126.991 -158.335 -136.967 69.0929 -136.967 -105.001 GPRESSURE: 315200 -135.443 -263.217 125.351 -92.3597 -86.7112 -156.861 18.4015 -37.0037 -78.6988 PRESSAVG: 315200 24.1129 -76.5057 -22.1291 -76.5057 -44.218 -3.52163 -22.1291 -3.52168 -17.6846 GPRESSAVG: 315200 23.7402 -78.0703 -23.1776 -75.0103 -43.7656 -5.90498 -22.3268 -2.22961 -18.1687 TIMING: 315200 CPU: 932.215, 0.00293998/step Wall: 932.215, 0.00293998/step, 3.8259 hours remaining, 202.960938 MB of memory in use. ENERGY: 315200 758.5211 2139.6518 1934.5613 114.8005 -206377.9081 17791.1031 0.0000 0.0000 34202.6861 -149436.5842 298.7006 -183639.2704 -149345.5453 298.2145 -135.4496 -100.2842 557503.3868 -12.5965 -12.7314 PRESSURE: 315400 -80.0962 -126.038 -173.86 -126.039 -121.456 -81.9023 -173.859 -81.9034 -64.527 GPRESSURE: 315400 -42.4432 -63.2846 -198.171 -44.4501 -42.6368 -90.2343 -160.33 -97.2628 -84.8845 PRESSAVG: 315400 -49.7091 -52.3967 24.4364 -52.3968 41.0768 1.73657 24.4363 1.73662 -25.2341 GPRESSAVG: 315400 -50.3809 -51.4988 23.9409 -51.9948 42.1657 -0.728776 25.6754 2.02532 -25.7709 TIMING: 315400 CPU: 932.803, 0.00294229/step Wall: 932.803, 0.00294229/step, 3.82874 hours remaining, 202.960938 MB of memory in use. ENERGY: 315400 718.1078 2094.2314 1977.5582 113.0289 -206040.5696 17536.4769 0.0000 0.0000 34230.0577 -149371.1087 298.9396 -183601.1664 -149268.4566 298.8402 -88.6931 -56.6548 555641.2111 -11.2888 -11.3287 PRESSURE: 315600 262.44 -20.1916 -85.2085 -20.1916 -184.191 40.6527 -85.2088 40.6528 72.6538 GPRESSURE: 315600 228.307 -64.4044 -130.885 12.6978 -81.5138 120.236 -5.56512 -24.8604 94.7621 PRESSAVG: 315600 -7.03477 19.6825 -30.4568 19.6825 44.5389 39.6644 -30.4568 39.6645 -43.6753 GPRESSAVG: 315600 -6.25805 21.4348 -29.4926 18.8164 43.7227 40.0965 -31.53 40.0234 -44.0969 TIMING: 315600 CPU: 933.391, 0.0029407/step Wall: 933.391, 0.0029407/step, 3.82651 hours remaining, 202.960938 MB of memory in use. ENERGY: 315600 769.0517 2048.1741 1972.0291 106.1930 -206246.6619 17757.8957 0.0000 0.0000 34266.4679 -149326.8504 299.2576 -183593.3183 -149229.2117 299.2150 50.3010 80.5184 555416.0032 -2.0571 -2.2108 PRESSURE: 315800 140.225 -71.1058 -231.107 -71.1059 163.251 137.097 -231.106 137.097 106.529 GPRESSURE: 315800 119.67 -75.0036 -159.37 -33.3037 234.426 170.452 -307.982 131.563 139.381 PRESSAVG: 315800 74.2571 -0.366185 -56.1445 -0.36612 -28.3693 20.1241 -56.1446 20.1241 -9.13335 GPRESSAVG: 315800 73.9915 -2.70389 -57.0902 2.23351 -27.885 21.1694 -55.7457 18.5431 -9.19228 TIMING: 315800 CPU: 933.983, 0.00295886/step Wall: 933.983, 0.00295886/step, 3.84997 hours remaining, 202.960938 MB of memory in use. ENERGY: 315800 695.5238 2086.2036 1927.7999 115.2373 -206479.6088 17983.0625 0.0000 0.0000 34205.4118 -149466.3699 298.7244 -183671.7817 -149358.4094 298.5011 136.6686 164.4924 555529.2646 12.2515 12.3048 PRESSURE: 316000 43.1235 -58.5971 -132.006 -58.5959 155.25 -61.9339 -132.007 -61.9344 52.2414 GPRESSURE: 316000 76.6935 -208.068 -70.3789 -52.8132 217.876 -33.0282 -213.248 -45.9963 61.7404 PRESSAVG: 316000 14.4447 33.842 -66.0038 33.842 -14.1834 -64.1268 -66.0038 -64.1268 -53.4588 GPRESSAVG: 316000 14.4992 33.7798 -65.1242 30.2396 -13.9771 -63.1726 -65.7219 -64.645 -53.6631 TIMING: 316000 CPU: 934.571, 0.00294052/step Wall: 934.571, 0.00294052/step, 3.82594 hours remaining, 202.960938 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: 316000 715.1409 2086.1943 1954.1800 110.3825 -206112.5462 17695.6030 0.0000 0.0000 34208.1581 -149342.8875 298.7484 -183551.0456 -149248.7587 299.1814 83.5383 118.7699 555415.2087 -17.7325 -17.7137 PRESSURE: 316200 -83.2487 -45.3627 -20.3073 -45.3625 -250.53 -42.284 -20.3062 -42.2832 -152.995 GPRESSURE: 316200 -5.55071 -86.2828 -70.8319 -69.5539 -262.363 -153.12 19.121 0.378739 -119.678 PRESSAVG: 316200 20.5604 -51.8241 -17.9135 -51.8241 73.8175 -44.0089 -17.9134 -44.0087 -28.8517 GPRESSAVG: 316200 20.8736 -50.3608 -16.142 -50.7205 74.2264 -43.8475 -19.2527 -43.4944 -29.5414 TIMING: 316200 CPU: 935.16, 0.0029442/step Wall: 935.16, 0.0029442/step, 3.83057 hours remaining, 202.960938 MB of memory in use. ENERGY: 316200 762.7599 2080.8034 1919.6943 100.8544 -206030.5643 17687.6445 0.0000 0.0000 34197.8117 -149280.9962 298.6580 -183478.8079 -149186.3219 298.9208 -162.2581 -129.1974 557419.8827 21.8420 21.8529 LDB: ============= START OF LOAD BALANCING ============== 938.586 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 938.586 LDB: =============== DONE WITH MIGRATION ================ 938.587 LDB: ============= START OF LOAD BALANCING ============== 938.882 LDB: Largest compute 4848 load 0.031278 is 26.6% of average load 0.117629 LDB: Average compute 0.001738 is 1.5% of average load 0.117629 LDB: TIME 938.885 LOAD: AVG 0.117629 MAX 0.19602 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.141 MB LDB: TIME 938.885 LOAD: AVG 0.117629 MAX 0.19602 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.148 MB LDB: TIME 938.885 LOAD: AVG 0.117629 MAX 0.19602 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 938.887 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 938.891 PRESSURE: 316400 313.191 -31.2305 -101.516 -31.2323 149.898 -3.24282 -101.516 -3.24253 78.8565 GPRESSURE: 316400 340.966 -2.96536 -41.1596 -75.4943 162.863 -21.1083 -62.1496 3.96317 133.257 PRESSAVG: 316400 18.6339 -47.6736 -0.848695 -47.6736 -51.1017 -14.6614 -0.848659 -14.6613 54.6593 GPRESSAVG: 316400 18.2097 -48.3068 -0.797593 -48.1664 -50.68 -14.7398 -1.64929 -15.1054 54.684 TIMING: 316400 CPU: 935.761, 0.00300368/step Wall: 935.761, 0.00300368/step, 3.90778 hours remaining, 203.750000 MB of memory in use. ENERGY: 316400 721.2270 2070.7575 1944.3894 113.6181 -206463.7989 17979.9366 0.0000 0.0000 34181.2475 -149452.6227 298.5133 -183633.8703 -149346.0953 298.4404 180.6486 212.3618 557751.4538 7.3972 7.4046 PRESSURE: 316600 -99.7646 127.585 -68.833 127.584 -36.4186 89.1892 -68.8326 89.1893 191.24 GPRESSURE: 316600 -17.6474 128.188 -131.382 185.574 12.5611 120.565 63.1758 59.0125 156.841 PRESSAVG: 316600 -31.425 20.4194 3.85581 20.4193 -12.2167 4.71546 3.85579 4.71545 47.8337 GPRESSAVG: 316600 -32.4179 20.4299 1.03184 22.0348 -12.131 2.58904 6.05833 4.99821 48.7827 TIMING: 316600 CPU: 936.355, 0.0029719/step Wall: 936.355, 0.0029719/step, 3.86628 hours remaining, 203.750000 MB of memory in use. ENERGY: 316600 735.8391 2016.5922 1949.2732 119.7335 -206629.7841 17866.6593 0.0000 0.0000 34170.6132 -149771.0736 298.4205 -183941.6868 -149679.1976 298.0231 18.3525 50.5848 556605.7109 1.3973 1.4113 PRESSURE: 316800 62.6155 39.7909 296.925 39.7913 47.1509 -11.6839 296.924 -11.6835 47.2826 GPRESSURE: 316800 83.6994 54.9128 355.559 58.0615 101.682 19.4137 288.07 6.72525 65.9021 PRESSAVG: 316800 16.834 39.0766 48.0205 39.0766 -36.9553 27.9886 48.0205 27.9886 48.0321 GPRESSAVG: 316800 18.6197 39.4025 48.9299 38.3816 -38.8127 28.7739 48.1058 26.4868 48.3547 TIMING: 316800 CPU: 936.945, 0.00294843/step Wall: 936.945, 0.00294843/step, 3.83558 hours remaining, 203.750000 MB of memory in use. ENERGY: 316800 775.6603 2076.0883 1952.5962 133.3459 -206788.6159 18046.0187 0.0000 0.0000 34145.8195 -149659.0870 298.2039 -183804.9065 -149564.6254 297.3947 52.3497 83.7612 556756.9108 9.3036 9.3872 PRESSURE: 317000 -34.4084 1.85128 164.313 1.85181 -75.9144 -10.8057 164.313 -10.8057 -158.361 GPRESSURE: 317000 -40.1136 69.2787 165.043 -25.4933 -22.3104 -24.7869 26.4439 -0.983885 -109.961 PRESSAVG: 317000 -32.0053 -22.9616 66.5077 -22.9617 -11.3018 -0.117315 66.5078 -0.117391 57.3953 GPRESSAVG: 317000 -34.1072 -22.5111 68.668 -22.1474 -9.94987 1.0309 65.0118 -0.0805311 58.1564 TIMING: 317000 CPU: 937.537, 0.00296113/step Wall: 937.537, 0.00296113/step, 3.85194 hours remaining, 203.750000 MB of memory in use. ENERGY: 317000 765.2422 2069.9361 1949.8356 111.9327 -206491.2549 17642.8690 0.0000 0.0000 34080.6921 -149870.7472 297.6352 -183951.4394 -149780.3841 297.4718 -89.5612 -57.4618 555596.7309 4.6961 4.6998 PRESSURE: 317200 -157.651 -169.287 39.3802 -169.289 -74.445 -18.2424 39.3806 -18.2417 -196.894 GPRESSURE: 317200 -130.158 -134.207 24.7194 -273.19 -22.6685 -7.82219 -14.4686 48.6288 -171.012 PRESSAVG: 317200 34.5274 -18.2295 11.9681 -18.2295 -15.1156 -23.5131 11.9682 -23.513 -11.6549 GPRESSAVG: 317200 35.187 -20.5006 9.72661 -16.5314 -14.6818 -23.4013 13.6385 -23.1854 -12.5748 TIMING: 317200 CPU: 938.13, 0.00296632/step Wall: 938.13, 0.00296632/step, 3.85853 hours remaining, 203.750000 MB of memory in use. ENERGY: 317200 770.9783 2109.8151 1944.0700 115.8322 -206629.5685 17815.9751 0.0000 0.0000 34053.4142 -149819.4836 297.3969 -183872.8978 -149721.1149 297.4396 -142.9967 -107.9461 557304.4246 2.5856 2.6434 PRESSURE: 317400 99.384 82.8023 -32.3472 82.8029 185.131 10.219 -32.3469 10.2179 -54.3159 GPRESSURE: 317400 119.093 125.143 -26.394 115.45 226.236 -49.9293 -86.6305 6.3969 -14.8864 PRESSAVG: 317400 1.81802 -19.4442 1.98057 -19.4442 15.2589 -6.34657 1.98064 -6.34657 -15.3721 GPRESSAVG: 317400 1.45179 -18.6929 2.66775 -21.7737 14.7739 -7.3873 0.164601 -6.69409 -14.5364 TIMING: 317400 CPU: 938.724, 0.00296901/step Wall: 938.724, 0.00296901/step, 3.86185 hours remaining, 203.875000 MB of memory in use. ENERGY: 317400 745.4186 2093.2674 1959.6569 112.3324 -206748.5643 17969.9189 0.0000 0.0000 34171.9364 -149696.0337 298.4320 -183867.9701 -149596.1266 297.6166 76.7330 110.1474 556444.4917 0.5683 0.5631 PRESSURE: 317600 -129.366 -29.1654 5.69181 -29.1655 2.6346 -205.525 5.69283 -205.526 28.6969 GPRESSURE: 317600 -120.221 -144.664 -74.9233 -5.28735 56.3521 -214.043 -9.04596 -141.876 62.6203 PRESSAVG: 317600 -5.68723 9.37148 -16.6616 9.37143 27.0192 -53.1826 -16.6615 -53.1826 -8.25993 GPRESSAVG: 317600 -4.38363 9.87221 -15.7123 10.4085 26.8783 -51.4075 -15.9568 -52.0803 -9.73852 TIMING: 317600 CPU: 939.317, 0.00296238/step Wall: 939.317, 0.00296238/step, 3.85307 hours remaining, 203.875000 MB of memory in use. ENERGY: 317600 739.8992 2123.5534 1973.8935 102.6570 -206567.9679 17870.7786 0.0000 0.0000 34058.3443 -149698.8419 297.4400 -183757.1862 -149610.0703 297.5892 -32.6783 -0.4164 558073.8029 4.3573 4.2521 PRESSURE: 317800 -250.002 106.424 -131.576 106.423 -136.072 168.847 -131.576 168.846 -100.337 GPRESSURE: 317800 -239.288 43.9424 -126.366 157.454 -116.319 199.853 -101.767 196.063 -39.5618 PRESSAVG: 317800 -13.7571 14.9059 -62.996 14.906 -18.2009 54.1269 -62.996 54.1269 50.5139 GPRESSAVG: 317800 -14.4944 15.0804 -61.9288 13.1055 -17.0208 52.1733 -64.6349 53.5731 50.4296 TIMING: 317800 CPU: 939.917, 0.00300078/step Wall: 939.917, 0.00300078/step, 3.90285 hours remaining, 203.875000 MB of memory in use. ENERGY: 317800 817.8292 2087.3202 1945.5656 111.0104 -206576.2922 17927.8024 0.0000 0.0000 34090.9305 -149595.8338 297.7246 -183686.7643 -149500.6187 297.5295 -162.1368 -131.7232 557841.3641 6.1853 6.3048 PRESSURE: 318000 -64.2348 -21.9281 -126.211 -21.9278 105.981 173.324 -126.211 173.322 135.768 GPRESSURE: 318000 -19.4894 -79.2989 -121.969 33.3025 124.952 175.594 -107.098 171.076 160.246 PRESSAVG: 318000 67.8415 12.6809 -40.7302 12.681 -11.0128 33.3226 -40.7303 33.3225 -47.5736 GPRESSAVG: 318000 69.8419 11.6561 -44.0745 14.984 -12.8537 34.7221 -39.4711 33.2529 -47.3787 TIMING: 318000 CPU: 940.521, 0.00301922/step Wall: 940.521, 0.00301922/step, 3.92666 hours remaining, 203.875000 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: 318000 728.7626 2099.5700 1933.0890 113.9673 -206539.8708 18019.2031 0.0000 0.0000 34204.6941 -149440.5846 298.7181 -183645.2788 -149335.9550 298.4759 59.1712 88.5695 557784.6601 3.0850 3.2032 PRESSURE: 318200 -278.537 -98.8039 172.274 -98.8056 107.649 -116.803 172.272 -116.802 -30.4147 GPRESSURE: 318200 -250.454 -107.818 197.684 -134.516 121.568 -46.6739 147.293 -151.481 18.0347 PRESSAVG: 318200 -45.6108 -38.0574 3.44112 -38.0573 8.65041 76.6349 3.44104 76.635 18.7267 GPRESSAVG: 318200 -46.4438 -37.3507 4.73757 -39.0371 9.33292 74.5403 4.0291 78.3455 18.7908 TIMING: 318200 CPU: 941.113, 0.00295952/step Wall: 941.113, 0.00295952/step, 3.84886 hours remaining, 203.875000 MB of memory in use. ENERGY: 318200 750.8858 2122.5422 1964.5233 109.8023 -206329.2152 17782.3723 0.0000 0.0000 34166.6713 -149432.4180 298.3860 -183599.0893 -149337.8796 298.1393 -67.1012 -36.9505 558345.9233 -6.0779 -6.1067 PRESSURE: 318400 -396.834 -64.2864 -150.457 -64.2861 -305.809 80.4747 -150.457 80.4745 -277.247 GPRESSURE: 318400 -358.774 -70.3843 -93.3953 -93.5371 -210.726 68.9198 -82.2227 82.7154 -304.066 PRESSAVG: 318400 32.6771 -25.1008 -10.4047 -25.1008 -6.73043 29.8277 -10.4047 29.8277 19.7924 GPRESSAVG: 318400 32.8653 -23.7585 -10.5569 -25.9003 -7.32358 30.619 -9.84135 29.1858 20.1439 TIMING: 318400 CPU: 941.702, 0.00294523/step Wall: 941.702, 0.00294523/step, 3.83011 hours remaining, 203.875000 MB of memory in use. ENERGY: 318400 760.8444 2069.4541 1928.7331 125.9661 -206050.4725 17409.0625 0.0000 0.0000 34207.3075 -149549.1048 298.7409 -183756.4123 -149452.2304 298.2491 -326.6299 -291.1886 558096.5753 15.2464 15.2285 PRESSURE: 318600 182.301 -88.467 -25.4602 -88.467 198.417 95.2167 -25.459 95.2174 212.95 GPRESSURE: 318600 197.789 -95.5932 -47.3073 43.862 265.281 99.0431 -31.5971 82.6424 221.491 PRESSAVG: 318600 52.3331 -12.367 -25.1944 -12.367 -31.4932 12.8748 -25.1944 12.8747 -13.3116 GPRESSAVG: 318600 51.2558 -13.052 -26.7355 -11.3941 -30.3311 12.6435 -24.0797 12.8966 -13.3249 TIMING: 318600 CPU: 942.298, 0.00298025/step Wall: 942.298, 0.00298025/step, 3.87548 hours remaining, 203.875000 MB of memory in use. ENERGY: 318600 727.5828 2160.7115 1937.4313 115.9017 -206448.0679 18069.6354 0.0000 0.0000 34156.5546 -149280.2506 298.2977 -183436.8052 -149182.8369 298.7951 197.8894 228.1868 556280.2942 2.5094 2.5333 PRESSURE: 318800 117.84 -22.2232 -91.3315 -22.2239 -237.668 221.359 -91.3318 221.36 -162.555 GPRESSURE: 318800 143.407 127.743 -93.95 -77.2209 -189.976 163.928 -134.45 214.829 -127.114 PRESSAVG: 318800 69.456 43.0317 -1.25362 43.0316 -5.23993 1.96128 -1.25363 1.96142 -42.6705 GPRESSAVG: 318800 69.5127 42.0361 -0.934561 42.0651 -5.38546 2.97708 -3.52852 2.03261 -41.697 TIMING: 318800 CPU: 942.893, 0.00297756/step Wall: 942.893, 0.00297756/step, 3.87182 hours remaining, 203.875000 MB of memory in use. ENERGY: 318800 722.0555 2137.1228 1960.0209 124.7833 -205883.1723 17679.2526 0.0000 0.0000 34046.4353 -149213.5019 297.3360 -183259.9372 -149122.8741 298.8854 -94.1277 -57.8944 557988.9242 7.1819 7.4768 PRESSURE: 319000 140.924 32.3943 131.301 32.3956 55.616 -43.5365 131.3 -43.5359 -39.2535 GPRESSURE: 319000 160.997 -5.42466 144.629 33.3134 64.7449 -52.1881 200.06 -9.41793 32.732 PRESSAVG: 319000 65.4215 34.8172 56.1823 34.8173 -5.31892 -4.96813 56.1823 -4.96819 -30.7066 GPRESSAVG: 319000 66.0818 35.5399 57.2246 35.4408 -6.10949 -6.45909 56.4384 -6.53339 -30.6689 TIMING: 319000 CPU: 943.481, 0.00294101/step Wall: 943.481, 0.00294101/step, 3.82413 hours remaining, 203.875000 MB of memory in use. ENERGY: 319000 708.9649 2157.5859 1957.2119 98.7229 -206724.3333 18106.1713 0.0000 0.0000 34420.5491 -149275.1272 300.6032 -183695.6763 -149180.4220 299.7019 52.4287 86.1579 556947.5432 9.7987 9.7678 PRESSURE: 319200 -272.104 -52.594 254.099 -52.5939 -68.5073 -106.674 254.1 -106.673 64.1604 GPRESSURE: 319200 -304.775 -0.619293 217.233 -99.6402 -52.9498 -32.4933 312.97 -182.671 180.089 PRESSAVG: 319200 -41.1255 -7.95639 26.0061 -7.95649 21.3893 -13.0045 26.0061 -13.0044 -13.9137 GPRESSAVG: 319200 -41.3863 -8.84693 26.6771 -8.78927 21.7982 -10.726 26.5334 -12.8006 -14.2672 TIMING: 319200 CPU: 944.069, 0.00293708/step Wall: 944.069, 0.00293708/step, 3.81886 hours remaining, 203.875000 MB of memory in use. ENERGY: 319200 752.6374 2134.2479 1948.5813 117.0286 -206307.3385 17674.6597 0.0000 0.0000 34415.6327 -149264.5510 300.5603 -183680.1837 -149173.0169 299.4915 -92.1502 -59.2119 558039.9684 -11.2166 -11.2851 PRESSURE: 319400 -309.95 -129.395 134.867 -129.395 -71.267 -50.6741 134.868 -50.6743 -126.877 GPRESSURE: 319400 -296.085 -132.725 66.9506 -36.5016 -49.9177 -51.4409 117.245 -52.3202 -73.1891 PRESSAVG: 319400 14.2871 -14.7011 37.0262 -14.7011 -30.3144 -46.0333 37.0261 -46.0333 19.6126 GPRESSAVG: 319400 15.497 -13.2438 36.8631 -13.1208 -30.4945 -48.1522 35.1009 -45.1431 18.3838 TIMING: 319400 CPU: 944.658, 0.0029462/step Wall: 944.658, 0.0029462/step, 3.83056 hours remaining, 203.875000 MB of memory in use. ENERGY: 319400 743.6898 2094.4433 1923.5300 121.4002 -206142.1832 17684.0456 0.0000 0.0000 34222.0898 -149352.9846 298.8700 -183575.0744 -149248.0451 299.0170 -169.3649 -139.7307 558853.9252 1.1951 1.1288 PRESSURE: 319600 -313.956 -76.6446 12.5275 -76.6442 -262.277 74.5833 12.528 74.586 -172.694 GPRESSURE: 319600 -249.724 -64.2651 -88.8234 -100.274 -207.562 -1.99469 145.418 125.787 -194.318 PRESSAVG: 319600 16.8665 -151.336 -4.20293 -151.336 6.59761 3.48273 -4.20278 3.48275 -37.6902 GPRESSAVG: 319600 16.9105 -150.512 -3.70572 -153.972 5.97535 3.71809 -2.09978 4.40554 -37.2432 TIMING: 319600 CPU: 945.25, 0.00296045/step Wall: 945.25, 0.00296045/step, 3.84891 hours remaining, 203.875000 MB of memory in use. ENERGY: 319600 764.8417 2091.7376 1941.3432 114.3682 -205860.2115 17576.8402 0.0000 0.0000 34232.1599 -149138.9206 298.9580 -183371.0804 -149032.4784 299.2381 -249.6424 -217.2013 559698.3385 -4.7420 -4.7858 PRESSURE: 319800 43.9853 39.6784 -133.647 39.6785 98.5312 -82.5493 -133.647 -82.5498 7.52309 GPRESSURE: 319800 84.7352 88.9684 -147.213 63.2662 135.295 -137.251 -90.1087 -30.3399 23.8627 PRESSAVG: 319800 -11.0224 -59.617 -50.2883 -59.617 62.3633 -24.4104 -50.2883 -24.4105 -47.9633 GPRESSAVG: 319800 -11.2122 -61.0889 -50.9 -58.1918 62.39 -23.5921 -51.5274 -24.473 -48.0771 TIMING: 319800 CPU: 945.844, 0.00296899/step Wall: 945.844, 0.00296899/step, 3.85985 hours remaining, 203.875000 MB of memory in use. ENERGY: 319800 732.3809 2170.8637 1929.1157 115.0991 -206222.2943 18008.7312 0.0000 0.0000 34085.0251 -149181.0786 297.6730 -183266.1038 -149087.0128 298.8467 50.0132 81.2976 558586.8549 1.1258 1.0336 PRESSURE: 320000 -337.26 -191.653 96.7608 -191.654 47.4749 -77.9447 96.76 -77.9456 -20.8976 GPRESSURE: 320000 -313.468 -178.009 -40.32 -190.49 58.078 29.8745 116.201 -38.3824 44.4952 PRESSAVG: 320000 -36.5748 -31.4839 -50.5658 -31.4839 38.0594 16.2547 -50.5658 16.2546 49.0535 GPRESSAVG: 320000 -36.9948 -32.3538 -49.819 -29.4114 37.8499 16.5792 -50.532 15.0463 48.8529 TIMING: 320000 CPU: 946.435, 0.00295711/step Wall: 946.435, 0.00295711/step, 3.84424 hours remaining, 203.875000 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: 320000 743.5057 2133.1324 1952.4674 104.4105 -206376.9797 17893.5590 0.0000 0.0000 34431.1295 -149118.7754 300.6956 -183549.9049 -149019.4031 299.4827 -103.5610 -70.2982 558681.5412 16.8461 16.5693 PRESSURE: 320200 -56.5081 57.4611 65.6174 57.4606 -359.719 -70.1213 65.6174 -70.1222 -274.612 GPRESSURE: 320200 -58.8229 89.6026 84.7659 28.1537 -342.964 -93.3358 118.805 -38.4743 -193.616 PRESSAVG: 320200 -28.2021 -88.8603 10.4439 -88.8603 -4.73646 -20.2438 10.4439 -20.2438 30.983 GPRESSAVG: 320200 -29.4037 -87.5426 9.05724 -89.8694 -3.59509 -21.9252 9.71535 -20.1296 31.1176 TIMING: 320200 CPU: 947.027, 0.00296006/step Wall: 947.027, 0.00296006/step, 3.84791 hours remaining, 203.875000 MB of memory in use. ENERGY: 320200 759.9689 2077.1718 1928.7345 122.1554 -205728.9721 17611.6929 0.0000 0.0000 34182.2241 -149047.0245 298.5219 -183229.2486 -148946.9391 300.1506 -230.2799 -198.4677 559116.5058 -0.6518 -0.6271 LDB: ============= START OF LOAD BALANCING ============== 950.452 LDB: ============== END OF LOAD BALANCING =============== 950.452 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 950.454 LDB: ============= START OF LOAD BALANCING ============== 950.75 LDB: Largest compute 4848 load 0.029687 is 25.2% of average load 0.117607 LDB: Average compute 0.001730 is 1.5% of average load 0.117607 LDB: TIME 950.752 LOAD: AVG 0.117607 MAX 0.195865 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.391 MB LDB: TIME 950.753 LOAD: AVG 0.117607 MAX 0.195865 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.391 MB LDB: TIME 950.753 LOAD: AVG 0.117607 MAX 0.195865 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.391 MB LDB: ============== END OF LOAD BALANCING =============== 950.755 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 950.759 PRESSURE: 320400 -339.779 -153.742 -163.464 -153.741 46.9293 39.5412 -163.464 39.5417 -315.019 GPRESSURE: 320400 -376.712 -108.279 -177.516 -194.766 140.047 9.17275 -180.501 62.7959 -270.504 PRESSAVG: 320400 -12.6462 -38.9656 73.0737 -38.9655 25.4278 1.85429 73.0738 1.85433 -37.2943 GPRESSAVG: 320400 -12.4062 -39.9783 73.7934 -38.3423 24.4577 4.57015 73.5199 -0.822053 -36.5011 TIMING: 320400 CPU: 947.629, 0.00300857/step Wall: 947.629, 0.00300857/step, 3.9108 hours remaining, 203.796875 MB of memory in use. ENERGY: 320400 759.5460 2149.2245 1949.0998 114.8228 -206011.1172 17575.2061 0.0000 0.0000 34242.0226 -149221.1954 299.0441 -183463.2179 -149132.4479 299.1583 -202.6228 -169.0564 557981.8252 -8.1709 -8.1499 PRESSURE: 320600 -39.8017 40.1993 -44.9576 40.1993 164.2 13.9049 -44.9567 13.9052 199.845 GPRESSURE: 320600 -46.3052 60.173 -61.044 69.8907 161.941 -1.86429 -43.9984 65.9096 308.787 PRESSAVG: 320600 -68.0129 18.0404 36.0969 18.0403 76.5178 12.1714 36.097 12.1714 -43.9121 GPRESSAVG: 320600 -67.9991 18.8075 36.0546 17.7891 77.2061 11.2397 37.5753 12.8994 -44.1089 TIMING: 320600 CPU: 948.222, 0.00296236/step Wall: 948.222, 0.00296236/step, 3.85057 hours remaining, 204.000000 MB of memory in use. ENERGY: 320600 700.9673 2129.9446 1938.0756 112.0958 -206322.9592 17938.8487 0.0000 0.0000 34320.4437 -149182.5835 299.7290 -183503.0272 -149088.7680 299.6205 108.0812 141.4743 557405.2283 -11.8024 -11.6340 PRESSURE: 320800 76.0154 -7.58265 -38.3161 -7.5824 -123.383 -80.9495 -38.3161 -80.9491 65.0797 GPRESSURE: 320800 100.907 -48.5688 -8.60158 21.8249 -127.867 -20.4753 -64.4336 -82.5482 124.727 PRESSAVG: 320800 2.80467 -7.11644 24.343 -7.1165 21.8175 -22.8005 24.3431 -22.8005 -27.0366 GPRESSAVG: 320800 3.85605 -6.94147 24.5783 -9.39983 22.0561 -21.2362 24.0146 -20.4931 -28.7036 TIMING: 320800 CPU: 948.82, 0.00299424/step Wall: 948.82, 0.00299424/step, 3.89185 hours remaining, 204.000000 MB of memory in use. ENERGY: 320800 731.1592 2144.9742 1911.1722 109.3423 -206190.3783 17707.3187 0.0000 0.0000 34266.5869 -149319.8248 299.2586 -183586.4117 -149222.0542 299.5235 5.9040 32.5890 558578.8966 -0.8048 -0.9305 PRESSURE: 321000 44.924 -98.8182 -57.2613 -98.8189 -206.746 57.6068 -57.2601 57.6061 -21.1621 GPRESSURE: 321000 73.0875 -78.2072 -66.8279 -61.568 -165.7 33.8528 16.398 83.1896 -4.21212 PRESSAVG: 321000 85.3103 -29.2341 -3.24833 -29.2341 -35.0284 36.7455 -3.2483 36.7456 7.39335 GPRESSAVG: 321000 83.5511 -30.4075 -3.84757 -27.9239 -34.4596 34.4409 -3.08473 35.8794 8.54229 TIMING: 321000 CPU: 949.417, 0.00298086/step Wall: 949.417, 0.00298086/step, 3.87428 hours remaining, 204.000000 MB of memory in use. ENERGY: 321000 748.5238 2142.8885 1949.4226 113.2665 -206280.4892 17704.1112 0.0000 0.0000 34431.0424 -149191.2343 300.6949 -183622.2767 -149098.4020 299.8535 -60.9948 -32.2749 558144.1801 19.2251 19.2113 PRESSURE: 321200 -24.8399 -4.45004 2.11637 -4.44913 -15.8044 16.8949 2.11528 16.8949 -83.5784 GPRESSURE: 321200 -23.5738 -72.5898 -45.2048 9.92334 9.66906 95.9007 72.0359 9.32086 -7.83444 PRESSAVG: 321200 24.5614 0.738968 -56.8663 0.73891 -12.5446 19.1571 -56.8663 19.157 -19.3466 GPRESSAVG: 321200 24.883 1.45124 -56.1468 1.17472 -12.4327 18.7824 -57.4705 20.707 -19.0796 TIMING: 321200 CPU: 950.008, 0.0029556/step Wall: 950.008, 0.0029556/step, 3.84129 hours remaining, 204.000000 MB of memory in use. ENERGY: 321200 762.5023 2116.6292 1950.3582 127.2585 -206548.0316 17962.9508 0.0000 0.0000 34244.8254 -149383.5071 299.0686 -183628.3326 -149292.0629 298.6446 -41.4076 -7.2464 557285.1690 -2.4433 -2.2098 PRESSURE: 321400 -212.769 4.09954 -31.5776 4.09979 -433.036 -72.9055 -31.5777 -72.904 -326.154 GPRESSURE: 321400 -171.313 7.49521 27.2903 6.51758 -409.243 -70.5579 -127.393 92.4222 -288.552 PRESSAVG: 321400 -10.5943 -17.5931 -6.92568 -17.593 0.88711 23.5115 -6.92564 23.5116 -34.0577 GPRESSAVG: 321400 -10.5799 -17.6199 -7.22984 -17.9864 1.5838 23.3325 -5.42497 21.9359 -34.4298 TIMING: 321400 CPU: 950.593, 0.00292858/step Wall: 950.593, 0.00292858/step, 3.80602 hours remaining, 204.000000 MB of memory in use. ENERGY: 321400 792.0661 2089.3474 1945.9613 108.8847 -205623.7880 17287.8612 0.0000 0.0000 34087.1944 -149312.4728 297.6919 -183399.6673 -149220.0696 298.7986 -323.9861 -289.7026 557046.2719 -14.5883 -14.4753 PRESSURE: 321600 233.859 27.6877 43.2499 27.6884 141.146 -3.05018 43.2496 -3.05001 -126.148 GPRESSURE: 321600 272.081 -81.7861 5.50667 39.4439 158.149 -37.9537 25.1411 4.19428 -87.1229 PRESSAVG: 321600 34.533 -28.6421 -7.31905 -28.6421 -4.32653 21.4116 -7.31895 21.4116 -62.8909 GPRESSAVG: 321600 35.0542 -29.6081 -7.1087 -28.872 -5.67192 21.6082 -8.15766 22.6161 -62.1418 TIMING: 321600 CPU: 951.182, 0.0029414/step Wall: 951.182, 0.0029414/step, 3.82252 hours remaining, 204.000000 MB of memory in use. ENERGY: 321600 759.4207 2153.5366 1951.2516 105.5376 -206593.6984 18085.2442 0.0000 0.0000 34225.7589 -149312.9488 298.9021 -183538.7077 -149218.0803 298.7391 82.9524 114.3690 556926.4093 -10.8948 -10.9198 PRESSURE: 321800 -224.65 -29.2674 65.9348 -29.2676 44.4193 -131.901 65.9357 -131.902 226.079 GPRESSURE: 321800 -185.399 -17.2465 58.7879 -54.2796 96.5542 -170.129 94.7685 -154.595 238.664 PRESSAVG: 321800 -11.9895 39.4371 33.6586 39.4371 4.6374 31.2563 33.6586 31.2563 -23.3587 GPRESSAVG: 321800 -11.8118 39.2998 33.5012 40.8965 4.46535 30.9356 34.1826 30.1749 -23.9947 TIMING: 321800 CPU: 951.774, 0.00296177/step Wall: 951.774, 0.00296177/step, 3.84882 hours remaining, 204.000000 MB of memory in use. ENERGY: 321800 773.5454 2091.3103 1955.2868 118.4821 -206254.3526 17933.1467 0.0000 0.0000 34187.1835 -149195.3977 298.5652 -183382.5811 -149088.9358 299.4790 15.2828 49.9397 557681.4115 -10.2369 -10.4470 PRESSURE: 322000 94.9217 84.8328 -85.4667 84.8334 9.94724 -59.8305 -85.4663 -59.8299 65.6985 GPRESSURE: 322000 130.54 185.469 -152.831 75.2958 61.5609 33.539 -54.9516 -116.909 74.168 PRESSAVG: 322000 -7.31817 8.89668 3.96739 8.89661 1.61046 -47.1709 3.96738 -47.171 3.35909 GPRESSAVG: 322000 -6.92483 10.1015 4.56316 8.13702 2.87577 -44.9711 3.63927 -49.2199 1.80368 TIMING: 322000 CPU: 952.366, 0.00295868/step Wall: 952.366, 0.00295868/step, 3.84464 hours remaining, 204.000000 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: 322000 780.3972 2134.8129 1964.0372 111.5672 -206190.9815 17930.2756 0.0000 0.0000 34195.8048 -149074.0867 298.6405 -183269.8915 -148975.7509 299.4042 56.8558 88.7563 556776.9991 -0.7829 -0.7485 PRESSURE: 322200 240.631 88.5087 -79.5198 88.5094 -7.75388 -101.833 -79.5198 -101.834 -41.5082 GPRESSURE: 322200 208.877 64.9408 -84.5829 87.6347 78.4445 -17.687 -139.855 -71.6166 3.75597 PRESSAVG: 322200 43.6759 -9.44951 61.2287 -9.44955 23.7582 23.1276 61.2289 23.1276 -58.9275 GPRESSAVG: 322200 43.0237 -10.4164 59.8594 -9.06812 22.2745 20.2767 62.413 25.6697 -57.0924 TIMING: 322200 CPU: 952.957, 0.00295637/step Wall: 952.957, 0.00295637/step, 3.84148 hours remaining, 204.000000 MB of memory in use. ENERGY: 322200 728.4549 2097.0451 1944.2302 121.6402 -206159.3114 17835.7907 0.0000 0.0000 34523.5916 -148908.5589 301.5031 -183432.1504 -148811.6927 300.2723 63.7897 97.0259 556705.7072 2.8355 2.7353 PRESSURE: 322400 14.0304 27.2502 -9.3169 27.2494 -67.8461 -87.5373 -9.31701 -87.5372 338.619 GPRESSURE: 322400 69.8285 20.6032 45.2644 5.6736 29.7273 -120.336 -11.6527 -27.1426 276.78 PRESSAVG: 322400 -4.84317 -0.890646 -39.6134 -0.890731 22.8441 21.9771 -39.6134 21.9771 -48.3673 GPRESSAVG: 322400 -5.40274 -0.918856 -38.0905 -0.611075 23.2689 23.3021 -41.372 23.6196 -48.4726 TIMING: 322400 CPU: 953.547, 0.00295127/step Wall: 953.547, 0.00295127/step, 3.83468 hours remaining, 204.000000 MB of memory in use. ENERGY: 322400 750.5692 2074.9293 1954.7705 111.7073 -206114.5450 17905.8292 0.0000 0.0000 34542.3554 -148774.3842 301.6670 -183316.7396 -148682.4836 300.4709 94.9345 125.4452 555888.6370 -10.1221 -10.2021 PRESSURE: 322600 16.9784 -7.53283 93.337 -7.53442 100.883 -245.383 93.3368 -245.383 112.266 GPRESSURE: 322600 26.0662 13.2645 43.6274 -63.8443 119 -280.575 110.712 -230.634 184 PRESSAVG: 322600 31.0549 -17.1097 36.2099 -17.1098 -35.5762 38.7885 36.2098 38.7884 21.8038 GPRESSAVG: 322600 30.3182 -17.2781 35.3049 -16.6625 -34.4211 36.245 38.0156 35.7024 21.391 TIMING: 322600 CPU: 954.137, 0.00294893/step Wall: 954.137, 0.00294893/step, 3.83148 hours remaining, 204.000000 MB of memory in use. ENERGY: 322600 744.8694 2114.3068 1944.4555 115.2212 -205700.6023 17699.7651 0.0000 0.0000 34313.5275 -148768.4568 299.6686 -183081.9843 -148667.9675 300.7096 76.7092 109.6887 556788.9825 5.7608 5.7627 PRESSURE: 322800 -255.687 -25.7616 90.6505 -25.7621 -240.057 59.9908 90.6516 59.9924 -14.4056 GPRESSURE: 322800 -263.99 30.3966 61.3835 -91.5122 -137.282 15.1433 108.317 119.978 -1.3859 PRESSAVG: 322800 26.0765 -25.0579 -20.8388 -25.0579 -9.42051 -39.1578 -20.8389 -39.1577 -14.4974 GPRESSAVG: 322800 26.5556 -23.9436 -20.0307 -27.0054 -9.7932 -35.8019 -21.2743 -37.8243 -14.0507 TIMING: 322800 CPU: 954.731, 0.00296845/step Wall: 954.731, 0.00296845/step, 3.85668 hours remaining, 204.199219 MB of memory in use. ENERGY: 322800 782.4421 2055.2092 1978.8023 118.9569 -205909.8824 17572.4910 0.0000 0.0000 34523.7052 -148878.2757 301.5041 -183401.9809 -148783.2639 300.7066 -170.0497 -134.2193 556818.4838 0.7195 0.9039 PRESSURE: 323000 -165.661 88.2046 98.7747 88.2043 -187.268 -4.64229 98.7742 -4.64244 -213.23 GPRESSURE: 323000 -146.346 -5.67213 98.44 180.906 -166.799 -15.3374 108.518 -12.1693 -151.918 PRESSAVG: 323000 -8.63202 34.8643 42.1405 34.8642 0.0575854 14.3986 42.1406 14.3988 24.5896 GPRESSAVG: 323000 -6.73473 36.474 42.1115 36.5263 -1.08809 13.7461 42.1813 12.4787 23.874 TIMING: 323000 CPU: 955.334, 0.00301464/step Wall: 955.334, 0.00301464/step, 3.91652 hours remaining, 204.199219 MB of memory in use. ENERGY: 323000 742.4117 2088.5008 1980.5075 116.6828 -205347.7274 17365.6390 0.0000 0.0000 34309.4582 -148744.5274 299.6330 -183053.9856 -148645.4212 300.7978 -188.7196 -155.0210 558930.5562 5.3384 5.3504 PRESSURE: 323200 78.095 249.031 -164.016 249.029 -79.5703 -4.31922 -164.015 -4.31998 -343.637 GPRESSURE: 323200 121.284 273.352 -49.6245 192.077 -20.168 32.3542 -216.092 -36.2024 -349.717 PRESSAVG: 323200 27.1703 11.0628 9.50151 11.0627 15.4782 27.4703 9.50159 27.4702 -47.9766 GPRESSAVG: 323200 26.2729 10.0656 9.02459 9.80285 15.7971 27.0875 9.35346 28.0509 -47.9187 TIMING: 323200 CPU: 955.931, 0.00298746/step Wall: 955.931, 0.00298746/step, 3.88105 hours remaining, 204.199219 MB of memory in use. ENERGY: 323200 775.2689 2122.2076 1967.4783 115.1389 -205679.3629 17638.8166 0.0000 0.0000 34378.7305 -148681.7221 300.2380 -183060.4526 -148590.5758 300.2998 -115.0373 -82.8672 558459.0315 -1.7760 -1.9496 PRESSURE: 323400 144.407 83.7705 140.035 83.7689 291.706 -173.652 140.035 -173.652 105.57 GPRESSURE: 323400 161.307 102.962 199.865 22.2043 306.446 -185.069 86.1152 -228.798 172.889 PRESSAVG: 323400 -0.349566 -3.06205 19.5703 -3.06199 1.59529 -14.3205 19.5703 -14.3204 22.6601 GPRESSAVG: 323400 -0.858724 -3.61532 19.5883 -3.18338 1.99447 -14.0191 20.123 -13.53 22.2518 TIMING: 323400 CPU: 956.527, 0.00297981/step Wall: 956.527, 0.00297981/step, 3.87094 hours remaining, 204.199219 MB of memory in use. ENERGY: 323400 758.7042 2108.7297 1968.3010 105.4694 -205813.9346 18010.7811 0.0000 0.0000 34159.7307 -148702.2185 298.3254 -182861.9491 -148611.9548 300.6374 180.5609 213.5473 557653.7857 7.9686 7.7959 PRESSURE: 323600 164.55 9.82144 38.5002 9.82283 200.978 -58.8853 38.5004 -58.8852 36.6856 GPRESSURE: 323600 220.101 40.3423 -39.8511 -6.6403 229.695 -67.9237 26.196 -99.6597 43.4727 PRESSAVG: 323600 48.1049 26.2957 27.5937 26.2958 -17.6942 -59.9658 27.5936 -59.9657 -12.9525 GPRESSAVG: 323600 46.9901 26.1695 27.3496 26.9449 -18.0119 -60.0368 26.3027 -59.3002 -11.6396 TIMING: 323600 CPU: 957.123, 0.00298072/step Wall: 957.123, 0.00298072/step, 3.87195 hours remaining, 204.199219 MB of memory in use. ENERGY: 323600 725.9887 2127.1768 1952.1368 115.9982 -205975.1156 17991.5963 0.0000 0.0000 34323.9587 -148738.2602 299.7597 -183062.2189 -148655.1051 300.7981 134.0714 164.4226 558756.5588 5.8194 5.7795 PRESSURE: 323800 82.5864 -69.5423 29.245 -69.5404 -175.551 83.5977 29.2441 83.5986 48.8093 GPRESSURE: 323800 129.321 -15.9919 31.8903 -126.308 -130.937 13.5739 13.406 75.1629 63.4017 PRESSAVG: 323800 79.8074 -17.0019 29.4 -17.0019 -96.259 -26.2706 29.4 -26.2705 26.3326 GPRESSAVG: 323800 81.0831 -17.5902 28.0276 -15.7296 -96.8441 -28.7604 30.8469 -25.5866 26.0544 TIMING: 323800 CPU: 957.716, 0.00296226/step Wall: 957.716, 0.00296226/step, 3.84781 hours remaining, 204.199219 MB of memory in use. ENERGY: 323800 719.8874 2119.2937 1950.8949 127.2527 -205957.0275 17860.6947 0.0000 0.0000 34501.8245 -148677.1797 301.3130 -183179.0043 -148583.2566 300.5532 -14.7185 20.5952 558449.3093 3.2937 3.4311 PRESSURE: 324000 -165.589 -90.4466 -21.6235 -90.4474 -239.389 82.526 -21.6251 82.5258 216.498 GPRESSURE: 324000 -116.88 -52.3245 -39.8179 -36.7816 -213.049 178.983 38.1943 21.8405 241.491 PRESSAVG: 324000 71.4309 64.0407 -40.9496 64.0407 -111.485 49.6866 -40.9497 49.6866 91.6006 GPRESSAVG: 324000 72.1998 64.8469 -36.9457 63.4034 -111.553 50.81 -44.299 48.7211 90.7623 TIMING: 324000 CPU: 958.309, 0.00296417/step Wall: 958.309, 0.00296417/step, 3.85013 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: 324000 770.9488 2106.2382 1952.4699 117.0618 -205618.7300 17500.1127 0.0000 0.0000 34423.0416 -148748.8572 300.6250 -183171.8987 -148658.8682 300.1730 -62.8269 -29.4793 559350.5560 17.1820 17.1364 PRESSURE: 324200 45.2759 62.2736 -133.171 62.2747 -38.9541 77.654 -133.171 77.655 88.713 GPRESSURE: 324200 78.1447 46.1399 -141.644 51.9628 -0.181536 133.933 -131.053 -19.0291 122.793 PRESSAVG: 324200 30.1 51.4504 2.18213 51.4503 -26.9829 50.609 2.18214 50.6089 31.4104 GPRESSAVG: 324200 29.4862 52.0713 -1.59247 51.4621 -26.0636 51.2875 3.3217 51.1234 31.3573 TIMING: 324200 CPU: 958.9, 0.00295824/step Wall: 958.9, 0.00295824/step, 3.84226 hours remaining, 204.199219 MB of memory in use. ENERGY: 324200 761.8979 2064.3285 1931.3694 128.7960 -205928.2746 17688.4018 0.0000 0.0000 34339.8620 -149013.6191 299.8986 -183353.4810 -148918.3841 300.3979 31.6783 66.9187 557101.1987 11.5091 11.5933 LDB: ============= START OF LOAD BALANCING ============== 962.327 LDB: ============== END OF LOAD BALANCING =============== 962.327 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 962.329 LDB: ============= START OF LOAD BALANCING ============== 962.626 LDB: Largest compute 4848 load 0.030194 is 25.7% of average load 0.117599 LDB: Average compute 0.001728 is 1.5% of average load 0.117599 LDB: TIME 962.629 LOAD: AVG 0.117599 MAX 0.198302 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.109 MB LDB: TIME 962.629 LOAD: AVG 0.117599 MAX 0.198302 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.168 MB LDB: TIME 962.629 LOAD: AVG 0.117599 MAX 0.198302 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.168 MB LDB: ============== END OF LOAD BALANCING =============== 962.631 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 962.635 PRESSURE: 324400 -63.4349 122.892 -59.3143 122.892 94.7599 -145.608 -59.3142 -145.607 -103.835 GPRESSURE: 324400 -17.2849 121.273 -46.3653 111.078 81.6968 -159.386 -25.1983 -132.434 -50.7006 PRESSAVG: 324400 6.29633 38.2534 -39.293 38.2534 -28.8816 -11.3545 -39.293 -11.3543 7.42027 GPRESSAVG: 324400 5.72753 38.2901 -40.6079 37.4617 -30.1075 -11.0654 -34.8426 -10.9157 8.60132 TIMING: 324400 CPU: 959.505, 0.00302434/step Wall: 959.505, 0.00302434/step, 3.92795 hours remaining, 202.757812 MB of memory in use. ENERGY: 324400 722.9085 2069.9715 1971.5342 115.8601 -206190.6937 17802.4750 0.0000 0.0000 34371.3356 -149136.6088 300.1734 -183507.9444 -149043.2071 299.8763 -24.1699 4.5704 556945.3304 -5.0550 -5.2596 PRESSURE: 324600 -239.295 43.8397 -95.0441 43.8411 235.875 127.976 -95.0432 127.975 48.0521 GPRESSURE: 324600 -217.107 146.586 -67.4711 47.6315 230.136 40.7474 -130.081 157.778 113.083 PRESSAVG: 324600 -32.8817 44.4721 28.6704 44.4722 -19.9719 -18.7546 28.6704 -18.7547 89.2302 GPRESSAVG: 324600 -32.9148 45.1514 31.4116 44.0813 -20.695 -19.5523 25.7204 -18.4395 89.1921 TIMING: 324600 CPU: 960.095, 0.00295033/step Wall: 960.095, 0.00295033/step, 3.83166 hours remaining, 202.757812 MB of memory in use. ENERGY: 324600 753.4090 2120.3000 1948.8738 119.8705 -205672.8827 17664.0267 0.0000 0.0000 34067.8740 -148998.5287 297.5232 -183066.4027 -148899.3117 299.3805 14.8774 42.0375 558290.7534 12.1255 11.8608 PRESSURE: 324800 22.8599 -71.4349 12.0025 -71.4349 -59.1125 -38.0965 12.0026 -38.0954 -32.3577 GPRESSURE: 324800 69.0131 -70.6614 -2.64258 -152.304 -27.0978 5.57759 18.0774 -176.434 -24.3728 PRESSAVG: 324800 -38.11 10.1635 42.0011 10.1635 16.769 17.3554 42.0012 17.3553 -1.53806 GPRESSAVG: 324800 -38.8447 8.49213 40.2693 9.3425 18.1634 18.942 41.7804 16.6413 -2.25287 TIMING: 324800 CPU: 960.688, 0.00296396/step Wall: 960.688, 0.00296396/step, 3.8492 hours remaining, 202.757812 MB of memory in use. ENERGY: 324800 760.4518 2063.0111 1983.0453 114.0449 -205916.6378 17551.0318 0.0000 0.0000 34287.7625 -149157.2904 299.4436 -183445.0529 -149060.0814 299.8672 -22.8701 5.8475 556710.8943 -7.6263 -7.6448 PRESSURE: 325000 -178.576 -143.575 108.748 -143.575 -171.451 41.8665 108.749 41.8657 -215.871 GPRESSURE: 325000 -149.179 -127.616 111.467 -23.8381 -159.975 6.73615 206.825 30.746 -160.729 PRESSAVG: 325000 23.4504 -45.6983 34.6515 -45.6983 23.6768 12.9091 34.6517 12.9093 -67.3859 GPRESSAVG: 325000 24.1053 -44.6889 35.0323 -45.6226 23.3648 11.7396 36.9813 12.0951 -67.7592 TIMING: 325000 CPU: 961.285, 0.00298255/step Wall: 961.285, 0.00298255/step, 3.87317 hours remaining, 202.757812 MB of memory in use. ENERGY: 325000 729.8241 2108.5574 1969.7232 113.5409 -205604.3032 17429.1996 0.0000 0.0000 34147.8777 -149105.5804 298.2219 -183253.4581 -149007.2689 298.8636 -188.6326 -156.6276 559704.6579 -6.7529 -6.7630 PRESSURE: 325200 148.874 -133.331 225.883 -133.331 -62.5011 37.5313 225.881 37.5302 -63.7549 GPRESSURE: 325200 135.726 -216.636 77.614 -120.733 -20.2894 47.8634 250.337 41.8196 9.62063 PRESSAVG: 325200 7.86594 -10.4164 33.0009 -10.4165 30.1983 -38.7223 33.0009 -38.7223 -33.7454 GPRESSAVG: 325200 8.2771 -11.1556 33.5292 -10.0474 28.953 -36.4048 31.2181 -39.7308 -32.9962 TIMING: 325200 CPU: 961.878, 0.00296658/step Wall: 961.878, 0.00296658/step, 3.85226 hours remaining, 202.757812 MB of memory in use. ENERGY: 325200 786.7080 2074.5481 1963.0985 111.0718 -206548.4060 18186.9806 0.0000 0.0000 34221.9358 -149204.0631 298.8687 -183425.9990 -149105.4491 299.0781 7.5393 41.6857 559270.9830 1.4396 1.4113 PRESSURE: 325400 -400.382 82.6916 27.4023 82.6918 -133.698 -143.507 27.403 -143.509 -238.062 GPRESSURE: 325400 -339.229 170.39 -73.6571 67.634 -149.871 -63.198 44.0175 -109.487 -188.726 PRESSAVG: 325400 -1.52879 -3.10334 59.1631 -3.10336 -6.96859 15.0016 59.1631 15.0016 -64.2353 GPRESSAVG: 325400 -1.95319 -2.7344 60.2698 -3.19889 -5.64922 11.5439 59.5387 17.7645 -64.7643 TIMING: 325400 CPU: 962.465, 0.00293729/step Wall: 962.465, 0.00293729/step, 3.81407 hours remaining, 202.757812 MB of memory in use. ENERGY: 325400 783.8813 2010.6866 1942.5240 113.3272 -205895.0859 17502.0453 0.0000 0.0000 34351.0951 -149191.5264 299.9967 -183542.6215 -149094.3858 299.2238 -257.3810 -225.9417 558434.1071 -24.2442 -24.1223 PRESSURE: 325600 20.922 -81.1249 116.126 -81.1235 -89.5061 37.2193 116.126 37.2188 -53.5402 GPRESSURE: 325600 43.5289 -105.13 70.0153 35.7987 -96.3898 -37.8681 106.18 42.8896 30.3818 PRESSAVG: 325600 -17.2914 64.2539 32.3818 64.2539 9.73203 16.2404 32.3817 16.2404 21.8342 GPRESSAVG: 325600 -16.8886 64.1804 31.6013 64.9181 8.62635 15.4715 33.3456 15.4056 22.0926 TIMING: 325600 CPU: 963.053, 0.00293706/step Wall: 963.053, 0.00293706/step, 3.81361 hours remaining, 202.757812 MB of memory in use. ENERGY: 325600 767.5226 2057.9203 1970.0162 121.7714 -206073.9558 17806.6640 0.0000 0.0000 34330.6579 -149019.4032 299.8182 -183350.0611 -148924.4765 299.5058 -40.7081 -7.4930 557428.5128 4.7583 4.6101 PRESSURE: 325800 -370.968 -11.1673 -59.4982 -11.1677 3.90217 39.5192 -59.4976 39.5195 6.97453 GPRESSURE: 325800 -306.655 4.65784 -7.05562 -36.3012 15.3592 174.005 -101.058 47.3835 24.1968 PRESSAVG: 325800 -15.1916 -58.5216 24.5194 -58.5216 -6.44354 23.9431 24.5195 23.9431 14.8955 GPRESSAVG: 325800 -14.292 -57.9215 24.9561 -58.6782 -6.33316 26.7105 22.3194 24.4648 14.1936 TIMING: 325800 CPU: 963.644, 0.00295486/step Wall: 963.644, 0.00295486/step, 3.83656 hours remaining, 202.757812 MB of memory in use. ENERGY: 325800 746.8018 2062.7782 1947.0871 116.6211 -205825.5655 17720.5872 0.0000 0.0000 34273.9246 -148957.7655 299.3227 -183231.6901 -148856.0999 299.4669 -120.0305 -89.0329 557590.1847 -2.2465 -2.1438 PRESSURE: 326000 107.87 68.2614 -14.2852 68.2628 -100.087 155.039 -14.2869 155.039 77.3012 GPRESSURE: 326000 120.391 93.6607 -51.3712 36.8907 -58.999 286.66 59.6551 83.7471 132.717 PRESSAVG: 326000 -33.826 4.93014 -30.2363 4.93 14.7192 54.3534 -30.2364 54.3534 -4.6805 GPRESSAVG: 326000 -35.3174 3.9893 -29.9238 3.2787 16.7926 53.8994 -28.8079 53.2086 -4.59513 TIMING: 326000 CPU: 964.234, 0.00294958/step Wall: 964.234, 0.00294958/step, 3.82954 hours remaining, 202.757812 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: 326000 721.7121 2107.8729 1971.8440 118.5543 -206064.7096 17785.0766 0.0000 0.0000 34519.0241 -148840.6257 301.4632 -183359.6498 -148745.0475 300.0616 28.3612 64.7030 558039.6260 -7.9291 -7.7066 PRESSURE: 326200 -130.35 -10.2535 -46.766 -10.2536 134.543 -62.654 -46.766 -62.6541 209.284 GPRESSURE: 326200 -24.3849 -41.1658 -107.232 -16.1143 137.544 14.9074 -29.4621 -97.2609 205.681 PRESSAVG: 326200 -17.4622 61.2808 31.2787 61.2808 -42.9705 -7.11813 31.2787 -7.11808 34.1296 GPRESSAVG: 326200 -16.2226 62.5866 31.173 62.4172 -44.0783 -6.24053 30.8508 -9.61262 34.2789 TIMING: 326200 CPU: 964.822, 0.00294183/step Wall: 964.822, 0.00294183/step, 3.81932 hours remaining, 202.757812 MB of memory in use. ENERGY: 326200 763.1472 2102.3579 1952.1778 117.8437 -206171.7571 17843.1941 0.0000 0.0000 34493.8488 -148899.1875 301.2434 -183393.0363 -148804.4481 300.3532 71.1592 106.2802 556436.3115 -8.7677 -8.6740 PRESSURE: 326400 -321.36 51.0838 61.5765 51.085 -252.77 65.014 61.5771 65.0125 -618.78 GPRESSURE: 326400 -339.142 72.0709 61.9741 -21.2682 -204.823 83.0008 -18.2675 152.663 -560.034 PRESSAVG: 326400 19.556 -8.6011 -44.4778 -8.60121 -4.57794 16.4947 -44.4777 16.4946 -1.00079 GPRESSAVG: 326400 19.7316 -9.48459 -44.4194 -7.93246 -4.94334 14.9 -44.5044 20.1777 -0.665941 TIMING: 326400 CPU: 965.417, 0.00297383/step Wall: 965.417, 0.00297383/step, 3.86069 hours remaining, 202.757812 MB of memory in use. ENERGY: 326400 760.9220 2110.0633 1954.4427 110.7382 -205254.5936 17198.6078 0.0000 0.0000 34313.2644 -148806.5553 299.6663 -183119.8197 -148705.8875 299.8955 -397.6367 -367.9996 560154.8593 4.6591 4.7074 PRESSURE: 326600 -179.524 43.655 25.8583 43.6548 -88.7578 28.9522 25.8584 28.9532 -193.115 GPRESSURE: 326600 -155.242 62.8123 7.77044 70.6131 -51.0644 50.4407 72.5805 84.9648 -158 PRESSAVG: 326600 -3.05487 36.0038 -26.0246 36.0038 0.208376 71.1202 -26.0245 71.1201 5.11622 GPRESSAVG: 326600 -4.90786 35.6577 -25.8554 35.7009 1.72643 71.9345 -25.8794 69.9069 4.84619 TIMING: 326600 CPU: 966.009, 0.00296304/step Wall: 966.009, 0.00296304/step, 3.84652 hours remaining, 202.960938 MB of memory in use. ENERGY: 326600 771.3320 2062.8541 1933.7949 111.7147 -205886.9373 17750.4614 0.0000 0.0000 34205.9286 -149050.8518 298.7289 -183256.7803 -148951.9547 299.5857 -153.7989 -121.4354 557658.6438 0.7566 0.5549 PRESSURE: 326800 87.1288 36.1867 -48.895 36.1862 -24.2673 -63.7737 -48.8939 -63.7723 125.125 GPRESSURE: 326800 115.886 -36.5646 -46.545 145.646 43.1558 -136.418 -28.5668 33.1627 135.913 PRESSAVG: 326800 -68.4399 46.013 -24.5152 46.013 50.3348 -3.19107 -24.5152 -3.19103 -12.2026 GPRESSAVG: 326800 -68.3831 46.5644 -25.1029 46.3577 49.1092 -4.07302 -24.8787 -2.76908 -11.3096 TIMING: 326800 CPU: 966.604, 0.00297297/step Wall: 966.604, 0.00297297/step, 3.85925 hours remaining, 202.960938 MB of memory in use. ENERGY: 326800 759.7026 2147.4888 1939.6228 113.4266 -206210.4901 17888.8339 0.0000 0.0000 34347.3148 -149014.1006 299.9636 -183361.4153 -148919.7471 299.6054 62.6621 98.3180 557479.0200 -10.1026 -10.1945 PRESSURE: 327000 -295.697 176.014 125.412 176.015 -38.6992 85.7541 125.411 85.7537 -75.1939 GPRESSURE: 327000 -207.888 202.115 108.508 145.738 -7.78506 9.98254 94.828 156.444 -86.5292 PRESSAVG: 327000 85.9099 31.9891 19.8944 31.9891 -2.87691 19.917 19.8944 19.917 -48.4414 GPRESSAVG: 327000 86.0575 32.2765 19.9976 32.0403 -2.49131 21.0431 18.5449 18.7788 -48.7426 TIMING: 327000 CPU: 967.199, 0.00297676/step Wall: 967.199, 0.00297676/step, 3.86399 hours remaining, 202.960938 MB of memory in use. ENERGY: 327000 738.2141 2069.5458 1962.1825 109.9890 -206337.4770 17803.2985 0.0000 0.0000 34378.5320 -149275.7150 300.2363 -183654.2470 -149176.4715 299.1747 -136.5299 -100.7342 558742.7303 11.5305 11.6079 PRESSURE: 327200 -222.29 -7.85549 100.82 -7.85551 -184.256 3.5892 100.819 3.58796 26.3157 GPRESSURE: 327200 -183.163 52.9093 112.059 -78.3029 -108.098 44.3504 135.636 -5.92414 -4.99857 PRESSAVG: 327200 21.1123 46.3596 2.46633 46.3596 2.4928 107.606 2.46619 107.606 -14.0831 GPRESSAVG: 327200 21.5451 47.6329 2.7256 44.8735 3.54834 107.636 2.83554 106.699 -15.6766 TIMING: 327200 CPU: 967.792, 0.0029634/step Wall: 967.792, 0.0029634/step, 3.8465 hours remaining, 202.960938 MB of memory in use. ENERGY: 327200 781.4310 2128.2924 1950.7982 114.1523 -206056.3736 17710.5556 0.0000 0.0000 34099.0648 -149272.0792 297.7956 -183371.1440 -149186.8398 298.6467 -126.7434 -98.7533 558393.6318 3.1740 3.1390 PRESSURE: 327400 -52.5799 7.95835 191.557 7.959 -168.871 49.3913 191.559 49.3908 -25.6678 GPRESSURE: 327400 -25.893 1.10095 205.232 8.11622 -87.5983 76.1318 197.385 81.9244 -30.774 PRESSAVG: 327400 80.6872 -5.55895 29.6116 -5.55897 4.88942 11.0528 29.6117 11.0529 -85.2496 GPRESSAVG: 327400 79.9308 -8.64232 28.8533 -3.37343 3.82853 11.5618 30.1495 12.2168 -83.7358 TIMING: 327400 CPU: 968.384, 0.00296028/step Wall: 968.384, 0.00296028/step, 3.84228 hours remaining, 202.960938 MB of memory in use. ENERGY: 327400 734.2528 2112.2139 1947.4841 116.0997 -205824.0786 17604.7485 0.0000 0.0000 34231.8604 -149077.4192 298.9554 -183309.2796 -148978.8821 299.9463 -82.3729 -48.0884 558172.1472 0.1090 0.0078 PRESSURE: 327600 -113.262 -141.498 74.497 -141.498 -66.6715 -60.8757 74.4978 -60.874 -54.8069 GPRESSURE: 327600 -44.0098 -150.244 142.584 -42.307 -9.3099 -74.9563 112.532 -76.0022 -73.5097 PRESSAVG: 327600 19.5929 -85.9936 19.4008 -85.9936 54.1006 -7.63839 19.4008 -7.6383 -48.9575 GPRESSAVG: 327600 18.7317 -85.3528 18.9139 -87.0443 54.2426 -10.5218 20.8252 -8.29356 -48.513 TIMING: 327600 CPU: 968.973, 0.00294441/step Wall: 968.973, 0.00294441/step, 3.82152 hours remaining, 202.960938 MB of memory in use. ENERGY: 327600 729.3119 2126.5714 1934.6563 107.6034 -205827.1675 17615.5594 0.0000 0.0000 34320.7468 -148992.7183 299.7316 -183313.4651 -148901.0755 300.4667 -78.2468 -42.2765 558635.8638 8.2453 8.1538 PRESSURE: 327800 283.765 -40.3479 19.6057 -40.3485 74.9879 -9.65679 19.6055 -9.65413 74.4841 GPRESSURE: 327800 309.286 -107.188 43.617 20.5041 142.262 69.3132 11.2443 -111.605 74.9373 PRESSAVG: 327800 21.2531 -3.15793 -16.611 -3.15796 7.40974 -33.9849 -16.6109 -33.9848 -8.8678 GPRESSAVG: 327800 20.9679 -2.72109 -19.379 -3.26294 6.88163 -33.1779 -17.1212 -35.3521 -8.53443 TIMING: 327800 CPU: 969.561, 0.0029408/step Wall: 969.561, 0.0029408/step, 3.81666 hours remaining, 202.960938 MB of memory in use. ENERGY: 327800 750.1349 2159.3601 1954.1454 126.8363 -206395.3322 18101.8838 0.0000 0.0000 34285.1340 -149017.8378 299.4206 -183302.9717 -148925.3121 300.1454 144.4123 175.4950 557491.7834 6.5983 6.4384 PRESSURE: 328000 -297.443 -113.704 -156.725 -113.705 78.2235 -154.411 -156.725 -154.41 -31.7319 GPRESSURE: 328000 -214.127 -52.0161 -142.308 -140.45 95.0835 -95.7606 -104.03 -106.87 -50.2472 PRESSAVG: 328000 -5.83828 -41.6069 12.8699 -41.607 32.3641 -16.0309 12.8699 -16.0308 -47.6994 GPRESSAVG: 328000 -6.38634 -41.8031 14.6954 -41.6918 33.2488 -13.5539 13.0966 -15.2249 -48.6527 TIMING: 328000 CPU: 970.144, 0.00291477/step Wall: 970.144, 0.00291477/step, 3.78273 hours remaining, 202.960938 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: 328000 757.7415 2114.5991 1940.4618 111.5576 -206159.2252 17759.5810 0.0000 0.0000 34570.9677 -148904.3165 301.9169 -183475.2842 -148801.1638 300.6219 -83.6503 -56.4303 559012.6565 -7.0579 -7.2634 PRESSURE: 328200 58.2803 115.252 -38.967 115.252 -19.6046 12.5439 -38.968 12.5447 -80.8496 GPRESSURE: 328200 141.331 147.076 -65.5175 89.0805 -52.1418 60.486 -7.23795 -29.578 -42.8185 PRESSAVG: 328200 -35.9487 -4.65368 -19.4479 -4.65375 23.8897 25.6599 -19.4479 25.6601 5.53468 GPRESSAVG: 328200 -36.3193 -2.46824 -18.9013 -5.28825 21.7214 23.2565 -19.9265 26.611 7.77509 TIMING: 328200 CPU: 970.731, 0.00293691/step Wall: 970.731, 0.00293691/step, 3.81129 hours remaining, 202.960938 MB of memory in use. ENERGY: 328200 727.1511 2132.7180 1969.9999 119.9021 -205875.0101 17776.1532 0.0000 0.0000 34162.0335 -148987.0523 298.3455 -183149.0858 -148904.6895 300.4957 -14.0580 15.4570 558290.8600 -2.1748 -2.2743 LDB: ============= START OF LOAD BALANCING ============== 974.157 LDB: ============== END OF LOAD BALANCING =============== 974.157 LDB: =============== DONE WITH MIGRATION ================ 974.159 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 974.457 LDB: Largest compute 4848 load 0.030180 is 25.6% of average load 0.117778 LDB: Average compute 0.001728 is 1.5% of average load 0.117778 LDB: TIME 974.459 LOAD: AVG 0.117778 MAX 0.198931 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.668 MB LDB: TIME 974.459 LOAD: AVG 0.117778 MAX 0.198931 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.699 MB LDB: TIME 974.459 LOAD: AVG 0.117778 MAX 0.198931 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.699 MB LDB: ============== END OF LOAD BALANCING =============== 974.461 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 974.465 PRESSURE: 328400 -260.233 85.7118 -29.412 85.7127 -85.959 -9.89711 -29.4107 -9.8978 -156.638 GPRESSURE: 328400 -195.207 62.1752 -90.3226 49.9226 -60.682 -43.3591 37.7473 -35.8723 -153.086 PRESSAVG: 328400 -6.58319 46.0939 40.4172 46.0939 64.0529 9.34607 40.4171 9.34599 -56.5443 GPRESSAVG: 328400 -5.57993 45.0357 38.5849 46.2105 64.3767 10.018 40.7407 7.03798 -58.2669 TIMING: 328400 CPU: 971.336, 0.00302153/step Wall: 971.336, 0.00302153/step, 3.92094 hours remaining, 204.425781 MB of memory in use. ENERGY: 328400 774.7695 2073.1547 1927.8698 113.9045 -205684.7679 17464.4682 0.0000 0.0000 34459.8455 -148870.7557 300.9464 -183330.6012 -148771.7759 300.3910 -167.6100 -136.3250 557028.5032 0.3085 0.1766 PRESSURE: 328600 -81.2025 62.4458 -65.3706 62.4466 -175.883 123.071 -65.3713 123.072 -165.315 GPRESSURE: 328600 -115.449 21.7526 5.07943 127.912 -79.7045 61.8954 -117.717 77.2014 -131.105 PRESSAVG: 328600 -53.903 67.2347 36.3055 67.2347 43.7584 54.6942 36.3056 54.6942 -26.8909 GPRESSAVG: 328600 -54.4804 65.5322 39.898 69.8958 45.3942 54.6224 37.1976 56.6746 -28.0118 TIMING: 328600 CPU: 971.931, 0.00297662/step Wall: 971.931, 0.00297662/step, 3.86249 hours remaining, 204.750000 MB of memory in use. ENERGY: 328600 730.5040 2160.0140 1955.5084 125.4365 -205681.2205 17303.3455 0.0000 0.0000 34516.4583 -148889.9538 301.4408 -183406.4121 -148793.5721 300.3813 -140.8002 -108.7529 556658.4038 -12.3452 -12.3660 PRESSURE: 328800 110.241 153.878 -165.865 153.877 82.5675 19.666 -165.865 19.6665 -73.2205 GPRESSURE: 328800 122.16 223.911 -136.862 101.803 87.8696 83.3225 -110.726 23.8953 8.93316 PRESSAVG: 328800 -60.2292 24.0287 -42.7257 24.0287 100.772 63.8114 -42.7256 63.8115 -46.7825 GPRESSAVG: 328800 -59.8734 24.019 -44.999 22.7913 100.263 64.4991 -41.9336 62.5535 -46.6018 TIMING: 328800 CPU: 972.523, 0.00295724/step Wall: 972.523, 0.00295724/step, 3.83718 hours remaining, 204.750000 MB of memory in use. ENERGY: 328800 738.1511 2138.0152 1938.9406 119.5562 -206077.1335 17811.5933 0.0000 0.0000 34397.8866 -148932.9906 300.4053 -183330.8772 -148829.0446 299.8372 39.8628 72.9877 556038.3710 -2.0800 -2.0709 PRESSURE: 329000 54.9383 -24.2334 -91.8938 -24.2327 -142.573 -87.0464 -91.8935 -87.045 -157.146 GPRESSURE: 329000 114.397 41.6525 -100.205 1.05033 -103.501 -72.6331 -104.446 -73.1275 -147.229 PRESSAVG: 329000 42.587 -20.0358 -19.4633 -20.0358 38.1797 -9.51608 -19.4632 -9.51617 -100.939 GPRESSAVG: 329000 42.5882 -19.0337 -18.072 -18.1708 38.4714 -10.7133 -21.7491 -7.91574 -100.937 TIMING: 329000 CPU: 973.114, 0.00295898/step Wall: 973.114, 0.00295898/step, 3.83928 hours remaining, 204.750000 MB of memory in use. ENERGY: 329000 726.4849 2100.4227 1934.7315 114.4945 -205913.0313 17712.4198 0.0000 0.0000 34230.9703 -149093.5074 298.9476 -183324.4777 -148994.4271 299.7742 -81.5934 -45.4443 557962.3915 -6.7240 -6.6256 PRESSURE: 329200 -67.557 198.297 8.19199 198.297 -349.886 63.4712 8.19143 63.471 -121.571 GPRESSURE: 329200 7.52912 207.511 -29.672 166.155 -287.884 84.9258 92.6301 4.10411 -157.506 PRESSAVG: 329200 26.7716 30.1489 26.8388 30.1489 16.115 -4.67203 26.8388 -4.67197 -56.9368 GPRESSAVG: 329200 27.3638 30.6037 26.2143 27.0292 14.8229 -4.2911 26.6315 -5.56161 -56.5703 TIMING: 329200 CPU: 973.707, 0.00296163/step Wall: 973.707, 0.00296163/step, 3.84255 hours remaining, 204.750000 MB of memory in use. ENERGY: 329200 737.0790 2089.2906 1924.6566 119.1607 -205835.1554 17493.6084 0.0000 0.0000 34542.3320 -148929.0281 301.6668 -183471.3601 -148827.7809 299.6709 -179.6715 -145.9537 557485.4527 -4.6834 -4.7945 PRESSURE: 329400 324.115 88.0926 156.068 88.0926 76.9839 -33.9234 156.068 -33.923 -166.77 GPRESSURE: 329400 291.718 87.1906 149.073 18.4599 136.88 -30.7879 140.214 19.2402 -108.915 PRESSAVG: 329400 11.1364 15.5161 47.141 15.516 41.3841 -0.324984 47.1411 -0.325038 -22.0265 GPRESSAVG: 329400 9.40359 16.5924 47.3267 14.3937 42.2865 0.178 47.5281 0.693992 -21.2739 TIMING: 329400 CPU: 974.301, 0.00297198/step Wall: 974.301, 0.00297198/step, 3.85581 hours remaining, 204.750000 MB of memory in use. ENERGY: 329400 753.1693 2076.3708 1934.9715 110.8492 -206337.6017 17824.5249 0.0000 0.0000 34471.5769 -149166.1391 301.0489 -183637.7160 -149072.7415 300.2453 78.1094 106.5611 557195.7313 10.1647 10.1387 PRESSURE: 329600 -321.957 -115.736 208.423 -115.736 -161.681 -127.835 208.423 -127.835 -242.232 GPRESSURE: 329600 -289.932 -116.317 286.23 -42.6121 -120.164 -187.239 119.905 -114.338 -219.011 PRESSAVG: 329600 -17.8974 5.81866 22.1567 5.81862 21.704 -35.7581 22.1568 -35.7581 13.7512 GPRESSAVG: 329600 -17.585 4.93989 21.2414 8.39083 21.6985 -38.3425 22.4497 -35.8125 13.4622 TIMING: 329600 CPU: 974.895, 0.00296905/step Wall: 974.895, 0.00296905/step, 3.85184 hours remaining, 204.750000 MB of memory in use. ENERGY: 329600 740.5154 2062.5578 1946.0529 113.3710 -206037.9273 17621.4575 0.0000 0.0000 34259.9126 -149294.0600 299.2003 -183553.9726 -149187.9872 299.0757 -241.9566 -209.7021 559306.8037 5.8526 5.8586 PRESSURE: 329800 -156.82 -0.230396 63.1647 -0.231438 0.619068 52.0561 63.1637 52.056 133.056 GPRESSURE: 329800 -74.3098 7.41852 49.3127 -20.2993 5.27908 105.78 83.8136 43.1193 136.616 PRESSAVG: 329800 52.1104 -31.054 -18.9772 -31.054 7.91389 1.23914 -18.9772 1.23917 -26.523 GPRESSAVG: 329800 53.6798 -30.4467 -17.9072 -32.9229 6.18799 3.37404 -19.5867 0.495945 -26.7586 TIMING: 329800 CPU: 975.489, 0.00297083/step Wall: 975.489, 0.00297083/step, 3.85399 hours remaining, 204.750000 MB of memory in use. ENERGY: 329800 720.3782 2080.0841 1946.6340 112.0584 -205983.1037 17637.0057 0.0000 0.0000 34160.5168 -149326.4264 298.3323 -183486.9432 -149229.2064 298.7049 -7.7147 22.5283 558999.3076 11.1671 11.0364 PRESSURE: 330000 13.9803 -199.82 20.546 -199.819 -36.3231 58.3635 20.5448 58.3629 -126.376 GPRESSURE: 330000 73.5771 -202.271 66.288 -239.2 8.85193 -21.3326 -3.22078 67.4203 -133.627 PRESSAVG: 330000 35.537 -16.911 18.7333 -16.911 2.76592 13.8258 18.7333 13.8257 -35.9483 GPRESSAVG: 330000 33.9012 -16.5052 16.9987 -17.6716 4.44237 14.0614 17.4923 13.2241 -35.439 TIMING: 330000 CPU: 976.085, 0.00297827/step Wall: 976.085, 0.00297827/step, 3.86348 hours remaining, 204.750000 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: 330000 713.7408 2066.5014 1939.9645 102.7085 -206037.2405 17517.3255 0.0000 0.0000 34333.2653 -149363.7345 299.8409 -183696.9999 -149263.4623 298.5159 -49.5730 -17.0660 556449.6243 0.7849 0.9682 PRESSURE: 330200 -36.3759 177.404 4.35409 177.404 17.5946 1.08397 4.3524 1.08387 509.702 GPRESSURE: 330200 -11.3834 241.302 -12.7609 227.778 70.9633 -5.33965 -78.7973 -10.3803 528.607 PRESSAVG: 330200 22.2862 -39.5298 7.10993 -39.5298 -72.8538 20.3177 7.10992 20.3177 34.8583 GPRESSAVG: 330200 22.2207 -40.2158 8.09651 -37.8151 -73.2693 18.8245 8.21063 22.9267 35.1703 TIMING: 330200 CPU: 976.675, 0.00295123/step Wall: 976.675, 0.00295123/step, 3.82824 hours remaining, 204.750000 MB of memory in use. ENERGY: 330200 747.6904 2070.6094 1966.0882 105.7561 -206779.3065 18175.7132 0.0000 0.0000 34452.1969 -149261.2522 300.8796 -183713.4492 -149173.6941 299.7175 163.6402 196.0623 557585.3815 -5.2365 -5.2928 PRESSURE: 330400 341.152 -42.6225 -197.412 -42.6235 6.12252 133.861 -197.413 133.864 -266.185 GPRESSURE: 330400 364.444 -31.8862 -200.093 -86.0986 -2.83166 181.112 -165.316 78.8061 -189.553 PRESSAVG: 330400 23.8823 32.8994 10.3518 32.8995 8.05187 -38.5805 10.3517 -38.5804 -19.3819 GPRESSAVG: 330400 24.6419 33.1437 11.5845 33.6769 7.04875 -38.9008 9.73533 -41.5142 -19.4074 TIMING: 330400 CPU: 977.266, 0.00295411/step Wall: 977.266, 0.00295411/step, 3.83181 hours remaining, 204.750000 MB of memory in use. ENERGY: 330400 723.9481 2039.9974 1972.3920 108.1751 -206316.3428 17885.9706 0.0000 0.0000 34294.2710 -149291.5886 299.5004 -183585.8596 -149188.0623 299.4171 27.0298 57.3530 556959.5415 4.1841 4.0944 PRESSURE: 330600 163.649 -110.485 -128.727 -110.484 163.1 6.81348 -128.726 6.81359 181.211 GPRESSURE: 330600 178.875 -93.9 -37.2221 -63.2961 240.032 16.1493 -166.062 -21.3392 185.78 PRESSAVG: 330600 68.4404 -25.6486 -4.37315 -25.6486 -11.2005 55.2574 -4.37312 55.2574 -61.7334 GPRESSAVG: 330600 68.3273 -26.3974 -5.11693 -26.95 -10.0622 56.5782 -5.39092 56.4271 -62.7599 TIMING: 330600 CPU: 977.858, 0.00296136/step Wall: 977.858, 0.00296136/step, 3.84105 hours remaining, 204.750000 MB of memory in use. ENERGY: 330600 721.0185 2039.8566 1932.8381 117.3511 -206791.8722 18223.8556 0.0000 0.0000 34488.0157 -149268.9366 301.1924 -183756.9523 -149171.1604 299.4922 169.3198 201.5620 556091.2922 -1.4978 -1.4983 PRESSURE: 330800 -14.6391 -79.8181 -117.435 -79.8184 -86.7812 -7.26711 -117.433 -7.26777 -259.559 GPRESSURE: 330800 27.0802 -18.2403 -123.08 -128.413 -94.7227 6.03824 -33.6374 32.4999 -194.138 PRESSAVG: 330800 38.2523 -2.64784 18.9069 -2.64788 11.1803 6.4703 18.9069 6.47032 16.5243 GPRESSAVG: 330800 38.6485 -3.14588 19.7827 -4.2414 10.6786 4.45945 18.9893 6.99558 16.8815 TIMING: 330800 CPU: 978.446, 0.00294124/step Wall: 978.446, 0.00294124/step, 3.81479 hours remaining, 204.750000 MB of memory in use. ENERGY: 330800 788.7849 2075.6773 1959.7795 104.1557 -206178.9649 17744.7458 0.0000 0.0000 34277.1898 -149228.6319 299.3512 -183505.8217 -149132.2307 299.4815 -120.3265 -87.2602 558933.3204 21.9857 22.0695 PRESSURE: 331000 -301.971 -74.2692 75.0076 -74.2682 -23.5511 -86.7316 75.009 -86.7326 16.5833 GPRESSURE: 331000 -304.235 -48.741 120.619 -65.0016 16.34 -91.9824 96.8289 -151.477 75.3312 PRESSAVG: 331000 14.9804 33.1268 15.2892 33.1269 24.8454 22.4096 15.2891 22.4097 -18.1969 GPRESSAVG: 331000 15.0857 33.9926 15.4572 34.3866 25.0672 20.041 15.1255 23.4432 -18.2879 TIMING: 331000 CPU: 979.036, 0.0029478/step Wall: 979.036, 0.0029478/step, 3.82314 hours remaining, 204.750000 MB of memory in use. ENERGY: 331000 714.0614 2081.3883 1936.6727 112.5013 -206329.3443 17832.0125 0.0000 0.0000 34293.8615 -149358.8467 299.4968 -183652.7081 -149263.2623 299.4136 -102.9796 -70.8547 557666.0418 7.2096 7.2883 PRESSURE: 331200 -197.317 80.5261 -37.2201 80.5266 -68.0258 -59.5233 -37.2197 -59.524 277.425 GPRESSURE: 331200 -116.034 136.276 -35.3907 21.8041 -65.6208 -51.3998 -63.3786 -19.3661 285.317 PRESSAVG: 331200 -27.3209 -26.8869 1.79166 -26.8868 -20.8018 22.7701 1.79165 22.7701 29.4619 GPRESSAVG: 331200 -26.6948 -28.1518 0.242159 -26.4744 -22.1579 23.9582 3.67638 22.5386 29.537 TIMING: 331200 CPU: 979.624, 0.0029414/step Wall: 979.624, 0.0029414/step, 3.81467 hours remaining, 204.750000 MB of memory in use. ENERGY: 331200 748.0450 2121.2588 1904.4472 97.1080 -206278.4552 17735.4445 0.0000 0.0000 34254.4953 -149417.6565 299.1530 -183672.1518 -149326.7399 299.0643 4.0274 34.5540 556678.9369 -6.2203 -6.4386 PRESSURE: 331400 74.3875 100.94 -1.98143 100.94 219.398 -131.155 -1.98184 -131.155 145.219 GPRESSURE: 331400 105.279 51.5361 61.0028 221.937 237.173 -100.712 22.6225 -84.3548 201.338 PRESSAVG: 331400 -79.9586 7.31168 13.9346 7.31168 -22.0313 -80.6779 13.9347 -80.6779 73.4394 GPRESSAVG: 331400 -80.6083 8.04499 14.5587 7.67927 -20.4396 -79.908 12.2078 -80.5591 72.4786 TIMING: 331400 CPU: 980.212, 0.0029376/step Wall: 980.212, 0.0029376/step, 3.80957 hours remaining, 204.750000 MB of memory in use. ENERGY: 331400 756.4007 2088.3545 1930.2010 124.3174 -206269.5379 17959.3619 0.0000 0.0000 34236.1717 -149174.7307 298.9930 -183410.9024 -149082.4545 299.0071 146.3348 181.2633 556805.6471 -9.5168 -9.5231 PRESSURE: 331600 105.968 29.0895 -137.212 29.0902 -57.9479 31.215 -137.214 31.2137 125.885 GPRESSURE: 331600 49.7466 10.512 -134.913 84.7103 50.2081 74.1464 -91.9405 -51.3434 162.792 PRESSAVG: 331600 1.37362 49.0884 17.7488 49.0884 -8.64965 -7.70653 17.7489 -7.7065 -13.8468 GPRESSAVG: 331600 0.153212 51.3552 16.3275 48.4838 -8.29861 -6.43782 18.9202 -8.16642 -13.0146 TIMING: 331600 CPU: 980.799, 0.00293725/step Wall: 980.799, 0.00293725/step, 3.80896 hours remaining, 204.750000 MB of memory in use. ENERGY: 331600 729.4655 2074.1197 1923.7620 112.5476 -206123.4926 17717.5886 0.0000 0.0000 34278.5132 -149287.4961 299.3628 -183566.0093 -149185.3715 299.0984 57.9683 87.5821 555617.9939 -7.0409 -7.0533 PRESSURE: 331800 58.3526 -216.35 -82.7646 -216.35 -43.091 105.35 -82.765 105.352 23.6027 GPRESSURE: 331800 130.605 -338.306 -34.2457 -158.544 39.473 96.1469 -122.84 78.8198 -29.9563 PRESSAVG: 331800 1.88553 -32.5191 63.2075 -32.5191 -24.8086 -25.0761 63.2076 -25.0761 14.2132 GPRESSAVG: 331800 2.64323 -34.5929 65.4592 -31.3769 -25.2913 -24.9523 61.2005 -24.8491 14.5446 TIMING: 331800 CPU: 981.391, 0.00295966/step Wall: 981.391, 0.00295966/step, 3.83785 hours remaining, 204.750000 MB of memory in use. ENERGY: 331800 718.4011 2048.7267 1936.5144 112.6766 -206192.6107 17817.9148 0.0000 0.0000 34116.1433 -149442.2339 297.9448 -183558.3772 -149343.7167 298.6243 12.9548 46.7073 556673.1805 -2.9033 -2.7011 PRESSURE: 332000 -89.3191 -54.4974 19.9769 -54.498 -6.22834 -3.1611 19.9769 -3.16156 -95.6196 GPRESSURE: 332000 6.08509 -37.4138 75.0212 -122.176 43.415 -33.3451 -72.6588 11.8403 -149.45 PRESSAVG: 332000 -33.2123 -43.7065 9.59969 -43.7066 23.5136 13.671 9.59971 13.6709 -11.4959 GPRESSAVG: 332000 -33.1878 -42.2029 9.5739 -45.669 23.4794 14.2618 9.58409 13.1418 -11.7978 TIMING: 332000 CPU: 981.982, 0.00295328/step Wall: 981.982, 0.00295328/step, 3.82942 hours remaining, 204.750000 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: 332000 734.6229 2044.7438 1976.0228 113.3979 -206125.4906 17636.4037 0.0000 0.0000 34136.4671 -149483.8325 298.1223 -183620.2996 -149390.0071 298.9565 -63.7224 -33.3166 556844.2092 -7.0648 -7.1687 PRESSURE: 332200 84.3726 19.7107 38.855 19.7109 -36.6768 214.336 38.8543 214.335 -265.133 GPRESSURE: 332200 108.659 23.8732 145.326 139.798 9.13527 184.578 -43.1377 311.666 -233.168 PRESSAVG: 332200 -18.101 11.8024 50.0964 11.8023 60.1966 46.2346 50.0965 46.2345 -36.6818 GPRESSAVG: 332200 -18.1191 11.8983 48.4634 12.4984 60.1508 45.5953 51.0798 47.2161 -37.044 TIMING: 332200 CPU: 982.577, 0.00297897/step Wall: 982.577, 0.00297897/step, 3.86256 hours remaining, 204.750000 MB of memory in use. ENERGY: 332200 757.9207 2116.0052 1940.4301 114.5944 -206008.5297 17573.1633 0.0000 0.0000 34051.9792 -149454.4368 297.3844 -183506.4160 -149362.1263 298.8520 -72.4792 -38.4580 558500.1044 1.8046 1.6626 LDB: ============= START OF LOAD BALANCING ============== 986.008 LDB: ============== END OF LOAD BALANCING =============== 986.008 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 986.01 LDB: ============= START OF LOAD BALANCING ============== 986.307 LDB: Largest compute 4848 load 0.030245 is 25.7% of average load 0.117689 LDB: Average compute 0.001730 is 1.5% of average load 0.117689 LDB: TIME 986.31 LOAD: AVG 0.117689 MAX 0.197836 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.406 MB LDB: TIME 986.31 LOAD: AVG 0.117689 MAX 0.197836 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.477 MB LDB: TIME 986.31 LOAD: AVG 0.117689 MAX 0.197836 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.477 MB LDB: ============== END OF LOAD BALANCING =============== 986.312 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 986.316 PRESSURE: 332400 -349.658 3.71391 -11.2739 3.71398 -23.984 -24.9411 -11.2748 -24.942 -79.2095 GPRESSURE: 332400 -339.54 66.9117 -11.2566 -29.7045 63.028 -60.9267 -3.72583 -8.64165 -74.9605 PRESSAVG: 332400 6.46096 1.28594 2.85541 1.28597 42.7539 -12.3745 2.85535 -12.3745 -44.0932 GPRESSAVG: 332400 5.65241 0.565323 4.04312 2.13732 41.5543 -11.4454 1.71309 -12.5599 -42.8877 TIMING: 332400 CPU: 983.186, 0.00304368/step Wall: 983.186, 0.00304368/step, 3.9463 hours remaining, 204.039062 MB of memory in use. ENERGY: 332400 759.9155 2086.7491 1950.9426 119.5426 -206366.3443 17706.6408 0.0000 0.0000 34249.0415 -149493.5122 299.1054 -183742.5537 -149397.4208 298.3130 -150.9505 -117.1574 557331.5341 1.7072 1.4397 PRESSURE: 332600 -39.1118 -2.16013 17.8157 -2.16036 151.003 -23.4234 17.8144 -23.4233 -49.5934 GPRESSURE: 332600 -19.6531 41.7755 89.8534 11.6057 185.81 15.3398 12.9441 -65.8401 -11.5124 PRESSAVG: 332600 -2.18581 42.2419 -8.29782 42.2419 54.2337 22.5718 -8.29783 22.5718 -19.1216 GPRESSAVG: 332600 -1.74563 42.3784 -9.41319 41.1702 54.8168 22.2098 -6.63547 22.4051 -20.5297 TIMING: 332600 CPU: 983.783, 0.00298189/step Wall: 983.783, 0.00298189/step, 3.86602 hours remaining, 204.281250 MB of memory in use. ENERGY: 332600 759.9843 2144.5726 1950.8606 130.7712 -206416.2838 17883.6992 0.0000 0.0000 34095.3104 -149451.0857 297.7628 -183546.3961 -149354.6260 298.1934 20.7659 51.5482 556524.9512 10.9754 10.8471 PRESSURE: 332800 -125.118 -65.2519 -103.503 -65.2516 58.9388 155.206 -103.503 155.206 63.7511 GPRESSURE: 332800 2.99721 19.2017 -112.278 -61.2583 78.8591 197.51 -138.114 46.0119 5.01782 PRESSAVG: 332800 -29.4541 -23.7105 -19.3889 -23.7105 60.6838 54.2576 -19.3891 54.2576 -25.4924 GPRESSAVG: 332800 -29.5709 -24.319 -19.837 -24.1616 61.0297 53.5564 -19.2286 53.2224 -25.4391 TIMING: 332800 CPU: 984.376, 0.00296911/step Wall: 984.376, 0.00296911/step, 3.84928 hours remaining, 204.281250 MB of memory in use. ENERGY: 332800 766.4024 2115.0574 1978.2413 104.0408 -206686.9152 17907.7067 0.0000 0.0000 34299.2305 -149516.2361 299.5437 -183815.4666 -149415.6714 298.4002 -0.8093 28.9580 556660.7266 1.9125 2.0066 PRESSURE: 333000 -50.3433 18.0871 30.5741 18.0882 -260.27 126.167 30.5731 126.166 -406.207 GPRESSURE: 333000 -59.3214 12.9151 96.5457 12.5331 -245.764 227.715 50.4761 43.2841 -328.196 PRESSAVG: 333000 -13.524 7.32309 -9.41123 7.32308 10.2078 46.117 -9.41125 46.1169 37.1952 GPRESSAVG: 333000 -13.2452 6.92936 -8.75008 7.66021 10.6205 44.7112 -9.80859 46.2649 36.7827 TIMING: 333000 CPU: 984.975, 0.00299483/step Wall: 984.975, 0.00299483/step, 3.88247 hours remaining, 204.281250 MB of memory in use. ENERGY: 333000 789.1176 2062.4983 1926.8929 115.9917 -206459.9069 17701.0454 0.0000 0.0000 34171.7430 -149692.6180 298.4303 -183864.3610 -149595.7250 298.2346 -238.9401 -211.0940 558014.9344 11.2930 11.3860 PRESSURE: 333200 186.644 -24.6685 -50.001 -24.6692 -124.6 -260.359 -49.9999 -260.358 -67.9104 GPRESSURE: 333200 183.294 -29.9161 -29.4177 14.6582 -105.603 -213.971 3.30511 -297.872 14.0004 PRESSAVG: 333200 51.1022 -1.58773 -1.19111 -1.5878 -40.2798 34.4002 -1.19103 34.4 -18.8832 GPRESSAVG: 333200 50.9799 -1.78277 -0.725818 -2.18402 -41.5674 33.7625 -2.22042 33.3507 -17.6358 TIMING: 333200 CPU: 985.565, 0.0029489/step Wall: 985.565, 0.0029489/step, 3.82276 hours remaining, 204.281250 MB of memory in use. ENERGY: 333200 725.6413 2119.2330 1957.4601 110.8155 -206824.3007 18021.6973 0.0000 0.0000 34210.9791 -149678.4745 298.7730 -183889.4536 -149581.4865 298.5622 -1.9558 30.5640 557553.7291 -2.6870 -2.7411 PRESSURE: 333400 246.447 38.5077 -43.0351 38.5074 20.1867 -203.743 -43.0346 -203.745 -94.7983 GPRESSURE: 333400 228.768 -7.22944 -79.4485 31.7088 66.0535 -100.415 26.5547 -207.63 -34.1558 PRESSAVG: 333400 34.4369 -5.1352 25.0041 -5.13512 6.95182 -36.7114 25.0042 -36.7116 -17.5523 GPRESSAVG: 333400 34.6196 -3.69845 23.005 -4.74578 7.8331 -33.0996 26.2844 -36.039 -17.9087 TIMING: 333400 CPU: 986.152, 0.00293597/step Wall: 986.152, 0.00293597/step, 3.80584 hours remaining, 204.281250 MB of memory in use. ENERGY: 333400 714.7893 2146.9750 1925.6068 108.2718 -206551.9690 17930.1801 0.0000 0.0000 34039.4802 -149686.6658 297.2752 -183726.1460 -149581.3969 298.2729 57.2784 86.8887 557775.8721 7.9455 8.1814 PRESSURE: 333600 -70.6849 -38.0999 -3.12571 -38.1009 -182.772 -60.6789 -3.12567 -60.6796 38.6036 GPRESSURE: 333600 -10.2241 -47.4121 2.63742 64.8486 -126.556 -22.4797 -0.384083 -55.6618 16.2668 PRESSAVG: 333600 15.8387 30.2514 -32.2291 30.2514 -1.49014 -38.4156 -32.229 -38.4155 6.92363 GPRESSAVG: 333600 16.3102 27.9351 -31.8287 29.5392 -2.28196 -41.2516 -32.1505 -36.799 7.18199 TIMING: 333600 CPU: 986.741, 0.00294221/step Wall: 986.741, 0.00294221/step, 3.81376 hours remaining, 204.281250 MB of memory in use. ENERGY: 333600 732.7321 2013.5621 1939.6884 124.8357 -206278.4559 17871.8985 0.0000 0.0000 34040.0554 -149555.6839 297.2803 -183595.7393 -149452.9420 297.7948 -71.6179 -40.1712 558585.4402 7.0907 7.0701 PRESSURE: 333800 -108.261 -11.2747 -52.0056 -11.2749 234.693 32.6109 -52.007 32.6107 151.731 GPRESSURE: 333800 -49.7648 30.8638 -39.4909 30.1103 207.262 -34.6521 -136.646 47.8745 221.515 PRESSAVG: 333800 -71.0722 -47.1114 5.4513 -47.1114 41.0519 -15.9681 5.45125 -15.9681 -3.02167 GPRESSAVG: 333800 -72.0691 -47.2763 7.9257 -45.4637 41.5304 -15.3015 2.80733 -18.1532 -2.36516 TIMING: 333800 CPU: 987.328, 0.00293462/step Wall: 987.328, 0.00293462/step, 3.80375 hours remaining, 204.281250 MB of memory in use. ENERGY: 333800 733.7613 2090.4308 1963.5594 121.4352 -206901.4549 18137.3979 0.0000 0.0000 34350.3181 -149504.5521 299.9899 -183854.8702 -149413.9325 298.6615 92.7211 126.3375 556634.4087 -11.0140 -10.9679 PRESSURE: 334000 -72.7198 -10.9596 117.108 -10.9598 135.613 156.989 117.107 156.988 213.139 GPRESSURE: 334000 -93.5742 10.5651 114.689 -73.0559 238.006 112.69 122.231 172.256 228.712 PRESSAVG: 334000 -96.6984 -10.6429 3.05612 -10.6429 62.4298 7.72681 3.05612 7.72688 14.0079 GPRESSAVG: 334000 -95.614 -9.20954 -0.178949 -10.6348 62.8372 6.0833 6.0317 8.54756 13.2526 TIMING: 334000 CPU: 987.917, 0.00294846/step Wall: 987.917, 0.00294846/step, 3.82153 hours remaining, 204.281250 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: 334000 720.2082 2124.4921 1908.7363 118.6130 -206521.3953 17824.5511 0.0000 0.0000 34321.3861 -149503.4084 299.7372 -183824.7946 -149405.9439 299.1788 92.0108 124.3815 556393.2853 -6.7535 -6.5081 PRESSURE: 334200 -104.789 -6.50692 97.258 -6.50717 -47.3423 142.947 97.2591 142.948 73.5715 GPRESSURE: 334200 -21.8826 -87.6807 18.7951 12.5418 3.50646 182.029 118.592 55.3073 29.6789 PRESSAVG: 334200 -72.2563 18.0991 -27.6484 18.099 32.5586 71.4163 -27.6484 71.4163 99.5139 GPRESSAVG: 334200 -71.2848 17.6706 -28.1363 17.5546 31.3994 72.9152 -27.6796 70.5251 99.2957 TIMING: 334200 CPU: 988.505, 0.0029396/step Wall: 988.505, 0.0029396/step, 3.80989 hours remaining, 204.281250 MB of memory in use. ENERGY: 334200 733.1713 2087.5218 1969.8739 114.9586 -206652.1710 17806.9838 0.0000 0.0000 34264.8819 -149674.7798 299.2437 -183939.6617 -149574.1579 298.7749 -26.1867 3.7676 556838.8042 19.9387 19.8034 PRESSURE: 334400 -147.99 -16.0786 -5.18287 -16.0792 -335.493 256.447 -5.18313 256.448 -168.152 GPRESSURE: 334400 -156.307 6.91651 36.3782 -82.9871 -310.592 188.653 -30.6192 271.136 -86.6972 PRESSAVG: 334400 28.5552 24.9597 -27.1544 24.9597 -14.8912 10.7232 -27.1544 10.7232 29.9623 GPRESSAVG: 334400 28.1731 25.1832 -25.0173 24.9005 -14.0836 10.3116 -27.973 12.9871 29.8072 TIMING: 334400 CPU: 989.092, 0.00293562/step Wall: 989.092, 0.00293562/step, 3.80456 hours remaining, 204.281250 MB of memory in use. ENERGY: 334400 753.5486 2060.2753 1935.4696 114.9424 -206238.9561 17529.4594 0.0000 0.0000 34224.8972 -149620.3636 298.8945 -183845.2609 -149522.8130 297.7762 -217.2118 -184.5321 557304.2695 14.5421 14.6322 PRESSURE: 334600 108.215 130.592 -199.592 130.592 56.3625 200.413 -199.594 200.412 186.803 GPRESSURE: 334600 86.8541 79.9048 -177.315 161.982 124.375 181.429 -222.766 303.247 222.626 PRESSAVG: 334600 -13.8859 5.72608 -42.7547 5.72608 24.8627 13.4493 -42.7547 13.4494 -5.01917 GPRESSAVG: 334600 -14.9029 7.05331 -43.6571 3.50968 27.4794 14.7624 -44.0758 11.8995 -6.61544 TIMING: 334600 CPU: 989.682, 0.00294552/step Wall: 989.682, 0.00294552/step, 3.81722 hours remaining, 204.281250 MB of memory in use. ENERGY: 334600 732.3519 2115.1340 1941.6883 115.2906 -206632.9776 18011.3896 0.0000 0.0000 34199.6124 -149517.5108 298.6737 -183717.1232 -149419.3817 297.7465 117.1268 144.6185 556008.7708 1.9859 1.9870 PRESSURE: 334800 262.012 71.143 -123.083 71.1427 220.561 -0.549452 -123.083 -0.548031 130.559 GPRESSURE: 334800 273.165 37.0758 -143.986 80.7987 308.219 -70.9317 -108.533 8.80257 133.86 PRESSAVG: 334800 -40.6926 -22.2436 -54.278 -22.2436 20.5856 -7.2298 -54.2779 -7.22974 33.1822 GPRESSAVG: 334800 -41.024 -23.864 -54.1985 -21.912 19.0857 -9.81395 -55.5172 -5.70341 35.654 TIMING: 334800 CPU: 990.277, 0.00297575/step Wall: 990.277, 0.00297575/step, 3.85624 hours remaining, 204.281250 MB of memory in use. ENERGY: 334800 714.1437 2018.6370 1950.0785 127.5653 -206756.6195 18137.0615 0.0000 0.0000 34205.9196 -149603.2140 298.7288 -183809.1336 -149506.8765 297.9374 204.3777 238.4144 555539.4900 4.3584 4.5719 PRESSURE: 335000 -127.922 -144.203 -158.441 -144.202 -234.062 -14.2339 -158.442 -14.2321 -70.3315 GPRESSURE: 335000 -97.9063 -88.1103 -104.184 -133.964 -183.615 -31.1886 -273.374 -100.731 -58.44 PRESSAVG: 335000 1.61169 -16.6113 -29.7966 -16.6113 -37.2476 2.29265 -29.7967 2.29277 43.568 GPRESSAVG: 335000 2.2061 -14.5624 -29.9991 -16.768 -38.1074 3.73103 -28.1302 0.538278 43.6938 TIMING: 335000 CPU: 990.869, 0.0029632/step Wall: 990.869, 0.0029632/step, 3.83982 hours remaining, 204.281250 MB of memory in use. ENERGY: 335000 762.4785 2061.9074 1971.1207 109.7108 -206493.3897 17788.2941 0.0000 0.0000 34197.6261 -149602.2522 298.6564 -183799.8782 -149510.4616 297.9115 -144.1053 -113.3204 558161.4077 2.6440 2.5975 PRESSURE: 335200 -138.911 130.831 -215.814 130.831 160.48 -36.9742 -215.814 -36.9736 145.794 GPRESSURE: 335200 -85.1588 100.691 -201.829 62.8583 164.432 -144.546 -195.389 -11.4865 185.034 PRESSAVG: 335200 -20.6744 -20.7414 -54.2542 -20.7415 14.1684 -8.94246 -54.2542 -8.94252 10.0642 GPRESSAVG: 335200 -20.8194 -22.8698 -55.3249 -20.846 14.736 -9.90174 -55.0768 -6.20604 9.52274 TIMING: 335200 CPU: 991.461, 0.00295843/step Wall: 991.461, 0.00295843/step, 3.83347 hours remaining, 204.281250 MB of memory in use. ENERGY: 335200 708.7743 2051.9244 1955.1880 119.1602 -206456.5620 18034.7735 0.0000 0.0000 34116.5718 -149470.1696 297.9485 -183586.7414 -149376.8117 297.5314 55.7877 88.1023 558173.0810 1.1861 1.1465 PRESSURE: 335400 -11.6562 59.1158 -179.76 59.1168 -47.5489 -186.943 -179.76 -186.942 -11.7874 GPRESSURE: 335400 42.3035 81.1958 -211.894 70.7951 7.49313 -205.407 -88.6594 -164.417 -25.5013 PRESSAVG: 335400 -49.3332 -13.6725 4.95812 -13.6725 -4.0248 -20.7065 4.95812 -20.7064 -18.9891 GPRESSAVG: 335400 -50.6349 -12.4737 4.45911 -13.0945 -2.64253 -18.4889 6.62473 -23.4011 -18.6915 TIMING: 335400 CPU: 992.053, 0.0029578/step Wall: 992.053, 0.0029578/step, 3.83249 hours remaining, 204.355469 MB of memory in use. ENERGY: 335400 750.1521 2097.9953 1924.7118 108.1865 -206067.9841 17770.0208 0.0000 0.0000 34065.2182 -149351.6994 297.5000 -183416.9176 -149256.8609 298.5301 -23.6642 8.0984 557992.6993 -24.1157 -23.9896 PRESSURE: 335600 -65.7891 16.1956 6.34891 16.196 -28.6792 -42.995 6.34879 -42.9949 -146.887 GPRESSURE: 335600 -40.1642 11.4007 30.2617 60.0041 -21.7338 40.9504 28.8428 -75.9249 -89.9213 PRESSAVG: 335600 -4.56516 -7.00066 -30.1867 -7.0006 5.55607 -6.32984 -30.1867 -6.32992 5.8228 GPRESSAVG: 335600 -3.14954 -6.62243 -29.4164 -8.39882 4.62572 -8.20064 -29.0383 -4.35404 5.28959 TIMING: 335600 CPU: 992.639, 0.00293236/step Wall: 992.639, 0.00293236/step, 3.79936 hours remaining, 204.355469 MB of memory in use. ENERGY: 335600 713.9861 2130.3655 1951.5487 115.6056 -206106.9065 17802.6591 0.0000 0.0000 33879.6580 -149513.0836 295.8795 -183392.7416 -149411.1365 298.1003 -80.4518 -50.6065 559122.2244 2.2712 2.2553 PRESSURE: 335800 -57.9165 126.344 79.164 126.345 -222.923 -98.2726 79.1633 -98.2728 104.718 GPRESSURE: 335800 -57.7324 158.203 140.1 104.128 -179.537 -88.0865 63.0097 -52.4482 143.795 PRESSAVG: 335800 -19.5673 26.1519 7.18194 26.1519 33.1862 -6.60442 7.18193 -6.60439 19.0726 GPRESSAVG: 335800 -19.1535 25.3864 7.60574 27.3768 33.1337 -5.87694 5.97156 -5.66076 19.0726 TIMING: 335800 CPU: 993.229, 0.00295061/step Wall: 993.229, 0.00295061/step, 3.82285 hours remaining, 204.355469 MB of memory in use. ENERGY: 335800 797.0223 2138.4744 1927.4762 102.5935 -206303.7953 17719.6214 0.0000 0.0000 34227.6733 -149390.9342 298.9188 -183618.6075 -149291.1525 298.6074 -58.7072 -31.1579 556312.1317 10.8972 11.0176 PRESSURE: 336000 -180.763 -210.764 89.0441 -210.764 -86.0867 14.2471 89.0435 14.248 132.36 GPRESSURE: 336000 -127.457 -200.567 118.855 -176.473 2.96615 42.5963 73.7394 -15.9597 84.5259 PRESSAVG: 336000 -51.359 47.6181 -1.36158 47.6181 -28.7138 25.864 -1.36157 25.8641 65.292 GPRESSAVG: 336000 -51.6665 47.6444 -2.08015 48.8443 -28.6905 26.1473 -1.49323 22.6343 65.7447 TIMING: 336000 CPU: 993.819, 0.0029472/step Wall: 993.819, 0.0029472/step, 3.81827 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: 336000 763.7045 2170.2715 1952.0358 121.2499 -206415.8287 17719.6798 0.0000 0.0000 34284.7220 -149404.1652 299.4170 -183688.8873 -149306.3049 298.5254 -44.8298 -13.3218 556312.9346 -4.9270 -4.8708 PRESSURE: 336200 348.809 49.4676 116.953 49.4672 318.545 143.353 116.952 143.354 86.6076 GPRESSURE: 336200 408.644 62.0322 93.4559 79.8839 296.414 235.167 122.973 91.1182 139.5 PRESSAVG: 336200 -50.8269 -36.4057 -12.9001 -36.4057 71.7567 54.4486 -12.9001 54.4485 22.5128 GPRESSAVG: 336200 -51.3377 -36.2186 -11.7036 -37.5246 71.5565 55.348 -12.6557 54.8049 22.7504 TIMING: 336200 CPU: 994.409, 0.00295153/step Wall: 994.409, 0.00295153/step, 3.82371 hours remaining, 204.355469 MB of memory in use. ENERGY: 336200 719.9707 2106.0236 1926.8670 115.9881 -206586.4035 18140.6964 0.0000 0.0000 34299.2009 -149277.6568 299.5435 -183576.8577 -149180.7137 299.3198 251.3206 281.5194 556842.6234 14.4808 14.3231 LDB: ============= START OF LOAD BALANCING ============== 997.836 LDB: ============== END OF LOAD BALANCING =============== 997.836 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 997.837 LDB: ============= START OF LOAD BALANCING ============== 998.135 LDB: Largest compute 4848 load 0.028907 is 24.6% of average load 0.117686 LDB: Average compute 0.001726 is 1.5% of average load 0.117686 LDB: TIME 998.137 LOAD: AVG 0.117686 MAX 0.196998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.438 MB LDB: TIME 998.137 LOAD: AVG 0.117686 MAX 0.196998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.438 MB LDB: TIME 998.137 LOAD: AVG 0.117686 MAX 0.196998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 998.139 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 998.143 PRESSURE: 336400 65.9358 -55.7649 107.259 -55.765 195.32 -85.5102 107.26 -85.5099 176.996 GPRESSURE: 336400 55.8826 -52.0598 36.6644 -53.6736 210.708 -138.942 141.62 -43.2646 275.826 PRESSAVG: 336400 9.96377 -37.5173 -16.2755 -37.5174 -3.41747 20.8764 -16.2755 20.8764 53.5797 GPRESSAVG: 336400 9.4743 -38.5669 -17.2942 -36.4797 -3.00923 19.2775 -16.7651 24.3309 53.4577 TIMING: 336400 CPU: 995.014, 0.00302482/step Wall: 995.014, 0.00302482/step, 3.91848 hours remaining, 202.437500 MB of memory in use. ENERGY: 336400 756.4177 2072.4673 1957.5412 115.7591 -206247.1964 18031.6523 0.0000 0.0000 34044.5006 -149268.8583 297.3191 -183313.3589 -149179.6322 299.1987 146.0838 180.8058 557174.5998 20.0420 19.9743 PRESSURE: 336600 -49.3717 -98.5169 -41.2943 -98.5168 -22.0421 41.1108 -41.2948 41.1107 -21.5007 GPRESSURE: 336600 -25.1265 -107.997 -12.6437 -132.802 -3.92424 75.7537 -110.452 28.9095 31.1262 PRESSAVG: 336600 8.0667 -94.7508 37.597 -94.7508 -3.06276 -6.18572 37.5969 -6.1858 56.4952 GPRESSAVG: 336600 8.46367 -91.4009 37.4594 -96.996 -4.19686 -4.36719 37.6674 -6.85719 56.0142 TIMING: 336600 CPU: 995.606, 0.0029619/step Wall: 995.606, 0.0029619/step, 3.83682 hours remaining, 202.437500 MB of memory in use. ENERGY: 336600 714.5205 2180.1521 1936.0834 110.3746 -206071.2280 17658.5860 0.0000 0.0000 34246.7355 -149224.7759 299.0853 -183471.5114 -149124.0631 299.6555 -30.9715 0.6918 557345.3686 20.4997 20.0937 PRESSURE: 336800 -6.61626 -99.5114 -195.226 -99.5109 163.893 -53.0632 -195.227 -53.0648 61.8378 GPRESSURE: 336800 -4.28363 -63.3082 -117.05 -117.928 182.903 -98.4253 -235.832 -33.1734 130.294 PRESSAVG: 336800 -8.53469 -38.8238 7.07729 -38.8236 -38.4467 1.21429 7.07732 1.21428 25.4494 GPRESSAVG: 336800 -9.79195 -40.5601 7.32258 -39.7076 -38.2372 -1.02805 6.18063 -0.83866 26.4319 TIMING: 336800 CPU: 996.205, 0.00299418/step Wall: 996.205, 0.00299418/step, 3.87846 hours remaining, 202.437500 MB of memory in use. ENERGY: 336800 753.1703 2083.6653 1932.2188 111.1657 -206278.2571 17973.8647 0.0000 0.0000 34262.2211 -149161.9511 299.2205 -183424.1722 -149057.5027 299.5040 73.0383 102.9712 558891.8611 -7.1774 -7.1991 PRESSURE: 337000 64.7189 -34.4695 74.7186 -34.4691 -124.018 21.5881 74.7183 21.5896 84.7235 GPRESSURE: 337000 121.021 8.01602 56.3314 -109.42 -110.481 47.1991 75.7971 15.1115 99.4449 PRESSAVG: 337000 19.4072 12.4375 -13.1196 12.4375 -33.0603 -1.63274 -13.1195 -1.63277 16.6443 GPRESSAVG: 337000 20.7202 13.5807 -14.1109 13.8868 -32.802 -1.29257 -10.5602 -0.200375 15.1924 TIMING: 337000 CPU: 996.804, 0.00299672/step Wall: 996.804, 0.00299672/step, 3.88159 hours remaining, 202.437500 MB of memory in use. ENERGY: 337000 759.1590 2109.5376 1935.3780 119.0797 -206229.1614 17888.9009 0.0000 0.0000 34192.9477 -149224.1585 298.6155 -183417.1063 -149127.4878 299.4858 8.4748 36.6615 558371.0099 0.9971 1.0369 PRESSURE: 337200 22.7877 52.631 58.7281 52.6305 152.693 43.4085 58.7284 43.4093 -87.9753 GPRESSURE: 337200 74.2977 40.129 75.1306 0.822089 148.553 -8.32071 41.5231 158.177 -39.7056 PRESSAVG: 337200 -34.6051 12.4759 -4.14318 12.4758 -3.57679 -33.9456 -4.14318 -33.9456 45.2188 GPRESSAVG: 337200 -36.0803 12.0606 -3.53533 12.51 -2.75067 -34.8932 -5.86904 -33.2695 46.077 TIMING: 337200 CPU: 997.395, 0.00295078/step Wall: 997.395, 0.00295078/step, 3.82192 hours remaining, 202.437500 MB of memory in use. ENERGY: 337200 698.6479 2097.1459 1914.6258 93.4960 -206440.4578 17919.4395 0.0000 0.0000 34419.4697 -149297.6330 300.5938 -183717.1028 -149195.4459 299.7679 29.1685 61.0483 556496.0941 2.3456 2.4153 PRESSURE: 337400 -340.77 10.7249 -44.609 10.7252 -201.442 212.64 -44.6097 212.64 -130.453 GPRESSURE: 337400 -247.903 -36.0225 7.43603 13.4613 -206.356 96.6662 -29.5133 221.458 -116.591 PRESSAVG: 337400 -105.603 20.9826 16.6794 20.9827 63.3881 64.3969 16.6795 64.3968 -4.87608 GPRESSAVG: 337400 -104.653 20.5008 16.5995 22.8933 63.1059 66.4234 16.3802 61.9801 -5.65593 TIMING: 337400 CPU: 997.983, 0.00294122/step Wall: 997.983, 0.00294122/step, 3.80937 hours remaining, 202.636719 MB of memory in use. ENERGY: 337400 768.8186 2091.4585 1942.7458 113.9651 -206079.2654 17447.8058 0.0000 0.0000 34353.0931 -149361.3786 300.0141 -183714.4717 -149264.2649 299.2400 -224.2220 -190.2834 557477.4683 -15.6969 -15.7345 PRESSURE: 337600 -200.752 163.323 60.0116 163.323 4.9632 -43.0925 60.0124 -43.0921 -115.193 GPRESSURE: 337600 -211.824 164.348 39.6365 109.475 41.5892 -4.39026 -26.2641 -40.6874 -44.6794 PRESSAVG: 337600 -29.4799 -1.87233 22.848 -1.87243 -19.2462 18.8189 22.848 18.8189 14.7827 GPRESSAVG: 337600 -29.4976 -1.48798 23.4715 -3.06733 -20.0947 19.0261 24.1194 20.2288 15.8322 TIMING: 337600 CPU: 998.574, 0.00295801/step Wall: 998.574, 0.00295801/step, 3.83095 hours remaining, 202.636719 MB of memory in use. ENERGY: 337600 761.2887 2069.7710 1950.7884 113.3572 -206231.6291 17635.3213 0.0000 0.0000 34366.5345 -149334.5681 300.1315 -183701.1025 -149237.0050 299.1927 -103.6606 -71.6380 558039.0227 -11.3145 -11.2534 PRESSURE: 337800 103.021 26.5765 -61.6715 26.5765 33.1157 120.055 -61.6725 120.055 -17.5054 GPRESSURE: 337800 195.388 33.6574 -186.693 19.5943 25.4613 82.6758 62.8311 136.249 -18.3891 PRESSAVG: 337800 -32.7505 -13.9781 42.5776 -13.9782 -4.11471 11.1004 42.5776 11.1004 10.0155 GPRESSAVG: 337800 -32.8072 -12.5654 42.6501 -15.8554 -3.63201 10.4485 42.4895 10.0866 9.82088 TIMING: 337800 CPU: 999.159, 0.0029248/step Wall: 999.159, 0.0029248/step, 3.78778 hours remaining, 202.636719 MB of memory in use. ENERGY: 337800 721.7469 2157.6887 1982.7378 116.3564 -206194.4730 17777.4722 0.0000 0.0000 34297.6164 -149140.8546 299.5296 -183438.4710 -149046.7098 299.9838 39.5436 67.4866 556689.1814 -8.9499 -8.8728 PRESSURE: 338000 -68.1349 -33.1584 -23.4846 -33.1585 -156.394 -63.6748 -23.4842 -63.673 -35.3725 GPRESSURE: 338000 -80.6224 -23.3563 15.5426 1.77181 -68.6231 -79.0349 -81.8423 54.8878 -18.9102 PRESSAVG: 338000 -30.1995 30.6469 45.3797 30.647 -86.8856 14.6781 45.3797 14.678 124.978 GPRESSAVG: 338000 -30.3741 30.3578 45.2482 30.2402 -86.4881 14.8999 46.3493 16.0453 124.729 TIMING: 338000 CPU: 999.747, 0.00293569/step Wall: 999.747, 0.00293569/step, 3.80171 hours remaining, 202.636719 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: 338000 744.3325 2077.2428 1945.4280 122.1101 -205837.1268 17616.9634 0.0000 0.0000 34104.9477 -149226.1023 297.8470 -183331.0501 -149136.8264 299.1918 -86.6337 -56.0519 557271.6521 2.6311 2.6221 PRESSURE: 338200 197.225 115.179 84.5888 115.18 117.556 75.2346 84.5892 75.233 79.8232 GPRESSURE: 338200 223.61 101.824 74.2781 202.815 122.621 76.6767 57.7523 71.8748 138.879 PRESSAVG: 338200 29.5069 -11.6024 52.0544 -11.6023 -12.732 50.4736 52.0544 50.4737 21.4253 GPRESSAVG: 338200 29.4609 -13.1549 53.1694 -9.5414 -13.0979 50.7048 50.4465 50.3912 22.2114 TIMING: 338200 CPU: 1000.34, 0.00294405/step Wall: 1000.34, 0.00294405/step, 3.81239 hours remaining, 202.636719 MB of memory in use. ENERGY: 338200 700.3816 2096.4175 1938.9047 115.6024 -205912.7292 17782.4690 0.0000 0.0000 34129.0389 -149149.9151 298.0574 -183278.9540 -149050.4884 299.1009 131.5346 161.7035 557913.5228 12.7334 12.8581 PRESSURE: 338400 -162.617 -29.1834 -71.6629 -29.1848 -3.7702 -60.2661 -71.6629 -60.2651 -33.1445 GPRESSURE: 338400 -106.665 44.1147 -27.7357 -10.2936 81.3952 -61.3528 -110.525 10.22 -86.3336 PRESSAVG: 338400 -48.2098 12.0509 62.4054 12.0509 1.63165 -11.748 62.4055 -11.7479 55.9235 GPRESSAVG: 338400 -49.4788 12.4016 60.9718 11.3827 1.92995 -10.2127 63.1194 -12.3801 56.3722 TIMING: 338400 CPU: 1000.93, 0.00296962/step Wall: 1000.93, 0.00296962/step, 3.84533 hours remaining, 202.636719 MB of memory in use. ENERGY: 338400 749.9141 2021.0498 1913.8544 110.9952 -205999.1053 17819.5057 0.0000 0.0000 34355.7101 -149028.0761 300.0370 -183383.7862 -148939.2431 299.2227 -66.5104 -37.2012 558765.5391 3.1151 2.9411 PRESSURE: 338600 -164.395 -62.5193 -88.3741 -62.5187 -235.017 -93.4541 -88.3728 -93.4537 -257.182 GPRESSURE: 338600 -143.169 47.0147 -56.183 -175.276 -226.039 2.40653 -139.861 -88.4692 -184.626 PRESSAVG: 338600 54.0522 -8.45098 -22.5811 -8.45096 -62.1132 -32.8935 -22.5811 -32.8936 -28.1516 GPRESSAVG: 338600 56.3276 -9.16572 -21.2302 -7.57344 -61.9188 -33.5902 -22.4753 -32.3479 -30.8368 TIMING: 338600 CPU: 1001.52, 0.00296287/step Wall: 1001.52, 0.00296287/step, 3.83642 hours remaining, 202.636719 MB of memory in use. ENERGY: 338600 762.7887 2116.5939 1923.8959 111.8955 -206091.0908 17703.9818 0.0000 0.0000 34296.2647 -149175.6702 299.5178 -183471.9349 -149081.5208 299.0072 -218.8650 -184.6112 560079.5084 -12.0709 -12.1427 PRESSURE: 338800 -30.0197 -63.4417 116.811 -63.4407 22.8134 23.426 116.809 23.4255 -116.943 GPRESSURE: 338800 -33.2291 1.89695 110.252 -165.706 79.3886 73.4038 75.1054 -94.1979 -79.7612 PRESSAVG: 338800 31.0591 29.8148 20.3959 29.8148 11.6933 15.6692 20.396 15.6691 -42.4521 GPRESSAVG: 338800 30.069 30.2455 18.9481 29.7337 11.3934 16.1925 21.8773 13.5915 -41.7349 TIMING: 338800 CPU: 1002.12, 0.00298022/step Wall: 1002.12, 0.00298022/step, 3.85873 hours remaining, 202.636719 MB of memory in use. ENERGY: 338800 769.8761 2071.0503 1930.0917 115.1076 -206037.4823 17806.2001 0.0000 0.0000 34138.0776 -149207.0788 298.1363 -183345.1564 -149109.9913 299.5549 -41.3831 -11.2006 557443.8321 0.1001 -0.0908 PRESSURE: 339000 36.0085 -64.4558 124.429 -64.456 -381.338 25.277 124.428 25.2764 72.476 GPRESSURE: 339000 22.294 -16.1517 133.782 -162.601 -293.803 4.51793 160.105 30.8415 85.6071 PRESSAVG: 339000 83.5182 -11.0672 15.3288 -11.0672 -27.472 -9.13573 15.3287 -9.13557 -45.8412 GPRESSAVG: 339000 83.4103 -8.7326 14.0054 -12.1228 -26.7934 -10.2506 13.8625 -7.96723 -46.4588 TIMING: 339000 CPU: 1002.71, 0.00295702/step Wall: 1002.71, 0.00295702/step, 3.82852 hours remaining, 202.636719 MB of memory in use. ENERGY: 339000 746.7124 2085.7627 1908.4460 111.4538 -205909.1225 17585.5136 0.0000 0.0000 34339.9383 -149131.2958 299.8992 -183471.2341 -149034.9343 299.1949 -90.9513 -61.9673 557229.8200 3.4017 3.3861 PRESSURE: 339200 -3.1872 72.0792 -31.2683 72.08 -46.0935 20.0347 -31.2663 20.0343 157.35 GPRESSURE: 339200 54.6897 114.102 -10.336 -2.49483 8.18224 4.85558 -96.8439 67.0053 145.041 PRESSAVG: 339200 14.0311 -35.204 -40.4563 -35.2039 -77.2829 24.6367 -40.4564 24.6369 47.0937 GPRESSAVG: 339200 15.136 -38.5811 -39.5346 -32.7084 -78.2674 25.7494 -40.4022 24.5347 47.7207 TIMING: 339200 CPU: 1003.3, 0.00293512/step Wall: 1003.3, 0.00293512/step, 3.80001 hours remaining, 202.636719 MB of memory in use. ENERGY: 339200 779.6127 2062.2241 1930.1374 118.0193 -206588.8313 17969.1890 0.0000 0.0000 34572.7680 -149156.8808 301.9326 -183729.6488 -149057.1491 299.9239 36.0232 69.3045 556270.6188 -5.3861 -5.1369 PRESSURE: 339400 85.64 39.268 43.7605 39.27 -96.4175 21.2712 43.7602 21.2713 -40.056 GPRESSURE: 339400 130.614 100.768 51.5189 70.3336 -67.6818 33.7702 -5.57432 14.3762 -23.5266 PRESSAVG: 339400 -1.1676 -23.8623 2.91898 -23.8623 -22.9031 24.4706 2.91902 24.4706 38.9733 GPRESSAVG: 339400 -1.50482 -23.0209 4.24462 -25.7414 -22.4605 23.4057 2.75601 23.8927 38.7219 TIMING: 339400 CPU: 1003.89, 0.0029691/step Wall: 1003.89, 0.0029691/step, 3.84383 hours remaining, 202.636719 MB of memory in use. ENERGY: 339400 781.7282 2136.5589 1936.1893 106.5862 -206159.1101 17767.0266 0.0000 0.0000 34324.0218 -149106.9992 299.7602 -183431.0210 -149015.5251 298.9916 -16.9445 13.1353 557171.7138 4.9675 4.9189 PRESSURE: 339600 -89.1475 -123.24 4.67609 -123.24 72.8722 -29.5959 4.67569 -29.596 -12.5119 GPRESSURE: 339600 -26.113 -116.607 -7.30449 -43.8488 124.636 28.7912 -57.7974 48.5288 -27.7264 PRESSAVG: 339600 -18.8807 10.3738 0.715856 10.3738 -24.3625 -84.324 0.715846 -84.3239 39.3715 GPRESSAVG: 339600 -18.8208 13.0035 0.113263 9.03815 -24.4615 -84.6038 0.910519 -82.888 39.4251 TIMING: 339600 CPU: 1004.48, 0.00295526/step Wall: 1004.48, 0.00295526/step, 3.82575 hours remaining, 202.636719 MB of memory in use. ENERGY: 339600 789.6414 2114.7963 1927.9980 104.8277 -206407.5848 17823.6580 0.0000 0.0000 34392.8361 -149253.8274 300.3612 -183646.6634 -149152.3586 299.3529 -9.5957 23.5987 557919.6327 -1.2905 -1.2858 PRESSURE: 339800 -120.96 129.426 7.58998 129.425 55.1511 125.667 7.59113 125.668 -129.421 GPRESSURE: 339800 -78.0749 127.585 -11.2845 156.394 103.995 106.196 63.1934 104.134 -130.216 PRESSAVG: 339800 29.7688 23.8254 -7.4824 23.8254 -14.3339 -6.74995 -7.48249 -6.75 -7.50303 GPRESSAVG: 339800 29.2396 23.9398 -9.241 23.3889 -14.3655 -6.87375 -7.39163 -7.50092 -7.07794 TIMING: 339800 CPU: 1005.07, 0.00295149/step Wall: 1005.07, 0.00295149/step, 3.82071 hours remaining, 202.636719 MB of memory in use. ENERGY: 339800 768.3270 2081.3755 1934.3830 119.0763 -205944.2747 17721.3324 0.0000 0.0000 34038.2036 -149281.5770 297.2641 -183319.7806 -149183.4350 299.0304 -65.0765 -34.7652 558220.7583 2.6440 2.5987 PRESSURE: 340000 -86.7758 36.9747 -114.596 36.9756 -27.8063 26.4586 -114.597 26.4588 9.71578 GPRESSURE: 340000 -37.5238 17.9877 -61.6378 -13.5871 29.9656 36.9214 -58.7861 0.456213 1.44585 PRESSAVG: 340000 30.6185 4.19499 10.2155 4.19494 14.7915 11.3767 10.2155 11.3767 2.96283 GPRESSAVG: 340000 30.8866 5.19035 12.488 2.27401 15.0698 12.044 9.57993 12.5898 2.50402 TIMING: 340000 CPU: 1005.67, 0.00297949/step Wall: 1005.67, 0.00297949/step, 3.85679 hours remaining, 202.636719 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: 340000 729.7569 2053.4616 1932.2939 114.4184 -205763.4097 17682.5988 0.0000 0.0000 34150.2667 -149100.6136 298.2428 -183250.8802 -149010.0764 299.3627 -34.9554 -2.0375 559740.9226 16.1243 16.1535 PRESSURE: 340200 46.6038 62.2757 76.0863 62.2756 -62.7612 -81.7475 76.0859 -81.7464 -359.817 GPRESSURE: 340200 43.2583 73.2846 150.202 128.119 -51.9683 -107.049 21.6899 -117.608 -270.249 PRESSAVG: 340200 77.4055 -44.4735 2.76051 -44.4736 -60.3649 -23.7752 2.76048 -23.7752 -46.9654 GPRESSAVG: 340200 78.5307 -46.9155 1.93416 -39.9435 -62.6711 -23.673 3.44103 -25.2124 -46.2381 TIMING: 340200 CPU: 1006.26, 0.00294401/step Wall: 1006.26, 0.00294401/step, 3.81069 hours remaining, 202.636719 MB of memory in use. ENERGY: 340200 766.1653 2088.6938 1925.0981 113.4627 -205777.1687 17773.1634 0.0000 0.0000 34128.5035 -148982.0819 298.0527 -183110.5855 -148885.1127 300.0352 -125.3248 -92.9863 559865.6395 -9.9749 -10.1262 LDB: ============= START OF LOAD BALANCING ============== 1009.68 LDB: ============== END OF LOAD BALANCING =============== 1009.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1009.68 LDB: ============= START OF LOAD BALANCING ============== 1009.98 LDB: Largest compute 4848 load 0.030857 is 26.2% of average load 0.117749 LDB: Average compute 0.001744 is 1.5% of average load 0.117749 LDB: TIME 1009.98 LOAD: AVG 0.117749 MAX 0.197688 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 201.926 MB LDB: TIME 1009.98 LOAD: AVG 0.117749 MAX 0.197688 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.926 MB LDB: TIME 1009.98 LOAD: AVG 0.117749 MAX 0.197688 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 201.926 MB LDB: ============== END OF LOAD BALANCING =============== 1009.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1009.99 PRESSURE: 340400 -37.0606 61.5757 -1.20016 61.5758 -98.0992 180.046 -1.19879 180.046 226.104 GPRESSURE: 340400 5.64503 76.344 -77.7619 97.6253 -40.3953 131.618 51.1877 169.552 224.623 PRESSAVG: 340400 43.0422 35.4987 71.5868 35.4987 25.3419 25.8728 71.5869 25.8727 -24.9999 GPRESSAVG: 340400 43.0926 34.7711 72.869 35.3311 27.7099 24.823 71.2136 27.613 -26.9664 TIMING: 340400 CPU: 1006.86, 0.00301029/step Wall: 1006.86, 0.00301029/step, 3.89632 hours remaining, 203.148438 MB of memory in use. ENERGY: 340400 744.4851 2076.0889 1952.9916 120.6172 -205995.1553 17823.0116 0.0000 0.0000 34315.3845 -148962.5764 299.6848 -183277.9609 -148863.4449 300.1408 30.3146 63.2909 556214.5282 14.4614 14.6120 PRESSURE: 340600 -186.393 -74.8845 -291.412 -74.8836 -58.7848 -28.4676 -291.411 -28.4669 -169.947 GPRESSURE: 340600 -155.647 -43.5268 -308.617 -177.6 3.93523 -11.3255 -248.707 -6.95369 -178.476 PRESSAVG: 340600 -34.2173 29.2427 -14.4734 29.2427 -3.32197 61.763 -14.4733 61.763 49.6169 GPRESSAVG: 340600 -36.1474 30.9802 -16.1229 27.0858 -3.75213 62.8914 -14.0938 60.9924 51.6568 TIMING: 340600 CPU: 1007.45, 0.00294472/step Wall: 1007.45, 0.00294472/step, 3.81128 hours remaining, 203.351562 MB of memory in use. ENERGY: 340600 720.9378 2122.4333 1939.6874 118.7270 -205373.3098 17234.3582 0.0000 0.0000 34288.2605 -148948.9056 299.4479 -183237.1662 -148849.4806 299.6837 -138.3750 -110.0627 557928.8298 4.0259 3.9191 PRESSURE: 340800 -22.3439 40.3529 212.001 40.353 -99.5136 65.9292 212.001 65.9286 -100.137 GPRESSURE: 340800 38.1305 -0.686904 295.157 84.894 -65.9711 10.4765 188.263 184.318 -96.806 PRESSAVG: 340800 -54.9277 -1.49184 -33.8816 -1.49176 31.7702 17.553 -33.8816 17.5531 18.2721 GPRESSAVG: 340800 -54.7492 -3.90085 -34.5409 1.58827 32.1697 17.9423 -33.276 17.5565 17.8099 TIMING: 340800 CPU: 1008.03, 0.00292293/step Wall: 1008.03, 0.00292293/step, 3.78293 hours remaining, 203.351562 MB of memory in use. ENERGY: 340800 733.0324 2076.2814 1916.7170 116.3609 -205841.2817 17451.5596 0.0000 0.0000 34499.1398 -149048.1907 301.2896 -183547.3304 -148949.5433 299.9469 -73.9981 -41.5489 556531.1765 -1.6285 -1.5899 PRESSURE: 341000 -221.711 33.7976 -8.30159 33.798 -102.78 163.333 -8.30315 163.333 -73.7165 GPRESSURE: 341000 -229.013 61.4527 17.6573 -64.1351 -52.7608 77.7623 -82.1828 216.999 -26.4515 PRESSAVG: 341000 19.9626 -28.2362 -37.0054 -28.2362 32.3176 3.99095 -37.0055 3.99107 2.48815 GPRESSAVG: 341000 19.0481 -24.4201 -36.5106 -32.0031 32.139 1.46564 -38.9552 6.19759 3.62783 TIMING: 341000 CPU: 1008.62, 0.00295211/step Wall: 1008.62, 0.00295211/step, 3.82052 hours remaining, 203.351562 MB of memory in use. ENERGY: 341000 766.7624 2058.0276 1948.8561 113.5144 -206084.3147 17665.3082 0.0000 0.0000 34319.4073 -149212.4386 299.7199 -183531.8459 -149115.5131 299.9073 -132.7358 -102.7418 557104.1667 18.2561 18.2717 PRESSURE: 341200 -142.376 87.8675 -65.3953 87.867 -275.264 62.0045 -65.3951 62.0039 -287.007 GPRESSURE: 341200 -99.5056 75.7932 -145.74 201.941 -242.679 77.8114 -64.8499 42.6342 -258.211 PRESSAVG: 341200 -8.97926 -62.0839 -42.8525 -62.084 -3.2622 29.4589 -42.8525 29.4588 46.9156 GPRESSAVG: 341200 -7.65028 -64.3588 -42.7307 -59.2568 -3.10323 30.4638 -40.2046 26.5445 45.5122 TIMING: 341200 CPU: 1009.21, 0.00295448/step Wall: 1009.21, 0.00295448/step, 3.82342 hours remaining, 203.351562 MB of memory in use. ENERGY: 341200 726.1711 2097.9606 1909.2883 103.0287 -205937.3521 17595.8608 0.0000 0.0000 34284.6352 -149220.4074 299.4162 -183505.0426 -149122.2142 299.4889 -234.8824 -200.1317 558129.3936 11.5580 11.5862 PRESSURE: 341400 -127.455 -134.812 -52.0669 -134.813 -267.449 -59.5291 -52.0664 -59.529 -56.3672 GPRESSURE: 341400 -50.6854 -71.9208 36.8644 -131.843 -305.888 -133.498 -103.717 -56.9416 0.458575 PRESSAVG: 341400 -60.9293 -27.2017 -1.429 -27.2017 -28.93 26.4725 -1.42896 26.4725 86.9046 GPRESSAVG: 341400 -60.8809 -28.4079 0.185276 -26.6237 -30.3771 28.4581 -2.37093 26.7049 88.0074 TIMING: 341400 CPU: 1009.8, 0.00295725/step Wall: 1009.8, 0.00295725/step, 3.82684 hours remaining, 203.351562 MB of memory in use. ENERGY: 341400 749.7135 2047.9499 1947.4046 113.1498 -206107.7000 17650.7353 0.0000 0.0000 34528.3864 -149070.3607 301.5450 -183598.7470 -148981.6051 299.4567 -150.4236 -118.7048 558187.2198 -0.9849 -1.0835 PRESSURE: 341600 -112.617 -16.5227 11.8151 -16.5233 89.7659 -112.027 11.8165 -112.027 36.6407 GPRESSURE: 341600 -63.4431 -62.7411 -27.872 68.5056 39.2823 -140.985 -45.2415 -124.541 134.3 PRESSAVG: 341600 -46.3346 15.7633 3.41235 15.7634 -45.4346 -53.1493 3.41238 -53.1491 77.8933 GPRESSAVG: 341600 -46.8971 18.0688 1.7708 15.4228 -45.4429 -54.8736 1.78716 -51.4112 78.8156 TIMING: 341600 CPU: 1010.39, 0.00294161/step Wall: 1010.39, 0.00294161/step, 3.80645 hours remaining, 203.351562 MB of memory in use. ENERGY: 341600 741.8306 2057.0009 1936.3900 111.1154 -206079.4047 17782.9669 0.0000 0.0000 34193.5007 -149256.6001 298.6203 -183450.1008 -149157.8051 298.9552 4.5965 36.7130 558199.9726 -4.6253 -4.5081 PRESSURE: 341800 -73.1345 -177.42 -125.394 -177.421 294.257 -27.4232 -125.393 -27.4252 -60.0493 GPRESSURE: 341800 -5.65215 -163.417 -154.48 -102.848 290.254 1.49388 4.87369 -65.5663 -34.4832 PRESSAVG: 341800 -60.4362 -31.0565 22.4478 -31.0564 27.4592 -11.8083 22.4478 -11.8083 15.1534 GPRESSAVG: 341800 -60.35 -32.421 22.7906 -30.9083 27.7936 -10.6748 23.8431 -13.5521 15.1445 TIMING: 341800 CPU: 1010.98, 0.00295296/step Wall: 1010.98, 0.00295296/step, 3.82097 hours remaining, 203.351562 MB of memory in use. ENERGY: 341800 706.1199 2088.1574 1938.6069 102.5349 -206767.3755 18265.6403 0.0000 0.0000 34283.2341 -149383.0820 299.4040 -183666.3161 -149285.3699 298.6905 53.6912 83.3728 558952.2091 -5.9412 -5.8040 PRESSURE: 342000 307.909 34.3043 237.005 34.3048 -16.9384 -210.17 237.004 -210.171 77.5549 GPRESSURE: 342000 357.164 33.5287 196.049 59.7453 -32.0213 -258.002 285.59 -139.514 131.919 PRESSAVG: 342000 5.32874 -5.81568 -2.58515 -5.81559 -12.246 -53.7234 -2.58512 -53.7234 11.0442 GPRESSAVG: 342000 6.23447 -5.73744 -4.30252 -4.49137 -12.0602 -54.291 -2.31196 -53.371 10.7017 TIMING: 342000 CPU: 1011.57, 0.00295717/step Wall: 1011.57, 0.00295716/step, 3.82624 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: 342000 742.6197 2071.1836 1960.6540 112.8524 -206188.4114 17842.7517 0.0000 0.0000 34169.5619 -149288.7881 298.4113 -183458.3501 -149190.3569 298.5051 122.8418 152.3536 558035.7076 1.3757 1.6253 PRESSURE: 342200 -86.9464 -55.4385 108.531 -55.4385 -77.5843 57.8316 108.53 57.8297 -114.798 GPRESSURE: 342200 -77.9658 -48.8434 192.859 15.9969 -22.8177 59.6641 90.1011 46.9885 -87.5969 PRESSAVG: 342200 -2.86606 -7.08994 20.8011 -7.08998 29.8121 -13.724 20.8011 -13.724 -71.4613 GPRESSAVG: 342200 -4.30204 -7.94884 20.7393 -7.12816 30.369 -14.6304 22.2303 -13.0122 -70.589 TIMING: 342200 CPU: 1012.16, 0.00294067/step Wall: 1012.16, 0.00294067/step, 3.80473 hours remaining, 203.351562 MB of memory in use. ENERGY: 342200 732.4588 2064.5481 1973.6379 111.6355 -206328.1745 17871.3674 0.0000 0.0000 34355.0198 -149219.5070 300.0309 -183574.5269 -149124.7280 298.9665 -93.1097 -62.7934 559110.1616 -14.8384 -14.8407 PRESSURE: 342400 -62.9884 86.2074 -32.4543 86.2067 148.768 -45.9964 -32.4535 -45.9972 34.0882 GPRESSURE: 342400 -14.7088 78.6929 -49.0061 89.4181 159.297 -53.8944 -32.3719 -105.126 65.0559 PRESSAVG: 342400 31.3128 10.6375 -7.78134 10.6375 39.669 -42.1071 -7.7814 -42.1071 -69.2032 GPRESSAVG: 342400 32.2273 11.4239 -5.03193 11.3703 39.4134 -41.3879 -9.58624 -44.0776 -69.8187 TIMING: 342400 CPU: 1012.75, 0.00293869/step Wall: 1012.75, 0.00293869/step, 3.80201 hours remaining, 203.351562 MB of memory in use. ENERGY: 342400 729.4619 2131.4339 1960.1049 110.8756 -206250.9173 17917.5800 0.0000 0.0000 34412.5203 -148988.9406 300.5331 -183401.4609 -148893.0986 300.0647 39.9560 69.8814 559277.4688 0.5929 0.6073 PRESSURE: 342600 92.692 -45.7976 100.975 -45.7983 -232.169 -44.0929 100.975 -44.0898 -177.487 GPRESSURE: 342600 180.282 -111.809 77.3933 53.0115 -211.976 -54.0384 74.5409 19.0004 -195.592 PRESSAVG: 342600 1.38055 -41.2054 -28.1509 -41.2053 28.5005 -21.7657 -28.1508 -21.7655 -22.6218 GPRESSAVG: 342600 1.46636 -43.2022 -29.8652 -42.8756 29.3425 -21.4846 -29.064 -20.4489 -23.1246 TIMING: 342600 CPU: 1013.34, 0.00294566/step Wall: 1013.34, 0.00294566/step, 3.81087 hours remaining, 203.351562 MB of memory in use. ENERGY: 342600 718.1311 2108.8760 1952.6049 107.2751 -206158.6013 17756.0553 0.0000 0.0000 34427.1886 -149088.4703 300.6612 -183515.6589 -149000.9838 299.2522 -105.6546 -75.7620 559534.1463 2.4197 2.5614 PRESSURE: 342800 -207.104 -178.364 111.045 -178.365 154.435 128.828 111.044 128.83 -142.949 GPRESSURE: 342800 -181.511 -123.718 142.756 -214.352 172.084 116.907 93.4169 112.96 -92.9745 PRESSAVG: 342800 43.112 0.0864421 -40.1329 0.0864517 -1.47233 6.40856 -40.133 6.40851 -56.7274 GPRESSAVG: 342800 43.3409 -1.33006 -39.9371 0.225103 -2.20923 7.28275 -38.2269 5.80828 -56.5221 TIMING: 342800 CPU: 1013.93, 0.00295579/step Wall: 1013.93, 0.00295579/step, 3.82381 hours remaining, 203.351562 MB of memory in use. ENERGY: 342800 732.0374 2139.6035 1945.6991 107.7963 -206123.5937 17761.5087 0.0000 0.0000 34345.7907 -149091.1580 299.9503 -183436.9487 -148995.4948 299.4611 -65.2063 -34.1338 558425.4091 -5.0293 -5.1302 PRESSURE: 343000 -249.378 -42.5258 141.013 -42.5249 -128.391 1.35806 141.012 1.35561 -11.603 GPRESSURE: 343000 -238.559 -78.2993 168.483 -12.2515 -92.7163 -60.4853 204.582 102.38 22.3549 PRESSAVG: 343000 2.15219 0.854884 0.581025 0.855001 25.2959 8.93519 0.580954 8.93513 -46.0125 GPRESSAVG: 343000 1.1068 4.04783 1.24116 -0.121902 26.7446 7.2195 0.381154 10.2672 -46.8033 TIMING: 343000 CPU: 1014.52, 0.00296417/step Wall: 1014.52, 0.00296417/step, 3.83449 hours remaining, 203.351562 MB of memory in use. ENERGY: 343000 767.5781 2138.9749 1941.3878 110.5766 -205920.9720 17746.6140 0.0000 0.0000 34248.8736 -148966.9670 299.1039 -183215.8406 -148866.8418 298.7524 -129.7909 -102.9734 560870.3813 -6.1881 -6.3173 PRESSURE: 343200 -33.2301 245.53 66.4456 245.53 -131.802 -142.638 66.4455 -142.638 -540.185 GPRESSURE: 343200 -80.0055 174.1 81.3056 327.926 -89.5041 -221.004 95.5152 -111.052 -441.502 PRESSAVG: 343200 23.1746 39.4158 8.19237 39.4158 32.9637 -18.5403 8.19235 -18.5403 -67.3247 GPRESSAVG: 343200 22.9496 37.0829 6.83154 40.9066 31.052 -17.5556 7.81966 -18.7085 -65.2207 TIMING: 343200 CPU: 1015.12, 0.00298012/step Wall: 1015.12, 0.00298012/step, 3.85495 hours remaining, 203.550781 MB of memory in use. ENERGY: 343200 788.2499 2077.2375 1958.6395 115.0731 -205613.6541 17456.6809 0.0000 0.0000 34174.7217 -149043.0515 298.4563 -183217.7732 -148942.0223 299.6887 -235.0722 -203.6706 560312.0763 -3.7288 -3.7397 PRESSURE: 343400 -72.2804 115.684 -204.407 115.682 79.5672 -17.5504 -204.408 -17.5505 -215.973 GPRESSURE: 343400 -30.3726 119.406 -272.662 143.024 109.692 -10.6149 -186.077 -53.3576 -182.745 PRESSAVG: 343400 -17.1221 54.9008 2.02697 54.9008 10.9879 -59.4444 2.02694 -59.4443 17.8329 GPRESSAVG: 343400 -15.7269 57.4128 2.9083 52.6208 12.1796 -58.1313 2.63576 -63.1041 15.0406 TIMING: 343400 CPU: 1015.71, 0.00297264/step Wall: 1015.71, 0.00297264/step, 3.84511 hours remaining, 203.550781 MB of memory in use. ENERGY: 343400 725.6503 2136.1122 1943.5394 116.7132 -206136.6930 17829.0324 0.0000 0.0000 34340.6409 -149045.0045 299.9054 -183385.6454 -148944.0886 299.7507 -69.5622 -34.4750 558278.3938 3.8995 3.8311 PRESSURE: 343600 112.286 42.3759 36.6524 42.3756 166.688 -21.9607 36.653 -21.9631 39.0825 GPRESSURE: 343600 127.105 10.9274 36.2404 -25.3939 208.153 -14.741 51.6235 41.3737 85.232 PRESSAVG: 343600 44.1355 -41.9301 -10.0721 -41.9301 51.307 14.8969 -10.072 14.8968 -10.7535 GPRESSAVG: 343600 43.3627 -41.7001 -10.0224 -41.5142 50.4322 13.1405 -10.5795 16.5263 -9.7679 TIMING: 343600 CPU: 1016.3, 0.00295142/step Wall: 1016.3, 0.00295142/step, 3.8175 hours remaining, 203.550781 MB of memory in use. ENERGY: 343600 744.7984 2095.6758 1984.7087 106.1058 -206626.1937 18192.4816 0.0000 0.0000 34341.6410 -149160.7823 299.9141 -183502.4233 -149065.5847 300.0105 106.0189 140.1631 558106.4678 28.2297 28.0090 PRESSURE: 343800 201.531 17.6059 -162.007 17.6072 -36.7448 35.154 -162.006 35.1535 146.389 GPRESSURE: 343800 233.029 -5.06614 -140.986 -45.9789 -12.0198 98.7404 -116.56 24.9741 188.105 PRESSAVG: 343800 10.0301 -11.7253 42.2214 -11.7252 -20.7123 5.23968 42.2215 5.23967 -18.9848 GPRESSAVG: 343800 9.92995 -14.5956 40.347 -10.9514 -20.2343 5.02498 43.563 8.44317 -19.144 TIMING: 343800 CPU: 1016.89, 0.00294201/step Wall: 1016.89, 0.00294201/step, 3.80517 hours remaining, 203.550781 MB of memory in use. ENERGY: 343800 724.5296 2118.2917 1930.3550 110.6697 -206386.6637 17870.1664 0.0000 0.0000 34257.3364 -149375.3149 299.1778 -183632.6513 -149273.4933 299.4832 103.7251 136.3714 556378.5874 -9.8890 -9.8161 PRESSURE: 344000 3.52177 47.8681 -25.5093 47.8691 -171.374 18.2025 -25.5108 18.2013 -164.112 GPRESSURE: 344000 -9.10134 114.181 -30.1974 56.7358 -88.4439 -64.7676 -63.2046 21.5385 -127.987 PRESSAVG: 344000 -28.3192 4.76152 -25.5881 4.76146 7.33892 -16.6235 -25.588 -16.6235 60.1223 GPRESSAVG: 344000 -28.3094 6.15214 -24.4847 5.13655 6.24395 -17.8531 -26.8277 -18.5357 60.7033 TIMING: 344000 CPU: 1017.48, 0.00294871/step Wall: 1017.48, 0.00294871/step, 3.81366 hours remaining, 203.550781 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: 344000 755.2952 2177.2850 1972.1845 121.2839 -206447.1928 17789.6314 0.0000 0.0000 34227.6179 -149403.8948 298.9183 -183631.5127 -149309.7272 298.9432 -110.6548 -75.1775 557156.5469 13.0473 12.8793 PRESSURE: 344200 118.473 57.9969 -45.1254 57.9964 -196.043 -89.1269 -45.1257 -89.1265 19.0819 GPRESSURE: 344200 158.244 76.2012 -108.141 29.2955 -137.81 -99.669 -67.1715 -51.4122 23.0517 PRESSAVG: 344200 11.0872 17.9697 -33.9155 17.9697 -10.012 -1.95236 -33.9154 -1.95248 8.74685 GPRESSAVG: 344200 9.87464 19.4291 -36.7016 18.0938 -7.77014 -1.18022 -31.4244 -3.24127 7.80378 TIMING: 344200 CPU: 1018.07, 0.00293073/step Wall: 1018.07, 0.00293073/step, 3.79025 hours remaining, 203.550781 MB of memory in use. ENERGY: 344200 731.7789 2105.5893 1904.1396 114.7039 -206375.8011 17776.2046 0.0000 0.0000 34455.2030 -149288.1817 300.9059 -183743.3847 -149195.7141 298.8644 -19.4959 14.4951 557684.0032 3.2740 3.3028 LDB: ============= START OF LOAD BALANCING ============== 1021.49 LDB: ============== END OF LOAD BALANCING =============== 1021.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1021.49 LDB: ============= START OF LOAD BALANCING ============== 1021.79 LDB: Largest compute 4848 load 0.031921 is 27.1% of average load 0.117628 LDB: Average compute 0.001743 is 1.5% of average load 0.117628 LDB: TIME 1021.79 LOAD: AVG 0.117628 MAX 0.193806 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.375 MB LDB: TIME 1021.79 LOAD: AVG 0.117628 MAX 0.193806 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.375 MB LDB: TIME 1021.79 LOAD: AVG 0.117628 MAX 0.193806 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1021.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1021.8 PRESSURE: 344400 346.492 118.489 -42.3367 118.49 -28.2313 3.19696 -42.3356 3.19459 -89.6655 GPRESSURE: 344400 357.178 112.208 16.4627 9.38434 19.5705 -42.834 -67.6176 -6.99089 -54.3396 PRESSAVG: 344400 11.9489 72.8304 -1.0738 72.8303 -0.768405 12.1292 -1.07392 12.1294 12.1584 GPRESSAVG: 344400 12.5364 72.4736 1.24141 72.5744 -2.68688 14.6722 -3.68803 12.5366 13.7131 TIMING: 344400 CPU: 1018.67, 0.00298929/step Wall: 1018.67, 0.00298929/step, 3.86582 hours remaining, 203.402344 MB of memory in use. ENERGY: 344400 699.6622 2130.3511 1942.5847 123.4559 -206111.5804 17751.9061 0.0000 0.0000 34195.1010 -149268.5194 298.6343 -183463.6204 -149175.7507 299.5878 76.1985 107.4695 557311.2753 7.7796 7.8542 PRESSURE: 344600 182.656 -80.7399 -35.5697 -80.7395 220.299 187.351 -35.5683 187.351 335.207 GPRESSURE: 344600 185.471 -212.096 -11.1539 -17.1723 251.919 172.644 -59.9489 193.765 399.866 PRESSAVG: 344600 29.4707 -33.8847 2.78464 -33.8847 18.5994 -21.9501 2.78466 -21.9501 -24.076 GPRESSAVG: 344600 29.9283 -36.1534 2.88277 -31.5274 19.7523 -23.9754 4.3121 -22.1033 -25.2907 TIMING: 344600 CPU: 1019.26, 0.00295392/step Wall: 1019.26, 0.00295392/step, 3.81991 hours remaining, 203.601562 MB of memory in use. ENERGY: 344600 760.8311 2058.7903 1930.9608 107.2629 -206783.9868 18312.3653 0.0000 0.0000 34193.1899 -149420.5864 298.6176 -183613.7763 -149332.7939 299.0115 246.0540 279.0855 555579.7118 7.9980 8.1300 PRESSURE: 344800 -61.6207 -77.7546 92.6917 -77.7549 -82.8288 -158.621 92.6916 -158.62 118.72 GPRESSURE: 344800 12.485 -92.0811 35.6495 -54.4055 -47.1255 -142.099 260.797 -220.382 116.243 PRESSAVG: 344800 7.26456 -1.29545 47.8115 -1.29536 4.87155 -64.3609 47.8115 -64.3607 -7.2801 GPRESSAVG: 344800 8.32542 0.298197 46.5031 -4.15598 3.13596 -63.6587 49.4363 -63.5242 -7.27283 TIMING: 344800 CPU: 1019.85, 0.00297305/step Wall: 1019.85, 0.00297305/step, 3.84448 hours remaining, 203.601562 MB of memory in use. ENERGY: 344800 791.7883 2087.7684 1931.3442 109.0440 -206030.6195 17771.4838 0.0000 0.0000 33916.2947 -149422.8960 296.1994 -183339.1907 -149328.9612 298.5969 -8.5766 27.2009 558062.0598 1.6187 1.3962 PRESSURE: 345000 -7.39088 -178.224 92.1238 -178.223 156.882 31.3373 92.1232 31.3371 74.532 GPRESSURE: 345000 26.5481 -220.443 88.32 -143.141 250.786 43.4091 142.848 1.99852 54.732 PRESSAVG: 345000 -0.678043 9.85757 -19.4453 9.85762 -1.48614 -42.9766 -19.4452 -42.9767 -15.5634 GPRESSAVG: 345000 -1.25357 11.5503 -17.3751 11.3586 0.137228 -42.0908 -20.1711 -45.6641 -16.1135 TIMING: 345000 CPU: 1020.44, 0.00294622/step Wall: 1020.44, 0.00294622/step, 3.80962 hours remaining, 203.601562 MB of memory in use. ENERGY: 345000 804.8592 2100.3111 1961.3513 110.5137 -206249.9750 18038.6212 0.0000 0.0000 33997.3470 -149236.9714 296.9073 -183234.3184 -149145.7825 298.6059 74.6743 110.6888 558181.9796 -5.9092 -5.7433 PRESSURE: 345200 -139.797 -70.8321 -102.67 -70.8311 -56.207 -175.283 -102.668 -175.282 -40.0327 GPRESSURE: 345200 -45.0862 -88.7058 -99.5684 -118.297 -70.8084 -199.665 -181.446 -35.6298 -21.4218 PRESSAVG: 345200 35.0199 9.20078 -44.9348 9.20079 -81.165 -22.9618 -44.9348 -22.9619 61.4638 GPRESSAVG: 345200 35.2659 5.448 -44.8872 10.8893 -82.7226 -24.678 -46.6434 -21.5327 62.9055 TIMING: 345200 CPU: 1021.04, 0.00298043/step Wall: 1021.04, 0.00298043/step, 3.8537 hours remaining, 203.601562 MB of memory in use. ENERGY: 345200 754.3279 2157.9307 1944.5486 123.4636 -206162.0703 17692.0496 0.0000 0.0000 34459.7640 -149029.9859 300.9457 -183489.7498 -148932.9146 299.8286 -78.6788 -45.7721 559388.9635 5.1063 5.1496 PRESSURE: 345400 37.6919 -0.810974 39.408 -0.811515 -174.357 156.563 39.4075 156.565 -46.5969 GPRESSURE: 345400 36.5574 59.1711 36.2998 -17.9359 -127.967 68.0693 42.5492 200.304 15.9535 PRESSAVG: 345400 12.4082 18.7097 -35.9068 18.7097 34.0306 7.67803 -35.9068 7.67799 0.609019 GPRESSAVG: 345400 11.2017 21.3815 -36.7129 16.7862 35.1855 9.78177 -35.6501 8.03755 1.27137 TIMING: 345400 CPU: 1021.63, 0.00295038/step Wall: 1021.63, 0.00295038/step, 3.81467 hours remaining, 203.601562 MB of memory in use. ENERGY: 345400 776.1458 2130.4422 1938.0941 99.5613 -206652.2420 18041.4418 0.0000 0.0000 34546.4661 -149120.0907 301.7029 -183666.5568 -149024.3290 299.7289 -61.0873 -25.1520 557817.1982 15.6826 15.8862 PRESSURE: 345600 63.4138 21.6536 107.884 21.6543 48.3919 166.218 107.884 166.219 -176.515 GPRESSURE: 345600 107.929 -54.6148 96.0033 -14.7113 27.4625 170.955 130.111 151.482 -108.723 PRESSAVG: 345600 26.04 29.8706 21.6512 29.8706 -9.80303 -27.0731 21.6513 -27.0731 -1.02078 GPRESSAVG: 345600 26.6976 28.7105 22.1203 31.2018 -9.67634 -26.6052 19.6206 -29.1241 -2.28958 TIMING: 345600 CPU: 1022.22, 0.00296149/step Wall: 1022.22, 0.00296149/step, 3.82887 hours remaining, 203.601562 MB of memory in use. ENERGY: 345600 733.3343 2114.4992 1946.9532 113.6328 -206093.2902 17758.9802 0.0000 0.0000 34357.4305 -149068.4600 300.0520 -183425.8905 -148976.5489 299.7898 -21.5696 8.8892 558021.7312 5.0721 4.9106 PRESSURE: 345800 -65.9432 60.7194 -105.407 60.7172 -25.2964 -45.2881 -105.409 -45.2888 509.093 GPRESSURE: 345800 2.96709 26.0195 -115.783 42.4437 39.2158 25.3564 -135.215 -46.107 472.174 PRESSAVG: 345800 -41.819 -16.44 -12.3762 -16.44 0.296929 -1.44911 -12.3761 -1.4491 -1.50758 GPRESSAVG: 345800 -40.7738 -16.4721 -11.3982 -18.9523 0.488426 -2.2891 -9.14602 0.923379 -2.58536 TIMING: 345800 CPU: 1022.81, 0.00295747/step Wall: 1022.81, 0.00295747/step, 3.82352 hours remaining, 203.601562 MB of memory in use. ENERGY: 345800 738.9507 2091.3184 1970.4517 114.5802 -206261.3284 17944.6158 0.0000 0.0000 34321.2765 -149080.1351 299.7362 -183401.4117 -148985.2499 299.4904 139.2843 171.4524 557621.0973 -14.3432 -14.2903 PRESSURE: 346000 133.177 55.8028 -77.0863 55.8025 -92.7701 91.962 -77.0864 91.9619 337.78 GPRESSURE: 346000 219.199 71.4825 -56.5368 84.0075 -27.4142 -20.3901 -38.4961 140.347 279.605 PRESSAVG: 346000 -45.8686 -8.03499 7.17587 -8.03504 -19.0032 35.4726 7.17589 35.4727 55.5887 GPRESSAVG: 346000 -46.5831 -9.21934 5.94683 -5.16102 -18.4681 36.075 4.67335 34.8868 55.983 TIMING: 346000 CPU: 1023.41, 0.00297396/step Wall: 1023.41, 0.00297396/step, 3.84467 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: 346000 721.2749 2114.5850 1954.5926 101.1576 -206223.9210 17955.8350 0.0000 0.0000 34184.9899 -149191.4860 298.5460 -183376.4760 -149095.6083 298.6904 126.0622 157.1300 557739.7533 -3.0943 -3.0228 PRESSURE: 346200 -19.4352 -122.755 10.9218 -122.754 -28.4743 -139.296 10.9214 -139.295 -16.8815 GPRESSURE: 346200 31.0022 -99.8292 -38.3778 -230.775 -0.111415 -88.5893 16.6323 -101.121 7.35509 PRESSAVG: 346200 -9.81446 60.2122 -44.82 60.2121 -17.2801 52.5178 -44.82 52.5177 38.5972 GPRESSAVG: 346200 -9.46892 62.6106 -45.6516 58.2461 -17.1119 51.8247 -41.435 53.5146 38.9931 TIMING: 346200 CPU: 1024, 0.00297163/step Wall: 1024, 0.00297163/step, 3.84149 hours remaining, 203.601562 MB of memory in use. ENERGY: 346200 745.3741 2080.2711 1950.0307 107.2309 -206098.7831 17904.8993 0.0000 0.0000 34150.0305 -149160.9466 298.2407 -183310.9771 -149066.9224 299.0046 -21.5970 12.7486 559807.9624 3.8342 4.1374 PRESSURE: 346400 -137.36 116.659 -86.7314 116.658 164.363 203.052 -86.7308 203.054 -196.936 GPRESSURE: 346400 -119.137 233.665 -3.20688 60.721 200.866 302.938 -49.8464 140.398 -158.877 PRESSAVG: 346400 -14.0777 36.3746 -18.3955 36.3746 12.7781 -24.3013 -18.3956 -24.3014 17.2715 GPRESSAVG: 346400 -13.4304 39.1069 -20.2334 37.3184 11.8342 -22.7054 -17.9266 -25.6831 17.5714 TIMING: 346400 CPU: 1024.6, 0.00297908/step Wall: 1024.6, 0.00297908/step, 3.85096 hours remaining, 203.601562 MB of memory in use. ENERGY: 346400 734.7702 2109.9055 1961.4203 104.5670 -206162.6633 17846.8572 0.0000 0.0000 34229.1122 -149176.0308 298.9314 -183405.1431 -149078.7161 299.1902 -56.6441 -25.7161 558854.9143 5.3240 5.3251 PRESSURE: 346600 -260.704 38.7259 131.388 38.7269 76.7606 13.0676 131.389 13.0685 -98.2743 GPRESSURE: 346600 -287.441 64.4425 226.156 49.9395 123.974 42.8563 41.0633 -8.64072 -12.9959 PRESSAVG: 346600 43.2806 53.4958 27.0887 53.4959 25.1205 -5.58082 27.0887 -5.58078 -100.198 GPRESSAVG: 346600 41.7138 50.8477 28.44 54.6493 24.4432 -6.20807 26.3277 -6.61605 -98.462 TIMING: 346600 CPU: 1025.19, 0.00297884/step Wall: 1025.19, 0.00297884/step, 3.85048 hours remaining, 203.601562 MB of memory in use. ENERGY: 346600 769.4457 2116.8741 1944.7663 116.9486 -206070.3112 17738.3009 0.0000 0.0000 34274.4650 -149109.5106 299.3274 -183383.9756 -149017.4301 299.2929 -94.0724 -58.8207 558522.0046 -10.5991 -10.7683 PRESSURE: 346800 -6.71793 -14.0758 211.308 -14.0768 -28.3445 164.521 211.308 164.521 -132.848 GPRESSURE: 346800 16.0844 -62.5916 242.892 -19.5473 29.3885 179.226 173.095 174.763 -131.12 PRESSAVG: 346800 -19.4378 -21.4886 12.6073 -21.4886 63.145 34.9501 12.6073 34.9502 5.41268 GPRESSAVG: 346800 -18.1507 -23.1734 14.681 -21.0873 63.4916 36.5012 10.4093 35.8744 3.49538 TIMING: 346800 CPU: 1025.79, 0.00296589/step Wall: 1025.79, 0.00296589/step, 3.83358 hours remaining, 203.601562 MB of memory in use. ENERGY: 346800 759.0905 2123.8669 1976.9648 122.7801 -206136.9095 17841.9784 0.0000 0.0000 34293.0852 -149019.1436 299.4900 -183312.2288 -148931.9858 299.4555 -55.9703 -28.5490 558461.2090 16.3733 16.2787 PRESSURE: 347000 32.7177 3.86436 16.6094 3.86463 -72.0671 41.7809 16.61 41.7804 -72.1467 GPRESSURE: 347000 16.382 -27.1097 30.8033 0.192988 -33.9546 130.04 -0.398498 -86.2999 -7.43846 PRESSAVG: 347000 -33.281 8.34697 -5.75594 8.34691 38.0019 4.10799 -5.75598 4.10799 10.4168 GPRESSAVG: 347000 -33.682 11.3966 -7.65033 5.91597 38.0039 3.70422 -4.86645 3.2794 10.5788 TIMING: 347000 CPU: 1026.38, 0.00298548/step Wall: 1026.38, 0.00298548/step, 3.85873 hours remaining, 203.601562 MB of memory in use. ENERGY: 347000 762.8531 2025.8850 1945.6449 118.4470 -206352.3600 18053.8160 0.0000 0.0000 34247.2200 -149198.4940 299.0895 -183445.7140 -149108.8782 299.6991 -37.1653 -8.3370 558567.9154 5.0459 4.9669 PRESSURE: 347200 -9.47794 -193.066 -90.9535 -193.065 -126.559 -55.5223 -90.9534 -55.5226 -183.736 GPRESSURE: 347200 49.0237 -245.275 3.36709 -248.975 -128.975 -91.4365 -119.994 88.3765 -135.676 PRESSAVG: 347200 -68.667 33.4285 60.8545 33.4287 16.698 -40.0625 60.8545 -40.0625 37.864 GPRESSAVG: 347200 -68.6584 34.3993 60.9083 34.055 16.5698 -41.4333 59.6804 -38.4988 38.1049 TIMING: 347200 CPU: 1026.98, 0.00297512/step Wall: 1026.98, 0.00297512/step, 3.84517 hours remaining, 203.601562 MB of memory in use. ENERGY: 347200 766.8411 2086.0556 1952.0084 103.5001 -206359.0374 17904.1088 0.0000 0.0000 34222.8874 -149323.6360 298.8770 -183546.5234 -149231.1044 298.7695 -106.5911 -71.8756 558167.4539 -4.7017 -4.6612 PRESSURE: 347400 107.43 43.9349 -170.002 43.9339 -165.701 110.653 -170.002 110.651 262.65 GPRESSURE: 347400 134.469 90.1344 -107.795 10.0781 -117.696 83.2976 -251.323 80.0778 275.474 PRESSAVG: 347400 -24.3617 27.9613 -43.4 27.9615 -60.9814 21.804 -43.4 21.804 39.7112 GPRESSAVG: 347400 -26.447 25.9037 -41.4183 29.4704 -61.2426 22.1174 -43.9255 19.8031 41.7217 TIMING: 347400 CPU: 1027.57, 0.00297973/step Wall: 1027.57, 0.00297973/step, 3.85097 hours remaining, 203.601562 MB of memory in use. ENERGY: 347400 769.1700 2058.5568 1942.6466 105.4157 -206460.2438 18017.7212 0.0000 0.0000 34528.3534 -149038.3800 301.5447 -183566.7334 -148947.6695 299.3377 68.1264 97.4154 557755.7993 -15.2106 -15.3226 PRESSURE: 347600 9.19406 100.73 -116.881 100.729 96.1005 -6.35617 -116.882 -6.358 -80.0853 GPRESSURE: 347600 58.1248 136.668 -51.2407 65.3461 94.2858 -30.5866 -213.093 83.7179 -39.3181 PRESSAVG: 347600 -28.2611 46.4535 14.6604 46.4535 -15.1741 55.3341 14.6604 55.3341 64.2042 GPRESSAVG: 347600 -26.5477 45.7661 12.3783 44.5295 -15.2648 56.3255 16.5704 55.3498 62.7509 TIMING: 347600 CPU: 1028.17, 0.00296877/step Wall: 1028.17, 0.00296877/step, 3.83663 hours remaining, 203.601562 MB of memory in use. ENERGY: 347600 746.8882 2093.3149 1962.2431 99.1807 -206354.2567 18105.8726 0.0000 0.0000 34295.5814 -149051.1757 299.5118 -183346.7571 -148958.1580 298.9857 8.4031 37.6975 559062.3887 6.9230 6.9795 PRESSURE: 347800 -90.1606 -5.76258 -118.666 -5.76336 -207.473 -62.8916 -118.665 -62.8909 -264.881 GPRESSURE: 347800 -30.3485 54.5365 -23.4142 29.8073 -161.089 5.26024 -206.864 -67.3214 -287.761 PRESSAVG: 347800 41.7619 15.7688 -11.4213 15.7687 -4.51585 11.3101 -11.4212 11.3101 -29.1026 GPRESSAVG: 347800 43.0701 13.0898 -11.4492 20.1 -4.5139 9.31724 -11.8308 13.0509 -30.5416 TIMING: 347800 CPU: 1028.76, 0.00296068/step Wall: 1028.76, 0.00296068/step, 3.82602 hours remaining, 203.601562 MB of memory in use. ENERGY: 347800 783.5329 2075.3075 1955.4271 119.2967 -206092.8413 17734.7586 0.0000 0.0000 34507.5147 -148917.0038 301.3627 -183424.5185 -148813.0487 299.8129 -187.5050 -159.7330 558540.7944 2.7145 2.6715 PRESSURE: 348000 92.9271 49.6139 192.426 49.6132 -25.377 98.1015 192.426 98.1025 213.347 GPRESSURE: 348000 72.0544 40.3448 130.864 45.2146 53.4909 23.1774 131.481 3.94889 248.46 PRESSAVG: 348000 -36.9464 20.4074 27.7486 20.4074 -16.7335 7.88393 27.7485 7.88391 35.2481 GPRESSAVG: 348000 -38.8745 22.2594 25.9236 18.1181 -15.4885 8.19151 26.9592 7.3228 35.8436 TIMING: 348000 CPU: 1029.35, 0.00297149/step Wall: 1029.35, 0.00297149/step, 3.83982 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: 348000 787.3614 2097.5922 1932.2200 106.8962 -205930.7009 17855.3834 0.0000 0.0000 34329.3386 -148821.9092 299.8067 -183151.2477 -148723.4670 300.5998 93.6324 124.6684 558406.1914 -6.1439 -6.1731 PRESSURE: 348200 -243.618 250.958 110.118 250.958 -214.551 -75.8033 110.117 -75.8019 -394.356 GPRESSURE: 348200 -281.663 262.788 145.231 192.201 -182.588 -135.713 98.9553 -105.686 -284.687 PRESSAVG: 348200 2.31625 70.9661 20.4186 70.9661 -22.9993 0.740146 20.4186 0.740129 27.8308 GPRESSAVG: 348200 2.4149 71.5916 21.4589 68.2325 -23.8331 1.63041 20.4838 -0.369767 28.8454 TIMING: 348200 CPU: 1029.95, 0.00296182/step Wall: 1029.95, 0.00296182/step, 3.82716 hours remaining, 203.601562 MB of memory in use. ENERGY: 348200 729.3923 2068.8296 1955.8964 117.9411 -205510.9969 17232.4146 0.0000 0.0000 34378.5774 -149027.9455 300.2367 -183406.5229 -148930.7838 300.8957 -284.1752 -249.6460 557068.5783 2.3826 2.4757 LDB: ============= START OF LOAD BALANCING ============== 1033.37 LDB: ============== END OF LOAD BALANCING =============== 1033.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1033.37 LDB: ============= START OF LOAD BALANCING ============== 1033.67 LDB: Largest compute 4848 load 0.030926 is 26.3% of average load 0.117638 LDB: Average compute 0.001736 is 1.5% of average load 0.117638 LDB: TIME 1033.67 LOAD: AVG 0.117638 MAX 0.194742 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.988 MB LDB: TIME 1033.67 LOAD: AVG 0.117638 MAX 0.194742 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.047 MB LDB: TIME 1033.67 LOAD: AVG 0.117638 MAX 0.194742 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.047 MB LDB: ============== END OF LOAD BALANCING =============== 1033.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1033.68 PRESSURE: 348400 -207.076 34.2866 -91.8407 34.2866 -91.3592 -65.43 -91.8413 -65.4298 -99.8874 GPRESSURE: 348400 -205.029 35.0681 -119.501 75.0189 -85.6325 -15.6112 -62.3391 -102.014 -8.3142 PRESSAVG: 348400 -19.0722 47.5726 -31.058 47.5726 -9.10115 1.57854 -31.058 1.57865 37.685 GPRESSAVG: 348400 -17.3776 45.5512 -31.1174 49.5337 -10.0825 0.0593803 -32.1 2.90562 36.9535 TIMING: 348400 CPU: 1030.55, 0.00299977/step Wall: 1030.55, 0.00299977/step, 3.87603 hours remaining, 203.558594 MB of memory in use. ENERGY: 348400 771.7142 2047.5772 1960.2902 113.5883 -206156.5383 17813.3091 0.0000 0.0000 34276.1556 -149173.9036 299.3422 -183450.0592 -149072.5616 299.8488 -132.7741 -99.6587 558337.6248 3.1706 3.1645 PRESSURE: 348600 -76.9165 -60.3036 -32.1929 -60.3048 -254.992 107.829 -32.1935 107.829 6.66164 GPRESSURE: 348600 -57.4648 4.63043 -6.78222 -80.9084 -233.399 153.086 -110.261 96.9026 58.0648 PRESSAVG: 348600 15.393 25.0572 0.603507 25.0571 -13.8481 0.957787 0.603495 0.95782 -7.92081 GPRESSAVG: 348600 14.8029 27.7223 1.89868 25.5516 -12.6779 2.59926 0.509635 -0.594248 -7.98344 TIMING: 348600 CPU: 1031.14, 0.00294737/step Wall: 1031.14, 0.00294737/step, 3.80816 hours remaining, 203.558594 MB of memory in use. ENERGY: 348600 773.1048 2051.4692 1936.6677 117.5811 -206139.2055 17671.1531 0.0000 0.0000 34576.4017 -149012.8279 301.9643 -183589.2295 -148913.4557 299.3177 -108.4158 -77.5996 558511.5519 -2.1253 -1.9528 PRESSURE: 348800 169.111 -19.9702 -110.205 -19.9703 -187.156 191.788 -110.206 191.789 283.396 GPRESSURE: 348800 218.923 5.13881 -102.403 -12.316 -142.365 163.452 -66.7157 244.551 287.554 PRESSAVG: 348800 -11.5163 15.4897 -31.2523 15.4896 -12.5695 24.4393 -31.2523 24.4393 62.4543 GPRESSAVG: 348800 -11.3938 14.7676 -32.5973 15.2247 -13.3544 25.0196 -28.7794 25.1615 63.4691 TIMING: 348800 CPU: 1031.73, 0.00295404/step Wall: 1031.73, 0.00295404/step, 3.81662 hours remaining, 203.558594 MB of memory in use. ENERGY: 348800 727.8126 2085.1593 1957.8764 102.3546 -206110.2665 17895.7950 0.0000 0.0000 34298.1848 -149043.0839 299.5346 -183341.2687 -148948.2274 299.7443 88.4502 121.3708 557346.6385 12.7895 12.9070 PRESSURE: 349000 366.988 221.899 116.249 221.898 128.236 -67.5588 116.251 -67.5597 191.571 GPRESSURE: 349000 378.805 258.5 39.1162 234.751 191.709 -11.311 159.365 -67.9877 213.723 PRESSAVG: 349000 86.7492 -14.1943 17.4065 -14.1943 -56.1957 39.3918 17.4065 39.3917 -4.03842 GPRESSAVG: 349000 86.2743 -15.4638 17.7833 -13.3907 -54.8158 37.8261 15.5836 39.7894 -4.55668 TIMING: 349000 CPU: 1032.32, 0.00294908/step Wall: 1032.32, 0.00294908/step, 3.81005 hours remaining, 203.558594 MB of memory in use. ENERGY: 349000 755.4185 2145.9751 1913.2475 126.2848 -206217.6740 18181.1130 0.0000 0.0000 34229.7439 -148865.8912 298.9369 -183095.6352 -148775.7677 299.6236 228.9316 261.4126 558869.5256 8.8383 8.9673 PRESSURE: 349200 98.2744 -59.855 58.7362 -59.8545 -9.1251 -85.9066 58.735 -85.9063 95.3602 GPRESSURE: 349200 94.9305 -40.0922 -55.2277 -80.038 66.7111 -113.243 39.7535 1.47292 113.581 PRESSAVG: 349200 -11.607 -2.12619 -0.578957 -2.12613 49.2918 -7.23547 -0.578865 -7.23541 -60.5139 GPRESSAVG: 349200 -10.852 -2.70539 -3.39852 -1.90999 50.6982 -7.75144 0.981186 -7.72796 -62.1172 TIMING: 349200 CPU: 1032.91, 0.00295593/step Wall: 1032.91, 0.00295593/step, 3.81873 hours remaining, 203.558594 MB of memory in use. ENERGY: 349200 738.3975 2058.0729 1927.4952 99.5695 -206171.6116 17908.6225 0.0000 0.0000 34322.3647 -149117.0893 299.7457 -183439.4540 -149023.2295 299.4389 61.5032 91.7409 558811.9373 -7.6097 -7.4237 PRESSURE: 349400 97.1121 29.9262 24.6659 29.9266 -10.3786 164.629 24.6656 164.631 22.1167 GPRESSURE: 349400 104.565 2.1454 -12.8179 48.1402 42.5737 113.181 45.7651 232.781 63.6505 PRESSAVG: 349400 17.2044 63.7366 -19.8762 63.7365 -25.1984 22.6464 -19.8762 22.6464 -7.8509 GPRESSAVG: 349400 16.1795 64.9397 -17.8551 63.8123 -26.6797 24.1171 -19.9658 22.3539 -5.9627 TIMING: 349400 CPU: 1033.5, 0.00298278/step Wall: 1033.5, 0.00298278/step, 3.85326 hours remaining, 203.812500 MB of memory in use. ENERGY: 349400 787.8907 2072.2986 1955.5425 115.7648 -206503.0358 17992.8415 0.0000 0.0000 34426.0909 -149152.6068 300.6516 -183578.6977 -149054.5857 298.9871 36.2834 70.2630 558278.9300 -5.2816 -5.4876 PRESSURE: 349600 -24.3981 157.334 101.009 157.335 198.956 60.9425 101.009 60.9416 108.297 GPRESSURE: 349600 16.2276 123.16 114.986 173.963 261.84 130.059 148.932 14.4491 105.947 PRESSAVG: 349600 33.0636 -26.5694 11.0936 -26.5694 -13.6729 35.6146 11.0937 35.6145 -3.54286 GPRESSAVG: 349600 33.4669 -26.3029 11.6353 -27.0387 -13.4653 35.699 10.4831 35.5989 -3.96178 TIMING: 349600 CPU: 1034.1, 0.00296483/step Wall: 1034.1, 0.00296483/step, 3.8299 hours remaining, 203.812500 MB of memory in use. ENERGY: 349600 745.8847 2145.8920 1919.7148 95.3017 -206254.3900 18047.7355 0.0000 0.0000 34216.7051 -149083.1563 298.8230 -183299.8614 -148986.6583 299.3548 94.2851 128.0047 557154.9269 5.2826 5.3466 PRESSURE: 349800 -100.129 -172.323 150.846 -172.323 -121.582 -187.445 150.846 -187.444 -65.1205 GPRESSURE: 349800 -74.5903 -139.515 161.466 -188.331 -124.005 -130.318 198.696 -241.392 0.605508 PRESSAVG: 349800 14.0063 -22.1704 48.0224 -22.1704 -4.57961 33.4512 48.0224 33.4511 17.0671 GPRESSAVG: 349800 14.2489 -20.5476 48.9316 -23.1462 -5.48143 34.4625 46.9948 33.8306 18.1751 TIMING: 349800 CPU: 1034.69, 0.0029551/step Wall: 1034.69, 0.0029551/step, 3.81716 hours remaining, 203.812500 MB of memory in use. ENERGY: 349800 751.9173 2081.7529 1946.4304 110.2535 -206002.1085 17593.6363 0.0000 0.0000 34335.3165 -149182.8015 299.8589 -183518.1180 -149081.9250 300.1239 -95.6105 -65.9964 557513.3286 8.8313 8.9809 PRESSURE: 350000 -187.067 41.325 94.1219 41.3249 -267.969 -133.875 94.1225 -133.874 -131.158 GPRESSURE: 350000 -134.523 -17.313 99.3964 52.455 -266.715 -107.624 93.4433 -134.483 -90.8221 PRESSAVG: 350000 -1.29038 -25.6752 77.539 -25.6752 -13.2719 21.7317 77.539 21.7315 -7.22565 GPRESSAVG: 350000 -0.872883 -27.2973 76.8335 -23.8913 -12.5811 20.0466 79.1558 21.2411 -8.10328 TIMING: 350000 CPU: 1035.28, 0.00297976/step Wall: 1035.28, 0.00297976/step, 3.84886 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: 350000 741.3665 2075.5900 1940.9260 126.1382 -205732.1693 17569.2760 0.0000 0.0000 34155.6704 -149123.2021 298.2900 -183278.8725 -149028.6269 299.4608 -195.3978 -164.0201 560277.4115 -7.2626 -7.1858 PRESSURE: 350200 138.538 -88.6459 -61.7085 -88.6458 -41.821 104.508 -61.7086 104.509 23.5946 GPRESSURE: 350200 110.372 -83.4167 -28.2566 -80.8951 68.0111 67.1132 -98.0753 69.4843 34.3268 PRESSAVG: 350200 46.1003 -17.3641 24.6151 -17.3639 -23.8455 54.4242 24.6152 54.4243 8.43471 GPRESSAVG: 350200 46.2094 -16.8576 22.9185 -17.8909 -24.4862 55.5947 24.0734 54.3364 9.21553 TIMING: 350200 CPU: 1035.88, 0.00297199/step Wall: 1035.88, 0.00297199/step, 3.83865 hours remaining, 203.824219 MB of memory in use. ENERGY: 350200 766.4315 2106.3458 1934.1820 107.2819 -206238.7496 17789.6669 0.0000 0.0000 34369.7816 -149165.0599 300.1599 -183534.8414 -149072.2350 299.1460 40.1039 70.9033 558613.2254 10.2298 10.3129 PRESSURE: 350400 -196.796 23.8942 151.63 23.8937 -207.154 204.136 151.63 204.137 -279.345 GPRESSURE: 350400 -161.838 23.5944 171.518 1.49393 -200.262 215.832 145.879 142.663 -225.553 PRESSAVG: 350400 -4.83432 -7.70631 42.419 -7.70616 -89.2545 86.0405 42.4189 86.0406 39.6868 GPRESSAVG: 350400 -4.65236 -7.50092 42.4422 -9.42033 -89.5211 86.5318 41.184 86.6129 39.1682 TIMING: 350400 CPU: 1036.47, 0.00295714/step Wall: 1036.47, 0.00295714/step, 3.81931 hours remaining, 203.824219 MB of memory in use. ENERGY: 350400 770.2376 2059.3940 1931.7440 107.0806 -206168.4802 17755.2762 0.0000 0.0000 34271.0313 -149273.7165 299.2974 -183544.7478 -149171.9151 299.4986 -227.7650 -195.8844 560282.3307 -18.1340 -18.3351 PRESSURE: 350600 187.618 -61.9665 110.571 -61.9656 -59.2487 49.282 110.57 49.2824 -179.668 GPRESSURE: 350600 181.86 -120.329 191.36 35.4548 10.0378 23.8035 71.6175 83.5271 -143.284 PRESSAVG: 350600 2.36153 -17.9702 42.283 -17.9701 -9.75965 -26.789 42.2831 -26.789 7.37751 GPRESSAVG: 350600 2.37599 -17.8243 43.5829 -15.9803 -8.78481 -28.6767 42.4985 -26.0445 6.46599 TIMING: 350600 CPU: 1037.06, 0.00296543/step Wall: 1037.06, 0.00296543/step, 3.82985 hours remaining, 203.824219 MB of memory in use. ENERGY: 350600 773.5998 2057.5458 1946.0493 117.4348 -206284.6436 17815.4275 0.0000 0.0000 34480.2370 -149094.3494 301.1245 -183574.5864 -148999.7764 298.9839 -17.0997 16.2045 558101.3709 -0.0069 0.0191 PRESSURE: 350800 157.159 -23.5606 60.893 -23.5605 -7.23663 -13.6656 60.8927 -13.6646 3.30893 GPRESSURE: 350800 162.227 32.9316 46.9943 16.0089 75.0647 -67.2693 18.6472 44.1576 5.81794 PRESSAVG: 350800 61.2676 16.2008 30.953 16.2008 33.6352 55.1254 30.9531 55.1253 -62.9189 GPRESSAVG: 350800 61.0883 17.6644 30.8301 16.6169 33.1891 58.381 30.4195 54.7557 -62.2323 TIMING: 350800 CPU: 1037.65, 0.00295685/step Wall: 1037.65, 0.00295685/step, 3.81861 hours remaining, 203.824219 MB of memory in use. ENERGY: 350800 721.7343 2094.2081 1940.7564 111.2973 -205801.2039 17762.0902 0.0000 0.0000 34126.4058 -149044.7117 298.0344 -183171.1175 -148943.1284 299.8920 51.0772 81.0365 558111.7933 10.6613 10.6817 PRESSURE: 351000 -86.8852 42.9632 104.808 42.9646 -204.184 32.6907 104.807 32.6918 -39.9207 GPRESSURE: 351000 6.41416 14.2432 169.372 35.3032 -183.958 79.7878 31.9919 96.7096 -63.9608 PRESSAVG: 351000 59.8174 47.0464 -31.7905 47.0464 20.7661 -6.80066 -31.7905 -6.80061 -81.0325 GPRESSAVG: 351000 60.5636 43.2846 -31.4234 45.8482 20.0186 -8.45743 -30.6781 -5.53656 -80.9679 TIMING: 351000 CPU: 1038.24, 0.00295/step Wall: 1038.24, 0.00295/step, 3.8096 hours remaining, 203.824219 MB of memory in use. ENERGY: 351000 752.8883 2054.4610 1930.1727 110.9974 -205920.9934 17811.1385 0.0000 0.0000 34142.2855 -149119.0500 298.1731 -183261.3355 -149023.7975 299.3501 -110.3299 -80.5016 558658.8138 -0.1497 -0.1286 PRESSURE: 351200 -87.8743 -144.577 -35.211 -144.576 6.23096 -61.6018 -35.2103 -61.6027 -9.76623 GPRESSURE: 351200 -130.364 -126.182 -63.0553 -123.1 57.9744 -62.6335 1.99042 -63.692 72.3817 PRESSAVG: 351200 34.361 16.1224 16.0154 16.1224 39.513 20.4781 16.0154 20.478 -88.7779 GPRESSAVG: 351200 33.5833 17.2158 16.551 17.4577 39.5905 20.5428 14.332 18.2576 -88.6808 TIMING: 351200 CPU: 1038.84, 0.00295925/step Wall: 1038.84, 0.00295925/step, 3.82137 hours remaining, 203.824219 MB of memory in use. ENERGY: 351200 748.6577 2049.8491 1925.4129 115.3666 -205850.0611 17738.5168 0.0000 0.0000 34232.2070 -149040.0509 298.9584 -183272.2579 -148942.6283 299.5643 -30.4699 -0.0028 558371.6519 -4.9680 -5.1690 PRESSURE: 351400 -8.34795 -18.0984 144.589 -18.0969 -185.643 -104.623 144.589 -104.623 -180.907 GPRESSURE: 351400 -6.54742 12.7851 62.2935 26.9507 -143.045 -115.85 164.614 14.6634 -126.958 PRESSAVG: 351400 14.7523 13.937 10.5836 13.9369 -21.1162 40.8448 10.5837 40.8448 -25.3939 GPRESSAVG: 351400 15.6189 15.0248 11.35 13.2948 -21.2099 40.4404 10.1529 41.9249 -25.8841 TIMING: 351400 CPU: 1039.42, 0.00293512/step Wall: 1039.42, 0.00293512/step, 3.79006 hours remaining, 203.824219 MB of memory in use. ENERGY: 351400 758.2839 2048.0955 1951.4356 99.7524 -205944.0396 17743.1368 0.0000 0.0000 34373.0149 -148970.3205 300.1881 -183343.3354 -148871.3664 299.3189 -124.9662 -92.1834 558544.3063 -10.5859 -10.4917 PRESSURE: 351600 320.721 -16.8475 -125.989 -16.848 -31.0989 -91.7201 -125.989 -91.7211 33.7371 GPRESSURE: 351600 354.949 27.6106 -167.56 -36.4179 -15.5797 -58.4886 -135.79 -110.049 77.9477 PRESSAVG: 351600 -15.0706 23.321 7.06727 23.321 20.6922 -25.9172 7.0673 -25.9173 -0.744741 GPRESSAVG: 351600 -15.6602 22.5804 5.57642 23.829 20.2494 -24.3119 9.35931 -25.8715 0.218247 TIMING: 351600 CPU: 1040.01, 0.00295235/step Wall: 1040.01, 0.00295235/step, 3.81214 hours remaining, 203.824219 MB of memory in use. ENERGY: 351600 696.0116 2046.8189 1928.8148 103.2872 -206040.4750 17887.4097 0.0000 0.0000 34230.1777 -149147.9551 298.9407 -183378.1328 -149054.8501 298.9486 107.7864 139.1058 558951.7804 1.6256 1.6025 PRESSURE: 351800 3.13393 -23.6508 -23.1077 -23.6513 52.4197 -15.5957 -23.1081 -15.5953 85.7828 GPRESSURE: 351800 46.3434 -111.338 -1.13969 -72.908 112.134 -143.813 -1.23601 3.04229 75.5119 PRESSAVG: 351800 23.0203 19.8314 2.41428 19.8313 -35.5889 32.6004 2.41426 32.6005 -6.26251 GPRESSAVG: 351800 22.5732 19.6307 1.13795 20.8644 -33.9359 30.9323 3.7618 30.4957 -7.35149 TIMING: 351800 CPU: 1040.61, 0.0029897/step Wall: 1040.61, 0.0029897/step, 3.8602 hours remaining, 203.824219 MB of memory in use. ENERGY: 351800 719.8762 2051.3373 1961.7129 125.8900 -206200.5578 17765.9014 0.0000 0.0000 34466.6262 -149109.2140 301.0056 -183575.8401 -149014.6188 299.7087 47.1121 77.9965 557262.8326 -6.2770 -6.2381 PRESSURE: 352000 115.908 19.605 209.431 19.6045 0.183739 21.7877 209.431 21.7874 -185.925 GPRESSURE: 352000 152.152 10.5859 166.811 -46.6582 -5.71291 12.977 156.792 -49.3131 -116.804 PRESSAVG: 352000 -0.710906 44.4606 14.8441 44.4606 -15.4105 24.6874 14.8441 24.6874 26.7411 GPRESSAVG: 352000 0.654923 44.9858 16.6775 41.8774 -17.2568 25.143 13.3298 25.9446 27.3538 TIMING: 352000 CPU: 1041.2, 0.00294231/step Wall: 1041.2, 0.00294231/step, 3.79884 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: 352000 730.9260 2113.8671 1920.9813 108.3241 -206192.0814 17829.7606 0.0000 0.0000 34402.8142 -149085.4081 300.4483 -183488.2223 -148985.4257 299.0381 -23.2778 9.8783 558346.2933 3.5399 3.5840 PRESSURE: 352200 134.097 112.227 152.875 112.226 120.918 104.31 152.876 104.312 121.158 GPRESSURE: 352200 151.113 -8.86563 174.676 84.2704 142.825 23.1916 123.554 47.4754 184.828 PRESSAVG: 352200 12.6036 -13.4431 -1.61339 -13.4432 -1.67475 23.5583 -1.61342 23.5582 -26.0418 GPRESSAVG: 352200 12.1247 -12.055 -0.426492 -12.955 -1.04194 25.0655 -2.08683 23.9556 -25.8623 TIMING: 352200 CPU: 1041.79, 0.00293478/step Wall: 1041.79, 0.00293478/step, 3.78897 hours remaining, 203.824219 MB of memory in use. ENERGY: 352200 767.9267 2061.7196 1964.1841 97.3342 -206037.8517 17771.1428 0.0000 0.0000 34421.6311 -148953.9132 300.6127 -183375.5442 -148862.5353 300.0442 125.3909 159.5890 556083.4424 -5.0377 -4.9265 LDB: ============= START OF LOAD BALANCING ============== 1045.21 LDB: ============== END OF LOAD BALANCING =============== 1045.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1045.21 LDB: ============= START OF LOAD BALANCING ============== 1045.51 LDB: Largest compute 4848 load 0.031314 is 26.6% of average load 0.117802 LDB: Average compute 0.001736 is 1.5% of average load 0.117802 LDB: TIME 1045.51 LOAD: AVG 0.117802 MAX 0.19599 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.297 MB LDB: TIME 1045.51 LOAD: AVG 0.117802 MAX 0.19599 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.355 MB LDB: TIME 1045.51 LOAD: AVG 0.117802 MAX 0.19599 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1045.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1045.52 PRESSURE: 352400 44.8445 162.079 -209.27 162.08 -384.729 120.025 -209.27 120.024 -109.895 GPRESSURE: 352400 23.0034 89.7071 -237.942 156.953 -331.654 139.341 -209.523 108.959 -49.2371 PRESSAVG: 352400 -4.7827 -17.4437 48.7055 -17.4438 34.8249 48.7873 48.7054 48.7872 -4.31453 GPRESSAVG: 352400 -4.60156 -17.9843 48.3832 -16.8242 34.9401 47.1675 50.1345 47.2829 -4.41905 TIMING: 352400 CPU: 1042.39, 0.00300402/step Wall: 1042.39, 0.00300402/step, 3.87819 hours remaining, 202.324219 MB of memory in use. ENERGY: 352400 795.1535 2108.5542 1937.8735 105.7386 -206064.8788 17563.9445 0.0000 0.0000 34652.1049 -148901.5095 302.6255 -183553.6144 -148796.2940 299.9483 -149.9264 -119.2959 556106.5217 8.5759 8.6398 PRESSURE: 352600 -254.836 -58.7598 90.8386 -58.7597 -98.1922 13.8673 90.8379 13.8657 -204.293 GPRESSURE: 352600 -239.874 -57.9315 75.4929 -106.503 -86.0872 -30.3507 49.7198 120.574 -125.524 PRESSAVG: 352600 -7.28322 15.2971 -3.32687 15.297 18.723 -12.2476 -3.32685 -12.2476 1.42704 GPRESSAVG: 352600 -7.33707 16.3019 -7.13002 12.6838 19.3239 -11.996 -2.96811 -11.5533 0.773987 TIMING: 352600 CPU: 1042.97, 0.00293163/step Wall: 1042.97, 0.00293163/step, 3.78457 hours remaining, 202.324219 MB of memory in use. ENERGY: 352600 746.2019 2094.4759 1937.5616 110.1327 -205582.3443 17446.3624 0.0000 0.0000 34262.9793 -148984.6306 299.2271 -183247.6099 -148890.1035 300.3211 -185.7736 -150.4951 558776.1389 4.2890 4.2536 PRESSURE: 352800 -159.081 -104.789 -49.378 -104.788 -380.889 -183.792 -49.3786 -183.792 -118.142 GPRESSURE: 352800 -86.8296 -82.965 7.0523 -107.736 -378.333 -166.682 17.224 -273.401 -97.7314 PRESSAVG: 352800 -61.9284 -24.1878 4.30563 -24.1877 -33.4563 -26.5133 4.30567 -26.5133 83.3915 GPRESSAVG: 352800 -61.9384 -26.5737 5.63562 -20.9596 -34.2035 -26.2301 4.49247 -26.8677 84.1533 TIMING: 352800 CPU: 1043.56, 0.0029475/step Wall: 1043.56, 0.0029475/step, 3.80489 hours remaining, 202.324219 MB of memory in use. ENERGY: 352800 744.8803 2110.6877 1948.4020 112.7221 -205607.9086 17391.2714 0.0000 0.0000 34380.9450 -148919.0000 300.2573 -183299.9450 -148822.6363 300.1719 -219.3710 -187.6313 556963.3703 -3.9977 -3.9962 PRESSURE: 353000 114.901 35.445 -52.4993 35.4443 -189.969 -55.4055 -52.5001 -55.4068 132.499 GPRESSURE: 353000 138.799 66.6907 -60.4186 -9.72292 -115.069 -41.0601 -2.54861 -127.706 125.943 PRESSAVG: 353000 -17.5813 -19.623 32.1759 -19.623 -31.7777 -65.7692 32.1758 -65.7693 31.7081 GPRESSAVG: 353000 -17.3084 -19.3135 32.2378 -20.0738 -32.2021 -66.3388 32.5515 -65.9283 30.8625 TIMING: 353000 CPU: 1044.15, 0.00295404/step Wall: 1044.15, 0.00295404/step, 3.81318 hours remaining, 202.324219 MB of memory in use. ENERGY: 353000 760.7386 2111.7601 1954.9422 128.0485 -206097.7050 17878.5304 0.0000 0.0000 34262.5178 -149001.1674 299.2231 -183263.6853 -148907.8137 299.9112 19.1438 49.8911 556594.8481 -5.8836 -6.2160 PRESSURE: 353200 45.1521 40.5536 -44.4111 40.5532 -19.2894 -50.1149 -44.4125 -50.1145 -98.0402 GPRESSURE: 353200 83.6635 4.5115 -17.9071 27.0411 65.7667 -155.651 -47.3206 13.741 -122.012 PRESSAVG: 353200 124.589 24.8208 -2.90777 24.8209 -12.7829 -28.8126 -2.90776 -28.8126 -34.0957 GPRESSAVG: 353200 123.814 25.8304 -0.489397 22.5398 -11.7014 -28.6603 -5.34759 -27.6127 -34.3318 TIMING: 353200 CPU: 1044.75, 0.00295969/step Wall: 1044.75, 0.00295969/step, 3.8203 hours remaining, 202.324219 MB of memory in use. ENERGY: 353200 808.2945 2109.7030 1935.6925 109.3286 -205800.2118 17715.0132 0.0000 0.0000 34242.8872 -148879.2928 299.0517 -183122.1800 -148786.0631 299.9738 -24.0592 9.1396 558068.6904 25.9033 25.9270 PRESSURE: 353400 96.1268 134.453 54.3455 134.454 484.634 1.77905 54.3441 1.77892 -47.2424 GPRESSURE: 353400 171.558 99.0079 49.7198 142.229 484.382 60.5309 21.4794 -54.644 -18.4363 PRESSAVG: 353400 20.7421 5.67261 7.13326 5.67273 -0.473079 31.9076 7.13327 31.9077 9.50796 GPRESSAVG: 353400 20.6736 4.2955 5.93903 8.78798 -0.485072 31.5356 7.42507 30.9927 9.00115 TIMING: 353400 CPU: 1045.34, 0.00296126/step Wall: 1045.34, 0.00296126/step, 3.82217 hours remaining, 202.324219 MB of memory in use. ENERGY: 353400 702.6608 2108.5882 1956.2381 129.1949 -206202.9936 17936.0196 0.0000 0.0000 34454.2376 -148916.0546 300.8974 -183370.2921 -148807.4370 300.0055 177.8396 212.5014 557932.2631 9.9256 9.7299 PRESSURE: 353600 -209.199 -1.93012 173.673 -1.92938 -79.1473 -166.34 173.672 -166.341 -98.9517 GPRESSURE: 353600 -169.468 6.7911 214.009 -10.018 -66.0429 -225.663 180.833 -107.726 -47.7656 PRESSAVG: 353600 29.039 -6.5121 12.5612 -6.51209 16.1718 18.0666 12.5612 18.0665 -43.9176 GPRESSAVG: 353600 29.4654 -3.66789 11.8634 -9.90428 15.8438 18.3417 13.1074 17.5117 -43.7288 TIMING: 353600 CPU: 1045.93, 0.00294005/step Wall: 1045.93, 0.00294005/step, 3.79462 hours remaining, 202.324219 MB of memory in use. ENERGY: 353600 751.8978 2046.1939 1963.1570 109.1777 -205867.0171 17644.6926 0.0000 0.0000 34356.9459 -148994.9522 300.0478 -183351.8981 -148895.6847 300.2693 -129.0992 -94.4256 557908.3102 0.4311 0.5268 PRESSURE: 353800 205.894 43.4589 7.94275 43.4603 38.4974 -52.7258 7.94224 -52.7256 -20.7031 GPRESSURE: 353800 287.864 -80.8465 66.5284 46.1606 56.1556 -13.3438 -45.222 -82.5319 -27.379 PRESSAVG: 353800 52.9617 -7.06533 -4.70516 -7.06538 2.90819 -16.7247 -4.70521 -16.7246 -107.087 GPRESSAVG: 353800 52.0077 -9.63511 -2.64228 -5.40775 2.03092 -18.0289 -4.41235 -16.4388 -105.764 TIMING: 353800 CPU: 1046.51, 0.00293926/step Wall: 1046.51, 0.00293926/step, 3.79344 hours remaining, 202.324219 MB of memory in use. ENERGY: 353800 736.9301 2072.0593 1942.3984 115.3702 -205945.0486 17803.0980 0.0000 0.0000 34224.8317 -149050.3608 298.8940 -183275.1925 -148951.1843 299.3745 74.5629 105.5467 556820.4685 -17.0723 -17.2417 PRESSURE: 354000 28.7239 95.3915 -48.3557 95.3911 48.2983 7.12345 -48.3566 7.12392 20.6522 GPRESSURE: 354000 74.595 141.959 5.35878 70.4639 33.9978 -7.21772 -104.103 -26.1049 96.9876 PRESSAVG: 354000 70.8525 27.8978 27.5745 27.8978 -26.116 -19.5307 27.5744 -19.5306 -57.9821 GPRESSAVG: 354000 71.6917 27.4996 26.978 28.3128 -25.976 -20.0758 27.0712 -18.9663 -59.1502 TIMING: 354000 CPU: 1047.1, 0.00294413/step Wall: 1047.1, 0.00294413/step, 3.79957 hours remaining, 202.324219 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: 354000 789.8217 2049.8474 1968.2973 107.7585 -206286.6995 17928.6508 0.0000 0.0000 34359.3515 -149082.9722 300.0688 -183442.3237 -148988.3933 299.6681 32.5581 68.5268 555398.6277 -4.4152 -4.4782 PRESSURE: 354200 -462.841 -3.047 128.749 -3.04836 -220.204 -90.9181 128.748 -90.9189 -226.759 GPRESSURE: 354200 -451.9 9.55609 135.499 -23.7711 -183.424 -70.8539 199.564 -59.2695 -180.074 PRESSAVG: 354200 -5.16994 34.7584 37.8739 34.7583 -4.80578 -16.4348 37.8739 -16.4348 46.7698 GPRESSAVG: 354200 -6.57476 34.7292 36.6903 34.067 -3.06524 -15.4429 39.4725 -16.4412 46.3405 TIMING: 354200 CPU: 1047.69, 0.00294794/step Wall: 1047.69, 0.00294794/step, 3.80431 hours remaining, 202.324219 MB of memory in use. ENERGY: 354200 748.8228 2049.0068 1973.8689 108.5185 -205493.8383 17183.0193 0.0000 0.0000 34360.5607 -149070.0413 300.0793 -183430.6020 -148970.6776 299.6665 -303.2681 -271.7995 558310.3707 12.2647 12.2335 PRESSURE: 354400 -74.9693 -55.2956 124.402 -55.2954 -9.18989 -160.301 124.401 -160.302 126.785 GPRESSURE: 354400 -48.5708 14.4882 102.25 -111.395 29.4455 -73.8487 183.269 -172.345 150.493 PRESSAVG: 354400 -67.1417 31.2517 -2.77531 31.2516 11.2486 -128.425 -2.77528 -128.425 11.3015 GPRESSAVG: 354400 -67.0441 31.8428 -2.8616 30.3746 10.5778 -128.198 -3.10457 -127.499 11.9619 TIMING: 354400 CPU: 1048.29, 0.002968/step Wall: 1048.29, 0.002968/step, 3.83004 hours remaining, 202.527344 MB of memory in use. ENERGY: 354400 776.7431 2089.1172 1961.7156 118.3963 -205897.3336 17666.9272 0.0000 0.0000 34187.6515 -149096.7827 298.5693 -183284.4342 -149005.1310 299.8559 14.2086 43.7893 556845.7890 -14.8638 -14.8348 PRESSURE: 354600 387.971 87.2834 -38.4173 87.2847 165.911 -52.53 -38.4177 -52.5302 177.811 GPRESSURE: 354600 456.401 24.1893 -34.2328 181.704 215.099 -165.834 22.4274 12.6463 154.504 PRESSAVG: 354600 63.8334 -24.3838 23.4021 -24.3839 -53.9271 23.9875 23.4021 23.9878 24.9565 GPRESSAVG: 354600 64.9047 -24.0436 22.8933 -22.9546 -53.8245 24.3296 21.8894 22.4368 24.4872 TIMING: 354600 CPU: 1048.88, 0.0029547/step Wall: 1048.88, 0.0029547/step, 3.81271 hours remaining, 202.527344 MB of memory in use. ENERGY: 354600 732.4949 2119.2970 1961.2819 123.4591 -206176.6835 18080.6107 0.0000 0.0000 34197.7464 -148961.7934 298.6574 -183159.5398 -148869.2832 299.3744 243.8976 275.3348 557342.9974 11.6209 11.8558 PRESSURE: 354800 -168.148 -45.7787 -196.126 -45.7789 -232.512 225.788 -196.126 225.788 -143.776 GPRESSURE: 354800 -90.0648 -85.6217 -234.916 -25.1019 -211.514 221.14 -187.213 233.752 -136.155 PRESSAVG: 354800 37.8652 -0.984152 -53.1079 -0.984217 16.8003 -13.496 -53.1079 -13.4961 -34.5301 GPRESSAVG: 354800 37.9194 -2.82844 -54.3025 -0.961726 17.3639 -12.2082 -49.4271 -12.6462 -35.1227 TIMING: 354800 CPU: 1049.47, 0.00296043/step Wall: 1049.47, 0.00296043/step, 3.81995 hours remaining, 202.527344 MB of memory in use. ENERGY: 354800 744.6238 2109.6955 1939.7937 105.7163 -205748.8162 17619.6191 0.0000 0.0000 34220.0141 -149009.3538 298.8519 -183229.3679 -148906.8620 299.6122 -181.4788 -145.9111 558461.9471 6.7118 6.7202 PRESSURE: 355000 -246.161 -160.905 57.5238 -160.905 -119.38 -57.7997 57.5238 -57.8002 -448.21 GPRESSURE: 355000 -227.035 -174.923 28.1839 -154.165 -51.5508 -64.3149 44.7116 -107.936 -436.867 PRESSAVG: 355000 -5.97394 7.70491 -26.1349 7.7049 39.2472 -6.14356 -26.135 -6.14341 -6.65174 GPRESSAVG: 355000 -4.84736 8.42237 -24.3098 8.09652 38.7943 -9.48657 -30.4221 -5.60198 -7.3375 TIMING: 355000 CPU: 1050.06, 0.00296043/step Wall: 1050.06, 0.00296043/step, 3.81977 hours remaining, 202.527344 MB of memory in use. ENERGY: 355000 750.6966 2142.2581 1949.4542 117.9442 -205492.1613 17313.3510 0.0000 0.0000 34179.5733 -149038.8839 298.4987 -183218.4573 -148949.3929 299.8744 -271.2504 -238.4843 558583.3114 8.8738 8.8698 PRESSURE: 355200 -201.147 -48.9749 74.677 -48.9756 -7.41034 -92.6216 74.6781 -92.6201 -71.8135 GPRESSURE: 355200 -116.467 -173.855 34.1455 11.9225 32.4366 2.2132 89.5845 -117.061 -85.3217 PRESSAVG: 355200 40.9891 25.0385 -6.2119 25.0385 -20.6751 -32.2788 -6.21188 -32.2789 -16.1089 GPRESSAVG: 355200 39.7991 25.4193 -5.38148 25.0629 -20.316 -30.8886 -8.06246 -34.0318 -15.0893 TIMING: 355200 CPU: 1050.66, 0.00296877/step Wall: 1050.66, 0.00296877/step, 3.83037 hours remaining, 202.527344 MB of memory in use. ENERGY: 355200 741.1024 2080.7121 1972.5955 123.5933 -206197.5552 17819.6321 0.0000 0.0000 34190.1062 -149269.8137 298.5907 -183459.9199 -149176.0039 299.3421 -93.4569 -56.4507 558863.3951 1.4017 1.4646 PRESSURE: 355400 129.823 -64.8591 107.654 -64.8581 -108.425 83.6189 107.653 83.6192 -83.393 GPRESSURE: 355400 122.546 -139.666 140.089 -10.0728 -17.1102 170.493 112.156 24.7306 -71.134 PRESSAVG: 355400 -1.39272 9.51345 -33.6428 9.51336 -16.6083 -12.6619 -33.6427 -12.6619 -8.38034 GPRESSAVG: 355400 -1.62227 8.52317 -36.0435 8.51544 -16.963 -10.4588 -30.4254 -13.0237 -8.01194 TIMING: 355400 CPU: 1051.24, 0.00293696/step Wall: 1051.24, 0.00293696/step, 3.78917 hours remaining, 202.527344 MB of memory in use. ENERGY: 355400 765.1580 2119.5198 1930.9912 110.7599 -206112.5084 17777.4745 0.0000 0.0000 34249.4718 -149159.1332 299.1092 -183408.6050 -149065.8722 299.5111 -20.6649 11.4339 557110.7746 -8.7938 -8.8657 PRESSURE: 355600 -136.658 -1.89146 -31.3995 -1.89092 25.039 -28.9475 -31.3993 -28.9478 84.9414 GPRESSURE: 355600 -61.2412 79.0588 -20.376 -35.4995 30.9509 -61.1893 -3.35702 13.5267 91.2639 PRESSAVG: 355600 -88.7726 28.0866 -3.25628 28.0866 76.2554 -2.08321 -3.25636 -2.08328 30.4857 GPRESSAVG: 355600 -89.0227 31.5641 -3.60742 27.7002 77.1031 -4.1908 -2.21543 -0.913808 29.5224 TIMING: 355600 CPU: 1051.83, 0.00293509/step Wall: 1051.83, 0.00293509/step, 3.78659 hours remaining, 202.527344 MB of memory in use. ENERGY: 355600 703.5090 2057.2715 1955.4619 122.5089 -205651.8539 17680.0497 0.0000 0.0000 34190.7139 -148942.3390 298.5960 -183133.0529 -148853.3230 299.5336 -8.8926 20.3245 558105.0811 5.9895 5.8676 PRESSURE: 355800 128.167 91.0626 30.972 91.0625 -369.079 77.9601 30.9723 77.9607 -220.444 GPRESSURE: 355800 165.004 62.8141 96.8425 77.375 -364.986 75.5538 37.1465 148.74 -186.85 PRESSAVG: 355800 57.9366 46.1734 -3.1513 46.1734 -36.9364 48.4782 -3.15128 48.4782 -40.1754 GPRESSAVG: 355800 59.6633 42.6532 -1.48631 48.3191 -37.9002 47.8797 -5.28501 49.2928 -41.6001 TIMING: 355800 CPU: 1052.42, 0.00294932/step Wall: 1052.42, 0.00294932/step, 3.80479 hours remaining, 202.527344 MB of memory in use. ENERGY: 355800 750.0476 2057.1713 1936.2338 115.2251 -205816.7425 17544.5338 0.0000 0.0000 34300.5250 -149113.0058 299.5550 -183413.5308 -149005.6538 299.6353 -153.7856 -128.9441 558942.3848 -6.3917 -6.6124 PRESSURE: 356000 -211.092 45.766 -92.877 45.7662 -259.906 35.5084 -92.8775 35.5074 -183.527 GPRESSURE: 356000 -162.216 127.343 -110.954 59.0341 -284.789 26.1065 -62.5517 89.1323 -110.231 PRESSAVG: 356000 56.5191 37.5425 -10.8047 37.5425 -21.027 49.3758 -10.8046 49.3758 -30.661 GPRESSAVG: 356000 55.4913 39.2782 -11.5363 37.6789 -20.3325 48.8562 -10.5502 49.0373 -29.8144 TIMING: 356000 CPU: 1053.01, 0.00294118/step Wall: 1053.01, 0.00294118/step, 3.79412 hours remaining, 202.527344 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: 356000 752.4868 2088.6113 1951.9277 118.3397 -205675.1831 17535.2410 0.0000 0.0000 34298.0488 -148930.5278 299.5334 -183228.5766 -148829.1442 299.5427 -218.1751 -185.7452 560021.8438 1.6104 1.7815 PRESSURE: 356200 -60.1739 5.38505 -105.154 5.3858 -298.651 -70.1553 -105.154 -70.1557 -334.108 GPRESSURE: 356200 -57.6068 -10.2435 -138.667 54.4203 -284.737 -98.0273 -150.312 10.4591 -261.772 PRESSAVG: 356200 -34.0774 3.11624 -26.6868 3.11629 6.66845 15.6561 -26.6868 15.6562 8.38682 GPRESSAVG: 356200 -34.6345 4.04816 -26.8091 2.22446 7.35187 16.7663 -27.3748 15.8001 7.83474 TIMING: 356200 CPU: 1053.6, 0.00294768/step Wall: 1053.6, 0.00294768/step, 3.80235 hours remaining, 202.527344 MB of memory in use. ENERGY: 356200 757.4609 2092.8281 1954.1002 106.3306 -205554.6336 17426.1267 0.0000 0.0000 34317.8870 -148899.9000 299.7066 -183217.7870 -148807.6008 299.7819 -230.9774 -201.3721 559402.7672 -6.3407 -6.4826 LDB: ============= START OF LOAD BALANCING ============== 1057.02 LDB: ============== END OF LOAD BALANCING =============== 1057.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1057.02 LDB: ============= START OF LOAD BALANCING ============== 1057.32 LDB: Largest compute 4848 load 0.031370 is 26.6% of average load 0.117823 LDB: Average compute 0.001733 is 1.5% of average load 0.117823 LDB: TIME 1057.32 LOAD: AVG 0.117823 MAX 0.194525 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.09 MB LDB: TIME 1057.32 LOAD: AVG 0.117823 MAX 0.194525 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.219 MB LDB: TIME 1057.32 LOAD: AVG 0.117823 MAX 0.194525 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.219 MB LDB: ============== END OF LOAD BALANCING =============== 1057.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1057.33 PRESSURE: 356400 166.245 128.83 -140.588 128.831 231.093 3.27864 -140.589 3.27946 -81.731 GPRESSURE: 356400 147.453 164.564 -51.0021 30.6184 256.039 10.663 -108.161 -34.5549 5.18321 PRESSAVG: 356400 -39.7351 57.7999 18.4678 57.7999 -47.0072 26.9818 18.4677 26.9818 -8.03816 GPRESSAVG: 356400 -39.2165 57.6064 19.0153 57.1995 -47.8334 25.5648 19.4713 27.1749 -7.70138 TIMING: 356400 CPU: 1054.2, 0.00301249/step Wall: 1054.2, 0.00301249/step, 3.88578 hours remaining, 203.664062 MB of memory in use. ENERGY: 356400 738.8644 2075.3176 1941.3338 110.7498 -206024.7068 17911.4640 0.0000 0.0000 34194.8929 -149052.0844 298.6325 -183246.9772 -148945.2615 299.4045 105.2024 136.2251 558084.0275 -31.5935 -31.5837 PRESSURE: 356600 -431.567 36.0379 -23.2581 36.0381 -290.459 -127.353 -23.2575 -127.353 -97.0079 GPRESSURE: 356600 -382.269 -2.9958 77.2857 73.6375 -270.919 -120.342 -120.123 -128.855 -63.5451 PRESSAVG: 356600 27.06 -53.9801 22.5201 -53.9801 -11.5952 -2.83955 22.5201 -2.83957 6.23146 GPRESSAVG: 356600 27.0516 -54.6039 20.915 -51.9184 -11.0749 -0.96651 21.4845 -3.30899 5.38975 TIMING: 356600 CPU: 1054.79, 0.00295434/step Wall: 1054.79, 0.00295435/step, 3.81061 hours remaining, 203.906250 MB of memory in use. ENERGY: 356600 747.6767 2044.2519 1950.5119 95.7519 -205633.6627 17536.3233 0.0000 0.0000 34121.2147 -149137.9323 297.9891 -183259.1471 -149036.7200 299.4880 -273.0113 -238.9109 559560.3476 7.2321 7.1222 PRESSURE: 356800 -496.421 -25.2108 229.728 -25.2113 -41.0209 2.26617 229.727 2.26583 -179.548 GPRESSURE: 356800 -438.286 26.0861 257.969 -35.3095 -46.2629 -30.7965 188.016 82.6038 -131.903 PRESSAVG: 356800 -26.5002 -23.061 22.091 -23.061 18.3229 14.4373 22.091 14.4373 -31.9351 GPRESSAVG: 356800 -25.9254 -22.4575 22.5739 -24.7117 18.2394 13.5982 23.3435 14.6622 -31.858 TIMING: 356800 CPU: 1055.38, 0.00296274/step Wall: 1055.38, 0.00296274/step, 3.82128 hours remaining, 203.906250 MB of memory in use. ENERGY: 356800 726.9580 2157.2692 1938.2575 110.7289 -205929.5594 17488.7026 0.0000 0.0000 34513.0717 -148994.5715 301.4112 -183507.6432 -148902.9107 299.9670 -238.9967 -205.4837 558987.0417 -13.3708 -13.1813 PRESSURE: 357000 244.571 -94.5032 79.9158 -94.5037 222.218 56.44 79.9162 56.4412 273.145 GPRESSURE: 357000 263.332 -169.494 79.9597 -51.6184 293.475 152.687 107.518 -7.3494 273.884 PRESSAVG: 357000 0.495621 44.598 1.68846 44.5979 13.2081 -9.32507 1.68833 -9.32524 -15.2674 GPRESSAVG: 357000 0.196995 43.5949 3.63165 44.6694 13.373 -9.95161 1.43969 -10.5552 -14.9905 TIMING: 357000 CPU: 1055.97, 0.00293974/step Wall: 1055.97, 0.00293974/step, 3.79145 hours remaining, 203.906250 MB of memory in use. ENERGY: 357000 699.7560 2104.1620 1958.6688 104.0667 -206458.8469 18160.3389 0.0000 0.0000 34292.6574 -149139.1971 299.4863 -183431.8546 -149043.1699 300.1468 246.6446 276.8974 557716.5337 -0.5212 -0.4735 PRESSURE: 357200 -181.825 72.3798 -143.702 72.3793 -121.953 -17.2569 -143.703 -17.2577 228.717 GPRESSURE: 357200 -112.148 31.5356 -81.2833 36.6407 -75.7888 -12.1027 -209.02 -16.0977 200.229 PRESSAVG: 357200 -19.9332 29.9704 -15.5853 29.9703 -62.9635 10.7226 -15.5852 10.7227 59.7641 GPRESSAVG: 357200 -20.0991 30.9652 -16.4307 29.0785 -62.9692 11.2981 -16.7021 11.0574 59.8604 TIMING: 357200 CPU: 1056.56, 0.00296963/step Wall: 1056.56, 0.00296963/step, 3.82984 hours remaining, 203.906250 MB of memory in use. ENERGY: 357200 719.3801 2097.5346 1965.2691 109.9706 -205954.3437 17811.7137 0.0000 0.0000 34194.0627 -149056.4129 298.6253 -183250.4757 -148964.6792 298.7949 -25.0206 4.0972 558994.7851 -7.7109 -7.7360 PRESSURE: 357400 -160.588 14.7527 126.323 14.7533 -107.191 64.429 126.322 64.4291 -76.9373 GPRESSURE: 357400 -157.46 -16.9465 69.7522 55.4951 -66.9764 -11.5398 109.468 36.4707 -32.0696 PRESSAVG: 357400 -9.44766 -22.3084 -57.325 -22.3083 61.0439 23.9619 -57.3248 23.962 -57.5257 GPRESSAVG: 357400 -8.9823 -23.4394 -57.2759 -20.0794 59.8458 22.6992 -55.0183 23.3954 -56.4724 TIMING: 357400 CPU: 1057.16, 0.00296525/step Wall: 1057.16, 0.00296525/step, 3.82403 hours remaining, 203.906250 MB of memory in use. ENERGY: 357400 771.1578 2058.2184 1944.9279 108.8858 -206211.1946 17805.9444 0.0000 0.0000 34565.1591 -148956.9012 301.8661 -183522.0603 -148852.3845 299.6748 -114.9053 -85.5021 559260.1464 -1.9765 -1.8696 PRESSURE: 357600 -8.72794 -187.275 43.7061 -187.275 -221.503 127.041 43.7051 127.043 -7.15195 GPRESSURE: 357600 -27.3558 -119.13 21.2789 -192.589 -172.009 60.8656 71.2858 108.014 64.0057 PRESSAVG: 357600 43.5638 13.2257 -10.3226 13.2257 -23.2112 36.8746 -10.3227 36.8747 -52.0758 GPRESSAVG: 357600 43.192 14.7541 -11.0682 11.649 -21.8 36.0924 -11.2865 37.3256 -52.8453 TIMING: 357600 CPU: 1057.75, 0.0029642/step Wall: 1057.75, 0.0029642/step, 3.8225 hours remaining, 203.906250 MB of memory in use. ENERGY: 357600 761.0040 2170.3848 1962.6854 112.2012 -206058.7843 17593.6585 0.0000 0.0000 34342.2944 -149116.5560 299.9198 -183458.8504 -149023.7956 299.9799 -79.1277 -45.1197 557358.9997 -10.5744 -10.4844 PRESSURE: 357800 -58.5524 26.3513 158.238 26.3529 -15.4322 -31.4768 158.238 -31.4799 -137.399 GPRESSURE: 357800 -27.1388 20.293 93.9543 46.328 2.45446 8.04241 125.845 0.141006 -96.981 PRESSAVG: 357800 4.36938 23.6376 -25.6645 23.6376 13.3293 18.1527 -25.6644 18.1526 -10.8202 GPRESSAVG: 357800 4.28893 22.2954 -25.7959 26.313 13.7959 19.9862 -27.1554 16.6587 -11.0401 TIMING: 357800 CPU: 1058.34, 0.00296573/step Wall: 1058.34, 0.00296573/step, 3.82432 hours remaining, 203.906250 MB of memory in use. ENERGY: 357800 778.3714 2116.1252 1963.2541 106.1746 -206181.8170 17701.7306 0.0000 0.0000 34281.0732 -149235.0879 299.3851 -183516.1610 -149137.1446 299.5081 -70.4612 -40.5551 558466.9628 2.2928 2.3482 PRESSURE: 358000 235.361 121.51 -15.4212 121.51 50.415 -107.569 -15.4217 -107.571 151.308 GPRESSURE: 358000 335.764 105.886 8.37635 66.3625 72.0991 -77.7519 -42.8276 -129.7 134.157 PRESSAVG: 358000 47.076 27.3928 5.84921 27.3928 22.1627 -21.5163 5.84914 -21.5163 -40.825 GPRESSAVG: 358000 48.1915 27.9077 6.67722 24.4511 21.1061 -20.8235 5.50526 -20.1585 -41.1232 TIMING: 358000 CPU: 1058.94, 0.00295892/step Wall: 1058.94, 0.00295892/step, 3.81536 hours remaining, 203.906250 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: 358000 767.5373 2087.0612 1933.6552 110.0462 -206602.7541 18228.2140 0.0000 0.0000 34444.1936 -149032.0466 300.8097 -183476.2403 -148942.8784 299.7925 145.6946 180.6734 557709.2741 9.4712 9.3915 PRESSURE: 358200 239.92 134.832 5.93738 134.833 -2.87678 30.1824 5.93852 30.1834 109.163 GPRESSURE: 358200 217.723 103.76 17.1045 181.074 74.8618 37.3975 -82.7052 98.0286 147.173 PRESSAVG: 358200 118.872 14.1256 2.21513 14.1256 4.65107 55.1114 2.21512 55.1113 -95.0002 GPRESSAVG: 358200 118.088 12.7401 1.88565 15.0163 4.32049 53.7693 4.1611 55.3041 -94.188 TIMING: 358200 CPU: 1059.53, 0.00296517/step Wall: 1059.53, 0.00296517/step, 3.82326 hours remaining, 203.906250 MB of memory in use. ENERGY: 358200 708.0636 2084.2563 1954.8306 98.4829 -206240.4217 17917.0152 0.0000 0.0000 34432.6781 -149045.0949 300.7091 -183477.7730 -148945.9413 300.3541 115.4024 146.5859 557775.0232 9.5076 9.4069 PRESSURE: 358400 -137.658 -47.2643 122.463 -47.2648 -130.457 -94.0413 122.462 -94.0429 -342.988 GPRESSURE: 358400 -48.1235 44.2514 75.4642 -146.168 -143.178 -36.5077 72.4309 -92.1444 -333.216 PRESSAVG: 358400 8.74301 35.714 14.5531 35.7139 -20.1288 71.7399 14.5532 71.7398 -32.223 GPRESSAVG: 358400 8.65835 35.567 14.5583 33.736 -19.2386 72.0472 14.5008 74.0358 -32.6793 TIMING: 358400 CPU: 1060.12, 0.00297379/step Wall: 1060.12, 0.00297379/step, 3.83421 hours remaining, 203.906250 MB of memory in use. ENERGY: 358400 740.7304 2095.0098 1975.3506 116.9566 -205699.6471 17435.9586 0.0000 0.0000 34324.0634 -149011.5777 299.7606 -183335.6411 -148915.6564 300.7593 -203.7010 -174.8391 558932.3803 -14.5363 -14.4198 PRESSURE: 358600 -257.916 43.5562 17.9674 43.5575 -81.2414 20.6442 17.9672 20.6438 -112.532 GPRESSURE: 358600 -231.849 -32.558 58.5766 91.5667 -54.7431 -60.0686 -51.8673 24.8845 -74.761 PRESSAVG: 358600 47.5295 34.9618 42.2668 34.9619 0.994729 35.4278 42.2667 35.4278 34.8744 GPRESSAVG: 358600 46.8471 35.1504 42.0558 37.9676 1.12943 34.6019 42.5401 33.6546 35.8831 TIMING: 358600 CPU: 1060.72, 0.00298269/step Wall: 1060.72, 0.00298269/step, 3.84551 hours remaining, 203.906250 MB of memory in use. ENERGY: 358600 726.4146 2052.2728 1963.2602 124.8895 -205610.6883 17467.4084 0.0000 0.0000 34299.8169 -148976.6257 299.5488 -183276.4427 -148872.0842 300.2936 -150.5633 -120.4510 559342.4421 27.7995 27.9532 PRESSURE: 358800 -73.7467 -166.066 19.3012 -166.065 178.566 89.1585 19.3008 89.1574 256.573 GPRESSURE: 358800 2.2385 -129.061 50.212 -121.061 137.504 135.328 -8.78598 52.3 303.493 PRESSAVG: 358800 44.1696 -2.00626 -15.9133 -2.00625 34.1604 -39.1573 -15.9134 -39.1573 -57.1166 GPRESSAVG: 358800 45.6817 -0.13517 -17.8634 -4.1628 32.9307 -38.6522 -15.0624 -37.1636 -58.1286 TIMING: 358800 CPU: 1061.32, 0.00298236/step Wall: 1061.32, 0.00298236/step, 3.84492 hours remaining, 203.960938 MB of memory in use. ENERGY: 358800 711.1940 2104.9096 1966.0746 128.7756 -205852.6239 17709.8539 0.0000 0.0000 34386.3777 -148845.4384 300.3048 -183231.8161 -148741.8464 300.2195 120.4640 147.7453 556476.5908 7.0711 6.8279 PRESSURE: 359000 -214.077 119.544 -5.08008 119.543 -20.2971 128.794 -5.08099 128.794 153.888 GPRESSURE: 359000 -150.603 102.761 -4.35766 100.688 -10.8846 106.683 -57.753 39.497 172.869 PRESSAVG: 359000 -31.9952 5.05637 35.4801 5.05641 8.54914 -12.9696 35.4801 -12.9696 22.1221 GPRESSAVG: 359000 -32.014 4.18682 36.8906 6.45463 8.59246 -12.1422 35.6031 -15.5338 22.0459 TIMING: 359000 CPU: 1061.91, 0.00296747/step Wall: 1061.91, 0.00296747/step, 3.82557 hours remaining, 203.960938 MB of memory in use. ENERGY: 359000 777.3552 2100.5393 1969.0853 106.8499 -206274.1359 18008.7761 0.0000 0.0000 34302.4824 -149009.0478 299.5721 -183311.5302 -148909.2032 300.0558 -26.8287 3.7938 557803.9723 -0.4413 -0.4585 PRESSURE: 359200 51.4864 -1.26167 -133.647 -1.26098 116.531 6.79152 -133.646 6.79269 60.3707 GPRESSURE: 359200 52.7362 -2.12884 -2.19167 7.48621 129.25 -22.4935 -184.997 -46.5597 141.152 PRESSAVG: 359200 -12.515 41.1372 21.1638 41.1371 -22.8822 13.329 21.1638 13.3291 6.85543 GPRESSAVG: 359200 -13.245 39.841 22.9351 41.6533 -22.6748 13.4312 17.8222 12.5932 7.37558 TIMING: 359200 CPU: 1062.5, 0.00295362/step Wall: 1062.5, 0.00295362/step, 3.80755 hours remaining, 203.960938 MB of memory in use. ENERGY: 359200 750.8957 2108.7494 1979.8564 114.6030 -206148.5083 17814.3078 0.0000 0.0000 34314.1571 -149065.9390 299.6741 -183380.0961 -148971.8162 299.1018 76.1295 107.7127 556902.3796 -9.5139 -9.5147 PRESSURE: 359400 -147.095 68.3177 80.8458 68.3192 144.032 318.964 80.8453 318.964 -74.8109 GPRESSURE: 359400 -55.1603 28.9462 78.4137 165.366 113.144 273.263 74.2188 367.361 -32.681 PRESSAVG: 359400 -25.7658 1.39802 7.49651 1.39805 46.7509 47.4188 7.49659 47.4188 -40.6024 GPRESSAVG: 359400 -25.8605 3.22745 8.45505 -1.02048 47.4992 46.5506 6.71843 48.5781 -41.3681 TIMING: 359400 CPU: 1063.1, 0.00297144/step Wall: 1063.1, 0.00297144/step, 3.83035 hours remaining, 203.960938 MB of memory in use. ENERGY: 359400 702.1562 2126.7840 1940.3387 108.6058 -206119.9258 17691.7268 0.0000 0.0000 34325.8809 -149224.4335 299.7765 -183550.3143 -149126.1718 299.9128 -25.9578 8.4341 558367.8324 -6.5391 -6.5764 PRESSURE: 359600 363.913 -53.9709 -68.9717 -53.9718 -56.9196 21.0796 -68.9716 21.081 -24.1566 GPRESSURE: 359600 380.143 -56.5375 7.83981 -160.655 -44.4307 -55.4471 -81.1457 91.7426 46.2166 PRESSAVG: 359600 -26.5665 -19.9164 -23.8408 -19.9164 34.0682 34.6747 -23.8408 34.6746 -22.0992 GPRESSAVG: 359600 -26.0377 -19.7623 -24.9171 -18.8322 33.392 35.5725 -21.4721 34.9132 -21.1562 TIMING: 359600 CPU: 1063.68, 0.00294595/step Wall: 1063.68, 0.00294595/step, 3.79733 hours remaining, 203.960938 MB of memory in use. ENERGY: 359600 763.4526 2067.3508 1986.3038 114.3281 -206467.3213 18008.1538 0.0000 0.0000 34215.8998 -149311.8324 298.8160 -183527.7322 -149215.2967 298.9575 94.2789 127.3096 557242.5264 -4.8659 -4.6006 PRESSURE: 359800 62.0593 -74.702 40.831 -74.7027 99.2968 185.321 40.8305 185.32 306.395 GPRESSURE: 359800 132.721 -54.7439 48.1251 -121.791 110.441 156.734 -1.3859 53.812 327.554 PRESSAVG: 359800 54.8645 15.2276 31.6548 15.2277 -77.4111 7.93287 31.6548 7.93286 13.8636 GPRESSAVG: 359800 53.0289 15.8736 28.9679 15.4681 -75.4113 6.47912 33.2537 8.24807 13.7359 TIMING: 359800 CPU: 1064.27, 0.00291485/step Wall: 1064.27, 0.00291485/step, 3.75708 hours remaining, 203.960938 MB of memory in use. ENERGY: 359800 753.8309 2096.1405 1975.6258 114.7623 -206633.4356 18173.2308 0.0000 0.0000 34229.6963 -149290.1489 298.9365 -183519.8452 -149191.4115 299.3382 155.9172 190.2384 558085.2125 -2.8943 -2.8822 PRESSURE: 360000 -56.2872 -92.6353 -119.849 -92.6348 166.867 108.324 -119.849 108.324 -69.5611 GPRESSURE: 360000 -21.6856 -123.439 -119.206 -33.2702 199.171 47.3211 -133.459 116.439 -48.0194 PRESSAVG: 360000 8.85848 -34.8907 -48.1556 -34.8907 8.62644 -59.9885 -48.1555 -59.9885 -0.357763 GPRESSAVG: 360000 11.0295 -36.627 -45.8036 -35.1347 8.15297 -57.1125 -50.9946 -61.7485 -1.62026 TIMING: 360000 CPU: 1064.86, 0.00294259/step Wall: 1064.86, 0.00294259/step, 3.79267 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: 360000 731.4020 2115.9117 1956.9128 116.7090 -206175.9977 17773.8598 0.0000 0.0000 34298.1014 -149183.1011 299.5338 -183481.2024 -149085.1279 299.4873 13.6729 43.1552 557218.4289 5.7091 5.8541 PRESSURE: 360200 -173.895 72.8624 -105.24 72.8625 225.87 -32.9517 -105.239 -32.951 -262.326 GPRESSURE: 360200 -113.778 61.9122 -69.7697 145.264 219.992 18.5651 -119.388 -45.5815 -223.505 PRESSAVG: 360200 -48.8512 28.9003 -1.32394 28.9002 57.5182 -20.1605 -1.32394 -20.1605 -9.69488 GPRESSAVG: 360200 -49.7306 28.0712 -0.423432 27.6117 57.5504 -22.4388 0.383248 -17.1457 -8.33416 TIMING: 360200 CPU: 1065.44, 0.0029409/step Wall: 1065.44, 0.0029409/step, 3.79033 hours remaining, 203.960938 MB of memory in use. ENERGY: 360200 767.7640 2138.6187 1953.6597 110.8650 -206233.9896 17863.7174 0.0000 0.0000 34106.5321 -149292.8326 297.8608 -183399.3647 -149197.4140 299.0799 -70.1171 -39.0974 558263.7561 -0.3427 -0.1714 LDB: ============= START OF LOAD BALANCING ============== 1068.87 LDB: ============== END OF LOAD BALANCING =============== 1068.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1068.87 LDB: ============= START OF LOAD BALANCING ============== 1069.17 LDB: Largest compute 4848 load 0.028820 is 24.5% of average load 0.117673 LDB: Average compute 0.001729 is 1.5% of average load 0.117673 LDB: TIME 1069.17 LOAD: AVG 0.117673 MAX 0.1969 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.906 MB LDB: TIME 1069.17 LOAD: AVG 0.117673 MAX 0.1969 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.906 MB LDB: TIME 1069.17 LOAD: AVG 0.117673 MAX 0.1969 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.906 MB LDB: ============== END OF LOAD BALANCING =============== 1069.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1069.18 PRESSURE: 360400 -124.692 -83.9579 130.18 -83.9568 30.899 -66.278 130.18 -66.2784 132.513 GPRESSURE: 360400 -76.4606 -85.7895 135.147 -41.6024 61.1511 -113.387 38.2628 -10.7872 151.064 PRESSAVG: 360400 -57.1386 -3.14523 -17.3774 -3.14515 76.455 23.3156 -17.3774 23.3156 -29.7273 GPRESSAVG: 360400 -57.5838 -1.6387 -17.7585 -1.2685 77.6565 23.8724 -18.3313 21.3241 -30.6882 TIMING: 360400 CPU: 1066.05, 0.00300733/step Wall: 1066.05, 0.00300733/step, 3.87577 hours remaining, 202.652344 MB of memory in use. ENERGY: 360400 737.9933 2119.4495 1958.0489 112.1858 -206543.1512 17931.1733 0.0000 0.0000 34433.5056 -149250.7949 300.7164 -183684.3005 -149151.6219 299.4369 12.9064 45.2516 556212.5199 -3.4703 -3.5385 PRESSURE: 360600 -54.5147 45.9148 -24.5578 45.9156 -22.7945 64.2266 -24.5565 64.2282 -79.5852 GPRESSURE: 360600 -22.2532 14.2623 -5.47173 144.645 -21.7622 85.6723 38.8625 59.6795 -32.4986 PRESSAVG: 360600 -49.7546 -38.3334 -3.80754 -38.3334 99.6076 53.8765 -3.80757 53.8764 -4.35875 GPRESSAVG: 360600 -50.1684 -39.0915 -2.72965 -39.248 98.5661 53.9786 -4.08415 55.0444 -3.70718 TIMING: 360600 CPU: 1066.63, 0.00294235/step Wall: 1066.63, 0.00294235/step, 3.79187 hours remaining, 202.851562 MB of memory in use. ENERGY: 360600 774.9466 2092.1083 1955.6822 107.8291 -206302.0809 17798.4356 0.0000 0.0000 34191.0549 -149382.0241 298.5990 -183573.0790 -149285.2149 299.2129 -52.2981 -25.5047 558389.6045 15.1648 14.8969 PRESSURE: 360800 153.557 45.6498 -63.2405 45.6498 226.83 6.3983 -63.2415 6.39833 262.334 GPRESSURE: 360800 174.899 -7.60572 -35.7321 -21.7957 267.367 -69.0175 44.4701 39.4426 289.703 PRESSAVG: 360800 -24.5292 -22.6259 -24.5022 -22.6259 36.5777 52.0809 -24.5022 52.0809 14.3252 GPRESSAVG: 360800 -24.0518 -22.534 -24.8612 -22.9295 35.8703 52.9374 -25.2223 49.8196 14.969 TIMING: 360800 CPU: 1067.22, 0.00293617/step Wall: 1067.22, 0.00293617/step, 3.78375 hours remaining, 202.851562 MB of memory in use. ENERGY: 360800 734.9093 2109.0411 1942.9628 123.7419 -206859.6920 18156.9859 0.0000 0.0000 34328.3116 -149463.7394 299.7977 -183792.0510 -149361.4991 299.0982 214.2404 243.9893 555695.3683 8.7912 8.9291 PRESSURE: 361000 111.579 -7.83336 146.603 -7.83299 182.583 -33.951 146.602 -33.9503 1.61205 GPRESSURE: 361000 151.422 -18.4573 109.032 -17.3225 201.164 -11.9659 106.406 25.8811 37.3152 PRESSAVG: 361000 -24.8055 -35.3436 -41.2592 -35.3437 -14.2213 -18.5873 -41.2592 -18.5874 27.0135 GPRESSAVG: 361000 -25.6879 -35.9904 -41.1183 -35.4987 -14.0248 -18.8772 -40.9012 -18.5076 28.0865 TIMING: 361000 CPU: 1067.81, 0.00292967/step Wall: 1067.81, 0.00292967/step, 3.77521 hours remaining, 202.851562 MB of memory in use. ENERGY: 361000 757.9466 2111.5738 1945.3299 104.3229 -206593.6809 17924.6511 0.0000 0.0000 34371.3420 -149378.5146 300.1735 -183749.8566 -149286.8043 298.6184 98.5913 129.9670 555197.5316 -4.0045 -3.8754 PRESSURE: 361200 -40.8609 -122.876 8.67443 -122.875 -37.7801 42.7848 8.67358 42.7855 -18.8457 GPRESSURE: 361200 -17.875 -109.708 105.592 -55.3688 11.4799 120.395 27.6126 38.5976 3.41842 PRESSAVG: 361200 18.9167 -4.39543 -40.3975 -4.39535 9.36335 -70.7049 -40.3975 -70.705 -2.11989 GPRESSAVG: 361200 19.7934 -3.14763 -41.9555 -3.19307 10.0834 -69.6557 -38.8121 -68.1673 -3.73558 TIMING: 361200 CPU: 1068.39, 0.00292769/step Wall: 1068.39, 0.00292769/step, 3.7725 hours remaining, 202.851562 MB of memory in use. ENERGY: 361200 733.7177 2072.9521 1925.7461 114.3922 -206407.8344 17893.5530 0.0000 0.0000 34152.1137 -149515.3596 298.2589 -183667.4733 -149414.8534 298.2090 -32.4956 -0.9922 556593.6186 8.7200 8.7138 PRESSURE: 361400 274.619 179.967 -28.9193 179.965 -131.107 37.1546 -28.9192 37.1543 -2.08599 GPRESSURE: 361400 289.797 174.546 76.1639 248.611 -97.2639 51.3815 -57.2061 46.8575 43.4881 PRESSAVG: 361400 -56.1758 -14.9774 32.1995 -14.9774 10.3841 -13.4918 32.1996 -13.4918 -0.547358 GPRESSAVG: 361400 -56.9323 -15.1959 32.9358 -17.1237 10.5062 -16.4186 30.176 -12.636 -0.209694 TIMING: 361400 CPU: 1068.98, 0.00292376/step Wall: 1068.98, 0.00292376/step, 3.76726 hours remaining, 202.851562 MB of memory in use. ENERGY: 361400 745.1909 2072.3757 1931.6726 95.6371 -206404.1803 17975.5486 0.0000 0.0000 34244.5480 -149339.2073 299.0662 -183583.7554 -149246.9044 298.5737 47.1420 78.6739 556507.3954 -15.4464 -15.5453 PRESSURE: 361600 -6.28794 -25.6316 -3.53931 -25.6306 -32.3525 40.2008 -3.53914 40.2009 -356.662 GPRESSURE: 361600 -24.8931 -55.9847 -50.7091 -129.008 22.137 -61.9543 42.6498 -15.8611 -296.079 PRESSAVG: 361600 23.4361 16.5566 10.3419 16.5567 -20.6141 6.84198 10.3419 6.84206 -18.4057 GPRESSAVG: 361600 22.4833 18.1237 7.42408 15.7329 -20.0568 7.86829 12.5363 6.13009 -18.3334 TIMING: 361600 CPU: 1069.56, 0.00293196/step Wall: 1069.56, 0.00293196/step, 3.77767 hours remaining, 202.851562 MB of memory in use. ENERGY: 361600 758.0335 2027.2355 1952.6956 118.9712 -206162.1341 17598.5870 0.0000 0.0000 34312.9570 -149393.6543 299.6636 -183706.6113 -149292.6040 299.1563 -131.7675 -99.6116 557522.7799 -5.1946 -5.3023 PRESSURE: 361800 -22.5462 -211.087 -36.5104 -211.087 -47.9676 -61.5935 -36.5083 -61.5944 61.3559 GPRESSURE: 361800 -8.93469 -112.228 -130.521 -197.686 -5.73159 -57.5494 29.5735 -102.121 91.4082 PRESSAVG: 361800 -48.4655 -5.16949 50.9183 -5.16948 9.78052 2.84171 50.9184 2.84178 57.982 GPRESSAVG: 361800 -47.0158 -5.0529 54.3711 -2.49855 8.69027 1.70226 50.4216 1.67559 57.8355 TIMING: 361800 CPU: 1070.15, 0.00292401/step Wall: 1070.15, 0.00292401/step, 3.76726 hours remaining, 202.851562 MB of memory in use. ENERGY: 361800 754.1829 2114.4260 1961.9824 109.3585 -206331.8349 17809.3578 0.0000 0.0000 34233.5206 -149349.0068 298.9698 -183582.5273 -149252.6419 297.9375 -3.0526 25.5806 558316.9346 6.4323 6.5033 PRESSURE: 362000 -59.2142 -86.632 45.043 -86.6313 101.633 -129.408 45.0431 -129.406 -291.317 GPRESSURE: 362000 -21.5607 -140.622 76.4645 -123.348 87.5393 -130.369 7.69736 -83.5165 -225.318 PRESSAVG: 362000 41.1217 -22.4587 -14.4652 -22.4586 -58.362 -47.7272 -14.4651 -47.7271 1.38732 GPRESSAVG: 362000 40.9822 -24.2211 -16.2009 -23.2406 -57.7358 -45.7006 -15.3807 -48.7063 1.07571 TIMING: 362000 CPU: 1070.73, 0.00290753/step Wall: 1070.73, 0.00290753/step, 3.74587 hours remaining, 202.851562 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: 362000 727.6160 2110.3412 1951.8152 102.3537 -206037.9893 17690.4698 0.0000 0.0000 34230.6757 -149224.7178 298.9450 -183455.3934 -149128.0881 298.3630 -82.9658 -53.1132 557883.5109 -5.2843 -5.2260 PRESSURE: 362200 85.2999 -29.7894 -118.12 -29.7895 113.722 -25.6646 -118.119 -25.6658 -51.5648 GPRESSURE: 362200 116.991 19.9949 -86.2505 8.24518 103.006 -93.3904 -114.854 -25.6738 14.4267 PRESSAVG: 362200 -7.52974 -28.5498 31.72 -28.5499 29.7478 -56.3283 31.7201 -56.3284 -12.4952 GPRESSAVG: 362200 -8.1023 -29.6314 32.8367 -28.0357 29.6519 -57.33 32.9806 -56.5778 -11.7234 TIMING: 362200 CPU: 1071.32, 0.00293153/step Wall: 1071.32, 0.00293153/step, 3.77663 hours remaining, 202.851562 MB of memory in use. ENERGY: 362200 785.6654 2080.0318 1939.4510 123.1141 -206047.7105 17953.3849 0.0000 0.0000 34097.6189 -149068.4444 297.7830 -183166.0633 -148980.5000 298.9362 49.1524 78.1410 558567.0959 3.2409 3.2754 PRESSURE: 362400 -96.8004 -115.344 16.6689 -115.345 104.523 -141.337 16.671 -141.335 -60.7875 GPRESSURE: 362400 -50.3534 -146.868 -24.7181 -51.9508 67.8429 -148.547 9.40347 -104.484 13.3117 PRESSAVG: 362400 51.2545 -22.8344 35.8092 -22.8344 -41.6366 -38.9518 35.8092 -38.9518 -18.7812 GPRESSAVG: 362400 50.9934 -20.171 35.8011 -24.0635 -41.0751 -39.3081 33.4643 -36.2958 -19.4283 TIMING: 362400 CPU: 1071.9, 0.00294061/step Wall: 1071.9, 0.00294061/step, 3.78816 hours remaining, 202.851562 MB of memory in use. ENERGY: 362400 766.2103 2063.8014 1956.9951 129.7877 -206178.9694 17791.7690 0.0000 0.0000 34499.5294 -148970.8764 301.2930 -183470.4058 -148876.2669 299.4894 -17.6881 10.2671 557705.1576 -3.0544 -3.1700 PRESSURE: 362600 -84.9154 16.1299 -51.9477 16.1302 -66.6758 5.31937 -51.9479 5.31931 -382.601 GPRESSURE: 362600 -61.7532 -21.4157 -107.92 5.54515 -35.8343 -75.0516 -2.27444 28.0838 -344.845 PRESSAVG: 362600 9.89374 -19.7364 -27.1772 -19.7364 15.7551 -37.0106 -27.1772 -37.0105 -36.5247 GPRESSAVG: 362600 9.83655 -20.0499 -28.6729 -19.5069 14.638 -36.9556 -24.7557 -36.6325 -35.0226 TIMING: 362600 CPU: 1072.49, 0.00295037/step Wall: 1072.49, 0.00295037/step, 3.80057 hours remaining, 202.851562 MB of memory in use. ENERGY: 362600 769.7955 2030.3627 1958.1428 104.7817 -205584.5197 17524.1453 0.0000 0.0000 34299.8588 -148897.4328 299.5492 -183197.2917 -148801.5549 299.9535 -178.0641 -147.4773 557013.0649 -3.6253 -3.5160 PRESSURE: 362800 68.8494 13.9568 -91.3869 13.956 298.519 31.8885 -91.3879 31.8879 -101.014 GPRESSURE: 362800 50.0005 17.7126 -32.1205 71.2134 350.102 110.752 -74.7856 -61.1137 -45.2367 PRESSAVG: 362800 -34.9496 56.4155 24.5756 56.4155 111.201 25.3259 24.5755 25.3259 -57.833 GPRESSAVG: 362800 -34.4945 58.2808 24.2351 56.4702 110.61 24.4578 24.9434 24.5351 -57.5347 TIMING: 362800 CPU: 1073.08, 0.00293406/step Wall: 1073.08, 0.00293406/step, 3.77939 hours remaining, 202.851562 MB of memory in use. ENERGY: 362800 721.0942 2074.0280 1964.1781 119.3150 -205863.2472 17843.7801 0.0000 0.0000 34440.8385 -148700.0133 300.7804 -183140.8518 -148607.9542 300.0775 88.7849 118.2887 557839.1145 6.1395 6.1936 PRESSURE: 363000 10.1185 -120.172 -35.2939 -120.171 58.472 62.0961 -35.2939 62.0959 35.697 GPRESSURE: 363000 19.0296 -219.381 22.741 -76.4786 128.487 76.1864 -38.9037 13.9777 54.342 PRESSAVG: 363000 -23.0264 25.7525 27.2745 25.7523 112.341 8.44393 27.2745 8.44395 -47.8318 GPRESSAVG: 363000 -20.9707 22.0868 29.2883 26.5699 112.169 8.59339 24.8772 6.36504 -49.3556 TIMING: 363000 CPU: 1073.67, 0.00294107/step Wall: 1073.67, 0.00294107/step, 3.78826 hours remaining, 202.851562 MB of memory in use. ENERGY: 363000 712.4134 2062.3068 1952.8039 114.6975 -205773.6708 17837.9314 0.0000 0.0000 34360.6146 -148732.9031 300.0798 -183093.5177 -148645.5544 300.8389 34.7625 67.2862 558755.6312 13.8275 13.9477 PRESSURE: 363200 -57.9539 90.5504 127.463 90.5508 139.254 39.2288 127.462 39.2296 -362.486 GPRESSURE: 363200 4.42459 63.5294 194.989 144.525 127.326 -28.5938 128.066 28.9988 -312.218 PRESSAVG: 363200 -88.4257 -14.1404 21.825 -14.1404 75.2616 -6.11546 21.825 -6.11527 10.2307 GPRESSAVG: 363200 -89.8059 -15.9735 23.1205 -11.5453 76.1565 -7.41686 23.0561 -4.99472 11.0048 TIMING: 363200 CPU: 1074.25, 0.00291124/step Wall: 1074.25, 0.00291124/step, 3.74968 hours remaining, 202.851562 MB of memory in use. ENERGY: 363200 731.0005 2134.2821 1953.0453 105.9542 -205884.0210 17860.7330 0.0000 0.0000 34418.1379 -148680.8679 300.5822 -183099.0058 -148591.9773 300.6188 -93.7287 -60.1558 560250.3229 -0.9778 -0.8816 PRESSURE: 363400 79.2395 -60.1611 -144.578 -60.1605 10.3718 0.786513 -144.578 0.787241 163.278 GPRESSURE: 363400 124.92 -30.4984 -176.563 -98.4319 57.431 -46.1901 -148.944 -3.99738 170.409 PRESSAVG: 363400 -12.1984 -23.5227 42.6975 -23.5227 -10.3551 9.28368 42.6975 9.28374 -9.73231 GPRESSAVG: 363400 -13.0997 -21.3786 41.4845 -26.8026 -10.2091 11.5677 43.0541 10.2842 -9.17124 TIMING: 363400 CPU: 1074.84, 0.00295438/step Wall: 1074.84, 0.00295438/step, 3.80507 hours remaining, 202.851562 MB of memory in use. ENERGY: 363400 728.4097 2028.2895 1962.5320 118.0807 -206195.0834 18059.6760 0.0000 0.0000 34479.7602 -148818.3355 301.1203 -183298.0956 -148725.1666 299.9908 84.2964 117.5867 559529.6740 -10.7619 -10.8266 PRESSURE: 363600 -99.2844 -71.792 -80.055 -71.7917 5.55902 -23.9059 -80.0544 -23.9065 -282.391 GPRESSURE: 363600 -100.703 -40.3724 35.7347 -92.3605 38.9179 -64.8632 -134.462 30.3813 -229.283 PRESSAVG: 363600 27.2686 -9.83243 10.4088 -9.83253 -3.69175 2.7807 10.4087 2.78078 -10.3544 GPRESSAVG: 363600 26.6145 -9.52889 11.5103 -8.86647 -3.06831 1.48818 9.41909 2.25184 -10.418 TIMING: 363600 CPU: 1075.43, 0.0029442/step Wall: 1075.43, 0.0029442/step, 3.7918 hours remaining, 202.851562 MB of memory in use. ENERGY: 363600 748.9546 2087.3653 1980.5779 118.5015 -205941.6725 17632.2881 0.0000 0.0000 34386.3490 -148987.6361 300.3045 -183373.9851 -148896.0501 300.4102 -125.3722 -97.0226 557777.4164 4.4075 4.3761 PRESSURE: 363800 -15.3997 -28.413 41.1458 -28.4133 25.4342 121.523 41.1462 121.524 38.0359 GPRESSURE: 363800 -23.0373 -37.0033 80.0404 -12.3082 59.6075 97.785 14.0372 113.543 100.632 PRESSAVG: 363800 -80.0217 -63.3752 -18.6083 -63.3752 44.1984 -37.2753 -18.6083 -37.2751 28.726 GPRESSAVG: 363800 -77.9591 -63.5686 -20.08 -62.7106 43.3706 -35.8391 -17.1523 -37.4882 27.8668 TIMING: 363800 CPU: 1076.02, 0.00295687/step Wall: 1076.02, 0.00295687/step, 3.80796 hours remaining, 202.851562 MB of memory in use. ENERGY: 363800 761.5436 2060.8153 1985.8137 123.8186 -206028.1618 17952.5852 0.0000 0.0000 34449.1353 -148694.4501 300.8529 -183143.5853 -148601.0752 300.3304 16.0235 45.7340 559654.0126 -2.3658 -2.2406 PRESSURE: 364000 117.286 -161.407 -39.6513 -161.406 -25.324 -106.512 -39.6513 -106.512 -56.8477 GPRESSURE: 364000 166.327 -192.277 -144.787 -173.932 -67.4511 -91.7951 34.0228 -98.3663 26.9912 PRESSAVG: 364000 -15.7361 15.8566 12.1655 15.8565 23.1104 -8.91894 12.1656 -8.91896 -4.44172 GPRESSAVG: 364000 -17.2176 15.0659 12.9006 14.5227 24.4741 -8.56413 13.442 -9.67927 -3.85326 TIMING: 364000 CPU: 1076.61, 0.0029554/step Wall: 1076.61, 0.0029554/step, 3.8059 hours remaining, 202.851562 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: 364000 729.6103 2069.8571 1900.9244 108.5472 -205676.9672 17685.0720 0.0000 0.0000 34326.5775 -148856.3787 299.7825 -183182.9562 -148749.2747 300.2399 11.7049 41.9557 559339.9875 0.9775 1.1344 PRESSURE: 364200 38.5013 -74.257 -166.914 -74.2578 -1.00073 122.158 -166.913 122.159 179.718 GPRESSURE: 364200 17.4069 -29.8002 -113.141 -68.8947 -7.31485 139.48 -203.225 148.592 307.878 PRESSAVG: 364200 34.1769 -30.9246 -35.9074 -30.9246 -88.4023 38.4713 -35.9074 38.4713 46.0089 GPRESSAVG: 364200 34.9826 -29.6726 -36.7539 -30.1553 -89.9914 39.933 -37.7493 38.2176 46.5357 TIMING: 364200 CPU: 1077.21, 0.00296029/step Wall: 1077.21, 0.00296029/step, 3.81203 hours remaining, 202.851562 MB of memory in use. ENERGY: 364200 754.5627 2053.8464 1916.1043 115.1236 -205987.6955 17802.7291 0.0000 0.0000 34472.3326 -148872.9968 301.0555 -183345.3294 -148766.6236 300.1429 72.4061 105.9900 557689.3301 -2.7389 -2.8244 LDB: ============= START OF LOAD BALANCING ============== 1080.63 LDB: ============== END OF LOAD BALANCING =============== 1080.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1080.63 LDB: ============= START OF LOAD BALANCING ============== 1080.93 LDB: Largest compute 4848 load 0.029600 is 25.1% of average load 0.117724 LDB: Average compute 0.001730 is 1.5% of average load 0.117724 LDB: TIME 1080.93 LOAD: AVG 0.117724 MAX 0.194728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.941 MB LDB: TIME 1080.93 LOAD: AVG 0.117724 MAX 0.194728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.039 MB LDB: TIME 1080.93 LOAD: AVG 0.117724 MAX 0.194728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.039 MB LDB: ============== END OF LOAD BALANCING =============== 1080.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1080.94 PRESSURE: 364400 -76.3374 134.619 4.30037 134.619 -13.1133 100.589 4.30101 100.589 -392.926 GPRESSURE: 364400 -7.79628 59.2904 10.785 191.49 34.7131 155.02 -81.6361 50.4781 -431.735 PRESSAVG: 364400 -26.3585 -10.994 5.52713 -10.994 14.5405 38.5191 5.5272 38.519 -16.2922 GPRESSAVG: 364400 -26.9098 -10.5905 3.80478 -10.5026 14.9926 35.5931 6.69726 39.3636 -16.0756 TIMING: 364400 CPU: 1077.81, 0.00301276/step Wall: 1077.81, 0.00301276/step, 3.87943 hours remaining, 202.769531 MB of memory in use. ENERGY: 364400 740.0728 2061.6958 1952.2473 111.0063 -205637.3858 17483.4159 0.0000 0.0000 34425.9081 -148863.0398 300.6500 -183288.9478 -148758.9238 300.3472 -160.7924 -134.9395 558770.7627 -9.3701 -9.3309 PRESSURE: 364600 70.1836 -73.7853 83.1716 -73.785 188.751 45.2978 83.1712 45.2961 44.5543 GPRESSURE: 364600 137.271 -19.7306 34.0218 -47.8921 219.928 154.693 86.0072 20.424 45.7617 PRESSAVG: 364600 -36.3226 46.285 18.0371 46.285 -13.962 7.20164 18.0372 7.20152 15.9973 GPRESSAVG: 364600 -36.0916 46.5514 19.9266 44.5 -13.377 6.57707 17.2355 8.55626 14.7612 TIMING: 364600 CPU: 1078.4, 0.00296606/step Wall: 1078.4, 0.00296606/step, 3.81914 hours remaining, 202.769531 MB of memory in use. ENERGY: 364600 756.4691 2065.0501 1951.5063 111.7230 -206319.3367 18042.4662 0.0000 0.0000 34271.2617 -149120.8603 299.2995 -183392.1220 -149032.5620 300.4283 101.1628 134.3203 558238.9102 -11.4291 -11.5692 PRESSURE: 364800 -67.4572 -77.2049 -57.3578 -77.2038 -164.54 3.38708 -57.3573 3.38737 -231.035 GPRESSURE: 364800 -34.8175 -80.8812 -46.7963 -28.0562 -119.508 67.65 -138.059 -4.18733 -220.852 PRESSAVG: 364800 39.7996 15.4241 -27.4304 15.4241 24.3523 32.9606 -27.4304 32.9605 -57.8965 GPRESSAVG: 364800 40.3751 14.2621 -28.8641 16.7867 24.142 34.7598 -26.318 30.9059 -57.9066 TIMING: 364800 CPU: 1079, 0.00296858/step Wall: 1079, 0.00296858/step, 3.82221 hours remaining, 202.769531 MB of memory in use. ENERGY: 364800 787.3893 2021.4986 1951.5974 107.9457 -205709.4288 17585.0371 0.0000 0.0000 34189.6197 -149066.3411 298.5865 -183255.9608 -148967.3363 299.4188 -154.3441 -125.0591 557899.0431 2.0851 2.2035 PRESSURE: 365000 138.565 -141.947 -9.94821 -141.947 -18.0701 22.2906 -9.94929 22.2915 -374.781 GPRESSURE: 365000 193.258 -25.7448 23.538 -158.793 -41.1808 20.1381 -87.6308 -99.3821 -302.47 PRESSAVG: 365000 121.133 -33.4834 -10.8844 -33.4834 18.184 11.8501 -10.8844 11.8502 -108.658 GPRESSAVG: 365000 121.405 -32.4058 -10.139 -36.094 18.011 9.99581 -13.2542 11.9252 -109.001 TIMING: 365000 CPU: 1079.59, 0.00295165/step Wall: 1079.59, 0.00295165/step, 3.80025 hours remaining, 202.769531 MB of memory in use. ENERGY: 365000 764.1064 2058.7654 1941.2127 119.5136 -206238.2199 17686.2290 0.0000 0.0000 34565.5480 -149102.8449 301.8695 -183668.3929 -149011.9272 299.6932 -84.7621 -50.1309 556219.3055 10.2198 10.1383 PRESSURE: 365200 -137.726 29.6282 -74.0895 29.628 -182.592 30.805 -74.0901 30.8043 -208.399 GPRESSURE: 365200 -107.493 140.493 -139.415 -65.5116 -68.6351 34.1201 -165.172 71.6875 -257.871 PRESSAVG: 365200 -7.62437 -23.0937 44.3694 -23.0937 64.4775 26.7294 44.3694 26.7295 -70.1488 GPRESSAVG: 365200 -7.26649 -24.0764 45.3327 -20.7253 63.3617 27.8819 45.2684 27.1334 -69.6997 TIMING: 365200 CPU: 1080.18, 0.00297464/step Wall: 1080.18, 0.00297464/step, 3.82969 hours remaining, 202.769531 MB of memory in use. ENERGY: 365200 772.4808 2073.3737 1958.5646 107.9105 -205520.1765 17364.4990 0.0000 0.0000 34252.4764 -148990.8716 299.1354 -183243.3480 -148892.3292 299.3710 -176.2388 -144.6666 557867.3415 -4.4319 -4.5348 PRESSURE: 365400 -232.509 -84.53 -38.1281 -84.5298 111.426 -19.3399 -38.1277 -19.3387 -293.763 GPRESSURE: 365400 -184.95 -143.676 -46.1411 -71.2836 82.2815 -100.336 -15.0186 7.50587 -220.148 PRESSAVG: 365400 -21.1337 -8.50551 -7.29074 -8.50556 24.2716 26.1278 -7.2908 26.1278 25.4237 GPRESSAVG: 365400 -21.7536 -9.48919 -7.52319 -7.63355 24.3383 25.1002 -5.40014 27.0873 25.73 TIMING: 365400 CPU: 1080.77, 0.00295876/step Wall: 1080.77, 0.00295876/step, 3.80907 hours remaining, 202.769531 MB of memory in use. ENERGY: 365400 758.0781 2086.8423 1936.5743 104.8571 -205642.1859 17590.4816 0.0000 0.0000 34314.3364 -148851.0162 299.6756 -183165.3525 -148762.1084 300.0424 -138.2820 -107.6057 557767.5655 9.5205 9.4382 PRESSURE: 365600 -178.859 -118.082 117.34 -118.082 29.0984 11.6846 117.342 11.684 89.1898 GPRESSURE: 365600 -94.9691 -132.084 108.36 -131.698 43.6762 23.4448 179.082 8.94075 82.458 PRESSAVG: 365600 12.7618 65.6745 81.0982 65.6745 14.8194 21.4807 81.0982 21.4805 2.63858 GPRESSAVG: 365600 12.9779 66.7965 83.3792 65.0634 14.7711 22.9565 78.4642 22.5467 2.27134 TIMING: 365600 CPU: 1081.36, 0.00294583/step Wall: 1081.36, 0.00294583/step, 3.79226 hours remaining, 202.968750 MB of memory in use. ENERGY: 365600 787.5325 2072.5740 1931.9967 110.5390 -206008.3904 17931.4451 0.0000 0.0000 34367.2753 -148807.0277 300.1380 -183174.3030 -148718.7741 300.4745 -20.1902 10.3883 558178.8085 10.0733 10.0068 PRESSURE: 365800 51.3896 -94.977 -148.88 -94.9767 82.5839 -72.6004 -148.881 -72.6008 209.91 GPRESSURE: 365800 95.7697 -132.535 -117.763 -63.6486 117.045 -86.1575 -165.317 -24.4066 216.486 PRESSAVG: 365800 -38.0923 -38.8603 34.0065 -38.8603 7.70981 28.7443 34.0064 28.7444 -9.40763 GPRESSAVG: 365800 -37.1595 -39.9718 32.4601 -38.6097 7.83645 28.427 34.9618 27.0982 -11.1086 TIMING: 365800 CPU: 1081.95, 0.0029404/step Wall: 1081.95, 0.0029404/step, 3.78511 hours remaining, 202.968750 MB of memory in use. ENERGY: 365800 747.5678 2047.7777 1956.2978 122.2579 -205939.3030 17938.4684 0.0000 0.0000 34422.7183 -148704.2151 300.6222 -183126.9334 -148602.9293 300.1572 114.6278 143.1003 558471.0573 -13.2634 -13.4772 PRESSURE: 366000 236.028 -32.2648 31.3704 -32.2642 187.733 74.2413 31.3704 74.2434 7.35162 GPRESSURE: 366000 230.575 -2.79125 121.615 -77.2306 248.93 -7.1905 22.8661 89.4604 47.5286 PRESSAVG: 366000 36.0513 9.55682 21.8319 9.55676 27.2968 22.9738 21.8318 22.9738 -54.9087 GPRESSAVG: 366000 35.1504 10.9827 21.6146 7.46649 28.0675 20.7954 21.4089 22.864 -55.114 TIMING: 366000 CPU: 1082.54, 0.00294327/step Wall: 1082.54, 0.00294327/step, 3.78865 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: 366000 750.6866 2076.6593 1972.5724 102.2454 -206452.6586 18091.0849 0.0000 0.0000 34573.2139 -148886.1961 301.9365 -183459.4100 -148791.8313 300.1408 143.7042 175.6779 556614.6178 2.8132 2.7013 PRESSURE: 366200 -111.156 -43.5616 -11.0855 -43.5619 -260.18 31.9955 -11.0855 31.9964 437.695 GPRESSURE: 366200 -65.7093 -32.9208 0.467065 -67.4906 -239.95 6.0659 37.8842 69.3713 465.597 PRESSAVG: 366200 20.5416 -44.1896 -16.1087 -44.1896 -13.3534 -16.3736 -16.1087 -16.3736 -3.11466 GPRESSAVG: 366200 19.2833 -45.2617 -15.3558 -44.0639 -13.9744 -14.0948 -16.7773 -16.4836 -2.05997 TIMING: 366200 CPU: 1083.13, 0.00297095/step Wall: 1083.13, 0.00297095/step, 3.82411 hours remaining, 202.968750 MB of memory in use. ENERGY: 366200 745.5820 2139.3535 1925.4301 106.4382 -205884.4952 17676.3961 0.0000 0.0000 34353.7375 -148937.5578 300.0197 -183291.2953 -148844.8055 300.5846 22.1196 53.3125 556777.2057 1.3578 1.0830 PRESSURE: 366400 97.3234 2.60462 -21.4348 2.60465 -87.7896 15.1056 -21.4342 15.1049 -73.7957 GPRESSURE: 366400 136.857 -47.783 41.8716 88.9567 8.46208 -28.5856 -53.6578 22.8359 -124.523 PRESSAVG: 366400 -33.773 -44.912 24.9182 -44.9119 9.28852 43.4384 24.9181 43.4385 16.4896 GPRESSAVG: 366400 -33.2121 -42.3155 25.3788 -44.5821 9.18865 42.2318 25.3207 43.765 16.5169 TIMING: 366400 CPU: 1083.72, 0.00295695/step Wall: 1083.72, 0.00295695/step, 3.80592 hours remaining, 202.968750 MB of memory in use. ENERGY: 366400 772.4142 2086.4992 1913.6135 118.8265 -205950.1575 17869.5547 0.0000 0.0000 34105.5972 -149083.6521 297.8527 -183189.2493 -148993.9259 299.2878 -21.4207 6.9322 558277.0365 -2.6650 -2.5022 PRESSURE: 366600 64.8754 -253.457 15.2656 -253.458 128.889 -57.3159 15.2663 -57.3146 -25.971 GPRESSURE: 366600 110.089 -272.564 73.0295 -188.822 127.27 28.1358 29.6185 -94.7445 19.2837 PRESSAVG: 366600 63.2377 19.0374 48.0199 19.0374 -7.30524 27.3199 48.0198 27.3198 -31.3538 GPRESSAVG: 366600 64.6433 17.3248 47.2026 19.9656 -7.34141 27.7095 49.6056 25.7678 -32.1523 TIMING: 366600 CPU: 1084.31, 0.00294978/step Wall: 1084.31, 0.00294978/step, 3.79654 hours remaining, 202.968750 MB of memory in use. ENERGY: 366600 777.1232 2115.7923 1942.5232 100.3663 -206225.8922 17868.3203 0.0000 0.0000 34405.0631 -149016.7039 300.4680 -183421.7670 -148917.1248 299.8018 55.9312 85.5477 557537.3212 8.1929 8.3832 PRESSURE: 366800 -99.3712 11.4844 -225.762 11.4852 -280.973 157.76 -225.762 157.758 -233.785 GPRESSURE: 366800 -108.13 109.281 -231.258 -80.3462 -248.759 87.4025 -147.036 203.711 -161.812 PRESSAVG: 366800 -11.2671 -39.5502 45.4079 -39.5502 -45.6014 -14.1374 45.4079 -14.1373 1.28324 GPRESSAVG: 366800 -12.2466 -40.7052 45.9293 -40.6962 -46.2716 -16.2294 44.3645 -11.5558 2.71868 TIMING: 366800 CPU: 1084.91, 0.00296577/step Wall: 1084.91, 0.00296577/step, 3.81694 hours remaining, 202.968750 MB of memory in use. ENERGY: 366800 773.0254 2098.8770 1935.4668 128.3785 -205770.2316 17556.8098 0.0000 0.0000 34170.6321 -149107.0420 298.4206 -183277.6741 -149008.9925 298.8174 -204.7099 -172.9004 558906.0030 -18.5284 -18.5998 PRESSURE: 367000 -33.6073 116.889 44.5022 116.89 -38.7829 55.0024 44.5035 55.0038 -103.476 GPRESSURE: 367000 55.5661 101.147 -2.24974 138.134 -28.7293 63.5218 84.001 176.532 -95.6816 PRESSAVG: 367000 50.477 54.9907 -7.52905 54.9907 0.383145 33.9835 -7.529 33.9836 -102.028 GPRESSAVG: 367000 49.4317 54.8732 -8.01785 57.511 2.66566 34.8896 -7.53157 33.7435 -102.758 TIMING: 367000 CPU: 1085.5, 0.00294866/step Wall: 1085.5, 0.00294866/step, 3.79476 hours remaining, 202.968750 MB of memory in use. ENERGY: 367000 726.7796 2045.5484 1951.0186 121.5683 -206061.5741 17797.7310 0.0000 0.0000 34298.6815 -149120.2468 299.5389 -183418.9283 -149017.0419 299.4114 -58.6219 -22.9483 559215.6860 -17.0558 -16.8867 PRESSURE: 367200 -58.2883 71.1888 51.2848 71.1886 44.0329 -195.897 51.2841 -195.897 10.4558 GPRESSURE: 367200 -12.505 217.45 -26.5816 -29.9715 48.5321 -205.346 19.1261 -157.666 55.0218 PRESSAVG: 367200 -38.6959 22.9081 72.5726 22.9081 16.8125 -36.9884 72.5726 -36.9884 35.09 GPRESSAVG: 367200 -38.2675 24.4248 72.0765 22.3071 17.1911 -37.6253 74.0962 -37.9889 34.6355 TIMING: 367200 CPU: 1086.08, 0.00293698/step Wall: 1086.08, 0.00293698/step, 3.77957 hours remaining, 202.968750 MB of memory in use. ENERGY: 367200 759.0841 2103.2889 1953.6254 116.5643 -206191.9217 17811.9428 0.0000 0.0000 34323.0696 -149124.3466 299.7519 -183447.4162 -149022.0538 299.4948 -1.2665 30.3496 557108.5216 4.4022 4.5197 PRESSURE: 367400 -230.671 85.2912 -24.135 85.2914 -36.2933 -73.9275 -24.135 -73.9281 -41.8534 GPRESSURE: 367400 -195.541 51.7403 3.4327 134.087 80.5401 -34.2666 -72.4693 -30.1446 -87.897 PRESSAVG: 367400 -20.8904 27.7642 9.34027 27.7641 71.4357 -4.33094 9.34025 -4.33093 -50.7151 GPRESSAVG: 367400 -21.563 26.9019 8.2918 28.292 71.4316 -3.23437 7.60842 -4.4801 -49.7468 TIMING: 367400 CPU: 1086.68, 0.00296382/step Wall: 1086.68, 0.00296382/step, 3.81394 hours remaining, 202.968750 MB of memory in use. ENERGY: 367400 788.6420 2036.4804 1964.7593 118.5389 -206186.6495 17852.2476 0.0000 0.0000 34204.1075 -149221.8738 298.7130 -183425.9813 -149129.8531 299.0918 -102.9392 -67.6326 557261.8282 -0.0566 0.0406 PRESSURE: 367600 -268.769 104.965 -31.3488 104.964 -123.608 133.866 -31.3491 133.867 -85.4997 GPRESSURE: 367600 -156.412 66.9718 -37.0614 134.6 -174.409 147.537 -87.193 108.914 -52.8083 PRESSAVG: 367600 -50.1845 10.3517 1.41934 10.3517 -3.50665 -38.2906 1.41936 -38.2907 -19.6293 GPRESSAVG: 367600 -49.4658 7.41198 -0.485639 10.6465 -4.65727 -38.2992 2.48856 -37.7722 -19.2655 TIMING: 367600 CPU: 1087.27, 0.00298799/step Wall: 1087.27, 0.00298799/step, 3.84488 hours remaining, 202.968750 MB of memory in use. ENERGY: 367600 762.0669 2060.6913 1954.8591 137.5707 -205930.5825 17653.3307 0.0000 0.0000 34183.3985 -149178.6652 298.5321 -183362.0637 -149081.1381 298.9619 -159.2923 -127.8766 558656.7623 -24.4401 -24.4628 PRESSURE: 367800 -211.808 66.7731 17.8086 66.7741 -74.8808 -131.879 17.8069 -131.879 -196.727 GPRESSURE: 367800 -156.613 -15.8105 64.1034 109.316 -34.076 -101.746 23.3971 -135.592 -184.901 PRESSAVG: 367800 -58.6284 -34.299 -25.6777 -34.2991 59.2684 -6.00554 -25.6777 -6.00541 -26.2991 GPRESSAVG: 367800 -58.5105 -33.3165 -23.6025 -34.8131 60.1944 -6.4724 -24.2446 -6.03128 -26.924 TIMING: 367800 CPU: 1087.86, 0.00293743/step Wall: 1087.86, 0.00293743/step, 3.77965 hours remaining, 202.968750 MB of memory in use. ENERGY: 367800 792.5248 2091.1778 1943.4186 105.7894 -205836.2036 17658.4266 0.0000 0.0000 34053.5707 -149191.2957 297.3983 -183244.8664 -149098.9856 299.0266 -161.1386 -125.1968 558367.4239 -8.5530 -8.4134 PRESSURE: 368000 -7.11764 57.122 -61.0827 57.1228 191.062 -203.218 -61.0822 -203.218 -163.303 GPRESSURE: 368000 52.354 66.3825 -66.8506 108.348 186.96 -193.392 5.45339 -201.201 -119.387 PRESSAVG: 368000 -5.35834 26.1226 -1.98076 26.1227 63.7481 1.31047 -1.98081 1.31044 -14.2586 GPRESSAVG: 368000 -6.69008 27.7919 -2.25724 25.0436 63.6722 -0.81906 -2.29368 3.23379 -12.615 TIMING: 368000 CPU: 1088.45, 0.00295767/step Wall: 1088.45, 0.00295767/step, 3.80553 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: 368000 756.1294 2112.4491 1955.3078 108.1989 -205929.3121 17728.1010 0.0000 0.0000 34088.7614 -149180.3645 297.7056 -183269.1259 -149082.7953 299.2674 6.8805 39.9758 556610.6299 14.7104 14.7890 PRESSURE: 368200 -36.7532 105.577 94.201 105.577 75.4043 54.3308 94.2011 54.3311 185.417 GPRESSURE: 368200 -9.98689 149.525 86.5579 82.1975 130.578 45.8417 73.312 135.723 186.209 PRESSAVG: 368200 -78.3753 0.208734 -21.0067 0.208742 65.0153 -11.8386 -21.0067 -11.8386 -9.93076 GPRESSAVG: 368200 -77.3559 1.5432 -19.1064 0.146702 64.3723 -9.49125 -22.9134 -13.5431 -10.8917 TIMING: 368200 CPU: 1089.05, 0.00296457/step Wall: 1089.05, 0.00296457/step, 3.81425 hours remaining, 202.968750 MB of memory in use. ENERGY: 368200 734.9446 2112.7694 1958.2739 113.1341 -206281.3715 17810.1442 0.0000 0.0000 34353.5483 -149198.5570 300.0181 -183552.1052 -149103.7294 298.7469 74.6892 102.2668 555989.2970 -7.7636 -7.9585 LDB: ============= START OF LOAD BALANCING ============== 1092.47 LDB: ============== END OF LOAD BALANCING =============== 1092.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1092.47 LDB: ============= START OF LOAD BALANCING ============== 1092.77 LDB: Largest compute 4848 load 0.030944 is 26.3% of average load 0.117788 LDB: Average compute 0.001729 is 1.5% of average load 0.117788 LDB: TIME 1092.77 LOAD: AVG 0.117788 MAX 0.196748 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.559 MB LDB: TIME 1092.77 LOAD: AVG 0.117788 MAX 0.196748 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.586 MB LDB: TIME 1092.77 LOAD: AVG 0.117788 MAX 0.196748 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.586 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1092.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1092.78 PRESSURE: 368400 97.2006 119.27 112.214 119.269 137.771 33.1721 112.216 33.1727 218.503 GPRESSURE: 368400 128.117 114.659 244.994 125.585 187.057 38.3103 16.3441 32.6747 238.668 PRESSAVG: 368400 -43.8871 37.528 8.45489 37.5281 43.9759 13.5068 8.45493 13.5068 36.8337 GPRESSAVG: 368400 -43.8996 35.0003 7.77128 38.4091 44.2267 14.3383 6.03437 14.0326 36.8948 TIMING: 368400 CPU: 1089.65, 0.00300899/step Wall: 1089.65, 0.00300899/step, 3.87123 hours remaining, 203.558594 MB of memory in use. ENERGY: 368400 747.7845 2104.4941 1905.5568 111.1817 -205855.1998 17814.9081 0.0000 0.0000 34138.7203 -149032.5544 298.1419 -183171.2747 -148937.3796 299.5202 151.1582 184.6143 556703.2622 12.3075 12.4073 PRESSURE: 368600 -17.1229 -98.855 99.6487 -98.8538 84.7005 194.669 99.6493 194.671 -49.9401 GPRESSURE: 368600 61.8191 -142.712 62.6857 -103.668 101.831 118.804 102.751 204 -44.7256 PRESSAVG: 368600 -33.0799 43.0644 15.0481 43.0644 44.4115 13.9868 15.048 13.9866 47.721 GPRESSAVG: 368600 -33.0779 44.539 14.8656 40.8631 43.3567 12.6002 17.0645 14.9207 48.6498 TIMING: 368600 CPU: 1090.24, 0.00294122/step Wall: 1090.24, 0.00294122/step, 3.78388 hours remaining, 203.800781 MB of memory in use. ENERGY: 368600 752.5998 2083.7572 1923.8315 101.4999 -206255.5272 17883.5995 0.0000 0.0000 34552.6480 -148957.5913 301.7569 -183510.2393 -148860.5688 300.4221 5.8792 39.6414 557013.8148 19.6842 19.6429 PRESSURE: 368800 -83.1113 -35.3236 29.7294 -35.3229 247.281 53.6532 29.7286 53.6538 238.661 GPRESSURE: 368800 -27.8958 9.08374 122.495 -120.287 299.645 76.4159 -17.2798 34.202 235.914 PRESSAVG: 368800 -18.4386 -15.7947 -7.40067 -15.7947 21.0261 8.76296 -7.40072 8.76305 -1.9491 GPRESSAVG: 368800 -18.4373 -16.0923 -7.71029 -15.5267 22.0403 8.95731 -6.30607 8.07317 -3.26853 TIMING: 368800 CPU: 1090.83, 0.002944/step Wall: 1090.83, 0.002944/step, 3.7873 hours remaining, 203.800781 MB of memory in use. ENERGY: 368800 736.1905 2063.7494 1972.8666 101.6081 -205957.9193 17868.4709 0.0000 0.0000 34149.0836 -149065.9502 298.2324 -183215.0338 -148971.4119 299.6585 134.2770 169.2211 556048.3470 0.2128 0.1115 PRESSURE: 369000 101.271 -100.919 -129.746 -100.919 261.731 -65.8564 -129.747 -65.8558 3.70752 GPRESSURE: 369000 132.329 -120.882 -156.078 0.976907 302.039 -113.915 -135.61 37.5006 24.9695 PRESSAVG: 369000 0.19822 -18.2215 -37.2549 -18.2214 66.4381 -34.928 -37.255 -34.9279 4.48288 GPRESSAVG: 369000 0.302626 -17.4589 -36.9708 -16.8142 65.4874 -34.3351 -35.8059 -34.754 4.96028 TIMING: 369000 CPU: 1091.41, 0.00292228/step Wall: 1091.41, 0.00292228/step, 3.75919 hours remaining, 203.800781 MB of memory in use. ENERGY: 369000 699.9856 2082.3886 1936.7551 125.4218 -206001.3327 17809.5508 0.0000 0.0000 34279.2394 -149067.9914 299.3691 -183347.2308 -148972.6299 299.6832 122.2366 153.1123 556600.7922 23.7064 23.5834 PRESSURE: 369200 80.7897 -298.101 4.40974 -298.101 25.3185 -53.7146 4.40961 -53.7144 152.152 GPRESSURE: 369200 78.4335 -229.779 -58.6495 -222.179 87.7128 -7.78547 42.9474 -109.283 179.711 PRESSAVG: 369200 -46.5244 -11.0135 2.66808 -11.0135 50.7319 -32.6121 2.66799 -32.6121 39.7342 GPRESSAVG: 369200 -46.7126 -10.6824 3.16095 -11.5083 50.1601 -34.5763 1.81583 -34.1322 40.5979 TIMING: 369200 CPU: 1092, 0.00293957/step Wall: 1092, 0.00293957/step, 3.78127 hours remaining, 203.800781 MB of memory in use. ENERGY: 369200 743.4242 2073.1528 1921.4327 115.7760 -205862.3647 17895.5324 0.0000 0.0000 34079.4821 -149033.5647 297.6246 -183113.0467 -148942.1189 299.5783 86.0868 115.2857 557989.0150 14.6472 14.6818 PRESSURE: 369400 -228.392 49.4375 21.3037 49.4368 -224.634 -41.9067 21.3034 -41.9053 -64.4879 GPRESSURE: 369400 -314.819 -15.9891 104.999 91.227 -122.113 -8.44059 10.8277 -1.77604 27.8926 PRESSAVG: 369400 32.5431 35.8593 13.7083 35.8593 -21.4977 6.39708 13.7083 6.39713 14.011 GPRESSAVG: 369400 31.7071 35.1327 13.3904 35.6771 -21.9084 7.97907 13.901 7.59307 14.7372 TIMING: 369400 CPU: 1092.59, 0.00296235/step Wall: 1092.59, 0.00296235/step, 3.8104 hours remaining, 203.800781 MB of memory in use. ENERGY: 369400 761.1323 2114.2385 1932.5501 121.7938 -206000.6492 17720.7842 0.0000 0.0000 34355.3778 -148994.7726 300.0341 -183350.1503 -148898.3905 299.4921 -172.5049 -136.3466 559618.8545 8.3522 8.1786 PRESSURE: 369600 -42.5687 217.539 28.8646 217.538 171.473 95.3084 28.8628 95.3088 3.04279 GPRESSURE: 369600 99.7613 175.84 22.3052 290.448 181.028 76.766 70.3165 110.542 -55.5588 PRESSAVG: 369600 -13.2278 -2.75688 -7.9189 -2.75689 35.9721 4.54238 -7.91899 4.54239 23.7031 GPRESSAVG: 369600 -13.2819 -2.83441 -8.78866 -2.49289 35.864 2.84087 -5.82126 5.313 23.4641 TIMING: 369600 CPU: 1093.18, 0.00297062/step Wall: 1093.18, 0.00297062/step, 3.82088 hours remaining, 203.800781 MB of memory in use. ENERGY: 369600 750.9911 2122.3827 1949.4653 124.5408 -206224.7364 18056.6889 0.0000 0.0000 34145.5542 -149075.1135 298.2016 -183220.6677 -148981.6741 299.0751 43.9825 75.0767 559470.8310 15.4825 15.3487 PRESSURE: 369800 -302.387 -73.2538 10.4521 -73.254 -184.67 98.501 10.4519 98.502 -59.9611 GPRESSURE: 369800 -299.697 -52.5282 29.853 -120.49 -136.517 172.767 56.6289 -7.9358 -10.1102 PRESSAVG: 369800 -82.457 9.82489 8.88581 9.82483 75.0888 -15.8888 8.88585 -15.8888 -11.9112 GPRESSAVG: 369800 -83.2174 10.7346 10.6423 9.60525 74.4239 -13.4251 5.73478 -17.8388 -10.9631 TIMING: 369800 CPU: 1093.77, 0.00295148/step Wall: 1093.77, 0.00295148/step, 3.7961 hours remaining, 203.800781 MB of memory in use. ENERGY: 369800 731.8843 2131.1360 1934.2377 113.7857 -205958.0939 17595.9464 0.0000 0.0000 34393.5725 -149057.5312 300.3676 -183451.1038 -148956.5354 300.0097 -182.3392 -148.7747 558900.0390 -6.4265 -6.5855 PRESSURE: 370000 126.191 -112.402 -46.384 -112.401 -117.708 24.1365 -46.3834 24.1375 113.409 GPRESSURE: 370000 137.231 -166.455 -19.5211 -33.3471 -56.2794 47.7643 -32.221 40.5147 134.878 PRESSAVG: 370000 -4.06538 -31.6351 -8.35872 -31.635 -64.9135 71.8265 -8.35874 71.8264 36.2262 GPRESSAVG: 370000 -3.94918 -32.4837 -7.85628 -31.2987 -64.3304 72.2688 -9.05542 72.4996 35.1855 TIMING: 370000 CPU: 1094.36, 0.00294139/step Wall: 1094.36, 0.00294139/step, 3.78296 hours remaining, 203.800781 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: 370000 753.9610 2090.6465 1935.7517 114.2346 -205983.4443 17778.0964 0.0000 0.0000 34305.0272 -149005.7268 299.5943 -183310.7540 -148910.6395 299.3679 40.6308 71.9432 558201.4380 -10.9176 -11.0314 PRESSURE: 370200 -7.13909 -55.741 -192.718 -55.74 -335.756 23.5938 -192.717 23.5945 -428.782 GPRESSURE: 370200 38.1539 -28.8222 -207.702 -53.7404 -355.74 36.6645 -148.197 -57.0375 -359.432 PRESSAVG: 370200 -29.4476 15.4736 12.5792 15.4735 -36.4704 47.8942 12.5792 47.8942 45.5165 GPRESSAVG: 370200 -29.5296 15.6777 11.1716 14.8169 -35.8541 47.836 14.9659 47.0606 45.1279 TIMING: 370200 CPU: 1094.96, 0.00296128/step Wall: 1094.96, 0.00296128/step, 3.80838 hours remaining, 203.800781 MB of memory in use. ENERGY: 370200 783.0858 2073.7130 1917.0794 115.2628 -205931.2558 17488.5682 0.0000 0.0000 34561.1047 -148992.4419 301.8307 -183553.5466 -148888.6585 299.6908 -257.2258 -225.6727 557264.5819 -6.8005 -6.7519 PRESSURE: 370400 29.4372 -40.1993 -19.0151 -40.1996 -21.8928 -126.298 -19.0155 -126.299 -1.38259 GPRESSURE: 370400 91.7883 35.8667 74.1138 -41.6771 -30.2186 -118.929 -22.9894 -127.864 33.7455 PRESSAVG: 370400 21.2588 -25.1884 34.189 -25.1885 -39.6312 -11.4479 34.189 -11.448 17.5978 GPRESSAVG: 370400 21.2177 -24.8385 34.3919 -25.3168 -39.8964 -11.2117 31.3337 -11.3154 17.6274 TIMING: 370400 CPU: 1095.55, 0.00296665/step Wall: 1095.55, 0.00296665/step, 3.81511 hours remaining, 203.855469 MB of memory in use. ENERGY: 370400 776.0948 2047.9656 1917.6513 117.6427 -206125.0976 17727.2174 0.0000 0.0000 34527.4639 -149011.0619 301.5369 -183538.5257 -148922.5509 299.8515 2.0539 31.7717 557520.6281 -0.2582 -0.3504 PRESSURE: 370600 65.2512 65.9754 114.345 65.9749 -19.044 -5.25299 114.344 -5.25173 403.617 GPRESSURE: 370600 120.404 96.2634 144.703 5.34488 26.0653 91.6302 114.713 -101.497 402.237 PRESSAVG: 370600 36.899 22.4777 15.0416 22.4776 -38.1313 2.04828 15.0415 2.04833 -18.6189 GPRESSAVG: 370600 37.1207 21.6395 14.2003 22.492 -37.3318 1.57606 14.7842 2.05272 -19.2384 TIMING: 370600 CPU: 1096.15, 0.00298345/step Wall: 1096.15, 0.00298345/step, 3.83655 hours remaining, 203.855469 MB of memory in use. ENERGY: 370600 734.1965 2096.4843 1923.2775 119.3542 -206284.5377 17950.5407 0.0000 0.0000 34430.3213 -149030.3632 300.6886 -183460.6845 -148934.0157 300.0604 149.9412 182.9021 557799.3732 -6.6170 -6.4832 PRESSURE: 370800 -139.651 -27.6562 -21.9752 -27.6563 -82.759 171.995 -21.9751 171.995 -87.0365 GPRESSURE: 370800 -120.176 -42.6682 -84.6329 -8.77731 -41.8704 207.505 -31.0164 186.871 -50.9849 PRESSAVG: 370800 7.84389 8.97564 -16.0726 8.9756 -6.14317 51.352 -16.0726 51.352 -32.8852 GPRESSAVG: 370800 8.19816 10.202 -16.2854 9.07535 -6.95206 51.6081 -15.0971 52.5109 -32.8886 TIMING: 370800 CPU: 1096.74, 0.00298065/step Wall: 1096.74, 0.00298065/step, 3.83278 hours remaining, 203.925781 MB of memory in use. ENERGY: 370800 739.0733 2107.9926 1971.3478 113.9522 -205718.3521 17556.8999 0.0000 0.0000 34392.7088 -148836.3776 300.3601 -183229.0864 -148737.7307 300.1552 -103.1489 -71.0105 559024.2741 -10.3948 -10.5475 PRESSURE: 371000 -78.6433 89.0064 -82.4123 89.0065 172.333 84.352 -82.413 84.3494 -251.232 GPRESSURE: 371000 -60.7826 73.0174 -97.8044 90.6342 186.787 28.4812 -104.473 145.283 -202.851 PRESSAVG: 371000 24.0091 7.82023 1.79524 7.8201 -14.7318 24.9821 1.79521 24.9821 2.12216 GPRESSAVG: 371000 23.8114 7.13686 3.19843 8.48049 -14.8682 24.9467 2.48177 22.4046 2.75777 TIMING: 371000 CPU: 1097.34, 0.00296926/step Wall: 1097.34, 0.00296926/step, 3.81798 hours remaining, 203.925781 MB of memory in use. ENERGY: 371000 734.9007 2111.6354 1945.7902 123.9292 -205753.5201 17617.2733 0.0000 0.0000 34231.9049 -148988.0864 298.9557 -183219.9913 -148887.2054 299.5805 -52.5142 -25.6154 558572.1856 3.7998 3.9003 PRESSURE: 371200 -118.472 -84.8195 -116.729 -84.8198 -110.546 71.5701 -116.729 71.571 -20.1834 GPRESSURE: 371200 -61.7801 -56.4505 -37.2652 -97.7227 -60.6644 31.4193 -145.719 126.814 -39.0023 PRESSAVG: 371200 42.9103 38.9649 -27.0861 38.9649 3.44834 1.75378 -27.0862 1.7537 -44.5294 GPRESSAVG: 371200 41.1727 38.5588 -28.3097 40.5751 3.77679 2.09189 -25.6018 3.06502 -43.5935 TIMING: 371200 CPU: 1097.93, 0.00296519/step Wall: 1097.93, 0.00296519/step, 3.81258 hours remaining, 203.925781 MB of memory in use. ENERGY: 371200 730.7526 2160.4111 1933.7646 110.0131 -205793.9704 17558.2212 0.0000 0.0000 34143.2144 -149157.5934 298.1812 -183300.8078 -149056.7724 299.1449 -83.0674 -53.8156 556477.2084 0.6098 0.4520 PRESSURE: 371400 -186.916 87.6462 -158.564 87.6476 201.507 -74.9514 -158.564 -74.9526 -176.056 GPRESSURE: 371400 -97.0918 175.963 -96.2913 19.0863 182.914 -89.322 -220.265 -12.6386 -150.22 PRESSAVG: 371400 -3.14842 51.1802 -20.6464 51.1802 12.5133 8.8873 -20.6463 8.88735 2.20658 GPRESSAVG: 371400 -1.69694 52.2114 -19.5431 47.9197 11.9447 8.80873 -21.8045 8.56255 0.783834 TIMING: 371400 CPU: 1098.52, 0.00295733/step Wall: 1098.52, 0.00295733/step, 3.80231 hours remaining, 203.925781 MB of memory in use. ENERGY: 371400 759.0883 2110.1193 1915.4344 108.5548 -206037.3200 17728.3695 0.0000 0.0000 34344.1543 -149071.5993 299.9360 -183415.7537 -148977.3954 299.0943 -53.8217 -21.4660 557900.8865 3.8572 3.6772 PRESSURE: 371600 9.67199 -57.5213 15.0565 -57.5206 56.8704 -74.3154 15.0572 -74.3146 294.095 GPRESSURE: 371600 103.131 -121.301 -58.9686 -82.6334 28.6188 -37.4303 54.7963 -60.0382 325.614 PRESSAVG: 371600 -12.2767 13.2157 -36.2564 13.2157 17.5747 30.982 -36.2564 30.9821 -15.5337 GPRESSAVG: 371600 -12.7831 12.4799 -37.7965 13.9582 18.395 30.1821 -36.0304 31.3289 -15.6955 TIMING: 371600 CPU: 1099.11, 0.00295485/step Wall: 1099.11, 0.00295485/step, 3.79895 hours remaining, 203.925781 MB of memory in use. ENERGY: 371600 736.1882 2080.0910 1945.9883 122.7200 -206312.9443 18008.3674 0.0000 0.0000 34010.7358 -149408.8536 297.0242 -183419.5893 -149319.8736 299.3680 120.2124 152.4545 557010.7739 -3.4119 -3.3612 PRESSURE: 371800 -217.223 -36.6461 -134.46 -36.6468 -126.109 -92.9253 -134.462 -92.9265 117.442 GPRESSURE: 371800 -208.282 4.90566 -110.583 -17.1036 -65.6553 -62.3186 -179.422 -100.646 141.347 PRESSAVG: 371800 -2.44857 -6.32116 -74.5754 -6.32119 18.3314 57.058 -74.5755 57.0581 28.333 GPRESSAVG: 371800 -2.55439 -6.29703 -73.3067 -4.13367 19.2186 57.6344 -75.3272 56.0391 28.4343 TIMING: 371800 CPU: 1099.7, 0.00295852/step Wall: 1099.7, 0.00295852/step, 3.80351 hours remaining, 203.925781 MB of memory in use. ENERGY: 371800 730.0277 2079.4673 1938.8447 111.7027 -206106.1726 17626.9604 0.0000 0.0000 34394.5119 -149224.6580 300.3758 -183619.1699 -149129.8131 299.2785 -75.2967 -44.1970 558853.6610 14.7386 15.0328 PRESSURE: 372000 -53.9511 86.7076 -32.6856 86.7076 -132.971 63.2444 -32.6868 63.2442 -339.854 GPRESSURE: 372000 -38.6227 28.0396 29.5343 106.629 -138.923 38.3311 -29.2327 172.464 -261.029 PRESSAVG: 372000 -13.626 20.7637 16.283 20.7637 31.9271 70.776 16.283 70.7759 2.15531 GPRESSAVG: 372000 -13.651 21.9729 16.1224 17.3967 31.3485 68.0636 15.2774 73.6738 2.83668 TIMING: 372000 CPU: 1100.29, 0.00296185/step Wall: 1100.29, 0.00296185/step, 3.80762 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: 372000 722.2847 2132.0910 1935.3921 119.5740 -206095.8352 17565.7422 0.0000 0.0000 34304.2821 -149316.4691 299.5878 -183620.7513 -149219.5740 299.3868 -175.5920 -146.1916 557996.6547 6.8188 6.8447 PRESSURE: 372200 -52.0058 73.6589 -177.466 73.6577 -76.6076 -12.8165 -177.464 -12.8156 227.195 GPRESSURE: 372200 -4.29437 28.4179 -83.3283 169.005 -32.8446 -26.4008 -190.007 -9.58208 225.661 PRESSAVG: 372200 -29.6193 -11.3867 -7.25391 -11.3867 -7.13038 10.9482 -7.25408 10.948 66.7946 GPRESSAVG: 372200 -30.0557 -11.1668 -8.24945 -10.5549 -8.19667 13.9336 -5.87298 9.1863 68.0746 TIMING: 372200 CPU: 1100.89, 0.00296212/step Wall: 1100.89, 0.00296212/step, 3.80781 hours remaining, 203.925781 MB of memory in use. ENERGY: 372200 741.2612 2083.0257 1977.5024 117.8163 -206265.8398 17816.9561 0.0000 0.0000 34235.9813 -149293.2968 298.9913 -183529.2781 -149201.3916 298.4080 32.8607 62.8406 555603.7382 10.0150 9.9407 LDB: ============= START OF LOAD BALANCING ============== 1104.31 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1104.31 LDB: =============== DONE WITH MIGRATION ================ 1104.31 LDB: ============= START OF LOAD BALANCING ============== 1104.61 LDB: Largest compute 4848 load 0.031348 is 26.6% of average load 0.117687 LDB: Average compute 0.001733 is 1.5% of average load 0.117687 LDB: TIME 1104.61 LOAD: AVG 0.117687 MAX 0.1978 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.594 MB LDB: TIME 1104.61 LOAD: AVG 0.117687 MAX 0.1978 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.594 MB LDB: TIME 1104.61 LOAD: AVG 0.117687 MAX 0.1978 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1104.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1104.62 PRESSURE: 372400 -109.987 -80.4433 57.1468 -80.4423 -197.071 -124.016 57.1482 -124.015 100.285 GPRESSURE: 372400 10.7597 -49.9164 18.6422 -13.631 -193.29 -61.9561 85.6035 -119.333 65.8309 PRESSAVG: 372400 -73.2015 14.3965 -19.4963 14.3966 20.984 -11.1024 -19.4962 -11.1024 53.0471 GPRESSAVG: 372400 -73.2683 15.6543 -17.1653 14.7805 23.489 -11.4738 -21.1585 -11.9313 50.6205 TIMING: 372400 CPU: 1101.49, 0.00301611/step Wall: 1101.49, 0.00301611/step, 3.87704 hours remaining, 203.023438 MB of memory in use. ENERGY: 372400 728.3837 2067.5360 1939.3545 117.5848 -206276.4747 17812.4334 0.0000 0.0000 34392.2736 -149218.9087 300.3563 -183611.1824 -149117.1675 299.7359 -68.9243 -38.8999 556133.0027 0.2765 0.2804 PRESSURE: 372600 -139.45 147.26 13.8905 147.261 -113.188 58.0332 13.8901 58.0324 -102.235 GPRESSURE: 372600 -150.202 123.974 -17.0464 197.451 -97.5733 -8.97245 -37.2267 87.1489 2.82711 PRESSAVG: 372600 -16.6571 1.74283 51.4877 1.74284 25.1789 -35.2355 51.4877 -35.2355 -24.1355 GPRESSAVG: 372600 -15.9176 -1.83899 50.5055 3.60399 23.6762 -35.8923 52.7512 -37.3178 -22.9474 TIMING: 372600 CPU: 1102.08, 0.00295257/step Wall: 1102.08, 0.00295257/step, 3.7952 hours remaining, 203.023438 MB of memory in use. ENERGY: 372600 773.9061 2088.2788 1912.1991 125.2673 -206267.9319 17884.6281 0.0000 0.0000 34283.5571 -149200.0953 299.4068 -183483.6524 -149109.9108 299.4434 -118.2911 -81.6494 558393.6221 -5.2046 -5.0629 PRESSURE: 372800 -181.649 -101.375 -36.8356 -101.375 -66.0385 -3.28798 -36.8368 -3.28723 -89.9846 GPRESSURE: 372800 -148.09 -90.6688 -54.8808 -149.375 -45.8923 5.0131 -66.6377 -41.1043 -44.747 PRESSAVG: 372800 -13.8239 1.5529 -13.6932 1.55297 -13.0341 38.1398 -13.6932 38.1398 -35.2044 GPRESSAVG: 372800 -13.3278 3.18389 -15.415 0.732006 -12.6307 37.9728 -13.1906 39.2154 -36.3646 TIMING: 372800 CPU: 1102.67, 0.00293618/step Wall: 1102.67, 0.00293618/step, 3.77397 hours remaining, 203.078125 MB of memory in use. ENERGY: 372800 712.7208 2114.1257 1927.6014 100.9485 -206040.5595 17630.7035 0.0000 0.0000 34248.2633 -149306.1963 299.0986 -183554.4596 -149211.4287 298.9103 -112.5574 -79.5764 558145.8622 -20.6875 -20.7744 PRESSURE: 373000 -128.755 -162.402 57.8236 -162.402 58.8418 29.4939 57.824 29.4939 -152.825 GPRESSURE: 373000 -35.2379 -180.235 -0.644863 -153.88 54.3266 -54.9629 89.1616 95.8306 -144.002 PRESSAVG: 373000 -59.0931 -25.7537 -45.0576 -25.7537 34.0921 41.4235 -45.0576 41.4236 48.7766 GPRESSAVG: 373000 -59.8285 -25.8005 -44.0396 -28.4256 35.3092 40.2344 -45.9121 43.2751 48.2901 TIMING: 373000 CPU: 1103.26, 0.00295461/step Wall: 1103.26, 0.00295461/step, 3.79749 hours remaining, 203.078125 MB of memory in use. ENERGY: 373000 727.9558 2095.1318 1949.4538 118.7652 -206164.1403 17771.3340 0.0000 0.0000 34310.1934 -149191.3062 299.6395 -183501.4996 -149096.0774 299.2597 -74.2460 -41.6378 557996.3211 7.9252 7.9236 PRESSURE: 373200 -194.04 23.2614 -91.5838 23.2622 143.906 78.9243 -91.5842 78.9243 -99.7773 GPRESSURE: 373200 -114.163 -91.8883 -108.335 0.101997 151.378 103.048 -94.4065 87.5563 -89.3037 PRESSAVG: 373200 -26.5223 2.77034 38.0015 2.77035 13.0883 38.8376 38.0015 38.8375 -16.6033 GPRESSAVG: 373200 -26.056 4.14809 37.4614 3.51285 11.9013 40.5506 38.554 36.5078 -16.1964 TIMING: 373200 CPU: 1103.85, 0.00293965/step Wall: 1103.85, 0.00293965/step, 3.7781 hours remaining, 203.078125 MB of memory in use. ENERGY: 373200 758.1330 2111.2653 1936.9887 118.3950 -206147.0362 17754.5942 0.0000 0.0000 34356.9392 -149110.7206 300.0477 -183467.6599 -149014.3823 300.0117 -49.9705 -17.3628 556533.3716 -10.0124 -10.1171 PRESSURE: 373400 -250.693 -11.2025 -2.02616 -11.204 -216.222 -77.1871 -2.02605 -77.1868 -74.3605 GPRESSURE: 373400 -219.941 45.4038 17.8124 -17.2193 -207.01 -5.61766 82.5578 -161.281 -15.9767 PRESSAVG: 373400 -25.2385 40.1651 26.0508 40.165 19.6744 1.57432 26.0509 1.57429 24.6255 GPRESSAVG: 373400 -25.1598 36.6832 25.2494 42.5952 20.7028 1.79309 26.7419 1.42986 23.7284 TIMING: 373400 CPU: 1104.44, 0.00294132/step Wall: 1104.44, 0.00294132/step, 3.78009 hours remaining, 203.078125 MB of memory in use. ENERGY: 373400 707.8726 2115.0564 1931.7683 106.1804 -205782.0527 17349.8744 0.0000 0.0000 34305.1471 -149266.1535 299.5954 -183571.3007 -149171.8178 299.2215 -180.4252 -147.6424 556202.2312 6.3538 6.4238 PRESSURE: 373600 -9.66995 40.7412 138.329 40.742 -72.0779 13.8587 138.33 13.8586 47.2892 GPRESSURE: 373600 14.82 53.5457 117.662 -29.77 -53.2911 44.1521 52.5808 -17.7769 103.402 PRESSAVG: 373600 -18.6485 -7.14651 11.1828 -7.1465 -14.2862 19.7081 11.1828 19.708 41.2517 GPRESSAVG: 373600 -18.8201 -5.70063 9.14742 -9.34352 -15.6778 19.2004 11.3227 18.882 42.7481 TIMING: 373600 CPU: 1105.03, 0.00294924/step Wall: 1105.03, 0.00294924/step, 3.7901 hours remaining, 203.078125 MB of memory in use. ENERGY: 373600 745.7302 2077.4169 1975.7143 118.0821 -206315.2555 17771.3123 0.0000 0.0000 34411.6555 -149215.3442 300.5255 -183626.9997 -149106.8390 299.8046 -11.4862 21.6436 555800.4033 2.7723 2.7501 PRESSURE: 373800 -252.59 13.9464 226.78 13.9471 -48.6079 -3.16767 226.78 -3.16644 -146.821 GPRESSURE: 373800 -203.158 -48.7667 224.832 -9.97897 -12.4589 34.9492 219.243 -52.8191 -129.157 PRESSAVG: 373800 14.3342 -35.1801 54.9521 -35.1801 4.70963 -30.9855 54.9521 -30.9855 -16.2743 GPRESSAVG: 373800 14.1172 -34.0709 60.6196 -36.4844 5.86842 -29.6916 52.5675 -30.3792 -17.1661 TIMING: 373800 CPU: 1105.62, 0.0029534/step Wall: 1105.62, 0.0029534/step, 3.79529 hours remaining, 203.078125 MB of memory in use. ENERGY: 373800 722.2450 2163.7146 1955.7951 117.4100 -205615.1042 17397.9589 0.0000 0.0000 34231.0556 -149026.9250 298.9483 -183257.9806 -148924.6355 300.0043 -149.3397 -114.9246 557076.8302 0.9232 0.9398 PRESSURE: 374000 27.3981 190.378 82.554 190.378 183.459 -85.9348 82.5545 -85.936 58.0322 GPRESSURE: 374000 36.5045 131.666 60.6723 221.872 217.748 -34.5007 79.1239 -14.4797 112.988 PRESSAVG: 374000 -1.49919 15.7406 -1.23495 15.7406 26.6404 13.5422 -1.23501 13.5422 12.2059 GPRESSAVG: 374000 -0.531155 15.2281 -4.94372 17.995 26.1222 12.5075 1.21937 16.236 12.1279 TIMING: 374000 CPU: 1106.21, 0.00297291/step Wall: 1106.21, 0.00297291/step, 3.82019 hours remaining, 203.078125 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: 374000 738.6592 2122.9153 1967.8189 117.0084 -206170.4172 17976.4986 0.0000 0.0000 34182.6521 -149064.8647 298.5256 -183247.5168 -148962.2542 299.3174 89.6299 122.4132 557825.4405 12.4490 12.5730 PRESSURE: 374200 -138.883 116.037 17.8373 116.036 65.7385 -5.15397 17.8376 -5.15314 46.1324 GPRESSURE: 374200 -108.672 55.6679 57.7287 89.7324 113.716 -8.91684 17.3026 -16.32 59.4893 PRESSAVG: 374200 11.1631 51.2305 -16.9475 51.2305 -10.2933 27.1565 -16.9474 27.1565 0.989146 GPRESSAVG: 374200 11.4347 51.1874 -15.9838 50.7284 -11.161 26.1437 -17.8317 26.1938 1.28484 TIMING: 374200 CPU: 1106.81, 0.00299635/step Wall: 1106.81, 0.00299635/step, 3.85014 hours remaining, 203.078125 MB of memory in use. ENERGY: 374200 747.5559 2102.7495 1948.2040 123.2443 -205998.8721 17720.4834 0.0000 0.0000 34385.8085 -148970.8265 300.2998 -183356.6350 -148866.4457 299.5193 -9.0039 21.5112 557797.5544 0.6197 0.5195 PRESSURE: 374400 -99.7125 114.915 52.2537 114.913 125.524 126.813 52.2552 126.813 19.138 GPRESSURE: 374400 -117.975 69.5524 25.6884 87.0404 189.625 127.383 39.6696 55.5662 65.6403 PRESSAVG: 374400 -23.2985 -9.69182 24.2969 -9.69188 23.3154 17.1785 24.2969 17.1785 23.1832 GPRESSAVG: 374400 -24.2268 -10.1013 24.6195 -9.86342 24.329 18.2101 23.1619 17.1692 22.9639 TIMING: 374400 CPU: 1107.41, 0.00298727/step Wall: 1107.41, 0.00298727/step, 3.83831 hours remaining, 203.078125 MB of memory in use. ENERGY: 374400 762.5283 2139.4950 1943.7718 114.7768 -206185.8294 17780.2729 0.0000 0.0000 34530.3051 -148914.6795 301.5617 -183444.9846 -148804.2589 299.9221 14.9833 45.7632 556943.6836 7.7334 7.6887 PRESSURE: 374600 -226.549 -155.81 -63.7141 -155.809 225.314 249.824 -63.7149 249.825 -345.965 GPRESSURE: 374600 -175.937 -98.5526 -46.33 -176.451 268.976 300.625 -74.2227 250.046 -327.045 PRESSAVG: 374600 -4.98723 -15.9454 -12.3287 -15.9454 47.1981 2.58638 -12.3287 2.58637 -46.0572 GPRESSAVG: 374600 -4.95375 -17.5446 -13.22 -15.4591 48.262 2.25029 -10.989 3.19888 -46.7887 TIMING: 374600 CPU: 1108, 0.00294689/step Wall: 1108, 0.00294689/step, 3.78626 hours remaining, 203.078125 MB of memory in use. ENERGY: 374600 741.0795 2157.1231 1939.0422 126.5389 -205909.5551 17639.5510 0.0000 0.0000 34320.3626 -148985.8578 299.7283 -183306.2204 -148892.7349 300.1583 -115.7334 -78.0018 558112.3299 -1.2821 -1.1601 PRESSURE: 374800 -11.4333 -62.0086 118.079 -62.0095 -2.43681 -67.8194 118.079 -67.8204 -57.9278 GPRESSURE: 374800 -45.9432 -77.5693 30.7503 -32.5134 35.2696 -111.536 189.068 -69.5507 47.1249 PRESSAVG: 374800 -46.663 -35.3426 -27.1848 -35.3426 74.3205 22.4386 -27.185 22.4386 17.2456 GPRESSAVG: 374800 -46.1283 -33.5773 -29.0473 -34.9675 73.2865 23.5005 -25.3357 21.132 17.4561 TIMING: 374800 CPU: 1108.59, 0.00297264/step Wall: 1108.59, 0.00297264/step, 3.81918 hours remaining, 203.078125 MB of memory in use. ENERGY: 374800 740.0287 2097.6669 1967.5430 94.5385 -206115.5035 17829.4841 0.0000 0.0000 34159.6114 -149226.6310 298.3244 -183386.2424 -149130.5011 299.8690 -23.9326 12.1505 556785.0984 14.9677 14.8714 PRESSURE: 375000 127.66 -67.8863 -7.8337 -67.885 91.6065 -33.2846 -7.83184 -33.2853 -87.3752 GPRESSURE: 375000 157.831 -66.2629 -74.6488 -91.2527 117.087 78.7865 3.23229 -99.86 -59.5033 PRESSAVG: 375000 32.5372 -16.5862 34.855 -16.5862 41.2132 8.88361 34.855 8.88363 -72.8388 GPRESSAVG: 375000 32.7116 -16.3649 37.2231 -16.9558 41.2488 6.88718 32.7906 9.76964 -73.6778 TIMING: 375000 CPU: 1109.19, 0.00298058/step Wall: 1109.19, 0.00298058/step, 3.82922 hours remaining, 203.078125 MB of memory in use. ENERGY: 375000 735.7169 2093.5209 1952.0059 118.2451 -206404.6284 17920.9999 0.0000 0.0000 34331.2103 -149252.9294 299.8230 -183584.1397 -149153.5408 299.7723 43.9636 71.8049 557148.0657 0.3039 0.0942 PRESSURE: 375200 81.4733 138.298 32.5652 138.298 -177.02 -100.85 32.5653 -100.85 160.073 GPRESSURE: 375200 123.414 94.6806 -0.590777 214.49 -163.23 -95.5026 -8.86866 -74.7032 200.87 PRESSAVG: 375200 49.849 61.87 22.5864 61.87 -45.3166 -7.41117 22.5866 -7.41117 -2.95896 GPRESSAVG: 375200 48.3922 60.6987 22.0506 60.9387 -44.9403 -6.44585 21.6379 -7.74136 -1.8256 TIMING: 375200 CPU: 1109.78, 0.00298284/step Wall: 1109.78, 0.00298284/step, 3.83195 hours remaining, 203.078125 MB of memory in use. ENERGY: 375200 749.1249 2096.3399 1959.7703 121.3318 -206470.6471 17912.8030 0.0000 0.0000 34424.7282 -149206.5490 300.6397 -183631.2771 -149121.4686 299.8361 21.5087 53.6846 557246.3383 0.5245 0.5421 PRESSURE: 375400 -138.938 -164.364 116.183 -164.364 -145.892 -146.745 116.183 -146.746 124.81 GPRESSURE: 375400 -123.466 -113.572 184.571 -109.307 -102.161 -151.294 80.1267 -48.9921 159.195 PRESSAVG: 375400 -16.4694 -6.76959 23.4615 -6.7696 -32.1484 12.1588 23.4616 12.1587 54.8974 GPRESSAVG: 375400 -15.1334 -6.16784 22.7628 -5.10071 -32.6836 14.0633 26.0635 10.9562 54.2898 TIMING: 375400 CPU: 1110.38, 0.00296747/step Wall: 1110.38, 0.00296747/step, 3.81205 hours remaining, 203.078125 MB of memory in use. ENERGY: 375400 756.9372 2122.1418 1945.1966 122.0476 -206277.2832 17869.1279 0.0000 0.0000 34211.2741 -149250.5579 298.7756 -183461.8320 -149147.1807 299.7381 -53.3397 -22.1438 557442.3570 2.0932 2.1576 PRESSURE: 375600 -109.001 -101.832 -80.8369 -101.834 -63.1136 2.57834 -80.8378 2.57916 -88.8404 GPRESSURE: 375600 -147.95 -116.175 -56.6558 -23.7324 -4.58362 -4.40252 -128.676 49.2359 -10.4102 PRESSAVG: 375600 1.7565 -0.572294 -12.6173 -0.572244 25.3637 -33.8848 -12.6172 -33.8848 -9.89159 GPRESSAVG: 375600 0.866506 -0.646427 -9.94332 -0.85524 26.2947 -36.2012 -16.0719 -32.4668 -10.074 TIMING: 375600 CPU: 1110.97, 0.00294023/step Wall: 1110.97, 0.00294023/step, 3.7769 hours remaining, 203.078125 MB of memory in use. ENERGY: 375600 768.0637 2082.3642 1964.2699 109.9344 -206046.9245 17785.2522 0.0000 0.0000 34093.5643 -149243.4758 297.7476 -183337.0401 -149142.5475 298.9952 -86.9850 -54.3146 557775.7787 5.7429 5.6957 PRESSURE: 375800 -240.455 -23.1677 238.846 -23.1675 -316.632 23.8694 238.846 23.8685 -192.658 GPRESSURE: 375800 -192.035 -59.9201 178.894 -119.126 -319.176 24.5341 262.313 90.1191 -136.92 PRESSAVG: 375800 -2.25282 -17.9014 -15.082 -17.9015 -14.158 -25.1179 -15.082 -25.1178 22.7357 GPRESSAVG: 375800 -2.07097 -19.6307 -18.6494 -17.4736 -14.4006 -23.1444 -12.0768 -24.9882 23.1885 TIMING: 375800 CPU: 1111.56, 0.00295986/step Wall: 1111.56, 0.00295986/step, 3.80194 hours remaining, 203.078125 MB of memory in use. ENERGY: 375800 774.2503 2086.0358 1933.4007 105.8389 -205817.1696 17517.4287 0.0000 0.0000 34196.3576 -149203.8576 298.6453 -183400.2152 -149101.5529 299.0703 -249.9150 -216.0436 559456.9258 2.1083 2.2390 PRESSURE: 376000 -14.3521 -96.7541 41.3303 -96.7559 -151.618 -21.729 41.3294 -21.7293 -75.8062 GPRESSURE: 376000 38.9884 -124.152 74.6534 -55.5588 -106.359 -31.724 52.478 4.57961 -75.7093 PRESSAVG: 376000 -11.3157 -34.761 10.8593 -34.7611 10.0743 40.7155 10.8593 40.7155 -18.0657 GPRESSAVG: 376000 -11.3473 -33.9848 11.5113 -33.1779 10.2728 40.3418 10.5555 37.0233 -18.9397 TIMING: 376000 CPU: 1112.15, 0.00296977/step Wall: 1112.15, 0.00296977/step, 3.8145 hours remaining, 203.078125 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: 376000 736.9379 2135.9821 1945.8063 105.5342 -206204.9770 17802.3237 0.0000 0.0000 34100.4339 -149377.9588 297.8076 -183478.3927 -149281.5735 298.8840 -80.5922 -47.6931 558471.5738 -6.4357 -6.6714 PRESSURE: 376200 -71.4623 8.10193 -21.9355 8.10142 11.0036 -32.8345 -21.9363 -32.8353 -311.961 GPRESSURE: 376200 -20.7771 -10.2956 -65.5392 4.13507 26.6777 -139.829 -106.227 63.4979 -296.864 PRESSAVG: 376200 19.6102 23.6279 -31.2986 23.6278 -17.4591 27.7689 -31.2988 27.7689 5.51988 GPRESSAVG: 376200 20.5069 23.9589 -29.8104 20.9455 -18.9515 26.128 -32.7639 30.1049 5.6663 TIMING: 376200 CPU: 1112.74, 0.00296215/step Wall: 1112.74, 0.00296215/step, 3.80455 hours remaining, 203.078125 MB of memory in use. ENERGY: 376200 700.9905 2135.0795 1940.4204 106.0294 -205911.5396 17454.5237 0.0000 0.0000 34228.1838 -149346.3124 298.9232 -183574.4962 -149246.1756 298.8282 -124.1398 -96.9880 556711.5199 2.5570 2.4072 LDB: ============= START OF LOAD BALANCING ============== 1116.17 LDB: ============== END OF LOAD BALANCING =============== 1116.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1116.17 LDB: ============= START OF LOAD BALANCING ============== 1116.47 LDB: Largest compute 4848 load 0.031529 is 26.8% of average load 0.117782 LDB: Average compute 0.001734 is 1.5% of average load 0.117782 LDB: TIME 1116.47 LOAD: AVG 0.117782 MAX 0.199717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.242 MB LDB: TIME 1116.47 LOAD: AVG 0.117782 MAX 0.199717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.246 MB LDB: TIME 1116.47 LOAD: AVG 0.117782 MAX 0.199717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.246 MB LDB: ============== END OF LOAD BALANCING =============== 1116.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1116.48 PRESSURE: 376400 42.3989 80.7835 -44.4779 80.7832 -195.948 44.43 -44.4762 44.4293 -47.3966 GPRESSURE: 376400 132.581 57.7183 -2.45736 25.9379 -148.631 50.0596 -52.1011 58.2973 -88.8106 PRESSAVG: 376400 6.55271 -18.6033 -51.5928 -18.6033 -41.1115 -39.1902 -51.5929 -39.1903 4.94063 GPRESSAVG: 376400 6.5521 -17.1519 -53.2578 -19.9073 -41.5469 -37.5902 -50.505 -37.6506 5.14513 TIMING: 376400 CPU: 1113.35, 0.00302015/step Wall: 1113.35, 0.00302015/step, 3.87887 hours remaining, 203.925781 MB of memory in use. ENERGY: 376400 743.0464 2072.6548 1936.0554 101.9215 -206523.9247 17947.4862 0.0000 0.0000 34345.7140 -149377.0463 299.9497 -183722.7603 -149271.4767 298.3428 -66.9818 -34.9536 558349.9460 -9.8727 -9.9499 PRESSURE: 376600 2.78454 117.756 23.2315 117.755 -71.2923 -138.573 23.2308 -138.574 56.502 GPRESSURE: 376600 91.6807 151.334 5.69016 80.9378 -101.078 -136.358 18.6371 -126.56 83.0382 PRESSAVG: 376600 -63.5806 -24.6841 -4.83567 -24.6841 42.5674 14.3343 -4.83567 14.3342 20.5158 GPRESSAVG: 376600 -63.6232 -26.0844 -4.73094 -23.2824 43.4431 14.3132 -6.40719 11.2969 19.2343 TIMING: 376600 CPU: 1113.94, 0.0029712/step Wall: 1113.94, 0.0029712/step, 3.81584 hours remaining, 204.125000 MB of memory in use. ENERGY: 376600 735.3082 2063.0009 1950.3357 118.3452 -206096.4436 17743.0941 0.0000 0.0000 34063.8837 -149422.4759 297.4884 -183486.3595 -149334.2415 298.0770 -4.0019 24.5469 557493.7409 -0.1658 -0.3153 PRESSURE: 376800 -241.024 -12.3871 -37.1104 -12.3869 -28.9733 97.584 -37.1107 97.5846 4.94362 GPRESSURE: 376800 -198.229 -23.6622 38.9087 3.2126 15.7488 104.114 -59.9092 188.682 -10.486 PRESSAVG: 376800 -28.4147 -27.4654 3.55706 -27.4655 28.9489 -0.149017 3.55719 -0.14912 6.3718 GPRESSAVG: 376800 -27.7198 -27.464 4.55616 -27.3918 27.8296 -0.167908 5.62421 1.32826 6.68796 TIMING: 376800 CPU: 1114.54, 0.0030003/step Wall: 1114.54, 0.0030003/step, 3.85306 hours remaining, 204.125000 MB of memory in use. ENERGY: 376800 738.6284 2101.0775 1944.5269 102.5923 -205949.4659 17588.5341 0.0000 0.0000 34134.4069 -149339.6999 298.1043 -183474.1068 -149243.4228 298.9253 -88.3513 -64.3222 557665.5300 2.3020 2.2659 PRESSURE: 377000 27.0631 5.71984 -98.6679 5.71944 -74.4968 -153.609 -98.6689 -153.61 -90.9986 GPRESSURE: 377000 83.5714 -21.1226 -57.5085 -17.1947 -128.951 -98.2994 -92.9128 -132.045 -2.52816 PRESSAVG: 377000 -45.4729 -17.9013 25.6864 -17.9012 -24.4549 41.3116 25.6865 41.3116 95.3299 GPRESSAVG: 377000 -45.9956 -17.8383 26.587 -15.7997 -24.4056 41.1024 23.9035 42.0211 95.8241 TIMING: 377000 CPU: 1115.13, 0.00296216/step Wall: 1115.13, 0.00296216/step, 3.8039 hours remaining, 204.125000 MB of memory in use. ENERGY: 377000 736.8873 2080.2823 1947.8839 106.8957 -206569.2156 17958.5309 0.0000 0.0000 34329.5920 -149409.1435 299.8089 -183738.7355 -149305.0888 299.1386 -46.1441 -15.9693 557684.5602 8.4673 8.4743 PRESSURE: 377200 103.933 -176.18 -120.137 -176.181 -99.6935 -121.528 -120.137 -121.527 73.8824 GPRESSURE: 377200 145.335 -186.003 -81.5531 -229.337 -65.7791 -78.1201 -92.0063 -93.6435 80.037 PRESSAVG: 377200 33.7506 -3.48409 19.1245 -3.48404 -39.1141 -14.2206 19.1245 -14.2207 19.2507 GPRESSAVG: 377200 33.5444 -3.38754 19.5438 -4.1833 -38.1906 -13.1824 19.2122 -13.764 18.7603 TIMING: 377200 CPU: 1115.73, 0.00296941/step Wall: 1115.73, 0.00296941/step, 3.81306 hours remaining, 204.125000 MB of memory in use. ENERGY: 377200 788.5964 2079.8818 1939.3957 108.3525 -206490.7637 18015.8224 0.0000 0.0000 34135.9101 -149422.8048 298.1174 -183558.7149 -149332.1837 299.0145 26.0405 53.1975 557892.8620 4.6291 4.7047 PRESSURE: 377400 -108.986 -110.271 -38.0758 -110.27 41.7628 15.5365 -38.0762 15.5383 148.042 GPRESSURE: 377400 -76.1563 -63.6244 -32.4157 -118.357 71.0145 16.8092 -33.1262 -50.6082 154.191 PRESSAVG: 377400 -23.8241 -57.7264 -0.94803 -57.7264 32.3408 -38.9058 -0.947989 -38.9058 9.95173 GPRESSAVG: 377400 -23.7767 -57.8454 -1.63551 -57.2595 30.9368 -40.0327 -1.69566 -40.7258 11.2213 TIMING: 377400 CPU: 1116.32, 0.00297983/step Wall: 1116.32, 0.00297983/step, 3.82626 hours remaining, 204.125000 MB of memory in use. ENERGY: 377400 722.4268 2101.2983 1934.2507 109.0115 -206173.3267 17902.4770 0.0000 0.0000 34101.6616 -149302.2008 297.8183 -183403.8624 -149200.8229 299.2674 26.9394 49.6830 557521.6707 6.1561 6.1271 PRESSURE: 377600 147.183 1.33923 69.2168 1.33996 -90.5383 -7.41861 69.2164 -7.41839 219.002 GPRESSURE: 377600 229.15 -34.1233 23.1212 -43.4223 -92.4299 -12.8706 104.398 -4.41058 240.432 PRESSAVG: 377600 -38.553 -20.3617 52.6443 -20.3616 9.82142 -8.89222 52.6443 -8.8922 7.31312 GPRESSAVG: 377600 -38.7279 -20.6738 51.132 -20.9756 9.89986 -8.37638 53.701 -8.59846 7.43394 TIMING: 377600 CPU: 1116.92, 0.0029757/step Wall: 1116.92, 0.0029757/step, 3.8208 hours remaining, 204.382812 MB of memory in use. ENERGY: 377600 742.3937 2090.3260 1960.8663 111.3685 -206445.4961 17924.7279 0.0000 0.0000 34317.4261 -149298.3876 299.7026 -183615.8138 -149199.1435 298.9635 91.8823 125.7172 557541.1433 -7.1395 -7.1314 PRESSURE: 377800 -105.735 -93.0834 110.042 -93.082 11.2333 83.9697 110.042 83.9694 -126.12 GPRESSURE: 377800 -98.3626 -109.116 29.7385 -98.4467 81.4774 -8.6027 102.943 90.0263 -93.5619 PRESSAVG: 377800 -39.1898 4.41427 -1.15901 4.41423 -3.06843 -28.4087 -1.159 -28.4088 33.6194 GPRESSAVG: 377800 -39.9173 3.81681 -0.344182 3.12126 -2.89907 -30.2332 -2.57203 -29.2572 33.9358 TIMING: 377800 CPU: 1117.52, 0.00298564/step Wall: 1117.52, 0.00298564/step, 3.8334 hours remaining, 204.382812 MB of memory in use. ENERGY: 377800 754.2724 2063.0783 1960.8868 119.6718 -206276.8602 17933.4281 0.0000 0.0000 33982.1888 -149463.3340 296.7749 -183445.5228 -149364.1056 298.1615 -73.5406 -36.8157 559535.5400 -2.8796 -2.9602 PRESSURE: 378000 -419.936 8.1112 40.852 8.11161 -173.442 -113.943 40.8534 -113.944 -221.01 GPRESSURE: 378000 -424.707 23.7747 18.1189 -64.5563 -152.563 -125.131 108.7 -66.1689 -149.938 PRESSAVG: 378000 -15.6155 -9.41395 36.3627 -9.41391 39.8993 -37.6417 36.3627 -37.6417 -9.79396 GPRESSAVG: 378000 -15.6104 -7.57727 37.6939 -9.89045 40.7134 -35.9935 35.3569 -35.618 -9.97711 TIMING: 378000 CPU: 1118.11, 0.00297198/step Wall: 1118.11, 0.00297198/step, 3.81569 hours remaining, 204.382812 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: 378000 792.7031 2099.1845 1964.7416 116.6686 -205823.8342 17426.5126 0.0000 0.0000 34104.1250 -149319.8987 297.8398 -183424.0237 -149227.2511 299.2575 -271.4625 -242.4027 559420.7991 4.8299 5.0420 PRESSURE: 378200 -182.321 100.783 -31.9826 100.783 -95.3822 -51.0914 -31.9831 -51.0917 -59.4764 GPRESSURE: 378200 -81.0134 100.976 -22.9407 141.846 -141.997 -131.489 1.80737 16.0161 -13.225 PRESSAVG: 378200 42.4297 14.6039 28.4308 14.6039 -70.9213 -13.1552 28.4308 -13.1552 -3.82698 GPRESSAVG: 378200 41.9977 13.2913 25.9249 17.0956 -69.2378 -14.1373 31.1912 -13.2908 -4.38402 TIMING: 378200 CPU: 1118.7, 0.00294891/step Wall: 1118.7, 0.00294891/step, 3.7859 hours remaining, 204.382812 MB of memory in use. ENERGY: 378200 749.0563 2064.3087 1934.5483 116.4558 -206206.7886 17842.5207 0.0000 0.0000 34266.3423 -149233.5566 299.2565 -183499.8989 -149134.9544 298.8300 -112.3931 -78.7452 559534.3410 -10.7728 -10.5414 PRESSURE: 378400 14.4744 -1.20571 132.414 -1.20399 -155.885 12.4933 132.414 12.4933 -74.8118 GPRESSURE: 378400 69.4724 46.8564 137.424 35.2498 -92.848 -47.4614 126.206 125.415 -95.7206 PRESSAVG: 378400 -12.0662 21.8349 -3.83446 21.8349 14.4938 -53.4755 -3.83443 -53.4755 -5.9921 GPRESSAVG: 378400 -9.9639 21.8829 -3.71961 20.0138 11.9884 -54.7696 -6.06675 -53.4742 -5.43487 TIMING: 378400 CPU: 1119.29, 0.0029681/step Wall: 1119.29, 0.00296811/step, 3.81039 hours remaining, 204.382812 MB of memory in use. ENERGY: 378400 747.6240 2093.2045 1925.5032 111.6733 -206195.2188 17693.3584 0.0000 0.0000 34380.1294 -149243.7261 300.2502 -183623.8554 -149149.0809 299.6836 -72.0741 -39.6987 557857.8950 -1.1881 -1.1368 PRESSURE: 378600 65.8969 -67.613 -80.8352 -67.6144 322.093 -146.243 -80.835 -146.241 229.798 GPRESSURE: 378600 91.8474 -26.0302 -83.4662 -25.0444 332.199 -122.415 -101.979 -135.85 281.27 PRESSAVG: 378600 -15.1941 -12.5905 -29.5797 -12.5905 -31.795 -13.9956 -29.5795 -13.9956 64.6193 GPRESSAVG: 378600 -15.6524 -12.7597 -31.1257 -11.0506 -29.6294 -12.7027 -27.9592 -12.9152 63.6837 TIMING: 378600 CPU: 1119.88, 0.00294682/step Wall: 1119.88, 0.00294682/step, 3.7829 hours remaining, 204.382812 MB of memory in use. ENERGY: 378600 739.4381 2109.0669 1954.6724 115.3922 -206565.3970 18063.2546 0.0000 0.0000 34336.3335 -149247.2393 299.8677 -183583.5728 -149149.8769 298.9524 205.9294 235.1054 557414.4754 5.8767 6.1340 PRESSURE: 378800 102.982 64.2302 64.5921 64.229 500.914 165.151 64.5924 165.153 117.337 GPRESSURE: 378800 85.5194 18.0291 -13.1018 83.599 559.335 192.28 98.1308 175.095 171.526 PRESSAVG: 378800 -24.38 17.8787 11.0305 17.8787 38.3641 -4.25303 11.0305 -4.25296 34.9819 GPRESSAVG: 378800 -25.4096 17.8695 13.2381 17.0849 38.1061 -4.79029 10.0681 -4.86455 36.2808 TIMING: 378800 CPU: 1120.47, 0.00294056/step Wall: 1120.47, 0.00294056/step, 3.7747 hours remaining, 204.382812 MB of memory in use. ENERGY: 378800 717.6122 2145.3377 1943.5439 109.8525 -206449.6074 18045.3656 0.0000 0.0000 34216.8819 -149271.0137 298.8245 -183487.8956 -149170.7496 298.4858 240.4106 272.1267 557834.8795 16.3220 16.3257 PRESSURE: 379000 -236.106 89.9661 -10.5941 89.9664 45.4243 43.3155 -10.5934 43.3142 42.0104 GPRESSURE: 379000 -185.523 109.622 25.6684 82.2825 111.066 56.4859 7.36981 126.179 34.7694 PRESSAVG: 379000 -44.6753 -30.8425 18.1287 -30.8424 11.564 -23.0036 18.1286 -23.0036 72.6505 GPRESSAVG: 379000 -44.1513 -29.6175 17.1264 -31.6127 12.6667 -23.6497 17.2607 -23.3087 71.1044 TIMING: 379000 CPU: 1121.06, 0.00294172/step Wall: 1121.06, 0.00294172/step, 3.77602 hours remaining, 204.382812 MB of memory in use. ENERGY: 379000 752.6331 2059.7681 1945.4994 125.9849 -206179.1751 17791.7262 0.0000 0.0000 34134.2788 -149369.2847 298.1031 -183503.5635 -149275.6297 298.5796 -49.5570 -13.2292 558476.5774 13.1797 13.2066 PRESSURE: 379200 -146.925 -67.6605 -8.9798 -67.6608 -38.9429 -43.2865 -8.97947 -43.2862 -319.199 GPRESSURE: 379200 -164.495 -66.3062 75.6204 -77.0643 14.252 16.5273 -140.846 -65.6622 -270.804 PRESSAVG: 379200 -23.2495 -11.0037 -6.82988 -11.0036 -28.4594 -38.1346 -6.82997 -38.1347 25.5803 GPRESSAVG: 379200 -22.7243 -11.5276 -4.54497 -10.3867 -30.6293 -36.941 -7.33473 -39.5282 26.4611 TIMING: 379200 CPU: 1121.65, 0.00294236/step Wall: 1121.65, 0.00294236/step, 3.77669 hours remaining, 204.382812 MB of memory in use. ENERGY: 379200 733.4840 2096.2226 1941.2965 108.6007 -205887.3607 17663.4752 0.0000 0.0000 34071.8757 -149272.4059 297.5582 -183344.2817 -149182.2768 298.2207 -168.3558 -140.3491 559788.3478 -8.7095 -8.9642 PRESSURE: 379400 -76.8695 -81.3297 -112.453 -81.3313 248.781 90.2368 -112.452 90.2366 -108.655 GPRESSURE: 379400 -39.9793 -132.114 -113.441 -35.0512 231.997 160.906 -76.9562 36.1889 -39.3529 PRESSAVG: 379400 46.5862 -46.983 -18.9156 -46.983 58.9364 -34.1934 -18.9156 -34.1934 -54.4546 GPRESSAVG: 379400 47.2887 -46.6812 -21.413 -47.0689 59.3399 -33.6156 -16.8527 -33.1439 -55.0271 TIMING: 379400 CPU: 1122.23, 0.0029208/step Wall: 1122.23, 0.0029208/step, 3.74885 hours remaining, 204.382812 MB of memory in use. ENERGY: 379400 751.3486 2074.1234 1944.3053 130.7204 -206011.7961 17791.3815 0.0000 0.0000 34199.0305 -149120.8864 298.6686 -183319.9169 -149023.6439 299.1907 21.0853 50.8883 557987.8594 17.0227 17.2005 PRESSURE: 379600 -418.963 59.0853 61.8209 59.0862 67.4425 75.2278 61.8201 75.2275 32.382 GPRESSURE: 379600 -389.893 121.929 -4.55175 -13.9284 151.735 46.6822 121.2 99.3528 23.5464 PRESSAVG: 379600 -14.8622 -37.3807 13.2098 -37.3807 16.0213 -27.7148 13.2098 -27.7148 -11.8069 GPRESSAVG: 379600 -14.7106 -37.9895 13.2656 -36.4179 14.773 -27.8105 11.6037 -28.7804 -10.9794 TIMING: 379600 CPU: 1122.82, 0.00295155/step Wall: 1122.82, 0.00295155/step, 3.78814 hours remaining, 204.382812 MB of memory in use. ENERGY: 379600 748.5655 2091.8219 1929.2694 130.1848 -206277.4187 17853.3381 0.0000 0.0000 34524.0387 -149000.2001 301.5070 -183524.2388 -148909.3849 299.2042 -106.3795 -71.5372 559612.6467 -3.5493 -3.6390 PRESSURE: 379800 86.1478 101.161 -172.594 101.16 -168.75 46.5063 -172.595 46.5075 -36.3807 GPRESSURE: 379800 80.7594 86.2159 -168.779 105.4 -93.8416 74.5209 -214.979 -45.6247 -2.56974 PRESSAVG: 379800 3.18974 7.6541 -56.4244 7.65413 -8.29065 24.7945 -56.4244 24.7946 -12.9601 GPRESSAVG: 379800 2.46574 7.04941 -55.6259 7.77483 -7.2723 24.0581 -56.5249 24.8624 -13.1332 TIMING: 379800 CPU: 1123.41, 0.00293723/step Wall: 1123.41, 0.00293723/step, 3.76961 hours remaining, 204.382812 MB of memory in use. ENERGY: 379800 718.6633 2103.4079 1948.3946 125.8503 -206042.5899 17967.2550 0.0000 0.0000 34195.0361 -148983.9829 298.6338 -183179.0189 -148886.8226 299.9136 -39.6609 -5.2173 560164.9731 -6.0203 -5.9799 PRESSURE: 380000 -201.686 13.4666 -37.7799 13.4663 -354.631 -124.451 -37.7792 -124.453 -226.792 GPRESSURE: 380000 -158.856 17.3459 -77.2995 40.2125 -278.258 -81.1193 -37.9603 -115.058 -256.896 PRESSAVG: 380000 5.36715 -7.97707 -17.6232 -7.97698 4.02354 -2.0165 -17.6232 -2.01654 23.3342 GPRESSAVG: 380000 5.37265 -9.20831 -16.4732 -8.1941 4.19117 -4.13651 -18.3339 0.559102 23.5017 TIMING: 380000 CPU: 1124, 0.00296815/step Wall: 1124, 0.00296815/step, 3.80912 hours remaining, 204.382812 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: 380000 782.8952 2095.9157 1954.0710 110.0496 -205835.1297 17479.6672 0.0000 0.0000 34475.4082 -148937.1228 301.0823 -183412.5310 -148844.5662 300.2665 -261.0364 -231.3365 559710.8202 10.9083 11.0219 PRESSURE: 380200 -71.6541 169.15 17.6253 169.151 -139.497 15.8614 17.6244 15.862 -462.121 GPRESSURE: 380200 -113.849 135.047 17.6803 98.4803 -69.0749 39.3384 -45.9745 -26.6583 -398.432 PRESSAVG: 380200 26.1805 -5.90551 16.6775 -5.90548 -36.7891 85.0228 16.6775 85.0227 36.8476 GPRESSAVG: 380200 25.8137 -5.93443 15.1066 -5.71966 -35.9003 87.2654 19.1694 84.8238 36.6128 TIMING: 380200 CPU: 1124.6, 0.00295792/step Wall: 1124.6, 0.00295792/step, 3.79583 hours remaining, 204.382812 MB of memory in use. ENERGY: 380200 737.7836 2057.4155 1942.4819 121.5691 -205648.4176 17520.5164 0.0000 0.0000 34133.1768 -149135.4743 298.0935 -183268.6511 -149043.0419 299.0261 -224.4239 -193.7854 559724.9466 8.7463 8.8421 LDB: ============= START OF LOAD BALANCING ============== 1128.02 LDB: ============== END OF LOAD BALANCING =============== 1128.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1128.02 LDB: ============= START OF LOAD BALANCING ============== 1128.32 LDB: Largest compute 4848 load 0.031775 is 27.0% of average load 0.117762 LDB: Average compute 0.001736 is 1.5% of average load 0.117762 LDB: TIME 1128.32 LOAD: AVG 0.117762 MAX 0.197731 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.266 MB LDB: TIME 1128.32 LOAD: AVG 0.117762 MAX 0.197731 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.266 MB LDB: TIME 1128.32 LOAD: AVG 0.117762 MAX 0.197731 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1128.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1128.33 PRESSURE: 380400 187.283 -1.54326 8.42941 -1.54271 147.045 13.9221 8.4296 13.9209 -139.907 GPRESSURE: 380400 219.836 107.596 18.0451 -83.7827 232.457 32.5405 -30.8095 16.8153 -154.623 PRESSAVG: 380400 56.9039 -12.7032 35.3833 -12.7033 -0.00240723 15.1448 35.3833 15.1447 42.477 GPRESSAVG: 380400 56.049 -10.6875 36.8208 -14.5452 0.255886 14.9025 34.3519 14.959 43.1912 TIMING: 380400 CPU: 1125.2, 0.00302407/step Wall: 1125.2, 0.00302407/step, 3.88056 hours remaining, 203.574219 MB of memory in use. ENERGY: 380400 752.7621 2068.6029 1976.1902 118.3088 -206246.3369 18036.8394 0.0000 0.0000 34217.5574 -149076.0761 298.8304 -183293.6335 -148988.1322 299.3516 64.8070 99.2232 557505.5179 33.1262 33.1654 PRESSURE: 380600 -41.0833 -79.9546 -46.6624 -79.9537 -121.448 198.12 -46.6625 198.12 61.4277 GPRESSURE: 380600 6.67986 14.3286 -56.1806 -165.536 -77.7338 208.345 -11.6388 138.638 72.858 PRESSAVG: 380600 57.6322 -59.585 31.7359 -59.585 -59.5508 21.7759 31.7358 21.7758 -3.41767 GPRESSAVG: 380600 58.9572 -60.3287 31.1689 -57.4672 -61.4017 22.0604 32.6339 19.4407 -3.04993 TIMING: 380600 CPU: 1125.79, 0.00295922/step Wall: 1125.79, 0.00295922/step, 3.79717 hours remaining, 203.574219 MB of memory in use. ENERGY: 380600 755.8612 2099.6515 1934.8322 100.9435 -205966.9095 17715.2133 0.0000 0.0000 34235.3930 -149125.0147 298.9862 -183360.4077 -149020.4313 299.3344 -33.7012 0.6013 557786.3139 -1.7788 -1.8315 PRESSURE: 380800 -100.769 181.199 75.7559 181.199 -146.977 -68.8612 75.7568 -68.8628 182.011 GPRESSURE: 380800 7.39266 155.233 46.4262 161.543 -191.428 -18.1053 57.0763 -62.113 204.439 PRESSAVG: 380800 12.5079 -35.7561 41.8959 -35.7562 -47.4767 2.05518 41.8959 2.0552 48.1758 GPRESSAVG: 380800 12.8956 -36.4878 40.0786 -37.0999 -47.8285 1.83838 40.9021 4.30869 48.1076 TIMING: 380800 CPU: 1126.38, 0.0029509/step Wall: 1126.38, 0.00295091/step, 3.78634 hours remaining, 203.695312 MB of memory in use. ENERGY: 380800 740.8374 2036.5421 1962.8704 112.9068 -206034.0104 17877.7810 0.0000 0.0000 34292.9095 -149010.1632 299.4885 -183303.0727 -148911.7953 299.7350 -21.9117 6.8014 558245.0047 4.4024 4.3915 PRESSURE: 381000 146.794 57.4387 35.9396 57.4406 -85.6428 38.7967 35.9396 38.797 -37.9071 GPRESSURE: 381000 152.074 136.7 49.7028 89.2591 -8.72188 24.9055 15.9711 97.6101 -27.6354 PRESSAVG: 381000 6.62304 12.1093 24.9133 12.1093 -44.0685 56.3513 24.9133 56.3513 66.392 GPRESSAVG: 381000 6.54396 12.1159 27.7138 13.3146 -42.7054 56.2831 23.7981 53.396 65.5859 TIMING: 381000 CPU: 1126.97, 0.0029507/step Wall: 1126.97, 0.0029507/step, 3.78591 hours remaining, 203.695312 MB of memory in use. ENERGY: 381000 774.7148 2024.7114 1926.9666 118.9756 -206256.3041 17919.8763 0.0000 0.0000 34420.5698 -149070.4895 300.6034 -183491.0593 -148978.3708 299.2878 7.7479 38.5723 557877.8952 9.6488 9.8082 PRESSURE: 381200 -244.24 58.4066 -36.0656 58.406 -81.1923 -103.977 -36.0661 -103.976 -127.819 GPRESSURE: 381200 -210.128 22.9474 -75.0255 21.041 -50.3842 -65.9635 -53.4417 -103.655 -85.6771 PRESSAVG: 381200 -23.2846 59.9032 -11.8382 59.9032 -5.40359 45.6228 -11.8382 45.6229 37.3438 GPRESSAVG: 381200 -22.0877 58.9141 -10.4 59.5066 -5.48476 47.6395 -12.0828 47.7318 36.2009 TIMING: 381200 CPU: 1127.56, 0.00293561/step Wall: 1127.56, 0.00293561/step, 3.76639 hours remaining, 203.695312 MB of memory in use. ENERGY: 381200 763.8227 2132.1800 1963.7163 113.2129 -206073.4972 17645.7748 0.0000 0.0000 34222.0136 -149232.7769 298.8694 -183454.7905 -149136.0081 298.6428 -151.0841 -115.3964 557032.3204 2.8852 2.8761 PRESSURE: 381400 -171.668 19.4979 36.7238 19.4988 98.2376 45.5837 36.7247 45.5829 36.9146 GPRESSURE: 381400 -100.471 34.2775 12.8231 42.88 130.628 43.6978 12.7026 23.7831 32.5178 PRESSAVG: 381400 27.9923 9.19187 11.8403 9.19185 -29.4993 15.6622 11.8403 15.662 -5.01186 GPRESSAVG: 381400 26.2938 11.8876 8.49225 6.05396 -29.7727 14.5384 12.5846 15.3915 -3.39012 TIMING: 381400 CPU: 1128.15, 0.00295248/step Wall: 1128.15, 0.00295248/step, 3.78787 hours remaining, 203.695312 MB of memory in use. ENERGY: 381400 749.7502 2077.8560 1961.4274 123.8704 -206425.3893 17737.5391 0.0000 0.0000 34314.0176 -149460.9286 299.6729 -183774.9462 -149365.2579 298.3922 -12.1721 20.8915 555811.2316 -2.1729 -2.2896 PRESSURE: 381600 130.566 -64.3101 27.771 -64.3096 -173.443 -14.4143 27.7705 -14.4137 -1.99459 GPRESSURE: 381600 168.138 -137.126 13.7042 -42.2496 -153.784 52.7753 53.3025 5.37197 22.1902 PRESSAVG: 381600 4.42218 -21.5974 15.6527 -21.5974 -48.1054 -19.3569 15.6529 -19.3569 20.4694 GPRESSAVG: 381600 3.70372 -23.2738 16.3239 -19.461 -48.0877 -19.9091 16.3013 -19.1939 21.1405 TIMING: 381600 CPU: 1128.74, 0.00293717/step Wall: 1128.74, 0.00293717/step, 3.76807 hours remaining, 203.695312 MB of memory in use. ENERGY: 381600 767.7214 2113.7816 1924.1012 108.3717 -206199.0773 17713.3661 0.0000 0.0000 34066.7867 -149504.9485 297.5137 -183571.7352 -149403.3579 298.6254 -14.9573 12.1812 556119.0435 -7.7379 -7.7478 PRESSURE: 381800 13.3888 -16.194 54.7112 -16.1938 -164.981 -136.023 54.7112 -136.025 108.389 GPRESSURE: 381800 -8.66228 -28.0443 74.7157 1.70466 -77.5712 -187.612 93.1734 -95.5014 147.968 PRESSAVG: 381800 -4.38893 -6.98528 -12.0087 -6.98528 -13.6138 -15.4514 -12.0087 -15.4515 17.9364 GPRESSAVG: 381800 -3.64735 -7.30142 -11.4417 -7.65326 -13.5888 -15.0733 -10.7954 -15.5378 17.0755 TIMING: 381800 CPU: 1129.33, 0.00296227/step Wall: 1129.33, 0.00296227/step, 3.8001 hours remaining, 203.695312 MB of memory in use. ENERGY: 381800 736.1409 2127.6687 1925.8801 120.3007 -206490.2658 17846.3986 0.0000 0.0000 34257.0752 -149476.8017 299.1756 -183733.8769 -149378.2997 298.3977 -14.4012 20.5781 556751.9013 -0.0221 -0.0535 PRESSURE: 382000 195.805 -21.3901 -53.2776 -21.3898 -23.4965 -8.06283 -53.2783 -8.06277 7.36672 GPRESSURE: 382000 215.32 -50.1612 13.9983 54.7778 -3.02226 63.0691 10.825 -63.2379 64.9359 PRESSAVG: 382000 -50.5237 -13.9803 44.7287 -13.9802 -21.3824 -2.91742 44.7286 -2.91763 51.2287 GPRESSAVG: 382000 -50.5424 -13.1391 43.7104 -12.6183 -20.9837 -1.07392 44.6457 -5.19358 50.9635 TIMING: 382000 CPU: 1129.92, 0.00296529/step Wall: 1129.92, 0.00296529/step, 3.80381 hours remaining, 203.695312 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: 382000 747.7950 1989.2178 1939.8307 116.1144 -206175.8782 17836.0506 0.0000 0.0000 34113.4874 -149433.3823 297.9216 -183546.8697 -149341.0719 298.7247 59.8919 92.4112 557619.4918 -6.8924 -6.8542 PRESSURE: 382200 8.56711 104.569 72.0832 104.569 74.7419 -17.3997 72.0838 -17.4003 -214.362 GPRESSURE: 382200 12.549 27.899 69.5297 166.819 105.966 -3.43912 79.0119 32.5018 -160.331 PRESSAVG: 382200 23.6279 4.77923 -27.6687 4.77915 36.1728 18.9358 -27.6687 18.9358 -34.7421 GPRESSAVG: 382200 23.7921 4.52938 -27.2938 4.55617 35.6506 17.6018 -29.1122 19.325 -34.9405 TIMING: 382200 CPU: 1130.51, 0.0029496/step Wall: 1130.51, 0.0029496/step, 3.78352 hours remaining, 203.695312 MB of memory in use. ENERGY: 382200 735.7986 2122.6857 1948.7272 106.3012 -206242.8144 17694.3934 0.0000 0.0000 34352.7848 -149282.1235 300.0114 -183634.9083 -149176.2520 299.3425 -43.6844 -13.9384 556616.6951 8.3529 8.1674 PRESSURE: 382400 -53.635 109.504 65.821 109.504 -84.9282 21.6871 65.8202 21.6887 198.33 GPRESSURE: 382400 18.6557 89.7861 105.606 137.96 -49.6697 23.7524 -2.42453 -51.3357 182.227 PRESSAVG: 382400 -19.5707 18.745 36.6583 18.7451 -28.1284 -36.1621 36.6582 -36.1621 75.5004 GPRESSAVG: 382400 -18.9492 19.0046 38.8783 20.0299 -27.2296 -35.4922 35.6962 -36.8196 74.5495 TIMING: 382400 CPU: 1131.1, 0.00295783/step Wall: 1131.1, 0.00295783/step, 3.79391 hours remaining, 203.695312 MB of memory in use. ENERGY: 382400 770.1916 2097.6764 1937.3012 103.1561 -206581.6192 18046.5774 0.0000 0.0000 34110.6782 -149516.0383 297.8970 -183626.7165 -149419.8471 299.4631 19.9224 50.4044 556962.5377 9.2671 9.4569 PRESSURE: 382600 14.4132 -82.1623 -69.5982 -82.1618 8.89634 -36.1333 -69.5987 -36.1344 201.101 GPRESSURE: 382600 31.9931 -34.0891 -99.5581 -90.1537 66.9648 -63.3136 -10.8154 4.15054 231 PRESSAVG: 382600 -35.4952 -32.603 -6.61599 -32.6029 -21.6295 -5.48673 -6.61601 -5.48679 74.0383 GPRESSAVG: 382600 -37.6387 -31.7346 -9.27996 -33.7561 -21.2642 -7.60056 -5.01584 -3.5427 75.5705 TIMING: 382600 CPU: 1131.7, 0.00295515/step Wall: 1131.7, 0.00295515/step, 3.79031 hours remaining, 203.695312 MB of memory in use. ENERGY: 382600 758.7601 2085.1708 1933.5002 111.9319 -206940.8251 18233.5209 0.0000 0.0000 34244.1519 -149573.7893 299.0627 -183817.9412 -149479.5328 298.2827 74.8036 109.9860 557323.9773 5.6379 5.5559 PRESSURE: 382800 -241.483 -74.6009 103.426 -74.6014 201.824 161.419 103.427 161.418 -14.9864 GPRESSURE: 382800 -174.509 -88.4017 104.121 -20.4316 205.131 154.324 120.016 102.51 0.146565 PRESSAVG: 382800 -11.9259 -21.4307 -0.982525 -21.4306 -25.0311 50.3766 -0.982473 50.3766 41.7456 GPRESSAVG: 382800 -10.1301 -21.2468 1.5402 -22.9768 -26.4824 51.7915 -0.546124 48.6332 41.5745 TIMING: 382800 CPU: 1132.29, 0.00297109/step Wall: 1132.29, 0.00297109/step, 3.81059 hours remaining, 203.695312 MB of memory in use. ENERGY: 382800 767.9686 2075.9205 1923.8874 121.7458 -206071.9771 17667.6312 0.0000 0.0000 34097.8508 -149416.9728 297.7850 -183514.8235 -149330.3695 298.3395 -18.2151 10.2561 557267.1683 1.5962 1.6540 PRESSURE: 383000 52.0628 -57.3698 -42.5321 -57.3703 19.0162 -34.0553 -42.5314 -34.0532 105.062 GPRESSURE: 383000 107.475 -73.7691 -28.303 -99.6083 49.7678 -42.3862 28.8232 1.2396 120.519 PRESSAVG: 383000 -38.0702 1.52665 -48.4927 1.52647 38.0421 -6.34884 -48.4927 -6.34884 19.2625 GPRESSAVG: 383000 -37.4906 0.19346 -50.4636 3.01275 39.0267 -6.97123 -49.0474 -6.43363 17.9359 TIMING: 383000 CPU: 1132.88, 0.00297057/step Wall: 1132.88, 0.00297057/step, 3.80975 hours remaining, 203.695312 MB of memory in use. ENERGY: 383000 775.6123 2052.6689 1958.3950 114.0829 -206608.8815 18153.8866 0.0000 0.0000 34145.7931 -149408.4427 298.2037 -183554.2358 -149312.9267 298.6625 58.7137 92.5872 557367.4508 6.4115 6.4907 PRESSURE: 383200 55.3904 22.5945 -126.276 22.595 -184.048 53.3552 -126.276 53.3563 -73.803 GPRESSURE: 383200 109.975 33.9418 -158.966 78.6001 -128.415 76.2268 -124.159 76.5377 -83.4056 PRESSAVG: 383200 -55.8428 -23.0609 -14.8555 -23.061 4.20179 13.9216 -14.8555 13.9216 18.4897 GPRESSAVG: 383200 -57.106 -23.8635 -14.5144 -23.155 3.90961 13.005 -14.2372 17.7129 19.3832 TIMING: 383200 CPU: 1133.47, 0.002949/step Wall: 1133.47, 0.002949/step, 3.78193 hours remaining, 203.695312 MB of memory in use. ENERGY: 383200 782.4080 2011.7140 1925.2340 120.0169 -206257.9241 17820.8824 0.0000 0.0000 34169.2462 -149428.4227 298.4085 -183597.6689 -149335.3567 298.6492 -67.4870 -33.9485 557871.3617 -11.0504 -11.2711 PRESSURE: 383400 -79.7377 -63.2608 -119.791 -63.2617 102.189 -113.242 -119.791 -113.243 37.622 GPRESSURE: 383400 -0.497682 -181.841 -84.746 -42.4695 116.105 -21.4782 -112.093 -82.2086 39.3946 PRESSAVG: 383400 -20.7064 -29.1379 -20.4825 -29.1378 31.0766 39.1851 -20.4824 39.1851 13.5812 GPRESSAVG: 383400 -20.8483 -28.9702 -21.1253 -28.7131 31.495 39.544 -18.8762 37.5682 13.5785 TIMING: 383400 CPU: 1134.06, 0.0029477/step Wall: 1134.06, 0.0029477/step, 3.7801 hours remaining, 203.695312 MB of memory in use. ENERGY: 383400 779.1810 2063.7330 1930.7602 101.3057 -206527.4306 17970.7609 0.0000 0.0000 34494.5046 -149187.1851 301.2491 -183681.6897 -149080.6959 300.0632 20.0246 51.6673 556873.9152 7.9838 8.0751 PRESSURE: 383600 74.8159 167.896 6.21697 167.895 -226.545 38.96 6.21623 38.9609 305.029 GPRESSURE: 383600 92.5633 162.651 -13.9079 146.691 -188.36 -6.26941 47.5708 33.8825 325.734 PRESSAVG: 383600 37.0179 18.1297 -72.4901 18.1299 -50.2054 79.1212 -72.4902 79.1213 4.04514 GPRESSAVG: 383600 36.5079 18.7733 -71.5848 18.5472 -50.2329 79.4198 -74.7237 78.2727 4.84741 TIMING: 383600 CPU: 1134.66, 0.00295885/step Wall: 1134.66, 0.00295885/step, 3.79423 hours remaining, 203.695312 MB of memory in use. ENERGY: 383600 780.3816 2110.4150 1919.4327 108.6359 -206559.4013 18007.6146 0.0000 0.0000 34366.9913 -149265.9302 300.1355 -183632.9215 -149173.6779 299.5145 51.1001 76.6455 556820.4932 -3.0475 -2.9592 PRESSURE: 383800 -140.731 90.1884 31.7089 90.1883 -173.811 -9.69883 31.7086 -9.69833 -102.966 GPRESSURE: 383800 -123.684 101.634 -35.7485 67.5048 -76.8236 16.1953 103.033 -27.9047 -96.4404 PRESSAVG: 383800 45.896 26.0883 40.8441 26.0883 -67.1513 70.7212 40.8441 70.7213 9.73635 GPRESSAVG: 383800 47.3175 24.8322 40.3751 27.4649 -68.2256 73.5573 40.8864 69.8368 9.28291 TIMING: 383800 CPU: 1135.25, 0.00296606/step Wall: 1135.25, 0.00296606/step, 3.80331 hours remaining, 203.695312 MB of memory in use. ENERGY: 383800 791.4813 2065.0580 1916.7387 111.0880 -206317.7318 17779.5992 0.0000 0.0000 34424.0017 -149229.7649 300.6334 -183653.7666 -149136.3863 299.7105 -139.1693 -98.9826 557531.1204 -3.8397 -3.8750 PRESSURE: 384000 -61.3068 105.662 74.3443 105.662 -38.2557 -2.5415 74.3436 -2.54263 -262.235 GPRESSURE: 384000 -33.1889 84.3034 203.327 78.1791 -56.8692 38.0105 2.75562 -69.3099 -179.063 PRESSAVG: 384000 -42.7497 -3.08794 -4.95014 -3.08793 4.0404 25.0654 -4.95016 25.0653 29.616 GPRESSAVG: 384000 -43.824 -0.79202 -5.7288 -4.94602 5.4282 23.9451 -4.29805 25.7958 29.569 TIMING: 384000 CPU: 1135.84, 0.00295458/step Wall: 1135.84, 0.00295458/step, 3.78843 hours remaining, 203.695312 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: 384000 741.2437 2054.7688 1954.7340 105.4109 -206012.3669 17618.2223 0.0000 0.0000 34176.8707 -149361.1166 298.4751 -183537.9872 -149260.7621 298.7866 -120.5993 -89.7069 557221.0760 -3.0311 -2.9422 PRESSURE: 384200 -59.5152 -2.48175 43.4303 -2.48053 -40.8749 -1.85122 43.4297 -1.85146 78.4803 GPRESSURE: 384200 -4.34113 -93.5168 93.2235 0.574957 7.30231 -71.9594 42.0667 61.6135 78.2605 PRESSAVG: 384200 -34.7283 -48.6709 17.1868 -48.6709 51.996 -28.879 17.1867 -28.879 8.35182 GPRESSAVG: 384200 -35.9516 -50.268 16.4152 -49.8454 52.7095 -33.3669 15.8419 -27.1792 8.54924 TIMING: 384200 CPU: 1136.43, 0.00296428/step Wall: 1136.43, 0.00296428/step, 3.8007 hours remaining, 203.695312 MB of memory in use. ENERGY: 384200 750.7107 2101.1861 1943.9592 117.1310 -206333.0850 17935.8155 0.0000 0.0000 34274.8783 -149209.4042 299.3310 -183484.2824 -149115.5742 299.0391 -7.3032 27.0739 556688.3167 8.5398 8.4357 LDB: ============= START OF LOAD BALANCING ============== 1139.86 LDB: ============== END OF LOAD BALANCING =============== 1139.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1139.86 LDB: ============= START OF LOAD BALANCING ============== 1140.15 LDB: Largest compute 4848 load 0.031071 is 26.4% of average load 0.117795 LDB: Average compute 0.001731 is 1.5% of average load 0.117795 LDB: TIME 1140.15 LOAD: AVG 0.117795 MAX 0.197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.848 MB LDB: TIME 1140.15 LOAD: AVG 0.117795 MAX 0.197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.055 MB LDB: TIME 1140.15 LOAD: AVG 0.117795 MAX 0.197 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1140.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1140.16 PRESSURE: 384400 357.493 185.686 -47.5822 185.684 94.0616 -48.8268 -47.5835 -48.8274 407.801 GPRESSURE: 384400 387.055 200.36 -55.1104 208.028 159.91 -89.0553 -45.9239 -54.1841 399.69 PRESSAVG: 384400 -62.6376 54.8486 -20.275 54.8486 19.3069 10.1261 -20.2751 10.126 41.4279 GPRESSAVG: 384400 -61.7391 55.7806 -19.8399 55.2577 18.4118 10.8819 -20.2616 10.9152 41.5225 TIMING: 384400 CPU: 1137.03, 0.00299393/step Wall: 1137.03, 0.00299393/step, 3.83856 hours remaining, 204.339844 MB of memory in use. ENERGY: 384400 749.7617 2086.8543 1968.2669 115.9251 -206694.6557 18192.8531 0.0000 0.0000 34383.6649 -149197.3297 300.2811 -183580.9946 -149094.4850 299.6131 286.4521 315.5518 556144.7293 -0.6342 -0.6016 PRESSURE: 384600 -5.84558 -89.8376 -159.926 -89.8383 -161.988 -21.6313 -159.925 -21.6316 177.909 GPRESSURE: 384600 30.3588 -182.235 -134.935 -46.8495 -74.7411 -21.6927 -165.73 -82.5525 154.601 PRESSAVG: 384600 -1.97196 51.6248 -17.9393 51.6248 -6.02227 9.74332 -17.9393 9.7434 2.42368 GPRESSAVG: 384600 -0.889947 51.382 -17.6928 51.707 -6.64836 9.08015 -17.6603 7.53808 2.1933 TIMING: 384600 CPU: 1137.62, 0.00293327/step Wall: 1137.62, 0.00293327/step, 3.76061 hours remaining, 204.394531 MB of memory in use. ENERGY: 384600 807.4162 2104.0870 1929.8942 115.2359 -206335.6652 17954.1638 0.0000 0.0000 34198.8605 -149226.0077 298.6672 -183424.8682 -149145.0628 300.0020 3.3585 36.7396 556566.6949 -1.8568 -1.7817 PRESSURE: 384800 -429.921 313.659 95.6819 313.657 -248.577 -131.737 95.6802 -131.736 19.3456 GPRESSURE: 384800 -436.371 172.48 67.5752 400.337 -228.143 -40.3783 134.214 -89.3801 111.088 PRESSAVG: 384800 2.79214 83.8046 12.4075 83.8046 -29.5252 -5.35086 12.4075 -5.35094 28.9438 GPRESSAVG: 384800 2.32337 82.3984 11.8053 83.6481 -28.8485 -2.95708 11.8697 -4.69494 28.5073 TIMING: 384800 CPU: 1138.21, 0.00296051/step Wall: 1138.21, 0.00296051/step, 3.79537 hours remaining, 204.394531 MB of memory in use. ENERGY: 384800 749.1248 2031.8051 1928.5613 104.7294 -205728.5781 17499.8586 0.0000 0.0000 34033.0319 -149381.4670 297.2189 -183414.4989 -149282.0329 299.5689 -219.7174 -184.4751 559653.7949 0.7369 0.6607 PRESSURE: 385000 -33.8955 112.162 -6.30241 112.162 58.6544 33.8768 -6.30189 33.8767 -23.6709 GPRESSURE: 385000 -7.89475 93.4622 72.2215 90.9943 102.526 88.6505 -21.2203 -17.6708 8.6463 PRESSAVG: 385000 9.95062 -17.8466 -51.6125 -17.8465 11.4591 -33.5914 -51.6125 -33.5914 -29.1603 GPRESSAVG: 385000 9.74269 -15.6006 -51.2133 -19.179 11.0502 -34.4934 -50.5195 -33.7145 -28.3591 TIMING: 385000 CPU: 1138.8, 0.00294003/step Wall: 1138.8, 0.00294003/step, 3.76896 hours remaining, 204.394531 MB of memory in use. ENERGY: 385000 754.7411 2095.3500 1949.1790 110.7550 -206346.6450 17925.4635 0.0000 0.0000 34291.5948 -149219.5616 299.4770 -183511.1565 -149119.5232 299.4488 0.3626 34.4259 556931.5118 -2.5835 -2.5220 PRESSURE: 385200 -241.655 -27.4777 43.3785 -27.4774 -578.726 -90.4789 43.3785 -90.4808 -265.593 GPRESSURE: 385200 -201.742 -63.706 126.769 42.4565 -530.513 -66.3653 45.8031 -156.328 -247.265 PRESSAVG: 385200 -1.77684 -6.29361 53.5395 -6.29364 -20.1613 -12.7381 53.5396 -12.738 -20.3706 GPRESSAVG: 385200 -1.17021 -6.51986 53.8384 -3.89294 -19.7225 -11.4303 55.7515 -13.0422 -21.0795 TIMING: 385200 CPU: 1139.39, 0.00296211/step Wall: 1139.39, 0.00296211/step, 3.7971 hours remaining, 204.394531 MB of memory in use. ENERGY: 385200 733.6650 2076.0884 1929.9825 113.7429 -205764.1763 17272.8079 0.0000 0.0000 34151.3660 -149486.5236 298.2524 -183637.8896 -149387.7328 299.0195 -361.9916 -326.5064 557924.4992 -14.1029 -13.9907 PRESSURE: 385400 271.446 213.702 173.136 213.7 131.365 -16.2361 173.136 -16.2374 344.162 GPRESSURE: 385400 290.599 200.998 195.312 266.327 182.428 67.7998 151.376 -22.1524 357.842 PRESSAVG: 385400 32.45 2.81106 20.0781 2.81107 -34.5749 17.8166 20.0781 17.8165 -20.0157 GPRESSAVG: 385400 32.7325 2.9583 20.0149 2.86693 -34.4814 17.0121 18.7871 17.7943 -20.547 TIMING: 385400 CPU: 1139.98, 0.00295187/step Wall: 1139.98, 0.00295187/step, 3.78381 hours remaining, 204.625000 MB of memory in use. ENERGY: 385400 742.5556 2158.3643 1936.1369 118.2825 -207122.1759 18302.2660 0.0000 0.0000 34312.7803 -149551.7902 299.6620 -183864.5705 -149457.3085 298.3989 248.9910 276.9563 556234.2176 -7.3802 -7.4320 PRESSURE: 385600 -72.0546 18.9904 -30.5797 18.9901 -138.743 -65.8298 -30.5807 -65.8293 -21.0314 GPRESSURE: 385600 -51.9578 72.4294 -95.5843 27.1398 -34.2926 -0.617788 -25.8388 37.7166 -49.5916 PRESSAVG: 385600 52.2922 32.7215 34.2252 32.7214 -24.2175 -48.0538 34.2251 -48.0539 -4.92183 GPRESSAVG: 385600 51.9469 32.0752 34.5625 31.8207 -24.1711 -47.3151 32.8488 -48.3774 -5.03509 TIMING: 385600 CPU: 1140.57, 0.00296626/step Wall: 1140.57, 0.00296626/step, 3.80209 hours remaining, 204.625000 MB of memory in use. ENERGY: 385600 796.9318 2053.5845 1970.4370 106.7599 -206444.1357 17801.1185 0.0000 0.0000 34189.0386 -149526.2652 298.5814 -183715.3039 -149427.6991 298.3442 -77.2763 -45.2807 555841.9144 7.7176 7.5803 PRESSURE: 385800 -474.511 53.1954 117.817 53.1952 -288.815 142.067 117.816 142.067 86.1326 GPRESSURE: 385800 -365.69 27.9642 70.1389 86.2059 -226.105 154.501 160.655 84.86 12.557 PRESSAVG: 385800 10.7688 -23.9088 8.49178 -23.9089 -24.5473 9.37235 8.49187 9.37251 16.488 GPRESSAVG: 385800 10.299 -25.0411 9.04079 -24.1295 -24.4015 5.5535 8.85729 10.7023 16.9147 TIMING: 385800 CPU: 1141.17, 0.0029645/step Wall: 1141.17, 0.0029645/step, 3.79966 hours remaining, 204.625000 MB of memory in use. ENERGY: 385800 810.1630 2072.7636 1944.3053 107.5907 -206241.0236 17711.3144 0.0000 0.0000 34237.2092 -149357.6775 299.0021 -183594.8867 -149274.7053 298.3875 -225.7312 -193.0796 557806.5276 0.9032 0.9374 PRESSURE: 386000 211.116 -26.6414 249.388 -26.6416 -95.877 16.6242 249.388 16.6246 40.2081 GPRESSURE: 386000 172.841 -29.7697 245.931 -60.814 -21.9662 8.42004 191.924 -25.6894 89.3132 PRESSAVG: 386000 -34.1636 -14.0801 65.7247 -14.08 -50.0348 -4.06735 65.7248 -4.06722 99.3755 GPRESSAVG: 386000 -33.4917 -13.4414 64.4636 -13.7698 -49.6128 -0.130302 67.2814 -6.04042 98.0271 TIMING: 386000 CPU: 1141.75, 0.00293244/step Wall: 1141.75, 0.00293244/step, 3.75841 hours remaining, 204.625000 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: 386000 766.8125 2111.7474 1961.7183 119.8699 -206713.5917 18044.5393 0.0000 0.0000 34337.9340 -149370.9702 299.8817 -183708.9042 -149284.7302 299.3075 51.8159 80.0627 558013.2382 5.0590 4.9742 PRESSURE: 386200 22.0999 -91.0457 -30.0995 -91.0456 -64.7507 -161.099 -30.0989 -161.1 -166.609 GPRESSURE: 386200 4.85101 -123.041 -8.89635 0.386677 -2.61752 -176.692 -96.5425 -116.439 -104.324 PRESSAVG: 386200 34.856 20.3639 -15.5591 20.3639 -40.6395 -35.321 -15.5591 -35.3211 9.00145 GPRESSAVG: 386200 33.9871 20.5484 -14.4914 21.0935 -40.9318 -37.4372 -17.2287 -34.2976 10.6559 TIMING: 386200 CPU: 1142.34, 0.00292466/step Wall: 1142.34, 0.00292466/step, 3.74827 hours remaining, 204.625000 MB of memory in use. ENERGY: 386200 763.9951 2049.1466 1944.2060 112.5682 -205993.6685 17716.8850 0.0000 0.0000 34148.6117 -149258.2559 298.2283 -183406.8677 -149168.4192 299.4320 -69.7534 -34.0303 559733.0282 1.0727 1.2371 PRESSURE: 386400 35.2053 44.7211 35.0268 44.7215 157.766 97.5609 35.0267 97.5607 37.6525 GPRESSURE: 386400 93.957 32.1352 112.331 -34.6146 183.08 74.8591 38.1828 130.431 52.7895 PRESSAVG: 386400 55.9002 30.5424 -19.5014 30.5424 -25.7941 -30.6205 -19.5014 -30.6205 -35.3885 GPRESSAVG: 386400 56.4683 32.0936 -20.8901 28.5989 -26.4106 -29.7666 -16.662 -31.3467 -35.3263 TIMING: 386400 CPU: 1142.93, 0.00294391/step Wall: 1142.93, 0.00294391/step, 3.77279 hours remaining, 204.625000 MB of memory in use. ENERGY: 386400 739.9512 2061.1025 1955.0609 114.8371 -206449.0929 18060.4910 0.0000 0.0000 34220.0958 -149297.5543 298.8526 -183517.6501 -149201.7180 299.5947 76.8746 109.9422 558046.3508 -1.7608 -1.7562 PRESSURE: 386600 -178.872 -52.4677 -276.15 -52.4683 -326.476 -236.352 -276.149 -236.351 -193.083 GPRESSURE: 386600 -161.373 -59.3259 -233.167 -95.6763 -312.59 -220.262 -302.04 -215.43 -128.195 PRESSAVG: 386600 -65.0476 13.0453 1.92083 13.0453 43.5357 2.92595 1.9208 2.92601 25.6287 GPRESSAVG: 386600 -65.5614 14.2743 3.37155 11.8637 43.1506 2.66206 -0.189476 3.6898 26.7444 TIMING: 386600 CPU: 1143.52, 0.00298038/step Wall: 1143.52, 0.00298038/step, 3.81936 hours remaining, 204.625000 MB of memory in use. ENERGY: 386600 756.1205 2066.6771 1938.6466 114.1169 -205687.3528 17512.0083 0.0000 0.0000 34316.1354 -148983.6480 299.6913 -183299.7833 -148887.2855 299.8116 -232.8102 -200.7190 559476.7541 1.3723 1.4445 PRESSURE: 386800 -9.23955 71.6401 -79.0036 71.6402 -259.625 -3.39812 -79.0044 -3.39681 149.186 GPRESSURE: 386800 12.0435 105.318 -100.511 8.09288 -177.045 6.14133 -75.718 -27.0333 143.465 PRESSAVG: 386800 21.2686 3.12229 47.1022 3.12243 -85.1175 -65.0526 47.1023 -65.0527 47.9363 GPRESSAVG: 386800 21.5742 0.526554 45.8166 3.38395 -83.7714 -65.298 46.1238 -64.7378 47.2102 TIMING: 386800 CPU: 1144.11, 0.00295458/step Wall: 1144.11, 0.00295458/step, 3.78613 hours remaining, 204.625000 MB of memory in use. ENERGY: 386800 745.1910 2102.7133 1927.4004 104.3789 -206180.4190 17753.1353 0.0000 0.0000 34471.8779 -149075.7222 301.0515 -183547.6002 -148978.4831 300.6278 -39.8928 -7.1788 557604.6298 -5.3042 -4.9957 PRESSURE: 387000 75.4325 -124.46 55.9301 -124.459 53.555 -44.9068 55.9302 -44.9057 67.4321 GPRESSURE: 387000 152.458 -164.033 64.3388 -57.8195 48.7702 26.2329 22.106 -30.7378 84.2537 PRESSAVG: 387000 7.03194 -25.4781 -3.45379 -25.4781 3.79052 -1.43999 -3.4538 -1.44 -20.6448 GPRESSAVG: 387000 8.09994 -23.8724 -1.86489 -24.0759 2.93396 -0.706662 -3.22186 -1.74252 -21.1353 TIMING: 387000 CPU: 1144.71, 0.00296854/step Wall: 1144.71, 0.00296854/step, 3.80386 hours remaining, 204.625000 MB of memory in use. ENERGY: 387000 746.2136 2146.6894 1939.7987 117.9258 -206150.3227 17784.8724 0.0000 0.0000 34340.7500 -149074.0728 299.9063 -183414.8229 -148975.3940 299.7008 65.4732 95.1605 556626.6374 -3.2741 -3.3671 PRESSURE: 387200 148.814 44.3739 -115.709 44.374 -292.54 74.2189 -115.709 74.2194 177.859 GPRESSURE: 387200 175.996 14.2071 -138.224 66.5022 -301.386 24.8929 -163.048 144.285 245.301 PRESSAVG: 387200 -77.1641 -36.6759 -51.9366 -36.676 100.049 -38.606 -51.9367 -38.606 11.2813 GPRESSAVG: 387200 -78.327 -37.5494 -50.2581 -38.3888 100.122 -39.3621 -53.7465 -37.9316 12.9978 TIMING: 387200 CPU: 1145.3, 0.00297374/step Wall: 1145.3, 0.00297374/step, 3.81035 hours remaining, 204.625000 MB of memory in use. ENERGY: 387200 741.4570 2119.9706 1962.8416 130.7070 -206511.0650 17936.2759 0.0000 0.0000 34477.9850 -149141.8279 301.1048 -183619.8130 -149048.8514 299.6659 11.3776 39.9704 558477.4476 11.3889 11.5975 PRESSURE: 387400 -170.634 47.0322 -84.6624 47.0306 91.4799 48.0098 -84.663 48.0093 -201.509 GPRESSURE: 387400 -131.527 0.599742 -68.7048 63.6253 110.586 -11.6561 -67.3889 31.9229 -158.331 PRESSAVG: 387400 -19.056 -39.4554 -49.898 -39.4554 10.4109 -13.0978 -49.8981 -13.0979 31.7945 GPRESSAVG: 387400 -19.1066 -40.6918 -53.0313 -38.8575 10.6479 -12.5096 -46.8652 -13.2682 31.3489 TIMING: 387400 CPU: 1145.9, 0.00298223/step Wall: 1145.9, 0.00298223/step, 3.82106 hours remaining, 204.625000 MB of memory in use. ENERGY: 387400 742.4732 2096.8580 1965.4081 106.3641 -206261.4817 17770.7114 0.0000 0.0000 34372.3508 -149207.3162 300.1823 -183579.6670 -149111.8939 299.7410 -93.5543 -59.7574 558296.0868 7.7165 7.6301 PRESSURE: 387600 -303.197 80.4087 -10.2925 80.4089 -90.3297 -17.3815 -10.2916 -17.3804 12.9348 GPRESSURE: 387600 -301.979 38.4558 -8.14696 59.7752 -24.0421 45.3344 11.0915 -112.628 25.2091 PRESSAVG: 387600 -5.54382 -24.5689 1.77372 -24.5688 -50.647 -18.0746 1.77364 -18.0744 76.0357 GPRESSAVG: 387600 -4.97848 -24.7389 2.60055 -23.9393 -50.9648 -18.0685 0.538955 -18.5704 75.3781 TIMING: 387600 CPU: 1146.49, 0.00296801/step Wall: 1146.49, 0.00296801/step, 3.80268 hours remaining, 204.625000 MB of memory in use. ENERGY: 387600 755.0656 2037.7300 1914.5633 106.7302 -205794.0756 17606.4429 0.0000 0.0000 33989.4160 -149384.1277 296.8380 -183373.5437 -149288.8291 298.3794 -126.8640 -100.2708 559448.2805 6.6150 6.4783 PRESSURE: 387800 -83.2444 49.3848 241.946 49.3861 98.6011 27.8852 241.945 27.8865 49.3555 GPRESSURE: 387800 -44.8392 28.7796 204.594 8.77991 113.22 68.6749 271.898 -48.8993 108.285 PRESSAVG: 387800 -50.3292 -3.72803 6.26045 -3.72795 9.12202 26.0416 6.2604 26.0416 58.9082 GPRESSAVG: 387800 -50.4708 -2.51976 4.09125 -4.41918 9.65185 25.2709 8.45035 28.1594 58.3047 TIMING: 387800 CPU: 1147.08, 0.00296328/step Wall: 1147.08, 0.00296328/step, 3.79646 hours remaining, 204.625000 MB of memory in use. ENERGY: 387800 756.0265 2089.6690 1943.2492 107.4879 -206402.3676 18032.0798 0.0000 0.0000 34028.9476 -149444.9076 297.1833 -183473.8552 -149346.3641 298.2763 21.5707 58.8883 558822.5873 5.9003 5.8286 PRESSURE: 388000 48.6362 -31.2206 -68.37 -31.2202 166.119 127.799 -68.3716 127.799 23.0528 GPRESSURE: 388000 45.6028 60.0978 -53.4148 -7.15724 209.3 151.862 -14.5701 43.473 60.9875 PRESSAVG: 388000 -47.1181 -35.6229 15.5231 -35.623 -33.9096 27.3213 15.523 27.3213 20.5759 GPRESSAVG: 388000 -46.9611 -37.02 17.0931 -35.1302 -35.4259 28.6265 14.7669 24.6074 21.771 TIMING: 388000 CPU: 1147.68, 0.00296437/step Wall: 1147.68, 0.00296437/step, 3.79768 hours remaining, 204.625000 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: 388000 753.3844 2116.3224 1944.1367 119.6996 -206480.1498 18023.8532 0.0000 0.0000 34223.3244 -149299.4291 298.8808 -183522.7535 -149204.3772 298.4396 79.2694 105.2967 556271.5729 -20.1506 -20.2053 PRESSURE: 388200 -125.838 -21.6997 -144.627 -21.7 -361.444 -165.44 -144.628 -165.439 23.7369 GPRESSURE: 388200 -116.72 9.60251 -186.646 11.5659 -244.771 -174.481 -122.58 -180.134 -8.07738 PRESSAVG: 388200 8.76523 14.5724 36.4436 14.5724 4.21808 36.5951 36.4436 36.5952 3.52416 GPRESSAVG: 388200 8.28037 16.5742 37.877 14.3848 6.08152 36.6219 34.9227 37.7658 2.25499 TIMING: 388200 CPU: 1148.27, 0.00295971/step Wall: 1148.27, 0.00295971/step, 3.79156 hours remaining, 204.625000 MB of memory in use. ENERGY: 388200 748.1370 2080.4331 1954.7397 104.5546 -205858.1469 17531.5010 0.0000 0.0000 34043.0620 -149395.7196 297.3065 -183438.7815 -149306.5259 298.5265 -154.5151 -123.1896 557403.5055 5.5025 5.5390 LDB: ============= START OF LOAD BALANCING ============== 1151.7 LDB: ============== END OF LOAD BALANCING =============== 1151.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1151.7 LDB: ============= START OF LOAD BALANCING ============== 1151.99 LDB: Largest compute 4848 load 0.031422 is 26.7% of average load 0.117695 LDB: Average compute 0.001733 is 1.5% of average load 0.117695 LDB: TIME 1152 LOAD: AVG 0.117695 MAX 0.196436 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.691 MB LDB: TIME 1152 LOAD: AVG 0.117695 MAX 0.196436 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.691 MB LDB: TIME 1152 LOAD: AVG 0.117695 MAX 0.196436 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.691 MB LDB: ============== END OF LOAD BALANCING =============== 1152 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1152 PRESSURE: 388400 42.8832 -105.012 153.676 -105.012 178.816 -15.2637 153.676 -15.2633 202.199 GPRESSURE: 388400 28.0545 -96.3323 130.902 -156.418 217.734 80.9776 134.164 -22.1758 273.051 PRESSAVG: 388400 -42.0948 -33.8041 10.711 -33.804 -2.05359 6.21099 10.711 6.21095 50.3389 GPRESSAVG: 388400 -41.8368 -33.1545 8.31662 -34.5623 -3.12064 5.75432 12.4372 5.20572 51.5169 TIMING: 388400 CPU: 1148.87, 0.00301098/step Wall: 1148.87, 0.00301098/step, 3.85707 hours remaining, 203.265625 MB of memory in use. ENERGY: 388400 717.8286 2060.7878 1936.4436 114.0747 -206583.6549 18137.0789 0.0000 0.0000 34191.2184 -149426.2229 298.6004 -183617.4413 -149332.7615 298.7714 141.2996 172.9465 557286.2653 2.0635 2.1865 PRESSURE: 388600 -91.9268 -67.335 81.2937 -67.3353 71.3787 -4.71108 81.2948 -4.70992 -150.393 GPRESSURE: 388600 -93.1895 -83.9852 65.0873 -98.0599 94.4833 25.7344 34.6304 19.2832 -72.789 PRESSAVG: 388600 58.5584 -72.752 25.4969 -72.752 2.35606 8.56648 25.4969 8.56635 -37.8281 GPRESSAVG: 388600 58.8508 -73.9323 27.3526 -72.9043 3.11019 9.81864 24.363 10.0465 -39.0527 TIMING: 388600 CPU: 1149.46, 0.00294208/step Wall: 1149.46, 0.00294208/step, 3.76864 hours remaining, 203.406250 MB of memory in use. ENERGY: 388600 708.4708 2074.2678 1934.1019 103.4102 -206201.0043 17660.0565 0.0000 0.0000 34167.5470 -149553.1499 298.3937 -183720.6970 -149463.0901 298.4367 -56.9803 -23.8317 555638.5158 7.6954 7.6361 PRESSURE: 388800 46.0368 -13.6726 45.0975 -13.6729 36.7258 -178.907 45.0975 -178.906 -184.466 GPRESSURE: 388800 83.4642 25.0692 -48.342 -11.6011 53.603 -243.444 68.3184 -224.801 -136.904 PRESSAVG: 388800 2.41702 -46.3315 61.5827 -46.3315 -1.74597 -42.4039 61.5828 -42.4039 7.74765 GPRESSAVG: 388800 1.15059 -47.3198 59.2956 -44.3313 -1.27289 -42.5932 62.4265 -43.9143 8.43425 TIMING: 388800 CPU: 1150.06, 0.00298133/step Wall: 1150.06, 0.00298133/step, 3.81875 hours remaining, 203.406250 MB of memory in use. ENERGY: 388800 721.5133 2093.1792 1928.6566 107.9545 -206267.1461 17690.8907 0.0000 0.0000 34250.3369 -149474.6149 299.1167 -183724.9517 -149380.2395 298.5098 -33.9010 0.0545 556319.5755 2.8062 2.7706 PRESSURE: 389000 153.968 -39.6816 351.215 -39.6828 -79.3674 -253.079 351.216 -253.078 122.576 GPRESSURE: 389000 167.856 -51.8052 393.992 7.05879 -83.3542 -234.56 337.986 -194.866 210.786 PRESSAVG: 389000 8.85735 -54.8284 96.8696 -54.8284 -4.04386 -47.7789 96.8696 -47.779 43.3097 GPRESSAVG: 389000 9.80199 -54.7726 99.234 -54.9427 -5.68181 -48.7231 97.1339 -47.4789 43.8132 TIMING: 389000 CPU: 1150.65, 0.00295348/step Wall: 1150.65, 0.00295348/step, 3.78291 hours remaining, 203.406250 MB of memory in use. ENERGY: 389000 718.2064 2020.8381 1955.2432 100.4263 -206492.9451 17898.2963 0.0000 0.0000 34100.0065 -149699.9283 297.8038 -183799.9348 -149604.9579 298.6966 65.7257 98.4290 556736.9164 16.0411 15.9778 PRESSURE: 389200 -323.308 4.2428 -81.1885 4.24336 33.4687 -160.888 -81.1894 -160.889 -52.09 GPRESSURE: 389200 -339.352 47.6478 -102.889 11.0843 118.277 -113.676 -95.1143 -210.871 -17.5936 PRESSAVG: 389200 22.1922 13.416 55.1734 13.4161 -3.72222 -74.522 55.1734 -74.5221 2.63136 GPRESSAVG: 389200 21.3541 13.1988 55.8749 12.5515 -2.99432 -73.0662 54.6062 -74.9295 2.71531 TIMING: 389200 CPU: 1151.24, 0.00296363/step Wall: 1151.24, 0.00296363/step, 3.79575 hours remaining, 203.406250 MB of memory in use. ENERGY: 389200 739.1651 2054.2154 1920.0574 117.0143 -206438.5721 17722.7104 0.0000 0.0000 34188.5270 -149696.8825 298.5769 -183885.4096 -149601.4057 297.9308 -113.9763 -79.5564 556515.5167 7.0338 7.0250 PRESSURE: 389400 -124.592 -29.0246 -80.1515 -29.0252 -166.232 -45.5066 -80.15 -45.5057 -179.406 GPRESSURE: 389400 -117.345 52.4043 -177.741 -31.4572 -151.749 -84.0655 -169.298 -77.6377 -104.106 PRESSAVG: 389400 -36.1804 17.3943 53.2618 17.3943 21.0577 -51.2071 53.2619 -51.207 -7.83119 GPRESSAVG: 389400 -35.8792 17.4047 51.4734 16.7434 20.5871 -51.8215 53.3479 -49.9503 -7.96348 TIMING: 389400 CPU: 1151.83, 0.00294675/step Wall: 1151.83, 0.00294675/step, 3.77396 hours remaining, 203.406250 MB of memory in use. ENERGY: 389400 754.7038 2108.2334 1950.0512 128.0306 -206043.6500 17676.9947 0.0000 0.0000 33747.7523 -149677.8840 294.7275 -183425.6363 -149583.8866 296.9839 -156.7433 -124.3999 557983.6095 -7.6513 -7.7519 PRESSURE: 389600 207.911 55.0832 84.8122 55.0833 -73.2843 207.802 84.8133 207.8 -104.076 GPRESSURE: 389600 246.851 125.096 222.532 61.0096 -36.4422 211.047 -6.66191 166.293 -72.9243 PRESSAVG: 389600 7.81685 16.0298 7.11674 16.0298 -35.0299 -39.3996 7.11674 -39.3996 12.8971 GPRESSAVG: 389600 8.51496 17.5582 9.24542 17.1107 -35.2494 -40.3409 7.67528 -38.5315 12.6122 TIMING: 389600 CPU: 1152.42, 0.00293764/step Wall: 1152.42, 0.00293764/step, 3.76214 hours remaining, 203.406250 MB of memory in use. ENERGY: 389600 767.8143 2049.0028 1932.7835 122.5970 -206380.0271 17844.0472 0.0000 0.0000 34178.2976 -149485.4848 298.4876 -183663.7824 -149389.6620 297.6949 10.1833 45.8281 555431.9175 -4.7720 -4.7074 PRESSURE: 389800 -209.428 -31.4541 87.5795 -31.4547 -223.006 1.73259 87.5804 1.73265 -124.457 GPRESSURE: 389800 -80.5428 -76.2729 40.7244 -29.2512 -288.958 17.6893 99.2469 -36.1183 -95.2551 PRESSAVG: 389800 6.55642 23.2608 35.6205 23.2606 -13.2923 34.6553 35.6205 34.6553 -8.92523 GPRESSAVG: 389800 6.28495 22.3373 33.7967 23.8874 -12.9309 35.9214 35.8981 34.4534 -8.92398 TIMING: 389800 CPU: 1153.01, 0.00294843/step Wall: 1153.01, 0.00294843/step, 3.77579 hours remaining, 203.406250 MB of memory in use. ENERGY: 389800 726.2350 2047.3032 1952.8224 113.9699 -206000.7069 17465.4755 0.0000 0.0000 34145.4628 -149549.4381 298.2008 -183694.9009 -149452.6122 298.2828 -185.6306 -154.9185 557827.9043 -5.2204 -5.1900 PRESSURE: 390000 8.8701 103.861 141.428 103.86 45.207 40.4513 141.429 40.452 46.2868 GPRESSURE: 390000 24.0614 106.016 111.344 88.7043 60.747 27.8762 78.8193 -9.76534 119.466 PRESSAVG: 390000 9.5558 21.9197 -26.2679 21.9197 -26.4336 -20.2331 -26.2679 -20.2332 22.5373 GPRESSAVG: 390000 9.20186 22.1546 -27.9102 20.0037 -25.6995 -22.2096 -26.0904 -19.7762 22.5451 TIMING: 390000 CPU: 1153.6, 0.00295184/step Wall: 1153.6, 0.00295184/step, 3.77999 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: 390000 743.0574 2104.5195 1943.9344 119.3852 -206931.3417 17926.2841 0.0000 0.0000 34370.0504 -149724.1107 300.1622 -184094.1611 -149631.8387 298.0914 33.4546 68.0914 555502.8121 1.8865 2.0158 PRESSURE: 390200 59.0308 -24.2116 -177.423 -24.212 -117.117 118.663 -177.424 118.662 -90.9859 GPRESSURE: 390200 72.5284 -11.2838 -182.835 -61.9284 -72.8905 98.2884 -133.771 27.5553 -47.7784 PRESSAVG: 390200 31.8012 4.44381 4.22173 4.44376 12.3983 -19.7084 4.22178 -19.7084 -41.8363 GPRESSAVG: 390200 31.0691 5.07906 3.76381 5.00847 11.8581 -18.956 5.17911 -21.9608 -40.4079 TIMING: 390200 CPU: 1154.19, 0.00295485/step Wall: 1154.19, 0.00295485/step, 3.78369 hours remaining, 203.527344 MB of memory in use. ENERGY: 390200 746.5735 2148.1780 1959.5029 130.2684 -206687.8069 17930.4637 0.0000 0.0000 34290.7603 -149482.0600 299.4697 -183772.8203 -149382.3347 298.7083 -49.6907 -16.0468 557023.9976 0.7878 0.8398 PRESSURE: 390400 -123.449 -82.0919 131.622 -82.0904 -132.731 18.3536 131.622 18.3522 81.1466 GPRESSURE: 390400 -83.2866 -85.547 142.226 -72.6836 -100.733 8.50404 130.046 -20.1418 98.2533 PRESSAVG: 390400 -2.10955 7.08514 28.8637 7.08516 19.8254 66.7806 28.8637 66.7806 34.2177 GPRESSAVG: 390400 -1.05895 7.38105 29.5748 7.54335 19.0723 68.1528 28.5889 67.3194 34.1418 TIMING: 390400 CPU: 1154.78, 0.00295117/step Wall: 1154.78, 0.00295117/step, 3.77881 hours remaining, 203.527344 MB of memory in use. ENERGY: 390400 719.3398 2119.8105 1936.6912 119.9735 -206581.2663 17825.4468 0.0000 0.0000 34271.5317 -149588.4728 299.3018 -183860.0044 -149487.2620 298.9033 -58.3444 -28.5887 556448.1615 17.3112 17.3851 PRESSURE: 390600 -213.259 191.886 -57.6002 191.887 149.709 73.1557 -57.6021 73.1551 -123.423 GPRESSURE: 390600 -154.804 243.1 -59.6142 222.54 178.939 25.051 -43.5907 95.0487 -108.07 PRESSAVG: 390600 -78.6371 -34.1347 5.80545 -34.1347 51.5187 29.1682 5.80538 29.1684 63.0433 GPRESSAVG: 390600 -78.7386 -33.8955 6.68544 -36.4482 52.8247 27.9541 4.20643 28.8654 61.2737 TIMING: 390600 CPU: 1155.37, 0.00293675/step Wall: 1155.37, 0.00293675/step, 3.76018 hours remaining, 203.527344 MB of memory in use. ENERGY: 390600 776.2687 2146.6239 1921.0004 110.5014 -206463.3580 17781.0813 0.0000 0.0000 34084.9732 -149642.9090 297.6725 -183727.8822 -149537.5298 298.1120 -62.3245 -27.9786 556140.0210 11.9750 11.7866 PRESSURE: 390800 61.1217 -71.5551 69.7849 -71.5549 -73.1021 -117.866 69.7845 -117.864 -209.521 GPRESSURE: 390800 61.5781 1.63219 9.62017 -62.7134 -74.2788 -167.118 103.983 -70.1451 -112.497 PRESSAVG: 390800 -8.66224 -26.6638 7.07624 -26.6637 44.3121 10.8315 7.07622 10.8317 1.03803 GPRESSAVG: 390800 -8.45699 -26.9457 6.62956 -23.5179 43.9401 11.6624 8.69728 10.0156 1.4234 TIMING: 390800 CPU: 1155.95, 0.00293994/step Wall: 1155.95, 0.00293994/step, 3.7641 hours remaining, 203.527344 MB of memory in use. ENERGY: 390800 751.4153 2108.6299 1956.7546 108.1155 -206593.8530 17861.2629 0.0000 0.0000 33978.1687 -149829.5062 296.7398 -183807.6749 -149734.7262 297.9132 -73.8339 -41.7326 556166.3542 12.2293 12.3022 PRESSURE: 391000 -213.6 -29.4439 -13.0319 -29.4437 -88.6385 27.6978 -13.0318 27.7002 -217.098 GPRESSURE: 391000 -172.716 17.6065 32.4642 -39.1681 -69.644 40.7666 32.3441 -47.5247 -166.637 PRESSAVG: 391000 0.393193 17.0966 -28.1718 17.0965 -44.011 -18.9398 -28.1718 -18.9397 43.3956 GPRESSAVG: 391000 0.270572 17.8433 -27.7211 14.8092 -44.0345 -19.8074 -28.9194 -18.3448 44.3359 TIMING: 391000 CPU: 1156.54, 0.00292946/step Wall: 1156.54, 0.00292946/step, 3.75053 hours remaining, 203.527344 MB of memory in use. ENERGY: 391000 766.7577 2047.2032 1953.7330 111.1098 -206529.9766 17836.7506 0.0000 0.0000 34024.3247 -149790.0977 297.1429 -183814.4223 -149698.8976 296.9816 -173.1121 -136.3322 556808.8624 -0.0741 0.1907 PRESSURE: 391200 71.5825 -149.576 128.783 -149.576 12.5147 -70.8633 128.784 -70.8634 -72.1185 GPRESSURE: 391200 120.625 -213.915 132.654 -62.3434 47.8275 -52.9073 196.77 -59.3219 -66.7214 PRESSAVG: 391200 28.2212 -4.63707 21.8306 -4.63698 -26.4199 21.351 21.8305 21.3508 -26.1078 GPRESSAVG: 391200 28.2645 -3.78496 23.3007 -5.38416 -28.096 21.7 21.581 21.8112 -25.0561 TIMING: 391200 CPU: 1157.13, 0.00293788/step Wall: 1157.13, 0.00293788/step, 3.76114 hours remaining, 203.527344 MB of memory in use. ENERGY: 391200 730.1082 2109.1382 1939.6754 102.8492 -206299.9827 17750.4704 0.0000 0.0000 33793.2809 -149874.4604 295.1251 -183667.7413 -149780.6205 296.8100 3.9929 33.9102 557041.4043 -8.1022 -8.2959 PRESSURE: 391400 -318.064 61.601 -50.4438 61.5997 -159.747 -206.125 -50.4435 -206.124 -93.7791 GPRESSURE: 391400 -220.463 -43.7291 -43.7917 108.166 -221.67 -187.012 36.2744 -148.668 -31.2004 PRESSAVG: 391400 9.91622 -34.0059 -52.8946 -34.0059 58.0395 -12.0247 -52.8945 -12.0247 -59.0434 GPRESSAVG: 391400 8.83362 -35.2908 -52.0259 -32.9094 60.1376 -13.2806 -54.7647 -11.5411 -60.2241 TIMING: 391400 CPU: 1157.72, 0.00295832/step Wall: 1157.72, 0.00295832/step, 3.78715 hours remaining, 203.527344 MB of memory in use. ENERGY: 391400 725.2646 2067.5890 1970.2695 121.0401 -206461.0294 17740.2699 0.0000 0.0000 33919.8075 -149916.7889 296.2301 -183836.5964 -149816.3784 297.5914 -190.5299 -157.7775 557256.8793 2.9708 2.9157 PRESSURE: 391600 206.289 90.0643 94.5815 90.0627 -12.8981 4.96869 94.5804 4.96815 -96.8201 GPRESSURE: 391600 203.348 -18.9598 2.3142 53.9983 47.0886 44.4399 107.452 6.74702 -66.5277 PRESSAVG: 391600 -20.7587 10.3027 30.2823 10.3027 -4.24714 -3.58564 30.2824 -3.58569 36.1383 GPRESSAVG: 391600 -20.0444 10.2201 27.6223 10.8744 -4.64159 -2.14032 33.4556 -2.03679 36.2107 TIMING: 391600 CPU: 1158.31, 0.00296662/step Wall: 1158.31, 0.00296662/step, 3.7976 hours remaining, 203.726562 MB of memory in use. ENERGY: 391600 735.4299 2028.1417 1939.9419 111.1838 -206914.1880 18072.8362 0.0000 0.0000 34286.4159 -149740.2386 299.4318 -184026.6545 -149646.8095 298.3077 32.1901 61.3029 557305.1292 3.7108 3.8416 PRESSURE: 391800 -121.468 -30.1135 81.6649 -30.1131 109.534 -14.5301 81.6645 -14.5288 -219.605 GPRESSURE: 391800 -94.9424 -25.0183 93.0715 -5.86934 58.5235 48.4308 -0.487029 -61.0345 -96.6803 PRESSAVG: 391800 3.89831 -26.6392 1.45953 -26.6393 4.21739 14.1976 1.45961 14.1976 9.83054 GPRESSAVG: 391800 3.33165 -25.6532 2.70912 -27.5459 3.45369 14.6105 -0.717741 11.0109 10.9998 TIMING: 391800 CPU: 1158.9, 0.00296316/step Wall: 1158.9, 0.00296316/step, 3.79301 hours remaining, 203.726562 MB of memory in use. ENERGY: 391800 755.4505 2054.9224 1982.3816 104.8357 -206439.4437 17824.5293 0.0000 0.0000 34120.6485 -149596.6757 297.9841 -183717.3242 -149500.7825 297.7487 -77.1795 -44.3664 559007.0469 5.9821 5.9284 PRESSURE: 392000 -280.33 94.2031 33.9499 94.2023 -124.481 77.8353 33.9494 77.8341 24.0431 GPRESSURE: 392000 -234.427 33.3739 -65.699 155.928 -77.2157 71.1577 134.019 121.548 34.8924 PRESSAVG: 392000 1.84007 61.5841 44.6804 61.584 -46.4475 -3.96927 44.6804 -3.96925 90.8366 GPRESSAVG: 392000 3.39795 60.2071 42.9141 63.2932 -46.7709 -5.53689 45.7922 -2.17652 89.6627 TIMING: 392000 CPU: 1159.5, 0.00297111/step Wall: 1159.5, 0.00297111/step, 3.80302 hours remaining, 203.726562 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: 392000 755.0086 2056.1295 1983.8958 106.0212 -206548.2034 17957.1280 0.0000 0.0000 34001.0020 -149689.0183 296.9392 -183690.0203 -149587.9454 298.0038 -126.9227 -92.2501 559654.9608 15.4097 15.4299 PRESSURE: 392200 2.78007 13.7054 38.1895 13.7059 124.716 54.6684 38.1887 54.6679 -95.306 GPRESSURE: 392200 77.3273 43.9089 115.044 29.1224 134.999 14.9617 -36.4405 76.5614 -84.9918 PRESSAVG: 392200 -14.2506 61.4616 -0.00758496 61.4617 -51.2994 31.9383 -0.00766263 31.9383 56.9151 GPRESSAVG: 392200 -15.5457 60.2813 3.66538 61.9183 -50.4808 33.8258 -1.11997 29.4529 57.2783 TIMING: 392200 CPU: 1160.09, 0.00297255/step Wall: 1160.09, 0.00297255/step, 3.8047 hours remaining, 203.726562 MB of memory in use. ENERGY: 392200 725.9557 2117.3331 1937.4604 116.0845 -206522.6124 18068.0998 0.0000 0.0000 34013.5096 -149544.1693 297.0484 -183557.6789 -149450.2179 297.9217 10.7301 42.4447 558373.1957 -2.8783 -2.9161 LDB: ============= START OF LOAD BALANCING ============== 1163.52 LDB: ============== END OF LOAD BALANCING =============== 1163.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1163.52 LDB: ============= START OF LOAD BALANCING ============== 1163.82 LDB: Largest compute 4848 load 0.031513 is 26.8% of average load 0.117779 LDB: Average compute 0.001729 is 1.5% of average load 0.117779 LDB: TIME 1163.82 LOAD: AVG 0.117779 MAX 0.19776 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.098 MB LDB: TIME 1163.82 LOAD: AVG 0.117779 MAX 0.19776 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.098 MB LDB: TIME 1163.82 LOAD: AVG 0.117779 MAX 0.19776 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.098 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1163.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1163.83 PRESSURE: 392400 -60.8001 90.7177 -68.2525 90.7172 -227.86 -20.4618 -68.2519 -20.4617 121.203 GPRESSURE: 392400 -8.29663 95.2012 -171.311 44.7236 -213.322 -64.7835 35.6133 23.7468 151.617 PRESSAVG: 392400 32.2241 23.8768 38.9335 23.8767 45.7695 7.23736 38.9336 7.23746 -75.1686 GPRESSAVG: 392400 33.671 26.1264 36.3636 21.3724 45.3405 5.39885 38.4327 9.64526 -75.7168 TIMING: 392400 CPU: 1160.7, 0.00301321/step Wall: 1160.7, 0.00301321/step, 3.85657 hours remaining, 202.160156 MB of memory in use. ENERGY: 392400 753.2929 2081.2558 1966.5650 110.0293 -206272.7866 17724.5664 0.0000 0.0000 34127.3702 -149509.7070 298.0428 -183637.0771 -149421.9126 298.2385 -55.8190 -23.3340 557730.0091 0.9417 1.0982 PRESSURE: 392600 -78.5659 49.8121 105.904 49.8131 -72.2903 -117.765 105.903 -117.766 192.493 GPRESSURE: 392600 -70.9206 -11.3571 12.186 31.1171 -30.1618 -139.255 52.1453 -98.6502 230.177 PRESSAVG: 392600 37.3186 -9.93647 -1.43094 -9.9365 -37.1111 36.9366 -1.43101 36.9365 -5.54396 GPRESSAVG: 392600 35.9575 -11.4575 -2.64097 -9.46631 -36.1524 38.3541 -1.1793 35.8106 -4.94715 TIMING: 392600 CPU: 1161.29, 0.00296025/step Wall: 1161.29, 0.00296025/step, 3.78863 hours remaining, 202.160156 MB of memory in use. ENERGY: 392600 738.2405 2091.0326 1965.8928 110.3081 -206362.7160 17953.6937 0.0000 0.0000 34013.3006 -149490.2477 297.0466 -183503.5482 -149400.9973 298.3557 13.8788 43.0316 556715.6363 -1.7788 -1.7140 PRESSURE: 392800 -9.86388 -78.9469 232.484 -78.9468 -240.794 162.847 232.484 162.846 171.93 GPRESSURE: 392800 34.0324 -33.0133 268.025 -69.9939 -167.247 211.707 188.229 166.314 153.387 PRESSAVG: 392800 -17.3932 -3.47367 22.7066 -3.4736 -2.76014 -4.23111 22.7066 -4.23117 20.1189 GPRESSAVG: 392800 -15.9411 -1.43112 24.0945 -2.88495 -2.93824 -3.63375 20.4129 -4.4806 18.56 TIMING: 392800 CPU: 1161.87, 0.00293411/step Wall: 1161.87, 0.00293411/step, 3.75501 hours remaining, 202.160156 MB of memory in use. ENERGY: 392800 757.7438 2127.8112 1933.2121 111.2539 -206504.0588 17835.8442 0.0000 0.0000 34394.1926 -149344.0010 300.3730 -183738.1936 -149242.4894 299.0290 -26.2426 6.7240 557306.6201 -0.0115 -0.1065 PRESSURE: 393000 -118.638 -307.077 87.8869 -307.075 25.8344 -196.509 87.8866 -196.509 -5.33603 GPRESSURE: 393000 -86.8607 -275.94 139.142 -272.407 75.7996 -178.88 31.5678 -291.304 15.2665 PRESSAVG: 393000 -22.7519 -54.6416 -23.4263 -54.6415 4.77144 -9.84318 -23.4263 -9.84335 26.9323 GPRESSAVG: 393000 -23.2141 -56.3465 -24.1434 -54.2745 4.99667 -10.4799 -21.3304 -9.65766 27.3067 TIMING: 393000 CPU: 1162.46, 0.00293276/step Wall: 1162.46, 0.00293276/step, 3.75312 hours remaining, 202.160156 MB of memory in use. ENERGY: 393000 725.9549 2121.1916 1941.5373 111.0111 -206245.9443 17651.0997 0.0000 0.0000 34475.3663 -149219.7834 301.0819 -183695.1497 -149121.3817 299.1807 -32.7131 1.4018 556722.3080 2.9839 3.0298 PRESSURE: 393200 -78.4047 1.06722 4.88301 1.06703 -353.099 162.568 4.8833 162.568 -138.761 GPRESSURE: 393200 -10.1136 0.00391953 -20.688 24.768 -344.428 158.717 125.285 113.829 -120.408 PRESSAVG: 393200 -24.9673 -22.7079 -19.0727 -22.7079 2.04815 -9.57427 -19.0727 -9.57435 8.05037 GPRESSAVG: 393200 -23.6347 -21.6496 -19.2628 -22.4691 1.38989 -7.13481 -18.9412 -10.1194 7.70027 TIMING: 393200 CPU: 1163.05, 0.00295977/step Wall: 1163.05, 0.00295977/step, 3.78752 hours remaining, 202.160156 MB of memory in use. ENERGY: 393200 725.6803 2124.9556 1921.3405 127.7640 -205928.1364 17607.5236 0.0000 0.0000 34203.5947 -149217.2778 298.7085 -183420.8725 -149120.2918 299.1012 -190.0883 -158.3164 557645.7107 -4.9563 -4.8482 PRESSURE: 393400 -102.684 78.6311 112.762 78.6311 -41.5776 -45.2446 112.762 -45.2447 87.8985 GPRESSURE: 393400 -80.7074 94.3891 151.912 81.9981 23.7917 -2.82253 47.4396 -25.2766 107.129 PRESSAVG: 393400 -11.2978 42.7488 68.9833 42.7488 -49.3502 -44.1502 68.9833 -44.1503 39.7071 GPRESSAVG: 393400 -12.8808 41.2189 69.5412 42.8272 -47.8192 -47.3052 69.8503 -43.2644 39.1273 TIMING: 393400 CPU: 1163.64, 0.00293603/step Wall: 1163.64, 0.00293603/step, 3.75698 hours remaining, 202.160156 MB of memory in use. ENERGY: 393400 722.5005 2061.1797 1939.6801 120.6578 -205850.0276 17568.5161 0.0000 0.0000 34186.3468 -149251.1466 298.5579 -183437.4934 -149151.9029 298.7255 -18.7875 16.7377 556918.6166 -6.9803 -7.1909 PRESSURE: 393600 -233.918 -236.549 -247.592 -236.549 -225.682 98.2485 -247.592 98.2474 -215.218 GPRESSURE: 393600 -204.44 -224.284 -220.497 -226.295 -198.618 76.4187 -247.034 136.031 -183.594 PRESSAVG: 393600 -18.1042 -38.4682 -45.9973 -38.4682 -3.58454 -59.6829 -45.9973 -59.6828 -19.2985 GPRESSAVG: 393600 -19.4563 -38.2876 -46.9235 -38.9852 -3.8007 -58.2819 -45.4466 -60.0013 -17.8641 TIMING: 393600 CPU: 1164.23, 0.00296412/step Wall: 1164.23, 0.00296412/step, 3.79276 hours remaining, 202.359375 MB of memory in use. ENERGY: 393600 761.5123 2101.4156 1958.1519 111.3656 -206095.4900 17463.9226 0.0000 0.0000 34165.9423 -149533.1796 298.3797 -183699.1219 -149435.4448 298.8405 -224.9393 -195.5510 557833.1030 -13.6624 -13.7070 PRESSURE: 393800 55.5969 17.275 89.4112 17.2752 -6.77086 62.6621 89.41 62.6642 -261.593 GPRESSURE: 393800 72.1946 33.6732 11.0629 -15.561 5.8364 53.4739 110.615 80.2245 -180.909 PRESSAVG: 393800 -16.39 -36.663 4.12307 -36.6629 -23.0255 73.598 4.12325 73.598 64.3278 GPRESSAVG: 393800 -14.7293 -34.2699 3.87359 -36.5162 -24.759 72.4212 2.94601 75.1741 64.2344 TIMING: 393800 CPU: 1164.83, 0.00296236/step Wall: 1164.83, 0.00296236/step, 3.79033 hours remaining, 202.359375 MB of memory in use. ENERGY: 393800 726.1047 2059.9163 1943.7191 113.0512 -206405.8218 17771.3137 0.0000 0.0000 34200.1691 -149591.5478 298.6786 -183791.7169 -149495.8016 298.2703 -70.9224 -34.2926 557027.6982 8.3041 8.2487 PRESSURE: 394000 39.3466 -128.727 -281.415 -128.729 -145.737 -103.693 -281.416 -103.692 -220.038 GPRESSURE: 394000 58.4539 -106.693 -249.971 -60.1776 -142.602 -111.424 -270.043 -36.2222 -140.975 PRESSAVG: 394000 -27.9766 2.44275 -40.792 2.44261 12.8902 -13.1826 -40.792 -13.1826 -28.9028 GPRESSAVG: 394000 -28.1413 -0.165009 -40.4273 4.18228 14.7185 -12.5733 -41.3878 -14.4489 -30.4117 TIMING: 394000 CPU: 1165.42, 0.00296305/step Wall: 1165.42, 0.00296306/step, 3.79106 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: 394000 739.6715 2071.6283 1950.7796 116.5958 -206132.8516 17661.0331 0.0000 0.0000 33928.2033 -149664.9399 296.3034 -183593.1433 -149569.3063 298.1075 -108.8095 -75.0410 558470.0410 -14.6631 -14.6115 PRESSURE: 394200 -271.208 96.6702 -48.9632 96.6702 80.8437 23.6506 -48.9635 23.652 11.6876 GPRESSURE: 394200 -199.165 94.5042 -52.3019 100.802 136.966 83.496 -25.1442 22.863 -22.5048 PRESSAVG: 394200 -22.2057 -2.61143 -35.3998 -2.61142 -26.3452 26.0848 -35.3998 26.0847 -7.9841 GPRESSAVG: 394200 -22.2285 -2.08987 -34.6632 -6.44555 -26.6048 27.3414 -35.2514 25.3465 -7.92238 TIMING: 394200 CPU: 1166, 0.00291703/step Wall: 1166, 0.00291703/step, 3.73201 hours remaining, 202.359375 MB of memory in use. ENERGY: 394200 755.8716 2089.2803 1926.8144 110.1260 -206664.7579 17921.2723 0.0000 0.0000 34064.5650 -149796.8283 297.4943 -183861.3934 -149704.8204 297.7434 -59.5588 -28.2344 558795.6483 -18.8450 -18.9186 PRESSURE: 394400 156.483 -43.102 -34.1302 -43.1018 -174.448 46.7885 -34.1313 46.7894 106.532 GPRESSURE: 394400 153.57 -7.73588 -119.496 -66.0332 -140.94 10.0172 45.1892 124.687 173.043 PRESSAVG: 394400 -57.5047 -6.8515 -5.56557 -6.85155 33.6206 -3.30223 -5.56551 -3.30224 3.05322 GPRESSAVG: 394400 -58.129 -6.32354 -4.81446 -4.088 33.7521 -3.95448 -6.04784 -2.66573 3.65349 TIMING: 394400 CPU: 1166.59, 0.00293084/step Wall: 1166.59, 0.00293084/step, 3.74953 hours remaining, 202.359375 MB of memory in use. ENERGY: 394400 726.7678 2124.3720 1951.2652 108.6925 -206700.0774 18115.5035 0.0000 0.0000 33972.6742 -149700.8022 296.6918 -183673.4764 -149607.2785 297.6384 29.5224 61.8910 559133.5153 -6.9436 -6.9078 PRESSURE: 394600 163.899 -29.1141 13.7661 -29.1146 -37.1403 -63.2469 13.7673 -63.2476 -18.3407 GPRESSURE: 394600 190.577 3.84419 -8.19752 -49.9053 1.62732 5.63776 -40.8188 -34.6439 -5.10714 PRESSAVG: 394600 44.3822 2.26295 -0.777566 2.26287 -35.3236 -25.1802 -0.777617 -25.1804 12.9292 GPRESSAVG: 394600 44.2112 0.832349 -1.60823 1.22887 -35.278 -26.129 1.39968 -24.9501 12.7856 TIMING: 394600 CPU: 1167.18, 0.00294507/step Wall: 1167.18, 0.00294507/step, 3.76757 hours remaining, 202.359375 MB of memory in use. ENERGY: 394600 728.4900 2080.2537 1917.7376 116.9685 -206390.6247 17855.2549 0.0000 0.0000 34003.2792 -149688.6407 296.9591 -183691.9199 -149595.3487 298.2541 36.1394 62.3656 556945.1253 7.3293 7.2396 PRESSURE: 394800 -80.3554 35.9809 78.8208 35.9812 199.785 -19.0653 78.822 -19.0646 57.6914 GPRESSURE: 394800 12.7687 -59.3807 108.919 52.4204 176.877 -126.464 54.8351 91.8012 76.1371 PRESSAVG: 394800 8.43175 3.33445 7.88572 3.33449 21.5392 -91.014 7.88586 -91.0141 -35.6085 GPRESSAVG: 394800 9.81061 3.90867 7.17219 3.98141 19.808 -89.1655 6.17315 -91.149 -35.246 TIMING: 394800 CPU: 1167.76, 0.00291705/step Wall: 1167.76, 0.00291705/step, 3.73155 hours remaining, 202.359375 MB of memory in use. ENERGY: 394800 735.4395 2142.6034 1913.4446 113.1669 -206637.7700 18000.1997 0.0000 0.0000 34017.0951 -149715.8208 297.0798 -183732.9159 -149618.8331 298.0072 59.0405 88.5942 556694.4649 -1.8792 -1.8758 PRESSURE: 395000 173.103 24.4174 72.8984 24.4173 -275.078 -125.079 72.899 -125.077 161.245 GPRESSURE: 395000 161.947 27.3587 33.8969 -22.4234 -213.676 -180.708 89.2423 -85.1162 203.979 PRESSAVG: 395000 11.4937 12.3426 36.2723 12.3426 -17.2883 -3.0877 36.2723 -3.08774 28.5887 GPRESSAVG: 395000 10.13 12.8048 36.499 11.6796 -16.5653 -6.57251 38.2584 -2.59323 29.4714 TIMING: 395000 CPU: 1168.35, 0.00295062/step Wall: 1168.35, 0.00295062/step, 3.77433 hours remaining, 202.359375 MB of memory in use. ENERGY: 395000 774.1774 2067.6143 1924.1036 116.7584 -206845.4238 18071.2754 0.0000 0.0000 34010.9236 -149880.5712 297.0259 -183891.4948 -149782.8883 297.5929 19.7564 50.7499 556736.6612 7.5980 7.6787 PRESSURE: 395200 -20.1955 -52.0562 -14.4481 -52.0563 -262.348 37.0139 -14.4484 37.013 70.975 GPRESSURE: 395200 -26.0447 -165.861 -29.5009 33.6439 -233.307 -58.4909 -25.4342 36.1294 148.222 PRESSAVG: 395200 -32.843 -3.87122 -19.3711 -3.87121 -36.6708 4.38319 -19.3712 4.38312 65.0653 GPRESSAVG: 395200 -31.0502 -4.21736 -20.3478 -3.60507 -37.2492 6.4809 -20.9449 3.36348 63.8719 TIMING: 395200 CPU: 1168.94, 0.00294222/step Wall: 1168.94, 0.00294222/step, 3.76342 hours remaining, 202.359375 MB of memory in use. ENERGY: 395200 722.7938 2111.8800 1952.3606 110.7854 -206571.7267 17763.8704 0.0000 0.0000 34135.0495 -149774.9870 298.1099 -183910.0365 -149674.9323 297.2997 -70.5229 -37.0433 556975.4006 -1.4828 -1.4759 PRESSURE: 395400 -27.1324 -32.0807 90.1948 -32.08 -128.714 18.4746 90.1949 18.4753 182.249 GPRESSURE: 395400 -32.0388 37.325 74.4905 -64.4354 -91.8179 61.5322 81.9799 57.8127 251.445 PRESSAVG: 395400 -12.5056 68.1728 -22.285 68.1729 -31.7784 7.81387 -22.2849 7.81406 97.9236 GPRESSAVG: 395400 -12.6857 67.5029 -20.7051 68.9253 -31.83 8.50642 -20.1876 9.6592 98.8501 TIMING: 395400 CPU: 1169.53, 0.00295227/step Wall: 1169.53, 0.00295227/step, 3.77611 hours remaining, 202.359375 MB of memory in use. ENERGY: 395400 753.5525 2051.0695 1942.6000 117.2300 -206627.0793 17938.1848 0.0000 0.0000 34092.6952 -149731.7472 297.7400 -183824.4425 -149637.4066 298.2537 8.8009 42.5293 555987.4466 17.8799 18.1114 PRESSURE: 395600 -232.11 70.472 -282.96 70.4725 -109.847 89.6951 -282.961 89.6939 61.6353 GPRESSURE: 395600 -209.853 32.035 -319.558 94.4003 -41.2989 148.756 -187.83 141.672 63.5969 PRESSAVG: 395600 -40.3026 -2.36631 -23.7457 -2.36639 27.7354 -39.726 -23.7456 -39.726 5.83347 GPRESSAVG: 395600 -40.4399 0.399557 -24.6778 -4.00439 28.7631 -40.524 -23.5566 -40.0896 5.35455 TIMING: 395600 CPU: 1170.12, 0.00295866/step Wall: 1170.12, 0.00295866/step, 3.78412 hours remaining, 202.359375 MB of memory in use. ENERGY: 395600 740.3588 2100.2043 1959.9493 111.3486 -206352.8745 17814.1653 0.0000 0.0000 34062.8031 -149564.0451 297.4789 -183626.8482 -149467.6989 297.8299 -93.4405 -62.5183 557479.6342 -2.2446 -2.1074 PRESSURE: 395800 -144.974 -27.8846 88.2957 -27.8852 163.482 52.267 88.2969 52.2667 -124.251 GPRESSURE: 395800 -129.087 -17.618 106.631 -7.86034 211.785 74.5572 91.4172 -7.0865 -97.3793 PRESSAVG: 395800 -28.1287 -46.0328 -23.2356 -46.0328 -7.67824 -38.7636 -23.2354 -38.7637 45.0825 GPRESSAVG: 395800 -29.0083 -46.8174 -21.7379 -44.6222 -7.44266 -39.529 -25.3207 -40.624 45.4014 TIMING: 395800 CPU: 1170.71, 0.00296078/step Wall: 1170.71, 0.00296078/step, 3.78668 hours remaining, 202.359375 MB of memory in use. ENERGY: 395800 751.7619 2055.4088 1931.5736 127.4110 -206026.6779 17674.6953 0.0000 0.0000 34162.1921 -149323.6351 298.3469 -183485.8272 -149232.9427 298.2027 -35.2479 -4.8935 555945.1404 3.0919 2.9835 PRESSURE: 396000 19.1049 -114.149 -58.8393 -114.149 226.005 -285.765 -58.8399 -285.766 78.5055 GPRESSURE: 396000 111.74 -94.239 -143.587 -52.0578 269.404 -355.63 -34.3124 -153.787 45.2171 PRESSAVG: 396000 50.0885 -47.4937 57.9842 -47.4936 14.7083 -25.2602 57.9842 -25.2603 -102.691 GPRESSAVG: 396000 49.945 -46.9918 56.3645 -48.2804 15.9341 -22.6807 59.746 -25.1837 -103.577 TIMING: 396000 CPU: 1171.3, 0.00295227/step Wall: 1171.3, 0.00295227/step, 3.77563 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: 396000 760.0479 2068.1454 1963.1269 106.7725 -206476.1166 18029.4495 0.0000 0.0000 34210.4893 -149338.0852 298.7687 -183548.5744 -149238.6530 299.2009 107.8719 142.1205 556918.2361 -12.6315 -12.5660 PRESSURE: 396200 98.7387 27.8658 52.7783 27.8669 -13.9199 79.9478 52.7798 79.9474 -36.1561 GPRESSURE: 396200 118.613 -36.3702 95.9399 54.4139 47.2611 133.646 -66.2803 21.8301 -29.7264 PRESSAVG: 396200 -53.3387 37.9911 -17.8607 37.9912 55.1338 -42.0624 -17.8607 -42.0624 10.7724 GPRESSAVG: 396200 -52.7944 36.681 -16.319 36.4783 54.5908 -44.0616 -19.3785 -41.2765 10.3123 TIMING: 396200 CPU: 1171.9, 0.00295917/step Wall: 1171.9, 0.00295917/step, 3.78429 hours remaining, 202.359375 MB of memory in use. ENERGY: 396200 729.8223 2053.8464 1961.1229 110.7839 -206044.6368 17519.4721 0.0000 0.0000 34386.1741 -149283.4150 300.3030 -183669.5891 -149185.5995 299.0182 16.2209 45.3826 555614.2845 4.1892 4.0362 LDB: ============= START OF LOAD BALANCING ============== 1175.32 LDB: ============== END OF LOAD BALANCING =============== 1175.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1175.32 LDB: ============= START OF LOAD BALANCING ============== 1175.62 LDB: Largest compute 4848 load 0.029346 is 24.9% of average load 0.117856 LDB: Average compute 0.001728 is 1.5% of average load 0.117856 LDB: TIME 1175.62 LOAD: AVG 0.117856 MAX 0.198376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 202.672 MB LDB: TIME 1175.62 LOAD: AVG 0.117856 MAX 0.198376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.699 MB LDB: TIME 1175.62 LOAD: AVG 0.117856 MAX 0.198376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 202.699 MB LDB: ============== END OF LOAD BALANCING =============== 1175.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1175.63 PRESSURE: 396400 -121.995 -37.7916 -14.5665 -37.7926 -375.393 27.221 -14.567 27.2192 -55.9215 GPRESSURE: 396400 -68.5404 -39.8 -41.264 -5.47473 -297.429 89.8583 -12.4787 24.9507 -96.1785 PRESSAVG: 396400 4.59674 -15.0171 3.67156 -15.0171 59.3109 -19.7886 3.67154 -19.7885 -9.41159 GPRESSAVG: 396400 5.40683 -15.7461 2.84666 -14.5037 58.8434 -17.477 3.29524 -20.5015 -9.88341 TIMING: 396400 CPU: 1172.5, 0.00301446/step Wall: 1172.5, 0.00301446/step, 3.85483 hours remaining, 204.148438 MB of memory in use. ENERGY: 396400 761.7215 2092.6144 1944.1080 113.4227 -205920.6977 17438.6385 0.0000 0.0000 34222.7744 -149347.4183 298.8760 -183570.1927 -149247.4811 299.4974 -184.4364 -154.0493 556617.1071 18.1653 18.1223 PRESSURE: 396600 -164.86 -0.705873 40.9576 -0.705479 -226.048 -21.6331 40.9579 -21.6331 -73.3628 GPRESSURE: 396600 -114.645 22.2456 18.1054 -79.3616 -185.845 -65.8154 -3.10957 -25.098 -67.3357 PRESSAVG: 396600 63.4573 10.8088 15.8152 10.8088 -101.848 68.1159 15.8151 68.1159 13.178 GPRESSAVG: 396600 61.0749 10.1456 13.8483 13.2507 -101.471 66.6962 17.5925 68.9785 15.223 TIMING: 396600 CPU: 1173.09, 0.0029716/step Wall: 1173.09, 0.0029716/step, 3.79985 hours remaining, 204.148438 MB of memory in use. ENERGY: 396600 755.5006 2039.2260 1980.5777 108.8012 -205923.9604 17439.1716 0.0000 0.0000 34214.0596 -149386.6237 298.7999 -183600.6834 -149288.2479 298.2512 -154.7568 -122.6087 556630.3582 -8.4044 -8.3911 PRESSURE: 396800 29.5625 63.2341 41.8333 63.2325 -241.677 69.6537 41.8331 69.6551 -84.6419 GPRESSURE: 396800 64.792 138.919 86.8951 29 -234.674 39.6223 28.8858 73.326 -29.0935 PRESSAVG: 396800 -15.4677 20.3374 -5.83607 20.3373 7.79845 24.5266 -5.83619 24.5266 47.4677 GPRESSAVG: 396800 -13.8214 21.7818 -4.73862 18.3208 8.21109 23.2203 -6.45412 25.2772 45.9791 TIMING: 396800 CPU: 1173.69, 0.00296706/step Wall: 1173.69, 0.00296706/step, 3.79388 hours remaining, 204.148438 MB of memory in use. ENERGY: 396800 752.6397 2086.0871 1958.6545 122.3418 -205925.7366 17460.5136 0.0000 0.0000 34180.7033 -149364.7966 298.5086 -183545.4999 -149264.9200 299.3285 -98.9188 -66.3253 556290.2702 13.2662 13.4563 PRESSURE: 397000 195.436 -28.44 -191.578 -28.4407 -273.314 86.8658 -191.579 86.8652 -92.8445 GPRESSURE: 397000 171.907 10.3691 -243.37 -66.9881 -186.921 153.209 -214.583 38.0533 -54.2982 PRESSAVG: 397000 105.043 21.3136 -4.95994 21.3136 -53.3036 52.0858 -4.95981 52.0858 -38.7132 GPRESSAVG: 397000 104.932 21.8711 -1.30891 20.1418 -53.0442 52.2712 -8.6527 51.2045 -38.6546 TIMING: 397000 CPU: 1174.28, 0.00295729/step Wall: 1174.28, 0.00295729/step, 3.78123 hours remaining, 204.148438 MB of memory in use. ENERGY: 397000 775.0005 2114.6974 1958.2059 114.1889 -206541.9626 17829.9418 0.0000 0.0000 34407.7936 -149342.1345 300.4918 -183749.9280 -149255.9385 299.1899 -56.9074 -23.1043 556377.9030 4.3421 4.4110 PRESSURE: 397200 -145.745 32.2437 23.2045 32.2448 50.8567 109.624 23.2049 109.623 91.3007 GPRESSURE: 397200 -71.8291 67.0637 -58.4933 52.9874 40.6026 132.467 33.1074 54.8207 122.31 PRESSAVG: 397200 -29.4453 -41.9955 -37.4619 -41.9955 -24.5412 10.0587 -37.4618 10.0587 56.0556 GPRESSAVG: 397200 -30.7518 -41.5129 -41.9536 -39.7956 -24.9166 10.8287 -34.5714 7.7849 57.7233 TIMING: 397200 CPU: 1174.87, 0.00297356/step Wall: 1174.87, 0.00297356/step, 3.80187 hours remaining, 204.148438 MB of memory in use. ENERGY: 397200 763.2647 2069.6409 1945.0348 118.1017 -206688.5550 18017.9694 0.0000 0.0000 34205.9478 -149568.5957 298.7290 -183774.5435 -149472.8020 299.1400 -1.1960 30.3613 557578.3792 0.6897 0.6850 PRESSURE: 397400 -155.973 67.1864 -134.647 67.1854 16.6226 -74.901 -134.647 -74.8998 -166.366 GPRESSURE: 397400 -92.9081 87.5526 -245.399 51.1372 -11.3951 -34.5419 -168.852 -111.098 -118.699 PRESSAVG: 397400 -36.0496 29.6594 38.8549 29.6594 -25.2663 -1.18473 38.855 -1.18477 24.8381 GPRESSAVG: 397400 -34.5139 29.4248 41.1844 28.3365 -25.795 -1.17902 39.1787 -0.418986 23.8047 TIMING: 397400 CPU: 1175.46, 0.0029448/step Wall: 1175.46, 0.0029448/step, 3.76492 hours remaining, 204.214844 MB of memory in use. ENERGY: 397400 741.4266 2077.5796 1937.1346 120.5577 -205991.0656 17573.0450 0.0000 0.0000 33920.4370 -149620.8851 296.2356 -183541.3221 -149523.1020 297.7666 -101.9054 -74.3341 557332.3731 -12.1593 -12.1681 PRESSURE: 397600 -40.7939 -13.4237 -156.265 -13.4221 93.5991 -17.138 -156.264 -17.1387 59.0359 GPRESSURE: 397600 84.0245 36.9245 -140.489 -36.7475 75.4104 -13.165 -165.996 15.0587 55.6769 PRESSAVG: 397600 -27.221 55.5896 -51.1104 55.5897 18.6452 -12.8893 -51.1105 -12.8893 28.2155 GPRESSAVG: 397600 -25.7101 56.2165 -51.8601 54.9302 17.6633 -13.1292 -52.9675 -10.0268 27.3848 TIMING: 397600 CPU: 1176.05, 0.00292924/step Wall: 1176.05, 0.00292924/step, 3.74487 hours remaining, 204.214844 MB of memory in use. ENERGY: 397600 738.6243 2067.7124 1990.6082 102.4136 -206941.7436 18055.4842 0.0000 0.0000 34362.2877 -149624.6133 300.0944 -183986.9010 -149523.2587 298.0945 37.2803 71.7039 556626.6262 6.5466 6.4460 PRESSURE: 397800 -125.796 -26.1627 3.49463 -26.1617 -324.632 100.398 3.49484 100.397 -11.355 GPRESSURE: 397800 -65.0307 19.5303 4.73812 -131.399 -310.502 141.837 -37.6766 -0.855191 3.39321 PRESSAVG: 397800 -1.65312 12.5471 -65.5306 12.5471 40.661 -2.86398 -65.5306 -2.86402 14.0382 GPRESSAVG: 397800 -3.823 11.3054 -65.1559 13.0979 42.4462 -1.80757 -63.4609 -4.78315 14.284 TIMING: 397800 CPU: 1176.63, 0.00292943/step Wall: 1176.63, 0.00292943/step, 3.74494 hours remaining, 204.214844 MB of memory in use. ENERGY: 397800 751.0863 2122.1946 1929.3265 111.0323 -206031.1954 17571.3390 0.0000 0.0000 34136.4732 -149409.7435 298.1223 -183546.2167 -149315.7148 297.9953 -153.9275 -124.0465 558631.0357 17.6820 17.6357 PRESSURE: 398000 345.646 108.952 -68.3133 108.952 80.4891 -54.6553 -68.3131 -54.6551 -44.7003 GPRESSURE: 398000 350.654 85.781 -51.0693 97.3993 137.695 -101.21 -72.9422 -38.4982 -3.57405 PRESSAVG: 398000 75.3452 38.8679 -34.8886 38.8678 -18.1092 52.3639 -34.8887 52.3639 -34.9086 GPRESSAVG: 398000 75.5955 37.4274 -33.9682 39.6839 -19.9812 51.2256 -37.1215 52.2566 -33.7414 TIMING: 398000 CPU: 1177.23, 0.00296371/step Wall: 1177.23, 0.00296371/step, 3.78861 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: 398000 717.7857 2006.3947 1926.2279 114.8247 -206651.3330 18157.3186 0.0000 0.0000 34266.7964 -149461.9850 299.2605 -183728.7813 -149365.0464 298.5605 127.1449 161.5914 557450.2808 7.4424 7.2910 PRESSURE: 398200 -68.8808 -54.6987 -64.8034 -54.6987 218.192 -27.3323 -64.8044 -27.3337 -111.589 GPRESSURE: 398200 -67.3626 -47.7714 -170.496 23.4269 244.047 17.2033 -27.6722 -167.219 -41.7559 PRESSAVG: 398200 38.3667 -30.5205 -62.2809 -30.5205 1.83166 16.8946 -62.2808 16.8946 -17.5935 GPRESSAVG: 398200 38.8936 -30.8757 -62.9057 -30.1167 2.4207 16.7037 -61.574 17.8306 -19.1973 TIMING: 398200 CPU: 1177.81, 0.00293836/step Wall: 1177.81, 0.00293836/step, 3.75604 hours remaining, 204.214844 MB of memory in use. ENERGY: 398200 756.3764 2107.0190 1949.1244 118.2776 -206453.2913 17968.0680 0.0000 0.0000 34235.0400 -149319.3860 298.9831 -183554.4260 -149228.1490 298.0335 12.5742 44.9763 557186.7212 7.5350 7.3723 PRESSURE: 398400 130.645 57.0827 -33.6704 57.0816 41.9222 60.8361 -33.669 60.8373 139.789 GPRESSURE: 398400 146.202 21.9037 59.2819 64.7804 57.493 38.6322 -89.1357 -35.9692 198.698 PRESSAVG: 398400 -27.2206 -36.0225 -36.726 -36.0225 54.4472 14.8283 -36.726 14.8282 -35.8342 GPRESSAVG: 398400 -27.5494 -34.1643 -36.2434 -36.3169 53.8764 15.9234 -36.0325 13.0836 -34.5737 TIMING: 398400 CPU: 1178.4, 0.00293828/step Wall: 1178.4, 0.00293828/step, 3.75577 hours remaining, 204.214844 MB of memory in use. ENERGY: 398400 737.8621 2155.7574 1933.4034 109.5261 -206742.8479 18074.1797 0.0000 0.0000 34370.0329 -149362.0864 300.1620 -183732.1193 -149266.0271 298.8963 104.1185 134.1312 555838.4268 -2.8692 -2.7489 PRESSURE: 398600 -115.46 340.916 -112.558 340.917 -326.609 -135.134 -112.558 -135.134 -125.325 GPRESSURE: 398600 -74.7572 310.173 -137.435 327.566 -306.942 -123.53 -89.3571 -64.5989 -100.171 PRESSAVG: 398600 65.5128 73.2241 -93.0385 73.2241 -56.3053 -22.4784 -93.0385 -22.4784 -50.8166 GPRESSAVG: 398600 65.4765 72.6495 -93.9378 73.017 -56.9524 -22.5459 -92.6962 -21.3386 -50.5653 TIMING: 398600 CPU: 1178.99, 0.00294888/step Wall: 1178.99, 0.00294888/step, 3.76916 hours remaining, 204.214844 MB of memory in use. ENERGY: 398600 747.5864 2137.2894 1961.1315 112.9062 -205971.9566 17552.5459 0.0000 0.0000 34105.5852 -149354.9120 297.8526 -183460.4972 -149254.1395 298.6630 -189.1314 -160.6235 558065.6697 -13.8697 -14.0137 PRESSURE: 398800 -217.783 -99.3371 53.7246 -99.3365 -37.6738 -102.962 53.7243 -102.963 -9.36977 GPRESSURE: 398800 -152.71 44.0853 19.7401 -129.624 -78.699 -118.021 2.96055 -127.037 68.5388 PRESSAVG: 398800 -10.8583 64.8311 -14.6425 64.831 -1.42454 -13.723 -14.6424 -13.723 41.1386 GPRESSAVG: 398800 -10.4507 64.0734 -12.3205 65.4153 -1.04126 -13.8225 -16.373 -13.5791 40.2384 TIMING: 398800 CPU: 1179.58, 0.00294614/step Wall: 1179.58, 0.00294614/step, 3.76549 hours remaining, 204.214844 MB of memory in use. ENERGY: 398800 747.8054 2135.7804 1976.6918 113.3500 -206253.2100 17678.3719 0.0000 0.0000 34316.7357 -149284.4748 299.6966 -183601.2105 -149187.3127 298.3060 -88.2756 -54.2900 557630.7593 9.6186 9.5821 PRESSURE: 399000 119.756 123.365 -20.6436 123.364 57.0803 -26.0934 -20.643 -26.0915 144.026 GPRESSURE: 399000 152.372 99.153 -2.5771 137.683 72.1034 -132.21 -24.6827 20.6369 182.748 PRESSAVG: 399000 -41.9406 30.8995 46.714 30.8994 -16.9447 -18.0306 46.714 -18.0306 33.3628 GPRESSAVG: 399000 -42.0615 29.7516 45.2771 31.161 -17.1124 -18.1242 45.7116 -19.355 33.7036 TIMING: 399000 CPU: 1180.17, 0.0029493/step Wall: 1180.17, 0.0029493/step, 3.76936 hours remaining, 204.214844 MB of memory in use. ENERGY: 399000 735.8974 2076.3870 1978.3073 122.7464 -206397.2800 17882.5817 0.0000 0.0000 34279.8265 -149321.5337 299.3743 -183601.3602 -149224.9544 299.0731 106.9539 135.7413 556661.8770 -8.5075 -8.4901 PRESSURE: 399200 -110.66 -65.69 142.219 -65.6902 -28.3943 68.405 142.219 68.4046 305.766 GPRESSURE: 399200 -39.901 -92.4268 139.516 -3.09778 5.60258 114.194 150.185 102.112 295.344 PRESSAVG: 399200 -32.0508 3.97219 -21.6209 3.97225 -31.9974 -38.7223 -21.6209 -38.7222 79.8299 GPRESSAVG: 399200 -32.6264 5.74294 -22.8172 2.77753 -32.0534 -37.8498 -18.7693 -39.2195 79.8081 TIMING: 399200 CPU: 1180.76, 0.00296458/step Wall: 1180.76, 0.00296458/step, 3.78873 hours remaining, 204.214844 MB of memory in use. ENERGY: 399200 744.4030 2084.5147 1964.8473 123.0632 -206514.7120 17955.7828 0.0000 0.0000 34282.3711 -149359.7299 299.3965 -183642.1010 -149258.2155 299.2972 55.5707 87.0152 555891.3195 5.2605 5.0427 PRESSURE: 399400 279.936 73.605 -30.311 73.6054 279.494 -20.445 -30.3121 -20.4441 12.2524 GPRESSURE: 399400 298.913 36.0379 -27.0444 87.254 262.855 53.8906 -60.806 -20.4235 90.6663 PRESSAVG: 399400 -43.6976 71.5111 -27.2329 71.5112 -4.35849 -14.5416 -27.2329 -14.5418 10.5881 GPRESSAVG: 399400 -44.7442 69.9532 -23.6542 70.9542 -3.53228 -13.5707 -30.1114 -14.8318 11.1767 TIMING: 399400 CPU: 1181.36, 0.00298022/step Wall: 1181.36, 0.00298022/step, 3.80856 hours remaining, 204.214844 MB of memory in use. ENERGY: 399400 732.6877 2100.6741 1958.3824 102.5539 -206713.6655 17985.7799 0.0000 0.0000 34392.0909 -149441.4966 300.3547 -183833.5875 -149347.0399 299.0980 190.5610 217.4780 554987.2373 -12.4894 -12.3666 PRESSURE: 399600 -139.049 -71.989 -86.4125 -71.9908 4.66841 4.96751 -86.4124 4.96808 -71.2003 GPRESSURE: 399600 -87.5977 -45.1429 -144.116 -107.693 103.35 -27.2664 -120.41 77.0082 -125.301 PRESSAVG: 399600 4.91413 -25.7384 22.4462 -25.7384 20.6556 57.2801 22.4461 57.2801 49.6757 GPRESSAVG: 399600 5.33054 -24.9334 17.7602 -24.2506 20.93 53.9254 24.1213 60.277 49.0479 TIMING: 399600 CPU: 1181.95, 0.00295883/step Wall: 1181.95, 0.00295883/step, 3.78106 hours remaining, 204.214844 MB of memory in use. ENERGY: 399600 781.5722 2086.3115 1943.5425 117.9458 -206333.2103 17837.0487 0.0000 0.0000 34309.0589 -149257.7306 299.6295 -183566.7895 -149157.6715 300.0330 -68.5271 -36.5160 557200.4291 25.0818 25.1028 PRESSURE: 399800 66.6617 -76.1947 178.743 -76.1939 -69.5934 10.1319 178.743 10.1327 -192.713 GPRESSURE: 399800 121.078 -141.116 260.246 29.3113 -41.4191 4.04605 71.5824 -20.0186 -186.142 PRESSAVG: 399800 -4.01822 29.9245 -33.1396 29.9244 22.985 20.8796 -33.1396 20.8796 -17.0302 GPRESSAVG: 399800 -3.01709 29.0787 -31.1657 30.2467 21.9573 21.3786 -32.7507 18.4837 -18.0087 TIMING: 399800 CPU: 1182.54, 0.00293159/step Wall: 1182.54, 0.00293159/step, 3.74608 hours remaining, 204.214844 MB of memory in use. ENERGY: 399800 729.9107 2058.4134 1946.0679 118.3088 -206166.3212 17844.8108 0.0000 0.0000 34259.4762 -149209.3335 299.1965 -183468.8097 -149105.8329 299.2374 -65.2148 -35.4946 557343.8405 0.6455 0.3105 PRESSURE: 400000 -109.664 44.8857 19.9051 44.8859 -263.251 -165.997 19.9047 -165.998 27.9079 GPRESSURE: 400000 -97.5992 6.05397 18.8193 7.82408 -263.547 -158.483 6.65234 -139.364 104.534 PRESSAVG: 400000 41.8053 22.1725 -33.3205 22.1725 -43.0572 -0.779139 -33.3206 -0.779064 1.25092 GPRESSAVG: 400000 41.6734 22.7575 -33.1128 20.4468 -42.7292 1.9741 -34.1764 -1.24123 1.01144 TIMING: 400000 CPU: 1183.13, 0.00295505/step Wall: 1183.13, 0.00295505/step, 3.77589 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: 400000 760.3405 2086.6502 1930.5241 114.7773 -206267.2733 17724.5036 0.0000 0.0000 34458.4957 -149191.9820 300.9346 -183650.4777 -149098.5202 299.1391 -115.0024 -85.5373 557313.5011 -0.0003 -0.0148 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 400000 WRITING COORDINATES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART COORDINATES The last position output (seq=400000) takes 0.009 seconds, 204.215 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 400000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=400000) takes 0.004 seconds, 205.500 MB of memory in use PRESSURE: 400200 -31.0548 -73.6619 95.4251 -73.6605 54.451 42.384 95.4257 42.3832 -253.717 GPRESSURE: 400200 -5.57697 -51.9612 -35.0936 -114.786 168.594 -0.390212 217.45 52.5275 -282.27 PRESSAVG: 400200 46.2291 2.36825 38.6062 2.36834 17.2142 9.43808 38.6062 9.43808 -70.3703 GPRESSAVG: 400200 46.5291 1.92289 36.6626 4.38659 17.0142 6.18944 38.5081 11.9092 -70.6862 TIMING: 400200 CPU: 1183.73, 0.00302943/step Wall: 1183.73, 0.00302943/step, 3.87077 hours remaining, 205.519531 MB of memory in use. ENERGY: 400200 725.2091 2104.6453 1939.3720 107.4652 -206111.5795 17703.8888 0.0000 0.0000 34394.4503 -149136.5487 300.3753 -183530.9990 -149040.9821 299.6577 -76.7736 -39.7511 557648.1440 -2.3090 -2.3810 LDB: ============= START OF LOAD BALANCING ============== 1187.16 LDB: ============== END OF LOAD BALANCING =============== 1187.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1187.16 LDB: ============= START OF LOAD BALANCING ============== 1187.46 LDB: Largest compute 4848 load 0.031428 is 26.7% of average load 0.117768 LDB: Average compute 0.001732 is 1.5% of average load 0.117768 LDB: TIME 1187.46 LOAD: AVG 0.117768 MAX 0.195982 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.977 MB LDB: TIME 1187.46 LOAD: AVG 0.117768 MAX 0.195982 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.039 MB LDB: TIME 1187.46 LOAD: AVG 0.117768 MAX 0.195982 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1187.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1187.47 PRESSURE: 400400 -155.592 4.36351 22.5508 4.36395 -86.9578 89.2126 22.549 89.2125 -21.4446 GPRESSURE: 400400 -96.2907 72.7164 103.257 -24.8456 -81.12 107.825 15.8521 135.127 18.1566 PRESSAVG: 400400 -37.7576 -47.8605 22.9806 -47.8605 51.8657 -7.06917 22.9806 -7.06939 1.46339 GPRESSAVG: 400400 -37.0691 -46.993 26.6022 -49.93 51.0936 -5.79708 21.8703 -9.49584 1.86291 TIMING: 400400 CPU: 1184.34, 0.0030143/step Wall: 1184.34, 0.0030143/step, 3.85127 hours remaining, 204.746094 MB of memory in use. ENERGY: 400400 748.1545 2091.3331 1948.0753 115.1612 -206139.5079 17767.6902 0.0000 0.0000 34226.4610 -149242.6325 298.9082 -183469.0935 -149145.3139 299.4768 -87.9981 -53.0847 557596.7120 5.1905 5.2958 PRESSURE: 400600 -178.944 -33.0802 98.1752 -33.0807 -261.21 104.09 98.1746 104.091 -196.116 GPRESSURE: 400600 -116.351 -48.7726 58.9194 -55.2093 -245.389 150.746 94.8113 28.9852 -182.957 PRESSAVG: 400600 1.54184 -48.8558 25.832 -48.8558 3.96099 47.9998 25.832 47.9998 2.78484 GPRESSAVG: 400600 0.195146 -49.8988 25.1847 -46.6599 2.96546 50.4898 25.7461 46.9715 4.74485 TIMING: 400600 CPU: 1184.93, 0.00295639/step Wall: 1184.93, 0.00295639/step, 3.77712 hours remaining, 204.945312 MB of memory in use. ENERGY: 400600 744.6800 2157.8201 1944.1564 116.0632 -206178.1658 17713.6502 0.0000 0.0000 34242.3803 -149259.4154 299.0472 -183501.7957 -149166.3049 299.0770 -212.0902 -181.5655 557055.8242 2.7626 2.6352 PRESSURE: 400800 55.7095 45.6818 46.912 45.6814 -120.378 68.6902 46.9114 68.6902 77.6181 GPRESSURE: 400800 130.769 35.248 -22.3693 104.361 -56.4662 63.6283 66.9516 126.83 41.2903 PRESSAVG: 400800 19.8527 -50.5275 31.9641 -50.5275 -42.9205 39.1491 31.964 39.1491 76.4443 GPRESSAVG: 400800 20.2788 -49.3781 28.2163 -52.5313 -42.9439 37.2741 34.9452 39.7635 76.4254 TIMING: 400800 CPU: 1185.52, 0.0029447/step Wall: 1185.52, 0.0029447/step, 3.76201 hours remaining, 204.945312 MB of memory in use. ENERGY: 400800 757.0561 2100.5411 1967.2091 119.6673 -206065.5860 17678.1220 0.0000 0.0000 34249.9121 -149193.0784 299.1130 -183442.9905 -149103.0031 299.2685 4.3164 38.5312 557025.2704 17.7922 17.9201 PRESSURE: 401000 22.5468 -142.894 129.806 -142.894 300.377 73.4767 129.805 73.4766 -12.9869 GPRESSURE: 401000 61.908 -65.6917 153.919 -158.032 343.788 81.5321 148.726 114.653 2.2079 PRESSAVG: 401000 0.703829 -48.5069 1.09183 -48.5069 13.3581 -11.3133 1.09185 -11.3132 -15.9086 GPRESSAVG: 401000 1.88123 -47.6544 3.13761 -48.2423 12.9241 -12.1406 -0.886116 -11.0353 -16.2918 TIMING: 401000 CPU: 1186.11, 0.0029884/step Wall: 1186.11, 0.0029884/step, 3.81769 hours remaining, 204.945312 MB of memory in use. ENERGY: 401000 755.6585 2133.3345 1938.5998 111.4014 -206270.7839 17875.9198 0.0000 0.0000 34281.7257 -149174.1442 299.3908 -183455.8699 -149073.9275 299.8195 103.3121 135.9679 556466.0954 -0.6156 -0.4955 PRESSURE: 401200 63.7613 149.559 70.2219 149.558 163.4 249.742 70.2213 249.743 255.615 GPRESSURE: 401200 65.4926 140.232 151.76 167.807 186.786 214.713 -2.35276 177.337 337.827 PRESSAVG: 401200 26.3506 -30.4149 43.9164 -30.415 30.3704 -4.32063 43.9165 -4.32067 -24.9436 GPRESSAVG: 401200 25.7544 -33.0656 45.1495 -28.7854 30.7807 -4.03504 44.4918 -4.18833 -24.2754 TIMING: 401200 CPU: 1186.71, 0.00296724/step Wall: 1186.71, 0.00296724/step, 3.79048 hours remaining, 204.945312 MB of memory in use. ENERGY: 401200 728.7129 2037.3841 1963.1692 116.7005 -206252.1619 17937.3348 0.0000 0.0000 34303.5097 -149165.3509 299.5811 -183468.8605 -149072.2154 299.2582 160.9255 196.7017 557334.1284 10.5924 10.7533 PRESSURE: 401400 24.0364 121.049 90.3444 121.048 47.6662 -39.7482 90.3444 -39.7467 73.1322 GPRESSURE: 401400 96.1575 30.9584 130.317 130.782 35.3242 -17.6594 32.2454 -152.394 109.368 PRESSAVG: 401400 -66.8284 -12.4568 31.8749 -12.4567 37.4795 14.7405 31.875 14.7405 -9.16204 GPRESSAVG: 401400 -66.8184 -11.1248 30.2212 -13.5599 38.4187 14.2049 30.4296 14.1093 -9.61507 TIMING: 401400 CPU: 1187.3, 0.00295493/step Wall: 1187.3, 0.00295493/step, 3.7746 hours remaining, 204.945312 MB of memory in use. ENERGY: 401400 719.8922 2084.8662 1974.1560 106.1574 -206215.1785 17760.7565 0.0000 0.0000 34285.5056 -149283.8446 299.4238 -183569.3503 -149188.9827 299.5008 48.2783 80.2832 555656.6322 -12.8370 -12.6716 PRESSURE: 401600 118.583 -209.607 14.0336 -209.608 64.642 -198.935 14.0334 -198.933 113.617 GPRESSURE: 401600 100.712 -237.131 -1.97946 -217.862 104.715 -142.005 -45.3914 -220.606 181.729 PRESSAVG: 401600 -36.7114 -22.1601 29.7073 -22.1601 11.9351 -21.736 29.7072 -21.7361 13.5316 GPRESSAVG: 401600 -37.3595 -24.0594 31.0164 -19.1917 12.8534 -19.6466 30.1518 -20.993 13.5287 TIMING: 401600 CPU: 1187.89, 0.00297223/step Wall: 1187.89, 0.00297223/step, 3.79652 hours remaining, 204.945312 MB of memory in use. ENERGY: 401600 728.1482 2064.0151 1965.6859 111.4634 -206439.4954 18035.6250 0.0000 0.0000 34460.9564 -149073.6015 300.9561 -183534.5579 -148977.0133 299.7304 98.9473 129.0518 555967.6456 -3.7482 -3.6591 PRESSURE: 401800 126.269 82.4143 -34.6103 82.4151 8.61428 -35.2353 -34.6102 -35.2345 -10.6283 GPRESSURE: 401800 200.823 65.1858 -42.6291 126.585 68.1139 -79.92 11.9201 -21.087 -45.8544 PRESSAVG: 401800 33.4086 -0.562315 41.7066 -0.562303 9.66945 -8.21824 41.7065 -8.21827 -30.9832 GPRESSAVG: 401800 33.7422 -1.37818 42.0884 -0.592563 7.9013 -10.3485 42.2066 -6.15649 -30.0893 TIMING: 401800 CPU: 1188.49, 0.00299149/step Wall: 1188.49, 0.00299149/step, 3.82097 hours remaining, 204.945312 MB of memory in use. ENERGY: 401800 738.2573 2062.1636 1964.0158 123.0732 -205987.2982 17811.5235 0.0000 0.0000 34322.7863 -148965.4786 299.7494 -183288.2649 -148860.0353 300.3559 41.4185 74.3607 556347.8417 4.0316 3.8514 PRESSURE: 402000 125.976 126.879 -203.719 126.878 -112.185 120.569 -203.719 120.569 -65.8166 GPRESSURE: 402000 195.834 103.311 -146.158 168.15 -91.234 241.311 -211.518 62.8104 -63.2262 PRESSAVG: 402000 29.6115 -15.354 33.401 -15.3539 -5.85905 66.0558 33.401 66.0559 -8.70969 GPRESSAVG: 402000 29.0659 -12.4968 32.8345 -17.5688 -4.28498 65.277 34.2554 63.8533 -9.57003 TIMING: 402000 CPU: 1189.08, 0.00296134/step Wall: 1189.08, 0.00296134/step, 3.78229 hours remaining, 204.945312 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: 402000 728.2444 2063.0688 1952.8113 109.7589 -205985.7412 17602.5913 0.0000 0.0000 34470.5570 -149058.7096 301.0399 -183529.2666 -148955.2757 299.8476 -17.3419 13.7911 555452.5431 5.0143 5.0703 PRESSURE: 402200 -141.103 122.344 -12.6609 122.343 164.993 -169.536 -12.6604 -169.538 14.8264 GPRESSURE: 402200 -104.124 94.7954 -6.03553 73.399 124.201 -178.312 24.5142 -141.947 103.384 PRESSAVG: 402200 0.582475 -22.0899 42.8144 -22.0899 11.8536 -8.31014 42.8145 -8.31005 7.03628 GPRESSAVG: 402200 0.371236 -22.3768 44.1264 -23.3632 11.4607 -5.29562 41.5538 -9.20444 6.93855 TIMING: 402200 CPU: 1189.68, 0.00298455/step Wall: 1189.68, 0.00298455/step, 3.81176 hours remaining, 204.945312 MB of memory in use. ENERGY: 402200 754.0665 2086.0596 1937.4041 112.5432 -206073.8935 17659.3714 0.0000 0.0000 34487.9369 -149036.5118 301.1917 -183524.4487 -148944.6199 300.3849 12.9052 41.1536 555473.5367 6.4908 6.2568 PRESSURE: 402400 8.10852 130.231 -156.34 130.231 -164.193 -69.8369 -156.34 -69.8366 -67.5688 GPRESSURE: 402400 34.312 208.146 -111.028 0.10546 -130.066 -147.73 -162.238 -126.172 -23.403 PRESSAVG: 402400 27.3836 2.46231 -33.5878 2.46236 -66.077 -42.9631 -33.5879 -42.9631 51.6627 GPRESSAVG: 402400 28.0349 1.80369 -35.9723 5.65235 -66.3897 -44.2299 -32.1692 -40.7955 51.7072 TIMING: 402400 CPU: 1190.27, 0.00296318/step Wall: 1190.27, 0.00296318/step, 3.78431 hours remaining, 204.945312 MB of memory in use. ENERGY: 402400 746.1164 2151.1730 1935.0839 104.5607 -205947.0839 17590.8932 0.0000 0.0000 34215.7570 -149203.4997 298.8147 -183419.2566 -149113.8381 299.6203 -74.5511 -39.7191 555993.8214 4.3231 4.4508 PRESSURE: 402600 -36.0313 126.351 51.5967 126.351 -66.5516 -79.2985 51.596 -79.2996 31.9508 GPRESSURE: 402600 15.0858 161.37 88.4867 76.8566 -14.5631 9.56181 33.3422 -118.468 11.9675 PRESSAVG: 402600 -3.25987 10.9627 -15.6368 10.9628 6.12326 -18.8023 -15.6368 -18.8023 -9.59731 GPRESSAVG: 402600 -3.02867 11.3739 -15.2029 8.85962 6.33502 -19.1817 -17.6074 -20.7063 -10.1777 TIMING: 402600 CPU: 1190.87, 0.00297253/step Wall: 1190.87, 0.00297253/step, 3.79609 hours remaining, 204.945312 MB of memory in use. ENERGY: 402600 745.4125 2164.0449 1952.6090 118.7830 -205520.3959 17556.4713 0.0000 0.0000 33962.4075 -149020.6677 296.6022 -182983.0752 -148936.2479 299.4248 -23.5440 4.1634 557563.6249 -2.2446 -2.2905 PRESSURE: 402800 -200.682 35.7094 -66.2997 35.7087 -132.898 27.9826 -66.2999 27.9824 -206.758 GPRESSURE: 402800 -189.694 110.856 -60.2085 -119.216 -96.8012 80.2423 -75.7948 -8.79989 -158.215 PRESSAVG: 402800 -13.0677 11.8119 -57.9349 11.8119 23.3987 10.505 -57.9349 10.505 -46.7037 GPRESSAVG: 402800 -12.4662 10.2121 -57.8877 12.5103 23.121 9.72192 -57.4173 12.2644 -46.0941 TIMING: 402800 CPU: 1191.46, 0.00298016/step Wall: 1191.46, 0.00298016/step, 3.80566 hours remaining, 204.945312 MB of memory in use. ENERGY: 402800 757.8384 2114.4930 1949.0729 106.9277 -205678.9566 17465.7846 0.0000 0.0000 34188.5640 -149096.2759 298.5772 -183284.8399 -149001.6000 299.8897 -180.1125 -148.2368 556890.9994 -12.1242 -11.8131 PRESSURE: 403000 -59.4308 83.4575 -164.802 83.4571 92.2815 91.9929 -164.804 91.9934 -44.539 GPRESSURE: 403000 -22.7449 126.663 -141.571 134.298 129.039 81.6784 -114.471 66.2703 -15.8273 PRESSAVG: 403000 -31.0612 -10.867 -12.4041 -10.867 89.0532 -6.23832 -12.4041 -6.23838 -10.4827 GPRESSAVG: 403000 -30.5059 -9.16861 -13.1621 -10.8429 88.4094 -2.94793 -12.7231 -8.20107 -10.5834 TIMING: 403000 CPU: 1192.05, 0.00294038/step Wall: 1192.05, 0.00294038/step, 3.7547 hours remaining, 204.945312 MB of memory in use. ENERGY: 403000 736.4796 2097.2780 1936.8320 99.6103 -206332.2267 17891.5446 0.0000 0.0000 34460.6788 -149109.8034 300.9537 -183570.4823 -149013.1801 299.4962 -3.8961 30.1557 557884.9559 15.8365 15.7734 PRESSURE: 403200 18.0992 -23.7856 -183.901 -23.7849 -244.672 169.708 -183.902 169.708 -67.3266 GPRESSURE: 403200 -28.232 -52.1601 -102.619 33.1527 -196.759 222.212 -208.506 265.149 21.5105 PRESSAVG: 403200 -36.395 -47.3975 -53.6622 -47.3975 38.9501 -3.2265 -53.6623 -3.22659 -31.9854 GPRESSAVG: 403200 -36.9549 -48.3583 -53.3365 -49.4615 40.5944 -6.02054 -52.6842 -2.36888 -32.7693 TIMING: 403200 CPU: 1192.64, 0.00296126/step Wall: 1192.64, 0.00296126/step, 3.7812 hours remaining, 204.945312 MB of memory in use. ENERGY: 403200 761.1744 2102.2444 1950.0388 121.2599 -205927.4403 17580.7822 0.0000 0.0000 34317.3827 -149094.5578 299.7022 -183411.9405 -149001.3701 299.3917 -97.9666 -67.8269 557347.1160 -9.8101 -9.7099 PRESSURE: 403400 -20.4462 103.72 74.0079 103.719 -106.254 -84.0324 74.0086 -84.0324 -10.8934 GPRESSURE: 403400 15.3074 206.83 45.4068 10.0462 -93.8521 6.94658 75.7315 -142.668 33.9229 PRESSAVG: 403400 7.14065 -4.19824 -54.0763 -4.19822 -21.2603 2.57203 -54.0763 2.57199 31.4218 GPRESSAVG: 403400 7.39332 -2.2749 -52.5403 -3.60599 -20.787 2.00245 -54.9362 5.16418 30.6762 TIMING: 403400 CPU: 1193.24, 0.0029606/step Wall: 1193.24, 0.0029606/step, 3.78019 hours remaining, 204.945312 MB of memory in use. ENERGY: 403400 722.4350 2094.3675 1941.6692 94.8521 -205902.5038 17634.4905 0.0000 0.0000 34398.7213 -149015.9682 300.4126 -183414.6896 -148919.0272 300.0169 -45.8644 -14.8740 557756.7588 5.7674 5.7608 PRESSURE: 403600 -150.991 33.4797 6.30416 33.4778 -276.175 -69.6861 6.30359 -69.686 -465.813 GPRESSURE: 403600 -118.178 29.5415 -14.3727 75.0248 -302.811 -29.4617 3.66999 -62.6714 -372.826 PRESSAVG: 403600 -12.514 -0.0055095 -48.2541 -0.00549945 -7.25909 46.2577 -48.254 46.2577 43.7932 GPRESSAVG: 403600 -12.5235 -0.285702 -50.6603 1.82905 -7.71014 47.9097 -47.7189 44.0906 44.5918 TIMING: 403600 CPU: 1193.83, 0.00294781/step Wall: 1193.83, 0.00294781/step, 3.76369 hours remaining, 204.945312 MB of memory in use. ENERGY: 403600 795.8688 2087.6234 1927.9772 106.8586 -205988.5264 17525.5335 0.0000 0.0000 34581.0785 -148963.5866 302.0052 -183544.6651 -148867.7654 299.8105 -297.6600 -264.6050 557867.9572 8.0067 8.1194 PRESSURE: 403800 -126.008 -73.8287 57.4299 -73.8286 15.0335 106.534 57.43 106.535 -172.784 GPRESSURE: 403800 -49.4339 -101.548 176.268 -71.4214 20.2543 136.198 56.0918 164.596 -153.276 PRESSAVG: 403800 -18.4975 -21.3906 -6.15656 -21.3905 -20.3268 53.9964 -6.15649 53.9962 38.321 GPRESSAVG: 403800 -17.987 -22.5347 -4.32635 -22.937 -19.4956 53.415 -6.41716 55.8114 37.8431 TIMING: 403800 CPU: 1194.42, 0.00296086/step Wall: 1194.42, 0.00296086/step, 3.78019 hours remaining, 204.945312 MB of memory in use. ENERGY: 403800 699.0468 2159.2475 1922.9816 119.2771 -205727.5637 17549.2020 0.0000 0.0000 34429.9497 -148847.8589 300.6853 -183277.8086 -148752.4214 300.1483 -94.5859 -60.8186 558601.5632 -0.1677 0.1202 PRESSURE: 404000 -214.479 -94.2258 -125.299 -94.2255 149.852 58.0513 -125.297 58.0524 57.2496 GPRESSURE: 404000 -148.595 -110.117 -60.294 -107.111 174.882 43.9495 -67.3654 59.6484 56.9111 PRESSAVG: 404000 -28.9071 -11.5197 -38.4866 -11.5196 -8.85295 76.8142 -38.4866 76.8142 7.21609 GPRESSAVG: 404000 -29.7135 -11.6584 -39.3889 -11.2321 -9.7346 75.0734 -36.886 75.3287 9.09345 TIMING: 404000 CPU: 1195.01, 0.00298242/step Wall: 1195.01, 0.00298242/step, 3.80755 hours remaining, 204.945312 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: 404000 777.4085 2093.0541 1951.7542 124.6366 -205933.3637 17829.3267 0.0000 0.0000 34325.7103 -148831.4733 299.7750 -183157.1836 -148741.4594 300.5870 -2.4590 27.7327 558241.8223 -10.1813 -10.1182 PRESSURE: 404200 -251.42 -7.52571 -45.5724 -7.52625 -139.961 91.1934 -45.5726 91.1929 -174.575 GPRESSURE: 404200 -147.098 -34.5205 -75.6894 -5.01336 -108.24 28.3605 16.4257 51.7095 -195.171 PRESSAVG: 404200 -81.0475 -52.8774 -0.784017 -52.8774 50.5323 26.1244 -0.784083 26.1244 43.1713 GPRESSAVG: 404200 -80.2829 -52.4425 1.50704 -54.4501 50.7781 26.6392 -2.11438 26.7948 42.3756 TIMING: 404200 CPU: 1195.61, 0.0029563/step Wall: 1195.61, 0.0029563/step, 3.77404 hours remaining, 204.945312 MB of memory in use. ENERGY: 404200 764.9061 2122.2879 1962.1209 103.1914 -205477.9539 17450.4517 0.0000 0.0000 34303.1390 -148771.8571 299.5778 -183074.9961 -148671.0279 300.8246 -188.6522 -150.1696 557313.5213 4.2187 4.2903 LDB: ============= START OF LOAD BALANCING ============== 1199.03 LDB: ============== END OF LOAD BALANCING =============== 1199.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1199.03 LDB: ============= START OF LOAD BALANCING ============== 1199.32 LDB: Largest compute 4848 load 0.028294 is 24.0% of average load 0.117852 LDB: Average compute 0.001729 is 1.5% of average load 0.117852 LDB: TIME 1199.33 LOAD: AVG 0.117852 MAX 0.193782 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.773 MB LDB: TIME 1199.33 LOAD: AVG 0.117852 MAX 0.193782 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.973 MB LDB: TIME 1199.33 LOAD: AVG 0.117852 MAX 0.193782 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.973 MB LDB: ============== END OF LOAD BALANCING =============== 1199.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1199.33 PRESSURE: 404400 -106.225 -266.491 51.0604 -266.491 -59.1105 -126.017 51.0621 -126.016 119.658 GPRESSURE: 404400 -78.9991 -263.876 -65.0838 -197.965 -97.6718 -107.264 92.5547 -90.8325 230.616 PRESSAVG: 404400 -12.5198 -29.63 12.4665 -29.63 -10.7553 5.02414 12.4665 5.02418 11.2508 GPRESSAVG: 404400 -12.466 -29.1918 8.52888 -28.7492 -10.8328 5.86191 12.5465 4.21636 11.5168 TIMING: 404400 CPU: 1196.2, 0.00298558/step Wall: 1196.2, 0.00298558/step, 3.81125 hours remaining, 205.828125 MB of memory in use. ENERGY: 404400 738.8463 2038.5450 1939.6970 116.6023 -205831.0139 17686.5774 0.0000 0.0000 34399.4957 -148911.2502 300.4194 -183310.7459 -148821.2214 300.1031 -15.2259 17.9817 556736.6400 -4.0081 -3.9273 PRESSURE: 404600 -272.015 -75.4585 15.4269 -75.4587 -17.6297 103.069 15.4281 103.072 -288.985 GPRESSURE: 404600 -235.223 -194.677 0.708291 -56.9842 7.83861 102.558 45.6577 101.946 -258.763 PRESSAVG: 404600 -53.5385 -31.8969 -29.1672 -31.8969 72.9923 1.60757 -29.1672 1.60746 6.71274 GPRESSAVG: 404600 -52.8395 -31.7781 -26.2612 -30.9944 71.6079 1.72481 -28.3387 1.13367 6.73774 TIMING: 404600 CPU: 1196.79, 0.0029338/step Wall: 1196.79, 0.0029338/step, 3.74499 hours remaining, 206.031250 MB of memory in use. ENERGY: 404600 759.1021 2077.9429 1940.7042 104.3289 -205879.9995 17511.8872 0.0000 0.0000 34523.4976 -148962.5366 301.5023 -183486.0342 -148867.6362 299.9228 -192.8766 -162.0493 557874.2233 8.7222 8.5020 PRESSURE: 404800 -33.655 66.6106 123.289 66.6104 -383.336 74.2245 123.289 74.2246 184.153 GPRESSURE: 404800 50.1317 47.4907 160.464 42.168 -325.525 145.833 67.0139 76.9392 143.113 PRESSAVG: 404800 -31.3965 9.01337 -2.62512 9.01349 -1.25797 35.9288 -2.62521 35.9287 34.9351 GPRESSAVG: 404800 -33.0432 9.45431 -4.01074 6.35012 0.100712 35.5819 -1.90127 37.7342 35.3484 TIMING: 404800 CPU: 1197.38, 0.00293713/step Wall: 1197.38, 0.00293713/step, 3.74908 hours remaining, 206.031250 MB of memory in use. ENERGY: 404800 749.8001 2129.7055 1936.9209 107.8075 -205853.2514 17592.0050 0.0000 0.0000 34425.2135 -148911.7990 300.6440 -183337.0124 -148814.4574 300.2209 -77.6127 -44.0936 557141.5356 0.7602 0.8020 PRESSURE: 405000 86.2361 -98.8471 -58.7104 -98.8461 -46.7467 -117.436 -58.711 -117.435 24.5287 GPRESSURE: 405000 110.192 -57.0064 -93.2751 -11.1243 21.0142 -139.89 -70.1212 -133.753 36.8574 PRESSAVG: 405000 13.8374 20.1815 66.1168 20.1815 18.7092 61.6684 66.1168 61.6685 11.4021 GPRESSAVG: 405000 14.702 20.2507 67.118 19.5908 18.7723 62.9755 63.6395 60.7065 10.8942 TIMING: 405000 CPU: 1197.97, 0.00293835/step Wall: 1197.97, 0.00293835/step, 3.75047 hours remaining, 206.031250 MB of memory in use. ENERGY: 405000 735.8515 2109.9150 1933.2302 104.5623 -206112.9088 17893.9001 0.0000 0.0000 34229.7941 -149105.6555 298.9373 -183335.4496 -149000.6531 299.7153 21.3394 56.0212 557812.0301 14.6496 14.7895 PRESSURE: 405200 -99.255 -17.8207 25.4717 -17.8207 -18.2499 -20.7645 25.4719 -20.7641 -152.463 GPRESSURE: 405200 -44.5645 -120.734 12.9805 -47.8033 0.00520837 -85.3585 -0.215237 -38.3091 -142.864 PRESSAVG: 405200 28.7761 17.1872 43.327 17.1872 -17.9364 34.0341 43.327 34.034 -72.8435 GPRESSAVG: 405200 28.8337 15.4417 43.3054 18.9086 -18.9684 33.9631 44.1835 33.4563 -71.9505 TIMING: 405200 CPU: 1198.55, 0.00292877/step Wall: 1198.55, 0.00292877/step, 3.73809 hours remaining, 206.031250 MB of memory in use. ENERGY: 405200 756.6787 2102.7996 1934.9602 99.5472 -206117.1613 17603.3755 0.0000 0.0000 34574.0012 -149045.7989 301.9434 -183619.8001 -148950.4814 299.7488 -89.9893 -62.4743 557363.1044 -20.6679 -20.6950 PRESSURE: 405400 218.834 30.5473 79.0749 30.547 -252.392 55.6651 79.0752 55.665 -39.1125 GPRESSURE: 405400 210.589 61.1298 50.8612 53.4436 -215.306 23.6132 53.3285 35.6298 25.0753 PRESSAVG: 405400 72.4347 -20.0361 -32.5262 -20.0361 -46.4123 -67.6615 -32.5263 -67.6615 -44.9386 GPRESSAVG: 405400 72.7774 -19.9363 -33.2762 -20.3543 -45.6244 -69.5272 -33.7426 -64.7184 -45.2044 TIMING: 405400 CPU: 1199.14, 0.00292452/step Wall: 1199.14, 0.00292452/step, 3.7325 hours remaining, 206.031250 MB of memory in use. ENERGY: 405400 749.0153 2121.1486 1946.7353 103.8575 -206146.6017 17787.1728 0.0000 0.0000 34270.5277 -149168.1444 299.2930 -183438.6721 -149069.3167 299.9879 -24.2233 6.7861 557549.0461 -6.3054 -6.0172 PRESSURE: 405600 138.884 131.986 16.0296 131.986 23.5902 173.957 16.0301 173.958 -100.412 GPRESSURE: 405600 145.091 76.9782 -64.1871 157.983 66.0624 127.745 20.2854 204.987 -62.5148 PRESSAVG: 405600 1.82451 0.629736 12.9474 0.629759 -21.8317 40.9126 12.9472 40.9127 39.0006 GPRESSAVG: 405600 1.99053 1.58918 12.9378 1.34336 -21.5268 43.5119 16.6067 37.9456 38.6343 TIMING: 405600 CPU: 1199.72, 0.00294069/step Wall: 1199.72, 0.00294069/step, 3.75298 hours remaining, 206.031250 MB of memory in use. ENERGY: 405600 711.3194 2114.3449 1928.4859 111.5694 -205383.5924 17478.4385 0.0000 0.0000 34005.5452 -149033.8891 296.9789 -183039.4343 -148938.2895 299.1114 20.6874 49.5461 556247.1343 6.3311 6.3660 PRESSURE: 405800 -82.1808 87.7474 -47.8442 87.748 -262.774 93.8964 -47.8436 93.8954 -114.426 GPRESSURE: 405800 -73.1978 92.8162 -49.6684 45.0099 -220.345 37.2603 -21.7901 113.396 -76.9923 PRESSAVG: 405800 -7.57415 19.5846 -20.4052 19.5847 -54.6937 15.9716 -20.4051 15.9715 65.9004 GPRESSAVG: 405800 -6.99782 17.9756 -19.1198 20.875 -54.876 13.2486 -22.7998 17.6435 65.6822 TIMING: 405800 CPU: 1200.31, 0.00294438/step Wall: 1200.31, 0.00294438/step, 3.75751 hours remaining, 206.281250 MB of memory in use. ENERGY: 405800 761.0550 2120.9633 1950.2805 111.8182 -205644.2758 17451.1571 0.0000 0.0000 34295.5401 -148953.4617 299.5115 -183249.0017 -148857.6461 299.3324 -153.1269 -123.5116 557505.0387 1.2108 1.2695 PRESSURE: 406000 -326.781 -117.242 -101.943 -117.242 -155.057 121.878 -101.943 121.876 -167.529 GPRESSURE: 406000 -288.806 -29.7761 -146.724 -155.318 -106.767 166.141 -49.5533 206.956 -158.731 PRESSAVG: 406000 -14.9989 39.1746 -53.9404 39.1747 22.1961 -9.27984 -53.9405 -9.27988 -65.2086 GPRESSAVG: 406000 -16.09 38.9125 -54.9689 39.8271 23.0826 -9.45885 -51.5395 -9.86658 -65.8104 TIMING: 406000 CPU: 1200.9, 0.00293629/step Wall: 1200.9, 0.00293629/step, 3.74704 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: 406000 744.3103 2103.3618 1930.2905 100.1214 -206110.1894 17645.4693 0.0000 0.0000 34400.5394 -149186.0966 300.4285 -183586.6361 -149082.3327 299.6469 -216.4558 -184.7680 558882.4796 -19.3371 -19.6059 PRESSURE: 406200 -91.4434 -87.0022 17.0005 -87.0027 228.307 138.729 17.0018 138.729 36.5363 GPRESSURE: 406200 -22.4518 -5.7045 36.0169 -46.5295 277.607 55.6568 5.5285 130.328 14.2504 PRESSAVG: 406200 -34.741 -18.7289 18.8954 -18.7288 36.2598 44.4147 18.8953 44.4147 -0.184038 GPRESSAVG: 406200 -33.2904 -19.575 20.4327 -17.3011 35.568 46.5875 16.0071 43.1198 -1.37188 TIMING: 406200 CPU: 1201.48, 0.00291824/step Wall: 1201.48, 0.00291824/step, 3.72384 hours remaining, 206.281250 MB of memory in use. ENERGY: 406200 752.3669 2090.0871 1940.9372 110.8446 -206274.7143 17953.7503 0.0000 0.0000 34106.3063 -149320.4219 297.8589 -183426.7282 -149229.3862 298.8638 57.7999 89.8020 557685.8146 0.4449 0.3019 PRESSURE: 406400 -27.9261 4.51616 -16.5768 4.51601 -67.1252 168.664 -16.5763 168.664 50.2243 GPRESSURE: 406400 -21.8076 17.0616 65.0997 -5.38192 9.16957 181.502 -77.5689 134.192 65.2604 PRESSAVG: 406400 25.8561 10.6875 -24.9077 10.6874 -14.2868 37.1481 -24.9079 37.1481 -21.6387 GPRESSAVG: 406400 24.772 13.1977 -26.7837 6.98993 -13.9254 36.4808 -24.1964 35.4176 -20.8446 TIMING: 406400 CPU: 1202.08, 0.00295766/step Wall: 1202.08, 0.00295766/step, 3.77397 hours remaining, 206.281250 MB of memory in use. ENERGY: 406400 746.8758 2102.9730 1937.2434 105.3498 -206009.8233 17735.3053 0.0000 0.0000 34241.2052 -149140.8708 299.0370 -183382.0760 -149047.8461 299.0411 -14.9423 17.5408 557410.5584 -3.3565 -3.3327 PRESSURE: 406600 284.665 -59.8443 65.5963 -59.8449 -144.601 -54.887 65.5975 -54.8839 355.477 GPRESSURE: 406600 385.183 -67.3436 105.872 -77.9533 -125.833 -52.4713 -20.7211 -12.7072 338.586 PRESSAVG: 406600 22.2747 -27.0374 29.3762 -27.0374 -70.1518 21.0595 29.3762 21.0594 69.9008 GPRESSAVG: 406600 23.4297 -27.1753 29.7994 -25.9375 -70.1884 19.3279 31.3119 23.7188 69.249 TIMING: 406600 CPU: 1202.67, 0.00295561/step Wall: 1202.67, 0.00295561/step, 3.7712 hours remaining, 206.281250 MB of memory in use. ENERGY: 406600 738.2301 2080.1819 1935.7913 109.1147 -206415.9402 18110.4912 0.0000 0.0000 34280.9532 -149161.1778 299.3841 -183442.1310 -149070.0599 299.2643 165.1802 199.3120 557044.5732 7.3412 7.4968 PRESSURE: 406800 167.533 -20.3272 114.77 -20.3274 186.513 33.5449 114.77 33.5453 230.134 GPRESSURE: 406800 227.353 -96.9779 58.1128 -19.4022 198.955 114.574 49.1248 -49.9502 246.504 PRESSAVG: 406800 17.7779 -17.6786 -0.864202 -17.6786 -66.4264 -23.2172 -0.864297 -23.2173 49.4567 GPRESSAVG: 406800 18.3911 -20.2893 -1.08191 -15.6035 -67.3731 -23.3776 -2.52179 -22.5662 49.7879 TIMING: 406800 CPU: 1203.26, 0.002977/step Wall: 1203.26, 0.002977/step, 3.79832 hours remaining, 206.281250 MB of memory in use. ENERGY: 406800 733.5761 2160.0810 1958.1634 108.9756 -206536.5476 18162.2669 0.0000 0.0000 34233.1698 -149180.3149 298.9668 -183413.4847 -149085.4395 298.9238 194.7266 224.2709 556905.5556 0.2694 0.2686 PRESSURE: 407000 32.3604 -21.791 14.3968 -21.7917 160.663 33.4839 14.398 33.4841 -132.241 GPRESSURE: 407000 34.4723 -39.2247 -24.0472 -105.456 181.922 -32.1625 18.0339 58.3505 -55.0322 PRESSAVG: 407000 15.8038 -5.40882 -25.0607 -5.40872 -8.79109 25.9416 -25.0607 25.9416 -10.5934 GPRESSAVG: 407000 15.1127 -3.99976 -25.8761 -6.04609 -8.88609 28.3608 -24.291 22.8935 -9.90273 TIMING: 407000 CPU: 1203.86, 0.00297423/step Wall: 1203.86, 0.00297423/step, 3.79462 hours remaining, 206.281250 MB of memory in use. ENERGY: 407000 741.8569 2201.2962 1911.4085 118.2085 -206176.6679 17852.2358 0.0000 0.0000 34233.9805 -149117.6814 298.9739 -183351.6619 -149027.3216 299.5352 20.2607 53.7873 556463.2242 -1.1936 -1.2254 PRESSURE: 407200 -248.823 -110.665 113.616 -110.665 91.077 -114.514 113.616 -114.513 -161.828 GPRESSURE: 407200 -201.072 -123.419 80.4079 -49.3546 128.159 -168.939 210.505 -75.3539 -132.544 PRESSAVG: 407200 33.2344 -23.6158 -12.7179 -23.6158 -4.71459 4.53533 -12.7179 4.53533 -70.2196 GPRESSAVG: 407200 32.0797 -24.752 -12.3556 -22.5998 -2.7913 4.20812 -13.2255 7.26766 -70.2534 TIMING: 407200 CPU: 1204.45, 0.00298169/step Wall: 1204.45, 0.00298169/step, 3.80398 hours remaining, 206.292969 MB of memory in use. ENERGY: 407200 735.7968 2154.4626 1950.2552 109.5985 -206170.7712 17492.8661 0.0000 0.0000 34464.3678 -149263.4244 300.9859 -183727.7922 -149163.6318 300.2070 -106.5246 -68.4859 554874.8238 -13.8999 -13.6550 PRESSURE: 407400 -43.6842 -156.189 24.9247 -156.19 286.791 -35.2894 24.9241 -35.2887 136.616 GPRESSURE: 407400 19.6912 -140.027 17.0094 -105.873 307.176 27.0949 40.0943 -97.6665 153.212 PRESSAVG: 407400 8.50992 -0.15989 -8.53106 -0.159929 64.4613 -16.6492 -8.53108 -16.6492 -32.2546 GPRESSAVG: 407400 9.16995 1.40935 -7.76484 -2.42798 63.7997 -15.6985 -9.78587 -18.6958 -32.4007 TIMING: 407400 CPU: 1205.05, 0.00296637/step Wall: 1205.05, 0.00296637/step, 3.78426 hours remaining, 206.292969 MB of memory in use. ENERGY: 407400 749.4544 2164.3420 1939.2517 113.5010 -206495.3628 17958.3979 0.0000 0.0000 34185.9061 -149384.5098 298.5540 -183570.4159 -149290.6058 299.5620 126.5741 160.0267 556432.5457 13.5722 13.5230 PRESSURE: 407600 -185.481 108.83 23.6062 108.83 -294.949 14.9115 23.6049 14.9137 8.92353 GPRESSURE: 407600 -164.474 91.0222 -30.1674 135.167 -311.96 30.4892 73.5872 -32.2399 105.105 PRESSAVG: 407600 7.49028 6.81421 44.0884 6.81431 29.0093 -20.8463 44.0883 -20.8464 14.192 GPRESSAVG: 407600 8.67112 6.22034 45.1686 8.04602 28.885 -20.2088 44.2444 -21.5867 13.6185 TIMING: 407600 CPU: 1205.64, 0.00296448/step Wall: 1205.64, 0.00296448/step, 3.78169 hours remaining, 206.292969 MB of memory in use. ENERGY: 407600 770.7879 2105.8681 1954.2423 114.2708 -206021.3600 17527.5713 0.0000 0.0000 34198.0470 -149350.5725 298.6600 -183548.6195 -149249.5637 299.3684 -157.1688 -123.7762 558203.1415 16.8972 17.0582 PRESSURE: 407800 -184.48 96.729 99.4745 96.7278 -272.394 12.151 99.4748 12.1514 11.3541 GPRESSURE: 407800 -114.179 134.565 98.6082 88.6018 -271.845 79.6124 87.0446 -89.1237 35.6815 PRESSAVG: 407800 -12.3733 27.0689 -8.01145 27.0689 -1.80571 23.6874 -8.01139 23.6872 -11.504 GPRESSAVG: 407800 -14.0416 26.9717 -9.81209 25.6327 -0.657942 22.2463 -6.14796 24.9601 -11.3637 TIMING: 407800 CPU: 1206.23, 0.0029725/step Wall: 1206.23, 0.0029725/step, 3.79175 hours remaining, 206.292969 MB of memory in use. ENERGY: 407800 748.6265 2124.5036 1935.9537 126.4199 -206400.1741 17772.5194 0.0000 0.0000 34208.5425 -149483.6085 298.7517 -183692.1510 -149380.2856 299.0907 -148.5066 -116.7807 557437.2947 -8.5610 -8.6877 PRESSURE: 408000 68.7184 -28.7415 -3.10388 -28.7413 -170.217 13.2858 -3.10482 13.2862 -94.8407 GPRESSURE: 408000 142.667 -59.6646 -75.3245 -64.0936 -193.602 56.2723 0.110308 46.724 -64.2751 PRESSAVG: 408000 -21.6912 -3.75252 23.5184 -3.75254 10.0823 -20.4471 23.5185 -20.4472 -12.1384 GPRESSAVG: 408000 -20.7784 -3.81389 22.7739 -1.59842 8.27811 -19.3792 23.4046 -20.7033 -11.5096 TIMING: 408000 CPU: 1206.82, 0.00293912/step Wall: 1206.82, 0.00293912/step, 3.74901 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: 408000 744.0286 2065.0976 1932.9049 99.5589 -206171.7855 17647.2726 0.0000 0.0000 34199.1839 -149483.7389 298.6700 -183682.9228 -149387.7973 298.6243 -65.4464 -38.4033 556968.9782 -7.9157 -8.0033 PRESSURE: 408200 182.965 4.02095 16.6723 4.02091 330.652 -86.4896 16.6722 -86.4916 -47.4121 GPRESSURE: 408200 266.855 -60.048 -72.1428 40.0716 360.423 -92.679 7.32609 8.80613 -67.5636 PRESSAVG: 408200 11.2445 23.7413 -50.9183 23.7413 18.5425 -21.0329 -50.9183 -21.0328 -4.06509 GPRESSAVG: 408200 10.9498 24.489 -50.677 21.4416 17.6198 -23.0053 -50.4822 -19.4481 -3.45464 TIMING: 408200 CPU: 1207.41, 0.00296504/step Wall: 1207.41, 0.00296504/step, 3.78191 hours remaining, 206.292969 MB of memory in use. ENERGY: 408200 779.2679 2134.2931 1971.0605 103.3654 -206642.2565 18118.0051 0.0000 0.0000 34353.7923 -149182.4721 300.0202 -183536.2645 -149085.7619 299.2047 155.4014 186.5715 555642.4650 8.5740 8.3717 LDB: ============= START OF LOAD BALANCING ============== 1210.84 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1210.84 LDB: =============== DONE WITH MIGRATION ================ 1210.84 LDB: ============= START OF LOAD BALANCING ============== 1211.14 LDB: Largest compute 4848 load 0.028877 is 24.5% of average load 0.117822 LDB: Average compute 0.001730 is 1.5% of average load 0.117822 LDB: TIME 1211.14 LOAD: AVG 0.117822 MAX 0.196107 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 203.465 MB LDB: TIME 1211.14 LOAD: AVG 0.117822 MAX 0.196107 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.465 MB LDB: TIME 1211.14 LOAD: AVG 0.117822 MAX 0.196107 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 203.465 MB LDB: ============== END OF LOAD BALANCING =============== 1211.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1211.14 PRESSURE: 408400 -102.142 -97.5332 11.041 -97.5336 -70.9076 -56.1051 11.0414 -56.1037 -237.676 GPRESSURE: 408400 -54.8266 -42.9589 -28.6546 -133.03 -40.83 -74.7895 -0.406599 -98.1332 -225.234 PRESSAVG: 408400 47.7113 -18.5367 -58.1379 -18.5367 -15.2555 -28.0942 -58.1379 -28.0942 -23.4546 GPRESSAVG: 408400 48.0777 -20.3089 -57.9812 -18.0786 -15.2349 -26.7555 -58.092 -29.2974 -23.7356 TIMING: 408400 CPU: 1208.01, 0.00300146/step Wall: 1208.01, 0.00300146/step, 3.8282 hours remaining, 204.691406 MB of memory in use. ENERGY: 408400 751.7782 2099.1965 1956.3185 110.2309 -205642.9454 17451.3246 0.0000 0.0000 34328.0324 -148946.0643 299.7952 -183274.0966 -148846.6178 299.9210 -136.9086 -106.9636 557307.1420 3.0004 3.0358 PRESSURE: 408600 -85.6079 -99.8715 -64.1193 -99.8712 -359.247 -3.44083 -64.1194 -3.44026 -42.2718 GPRESSURE: 408600 6.80561 -161.128 -21.8606 -60.3726 -377.908 -0.688006 -104.893 26.1487 -17.4308 PRESSAVG: 408600 43.6515 -75.7231 -74.1207 -75.723 -52.2651 10.8416 -74.1207 10.8415 -15.5035 GPRESSAVG: 408600 43.6279 -75.558 -73.7288 -74.5664 -51.9722 9.93908 -76.5869 11.9326 -15.5609 TIMING: 408600 CPU: 1208.61, 0.0029517/step Wall: 1208.61, 0.0029517/step, 3.76456 hours remaining, 204.691406 MB of memory in use. ENERGY: 408600 792.2480 2151.3506 1933.0058 112.4465 -205895.7519 17657.0208 0.0000 0.0000 34336.9581 -148912.7221 299.8732 -183249.6802 -148816.4978 300.5854 -162.3755 -129.5111 559248.2762 -8.0391 -7.9684 PRESSURE: 408800 216.189 53.7541 -127.174 53.7522 -89.0036 -7.54785 -127.173 -7.5487 -155.04 GPRESSURE: 408800 256.886 -27.6079 -73.0301 51.1104 -44.6549 -32.1825 -141.217 -12.4792 -132.329 PRESSAVG: 408800 88.2815 -24.0813 -44.7466 -24.0813 -33.8807 3.34509 -44.7466 3.34513 -6.28093 GPRESSAVG: 408800 88.5262 -23.5914 -44.6354 -25.0035 -34.6939 4.41836 -42.664 2.86174 -5.10829 TIMING: 408800 CPU: 1209.2, 0.00295282/step Wall: 1209.2, 0.00295282/step, 3.76583 hours remaining, 204.691406 MB of memory in use. ENERGY: 408800 767.3204 2113.0072 1932.9569 117.4564 -206325.7606 18011.2417 0.0000 0.0000 34418.6155 -148965.1625 300.5863 -183383.7780 -148861.2052 300.7697 -9.2848 26.6340 558853.3168 16.0399 16.2413 PRESSURE: 409000 -91.8667 182.337 35.5488 182.336 18.0187 -18.8416 35.548 -18.8423 -38.0813 GPRESSURE: 409000 -51.5983 122.042 -33.4313 139.435 -15.3103 38.4222 16.742 13.4473 60.5001 PRESSAVG: 409000 51.3519 20.2359 -15.995 20.2359 -55.7067 15.9089 -15.995 15.9088 -11.3612 GPRESSAVG: 409000 49.842 20.1126 -16.3179 21.1213 -54.3287 16.8408 -17.0615 14.9683 -11.2134 TIMING: 409000 CPU: 1209.79, 0.00294917/step Wall: 1209.79, 0.00294917/step, 3.76102 hours remaining, 204.691406 MB of memory in use. ENERGY: 409000 735.3035 2110.4853 1960.9890 112.6110 -206156.3967 17843.2481 0.0000 0.0000 34238.6657 -149155.0940 299.0148 -183393.7597 -149053.9497 299.8607 -37.3098 -2.1362 558998.8669 -5.2387 -5.2334 PRESSURE: 409200 -36.4285 225.366 -117.069 225.368 -23.6659 -143.13 -117.07 -143.13 -96.7379 GPRESSURE: 409200 35.8289 126.812 -70.0744 243.676 -29.8068 -121.853 -168.593 -180.633 -57.5458 PRESSAVG: 409200 23.9555 -10.4716 -30.8026 -10.4715 6.4009 3.03217 -30.8026 3.03213 -10.458 GPRESSAVG: 409200 24.742 -11.7232 -30.2679 -9.42111 5.31567 2.04061 -30.4171 3.66035 -10.1349 TIMING: 409200 CPU: 1210.37, 0.00294439/step Wall: 1210.37, 0.00294439/step, 3.75475 hours remaining, 204.691406 MB of memory in use. ENERGY: 409200 752.4208 2102.5406 1935.4645 102.1524 -206287.3441 17834.5926 0.0000 0.0000 34451.8582 -149108.3149 300.8766 -183560.1732 -149006.6531 299.0234 -52.2774 -17.1746 559288.5011 6.6328 6.6409 PRESSURE: 409400 59.6957 238.17 5.77368 238.171 -48.2696 -7.1992 5.77289 -7.19841 187.242 GPRESSURE: 409400 54.7863 265.45 -66.9161 212.695 36.7549 -51.2651 7.81619 -4.83567 192.841 PRESSAVG: 409400 29.602 -12.9885 -39.0783 -12.9886 -15.5073 -9.98253 -39.0784 -9.98265 10.9649 GPRESSAVG: 409400 29.3874 -12.2654 -39.4628 -16.9291 -14.1072 -11.9455 -39.5344 -6.66842 9.65546 TIMING: 409400 CPU: 1210.97, 0.00296057/step Wall: 1210.97, 0.00296057/step, 3.77522 hours remaining, 204.949219 MB of memory in use. ENERGY: 409400 723.0014 2113.2850 1936.3755 117.5008 -206214.8974 17991.0647 0.0000 0.0000 34279.0846 -149054.5855 299.3678 -183333.6700 -148958.8274 299.6241 66.2226 94.7940 558371.8892 8.3532 8.3119 PRESSURE: 409600 33.9824 -19.2143 -53.4476 -19.2143 -21.6157 -1.62932 -53.4478 -1.62959 154.798 GPRESSURE: 409600 59.162 -22.8472 -52.4664 -40.1331 56.5773 41.3933 20.5621 42.5987 154.165 PRESSAVG: 409600 87.493 -28.2909 -41.1997 -28.2909 -72.1854 -10.2807 -41.1997 -10.2807 -22.6256 GPRESSAVG: 409600 86.5597 -26.0245 -40.4975 -26.3967 -72.4705 -9.15265 -41.1021 -12.0153 -21.5499 TIMING: 409600 CPU: 1211.56, 0.00296737/step Wall: 1211.56, 0.00296737/step, 3.78372 hours remaining, 204.949219 MB of memory in use. ENERGY: 409600 714.8530 2071.0165 1944.2883 117.8800 -205754.0720 17679.4822 0.0000 0.0000 34261.0632 -148965.4888 299.2104 -183226.5520 -148869.2074 300.2385 55.7216 89.9680 559048.6713 -2.4393 -2.4869 PRESSURE: 409800 -60.3932 78.3284 -53.3324 78.329 -159 101.759 -53.3326 101.758 -156.986 GPRESSURE: 409800 -32.8054 122.877 -27.0143 79.3696 -135.562 115.257 -38.4828 117.535 -98.6026 PRESSAVG: 409800 71.2748 30.0295 -36.3793 30.0294 -6.76009 23.0173 -36.3793 23.0173 -34.569 GPRESSAVG: 409800 71.7302 27.0523 -34.3272 32.3441 -7.80443 21.8752 -36.8894 22.4256 -33.8439 TIMING: 409800 CPU: 1212.15, 0.00296049/step Wall: 1212.15, 0.00296049/step, 3.77479 hours remaining, 204.949219 MB of memory in use. ENERGY: 409800 749.8322 2129.2570 1946.7263 110.4844 -205832.5558 17722.4540 0.0000 0.0000 34245.5913 -148928.2106 299.0753 -183173.8019 -148831.2234 299.8836 -125.4595 -88.9901 558361.7904 9.9819 10.0273 PRESSURE: 410000 -91.569 -10.7603 -90.676 -10.7609 -27.0606 55.3484 -90.6759 55.3477 290.773 GPRESSURE: 410000 -47.4993 -72.4226 -153.486 14.5657 43.5963 27.6916 23.2391 135.452 277.385 PRESSAVG: 410000 34.7486 -16.7392 -7.96386 -16.7392 2.96205 -31.1024 -7.96386 -31.1022 -31.29 GPRESSAVG: 410000 35.1962 -15.0461 -12.6982 -19.3117 3.87068 -29.3965 -7.39558 -30.7275 -33.0752 TIMING: 410000 CPU: 1212.75, 0.00297173/step Wall: 1212.75, 0.00297173/step, 3.78896 hours remaining, 204.949219 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: 410000 717.6701 2059.4798 1944.7386 110.9688 -205981.8399 17892.0302 0.0000 0.0000 34222.9174 -149034.0350 298.8772 -183256.9524 -148946.8414 299.9848 57.3810 91.1608 557451.8187 2.1402 1.9972 PRESSURE: 410200 -15.2457 63.0259 119.821 63.0263 -23.6935 -15.9191 119.82 -15.919 87.3798 GPRESSURE: 410200 6.52378 -22.3391 170.261 91.9771 33.6147 -28.7028 48.8178 20.557 109.382 PRESSAVG: 410200 -7.64175 -5.42883 -10.1536 -5.42887 44.119 58.4509 -10.1536 58.451 -14.7296 GPRESSAVG: 410200 -9.29475 -5.95471 -7.74816 -4.41882 45.1634 57.1845 -10.5143 57.8575 -14.4093 TIMING: 410200 CPU: 1213.34, 0.00298659/step Wall: 1213.34, 0.00298659/step, 3.80773 hours remaining, 204.949219 MB of memory in use. ENERGY: 410200 765.9625 2086.3792 1965.3283 97.5844 -206085.9047 17771.4044 0.0000 0.0000 34414.7339 -148984.5121 300.5524 -183399.2460 -148879.3205 299.1685 16.1469 49.8402 558212.6918 7.2492 7.1531 PRESSURE: 410400 181.577 -246.724 5.77892 -246.725 -95.4044 -183.414 5.77883 -183.413 -53.9396 GPRESSURE: 410400 182.67 -284.991 20.9311 -184.194 -76.3318 -94.9038 24.466 -162.099 28.7483 PRESSAVG: 410400 14.8698 -62.5939 -1.40374 -62.5938 18.5688 10.2951 -1.4037 10.2951 11.2507 GPRESSAVG: 410400 15.3307 -60.3764 -0.986208 -61.9144 17.2327 11.7508 -1.28302 9.8862 12.4958 TIMING: 410400 CPU: 1213.94, 0.00296707/step Wall: 1213.94, 0.00296707/step, 3.78268 hours remaining, 205.207031 MB of memory in use. ENERGY: 410400 769.7609 2126.8315 1955.1767 116.6225 -206324.2088 17981.7374 0.0000 0.0000 34322.8483 -149051.2313 299.7500 -183374.0797 -148959.3074 299.6356 10.7444 45.0288 558902.1978 14.8964 15.0197 PRESSURE: 410600 375.462 -161.481 21.2034 -161.482 107.384 -116.199 21.2027 -116.198 -56.7367 GPRESSURE: 410600 405.509 -152.236 -6.46848 -151.438 154.074 -117.332 148.174 -70.6645 -42.3965 PRESSAVG: 410600 43.5182 0.0715073 10.5165 0.0714573 -12.2249 -27.7162 10.5165 -27.7161 -41.055 GPRESSAVG: 410600 42.8903 -0.928001 10.924 -0.371601 -11.7347 -30.4444 10.9619 -27.428 -40.9376 TIMING: 410600 CPU: 1214.53, 0.00295931/step Wall: 1214.53, 0.00295931/step, 3.77262 hours remaining, 205.207031 MB of memory in use. ENERGY: 410600 764.8564 2090.8167 1949.4355 112.7407 -206456.8327 18248.2130 0.0000 0.0000 34237.6776 -149053.0927 299.0062 -183290.7704 -148960.4614 299.1303 142.0367 172.3953 559477.7556 -3.2539 -3.2607 PRESSURE: 410800 302.53 2.21624 80.7248 2.21668 -96.9695 18.4859 80.7251 18.4862 225.314 GPRESSURE: 410800 260.141 5.56627 122.022 18.8282 -20.7292 41.4427 147.38 -9.22869 285.419 PRESSAVG: 410800 66.0006 14.1137 24.4 14.1136 -53.8477 -6.22675 24.3999 -6.22672 -14.7073 GPRESSAVG: 410800 66.8449 11.9483 25.9305 16.5587 -53.7004 -1.07588 23.0849 -8.13171 -15.7156 TIMING: 410800 CPU: 1215.12, 0.00295808/step Wall: 1215.12, 0.00295808/step, 3.77089 hours remaining, 205.207031 MB of memory in use. ENERGY: 410800 747.4920 2123.6167 1928.5047 115.8520 -206309.3182 17983.2357 0.0000 0.0000 34355.1003 -149055.5167 300.0316 -183410.6170 -148952.9206 299.0680 143.6250 174.9436 558501.0995 -0.8514 -0.8570 PRESSURE: 411000 -90.7612 -83.9026 116.433 -83.9017 -0.461565 -23.0323 116.433 -23.0315 74.89 GPRESSURE: 411000 -102.557 -87.9755 99.288 -42.7398 40.8243 -13.7296 67.4871 27.4566 132.093 PRESSAVG: 411000 28.755 -20.2371 15.2721 -20.2371 -48.0546 -57.0703 15.2721 -57.0703 42.864 GPRESSAVG: 411000 30.3376 -18.5618 13.481 -23.8373 -48.86 -59.3095 14.9154 -53.8054 41.7958 TIMING: 411000 CPU: 1215.71, 0.00296951/step Wall: 1215.71, 0.00296951/step, 3.7853 hours remaining, 205.207031 MB of memory in use. ENERGY: 411000 754.0264 2069.7968 1933.9762 100.6684 -205924.7546 17864.7976 0.0000 0.0000 34253.7743 -148947.7149 299.1467 -183201.4892 -148848.4353 299.9306 -5.4443 23.4534 558614.8835 7.8548 7.7578 PRESSURE: 411200 -59.7434 -83.1899 -127.9 -83.1898 -169.9 -69.9693 -127.898 -69.9699 35.6288 GPRESSURE: 411200 38.6831 -118.152 17.6744 42.5582 -166.345 -78.6614 -180.519 9.48273 26.3297 PRESSAVG: 411200 30.9849 -43.9682 41.0146 -43.9682 -18.2871 -17.2458 41.0147 -17.246 -19.0838 GPRESSAVG: 411200 30.4667 -44.974 42.0379 -41.9249 -18.483 -17.4912 42.3821 -18.62 -18.5556 TIMING: 411200 CPU: 1216.31, 0.0029596/step Wall: 1216.31, 0.0029596/step, 3.7725 hours remaining, 205.207031 MB of memory in use. ENERGY: 411200 731.3370 2105.5568 1954.4645 126.5672 -205773.7038 17593.1648 0.0000 0.0000 34277.0083 -148985.6052 299.3496 -183262.6136 -148895.8079 300.2111 -64.6717 -33.7773 558525.5628 -2.1287 -2.1906 PRESSURE: 411400 137.092 -190.067 43.0501 -190.066 269.36 -35.0802 43.0501 -35.0808 403.548 GPRESSURE: 411400 201.344 -185.017 29.2911 -203.232 287.286 1.71341 83.2546 -31.363 416.55 PRESSAVG: 411400 24.8467 18.0607 -3.62539 18.0606 -25.2154 -19.6439 -3.62546 -19.644 1.60798 GPRESSAVG: 411400 23.1347 18.2249 -5.0654 18.3348 -23.9901 -20.3026 -5.05693 -18.9061 1.77011 TIMING: 411400 CPU: 1216.9, 0.00296018/step Wall: 1216.9, 0.00296018/step, 3.77308 hours remaining, 205.207031 MB of memory in use. ENERGY: 411400 753.3386 2092.7580 1960.8751 110.3646 -206475.9195 18275.4123 0.0000 0.0000 34419.7277 -148863.4434 300.5960 -183283.1711 -148767.2135 300.0968 270.0000 301.7269 558183.2958 0.4131 0.3049 PRESSURE: 411600 -67.4172 87.997 33.4752 87.9971 -2.72895 -153.679 33.4735 -153.678 233.563 GPRESSURE: 411600 20.8886 -6.64655 78.4493 39.3943 53.6223 -75.1177 -4.42482 -235.573 187.205 PRESSAVG: 411600 47.2712 -35.2041 -38.2102 -35.2041 -37.7336 -57.7919 -38.2102 -57.7919 -3.43972 GPRESSAVG: 411600 48.0242 -33.7221 -36.742 -36.4757 -38.1828 -58.5231 -37.0359 -58.0674 -4.33709 TIMING: 411600 CPU: 1217.49, 0.00293363/step Wall: 1217.49, 0.00293363/step, 3.73908 hours remaining, 205.207031 MB of memory in use. ENERGY: 411600 795.1499 2081.1992 1942.3971 112.1065 -206352.2973 18133.1173 0.0000 0.0000 34492.0371 -148796.2902 301.2275 -183288.3273 -148687.1801 300.3689 54.4723 87.2385 558345.6469 2.0326 1.8348 PRESSURE: 411800 -180.874 -0.991641 -228.376 -0.994546 54.4592 -66.1131 -228.377 -66.1132 -1.17132 GPRESSURE: 411800 -188.086 -39.8913 -291.399 2.99318 128.23 7.24564 -115.498 -44.6533 25.5466 PRESSAVG: 411800 -8.86098 -26.4118 -56.3893 -26.4119 46.9725 -31.6433 -56.3894 -31.6432 -24.4898 GPRESSAVG: 411800 -9.36422 -27.2328 -58.2358 -24.9899 46.8183 -30.3595 -54.7259 -31.9353 -24.3185 TIMING: 411800 CPU: 1218.07, 0.00294827/step Wall: 1218.07, 0.00294827/step, 3.75758 hours remaining, 205.207031 MB of memory in use. ENERGY: 411800 737.7017 2093.3980 1947.7481 121.5794 -205850.6992 17769.1353 0.0000 0.0000 34230.1224 -148951.0143 298.9402 -183181.1368 -148854.7721 300.5380 -42.5288 -11.4364 559799.4919 4.5406 4.3785 PRESSURE: 412000 -27.1053 43.9462 -51.6056 43.9458 -95.0967 23.8719 -51.6046 23.8707 -258.53 GPRESSURE: 412000 5.68088 108.785 -4.65408 36.212 -91.1475 48.0264 -1.134 13.132 -196.98 PRESSAVG: 412000 -7.03196 9.09102 -25.5316 9.09099 32.3882 -1.14206 -25.5316 -1.14203 -43.9123 GPRESSAVG: 412000 -6.97486 9.83781 -24.8067 10.7155 31.9492 -1.85113 -26.066 -1.11638 -43.6845 TIMING: 412000 CPU: 1218.67, 0.00295474/step Wall: 1218.67, 0.00295474/step, 3.76566 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: 412000 766.1033 2083.5489 1951.3831 120.7129 -205921.2404 17731.8487 0.0000 0.0000 34457.5405 -148810.1030 300.9263 -183267.6435 -148718.6682 299.7354 -126.9108 -94.1487 558897.8108 -6.1853 -6.2367 PRESSURE: 412200 35.2118 -64.2762 -14.5761 -64.2758 -50.6301 -90.5665 -14.5762 -90.5661 -35.089 GPRESSURE: 412200 66.09 -109.24 56.0092 -40.337 -26.7832 -78.9155 -33.9263 -108.866 9.91135 PRESSAVG: 412200 -11.4313 -4.31631 1.34339 -4.31634 71.7607 -37.296 1.3433 -37.2959 -31.2329 GPRESSAVG: 412200 -10.608 -6.48685 1.42129 -4.48122 71.4527 -36.3448 1.11903 -38.1125 -32.1279 TIMING: 412200 CPU: 1219.26, 0.0029906/step Wall: 1219.26, 0.0029906/step, 3.81119 hours remaining, 205.207031 MB of memory in use. ENERGY: 412200 742.9223 2144.0704 1934.2305 105.3839 -206302.0381 17851.8271 0.0000 0.0000 34505.4703 -149018.1336 301.3449 -183523.6039 -148921.1295 299.5420 -16.8357 16.4061 557906.0769 9.6988 9.5723 LDB: ============= START OF LOAD BALANCING ============== 1222.69 LDB: ============== END OF LOAD BALANCING =============== 1222.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1222.69 LDB: ============= START OF LOAD BALANCING ============== 1222.99 LDB: Largest compute 4848 load 0.029642 is 25.2% of average load 0.117693 LDB: Average compute 0.001733 is 1.5% of average load 0.117693 LDB: TIME 1222.99 LOAD: AVG 0.117693 MAX 0.19751 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.449 MB LDB: TIME 1222.99 LOAD: AVG 0.117693 MAX 0.19751 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.492 MB LDB: TIME 1222.99 LOAD: AVG 0.117693 MAX 0.19751 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.492 MB LDB: ============== END OF LOAD BALANCING =============== 1222.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1223 PRESSURE: 412400 -60.7427 -44.1887 -182.577 -44.1889 122.089 110.148 -182.577 110.149 -11.3559 GPRESSURE: 412400 -3.98184 -134.648 -157.114 49.5126 91.6104 138.72 -176.475 106.583 59.3375 PRESSAVG: 412400 -5.66705 53.4305 -7.33769 53.4304 60.7631 -28.8627 -7.33763 -28.8627 -33.0037 GPRESSAVG: 412400 -6.07917 53.6185 -8.1291 53.6458 61.3229 -30.5134 -6.88456 -26.7349 -32.5527 TIMING: 412400 CPU: 1219.87, 0.00301266/step Wall: 1219.87, 0.00301266/step, 3.83913 hours remaining, 204.753906 MB of memory in use. ENERGY: 412400 732.1031 2101.2734 1939.8309 108.5937 -205752.7897 17694.6671 0.0000 0.0000 34354.2416 -148822.0800 300.0241 -183176.3216 -148726.9612 300.3298 16.6634 48.9887 557879.7009 7.3641 7.5637 PRESSURE: 412600 -111.307 -49.1669 -73.2731 -49.1679 -188.484 73.7742 -73.2737 73.7742 210.464 GPRESSURE: 412600 -33.293 44.6486 -70.5978 -117.734 -193.132 126.498 -64.4584 60.5495 221.583 PRESSAVG: 412600 11.1605 20.2799 -6.4033 20.2799 -31.7436 -35.7934 -6.4032 -35.7934 41.4202 GPRESSAVG: 412600 11.4635 22.849 -7.28731 17.9633 -32.6489 -32.8702 -7.57795 -35.8782 41.8911 TIMING: 412600 CPU: 1220.47, 0.00300729/step Wall: 1220.47, 0.00300729/step, 3.83212 hours remaining, 204.957031 MB of memory in use. ENERGY: 412600 770.0567 2044.0288 1957.5503 126.3555 -206052.4387 17788.4895 0.0000 0.0000 34441.0952 -148924.8629 300.7827 -183365.9580 -148825.4326 300.3236 -29.7756 -1.6139 558577.3107 6.9457 6.9019 PRESSURE: 412800 -36.3929 -7.52686 11.4481 -7.5263 -7.20993 -12.0486 11.447 -12.0474 -128.329 GPRESSURE: 412800 -98.164 23.6256 -25.4054 -84.0966 73.0968 42.0722 18.7427 -72.9018 -47.1515 PRESSAVG: 412800 -28.1931 57.0793 -46.4814 57.0794 22.9896 41.3076 -46.4814 41.3077 -8.27053 GPRESSAVG: 412800 -30.1544 53.9017 -43.5263 58.4447 25.3384 39.4447 -46.5469 41.0225 -8.50931 TIMING: 412800 CPU: 1221.06, 0.00294735/step Wall: 1221.06, 0.00294735/step, 3.75558 hours remaining, 204.957031 MB of memory in use. ENERGY: 412800 755.3895 2149.9835 1949.7135 111.9486 -205704.6861 17723.9874 0.0000 0.0000 34126.2352 -148887.4283 298.0329 -183013.6635 -148797.9176 299.1558 -57.3106 -24.0729 559963.8442 -4.4914 -4.4418 PRESSURE: 413000 -225.107 -15.134 -83.5097 -15.1348 -415.015 14.0539 -83.5084 14.055 -17.8106 GPRESSURE: 413000 -197.212 -25.4447 -161.667 -21.3419 -392.516 -10.5479 -168.649 -26.0044 29.6105 PRESSAVG: 413000 -20.3262 31.4899 -53.0816 31.49 6.93292 -48.3783 -53.0817 -48.3783 48.7012 GPRESSAVG: 413000 -18.9862 33.1197 -54.1975 30.9447 6.48259 -47.6681 -53.9852 -48.8545 47.2848 TIMING: 413000 CPU: 1221.65, 0.00295488/step Wall: 1221.65, 0.00295488/step, 3.76501 hours remaining, 204.957031 MB of memory in use. ENERGY: 413000 770.2393 2142.7223 1931.1322 107.3238 -205860.2968 17738.1136 0.0000 0.0000 34448.4735 -148722.2921 300.8471 -183170.7656 -148623.1422 300.0982 -219.3109 -186.7059 559743.7865 11.7693 11.5937 PRESSURE: 413200 37.3988 -17.2274 143.797 -17.2283 -123.011 -66.4901 143.796 -66.4898 69.9768 GPRESSURE: 413200 97.0246 60.5065 189.988 -60.5334 -147.144 -70.6069 180.071 -4.85839 116.011 PRESSAVG: 413200 -59.0649 -17.5275 -44.3178 -17.5276 40.7903 3.77176 -44.3179 3.77178 32.888 GPRESSAVG: 413200 -59.3899 -17.7472 -45.1806 -18.3102 39.9921 4.48751 -42.6187 0.988315 33.8923 TIMING: 413200 CPU: 1222.24, 0.00294229/step Wall: 1222.24, 0.00294229/step, 3.7488 hours remaining, 204.957031 MB of memory in use. ENERGY: 413200 763.6311 2110.7822 1904.8016 117.6461 -206152.6019 17880.3110 0.0000 0.0000 34617.7149 -148757.7150 302.3251 -183375.4300 -148661.9222 300.6568 -5.2117 21.9641 558518.6443 4.8711 4.8315 PRESSURE: 413400 95.3357 90.3696 -141.627 90.3669 -67.6707 30.4931 -141.628 30.4942 -39.1784 GPRESSURE: 413400 152.75 39.8163 -136.079 112.508 -26.6811 2.41267 -168.834 42.2201 -31.625 PRESSAVG: 413400 -2.88979 1.50174 6.90916 1.50172 36.9134 16.0712 6.90922 16.0713 -67.7563 GPRESSAVG: 413400 -2.44019 1.1519 7.20941 3.42369 37.6882 16.7029 5.8559 17.6813 -68.4579 TIMING: 413400 CPU: 1222.83, 0.00296413/step Wall: 1222.83, 0.00296413/step, 3.77646 hours remaining, 204.957031 MB of memory in use. ENERGY: 413400 743.5762 2127.4600 1928.7559 114.1884 -205847.8432 17813.5784 0.0000 0.0000 34386.2217 -148734.0626 300.3034 -183120.2843 -148646.2234 300.6511 -3.8378 31.4814 558636.1270 -11.2442 -11.0700 PRESSURE: 413600 21.8886 36.4542 -28.6047 36.453 334.933 -18.9106 -28.6054 -18.9086 -40.8044 GPRESSURE: 413600 90.9249 11.5381 -69.3347 53.121 328.998 -70.7524 -83.4104 8.93048 -1.32391 PRESSAVG: 413600 26.6828 -7.17174 17.6833 -7.17177 60.493 11.1602 17.6834 11.1603 -101.71 GPRESSAVG: 413600 26.8213 -6.81572 19.2868 -8.41914 58.9677 10.8117 16.4067 10.8722 -100.516 TIMING: 413600 CPU: 1223.42, 0.00294125/step Wall: 1223.42, 0.00294125/step, 3.74716 hours remaining, 204.957031 MB of memory in use. ENERGY: 413600 693.8187 2111.0001 1943.2903 121.8951 -206294.6239 17981.7843 0.0000 0.0000 34598.8961 -148843.9392 302.1608 -183442.8353 -148739.6558 300.5177 105.3391 139.5331 558920.0469 -4.8446 -4.9092 PRESSURE: 413800 -12.1921 70.0973 4.94115 70.0955 -228.686 -51.6354 4.94148 -51.6368 -16.771 GPRESSURE: 413800 24.3968 82.6015 97.639 179.37 -176.284 -82.4636 -84.0975 -39.1634 -10.9676 PRESSAVG: 413800 -3.92017 25.88 28.1743 25.8799 -11.1063 10.9744 28.1742 10.9743 -20.7439 GPRESSAVG: 413800 -3.74606 26.5525 27.401 25.4439 -10.8197 8.52851 30.729 13.1126 -20.877 TIMING: 413800 CPU: 1224, 0.00292375/step Wall: 1224, 0.00292375/step, 3.7247 hours remaining, 204.957031 MB of memory in use. ENERGY: 413800 777.2593 2126.3451 1939.0817 125.4254 -206191.5313 17875.2190 0.0000 0.0000 34529.9708 -148818.2300 301.5588 -183348.2008 -148719.8614 300.4779 -85.8829 -54.2848 558672.2084 -11.9234 -11.8143 PRESSURE: 414000 -389.875 105.095 193.847 105.096 -207.276 21.8821 193.847 21.8826 -325.771 GPRESSURE: 414000 -373.271 93.9823 228.729 111.545 -168.619 -85.8637 113.706 41.7573 -276.165 PRESSAVG: 414000 -17.9155 63.9884 13.3339 63.9884 36.2832 -7.44261 13.334 -7.44256 -20.0761 GPRESSAVG: 414000 -18.1169 63.7992 12.0093 63.9948 36.2207 -7.28097 13.3013 -5.9082 -19.1231 TIMING: 414000 CPU: 1224.59, 0.00292767/step Wall: 1224.59, 0.00292767/step, 3.72952 hours remaining, 204.957031 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: 414000 766.9995 2125.1598 1930.7557 105.8171 -205742.6475 17487.9730 0.0000 0.0000 34489.3059 -148836.6365 301.2037 -183325.9424 -148734.0743 301.6478 -307.6410 -272.6850 558724.8122 -0.5695 -0.3398 PRESSURE: 414200 79.7098 -108.658 107.645 -108.659 176.289 -66.6132 107.644 -66.6147 124.484 GPRESSURE: 414200 137.73 -94.9221 159.874 -79.9589 178.869 -1.23 59.5268 -43.6021 158.507 PRESSAVG: 414200 39.8232 -58.3986 22.2294 -58.3986 -1.3985 -23.9149 22.2295 -23.9149 -76.9949 GPRESSAVG: 414200 39.2881 -58.5788 25.005 -59.4565 0.812106 -24.4994 20.0846 -26.7119 -78.581 TIMING: 414200 CPU: 1225.17, 0.00292754/step Wall: 1225.17, 0.00292754/step, 3.72919 hours remaining, 204.957031 MB of memory in use. ENERGY: 414200 743.3979 2040.7940 1946.6449 118.4750 -205881.8337 17923.1272 0.0000 0.0000 34164.4078 -148944.9870 298.3663 -183109.3948 -148854.6365 299.1547 126.8277 158.3688 557949.5990 -12.8567 -12.8269 PRESSURE: 414400 -41.2776 -59.9946 21.716 -59.9938 224.477 -72.5681 21.7171 -72.5687 -313.799 GPRESSURE: 414400 -79.8394 9.30537 9.65574 -62.2005 248.579 -178.638 20.8987 -0.193376 -197.858 PRESSAVG: 414400 -34.13 -14.8746 29.305 -14.8746 43.7124 1.92914 29.305 1.92909 23.6236 GPRESSAVG: 414400 -33.9848 -15.3017 27.9795 -14.4231 42.2871 2.35024 31.5888 3.49152 25.1277 TIMING: 414400 CPU: 1225.76, 0.00293844/step Wall: 1225.76, 0.00293844/step, 3.74292 hours remaining, 204.957031 MB of memory in use. ENERGY: 414400 726.6703 2026.9559 1934.4686 105.1002 -205572.3253 17623.7375 0.0000 0.0000 34203.9717 -148951.4210 298.7118 -183155.3928 -148857.2620 299.7798 -43.5332 -9.7064 558157.6675 11.0687 11.1433 PRESSURE: 414600 -73.6365 -10.1527 -94.3652 -10.1526 -2.74209 56.4196 -94.3643 56.4193 -236.026 GPRESSURE: 414600 -8.50222 -108.93 -56.6309 33.2309 -2.40549 86.3204 -148.479 5.20009 -204.698 PRESSAVG: 414600 -5.02421 7.12709 -58.6258 7.12706 13.6087 31.6582 -58.6258 31.6583 -9.28099 GPRESSAVG: 414600 -4.74059 6.26541 -59.5392 9.72206 13.934 33.4545 -58.2733 31.4582 -9.89941 TIMING: 414600 CPU: 1226.35, 0.00295077/step Wall: 1226.35, 0.00295077/step, 3.75846 hours remaining, 204.957031 MB of memory in use. ENERGY: 414600 761.6830 2138.8937 1919.1089 118.6216 -205770.9622 17600.5423 0.0000 0.0000 34371.9681 -148860.1446 300.1789 -183232.1127 -148767.8014 300.3311 -104.1348 -71.8686 557241.3651 -0.2322 -0.2353 PRESSURE: 414800 -250.238 -114.251 14.8068 -114.25 -151.68 -43.5356 14.8053 -43.537 -166.492 GPRESSURE: 414800 -172.677 -173.951 94.8558 -50.9742 -106.2 -0.934301 62.8261 -138.71 -179.526 PRESSAVG: 414800 -62.1261 17.581 -9.07316 17.581 54.4281 -7.16681 -9.07314 -7.16678 -32.2252 GPRESSAVG: 414800 -61.6686 20.5223 -9.82053 13.2493 53.8796 -8.21916 -8.46734 -9.51071 -31.8611 TIMING: 414800 CPU: 1226.94, 0.00295881/step Wall: 1226.94, 0.00295881/step, 3.76853 hours remaining, 204.957031 MB of memory in use. ENERGY: 414800 760.0745 2061.7719 1909.2683 113.2392 -205672.1957 17500.2519 0.0000 0.0000 34353.9016 -148973.6884 300.0212 -183327.5900 -148874.5313 300.7019 -189.4700 -152.8012 558077.1294 -13.3078 -13.2167 PRESSURE: 415000 -250.213 -262.54 21.906 -262.54 -147.392 122.165 21.907 122.164 -266.386 GPRESSURE: 415000 -228.681 -163.135 26.2586 -295.571 -93.2776 183.585 38.6414 77.9669 -249.12 PRESSAVG: 415000 53.6623 -15.9191 47.5927 -15.919 -11.6087 60.9331 47.5928 60.9332 -4.18572 GPRESSAVG: 415000 54.1008 -15.4638 50.2639 -14.5995 -12.0216 62.3077 45.1077 62.7836 -4.02799 TIMING: 415000 CPU: 1227.53, 0.00294663/step Wall: 1227.53, 0.00294663/step, 3.75286 hours remaining, 204.957031 MB of memory in use. ENERGY: 415000 748.7674 2085.4548 1951.2697 101.5872 -205762.1191 17481.2804 0.0000 0.0000 34487.3006 -148906.4590 301.1862 -183393.7596 -148811.8086 299.8071 -221.3302 -190.3596 557450.3385 12.6226 12.6837 PRESSURE: 415200 209.704 -36.3351 82.8776 -36.3346 98.6608 -216.349 82.8765 -216.349 26.2326 GPRESSURE: 415200 257.601 -86.1878 87.1457 -40.831 102.169 -204.449 116.354 -194.608 63.4878 PRESSAVG: 415200 -28.255 -17.7311 -14.6527 -17.731 7.83381 -35.7441 -14.6528 -35.744 18.2225 GPRESSAVG: 415200 -29.5315 -21.0548 -14.7277 -16.0163 8.88048 -37.9075 -13.9168 -35.9797 18.3705 TIMING: 415200 CPU: 1228.12, 0.00294567/step Wall: 1228.12, 0.00294567/step, 3.75148 hours remaining, 204.957031 MB of memory in use. ENERGY: 415200 752.6339 2073.4894 1948.5456 119.9284 -206155.4461 17971.1117 0.0000 0.0000 34270.8719 -149018.8653 299.2960 -183289.7371 -148922.4049 300.3818 111.5324 141.0856 557531.9925 -0.7329 -0.7602 PRESSURE: 415400 8.35803 41.3397 -66.7855 41.3396 56.3406 38.4826 -66.7873 38.4819 31.6132 GPRESSURE: 415400 36.0396 83.8598 -119.58 113.171 75.8002 17.0386 -34.662 20.7022 89.7536 PRESSAVG: 415400 7.46595 1.6687 10.9512 1.66882 -7.98471 16.6176 10.9511 16.6177 13.6132 GPRESSAVG: 415400 9.22384 2.86541 10.5423 0.738934 -8.04311 17.468 10.8045 15.8536 12.2386 TIMING: 415400 CPU: 1228.71, 0.00296261/step Wall: 1228.71, 0.00296261/step, 3.77288 hours remaining, 204.957031 MB of memory in use. ENERGY: 415400 763.5443 2062.5018 1920.7121 109.3273 -206114.7079 17964.5626 0.0000 0.0000 34176.8154 -149117.2445 298.4746 -183294.0600 -149025.2937 299.8835 32.1039 67.1978 557664.1788 4.3648 4.4731 PRESSURE: 415600 -135.159 -96.5529 71.7626 -96.5533 -57.7997 83.3275 71.7627 83.3263 -17.6572 GPRESSURE: 415600 -90.2599 -101.324 22.2879 -102.129 -75.6253 117.681 16.914 73.089 55.5586 PRESSAVG: 415600 49.3647 27.1632 7.21051 27.1631 19.6462 41.9115 7.21048 41.9115 -69.8311 GPRESSAVG: 415600 50.3571 25.3963 5.33585 28.5052 19.0569 43.6834 8.64932 44.61 -70.2963 TIMING: 415600 CPU: 1229.31, 0.00296309/step Wall: 1229.31, 0.00296309/step, 3.77333 hours remaining, 204.957031 MB of memory in use. ENERGY: 415600 735.0620 2040.9449 1934.1493 118.9390 -206080.9180 17677.3810 0.0000 0.0000 34398.0411 -149176.4008 300.4066 -183574.4419 -149080.4637 299.7144 -70.2055 -36.7755 557683.5401 -0.2734 -0.2941 PRESSURE: 415800 36.2314 -89.9962 23.4891 -89.997 26.6083 -142.268 23.489 -142.269 -12.1073 GPRESSURE: 415800 79.9551 -9.91948 -32.733 -124.748 65.8945 -139.543 52.6317 -141.186 2.23138 PRESSAVG: 415800 -29.7284 -44.8215 29.3081 -44.8214 -1.21013 -1.16855 29.3081 -1.16864 25.4478 GPRESSAVG: 415800 -30.6584 -43.6674 31.83 -45.8584 0.323251 -2.20809 28.6391 -3.43989 25.2302 TIMING: 415800 CPU: 1229.9, 0.00297511/step Wall: 1229.9, 0.00297511/step, 3.78847 hours remaining, 204.957031 MB of memory in use. ENERGY: 415800 741.8353 2117.6583 1934.7951 102.0065 -206448.8681 17908.7654 0.0000 0.0000 34406.0980 -149237.7095 300.4770 -183643.8076 -149133.5566 299.8094 16.9108 49.3603 557336.6300 -1.8303 -1.7016 PRESSURE: 416000 -88.0127 113.991 42.4116 113.991 -120.177 -62.5232 42.412 -62.5239 31.1565 GPRESSURE: 416000 -69.3779 105.114 -27.6373 -6.6414 -106.251 -12.507 143.874 -68.1561 95.3853 PRESSAVG: 416000 -21.9229 -30.8455 -6.76303 -30.8456 -63.2467 5.577 -6.76296 5.57693 75.6162 GPRESSAVG: 416000 -22.6438 -29.709 -7.25728 -29.8316 -64.5207 4.07827 -7.54191 5.31652 77.9687 TIMING: 416000 CPU: 1230.5, 0.00298553/step Wall: 1230.5, 0.00298553/step, 3.80157 hours remaining, 204.957031 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: 416000 735.5569 2080.8972 1939.1612 108.5499 -205797.0379 17672.8127 0.0000 0.0000 34179.9648 -149080.0952 298.5021 -183260.0600 -148980.5820 299.4783 -59.0110 -26.7478 558082.7643 -3.1845 -3.0653 PRESSURE: 416200 145.671 128.014 102.463 128.014 -81.8495 119.931 102.464 119.931 26.0197 GPRESSURE: 416200 149.431 107.896 30.7069 106.489 -57.3643 224.587 166.397 98.9816 87.2913 PRESSAVG: 416200 7.85277 25.51 43.6262 25.51 -54.7999 92.1412 43.6261 92.1412 52.4627 GPRESSAVG: 416200 9.07793 24.1139 41.3642 26.1506 -53.5802 94.6182 45.8844 92.2693 49.5768 TIMING: 416200 CPU: 1231.09, 0.00295341/step Wall: 1231.09, 0.00295341/step, 3.76051 hours remaining, 204.957031 MB of memory in use. ENERGY: 416200 731.3893 2070.1624 1931.3841 115.3300 -206024.6106 17931.0201 0.0000 0.0000 34180.7826 -149064.5420 298.5093 -183245.3246 -148968.9124 298.9113 29.9470 59.7859 559130.1321 1.8385 1.6915 LDB: ============= START OF LOAD BALANCING ============== 1234.52 LDB: ============== END OF LOAD BALANCING =============== 1234.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1234.52 LDB: ============= START OF LOAD BALANCING ============== 1234.81 LDB: Largest compute 4848 load 0.029423 is 25.0% of average load 0.117774 LDB: Average compute 0.001730 is 1.5% of average load 0.117774 LDB: TIME 1234.81 LOAD: AVG 0.117774 MAX 0.195678 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.297 MB LDB: TIME 1234.81 LOAD: AVG 0.117774 MAX 0.195678 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.297 MB LDB: TIME 1234.81 LOAD: AVG 0.117774 MAX 0.195678 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1234.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1234.82 PRESSURE: 416400 97.8222 -65.111 1.24132 -65.1091 -107.433 2.31133 1.24222 2.31001 134.634 GPRESSURE: 416400 100.52 -25.4421 -42.7423 -75.7138 -29.6729 33.6741 -22.1218 -39.4224 155.013 PRESSAVG: 416400 17.6494 12.0734 31.4248 12.0734 -33.8351 30.3404 31.4248 30.3406 44.7421 GPRESSAVG: 416400 16.788 11.0927 33.0294 11.6844 -34.4946 28.3457 30.4871 31.6796 46.496 TIMING: 416400 CPU: 1231.69, 0.00299411/step Wall: 1231.69, 0.00299411/step, 3.81217 hours remaining, 205.460938 MB of memory in use. ENERGY: 416400 741.5335 2101.0507 1942.4541 125.9038 -206569.7374 18123.3863 0.0000 0.0000 34624.7885 -148910.6206 302.3869 -183535.4091 -148817.5035 300.4677 41.6746 75.2868 558140.3368 9.5188 9.5965 PRESSURE: 416600 -286.405 -124.637 157.426 -124.637 -191.433 20.7807 157.425 20.7811 -14.9337 GPRESSURE: 416600 -266.357 -157.129 224.186 -143.318 -179.986 6.36741 112.926 51.4847 58.6052 PRESSAVG: 416600 3.54032 -30.8124 -1.84879 -30.8124 0.0888496 -0.692227 -1.8488 -0.692254 23.5403 GPRESSAVG: 416600 4.70551 -28.9905 -0.543997 -31.6857 -0.851445 0.344016 -2.74352 -0.144608 23.5532 TIMING: 416600 CPU: 1232.28, 0.00295514/step Wall: 1232.28, 0.00295514/step, 3.76238 hours remaining, 205.570312 MB of memory in use. ENERGY: 416600 773.2235 2051.3263 1937.3287 113.4293 -205936.4228 17759.2524 0.0000 0.0000 34386.6732 -148915.1895 300.3074 -183301.8626 -148813.3166 300.7314 -164.2572 -129.2459 559962.4674 9.0565 9.1357 PRESSURE: 416800 98.3186 -120.723 88.661 -120.725 129.612 -63.4931 88.6605 -63.4913 70.5394 GPRESSURE: 416800 124.51 -79.4975 57.3964 -160.633 131.81 -43.4673 17.4939 -7.20187 145.139 PRESSAVG: 416800 -55.0917 -28.5171 59.085 -28.5171 31.707 5.21727 59.0851 5.21723 -16.76 GPRESSAVG: 416800 -55.6277 -31.418 57.6648 -26.0788 32.429 6.59273 59.6612 4.75748 -17.4172 TIMING: 416800 CPU: 1232.87, 0.00295097/step Wall: 1232.87, 0.00295097/step, 3.75691 hours remaining, 205.570312 MB of memory in use. ENERGY: 416800 790.9430 2146.3667 1943.8570 131.6203 -206388.6336 18073.4611 0.0000 0.0000 34297.5532 -149004.8323 299.5291 -183302.3855 -148908.5498 300.0515 99.4900 133.8198 558539.6575 -13.3816 -13.5386 PRESSURE: 417000 8.52173 -96.8628 -41.9091 -96.8636 -265.873 28.952 -41.909 28.9519 83.4172 GPRESSURE: 417000 29.6455 -74.7552 -59.8789 -69.6947 -265.58 73.8859 -28.7777 3.42917 161.269 PRESSAVG: 417000 -30.8399 -0.399785 59.2958 -0.399674 27.1708 -58.9797 59.2959 -58.9798 5.40696 GPRESSAVG: 417000 -32.088 2.1274 58.9069 -2.78615 26.8408 -58.0818 60.2216 -59.2057 6.66384 TIMING: 417000 CPU: 1233.46, 0.00297083/step Wall: 1233.46, 0.00297083/step, 3.78203 hours remaining, 205.726562 MB of memory in use. ENERGY: 417000 744.8063 2124.0993 1939.2129 115.7503 -206037.6765 17749.4495 0.0000 0.0000 34308.2285 -149056.1298 299.6223 -183364.3583 -148960.8085 300.2252 -57.9780 -24.8884 558050.6118 0.5793 0.4722 PRESSURE: 417200 122.489 28.5359 160.479 28.5358 67.7864 72.0885 160.48 72.0875 50.4692 GPRESSURE: 417200 125.944 10.8785 230.626 -27.2412 163.809 93.7607 120.045 -13.9833 52.1877 PRESSAVG: 417200 13.981 40.4561 10.3921 40.4561 11.8694 -2.72901 10.3921 -2.72902 -17.696 GPRESSAVG: 417200 14.9552 38.5682 10.153 42.1976 11.9317 -4.4095 9.11552 -3.37911 -18.6083 TIMING: 417200 CPU: 1234.05, 0.00294634/step Wall: 1234.05, 0.00294634/step, 3.75069 hours remaining, 205.726562 MB of memory in use. ENERGY: 417200 789.6098 2102.1541 1943.1908 110.7497 -206424.3294 18051.1293 0.0000 0.0000 34391.7573 -149035.7384 300.3518 -183427.4958 -148951.2378 300.1860 80.2481 113.9802 556539.4356 2.7181 2.7595 PRESSURE: 417400 59.2102 -197.621 19.7725 -197.621 -21.0478 -55.4868 19.7737 -55.4862 -204.932 GPRESSURE: 417400 123.403 -251.026 80.4508 -247.113 -24.5638 -52.4426 8.23438 -30.2173 -157.694 PRESSAVG: 417400 0.838403 36.5554 53.2214 36.5555 -40.439 -23.7042 53.2214 -23.7042 59.3189 GPRESSAVG: 417400 0.948794 36.9621 54.0364 33.1525 -40.4777 -25.7488 52.5584 -23.4769 59.4897 TIMING: 417400 CPU: 1234.64, 0.00295862/step Wall: 1234.64, 0.00295862/step, 3.76616 hours remaining, 205.726562 MB of memory in use. ENERGY: 417400 749.8147 2046.5562 1939.9506 116.7622 -205819.2540 17607.4698 0.0000 0.0000 34445.4373 -148913.2632 300.8206 -183358.7005 -148823.0856 300.3477 -55.5898 -19.6181 556798.2729 6.5728 6.6536 PRESSURE: 417600 169.905 21.0341 32.8102 21.0337 -43.5419 14.3317 32.8104 14.3309 -57.7116 GPRESSURE: 417600 157.157 -14.793 20.446 -27.9718 23.8779 44.0759 73.0091 70.997 -8.74465 PRESSAVG: 417600 75.3102 -35.7419 33.0776 -35.742 -19.7999 33.0232 33.0776 33.0233 -78.5812 GPRESSAVG: 417600 75.2773 -34.273 31.3431 -36.0546 -20.1803 35.5212 34.7394 32.6534 -78.0885 TIMING: 417600 CPU: 1235.23, 0.00293138/step Wall: 1235.23, 0.00293138/step, 3.73132 hours remaining, 205.726562 MB of memory in use. ENERGY: 417600 740.9073 2113.5428 1925.8520 110.2117 -205808.1538 17641.9461 0.0000 0.0000 34332.7314 -148942.9624 299.8363 -183275.6939 -148848.9544 299.6540 22.8837 57.4300 557315.1879 -7.6903 -7.6638 PRESSURE: 417800 132.494 194.213 -82.074 194.212 187.105 151.308 -82.0741 151.307 227.049 GPRESSURE: 417800 98.808 104.959 -107.477 278.66 215.281 186.214 -127.592 164.513 324.333 PRESSAVG: 417800 -16.786 1.07223 -15.1025 1.07222 5.33746 44.2743 -15.1026 44.2743 15.3298 GPRESSAVG: 417800 -17.2221 0.135546 -13.5935 3.30714 6.46085 43.1447 -17.2637 44.8583 14.5384 TIMING: 417800 CPU: 1235.82, 0.00293876/step Wall: 1235.82, 0.00293876/step, 3.74056 hours remaining, 205.804688 MB of memory in use. ENERGY: 417800 699.1505 2091.4928 1933.2642 115.1688 -206077.6747 18014.8975 0.0000 0.0000 34426.0004 -148797.7005 300.6508 -183223.7009 -148702.9262 299.9436 182.2159 212.8072 557035.9088 1.2937 1.2591 PRESSURE: 418000 126.191 -150.085 45.634 -150.084 -30.6569 183.867 45.6314 183.867 129.634 GPRESSURE: 418000 150.052 -150.203 -4.41388 -169.649 10.7038 177.218 10.0155 170.462 173.694 PRESSAVG: 418000 -21.8577 4.78334 -39.9778 4.78334 27.7615 24.4025 -39.9777 24.4025 -18.652 GPRESSAVG: 418000 -21.6376 5.68537 -41.2487 4.17232 26.7845 23.4426 -38.5176 24.1995 -17.6354 TIMING: 418000 CPU: 1236.41, 0.00293027/step Wall: 1236.41, 0.00293027/step, 3.72958 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: 418000 720.9819 2119.5599 1931.2748 110.6811 -206334.3903 17942.1702 0.0000 0.0000 34564.4785 -148945.2440 301.8602 -183509.7224 -148849.9128 299.9028 75.0558 111.4832 558119.1907 -4.2494 -4.1628 PRESSURE: 418200 58.7943 52.323 -85.6824 52.3227 -376.97 -89.174 -85.6829 -89.1744 -105.386 GPRESSURE: 418200 105.46 30.9282 -20.087 1.39953 -355.994 -69.9034 -121.446 -63.5867 -71.496 PRESSAVG: 418200 -23.5696 -45.9621 -11.4024 -45.9621 -21.783 13.3406 -11.4025 13.3406 29.0101 GPRESSAVG: 418200 -23.5931 -47.4107 -11.7205 -47.7063 -21.2703 12.4679 -12.6473 14.5067 28.5305 TIMING: 418200 CPU: 1236.99, 0.00293159/step Wall: 1236.99, 0.00293159/step, 3.73109 hours remaining, 205.804688 MB of memory in use. ENERGY: 418200 749.8011 2126.3371 1933.0083 129.2214 -206011.7999 17610.8007 0.0000 0.0000 34493.4510 -148969.1804 301.2399 -183462.6314 -148874.7010 299.9984 -141.1875 -107.3432 559787.6368 -5.4475 -5.4443 PRESSURE: 418400 -187.129 -51.1201 145.074 -51.1202 308.445 -14.9506 145.075 -14.9508 106.155 GPRESSURE: 418400 -172.451 -90.9749 138.119 -72.257 342.76 -20.868 144.487 26.127 155.279 PRESSAVG: 418400 -5.67037 -3.22831 -78.8487 -3.22825 -22.9671 2.83369 -78.8487 2.83379 -1.7285 GPRESSAVG: 418400 -5.19435 -2.49957 -78.4662 -1.78406 -22.1022 4.22402 -79.0437 2.57879 -2.55183 TIMING: 418400 CPU: 1237.58, 0.00295736/step Wall: 1237.58, 0.00295736/step, 3.76374 hours remaining, 205.804688 MB of memory in use. ENERGY: 418400 761.6021 2101.6125 1965.1535 109.6767 -205948.8644 17971.5782 0.0000 0.0000 33992.6697 -149046.5716 296.8664 -183039.2413 -148947.5434 299.3072 75.8237 108.5294 558702.4813 -10.1220 -9.9494 PRESSURE: 418600 144.144 -156.824 -58.5183 -156.825 126.561 165.853 -58.5181 165.853 -31.3894 GPRESSURE: 418600 182.192 -28.8486 -81.5383 -228.224 140.166 148.841 -48.6696 209.288 11.8753 PRESSAVG: 418600 -15.608 -51.7967 30.303 -51.7967 24.847 27.4373 30.3029 27.4373 11.0477 GPRESSAVG: 418600 -16.3624 -50.8378 30.2722 -52.0326 24.3935 28.1931 32.1743 26.4241 12.3269 TIMING: 418600 CPU: 1238.18, 0.00296414/step Wall: 1238.18, 0.00296414/step, 3.7722 hours remaining, 205.804688 MB of memory in use. ENERGY: 418600 775.9995 2091.1086 1938.3905 123.4937 -206252.5292 17966.2240 0.0000 0.0000 34207.9385 -149149.3745 298.7464 -183357.3130 -149048.6343 299.4077 79.7720 111.4109 556148.0167 6.7622 6.7860 PRESSURE: 418800 95.3609 -89.4198 133.988 -89.4203 55.6118 162.483 133.989 162.483 59.7007 GPRESSURE: 418800 107.373 -20.1361 200.714 -151.808 115.798 144.274 77.7832 188.868 69.2705 PRESSAVG: 418800 10.1261 -18.9044 -52.751 -18.9044 -33.9903 16.9356 -52.7509 16.9355 0.0417061 GPRESSAVG: 418800 9.79016 -18.7558 -50.505 -19.2416 -33.8802 15.5888 -54.1545 18.3705 -0.40224 TIMING: 418800 CPU: 1238.77, 0.00296753/step Wall: 1238.77, 0.00296753/step, 3.77635 hours remaining, 205.804688 MB of memory in use. ENERGY: 418800 802.1631 2105.2190 1918.3037 111.4218 -206322.0673 18020.5344 0.0000 0.0000 34446.2585 -148918.1669 300.8277 -183364.4255 -148822.7956 299.8446 70.2245 97.4807 556531.5905 -7.9408 -8.1641 PRESSURE: 419000 -107.95 27.4169 -48.0865 27.417 -329.84 3.89437 -48.086 3.89281 208.833 GPRESSURE: 419000 -95.7063 87.0399 -69.5733 -17.1558 -224.906 34.6687 -47.578 -0.757769 196.326 PRESSAVG: 419000 -39.9012 -12.9582 -52.2178 -12.9582 73.4056 -18.1097 -52.2179 -18.1097 2.45205 GPRESSAVG: 419000 -38.5692 -13.896 -52.8125 -12.8006 73.9815 -16.2978 -51.362 -19.9661 0.724866 TIMING: 419000 CPU: 1239.36, 0.00295869/step Wall: 1239.36, 0.00295869/step, 3.76493 hours remaining, 205.804688 MB of memory in use. ENERGY: 419000 727.9854 2094.6377 1924.1957 115.7162 -205909.9652 17661.1995 0.0000 0.0000 34434.2243 -148952.0063 300.7226 -183386.2307 -148846.9031 300.2165 -76.3188 -41.4288 558263.6640 11.9855 12.0457 PRESSURE: 419200 249.88 110.861 -67.2981 110.862 29.6365 -32.0438 -67.2986 -32.0443 -1.12165 GPRESSURE: 419200 274.217 96.9588 -41.9092 117.357 67.9515 41.7594 -111.735 -53.3462 33.6905 PRESSAVG: 419200 -45.2801 -1.07841 -42.3436 -1.07846 51.3055 -60.9885 -42.3436 -60.9886 -6.69762 GPRESSAVG: 419200 -45.9985 -0.163992 -41.8207 -0.676163 51.0924 -60.5305 -44.1587 -62.4558 -5.31635 TIMING: 419200 CPU: 1239.95, 0.00296323/step Wall: 1239.95, 0.00296323/step, 3.77054 hours remaining, 205.804688 MB of memory in use. ENERGY: 419200 761.8536 2098.0041 1939.0766 118.3609 -206031.3553 17954.2380 0.0000 0.0000 34061.9827 -149097.8394 297.4718 -183159.8221 -149010.2260 300.4253 92.7984 125.2864 557738.1003 -0.2241 -0.0741 PRESSURE: 419400 175.691 -6.14693 140.257 -6.14578 7.14131 -73.8246 140.255 -73.8236 -239.733 GPRESSURE: 419400 170.049 -17.4751 84.5353 -72.7172 103.649 -124.979 128.475 -103.835 -228.957 PRESSAVG: 419400 -13.1248 37.4209 6.94764 37.4209 -3.79561 -24.3576 6.94766 -24.3577 31.2807 GPRESSAVG: 419400 -13.601 36.6403 7.35964 36.5386 -4.09481 -24.4935 7.88501 -22.3569 31.7243 TIMING: 419400 CPU: 1240.55, 0.00296411/step Wall: 1240.55, 0.00296411/step, 3.7715 hours remaining, 205.804688 MB of memory in use. ENERGY: 419400 786.2181 2082.6049 1946.8690 110.2532 -206057.1292 17799.4574 0.0000 0.0000 34097.4812 -149234.2454 297.7818 -183331.7266 -149138.4777 299.5799 -18.9670 14.9137 556820.7947 4.7868 4.6762 PRESSURE: 419600 58.7264 33.4936 -51.7362 33.4941 42.6285 -5.98527 -51.7336 -5.9863 45.0158 GPRESSURE: 419600 133.818 -21.108 47.9484 20.3042 93.3306 -78.2224 -77.3013 20.8458 9.19661 PRESSAVG: 419600 10.4186 53.6829 -19.1278 53.6828 -11.0187 53.2623 -19.1278 53.2622 -3.17644 GPRESSAVG: 419600 11.1316 53.4687 -21.9133 53.6921 -10.2021 52.801 -17.6694 51.7705 -4.47799 TIMING: 419600 CPU: 1241.14, 0.00295962/step Wall: 1241.14, 0.00295962/step, 3.76563 hours remaining, 205.804688 MB of memory in use. ENERGY: 419600 748.3367 2130.1514 1976.9685 132.2797 -206241.3562 17793.1110 0.0000 0.0000 34224.2837 -149236.2252 298.8892 -183460.5089 -149137.5756 299.0284 48.7902 78.7816 556444.3467 -1.2588 -1.1828 PRESSURE: 419800 -267.723 -55.805 -102.051 -55.8045 -148.732 177.32 -102.051 177.321 -337.316 GPRESSURE: 419800 -270.63 -25.2529 -84.3627 -57.5373 -42.3491 211.252 -61.5685 158.629 -358.129 PRESSAVG: 419800 22.8167 100.855 -2.95172 100.855 46.4802 6.9789 -2.95179 6.97898 -72.3495 GPRESSAVG: 419800 21.7894 100.872 -1.86142 102.087 46.5679 6.4922 -4.76439 8.48513 -71.4434 TIMING: 419800 CPU: 1241.73, 0.00293941/step Wall: 1241.73, 0.00293941/step, 3.73974 hours remaining, 205.804688 MB of memory in use. ENERGY: 419800 770.8848 2100.6680 1928.2374 105.0674 -206008.3058 17580.0044 0.0000 0.0000 34498.8718 -149024.5720 301.2872 -183523.4438 -148917.6271 299.5101 -251.2572 -223.7027 558175.6319 -1.0175 -1.0287 PRESSURE: 420000 265.637 199.059 -111.294 199.058 47.9577 146.751 -111.293 146.751 -196.437 GPRESSURE: 420000 220.051 243.577 -113.554 195.985 73.4191 125.071 -116.997 168.386 -81.9998 PRESSAVG: 420000 71.03 34.4176 -10.338 34.4175 12.705 -3.27555 -10.338 -3.27554 -116.753 GPRESSAVG: 420000 71.4734 32.4967 -8.89677 35.5465 11.8787 -4.28367 -11.3937 -3.78381 -116.207 TIMING: 420000 CPU: 1242.32, 0.00294994/step Wall: 1242.32, 0.00294994/step, 3.75297 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: 420000 729.1940 2079.0788 1934.0216 116.4527 -206151.5768 17947.9045 0.0000 0.0000 34492.3062 -148852.6190 301.2299 -183344.9252 -148752.7896 300.6391 39.0526 70.4900 558742.7302 -11.0059 -10.9517 PRESSURE: 420200 213.775 -111.166 72.8348 -111.165 270.572 23.8533 72.8348 23.8532 247.763 GPRESSURE: 420200 258.91 -109.534 26.3756 -80.655 279.273 38.0502 72.6403 -7.39761 286.72 PRESSAVG: 420200 -7.92953 11.3469 -24.4264 11.3469 63.9368 34.9706 -24.4264 34.9707 -19.2836 GPRESSAVG: 420200 -8.13396 10.9968 -26.6404 9.7246 63.7244 37.642 -22.2066 35.8218 -18.9625 TIMING: 420200 CPU: 1242.9, 0.00293631/step Wall: 1242.9, 0.00293631/step, 3.73548 hours remaining, 205.804688 MB of memory in use. ENERGY: 420200 735.8591 2080.6242 1934.1706 106.3783 -206369.5621 18069.2701 0.0000 0.0000 34577.1648 -148866.0951 301.9710 -183443.2598 -148772.0102 300.3052 244.0367 274.9677 557375.7211 12.2412 12.2093 LDB: ============= START OF LOAD BALANCING ============== 1246.33 LDB: ============== END OF LOAD BALANCING =============== 1246.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1246.33 LDB: ============= START OF LOAD BALANCING ============== 1246.62 LDB: Largest compute 4848 load 0.028471 is 24.2% of average load 0.117767 LDB: Average compute 0.001732 is 1.5% of average load 0.117767 LDB: TIME 1246.62 LOAD: AVG 0.117767 MAX 0.19606 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.234 MB LDB: TIME 1246.63 LOAD: AVG 0.117767 MAX 0.19606 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.234 MB LDB: TIME 1246.63 LOAD: AVG 0.117767 MAX 0.19606 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.234 MB LDB: ============== END OF LOAD BALANCING =============== 1246.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1246.63 PRESSURE: 420400 -169.32 -184.842 83.7924 -184.842 -120.563 -85.9371 83.7925 -85.937 -5.69078 GPRESSURE: 420400 -111.813 -137.338 228.585 -138.862 -84.1067 -97.145 40.4264 -65.4711 -13.6377 PRESSAVG: 420400 -39.171 29.5535 -45.1649 29.5535 11.1316 56.9322 -45.1649 56.9321 -3.11033 GPRESSAVG: 420400 -38.1049 30.5438 -44.4711 29.5076 10.6045 55.4373 -44.0219 55.4763 -3.68044 TIMING: 420400 CPU: 1243.5, 0.00299017/step Wall: 1243.5, 0.00299017/step, 3.80383 hours remaining, 205.515625 MB of memory in use. ENERGY: 420400 789.2360 2010.5960 1971.1858 118.4184 -205612.6933 17703.0886 0.0000 0.0000 34219.9103 -148800.2583 298.8510 -183020.1686 -148708.5787 300.1923 -98.5248 -69.8526 557126.7287 -10.3832 -10.3936 PRESSURE: 420600 57.0458 76.4972 -115.015 76.4978 30.8505 38.8638 -115.015 38.8637 14.8691 GPRESSURE: 420600 41.0893 16.8385 -133.677 64.5139 78.7081 82.2444 -177.445 4.77039 67.8972 PRESSAVG: 420600 -48.4744 -2.74238 -14.1723 -2.74246 23.7616 -26.2867 -14.1723 -26.2867 53.4147 GPRESSAVG: 420600 -49.7133 -0.601663 -12.9707 -2.34456 25.1766 -25.374 -16.7466 -25.9118 53.7503 TIMING: 420600 CPU: 1244.09, 0.00294398/step Wall: 1244.09, 0.00294398/step, 3.74491 hours remaining, 205.714844 MB of memory in use. ENERGY: 420600 748.1885 2101.7073 1942.2192 131.5079 -206130.0755 17923.4974 0.0000 0.0000 34405.0280 -148877.9272 300.4677 -183282.9552 -148786.8925 300.2976 34.2551 62.5648 555629.9170 9.5673 9.7379 PRESSURE: 420800 85.3419 94.5309 -8.84064 94.5307 -200.369 -60.4117 -8.84047 -60.4122 -78.6649 GPRESSURE: 420800 109.5 213.728 7.1342 77.3761 -208.309 -83.006 34.3647 -41.7579 8.36487 PRESSAVG: 420800 -4.4296 39.4299 -1.05869 39.4299 -69.8616 35.6996 -1.05874 35.6996 67.5456 GPRESSAVG: 420800 -4.12879 39.8409 -1.52055 39.7931 -70.364 34.3384 -0.256875 34.6512 67.435 TIMING: 420800 CPU: 1244.68, 0.00294416/step Wall: 1244.68, 0.00294416/step, 3.74497 hours remaining, 205.714844 MB of memory in use. ENERGY: 420800 725.9329 2095.9752 1935.0965 119.4506 -205861.5604 17419.1278 0.0000 0.0000 34508.8755 -149057.1019 301.3746 -183565.9774 -148960.6112 300.4579 -64.5639 -30.1479 556642.4804 -2.2486 -2.3526 PRESSURE: 421000 -145.342 14.9547 37.4263 14.9552 12.8725 5.93422 37.426 5.93306 -202.211 GPRESSURE: 421000 -115.509 -47.774 4.86051 -24.8269 50.8398 -9.68183 10.5702 -8.23738 -187.269 PRESSAVG: 421000 -15.5719 34.6248 7.18518 34.6248 32.2325 -20.1828 7.1853 -20.1828 14.7885 GPRESSAVG: 421000 -16.2925 32.8514 6.76391 36.0768 33.176 -21.7276 8.37048 -18.475 14.5409 TIMING: 421000 CPU: 1245.27, 0.00293983/step Wall: 1245.27, 0.00293983/step, 3.7393 hours remaining, 205.714844 MB of memory in use. ENERGY: 421000 721.8494 2083.2941 1934.1078 123.3687 -206043.0294 17692.3704 0.0000 0.0000 34238.5308 -149249.5082 299.0136 -183488.0390 -149152.5221 299.2102 -111.5600 -83.9795 557912.7425 10.4830 10.4748 PRESSURE: 421200 -338.897 80.8962 -64.7258 80.8965 -112.942 12.8145 -64.726 12.8136 -317.346 GPRESSURE: 421200 -324.684 144.412 -16.1305 49.4105 -88.0473 -19.6444 -86.1228 -30.1064 -253.924 PRESSAVG: 421200 -58.8106 25.6066 11.2985 25.6066 17.306 -54.426 11.2985 -54.426 58.6651 GPRESSAVG: 421200 -58.099 25.537 11.4929 25.0699 17.4829 -52.898 10.1598 -54.7239 58.0996 TIMING: 421200 CPU: 1245.86, 0.00295244/step Wall: 1245.86, 0.00295244/step, 3.75518 hours remaining, 205.714844 MB of memory in use. ENERGY: 421200 767.1368 2094.7269 1929.2120 120.5885 -206056.7885 17478.5359 0.0000 0.0000 34397.1109 -149269.4776 300.3985 -183666.5885 -149176.3447 299.4200 -256.3949 -222.2185 556332.4918 5.7202 5.8278 PRESSURE: 421400 -74.3825 44.7136 -171.375 44.7127 -197.558 86.4621 -171.375 86.4627 -223.188 GPRESSURE: 421400 -27.485 -23.1989 -131.366 -28.4108 -146.019 86.4337 -191.833 159.917 -233.021 PRESSAVG: 421400 -43.2443 -13.6599 -34.2637 -13.6598 46.2532 -24.1814 -34.2637 -24.1814 -45.323 GPRESSAVG: 421400 -44.1759 -13.425 -35.216 -14.5586 45.69 -24.0099 -34.3041 -24.379 -43.6256 TIMING: 421400 CPU: 1246.44, 0.00293475/step Wall: 1246.44, 0.00293475/step, 3.73252 hours remaining, 205.714844 MB of memory in use. ENERGY: 421400 778.8234 2084.1700 1958.5527 119.8910 -205738.0258 17522.0301 0.0000 0.0000 34181.5043 -149093.0545 298.5156 -183274.5587 -148997.8073 299.4612 -165.0429 -135.5083 556916.4484 -14.1047 -14.0372 PRESSURE: 421600 144.984 -26.7962 -69.8287 -26.796 32.7477 60.0488 -69.8287 60.0478 -104.575 GPRESSURE: 421600 169.154 9.69085 -90.3502 6.57229 57.2176 44.3848 -81.3854 123.066 -75.6831 PRESSAVG: 421600 25.7887 -19.7237 -15.4531 -19.7237 41.1625 -35.8982 -15.4532 -35.8982 -46.5217 GPRESSAVG: 421600 26.6519 -20.1013 -14.5374 -17.4331 41.9349 -35.9231 -15.5476 -36.9341 -47.8391 TIMING: 421600 CPU: 1247.03, 0.00293173/step Wall: 1247.03, 0.00293173/step, 3.72851 hours remaining, 205.714844 MB of memory in use. ENERGY: 421600 738.5892 2073.7717 1975.8372 112.2910 -206139.1387 17834.2239 0.0000 0.0000 33997.6949 -149406.7309 296.9103 -183404.4258 -149309.4366 298.9502 24.3856 50.2295 556391.5031 6.8098 6.9159 PRESSURE: 421800 35.2467 43.2951 -130.792 43.2942 74.5182 -64.2782 -130.792 -64.279 24.9158 GPRESSURE: 421800 58.8873 16.5904 -128.589 73.3019 103.212 -64.9626 -28.6563 -105.408 62.8026 PRESSAVG: 421800 16.4727 -21.8097 38.1024 -21.8098 -49.8007 -23.5566 38.1024 -23.5565 11.6044 GPRESSAVG: 421800 15.5214 -21.4633 38.7002 -23.4448 -48.8629 -26.1266 37.8912 -21.7847 11.9192 TIMING: 421800 CPU: 1247.62, 0.00294779/step Wall: 1247.62, 0.00294779/step, 3.74876 hours remaining, 205.714844 MB of memory in use. ENERGY: 421800 721.2644 2079.9057 1931.2057 116.8870 -206203.4524 17869.1487 0.0000 0.0000 34034.6684 -149450.3725 297.2332 -183485.0409 -149361.2813 297.6384 44.8935 74.9671 555326.4922 -7.2412 -7.1408 PRESSURE: 422000 -21.9485 -31.7101 65.7843 -31.7104 81.5509 107.047 65.7836 107.048 -99.2553 GPRESSURE: 422000 14.8901 -87.3733 96.3717 15.2422 145.491 175.574 91.5747 134.835 -107.11 PRESSAVG: 422000 -7.42182 -96.9546 -13.0276 -96.9545 54.8097 -31.5201 -13.0276 -31.5201 -75.8718 GPRESSAVG: 422000 -5.14551 -97.0884 -13.5383 -95.3993 53.3304 -29.7527 -11.0796 -33.0684 -76.5156 TIMING: 422000 CPU: 1248.21, 0.00295498/step Wall: 1248.21, 0.00295498/step, 3.75775 hours remaining, 205.714844 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: 422000 786.4863 2116.7580 1923.0347 120.6254 -206182.0758 17852.2569 0.0000 0.0000 33982.0419 -149400.8726 296.7736 -183382.9145 -149309.5093 298.4792 -13.2176 17.7571 558099.4913 -9.4946 -9.4436 PRESSURE: 422200 -39.3953 -75.705 -151.729 -75.7053 245.983 173.555 -151.73 173.555 -273.719 GPRESSURE: 422200 -13.5321 -24.2275 -183.079 -168.933 314.391 133.686 -164.3 158.298 -271.536 PRESSAVG: 422200 -46.4113 -8.8601 -19.849 -8.85999 22.5391 54.7378 -19.8489 54.7378 39.6363 GPRESSAVG: 422200 -48.0246 -8.07978 -20.6509 -9.95734 22.59 55.5758 -20.6784 53.8772 40.8331 TIMING: 422200 CPU: 1248.8, 0.00294262/step Wall: 1248.8, 0.00294262/step, 3.74187 hours remaining, 205.714844 MB of memory in use. ENERGY: 422200 751.6330 2083.1815 1957.0312 110.9552 -206361.7278 17804.5166 0.0000 0.0000 34165.4382 -149488.9723 298.3753 -183654.4105 -149399.6500 298.3015 -22.3773 9.7745 558457.2005 5.2547 5.1329 PRESSURE: 422400 200.251 70.7094 64.264 70.7093 139.954 9.14179 64.2626 9.14107 -291.324 GPRESSURE: 422400 174.525 -14.2775 171.165 123.846 195.225 4.06181 57.8045 62.4657 -237.9 PRESSAVG: 422400 -36.1508 -46.9715 65.6037 -46.9715 95.9008 9.22838 65.6036 9.22839 -57.1532 GPRESSAVG: 422400 -37.3843 -48.3269 64.5702 -46.3678 96.4988 8.17384 66.5762 12.0614 -56.1176 TIMING: 422400 CPU: 1249.39, 0.00294895/step Wall: 1249.39, 0.00294895/step, 3.74976 hours remaining, 205.714844 MB of memory in use. ENERGY: 422400 738.3432 2142.5474 1954.1620 122.7830 -206513.7468 18056.9895 0.0000 0.0000 34104.4863 -149394.4354 297.8430 -183498.9217 -149301.1760 298.9275 16.2939 43.9498 558798.3883 0.8656 0.9990 PRESSURE: 422600 -228.565 -6.7715 -148.661 -6.77086 -12.1044 -67.1857 -148.659 -67.1858 -33.3416 GPRESSURE: 422600 -183.787 4.04234 -122.145 -19.9547 5.33085 -55.3519 -99.911 -75.9525 -1.32699 PRESSAVG: 422600 -9.00605 -52.1312 9.41272 -52.1312 55.7185 8.58721 9.41267 8.58723 -12.6135 GPRESSAVG: 422600 -6.89326 -50.5962 10.3092 -52.5755 55.3289 9.74207 8.33041 7.28988 -14.1754 TIMING: 422600 CPU: 1249.98, 0.00297366/step Wall: 1249.98, 0.00297366/step, 3.781 hours remaining, 205.714844 MB of memory in use. ENERGY: 422600 753.7190 2110.7832 1927.6228 109.1728 -206529.9943 17925.6628 0.0000 0.0000 34218.7389 -149484.2947 298.8408 -183703.0336 -149384.7658 298.7290 -91.3371 -59.9276 559774.9193 11.3663 11.4201 PRESSURE: 422800 -172.626 11.7415 -46.5596 11.7404 104.612 -66.7486 -46.5595 -66.7483 43.279 GPRESSURE: 422800 -206.492 -55.1416 -140.421 75.107 202.11 -63.3046 -20.5633 -29.1367 74.8289 PRESSAVG: 422800 31.0843 -11.4858 3.33931 -11.4859 -18.3846 -42.4734 3.33923 -42.4734 -16.0554 GPRESSAVG: 422800 31.266 -13.2812 5.76711 -10.4805 -19.0921 -43.4966 2.514 -41.857 -15.7466 TIMING: 422800 CPU: 1250.58, 0.00296693/step Wall: 1250.58, 0.00296693/step, 3.77229 hours remaining, 205.714844 MB of memory in use. ENERGY: 422800 777.1706 2151.1177 1945.2764 120.2154 -206325.7113 17921.0219 0.0000 0.0000 34082.1084 -149328.8008 297.6475 -183410.9092 -149232.2260 299.1563 -8.2450 23.4825 559843.9601 -1.1185 -1.1909 PRESSURE: 423000 -112.349 -219.436 -115.171 -219.438 163.669 37.5729 -115.172 37.5719 19.356 GPRESSURE: 423000 -68.153 -209.774 -107.958 -230.036 196.358 40.1525 -95.6999 25.9674 29.2538 PRESSAVG: 423000 -32.5105 -12.2969 -12.5195 -12.2968 29.4423 -47.0181 -12.5196 -47.018 -12.0064 GPRESSAVG: 423000 -33.5146 -11.1613 -15.5962 -13.675 29.3742 -46.3986 -10.0287 -48.9455 -10.9997 TIMING: 423000 CPU: 1251.17, 0.00293892/step Wall: 1251.17, 0.00293892/step, 3.73652 hours remaining, 205.714844 MB of memory in use. ENERGY: 423000 740.6127 2132.0419 1965.8231 114.7817 -206584.3043 18006.7446 0.0000 0.0000 34361.8616 -149262.4388 300.0907 -183624.3004 -149165.5507 299.3516 23.5587 52.4865 557700.6339 -5.0249 -5.0467 PRESSURE: 423200 13.2657 -12.115 32.595 -12.1151 -348.003 -92.026 32.5929 -92.0261 -272.218 GPRESSURE: 423200 -22.9592 -116.051 -8.26478 74.356 -274.568 -26.0587 51.4581 -147.991 -217.415 PRESSAVG: 423200 32.7417 -4.61396 -16.176 -4.61389 -0.321709 -9.41985 -16.1759 -9.41997 2.11464 GPRESSAVG: 423200 33.7802 -4.25053 -13.3209 -2.89694 0.838876 -9.84125 -18.6233 -8.18511 -0.304065 TIMING: 423200 CPU: 1251.75, 0.00294622/step Wall: 1251.75, 0.00294622/step, 3.74562 hours remaining, 205.714844 MB of memory in use. ENERGY: 423200 747.3226 2102.4399 1926.3446 115.2205 -205968.8865 17527.2635 0.0000 0.0000 34370.6423 -149179.6532 300.1674 -183550.2954 -149077.7917 299.5046 -202.3183 -171.6474 558916.5234 11.5115 11.4383 PRESSURE: 423400 4.18442 7.16302 2.18675 7.16263 -232.823 63.2137 2.18692 63.2155 -184.09 GPRESSURE: 423400 32.3584 12.6645 112.957 14.1054 -201.381 -13.4723 -36.5295 149.032 -140.618 PRESSAVG: 423400 -73.9988 17.3269 -26.4032 17.3269 59.9033 -88.9792 -26.4031 -88.9793 9.04049 GPRESSAVG: 423400 -74.8084 15.138 -29.0512 16.7557 59.8119 -87.7919 -26.245 -88.1633 10.0452 TIMING: 423400 CPU: 1252.35, 0.00295501/step Wall: 1252.35, 0.00295501/step, 3.75664 hours remaining, 205.714844 MB of memory in use. ENERGY: 423400 742.6292 2093.8348 1959.2138 109.9685 -206201.2578 17740.4177 0.0000 0.0000 34366.5586 -149188.6350 300.1317 -183555.1936 -149102.4390 299.6043 -137.5761 -103.2135 560006.3028 -1.6850 -1.6505 PRESSURE: 423600 69.2587 39.519 56.8754 39.5194 125.486 25.7506 56.8767 25.7497 64.7525 GPRESSURE: 423600 106.343 79.5518 88.3554 71.9091 216.07 -22.3034 151.278 154.368 22.0431 PRESSAVG: 423600 67.8042 16.8159 45.9498 16.816 78.9368 -43.8832 45.9499 -43.8833 -103.172 GPRESSAVG: 423600 68.6814 18.9854 47.7818 14.8278 78.1644 -45.5741 46.0589 -44.9757 -102.882 TIMING: 423600 CPU: 1252.94, 0.00295535/step Wall: 1252.94, 0.00295535/step, 3.75691 hours remaining, 205.714844 MB of memory in use. ENERGY: 423600 714.3559 2121.1661 1973.0150 128.8301 -206115.2074 17855.5286 0.0000 0.0000 34373.3992 -148948.9125 300.1914 -183322.3118 -148855.2361 299.9291 86.4991 114.8186 558416.3659 14.5231 14.6547 PRESSURE: 423800 182.745 146.924 83.8801 146.924 -82.1889 51.5295 83.8802 51.5308 -367.494 GPRESSURE: 423800 102.588 177.2 53.3019 84.6632 -0.885404 90.7761 93.4263 40.4215 -263.025 PRESSAVG: 423800 37.551 49.6221 36.8464 49.6223 -29.711 34.3006 36.8464 34.3006 -18.8177 GPRESSAVG: 423800 38.3223 47.7551 35.0475 52.6107 -29.4393 34.0201 37.702 35.2667 -20.0682 TIMING: 423800 CPU: 1253.53, 0.00294283/step Wall: 1253.53, 0.00294283/step, 3.74083 hours remaining, 205.714844 MB of memory in use. ENERGY: 423800 756.4608 2070.5739 1945.5606 110.9343 -206135.2121 17827.4390 0.0000 0.0000 34353.0993 -149071.1442 300.0142 -183424.2435 -148974.7312 300.2490 -88.9795 -53.7741 557405.2776 -3.6593 -3.7284 PRESSURE: 424000 31.2935 219.575 -26.6143 219.577 109.91 134.556 -26.6146 134.555 8.10942 GPRESSURE: 424000 50.2146 254.612 -52.3596 176.692 150.272 156.184 -97.1959 48.3741 47.2249 PRESSAVG: 424000 16.2882 67.4223 -25.7352 67.4223 7.55852 38.5846 -25.7352 38.5845 -81.8685 GPRESSAVG: 424000 15.697 68.5604 -24.7963 64.0786 8.49162 42.2678 -27.3026 36.8202 -81.6127 TIMING: 424000 CPU: 1254.12, 0.00296219/step Wall: 1254.12, 0.00296219/step, 3.76527 hours remaining, 205.714844 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: 424000 734.4825 2077.9046 1938.5278 110.3610 -206266.4256 17857.2309 0.0000 0.0000 34460.8640 -149087.0548 300.9553 -183547.9188 -148995.2993 299.8770 49.7708 82.5706 557235.9403 -19.3406 -19.1414 PRESSURE: 424200 -59.1418 139.792 -20.9528 139.792 153.414 25.0131 -20.9523 25.0132 34.365 GPRESSURE: 424200 -60.4589 152.891 33.1351 123.343 201.166 18.5834 -71.986 -9.46674 72.0699 PRESSAVG: 424200 4.77341 52.5386 -11.2737 52.5386 16.95 25.2419 -11.2736 25.242 -28.7812 GPRESSAVG: 424200 4.24075 52.6022 -11.8047 52.1907 16.0584 22.9281 -10.7932 27.91 -27.8817 TIMING: 424200 CPU: 1254.72, 0.00298808/step Wall: 1254.72, 0.00298808/step, 3.79801 hours remaining, 205.714844 MB of memory in use. ENERGY: 424200 757.1240 2159.6830 1962.5537 126.6793 -206358.4262 17935.8508 0.0000 0.0000 34325.6120 -149090.9234 299.7741 -183416.5354 -148985.8179 299.4490 42.8790 70.9258 557997.5692 -2.3526 -2.5275 LDB: ============= START OF LOAD BALANCING ============== 1258.14 LDB: ============== END OF LOAD BALANCING =============== 1258.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1258.14 LDB: ============= START OF LOAD BALANCING ============== 1258.44 LDB: Largest compute 4848 load 0.031494 is 26.7% of average load 0.117747 LDB: Average compute 0.001737 is 1.5% of average load 0.117747 LDB: TIME 1258.44 LOAD: AVG 0.117747 MAX 0.198644 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.773 MB LDB: TIME 1258.44 LOAD: AVG 0.117747 MAX 0.198644 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.816 MB LDB: TIME 1258.44 LOAD: AVG 0.117747 MAX 0.198644 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.816 MB LDB: ============== END OF LOAD BALANCING =============== 1258.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1258.45 PRESSURE: 424400 112.787 -110.097 -12.0255 -110.097 342.488 -13.8513 -12.0269 -13.8502 201.809 GPRESSURE: 424400 160.75 -39.445 -18.5624 -33.1971 357.584 -18.01 -66.5433 82.7488 235.728 PRESSAVG: 424400 -28.3138 15.6354 -30.5276 15.6354 79.8493 9.52055 -30.5275 9.52059 -91.1234 GPRESSAVG: 424400 -27.3181 15.749 -29.9927 16.7419 79.8249 9.17694 -30.2797 8.29829 -92.2769 TIMING: 424400 CPU: 1255.32, 0.00302325/step Wall: 1255.32, 0.00302325/step, 3.84255 hours remaining, 206.031250 MB of memory in use. ENERGY: 424400 695.3474 2088.0607 1976.6081 109.2604 -206572.8457 18095.6312 0.0000 0.0000 34460.9655 -149146.9723 300.9562 -183607.9379 -149053.2744 299.7717 219.0283 251.3542 557422.8047 -13.1960 -13.2567 PRESSURE: 424600 -23.0256 32.7663 -92.162 32.766 -95.009 -15.9242 -92.1621 -15.9247 -199.329 GPRESSURE: 424600 -22.8217 8.30072 -43.4226 50.5263 -34.8591 -67.208 -103.953 -39.1616 -152.971 PRESSAVG: 424600 73.096 14.3324 -15.5285 14.3324 20.5771 -5.72833 -15.5286 -5.72826 -61.2796 GPRESSAVG: 424600 71.8232 13.8536 -15.4609 14.595 21.5711 -5.06941 -16.2129 -5.36803 -60.995 TIMING: 424600 CPU: 1255.91, 0.00295913/step Wall: 1255.91, 0.00295913/step, 3.76089 hours remaining, 206.031250 MB of memory in use. ENERGY: 424600 725.3211 2065.7241 1972.2658 110.7549 -205906.8979 17610.1824 0.0000 0.0000 34132.5982 -149290.0515 298.0885 -183422.6496 -149195.0533 298.8616 -105.7877 -70.2171 557742.0005 10.7978 10.7998 PRESSURE: 424800 -286.741 128.626 78.9367 128.625 165.456 -109.532 78.9373 -109.532 58.5519 GPRESSURE: 424800 -175.254 109.318 123.556 99.5019 171.081 -32.5352 51.785 -107.909 34.0575 PRESSAVG: 424800 -49.695 -22.5689 -34.9593 -22.5688 91.9917 -11.8668 -34.9593 -11.8669 1.81696 GPRESSAVG: 424800 -49.2924 -23.0259 -34.2669 -22.2353 90.9831 -12.2122 -35.5938 -13.1749 2.24851 TIMING: 424800 CPU: 1256.5, 0.00295215/step Wall: 1256.5, 0.00295215/step, 3.75185 hours remaining, 206.031250 MB of memory in use. ENERGY: 424800 737.5725 2092.5616 1957.9383 104.5639 -206048.5675 17761.4938 0.0000 0.0000 34121.3909 -149273.0466 297.9906 -183394.4375 -149170.6185 298.6935 -20.9111 9.9617 557045.3351 14.7046 14.6464 PRESSURE: 425000 -91.664 -83.455 49.5648 -83.4553 109.997 -106.168 49.5653 -106.168 1.78912 GPRESSURE: 425000 -52.5961 -120.612 9.50013 -47.5313 122.453 -152.853 2.8641 -69.2149 45.955 PRESSAVG: 425000 -56.4356 -27.0916 20.8647 -27.0917 27.7054 -70.689 20.8648 -70.6889 8.53244 GPRESSAVG: 425000 -56.8436 -25.1359 19.9898 -28.1875 28.8507 -71.0717 21.2474 -69.1679 7.84758 TIMING: 425000 CPU: 1257.09, 0.00295371/step Wall: 1257.09, 0.00295371/step, 3.75368 hours remaining, 206.031250 MB of memory in use. ENERGY: 425000 701.8210 2043.4522 1969.6852 119.0166 -206160.0438 17649.1641 0.0000 0.0000 34421.8875 -149255.0173 300.6149 -183676.9048 -149151.9469 299.2718 6.7073 38.6040 555987.3816 -6.7326 -6.7151 PRESSURE: 425200 83.7202 -138.834 84.5627 -138.835 266.879 -228.116 84.5646 -228.115 -3.25352 GPRESSURE: 425200 43.4155 -171.712 10.1263 -82.3382 286.762 -213.17 88.313 -253.739 119.048 PRESSAVG: 425200 8.13976 -6.51197 11.0423 -6.51191 4.06793 -33.0661 11.0423 -33.066 -1.64696 GPRESSAVG: 425200 7.95003 -7.11068 10.0166 -6.79737 4.27449 -31.2259 12.24 -35.1882 -0.832215 TIMING: 425200 CPU: 1257.68, 0.00294992/step Wall: 1257.68, 0.00294992/step, 3.74869 hours remaining, 206.039062 MB of memory in use. ENERGY: 425200 718.0392 2070.0257 1943.8215 112.0469 -206407.6652 17997.9431 0.0000 0.0000 34291.2533 -149274.5355 299.4740 -183565.7888 -149183.5272 299.7101 115.7819 149.7418 556249.8222 3.5202 3.7974 PRESSURE: 425400 -46.4549 -19.9914 -50.8992 -19.9915 -101.419 97.1217 -50.8986 97.122 30.3652 GPRESSURE: 425400 9.11252 37.2271 40.9428 -8.60054 -69.9505 119.882 -35.0047 64.1447 45.8504 PRESSAVG: 425400 -34.5064 27.6679 7.1595 27.6679 13.7932 16.5489 7.15946 16.5488 6.01743 GPRESSAVG: 425400 -34.4742 25.7513 7.0591 28.0736 13.3265 15.0563 7.37058 17.462 6.32618 TIMING: 425400 CPU: 1258.27, 0.00295107/step Wall: 1258.27, 0.00295107/step, 3.75 hours remaining, 206.039062 MB of memory in use. ENERGY: 425400 756.9245 2114.9410 1920.0152 108.8857 -206050.8159 17624.5942 0.0000 0.0000 34266.1281 -149259.3272 299.2546 -183525.4553 -149162.3532 299.5221 -39.1695 -4.9959 557180.1586 -4.8986 -4.9405 PRESSURE: 425600 -299.992 2.39657 25.3437 2.39575 1.65288 -27.4176 25.3436 -27.4188 -99.5753 GPRESSURE: 425600 -250.35 -34.3599 23.5919 23.9174 67.5052 -40.0077 20.5919 -10.6423 -123.065 PRESSAVG: 425600 -40.6787 13.4468 52.2898 13.4468 50.1646 40.7197 52.2898 40.7198 14.6427 GPRESSAVG: 425600 -40.1252 14.9319 53.0471 14.9717 50.5203 40.7121 53.9659 41.2523 14.5455 TIMING: 425600 CPU: 1258.86, 0.00293811/step Wall: 1258.86, 0.00293811/step, 3.73336 hours remaining, 206.039062 MB of memory in use. ENERGY: 425600 763.1430 2093.4857 1950.1665 104.1352 -206199.0559 17640.9733 0.0000 0.0000 34445.9221 -149201.2300 300.8248 -183647.1521 -149099.6966 299.3542 -132.6382 -101.9697 557443.9991 8.0429 8.3135 PRESSURE: 425800 -96.759 137.818 48.3756 137.818 -57.2371 81.2944 48.3744 81.2925 -351.763 GPRESSURE: 425800 -53.2646 202.636 89.4612 55.2471 -63.1332 43.8164 21.4914 147.761 -280.85 PRESSAVG: 425800 -43.3577 35.0394 -18.7867 35.0394 86.4984 36.7202 -18.7867 36.7201 5.79774 GPRESSAVG: 425800 -42.7766 33.9155 -17.0017 33.1885 84.6193 36.1393 -21.408 36.4139 6.50789 TIMING: 425800 CPU: 1259.45, 0.00292568/step Wall: 1259.45, 0.00292568/step, 3.7174 hours remaining, 206.039062 MB of memory in use. ENERGY: 425800 782.1477 2077.7973 1945.8599 106.7027 -206272.7153 17789.4900 0.0000 0.0000 34384.8839 -149185.8339 300.2917 -183570.7177 -149086.3838 299.4603 -168.5864 -132.4158 557086.8041 16.3128 16.1169 PRESSURE: 426000 -4.3891 19.623 -93.51 19.6233 -25.2199 290.8 -93.5092 290.801 151.283 GPRESSURE: 426000 7.55994 -83.7402 5.23528 110.116 64.214 238.732 -119.273 278.137 146.378 PRESSAVG: 426000 17.5943 16.6007 31.275 16.6009 -9.99261 -19.6575 31.275 -19.6575 4.59969 GPRESSAVG: 426000 16.9379 19.6386 29.8575 17.0746 -8.00535 -20.4246 31.7329 -18.6229 3.5736 TIMING: 426000 CPU: 1260.03, 0.00293605/step Wall: 1260.03, 0.00293605/step, 3.73042 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: 426000 787.3367 2112.9071 1963.2279 108.2084 -206364.5832 17848.9823 0.0000 0.0000 34281.2803 -149262.6405 299.3869 -183543.9208 -149168.7476 300.1891 40.5579 72.7174 556753.1013 4.0671 4.1687 PRESSURE: 426200 84.8562 128.704 52.9257 128.703 -109.855 0.137361 52.9261 0.137357 220.904 GPRESSURE: 426200 90.3782 185.817 110.711 94.7678 -44.9478 -67.8704 59.6637 -4.69115 252.784 PRESSAVG: 426200 -42.9528 -12.4497 48.7068 -12.4497 -11.2617 41.3292 48.7068 41.3291 24.7403 GPRESSAVG: 426200 -43.4837 -14.5924 49.7417 -11.698 -10.4169 43.2755 49.3498 40.5695 23.7321 TIMING: 426200 CPU: 1260.62, 0.0029497/step Wall: 1260.62, 0.0029497/step, 3.7476 hours remaining, 206.039062 MB of memory in use. ENERGY: 426200 726.1052 2145.3048 1928.4267 99.6689 -206586.7902 18120.8570 0.0000 0.0000 34313.6858 -149252.7419 299.6700 -183566.4276 -149148.7738 299.1463 65.3018 99.4047 558074.3964 -9.8247 -10.0562 PRESSURE: 426400 39.8713 99.8967 -34.9827 99.8971 -34.717 46.1721 -34.98 46.1722 -127.722 GPRESSURE: 426400 21.6945 123.521 -40.2905 86.4819 52.5334 87.8869 -164.351 -22.7175 -104.927 PRESSAVG: 426400 -32.1401 -1.84731 9.93769 -1.8473 21.652 79.1838 9.93762 79.1838 -21.5311 GPRESSAVG: 426400 -31.6234 0.405443 7.24463 -3.93059 21.2168 78.6908 8.32484 77.0051 -21.2533 TIMING: 426400 CPU: 1261.21, 0.00294441/step Wall: 1261.21, 0.00294441/step, 3.7407 hours remaining, 206.039062 MB of memory in use. ENERGY: 426400 765.8348 2141.3286 1974.7435 111.4474 -206456.4694 17919.9444 0.0000 0.0000 34210.9557 -149332.2149 298.7728 -183543.1706 -149235.8065 299.2258 -40.8558 -10.2329 556661.9163 -10.6731 -10.5533 PRESSURE: 426600 -145.452 -38.8467 84.1692 -38.8473 10.2029 54.8827 84.1696 54.8819 71.702 GPRESSURE: 426600 -56.1407 -77.813 79.68 56.3445 19.8356 20.3423 120.77 51.9252 73.3372 PRESSAVG: 426600 23.6363 -9.39338 10.7735 -9.39341 -34.1117 7.54543 10.7735 7.54534 5.04098 GPRESSAVG: 426600 23.1122 -10.2677 12.3552 -7.27685 -34.0321 5.96773 13.3961 10.8668 5.90891 TIMING: 426600 CPU: 1261.8, 0.00294312/step Wall: 1261.8, 0.00294312/step, 3.73891 hours remaining, 206.039062 MB of memory in use. ENERGY: 426600 762.8069 2062.8627 1958.9659 105.8781 -206482.8049 17888.2803 0.0000 0.0000 34327.7381 -149376.2730 299.7927 -183704.0111 -149280.7106 299.3334 -21.1825 12.3440 558297.2059 -1.8115 -1.6703 PRESSURE: 426800 -278.683 -79.6266 31.8977 -79.6258 208.67 95.4227 31.8976 95.4241 291.432 GPRESSURE: 426800 -177.563 -89.4143 19.3349 -7.15521 223.783 89.4762 49.3875 39.5145 266.504 PRESSAVG: 426800 -66.5599 -6.11181 -0.796831 -6.11177 14.6317 -10.2834 -0.796762 -10.2835 41.5881 GPRESSAVG: 426800 -65.3534 -9.54903 -0.604903 -4.35282 13.6981 -11.2295 -1.28263 -13.1994 41.1837 TIMING: 426800 CPU: 1262.39, 0.00295728/step Wall: 1262.39, 0.00295728/step, 3.75673 hours remaining, 206.039062 MB of memory in use. ENERGY: 426800 766.0565 2107.2204 1952.3319 111.2104 -206568.2462 18004.4019 0.0000 0.0000 34158.4613 -149468.5636 298.3143 -183627.0249 -149374.6495 298.3872 73.8061 104.2412 557584.3864 -3.4467 -3.4905 PRESSURE: 427000 -39.81 64.9905 32.6174 64.9913 48.5504 -54.4484 32.6173 -54.4468 -204.053 GPRESSURE: 427000 59.9929 60.8989 -54.0207 100.747 21.6593 -19.259 27.1724 -73.7756 -190.394 PRESSAVG: 427000 -52.4125 -48.114 52.4674 -48.114 28.0092 16.3821 52.4675 16.3822 8.4128 GPRESSAVG: 427000 -52.7179 -45.2457 52.2065 -51.0585 28.9265 17.1934 51.4141 18.1034 7.98681 TIMING: 427000 CPU: 1262.98, 0.00295062/step Wall: 1262.98, 0.00295062/step, 3.74811 hours remaining, 206.039062 MB of memory in use. ENERGY: 427000 741.1244 2151.8329 1953.8657 109.5264 -206090.1868 17604.8448 0.0000 0.0000 34314.5637 -149214.4290 299.6776 -183528.9927 -149112.4229 298.9575 -65.1042 -36.2474 558097.3816 -5.3301 -5.2682 PRESSURE: 427200 42.187 -87.5704 -116.716 -87.5701 -45.2039 38.3881 -116.716 38.3866 -322.766 GPRESSURE: 427200 95.9216 -48.6898 -115.303 -67.4068 -19.8414 -11.7827 -130.709 -53.1429 -299.624 PRESSAVG: 427200 26.4626 -24.5789 -43.6559 -24.5789 -4.66367 -23.5241 -43.6559 -23.5241 -18.7037 GPRESSAVG: 427200 24.986 -23.9372 -43.8506 -22.9196 -4.33415 -24.0423 -42.4458 -24.0986 -17.5297 TIMING: 427200 CPU: 1263.57, 0.00294108/step Wall: 1263.57, 0.00294108/step, 3.73582 hours remaining, 206.039062 MB of memory in use. ENERGY: 427200 759.8895 2107.3277 1964.7837 124.2172 -206132.8656 17679.4844 0.0000 0.0000 34333.9167 -149163.2464 299.8466 -183497.1630 -149064.6060 299.4427 -108.5942 -74.5146 557664.2936 1.0317 1.0407 PRESSURE: 427400 34.5858 54.0027 68.1235 54.0025 -124.537 -5.70523 68.1234 -5.70445 105.625 GPRESSURE: 427400 74.5903 -10.421 55.9462 11.5413 -142.874 35.177 94.9418 -55.112 164.423 PRESSAVG: 427400 -7.94277 -16.7592 8.88906 -16.7592 -47.3807 30.6609 8.88899 30.661 47.368 GPRESSAVG: 427400 -6.5057 -17.8666 9.006 -17.9527 -48.2401 30.3231 9.05409 30.9558 46.3889 TIMING: 427400 CPU: 1264.16, 0.00293586/step Wall: 1264.16, 0.00293586/step, 3.72904 hours remaining, 206.039062 MB of memory in use. ENERGY: 427400 744.7685 2097.4029 1951.2937 114.0763 -206048.1171 17749.6927 0.0000 0.0000 34220.6429 -149170.2401 298.8574 -183390.8830 -149077.0261 299.2939 5.2245 32.0467 558255.3965 -2.6518 -2.7856 PRESSURE: 427600 -188.596 -9.84669 98.263 -9.84747 -96.4283 20.3911 98.2646 20.3894 -118.609 GPRESSURE: 427600 -134.655 1.94322 20.5291 56.1199 -49.0077 57.9113 168.361 -26.266 -120.953 PRESSAVG: 427600 -9.14291 -26.5229 29.8355 -26.5231 5.32401 0.423979 29.8354 0.424 30.8068 GPRESSAVG: 427600 -9.47966 -26.6777 29.168 -26.1076 6.04992 1.57533 29.3059 -0.0359774 30.6508 TIMING: 427600 CPU: 1264.74, 0.00293446/step Wall: 1264.74, 0.00293446/step, 3.7271 hours remaining, 206.039062 MB of memory in use. ENERGY: 427600 758.0197 2076.0872 1938.2860 112.0931 -206043.6444 17597.5486 0.0000 0.0000 34420.0956 -149141.5141 300.5993 -183561.6097 -149042.3341 299.9705 -134.5444 -101.5384 557853.6262 8.9960 9.0737 PRESSURE: 427800 -45.4697 -4.50821 -165.017 -4.50877 -109.395 67.6513 -165.016 67.6532 -35.3417 GPRESSURE: 427800 -8.69214 38.4137 -153.965 -20.236 -80.8931 72.9843 -243.549 16.7974 -2.67458 PRESSAVG: 427800 45.4613 40.7754 -26.7061 40.7753 -36.8243 -33.682 -26.706 -33.682 -66.3281 GPRESSAVG: 427800 45.2237 41.1342 -25.8629 38.7469 -36.9373 -33.7042 -28.5028 -33.51 -65.7931 TIMING: 427800 CPU: 1265.33, 0.00294176/step Wall: 1265.33, 0.00294176/step, 3.7362 hours remaining, 206.039062 MB of memory in use. ENERGY: 427800 720.9801 2057.0977 1945.4542 108.3881 -206131.0683 17734.0609 0.0000 0.0000 34304.6898 -149260.3975 299.5914 -183565.0874 -149165.2587 298.7789 -63.4023 -30.7533 558330.9846 -19.2304 -19.1689 PRESSURE: 428000 -93.404 -142.416 -42.0803 -142.416 -139.813 53.5752 -42.081 53.5747 -239.234 GPRESSURE: 428000 -92.2492 -90.8235 -68.9369 -108.256 -158.482 54.2046 -37.2282 73.0799 -132.817 PRESSAVG: 428000 -16.0519 -1.39166 -3.43689 -1.39177 13.1844 1.57277 -3.43693 1.57294 -3.80232 GPRESSAVG: 428000 -16.0724 -1.00114 -4.33282 2.16183 12.6333 1.85159 -1.38244 1.66349 -3.11198 TIMING: 428000 CPU: 1265.93, 0.00296116/step Wall: 1265.93, 0.00296116/step, 3.76067 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: 428000 717.4436 2075.9922 1934.8828 115.8791 -206114.0396 17658.5700 0.0000 0.0000 34270.2316 -149341.0404 299.2905 -183611.2720 -149238.5561 298.7626 -157.4836 -127.8496 558369.7329 -2.2233 -2.1837 PRESSURE: 428200 161.306 -172.516 28.6419 -172.515 -57.7919 34.2421 28.6426 34.2419 -40.2301 GPRESSURE: 428200 134.266 -64.7148 68.0658 -196.25 6.27349 105.132 27.1664 61.3504 19.7734 PRESSAVG: 428200 16.2638 -15.9549 29.1242 -15.9549 8.641 -30.651 29.1241 -30.6509 -8.55196 GPRESSAVG: 428200 16.6789 -15.4596 30.7757 -16.5839 9.54579 -29.5055 29.0114 -31.7566 -10.21 TIMING: 428200 CPU: 1266.52, 0.00295097/step Wall: 1266.52, 0.00295097/step, 3.74757 hours remaining, 206.039062 MB of memory in use. ENERGY: 428200 726.1972 2106.8071 1941.2061 100.5425 -206134.4307 17847.4730 0.0000 0.0000 34120.1830 -149292.0218 297.9800 -183412.2049 -149195.0923 298.4300 21.0947 53.4378 559060.0236 5.4509 5.3382 LDB: ============= START OF LOAD BALANCING ============== 1269.94 LDB: ============== END OF LOAD BALANCING =============== 1269.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1269.94 LDB: ============= START OF LOAD BALANCING ============== 1270.24 LDB: Largest compute 4848 load 0.031032 is 26.3% of average load 0.117790 LDB: Average compute 0.001730 is 1.5% of average load 0.117790 LDB: TIME 1270.24 LOAD: AVG 0.11779 MAX 0.197675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.242 MB LDB: TIME 1270.24 LOAD: AVG 0.11779 MAX 0.197675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.445 MB LDB: TIME 1270.24 LOAD: AVG 0.11779 MAX 0.197675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1270.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1270.25 PRESSURE: 428400 -114.901 -52.0264 -26.4988 -52.0264 -44.8236 -63.1286 -26.4998 -63.1284 20.2078 GPRESSURE: 428400 -111.668 -81.0899 -87.6541 -34.4459 22.1605 -42.9197 35.3273 -11.1356 47.6366 PRESSAVG: 428400 -20.0766 14.5189 32.9629 14.519 17.6515 -9.03539 32.9628 -9.03538 11.5963 GPRESSAVG: 428400 -21.47 15.1553 29.8994 13.8474 17.3934 -10.505 34.0117 -8.05397 13.2152 TIMING: 428400 CPU: 1267.12, 0.00302108/step Wall: 1267.12, 0.00302108/step, 3.83643 hours remaining, 203.730469 MB of memory in use. ENERGY: 428400 735.2217 2047.0043 1950.5341 112.8200 -206027.3929 17872.0240 0.0000 0.0000 34092.3090 -149217.4799 297.7366 -183309.7889 -149121.4674 299.1298 -46.5055 -13.9568 558294.0683 3.0571 3.0462 PRESSURE: 428600 -95.3818 -77.5713 177.558 -77.5699 4.10592 55.9844 177.558 55.9845 -64.9713 GPRESSURE: 428600 -78.3661 -44.1411 204.763 -91.2764 25.2571 138.214 153.393 51.9298 -5.52305 PRESSAVG: 428600 51.6793 -35.8635 -17.2447 -35.8636 -9.14596 -7.59128 -17.2448 -7.59132 6.40884 GPRESSAVG: 428600 53.0405 -36.7211 -17.1809 -34.9698 -9.35141 -6.06991 -17.9967 -9.37803 5.1994 TIMING: 428600 CPU: 1267.71, 0.00297173/step Wall: 1267.71, 0.00297173/step, 3.7736 hours remaining, 203.730469 MB of memory in use. ENERGY: 428600 739.7462 2059.6112 1980.7928 107.9641 -206174.9641 17885.3642 0.0000 0.0000 34213.3334 -149188.1521 298.7936 -183401.4856 -149094.2024 298.8920 -52.0824 -19.5440 558768.5884 16.3141 16.2962 PRESSURE: 428800 -124.326 -20.2088 116.495 -20.2088 50.2486 45.8381 116.495 45.8395 -97.3745 GPRESSURE: 428800 -81.2762 22.032 168.106 -8.31993 93.0606 -35.2104 121.49 138.005 -88.2702 PRESSAVG: 428800 -2.55719 10.8641 -8.82119 10.8642 34.4621 36.0233 -8.8212 36.0232 -81.6858 GPRESSAVG: 428800 -2.63022 11.2002 -7.29384 8.96257 34.5368 35.8023 -8.78357 36.5181 -81.4992 TIMING: 428800 CPU: 1268.3, 0.0029474/step Wall: 1268.3, 0.0029474/step, 3.74254 hours remaining, 203.730469 MB of memory in use. ENERGY: 428800 700.3144 2093.8540 1953.1532 116.9658 -206196.8179 17853.6214 0.0000 0.0000 34488.8389 -148990.0703 301.1996 -183478.9092 -148895.1809 299.2211 -57.1507 -25.4953 558675.8811 -16.5936 -16.5308 PRESSURE: 429000 93.185 -98.0996 243.783 -98.0995 173.786 16.2303 243.782 16.2287 225.772 GPRESSURE: 429000 137.83 -66.9265 206.751 -167.697 221.904 10.3832 126.387 -10.5351 227.738 PRESSAVG: 429000 -38.8353 -4.50834 -1.79492 -4.50825 42.5558 -11.9581 -1.7949 -11.958 -20.1703 GPRESSAVG: 429000 -38.7601 -4.13803 -3.6966 -3.67258 42.1418 -12.1519 -1.50629 -9.95197 -19.7658 TIMING: 429000 CPU: 1268.89, 0.00295296/step Wall: 1268.89, 0.00295296/step, 3.74945 hours remaining, 203.730469 MB of memory in use. ENERGY: 429000 711.4894 2130.5626 1942.8349 111.5534 -206587.3158 18067.0750 0.0000 0.0000 34321.5938 -149302.2067 299.7390 -183623.8005 -149202.3694 299.2840 164.2475 195.8237 556848.2610 -5.4833 -5.4613 PRESSURE: 429200 -522.593 60.8393 -35.611 60.8392 -333.969 152.008 -35.608 152.009 -200.721 GPRESSURE: 429200 -468.461 30.7212 -60.839 86.7141 -275.423 155.655 35.2146 113.874 -214.688 PRESSAVG: 429200 86.9999 -28.4078 -27.2847 -28.4079 -52.3667 -3.44752 -27.2846 -3.44751 36.6675 GPRESSAVG: 429200 88.5907 -29.3592 -27.2788 -25.2994 -52.8434 -1.97137 -27.5184 -4.2997 35.9044 TIMING: 429200 CPU: 1269.49, 0.00296305/step Wall: 1269.49, 0.00296305/step, 3.76209 hours remaining, 203.730469 MB of memory in use. ENERGY: 429200 737.0470 2085.6756 1953.0419 109.8788 -205961.4805 17445.1140 0.0000 0.0000 34305.3564 -149325.3668 299.5972 -183630.7232 -149226.6005 299.5436 -352.4275 -319.5240 559471.4042 23.7669 23.8839 PRESSURE: 429400 -115.642 -101.003 -17.5038 -101.002 -143.917 -113.995 -17.5029 -113.997 -145.917 GPRESSURE: 429400 -38.3106 -128.42 -40.9816 -101.984 -177.051 -112.391 36.3293 -90.0077 -98.5434 PRESSAVG: 429400 30.6787 -43.7942 12.9164 -43.7942 -18.4166 45.1988 12.9164 45.1987 43.7675 GPRESSAVG: 429400 29.1285 -46.324 15.0041 -47.1355 -17.6807 44.1336 10.1704 45.46 44.3497 TIMING: 429400 CPU: 1270.08, 0.00295357/step Wall: 1270.08, 0.00295357/step, 3.74988 hours remaining, 203.730469 MB of memory in use. ENERGY: 429400 768.1723 2169.9021 1975.0198 120.5446 -206296.3715 17817.1641 0.0000 0.0000 34249.0446 -149196.5240 299.1054 -183445.5686 -149100.9269 299.1243 -135.1588 -104.6351 560556.2591 18.6766 18.5992 PRESSURE: 429600 -55.2263 -48.587 144.326 -48.5874 -29.7379 -44.0827 144.326 -44.0833 53.2896 GPRESSURE: 429600 -22.6756 -94.4957 130.255 -53.936 -20.3917 -30.5247 66.4965 20.8127 118.7 PRESSAVG: 429600 17.2676 27.4986 15.6364 27.4986 -53.7015 -42.0794 15.6364 -42.0794 20.4126 GPRESSAVG: 429600 17.0757 26.9101 14.055 28.725 -54.5092 -42.3033 18.1813 -41.2303 21.3927 TIMING: 429600 CPU: 1270.66, 0.00292964/step Wall: 1270.66, 0.00292964/step, 3.71935 hours remaining, 203.730469 MB of memory in use. ENERGY: 429600 719.9475 2094.2342 1988.6636 101.7317 -206094.7877 17829.9955 0.0000 0.0000 34256.3365 -149103.8788 299.1691 -183360.2152 -149003.6537 300.0090 -10.5582 25.2109 558989.3344 -5.3404 -5.3469 PRESSURE: 429800 -324.145 -90.3293 26.3063 -90.3301 120.156 12.3392 26.3054 12.3396 330.292 GPRESSURE: 429800 -288.373 -80.0866 28.0742 -162.399 203.941 29.1077 52.7989 25.2436 309.939 PRESSAVG: 429800 12.7431 14.6141 12.7446 14.6142 -71.4601 18.8179 12.7447 18.8178 86.0777 GPRESSAVG: 429800 12.8779 15.5267 14.7193 13.8203 -70.3336 18.4916 11.3256 16.3904 84.9416 TIMING: 429800 CPU: 1271.25, 0.00293958/step Wall: 1271.25, 0.00293958/step, 3.7318 hours remaining, 203.730469 MB of memory in use. ENERGY: 429800 759.8108 2141.5575 1950.9051 110.0466 -206139.0816 17987.5597 0.0000 0.0000 34037.7833 -149151.4186 297.2604 -183189.2019 -149055.5395 299.5369 42.1008 75.1688 558992.7218 9.1202 9.1619 PRESSURE: 430000 -11.1448 91.5929 50.1513 91.5921 40.3038 33.9839 50.1516 33.9844 58.646 GPRESSURE: 430000 -16.7053 86.264 77.771 109.479 129.242 1.70452 52.8705 -2.31033 71.8903 PRESSAVG: 430000 -68.4853 -14.5438 24.3588 -14.5438 14.9156 23.7886 24.3587 23.7886 42.8416 GPRESSAVG: 430000 -69.6091 -12.6794 22.2952 -13.4931 15.2211 24.8983 25.5046 24.1064 43.6323 TIMING: 430000 CPU: 1271.84, 0.00294676/step Wall: 1271.84, 0.00294676/step, 3.74075 hours remaining, 203.730469 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: 430000 737.0797 2099.9309 1953.3476 118.9407 -206412.1405 18010.5874 0.0000 0.0000 34263.8462 -149228.4082 299.2347 -183492.2543 -149125.6148 299.0903 29.2683 61.4758 557462.7032 -3.5760 -3.5852 PRESSURE: 430200 -37.3971 57.1355 -7.3035 57.1365 -0.619116 108.095 -7.30316 108.095 10.3739 GPRESSURE: 430200 34.0239 44.5319 -115.061 102.373 5.06092 106.017 36.4219 98.0305 28.0526 PRESSAVG: 430200 -56.3568 24.3613 37.4787 24.3613 48.4641 0.965517 37.4786 0.965619 -20.2914 GPRESSAVG: 430200 -54.6173 24.5304 38.4807 20.1496 48.3531 -1.04913 35.9442 3.56312 -21.9758 TIMING: 430200 CPU: 1272.43, 0.00294032/step Wall: 1272.43, 0.00294032/step, 3.73241 hours remaining, 203.730469 MB of memory in use. ENERGY: 430200 747.4182 2109.9038 1956.9965 122.0749 -206187.3341 17827.0591 0.0000 0.0000 34404.0094 -149019.8723 300.4588 -183423.8817 -148922.3584 299.5785 -9.2141 22.3792 558011.1026 -9.3947 -9.4133 PRESSURE: 430400 17.6276 17.7963 -188.18 17.7968 187.542 98.2309 -188.18 98.2313 0.451399 GPRESSURE: 430400 23.9508 22.7745 -107.357 -94.6742 200.473 48.6358 -285.037 205.274 92.5176 PRESSAVG: 430400 -4.57086 -19.3468 -53.7303 -19.3468 -19.8522 25.2364 -53.7304 25.2362 5.77389 GPRESSAVG: 430400 -5.54552 -20.089 -53.128 -15.9968 -20.3775 24.9243 -52.4922 23.0646 6.56605 TIMING: 430400 CPU: 1273.02, 0.00295838/step Wall: 1273.02, 0.00295838/step, 3.75516 hours remaining, 203.730469 MB of memory in use. ENERGY: 430400 815.0052 2105.0868 1961.6652 124.0328 -206470.7051 18004.2394 0.0000 0.0000 34299.6664 -149161.0093 299.5475 -183460.6757 -149066.2055 299.8157 68.5405 105.6473 557935.7999 -6.2164 -6.4523 PRESSURE: 430600 261.243 -101.449 94.5748 -101.449 -52.5555 -89.9274 94.5748 -89.9284 -67.6818 GPRESSURE: 430600 251.058 -66.0374 61.0953 -93.7614 -34.334 -23.3502 118.499 -78.8953 13.8494 PRESSAVG: 430600 51.3086 -0.148407 -26.5841 -0.14831 18.1087 -21.6419 -26.584 -21.6419 -79.5655 GPRESSAVG: 430600 50.9825 0.932395 -25.5418 -0.855359 17.479 -20.753 -24.2737 -21.6851 -79.1409 TIMING: 430600 CPU: 1273.61, 0.00295479/step Wall: 1273.61, 0.00295479/step, 3.75045 hours remaining, 203.730469 MB of memory in use. ENERGY: 430600 720.8277 2184.8935 1960.4091 113.5617 -206147.7280 17732.3234 0.0000 0.0000 34279.0451 -149156.6675 299.3674 -183435.7126 -149054.7258 299.0824 47.0019 76.8577 558317.0944 -3.3827 -3.5598 PRESSURE: 430800 -42.944 16.7131 112.223 16.7133 104.162 31.4485 112.222 31.4494 459.147 GPRESSURE: 430800 20.6985 -17.9985 120.316 62.706 131.213 115.033 96.1301 59.9892 468.193 PRESSAVG: 430800 1.68922 60.5758 13.534 60.5757 -4.16348 39.0177 13.534 39.0177 4.40657 GPRESSAVG: 430800 2.24294 57.0477 13.1366 63.4215 -3.63026 40.3421 10.6009 37.4244 3.73701 TIMING: 430800 CPU: 1274.21, 0.00298064/step Wall: 1274.21, 0.00298064/step, 3.78309 hours remaining, 203.730469 MB of memory in use. ENERGY: 430800 746.6848 2104.9109 1941.8770 129.8504 -206383.2339 18126.9184 0.0000 0.0000 34302.0172 -149030.9753 299.5680 -183332.9925 -148933.9149 299.8010 173.4552 206.7015 557732.9881 0.6441 0.7832 PRESSURE: 431000 292.326 24.4245 1.82872 24.4253 203.342 12.5095 1.82867 12.5092 -178.943 GPRESSURE: 431000 316.093 -22.0354 -36.8026 22.7821 202.088 -0.847129 -90.3284 59.0324 -117.24 PRESSAVG: 431000 -60.0523 8.30646 44.3678 8.30639 26.8794 6.3935 44.3678 6.39349 52.8966 GPRESSAVG: 431000 -60.9942 9.94488 44.3551 8.11041 26.8091 4.78935 44.5197 6.7279 53.9878 TIMING: 431000 CPU: 1274.8, 0.00297347/step Wall: 1274.8, 0.00297347/step, 3.77383 hours remaining, 203.730469 MB of memory in use. ENERGY: 431000 767.8809 2133.1737 1945.4703 108.8491 -206269.8701 17976.1296 0.0000 0.0000 34472.6399 -148865.7266 301.0581 -183338.3665 -148771.6986 300.5637 105.5746 133.6471 557016.1806 6.5745 6.6009 PRESSURE: 431200 46.6912 -27.1977 -11.4852 -27.196 17.5774 93.5087 -11.4857 93.5092 137.521 GPRESSURE: 431200 105.91 -3.23392 -98.516 -11.108 80.6623 34.0992 31.6569 97.5397 105.568 PRESSAVG: 431200 49.0599 -1.19565 5.56144 -1.19557 -7.36355 11.912 5.5615 11.9119 -35.5342 GPRESSAVG: 431200 49.494 -0.903798 6.39267 -3.73631 -6.66058 11.9455 5.46544 13.3123 -37.0092 TIMING: 431200 CPU: 1275.4, 0.00298952/step Wall: 1275.4, 0.00298952/step, 3.79403 hours remaining, 203.730469 MB of memory in use. ENERGY: 431200 747.1082 2101.6764 1934.4584 108.3043 -206144.1825 17852.9235 0.0000 0.0000 34430.4073 -148969.3045 300.6893 -183399.7118 -148866.1340 300.1768 67.2633 97.3798 557446.9915 2.0541 1.9414 PRESSURE: 431400 -15.5443 78.9542 -26.8766 78.9545 -53.2095 49.0277 -26.8775 49.0293 -151.731 GPRESSURE: 431400 3.4737 63.0869 -34.6189 40.5114 -29.9456 71.0167 15.2043 -50.2562 -101.858 PRESSAVG: 431400 -25.183 -42.0862 -32.7684 -42.0862 -1.92487 19.894 -32.7684 19.894 10.4993 GPRESSAVG: 431400 -25.6759 -42.4997 -33.8107 -41.6665 -3.34524 20.7926 -32.2861 17.2858 11.685 TIMING: 431400 CPU: 1275.99, 0.00296379/step Wall: 1275.99, 0.00296379/step, 3.76122 hours remaining, 203.730469 MB of memory in use. ENERGY: 431400 728.8656 2087.0776 1952.5169 112.0417 -205845.8238 17717.1732 0.0000 0.0000 34224.1415 -149024.0073 298.8879 -183248.1488 -148927.7564 299.7721 -73.4951 -42.7767 558786.0268 -5.5362 -5.7787 PRESSURE: 431600 181.274 -210.331 71.2599 -210.331 153.983 31.889 71.2598 31.8877 93.7286 GPRESSURE: 431600 242.89 -205.442 62.2597 -132.082 178.909 28.1305 84.8799 28.4398 115.587 PRESSAVG: 431600 -3.08167 -25.821 77.7467 -25.8209 33.4076 0.496243 77.7467 0.496242 10.5993 GPRESSAVG: 431600 -2.1613 -25.9636 77.4067 -24.9286 34.6317 2.02996 76.667 2.99309 8.39366 TIMING: 431600 CPU: 1276.58, 0.00294568/step Wall: 1276.58, 0.00294568/step, 3.73807 hours remaining, 203.730469 MB of memory in use. ENERGY: 431600 738.1361 2071.8037 1989.3259 123.2348 -206168.3454 17860.2363 0.0000 0.0000 34388.6400 -148996.9686 300.3245 -183385.6085 -148902.3390 300.0719 142.9953 179.1286 557676.6696 13.6418 13.6213 PRESSURE: 431800 -47.6379 12.5475 146.298 12.5495 -162 85.8846 146.296 85.8856 -252.869 GPRESSURE: 431800 -58.8604 -39.5277 154.586 75.0804 -129.917 15.3041 111.552 81.3106 -175.364 PRESSAVG: 431800 43.8995 5.68307 31.68 5.6831 -12.3172 11.4029 31.6799 11.4028 10.0292 GPRESSAVG: 431800 44.2252 7.54391 32.2656 4.49284 -14.4005 10.7113 32.1977 9.32547 11.6559 TIMING: 431800 CPU: 1277.17, 0.00294523/step Wall: 1277.17, 0.00294523/step, 3.73734 hours remaining, 203.730469 MB of memory in use. ENERGY: 431800 748.3455 2136.4377 1947.7357 105.0237 -205771.7262 17567.5221 0.0000 0.0000 34266.5770 -149000.0844 299.2585 -183266.6614 -148889.7856 299.3699 -154.1691 -121.3804 557772.4621 13.8705 13.8269 PRESSURE: 432000 110.085 -114.294 229.627 -114.293 -276.556 143.558 229.626 143.558 -152.974 GPRESSURE: 432000 84.3437 -107.702 259.491 -50.7043 -222.125 63.2919 303.306 141.798 -85.2477 PRESSAVG: 432000 27.5504 0.862609 46.086 0.862541 3.35176 4.96299 46.086 4.96308 -19.4217 GPRESSAVG: 432000 25.6106 0.795722 44.6162 1.14743 4.76906 5.47739 46.9372 4.88759 -19.3123 TIMING: 432000 CPU: 1277.76, 0.0029446/step Wall: 1277.76, 0.0029446/step, 3.73637 hours remaining, 203.730469 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: 432000 753.5067 2085.3686 1944.2545 110.7326 -205925.3260 17566.4008 0.0000 0.0000 34538.3143 -148926.7485 301.6317 -183465.0628 -148829.0350 300.0152 -106.4817 -74.3429 557244.2305 3.8268 3.6891 PRESSURE: 432200 -45.9257 -74.7884 35.6418 -74.7894 -182.569 169.884 35.6427 169.885 -103.352 GPRESSURE: 432200 -43.4232 18.285 7.85291 -128.448 -179.098 146.219 -26.7678 222.397 -2.34973 PRESSAVG: 432200 109.668 -18.9389 30.3601 -18.9389 -58.7343 51.1779 30.3601 51.1778 -28.999 GPRESSAVG: 432200 110.609 -19.6811 32.508 -21.0379 -60.1601 49.04 28.4515 52.2501 -28.6577 TIMING: 432200 CPU: 1278.35, 0.00295966/step Wall: 1278.35, 0.00295966/step, 3.75531 hours remaining, 203.730469 MB of memory in use. ENERGY: 432200 733.8653 2078.8084 1973.5916 115.8626 -206083.4346 17638.2320 0.0000 0.0000 34491.5926 -149051.4821 301.2237 -183543.0748 -148956.9454 299.9425 -110.6156 -74.9568 556099.3276 7.3115 7.2638 LDB: ============= START OF LOAD BALANCING ============== 1281.78 LDB: ============== END OF LOAD BALANCING =============== 1281.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1281.78 LDB: ============= START OF LOAD BALANCING ============== 1282.07 LDB: Largest compute 4848 load 0.030568 is 25.9% of average load 0.117807 LDB: Average compute 0.001740 is 1.5% of average load 0.117807 LDB: TIME 1282.08 LOAD: AVG 0.117807 MAX 0.196701 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.805 MB LDB: TIME 1282.08 LOAD: AVG 0.117807 MAX 0.196701 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.004 MB LDB: TIME 1282.08 LOAD: AVG 0.117807 MAX 0.196701 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.004 MB LDB: ============== END OF LOAD BALANCING =============== 1282.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1282.08 PRESSURE: 432400 -73.1409 -65.6172 74.5159 -65.619 27.7385 -4.4614 74.5162 -4.45928 -16.3434 GPRESSURE: 432400 -48.8754 -80.6664 89.1164 -109.397 43.6103 -36.3569 90.1136 -48.3589 35.6667 PRESSAVG: 432400 -9.09107 -35.2716 17.0872 -35.2716 -39.1524 70.163 17.0871 70.163 45.5114 GPRESSAVG: 432400 -8.78957 -36.13 15.8709 -33.2936 -38.8829 71.9959 19.2212 69.4622 44.6872 TIMING: 432400 CPU: 1278.95, 0.00301104/step Wall: 1278.95, 0.00301104/step, 3.82034 hours remaining, 204.808594 MB of memory in use. ENERGY: 432400 786.7762 2140.8665 1956.7993 108.2471 -206186.0670 17864.7819 0.0000 0.0000 34106.0273 -149222.5686 297.8564 -183328.5959 -149119.5508 299.1773 -20.5819 10.1338 556832.2333 -0.9107 -0.9951 PRESSURE: 432600 -83.1767 49.7306 -146.495 49.7311 -382.742 -76.5583 -146.495 -76.5579 101.501 GPRESSURE: 432600 -76.6259 75.6037 -218.374 -5.60411 -328.542 -146.882 -139.663 15.0058 137.783 PRESSAVG: 432600 -8.96473 10.1225 -6.29085 10.1226 40.7739 6.26867 -6.29089 6.26849 7.26688 GPRESSAVG: 432600 -10.8682 10.2874 -6.63211 11.0401 41.5079 6.8799 -7.78449 8.47627 8.68828 TIMING: 432600 CPU: 1279.54, 0.00295401/step Wall: 1279.54, 0.00295401/step, 3.74782 hours remaining, 205.011719 MB of memory in use. ENERGY: 432600 735.9818 2118.6061 1958.0374 111.6680 -206110.1388 17676.2729 0.0000 0.0000 34360.1383 -149149.4343 300.0756 -183509.5725 -149043.0302 298.9530 -121.4726 -89.1284 557913.0615 13.0254 13.1093 PRESSURE: 432800 212.701 141.893 -18.2772 141.893 55.4595 127.812 -18.2767 127.812 -84.7928 GPRESSURE: 432800 221.676 31.6321 81.0775 175.702 40.9578 60.1229 -57.0513 225.832 8.38611 PRESSAVG: 432800 31.7656 21.6834 -18.6149 21.6833 27.4754 12.7074 -18.6148 12.7074 -56.673 GPRESSAVG: 432800 33.6079 21.7673 -17.6922 21.5551 27.9668 13.0839 -17.2039 8.74167 -58.9204 TIMING: 432800 CPU: 1280.13, 0.00293506/step Wall: 1280.13, 0.00293506/step, 3.72361 hours remaining, 205.011719 MB of memory in use. ENERGY: 432800 762.4617 2156.6341 1958.1874 116.3899 -206256.7761 17912.0963 0.0000 0.0000 34202.4878 -149148.5190 298.6988 -183351.0068 -149060.8470 299.2790 61.1227 90.3399 558401.7973 0.8560 0.8848 PRESSURE: 433000 159.32 -83.3662 -7.51506 -83.3667 -10.8676 55.3074 -7.51499 55.3074 -141.716 GPRESSURE: 433000 166.784 -100.756 20.4199 -66.1401 13.6861 103.614 -37.2888 -26.1031 -78.9672 PRESSAVG: 433000 32.2317 -116.111 34.021 -116.111 50.2098 24.8302 34.0211 24.8301 -103.725 GPRESSAVG: 433000 31.5994 -114.146 33.1548 -116.959 50.6325 23.3833 33.0789 27.0427 -103.691 TIMING: 433000 CPU: 1280.72, 0.00293861/step Wall: 1280.72, 0.00293861/step, 3.72795 hours remaining, 205.011719 MB of memory in use. ENERGY: 433000 755.5369 2067.6058 1961.0356 110.3812 -205900.4114 17593.9273 0.0000 0.0000 34318.2091 -149093.7156 299.7095 -183411.9247 -149000.5828 299.4723 2.2453 33.8344 558175.9638 -7.0947 -7.1532 PRESSURE: 433200 23.0252 45.773 -76.8189 45.772 15.415 36.8433 -76.8183 36.8435 -63.52 GPRESSURE: 433200 -38.3879 107.428 -141.128 34.3792 66.3607 47.5969 -31.8452 42.2869 39.1659 PRESSAVG: 433200 2.90604 -11.3292 32.023 -11.3291 -24.2886 18.3192 32.023 18.3193 12.9403 GPRESSAVG: 433200 4.0661 -12.722 31.9103 -11.5672 -25.5109 19.3124 33.1833 16.9391 13.3061 TIMING: 433200 CPU: 1281.31, 0.00296778/step Wall: 1281.31, 0.00296778/step, 3.7648 hours remaining, 205.011719 MB of memory in use. ENERGY: 433200 773.1076 2099.6775 1951.0781 121.6948 -206003.4146 17750.8572 0.0000 0.0000 34396.4519 -148910.5475 300.3928 -183306.9994 -148818.7413 300.2415 -8.3599 22.3795 557367.2326 -2.8141 -2.7129 PRESSURE: 433400 83.026 -183.963 -154.339 -183.962 138.819 -135.096 -154.339 -135.094 -57.6872 GPRESSURE: 433400 84.7372 -138.486 -206.511 -190.45 163.718 -183.175 -51.0151 -201.271 18.0909 PRESSAVG: 433400 103.178 -21.273 3.66432 -21.273 -72.8104 -23.0139 3.66426 -23.0139 -1.25738 GPRESSAVG: 433400 102.156 -21.2662 2.89322 -19.7841 -71.8032 -24.8118 2.74206 -21.8748 -1.25257 TIMING: 433400 CPU: 1281.91, 0.0029699/step Wall: 1281.91, 0.0029699/step, 3.76732 hours remaining, 205.011719 MB of memory in use. ENERGY: 433400 768.4444 2087.2016 1951.1761 120.0746 -205969.2930 17797.7165 0.0000 0.0000 34266.5818 -148978.0981 299.2586 -183244.6799 -148882.5049 299.6817 54.7192 88.8486 557802.0790 9.7035 9.7001 PRESSURE: 433600 -67.6819 -95.1242 35.8091 -95.1245 74.1011 86.9085 35.8105 86.9083 -176.028 GPRESSURE: 433600 47.4356 -76.1727 -23.635 -44.3178 14.2059 54.6501 10.7178 124.755 -139.95 PRESSAVG: 433600 14.9071 -15.5296 -20.2474 -15.5297 -6.63657 -44.612 -20.2474 -44.612 5.80914 GPRESSAVG: 433600 14.4648 -15.9232 -19.8577 -14.4765 -6.89882 -44.3979 -20.5891 -43.0598 6.23397 TIMING: 433600 CPU: 1282.51, 0.00299901/step Wall: 1282.51, 0.00299901/step, 3.80408 hours remaining, 205.011719 MB of memory in use. ENERGY: 433600 768.6364 2074.7979 1963.4700 129.8962 -206098.2355 17866.5149 0.0000 0.0000 34272.9884 -149021.9317 299.3145 -183294.9201 -148925.4448 300.1622 -56.5364 -26.1028 558912.5682 4.6932 4.6000 PRESSURE: 433800 72.5957 131.493 -133.613 131.492 74.4501 -179.165 -133.613 -179.165 228.829 GPRESSURE: 433800 111.748 128.129 -125.181 95.2388 58.1855 -126.075 -139.932 -165.76 308.732 PRESSAVG: 433800 35.7904 -53.572 -2.1567 -53.572 -77.7302 -34.726 -2.15675 -34.726 60.2044 GPRESSAVG: 433800 36.6804 -52.3485 -1.51481 -54.6983 -77.2934 -34.1151 -1.80247 -35.4373 59.6832 TIMING: 433800 CPU: 1283.1, 0.00296473/step Wall: 1283.1, 0.00296473/step, 3.76043 hours remaining, 205.011719 MB of memory in use. ENERGY: 433800 788.6051 2107.1420 1950.4023 126.7037 -206397.9603 18114.9870 0.0000 0.0000 34236.6960 -149073.4241 298.9976 -183310.1202 -148976.7484 299.6810 125.2915 159.5552 557288.9347 6.0882 6.3567 PRESSURE: 434000 -260.72 -28.2586 130.954 -28.2586 -248.73 121.402 130.955 121.4 -234.982 GPRESSURE: 434000 -245.363 -11.7764 130.375 -55.5403 -201.423 94.4824 146.573 165.79 -211.826 PRESSAVG: 434000 52.3795 -33.2224 -25.1233 -33.2225 -7.30589 93.5294 -25.1232 93.5295 -30.4824 GPRESSAVG: 434000 51.6769 -33.3999 -27.2304 -34.3116 -6.2885 94.9001 -24.6564 92.2848 -30.76 TIMING: 434000 CPU: 1283.7, 0.00297879/step Wall: 1283.7, 0.00297879/step, 3.77809 hours remaining, 205.011719 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: 434000 748.9813 2085.7462 1933.9923 115.1925 -205811.0985 17399.7279 0.0000 0.0000 34386.9480 -149140.5102 300.3098 -183527.4582 -149041.3161 299.2205 -248.1438 -219.5373 558702.0001 4.8638 4.8761 PRESSURE: 434200 -181.459 -69.221 -44.6692 -69.2216 -270.294 162.424 -44.6696 162.423 49.8049 GPRESSURE: 434200 -133.331 -137.956 -60.5876 -78.8474 -210.933 195.774 -101.194 167.627 35.777 PRESSAVG: 434200 -2.57232 -89.6173 -27.1953 -89.6173 5.87744 53.8709 -27.1952 53.8709 -0.283751 GPRESSAVG: 434200 -1.54017 -90.7016 -26.2315 -87.4228 4.00702 53.1786 -26.2439 55.0896 0.305877 TIMING: 434200 CPU: 1284.29, 0.00297851/step Wall: 1284.29, 0.00297851/step, 3.77758 hours remaining, 205.011719 MB of memory in use. ENERGY: 434200 789.9410 2087.6259 1926.9348 118.8781 -205939.8886 17763.9773 0.0000 0.0000 34096.8371 -149155.6945 297.7762 -183252.5316 -149060.5956 299.3295 -133.9828 -102.8290 559059.5193 1.0071 0.9242 PRESSURE: 434400 -17.9951 -0.509936 182.916 -0.510414 -93.9101 84.9611 182.916 84.961 -151.065 GPRESSURE: 434400 -49.874 20.1649 86.9585 -46.4749 -19.092 -16.0695 249.278 185.299 -113.576 PRESSAVG: 434400 -29.1457 -22.3132 -44.6244 -22.3132 -36.1178 49.9325 -44.6244 49.9324 55.443 GPRESSAVG: 434400 -29.2611 -19.5077 -45.0221 -22.5956 -34.9395 47.5817 -45.3642 52.1777 54.7863 TIMING: 434400 CPU: 1284.88, 0.00296228/step Wall: 1284.88, 0.00296228/step, 3.75682 hours remaining, 205.242188 MB of memory in use. ENERGY: 434400 756.1604 2084.8271 1948.8467 123.5122 -206144.8262 17775.2410 0.0000 0.0000 34356.0518 -149100.1870 300.0399 -183456.2388 -149008.0157 298.9020 -87.6567 -60.8473 558824.5282 -3.2735 -3.1381 PRESSURE: 434600 26.5255 -39.8 -60.7842 -39.7989 -104.202 -17.8657 -60.7841 -17.8646 14.7893 GPRESSURE: 434600 65.6518 28.6914 24.0661 -158.615 -63.2967 2.9543 -51.1962 -30.3509 11.1176 PRESSAVG: 434600 34.194 6.3412 19.5796 6.3412 -80.5877 16.2441 19.5797 16.2441 6.81889 GPRESSAVG: 434600 34.3576 4.70801 20.1679 5.43768 -81.1244 16.7005 19.9843 13.5155 7.95373 TIMING: 434600 CPU: 1285.47, 0.00294344/step Wall: 1285.47, 0.00294344/step, 3.73277 hours remaining, 205.242188 MB of memory in use. ENERGY: 434600 715.0536 2103.1134 1942.5271 115.8370 -205986.9707 17794.5272 0.0000 0.0000 34266.6133 -149049.2992 299.2589 -183315.9125 -148955.2899 299.1687 -20.9625 4.4909 558791.0453 -13.1916 -12.9377 PRESSURE: 434800 296.57 216.882 16.4365 216.883 137.586 154.998 16.4353 154.999 137.009 GPRESSURE: 434800 313.062 84.7132 21.9437 225.705 162.973 130.789 -2.56814 184.456 179.669 PRESSAVG: 434800 31.1397 -18.1956 -2.70159 -18.1956 9.29982 73.1734 -2.70156 73.1734 -3.87208 GPRESSAVG: 434800 31.5141 -19.1918 -0.972521 -19.048 10.2251 73.6323 -3.62548 74.8966 -4.54098 TIMING: 434800 CPU: 1286.07, 0.00297834/step Wall: 1286.07, 0.00297834/step, 3.77687 hours remaining, 205.242188 MB of memory in use. ENERGY: 434800 729.6347 2117.0862 1976.5856 110.9569 -206471.8624 18067.9089 0.0000 0.0000 34248.2633 -149221.4269 299.0986 -183469.6902 -149129.0263 299.5426 190.3886 218.5679 558727.4632 12.1891 12.3994 PRESSURE: 435000 -236.135 -22.8963 81.0936 -22.8962 -170.106 -107.332 81.0937 -107.332 -349.293 GPRESSURE: 435000 -205.807 3.03958 98.239 -63.6176 -151.765 -74.1465 -21.5838 -144.648 -304.44 PRESSAVG: 435000 20.4092 28.5719 -27.9701 28.5719 -1.72263 22.7794 -27.97 22.7795 -37.8711 GPRESSAVG: 435000 20.7312 30.5926 -29.1279 27.5503 -2.10385 23.4695 -28.5988 20.7643 -36.9622 TIMING: 435000 CPU: 1286.66, 0.00297344/step Wall: 1286.66, 0.00297344/step, 3.77049 hours remaining, 205.242188 MB of memory in use. ENERGY: 435000 797.3087 2068.4444 1974.2848 113.3155 -205700.4828 17403.4039 0.0000 0.0000 34094.7348 -149248.9905 297.7578 -183343.7253 -149150.4490 298.8325 -251.8447 -220.6706 557818.7844 -6.3948 -6.1116 PRESSURE: 435200 66.2407 136.194 -108.644 136.193 195.196 85.8632 -108.645 85.8643 309.749 GPRESSURE: 435200 98.6448 129.173 -157.738 154.809 225.311 82.7808 -107.96 167.778 352.351 PRESSAVG: 435200 -14.9158 3.14052 20.5106 3.14064 -23.5093 -40.9876 20.5105 -40.9876 0.141962 GPRESSAVG: 435200 -14.7486 2.78624 20.4321 3.68619 -23.337 -39.893 21.9662 -38.5148 -0.342799 TIMING: 435200 CPU: 1287.26, 0.00296427/step Wall: 1287.26, 0.00296427/step, 3.75869 hours remaining, 205.242188 MB of memory in use. ENERGY: 435200 726.3455 2080.6639 1965.8627 114.5503 -206525.1842 18172.7255 0.0000 0.0000 34553.0669 -148911.9694 301.7605 -183465.0363 -148815.9861 299.4777 190.3951 225.4357 557257.6679 -12.7611 -12.8095 PRESSURE: 435400 -308.753 -127.075 28.0537 -127.075 24.9578 -102.528 28.0521 -102.529 -69.2531 GPRESSURE: 435400 -283.695 -215.495 38.4296 -122.765 70.0624 -83.4122 33.8293 -135.18 -43.6818 PRESSAVG: 435400 -38.1176 5.89611 -52.9217 5.89606 6.31556 -3.27871 -52.9217 -3.27887 28.3855 GPRESSAVG: 435400 -38.4203 5.08782 -53.0414 5.95479 6.5684 -3.3474 -52.3793 -5.71119 28.3818 TIMING: 435400 CPU: 1287.85, 0.00297143/step Wall: 1287.85, 0.00297143/step, 3.76761 hours remaining, 205.242188 MB of memory in use. ENERGY: 435400 797.5796 2085.7560 1950.6433 115.3136 -205830.2528 17633.1618 0.0000 0.0000 34326.9052 -148920.8934 299.7854 -183247.7986 -148824.5893 300.4241 -117.6827 -85.7713 557273.3853 -1.1388 -1.1567 PRESSURE: 435600 -19.2584 -2.69021 -43.426 -2.6906 21.9266 -45.2928 -43.425 -45.2941 -42.1283 GPRESSURE: 435600 77.8115 -56.4347 -81.6608 52.5809 10.1699 -5.49507 -104.238 -8.44165 -33.7223 PRESSAVG: 435600 -52.0603 -51.161 -1.40679 -51.161 0.504531 -24.994 -1.40675 -24.9942 34.4293 GPRESSAVG: 435600 -52.7409 -50.1166 -1.05588 -49.8482 0.0703982 -26.7035 -3.57618 -24.4135 35.3709 TIMING: 435600 CPU: 1288.44, 0.00294459/step Wall: 1288.44, 0.00294459/step, 3.73341 hours remaining, 205.242188 MB of memory in use. ENERGY: 435600 723.3960 2095.5043 1941.2164 110.4768 -205458.0039 17613.3323 0.0000 0.0000 34071.2990 -148902.7792 297.5531 -182974.0782 -148806.2665 299.2590 -13.1534 18.0864 558686.3185 -5.7088 -5.7665 PRESSURE: 435800 217.54 104.935 -2.59325 104.933 0.50751 -27.1847 -2.5924 -27.1841 63.6318 GPRESSURE: 435800 209.248 115.309 5.09957 70.8389 50.5472 -24.1344 -7.98371 -37.7711 111.097 PRESSAVG: 435800 27.9449 16.9672 -12.4593 16.9672 -56.0318 35.9129 -12.4594 35.9129 35.4445 GPRESSAVG: 435800 29.3294 16.6098 -14.156 16.0648 -55.0564 36.3231 -11.3632 34.2822 33.4513 TIMING: 435800 CPU: 1289.03, 0.00294225/step Wall: 1289.03, 0.00294225/step, 3.73029 hours remaining, 205.242188 MB of memory in use. ENERGY: 435800 693.3486 2098.4691 1962.4958 107.6774 -206150.0475 17839.9376 0.0000 0.0000 34473.0621 -148975.0569 301.0618 -183448.1190 -148873.4582 300.0716 93.8932 123.6309 556779.7538 2.4526 2.5748 PRESSURE: 436000 26.6556 10.8727 -154.785 10.8726 -421.165 91.2135 -154.784 91.2123 -288.917 GPRESSURE: 436000 48.908 39.6592 -51.0173 -18.5851 -440.523 62.7265 -206.549 64.9945 -190.115 PRESSAVG: 436000 1.04902 40.6878 -18.0049 40.6879 -3.48793 54.2331 -18.0049 54.2331 13.1954 GPRESSAVG: 436000 1.41327 41.1195 -16.7092 42.3105 -4.76913 54.8904 -16.3976 54.8479 13.5833 TIMING: 436000 CPU: 1289.62, 0.002974/step Wall: 1289.62, 0.002974/step, 3.77037 hours remaining, 205.242188 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: 436000 757.7997 2121.6821 1960.5691 103.6018 -205726.4455 17468.5539 0.0000 0.0000 34283.8304 -149030.4086 299.4092 -183314.2390 -148935.4338 299.5589 -227.8090 -193.9098 557874.7444 3.5855 3.4092 PRESSURE: 436200 -79.3741 -9.99753 -43.7278 -9.99629 88.8072 -32.1539 -43.7276 -32.1545 -13.3031 GPRESSURE: 436200 -54.8124 -24.7779 -171.921 69.9868 121.641 -7.6805 43.1188 -27.0989 17.5279 PRESSAVG: 436200 45.2245 -28.3853 -35.3955 -28.3854 45.7264 58.2811 -35.3956 58.2811 -92.1772 GPRESSAVG: 436200 44.0713 -26.3521 -35.5367 -29.9963 45.8864 58.1219 -35.9361 58.4252 -90.8801 TIMING: 436200 CPU: 1290.21, 0.00295743/step Wall: 1290.21, 0.00295743/step, 3.7492 hours remaining, 205.242188 MB of memory in use. ENERGY: 436200 736.5155 2155.1304 1976.3982 111.0492 -206332.9170 17880.1059 0.0000 0.0000 34287.6947 -149186.0232 299.4430 -183473.7179 -149085.6477 299.3911 -1.2900 28.1188 556764.8801 -0.4088 -0.3074 LDB: ============= START OF LOAD BALANCING ============== 1293.64 LDB: ============== END OF LOAD BALANCING =============== 1293.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1293.64 LDB: ============= START OF LOAD BALANCING ============== 1293.94 LDB: Largest compute 4848 load 0.030705 is 26.1% of average load 0.117819 LDB: Average compute 0.001729 is 1.5% of average load 0.117819 LDB: TIME 1293.94 LOAD: AVG 0.117819 MAX 0.195993 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.066 MB LDB: TIME 1293.94 LOAD: AVG 0.117819 MAX 0.195993 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.137 MB LDB: TIME 1293.94 LOAD: AVG 0.117819 MAX 0.195993 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1293.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1293.95 PRESSURE: 436400 -116.681 88.0023 -132.138 88.0033 206.195 -83.2726 -132.137 -83.2741 37.5566 GPRESSURE: 436400 -95.7397 138.18 -172.78 120.932 307.146 -111.294 -46.9879 -55.7967 17.0494 PRESSAVG: 436400 -5.56422 -9.76536 -43.6373 -9.76528 85.2699 -33.7559 -43.6372 -33.7559 -44.5668 GPRESSAVG: 436400 -5.81865 -14.4682 -43.9575 -8.62478 86.1877 -33.4358 -44.513 -34.1615 -44.5655 TIMING: 436400 CPU: 1290.82, 0.003015/step Wall: 1290.82, 0.003015/step, 3.82202 hours remaining, 206.355469 MB of memory in use. ENERGY: 436400 738.3004 2084.3673 1941.9398 113.7373 -206412.0691 17812.0276 0.0000 0.0000 34398.5568 -149323.1398 300.4112 -183721.6966 -149231.2137 299.1954 42.3569 76.1518 556823.3399 11.7130 11.9345 PRESSURE: 436600 -26.9346 162.301 0.975802 162.301 -57.9823 134.719 0.97497 134.72 -44.8322 GPRESSURE: 436600 -1.00747 96.9095 -38.6876 184.122 -55.7415 237.576 56.49 76.0313 22.9305 PRESSAVG: 436600 -57.5569 28.6125 -22.8103 28.6125 48.3296 77.747 -22.8104 77.747 12.9255 GPRESSAVG: 436600 -57.485 31.0153 -22.6303 26.2103 49.2151 77.5571 -22.3134 78.5092 12.4171 TIMING: 436600 CPU: 1291.41, 0.00297549/step Wall: 1291.41, 0.00297549/step, 3.77176 hours remaining, 206.558594 MB of memory in use. ENERGY: 436600 756.0224 2122.8244 1973.8862 114.2238 -206301.3220 18056.1858 0.0000 0.0000 34050.5745 -149227.6048 297.3721 -183278.1793 -149129.5582 298.8117 -43.2497 -11.2728 558881.9767 1.2327 1.3824 PRESSURE: 436800 3.30171 -33.5753 33.7272 -33.5751 -226.082 194.107 33.7277 194.107 138.331 GPRESSURE: 436800 57.8458 -16.9472 42.7321 -20.637 -214.686 190.348 72.2848 204.428 168.759 PRESSAVG: 436800 -16.1286 1.80661 -18.8401 1.80657 14.4227 25.8138 -18.8402 25.8138 2.97084 GPRESSAVG: 436800 -14.7613 2.10616 -17.3376 2.15131 13.0984 27.9302 -19.5285 25.0287 3.75447 TIMING: 436800 CPU: 1292, 0.00296485/step Wall: 1292, 0.00296485/step, 3.75811 hours remaining, 206.558594 MB of memory in use. ENERGY: 436800 745.9398 2093.5977 1932.5556 110.9068 -206107.7645 17798.3891 0.0000 0.0000 34312.0426 -149114.3328 299.6556 -183426.3754 -149018.9834 299.2528 -28.1498 3.9730 558467.9735 0.4216 0.6972 PRESSURE: 437000 -205.44 -28.0421 -175.167 -28.0434 13.0592 -125.128 -175.166 -125.128 134.05 GPRESSURE: 437000 -122.775 79.2274 -147.239 -126.868 39.6908 -121.218 -255.07 -43.7161 122.779 PRESSAVG: 437000 -75.6499 12.669 -53.906 12.6688 25.4111 -10.1253 -53.906 -10.1254 50.2567 GPRESSAVG: 437000 -76.8132 11.7549 -55.291 13.8109 26.9365 -11.7388 -54.132 -8.26987 50.5395 TIMING: 437000 CPU: 1292.6, 0.00298317/step Wall: 1292.6, 0.00298317/step, 3.78116 hours remaining, 206.558594 MB of memory in use. ENERGY: 437000 741.5331 2073.1636 1982.4032 118.7381 -206039.1252 17825.3773 0.0000 0.0000 34189.5854 -149108.3245 298.5862 -183297.9099 -149006.2487 299.7521 -19.4437 13.2315 557555.9670 0.0060 0.2209 PRESSURE: 437200 -318.68 81.3588 95.5059 81.3586 -328.066 -88.9073 95.5065 -88.9072 -84.0151 GPRESSURE: 437200 -246.104 18.6439 53.7527 26.2536 -285.957 -29.4114 95.5261 -66.3699 -108.753 PRESSAVG: 437200 -22.156 1.72982 -0.489317 1.72969 -17.1904 -46.3736 -0.489234 -46.3735 42.815 GPRESSAVG: 437200 -22.0592 1.9271 -0.497833 1.8894 -17.7147 -48.0443 0.820847 -46.4516 43.3607 TIMING: 437200 CPU: 1293.2, 0.00298318/step Wall: 1293.2, 0.00298318/step, 3.78101 hours remaining, 206.558594 MB of memory in use. ENERGY: 437200 758.2383 2070.1797 1952.6411 117.9481 -205666.7322 17516.7708 0.0000 0.0000 34188.6481 -149062.3061 298.5780 -183250.9543 -148965.3366 299.3239 -243.5871 -213.6047 558169.7207 1.1562 1.1956 PRESSURE: 437400 12.211 -50.3641 -98.5918 -50.365 -103.476 -183.252 -98.5909 -183.251 -108.826 GPRESSURE: 437400 5.92922 -51.2121 -107.981 9.93106 -90.5115 -80.6324 -63.8946 -167.671 -17.4449 PRESSAVG: 437400 0.980569 -21.6497 -10.9269 -21.6497 29.3758 -43.4657 -10.9268 -43.4657 -63.3347 GPRESSAVG: 437400 1.53512 -21.3366 -12.1237 -21.9904 29.9404 -42.0554 -10.186 -41.7265 -64.2212 TIMING: 437400 CPU: 1293.8, 0.00299064/step Wall: 1293.8, 0.00299064/step, 3.7903 hours remaining, 206.558594 MB of memory in use. ENERGY: 437400 757.0605 2113.6550 1935.4144 109.8048 -205676.6431 17559.9927 0.0000 0.0000 34184.6152 -149016.1005 298.5427 -183200.7157 -148918.4730 299.3498 -66.6969 -34.0091 557956.2833 -10.9928 -10.9152 PRESSURE: 437600 -177.372 -37.7648 -107.532 -37.7638 -169.695 164.506 -107.532 164.505 -133.607 GPRESSURE: 437600 -150.229 -115.351 3.68824 31.8793 -134.256 186.407 -163.004 64.9355 -82.0192 PRESSAVG: 437600 -12.9146 16.1155 -3.232 16.1154 11.1048 67.0175 -3.23192 67.0176 1.12569 GPRESSAVG: 437600 -14.7339 16.8302 -1.40878 16.7874 12.0416 64.3186 -5.23642 65.4904 1.6304 TIMING: 437600 CPU: 1294.39, 0.00296748/step Wall: 1294.39, 0.00296748/step, 3.76078 hours remaining, 206.558594 MB of memory in use. ENERGY: 437600 762.7862 2002.0876 1964.1565 126.5638 -206073.4230 17694.5039 0.0000 0.0000 34435.9563 -149087.3686 300.7378 -183523.3249 -148984.5474 299.2933 -160.2247 -122.1682 558008.4505 -0.2281 -0.3540 PRESSURE: 437800 -173.196 -112.207 -32.8264 -112.206 204.074 209.042 -32.8276 209.043 -45.89 GPRESSURE: 437800 -127.764 -153.243 -126.761 -95.5453 257.908 173.045 28.8693 224.499 -45.512 PRESSAVG: 437800 2.26076 9.50293 -0.467333 9.50303 -15.5624 31.2038 -0.46732 31.2038 -16.473 GPRESSAVG: 437800 4.73124 6.94173 0.396669 10.3749 -16.28 33.5163 -0.704414 30.7333 -17.9811 TIMING: 437800 CPU: 1294.98, 0.0029547/step Wall: 1294.98, 0.0029547/step, 3.74443 hours remaining, 206.558594 MB of memory in use. ENERGY: 437800 774.1412 2118.0583 1957.5955 117.7022 -206430.2119 18048.8489 0.0000 0.0000 34420.8475 -148993.0184 300.6058 -183413.8659 -148898.4524 299.4521 -5.0039 28.2108 558156.8968 -9.9249 -9.8433 PRESSURE: 438000 471.883 -48.7622 -4.98674 -48.7624 -61.9214 163.659 -4.98558 163.66 -28.2084 GPRESSURE: 438000 483.392 -70.3882 -38.4283 23.4918 -20.7678 168.69 19.4252 169.314 23.7044 PRESSAVG: 438000 26.4841 -22.7012 -7.08191 -22.7012 30.6665 59.0809 -7.08194 59.0809 -85.5972 GPRESSAVG: 438000 25.2859 -19.9604 -10.0741 -24.7863 29.9524 56.607 -5.65498 63.326 -83.703 TIMING: 438000 CPU: 1295.57, 0.0029595/step Wall: 1295.57, 0.0029595/step, 3.75034 hours remaining, 206.558594 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: 438000 753.4025 2084.2061 1958.7598 115.3527 -206272.0991 18022.0265 0.0000 0.0000 34346.1284 -148992.2231 299.9533 -183338.3515 -148899.9115 299.9293 127.2510 162.1097 558292.5428 -9.4822 -9.4882 PRESSURE: 438200 -224.14 7.29707 -40.7928 7.29796 101.244 23.5423 -40.7912 23.5416 13.3758 GPRESSURE: 438200 -130.191 -3.42549 -64.4639 53.1388 114.983 -104.513 -61.9431 94.1807 7.47126 PRESSAVG: 438200 9.15416 -27.4334 -10.0428 -27.4334 28.9021 69.98 -10.0429 69.9799 -70.9274 GPRESSAVG: 438200 9.43055 -28.0487 -10.3073 -26.7937 29.8679 71.646 -10.442 67.0214 -71.5077 TIMING: 438200 CPU: 1296.16, 0.00296128/step Wall: 1296.16, 0.00296128/step, 3.75244 hours remaining, 206.558594 MB of memory in use. ENERGY: 438200 765.0295 2106.0724 1933.9173 117.9786 -205998.3270 17790.4205 0.0000 0.0000 34134.0277 -149150.8810 298.1010 -183284.9087 -149052.4758 299.7648 -36.5068 -2.5789 558217.8969 -10.9570 -10.7364 PRESSURE: 438400 139.983 -182.708 19.5555 -182.707 -79.2318 92.9819 19.5552 92.9808 -133.911 GPRESSURE: 438400 142.757 -110.92 58.6 -142.333 -45.0966 26.2682 48.7036 76.5513 -69.8202 PRESSAVG: 438400 -15.8284 -33.2627 17.3304 -33.2627 64.1934 27.5419 17.3304 27.542 -55.9973 GPRESSAVG: 438400 -15.4198 -34.5376 18.7066 -35.0189 64.2374 28.4264 17.0187 25.8536 -55.7272 TIMING: 438400 CPU: 1296.76, 0.00297944/step Wall: 1296.76, 0.00297944/step, 3.77528 hours remaining, 206.558594 MB of memory in use. ENERGY: 438400 708.2104 2150.3938 1966.3864 121.3128 -205803.0867 17620.5574 0.0000 0.0000 34323.8615 -148912.3644 299.7588 -183236.2259 -148811.1929 298.8936 -24.3866 9.2799 557611.1985 -2.5441 -2.3032 PRESSURE: 438600 -209.416 29.0649 -18.0167 29.0654 -177.067 -150.425 -18.0171 -150.424 -34.6614 GPRESSURE: 438600 -159.427 -87.9886 -74.4152 131.421 -174.567 -100.995 8.59077 -288.857 12.452 PRESSAVG: 438600 -13.454 2.40735 -4.85392 2.40732 81.1687 -20.6045 -4.85391 -20.6045 -57.0865 GPRESSAVG: 438600 -13.4066 1.21391 -5.53567 4.16846 81.1779 -22.8614 -5.35744 -18.7991 -56.9273 TIMING: 438600 CPU: 1297.35, 0.00296903/step Wall: 1297.35, 0.00296903/step, 3.76192 hours remaining, 206.679688 MB of memory in use. ENERGY: 438600 765.9472 2117.8311 1976.1167 120.5154 -205782.7294 17520.8281 0.0000 0.0000 34285.8624 -148995.6285 299.4270 -183281.4909 -148899.4016 299.6933 -140.3814 -107.1806 558199.2226 3.5427 3.6147 PRESSURE: 438800 32.1487 -105.792 53.6518 -105.793 -166.027 -98.3595 53.653 -98.3586 -27.3429 GPRESSURE: 438800 18.0182 -114.209 66.5036 -68.9456 -132.365 -89.9744 53.2278 -59.138 57.3991 PRESSAVG: 438800 -14.2968 -41.4347 50.6586 -41.4347 3.48448 -22.4461 50.6586 -22.446 24.0561 GPRESSAVG: 438800 -14.3078 -38.7598 50.3571 -41.5666 3.20056 -22.1158 50.5043 -24.0679 24.8187 TIMING: 438800 CPU: 1297.95, 0.00299315/step Wall: 1297.95, 0.00299315/step, 3.79232 hours remaining, 206.679688 MB of memory in use. ENERGY: 438800 754.1358 2073.3310 1936.7813 113.0592 -206196.2844 17716.3869 0.0000 0.0000 34497.8167 -149104.7735 301.2780 -183602.5901 -149008.2624 299.6858 -53.7403 -18.9825 557161.9159 4.4146 4.5705 PRESSURE: 439000 184.941 50.2015 -79.8004 50.2011 59.3047 58.2654 -79.8004 58.2667 418.43 GPRESSURE: 439000 256.964 6.89939 -64.0887 4.77887 83.951 77.3541 -168.777 -26.1422 423.866 PRESSAVG: 439000 30.568 -49.5606 26.9423 -49.5606 3.27359 25.1568 26.9423 25.1568 14.9914 GPRESSAVG: 439000 31.6619 -50.8529 26.3723 -49.4878 2.24391 26.1593 26.5638 25.3143 15.1523 TIMING: 439000 CPU: 1298.55, 0.0029627/step Wall: 1298.55, 0.0029627/step, 3.75357 hours remaining, 206.679688 MB of memory in use. ENERGY: 439000 708.3626 2091.2932 1946.0245 121.7333 -206329.5308 18105.2233 0.0000 0.0000 34263.3606 -149093.5332 299.2305 -183356.8939 -148989.6446 299.8721 220.8918 254.9271 556965.1341 16.2777 16.3527 PRESSURE: 439200 103.721 -61.116 -113.637 -61.117 -5.45626 -27.5596 -113.637 -27.5601 150.071 GPRESSURE: 439200 122.018 -66.7409 -157.009 -22.136 72.2305 -103.672 -41.6848 38.5429 139.045 PRESSAVG: 439200 3.2295 -23.6399 6.16373 -23.6398 -43.6399 46.2959 6.16371 46.2959 58.6571 GPRESSAVG: 439200 1.30864 -22.8168 6.14739 -24.0483 -40.9663 45.1384 6.25324 46.8305 57.2956 TIMING: 439200 CPU: 1299.14, 0.00297912/step Wall: 1299.14, 0.00297912/step, 3.77421 hours remaining, 206.679688 MB of memory in use. ENERGY: 439200 769.3324 2099.0490 1952.9601 105.2163 -206294.3270 17886.3737 0.0000 0.0000 34426.6150 -149054.7805 300.6562 -183481.3955 -148948.6300 299.8757 82.7786 111.0980 556113.7080 6.0822 5.8793 PRESSURE: 439400 -85.6074 -292.488 100.148 -292.487 -77.9481 125.128 100.148 125.129 195.494 GPRESSURE: 439400 -43.1651 -228.709 79.9132 -340.087 -91.058 114.821 205.671 178.635 274.445 PRESSAVG: 439400 27.3496 48.5719 -9.70752 48.5719 8.58983 15.8682 -9.70753 15.8682 -0.000279248 GPRESSAVG: 439400 27.9491 45.937 -8.84863 49.7816 6.64858 16.1545 -9.7755 16.227 1.59532 TIMING: 439400 CPU: 1299.74, 0.00298277/step Wall: 1299.74, 0.00298277/step, 3.77868 hours remaining, 206.679688 MB of memory in use. ENERGY: 439400 732.7845 2150.2571 1944.7233 108.9454 -205987.0784 17674.0591 0.0000 0.0000 34373.1857 -149003.1233 300.1896 -183376.3089 -148907.3466 299.9361 10.6462 46.7407 556534.4133 11.9797 12.0643 PRESSURE: 439600 46.172 -43.3061 -70.2447 -43.3045 -20.1511 -162.15 -70.2439 -162.149 -65.5716 GPRESSURE: 439600 9.50177 110.603 -113.135 -20.4237 53.0643 -136.613 -50.9901 -196.751 -13.54 PRESSAVG: 439600 35.9914 -21.3229 0.427804 -21.323 -28.7105 72.2244 0.427904 72.2244 12.0084 GPRESSAVG: 439600 35.9969 -20.4386 0.32295 -22.4779 -27.8768 74.2664 -0.0321595 71.2367 11.0921 TIMING: 439600 CPU: 1300.33, 0.00297834/step Wall: 1300.33, 0.00297834/step, 3.77289 hours remaining, 206.679688 MB of memory in use. ENERGY: 439600 770.0457 2112.6950 1954.0194 112.9227 -205709.8383 17544.0933 0.0000 0.0000 34383.0619 -148833.0004 300.2758 -183216.0623 -148738.8629 299.4876 -13.1835 16.3420 557192.3771 6.4298 6.4040 PRESSURE: 439800 -63.583 164.359 57.1236 164.358 3.13754 -82.8587 57.1222 -82.858 17.4497 GPRESSURE: 439800 -10.5713 255.857 52.7316 169.942 -11.5507 -67.2115 57.3334 -45.4228 70.7104 PRESSAVG: 439800 89.6543 43.3108 -32.1225 43.3108 -54.3615 18.8522 -32.1227 18.8522 5.15844 GPRESSAVG: 439800 90.7084 45.8045 -32.077 42.4033 -56.5118 18.4068 -32.1231 19.3271 6.58952 TIMING: 439800 CPU: 1300.93, 0.00297898/step Wall: 1300.93, 0.00297898/step, 3.77354 hours remaining, 206.679688 MB of memory in use. ENERGY: 439800 770.9055 2130.1033 1959.4544 111.0046 -205954.6960 17736.0625 0.0000 0.0000 34232.9538 -149014.2120 298.9649 -183247.1658 -148925.5796 300.3358 -14.3319 16.1961 557893.6305 13.4837 13.5954 PRESSURE: 440000 59.5283 135.312 60.0037 135.312 -1.4245 -87.0507 60.0037 -87.0499 167.404 GPRESSURE: 440000 83.5118 165.264 72.819 104.657 78.5034 -44.6375 22.5324 -65.4382 144.955 PRESSAVG: 440000 57.6255 59.0825 51.2445 59.0826 12.526 27.066 51.2444 27.0661 -38.0498 GPRESSAVG: 440000 56.8627 59.1933 50.6399 59.1274 13.8348 27.1523 51.1406 24.5525 -37.8953 TIMING: 440000 CPU: 1301.53, 0.0029879/step Wall: 1301.53, 0.0029879/step, 3.78467 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: 440000 778.1961 2122.3889 1935.3575 122.2254 -206418.4440 18087.0918 0.0000 0.0000 34408.4354 -148964.7491 300.4974 -183373.1845 -148874.4059 299.9160 75.1691 102.3232 558218.5437 10.7006 10.9341 PRESSURE: 440200 343.099 25.9545 -122.401 25.9549 336.377 -187.209 -122.402 -187.208 -116.897 GPRESSURE: 440200 395.893 57.2801 -140.659 18.392 353.792 -224.351 -66.6242 -168.438 -91.8792 PRESSAVG: 440200 66.1079 33.0393 -66.8749 33.0393 3.8652 -26.675 -66.8749 -26.6748 -51.8044 GPRESSAVG: 440200 67.2604 29.5932 -68.0413 33.8518 4.14987 -26.2361 -65.8102 -24.2448 -53.3253 TIMING: 440200 CPU: 1302.12, 0.00296602/step Wall: 1302.12, 0.00296602/step, 3.7568 hours remaining, 206.679688 MB of memory in use. ENERGY: 440200 773.5214 2161.0718 1946.8036 119.2341 -206517.6641 18143.7058 0.0000 0.0000 34453.8758 -148919.4516 300.8943 -183373.3274 -148827.4692 300.5778 187.5265 219.2687 556462.5075 6.0563 6.0283 LDB: ============= START OF LOAD BALANCING ============== 1305.55 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1305.55 LDB: =============== DONE WITH MIGRATION ================ 1305.55 LDB: ============= START OF LOAD BALANCING ============== 1305.84 LDB: Largest compute 4848 load 0.031229 is 26.5% of average load 0.117690 LDB: Average compute 0.001735 is 1.5% of average load 0.117690 LDB: TIME 1305.85 LOAD: AVG 0.11769 MAX 0.195698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.125 MB LDB: TIME 1305.85 LOAD: AVG 0.11769 MAX 0.195698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.125 MB LDB: TIME 1305.85 LOAD: AVG 0.11769 MAX 0.195698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.125 MB LDB: ============== END OF LOAD BALANCING =============== 1305.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1305.85 PRESSURE: 440400 62.3791 -9.02553 11.5418 -9.02477 211.024 -49.2613 11.5414 -49.2645 96.7844 GPRESSURE: 440400 95.7521 5.61625 75.2359 -107.86 217.757 -53.5474 15.781 1.66774 151.75 PRESSAVG: 440400 16.5254 46.4692 -28.0563 46.4693 37.3546 -62.8795 -28.0563 -62.8796 25.3925 GPRESSAVG: 440400 15.5295 47.5117 -26.5076 47.4328 37.1455 -64.192 -27.5464 -63.7609 26.7799 TIMING: 440400 CPU: 1302.72, 0.00301425/step Wall: 1302.72, 0.00301425/step, 3.81771 hours remaining, 206.234375 MB of memory in use. ENERGY: 440400 743.2883 2118.3141 1938.9321 103.5860 -206343.6442 17869.6335 0.0000 0.0000 34435.7665 -149134.1237 300.7361 -183569.8902 -149037.5254 300.5076 123.3959 155.0866 557542.3995 26.4242 26.4850 PRESSURE: 440600 -24.7953 26.7122 58.0779 26.7114 13.0508 -154.568 58.0791 -154.568 64.0892 GPRESSURE: 440600 50.358 43.0751 -31.2658 78.3468 5.67703 -170.549 32.8418 -101.366 90.4957 PRESSAVG: 440600 7.62136 44.9713 1.57664 44.9713 -23.2334 -37.834 1.57672 -37.8339 -1.25969 GPRESSAVG: 440600 7.64342 46.3347 1.53902 43.2531 -22.3166 -38.3232 -0.0432793 -36.0487 -2.25906 TIMING: 440600 CPU: 1303.31, 0.00295648/step Wall: 1303.31, 0.00295648/step, 3.74439 hours remaining, 206.437500 MB of memory in use. ENERGY: 440600 752.5148 2130.2786 1957.8155 110.2268 -206177.2295 17766.2145 0.0000 0.0000 34355.7104 -149104.4688 300.0370 -183460.1792 -149011.2546 299.8337 17.4483 48.8436 556731.5407 -5.6239 -5.6441 PRESSURE: 440800 -186.464 -44.6915 22.505 -44.6925 -299.991 -182.964 22.5047 -182.966 27.8999 GPRESSURE: 440800 -139.708 -55.5762 20.6048 11.4488 -286.391 -198.757 -3.71458 -128.939 63.0872 PRESSAVG: 440800 -25.3912 -3.74365 41.8964 -3.74364 -38.6807 -55.1861 41.8965 -55.1861 55.8055 GPRESSAVG: 440800 -24.0968 -2.4515 41.3989 -5.1553 -38.8152 -54.7337 42.1119 -57.2366 54.9068 TIMING: 440800 CPU: 1303.91, 0.00297235/step Wall: 1303.91, 0.00297235/step, 3.76432 hours remaining, 206.437500 MB of memory in use. ENERGY: 440800 764.3991 2148.2944 1948.8352 110.8535 -206027.7807 17645.4605 0.0000 0.0000 34293.0577 -149116.8803 299.4898 -183409.9380 -149026.8244 300.0359 -152.8516 -121.0040 557712.2710 -2.7554 -2.6684 PRESSURE: 441000 -184.567 36.9655 115.484 36.9659 -80.6484 -41.3939 115.485 -41.3944 52.209 GPRESSURE: 441000 -189.736 81.998 89.9349 85.4877 -61.8232 -87.0284 107.733 -153.527 132.224 PRESSAVG: 441000 13.0718 12.1077 -55.8861 12.1077 -27.7087 7.53537 -55.886 7.53541 48.3312 GPRESSAVG: 441000 12.4301 10.6823 -56.8686 14.3738 -28.8626 8.16329 -56.9305 8.6701 50.0442 TIMING: 441000 CPU: 1304.5, 0.00295458/step Wall: 1304.5, 0.00295458/step, 3.74165 hours remaining, 206.437500 MB of memory in use. ENERGY: 441000 773.2073 2098.0495 1950.4399 113.5908 -206191.8360 17744.4009 0.0000 0.0000 34254.4101 -149257.7376 299.1523 -183512.1477 -149156.8122 299.5604 -71.0022 -39.7783 556210.0703 11.2314 11.2039 PRESSURE: 441200 56.4321 -216.542 256.747 -216.542 13.1909 -225.007 256.748 -225.005 150.531 GPRESSURE: 441200 72.8543 -325.012 188.67 -238.046 30.2437 -283.472 271.658 -175.215 225.568 PRESSAVG: 441200 46.0117 33.1043 0.788125 33.1043 -20.3411 -27.7053 0.788104 -27.7053 -46.1057 GPRESSAVG: 441200 45.9104 33.0811 0.176043 29.7577 -19.3834 -27.4608 3.00291 -28.7609 -47.8356 TIMING: 441200 CPU: 1305.1, 0.00298335/step Wall: 1305.1, 0.00298335/step, 3.77791 hours remaining, 206.437500 MB of memory in use. ENERGY: 441200 724.2311 2084.9485 1983.9751 122.2451 -206467.9986 17867.1921 0.0000 0.0000 34410.4742 -149274.9326 300.5152 -183685.4068 -149181.8602 298.8238 73.3846 109.5552 555679.1123 -6.8117 -7.1028 PRESSURE: 441400 -160.114 -62.0475 208.334 -62.0472 -156.802 -0.414029 208.335 -0.413198 -258.933 GPRESSURE: 441400 -98.1916 68.083 167.007 -102.963 -169.207 19.6087 291.885 -60.5717 -204.869 PRESSAVG: 441400 22.5496 -34.1541 2.46079 -34.1541 27.5883 8.45741 2.4609 8.45729 -24.224 GPRESSAVG: 441400 23.6501 -34.5699 2.50178 -30.8717 25.7198 9.7069 4.13596 9.06057 -24.2177 TIMING: 441400 CPU: 1305.69, 0.00295359/step Wall: 1305.69, 0.00295359/step, 3.74006 hours remaining, 206.437500 MB of memory in use. ENERGY: 441400 788.8251 2046.1678 1955.9788 115.4011 -206301.6989 17678.3207 0.0000 0.0000 34213.2879 -149503.7175 298.7932 -183717.0054 -149397.4521 298.9763 -191.9496 -157.4225 558047.7113 8.6380 8.3840 PRESSURE: 441600 102.743 -15.0645 71.247 -15.0654 80.875 2.88591 71.2481 2.8855 -30.6169 GPRESSURE: 441600 95.6661 -5.43105 137.399 48.3127 93.6672 -53.261 29.4826 18.4776 75.3115 PRESSAVG: 441600 15.416 19.5283 10.393 19.5283 22.0024 -20.176 10.393 -20.176 -6.82915 GPRESSAVG: 441600 15.2785 20.1934 11.6313 19.3195 21.8365 -21.9296 7.42826 -19.6879 -6.17218 TIMING: 441600 CPU: 1306.28, 0.00295997/step Wall: 1306.28, 0.00295997/step, 3.74798 hours remaining, 206.437500 MB of memory in use. ENERGY: 441600 751.4482 2089.2815 1948.7029 125.7169 -206188.8201 17828.2304 0.0000 0.0000 34079.3819 -149366.0583 297.6237 -183445.4402 -149262.5213 298.0941 51.0004 88.2149 556986.4501 10.1964 10.3143 PRESSURE: 441800 42.7035 -158.023 -23.6463 -158.024 -22.211 -44.153 -23.6459 -44.1509 37.9442 GPRESSURE: 441800 55.4146 -196.714 -15.6178 -120.801 45.0499 -21.3085 -17.3966 50.2452 50.1047 PRESSAVG: 441800 9.26106 -17.4057 18.6809 -17.4057 -29.1216 20.4902 18.6809 20.4901 42.2399 GPRESSAVG: 441800 8.38551 -17.5318 17.7912 -18.4532 -28.3829 21.7002 19.3995 21.3531 41.6791 TIMING: 441800 CPU: 1306.87, 0.0029667/step Wall: 1306.87, 0.0029667/step, 3.75634 hours remaining, 206.437500 MB of memory in use. ENERGY: 441800 750.8374 2100.6162 1943.7497 123.4374 -206502.4478 17806.0338 0.0000 0.0000 34372.1700 -149405.6033 300.1807 -183777.7733 -149317.4286 298.6563 19.4789 50.1897 557107.7525 7.4598 7.2272 PRESSURE: 442000 -130.231 -34.5076 -58.6224 -34.5067 55.5898 -79.527 -58.6214 -79.5283 123.791 GPRESSURE: 442000 -156.134 -21.8421 -119.486 -10.7194 102.388 -96.3968 -104.798 -77.3525 206.647 PRESSAVG: 442000 59.3116 -0.709151 36.7568 -0.709151 -43.8445 -64.2714 36.7569 -64.2715 -53.5722 GPRESSAVG: 442000 59.0982 -0.364435 36.899 -1.83829 -43.1115 -64.6078 36.9593 -64.8172 -54.092 TIMING: 442000 CPU: 1307.46, 0.002963/step Wall: 1307.46, 0.002963/step, 3.75149 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: 442000 736.1994 2095.7129 1964.9853 99.2429 -206650.5644 18019.0516 0.0000 0.0000 34372.8654 -149362.5068 300.1868 -183735.3722 -149262.9923 299.4447 16.3833 50.9672 558393.0655 -12.7017 -12.7018 PRESSURE: 442200 11.3994 -26.72 -39.1268 -26.721 -74.2177 110.454 -39.1258 110.454 -5.73978 GPRESSURE: 442200 76.1076 -43.6774 14.0542 2.47988 -37.503 64.8319 -83.4185 76.7593 -7.2095 PRESSAVG: 442200 32.6611 -0.224624 -14.3774 -0.224719 -37.1248 20.2611 -14.3775 20.2611 48.0824 GPRESSAVG: 442200 32.7122 -2.8831 -13.0848 1.19566 -38.5149 19.1178 -14.9868 20.0784 48.967 TIMING: 442200 CPU: 1308.05, 0.00293761/step Wall: 1308.05, 0.00293761/step, 3.71918 hours remaining, 206.437500 MB of memory in use. ENERGY: 442200 725.9688 2120.8792 1938.3493 106.2531 -206729.7100 17932.7264 0.0000 0.0000 34254.4371 -149651.0960 299.1525 -183905.5332 -149556.0020 298.8828 -22.8527 10.4650 555838.3032 14.5396 14.3881 PRESSURE: 442400 173.23 -27.3958 -86.5095 -27.3951 91.0327 -21.7962 -86.5107 -21.7966 75.4354 GPRESSURE: 442400 139.533 -113.378 -73.9728 -4.10871 195.769 -17.4336 -87.4103 -1.12261 96.5509 PRESSAVG: 442400 23.4576 2.36891 -24.638 2.36896 32.5694 22.2426 -24.638 22.2425 -22.4409 GPRESSAVG: 442400 22.6245 2.2185 -24.9319 2.9179 32.6293 21.206 -23.9653 21.6214 -22.3694 TIMING: 442400 CPU: 1308.64, 0.00295617/step Wall: 1308.64, 0.00295617/step, 3.74251 hours remaining, 206.437500 MB of memory in use. ENERGY: 442400 739.3452 2172.5076 1950.4904 125.1942 -206909.9991 18113.3415 0.0000 0.0000 34230.6729 -149578.4474 298.9450 -183809.1203 -149492.1746 298.4390 113.2329 143.9512 556117.5393 11.1954 10.9614 PRESSURE: 442600 106.497 73.257 109.809 73.2566 158.039 65.3959 109.81 65.3975 -10.7755 GPRESSURE: 442600 85.3957 87.2425 123.776 117.095 190.374 93.8714 118.026 -7.52121 73.9056 PRESSAVG: 442600 -23.4656 19.0107 28.272 19.0107 21.5839 7.76049 28.2719 7.76061 2.45586 GPRESSAVG: 442600 -23.4962 20.279 27.7303 17.1761 21.9986 9.4324 27.1441 8.02001 2.52628 TIMING: 442600 CPU: 1309.24, 0.00297124/step Wall: 1309.24, 0.00297124/step, 3.76142 hours remaining, 206.437500 MB of memory in use. ENERGY: 442600 770.8718 2096.8596 1926.8420 122.1757 -206625.3081 18011.3070 0.0000 0.0000 34156.7550 -149540.4972 298.2994 -183697.2522 -149443.2663 298.2525 84.5869 116.5585 557067.7995 0.1914 0.3429 PRESSURE: 442800 -239.387 -65.2427 287.581 -65.2433 -85.1325 -60.7909 287.58 -60.7909 9.24401 GPRESSURE: 442800 -193.662 -62.9452 307.537 -25.3814 -48.0985 76.0576 234.767 -153.292 28.0718 PRESSAVG: 442800 -103.244 0.118207 37.0954 0.118184 32.7858 33.8573 37.0953 33.8571 58.583 GPRESSAVG: 442800 -101.929 0.00669294 38.2983 2.72945 33.1672 35.7923 34.9982 31.4299 57.267 TIMING: 442800 CPU: 1309.83, 0.00295328/step Wall: 1309.83, 0.00295328/step, 3.73852 hours remaining, 206.437500 MB of memory in use. ENERGY: 442800 743.1426 2096.1975 1949.4612 111.4818 -206413.6161 17731.6999 0.0000 0.0000 34179.4248 -149602.2084 298.4974 -183781.6331 -149510.2139 298.0661 -105.0919 -71.2294 557025.1427 -3.9582 -3.8314 PRESSURE: 443000 13.741 86.1828 -61.0024 86.1825 233.717 11.3024 -61.0012 11.302 312.894 GPRESSURE: 443000 33.7263 65.7581 -23.7632 75.0582 244.105 -60.6608 -94.59 12.3879 379.111 PRESSAVG: 443000 -79.0257 -23.1737 -19.4645 -23.1735 -11.2466 69.3996 -19.4646 69.3997 97.3548 GPRESSAVG: 443000 -80.3761 -22.5631 -19.541 -24.4918 -11.652 67.6067 -19.7068 71.1786 98.7717 TIMING: 443000 CPU: 1310.42, 0.00294833/step Wall: 1310.42, 0.00294833/step, 3.7321 hours remaining, 206.437500 MB of memory in use. ENERGY: 443000 735.1116 2133.4502 1956.4308 106.7112 -206535.6246 17950.2225 0.0000 0.0000 34043.6036 -149610.0948 297.3113 -183653.6984 -149512.2030 297.6990 186.7839 218.9809 555533.2553 2.3608 2.2479 PRESSURE: 443200 16.3489 54.942 -181.185 54.9429 -56.5351 62.4809 -181.184 62.483 -193.967 GPRESSURE: 443200 12.7301 66.1357 -145.714 31.1164 -52.8385 190.711 -162.523 70.138 -95.5577 PRESSAVG: 443200 10.4357 -21.5508 -40.1059 -21.5509 -17.7373 25.0897 -40.1059 25.0898 48.3445 GPRESSAVG: 443200 10.123 -21.7879 -38.953 -21.2075 -17.2117 24.9329 -38.9535 25.3174 48.2128 TIMING: 443200 CPU: 1311.01, 0.00295768/step Wall: 1311.01, 0.00295768/step, 3.74376 hours remaining, 206.437500 MB of memory in use. ENERGY: 443200 745.9916 2101.9958 1922.5397 115.0529 -206226.9382 17647.3764 0.0000 0.0000 34174.1135 -149519.8683 298.4510 -183693.9818 -149425.0732 298.3041 -78.0510 -45.2220 557822.7450 13.6810 13.7081 PRESSURE: 443400 255.216 6.25515 -51.5879 6.25434 296.166 76.6567 -51.5875 76.657 -33.2374 GPRESSURE: 443400 321.866 -30.5222 -3.75837 -54.6093 318.842 96.0489 -79.2873 1.91373 -22.7567 PRESSAVG: 443400 -18.6801 18.9144 14.9436 18.9144 -1.33411 27.3219 14.9436 27.3218 -18.0397 GPRESSAVG: 443400 -18.4633 18.884 14.2246 16.7016 -2.37937 27.891 14.1763 26.9036 -17.1306 TIMING: 443400 CPU: 1311.6, 0.00294962/step Wall: 1311.6, 0.00294962/step, 3.7334 hours remaining, 206.437500 MB of memory in use. ENERGY: 443400 750.5070 2153.4202 1928.5628 119.0590 -206696.2407 18054.7891 0.0000 0.0000 34184.8145 -149505.0879 298.5445 -183689.9025 -149412.9081 298.2644 172.7147 205.9841 555910.0798 -12.6847 -12.6578 PRESSURE: 443600 -167.47 59.6162 -186.174 59.6168 -59.5957 103.674 -186.173 103.672 -101.84 GPRESSURE: 443600 -99.3455 83.0654 -126.304 79.7038 -29.0573 114.51 -220.113 71.5805 -106.595 PRESSAVG: 443600 10.6707 8.06592 -17.2492 8.06599 43.1554 53.2183 -17.2491 53.2184 -34.504 GPRESSAVG: 443600 10.473 6.21703 -18.2244 12.3353 44.0571 52.2973 -14.8692 54.0548 -35.2148 TIMING: 443600 CPU: 1312.19, 0.00292631/step Wall: 1312.19, 0.00292631/step, 3.70374 hours remaining, 206.437500 MB of memory in use. ENERGY: 443600 770.1588 2124.5867 1950.0964 108.6642 -206277.6809 17607.5427 0.0000 0.0000 34453.8735 -149262.7586 300.8942 -183716.6321 -149172.5389 298.6494 -109.6353 -78.3327 556479.2513 6.4407 6.4384 PRESSURE: 443800 245.235 242.474 -212.887 242.474 150.234 -15.9425 -212.887 -15.9413 92.5069 GPRESSURE: 443800 274.322 118.808 -166.199 220.359 164.754 3.11096 -153.247 4.65743 139.23 PRESSAVG: 443800 -94.1634 35.1962 -64.6681 35.1962 57.4889 49.4506 -64.668 49.4507 62.7637 GPRESSAVG: 443800 -94.7462 37.4153 -63.9033 34.6594 56.9679 47.9113 -67.3174 51.5127 63.3193 TIMING: 443800 CPU: 1312.77, 0.00294253/step Wall: 1312.77, 0.00294253/step, 3.72409 hours remaining, 206.437500 MB of memory in use. ENERGY: 443800 740.8096 2033.5528 1930.8065 106.4400 -206355.9087 18089.2135 0.0000 0.0000 34016.4730 -149438.6134 297.0743 -183455.0864 -149340.1938 298.7896 162.6585 192.7686 557407.8730 8.6964 8.5137 PRESSURE: 444000 -154.575 1.48286 -132.564 1.48346 122.399 168.219 -132.564 168.219 47.8642 GPRESSURE: 444000 -80.1424 77.4927 -118.529 -45.3859 101.998 165.295 -130.466 147.553 86.4814 PRESSAVG: 444000 -26.3295 -4.61862 -50.6565 -4.61865 9.01752 21.0094 -50.6566 21.0095 60.4808 GPRESSAVG: 444000 -25.8733 -4.09912 -51.734 -5.04628 8.34467 24.6488 -48.8425 17.9577 60.3181 TIMING: 444000 CPU: 1313.37, 0.00295861/step Wall: 1313.37, 0.00295861/step, 3.74428 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: 444000 740.4337 2134.1750 1941.2892 115.5640 -206399.1734 17772.7814 0.0000 0.0000 34391.0935 -149303.8366 300.3460 -183694.9301 -149203.0071 298.7213 5.2295 36.1124 557527.9837 14.3896 14.2632 PRESSURE: 444200 13.8918 48.8184 -99.4635 48.8181 -317.117 86.0039 -99.4631 86.0022 -331.332 GPRESSURE: 444200 23.495 86.2642 -148.529 121.427 -264.585 54.8171 -58.4611 115.485 -297.132 PRESSAVG: 444200 -26.2475 4.51765 -65.8797 4.51766 -10.501 -1.68025 -65.8797 -1.68027 2.90514 GPRESSAVG: 444200 -27.2411 3.79577 -65.2907 3.44884 -8.69126 -3.48488 -65.717 1.11025 2.63334 TIMING: 444200 CPU: 1313.96, 0.00296258/step Wall: 1313.96, 0.00296258/step, 3.74914 hours remaining, 206.437500 MB of memory in use. ENERGY: 444200 799.7757 2121.4448 1956.3139 114.2933 -206117.2734 17682.1673 0.0000 0.0000 34125.1572 -149318.1212 298.0235 -183443.2784 -149220.7986 299.0436 -211.5192 -179.4072 558590.5814 -11.2811 -11.0997 LDB: ============= START OF LOAD BALANCING ============== 1317.38 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1317.38 LDB: =============== DONE WITH MIGRATION ================ 1317.39 LDB: ============= START OF LOAD BALANCING ============== 1317.68 LDB: Largest compute 4848 load 0.030479 is 25.9% of average load 0.117767 LDB: Average compute 0.001735 is 1.5% of average load 0.117767 LDB: TIME 1317.68 LOAD: AVG 0.117767 MAX 0.196125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.527 MB LDB: TIME 1317.68 LOAD: AVG 0.117767 MAX 0.196125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.758 MB LDB: TIME 1317.68 LOAD: AVG 0.117767 MAX 0.196125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1317.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1317.69 PRESSURE: 444400 36.6813 33.7063 -49.5911 33.706 -402.321 66.84 -49.5912 66.8396 -151.026 GPRESSURE: 444400 50.1364 43.9725 -93.9125 53.4224 -340.988 67.872 -91.4778 115.341 -137.459 PRESSAVG: 444400 -2.21192 -4.14046 -10.3972 -4.14047 -1.36768 34.2826 -10.3972 34.2827 -12.1501 GPRESSAVG: 444400 -1.69191 -3.38731 -10.8987 -2.91809 -0.660299 35.9825 -10.6751 32.5523 -13.1745 TIMING: 444400 CPU: 1314.56, 0.00301723/step Wall: 1314.56, 0.00301723/step, 3.81814 hours remaining, 205.238281 MB of memory in use. ENERGY: 444400 782.8076 2081.1294 1931.3041 111.1971 -206278.7845 17886.5064 0.0000 0.0000 34206.6500 -149279.1898 298.7352 -183485.8398 -149186.0985 298.6393 -172.2218 -142.7700 557651.5369 -5.2432 -5.1756 PRESSURE: 444600 21.7441 -66.656 -196.509 -66.6561 21.11 -94.8252 -196.508 -94.8261 115.324 GPRESSURE: 444600 -0.0978181 -40.4471 -167.669 -112.962 44.8049 -164.696 -203.665 -154.536 211.018 PRESSAVG: 444600 -22.6118 -2.71772 -16.5489 -2.71783 20.6016 -13.7046 -16.549 -13.7048 -0.541487 GPRESSAVG: 444600 -23.7362 -3.1249 -16.7232 -3.1724 20.5188 -13.5772 -16.4556 -12.2957 0.579037 TIMING: 444600 CPU: 1315.15, 0.00296503/step Wall: 1315.15, 0.00296503/step, 3.75191 hours remaining, 205.238281 MB of memory in use. ENERGY: 444600 759.8933 2074.7550 1955.9452 101.7003 -206386.5794 18129.6537 0.0000 0.0000 34160.7231 -149203.9090 298.3341 -183364.6320 -149110.7559 298.5012 52.7260 85.2418 557776.1359 -0.8505 -0.8795 PRESSURE: 444800 -114.358 -87.8306 9.59298 -87.83 -121.45 -98.2673 9.59325 -98.2681 -91.0243 GPRESSURE: 444800 -126.613 -63.1954 -46.1819 -102.353 -61.2045 -134.294 19.8667 -138.544 -56.871 PRESSAVG: 444800 -29.2696 -45.7063 -38.6072 -45.7063 12.718 18.7064 -38.6072 18.7065 8.51396 GPRESSAVG: 444800 -27.7256 -45.1474 -38.5284 -46.8921 13.3942 18.3886 -39.6373 17.2886 6.59245 TIMING: 444800 CPU: 1315.75, 0.00296136/step Wall: 1315.75, 0.00296136/step, 3.74711 hours remaining, 205.238281 MB of memory in use. ENERGY: 444800 738.2243 2176.4572 1948.5519 114.0074 -206028.3857 17428.3340 0.0000 0.0000 34425.3889 -149197.4220 300.6455 -183622.8109 -149096.0726 299.1770 -108.9441 -81.5629 556826.1678 -2.6792 -2.5797 PRESSURE: 445000 150.298 112.803 -24.6426 112.803 -10.6766 77.8669 -24.6432 77.8668 60.3408 GPRESSURE: 445000 189.643 114.707 -34.8036 125.158 80.7537 111.631 6.41328 144.202 37.6699 PRESSAVG: 445000 -30.6566 -60.8192 -33.2346 -60.8193 -3.17549 -11.4055 -33.2345 -11.4056 17.3833 GPRESSAVG: 445000 -30.2699 -62.3497 -34.0427 -59.707 -5.16175 -12.5621 -32.0307 -11.4931 18.8927 TIMING: 445000 CPU: 1316.34, 0.00298432/step Wall: 1316.34, 0.00298432/step, 3.77599 hours remaining, 205.238281 MB of memory in use. ENERGY: 445000 772.6378 2172.6080 1939.2409 115.0213 -206363.3285 17749.4703 0.0000 0.0000 34143.1349 -149471.2153 298.1805 -183614.3502 -149374.8855 298.9500 66.6540 102.6888 556112.3924 -5.4829 -5.5130 PRESSURE: 445200 8.10445 -142.416 152.27 -142.417 -202.218 -154.823 152.27 -154.824 78.9768 GPRESSURE: 445200 19.3506 -175.872 237.429 -68.4671 -117.022 -189.346 64.4228 -136.343 73.5918 PRESSAVG: 445200 40.4305 -10.3472 -11.9758 -10.3473 -32.7643 58.8663 -11.9759 58.8663 -19.3012 GPRESSAVG: 445200 39.3649 -9.23107 -11.5264 -9.7094 -30.8873 61.2103 -12.2115 57.7867 -19.586 TIMING: 445200 CPU: 1316.93, 0.00295793/step Wall: 1316.93, 0.00295793/step, 3.74243 hours remaining, 205.238281 MB of memory in use. ENERGY: 445200 750.7136 2136.6741 1949.5258 108.4619 -206272.7363 17772.7273 0.0000 0.0000 33930.5756 -149624.0580 296.3242 -183554.6336 -149522.5835 298.8125 -38.3790 -8.0265 556661.8737 -3.8783 -3.7028 PRESSURE: 445400 -41.4166 174.057 38.9855 174.054 49.293 -140.101 38.9854 -140.101 -392.505 GPRESSURE: 445400 -45.8718 242.533 -32.4341 105.833 99.0627 12.1503 78.7719 -197.768 -351.148 PRESSAVG: 445400 28.309 24.0369 -14.8491 24.0368 -12.2659 -53.593 -14.8491 -53.5929 -13.2413 GPRESSAVG: 445400 28.8729 24.8347 -14.9996 23.0618 -12.6549 -56.8258 -15.1522 -51.9372 -13.5456 TIMING: 445400 CPU: 1317.53, 0.00296042/step Wall: 1317.53, 0.00296042/step, 3.74543 hours remaining, 205.238281 MB of memory in use. ENERGY: 445400 738.7513 2113.7722 1924.5229 112.7617 -206186.5388 17517.0099 0.0000 0.0000 34083.0438 -149696.6772 297.6557 -183779.7209 -149604.5360 297.5712 -128.2095 -99.3191 557186.8076 0.9340 0.8908 PRESSURE: 445600 128.623 6.78767 184.094 6.78745 263.033 -13.3296 184.094 -13.3285 -30.791 GPRESSURE: 445600 103.386 10.1038 164.033 37.1998 321.935 29.8889 172.61 -32.2578 31.8592 PRESSAVG: 445600 17.5096 23.5696 39.6409 23.5697 27.5274 -33.9545 39.641 -33.9545 -17.1635 GPRESSAVG: 445600 17.4232 22.3807 39.1627 23.8241 26.9537 -34.2475 41.1391 -33.5795 -16.1944 TIMING: 445600 CPU: 1318.12, 0.00296443/step Wall: 1318.12, 0.00296443/step, 3.75033 hours remaining, 205.238281 MB of memory in use. ENERGY: 445600 744.5514 2070.7734 1953.8057 110.1337 -206719.2397 18219.7949 0.0000 0.0000 34035.1336 -149585.0470 297.2373 -183620.1806 -149498.4089 297.6627 120.2883 152.3935 559401.0347 9.2911 9.3942 PRESSURE: 445800 111.47 -66.5389 -76.0303 -66.5382 -201.385 7.29627 -76.0298 7.29667 103.871 GPRESSURE: 445800 161.836 -80.3635 -55.7166 -36.1604 -210.397 1.05626 -70.9774 -0.859683 162.37 PRESSAVG: 445800 0.111331 -0.430538 14.1531 -0.430549 43.8039 -55.1428 14.1531 -55.1427 -28.3102 GPRESSAVG: 445800 -0.65551 -1.62141 15.4521 -0.155263 45.0005 -55.28 14.0559 -55.8975 -28.6409 TIMING: 445800 CPU: 1318.71, 0.00294535/step Wall: 1318.71, 0.00294535/step, 3.72603 hours remaining, 205.238281 MB of memory in use. ENERGY: 445800 763.6634 2063.5881 1927.9482 102.1909 -206787.6879 18158.4005 0.0000 0.0000 34039.3729 -149732.5239 297.2743 -183771.8968 -149629.1522 297.7074 4.6518 37.9363 558203.0334 5.2017 5.2347 PRESSURE: 446000 -159.56 -30.8628 75.2621 -30.8627 271.12 -17.4545 75.2622 -17.4519 -27.7301 GPRESSURE: 446000 -53.493 -77.0813 90.3234 39.4889 269.541 17.9732 91.3811 -55.4902 -23.1595 PRESSAVG: 446000 14.1745 27.1689 4.422 27.1689 -0.404282 3.2011 4.42197 3.20114 15.413 GPRESSAVG: 446000 14.7503 28.5526 4.59313 27.6652 -1.32797 4.44812 5.02102 4.61281 15.9604 TIMING: 446000 CPU: 1319.3, 0.00293897/step Wall: 1319.3, 0.00293897/step, 3.71779 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: 446000 762.8314 2024.5801 1948.6311 115.3371 -206636.8536 17924.8531 0.0000 0.0000 34218.5669 -149642.0539 298.8393 -183860.6208 -149541.9438 298.4773 27.9434 64.2962 556856.7479 9.7277 9.7942 PRESSURE: 446200 72.7288 -218.83 -201.111 -218.831 215.518 -82.9825 -201.112 -82.9828 -9.88496 GPRESSURE: 446200 135.35 -223.268 -229.145 -226.036 209.497 -55.1462 -169.788 -158.24 31.6496 PRESSAVG: 446200 -5.81874 -3.67774 -58.4146 -3.67773 -17.8988 56.363 -58.4146 56.363 3.59553 GPRESSAVG: 446200 -5.55163 -4.8631 -58.5605 -2.79971 -18.0068 55.3273 -59.9028 55.9987 3.23049 TIMING: 446200 CPU: 1319.89, 0.00294253/step Wall: 1319.89, 0.00294253/step, 3.72214 hours remaining, 205.238281 MB of memory in use. ENERGY: 446200 748.8036 2112.5672 1948.3084 111.8557 -206910.9149 18082.0480 0.0000 0.0000 34207.6694 -149699.6626 298.7441 -183907.3320 -149602.3383 298.0954 92.7872 125.4987 556875.5887 -6.7073 -6.7760 PRESSURE: 446400 -94.9833 15.3086 -27.9057 15.3089 -144.462 12.3145 -27.9061 12.3141 -120.33 GPRESSURE: 446400 -42.9485 -13.8176 54.3661 87.2498 -101.678 81.5911 -40.2281 -49.7797 -123.078 PRESSAVG: 446400 -42.7507 -33.2928 -21.2672 -33.2928 29.0606 17.3291 -21.2672 17.329 28.2319 GPRESSAVG: 446400 -43.2706 -32.9937 -21.8226 -31.605 29.0727 17.6008 -21.918 16.8883 28.1351 TIMING: 446400 CPU: 1320.48, 0.00295699/step Wall: 1320.48, 0.00295699/step, 3.74027 hours remaining, 205.238281 MB of memory in use. ENERGY: 446400 727.2705 2080.1430 1940.5127 106.7068 -206395.2255 17636.6739 0.0000 0.0000 34187.8854 -149716.0331 298.5713 -183903.9185 -149618.8314 297.4678 -119.9248 -89.2351 557962.1604 4.8473 4.6458 PRESSURE: 446600 -402.434 22.8617 -133.179 22.8621 -53.66 -84.5188 -133.18 -84.5197 -260.508 GPRESSURE: 446600 -385.007 30.3428 -119.087 5.35833 -54.6881 -56.6398 -99.8907 -69.6581 -183.269 PRESSAVG: 446600 -20.5851 -60.1774 -59.7808 -60.1774 19.831 29.1627 -59.7808 29.1627 -39.2912 GPRESSAVG: 446600 -20.5473 -60.0455 -59.1249 -63.1677 21.2763 30.9451 -59.5823 29.3095 -40.7026 TIMING: 446600 CPU: 1321.07, 0.0029748/step Wall: 1321.07, 0.0029748/step, 3.76263 hours remaining, 205.238281 MB of memory in use. ENERGY: 446600 742.8354 2139.0499 1939.7478 110.8778 -206123.4803 17522.7069 0.0000 0.0000 34174.4965 -149493.7660 298.4544 -183668.2625 -149396.4654 298.0132 -238.8675 -207.6547 558942.4116 -13.3484 -13.3245 PRESSURE: 446800 -59.7763 32.8435 -102.241 32.843 -313.528 -120.475 -102.241 -120.475 -39.842 GPRESSURE: 446800 -49.4768 -7.69048 -44.5005 65.1854 -235.84 -121.418 -152.014 -124.347 -27.0417 PRESSAVG: 446800 26.0537 -31.3108 -59.2142 -31.3108 5.89116 1.22995 -59.2142 1.2297 -21.7729 GPRESSAVG: 446800 26.3978 -31.798 -59.6457 -32.5135 4.73789 0.0443662 -58.4062 0.659767 -20.9271 TIMING: 446800 CPU: 1321.66, 0.00295984/step Wall: 1321.66, 0.00295984/step, 3.74355 hours remaining, 205.238281 MB of memory in use. ENERGY: 446800 772.5284 2117.8720 1970.7282 111.5800 -206353.5602 17820.1420 0.0000 0.0000 34173.6885 -149387.0210 298.4473 -183560.7095 -149292.0732 298.5989 -137.7154 -104.1195 558777.4149 3.3907 3.4029 PRESSURE: 447000 88.8141 13.223 17.269 13.2233 -129.33 -44.2335 17.2692 -44.2317 50.9136 GPRESSURE: 447000 71.9506 21.4805 82.4995 97.5222 -62.7387 -18.2128 -8.14563 -89.4915 100.684 PRESSAVG: 447000 -26.7151 -37.925 -19.0069 -37.925 20.7768 -8.62663 -19.0069 -8.62677 -0.581518 GPRESSAVG: 447000 -26.3978 -35.0754 -19.5778 -36.1295 20.705 -8.21176 -19.6029 -8.18545 -0.727953 TIMING: 447000 CPU: 1322.25, 0.00293931/step Wall: 1322.25, 0.00293931/step, 3.71741 hours remaining, 205.238281 MB of memory in use. ENERGY: 447000 737.9997 2158.0729 1960.9069 122.6085 -206509.4648 17938.8536 0.0000 0.0000 34093.7597 -149497.2634 297.7493 -183591.0231 -149402.8938 298.2807 3.4659 36.6319 557396.3850 -2.1733 -2.1402 PRESSURE: 447200 88.1177 -133.101 19.9307 -133.1 -43.217 32.2955 19.9299 32.2954 114.82 GPRESSURE: 447200 140.296 -171.274 30.5445 -11.693 -13.3857 -10.3303 -30.4766 142.536 125.689 PRESSAVG: 447200 33.4136 -62.0216 38.805 -62.0215 -6.78202 -24.6013 38.805 -24.6012 -5.50338 GPRESSAVG: 447200 34.0568 -64.9686 39.4591 -60.0796 -6.00537 -24.2094 38.2379 -26.0713 -6.76572 TIMING: 447200 CPU: 1322.84, 0.00295098/step Wall: 1322.84, 0.00295098/step, 3.732 hours remaining, 205.238281 MB of memory in use. ENERGY: 447200 757.1158 2105.8465 1930.3681 120.0486 -206580.4892 17958.4056 0.0000 0.0000 34226.0655 -149482.6390 298.9047 -183708.7045 -149372.9873 298.7389 53.2401 84.1998 556123.4019 7.0427 7.0952 PRESSURE: 447400 -123.458 -62.6592 -13.6249 -62.6584 -139.096 135.002 -13.6254 135.001 8.69408 GPRESSURE: 447400 -85.0698 -118.56 -36.836 38.942 -100.551 97.4636 -32.6948 41.2374 28.8688 PRESSAVG: 447400 24.2881 47.029 26.5349 47.029 -37.9475 34.1562 26.5348 34.1563 30.0715 GPRESSAVG: 447400 24.0604 49.2302 28.5549 44.8055 -38.854 32.3537 24.5219 36.3696 30.7029 TIMING: 447400 CPU: 1323.43, 0.00295588/step Wall: 1323.43, 0.00295588/step, 3.73804 hours remaining, 205.238281 MB of memory in use. ENERGY: 447400 738.0917 2084.1008 1961.5624 128.9660 -206214.9479 17697.8759 0.0000 0.0000 34215.8466 -149388.5046 298.8155 -183604.3512 -149282.4297 298.1071 -84.6199 -52.2507 556074.5302 5.4707 5.3031 PRESSURE: 447600 -320.198 15.5368 61.2355 15.5374 19.808 166.998 61.236 166.997 -251.391 GPRESSURE: 447600 -282.027 31.1391 119.644 16.9162 -28.1433 198.158 7.67417 132.848 -134.421 PRESSAVG: 447600 -10.8256 93.964 -36.2258 93.964 29.5131 71.1321 -36.2259 71.1321 12.3541 GPRESSAVG: 447600 -11.2348 93.3485 -38.5828 94.3738 30.4494 73.1775 -33.0887 69.2681 12.5937 TIMING: 447600 CPU: 1324.02, 0.00295425/step Wall: 1324.02, 0.00295425/step, 3.73582 hours remaining, 205.238281 MB of memory in use. ENERGY: 447600 777.0304 2188.5354 1941.8359 114.0886 -206448.2039 17843.5779 0.0000 0.0000 34137.6857 -149445.4501 298.1329 -183583.1358 -149344.1089 297.9359 -183.9272 -148.1972 557342.2025 10.3472 10.6028 PRESSURE: 447800 34.5916 27.6973 -1.5049 27.697 -352.624 -4.88211 -1.50485 -4.88283 -214.008 GPRESSURE: 447800 36.7286 83.0143 -1.05473 93.824 -280.765 42.9977 -17.0601 26.6673 -190.704 PRESSAVG: 447800 52.4226 12.8201 8.88892 12.8202 -31.0092 53.3464 8.88899 53.3466 -1.31118 GPRESSAVG: 447800 52.535 13.2808 9.08436 12.7369 -31.112 53.8031 9.41868 53.0734 -1.24974 TIMING: 447800 CPU: 1324.61, 0.00295228/step Wall: 1324.61, 0.00295228/step, 3.73316 hours remaining, 205.238281 MB of memory in use. ENERGY: 447800 771.8504 2046.1797 1969.9105 108.8844 -206362.2540 17711.7842 0.0000 0.0000 34266.8005 -149486.8443 299.2605 -183753.6448 -149384.7381 298.3250 -177.3468 -144.9132 557695.1613 6.7007 6.7244 PRESSURE: 448000 154.495 24.7877 64.9473 24.7881 20.5631 9.93548 64.9468 9.93344 286.383 GPRESSURE: 448000 184.253 5.13561 38.0275 36.3427 60.8468 -51.3545 60.6514 56.9691 305.233 PRESSAVG: 448000 58.3673 -1.75756 11.3556 -1.75749 -33.8338 6.10953 11.3557 6.10952 -43.5864 GPRESSAVG: 448000 57.7336 -3.19176 12.5699 -2.15549 -33.4201 4.21667 10.1233 8.48914 -43.2599 TIMING: 448000 CPU: 1325.2, 0.00293908/step Wall: 1325.2, 0.00293908/step, 3.7163 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: 448000 743.6491 2118.1010 1961.1770 132.7816 -206625.3847 17956.5421 0.0000 0.0000 34179.3718 -149533.7621 298.4970 -183713.1339 -149433.9630 298.4135 153.8137 183.4445 554465.5859 -6.3510 -6.3155 PRESSURE: 448200 90.4592 -122.893 145.909 -122.892 84.5669 199.522 145.908 199.523 -62.3092 GPRESSURE: 448200 114.495 -143.128 214.988 -135.994 145.086 116.814 175.254 202.656 -49.5464 PRESSAVG: 448200 43.7713 -17.4072 8.77024 -17.4072 -10.0083 42.3325 8.77028 42.3326 -24.1377 GPRESSAVG: 448200 44.9582 -15.7306 9.20969 -18.0679 -10.8288 43.4825 9.04804 41.6982 -25.1239 TIMING: 448200 CPU: 1325.79, 0.00295084/step Wall: 1325.79, 0.00295084/step, 3.73101 hours remaining, 205.492188 MB of memory in use. ENERGY: 448200 753.8488 2045.6782 1948.5955 108.0000 -206647.1621 17963.0475 0.0000 0.0000 34308.6798 -149519.3121 299.6262 -183827.9919 -149421.9888 298.9938 37.5723 70.0114 556319.6913 3.2084 3.0018 LDB: ============= START OF LOAD BALANCING ============== 1329.22 LDB: ============== END OF LOAD BALANCING =============== 1329.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1329.22 LDB: ============= START OF LOAD BALANCING ============== 1329.52 LDB: Largest compute 4848 load 0.031528 is 26.8% of average load 0.117788 LDB: Average compute 0.001738 is 1.5% of average load 0.117788 LDB: TIME 1329.52 LOAD: AVG 0.117788 MAX 0.196922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.172 MB LDB: TIME 1329.52 LOAD: AVG 0.117788 MAX 0.196922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.242 MB LDB: TIME 1329.52 LOAD: AVG 0.117788 MAX 0.196922 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.242 MB LDB: ============== END OF LOAD BALANCING =============== 1329.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1329.53 PRESSURE: 448400 8.8964 -31.5749 157.815 -31.5748 122.646 -67.7772 157.816 -67.7777 -41.0878 GPRESSURE: 448400 94.499 -15.0943 195.452 2.08632 69.3173 -68.8285 110.539 -144.653 21.6447 PRESSAVG: 448400 38.5862 -26.9297 29.981 -26.9297 -5.98651 4.31748 29.9811 4.31728 -29.8359 GPRESSAVG: 448400 37.3202 -26.0815 28.3314 -26.9768 -5.7387 2.10562 29.5829 4.55873 -29.7173 TIMING: 448400 CPU: 1326.4, 0.00302789/step Wall: 1326.4, 0.00302789/step, 3.82827 hours remaining, 204.687500 MB of memory in use. ENERGY: 448400 734.4175 2034.7224 1944.7245 112.1381 -206485.1203 18025.5164 0.0000 0.0000 34193.0327 -149440.5687 298.6163 -183633.6014 -149336.1248 298.6943 30.1515 61.8203 557929.6294 0.9213 0.6214 PRESSURE: 448600 -68.6713 15.9677 -132.109 15.9676 -474.964 47.01 -132.109 47.0104 -241.873 GPRESSURE: 448600 -59.1383 69.9343 -111.777 32.8899 -440.69 54.1237 -166.612 -19.0492 -202.185 PRESSAVG: 448600 30.6177 10.883 6.93284 10.883 -40.7303 -15.0446 6.93293 -15.0447 13.5362 GPRESSAVG: 448600 31.1683 10.5669 6.70139 13.1718 -40.9965 -13.0537 6.87939 -15.9102 13.4666 TIMING: 448600 CPU: 1326.99, 0.00295646/step Wall: 1326.99, 0.00295646/step, 3.73779 hours remaining, 204.886719 MB of memory in use. ENERGY: 448600 746.7399 2131.5807 1942.6542 110.3410 -206424.2480 17733.0188 0.0000 0.0000 34366.2467 -149393.6667 300.1290 -183759.9133 -149289.4425 299.6265 -261.8361 -234.0046 557837.7833 1.1412 1.2128 PRESSURE: 448800 60.1596 28.0823 122.865 28.0838 -118.458 -50.5361 122.867 -50.5368 1.54578 GPRESSURE: 448800 69.0475 142.045 48.7193 -19.2132 -20.6606 -94.6663 124.2 -11.6383 -7.33695 PRESSAVG: 448800 -25.9073 -33.1792 31.1486 -33.1791 -25.5002 -11.1839 31.1486 -11.1839 67.733 GPRESSAVG: 448800 -25.6674 -33.578 30.5804 -35.5461 -26.1534 -11.2628 31.3078 -10.4064 68.1779 TIMING: 448800 CPU: 1327.59, 0.0029813/step Wall: 1327.59, 0.0029813/step, 3.76902 hours remaining, 204.886719 MB of memory in use. ENERGY: 448800 760.9921 2129.0856 1954.4826 111.3692 -206507.2820 17920.9037 0.0000 0.0000 34260.7376 -149369.7112 299.2075 -183630.4488 -149271.8049 298.8798 -18.9174 13.6833 557358.6446 5.4418 5.4523 PRESSURE: 449000 -180.933 -16.0277 -94.2872 -16.0278 72.0022 -52.9321 -94.2877 -52.9332 29.13 GPRESSURE: 449000 -176.286 -38.2443 -44.3509 -6.0931 122.402 -47.0419 -60.9101 36.0427 72.7102 PRESSAVG: 449000 33.79 -10.9934 -26.5714 -10.9934 -31.2827 -10.1182 -26.5713 -10.1181 -11.4748 GPRESSAVG: 449000 32.9959 -12.5789 -27.2769 -10.272 -29.6489 -10.4835 -28.1551 -10.4473 -12.1337 TIMING: 449000 CPU: 1328.18, 0.00297992/step Wall: 1328.18, 0.00297992/step, 3.76712 hours remaining, 204.886719 MB of memory in use. ENERGY: 449000 711.7318 2122.7470 1969.3919 110.1695 -206343.2636 17714.6167 0.0000 0.0000 34087.7762 -149626.8305 297.6970 -183714.6067 -149526.9001 297.7020 -26.6001 6.2753 556086.9404 -2.9892 -2.9289 PRESSURE: 449200 -76.8188 -131.232 93.8185 -131.231 -221.701 34.6089 93.8189 34.6097 -158.406 GPRESSURE: 449200 -57.7528 -65.6732 132.77 -183.475 -218.125 -16.4679 30.569 93.0708 -86.8044 PRESSAVG: 449200 -13.0796 -58.7053 37.8688 -58.7052 -37.0425 5.47769 37.8687 5.47764 45.1052 GPRESSAVG: 449200 -12.5192 -59.6754 38.0417 -57.3577 -38.7986 4.33444 39.3774 5.30541 46.1771 TIMING: 449200 CPU: 1328.78, 0.00297989/step Wall: 1328.78, 0.00297989/step, 3.76691 hours remaining, 204.886719 MB of memory in use. ENERGY: 449200 759.2470 2118.1822 1954.7064 106.0101 -206461.0471 17690.2191 0.0000 0.0000 34257.4964 -149575.1860 299.1792 -183832.6824 -149478.6355 298.0729 -152.3086 -120.8942 556882.0542 -1.6723 -1.7136 PRESSURE: 449400 98.2652 -67.8383 4.47532 -67.838 -34.3363 13.3816 4.47415 13.3811 25.7787 GPRESSURE: 449400 143.088 9.47906 16.6351 -141.497 30.1704 12.7318 54.9681 53.4659 3.81055 PRESSAVG: 449400 -17.9772 -5.10353 48.1492 -5.10364 -7.48963 -2.10855 48.1492 -2.10837 -14.1264 GPRESSAVG: 449400 -18.0768 -4.04686 48.4606 -3.88098 -7.6203 -0.525068 48.4824 -1.86746 -14.3287 TIMING: 449400 CPU: 1329.37, 0.00295117/step Wall: 1329.37, 0.00295117/step, 3.73044 hours remaining, 204.886719 MB of memory in use. ENERGY: 449400 729.8012 2053.7370 1940.3013 120.6947 -206301.0256 17877.9881 0.0000 0.0000 34071.8276 -149506.6756 297.5577 -183578.5032 -149410.3966 298.2994 29.9025 59.0229 556780.9091 -13.1977 -13.3419 PRESSURE: 449600 -263.352 44.6794 -18.0504 44.6795 270.174 -29.591 -18.0507 -29.591 122.826 GPRESSURE: 449600 -175.437 -30.1217 -31.0622 40.2499 277.911 -55.2659 60.8447 -18.698 112.676 PRESSAVG: 449600 -72.0168 86.4595 6.3326 86.4596 0.81619 12.9853 6.3326 12.9851 68.8217 GPRESSAVG: 449600 -71.7491 86.5769 7.17864 85.3025 1.8381 13.1169 6.93897 10.7066 67.4824 TIMING: 449600 CPU: 1329.96, 0.00298039/step Wall: 1329.96, 0.00298039/step, 3.76721 hours remaining, 204.886719 MB of memory in use. ENERGY: 449600 726.3023 2162.3462 1938.5165 106.8355 -206223.9012 17735.0669 0.0000 0.0000 34116.9408 -149437.8931 297.9517 -183554.8339 -149340.2776 298.1938 43.2160 71.7166 556228.8402 -0.7930 -0.8096 PRESSURE: 449800 133.724 180.399 195.716 180.399 -94.272 225.328 195.716 225.328 89.6258 GPRESSURE: 449800 208.569 193.105 124.737 160.688 -77.4267 160.413 153.286 308.058 82.8129 PRESSAVG: 449800 -63.8754 30.1086 15.7911 30.1087 -19.9579 72.7873 15.791 72.7873 87.2556 GPRESSAVG: 449800 -63.7677 31.6391 15.8458 30.3732 -19.0342 73.3228 15.9392 75.2243 86.6498 TIMING: 449800 CPU: 1330.56, 0.00295757/step Wall: 1330.56, 0.00295757/step, 3.73821 hours remaining, 204.886719 MB of memory in use. ENERGY: 449800 783.6256 2087.6470 1943.1686 108.5555 -206515.7330 18030.2669 0.0000 0.0000 34239.8839 -149322.5855 299.0254 -183562.4694 -149225.0899 298.5494 43.0259 71.3185 557135.3203 1.1408 1.2826 PRESSURE: 450000 188.533 66.6447 106.034 66.6442 -27.9229 52.1668 106.034 52.1659 -98.0219 GPRESSURE: 450000 252.711 70.0896 102.735 49.1272 -35.7018 61.6437 132.437 -25.4824 -52.8968 PRESSAVG: 450000 -54.5554 25.7682 10.5718 25.7682 5.41908 40.4839 10.5717 40.4839 20.7003 GPRESSAVG: 450000 -55.3485 25.4052 11.4202 25.7021 4.34531 41.1511 8.56969 38.1885 22.8241 TIMING: 450000 CPU: 1331.14, 0.00293483/step Wall: 1331.14, 0.00293483/step, 3.70929 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: 450000 756.6013 2086.0830 1973.7852 119.4483 -206759.8594 18039.2504 0.0000 0.0000 34355.1414 -149429.5498 300.0320 -183784.6911 -149331.2937 299.2412 20.8627 54.7042 557125.5669 -9.4787 -9.3930 PRESSURE: 450200 -82.882 -4.57543 -49.8113 -4.57532 231.634 -48.434 -49.8107 -48.4309 -141.117 GPRESSURE: 450200 -14.6701 -91.8089 -112.774 -7.35547 223.07 4.80224 -22.7544 -132.059 -88.9733 PRESSAVG: 450200 -70.4071 -5.28017 -18.6768 -5.28017 47.1921 -42.543 -18.6768 -42.5429 17.6549 GPRESSAVG: 450200 -70.3394 -3.32274 -18.8532 -7.37477 47.3744 -41.8083 -17.1154 -41.9074 17.2915 TIMING: 450200 CPU: 1331.73, 0.00294281/step Wall: 1331.73, 0.00294281/step, 3.71922 hours remaining, 204.886719 MB of memory in use. ENERGY: 450200 765.7261 2090.7547 1962.0716 116.2166 -206494.2878 17799.1386 0.0000 0.0000 34217.1254 -149543.2547 298.8267 -183760.3800 -149440.2015 298.4292 2.5450 39.8090 557221.2277 -1.8534 -1.8912 PRESSURE: 450400 -134.275 -92.7185 184.904 -92.7195 -161.843 -17.901 184.903 -17.9029 -94.8169 GPRESSURE: 450400 -87.5645 15.1937 99.8147 -134.475 -97.9291 -51.2124 239.651 -15.9899 -102.19 PRESSAVG: 450400 -1.61859 -34.1067 3.77533 -34.1066 16.3246 12.6733 3.77535 12.6733 -31.4959 GPRESSAVG: 450400 -2.21225 -35.8828 3.02662 -30.6303 16.8853 11.3259 3.49647 13.1929 -31.3723 TIMING: 450400 CPU: 1332.32, 0.00292971/step Wall: 1332.32, 0.00292971/step, 3.7025 hours remaining, 204.886719 MB of memory in use. ENERGY: 450400 758.9009 2049.5246 1931.9142 121.1797 -206163.6489 17714.0206 0.0000 0.0000 33985.5772 -149602.5316 296.8045 -183588.1088 -149504.2270 297.8300 -130.3117 -95.8946 557899.4664 -5.5966 -5.5664 PRESSURE: 450600 131.702 241.457 38.8341 241.458 -7.74654 67.8445 38.8353 67.8432 60.9985 GPRESSURE: 450600 213.781 189.451 68.2972 188.584 38.8402 94.2979 36.6021 142.826 28.4201 PRESSAVG: 450600 10.5236 -1.21245 -5.9031 -1.21234 -12.1581 -5.58968 -5.9031 -5.58978 -27.9497 GPRESSAVG: 450600 11.2461 -1.90392 -5.99269 -4.00999 -11.5056 -7.18937 -7.08802 -4.79041 -28.8503 TIMING: 450600 CPU: 1332.91, 0.00295033/step Wall: 1332.91, 0.00295033/step, 3.7284 hours remaining, 204.886719 MB of memory in use. ENERGY: 450600 734.7723 2078.4376 1964.2290 110.2219 -206803.7215 18144.0988 0.0000 0.0000 34128.4270 -149643.5350 298.0520 -183771.9620 -149547.4194 298.7388 61.6514 93.6804 556452.3356 -9.8614 -9.7033 PRESSURE: 450800 201.39 57.9695 122.933 57.9702 133.639 -25.1079 122.933 -25.1076 266.649 GPRESSURE: 450800 274.036 85.5774 99.875 45.4852 123.198 65.6242 85.4191 -67.23 310.328 PRESSAVG: 450800 -67.9727 52.4397 -15.1869 52.4398 -1.90876 2.82044 -15.1869 2.82048 76.9813 GPRESSAVG: 450800 -67.3235 53.0311 -16.0361 54.8934 -2.7423 4.19627 -15.1626 4.66824 77.1482 TIMING: 450800 CPU: 1333.5, 0.00295729/step Wall: 1333.5, 0.00295729/step, 3.73703 hours remaining, 204.886719 MB of memory in use. ENERGY: 450800 694.3811 2057.2510 1914.3519 110.2363 -206566.5705 18023.7270 0.0000 0.0000 34314.3815 -149452.2416 299.6760 -183766.6231 -149350.1182 298.3246 200.5593 235.8538 557321.4788 2.3666 2.3608 PRESSURE: 451000 -173.161 -32.268 92.0646 -32.2683 -357.254 36.5994 92.0657 36.6009 -152.25 GPRESSURE: 451000 -171.146 -24.2825 123.385 -113.253 -274.438 19.0165 49.7433 -3.65057 -136.093 PRESSAVG: 451000 26.8979 39.516 53.0022 39.5159 -11.3374 -13.9046 53.0021 -13.9045 20.1123 GPRESSAVG: 451000 26.9747 39.7494 54.9736 37.2492 -11.6122 -13.1227 52.6339 -17.9134 20.4921 TIMING: 451000 CPU: 1334.09, 0.0029568/step Wall: 1334.09, 0.0029568/step, 3.73624 hours remaining, 204.886719 MB of memory in use. ENERGY: 451000 769.3899 2087.0913 1933.8287 125.9027 -206335.3748 17744.2541 0.0000 0.0000 34203.2376 -149471.6705 298.7054 -183674.9081 -149369.8409 298.6732 -227.5552 -193.8923 557848.9110 11.8909 11.9515 PRESSURE: 451200 40.9468 63.1363 34.0447 63.1365 -61.0167 149.37 34.0436 149.369 105.372 GPRESSURE: 451200 54.169 -30.9158 19.2534 46.9863 -67.132 163.186 138.464 119.264 194.492 PRESSAVG: 451200 75.1777 -13.849 5.98453 -13.849 5.41791 0.400319 5.98446 0.400384 -98.5135 GPRESSAVG: 451200 73.1068 -14.331 4.74632 -12.429 6.64509 -1.24509 7.68859 2.75487 -97.6301 TIMING: 451200 CPU: 1334.68, 0.00293209/step Wall: 1334.68, 0.00293209/step, 3.70485 hours remaining, 205.003906 MB of memory in use. ENERGY: 451200 751.9638 2119.0270 1974.3268 119.3358 -206829.1814 18032.8919 0.0000 0.0000 34243.5916 -149588.0444 299.0578 -183831.6361 -149497.1578 298.8983 28.4340 60.5098 557071.4288 -5.9726 -5.9594 PRESSURE: 451400 161.792 56.6486 31.631 56.6482 2.71881 102.04 31.6308 102.04 168.065 GPRESSURE: 451400 246.783 8.43423 42.0248 160.877 15.8098 50.0408 37.3243 148.46 180.351 PRESSAVG: 451400 11.719 32.9986 26.8831 32.9985 -14.1928 -28.0719 26.8832 -28.072 -31.155 GPRESSAVG: 451400 12.5322 31.6474 25.9666 33.7349 -14.811 -28.2835 28.2582 -27.2099 -30.9935 TIMING: 451400 CPU: 1335.26, 0.00294106/step Wall: 1335.26, 0.00294106/step, 3.71603 hours remaining, 205.003906 MB of memory in use. ENERGY: 451400 725.8687 2093.1102 1936.5219 110.3897 -206689.4304 17948.6733 0.0000 0.0000 34165.8035 -149709.0631 298.3785 -183874.8666 -149614.7064 298.5070 110.8587 147.6482 556129.9009 -11.2096 -11.0908 PRESSURE: 451600 111.169 41.4231 -162.35 41.4219 60.4944 -80.4019 -162.349 -80.4018 119.801 GPRESSURE: 451600 98.6443 -33.9153 -173.055 95.7561 119.321 -27.5249 -118.949 -35.3791 157.424 PRESSAVG: 451600 91.9978 19.0121 31.3718 19.0121 -1.14275 -63.2198 31.3718 -63.2198 -52.6487 GPRESSAVG: 451600 91.4697 20.0596 31.5604 18.0829 -0.606568 -63.0491 31.0731 -63.7314 -52.3696 TIMING: 451600 CPU: 1335.85, 0.0029117/step Wall: 1335.85, 0.0029117/step, 3.67878 hours remaining, 205.003906 MB of memory in use. ENERGY: 451600 784.3979 2053.5418 1955.8468 108.0326 -206980.9516 18121.8175 0.0000 0.0000 34252.6075 -149704.7076 299.1365 -183957.3151 -149601.2554 297.8577 97.1548 125.1296 554692.3791 12.7354 12.8312 PRESSURE: 451800 -172.344 -22.6667 158.936 -22.6675 95.0671 -110.528 158.937 -110.528 303.746 GPRESSURE: 451800 -78.0498 -57.0219 114.248 -17.8267 91.4862 -117.859 280.553 -79.9775 320.222 PRESSAVG: 451800 25.7782 53.988 52.525 53.9881 -84.302 -45.9852 52.5249 -45.9852 29.8532 GPRESSAVG: 451800 26.866 55.9988 51.9643 54.4547 -84.6173 -46.0048 51.3753 -45.2803 28.9871 TIMING: 451800 CPU: 1336.43, 0.00294124/step Wall: 1336.43, 0.00294124/step, 3.71594 hours remaining, 205.003906 MB of memory in use. ENERGY: 451800 708.2282 2082.7858 1966.4484 117.4345 -206870.4909 17992.5302 0.0000 0.0000 34288.9422 -149714.1216 299.4539 -184003.0638 -149610.8779 298.7918 75.4899 111.2194 556065.2971 -9.5568 -9.5880 PRESSURE: 452000 107.299 -181.745 36.9682 -181.745 43.6116 -98.2834 36.9683 -98.2833 -37.5512 GPRESSURE: 452000 135.207 -176.088 59.6943 -119.998 52.8063 -57.9043 32.3417 -126.452 11.3443 PRESSAVG: 452000 40.9119 1.53734 42.8068 1.53734 -7.57885 23.2573 42.8069 23.2574 2.29968 GPRESSAVG: 452000 40.8492 1.04874 44.5706 2.29051 -6.79383 24.0179 42.5278 22.283 1.75214 TIMING: 452000 CPU: 1337.02, 0.00292167/step Wall: 1337.02, 0.00292167/step, 3.69104 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: 452000 760.1391 2153.8692 1933.4739 113.4843 -206647.7678 17936.6672 0.0000 0.0000 34181.6177 -149568.5164 298.5166 -183750.1341 -149476.3169 298.3055 37.7864 66.4526 558290.9828 11.8776 11.9358 PRESSURE: 452200 70.5933 -79.8877 -75.7511 -79.8878 33.651 -13.9269 -75.7517 -13.9307 154.893 GPRESSURE: 452200 120.648 -144.566 -100.68 -46.1948 111.281 -115.903 -110.507 39.5652 131.144 PRESSAVG: 452200 -7.50312 -82.6198 -13.5473 -82.6198 -29.6578 -13.0389 -13.5473 -13.0389 10.3329 GPRESSAVG: 452200 -6.79005 -83.9516 -15.0956 -82.5809 -30.5258 -12.7921 -12.5023 -13.3672 11.1611 TIMING: 452200 CPU: 1337.61, 0.00295288/step Wall: 1337.61, 0.00295288/step, 3.73031 hours remaining, 205.003906 MB of memory in use. ENERGY: 452200 749.9315 2148.6879 1952.5935 118.3688 -206424.2084 17919.4197 0.0000 0.0000 34111.6865 -149423.5206 297.9058 -183535.2070 -149329.7892 297.7724 86.3791 121.0242 557237.6134 -8.9427 -8.7182 LDB: ============= START OF LOAD BALANCING ============== 1341.03 LDB: ============== END OF LOAD BALANCING =============== 1341.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1341.04 LDB: ============= START OF LOAD BALANCING ============== 1341.33 LDB: Largest compute 4848 load 0.031440 is 26.7% of average load 0.117719 LDB: Average compute 0.001741 is 1.5% of average load 0.117719 LDB: TIME 1341.33 LOAD: AVG 0.117719 MAX 0.194037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.348 MB LDB: TIME 1341.33 LOAD: AVG 0.117719 MAX 0.194037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.348 MB LDB: TIME 1341.33 LOAD: AVG 0.117719 MAX 0.194037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1341.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1341.34 PRESSURE: 452400 -65.9189 -64.8693 70.2811 -64.8688 -125.274 85.3594 70.2813 85.3569 -47.037 GPRESSURE: 452400 -15.7735 -101.366 104.149 -59.1967 -47.6022 52.2348 105.294 2.57452 -69.4502 PRESSAVG: 452400 40.0839 -15.4967 60.55 -15.4966 -31.6596 -52.874 60.55 -52.8739 20.6153 GPRESSAVG: 452400 40.6685 -13.984 60.4789 -17.0835 -31.7523 -53.6959 58.0296 -51.9054 19.7935 TIMING: 452400 CPU: 1338.21, 0.00300337/step Wall: 1338.21, 0.00300337/step, 3.79392 hours remaining, 205.535156 MB of memory in use. ENERGY: 452400 733.0282 2142.8073 1946.4024 128.7258 -206530.0377 17837.0939 0.0000 0.0000 34183.7590 -149558.2212 298.5353 -183741.9802 -149459.4588 298.2823 -79.4101 -44.2753 556952.1693 9.6799 9.5699 PRESSURE: 452600 -38.022 43.3714 13.1524 43.3722 91.6121 44.6247 13.1524 44.6258 -200.085 GPRESSURE: 452600 -35.1419 15.1767 -63.2744 60.41 148.42 47.311 5.51631 34.2421 -166.937 PRESSAVG: 452600 -31.6647 6.51978 36.9363 6.51982 23.7348 -1.28812 36.9363 -1.28806 -14.62 GPRESSAVG: 452600 -32.2596 5.32306 37.175 6.87898 23.6045 -1.92464 40.2419 -2.34493 -13.9859 TIMING: 452600 CPU: 1338.8, 0.00295577/step Wall: 1338.8, 0.00295578/step, 3.73364 hours remaining, 205.738281 MB of memory in use. ENERGY: 452600 727.1441 2161.2769 1935.2561 109.3415 -206559.1822 17805.2116 0.0000 0.0000 34220.6419 -149600.3100 298.8574 -183820.9519 -149500.1077 298.8465 -48.8317 -17.8861 556711.4736 -7.5166 -7.5470 PRESSURE: 452800 -129.408 -5.43428 -25.4731 -5.43508 8.53319 -210.198 -25.472 -210.199 -9.77274 GPRESSURE: 452800 -90.6637 -60.0983 65.1779 27.9104 15.0994 -149.539 -50.1633 -213.033 49.5775 PRESSAVG: 452800 24.0364 4.31531 -2.50931 4.31531 59.0117 -24.0247 -2.50936 -24.0247 27.7448 GPRESSAVG: 452800 23.2777 3.77785 -2.53482 3.92838 58.9817 -24.1228 -5.46077 -22.9659 28.2895 TIMING: 452800 CPU: 1339.39, 0.00295082/step Wall: 1339.39, 0.00295082/step, 3.72722 hours remaining, 205.738281 MB of memory in use. ENERGY: 452800 772.1636 2100.8965 1950.4283 114.7551 -206621.3198 17857.8118 0.0000 0.0000 34410.0666 -149415.1978 300.5117 -183825.2645 -149318.8129 298.5872 -43.5493 -8.6623 557025.9238 36.9310 36.8496 PRESSURE: 453000 -102.226 -35.0175 116.626 -35.0183 -199.082 -12.6483 116.626 -12.6482 -287.11 GPRESSURE: 453000 -48.8678 -31.4706 158.92 1.31671 -157.837 -54.796 89.8304 -26.7463 -291.753 PRESSAVG: 453000 -1.4331 -0.410796 42.5587 -0.410876 16.6514 -16.9951 42.5586 -16.9951 -33.7541 GPRESSAVG: 453000 -0.849408 1.03204 43.5371 -0.684362 16.6432 -16.973 43.7373 -17.2547 -34.2732 TIMING: 453000 CPU: 1339.98, 0.00295691/step Wall: 1339.98, 0.00295691/step, 3.73474 hours remaining, 205.738281 MB of memory in use. ENERGY: 453000 750.7740 2110.7294 1955.7812 110.1159 -206039.0120 17459.8268 0.0000 0.0000 34230.0282 -149421.7565 298.9394 -183651.7847 -149320.2815 299.0725 -196.1394 -166.1528 558088.2168 -6.1786 -6.1598 PRESSURE: 453200 -79.9805 -31.2789 65.4933 -31.2794 -55.6131 -40.3507 65.4949 -40.3511 -58.8947 GPRESSURE: 453200 -89.3334 -42.6638 88.4751 -113.914 18.4055 0.509529 130.642 -23.7483 -32.9806 PRESSAVG: 453200 -77.9505 -18.1569 17.3976 -18.1569 99.6055 -46.276 17.3976 -46.2758 -4.94959 GPRESSAVG: 453200 -77.9316 -20.4364 16.6519 -14.8697 99.9694 -45.2997 19.0504 -44.7823 -5.44086 TIMING: 453200 CPU: 1340.58, 0.00297949/step Wall: 1340.58, 0.00297949/step, 3.76309 hours remaining, 205.738281 MB of memory in use. ENERGY: 453200 724.5619 2111.4692 1960.7769 106.9496 -206077.8288 17692.1354 0.0000 0.0000 34230.5724 -149251.3634 298.9441 -183481.9358 -149164.6028 299.2038 -64.8294 -34.6362 557527.8565 5.5685 5.5323 PRESSURE: 453400 301.325 46.6816 -26.4598 46.6825 300.901 -197.538 -26.4593 -197.541 -97.3802 GPRESSURE: 453400 350.367 40.9858 12.7856 32.8753 343.779 -239.864 -83.4211 -140.248 -94.228 PRESSAVG: 453400 44.8573 -21.7593 15.2036 -21.7593 -26.3364 -12.9884 15.2037 -12.9885 -44.3095 GPRESSAVG: 453400 43.935 -20.0103 16.1936 -24.1568 -26.5654 -13.9895 13.6842 -15.1934 -43.2439 TIMING: 453400 CPU: 1341.17, 0.00297712/step Wall: 1341.17, 0.00297712/step, 3.75993 hours remaining, 205.738281 MB of memory in use. ENERGY: 453400 718.6712 2085.5519 1964.9147 113.2342 -206750.8035 18164.0206 0.0000 0.0000 34183.0036 -149521.4074 298.5287 -183704.4110 -149421.4939 298.7350 168.2818 199.9724 557156.5253 -8.5962 -8.6247 PRESSURE: 453600 66.8781 47.4361 75.6876 47.4356 -13.2569 7.25118 75.6879 7.2514 317.638 GPRESSURE: 453600 69.8148 -28.7767 32.4861 41.0783 64.6437 -2.00685 138.489 17.0413 338.877 PRESSAVG: 453600 12.9842 -20.8384 17.3917 -20.8384 -65.2359 -4.3977 17.3916 -4.39781 26.5028 GPRESSAVG: 453600 13.5184 -20.7951 15.0948 -20.5061 -64.4135 -4.09192 18.8886 -2.08914 25.3342 TIMING: 453600 CPU: 1341.77, 0.00297438/step Wall: 1341.77, 0.00297438/step, 3.75632 hours remaining, 205.738281 MB of memory in use. ENERGY: 453600 725.1445 2094.4368 1925.3847 120.2925 -206813.6655 18099.8942 0.0000 0.0000 34404.8040 -149443.7087 300.4657 -183848.5128 -149347.3816 298.9293 123.7531 157.7785 558865.3831 -8.5830 -8.5203 PRESSURE: 453800 -144.401 76.8099 -84.31 76.8099 -237.418 -51.5944 -84.31 -51.5929 200.113 GPRESSURE: 453800 -36.7297 102.442 -114.767 47.4877 -232.917 3.48293 -40.8015 -119.725 174.576 PRESSAVG: 453800 -38.9054 -45.2053 20.9899 -45.2054 -88.6402 -78.896 20.9898 -78.8961 127.077 GPRESSAVG: 453800 -38.1042 -44.3582 21.5077 -45.4158 -90.1305 -77.7256 21.3141 -80.242 127.375 TIMING: 453800 CPU: 1342.36, 0.00296247/step Wall: 1342.36, 0.00296247/step, 3.74111 hours remaining, 205.738281 MB of memory in use. ENERGY: 453800 728.5509 2023.9806 1928.7076 123.8132 -206382.5728 17851.0223 0.0000 0.0000 34220.4509 -149506.0473 298.8557 -183726.4982 -149406.6579 298.7401 -60.5686 -31.6903 557106.1334 -0.1563 -0.2866 PRESSURE: 454000 -145.419 15.9137 -89.4 15.913 -247.736 173.614 -89.3991 173.614 -202.959 GPRESSURE: 454000 -134.767 5.49185 -98.3152 -58.5546 -238.892 169.032 -118.293 139.711 -139.794 PRESSAVG: 454000 -6.90011 6.46011 36.9184 6.46012 -17.0566 23.7114 36.9183 23.7114 -7.25798 GPRESSAVG: 454000 -7.06896 6.3967 37.6198 6.92966 -16.9311 23.5479 35.9996 21.1795 -7.23452 TIMING: 454000 CPU: 1342.96, 0.00297972/step Wall: 1342.96, 0.00297972/step, 3.76272 hours remaining, 205.738281 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: 454000 763.1497 2069.6096 1968.8796 101.6675 -205975.8057 17545.7302 0.0000 0.0000 34163.4575 -149363.3116 298.3580 -183526.7692 -149272.0571 298.6391 -198.7049 -171.1513 557735.9987 -10.4049 -10.4115 PRESSURE: 454200 51.4614 212.91 -128.623 212.91 91.6065 149.182 -128.622 149.183 -47.3472 GPRESSURE: 454200 67.6708 235.201 -129.572 157.688 126.298 91.1929 -117.559 175.691 9.14142 PRESSAVG: 454200 -4.58561 25.0148 16.9705 25.0148 14.6286 63.9428 16.9706 63.9428 47.5517 GPRESSAVG: 454200 -4.48387 25.8557 17.4892 23.0171 14.4629 62.6117 15.4777 65.3009 47.2624 TIMING: 454200 CPU: 1343.55, 0.00297794/step Wall: 1343.55, 0.00297794/step, 3.76032 hours remaining, 205.738281 MB of memory in use. ENERGY: 454200 768.7760 2037.0435 1919.4696 109.8298 -206088.8159 17913.7718 0.0000 0.0000 34212.7773 -149127.1479 298.7887 -183339.9251 -149036.7780 299.5086 31.9069 67.7035 559371.6330 19.1982 19.0805 PRESSURE: 454400 15.5374 121.545 -83.4521 121.544 60.531 -50.7677 -83.4518 -50.7686 80.75 GPRESSURE: 454400 104.502 112.501 -52.7581 38.552 53.7071 -86.7925 -35.1035 -153.72 101.194 PRESSAVG: 454400 10.3811 19.0641 -32.162 19.064 -24.0822 -35.685 -32.1619 -35.685 -46.476 GPRESSAVG: 454400 10.8789 18.1844 -31.1428 21.2873 -23.5508 -34.9893 -31.8806 -36.2859 -47.2372 TIMING: 454400 CPU: 1344.14, 0.00295236/step Wall: 1344.14, 0.00295236/step, 3.72784 hours remaining, 205.738281 MB of memory in use. ENERGY: 454400 758.8896 2037.2140 1955.1932 106.2091 -206120.3230 17923.8515 0.0000 0.0000 34164.2400 -149174.7256 298.3648 -183338.9656 -149076.3133 299.1622 52.2728 86.4678 557568.1635 -20.0590 -19.9697 PRESSURE: 454600 84.9536 83.0398 -119.647 83.0398 103.598 -40.5708 -119.647 -40.5723 273.682 GPRESSURE: 454600 85.1736 126.501 -100.737 74.203 151.794 -57.2386 -82.0517 -100.503 320.834 PRESSAVG: 454600 -5.07567 -17.6211 -44.2476 -17.621 14.7945 -16.0348 -44.2476 -16.0349 22.3625 GPRESSAVG: 454600 -6.33089 -19.0315 -45.9579 -16.2426 14.1893 -16.423 -44.2883 -14.3866 23.3529 TIMING: 454600 CPU: 1344.73, 0.00294741/step Wall: 1344.73, 0.00294741/step, 3.72143 hours remaining, 205.738281 MB of memory in use. ENERGY: 454600 797.7810 2070.4163 1985.2714 111.4491 -206308.4462 17995.8344 0.0000 0.0000 34220.8438 -149126.8502 298.8591 -183347.6940 -149034.5241 300.3163 154.0778 185.9338 555991.3253 10.6938 10.4038 PRESSURE: 454800 10.6482 53.3077 -148.693 53.3082 -129.377 -71.8641 -148.692 -71.8629 -101.622 GPRESSURE: 454800 53.6705 46.1934 -171.783 -17.2021 -53.2846 -135.508 -79.8796 -37.5879 -118.112 PRESSAVG: 454800 52.3419 -66.7502 -40.5533 -66.7501 -34.9248 15.6335 -40.5533 15.6336 -31.6324 GPRESSAVG: 454800 52.6187 -67.8316 -42.005 -67.9409 -33.9985 17.262 -40.3499 12.3857 -32.7527 TIMING: 454800 CPU: 1345.33, 0.00297115/step Wall: 1345.33, 0.00297115/step, 3.75124 hours remaining, 205.855469 MB of memory in use. ENERGY: 454800 769.0379 2038.1474 1941.4300 117.7560 -205823.1670 17646.0452 0.0000 0.0000 34269.4784 -149041.2721 299.2839 -183310.7505 -148945.2475 300.0356 -73.4503 -39.2421 557996.4553 -4.7384 -4.7108 PRESSURE: 455000 -192.904 -1.82647 -8.14902 -1.82714 28.3577 -144.137 -8.14898 -144.138 -195.093 GPRESSURE: 455000 -241.516 1.14464 -4.90999 18.3733 49.5802 -163.853 -12.1288 -71.3188 -69.9259 PRESSAVG: 455000 -0.36689 -21.15 -32.8167 -21.15 -19.1507 -54.4334 -32.8167 -54.4333 -5.00325 GPRESSAVG: 455000 -0.312213 -19.5634 -30.7662 -22.546 -20.6708 -55.4053 -34.4488 -52.053 -3.68903 TIMING: 455000 CPU: 1345.92, 0.0029535/step Wall: 1345.92, 0.0029535/step, 3.72879 hours remaining, 205.855469 MB of memory in use. ENERGY: 455000 744.2780 2123.6496 1956.2748 111.4965 -205944.1887 17479.1443 0.0000 0.0000 34413.1037 -149116.2418 300.5382 -183529.3455 -149020.0955 299.7894 -119.8798 -87.2872 556215.0420 -8.1736 -8.2240 PRESSURE: 455200 -278.52 24.121 135.926 24.1209 -0.0181409 -52.102 135.927 -52.0998 -86.2878 GPRESSURE: 455200 -225.985 -60.4883 180.985 15.8195 25.3692 -121.387 19.9478 2.28012 -83.4134 PRESSAVG: 455200 6.05898 -6.44781 30.4657 -6.44791 23.5337 -19.0336 30.4657 -19.0336 49.7331 GPRESSAVG: 455200 5.86678 -5.74692 31.2319 -5.432 23.6293 -19.5704 32.2989 -18.9394 49.2403 TIMING: 455200 CPU: 1346.51, 0.00295567/step Wall: 1346.51, 0.00295567/step, 3.73137 hours remaining, 205.855469 MB of memory in use. ENERGY: 455200 755.5812 2104.6496 1977.2410 103.6315 -206037.8120 17598.6024 0.0000 0.0000 34333.9005 -149164.2058 299.8465 -183498.1063 -149071.3007 299.1434 -121.6088 -94.6766 556771.3861 26.4419 26.2455 PRESSURE: 455400 -258.556 20.1525 -1.82541 20.1524 13.0416 14.6825 -1.82673 14.6821 -193.602 GPRESSURE: 455400 -254.874 -7.89921 2.00978 -9.32462 26.6677 25.4768 43.839 138.888 -113.641 PRESSAVG: 455400 -33.6045 -1.06814 22.6604 -1.06811 42.502 -1.68757 22.6603 -1.68755 -21.8295 GPRESSAVG: 455400 -34.4671 -1.25452 21.7521 -2.17414 43.9578 -0.256675 21.9359 -1.20363 -22.2575 TIMING: 455400 CPU: 1347.1, 0.00296349/step Wall: 1347.1, 0.00296349/step, 3.74108 hours remaining, 205.855469 MB of memory in use. ENERGY: 455400 718.2240 2102.5119 1940.5870 103.3221 -205881.7849 17483.7712 0.0000 0.0000 34381.0503 -149152.3183 300.2583 -183533.3687 -149047.0953 299.6086 -146.3722 -113.9490 557984.2419 -4.3107 -4.2556 PRESSURE: 455600 -35.0741 115.638 -129.426 115.639 65.6211 48.4679 -129.426 48.4678 168.241 GPRESSURE: 455600 29.9837 123.828 -209.101 61.3964 67.0522 47.3915 -58.9647 69.3576 191.999 PRESSAVG: 455600 -39.4844 13.4202 36.7896 13.4202 29.8723 21.6075 36.7896 21.6075 -3.93387 GPRESSAVG: 455600 -38.8985 14.5315 38.6799 12.9804 29.9029 24.3199 35.0193 19.8834 -4.45466 TIMING: 455600 CPU: 1347.69, 0.00295999/step Wall: 1347.69, 0.00295999/step, 3.73649 hours remaining, 205.855469 MB of memory in use. ENERGY: 455600 739.3047 2104.3274 1924.9269 106.2319 -206161.3782 17713.5848 0.0000 0.0000 34318.5402 -149254.4623 299.7123 -183573.0025 -149160.7162 299.4191 66.2625 96.3451 556562.6222 -4.5153 -4.4834 PRESSURE: 455800 -81.8971 113.334 50.1294 113.333 378.738 70.0198 50.129 70.021 -214.946 GPRESSURE: 455800 -95.7248 194.663 27.6071 55.6062 405.215 74.1283 78.8663 49.0796 -132.504 PRESSAVG: 455800 4.34653 70.3754 13.535 70.3755 27.759 49.8076 13.535 49.8076 -12.1499 GPRESSAVG: 455800 4.05813 67.8447 11.5108 74.0921 27.1303 46.0675 14.8342 49.7837 -10.7479 TIMING: 455800 CPU: 1348.28, 0.00293254/step Wall: 1348.28, 0.00293254/step, 3.70169 hours remaining, 205.855469 MB of memory in use. ENERGY: 455800 744.5335 2087.1635 1956.0967 113.4676 -206428.3226 17801.8897 0.0000 0.0000 34443.8831 -149281.2885 300.8070 -183725.1716 -149184.2066 299.3814 27.2981 58.9955 556126.5774 6.6519 6.8135 PRESSURE: 456000 -18.7959 44.2008 128.457 44.2003 30.8844 20.3327 128.458 20.3331 -84.1448 GPRESSURE: 456000 18.2921 1.41821 170.23 46.8125 28.6081 31.2671 44.9106 -13.5959 -17.7151 PRESSAVG: 456000 47.7471 1.34475 31.402 1.34476 34.7185 -25.167 31.4019 -25.167 -81.314 GPRESSAVG: 456000 48.3757 3.88885 30.6076 -2.39349 33.4633 -24.4906 32.1766 -23.337 -81.1887 TIMING: 456000 CPU: 1348.87, 0.00293448/step Wall: 1348.87, 0.00293448/step, 3.70397 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: 456000 730.8584 2080.6787 1946.0044 136.9981 -206557.1543 17842.7976 0.0000 0.0000 34349.4368 -149470.3802 299.9822 -183819.8171 -149370.8025 299.5028 -24.0188 9.7283 556928.8007 0.3839 0.2168 PRESSURE: 456200 221.795 -26.3742 -31.5474 -26.3742 110.28 38.1724 -31.5485 38.1712 192.031 GPRESSURE: 456200 233.981 -53.7182 -13.0763 70.5071 155.067 14.5959 -86.3555 102.517 226.894 PRESSAVG: 456200 32.2258 5.0036 -3.95509 5.00361 -12.5323 -0.491674 -3.95508 -0.491767 -14.9634 GPRESSAVG: 456200 32.0609 4.5115 -3.2864 4.11039 -11.8153 0.406317 -3.86032 -0.174758 -15.7064 TIMING: 456200 CPU: 1349.45, 0.00293823/step Wall: 1349.45, 0.00293823/step, 3.70854 hours remaining, 205.855469 MB of memory in use. ENERGY: 456200 737.9099 2091.0907 1949.4536 120.1768 -206659.8813 18172.0136 0.0000 0.0000 34328.1275 -149261.1091 299.7961 -183589.2367 -149170.8985 298.9621 174.7019 205.3139 557704.0222 1.5767 1.5131 LDB: ============= START OF LOAD BALANCING ============== 1352.88 LDB: ============== END OF LOAD BALANCING =============== 1352.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1352.88 LDB: ============= START OF LOAD BALANCING ============== 1353.18 LDB: Largest compute 4848 load 0.032193 is 27.3% of average load 0.117786 LDB: Average compute 0.001738 is 1.5% of average load 0.117786 LDB: TIME 1353.18 LOAD: AVG 0.117786 MAX 0.194611 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.648 MB LDB: TIME 1353.18 LOAD: AVG 0.117786 MAX 0.194611 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.848 MB LDB: TIME 1353.18 LOAD: AVG 0.117786 MAX 0.194611 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.848 MB LDB: ============== END OF LOAD BALANCING =============== 1353.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1353.18 PRESSURE: 456400 -75.6136 152.729 -30.7058 152.73 -30.2373 61.0359 -30.7068 61.0355 -258.904 GPRESSURE: 456400 -106.536 193.657 -73.7202 122.088 31.0219 93.2311 -34.3081 66.207 -189.23 PRESSAVG: 456400 13.0781 35.8905 36.779 35.8905 -31.8446 37.2049 36.779 37.2048 -6.91219 GPRESSAVG: 456400 13.3485 36.5688 37.5926 36.9632 -31.9847 35.7611 35.4649 38.6086 -7.26397 TIMING: 456400 CPU: 1350.05, 0.00299591/step Wall: 1350.05, 0.00299591/step, 3.78118 hours remaining, 205.480469 MB of memory in use. ENERGY: 456400 755.8483 2082.2890 1928.3679 114.0707 -206108.6855 17714.2013 0.0000 0.0000 34301.4968 -149212.4114 299.5635 -183513.9082 -149116.9603 299.2259 -121.5851 -88.2482 558135.8937 -8.5596 -8.6334 PRESSURE: 456600 130.963 130.996 -89.614 130.995 27.4032 115.028 -89.6134 115.028 -210.841 GPRESSURE: 456600 182.175 148.517 -24.7313 105.399 59.395 122.325 -87.4415 64.3803 -182.41 PRESSAVG: 456600 47.177 4.15597 17.9447 4.15595 72.3973 -31.2955 17.9447 -31.2955 -78.3438 GPRESSAVG: 456600 46.5615 2.35935 19.0631 6.34484 72.7065 -28.7477 18.7057 -34.8329 -78.6589 TIMING: 456600 CPU: 1350.64, 0.00295102/step Wall: 1350.64, 0.00295102/step, 3.72435 hours remaining, 205.621094 MB of memory in use. ENERGY: 456600 762.2761 2049.1625 1918.3506 121.1768 -206016.6952 17845.6444 0.0000 0.0000 34194.1708 -149125.9140 298.6262 -183320.0848 -149032.8083 299.3341 -17.4914 19.7200 558046.7742 13.7435 13.5364 PRESSURE: 456800 -261.127 110.984 55.5744 110.984 -222.782 23.324 55.5732 23.3247 -184.583 GPRESSURE: 456800 -204.066 162.108 86.3125 90.9948 -225.769 43.011 -6.62707 4.25295 -136.006 PRESSAVG: 456800 -40.3471 -52.3041 6.19801 -52.3041 37.5131 -37.3787 6.19793 -37.3787 -39.3894 GPRESSAVG: 456800 -39.4424 -49.9821 5.67583 -55.8197 36.0614 -39.9535 4.91195 -32.2883 -39.5238 TIMING: 456800 CPU: 1351.23, 0.00295044/step Wall: 1351.23, 0.00295044/step, 3.72346 hours remaining, 205.820312 MB of memory in use. ENERGY: 456800 797.6683 2102.6232 1948.4579 101.5395 -205879.6870 17653.7258 0.0000 0.0000 34172.7276 -149102.9447 298.4389 -183275.6723 -149010.6615 299.2971 -222.8309 -188.6137 558945.9794 -14.0745 -14.3016 PRESSURE: 457000 -156.563 95.2511 -39.0741 95.2511 257.872 -103.625 -39.0747 -103.626 168.368 GPRESSURE: 457000 -101.779 60.4962 -101.942 91.8364 239.272 -120.693 -29.2323 -134.728 213.697 PRESSAVG: 457000 7.09549 -72.4933 43.8635 -72.4933 40.3778 10.127 43.8635 10.127 -19.0972 GPRESSAVG: 457000 5.8435 -74.8503 43.0401 -71.3692 41.0615 10.5298 46.9774 7.01192 -18.8069 TIMING: 457000 CPU: 1351.83, 0.0029637/step Wall: 1351.83, 0.0029637/step, 3.74003 hours remaining, 205.820312 MB of memory in use. ENERGY: 457000 779.1897 2099.7293 1946.3672 119.8036 -206508.1451 18195.8755 0.0000 0.0000 34204.5321 -149162.6477 298.7167 -183367.1798 -149065.8401 299.3883 89.8923 117.0633 558856.8773 9.4587 9.3660 PRESSURE: 457200 -237.009 90.6583 1.08857 90.6574 19.3788 119.703 1.08801 119.704 -80.6466 GPRESSURE: 457200 -194.007 122.438 -88.7822 104.205 40.4043 84.6859 -5.6955 138.339 -51.8969 PRESSAVG: 457200 -30.2873 12.8478 -44.8812 12.8479 63.6688 -11.3307 -44.8812 -11.3308 28.8885 GPRESSAVG: 457200 -30.5404 15.5937 -43.9272 10.5865 64.0091 -10.275 -45.8291 -10.9445 28.4252 TIMING: 457200 CPU: 1352.42, 0.00295293/step Wall: 1352.42, 0.00295293/step, 3.72627 hours remaining, 205.820312 MB of memory in use. ENERGY: 457200 786.2873 2074.8206 1937.0267 119.6564 -206338.3668 17767.8981 0.0000 0.0000 34316.4366 -149336.2411 299.6940 -183652.6777 -149236.7114 299.5010 -99.4256 -68.4999 557413.7829 20.7566 20.6313 PRESSURE: 457400 13.1862 -33.7796 -117.813 -33.7783 299.307 -11.9817 -117.813 -11.9827 -103.597 GPRESSURE: 457400 90.0877 -47.7743 -66.4787 29.9602 317.695 60.7644 -257.649 -34.4459 -103.746 PRESSAVG: 457400 -13.207 35.3121 -50.5025 35.3122 24.2016 -18.5785 -50.5025 -18.5785 -56.0302 GPRESSAVG: 457400 -13.503 33.2379 -51.7212 35.2885 23.9112 -19.3851 -50.598 -19.5229 -55.1368 TIMING: 457400 CPU: 1353.01, 0.00296107/step Wall: 1353.01, 0.00296107/step, 3.73637 hours remaining, 205.820312 MB of memory in use. ENERGY: 457400 764.1264 2078.8822 1970.7333 118.5795 -206495.7722 18066.8592 0.0000 0.0000 34429.4685 -149067.1230 300.6811 -183496.5916 -148971.8210 299.6731 69.6319 101.3457 558128.6514 -15.0119 -14.9095 PRESSURE: 457600 -113.381 107.771 158.637 107.771 -328.99 -77.0582 158.638 -77.0589 19.8161 GPRESSURE: 457600 -60.6074 207.243 73.9628 66.9197 -313.169 -23.2887 155.922 -20.9498 54.7694 PRESSAVG: 457600 42.9896 2.22152 35.1252 2.22153 -27.6377 -22.1394 35.1254 -22.1394 8.89511 GPRESSAVG: 457600 43.677 1.51115 35.0359 1.61305 -28.3159 -21.7763 36.2786 -20.2977 8.346 TIMING: 457600 CPU: 1353.6, 0.00295389/step Wall: 1353.6, 0.00295389/step, 3.72715 hours remaining, 205.820312 MB of memory in use. ENERGY: 457600 795.9503 2045.4071 1906.9842 115.0978 -206030.5946 17754.4020 0.0000 0.0000 34272.9565 -149139.7967 299.3143 -183412.7532 -149045.6747 299.7186 -140.8516 -106.3357 556792.3022 8.0823 7.9024 PRESSURE: 457800 1.37289 32.9511 20.9677 32.9504 -282.929 41.8102 20.9679 41.8103 -220.766 GPRESSURE: 457800 18.7315 30.0446 12.5881 18.7299 -224.943 3.72189 -7.59977 68.1365 -209.006 PRESSAVG: 457800 49.3193 40.7211 47.3594 40.7212 -75.7721 -15.8434 47.3595 -15.8435 11.9919 GPRESSAVG: 457800 49.2865 40.5678 47.0065 42.4711 -75.7258 -16.2589 47.5806 -18.0667 11.8514 TIMING: 457800 CPU: 1354.19, 0.00293624/step Wall: 1354.19, 0.00293624/step, 3.70472 hours remaining, 205.820312 MB of memory in use. ENERGY: 457800 766.1322 2126.8816 1925.7479 119.1832 -206023.3002 17626.3410 0.0000 0.0000 34249.8748 -149209.1394 299.1127 -183459.0143 -149117.2923 299.5021 -167.4406 -138.4057 557862.5744 -4.8203 -4.8626 PRESSURE: 458000 -178.202 70.7653 26.6743 70.766 -154.814 -150.054 26.6731 -150.053 138.611 GPRESSURE: 458000 -182.185 87.1952 45.0789 144.431 -139.704 -151.258 63.756 -139.606 198.245 PRESSAVG: 458000 81.1512 -41.0478 -54.3137 -41.0478 -47.968 -64.8372 -54.3136 -64.8372 -22.3288 GPRESSAVG: 458000 82.3047 -40.8602 -53.3666 -38.2004 -48.0055 -63.2762 -55.9431 -65.2269 -23.4569 TIMING: 458000 CPU: 1354.78, 0.00294541/step Wall: 1354.78, 0.00294541/step, 3.71613 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: 458000 783.6130 2097.1679 1932.7622 111.8407 -206131.6330 17777.8186 0.0000 0.0000 34192.2975 -149236.1329 298.6098 -183428.4305 -149140.8353 299.3166 -64.8013 -41.2146 558337.8336 3.6182 3.6141 PRESSURE: 458200 -166.461 -104.452 -112.74 -104.452 -62.6596 -19.8858 -112.74 -19.8845 -179.027 GPRESSURE: 458200 -162.76 -96.535 -164.746 -177.079 -51.9615 38.7205 -112.026 -38.2929 -99.2145 PRESSAVG: 458200 -15.6745 -60.1669 -62.4729 -60.1669 -41.5736 -11.229 -62.473 -11.2289 106.286 GPRESSAVG: 458200 -17.763 -59.2965 -61.5589 -62.8381 -41.169 -12.5258 -63.4728 -9.8965 108.002 TIMING: 458200 CPU: 1355.37, 0.00296797/step Wall: 1355.37, 0.00296797/step, 3.74442 hours remaining, 205.820312 MB of memory in use. ENERGY: 458200 745.6873 2071.9302 1963.0611 116.5052 -206206.6991 17770.0654 0.0000 0.0000 34257.7408 -149281.7090 299.1814 -183539.4499 -149181.7256 298.8479 -136.0492 -104.6453 558343.0537 16.3459 16.3568 PRESSURE: 458400 -73.154 -47.3494 -4.75089 -47.3483 182.604 -114.69 -4.75004 -114.69 156.866 GPRESSURE: 458400 -26.9609 0.633492 -12.1846 -53.7556 208.166 -209.961 21.7254 -70.9496 181.756 PRESSAVG: 458400 -36.974 -35.1411 -19.1064 -35.1411 30.0174 7.06791 -19.1065 7.06792 55.3163 GPRESSAVG: 458400 -34.7914 -35.6978 -20.681 -34.1643 29.5119 5.05812 -17.406 8.39728 53.6227 TIMING: 458400 CPU: 1355.97, 0.00297292/step Wall: 1355.97, 0.00297292/step, 3.75051 hours remaining, 205.820312 MB of memory in use. ENERGY: 458400 747.2044 2069.1217 1959.8727 126.4657 -206432.3342 17832.5986 0.0000 0.0000 34358.9815 -149338.0898 300.0655 -183697.0712 -149240.9411 299.1710 88.7720 120.9870 556289.3429 16.1199 16.1144 PRESSURE: 458600 -75.2934 54.9011 -90.7084 54.901 162.628 153.45 -90.7081 153.45 53.2937 GPRESSURE: 458600 -27.6944 30.2262 -6.7782 55.7632 230.622 145.959 -24.9885 124.138 38.0734 PRESSAVG: 458600 -64.5532 -15.0218 -26.1733 -15.0219 -9.09171 5.87366 -26.1734 5.87372 58.1546 GPRESSAVG: 458600 -65.4728 -12.3864 -24.8543 -17.2711 -8.63618 8.14023 -27.0128 3.85469 58.9237 TIMING: 458600 CPU: 1356.56, 0.00298825/step Wall: 1356.56, 0.00298825/step, 3.76968 hours remaining, 205.820312 MB of memory in use. ENERGY: 458600 732.6913 2093.4370 1941.8650 117.7612 -206288.9282 17981.3904 0.0000 0.0000 34034.8179 -149386.9654 297.2345 -183421.7833 -149295.3929 298.5720 46.8762 80.3335 556983.0687 -5.1635 -5.0618 PRESSURE: 458800 -58.8011 -243.917 -134.129 -243.916 6.25506 -21.1256 -134.13 -21.1246 104.4 GPRESSURE: 458800 -44.712 -191.29 -122.909 -258.798 29.229 -19.0189 -150.229 33.3204 166.865 PRESSAVG: 458800 -3.57633 -57.4495 -19.752 -57.4495 43.8212 50.6234 -19.752 50.6233 -9.31544 GPRESSAVG: 458800 -4.12755 -60.8565 -20.4756 -54.5115 44.1193 51.7451 -20.4168 50.9166 -9.42174 TIMING: 458800 CPU: 1357.16, 0.00298164/step Wall: 1357.16, 0.00298164/step, 3.76117 hours remaining, 205.820312 MB of memory in use. ENERGY: 458800 757.9929 2041.3404 1919.3475 108.4071 -206370.1466 17844.2741 0.0000 0.0000 34127.1787 -149571.6058 298.0411 -183698.7845 -149478.8792 298.4131 17.2846 50.4607 557025.4215 10.3098 10.1900 PRESSURE: 459000 70.2595 58.601 119.118 58.6012 25.328 113.604 119.117 113.603 -80.3232 GPRESSURE: 459000 110.84 45.8931 87.0713 37.2216 73.7418 -3.12423 129.072 185.794 -80.1359 PRESSAVG: 459000 -8.64205 -18.7745 58.9453 -18.7744 -41.5459 24.8044 58.9453 24.8045 51.4735 GPRESSAVG: 459000 -7.98322 -18.0859 58.4239 -19.8039 -42.832 23.6141 60.2172 24.3643 51.818 TIMING: 459000 CPU: 1357.75, 0.00297396/step Wall: 1357.75, 0.00297396/step, 3.75132 hours remaining, 205.820312 MB of memory in use. ENERGY: 459000 762.4423 2076.2779 1945.0095 116.1873 -206696.2594 18011.3782 0.0000 0.0000 34196.3764 -149588.5879 298.6455 -183784.9643 -149488.5732 298.0620 5.0881 34.8154 558060.2754 0.4285 0.3342 PRESSURE: 459200 45.7288 -47.2198 19.0287 -47.2202 -112.456 -42.4981 19.0296 -42.4992 250.918 GPRESSURE: 459200 97.7675 -83.4464 -6.63857 -66.7812 -75.6364 64.5335 62.6299 -71.9311 250.344 PRESSAVG: 459200 -41.7109 -8.66773 6.34728 -8.66776 -10.8633 4.89988 6.34732 4.89977 63.1716 GPRESSAVG: 459200 -42.1944 -8.59204 8.72859 -9.161 -10.4696 5.01877 4.68126 6.61379 62.9878 TIMING: 459200 CPU: 1358.35, 0.002971/step Wall: 1358.35, 0.002971/step, 3.74742 hours remaining, 205.820312 MB of memory in use. ENERGY: 459200 771.4919 2053.3987 1953.5335 117.8337 -206826.2334 18072.9385 0.0000 0.0000 34261.1420 -149595.8951 299.2111 -183857.0372 -149503.3595 298.2398 61.3967 90.8250 557679.3325 3.5325 3.4412 PRESSURE: 459400 143.448 210.551 -67.4538 210.55 -101.037 -38.0663 -67.4541 -38.0676 -130.331 GPRESSURE: 459400 149.881 305.336 -62.9152 216.505 -50.4302 -17.6102 -83.0286 -27.0889 -91.9437 PRESSAVG: 459400 -32.4961 28.6071 -26.1672 28.6071 4.39401 -22.6174 -26.1672 -22.6175 42.8959 GPRESSAVG: 459400 -32.7311 29.1544 -29.3866 28.3797 3.86567 -22.0241 -23.7848 -24.8355 43.1901 TIMING: 459400 CPU: 1358.94, 0.00295426/step Wall: 1358.94, 0.00295426/step, 3.72614 hours remaining, 205.820312 MB of memory in use. ENERGY: 459400 767.0452 2104.0294 1933.9446 106.6372 -206507.4779 17713.5014 0.0000 0.0000 34305.3522 -149576.9677 299.5972 -183882.3200 -149486.1466 298.1558 -29.3067 2.5023 557449.3677 4.9313 4.7749 PRESSURE: 459600 -89.4476 -83.1979 102.458 -83.1979 -120.228 63.2966 102.458 63.296 21.0051 GPRESSURE: 459600 -7.69828 -53.8835 83.7426 -119.3 -91.8512 6.85798 14.1636 105.33 12.3528 PRESSAVG: 459600 44.1472 -3.57647 -60.9953 -3.5765 -30.8245 -26.6414 -60.9954 -26.6413 11.4166 GPRESSAVG: 459600 44.5081 -4.59375 -60.0481 -3.95638 -30.8141 -27.3264 -64.2653 -25.5377 11.3527 TIMING: 459600 CPU: 1359.53, 0.0029494/step Wall: 1359.53, 0.0029494/step, 3.71985 hours remaining, 205.957031 MB of memory in use. ENERGY: 459600 785.8324 2109.0223 1944.4176 106.5180 -206426.4326 17841.4049 0.0000 0.0000 34016.9706 -149622.2669 297.0787 -183639.2375 -149523.5197 298.0562 -62.8902 -29.0656 556765.9475 8.2464 8.3489 PRESSURE: 459800 101.635 16.3158 -81.8923 16.3151 -16.6143 -14.2854 -81.8926 -14.2849 -80.3566 GPRESSURE: 459800 112.261 37.5106 -161.425 33.6398 70.6634 33.0167 -124.973 -111.053 -82.5381 PRESSAVG: 459800 3.63784 -15.0563 -11.6577 -15.0563 -5.925 -10.3877 -11.6578 -10.3878 1.60797 GPRESSAVG: 459800 4.11542 -13.6959 -10.4523 -14.5965 -5.45716 -9.72816 -11.0633 -12.0438 1.50701 TIMING: 459800 CPU: 1360.12, 0.00296518/step Wall: 1360.12, 0.00296518/step, 3.73958 hours remaining, 205.957031 MB of memory in use. ENERGY: 459800 728.6052 2086.1665 1936.6897 125.2533 -206110.2342 17653.5716 0.0000 0.0000 33848.8669 -149731.0811 295.6106 -183579.9479 -149638.4113 297.5109 1.5548 33.4621 556713.3395 -0.2264 0.0551 PRESSURE: 460000 -284.179 -27.2963 20.3399 -27.2966 -34.9955 47.1191 20.3399 47.1185 -219.196 GPRESSURE: 460000 -255.808 9.70985 34.8815 -41.871 -5.57749 14.0174 90.555 120.875 -187.721 PRESSAVG: 460000 -29.1865 -6.32766 -13.5917 -6.32763 35.3296 -5.11541 -13.5916 -5.11543 18.6004 GPRESSAVG: 460000 -30.6006 -6.03823 -13.4684 -6.30043 35.7622 -5.73232 -11.5807 -2.9948 19.5125 TIMING: 460000 CPU: 1360.72, 0.00298232/step Wall: 1360.72, 0.00298232/step, 3.76104 hours remaining, 205.957031 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: 460000 754.9557 2106.4510 1961.1369 119.8598 -206220.6131 17501.7590 0.0000 0.0000 34079.8773 -149696.5734 297.6280 -183776.4506 -149591.0889 297.9680 -179.4571 -149.7020 557757.0493 8.2478 8.2247 PRESSURE: 460200 -46.082 -25.5761 -48.0656 -25.5764 -179.377 33.1918 -48.0663 33.1899 19.9578 GPRESSURE: 460200 -39.9391 9.15577 -83.9565 -18.5251 -71.7384 44.6374 9.88837 9.76364 -5.5868 PRESSAVG: 460200 -31.8915 -7.87043 54.0611 -7.8705 -0.0426721 -33.3755 54.0612 -33.3756 9.0043 GPRESSAVG: 460200 -31.9498 -5.84335 52.3947 -7.9018 0.704041 -32.5338 52.4585 -34.2625 8.32842 TIMING: 460200 CPU: 1361.31, 0.00297639/step Wall: 1361.31, 0.00297639/step, 3.75339 hours remaining, 205.957031 MB of memory in use. ENERGY: 460200 731.0605 2115.6816 1927.7398 122.8376 -206518.5927 17814.0143 0.0000 0.0000 34170.8429 -149636.4159 298.4225 -183807.2589 -149531.0218 298.0071 -68.5002 -39.0881 557496.3139 -7.6433 -7.6391 LDB: ============= START OF LOAD BALANCING ============== 1364.74 LDB: ============== END OF LOAD BALANCING =============== 1364.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1364.74 LDB: ============= START OF LOAD BALANCING ============== 1365.04 LDB: Largest compute 4848 load 0.030682 is 26.0% of average load 0.117814 LDB: Average compute 0.001732 is 1.5% of average load 0.117814 LDB: TIME 1365.04 LOAD: AVG 0.117814 MAX 0.199304 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.422 MB LDB: TIME 1365.04 LOAD: AVG 0.117814 MAX 0.199304 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.461 MB LDB: TIME 1365.04 LOAD: AVG 0.117814 MAX 0.199304 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.461 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1365.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1365.05 PRESSURE: 460400 -144.736 -116.87 -18.2239 -116.87 -180.293 121.579 -18.2241 121.578 -174.541 GPRESSURE: 460400 -122.864 -119.683 9.02566 -105.096 -153.153 108.619 -2.61215 31.4783 -116.381 PRESSAVG: 460400 -4.02041 61.3476 49.4905 61.3477 16.0979 14.8077 49.4905 14.8078 20.1524 GPRESSAVG: 460400 -2.77469 57.6473 51.7998 63.1021 14.5678 13.4315 48.6154 13.7895 20.5252 TIMING: 460400 CPU: 1361.92, 0.00302373/step Wall: 1361.92, 0.00302373/step, 3.81293 hours remaining, 204.242188 MB of memory in use. ENERGY: 460400 788.3045 2104.2611 1950.1220 117.4224 -206196.2773 17556.9825 0.0000 0.0000 34008.1288 -149671.0560 297.0014 -183679.1848 -149569.5579 297.6206 -166.5233 -130.7997 555811.0030 10.7433 10.7728 PRESSURE: 460600 -96.0312 48.6026 2.66726 48.6031 193.806 170.683 2.66745 170.683 147.905 GPRESSURE: 460600 -16.9117 6.63712 31.2348 84.6233 277.309 196.959 -44.9622 171.905 88.6378 PRESSAVG: 460600 -2.19917 42.8335 76.9088 42.8335 -4.66322 107.511 76.9089 107.511 -6.0738 GPRESSAVG: 460600 -3.53135 42.3941 76.0586 44.0647 -3.5885 107.076 78.6473 110.158 -5.9618 TIMING: 460600 CPU: 1362.51, 0.0029707/step Wall: 1362.51, 0.0029707/step, 3.74588 hours remaining, 204.242188 MB of memory in use. ENERGY: 460600 735.3156 2079.4031 1959.3446 95.9318 -206537.5662 17926.9645 0.0000 0.0000 34123.0452 -149617.5613 298.0050 -183740.6065 -149518.5988 297.5229 81.8935 116.3450 555431.2958 -4.3121 -4.3606 PRESSURE: 460800 97.3568 -3.98357 22.2285 -3.98481 269.846 -55.5111 22.2283 -55.5099 260.032 GPRESSURE: 460800 158.026 16.4876 78.9127 -80.6614 288.847 -51.9419 -18.2533 -85.2754 284.992 PRESSAVG: 460800 52.7932 -37.6569 66.5388 -37.657 -30.0405 22.7876 66.5389 22.7875 2.43474 GPRESSAVG: 460800 53.3215 -36.1009 66.2868 -40.7519 -29.5908 23.8647 66.6803 19.9506 0.985758 TIMING: 460800 CPU: 1363.1, 0.00295898/step Wall: 1363.1, 0.00295898/step, 3.73095 hours remaining, 204.242188 MB of memory in use. ENERGY: 460800 726.1176 2143.1630 1950.8617 112.4728 -206851.8620 18209.0741 0.0000 0.0000 34293.9864 -149416.1863 299.4979 -183710.1727 -149323.3284 298.3313 209.0785 243.9552 556217.8115 8.3958 8.2388 PRESSURE: 461000 18.3783 6.64419 -152.098 6.64453 201.158 41.6569 -152.098 41.6557 112.579 GPRESSURE: 461000 74.991 61.6531 -67.5505 -39.8607 165.212 89.1911 -105.789 56.9839 187.045 PRESSAVG: 461000 -59.4417 -43.5176 18.818 -43.5176 49.8313 60.7462 18.8181 60.746 -1.82716 GPRESSAVG: 461000 -59.5152 -45.2849 18.0649 -41.7659 48.5395 61.1361 18.2785 60.7008 0.0959381 TIMING: 461000 CPU: 1363.7, 0.00295555/step Wall: 1363.7, 0.00295555/step, 3.72646 hours remaining, 204.445312 MB of memory in use. ENERGY: 461000 718.9879 2103.8662 1957.6436 116.0244 -206352.1918 17894.8054 0.0000 0.0000 34212.3142 -149348.5502 298.7846 -183560.8644 -149252.6893 298.6205 110.7049 142.4160 556256.1551 -3.8125 -3.6266 PRESSURE: 461200 -104.402 -70.528 21.226 -70.5286 147.821 -60.0714 21.226 -60.069 62.1429 GPRESSURE: 461200 -45.1837 61.9914 -20.8151 -145.896 179.146 -71.1872 121.519 -93.6811 61.252 PRESSAVG: 461200 3.40503 37.4409 -4.33651 37.4408 34.6784 58.9558 -4.33651 58.9558 -11.068 GPRESSAVG: 461200 3.87934 40.2783 -4.08291 35.8161 35.692 58.8007 -3.5542 60.4784 -12.1616 TIMING: 461200 CPU: 1364.29, 0.00296729/step Wall: 1364.29, 0.00296729/step, 3.7411 hours remaining, 204.445312 MB of memory in use. ENERGY: 461200 734.2872 2120.5689 1943.4562 107.2865 -206358.3579 17950.2253 0.0000 0.0000 34373.2143 -149129.3195 300.1898 -183502.5337 -149024.1877 299.0428 35.1875 65.0715 557810.3957 9.0051 9.1366 PRESSURE: 461400 -16.2273 117.018 41.4781 117.018 83.318 30.7588 41.4776 30.7589 91.1831 GPRESSURE: 461400 8.91637 111.452 17.1463 173.075 121.979 -36.1444 -23.6618 127.431 133.546 PRESSAVG: 461400 -0.826812 -1.93938 -16.7142 -1.93945 -42.1328 84.1446 -16.7142 84.1445 -27.716 GPRESSAVG: 461400 -2.62406 -4.4355 -14.8108 0.0319251 -42.349 85.3586 -17.8973 83.0675 -25.5575 TIMING: 461400 CPU: 1364.88, 0.00294618/step Wall: 1364.88, 0.00294618/step, 3.71431 hours remaining, 204.445312 MB of memory in use. ENERGY: 461400 771.7422 2108.2076 1978.7556 115.7922 -206162.5661 17888.9368 0.0000 0.0000 34276.2726 -149022.8591 299.3432 -183299.1317 -148933.2334 299.4009 52.7579 88.1471 557564.8104 -23.5585 -23.5102 PRESSURE: 461600 32.4411 115.624 -58.631 115.622 57.2886 -86.4481 -58.6313 -86.4478 206.716 GPRESSURE: 461600 111.049 -15.0094 -41.0278 228.719 75.5132 -90.9232 -49.5512 -101.221 208.716 PRESSAVG: 461600 -35.46 2.87638 -12.9984 2.87626 81.5544 -10.7897 -12.9984 -10.7898 26.2578 GPRESSAVG: 461600 -34.1912 3.62141 -14.6232 3.33597 81.8691 -11.2798 -11.8911 -9.97247 25.3073 TIMING: 461600 CPU: 1365.47, 0.00295954/step Wall: 1365.47, 0.00295954/step, 3.73099 hours remaining, 204.445312 MB of memory in use. ENERGY: 461600 741.5448 2087.4823 1972.7921 111.8815 -205971.9576 17783.6856 0.0000 0.0000 34270.0829 -149004.4882 299.2892 -183274.5712 -148907.9002 299.1323 98.8153 131.7593 557675.9918 24.1174 24.3284 PRESSURE: 461800 54.5158 84.4637 -185.783 84.4628 297.99 105.241 -185.783 105.242 227.555 GPRESSURE: 461800 59.8786 -12.0393 -175.796 179.885 336.215 103.534 -175.191 63.3108 271.343 PRESSAVG: 461800 -27.948 32.5938 -3.5373 32.5937 9.3169 -12.4239 -3.5372 -12.4238 4.00161 GPRESSAVG: 461800 -26.7485 32.7147 -2.50369 32.1888 9.03701 -13.2597 -1.75302 -13.3675 3.40836 TIMING: 461800 CPU: 1366.06, 0.0029646/step Wall: 1366.06, 0.0029646/step, 3.73721 hours remaining, 204.445312 MB of memory in use. ENERGY: 461800 728.9426 2101.4929 1940.6936 109.3697 -206104.8598 17972.2680 0.0000 0.0000 34293.1259 -148958.9670 299.4904 -183252.0929 -148866.4978 299.4030 193.3534 222.4788 556570.3774 -4.8765 -4.7677 PRESSURE: 462000 -84.9687 -40.6214 -1.33595 -40.6204 -21.8738 157.85 -1.33711 157.849 -44.5259 GPRESSURE: 462000 -75.9658 13.0117 -23.4852 -36.0367 16.4697 118.006 -3.11226 226.302 -1.32541 PRESSAVG: 462000 -10.98 -22.3479 2.46644 -22.3477 14.4354 32.7922 2.4664 32.7922 -3.73501 GPRESSAVG: 462000 -11.9672 -22.3924 0.156221 -22.5243 15.7308 32.7988 1.05391 32.803 -3.58238 TIMING: 462000 CPU: 1366.66, 0.00297088/step Wall: 1366.66, 0.00297088/step, 3.74496 hours remaining, 204.445312 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: 462000 714.8412 2071.7342 1964.4037 122.7830 -205746.6999 17568.3116 0.0000 0.0000 34371.9872 -148932.6389 300.1791 -183304.6262 -148830.1611 300.4114 -50.4561 -20.2739 558207.3558 -0.0932 0.0604 PRESSURE: 462200 -53.8235 -14.0221 134.18 -14.0224 102.349 -76.7953 134.178 -76.7955 -292.274 GPRESSURE: 462200 -22.3364 67.4903 45.3339 -1.63094 82.3875 -89.7439 120.525 -43.6166 -207.884 PRESSAVG: 462200 -16.0008 22.8912 -16.1099 22.8913 76.7628 10.5679 -16.1099 10.5679 -83.8119 GPRESSAVG: 462200 -16.4872 21.9433 -15.1518 22.9019 76.4016 11.6514 -16.888 9.85071 -82.9305 TIMING: 462200 CPU: 1367.25, 0.00297566/step Wall: 1367.25, 0.00297566/step, 3.75082 hours remaining, 204.445312 MB of memory in use. ENERGY: 462200 764.8543 2133.5581 1972.4664 113.4260 -205910.2943 17671.3096 0.0000 0.0000 34332.2971 -148922.3828 299.8325 -183254.6799 -148829.4753 300.4762 -81.2495 -49.2776 558611.8505 -7.6833 -7.6720 PRESSURE: 462400 16.1464 172.337 129.805 172.337 -21.0401 77.3043 129.805 77.3063 -19.5626 GPRESSURE: 462400 45.1817 114.367 172.52 176.177 13.7489 76.3742 151.091 67.7611 15.5648 PRESSAVG: 462400 22.3948 9.54754 34.4671 9.54754 -8.16115 -2.75113 34.4671 -2.7511 -49.7467 GPRESSAVG: 462400 23.0189 13.064 35.0558 7.51194 -9.29392 -1.78229 34.5531 -3.29308 -48.9559 TIMING: 462400 CPU: 1367.84, 0.00295431/step Wall: 1367.84, 0.00295431/step, 3.72374 hours remaining, 204.445312 MB of memory in use. ENERGY: 462400 746.6517 2070.1587 1956.5403 108.4047 -206004.8235 17881.3162 0.0000 0.0000 34273.4703 -148968.2816 299.3187 -183241.7519 -148873.5469 299.2158 -8.1521 24.8318 558780.2588 -11.8377 -11.7437 PRESSURE: 462600 -14.697 92.0315 -187.562 92.032 89.1032 55.1486 -187.562 55.1488 -53.214 GPRESSURE: 462600 40.8191 162.819 -154.698 59.8618 111.29 122.973 -191.917 48.83 -35.7753 PRESSAVG: 462600 -40.3656 30.6093 47.7964 30.6094 78.5114 30.3859 47.7964 30.3859 -31.2116 GPRESSAVG: 462600 -40.4472 28.4575 46.8651 32.674 79.6261 33.2042 49.6473 30.4288 -32.5316 TIMING: 462600 CPU: 1368.43, 0.00295329/step Wall: 1368.43, 0.00295329/step, 3.7223 hours remaining, 204.445312 MB of memory in use. ENERGY: 462600 725.0799 2083.9858 1978.1764 113.4919 -206004.4432 17818.6109 0.0000 0.0000 34238.6379 -149046.4605 299.0145 -183285.0983 -148947.7413 299.8662 7.0641 38.7779 558442.9625 2.3114 2.2158 PRESSURE: 462800 -312.646 138.211 -120.269 138.211 -229.781 -217.995 -120.269 -217.995 -201.216 GPRESSURE: 462800 -311.884 91.3505 -136.868 92.2789 -177.87 -245.462 -124.894 -156.981 -154.876 PRESSAVG: 462800 -44.5539 39.9626 17.0348 39.9626 -80.1147 -31.668 17.0347 -31.668 60.2118 GPRESSAVG: 462800 -44.2492 39.067 19.0518 37.4194 -80.9411 -35.2483 14.9944 -30.5696 60.9006 TIMING: 462800 CPU: 1369.03, 0.0029574/step Wall: 1369.03, 0.0029574/step, 3.72731 hours remaining, 204.445312 MB of memory in use. ENERGY: 462800 752.9272 2068.3805 1959.8662 111.8532 -205514.1763 17285.0126 0.0000 0.0000 34246.8085 -149089.3282 299.0859 -183336.1367 -148998.8376 300.4824 -247.8809 -214.8768 557927.9001 -21.4856 -21.4299 PRESSURE: 463000 -237.103 83.1391 19.4135 83.1393 81.1215 -32.8636 19.4128 -32.8644 29.4656 GPRESSURE: 463000 -172.151 96.8766 67.9488 110.01 90.6287 49.7775 -8.84366 -35.2227 49.3234 PRESSAVG: 463000 20.7822 -2.65267 -26.3368 -2.65256 -24.7964 -16.2153 -26.3369 -16.2151 25.9008 GPRESSAVG: 463000 21.3518 -3.0056 -27.9103 -0.00206306 -24.4426 -16.8226 -23.3787 -17.3848 24.7911 TIMING: 463000 CPU: 1369.62, 0.00295577/step Wall: 1369.62, 0.00295577/step, 3.7251 hours remaining, 204.445312 MB of memory in use. ENERGY: 463000 745.5554 2084.7876 1937.7047 102.2622 -206118.5636 17766.7127 0.0000 0.0000 34387.2891 -149094.2519 300.3127 -183481.5410 -149000.3624 299.4439 -42.1720 -10.7330 558311.4992 7.2955 7.2334 PRESSURE: 463200 -107.186 -22.2459 76.4391 -22.2466 102.047 115.805 76.4384 115.803 -112.887 GPRESSURE: 463200 -89.4183 -48.299 34.921 -75.3624 115.063 166.565 41.3807 37.2384 -52.8412 PRESSAVG: 463200 -25.6251 24.1797 -42.0451 24.1797 19.6402 -6.31916 -42.045 -6.31928 -7.44095 GPRESSAVG: 463200 -26.148 24.8652 -42.2985 24.1033 19.4403 -4.24929 -43.994 -6.96862 -6.3831 TIMING: 463200 CPU: 1370.21, 0.00298435/step Wall: 1370.21, 0.00298435/step, 3.76094 hours remaining, 204.445312 MB of memory in use. ENERGY: 463200 758.2804 2079.5666 1923.3534 111.1002 -205895.5939 17796.9505 0.0000 0.0000 34255.1426 -148971.2002 299.1587 -183226.3428 -148874.9135 300.2268 -39.3421 -9.0655 559494.2352 -4.4753 -4.3636 PRESSURE: 463400 38.0355 -46.774 115.76 -46.7732 -173.998 -6.5376 115.76 -6.5365 74.1625 GPRESSURE: 463400 31.3071 -49.5678 144.49 -29.7434 -111.436 6.01685 155.145 53.8133 108.696 PRESSAVG: 463400 -9.96863 -19.534 38.6185 -19.534 36.9415 -1.67512 38.6185 -1.67507 -50.4685 GPRESSAVG: 463400 -10.1845 -20.555 39.1901 -19.1179 37.402 -2.69259 39.3784 -1.1469 -50.4942 TIMING: 463400 CPU: 1370.81, 0.00297493/step Wall: 1370.81, 0.00297493/step, 3.74891 hours remaining, 204.445312 MB of memory in use. ENERGY: 463400 792.3694 2114.9335 1941.8952 108.4745 -206422.5146 18119.6467 0.0000 0.0000 34357.4231 -148987.7720 300.0519 -183345.1952 -148901.3246 299.8442 -20.6001 9.5224 558675.4742 -7.8319 -7.7589 PRESSURE: 463600 -275.352 -92.0961 207.156 -92.0963 410.522 4.58729 207.156 4.58762 -127.642 GPRESSURE: 463600 -231.856 -82.8956 131.738 -161.505 429.667 -113.608 221.726 42.11 -105.827 PRESSAVG: 463600 -33.562 -33.2755 57.0463 -33.2756 47.5156 -18.1635 57.0464 -18.1635 7.56977 GPRESSAVG: 463600 -33.8486 -31.8939 56.4852 -34.054 46.8722 -16.3155 55.6121 -17.6838 7.88714 TIMING: 463600 CPU: 1371.39, 0.00291931/step Wall: 1371.39, 0.00291931/step, 3.67866 hours remaining, 204.445312 MB of memory in use. ENERGY: 463600 722.8899 2144.1612 1954.3445 112.6606 -206234.2742 17881.7055 0.0000 0.0000 34329.6525 -149088.8599 299.8094 -183418.5124 -148992.5495 300.1420 2.5093 30.6615 558225.3081 7.1744 6.9703 PRESSURE: 463800 -163.034 143.934 46.5465 143.934 -179.512 83.107 46.5462 83.1058 -204.118 GPRESSURE: 463800 -112.428 152.151 41.3755 168.66 -153.588 -79.7171 67.7929 119.85 -178.388 PRESSAVG: 463800 -11.4224 -31.1652 -30.294 -31.1652 48.175 -26.7664 -30.294 -26.7664 -38.8392 GPRESSAVG: 463800 -11.4888 -31.0435 -30.6079 -32.1369 49.1455 -28.5634 -30.9651 -26.5132 -39.64 TIMING: 463800 CPU: 1371.98, 0.00293666/step Wall: 1371.98, 0.00293666/step, 3.70035 hours remaining, 204.445312 MB of memory in use. ENERGY: 463800 753.0673 2149.8834 1932.4492 124.0407 -205781.2292 17398.6032 0.0000 0.0000 34345.1473 -149078.0380 299.9447 -183423.1853 -148980.2186 300.1074 -182.2215 -148.1349 556233.5854 -0.6955 -0.6611 PRESSURE: 464000 148.206 1.8256 -12.7137 1.82502 -295.41 173.709 -12.7142 173.709 180.173 GPRESSURE: 464000 175.609 -58.7818 -4.23711 -66.4463 -296.962 162.733 -12.2135 154.38 248.729 PRESSAVG: 464000 -5.76722 -8.85914 20.2432 -8.85911 -14.1776 21.0198 20.2432 21.0197 47.3583 GPRESSAVG: 464000 -5.68049 -9.25363 20.5797 -7.29632 -14.7919 19.2007 20.248 23.3096 47.4585 TIMING: 464000 CPU: 1372.57, 0.00294098/step Wall: 1372.57, 0.00294098/step, 3.70563 hours remaining, 204.445312 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: 464000 708.8558 2175.1876 1946.4151 114.5852 -206663.0062 18034.7010 0.0000 0.0000 34370.1534 -149313.1080 300.1631 -183683.2614 -149216.8566 299.2430 10.9896 42.4589 556529.6280 9.1378 8.9954 PRESSURE: 464200 -5.83861 -87.5965 82.7675 -87.5962 -6.70444 -77.783 82.7674 -77.7845 -72.24 GPRESSURE: 464200 84.4263 -72.6916 107.786 -107.391 -9.94412 12.6287 50.5679 -116.812 -69.8452 PRESSAVG: 464200 -28.5079 -18.5668 -5.75217 -18.5668 -37.8472 40.658 -5.7522 40.658 67.324 GPRESSAVG: 464200 -29.4318 -18.5986 -7.37264 -18.132 -36.1458 43.7267 -5.06092 38.3296 66.767 TIMING: 464200 CPU: 1373.16, 0.0029469/step Wall: 1373.16, 0.0029469/step, 3.71293 hours remaining, 204.445312 MB of memory in use. ENERGY: 464200 721.8515 2116.9211 1954.2439 124.4155 -206038.9422 17759.7108 0.0000 0.0000 34081.1157 -149280.6838 297.6389 -183361.7995 -149185.5568 300.0500 -28.2610 1.5457 558251.3119 0.3230 0.3965 LDB: ============= START OF LOAD BALANCING ============== 1376.58 LDB: ============== END OF LOAD BALANCING =============== 1376.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1376.59 LDB: ============= START OF LOAD BALANCING ============== 1376.88 LDB: Largest compute 4848 load 0.030901 is 26.2% of average load 0.117720 LDB: Average compute 0.001724 is 1.5% of average load 0.117720 LDB: TIME 1376.88 LOAD: AVG 0.11772 MAX 0.197772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.754 MB LDB: TIME 1376.88 LOAD: AVG 0.11772 MAX 0.197772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.953 MB LDB: TIME 1376.88 LOAD: AVG 0.11772 MAX 0.197772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.953 MB LDB: ============== END OF LOAD BALANCING =============== 1376.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1376.89 PRESSURE: 464400 -301.723 29.0185 40.5058 29.0172 285.693 -28.2891 40.5052 -28.2903 -135.92 GPRESSURE: 464400 -224.046 210.404 -1.09902 -42.2705 261.765 50.0543 36.071 -45.4853 -90.1436 PRESSAVG: 464400 -81.3885 -39.729 38.4311 -39.7289 26.0812 54.5222 38.4311 54.5222 24.9691 GPRESSAVG: 464400 -80.852 -39.1454 41.2744 -40.7679 24.3607 51.9125 37.9243 56.649 25.4244 TIMING: 464400 CPU: 1373.76, 0.00301146/step Wall: 1373.76, 0.00301146/step, 3.79411 hours remaining, 206.289062 MB of memory in use. ENERGY: 464400 729.3413 2117.6006 1950.0310 111.3011 -206126.5178 17717.8575 0.0000 0.0000 34062.8763 -149437.5101 297.4796 -183500.3863 -149334.2555 298.5585 -50.6500 -17.4748 559153.3596 -10.1127 -10.3556 PRESSURE: 464600 -151.143 -126.594 55.5996 -126.595 -57.0666 19.4847 55.6008 19.4838 156.579 GPRESSURE: 464600 -133.619 -153.519 32.6244 -102.691 -8.49858 -71.1502 86.5014 75.395 184.716 PRESSAVG: 464600 -33.0699 11.7277 3.91575 11.7278 4.24117 22.7372 3.91585 22.7371 8.52678 GPRESSAVG: 464600 -32.3012 12.9595 3.64846 11.1995 5.20779 24.271 4.06384 21.7559 7.11478 TIMING: 464600 CPU: 1374.35, 0.00295924/step Wall: 1374.35, 0.00295924/step, 3.72815 hours remaining, 206.289062 MB of memory in use. ENERGY: 464600 776.2945 2098.1648 1961.5668 113.2777 -206333.5000 17877.3118 0.0000 0.0000 34012.6228 -149494.2616 297.0407 -183506.8844 -149401.8656 298.3301 -17.2100 14.1996 558250.9088 -6.7673 -6.6595 PRESSURE: 464800 -298.204 134.783 150.575 134.783 -213.904 -27.4662 150.575 -27.4654 -253.178 GPRESSURE: 464800 -291.792 112.106 114.56 92.1346 -138.212 58.3466 134.877 -6.81416 -236.532 PRESSAVG: 464800 -12.1451 -30.6192 31.9307 -30.6192 -32.8765 5.91933 31.9307 5.91942 49.0091 GPRESSAVG: 464800 -13.6158 -31.8744 31.4977 -29.371 -32.3128 6.14343 32.1031 5.36254 50.22 TIMING: 464800 CPU: 1374.94, 0.00294248/step Wall: 1374.94, 0.00294248/step, 3.70687 hours remaining, 206.289062 MB of memory in use. ENERGY: 464800 758.3117 2047.8281 1956.8073 106.3889 -206282.5623 17644.1453 0.0000 0.0000 34299.6458 -149469.4352 299.5473 -183769.0810 -149375.8848 298.3875 -255.0956 -222.1786 557939.5411 1.3292 1.4304 PRESSURE: 465000 -81.4435 200.327 32.8516 200.327 27.6237 -112.338 32.8507 -112.338 -81.4075 GPRESSURE: 465000 -27.7875 140.942 -8.81305 177.209 70.7148 -184.343 2.58918 -105.351 -74.5449 PRESSAVG: 465000 -93.2506 51.7863 -10.7151 51.7862 52.0442 -11.5985 -10.715 -11.5985 25.1672 GPRESSAVG: 465000 -92.8637 52.0001 -11.0712 49.4031 51.5047 -14.1357 -11.7856 -10.7988 25.7298 TIMING: 465000 CPU: 1375.53, 0.00295686/step Wall: 1375.53, 0.00295686/step, 3.72483 hours remaining, 206.289062 MB of memory in use. ENERGY: 465000 747.5847 2141.3846 1915.2255 111.6887 -206374.9018 17799.0216 0.0000 0.0000 34150.1806 -149509.8161 298.2420 -183659.9968 -149415.4519 298.3814 -45.0758 -10.5392 555903.8425 -5.3464 -5.2097 PRESSURE: 465200 124.596 -65.5139 9.74074 -65.5147 196.722 -22.9287 9.74079 -22.9274 -21.0962 GPRESSURE: 465200 226.191 -9.95355 79.4165 -54.2733 228.334 10.2153 17.5119 -18.1789 -66.4376 PRESSAVG: 465200 -28.3733 -18.7838 -10.7343 -18.7838 13.1926 -38.5314 -10.7344 -38.5314 23.4093 GPRESSAVG: 465200 -27.4678 -18.6532 -10.8213 -19.112 12.7542 -35.6044 -9.47316 -40.4652 23.0505 TIMING: 465200 CPU: 1376.13, 0.002974/step Wall: 1376.13, 0.002974/step, 3.74625 hours remaining, 206.542969 MB of memory in use. ENERGY: 465200 737.0951 2135.5464 1952.4924 101.2756 -206576.5869 18044.9814 0.0000 0.0000 34222.1887 -149383.0074 298.8709 -183605.1960 -149286.1547 298.9156 100.0739 129.3624 555269.2847 2.7428 2.7790 PRESSURE: 465400 -22.7737 25.837 60.4252 25.8367 275.067 54.1675 60.4249 54.167 107.095 GPRESSURE: 465400 23.3652 15.4988 126.647 80.8211 281.446 -0.238121 -75.7482 64.8233 146.481 PRESSAVG: 465400 -61.1187 32.9639 -52.3755 32.9639 79.68 -10.1952 -52.3755 -10.1953 -3.58708 GPRESSAVG: 465400 -61.84 31.9207 -51.8895 33.2826 79.2963 -9.52948 -53.1179 -11.0494 -2.37099 TIMING: 465400 CPU: 1376.72, 0.00295732/step Wall: 1376.72, 0.00295732/step, 3.72508 hours remaining, 206.542969 MB of memory in use. ENERGY: 465400 750.5123 2102.2762 1967.7979 129.4675 -206447.9877 17951.0703 0.0000 0.0000 34134.1752 -149412.6882 298.1022 -183546.8634 -149318.7446 299.1302 119.7962 150.4310 555612.8031 4.9914 5.0284 PRESSURE: 465600 -282.814 -43.5895 224.108 -43.5894 -228.016 -182.323 224.108 -182.323 62.691 GPRESSURE: 465600 -210.889 -111.658 101.065 -22.2674 -197.562 -109.245 271.886 -193.821 49.1739 PRESSAVG: 465600 -48.2437 9.12707 39.2229 9.1271 79.0716 -28.245 39.2229 -28.2449 -33.64 GPRESSAVG: 465600 -46.8742 9.79269 40.0388 8.97893 79.0775 -29.2879 39.5597 -23.7827 -34.351 TIMING: 465600 CPU: 1377.31, 0.00295026/step Wall: 1377.31, 0.00295026/step, 3.71601 hours remaining, 206.542969 MB of memory in use. ENERGY: 465600 755.7906 2074.3521 1945.6068 111.3242 -206220.0373 17723.1403 0.0000 0.0000 34186.5718 -149423.2516 298.5598 -183609.8234 -149328.8626 299.1069 -149.3796 -119.7589 558378.3073 -0.9374 -0.7159 PRESSURE: 465800 158.379 41.5862 -72.7227 41.5853 161.611 -109.544 -72.7213 -109.544 179.728 GPRESSURE: 465800 172.384 72.2005 -80.6274 -21.534 181.597 -132.199 -71.5439 -49.1004 247.617 PRESSAVG: 465800 -4.65404 -2.22344 20.6505 -2.22345 31.8483 -30.8234 20.6505 -30.8235 -40.9824 GPRESSAVG: 465800 -5.11381 -1.45473 18.993 -4.09969 32.95 -30.5183 20.6831 -33.6315 -41.407 TIMING: 465800 CPU: 1377.9, 0.00295149/step Wall: 1377.9, 0.00295149/step, 3.7174 hours remaining, 206.542969 MB of memory in use. ENERGY: 465800 706.1704 2050.6859 1974.7352 103.8698 -206744.9004 18129.2376 0.0000 0.0000 34356.8203 -149423.3813 300.0467 -183780.2016 -149325.3903 298.7259 166.5729 200.5325 555486.6067 -4.5960 -4.5236 PRESSURE: 466000 -75.868 22.5468 153.444 22.5474 138.182 240.712 153.444 240.712 169.576 GPRESSURE: 466000 -29.7031 75.1294 154.845 36.2322 164.295 237.831 162.189 175.713 191.56 PRESSAVG: 466000 -58.0917 29.6344 49.1443 29.6343 45.6199 6.92569 49.1443 6.92561 -24.8401 GPRESSAVG: 466000 -58.3268 26.9873 50.5428 31.8801 45.3886 4.96488 48.9984 8.55772 -24.3633 TIMING: 466000 CPU: 1378.48, 0.00293075/step Wall: 1378.48, 0.00293075/step, 3.69111 hours remaining, 206.542969 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: 466000 753.0499 2058.2973 1987.9030 118.1367 -206463.8864 18013.3595 0.0000 0.0000 34190.3233 -149342.8166 298.5926 -183533.1400 -149252.0333 298.5998 77.2966 108.7174 557257.0016 -12.4373 -12.4338 PRESSURE: 466200 10.3093 -87.436 -4.80558 -87.4367 -128.589 6.54614 -4.80527 6.54658 -245.626 GPRESSURE: 466200 48.8444 -91.898 -34.7515 -12.6193 -104.593 55.5103 72.9666 -5.54619 -209.086 PRESSAVG: 466200 -6.036 26.6686 3.74806 26.6687 95.6192 2.51049 3.74804 2.51062 -60.1089 GPRESSAVG: 466200 -5.992 29.5073 0.653957 27.1367 95.3961 2.90842 4.86313 2.96343 -60.2177 TIMING: 466200 CPU: 1379.07, 0.00295541/step Wall: 1379.07, 0.00295541/step, 3.72201 hours remaining, 206.542969 MB of memory in use. ENERGY: 466200 740.9148 2091.1339 1992.3169 121.5444 -206025.8050 17535.7138 0.0000 0.0000 34340.5665 -149203.6147 299.9047 -183544.1812 -149108.5283 299.6120 -121.3019 -88.2781 557196.7026 9.8248 9.7288 PRESSURE: 466400 45.756 6.2863 -3.01698 6.28645 -90.2007 36.0965 -3.01574 36.0968 -54.3182 GPRESSURE: 466400 99.4725 69.5149 -1.54242 -6.68631 -64.279 3.39846 -54.1677 68.0563 -49.9102 PRESSAVG: 466400 22.8962 32.0014 -32.3118 32.0014 -30.4453 71.1471 -32.3118 71.1471 -4.05835 GPRESSAVG: 466400 24.0837 30.6967 -31.296 30.2877 -30.0526 73.1904 -32.3987 68.4936 -5.06827 TIMING: 466400 CPU: 1379.67, 0.00296764/step Wall: 1379.67, 0.00296764/step, 3.73725 hours remaining, 206.542969 MB of memory in use. ENERGY: 466400 768.0807 2159.9614 1937.3780 119.5944 -206030.0669 17653.8930 0.0000 0.0000 34090.9400 -149300.2194 297.7247 -183391.1595 -149205.7726 299.0815 -32.9210 -4.9056 557427.8054 -3.8692 -3.6791 PRESSURE: 466600 20.6325 45.0389 -87.4473 45.0376 28.6306 8.43142 -87.448 8.43093 -2.57986 GPRESSURE: 466600 71.2149 18.8576 -114.611 93.9005 62.7514 22.5645 -81.529 -48.0312 33.3537 PRESSAVG: 466600 52.8493 38.5135 -1.28034 38.5136 -31.0233 23.3095 -1.28042 23.3094 10.7135 GPRESSAVG: 466600 51.1624 39.067 0.81108 39.9565 -30.5691 22.5857 -1.19026 24.1272 11.7618 TIMING: 466600 CPU: 1380.26, 0.0029778/step Wall: 1380.26, 0.0029778/step, 3.74988 hours remaining, 206.542969 MB of memory in use. ENERGY: 466600 752.3447 2066.3704 1971.1972 112.4534 -206531.2457 17966.6098 0.0000 0.0000 34233.2961 -149428.9741 298.9679 -183662.2702 -149338.1061 299.2529 15.5611 55.7733 556847.6047 10.8465 10.7850 PRESSURE: 466800 46.7378 105.993 -7.71726 105.992 -156.69 -181.235 -7.71717 -181.234 -63.5436 GPRESSURE: 466800 107.046 133.837 -34.9983 60.0431 -103.75 -207.744 55.3403 -103.618 -85.2723 PRESSAVG: 466800 59.0044 15.587 36.0322 15.5868 -22.7528 -11.476 36.0322 -11.476 -32.6392 GPRESSAVG: 466800 60.8587 15.9117 34.5959 15.4665 -24.4591 -11.2111 37.3078 -12.3817 -32.0278 TIMING: 466800 CPU: 1380.87, 0.00301239/step Wall: 1380.87, 0.00301239/step, 3.79327 hours remaining, 206.542969 MB of memory in use. ENERGY: 466800 756.4983 2065.2834 1992.3566 106.1022 -206405.5162 17732.4299 0.0000 0.0000 34337.5518 -149415.2940 299.8784 -183752.8458 -149313.4116 299.0282 -57.8320 -27.3253 556140.4165 1.2041 1.4572 PRESSURE: 467000 -68.6451 -53.0599 -61.764 -53.0597 -131.561 -72.6583 -61.7645 -72.6598 -21.6274 GPRESSURE: 467000 -34.0356 -85.9409 -124.412 -86.7714 -89.3702 19.2744 -47.7922 -60.9568 -1.40348 PRESSAVG: 467000 69.5232 13.2088 25.9338 13.2089 -3.99095 9.34706 25.9339 9.34705 -64.6471 GPRESSAVG: 467000 68.9844 12.0102 26.9963 14.2039 -3.8945 11.1829 23.5687 9.58394 -64.9921 TIMING: 467000 CPU: 1381.46, 0.00295659/step Wall: 1381.46, 0.00295659/step, 3.72284 hours remaining, 206.542969 MB of memory in use. ENERGY: 467000 740.8382 2149.6442 1959.9097 109.5753 -206364.6463 17640.0149 0.0000 0.0000 34131.9134 -149632.7507 298.0825 -183764.6641 -149532.9762 299.3595 -73.9446 -41.6031 555870.8594 0.2950 0.0326 PRESSURE: 467200 129.266 85.8864 63.6446 85.8867 -88.7749 40.9769 63.6447 40.9751 -169.074 GPRESSURE: 467200 82.8037 -5.17971 20.3258 49.9826 -32.6983 74.3688 67.5127 47.1381 -84.4023 PRESSAVG: 467200 -9.20947 6.33589 -47.7684 6.33587 -63.468 57.9245 -47.7686 57.9246 48.076 GPRESSAVG: 467200 -8.38379 6.43642 -48.1502 4.27464 -63.4253 57.5735 -48.4903 58.3884 47.2218 TIMING: 467200 CPU: 1382.04, 0.00293073/step Wall: 1382.04, 0.00293073/step, 3.69012 hours remaining, 206.542969 MB of memory in use. ENERGY: 467200 730.7687 2080.4849 1956.3085 121.2269 -206140.4987 17544.1260 0.0000 0.0000 33998.7381 -149708.8456 296.9194 -183707.5837 -149612.7975 297.8691 -42.8612 -11.4323 556301.1553 -8.2005 -8.1958 PRESSURE: 467400 -171.116 -31.6277 -32.8923 -31.6283 -176.539 -77.0191 -32.8926 -77.0204 -216.973 GPRESSURE: 467400 -144.564 -70.8362 -94.5299 -41.0026 -178.246 0.256727 30.5477 -128.192 -145.992 PRESSAVG: 467400 14.0424 6.81555 -48.4168 6.81553 21.7588 -2.12886 -48.4169 -2.12873 -34.9816 GPRESSAVG: 467400 12.6426 6.78649 -49.2431 9.16358 21.5367 -2.60089 -48.3604 -2.75515 -33.3107 TIMING: 467400 CPU: 1382.63, 0.00294719/step Wall: 1382.63, 0.00294719/step, 3.71068 hours remaining, 206.542969 MB of memory in use. ENERGY: 467400 775.8163 2113.8627 1963.0278 112.7056 -206013.9280 17491.4386 0.0000 0.0000 33930.2791 -149626.7978 296.3216 -183557.0770 -149538.9082 297.7111 -188.2093 -156.2670 558734.9995 0.2732 0.2895 PRESSURE: 467600 -43.7165 50.285 78.5789 50.2848 72.3949 197.265 78.5809 197.266 109.89 GPRESSURE: 467600 0.47906 54.9867 14.7527 -17.8692 78.3757 111.725 125.307 264.323 163.544 PRESSAVG: 467600 16.991 45.8722 -65.6642 45.8722 -2.80933 -17.2866 -65.6643 -17.2866 2.14357 GPRESSAVG: 467600 18.0842 46.3907 -65.4852 43.5269 -2.2589 -17.4859 -65.692 -18.6165 0.733372 TIMING: 467600 CPU: 1383.23, 0.00297734/step Wall: 1383.23, 0.00297734/step, 3.74848 hours remaining, 206.542969 MB of memory in use. ENERGY: 467600 737.9441 2086.2774 1938.3891 113.0592 -206406.7895 17933.9482 0.0000 0.0000 34081.7903 -149515.3813 297.6448 -183597.1716 -149415.8416 297.5349 46.1896 80.7997 558018.1031 5.4417 5.5195 PRESSURE: 467800 103.964 129.855 -221.512 129.855 23.9175 -69.7765 -221.511 -69.776 43.8149 GPRESSURE: 467800 121.187 188.279 -162.365 106.523 84.1979 -47.8134 -202.273 -85.8249 62.9324 PRESSAVG: 467800 -65.5978 42.946 -31.6123 42.946 26.5869 -72.8207 -31.6123 -72.8208 6.7382 GPRESSAVG: 467800 -66.4209 44.0371 -32.6959 44.5753 27.7686 -72.3359 -30.6425 -70.9721 6.61701 TIMING: 467800 CPU: 1383.82, 0.00297461/step Wall: 1383.82, 0.00297461/step, 3.74487 hours remaining, 206.542969 MB of memory in use. ENERGY: 467800 731.9682 2053.2814 1968.7154 112.0105 -206775.8051 18098.8565 0.0000 0.0000 34153.5628 -149657.4102 298.2716 -183810.9730 -149561.4274 298.3792 57.2323 89.4390 557374.0151 -10.7576 -10.6784 PRESSURE: 468000 165.253 -94.137 -28.1362 -94.1385 -81.8501 -76.5932 -28.1354 -76.5929 162.511 GPRESSURE: 468000 182.784 -98.3877 -48.6658 -83.5407 -55.3115 49.7937 58.902 -157.989 205.024 PRESSAVG: 468000 51.908 65.2649 4.30716 65.2649 9.4882 -24.4348 4.30719 -24.435 3.32673 GPRESSAVG: 468000 52.4227 63.0356 6.68527 65.115 7.4211 -26.2063 4.16748 -23.1609 5.03892 TIMING: 468000 CPU: 1384.42, 0.00298559/step Wall: 1384.42, 0.00298559/step, 3.75853 hours remaining, 206.542969 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: 468000 734.8253 2061.9806 1943.2802 96.1876 -206814.8643 18062.6946 0.0000 0.0000 34217.7550 -149698.1410 298.8322 -183915.8961 -149602.6476 298.1082 81.9714 110.8323 557834.5889 21.5743 21.6276 PRESSURE: 468200 -13.9344 -55.4107 16.3373 -55.4102 -121.264 -37.8764 16.3359 -37.8759 -55.72 GPRESSURE: 468200 -1.91718 -48.5476 -6.49242 54.0825 -108.65 -3.21494 -87.97 1.70153 16.3658 PRESSAVG: 468200 13.7699 7.50154 -9.81231 7.50161 -9.28931 -59.9661 -9.81229 -59.9659 -36.6555 GPRESSAVG: 468200 14.7847 8.05374 -12.6151 9.15063 -9.09096 -58.1162 -11.5218 -62.7285 -37.6375 TIMING: 468200 CPU: 1385.01, 0.00295569/step Wall: 1385.01, 0.00295569/step, 3.72072 hours remaining, 206.542969 MB of memory in use. ENERGY: 468200 749.0723 2020.7355 1956.9996 116.9775 -206520.5296 17756.5071 0.0000 0.0000 34042.5591 -149877.6784 297.3021 -183920.2375 -149791.6322 297.5367 -63.6393 -31.4006 557973.3214 -10.7250 -10.6479 LDB: ============= START OF LOAD BALANCING ============== 1388.44 LDB: ============== END OF LOAD BALANCING =============== 1388.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1388.44 LDB: ============= START OF LOAD BALANCING ============== 1388.73 LDB: Largest compute 4848 load 0.031056 is 26.4% of average load 0.117808 LDB: Average compute 0.001735 is 1.5% of average load 0.117808 LDB: TIME 1388.74 LOAD: AVG 0.117808 MAX 0.195646 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.5 MB LDB: TIME 1388.74 LOAD: AVG 0.117808 MAX 0.195646 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.531 MB LDB: TIME 1388.74 LOAD: AVG 0.117808 MAX 0.195646 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.531 MB LDB: ============== END OF LOAD BALANCING =============== 1388.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1388.74 PRESSURE: 468400 -55.112 -61.0534 -22.8498 -61.0522 -82.9969 -63.3348 -22.8502 -63.3333 -74.3786 GPRESSURE: 468400 -50.3688 -47.3606 -74.162 -48.7723 -87.0397 -137.168 29.9953 19.0742 13.0385 PRESSAVG: 468400 21.5925 -7.64994 23.1436 -7.64993 -1.44914 12.1266 23.1436 12.1265 -37.7129 GPRESSAVG: 468400 20.7267 -6.29246 24.2199 -9.52692 -1.31195 12.3726 21.0138 12.0637 -36.8015 TIMING: 468400 CPU: 1385.61, 0.00300242/step Wall: 1385.61, 0.00300242/step, 3.77938 hours remaining, 204.304688 MB of memory in use. ENERGY: 468400 729.0510 2136.1619 1940.9185 103.1042 -206735.0652 17879.9440 0.0000 0.0000 34102.9816 -149842.9041 297.8298 -183945.8856 -149745.5885 297.2250 -70.8292 -41.4567 557592.3631 -5.8565 -5.7956 PRESSURE: 468600 137.949 45.9923 56.9716 45.9913 212.46 95.4021 56.971 95.4025 115.884 GPRESSURE: 468600 134.196 -32.2839 115.563 -24.8657 284.362 66.4213 19.4267 125.189 140.17 PRESSAVG: 468600 -33.2108 -20.3663 -16.0804 -20.3662 -12.7603 3.59945 -16.0804 3.59939 40.5546 GPRESSAVG: 468600 -34.3589 -21.8701 -16.3871 -18.0083 -13.2441 3.19354 -13.07 5.65642 41.6658 TIMING: 468600 CPU: 1386.2, 0.00294426/step Wall: 1386.2, 0.00294426/step, 3.706 hours remaining, 204.507812 MB of memory in use. ENERGY: 468600 715.3411 2098.6779 1920.9324 117.7290 -206754.5994 18221.2238 0.0000 0.0000 33984.6482 -149696.0470 296.7964 -183680.6952 -149602.6569 298.1359 155.4307 186.2427 558208.0478 -1.8055 -1.9791 PRESSURE: 468800 -78.9368 87.1718 -67.7792 87.1709 -170.514 3.06961 -67.7799 3.07056 -336.576 GPRESSURE: 468800 -37.5198 7.29054 -36.259 75.0236 -177.777 15.3258 -6.44674 14.201 -280.139 PRESSAVG: 468800 48.269 -7.31276 0.0207429 -7.31283 -50.0238 55.0492 0.0207898 55.0491 33.577 GPRESSAVG: 468800 49.5358 -8.26878 3.19605 -7.97537 -50.0213 54.1999 -2.47516 54.533 31.8399 TIMING: 468800 CPU: 1386.79, 0.00294849/step Wall: 1386.79, 0.00294849/step, 3.71117 hours remaining, 204.703125 MB of memory in use. ENERGY: 468800 726.5021 2064.9981 1952.3607 118.5950 -206054.6817 17556.7906 0.0000 0.0000 33974.6481 -149660.7870 296.7091 -183635.4352 -149567.4044 298.4886 -195.3420 -165.1451 557929.3740 10.6074 10.4515 PRESSURE: 469000 119.618 -50.0898 177.422 -50.0898 242.957 34.3466 177.424 34.3455 108.003 GPRESSURE: 469000 123.931 -55.6304 226.137 -3.3889 307.449 -20.8673 103.142 71.316 145.137 PRESSAVG: 469000 10.1923 -5.84742 10.7151 -5.84746 1.43394 4.39083 10.7151 4.39085 12.2611 GPRESSAVG: 469000 8.50808 -3.47569 6.20436 -8.07558 2.2575 5.96829 11.9542 3.89368 12.5553 TIMING: 469000 CPU: 1387.38, 0.00295889/step Wall: 1387.38, 0.00295889/step, 3.72409 hours remaining, 204.703125 MB of memory in use. ENERGY: 469000 763.4894 1949.8241 1961.8795 114.9849 -206778.8257 18218.2622 0.0000 0.0000 34228.4524 -149541.9331 298.9256 -183770.3856 -149443.8640 297.7452 156.8593 192.1722 556957.6638 7.9625 7.7736 PRESSURE: 469200 -208.23 128.053 31.069 128.053 -156.765 26.855 31.0682 26.8552 -60.211 GPRESSURE: 469200 -191.958 154.508 48.5267 37.2191 -77.2226 7.7687 -15.803 40.4709 -58.7813 PRESSAVG: 469200 38.6501 25.1035 -28.7568 25.1035 -39.2821 31.0906 -28.7567 31.0906 -10.2654 GPRESSAVG: 469200 40.1934 23.7535 -26.0849 25.3895 -39.7671 30.4639 -27.0672 30.9703 -10.9368 TIMING: 469200 CPU: 1387.97, 0.00294766/step Wall: 1387.97, 0.00294766/step, 3.7098 hours remaining, 204.703125 MB of memory in use. ENERGY: 469200 765.4736 2057.8843 1950.4333 105.7020 -205968.2992 17575.9907 0.0000 0.0000 34082.4080 -149430.4071 297.6501 -183512.8152 -149333.1914 299.5814 -141.7353 -109.3205 556604.5590 -3.6324 -3.5035 PRESSURE: 469400 22.4604 16.5168 -21.1863 16.5172 33.5447 6.23519 -21.1874 6.23622 -44.188 GPRESSURE: 469400 57.8621 -62.4454 -56.9016 -7.76947 45.2793 -66.5376 -50.9163 25.9412 16.7108 PRESSAVG: 469400 25.8676 5.8981 4.48256 5.89811 -54.3863 -40.7266 4.48249 -40.7265 67.1314 GPRESSAVG: 469400 26.1767 6.73484 2.67185 6.93813 -54.6828 -40.4422 4.09382 -40.2465 67.4176 TIMING: 469400 CPU: 1388.56, 0.00295308/step Wall: 1388.56, 0.00295308/step, 3.71645 hours remaining, 204.769531 MB of memory in use. ENERGY: 469400 786.0203 2070.3802 1960.9708 121.3154 -206479.4755 17865.0013 0.0000 0.0000 34326.3172 -149349.4703 299.7803 -183675.7875 -149252.8594 298.6300 3.9390 39.9507 554762.0501 12.8709 12.9705 PRESSURE: 469600 -93.7351 12.5635 73.5626 12.563 48.5559 9.53175 73.5631 9.5318 -126.914 GPRESSURE: 469600 -89.2872 68.4763 25.1033 46.1931 108.118 -42.5826 176.062 -18.3527 -91.7696 PRESSAVG: 469600 43.6494 37.9767 -20.7858 37.9767 13.9231 -2.86835 -20.7858 -2.86832 -18.6248 GPRESSAVG: 469600 44.849 35.1941 -22.4176 36.4247 13.1779 -3.72772 -19.1712 -2.95819 -19.1629 TIMING: 469600 CPU: 1389.16, 0.00298742/step Wall: 1389.16, 0.00298742/step, 3.7595 hours remaining, 204.769531 MB of memory in use. ENERGY: 469600 755.5473 2056.5904 1951.7657 101.2343 -205914.2775 17607.2810 0.0000 0.0000 34134.3421 -149307.5166 298.1037 -183441.8587 -149208.7058 298.8751 -57.3644 -24.3128 555535.4249 12.9826 12.9547 PRESSURE: 469800 -56.7133 32.1589 87.8257 32.1576 -49.8256 -126.869 87.826 -126.868 -95.7858 GPRESSURE: 469800 3.37098 57.7337 76.6566 68.7874 -39.4269 -75.0967 10.8187 -131.999 -72.066 PRESSAVG: 469800 40.7247 3.00535 -31.5355 3.00535 -0.387698 -25.2563 -31.5354 -25.2565 -30.3891 GPRESSAVG: 469800 38.5319 4.00492 -29.0477 3.38355 0.526109 -21.8393 -33.6746 -26.3193 -29.3347 TIMING: 469800 CPU: 1389.76, 0.00298726/step Wall: 1389.76, 0.00298726/step, 3.75913 hours remaining, 204.769531 MB of memory in use. ENERGY: 469800 756.0143 2111.7362 1960.2525 124.7766 -205682.3699 17544.3489 0.0000 0.0000 34006.2647 -149178.9767 296.9852 -183185.2414 -149086.8325 299.4269 -67.4416 -36.0406 556073.7157 3.3159 3.2411 PRESSURE: 470000 -246.71 43.3431 -101.939 43.3429 186.237 87.0031 -101.939 87.0039 -236.941 GPRESSURE: 470000 -226.704 56.1333 -92.2128 33.0519 209.193 122.338 -144.876 -8.82932 -186.921 PRESSAVG: 470000 -2.3024 23.9914 -34.9365 23.9913 -24.5764 -10.5873 -34.9365 -10.5873 6.99595 GPRESSAVG: 470000 -0.976274 23.6305 -33.3494 25.1938 -24.9271 -13.9398 -36.2678 -9.38554 6.20409 TIMING: 470000 CPU: 1390.35, 0.00295313/step Wall: 1390.35, 0.00295313/step, 3.71602 hours remaining, 204.769531 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: 470000 745.1943 2046.8369 1950.3983 121.3132 -205507.6595 17428.9725 0.0000 0.0000 34111.6292 -149103.3152 297.9053 -183214.9444 -149010.7817 299.6604 -99.1383 -68.1442 556079.8358 -6.6276 -6.5664 PRESSURE: 470200 47.9499 142.05 27.5547 142.05 194.428 42.3641 27.5553 42.3641 -126.998 GPRESSURE: 470200 94.5142 103.195 140.286 129.816 154.46 64.7302 -72.3252 -4.29115 -27.723 PRESSAVG: 470200 -79.1959 22.1019 -1.54398 22.102 35.9134 36.8943 -1.54405 36.8942 40.2497 GPRESSAVG: 470200 -79.1396 23.6943 -4.17562 22.3083 35.4337 38.5282 0.40852 35.011 40.501 TIMING: 470200 CPU: 1390.94, 0.00294595/step Wall: 1390.94, 0.00294595/step, 3.70682 hours remaining, 204.769531 MB of memory in use. ENERGY: 470200 729.5487 2057.4482 1967.1707 113.9353 -206091.1687 17789.4221 0.0000 0.0000 34242.6984 -149190.9453 299.0500 -183433.6437 -149094.6913 299.5377 38.4600 73.7503 556275.7910 -1.0109 -1.0683 PRESSURE: 470400 38.2419 -69.228 -106.154 -69.2282 -116.909 -113.69 -106.153 -113.688 -223.612 GPRESSURE: 470400 42.7201 -98.9102 -26.2205 -109.968 -32.3512 -104.88 -153.079 -65.9658 -208.942 PRESSAVG: 470400 17.8197 47.5728 -18.7367 47.5727 49.9787 46.3391 -18.7367 46.339 -55.2155 GPRESSAVG: 470400 18.0333 46.9577 -16.791 46.7934 50.3233 45.1287 -19.6138 48.8139 -55.5624 TIMING: 470400 CPU: 1391.52, 0.00292809/step Wall: 1391.52, 0.00292809/step, 3.68419 hours remaining, 204.769531 MB of memory in use. ENERGY: 470400 734.7987 2060.4005 1950.2587 113.8794 -205994.7352 17690.1031 0.0000 0.0000 34489.4485 -148955.8465 301.2049 -183445.2949 -148855.5436 299.9376 -100.7596 -66.1911 559105.7486 4.1943 4.2647 PRESSURE: 470600 72.9429 -25.6072 153.313 -25.6066 -116.735 16.5116 153.313 16.5125 274.004 GPRESSURE: 470600 68.0536 -5.15898 52.2413 -84.2041 -71.3337 4.41689 139.412 68.8748 321.319 PRESSAVG: 470600 28.4316 27.8408 4.80194 27.8409 26.4699 -55.1174 4.80194 -55.1173 -41.8289 GPRESSAVG: 470600 29.0277 29.2446 4.45237 25.2595 26.4081 -53.7733 3.38349 -55.9411 -42.306 TIMING: 470600 CPU: 1392.12, 0.00296289/step Wall: 1392.12, 0.00296289/step, 3.72781 hours remaining, 204.769531 MB of memory in use. ENERGY: 470600 726.1524 2069.5147 1942.2064 114.0869 -206158.0013 17772.4967 0.0000 0.0000 34363.4059 -149170.1383 300.1042 -183533.5442 -149074.7854 299.6232 76.7374 106.0130 557232.8280 4.3576 4.3766 PRESSURE: 470800 -151.266 127.082 3.63709 127.082 128.529 -56.6468 3.6369 -56.6473 227.455 GPRESSURE: 470800 -170.55 141.053 -76.2044 165.184 185.939 -87.2806 100.526 -98.6117 288.889 PRESSAVG: 470800 -59.859 -21.0884 -32.8223 -21.0884 37.935 -22.0699 -32.8224 -22.0698 -7.8669 GPRESSAVG: 470800 -61.138 -22.2977 -34.0383 -17.9998 39.2472 -21.3554 -31.331 -22.7078 -8.07963 TIMING: 470800 CPU: 1392.7, 0.00293904/step Wall: 1392.7, 0.00293904/step, 3.69764 hours remaining, 204.769531 MB of memory in use. ENERGY: 470800 741.2101 2073.7359 1948.6628 117.2483 -206255.6062 17959.7588 0.0000 0.0000 34421.3951 -148993.5952 300.6106 -183414.9903 -148898.1328 299.6830 68.2392 101.4261 558415.2616 -9.9303 -9.9901 PRESSURE: 471000 69.2835 -64.6894 -3.66314 -64.6896 70.769 22.2215 -3.66388 22.2213 -177.781 GPRESSURE: 471000 77.6144 -101.979 22.9898 -42.2251 78.7167 -4.75407 -57.6823 14.1071 -91.2386 PRESSAVG: 471000 -12.6105 21.394 -37.2025 21.394 16.3063 -9.90041 -37.2025 -9.90038 13.4864 GPRESSAVG: 471000 -12.6767 22.8428 -36.834 21.1361 14.9493 -11.7111 -38.1394 -7.42194 14.3733 TIMING: 471000 CPU: 1393.29, 0.00295118/step Wall: 1393.29, 0.00295118/step, 3.71275 hours remaining, 204.769531 MB of memory in use. ENERGY: 471000 756.5162 2062.4116 1935.1456 107.0911 -205813.8076 17660.7733 0.0000 0.0000 34397.0487 -148894.8211 300.3980 -183291.8699 -148798.1141 300.0578 -12.5762 21.6975 557198.9801 5.7274 5.5486 PRESSURE: 471200 18.0177 -8.46555 45.2253 -8.46557 167.499 -15.182 45.2252 -15.1828 -152.393 GPRESSURE: 471200 41.9423 13.2342 55.2723 -16.8019 161.636 15.091 60.7065 -75.1021 -75.0234 PRESSAVG: 471200 48.9385 0.894102 1.4866 0.894149 39.7571 21.762 1.48663 21.762 -67.5452 GPRESSAVG: 471200 48.3238 0.401077 1.56874 0.545419 39.9764 21.9724 1.66947 19.5921 -66.9741 TIMING: 471200 CPU: 1393.88, 0.00293468/step Wall: 1393.88, 0.00293468/step, 3.69183 hours remaining, 204.769531 MB of memory in use. ENERGY: 471200 742.7871 2045.3131 1934.7882 103.4199 -205890.8751 17714.9921 0.0000 0.0000 34229.8868 -149119.6879 298.9381 -183349.5747 -149019.8575 299.7785 11.0412 42.8517 557229.2754 7.0502 7.1087 PRESSURE: 471400 -113.766 30.078 -277.639 30.077 90.1716 -48.5757 -277.638 -48.5749 287.502 GPRESSURE: 471400 -114.587 100.609 -320.2 -59.2306 177.065 -53.911 -212.833 1.00088 301.375 PRESSAVG: 471400 -32.2129 1.67053 -8.45611 1.6705 -38.3588 3.20074 -8.45607 3.20085 15.8195 GPRESSAVG: 471400 -32.3455 1.99959 -8.87248 -0.0951395 -38.6901 3.83495 -5.97874 2.85058 16.2018 TIMING: 471400 CPU: 1394.47, 0.00295002/step Wall: 1394.47, 0.00295002/step, 3.71096 hours remaining, 204.769531 MB of memory in use. ENERGY: 471400 761.5872 2073.7423 1979.4739 113.3707 -206555.8381 18090.1018 0.0000 0.0000 34456.3425 -149081.2197 300.9158 -183537.5622 -148984.8257 299.9744 87.9691 121.2842 556013.7720 -18.2507 -18.2779 PRESSURE: 471600 61.8909 61.1649 0.368213 61.1651 109.626 58.0134 0.368419 58.0133 104.78 GPRESSURE: 471600 20.7442 95.565 -8.46605 2.43763 150.169 49.646 40.8709 59.6893 199.768 PRESSAVG: 471600 38.03 -17.7431 -5.31051 -17.7431 11.4986 42.3475 -5.3105 42.3476 -1.34638 GPRESSAVG: 471600 39.0483 -16.5481 -5.94954 -17.5761 11.1354 41.2304 -6.84472 43.4369 -2.12459 TIMING: 471600 CPU: 1395.07, 0.00298905/step Wall: 1395.07, 0.00298905/step, 3.75989 hours remaining, 204.769531 MB of memory in use. ENERGY: 471600 744.2152 2053.9365 1971.6397 111.3388 -206194.1765 17854.3549 0.0000 0.0000 34382.2603 -149076.4311 300.2688 -183458.6914 -148981.5866 300.3725 92.0990 123.5606 556204.2075 16.0608 16.0197 PRESSURE: 471800 -38.6148 -55.2069 22.8219 -55.2074 -146.524 -44.4212 22.8233 -44.4218 126.546 GPRESSURE: 471800 25.727 -26.2274 -48.5329 -15.7775 -105.782 17.1993 18.8952 -5.79972 114.075 PRESSAVG: 471800 50.806 8.22412 -1.94233 8.2242 -128.321 34.1317 -1.94223 34.1318 62.7016 GPRESSAVG: 471800 51.2622 6.28713 0.345553 9.79168 -129.158 37.0346 -3.39045 33.0362 62.9095 TIMING: 471800 CPU: 1395.66, 0.00296498/step Wall: 1395.66, 0.00296498/step, 3.72945 hours remaining, 204.769531 MB of memory in use. ENERGY: 471800 729.7534 2158.0701 1952.6537 118.1023 -206096.6352 17694.8491 0.0000 0.0000 34415.3889 -149027.8178 300.5582 -183443.2068 -148938.1997 299.7026 -19.5310 11.3402 557790.7347 -4.9376 -4.9954 PRESSURE: 472000 -105.541 42.6958 2.00478 42.696 99.8764 79.3113 2.00719 79.3113 -290.211 GPRESSURE: 472000 -207.084 -8.75437 -52.3461 70.3675 66.5992 28.7401 37.7055 114.278 -76.1097 PRESSAVG: 472000 29.2863 -46.9854 3.09988 -46.9855 -57.9489 32.4234 3.09985 32.4236 21.5094 GPRESSAVG: 472000 28.5413 -46.8083 3.24599 -48.356 -58.044 28.2293 2.16626 33.071 22.187 TIMING: 472000 CPU: 1396.25, 0.00295903/step Wall: 1396.25, 0.00295903/step, 3.7218 hours remaining, 204.769531 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: 472000 757.5677 2127.9952 1982.4456 116.0942 -205941.9689 17646.6818 0.0000 0.0000 34308.5876 -149002.5967 299.6254 -183311.1844 -148904.3727 299.9839 -98.6251 -72.1980 557440.1292 -2.3844 -2.4386 PRESSURE: 472200 -142.794 7.69443 57.0556 7.69448 -36.0757 -6.19689 57.0553 -6.19643 80.5965 GPRESSURE: 472200 -124.17 22.7962 108.707 92.5994 -25.2383 -26.424 13.1265 -38.9688 151.282 PRESSAVG: 472200 15.8482 -14.273 -38.4593 -14.273 3.30635 -31.4323 -38.4593 -31.4323 20.6034 GPRESSAVG: 472200 16.0148 -12.8815 -38.9793 -12.9099 2.58004 -29.8563 -36.9461 -29.7876 20.8985 TIMING: 472200 CPU: 1396.85, 0.00300045/step Wall: 1396.85, 0.00300045/step, 3.77373 hours remaining, 204.769531 MB of memory in use. ENERGY: 472200 762.8321 2125.7988 1964.5877 119.1527 -205777.4643 17519.6457 0.0000 0.0000 34355.9050 -148929.5423 300.0387 -183285.4473 -148828.8146 299.5828 -32.7577 0.6246 555201.4495 13.2526 13.1645 LDB: ============= START OF LOAD BALANCING ============== 1400.28 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1400.28 LDB: =============== DONE WITH MIGRATION ================ 1400.28 LDB: ============= START OF LOAD BALANCING ============== 1400.57 LDB: Largest compute 4848 load 0.030871 is 26.2% of average load 0.117846 LDB: Average compute 0.001733 is 1.5% of average load 0.117846 LDB: TIME 1400.58 LOAD: AVG 0.117846 MAX 0.195227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.238 MB LDB: TIME 1400.58 LOAD: AVG 0.117846 MAX 0.195227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.238 MB LDB: TIME 1400.58 LOAD: AVG 0.117846 MAX 0.195227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.238 MB LDB: ============== END OF LOAD BALANCING =============== 1400.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1400.58 PRESSURE: 472400 160.329 102.437 -156.435 102.437 173.187 134.685 -156.434 134.685 91.3997 GPRESSURE: 472400 170.706 37.5495 -127.515 148.578 210.184 119.997 -125.06 108.842 124.877 PRESSAVG: 472400 -13.2332 -32.7351 13.7299 -32.7351 53.2221 -13.3842 13.7299 -13.3842 -49.1437 GPRESSAVG: 472400 -13.7455 -34.7947 12.3424 -31.444 54.2798 -13.4146 15.9326 -14.9059 -50.4012 TIMING: 472400 CPU: 1397.45, 0.0029994/step Wall: 1397.45, 0.0029994/step, 3.77224 hours remaining, 207.835938 MB of memory in use. ENERGY: 472400 735.2927 2088.2082 1990.4685 126.9247 -205880.8814 17731.1850 0.0000 0.0000 34264.4408 -148944.3615 299.2399 -183208.8023 -148845.6793 299.8580 141.6386 168.5891 554703.9670 -3.0516 -3.2890 PRESSURE: 472600 13.5702 100.192 31.2266 100.192 -63.7726 -8.40257 31.2283 -8.4028 -103.3 GPRESSURE: 472600 49.4363 140.168 13.2039 112.714 -50.6162 42.2387 -81.0477 -0.770021 -54.4152 PRESSAVG: 472600 -25.8811 48.518 -4.04919 48.518 48.9177 30.6717 -4.04914 30.6717 -40.4764 GPRESSAVG: 472600 -25.0269 49.1571 -4.33722 46.5946 48.6246 33.0278 -5.03636 29.4524 -41.0828 TIMING: 472600 CPU: 1398.04, 0.00294753/step Wall: 1398.04, 0.00294753/step, 3.70685 hours remaining, 207.906250 MB of memory in use. ENERGY: 472600 728.0466 2070.3825 1945.1952 113.1295 -206134.9554 17625.1554 0.0000 0.0000 34594.0164 -149059.0298 302.1181 -183653.0462 -148970.8936 299.9643 -51.1676 -18.5317 556861.3658 -5.8133 -5.8284 PRESSURE: 472800 -164.572 23.687 -89.5085 23.6876 26.3056 140.002 -89.5091 140.003 116.088 GPRESSURE: 472800 -126.47 13.9787 -85.8339 23.2675 54.4825 188.276 -89.0675 151.066 140.259 PRESSAVG: 472800 10.9362 47.3369 68.7768 47.3369 11.8169 9.55555 68.7768 9.5557 -15.1075 GPRESSAVG: 472800 10.67 46.2492 71.1497 48.6002 11.0324 7.37245 66.5974 10.0352 -14.6839 TIMING: 472800 CPU: 1398.64, 0.0029738/step Wall: 1398.64, 0.0029738/step, 3.73972 hours remaining, 207.906250 MB of memory in use. ENERGY: 472800 758.9639 2117.8081 1985.1895 96.0467 -206096.6379 17765.4327 0.0000 0.0000 34389.7194 -148983.4775 300.3340 -183373.1969 -148890.6674 299.6940 -7.3926 22.7570 556235.7700 2.5486 2.3395 PRESSURE: 473000 179.705 -31.9132 69.272 -31.9125 99.2408 -72.2107 69.2722 -72.2106 -71.6182 GPRESSURE: 473000 168.336 -3.78972 17.992 -29.7706 142.4 -14.4138 106.733 -52.6337 2.83271 PRESSAVG: 473000 -31.7856 38.3832 2.26532 38.3833 34.9016 -5.66305 2.26545 -5.66313 -29.995 GPRESSAVG: 473000 -32.58 38.1747 2.52607 37.1575 35.7553 -5.09711 4.74694 -5.75246 -29.5609 TIMING: 473000 CPU: 1399.23, 0.00294398/step Wall: 1399.23, 0.00294398/step, 3.70205 hours remaining, 207.906250 MB of memory in use. ENERGY: 473000 738.0666 2064.9523 1953.1557 105.1699 -205935.0939 17857.4101 0.0000 0.0000 34309.9607 -148906.3786 299.6374 -183216.3393 -148806.1182 299.8197 69.1093 104.5230 557847.8725 -8.9597 -8.7952 PRESSURE: 473200 -43.8461 -21.6492 -112.603 -21.6492 16.954 133.508 -112.604 133.506 -190.617 GPRESSURE: 473200 -29.2179 -31.2934 -86.3798 -36.8304 31.5503 139.32 -115.555 95.3796 -122.179 PRESSAVG: 473200 -5.31809 28.1255 41.2161 28.1256 36.2506 -9.22539 41.2161 -9.22541 -39.4593 GPRESSAVG: 473200 -3.55576 30.6582 40.0004 27.1758 34.4577 -7.88315 40.0475 -9.71462 -39.3097 TIMING: 473200 CPU: 1399.82, 0.00295044/step Wall: 1399.82, 0.00295044/step, 3.71002 hours remaining, 207.906250 MB of memory in use. ENERGY: 473200 730.0475 2093.7252 1993.5050 105.1948 -205343.4532 17537.3771 0.0000 0.0000 33960.7079 -148922.8958 296.5873 -182883.6037 -148828.1635 299.5029 -72.5030 -39.9487 558450.5706 -2.8423 -2.8026 PRESSURE: 473400 92.0359 54.1592 -42.3235 54.1588 103.027 64.7025 -42.3231 64.7026 -29.504 GPRESSURE: 473400 123.083 105.391 -42.298 -38.0349 170.79 -17.3262 -103.547 78.141 -42.7139 PRESSAVG: 473400 6.07361 25.348 14.435 25.3481 22.3876 30.4724 14.435 30.4723 -104.843 GPRESSAVG: 473400 4.98712 24.1708 13.182 26.8837 22.6277 30.4599 14.812 31.5216 -104.758 TIMING: 473400 CPU: 1400.41, 0.00295444/step Wall: 1400.41, 0.00295444/step, 3.71488 hours remaining, 207.906250 MB of memory in use. ENERGY: 473400 777.4344 2130.0496 1933.1097 116.8506 -205859.4556 17805.9439 0.0000 0.0000 34194.6148 -148901.4526 298.6301 -183096.0674 -148813.1932 299.7204 55.1862 83.7198 557701.2060 -25.4605 -25.7144 PRESSURE: 473600 -43.6762 -88.2007 25.1052 -88.1989 97.5567 -27.1422 25.1056 -27.141 -78.5698 GPRESSURE: 473600 6.25747 -118.541 -130.88 -13.0159 132.897 12.4199 143.614 -13.1108 -68.1413 PRESSAVG: 473600 -57.6976 -25.6555 46.4111 -25.6555 15.7767 9.18098 46.4111 9.18088 34.2509 GPRESSAVG: 473600 -57.7432 -23.6904 45.1993 -25.4412 16.4723 8.75621 48.5041 9.73984 34.0214 TIMING: 473600 CPU: 1401, 0.00298135/step Wall: 1401, 0.00298135/step, 3.74855 hours remaining, 207.906250 MB of memory in use. ENERGY: 473600 788.4087 2041.0070 1963.2536 114.0072 -206082.5546 17790.6697 0.0000 0.0000 34431.5318 -148953.6767 300.6991 -183385.2085 -148857.7156 299.6546 -8.2298 23.6709 558740.1870 -2.5567 -2.4165 PRESSURE: 473800 -29.1598 141.092 74.4508 141.093 -50.296 115.353 74.4514 115.352 -3.5683 GPRESSURE: 473800 8.90389 38.5117 111.737 94.8326 -46.2133 61.4275 106.871 190.007 46.5015 PRESSAVG: 473800 -7.4675 -9.16186 -14.7536 -9.16182 -8.83602 44.2446 -14.7537 44.2445 11.6059 GPRESSAVG: 473800 -7.48558 -10.487 -13.8225 -9.98064 -9.57027 43.3522 -15.8468 44.8211 12.186 TIMING: 473800 CPU: 1401.6, 0.00296495/step Wall: 1401.6, 0.00296495/step, 3.72776 hours remaining, 207.906250 MB of memory in use. ENERGY: 473800 760.0413 2130.5933 1947.4255 110.5215 -206229.4235 17975.6759 0.0000 0.0000 34315.1024 -148990.0636 299.6823 -183305.1659 -148901.3557 299.9098 -27.6747 3.0640 558331.4085 -1.5659 -1.6233 PRESSURE: 474000 -29.2859 -9.10266 0.610919 -9.10254 -11.6881 107.696 0.611802 107.697 34.2972 GPRESSURE: 474000 -40.1051 -3.04095 -25.6862 -50.1853 29.7008 20.0237 -71.3209 99.4696 105.408 PRESSAVG: 474000 3.72215 2.81533 9.05994 2.81521 -14.0706 -51.1008 9.05984 -51.1008 25.2547 GPRESSAVG: 474000 2.44402 2.87176 9.88916 0.678907 -12.9639 -51.8278 5.72997 -54.0355 25.3904 TIMING: 474000 CPU: 1402.19, 0.00296649/step Wall: 1402.19, 0.00296649/step, 3.72954 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: 474000 762.5775 2098.5829 1984.9957 112.7411 -206210.5514 17971.1663 0.0000 0.0000 34337.5650 -148942.9229 299.8785 -183280.4879 -148854.7469 299.9125 -2.2256 31.6678 558826.4466 4.9687 4.9569 PRESSURE: 474200 18.3183 -12.2973 16.6193 -12.2978 -48.6456 54.7011 16.6189 54.7008 97.5071 GPRESSURE: 474200 21.775 -25.3521 80.0376 87.5291 -3.65328 35.3232 -79.9724 -16.7196 143.702 PRESSAVG: 474200 8.65254 18.1837 60.1416 18.1838 57.0711 -48.1567 60.1416 -48.1567 -14.5034 GPRESSAVG: 474200 8.41962 17.3646 59.8061 20.5611 56.6533 -45.9961 60.5413 -46.7271 -13.4251 TIMING: 474200 CPU: 1402.79, 0.00298107/step Wall: 1402.79, 0.00298107/step, 3.7477 hours remaining, 207.906250 MB of memory in use. ENERGY: 474200 706.9041 2062.4522 1953.6872 115.4617 -205734.8556 17640.9303 0.0000 0.0000 34287.0438 -148968.3763 299.4373 -183255.4201 -148869.8652 300.3081 22.3933 53.9411 558150.4615 17.0734 17.2159 PRESSURE: 474400 45.9777 36.4839 -11.2438 36.484 191.179 64.6281 -11.2431 64.6288 -299.262 GPRESSURE: 474400 76.8435 9.58666 -46.5295 52.3302 206.119 84.3522 -5.42769 58.1819 -243.119 PRESSAVG: 474400 1.13634 17.9844 33.5384 17.9844 -23.7866 14.9055 33.5383 14.9056 101.604 GPRESSAVG: 474400 1.42235 18.1939 31.0347 16.6925 -23.4733 14.7976 37.5362 14.2409 100.317 TIMING: 474400 CPU: 1403.38, 0.00297575/step Wall: 1403.38, 0.00297575/step, 3.74085 hours remaining, 207.906250 MB of memory in use. ENERGY: 474400 757.3339 2118.4497 1971.3003 112.2276 -206101.3683 17812.8655 0.0000 0.0000 34438.1583 -148891.0330 300.7570 -183329.1913 -148799.4603 300.2523 -20.7018 13.2809 557395.6443 26.3181 26.0886 PRESSURE: 474600 141.032 46.5023 151.54 46.5036 104.694 -59.1814 151.54 -59.1802 -32.7658 GPRESSURE: 474600 89.6414 -19.0611 134.557 50.3917 207.428 -28.879 176.073 -92.8181 4.42751 PRESSAVG: 474600 28.7174 -17.5332 57.4006 -17.5332 -26.2049 29.5278 57.4005 29.5278 -7.46314 GPRESSAVG: 474600 28.56 -19.8867 58.6134 -13.0088 -25.5741 29.7221 55.3422 29.4038 -7.66735 TIMING: 474600 CPU: 1403.98, 0.00297929/step Wall: 1403.98, 0.00297929/step, 3.74513 hours remaining, 208.097656 MB of memory in use. ENERGY: 474600 731.5825 2090.3505 1963.1562 116.6229 -205915.0834 17736.0417 0.0000 0.0000 34283.7441 -148993.5855 299.4085 -183277.3296 -148895.3856 300.5412 70.9866 100.4989 557361.5978 -1.6502 -1.5605 PRESSURE: 474800 -219.33 15.518 -144.283 15.5186 30.6022 28.0314 -144.282 28.0305 39.2401 GPRESSURE: 474800 -133.964 -38.7223 -125.791 -18.8842 3.45308 -27.4721 -163.627 107.651 81.9418 PRESSAVG: 474800 -7.69168 -25.9663 35.974 -25.9662 60.4473 0.500525 35.974 0.500596 -64.6402 GPRESSAVG: 474800 -5.85792 -23.442 36.5614 -28.6268 59.3626 -0.40352 36.7389 -0.0444672 -65.1179 TIMING: 474800 CPU: 1404.57, 0.00297163/step Wall: 1404.57, 0.00297163/step, 3.73533 hours remaining, 208.097656 MB of memory in use. ENERGY: 474800 732.2722 2054.1439 1969.3880 118.1530 -205877.7499 17638.5805 0.0000 0.0000 34246.5459 -149118.6664 299.0836 -183365.2124 -149021.5350 299.5026 -49.8292 -16.1896 557186.5118 -3.9615 -3.8711 PRESSURE: 475000 -200.798 102.678 -84.8315 102.678 15.9685 137.659 -84.8314 137.66 -221.952 GPRESSURE: 475000 -178.296 119.324 -42.7977 -63.562 45.8565 222.127 -27.0888 125.585 -175.76 PRESSAVG: 475000 12.4394 -1.42375 -37.4264 -1.42381 -4.44326 0.812111 -37.4263 0.812086 -10.9641 GPRESSAVG: 475000 11.5703 -2.72607 -36.2241 -0.260579 -4.65922 0.582956 -39.3573 3.66047 -9.92223 TIMING: 475000 CPU: 1405.16, 0.00296427/step Wall: 1405.16, 0.00296427/step, 3.72592 hours remaining, 208.097656 MB of memory in use. ENERGY: 475000 747.0094 2125.2834 1966.2777 127.8944 -205826.3396 17565.0449 0.0000 0.0000 34222.4977 -149072.3321 298.8736 -183294.8298 -148983.2778 299.0481 -135.5940 -102.7332 557573.9621 -0.9893 -1.0037 PRESSURE: 475200 -333.976 25.564 127.951 25.5636 -19.2454 -6.72797 127.951 -6.72708 -165.571 GPRESSURE: 475200 -283.405 -45.4276 66.0326 18.5044 -21.7295 6.69701 162.959 -14.0418 -131.656 PRESSAVG: 475200 -8.01589 -28.5791 -25.5424 -28.5791 16.3842 28.0157 -25.5425 28.0157 -3.72759 GPRESSAVG: 475200 -8.47515 -28.0983 -26.379 -28.449 16.2189 28.4913 -23.4084 27.2885 -3.84557 TIMING: 475200 CPU: 1405.76, 0.00297345/step Wall: 1405.76, 0.00297345/step, 3.73729 hours remaining, 208.097656 MB of memory in use. ENERGY: 475200 755.1237 2097.0913 1988.1794 128.7240 -205843.7314 17487.4030 0.0000 0.0000 34379.3877 -149007.8223 300.2437 -183387.2101 -148911.1212 299.0448 -172.9308 -145.5965 558426.7298 1.5469 1.2994 PRESSURE: 475400 -249.477 -5.44496 -30.4471 -5.44513 -123.77 48.1988 -30.4485 48.1985 7.36603 GPRESSURE: 475400 -256.613 -13.1057 -8.51542 -103.36 -84.9899 184.714 -5.16754 -79.2902 67.8922 PRESSAVG: 475400 -54.7129 8.35826 -34.5962 8.3582 36.413 -13.2792 -34.5962 -13.2791 56.7094 GPRESSAVG: 475400 -54.9829 6.5199 -34.9914 8.25146 36.4779 -13.8816 -36.4861 -13.7001 56.9702 TIMING: 475400 CPU: 1406.36, 0.00298809/step Wall: 1406.36, 0.00298809/step, 3.75553 hours remaining, 208.097656 MB of memory in use. ENERGY: 475400 763.4863 2069.0151 1998.5828 117.7372 -205980.4336 17480.9690 0.0000 0.0000 34571.8991 -148978.7441 301.9250 -183550.6432 -148879.4355 299.7059 -121.9603 -91.2369 558711.5721 12.8031 12.8218 PRESSURE: 475600 67.981 -72.9392 25.3896 -72.9386 -3.31698 -2.46451 25.3895 -2.46553 95.352 GPRESSURE: 475600 102.651 -94.4848 52.5271 -45.8803 47.1216 102.603 28.4796 -30.7241 110.059 PRESSAVG: 475600 -8.58559 -26.3588 -18.9237 -26.3589 -47.8593 19.6056 -18.9236 19.6056 50.6306 GPRESSAVG: 475600 -7.50362 -23.6222 -15.7406 -28.1227 -48.0269 20.7732 -18.8231 19.3948 49.7759 TIMING: 475600 CPU: 1406.95, 0.00298712/step Wall: 1406.95, 0.00298712/step, 3.75415 hours remaining, 208.097656 MB of memory in use. ENERGY: 475600 727.5591 2038.1599 1955.4459 105.6941 -206006.7752 17865.3143 0.0000 0.0000 34270.8584 -149043.7434 299.2959 -183314.6018 -148942.5888 299.9115 53.3387 86.6105 558001.6632 -1.9381 -1.9182 PRESSURE: 475800 -253.455 128.446 -26.5913 128.447 -203.696 144.921 -26.592 144.922 55.7567 GPRESSURE: 475800 -226.277 101.349 -29.9115 164.673 -183.49 132.689 -18.5237 158.255 105.778 PRESSAVG: 475800 12.3031 2.52021 51.2401 2.52028 -17.4077 -14.916 51.2401 -14.9159 14.4644 GPRESSAVG: 475800 10.9275 1.96296 48.8337 4.32779 -16.0586 -16.007 51.3073 -15.6145 14.6152 TIMING: 475800 CPU: 1407.55, 0.00295688/step Wall: 1407.55, 0.00295688/step, 3.71597 hours remaining, 208.097656 MB of memory in use. ENERGY: 475800 713.5889 2075.2997 1952.0051 111.1197 -205830.8447 17607.2382 0.0000 0.0000 34177.8052 -149193.7879 298.4833 -183371.5931 -149095.9043 299.3453 -133.7980 -101.3295 558255.6652 3.1199 3.1614 PRESSURE: 476000 -238.024 -52.7431 57.2368 -52.7432 -63.1386 36.1778 57.2377 36.1775 40.6391 GPRESSURE: 476000 -168.677 -104.933 117.039 21.7538 -64.894 70.66 -30.1901 -29.1705 57.2823 PRESSAVG: 476000 -34.4932 -7.11585 -11.8973 -7.11588 53.2037 33.9986 -11.8973 33.9986 -15.5738 GPRESSAVG: 476000 -34.5391 -7.00606 -13.0425 -6.78329 53.1411 35.0018 -12.8109 36.2986 -16.2836 TIMING: 476000 CPU: 1408.14, 0.0029507/step Wall: 1408.14, 0.0029507/step, 3.70804 hours remaining, 208.097656 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: 476000 757.0338 2121.2967 1953.9741 118.2132 -205978.3713 17738.6070 0.0000 0.0000 34148.7885 -149140.4580 298.2299 -183289.2464 -149036.7748 299.2746 -86.8410 -58.7628 557761.8512 1.0456 0.7728 PRESSURE: 476200 -61.7318 3.97936 10.1517 3.97913 4.74944 125.594 10.1516 125.594 46.7364 GPRESSURE: 476200 -78.2877 40.3473 -10.0706 -46.941 128.944 90.0448 70.3413 94.2374 35.0389 PRESSAVG: 476200 12.4037 6.98132 38.2813 6.98127 12.1478 36.5641 38.2814 36.5641 -17.8262 GPRESSAVG: 476200 12.71 5.45953 38.8395 8.13412 11.2934 35.308 41.668 34.236 -17.3167 TIMING: 476200 CPU: 1408.73, 0.00295626/step Wall: 1408.73, 0.00295626/step, 3.71487 hours remaining, 208.097656 MB of memory in use. ENERGY: 476200 726.6459 2069.2711 1944.8169 115.5939 -205904.9130 17757.3634 0.0000 0.0000 34160.8265 -149130.3953 298.3350 -183291.2218 -149033.9513 299.1576 -3.4153 28.5651 558129.8806 2.2418 2.2289 LDB: ============= START OF LOAD BALANCING ============== 1412.15 LDB: ============== END OF LOAD BALANCING =============== 1412.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1412.15 LDB: ============= START OF LOAD BALANCING ============== 1412.45 LDB: Largest compute 4848 load 0.030981 is 26.3% of average load 0.117829 LDB: Average compute 0.001740 is 1.5% of average load 0.117829 LDB: TIME 1412.45 LOAD: AVG 0.117829 MAX 0.196291 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 1412.45 LOAD: AVG 0.117829 MAX 0.196291 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 1412.45 LOAD: AVG 0.117829 MAX 0.196291 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1412.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1412.46 PRESSURE: 476400 209.718 -45.5713 65.6253 -45.5712 -8.66501 -109.484 65.626 -109.484 190.414 GPRESSURE: 476400 281.513 -13.8616 92.8534 -109.779 8.81825 -145.037 148.068 -136.112 192.9 PRESSAVG: 476400 -15.5722 24.2901 14.6194 24.2902 -18.5687 0.307203 14.6193 0.307203 10.0926 GPRESSAVG: 476400 -15.9861 25.8281 13.9056 22.3487 -18.7876 -0.461079 12.1042 -0.392672 10.9933 TIMING: 476400 CPU: 1409.33, 0.00301504/step Wall: 1409.33, 0.00301504/step, 3.78857 hours remaining, 204.964844 MB of memory in use. ENERGY: 476400 751.5907 2076.7943 1971.8351 127.0364 -206450.6311 18063.8342 0.0000 0.0000 34114.7052 -149344.8350 297.9322 -183459.5402 -149251.4163 298.6389 130.4891 161.0770 556901.9491 -8.0161 -7.9268 PRESSURE: 476600 -55.9663 61.4925 131.189 61.4912 22.5776 90.9357 131.189 90.9364 -118.381 GPRESSURE: 476600 -51.3152 63.1845 164.104 137.676 86.0867 77.7486 87.5595 120.504 -90.1353 PRESSAVG: 476600 -24.5688 -32.0627 -31.7031 -32.0627 8.46412 -33.6461 -31.7031 -33.6461 6.03377 GPRESSAVG: 476600 -25.1852 -34.7463 -28.6053 -29.9188 9.60283 -32.947 -32.1309 -33.5426 5.2811 TIMING: 476600 CPU: 1409.92, 0.00296614/step Wall: 1409.92, 0.00296614/step, 3.72695 hours remaining, 204.964844 MB of memory in use. ENERGY: 476600 716.5759 2043.4271 1966.9069 112.1888 -206059.4659 17515.5204 0.0000 0.0000 34261.4668 -149443.3800 299.2139 -183704.8468 -149343.9748 299.2079 -50.5899 -18.4546 556187.2006 -3.3570 -3.4338 PRESSURE: 476800 -211.111 140.152 16.4184 140.151 -359.564 32.7239 16.4188 32.7239 -352.897 GPRESSURE: 476800 -222.073 151.341 -55.0569 115.31 -287.92 -7.7602 -35.9415 51.7125 -315.417 PRESSAVG: 476800 11.1424 -14.9835 35.0204 -14.9835 -22.6614 4.37426 35.0205 4.37438 -14.4245 GPRESSAVG: 476800 12.1752 -14.1039 33.3575 -15.2409 -23.232 4.37365 34.5209 5.12694 -14.5835 TIMING: 476800 CPU: 1410.51, 0.00294783/step Wall: 1410.51, 0.00294783/step, 3.70378 hours remaining, 204.964844 MB of memory in use. ENERGY: 476800 750.8848 2116.8820 1977.6556 125.4283 -206007.6530 17390.7021 0.0000 0.0000 34206.7775 -149439.3225 298.7363 -183646.1001 -149340.6893 298.9475 -307.8575 -275.1367 557443.7655 -8.6479 -8.5468 PRESSURE: 477000 -54.3148 -22.8012 -30.2772 -22.8015 238.191 -221.923 -30.2773 -221.922 216.798 GPRESSURE: 477000 -39.2384 -10.4491 56.6646 -88.0305 244.461 -218.142 -101.636 -206.901 294.645 PRESSAVG: 477000 -36.9915 9.54631 10.81 9.54624 57.0412 -27.411 10.8101 -27.4109 39.7174 GPRESSAVG: 477000 -38.0893 9.98659 11.266 8.90487 57.1817 -26.5364 11.9401 -27.7465 40.2789 TIMING: 477000 CPU: 1411.11, 0.00297609/step Wall: 1411.11, 0.00297609/step, 3.73912 hours remaining, 204.964844 MB of memory in use. ENERGY: 477000 710.8347 2023.8442 1953.9955 108.4260 -206566.3470 18008.2559 0.0000 0.0000 34265.1982 -149495.7924 299.2465 -183760.9907 -149404.9270 298.6629 133.5580 166.6226 555986.0108 19.9224 19.7904 PRESSURE: 477200 -232.773 32.3679 -180.329 32.3687 -489.717 110.095 -180.33 110.095 -113.333 GPRESSURE: 477200 -187.085 50.6458 -248.43 42.0413 -460.541 139.339 -137.898 145.339 -97.4661 PRESSAVG: 477200 29.0164 -4.72542 -28.5391 -4.72538 -17.0462 21.0171 -28.5391 21.0171 18.2448 GPRESSAVG: 477200 30.5768 -5.10794 -28.1664 -2.93795 -18.2458 19.2506 -28.3798 22.0969 17.3174 TIMING: 477200 CPU: 1411.7, 0.00296565/step Wall: 1411.7, 0.00296565/step, 3.72584 hours remaining, 204.964844 MB of memory in use. ENERGY: 477200 719.4096 2074.4549 1936.3588 113.4506 -205756.4985 17249.6775 0.0000 0.0000 34243.7464 -149419.4008 299.0592 -183663.1472 -149319.5913 298.3497 -278.6075 -248.3639 557121.4273 10.0716 9.8828 PRESSURE: 477400 -203.653 -104.739 -89.8345 -104.74 -186.632 23.3622 -89.8349 23.3621 -183.245 GPRESSURE: 477400 -142.045 -49.6788 -64.3636 -72.438 -216.537 54.1176 -132.857 -40.8794 -129.688 PRESSAVG: 477400 11.9586 12.401 -18.318 12.4011 -57.1752 39.7347 -18.318 39.7346 31.1056 GPRESSAVG: 477400 11.8092 13.9284 -19.2848 10.2189 -57.0585 40.6971 -18.5249 38.2052 30.9488 TIMING: 477400 CPU: 1412.3, 0.00297188/step Wall: 1412.3, 0.00297188/step, 3.7335 hours remaining, 204.964844 MB of memory in use. ENERGY: 477400 785.3296 2098.9408 1936.9692 106.6411 -206265.5569 17539.6018 0.0000 0.0000 34249.1921 -149548.8824 299.1067 -183798.0744 -149447.4570 298.7976 -191.1766 -162.7565 556661.7879 -4.7037 -4.7668 PRESSURE: 477600 -75.5692 0.929998 41.8486 0.931597 -294.274 -54.2012 41.849 -54.2011 -239.34 GPRESSURE: 477600 16.6744 2.95825 128.506 -61.0634 -219.321 -74.0419 44.0901 -74.1453 -293.117 PRESSAVG: 477600 38.4098 -7.90181 -20.1893 -7.90183 -19.0889 -46.4932 -20.1891 -46.4932 24.6948 GPRESSAVG: 477600 38.4403 -10.1447 -20.967 -7.79602 -19.7491 -47.2679 -18.9435 -46.5193 25.3857 TIMING: 477600 CPU: 1412.89, 0.00295239/step Wall: 1412.89, 0.00295239/step, 3.70886 hours remaining, 204.964844 MB of memory in use. ENERGY: 477600 742.0775 2048.3569 1944.5803 123.6448 -205973.7637 17486.8371 0.0000 0.0000 34060.8424 -149567.4248 297.4618 -183628.2672 -149475.0126 298.3291 -203.0611 -165.2545 557330.3972 14.6719 14.6923 PRESSURE: 477800 -199.315 -56.4531 125.875 -56.4529 -295.594 -155.704 125.877 -155.704 -170.308 GPRESSURE: 477800 -223.514 -48.2722 93.8801 -87.2002 -207.182 -241.638 119.547 -68.4861 -124.955 PRESSAVG: 477800 -31.4803 16.4575 32.1726 16.4574 -70.714 -24.0924 32.1726 -24.0923 32.543 GPRESSAVG: 477800 -32.3562 19.6353 31.8355 14.9531 -69.9319 -22.5348 30.4132 -25.2161 33.3956 TIMING: 477800 CPU: 1413.48, 0.00294604/step Wall: 1413.48, 0.00294604/step, 3.70072 hours remaining, 204.964844 MB of memory in use. ENERGY: 477800 756.3021 2094.8237 1968.4772 126.1332 -206156.1239 17519.1757 0.0000 0.0000 34243.7564 -149447.4556 299.0592 -183691.2119 -149346.3881 298.7116 -221.7390 -185.2169 557662.1936 -23.2171 -22.9642 PRESSURE: 478000 225.688 -79.7541 41.3236 -79.7537 -88.903 -53.6558 41.3236 -53.6559 -99.8637 GPRESSURE: 478000 256.154 -74.8747 -25.5348 -58.7729 -23.6596 -37.0385 58.0142 -43.9528 -97.5142 PRESSAVG: 478000 123.273 -6.48856 -70.0726 -6.48864 -20.7615 -30.0046 -70.0724 -30.0046 -36.859 GPRESSAVG: 478000 122.331 -8.53834 -68.4315 -5.19205 -19.8646 -31.1147 -67.7199 -28.3984 -37.2508 TIMING: 478000 CPU: 1414.07, 0.00296759/step Wall: 1414.07, 0.00296759/step, 3.72762 hours remaining, 204.964844 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: 478000 746.8861 2043.1468 1949.4448 121.0793 -206446.7626 17856.8030 0.0000 0.0000 34341.9539 -149387.4487 299.9168 -183729.4027 -149286.2015 298.6667 12.3070 44.9933 557765.1525 21.8840 21.7386 PRESSURE: 478200 -201.536 -47.811 -55.6407 -47.811 -33.099 -7.12842 -55.6404 -7.12852 52.2683 GPRESSURE: 478200 -196.89 -46.9941 -25.8837 -52.7812 15.6643 -3.55572 -53.4669 53.6206 80.2142 PRESSAVG: 478200 12.3686 -22.5708 -48.0265 -22.5708 -21.397 -22.4081 -48.0266 -22.4082 37.3979 GPRESSAVG: 478200 13.8072 -21.2548 -49.0713 -22.7796 -22.0627 -22.8369 -49.5404 -22.0896 36.6515 TIMING: 478200 CPU: 1414.66, 0.00295959/step Wall: 1414.66, 0.00295959/step, 3.71741 hours remaining, 204.964844 MB of memory in use. ENERGY: 478200 724.8437 2077.5277 1955.9516 140.1927 -205911.8636 17578.9396 0.0000 0.0000 34205.3266 -149229.0817 298.7236 -183434.4083 -149135.1679 299.1065 -60.7889 -33.6705 557375.8729 9.4565 9.4653 PRESSURE: 478400 218.886 -60.1441 -4.17692 -60.1435 -38.3406 -105.519 -4.17672 -105.518 61.5422 GPRESSURE: 478400 208.706 -41.2874 -29.4271 -84.0676 25.317 -32.4542 44.307 -81.26 106.699 PRESSAVG: 478400 55.0867 -15.1511 12.7138 -15.1511 -35.8645 10.382 12.7138 10.382 0.0156009 GPRESSAVG: 478400 55.4213 -15.4221 12.7087 -15.3941 -35.9123 11.1935 12.2708 9.54559 -0.432864 TIMING: 478400 CPU: 1415.25, 0.00293926/step Wall: 1415.25, 0.00293926/step, 3.6917 hours remaining, 205.164062 MB of memory in use. ENERGY: 478400 733.8509 2074.3099 1958.0879 117.7785 -206188.5983 17837.4988 0.0000 0.0000 34207.7309 -149259.3414 298.7446 -183467.0723 -149163.8993 298.8482 80.6960 113.5741 557100.2437 6.4126 6.3587 PRESSURE: 478600 -14.3617 -46.0757 49.6509 -46.0753 -380.567 -2.19503 49.6509 -2.19655 -174.684 GPRESSURE: 478600 -10.6052 -31.7275 35.6175 -57.3336 -280.12 20.8698 71.8531 32.6021 -177.139 PRESSAVG: 478600 -4.57245 -22.9585 38.888 -22.9584 -46.1239 -46.7765 38.8879 -46.7766 38.2737 GPRESSAVG: 478600 -4.67765 -22.8842 38.8635 -25.1355 -46.7014 -46.0548 40.7503 -47.5148 38.614 TIMING: 478600 CPU: 1415.84, 0.00295801/step Wall: 1415.84, 0.00295801/step, 3.71509 hours remaining, 205.164062 MB of memory in use. ENERGY: 478600 734.8304 2076.4252 1947.1679 124.6158 -205753.4581 17524.1739 0.0000 0.0000 34270.6213 -149075.6235 299.2939 -183346.2448 -148975.7861 300.1429 -189.8709 -155.9548 557771.0114 -4.1409 -4.2550 PRESSURE: 478800 2.91853 59.5176 127.884 59.5155 25.1305 -65.9375 127.883 -65.9391 34.3166 GPRESSURE: 478800 -7.97422 14.2651 109.193 49.6314 76.4445 -91.1392 17.0916 -71.7684 95.9194 PRESSAVG: 478800 60.052 17.3576 -12.4175 17.3576 -49.0574 -10.7961 -12.4175 -10.7961 17.9565 GPRESSAVG: 478800 58.7221 16.2558 -12.3127 21.3931 -48.6221 -12.0852 -13.7439 -8.70668 19.0449 TIMING: 478800 CPU: 1416.43, 0.00296136/step Wall: 1416.43, 0.00296136/step, 3.71914 hours remaining, 205.164062 MB of memory in use. ENERGY: 478800 771.0871 2105.0489 1944.2315 120.9383 -206019.5730 17690.5615 0.0000 0.0000 34428.2507 -148959.4550 300.6705 -183387.7057 -148860.9978 299.5547 20.7885 54.7966 556314.6604 9.6504 9.7150 PRESSURE: 479000 96.463 63.7667 -7.86236 63.7663 -24.5167 -9.28776 -7.86224 -9.28775 6.75093 GPRESSURE: 479000 144.317 25.9501 5.3937 93.1076 24.3086 87.388 105.304 -56.0588 -6.42902 PRESSAVG: 479000 33.615 -60.3391 6.45036 -60.3391 -5.59373 -29.3105 6.4504 -29.3105 3.29721 GPRESSAVG: 479000 32.9678 -59.7444 7.03373 -61.1803 -5.08976 -27.4292 7.14923 -30.843 3.54091 TIMING: 479000 CPU: 1417.03, 0.00296468/step Wall: 1417.03, 0.00296468/step, 3.72314 hours remaining, 205.164062 MB of memory in use. ENERGY: 479000 756.6661 2113.9553 1950.3693 113.3420 -205948.3009 17668.5593 0.0000 0.0000 34279.3310 -149066.0780 299.3699 -183345.4090 -148968.1946 300.2548 26.2324 54.0654 556158.3491 10.4395 10.4730 PRESSURE: 479200 -193.396 52.2697 110.918 52.2698 -122.015 -217.059 110.917 -217.058 -156.37 GPRESSURE: 479200 -160.961 33.9746 79.1507 140.423 -84.276 -309.934 109.747 -217.634 -117.084 PRESSAVG: 479200 -6.64817 -19.8178 -25.7267 -19.8178 37.7912 6.31916 -25.7267 6.31927 2.27175 GPRESSAVG: 479200 -6.18211 -19.8287 -24.9816 -20.2386 37.3837 6.40238 -26.6636 5.43266 2.69194 TIMING: 479200 CPU: 1417.62, 0.00296267/step Wall: 1417.62, 0.00296267/step, 3.72045 hours remaining, 205.164062 MB of memory in use. ENERGY: 479200 799.7453 2115.6922 1932.1360 115.6480 -205602.0701 17429.6346 0.0000 0.0000 34351.9709 -148857.2431 300.0043 -183209.2140 -148772.4155 299.6469 -157.2602 -120.7737 555720.4624 11.1383 11.2979 PRESSURE: 479400 -112.259 -93.5066 -137.386 -93.506 -394.368 9.01698 -137.386 9.0168 -58.5756 GPRESSURE: 479400 -41.8055 -79.2773 -192.106 -94.0109 -381.114 -26.177 -147.623 -6.8363 -53.3803 PRESSAVG: 479400 -1.08321 -9.5763 6.3413 -9.57628 -64.1095 -25.139 6.34131 -25.1389 72.8917 GPRESSAVG: 479400 -0.516186 -10.4706 3.47877 -10.4915 -64.6139 -26.3791 7.63528 -22.3316 72.9695 TIMING: 479400 CPU: 1418.21, 0.00296664/step Wall: 1418.21, 0.00296664/step, 3.72528 hours remaining, 205.164062 MB of memory in use. ENERGY: 479400 742.4849 2146.6154 1935.6634 127.4843 -205478.9581 17419.8435 0.0000 0.0000 34229.7504 -148877.1162 298.9369 -183106.8666 -148787.7296 300.7929 -188.4007 -158.7667 557602.3478 2.5663 2.6131 PRESSURE: 479600 -424.302 35.0778 -77.3207 35.0778 -148.6 32.0575 -77.3209 32.0579 -252.241 GPRESSURE: 479600 -355.609 -3.81019 -79.3269 35.5362 -106.882 8.26489 -13.7415 127.978 -258.04 PRESSAVG: 479600 34.7903 -32.2714 -55.3728 -32.2714 -39.1032 -37.267 -55.3728 -37.267 -1.6979 GPRESSAVG: 479600 36.1632 -31.6368 -53.7139 -32.7851 -38.0594 -38.5971 -55.9545 -36.819 -3.05823 TIMING: 479600 CPU: 1418.81, 0.00297475/step Wall: 1418.81, 0.00297475/step, 3.73529 hours remaining, 205.164062 MB of memory in use. ENERGY: 479600 741.0256 2107.5421 1970.2352 130.3616 -205821.9644 17556.2392 0.0000 0.0000 34207.4845 -149109.0761 298.7425 -183316.5606 -149005.3043 299.9163 -275.0475 -240.1771 559733.4693 -2.0036 -1.6515 PRESSURE: 479800 -52.8372 -49.7617 58.2437 -49.7611 -91.3844 -28.2795 58.2441 -28.2819 260.354 GPRESSURE: 479800 -64.4429 -14.7773 12.613 -19.5795 -32.1445 -7.72022 20.3653 -40.6676 313.346 PRESSAVG: 479800 -24.5281 -20.3562 34.9844 -20.3561 -6.37647 2.3259 34.9843 2.32588 -23.7566 GPRESSAVG: 479800 -24.1358 -20.4528 32.6708 -19.0422 -6.76692 2.22068 36.1109 -0.281439 -23.8165 TIMING: 479800 CPU: 1419.4, 0.0029673/step Wall: 1419.4, 0.0029673/step, 3.72578 hours remaining, 205.164062 MB of memory in use. ENERGY: 479800 790.8951 2036.4949 1934.8278 98.5105 -206466.7303 18094.6723 0.0000 0.0000 34367.7910 -149143.5386 300.1425 -183511.3296 -149041.1776 299.4252 38.7107 72.2529 559280.8366 -18.2204 -18.2397 PRESSURE: 480000 153.793 -91.796 122.45 -91.7971 -39.2681 27.632 122.45 27.6323 223.266 GPRESSURE: 480000 190.626 -139.675 82.598 -145.978 7.66478 20.0598 25.9316 20.4004 241.594 PRESSAVG: 480000 -14.7924 -35.7591 7.43463 -35.7591 28.2854 53.0489 7.43465 53.0489 18.7075 GPRESSAVG: 480000 -16.2511 -33.5748 8.8239 -37.5432 29.5132 52.5699 5.06431 54.1254 19.2781 TIMING: 480000 CPU: 1419.99, 0.00296897/step Wall: 1419.99, 0.00296897/step, 3.72771 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: 480000 740.3990 2084.3719 1977.7419 122.4760 -206559.0740 18083.6112 0.0000 0.0000 34218.5400 -149331.9340 298.8390 -183550.4740 -149228.6510 299.5081 112.5969 146.6280 559006.5450 10.7335 10.8467 PRESSURE: 480200 -138.626 -7.30281 153.413 -7.3016 234.739 -209.244 153.413 -209.245 144.417 GPRESSURE: 480200 -124.58 45.6377 84.184 -13.8875 261.076 -160.651 138.192 -134.695 195.667 PRESSAVG: 480200 11.9812 36.0277 9.35875 36.0278 -7.37938 2.93782 9.35878 2.93769 32.9748 GPRESSAVG: 480200 13.0748 34.3061 9.95682 37.9176 -7.73078 4.58845 10.2155 2.09676 31.5453 TIMING: 480200 CPU: 1420.59, 0.00297884/step Wall: 1420.59, 0.00297884/step, 3.73993 hours remaining, 205.234375 MB of memory in use. ENERGY: 480200 709.7101 2063.4927 1943.3226 101.8499 -206188.1251 17922.0763 0.0000 0.0000 34402.0657 -149045.6078 300.4418 -183447.6736 -148950.0346 299.5154 80.1766 110.7211 558721.0702 12.5255 12.2964 LDB: ============= START OF LOAD BALANCING ============== 1424.02 LDB: ============== END OF LOAD BALANCING =============== 1424.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1424.02 LDB: ============= START OF LOAD BALANCING ============== 1424.32 LDB: Largest compute 4848 load 0.031473 is 26.7% of average load 0.117757 LDB: Average compute 0.001727 is 1.5% of average load 0.117757 LDB: TIME 1424.32 LOAD: AVG 0.117757 MAX 0.197607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.043 MB LDB: TIME 1424.32 LOAD: AVG 0.117757 MAX 0.197607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.246 MB LDB: TIME 1424.32 LOAD: AVG 0.117757 MAX 0.197607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.246 MB LDB: ============== END OF LOAD BALANCING =============== 1424.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1424.33 PRESSURE: 480400 -213.272 95.3382 -132.12 95.3372 197.673 17.3124 -132.121 17.3121 -101.766 GPRESSURE: 480400 -161.362 62.8189 -66.3856 101.431 236.05 123.55 -134.928 -48.318 -88.3429 PRESSAVG: 480400 -24.4999 28.4998 3.50612 28.4999 73.1145 -38.4073 3.50613 -38.4074 -33.8201 GPRESSAVG: 480400 -26.0228 29.0893 4.59802 27.6893 73.5894 -36.8131 0.849591 -40.0295 -32.0417 TIMING: 480400 CPU: 1421.2, 0.00305713/step Wall: 1421.2, 0.00305713/step, 3.83806 hours remaining, 204.234375 MB of memory in use. ENERGY: 480400 747.5556 2129.8993 1952.6186 110.3922 -206051.0923 17848.7742 0.0000 0.0000 34378.6655 -148883.1869 300.2374 -183261.8524 -148789.5652 299.8567 -39.1215 -4.5519 558641.7644 4.9315 5.1749 PRESSURE: 480600 -182.551 -336.019 98.6006 -336.017 32.2045 -71.7561 98.5994 -71.7563 234.074 GPRESSURE: 480600 -185.71 -322.756 162.746 -297.996 105.972 -28.888 68.2952 -63.9587 254.569 PRESSAVG: 480600 -75.2303 -51.9085 -9.68912 -51.9084 15.8626 -48.7554 -9.68909 -48.7554 61.7696 GPRESSAVG: 480600 -73.9751 -49.6955 -9.24348 -51.8951 15.0465 -51.1467 -9.57562 -45.7081 61.7854 TIMING: 480600 CPU: 1421.8, 0.00297405/step Wall: 1421.8, 0.00297405/step, 3.73359 hours remaining, 204.234375 MB of memory in use. ENERGY: 480600 704.2362 2124.6763 1926.3117 113.0196 -206097.5935 17760.5171 0.0000 0.0000 34613.3726 -148855.4600 302.2872 -183468.8327 -148757.7854 300.4943 27.9092 58.2770 558761.1173 0.8007 0.9523 PRESSURE: 480800 -37.6079 124.774 -136.936 124.775 -150.698 183.115 -136.936 183.115 -3.36423 GPRESSURE: 480800 11.5673 118.304 -188.712 200.646 -116.497 244.391 -46.1327 141.087 10.1084 PRESSAVG: 480800 -19.7593 -29.5337 -20.9326 -29.5337 1.44094 55.3076 -20.9326 55.3076 -10.5774 GPRESSAVG: 480800 -19.3664 -30.0733 -20.8603 -28.8126 2.68621 56.7435 -20.3047 53.2582 -11.8295 TIMING: 480800 CPU: 1422.38, 0.00294433/step Wall: 1422.38, 0.00294433/step, 3.69611 hours remaining, 204.234375 MB of memory in use. ENERGY: 480800 773.7672 2127.9027 1948.6670 111.4570 -206433.9111 17952.4090 0.0000 0.0000 34309.7494 -149209.9587 299.6356 -183519.7081 -149113.9537 300.0032 -63.8901 -31.6072 556763.8643 -9.6319 -9.5032 PRESSURE: 481000 103.319 -26.4498 -202.768 -26.4499 -16.6674 21.0701 -202.768 21.0694 151.813 GPRESSURE: 481000 199.813 -127.702 -252.86 27.7837 9.79956 5.57126 -170.105 31.205 121.386 PRESSAVG: 481000 -28.549 4.18 -112.151 4.18007 39.437 45.5739 -112.151 45.574 19.2127 GPRESSAVG: 481000 -29.7728 3.7918 -114.327 3.16887 39.854 43.0772 -110.796 47.2087 19.8024 TIMING: 481000 CPU: 1422.97, 0.00293089/step Wall: 1422.97, 0.00293089/step, 3.67908 hours remaining, 204.304688 MB of memory in use. ENERGY: 481000 738.2072 2084.2125 1952.4735 105.4510 -206698.1453 18214.8751 0.0000 0.0000 34304.3644 -149298.5616 299.5885 -183602.9260 -149197.5768 299.3459 79.4882 110.3329 557006.4751 10.0335 9.9612 PRESSURE: 481200 -122.842 83.5554 -238.188 83.5562 -83.4279 119.346 -238.189 119.344 126.85 GPRESSURE: 481200 -87.0555 33.2609 -160.808 33.2614 -92.1295 29.8823 -275.205 91.9473 198.236 PRESSAVG: 481200 -0.42419 -11.2297 -56.1293 -11.2298 36.1692 35.3587 -56.1292 35.3588 -68.8373 GPRESSAVG: 481200 0.873334 -11.5273 -55.5012 -10.6635 33.3462 35.2396 -57.0852 36.3738 -67.2839 TIMING: 481200 CPU: 1423.56, 0.0029484/step Wall: 1423.56, 0.0029484/step, 3.7009 hours remaining, 204.304688 MB of memory in use. ENERGY: 481200 748.0999 2089.2061 1933.3203 117.8448 -206295.0019 17766.8455 0.0000 0.0000 34363.3659 -149276.3194 300.1038 -183639.6853 -149177.7998 298.9733 -26.4734 6.3502 555683.8933 -11.0308 -11.0215 PRESSURE: 481400 -111.224 -114.414 68.0657 -114.412 -275.023 -82.873 68.0657 -82.874 70.2299 GPRESSURE: 481400 -99.0121 -30.1131 129.495 -128.034 -167.424 -78.0638 13.6106 -70.5969 54.581 PRESSAVG: 481400 25.7988 -26.9968 -28.9901 -26.9969 -33.9912 52.6734 -28.9901 52.6734 64.6471 GPRESSAVG: 481400 26.1994 -26.331 -29.4537 -27.3708 -31.8543 54.0379 -27.7521 52.6331 62.3435 TIMING: 481400 CPU: 1424.15, 0.00295091/step Wall: 1424.15, 0.00295091/step, 3.70388 hours remaining, 204.304688 MB of memory in use. ENERGY: 481400 755.7434 2040.6487 1962.8099 115.6237 -205995.3395 17670.7753 0.0000 0.0000 34213.3740 -149236.3645 298.7939 -183449.7386 -149136.1590 299.4375 -105.3392 -70.6185 557008.0028 18.8182 18.8962 PRESSURE: 481600 -24.3315 -10.5124 37.5765 -10.5122 339.39 -110.815 37.5768 -110.817 19.1635 GPRESSURE: 481600 21.1896 -27.9025 -12.8564 -30.3102 355.05 -161.583 73.361 -93.0065 55.3023 PRESSAVG: 481600 -25.5667 1.17272 42.3835 1.17272 55.4068 16.9651 42.3834 16.9651 -12.0403 GPRESSAVG: 481600 -26.5627 0.75953 41.8116 2.74364 55.2056 16.3481 42.0551 15.0415 -11.347 TIMING: 481600 CPU: 1424.74, 0.00294126/step Wall: 1424.74, 0.00294126/step, 3.6916 hours remaining, 204.304688 MB of memory in use. ENERGY: 481600 738.2252 2063.3795 1961.9336 124.6127 -206405.3460 17840.9602 0.0000 0.0000 34515.8711 -149160.3636 301.4357 -183676.2347 -149066.0858 299.2423 111.4073 143.8472 557082.9724 5.9333 5.7653 PRESSURE: 481800 -157.749 133.004 -68.1176 133.003 -205.231 -217.325 -68.1185 -217.326 -44.6056 GPRESSURE: 481800 -144.129 102.802 -119.349 48.87 -214.566 -236.207 -33.865 -196.391 49.3514 PRESSAVG: 481800 -38.0132 3.39172 -42.0253 3.39176 72.0672 -32.5469 -42.0253 -32.5469 -22.0874 GPRESSAVG: 481800 -38.542 4.13304 -42.965 3.85123 72.7053 -33.1301 -41.7594 -32.2875 -22.3936 TIMING: 481800 CPU: 1425.32, 0.00291496/step Wall: 1425.32, 0.00291496/step, 3.65844 hours remaining, 204.304688 MB of memory in use. ENERGY: 481800 754.7662 2117.3615 1952.9372 128.0485 -206131.8614 17744.8382 0.0000 0.0000 34390.9799 -149042.9299 300.3450 -183433.9099 -148942.8598 299.2943 -135.8620 -103.1148 558765.2026 3.9889 3.9232 PRESSURE: 482000 -57.2045 6.69422 139.222 6.69492 296.325 118.442 139.221 118.441 2.12702 GPRESSURE: 482000 -54.1305 12.7009 105.083 -3.05961 330.217 137.892 162.57 64.2719 46.9935 PRESSAVG: 482000 -5.35926 -49.6569 -26.0905 -49.6569 68.6771 -21.6865 -26.0905 -21.6866 -23.3313 GPRESSAVG: 482000 -4.66633 -49.3935 -24.1328 -51.7863 69.3056 -21.3156 -28.1448 -20.9721 -24.525 TIMING: 482000 CPU: 1425.91, 0.00293152/step Wall: 1425.91, 0.00293152/step, 3.67906 hours remaining, 204.304688 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: 482000 706.9696 2093.7641 1960.7033 117.8940 -205992.7208 17785.5888 0.0000 0.0000 34399.2445 -148928.5565 300.4172 -183327.8010 -148829.5560 299.8486 80.4158 107.6933 557707.9282 13.3288 13.3714 PRESSURE: 482200 -17.2083 -23.6416 141.173 -23.6419 -95.7304 40.6796 141.172 40.6812 -160.079 GPRESSURE: 482200 34.3779 -24.969 109.702 -37.594 -79.1819 88.7818 80.0522 -24.568 -136.531 PRESSAVG: 482200 24.9734 -30.1577 1.57449 -30.1575 -17.4545 -11.4981 1.57449 -11.4981 13.0345 GPRESSAVG: 482200 24.4846 -32.0396 1.63964 -28.912 -18.3513 -9.65068 2.26589 -12.2941 13.965 TIMING: 482200 CPU: 1426.5, 0.00295707/step Wall: 1426.5, 0.00295707/step, 3.71096 hours remaining, 204.304688 MB of memory in use. ENERGY: 482200 749.5816 2123.3894 1938.8305 115.9917 -205928.6701 17596.1081 0.0000 0.0000 34541.0701 -148863.6987 301.6558 -183404.7688 -148766.4338 300.1807 -91.0058 -60.4452 558391.1331 6.8511 6.6994 PRESSURE: 482400 39.1161 113.9 -42.7249 113.9 -47.9982 19.9384 -42.7243 19.9386 -267.791 GPRESSURE: 482400 38.7153 103.452 8.69826 182.191 -1.47715 2.80418 -79.1185 54.3149 -224.047 PRESSAVG: 482400 14.7157 27.3795 -40.3135 27.3795 -15.7004 -74.6005 -40.3136 -74.6005 13.0845 GPRESSAVG: 482400 14.5749 29.1633 -40.5477 27.9463 -15.1165 -75.8721 -40.1215 -74.5411 12.8845 TIMING: 482400 CPU: 1427.09, 0.00293296/step Wall: 1427.09, 0.00293296/step, 3.68053 hours remaining, 204.304688 MB of memory in use. ENERGY: 482400 763.8644 2094.6502 1935.7855 119.1389 -205766.0359 17644.6029 0.0000 0.0000 34354.8409 -148853.1532 300.0294 -183207.9941 -148758.9467 300.7239 -92.2244 -62.2698 558869.7863 4.0333 4.1143 PRESSURE: 482600 -146.037 70.8 -288.821 70.7986 -145.874 46.9046 -288.822 46.906 10.8903 GPRESSURE: 482600 -107.808 54.6265 -212.698 71.1213 -79.7554 1.84603 -256.161 52.5594 0.224541 PRESSAVG: 482600 9.03962 -14.8383 4.56197 -14.8382 -19.9512 -53.1935 4.56203 -53.1936 9.04755 GPRESSAVG: 482600 9.52504 -16.0045 4.43968 -16.4946 -19.865 -54.0911 3.08736 -52.4162 8.43753 TIMING: 482600 CPU: 1427.67, 0.00293798/step Wall: 1427.67, 0.00293798/step, 3.68668 hours remaining, 204.304688 MB of memory in use. ENERGY: 482600 781.2110 2024.1066 1929.3716 114.4837 -206015.2389 17686.8819 0.0000 0.0000 34367.7853 -149111.3987 300.1424 -183479.1840 -149014.7015 299.6823 -93.6735 -62.4462 557023.7563 -0.6214 -0.6341 PRESSURE: 482800 84.1055 8.60289 27.4575 8.60057 219.223 64.7183 27.4572 64.7196 127.093 GPRESSURE: 482800 134.363 40.1842 35.3738 19.8395 212.41 173.2 75.8937 -2.07823 167.3 PRESSAVG: 482800 27.5769 13.6206 58.2185 13.6205 -11.4809 -52.0327 58.2186 -52.0328 -4.27773 GPRESSAVG: 482800 28.3753 12.3778 57.1657 16.1894 -12.5908 -50.1421 59.9208 -52.7714 -4.40322 TIMING: 482800 CPU: 1428.26, 0.00293289/step Wall: 1428.26, 0.00293289/step, 3.68013 hours remaining, 204.304688 MB of memory in use. ENERGY: 482800 735.9316 2079.8070 1947.1207 109.8796 -206214.1469 17972.4769 0.0000 0.0000 34268.4778 -149100.4533 299.2751 -183368.9311 -149001.4998 300.2417 143.4736 171.3577 556991.1781 3.9394 3.7938 PRESSURE: 483000 21.958 -11.5915 51.1956 -11.5925 167.545 -6.39714 51.196 -6.39669 294.18 GPRESSURE: 483000 111.839 12.884 -120.571 13.7241 157.331 -12.1295 111.414 5.95733 319.185 PRESSAVG: 483000 -31.5962 -7.61711 27.6751 -7.61706 14.6529 -47.5665 27.675 -47.5665 64.9026 GPRESSAVG: 483000 -32.8408 -5.55431 29.4325 -9.14188 14.6906 -49.2802 26.6913 -47.7369 66.236 TIMING: 483000 CPU: 1428.85, 0.00295353/step Wall: 1428.85, 0.00295353/step, 3.70586 hours remaining, 204.371094 MB of memory in use. ENERGY: 483000 741.9857 2049.8351 1940.2571 123.2974 -206423.3849 17949.0826 0.0000 0.0000 34363.8156 -149255.1114 300.1077 -183618.9269 -149157.2015 299.1893 161.2278 196.1187 556143.1899 15.9864 16.0286 PRESSURE: 483200 -263.982 -92.3737 25.2808 -92.3736 -136.726 9.47154 25.282 9.47256 -34.9652 GPRESSURE: 483200 -138.039 -16.8225 1.09711 -92.973 -138.491 66.0903 22.9316 116.464 -66.1209 PRESSAVG: 483200 37.6564 29.8947 -33.37 29.8947 37.0119 -14.0941 -33.3701 -14.094 -52.6484 GPRESSAVG: 483200 37.1395 28.9576 -32.5655 30.2872 36.9918 -14.56 -33.7584 -13.2963 -52.5184 TIMING: 483200 CPU: 1429.44, 0.00294299/step Wall: 1429.44, 0.00294299/step, 3.69248 hours remaining, 204.371094 MB of memory in use. ENERGY: 483200 734.4370 2080.7504 1919.1005 115.8333 -206112.7100 17514.1436 0.0000 0.0000 34461.6432 -149286.8019 300.9621 -183748.4451 -149188.1690 299.1911 -145.2245 -114.2170 557340.3741 7.3400 7.2043 PRESSURE: 483400 -14.5707 -47.6735 -108.703 -47.6727 188.867 54.4662 -108.702 54.4681 78.3841 GPRESSURE: 483400 52.7006 -73.4595 -188.23 -10.9315 187.002 28.6944 -88.7943 23.8856 103.815 PRESSAVG: 483400 -73.2264 -44.5972 -40.1757 -44.5973 45.4638 34.3762 -40.1757 34.3762 1.33336 GPRESSAVG: 483400 -71.4066 -45.7854 -41.787 -45.2688 44.7258 34.8314 -40.5483 34.8957 -0.209715 TIMING: 483400 CPU: 1430.03, 0.00295508/step Wall: 1430.03, 0.00295508/step, 3.70748 hours remaining, 204.371094 MB of memory in use. ENERGY: 483400 737.4223 2090.0646 1951.7799 108.7849 -206199.2755 17872.5821 0.0000 0.0000 34294.2654 -149144.3763 299.5003 -183438.6417 -149049.2274 299.0014 84.2269 114.5060 556445.1515 -8.8097 -8.9635 PRESSURE: 483600 -29.6776 -4.17981 83.8496 -4.17994 265.866 -280.084 83.8481 -280.083 210.791 GPRESSURE: 483600 -11.8983 -65.8303 70.3555 -20.5574 321.942 -222.632 95.243 -250.134 229.422 PRESSAVG: 483600 -39.5015 -9.47709 -10.5406 -9.47709 41.1634 0.0228687 -10.5407 0.0228319 -15.1573 GPRESSAVG: 483600 -39.4798 -8.07626 -10.414 -10.7014 40.6414 1.43081 -9.97874 -0.506822 -15.069 TIMING: 483600 CPU: 1430.62, 0.00296331/step Wall: 1430.62, 0.00296331/step, 3.71763 hours remaining, 204.371094 MB of memory in use. ENERGY: 483600 723.1004 2095.9222 1973.4771 113.7238 -206218.3120 17863.0047 0.0000 0.0000 34291.7451 -149157.3387 299.4783 -183449.0838 -149061.1912 299.6180 148.9931 179.8217 556069.2988 -4.4985 -4.6358 PRESSURE: 483800 -25.0914 28.9719 41.3386 28.972 6.36409 24.802 41.34 24.8022 196.706 GPRESSURE: 483800 -55.6989 114.415 65.4508 -16.3991 51.6502 56.4712 -117.967 -6.1608 259.112 PRESSAVG: 483800 6.68157 -51.9619 -18.2358 -51.962 12.6625 -5.85773 -18.2358 -5.85778 -14.2063 GPRESSAVG: 483800 4.22847 -53.0123 -16.3909 -50.6371 14.3136 -5.58005 -20.4832 -6.21755 -13.8411 TIMING: 483800 CPU: 1431.22, 0.00296084/step Wall: 1431.22, 0.00296084/step, 3.71437 hours remaining, 204.371094 MB of memory in use. ENERGY: 483800 708.0657 2060.7217 1945.4174 117.6047 -205968.5706 17785.5797 0.0000 0.0000 34289.0714 -149062.1098 299.4550 -183351.1813 -148962.4616 299.4912 59.3264 85.0210 556236.1129 1.7126 1.5670 PRESSURE: 484000 -12.4537 58.7041 -147.13 58.7033 -136.949 35.6028 -147.13 35.6012 48.9032 GPRESSURE: 484000 59.9683 92.5541 -251.496 58.3112 -81.246 26.9621 -147.982 29.2787 8.61052 PRESSAVG: 484000 26.2061 9.16474 27.4366 9.16473 11.3615 0.746411 27.4365 0.746505 -10.4468 GPRESSAVG: 484000 27.1116 10.3065 27.6347 8.65787 11.5392 -0.398929 29.3181 0.63203 -11.9822 TIMING: 484000 CPU: 1431.81, 0.00298272/step Wall: 1431.81, 0.00298272/step, 3.74166 hours remaining, 204.371094 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: 484000 735.7170 2054.9063 1940.8041 101.1288 -205782.6749 17617.3610 0.0000 0.0000 34398.5623 -148934.1955 300.4112 -183332.7577 -148837.7844 300.0749 -33.4998 -4.2224 557198.8149 9.0403 8.8895 PRESSURE: 484200 45.3796 -28.3418 52.6245 -28.3413 131.631 68.329 52.6243 68.3306 230.041 GPRESSURE: 484200 84.9917 -13.7337 90.1026 -1.80816 153.596 209.685 -49.3056 -24.9046 272.7 PRESSAVG: 484200 -58.2031 3.30131 -19.2469 3.30126 -6.66984 23.8589 -19.247 23.859 60.7967 GPRESSAVG: 484200 -57.8672 3.53379 -20.3038 3.53194 -7.31689 22.1071 -20.5241 23.5144 61.8098 TIMING: 484200 CPU: 1432.4, 0.00296495/step Wall: 1432.4, 0.00296495/step, 3.7192 hours remaining, 204.371094 MB of memory in use. ENERGY: 484200 724.2067 2067.2000 1932.0130 106.8362 -206168.9929 18119.6955 0.0000 0.0000 34378.7473 -148840.2943 300.2382 -183219.0416 -148747.5282 299.6805 135.6838 170.4294 557848.7892 -1.3587 -1.1248 LDB: ============= START OF LOAD BALANCING ============== 1435.83 LDB: ============== END OF LOAD BALANCING =============== 1435.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1435.83 LDB: ============= START OF LOAD BALANCING ============== 1436.13 LDB: Largest compute 4848 load 0.030754 is 26.1% of average load 0.117772 LDB: Average compute 0.001729 is 1.5% of average load 0.117772 LDB: TIME 1436.13 LOAD: AVG 0.117772 MAX 0.197501 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.328 MB LDB: TIME 1436.13 LOAD: AVG 0.117772 MAX 0.197501 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.332 MB LDB: TIME 1436.13 LOAD: AVG 0.117772 MAX 0.197501 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1436.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1436.14 PRESSURE: 484400 93.6891 -30.8328 -28.4471 -30.8318 3.56854 -51.601 -28.4456 -51.5991 -107.537 GPRESSURE: 484400 102.479 -14.4568 -55.6443 -78.709 31.3456 -77.5424 -35.274 -31.4223 -54.2658 PRESSAVG: 484400 -6.93226 -21.636 -17.7642 -21.636 39.6687 -22.1808 -17.7642 -22.1809 -24.6625 GPRESSAVG: 484400 -6.49901 -23.0268 -17.1168 -21.3759 38.3641 -20.8146 -18.4032 -21.7492 -23.3297 TIMING: 484400 CPU: 1433.01, 0.00301837/step Wall: 1433.01, 0.00301837/step, 3.78604 hours remaining, 204.480469 MB of memory in use. ENERGY: 484400 739.7749 2046.1618 1954.8122 106.6134 -206015.4924 17784.8992 0.0000 0.0000 34397.1298 -148986.1011 300.3987 -183383.2309 -148892.3748 299.7399 -3.4264 26.5197 556783.9864 2.6913 2.8451 PRESSURE: 484600 -194.686 72.1749 -66.7552 72.1751 95.0776 -88.5105 -66.7543 -88.5102 145.724 GPRESSURE: 484600 -127.084 95.0165 -64.3993 101.05 142.004 -71.8974 -20.0907 -86.1212 117.632 PRESSAVG: 484600 -27.4833 9.84495 -3.7874 9.84493 15.6962 59.2234 -3.78743 59.2236 29.645 GPRESSAVG: 484600 -28.2133 10.5767 -1.34949 11.1499 16.4397 58.1888 -3.77902 59.5629 29.5715 TIMING: 484600 CPU: 1433.6, 0.00296887/step Wall: 1433.6, 0.00296887/step, 3.72378 hours remaining, 204.480469 MB of memory in use. ENERGY: 484600 745.2959 2074.1971 1907.8595 121.0751 -205530.6944 17590.5166 0.0000 0.0000 34032.3921 -149059.3581 297.2133 -183091.7502 -148968.3003 299.7326 15.3718 44.1843 557317.2633 5.9526 5.9326 PRESSURE: 484800 -12.3398 41.0324 328.308 41.0328 -143.851 -41.572 328.308 -41.5714 -173.795 GPRESSURE: 484800 24.8214 74.2361 227.965 68.3204 -90.5059 -30.1315 295.247 -84.583 -177.15 PRESSAVG: 484800 58.41 21.3469 29.3055 21.3469 -47.6403 15.062 29.3055 15.062 -8.19806 GPRESSAVG: 484800 58.4321 21.7979 27.4848 19.8369 -46.6435 15.927 27.6342 14.7193 -9.08458 TIMING: 484800 CPU: 1434.2, 0.00297768/step Wall: 1434.2, 0.00297768/step, 3.73467 hours remaining, 204.667969 MB of memory in use. ENERGY: 484800 753.8170 2101.5879 1959.9459 115.3262 -205804.0497 17580.7724 0.0000 0.0000 34431.5563 -148861.0439 300.6993 -183292.6002 -148769.9378 299.6726 -109.9952 -80.9447 557901.1559 0.8572 0.9014 PRESSURE: 485000 144.36 -11.2068 -79.3757 -11.2072 223.945 71.0867 -79.376 71.0871 51.8643 GPRESSURE: 485000 188.693 28.1634 -116.449 43.3238 218.984 6.68817 -61.753 62.6535 107.606 PRESSAVG: 485000 -6.54067 -8.25547 44.5687 -8.25544 -31.5945 3.5559 44.5686 3.55597 15.4208 GPRESSAVG: 485000 -6.46389 -8.60561 41.6839 -7.33491 -32.2224 2.12909 48.0001 1.69317 15.8773 TIMING: 485000 CPU: 1434.79, 0.00296632/step Wall: 1434.79, 0.00296632/step, 3.72026 hours remaining, 204.667969 MB of memory in use. ENERGY: 485000 772.5305 2089.5060 1962.5026 112.8960 -205753.8048 17941.9313 0.0000 0.0000 34188.7102 -148685.7283 298.5785 -182874.4385 -148592.5776 300.5568 140.0565 171.7610 558203.9740 -7.5715 -7.6030 PRESSURE: 485200 18.2027 -42.1937 -10.5788 -42.1935 34.8695 149.148 -10.5785 149.148 77.6313 GPRESSURE: 485200 85.1833 -3.54287 -98.7765 -24.7369 56.0596 173.862 118.825 62.3983 93.0849 PRESSAVG: 485200 -18.5273 16.134 -46.0906 16.1341 31.398 30.8703 -46.0906 30.8704 -56.1805 GPRESSAVG: 485200 -18.9694 18.9291 -42.7467 15.7682 31.4626 33.0428 -47.6732 32.5471 -55.624 TIMING: 485200 CPU: 1435.38, 0.00296445/step Wall: 1435.38, 0.00296445/step, 3.71775 hours remaining, 204.667969 MB of memory in use. ENERGY: 485200 711.4564 2084.3753 1982.6025 118.0717 -205662.1498 17862.6100 0.0000 0.0000 34348.4584 -148554.5755 299.9736 -182903.0339 -148454.2226 300.8149 43.5678 78.1093 559082.9761 -14.4366 -14.3769 PRESSURE: 485400 -265.115 5.49122 -122.088 5.49156 71.0192 -41.8439 -122.089 -41.8461 255.914 GPRESSURE: 485400 -171.806 11.486 -177.126 49.9247 56.683 -97.2979 -38.069 17.1432 263.732 PRESSAVG: 485400 20.8688 31.5614 -1.02797 31.5615 -38.1181 -39.5906 -1.02798 -39.5907 4.36916 GPRESSAVG: 485400 20.4258 30.536 -1.80764 29.455 -36.7926 -40.6371 0.0230417 -39.7258 3.33796 TIMING: 485400 CPU: 1435.98, 0.00297195/step Wall: 1435.98, 0.00297195/step, 3.72698 hours remaining, 204.667969 MB of memory in use. ENERGY: 485400 734.7207 2077.1518 1945.7460 109.4245 -205626.7190 17773.6641 0.0000 0.0000 34430.6077 -148555.4042 300.6911 -182986.0119 -148458.6079 300.6417 20.6060 49.5362 559769.8483 -4.2934 -4.3429 PRESSURE: 485600 -324.706 -73.879 144.383 -73.8799 50.8778 -32.0192 144.383 -32.0192 -160.602 GPRESSURE: 485600 -228.827 -48.7558 70.0345 -121.097 16.0023 24.3982 227.972 5.69663 -121.615 PRESSAVG: 485600 -72.7854 24.4603 -3.19855 24.4603 79.0605 -20.2348 -3.19848 -20.2348 20.4486 GPRESSAVG: 485600 -71.2732 23.4365 -4.37133 25.9787 77.9452 -20.5231 -4.51942 -19.0241 20.424 TIMING: 485600 CPU: 1436.57, 0.00298113/step Wall: 1436.57, 0.00298113/step, 3.73834 hours remaining, 204.871094 MB of memory in use. ENERGY: 485600 774.6110 2088.9390 1925.8734 121.3354 -205816.5124 17771.7612 0.0000 0.0000 34372.9136 -148761.0789 300.1872 -183133.9926 -148666.0994 300.4842 -144.8100 -111.4799 560410.1842 8.9079 9.0320 PRESSURE: 485800 240.757 267.051 -75.381 267.05 -83.0226 97.6497 -75.3802 97.6499 -176.004 GPRESSURE: 485800 247.097 178.868 -77.2026 234.876 -46.2017 121.742 -28.135 40.2047 -120.052 PRESSAVG: 485800 15.9578 51.3432 12.0769 51.3433 48.525 -9.10161 12.0769 -9.10151 -79.5681 GPRESSAVG: 485800 14.8418 51.354 11.9902 50.2605 47.0392 -7.68826 12.3735 -11.4526 -77.4771 TIMING: 485800 CPU: 1437.17, 0.00297119/step Wall: 1437.17, 0.00297119/step, 3.7257 hours remaining, 204.871094 MB of memory in use. ENERGY: 485800 720.9049 2116.6509 1964.3698 112.2492 -206512.4877 18207.9440 0.0000 0.0000 34434.5729 -148955.7960 300.7257 -183390.3689 -148860.3501 300.0461 -6.0900 26.9480 559241.5279 -5.0284 -5.1987 PRESSURE: 486000 -151.509 39.0672 64.2693 39.0669 -103.575 -20.0928 64.2694 -20.0927 41.3724 GPRESSURE: 486000 -91.455 65.2772 169.621 31.1323 -51.2727 -83.1834 6.2544 2.74194 41.8636 PRESSAVG: 486000 2.04413 11.954 -3.2743 11.9541 -23.285 26.7036 -3.27428 26.7036 25.8511 GPRESSAVG: 486000 2.26399 13.9373 -1.20867 11.8163 -21.2131 24.5023 -2.54012 29.6796 23.8853 TIMING: 486000 CPU: 1437.76, 0.00296094/step Wall: 1437.76, 0.00296094/step, 3.71269 hours remaining, 204.871094 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: 486000 757.3581 2106.7729 1976.0919 116.1652 -205632.1984 17790.6353 0.0000 0.0000 33946.5277 -148938.6472 296.4635 -182885.1749 -148848.9751 300.1982 -71.2373 -33.6214 560637.3113 1.5367 1.6454 PRESSURE: 486200 -107.85 -42.3444 -134.585 -42.3443 -197.311 -212.226 -134.585 -212.226 131.171 GPRESSURE: 486200 -113.168 -136.113 -101.31 -85.9485 -180.81 -155.581 -120.51 -226.458 216.959 PRESSAVG: 486200 35.8775 -14.197 -3.30889 -14.197 -38.8818 -19.175 -3.30879 -19.1749 10.8991 GPRESSAVG: 486200 35.8856 -16.0973 -2.8942 -13.9225 -39.1784 -15.2245 -1.93639 -22.4956 10.6631 TIMING: 486200 CPU: 1438.36, 0.00298124/step Wall: 1438.36, 0.00298124/step, 3.73798 hours remaining, 204.871094 MB of memory in use. ENERGY: 486200 737.0591 2077.8605 1947.3996 147.0003 -205793.2215 17717.0953 0.0000 0.0000 34554.3304 -148612.4762 301.7716 -183166.8066 -148522.1273 299.7449 -57.9967 -25.6728 558969.6264 2.6316 2.4568 PRESSURE: 486400 130.038 -167.951 -42.6435 -167.952 -35.4704 -53.9632 -42.643 -53.9638 191.832 GPRESSURE: 486400 135.674 -195.719 -12.9321 -201.284 18.3136 -41.9027 47.1545 -77.1291 221.225 PRESSAVG: 486400 -0.429419 -8.37543 23.4716 -8.37546 -11.991 1.73641 23.4716 1.73647 48.5834 GPRESSAVG: 486400 1.10296 -9.22676 21.4322 -6.61158 -12.0601 -0.981125 22.8267 2.33133 47.4483 TIMING: 486400 CPU: 1438.95, 0.00294399/step Wall: 1438.95, 0.00294399/step, 3.69111 hours remaining, 204.871094 MB of memory in use. ENERGY: 486400 747.9200 2157.8407 1922.1851 103.5796 -205816.2727 17811.0917 0.0000 0.0000 34430.0342 -148643.6214 300.6861 -183073.6557 -148555.4217 301.1634 95.4668 125.0710 559347.8140 12.0543 12.1637 PRESSURE: 486600 297.675 -51.2801 40.175 -51.28 115.497 -108.234 40.175 -108.235 265.662 GPRESSURE: 486600 294.671 65.3012 28.8431 -233.629 172.158 17.572 80.4484 -167.648 308.164 PRESSAVG: 486600 -38.5613 -23.8242 -7.36255 -23.8241 -12.9371 8.53775 -7.36249 8.53773 -6.68137 GPRESSAVG: 486600 -40.3302 -23.7706 -7.89274 -25.0666 -12.8251 9.28934 -7.58461 9.23173 -5.43199 TIMING: 486600 CPU: 1439.53, 0.00294105/step Wall: 1439.53, 0.00294105/step, 3.68726 hours remaining, 204.871094 MB of memory in use. ENERGY: 486600 735.3263 2129.1577 1946.7025 109.9146 -205627.5999 17894.6723 0.0000 0.0000 34291.9577 -148519.8687 299.4802 -182811.8264 -148429.7941 300.6369 226.2781 258.3312 558345.4032 -19.3932 -19.5291 PRESSURE: 486800 -89.2948 135.522 -8.78436 135.523 95.4243 -62.4283 -8.78344 -62.429 50.9179 GPRESSURE: 486800 -58.5462 147.989 44.1682 141.074 114.783 8.92821 -5.25688 -113.675 86.5808 PRESSAVG: 486800 0.207371 -13.6034 46.8733 -13.6034 29.6264 -24.2687 46.8733 -24.2689 9.7398 GPRESSAVG: 486800 0.716385 -13.8048 47.3593 -12.2316 28.9162 -25.6775 46.6534 -23.3897 10.2152 TIMING: 486800 CPU: 1440.12, 0.0029514/step Wall: 1440.12, 0.0029514/step, 3.70007 hours remaining, 204.871094 MB of memory in use. ENERGY: 486800 781.9658 2141.4619 1941.4858 105.3595 -205490.8946 17642.8642 0.0000 0.0000 34401.6018 -148476.1556 300.4377 -182877.7574 -148380.6933 301.3984 19.0158 47.6060 558495.3904 13.1912 13.2826 PRESSURE: 487000 403.371 -116.84 -76.6662 -116.841 -28.0062 58.6703 -76.6668 58.6701 76.8017 GPRESSURE: 487000 406.028 -134.112 -59.9687 -98.6243 -31.7709 -59.1242 -96.7678 111.579 180.946 PRESSAVG: 487000 -9.38292 -18.4103 -8.3813 -18.4102 9.57837 36.7726 -8.38135 36.7725 5.3319 GPRESSAVG: 487000 -9.92934 -18.4039 -9.11648 -19.3764 10.3646 35.3443 -8.76054 39.0005 5.05452 TIMING: 487000 CPU: 1440.72, 0.00295298/step Wall: 1440.72, 0.00295298/step, 3.70189 hours remaining, 204.871094 MB of memory in use. ENERGY: 487000 758.4396 2132.8898 1951.8266 118.9461 -206094.2058 18102.6402 0.0000 0.0000 34441.6190 -148587.8445 300.7872 -183029.4635 -148496.0481 300.3941 150.7223 185.0676 559124.1803 1.8425 1.8299 PRESSURE: 487200 167.967 -263.794 84.2742 -263.795 370.614 28.2689 84.2746 28.2684 143.533 GPRESSURE: 487200 280.438 -238.872 118.02 -238.975 428.941 26.9752 -26.0291 60.5656 70.8335 PRESSAVG: 487200 -37.1793 -17.638 35.0066 -17.638 6.27602 -6.31749 35.0066 -6.31747 23.1374 GPRESSAVG: 487200 -37.6807 -15.2908 35.0559 -20.0991 6.40608 -4.20083 35.4627 -8.99745 22.7832 TIMING: 487200 CPU: 1441.31, 0.00295827/step Wall: 1441.31, 0.00295827/step, 3.70836 hours remaining, 204.871094 MB of memory in use. ENERGY: 487200 734.8532 2032.7368 1954.8422 112.8800 -206357.9988 18257.6890 0.0000 0.0000 34537.0831 -148727.9144 301.6209 -183264.9975 -148638.7265 300.7705 227.3711 260.0707 558485.0739 -2.5886 -2.8305 PRESSURE: 487400 157.133 184.955 88.4541 184.955 165.654 62.8809 88.4545 62.8797 59.6635 GPRESSURE: 487400 146.933 148.235 176.025 176.418 237.761 -53.776 66.9682 125.274 93.4953 PRESSAVG: 487400 -9.13396 -48.8735 46.8666 -48.8736 -1.8899 22.3131 46.8666 22.313 -6.50247 GPRESSAVG: 487400 -7.88013 -51.8318 46.3774 -48.0041 -2.06077 23.0892 47.1424 24.0951 -7.05527 TIMING: 487400 CPU: 1441.9, 0.00297244/step Wall: 1441.9, 0.00297244/step, 3.72596 hours remaining, 204.871094 MB of memory in use. ENERGY: 487400 768.1422 2093.7032 1979.1597 120.1982 -206675.5453 18384.5127 0.0000 0.0000 34613.6663 -148716.1629 302.2898 -183329.8292 -148612.3547 300.6511 127.4835 159.3962 560360.1253 -5.8421 -5.6654 PRESSURE: 487600 -131.777 -31.6677 -3.70686 -31.6667 -175.039 -106.992 -3.70768 -106.992 -199.166 GPRESSURE: 487600 -120.418 22.4549 28.705 -75.2955 -139.436 -112.002 -63.761 -121.368 -147.111 PRESSAVG: 487600 3.16079 38.0478 47.3597 38.0479 -49.4828 -11.3647 47.3599 -11.3647 26.0984 GPRESSAVG: 487600 3.49736 37.3847 49.3726 40.7789 -49.4597 -11.6213 45.7365 -12.9008 25.7408 TIMING: 487600 CPU: 1442.49, 0.00294836/step Wall: 1442.49, 0.00294836/step, 3.6956 hours remaining, 204.871094 MB of memory in use. ENERGY: 487600 750.5797 2100.8867 1982.7641 111.5419 -205975.6756 17652.1782 0.0000 0.0000 34538.3546 -148839.3703 301.6320 -183377.7250 -148740.0079 301.0574 -168.6607 -135.6550 560442.8499 -6.7412 -6.7405 PRESSURE: 487800 30.8459 162.499 -115.135 162.5 275.452 0.280108 -115.135 0.278907 -110.508 GPRESSURE: 487800 13.1262 141.557 -149.988 96.5078 343.95 -52.2191 -43.3078 5.45095 -58.5781 PRESSAVG: 487800 -35.1768 18.104 5.80093 18.104 -10.8809 -19.6627 5.80085 -19.6626 58.7535 GPRESSAVG: 487800 -36.4026 21.0265 6.60494 14.9823 -12.1093 -19.6094 7.65347 -19.8883 60.8728 TIMING: 487800 CPU: 1443.08, 0.0029623/step Wall: 1443.08, 0.0029623/step, 3.71292 hours remaining, 204.871094 MB of memory in use. ENERGY: 487800 748.5441 2117.1506 1972.9332 120.2459 -206210.2574 17781.6187 0.0000 0.0000 34629.6102 -148840.1547 302.4290 -183469.7649 -148745.0973 300.2638 65.2634 99.4992 556213.0705 4.2319 4.1203 PRESSURE: 488000 236.264 111.8 121.933 111.8 200.369 13.4973 121.932 13.4998 314.494 GPRESSURE: 488000 305.611 143.605 94.0079 141.634 231.158 9.02568 81.059 48.5636 315.748 PRESSAVG: 488000 -42.5501 29.1968 -39.2256 29.1968 67.1679 -12.2867 -39.2256 -12.2867 -43.004 GPRESSAVG: 488000 -41.8098 28.8832 -39.5497 30.2379 68.1733 -11.8228 -40.6607 -12.9328 -45.2193 TIMING: 488000 CPU: 1443.67, 0.00294648/step Wall: 1443.67, 0.00294648/step, 3.69292 hours remaining, 204.871094 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: 488000 727.4656 2026.2066 1979.8522 119.0551 -206418.3696 18197.8160 0.0000 0.0000 34533.8352 -148834.1389 301.5926 -183367.9740 -148733.8886 300.8249 250.3757 284.1725 557100.5811 -6.1287 -6.2853 PRESSURE: 488200 -49.1562 -73.2161 92.7835 -73.2167 -222.088 85.6036 92.7846 85.6019 -52.4989 GPRESSURE: 488200 -21.4253 -102.182 123.575 -37.2625 -228.981 167.322 115.868 74.652 31.369 PRESSAVG: 488200 -12.1172 29.5211 48.0589 29.5211 -6.65748 -19.8261 48.059 -19.826 53.8744 GPRESSAVG: 488200 -10.9065 29.037 47.2299 30.0239 -8.1037 -22.7019 51.3814 -18.2415 54.0518 TIMING: 488200 CPU: 1444.26, 0.00294945/step Wall: 1444.26, 0.00294945/step, 3.69648 hours remaining, 204.871094 MB of memory in use. ENERGY: 488200 778.0166 2116.1863 1961.1185 100.6713 -206001.2347 17718.6702 0.0000 0.0000 34264.2999 -149062.2719 299.2387 -183326.5718 -148974.2545 299.9890 -107.9144 -73.0123 558003.7250 11.6999 11.6806 LDB: ============= START OF LOAD BALANCING ============== 1447.69 LDB: ============== END OF LOAD BALANCING =============== 1447.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1447.69 LDB: ============= START OF LOAD BALANCING ============== 1447.99 LDB: Largest compute 4820 load 0.030018 is 25.5% of average load 0.117727 LDB: Average compute 0.001719 is 1.5% of average load 0.117727 LDB: TIME 1447.99 LOAD: AVG 0.117727 MAX 0.193346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.301 MB LDB: TIME 1447.99 LOAD: AVG 0.117727 MAX 0.193346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.504 MB LDB: TIME 1447.99 LOAD: AVG 0.117727 MAX 0.193346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1447.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1448 PRESSURE: 488400 123.598 -24.3431 -100.252 -24.3425 -206.644 38.8767 -100.252 38.8778 118.929 GPRESSURE: 488400 156.045 -33.6146 -105.425 -12.9452 -183.256 50.1079 -73.6407 -36.0378 160.787 PRESSAVG: 488400 -54.6394 0.22282 9.39768 0.222837 -9.18564 6.8654 9.39771 6.86551 22.3873 GPRESSAVG: 488400 -56.2467 -0.797673 8.70101 -0.488826 -8.52843 7.41491 7.10472 6.77255 23.3878 TIMING: 488400 CPU: 1444.87, 0.00301513/step Wall: 1444.87, 0.00301513/step, 3.77863 hours remaining, 203.730469 MB of memory in use. ENERGY: 488400 745.3743 2131.4119 1963.4748 116.8384 -206595.0013 17990.2989 0.0000 0.0000 34377.8788 -149269.7244 300.2306 -183647.6031 -149170.1065 299.6586 11.9608 44.5255 557754.3396 -13.8126 -13.7958 PRESSURE: 488600 56.9086 -28.3961 89.8022 -28.3956 155.769 -104.05 89.8023 -104.051 76.3113 GPRESSURE: 488600 93.6037 -70.6555 -3.61552 9.1074 114.113 -33.9565 98.7795 -178.668 170.343 PRESSAVG: 488600 50.393 -25.0095 59.0327 -25.0094 -3.69633 -35.1547 59.0326 -35.1547 13.6809 GPRESSAVG: 488600 51.3339 -26.4251 57.1436 -23.8473 -3.31956 -32.5797 58.6065 -36.2856 12.9785 TIMING: 488600 CPU: 1445.45, 0.00293235/step Wall: 1445.45, 0.00293235/step, 3.67473 hours remaining, 203.730469 MB of memory in use. ENERGY: 488600 777.6378 2044.5770 1956.3874 118.0122 -206063.2925 17954.7674 0.0000 0.0000 34029.6972 -149182.2135 297.1898 -183211.9107 -149082.5200 299.7247 96.3297 126.0201 558640.5258 20.1258 20.3309 PRESSURE: 488800 79.0521 34.4768 -285.231 34.4774 -34.0679 15.2555 -285.231 15.2571 134.623 GPRESSURE: 488800 152.173 -2.88554 -295.195 39.6304 -4.08211 -13.7819 -261.942 9.12909 125.672 PRESSAVG: 488800 -22.1632 71.5759 -32.2442 71.5758 60.2986 22.8192 -32.2442 22.8193 -27.0925 GPRESSAVG: 488800 -22.6764 74.7358 -31.936 69.2501 60.6837 18.2419 -31.1056 25.9009 -26.8298 TIMING: 488800 CPU: 1446.04, 0.00295956/step Wall: 1446.04, 0.00295956/step, 3.70866 hours remaining, 203.730469 MB of memory in use. ENERGY: 488800 720.2341 2077.9161 1963.7008 104.7120 -206331.5114 17890.3574 0.0000 0.0000 34409.1114 -149165.4797 300.5033 -183574.5910 -149069.3093 299.4019 59.8690 91.2543 558344.8809 3.6810 3.7258 PRESSURE: 489000 -140.066 33.271 2.13881 33.2701 203.938 29.1995 2.13862 29.1996 33.274 GPRESSURE: 489000 -96.7174 99.5935 16.5268 -27.3637 190.135 66.2001 -10.0318 31.6941 109.643 PRESSAVG: 489000 -22.2991 -4.903 13.3017 -4.90293 77.1321 -15.5236 13.3017 -15.5235 -23.0695 GPRESSAVG: 489000 -21.9135 -7.04891 15.567 -5.5371 76.6567 -13.0682 11.7256 -17.3842 -23.4049 TIMING: 489000 CPU: 1446.64, 0.0029679/step Wall: 1446.64, 0.0029679/step, 3.71894 hours remaining, 203.730469 MB of memory in use. ENERGY: 489000 751.9120 2091.7892 1996.6246 104.2613 -206230.0513 17964.8821 0.0000 0.0000 34222.2484 -149098.3338 298.8714 -183320.5821 -148999.4800 299.8816 32.3822 67.6868 559113.6002 10.5878 10.4461 PRESSURE: 489200 -256.108 -13.0368 55.1459 -13.0363 82.1249 142.899 55.1461 142.899 -48.0218 GPRESSURE: 489200 -257.788 -49.8309 50.6463 -51.8157 125.175 58.3124 71.1405 171.58 5.18175 PRESSAVG: 489200 -6.45785 2.31571 44.7358 2.31578 -32.2513 -1.25071 44.7359 -1.25053 26.5519 GPRESSAVG: 489200 -7.05018 3.94588 43.7539 1.55464 -31.1405 -1.94757 45.9971 -0.920051 26.7612 TIMING: 489200 CPU: 1447.23, 0.00297108/step Wall: 1447.23, 0.00297108/step, 3.72277 hours remaining, 203.730469 MB of memory in use. ENERGY: 489200 761.4618 2089.9895 1934.7045 101.9831 -206256.3015 17762.7937 0.0000 0.0000 34343.8173 -149261.5516 299.9331 -183605.3688 -149168.0977 298.6617 -74.0016 -42.4772 557381.8527 -4.0524 -3.8098 PRESSURE: 489400 -95.1699 -138.807 1.17574 -138.807 55.5484 -4.67369 1.17496 -4.67428 197.279 GPRESSURE: 489400 -28.5518 -164.418 53.0765 -79.0647 105.372 137.003 -58.1747 -22.6402 175.768 PRESSAVG: 489400 -21.316 -22.2912 -24.9943 -22.2913 20.4293 -6.80338 -24.9943 -6.80355 51.3462 GPRESSAVG: 489400 -22.5307 -23.651 -25.4494 -21.5058 20.5857 -5.3935 -26.4664 -6.75514 52.4101 TIMING: 489400 CPU: 1447.82, 0.00293441/step Wall: 1447.82, 0.00293441/step, 3.67665 hours remaining, 203.730469 MB of memory in use. ENERGY: 489400 747.0859 2043.5315 1957.6258 113.1187 -206378.3663 18040.2101 0.0000 0.0000 34157.9627 -149318.8317 298.3100 -183476.7944 -149219.5857 298.7989 52.5526 84.1960 557181.6181 16.8198 16.8217 PRESSURE: 489600 -22.8086 96.3994 -169.013 96.3992 -39.5116 -68.6129 -169.012 -68.6114 -26.0422 GPRESSURE: 489600 6.41579 78.2968 -186.883 8.9647 30.001 -37.2224 -189.064 -95.9649 -32.8318 PRESSAVG: 489600 -75.1377 -36.6543 -35.5744 -36.6543 57.1035 -11.3836 -35.5743 -11.3837 16.8037 GPRESSAVG: 489600 -75.5095 -36.1079 -35.634 -35.2434 57.35 -10.5974 -35.2006 -11.8421 16.8272 TIMING: 489600 CPU: 1448.41, 0.00294916/step Wall: 1448.41, 0.00294916/step, 3.69497 hours remaining, 203.730469 MB of memory in use. ENERGY: 489600 755.4255 2055.6992 1958.9642 112.2614 -206441.0090 17875.0231 0.0000 0.0000 34218.6512 -149464.9844 298.8400 -183683.6356 -149367.8742 298.6640 -29.4541 1.1950 557213.8095 -0.4102 -0.4441 PRESSURE: 489800 -224.515 -59.7064 -100.697 -59.706 -204.84 -83.343 -100.699 -83.3421 -241.325 GPRESSURE: 489800 -168.971 -53.1742 -119.419 -86.2217 -163.888 -65.7383 -149.058 -124.325 -234.919 PRESSAVG: 489800 -40.5238 -37.4397 -21.5605 -37.4398 37.4773 -13.4394 -21.5605 -13.4393 18.762 GPRESSAVG: 489800 -39.151 -37.1048 -21.8333 -36.8015 36.5498 -13.559 -21.1596 -15.3454 18.4088 TIMING: 489800 CPU: 1449, 0.00295554/step Wall: 1449, 0.00295554/step, 3.7028 hours remaining, 203.730469 MB of memory in use. ENERGY: 489800 806.4047 2045.2193 1966.9044 107.5996 -206434.0580 17809.3131 0.0000 0.0000 34435.1328 -149263.4842 300.7306 -183698.6169 -149164.3970 298.7419 -223.5601 -189.2593 558213.9799 5.2385 5.2692 PRESSURE: 490000 -129.168 88.5473 -82.2636 88.5464 -183.142 -81.954 -82.2637 -81.9537 -39.1029 GPRESSURE: 490000 -142.47 49.1273 -38.2434 102.138 -129.033 -53.788 -106.7 -98.1154 8.40043 PRESSAVG: 490000 -66.4194 35.0938 -28.9334 35.0939 82.1996 -23.2894 -28.9335 -23.2894 -43.4203 GPRESSAVG: 490000 -67.0732 34.7637 -27.1386 36.4836 82.4599 -25.702 -28.5444 -21.3872 -43.1142 TIMING: 490000 CPU: 1449.59, 0.00296952/step Wall: 1449.59, 0.00296952/step, 3.72015 hours remaining, 203.933594 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: 490000 764.8993 2091.4904 1972.0442 116.9604 -205908.0663 17663.5233 0.0000 0.0000 34031.7493 -149267.3994 297.2077 -183299.1487 -149170.3642 298.9819 -117.1379 -87.7009 558498.9554 -9.2133 -9.2425 PRESSURE: 490200 49.534 -32.2236 -65.7032 -32.2235 -55.1593 -61.6319 -65.7034 -61.6315 -94.0349 GPRESSURE: 490200 38.55 -106.233 -11.2742 -43.9243 56.8713 -122.414 -78.5836 -29.2524 -95.5788 PRESSAVG: 490200 -56.471 28.8072 -42.3514 28.8071 27.6833 6.28181 -42.3513 6.28183 49.4125 GPRESSAVG: 490200 -55.0878 29.5624 -42.2722 27.4427 28.3105 9.76052 -43.9665 6.04928 47.8994 TIMING: 490200 CPU: 1450.19, 0.00297502/step Wall: 1450.19, 0.00297502/step, 3.72687 hours remaining, 203.933594 MB of memory in use. ENERGY: 490200 733.6229 2023.7891 1972.6563 119.9293 -206134.3213 17786.3800 0.0000 0.0000 34162.9945 -149334.9492 298.3539 -183497.9437 -149244.8031 298.8235 -33.2201 -0.0525 557800.7361 6.8749 7.0407 PRESSURE: 490400 31.5702 -17.8995 35.228 -17.8984 253.907 -29.952 35.228 -29.9523 -47.7904 GPRESSURE: 490400 95.8835 30.316 -1.7039 30.0986 280.532 45.5003 25.699 -38.0546 -44.8004 PRESSAVG: 490400 -43.0964 -8.60884 -17.6531 -8.60867 68.3036 -1.16974 -17.6531 -1.1698 6.90754 GPRESSAVG: 490400 -44.1266 -10.2908 -19.0934 -7.52796 68.6212 -2.2308 -15.5243 -1.01581 8.02045 TIMING: 490400 CPU: 1450.78, 0.0029776/step Wall: 1450.78, 0.0029776/step, 3.72994 hours remaining, 203.933594 MB of memory in use. ENERGY: 490400 747.2880 2105.6088 1942.8680 124.6355 -206861.5264 18103.7835 0.0000 0.0000 34376.9793 -149460.3632 300.2227 -183837.3426 -149356.9004 298.3139 79.2291 110.5383 558331.1927 10.7049 10.8383 PRESSURE: 490600 -210.802 46.9555 121.154 46.9552 155.029 -141.736 121.155 -141.735 113.662 GPRESSURE: 490600 -158.155 4.89874 -9.12672 78.1641 170.59 -117.158 161.38 -125.898 137.805 PRESSAVG: 490600 -63.456 11.2944 16.5526 11.2945 43.7994 -37.26 16.5527 -37.26 50.1284 GPRESSAVG: 490600 -61.7915 12.2134 16.2279 10.7169 43.0525 -37.2148 16.8432 -37.1046 49.9459 TIMING: 490600 CPU: 1451.38, 0.00295826/step Wall: 1451.38, 0.00295826/step, 3.70554 hours remaining, 203.933594 MB of memory in use. ENERGY: 490600 758.7705 2124.4673 1950.3396 111.4674 -206278.0670 17862.1111 0.0000 0.0000 34197.5855 -149273.3255 298.6560 -183470.9110 -149182.2715 298.6923 19.2962 50.0799 557721.7507 10.1573 10.4023 PRESSURE: 490800 240.42 156.399 175.763 156.399 208.448 -41.3306 175.762 -41.3324 -188.064 GPRESSURE: 490800 298.641 125.234 162.823 120.922 189.025 21.5598 217.871 -96.8393 -148.03 PRESSAVG: 490800 -55.6215 42.2723 38.1889 42.2724 108.359 -15.1826 38.1889 -15.1828 -51.6165 GPRESSAVG: 490800 -56.2913 43.5526 38.9904 39.7678 108.331 -15.3841 36.2562 -15.5115 -50.681 TIMING: 490800 CPU: 1451.97, 0.00295604/step Wall: 1451.97, 0.00295604/step, 3.7026 hours remaining, 203.933594 MB of memory in use. ENERGY: 490800 738.3784 2093.3295 1953.0585 111.9320 -206325.4605 17996.8182 0.0000 0.0000 34224.4343 -149207.5097 298.8905 -183431.9440 -149106.8910 299.4308 86.9347 113.2120 558291.3110 0.3736 0.4529 PRESSURE: 491000 -0.354917 52.4052 -105.765 52.4066 -95.462 -61.3328 -105.764 -61.3332 23.3237 GPRESSURE: 491000 4.82073 84.2617 -119.148 -2.65681 -39.7388 -17.1805 -117.023 -68.1231 58.1205 PRESSAVG: 491000 -18.7637 44.2581 14.2243 44.2582 82.9279 23.8956 14.2243 23.8956 -29.9177 GPRESSAVG: 491000 -18.1615 43.0389 12.0239 46.1976 83.3967 22.1518 15.9634 24.5631 -31.1364 TIMING: 491000 CPU: 1452.56, 0.00294502/step Wall: 1452.56, 0.00294502/step, 3.68864 hours remaining, 203.933594 MB of memory in use. ENERGY: 491000 763.5442 2175.9122 1973.1029 104.5571 -206490.5510 17898.8125 0.0000 0.0000 34301.2668 -149273.3552 299.5615 -183574.6220 -149182.4368 299.9261 -24.1644 7.7341 557154.8800 11.4155 11.3663 PRESSURE: 491200 179.212 16.7275 -284.107 16.7276 -143.571 42.8062 -284.106 42.8043 142.627 GPRESSURE: 491200 183.409 35.9821 -274.045 -13.5632 -108.015 41.3342 -282.179 15.089 194.104 PRESSAVG: 491200 52.9152 -2.36851 10.5704 -2.36861 -32.5425 23.9866 10.5705 23.9865 -19.276 GPRESSAVG: 491200 52.8043 -2.09061 11.5746 -1.90418 -33.1975 27.4947 9.33848 21.4678 -18.3022 TIMING: 491200 CPU: 1453.15, 0.00295174/step Wall: 1453.15, 0.00295174/step, 3.69689 hours remaining, 203.933594 MB of memory in use. ENERGY: 491200 761.2984 2128.8889 1953.4785 117.8709 -206412.2655 18139.5449 0.0000 0.0000 34111.5154 -149199.6685 297.9043 -183311.1840 -149106.9479 299.1749 59.4226 89.8329 557223.2008 0.3656 0.4348 PRESSURE: 491400 156.823 48.1227 -39.4379 48.1236 2.28176 0.146338 -39.4378 0.147802 69.6898 GPRESSURE: 491400 185.395 82.5564 -36.3758 70.5881 27.6108 19.1837 -46.9259 45.3411 95.6119 PRESSAVG: 491400 -29.151 23.4437 -22.5334 23.4437 24.2826 -34.7525 -22.5333 -34.7525 -37.3582 GPRESSAVG: 491400 -29.6122 22.486 -22.8371 23.3459 24.9369 -39.3849 -21.2904 -30.7315 -37.7222 TIMING: 491400 CPU: 1453.73, 0.0029386/step Wall: 1453.73, 0.0029386/step, 3.68027 hours remaining, 203.933594 MB of memory in use. ENERGY: 491400 739.4559 2131.2080 1957.8845 122.2089 -206205.0771 17994.0190 0.0000 0.0000 34204.7137 -149055.5871 298.7183 -183260.3008 -148963.5751 299.2741 76.2650 102.8725 556783.7633 -14.0755 -14.1325 PRESSURE: 491600 -187.127 -58.6238 -67.6661 -58.6256 -85.7672 104.87 -67.666 104.87 -192.381 GPRESSURE: 491600 -144.835 -88.3374 -125.435 -7.24452 -38.4506 65.6757 -48.5259 103.3 -183.632 PRESSAVG: 491600 -20.2336 16.7481 -10.6128 16.7482 33.6264 -3.85622 -10.6128 -3.85625 -13.7086 GPRESSAVG: 491600 -19.3761 18.0731 -9.656 17.3542 34.4707 -1.15814 -13.1777 -6.82179 -15.4349 TIMING: 491600 CPU: 1454.32, 0.00295077/step Wall: 1454.32, 0.00295077/step, 3.69534 hours remaining, 203.933594 MB of memory in use. ENERGY: 491600 798.1654 2104.6304 1957.0158 112.8491 -206144.0333 17839.7312 0.0000 0.0000 34561.0747 -148770.5667 301.8305 -183331.6414 -148671.4356 300.3568 -155.0919 -122.3059 559068.6817 -0.1052 -0.1134 PRESSURE: 491800 51.8596 -82.4028 -111.124 -82.4031 -131.246 251.175 -111.124 251.175 46.4998 GPRESSURE: 491800 73.9283 -52.4142 -76.8714 -108.764 -122.32 201.257 -114.295 239.773 99.411 PRESSAVG: 491800 -21.1526 -3.72012 -40.2296 -3.72019 42.0358 6.94486 -40.2296 6.9448 -27.9862 GPRESSAVG: 491800 -21.5905 -3.71452 -42.735 -3.28224 40.6553 6.10641 -38.4861 8.29965 -25.7711 TIMING: 491800 CPU: 1454.92, 0.00297011/step Wall: 1454.92, 0.00297011/step, 3.7194 hours remaining, 203.933594 MB of memory in use. ENERGY: 491800 779.7419 2066.0665 1993.0563 115.6568 -206248.1259 17938.6153 0.0000 0.0000 34429.5939 -148925.3953 300.6822 -183354.9892 -148827.1517 300.6410 -10.9624 17.0064 557914.0644 -2.3677 -2.2354 PRESSURE: 492000 -60.7504 -72.4064 47.5305 -72.406 -192.539 -44.0756 47.5305 -44.0756 115.163 GPRESSURE: 492000 -27.1098 -55.2733 23.7366 -73.679 -141.478 -18.988 70.488 84.7911 139.248 PRESSAVG: 492000 -24.0762 -38.3527 -10.2737 -38.3527 20.1693 -25.6243 -10.2737 -25.6244 -19.1487 GPRESSAVG: 492000 -24.7363 -37.1834 -8.80052 -39.8946 19.627 -27.3648 -11.2886 -24.8213 -18.7102 TIMING: 492000 CPU: 1455.51, 0.00297806/step Wall: 1455.51, 0.00297806/step, 3.7292 hours remaining, 203.933594 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: 492000 710.8595 2112.7195 1932.9499 112.5264 -205971.6677 17637.7132 0.0000 0.0000 34529.6175 -148935.2818 301.5557 -183464.8992 -148837.9993 300.0833 -46.0420 -9.7799 556844.2890 -7.6852 -7.9398 PRESSURE: 492200 5.5274 100.601 -130.464 100.599 -142.92 -20.478 -130.464 -20.4765 -166.412 GPRESSURE: 492200 62.1485 149.836 -74.6111 101.62 -78.8292 -53.1514 -203.274 -110.09 -186.553 PRESSAVG: 492200 57.9024 -49.3902 49.1779 -49.3902 33.302 35.3137 49.1779 35.3136 -61.6962 GPRESSAVG: 492200 57.7275 -51.5868 48.4216 -48.8028 35.1292 37.3436 53.0032 32.9402 -63.0939 TIMING: 492200 CPU: 1456.1, 0.00294874/step Wall: 1456.1, 0.00294874/step, 3.69232 hours remaining, 203.933594 MB of memory in use. ENERGY: 492200 749.5290 2117.8669 1943.9167 126.2576 -205923.8298 17552.0497 0.0000 0.0000 34742.0582 -148692.1517 303.4110 -183434.2099 -148607.1099 300.6741 -101.2682 -67.7445 556728.8226 9.8360 9.9210 LDB: ============= START OF LOAD BALANCING ============== 1459.53 LDB: ============== END OF LOAD BALANCING =============== 1459.53 LDB: =============== DONE WITH MIGRATION ================ 1459.53 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 1459.82 LDB: Largest compute 4848 load 0.030042 is 25.5% of average load 0.117815 LDB: Average compute 0.001735 is 1.5% of average load 0.117815 LDB: TIME 1459.83 LOAD: AVG 0.117815 MAX 0.195698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.27 MB LDB: TIME 1459.83 LOAD: AVG 0.117815 MAX 0.195698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.27 MB LDB: TIME 1459.83 LOAD: AVG 0.117815 MAX 0.195698 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.27 MB LDB: ============== END OF LOAD BALANCING =============== 1459.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1459.83 PRESSURE: 492400 -22.0535 -33.8019 102.561 -33.8015 59.7812 -23.4379 102.56 -23.4375 158.963 GPRESSURE: 492400 7.39783 75.435 74.554 -143.265 43.114 7.89113 108.064 -97.188 233.608 PRESSAVG: 492400 -19.8976 -20.8342 55.2058 -20.8342 -2.43868 -35.8356 55.2057 -35.8356 4.04311 GPRESSAVG: 492400 -20.8293 -19.1841 56.6693 -21.4889 -2.12426 -37.2466 51.5049 -34.5121 4.35485 TIMING: 492400 CPU: 1456.7, 0.00300026/step Wall: 1456.7, 0.00300026/step, 3.75665 hours remaining, 205.000000 MB of memory in use. ENERGY: 492400 729.4820 2121.6578 1950.0929 136.1276 -205748.4263 17622.3446 0.0000 0.0000 34491.3711 -148697.3503 301.2217 -183188.7214 -148601.6958 301.1975 65.5637 94.7067 556564.7305 -6.0977 -6.1996 PRESSURE: 492600 17.5141 198.478 -75.5583 198.479 -50.1727 -119.371 -75.5587 -119.373 -19.8148 GPRESSURE: 492600 25.4745 187.822 30.3266 250.294 7.12857 -149.05 -105.925 -70.6657 3.8302 PRESSAVG: 492600 -75.4239 -4.43938 19.6721 -4.43934 9.86651 -6.33868 19.6721 -6.33864 39.4129 GPRESSAVG: 492600 -73.7898 -5.57507 19.4353 -2.64081 8.15028 -5.6508 20.2812 -6.53357 38.6103 TIMING: 492600 CPU: 1457.3, 0.00296931/step Wall: 1457.3, 0.00296931/step, 3.71774 hours remaining, 205.257812 MB of memory in use. ENERGY: 492600 741.5651 2132.9459 1944.9810 124.0321 -205930.0379 17582.9353 0.0000 0.0000 34525.9321 -148877.6465 301.5236 -183403.5786 -148771.2902 300.2639 -17.4911 12.1444 556761.3988 -8.7148 -9.0097 PRESSURE: 492800 -252.542 14.8969 56.1666 14.8969 51.5578 82.9648 56.1671 82.965 -167.911 GPRESSURE: 492800 -203.13 73.2374 77.6216 103.718 133.128 103.688 40.9676 75.4507 -197.184 PRESSAVG: 492800 6.7683 -25.9953 -11.5355 -25.9953 22.0244 -2.29754 -11.5354 -2.29753 -0.580073 GPRESSAVG: 492800 5.42141 -26.1874 -10.7934 -27.9284 23.2253 -3.72512 -12.3769 -1.16795 -0.363206 TIMING: 492800 CPU: 1457.89, 0.00296877/step Wall: 1457.89, 0.00296877/step, 3.7169 hours remaining, 205.257812 MB of memory in use. ENERGY: 492800 771.0542 2090.1179 1971.6304 100.1229 -205963.6293 17586.8622 0.0000 0.0000 34628.9632 -148814.8785 302.4233 -183443.8417 -148723.1508 300.4656 -122.9649 -89.0617 556273.3925 9.4042 9.4278 PRESSURE: 493000 -115.831 81.1016 17.6725 81.1014 -50.8696 111.076 17.6716 111.075 -173.576 GPRESSURE: 493000 -103.841 42.0069 -12.861 150.862 -0.0828297 145.775 -84.8706 43.5157 -148.835 PRESSAVG: 493000 9.25586 -33.7113 -38.4421 -33.7114 -25.884 61.1002 -38.4421 61.1002 4.55467 GPRESSAVG: 493000 8.34632 -33.5767 -40.4412 -32.2778 -26.0051 63.6994 -36.4922 59.0915 5.334 TIMING: 493000 CPU: 1458.49, 0.00297332/step Wall: 1458.49, 0.00297332/step, 3.72243 hours remaining, 205.257812 MB of memory in use. ENERGY: 493000 795.1076 2117.8684 1958.4027 106.3966 -205885.2466 17581.3750 0.0000 0.0000 34418.4326 -148907.6638 300.5847 -183326.0964 -148820.0542 299.9700 -113.4256 -84.2531 556236.2452 -4.0245 -4.1083 PRESSURE: 493200 78.2009 6.61292 -53.6944 6.61393 123.757 -60.7217 -53.6951 -60.7211 -201.58 GPRESSURE: 493200 82.6879 136.72 28.857 -30.1458 124.364 -123.76 -129.474 -3.0888 -113.791 PRESSAVG: 493200 32.0264 -19.4024 -26.7167 -19.4023 2.7668 31.373 -26.7166 31.373 -32.1247 GPRESSAVG: 493200 32.3582 -18.1903 -26.5553 -20.1289 1.49633 29.0784 -26.0834 32.5894 -31.7437 TIMING: 493200 CPU: 1459.08, 0.00298917/step Wall: 1459.08, 0.00298917/step, 3.74211 hours remaining, 205.257812 MB of memory in use. ENERGY: 493200 753.6428 2123.0499 1976.7333 122.8220 -205763.3835 17784.6211 0.0000 0.0000 34247.2507 -148755.2637 299.0898 -183002.5144 -148658.3368 300.4142 0.1260 31.0872 558891.8621 0.8895 0.7036 PRESSURE: 493400 -210.265 -92.4973 -0.178545 -92.4977 82.9097 15.9403 -0.177828 15.9382 70.1213 GPRESSURE: 493400 -168.164 -164.784 -13.9121 -101.525 129.073 10.8342 27.6375 47.4341 81.3857 PRESSAVG: 493400 56.2272 -8.66489 11.5998 -8.66475 -27.5294 -3.54097 11.5998 -3.54115 -23.7337 GPRESSAVG: 493400 58.2457 -9.30571 12.33 -7.39245 -27.3218 -3.54238 10.809 -3.19772 -25.3821 TIMING: 493400 CPU: 1459.68, 0.00296591/step Wall: 1459.68, 0.00296591/step, 3.71282 hours remaining, 205.257812 MB of memory in use. ENERGY: 493400 713.1397 2116.1138 1964.3604 114.6007 -205626.6855 17582.4789 0.0000 0.0000 34494.9237 -148641.0684 301.2527 -183135.9921 -148540.5296 300.3097 -19.0781 14.0981 558186.5454 1.6547 1.8473 PRESSURE: 493600 -74.7073 -19.4099 29.6451 -19.4101 19.8884 6.17138 29.6445 6.17087 11.2118 GPRESSURE: 493600 -31.6197 7.88126 -1.19604 -2.92975 60.5133 68.4588 11.0699 -60.3805 24.7721 PRESSAVG: 493600 26.1242 -49.6762 -19.1112 -49.6763 -3.14383 10.6605 -19.1112 10.6604 -39.725 GPRESSAVG: 493600 25.2344 -49.4252 -19.269 -52.5459 -1.7084 12.3486 -17.8264 9.75242 -40.4483 TIMING: 493600 CPU: 1460.27, 0.00295337/step Wall: 1460.27, 0.00295337/step, 3.69697 hours remaining, 205.257812 MB of memory in use. ENERGY: 493600 738.8878 2129.9116 1956.5437 105.5422 -205647.0482 17605.2331 0.0000 0.0000 34464.5116 -148646.4183 300.9872 -183110.9299 -148551.4489 301.3748 -14.5357 17.8886 558183.2253 -5.5815 -5.6408 PRESSURE: 493800 260.144 -38.7161 -44.6908 -38.7169 201.559 48.6801 -44.6904 48.6806 51.0643 GPRESSURE: 493800 401.794 -51.039 110.869 -7.07611 201.852 117.254 -65.3604 31.042 -1.24838 PRESSAVG: 493800 84.5072 -100.166 17.9577 -100.165 -81.3771 -12.2153 17.9578 -12.2153 -22.0816 GPRESSAVG: 493800 85.4687 -102.857 19.9795 -97.5558 -83.2793 -13.0835 14.2537 -13.8687 -21.7472 TIMING: 493800 CPU: 1460.86, 0.00298115/step Wall: 1460.86, 0.00298115/step, 3.73157 hours remaining, 205.257812 MB of memory in use. ENERGY: 493800 770.6395 2143.4079 1982.8127 121.9088 -206029.8488 18084.8619 0.0000 0.0000 34318.2067 -148608.0113 299.7094 -182926.2180 -148515.9302 301.0321 170.9225 200.7990 558274.9919 -6.3172 -6.5193 PRESSURE: 494000 -115.238 -88.6491 148.589 -88.6494 9.72834 -27.5129 148.589 -27.5115 -373.226 GPRESSURE: 494000 -126.901 -73.2197 179.521 -25.2395 66.5632 0.0615368 126.688 2.50318 -314.379 PRESSAVG: 494000 26.9031 16.1717 -28.8304 16.1718 52.465 -29.7229 -28.8304 -29.7229 -55.5525 GPRESSAVG: 494000 25.1475 18.1657 -28.0939 16.1265 52.7092 -29.2523 -28.1224 -28.5309 -54.3249 TIMING: 494000 CPU: 1461.46, 0.00298667/step Wall: 1461.46, 0.00298667/step, 3.73832 hours remaining, 205.257812 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: 494000 779.3382 2076.4249 1964.6273 110.4875 -205237.0189 17441.4871 0.0000 0.0000 34185.8139 -148678.8400 298.5532 -182864.6538 -148585.6590 300.6014 -159.5785 -124.9054 558806.7138 7.9385 7.8439 PRESSURE: 494200 -306.71 -47.7765 29.65 -47.7774 -404.872 -80.2472 29.6508 -80.2482 -307.03 GPRESSURE: 494200 -235.97 -40.5245 37.4843 -29.8299 -349.845 6.68868 86.1595 -48.2772 -354.337 PRESSAVG: 494200 -43.6985 52.0531 39.684 52.0531 0.357371 20.1784 39.684 20.1784 7.44294 GPRESSAVG: 494200 -42.8836 52.1204 40.2203 51.4745 0.562952 20.3426 39.5369 21.2369 6.51753 TIMING: 494200 CPU: 1462.05, 0.00294479/step Wall: 1462.05, 0.00294479/step, 3.68573 hours remaining, 205.257812 MB of memory in use. ENERGY: 494200 760.2638 2068.6709 1965.9078 122.4051 -205421.1252 17327.3310 0.0000 0.0000 34395.7497 -148780.7969 300.3866 -183176.5466 -148680.3256 300.0928 -339.5370 -313.3841 559283.4963 -11.9661 -11.9344 PRESSURE: 494400 -358.055 -232.488 -116.942 -232.486 -84.2807 185.677 -116.943 185.677 -187.723 GPRESSURE: 494400 -327.504 -235.893 -160.448 -222.953 -79.0533 93.2952 -120.425 170.298 -122.458 PRESSAVG: 494400 11.5358 -21.5808 -7.43796 -21.5807 9.03158 -22.6389 -7.4379 -22.6388 -28.6139 GPRESSAVG: 494400 10.3554 -21.0395 -10.3735 -22.875 9.9901 -23.8104 -6.71527 -22.3677 -28.2291 TIMING: 494400 CPU: 1462.64, 0.0029591/step Wall: 1462.64, 0.0029591/step, 3.70348 hours remaining, 205.257812 MB of memory in use. ENERGY: 494400 746.0945 2160.8764 1984.5784 117.1395 -205381.5516 17411.9511 0.0000 0.0000 34328.5325 -148632.3792 299.7996 -182960.9117 -148533.6786 300.8689 -210.0195 -176.3386 558591.6551 -2.6822 -2.6278 PRESSURE: 494600 283.255 -11.1854 -113.854 -11.1854 154.785 1.11579 -113.855 1.11565 18.7379 GPRESSURE: 494600 267.634 -52.1205 -184.978 63.3953 196.76 -3.9962 -97.4123 52.9036 71.9069 PRESSAVG: 494600 52.8716 0.497168 -26.4598 0.497255 -0.907053 60.3287 -26.4598 60.3287 -24.2 GPRESSAVG: 494600 53.6815 -1.42659 -25.3443 1.41936 -0.577975 60.86 -24.5785 59.9582 -25.2366 TIMING: 494600 CPU: 1463.23, 0.00295827/step Wall: 1463.23, 0.00295827/step, 3.70228 hours remaining, 205.257812 MB of memory in use. ENERGY: 494600 754.1388 2104.9920 1964.4208 131.9440 -205969.1449 18071.9174 0.0000 0.0000 34349.0953 -148592.6366 299.9792 -182941.7319 -148493.0364 300.2124 152.2592 178.7667 558950.0800 9.2549 9.2890 PRESSURE: 494800 58.1778 -65.3227 -58.9253 -65.3221 -167.378 -47.6395 -58.9251 -47.6388 -304.074 GPRESSURE: 494800 59.4009 -105.88 -147.438 -37.8518 -157.722 -73.2656 -50.3851 -53.5194 -238.685 PRESSAVG: 494800 9.54799 42.7047 -29.2415 42.7048 2.23635 31.1379 -29.2416 31.138 -35.8682 GPRESSAVG: 494800 8.71434 43.0274 -31.9327 43.4609 2.45539 29.8559 -28.0373 31.5987 -35.4041 TIMING: 494800 CPU: 1463.83, 0.00296232/step Wall: 1463.83, 0.00296232/step, 3.70718 hours remaining, 205.257812 MB of memory in use. ENERGY: 494800 731.6115 2101.9307 1972.8291 116.5046 -205289.5641 17483.0745 0.0000 0.0000 34196.1123 -148687.5014 298.6432 -182883.6137 -148586.2395 300.5382 -137.7580 -112.3354 557877.8501 -8.0280 -8.0781 PRESSURE: 495000 49.9117 65.9605 159.802 65.9631 -241.239 -8.16238 159.802 -8.16207 10.131 GPRESSURE: 495000 109.656 99.3774 229.561 59.1852 -198.263 4.15388 89.5645 -43.0455 7.50568 PRESSAVG: 495000 52.7927 91.8643 48.7649 91.8642 -21.5685 37.7362 48.7649 37.7361 18.9005 GPRESSAVG: 495000 53.8868 92.705 50.357 92.1886 -23.2179 38.279 47.5597 37.731 19.3439 TIMING: 495000 CPU: 1464.42, 0.00295398/step Wall: 1464.42, 0.00295398/step, 3.69658 hours remaining, 205.257812 MB of memory in use. ENERGY: 495000 752.0010 2119.1492 1965.5076 108.4727 -205775.3646 17641.4525 0.0000 0.0000 34464.3538 -148724.4280 300.9858 -183188.7817 -148635.3754 300.7504 -60.3986 -27.0339 558324.5106 16.7083 16.6709 PRESSURE: 495200 -128.755 83.0617 224.008 83.0617 -137.999 -4.54475 224.008 -4.54492 -40.1723 GPRESSURE: 495200 -58.8638 30.9947 148.872 110.974 -81.4813 -66.0086 188.368 127.254 -60.6907 PRESSAVG: 495200 -18.3435 21.5068 33.0769 21.5068 -25.4089 -5.33639 33.077 -5.33649 38.1823 GPRESSAVG: 495200 -18.8247 21.8367 32.8904 20.6721 -23.9037 -5.22581 30.3661 -4.60963 37.331 TIMING: 495200 CPU: 1465.01, 0.00295535/step Wall: 1465.01, 0.00295536/step, 3.69813 hours remaining, 205.257812 MB of memory in use. ENERGY: 495200 757.1732 2067.7212 1978.4270 116.3716 -205770.4821 17738.8348 0.0000 0.0000 34238.4265 -148873.5278 299.0127 -183111.9543 -148774.5276 299.9766 -102.3087 -67.0119 558267.7679 -1.8567 -1.7991 PRESSURE: 495400 -144.148 207.117 -111.2 207.117 -149.104 68.4763 -111.2 68.4769 -63.8708 GPRESSURE: 495400 -119.621 316.022 -87.3138 201.983 -133.384 55.8955 -175.445 58.9567 -16.5028 PRESSAVG: 495400 -3.6233 -10.5171 -28.6989 -10.517 -13.772 13.5102 -28.6989 13.5103 43.2526 GPRESSAVG: 495400 -3.55878 -10.9292 -30.418 -10.7053 -13.3616 15.4296 -27.2149 11.8543 42.6836 TIMING: 495400 CPU: 1465.6, 0.00296205/step Wall: 1465.6, 0.00296205/step, 3.70635 hours remaining, 205.257812 MB of memory in use. ENERGY: 495400 748.2996 2132.9927 1946.8477 117.3195 -205795.5370 17595.5419 0.0000 0.0000 34580.7721 -148673.7635 302.0025 -183254.5356 -148578.5456 300.3188 -119.0408 -89.8362 559401.8144 8.6191 8.5878 PRESSURE: 495600 32.6512 -156.533 257.757 -156.532 92.0479 87.1755 257.757 87.1752 221.598 GPRESSURE: 495600 85.8466 -174.112 209.859 -193.88 112.268 90.4832 211.194 20.088 247.106 PRESSAVG: 495600 58.3452 4.32502 -3.84644 4.325 -4.26565 8.76485 -3.84641 8.76478 -20.5141 GPRESSAVG: 495600 57.0116 5.4542 -1.91159 4.56973 -5.61149 8.723 -3.98675 8.04325 -18.2169 TIMING: 495600 CPU: 1466.19, 0.00294441/step Wall: 1466.19, 0.00294441/step, 3.68412 hours remaining, 205.257812 MB of memory in use. ENERGY: 495600 737.3405 2060.2043 1957.3515 117.9132 -206264.3879 18092.6648 0.0000 0.0000 34475.5155 -148823.3981 301.0833 -183298.9136 -148722.9121 300.4090 115.4324 148.4068 559103.2039 11.1885 11.0611 PRESSURE: 495800 -108.61 -88.3713 22.2529 -88.3695 44.1309 113.311 22.2528 113.31 -117.455 GPRESSURE: 495800 -32.4918 -144.852 72.9128 -10.8522 -19.1186 74.2559 -37.6897 178.394 -26.3861 PRESSAVG: 495800 4.55744 -62.2905 20.9201 -62.2905 13.1774 -24.7219 20.92 -24.7218 1.18068 GPRESSAVG: 495800 5.78536 -64.281 21.774 -63.3368 13.2013 -23.422 21.1086 -25.0289 0.0018072 TIMING: 495800 CPU: 1466.78, 0.00295135/step Wall: 1466.78, 0.00295135/step, 3.69263 hours remaining, 205.257812 MB of memory in use. ENERGY: 495800 739.2113 2171.7513 1939.7614 119.3595 -205867.1921 17724.8060 0.0000 0.0000 34321.6877 -148850.6150 299.7398 -183172.3027 -148756.3289 300.0926 -60.6446 -25.9988 558859.5264 6.3052 6.3295 PRESSURE: 496000 -56.0126 6.30873 55.124 6.30929 21.5039 -34.3208 55.1253 -34.319 -90.1041 GPRESSURE: 496000 16.4815 -52.6638 -19.6976 49.6834 5.51064 -51.4032 128.364 -78.8748 -45.1436 PRESSAVG: 496000 -36.1113 5.39135 -10.368 5.39133 -52.1606 -25.8841 -10.3679 -25.8842 83.7282 GPRESSAVG: 496000 -36.2699 5.51699 -11.0847 5.24727 -52.5246 -28.7023 -13.098 -25.438 83.6563 TIMING: 496000 CPU: 1467.37, 0.00297218/step Wall: 1467.37, 0.00297218/step, 3.71852 hours remaining, 205.257812 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: 496000 726.6576 2064.2760 1971.0110 121.1657 -205805.6477 17608.5541 0.0000 0.0000 34359.3629 -148954.6204 300.0689 -183313.9833 -148854.1635 299.8296 -41.5376 -7.7171 557775.7841 -1.5146 -1.7127 PRESSURE: 496200 113.674 61.9939 -65.3486 61.9939 -130.118 15.3453 -65.3487 15.3454 14.9479 GPRESSURE: 496200 156.222 24.2002 -54.7114 49.5038 -38.3636 120.484 -90.1472 26.2517 -37.7613 PRESSAVG: 496200 6.09775 -13.7946 -12.7094 -13.7946 -50.4989 9.27391 -12.7094 9.27404 79.1594 GPRESSAVG: 496200 6.21269 -12.9759 -12.0902 -13.8065 -50.7244 9.03723 -11.2832 10.2683 79.1601 TIMING: 496200 CPU: 1467.96, 0.00294698/step Wall: 1467.96, 0.00294698/step, 3.68684 hours remaining, 205.257812 MB of memory in use. ENERGY: 496200 744.1779 2077.5424 1925.2460 120.3671 -205643.3196 17708.6950 0.0000 0.0000 34327.5040 -148739.7871 299.7906 -183067.2911 -148647.0307 299.9286 -0.4986 26.6990 558061.3045 11.5861 11.5495 LDB: ============= START OF LOAD BALANCING ============== 1471.39 LDB: ============== END OF LOAD BALANCING =============== 1471.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1471.39 LDB: ============= START OF LOAD BALANCING ============== 1471.69 LDB: Largest compute 4848 load 0.030729 is 26.1% of average load 0.117794 LDB: Average compute 0.001735 is 1.5% of average load 0.117794 LDB: TIME 1471.69 LOAD: AVG 0.117794 MAX 0.195104 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.828 MB LDB: TIME 1471.69 LOAD: AVG 0.117794 MAX 0.195104 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.863 MB LDB: TIME 1471.69 LOAD: AVG 0.117794 MAX 0.195104 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.863 MB LDB: ============== END OF LOAD BALANCING =============== 1471.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1471.69 PRESSURE: 496400 -131.883 -12.1059 -131.709 -12.1052 49.7102 -30.2801 -131.708 -30.2786 48.3849 GPRESSURE: 496400 -66.0025 55.5674 -72.5016 -28.5176 15.9246 50.2633 -143.235 -27.1345 110.465 PRESSAVG: 496400 -29.5124 12.8209 37.2072 12.8209 59.972 -24.9732 37.2071 -24.9732 -7.14026 GPRESSAVG: 496400 -28.6549 14.2293 37.88 13.889 60.0402 -23.4064 37.1921 -25.853 -7.8904 TIMING: 496400 CPU: 1468.56, 0.0030048/step Wall: 1468.56, 0.0030048/step, 3.759 hours remaining, 204.277344 MB of memory in use. ENERGY: 496400 721.3356 2068.7493 1965.4340 111.8351 -205931.1802 17916.9369 0.0000 0.0000 34328.1580 -148818.7313 299.7963 -183146.8893 -148718.9044 300.5386 -11.2626 20.1289 559424.4116 7.7731 7.8316 PRESSURE: 496600 -117.339 42.4637 3.46115 42.4636 -436.69 -145.504 3.46036 -145.504 -192.523 GPRESSURE: 496600 -98.8591 -36.017 -44.4833 -20.0899 -445.203 -128.472 -13.5537 -147.344 -114.33 PRESSAVG: 496600 16.3973 9.01437 -18.1806 9.01439 -19.5159 -22.3419 -18.1805 -22.342 -34.0813 GPRESSAVG: 496600 15.8579 8.09149 -21.7042 8.89591 -19.494 -23.7393 -17.1253 -22.3535 -33.7435 TIMING: 496600 CPU: 1469.15, 0.00293727/step Wall: 1469.15, 0.00293728/step, 3.67437 hours remaining, 204.332031 MB of memory in use. ENERGY: 496600 772.6759 2102.2458 1972.0563 121.2142 -205412.3841 17469.9478 0.0000 0.0000 34345.2250 -148629.0191 299.9454 -182974.2442 -148529.7276 300.1217 -248.8509 -219.4642 560049.5435 -12.4000 -12.4599 PRESSURE: 496800 17.2511 212.528 -180.67 212.528 -224.627 61.541 -180.67 61.5417 -201.707 GPRESSURE: 496800 -7.12218 234.636 -178.508 167.147 -188.898 77.7354 -135.858 10.8965 -111.452 PRESSAVG: 496800 23.0078 23.6701 -41.4549 23.6701 -52.9022 30.3558 -41.455 30.3559 56.7077 GPRESSAVG: 496800 22.842 23.671 -39.8884 23.9115 -52.6999 31.0153 -40.2519 30.409 57.0898 TIMING: 496800 CPU: 1469.75, 0.00296937/step Wall: 1469.75, 0.00296937/step, 3.71435 hours remaining, 204.332031 MB of memory in use. ENERGY: 496800 775.3349 2077.5612 1974.0200 113.9670 -205792.9527 17753.8094 0.0000 0.0000 34215.9588 -148882.3015 298.8165 -183098.2603 -148788.3284 300.7237 -136.3610 -102.4905 559472.3335 8.9378 9.0773 PRESSURE: 497000 83.1337 36.8885 53.0895 36.8876 -145.127 -186.963 53.0895 -186.964 -47.3566 GPRESSURE: 497000 60.7454 -44.1954 157.09 67.8716 -84.8228 -167.365 44.9358 -180.374 14.6178 PRESSAVG: 497000 -45.7786 37.0806 -18.3699 37.0807 -75.6774 27.5628 -18.3699 27.5627 103.762 GPRESSAVG: 497000 -45.6014 34.367 -17.9155 38.5044 -75.0409 27.8316 -20.2579 27.2382 103.052 TIMING: 497000 CPU: 1470.34, 0.00295501/step Wall: 1470.34, 0.00295501/step, 3.69623 hours remaining, 204.332031 MB of memory in use. ENERGY: 497000 756.5179 2041.7802 1980.7950 105.0070 -205866.3440 17693.2088 0.0000 0.0000 34392.6714 -148896.3637 300.3598 -183289.0351 -148794.2908 299.8939 -36.4498 -3.1532 557425.6417 -5.8981 -5.8634 PRESSURE: 497200 -148.239 176.744 -80.1543 176.743 -247.12 -25.9864 -80.1537 -25.9876 173.733 GPRESSURE: 497200 -74.9091 211.948 -116.216 183.771 -238.794 -129.96 -79.7738 28.4616 188.231 PRESSAVG: 497200 -82.4472 63.7343 -19.3258 63.7343 19.9203 10.2473 -19.3257 10.2472 37.8754 GPRESSAVG: 497200 -82.9856 67.2685 -16.912 61.4278 19.4218 10.2174 -20.6463 9.44614 38.685 TIMING: 497200 CPU: 1470.93, 0.00297622/step Wall: 1470.93, 0.00297622/step, 3.72259 hours remaining, 204.332031 MB of memory in use. ENERGY: 497200 782.4728 2050.6986 1965.1014 117.2658 -205873.0055 17715.0110 0.0000 0.0000 34251.8128 -148990.6431 299.1296 -183242.4559 -148898.1958 300.3618 -73.8754 -41.8242 556463.0427 -8.2171 -8.2929 PRESSURE: 497400 -539.819 -51.2047 -24.5992 -51.2045 -17.1252 -86.149 -24.5996 -86.1505 -169.051 GPRESSURE: 497400 -485.16 6.48875 35.1097 -46.9516 -32.6086 -131.405 49.733 -96.647 -115.696 PRESSAVG: 497400 13.9683 13.1943 -5.72205 13.1943 8.11019 -22 -5.72209 -21.9999 -27.5215 GPRESSAVG: 497400 14.5707 13.0772 -7.7729 13.5452 7.43172 -23.4362 -6.21992 -21.564 -27.348 TIMING: 497400 CPU: 1471.52, 0.00296166/step Wall: 1471.52, 0.00296166/step, 3.70421 hours remaining, 204.332031 MB of memory in use. ENERGY: 497400 790.1101 2060.1194 1958.5018 118.0980 -205523.4647 17476.6955 0.0000 0.0000 34163.0619 -148956.8780 298.3545 -183119.9399 -148855.6663 299.0889 -241.9986 -211.1549 558180.3833 -1.8143 -1.7819 PRESSURE: 497600 -163.628 -92.8698 35.2429 -92.8696 -134.046 172.274 35.2423 172.273 -22.3663 GPRESSURE: 497600 -80.0457 -112.365 -65.7981 1.42656 -153.866 151.823 109.373 195.472 7.56794 PRESSAVG: 497600 44.4846 -34.6882 -53.4621 -34.6883 44.5483 78.0726 -53.4622 78.0726 -86.6953 GPRESSAVG: 497600 43.8908 -35.7947 -54.5855 -33.9415 44.9828 79.6972 -51.9036 77.4313 -87.0003 TIMING: 497600 CPU: 1472.12, 0.00297275/step Wall: 1472.12, 0.00297275/step, 3.71793 hours remaining, 204.332031 MB of memory in use. ENERGY: 497600 747.5502 2068.1236 1998.3214 103.5689 -205866.7226 17810.2633 0.0000 0.0000 34199.0924 -148939.8028 298.6692 -183138.8952 -148845.2858 300.0349 -106.6799 -75.4479 557629.8294 0.7792 0.6244 PRESSURE: 497800 -101.829 16.4839 -49.4708 16.4841 126.344 -4.47832 -49.4696 -4.48007 71.3834 GPRESSURE: 497800 -30.745 23.3035 -35.455 8.78349 148.631 76.4517 0.816786 -71.81 80.5477 PRESSAVG: 497800 24.2454 -8.52569 12.4416 -8.52565 -62.5531 2.51826 12.4416 2.51821 23.5667 GPRESSAVG: 497800 25.0636 -8.82067 12.9448 -10.3007 -62.5427 2.20469 13.1867 2.34291 23.4906 TIMING: 497800 CPU: 1472.71, 0.00297016/step Wall: 1472.71, 0.00297016/step, 3.71451 hours remaining, 204.332031 MB of memory in use. ENERGY: 497800 755.8610 2065.4004 1944.2860 111.8173 -205789.4988 17689.7952 0.0000 0.0000 34455.1849 -148767.1540 300.9057 -183222.3389 -148667.5401 300.0244 31.9659 66.1446 558859.1849 -4.9137 -4.6628 PRESSURE: 498000 86.4141 15.9085 -43.3919 15.9072 48.8206 -63.4033 -43.3934 -63.4023 -154.46 GPRESSURE: 498000 121.961 101.646 -48.2074 -44.3724 54.083 -33.3225 -28.9817 -77.3656 -102.635 PRESSAVG: 498000 2.96909 9.13039 -20.1527 9.13052 -15.741 -11.7979 -20.1527 -11.7979 -31.2375 GPRESSAVG: 498000 2.55151 8.18924 -17.4108 10.744 -15.8168 -14.3602 -20.4965 -9.4682 -30.5381 TIMING: 498000 CPU: 1473.3, 0.00295394/step Wall: 1473.3, 0.00295394/step, 3.69406 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: 498000 740.5812 2139.0169 1960.3264 114.4995 -205654.3350 17622.8890 0.0000 0.0000 34380.5814 -148696.4406 300.2542 -183077.0220 -148601.0197 300.7987 -6.4085 24.4699 558626.9530 -14.6698 -14.6011 PRESSURE: 498200 146.394 -49.0867 45.3213 -49.0869 -268.93 -24.097 45.3213 -24.0972 40.0401 GPRESSURE: 498200 177.939 -125.662 103.673 8.502 -213.676 -98.1058 -5.91673 -3.3164 55.6883 PRESSAVG: 498200 -2.02424 39.5558 9.84836 39.5558 -26.3788 -58.3781 9.84835 -58.3781 34.909 GPRESSAVG: 498200 -1.57388 39.716 7.19721 39.3999 -25.9688 -54.7923 8.09489 -60.964 34.4411 TIMING: 498200 CPU: 1473.9, 0.00295929/step Wall: 1473.9, 0.00295929/step, 3.70059 hours remaining, 204.332031 MB of memory in use. ENERGY: 498200 752.7351 2111.2158 1987.7360 111.6391 -206178.8058 17802.8599 0.0000 0.0000 34626.8628 -148785.7570 302.4050 -183412.6199 -148686.7955 301.6902 -27.4986 6.6505 556876.7821 2.1687 2.2995 PRESSURE: 498400 -213.769 -86.3727 161.698 -86.3732 -13.883 -184.75 161.698 -184.751 -341.639 GPRESSURE: 498400 -222.436 -157.435 111.909 -46.5507 45.4132 -206.916 176.824 -124.974 -297.142 PRESSAVG: 498400 -27.6507 13.4646 48.2225 13.4646 15.8138 -32.1491 48.2226 -32.1492 0.289972 GPRESSAVG: 498400 -27.3246 15.947 50.3167 12.4574 15.8055 -32.0213 47.7915 -30.1116 0.100646 TIMING: 498400 CPU: 1474.49, 0.00295179/step Wall: 1474.49, 0.00295179/step, 3.69105 hours remaining, 204.332031 MB of memory in use. ENERGY: 498400 781.1984 2120.0079 1974.8937 119.1191 -205875.0576 17756.5034 0.0000 0.0000 34268.4066 -148854.9286 299.2745 -183123.3352 -148753.7241 301.0278 -189.7637 -158.0549 559333.4361 -3.8490 -3.8062 PRESSURE: 498600 -247.386 -105.494 74.8129 -105.495 177.747 -27.4547 74.8127 -27.4542 -188.758 GPRESSURE: 498600 -212.386 -162.932 23.7918 -83.5968 154.115 43.1029 67.4186 -130.314 -115.354 PRESSAVG: 498600 36.8653 -15.9471 63.0938 -15.9471 -14.993 -113.078 63.0938 -113.078 -33.6534 GPRESSAVG: 498600 35.7923 -17.9733 61.0001 -14.4487 -14.5206 -114.278 65.829 -112.506 -33.2475 TIMING: 498600 CPU: 1475.08, 0.00295858/step Wall: 1475.08, 0.00295858/step, 3.69937 hours remaining, 204.332031 MB of memory in use. ENERGY: 498600 736.9563 2157.7238 1961.3334 113.1786 -206103.2955 17650.5402 0.0000 0.0000 34619.8247 -148863.7385 302.3435 -183483.5632 -148764.3324 299.6642 -86.1324 -57.8750 559381.7109 -3.9270 -3.9919 PRESSURE: 498800 -38.6086 195.371 149.029 195.371 231.751 140.732 149.03 140.732 65.1725 GPRESSURE: 498800 41.7537 198.485 177.191 146.684 263.72 230.047 96.2779 102.691 58.0963 PRESSAVG: 498800 -161.623 6.71433 55.1872 6.71426 90.8993 -2.9344 55.1872 -2.93446 48.8702 GPRESSAVG: 498800 -160.902 8.97488 55.8548 6.54506 91.2953 -1.55424 53.8602 -4.82358 47.7791 TIMING: 498800 CPU: 1475.67, 0.00296919/step Wall: 1475.67, 0.00296919/step, 3.71248 hours remaining, 204.332031 MB of memory in use. ENERGY: 498800 760.9242 2110.7620 1954.2301 106.0458 -206053.1463 17814.7250 0.0000 0.0000 34422.5853 -148883.8739 300.6210 -183306.4592 -148789.5686 299.9511 86.1048 121.1900 556475.0426 -7.2845 -7.2759 PRESSURE: 499000 -55.1869 50.5222 18.8525 50.5224 111.649 -71.2966 18.8528 -71.2985 122.061 GPRESSURE: 499000 -5.77416 50.0936 -51.6187 79.0038 152.341 -145.9 -6.84455 -41.8736 138.352 PRESSAVG: 499000 -88.9956 17.525 8.60244 17.5249 45.8412 -1.72306 8.60238 -1.72299 10.9934 GPRESSAVG: 499000 -89.0035 16.2173 9.39435 16.9535 45.7621 -0.537619 8.02628 0.349311 10.7425 TIMING: 499000 CPU: 1476.27, 0.0030057/step Wall: 1476.27, 0.0030057/step, 3.75796 hours remaining, 204.332031 MB of memory in use. ENERGY: 499000 711.6701 2131.2329 1984.9166 120.2096 -205934.1239 17750.4822 0.0000 0.0000 34250.8555 -148984.7571 299.1212 -183235.6126 -148889.9238 300.0314 59.5077 94.9730 557434.3281 -10.7204 -10.8330 PRESSURE: 499200 -108.752 131.62 -18.062 131.621 -194.636 -93.5301 -18.0629 -93.5302 40.1334 GPRESSURE: 499200 -92.99 50.7376 2.69095 99.6916 -148.992 -145.046 -54.402 -89.1876 73.8378 PRESSAVG: 499200 -44.1462 -6.38267 62.9245 -6.38269 14.1436 -99.7215 62.9245 -99.7215 63.0781 GPRESSAVG: 499200 -44.9367 -6.16735 64.144 -7.52115 14.0684 -102.438 63.221 -98.8456 63.9753 TIMING: 499200 CPU: 1476.87, 0.00299219/step Wall: 1476.87, 0.00299219/step, 3.74091 hours remaining, 204.332031 MB of memory in use. ENERGY: 499200 714.8624 2060.0880 1968.2268 113.6013 -205769.4596 17464.8407 0.0000 0.0000 34466.0983 -148981.7422 301.0010 -183447.8405 -148882.4448 299.3136 -87.7514 -56.0481 557705.4432 11.0252 11.0356 PRESSURE: 499400 -117.945 21.856 134.54 21.8554 -243.166 -44.8726 134.54 -44.8721 2.66434 GPRESSURE: 499400 -46.4049 -5.33489 122.051 24.4042 -217.871 -117.045 125.038 -24.9586 16.1095 PRESSAVG: 499400 -62.5445 5.00668 0.431821 5.0067 -39.1961 -25.5797 0.431684 -25.5796 40.763 GPRESSAVG: 499400 -61.5616 3.98236 -0.744021 6.46183 -40.2378 -25.8754 0.530166 -27.4427 40.7268 TIMING: 499400 CPU: 1477.47, 0.00297471/step Wall: 1477.47, 0.00297471/step, 3.71888 hours remaining, 204.332031 MB of memory in use. ENERGY: 499400 746.8290 2093.3271 1955.3878 125.0284 -206052.9196 17801.5011 0.0000 0.0000 34459.7980 -148871.0482 300.9460 -183330.8462 -148772.2950 299.8376 -119.4824 -82.7220 559938.7233 -20.3258 -20.3576 PRESSURE: 499600 -123.537 -63.7827 -126.868 -63.7839 24.326 -107.246 -126.869 -107.247 -58.5589 GPRESSURE: 499600 -97.0037 -139.049 -162.517 -8.34513 59.8513 -95.9063 -112.684 -175.477 -31.934 PRESSAVG: 499600 -59.7933 28.9489 -18.2323 28.9489 -16.8128 -49.771 -18.2322 -49.7709 33.1383 GPRESSAVG: 499600 -59.741 31.0935 -19.8864 27.4899 -15.033 -48.9556 -16.4505 -47.8505 31.5332 TIMING: 499600 CPU: 1478.06, 0.00297544/step Wall: 1478.06, 0.00297544/step, 3.71963 hours remaining, 204.332031 MB of memory in use. ENERGY: 499600 741.2571 2054.5981 1950.7144 110.3842 -205841.8496 17678.6772 0.0000 0.0000 34262.1115 -149044.1069 299.2195 -183306.2184 -148943.5274 300.4254 -52.5899 -23.0288 557952.5710 -14.4893 -14.4136 PRESSURE: 499800 108.628 -5.93525 -116.665 -5.93533 316.811 -219.543 -116.666 -219.544 -89.7696 GPRESSURE: 499800 99.1671 12.878 -1.68984 30.7109 385.445 -202.481 -129.848 -229.951 -55.2784 PRESSAVG: 499800 -15.1621 -51.7982 -57.4987 -51.7983 -43.1276 -48.0671 -57.4987 -48.0672 52.0092 GPRESSAVG: 499800 -15.9847 -52.9703 -57.2219 -49.9899 -43.4411 -45.3401 -57.9387 -48.7676 53.0639 TIMING: 499800 CPU: 1478.66, 0.00297639/step Wall: 1478.66, 0.00297639/step, 3.72065 hours remaining, 204.332031 MB of memory in use. ENERGY: 499800 760.4498 2166.8020 1976.6009 101.2166 -205936.8091 17641.2193 0.0000 0.0000 34165.0231 -149125.4975 298.3716 -183290.5206 -149034.1105 299.7993 111.8898 143.1114 556344.3130 -2.0935 -2.1206 PRESSURE: 500000 -279.343 145.599 138.407 145.598 -206.616 25.5347 138.408 25.535 -178.026 GPRESSURE: 500000 -219.114 171.169 -10.7998 92.4603 -213.989 50.2292 171.04 -6.03685 -132.093 PRESSAVG: 500000 -3.16947 -19.844 -51.6873 -19.844 -0.127673 -24.5063 -51.6873 -24.5063 28.0549 GPRESSAVG: 500000 -3.32597 -17.6726 -47.8903 -21.6423 -0.592675 -24.7813 -53.2076 -26.1449 28.822 TIMING: 500000 CPU: 1479.25, 0.00295501/step Wall: 1479.25, 0.00295501/step, 3.69376 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: 500000 757.8651 2039.0946 1979.3940 121.6370 -205724.1920 17425.3726 0.0000 0.0000 34175.5368 -149225.2919 298.4635 -183400.8287 -149125.5088 299.2754 -221.3279 -188.3984 556738.4006 8.2526 8.3011 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 500000 WRITING COORDINATES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART COORDINATES The last position output (seq=500000) takes 0.010 seconds, 204.332 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 500000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=500000) takes 0.004 seconds, 204.332 MB of memory in use PRESSURE: 500200 -48.9212 46.0856 82.5092 46.0868 -96.5758 -1.6368 82.5089 -1.63771 34.9623 GPRESSURE: 500200 -36.6845 -12.4773 117.448 85.011 -25.7357 70.3167 79.9556 -74.5819 59.003 PRESSAVG: 500200 -1.22606 58.101 42.0608 58.101 -38.8426 27.8055 42.0608 27.8055 29.5643 GPRESSAVG: 500200 -1.7138 56.5056 40.0789 58.772 -38.6944 28.1193 40.7895 27.4412 30.3682 TIMING: 500200 CPU: 1479.93, 0.0033955/step Wall: 1479.93, 0.0033955/step, 4.24419 hours remaining, 204.332031 MB of memory in use. ENERGY: 500200 741.7411 2106.3225 1961.2030 116.3250 -206038.7262 17626.4223 0.0000 0.0000 34299.6366 -149187.0757 299.5473 -183486.7123 -149093.5272 299.2882 -36.8449 -1.1391 556596.3051 -3.5014 -3.3467 LDB: ============= START OF LOAD BALANCING ============== 1483.35 LDB: ============== END OF LOAD BALANCING =============== 1483.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1483.35 LDB: ============= START OF LOAD BALANCING ============== 1483.65 LDB: Largest compute 4848 load 0.029067 is 24.7% of average load 0.117844 LDB: Average compute 0.001727 is 1.5% of average load 0.117844 LDB: TIME 1483.65 LOAD: AVG 0.117844 MAX 0.19651 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.66 MB LDB: TIME 1483.65 LOAD: AVG 0.117844 MAX 0.19651 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.859 MB LDB: TIME 1483.65 LOAD: AVG 0.117844 MAX 0.19651 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1483.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1483.66 PRESSURE: 500400 2.98859 48.4308 32.3874 48.4316 5.56764 44.7694 32.3872 44.7689 155.468 GPRESSURE: 500400 38.2229 3.10838 -25.2371 57.1949 30.8371 27.2154 49.1387 69.7715 176.385 PRESSAVG: 500400 23.2346 16.2331 22.4397 16.2332 19.3331 45.1772 22.4396 45.1773 -35.5511 GPRESSAVG: 500400 25.2203 16.1505 22.8225 15.0511 18.6025 43.0742 22.6695 46.4971 -36.5864 TIMING: 500400 CPU: 1480.53, 0.00302103/step Wall: 1480.53, 0.00302103/step, 3.77595 hours remaining, 205.691406 MB of memory in use. ENERGY: 500400 770.5139 2117.6786 1968.5346 89.8383 -206633.3867 17904.4555 0.0000 0.0000 34585.8840 -149196.4818 302.0471 -183782.3658 -149096.2548 299.6304 54.6746 81.8149 556641.3597 2.3389 2.4121 PRESSURE: 500600 -146.841 -28.4236 52.8076 -28.4229 -77.381 -64.5554 52.8087 -64.5537 -52.7992 GPRESSURE: 500600 -114.484 21.2188 38.3226 76.531 -89.4581 -141.774 92.1249 -102.081 14.2023 PRESSAVG: 500600 7.80823 55.0181 0.903946 55.018 -15.2977 51.0746 0.903981 51.0747 31.803 GPRESSAVG: 500600 6.48423 55.5853 -1.75878 55.6239 -14.6829 51.8209 2.90965 51.3223 32.4612 TIMING: 500600 CPU: 1481.13, 0.0029918/step Wall: 1481.13, 0.0029918/step, 3.73925 hours remaining, 205.761719 MB of memory in use. ENERGY: 500600 730.4362 2096.5602 1960.9751 110.3784 -206271.7653 17763.4338 0.0000 0.0000 34306.6712 -149303.3105 299.6087 -183609.9817 -149192.9799 299.4972 -92.3403 -63.2465 557979.4933 8.1045 8.0875 PRESSURE: 500800 -184.984 23.9578 -63.9345 23.9583 -176.022 -147.736 -63.9338 -147.736 -232.35 GPRESSURE: 500800 -174.102 -37.3296 -141.131 112.572 -150.905 -82.7367 -93.8452 -173.411 -180.963 PRESSAVG: 500800 -42.341 47.1385 -3.27867 47.1384 16.6208 -7.43827 -3.27881 -7.43816 50.6481 GPRESSAVG: 500800 -42.1893 45.5553 -1.86771 48.4373 15.537 -7.77292 -4.73659 -9.08596 51.5532 TIMING: 500800 CPU: 1481.72, 0.00297921/step Wall: 1481.72, 0.00297921/step, 3.72335 hours remaining, 205.761719 MB of memory in use. ENERGY: 500800 759.5563 2149.1061 1964.0276 115.7558 -205787.1491 17413.3710 0.0000 0.0000 34107.9584 -149277.3738 297.8733 -183385.3322 -149182.4279 299.0887 -197.7857 -168.6565 558403.6031 8.3093 8.3003 PRESSURE: 501000 250.438 145.252 90.9375 145.252 -180.915 -89.8551 90.9363 -89.8574 -137.056 GPRESSURE: 501000 252.951 222.535 117.946 97.5315 -141.392 -207.699 66.6403 -110.32 -88.9069 PRESSAVG: 501000 -31.6884 -29.5709 -19.9499 -29.5709 14.0193 -23.4219 -19.95 -23.4219 2.54051 GPRESSAVG: 501000 -32.6658 -27.0771 -19.2498 -31.2751 15.1188 -23.9984 -19.7215 -22.0003 1.98117 TIMING: 501000 CPU: 1482.32, 0.00298307/step Wall: 1482.32, 0.00298307/step, 3.72801 hours remaining, 205.761719 MB of memory in use. ENERGY: 501000 746.1861 2100.4726 1956.2121 110.8677 -206250.6156 17831.1505 0.0000 0.0000 34223.4969 -149282.2297 298.8823 -183505.7266 -149184.0288 299.3121 -22.5112 7.5509 557576.7574 -5.0429 -5.1886 PRESSURE: 501200 55.5299 13.8587 -211.137 13.8584 -4.78109 74.9511 -211.137 74.9507 -92.3519 GPRESSURE: 501200 84.02 16.5302 -242.885 29.8497 21.3348 23.4622 -173.348 70.4039 -38.1141 PRESSAVG: 501200 -20.6137 -8.00895 -35.3889 -8.009 43.1358 -14.9032 -35.389 -14.9031 -12.955 GPRESSAVG: 501200 -20.5865 -10.3949 -36.9521 -5.67267 43.1896 -14.522 -35.6605 -15.3982 -13.8194 TIMING: 501200 CPU: 1482.92, 0.00297045/step Wall: 1482.92, 0.00297045/step, 3.71207 hours remaining, 205.761719 MB of memory in use. ENERGY: 501200 703.3182 2137.6136 1950.6429 140.6951 -206024.5535 17682.4997 0.0000 0.0000 34136.2150 -149273.5690 298.1201 -183409.7840 -149173.4423 299.5027 -13.8677 22.4136 557434.1567 3.1890 2.9279 PRESSURE: 501400 -193.681 199.633 -51.5283 199.633 230.91 96.2296 -51.5279 96.2293 50.3586 GPRESSURE: 501400 -139.699 131.502 -13.3204 192.411 251.019 124.17 -35.7035 83.4348 68.6901 PRESSAVG: 501400 32.7748 -7.20509 -29.1605 -7.20509 9.34379 -38.4617 -29.1604 -38.4617 5.72451 GPRESSAVG: 501400 33.2277 -6.81176 -28.9701 -7.58494 9.16926 -36.3958 -28.3269 -39.466 5.72266 TIMING: 501400 CPU: 1483.51, 0.00296627/step Wall: 1483.51, 0.00296627/step, 3.70669 hours remaining, 205.761719 MB of memory in use. ENERGY: 501400 746.0099 2106.8811 1931.7952 109.1699 -206534.7328 17820.2751 0.0000 0.0000 34414.8577 -149405.7440 300.5535 -183820.6017 -149312.5914 299.0905 29.1959 60.0034 556614.4552 15.9477 16.0399 PRESSURE: 501600 -20.4512 54.0535 18.4089 54.0526 247.173 -35.1075 18.4097 -35.1071 122.974 GPRESSURE: 501600 2.50622 167.745 90.1386 -85.8247 258.819 -128.336 -38.8466 31.2723 168.755 PRESSAVG: 501600 -92.659 4.4096 35.113 4.40972 38.5692 -9.31342 35.1129 -9.31347 19.7394 GPRESSAVG: 501600 -92.6678 7.36713 35.5307 1.07756 38.5733 -13.2647 36.0547 -6.74794 19.3763 TIMING: 501600 CPU: 1484.1, 0.00295865/step Wall: 1484.1, 0.00295865/step, 3.697 hours remaining, 205.761719 MB of memory in use. ENERGY: 501600 716.4284 2140.9724 1954.7173 121.5840 -206754.8289 17988.9798 0.0000 0.0000 34494.4247 -149337.7223 301.2484 -183832.1469 -149242.3770 299.2302 116.5651 143.3600 556345.2971 -11.4501 -11.5727 PRESSURE: 501800 -13.5792 -80.7516 -34.2805 -80.7507 -65.7175 157.272 -34.2808 157.272 -89.966 GPRESSURE: 501800 36.0425 -120.55 -95.4317 -28.0703 -43.0231 173.101 -0.234955 176.577 -70.8568 PRESSAVG: 501800 -0.433184 -11.8348 -3.84427 -11.8348 13.7807 23.9022 -3.84432 23.9022 6.67344 GPRESSAVG: 501800 -0.294939 -13.5489 -2.2184 -9.83074 14.0377 26.488 -4.04903 21.0719 5.58707 TIMING: 501800 CPU: 1484.69, 0.00296308/step Wall: 1484.69, 0.00296308/step, 3.70237 hours remaining, 205.761719 MB of memory in use. ENERGY: 501800 750.0288 2050.0340 1977.3179 109.2347 -206512.4531 17915.3071 0.0000 0.0000 34365.4818 -149345.0489 300.1223 -183710.5306 -149247.2944 299.9049 -56.4209 -25.9458 556655.5743 6.6737 6.4433 PRESSURE: 502000 43.7578 -124.914 79.5174 -124.913 -128.547 57.4039 79.5171 57.4052 -70.4226 GPRESSURE: 502000 47.7145 -96.8992 98.0202 -138.469 -117.27 31.1482 41.4255 -47.0056 24.1284 PRESSAVG: 502000 -32.2102 -22.6531 18.9552 -22.6531 2.7196 38.4023 18.9551 38.4022 30.5229 GPRESSAVG: 502000 -32.5388 -23.6151 17.983 -20.2542 1.34914 36.6789 19.2097 39.6691 32.4204 TIMING: 502000 CPU: 1485.29, 0.00296798/step Wall: 1485.29, 0.00296798/step, 3.70832 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: 502000 797.3487 2083.0630 1951.3034 118.8758 -206655.2050 18048.5485 0.0000 0.0000 34409.3027 -149246.7629 300.5050 -183656.0656 -149154.5852 299.3499 -51.7373 -15.1423 557938.6184 0.3441 0.4103 PRESSURE: 502200 -169.153 74.7804 9.39153 74.7807 152.645 23.7461 9.39172 23.7467 -126.021 GPRESSURE: 502200 -120.856 61.8774 19.3911 13.168 187.26 69.8607 30.2036 -68.4764 -122.65 PRESSAVG: 502200 -20.2291 -41.7017 -24.5802 -41.7016 -39.4665 10.9783 -24.5803 10.9782 76.8312 GPRESSAVG: 502200 -20.0537 -38.7578 -23.1739 -42.7837 -38.9797 12.5851 -26.3797 10.2049 76.2271 TIMING: 502200 CPU: 1485.88, 0.00295918/step Wall: 1485.88, 0.00295918/step, 3.69717 hours remaining, 205.761719 MB of memory in use. ENERGY: 502200 737.4871 2061.0816 1968.0638 123.9727 -206257.8283 17847.6125 0.0000 0.0000 34253.8204 -149265.7902 299.1471 -183519.6106 -149168.4661 299.5768 -47.5098 -18.7486 557941.5711 5.7119 5.7312 PRESSURE: 502400 -168.294 -43.1165 -2.51178 -43.1169 -302.996 90.5747 -2.51232 90.5752 -434.653 GPRESSURE: 502400 -113.334 37.7054 -42.122 -110.498 -280.475 148.981 47.4164 87.7324 -423.614 PRESSAVG: 502400 20.4967 14.4182 -15.2281 14.4182 -18.5853 -31.2018 -15.2281 -31.2017 -27.5612 GPRESSAVG: 502400 20.0393 12.9178 -19.0223 13.057 -19.2292 -32.7921 -14.3259 -29.5367 -26.9378 TIMING: 502400 CPU: 1486.47, 0.00297372/step Wall: 1486.47, 0.00297372/step, 3.71517 hours remaining, 205.761719 MB of memory in use. ENERGY: 502400 749.8590 2053.3272 1925.1580 111.1530 -205992.9910 17426.0558 0.0000 0.0000 34259.0493 -149468.3888 299.1928 -183727.4381 -149365.5454 298.6017 -301.9809 -272.4745 558513.7414 -8.5499 -8.7092 PRESSURE: 502600 -169.847 -119.906 156.976 -119.907 -275.804 -2.05318 156.976 -2.05272 -230.964 GPRESSURE: 502600 -160.027 -116.275 105.963 -47.7997 -258.254 64.4099 222.65 -84.703 -177.821 PRESSAVG: 502600 10.0615 -13.442 26.8755 -13.442 -25.5771 -27.9522 26.8755 -27.9521 34.4513 GPRESSAVG: 502600 9.34437 -13.7496 28.9521 -12.651 -24.8631 -27.2204 27.5783 -29.1838 33.8735 TIMING: 502600 CPU: 1487.07, 0.00299366/step Wall: 1487.07, 0.00299366/step, 3.73991 hours remaining, 205.761719 MB of memory in use. ENERGY: 502600 739.8094 2093.6540 1967.6906 123.4733 -205972.2053 17549.3201 0.0000 0.0000 34182.9041 -149315.3539 298.5278 -183498.2580 -149228.2621 298.9807 -225.5383 -198.7009 558503.1186 6.3119 6.1182 PRESSURE: 502800 -184.05 -72.7129 200.198 -72.7122 31.9444 174.631 200.197 174.632 164.263 GPRESSURE: 502800 -183.053 -34.9793 228.573 -124.866 108.602 121.129 105.736 271.095 189.573 PRESSAVG: 502800 -29.9005 -16.0744 18.8395 -16.0744 52.7729 -10.7723 18.8395 -10.7723 -5.86707 GPRESSAVG: 502800 -30.3963 -15.8404 20.0486 -18.1391 54.0796 -9.8275 16.8609 -10.4283 -7.20943 TIMING: 502800 CPU: 1487.67, 0.00297305/step Wall: 1487.67, 0.00297305/step, 3.714 hours remaining, 205.761719 MB of memory in use. ENERGY: 502800 701.2828 2036.6740 1972.0646 104.1247 -206399.7272 17955.1946 0.0000 0.0000 34395.0931 -149235.2934 300.3809 -183630.3865 -149134.3728 299.2690 4.0526 38.3740 558676.1295 5.6684 5.4913 PRESSURE: 503000 -210.547 -117.677 -1.9932 -117.677 83.3248 42.8294 -1.9938 42.8287 99.3593 GPRESSURE: 503000 -162.079 -58.7237 67.492 -126.833 99.8739 80.5407 -31.5986 90.507 119.198 PRESSAVG: 503000 33.6094 6.29268 83.1695 6.29267 19.6087 43.4051 83.1695 43.4051 -69.7145 GPRESSAVG: 503000 34.1993 5.87443 81.3348 7.49746 17.7294 42.7442 83.8491 42.4736 -68.2896 TIMING: 503000 CPU: 1488.26, 0.00296517/step Wall: 1488.26, 0.00296517/step, 3.70399 hours remaining, 205.761719 MB of memory in use. ENERGY: 503000 769.2625 2107.6264 1962.9847 103.7389 -206310.0949 17798.7328 0.0000 0.0000 34188.4076 -149379.3420 298.5759 -183567.7496 -149284.3762 299.0407 -9.2876 18.9976 556909.1519 -5.4988 -5.4537 PRESSURE: 503200 -264.67 -25.3516 20.7078 -25.3508 -163.911 -111.083 20.7077 -111.081 -40.6809 GPRESSURE: 503200 -260.119 -16.4847 2.99485 5.95163 -135.232 -119.604 75.7569 -163.771 18.4099 PRESSAVG: 503200 -33.6964 36.3828 54.7293 36.3828 -4.97789 -13.4064 54.7293 -13.4065 43.0119 GPRESSAVG: 503200 -33.2383 37.0935 53.359 36.798 -5.24975 -12.4528 56.1486 -13.3559 43.1362 TIMING: 503200 CPU: 1488.85, 0.00296102/step Wall: 1488.85, 0.00296102/step, 3.69865 hours remaining, 205.761719 MB of memory in use. ENERGY: 503200 770.0650 2088.1054 1972.1973 100.7200 -206320.0590 17720.0801 0.0000 0.0000 34291.8949 -149376.9962 299.4796 -183668.8912 -149282.6426 299.1098 -156.4208 -125.6470 557062.6711 1.4459 1.5494 PRESSURE: 503400 272.998 -85.0318 145.661 -85.0302 6.51097 -105.969 145.659 -105.969 80.7819 GPRESSURE: 503400 328.02 -144.886 153.273 -72.3393 80.3897 -115.949 255.643 -176.978 47.5397 PRESSAVG: 503400 34.9096 -5.09161 26.9322 -5.09157 29.4731 -22.3396 26.9322 -22.3396 -26.7483 GPRESSAVG: 503400 34.9846 -6.66945 29.5097 -5.56839 30.0327 -23.6133 27.1657 -22.0662 -27.2514 TIMING: 503400 CPU: 1489.44, 0.00295944/step Wall: 1489.44, 0.00295944/step, 3.6965 hours remaining, 205.761719 MB of memory in use. ENERGY: 503400 702.2823 2132.3967 1920.6375 102.1702 -205990.5895 17752.6643 0.0000 0.0000 34002.3842 -149378.0544 296.9513 -183380.4386 -149281.1816 298.4027 120.0970 151.9831 556229.3146 12.5448 12.5886 PRESSURE: 503600 140.41 97.5269 86.827 97.5268 103.378 -111.507 86.8279 -111.508 -202.051 GPRESSURE: 503600 158.145 95.3786 59.3046 160.196 101.504 -160.769 120.845 -42.4711 -117.404 PRESSAVG: 503600 -14.0647 8.25035 44.7407 8.2504 -3.5786 28.5469 44.7407 28.5467 38.5445 GPRESSAVG: 503600 -15.2359 10.5778 44.8856 8.58458 -3.32415 30.5007 42.7977 28.7123 39.5483 TIMING: 503600 CPU: 1490.04, 0.00297388/step Wall: 1490.04, 0.00297388/step, 3.71438 hours remaining, 205.761719 MB of memory in use. ENERGY: 503600 765.7700 2051.8759 1952.6527 103.3490 -206226.3143 17871.0019 0.0000 0.0000 34224.3792 -149257.2855 298.8900 -183481.6648 -149160.4499 298.8526 13.9123 47.4149 557501.8112 6.9671 6.9961 PRESSURE: 503800 186.753 -19.2995 99.8167 -19.3003 121.335 8.77027 99.816 8.7691 153.657 GPRESSURE: 503800 223.293 33.0983 15.5221 46.7063 135.682 4.34162 162.132 59.331 201.541 PRESSAVG: 503800 -0.191315 31.335 24.1568 31.3349 -10.9463 -36.6047 24.1568 -36.6046 22.265 GPRESSAVG: 503800 0.432189 30.7511 21.5007 31.6187 -11.4529 -40.3898 25.7411 -32.8598 22.3687 TIMING: 503800 CPU: 1490.63, 0.00295801/step Wall: 1490.63, 0.00295801/step, 3.6944 hours remaining, 205.761719 MB of memory in use. ENERGY: 503800 716.2262 2067.0271 1944.3257 98.0047 -206316.9670 18035.0992 0.0000 0.0000 34204.6335 -149251.6506 298.7176 -183456.2841 -149144.4893 298.3868 153.9153 186.8387 557962.5588 3.7091 3.7827 PRESSURE: 504000 130.136 -28.2935 -161.765 -28.2948 -193.938 -20.1813 -161.764 -20.1814 -115.421 GPRESSURE: 504000 150.636 -34.4315 -202.007 -27.9344 -173.268 -44.5993 -116.649 -45.0478 -60.1476 PRESSAVG: 504000 74.6407 -3.18047 1.18938 -3.18051 -30.0144 -0.397095 1.18948 -0.397091 -38.5705 GPRESSAVG: 504000 75.0374 -1.39338 3.42452 -2.82945 -29.3908 0.859915 0.330396 -4.57894 -39.6193 TIMING: 504000 CPU: 1491.22, 0.00296157/step Wall: 1491.22, 0.00296157/step, 3.69867 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: 504000 752.9245 2149.0802 1942.6632 102.5492 -206130.4907 17737.9878 0.0000 0.0000 34168.6147 -149276.6711 298.4030 -183445.2858 -149187.0687 298.8178 -59.7410 -27.5932 557696.1572 2.0186 2.0091 PRESSURE: 504200 79.092 -38.1367 -162.447 -38.1365 -157.584 -54.1178 -162.448 -54.1195 -5.97614 GPRESSURE: 504200 113.528 -159.348 -116.59 -39.2432 -97.4522 42.5358 -198.543 -6.073 5.0674 PRESSAVG: 504200 29.7806 0.596703 44.9811 0.596719 15.4122 -20.2357 44.9811 -20.2356 -33.1896 GPRESSAVG: 504200 30.0318 -1.56533 45.2375 -2.28534 15.4992 -18.7321 44.8801 -20.7561 -33.3795 TIMING: 504200 CPU: 1491.82, 0.00296421/step Wall: 1491.82, 0.00296421/step, 3.70181 hours remaining, 205.761719 MB of memory in use. ENERGY: 504200 724.4076 2135.8454 1964.1966 124.2031 -206607.0879 17895.8844 0.0000 0.0000 34366.7424 -149395.8085 300.1333 -183762.5510 -149305.9129 299.0321 -28.1562 7.0477 555853.2249 4.0010 4.0505 LDB: ============= START OF LOAD BALANCING ============== 1495.24 LDB: ============== END OF LOAD BALANCING =============== 1495.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1495.24 LDB: ============= START OF LOAD BALANCING ============== 1495.54 LDB: Largest compute 4848 load 0.030212 is 25.7% of average load 0.117732 LDB: Average compute 0.001737 is 1.5% of average load 0.117732 LDB: TIME 1495.55 LOAD: AVG 0.117732 MAX 0.196937 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.008 MB LDB: TIME 1495.55 LOAD: AVG 0.117732 MAX 0.196937 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: TIME 1495.55 LOAD: AVG 0.117732 MAX 0.196937 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1495.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1495.55 PRESSURE: 504400 13.2471 164.497 -4.01906 164.496 41.0657 -8.98894 -4.01932 -8.98843 -187.71 GPRESSURE: 504400 32.4212 161.829 -39.2705 110.494 77.5425 -33.1838 27.8915 32.8915 -147.059 PRESSAVG: 504400 66.5253 27.3312 36.1131 27.3311 41.0331 -8.96104 36.1131 -8.96118 -103.253 GPRESSAVG: 504400 67.4314 28.506 38.1592 29.5148 39.489 -8.92191 34.5195 -7.80432 -102.882 TIMING: 504400 CPU: 1492.42, 0.00303531/step Wall: 1492.42, 0.00303531/step, 3.79043 hours remaining, 204.843750 MB of memory in use. ENERGY: 504400 724.8310 2093.7685 1963.3784 99.0505 -206376.3463 17721.4093 0.0000 0.0000 34318.2732 -149455.6354 299.7100 -183773.9086 -149361.5851 298.9810 -44.4657 -12.3652 558392.7842 1.4352 1.3460 PRESSURE: 504600 143.028 24.8228 64.9298 24.8215 -173.082 -183.127 64.9295 -183.127 -21.2966 GPRESSURE: 504600 227.184 14.9711 -15.3542 49.9459 -174.664 -165.353 94.8744 -113.934 6.98334 PRESSAVG: 504600 -3.44427 -1.02892 -29.2387 -1.02891 -2.8883 -4.48607 -29.2388 -4.48595 -18.3097 GPRESSAVG: 504600 -4.54054 -2.76442 -30.5677 -1.67707 -2.55205 -3.55728 -29.1971 -4.68004 -17.7798 TIMING: 504600 CPU: 1493.02, 0.002982/step Wall: 1493.02, 0.002982/step, 3.72369 hours remaining, 205.046875 MB of memory in use. ENERGY: 504600 723.3912 2118.4648 1942.7251 93.5132 -206529.2116 18048.8403 0.0000 0.0000 34172.2710 -149430.0060 298.4349 -183602.2770 -149331.1388 298.4405 -17.1168 19.8342 559460.8690 -8.2141 -8.2908 PRESSURE: 504800 -60.8161 68.2918 -54.3108 68.2917 -74.6713 -111.086 -54.3098 -111.085 -270.58 GPRESSURE: 504800 -69.4633 -9.27788 -12.3771 179.264 -97.424 -80.9635 -57.2446 -193.556 -167.017 PRESSAVG: 504800 -40.0202 43.4606 37.2453 43.4607 -13.0253 3.96777 37.2452 3.96776 7.21037 GPRESSAVG: 504800 -40.7066 41.9893 37.0471 44.4638 -12.5557 2.28465 38.4766 4.8819 7.91979 TIMING: 504800 CPU: 1493.61, 0.00296075/step Wall: 1493.61, 0.00296075/step, 3.69699 hours remaining, 205.046875 MB of memory in use. ENERGY: 504800 734.1003 2101.5548 1935.9967 115.5785 -206430.3708 17820.2987 0.0000 0.0000 34303.5765 -149419.2654 299.5817 -183722.8418 -149314.5017 299.2632 -135.3556 -111.3014 557931.1627 -15.2784 -15.1142 PRESSURE: 505000 -16.4218 22.1394 137.34 22.138 32.2824 47.718 137.34 47.7184 -153.288 GPRESSURE: 505000 11.7208 -20.6003 162.247 74.4608 66.2754 39.0514 152.691 88.6918 -124.958 PRESSAVG: 505000 -37.129 -30.9155 31.0951 -30.9155 42.3881 -17.8359 31.095 -17.8358 -18.9719 GPRESSAVG: 505000 -35.8717 -30.1949 28.9518 -30.5911 42.4176 -17.8963 31.4853 -18.1914 -19.9408 TIMING: 505000 CPU: 1494.21, 0.00300114/step Wall: 1494.21, 0.00300114/step, 3.74725 hours remaining, 205.046875 MB of memory in use. ENERGY: 505000 811.4536 2113.4061 1927.6301 116.1900 -206393.0879 17852.4200 0.0000 0.0000 34057.8521 -149514.1361 297.4357 -183571.9882 -149415.3190 298.6901 -45.8091 -15.6539 556824.4221 -4.5709 -4.4650 PRESSURE: 505200 12.0336 -90.9802 12.7145 -90.9801 298.947 -16.8617 12.715 -16.8615 78.4113 GPRESSURE: 505200 9.80146 -84.9923 -3.76408 -122.184 341.301 -21.8595 81.6508 -3.33556 138.394 PRESSAVG: 505200 12.2554 0.596817 -23.7028 0.596792 53.2783 53.0479 -23.7028 53.0479 -61.9266 GPRESSAVG: 505200 10.3376 1.31215 -23.2718 0.125261 54.418 50.7122 -22.8424 54.7567 -60.6265 TIMING: 505200 CPU: 1494.81, 0.00299757/step Wall: 1494.81, 0.00299757/step, 3.74264 hours remaining, 205.046875 MB of memory in use. ENERGY: 505200 712.0380 2114.8428 1938.7111 115.6059 -206573.1020 17934.4189 0.0000 0.0000 34124.4628 -149633.0225 298.0174 -183757.4853 -149540.0716 298.3079 129.7972 163.1656 554837.3263 1.2024 1.3764 PRESSURE: 505400 -12.0065 -83.266 -34.909 -83.2652 -37.4898 -61.1447 -34.9091 -61.1449 172.179 GPRESSURE: 505400 32.0375 -202.847 -106.832 25.8368 15.0702 -61.4614 18.7082 -9.1263 174.677 PRESSAVG: 505400 -23.7954 -132.135 -28.8938 -132.135 26.8914 -1.31081 -28.8938 -1.31072 59.5465 GPRESSAVG: 505400 -22.0543 -132.251 -28.7327 -131.427 24.9284 2.1016 -30.16 -1.99719 59.7146 TIMING: 505400 CPU: 1495.4, 0.0029641/step Wall: 1495.4, 0.0029641/step, 3.70068 hours remaining, 205.128906 MB of memory in use. ENERGY: 505400 729.3255 2127.5441 1965.5837 121.5595 -206135.4550 17783.0138 0.0000 0.0000 34027.5283 -149380.9001 297.1709 -183408.4285 -149288.0073 298.3692 40.8943 73.9281 556501.2178 20.8809 20.8629 PRESSURE: 505600 -141.782 -33.8582 -109.413 -33.8593 13.1222 130.844 -109.412 130.844 -189.083 GPRESSURE: 505600 -68.9312 -82.0241 -188.614 -37.842 10.9495 62.921 -148.761 136.374 -160.26 PRESSAVG: 505600 35.5184 -19.2336 -62.3651 -19.2336 -52.3029 9.78474 -62.3651 9.78472 10.1098 GPRESSAVG: 505600 35.6876 -19.7345 -60.9519 -19.3727 -51.0212 7.34991 -63.2147 8.74584 8.61625 TIMING: 505600 CPU: 1496, 0.00297049/step Wall: 1496, 0.00297049/step, 3.70849 hours remaining, 205.128906 MB of memory in use. ENERGY: 505600 782.3742 2084.7191 1953.9314 104.3374 -206093.8347 17577.9765 0.0000 0.0000 34295.1772 -149295.3189 299.5083 -183590.4961 -149202.5825 299.7643 -105.9140 -72.7473 555202.0162 -2.2249 -2.2391 PRESSURE: 505800 -282.368 -139.203 100.016 -139.203 -61.9158 195.966 100.017 195.965 29.1189 GPRESSURE: 505800 -231.115 -104.36 85.9239 -111.325 -26.0407 160.652 55.6079 212.438 43.3911 PRESSAVG: 505800 -34.0225 -61.6286 -53.7746 -61.6287 -15.9254 -5.38886 -53.7745 -5.38889 42.5637 GPRESSAVG: 505800 -35.1209 -60.2938 -51.4522 -61.2753 -16.2947 -3.53493 -53.5324 -5.99167 43.9642 TIMING: 505800 CPU: 1496.59, 0.00294919/step Wall: 1496.59, 0.00294919/step, 3.68174 hours remaining, 205.128906 MB of memory in use. ENERGY: 505800 775.8120 2092.1754 1954.1513 109.2825 -206258.1410 17580.7856 0.0000 0.0000 34305.5709 -149440.3633 299.5991 -183745.9343 -149346.6469 299.2160 -105.0551 -71.2548 554649.3330 -2.4614 -2.4838 PRESSURE: 506000 71.4875 -92.6694 -141.611 -92.6702 -66.4803 -23.4424 -141.611 -23.4427 -278.432 GPRESSURE: 506000 98.1937 -124.365 -172.412 -69.3282 -15.5214 -68.3257 -134.315 -11.8683 -261.659 PRESSAVG: 506000 -5.01218 -34.2635 -12.1381 -34.2635 11.4014 -59.3162 -12.1382 -59.3161 12.434 GPRESSAVG: 506000 -3.96872 -35.2717 -15.983 -34.7956 11.1257 -60.4071 -11.345 -59.6966 11.8176 TIMING: 506000 CPU: 1497.18, 0.00298351/step Wall: 1497.18, 0.00298351/step, 3.72441 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: 506000 719.1856 2148.4052 1935.9568 118.5016 -205906.6499 17547.1241 0.0000 0.0000 34226.3888 -149211.0878 298.9076 -183437.4766 -149115.9838 299.2390 -91.1415 -59.6621 557664.7377 6.2744 6.3248 PRESSURE: 506200 175.784 -2.35043 53.2855 -2.35003 529.348 -33.019 53.285 -33.0171 208.184 GPRESSURE: 506200 142.05 -3.37118 19.2028 -27.3879 605.425 -60.3228 159.493 -14.9744 253.209 PRESSAVG: 506200 -30.4999 -21.3003 -16.7823 -21.3002 3.81243 23.6767 -16.7824 23.6767 19.343 GPRESSAVG: 506200 -31.7372 -20.9701 -15.2287 -21.3501 4.23912 24.531 -18.8505 24.9132 19.3073 TIMING: 506200 CPU: 1497.78, 0.0029695/step Wall: 1497.78, 0.0029695/step, 3.70676 hours remaining, 205.128906 MB of memory in use. ENERGY: 506200 725.4107 2150.3729 1954.5083 117.9715 -206636.5528 18100.0019 0.0000 0.0000 34394.3832 -149193.9042 300.3747 -183588.2874 -149111.2570 299.1901 304.4384 333.5615 555759.8300 -2.4481 -2.7302 PRESSURE: 506400 49.1076 148.234 -119.2 148.232 373.229 43.9637 -119.2 43.9632 203.763 GPRESSURE: 506400 77.9326 131.636 -170.542 117.613 496.242 -38.3554 -38.9771 67.6044 153.085 PRESSAVG: 506400 -64.7053 2.17016 -0.320549 2.17025 25.1045 -16.3055 -0.320518 -16.3055 44.4312 GPRESSAVG: 506400 -64.7896 1.3542 -0.687442 3.16794 24.7931 -17.0574 1.95054 -17.2329 45.2357 TIMING: 506400 CPU: 1498.37, 0.00297746/step Wall: 1498.37, 0.00297746/step, 3.71653 hours remaining, 205.128906 MB of memory in use. ENERGY: 506400 732.3748 2108.9934 1946.2792 123.1318 -206319.0222 18011.3902 0.0000 0.0000 34108.4069 -149288.4458 297.8772 -183396.8527 -149195.0393 298.9561 208.6999 242.4199 556309.1923 1.6101 1.7464 PRESSURE: 506600 -22.7798 87.7247 -84.5962 87.7254 82.1119 81.0946 -84.5965 81.0939 -18.8695 GPRESSURE: 506600 -10.7889 40.4101 -33.164 88.7196 94.2854 88.6633 -72.3868 86.6112 59.2154 PRESSAVG: 506600 -37.567 80.1209 20.1789 80.1209 31.1912 0.426151 20.1789 0.426055 36.4248 GPRESSAVG: 506600 -37.4309 80.8211 20.3931 78.6688 30.8924 0.961835 18.615 0.374068 35.9121 TIMING: 506600 CPU: 1498.97, 0.00298718/step Wall: 1498.97, 0.00298718/step, 3.7285 hours remaining, 205.128906 MB of memory in use. ENERGY: 506600 731.9353 2073.9124 1928.1376 118.5350 -206337.8847 17813.6264 0.0000 0.0000 34343.1104 -149328.6275 299.9269 -183671.7379 -149223.6024 299.0522 13.4875 47.5706 556437.4151 10.0164 9.7912 PRESSURE: 506800 -123.975 -3.7096 -30.6321 -3.71002 18.1879 -60.0721 -30.6331 -60.072 -51.6674 GPRESSURE: 506800 -54.3692 -38.1798 -31.5828 54.4712 29.3035 -54.2266 -41.7315 -6.31134 -31.9681 PRESSAVG: 506800 28.661 -9.55436 -35.2058 -9.55443 1.23195 -16.8535 -35.2057 -16.8535 18.6316 GPRESSAVG: 506800 28.6019 -9.44296 -35.4334 -9.52556 1.4404 -15.74 -34.1533 -16.8841 18.5843 TIMING: 506800 CPU: 1499.57, 0.00297256/step Wall: 1499.57, 0.00297256/step, 3.71008 hours remaining, 205.128906 MB of memory in use. ENERGY: 506800 749.5923 2099.2388 1948.0670 109.9653 -206416.5733 17918.9290 0.0000 0.0000 34161.5098 -149429.2712 298.3410 -183590.7809 -149326.9890 298.4827 -52.4850 -19.0113 557795.9506 16.1748 16.2089 PRESSURE: 507000 17.7111 24.3562 95.9186 24.3553 109.313 84.2031 95.9201 84.2016 10.925 GPRESSURE: 507000 60.0214 18.8654 55.8862 6.45797 141.197 18.6034 132.005 131.616 37.2589 PRESSAVG: 507000 -18.377 -8.61551 9.26436 -8.61555 -33.0414 -18.3937 9.26432 -18.3939 64.7427 GPRESSAVG: 507000 -17.7723 -10.8483 8.19965 -7.79553 -32.2707 -18.3201 8.65712 -17.87 63.4161 TIMING: 507000 CPU: 1500.16, 0.00295535/step Wall: 1500.16, 0.00295535/step, 3.68844 hours remaining, 205.128906 MB of memory in use. ENERGY: 507000 716.7660 2114.5764 1935.2482 118.9660 -206276.5262 17887.5497 0.0000 0.0000 33983.7595 -149519.6604 296.7886 -183503.4199 -149418.6088 298.5209 45.9829 79.4924 558165.2271 4.4414 4.4577 PRESSURE: 507200 85.1114 47.5604 81.2119 47.5608 226.375 106.169 81.2134 106.169 -97.0801 GPRESSURE: 507200 128.885 110.417 46.4748 101.959 233.594 115.067 65.2717 112.883 -47.5394 PRESSAVG: 507200 0.0911901 -18.5918 -14.2464 -18.5919 -8.27918 42.1318 -14.2464 42.1318 5.5442 GPRESSAVG: 507200 -0.839061 -17.951 -12.7973 -16.426 -9.74866 40.3099 -14.9609 43.3191 7.85268 TIMING: 507200 CPU: 1500.75, 0.00298335/step Wall: 1500.75, 0.00298336/step, 3.72323 hours remaining, 205.128906 MB of memory in use. ENERGY: 507200 753.4161 2106.0552 1929.1435 112.1955 -206753.3396 18010.9641 0.0000 0.0000 34299.5058 -149542.0594 299.5461 -183841.5652 -149443.3526 298.0489 71.4689 104.9798 557611.5028 -0.8813 -0.9117 PRESSURE: 507400 86.1265 14.347 -50.668 14.3494 -87.6497 36.4349 -50.668 36.4348 -0.470831 GPRESSURE: 507400 97.8949 10.7719 -79.0542 43.788 -89.6135 -36.3332 -14.2233 48.8489 79.6776 PRESSAVG: 507400 27.7779 16.5439 8.19681 16.5439 -66.7671 -21.0378 8.19674 -21.0378 -9.67075 GPRESSAVG: 507400 27.8888 17.7934 6.96271 14.6423 -66.5192 -21.2773 10.6888 -22.172 -9.91515 TIMING: 507400 CPU: 1501.35, 0.00296459/step Wall: 1501.35, 0.00296459/step, 3.69964 hours remaining, 205.128906 MB of memory in use. ENERGY: 507400 734.4157 2125.9560 1955.3559 117.2425 -206580.4002 17757.8737 0.0000 0.0000 34290.9758 -149598.5807 299.4716 -183889.5565 -149510.5870 297.9435 -0.6647 29.3197 557389.0456 -16.2200 -16.1819 PRESSURE: 507600 10.4166 -125.332 38.9699 -125.332 248.818 -152.535 38.9708 -152.534 241.184 GPRESSURE: 507600 38.8919 -84.3254 -30.7274 -201.969 294.982 -104.282 177.323 -252.569 259.15 PRESSAVG: 507600 19.2552 36.7299 -35.6524 36.7299 -39.5366 -36.9307 -35.6523 -36.9306 22.7015 GPRESSAVG: 507600 18.3676 36.4014 -33.9176 36.4614 -38.3072 -35.7946 -38.0412 -36.343 22.6122 TIMING: 507600 CPU: 1501.94, 0.00295138/step Wall: 1501.94, 0.00295138/step, 3.68299 hours remaining, 205.128906 MB of memory in use. ENERGY: 507600 756.8625 2134.1540 1940.2407 107.9091 -206461.6560 18072.6971 0.0000 0.0000 34113.1011 -149336.6915 297.9182 -183449.7926 -149236.5878 298.4516 166.8062 197.6747 556963.3148 0.8067 0.8909 PRESSURE: 507800 253.705 214.989 -96.0255 214.99 30.6311 70.6344 -96.0251 70.6332 88.4834 GPRESSURE: 507800 257.247 162.801 -8.94984 184.064 75.1347 70.5076 -82.0235 127.77 147.239 PRESSAVG: 507800 -39.9533 -33.1703 -2.1644 -33.1702 -42.1188 -15.1151 -2.16438 -15.1151 67.2791 GPRESSAVG: 507800 -38.8047 -32.7968 -2.79067 -32.3064 -43.2075 -17.1418 -3.04271 -14.5235 66.9769 TIMING: 507800 CPU: 1502.53, 0.00298303/step Wall: 1502.53, 0.00298303/step, 3.72232 hours remaining, 205.128906 MB of memory in use. ENERGY: 507800 732.0995 2103.6124 1955.9383 125.1785 -206714.6417 18234.8215 0.0000 0.0000 34145.5666 -149417.4250 298.2017 -183562.9916 -149312.6091 298.9267 124.2732 159.8738 557377.5705 -4.9310 -5.0118 PRESSURE: 508000 131.026 26.4648 -117.733 26.4655 -270.208 -5.9947 -117.732 -5.99574 -49.5685 GPRESSURE: 508000 171.843 -41.988 -81.301 46.5131 -218.952 -55.9671 -111.258 -59.8652 -31.7735 PRESSAVG: 508000 70.0603 -33.8734 10.1619 -33.8733 -14.7415 6.04742 10.162 6.04737 -30.7949 GPRESSAVG: 508000 70.3381 -33.7232 10.4079 -36.0049 -14.9194 5.0411 11.4087 4.5904 -30.9844 TIMING: 508000 CPU: 1503.13, 0.00298255/step Wall: 1503.13, 0.00298255/step, 3.72156 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: 508000 756.1782 2051.1991 1967.8881 111.9583 -206216.8122 17743.3223 0.0000 0.0000 34318.2916 -149267.9745 299.7102 -183586.2662 -149175.6452 298.7592 -62.9166 -26.2941 558721.1519 8.1746 8.1448 PRESSURE: 508200 59.7966 -75.7773 -110.055 -75.7774 -253.797 -111.144 -110.055 -111.143 -150.648 GPRESSURE: 508200 47.363 -50.0796 -123.554 -12.6748 -175.101 -81.2019 -154.51 -116.749 -103.794 PRESSAVG: 508200 47.2414 11.6098 3.20152 11.6098 -71.8014 -4.77994 3.20147 -4.78008 -12.7283 GPRESSAVG: 508200 46.318 9.95658 1.55531 13.5401 -70.4988 -1.28256 1.62927 -5.4063 -12.7888 TIMING: 508200 CPU: 1503.72, 0.00295958/step Wall: 1503.72, 0.00295958/step, 3.69273 hours remaining, 205.128906 MB of memory in use. ENERGY: 508200 740.8697 2134.5656 1952.4694 113.0215 -205990.1846 17695.6294 0.0000 0.0000 34025.0115 -149328.6176 297.1489 -183353.6291 -149231.7862 298.7207 -114.8831 -77.1774 558760.5434 -12.4294 -12.3232 LDB: ============= START OF LOAD BALANCING ============== 1507.15 LDB: ============== END OF LOAD BALANCING =============== 1507.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1507.15 LDB: ============= START OF LOAD BALANCING ============== 1507.45 LDB: Largest compute 4848 load 0.030893 is 26.2% of average load 0.117767 LDB: Average compute 0.001724 is 1.5% of average load 0.117767 LDB: TIME 1507.45 LOAD: AVG 0.117767 MAX 0.19662 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.754 MB LDB: TIME 1507.45 LOAD: AVG 0.117767 MAX 0.19662 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.984 MB LDB: TIME 1507.45 LOAD: AVG 0.117767 MAX 0.19662 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.984 MB LDB: ============== END OF LOAD BALANCING =============== 1507.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1507.46 PRESSURE: 508400 126.332 3.89043 99.3016 3.89005 -66.4895 -192.803 99.3012 -192.804 -111.592 GPRESSURE: 508400 136.961 -9.61449 232.915 -24.6553 17.903 -114.304 96.6233 -198.248 -107.716 PRESSAVG: 508400 22.7149 -42.5873 29.6568 -42.5872 2.29092 3.52428 29.6568 3.52417 21.5246 GPRESSAVG: 508400 23.0358 -40.9484 28.0896 -42.2832 2.10707 1.87631 33.7537 3.97682 21.4706 TIMING: 508400 CPU: 1504.33, 0.00303165/step Wall: 1504.33, 0.00303165/step, 3.78248 hours remaining, 205.011719 MB of memory in use. ENERGY: 508400 762.9924 2138.7875 1948.5408 128.7071 -206199.3598 17791.5457 0.0000 0.0000 34026.4508 -149402.3355 297.1615 -183428.7863 -149315.9131 299.0347 -17.2495 15.7160 557130.3725 15.5101 15.5378 PRESSURE: 508600 7.51551 -78.7617 143.531 -78.762 -46.8485 30.0017 143.531 30.0013 49.7666 GPRESSURE: 508600 14.5823 -65.208 131.602 -120.763 37.922 -19.0207 136.737 96.345 49.2068 PRESSAVG: 508600 60.5849 -42.8018 -7.07703 -42.8018 70.7975 9.01221 -7.07705 9.0122 -131.353 GPRESSAVG: 508600 60.4134 -43.3591 -6.05702 -43.8251 69.9844 8.2029 -9.40513 10.8963 -130.362 TIMING: 508600 CPU: 1504.92, 0.00296996/step Wall: 1504.92, 0.00296996/step, 3.70535 hours remaining, 205.335938 MB of memory in use. ENERGY: 508600 788.3496 2119.6352 1961.3241 127.7341 -206507.9820 17974.1932 0.0000 0.0000 34108.1372 -149428.6086 297.8748 -183536.7459 -149335.8155 298.9275 3.4779 33.9037 557428.9723 0.0099 0.0118 PRESSURE: 508800 -156.229 44.3822 -148.678 44.3815 7.56441 -62.479 -148.679 -62.4787 -260.945 GPRESSURE: 508800 -101.203 -27.5986 -184.279 68.8002 -7.33033 -62.9336 -113.768 -16.4427 -210.316 PRESSAVG: 508800 24.7679 21.1035 -3.65681 21.1034 7.11004 -39.0724 -3.65684 -39.0723 -56.4336 GPRESSAVG: 508800 24.9212 21.2298 -1.97387 22.3256 6.99836 -41.185 -4.33774 -38.8718 -56.7682 TIMING: 508800 CPU: 1505.51, 0.00295974/step Wall: 1505.51, 0.00295974/step, 3.69244 hours remaining, 205.335938 MB of memory in use. ENERGY: 508800 741.1971 2138.4828 1984.9177 106.0882 -205989.7210 17546.9212 0.0000 0.0000 34142.0714 -149330.0425 298.1712 -183472.1139 -149236.1734 298.6533 -136.5365 -106.2831 557213.1293 -8.1852 -8.2829 PRESSURE: 509000 -171.436 -209.434 102.383 -209.433 118.451 43.2722 102.383 43.2722 73.0793 GPRESSURE: 509000 -88.1994 -188.635 110.425 -234.284 131.523 53.9859 121.177 71.057 64.8227 PRESSAVG: 509000 -18.9901 -17.2783 43.1274 -17.2783 -32.3318 -3.58399 43.1273 -3.584 41.8712 GPRESSAVG: 509000 -19.0299 -15.698 44.1467 -18.527 -31.9333 -0.487006 42.9242 -5.14432 40.8319 TIMING: 509000 CPU: 1506.1, 0.00293976/step Wall: 1506.1, 0.00293976/step, 3.66735 hours remaining, 205.335938 MB of memory in use. ENERGY: 509000 737.5362 2147.6312 1987.4985 102.0515 -206249.6410 17763.9245 0.0000 0.0000 34113.2945 -149397.7047 297.9199 -183510.9991 -149308.3539 298.8809 6.6980 36.0487 556588.7095 -3.1502 -3.3771 PRESSURE: 509200 -74.2685 -19.9614 36.968 -19.9598 -147.991 238.043 36.9674 238.044 -89.133 GPRESSURE: 509200 -37.3976 -25.1734 -51.0958 25.3008 -157.843 258.668 124.608 209.473 -35.0348 PRESSAVG: 509200 -45.2926 43.275 25.1455 43.275 42.7457 103.239 25.1456 103.239 4.95929 GPRESSAVG: 509200 -44.993 42.7186 21.6049 45.2429 41.62 101.622 24.9493 103.507 6.03692 TIMING: 509200 CPU: 1506.69, 0.00294405/step Wall: 1506.69, 0.00294405/step, 3.67254 hours remaining, 205.335938 MB of memory in use. ENERGY: 509200 773.6096 2091.3328 1961.6028 111.9020 -206513.8902 17645.2877 0.0000 0.0000 34387.1758 -149542.9795 300.3118 -183930.1553 -149442.6912 298.8114 -103.7974 -76.7586 557029.7194 0.8041 0.8880 PRESSURE: 509400 -174.646 165.856 -35.0282 165.856 97.8947 17.8962 -35.0281 17.8947 208.766 GPRESSURE: 509400 -124.306 100.655 -17.4197 152.93 145.253 97.4891 -102.568 -27.2462 200.163 PRESSAVG: 509400 -28.7863 58.509 -47.0578 58.5089 -17.379 10.1208 -47.0578 10.1208 60.5963 GPRESSAVG: 509400 -28.4995 57.8731 -44.3443 55.9856 -16.5375 11.3327 -46.7296 10.1959 59.3752 TIMING: 509400 CPU: 1507.28, 0.00294881/step Wall: 1507.28, 0.00294881/step, 3.67831 hours remaining, 205.335938 MB of memory in use. ENERGY: 509400 749.2760 2067.2101 1940.3761 108.8836 -206752.3692 17972.9532 0.0000 0.0000 34119.0736 -149794.5965 297.9704 -183913.6701 -149694.7202 297.4698 44.0049 73.7034 554377.6144 4.8103 4.7794 PRESSURE: 509600 74.1182 -7.36186 -159.613 -7.36169 -159.052 54.2447 -159.613 54.2451 163.383 GPRESSURE: 509600 114.326 49.543 -182.043 -57.0953 -161.623 64.9937 -187.028 -52.9031 225.73 PRESSAVG: 509600 29.5451 38.4534 -17.0694 38.4534 -82.3209 -24.3224 -17.0695 -24.3225 113.32 GPRESSAVG: 509600 29.1268 38.2621 -18.9606 39.1391 -83.0118 -21.7159 -16.937 -27.3769 113.941 TIMING: 509600 CPU: 1507.87, 0.00294935/step Wall: 1507.87, 0.00294935/step, 3.67882 hours remaining, 205.335938 MB of memory in use. ENERGY: 509600 803.3575 2034.9373 1955.5102 114.2533 -206811.3608 17771.6741 0.0000 0.0000 34272.6645 -149858.9639 299.3117 -184131.6284 -149761.3358 297.7589 26.1498 59.4776 555592.8938 20.1815 20.0186 PRESSURE: 509800 147.587 107.566 42.272 107.567 -102.277 -177.395 42.2707 -177.394 62.9037 GPRESSURE: 509800 149.67 120.515 62.3874 58.3939 -27.7123 -226.078 89.3829 -105.092 98.1337 PRESSAVG: 509800 -38.4656 41.3871 -33.7037 41.387 19.6007 28.4099 -33.7036 28.4099 82.3908 GPRESSAVG: 509800 -39.155 40.9575 -33.2934 43.9927 20.684 26.331 -33.9533 31.1629 82.5419 TIMING: 509800 CPU: 1508.46, 0.00296056/step Wall: 1508.46, 0.00296056/step, 3.69264 hours remaining, 205.335938 MB of memory in use. ENERGY: 509800 767.6435 2107.9100 1954.2337 118.1459 -206788.0473 17931.8208 0.0000 0.0000 33906.7618 -150001.5316 296.1162 -183908.2934 -149904.6372 296.8540 36.0712 73.3640 555333.7239 21.1753 21.3569 PRESSURE: 510000 -381.755 58.7745 124.829 58.7744 -102.706 -15.242 124.83 -15.2412 -143.347 GPRESSURE: 510000 -425.586 -60.1708 119.014 135.777 -59.2355 -47.1621 129.877 42.7505 -50.7271 PRESSAVG: 510000 -13.2278 -38.8711 -17.9951 -38.8713 6.06893 47.1054 -17.9951 47.1055 52.496 GPRESSAVG: 510000 -13.0145 -37.2643 -19.1292 -38.5972 5.54275 47.5105 -17.015 46.1305 52.2516 TIMING: 510000 CPU: 1509.06, 0.00297668/step Wall: 1509.06, 0.00297668/step, 3.71258 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: 510000 750.0630 2117.2877 1978.2956 121.7953 -206124.8576 17514.9212 0.0000 0.0000 33773.4525 -149869.0423 294.9520 -183642.4948 -149771.3104 296.8310 -209.2697 -178.5163 557567.8036 15.1124 14.9266 PRESSURE: 510200 124.672 -164.365 -99.6529 -164.365 -248.919 51.0674 -99.6537 51.0673 -262.993 GPRESSURE: 510200 147.575 -135.353 -14.6862 -143.425 -206.532 111.736 -86.4594 43.4814 -215.944 PRESSAVG: 510200 40.5329 -54.2856 -9.89893 -54.2856 -84.2484 29.9625 -9.89889 29.9625 14.2691 GPRESSAVG: 510200 40.7262 -54.467 -8.2428 -56.232 -82.4458 27.4845 -11.4362 31.5652 12.3842 TIMING: 510200 CPU: 1509.65, 0.00297967/step Wall: 1509.65, 0.00297967/step, 3.71615 hours remaining, 205.335938 MB of memory in use. ENERGY: 510200 749.5054 2149.2841 1944.5087 101.8381 -206375.1404 17779.4734 0.0000 0.0000 33979.1886 -149671.3420 296.7487 -183650.5306 -149581.4968 297.9521 -129.0796 -91.6337 556765.7250 -9.8155 -9.7785 PRESSURE: 510400 -234.732 106.076 -9.67477 106.076 -223.668 210.752 -9.67383 210.752 -102.697 GPRESSURE: 510400 -190.142 82.7228 11.0962 82.1437 -207.209 266.994 15.1045 95.0145 -70.5538 PRESSAVG: 510400 -51.6477 -19.1 -14.6946 -19.1001 22.0218 -11.0889 -14.6945 -11.0888 84.2243 GPRESSAVG: 510400 -52.0125 -19.3637 -14.2995 -20.2748 20.5377 -11.5863 -15.5549 -10.2963 86.1036 TIMING: 510400 CPU: 1510.25, 0.00297246/step Wall: 1510.25, 0.00297246/step, 3.70699 hours remaining, 205.335938 MB of memory in use. ENERGY: 510400 780.8078 2157.6095 1974.2343 105.3008 -206752.4604 17775.9210 0.0000 0.0000 34072.5943 -149885.9927 297.5644 -183958.5870 -149790.7093 298.2356 -187.0323 -155.9682 556868.3902 18.1994 18.2096 PRESSURE: 510600 -33.9787 48.4947 199.246 48.4947 5.60329 -14.4379 199.244 -14.4368 9.78241 GPRESSURE: 510600 5.51241 69.8789 156.472 7.12883 47.7271 -36.8393 93.0236 -56.2851 30.7634 PRESSAVG: 510600 6.01566 -25.9356 -4.05174 -25.9356 11.0488 18.3168 -4.05175 18.3168 -15.0066 GPRESSAVG: 510600 5.67072 -26.7108 -5.86451 -25.3808 10.8089 20.9564 -2.12899 17.1041 -14.3138 TIMING: 510600 CPU: 1510.84, 0.00296006/step Wall: 1510.84, 0.00296006/step, 3.69135 hours remaining, 205.335938 MB of memory in use. ENERGY: 510600 756.8079 2138.4977 1932.9396 127.8495 -206869.9902 17949.4829 0.0000 0.0000 34198.6575 -149765.7550 298.6654 -183964.4125 -149663.8619 297.7649 -6.1977 28.0010 555601.9039 0.6859 0.7219 PRESSURE: 510800 -191.904 -22.651 122.111 -22.651 -107.684 -75.292 122.111 -75.291 40.9166 GPRESSURE: 510800 -208.536 -102.65 114.835 7.52779 -7.85487 -56.0919 117.884 -83.8558 48.6152 PRESSAVG: 510800 -28.1752 -14.9637 50.7421 -14.9637 -21.9695 32.7348 50.742 32.7346 70.6342 GPRESSAVG: 510800 -27.6932 -13.6282 51.175 -12.7613 -21.8305 32.2242 50.5818 33.2512 68.8952 TIMING: 510800 CPU: 1511.43, 0.00295023/step Wall: 1511.43, 0.00295023/step, 3.67893 hours remaining, 205.335938 MB of memory in use. ENERGY: 510800 792.8277 2069.1359 1973.9901 130.2639 -206568.7135 17808.0743 0.0000 0.0000 34168.1841 -149626.2375 298.3992 -183794.4215 -149536.0365 297.3221 -86.2237 -55.9251 556767.2568 6.8298 6.4572 PRESSURE: 511000 193.299 12.3315 -6.94085 12.331 111.194 -43.6856 -6.93994 -43.6852 135.601 GPRESSURE: 511000 269.318 75.4152 3.70081 -1.71095 130.551 -17.1185 0.0198251 -62.673 128.63 PRESSAVG: 511000 32.7845 31.9671 20.6469 31.9671 36.95 -10.2459 20.6469 -10.2458 -62.0413 GPRESSAVG: 511000 32.7448 31.7815 19.6987 30.644 36.5775 -13.0963 19.9362 -9.64053 -61.5083 TIMING: 511000 CPU: 1512.02, 0.00295735/step Wall: 1512.02, 0.00295735/step, 3.68765 hours remaining, 205.335938 MB of memory in use. ENERGY: 511000 740.3796 2096.4157 1938.7882 113.9741 -206957.1590 18077.1523 0.0000 0.0000 34404.1747 -149586.2743 300.4602 -183990.4490 -149490.1320 298.6096 146.6979 176.1664 555802.4171 2.5644 2.6046 PRESSURE: 511200 -219.19 182.245 16.5281 182.246 -283.252 45.7873 16.5286 45.7876 -31.3736 GPRESSURE: 511200 -173.121 131.303 54.4645 171.848 -260.163 65.6456 32.1604 32.0984 3.98049 PRESSAVG: 511200 -23.1073 60.6179 -15.5635 60.6178 93.5521 12.7541 -15.5635 12.7542 -81.314 GPRESSAVG: 511200 -23.9946 57.8789 -13.9184 62.3653 94.719 15.777 -16.1847 10.5303 -81.205 TIMING: 511200 CPU: 1512.62, 0.00299166/step Wall: 1512.62, 0.00299166/step, 3.73027 hours remaining, 205.335938 MB of memory in use. ENERGY: 511200 755.5494 2089.7894 1954.0516 115.4844 -205815.5368 17205.5560 0.0000 0.0000 34094.5161 -149600.5899 297.7559 -183695.1060 -149503.5620 299.1314 -177.9384 -143.1010 554850.1479 -3.6231 -3.4935 PRESSURE: 511400 -134.84 -47.879 26.6214 -47.8781 -338.438 24.8477 26.6214 24.8486 -8.09448 GPRESSURE: 511400 -78.4649 -126.345 61.0693 13.8642 -322.839 59.8632 122.725 -38.512 30.6818 PRESSAVG: 511400 -15.4025 5.30778 37.9945 5.30774 6.43269 9.36457 37.9946 9.36448 11.8738 GPRESSAVG: 511400 -14.6046 9.06087 37.5566 2.75377 5.76097 8.75612 38.9962 10.2886 11.7688 TIMING: 511400 CPU: 1513.21, 0.00296379/step Wall: 1513.21, 0.00296379/step, 3.69535 hours remaining, 205.335938 MB of memory in use. ENERGY: 511400 715.8013 2121.8397 1944.2561 113.5005 -206300.4033 17689.0216 0.0000 0.0000 34093.4753 -149622.5089 297.7468 -183715.9842 -149531.8744 297.9772 -160.4576 -123.5406 557148.3353 0.9680 0.9751 PRESSURE: 511600 -173.603 133.606 39.6095 133.605 79.1359 -15.9545 39.609 -15.9542 42.9284 GPRESSURE: 511600 -125.213 205.441 49.2536 95.436 106.741 -45.9298 33.0289 80.3342 88.0444 PRESSAVG: 511600 -42.7162 -39.9354 36.0611 -39.9354 15.0622 6.58043 36.0612 6.58049 -40.8989 GPRESSAVG: 511600 -41.792 -40.718 36.6568 -38.7565 13.8338 5.96635 33.9933 7.09222 -40.0399 TIMING: 511600 CPU: 1513.8, 0.00296028/step Wall: 1513.8, 0.00296028/step, 3.69081 hours remaining, 205.335938 MB of memory in use. ENERGY: 511600 721.4535 2105.3733 1946.0320 117.1278 -206278.9165 17742.9184 0.0000 0.0000 33995.7896 -149650.2219 296.8937 -183646.0115 -149562.6043 297.7350 -17.1796 23.1907 558349.6532 -22.8510 -22.6660 PRESSURE: 511800 -128.212 20.8415 146.843 20.842 -13.7152 -128.88 146.843 -128.881 -30.5945 GPRESSURE: 511800 -111.514 19.8424 104.693 -14.5191 0.0908999 -144.063 128.614 -175.022 36.839 PRESSAVG: 511800 -53.1972 -15.348 30.823 -15.3479 12.3934 13.1459 30.823 13.1459 46.5392 GPRESSAVG: 511800 -54.7251 -16.1094 29.3226 -14.9744 13.3129 14.1002 31.8627 12.5336 46.8295 TIMING: 511800 CPU: 1514.4, 0.00296397/step Wall: 1514.4, 0.00296397/step, 3.69525 hours remaining, 205.335938 MB of memory in use. ENERGY: 511800 711.8114 2071.1047 1945.6040 121.5633 -206581.0810 17783.5085 0.0000 0.0000 34399.5733 -149547.9159 300.4200 -183947.4892 -149455.5200 297.8389 -57.5071 -24.8612 556525.6609 1.9118 1.8058 PRESSURE: 512000 201.989 61.4833 19.9547 61.4818 90.7868 -148.87 19.9537 -148.867 -244.725 GPRESSURE: 512000 182.605 -39.2626 64.297 115.829 127.05 -175.524 -54.1595 -129.652 -167.822 PRESSAVG: 512000 19.5049 46.9375 -28.0412 46.9375 -16.8991 -24.43 -28.0412 -24.43 -3.76044 GPRESSAVG: 512000 20.2505 46.2469 -25.2648 46.4393 -16.9786 -26.5144 -28.7972 -22.9265 -4.13615 TIMING: 512000 CPU: 1514.99, 0.00294443/step Wall: 1514.99, 0.00294444/step, 3.67073 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: 512000 737.3965 2127.0383 1915.9137 103.0193 -206254.5812 17747.1071 0.0000 0.0000 34059.5671 -149564.5392 297.4507 -183624.1063 -149473.9962 298.3155 16.0170 47.2777 555810.9650 -0.3849 -0.2881 PRESSURE: 512200 -252.925 121.037 40.0854 121.036 -197.211 -81.63 40.0855 -81.6286 -1.99181 GPRESSURE: 512200 -241.21 16.5114 151.831 116.079 -138.721 -89.1873 -0.702244 -69.2251 33.9367 PRESSAVG: 512200 28.8329 -24.6938 2.71178 -24.6938 -70.8513 3.60426 2.7117 3.60424 32.9627 GPRESSAVG: 512200 27.517 -24.6758 1.72908 -24.6274 -70.2625 4.71214 2.69331 3.48733 33.6841 TIMING: 512200 CPU: 1515.58, 0.0029551/step Wall: 1515.58, 0.0029551/step, 3.68387 hours remaining, 205.335938 MB of memory in use. ENERGY: 512200 728.6571 2131.7635 1945.2897 109.8779 -206052.6281 17455.0864 0.0000 0.0000 34044.0747 -149637.8788 297.3154 -183681.9535 -149539.9949 298.4450 -150.7093 -115.3315 556620.5898 -3.0186 -3.0205 LDB: ============= START OF LOAD BALANCING ============== 1519 LDB: ============== END OF LOAD BALANCING =============== 1519 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1519.01 LDB: ============= START OF LOAD BALANCING ============== 1519.3 LDB: Largest compute 4848 load 0.030149 is 25.6% of average load 0.117831 LDB: Average compute 0.001726 is 1.5% of average load 0.117831 LDB: TIME 1519.31 LOAD: AVG 0.117831 MAX 0.194744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.008 MB LDB: TIME 1519.31 LOAD: AVG 0.117831 MAX 0.194744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.254 MB LDB: TIME 1519.31 LOAD: AVG 0.117831 MAX 0.194744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.254 MB LDB: ============== END OF LOAD BALANCING =============== 1519.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 1519.31 PRESSURE: 512400 12.5488 -90.8604 53.4564 -90.8614 -141.96 100.87 53.4557 100.869 337.999 GPRESSURE: 512400 40.8724 -187.678 10.9693 -33.1064 -116.323 113.783 51.1031 67.0304 378.377 PRESSAVG: 512400 -72.5102 0.278972 28.2388 0.279036 -1.44899 9.55949 28.2389 9.5595 60.4238 GPRESSAVG: 512400 -70.3239 0.288836 28.0109 1.53336 -2.64905 10.7119 28.7645 8.07975 58.4897 TIMING: 512400 CPU: 1516.18, 0.00302553/step Wall: 1516.18, 0.00302553/step, 3.7715 hours remaining, 205.007812 MB of memory in use. ENERGY: 512400 736.6625 2092.8317 1961.0739 123.8401 -206496.6368 17921.1684 0.0000 0.0000 34006.4623 -149654.5981 296.9869 -183661.0603 -149562.3090 297.2928 69.5294 100.9755 556892.3644 -4.5118 -4.8278 Info: useSync: 0 useProxySync: 0 PRESSURE: 512600 -39.3639 90.4703 -51.8098 90.47 -134.119 -117.957 -51.8099 -117.96 133.947 GPRESSURE: 512600 12.6477 24.7502 -23.6808 103.531 -76.675 -47.2063 -45.627 -71.4276 123.613 PRESSAVG: 512600 -80.8761 22.4841 17.6447 22.4842 -14.0118 73.5357 17.6447 73.5356 79.5908 GPRESSAVG: 512600 -82.3493 24.4989 17.4575 21.0872 -12.5483 74.4796 19.4344 72.7138 80.1259 TIMING: 512600 CPU: 1516.77, 0.00295499/step Wall: 1516.77, 0.00295499/step, 3.68339 hours remaining, 205.007812 MB of memory in use. ENERGY: 512600 785.3625 2090.9755 1948.6902 111.9014 -206572.0220 17941.3199 0.0000 0.0000 34085.2454 -149608.5271 297.6749 -183693.7725 -149510.8859 298.1283 -13.1787 19.8620 557816.8868 -5.0990 -4.9239 PRESSURE: 512800 1.52977 85.0134 -24.1414 85.0134 119.519 168.995 -24.1415 168.993 323.7 GPRESSURE: 512800 75.1452 24.4824 -55.4133 69.7201 89.1077 193.913 -63.4316 201.334 375.309 PRESSAVG: 512800 -73.8029 92.07 -13.8337 92.07 -22.8443 93.9523 -13.8337 93.9523 112.277 GPRESSAVG: 512800 -72.9568 90.7293 -12.1777 92.7994 -24.2498 92.3731 -17.3487 94.3304 112.461 TIMING: 512800 CPU: 1517.37, 0.00296897/step Wall: 1517.37, 0.00296897/step, 3.70065 hours remaining, 205.058594 MB of memory in use. ENERGY: 512800 736.5610 2099.4546 1961.7946 109.3622 -207037.7276 18224.1182 0.0000 0.0000 34331.6477 -149574.7894 299.8268 -183906.4371 -149484.0213 298.4499 148.2493 179.8539 556426.6161 5.2098 5.0847 PRESSURE: 513000 -370.913 78.075 20.9534 78.0757 -219.239 42.2028 20.9543 42.2041 141.903 GPRESSURE: 513000 -346.158 70.9946 24.1699 84.4937 -121.835 87.4841 7.92342 -35.6629 123.501 PRESSAVG: 513000 -18.2478 20.6392 22.7595 20.6392 -34.0095 37.3668 22.7595 37.3667 59.6516 GPRESSAVG: 513000 -19.1963 20.1104 22.1227 21.3292 -32.9596 36.5899 25.4776 39.9471 59.4377 TIMING: 513000 CPU: 1517.96, 0.00295009/step Wall: 1517.96, 0.00295009/step, 3.67696 hours remaining, 205.058594 MB of memory in use. ENERGY: 513000 756.6212 2111.4854 1956.6832 116.9649 -206267.0922 17764.4349 0.0000 0.0000 33977.7115 -149583.1912 296.7358 -183560.9027 -149485.8483 298.6590 -149.4163 -114.8307 559049.3750 2.4648 2.4273 PRESSURE: 513200 188.051 -21.9053 -67.9532 -21.9057 141.169 51.9271 -67.9538 51.9279 -19.3696 GPRESSURE: 513200 151.436 -40.7481 -110.229 -60.7803 221.733 50.0414 -115.354 3.12019 35.9656 PRESSAVG: 513200 27.2294 20.1044 -26.6929 20.1042 -49.9837 59.8755 -26.693 59.8756 4.94042 GPRESSAVG: 513200 27.1063 20.2683 -27.1542 20.9515 -51.2212 60.2894 -26.0486 56.0765 5.99989 TIMING: 513200 CPU: 1518.54, 0.00292594/step Wall: 1518.54, 0.00292594/step, 3.64669 hours remaining, 205.058594 MB of memory in use. ENERGY: 513200 724.8774 2086.9954 1971.2483 110.2745 -206785.6367 18207.4842 0.0000 0.0000 34179.5347 -149505.2222 298.4984 -183684.7569 -149406.8962 297.6480 103.2834 136.3784 557465.1520 -5.9380 -6.0384 PRESSURE: 513400 68.8142 69.6061 67.4639 69.6058 128.084 14.5412 67.4628 14.5421 37.5666 GPRESSURE: 513400 92.5785 92.2889 101.34 49.346 145.838 20.7925 52.8984 19.209 96.0953 PRESSAVG: 513400 -10.9148 21.9529 12.6873 21.9529 67.4427 42.9437 12.6872 42.9437 -64.525 GPRESSAVG: 513400 -11.2116 21.3719 11.4483 22.5851 67.7754 42.9522 10.7588 43.8623 -64.7688 TIMING: 513400 CPU: 1519.14, 0.00297313/step Wall: 1519.14, 0.00297313/step, 3.70534 hours remaining, 205.058594 MB of memory in use. ENERGY: 513400 739.1498 2059.0241 1986.4538 107.3904 -206116.7200 17830.5088 0.0000 0.0000 33961.8906 -149432.3025 296.5976 -183394.1931 -149331.3905 298.1870 78.1551 111.5039 556903.2464 -2.6657 -2.7350 PRESSURE: 513600 48.797 154.851 9.55242 154.849 46.7308 31.0268 9.55309 31.0265 -364.759 GPRESSURE: 513600 59.7503 146.215 -12.3324 175.645 113.944 22.6921 33.5135 -31.67 -333.131 PRESSAVG: 513600 13.2899 39.0174 40.9839 39.0175 29.9813 4.10045 40.9839 4.10048 -13.1142 GPRESSAVG: 513600 12.156 39.2348 40.7311 37.5475 31.1114 2.69202 40.8467 6.94406 -13.3937 TIMING: 513600 CPU: 1519.73, 0.00296171/step Wall: 1519.73, 0.00296171/step, 3.69095 hours remaining, 205.058594 MB of memory in use. ENERGY: 513600 773.4824 2096.1831 1943.0765 108.3080 -206491.2017 17824.2278 0.0000 0.0000 34403.8314 -149342.0926 300.4572 -183745.9239 -149241.4397 298.4583 -89.7437 -53.1458 557860.2806 10.0523 9.9579 PRESSURE: 513800 43.9774 -204.552 164.672 -204.552 -184.253 115.532 164.673 115.532 14.6181 GPRESSURE: 513800 74.2876 -233.698 179.217 -247.629 -151.132 155.111 201.965 103.103 48.5857 PRESSAVG: 513800 -17.2874 -43.8186 37.185 -43.8186 24.616 -34.2943 37.185 -34.2942 -36.475 GPRESSAVG: 513800 -15.6077 -42.5969 39.1894 -42.5738 23.8242 -33.7281 37.407 -35.6213 -37.5793 TIMING: 513800 CPU: 1520.32, 0.00295746/step Wall: 1520.32, 0.00295746/step, 3.68549 hours remaining, 205.058594 MB of memory in use. ENERGY: 513800 767.7758 2012.6267 1973.0895 124.9962 -206369.4306 17793.8957 0.0000 0.0000 34392.0007 -149305.0460 300.3539 -183697.0468 -149203.9894 298.4207 -41.8860 -9.4195 556804.5585 -9.7154 -9.7876 PRESSURE: 514000 130.878 -22.0441 -179.835 -22.0439 0.236235 -193.127 -179.834 -193.128 7.88816 GPRESSURE: 514000 147.31 12.3093 -195.486 45.5993 7.58835 -179.617 -222.323 -140.566 85.0043 PRESSAVG: 514000 89.7609 -41.0469 -6.05787 -41.0468 -50.1227 -24.275 -6.05783 -24.2749 -13.1483 GPRESSAVG: 514000 89.7953 -41.9126 -7.63772 -40.836 -50.9724 -26.4982 -6.24552 -23.4169 -12.6592 TIMING: 514000 CPU: 1520.91, 0.00295522/step Wall: 1520.91, 0.00295522/step, 3.68253 hours remaining, 205.058594 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: 514000 741.2247 2077.0331 1983.4895 114.0754 -206296.1973 17831.1802 0.0000 0.0000 34297.8442 -149251.3501 299.5316 -183549.1943 -149163.6514 298.6112 46.3340 79.9676 556680.3427 8.8299 8.7212 PRESSURE: 514200 46.7575 -65.9773 -18.7073 -65.9777 -3.73034 -39.2367 -18.7073 -39.237 -7.947 GPRESSURE: 514200 102.551 -90.8271 -83.7463 -67.0156 18.236 -12.293 -21.9106 23.2737 19.8283 PRESSAVG: 514200 22.1463 -6.4077 -72.4523 -6.40769 -54.3387 -9.44948 -72.4523 -9.44946 29.5278 GPRESSAVG: 514200 21.1238 -5.33088 -71.4824 -8.7524 -52.8936 -5.02495 -70.496 -12.1015 28.5489 TIMING: 514200 CPU: 1521.51, 0.00297762/step Wall: 1521.51, 0.00297762/step, 3.71028 hours remaining, 205.058594 MB of memory in use. ENERGY: 514200 791.7709 2079.4414 1965.0018 113.3633 -206183.1980 17827.0301 0.0000 0.0000 34252.5745 -149154.0160 299.1363 -183406.5905 -149065.7606 299.0081 11.6934 46.8718 558398.7126 -0.8882 -1.0736 PRESSURE: 514400 -2.82908 22.0946 -16.5483 22.0949 -254.338 -31.6346 -16.5481 -31.6342 -178.678 GPRESSURE: 514400 -2.24438 -67.9195 -28.4014 13.4513 -224.943 -148.719 104.965 -12.688 -115.388 PRESSAVG: 514400 24.5267 1.75576 -43.0658 1.75581 14.5152 -14.7814 -43.0658 -14.7814 -41.4088 GPRESSAVG: 514400 25.64 0.725591 -42.365 0.689198 13.7338 -16.2155 -44.4851 -11.9329 -41.2417 TIMING: 514400 CPU: 1522.1, 0.00296217/step Wall: 1522.1, 0.00296217/step, 3.69087 hours remaining, 205.058594 MB of memory in use. ENERGY: 514400 752.4577 2111.8193 1959.3375 108.4067 -205698.2622 17521.4608 0.0000 0.0000 34143.3122 -149101.4681 298.1820 -183244.7803 -149005.5798 299.2377 -145.2818 -114.1920 559227.3195 -0.7889 -0.6226 PRESSURE: 514600 -237.44 -97.9417 -41.7444 -97.9425 -185.468 -24.6168 -41.7444 -24.6161 -155.229 GPRESSURE: 514600 -251.559 -152.93 -66.8424 -56.6182 -131.034 -4.47461 31.3661 -69.5959 -99.2859 PRESSAVG: 514600 -37.7435 -55.9727 -9.18059 -55.9727 1.04235 -25.3937 -9.18067 -25.3937 42.4487 GPRESSAVG: 514600 -39.4554 -54.882 -8.18868 -55.5958 0.54072 -26.5405 -9.64621 -26.8937 44.3902 TIMING: 514600 CPU: 1522.69, 0.00296626/step Wall: 1522.69, 0.00296626/step, 3.6958 hours remaining, 205.058594 MB of memory in use. ENERGY: 514600 730.0076 2166.4836 1964.9286 126.3506 -206037.1547 17582.0316 0.0000 0.0000 34287.0712 -149180.2816 299.4375 -183467.3527 -149083.0972 299.5039 -192.7123 -160.6263 558761.5592 1.9158 1.8252 PRESSURE: 514800 -54.8999 -15.5997 -173.633 -15.5978 66.8933 -101.182 -173.635 -101.183 163.027 GPRESSURE: 514800 1.85043 -58.6385 -106.907 -59.3182 96.3665 -138.396 -250.532 -57.8609 179.539 PRESSAVG: 514800 29.1144 35.3673 -22.2885 35.3673 -49.9262 7.25274 -22.2884 7.25282 32.0105 GPRESSAVG: 514800 30.5211 34.4323 -22.1878 36.6824 -50.5294 7.61615 -22.3444 8.42276 30.7017 TIMING: 514800 CPU: 1523.29, 0.0029719/step Wall: 1523.29, 0.0029719/step, 3.70266 hours remaining, 205.058594 MB of memory in use. ENERGY: 514800 713.7084 2123.0968 1946.3673 116.8585 -205978.3117 17774.5161 0.0000 0.0000 34224.7177 -149079.0469 298.8930 -183303.7646 -148989.2094 298.7603 58.3402 92.5854 559514.1920 3.7329 3.5645 PRESSURE: 515000 86.3878 1.4417 -54.2272 1.44158 12.6325 76.7096 -54.227 76.7088 5.55061 GPRESSURE: 515000 116.869 24.3816 -50.0542 -75.7263 60.2414 94.1354 -39.4756 122.449 19.9331 PRESSAVG: 515000 -15.3578 1.20131 -0.49373 1.20138 -14.1979 -6.94292 -0.493725 -6.94291 29.2406 GPRESSAVG: 515000 -15.2928 1.01409 -0.655463 -0.440212 -14.1483 -6.62826 -0.657374 -6.84536 28.3005 TIMING: 515000 CPU: 1523.88, 0.00297853/step Wall: 1523.88, 0.00297853/step, 3.71076 hours remaining, 205.058594 MB of memory in use. ENERGY: 515000 772.8474 2106.1572 1954.3614 123.3634 -206082.6239 17856.4939 0.0000 0.0000 34173.7100 -149095.6907 298.4475 -183269.4007 -149005.9715 298.7841 34.8569 65.6810 559036.1148 -0.1050 -0.3802 PRESSURE: 515200 -174 12.1476 99.7775 12.1485 188.947 36.6146 99.7774 36.616 166.444 GPRESSURE: 515200 -127.571 2.75724 160.092 46.1368 208.827 36.576 120.267 47.6718 197.077 PRESSAVG: 515200 -37.4194 -30.0815 40.0181 -30.0816 -31.3946 34.3091 40.0182 34.309 12.6151 GPRESSAVG: 515200 -37.3646 -29.4826 38.6793 -28.6197 -31.5912 34.7512 39.7331 36.3464 12.575 TIMING: 515200 CPU: 1524.48, 0.00296863/step Wall: 1524.48, 0.00296863/step, 3.69825 hours remaining, 205.195312 MB of memory in use. ENERGY: 515200 717.1817 2057.7577 1971.9152 114.6131 -206154.2449 17828.8020 0.0000 0.0000 34425.9599 -149038.0152 300.6505 -183463.9751 -148936.0642 298.5509 60.4635 92.7779 556841.9207 -18.7330 -18.7936 PRESSURE: 515400 -44.5264 104.943 27.3092 104.943 46.1887 -52.6434 27.3101 -52.6432 -145.38 GPRESSURE: 515400 -10.807 112.039 23.4384 38.6293 51.3841 -125.645 18.1225 57.843 -82.8201 PRESSAVG: 515400 -20.4012 -21.1576 6.64965 -21.1576 76.0768 14.335 6.64969 14.335 -31.5653 GPRESSAVG: 515400 -20.1384 -19.4368 5.25437 -22.6459 75.4521 12.3625 7.69018 12.2685 -30.419 TIMING: 515400 CPU: 1525.07, 0.00296773/step Wall: 1525.07, 0.00296773/step, 3.69697 hours remaining, 205.195312 MB of memory in use. ENERGY: 515400 734.6119 2080.8143 1953.9374 112.2596 -205977.4098 17792.9697 0.0000 0.0000 34407.1174 -148895.6994 300.4859 -183302.8168 -148796.5532 299.4107 -47.9060 -14.0810 558005.8179 8.0368 8.2982 PRESSURE: 515600 271.373 115.912 -140.118 115.912 -30.8388 -115.417 -140.119 -115.417 -101.362 GPRESSURE: 515600 244.719 153.179 -70.8578 103.488 -7.48816 -183.7 -174.06 -50.7838 -8.18487 PRESSAVG: 515600 -38.7694 37.1009 13.7486 37.1009 66.4359 11.015 13.7485 11.0151 11.7914 GPRESSAVG: 515600 -40.2361 35.5656 15.1555 38.9161 68.3555 12.7721 14.4073 10.4489 11.295 TIMING: 515600 CPU: 1525.66, 0.00293241/step Wall: 1525.66, 0.00293241/step, 3.65281 hours remaining, 205.195312 MB of memory in use. ENERGY: 515600 719.5556 2124.6827 1931.0575 108.4336 -206382.5383 18093.8652 0.0000 0.0000 34315.6902 -149089.2536 299.6875 -183404.9438 -148995.7309 300.1001 46.3906 76.3488 558371.7919 13.1526 13.1381 PRESSURE: 515800 188.245 -120.783 -52.605 -120.784 31.2257 -51.5422 -52.6051 -51.5422 -184.155 GPRESSURE: 515800 207.018 -23.7241 -123.115 -173.258 37.41 -51.6948 -68.9883 -47.283 -119.479 PRESSAVG: 515800 -9.41357 -48.7659 -4.01479 -48.7658 35.4477 37.0814 -4.01481 37.0814 -17.7969 GPRESSAVG: 515800 -8.3464 -48.9945 -4.23401 -48.1416 33.7402 37.4986 -5.23649 36.8379 -18.0132 TIMING: 515800 CPU: 1526.25, 0.00294355/step Wall: 1526.25, 0.00294355/step, 3.66651 hours remaining, 205.195312 MB of memory in use. ENERGY: 515800 776.1374 2157.1035 1943.0311 113.2195 -206187.1328 17927.1076 0.0000 0.0000 34170.4312 -149100.1027 298.4189 -183270.5338 -149009.3180 299.4246 11.7718 41.6498 558277.7488 2.7458 2.4602 PRESSURE: 516000 -39.8267 -182.828 126.717 -182.828 -457.696 -38.376 126.717 -38.3753 37.7001 GPRESSURE: 516000 17.9685 -199.741 174.178 -157.272 -426.829 -61.0308 31.9673 -17.5783 53.9035 PRESSAVG: 516000 86.5541 6.38763 8.50426 6.38766 -15.8108 5.91898 8.50427 5.91908 -99.2319 GPRESSAVG: 516000 86.0526 5.5919 8.55661 5.85253 -15.8618 4.02701 8.42787 6.55471 -99.1821 TIMING: 516000 CPU: 1526.83, 0.00293971/step Wall: 1526.83, 0.00293971/step, 3.66157 hours remaining, 205.195312 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: 516000 754.9053 2064.0276 1913.7852 114.0685 -205979.3225 17665.8208 0.0000 0.0000 34298.2829 -149168.4324 299.5354 -183466.7153 -149073.7421 299.4354 -153.2743 -118.3190 556713.1485 -9.4962 -9.6638 PRESSURE: 516200 268.058 10.6104 44.5094 10.6105 -105.157 68.0603 44.5089 68.0597 46.1754 GPRESSURE: 516200 307.946 -28.7057 17.2289 -5.06558 -115.387 188.383 87.0921 41.196 112.912 PRESSAVG: 516200 48.5602 -54.9706 68.6444 -54.9706 -104.589 3.67808 68.6444 3.67805 80.6465 GPRESSAVG: 516200 48.7546 -54.0691 67.8784 -54.9596 -104.9 5.36133 70.7098 2.61976 80.4474 TIMING: 516200 CPU: 1527.42, 0.00294769/step Wall: 1527.42, 0.00294769/step, 3.67135 hours remaining, 205.195312 MB of memory in use. ENERGY: 516200 746.7041 2117.8402 1933.3592 103.4620 -206224.8288 17833.7928 0.0000 0.0000 34163.4099 -149326.2606 298.3576 -183489.6705 -149233.5153 298.3205 69.6924 101.8237 557364.2801 8.2060 8.1006 LDB: ============= START OF LOAD BALANCING ============== 1530.85 LDB: ============== END OF LOAD BALANCING =============== 1530.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1530.85 LDB: ============= START OF LOAD BALANCING ============== 1531.15 LDB: Largest compute 4820 load 0.029306 is 24.9% of average load 0.117804 LDB: Average compute 0.001726 is 1.5% of average load 0.117804 LDB: TIME 1531.15 LOAD: AVG 0.117804 MAX 0.197225 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.328 MB LDB: TIME 1531.15 LOAD: AVG 0.117804 MAX 0.197225 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.328 MB LDB: TIME 1531.15 LOAD: AVG 0.117804 MAX 0.197225 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.328 MB LDB: ============== END OF LOAD BALANCING =============== 1531.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1531.15 PRESSURE: 516400 56.8338 45.9455 29.6486 45.9456 -18.3745 -29.1684 29.6492 -29.17 -137.884 GPRESSURE: 516400 95.0605 32.1371 23.3205 -17.2213 14.6466 -104.908 9.85572 -17.439 -115.571 PRESSAVG: 516400 18.788 3.74753 38.5678 3.74756 -36.3987 6.75107 38.5678 6.75107 -11.6248 GPRESSAVG: 516400 18.128 4.35013 39.1292 3.04717 -34.5074 4.85776 36.6551 7.25021 -12.7084 TIMING: 516400 CPU: 1528.02, 0.00300573/step Wall: 1528.02, 0.00300573/step, 3.74347 hours remaining, 204.042969 MB of memory in use. ENERGY: 516400 750.8555 2080.9002 1957.9524 103.1786 -206123.2933 17784.1671 0.0000 0.0000 34195.0604 -149251.1792 298.6340 -183446.2395 -149151.1147 298.6505 -33.1416 -1.9547 557710.6282 -9.7452 -9.6959 PRESSURE: 516600 251.425 19.8419 -89.054 19.8406 108.5 -205.304 -89.0538 -205.303 100.198 GPRESSURE: 516600 240.114 15.0447 -81.5439 -33.352 118.01 -273.147 -59.8738 -67.2582 194.368 PRESSAVG: 516600 60.2684 -54.2792 -34.2595 -54.2792 -27.7172 -30.4888 -34.2595 -30.4888 12.6553 GPRESSAVG: 516600 61.0922 -54.4618 -32.7509 -54.2096 -29.292 -27.7542 -32.9808 -31.5289 13.7337 TIMING: 516600 CPU: 1528.61, 0.00294632/step Wall: 1528.61, 0.00294632/step, 3.66931 hours remaining, 204.042969 MB of memory in use. ENERGY: 516600 704.0451 2131.9187 1960.1721 110.0165 -206289.8252 17867.4318 0.0000 0.0000 34342.9594 -149173.2814 299.9256 -183516.2409 -149080.2175 299.2316 153.3740 184.1640 555278.7915 15.0688 15.1780 PRESSURE: 516800 62.3166 -106.511 62.2683 -106.512 -99.4533 41.4382 62.268 41.438 121.322 GPRESSURE: 516800 80.3852 -52.1683 -15.0957 -110.77 -58.4604 100.216 39.4976 -34.3691 167.395 PRESSAVG: 516800 55.0176 -15.7417 108.308 -15.7418 -24.4659 37.2717 108.308 37.2718 -6.34739 GPRESSAVG: 516800 55.0199 -13.5798 107.005 -15.4998 -25.1388 36.4931 109.426 35.9487 -6.15492 TIMING: 516800 CPU: 1529.21, 0.00296893/step Wall: 1529.21, 0.00296893/step, 3.69731 hours remaining, 204.042969 MB of memory in use. ENERGY: 516800 765.2169 2101.1942 1942.5618 125.3892 -206052.1033 17722.0748 0.0000 0.0000 34297.9292 -149097.7372 299.5323 -183395.6664 -149007.0964 299.1570 28.0616 63.1066 557983.3379 8.0681 7.9087 PRESSURE: 517000 114.398 87.412 -167.782 87.4115 -16.0017 -115.204 -167.783 -115.205 314.155 GPRESSURE: 517000 191.552 61.4388 -118.737 168.907 -22.73 -151.672 -230.432 -167.773 336.693 PRESSAVG: 517000 28.983 23.9489 6.8551 23.9489 -13.6822 -29.7279 6.85511 -29.7279 -52.2632 GPRESSAVG: 517000 28.9334 21.9163 7.38901 22.7358 -13.133 -29.933 5.10799 -28.4749 -52.6144 TIMING: 517000 CPU: 1529.8, 0.00295214/step Wall: 1529.8, 0.00295214/step, 3.67624 hours remaining, 204.042969 MB of memory in use. ENERGY: 517000 738.1327 2110.2791 1931.1913 122.7482 -206367.3438 18031.9879 0.0000 0.0000 34421.4386 -149011.5659 300.6110 -183433.0045 -148911.9626 299.9695 137.5171 168.5052 557463.4130 -12.3208 -12.2713 PRESSURE: 517200 -176.17 -151.225 81.7522 -151.225 -135.026 -111.204 81.7526 -111.203 5.99301 GPRESSURE: 517200 -145.102 -155.296 -17.6267 -121.598 -101.348 -100.009 159.139 -100.999 37.3842 PRESSAVG: 517200 9.97008 -34.2889 25.7176 -34.289 -35.0995 -15.4519 25.7176 -15.4518 53.0836 GPRESSAVG: 517200 8.76193 -32.6082 25.8135 -33.6266 -34.1566 -15.6349 26.7772 -15.2784 54.0194 TIMING: 517200 CPU: 1530.38, 0.00293539/step Wall: 1530.38, 0.00293539/step, 3.65522 hours remaining, 204.042969 MB of memory in use. ENERGY: 517200 756.7683 2116.8959 1953.1118 101.9194 -206097.6333 17749.3451 0.0000 0.0000 34448.4037 -148971.1891 300.8465 -183419.5929 -148873.1582 300.1992 -101.7343 -69.6889 558830.6310 9.3181 9.5416 PRESSURE: 517400 261.717 116.471 -43.4334 116.47 73.7874 -90.1092 -43.4329 -90.1079 27.8525 GPRESSURE: 517400 320.883 118.685 -44.98 121.046 90.9717 -93.7442 -31.0745 -39.8211 40.8984 PRESSAVG: 517400 32.8646 -12.6993 14.1535 -12.6992 44.1296 -19.058 14.1535 -19.058 -56.6825 GPRESSAVG: 517400 33.7814 -16.0602 12.8421 -12.7592 43.7264 -20.0211 14.3752 -17.2604 -56.7502 TIMING: 517400 CPU: 1530.98, 0.00297444/step Wall: 1530.98, 0.00297444/step, 3.70368 hours remaining, 204.042969 MB of memory in use. ENERGY: 517400 723.5452 2098.4431 1950.8830 116.6965 -206217.1999 17909.5862 0.0000 0.0000 34325.4665 -149092.5793 299.7728 -183418.0458 -149000.7744 299.9143 121.1191 150.9175 557712.0729 6.7706 6.9192 PRESSURE: 517600 25.8667 -68.1138 22.2631 -68.1143 -2.9501 58.2875 22.263 58.287 95.6061 GPRESSURE: 517600 12.2973 -4.90423 58.0775 -117.431 113.147 -13.6718 -89.0956 127.485 101.197 PRESSAVG: 517600 21.8005 -13.6515 -27.7622 -13.6516 38.6256 4.45473 -27.7623 4.45476 -74.5564 GPRESSAVG: 517600 21.9243 -12.3161 -25.7636 -13.7504 38.7043 3.7499 -29.2908 4.28059 -74.7194 TIMING: 517600 CPU: 1531.57, 0.00297092/step Wall: 1531.57, 0.00297092/step, 3.69913 hours remaining, 204.042969 MB of memory in use. ENERGY: 517600 757.6905 2083.1289 1952.6712 127.2507 -206439.3782 18059.1758 0.0000 0.0000 34153.8645 -149305.5964 298.2742 -183459.4610 -149208.1780 299.4248 39.5076 75.5472 559600.4963 -4.7101 -4.6970 PRESSURE: 517800 380.381 35.2998 142.781 35.2993 75.8414 -19.3127 142.782 -19.3129 59.2147 GPRESSURE: 517800 415.659 46.092 128.603 -27.5448 120.908 -39.0749 165.784 -28.1637 68.7625 PRESSAVG: 517800 -65.1061 -29.005 61.1465 -29.005 36.2767 -39.4748 61.1465 -39.4749 28.1926 GPRESSAVG: 517800 -65.393 -28.9252 60.343 -28.776 37.2192 -37.7537 60.8005 -41.4737 27.603 TIMING: 517800 CPU: 1532.17, 0.002996/step Wall: 1532.17, 0.002996/step, 3.73019 hours remaining, 204.042969 MB of memory in use. ENERGY: 517800 752.4605 2052.8886 1929.5878 121.9431 -206482.7972 18130.1532 0.0000 0.0000 34206.7594 -149289.0046 298.7361 -183495.7640 -149194.9550 297.9643 171.8124 201.7765 557812.2420 -0.2123 -0.1903 PRESSURE: 518000 -197.567 -68.6631 83.5436 -68.6622 46.8346 13.5303 83.5443 13.5306 99.8649 GPRESSURE: 518000 -138.831 -29.5636 86.7606 -117.25 82.9444 102.596 82.7213 -45.6649 102.77 PRESSAVG: 518000 2.21418 -17.6528 -28.377 -17.6528 -20.8253 -45.6537 -28.377 -45.6536 4.37557 GPRESSAVG: 518000 3.14644 -16.5258 -29.2004 -17.5585 -21.5232 -47.1079 -25.9822 -44.5215 4.49725 TIMING: 518000 CPU: 1532.77, 0.00296574/step Wall: 1532.77, 0.00296574/step, 3.69235 hours remaining, 204.042969 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: 518000 761.0662 2079.2168 1938.4065 107.3726 -206259.0117 17729.0646 0.0000 0.0000 34301.7293 -149342.1559 299.5655 -183643.8852 -149245.6704 297.9398 -16.9557 15.6278 558771.4638 -4.7452 -4.6265 PRESSURE: 518200 91.4709 189.178 -90.8445 189.178 71.696 75.5354 -90.845 75.535 27.6215 GPRESSURE: 518200 107.445 168.556 -150.041 178.923 76.9352 51.8877 -33.1349 63.0696 94.1121 PRESSAVG: 518200 -16.8523 -13.3054 25.968 -13.3054 -10.8618 20.5792 25.968 20.5791 27.6929 GPRESSAVG: 518200 -16.4155 -13.8326 27.6687 -11.6513 -12.013 23.0989 24.2199 20.3638 27.8764 TIMING: 518200 CPU: 1533.36, 0.00296827/step Wall: 1533.36, 0.00296827/step, 3.69534 hours remaining, 204.042969 MB of memory in use. ENERGY: 518200 724.0257 2050.1587 1940.4657 108.5115 -206325.6607 17948.1156 0.0000 0.0000 34287.4459 -149266.9377 299.4408 -183554.3836 -149174.1433 298.4178 63.5961 92.8307 558037.7385 -0.0071 -0.1840 PRESSURE: 518400 -140.603 -52.8869 -83.9822 -52.8871 123.669 -47.3247 -83.9826 -47.3241 -156.542 GPRESSURE: 518400 -83.2419 -18.8705 -139.642 -108.081 180.309 -37.0183 -32.7715 -43.9115 -167.726 PRESSAVG: 518400 -0.306392 -2.3252 3.07139 -2.32516 13.3799 -17.8592 3.07143 -17.8592 28.4338 GPRESSAVG: 518400 -0.997858 -3.01006 1.45419 -1.65351 14.3266 -16.5531 2.41263 -17.3811 28.7595 TIMING: 518400 CPU: 1533.95, 0.00296351/step Wall: 1533.95, 0.00296351/step, 3.68924 hours remaining, 204.042969 MB of memory in use. ENERGY: 518400 729.2544 2081.8673 1958.7118 107.8540 -206261.4780 17768.1201 0.0000 0.0000 34202.1744 -149413.4960 298.6961 -183615.6704 -149311.3929 298.5505 -57.8251 -23.5531 558059.2685 13.8358 14.0294 PRESSURE: 518600 -65.7107 -89.2557 -354.666 -89.2565 -167.534 52.1501 -354.667 52.1494 -324.749 GPRESSURE: 518600 -24.0791 -75.0223 -376.488 -104.026 -146.813 194.625 -352.151 -27.2422 -290.301 PRESSAVG: 518600 -31.117 24.5243 -66.2619 24.5242 66.5951 21.8184 -66.262 21.8184 23.6054 GPRESSAVG: 518600 -30.8448 24.8087 -67.0233 23.1782 67.2361 20.0962 -64.0467 20.324 22.8115 TIMING: 518600 CPU: 1534.54, 0.00294339/step Wall: 1534.54, 0.00294339/step, 3.66403 hours remaining, 204.042969 MB of memory in use. ENERGY: 518600 757.5257 2082.9819 1951.5314 113.0563 -206017.4746 17518.5620 0.0000 0.0000 34268.2462 -149325.5711 299.2731 -183593.8173 -149226.2582 298.2692 -185.9981 -153.7311 560163.9985 19.6945 19.7343 PRESSURE: 518800 1.97688 24.0376 -191.74 24.0373 -66.4121 -6.63518 -191.741 -6.63639 61.0642 GPRESSURE: 518800 89.844 47.1954 -100.897 53.1909 -44.6039 -58.3544 -186.565 59.4773 54.7433 PRESSAVG: 518800 10.935 -22.4807 -63.6392 -22.4807 17.6769 29.9878 -63.6392 29.9876 -60.0724 GPRESSAVG: 518800 11.8205 -22.2332 -61.5159 -21.8239 15.7069 28.8574 -65.0035 31.8507 -58.5177 TIMING: 518800 CPU: 1535.13, 0.00293621/step Wall: 1535.13, 0.00293621/step, 3.65493 hours remaining, 204.042969 MB of memory in use. ENERGY: 518800 752.6039 2096.8441 1971.7492 104.4549 -206376.5781 17931.2920 0.0000 0.0000 34170.1260 -149349.5080 298.4162 -183519.6340 -149251.7834 298.5862 -1.1237 33.3278 557936.0488 -10.4868 -10.3301 PRESSURE: 519000 92.874 30.7114 -19.0902 30.7111 -73.5786 -21.1534 -19.0894 -21.1545 -41.0053 GPRESSURE: 519000 103.806 20.9909 -71.4055 67.3768 -5.94678 -60.9307 -60.7174 -25.0857 -19.09 PRESSAVG: 519000 45.6546 -3.30556 -26.1295 -3.30564 -15.4582 30.3616 -26.1295 30.3616 -41.8404 GPRESSAVG: 519000 45.439 -2.99453 -27.836 -3.59578 -13.7427 29.562 -25.7713 31.313 -42.9119 TIMING: 519000 CPU: 1535.72, 0.00294757/step Wall: 1535.72, 0.00294757/step, 3.66891 hours remaining, 204.042969 MB of memory in use. ENERGY: 519000 739.3514 2097.3619 1916.3963 119.0091 -206490.4095 17905.3282 0.0000 0.0000 34370.4180 -149342.5446 300.1654 -183712.9626 -149251.3596 298.1904 -7.2366 26.2563 558151.2538 -3.8813 -3.7385 PRESSURE: 519200 91.1427 -9.99772 -46.2352 -9.99889 -27.2523 -178.141 -46.2353 -178.141 -420.183 GPRESSURE: 519200 108.766 79.3905 -45.6119 -74.2861 -42.4597 -252.379 -57.5829 -81.2532 -323.299 PRESSAVG: 519200 26.5448 13.8001 -3.73241 13.8001 10.6191 -0.444445 -3.73236 -0.444389 -34.3762 GPRESSAVG: 519200 25.9908 12.519 -1.73808 15.3472 10.8209 0.741913 -4.84369 -1.6878 -33.4274 TIMING: 519200 CPU: 1536.31, 0.0029609/step Wall: 1536.31, 0.0029609/step, 3.68533 hours remaining, 204.042969 MB of memory in use. ENERGY: 519200 711.1154 2108.3103 1930.6709 102.0491 -205781.7170 17532.9539 0.0000 0.0000 34201.6534 -149194.9639 298.6915 -183396.6173 -149101.4700 299.2473 -118.7642 -85.6643 558004.4644 0.9292 1.1281 PRESSURE: 519400 -84.4771 -58.2623 147.331 -58.2635 -177.74 191.487 147.329 191.488 78.388 GPRESSURE: 519400 -54.6364 -84.2909 107.146 9.85613 -134.807 224.621 187.599 153.757 106.449 PRESSAVG: 519400 -67.7567 -1.8982 12.5997 -1.89819 110.046 40.5845 12.5997 40.5845 -30.3981 GPRESSAVG: 519400 -67.8506 -2.41097 9.69417 -3.47535 109.708 39.4066 14.175 40.6587 -30.1348 TIMING: 519400 CPU: 1536.91, 0.00300225/step Wall: 1536.91, 0.00300225/step, 3.73663 hours remaining, 204.042969 MB of memory in use. ENERGY: 519400 723.3341 2025.6457 1950.0763 119.9021 -205817.3009 17519.9765 0.0000 0.0000 34121.9192 -149356.4470 297.9952 -183478.3662 -149255.5262 299.2993 -61.2764 -27.6647 556895.9087 3.9639 3.9075 PRESSURE: 519600 161.193 131.281 -36.9782 131.28 58.4053 175.855 -36.9793 175.856 3.86646 GPRESSURE: 519600 160.839 198.637 52.0311 99.9642 89.6227 175.381 -58.6686 162.646 81.1859 PRESSAVG: 519600 -9.94422 77.1986 15.2114 77.1986 -0.298287 1.46364 15.2114 1.46364 -2.39607 GPRESSAVG: 519600 -9.83275 78.9002 16.2884 77.0889 0.0222857 2.115 16.9579 1.64996 -2.66615 TIMING: 519600 CPU: 1537.5, 0.00296627/step Wall: 1537.5, 0.00296627/step, 3.69168 hours remaining, 204.042969 MB of memory in use. ENERGY: 519600 757.3896 2113.1102 1939.2188 103.8992 -206696.0319 18189.5927 0.0000 0.0000 34221.8360 -149370.9855 298.8678 -183592.8215 -149276.1463 299.0192 74.4883 110.5491 558611.4520 -4.2129 -4.1589 PRESSURE: 519800 -189.274 26.9141 93.4661 26.9143 -370.599 -94.6516 93.4659 -94.6506 75.7463 GPRESSURE: 519800 -134.277 -42.4489 -5.94972 -9.64352 -324.771 -85.0915 56.8292 -27.7493 68.6091 PRESSAVG: 519800 52.7424 20.7193 13.4875 20.7193 34.6911 60.3976 13.4874 60.3975 -43.6448 GPRESSAVG: 519800 53.6601 19.2487 13.0797 21.148 33.5559 61.1274 10.9575 61.0904 -43.0101 TIMING: 519800 CPU: 1538.09, 0.00294217/step Wall: 1538.09, 0.00294217/step, 3.66152 hours remaining, 204.042969 MB of memory in use. ENERGY: 519800 711.8526 2103.4350 1936.0655 119.5474 -206065.1450 17527.5526 0.0000 0.0000 34404.8723 -149261.8195 300.4663 -183666.6919 -149169.7684 299.0386 -161.3756 -130.1464 559485.8500 14.5962 14.7353 PRESSURE: 520000 -89.0944 -189.842 -27.1098 -189.842 134.491 70.8652 -27.1119 70.8639 25.176 GPRESSURE: 520000 -7.85073 -198.809 -10.5718 -88.0169 124.605 159.442 -22.0318 32.8253 50.8143 PRESSAVG: 520000 -54.1243 -1.6883 -21.872 -1.68828 33.6349 25.6812 -21.872 25.6812 43.1082 GPRESSAVG: 520000 -55.772 -2.90284 -21.3708 0.764743 35.1138 24.5319 -22.4947 24.4978 42.9934 TIMING: 520000 CPU: 1538.68, 0.00294095/step Wall: 1538.68, 0.00294095/step, 3.65985 hours remaining, 204.042969 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: 520000 728.0833 2167.7588 1956.0441 97.4702 -206329.0086 18049.7375 0.0000 0.0000 34161.5934 -149168.3214 298.3417 -183329.9148 -149072.6361 299.3072 23.5242 55.8562 559914.3590 7.5396 7.4450 PRESSURE: 520200 -262.331 -20.2075 -73.4633 -20.2071 -203.467 105.989 -73.4634 105.989 48.9986 GPRESSURE: 520200 -245.237 14.2116 -27.3313 -90.7828 -188.987 103.582 -24.0072 108.585 120.133 PRESSAVG: 520200 -47.0647 -41.2727 -11.946 -41.2727 2.50147 57.0367 -11.946 57.0368 -8.72666 GPRESSAVG: 520200 -45.8326 -41.1716 -12.8709 -43.7699 0.653646 56.957 -12.3135 59.0528 -8.57911 TIMING: 520200 CPU: 1539.27, 0.00294141/step Wall: 1539.27, 0.00294141/step, 3.66026 hours remaining, 204.042969 MB of memory in use. ENERGY: 520200 752.0852 2127.0777 1954.0603 96.7260 -206190.2644 17696.0576 0.0000 0.0000 34281.3964 -149282.8613 299.3880 -183564.2576 -149191.6034 298.6406 -138.9333 -104.6970 559445.0822 -17.7633 -17.9194 LDB: ============= START OF LOAD BALANCING ============== 1542.69 LDB: ============== END OF LOAD BALANCING =============== 1542.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1542.7 LDB: ============= START OF LOAD BALANCING ============== 1542.99 LDB: Largest compute 4820 load 0.029987 is 25.5% of average load 0.117758 LDB: Average compute 0.001725 is 1.5% of average load 0.117758 LDB: TIME 1542.99 LOAD: AVG 0.117758 MAX 0.196196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.355 MB LDB: TIME 1542.99 LOAD: AVG 0.117758 MAX 0.196196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.426 MB LDB: TIME 1542.99 LOAD: AVG 0.117758 MAX 0.196196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.426 MB LDB: ============== END OF LOAD BALANCING =============== 1543 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1543 PRESSURE: 520400 -99.687 -11.006 -0.43373 -11.005 61.1749 -32.8526 -0.433971 -32.8518 184.403 GPRESSURE: 520400 -42.2679 60.1718 -26.8281 -10.6394 75.4994 -68.4731 -0.949886 38.6202 215.953 PRESSAVG: 520400 -18.7119 -6.91893 -36.2136 -6.91895 15.9516 68.4902 -36.2137 68.4902 9.94114 GPRESSAVG: 520400 -18.5213 -5.59148 -36.6076 -5.86732 16.6824 67.4623 -33.7351 68.031 8.97316 TIMING: 520400 CPU: 1539.87, 0.00301264/step Wall: 1539.87, 0.00301264/step, 3.74872 hours remaining, 204.808594 MB of memory in use. ENERGY: 520400 684.2374 2171.3182 1927.8484 106.6352 -206424.1765 17931.0583 0.0000 0.0000 34429.9326 -149173.1464 300.6852 -183603.0790 -149078.2518 299.4604 48.6303 83.0614 558751.6575 2.3936 2.3781 PRESSURE: 520600 -40.0473 -1.53836 124.355 -1.53737 139.529 45.9987 124.355 45.9988 376.265 GPRESSURE: 520600 17.386 -62.3128 110.926 -36.4456 166.34 -50.2595 146.514 56.5361 375.249 PRESSAVG: 520600 6.12694 -33.1369 22.4074 -33.1369 -52.0553 -25.9281 22.4074 -25.928 77.1107 GPRESSAVG: 520600 6.6083 -33.7334 24.3161 -35.0996 -52.5381 -24.1465 21.4764 -28.9072 77.1446 TIMING: 520600 CPU: 1540.46, 0.00296102/step Wall: 1540.46, 0.00296102/step, 3.68433 hours remaining, 205.269531 MB of memory in use. ENERGY: 520600 721.0668 2110.6997 1961.0137 104.8105 -206435.9671 18017.3154 0.0000 0.0000 34262.9058 -149258.1551 299.2265 -183521.0609 -149155.6794 298.7737 158.5821 186.3249 557837.7954 10.3941 10.4049 PRESSURE: 520800 -230.727 -43.1928 80.4817 -43.1922 -113.522 170.08 80.4816 170.08 -4.07723 GPRESSURE: 520800 -191.835 -5.60271 92.6003 -45.7739 -40.9645 171.667 71.7759 124.506 -17.9325 PRESSAVG: 520800 -4.76434 -10.2776 2.71132 -10.2775 -49.3545 -27.7673 2.71133 -27.7672 70.6847 GPRESSAVG: 520800 -5.13906 -11.7686 0.0160094 -7.4966 -50.3896 -27.4662 3.13956 -25.694 72.5163 TIMING: 520800 CPU: 1541.06, 0.00297659/step Wall: 1541.06, 0.00297659/step, 3.70354 hours remaining, 205.269531 MB of memory in use. ENERGY: 520800 746.0139 2095.3675 1947.0090 110.8112 -206237.2316 17787.4179 0.0000 0.0000 34154.2038 -149396.4084 298.2772 -183550.6121 -149296.5562 299.4490 -116.1088 -83.5773 558218.4075 5.5219 5.6626 PRESSURE: 521000 -236.103 -40.1138 120.856 -40.1151 -5.76973 121.955 120.856 121.954 -265.248 GPRESSURE: 521000 -169.973 -51.621 125.649 -14.5909 20.3448 124.3 71.4109 93.763 -249.965 PRESSAVG: 521000 55.6653 -18.9608 -76.8599 -18.9608 -26.1421 -42.5055 -76.8598 -42.5054 -12.2052 GPRESSAVG: 521000 55.3232 -19.9194 -76.8311 -18.6251 -24.6519 -40.3504 -77.5783 -44.0288 -13.9714 TIMING: 521000 CPU: 1541.66, 0.00298389/step Wall: 1541.66, 0.00298389/step, 3.71246 hours remaining, 205.269531 MB of memory in use. ENERGY: 521000 773.7867 2075.3708 1955.1401 120.6836 -206466.0866 17773.0032 0.0000 0.0000 34411.6216 -149356.4807 300.5253 -183768.1023 -149268.2410 299.3110 -169.0403 -133.1975 557679.4369 5.7727 5.5666 PRESSURE: 521200 -290.576 157.897 -99.8161 157.898 -165.764 -37.9401 -99.8145 -37.9383 -351.051 GPRESSURE: 521200 -229.307 180.816 -105.279 94.5924 -151.36 -62.416 -71.5415 -40.7604 -320.378 PRESSAVG: 521200 6.02059 62.2938 5.25482 62.2938 -21.8095 -0.245733 5.2548 -0.245682 17.1943 GPRESSAVG: 521200 6.10455 64.9873 7.64129 59.1656 -22.0014 -2.83558 4.66732 0.861123 17.4493 TIMING: 521200 CPU: 1542.24, 0.00294138/step Wall: 1542.24, 0.00294138/step, 3.65941 hours remaining, 205.324219 MB of memory in use. ENERGY: 521200 754.0620 2066.6615 1928.1972 104.4262 -206295.4109 17653.3721 0.0000 0.0000 34233.4379 -149555.2539 298.9691 -183788.6918 -149460.3076 298.2541 -269.1303 -233.6818 559453.2781 0.4684 0.5175 PRESSURE: 521400 68.9022 106.035 -13.8134 106.035 231.455 89.2101 -13.8133 89.2124 71.2249 GPRESSURE: 521400 106.521 73.4042 -16.6884 37.8082 264.917 61.7857 -23.2975 176.228 103.123 PRESSAVG: 521400 -5.56521 11.9806 25.4207 11.9805 8.77117 0.347132 25.4205 0.347159 6.29072 GPRESSAVG: 521400 -6.08376 12.4161 23.428 12.2186 9.34056 -0.236279 26.3125 1.22101 5.47955 TIMING: 521400 CPU: 1542.84, 0.00296467/step Wall: 1542.84, 0.00296467/step, 3.68821 hours remaining, 205.324219 MB of memory in use. ENERGY: 521400 755.7985 2107.8669 1916.0968 124.1353 -206570.9131 17998.2455 0.0000 0.0000 34086.1612 -149582.6089 297.6829 -183668.7701 -149485.5507 298.0172 123.8608 158.1871 557041.0856 3.1656 2.9121 PRESSURE: 521600 -67.2591 2.19105 170.873 2.19219 -287.008 -122.097 170.874 -122.096 -594.061 GPRESSURE: 521600 -27.1761 12.0899 148.999 71.2173 -291.067 -150.47 231.455 -123.439 -535.985 PRESSAVG: 521600 34.6503 -8.17704 -23.3811 -8.17698 9.03254 31.8326 -23.3812 31.8326 -43.4844 GPRESSAVG: 521600 35.5012 -9.34503 -22.3678 -7.19194 7.8742 31.1367 -23.9965 32.3561 -43.4591 TIMING: 521600 CPU: 1543.43, 0.00296311/step Wall: 1543.43, 0.00296311/step, 3.6861 hours remaining, 205.324219 MB of memory in use. ENERGY: 521600 780.7778 2066.1275 1921.6848 109.4698 -206033.0898 17451.9680 0.0000 0.0000 34112.1276 -149590.9344 297.9097 -183703.0619 -149495.3925 298.1144 -316.1093 -284.7428 558984.7755 0.0662 -0.0279 PRESSURE: 521800 140.883 -39.1886 -97.1417 -39.1881 -291.405 24.8599 -97.1413 24.8605 18.8004 GPRESSURE: 521800 155.438 2.00998 -73.4683 26.8142 -252.483 66.0267 -122.949 27.4931 52.1039 PRESSAVG: 521800 50.1476 52.6485 -4.36856 52.6485 -15.2077 15.7788 -4.36854 15.7788 -19.414 GPRESSAVG: 521800 49.3626 53.9816 -2.72886 53.1154 -15.4276 16.4051 -4.18916 13.074 -18.9477 TIMING: 521800 CPU: 1544.02, 0.00294833/step Wall: 1544.02, 0.00294833/step, 3.66756 hours remaining, 205.324219 MB of memory in use. ENERGY: 521800 767.8424 2025.9617 1942.0136 112.4779 -206491.2428 18002.2646 0.0000 0.0000 34226.0466 -149414.6360 298.9046 -183640.6826 -149319.5766 298.8595 -43.9071 -14.9805 557681.7810 5.1753 4.9958 PRESSURE: 522000 -177.914 36.7088 17.5646 36.7083 1.67174 137.117 17.5639 137.117 -230.977 GPRESSURE: 522000 -78.2179 67.0425 -30.3947 3.19535 18.4968 159.895 56.5015 134.518 -257.803 PRESSAVG: 522000 47.483 9.12695 -41.8096 9.12697 -46.9442 42.3025 -41.8097 42.3025 29.0408 GPRESSAVG: 522000 47.8138 7.75325 -43.6905 8.37708 -46.7246 44.0115 -42.6613 41.3673 28.886 TIMING: 522000 CPU: 1544.61, 0.00297047/step Wall: 1544.61, 0.00297047/step, 3.69493 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: 522000 755.3723 2085.1905 1961.7229 102.8622 -206119.6223 17622.1326 0.0000 0.0000 34284.4490 -149307.8927 299.4146 -183592.3417 -149210.6044 298.5855 -135.7395 -105.8412 556799.4458 9.8599 9.9917 PRESSURE: 522200 -225.311 38.7542 -13.5952 38.7531 -79.9037 10.6748 -13.5974 10.6752 -146.039 GPRESSURE: 522200 -159.15 45.7793 65.1043 2.72251 -91.862 -16.4638 -37.5885 31.0325 -107.517 PRESSAVG: 522200 -54.011 63.6352 -20.6795 63.6351 26.8251 11.9218 -20.6794 11.9217 -9.24236 GPRESSAVG: 522200 -53.7478 65.8856 -19.4795 63.0495 27.718 9.22254 -20.484 12.2527 -10.1694 TIMING: 522200 CPU: 1545.21, 0.00296221/step Wall: 1545.21, 0.00296221/step, 3.68449 hours remaining, 205.324219 MB of memory in use. ENERGY: 522200 751.3031 2131.0782 1951.9839 108.3199 -206188.6816 17666.5521 0.0000 0.0000 34087.2190 -149492.2255 297.6922 -183579.4444 -149397.7961 298.8728 -150.4180 -119.5095 557269.5660 -12.1428 -12.0664 PRESSURE: 522400 16.2919 -52.9002 165.565 -52.901 -71.067 -31.7857 165.564 -31.7856 -74.3547 GPRESSURE: 522400 79.4284 56.6022 74.5741 -67.395 -47.4112 16.1524 231.544 -26.181 -63.2817 PRESSAVG: 522400 10.4177 23.3631 6.78988 23.363 -41.7388 -24.7991 6.78996 -24.799 10.4988 GPRESSAVG: 522400 9.83603 22.0849 6.5996 24.7179 -42.4865 -23.034 5.90494 -25.4566 12.3632 TIMING: 522400 CPU: 1545.8, 0.00296899/step Wall: 1545.8, 0.00296899/step, 3.69276 hours remaining, 205.324219 MB of memory in use. ENERGY: 522400 727.7294 2059.8957 1973.1234 114.7605 -205999.5809 17699.1330 0.0000 0.0000 34058.4009 -149366.5381 297.4405 -183424.9390 -149267.6101 298.6384 -43.0433 -10.4215 557096.7188 -6.9408 -6.7624 PRESSURE: 522600 35.7694 -150.137 -168.799 -150.138 65.0793 -32.1362 -168.8 -32.1341 337.093 GPRESSURE: 522600 34.3883 -137.791 -18.7849 -204.665 109.36 -89.2994 -233.155 -31.5075 384.273 PRESSAVG: 522600 -15.109 -41.8296 15.7545 -41.8296 15.008 -20.8341 15.7544 -20.8341 -2.0548 GPRESSAVG: 522600 -13.4577 -42.9857 13.9231 -43.515 15.2043 -24.2471 19.3337 -19.7902 -3.62206 TIMING: 522600 CPU: 1546.39, 0.00295877/step Wall: 1546.39, 0.00295877/step, 3.67989 hours remaining, 205.324219 MB of memory in use. ENERGY: 522600 762.0462 2086.2987 1926.0737 110.5970 -206564.7191 17981.1884 0.0000 0.0000 34221.4467 -149477.0683 298.8644 -183698.5150 -149385.7752 298.2734 145.9805 176.0069 555486.2752 -0.7186 -0.6252 PRESSURE: 522800 -95.8138 41.676 27.6371 41.6766 129.07 8.26493 27.6372 8.26401 -240.75 GPRESSURE: 522800 -66.6116 22.7791 21.0628 70.0287 220.229 24.6588 -6.01922 -4.49301 -256.175 PRESSAVG: 522800 30.1745 10.4306 -1.8392 10.4307 -5.55205 -33.6296 -1.83932 -33.6296 1.80101 GPRESSAVG: 522800 29.559 11.6114 -0.312337 11.6006 -5.25878 -30.615 -4.54524 -33.4523 2.25582 TIMING: 522800 CPU: 1546.98, 0.00296135/step Wall: 1546.98, 0.00296135/step, 3.68293 hours remaining, 205.324219 MB of memory in use. ENERGY: 522800 717.2672 2073.8868 1956.6502 122.6580 -206455.8211 17796.4878 0.0000 0.0000 34403.8974 -149384.9738 300.4578 -183788.8712 -149287.3793 298.8843 -69.1646 -34.1857 557859.5079 8.8078 8.8520 PRESSURE: 523000 -169.835 -136.942 76.8443 -136.942 -169.794 -28.5044 76.8444 -28.5046 149.769 GPRESSURE: 523000 -124.884 -185.596 76.689 -39.9412 -152.211 -21.9717 51.1043 -12.7094 186.18 PRESSAVG: 523000 11.1221 11.1741 59.3405 11.174 4.03386 -18.8262 59.3405 -18.8261 -31.8458 GPRESSAVG: 523000 11.5273 9.95396 59.2674 10.8455 2.66606 -20.0867 60.138 -18.6563 -30.8889 TIMING: 523000 CPU: 1547.58, 0.00298514/step Wall: 1547.58, 0.00298514/step, 3.71235 hours remaining, 205.324219 MB of memory in use. ENERGY: 523000 731.0749 2119.3815 1954.9841 110.4664 -206294.6293 17769.6876 0.0000 0.0000 34137.6036 -149471.4312 298.1322 -183609.0348 -149377.3334 298.8008 -63.2866 -30.3049 558358.3833 -5.5633 -5.5652 PRESSURE: 523200 -15.8667 -194.426 -92.3198 -194.426 105.393 68.7311 -92.3203 68.7316 30.0989 GPRESSURE: 523200 30.261 -163.397 -80.1701 -253.301 82.9977 3.92769 -55.8177 83.9123 114.275 PRESSAVG: 523200 -0.111946 -0.984663 -18.8778 -0.984702 37.1182 -22.2557 -18.8779 -22.2556 -18.2206 GPRESSAVG: 523200 0.168509 -2.73313 -17.0939 -0.303898 37.394 -20.792 -20.57 -21.6268 -18.6339 TIMING: 523200 CPU: 1548.17, 0.00297295/step Wall: 1548.17, 0.00297295/step, 3.69703 hours remaining, 205.324219 MB of memory in use. ENERGY: 523200 772.9891 2120.8028 1912.0766 115.9382 -206707.7813 18148.5269 0.0000 0.0000 33967.5474 -149669.9001 296.6470 -183637.4475 -149574.7590 298.9039 39.8751 75.8447 557160.8436 6.2619 6.3095 PRESSURE: 523400 49.1651 -60.9881 48.5354 -60.9864 -40.3682 -60.9853 48.5376 -60.9873 96.1188 GPRESSURE: 523400 142.537 -114.2 54.4509 -29.7913 36.8674 -18.9867 54.8633 -66.79 34.4991 PRESSAVG: 523400 55.5732 -10.0433 39.9971 -10.0433 21.7339 -7.9685 39.9971 -7.9684 -30.6411 GPRESSAVG: 523400 54.828 -9.67041 39.4633 -9.97991 22.056 -9.20691 38.9548 -7.44208 -30.6648 TIMING: 523400 CPU: 1548.77, 0.00298003/step Wall: 1548.77, 0.00298003/step, 3.70567 hours remaining, 205.324219 MB of memory in use. ENERGY: 523400 734.7187 2104.9533 1929.8153 105.5531 -206578.6790 17849.4142 0.0000 0.0000 34124.4186 -149729.8058 298.0170 -183854.2245 -149626.8622 298.6136 34.9719 71.3011 558962.1504 15.5554 15.4064 PRESSURE: 523600 -16.8473 86.3183 20.3104 86.3171 -172.126 10.4771 20.3099 10.4762 -148.674 GPRESSURE: 523600 52.7722 177.585 -88.4172 22.933 -160.194 3.59666 97.2722 0.361384 -142.247 PRESSAVG: 523600 61.7867 6.96862 19.568 6.96863 -26.4967 -22.2292 19.5681 -22.229 -45.3207 GPRESSAVG: 523600 61.6258 7.43638 19.0263 5.37043 -26.0814 -23.0147 21.1918 -20.1927 -45.6227 TIMING: 523600 CPU: 1549.37, 0.00298995/step Wall: 1549.37, 0.00298995/step, 3.71784 hours remaining, 205.324219 MB of memory in use. ENERGY: 523600 750.2864 2084.1235 1921.1964 115.8983 -206715.9789 17924.3385 0.0000 0.0000 34184.3368 -149735.7990 298.5403 -183920.1358 -149637.2955 297.8195 -112.5493 -83.2232 559119.4631 -3.3436 -3.3595 PRESSURE: 523800 -237.128 -40.0525 22.3491 -40.0514 -323.88 2.81176 22.3484 2.81032 -389.443 GPRESSURE: 523800 -191.01 61.6457 -61.2234 -73.232 -277.998 29.4265 132.988 -2.544 -394.195 PRESSAVG: 523800 18.3553 19.6607 -0.580166 19.6606 -30.9622 -16.414 -0.580226 -16.4141 7.21777 GPRESSAVG: 523800 19.4744 20.7117 -2.26072 20.1243 -31.7522 -15.4228 0.989835 -18.3618 7.08926 TIMING: 523800 CPU: 1549.96, 0.00297388/step Wall: 1549.96, 0.00297388/step, 3.69769 hours remaining, 205.324219 MB of memory in use. ENERGY: 523800 755.2105 2096.4895 1947.6420 106.3756 -205981.6133 17351.4492 0.0000 0.0000 34080.4224 -149644.0241 297.6328 -183724.4465 -149541.3830 297.9142 -316.8171 -287.7342 558815.0936 -1.7964 -1.7295 PRESSURE: 524000 -121.664 29.2753 -153.109 29.2767 124.278 86.7832 -153.107 86.7815 62.447 GPRESSURE: 524000 -99.3217 15.028 -197.393 55.5653 160.298 97.3166 -126.271 22.2455 100.071 PRESSAVG: 524000 67.109 26.4271 12.0441 26.427 -90.2888 -25.8606 12.0441 -25.8605 79.2847 GPRESSAVG: 524000 66.344 26.073 12.6064 26.1803 -89.1672 -25.1486 11.7221 -27.2111 78.5843 TIMING: 524000 CPU: 1550.56, 0.00297551/step Wall: 1550.56, 0.00297551/step, 3.69955 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: 524000 731.0855 2044.6577 1941.6658 102.2921 -206473.2813 18037.2285 0.0000 0.0000 34090.3064 -149526.0453 297.7191 -183616.3517 -149436.2092 298.2217 21.6870 53.6823 558706.6622 18.7017 18.5870 PRESSURE: 524200 129.262 80.8505 -45.9708 80.8506 69.6042 109.745 -45.9697 109.745 50.9242 GPRESSURE: 524200 143.403 111.742 53.8777 12.4969 138.424 177.156 -82.4723 91.7141 61.4962 PRESSAVG: 524200 18.4146 -12.6127 -7.8952 -12.6127 -37.508 -0.404968 -7.89513 -0.405029 13.2876 GPRESSAVG: 524200 18.7768 -14.2662 -7.86576 -9.49456 -38.6168 -2.17559 -8.46667 1.6997 13.8772 TIMING: 524200 CPU: 1551.15, 0.00297724/step Wall: 1551.15, 0.00297724/step, 3.70154 hours remaining, 205.324219 MB of memory in use. ENERGY: 524200 688.8244 2094.0854 1969.6024 108.7373 -206270.5610 17771.5162 0.0000 0.0000 33971.6198 -149666.1756 296.6826 -183637.7954 -149569.6999 298.1125 83.2635 114.4409 558089.4833 -1.9353 -1.9876 LDB: ============= START OF LOAD BALANCING ============== 1554.58 LDB: ============== END OF LOAD BALANCING =============== 1554.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1554.58 LDB: ============= START OF LOAD BALANCING ============== 1554.88 LDB: Largest compute 4820 load 0.030023 is 25.5% of average load 0.117899 LDB: Average compute 0.001713 is 1.5% of average load 0.117899 LDB: TIME 1554.88 LOAD: AVG 0.117899 MAX 0.196203 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.805 MB LDB: TIME 1554.88 LOAD: AVG 0.117899 MAX 0.196203 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.051 MB LDB: TIME 1554.88 LOAD: AVG 0.117899 MAX 0.196203 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1554.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1554.88 PRESSURE: 524400 -68.4742 6.69157 140.651 6.69156 -59.0126 59.5535 140.652 59.5533 39.0803 GPRESSURE: 524400 -38.186 -55.4006 79.4615 13.9209 -18.1881 81.641 132.821 10.9734 63.945 PRESSAVG: 524400 -55.0154 18.3477 39.6253 18.3479 17.9356 20.8826 39.6254 20.8826 -6.57381 GPRESSAVG: 524400 -57.0324 20.6989 38.8907 17.525 19.0797 21.8019 39.594 19.2676 -6.19056 TIMING: 524400 CPU: 1551.75, 0.00299913/step Wall: 1551.75, 0.00299913/step, 3.72858 hours remaining, 203.730469 MB of memory in use. ENERGY: 524400 745.0966 2052.7615 1936.6864 108.5974 -206393.7540 17882.5565 0.0000 0.0000 34064.6710 -149603.3846 297.4952 -183668.0557 -149504.5781 297.2980 -29.4688 2.5236 557250.0366 -14.5512 -14.7144 PRESSURE: 524600 -239.429 -13.8397 59.5447 -13.8392 110.99 -48.729 59.5454 -48.7285 -222.59 GPRESSURE: 524600 -181.752 58.2075 16.2823 -4.44005 141.34 -68.1713 86.5439 -85.2383 -203.683 PRESSAVG: 524600 -27.7599 48.2656 -9.14481 48.2656 -28.596 -5.74852 -9.14481 -5.74846 37.5577 GPRESSAVG: 524600 -25.3687 47.5358 -9.93444 48.5992 -29.6707 -7.98846 -7.07175 -5.96267 36.3538 TIMING: 524600 CPU: 1552.34, 0.00294096/step Wall: 1552.34, 0.00294096/step, 3.65611 hours remaining, 203.730469 MB of memory in use. ENERGY: 524600 755.5088 2096.6081 1945.3786 110.9871 -206456.7096 17795.6974 0.0000 0.0000 34184.1944 -149568.3352 298.5391 -183752.5296 -149477.3937 297.8171 -117.0100 -81.3648 557612.6446 -6.2661 -6.2285 PRESSURE: 524800 153.31 22.38 -47.3313 22.3799 64.16 -55.8615 -47.3313 -55.862 -148.197 GPRESSURE: 524800 123.875 146.277 37.3114 -23.1267 123.65 46.0442 -40.3857 -39.5283 -76.5012 PRESSAVG: 524800 4.50247 50.5022 -2.06896 50.5023 -10.3972 -12.1341 -2.06894 -12.1342 33.9029 GPRESSAVG: 524800 2.40224 51.1008 -1.20008 50.3673 -9.12046 -11.5475 -3.01022 -9.27886 34.3691 TIMING: 524800 CPU: 1552.94, 0.00297073/step Wall: 1552.94, 0.00297073/step, 3.69294 hours remaining, 203.730469 MB of memory in use. ENERGY: 524800 716.2011 2129.6445 1944.2757 100.3639 -206469.9263 17854.9565 0.0000 0.0000 34219.0721 -149505.4125 298.8437 -183724.4847 -149411.6767 298.1529 23.0912 57.0080 555736.8936 9.3361 9.2169 PRESSURE: 525000 -105.341 63.8662 106.546 63.866 183.473 -39.9159 106.547 -39.9154 20.0064 GPRESSURE: 525000 -74.5591 -39.6919 89.2984 82.0104 201.238 -1.02961 69.6264 -113.315 73.8855 PRESSAVG: 525000 -7.82351 -18.4594 -23.8404 -18.4595 9.32393 41.5889 -23.8404 41.5887 -27.1905 GPRESSAVG: 525000 -8.11469 -19.4062 -23.4274 -19.1169 9.85466 42.218 -26.4438 38.4509 -27.6368 TIMING: 525000 CPU: 1553.53, 0.00295356/step Wall: 1553.53, 0.00295356/step, 3.67144 hours remaining, 203.730469 MB of memory in use. ENERGY: 525000 730.8424 2046.3929 1939.5051 101.7673 -206821.1628 17963.0428 0.0000 0.0000 34461.5866 -149578.0257 300.9616 -184039.6123 -149488.3845 298.6991 32.7130 66.8549 556248.7270 -8.5634 -8.6323 PRESSURE: 525200 -102.771 37.997 61.3315 37.9965 154.857 -31.226 61.3328 -31.2269 -197.402 GPRESSURE: 525200 -60.1183 9.58878 -45.7173 1.18534 152.585 -138.125 130.071 -14.705 -146.887 PRESSAVG: 525200 -28.4288 -36.4177 -6.99942 -36.4177 28.196 26.7913 -6.99947 26.7913 -28.345 GPRESSAVG: 525200 -28.1941 -35.9059 -8.03442 -36.1781 27.4668 27.3871 -7.23037 26.5809 -28.2597 TIMING: 525200 CPU: 1554.12, 0.00297274/step Wall: 1554.12, 0.00297274/step, 3.69512 hours remaining, 203.730469 MB of memory in use. ENERGY: 525200 719.0096 2084.9127 1919.1250 105.0365 -206216.7653 17710.5316 0.0000 0.0000 34116.1574 -149561.9925 297.9449 -183678.1499 -149469.7492 298.2243 -48.4386 -18.1403 555902.6990 -9.5259 -9.6623 PRESSURE: 525400 -26.0215 28.5219 -17.2359 28.5214 -35.1338 76.6976 -17.2353 76.6986 96.706 GPRESSURE: 525400 20.243 24.4405 31.1431 30.2258 -47.523 25.1014 -53.5615 106.612 165.322 PRESSAVG: 525400 13.1247 34.495 15.0291 34.4951 -45.4579 14.1411 15.0291 14.1412 38.2559 GPRESSAVG: 525400 14.9317 33.6704 17.0819 35.7292 -45.8786 13.8855 15.6158 14.8217 36.7794 TIMING: 525400 CPU: 1554.71, 0.00295944/step Wall: 1554.71, 0.00295944/step, 3.67842 hours remaining, 203.730469 MB of memory in use. ENERGY: 525400 720.3311 2098.0744 1946.4815 112.5937 -206246.0077 17785.4110 0.0000 0.0000 34114.2996 -149468.8164 297.9287 -183583.1160 -149372.1556 298.6129 11.8502 46.0140 555335.7816 1.9742 1.9442 PRESSURE: 525600 0.0260191 26.1219 59.8395 26.1209 20.1734 27.5029 59.8395 27.5033 115.671 GPRESSURE: 525600 35.5018 -5.07572 -5.35361 25.4557 81.3599 34.4676 48.8309 53.7118 131.185 PRESSAVG: 525600 -11.549 13.6449 60.5057 13.645 -18.4813 -44.5372 60.5057 -44.5371 1.86411 GPRESSAVG: 525600 -12.6445 14.3361 59.2095 11.4737 -18.6557 -45.1807 60.3965 -43.2331 3.05623 TIMING: 525600 CPU: 1555.3, 0.00294158/step Wall: 1555.3, 0.00294158/step, 3.65606 hours remaining, 203.730469 MB of memory in use. ENERGY: 525600 727.0889 2138.9596 1949.0427 111.9735 -206613.7983 17948.2329 0.0000 0.0000 34120.6564 -149617.8443 297.9842 -183738.5007 -149526.5825 298.1386 45.2900 82.6821 556908.6421 -9.3887 -9.4147 PRESSURE: 525800 77.6742 -136.154 1.03606 -136.153 -195.87 78.0378 1.0365 78.0381 82.1324 GPRESSURE: 525800 109.782 -175.481 13.4448 -183.278 -174.861 113.866 75.5788 149.344 113.42 PRESSAVG: 525800 -14.4875 7.67373 23.7781 7.67368 -0.708192 -18.0212 23.7781 -18.0212 46.9043 GPRESSAVG: 525800 -14.4603 6.23997 26.4778 8.1367 -0.449935 -17.9533 24.2487 -17.8714 46.405 TIMING: 525800 CPU: 1555.89, 0.00296061/step Wall: 1555.89, 0.00296061/step, 3.67954 hours remaining, 203.742188 MB of memory in use. ENERGY: 525800 687.3595 2096.2133 1926.3070 119.0230 -205866.8050 17544.2786 0.0000 0.0000 34012.3664 -149481.2574 297.0385 -183493.6238 -149382.8040 297.7954 -12.0211 16.1139 557413.3795 10.5696 10.4982 PRESSURE: 526000 255.149 201.525 112.906 201.525 -20.0485 -193.19 112.907 -193.189 224.493 GPRESSURE: 526000 280.301 48.5193 99.5997 235.879 9.30279 -113.053 43.2764 -129.134 270.281 PRESSAVG: 526000 69.8821 13.4598 46.1069 13.4599 -93.5951 -2.91188 46.1069 -2.91175 22.7835 GPRESSAVG: 526000 69.7561 14.9875 42.7512 13.2076 -94.2251 -2.4975 46.0259 -3.32181 22.9972 TIMING: 526000 CPU: 1556.49, 0.00296994/step Wall: 1556.49, 0.00296994/step, 3.69097 hours remaining, 203.742188 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: 526000 724.6393 2120.1807 1966.0286 109.5177 -206702.1007 17999.8524 0.0000 0.0000 34158.8961 -149622.9860 298.3181 -183781.8820 -149530.6323 297.9223 153.1976 186.6284 556635.0554 -0.3098 -0.4906 PRESSURE: 526200 -119.754 21.3019 130.498 21.3029 188.192 -75.4555 130.499 -75.455 226.291 GPRESSURE: 526200 -52.2536 10.3674 108.981 90.5716 201.249 -85.8993 262.579 -84.4222 234.513 PRESSAVG: 526200 -60.4138 39.7618 33.0803 39.7618 -2.7923 -24.7449 33.0803 -24.7449 33.9563 GPRESSAVG: 526200 -61.5105 39.9108 33.1026 38.9203 -1.23741 -25.1508 33.0204 -24.0078 33.4327 TIMING: 526200 CPU: 1557.08, 0.00297829/step Wall: 1557.08, 0.00297829/step, 3.70119 hours remaining, 203.742188 MB of memory in use. ENERGY: 526200 749.5456 2089.6669 1917.3302 107.2043 -206206.6759 17859.0146 0.0000 0.0000 34087.6833 -149396.2310 297.6962 -183483.9143 -149306.9242 298.3068 98.2431 127.8362 557735.0707 -9.7500 -9.7717 PRESSURE: 526400 -186.046 -55.7201 -171.856 -55.7208 -124.502 345.693 -171.855 345.694 86.6207 GPRESSURE: 526400 -189.111 -45.5121 -261.748 -59.9348 -56.2966 276.003 -169.933 351.373 110.284 PRESSAVG: 526400 -20.4326 -45.4202 -36.8522 -45.4202 -37.5135 -0.870169 -36.8522 -0.870082 23.0584 GPRESSAVG: 526400 -19.9195 -44.794 -35.2758 -44.4099 -37.6656 -0.457226 -36.7645 -3.16591 23.1547 TIMING: 526400 CPU: 1557.68, 0.0029626/step Wall: 1557.68, 0.0029626/step, 3.68153 hours remaining, 203.742188 MB of memory in use. ENERGY: 526400 765.7384 2074.4262 1949.9790 113.7039 -206528.3762 17858.2189 0.0000 0.0000 34351.5281 -149414.7816 300.0004 -183766.3098 -149316.6513 299.1971 -74.6424 -45.0411 557584.8501 -11.6292 -11.4768 PRESSURE: 526600 -70.8595 78.6574 -50.0381 78.6576 -143.687 -60.7742 -50.0378 -60.7746 -92.5451 GPRESSURE: 526600 -79.2819 131.691 -166.334 131.378 -87.3965 -15.5808 -21.2722 -114.458 -42.1477 PRESSAVG: 526600 -7.92042 -17.471 18.6637 -17.471 18.6306 -20.2225 18.6637 -20.2224 4.74295 GPRESSAVG: 526600 -8.17923 -15.5573 18.0887 -17.7381 17.5334 -20.2819 17.986 -20.3871 5.34402 TIMING: 526600 CPU: 1558.27, 0.00296464/step Wall: 1558.27, 0.00296464/step, 3.68389 hours remaining, 203.742188 MB of memory in use. ENERGY: 526600 765.7282 2036.3049 1926.6997 114.5903 -206023.1401 17650.2178 0.0000 0.0000 34133.0164 -149396.5828 298.0921 -183529.5992 -149298.0387 298.6818 -102.3640 -69.6087 557893.0902 5.1510 4.8994 PRESSURE: 526800 -63.5342 24.2954 63.8034 24.2944 -180.533 -288.302 63.8036 -288.303 -194.334 GPRESSURE: 526800 -108.715 -18.0314 70.1066 -0.758566 -138.698 -261.222 -2.32794 -226.584 -93.0761 PRESSAVG: 526800 10.1428 43.1673 24.8195 43.1673 21.5967 -14.2456 24.8195 -14.2457 21.6586 GPRESSAVG: 526800 8.9015 41.9198 24.3435 43.7739 21.488 -12.8962 26.4525 -11.2038 22.561 TIMING: 526800 CPU: 1558.86, 0.00295733/step Wall: 1558.86, 0.00295733/step, 3.67464 hours remaining, 203.742188 MB of memory in use. ENERGY: 526800 788.2607 2058.1137 1975.1076 114.5304 -206467.8179 17880.0423 0.0000 0.0000 34166.2067 -149485.5566 298.3820 -183651.7633 -149391.2412 298.9206 -146.1336 -113.4967 559292.2044 17.7994 17.6502 PRESSURE: 527000 -574.501 -1.79794 52.7241 -1.80094 -497.73 41.5246 52.7225 41.5261 -235.081 GPRESSURE: 527000 -515.44 25.8466 -12.5911 -53.5418 -501.257 12.7316 93.0817 71.8912 -182.45 PRESSAVG: 527000 -19.9167 -9.48194 55.9876 -9.48199 -28.6868 -23.4818 55.9875 -23.4818 16.5569 GPRESSAVG: 527000 -19.8083 -8.94712 58.668 -11.2819 -28.206 -24.8909 54.6567 -24.5494 15.8715 TIMING: 527000 CPU: 1559.46, 0.00298237/step Wall: 1559.46, 0.00298237/step, 3.7056 hours remaining, 203.742188 MB of memory in use. ENERGY: 527000 768.2399 2155.2758 1938.4288 109.8293 -206244.1766 17502.7904 0.0000 0.0000 34306.2224 -149463.3900 299.6048 -183769.6124 -149362.4807 298.5292 -435.7707 -399.7159 559772.6695 -10.6822 -10.7142 PRESSURE: 527200 -154.613 29.2956 145.198 29.2954 -227.035 -38.2507 145.198 -38.2513 52.936 GPRESSURE: 527200 -17.3478 -7.95601 111.312 50.7796 -232.929 -42.0605 170.515 -43.1388 32.1816 PRESSAVG: 527200 -76.2967 51.8309 0.72152 51.8308 -0.934173 24.128 0.721528 24.128 34.6985 GPRESSAVG: 527200 -74.167 49.3631 -2.11578 54.521 -1.17802 24.6062 1.03622 25.2942 33.3861 TIMING: 527200 CPU: 1560.05, 0.00297513/step Wall: 1560.05, 0.00297513/step, 3.69643 hours remaining, 203.742188 MB of memory in use. ENERGY: 527200 738.6988 2017.4801 1951.5275 115.6110 -206541.4664 18061.8590 0.0000 0.0000 34196.4342 -149459.8557 298.6460 -183656.2899 -149358.5608 298.1568 -109.5708 -72.6985 558954.3730 -14.1774 -13.9863 PRESSURE: 527400 -175.495 -104.45 -56.4117 -104.45 -352.07 140.627 -56.4112 140.627 -462.312 GPRESSURE: 527400 -144.177 -68.7917 -57.2052 -124.037 -292.814 45.7138 -51.4688 171.741 -464.958 PRESSAVG: 527400 -0.511766 -5.31585 13.2941 -5.31575 26.8293 -31.3143 13.2941 -31.3143 -11.7373 GPRESSAVG: 527400 -1.23504 -3.97428 12.6606 -5.85406 27.0016 -32.1583 13.3466 -31.1363 -11.0504 TIMING: 527400 CPU: 1560.65, 0.00297377/step Wall: 1560.65, 0.00297377/step, 3.69458 hours remaining, 203.742188 MB of memory in use. ENERGY: 527400 757.7275 2133.7273 1967.8248 113.4868 -205817.3756 17399.4317 0.0000 0.0000 33924.7272 -149520.4503 296.2731 -183445.1775 -149425.4292 298.4586 -329.9591 -300.6497 559995.8008 4.8601 4.9054 PRESSURE: 527600 -22.1705 -45.0357 -55.1093 -45.0366 -94.9865 13.8745 -55.1107 13.8752 -246.125 GPRESSURE: 527600 -14.4702 -62.9645 -53.127 -87.3597 -75.7916 -14.0909 5.86747 -10.6233 -180.586 PRESSAVG: 527600 -2.08929 -8.7025 -27.4479 -8.70246 35.8219 -41.9002 -27.4479 -41.9003 -62.3399 GPRESSAVG: 527600 -1.80061 -8.16948 -26.4576 -9.87463 35.5213 -41.4257 -26.1865 -44.5431 -62.0522 TIMING: 527600 CPU: 1561.24, 0.0029557/step Wall: 1561.24, 0.0029557/step, 3.67196 hours remaining, 203.742188 MB of memory in use. ENERGY: 527600 757.2229 2062.8678 1940.7529 118.9242 -206489.5200 17954.4695 0.0000 0.0000 34252.4269 -149402.8559 299.1350 -183655.2828 -149310.8015 298.1243 -121.0941 -90.2827 560052.2384 -9.5357 -9.4438 PRESSURE: 527800 32.7204 -45.4044 -26.6116 -45.4043 -134.617 109.534 -26.6122 109.535 31.7745 GPRESSURE: 527800 4.67197 8.27596 -36.0985 -131.136 -76.4291 56.8236 -118.423 136.231 87.4124 PRESSAVG: 527800 -4.62624 -24.9136 13.41 -24.9136 -1.35256 9.06001 13.41 9.05992 35.5766 GPRESSAVG: 527800 -3.02901 -27.0671 14.0268 -23.6119 -1.49025 8.168 11.7001 11.6522 34.1443 TIMING: 527800 CPU: 1561.83, 0.00296463/step Wall: 1561.83, 0.00296463/step, 3.6829 hours remaining, 203.742188 MB of memory in use. ENERGY: 527800 741.7876 2121.4442 1926.4042 125.7306 -206416.5171 17855.7034 0.0000 0.0000 34054.0345 -149591.4126 297.4024 -183645.4471 -149503.5269 298.2885 -23.3742 5.2184 557382.1057 9.8659 9.8750 PRESSURE: 528000 219.719 11.7562 152.706 11.7559 50.1014 56.0451 152.707 56.045 168.175 GPRESSURE: 528000 245.662 -4.68639 185.208 -29.8878 130.922 5.93879 129.297 39.4839 157.664 PRESSAVG: 528000 -20.0562 31.7649 76.3077 31.765 3.94651 23.9926 76.3076 23.9926 35.5051 GPRESSAVG: 528000 -21.6918 34.4016 77.7259 28.7021 4.90784 25.3671 76.4249 21.5608 35.8624 TIMING: 528000 CPU: 1562.42, 0.00295249/step Wall: 1562.42, 0.00295249/step, 3.66765 hours remaining, 203.742188 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: 528000 742.2056 2115.4116 1960.9306 119.2060 -206734.0038 18067.2440 0.0000 0.0000 34341.5390 -149387.4670 299.9132 -183729.0060 -149296.2486 298.6256 145.9983 178.0828 557067.2063 6.4652 6.3595 PRESSURE: 528200 -88.292 -62.4005 170.182 -62.4014 72.4343 -95.2671 170.181 -95.2668 19.8479 GPRESSURE: 528200 20.7415 -56.383 133.486 -74.9115 87.0649 -115.843 173.847 -67.5911 0.548807 PRESSAVG: 528200 39.8749 -56.8506 85.8553 -56.8507 -58.9313 -26.5289 85.8553 -26.5288 -18.9896 GPRESSAVG: 528200 40.0257 -60.0583 85.6593 -53.9569 -58.9983 -28.2529 85.5563 -25.8674 -18.7202 TIMING: 528200 CPU: 1563.01, 0.00293878/step Wall: 1563.01, 0.00293878/step, 3.65046 hours remaining, 203.742188 MB of memory in use. ENERGY: 528200 754.9515 2080.9578 1958.6552 118.5908 -206104.1372 17734.5582 0.0000 0.0000 34186.9667 -149269.4570 298.5633 -183456.4237 -149171.1848 298.7815 1.3301 36.1184 558406.5802 -12.6820 -12.5643 LDB: ============= START OF LOAD BALANCING ============== 1566.43 LDB: ============== END OF LOAD BALANCING =============== 1566.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1566.43 LDB: ============= START OF LOAD BALANCING ============== 1566.73 LDB: Largest compute 4820 load 0.029626 is 25.1% of average load 0.117833 LDB: Average compute 0.001718 is 1.5% of average load 0.117833 LDB: TIME 1566.73 LOAD: AVG 0.117833 MAX 0.195992 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.055 MB LDB: TIME 1566.73 LOAD: AVG 0.117833 MAX 0.195992 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: TIME 1566.73 LOAD: AVG 0.117833 MAX 0.195992 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: ============== END OF LOAD BALANCING =============== 1566.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1566.74 PRESSURE: 528400 215.904 34.0422 -61.3823 34.0414 162.007 -39.9153 -61.3814 -39.9158 -12.2783 GPRESSURE: 528400 227.81 13.5602 -104.716 96.8464 159.347 -128.334 -40.9648 40.0415 79.0352 PRESSAVG: 528400 -1.90486 -10.854 -20.0905 -10.854 -25.5117 28.1007 -20.0906 28.1008 38.281 GPRESSAVG: 528400 -2.73376 -9.50476 -19.4591 -12.9274 -25.9272 28.2301 -19.1272 29.2902 39.5215 TIMING: 528400 CPU: 1563.61, 0.00300279/step Wall: 1563.61, 0.00300279/step, 3.7298 hours remaining, 204.765625 MB of memory in use. ENERGY: 528400 747.9923 2133.0224 1959.8407 113.3973 -206484.4238 17898.2048 0.0000 0.0000 34077.8170 -149554.1493 297.6101 -183631.9663 -149457.5674 299.0917 121.8775 155.3974 554947.1810 3.6215 3.6202 PRESSURE: 528600 -263.242 -20.6901 -192.193 -20.6906 83.6899 83.7927 -192.193 83.7904 -62.1533 GPRESSURE: 528600 -202.803 -107.19 -223.366 -66.8816 151.649 136.343 -149.071 77.1503 -87.4529 PRESSAVG: 528600 11.8827 -21.1338 -5.65417 -21.1338 1.03591 18.0381 -5.65411 18.038 -14.7838 GPRESSAVG: 528600 13.256 -20.4476 -5.95121 -20.9092 0.883478 20.8013 -6.25628 17.3204 -16.0004 TIMING: 528600 CPU: 1564.2, 0.00296424/step Wall: 1564.2, 0.00296424/step, 3.68175 hours remaining, 204.765625 MB of memory in use. ENERGY: 528600 776.7811 2086.5717 1947.4695 131.7934 -206353.3027 17942.7344 0.0000 0.0000 34086.1084 -149381.8441 297.6825 -183467.9525 -149288.4278 298.4532 -80.5684 -46.2025 558625.7842 -0.6217 -0.6203 PRESSURE: 528800 -175.878 41.1488 -66.3356 41.1478 182.916 -245.419 -66.3355 -245.419 -40.4545 GPRESSURE: 528800 -154.045 64.4884 11.7258 23.2136 170.53 -232.352 -84.8053 -260.623 48.8385 PRESSAVG: 528800 -2.7834 27.8512 -8.64285 27.8512 36.9113 -17.2584 -8.64288 -17.2584 -35.995 GPRESSAVG: 528800 -4.11699 27.5083 -9.91173 27.9835 36.4814 -18.9653 -7.96018 -18.2855 -34.6744 TIMING: 528800 CPU: 1564.8, 0.00296325/step Wall: 1564.8, 0.00296325/step, 3.68036 hours remaining, 204.765625 MB of memory in use. ENERGY: 528800 747.0956 2035.6987 1911.4630 112.3700 -206688.5566 17999.7600 0.0000 0.0000 34312.5607 -149569.6085 299.6601 -183882.1693 -149474.3592 298.4843 -11.1389 21.7746 558547.6185 -0.6224 -0.7700 PRESSURE: 529000 169.996 143.853 137.227 143.854 170.373 75.3602 137.228 75.3612 228.856 GPRESSURE: 529000 148.544 50.9211 189.13 150.202 298.523 74.3386 132.096 159.415 210.066 PRESSAVG: 529000 -12.599 45.7531 23.8753 45.7531 30.2281 -29.1162 23.8753 -29.1162 -33.2204 GPRESSAVG: 529000 -12.0523 46.1754 24.8379 45.3687 30.9116 -28.6418 22.6538 -27.7556 -34.4819 TIMING: 529000 CPU: 1565.39, 0.00296291/step Wall: 1565.39, 0.00296291/step, 3.67976 hours remaining, 204.765625 MB of memory in use. ENERGY: 529000 728.7582 2001.3469 1950.9934 105.9219 -206908.7240 18274.9438 0.0000 0.0000 34309.0933 -149537.6664 299.6298 -183846.7598 -149435.6964 298.3869 189.7417 219.0441 558024.3282 -5.1971 -5.2075 PRESSURE: 529200 -188.951 -7.50218 90.5448 -7.50333 20.4725 19.4301 90.5455 19.4305 -295.896 GPRESSURE: 529200 -134.841 30.5393 166.055 31.853 38.3867 92.3681 -71.2408 -10.2442 -277.164 PRESSAVG: 529200 -7.10875 31.1382 30.9807 31.1382 -64.1531 -20.6598 30.9807 -20.6598 66.0557 GPRESSAVG: 529200 -6.68427 29.6923 31.3737 32.4528 -64.4386 -22.9241 31.0159 -18.429 66.1996 TIMING: 529200 CPU: 1565.98, 0.00296339/step Wall: 1565.98, 0.00296339/step, 3.68021 hours remaining, 204.765625 MB of memory in use. ENERGY: 529200 768.3168 2103.0191 1944.3080 103.3175 -206579.8362 17917.6060 0.0000 0.0000 34300.9340 -149442.3348 299.5586 -183743.2688 -149340.5414 298.1728 -154.7915 -124.5395 559928.7093 -1.7354 -1.6411 PRESSURE: 529400 67.0631 36.0624 -8.99401 36.0624 63.0112 14.3281 -8.99496 14.3286 -308.23 GPRESSURE: 529400 45.0081 46.1858 -97.8286 20.528 133.119 -74.1283 63.0014 41.0985 -267.019 PRESSAVG: 529400 4.88159 -38.3311 31.6243 -38.3311 75.5121 6.00163 31.6242 6.00162 6.90247 GPRESSAVG: 529400 6.223 -35.6379 30.3014 -40.5519 74.3848 7.47669 32.0975 4.84895 6.65258 TIMING: 529400 CPU: 1566.57, 0.00295896/step Wall: 1566.57, 0.00295896/step, 3.67454 hours remaining, 204.765625 MB of memory in use. ENERGY: 529400 751.3228 2055.8935 1939.8538 113.6313 -206207.1551 17803.1875 0.0000 0.0000 34174.3904 -149368.8757 298.4535 -183543.2662 -149277.1623 299.2194 -59.3851 -29.6306 558579.7632 29.0987 29.0868 PRESSURE: 529600 172.002 42.9018 83.5769 42.9022 161.999 -191.855 83.5758 -191.855 107.701 GPRESSURE: 529600 197.327 -60.5451 63.9561 110.104 133.497 -169.489 130.364 -145.505 208.271 PRESSAVG: 529600 21.1017 -41.1972 18.677 -41.1971 50.4754 -1.73139 18.6769 -1.7315 -78.3669 GPRESSAVG: 529600 19.732 -43.1761 20.2676 -38.1873 50.9388 0.774263 17.5638 -2.34532 -77.3606 TIMING: 529600 CPU: 1567.16, 0.00294579/step Wall: 1567.16, 0.00294579/step, 3.65802 hours remaining, 204.765625 MB of memory in use. ENERGY: 529600 719.8530 2113.0355 1950.2326 97.8672 -206545.5262 18035.8475 0.0000 0.0000 34116.9644 -149511.7260 297.9519 -183628.6904 -149412.3259 298.5890 147.2340 179.6986 556240.3193 -2.2633 -2.2300 PRESSURE: 529800 -215.696 -12.3793 1.92103 -12.379 -152.371 -76.5839 1.92063 -76.5835 -304.813 GPRESSURE: 529800 -163.483 63.8903 -10.9681 -97.1978 -195.411 -63.5778 19.6395 -63.2657 -209.131 PRESSAVG: 529800 -42.5391 -2.4188 56.3678 -2.41881 82.85 -1.48869 56.3677 -1.48875 -23.0382 GPRESSAVG: 529800 -41.2326 -2.13564 53.9648 -4.26632 82.2175 -3.90331 57.2843 -0.988484 -23.8613 TIMING: 529800 CPU: 1567.75, 0.0029586/step Wall: 1567.75, 0.0029586/step, 3.67376 hours remaining, 204.765625 MB of memory in use. ENERGY: 529800 785.9163 2092.7774 1954.6618 114.1993 -206484.2540 17739.9915 0.0000 0.0000 34289.9044 -149506.8034 299.4623 -183796.7078 -149406.4373 298.4980 -224.2931 -189.3414 557875.1793 5.7576 5.7079 PRESSURE: 530000 -145.709 180.227 -19.5317 180.227 -220.884 -186.639 -19.5321 -186.64 -125.543 GPRESSURE: 530000 -129.296 156.364 13.1081 199.433 -183.675 -146.615 -66.021 -168.096 -88.7802 PRESSAVG: 530000 114.799 -21.1118 22.4006 -21.1119 -70.1796 -67.1146 22.4005 -67.1145 -26.108 GPRESSAVG: 530000 113.847 -20.7092 22.0792 -19.4977 -69.6726 -65.3643 22.7324 -69.5644 -25.3478 TIMING: 530000 CPU: 1568.34, 0.0029569/step Wall: 1568.34, 0.0029569/step, 3.67148 hours remaining, 204.765625 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: 530000 705.7171 2084.6181 1947.1872 116.4190 -206268.8605 17697.7292 0.0000 0.0000 34069.6927 -149647.4972 297.5391 -183717.1900 -149554.0715 298.7820 -164.0453 -133.9170 558228.9979 6.1704 6.2754 PRESSURE: 530200 258.809 36.0681 169.751 36.069 -350.035 -63.9267 169.752 -63.9286 -190.085 GPRESSURE: 530200 274.431 26.1942 141.699 29.8916 -298.507 -64.6795 202.233 -37.1982 -167.583 PRESSAVG: 530200 75.3409 33.0863 33.1968 33.0863 -5.09911 -25.2741 33.1969 -25.274 -32.9309 GPRESSAVG: 530200 74.6856 33.0185 33.0603 33.2241 -4.47546 -26.8807 35.0816 -21.4995 -32.7119 TIMING: 530200 CPU: 1568.93, 0.00294495/step Wall: 1568.93, 0.00294495/step, 3.65648 hours remaining, 204.765625 MB of memory in use. ENERGY: 530200 760.6004 2057.3065 1943.8454 108.9280 -206803.8901 17995.3998 0.0000 0.0000 34373.5798 -149564.2302 300.1930 -183937.8100 -149470.5982 298.8206 -93.7704 -63.8863 558995.9303 12.4369 12.4994 PRESSURE: 530400 -88.5055 -37.9424 175.978 -37.9433 119.332 109.225 175.978 109.227 2.11776 GPRESSURE: 530400 -69.808 -12.1087 197.612 -42.1375 161.944 69.9226 249.661 93.2835 37.3892 PRESSAVG: 530400 62.0849 -15.0339 24.074 -15.0338 -11.9502 61.7308 24.0741 61.7309 -43.8666 GPRESSAVG: 530400 62.9241 -14.2234 26.7279 -17.2692 -12.2731 61.1876 21.2754 59.0311 -44.0753 TIMING: 530400 CPU: 1569.52, 0.0029377/step Wall: 1569.52, 0.0029377/step, 3.64732 hours remaining, 204.765625 MB of memory in use. ENERGY: 530400 753.1288 2068.5741 1946.0039 113.4996 -206635.4787 17844.1043 0.0000 0.0000 34447.8164 -149462.3516 300.8413 -183910.1681 -149370.7103 298.6635 10.9816 43.1751 557212.8471 2.0894 2.1919 PRESSURE: 530600 -96.8276 -119.513 -113.924 -119.513 -214.254 51.4005 -113.924 51.4 -487.211 GPRESSURE: 530600 -35.0666 -84.8291 -62.8501 -170.712 -197.533 -13.1803 -209.009 31.3852 -471.78 PRESSAVG: 530600 -0.848844 -45.0495 22.8278 -45.0494 3.8402 50.2084 22.8278 50.2083 -35.8842 GPRESSAVG: 530600 0.29162 -45.0353 22.8716 -44.2333 3.24992 49.0328 22.3649 50.3705 -35.803 TIMING: 530600 CPU: 1570.11, 0.00293036/step Wall: 1570.11, 0.00293036/step, 3.63804 hours remaining, 204.765625 MB of memory in use. ENERGY: 530600 775.5313 2171.9478 1944.4210 106.4307 -206331.7126 17528.8804 0.0000 0.0000 34109.7872 -149694.7142 297.8893 -183804.5014 -149597.9602 298.6922 -266.0977 -234.7932 556934.6019 -10.9643 -10.7538 PRESSURE: 530800 -209.684 -31.1262 -147.175 -31.1261 71.1985 -0.356833 -147.174 -0.357548 -18.5679 GPRESSURE: 530800 -109.997 22.2678 -93.5709 -47.4632 106.626 -2.10489 -221.568 -22.6563 -64.3664 PRESSAVG: 530800 74.0487 -20.2395 -14.9744 -20.2395 -44.3 44.5028 -14.9744 44.5027 -36.561 GPRESSAVG: 530800 73.0149 -20.6687 -14.8805 -20.1048 -43.7771 47.4418 -15.0846 43.8997 -36.3014 TIMING: 530800 CPU: 1570.7, 0.00294409/step Wall: 1570.7, 0.00294409/step, 3.65492 hours remaining, 204.765625 MB of memory in use. ENERGY: 530800 751.7769 2118.6667 1959.6253 125.2607 -206477.7254 17785.8242 0.0000 0.0000 34192.5290 -149544.0426 298.6119 -183736.5716 -149451.8224 298.7806 -52.3512 -22.5790 557159.7425 -2.2708 -2.3545 PRESSURE: 531000 57.5636 -28.5834 72.6437 -28.5827 -175.092 -37.081 72.6426 -37.0816 -133.863 GPRESSURE: 531000 72.9634 30.3507 123.212 -32.186 -127.254 -36.0377 42.9384 -13.6528 -100.236 PRESSAVG: 531000 8.3676 2.53438 5.36471 2.53435 -2.50838 62.2111 5.36466 62.2111 -23.6142 GPRESSAVG: 531000 9.13959 3.32488 5.40044 1.95178 -1.85894 60.5187 6.21739 63.5459 -25.0151 TIMING: 531000 CPU: 1571.28, 0.00293719/step Wall: 1571.28, 0.00293719/step, 3.64619 hours remaining, 205.015625 MB of memory in use. ENERGY: 531000 752.1650 2147.4957 1931.3204 115.8107 -206391.7216 17822.9219 0.0000 0.0000 34023.0330 -149598.9749 297.1316 -183622.0079 -149502.3174 297.6926 -83.7971 -51.5086 555988.2961 -5.9183 -5.9115 PRESSURE: 531200 -38.4052 80.1436 -67.1806 80.1443 32.3186 -31.4147 -67.1799 -31.4143 -170.168 GPRESSURE: 531200 -34.0939 118.06 -30.4206 132.2 67.8849 -15.9473 -60.7996 -73.3423 -120.686 PRESSAVG: 531200 -6.03433 -12.9019 35.095 -12.9019 36.4576 97.6096 35.095 97.6097 -10.4971 GPRESSAVG: 531200 -6.93204 -13.2657 34.5144 -12.6623 35.6418 97.873 36.3553 96.2605 -8.932 TIMING: 531200 CPU: 1571.87, 0.00293314/step Wall: 1571.87, 0.00293314/step, 3.641 hours remaining, 205.015625 MB of memory in use. ENERGY: 531200 739.7905 2111.9461 1983.1239 109.7312 -205912.8702 17652.5706 0.0000 0.0000 33849.9915 -149465.7165 295.6204 -183315.7080 -149373.3405 297.6904 -58.7517 -28.9650 557551.3972 6.6421 6.5926 PRESSURE: 531400 116.414 71.5383 -76.7879 71.5389 -16.7001 104.745 -76.7882 104.743 -197.041 GPRESSURE: 531400 156.567 19.6129 -41.2398 102.346 41.133 -11.1541 -76.2191 181.089 -183.054 PRESSAVG: 531400 63.0409 -0.201015 -6.0046 -0.200963 -29.8531 58.3807 -6.00454 58.3807 -55.4715 GPRESSAVG: 531400 62.7917 1.50861 -6.51506 -2.30814 -29.4072 57.6405 -5.95949 59.4497 -56.5543 TIMING: 531400 CPU: 1572.46, 0.00295228/step Wall: 1572.46, 0.00295228/step, 3.6646 hours remaining, 205.015625 MB of memory in use. ENERGY: 531400 758.9652 2134.5350 1936.3046 110.5090 -206382.7754 17914.5920 0.0000 0.0000 34002.6705 -149525.1991 296.9538 -183527.8696 -149426.6482 297.8119 -32.4425 4.8820 557505.6628 -7.4279 -7.7233 PRESSURE: 531600 64.8667 110.368 -129.968 110.369 -121.332 -73.6311 -129.968 -73.6314 -164.386 GPRESSURE: 531600 56.5971 115.101 -121.232 69.2955 -44.925 -50.7275 -120.844 -14.6693 -131.195 PRESSAVG: 531600 -4.28004 6.65018 -15.7151 6.65023 25.6377 12.8693 -15.715 12.8695 5.6437 GPRESSAVG: 531600 -3.77449 3.32358 -14.4736 9.66025 25.1158 13.7953 -17.0516 13.0646 6.04 TIMING: 531600 CPU: 1573.05, 0.002955/step Wall: 1573.05, 0.002955/step, 3.66781 hours remaining, 205.015625 MB of memory in use. ENERGY: 531600 740.6425 2088.1868 1909.0601 105.9397 -205979.8617 17659.0627 0.0000 0.0000 34065.2232 -149411.7466 297.5001 -183476.9699 -149316.7982 298.2583 -73.6171 -39.8411 557860.1950 9.0004 9.1271 PRESSURE: 531800 -124.357 -48.4385 23.1859 -48.4382 -116.773 -42.617 23.1867 -42.6164 -74.2622 GPRESSURE: 531800 -112.68 -58.4849 65.3427 -15.4253 -84.8895 -36.1892 -60.179 -24.1638 -13.8303 PRESSAVG: 531800 17.2246 4.37394 3.71098 4.37401 15.7312 -29.2808 3.71094 -29.2808 -23.7853 GPRESSAVG: 531800 16.481 6.10112 2.98165 4.1766 16.9736 -27.9602 3.18558 -30.7836 -24.3982 TIMING: 531800 CPU: 1573.64, 0.00294744/step Wall: 1573.64, 0.00294744/step, 3.65827 hours remaining, 205.015625 MB of memory in use. ENERGY: 531800 733.7484 2117.4161 1934.5080 113.1812 -206223.3670 17666.7574 0.0000 0.0000 34330.6983 -149327.0576 299.8185 -183657.7559 -149229.6506 298.9397 -105.1307 -70.4665 558046.4974 3.0568 3.0188 PRESSURE: 532000 -61.6184 -197.152 18.005 -197.154 -217.578 22.6448 18.0049 22.6444 209.131 GPRESSURE: 532000 51.9662 -127.334 91.9775 -170.173 -245.699 3.81531 -86.323 6.91802 232.789 PRESSAVG: 532000 -4.8191 -48.455 -12.9423 -48.455 -81.0659 6.45952 -12.9424 6.4595 44.5434 GPRESSAVG: 532000 -4.02533 -49.6649 -13.8739 -49.4463 -82.3998 2.99453 -13.5977 8.65121 44.7586 TIMING: 532000 CPU: 1574.23, 0.00295361/step Wall: 1574.23, 0.00295361/step, 3.66576 hours remaining, 205.015625 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: 532000 735.2120 2056.9366 1956.1504 103.9118 -206197.9413 17788.3400 0.0000 0.0000 34024.9746 -149532.4158 297.1486 -183557.3904 -149433.7420 298.4138 -23.3552 13.0186 558091.7006 -13.7805 -13.8888 PRESSURE: 532200 131.681 169.136 -140.8 169.136 83.2815 52.7445 -140.802 52.7444 -45.1243 GPRESSURE: 532200 164.179 187.457 -71.2289 263.772 86.8708 3.83544 -206.241 71.6784 23.0748 PRESSAVG: 532200 28.3333 -43.332 13.7441 -43.3321 -38.3446 7.03544 13.7441 7.03548 -4.40272 GPRESSAVG: 532200 27.7391 -41.5418 13.4899 -43.3021 -37.8439 7.59685 16.666 7.68676 -4.22797 TIMING: 532200 CPU: 1574.82, 0.0029655/step Wall: 1574.82, 0.0029655/step, 3.68035 hours remaining, 205.015625 MB of memory in use. ENERGY: 532200 720.8974 2025.4829 1922.3824 115.9524 -206523.5795 17993.4623 0.0000 0.0000 34197.9460 -149547.4559 298.6592 -183745.4020 -149457.1613 297.2083 56.6128 91.3747 556786.9465 -4.8047 -4.7776 LDB: ============= START OF LOAD BALANCING ============== 1578.25 LDB: ============== END OF LOAD BALANCING =============== 1578.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1578.25 LDB: ============= START OF LOAD BALANCING ============== 1578.55 LDB: Largest compute 4848 load 0.030616 is 26.0% of average load 0.117781 LDB: Average compute 0.001730 is 1.5% of average load 0.117781 LDB: TIME 1578.55 LOAD: AVG 0.117781 MAX 0.195124 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.691 MB LDB: TIME 1578.55 LOAD: AVG 0.117781 MAX 0.195124 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.754 MB LDB: TIME 1578.55 LOAD: AVG 0.117781 MAX 0.195124 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.754 MB LDB: ============== END OF LOAD BALANCING =============== 1578.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1578.56 PRESSURE: 532400 -389.532 19.6739 -14.1833 19.6745 -157.922 -35.4233 -14.1848 -35.4261 -209.225 GPRESSURE: 532400 -367.006 121.855 -84.2223 60.587 -183.123 43.9195 -7.86858 18.8592 -115.058 PRESSAVG: 532400 59.4537 43.4983 -4.92109 43.4984 -51.4558 26.915 -4.92105 26.9149 51.6944 GPRESSAVG: 532400 59.0331 43.9128 -3.55344 41.5053 -52.1485 27.2866 -6.48757 26.7512 52.4108 TIMING: 532400 CPU: 1575.43, 0.00300916/step Wall: 1575.43, 0.00300916/step, 3.73437 hours remaining, 204.949219 MB of memory in use. ENERGY: 532400 755.3376 2034.8683 1986.2055 107.8013 -205692.3424 17531.0894 0.0000 0.0000 34039.5050 -149237.5353 297.2755 -183277.0403 -149145.3386 298.4414 -252.2265 -221.7292 557610.1040 19.8974 19.7651 PRESSURE: 532600 -87.7231 -69.8158 -151.164 -69.816 60.6649 26.7028 -151.166 26.7005 189.1 GPRESSURE: 532600 -80.6707 -68.3655 -95.5397 -30.0889 71.6821 45.1862 -112.448 24.6464 275.538 PRESSAVG: 532600 -12.5437 -24.8232 1.80359 -24.8233 -12.3768 61.7828 1.80361 61.7828 29.213 GPRESSAVG: 532600 -11.5664 -25.4772 0.522941 -23.7471 -12.7158 61.9229 2.98301 61.4711 28.7178 TIMING: 532600 CPU: 1576.02, 0.00295686/step Wall: 1576.02, 0.00295686/step, 3.66929 hours remaining, 204.949219 MB of memory in use. ENERGY: 532600 741.5654 2103.1858 1956.0131 124.6052 -205950.9017 17875.1984 0.0000 0.0000 34011.1303 -149139.2035 297.0277 -183150.3338 -149051.9916 298.6684 54.0140 88.8498 556707.5100 1.4308 1.4785 PRESSURE: 532800 -126.408 3.92422 -48.8116 3.924 -5.52024 -211.314 -48.8119 -211.314 -475.393 GPRESSURE: 532800 -70.6023 -93.2767 -7.98996 64.6313 -23.573 -226.694 -76.9874 -136.028 -428.519 PRESSAVG: 532800 46.4451 38.7125 -65.38 38.7125 25.5191 -22.1244 -65.38 -22.1242 -62.3334 GPRESSAVG: 532800 45.5021 39.559 -63.2202 38.9882 26.9993 -21.0726 -67.2987 -24.0601 -63.1278 TIMING: 532800 CPU: 1576.61, 0.00295862/step Wall: 1576.61, 0.00295862/step, 3.67132 hours remaining, 204.949219 MB of memory in use. ENERGY: 532800 757.5328 2156.9467 1932.1833 118.4357 -205839.9592 17475.9681 0.0000 0.0000 34226.8971 -149171.9957 298.9120 -183398.8927 -149082.4876 299.1487 -202.4405 -174.2315 558244.1937 3.2103 3.1245 PRESSURE: 533000 -143.623 -98.3661 21.5533 -98.3662 -305.942 -304.991 21.5534 -304.99 11.7131 GPRESSURE: 533000 -102.73 -86.1809 -5.66606 -2.85554 -299.385 -284.47 25.7234 -344.022 60.771 PRESSAVG: 533000 -49.4996 11.4223 22.9795 11.4223 60.0276 -0.505286 22.9795 -0.505324 -8.9762 GPRESSAVG: 533000 -48.5428 9.27172 21.289 11.7732 59.4706 -2.41413 24.1649 2.41657 -9.17252 TIMING: 533000 CPU: 1577.2, 0.00297528/step Wall: 1577.2, 0.00297528/step, 3.69182 hours remaining, 204.949219 MB of memory in use. ENERGY: 533000 715.4774 2095.5123 1977.6113 110.8434 -206159.1083 17783.7044 0.0000 0.0000 34151.7189 -149324.2407 298.2555 -183475.9595 -149228.3317 298.6459 -145.9507 -113.7812 558002.9894 0.5173 0.5851 PRESSURE: 533200 -34.7746 6.01014 -37.7678 6.00923 -113.869 111.108 -37.7669 111.108 -145.695 GPRESSURE: 533200 -20.8753 25.2162 -85.3923 -51.5068 -80.8066 15.4236 -52.0291 88.8087 -94.9607 PRESSAVG: 533200 34.7251 -31.6638 81.4088 -31.6638 29.4256 -14.908 81.4087 -14.9078 -40.9489 GPRESSAVG: 533200 34.7279 -29.6342 80.7285 -32.2243 30.6002 -14.6056 81.0236 -16.8011 -42.2541 TIMING: 533200 CPU: 1577.8, 0.00296164/step Wall: 1577.8, 0.00296164/step, 3.67474 hours remaining, 204.949219 MB of memory in use. ENERGY: 533200 743.3192 2096.4988 1931.3794 110.1879 -206098.2936 17773.2226 0.0000 0.0000 34254.6725 -149189.0132 299.1546 -183443.6857 -149100.5148 298.8570 -98.1131 -65.5475 557177.8431 7.7340 7.6913 PRESSURE: 533400 157.924 15.713 -125.534 15.7122 -91.2897 -178.121 -125.533 -178.123 224.889 GPRESSURE: 533400 190.569 58.3437 -64.656 -100.531 -109.906 -195.8 -170.487 -183.923 292.177 PRESSAVG: 533400 -64.2144 -51.2548 -79.9604 -51.2549 99.5946 -38.6767 -79.9605 -38.6769 -4.93769 GPRESSAVG: 533400 -64.5726 -50.2528 -78.8018 -51.3719 99.0045 -37.2704 -78.5019 -38.4375 -3.64296 TIMING: 533400 CPU: 1578.39, 0.00298144/step Wall: 1578.39, 0.00298144/step, 3.69914 hours remaining, 204.949219 MB of memory in use. ENERGY: 533400 731.0358 2070.6407 1951.6976 119.4281 -206331.4227 17871.8166 0.0000 0.0000 34287.2832 -149299.5207 299.4394 -183586.8039 -149211.7304 299.2523 97.1743 124.2802 556285.3797 10.1475 10.2630 PRESSURE: 533600 97.5853 -67.0438 64.8898 -67.0445 20.2514 166.799 64.8911 166.799 183.816 GPRESSURE: 533600 157.853 -54.3659 14.3957 -49.9653 41.2911 188.242 50.249 155.657 200.547 PRESSAVG: 533600 -21.903 22.6435 -8.2073 22.6434 -2.79101 -52.302 -8.20729 -52.3021 32.9267 GPRESSAVG: 533600 -22.2985 20.4338 -8.13784 23.0951 -2.95891 -53.13 -10.0323 -51.9044 32.7025 TIMING: 533600 CPU: 1578.99, 0.0029991/step Wall: 1578.99, 0.0029991/step, 3.72088 hours remaining, 204.949219 MB of memory in use. ENERGY: 533600 774.6106 2115.4794 1924.9760 98.2716 -206537.7857 18157.7149 0.0000 0.0000 34135.5565 -149331.1767 298.1143 -183466.7333 -149235.2867 298.7520 100.5508 133.2304 556952.9874 2.7442 2.4817 PRESSURE: 533800 71.0657 53.7388 75.8289 53.7382 -107.612 -78.8626 75.8288 -78.862 174.661 GPRESSURE: 533800 62.9858 75.7409 -35.7344 33.1548 -105.61 -158.48 122.908 -20.2012 268.969 PRESSAVG: 533800 8.22263 39.9549 27.6267 39.955 -59.2556 44.512 27.6267 44.512 81.4214 GPRESSAVG: 533800 7.75751 39.2464 29.6322 40.3458 -59.1609 45.1102 27.2422 45.0768 80.9428 TIMING: 533800 CPU: 1579.6, 0.00301/step Wall: 1579.6, 0.00301/step, 3.73424 hours remaining, 204.949219 MB of memory in use. ENERGY: 533800 736.1610 2137.3207 1924.5826 113.1995 -206315.1222 17794.3784 0.0000 0.0000 34383.3507 -149226.1293 300.2784 -183609.4799 -149135.9187 299.1915 46.0382 75.4483 557986.3869 10.1295 9.8465 PRESSURE: 534000 -92.194 -4.29544 161.933 -4.29377 -346.884 53.3761 161.931 53.3757 -337.551 GPRESSURE: 534000 -30.0032 -66.2438 104.606 79.8636 -352.626 10.3406 162.868 92.5734 -293.501 PRESSAVG: 534000 42.1302 -14.0872 38.7972 -14.0872 -49.3021 -12.9816 38.7972 -12.9816 -25.669 GPRESSAVG: 534000 42.237 -15.041 35.9954 -13.4944 -50.0128 -10.6321 38.6354 -14.6576 -24.8431 TIMING: 534000 CPU: 1580.19, 0.00298521/step Wall: 1580.19, 0.00298521/step, 3.70332 hours remaining, 204.949219 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: 534000 775.2191 2074.6879 1948.0986 111.0525 -206127.6367 17473.4678 0.0000 0.0000 34505.3710 -149239.7398 301.3440 -183745.1107 -149150.8111 299.6868 -258.8763 -225.3768 557699.9252 -10.9470 -10.8730 PRESSURE: 534200 65.9179 117.43 105.509 117.431 -49.4788 77.8518 105.508 77.8499 19.5802 GPRESSURE: 534200 73.3391 43.9554 83.2253 110.756 -24.7913 -9.2833 121.982 27.161 86.7038 PRESSAVG: 534200 73.8039 15.4603 19.9659 15.4604 -73.5382 -36.3924 19.966 -36.3922 10.7334 GPRESSAVG: 534200 73.7459 18.8205 18.7555 14.4334 -73.0341 -39.4333 22.0163 -36.4114 10.3131 TIMING: 534200 CPU: 1580.79, 0.00297792/step Wall: 1580.79, 0.00297792/step, 3.69411 hours remaining, 204.949219 MB of memory in use. ENERGY: 534200 718.4323 2115.1500 1950.2455 125.2624 -206280.1639 17867.5395 0.0000 0.0000 34354.3213 -149149.2128 300.0248 -183503.5340 -149059.3077 299.4428 12.0064 45.0839 556994.1207 3.6664 3.6750 PRESSURE: 534400 61.3287 112.967 68.7796 112.968 -193.444 -159.615 68.779 -159.615 75.175 GPRESSURE: 534400 81.3127 39.0929 118.462 103.517 -162.279 -140.822 -3.58906 -112.502 113.614 PRESSAVG: 534400 25.6082 -33.98 -20.3166 -33.9799 2.63105 1.22469 -20.3166 1.2247 -13.3477 GPRESSAVG: 534400 24.7768 -36.881 -19.4624 -33.8386 2.9523 0.353055 -21.0836 1.34192 -12.7875 TIMING: 534400 CPU: 1581.38, 0.00296646/step Wall: 1581.38, 0.00296646/step, 3.67973 hours remaining, 204.949219 MB of memory in use. ENERGY: 534400 785.2410 2099.0121 1954.2578 131.4784 -206419.1876 18000.3582 0.0000 0.0000 34164.8931 -149283.9470 298.3705 -183448.8400 -149193.7201 299.5521 -18.9801 10.8828 556467.2576 4.9639 4.9805 PRESSURE: 534600 -256.552 -59.0304 -70.8715 -59.0301 -199.323 -194.234 -70.8716 -194.234 -167.725 GPRESSURE: 534600 -245.456 -34.3551 -120.077 61.0601 -163.224 -184.566 -68.9888 -100.934 -138.352 PRESSAVG: 534600 -12.4026 -29.0594 -9.50905 -29.0595 -18.2246 -18.9956 -9.50909 -18.9955 30.5412 GPRESSAVG: 534600 -11.8956 -28.1534 -8.82782 -26.8894 -18.8247 -16.5771 -10.1799 -18.5059 29.4334 TIMING: 534600 CPU: 1581.97, 0.00295623/step Wall: 1581.97, 0.00295623/step, 3.66688 hours remaining, 204.949219 MB of memory in use. ENERGY: 534600 772.3018 2110.5900 1942.0213 110.2540 -205991.8188 17467.6264 0.0000 0.0000 34207.4375 -149381.5879 298.7421 -183589.0254 -149284.4632 299.2557 -207.8666 -182.3441 558363.4294 -0.0287 -0.4290 PRESSURE: 534800 -103.596 213.808 100.447 213.807 -146.892 105.306 100.447 105.304 43.8655 GPRESSURE: 534800 -22.7708 143.426 21.165 272.057 -94.213 73.2737 145.513 91.168 -3.58412 PRESSAVG: 534800 -50.4527 2.75028 -7.92533 2.75032 -9.40214 20.9045 -7.9253 20.9045 82.2224 GPRESSAVG: 534800 -50.5904 2.91039 -6.86928 1.37676 -8.92218 20.2204 -9.43256 19.857 81.5512 TIMING: 534800 CPU: 1582.56, 0.00296109/step Wall: 1582.56, 0.00296109/step, 3.67274 hours remaining, 204.949219 MB of memory in use. ENERGY: 534800 762.5867 2089.7561 1941.5348 118.6487 -206198.9048 17795.0627 0.0000 0.0000 34297.2439 -149194.0720 299.5264 -183491.3159 -149096.1975 299.0585 -68.8739 -40.1893 557235.6062 7.4558 7.3462 PRESSURE: 535000 -71.3793 -144.912 -84.1571 -144.912 -153.73 57.8476 -84.157 57.848 -195.351 GPRESSURE: 535000 -53.1361 -130.79 14.5664 -119.081 -68.3568 89.7496 -96.3484 107.03 -196.401 PRESSAVG: 535000 -15.4267 -16.7831 -27.6866 -16.7832 -44.7221 0.149716 -27.6866 0.149725 55.6742 GPRESSAVG: 535000 -16.237 -18.5398 -29.4322 -14.8631 -45.5666 0.475346 -25.71 2.94797 57.0108 TIMING: 535000 CPU: 1583.16, 0.00296997/step Wall: 1583.16, 0.00296997/step, 3.68359 hours remaining, 204.949219 MB of memory in use. ENERGY: 535000 784.4579 2090.1519 1936.2579 124.5470 -206113.9421 17707.1262 0.0000 0.0000 34388.9292 -149082.4720 300.3271 -183471.4012 -148985.7549 299.7549 -140.1535 -105.9647 558492.2467 -1.4915 -1.5976 PRESSURE: 535200 -162.736 200.871 -2.25566 200.871 -293.683 67.9783 -2.25558 67.9779 -86.5623 GPRESSURE: 535200 -180.095 141.017 -46.8669 218.248 -268.184 137.362 -60.3268 60.1424 -5.08143 PRESSAVG: 535200 -53.6366 -1.08079 -40.7896 -1.08073 -3.20187 -19.3489 -40.7897 -19.349 50.5454 GPRESSAVG: 535200 -53.0651 -1.53807 -37.4624 -2.32941 -3.78169 -18.2238 -41.9058 -22.7412 50.6163 TIMING: 535200 CPU: 1583.75, 0.0029485/step Wall: 1583.75, 0.0029485/step, 3.6568 hours remaining, 204.949219 MB of memory in use. ENERGY: 535200 744.5257 2083.0569 1983.6279 109.0528 -205852.7731 17521.5704 0.0000 0.0000 34413.0515 -148997.8879 300.5377 -183410.9394 -148893.5333 299.7846 -180.9940 -151.1203 558537.8096 -2.0977 -2.0768 PRESSURE: 535400 -77.5177 -22.3815 63.4127 -22.3814 -108.972 -29.5509 63.4117 -29.5514 -141.309 GPRESSURE: 535400 -22.0603 2.96983 0.76773 32.0505 -85.6692 6.6206 127.412 -148.823 -127.01 PRESSAVG: 535400 -11.8557 16.7047 10.4415 16.7048 8.65452 51.3407 10.4415 51.3406 32.8862 GPRESSAVG: 535400 -11.324 19.1386 9.08532 13.4293 8.85644 48.8675 9.91293 53.1205 32.6443 TIMING: 535400 CPU: 1584.34, 0.00295856/step Wall: 1584.34, 0.00295856/step, 3.66911 hours remaining, 204.949219 MB of memory in use. ENERGY: 535400 756.3586 2078.6905 1969.5068 114.4000 -205891.7436 17674.6529 0.0000 0.0000 34370.5280 -148927.6069 300.1664 -183298.1349 -148826.5740 299.9975 -109.2665 -78.2464 559207.9141 9.8950 10.0589 PRESSURE: 535600 17.1553 -37.8578 -125.546 -37.8574 -21.0045 -2.17222 -125.547 -2.17101 20.409 GPRESSURE: 535600 120.342 -16.7822 -206.817 -38.6641 -42.4783 -37.7829 -72.2245 88.6802 37.8932 PRESSAVG: 535600 1.38193 12.1858 -1.31662 12.1858 -49.4426 -6.5221 -1.31654 -6.52207 18.9034 GPRESSAVG: 535600 2.42351 10.804 -1.81539 15.6212 -49.4867 -6.25062 -0.903968 -8.44081 18.2125 TIMING: 535600 CPU: 1584.94, 0.0029925/step Wall: 1584.94, 0.0029925/step, 3.71103 hours remaining, 204.949219 MB of memory in use. ENERGY: 535600 759.6701 2190.5033 1947.9176 112.3638 -206024.2577 17895.2444 0.0000 0.0000 34229.2971 -148889.2613 298.9330 -183118.5585 -148801.9765 299.8661 5.5199 38.5855 558647.6892 -9.7191 -9.6169 PRESSURE: 535800 -132.269 -53.5617 187.249 -53.562 6.77709 -35.957 187.249 -35.96 -192.365 GPRESSURE: 535800 -112.591 -4.26553 156.256 -23.4829 6.06858 -17.6749 190.044 -106.058 -114.794 PRESSAVG: 535800 -8.00783 0.857905 -22.3621 0.857881 4.14177 29.4303 -22.3622 29.4303 -14.7008 GPRESSAVG: 535800 -8.27172 0.936382 -20.5714 -0.31649 4.77398 31.884 -21.7881 30.9574 -15.3674 TIMING: 535800 CPU: 1585.53, 0.00298075/step Wall: 1585.53, 0.00298075/step, 3.6963 hours remaining, 204.949219 MB of memory in use. ENERGY: 535800 769.9465 2105.3078 1959.2632 121.9583 -205883.1013 17676.9776 0.0000 0.0000 34258.8942 -148990.7536 299.1914 -183249.6478 -148889.8806 300.0011 -105.9523 -73.7721 557959.9491 -6.1889 -6.2884 PRESSURE: 536000 200.893 110.622 28.684 110.623 -275.313 152.077 28.6847 152.077 -19.649 GPRESSURE: 536000 147.008 95.9494 13.4067 168.787 -193.847 108.585 -40.9033 204.737 48.6316 PRESSAVG: 536000 -6.24963 28.3442 120.951 28.3442 16.2577 -19.8047 120.951 -19.8047 7.14714 GPRESSAVG: 536000 -7.70434 27.6462 119.842 29.5221 16.6302 -20.62 119.343 -18.9432 8.54356 TIMING: 536000 CPU: 1586.13, 0.00298394/step Wall: 1586.13, 0.00298394/step, 3.70009 hours remaining, 204.949219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 536000 746.7732 2137.5743 1945.4553 102.7132 -206228.3234 17756.4279 0.0000 0.0000 34386.9955 -149152.3839 300.3102 -183539.3794 -149058.5707 299.3974 -31.3563 0.5975 556983.0741 5.7184 5.8232 PRESSURE: 536200 197.854 108.475 24.8088 108.475 23.8549 103.099 24.8088 103.101 195.955 GPRESSURE: 536200 235.976 145.166 -31.2645 217.539 -27.9147 41.1816 42.6351 59.9212 313.647 PRESSAVG: 536200 56.6997 -24.0465 28.5427 -24.0465 -26.5541 32.6986 28.5427 32.6986 5.9579 GPRESSAVG: 536200 56.8796 -21.2136 27.8808 -25.1504 -27.3027 33.2904 30.0641 30.9161 6.12871 TIMING: 536200 CPU: 1586.73, 0.00297714/step Wall: 1586.73, 0.00297714/step, 3.69149 hours remaining, 204.949219 MB of memory in use. ENERGY: 536200 765.2119 2039.7553 1941.9067 117.5943 -206076.4859 17692.2572 0.0000 0.0000 34309.0124 -149210.7481 299.6291 -183519.7605 -149115.6718 299.9943 139.2212 173.9027 555869.8240 12.0345 11.9019 LDB: ============= START OF LOAD BALANCING ============== 1590.15 LDB: ============== END OF LOAD BALANCING =============== 1590.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1590.15 LDB: ============= START OF LOAD BALANCING ============== 1590.45 LDB: Largest compute 4820 load 0.031940 is 27.1% of average load 0.117769 LDB: Average compute 0.001721 is 1.5% of average load 0.117769 LDB: TIME 1590.46 LOAD: AVG 0.117769 MAX 0.197546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.266 MB LDB: TIME 1590.46 LOAD: AVG 0.117769 MAX 0.197546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.266 MB LDB: TIME 1590.46 LOAD: AVG 0.117769 MAX 0.197546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1590.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1590.46 PRESSURE: 536400 -80.224 -57.4556 -78.9541 -57.455 -2.93272 109.479 -78.9548 109.479 53.9639 GPRESSURE: 536400 -0.828062 -88.7904 -57.9498 -106.653 45.078 99.3052 -79.7213 140.854 34.5572 PRESSAVG: 536400 36.9822 -16.2407 -44.3347 -16.2407 -33.9688 -15.9058 -44.3347 -15.9059 1.02897 GPRESSAVG: 536400 38.1575 -15.9065 -48.0185 -17.9374 -34.1982 -15.9271 -44.2088 -16.2065 -0.357152 TIMING: 536400 CPU: 1587.33, 0.0030366/step Wall: 1587.33, 0.0030366/step, 3.76505 hours remaining, 205.976562 MB of memory in use. ENERGY: 536400 756.9595 2146.7795 1945.1585 120.2082 -206163.3556 17702.5295 0.0000 0.0000 34382.7196 -149109.0007 300.2728 -183491.7203 -149011.2268 299.3726 -9.7309 26.2691 556832.0657 1.3474 1.2007 PRESSURE: 536600 -146.419 -60.2143 -72.7775 -60.214 -26.983 -55.2419 -72.7768 -55.2419 -104.548 GPRESSURE: 536600 -115.351 -35.9147 -41.8832 36.1768 -4.33305 0.509334 -82.5194 -50.2952 -70.3342 PRESSAVG: 536600 58.2809 -31.7555 -15.0527 -31.7555 -2.80645 63.3586 -15.0527 63.3585 1.64739 GPRESSAVG: 536600 57.2369 -32.3881 -11.9497 -30.1733 -3.16603 63.8445 -14.1758 63.8334 2.62141 TIMING: 536600 CPU: 1587.93, 0.00298791/step Wall: 1587.93, 0.00298791/step, 3.70451 hours remaining, 205.976562 MB of memory in use. ENERGY: 536600 764.6813 2086.8564 1938.1396 118.4825 -206278.0644 17852.5060 0.0000 0.0000 34323.0727 -149194.3258 299.7519 -183517.3986 -149098.6242 299.4699 -92.6500 -63.3395 557289.5484 19.0406 18.8974 PRESSURE: 536800 84.7406 -33.1944 56.2244 -33.1935 -53.7959 18.0878 56.2243 18.0878 -483.316 GPRESSURE: 536800 121.767 -18.4688 38.9866 -42.4785 -48.7572 -42.5681 39.9634 166.733 -422.561 PRESSAVG: 536800 8.28935 -76.5664 -7.04765 -76.5663 37.1171 -27.9997 -7.04766 -27.9996 -74.1319 GPRESSAVG: 536800 8.35004 -76.3711 -6.03118 -77.5513 36.7075 -29.8692 -11.5345 -27.0844 -73.8907 TIMING: 536800 CPU: 1588.53, 0.00297521/step Wall: 1588.53, 0.00297521/step, 3.6886 hours remaining, 205.976562 MB of memory in use. ENERGY: 536800 756.6546 2174.4573 1915.1036 114.1640 -206233.0739 17726.2477 0.0000 0.0000 34470.9038 -149075.5429 301.0430 -183546.4467 -148974.1167 299.4428 -150.7906 -116.5170 557577.2266 -9.5751 -9.6110 PRESSURE: 537000 -75.4448 -208.895 -55.6899 -208.894 165.704 -0.941817 -55.6908 -0.942675 -127.483 GPRESSURE: 537000 7.82285 -257.389 -124.556 -156.054 216.193 -7.81874 -8.21261 11.3995 -166.39 PRESSAVG: 537000 21.2156 -68.3516 -13.4821 -68.3516 0.748092 0.396234 -13.4821 0.396372 -36.1842 GPRESSAVG: 537000 22.858 -68.4758 -15.4406 -67.3544 -0.522958 0.554984 -10.446 0.65259 -36.8924 TIMING: 537000 CPU: 1589.12, 0.00297089/step Wall: 1589.12, 0.00297089/step, 3.68308 hours remaining, 205.976562 MB of memory in use. ENERGY: 537000 771.3685 2152.3890 1936.3958 111.4961 -206365.9338 17925.4271 0.0000 0.0000 34531.9327 -148936.9247 301.5760 -183468.8573 -148846.9912 300.0666 -12.4081 19.2086 557087.6059 -4.7402 -4.8525 PRESSURE: 537200 -267.972 -34.2729 92.4569 -34.2733 -178.187 131.066 92.4563 131.064 54.6846 GPRESSURE: 537200 -192.288 -7.73667 121.276 -76.7468 -186.911 207.33 96.0082 123.83 72.1782 PRESSAVG: 537200 -26.818 -38.294 -76.0528 -38.2942 40.0509 44.3541 -76.0529 44.354 22.2831 GPRESSAVG: 537200 -28.1151 -38.9187 -74.9648 -37.5337 41.5223 46.9786 -75.4814 42.029 22.69 TIMING: 537200 CPU: 1589.72, 0.00297341/step Wall: 1589.72, 0.00297341/step, 3.68604 hours remaining, 205.976562 MB of memory in use. ENERGY: 537200 800.1515 2119.6486 1940.5259 119.7836 -206087.1085 17605.3187 0.0000 0.0000 34365.9324 -149135.7477 300.1262 -183501.6800 -149038.1009 299.9739 -130.4916 -102.3401 557439.9634 11.8387 12.0324 PRESSURE: 537400 168.625 -70.4242 193.567 -70.4232 -89.2452 -36.2048 193.567 -36.2038 112.582 GPRESSURE: 537400 171.781 -99.6278 139.188 -98.9346 -37.1759 7.60316 218.455 -71.094 144.467 PRESSAVG: 537400 3.05033 8.78793 38.2211 8.78793 -48.7784 41.0401 38.2212 41.0402 -0.13852 GPRESSAVG: 537400 3.50225 9.47506 38.2667 9.25838 -48.7361 38.1734 36.0338 42.6715 -0.809216 TIMING: 537400 CPU: 1590.31, 0.00297764/step Wall: 1590.31, 0.00297764/step, 3.69112 hours remaining, 205.976562 MB of memory in use. ENERGY: 537400 768.2759 2152.0304 1933.8929 107.0437 -206343.6465 17931.6995 0.0000 0.0000 34284.6222 -149166.0820 299.4161 -183450.7042 -149068.4005 299.0324 63.9873 93.0241 558088.2714 -15.2889 -15.3477 PRESSURE: 537600 -179.771 -122.855 -40.0307 -122.855 -129.001 -11.6416 -40.0305 -11.6422 -297.204 GPRESSURE: 537600 -194.912 -97.1303 -137.18 -128.907 -67.4454 29.268 -53.9565 -14.3504 -242.909 PRESSAVG: 537600 41.6262 -59.6727 -0.186575 -59.6728 7.74012 9.97305 -0.186584 9.97304 -54.4448 GPRESSAVG: 537600 41.3174 -60.1109 -0.405916 -61.6318 6.75951 9.21632 0.85811 9.95553 -53.1858 TIMING: 537600 CPU: 1590.91, 0.00297805/step Wall: 1590.91, 0.00297805/step, 3.69146 hours remaining, 205.976562 MB of memory in use. ENERGY: 537600 770.9539 2082.8675 1920.3174 107.8511 -206050.2373 17666.7664 0.0000 0.0000 34229.2779 -149272.2032 298.9328 -183501.4811 -149173.2954 299.0758 -201.9921 -168.4220 558394.8567 -1.6928 -1.7030 PRESSURE: 537800 -70.8193 -52.7991 4.6295 -52.799 -83.7807 -24.9132 4.62839 -24.9145 -272.252 GPRESSURE: 537800 -27.0412 -73.1456 8.69475 -43.8438 -102.226 -11.6176 -14.2151 -64.3961 -198.777 PRESSAVG: 537800 34.8879 -36.8897 7.8135 -36.8897 7.53467 -10.9598 7.81343 -10.9598 -0.86407 GPRESSAVG: 537800 34.9903 -36.1665 8.82511 -36.5069 7.9112 -10.3337 8.03975 -10.9403 -1.70588 TIMING: 537800 CPU: 1591.5, 0.00298671/step Wall: 1591.5, 0.00298671/step, 3.70202 hours remaining, 205.976562 MB of memory in use. ENERGY: 537800 720.2270 2118.3709 1936.2232 107.8368 -205931.0981 17394.1918 0.0000 0.0000 34357.3182 -149296.9302 300.0510 -183654.2484 -149203.4302 299.2969 -142.2839 -109.3479 557059.7968 13.8528 13.7319 PRESSURE: 538000 -2.61732 182.458 53.9165 182.459 42.8549 -14.9436 53.9166 -14.943 -58.2938 GPRESSURE: 538000 13.5194 342.52 -7.28884 136.911 94.5156 -39.4052 116.539 19.4687 -23.4642 PRESSAVG: 538000 27.2026 -6.69719 0.924933 -6.69719 -31.3004 -23.4776 0.924909 -23.4776 25.4662 GPRESSAVG: 538000 26.8692 -6.49591 -2.28148 -7.15422 -31.1628 -23.1191 1.67798 -23.4503 25.4146 TIMING: 538000 CPU: 1592.1, 0.00295538/step Wall: 1592.1, 0.00295538/step, 3.66303 hours remaining, 205.976562 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: 538000 741.2653 2136.2028 1930.9933 113.3607 -206454.7351 17942.2680 0.0000 0.0000 34265.1127 -149325.5323 299.2458 -183590.6450 -149226.6059 299.0014 -6.0187 28.1903 556613.8725 7.1228 7.0403 PRESSURE: 538200 -201.215 38.8061 105.122 38.8047 71.665 -141.857 105.122 -141.855 -135.862 GPRESSURE: 538200 -186.783 8.68637 87.1249 81.7629 105.886 -157.336 108.803 -186.704 -81.5331 PRESSAVG: 538200 60.2086 -16.9947 -13.7696 -16.9947 -12.8571 -46.7316 -13.7696 -46.7317 -32.1572 GPRESSAVG: 538200 61.3899 -19.4894 -12.7061 -15.837 -12.8178 -49.5044 -14.9754 -45.4798 -33.6568 TIMING: 538200 CPU: 1592.69, 0.00295234/step Wall: 1592.69, 0.00295234/step, 3.6591 hours remaining, 205.976562 MB of memory in use. ENERGY: 538200 766.8576 2137.7286 1940.2121 118.6749 -206062.4567 17732.5923 0.0000 0.0000 34257.9518 -149108.4393 299.1832 -183366.3911 -149017.8922 299.7884 -88.4707 -54.1436 556843.1390 5.0648 4.9718 PRESSURE: 538400 58.4572 -11.7064 -62.4656 -11.7067 -162.105 26.0111 -62.4652 26.0127 228.534 GPRESSURE: 538400 73.8644 -42.2603 -18.1129 -14.7395 -149.616 179.404 -35.8732 -20.3499 291.065 PRESSAVG: 538400 22.3872 48.8484 31.2937 48.8484 -5.80949 -31.3554 31.2938 -31.3554 -40.2622 GPRESSAVG: 538400 21.2201 49.5313 32.0399 50.0711 -5.56925 -28.8435 30.3847 -33.4943 -39.3727 TIMING: 538400 CPU: 1593.28, 0.00295269/step Wall: 1593.28, 0.00295269/step, 3.65936 hours remaining, 205.976562 MB of memory in use. ENERGY: 538400 740.7281 2084.6167 1922.4228 125.2158 -206069.2023 17900.1113 0.0000 0.0000 34241.7960 -149054.3116 299.0421 -183296.1075 -148957.9310 299.4136 41.6285 71.7709 557782.2393 -7.8948 -7.9073 PRESSURE: 538600 -38.5342 -35.4694 -111.588 -35.4694 181.465 72.4638 -111.587 72.4648 73.2251 GPRESSURE: 538600 8.52103 -47.334 -162.944 -3.87553 197.248 87.2453 -53.5085 40.1772 109.034 PRESSAVG: 538600 6.68867 27.3591 5.6987 27.3591 35.2536 7.14594 5.69873 7.14601 -42.4301 GPRESSAVG: 538600 8.44739 29.1316 3.56462 24.0714 34.2078 8.25688 6.98635 7.62732 -42.6783 TIMING: 538600 CPU: 1593.87, 0.00296718/step Wall: 1593.87, 0.00296718/step, 3.67716 hours remaining, 205.976562 MB of memory in use. ENERGY: 538600 763.8102 2063.5566 1956.4958 132.1605 -206028.9451 17885.7660 0.0000 0.0000 34059.5001 -149167.6560 297.4501 -183227.1561 -149069.4369 298.9195 72.0518 104.9341 557318.0529 -0.1626 -0.0077 PRESSURE: 538800 71.5213 -97.9547 259.755 -97.9556 26.1168 -67.8109 259.754 -67.81 10.0023 GPRESSURE: 538800 58.6937 -4.05446 290.033 -121.701 132.26 -88.4001 184.941 -64.9337 16.8089 PRESSAVG: 538800 58.5486 -14.0225 20.5232 -14.0225 -45.5594 -66.1533 20.5232 -66.1532 3.90966 GPRESSAVG: 538800 56.4529 -13.4221 20.025 -12.8081 -43.6519 -67.0571 21.4603 -67.3215 3.27348 TIMING: 538800 CPU: 1594.47, 0.00298445/step Wall: 1594.47, 0.00298445/step, 3.6984 hours remaining, 205.976562 MB of memory in use. ENERGY: 538800 751.8259 2069.8898 1945.7332 126.0118 -206285.0555 17921.1384 0.0000 0.0000 34268.0384 -149202.4179 299.2713 -183470.4563 -149104.2700 299.1507 35.8802 69.2543 557220.3198 5.6329 5.3582 PRESSURE: 539000 -78.8857 -97.4365 -70.7934 -97.4367 -40.2191 -112.52 -70.7924 -112.52 -99.4776 GPRESSURE: 539000 1.67288 -58.3761 -2.43108 -128.671 -11.4123 -161.797 -189.766 -32.1661 -114.533 PRESSAVG: 539000 20.4356 -28.0536 -60.6623 -28.0535 -34.4948 -5.7559 -60.6623 -5.75599 -3.13274 GPRESSAVG: 539000 22.3001 -29.8291 -61.3542 -26.1769 -37.1265 -4.55096 -58.5594 -4.88152 -2.57053 TIMING: 539000 CPU: 1595.06, 0.00295104/step Wall: 1595.06, 0.00295104/step, 3.65683 hours remaining, 205.976562 MB of memory in use. ENERGY: 539000 733.3602 2121.6707 1963.7816 121.9724 -206129.8761 17744.3227 0.0000 0.0000 34220.2271 -149224.5414 298.8538 -183444.7685 -149130.3575 299.8199 -72.8608 -41.4242 557519.8155 -5.7307 -5.7990 PRESSURE: 539200 -6.65163 130.423 16.5721 130.424 51.9062 101.239 16.572 101.236 -231.701 GPRESSURE: 539200 -18.2614 33.8215 -18.6452 99.8944 138.46 93.6322 13.04 120.353 -215.844 PRESSAVG: 539200 35.2399 21.8204 -22.0166 21.8205 -15.2657 -0.650757 -22.0166 -0.650776 15.3108 GPRESSAVG: 539200 34.4958 23.801 -18.3753 18.5761 -15.4467 -2.82958 -23.9449 0.316218 16.1473 TIMING: 539200 CPU: 1595.65, 0.00296698/step Wall: 1595.65, 0.00296698/step, 3.67641 hours remaining, 205.976562 MB of memory in use. ENERGY: 539200 754.9102 2094.0932 1964.6816 105.4089 -205972.8623 17814.3700 0.0000 0.0000 34137.3521 -149102.0463 298.1300 -183239.3984 -149007.9128 299.5683 -62.1490 -31.8820 558831.3096 11.7617 11.7321 PRESSURE: 539400 -135.147 -241.411 16.6831 -241.411 64.2988 55.2141 16.6825 55.2141 -183.892 GPRESSURE: 539400 -79.734 -145.208 -31.4986 -241.365 79.3654 107.009 34.9642 105.763 -168.059 PRESSAVG: 539400 123.72 6.68321 -15.9967 6.68323 -25.9722 19.8211 -15.9967 19.8211 -40.2098 GPRESSAVG: 539400 123.592 4.70268 -16.2299 10.1287 -25.168 19.7959 -15.4522 20.537 -40.9489 TIMING: 539400 CPU: 1596.25, 0.00297458/step Wall: 1596.25, 0.00297458/step, 3.68567 hours remaining, 205.976562 MB of memory in use. ENERGY: 539400 777.7270 2096.6112 1931.5597 109.1589 -205772.9941 17619.4731 0.0000 0.0000 34300.6323 -148937.8318 299.5560 -183238.4641 -148837.8371 299.5926 -84.9133 -56.1424 558091.6973 19.1794 19.1585 PRESSURE: 539600 60.1123 -6.36975 265.459 -6.36987 2.80678 -88.1565 265.46 -88.1581 76.225 GPRESSURE: 539600 83.7865 5.67672 387.809 23.0816 4.75249 -168.892 213.243 -57.2674 137.926 PRESSAVG: 539600 56.6958 50.4524 23.1407 50.4524 -26.5004 -59.4968 23.1406 -59.4968 2.82589 GPRESSAVG: 539600 55.1983 51.7203 23.1436 50.0649 -26.5146 -57.8502 21.4445 -61.96 4.26656 TIMING: 539600 CPU: 1596.84, 0.00299458/step Wall: 1596.84, 0.00299458/step, 3.71028 hours remaining, 205.976562 MB of memory in use. ENERGY: 539600 755.8907 2139.0300 1920.0721 123.0071 -205989.5375 17993.0075 0.0000 0.0000 33941.6138 -149116.9163 296.4206 -183058.5301 -149029.5930 299.4149 46.3814 75.4882 558795.7579 11.0071 10.9834 PRESSURE: 539800 -162.256 48.6205 -26.6018 48.6206 -74.9324 76.793 -26.6017 76.7921 -155.871 GPRESSURE: 539800 -173.99 34.1336 27.5323 -15.2223 -39.2524 60.4977 -19.3746 109.012 -71.5383 PRESSAVG: 539800 37.055 -12.8567 60.5179 -12.8568 -20.5108 -28.3882 60.5179 -28.3881 -5.76486 GPRESSAVG: 539800 38.1995 -14.4682 60.0358 -13.0081 -20.8274 -28.0722 60.9265 -30.1008 -6.47805 TIMING: 539800 CPU: 1597.45, 0.00301663/step Wall: 1597.45, 0.00301663/step, 3.73744 hours remaining, 205.976562 MB of memory in use. ENERGY: 539800 750.2648 2140.4499 1931.3601 110.6969 -206155.7442 17668.9412 0.0000 0.0000 34498.8173 -149055.2140 301.2868 -183554.0314 -148961.0052 300.1068 -131.0199 -94.9268 559123.4719 3.5931 3.6314 PRESSURE: 540000 -237.304 -16.823 -79.7624 -16.8232 -153.983 45.3026 -79.7618 45.3015 -218.748 GPRESSURE: 540000 -173.036 -75.2622 -96.0466 33.9514 -97.2925 56.7781 -72.2259 -33.4524 -245.366 PRESSAVG: 540000 35.7977 -7.43569 17.1948 -7.43582 1.48251 25.6242 17.1948 25.6242 -46.7168 GPRESSAVG: 540000 35.7534 -6.77491 15.9535 -8.64559 2.26327 25.4004 19.2722 29.2511 -47.4454 TIMING: 540000 CPU: 1598.05, 0.00299847/step Wall: 1598.05, 0.00299847/step, 3.71477 hours remaining, 205.976562 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: 540000 752.7035 2110.2834 1929.0855 103.3872 -205834.4015 17465.0615 0.0000 0.0000 34386.7000 -149087.1805 300.3076 -183473.8805 -148987.7530 299.5074 -203.3449 -171.8981 559037.8781 -3.1455 -3.1429 PRESSURE: 540200 166.555 -91.9668 -129.407 -91.9659 7.49593 68.7094 -129.406 68.7077 -36.392 GPRESSURE: 540200 130.027 -84.2889 -26.7495 -67.425 29.9537 146.24 -156.842 3.46162 62.0011 PRESSAVG: 540200 7.10227 -32.728 -8.11615 -32.728 -61.6087 -10.6112 -8.11614 -10.6112 35.3379 GPRESSAVG: 540200 7.26324 -31.0532 -5.58954 -32.3748 -61.6103 -13.2835 -11.2034 -11.0127 35.139 TIMING: 540200 CPU: 1598.64, 0.00296873/step Wall: 1598.64, 0.00296873/step, 3.67777 hours remaining, 205.976562 MB of memory in use. ENERGY: 540200 739.0626 2039.1726 1938.4338 123.3045 -206004.1032 17819.5369 0.0000 0.0000 34197.0588 -149147.5341 298.6514 -183344.5929 -149053.3698 299.6358 45.8865 73.9939 558101.9979 -6.3895 -6.4027 LDB: ============= START OF LOAD BALANCING ============== 1602.07 LDB: ============== END OF LOAD BALANCING =============== 1602.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1602.07 LDB: ============= START OF LOAD BALANCING ============== 1602.37 LDB: Largest compute 4820 load 0.032090 is 27.3% of average load 0.117757 LDB: Average compute 0.001718 is 1.5% of average load 0.117757 LDB: TIME 1602.37 LOAD: AVG 0.117757 MAX 0.194607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.039 MB LDB: TIME 1602.37 LOAD: AVG 0.117757 MAX 0.194607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.043 MB LDB: TIME 1602.37 LOAD: AVG 0.117757 MAX 0.194607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1602.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1602.38 PRESSURE: 540400 -232.268 124.56 91.9512 124.56 26.0025 -123.665 91.9511 -123.664 -308.995 GPRESSURE: 540400 -145.335 117.057 129.378 74.7581 48.428 -98.9435 112.884 -1.87695 -330.491 PRESSAVG: 540400 -15.6843 -20.0411 -14.2862 -20.0412 17.858 -38.6903 -14.2861 -38.6903 4.82981 GPRESSAVG: 540400 -14.9184 -20.9618 -15.9538 -20.2286 17.82 -36.7445 -11.979 -38.9852 3.8779 TIMING: 540400 CPU: 1599.25, 0.00302978/step Wall: 1599.25, 0.00302978/step, 3.75322 hours remaining, 204.769531 MB of memory in use. ENERGY: 540400 747.2929 2043.0206 1942.7547 117.8703 -205623.7587 17502.3824 0.0000 0.0000 34145.3863 -149125.0514 298.2002 -183270.4377 -149030.5721 299.1988 -171.7533 -142.4660 559369.7942 2.3345 2.2598 PRESSURE: 540600 -200.607 20.8675 120.72 20.8675 93.9658 -135.571 120.718 -135.57 14.7621 GPRESSURE: 540600 -176.252 30.1469 37.9427 19.3432 120.535 -135.405 83.3629 -191.436 60.0096 PRESSAVG: 540600 19.8588 -21.8082 66.182 -21.8083 -22.5088 -29.0601 66.1821 -29.0601 -13.8346 GPRESSAVG: 540600 18.7937 -21.9228 65.8896 -22.6779 -21.7282 -27.8698 65.817 -30.7106 -13.796 TIMING: 540600 CPU: 1599.84, 0.00299141/step Wall: 1599.84, 0.00299141/step, 3.70552 hours remaining, 204.769531 MB of memory in use. ENERGY: 540600 756.9101 2103.7907 1919.4760 104.6239 -206290.0429 18055.5254 0.0000 0.0000 34196.6084 -149153.1084 298.6475 -183349.7168 -149055.5152 298.7867 -30.6264 1.4307 560203.6951 -5.4949 -5.5768 PRESSURE: 540800 -104.56 -65.8644 122.022 -65.8642 75.0033 49.3996 122.023 49.3988 -280.265 GPRESSURE: 540800 -106.304 -106.629 78.8437 -52.2007 77.7249 136.11 99.048 66.8233 -188.129 PRESSAVG: 540800 -91.7942 -10.8142 -2.6957 -10.8142 22.9868 -22.9495 -2.69577 -22.9494 50.4131 GPRESSAVG: 540800 -91.2646 -9.96304 -1.65163 -10.8252 21.8477 -25.541 -2.17867 -20.7929 51.2476 TIMING: 540800 CPU: 1600.44, 0.00297516/step Wall: 1600.44, 0.00297516/step, 3.68523 hours remaining, 205.027344 MB of memory in use. ENERGY: 540800 754.4475 2031.8936 1941.1878 117.4405 -206513.9022 18000.5484 0.0000 0.0000 34376.2339 -149292.1506 300.2162 -183668.3845 -149192.3820 298.9436 -103.2738 -72.2361 560012.1246 -6.1314 -6.0564 PRESSURE: 541000 -32.5508 20.8372 -56.5354 20.8383 -33.0529 147.733 -56.5354 147.731 -186.217 GPRESSURE: 541000 -13.0975 4.54457 -97.6019 66.5924 25.8804 189.185 -58.8838 145.229 -157.272 PRESSAVG: 541000 -25.1942 -9.5649 -11.4405 -9.56482 68.5185 -17.7273 -11.4407 -17.7272 7.55967 GPRESSAVG: 541000 -24.879 -11.1746 -10.9682 -7.96252 68.9396 -16.635 -13.083 -17.608 6.94615 TIMING: 541000 CPU: 1601.03, 0.00296655/step Wall: 1601.03, 0.00296655/step, 3.67441 hours remaining, 205.027344 MB of memory in use. ENERGY: 541000 741.2357 2036.4612 1946.2833 107.8130 -206035.8907 17750.1748 0.0000 0.0000 34261.5653 -149192.3574 299.2148 -183453.9227 -149105.9526 299.4056 -83.9401 -48.1630 559443.6499 16.9613 17.0022 PRESSURE: 541200 0.853421 -42.7907 -108.134 -42.7907 86.1774 57.4559 -108.133 57.4541 -68.3898 GPRESSURE: 541200 72.2903 -65.6753 -109.662 -95.6332 73.4929 112.009 -95.4143 -6.66837 -18.1126 PRESSAVG: 541200 6.26171 -37.6338 -20.2027 -37.6338 63.2098 -38.6671 -20.2027 -38.6671 -95.6311 GPRESSAVG: 541200 7.16323 -36.2658 -20.5127 -38.4863 62.8002 -37.046 -18.5403 -40.1403 -95.6557 TIMING: 541200 CPU: 1601.63, 0.00296724/step Wall: 1601.63, 0.00296724/step, 3.67509 hours remaining, 205.027344 MB of memory in use. ENERGY: 541200 722.3917 2106.2939 1942.8761 102.6280 -206125.1812 17915.2499 0.0000 0.0000 34159.4998 -149176.2419 298.3234 -183335.7417 -149079.0218 299.1001 6.2137 42.5569 557504.0178 -8.7199 -8.5641 PRESSURE: 541400 -116.407 -142.754 -81.5354 -142.753 -104.27 -4.52921 -81.5358 -4.52996 -212.096 GPRESSURE: 541400 -44.3447 -194.421 -130.943 -80.4852 -90.2835 -86.5077 -87.3838 27.2563 -212.954 PRESSAVG: 541400 -52.495 -4.98926 4.56221 -4.98927 8.48198 -44.7273 4.5623 -44.7273 49.4943 GPRESSAVG: 541400 -52.6236 -7.05174 3.92869 -3.78286 8.31114 -45.5073 6.69414 -43.4855 49.5672 TIMING: 541400 CPU: 1602.22, 0.00298669/step Wall: 1602.22, 0.00298669/step, 3.69901 hours remaining, 205.027344 MB of memory in use. ENERGY: 541400 779.1395 2123.8297 1920.8877 117.2538 -206090.9990 17682.8195 0.0000 0.0000 34254.8773 -149212.1916 299.1564 -183467.0688 -149114.4426 298.5404 -144.2577 -115.8609 557719.6346 1.8271 1.7516 PRESSURE: 541600 67.8317 53.7528 90.6962 53.7526 -284.007 89.5687 90.6955 89.5686 -133.94 GPRESSURE: 541600 85.5552 24.309 71.1274 112.505 -243.526 41.2295 149.548 8.25721 -87.187 PRESSAVG: 541600 31.5436 65.1425 21.0054 65.1425 12.7412 -32.2361 21.0055 -32.2361 -58.0119 GPRESSAVG: 541600 30.4204 65.8125 20.2175 67.1531 13.5263 -33.696 19.2436 -33.7438 -58.383 TIMING: 541600 CPU: 1602.82, 0.00297174/step Wall: 1602.82, 0.00297174/step, 3.68033 hours remaining, 205.027344 MB of memory in use. ENERGY: 541600 748.6124 2129.7105 1918.4922 99.3903 -205957.3295 17559.7886 0.0000 0.0000 34193.1447 -149308.1907 298.6172 -183501.3354 -149204.2572 298.8488 -116.7053 -81.7193 558642.5531 -4.5757 -4.8121 PRESSURE: 541800 133.69 -198.364 -103.51 -198.364 -246.38 5.86217 -103.512 5.86379 -84.6026 GPRESSURE: 541800 178.614 -224.232 -148.896 -125.227 -241.602 75.6729 -39.8147 32.8723 -57.2101 PRESSAVG: 541800 77.0999 38.9424 31.6182 38.9424 39.4088 1.59846 31.6182 1.59849 -66.7164 GPRESSAVG: 541800 77.0349 40.3067 31.5906 36.0745 38.9724 2.36527 31.1209 2.03107 -66.4521 TIMING: 541800 CPU: 1603.41, 0.00298086/step Wall: 1603.41, 0.00298086/step, 3.69147 hours remaining, 205.027344 MB of memory in use. ENERGY: 541800 741.6764 2134.2497 1950.5147 102.9169 -206199.7396 17818.9288 0.0000 0.0000 34207.8301 -149243.6230 298.7455 -183451.4531 -149142.1967 298.7053 -65.7644 -40.0661 557465.0648 16.5974 16.5184 PRESSURE: 542000 153.015 39.8015 -29.401 39.8012 194.993 8.20881 -29.4002 8.2084 216.724 GPRESSURE: 542000 158.271 11.4544 -32.9429 32.8011 235.804 -41.0823 -40.3575 31.6604 270.512 PRESSAVG: 542000 34.062 -61.627 -21.588 -61.627 27.4831 -9.88604 -21.588 -9.88595 -78.8851 GPRESSAVG: 542000 35.3601 -62.7922 -21.2903 -60.9311 26.3578 -9.37291 -22.4466 -10.2765 -79.5462 TIMING: 542000 CPU: 1604.01, 0.00296984/step Wall: 1604.01, 0.00296984/step, 3.67765 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: 542000 738.0303 2137.1416 1935.4325 122.2901 -206814.5314 18205.6431 0.0000 0.0000 34520.3376 -149155.6562 301.4747 -183675.9939 -149058.7807 300.0419 188.2441 221.5290 557417.0680 -5.7800 -5.9427 PRESSURE: 542200 305.73 -153.21 -121.681 -153.208 243.591 125.365 -121.681 125.365 -65.4234 GPRESSURE: 542200 335.392 -105.267 -173.211 -114.412 282.399 125.491 -31.0579 185.763 -32.7678 PRESSAVG: 542200 37.5564 8.15315 -8.86399 8.15314 0.904957 17.2107 -8.86407 17.2107 -2.10242 GPRESSAVG: 542200 34.8523 10.0074 -8.90165 7.86615 2.6145 16.8139 -7.63461 18.481 -0.793136 TIMING: 542200 CPU: 1604.6, 0.00296951/step Wall: 1604.6, 0.00296951/step, 3.67708 hours remaining, 205.027344 MB of memory in use. ENERGY: 542200 740.2302 2140.5025 1913.4934 98.9257 -206306.8705 18038.3997 0.0000 0.0000 34096.1292 -149279.1897 297.7700 -183375.3190 -149183.6301 299.2429 161.2992 195.0076 557464.5587 12.1197 12.2246 PRESSURE: 542400 169.16 -19.8413 241.297 -19.8417 -193.47 -76.6234 241.297 -76.6235 36.0715 GPRESSURE: 542400 194.418 -54.2247 256.82 30.6721 -155.73 -11.6981 160.636 -101.811 79.9039 PRESSAVG: 542400 77.3586 -13.4354 -41.9911 -13.4354 14.4109 35.3166 -41.9912 35.3166 -40.5576 GPRESSAVG: 542400 78.5314 -15.8067 -42.2951 -11.8038 12.8386 33.5975 -41.3307 35.1282 -40.1575 TIMING: 542400 CPU: 1605.2, 0.00297528/step Wall: 1605.2, 0.00297528/step, 3.68406 hours remaining, 205.027344 MB of memory in use. ENERGY: 542400 759.7291 2042.6336 1944.8299 108.8268 -206414.3653 17933.8386 0.0000 0.0000 34341.2035 -149283.3038 299.9103 -183624.5073 -149184.3291 299.1093 3.9205 39.5307 558004.9991 17.0707 17.0708 PRESSURE: 542600 36.4763 19.283 0.524956 19.2826 -194.662 70.9372 0.524821 70.9375 -208.737 GPRESSURE: 542600 35.0097 21.0145 35.0893 -50.2163 -129.382 111.44 -46.7599 133.798 -174.34 PRESSAVG: 542600 -28.607 -36.6831 5.23526 -36.6832 34.4049 -3.39303 5.2352 -3.39304 10.003 GPRESSAVG: 542600 -27.7447 -37.2641 4.76995 -38.1352 36.1393 -2.32574 4.5983 -3.16953 8.12591 TIMING: 542600 CPU: 1605.8, 0.00299783/step Wall: 1605.8, 0.00299783/step, 3.71181 hours remaining, 205.027344 MB of memory in use. ENERGY: 542600 767.8544 2111.9007 1970.5971 109.7641 -206583.8432 17955.9129 0.0000 0.0000 34455.2996 -149212.5144 300.9067 -183667.8140 -149114.8564 299.1940 -122.3077 -89.5707 559238.1377 5.2669 5.5068 PRESSURE: 542800 -144.451 -119.09 21.0299 -119.091 -104.311 -103.312 21.0294 -103.31 -72.4285 GPRESSURE: 542800 -125.266 -85.7188 -27.3457 -124.432 -123.685 -59.4725 123.499 -121.804 24.6573 PRESSAVG: 542800 -17.4106 -36.816 -11.1834 -36.8159 -5.59072 -6.8853 -11.1833 -6.88539 2.85705 GPRESSAVG: 542800 -17.1322 -35.3304 -11.4418 -35.2258 -5.92056 -6.01038 -9.76387 -5.73913 2.9283 TIMING: 542800 CPU: 1606.4, 0.00301659/step Wall: 1606.4, 0.00301659/step, 3.73487 hours remaining, 205.027344 MB of memory in use. ENERGY: 542800 749.1510 2092.1773 1968.1207 108.9667 -206067.9267 17653.2417 0.0000 0.0000 34292.2169 -149204.0523 299.4825 -183496.2692 -149104.7728 299.1073 -107.0635 -74.7647 557640.6073 -6.7147 -6.7082 PRESSURE: 543000 193.829 -45.2495 -220.361 -45.2488 17.7263 -10.9163 -220.361 -10.9164 -21.7217 GPRESSURE: 543000 222.345 -43.0283 -222.096 -43.8188 33.5223 55.4368 -44.1357 -53.9845 32.4468 PRESSAVG: 543000 39.4966 12.6158 -23.7573 12.6159 -64.2634 -26.1929 -23.7572 -26.193 38.2983 GPRESSAVG: 543000 37.7009 11.6035 -23.4211 12.3388 -63.6313 -26.3617 -23.3849 -26.6599 39.5209 TIMING: 543000 CPU: 1607, 0.00299562/step Wall: 1607, 0.00299562/step, 3.70875 hours remaining, 205.027344 MB of memory in use. ENERGY: 543000 732.1293 1996.9334 1948.6962 113.9282 -206698.4030 18044.2952 0.0000 0.0000 34515.6816 -149346.7392 301.4340 -183862.4208 -149245.2515 299.0555 63.2780 96.1048 556420.2847 4.5105 4.5302 PRESSURE: 543200 83.322 128.856 -37.6342 128.857 -160.331 101.172 -37.6335 101.172 -82.5893 GPRESSURE: 543200 126.478 125.141 55.6908 81.0412 -142.692 138.122 -137.193 92.9679 -59.1481 PRESSAVG: 543200 41.4796 35.6805 -43.6675 35.6805 -86.3621 29.0196 -43.6675 29.0198 46.6696 GPRESSAVG: 543200 41.3536 35.9394 -43.0244 35.6385 -86.0072 27.9677 -45.0169 28.1232 46.1154 TIMING: 543200 CPU: 1607.6, 0.00299665/step Wall: 1607.6, 0.00299665/step, 3.70985 hours remaining, 205.027344 MB of memory in use. ENERGY: 543200 768.6125 2113.7112 1935.1473 117.6176 -206368.1098 17707.0545 0.0000 0.0000 34308.6380 -149417.3286 299.6259 -183725.9667 -149315.0137 299.0936 -53.1996 -25.1207 556307.2583 0.5957 0.4873 PRESSURE: 543400 34.3142 -59.4637 -23.7804 -59.4644 194.13 -108.728 -23.7804 -108.729 -221.715 GPRESSURE: 543400 42.0343 -76.354 -42.1168 -29.3747 211.442 -100.813 10.0323 -73.7026 -130.52 PRESSAVG: 543400 26.6845 -43.4071 -16.7786 -43.4071 69.8926 15.3991 -16.7785 15.3991 -59.8363 GPRESSAVG: 543400 28.0628 -46.1187 -17.8376 -43.869 68.2635 16.9815 -14.8754 16.4951 -59.0505 TIMING: 543400 CPU: 1608.2, 0.00300128/step Wall: 1608.2, 0.00300128/step, 3.71542 hours remaining, 205.027344 MB of memory in use. ENERGY: 543400 797.8674 2166.3873 1961.0277 111.1614 -206376.5996 17892.2720 0.0000 0.0000 34269.4121 -149178.4717 299.2833 -183447.8838 -149086.7132 299.3872 2.2431 40.9855 555830.6991 12.2470 12.4253 PRESSURE: 543600 -35.3314 32.2227 -110.943 32.2215 -89.3498 170.234 -110.943 170.233 -267.007 GPRESSURE: 543600 -31.6781 65.0329 -87.172 24.4154 -63.4937 223.422 -37.1246 234.264 -211.928 PRESSAVG: 543600 46.6364 -35.0423 -26.1648 -35.0423 -29.8998 -6.10573 -26.1648 -6.10566 1.56034 GPRESSAVG: 543600 44.6339 -33.6081 -25.5368 -33.7332 -28.5673 -6.62248 -28.1186 -6.69455 1.5739 TIMING: 543600 CPU: 1608.8, 0.0029839/step Wall: 1608.8, 0.0029839/step, 3.69374 hours remaining, 205.027344 MB of memory in use. ENERGY: 543600 715.9339 2084.0461 1963.4258 114.9968 -206138.4486 17607.8478 0.0000 0.0000 34424.2419 -149227.9562 300.6355 -183652.1981 -149127.3475 299.2891 -130.5627 -102.3665 558794.6902 6.0990 5.8802 PRESSURE: 543800 61.9217 156.188 42.236 156.188 -160.408 98.0556 42.2363 98.055 -93.6134 GPRESSURE: 543800 74.9669 83.48 34.4473 229.854 -112.538 67.5872 60.0067 132.798 -66.2344 PRESSAVG: 543800 31.6736 43.5938 -9.16941 43.5939 -51.385 21.6469 -9.16928 21.6469 10.2255 GPRESSAVG: 543800 32.485 45.7804 -10.0567 42.7809 -52.9549 21.4529 -7.9028 19.9494 10.6427 TIMING: 543800 CPU: 1609.39, 0.00298701/step Wall: 1609.39, 0.00298701/step, 3.69742 hours remaining, 205.027344 MB of memory in use. ENERGY: 543800 729.9351 2073.4081 1970.3129 123.2220 -206156.3065 17690.1613 0.0000 0.0000 34341.7095 -149227.5576 299.9147 -183569.2671 -149133.0585 299.1607 -64.0331 -34.6019 558059.1551 -3.1620 -3.2757 PRESSURE: 544000 113.179 -94.9348 -56.5091 -94.9359 -99.701 -64.8344 -56.5094 -64.8347 -209.722 GPRESSURE: 544000 109.545 -111.184 -44.8205 -17.3999 9.24864 -165.372 -49.6339 -53.7964 -237.333 PRESSAVG: 544000 -20.5788 28.5612 -14.6981 28.5612 -0.984607 -3.62689 -14.6982 -3.62689 25.5197 GPRESSAVG: 544000 -20.3095 26.487 -13.103 28.9647 -0.619766 -3.72928 -17.0967 -1.48057 24.3365 TIMING: 544000 CPU: 1609.99, 0.00299702/step Wall: 1609.99, 0.00299702/step, 3.70964 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: 544000 700.5662 2072.8993 1947.9087 114.7828 -206128.6061 17752.7794 0.0000 0.0000 34315.7458 -149223.9239 299.6879 -183539.6698 -149128.3320 299.9036 -65.4147 -39.5131 560783.4927 1.3188 1.1357 PRESSURE: 544200 -52.8334 -167.849 96.3792 -167.847 -197.469 130.927 96.3789 130.927 -125.545 GPRESSURE: 544200 -83.0117 -86.6484 71.2217 -191.416 -114.044 214.484 131.408 166.736 -80.6326 PRESSAVG: 544200 1.31691 -43.9244 -8.9287 -43.9244 29.1787 -20.3663 -8.92864 -20.3663 -52.5263 GPRESSAVG: 544200 0.939344 -42.8673 -10.7122 -43.7147 29.7919 -18.6957 -7.0305 -21.458 -52.5852 TIMING: 544200 CPU: 1610.59, 0.0029858/step Wall: 1610.59, 0.0029858/step, 3.69559 hours remaining, 205.027344 MB of memory in use. ENERGY: 544200 748.5775 2076.0504 1971.0655 113.1472 -206094.7311 17857.4798 0.0000 0.0000 34206.4949 -149121.9157 298.7338 -183328.4107 -149023.7799 299.0631 -125.2823 -92.5627 558245.5146 -7.3436 -7.2847 LDB: ============= START OF LOAD BALANCING ============== 1614.02 LDB: ============== END OF LOAD BALANCING =============== 1614.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1614.02 LDB: ============= START OF LOAD BALANCING ============== 1614.32 LDB: Largest compute 4820 load 0.031221 is 26.5% of average load 0.117818 LDB: Average compute 0.001727 is 1.5% of average load 0.117818 LDB: TIME 1614.32 LOAD: AVG 0.117818 MAX 0.196403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.824 MB LDB: TIME 1614.32 LOAD: AVG 0.117818 MAX 0.196403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.824 MB LDB: TIME 1614.32 LOAD: AVG 0.117818 MAX 0.196403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.824 MB LDB: ============== END OF LOAD BALANCING =============== 1614.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1614.32 PRESSURE: 544400 201.988 179.763 -23.2602 179.763 125.179 139.914 -23.258 139.913 -2.15829 GPRESSURE: 544400 263.147 242.884 -119.052 137.727 128.793 177.924 67.7091 65.1514 28.4961 PRESSAVG: 544400 35.3122 33.4217 -44.4534 33.4216 -4.91532 23.622 -44.4534 23.6221 -58.3939 GPRESSAVG: 544400 35.7523 33.7611 -45.5337 31.9651 -4.2642 22.9582 -43.1381 23.9785 -59.184 TIMING: 544400 CPU: 1611.19, 0.00302442/step Wall: 1611.19, 0.00302442/step, 3.74323 hours remaining, 206.570312 MB of memory in use. ENERGY: 544400 735.0461 2070.3203 1966.1967 113.1755 -206562.4279 18022.0817 0.0000 0.0000 34267.0089 -149388.5988 299.2623 -183655.6077 -149294.3777 299.5934 108.3362 140.1453 556935.0658 -9.3324 -9.2320 PRESSURE: 544600 151.933 36.3935 -85.8958 36.3933 -96.8528 -5.3739 -85.8953 -5.37338 343.136 GPRESSURE: 544600 210.976 33.6183 -138.416 81.4685 -33.5097 75.8685 32.3315 -4.03971 316.354 PRESSAVG: 544600 30.9779 78.0862 20.0923 78.0862 18.2847 22.428 20.0922 22.428 -36.9456 GPRESSAVG: 544600 30.0369 76.8585 21.3971 79.0731 18.0351 21.7632 17.8903 22.576 -36.1455 TIMING: 544600 CPU: 1611.79, 0.00297089/step Wall: 1611.79, 0.00297089/step, 3.67681 hours remaining, 206.773438 MB of memory in use. ENERGY: 544600 755.3438 2037.9018 1936.0951 92.5413 -206494.7582 17912.2786 0.0000 0.0000 34400.7476 -149359.8499 300.4303 -183760.5975 -149266.2222 299.0034 132.7387 164.6068 555315.9395 4.1057 3.9755 PRESSURE: 544800 -173.842 44.4351 73.158 44.4351 -22.7322 72.3703 73.1573 72.3696 -366.029 GPRESSURE: 544800 -134.713 50.7139 55.7398 28.6233 40.9634 82.6515 72.0873 106.637 -368.058 PRESSAVG: 544800 55.3474 28.7328 -12.2831 28.7328 33.3663 11.1487 -12.2831 11.1487 -121.133 GPRESSAVG: 544800 55.8394 32.7629 -12.1241 28.583 33.1387 9.67731 -12.0579 11.6663 -121.23 TIMING: 544800 CPU: 1612.39, 0.00298161/step Wall: 1612.39, 0.00298161/step, 3.68991 hours remaining, 206.773438 MB of memory in use. ENERGY: 544800 762.0859 2042.4608 1920.1692 121.8621 -206129.6113 17790.7826 0.0000 0.0000 34164.1567 -149328.0940 298.3641 -183492.2507 -149235.6172 298.8389 -187.5345 -153.9358 559000.0636 -10.8064 -10.7505 PRESSURE: 545000 23.8504 99.6971 -160.679 99.6972 184.441 -78.4913 -160.681 -78.4908 -317.423 GPRESSURE: 545000 67.1759 216.053 -105.272 23.4082 190.622 -24.2556 -154.429 -184.705 -271.819 PRESSAVG: 545000 36.9359 -16.6481 29.9297 -16.6482 63.4209 -12.2144 29.9298 -12.2143 -133.345 GPRESSAVG: 545000 37.0873 -19.09 29.7827 -17.0058 63.8009 -11.9436 30.0438 -11.4405 -133.413 TIMING: 545000 CPU: 1612.98, 0.00295735/step Wall: 1612.98, 0.00295735/step, 3.65972 hours remaining, 206.773438 MB of memory in use. ENERGY: 545000 779.8375 2042.0841 1943.1078 112.7245 -206238.6508 17888.7407 0.0000 0.0000 34076.0847 -149396.0716 297.5949 -183472.1563 -149303.2338 298.3091 -36.3771 -4.6737 557801.3204 -10.9961 -10.8414 PRESSURE: 545200 538.001 102.889 55.6065 102.889 257.562 -36.5732 55.607 -36.5731 -147.386 GPRESSURE: 545200 612.621 143.53 -15.6708 16.9915 202.787 16.7701 156.438 -2.92153 -71.8892 PRESSAVG: 545200 88.3583 28.0869 -13.048 28.0869 24.5842 12.4844 -13.0481 12.4845 -122.093 GPRESSAVG: 545200 88.2949 25.7652 -11.8957 29.6066 23.4994 14.5394 -14.1324 12.213 -121.099 TIMING: 545200 CPU: 1613.57, 0.00299135/step Wall: 1613.57, 0.00299135/step, 3.70163 hours remaining, 206.773438 MB of memory in use. ENERGY: 545200 720.7205 2023.7522 1947.4340 113.7229 -206776.3712 18258.4127 0.0000 0.0000 34201.9901 -149510.3387 298.6945 -183712.3288 -149413.2204 298.6850 216.0591 247.8396 555923.8612 -3.0501 -3.1017 PRESSURE: 545400 -271.719 76.7134 -93.5368 76.7133 -156.605 -153.835 -93.539 -153.834 150.045 GPRESSURE: 545400 -239.329 64.8401 -76.5061 37.0044 -130.191 -144.006 -117.24 -131.071 182 PRESSAVG: 545400 50.5886 27.1115 -40.8932 27.1115 -38.5603 -25.5207 -40.8932 -25.5207 15.3637 GPRESSAVG: 545400 49.9267 29.6019 -42.3005 24.7288 -37.1852 -27.1384 -37.9517 -25.7651 15.1097 TIMING: 545400 CPU: 1614.17, 0.00295606/step Wall: 1614.17, 0.00295606/step, 3.6578 hours remaining, 206.773438 MB of memory in use. ENERGY: 545400 722.1899 2046.0778 1979.4716 108.0110 -206020.2130 17580.6912 0.0000 0.0000 34313.2271 -149270.5444 299.6659 -183583.7715 -149173.4216 299.1794 -92.7595 -62.5065 558328.9718 9.1307 9.2837 PRESSURE: 545600 64.713 11.031 -15.3023 11.0318 -243.599 -121.468 -15.3017 -121.467 133.622 GPRESSURE: 545600 25.9653 -67.5399 2.22385 45.9722 -158.779 -74.7115 33.6506 -229.842 182.538 PRESSAVG: 545600 3.03178 -45.652 22.5348 -45.652 -28.091 -44.3348 22.5348 -44.3349 -33.4565 GPRESSAVG: 545600 4.22273 -45.7879 22.5886 -45.2062 -28.0265 -44.4364 23.2208 -43.8018 -35.1217 TIMING: 545600 CPU: 1614.76, 0.00297769/step Wall: 1614.76, 0.00297769/step, 3.6844 hours remaining, 206.773438 MB of memory in use. ENERGY: 545600 741.0386 2090.7947 1913.0252 114.8670 -206200.5663 17749.7609 0.0000 0.0000 34311.3241 -149279.7560 299.6493 -183591.0800 -149181.5368 299.4097 -15.0881 16.5749 556845.2216 -19.5052 -19.6418 PRESSURE: 545800 -176.732 -203.64 50.4305 -203.639 -123.801 94.1733 50.4307 94.175 -490.921 GPRESSURE: 545800 -109.272 -226.148 71.6456 -172.636 -80.2422 123.353 13.4777 88.8298 -496.092 PRESSAVG: 545800 -41.3848 43.7813 38.5819 43.7813 68.0334 -51.1274 38.5819 -51.1275 -52.6764 GPRESSAVG: 545800 -41.3541 43.7807 42.4284 43.0463 67.0913 -48.632 33.84 -51.3901 -51.9449 TIMING: 545800 CPU: 1615.35, 0.00294683/step Wall: 1615.35, 0.00294683/step, 3.64605 hours remaining, 206.773438 MB of memory in use. ENERGY: 545800 772.5585 2043.7959 1930.5288 108.8096 -206147.0518 17626.0319 0.0000 0.0000 34174.2823 -149491.0448 298.4525 -183665.3271 -149398.9440 299.1961 -263.8177 -228.5353 557998.6378 -8.6759 -8.7359 PRESSURE: 546000 -28.4623 27.8239 20.7464 27.8254 207.098 20.0954 20.7453 20.0941 -73.5023 GPRESSURE: 546000 -4.85235 -12.287 81.3598 8.78327 264.464 82.3854 52.8509 -7.93346 -43.9218 PRESSAVG: 546000 44.8482 -23.4496 39.1907 -23.4496 1.63228 -8.12572 39.1906 -8.12575 -17.7973 GPRESSAVG: 546000 45.0652 -23.1327 36.3646 -20.3155 1.82431 -10.3893 41.093 -6.55273 -17.5489 TIMING: 546000 CPU: 1615.94, 0.0029629/step Wall: 1615.94, 0.0029629/step, 3.66577 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: 546000 737.5098 2113.9740 1962.5965 126.6727 -206465.8514 17911.7824 0.0000 0.0000 34180.4857 -149432.8303 298.5067 -183613.3160 -149342.8743 298.6428 35.0446 71.8966 557675.0267 9.5610 9.7802 PRESSURE: 546200 6.19792 -42.7438 63.3603 -42.7434 69.9952 -9.88408 63.3595 -9.88432 66.893 GPRESSURE: 546200 89.9805 -59.8048 105.146 -51.2404 56.4049 -109.899 60.5781 -79.3922 85.6315 PRESSAVG: 546200 27.7744 3.86133 36.2251 3.86128 8.54128 -5.4085 36.2251 -5.40856 -47.7078 GPRESSAVG: 546200 27.7977 4.00476 36.687 2.07134 8.14571 -1.58028 36.0724 -9.07293 -47.7172 TIMING: 546200 CPU: 1616.53, 0.0029417/step Wall: 1616.53, 0.0029417/step, 3.63938 hours remaining, 206.773438 MB of memory in use. ENERGY: 546200 753.6046 2120.0588 1969.7589 118.9984 -206344.0765 17955.4499 0.0000 0.0000 34216.3173 -149209.8887 298.8196 -183426.2060 -149114.0450 298.8966 47.6954 77.3390 558489.6149 -3.7974 -3.9246 PRESSURE: 546400 -160.051 29.1305 -26.8484 29.1312 -236.868 -3.8855 -26.8469 -3.88567 140.228 GPRESSURE: 546400 -163.244 21.8236 -100.427 29.731 -188.265 70.9465 -47.6148 -1.41188 176.959 PRESSAVG: 546400 24.794 -64.937 99.2084 -64.937 -71.8129 4.45486 99.2084 4.45483 71.8001 GPRESSAVG: 546400 24.2704 -66.5021 97.7487 -63.7122 -71.0832 1.61834 99.2056 5.37333 71.7609 TIMING: 546400 CPU: 1617.12, 0.00293627/step Wall: 1617.12, 0.00293627/step, 3.63249 hours remaining, 206.773438 MB of memory in use. ENERGY: 546400 746.4867 2103.8799 1967.8105 114.8284 -206405.1318 17895.3696 0.0000 0.0000 34433.1241 -149143.6325 300.7130 -183576.7566 -149044.7712 299.3064 -85.5635 -58.1832 558851.3896 8.2604 8.3160 PRESSURE: 546600 49.9995 -46.133 40.1558 -46.1328 29.9031 128.006 40.1548 128.006 34.5714 GPRESSURE: 546600 61.3307 -74.262 22.3643 -40.3708 79.7395 99.1776 -48.9068 100.731 72.7962 PRESSAVG: 546600 19.6374 -25.0354 -2.3594 -25.0354 -31.2264 43.4538 -2.35936 43.4538 43.0519 GPRESSAVG: 546600 20.2332 -23.5325 -2.13603 -26.0299 -30.6649 41.8947 -2.68141 44.4618 42.4537 TIMING: 546600 CPU: 1617.71, 0.00294233/step Wall: 1617.71, 0.00294233/step, 3.63982 hours remaining, 206.773438 MB of memory in use. ENERGY: 546600 733.0222 2108.5899 1954.0222 113.2890 -206070.4341 17799.0183 0.0000 0.0000 34253.2627 -149109.2297 299.1423 -183362.4924 -149010.4764 299.9522 38.1580 71.2888 558656.0955 10.4876 10.6740 PRESSURE: 546800 100.163 151.087 174.402 151.088 157.199 -29.5641 174.403 -29.5653 -139.084 GPRESSURE: 546800 180.889 265.95 68.0613 29.6698 178.63 -78.6918 191.841 -15.9087 -154.576 PRESSAVG: 546800 -6.84165 -19.9985 16.1488 -19.9985 -10.886 -32.9498 16.1488 -32.9499 63.3018 GPRESSAVG: 546800 -7.58244 -19.408 17.1722 -21.8161 -11.385 -33.7014 17.8024 -31.4158 64.4244 TIMING: 546800 CPU: 1618.3, 0.00296285/step Wall: 1618.3, 0.00296285/step, 3.66504 hours remaining, 206.773438 MB of memory in use. ENERGY: 546800 751.8643 2077.6806 1957.6432 113.2135 -206230.2811 17736.1330 0.0000 0.0000 34211.4547 -149382.2919 298.7771 -183593.7466 -149282.8450 298.5900 39.4256 68.3143 556892.3989 15.1914 15.1523 PRESSURE: 547000 -17.4193 167.937 55.5995 167.937 -52.9133 37.9142 55.5998 37.9127 -140.503 GPRESSURE: 547000 -24.31 160.712 -17.7647 209.475 -17.0915 -27.3826 56.6368 45.413 -83.4203 PRESSAVG: 547000 0.756485 34.9198 9.53752 34.9198 15.8697 -20.4486 9.53744 -20.4485 -11.6493 GPRESSAVG: 547000 -0.636676 32.1418 8.91639 39.5789 15.8379 -19.007 7.74492 -21.3918 -10.2182 TIMING: 547000 CPU: 1618.89, 0.00295875/step Wall: 1618.89, 0.00295875/step, 3.65981 hours remaining, 206.773438 MB of memory in use. ENERGY: 547000 696.0297 2121.3064 1959.6421 122.3191 -206266.2025 17730.2457 0.0000 0.0000 34243.4765 -149393.1830 299.0568 -183636.6595 -149294.5313 298.9371 -70.2786 -41.6073 557896.5008 1.6590 1.6610 PRESSURE: 547200 -56.1624 -284.281 125.44 -284.282 -97.8957 -85.7607 125.439 -85.7607 -279.107 GPRESSURE: 547200 -6.23347 -218.812 34.9215 -248.874 -89.3488 -76.0096 120.927 -130.883 -257.21 PRESSAVG: 547200 10.5651 68.5386 -2.41094 68.5386 -55.255 2.47845 -2.41081 2.47851 13.1314 GPRESSAVG: 547200 12.2873 71.4461 -1.5073 64.8669 -56.2832 1.37121 -0.702578 2.61749 11.8148 TIMING: 547200 CPU: 1619.48, 0.0029562/step Wall: 1619.48, 0.0029562/step, 3.6565 hours remaining, 206.773438 MB of memory in use. ENERGY: 547200 742.4809 2083.3269 1957.4729 121.2772 -206077.2103 17699.3346 0.0000 0.0000 34081.8268 -149391.4909 297.6451 -183473.3177 -149294.5737 298.8384 -144.3884 -117.5975 559276.6169 -10.5195 -10.7270 PRESSURE: 547400 100.588 70.4891 -71.0396 70.4887 -202.456 83.2492 -71.0389 83.2496 -38.8684 GPRESSURE: 547400 79.5175 39.2961 -40.2127 8.08724 -139.673 139.69 -78.124 97.1754 15.2468 PRESSAVG: 547400 -0.249229 -8.62395 -24.9887 -8.62412 85.0954 -6.00628 -24.9886 -6.00621 -56.1523 GPRESSAVG: 547400 -1.15418 -9.22548 -27.997 -7.59092 85.061 -4.55923 -25.4522 -6.23951 -55.8054 TIMING: 547400 CPU: 1620.08, 0.00296314/step Wall: 1620.08, 0.00296314/step, 3.66492 hours remaining, 206.773438 MB of memory in use. ENERGY: 547400 764.5042 2073.7791 1964.3978 124.4035 -206672.8315 17909.4489 0.0000 0.0000 34328.6553 -149507.6427 299.8007 -183836.2980 -149411.7153 298.0645 -46.9121 -14.9695 558790.1883 9.5646 9.3671 PRESSURE: 547600 -81.3802 63.3847 23.6016 63.3838 -241.262 -159.128 23.6022 -159.128 -12.6589 GPRESSURE: 547600 -86.7456 139.787 74.8877 33.8603 -189.941 -128.013 5.42628 -155.672 26.7507 PRESSAVG: 547600 -31.93 9.18655 -8.68062 9.18645 -6.66857 11.7565 -8.68066 11.7565 31.1145 GPRESSAVG: 547600 -32.4 11.5958 -7.04292 7.33177 -5.9029 11.0759 -9.66057 11.9623 30.727 TIMING: 547600 CPU: 1620.67, 0.00295965/step Wall: 1620.67, 0.00295965/step, 3.66043 hours remaining, 206.773438 MB of memory in use. ENERGY: 547600 730.3860 2051.8290 1968.3681 114.7236 -206352.7019 17808.6314 0.0000 0.0000 34128.9184 -149549.8453 298.0563 -183678.7637 -149441.6686 297.7788 -111.7670 -83.3120 558283.7360 -2.4947 -2.5253 PRESSURE: 547800 -64.8098 116.727 -60.501 116.728 139.755 107.438 -60.4997 107.438 119.631 GPRESSURE: 547800 -46.0603 126.442 -110.463 63.0507 153.68 176.249 -41.8542 54.2801 183.878 PRESSAVG: 547800 -87.6713 3.62679 15.0954 3.62678 -27.988 30.2941 15.0954 30.294 119.371 GPRESSAVG: 547800 -86.6887 2.49977 14.4531 4.5293 -27.5278 29.0591 15.9683 33.9138 118.021 TIMING: 547800 CPU: 1621.26, 0.00296176/step Wall: 1621.26, 0.00296176/step, 3.66287 hours remaining, 206.773438 MB of memory in use. ENERGY: 547800 739.4985 2065.9501 1930.8687 107.4100 -206678.3647 18082.5142 0.0000 0.0000 34245.5470 -149506.5763 299.0749 -183752.1233 -149414.1854 298.2406 64.8587 97.1660 558425.1942 1.2373 1.2680 PRESSURE: 548000 -122.368 -2.1179 -11.0013 -2.1192 172.676 60.2373 -11.0008 60.2373 -153.519 GPRESSURE: 548000 -138.831 93.6809 24.5224 -70.3421 245.226 127.552 -45.1143 181.979 -113.26 PRESSAVG: 548000 -72.0722 16.3777 4.62254 16.3778 49.1037 -3.90846 4.62263 -3.9085 26.3411 GPRESSAVG: 548000 -71.1137 14.5471 7.51182 18.1697 47.3482 -1.75997 4.39888 -5.73191 27.5746 TIMING: 548000 CPU: 1621.85, 0.00295452/step Wall: 1621.85, 0.00295452/step, 3.65375 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: 548000 710.4283 1998.6383 1963.9838 119.3070 -206375.2248 17910.4583 0.0000 0.0000 34094.7546 -149577.6545 297.7580 -183672.4091 -149480.9988 297.9914 -34.4038 -2.2885 558595.6429 1.1242 1.2697 PRESSURE: 548200 -163.909 -18.0747 54.5338 -18.0742 169.158 90.6841 54.5329 90.6843 -138.982 GPRESSURE: 548200 -124.414 50.9916 37.7111 4.64218 198.365 66.8356 84.8298 96.2032 -123.152 PRESSAVG: 548200 18.1658 -68.6879 -18.3268 -68.688 -21.7737 -36.4734 -18.3267 -36.4733 -2.08844 GPRESSAVG: 548200 16.7431 -67.7183 -18.8928 -68.1718 -18.9307 -36.1298 -15.7369 -35.9596 -3.23939 TIMING: 548200 CPU: 1622.45, 0.00298189/step Wall: 1622.45, 0.0029819/step, 3.68744 hours remaining, 206.773438 MB of memory in use. ENERGY: 548200 734.6664 2029.9022 1919.9827 102.4296 -206644.6886 17888.2282 0.0000 0.0000 34267.4447 -149702.0348 299.2661 -183969.4795 -149609.2214 297.6504 -44.5775 -16.4003 558877.3168 -1.8988 -1.8090 LDB: ============= START OF LOAD BALANCING ============== 1625.87 LDB: ============== END OF LOAD BALANCING =============== 1625.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1625.88 LDB: ============= START OF LOAD BALANCING ============== 1626.17 LDB: Largest compute 4820 load 0.031209 is 26.5% of average load 0.117765 LDB: Average compute 0.001728 is 1.5% of average load 0.117765 LDB: TIME 1626.18 LOAD: AVG 0.117765 MAX 0.19546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.129 MB LDB: TIME 1626.18 LOAD: AVG 0.117765 MAX 0.19546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.367 MB LDB: TIME 1626.18 LOAD: AVG 0.117765 MAX 0.19546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.367 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1626.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1626.18 PRESSURE: 548400 -127.846 -79.5223 19.965 -79.5215 -154.111 -44.0762 19.9642 -44.0758 5.67881 GPRESSURE: 548400 -47.6664 -120.523 -72.1458 -22.8439 -103.41 2.43689 87.951 -64.5504 -17.4948 PRESSAVG: 548400 -29.7844 22.9509 42.8505 22.951 7.98234 8.30921 42.8505 8.30903 56.5234 GPRESSAVG: 548400 -28.4988 22.8451 41.5651 22.6517 6.58724 7.80473 40.6685 9.21409 56.4107 TIMING: 548400 CPU: 1623.05, 0.00301991/step Wall: 1623.05, 0.00301991/step, 3.73429 hours remaining, 205.847656 MB of memory in use. ENERGY: 548400 754.5929 2068.6867 1969.2201 113.2031 -206462.8342 17784.1243 0.0000 0.0000 34199.8530 -149573.1541 298.6758 -183773.0071 -149474.3682 298.1882 -92.0927 -56.1903 557799.2491 11.5738 11.4997 PRESSURE: 548600 -105.471 127.692 59.0482 127.692 76.5453 -2.09197 59.0484 -2.09223 -133.578 GPRESSURE: 548600 -97.8043 115.99 95.6289 77.3005 181.489 55.0911 56.9085 74.4176 -144.363 PRESSAVG: 548600 21.0864 41.4326 67.9399 41.4326 48.11 -43.8419 67.94 -43.8419 -10.527 GPRESSAVG: 548600 21.4066 41.8079 68.493 41.0912 47.5926 -43.161 67.0219 -45.6175 -10.7195 TIMING: 548600 CPU: 1623.65, 0.00297996/step Wall: 1623.65, 0.00297996/step, 3.68472 hours remaining, 206.050781 MB of memory in use. ENERGY: 548600 751.1566 2049.2172 1963.8193 110.3089 -206573.3085 17903.4553 0.0000 0.0000 34344.2078 -149451.1434 299.9365 -183795.3511 -149351.9242 299.2618 -54.1678 -20.2261 556846.7056 19.5565 19.4266 PRESSURE: 548800 160.121 88.275 86.4425 88.2734 -0.572183 -67.4076 86.4422 -67.4065 -17.518 GPRESSURE: 548800 146.719 85.9093 43.7828 127.384 79.0261 -132.577 126.638 -79.6258 11.9358 PRESSAVG: 548800 -26.0945 13.0879 -16.0884 13.0879 18.3516 14.1723 -16.0884 14.1723 0.927157 GPRESSAVG: 548800 -27.0801 11.8143 -16.6231 14.5729 19.2436 13.8089 -15.4844 13.9122 1.30451 TIMING: 548800 CPU: 1624.24, 0.00296204/step Wall: 1624.24, 0.00296204/step, 3.66239 hours remaining, 206.050781 MB of memory in use. ENERGY: 548800 746.0053 2056.9372 1935.6563 104.1690 -206652.5702 18003.8143 0.0000 0.0000 34321.3886 -149484.5995 299.7372 -183805.9882 -149389.4260 298.7563 47.3434 79.2268 556487.3880 -2.2719 -2.1773 PRESSURE: 549000 -229.141 -188.187 -66.2107 -188.187 -93.8507 -109.549 -66.2111 -109.549 -5.13071 GPRESSURE: 549000 -251.398 -188.843 14.4154 -209.044 -51.0253 -122.923 -120.04 -154.153 61.3146 PRESSAVG: 549000 6.34606 -32.7315 -10.1977 -32.7315 14.899 -42.4181 -10.1977 -42.418 -18.5988 GPRESSAVG: 549000 6.76906 -32.1425 -8.39542 -34.689 14.7722 -44.2957 -11.0057 -41.0665 -18.8176 TIMING: 549000 CPU: 1624.83, 0.00295385/step Wall: 1624.83, 0.00295385/step, 3.65211 hours remaining, 206.050781 MB of memory in use. ENERGY: 549000 737.6281 2103.6637 1963.2757 119.0291 -206173.0545 17734.2997 0.0000 0.0000 34065.4526 -149449.7056 297.5021 -183515.1582 -149355.2346 298.8214 -109.3741 -80.3695 558108.2147 0.8821 0.9079 PRESSURE: 549200 96.5357 137.526 -58.8313 137.528 -32.0016 8.07167 -58.8318 8.07007 -192.207 GPRESSURE: 549200 69.8054 170.971 -91.7678 32.649 10.3325 -82.5685 -79.5121 56.7131 -106.71 PRESSAVG: 549200 -8.99125 -3.53508 -22.4442 -3.53511 13.9944 -28.0683 -22.4443 -28.0683 36.6094 GPRESSAVG: 549200 -10.0937 -2.01614 -24.049 -4.67033 13.1053 -26.2815 -22.3538 -29.4551 38.873 TIMING: 549200 CPU: 1625.42, 0.00294818/step Wall: 1625.42, 0.00294818/step, 3.64493 hours remaining, 206.050781 MB of memory in use. ENERGY: 549200 732.9879 2089.7858 1941.2371 102.2288 -206713.9532 17974.0922 0.0000 0.0000 34328.3649 -149545.2565 299.7981 -183873.6214 -149453.1268 298.3679 -42.5575 -8.8572 557176.5669 13.8709 13.9615 PRESSURE: 549400 -181.808 -100.361 -33.0854 -100.361 -5.21972 73.2368 -33.0847 73.2374 291.034 GPRESSURE: 549400 -135.534 -126.272 -95.6905 25.2947 31.4297 31.4601 47.1284 5.67338 293.772 PRESSAVG: 549400 2.53571 -37.498 -21.4841 -37.498 -108.145 -2.30847 -21.4841 -2.30844 42.006 GPRESSAVG: 549400 2.64592 -39.3929 -20.9436 -33.9953 -106.865 -0.334486 -21.2205 -4.44732 40.5628 TIMING: 549400 CPU: 1626.01, 0.00294759/step Wall: 1626.01, 0.00294759/step, 3.64403 hours remaining, 206.050781 MB of memory in use. ENERGY: 549400 748.5733 2071.9977 1934.3211 106.8282 -206499.3393 17950.7373 0.0000 0.0000 34156.5532 -149530.3283 298.2977 -183686.8815 -149435.7874 298.1926 34.6689 63.2226 556732.6981 -21.2010 -21.2188 PRESSURE: 549600 -56.8978 -30.938 126.846 -30.9359 32.5618 -38.0849 126.846 -38.0832 -166.971 GPRESSURE: 549600 -8.47428 1.17695 81.3851 -70.6293 54.9004 40.1806 168.883 -66.1776 -141.737 PRESSAVG: 549600 -29.5595 -18.9057 16.959 -18.9058 -18.6262 -46.1558 16.9591 -46.1559 -11.5925 GPRESSAVG: 549600 -29.8226 -16.4213 14.3755 -20.1771 -17.8586 -46.418 16.7177 -44.2075 -12.7817 TIMING: 549600 CPU: 1626.6, 0.00296495/step Wall: 1626.6, 0.00296495/step, 3.66533 hours remaining, 206.050781 MB of memory in use. ENERGY: 549600 745.2809 2142.9942 1957.0766 112.7351 -206628.3230 17785.9990 0.0000 0.0000 34348.3391 -149535.8982 299.9726 -183884.2372 -149439.0035 297.7264 -63.7691 -31.7702 557419.4255 -19.9261 -20.1543 PRESSURE: 549800 -363.749 54.2649 -39.075 54.2632 -38.2425 55.7811 -39.0756 55.7819 -390.246 GPRESSURE: 549800 -349.88 -13.476 -86.5792 98.5593 -7.08876 15.8979 -137.218 120.173 -344.206 PRESSAVG: 549800 -35.8422 51.8534 5.67939 51.8535 104.581 -26.6577 5.67947 -26.6576 -53.7588 GPRESSAVG: 549800 -34.984 49.4078 6.90428 51.965 102.787 -26.0532 6.69671 -27.9591 -52.6087 TIMING: 549800 CPU: 1627.2, 0.00296241/step Wall: 1627.2, 0.00296241/step, 3.66204 hours remaining, 206.050781 MB of memory in use. ENERGY: 549800 729.4348 2095.4705 1946.8176 112.2978 -206015.5539 17457.5682 0.0000 0.0000 34280.8924 -149393.0726 299.3836 -183673.9650 -149297.7770 298.5876 -264.0790 -233.7247 559124.4623 4.9932 5.0647 PRESSURE: 550000 145.443 162.093 118.486 162.093 120.745 -7.60098 118.484 -7.59975 91.7144 GPRESSURE: 550000 162.604 149.532 58.7421 177.269 158.694 55.318 30.0633 53.3031 142.821 PRESSAVG: 550000 -35.0623 60.9864 -7.37497 60.9864 54.2496 20.1186 -7.37495 20.1186 -20.4008 GPRESSAVG: 550000 -35.007 60.8316 -7.01845 61.4811 54.9913 18.2927 -8.79468 23.1453 -20.3227 TIMING: 550000 CPU: 1627.79, 0.00297984/step Wall: 1627.79, 0.00297984/step, 3.68341 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: 550000 761.5977 2102.0578 1924.1422 113.2051 -206588.9191 18048.8593 0.0000 0.0000 34126.8263 -149512.2307 298.0381 -183639.0570 -149416.4929 298.5665 119.3007 154.7061 557208.5060 -0.4045 -0.1128 PRESSURE: 550200 -224.999 -8.05481 121.469 -8.05555 -294.595 25.4581 121.47 25.4582 94.7328 GPRESSURE: 550200 -238.067 8.56697 146.347 -55.2925 -215.08 -62.2754 47.8217 103.446 128.978 PRESSAVG: 550200 61.3807 10.7624 -17.801 10.7625 7.92101 18.3273 -17.8011 18.3273 -57.6413 GPRESSAVG: 550200 61.2834 10.8183 -16.6035 10.4671 8.60372 20.6923 -18.3841 15.2651 -57.7939 TIMING: 550200 CPU: 1628.38, 0.00295473/step Wall: 1628.38, 0.00295473/step, 3.65221 hours remaining, 206.050781 MB of memory in use. ENERGY: 550200 755.9856 2079.7719 1946.8009 113.1040 -206800.0383 17745.8031 0.0000 0.0000 34504.0601 -149654.5128 301.3325 -184158.5729 -149556.1091 297.5020 -141.6205 -108.0563 558070.8606 3.8868 4.0311 PRESSURE: 550400 -129.379 19.3029 116.741 19.3028 -73.7481 -115.819 116.741 -115.818 175.215 GPRESSURE: 550400 -73.232 55.7985 116.706 32.4788 -39.5361 -57.456 150.109 -175.86 181.691 PRESSAVG: 550400 -23.3438 -10.4369 37.1008 -10.4369 -7.79357 0.690045 37.1008 0.690025 57.543 GPRESSAVG: 550400 -22.817 -7.94191 35.5206 -10.5817 -7.467 0.0122778 38.298 1.46129 56.3239 TIMING: 550400 CPU: 1628.98, 0.00298303/step Wall: 1628.98, 0.00298303/step, 3.68703 hours remaining, 206.050781 MB of memory in use. ENERGY: 550400 728.3873 2102.2028 1941.2315 109.5709 -206243.0636 17786.7188 0.0000 0.0000 33964.0421 -149610.9101 296.6164 -183574.9522 -149515.8538 298.0302 -9.3039 22.9743 556878.9364 8.8019 8.6800 PRESSURE: 550600 -136.891 -72.633 47.796 -72.6337 3.64718 44.9618 47.7964 44.9611 30.3816 GPRESSURE: 550600 -91.5671 -133.412 54.1182 -9.53768 37.9014 -28.3434 69.9087 32.632 40.5891 PRESSAVG: 550600 -19.4222 46.3824 96.3966 46.3824 -11.1336 -19.5605 96.3967 -19.5604 12.4862 GPRESSAVG: 550600 -20.3201 45.0686 95.7855 47.7676 -11.3082 -19.3553 97.8711 -18.5228 13.5181 TIMING: 550600 CPU: 1629.57, 0.00296533/step Wall: 1629.57, 0.00296533/step, 3.66498 hours remaining, 206.050781 MB of memory in use. ENERGY: 550600 722.2606 2107.2049 1964.1980 112.6529 -206288.3845 17806.8528 0.0000 0.0000 34132.1279 -149443.0873 298.0844 -183575.2152 -149345.3803 298.0989 -34.2873 -4.3589 557183.4465 -6.0232 -6.0367 PRESSURE: 550800 -0.71255 -144.696 105.385 -144.696 -194.428 10.106 105.385 10.1071 -115.119 GPRESSURE: 550800 34.007 -140.034 143.877 -167.45 -163.689 30.1228 76.8903 11.5924 -80.4039 PRESSAVG: 550800 -55.8832 4.6452 23.3136 4.64517 27.912 -33.6466 23.3136 -33.6468 -5.72424 GPRESSAVG: 550800 -56.1288 3.62852 22.3032 4.93775 28.6337 -34.1681 23.1227 -35.8282 -5.78763 TIMING: 550800 CPU: 1630.16, 0.00296454/step Wall: 1630.16, 0.00296454/step, 3.66384 hours remaining, 206.050781 MB of memory in use. ENERGY: 550800 761.4698 2181.4959 1970.4493 120.6445 -206336.1471 17762.6155 0.0000 0.0000 34318.0319 -149221.4403 299.7079 -183539.4722 -149133.5646 299.4489 -103.4197 -70.0288 557628.4333 -11.2318 -11.0942 PRESSURE: 551000 66.2625 74.0936 -22.332 74.094 91.8933 -27.6916 -22.3337 -27.691 -172.769 GPRESSURE: 551000 119.22 15.0838 -11.6698 101.355 101.127 25.063 -29.1803 -166.196 -151.68 PRESSAVG: 551000 -32.5294 3.85273 0.59703 3.8527 17.7768 23.3856 0.596968 23.3856 -1.12248 GPRESSAVG: 551000 -32.0125 3.35416 1.95103 5.18402 17.1513 23.8014 -0.580094 24.1317 -1.49924 TIMING: 551000 CPU: 1630.75, 0.00294666/step Wall: 1630.75, 0.00294666/step, 3.64158 hours remaining, 206.050781 MB of memory in use. ENERGY: 551000 761.4683 2162.3489 1935.8339 118.2158 -206303.4355 17776.0217 0.0000 0.0000 34328.4492 -149221.0977 299.7989 -183549.5469 -149133.3296 299.4639 -4.8710 22.8889 555097.3934 -5.2917 -5.4535 PRESSURE: 551200 70.9344 13.0854 10.1866 13.0861 51.8139 270.455 10.1874 270.454 32.4885 GPRESSURE: 551200 90.0882 0.535353 104.458 41.4187 115.512 197.954 80.8649 282.295 45.0661 PRESSAVG: 551200 -36.5024 -8.71562 24.9557 -8.71554 68.6528 -35.579 24.9556 -35.5788 -55.3965 GPRESSAVG: 551200 -36.3448 -6.22986 24.4095 -11.0912 68.7797 -35.9674 24.8189 -35.5267 -55.4319 TIMING: 551200 CPU: 1631.34, 0.00294702/step Wall: 1631.34, 0.00294702/step, 3.64186 hours remaining, 206.050781 MB of memory in use. ENERGY: 551200 769.3337 2115.8134 1965.6542 112.5842 -206406.6552 17907.5836 0.0000 0.0000 34247.6497 -149288.0365 299.0932 -183535.6862 -149192.7559 299.2290 51.7456 83.5556 555819.9384 -7.7487 -7.6657 PRESSURE: 551400 -29.6621 73.7394 -21.3847 73.7395 53.2807 74.7636 -21.3839 74.7619 -26.8849 GPRESSURE: 551400 6.6748 99.6798 19.7473 10.3196 68.0278 64.8331 -9.15841 85.0642 15.6589 PRESSAVG: 551400 6.98578 78.4537 -42.0795 78.4537 25.1799 1.52528 -42.0794 1.5253 -11.555 GPRESSAVG: 551400 6.6748 76.2562 -40.7452 78.925 25.3764 2.81866 -42.5101 0.596804 -11.0438 TIMING: 551400 CPU: 1631.93, 0.00294868/step Wall: 1631.93, 0.00294868/step, 3.64375 hours remaining, 206.050781 MB of memory in use. ENERGY: 551400 759.4750 2103.5760 1954.5641 121.5056 -206077.3377 17708.6661 0.0000 0.0000 34243.7305 -149185.8203 299.0590 -183429.5508 -149085.8611 299.0721 -1.0888 30.1205 556365.5477 6.8702 7.0025 PRESSURE: 551600 -96.4726 -54.5406 16.383 -54.5405 49.3694 -63.2392 16.3819 -63.2373 344.341 GPRESSURE: 551600 -47.3378 -85.2782 85.4233 -91.7399 133.527 -57.0417 -117.041 -17.2921 305.385 PRESSAVG: 551600 -6.43283 34.3454 -18.1967 34.3453 -6.14223 -16.294 -18.1966 -16.294 25.2045 GPRESSAVG: 551600 -6.12573 32.8347 -17.7874 35.7298 -6.07916 -17.1004 -17.448 -15.1554 24.623 TIMING: 551600 CPU: 1632.52, 0.00294853/step Wall: 1632.52, 0.00294853/step, 3.6434 hours remaining, 206.050781 MB of memory in use. ENERGY: 551600 755.2014 2128.0478 1950.7111 128.2885 -206016.3072 17808.4581 0.0000 0.0000 34167.5684 -149078.0319 298.3939 -183245.6004 -148976.5251 299.7829 99.0794 130.5248 556035.0865 4.2098 4.1394 PRESSURE: 551800 216.164 55.55 125.068 55.5491 -93.3602 189.088 125.068 189.088 248.431 GPRESSURE: 551800 190.598 29.9204 212.347 81.3201 -4.42697 146.32 105.269 232.848 279.278 PRESSAVG: 551800 1.80734 31.8904 18.0086 31.8903 12.5532 36.8426 18.0087 36.8426 -16.726 GPRESSAVG: 551800 1.60895 32.7408 17.0924 32.0542 12.985 36.6511 17.2658 38.7814 -16.5305 TIMING: 551800 CPU: 1633.12, 0.00296643/step Wall: 1633.12, 0.00296643/step, 3.66536 hours remaining, 206.050781 MB of memory in use. ENERGY: 551800 733.2318 2137.8241 1933.1307 108.9059 -206063.0843 17650.3303 0.0000 0.0000 34192.8964 -149306.7651 298.6151 -183499.6615 -149203.3693 299.2006 123.7450 155.1496 554725.6924 -0.7885 -0.6455 PRESSURE: 552000 169.345 -40.7502 -43.3558 -40.749 -195.264 -53.2259 -43.355 -53.2274 207.917 GPRESSURE: 552000 166.033 -48.7946 -134.299 -91.4403 -160.657 -112.528 23.2953 19.6272 275.867 PRESSAVG: 552000 33.9449 33.0712 -0.099186 33.0712 -60.0093 17.7438 -0.099219 17.7438 55.8263 GPRESSAVG: 552000 35.4461 34.52 -2.08054 30.0064 -60.9071 17.5028 1.67839 16.7732 54.7987 TIMING: 552000 CPU: 1633.71, 0.00297038/step Wall: 1633.71, 0.00297038/step, 3.67007 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: 552000 785.9997 2082.5094 1937.8056 113.3147 -206230.5066 17878.5384 0.0000 0.0000 34153.9943 -149278.3445 298.2753 -183432.3388 -149186.6569 299.3182 60.6658 93.7476 555621.1437 9.9206 9.7792 PRESSURE: 552200 151.006 136.668 119.82 136.667 -357.957 -116.873 119.821 -116.874 20.384 GPRESSURE: 552200 147.714 154.18 116.651 40.6867 -298.002 -124.185 156.838 -124.512 54.0963 PRESSAVG: 552200 70.4398 -11.0194 -20.1559 -11.0195 -74.3023 4.65066 -20.1558 4.65071 -8.33557 GPRESSAVG: 552200 69.3362 -11.3557 -19.3712 -7.88281 -74.1819 4.93205 -20.7616 3.59787 -7.15767 TIMING: 552200 CPU: 1634.3, 0.00296494/step Wall: 1634.3, 0.00296494/step, 3.66318 hours remaining, 206.050781 MB of memory in use. ENERGY: 552200 738.0876 2056.0477 2014.5076 106.5684 -205753.5171 17480.0148 0.0000 0.0000 34096.1444 -149262.1466 297.7701 -183358.2910 -149162.4449 298.9000 -62.1889 -32.0639 556248.1429 -4.0660 -4.0011 LDB: ============= START OF LOAD BALANCING ============== 1637.73 LDB: ============== END OF LOAD BALANCING =============== 1637.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1637.73 LDB: ============= START OF LOAD BALANCING ============== 1638.03 LDB: Largest compute 4820 load 0.030912 is 26.2% of average load 0.117885 LDB: Average compute 0.001716 is 1.5% of average load 0.117885 LDB: TIME 1638.03 LOAD: AVG 0.117885 MAX 0.199126 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.848 MB LDB: TIME 1638.03 LOAD: AVG 0.117885 MAX 0.199126 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.047 MB LDB: TIME 1638.03 LOAD: AVG 0.117885 MAX 0.199126 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.047 MB LDB: ============== END OF LOAD BALANCING =============== 1638.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1638.04 PRESSURE: 552400 222.937 -100.464 -80.6027 -100.462 41.3954 -44.0009 -80.6014 -44.0008 -130.472 GPRESSURE: 552400 243.238 -112.86 -53.0199 -46.8887 41.9901 9.17127 -130.035 -95.3631 -56.5074 PRESSAVG: 552400 -1.35451 -0.983133 21.3337 -0.98315 -43.7149 -24.8847 21.3338 -24.8849 15.6935 GPRESSAVG: 552400 -2.31291 -0.524393 20.0819 -3.41041 -43.9822 -24.6641 21.3745 -22.698 16.6033 TIMING: 552400 CPU: 1634.91, 0.00303512/step Wall: 1634.91, 0.00303512/step, 3.74972 hours remaining, 205.847656 MB of memory in use. ENERGY: 552400 721.7780 2140.0638 1958.5972 109.9588 -206293.2898 17933.4762 0.0000 0.0000 34186.1567 -149243.2591 298.5562 -183429.4158 -149144.5321 298.8021 44.6202 76.2403 557286.6829 -9.7920 -9.8973 PRESSURE: 552600 -388.997 129.694 -103.039 129.694 -185.751 73.0133 -103.041 73.0131 -289.712 GPRESSURE: 552600 -346.822 207.195 -96.8767 21.4463 -93.225 146.408 -165.681 10.9832 -320.183 PRESSAVG: 552600 -16.1628 35.0883 -24.8118 35.0884 38.6026 34.2108 -24.8119 34.2107 6.27373 GPRESSAVG: 552600 -14.7479 35.3402 -22.438 34.6386 38.3757 33.516 -25.3941 32.3351 4.65463 TIMING: 552600 CPU: 1635.51, 0.00299865/step Wall: 1635.51, 0.00299865/step, 3.7045 hours remaining, 205.847656 MB of memory in use. ENERGY: 552600 772.2255 2099.6838 1959.0371 107.2970 -205871.7133 17481.2477 0.0000 0.0000 34109.1353 -149343.0869 297.8836 -183452.2222 -149246.9637 298.8833 -288.1535 -253.4100 560017.1318 9.5712 9.4275 PRESSURE: 552800 271.564 121.94 59.5346 121.94 -6.31007 9.63979 59.5351 9.63984 193.191 GPRESSURE: 552800 283.68 37.3199 44.7018 106.254 42.441 9.70389 50.5315 7.54196 243.776 PRESSAVG: 552800 -28.357 11.9543 -41.1955 11.9544 30.0079 36.5511 -41.1955 36.5512 -12.1657 GPRESSAVG: 552800 -28.8986 10.2534 -41.6446 13.0266 30.1408 36.4453 -39.9927 36.1081 -11.9983 TIMING: 552800 CPU: 1636.11, 0.00297619/step Wall: 1636.11, 0.00297619/step, 3.67658 hours remaining, 205.847656 MB of memory in use. ENERGY: 552800 755.3109 2056.6769 1942.7520 110.6259 -206236.0761 17946.4825 0.0000 0.0000 34059.4548 -149364.7731 297.4497 -183424.2279 -149269.7683 298.7744 152.8149 189.9657 557152.7886 -3.5050 -3.5854 PRESSURE: 553000 87.3405 -117.701 180.643 -117.7 -134.198 -87.2669 180.643 -87.2663 -6.91927 GPRESSURE: 553000 90.6095 -108.361 63.4889 -54.0298 -153.957 -28.9611 157.75 -131.526 110.241 PRESSAVG: 553000 -20.5176 -6.94247 -16.2951 -6.94256 -31.2748 -4.08614 -16.2951 -4.08631 55.5329 GPRESSAVG: 553000 -20.8199 -7.19248 -18.7465 -6.32987 -31.3038 -3.60106 -17.1076 -4.06322 55.2965 TIMING: 553000 CPU: 1636.7, 0.002962/step Wall: 1636.7, 0.002962/step, 3.65889 hours remaining, 205.847656 MB of memory in use. ENERGY: 553000 743.1275 2106.1686 1952.2624 120.9263 -206313.4066 17908.4523 0.0000 0.0000 33913.4213 -149569.0482 296.1743 -183482.4696 -149474.6160 298.7996 -17.9257 15.6313 556903.5644 1.2468 1.0576 PRESSURE: 553200 124.883 -98.8674 134.396 -98.8673 -343.308 -67.6805 134.396 -67.6808 -62.1546 GPRESSURE: 553200 125.928 -138.197 40.4954 -8.20844 -336.551 -69.3523 73.1082 -93.9425 36.9589 PRESSAVG: 553200 -35.1314 -3.07903 23.9036 -3.07911 -22.655 36.1632 23.9036 36.1631 10.5116 GPRESSAVG: 553200 -34.5227 -2.0845 25.9054 -2.98048 -24.2467 38.2352 25.0557 35.3913 11.6578 TIMING: 553200 CPU: 1637.29, 0.00295935/step Wall: 1637.29, 0.00295935/step, 3.65546 hours remaining, 205.847656 MB of memory in use. ENERGY: 553200 739.2417 2063.5246 1934.7816 110.1401 -206042.1145 17558.0247 0.0000 0.0000 33997.8435 -149638.5583 296.9116 -183636.4018 -149536.7029 298.2794 -93.5264 -57.8879 555988.5191 -15.7583 -15.7039 PRESSURE: 553400 -3.43573 -99.2186 -31.2033 -99.218 94.0269 183.461 -31.2036 183.461 -14.3552 GPRESSURE: 553400 0.664441 -96.1981 -22.9939 -74.1596 174.467 232.383 12.8024 215.272 -7.44905 PRESSAVG: 553400 -5.5213 -28.9008 10.4251 -28.9008 56.5652 20.1307 10.4251 20.1307 -47.939 GPRESSAVG: 553400 -6.46587 -27.58 12.42 -29.071 58.2309 17.9095 9.12163 20.8741 -48.6324 TIMING: 553400 CPU: 1637.89, 0.00297876/step Wall: 1637.89, 0.00297876/step, 3.67927 hours remaining, 205.847656 MB of memory in use. ENERGY: 553400 714.8838 2082.7362 1966.2111 111.8017 -206406.8398 17818.8070 0.0000 0.0000 34061.3794 -149651.0206 297.4665 -183712.4000 -149559.1928 297.6122 25.4120 55.8942 555741.4925 1.0349 1.0442 PRESSURE: 553600 108.473 -107.081 -209.275 -107.08 -42.4129 67.0228 -209.274 67.0229 34.1133 GPRESSURE: 553600 119.717 -98.5259 -225.479 -101.26 23.4746 59.9639 -118.113 78.9783 60.9525 PRESSAVG: 553600 34.6772 -19.5745 -4.61357 -19.5744 8.16789 8.52652 -4.61358 8.52646 15.5175 GPRESSAVG: 553600 34.7758 -19.7088 -5.47846 -20.2412 8.22071 9.90313 -2.77209 9.17292 15.8744 TIMING: 553600 CPU: 1638.48, 0.00295459/step Wall: 1638.48, 0.00295459/step, 3.64924 hours remaining, 205.847656 MB of memory in use. ENERGY: 553600 726.6652 2081.2244 1947.3386 114.2264 -205983.1742 17730.8321 0.0000 0.0000 33927.3928 -149455.4947 296.2964 -183382.8875 -149359.6191 298.2116 33.3910 68.0480 556439.2021 19.4542 19.6236 PRESSURE: 553800 -374.875 51.5647 17.1072 51.5649 -229.696 96.0237 17.1066 96.0252 -79.2489 GPRESSURE: 553800 -343.66 56.8207 -1.28689 71.7924 -144.485 101.775 25.0642 95.08 -103.416 PRESSAVG: 553800 24.3717 39.5215 -25.5388 39.5216 62.0528 -6.93224 -25.5388 -6.93228 -42.9971 GPRESSAVG: 553800 24.2429 41.2962 -24.0896 41.1851 62.3633 -8.38609 -25.4929 -6.45671 -42.6332 TIMING: 553800 CPU: 1639.06, 0.00292967/step Wall: 1639.06, 0.00292967/step, 3.6183 hours remaining, 205.847656 MB of memory in use. ENERGY: 553800 763.1882 2095.1557 1927.2164 116.1336 -206161.6147 17612.5401 0.0000 0.0000 34172.9837 -149474.3969 298.4412 -183647.3806 -149374.2100 298.1219 -227.9400 -197.1868 556864.8256 14.4758 14.6577 PRESSURE: 554000 -27.6952 -16.7023 -2.54939 -16.7025 -91.502 102.337 -2.54989 102.337 4.5515 GPRESSURE: 554000 -30.4588 90.8628 -42.7059 -33.4766 -20.2308 70.6843 -17.6907 79.8111 40.0808 PRESSAVG: 554000 -12.6352 17.4382 -36.3257 17.4381 -14.319 7.97148 -36.3256 7.97157 4.55814 GPRESSAVG: 554000 -12.527 16.6001 -37.3573 13.7592 -14.5796 8.85898 -36.9676 8.23728 4.76582 TIMING: 554000 CPU: 1639.65, 0.00294899/step Wall: 1639.65, 0.00294899/step, 3.64201 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: 554000 758.7532 2045.1918 1971.5809 105.1268 -206329.2927 17846.3347 0.0000 0.0000 34202.0246 -149400.2807 298.6948 -183602.3053 -149305.5325 298.4857 -38.2152 -3.5363 557077.1469 -7.4654 -7.4469 PRESSURE: 554200 -201.477 -36.8408 207.984 -36.8415 193.863 -124.023 207.984 -124.024 -275.187 GPRESSURE: 554200 -183.032 -23.9708 149.258 33.3073 280.941 -123.768 230.781 -148.469 -277.151 PRESSAVG: 554200 -24.3219 -44.4113 13.7354 -44.4114 -4.06811 -53.6714 13.7354 -53.6714 22.1282 GPRESSAVG: 554200 -24.3566 -44.7707 12.3624 -41.4574 -3.59704 -52.6485 16.3995 -55.7496 22.0602 TIMING: 554200 CPU: 1640.25, 0.00297368/step Wall: 1640.25, 0.00297368/step, 3.67232 hours remaining, 205.847656 MB of memory in use. ENERGY: 554200 730.8065 2062.2067 1933.6273 105.5158 -206315.1267 17864.8172 0.0000 0.0000 34220.1815 -149397.9718 298.8534 -183618.1533 -149297.0725 299.0934 -94.2668 -59.7473 558144.8566 -2.0873 -1.9645 PRESSURE: 554400 172.935 -63.014 -144.585 -63.0137 -164.396 -57.5514 -144.584 -57.5518 -259.575 GPRESSURE: 554400 195.48 -140.057 -156.985 49.7326 -150.235 -53.2169 -172.03 -41.9762 -201.571 PRESSAVG: 554400 15.7597 74.5654 -13.8953 74.5654 -1.04478 -29.7581 -13.8953 -29.7583 -2.32912 GPRESSAVG: 554400 15.0017 75.8058 -13.0929 73.0185 -1.14121 -29.6258 -15.1259 -28.5898 -1.24554 TIMING: 554400 CPU: 1640.84, 0.00294208/step Wall: 1640.84, 0.00294208/step, 3.63314 hours remaining, 205.847656 MB of memory in use. ENERGY: 554400 714.9085 2082.8165 1928.6421 117.3101 -206027.3864 17676.8496 0.0000 0.0000 34205.2783 -149301.5813 298.7232 -183506.8596 -149206.9851 298.4756 -83.6786 -52.1087 558529.4333 4.1286 4.2050 PRESSURE: 554600 -282.966 -12.017 120.159 -12.0171 28.9745 -5.43969 120.16 -5.43932 -53.0941 GPRESSURE: 554600 -218.762 20.6209 183.045 -11.2068 51.9285 69.6066 151.999 -83.2626 -19.8323 PRESSAVG: 554600 -0.308541 -27.4858 5.52735 -27.4858 -23.4569 30.8846 5.52739 30.8847 1.28223 GPRESSAVG: 554600 -0.304259 -30.1197 6.98556 -25.3118 -23.275 29.2432 2.67178 30.2307 0.755146 TIMING: 554600 CPU: 1641.43, 0.00296631/step Wall: 1641.43, 0.00296631/step, 3.66289 hours remaining, 205.847656 MB of memory in use. ENERGY: 554600 725.4300 2067.1228 1972.3017 109.9161 -205911.8563 17668.8112 0.0000 0.0000 34157.0887 -149211.1857 298.3024 -183368.2744 -149106.7539 298.8631 -102.3617 -62.2220 559149.2482 -7.4944 -7.6080 PRESSURE: 554800 -163.38 74.1222 18.7058 74.1232 135.892 64.6783 18.7057 64.6781 -201.265 GPRESSURE: 554800 -131.954 -19.3837 44.9172 28.2646 154.359 100.061 -28.5773 104.39 -151.075 PRESSAVG: 554800 42.6078 -9.86997 -4.24698 -9.87006 -12.4141 41.4645 -4.24696 41.4645 9.07207 GPRESSAVG: 554800 42.8454 -7.07267 -5.06603 -13.154 -12.6959 41.1746 -3.51659 44.3072 9.09951 TIMING: 554800 CPU: 1642.02, 0.00298263/step Wall: 1642.02, 0.00298263/step, 3.68288 hours remaining, 205.847656 MB of memory in use. ENERGY: 554800 714.6469 2109.8388 1929.2554 102.7365 -206098.6625 17844.0207 0.0000 0.0000 34240.3195 -149157.8447 299.0292 -183398.1642 -149056.7336 299.5046 -76.2508 -42.8899 559875.4912 13.0886 13.0830 PRESSURE: 555000 -212.848 -66.9899 -45.5318 -66.99 -243.189 -61.8317 -45.5308 -61.8311 -388.607 GPRESSURE: 555000 -206.364 8.77372 -85.0596 -76.8073 -177.973 -56.6654 -47.9523 -20.4057 -359.833 PRESSAVG: 555000 -19.0449 -11.8318 -44.8177 -11.8318 12.7781 36.1945 -44.8179 36.1945 19.1989 GPRESSAVG: 555000 -18.5637 -12.2759 -46.5322 -9.80358 12.968 37.2737 -45.0575 35.5527 18.9008 TIMING: 555000 CPU: 1642.62, 0.00295808/step Wall: 1642.62, 0.00295808/step, 3.65241 hours remaining, 205.847656 MB of memory in use. ENERGY: 555000 787.1482 2098.3259 1934.1838 115.5477 -206021.4366 17583.8421 0.0000 0.0000 34308.6734 -149193.7156 299.6262 -183502.3890 -149092.4194 299.1265 -281.5483 -248.0568 560520.8383 4.3107 4.4350 PRESSURE: 555200 -176.035 33.4902 -74.7696 33.4899 -7.86346 102.753 -74.77 102.753 -176.974 GPRESSURE: 555200 -158.026 -53.1279 -66.7668 100.965 35.1294 66.7189 -37.3954 143.279 -134.071 PRESSAVG: 555200 -19.5517 -29.207 -5.62384 -29.2069 52.3122 -1.00461 -5.62391 -1.00463 9.95298 GPRESSAVG: 555200 -19.6814 -31.9722 -4.42693 -27.7209 51.8952 -0.429312 -3.07912 -2.04391 10.5072 TIMING: 555200 CPU: 1643.21, 0.00294303/step Wall: 1643.21, 0.00294303/step, 3.63366 hours remaining, 205.847656 MB of memory in use. ENERGY: 555200 747.0537 2096.0588 1909.6099 113.5059 -205812.8893 17669.2401 0.0000 0.0000 34189.9383 -149087.4827 298.5892 -183277.4210 -148982.9029 299.2346 -120.2907 -85.6558 559086.8527 14.2378 14.2403 PRESSURE: 555400 -202.408 175.195 -122.237 175.195 -40.912 105.587 -122.238 105.586 -18.9778 GPRESSURE: 555400 -192.553 176.796 -70.9252 152.99 29.1505 143.758 -138.813 95.0719 -6.42294 PRESSAVG: 555400 -93.0479 36.3759 11.2562 36.3759 33.2583 36.237 11.2562 36.2369 34.8019 GPRESSAVG: 555400 -94.1404 37.2663 10.515 35.2179 35.0262 34.7073 10.3384 36.6726 33.443 TIMING: 555400 CPU: 1643.79, 0.00293495/step Wall: 1643.79, 0.00293495/step, 3.62352 hours remaining, 205.847656 MB of memory in use. ENERGY: 555400 741.5984 2081.7215 1923.0776 107.9241 -205895.4118 17797.1206 0.0000 0.0000 34281.7237 -148962.2459 299.3908 -183243.9696 -148866.7907 299.4253 -87.4325 -56.6085 559105.3264 -8.3292 -8.5571 PRESSURE: 555600 145.173 100.38 138.894 100.38 199.623 111.581 138.894 111.581 -92.0449 GPRESSURE: 555600 159.738 101.867 150.571 127.66 261.964 136.453 98.2906 104.677 -58.8728 PRESSAVG: 555600 -9.34862 21.1169 -28.2509 21.117 -7.25307 27.7315 -28.2509 27.7314 4.13832 GPRESSAVG: 555600 -9.19179 19.9499 -28.3295 21.5598 -8.15572 26.471 -28.5787 29.4216 4.96788 TIMING: 555600 CPU: 1644.39, 0.00296923/step Wall: 1644.39, 0.00296923/step, 3.66568 hours remaining, 205.847656 MB of memory in use. ENERGY: 555600 744.6724 2125.6948 1932.3902 127.0459 -206471.2744 18276.8735 0.0000 0.0000 34253.6073 -149010.9902 299.1453 -183264.5975 -148917.4262 299.8441 84.2504 120.9429 559485.6440 -4.1545 -4.1265 PRESSURE: 555800 22.794 73.4074 -89.9034 73.4066 83.2699 37.9927 -89.9045 37.9908 259.437 GPRESSURE: 555800 45.8091 172.77 -82.4755 91.5994 79.4407 94.7971 -42.6293 -42.6238 339.147 PRESSAVG: 555800 -19.5425 42.9809 -44.3804 42.9809 31.8481 43.4019 -44.3804 43.402 -23.7406 GPRESSAVG: 555800 -19.8905 47.3031 -45.7476 42.5622 31.9308 43.4251 -43.2592 42.6837 -24.1051 TIMING: 555800 CPU: 1644.98, 0.00296683/step Wall: 1644.98, 0.00296683/step, 3.66255 hours remaining, 205.847656 MB of memory in use. ENERGY: 555800 733.7738 2098.1176 1924.2179 105.2597 -206326.0908 17893.1047 0.0000 0.0000 34439.2747 -149132.3424 300.7668 -183571.6171 -149034.0772 299.6726 121.8336 154.7989 559001.1004 -3.8117 -4.0216 PRESSURE: 556000 -228.463 69.2147 -176.654 69.2151 29.7483 91.9835 -176.654 91.9822 -26.2264 GPRESSURE: 556000 -144.52 98.3012 -243.709 -1.15693 31.1774 80.1918 -103.277 119.538 -13.9978 PRESSAVG: 556000 -27.7976 63.9496 -84.8495 63.9497 -59.2945 32.6582 -84.8494 32.6581 115.838 GPRESSAVG: 556000 -27.4317 61.4709 -84.2746 62.864 -61.1571 33.541 -84.7335 30.9842 117.092 TIMING: 556000 CPU: 1645.58, 0.00300137/step Wall: 1645.58, 0.00300137/step, 3.70503 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: 556000 741.9549 2118.7556 1971.4624 104.4679 -206012.1147 17792.3285 0.0000 0.0000 34123.8503 -149159.2953 298.0121 -183283.1456 -149064.5706 299.8692 -74.9805 -42.4469 558961.4720 9.5820 9.5010 PRESSURE: 556200 19.793 157.897 -55.3487 157.896 -169.819 102.554 -55.3486 102.556 -125.157 GPRESSURE: 556200 -8.45773 142.392 -26.5686 195.668 -108.038 23.0794 -39.2007 132.427 -66.8829 PRESSAVG: 556200 47.0217 14.0483 48.1759 14.0482 -40.3843 -34.6307 48.1757 -34.6307 -11.5485 GPRESSAVG: 556200 46.1193 13.9503 48.7 13.523 -39.0369 -33.971 47.1859 -33.7552 -12.5237 TIMING: 556200 CPU: 1646.17, 0.00297458/step Wall: 1646.17, 0.00297458/step, 3.67179 hours remaining, 205.847656 MB of memory in use. ENERGY: 556200 718.4637 2060.3917 1957.6603 116.0309 -206098.0849 17760.5110 0.0000 0.0000 34148.8564 -149336.1710 298.2305 -183485.0274 -149231.9117 298.9534 -91.7274 -61.1264 559137.7581 -1.6370 -1.8138 LDB: ============= START OF LOAD BALANCING ============== 1649.6 LDB: ============== END OF LOAD BALANCING =============== 1649.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1649.6 LDB: ============= START OF LOAD BALANCING ============== 1649.9 LDB: Largest compute 4820 load 0.030818 is 26.2% of average load 0.117831 LDB: Average compute 0.001719 is 1.5% of average load 0.117831 LDB: TIME 1649.91 LOAD: AVG 0.117831 MAX 0.196545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.336 MB LDB: TIME 1649.91 LOAD: AVG 0.117831 MAX 0.196545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.336 MB LDB: TIME 1649.91 LOAD: AVG 0.117831 MAX 0.196545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1649.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1649.91 PRESSURE: 556400 -30.8478 -3.23205 -14.2156 -3.23167 -165.346 97.1371 -14.2156 97.1362 -115.799 GPRESSURE: 556400 44.8006 -30.7636 7.70334 -4.32252 -140.713 62.8109 -114.989 75.0035 -104.96 PRESSAVG: 556400 -25.5659 16.5693 22.4928 16.5692 -41.0665 25.7423 22.4927 25.7421 33.6786 GPRESSAVG: 556400 -24.2922 16.7331 21.7091 16.7282 -41.5962 25.569 21.5376 25.3386 33.2497 TIMING: 556400 CPU: 1646.78, 0.00303692/step Wall: 1646.78, 0.00303691/step, 3.74857 hours remaining, 205.593750 MB of memory in use. ENERGY: 556400 773.1440 2082.1110 1958.1918 97.0523 -206356.9724 17839.6283 0.0000 0.0000 34146.5118 -149460.3331 298.2100 -183606.8449 -149367.8585 298.3338 -103.9975 -66.9575 557821.7199 -10.9846 -10.8796 PRESSURE: 556600 175.879 55.8752 -24.2977 55.8757 249.446 122.149 -24.2971 122.148 99.4012 GPRESSURE: 556600 206.179 19.4375 -74.157 67.7517 302.411 156.316 -78.7597 111.967 111.649 PRESSAVG: 556600 47.3049 -2.49161 -16.6932 -2.49153 -54.7121 -21.7477 -16.6932 -21.7477 22.9183 GPRESSAVG: 556600 46.5088 -1.9665 -16.5744 -2.34403 -54.2227 -21.0152 -16.5966 -21.0695 23.2418 TIMING: 556600 CPU: 1647.38, 0.0029735/step Wall: 1647.38, 0.0029735/step, 3.67012 hours remaining, 205.593750 MB of memory in use. ENERGY: 556600 747.7653 2120.5358 1922.6081 121.8784 -206612.8783 18059.8460 0.0000 0.0000 34128.8631 -149511.3816 298.0558 -183640.2447 -149418.5982 298.1097 174.9088 206.7467 558136.8724 5.1704 5.1760 PRESSURE: 556800 -127.208 95.3784 -80.3659 95.3791 -41.5216 -210.28 -80.3667 -210.281 -147.541 GPRESSURE: 556800 -130.204 149.506 -64.3644 19.1163 48.7449 -121.33 -132.015 -203.347 -137.533 PRESSAVG: 556800 -12.8571 -3.09141 -13.9386 -3.09135 -6.676 -1.12783 -13.9385 -1.1278 1.55085 GPRESSAVG: 556800 -12.7528 -4.1615 -13.6162 -1.95491 -5.73394 -0.26385 -13.0862 -1.62336 0.574832 TIMING: 556800 CPU: 1647.97, 0.00297847/step Wall: 1647.97, 0.00297847/step, 3.6761 hours remaining, 205.593750 MB of memory in use. ENERGY: 556800 715.2277 2125.9130 1915.9254 99.4176 -206049.1436 17708.4270 0.0000 0.0000 34078.8387 -149405.3943 297.6190 -183484.2330 -149313.8696 298.8798 -105.4235 -72.9975 557584.2935 -5.9941 -5.9707 PRESSURE: 557000 -131.639 -35.1997 -48.6379 -35.2 -115.11 -9.58246 -48.6374 -9.5804 187.959 GPRESSURE: 557000 -94.8461 50.0984 14.546 -38.7068 -75.2477 17.0101 -100.164 -93.5873 207.109 PRESSAVG: 557000 -105.487 -12.6505 -40.8367 -12.6506 13.641 -38.3096 -40.8368 -38.3095 77.832 GPRESSAVG: 557000 -105.39 -11.851 -40.01 -13.8021 12.7283 -38.282 -40.7689 -37.9325 78.5929 TIMING: 557000 CPU: 1648.57, 0.00296392/step Wall: 1648.57, 0.00296392/step, 3.65797 hours remaining, 205.593750 MB of memory in use. ENERGY: 557000 717.6749 2074.4902 1968.7055 120.3996 -206210.1201 17824.3689 0.0000 0.0000 34096.7520 -149407.7290 297.7754 -183504.4810 -149321.0980 298.8929 -19.5967 12.3383 558176.4890 -4.6713 -4.6896 PRESSURE: 557200 124.865 63.4877 170.776 63.4893 -42.9251 62.7758 170.776 62.7765 -74.6342 GPRESSURE: 557200 200.881 166.989 150.103 -11.9484 -20.9735 -2.0474 155.445 79.2734 -75.335 PRESSAVG: 557200 -51.0541 45.1017 -17.9097 45.1015 3.74139 34.3306 -17.9098 34.3306 0.258339 GPRESSAVG: 557200 -51.3629 43.2135 -17.2137 47.1402 3.3023 31.6384 -20.468 35.8115 1.21008 TIMING: 557200 CPU: 1649.16, 0.00295325/step Wall: 1649.16, 0.00295325/step, 3.64464 hours remaining, 205.593750 MB of memory in use. ENERGY: 557200 765.8622 2040.6615 1958.0009 120.7683 -206395.3795 17930.0489 0.0000 0.0000 34316.8438 -149263.1940 299.6975 -183580.0378 -149174.2965 299.2610 2.4353 34.8574 557862.5745 -15.6848 -15.6168 PRESSURE: 557400 -25.5277 95.2019 55.1536 95.2026 -122.648 -29.6928 55.1541 -29.6913 206.644 GPRESSURE: 557400 15.544 100.298 63.6053 120.265 -79.0196 53.1319 -40.831 -27.263 203.629 PRESSAVG: 557400 25.5274 -22.8016 -21.7861 -22.8016 -55.5637 33.659 -21.7862 33.6589 8.2145 GPRESSAVG: 557400 25.9609 -20.9113 -20.5417 -23.0251 -55.6453 35.4213 -21.8303 31.8721 6.97217 TIMING: 557400 CPU: 1649.75, 0.00295488/step Wall: 1649.75, 0.00295488/step, 3.64648 hours remaining, 205.593750 MB of memory in use. ENERGY: 557400 713.2413 2110.8739 1946.9049 118.5201 -205936.5133 17609.2601 0.0000 0.0000 34277.0993 -149160.6137 299.3504 -183437.7130 -149070.4266 299.1070 19.4891 46.7176 558386.5207 -7.2740 -7.5707 PRESSURE: 557600 -140.118 73.2493 -30.7004 73.2493 -187.665 0.802633 -30.7006 0.802956 -62.519 GPRESSURE: 557600 -45.2276 -60.3347 -10.6347 108.393 -116.7 43.6032 -106.536 55.2272 -111.166 PRESSAVG: 557600 18.2951 1.88933 15.7787 1.88932 -29.6164 15.1648 15.7787 15.1648 29.1831 GPRESSAVG: 557600 18.8457 -1.06855 14.4504 0.753197 -30.257 15.0868 17.0529 14.3361 28.7039 TIMING: 557600 CPU: 1650.34, 0.00297587/step Wall: 1650.34, 0.00297586/step, 3.67222 hours remaining, 205.593750 MB of memory in use. ENERGY: 557600 690.6927 2095.6512 1945.7384 115.8623 -205926.1453 17585.9591 0.0000 0.0000 34411.3157 -149080.9258 300.5226 -183492.2416 -148985.4713 299.7568 -130.1009 -91.0314 557763.8098 5.9539 5.7642 PRESSURE: 557800 -121.278 149.534 -97.3074 149.535 -106.281 -54.1835 -97.3079 -54.1829 -36.0386 GPRESSURE: 557800 -9.33427 205.556 -85.341 186.674 -92.4456 1.52303 -87.902 -7.68332 -67.0457 PRESSAVG: 557800 19.7161 7.81716 27.4161 7.81716 -105.743 61.8797 27.4161 61.8798 42.429 GPRESSAVG: 557800 18.9807 12.2443 26.9926 7.49245 -106.259 61.457 28.5298 62.9373 43.9614 TIMING: 557800 CPU: 1650.94, 0.00297519/step Wall: 1650.94, 0.00297519/step, 3.67122 hours remaining, 205.593750 MB of memory in use. ENERGY: 557800 754.1535 2103.6561 1968.6936 111.0613 -206029.9992 17695.1104 0.0000 0.0000 34213.8471 -149183.4772 298.7980 -183397.3243 -149083.8167 299.2536 -87.8657 -56.2752 557120.0005 -14.5327 -14.4388 PRESSURE: 558000 -72.6625 -241.9 -127.031 -241.899 -296.279 18.48 -127.032 18.4796 -27.0557 GPRESSURE: 558000 -60.0455 -283.1 -130.299 -266.399 -305.964 -115.882 -96.4198 148.906 53.4203 PRESSAVG: 558000 -6.02733 21.7942 -24.252 21.7943 -42.3913 74.8385 -24.2521 74.8386 57.0738 GPRESSAVG: 558000 -7.15345 19.1293 -23.9005 21.9149 -42.2417 73.9417 -24.9942 75.9501 57.0625 TIMING: 558000 CPU: 1651.53, 0.00298564/step Wall: 1651.53, 0.00298564/step, 3.68395 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: 558000 723.2172 2120.5528 1932.7424 118.6540 -205785.6477 17629.3965 0.0000 0.0000 34137.2149 -149123.8699 298.1288 -183261.0848 -149033.8575 299.1097 -131.9990 -104.1964 559728.4574 2.8850 2.5558 PRESSURE: 558200 -215.7 33.5471 -47.2486 33.5478 -43.4675 100.223 -47.2481 100.223 -207.707 GPRESSURE: 558200 -192.083 87.8836 -86.9882 68.8863 -61.0195 86.7704 39.8072 118.91 -108.288 PRESSAVG: 558200 10.3245 28.675 -61.1015 28.675 -3.65302 51.1346 -61.1014 51.1345 -54.4591 GPRESSAVG: 558200 10.5579 28.9719 -62.4035 30.5013 -3.476 50.9194 -61.1027 50.0589 -55.0166 TIMING: 558200 CPU: 1652.13, 0.00298654/step Wall: 1652.13, 0.00298654/step, 3.68489 hours remaining, 205.593750 MB of memory in use. ENERGY: 558200 755.9284 2113.8899 1960.5296 118.0490 -206148.8427 17768.3656 0.0000 0.0000 34271.7430 -149160.3372 299.3037 -183432.0802 -149063.0320 298.7144 -155.6248 -120.4632 558764.3452 -15.9292 -15.9782 PRESSURE: 558400 123.541 54.2384 -40.3781 54.2385 365.944 26.5266 -40.3777 26.526 197.804 GPRESSURE: 558400 159.201 4.51023 -39.2775 55.4775 328.55 0.747124 -49.055 -85.3679 293.025 PRESSAVG: 558400 -75.1061 14.7456 8.32913 14.7456 48.6226 55.4934 8.32927 55.4935 10.2174 GPRESSAVG: 558400 -75.9338 17.5397 9.38055 12.3172 48.846 55.7005 8.29085 54.6896 10.461 TIMING: 558400 CPU: 1652.73, 0.00300184/step Wall: 1652.73, 0.00300184/step, 3.7036 hours remaining, 205.593750 MB of memory in use. ENERGY: 558400 775.2421 2031.3321 1976.8172 124.0056 -206689.2584 18210.1239 0.0000 0.0000 34438.5946 -149133.1429 300.7608 -183571.7375 -149035.8461 299.1354 229.0961 260.2587 556976.1007 -5.4220 -5.5422 PRESSURE: 558600 -237.559 29.0394 80.9785 29.0395 -202.697 26.7631 80.9778 26.7616 122.643 GPRESSURE: 558600 -182.584 38.628 99.8295 -13.8911 -223.5 12.7453 48.24 92.6625 189.323 PRESSAVG: 558600 -32.0239 29.7636 -12.3192 29.7635 -4.86734 2.85299 -12.3193 2.85308 82.4389 GPRESSAVG: 558600 -30.6887 27.3587 -12.8542 31.1466 -5.71854 3.86824 -11.8456 2.93215 82.1721 TIMING: 558600 CPU: 1653.33, 0.00296724/step Wall: 1653.33, 0.00296724/step, 3.66075 hours remaining, 205.593750 MB of memory in use. ENERGY: 558600 746.6183 2103.1970 1935.7254 104.6198 -206303.5292 17748.3884 0.0000 0.0000 34487.6364 -149177.3440 301.1891 -183664.9804 -149081.2818 299.7416 -105.8710 -72.2536 559035.6692 15.1826 15.2549 PRESSURE: 558800 -178.934 -103.752 -34.377 -103.752 -102.064 -67.5425 -34.377 -67.5427 -346.292 GPRESSURE: 558800 -201.733 -47.741 -39.014 -178.018 -35.1136 -69.924 -138.63 -137.61 -289.205 PRESSAVG: 558800 49.2225 37.323 -46.4163 37.3231 13.9041 22.9222 -46.4163 22.9221 -29.7444 GPRESSAVG: 558800 49.4259 36.8344 -47.9794 37.0018 14.5192 22.6162 -46.1439 24.4328 -31.1086 TIMING: 558800 CPU: 1653.92, 0.00296263/step Wall: 1653.92, 0.00296263/step, 3.6549 hours remaining, 205.593750 MB of memory in use. ENERGY: 558800 743.6417 2055.5561 1924.4110 119.0798 -205947.7197 17633.3791 0.0000 0.0000 34265.7321 -149205.9199 299.2512 -183471.6520 -149109.4397 299.7707 -209.0965 -175.3504 559323.1215 11.1274 10.9455 PRESSURE: 559000 -171.336 -58.8937 -55.1833 -58.8932 -225.865 33.178 -55.1821 33.1766 -136.789 GPRESSURE: 559000 -144.22 -150.859 -23.905 -25.0705 -184.29 -2.06836 -28.5895 3.79343 -98.8421 PRESSAVG: 559000 -21.8476 -25.9219 -10.1319 -25.9219 -46.6067 -28.1051 -10.1318 -28.1049 87.9106 GPRESSAVG: 559000 -22.3381 -23.7559 -8.85389 -25.2956 -46.3752 -29.1504 -10.5852 -28.471 87.9196 TIMING: 559000 CPU: 1654.51, 0.00295357/step Wall: 1654.51, 0.00295357/step, 3.64356 hours remaining, 205.593750 MB of memory in use. ENERGY: 559000 763.4266 2113.4302 1980.9595 111.5987 -206098.3206 17762.6892 0.0000 0.0000 34266.3408 -149099.8755 299.2565 -183366.2163 -149006.3068 299.3734 -177.9965 -142.4507 558933.3468 6.4854 6.4021 PRESSURE: 559200 -36.4054 48.9943 -76.4922 48.9928 44.7379 -23.5047 -76.4931 -23.5061 -56.1663 GPRESSURE: 559200 -39.8977 83.6314 -62.8461 114.594 84.1643 -57.6382 21.0788 19.5221 2.77501 PRESSAVG: 559200 -25.4954 24.1572 56.9455 24.1572 4.61396 0.0733622 56.9455 0.073228 17.4296 GPRESSAVG: 559200 -26.6645 24.1314 58.03 24.9497 5.12109 -1.23459 57.0115 -0.549862 18.7486 TIMING: 559200 CPU: 1655.1, 0.00296464/step Wall: 1655.1, 0.00296464/step, 3.65705 hours remaining, 205.593750 MB of memory in use. ENERGY: 559200 748.1993 2106.5891 1957.0940 122.6601 -206110.7939 17847.5765 0.0000 0.0000 34232.4207 -149096.2541 298.9602 -183328.6748 -149002.5868 299.5410 -15.9446 15.6805 558481.5023 -1.1506 -0.9316 PRESSURE: 559400 53.1316 -62.1609 -257.493 -62.1622 94.8975 -2.50824 -257.493 -2.50763 -105.354 GPRESSURE: 559400 89.7162 -42.7966 -285.25 -97.9639 117.781 -24.8059 -208.943 27.1386 -69.6059 PRESSAVG: 559400 -29.6393 -1.25057 0.730554 -1.2506 -2.49334 36.3765 0.730574 36.3765 -12.157 GPRESSAVG: 559400 -28.5213 -5.25353 0.776791 1.3779 -2.47418 38.3008 1.79556 36.4061 -13.0134 TIMING: 559400 CPU: 1655.7, 0.0029695/step Wall: 1655.7, 0.0029695/step, 3.66288 hours remaining, 205.593750 MB of memory in use. ENERGY: 559400 765.7271 2038.7771 1957.0888 128.2548 -205946.3852 17841.6401 0.0000 0.0000 34402.7454 -148812.1519 300.4477 -183214.8973 -148709.2926 300.2861 14.2252 45.9636 558277.4822 -14.7632 -14.6696 PRESSURE: 559600 -162.36 93.7086 -138.431 93.7101 -54.1015 50.4399 -138.43 50.4397 82.1698 GPRESSURE: 559600 -100.139 72.6616 -110.753 77.0706 -26.8701 99.9322 -172.014 32.052 98.2862 PRESSAVG: 559600 16.8219 34.6113 -21.3796 34.6113 33.8817 40.4911 -21.3796 40.4911 -11.0669 GPRESSAVG: 559600 16.4367 36.4199 -22.1851 31.755 33.7756 38.701 -22.3972 42.528 -10.45 TIMING: 559600 CPU: 1656.29, 0.00298472/step Wall: 1656.29, 0.00298472/step, 3.68149 hours remaining, 205.593750 MB of memory in use. ENERGY: 559600 784.8261 2105.6750 1974.2177 131.3598 -205904.6295 17836.8470 0.0000 0.0000 34354.5888 -148717.1150 300.0272 -183071.7038 -148625.5980 300.2394 -44.7638 -9.5743 558033.3530 13.2122 13.2541 PRESSURE: 559800 138.648 -66.478 -53.1934 -66.4776 234.69 -33.3174 -53.1935 -33.3167 280.837 GPRESSURE: 559800 195.801 -125.251 -92.0303 -119.331 262.251 -55.6657 1.01711 84.7952 299.548 PRESSAVG: 559800 -13.334 33.7238 -5.42225 33.7237 -8.69017 25.6631 -5.42229 25.6631 -22.4382 GPRESSAVG: 559800 -12.9004 32.6533 -4.59061 33.4759 -9.22109 28.1732 -3.53529 24.6586 -23.1551 TIMING: 559800 CPU: 1656.88, 0.00294962/step Wall: 1656.88, 0.00294962/step, 3.63802 hours remaining, 205.593750 MB of memory in use. ENERGY: 559800 757.7626 2156.8598 1927.8368 110.6836 -206619.7698 18129.3464 0.0000 0.0000 34551.6488 -148985.6319 301.7481 -183537.2807 -148893.0575 299.9957 218.0586 252.5334 556770.0189 -14.8208 -15.0922 PRESSURE: 560000 232.479 -99.5955 10.3942 -99.5969 125.143 -10.9335 10.3937 -10.9341 169.315 GPRESSURE: 560000 316.796 -71.3784 95.8916 -44.3582 148.792 -38.5375 14.251 -32.7888 169.391 PRESSAVG: 560000 55.6141 -54.2535 -38.9473 -54.2536 -69.5784 24.5356 -38.9471 24.5357 27.1265 GPRESSAVG: 560000 55.8643 -53.0808 -37.9944 -52.4627 -70.1429 23.3257 -40.5281 24.9276 27.2675 TIMING: 560000 CPU: 1657.47, 0.00295349/step Wall: 1657.47, 0.00295349/step, 3.64264 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: 560000 756.7718 2068.8616 1956.0217 105.9985 -206206.0157 17970.5873 0.0000 0.0000 34289.6956 -149058.0792 299.4604 -183347.7748 -148960.9940 299.5850 175.6458 211.6599 557665.9059 4.3874 4.3296 PRESSURE: 560200 -87.6147 -123.599 6.334 -123.599 173.268 25.5494 6.33246 25.5499 -353.98 GPRESSURE: 560200 -53.3454 -128.004 8.97102 -104.137 207.72 94.6041 17.1059 -11.2612 -312.804 PRESSAVG: 560200 -16.0176 -73.93 1.68039 -73.9301 28.31 10.2418 1.68033 10.2415 30.4647 GPRESSAVG: 560200 -16.0329 -72.4867 1.46368 -76.5527 27.2772 11.9115 -0.727167 9.0289 31.0456 TIMING: 560200 CPU: 1658.07, 0.002999/step Wall: 1658.07, 0.002999/step, 3.6986 hours remaining, 205.593750 MB of memory in use. ENERGY: 560200 781.8228 2126.1706 1964.7770 124.1366 -206014.6854 17712.4247 0.0000 0.0000 34107.9628 -149197.3909 297.8733 -183305.3538 -149098.0365 299.0167 -89.4422 -52.8097 558073.3044 14.2524 14.0966 LDB: ============= START OF LOAD BALANCING ============== 1661.5 LDB: ============== END OF LOAD BALANCING =============== 1661.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1661.51 LDB: ============= START OF LOAD BALANCING ============== 1661.81 LDB: Largest compute 4820 load 0.029789 is 25.3% of average load 0.117912 LDB: Average compute 0.001712 is 1.5% of average load 0.117912 LDB: TIME 1661.81 LOAD: AVG 0.117912 MAX 0.198786 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.922 MB LDB: TIME 1661.81 LOAD: AVG 0.117912 MAX 0.198786 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: TIME 1661.81 LOAD: AVG 0.117912 MAX 0.198786 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: ============== END OF LOAD BALANCING =============== 1661.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1661.82 PRESSURE: 560400 -198.943 -67.0953 106.39 -67.0958 14.0597 67.0464 106.39 67.0447 87.479 GPRESSURE: 560400 -114.816 37.1953 190.272 -101.439 3.62964 74.5413 -32.1215 45.1389 120.674 PRESSAVG: 560400 -8.21601 -17.6218 -2.41477 -17.6218 2.67011 29.1967 -2.41483 29.1966 -0.840996 GPRESSAVG: 560400 -7.77027 -19.0536 -3.58332 -16.9249 1.99767 25.691 -0.684577 31.2616 -0.10864 TIMING: 560400 CPU: 1658.69, 0.00306742/step Wall: 1658.69, 0.00306742/step, 3.78281 hours remaining, 208.746094 MB of memory in use. ENERGY: 560400 769.9204 2063.0333 1985.4292 115.0089 -206387.9141 17974.5079 0.0000 0.0000 34280.7466 -149199.2678 299.3823 -183480.0144 -149099.1899 298.7071 -32.4682 3.1625 557868.3453 -2.1290 -1.9604 PRESSURE: 560600 -159.792 50.4335 -91.1101 50.4322 0.370788 -72.6461 -91.1086 -72.6449 -184.675 GPRESSURE: 560600 -133.138 11.7766 -11.8466 9.48873 65.6615 -104.383 -80.6891 -42.6619 -193.909 PRESSAVG: 560600 4.42537 -5.5729 85.2553 -5.57295 -66.3592 10.2951 85.2553 10.295 24.9009 GPRESSAVG: 560600 3.84577 -5.50227 83.9056 -5.1336 -65.5055 11.6065 85.511 8.90293 24.7382 TIMING: 560600 CPU: 1659.28, 0.00295527/step Wall: 1659.28, 0.00295527/step, 3.64433 hours remaining, 208.949219 MB of memory in use. ENERGY: 560600 812.6835 2080.8947 1965.1622 122.6482 -206108.2024 17725.4095 0.0000 0.0000 34369.4709 -149031.9334 300.1571 -183401.4044 -148933.6923 299.7782 -114.6989 -87.1283 559078.7116 -12.3443 -12.3072 PRESSURE: 560800 -183.909 14.151 43.7333 14.152 92.4135 -18.1755 43.7338 -18.1731 30.4265 GPRESSURE: 560800 -152.245 -3.99641 13.1618 -14.8861 87.513 -24.4594 -89.441 -17.3858 102.001 PRESSAVG: 560800 -40.4739 -57.7554 5.34767 -57.7553 56.7625 -15.663 5.34773 -15.6629 -15.8195 GPRESSAVG: 560800 -42.1464 -58.6713 8.30298 -58.6684 58.8804 -16.0249 6.33793 -16.6697 -16.7804 TIMING: 560800 CPU: 1659.87, 0.00297005/step Wall: 1659.87, 0.00297005/step, 3.6624 hours remaining, 208.949219 MB of memory in use. ENERGY: 560800 761.3708 2133.6739 1955.7148 107.7692 -205922.4610 17800.0438 0.0000 0.0000 34238.5265 -148925.3620 299.0136 -183163.8885 -148830.2882 299.8682 -20.3563 12.4230 558074.6728 0.1564 -0.0155 PRESSURE: 561000 53.3901 -72.7639 -121.944 -72.7638 -317.231 -56.6355 -121.944 -56.6339 -60.5231 GPRESSURE: 561000 82.7724 -91.6026 -86.8652 2.4781 -247.884 -174.599 -74.6003 -7.41563 -60.1935 PRESSAVG: 561000 14.1201 1.74291 -24.419 1.7428 -3.16775 17.3604 -24.4191 17.3604 13.8728 GPRESSAVG: 561000 15.5208 3.79188 -25.078 0.529882 -4.19817 18.2702 -25.097 18.9657 12.9987 TIMING: 561000 CPU: 1660.47, 0.00300898/step Wall: 1660.47, 0.00300898/step, 3.71023 hours remaining, 208.949219 MB of memory in use. ENERGY: 561000 758.3551 2136.0695 1953.1843 101.7646 -206219.1215 17713.5114 0.0000 0.0000 34546.9126 -149009.3240 301.7068 -183556.2366 -148911.5467 299.7962 -108.1214 -75.1017 558740.3750 8.2750 8.1071 PRESSURE: 561200 -164.504 -131.279 -119.135 -131.278 0.180748 -96.8088 -119.136 -96.8094 -386.417 GPRESSURE: 561200 -138.284 -120.898 -150.427 -77.0189 59.2935 -41.693 -172.285 -35.87 -378.008 PRESSAVG: 561200 -13.9397 2.76268 -39.2404 2.76266 6.54721 -35.9189 -39.2405 -35.919 -21.4638 GPRESSAVG: 561200 -13.9221 1.52968 -40.818 2.99615 6.99762 -36.1913 -39.9712 -38.4548 -22.1488 TIMING: 561200 CPU: 1661.07, 0.00300269/step Wall: 1661.07, 0.00300269/step, 3.70232 hours remaining, 208.949219 MB of memory in use. ENERGY: 561200 761.1764 2131.1475 1943.8966 121.5163 -205910.5457 17636.5127 0.0000 0.0000 34376.9576 -148939.3385 300.2225 -183316.2961 -148849.5027 299.6122 -183.5801 -152.3330 558166.6358 -9.6188 -9.6911 PRESSURE: 561400 -93.061 -40.9979 22.8801 -40.9988 112.032 98.7157 22.8807 98.7164 -103.399 GPRESSURE: 561400 7.9009 -14.8864 86.2059 -40.3026 71.4302 -18.598 -60.9827 83.7659 -67.1504 PRESSAVG: 561400 68.2196 -4.81078 -82.6401 -4.81073 -44.9024 0.613449 -82.6401 0.61342 -9.69613 GPRESSAVG: 561400 67.8704 -6.67668 -81.9058 -4.37954 -45.4409 0.609276 -82.4838 1.62851 -9.16195 TIMING: 561400 CPU: 1661.67, 0.002974/step Wall: 1661.67, 0.002974/step, 3.66678 hours remaining, 208.949219 MB of memory in use. ENERGY: 561400 768.6369 2098.2099 1954.1318 125.3882 -206026.8169 17765.0489 0.0000 0.0000 34264.1996 -149051.2015 299.2378 -183315.4012 -148947.1212 299.9809 -28.1428 4.0602 557855.7255 4.5404 4.4225 PRESSURE: 561600 93.9654 -11.7206 2.7344 -11.7204 -34.9288 72.812 2.73556 72.8103 75.1132 GPRESSURE: 561600 97.1017 61.1597 11.8371 -46.1289 15.3063 138.568 -28.5652 153.874 124.736 PRESSAVG: 561600 39.5904 -15.2311 -46.2486 -15.2311 -9.63781 -15.2161 -46.2486 -15.2162 -34.9809 GPRESSAVG: 561600 38.8916 -13.808 -45.0059 -15.2389 -10.313 -14.9609 -45.4948 -13.8797 -33.724 TIMING: 561600 CPU: 1662.27, 0.00298428/step Wall: 1662.27, 0.00298428/step, 3.67928 hours remaining, 208.949219 MB of memory in use. ENERGY: 561600 761.1964 2129.6424 1940.9409 103.6629 -206241.9581 18053.0892 0.0000 0.0000 34307.2092 -148946.2170 299.6134 -183253.4262 -148853.6779 299.7434 44.7166 79.0479 558066.7582 -1.6761 -1.7152 PRESSURE: 561800 -46.3772 200.164 -36.9926 200.166 -178.837 85.5456 -36.9922 85.5464 36.486 GPRESSURE: 561800 -31.5422 179.098 -4.72785 187.09 -125.427 82.9308 -54.3378 6.87617 46.6368 PRESSAVG: 561800 -41.202 51.6916 27.4481 51.6916 -41.5235 -38.3695 27.4482 -38.3695 107.667 GPRESSAVG: 561800 -40.1783 51.2005 27.5616 51.077 -41.9242 -37.4546 26.0724 -40.5426 107.204 TIMING: 561800 CPU: 1662.86, 0.00297281/step Wall: 1662.86, 0.00297281/step, 3.66498 hours remaining, 208.949219 MB of memory in use. ENERGY: 561800 713.5750 2075.8941 1959.6915 117.8472 -206011.5878 17693.0589 0.0000 0.0000 34409.8344 -149041.6866 300.5096 -183451.5210 -148947.3661 299.6484 -62.9095 -36.7775 558708.9864 8.3139 8.3671 PRESSURE: 562000 -100.837 13.5332 -27.3618 13.5334 37.8235 192.915 -27.3613 192.915 123.94 GPRESSURE: 562000 -83.8969 23.526 2.43725 -0.305379 74.2307 171.425 37.2857 180.484 186.783 PRESSAVG: 562000 24.6258 54.2324 19.0572 54.2323 -28.7511 -3.23794 19.0573 -3.23797 -12.1846 GPRESSAVG: 562000 24.2263 54.1954 18.1242 55.4814 -27.5155 -4.29734 20.002 -3.21045 -12.5637 TIMING: 562000 CPU: 1663.46, 0.00298086/step Wall: 1663.46, 0.00298086/step, 3.67474 hours remaining, 208.949219 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: 562000 712.5216 2155.1232 1970.2241 114.3370 -206158.9379 17785.9504 0.0000 0.0000 34346.3446 -149074.4370 299.9552 -183420.7816 -148981.2547 300.0091 20.3087 59.0390 558040.4510 -5.4366 -5.2843 PRESSURE: 562200 36.65 48.2327 -84.422 48.2329 -200.766 -43.6874 -84.4218 -43.6861 266.528 GPRESSURE: 562200 126.666 151.23 -20.3666 -60.8155 -192.553 -77.2488 -102.002 -27.5553 266.831 PRESSAVG: 562200 -19.9693 21.3922 23.227 21.3922 6.10639 2.17637 23.227 2.17623 9.98004 GPRESSAVG: 562200 -19.842 21.2537 23.9933 20.846 4.49557 0.930201 24.9728 2.53635 11.6888 TIMING: 562200 CPU: 1664.05, 0.00298445/step Wall: 1664.05, 0.00298445/step, 3.679 hours remaining, 208.949219 MB of memory in use. ENERGY: 562200 740.6757 2048.5701 1969.5269 116.9554 -206491.6052 17971.8735 0.0000 0.0000 34569.2341 -149074.7695 301.9017 -183644.0037 -148977.8668 300.2091 34.1372 66.9813 556539.1628 -1.2943 -1.2192 PRESSURE: 562400 -102.246 -86.8774 54.2967 -86.8771 -190.896 42.041 54.2981 42.0408 -159.966 GPRESSURE: 562400 -37.3458 -96.3694 8.36766 -117.479 -144.797 89.1755 59.7726 37.2575 -178.346 PRESSAVG: 562400 -30.0084 -7.67173 -9.60554 -7.67172 -28.2708 19.3962 -9.6055 19.3962 65.8762 GPRESSAVG: 562400 -30.1904 -5.86318 -8.26734 -8.50148 -27.5666 20.0149 -11.5056 19.7614 65.0852 TIMING: 562400 CPU: 1664.65, 0.00297326/step Wall: 1664.65, 0.00297326/step, 3.66504 hours remaining, 208.949219 MB of memory in use. ENERGY: 562400 791.7797 2100.7951 1962.6477 136.7655 -205963.1388 17772.5333 0.0000 0.0000 34334.7405 -148863.8770 299.8538 -183198.6176 -148768.0605 300.4848 -151.0360 -120.1632 559204.0491 2.5323 2.4427 PRESSURE: 562600 -84.6677 -187.228 31.0507 -187.228 -96.8762 -117.307 31.0502 -117.307 22.7756 GPRESSURE: 562600 -37.29 -158.691 32.9233 -111.296 -113.326 -118.33 46.4491 -80.516 92.8602 PRESSAVG: 562600 -3.03216 -12.2378 3.7519 -12.2377 -9.73918 -17.0138 3.75174 -17.0137 44.3765 GPRESSAVG: 562600 -3.04741 -9.94323 1.78921 -12.1419 -9.78312 -16.525 4.3682 -18.2737 44.9995 TIMING: 562600 CPU: 1665.24, 0.00294985/step Wall: 1665.24, 0.00294985/step, 3.63602 hours remaining, 208.949219 MB of memory in use. ENERGY: 562600 759.2743 2114.8243 1930.8316 114.3928 -206171.0735 17808.8912 0.0000 0.0000 34289.1273 -149153.7320 299.4555 -183442.8593 -149056.2829 299.3047 -52.9228 -19.2520 557866.9883 10.5350 10.7230 PRESSURE: 562800 309.318 104.52 69.1162 104.52 171.449 170.639 69.117 170.64 432.429 GPRESSURE: 562800 294.524 148.397 109.461 126.399 267 122.837 38.4798 135.634 443.306 PRESSAVG: 562800 2.50378 47.2226 -29.7021 47.2227 -21.1849 86.0283 -29.702 86.0284 40.6518 GPRESSAVG: 562800 3.01355 42.7074 -29.232 51.1582 -20.7829 86.2082 -28.7702 86.5354 39.3736 TIMING: 562800 CPU: 1665.82, 0.00293326/step Wall: 1665.82, 0.00293326/step, 3.61541 hours remaining, 208.949219 MB of memory in use. ENERGY: 562800 716.1604 2051.9723 1976.5550 111.8112 -206707.1600 18387.8231 0.0000 0.0000 34255.5972 -149207.2408 299.1627 -183462.8380 -149102.7057 298.8823 304.3987 334.9431 557637.0825 7.3236 7.2014 PRESSURE: 563000 -5.69898 -141.299 -72.2075 -141.298 276.199 20.4305 -72.2086 20.4297 59.6405 GPRESSURE: 563000 76.0064 -85.6187 -59.2254 -51.6647 214.344 58.1756 -96.0303 118.358 138.017 PRESSAVG: 563000 -17.8859 -11.1343 -23.4874 -11.1342 -17.8503 -39.628 -23.4875 -39.628 9.3108 GPRESSAVG: 563000 -19.4018 -8.72482 -22.6457 -14.0259 -18.3636 -39.1887 -25.7038 -38.7274 11.1852 TIMING: 563000 CPU: 1666.42, 0.00297015/step Wall: 1666.42, 0.00297015/step, 3.66071 hours remaining, 208.949219 MB of memory in use. ENERGY: 563000 714.7106 2081.2738 1963.1665 99.3188 -206435.8174 18052.2405 0.0000 0.0000 34219.0793 -149306.0280 298.8437 -183525.1072 -149215.8300 298.4465 110.0469 142.7893 557911.5290 -8.8085 -8.8600 PRESSURE: 563200 103.322 32.446 69.0439 32.4469 165.18 -43.0711 69.0445 -43.0717 323.539 GPRESSURE: 563200 163.04 67.4154 39.4914 11.2944 240.606 -107.122 54.6755 -79.4841 283.932 PRESSAVG: 563200 -18.1214 10.7507 -69.2775 10.7507 -6.19212 -9.35954 -69.2775 -9.35959 73.927 GPRESSAVG: 563200 -17.7741 9.03422 -70.8038 10.366 -4.828 -12.2243 -68.7534 -8.57943 73.0006 TIMING: 563200 CPU: 1667.01, 0.00295413/step Wall: 1667.01, 0.00295413/step, 3.6408 hours remaining, 208.949219 MB of memory in use. ENERGY: 563200 737.5108 2087.6657 1959.4652 129.4118 -206290.7819 18096.6743 0.0000 0.0000 34116.0903 -149163.9639 297.9443 -183280.0541 -149062.9479 299.0062 197.3470 229.1925 557647.8183 16.5378 16.7995 PRESSURE: 563400 -113.877 -141.228 3.14189 -141.227 170.48 142.875 3.14255 142.874 -199.202 GPRESSURE: 563400 -65.4041 -195.051 83.9205 -134.298 223.832 149.397 24.9197 217.767 -184.445 PRESSAVG: 563400 -41.495 39.6344 -0.0283576 39.6345 -19.5423 -31.021 -0.0283967 -31.0209 25.2178 GPRESSAVG: 563400 -40.1657 40.309 0.120708 40.8046 -20.4519 -29.3135 0.541324 -30.1093 25.2696 TIMING: 563400 CPU: 1667.6, 0.00293845/step Wall: 1667.6, 0.00293845/step, 3.62131 hours remaining, 208.949219 MB of memory in use. ENERGY: 563400 708.3930 2100.3926 1971.3201 107.8770 -205880.4100 17518.1417 0.0000 0.0000 34348.2642 -149126.0213 299.9719 -183474.2855 -149023.4083 299.7321 -47.5330 -8.6726 557867.0445 -11.9398 -11.7827 PRESSURE: 563600 120.373 3.41141 -65.7444 3.41156 16.8311 1.93058 -65.743 1.9309 21.8138 GPRESSURE: 563600 138.229 43.542 -65.6547 -42.96 30.7496 34.9835 -107.109 36.4287 91.5882 PRESSAVG: 563600 19.2958 -25.623 -19.4891 -25.623 -12.7814 -46.8304 -19.4891 -46.8304 55.2353 GPRESSAVG: 563600 17.7436 -26.0646 -19.1696 -25.8967 -12.9422 -46.8597 -20.118 -49.4775 56.3974 TIMING: 563600 CPU: 1668.19, 0.00294551/step Wall: 1668.19, 0.00294551/step, 3.62984 hours remaining, 208.949219 MB of memory in use. ENERGY: 563600 769.8532 2129.7490 1967.9292 109.9414 -206306.9779 17962.6156 0.0000 0.0000 34299.1548 -149067.7347 299.5430 -183366.8895 -148975.6885 300.0923 53.0060 86.8555 558860.9012 20.5833 20.3996 PRESSURE: 563800 -119.297 282.774 -147.425 282.773 -55.6599 -85.0931 -147.425 -85.0932 -109.002 GPRESSURE: 563800 -79.2721 356.399 -158.462 279.282 -85.5919 -174.167 -122.456 -61.7879 -28.4193 PRESSAVG: 563800 8.63838 -1.84014 19.2161 -1.84018 -9.76039 0.119253 19.2161 0.119214 26.7609 GPRESSAVG: 563800 9.19386 -1.38548 17.8374 -1.02029 -9.87596 0.376294 18.1812 0.2579 26.0711 TIMING: 563800 CPU: 1668.77, 0.00294602/step Wall: 1668.77, 0.00294602/step, 3.63032 hours remaining, 208.949219 MB of memory in use. ENERGY: 563800 756.0329 2170.1956 1955.2243 117.4953 -206473.0585 17991.9504 0.0000 0.0000 34210.1420 -149272.0179 298.7657 -183482.1600 -149174.6997 299.4742 -94.6530 -64.4278 558718.2071 8.5463 8.4630 PRESSURE: 564000 29.0252 58.8811 -63.9608 58.8811 -137.154 -38.2472 -63.9593 -38.2478 -61.2285 GPRESSURE: 564000 -8.02277 144.694 -10.0309 -18.7445 -82.7877 9.65548 -225.32 -94.5602 27.5736 PRESSAVG: 564000 26.8538 45.3637 -43.3325 45.3636 -32.6588 14.4903 -43.3324 14.4903 26.7528 GPRESSAVG: 564000 28.4482 44.1425 -41.1641 46.4675 -33.3914 16.2521 -40.6549 12.8986 26.0749 TIMING: 564000 CPU: 1669.36, 0.00294415/step Wall: 1669.36, 0.00294415/step, 3.62785 hours remaining, 208.949219 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: 564000 778.8076 2120.9865 1963.9058 129.0522 -206454.8447 17992.2293 0.0000 0.0000 34380.8690 -149088.9943 300.2567 -183469.8633 -148990.2087 300.0090 -56.4526 -21.0790 558178.9968 6.9826 7.0439 PRESSURE: 564200 17.9578 26.8475 -121.307 26.8456 -220.858 19.9514 -121.306 19.9515 -205.054 GPRESSURE: 564200 47.0584 -15.7053 -107.232 -31.3124 -227.837 72.204 -54.1592 91.8001 -137.517 PRESSAVG: 564200 -7.58432 25.0328 27.1186 25.0328 24.8509 30.3304 27.1185 30.3305 -72.9852 GPRESSAVG: 564200 -8.39755 25.0607 27.6289 22.7246 26.2458 29.0238 26.3873 30.9654 -73.6335 TIMING: 564200 CPU: 1669.96, 0.00296399/step Wall: 1669.96, 0.00296399/step, 3.65213 hours remaining, 208.949219 MB of memory in use. ENERGY: 564200 751.9408 2082.9591 1955.2632 115.1256 -206005.7237 17603.3450 0.0000 0.0000 34264.0577 -149233.0324 299.2365 -183497.0901 -149133.6043 299.8257 -135.9845 -106.0988 557341.4902 -18.5729 -18.5951 LDB: ============= START OF LOAD BALANCING ============== 1673.38 LDB: ============== END OF LOAD BALANCING =============== 1673.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1673.38 LDB: ============= START OF LOAD BALANCING ============== 1673.68 LDB: Largest compute 4820 load 0.032469 is 27.5% of average load 0.117913 LDB: Average compute 0.001710 is 1.5% of average load 0.117913 LDB: TIME 1673.69 LOAD: AVG 0.117913 MAX 0.197076 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.047 MB LDB: TIME 1673.69 LOAD: AVG 0.117913 MAX 0.197076 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.086 MB LDB: TIME 1673.69 LOAD: AVG 0.117913 MAX 0.197076 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.086 MB LDB: ============== END OF LOAD BALANCING =============== 1673.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1673.69 PRESSURE: 564400 15.6935 -154.01 -125.04 -154.011 -110.041 -40.4684 -125.042 -40.4691 -91.2573 GPRESSURE: 564400 108.643 -197.187 -96.0316 -36.9877 -119.715 22.3419 -71.7218 -68.3757 -74.8028 PRESSAVG: 564400 6.49666 -8.96889 8.56228 -8.96894 0.870722 35.0988 8.56226 35.0989 25.3645 GPRESSAVG: 564400 7.11354 -9.0052 7.42681 -7.21068 -0.414589 37.9084 8.62911 34.9344 25.2816 TIMING: 564400 CPU: 1670.56, 0.00303246/step Wall: 1670.56, 0.00303246/step, 3.73633 hours remaining, 204.699219 MB of memory in use. ENERGY: 564400 803.8672 2116.6066 1981.6528 126.6452 -206353.2452 17833.2100 0.0000 0.0000 34406.2545 -149085.0089 300.4784 -183491.2634 -148989.6449 299.2029 -61.8683 -28.6248 556433.9260 10.9106 10.6602 PRESSURE: 564600 96.7015 -138.708 -241.345 -138.707 16.1497 -141.718 -241.346 -141.717 59.3722 GPRESSURE: 564600 68.7779 -124.76 -276.892 -119.831 76.4309 -201.232 -198.531 -69.6945 123.626 PRESSAVG: 564600 -3.75089 -41.8328 -17.1314 -41.8327 -13.536 12.7116 -17.1315 12.7116 4.23256 GPRESSAVG: 564600 -5.44665 -40.9468 -18.5046 -43.1322 -13.1511 9.67547 -15.5312 12.1012 5.27137 TIMING: 564600 CPU: 1671.16, 0.00298016/step Wall: 1671.16, 0.00298016/step, 3.67172 hours remaining, 204.699219 MB of memory in use. ENERGY: 564600 722.6238 2112.2750 1964.6268 118.7284 -205999.1843 17825.0799 0.0000 0.0000 34120.4018 -149135.4486 297.9820 -183255.8504 -149045.9821 299.5687 57.4078 89.6115 557389.3810 -4.3514 -4.4421 PRESSURE: 564800 -309.504 -69.9603 -56.7314 -69.9596 48.0841 60.4892 -56.7313 60.4891 -235.569 GPRESSURE: 564800 -276.165 -37.8038 -33.2385 -92.085 72.8412 112.905 -5.13285 10.7584 -192.739 PRESSAVG: 564800 1.85593 -37.9121 4.61935 -37.9121 -15.4604 56.1921 4.61939 56.192 2.24154 GPRESSAVG: 564800 1.76282 -38.8861 5.73285 -36.8847 -15.2372 56.5099 2.80281 56.923 1.67206 TIMING: 564800 CPU: 1671.75, 0.00295622/step Wall: 1671.75, 0.00295622/step, 3.64206 hours remaining, 204.699219 MB of memory in use. ENERGY: 564800 736.1902 2093.6284 1967.1176 107.6891 -205833.9786 17623.3624 0.0000 0.0000 34124.9736 -149181.0172 298.0219 -183305.9909 -149086.9899 299.3412 -165.6631 -132.0210 558193.3188 -3.7876 -3.9341 PRESSURE: 565000 -74.1916 133.798 -40.9647 133.798 143.38 -31.0775 -40.9635 -31.0777 -192.031 GPRESSURE: 565000 -41.4672 73.6935 51.6044 74.2112 192.037 -5.47647 -118.542 -79.6096 -167.27 PRESSAVG: 565000 -25.694 -2.16768 33.8403 -2.16767 39.3563 30.2324 33.8404 30.2324 -43.5581 GPRESSAVG: 565000 -25.954 -2.69193 35.3822 -2.85517 38.9944 31.6582 32.316 31.2182 -43.0802 TIMING: 565000 CPU: 1672.35, 0.00297861/step Wall: 1672.35, 0.00297861/step, 3.66948 hours remaining, 204.699219 MB of memory in use. ENERGY: 565000 761.7680 2097.9960 1986.6101 106.8910 -206197.9308 17798.0364 0.0000 0.0000 34258.5815 -149188.0479 299.1887 -183446.6294 -149093.9659 299.1365 -40.9476 -5.5667 557646.7029 -9.9653 -10.0133 PRESSURE: 565200 269.835 23.549 -84.1518 23.5492 119.084 -106.403 -84.1525 -106.403 -227.379 GPRESSURE: 565200 234.162 100.162 -52.7119 7.29483 141.073 -70.7589 -109.188 -144.332 -124.496 PRESSAVG: 565200 -2.39201 -1.28496 12.2954 -1.28492 24.4564 -13.7857 12.2954 -13.7856 -50.4746 GPRESSAVG: 565200 -2.70533 -1.38676 11.2105 0.2271 24.4183 -14.8318 13.7005 -12.4032 -49.9634 TIMING: 565200 CPU: 1672.94, 0.00295028/step Wall: 1672.94, 0.00295028/step, 3.63442 hours remaining, 204.753906 MB of memory in use. ENERGY: 565200 758.9382 2097.7594 1974.3508 106.9889 -206417.0887 18049.9386 0.0000 0.0000 34216.2896 -149212.8231 298.8194 -183429.1127 -149110.9883 298.2264 53.8464 83.5796 557176.6507 -9.4701 -9.4168 PRESSURE: 565400 207.338 -48.1733 170.399 -48.175 -149.691 -66.7899 170.399 -66.7887 279.77 GPRESSURE: 565400 208.105 -94.8596 110.811 -107.626 -68.9653 34.1684 236.885 -76.3443 285.457 PRESSAVG: 565400 24.6471 44.8781 -20.1863 44.8782 -16.7545 4.33313 -20.1864 4.33318 -2.75612 GPRESSAVG: 565400 26.0048 46.0506 -20.1384 43.8885 -17.9088 3.5651 -21.4472 4.35603 -3.28386 TIMING: 565400 CPU: 1673.53, 0.00297773/step Wall: 1673.53, 0.00297773/step, 3.66806 hours remaining, 204.753906 MB of memory in use. ENERGY: 565400 728.1413 2149.2973 1940.2597 105.2468 -206522.4549 18053.9780 0.0000 0.0000 34354.0773 -149191.4546 300.0227 -183545.5319 -149092.3800 298.7301 112.4726 141.5323 558210.7259 1.7122 1.6041 PRESSURE: 565600 -25.8463 -14.7981 3.43464 -14.7976 41.9107 -8.43563 3.43512 -8.43744 -206.064 GPRESSURE: 565600 -47.5712 -3.35231 -45.3572 -19.3322 66.8057 71.6029 73.523 -88.3704 -107.136 PRESSAVG: 565600 -16.1427 14.0512 -12.3493 14.0512 -8.12808 22.0991 -12.3493 22.0991 -26.0107 GPRESSAVG: 565600 -16.7165 13.9957 -12.7113 14.7458 -7.54397 24.1597 -11.2505 20.0466 -25.9947 TIMING: 565600 CPU: 1674.12, 0.0029622/step Wall: 1674.12, 0.0029622/step, 3.64877 hours remaining, 204.753906 MB of memory in use. ENERGY: 565600 709.8104 2127.0184 1927.6662 118.7000 -206204.5393 17915.3181 0.0000 0.0000 34125.1063 -149280.9200 298.0230 -183406.0263 -149178.0556 298.5161 -63.3331 -29.3004 559335.2184 -16.7605 -16.7517 PRESSURE: 565800 -284.363 -109.032 35.2609 -109.031 -244.197 -127.207 35.2594 -127.207 -297.156 GPRESSURE: 565800 -315.153 -228.84 64.9792 -28.2104 -189.363 -40.5317 77.7708 -136.603 -217.175 PRESSAVG: 565800 -6.81221 -16.7306 -44.9091 -16.7305 -19.8482 8.53551 -44.9092 8.53565 54.9701 GPRESSAVG: 565800 -6.90235 -18.1639 -45.3993 -18.0221 -19.1017 8.19121 -44.3137 9.38994 53.7459 TIMING: 565800 CPU: 1674.72, 0.00298896/step Wall: 1674.72, 0.00298896/step, 3.68156 hours remaining, 204.753906 MB of memory in use. ENERGY: 565800 762.1011 2079.5475 1929.5024 118.0712 -205778.5131 17413.2622 0.0000 0.0000 34226.9670 -149249.0617 298.9126 -183476.0287 -149154.1632 298.8223 -275.2388 -240.5638 559985.5123 9.4366 9.2473 PRESSURE: 566000 11.9895 208.316 -65.6066 208.316 -290.2 103.299 -65.6067 103.298 -147.621 GPRESSURE: 566000 52.9042 139.495 -11.2175 278.308 -251.692 88.8967 -166.377 64.0562 -129.666 PRESSAVG: 566000 -27.7254 8.79552 -48.3676 8.7955 -31.4008 -4.76742 -48.3676 -4.76742 25.7736 GPRESSAVG: 566000 -27.3145 9.60481 -47.9368 8.90286 -32.2066 -4.70663 -49.5307 -5.0939 26.3339 TIMING: 566000 CPU: 1675.32, 0.00296855/step Wall: 1675.32, 0.00296855/step, 3.65626 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: 566000 736.3629 2116.1491 1920.1284 103.1898 -206446.3230 17871.6820 0.0000 0.0000 34470.1312 -149228.6796 301.0362 -183698.8108 -149122.6432 299.4651 -141.9438 -109.4846 559626.3977 -11.1175 -11.0624 PRESSURE: 566200 -62.0221 135.882 -33.5196 135.88 -61.627 -15.8268 -33.5202 -15.8269 -227.94 GPRESSURE: 566200 -65.5169 236.355 -73.3413 91.5076 -11.953 -34.5086 1.72288 4.66745 -187.495 PRESSAVG: 566200 32.2067 70.9741 -26.4162 70.9742 65.1567 -2.52972 -26.4162 -2.52964 -75.5497 GPRESSAVG: 566200 33.0112 71.9494 -25.79 71.0647 65.6616 -2.81486 -25.6734 -3.44333 -76.6145 TIMING: 566200 CPU: 1675.91, 0.00297864/step Wall: 1675.91, 0.00297864/step, 3.66852 hours remaining, 204.753906 MB of memory in use. ENERGY: 566200 741.7214 2063.3604 1950.4623 107.6284 -205783.2117 17527.2228 0.0000 0.0000 34130.0653 -149262.7511 298.0663 -183392.8163 -149167.5636 299.2368 -117.1963 -88.3217 557818.7925 7.2712 7.3528 PRESSURE: 566400 -28.9676 70.1931 -66.9097 70.1934 235.945 150.003 -66.9094 150.003 129.962 GPRESSURE: 566400 -39.108 48.1003 -96.6013 163.291 285.867 167.692 -63.7781 124.047 176.027 PRESSAVG: 566400 -9.38663 59.5882 -26.5064 59.5882 58.5678 9.55778 -26.5063 9.55789 -30.0599 GPRESSAVG: 566400 -9.64789 58.8588 -26.5909 59.058 57.5532 9.49859 -27.8163 12.6883 -28.6816 TIMING: 566400 CPU: 1676.51, 0.00297113/step Wall: 1676.51, 0.00297113/step, 3.65911 hours remaining, 204.753906 MB of memory in use. ENERGY: 566400 727.2423 2138.1797 1970.0077 107.8707 -206270.3281 17936.3782 0.0000 0.0000 34260.1281 -149130.5214 299.2022 -183390.6495 -149038.0044 299.8966 112.3131 140.9290 557026.4522 6.3738 6.4079 PRESSURE: 566600 76.0944 -62.3058 -15.3686 -62.3049 -105.061 136.112 -15.3682 136.111 -10.9327 GPRESSURE: 566600 91.5315 76.5171 -89.9087 -5.68188 -75.477 167.876 -21.9207 187.52 48.4917 PRESSAVG: 566600 12.7868 70.5114 4.52449 70.5113 23.5361 -3.15234 4.5245 -3.15238 -23.5997 GPRESSAVG: 566600 11.6119 70.2258 4.8846 70.4459 25.1204 -2.31837 5.08796 -7.12474 -24.045 TIMING: 566600 CPU: 1677.09, 0.00294106/step Wall: 1677.09, 0.00294106/step, 3.62191 hours remaining, 204.753906 MB of memory in use. ENERGY: 566600 739.2744 2046.0489 1962.8820 109.8857 -205990.2007 17748.9689 0.0000 0.0000 34118.0382 -149265.1025 297.9613 -183383.1407 -149169.8083 298.6470 -13.2997 21.5154 557723.2755 4.2411 4.2291 PRESSURE: 566800 230.454 18.6045 33.1902 18.6041 244.951 64.1454 33.1904 64.1452 70.5818 GPRESSURE: 566800 228.021 -14.8732 19.7348 100.538 248.695 34.9463 14.2464 76.4917 162.77 PRESSAVG: 566800 19.2885 72.8713 -41.0774 72.8713 28.4531 17.7363 -41.0774 17.7363 -14.6581 GPRESSAVG: 566800 19.5309 72.7748 -42.1808 74.4132 27.385 14.9778 -40.9883 20.273 -14.2428 TIMING: 566800 CPU: 1677.69, 0.00297172/step Wall: 1677.69, 0.00297172/step, 3.65951 hours remaining, 204.753906 MB of memory in use. ENERGY: 566800 710.6133 2062.4019 1959.3591 105.5208 -206718.5139 18098.9544 0.0000 0.0000 34290.3572 -149491.3072 299.4662 -183781.6643 -149390.6574 299.2679 181.9959 213.1619 557299.5093 11.0278 10.8910 PRESSURE: 567000 -40.3184 70.9642 -3.8106 70.9657 73.9377 -74.8788 -3.81184 -74.8791 52.7997 GPRESSURE: 567000 3.4323 54.3852 -10.9624 73.4355 98.4584 -8.03647 38.7588 -143.503 89.3069 PRESSAVG: 567000 56.5153 3.26532 6.48037 3.26544 -24.4647 31.1293 6.48038 31.1293 -1.4957 GPRESSAVG: 567000 58.6755 2.91498 6.77925 2.16118 -25.739 32.1035 7.30034 28.6845 -1.92311 TIMING: 567000 CPU: 1678.29, 0.00300402/step Wall: 1678.29, 0.00300402/step, 3.69912 hours remaining, 204.753906 MB of memory in use. ENERGY: 567000 717.0508 2055.8891 1947.1745 102.3231 -206400.0126 17844.0977 0.0000 0.0000 34235.6236 -149497.8538 298.9882 -183733.4774 -149407.9192 298.5575 28.8063 63.7325 558976.7726 10.1850 10.3378 PRESSURE: 567200 240.899 94.7494 -181.229 94.7484 88.0936 -37.1511 -181.23 -37.1518 -139.53 GPRESSURE: 567200 282.283 77.9644 -173.44 89.933 123.23 48.0659 -229.501 -93.7875 -130.229 PRESSAVG: 567200 -3.40607 25.4509 10.6568 25.4509 11.8499 31.9585 10.6568 31.9584 -13.2607 GPRESSAVG: 567200 -4.57309 26.748 10.6733 26.5828 12.689 33.0038 9.83579 31.9621 -13.1614 TIMING: 567200 CPU: 1678.88, 0.00297652/step Wall: 1678.88, 0.00297652/step, 3.66509 hours remaining, 204.753906 MB of memory in use. ENERGY: 567200 705.1293 2143.2136 1958.7425 107.1293 -206601.0944 17949.7067 0.0000 0.0000 33984.8435 -149752.3295 296.7981 -183737.1730 -149657.4325 297.8124 63.1542 91.7615 557292.2355 -1.6056 -1.6818 PRESSURE: 567400 224.791 -144.306 79.8187 -144.307 9.10424 -8.69169 79.8188 -8.69145 -63.726 GPRESSURE: 567400 267.489 -151.629 141.29 -68.3079 -4.39474 94.1256 74.2799 -67.9575 -12.726 PRESSAVG: 567400 36.387 18.1951 -32.0828 18.1952 -24.2626 -0.404569 -32.0828 -0.404577 -4.37539 GPRESSAVG: 567400 36.1046 16.0748 -32.2078 17.0263 -24.0088 0.995221 -30.9413 0.832454 -4.02793 TIMING: 567400 CPU: 1679.49, 0.00300864/step Wall: 1679.49, 0.00300864/step, 3.70447 hours remaining, 204.753906 MB of memory in use. ENERGY: 567400 744.4714 2046.7268 1930.9245 125.0491 -206630.2399 18156.0948 0.0000 0.0000 34078.5881 -149548.3853 297.6168 -183626.9734 -149450.0944 297.9374 56.7230 83.4561 557960.7017 2.5830 2.6893 PRESSURE: 567600 -41.3227 41.2391 50.4898 41.2397 -162.748 15.5292 50.4911 15.5298 -158.54 GPRESSURE: 567600 -16.954 53.2244 57.3616 -16.0331 -169.417 -11.6734 59.2289 28.9527 -80.4342 PRESSAVG: 567600 16.2314 -20.1438 -2.89072 -20.1437 -46.8448 8.12277 -2.89079 8.1228 30.7629 GPRESSAVG: 567600 15.8973 -18.6097 -1.36818 -20.7273 -46.4956 6.86111 -4.59915 8.39117 30.1976 TIMING: 567600 CPU: 1680.08, 0.00299025/step Wall: 1680.08, 0.00299025/step, 3.68166 hours remaining, 204.753906 MB of memory in use. ENERGY: 567600 730.3103 2080.6719 1944.1956 122.1890 -206233.7412 17714.8377 0.0000 0.0000 34185.7062 -149455.8305 298.5523 -183641.5367 -149355.3630 298.6664 -120.8700 -88.9351 558602.4327 0.0499 -0.1336 PRESSURE: 567800 28.3524 79.5387 -127.741 79.539 63.0441 -140.177 -127.743 -140.177 31.4177 GPRESSURE: 567800 68.8932 61.4017 -196.55 105.879 115.429 -100.184 -25.231 -154.623 43.4153 PRESSAVG: 567800 4.8847 -19.9728 8.34965 -19.9727 -53.9921 -4.14081 8.34974 -4.14085 43.1888 GPRESSAVG: 567800 4.86775 -20.6474 8.2475 -19.9717 -53.6801 -5.59247 7.47693 -3.93826 42.6218 TIMING: 567800 CPU: 1680.68, 0.00297552/step Wall: 1680.68, 0.00297552/step, 3.66336 hours remaining, 204.753906 MB of memory in use. ENERGY: 567800 776.2351 2110.0339 1958.7250 108.0599 -206372.8149 17910.7666 0.0000 0.0000 34236.5556 -149272.4387 298.9964 -183508.9944 -149179.7368 298.4342 40.9380 75.9124 557040.1349 -1.9729 -2.0635 PRESSURE: 568000 -204.203 160.451 -163.13 160.45 -396.321 -61.3063 -163.13 -61.3046 107.235 GPRESSURE: 568000 -196.074 67.3381 -166.166 196.615 -341.898 -49.911 -107.394 12.6609 143.484 PRESSAVG: 568000 -40.4303 -1.28952 3.25767 -1.28954 -7.56241 -28.7306 3.2577 -28.7307 54.1484 GPRESSAVG: 568000 -39.9461 -0.669313 1.62714 -1.37404 -8.3962 -27.869 5.06465 -26.6554 54.4996 TIMING: 568000 CPU: 1681.28, 0.0029963/step Wall: 1681.28, 0.0029963/step, 3.68878 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: 568000 724.2483 2143.9894 1928.5517 118.7310 -206003.5242 17486.5818 0.0000 0.0000 34162.3753 -149439.0468 298.3485 -183601.4221 -149337.9053 298.5678 -164.4300 -131.4962 556660.2643 2.0519 2.0524 PRESSURE: 568200 24.5184 -96.4966 -130.329 -96.4957 -41.9693 -6.77458 -130.327 -6.77365 146.583 GPRESSURE: 568200 86.2196 -103.159 -64.0129 -74.9224 -30.4913 -10.0462 -268.315 14.7427 178.631 PRESSAVG: 568200 18.596 -55.5811 -72.556 -55.5812 -86.2275 15.5456 -72.556 15.5457 70.8825 GPRESSAVG: 568200 17.2048 -57.2971 -72.7456 -55.1709 -86.1719 14.505 -72.0859 14.1529 72.3405 TIMING: 568200 CPU: 1681.87, 0.00298098/step Wall: 1681.87, 0.00298098/step, 3.66975 hours remaining, 204.753906 MB of memory in use. ENERGY: 568200 745.6567 2061.4733 1932.6744 112.9118 -206306.2670 17967.8423 0.0000 0.0000 34031.4292 -149454.2793 297.2049 -183485.7085 -149358.5117 298.0936 43.0440 78.1199 557558.3104 1.0837 1.1244 LDB: ============= START OF LOAD BALANCING ============== 1685.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1685.3 LDB: =============== DONE WITH MIGRATION ================ 1685.3 LDB: ============= START OF LOAD BALANCING ============== 1685.6 LDB: Largest compute 4820 load 0.030502 is 25.9% of average load 0.117820 LDB: Average compute 0.001703 is 1.4% of average load 0.117820 LDB: TIME 1685.61 LOAD: AVG 0.11782 MAX 0.196167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.777 MB LDB: TIME 1685.61 LOAD: AVG 0.11782 MAX 0.196167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.84 MB LDB: TIME 1685.61 LOAD: AVG 0.11782 MAX 0.196167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.84 MB LDB: ============== END OF LOAD BALANCING =============== 1685.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1685.61 PRESSURE: 568400 -125.573 9.45381 199.693 9.45322 5.28151 111.158 199.692 111.157 -241.812 GPRESSURE: 568400 -50.9413 -15.9009 136.902 -0.0539706 61.6465 118.913 148.592 78.7191 -281.258 PRESSAVG: 568400 -40.6719 18.7614 -16.1232 18.7613 -20.672 18.4818 -16.1232 18.4819 80.8427 GPRESSAVG: 568400 -40.6034 20.7506 -16.2953 19.8984 -21.1127 20.0884 -16.3293 17.1372 81.564 TIMING: 568400 CPU: 1682.48, 0.00304582/step Wall: 1682.48, 0.00304582/step, 3.74941 hours remaining, 206.101562 MB of memory in use. ENERGY: 568400 726.5076 2102.7026 1948.4263 111.2983 -205875.5599 17556.2489 0.0000 0.0000 34164.9821 -149265.3941 298.3713 -183430.3763 -149171.8910 297.6580 -120.7012 -90.1842 558160.0901 6.4996 6.6160 PRESSURE: 568600 -170.955 8.6432 -98.5248 8.64325 391.883 -74.2648 -98.5245 -74.2644 127.443 GPRESSURE: 568600 -77.8241 -24.0643 -38.5471 38.5552 381.199 -110.464 -103.528 -7.46298 139.519 PRESSAVG: 568600 -32.409 28.6879 25.4231 28.6879 28.6982 6.63419 25.4231 6.63417 22.132 GPRESSAVG: 568600 -31.3814 28.3615 26.444 28.6058 29.2836 6.18871 23.9385 7.27853 20.0954 TIMING: 568600 CPU: 1683.07, 0.00294874/step Wall: 1683.07, 0.00294874/step, 3.62973 hours remaining, 206.300781 MB of memory in use. ENERGY: 568600 760.5815 2092.7891 1918.5595 112.8330 -206420.2700 18012.6805 0.0000 0.0000 34352.8416 -149169.9849 300.0119 -183522.8265 -149074.3909 298.4949 116.1236 147.6313 556980.4597 6.1404 5.9992 PRESSURE: 568800 92.8775 -18.0945 -213.543 -18.0947 47.3344 -30.8305 -213.542 -30.8295 224.746 GPRESSURE: 568800 92.2428 -102.305 -189.474 42.3771 115.858 39.9447 -198.202 -80.9003 265.043 PRESSAVG: 568800 -15.0328 15.3886 43.9928 15.3887 6.29203 20.0821 43.9928 20.0821 -10.9398 GPRESSAVG: 568800 -14.3489 14.9439 43.5776 13.0893 6.84681 19.8622 42.2898 19.7128 -11.6997 TIMING: 568800 CPU: 1683.67, 0.00300313/step Wall: 1683.67, 0.00300313/step, 3.69652 hours remaining, 206.300781 MB of memory in use. ENERGY: 568800 728.1957 2114.2853 1960.7112 107.5103 -206685.4070 18225.8028 0.0000 0.0000 34344.3534 -149204.5483 299.9378 -183548.9017 -149110.5204 298.7449 121.6525 157.7145 559856.8075 -6.5602 -6.4006 PRESSURE: 569000 7.23989 72.6224 -59.7564 72.6235 -29.4394 -12.4472 -59.758 -12.448 -44.7051 GPRESSURE: 569000 -21.2596 3.29464 -118.656 29.5575 -3.2514 -54.8544 -1.48514 -42.6993 53.0133 PRESSAVG: 569000 -48.4627 31.8952 13.3183 31.8952 -30.5549 40.2981 13.3183 40.298 59.4052 GPRESSAVG: 569000 -48.137 32.6037 13.0706 31.3527 -31.9475 41.5999 16.1601 39.6561 60.1384 TIMING: 569000 CPU: 1684.27, 0.00296498/step Wall: 1684.27, 0.00296498/step, 3.64939 hours remaining, 206.300781 MB of memory in use. ENERGY: 569000 763.8129 2054.7818 1948.9148 101.1210 -206233.2139 17836.7250 0.0000 0.0000 34440.4416 -149087.4168 300.7769 -183527.8584 -148993.8564 299.3338 -22.3015 9.5007 557534.2749 -6.5375 -6.6487 PRESSURE: 569200 -409.971 -51.1768 43.7782 -51.177 -94.8803 -49.7725 43.7793 -49.7735 119.458 GPRESSURE: 569200 -371.516 -57.7893 80.3434 -0.695563 -58.2804 -128.708 18.4742 -32.778 136.35 PRESSAVG: 569200 56.3148 -28.2253 38.2606 -28.2254 -16.768 10.011 38.2606 10.0109 -14.5075 GPRESSAVG: 569200 55.5158 -28.9175 39.0718 -25.7678 -15.7169 9.8017 38.2477 10.1014 -14.5701 TIMING: 569200 CPU: 1684.87, 0.00300124/step Wall: 1684.87, 0.00300124/step, 3.69386 hours remaining, 206.300781 MB of memory in use. ENERGY: 569200 766.4051 2117.1364 1951.8093 109.0788 -205466.6460 17335.2309 0.0000 0.0000 34240.7034 -148946.2821 299.0326 -183186.9855 -148855.0044 299.9274 -128.4644 -97.8156 557780.7409 8.3464 8.4096 PRESSURE: 569400 -89.9945 -6.47172 171.471 -6.47106 16.833 -6.90597 171.47 -6.9069 127.515 GPRESSURE: 569400 -37.4545 -53.2201 168.805 31.3461 13.9375 21.6946 204.052 76.9267 164.927 PRESSAVG: 569400 2.4697 16.829 39.7247 16.829 -58.9834 21.4979 39.7247 21.4978 39.8352 GPRESSAVG: 569400 3.33835 17.4046 40.0824 15.2398 -59.1882 21.4519 39.5623 22.7244 40.1005 TIMING: 569400 CPU: 1685.46, 0.00297642/step Wall: 1685.46, 0.00297642/step, 3.66315 hours remaining, 206.300781 MB of memory in use. ENERGY: 569400 751.3507 2060.9318 1953.4661 107.4304 -205755.5593 17643.6696 0.0000 0.0000 34346.3120 -148892.3988 299.9549 -183238.7108 -148798.7061 299.9226 18.1179 47.1368 557777.0299 -5.5595 -5.2498 PRESSURE: 569600 -211.655 149.324 10.3109 149.324 -440.663 20.9454 10.3116 20.9461 -93.8307 GPRESSURE: 569600 -152.493 74.6252 41.9968 209.918 -372.979 -15.5931 -54.9175 71.1167 -121.304 PRESSAVG: 569600 -25.5341 -16.2909 28.3448 -16.291 17.7549 -46.0614 28.3447 -46.0615 15.4554 GPRESSAVG: 569600 -25.5482 -17.2097 26.5981 -14.9805 17.7887 -45.0744 28.5388 -47.1674 15.4752 TIMING: 569600 CPU: 1686.06, 0.00296287/step Wall: 1686.06, 0.00296288/step, 3.64631 hours remaining, 206.300781 MB of memory in use. ENERGY: 569600 764.4366 2063.5539 1967.5066 107.6246 -205693.3161 17362.5674 0.0000 0.0000 34442.8388 -148984.7881 300.7979 -183427.6269 -148883.5445 299.5239 -248.7163 -215.5923 556432.2160 2.5587 2.5719 PRESSURE: 569800 -40.0464 -107.776 -91.1595 -107.777 41.281 -14.8846 -91.1587 -14.8862 -137.347 GPRESSURE: 569800 27.1303 -153.613 -169.727 -68.0809 85.997 -124.077 -24.2019 70.184 -154.499 PRESSAVG: 569800 14.4179 -1.47592 -52.7349 -1.4758 -15.4083 7.13748 -52.7348 7.13742 24.1096 GPRESSAVG: 569800 14.7595 -0.929162 -53.4316 -3.00069 -15.2707 4.38923 -53.3001 8.9822 23.8868 TIMING: 569800 CPU: 1686.65, 0.0029717/step Wall: 1686.65, 0.0029717/step, 3.65701 hours remaining, 206.300781 MB of memory in use. ENERGY: 569800 760.7140 2104.0564 1965.4395 119.2733 -206075.0709 17766.8304 0.0000 0.0000 34149.5109 -149209.2464 298.2362 -183358.7574 -149115.0616 299.4789 -45.3708 -13.7905 558303.4918 7.7064 7.7919 PRESSURE: 570000 -118.528 -23.1983 -113.273 -23.198 -241.747 115.823 -113.273 115.823 -161.298 GPRESSURE: 570000 -101.279 -20.7035 -77.3375 12.933 -174.958 98.5178 -164.183 163.484 -151.588 PRESSAVG: 570000 21.3664 3.0789 -53.1038 3.07893 23.0917 -24.3712 -53.1038 -24.3712 -46.1579 GPRESSAVG: 570000 20.2747 3.57584 -50.5307 3.55933 22.8819 -22.0903 -53.9135 -25.9528 -44.1565 TIMING: 570000 CPU: 1687.24, 0.00295828/step Wall: 1687.24, 0.00295828/step, 3.64033 hours remaining, 206.300781 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: 570000 719.4045 2108.6779 1960.4379 103.7427 -206007.6951 17680.0257 0.0000 0.0000 34175.1311 -149260.2752 298.4599 -183435.4064 -149164.9915 298.8761 -173.8577 -142.6084 560291.1726 -0.5666 -0.3333 PRESSURE: 570200 83.2537 -56.8758 20.6352 -56.8757 407.053 -65.4338 20.6343 -65.4337 228.172 GPRESSURE: 570200 134.335 -153.787 -10.705 -43.0821 379.751 -50.1211 -43.5893 -134.961 292.856 PRESSAVG: 570200 -7.87144 -5.48045 -10.4369 -5.48048 34.4243 34.2523 -10.4368 34.2522 39.6878 GPRESSAVG: 570200 -5.73292 -5.38001 -13.1455 -5.5289 33.6442 33.9623 -7.62403 34.4887 38.6957 TIMING: 570200 CPU: 1687.84, 0.00301461/step Wall: 1687.84, 0.00301461/step, 3.70948 hours remaining, 206.300781 MB of memory in use. ENERGY: 570200 734.7002 2130.7910 1975.6328 119.4109 -206597.0538 18325.8327 0.0000 0.0000 34249.2262 -149061.4599 299.1070 -183310.6861 -148967.6093 299.3487 239.4928 268.9805 558614.4885 22.0802 22.2023 PRESSURE: 570400 -23.111 -100.335 -90.5387 -100.336 -31.8893 -39.9966 -90.5388 -39.9983 63.0474 GPRESSURE: 570400 46.6013 -107.024 -82.2877 -136.172 -47.5972 48.1787 -84.7248 -56.4146 100.117 PRESSAVG: 570400 -37.062 -9.47509 11.2663 -9.47521 -31.9071 -5.60988 11.2662 -5.61006 85.2235 GPRESSAVG: 570400 -38.2602 -10.1743 11.8638 -8.4304 -31.4833 -6.88724 10.714 -4.70258 85.2944 TIMING: 570400 CPU: 1688.43, 0.00294998/step Wall: 1688.43, 0.00294998/step, 3.62979 hours remaining, 206.300781 MB of memory in use. ENERGY: 570400 732.3946 2046.6660 1968.5808 107.0308 -206247.9307 17888.1854 0.0000 0.0000 34213.4427 -149291.6305 298.7945 -183505.0731 -149199.8942 298.8701 2.6824 33.0402 556846.9460 5.4181 5.1836 PRESSURE: 570600 64.5689 55.7548 44.3859 55.7531 -224.964 -39.7829 44.3869 -39.7819 -158.886 GPRESSURE: 570600 36.0192 50.5829 19.9238 84.3753 -136.604 -70.6687 87.9745 -66.5464 -129.748 PRESSAVG: 570600 -19.0418 -41.1425 -9.18298 -41.1426 -33.7944 70.6357 -9.18304 70.6357 29.0137 GPRESSAVG: 570600 -17.3035 -41.8528 -9.40768 -41.0807 -34.2392 70.0679 -10.6474 70.9355 27.67 TIMING: 570600 CPU: 1689.03, 0.00296465/step Wall: 1689.03, 0.00296465/step, 3.64767 hours remaining, 206.300781 MB of memory in use. ENERGY: 570600 733.3373 2064.4253 1961.4987 118.2398 -206261.3521 17838.7445 0.0000 0.0000 34403.9338 -149141.1727 300.4581 -183545.1065 -149044.7956 298.7310 -106.4271 -76.7776 558047.3381 -7.9408 -7.9576 PRESSURE: 570800 -17.1013 298.855 -1.88013 298.855 -234.505 49.4143 -1.8814 49.4146 -98.1065 GPRESSURE: 570800 -54.5816 214.195 86.445 372.526 -207.162 -10.6511 -8.3916 40.793 21.8348 PRESSAVG: 570800 -35.0665 19.9384 16.3921 19.9384 4.11762 -57.0836 16.3921 -57.0835 61.8555 GPRESSAVG: 570800 -36.4241 22.0742 17.0937 19.6338 4.629 -57.2093 16.9924 -55.545 63.0018 TIMING: 570800 CPU: 1689.62, 0.00296403/step Wall: 1689.62, 0.00296403/step, 3.64675 hours remaining, 206.300781 MB of memory in use. ENERGY: 570800 720.6516 2083.4314 1948.7816 105.4616 -205971.4400 17665.3738 0.0000 0.0000 34268.1226 -149179.6173 299.2720 -183447.7399 -149081.3401 299.4142 -116.5710 -79.9696 559896.7575 10.3022 10.4022 PRESSURE: 571000 237.221 18.8675 126.138 18.8687 51.0717 -42.4917 126.139 -42.4914 -124.141 GPRESSURE: 571000 240.253 8.8496 76.3065 117.624 60.2822 -46.5427 105.686 45.7907 -29.2136 PRESSAVG: 571000 -22.7835 8.43145 -23.3813 8.43141 24.3668 28.1513 -23.3814 28.1512 6.28991 GPRESSAVG: 571000 -22.0871 8.88847 -20.8188 6.68188 23.8102 30.8146 -23.1281 25.8622 6.70364 TIMING: 571000 CPU: 1690.22, 0.0029954/step Wall: 1690.22, 0.0029954/step, 3.68517 hours remaining, 206.300781 MB of memory in use. ENERGY: 571000 722.6297 2132.4840 1974.2323 113.0580 -206062.4812 17840.1904 0.0000 0.0000 34311.2741 -148968.6127 299.6489 -183279.8869 -148873.3672 299.2803 54.7170 90.4407 558284.1645 2.6244 2.8089 PRESSURE: 571200 57.0566 -74.0772 18.7876 -74.0773 -171.097 45.222 18.7868 45.2224 69.4476 GPRESSURE: 571200 64.0157 52.725 52.2841 -169.607 -108.797 112.648 15.4512 -19.9636 84.9223 PRESSAVG: 571200 -45.9762 -18.8626 8.70281 -18.8626 -19.7851 18.4177 8.70287 18.4177 57.6691 GPRESSAVG: 571200 -46.7937 -18.3062 6.95667 -17.8287 -18.8482 18.8479 7.61739 17.8851 57.3475 TIMING: 571200 CPU: 1690.81, 0.0029557/step Wall: 1690.81, 0.0029557/step, 3.63617 hours remaining, 206.300781 MB of memory in use. ENERGY: 571200 748.2362 2120.5676 1939.5474 120.2534 -205926.0765 17758.4231 0.0000 0.0000 34236.4817 -149002.5670 298.9957 -183239.0487 -148911.6254 299.7704 -14.8643 13.3804 558351.7883 -2.6974 -2.7648 PRESSURE: 571400 -54.7394 45.9438 -3.47817 45.9429 -231.347 -211.516 -3.47974 -211.517 -36.2812 GPRESSURE: 571400 -9.93967 47.2221 27.9462 -17.1343 -167.648 -148.043 -18.7322 -169.07 -48.3812 PRESSAVG: 571400 25.2011 54.1842 25.7585 54.1841 -42.2477 -39.9673 25.7586 -39.9673 -7.74387 GPRESSAVG: 571400 25.5417 54.6792 25.8729 53.4746 -43.1535 -42.4656 28.3397 -40.2541 -7.45763 TIMING: 571400 CPU: 1691.41, 0.00298991/step Wall: 1691.41, 0.00298991/step, 3.67809 hours remaining, 206.300781 MB of memory in use. ENERGY: 571400 717.9081 2112.3208 1951.8525 111.2152 -205932.5226 17655.8197 0.0000 0.0000 34377.8396 -149005.5667 300.2302 -183383.4063 -148913.6944 299.8848 -107.4558 -75.3228 559556.9951 -8.2635 -8.3565 PRESSURE: 571600 -131.115 -86.9907 -1.89846 -86.9914 -81.7432 -49.0489 -1.8978 -49.0501 -51.7959 GPRESSURE: 571600 -114.397 -72.7566 30.0058 -134.542 -79.7544 -122.583 -47.7626 20.1475 24.9438 PRESSAVG: 571600 3.4105 -0.71058 2.81689 -0.710575 -22.4029 9.02884 2.8168 9.02886 17.875 GPRESSAVG: 571600 3.4299 -1.71575 2.51803 -0.179514 -22.1455 7.95174 0.181906 10.8217 17.9365 TIMING: 571600 CPU: 1692.01, 0.00301154/step Wall: 1692.01, 0.00301154/step, 3.70452 hours remaining, 206.300781 MB of memory in use. ENERGY: 571600 731.3241 2090.6865 1946.7355 108.1047 -205684.1078 17696.8246 0.0000 0.0000 33987.2587 -149123.1736 296.8192 -183110.4323 -149027.5107 299.0540 -88.2179 -56.4024 559569.4796 -0.3725 -0.2597 PRESSURE: 571800 -7.22336 -80.2513 4.55196 -80.2516 -145.856 103.442 4.55052 103.444 78.892 GPRESSURE: 571800 -7.35307 -82.8821 30.7546 -123.551 -64.4152 125.648 -11.4388 101.616 98.424 PRESSAVG: 571800 -35.5516 -48.3044 35.9633 -48.3044 42.1913 9.3764 35.9634 9.37658 68.9832 GPRESSAVG: 571800 -35.2047 -48.3076 34.7681 -47.6822 43.4603 9.65303 38.8318 7.5964 67.3694 TIMING: 571800 CPU: 1692.61, 0.00302299/step Wall: 1692.61, 0.00302299/step, 3.71845 hours remaining, 206.300781 MB of memory in use. ENERGY: 571800 717.0193 2041.0697 1947.4730 111.7967 -206095.8060 17773.5954 0.0000 0.0000 34371.5931 -149133.2587 300.1757 -183504.8518 -149037.5445 298.8441 -24.7291 8.8853 559110.1790 25.2076 25.2084 PRESSURE: 572000 7.65455 111.442 119.06 111.442 -299.852 168.063 119.061 168.064 -239.203 GPRESSURE: 572000 5.68375 70.0534 49.0304 63.4674 -244.349 217.131 106.182 92.3241 -206.505 PRESSAVG: 572000 14.1849 2.67764 28.5711 2.67763 7.28022 -12.3611 28.5712 -12.3613 -31.3567 GPRESSAVG: 572000 13.5484 2.89962 29.4654 2.17629 6.39317 -9.83588 27.2995 -13.8191 -29.9913 TIMING: 572000 CPU: 1693.21, 0.00297812/step Wall: 1693.21, 0.00297812/step, 3.66309 hours remaining, 206.300781 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: 572000 725.5904 2135.9376 1973.4911 119.0212 -205779.4044 17413.9363 0.0000 0.0000 34220.1576 -149191.2701 298.8531 -183411.4278 -149096.3211 299.1147 -177.1336 -148.3901 558979.4983 -3.2972 -3.3499 PRESSURE: 572200 188.811 -118.079 59.9332 -118.08 368.652 -98.3373 59.9334 -98.3377 70.7658 GPRESSURE: 572200 143.797 -195.188 -13.8327 -17.6291 410.288 -119.663 28.0837 -116.675 157.414 PRESSAVG: 572200 -20.5937 -11.6427 33.1421 -11.6426 55.1795 37.5593 33.1421 37.5593 -62.5242 GPRESSAVG: 572200 -19.758 -12.9141 33.2206 -12.2222 54.3993 36.3248 31.9267 39.1045 -62.5174 TIMING: 572200 CPU: 1693.81, 0.00300051/step Wall: 1693.81, 0.00300051/step, 3.69046 hours remaining, 206.300781 MB of memory in use. ENERGY: 572200 692.0122 2105.1593 1952.3238 114.2723 -206119.5959 18044.7997 0.0000 0.0000 34022.5879 -149188.4407 297.1277 -183211.0286 -149094.0457 299.5599 209.4095 237.1661 558079.6510 -9.3128 -9.2921 LDB: ============= START OF LOAD BALANCING ============== 1697.24 LDB: ============== END OF LOAD BALANCING =============== 1697.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1697.24 LDB: ============= START OF LOAD BALANCING ============== 1697.54 LDB: Largest compute 4820 load 0.030404 is 25.8% of average load 0.117890 LDB: Average compute 0.001711 is 1.5% of average load 0.117890 LDB: TIME 1697.54 LOAD: AVG 0.11789 MAX 0.198258 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.465 MB LDB: TIME 1697.54 LOAD: AVG 0.11789 MAX 0.198258 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.465 MB LDB: TIME 1697.54 LOAD: AVG 0.11789 MAX 0.198258 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.465 MB LDB: ============== END OF LOAD BALANCING =============== 1697.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1697.55 PRESSURE: 572400 -213.562 -127.544 29.7249 -127.544 -348.433 27.2662 29.7242 27.2661 -229.246 GPRESSURE: 572400 -188.822 -110.892 20.9985 -171.508 -310.771 -40.0695 47.0958 112.66 -188.094 PRESSAVG: 572400 71.9415 -4.39168 3.55733 -4.39162 75.9795 -31.4694 3.55728 -31.4695 -117.85 GPRESSAVG: 572400 72.3495 -4.12078 2.55412 -4.00461 76.4819 -31.9115 3.46206 -30.8387 -118.893 TIMING: 572400 CPU: 1694.42, 0.00305242/step Wall: 1694.42, 0.00305242/step, 3.75413 hours remaining, 206.234375 MB of memory in use. ENERGY: 572400 733.4109 2112.8731 1966.6471 116.4097 -205583.8483 17350.2403 0.0000 0.0000 34063.6917 -149240.5757 297.4867 -183304.2673 -149142.2637 299.2655 -263.7470 -229.2290 558785.3695 10.0236 9.9794 PRESSURE: 572600 -206.66 22.3966 -79.9075 22.3957 -114.102 30.9134 -79.9085 30.9118 -15.6698 GPRESSURE: 572600 -128.726 36.7838 -178.217 33.9817 -187.392 -40.117 18.4741 58.909 66.0638 PRESSAVG: 572600 17.2376 1.79535 33.5602 1.79535 -35.096 6.09455 33.5601 6.09451 20.6342 GPRESSAVG: 572600 16.5529 1.22712 34.748 2.86603 -36.4373 6.51245 32.9914 5.53398 21.8394 TIMING: 572600 CPU: 1695.02, 0.00300452/step Wall: 1695.02, 0.00300452/step, 3.69506 hours remaining, 206.437500 MB of memory in use. ENERGY: 572600 743.1276 2052.5117 1942.1218 109.3578 -206349.5231 17762.3568 0.0000 0.0000 34270.6426 -149469.4047 299.2940 -183740.0473 -149366.9754 298.4842 -112.1440 -83.3514 558559.4910 0.9253 0.6516 PRESSURE: 572800 -128.017 24.7481 -162.995 24.749 -209.058 -116.661 -162.995 -116.66 -89.9766 GPRESSURE: 572800 -55.9199 43.5509 -50.8169 -10.5915 -204.812 -63.735 -175.552 -194.747 -60.2288 PRESSAVG: 572800 -22.1369 -20.2992 -30.4089 -20.2992 -17.2528 -37.785 -30.4089 -37.7851 6.4951 GPRESSAVG: 572800 -22.3261 -18.2627 -31.5145 -22.2812 -15.9931 -37.1195 -28.546 -39.2177 5.38071 TIMING: 572800 CPU: 1695.62, 0.00300446/step Wall: 1695.62, 0.00300446/step, 3.69482 hours remaining, 206.437500 MB of memory in use. ENERGY: 572800 764.3218 2110.2480 1935.6758 112.9374 -206415.0708 17702.9230 0.0000 0.0000 34259.5367 -149529.4280 299.1971 -183788.9647 -149432.9501 298.7291 -142.3506 -106.9868 558620.7491 -10.9649 -10.9795 PRESSURE: 573000 -10.869 -18.3685 -81.5041 -18.3679 92.1535 -16.2924 -81.502 -16.2936 57.5563 GPRESSURE: 573000 30.9014 15.1821 -112.083 -55.0483 115.189 -3.13888 -13.0238 -29.7449 80.3388 PRESSAVG: 573000 23.1899 -14.2998 -9.04699 -14.2998 9.77885 14.3434 -9.04693 14.3436 -17.0115 GPRESSAVG: 573000 23.2978 -15.3028 -8.31826 -14.0159 10.8095 14.1527 -9.31422 15.1532 -18.4205 TIMING: 573000 CPU: 1696.22, 0.0029774/step Wall: 1696.22, 0.0029774/step, 3.66137 hours remaining, 206.437500 MB of memory in use. ENERGY: 573000 750.1886 2124.9207 1932.9882 102.0083 -206889.6832 18216.3171 0.0000 0.0000 34041.0812 -149722.1791 297.2892 -183763.2603 -149615.3108 297.9831 46.2803 75.4765 558495.4097 5.3191 5.2289 PRESSURE: 573200 -177.116 -193.948 67.8745 -193.948 64.4583 205.35 67.8731 205.35 -225.384 GPRESSURE: 573200 -130.598 -129.017 144.219 -210.676 60.1461 213.915 66.8717 122.034 -161.774 PRESSAVG: 573200 7.32634 -72.2387 -29.5323 -72.2387 25.8078 -10.4361 -29.5322 -10.436 -11.2652 GPRESSAVG: 573200 7.69042 -71.3429 -29.49 -71.4614 24.3922 -10.6922 -29.7568 -9.30401 -10.0559 TIMING: 573200 CPU: 1696.81, 0.00296014/step Wall: 1696.81, 0.00296014/step, 3.63998 hours remaining, 206.437500 MB of memory in use. ENERGY: 573200 699.2797 2017.6509 1932.0589 116.4748 -206420.6128 17800.6760 0.0000 0.0000 34129.0399 -149725.4326 298.0574 -183854.4726 -149618.5649 297.6956 -112.6807 -77.4086 559620.2363 7.2896 7.3422 PRESSURE: 573400 37.767 57.4417 -7.89923 57.4402 -24.3759 -84.2712 -7.89795 -84.2722 -61.9762 GPRESSURE: 573400 57.7408 69.6318 -55.8346 117.927 15.1413 -85.4148 82.9196 -61.2894 -13.4801 PRESSAVG: 573400 -8.87336 -5.90974 7.28653 -5.90983 40.2144 -27.6899 7.28644 -27.6901 -28.9193 GPRESSAVG: 573400 -10.4941 -4.6904 5.76298 -6.67448 41.2922 -27.5822 7.00423 -27.1791 -28.1664 TIMING: 573400 CPU: 1697.4, 0.00297273/step Wall: 1697.4, 0.00297273/step, 3.6553 hours remaining, 206.437500 MB of memory in use. ENERGY: 573400 771.7268 2098.7186 1953.1647 118.1885 -207250.1696 18224.1669 0.0000 0.0000 34327.9160 -149756.2880 299.7942 -184084.2041 -149662.4825 297.9650 -16.1950 19.8007 559011.7403 0.8072 0.8773 PRESSURE: 573600 -133.13 -287.067 -49.7175 -287.065 36.5871 -34.2686 -49.7172 -34.2683 16.5348 GPRESSURE: 573600 -86.8697 -279.452 -72.5097 -232.162 95.5581 13.623 -49.0515 -35.384 1.60182 PRESSAVG: 573600 -60.57 -24.6253 19.2416 -24.6254 1.49323 -4.0382 19.2415 -4.03818 -17.2551 GPRESSAVG: 573600 -59.3243 -26.8458 20.1363 -22.3846 1.01848 -2.43699 19.7943 -4.8381 -18.0996 TIMING: 573600 CPU: 1698, 0.00297496/step Wall: 1698, 0.00297496/step, 3.65788 hours remaining, 206.437500 MB of memory in use. ENERGY: 573600 730.9118 2065.5527 1951.2302 108.2539 -206379.9492 17831.3176 0.0000 0.0000 34039.5083 -149653.1747 297.2755 -183692.6830 -149560.9463 297.9483 -26.6693 3.4300 559558.0816 -25.4439 -25.4685 PRESSURE: 573800 -187.367 -27.0121 2.56429 -27.0109 -151.8 105.537 2.56515 105.536 -15.0521 GPRESSURE: 573800 -128.878 -42.7082 60.5966 -88.5665 -95.2063 84.2127 -13.9897 83.6061 -25.3347 PRESSAVG: 573800 64.0898 -22.2149 -30.4838 -22.2149 -32.2985 25.3594 -30.4839 25.3594 -8.21794 GPRESSAVG: 573800 65.0771 -21.0741 -31.268 -23.3625 -32.3186 26.0583 -31.3573 23.4499 -8.94896 TIMING: 573800 CPU: 1698.59, 0.002975/step Wall: 1698.59, 0.002975/step, 3.65776 hours remaining, 206.437500 MB of memory in use. ENERGY: 573800 807.3305 2099.3014 1950.0536 126.4273 -206639.7915 17845.1663 0.0000 0.0000 34021.9883 -149789.5241 297.1225 -183811.5124 -149696.9363 296.8065 -118.0730 -83.1397 557443.3989 7.8578 7.9365 PRESSURE: 574000 251.871 -109.251 -84.8433 -109.251 18.1644 71.3028 -84.8437 71.3051 -0.344515 GPRESSURE: 574000 290.119 -105.25 -110.984 -47.8381 66.8346 79.0414 -146.989 125.344 14.8817 PRESSAVG: 574000 93.0474 -31.1736 -1.73111 -31.1736 -44.5021 23.4671 -1.73111 23.4671 -64.82 GPRESSAVG: 574000 92.5684 -30.7785 -0.854705 -31.3827 -43.5815 20.7699 -1.6086 26.7035 -64.2427 TIMING: 574000 CPU: 1699.19, 0.00296495/step Wall: 1699.19, 0.00296495/step, 3.64524 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: 574000 729.3871 2097.7501 1932.5186 119.0588 -206760.9305 17983.3374 0.0000 0.0000 34035.0292 -149863.8494 297.2364 -183898.8786 -149767.1766 297.0834 89.8969 123.9452 556676.3208 -5.4249 -5.0853 PRESSURE: 574200 -159.525 85.1306 29.3228 85.1307 235.725 -26.6216 29.3228 -26.6203 212.758 GPRESSURE: 574200 -108.783 82.7333 71.8296 75.7103 243.121 -38.0232 86.5531 -34.1985 245.399 PRESSAVG: 574200 -4.20336 -35.1751 27.6963 -35.175 12.7199 10.7292 27.6962 10.7293 5.5569 GPRESSAVG: 574200 -4.15668 -34.9209 28.7373 -35.8456 11.2847 12.6198 26.3058 9.68564 7.34198 TIMING: 574200 CPU: 1699.78, 0.00295548/step Wall: 1699.78, 0.00295548/step, 3.63343 hours remaining, 206.437500 MB of memory in use. ENERGY: 574200 752.4788 2114.3195 1937.9481 130.1651 -206936.6459 18147.7166 0.0000 0.0000 34080.2087 -149773.8092 297.6309 -183854.0179 -149672.5464 297.8767 96.3193 126.5789 556906.0920 4.6911 4.8233 PRESSURE: 574400 38.4413 -8.28209 -235.879 -8.28172 237.009 -63.2659 -235.88 -63.2656 110.777 GPRESSURE: 574400 59.2841 -5.27848 -128.269 -41.1344 281.853 -13.6495 -240.513 -114.487 135.628 PRESSAVG: 574400 -21.837 -12.1844 -58.7644 -12.1844 69.9597 23.8382 -58.7643 23.8382 3.4328 GPRESSAVG: 574400 -21.7799 -12.51 -60.3698 -11.8682 70.8861 23.2098 -57.652 24.0678 2.54506 TIMING: 574400 CPU: 1700.38, 0.00300416/step Wall: 1700.38, 0.00300416/step, 3.69312 hours remaining, 206.437500 MB of memory in use. ENERGY: 574400 735.0029 2046.9621 1943.4207 118.6535 -206757.0268 18094.3422 0.0000 0.0000 34051.8036 -149766.8416 297.3829 -183818.6452 -149673.9239 297.2990 128.7425 158.9216 557195.0499 17.1851 17.2171 PRESSURE: 574600 -76.4485 -6.21393 -24.9819 -6.21374 17.7237 -129.212 -24.9807 -129.212 -132.412 GPRESSURE: 574600 -24.9466 -2.31949 -25.5157 -12.8192 -0.56616 -115.406 -70.2486 -196.114 -55.6358 PRESSAVG: 574600 -50.1149 57.9778 -6.44804 57.9776 2.26166 -19.1952 -6.44803 -19.1952 66.3836 GPRESSAVG: 574600 -48.4957 58.1845 -5.1053 58.2382 0.61663 -19.3687 -6.7158 -21.04 66.8422 TIMING: 574600 CPU: 1700.98, 0.00298185/step Wall: 1700.98, 0.00298185/step, 3.66552 hours remaining, 206.437500 MB of memory in use. ENERGY: 574600 727.4004 2080.2988 1937.3017 107.9472 -206538.7651 17907.0493 0.0000 0.0000 33908.2312 -149870.5365 296.1290 -183778.7677 -149779.0661 296.8699 -63.7122 -27.0495 559413.8767 6.1768 6.3210 PRESSURE: 574800 -66.3986 -62.5656 66.2506 -62.565 30.1344 30.242 66.2508 30.2437 15.8305 GPRESSURE: 574800 -17.7039 -40.1314 31.8699 -180.439 73.6514 -21.6828 112.843 -4.39787 26.333 PRESSAVG: 574800 5.83512 -28.6992 1.66972 -28.6992 17.1699 -13.6438 1.66983 -13.6438 38.8306 GPRESSAVG: 574800 4.74275 -29.1421 2.15649 -28.4252 19.2011 -14.2611 0.719624 -13.3048 37.8849 TIMING: 574800 CPU: 1701.57, 0.0029901/step Wall: 1701.57, 0.0029901/step, 3.67549 hours remaining, 206.437500 MB of memory in use. ENERGY: 574800 733.8793 2120.8394 1938.8483 113.1547 -206948.2391 17909.4040 0.0000 0.0000 34270.8113 -149861.3020 299.2955 -184132.1133 -149755.2567 297.6190 -6.8112 27.4268 556928.2925 20.6119 20.6096 PRESSURE: 575000 14.8683 117.072 49.8197 117.073 137.936 -28.9706 49.819 -28.972 89.9008 GPRESSURE: 575000 89.7486 112.124 -2.83908 60.7296 164.266 -46.2389 23.7052 -18.4987 82.3761 PRESSAVG: 575000 1.33422 -34.5568 -51.8578 -34.5568 11.9542 -12.6795 -51.8577 -12.6794 -5.64442 GPRESSAVG: 575000 1.98349 -34.5591 -54.1413 -36.4688 11.7265 -10.7554 -49.7105 -13.0426 -5.26322 TIMING: 575000 CPU: 1702.18, 0.00300684/step Wall: 1702.18, 0.00300684/step, 3.6959 hours remaining, 206.437500 MB of memory in use. ENERGY: 575000 755.0104 2074.9396 1962.0095 112.7551 -206703.3373 18132.8401 0.0000 0.0000 33972.0428 -149693.7399 296.6863 -183665.7827 -149602.9928 297.7083 80.9018 112.1302 557256.1391 2.5480 2.8156 PRESSURE: 575200 -244.322 -51.0648 -47.0532 -51.0639 -185.88 39.5202 -47.053 39.5189 -393.663 GPRESSURE: 575200 -192.666 -111.517 -62.9071 -1.45643 -149.225 10.3294 -5.61229 98.0204 -384.521 PRESSAVG: 575200 14.7188 17.2504 62.217 17.2504 -8.23554 9.32226 62.2171 9.32216 -20.0857 GPRESSAVG: 575200 14.3565 16.4027 64.1713 18.0004 -7.89624 9.49449 61.9208 10.6929 -20.0039 TIMING: 575200 CPU: 1702.77, 0.00298023/step Wall: 1702.77, 0.00298023/step, 3.66303 hours remaining, 206.507812 MB of memory in use. ENERGY: 575200 739.1383 2071.3130 1927.9118 126.8602 -206364.1375 17587.8724 0.0000 0.0000 34314.9397 -149596.1019 299.6809 -183911.0417 -149499.2961 298.3647 -274.6215 -242.1375 557864.6318 -4.5341 -4.5145 PRESSURE: 575400 -88.9485 19.0676 -71.5809 19.067 63.0534 -10.6501 -71.5804 -10.65 88.5746 GPRESSURE: 575400 -76.0055 -3.74462 -24.4474 -12.4905 44.3719 22.969 -116.584 -16.5158 180.242 PRESSAVG: 575400 -17.19 23.7816 2.2966 23.7817 1.76331 55.847 2.29669 55.8469 58.2085 GPRESSAVG: 575400 -18.216 25.7581 -0.627046 21.6455 2.58769 56.2133 3.16672 54.4229 58.6892 TIMING: 575400 CPU: 1703.37, 0.00300502/step Wall: 1703.37, 0.00300502/step, 3.69334 hours remaining, 206.507812 MB of memory in use. ENERGY: 575400 695.8807 2020.8312 1963.5738 111.2798 -206353.5545 17912.6500 0.0000 0.0000 34070.1031 -149579.2359 297.5427 -183649.3390 -149479.7524 297.7994 20.8931 49.5360 557800.9996 14.2606 14.3537 PRESSURE: 575600 -129.757 76.3585 -55.6031 76.36 -23.8346 -36.5516 -55.6019 -36.5535 156.054 GPRESSURE: 575600 -119.348 90.8928 68.4906 23.0097 42.4197 -51.0946 -194.605 -69.8128 165.611 PRESSAVG: 575600 -67.7766 -3.36346 -0.944838 -3.36347 -1.81738 0.361162 -0.944869 0.36119 73.2383 GPRESSAVG: 575600 -66.4693 -3.89084 1.36644 -1.28533 -1.72948 -0.185975 -4.27052 0.102864 71.9726 TIMING: 575600 CPU: 1703.97, 0.00300372/step Wall: 1703.97, 0.00300372/step, 3.69157 hours remaining, 206.507812 MB of memory in use. ENERGY: 575600 718.1451 2094.3833 1958.2206 112.2360 -206599.4970 17932.9358 0.0000 0.0000 34131.8402 -149651.7361 298.0818 -183783.5763 -149562.2582 298.1907 0.8208 29.5606 557788.1598 1.2148 1.2579 PRESSURE: 575800 51.6387 29.74 235.436 29.7397 -45.6558 65.1535 235.437 65.1538 217.724 GPRESSURE: 575800 113.685 94.0022 287.21 29.3798 -53.0787 5.96248 159.321 54.9181 250.219 PRESSAVG: 575800 -63.5495 6.12665 -7.04123 6.1266 30.747 35.502 -7.04114 35.502 50.3763 GPRESSAVG: 575800 -62.9712 4.97175 -8.82114 6.70192 30.0024 33.9872 -4.96608 35.4944 50.7122 TIMING: 575800 CPU: 1704.58, 0.00302002/step Wall: 1704.58, 0.00302002/step, 3.71144 hours remaining, 206.507812 MB of memory in use. ENERGY: 575800 738.8865 2069.1837 1975.6033 118.7731 -206721.2358 18014.7481 0.0000 0.0000 34262.6104 -149541.4308 299.2239 -183804.0412 -149441.6808 298.5632 74.5690 103.6085 557797.9232 5.8579 5.9145 PRESSURE: 576000 -122.526 -8.21581 91.4196 -8.21661 292.613 -7.97769 91.4196 -7.97744 -97.7762 GPRESSURE: 576000 -110.353 -41.1265 116.904 -17.9365 323.55 41.3646 29.8447 5.43221 -49.7991 PRESSAVG: 576000 -59.2484 8.92849 52.1674 8.92845 -50.5392 52.7441 52.1674 52.7442 77.7478 GPRESSAVG: 576000 -60.3153 9.77435 52.817 8.26563 -50.815 51.6496 51.2999 53.4296 78.62 TIMING: 576000 CPU: 1705.17, 0.00298687/step Wall: 1705.17, 0.00298687/step, 3.67053 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: 576000 731.4387 2069.2393 1958.3883 103.2698 -206590.7796 18026.7838 0.0000 0.0000 34267.1720 -149434.4878 299.2637 -183701.6598 -149339.1626 298.2192 24.1035 54.4661 557902.4413 -10.6800 -10.8367 PRESSURE: 576200 -117.247 57.8374 28.9478 57.8372 -252.787 -134.63 28.9472 -134.632 -96.3898 GPRESSURE: 576200 -146.243 66.5808 9.80824 45.2873 -208.294 -183.896 111.499 -107.094 -8.54729 PRESSAVG: 576200 -31.5089 -17.9082 24.2157 -17.9082 -12.7275 -2.37861 24.2157 -2.37861 103.496 GPRESSAVG: 576200 -31.468 -19.7673 24.0108 -17.3802 -12.9949 -1.46241 24.7989 -2.06027 103.686 TIMING: 576200 CPU: 1705.77, 0.00297902/step Wall: 1705.77, 0.00297902/step, 3.66072 hours remaining, 206.507812 MB of memory in use. ENERGY: 576200 800.6497 2031.1633 1946.0859 119.7181 -206203.8607 17569.5277 0.0000 0.0000 34311.8213 -149424.8947 299.6537 -183736.7160 -149328.5052 298.7932 -155.4746 -121.0282 556935.4318 19.7530 19.7412 LDB: ============= START OF LOAD BALANCING ============== 1709.2 LDB: ============== END OF LOAD BALANCING =============== 1709.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1709.2 LDB: ============= START OF LOAD BALANCING ============== 1709.5 LDB: Largest compute 4820 load 0.030615 is 26.0% of average load 0.117850 LDB: Average compute 0.001709 is 1.4% of average load 0.117850 LDB: TIME 1709.5 LOAD: AVG 0.11785 MAX 0.195878 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.465 MB LDB: TIME 1709.5 LOAD: AVG 0.11785 MAX 0.195878 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.465 MB LDB: TIME 1709.5 LOAD: AVG 0.11785 MAX 0.195878 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.465 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1709.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1709.5 PRESSURE: 576400 16.5014 24.0826 -37.4244 24.0811 -71.5807 -69.9376 -37.4243 -69.9372 19.8411 GPRESSURE: 576400 92.7294 -12.1376 70.2741 16.8465 -97.9158 -99.3701 -148.765 -58.6876 52.4824 PRESSAVG: 576400 -16.3729 -17.3416 9.5896 -17.3416 -14.2111 28.779 9.58959 28.779 51.7343 GPRESSAVG: 576400 -15.8429 -17.9778 10.2489 -16.696 -13.6433 31.4701 9.04343 27.7298 50.4318 TIMING: 576400 CPU: 1706.37, 0.00301953/step Wall: 1706.37, 0.00301953/step, 3.71033 hours remaining, 206.363281 MB of memory in use. ENERGY: 576400 725.1246 2099.8068 1945.1617 100.8267 -206550.5732 17921.0263 0.0000 0.0000 34307.9061 -149450.7210 299.6195 -183758.6270 -149353.4654 298.8983 -11.7461 15.7653 557319.1639 7.0501 6.9819 PRESSURE: 576600 -60.387 -2.09337 132.48 -2.09417 -97.2111 10.555 132.48 10.5529 83.6196 GPRESSURE: 576600 -19.2574 -36.3847 73.0123 84.9643 -112.643 -52.0186 174.392 1.16559 139.129 PRESSAVG: 576600 9.74437 2.57182 12.4586 2.57174 -72.1087 -38.3106 12.4584 -38.3105 57.0855 GPRESSAVG: 576600 9.50527 4.82466 11.7058 1.26741 -73.0181 -40.4557 11.6935 -36.9894 57.9412 TIMING: 576600 CPU: 1706.97, 0.0029849/step Wall: 1706.97, 0.0029849/step, 3.66762 hours remaining, 206.363281 MB of memory in use. ENERGY: 576600 724.5779 2111.0313 1970.5980 121.6976 -206578.5649 17800.4016 0.0000 0.0000 34479.1069 -149371.1516 301.1146 -183850.2585 -149271.8133 298.3523 -24.6595 2.4094 558302.3139 -1.7596 -1.8572 PRESSURE: 576800 314.823 -158.723 -14.5127 -158.726 -0.851965 115.833 -14.5118 115.833 64.6488 GPRESSURE: 576800 301.522 -162.391 -72.6404 -96.5719 37.5279 200.874 -55.5298 49.4725 143.844 PRESSAVG: 576800 -37.4329 -16.5535 -13.816 -16.5535 92.1224 15.26 -13.8161 15.2599 -43.4875 GPRESSAVG: 576800 -37.7122 -15.6335 -15.1354 -16.2825 92.159 16.4844 -12.762 14.608 -43.1475 TIMING: 576800 CPU: 1707.57, 0.00299084/step Wall: 1707.57, 0.00299084/step, 3.67474 hours remaining, 206.363281 MB of memory in use. ENERGY: 576800 739.5917 2072.1059 1956.0079 124.7546 -206378.1817 18106.4847 0.0000 0.0000 34067.5971 -149311.6399 297.5208 -183379.2370 -149221.9251 298.3266 126.2066 160.9646 558958.4941 3.7340 3.7664 PRESSURE: 577000 -121.084 -33.5246 251.556 -33.5245 -40.1506 37.4852 251.555 37.4844 -206.128 GPRESSURE: 577000 -95.5683 -57.9023 156.776 -181.793 -2.25483 -10.6582 296.031 76.8987 -163.395 PRESSAVG: 577000 20.4736 -12.2226 1.16575 -12.2226 -25.9975 -35.7868 1.16582 -35.7868 -21.0487 GPRESSAVG: 577000 20.2839 -13.5042 1.99469 -12.6809 -25.3349 -35.2238 0.285762 -36.9729 -21.4856 TIMING: 577000 CPU: 1708.17, 0.00298072/step Wall: 1708.17, 0.00298072/step, 3.66214 hours remaining, 206.363281 MB of memory in use. ENERGY: 577000 758.2269 2117.5928 1975.9462 112.4969 -206223.1640 17851.5872 0.0000 0.0000 34153.5784 -149253.7356 298.2717 -183407.3140 -149159.1017 298.6296 -122.4542 -87.0728 559336.1020 -8.8575 -8.8455 PRESSURE: 577200 -257.216 91.256 -30.3994 91.2553 -159.481 8.01067 -30.3993 8.01098 -198.967 GPRESSURE: 577200 -182.6 101.647 -18.9201 33.6928 -112.774 -63.1354 -24.611 -60.5981 -231.584 PRESSAVG: 577200 30.242 -39.1453 22.9054 -39.1454 26.4867 6.50862 22.9056 6.50857 -12.6087 GPRESSAVG: 577200 30.7201 -38.3151 22.947 -37.9503 26.0035 3.82845 24.2172 8.59543 -13.0469 TIMING: 577200 CPU: 1708.76, 0.0029889/step Wall: 1708.76, 0.0029889/step, 3.67203 hours remaining, 206.363281 MB of memory in use. ENERGY: 577200 750.2130 2074.3339 1937.6090 114.2526 -205910.1841 17616.5362 0.0000 0.0000 34000.4927 -149416.7466 296.9348 -183417.2393 -149316.6476 298.6899 -205.2214 -175.6525 560346.7818 14.7067 14.5589 PRESSURE: 577400 -125.704 109.023 55.8264 109.022 -257.35 6.05208 55.8258 6.05118 -125.308 GPRESSURE: 577400 -123.966 28.0262 148.79 160.285 -190.631 -151.432 -40.047 84.3285 -98.9633 PRESSAVG: 577400 -5.24329 50.9623 20.0848 50.9624 5.04519 25.2981 20.0848 25.2983 22.3046 GPRESSAVG: 577400 -5.21667 51.375 20.3881 51.1094 4.44331 25.9649 20.1637 24.5664 23.0236 TIMING: 577400 CPU: 1709.36, 0.00298921/step Wall: 1709.36, 0.00298921/step, 3.67225 hours remaining, 206.363281 MB of memory in use. ENERGY: 577400 748.2715 2109.0034 1975.0241 114.7543 -206321.2302 17867.8306 0.0000 0.0000 34089.3877 -149416.9586 297.7111 -183506.3464 -149319.4638 298.6350 -169.4541 -137.8534 559240.2383 7.3688 7.4168 PRESSURE: 577600 20.0615 -43.0994 15.0534 -43.0995 -435.791 -30.7776 15.0515 -30.78 -272.037 GPRESSURE: 577600 7.78222 -76.4014 -49.8468 -84.1041 -406.443 -126.443 54.5577 9.06845 -180.423 PRESSAVG: 577600 18.8612 15.4685 16.6394 15.4686 -69.7032 9.81946 16.6394 9.81931 39.6323 GPRESSAVG: 577600 18.5805 12.7912 15.6648 14.1883 -68.3428 8.99393 17.2159 11.1822 38.3923 TIMING: 577600 CPU: 1709.96, 0.00301144/step Wall: 1709.96, 0.00301144/step, 3.69939 hours remaining, 206.363281 MB of memory in use. ENERGY: 577600 759.0343 2084.0640 1932.0679 105.0182 -206238.2145 17718.1865 0.0000 0.0000 34449.9071 -149189.9364 300.8596 -183639.8436 -149089.1185 298.8530 -229.2555 -193.0280 559487.7187 -3.7366 -3.7900 PRESSURE: 577800 -18.3294 31.2328 28.9661 31.2319 -1.30547 -114.106 28.9666 -114.107 348.078 GPRESSURE: 577800 -2.19131 96.5489 78.1208 0.263496 32.5155 -77.3665 -11.1136 -100.69 390.917 PRESSAVG: 577800 -15.6001 -13.0129 38.2573 -13.0129 -39.882 -2.24025 38.2574 -2.24026 14.1367 GPRESSAVG: 577800 -15.7603 -12.8911 41.01 -11.6604 -39.683 -2.09945 36.7565 -2.86274 14.0131 TIMING: 577800 CPU: 1710.56, 0.00298996/step Wall: 1710.56, 0.00298996/step, 3.67284 hours remaining, 206.363281 MB of memory in use. ENERGY: 577800 748.8105 2066.8735 1950.4778 101.8793 -206312.0476 17983.6027 0.0000 0.0000 34298.6506 -149161.7532 299.5386 -183460.4038 -149065.9487 299.5756 109.4812 140.4138 558189.4287 -13.7818 -13.8101 PRESSURE: 578000 -229.117 97.1442 24.5335 97.1431 97.9066 -38.028 24.5336 -38.0253 155.444 GPRESSURE: 578000 -179.354 85.6885 -0.650035 41.6146 138.338 -10.2981 18.382 -32.3911 160.886 PRESSAVG: 578000 16.8532 37.9592 -3.0244 37.9592 51.9312 -5.55129 -3.0245 -5.5513 -70.615 GPRESSAVG: 578000 16.1053 37.5535 -4.59143 38.3265 51.765 -4.41061 -1.65519 -6.05601 -69.1305 TIMING: 578000 CPU: 1711.16, 0.00299429/step Wall: 1711.16, 0.00299429/step, 3.67799 hours remaining, 206.363281 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: 578000 786.9093 2114.1472 1935.9580 115.3977 -206138.2974 17830.6228 0.0000 0.0000 34377.8952 -148977.3673 300.2307 -183355.2625 -148878.5886 299.7352 8.0780 39.9567 558448.3753 -0.6102 -0.4201 PRESSURE: 578200 -5.64918 193.614 -122.503 193.614 54.3446 -25.7095 -122.503 -25.7103 145.238 GPRESSURE: 578200 28.5642 107.585 -110.257 167.522 60.8518 -58.2149 -166.846 -29.2542 212.895 PRESSAVG: 578200 -2.6863 30.5505 -17.2016 30.5506 23.8351 57.712 -17.2016 57.712 -27.0864 GPRESSAVG: 578200 -2.25661 32.3136 -17.5113 29.402 23.948 57.1521 -18.6799 57.3388 -27.5469 TIMING: 578200 CPU: 1711.76, 0.00298033/step Wall: 1711.76, 0.00298033/step, 3.66067 hours remaining, 206.363281 MB of memory in use. ENERGY: 578200 714.6546 2127.8029 1931.7249 118.5160 -206139.0977 17940.1715 0.0000 0.0000 34285.4097 -149020.8180 299.4230 -183306.2277 -148932.6562 299.3402 64.6445 100.7704 557494.2047 -1.9792 -1.9519 PRESSURE: 578400 -258.402 123.343 -92.0857 123.343 -0.588188 79.9326 -92.0859 79.9322 -152.405 GPRESSURE: 578400 -201.901 106.023 -57.1358 102.667 -35.7506 116.827 -140.963 4.13505 -80.678 PRESSAVG: 578400 57.4201 -23.0227 59.0554 -23.0226 -56.2806 -20.8625 59.0554 -20.8625 35.0263 GPRESSAVG: 578400 59.2741 -23.2008 58.5468 -22.4727 -57.1832 -20.5825 59.6973 -21.0391 33.7502 TIMING: 578400 CPU: 1712.35, 0.00298003/step Wall: 1712.35, 0.00298003/step, 3.66014 hours remaining, 206.363281 MB of memory in use. ENERGY: 578400 751.4234 2075.1419 1946.6496 125.2358 -206148.9594 17668.7196 0.0000 0.0000 34434.8575 -149146.9317 300.7282 -183581.7892 -149058.5608 299.7796 -137.1315 -106.1098 557828.8979 12.0553 11.9470 PRESSURE: 578600 2.43074 -72.4949 67.0064 -72.4955 17.5028 167.473 67.0058 167.473 -25.1607 GPRESSURE: 578600 59.3473 -4.99338 62.8514 -132.795 98.2651 96.7426 -12.911 217.265 -70.0772 PRESSAVG: 578600 -12.799 -22.7179 34.6326 -22.7179 49.6024 36.5702 34.6325 36.5702 -31.8432 GPRESSAVG: 578600 -13.8497 -21.6751 35.9424 -22.6358 50.3927 37.1268 32.3972 38.5143 -31.727 TIMING: 578600 CPU: 1712.95, 0.00298756/step Wall: 1712.95, 0.00298756/step, 3.66922 hours remaining, 206.363281 MB of memory in use. ENERGY: 578600 704.8746 2064.4959 1941.5499 108.9014 -206160.8388 17757.3771 0.0000 0.0000 34410.6581 -149172.9817 300.5168 -183583.6399 -149077.7434 300.5203 -1.7424 29.1784 557513.7184 1.6534 1.6053 PRESSURE: 578800 35.6026 123.296 7.62567 123.296 -74.4918 -76.7521 7.6254 -76.7533 119.879 GPRESSURE: 578800 78.0802 -9.67676 -23.3746 169.921 -42.6372 -84.2113 104.394 -80.1938 150.946 PRESSAVG: 578800 -2.16503 27.0567 1.01596 27.0567 -7.77805 -23.3795 1.016 -23.3796 7.19775 GPRESSAVG: 578800 -0.544821 24.1826 -0.53439 29.2662 -8.39684 -24.265 3.81357 -24.3665 7.10477 TIMING: 578800 CPU: 1713.55, 0.00298878/step Wall: 1713.55, 0.00298878/step, 3.67055 hours remaining, 206.363281 MB of memory in use. ENERGY: 578800 739.7855 2112.6763 1948.7107 109.6258 -205725.7450 17615.0658 0.0000 0.0000 34197.0237 -149002.8572 298.6511 -183199.8809 -148910.0634 299.6103 26.9965 62.1296 557778.5595 -0.9151 -0.6123 PRESSURE: 579000 71.3349 126.601 144.81 126.602 76.6237 67.4018 144.809 67.4029 177.357 GPRESSURE: 579000 40.1555 81.7583 286.343 86.5154 129.294 -0.969992 182.163 113.79 253.18 PRESSAVG: 579000 27.2933 54.1409 52.7222 54.1409 -61.1542 11.4861 52.7223 11.4861 -11.0537 GPRESSAVG: 579000 25.5371 54.2115 54.4169 51.4315 -60.3311 13.3223 51.3528 10.3207 -9.9515 TIMING: 579000 CPU: 1714.14, 0.00297319/step Wall: 1714.14, 0.00297319/step, 3.65124 hours remaining, 206.363281 MB of memory in use. ENERGY: 579000 773.6218 2110.7749 1946.5770 121.3634 -206128.3056 17859.8837 0.0000 0.0000 34284.6125 -149031.4724 299.4160 -183316.0848 -148930.6209 299.7806 108.4386 140.8762 557037.0951 -14.9716 -14.9152 PRESSURE: 579200 183.244 6.41362 96.4302 6.41483 36.0426 9.14751 96.4312 9.14771 130.51 GPRESSURE: 579200 149.086 62.9731 178.355 68.5571 119.608 26.326 64.3974 2.93562 166.998 PRESSAVG: 579200 -20.1653 5.20306 24.4988 5.20304 24.5939 -37.1267 24.4988 -37.1268 18.9868 GPRESSAVG: 579200 -20.4003 8.49355 23.9192 6.29607 24.627 -38.0212 24.8083 -35.9033 19.1591 TIMING: 579200 CPU: 1714.74, 0.00301215/step Wall: 1714.74, 0.00301216/step, 3.69893 hours remaining, 206.363281 MB of memory in use. ENERGY: 579200 732.0245 2042.0961 1932.8772 115.8189 -206345.8835 17862.8890 0.0000 0.0000 34431.4509 -149228.7269 300.6984 -183660.1778 -149130.6856 299.6147 116.5989 145.2307 556581.2744 7.8051 7.7952 PRESSURE: 579400 -202.105 41.9921 -43.719 41.9922 -77.3616 -79.2286 -43.7199 -79.2289 251.733 GPRESSURE: 579400 -99.0244 25.93 -50.9229 67.0092 -85.1704 8.5404 -64.5787 -66.6042 251.739 PRESSAVG: 579400 7.4715 -43.1459 -17.6309 -43.1459 14.6333 -10.5614 -17.6309 -10.5614 -30.8845 GPRESSAVG: 579400 9.1429 -44.3576 -17.9024 -42.4046 14.0388 -11.961 -17.9989 -12.2465 -31.2278 TIMING: 579400 CPU: 1715.34, 0.00296852/step Wall: 1715.34, 0.00296852/step, 3.64517 hours remaining, 206.363281 MB of memory in use. ENERGY: 579400 762.8097 2165.6995 1948.1075 109.4681 -205981.5536 17644.8716 0.0000 0.0000 34106.5723 -149244.0248 297.8612 -183350.5971 -149158.6054 299.3403 -9.2444 22.5147 557440.3675 -2.9265 -2.6820 PRESSURE: 579600 219.144 73.3218 28.4809 73.3222 -198.833 -9.47065 28.4818 -9.47049 -122.282 GPRESSURE: 579600 229.445 83.0393 11.3773 98.8143 -157.19 23.0724 -12.6401 -34.7137 -83.0874 PRESSAVG: 579600 -39.8561 -25.6991 2.33359 -25.6991 -12.1614 -70.4082 2.33361 -70.4083 25.2299 GPRESSAVG: 579600 -40.6428 -27.4918 1.27845 -23.7327 -11.7348 -68.2121 4.22829 -71.7196 26.0018 TIMING: 579600 CPU: 1715.93, 0.0029778/step Wall: 1715.93, 0.0029778/step, 3.65641 hours remaining, 206.363281 MB of memory in use. ENERGY: 579600 766.2413 2095.8007 1941.2855 117.9517 -206147.7404 17834.5246 0.0000 0.0000 34223.0403 -149168.8964 298.8783 -183391.9367 -149074.6160 299.3587 -33.9907 -3.6106 557335.4899 -8.9292 -8.7919 PRESSURE: 579800 -176.734 -24.8832 -18.6956 -24.8829 -221.812 56.425 -18.6955 56.4258 209.287 GPRESSURE: 579800 -106.628 71.2917 -75.8891 -115.987 -190.357 54.2354 44.1965 138.173 206.459 PRESSAVG: 579800 -11.2573 -45.8179 3.69557 -45.8179 3.90314 -54.3345 3.69542 -54.3345 -5.50106 GPRESSAVG: 579800 -12.0388 -43.7602 4.55071 -49.0258 4.53814 -54.8619 2.13459 -53.5478 -5.38318 TIMING: 579800 CPU: 1716.53, 0.00297431/step Wall: 1716.53, 0.00297431/step, 3.65196 hours remaining, 206.363281 MB of memory in use. ENERGY: 579800 771.7702 2115.5843 1967.8257 111.3880 -206152.8397 17864.6958 0.0000 0.0000 34164.3556 -149157.2200 298.3658 -183321.5757 -149052.6785 299.5835 -63.0861 -30.1754 558694.9853 -4.2851 -4.2946 PRESSURE: 580000 -7.77976 -22.5514 -124.515 -22.5522 -297.78 -224.85 -124.515 -224.85 73.1451 GPRESSURE: 580000 31.4467 -42.4312 -49.2177 -20.3019 -251.993 -230.958 -183.137 -261.13 82.9608 PRESSAVG: 580000 -28.4952 2.46312 23.9924 2.46306 -60.1049 -13.6685 23.9923 -13.6686 60.5619 GPRESSAVG: 580000 -27.8129 2.55746 24.5949 3.06422 -60.5008 -14.3588 24.6069 -11.8092 60.2594 TIMING: 580000 CPU: 1717.12, 0.00293651/step Wall: 1717.12, 0.00293651/step, 3.60538 hours remaining, 206.363281 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: 580000 762.1119 2119.9446 1936.1399 100.3491 -206398.4577 17929.6441 0.0000 0.0000 34463.0382 -149087.2298 300.9743 -183550.2680 -148986.9562 299.4691 -77.4716 -45.8617 558408.1640 -9.3460 -9.3514 PRESSURE: 580200 -93.4652 -127.029 -44.0692 -127.029 -28.9589 -5.72597 -44.0702 -5.72628 101.448 GPRESSURE: 580200 -1.34954 -78.475 -25.7727 -193.963 -9.50135 17.5014 -29.9341 6.84925 82.0845 PRESSAVG: 580200 -35.7165 -28.2888 11.4655 -28.2887 13.2084 -1.5447 11.4654 -1.54474 24.9498 GPRESSAVG: 580200 -36.5291 -30.9422 12.6337 -25.4473 14.3649 -2.54926 12.2659 -0.450255 24.2422 TIMING: 580200 CPU: 1717.71, 0.00296883/step Wall: 1717.71, 0.00296883/step, 3.64489 hours remaining, 206.363281 MB of memory in use. ENERGY: 580200 768.8896 2060.8262 1974.0254 104.2770 -206371.5320 17946.5892 0.0000 0.0000 34203.4524 -149313.4723 298.7073 -183516.9247 -149214.7298 299.4276 -6.9920 23.7445 557364.0368 0.8139 0.6927 LDB: ============= START OF LOAD BALANCING ============== 1721.14 LDB: ============== END OF LOAD BALANCING =============== 1721.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1721.14 LDB: ============= START OF LOAD BALANCING ============== 1721.44 LDB: Largest compute 4820 load 0.032416 is 27.5% of average load 0.117846 LDB: Average compute 0.001717 is 1.5% of average load 0.117846 LDB: TIME 1721.44 LOAD: AVG 0.117846 MAX 0.197946 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.977 MB LDB: TIME 1721.44 LOAD: AVG 0.117846 MAX 0.197946 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.98 MB LDB: TIME 1721.44 LOAD: AVG 0.117846 MAX 0.197946 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.98 MB LDB: ============== END OF LOAD BALANCING =============== 1721.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1721.45 PRESSURE: 580400 145.866 -5.434 15.9899 -5.43435 109.337 -71.0813 15.9909 -71.0812 20.7515 GPRESSURE: 580400 127.205 33.6261 -41.7429 67.5007 148.894 20.9456 20.7217 -134.5 100.038 PRESSAVG: 580400 -73.8985 -35.9233 5.87681 -35.9232 -42.2876 36.2948 5.87684 36.2947 47.4115 GPRESSAVG: 580400 -73.9763 -35.2063 5.45467 -37.8142 -43.7882 35.2505 5.16432 36.5204 48.7626 TIMING: 580400 CPU: 1718.32, 0.00303934/step Wall: 1718.32, 0.00303934/step, 3.73129 hours remaining, 206.234375 MB of memory in use. ENERGY: 580400 760.2565 2136.4933 1932.6411 116.5682 -206521.6414 18087.6083 0.0000 0.0000 34294.7429 -149193.3310 299.5045 -183488.0739 -149096.5429 298.2580 91.9848 125.3790 556407.5855 -22.9248 -23.0006 PRESSURE: 580600 32.5829 -51.917 48.396 -51.9169 -50.6759 217.853 48.3961 217.854 -106.97 GPRESSURE: 580600 29.4453 -9.05512 157.203 -82.3916 12.3329 268.863 20.6472 188.368 -84.6017 PRESSAVG: 580600 56.4368 -1.02729 70.6354 -1.02723 29.3061 19.2736 70.6354 19.2737 -23.0356 GPRESSAVG: 580600 56.7437 -1.15333 69.2825 -1.78966 30.7002 23.574 70.4987 15.5185 -24.6527 TIMING: 580600 CPU: 1718.92, 0.0029872/step Wall: 1718.92, 0.0029872/step, 3.66712 hours remaining, 206.234375 MB of memory in use. ENERGY: 580600 749.3118 2118.7603 1930.5001 122.0966 -205758.0397 17648.5599 0.0000 0.0000 34029.1157 -149159.6954 297.1847 -183188.8110 -149057.4503 298.5848 -41.6875 -14.2745 558148.2550 20.9024 20.9304 PRESSURE: 580800 -120.437 49.4999 147.004 49.5005 203.013 -3.61676 147.004 -3.61731 -118.108 GPRESSURE: 580800 -78.9844 29.976 130.419 89.149 233.732 -45.1093 155.046 83.0924 -104.231 PRESSAVG: 580800 14.5049 -9.55885 -5.49475 -9.55883 -8.18043 -36.1159 -5.49477 -36.1159 6.95728 GPRESSAVG: 580800 14.5598 -9.6334 -4.9043 -8.18596 -8.55632 -39.3469 -5.55676 -33.1094 6.84901 TIMING: 580800 CPU: 1719.51, 0.00298509/step Wall: 1719.51, 0.00298509/step, 3.66436 hours remaining, 206.234375 MB of memory in use. ENERGY: 580800 733.8651 2099.2530 1959.1866 119.9426 -206373.9187 17890.3371 0.0000 0.0000 34502.5849 -149068.7494 301.3197 -183571.3343 -148971.1311 299.8559 -11.8442 16.8390 557979.1339 4.4273 4.2842 PRESSURE: 581000 -65.1552 -182.514 140.267 -182.516 -207.413 179.258 140.267 179.26 -20.0643 GPRESSURE: 581000 -63.7434 -167.226 94.8604 -142.964 -145.314 100.02 193.909 124.552 16.9215 PRESSAVG: 581000 -5.15565 -14.8395 49.4032 -14.8396 -48.9751 23.8605 49.4032 23.8604 37.7202 GPRESSAVG: 581000 -5.85511 -15.0324 49.3956 -15.0473 -49.0749 25.9335 50.5134 23.4811 38.5688 TIMING: 581000 CPU: 1720.11, 0.00296313/step Wall: 1720.11, 0.00296313/step, 3.63724 hours remaining, 206.234375 MB of memory in use. ENERGY: 581000 755.7418 2062.0249 1943.3246 106.7755 -205791.4638 17596.8853 0.0000 0.0000 34358.9171 -148967.7946 300.0650 -183326.7117 -148872.3872 300.1345 -97.5441 -64.0453 558457.3757 -5.4702 -5.4537 PRESSURE: 581200 -52.4332 92.3256 140.296 92.3262 240.949 -215.545 140.297 -215.545 184.995 GPRESSURE: 581200 -26.9766 125.906 30.6326 120.938 287.777 -98.546 177.804 -291.285 216.466 PRESSAVG: 581200 35.654 -16.3425 20.0757 -16.3426 -22.6514 -22.4867 20.0758 -22.4866 -34.435 GPRESSAVG: 581200 36.2288 -14.4986 21.1766 -17.519 -22.7834 -25.0974 18.0173 -21.4546 -34.715 TIMING: 581200 CPU: 1720.7, 0.00298767/step Wall: 1720.7, 0.00298767/step, 3.6672 hours remaining, 206.234375 MB of memory in use. ENERGY: 581200 717.7907 2072.2905 1935.5914 106.2930 -206159.2580 18015.0335 0.0000 0.0000 34329.7054 -148982.5535 299.8099 -183312.2589 -148884.7082 299.7938 124.5035 159.0887 557872.5571 -7.1441 -7.0899 PRESSURE: 581400 -3.7324 -141.218 15.4611 -141.217 18.5182 52.3167 15.46 52.3191 97.2022 GPRESSURE: 581400 81.9675 -155.572 48.2149 -112.024 58.3738 73.0088 -34.761 -30.9265 82.3585 PRESSAVG: 581400 -45.3591 0.574036 40.8475 0.574079 17.0798 -31.667 40.8475 -31.6671 22.1817 GPRESSAVG: 581400 -44.4173 -0.390769 38.9627 0.531002 16.1864 -31.1828 41.5885 -33.5834 22.3499 TIMING: 581400 CPU: 1721.3, 0.00299897/step Wall: 1721.3, 0.00299897/step, 3.6809 hours remaining, 206.234375 MB of memory in use. ENERGY: 581400 721.8926 2187.9518 1929.7610 109.3347 -206260.8236 17770.1702 0.0000 0.0000 34478.8079 -149062.9053 301.1120 -183541.7132 -148963.6594 299.4802 37.3293 74.2333 557442.3599 -2.0325 -1.9604 PRESSURE: 581600 -58.3449 -1.24722 59.1325 -1.24634 -172.412 -56.4309 59.1331 -56.4322 -95.3488 GPRESSURE: 581600 -72.4561 45.1467 42.8246 -10.2422 -100.367 -45.5365 51.2051 -99.6449 -47.9268 PRESSAVG: 581600 29.0835 15.4497 -3.45457 15.4498 -23.4922 -48.5645 -3.45461 -48.5645 -16.879 GPRESSAVG: 581600 28.5386 13.9045 0.423992 16.1527 -21.9962 -47.1954 -3.64427 -49.5389 -16.6545 TIMING: 581600 CPU: 1721.9, 0.00296295/step Wall: 1721.9, 0.00296295/step, 3.63653 hours remaining, 206.234375 MB of memory in use. ENERGY: 581600 763.6539 2099.0191 1956.3354 107.0185 -205798.7025 17491.8930 0.0000 0.0000 34294.1607 -149086.6217 299.4994 -183380.7825 -148984.9562 299.3852 -108.7018 -73.5832 555807.4255 -3.7626 -3.3707 PRESSURE: 581800 48.0503 8.0907 64.7764 8.09007 -33.1624 -138.029 64.7757 -138.028 -112.585 GPRESSURE: 581800 71.2793 24.8827 114.168 38.6665 -19.9465 -58.3638 90.5215 -43.6338 -72.4312 PRESSAVG: 581800 -7.30936 -32.1491 -43.6785 -32.149 52.5452 -20.3611 -43.6786 -20.3611 -8.82791 GPRESSAVG: 581800 -7.17056 -30.3401 -44.5902 -31.7653 51.4414 -19.9925 -43.5636 -19.895 -8.60825 TIMING: 581800 CPU: 1722.49, 0.00297121/step Wall: 1722.49, 0.00297121/step, 3.6465 hours remaining, 206.234375 MB of memory in use. ENERGY: 581800 772.7216 2150.9146 1963.8215 121.7829 -206098.2476 17662.4783 0.0000 0.0000 34318.1254 -149108.4034 299.7087 -183426.5287 -149013.1363 299.8166 -32.5658 -7.0328 555295.1842 12.1360 11.8875 PRESSURE: 582000 13.97 9.15156 -57.839 9.15313 42.8643 50.6939 -57.8389 50.6925 161.036 GPRESSURE: 582000 37.1851 60.1496 3.19405 -95.5396 78.8221 -38.6301 -90.015 23.247 182.889 PRESSAVG: 582000 -8.77565 0.117017 21.3196 0.117005 34.4533 -55.9813 21.3195 -55.9812 44.7429 GPRESSAVG: 582000 -9.22318 2.28504 20.254 -1.02345 34.2374 -56.771 21.3502 -54.5698 45.1361 TIMING: 582000 CPU: 1723.09, 0.00300555/step Wall: 1723.09, 0.00300555/step, 3.68848 hours remaining, 206.234375 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: 582000 740.1055 2147.6146 1945.4086 114.4446 -206174.2206 17856.3197 0.0000 0.0000 34252.4296 -149117.8980 299.1350 -183370.3276 -149025.0504 299.8355 72.6235 99.6321 556163.6933 23.4735 23.3834 PRESSURE: 582200 -162.643 -36.9564 196.37 -36.9549 -108.258 45.4604 196.372 45.4608 -279.992 GPRESSURE: 582200 -77.9626 15.5197 172.4 -64.2602 -119.914 -43.1311 146.268 -14.8188 -259.328 PRESSAVG: 582200 -19.5938 0.287107 -5.38203 0.287054 -9.35501 -6.21112 -5.38208 -6.21108 53.4493 GPRESSAVG: 582200 -20.5927 -3.24974 -5.73302 4.37876 -8.95207 -5.64031 -3.57179 -7.70291 54.4282 TIMING: 582200 CPU: 1723.69, 0.00297905/step Wall: 1723.69, 0.00297905/step, 3.65579 hours remaining, 206.234375 MB of memory in use. ENERGY: 582200 755.8234 2146.2702 1952.5697 120.1996 -205766.7222 17404.0165 0.0000 0.0000 34164.2162 -149223.6265 298.3646 -183387.8427 -149133.3759 299.1844 -183.6313 -152.4015 556981.3400 8.1668 8.2945 PRESSURE: 582400 84.1876 -7.98846 -48.7943 -7.98932 19.5452 -15.9262 -48.7955 -15.9258 50.6318 GPRESSURE: 582400 70.063 -40.8685 -21.5929 -0.550125 52.306 -7.72018 -34.3144 34.5732 138.181 PRESSAVG: 582400 -10.0253 17.388 22.4384 17.3881 -15.821 -71.6925 22.4382 -71.6925 -23.0891 GPRESSAVG: 582400 -9.53414 19.0991 22.2863 15.5007 -15.1626 -69.2779 22.7828 -69.7084 -24.2816 TIMING: 582400 CPU: 1724.28, 0.00298883/step Wall: 1724.28, 0.00298882/step, 3.66762 hours remaining, 206.234375 MB of memory in use. ENERGY: 582400 754.4883 2093.6191 1970.0524 123.5464 -206610.4799 17994.8119 0.0000 0.0000 34432.1923 -149241.7695 300.7049 -183673.9618 -149144.7981 299.3301 51.4549 86.8500 556709.8161 -16.3118 -16.3261 PRESSURE: 582600 -188.816 147.463 68.751 147.463 113.292 -5.07085 68.7515 -5.07071 -136.218 GPRESSURE: 582600 -163.066 129.825 47.0342 142.809 153.146 -5.34595 78.9434 11.6142 -99.7159 PRESSAVG: 582600 -34.5337 -24.8116 0.146427 -24.8116 9.25273 -9.53915 0.146428 -9.53917 36.8469 GPRESSAVG: 582600 -34.8289 -25.9382 1.96755 -25.5398 9.22072 -9.79143 -1.03172 -10.7706 36.9813 TIMING: 582600 CPU: 1724.88, 0.00297379/step Wall: 1724.88, 0.00297379/step, 3.649 hours remaining, 206.234375 MB of memory in use. ENERGY: 582600 720.9811 2129.6628 1934.7489 107.4609 -206033.6533 17685.2231 0.0000 0.0000 34056.4800 -149399.0964 297.4237 -183455.5765 -149303.1360 298.5877 -70.5807 -36.5452 558146.4367 3.8553 3.7910 PRESSURE: 582800 -107.585 -100.406 -177.277 -100.405 -318.016 91.8305 -177.277 91.8294 -283.679 GPRESSURE: 582800 -67.8529 -130.277 -234.508 -33.0107 -306.182 161.185 -178.879 45.7488 -244.279 PRESSAVG: 582800 19.0509 -16.5467 -62.4528 -16.5467 21.0354 43.6314 -62.4528 43.6313 -24.9801 GPRESSAVG: 582800 20.3774 -18.1316 -63.2509 -15.6124 20.9825 40.85 -63.0604 45.0792 -26.264 TIMING: 582800 CPU: 1725.48, 0.00298335/step Wall: 1725.48, 0.00298335/step, 3.66057 hours remaining, 206.234375 MB of memory in use. ENERGY: 582800 743.9648 2147.5372 1944.3411 118.3115 -205913.4947 17474.5891 0.0000 0.0000 34305.1082 -149179.6427 299.5950 -183484.7509 -149083.6771 298.2138 -236.4264 -206.1047 557948.6394 5.0354 5.0319 PRESSURE: 583000 -113.647 -63.4634 241.913 -63.4629 -124.67 -67.4938 241.913 -67.4936 -111.021 GPRESSURE: 583000 -100.502 -77.134 129.945 62.5867 -87.1754 -38.317 197.456 -9.94894 -63.0317 PRESSAVG: 583000 46.2162 8.2774 -13.669 8.2774 2.84841 89.212 -13.6691 89.212 -37.7906 GPRESSAVG: 583000 45.1652 10.3213 -16.591 8.62676 3.62482 89.4735 -12.4033 89.0321 -37.4415 TIMING: 583000 CPU: 1726.07, 0.00296235/step Wall: 1726.07, 0.00296235/step, 3.63464 hours remaining, 206.234375 MB of memory in use. ENERGY: 583000 759.8810 2160.5138 1896.1313 116.8837 -206133.6427 17541.7869 0.0000 0.0000 34518.2466 -149140.1995 301.4564 -183658.4461 -149049.9661 299.8140 -116.4458 -83.5695 557075.0271 3.7580 3.7829 PRESSURE: 583200 -174.394 -116.215 -25.4098 -116.214 121.654 -60.5816 -25.411 -60.5814 -2.48387 GPRESSURE: 583200 -76.0308 -86.6251 -76.9849 -131.69 146.315 -89.9951 -100.465 -21.9262 -17.6543 PRESSAVG: 583200 27.6562 -24.4014 -49.2715 -24.4013 -42.8859 34.2396 -49.2715 34.2396 -39.9705 GPRESSAVG: 583200 29.1932 -25.0354 -47.4741 -25.2726 -44.4481 33.3033 -51.6733 35.4699 -39.571 TIMING: 583200 CPU: 1726.66, 0.00297236/step Wall: 1726.66, 0.00297236/step, 3.64676 hours remaining, 206.234375 MB of memory in use. ENERGY: 583200 741.6465 2160.5133 1952.8335 122.4665 -206279.1233 17674.3501 0.0000 0.0000 34227.1338 -149400.1795 298.9141 -183627.3134 -149302.5681 299.5011 -18.4080 17.5432 557085.6915 -18.4000 -18.2753 PRESSURE: 583400 -67.0067 -82.1966 11.8569 -82.1961 12.0971 -130.28 11.858 -130.281 -27.6996 GPRESSURE: 583400 5.7097 12.916 22.9367 -109.422 77.648 -51.2918 23.2342 -181.741 -66.6355 PRESSAVG: 583400 8.02333 -1.7409 -68.5206 -1.74094 52.8336 7.28463 -68.5206 7.28457 -67.4031 GPRESSAVG: 583400 6.45109 -0.496944 -67.1695 -3.3798 54.2592 8.09715 -68.4227 5.57164 -67.1778 TIMING: 583400 CPU: 1727.26, 0.0029842/step Wall: 1727.26, 0.0029842/step, 3.66111 hours remaining, 206.234375 MB of memory in use. ENERGY: 583400 750.9870 2058.3728 1943.7504 123.9638 -206409.8834 17913.6168 0.0000 0.0000 34389.6542 -149229.5384 300.3334 -183619.1927 -149131.6809 298.8571 -27.5364 5.5741 558075.3677 -2.1821 -2.1558 PRESSURE: 583600 39.0899 12.5683 -44.0687 12.5677 -103.379 -25.6942 -44.0684 -25.6947 -13.901 GPRESSURE: 583600 22.4952 -42.7991 -19.4393 27.5413 -14.4331 -32.1375 -46.0894 24.1012 16.5753 PRESSAVG: 583600 18.9704 -46.2612 -13.7945 -46.2613 31.1528 -35.3562 -13.7945 -35.3563 -54.7676 GPRESSAVG: 583600 20.4369 -45.4424 -14.6318 -45.9268 30.4393 -36.0644 -10.9676 -36.4333 -54.8206 TIMING: 583600 CPU: 1727.86, 0.00297919/step Wall: 1727.86, 0.00297919/step, 3.6548 hours remaining, 206.234375 MB of memory in use. ENERGY: 583600 743.9843 2121.2366 1930.5530 104.4849 -205882.7925 17683.9993 0.0000 0.0000 34252.6271 -149045.9072 299.1367 -183298.5343 -148945.6732 299.0491 -26.0634 8.2125 556532.2559 -1.5481 -1.3148 PRESSURE: 583800 -191.38 -73.8436 51.5329 -73.8429 35.5998 256.475 51.533 256.476 -414.239 GPRESSURE: 583800 -128.617 -91.0859 30.061 -87.7854 66.8869 328.983 11.29 269.429 -404.443 PRESSAVG: 583800 -7.07666 -35.2729 45.1457 -35.2731 74.0837 -38.0719 45.1456 -38.0719 -62.5167 GPRESSAVG: 583800 -7.75608 -35.3924 44.9629 -34.793 74.1529 -35.5426 45.4713 -37.6359 -62.1637 TIMING: 583800 CPU: 1728.45, 0.00296826/step Wall: 1728.45, 0.00296826/step, 3.64123 hours remaining, 206.234375 MB of memory in use. ENERGY: 583800 751.0402 2103.8777 1948.4432 115.3188 -205634.4907 17378.9667 0.0000 0.0000 34086.7287 -149250.1154 297.6879 -183336.8442 -149145.6018 299.2216 -190.0064 -155.3910 558899.7884 1.4968 1.4110 PRESSURE: 584000 157.967 -16.3599 -3.86464 -16.3604 -35.4314 -156.071 -3.86568 -156.07 -191.414 GPRESSURE: 584000 188.984 51.7803 15.9563 -118.319 -49.805 -148.163 -24.0238 -177.72 -103.077 PRESSAVG: 584000 32.1826 -1.29685 -52.644 -1.29699 43.2223 -33.6138 -52.644 -33.6138 -19.7148 GPRESSAVG: 584000 33.061 -3.07122 -53.9359 -0.671448 43.0571 -36.6751 -55.233 -31.8319 -20.3763 TIMING: 584000 CPU: 1729.04, 0.00297533/step Wall: 1729.04, 0.00297533/step, 3.64974 hours remaining, 206.234375 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: 584000 770.4835 2111.5934 1928.9676 116.9275 -206564.8711 17946.5902 0.0000 0.0000 34195.3654 -149494.9435 298.6366 -183690.3089 -149390.7435 299.1142 -22.9595 12.0340 557648.4442 18.5634 18.5806 PRESSURE: 584200 16.0112 130.435 139.157 130.436 208.863 -114.467 139.156 -114.467 395.628 GPRESSURE: 584200 25.0943 84.5998 160.73 138.938 240.252 -77.2114 59.401 -77.5532 442.991 PRESSAVG: 584200 31.2614 20.1331 29.1774 20.1331 15.4831 -38.738 29.1774 -38.7378 -17.567 GPRESSAVG: 584200 31.9131 20.0243 31.4291 18.2065 14.6126 -37.5826 30.5273 -39.5754 -16.7481 TIMING: 584200 CPU: 1729.64, 0.00297221/step Wall: 1729.64, 0.00297221/step, 3.64575 hours remaining, 206.234375 MB of memory in use. ENERGY: 584200 716.2724 2087.1350 1940.7329 111.0158 -206741.1872 18069.3749 0.0000 0.0000 34313.3263 -149503.3298 299.6668 -183816.6561 -149402.8204 297.8585 206.8342 236.1122 556486.6772 9.7258 9.9259 LDB: ============= START OF LOAD BALANCING ============== 1733.06 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1733.06 LDB: =============== DONE WITH MIGRATION ================ 1733.07 LDB: ============= START OF LOAD BALANCING ============== 1733.36 LDB: Largest compute 4820 load 0.030561 is 25.9% of average load 0.117900 LDB: Average compute 0.001708 is 1.4% of average load 0.117900 LDB: TIME 1733.37 LOAD: AVG 0.1179 MAX 0.19716 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.977 MB LDB: TIME 1733.37 LOAD: AVG 0.1179 MAX 0.19716 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.977 MB LDB: TIME 1733.37 LOAD: AVG 0.1179 MAX 0.19716 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1733.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1733.37 PRESSURE: 584400 140.424 43.5472 27.3157 43.5458 -44.7838 41.2303 27.3162 41.2295 -122.133 GPRESSURE: 584400 165.216 -5.46053 8.65101 41.5087 -4.02518 49.3804 20.5658 -39.5742 -89.0106 PRESSAVG: 584400 37.6671 -30.6087 -13.8352 -30.6087 -0.657143 45.0998 -13.8352 45.0997 -12.4162 GPRESSAVG: 584400 37.3789 -30.0335 -15.3604 -29.607 0.16517 44.0734 -13.5843 45.0288 -12.8313 TIMING: 584400 CPU: 1730.24, 0.0030212/step Wall: 1730.24, 0.0030212/step, 3.70567 hours remaining, 206.550781 MB of memory in use. ENERGY: 584400 716.2012 2117.5261 1926.6617 104.3195 -206099.6416 17703.3553 0.0000 0.0000 34149.6295 -149381.9483 298.2372 -183531.5778 -149290.3998 297.7940 -8.8309 24.0602 557250.2817 8.1979 8.2376 PRESSURE: 584600 -250.618 3.30657 104.032 3.30686 51.6184 68.5648 104.034 68.5648 175.671 GPRESSURE: 584600 -189.224 -53.3032 151.268 4.38517 80.9747 2.9739 36.8896 178.082 188.057 PRESSAVG: 584600 23.1528 -36.4679 -1.0509 -36.4679 -47.196 78.1119 -1.05084 78.1119 -12.8994 GPRESSAVG: 584600 22.868 -37.6243 0.122327 -37.0392 -47.8079 80.299 -0.669377 77.4831 -11.9117 TIMING: 584600 CPU: 1730.84, 0.00297154/step Wall: 1730.84, 0.00297154/step, 3.6446 hours remaining, 206.687500 MB of memory in use. ENERGY: 584600 749.5556 2092.7460 1944.1875 109.1208 -206043.6987 17687.2054 0.0000 0.0000 34051.9808 -149408.9025 297.3844 -183460.8834 -149308.7613 297.9984 -7.7761 26.6028 556622.4208 -12.3142 -12.2839 PRESSURE: 584800 64.6027 -94.361 32.9098 -94.3615 -192.694 21.3377 32.9087 21.3353 -318.231 GPRESSURE: 584800 96.9207 -25.2587 5.92564 -138.928 -116.861 61.8571 -13.8677 66.9522 -330.771 PRESSAVG: 584800 10.4622 -10.5312 -4.80419 -10.5313 -25.914 55.4218 -4.80419 55.4216 8.55045 GPRESSAVG: 584800 11.0657 -7.12329 -5.2726 -10.1207 -26.2393 55.4341 -7.79123 55.8582 8.7226 TIMING: 584800 CPU: 1731.43, 0.00296194/step Wall: 1731.43, 0.00296194/step, 3.63265 hours remaining, 206.687500 MB of memory in use. ENERGY: 584800 717.2689 2143.3209 1926.9229 119.4683 -206047.4578 17552.0271 0.0000 0.0000 34147.3864 -149441.0633 298.2176 -183588.4497 -149345.4184 298.1737 -148.7743 -116.9038 557045.8179 -2.3005 -2.1503 PRESSURE: 585000 -162.382 -30.3908 -244.226 -30.391 -12.5699 71.795 -244.226 71.7965 165.917 GPRESSURE: 585000 -91.3196 -62.288 -97.0534 -87.5907 29.9671 100.007 -306.806 74.102 150.89 PRESSAVG: 585000 81.1115 -22.2603 6.83092 -22.2602 -15.2889 -1.96678 6.83089 -1.96678 -48.5067 GPRESSAVG: 585000 80.4325 -23.9277 6.24445 -23.2424 -13.3723 -1.35244 8.2599 -3.0375 -50.1513 TIMING: 585000 CPU: 1732.02, 0.00295943/step Wall: 1732.02, 0.00295943/step, 3.62942 hours remaining, 206.687500 MB of memory in use. ENERGY: 585000 770.5654 2092.4020 1959.2492 109.6809 -206105.9150 17880.1826 0.0000 0.0000 33781.0267 -149512.8083 295.0181 -183293.8350 -149417.2031 297.7842 -3.0117 29.8459 557512.0754 5.7720 5.6363 PRESSURE: 585200 158.367 3.37066 32.8643 3.37006 -160.433 185.422 32.8643 185.422 199.089 GPRESSURE: 585200 175.766 -3.9498 40.1047 25.1598 -106.56 131.384 61.5313 234.538 232.653 PRESSAVG: 585200 14.6946 40.4727 -28.3931 40.4727 51.2122 -29.6427 -28.3931 -29.6427 -9.96833 GPRESSAVG: 585200 15.3577 38.6962 -28.2974 43.2037 50.2388 -31.3637 -27.6508 -27.5445 -9.83842 TIMING: 585200 CPU: 1732.62, 0.00298584/step Wall: 1732.62, 0.00298584/step, 3.66164 hours remaining, 206.687500 MB of memory in use. ENERGY: 585200 732.7340 2076.5213 1921.5964 117.0556 -206467.5002 17973.4085 0.0000 0.0000 34224.2666 -149421.9177 298.8890 -183646.1843 -149327.1192 298.1164 65.6744 100.6196 556963.5352 18.6462 18.5861 PRESSURE: 585400 -38.542 47.8136 -141.998 47.8126 -10.1418 -159.807 -141.998 -159.806 -101.263 GPRESSURE: 585400 -18.4014 60.5054 -73.4597 1.54684 38.3563 -133.326 -132.737 -189.906 -77.9546 PRESSAVG: 585400 -12.3127 -21.8486 7.7265 -21.8484 26.3208 1.4162 7.72662 1.41607 -28.2336 GPRESSAVG: 585400 -13.9179 -19.8039 7.39758 -23.3985 27.1268 0.646065 7.94812 1.98377 -28.0195 TIMING: 585400 CPU: 1733.21, 0.00297573/step Wall: 1733.21, 0.00297573/step, 3.64907 hours remaining, 206.687500 MB of memory in use. ENERGY: 585400 738.0602 2028.7777 1951.1445 115.1677 -206066.9984 17726.2440 0.0000 0.0000 34060.8872 -149446.7170 297.4622 -183507.6043 -149340.6123 298.2415 -49.9823 -19.3332 558703.5684 -4.7419 -4.9369 PRESSURE: 585600 121.222 59.3111 -55.6112 59.3103 74.0105 -17.0697 -55.6126 -17.0697 -139.443 GPRESSURE: 585600 129.243 -29.8771 -81.4974 25.7877 118.911 1.32797 -67.2272 -29.3233 -89.8784 PRESSAVG: 585600 45.8969 -6.52012 -20.229 -6.52011 -19.0858 -49.5135 -20.229 -49.5135 30.6656 GPRESSAVG: 585600 44.3847 -8.64263 -19.0432 -6.32842 -19.5477 -47.9821 -19.8803 -51.3433 32.5377 TIMING: 585600 CPU: 1733.8, 0.00295454/step Wall: 1733.8, 0.00295454/step, 3.62292 hours remaining, 206.687500 MB of memory in use. ENERGY: 585600 707.2685 2098.6735 1952.0527 115.2608 -206240.1314 17751.4478 0.0000 0.0000 34119.5479 -149495.8801 297.9745 -183615.4280 -149396.5609 298.5353 18.5966 52.7588 556909.5849 19.1589 19.1249 PRESSURE: 585800 -299.067 -34.8701 14.4647 -34.8703 -161.77 -79.7731 14.4646 -79.7725 -4.15951 GPRESSURE: 585800 -294.062 -79.1945 8.32195 62.1742 -62.3577 -106.755 91.6684 -124.92 -12.2599 PRESSAVG: 585800 23.9228 52.3716 -42.4237 52.3716 13.3693 -4.40304 -42.4236 -4.403 -32.184 GPRESSAVG: 585800 27.2187 53.8079 -43.1009 52.3096 12.9961 -5.26509 -43.174 -2.20913 -34.4559 TIMING: 585800 CPU: 1734.41, 0.00301177/step Wall: 1734.41, 0.00301177/step, 3.69293 hours remaining, 206.687500 MB of memory in use. ENERGY: 585800 757.0290 2079.1575 1966.5692 110.4085 -206340.6378 17673.5060 0.0000 0.0000 34208.4733 -149545.4943 298.7511 -183753.9675 -149454.4644 298.0696 -154.9988 -122.8931 557316.8000 1.7027 1.9196 PRESSURE: 586000 261.274 -89.0834 141.761 -89.0835 95.6351 6.84307 141.761 6.84267 -101.129 GPRESSURE: 586000 274.732 -47.06 98.755 -76.4035 138.407 -32.434 70.0574 1.51864 -70.4292 PRESSAVG: 586000 26.2112 7.56773 -4.41159 7.5678 -45.2712 18.8513 -4.41158 18.8511 14.0942 GPRESSAVG: 586000 23.6605 8.28989 -5.88053 6.82478 -45.1681 19.073 -3.60261 18.0235 16.4637 TIMING: 586000 CPU: 1735.01, 0.00301588/step Wall: 1735.01, 0.00301588/step, 3.69781 hours remaining, 206.687500 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: 586000 742.4973 2053.4258 1959.8850 119.6527 -206315.3200 18025.4500 0.0000 0.0000 34191.9484 -149222.4607 298.6068 -183414.4091 -149123.8648 298.0189 85.2602 114.2366 557286.6025 -1.6552 -1.6813 PRESSURE: 586200 454.098 -6.01827 -42.6164 -6.01782 152.428 168.228 -42.6172 168.226 54.4522 GPRESSURE: 586200 485.631 -101.421 -16.591 -32.2415 149.133 209.958 -16.6453 155.49 119.268 PRESSAVG: 586200 -70.2655 -58.0908 -15.695 -58.0908 6.1464 10.1968 -15.695 10.1968 57.4285 GPRESSAVG: 586200 -68.5321 -57.9671 -18.626 -58.9216 5.80806 10.4842 -15.4001 9.82448 56.3173 TIMING: 586200 CPU: 1735.61, 0.0029779/step Wall: 1735.61, 0.0029779/step, 3.65107 hours remaining, 206.687500 MB of memory in use. ENERGY: 586200 777.0384 2042.9401 1931.3277 103.6377 -206497.7510 18133.7258 0.0000 0.0000 34189.1075 -149319.9737 298.5820 -183509.0812 -149223.2431 298.4265 220.3261 251.3438 555130.7994 -2.2302 -2.1356 PRESSURE: 586400 15.258 -61.9337 -16.263 -61.934 -35.3927 82.6109 -16.2641 82.6115 100.127 GPRESSURE: 586400 108.031 -93.8496 47.6045 3.97939 -44.645 88.387 -28.2281 1.56405 110.5 PRESSAVG: 586400 49.6512 -32.5267 3.32127 -32.5265 -42.2502 25.5316 3.32126 25.5316 15.1242 GPRESSAVG: 586400 49.144 -31.9875 8.65222 -30.125 -41.9787 25.9368 2.10474 24.0999 15.2628 TIMING: 586400 CPU: 1736.2, 0.00298617/step Wall: 1736.2, 0.00298617/step, 3.66104 hours remaining, 206.687500 MB of memory in use. ENERGY: 586400 727.0684 2052.5275 1949.6040 110.4525 -205939.6629 17758.7008 0.0000 0.0000 34125.4609 -149215.8488 298.0261 -183341.3097 -149121.7213 298.7162 26.6640 57.9620 556773.6715 7.5084 7.4760 PRESSURE: 586600 -194.36 -45.0516 -152.545 -45.051 -474.397 -67.2674 -152.546 -67.2661 143.084 GPRESSURE: 586600 -237.418 48.8336 -134.534 -22.078 -395.578 20.9005 -208.946 -123.084 204.039 PRESSAVG: 586600 59.152 -35.5846 -91.0006 -35.5847 -2.35461 28.2478 -91.0006 28.2476 -0.628334 GPRESSAVG: 586600 58.9529 -36.4676 -92.6296 -36.2866 -3.13831 29.0341 -92.1857 29.4099 -0.0821909 TIMING: 586600 CPU: 1736.8, 0.00299275/step Wall: 1736.8, 0.00299275/step, 3.66894 hours remaining, 206.687500 MB of memory in use. ENERGY: 586600 774.4514 2055.3013 1938.0556 113.8012 -205956.2381 17555.8851 0.0000 0.0000 34279.0030 -149239.7406 299.3671 -183518.7436 -149140.2234 298.6711 -175.2244 -142.9857 557706.4309 18.7230 18.5775 PRESSURE: 586800 51.7889 -45.1648 103.614 -45.1647 84.39 79.1907 103.613 79.1903 76.3441 GPRESSURE: 586800 114.44 -150.505 54.2531 -40.8643 91.3713 135.765 125.956 67.8732 118.225 PRESSAVG: 586800 -17.1268 -59.4992 -1.24057 -59.4992 -22.4887 13.5858 -1.24063 13.5858 43.1401 GPRESSAVG: 586800 -16.221 -58.5744 -0.98427 -59.5739 -20.9811 13.135 0.457234 11.9385 40.4265 TIMING: 586800 CPU: 1737.4, 0.00298724/step Wall: 1737.4, 0.00298724/step, 3.66202 hours remaining, 206.687500 MB of memory in use. ENERGY: 586800 717.6491 2051.6908 1938.9891 112.1711 -206372.3190 17949.9380 0.0000 0.0000 34623.1691 -148978.7118 302.3727 -183601.8809 -148885.8241 299.4206 70.8410 108.0122 558236.5163 1.1748 1.0748 PRESSURE: 587000 -278.22 -94.9292 -40.2872 -94.928 26.9868 22.3211 -40.286 22.321 -3.20197 GPRESSURE: 587000 -238.922 -89.7034 -20.0429 -43.6944 60.3344 55.308 -70.2931 -58.0876 23.0429 PRESSAVG: 587000 45.8425 -11.8951 47.0516 -11.8951 -30.6292 42.5089 47.0516 42.5088 -12.0292 GPRESSAVG: 587000 44.7596 -11.6399 47.4124 -14.89 -30.6792 43.6742 47.0854 41.7266 -10.3917 TIMING: 587000 CPU: 1738, 0.00298769/step Wall: 1738, 0.00298769/step, 3.66241 hours remaining, 206.687500 MB of memory in use. ENERGY: 587000 728.6315 2111.4370 1948.3873 133.9553 -206004.2464 17758.8103 0.0000 0.0000 34289.8860 -149033.1391 299.4621 -183323.0251 -148938.1860 300.6592 -84.8116 -51.8481 558259.9581 1.0613 1.2295 PRESSURE: 587200 -25.2242 -69.7499 55.3926 -69.75 28.3508 50.9206 55.3926 50.9204 -219.069 GPRESSURE: 587200 7.06473 -48.1662 10.9401 -101.563 46.4222 3.77931 61.1412 -52.4256 -173.731 PRESSAVG: 587200 -2.02299 -12.1541 23.5124 -12.1541 -11.2717 62.342 23.5125 62.3421 -7.3597 GPRESSAVG: 587200 -1.54986 -12.2025 22.2097 -10.5309 -11.9165 60.7375 24.2437 63.9345 -7.11848 TIMING: 587200 CPU: 1738.59, 0.00297728/step Wall: 1738.59, 0.00297728/step, 3.64948 hours remaining, 206.687500 MB of memory in use. ENERGY: 587200 750.8654 2048.2763 1944.2141 107.8209 -205704.3437 17540.9927 0.0000 0.0000 34213.5678 -149098.6065 298.7956 -183312.1743 -149001.7546 299.9957 -71.9807 -40.0815 557464.7786 -6.8848 -6.8616 PRESSURE: 587400 14.3398 2.24014 5.41658 2.24053 129.155 -112.142 5.41635 -112.143 138.862 GPRESSURE: 587400 46.1374 -3.51637 -85.7066 74.5711 171.375 -75.7734 77.1053 -124.943 167.379 PRESSAVG: 587400 18.6816 22.8422 10.4909 22.8422 -11.2951 -12.594 10.4909 -12.5939 20.2972 GPRESSAVG: 587400 18.9127 22.5777 11.7226 24.3728 -12.197 -13.3829 9.87282 -11.7422 20.4031 TIMING: 587400 CPU: 1739.18, 0.00295018/step Wall: 1739.18, 0.00295018/step, 3.6161 hours remaining, 206.687500 MB of memory in use. ENERGY: 587400 759.8077 2054.9304 1968.5081 114.0570 -206194.5367 17968.2053 0.0000 0.0000 34200.3375 -149128.6908 298.6801 -183329.0283 -149033.7210 299.2284 94.1188 128.2972 556908.0283 9.2279 9.0396 PRESSURE: 587600 -2.16585 -95.9261 -85.4223 -95.925 83.5344 11.9518 -85.4217 11.9522 74.0026 GPRESSURE: 587600 34.3032 -78.9513 -41.814 -105.978 136.31 1.63805 -90.012 -0.393215 78.0455 PRESSAVG: 587600 -30.0725 38.0779 19.6421 38.0779 42.4048 -18.9764 19.6421 -18.9765 17.6777 GPRESSAVG: 587600 -30.1836 35.7608 20.9686 37.233 44.0593 -17.7167 17.3863 -19.569 15.8057 TIMING: 587600 CPU: 1739.77, 0.00296065/step Wall: 1739.77, 0.00296065/step, 3.62877 hours remaining, 206.687500 MB of memory in use. ENERGY: 587600 724.9006 2070.6851 1946.8490 113.8959 -206061.9310 17795.6617 0.0000 0.0000 34383.8586 -149026.0801 300.2828 -183409.9387 -148918.5900 299.7646 51.7904 82.8861 557864.6995 10.0033 9.8938 PRESSURE: 587800 -56.3172 42.4714 122.545 42.4715 9.51554 66.1648 122.546 66.1653 131.861 GPRESSURE: 587800 -30.2778 28.2814 47.7945 -33.4323 110.984 91.3527 155.331 47.8005 101.579 PRESSAVG: 587800 -17.7909 -31.0676 11.3863 -31.0677 18.9012 6.04137 11.3863 6.04138 -3.94629 GPRESSAVG: 587800 -18.2365 -29.5823 8.5059 -31.0161 18.876 5.89022 10.6619 6.21074 -3.41776 TIMING: 587800 CPU: 1740.37, 0.00298723/step Wall: 1740.37, 0.00298723/step, 3.66119 hours remaining, 206.687500 MB of memory in use. ENERGY: 587800 750.8060 2130.2955 1921.6632 126.6264 -206283.2137 17939.9338 0.0000 0.0000 34379.3170 -149034.5717 300.2431 -183413.8887 -148940.1792 300.3956 28.3532 60.7620 557154.1273 -0.9453 -0.9261 PRESSURE: 588000 107.821 15.0741 -34.7579 15.074 -29.4091 44.3871 -34.7577 44.3872 48.1431 GPRESSURE: 588000 187.26 -23.8977 -26.145 55.5549 -46.1129 -11.0061 -44.544 173.008 85.5532 PRESSAVG: 588000 -3.22153 55.4751 106.077 55.4751 6.96085 -21.5696 106.077 -21.5696 -4.64024 GPRESSAVG: 588000 -1.84619 53.8479 107.946 57.3259 5.98211 -19.9219 106.953 -23.7511 -5.23763 TIMING: 588000 CPU: 1740.96, 0.00295536/step Wall: 1740.96, 0.00295536/step, 3.62196 hours remaining, 206.687500 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: 588000 758.1784 2187.3628 1954.1367 131.3145 -206094.3115 17865.7723 0.0000 0.0000 34250.7061 -148946.8407 299.1199 -183197.5467 -148850.8960 300.4600 42.1850 75.5666 557151.6263 -0.3003 -0.3672 PRESSURE: 588200 -161.031 78.7343 -182.145 78.7341 168.721 -24.4601 -182.146 -24.4582 -225.829 GPRESSURE: 588200 -154.844 167.306 -214.933 26.4071 214.968 80.4614 -140.699 -10.3053 -179.74 PRESSAVG: 588200 -55.0605 28.6876 -48.5503 28.6875 10.0816 6.88166 -48.5503 6.8817 9.71824 GPRESSAVG: 588200 -55.5706 29.5189 -49.5021 27.2531 10.8328 6.31692 -47.3182 7.72152 9.83888 TIMING: 588200 CPU: 1741.56, 0.00297509/step Wall: 1741.56, 0.00297509/step, 3.64597 hours remaining, 206.687500 MB of memory in use. ENERGY: 588200 729.8467 2138.4340 1936.5205 121.9190 -205927.2089 17823.0819 0.0000 0.0000 34197.5846 -148979.8221 298.6560 -183177.4067 -148883.6680 299.3805 -72.7134 -39.8722 558706.9654 -11.7536 -11.6330 LDB: ============= START OF LOAD BALANCING ============== 1744.99 LDB: ============== END OF LOAD BALANCING =============== 1744.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1744.99 LDB: ============= START OF LOAD BALANCING ============== 1745.29 LDB: Largest compute 4820 load 0.032487 is 27.6% of average load 0.117912 LDB: Average compute 0.001714 is 1.5% of average load 0.117912 LDB: TIME 1745.29 LOAD: AVG 0.117912 MAX 0.198007 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.977 MB LDB: TIME 1745.29 LOAD: AVG 0.117912 MAX 0.198007 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: TIME 1745.29 LOAD: AVG 0.117912 MAX 0.198007 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.18 MB LDB: ============== END OF LOAD BALANCING =============== 1745.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1745.3 PRESSURE: 588400 -57.1129 -69.6007 -101.887 -69.6004 274.032 -72.9803 -101.887 -72.9796 9.37875 GPRESSURE: 588400 -36.5446 18.7685 -120.947 -118.532 287.096 -20.1908 -107.924 -71.246 78.5109 PRESSAVG: 588400 -24.7885 2.89425 -44.7471 2.89424 -8.78114 -2.9134 -44.7471 -2.91346 45.4809 GPRESSAVG: 588400 -24.2859 3.15679 -45.3651 2.93608 -9.49715 -5.08451 -44.4094 -0.681915 45.748 TIMING: 588400 CPU: 1742.17, 0.00304757/step Wall: 1742.17, 0.00304757/step, 3.73463 hours remaining, 206.101562 MB of memory in use. ENERGY: 588400 753.6735 2127.8567 1922.7974 112.5886 -205929.5198 17768.0697 0.0000 0.0000 34316.5361 -148927.9977 299.6948 -183244.5339 -148834.3588 299.7520 75.4328 109.6874 557039.0729 3.9704 3.9883 PRESSURE: 588600 346.066 87.3243 136.728 87.3259 -25.064 64.8268 136.726 64.8249 103.254 GPRESSURE: 588600 362.552 64.1453 154.408 111.796 38.0213 46.8537 81.8727 -5.92007 124.603 PRESSAVG: 588600 -4.68375 19.8919 71.015 19.8918 18.0923 -3.17237 71.015 -3.17249 -1.97588 GPRESSAVG: 588600 -6.18736 20.2101 70.0672 18.9026 19.2243 -3.51993 70.6778 -4.7273 -2.03224 TIMING: 588600 CPU: 1742.76, 0.00297912/step Wall: 1742.76, 0.00297912/step, 3.65058 hours remaining, 206.101562 MB of memory in use. ENERGY: 588600 739.7990 2122.9130 1935.4273 108.9568 -206149.1332 17956.1343 0.0000 0.0000 34284.1787 -149001.7241 299.4123 -183285.9028 -148904.4659 299.8191 141.4188 175.0588 556949.1291 3.8109 3.6682 PRESSURE: 588800 113.572 134.28 64.5921 134.281 335.053 -73.7791 64.593 -73.78 118.099 GPRESSURE: 588800 91.8122 176.779 49.9547 156.402 404.461 -142.083 74.3955 -114.35 162.613 PRESSAVG: 588800 5.47931 -14.7632 53.4064 -14.7632 -32.5957 -3.87864 53.4064 -3.87858 -4.1311 GPRESSAVG: 588800 6.2546 -14.8574 52.368 -14.9813 -33.5472 -3.89048 54.2067 -3.22807 -4.04338 TIMING: 588800 CPU: 1743.35, 0.00296111/step Wall: 1743.35, 0.00296111/step, 3.62834 hours remaining, 206.101562 MB of memory in use. ENERGY: 588800 757.0858 2077.5638 1933.0370 115.0974 -206556.6098 18121.8847 0.0000 0.0000 34451.9338 -149100.0074 300.8773 -183551.9412 -149008.3377 299.7186 188.9080 219.6287 556552.0453 -10.4158 -10.4453 PRESSURE: 589000 56.778 -7.09784 -135.495 -7.09844 85.803 -16.0879 -135.496 -16.087 -66.1335 GPRESSURE: 589000 146.978 -1.06904 -243.556 57.7614 134.129 -100.969 -82.7037 -10.0782 -96.8274 PRESSAVG: 589000 -29.7643 67.2216 -10.8991 67.2216 18.7743 9.12392 -10.899 9.12402 13.684 GPRESSAVG: 589000 -27.9375 66.6082 -10.2761 67.2169 18.5524 10.227 -11.4202 10.1897 12.1417 TIMING: 589000 CPU: 1743.95, 0.00297744/step Wall: 1743.95, 0.00297744/step, 3.64819 hours remaining, 206.101562 MB of memory in use. ENERGY: 589000 759.3407 2109.9621 1954.7226 105.2747 -206083.0349 17769.4699 0.0000 0.0000 34162.3867 -149221.8782 298.3486 -183384.2648 -149129.9123 299.9168 25.4825 61.4265 556517.2047 0.8980 0.9189 PRESSURE: 589200 160.117 169.958 103.113 169.959 131.899 0.359705 103.112 0.358302 -295.246 GPRESSURE: 589200 155.924 181.299 105.665 105.321 194.868 -93.0476 176.654 -13.1382 -261.498 PRESSAVG: 589200 26.5299 66.7196 18.9842 66.7196 -4.3506 1.00261 18.9842 1.00251 -37.6746 GPRESSAVG: 589200 25.386 66.8646 19.796 67.715 -5.01186 1.34353 18.3799 -1.64723 -35.5562 TIMING: 589200 CPU: 1744.54, 0.00295521/step Wall: 1744.54, 0.00295521/step, 3.62078 hours remaining, 206.101562 MB of memory in use. ENERGY: 589200 743.7375 2114.5136 1950.1712 109.6479 -206029.2791 17769.1637 0.0000 0.0000 34105.2795 -149236.7657 297.8499 -183342.0452 -149126.9027 298.5316 -1.0767 29.7650 557044.0965 -5.1651 -5.0607 PRESSURE: 589400 -259.714 142.104 12.0642 142.102 56.7894 54.2541 12.0647 54.2561 -138.556 GPRESSURE: 589400 -238.357 195.877 40.8718 38.7333 79.7056 63.0357 -61.6084 6.41845 -90.911 PRESSAVG: 589400 29.2451 49.3427 2.60203 49.3427 -36.7329 6.22133 2.60203 6.22127 2.71413 GPRESSAVG: 589400 29.2725 50.0621 3.55771 47.9046 -35.2058 3.56262 1.30153 9.33324 1.17645 TIMING: 589400 CPU: 1745.13, 0.00296622/step Wall: 1745.13, 0.00296622/step, 3.63411 hours remaining, 206.101562 MB of memory in use. ENERGY: 589400 710.0691 2170.0546 1938.8577 110.6118 -206039.3325 17613.1285 0.0000 0.0000 34289.1514 -149207.4596 299.4557 -183496.6109 -149106.9417 298.7614 -113.8267 -83.1874 557810.6425 -1.5912 -1.5856 PRESSURE: 589600 -211.249 -169.3 107.927 -169.3 -472.61 107.459 107.929 107.458 -239.703 GPRESSURE: 589600 -210.122 -237.26 117.171 -95.961 -423.171 49.7646 104.551 148.072 -204.511 PRESSAVG: 589600 -12.9338 -14.5453 52.4974 -14.5453 -20.7686 40.6504 52.4974 40.6505 21.5182 GPRESSAVG: 589600 -13.7606 -16.473 52.2956 -15.1912 -20.7717 41.8694 51.7111 39.5202 21.7718 TIMING: 589600 CPU: 1745.73, 0.0029665/step Wall: 1745.73, 0.0029665/step, 3.63429 hours remaining, 206.101562 MB of memory in use. ENERGY: 589600 756.8447 2151.2442 1941.9923 107.3932 -205622.1031 17420.5395 0.0000 0.0000 34072.5622 -149171.5270 297.5642 -183244.0892 -149080.7490 299.2568 -307.8541 -279.2677 558950.2170 -4.0614 -4.2535 PRESSURE: 589800 124.845 9.2109 65.0671 9.21089 -202.376 72.9408 65.0658 72.9398 -15.3583 GPRESSURE: 589800 132.024 -63.5174 60.373 84.3658 -181.602 138.041 55.5721 16.511 57.8093 PRESSAVG: 589800 -23.7191 31.0128 -17.1614 31.0128 28.9505 50.6297 -17.1614 50.6296 -25.9583 GPRESSAVG: 589800 -22.7105 30.5801 -16.6126 31.9838 27.8742 49.7596 -16.1861 52.0256 -26.3246 TIMING: 589800 CPU: 1746.32, 0.00295549/step Wall: 1746.32, 0.00295549/step, 3.62064 hours remaining, 206.101562 MB of memory in use. ENERGY: 589800 724.0160 2102.9517 1957.3696 116.0852 -206374.9588 17795.1372 0.0000 0.0000 34295.5937 -149383.8055 299.5120 -183679.3992 -149288.4257 298.2478 -30.9631 2.7436 557449.5230 -6.9090 -7.0536 PRESSURE: 590000 -296.575 -13.0169 -47.2632 -13.0177 -17.0388 -21.8868 -47.2636 -21.8873 -106.07 GPRESSURE: 590000 -254.364 109.181 -63.2212 -66.607 58.1498 -32.2327 -97.3679 -48.3568 -129.423 PRESSAVG: 590000 -56.6569 19.9702 14.4554 19.9701 28.4797 -16.8115 14.4556 -16.8115 -12.4157 GPRESSAVG: 590000 -58.1043 20.6041 13.8402 19.1221 28.786 -14.4535 12.3038 -19.375 -12.2528 TIMING: 590000 CPU: 1746.91, 0.00297209/step Wall: 1746.91, 0.00297209/step, 3.64081 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: 590000 749.0673 2098.9289 1935.5042 98.4495 -206345.2419 17828.8326 0.0000 0.0000 34086.3773 -149548.0821 297.6848 -183634.4595 -149453.9499 298.0049 -139.8947 -108.5458 558414.2412 -13.5309 -13.8571 PRESSURE: 590200 59.6662 -71.4439 -76.3647 -71.4441 10.5827 63.5798 -76.3659 63.58 -12.5022 GPRESSURE: 590200 64.8761 -177.4 -82.745 5.07216 68.7517 86.1704 -73.5029 46.6067 10.5471 PRESSAVG: 590200 -52.145 26.5667 26.2256 26.5667 58.0396 -0.00461864 26.2255 -0.00465212 28.569 GPRESSAVG: 590200 -52.7106 26.8472 25.7798 27.5741 59.1955 -2.4911 28.168 2.05236 27.8625 TIMING: 590200 CPU: 1747.51, 0.00296646/step Wall: 1747.51, 0.00296646/step, 3.63375 hours remaining, 206.101562 MB of memory in use. ENERGY: 590200 732.2932 2115.4974 1944.5937 101.7478 -206770.0939 18086.4419 0.0000 0.0000 34317.8580 -149471.6619 299.7064 -183789.5199 -149379.3941 298.6701 19.2489 48.0583 558242.5250 11.4879 11.4491 PRESSURE: 590400 -114.421 -200.948 105.66 -200.948 -270.781 -141.138 105.66 -141.138 45.049 GPRESSURE: 590400 -52.8003 -123.013 119.506 -217.15 -214.957 -158.638 115.772 -100.705 38.9483 PRESSAVG: 590400 18.3715 -32.9233 4.27039 -32.9233 -12.5364 -37.3982 4.27044 -37.3983 32.7467 GPRESSAVG: 590400 18.4234 -33.3942 3.95569 -33.9633 -12.345 -33.675 7.44352 -38.6219 33.6367 TIMING: 590400 CPU: 1748.1, 0.00298359/step Wall: 1748.1, 0.00298359/step, 3.65457 hours remaining, 206.101562 MB of memory in use. ENERGY: 590400 747.6337 2045.9779 1968.6485 108.9922 -206052.3534 17714.4617 0.0000 0.0000 34085.2359 -149381.4033 297.6748 -183466.6393 -149280.4251 298.8084 -113.3842 -76.2696 558351.3424 12.8606 13.2384 PRESSURE: 590600 -40.5134 16.8263 30.8316 16.8265 167.726 -77.0302 30.832 -77.0315 9.38836 GPRESSURE: 590600 12.193 -3.68004 33.0558 2.86791 166.584 -80.7517 -21.7368 -140.052 46.6387 PRESSAVG: 590600 40.0399 45.0668 10.2645 45.0668 -2.22224 -0.498124 10.2645 -0.498085 -38.9951 GPRESSAVG: 590600 41.0408 44.666 11.1535 45.2173 -3.34122 -2.93209 8.83649 1.43501 -38.0078 TIMING: 590600 CPU: 1748.7, 0.00297219/step Wall: 1748.7, 0.00297219/step, 3.64044 hours remaining, 206.101562 MB of memory in use. ENERGY: 590600 702.1722 2116.7267 1946.3293 111.9504 -205976.5351 17787.9322 0.0000 0.0000 34040.5991 -149270.8252 297.2850 -183311.4243 -149177.7691 298.6310 45.5337 75.1386 557650.9124 -0.3925 -0.1027 PRESSURE: 590800 -86.4615 -156.876 -26.8339 -156.876 -159.943 56.8233 -26.8331 56.8232 -373.541 GPRESSURE: 590800 -50.5787 -102.215 55.2904 -148.658 -81.8553 2.97832 -52.4168 13.5764 -371.966 PRESSAVG: 590800 -32.1943 50.9313 5.24381 50.9313 29.7443 12.6982 5.24385 12.6983 -27.5201 GPRESSAVG: 590800 -31.0545 50.0879 4.89942 50.945 30.177 13.9058 4.68198 11.7255 -28.8802 TIMING: 590800 CPU: 1749.3, 0.00299353/step Wall: 1749.3, 0.00299353/step, 3.66641 hours remaining, 206.101562 MB of memory in use. ENERGY: 590800 722.1218 2111.4051 1944.6463 116.3457 -206148.0469 17702.3223 0.0000 0.0000 34348.1903 -149203.0154 299.9713 -183551.2058 -149102.5498 299.1563 -206.6485 -168.1332 558919.1165 -9.9901 -9.9192 PRESSURE: 591000 -95.248 68.2432 7.3178 68.2435 -43.509 39.0487 7.31757 39.0496 -187.315 GPRESSURE: 591000 -136.161 49.4542 46.5904 139.788 35.8485 93.0356 -19.9728 25.6388 -124.147 PRESSAVG: 591000 16.8935 31.0537 36.0226 31.0537 40.2277 15.5136 36.0226 15.5136 -35.6038 GPRESSAVG: 591000 15.0318 32.5735 35.6259 31.9551 40.7764 15.6213 37.8148 15.6927 -34.216 TIMING: 591000 CPU: 1749.89, 0.00297773/step Wall: 1749.89, 0.00297773/step, 3.6469 hours remaining, 206.101562 MB of memory in use. ENERGY: 591000 735.5754 2131.1558 1941.8394 115.4989 -206067.0078 17734.7636 0.0000 0.0000 34262.8127 -149145.3619 299.2257 -183408.1745 -149052.3233 298.8897 -108.6907 -74.8197 559479.7653 7.1725 7.1974 PRESSURE: 591200 -200.936 132.248 131.949 132.248 87.2443 9.56909 131.951 9.56658 63.5699 GPRESSURE: 591200 -129.148 88.2668 206.178 88.6029 130.175 57.0727 173.188 73.4702 42.5383 PRESSAVG: 591200 -36.3651 -23.2215 -18.8799 -23.2216 -39.9356 -3.3445 -18.8798 -3.34459 74.5774 GPRESSAVG: 591200 -35.3218 -23.2894 -17.3513 -23.5451 -40.2082 -3.06803 -22.9169 -3.12194 74.0213 TIMING: 591200 CPU: 1750.49, 0.00296707/step Wall: 1750.49, 0.00296707/step, 3.63367 hours remaining, 206.101562 MB of memory in use. ENERGY: 591200 730.8283 2095.5789 1927.3143 115.7128 -206635.3803 18064.7563 0.0000 0.0000 34365.3958 -149335.7939 300.1215 -183701.1897 -149237.0810 298.9678 -16.7073 14.5220 559664.9283 -0.5744 -0.5029 PRESSURE: 591400 -111.945 112.496 123.67 112.496 -323.855 -165.159 123.671 -165.16 -108.685 GPRESSURE: 591400 -98.2662 80.418 -0.243011 141.353 -220.521 -117.384 136.653 -118.179 -132.106 PRESSAVG: 591400 0.785374 -7.39559 -26.4466 -7.39558 8.20274 17.8977 -26.4466 17.8977 -0.604954 GPRESSAVG: 591400 2.09514 -8.11179 -27.2627 -6.94362 7.80458 18.415 -25.5572 17.2776 -1.16131 TIMING: 591400 CPU: 1751.08, 0.002984/step Wall: 1751.08, 0.002984/step, 3.65423 hours remaining, 206.101562 MB of memory in use. ENERGY: 591400 743.0312 2086.2988 1953.0765 122.5865 -206175.1673 17769.1436 0.0000 0.0000 34196.4031 -149304.6276 298.6457 -183501.0307 -149207.3621 298.8495 -181.4950 -150.2977 559766.1000 2.7944 2.9128 PRESSURE: 591600 -336.17 62.2778 24.398 62.277 -169.784 117.564 24.3992 117.562 -130.301 GPRESSURE: 591600 -322.174 -26.7065 72.8153 158.685 -113.195 77.622 64.3601 49.4317 -98.6835 PRESSAVG: 591600 -5.83399 24.835 -10.138 24.8349 0.829538 22.5557 -10.1381 22.5556 -0.024138 GPRESSAVG: 591600 -6.9766 27.1588 -11.0502 23.6516 1.50926 20.3129 -9.1781 24.2879 0.224072 TIMING: 591600 CPU: 1751.68, 0.00297313/step Wall: 1751.68, 0.00297313/step, 3.64077 hours remaining, 206.101562 MB of memory in use. ENERGY: 591600 765.0240 2115.5147 1936.0426 114.1432 -206125.4636 17724.3801 0.0000 0.0000 34029.0403 -149441.3187 297.1841 -183470.3590 -149349.4072 299.0710 -212.0850 -178.0175 558744.5586 -1.6762 -1.7478 PRESSURE: 591800 -63.9379 -36.8068 55.9627 -36.8068 -320.054 -6.56891 55.9635 -6.57099 -303.164 GPRESSURE: 591800 -79.6827 -168.534 12.8963 -17.1283 -240.266 36.6685 150.506 73.901 -269.355 PRESSAVG: 591800 17.1991 -2.85582 59.0051 -2.85596 -24.9241 1.32904 59.0051 1.32916 24.7223 GPRESSAVG: 591800 18.4357 -5.3522 61.6218 -0.293 -25.3765 4.28723 57.9945 -1.2947 24.1191 TIMING: 591800 CPU: 1752.27, 0.00297058/step Wall: 1752.27, 0.00297058/step, 3.63748 hours remaining, 206.101562 MB of memory in use. ENERGY: 591800 734.7354 2106.8543 1947.9340 116.1499 -206349.4013 17646.8554 0.0000 0.0000 34207.0299 -149589.8425 298.7385 -183796.8724 -149491.8085 297.2318 -229.0519 -196.4344 556722.1453 5.6658 5.7261 PRESSURE: 592000 168.25 -10.1674 170.61 -10.1674 -347.535 -38.5365 170.611 -38.537 -47.4698 GPRESSURE: 592000 136.472 24.9387 136.082 -30.4447 -279.806 -2.54853 191.561 -98.77 11.7352 PRESSAVG: 592000 46.7107 -16.0775 26.403 -16.0775 -46.2124 -27.2707 26.403 -27.2707 10.769 GPRESSAVG: 592000 44.6768 -14.7208 23.6482 -19.3027 -45.7745 -28.827 28.201 -25.6779 12.2915 TIMING: 592000 CPU: 1752.86, 0.00295465/step Wall: 1752.86, 0.00295465/step, 3.6178 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: 592000 712.6787 2153.8018 1943.0824 103.7115 -206310.6228 17661.9716 0.0000 0.0000 34062.1075 -149673.2692 297.4729 -183735.3767 -149566.1134 297.6702 -75.5847 -43.8661 557447.9192 3.7558 3.7313 PRESSURE: 592200 -231.47 85.4607 -31.4809 85.4598 46.5812 23.7827 -31.4798 23.7832 105.625 GPRESSURE: 592200 -162.249 103.894 -78.6346 27.5481 42.6864 -63.6826 -35.0662 44.6943 128.911 PRESSAVG: 592200 -13.9529 -56.0615 -69.4227 -56.0616 -3.42635 -30.4195 -69.4227 -30.4195 55.4149 GPRESSAVG: 592200 -12.9581 -55.3607 -69.3968 -55.1598 -4.63534 -29.4051 -67.4677 -31.7511 55.4358 TIMING: 592200 CPU: 1753.46, 0.00297569/step Wall: 1753.46, 0.00297569/step, 3.6434 hours remaining, 206.101562 MB of memory in use. ENERGY: 592200 688.7010 2098.9033 1970.3405 123.5948 -206358.0743 17718.5817 0.0000 0.0000 34156.6608 -149601.2921 298.2986 -183757.9529 -149509.9722 297.8536 -26.4214 3.1161 556124.5631 12.6786 12.6141 LDB: ============= START OF LOAD BALANCING ============== 1756.88 LDB: ============== END OF LOAD BALANCING =============== 1756.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1756.89 LDB: ============= START OF LOAD BALANCING ============== 1757.18 LDB: Largest compute 4820 load 0.032093 is 27.2% of average load 0.117904 LDB: Average compute 0.001705 is 1.4% of average load 0.117904 LDB: TIME 1757.18 LOAD: AVG 0.117904 MAX 0.196343 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.266 MB LDB: TIME 1757.18 LOAD: AVG 0.117904 MAX 0.196343 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.266 MB LDB: TIME 1757.18 LOAD: AVG 0.117904 MAX 0.196343 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.266 MB LDB: ============== END OF LOAD BALANCING =============== 1757.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1757.19 PRESSURE: 592400 -236.975 48.2507 -19.0512 48.2492 5.038 -3.75681 -19.052 -3.75596 -33.7877 GPRESSURE: 592400 -189.499 68.5355 -49.6474 52.7456 -27.4364 104.696 46.7541 -37.2038 50.4455 PRESSAVG: 592400 -5.25347 30.5053 -5.15125 30.5053 -20.7737 -20.9582 -5.15121 -20.9582 41.0249 GPRESSAVG: 592400 -5.67444 29.5157 -3.65307 30.3505 -20.103 -19.65 -6.89097 -19.875 40.8143 TIMING: 592400 CPU: 1754.06, 0.00301515/step Wall: 1754.06, 0.00301515/step, 3.69155 hours remaining, 205.464844 MB of memory in use. ENERGY: 592400 746.7109 2064.1782 1957.0190 107.4851 -206431.7474 17843.6892 0.0000 0.0000 34144.7415 -149567.9235 298.1945 -183712.6650 -149473.6758 298.6284 -88.5750 -55.4966 555592.9569 4.9993 5.0123 PRESSURE: 592600 -39.2821 -128.234 -124.638 -128.234 -154.334 -5.12594 -124.637 -5.12514 -159.143 GPRESSURE: 592600 -35.5234 -244.296 -167.848 -14.2038 -116.659 -24.4133 -111.238 2.87812 -105.922 PRESSAVG: 592600 -33.3431 -12.3724 -23.8105 -12.3724 -9.27609 -7.52046 -23.8106 -7.52042 77.7335 GPRESSAVG: 592600 -31.9313 -11.6629 -24.8867 -9.29445 -9.94401 -9.67717 -24.9973 -7.60008 77.1014 TIMING: 592600 CPU: 1754.65, 0.00295257/step Wall: 1754.65, 0.00295257/step, 3.61476 hours remaining, 205.464844 MB of memory in use. ENERGY: 592600 728.1583 2098.4066 1962.0691 129.3621 -206548.7979 17600.1116 0.0000 0.0000 34389.6089 -149641.0813 300.3330 -184030.6902 -149537.8933 298.5466 -117.5864 -86.0346 555556.0560 11.7048 11.7420 PRESSURE: 592800 -121.61 -7.64105 9.68676 -7.64107 -57.085 -64.5969 9.68611 -64.5968 -332.222 GPRESSURE: 592800 -93.4225 23.014 -13.6896 -69.2019 -52.9976 50.6896 -32.7454 -187.782 -289.788 PRESSAVG: 592800 -3.89857 48.6787 24.2971 48.6787 -5.40756 6.54373 24.2972 6.5438 1.36617 GPRESSAVG: 592800 -4.70647 50.4297 24.7877 47.5552 -4.72899 6.12806 24.1691 7.18217 1.74419 TIMING: 592800 CPU: 1755.24, 0.00296818/step Wall: 1755.24, 0.00296818/step, 3.63371 hours remaining, 205.410156 MB of memory in use. ENERGY: 592800 759.0170 2089.1381 1925.9522 117.3981 -206273.4562 17664.2231 0.0000 0.0000 34194.2053 -149523.5223 298.6265 -183717.7277 -149422.8855 298.7983 -170.3054 -145.4028 558390.5215 -2.6467 -2.5638 PRESSURE: 593000 -223.56 -26.3352 -54.1952 -26.3344 -276.632 -50.3352 -54.1944 -50.3364 -225.674 GPRESSURE: 593000 -145.345 28.0147 -101.691 5.37904 -229.323 34.6841 -34.5039 -99.7389 -248.089 PRESSAVG: 593000 -7.30222 -22.3782 -6.76471 -22.3782 33.074 50.9166 -6.7647 50.9166 -54.5929 GPRESSAVG: 593000 -5.79763 -24.3511 -7.1164 -21.1846 32.2663 49.9425 -7.38797 51.6256 -54.644 TIMING: 593000 CPU: 1755.84, 0.00297805/step Wall: 1755.84, 0.00297805/step, 3.64563 hours remaining, 205.410156 MB of memory in use. ENERGY: 593000 781.9550 2120.7849 1963.4603 116.1580 -206801.3988 17946.1521 0.0000 0.0000 34372.8915 -149499.9970 300.1870 -183872.8885 -149405.0487 298.4679 -241.9554 -207.5854 558727.1527 -9.6070 -9.3918 PRESSURE: 593200 -45.8767 -42.8306 -205.369 -42.831 181.619 124.112 -205.368 124.113 1.97871 GPRESSURE: 593200 -17.8813 -27.2669 -75.9072 49.4752 209.338 82.2868 -207.547 137.823 41.6729 PRESSAVG: 593200 20.7198 -13.7337 -26.3372 -13.7337 11.2134 20.3812 -26.3372 20.3814 -2.96368 GPRESSAVG: 593200 18.5185 -12.832 -24.2313 -16.5754 13.9376 21.8829 -24.5168 18.9288 -3.98586 TIMING: 593200 CPU: 1756.44, 0.00298446/step Wall: 1756.44, 0.00298446/step, 3.65331 hours remaining, 205.410156 MB of memory in use. ENERGY: 593200 738.9578 2122.6102 1952.3883 118.0800 -206960.5089 18140.5207 0.0000 0.0000 34448.5898 -149439.3622 300.8481 -183887.9520 -149335.7022 298.6440 45.9072 77.7099 556682.9870 9.6565 9.4901 PRESSURE: 593400 144.148 64.4133 -114.244 64.4127 57.426 49.9352 -114.244 49.9351 -38.7765 GPRESSURE: 593400 155.117 66.1192 -86.2044 5.99423 142.096 -15.3803 -133.372 78.9798 -8.80983 PRESSAVG: 593400 -50.2942 4.55792 -15.6527 4.5579 44.3052 109.322 -15.6527 109.322 14.2441 GPRESSAVG: 593400 -49.9522 5.03327 -19.1641 4.98733 43.0141 108.338 -15.6351 109.975 15.561 TIMING: 593400 CPU: 1757.03, 0.0029676/step Wall: 1757.03, 0.0029676/step, 3.63251 hours remaining, 205.410156 MB of memory in use. ENERGY: 593400 757.1649 2159.6758 1957.7055 112.8897 -206610.1508 18107.7204 0.0000 0.0000 34107.5104 -149407.4842 297.8694 -183514.9946 -149314.9630 299.4304 54.2659 96.1342 557390.1063 2.7517 2.8743 PRESSURE: 593600 -291.097 -86.4531 47.0696 -86.453 -22.7464 -63.8176 47.0696 -63.8195 17.1349 GPRESSURE: 593600 -252.199 -3.43994 94.5978 -140.81 4.57864 -12.7131 83.4461 -85.7257 44.985 PRESSAVG: 593600 -8.99093 -8.6 -86.6568 -8.60006 -28.2759 30.6763 -86.6569 30.6763 -7.48444 GPRESSAVG: 593600 -8.22906 -10.3991 -85.4785 -7.75922 -28.9894 31.2824 -85.7647 29.452 -7.71648 TIMING: 593600 CPU: 1757.63, 0.00297576/step Wall: 1757.63, 0.00297576/step, 3.64232 hours remaining, 205.410156 MB of memory in use. ENERGY: 593600 745.3203 2145.7956 1962.8555 117.9496 -206076.3308 17703.9231 0.0000 0.0000 34008.3100 -149392.1767 297.0030 -183400.4867 -149290.0630 299.1661 -98.9029 -67.5450 557809.1500 -14.9171 -14.9783 PRESSURE: 593800 -238.115 -4.17038 -65.9234 -4.16953 52.0857 -47.0327 -65.9231 -47.032 -29.7291 GPRESSURE: 593800 -239.179 35.8652 -30.0397 -7.42035 49.2323 -56.4903 -112.399 -1.97214 67.6175 PRESSAVG: 593800 -62.7618 -3.21092 -36.5279 -3.21093 50.9593 12.6472 -36.5278 12.6472 -1.44258 GPRESSAVG: 593800 -63.2051 -2.29357 -36.6803 -3.58238 51.6027 11.5552 -38.4068 14.3273 -2.47269 TIMING: 593800 CPU: 1758.22, 0.0029882/step Wall: 1758.22, 0.0029882/step, 3.65739 hours remaining, 205.410156 MB of memory in use. ENERGY: 593800 783.9614 2046.0172 1996.7394 115.8161 -206342.0083 17820.2789 0.0000 0.0000 34160.7792 -149418.4162 298.3346 -183579.1954 -149322.0111 298.7793 -71.9195 -40.7764 557533.3433 -4.4150 -4.6917 PRESSURE: 594000 -74.7531 97.6074 -125.754 97.6091 -134.224 145.745 -125.755 145.744 118.713 GPRESSURE: 594000 14.3422 177.419 -116.627 120.547 -149.811 166.379 -158.313 178.716 144.391 PRESSAVG: 594000 -21.4955 34.604 -47.3529 34.604 -16.343 93.1961 -47.3529 93.196 42.6541 GPRESSAVG: 594000 -23.0088 35.5604 -48.3425 37.7418 -15.4983 95.4344 -45.655 91.6915 43.7842 TIMING: 594000 CPU: 1758.82, 0.00299879/step Wall: 1758.82, 0.00299879/step, 3.67019 hours remaining, 205.410156 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: 594000 777.4442 2093.9586 1960.4967 119.6786 -206572.8353 17989.0571 0.0000 0.0000 34260.3666 -149371.8336 299.2043 -183632.2002 -149270.3828 299.0764 -30.0881 2.9741 557785.0170 1.6052 1.7590 PRESSURE: 594200 -53.4398 114.857 -25.5367 114.857 -10.7536 -36.0873 -25.5376 -36.0877 -187.342 GPRESSURE: 594200 -27.7124 -47.1826 7.84188 195.273 24.003 -62.1758 -65.5825 -34.5995 -149.509 PRESSAVG: 594200 28.7288 -24.1025 -3.26737 -24.1025 10.8289 21.3918 -3.26732 21.3917 -42.7432 GPRESSAVG: 594200 28.549 -23.8352 1.24819 -26.0912 9.72162 19.7106 -6.38993 21.3708 -41.7273 TIMING: 594200 CPU: 1759.42, 0.00298334/step Wall: 1759.42, 0.00298334/step, 3.65112 hours remaining, 205.410156 MB of memory in use. ENERGY: 594200 750.6860 2099.4479 1973.8394 114.5425 -206143.9113 17778.3944 0.0000 0.0000 34108.4293 -149318.5717 297.8774 -183427.0011 -149230.7758 298.5381 -83.8453 -51.0729 558730.5611 -1.0619 -1.1522 PRESSURE: 594400 -101.762 31.8189 -124.343 31.8179 -86.295 -92.3876 -124.343 -92.3876 -259.769 GPRESSURE: 594400 -57.628 41.4319 -103.722 -39.2053 -35.0319 -54.6579 -67.7206 -89.9653 -260.589 PRESSAVG: 594400 14.4182 2.45276 -53.3634 2.45275 -0.0380411 -19.7631 -53.3635 -19.7631 -9.23989 GPRESSAVG: 594400 14.9331 2.65666 -55.8493 0.94026 0.394329 -19.0344 -52.1605 -19.0098 -9.99187 TIMING: 594400 CPU: 1760.01, 0.00296641/step Wall: 1760.01, 0.00296641/step, 3.63023 hours remaining, 205.410156 MB of memory in use. ENERGY: 594400 728.3544 2148.3637 1927.0783 100.4501 -206114.2495 17648.7347 0.0000 0.0000 34186.8817 -149374.3865 298.5625 -183561.2682 -149270.9281 299.0589 -149.2756 -117.7497 558790.2020 1.7134 1.7785 PRESSURE: 594600 -163.565 22.0091 46.2212 22.0104 -21.2451 -7.60121 46.221 -7.60078 59.648 GPRESSURE: 594600 -187.675 -39.7538 113.012 64.9675 44.646 71.9435 -3.61697 -70.8311 117.533 PRESSAVG: 594600 45.3742 33.8257 -12.8539 33.8255 -43.2535 -12.8986 -12.8539 -12.8986 2.54789 GPRESSAVG: 594600 45.4156 34.8435 -10.9477 34.3591 -43.1012 -12.6064 -13.7698 -14.4658 2.49205 TIMING: 594600 CPU: 1760.61, 0.00297587/step Wall: 1760.61, 0.00297587/step, 3.64164 hours remaining, 205.410156 MB of memory in use. ENERGY: 594600 767.0126 2143.0506 1934.0065 99.9465 -206518.3904 18006.6243 0.0000 0.0000 34221.9543 -149345.7958 298.8688 -183567.7501 -149252.3878 298.5592 -41.7208 -8.4988 559649.2248 1.5562 1.6022 PRESSURE: 594800 9.79075 -182.934 70.2979 -182.934 20.069 -50.3754 70.299 -50.3761 -68.018 GPRESSURE: 594800 17.5536 -113.408 -16.9745 -239.155 40.4082 -82.7982 121.44 -40.1814 3.87741 PRESSAVG: 594800 94.8417 0.326498 12.618 0.326513 -62.147 -4.80146 12.618 -4.80134 -33.5831 GPRESSAVG: 594800 95.9699 -0.0496206 9.40089 0.456088 -61.5137 -5.99504 12.4639 -2.43954 -35.211 TIMING: 594800 CPU: 1761.2, 0.00294378/step Wall: 1761.2, 0.00294378/step, 3.6022 hours remaining, 205.410156 MB of memory in use. ENERGY: 594800 757.1672 2062.1032 1942.1568 108.5098 -206233.3804 17996.8717 0.0000 0.0000 34130.0952 -149236.4767 298.0666 -183366.5718 -149143.4061 298.4308 -12.7194 20.6131 559678.3311 -0.2961 -0.2516 PRESSURE: 595000 -174.01 112.676 -101.662 112.675 -115.35 -65.8058 -101.661 -65.8067 269.301 GPRESSURE: 595000 -121.597 95.5299 -120.07 124.574 -49.8223 -72.4342 -113.652 -117.994 242.002 PRESSAVG: 595000 -16.6815 -19.5286 13.3461 -19.5286 19.8079 2.928 13.3461 2.92798 -5.63896 GPRESSAVG: 595000 -17.0389 -19.0584 12.564 -19.1895 19.6967 1.37626 14.4005 3.04672 -4.4641 TIMING: 595000 CPU: 1761.79, 0.00295719/step Wall: 1761.79, 0.00295719/step, 3.61845 hours remaining, 205.410156 MB of memory in use. ENERGY: 595000 703.7355 2175.4144 1947.1409 107.7123 -206201.6378 17900.2493 0.0000 0.0000 34178.8445 -149188.5408 298.4924 -183367.3854 -149090.6107 299.0973 -6.6863 23.5277 560119.3242 -0.8375 -0.6021 PRESSURE: 595200 78.1018 -64.7992 30.3504 -64.7996 -19.5528 6.84 30.3494 6.84013 7.51733 GPRESSURE: 595200 102.676 -93.1416 -9.97808 -87.4091 50.7451 32.1824 -18.7531 -50.2434 7.24928 PRESSAVG: 595200 3.7862 36.318 -35.9724 36.318 20.2568 19.6864 -35.9724 19.6864 -39.7296 GPRESSAVG: 595200 4.13981 34.3023 -34.2552 37.4916 20.6338 22.3619 -36.0854 16.6143 -40.2343 TIMING: 595200 CPU: 1762.38, 0.00297372/step Wall: 1762.38, 0.00297372/step, 3.63852 hours remaining, 205.410156 MB of memory in use. ENERGY: 595200 780.0567 2136.4692 1944.0970 109.1482 -206029.6708 17976.6430 0.0000 0.0000 34020.0261 -149063.2306 297.1053 -183083.2567 -148974.1668 298.6190 22.0221 53.5567 557585.6381 -5.2289 -5.1536 PRESSURE: 595400 -21.854 128.783 45.1148 128.783 -176.683 105.16 45.1156 105.159 33.3194 GPRESSURE: 595400 21.5837 147.293 8.11756 101.073 -133.824 78.2788 71.0804 156.924 59.6306 PRESSAVG: 595400 -24.4255 -16.9325 -9.22456 -16.9325 -8.29176 -3.4081 -9.22458 -3.40799 37.1075 GPRESSAVG: 595400 -24.4787 -14.5263 -9.78634 -18.8239 -7.48353 -4.93575 -11.0397 -0.15244 37.035 TIMING: 595400 CPU: 1762.98, 0.0029823/step Wall: 1762.98, 0.0029823/step, 3.64884 hours remaining, 205.410156 MB of memory in use. ENERGY: 595400 733.1988 2172.1123 1949.3221 110.6228 -205856.0150 17550.0563 0.0000 0.0000 34206.0728 -149134.6299 298.7301 -183340.7027 -149036.9341 298.9397 -55.0724 -17.5365 558169.5254 1.4634 1.6909 PRESSURE: 595600 -236.24 -120.121 -95.3235 -120.121 -261.12 -52.8607 -95.3242 -52.8616 9.50839 GPRESSURE: 595600 -185.948 -71.6767 -87.3295 -103.371 -181.84 30.5931 -157.069 -103.095 -30.3115 PRESSAVG: 595600 1.7483 -16.0479 -35.2034 -16.048 -9.80546 -0.991776 -35.2033 -0.991723 -24.6279 GPRESSAVG: 595600 2.29894 -17.1854 -36.575 -17.2152 -10.4242 0.252204 -32.9725 -1.23133 -24.8928 TIMING: 595600 CPU: 1763.58, 0.00299154/step Wall: 1763.58, 0.00299154/step, 3.65998 hours remaining, 205.410156 MB of memory in use. ENERGY: 595600 728.3478 2131.5759 1962.1494 121.7563 -205854.7746 17559.6542 0.0000 0.0000 34091.3718 -149259.9193 297.7284 -183351.2910 -149155.9820 298.8656 -162.6172 -132.6998 557990.0792 -10.8950 -11.0060 PRESSURE: 595800 -3.26005 145.022 -130.344 145.02 -320.807 -69.5787 -130.343 -69.579 -134.369 GPRESSURE: 595800 -1.27996 176.362 -162.939 92.2773 -299.009 -30.4428 -186.372 -66.1014 -55.9714 PRESSAVG: 595800 -31.0059 -4.46936 -27.9084 -4.46925 -22.7369 -11.8674 -27.9084 -11.8675 69.0629 GPRESSAVG: 595800 -31.3262 -4.92104 -27.0178 -3.36256 -22.6394 -11.6507 -29.4666 -11.9892 68.7963 TIMING: 595800 CPU: 1764.17, 0.00297096/step Wall: 1764.17, 0.00297096/step, 3.63464 hours remaining, 205.410156 MB of memory in use. ENERGY: 595800 727.4891 2076.5771 1973.0475 106.6765 -206206.4521 17808.8105 0.0000 0.0000 34290.1302 -149223.7213 299.4642 -183513.8515 -149121.1268 299.0856 -152.8119 -118.7534 558733.5733 5.1067 4.9436 PRESSURE: 596000 -110.163 -121.935 1.60189 -121.935 -177.103 253 1.6026 253.001 -29.1055 GPRESSURE: 596000 -92.9791 -15.5956 -17.5395 -176.78 -169.794 225.419 48.1077 300.315 43.3879 PRESSAVG: 596000 34.7313 18.2275 -38.9031 18.2275 -0.763339 20.823 -38.9031 20.823 6.77162 GPRESSAVG: 596000 33.4391 19.5991 -37.5038 19.2031 0.721988 20.0169 -38.6043 20.0619 7.00815 TIMING: 596000 CPU: 1764.77, 0.00297341/step Wall: 1764.77, 0.00297341/step, 3.63748 hours remaining, 205.410156 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: 596000 776.9508 2127.0872 1977.2471 113.6673 -206358.6805 17743.7241 0.0000 0.0000 34516.0952 -149103.9088 301.4376 -183620.0040 -149013.3312 300.1412 -105.4574 -73.1283 557695.3807 13.5798 13.7231 PRESSURE: 596200 -73.4781 -54.0651 12.8412 -54.0656 39.8557 -3.02794 12.8419 -3.02766 17.1672 GPRESSURE: 596200 -74.1879 -82.3077 62.1281 -61.13 123.203 48.768 8.8627 -22.078 30.2438 PRESSAVG: 596200 -37.5679 -10.1505 24.2285 -10.1505 8.21834 27.3745 24.2285 27.3745 39.4338 GPRESSAVG: 596200 -36.3625 -12.2767 23.434 -11.1877 7.24823 27.4053 24.0962 27.531 39.3131 TIMING: 596200 CPU: 1765.35, 0.00293512/step Wall: 1765.35, 0.00293512/step, 3.59046 hours remaining, 205.410156 MB of memory in use. ENERGY: 596200 693.5442 2088.2511 1963.9402 110.8666 -205844.2469 17589.8949 0.0000 0.0000 34276.6599 -149121.0900 299.3466 -183397.7499 -149020.5288 299.3172 -5.4850 26.4195 557075.6939 3.3614 3.3996 LDB: ============= START OF LOAD BALANCING ============== 1768.78 LDB: ============== END OF LOAD BALANCING =============== 1768.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1768.78 LDB: ============= START OF LOAD BALANCING ============== 1769.08 LDB: Largest compute 4820 load 0.030865 is 26.2% of average load 0.117906 LDB: Average compute 0.001705 is 1.4% of average load 0.117906 LDB: TIME 1769.08 LOAD: AVG 0.117906 MAX 0.197316 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.691 MB LDB: TIME 1769.08 LOAD: AVG 0.117906 MAX 0.197316 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.73 MB LDB: TIME 1769.08 LOAD: AVG 0.117906 MAX 0.197316 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.73 MB LDB: ============== END OF LOAD BALANCING =============== 1769.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1769.09 PRESSURE: 596400 -181.91 -140.057 52.3274 -140.058 -109.521 -262.192 52.3277 -262.191 54.7448 GPRESSURE: 596400 -145.68 -88.8128 117.398 -124.918 -125.038 -215.322 38.9987 -240.374 126.786 PRESSAVG: 596400 -84.8496 -80.1607 71.326 -80.1606 19.1073 41.0916 71.3259 41.0916 56.3404 GPRESSAVG: 596400 -83.8889 -79.226 72.879 -80.0085 18.3456 40.1093 70.0423 39.7495 56.6906 TIMING: 596400 CPU: 1765.96, 0.0030131/step Wall: 1765.96, 0.0030131/step, 3.68569 hours remaining, 205.980469 MB of memory in use. ENERGY: 596400 758.3236 2064.6556 1974.3667 122.8342 -205960.9968 17777.3684 0.0000 0.0000 34220.4756 -149042.9727 298.8559 -183263.4483 -148947.6740 299.7940 -78.8952 -47.9774 559306.7052 -3.1340 -2.9509 PRESSURE: 596600 159.303 -166.102 -10.7579 -166.102 111.445 93.3808 -10.7585 93.382 316.783 GPRESSURE: 596600 213.749 -233.93 -28.6121 -58.9286 202.274 102.615 8.19025 29.7616 281.778 PRESSAVG: 596600 -31.3273 -21.8143 31.727 -21.8143 -7.53383 -18.2016 31.7269 -18.2017 18.4385 GPRESSAVG: 596600 -32.2111 -21.9338 29.7432 -22.1805 -6.38018 -17.8829 32.7279 -15.8461 18.5354 TIMING: 596600 CPU: 1766.55, 0.00295507/step Wall: 1766.55, 0.00295507/step, 3.61454 hours remaining, 205.980469 MB of memory in use. ENERGY: 596600 720.4173 2149.2829 1954.9623 108.8434 -206096.6449 17858.9114 0.0000 0.0000 34336.3747 -148967.8529 299.8681 -183304.2276 -148863.0759 299.3742 195.8437 232.6005 556350.6183 -6.8075 -6.6853 PRESSURE: 596800 -0.28503 63.4361 -97.5949 63.4365 312.726 -92.5549 -97.5953 -92.5567 -187.247 GPRESSURE: 596800 9.72804 125.932 -9.93693 22.8041 375.429 2.58972 -193.71 -114.058 -158.044 PRESSAVG: 596800 -17.7174 -14.3583 20.4294 -14.3584 25.0299 3.84714 20.4295 3.8472 5.66864 GPRESSAVG: 596800 -16.4438 -16.1696 18.0808 -12.4429 24.5129 3.80711 20.4796 3.93214 4.833 TIMING: 596800 CPU: 1767.14, 0.00294751/step Wall: 1767.14, 0.00294751/step, 3.60513 hours remaining, 205.980469 MB of memory in use. ENERGY: 596800 772.4811 2111.4456 1949.0419 114.3585 -206295.7824 18057.2714 0.0000 0.0000 34525.2786 -148765.9054 301.5178 -183291.1840 -148670.3511 300.7467 41.7315 75.7043 558036.1073 4.3270 4.3007 PRESSURE: 597000 198.753 -47.7939 -14.6997 -47.7931 -91.1476 94.0327 -14.6995 94.033 -9.63271 GPRESSURE: 597000 208.727 -32.943 15.4576 26.268 -62.9843 83.6192 -51.1238 38.8177 46.0073 PRESSAVG: 597000 39.6063 25.4694 10.8549 25.4694 -47.7222 6.98563 10.855 6.98566 -23.2594 GPRESSAVG: 597000 38.3639 26.4113 10.4852 24.857 -47.3696 5.28328 13.0265 7.52718 -22.3129 TIMING: 597000 CPU: 1767.73, 0.00295497/step Wall: 1767.73, 0.00295497/step, 3.6141 hours remaining, 205.980469 MB of memory in use. ENERGY: 597000 714.9793 2134.7037 1929.3711 118.9911 -206006.7965 17896.4276 0.0000 0.0000 34356.3242 -148855.9996 300.0423 -183212.3238 -148759.2285 300.5039 32.6576 63.9168 559227.0476 -10.4584 -10.4395 PRESSURE: 597200 68.125 227.612 -98.9033 227.612 -106.865 8.17828 -98.9029 8.17753 -40.5647 GPRESSURE: 597200 91.3203 136.157 -73.4661 172.984 -60.6705 -2.4614 -179.956 -17.2523 -27.9442 PRESSAVG: 597200 48.414 -8.58567 10.5962 -8.58569 -10.5911 -14.9861 10.5963 -14.9862 -34.9511 GPRESSAVG: 597200 48.4171 -10.7791 13.0745 -7.52038 -10.2513 -13.7505 6.8231 -13.8454 -35.0542 TIMING: 597200 CPU: 1768.32, 0.00296989/step Wall: 1768.32, 0.00296989/step, 3.63218 hours remaining, 205.980469 MB of memory in use. ENERGY: 597200 733.8516 2110.8103 1926.5881 111.0341 -205539.5169 17589.4653 0.0000 0.0000 34208.3325 -148859.4350 298.7499 -183067.7675 -148761.5843 299.9525 -26.4351 0.9018 559589.1172 0.9573 1.0372 PRESSURE: 597400 161.678 149.114 -117.714 149.114 -113.944 148.188 -117.713 148.186 -145.118 GPRESSURE: 597400 163.665 206.599 -138.117 78.5096 -58.3441 83.3088 -86.8915 127.958 -101.885 PRESSAVG: 597400 91.5081 54.1221 13.0709 54.122 -13.2273 -18.9306 13.0709 -18.9306 -62.6561 GPRESSAVG: 597400 90.8799 55.5739 15.0752 52.663 -12.159 -19.8127 13.161 -19.5716 -62.5938 TIMING: 597400 CPU: 1768.91, 0.00296184/step Wall: 1768.91, 0.00296184/step, 3.62216 hours remaining, 205.980469 MB of memory in use. ENERGY: 597400 753.6223 2089.0293 1951.0445 112.9439 -206302.0159 17845.4487 0.0000 0.0000 34308.7151 -149241.2119 299.6265 -183549.9271 -149146.9713 299.6128 -32.4610 1.1455 557960.4006 5.2082 5.3757 PRESSURE: 597600 29.1899 -156.75 114.692 -156.75 13.1923 -154.763 114.692 -154.763 -9.91261 GPRESSURE: 597600 50.046 -156.908 93.1661 -146.923 54.7944 -169.781 76.7669 -186.725 32.0784 PRESSAVG: 597600 24.4154 -23.8233 3.54068 -23.8233 -3.25541 -0.200633 3.54076 -0.20075 -37.427 GPRESSAVG: 597600 25.7846 -25.7413 1.9515 -20.9121 -5.00178 -0.768985 4.10003 -0.972051 -36.9986 TIMING: 597600 CPU: 1769.51, 0.00296619/step Wall: 1769.51, 0.00296619/step, 3.62732 hours remaining, 205.980469 MB of memory in use. ENERGY: 597600 715.4801 2108.3472 1951.7749 125.9485 -206369.8591 17831.4431 0.0000 0.0000 34129.5709 -149507.2944 298.0620 -183636.8653 -149404.1849 299.1789 10.8232 45.6396 556572.0786 -5.4223 -5.4053 PRESSURE: 597800 -73.0892 42.7881 -132.303 42.7867 -154.206 70.6461 -132.303 70.6471 -9.50258 GPRESSURE: 597800 -8.20085 40.6286 -80.5083 -22.278 -157.57 128.765 -140.781 93.1796 13.8462 PRESSAVG: 597800 53.3681 -9.59175 10.2001 -9.59177 -10.8074 3.40137 10.2001 3.40128 0.179359 GPRESSAVG: 597800 53.1825 -6.97817 9.87163 -12.1909 -10.013 4.34056 11.6966 1.86073 -0.49048 TIMING: 597800 CPU: 1770.1, 0.00296343/step Wall: 1770.1, 0.00296343/step, 3.62379 hours remaining, 205.980469 MB of memory in use. ENERGY: 597800 787.8156 2077.9680 1978.1243 123.5023 -206458.2231 17868.6976 0.0000 0.0000 34151.3138 -149470.8014 298.2519 -183622.1152 -149381.3566 298.7804 -78.9327 -50.6416 558734.3124 14.2467 14.2263 PRESSURE: 598000 -188.286 -8.13029 49.7822 -8.1314 -32.8231 7.16177 49.7822 7.16101 61.0922 GPRESSURE: 598000 -123.123 -92.0088 84.556 81.1988 -9.67286 -5.59405 94.7217 25.5993 71.7421 PRESSAVG: 598000 71.3983 -9.70921 3.11786 -9.70923 -41.6636 1.62869 3.11787 1.6286 -37.2356 GPRESSAVG: 598000 70.4597 -8.30971 2.48228 -11.5162 -41.9988 3.37253 1.98716 3.60075 -36.5686 TIMING: 598000 CPU: 1770.69, 0.00296978/step Wall: 1770.69, 0.00296978/step, 3.63138 hours remaining, 205.980469 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: 598000 786.5807 2041.5205 1976.7964 126.0453 -206407.9863 17913.9604 0.0000 0.0000 34246.6049 -149316.4782 299.0841 -183563.0831 -149219.9404 298.6631 -53.3391 -20.3513 557652.6680 -2.5003 -2.7026 PRESSURE: 598200 -521.061 15.5338 169.694 15.5317 -289.872 396.049 169.694 396.05 -185.154 GPRESSURE: 598200 -459.467 -41.8316 142.793 -10.4138 -223.951 340.561 174.108 484.554 -215.295 PRESSAVG: 598200 11.3001 -53.4615 31.3895 -53.4616 -23.8929 25.6241 31.3896 25.6241 70.1724 GPRESSAVG: 598200 11.4258 -55.3431 32.8293 -51.6369 -24.0823 23.2107 29.6162 25.6426 70.03 TIMING: 598200 CPU: 1771.29, 0.00297471/step Wall: 1771.29, 0.00297471/step, 3.63725 hours remaining, 205.980469 MB of memory in use. ENERGY: 598200 757.0644 2090.2128 1932.3536 110.4224 -206084.5702 17441.4730 0.0000 0.0000 34338.1924 -149414.8516 299.8840 -183753.0440 -149319.7857 299.0351 -332.0290 -299.5713 556797.2764 19.1932 19.1245 PRESSURE: 598400 20.0634 2.79601 86.9093 2.79806 -196.725 -54.2988 86.9093 -54.2979 -14.7691 GPRESSURE: 598400 65.764 -38.5647 136.973 105.495 -173.217 -25.6613 -0.368483 40.7861 21.6586 PRESSAVG: 598400 32.1625 -67.95 61.5774 -67.95 -36.2887 63.5957 61.5774 63.5958 36.0751 GPRESSAVG: 598400 33.0956 -68.5377 60.4822 -66.7696 -37.1101 66.2415 62.8243 61.6059 35.9382 TIMING: 598400 CPU: 1771.88, 0.00295645/step Wall: 1771.88, 0.00295645/step, 3.61475 hours remaining, 205.980469 MB of memory in use. ENERGY: 598400 724.9987 2078.7793 1947.0246 122.1529 -206183.2868 17613.2573 0.0000 0.0000 34405.4592 -149291.6147 300.4714 -183697.0739 -149193.1572 298.8019 -63.8103 -28.5982 557698.9217 10.6496 10.6413 PRESSURE: 598600 -101.461 -181.046 65.3969 -181.046 -178.415 165.959 65.3979 165.959 -59.8252 GPRESSURE: 598600 -62.8961 -242.535 49.6543 -114.001 -121.632 143.628 69.9815 173.029 -61.2896 PRESSAVG: 598600 21.5431 -14.696 30.1119 -14.696 -39.3333 33.0093 30.112 33.0093 -10.9442 GPRESSAVG: 598600 20.6302 -11.8991 30.6063 -16.5679 -39.7475 33.3159 30.7365 33.1293 -9.38572 TIMING: 598600 CPU: 1772.48, 0.00297769/step Wall: 1772.48, 0.00297769/step, 3.64056 hours remaining, 205.980469 MB of memory in use. ENERGY: 598600 731.7769 2125.9997 1962.6138 111.3925 -206250.2819 17693.6975 0.0000 0.0000 34245.4382 -149379.3633 299.0739 -183624.8015 -149287.6699 298.9792 -113.2337 -81.9393 556718.8429 -9.5781 -9.5010 PRESSURE: 598800 261.48 -88.6906 223.74 -88.6903 -362.637 26.0689 223.74 26.0693 -122.06 GPRESSURE: 598800 215.159 -90.7688 191.135 -59.3367 -253.929 50.2241 252.812 88.2468 -83.5792 PRESSAVG: 598800 19.1065 -17.0355 -4.81579 -17.0356 -42.0018 -5.4563 -4.81584 -5.45644 14.1485 GPRESSAVG: 598800 19.0035 -19.6343 -6.225 -14.9132 -41.7052 -8.35846 -5.4127 -3.31713 13.1675 TIMING: 598800 CPU: 1773.08, 0.00299969/step Wall: 1773.08, 0.00299969/step, 3.66728 hours remaining, 205.980469 MB of memory in use. ENERGY: 598800 723.2599 2079.4529 1948.3053 115.5420 -206077.8211 17659.1706 0.0000 0.0000 34189.3882 -149362.7022 298.5844 -183552.0904 -149263.5389 298.9886 -74.4059 -40.7830 558025.7410 -2.9156 -3.1780 PRESSURE: 599000 138.36 58.3233 -267.727 58.3229 323.268 -40.0467 -267.726 -40.0473 127.789 GPRESSURE: 599000 185.805 36.0749 -323.56 87.0528 322.469 -48.0955 -196.321 -64.6185 174.717 PRESSAVG: 599000 17.4336 -37.8428 4.76836 -37.8428 -35.98 -43.7705 4.76841 -43.7705 44.5856 GPRESSAVG: 599000 18.6295 -38.9644 7.09306 -36.9205 -36.5983 -42.5936 4.3984 -43.5248 44.7941 TIMING: 599000 CPU: 1773.67, 0.00297286/step Wall: 1773.67, 0.00297286/step, 3.63433 hours remaining, 205.980469 MB of memory in use. ENERGY: 599000 690.1110 2128.3902 1954.7682 116.6055 -206245.9999 17949.0975 0.0000 0.0000 34203.8734 -149203.1542 298.7109 -183407.0276 -149105.4010 299.0466 196.4725 227.6637 557331.9965 8.6798 8.9418 PRESSURE: 599200 -25.5529 -79.3457 -47.3235 -79.3448 -18.5345 98.2387 -47.3219 98.2381 210.022 GPRESSURE: 599200 76.2895 -21.5482 -27.2774 -64.0213 3.84964 147.669 -41.0904 49.8128 176.558 PRESSAVG: 599200 9.92541 53.1614 -13.5216 53.1615 -30.6015 -18.2814 -13.5214 -18.2814 31.6106 GPRESSAVG: 599200 9.0541 56.1661 -15.9499 50.9456 -30.211 -17.9495 -11.7137 -19.1536 31.8719 TIMING: 599200 CPU: 1774.27, 0.00299041/step Wall: 1774.27, 0.00299041/step, 3.65562 hours remaining, 205.980469 MB of memory in use. ENERGY: 599200 705.0925 2120.9899 1945.4224 117.3235 -206305.3936 17779.3387 0.0000 0.0000 34352.9508 -149284.2757 300.0129 -183637.2265 -149179.9972 299.3289 55.3117 85.5657 556066.7592 3.6448 3.5717 PRESSURE: 599400 -74.749 -8.96409 104.376 -8.96454 -71.9417 115.624 104.377 115.625 -149.584 GPRESSURE: 599400 -21.9373 45.4876 68.2299 -7.30392 -83.0247 135.042 103.897 95.8891 -103.402 PRESSAVG: 599400 -32.6211 34.6386 -21.7334 34.6386 -68.892 9.94182 -21.7333 9.94181 78.8545 GPRESSAVG: 599400 -32.4098 33.3822 -19.575 35.3495 -69.7013 10.4881 -23.2814 8.97118 79.0179 TIMING: 599400 CPU: 1774.87, 0.00300135/step Wall: 1774.87, 0.00300135/step, 3.66882 hours remaining, 205.980469 MB of memory in use. ENERGY: 599400 691.9718 2095.4047 1946.0343 105.3186 -206247.9812 17721.1869 0.0000 0.0000 34157.6409 -149530.4240 298.3072 -183688.0649 -149430.0774 298.6029 -98.7582 -69.4547 556809.3001 -7.5529 -7.6977 PRESSURE: 599600 242.549 14.4367 -128.413 14.4366 342.497 204.336 -128.414 204.337 350.847 GPRESSURE: 599600 271.064 -39.5876 -54.7835 77.1595 441.553 151.972 -144.1 243.092 318.012 PRESSAVG: 599600 -16.0786 8.64097 -22.1642 8.64105 -8.92732 6.24273 -22.1643 6.24275 75.5186 GPRESSAVG: 599600 -16.0816 10.0755 -23.3455 8.24214 -8.16909 5.92714 -22.6176 7.24129 74.8143 TIMING: 599600 CPU: 1775.47, 0.00300543/step Wall: 1775.47, 0.00300543/step, 3.67364 hours remaining, 205.980469 MB of memory in use. ENERGY: 599600 711.4209 2067.5286 1973.7700 101.0900 -206629.3231 18287.5015 0.0000 0.0000 34309.3661 -149178.6459 299.6322 -183488.0120 -149078.1826 298.6006 311.9644 343.5429 556900.5957 16.8376 16.8545 PRESSURE: 599800 -128.154 -57.7799 67.9746 -57.7783 66.4475 -17.9111 67.9738 -17.9102 -71.3007 GPRESSURE: 599800 -105.75 -55.2492 30.0532 -66.1576 67.594 13.8595 65.7924 -24.2947 -12.9596 PRESSAVG: 599800 -65.4867 13.1936 -12.0918 13.1937 -5.18687 15.3111 -12.0918 15.3111 49.854 GPRESSAVG: 599800 -65.4009 11.6715 -10.1963 13.5687 -6.0245 17.672 -11.5579 13.3049 50.3783 TIMING: 599800 CPU: 1776.07, 0.00301776/step Wall: 1776.07, 0.00301776/step, 3.68854 hours remaining, 205.980469 MB of memory in use. ENERGY: 599800 722.6728 2099.2701 1970.1601 118.8264 -206055.4238 17772.1332 0.0000 0.0000 34145.5641 -149226.7972 298.2017 -183372.3613 -149131.2663 299.2233 -44.3357 -17.0385 558914.0066 -6.9399 -7.0157 PRESSURE: 600000 249.919 32.7429 -3.45825 32.7427 -30.1557 -25.9777 -3.4577 -25.9767 83.2209 GPRESSURE: 600000 247.783 -22.6755 29.4979 31.5938 66.7652 -81.0607 1.29638 20.584 90.3389 PRESSAVG: 600000 97.1448 7.70466 38.0232 7.70473 -43.8968 -9.13231 38.0233 -9.13234 -61.0445 GPRESSAVG: 600000 98.4515 7.34328 38.7503 6.41049 -44.5563 -10.1719 38.263 -7.44779 -61.3986 TIMING: 600000 CPU: 1776.68, 0.00301955/step Wall: 1776.68, 0.00301955/step, 3.69056 hours remaining, 205.980469 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: 600000 718.3648 2136.5856 1958.5297 113.6774 -206723.9672 17990.5792 0.0000 0.0000 34538.5282 -149267.7024 301.6336 -183806.2306 -149172.6158 299.6807 100.9946 134.9623 557360.1228 -2.5988 -2.5011 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 600000 WRITING COORDINATES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART COORDINATES The last position output (seq=600000) takes 0.010 seconds, 205.980 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 600200 -58.9613 28.0896 -105.68 28.0895 -101.098 -159.429 -105.68 -159.43 -29.8997 GPRESSURE: 600200 -82.9844 34.8835 -107.657 49.4392 -32.1888 -192.443 -167.945 -200.507 21.7018 PRESSAVG: 600200 26.8058 45.3285 36.7987 45.3285 -24.6097 -1.14936 36.7986 -1.1495 -32.6908 GPRESSAVG: 600200 23.5662 46.3651 32.8055 46.1779 -24.0419 -2.21547 37.5841 -1.83358 -30.8305 TIMING: 600200 CPU: 1777.29, 0.00307662/step Wall: 1777.29, 0.00307662/step, 3.76015 hours remaining, 205.980469 MB of memory in use. ENERGY: 600200 707.5488 2147.7926 1960.3134 133.6802 -205784.4229 17571.5021 0.0000 0.0000 34074.5217 -149189.0641 297.5813 -183263.5858 -149095.3848 298.9471 -63.3195 -31.1571 557833.9466 -10.1649 -10.4354 LDB: ============= START OF LOAD BALANCING ============== 1780.72 LDB: ============== END OF LOAD BALANCING =============== 1780.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1780.72 LDB: ============= START OF LOAD BALANCING ============== 1781.02 LDB: Largest compute 4820 load 0.031903 is 27.1% of average load 0.117873 LDB: Average compute 0.001701 is 1.4% of average load 0.117873 LDB: TIME 1781.02 LOAD: AVG 0.117873 MAX 0.198161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.41 MB LDB: TIME 1781.02 LOAD: AVG 0.117873 MAX 0.198161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.414 MB LDB: TIME 1781.02 LOAD: AVG 0.117873 MAX 0.198161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.414 MB LDB: ============== END OF LOAD BALANCING =============== 1781.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1781.03 PRESSURE: 600400 -211.954 -110.1 9.95485 -110.1 -289.178 -247.321 9.9549 -247.321 -111.329 GPRESSURE: 600400 -132.927 -197.286 28.0503 -26.2374 -258.372 -227.141 46.9607 -211.613 -112.04 PRESSAVG: 600400 80.311 3.42446 -21.8222 3.42443 -61.4499 -24.6919 -21.8222 -24.6919 -9.4852 GPRESSAVG: 600400 81.9787 2.78178 -20.0464 5.04722 -62.1843 -25.8453 -23.8281 -22.8837 -10.0224 TIMING: 600400 CPU: 1777.9, 0.0030462/step Wall: 1777.9, 0.0030462/step, 3.72279 hours remaining, 206.433594 MB of memory in use. ENERGY: 600400 761.2409 2110.9563 1937.8192 120.8712 -205682.0065 17459.1448 0.0000 0.0000 34237.9047 -149054.0695 299.0081 -183291.9742 -148958.7069 298.8140 -204.1537 -167.7797 559276.8786 3.1253 3.2573 PRESSURE: 600600 -162.243 71.1512 146.382 71.1497 48.0477 -90.0809 146.381 -90.0819 -184.407 GPRESSURE: 600600 -98.0849 49.2098 201.148 105.303 57.2671 -79.5047 97.0607 -118.295 -159.28 PRESSAVG: 600600 -12.6606 30.451 37.8695 30.451 -26.5376 -40.0525 37.8694 -40.0526 64.5194 GPRESSAVG: 600600 -11.6866 29.9633 38.5363 28.8559 -26.1848 -39.0979 38.3904 -41.8077 63.2219 TIMING: 600600 CPU: 1778.49, 0.00296406/step Wall: 1778.49, 0.00296406/step, 3.62225 hours remaining, 206.636719 MB of memory in use. ENERGY: 600600 739.4648 2083.3785 1959.9491 116.1822 -206148.3003 17649.6572 0.0000 0.0000 34524.1816 -149075.4869 301.5083 -183599.6685 -148973.7403 299.5374 -99.5342 -66.6992 558668.7980 8.4404 8.4502 PRESSURE: 600800 133.538 -21.7493 229.845 -21.75 -78.8756 -182.021 229.846 -182.02 88.7164 GPRESSURE: 600800 158.715 -23.2177 183.896 -31.2071 -86.0019 -273.548 253.856 -195.058 178.187 PRESSAVG: 600800 -29.376 33.9443 49.9822 33.9444 1.58749 20.4745 49.9823 20.4744 26.0375 GPRESSAVG: 600800 -29.7825 34.6688 48.4844 32.9891 1.36623 19.9053 51.0457 19.702 27.3974 TIMING: 600800 CPU: 1779.09, 0.00295438/step Wall: 1779.09, 0.00295438/step, 3.61025 hours remaining, 206.636719 MB of memory in use. ENERGY: 600800 768.9145 2066.4870 1982.6472 117.9436 -206230.2042 17982.6014 0.0000 0.0000 34154.5669 -149157.0437 298.2803 -183311.6105 -149058.6379 300.2232 47.7929 83.6335 558067.4611 -0.5837 -0.3396 PRESSURE: 601000 33.844 -7.2294 172.004 -7.22963 70.9013 175.749 172.004 175.749 -162.831 GPRESSURE: 601000 67.8624 26.6019 185.793 -28.3884 142.105 271.701 222.702 156.171 -174.359 PRESSAVG: 601000 76.2021 16.4663 11.5212 16.4664 -90.8566 -18.8841 11.5212 -18.8841 -20.5168 GPRESSAVG: 601000 76.0684 16.8588 13.1639 17.4567 -91.2395 -18.3622 13.3069 -18.6185 -20.7176 TIMING: 601000 CPU: 1779.68, 0.00298764/step Wall: 1779.68, 0.00298764/step, 3.65073 hours remaining, 206.636719 MB of memory in use. ENERGY: 601000 723.7471 2094.9354 1954.4197 109.8062 -206257.8947 17730.9654 0.0000 0.0000 34217.3305 -149426.6904 298.8285 -183644.0209 -149337.0218 299.2544 -19.3621 11.8697 557361.3131 -11.7238 -11.9629 PRESSURE: 601200 231.265 90.4897 22.6135 90.4901 -124.424 206.711 22.6129 206.711 -5.72427 GPRESSURE: 601200 266.741 115.445 -36.502 42.5275 -94.413 188.586 -4.72612 256.087 25.6395 PRESSAVG: 601200 27.2298 21.0287 -43.9591 21.0287 -48.9443 18.536 -43.959 18.5361 33.5551 GPRESSAVG: 601200 27.206 20.6594 -45.5942 21.7913 -49.3163 20.9567 -47.4059 17.3187 33.5045 TIMING: 601200 CPU: 1780.28, 0.00299758/step Wall: 1780.28, 0.00299758/step, 3.66271 hours remaining, 206.636719 MB of memory in use. ENERGY: 601200 761.4432 2055.8487 1944.0262 103.5333 -206277.8873 17779.8476 0.0000 0.0000 33997.2283 -149635.9600 296.9063 -183633.1883 -149537.2759 298.5562 33.7053 65.9890 556267.0137 3.9469 3.7981 PRESSURE: 601400 -128.156 195.54 15.6982 195.541 -41.0408 -87.3936 15.6988 -87.3936 20.6677 GPRESSURE: 601400 -148.562 116.577 17.3586 228.765 -21.3415 -140.813 -22.2913 -41.9501 106.713 PRESSAVG: 601400 19.2405 -0.957917 11.7614 -0.957898 -4.55069 67.6531 11.7614 67.6531 19.5293 GPRESSAVG: 601400 19.6409 -1.30996 13.9744 -1.36728 -4.14423 66.1318 12.0131 71.5821 18.8432 TIMING: 601400 CPU: 1780.88, 0.00300153/step Wall: 1780.88, 0.00300152/step, 3.66736 hours remaining, 206.636719 MB of memory in use. ENERGY: 601400 754.2521 2060.4032 1945.2498 106.4609 -206444.3845 17766.3282 0.0000 0.0000 34075.4905 -149736.1999 297.5897 -183811.6904 -149641.9537 297.9295 -49.5097 -21.0633 555723.5697 11.4064 11.4466 PRESSURE: 601600 -187.698 -47.7784 -24.5113 -47.7794 -19.2916 -95.198 -24.5112 -95.1978 160.782 GPRESSURE: 601600 -130.097 -32.6774 -32.0923 -10.889 4.98618 -168.112 -6.15848 -156.415 174.123 PRESSAVG: 601600 -42.7592 6.6476 -40.7104 6.64771 8.01193 -26.2863 -40.7103 -26.2864 -4.93147 GPRESSAVG: 601600 -43.8048 8.18022 -41.9363 6.15487 7.47406 -24.7806 -41.2866 -26.9234 -3.73399 TIMING: 601600 CPU: 1781.48, 0.00296992/step Wall: 1781.48, 0.00296992/step, 3.62858 hours remaining, 206.636719 MB of memory in use. ENERGY: 601600 785.3781 2091.7850 1958.6647 98.1465 -206647.9772 17870.0164 0.0000 0.0000 34385.9267 -149458.0597 300.3009 -183843.9864 -149367.6112 298.5816 -15.4027 16.3373 555225.2040 -13.2263 -13.3549 PRESSURE: 601800 -6.17956 -30.4761 -110.909 -30.4764 -6.90327 -141.74 -110.909 -141.742 -101.069 GPRESSURE: 601800 7.80896 26.6957 -11.6672 -47.611 41.8933 -106.057 -119.227 -138.934 -65.1516 PRESSAVG: 601800 -105.463 -47.538 -29.7884 -47.5379 66.0229 -83.6476 -29.7883 -83.6477 104.273 GPRESSAVG: 601800 -104.247 -51.4388 -29.4822 -46.3167 65.9886 -85.5124 -28.1207 -85.6526 103.777 TIMING: 601800 CPU: 1782.07, 0.00298854/step Wall: 1782.07, 0.00298854/step, 3.65116 hours remaining, 206.636719 MB of memory in use. ENERGY: 601800 733.3881 2108.1933 1964.4522 123.5141 -206459.4842 17798.2798 0.0000 0.0000 34262.3785 -149469.2782 299.2219 -183731.6567 -149371.5495 298.4600 -38.0508 -5.1498 555977.6182 21.6110 21.8396 PRESSURE: 602000 228.47 -12.5316 101.148 -12.5306 -63.2131 46.8649 101.147 46.865 -55.6879 GPRESSURE: 602000 287.194 32.2085 85.5931 -76.0924 11.2819 100.19 70.3001 -26.8506 -100.424 PRESSAVG: 602000 -5.69408 -22.4987 -22.1916 -22.4987 26.474 -24.3688 -22.1916 -24.3688 -18.1993 GPRESSAVG: 602000 -4.95322 -19.3897 -22.6213 -24.4209 25.287 -23.2998 -22.7515 -23.938 -18.0511 TIMING: 602000 CPU: 1782.67, 0.00297783/step Wall: 1782.67, 0.00297783/step, 3.63792 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: 602000 777.1197 2084.5596 1940.9759 105.2806 -206423.8979 17780.1309 0.0000 0.0000 34185.3943 -149550.4369 298.5496 -183735.8312 -149457.2805 298.4230 36.5231 66.0173 555261.4483 0.8602 0.7609 PRESSURE: 602200 196.479 6.21078 -16.0857 6.20938 -192.823 -94.2698 -16.0869 -94.2703 -21.861 GPRESSURE: 602200 171.975 38.8585 -47.8115 -42.982 -159.059 -40.683 -31.2171 -190.118 66.7619 PRESSAVG: 602200 63.437 -7.29352 -36.8927 -7.29354 -29.3959 39.0091 -36.8926 39.0092 -30.9509 GPRESSAVG: 602200 63.3173 -8.26369 -38.5172 -6.2484 -28.011 39.7871 -35.4433 39.4693 -31.6549 TIMING: 602200 CPU: 1783.27, 0.00298104/step Wall: 1783.27, 0.00298104/step, 3.64167 hours remaining, 206.636719 MB of memory in use. ENERGY: 602200 765.5978 2123.9319 1949.7815 109.4653 -206425.5975 17880.7699 0.0000 0.0000 33931.3479 -149664.7032 296.3309 -183596.0511 -149574.8285 297.8270 -6.0683 26.5593 555914.3963 1.0301 1.2171 PRESSURE: 602400 -46.6316 49.714 -54.9364 49.7165 -154.612 -117.221 -54.9362 -117.223 -15.4782 GPRESSURE: 602400 -74.6581 39.7161 -31.5169 95.7161 -127.201 -51.6359 26.2112 -119.815 93.194 PRESSAVG: 602400 -7.21731 10.8716 -0.909716 10.8717 -52.7192 23.4051 -0.909732 23.4049 36.3596 GPRESSAVG: 602400 -8.23102 11.0067 1.87014 9.50202 -51.7874 22.2131 -1.55566 23.1298 36.7314 TIMING: 602400 CPU: 1783.86, 0.00299081/step Wall: 1783.86, 0.00299081/step, 3.65344 hours remaining, 206.636719 MB of memory in use. ENERGY: 602400 732.1273 2068.1390 1936.4452 119.2801 -206337.7508 17737.4269 0.0000 0.0000 33931.2365 -149813.0959 296.3299 -183744.3324 -149703.6457 296.7013 -72.2406 -36.2216 558336.1612 -7.8590 -7.7623 PRESSURE: 602600 -166.386 -58.3523 -96.0278 -58.3531 46.5679 180.781 -96.0274 180.781 120.629 GPRESSURE: 602600 -149.028 -88.0269 -149.825 -48.4085 60.8967 214.094 -97.7781 119.704 164.334 PRESSAVG: 602600 64.5367 23.0763 28.0806 23.0763 -43.4894 12.7113 28.0807 12.7113 1.57222 GPRESSAVG: 602600 63.8659 24.2464 28.8172 24.6633 -42.8018 13.1379 26.8917 11.9674 1.38219 TIMING: 602600 CPU: 1784.46, 0.00297553/step Wall: 1784.46, 0.00297553/step, 3.63461 hours remaining, 206.636719 MB of memory in use. ENERGY: 602600 745.4942 2130.7259 1948.6655 115.8052 -206672.6575 17880.4609 0.0000 0.0000 33899.6933 -149951.8124 296.0545 -183851.5057 -149855.9055 297.6360 0.2704 25.4008 557668.8174 7.5398 7.4821 PRESSURE: 602800 63.8272 60.7914 -78.4681 60.7917 93.0713 185.723 -78.4688 185.724 -180.076 GPRESSURE: 602800 107.843 45.2184 -37.1453 153.732 88.4148 151.47 -155.828 157.091 -117.212 PRESSAVG: 602800 -27.4319 -19.3617 -19.1634 -19.3617 32.4939 -32.6501 -19.1634 -32.6501 17.0516 GPRESSAVG: 602800 -27.4291 -20.8423 -21.518 -18.4215 31.5812 -33.8857 -17.6155 -31.4602 18.2709 TIMING: 602800 CPU: 1785.06, 0.002993/step Wall: 1785.06, 0.002993/step, 3.65578 hours remaining, 206.636719 MB of memory in use. ENERGY: 602800 738.6348 2162.0841 1921.6071 118.9614 -206245.5030 17807.2468 0.0000 0.0000 33688.3321 -149808.6368 294.2086 -183496.9688 -149720.2460 296.7691 -7.7259 26.3486 557303.1254 7.3712 7.4743 PRESSURE: 603000 257.153 -27.3977 -88.729 -27.3978 8.81828 -53.9542 -88.7287 -53.9548 185.206 GPRESSURE: 603000 298.336 -24.1304 -131.483 -0.187718 50.3284 -84.1824 -94.403 -24.1442 203.357 PRESSAVG: 603000 -26.7089 33.6677 41.341 33.6677 65.2568 26.4188 41.341 26.4189 -47.7067 GPRESSAVG: 603000 -26.0028 34.0844 43.5273 30.8398 65.1284 27.1997 40.9508 24.0937 -48.5397 TIMING: 603000 CPU: 1785.65, 0.00298148/step Wall: 1785.65, 0.00298148/step, 3.64154 hours remaining, 206.636719 MB of memory in use. ENERGY: 603000 762.8018 2126.4160 1970.4649 118.7381 -206932.1786 18118.6090 0.0000 0.0000 34122.6486 -149712.5001 298.0016 -183835.1486 -149614.5608 297.1918 150.3926 184.0073 556289.7176 -3.0530 -3.1380 PRESSURE: 603200 93.9759 -96.4059 70.3408 -96.4055 -43.9381 83.3295 70.3393 83.3299 -138.558 GPRESSURE: 603200 147.746 -88.2431 59.3777 -85.377 -26.7303 79.9684 60.8878 102.327 -113.967 PRESSAVG: 603200 -41.2432 10.3409 -57.439 10.3409 55.7252 -24.7785 -57.4391 -24.7786 -22.5091 GPRESSAVG: 603200 -41.9871 9.88978 -58.5004 13.1096 55.0971 -25.8871 -56.8802 -23.3217 -21.8772 TIMING: 603200 CPU: 1786.25, 0.00299487/step Wall: 1786.25, 0.00299487/step, 3.65773 hours remaining, 206.636719 MB of memory in use. ENERGY: 603200 750.9261 2124.1907 1950.6792 109.4228 -206658.2146 17970.6708 0.0000 0.0000 33983.4760 -149768.8489 296.7861 -183752.3249 -149675.3543 297.8785 -29.5066 2.3495 557677.9002 -2.6757 -2.9224 PRESSURE: 603400 -228.845 -82.1134 64.4236 -82.1116 -44.4826 -67.6466 64.4233 -67.6473 -327.561 GPRESSURE: 603400 -173.934 -19.0437 40.4895 -19.7057 -20.9075 -110.786 125.084 -25.59 -309.233 PRESSAVG: 603400 -8.69084 -78.9342 58.9613 -78.9342 45.4229 10.125 58.9613 10.125 -19.0247 GPRESSAVG: 603400 -8.11407 -79.1612 60.1373 -78.1804 44.5508 12.7638 58.2781 8.99719 -19.3332 TIMING: 603400 CPU: 1786.84, 0.002941/step Wall: 1786.84, 0.00294099/step, 3.59177 hours remaining, 206.636719 MB of memory in use. ENERGY: 603400 823.3366 2089.4836 1958.1806 116.0509 -206608.6461 17737.6267 0.0000 0.0000 34240.9171 -149643.0507 299.0344 -183883.9678 -149549.6746 298.1728 -200.2963 -168.0248 556723.0210 5.9025 5.7012 PRESSURE: 603600 149.355 115.107 53.2235 115.106 220.659 -129.946 53.2235 -129.946 119.995 GPRESSURE: 603600 120.727 130.166 35.0742 139.82 234.941 -112.126 -0.664075 -200.128 206.53 PRESSAVG: 603600 -10.5194 14.734 40.9553 14.7339 50.8693 11.6397 40.9553 11.6397 -5.40712 GPRESSAVG: 603600 -10.3371 16.0187 42.5966 12.8044 50.5117 9.53983 40.1357 14.1407 -4.9002 TIMING: 603600 CPU: 1787.43, 0.00294745/step Wall: 1787.43, 0.00294745/step, 3.59949 hours remaining, 206.636719 MB of memory in use. ENERGY: 603600 761.0628 2116.9399 1994.6683 117.2126 -206638.3830 18013.7669 0.0000 0.0000 34092.3987 -149542.3339 297.7374 -183634.7326 -149454.2237 298.0855 163.3363 187.3996 555309.0075 11.6476 11.7581 PRESSURE: 603800 -207.472 39.3194 52.075 39.3196 35.7959 47.4812 52.0757 47.4803 49.4735 GPRESSURE: 603800 -172.507 27.5358 74.4941 -13.0209 43.7173 8.01759 9.4004 89.2799 90.451 PRESSAVG: 603800 -75.3027 33.2221 50.5223 33.2221 -17.509 24.6656 50.5222 24.6657 89.0857 GPRESSAVG: 603800 -76.9815 33.5133 47.7328 33.0131 -16.0474 23.0122 52.4287 23.5422 88.7248 TIMING: 603800 CPU: 1788.03, 0.00299299/step Wall: 1788.03, 0.00299299/step, 3.65493 hours remaining, 206.636719 MB of memory in use. ENERGY: 603800 749.7845 2110.4526 1950.6643 117.9264 -206201.4127 17727.8655 0.0000 0.0000 33952.8287 -149591.8909 296.5185 -183544.7195 -149494.0410 298.1140 -40.7341 -12.7797 556663.5108 -1.2420 -1.4347 PRESSURE: 604000 156.368 -15.8069 -40.3407 -15.8061 -54.0818 240.901 -40.3405 240.901 -135.389 GPRESSURE: 604000 146.109 -40.7054 -114.241 47.8631 -30.7421 256.31 -30.174 189.985 -61.7858 PRESSAVG: 604000 -75.0954 58.5348 77.615 58.5349 3.83983 21.1907 77.615 21.1907 97.6566 GPRESSAVG: 604000 -73.2869 57.1696 77.3102 60.2642 3.1804 21.9707 76.0124 21.0214 96.6061 TIMING: 604000 CPU: 1788.62, 0.00293188/step Wall: 1788.62, 0.00293188/step, 3.58015 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: 604000 741.6895 2096.3374 1976.8836 119.6447 -206712.2028 17998.7605 0.0000 0.0000 34117.2939 -149661.5931 297.9548 -183778.8870 -149563.5356 297.9799 -11.0344 17.8604 556736.8753 8.8003 8.8332 PRESSURE: 604200 169.993 33.1535 -49.382 33.1528 28.8637 77.9986 -49.383 77.9995 -129.295 GPRESSURE: 604200 188.076 115.83 -48.5845 10.4504 89.8629 88.8806 -93.2296 59.9037 -111.225 PRESSAVG: 604200 -58.2609 79.7771 -64.3432 79.7772 68.2088 39.9324 -64.3432 39.9323 23.9244 GPRESSAVG: 604200 -59.4247 79.5341 -62.814 78.7316 68.0146 39.9612 -64.7469 41.2601 24.763 TIMING: 604200 CPU: 1789.21, 0.00295594/step Wall: 1789.21, 0.00295594/step, 3.60937 hours remaining, 206.636719 MB of memory in use. ENERGY: 604200 747.5093 2142.8287 1959.7892 122.0145 -206681.9000 17934.8964 0.0000 0.0000 34152.0882 -149622.7738 298.2587 -183774.8620 -149526.4725 297.7139 23.1870 55.5715 557474.2430 11.2908 11.1176 LDB: ============= START OF LOAD BALANCING ============== 1792.64 LDB: ============== END OF LOAD BALANCING =============== 1792.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1792.64 LDB: ============= START OF LOAD BALANCING ============== 1792.93 LDB: Largest compute 4820 load 0.031794 is 27.0% of average load 0.117873 LDB: Average compute 0.001707 is 1.4% of average load 0.117873 LDB: TIME 1792.93 LOAD: AVG 0.117873 MAX 0.194569 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.922 MB LDB: TIME 1792.93 LOAD: AVG 0.117873 MAX 0.194569 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: TIME 1792.94 LOAD: AVG 0.117873 MAX 0.194569 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1792.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1792.94 PRESSURE: 604400 114.14 171.27 -6.30355 171.269 46.4994 -80.1001 -6.30435 -80.1001 40.4654 GPRESSURE: 604400 94.9906 166.493 -46.8392 182.016 115.01 -25.8652 -33.2792 -63.7038 91.6195 PRESSAVG: 604400 -40.8674 12.7961 -34.7929 12.7961 67.3748 37.3485 -34.7929 37.3484 -7.37826 GPRESSAVG: 604400 -42.1311 15.7615 -36.2806 12.2879 68.9163 39.0902 -35.049 36.1404 -8.17989 TIMING: 604400 CPU: 1789.81, 0.00301946/step Wall: 1789.81, 0.00301946/step, 3.68676 hours remaining, 205.140625 MB of memory in use. ENERGY: 604400 740.5032 2134.1407 1947.2884 116.1555 -206837.5041 18138.6781 0.0000 0.0000 34128.9670 -149631.7712 298.0568 -183760.7382 -149537.7390 298.6322 67.0348 100.5399 557404.9504 6.3764 6.2018 PRESSURE: 604600 40.5417 94.2655 -64.5537 94.2649 -143.522 -10.2042 -64.5523 -10.2053 10.5847 GPRESSURE: 604600 35.8593 25.0843 -82.9108 144.747 -123.946 -34.0659 -3.17268 15.6314 95.919 PRESSAVG: 604600 -46.8825 8.91783 0.755453 8.91785 16.18 23.0004 0.755401 23.0004 10.0815 GPRESSAVG: 604600 -46.5919 6.43389 1.10464 9.02356 14.8668 21.644 2.01238 21.0467 10.483 TIMING: 604600 CPU: 1790.4, 0.00293852/step Wall: 1790.4, 0.00293852/step, 3.58777 hours remaining, 205.210938 MB of memory in use. ENERGY: 604600 757.4311 2085.7407 1975.2691 113.4047 -206834.4806 18032.7811 0.0000 0.0000 34348.8913 -149520.9626 299.9774 -183869.8540 -149417.6324 298.6715 -30.7984 2.6107 556413.0819 -6.8737 -7.0807 PRESSURE: 604800 -105.303 6.27988 52.2533 6.28205 -102.841 -108.974 52.254 -108.976 -66.6173 GPRESSURE: 604800 -87.8872 8.53275 2.31551 1.53221 -72.6358 -103.735 124.625 -105.815 -24.4443 PRESSAVG: 604800 11.309 26.6229 21.1678 26.623 -10.7508 -27.941 21.1678 -27.9408 -3.81999 GPRESSAVG: 604800 11.4452 27.5277 22.1287 27.4602 -11.172 -25.6292 20.0922 -27.6141 -4.17352 TIMING: 604800 CPU: 1790.99, 0.0029491/step Wall: 1790.99, 0.0029491/step, 3.60052 hours remaining, 205.210938 MB of memory in use. ENERGY: 604800 757.4180 2101.6331 1974.7530 113.9410 -206482.8264 17808.4274 0.0000 0.0000 34276.3142 -149450.3397 299.3436 -183726.6539 -149353.4891 298.4520 -91.5870 -61.6558 556245.0696 -1.0873 -1.3001 PRESSURE: 605000 -48.5441 123.148 -166.792 123.15 -101.711 247.738 -166.792 247.738 53.4976 GPRESSURE: 605000 60.9845 98.9491 -117.847 107.063 -75.4099 220.503 -160.977 225.231 14.6409 PRESSAVG: 605000 -45.8177 14.5975 42.7006 14.5977 -1.38875 15.6661 42.7007 15.666 51.4453 GPRESSAVG: 605000 -46.597 14.8714 39.929 13.8796 -1.85222 13.491 44.7046 16.5517 52.6382 TIMING: 605000 CPU: 1791.59, 0.00299745/step Wall: 1791.59, 0.00299745/step, 3.65939 hours remaining, 205.210938 MB of memory in use. ENERGY: 605000 775.0332 2121.9909 1972.6690 107.7195 -206079.2153 17721.6803 0.0000 0.0000 34064.4891 -149315.6334 297.4937 -183380.1225 -149225.3725 298.7590 -32.2523 0.0718 557040.9635 1.4129 1.3963 PRESSURE: 605200 -161.453 -76.9131 129.234 -76.9138 -101.525 -57.4409 129.234 -57.4416 162.613 GPRESSURE: 605200 -158.459 -10.8287 95.2925 -115.352 -84.2629 1.32022 139.912 -68.4152 233.317 PRESSAVG: 605200 13.1332 -29.299 -9.52377 -29.2989 -25.0773 25.658 -9.5237 25.6582 19.3864 GPRESSAVG: 605200 14.4318 -28.1828 -8.21008 -29.0014 -24.4231 27.7371 -9.897 24.7214 18.0149 TIMING: 605200 CPU: 1792.19, 0.0029889/step Wall: 1792.19, 0.0029889/step, 3.64878 hours remaining, 205.210938 MB of memory in use. ENERGY: 605200 754.9011 2100.4783 1956.0288 107.8363 -206492.4647 18006.9832 0.0000 0.0000 34118.9328 -149447.3041 297.9691 -183566.2370 -149352.6510 299.0004 -33.4552 -3.1352 557371.3417 2.4808 2.6745 PRESSURE: 605400 173.021 65.1987 1.25333 65.1977 -8.53595 -67.7966 1.25373 -67.7972 155.45 GPRESSURE: 605400 231.369 63.5752 -27.163 48.3745 55.5452 -77.7901 -14.1141 -20.3962 122.25 PRESSAVG: 605400 -14.7714 33.6192 77.2314 33.6191 -12.7925 -14.3364 77.2313 -14.3363 58.9069 GPRESSAVG: 605400 -14.5054 33.7616 76.9522 32.976 -14.2366 -16.2185 77.0633 -13.6897 59.3825 TIMING: 605400 CPU: 1792.78, 0.00299259/step Wall: 1792.78, 0.00299259/step, 3.65312 hours remaining, 205.210938 MB of memory in use. ENERGY: 605400 797.7667 2110.9561 1936.3102 108.0655 -206871.1455 18112.3499 0.0000 0.0000 34395.6048 -149410.0922 300.3854 -183805.6971 -149323.8819 298.8167 106.6451 136.3881 556641.9265 10.4477 10.2135 PRESSURE: 605600 27.5105 -48.1878 -111.112 -48.1858 59.5771 -2.38317 -111.112 -2.38139 342.614 GPRESSURE: 605600 30.6978 -131.275 -129.349 24.4 105.579 -57.9812 -43.5988 43.0203 405.687 PRESSAVG: 605600 30.7316 4.7095 -22.0699 4.70952 -20.6989 9.94746 -22.0699 9.94736 -36.3358 GPRESSAVG: 605600 30.7997 3.32483 -22.8276 5.54565 -20.5477 9.56486 -22.9771 11.8506 -36.3199 TIMING: 605600 CPU: 1793.38, 0.00297428/step Wall: 1793.38, 0.00297428/step, 3.6306 hours remaining, 205.210938 MB of memory in use. ENERGY: 605600 722.9484 2119.9526 1966.2455 121.6473 -206848.0263 18068.7932 0.0000 0.0000 34319.3172 -149529.1221 299.7191 -183848.4393 -149436.3938 298.3155 143.2340 180.6545 555925.0286 -8.7677 -8.6893 PRESSURE: 605800 -142.617 -106.981 144.025 -106.981 87.695 -211.256 144.025 -211.256 1.01356 GPRESSURE: 605800 -53.1051 -60.5793 83.6367 -102.115 102.21 -279.246 228.646 -185.234 -6.10342 PRESSAVG: 605800 41.3139 -28.344 17.4663 -28.344 -29.3661 -66.9474 17.4664 -66.9472 1.77242 GPRESSAVG: 605800 41.6417 -27.6768 19.5823 -28.9365 -29.2846 -65.8195 18.6329 -68.5804 2.1522 TIMING: 605800 CPU: 1793.97, 0.00296867/step Wall: 1793.97, 0.00296867/step, 3.62359 hours remaining, 205.210938 MB of memory in use. ENERGY: 605800 751.7813 2100.7440 1921.7635 106.8924 -206279.9873 17780.7218 0.0000 0.0000 34212.1490 -149405.9354 298.7832 -183618.0843 -149303.9294 298.4501 -17.9695 14.3339 557777.7177 4.5734 4.8364 PRESSURE: 606000 -154.898 -121.469 -205.24 -121.471 100.275 -131.827 -205.241 -131.827 69.862 GPRESSURE: 606000 -148.414 -80.439 -250.765 -135.549 136.494 -44.2453 -146.788 -212.988 128.194 PRESSAVG: 606000 -32.5239 -38.792 3.81406 -38.7921 7.81407 -15.3004 3.81394 -15.3005 -11.1468 GPRESSAVG: 606000 -33.5319 -37.8733 4.12592 -38.5681 8.14925 -16.0757 2.42743 -15.5086 -10.6944 TIMING: 606000 CPU: 1794.57, 0.00297769/step Wall: 1794.57, 0.00297769/step, 3.63444 hours remaining, 205.210938 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: 606000 739.4177 2040.1342 1967.0977 131.4998 -206360.4738 17947.1026 0.0000 0.0000 34201.4428 -149333.7789 298.6897 -183535.2217 -149245.5333 298.9542 5.0796 38.7580 559443.6517 -11.9522 -12.0257 PRESSURE: 606200 111.573 -13.2472 -103.617 -13.246 316.022 -164.525 -103.617 -164.525 155.238 GPRESSURE: 606200 110.481 83.238 -79.7373 -35.8432 355.117 -110.368 -112.481 -176.504 216.769 PRESSAVG: 606200 2.45859 -12.6824 -27.5926 -12.6824 15.6692 -66.8965 -27.5926 -66.8966 13.3927 GPRESSAVG: 606200 2.50652 -13.4147 -28.1226 -11.4014 15.6152 -67.2745 -27.4369 -68.4853 13.1129 TIMING: 606200 CPU: 1795.16, 0.002979/step Wall: 1795.16, 0.002979/step, 3.63587 hours remaining, 205.210938 MB of memory in use. ENERGY: 606200 724.9212 2082.6390 1940.6823 94.3410 -206484.2389 18206.9842 0.0000 0.0000 34158.7294 -149275.9418 298.3167 -183434.6712 -149183.6996 298.9277 194.2778 227.4556 559151.0523 10.5068 10.4115 PRESSURE: 606400 -83.6396 80.9467 -106.519 80.9459 -47.7161 15.3514 -106.518 15.3503 -90.6751 GPRESSURE: 606400 -66.7707 30.4665 -114.6 166.05 -26.3237 -45.5758 -56.1049 67.0738 -19.2642 PRESSAVG: 606400 9.58003 41.471 -13.9057 41.471 24.2209 -18.8335 -13.9055 -18.8336 -22.5542 GPRESSAVG: 606400 10.208 40.4543 -14.314 41.546 23.5726 -20.9816 -13.9916 -16.8344 -22.911 TIMING: 606400 CPU: 1795.75, 0.00294732/step Wall: 1795.75, 0.00294732/step, 3.59704 hours remaining, 205.210938 MB of memory in use. ENERGY: 606400 797.4193 2059.7634 1957.5079 105.4314 -206430.3152 17847.5164 0.0000 0.0000 34323.0413 -149339.6354 299.7517 -183662.6767 -149242.2576 298.7315 -74.0103 -37.4529 558796.2766 3.7489 3.6232 PRESSURE: 606600 -228.111 140.801 196.718 140.801 24.6223 118.187 196.719 118.187 -80.6473 GPRESSURE: 606600 -189.505 120.831 235.092 123.749 17.4581 158.84 209.569 80.7764 -4.66228 PRESSAVG: 606600 68.6496 36.7772 71.0281 36.7772 -31.0771 -6.94734 71.0279 -6.94741 -31.3544 GPRESSAVG: 606600 68.1359 37.7807 72.3639 35.536 -30.8347 -4.68262 70.8778 -7.04109 -31.237 TIMING: 606600 CPU: 1796.35, 0.0029831/step Wall: 1796.35, 0.0029831/step, 3.64055 hours remaining, 205.210938 MB of memory in use. ENERGY: 606600 766.8063 2103.3059 1936.3441 113.2623 -206347.6938 17864.6953 0.0000 0.0000 34206.2227 -149357.0572 298.7315 -183563.2799 -149266.1098 298.4894 -94.7120 -58.9029 558225.9573 2.0727 2.0214 PRESSURE: 606800 46.1365 15.2416 -155.585 15.2425 -10.6672 211.267 -155.586 211.266 -260.973 GPRESSURE: 606800 114.708 -42.5191 -82.7687 -16.1858 -68.0567 176.879 -157.908 224.041 -179.556 PRESSAVG: 606800 27.4326 9.03444 -6.71828 9.03432 34.3488 -17.5506 -6.71838 -17.5503 -13.5604 GPRESSAVG: 606800 27.0718 9.15173 -6.45011 8.2261 34.4937 -17.741 -7.68383 -18.2765 -13.8932 TIMING: 606800 CPU: 1796.95, 0.00297937/step Wall: 1796.95, 0.00297937/step, 3.63582 hours remaining, 205.210938 MB of memory in use. ENERGY: 606800 755.9868 2100.6151 1931.0880 125.3299 -206301.1833 17861.8075 0.0000 0.0000 34302.9788 -149223.3773 299.5764 -183526.3560 -149124.4651 298.4854 -75.1679 -44.3016 558603.7044 16.0737 15.8907 PRESSURE: 607000 18.0134 -0.0715723 -123.229 -0.0707138 145.565 -57.885 -123.226 -57.886 -103.225 GPRESSURE: 607000 18.6349 29.0159 -121.59 -77.2164 138.934 -43.0178 -96.6359 -83.1767 3.59387 PRESSAVG: 607000 -14.0766 52.874 -43.5052 52.8741 15.8783 -16.2049 -43.5052 -16.2049 -27.0254 GPRESSAVG: 607000 -14.1334 50.8232 -44.0198 54.8631 15.8182 -15.1949 -42.4489 -16.0364 -26.1716 TIMING: 607000 CPU: 1797.55, 0.0030004/step Wall: 1797.55, 0.0030004/step, 3.66133 hours remaining, 205.210938 MB of memory in use. ENERGY: 607000 769.7641 2066.6333 1947.5249 112.6699 -205879.9828 17704.8041 0.0000 0.0000 34141.8058 -149136.7806 298.1689 -183278.5864 -149042.1293 299.3657 20.1176 53.7208 557781.9059 -8.4079 -8.1623 PRESSURE: 607200 -74.5511 20.8517 31.4298 20.8513 33.0877 -90.1881 31.4297 -90.1882 41.2491 GPRESSURE: 607200 -3.01555 -78.2908 66.9984 54.6568 51.3199 -68.971 36.1625 -87.9476 53.5277 PRESSAVG: 607200 39.5112 42.1018 -4.83695 42.102 -24.0961 -18.0914 -4.83693 -18.0914 -22.5106 GPRESSAVG: 607200 40.7321 40.8322 -5.92327 42.8448 -23.8459 -20.5334 -2.20752 -17.8287 -24.102 TIMING: 607200 CPU: 1798.14, 0.00298133/step Wall: 1798.14, 0.00298133/step, 3.63788 hours remaining, 205.210938 MB of memory in use. ENERGY: 607200 750.1641 2099.7994 1934.0361 114.8262 -206608.9281 17963.1515 0.0000 0.0000 34401.4449 -149345.5059 300.4364 -183746.9508 -149255.1303 299.2288 -0.0715 33.9440 556532.5554 -2.3652 -2.4052 PRESSURE: 607400 -3.97496 14.1723 107.109 14.1735 -133.615 31.8169 107.111 31.8172 -196.291 GPRESSURE: 607400 14.3997 -56.1422 122.244 -6.55965 -123.064 14.1835 126.947 102.861 -131.635 PRESSAVG: 607400 31.3914 42.8502 25.6179 42.8503 -11.7752 -36.423 25.6179 -36.423 -14.8169 GPRESSAVG: 607400 31.1432 42.7052 26.4273 43.078 -11.6917 -35.1806 24.4751 -35.75 -14.6377 TIMING: 607400 CPU: 1798.74, 0.00296309/step Wall: 1798.74, 0.00296309/step, 3.61547 hours remaining, 205.210938 MB of memory in use. ENERGY: 607400 768.9458 2056.9732 1950.8606 126.7410 -205868.0065 17612.2309 0.0000 0.0000 34081.9156 -149270.3395 297.6458 -183352.2551 -149173.2835 298.8257 -111.2937 -80.0997 559243.0067 1.5998 1.6046 PRESSURE: 607600 120.809 -50.9034 -126.205 -50.9031 6.52652 -41.6316 -126.206 -41.632 24.8449 GPRESSURE: 607600 147.085 -26.8012 -48.5397 -81.9093 31.8213 -59.3478 -167.412 -72.1103 75.1898 PRESSAVG: 607600 9.39084 -49.1099 -1.46629 -49.1099 -9.99847 9.025 -1.46617 9.02499 -35.676 GPRESSAVG: 607600 10.2609 -47.4366 -1.42054 -50.7337 -10.6858 7.69753 -2.38509 7.5836 -35.3672 TIMING: 607600 CPU: 1799.33, 0.00296235/step Wall: 1799.33, 0.00296235/step, 3.61439 hours remaining, 205.210938 MB of memory in use. ENERGY: 607600 746.0204 2055.4031 1957.5979 106.9487 -206318.0709 17891.0063 0.0000 0.0000 34236.1400 -149324.9545 298.9927 -183561.0946 -149224.1983 298.9040 50.7269 84.6986 558538.2948 -12.0945 -11.9307 PRESSURE: 607800 -4.20341 150.388 -105.283 150.387 -134.62 -114.744 -105.282 -114.744 246.071 GPRESSURE: 607800 33.9931 142.157 -151.975 167.328 -125.409 -112.162 40.3223 -140.432 287.983 PRESSAVG: 607800 83.3445 -49.1876 7.76798 -49.1877 -49.0437 -29.8825 7.768 -29.8826 -36.747 GPRESSAVG: 607800 82.3621 -48.7063 6.70696 -49.7035 -48.1172 -28.1833 7.86271 -32.6753 -37.2708 TIMING: 607800 CPU: 1799.91, 0.00292594/step Wall: 1799.91, 0.00292594/step, 3.5698 hours remaining, 205.210938 MB of memory in use. ENERGY: 607800 743.2900 2092.4225 1972.5037 110.7286 -206162.5967 17820.2079 0.0000 0.0000 34169.5864 -149253.8577 298.4115 -183423.4440 -149153.4327 298.6372 35.7493 65.5223 558526.2229 -0.8154 -1.0087 PRESSURE: 608000 244.663 111.767 5.14625 111.767 54.8314 28.1679 5.14741 28.1652 121.961 GPRESSURE: 608000 262.973 84.8471 24.6424 51.694 123.388 33.4294 -57.8645 20.5344 136.377 PRESSAVG: 608000 11.4065 32.6236 -38.3805 32.6237 -89.9748 4.29537 -38.3804 4.29543 63.7442 GPRESSAVG: 608000 10.5258 33.2453 -36.7845 32.0838 -88.0496 2.87996 -39.4101 6.52414 62.7597 TIMING: 608000 CPU: 1800.51, 0.00297235/step Wall: 1800.51, 0.00297235/step, 3.62627 hours remaining, 205.210938 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: 608000 726.2527 2140.2752 1936.3728 108.2761 -206694.5467 18096.8648 0.0000 0.0000 34279.9561 -149406.5490 299.3754 -183686.5051 -149313.5645 298.9259 140.4852 174.2460 557483.3657 -4.9414 -4.9214 PRESSURE: 608200 -130.464 -95.5783 -54.0032 -95.5782 -257.871 -170.395 -54.0036 -170.395 67.343 GPRESSURE: 608200 -102.558 -127.362 -9.03823 -47.1664 -213.899 -128.167 -31.8311 -178.61 86.5945 PRESSAVG: 608200 23.863 -18.2584 38.0948 -18.2585 -90.5772 -27.1871 38.0949 -27.1871 76.9742 GPRESSAVG: 608200 24.1457 -19.2751 37.3069 -15.2767 -91.6574 -27.8436 38.461 -27.2095 77.4344 TIMING: 608200 CPU: 1801.1, 0.0029678/step Wall: 1801.1, 0.0029678/step, 3.62055 hours remaining, 205.210938 MB of memory in use. ENERGY: 608200 773.3331 2080.8000 1988.7065 110.7374 -206374.4211 17762.5984 0.0000 0.0000 34062.6969 -149595.5489 297.4780 -183658.2457 -149491.5276 298.3863 -106.9974 -76.6211 556367.6855 3.4200 3.3076 LDB: ============= START OF LOAD BALANCING ============== 1804.53 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1804.53 LDB: =============== DONE WITH MIGRATION ================ 1804.53 LDB: ============= START OF LOAD BALANCING ============== 1804.83 LDB: Largest compute 4820 load 0.030766 is 26.1% of average load 0.117882 LDB: Average compute 0.001711 is 1.5% of average load 0.117882 LDB: TIME 1804.83 LOAD: AVG 0.117882 MAX 0.199033 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.016 MB LDB: TIME 1804.83 LOAD: AVG 0.117882 MAX 0.199033 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: TIME 1804.83 LOAD: AVG 0.117882 MAX 0.199033 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.02 MB LDB: ============== END OF LOAD BALANCING =============== 1804.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1804.84 PRESSURE: 608400 -91.4461 -83.8162 12.8744 -83.8169 70.7983 65.5231 12.8737 65.5246 -41.745 GPRESSURE: 608400 -39.1432 -133.631 -54.4277 -141.703 107.503 184.946 85.9886 16.3868 -28.9252 PRESSAVG: 608400 56.6747 4.97007 4.69854 4.97004 -67.4552 -36.9449 4.69852 -36.945 -16.3922 GPRESSAVG: 608400 56.5874 4.89043 6.45354 1.80109 -67.6929 -35.167 1.40285 -37.3314 -15.7619 TIMING: 608400 CPU: 1801.71, 0.00304533/step Wall: 1801.71, 0.00304533/step, 3.71496 hours remaining, 205.410156 MB of memory in use. ENERGY: 608400 726.4279 2065.8348 1949.8020 118.7161 -206411.6344 17827.9664 0.0000 0.0000 34078.0274 -149644.8597 297.6119 -183722.8871 -149548.8681 297.9619 -20.7976 13.1450 557106.5896 -9.0576 -8.9558 PRESSURE: 608600 -147.137 15.6014 -31.4944 15.6018 109.937 20.9124 -31.4938 20.913 81.9889 GPRESSURE: 608600 -86.3713 83.2203 32.8966 7.62201 124.43 8.43308 -122.205 26.5084 103.153 PRESSAVG: 608600 11.7787 -28.3653 -16.7788 -28.3654 -27.1633 -43.8153 -16.7787 -43.8152 53.4369 GPRESSAVG: 608600 12.5937 -26.6009 -18.8318 -27.8472 -27.93 -44.7226 -13.6825 -42.7783 53.4002 TIMING: 608600 CPU: 1802.3, 0.0029565/step Wall: 1802.3, 0.0029565/step, 3.60644 hours remaining, 205.410156 MB of memory in use. ENERGY: 608600 728.6981 2092.5973 1974.0743 119.3295 -206349.1168 17896.3382 0.0000 0.0000 34062.4642 -149475.6151 297.4760 -183538.0793 -149377.7089 297.7754 14.9294 47.0705 558028.4105 12.6841 12.6880 PRESSURE: 608800 -213.99 -13.5709 -22.2448 -13.5713 -41.9995 -75.5216 -22.246 -75.5196 -400.263 GPRESSURE: 608800 -186.805 95.658 4.52486 -141.156 -3.33935 -212.814 -39.7863 -32.1468 -371.585 PRESSAVG: 608800 44.6199 -14.8297 -57.1864 -14.8297 -36.5217 23.6501 -57.1864 23.6501 -23.1709 GPRESSAVG: 608800 44.7448 -16.2402 -56.5322 -14.3494 -36.5173 23.3769 -58.0662 23.4568 -23.5073 TIMING: 608800 CPU: 1802.89, 0.00295289/step Wall: 1802.89, 0.00295289/step, 3.60187 hours remaining, 205.410156 MB of memory in use. ENERGY: 608800 754.8515 2120.0916 1965.6591 112.9851 -206065.9913 17597.1647 0.0000 0.0000 34144.0841 -149371.1553 298.1888 -183515.2393 -149270.9778 298.7471 -218.7508 -187.2433 557770.5655 -5.0242 -5.0933 PRESSURE: 609000 -156.707 -39.5111 66.9094 -39.51 44.3422 -244.976 66.9069 -244.976 -251.251 GPRESSURE: 609000 -148.84 -51.7403 102.302 17.993 99.579 -240.679 63.0057 -127.289 -204.428 PRESSAVG: 609000 -57.2538 33.3881 0.975067 33.3882 90.5537 34.7148 0.975006 34.7148 -49.4319 GPRESSAVG: 609000 -57.8268 33.5193 -0.0627872 32.9525 90.0276 35.3037 3.05976 33.4018 -48.4091 TIMING: 609000 CPU: 1803.48, 0.00294413/step Wall: 1803.48, 0.00294413/step, 3.59102 hours remaining, 205.410156 MB of memory in use. ENERGY: 609000 742.9193 2046.7589 1950.0279 106.6064 -206123.0164 17596.0236 0.0000 0.0000 34217.9498 -149462.7306 298.8339 -183680.6804 -149370.0244 298.5756 -121.2051 -84.5630 556515.4279 -5.3773 -5.4028 PRESSURE: 609200 -269.651 -13.863 -67.1915 -13.8619 -255.613 -143.943 -67.1918 -143.942 -54.9628 GPRESSURE: 609200 -247.456 14.8118 -40.5416 53.8344 -164.422 -107.301 -70.1644 -246.291 -79.6346 PRESSAVG: 609200 37.5597 24.6291 -48.2865 24.6292 -11.3344 5.88411 -48.2865 5.88394 0.940646 GPRESSAVG: 609200 36.1891 23.2527 -47.4479 24.6977 -9.92774 5.19561 -50.0093 6.65017 0.43919 TIMING: 609200 CPU: 1804.07, 0.00293502/step Wall: 1804.07, 0.00293502/step, 3.57974 hours remaining, 205.410156 MB of memory in use. ENERGY: 609200 748.9372 2108.5475 1970.3637 107.5860 -206350.9940 17784.9642 0.0000 0.0000 34156.8621 -149473.7335 298.3004 -183630.5955 -149377.8192 298.8285 -193.4089 -163.8374 557382.7031 9.0553 8.9002 PRESSURE: 609400 -142.885 16.5894 29.2692 16.5887 -98.8093 -1.73769 29.2696 -1.73549 46.4651 GPRESSURE: 609400 -154.04 117.659 50.1979 -147.195 -17.3089 16.9793 98.3856 -0.493652 67.7052 PRESSAVG: 609400 3.00421 11.2589 -34.4011 11.2589 -10.0613 -4.38718 -34.4012 -4.38716 -6.95256 GPRESSAVG: 609400 3.25626 12.225 -35.1213 12.4063 -11.484 -4.52609 -33.5112 -3.82974 -6.04555 TIMING: 609400 CPU: 1804.66, 0.00296336/step Wall: 1804.66, 0.00296336/step, 3.61415 hours remaining, 205.410156 MB of memory in use. ENERGY: 609400 767.9867 2092.3240 1979.7440 110.2080 -206584.2241 17941.9311 0.0000 0.0000 34335.7071 -149356.3231 299.8623 -183692.0301 -149258.9295 298.3943 -65.0764 -34.5478 557346.8092 -4.6699 -4.7577 PRESSURE: 609600 132.087 -51.6535 36.0432 -51.6536 14.507 26.8677 36.0435 26.8674 -274.951 GPRESSURE: 609600 138.968 79.0828 2.8536 -118.145 75.9059 8.80663 69.2374 14.1218 -234.694 PRESSAVG: 609600 -12.4771 34.1447 0.510258 34.1447 75.0873 -58.8642 0.510163 -58.8643 -36.9042 GPRESSAVG: 609600 -12.0612 32.7913 0.624025 34.92 75.6839 -61.0619 -0.0986734 -58.2814 -37.9251 TIMING: 609600 CPU: 1805.26, 0.00297433/step Wall: 1805.26, 0.00297433/step, 3.62736 hours remaining, 205.410156 MB of memory in use. ENERGY: 609600 710.4635 2111.7397 1933.6666 125.1725 -206122.3946 17842.5952 0.0000 0.0000 34185.9214 -149212.8357 298.5542 -183398.7571 -149120.3861 299.0004 -42.7856 -6.6068 557586.7113 8.5687 8.5659 PRESSURE: 609800 169.115 0.549471 82.382 0.549732 34.7212 -89.1902 82.3821 -89.1904 232.503 GPRESSURE: 609800 143.138 15.4978 62.2769 -9.35823 157.801 -105.674 42.6843 -77.8773 234.341 PRESSAVG: 609800 -44.2444 -36.5501 -57.1083 -36.55 34.2095 -6.40264 -57.1082 -6.40259 25.2409 GPRESSAVG: 609800 -43.8776 -35.3591 -55.5264 -38.8818 34.3786 -4.99498 -58.6912 -6.50738 24.6097 TIMING: 609800 CPU: 1805.84, 0.00293475/step Wall: 1805.84, 0.00293475/step, 3.57893 hours remaining, 205.410156 MB of memory in use. ENERGY: 609800 734.5546 2113.5679 1969.9343 108.3926 -206425.6118 18021.2351 0.0000 0.0000 34261.6266 -149216.3008 299.2153 -183477.9273 -149121.3910 299.7533 145.4465 178.4267 557707.3433 5.0687 5.0369 PRESSURE: 610000 -24.9632 -210.254 55.196 -210.252 -196.927 26.1565 55.1961 26.1564 -94.2673 GPRESSURE: 610000 9.21309 -191.736 15.4973 -169.391 -139.633 78.3106 -8.66232 70.3622 -91.3267 PRESSAVG: 610000 -3.33116 -25.1551 45.063 -25.1551 72.1393 6.17284 45.063 6.17274 -63.207 GPRESSAVG: 610000 -3.37347 -22.7041 43.6445 -23.073 72.5865 6.35861 44.8818 4.55202 -63.4396 TIMING: 610000 CPU: 1806.43, 0.00295525/step Wall: 1806.43, 0.00295525/step, 3.60377 hours remaining, 205.410156 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: 610000 728.4563 2096.3216 1973.6589 108.9735 -205879.9280 17534.2957 0.0000 0.0000 34146.6600 -149291.5621 298.2113 -183438.2221 -149189.7282 299.1663 -105.3859 -73.9157 558300.2339 1.8670 1.9245 PRESSURE: 610200 123.002 4.75587 118.054 4.75474 -8.45321 54.7574 118.054 54.7576 167.855 GPRESSURE: 610200 193.129 27.0858 69.8302 5.27662 -9.90222 -23.1031 216.975 120.761 180.597 PRESSAVG: 610200 33.2187 20.1709 -19.4955 20.1707 -41.3063 2.71501 -19.4956 2.7151 -27.917 GPRESSAVG: 610200 33.9321 18.995 -21.0788 21.2665 -42.4104 2.07967 -18.2105 3.14738 -27.269 TIMING: 610200 CPU: 1807.02, 0.00295053/step Wall: 1807.02, 0.00295053/step, 3.59784 hours remaining, 205.410156 MB of memory in use. ENERGY: 610200 775.8744 2082.1315 1954.1646 117.4277 -206287.4306 18013.7883 0.0000 0.0000 34167.1424 -149176.9017 298.3902 -183344.0441 -149087.3000 299.1550 94.1348 121.2747 556586.1246 -12.0016 -11.9158 PRESSURE: 610400 -282.738 254.952 75.2019 254.953 -306.564 123.634 75.2018 123.634 -138.46 GPRESSURE: 610400 -245.297 154.214 51.0477 249.777 -274.85 148.483 70.4747 7.48267 -108.912 PRESSAVG: 610400 42.2815 26.4796 33.296 26.4797 -39.8765 20.3744 33.2959 20.3744 -8.36396 GPRESSAVG: 610400 43.1999 28.5816 37.2662 23.9819 -39.4794 20.8589 33.3496 21.1574 -10.0455 TIMING: 610400 CPU: 1807.62, 0.00296443/step Wall: 1807.62, 0.00296443/step, 3.61463 hours remaining, 205.410156 MB of memory in use. ENERGY: 610400 768.7433 2085.5560 1978.6235 119.5551 -205952.2382 17467.6122 0.0000 0.0000 34257.6044 -149274.5437 299.1802 -183532.1481 -149177.7601 299.4057 -242.5870 -209.6864 557562.0307 -1.9863 -2.1083 PRESSURE: 610600 -2.65676 -67.3484 -11.2175 -67.3494 -15.6802 34.5825 -11.2168 34.5817 -6.17507 GPRESSURE: 610600 49.8985 -67.6922 -37.8937 -17.5411 -11.3982 -6.91448 -65.7154 27.1503 38.5937 PRESSAVG: 610600 57.8717 -31.469 17.7904 -31.469 14.0415 44.7904 17.7905 44.7903 -41.6568 GPRESSAVG: 610600 56.8169 -32.5952 17.7873 -29.3526 13.7839 44.2949 14.7973 44.3676 -39.8585 TIMING: 610600 CPU: 1808.21, 0.00296516/step Wall: 1808.21, 0.00296516/step, 3.61536 hours remaining, 205.410156 MB of memory in use. ENERGY: 610600 710.0473 2108.3391 1954.7619 107.1526 -205951.5250 17711.9396 0.0000 0.0000 34162.9486 -149196.3359 298.3535 -183359.2845 -149092.5568 299.4987 -8.1707 25.6980 557659.3031 10.0855 10.2474 PRESSURE: 610800 -91.9401 -3.58864 -39.433 -3.58794 -68.3013 8.06255 -39.4332 8.06484 -2.09806 GPRESSURE: 610800 -66.9031 19.5872 -67.8188 -29.4924 9.8841 -0.00944735 -34.6826 -48.4381 0.639234 PRESSAVG: 610800 -21.0503 43.4002 9.1565 43.4002 -10.6213 -17.8533 9.15651 -17.8532 31.893 GPRESSAVG: 610800 -20.6402 42.0052 6.48313 43.2649 -9.8482 -17.7256 12.4471 -18.5294 31.1047 TIMING: 610800 CPU: 1808.8, 0.00295576/step Wall: 1808.8, 0.00295576/step, 3.60373 hours remaining, 205.410156 MB of memory in use. ENERGY: 610800 769.6085 2061.2947 1992.9492 110.7202 -206341.4711 17810.7741 0.0000 0.0000 34342.6353 -149253.4891 299.9228 -183596.1244 -149156.5257 299.1769 -54.1132 -18.7933 557533.0111 0.0738 0.2054 PRESSURE: 611000 109.356 -125.657 -107.925 -125.656 -297.731 -85.1568 -107.924 -85.1555 -65.5034 GPRESSURE: 611000 97.369 -147.073 -98.2138 -20.0307 -198.311 -53.3617 -43.6499 -136.464 -64.3725 PRESSAVG: 611000 47.881 -13.818 -20.139 -13.818 7.3016 -2.59368 -20.139 -2.59367 9.01121 GPRESSAVG: 611000 47.2909 -13.4846 -19.5715 -14.0136 7.60364 -2.14201 -20.8884 -0.026758 9.55898 TIMING: 611000 CPU: 1809.4, 0.00297759/step Wall: 1809.4, 0.00297759/step, 3.63018 hours remaining, 205.410156 MB of memory in use. ENERGY: 611000 762.3383 2059.4308 1963.5725 121.3278 -206048.9366 17630.7208 0.0000 0.0000 34147.2915 -149364.2548 298.2168 -183511.5464 -149268.5458 298.6479 -84.6260 -55.1047 557956.7102 21.3979 21.4845 PRESSURE: 611200 -246.321 12.6451 -149.425 12.6453 -417.041 165.761 -149.425 165.762 -105.768 GPRESSURE: 611200 -256.396 17.5397 -193.004 -40.0247 -348.165 169.603 -149.465 180.836 -70.295 PRESSAVG: 611200 13.3087 41.6134 -5.68043 41.6132 -3.83158 23.5342 -5.68032 23.5342 26.1219 GPRESSAVG: 611200 14.469 42.1641 -6.28953 41.2278 -4.20169 21.9607 -6.93138 22.6153 25.8115 TIMING: 611200 CPU: 1809.98, 0.00294381/step Wall: 1809.98, 0.00294381/step, 3.58883 hours remaining, 205.410156 MB of memory in use. ENERGY: 611200 711.5646 2171.2086 1980.8179 118.5630 -206058.8206 17655.8290 0.0000 0.0000 34118.9906 -149301.8471 297.9696 -183420.8376 -149203.2534 298.3743 -256.3766 -224.9520 559950.3575 11.8663 12.0263 PRESSURE: 611400 102.348 -23.6874 -32.6504 -23.6866 -86.8754 57.7125 -32.6512 57.7135 -75.545 GPRESSURE: 611400 115.705 -100.729 -102.676 -60.254 -59.8576 18.8458 -9.81341 81.5771 -21.2884 PRESSAVG: 611400 11.6376 16.7831 -6.90863 16.7832 -58.3653 11.6961 -6.90855 11.6962 43.78 GPRESSAVG: 611400 11.5012 15.6568 -8.14221 17.3163 -58.4163 11.446 -6.66207 12.1461 43.9866 TIMING: 611400 CPU: 1810.58, 0.0029634/step Wall: 1810.58, 0.0029634/step, 3.61255 hours remaining, 205.410156 MB of memory in use. ENERGY: 611400 709.6068 2165.6103 1953.9613 115.2865 -206047.4054 17689.1541 0.0000 0.0000 34251.7240 -149162.0623 299.1288 -183413.7863 -149064.0130 299.1586 -20.0242 11.5197 555928.0626 -0.9826 -0.9762 PRESSURE: 611600 6.86745 -40.2934 -205.864 -40.2932 -179.63 -85.5299 -205.865 -85.5304 -31.4959 GPRESSURE: 611600 26.4439 5.47876 -210.356 -51.0401 -147.822 -38.6512 -201.87 -151.5 24.2843 PRESSAVG: 611600 65.2303 11.702 -27.554 11.702 -16.7305 7.98299 -27.554 7.98297 -26.8975 GPRESSAVG: 611600 64.8947 11.1948 -27.2147 11.0334 -17.83 11.0213 -26.8256 5.00945 -26.5024 TIMING: 611600 CPU: 1811.17, 0.00296139/step Wall: 1811.17, 0.00296139/step, 3.60993 hours remaining, 205.410156 MB of memory in use. ENERGY: 611600 751.0335 2059.1183 1968.3270 115.2783 -205935.4843 17709.4860 0.0000 0.0000 34369.1979 -148963.0433 300.1548 -183332.2412 -148857.9705 299.3368 -68.0862 -32.3647 557718.7720 7.2007 6.8541 PRESSURE: 611800 -39.3221 -62.5803 -90.2924 -62.578 81.0402 -10.502 -90.293 -10.5014 -184.466 GPRESSURE: 611800 -6.87191 -12.8582 -96.7876 -17.9491 142.527 -33.0435 -41.688 66.7327 -182.793 PRESSAVG: 611800 33.0264 52.4949 -6.29062 52.4949 14.6412 -32.4472 -6.29062 -32.4471 -57.5396 GPRESSAVG: 611800 33.5357 54.6237 -7.20075 51.8934 14.5663 -34.6439 -5.12878 -30.189 -57.8334 TIMING: 611800 CPU: 1811.76, 0.00293872/step Wall: 1811.76, 0.00293872/step, 3.58213 hours remaining, 205.410156 MB of memory in use. ENERGY: 611800 787.2527 2094.6788 1984.2978 106.8132 -206186.1279 17837.7510 0.0000 0.0000 34324.4645 -149050.8700 299.7641 -183375.3344 -148954.7743 299.3798 -47.5828 -15.7127 556472.7097 -3.2907 -3.2438 PRESSURE: 612000 -89.5446 44.4584 -9.2479 44.4588 -19.8908 81.0328 -9.24759 81.0322 -390.675 GPRESSURE: 612000 -47.7678 12.2081 3.68339 78.47 -17.949 57.6001 4.84791 47.2258 -335.933 PRESSAVG: 612000 -10.8843 6.75322 -7.80687 6.75321 31.9883 -20.2106 -7.80678 -20.2106 12.7545 GPRESSAVG: 612000 -10.4378 5.27149 -8.88528 8.27365 33.3103 -20.0804 -8.71164 -20.5161 11.0715 TIMING: 612000 CPU: 1812.35, 0.00294098/step Wall: 1812.35, 0.00294098/step, 3.58473 hours remaining, 205.410156 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: 612000 730.9341 2144.8993 2003.6324 116.6937 -206206.4442 17617.6254 0.0000 0.0000 34492.8716 -149099.7876 301.2348 -183592.6592 -149006.1181 299.7707 -166.7033 -133.8834 557623.6394 11.2862 11.3147 PRESSURE: 612200 -99.8872 62.6731 -120.468 62.6735 -5.99364 -188.271 -120.469 -188.271 86.1432 GPRESSURE: 612200 -61.3901 183.3 -74.7271 -54.3265 4.33651 -99.4407 -159.032 -264.455 117.397 PRESSAVG: 612200 6.94812 50.9596 -4.02703 50.9596 8.59859 -26.804 -4.02697 -26.804 -8.01178 GPRESSAVG: 612200 5.92944 51.5287 -2.07764 49.8041 8.98576 -28.5258 -5.06372 -24.888 -6.92036 TIMING: 612200 CPU: 1812.94, 0.00294776/step Wall: 1812.94, 0.00294776/step, 3.59283 hours remaining, 205.410156 MB of memory in use. ENERGY: 612200 778.4383 2111.3572 1989.7078 112.3108 -206205.6725 17804.2521 0.0000 0.0000 34282.4212 -149127.1850 299.3969 -183409.6062 -149031.1054 300.0605 -6.5792 20.1144 556046.3728 2.5116 2.6649 LDB: ============= START OF LOAD BALANCING ============== 1816.36 LDB: ============== END OF LOAD BALANCING =============== 1816.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1816.36 LDB: ============= START OF LOAD BALANCING ============== 1816.66 LDB: Largest compute 4820 load 0.030385 is 25.8% of average load 0.117895 LDB: Average compute 0.001714 is 1.5% of average load 0.117895 LDB: TIME 1816.66 LOAD: AVG 0.117895 MAX 0.198496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.691 MB LDB: TIME 1816.66 LOAD: AVG 0.117895 MAX 0.198496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.691 MB LDB: TIME 1816.66 LOAD: AVG 0.117895 MAX 0.198496 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.691 MB LDB: ============== END OF LOAD BALANCING =============== 1816.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1816.67 PRESSURE: 612400 -241.641 46.4095 84.0683 46.4079 231.769 -93.5039 84.0675 -93.5039 240.415 GPRESSURE: 612400 -179.383 107.89 63.5228 -1.86096 212.049 -51.4422 91.9586 -164.41 297.475 PRESSAVG: 612400 -8.16945 67.1551 -37.3896 67.155 60.5255 -27.9125 -37.3896 -27.9126 -55.0868 GPRESSAVG: 612400 -8.34562 69.161 -36.0326 67.018 60.1235 -26.0264 -37.318 -29.5271 -55.0122 TIMING: 612400 CPU: 1813.54, 0.00301038/step Wall: 1813.54, 0.00301038/step, 3.66898 hours remaining, 205.722656 MB of memory in use. ENERGY: 612400 775.8046 2116.3533 1944.9756 116.6637 -206458.5397 17893.2566 0.0000 0.0000 34433.4317 -149178.0543 300.7157 -183611.4859 -149075.5673 299.6423 76.8474 110.0469 556114.9081 -0.9103 -1.0781 PRESSURE: 612600 323.924 35.7834 -207.991 35.7833 -139.739 63.5428 -207.991 63.5417 2.5824 GPRESSURE: 612600 320.512 73.743 -142.999 11.2834 -35.1168 59.8297 -120.68 58.0403 -2.58902 PRESSAVG: 612600 50.8541 19.8358 16.1424 19.8358 -31.769 -2.06359 16.1424 -2.06357 -4.67393 GPRESSAVG: 612600 50.3948 17.3597 15.4562 21.3141 -31.9184 1.24012 16.0337 -4.47713 -4.15977 TIMING: 612600 CPU: 1814.13, 0.0029557/step Wall: 1814.13, 0.0029557/step, 3.60218 hours remaining, 205.722656 MB of memory in use. ENERGY: 612600 733.9126 2128.4974 1985.4273 128.8809 -206702.6618 18137.6200 0.0000 0.0000 34267.9079 -149320.4156 299.2702 -183588.3236 -149227.3412 299.0395 62.2558 94.2687 557693.0217 4.8037 4.7722 PRESSURE: 612800 121.281 -48.9644 -55.5701 -48.9649 -191.541 40.3073 -55.57 40.3078 -3.84414 GPRESSURE: 612800 171.121 -130.677 -44.0501 2.35168 -190.148 46.882 -92.8581 -97.9969 31.9963 PRESSAVG: 612800 56.8944 51.1111 -43.3454 51.1112 -17.3364 23.4346 -43.3454 23.4346 -41.8012 GPRESSAVG: 612800 57.0554 50.6493 -42.9365 50.1893 -17.316 22.7158 -42.2509 22.5622 -42.4272 TIMING: 612800 CPU: 1814.72, 0.00294598/step Wall: 1814.72, 0.00294597/step, 3.59016 hours remaining, 205.722656 MB of memory in use. ENERGY: 612800 741.9805 2162.3429 1964.3299 103.6393 -206630.3515 17911.8692 0.0000 0.0000 34425.6245 -149320.5651 300.6475 -183746.1896 -149221.6999 299.2583 -24.7013 4.3231 557844.6029 -0.7477 -0.8959 PRESSURE: 613000 -9.17345 19.8061 -151.244 19.8065 131.963 124.882 -151.245 124.883 -267.851 GPRESSURE: 613000 46.3336 62.1727 -199.932 -18.2995 105.38 68.6423 -85.343 170.571 -199.724 PRESSAVG: 613000 28.4074 15.9279 -21.8143 15.928 27.0437 9.48757 -21.8143 9.48756 -4.53869 GPRESSAVG: 613000 28.5801 16.9631 -24.8276 15.5319 27.647 8.06055 -21.8254 11.2795 -5.80888 TIMING: 613000 CPU: 1815.31, 0.00295188/step Wall: 1815.31, 0.00295188/step, 3.59719 hours remaining, 205.722656 MB of memory in use. ENERGY: 613000 780.5543 2128.3699 1986.0751 109.3189 -206571.4739 17872.0931 0.0000 0.0000 34333.0710 -149361.9915 299.8392 -183695.0625 -149266.6488 299.2086 -48.3538 -16.0036 557295.8380 16.9708 16.8061 PRESSURE: 613200 -387.458 19.3681 64.1933 19.3684 141.554 -8.0792 64.1932 -8.07911 -310.854 GPRESSURE: 613200 -335.792 132.285 92.0323 27.0279 85.1804 -2.52005 -2.87614 39.9469 -207.448 PRESSAVG: 613200 42.5934 -13.3511 2.43492 -13.3511 13.2157 -6.69964 2.43509 -6.69948 -10.1265 GPRESSAVG: 613200 41.6979 -13.3287 4.98556 -13.0347 11.6258 -7.27466 1.30489 -6.38441 -7.617 TIMING: 613200 CPU: 1815.9, 0.00295741/step Wall: 1815.9, 0.00295741/step, 3.60377 hours remaining, 205.722656 MB of memory in use. ENERGY: 613200 756.9543 2141.9676 1987.8358 115.4000 -205926.7780 17512.7601 0.0000 0.0000 34071.0747 -149340.7854 297.5512 -183411.8602 -149245.2774 298.8036 -185.5858 -152.6866 558173.0341 15.2275 15.2355 PRESSURE: 613400 7.1938 144.514 82.1834 144.514 308.739 6.15816 82.1845 6.15755 154.632 GPRESSURE: 613400 111.582 42.0076 127.603 223.454 334.183 79.3159 137.012 -42.0379 112.383 PRESSAVG: 613400 -98.4147 -13.6606 17.1416 -13.6604 58.116 80.9221 17.1416 80.922 16.1526 GPRESSAVG: 613400 -97.4904 -15.2227 16.6124 -10.6119 58.472 82.2701 17.6743 79.2656 15.4448 TIMING: 613400 CPU: 1816.49, 0.00296578/step Wall: 1816.49, 0.00296578/step, 3.6138 hours remaining, 205.722656 MB of memory in use. ENERGY: 613400 732.4639 2132.6665 1955.7161 112.8059 -206431.8183 17934.1864 0.0000 0.0000 34185.0276 -149378.9519 298.5463 -183563.9795 -149288.7219 298.8709 156.8552 186.0492 556921.4509 -8.0487 -7.8579 PRESSURE: 613600 -246.635 -2.03704 121.948 -2.03586 62.1279 -20.7499 121.947 -20.7507 -166.531 GPRESSURE: 613600 -207.979 57.9292 49.6511 -69.21 74.8358 54.6141 125.567 -66.1999 -126.572 PRESSAVG: 613600 -32.0708 -29.5429 -22.3337 -29.543 56.3552 14.6755 -22.3337 14.6754 -19.6272 GPRESSAVG: 613600 -31.5196 -29.1379 -20.7563 -32.9665 57.0753 15.1294 -24.0315 16.6512 -20.2427 TIMING: 613600 CPU: 1817.08, 0.0029506/step Wall: 1817.08, 0.0029506/step, 3.59514 hours remaining, 205.722656 MB of memory in use. ENERGY: 613600 773.8168 2048.4618 1934.4331 117.8922 -206482.4699 17758.2285 0.0000 0.0000 34408.8456 -149440.7918 300.5010 -183849.6374 -149345.9527 298.4967 -117.0127 -86.5716 556831.1974 1.5524 1.7710 PRESSURE: 613800 -69.8695 24.8487 -23.246 24.8484 360.515 -66.644 -23.2468 -66.6443 -247.573 GPRESSURE: 613800 -5.16904 -32.616 44.7273 57.8281 389.304 -88.237 -16.3326 -40.5278 -250.99 PRESSAVG: 613800 10.5839 -19.8016 -11.8828 -19.8017 41.8308 -2.86989 -11.8828 -2.86993 -47.702 GPRESSAVG: 613800 10.8207 -20.0691 -13.1633 -19.3476 42.2553 -3.55423 -10.8362 -4.16783 -48.0585 TIMING: 613800 CPU: 1817.68, 0.0029729/step Wall: 1817.68, 0.0029729/step, 3.62215 hours remaining, 205.722656 MB of memory in use. ENERGY: 613800 730.1415 2103.4438 1932.8266 112.5561 -206468.6368 18045.2097 0.0000 0.0000 34283.7002 -149260.7589 299.4081 -183544.4591 -149161.8531 298.9984 14.3573 44.3813 558280.3019 1.5709 1.6725 PRESSURE: 614000 74.8548 112.809 183.007 112.809 -73.8078 -19.65 183.008 -19.6511 -60.212 GPRESSURE: 614000 103.217 99.3891 117.312 84.4216 -19.0977 39.4442 244.685 -115.414 -46.1881 PRESSAVG: 614000 -1.04618 13.1701 -19.6012 13.17 16.3989 -63.6241 -19.6013 -63.6241 -4.74617 GPRESSAVG: 614000 -1.52108 14.04 -20.3868 12.7958 18.0079 -64.8078 -19.211 -62.3709 -6.67805 TIMING: 614000 CPU: 1818.27, 0.00298182/step Wall: 1818.27, 0.00298182/step, 3.63285 hours remaining, 205.722656 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: 614000 760.8504 2111.7942 1980.1499 117.0175 -206102.4290 17782.9712 0.0000 0.0000 34106.4634 -149243.1825 297.8602 -183349.6460 -149149.5383 299.0736 -19.7217 12.6437 558266.2385 3.5355 3.2696 PRESSURE: 614200 207.069 -92.0334 -35.1826 -92.0338 122.035 -55.7981 -35.1836 -55.7965 451.567 GPRESSURE: 614200 211.968 -50.897 -96.5 -98.9491 179.806 -11.0588 -30.3462 -168.599 478.74 PRESSAVG: 614200 -91.1736 15.3193 -33.7221 15.3193 -39.2314 -12.535 -33.722 -12.5351 77.8856 GPRESSAVG: 614200 -91.1256 16.1539 -35.6044 14.5274 -41.0332 -9.85329 -33.0697 -13.9772 79.6704 TIMING: 614200 CPU: 1818.87, 0.0029805/step Wall: 1818.87, 0.0029805/step, 3.63107 hours remaining, 205.722656 MB of memory in use. ENERGY: 614200 729.0811 2120.7636 1925.2171 110.5010 -206555.0452 18189.9521 0.0000 0.0000 34216.9838 -149262.5464 298.8254 -183479.5303 -149157.8217 299.3681 260.2235 290.1717 556529.0672 -17.5065 -17.4961 PRESSURE: 614400 -123.05 -14.6542 -8.03716 -14.6544 -25.0912 46.8238 -8.03685 46.826 13.4078 GPRESSURE: 614400 -46.6199 25.6239 53.3267 52.2481 -20.737 18.9512 -12.6755 84.6096 23.9678 PRESSAVG: 614400 -56.7328 -36.3067 -28.8658 -36.3067 10.9376 -58.0908 -28.8657 -58.0909 57.5034 GPRESSAVG: 614400 -56.6367 -36.5912 -25.3057 -36.3908 12.0586 -59.2757 -32.0616 -58.4645 56.5842 TIMING: 614400 CPU: 1819.46, 0.00295475/step Wall: 1819.46, 0.00295475/step, 3.59954 hours remaining, 205.722656 MB of memory in use. ENERGY: 614400 748.0670 2098.6029 1955.3778 114.8640 -206074.6076 17856.6631 0.0000 0.0000 34132.0868 -149168.9459 298.0840 -183301.0327 -149069.2263 298.9369 -44.9111 -14.4630 559011.5523 3.9027 4.0020 PRESSURE: 614600 13.4077 -202.245 139.738 -202.245 -37.9664 51.873 139.738 51.8726 87.3513 GPRESSURE: 614600 48.7986 -117.888 179.754 -207.948 3.36304 23.6615 148.24 43.6114 111.019 PRESSAVG: 614600 -21.3807 -26.266 20.569 -26.2661 -74.6803 6.66841 20.569 6.66836 52.536 GPRESSAVG: 614600 -21.3469 -27.3085 20.3201 -24.0212 -76.1405 6.64558 22.6695 7.35096 53.5224 TIMING: 614600 CPU: 1820.05, 0.00295529/step Wall: 1820.05, 0.00295529/step, 3.60004 hours remaining, 205.722656 MB of memory in use. ENERGY: 614600 741.7743 2117.1527 1955.2360 119.7595 -206154.2212 17920.1078 0.0000 0.0000 34115.7075 -149184.4835 297.9410 -183300.1910 -149091.6765 298.8951 20.9309 54.3934 558543.2365 -14.5083 -14.6550 PRESSURE: 614800 -98.9081 -197.521 -1.51313 -197.52 29.8933 96.2916 -1.51307 96.2912 0.608883 GPRESSURE: 614800 -36.8976 -133.191 -8.17619 -259.971 8.59321 118.861 -9.35914 66.6562 46.1752 PRESSAVG: 614800 -30.8943 -37.8039 18.279 -37.8039 37.4053 48.6996 18.279 48.6997 12.8784 GPRESSAVG: 614800 -30.8396 -38.9677 18.0226 -37.0168 38.4707 47.7138 17.8277 49.9826 12.3851 TIMING: 614800 CPU: 1820.64, 0.00296103/step Wall: 1820.64, 0.00296103/step, 3.60687 hours remaining, 205.722656 MB of memory in use. ENERGY: 614800 762.7673 2088.3968 1962.7286 106.3161 -205912.8761 17763.5971 0.0000 0.0000 34159.8022 -149069.2681 298.3260 -183229.0703 -148973.4749 299.0966 -22.8020 5.9569 558964.2230 6.4631 6.6721 PRESSURE: 615000 -398.046 100.17 -37.9902 100.169 -224.267 -27.0975 -37.9916 -27.0977 -519.999 GPRESSURE: 615000 -423.979 128.108 -17.6286 25.9457 -159.39 38.8357 -41.4699 -89.6454 -474.714 PRESSAVG: 615000 -0.271459 -1.1319 42.8384 -1.13189 -37.5989 -17.9568 42.8384 -17.9567 75.7841 GPRESSAVG: 615000 0.189584 2.72998 40.5964 -3.83077 -38.5919 -18.4438 44.7778 -18.5764 76.5066 TIMING: 615000 CPU: 1821.24, 0.002962/step Wall: 1821.24, 0.002962/step, 3.60788 hours remaining, 205.722656 MB of memory in use. ENERGY: 615000 786.8304 2148.5069 1954.6040 121.9499 -205758.7840 17292.2816 0.0000 0.0000 34523.0764 -148931.5348 301.4986 -183454.6112 -148840.8795 300.0004 -380.7708 -352.6946 559526.7308 12.6379 12.7014 PRESSURE: 615200 -110.39 122.399 90.8448 122.399 -167.11 -172.29 90.8453 -172.29 89.7849 GPRESSURE: 615200 -115.302 116.451 50.5468 179.198 -80.1821 -124.622 120.811 -177.816 119.01 PRESSAVG: 615200 11.8306 12.8189 29.3569 12.8189 9.96912 36.5247 29.3568 36.5247 -4.66426 GPRESSAVG: 615200 11.2907 10.4781 27.4999 14.2505 11.2528 37.7573 29.7514 36.2939 -5.90664 TIMING: 615200 CPU: 1821.83, 0.00295709/step Wall: 1821.83, 0.00295709/step, 3.60173 hours remaining, 205.722656 MB of memory in use. ENERGY: 615200 770.5937 2052.9282 1985.4926 113.0355 -206030.5808 17755.4773 0.0000 0.0000 34325.7824 -149027.2710 299.7756 -183353.0535 -148928.1812 300.1674 -62.5718 -25.4914 559527.0318 5.7118 5.5456 PRESSURE: 615400 -140.879 -28.2596 -52.7859 -28.2596 -108.861 -44.6568 -52.7852 -44.6563 -18.6813 GPRESSURE: 615400 -98.6905 38.6312 -25.7763 -80.5277 -87.3209 -28.191 -65.4354 -92.3091 20.7316 PRESSAVG: 615400 7.90313 29.8947 56.1342 29.8947 -102.787 -79.2807 56.1342 -79.2807 106.395 GPRESSAVG: 615400 8.37412 29.6134 58.7565 31.0309 -102.692 -78.8402 54.6893 -80.4448 106.188 TIMING: 615400 CPU: 1822.42, 0.002943/step Wall: 1822.42, 0.002943/step, 3.58441 hours remaining, 205.722656 MB of memory in use. ENERGY: 615400 749.5752 2084.0576 1968.7433 121.9634 -205919.3156 17758.4356 0.0000 0.0000 34438.4279 -148798.1127 300.7594 -183236.5405 -148702.8527 300.3030 -89.4737 -55.0933 559982.6552 3.8370 3.9565 PRESSURE: 615600 85.3149 -95.8751 69.8701 -95.875 -146.341 3.53822 69.8711 3.53787 -55.0553 GPRESSURE: 615600 122.724 -44.202 67.9613 -111.637 -85.4005 -24.548 45.2564 -44.8839 -49.0785 PRESSAVG: 615600 -32.8791 -51.231 -20.5279 -51.231 -9.47401 -36.4406 -20.5279 -36.4406 40.9278 GPRESSAVG: 615600 -32.8841 -50.8312 -20.6768 -52.73 -9.44741 -38.8917 -19.8304 -34.4876 41.2618 TIMING: 615600 CPU: 1823.01, 0.00297543/step Wall: 1823.01, 0.00297543/step, 3.62375 hours remaining, 205.722656 MB of memory in use. ENERGY: 615600 731.3102 2106.1257 1939.8332 121.7398 -205832.0784 17705.4586 0.0000 0.0000 34325.2482 -148902.3627 299.7709 -183227.6109 -148804.0230 300.5058 -38.6939 -3.9185 557767.8277 -0.4751 -0.3566 PRESSURE: 615800 -245.505 -96.6812 -188.549 -96.6816 154.747 -18.729 -188.55 -18.7289 184.725 GPRESSURE: 615800 -204.07 -142.371 -185.165 -34.4135 169.863 -0.473107 -231.303 -19.5839 232.409 PRESSAVG: 615800 75.2561 18.2452 -22.3699 18.2452 -4.8089 -7.94776 -22.37 -7.94787 -32.3301 GPRESSAVG: 615800 74.2969 16.0162 -23.6572 18.8602 -4.39867 -5.46406 -21.3529 -8.59929 -31.7099 TIMING: 615800 CPU: 1823.61, 0.00297569/step Wall: 1823.61, 0.00297569/step, 3.62389 hours remaining, 205.722656 MB of memory in use. ENERGY: 615800 743.4624 2143.0285 1955.6599 103.6650 -205863.2863 17736.6177 0.0000 0.0000 34528.7200 -148652.1330 301.5479 -183180.8529 -148566.3945 300.5561 31.3223 66.0671 557106.8549 12.7057 12.7294 PRESSURE: 616000 -172.05 -27.9419 46.9458 -27.9416 -106.011 -137.574 46.9457 -137.573 -19.5518 GPRESSURE: 616000 -144.281 1.06591 75.0415 11.0787 -67.1115 -176.053 107.343 -130.446 7.55467 PRESSAVG: 616000 48.3073 39.7882 -33.184 39.7881 35.0452 -9.84792 -33.184 -9.84798 -68.0153 GPRESSAVG: 616000 49.9522 39.7627 -31.475 40.2954 34.8711 -11.5226 -34.9468 -7.48642 -69.4846 TIMING: 616000 CPU: 1824.2, 0.00297997/step Wall: 1824.2, 0.00297997/step, 3.62894 hours remaining, 205.722656 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: 616000 757.5946 2108.9128 1962.9875 103.9940 -205714.5386 17631.4850 0.0000 0.0000 34301.0256 -148848.5391 299.5594 -183149.5646 -148751.9082 300.6117 -99.2040 -67.9460 556288.3846 5.1124 5.1129 PRESSURE: 616200 -279.904 -16.3222 7.83051 -16.3215 -227.533 31.6321 7.83099 31.633 -451.488 GPRESSURE: 616200 -266.907 -31.1808 119.29 -14.5593 -158.321 39.6922 -92.5215 49.0971 -446.634 PRESSAVG: 616200 36.7037 8.88781 -29.7683 8.88786 0.645563 -18.0716 -29.7683 -18.0715 -7.39109 GPRESSAVG: 616200 36.3021 10.2388 -29.9384 7.63403 0.483114 -15.1507 -31.0516 -21.5835 -7.1601 TIMING: 616200 CPU: 1824.8, 0.00296913/step Wall: 1824.8, 0.00296913/step, 3.61557 hours remaining, 205.722656 MB of memory in use. ENERGY: 616200 768.9633 2105.8170 1930.2975 121.0187 -205085.3253 17149.7778 0.0000 0.0000 34211.5113 -148797.9397 298.7776 -183009.4510 -148695.9543 300.4594 -319.6416 -290.6204 558590.5682 9.9861 9.8750 LDB: ============= START OF LOAD BALANCING ============== 1828.23 LDB: ============== END OF LOAD BALANCING =============== 1828.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1828.23 LDB: ============= START OF LOAD BALANCING ============== 1828.53 LDB: Largest compute 4820 load 0.029444 is 25.0% of average load 0.117952 LDB: Average compute 0.001714 is 1.5% of average load 0.117952 LDB: TIME 1828.53 LOAD: AVG 0.117952 MAX 0.199811 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.98 MB LDB: TIME 1828.53 LOAD: AVG 0.117952 MAX 0.199811 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.051 MB LDB: TIME 1828.53 LOAD: AVG 0.117952 MAX 0.199811 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1828.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1828.54 PRESSURE: 616400 -141.973 -54.2264 -164.454 -54.2263 25.7882 -107.742 -164.455 -107.742 -8.6473 GPRESSURE: 616400 -116.13 -96.935 -188 -32.4574 79.7833 -95.558 -25.3483 -92.1793 2.47471 PRESSAVG: 616400 -2.02713 30.6841 -23.9119 30.6842 2.56032 -35.4643 -23.912 -35.4643 -10.1588 GPRESSAVG: 616400 -2.19172 31.2322 -24.5508 30.8729 2.30286 -36.5828 -22.9015 -34.7589 -10.4939 TIMING: 616400 CPU: 1825.41, 0.00304722/step Wall: 1825.41, 0.00304722/step, 3.71049 hours remaining, 205.269531 MB of memory in use. ENERGY: 616400 766.0944 2060.8254 1939.4643 120.7178 -205747.8270 17660.4295 0.0000 0.0000 34333.9374 -148866.3582 299.8468 -183200.2956 -148769.0695 300.4913 -41.6108 -11.2907 558347.8978 -3.2085 -3.4609 PRESSURE: 616600 74.7274 92.7165 -196.064 92.7167 -22.5187 100.434 -196.062 100.435 34.574 GPRESSURE: 616600 138.234 120.643 -248.907 111.29 27.1362 86.5149 -99.6648 -5.90408 23.4952 PRESSAVG: 616600 -12.9379 -5.38924 -59.7678 -5.38916 -55.2062 2.86456 -59.7678 2.86456 42.5663 GPRESSAVG: 616600 -12.7439 -5.59524 -61.9408 -4.57685 -54.6488 1.71745 -57.9574 4.62837 41.922 TIMING: 616600 CPU: 1826, 0.00295732/step Wall: 1826, 0.00295732/step, 3.60086 hours remaining, 205.269531 MB of memory in use. ENERGY: 616600 747.8863 2104.2315 1947.7037 117.1552 -205843.0769 17758.8742 0.0000 0.0000 34412.0720 -148755.1539 300.5292 -183167.2259 -148663.4350 299.8984 28.9276 62.9551 557436.8061 -8.5259 -8.4903 PRESSURE: 616800 18.0723 -80.6188 -16.415 -80.6174 -183.964 122.383 -16.4167 122.384 -86.0673 GPRESSURE: 616800 109.141 -99.994 -38.7589 -115.885 -194.778 96.2101 -11.862 105.74 -70.7397 PRESSAVG: 616800 84.4847 8.77939 -29.3912 8.77934 -32.8109 16.8401 -29.3911 16.8401 11.0347 GPRESSAVG: 616800 85.115 9.66536 -27.9013 6.55963 -32.8867 16.6368 -28.7689 14.5447 10.1231 TIMING: 616800 CPU: 1826.59, 0.00294708/step Wall: 1826.59, 0.00294708/step, 3.58823 hours remaining, 205.269531 MB of memory in use. ENERGY: 616800 729.6793 2085.3089 1979.4646 112.4449 -205606.6617 17588.8528 0.0000 0.0000 34408.3331 -148702.5781 300.4965 -183110.9112 -148607.9233 300.5931 -83.9863 -52.1257 557559.5593 20.9028 20.7838 PRESSURE: 617000 121.896 -92.5079 -2.82876 -92.5084 6.85403 -121.827 -2.8289 -121.826 52.0552 GPRESSURE: 617000 155.18 -71.2712 -5.35348 -102.185 -24.5304 -94.377 6.00422 -115.643 141.997 PRESSAVG: 617000 36.5301 -26.0123 -35.6055 -26.0123 -45.0844 -19.204 -35.6055 -19.2039 17.7812 GPRESSAVG: 617000 36.2338 -27.685 -34.7472 -24.7385 -46.5338 -19.9322 -36.1472 -18.2255 19.3545 TIMING: 617000 CPU: 1827.18, 0.0029627/step Wall: 1827.18, 0.0029627/step, 3.60709 hours remaining, 205.269531 MB of memory in use. ENERGY: 617000 728.3977 2134.8755 1951.2593 107.5160 -205973.7888 17773.6706 0.0000 0.0000 34501.6493 -148776.4203 301.3115 -183278.0696 -148678.2890 300.2874 60.2683 90.8823 555303.3915 3.0756 3.0182 PRESSURE: 617200 -44.0015 56.7118 93.0481 56.7111 -305.693 -98.4285 93.0477 -98.4286 -202.307 GPRESSURE: 617200 -48.6905 57.2415 42.5267 28.9563 -214.673 -69.6278 68.5371 -107.396 -194.988 PRESSAVG: 617200 4.18325 -31.9132 -16.9735 -31.9133 25.9056 -3.51232 -16.9734 -3.51225 -10.716 GPRESSAVG: 617200 3.42884 -31.832 -17.3835 -32.6245 26.2771 -1.1444 -16.0293 -4.19057 -10.1395 TIMING: 617200 CPU: 1827.77, 0.00294597/step Wall: 1827.77, 0.00294597/step, 3.58655 hours remaining, 205.269531 MB of memory in use. ENERGY: 617200 794.8235 2064.3792 1950.3465 108.4015 -205256.6884 17341.5124 0.0000 0.0000 34259.5670 -148737.6584 299.1973 -182997.2254 -148640.0428 300.9826 -184.0005 -152.7839 557673.1334 6.4576 6.5222 PRESSURE: 617400 22.3249 146.225 20.7637 146.224 -232.96 49.1591 20.7625 49.1594 15.3163 GPRESSURE: 617400 38.921 114.625 23.8572 72.6471 -117.587 -23.0574 1.07324 32.162 -21.3373 PRESSAVG: 617400 -37.5412 51.0113 -22.9168 51.0112 1.61301 60.7745 -22.9168 60.7744 34.0068 GPRESSAVG: 617400 -37.1785 49.5882 -22.2087 52.0107 2.34112 58.1635 -23.5676 62.1248 33.5774 TIMING: 617400 CPU: 1828.36, 0.00294315/step Wall: 1828.36, 0.00294315/step, 3.58296 hours remaining, 205.269531 MB of memory in use. ENERGY: 617400 745.6067 2091.5036 1960.5235 111.3711 -205572.2854 17504.1327 0.0000 0.0000 34286.4756 -148872.6722 299.4323 -183159.1479 -148773.8680 300.6811 -65.1064 -33.3344 556592.6420 -0.6404 -0.4200 PRESSURE: 617600 -274.328 -108.003 -53.7386 -108.002 17.1874 -84.132 -53.739 -84.1323 208.801 GPRESSURE: 617600 -167.835 -124.585 16.8377 -22.6526 -12.2925 -103.027 -70.0546 -67.0397 231.087 PRESSAVG: 617600 -13.8007 -15.2378 9.95536 -15.2378 70.9258 29.6383 9.95541 29.6382 1.5764 GPRESSAVG: 617600 -13.0389 -13.9113 10.2348 -16.923 69.6138 29.4008 10.7068 29.0021 2.23677 TIMING: 617600 CPU: 1828.95, 0.00297063/step Wall: 1828.95, 0.00297063/step, 3.61625 hours remaining, 205.269531 MB of memory in use. ENERGY: 617600 751.0823 2078.4627 1923.2905 111.6493 -205645.4631 17540.9361 0.0000 0.0000 34247.7464 -148992.2957 299.0941 -183240.0421 -148894.2693 300.3022 -16.1133 16.9862 557268.9479 19.5671 19.6039 PRESSURE: 617800 -101.852 -72.9575 -29.0796 -72.9588 -243.094 20.2315 -29.0786 20.2323 -167.077 GPRESSURE: 617800 -68.1203 -65.5463 -7.53662 -78.1583 -212.125 27.3795 12.2482 -15.8111 -123.304 PRESSAVG: 617800 24.4497 -29.2711 21.6297 -29.2712 44.0857 -39.4325 21.6297 -39.4325 -52.4026 GPRESSAVG: 617800 24.4627 -29.6122 20.7029 -28.0074 44.2912 -36.2543 20.8301 -39.9531 -52.8576 TIMING: 617800 CPU: 1829.54, 0.00296595/step Wall: 1829.54, 0.00296595/step, 3.61039 hours remaining, 205.269531 MB of memory in use. ENERGY: 617800 733.5226 2075.0795 1980.6666 106.4130 -205573.7103 17484.3096 0.0000 0.0000 34333.0760 -148860.6430 299.8393 -183193.7189 -148770.5928 300.1159 -170.6741 -134.5167 558754.0198 5.3776 5.2988 PRESSURE: 618000 242.382 -85.6907 163.877 -85.6902 -161.248 -162.327 163.878 -162.326 189.6 GPRESSURE: 618000 289.35 -114.884 142.443 -47.9588 -118.044 -177.242 139.803 -181.018 196.401 PRESSAVG: 618000 36.6329 -71.8535 -23.5011 -71.8535 -38.2938 -34.9365 -23.5011 -34.9365 30.6844 GPRESSAVG: 618000 36.3987 -71.965 -22.8978 -72.1662 -37.888 -37.5854 -22.5762 -34.2733 31.8029 TIMING: 618000 CPU: 1830.14, 0.00297314/step Wall: 1830.14, 0.00297314/step, 3.61897 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: 618000 706.6915 2085.8396 1970.5349 119.6360 -205707.6282 17722.8908 0.0000 0.0000 34269.9950 -148832.0404 299.2884 -183102.0355 -148740.9475 300.9877 90.2445 122.5690 556362.2254 9.6745 10.1045 PRESSURE: 618200 -62.2249 233.494 -78.7017 233.494 -74.461 -31.2784 -78.7015 -31.2786 -227.986 GPRESSURE: 618200 -10.6702 270.848 -192.839 176.058 -80.0699 10.5367 -4.3209 -41.6766 -172.102 PRESSAVG: 618200 42.7534 -2.44789 15.8796 -2.44794 -12.405 -34.642 15.8797 -34.6419 -66.731 GPRESSAVG: 618200 42.2686 1.00625 17.7124 -4.09173 -10.7031 -35.3594 13.6948 -33.4585 -67.1349 TIMING: 618200 CPU: 1830.74, 0.00298736/step Wall: 1830.74, 0.00298736/step, 3.63612 hours remaining, 205.269531 MB of memory in use. ENERGY: 618200 736.3421 2120.0657 1943.1222 118.4738 -205652.6393 17586.8261 0.0000 0.0000 34285.3379 -148862.4715 299.4224 -183147.8094 -148763.8653 300.5141 -121.5573 -87.6140 557486.1196 -12.1275 -11.8565 PRESSURE: 618400 9.61808 -7.79559 71.0609 -7.79548 -297.21 38.6978 71.0623 38.6991 -109.069 GPRESSURE: 618400 -6.71757 -5.30138 95.2366 23.8869 -246.275 -7.11295 48.4851 24.4544 -43.9981 PRESSAVG: 618400 48.646 8.47417 16.9906 8.47412 -15.5171 11.6755 16.9906 11.6755 -8.61622 GPRESSAVG: 618400 49.018 8.04098 16.9223 8.99892 -16.0315 12.2759 19.1409 9.70592 -8.35541 TIMING: 618400 CPU: 1831.33, 0.00294503/step Wall: 1831.33, 0.00294503/step, 3.58443 hours remaining, 205.269531 MB of memory in use. ENERGY: 618400 752.2270 2032.5742 1942.5012 96.0712 -205561.2841 17468.1956 0.0000 0.0000 34500.2800 -148769.4349 301.2995 -183269.7149 -148670.1541 300.4983 -132.2203 -98.9968 556890.6565 8.1709 8.2104 PRESSURE: 618600 65.9117 -116.988 -163.176 -116.99 101.782 -137.459 -163.175 -137.459 -175.804 GPRESSURE: 618600 102.858 -162.168 -110.784 -243.042 82.9828 -197.04 -150.784 -130.203 -108.883 PRESSAVG: 618600 56.965 41.2016 -4.77591 41.2016 -35.826 -0.276932 -4.7759 -0.276875 -32.7053 GPRESSAVG: 618600 57.9908 38.2384 -5.72054 43.675 -35.6225 -1.75188 -6.05886 1.13118 -33.7181 TIMING: 618600 CPU: 1831.92, 0.00296543/step Wall: 1831.92, 0.00296543/step, 3.60909 hours remaining, 205.269531 MB of memory in use. ENERGY: 618600 756.2242 2020.5822 1969.8320 111.4485 -205596.9582 17601.4841 0.0000 0.0000 34393.2069 -148744.1802 300.3644 -183137.3871 -148649.7889 300.1745 -2.7034 25.6526 557112.6944 -3.8554 -3.7833 PRESSURE: 618800 -229.486 243.939 -37.9017 243.937 -72.584 142.126 -37.9006 142.125 -169.192 GPRESSURE: 618800 -195.213 355.559 -20.2134 161.697 -37.6138 113.791 -67.5659 169.366 -142.099 PRESSAVG: 618800 -14.6908 -22.7442 -49.0754 -22.7441 10.2145 -33.9078 -49.0754 -33.9078 -0.889123 GPRESSAVG: 618800 -15.9892 -21.062 -49.7208 -23.8484 9.81131 -32.5106 -47.921 -34.154 0.624763 TIMING: 618800 CPU: 1832.51, 0.00296764/step Wall: 1832.51, 0.00296764/step, 3.61161 hours remaining, 205.269531 MB of memory in use. ENERGY: 618800 757.2117 2057.1903 1980.2784 117.8887 -205739.7195 17569.4697 0.0000 0.0000 34347.0044 -148910.6763 299.9609 -183257.6807 -148811.0597 300.1757 -157.0872 -124.9753 557652.6596 -1.7885 -1.8511 PRESSURE: 619000 -166.753 51.8226 -27.9637 51.8225 -220.732 176.755 -27.9641 176.756 -88.3409 GPRESSURE: 619000 -161.208 78.2085 -10.1618 121.375 -143.819 174.17 -76.5296 211.589 -82.9187 PRESSAVG: 619000 4.38047 37.3107 -24.8166 37.3107 -7.6038 27.6767 -24.8166 27.6766 19.4686 GPRESSAVG: 619000 4.07104 37.2006 -24.612 37.1702 -6.05679 27.5213 -24.3454 26.8062 17.8672 TIMING: 619000 CPU: 1833.11, 0.00297278/step Wall: 1833.11, 0.00297278/step, 3.6177 hours remaining, 205.269531 MB of memory in use. ENERGY: 619000 749.7417 2088.5581 1943.1479 123.8565 -205848.1223 17621.1458 0.0000 0.0000 34322.2407 -148999.4315 299.7447 -183321.6722 -148904.8355 299.6673 -158.6086 -129.3150 557603.3614 5.4151 5.2938 PRESSURE: 619200 -161.446 86.3929 -231.786 86.3937 -311.254 12.6527 -231.786 12.6528 -33.0485 GPRESSURE: 619200 -62.8266 90.3336 -227.29 120.9 -246.879 41.3814 -240.76 9.48087 -101.261 PRESSAVG: 619200 22.9042 -13.6463 -50.7479 -13.6463 37.3129 10.8706 -50.748 10.8707 -53.2994 GPRESSAVG: 619200 23.8172 -12.9865 -51.7533 -13.9922 36.28 10.5982 -49.5841 12.1607 -52.9559 TIMING: 619200 CPU: 1833.7, 0.00297711/step Wall: 1833.7, 0.00297711/step, 3.62281 hours remaining, 205.269531 MB of memory in use. ENERGY: 619200 737.3867 2060.0082 1925.5681 122.3315 -205881.1601 17610.0052 0.0000 0.0000 34311.8224 -149114.0380 299.6537 -183425.8603 -149012.6321 299.7106 -168.5827 -136.9889 558578.6011 2.3059 2.3805 PRESSURE: 619400 110.193 -155.023 60.6197 -155.023 179.932 55.5888 60.6194 55.5893 -148.241 GPRESSURE: 619400 132.924 -150.013 13.6866 -116.766 187.937 -59.6483 100.797 76.6463 -81.9307 PRESSAVG: 619400 3.61311 -48.0624 24.8679 -48.0623 47.8452 15.775 24.8679 15.7749 -17.5426 GPRESSAVG: 619400 3.17185 -47.6276 25.5046 -48.1946 47.6365 15.1546 24.0027 14.5065 -17.5999 TIMING: 619400 CPU: 1834.29, 0.00296207/step Wall: 1834.29, 0.00296207/step, 3.60435 hours remaining, 205.269531 MB of memory in use. ENERGY: 619400 704.1202 2040.1406 1958.6259 108.4605 -206089.4005 17841.5729 0.0000 0.0000 34159.4038 -149277.0766 298.3226 -183436.4804 -149180.4803 298.7291 47.2946 79.6434 558421.3299 11.3052 11.0695 PRESSURE: 619600 -118.815 -102.822 63.9197 -102.823 199.102 -40.0253 63.9212 -40.0264 -114.154 GPRESSURE: 619600 -102.535 -27.4227 27.9487 -95.8771 216.797 28.1723 -7.50384 -51.7791 -51.6724 PRESSAVG: 619600 66.2361 6.37451 12.0835 6.37451 -1.54885 -2.49626 12.0835 -2.49642 -42.9324 GPRESSAVG: 619600 65.8594 6.32968 13.2483 6.0339 -2.41922 -2.16305 11.236 -1.29981 -41.7164 TIMING: 619600 CPU: 1834.89, 0.00297612/step Wall: 1834.89, 0.00297612/step, 3.62128 hours remaining, 205.269531 MB of memory in use. ENERGY: 619600 756.1744 2058.1485 1931.5399 129.0964 -205956.2376 17821.1550 0.0000 0.0000 34273.9239 -148986.1994 299.3227 -183260.1234 -148889.9824 299.3317 -11.2889 20.8630 558626.8834 7.2516 7.2413 PRESSURE: 619800 119.827 101.383 -155.191 101.383 -393.918 -1.79786 -155.191 -1.79809 -208.609 GPRESSURE: 619800 86.7682 80.4007 -143.413 100.756 -319.101 12.9183 -70.2753 -6.31695 -149.428 PRESSAVG: 619800 9.55497 -5.79134 22.2085 -5.79127 36.0943 36.5548 22.2085 36.5549 -45.182 GPRESSAVG: 619800 9.91164 -7.77978 21.762 -3.03202 37.4125 35.848 22.2914 35.4379 -46.2081 TIMING: 619800 CPU: 1835.48, 0.00295903/step Wall: 1835.48, 0.00295903/step, 3.60032 hours remaining, 205.269531 MB of memory in use. ENERGY: 619800 742.3021 2043.2256 1968.2234 114.5586 -205831.7423 17559.8067 0.0000 0.0000 34384.5423 -149019.0835 300.2888 -183403.6259 -148918.3709 300.1205 -160.8998 -127.2537 558652.6235 0.1557 0.3720 PRESSURE: 620000 64.9793 88.3653 -109.848 88.3655 184.155 -38.2447 -109.848 -38.2468 20.604 GPRESSURE: 620000 107.202 119.765 -123.971 138.561 257.914 -3.45907 -95.0024 -63.2714 -2.4371 PRESSAVG: 620000 51.3264 23.1395 -5.3564 23.1396 3.56846 24.0797 -5.35628 24.0797 -31.0699 GPRESSAVG: 620000 50.0204 25.456 -7.81583 21.5082 3.87656 24.1725 -2.66086 25.2184 -29.5383 TIMING: 620000 CPU: 1836.08, 0.00297342/step Wall: 1836.08, 0.00297342/step, 3.61766 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: 620000 700.5465 2095.0326 1957.5417 107.7908 -205996.8382 17746.1819 0.0000 0.0000 34434.4217 -148955.3230 300.7244 -183389.7447 -148860.8888 300.3156 89.9126 120.8931 557838.0232 7.9416 8.1195 PRESSURE: 620200 126.647 -113.436 -94.6558 -113.436 190.603 204.01 -94.6553 204.009 52.0554 GPRESSURE: 620200 147.325 -204.653 -136.321 -60.7448 217.262 187.055 -2.35982 148.305 95.2025 PRESSAVG: 620200 31.8593 41.379 36.4711 41.379 46.3189 16.4625 36.4712 16.4623 -40.4901 GPRESSAVG: 620200 31.8726 40.801 38.6836 41.769 45.5988 17.6128 34.8524 15.0986 -39.7597 TIMING: 620200 CPU: 1836.67, 0.00298505/step Wall: 1836.67, 0.00298505/step, 3.63164 hours remaining, 205.269531 MB of memory in use. ENERGY: 620200 739.8709 2138.9033 1936.3935 108.4503 -206165.5196 17929.9465 0.0000 0.0000 34456.4179 -148855.5373 300.9165 -183311.9552 -148752.8735 299.9233 123.1019 153.2634 556887.7542 12.5627 12.5705 LDB: ============= START OF LOAD BALANCING ============== 1840.1 LDB: ============== END OF LOAD BALANCING =============== 1840.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1840.1 LDB: ============= START OF LOAD BALANCING ============== 1840.4 LDB: Largest compute 4820 load 0.030498 is 25.9% of average load 0.117902 LDB: Average compute 0.001732 is 1.5% of average load 0.117902 LDB: TIME 1840.41 LOAD: AVG 0.117902 MAX 0.19989 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.746 MB LDB: TIME 1840.41 LOAD: AVG 0.117902 MAX 0.19989 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.75 MB LDB: TIME 1840.41 LOAD: AVG 0.117902 MAX 0.19989 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.75 MB LDB: ============== END OF LOAD BALANCING =============== 1840.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1840.41 PRESSURE: 620400 65.989 29.5947 -49.9414 29.5939 106.698 -10.9227 -49.9417 -10.9232 -295.799 GPRESSURE: 620400 49.5039 12.4306 -38.024 67.5761 142.405 -65.5329 -102.187 -6.057 -222.273 PRESSAVG: 620400 72.5971 19.8768 -8.44961 19.8768 -54.4164 34.3367 -8.44948 34.3366 -9.47908 GPRESSAVG: 620400 72.8397 19.3141 -7.21854 22.3337 -54.4947 32.1404 -11.2862 34.8386 -9.60562 TIMING: 620400 CPU: 1837.28, 0.00304465/step Wall: 1837.28, 0.00304465/step, 3.70398 hours remaining, 205.136719 MB of memory in use. ENERGY: 620400 730.4789 2025.6968 1972.3513 121.0720 -205914.7367 17719.5187 0.0000 0.0000 34331.2455 -149014.3734 299.8233 -183345.6189 -148918.1530 299.7519 -41.0374 -10.1213 559457.6360 2.9006 2.9131 PRESSURE: 620600 130.189 180.515 1.61933 180.516 -23.1645 48.0417 1.61973 48.0399 -244.916 GPRESSURE: 620600 125.983 234.631 -93.1254 179.094 4.12299 31.1243 86.3406 -31.9761 -162.303 PRESSAVG: 620600 55.3496 0.133042 -18.6463 0.13313 53.34 22.8969 -18.6462 22.8968 -104.638 GPRESSAVG: 620600 56.2822 1.77638 -23.5857 -2.68775 53.2855 23.8289 -15.3834 21.4631 -105.139 TIMING: 620600 CPU: 1837.88, 0.00297294/step Wall: 1837.88, 0.00297294/step, 3.61658 hours remaining, 205.136719 MB of memory in use. ENERGY: 620600 762.4466 2102.3020 1945.6906 106.2239 -205979.0135 17734.7965 0.0000 0.0000 34264.2278 -149063.3261 299.2380 -183327.5539 -148967.3457 299.5592 -45.9638 -10.7323 558974.2922 1.3505 1.4761 PRESSURE: 620800 -323.184 23.9919 57.0243 23.9923 -520.107 -57.5493 57.0235 -57.5484 51.4049 GPRESSURE: 620800 -291.612 -91.7486 36.3507 3.56074 -479.593 -32.4712 40.6892 -81.5186 76.0428 PRESSAVG: 620800 12.5063 51.2726 -58.5742 51.2725 -45.7471 -46.0145 -58.5741 -46.0144 16.4926 GPRESSAVG: 620800 13.4972 49.2022 -56.2333 52.3663 -46.8583 -46.0174 -60.6414 -44.0886 16.7214 TIMING: 620800 CPU: 1838.47, 0.00295902/step Wall: 1838.47, 0.00295902/step, 3.59949 hours remaining, 205.136719 MB of memory in use. ENERGY: 620800 796.8046 2058.0943 1948.3074 113.5105 -205687.1274 17549.7868 0.0000 0.0000 34264.4061 -148956.2177 299.2396 -183220.6238 -148859.5068 300.0903 -263.9621 -231.7208 559679.2862 -5.5827 -5.5465 PRESSURE: 621000 -175.433 6.64339 92.7351 6.64394 -204.143 99.6843 92.7361 99.6852 -266.322 GPRESSURE: 621000 -142.923 -8.04034 132.621 72.1107 -178.724 83.0797 70.6199 91.3226 -224.711 PRESSAVG: 621000 36.8796 -45.7 8.46051 -45.7 -7.41849 26.8501 8.46047 26.85 -71.3674 GPRESSAVG: 621000 36.0654 -45.4973 9.89797 -43.7581 -6.15154 28.4378 9.16398 23.6629 -72.0462 TIMING: 621000 CPU: 1839.06, 0.00294248/step Wall: 1839.06, 0.00294248/step, 3.57921 hours remaining, 205.136719 MB of memory in use. ENERGY: 621000 762.4474 2111.9796 1933.2295 105.4465 -205616.0994 17711.9161 0.0000 0.0000 34297.2098 -148693.8705 299.5261 -182991.0803 -148600.7623 300.1683 -215.2993 -182.1194 559396.6658 -13.9688 -14.0441 PRESSURE: 621200 -95.6138 -22.5244 76.8287 -22.5246 -436.155 9.22302 76.8291 9.22359 220.88 GPRESSURE: 621200 -91.6379 -63.8461 -49.1899 -37.6259 -408.992 127.023 61.7833 26.7203 278.942 PRESSAVG: 621200 9.12018 59.77 21.7856 59.7701 -43.0563 54.2842 21.7855 54.2841 36.7241 GPRESSAVG: 621200 8.39697 60.0208 21.1759 57.6506 -43.892 53.6846 21.9491 58.2086 38.0022 TIMING: 621200 CPU: 1839.65, 0.00295504/step Wall: 1839.65, 0.00295504/step, 3.59432 hours remaining, 205.136719 MB of memory in use. ENERGY: 621200 775.3987 2164.6953 1968.4938 111.8537 -205973.1497 17742.4734 0.0000 0.0000 34398.7824 -148811.4524 300.4131 -183210.2349 -148715.8073 300.5665 -103.6297 -73.8960 558685.9424 0.9293 0.8357 PRESSURE: 621400 203.7 -30.2082 -166.114 -30.2092 -135.13 -67.66 -166.112 -67.6601 229.006 GPRESSURE: 621400 223.26 -40.408 -117.137 10.5892 -115.545 -62.2432 -126.774 -119.686 286.543 PRESSAVG: 621400 37.5292 -42.7035 -15.0159 -42.7035 -95.4623 22.9037 -15.0158 22.9039 34.646 GPRESSAVG: 621400 37.0913 -42.5598 -13.5368 -41.6295 -94.8612 22.7276 -14.2372 22.5427 34.3363 TIMING: 621400 CPU: 1840.24, 0.00296092/step Wall: 1840.24, 0.00296091/step, 3.6013 hours remaining, 205.136719 MB of memory in use. ENERGY: 621400 702.7684 2082.1014 1985.9881 116.4797 -205756.9979 17873.9739 0.0000 0.0000 34366.3549 -148629.3315 300.1299 -182995.6863 -148529.9096 300.6356 99.1920 131.4193 559604.4033 -7.7624 -7.8112 PRESSURE: 621600 -32.4087 31.722 -188.693 31.7214 -147.037 -65.8258 -188.693 -65.8261 -44.1038 GPRESSURE: 621600 20.4645 5.28389 -163.287 97.9199 -74.3353 -48.668 -123.627 9.99933 -63.5485 PRESSAVG: 621600 9.77075 3.16924 -44.0774 3.16923 -5.7642 -19.1459 -44.0774 -19.1461 21.6689 GPRESSAVG: 621600 10.5662 0.989063 -46.5102 3.41242 -5.31363 -20.6624 -42.8123 -19.1165 21.0733 TIMING: 621600 CPU: 1840.83, 0.00294316/step Wall: 1840.83, 0.00294316/step, 3.57954 hours remaining, 205.136719 MB of memory in use. ENERGY: 621600 727.5186 2079.4813 1954.6012 108.2185 -205656.0718 17661.0640 0.0000 0.0000 34452.9564 -148672.2318 300.8862 -183125.1882 -148576.0004 300.7114 -74.5164 -39.1398 560102.9220 8.5585 8.7753 PRESSURE: 621800 12.8835 23.0003 125.938 23.0022 -8.94754 82.5542 125.938 82.5532 55.3272 GPRESSURE: 621800 41.704 -19.6588 81.3127 14.2758 86.6738 94.8264 96.0149 116.362 23.2604 PRESSAVG: 621800 20.4631 62.5473 -48.9636 62.5472 -12.2537 -28.3395 -48.9637 -28.3395 -23.6155 GPRESSAVG: 621800 20.6372 64.2537 -48.0737 63.9076 -12.2178 -26.0282 -49.6164 -29.5333 -23.473 TIMING: 621800 CPU: 1841.42, 0.00295083/step Wall: 1841.42, 0.00295083/step, 3.5887 hours remaining, 205.136719 MB of memory in use. ENERGY: 621800 735.0127 2088.3787 1943.1241 113.7675 -206048.6007 17722.8128 0.0000 0.0000 34483.3122 -148962.1927 301.1513 -183445.5050 -148866.7202 300.2069 19.7544 50.5461 558372.8634 -5.1354 -5.0179 PRESSURE: 622000 23.1273 36.5265 -168.836 36.5273 -4.64546 -6.7605 -168.836 -6.75967 -180.013 GPRESSURE: 622000 15.6594 21.6453 -130.049 89.6585 -1.46363 -58.0226 -161.293 -38.6075 -88.924 PRESSAVG: 622000 50.9366 0.93658 -15.7021 0.936572 -13.0771 13.0033 -15.702 13.0032 -45.1855 GPRESSAVG: 622000 50.0064 -0.705493 -16.0671 0.10243 -12.7139 10.686 -16.046 14.8449 -45.0634 TIMING: 622000 CPU: 1842.01, 0.00293859/step Wall: 1842.01, 0.00293859/step, 3.57365 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: 622000 716.0517 2064.3524 1937.1932 109.6501 -205852.6909 17555.7800 0.0000 0.0000 34348.3881 -149121.2754 299.9730 -183469.6635 -149019.6214 299.9358 -53.8437 -24.9094 557637.4020 -2.4420 -2.5903 PRESSURE: 622200 47.8952 41.7083 4.65888 41.7092 144.971 111.848 4.66013 111.848 -153.8 GPRESSURE: 622200 114.889 87.4855 85.1467 48.2002 158.153 32.5581 53.8253 133.894 -138.996 PRESSAVG: 622200 -28.5572 -5.24268 -41.3445 -5.24269 40.8012 -12.2451 -41.3446 -12.2451 -1.43216 GPRESSAVG: 622200 -28.3496 -5.3187 -39.8442 -2.71724 40.1404 -11.9733 -42.2882 -13.2514 -1.37155 TIMING: 622200 CPU: 1842.6, 0.00294874/step Wall: 1842.6, 0.00294874/step, 3.58584 hours remaining, 205.136719 MB of memory in use. ENERGY: 622200 763.6150 2052.7097 1949.9050 105.8757 -206189.4764 17685.8072 0.0000 0.0000 34196.4373 -149435.1265 298.6460 -183631.5638 -149341.5592 298.3386 13.0219 44.6820 557649.8265 3.6040 3.4731 PRESSURE: 622400 166.598 118.097 -77.1384 118.097 280.116 55.0018 -77.1385 55.0018 -187.15 GPRESSURE: 622400 152.177 78.1081 -119.301 144.893 363.089 80.4005 -44.3681 111.013 -146.839 PRESSAVG: 622400 51.2789 4.48137 -21.8053 4.48135 33.9064 31.7886 -21.8054 31.7886 -70.0467 GPRESSAVG: 622400 52.1856 5.12302 -23.8956 2.65858 34.7744 31.5951 -19.7179 31.0743 -71.1262 TIMING: 622400 CPU: 1843.19, 0.00297616/step Wall: 1843.19, 0.00297616/step, 3.61901 hours remaining, 205.136719 MB of memory in use. ENERGY: 622400 735.6015 2113.5962 1959.9657 102.3582 -206358.9923 17765.4476 0.0000 0.0000 34286.4874 -149395.5356 299.4324 -183682.0231 -149300.8101 298.4012 86.5215 122.8086 555964.3296 5.0462 5.2779 PRESSURE: 622600 -24.5791 -116.217 76.3391 -116.218 167.543 233.319 76.34 233.318 -69.3691 GPRESSURE: 622600 -60.3155 -12.7397 61.1584 -55.7283 211.628 268.013 129.708 227.245 16.2862 PRESSAVG: 622600 -30.8881 9.77043 -40.3315 9.77041 58.0075 8.31633 -40.3314 8.31635 -37.8025 GPRESSAVG: 622600 -30.7955 10.9882 -40.0324 7.61324 57.1061 10.3948 -40.0854 7.07294 -36.4232 TIMING: 622600 CPU: 1843.78, 0.00296082/step Wall: 1843.78, 0.00296082/step, 3.6002 hours remaining, 205.136719 MB of memory in use. ENERGY: 622600 737.2092 2036.6014 1958.2042 109.4484 -206343.2080 17820.3673 0.0000 0.0000 34205.1349 -149476.2425 298.7220 -183681.3774 -149377.0530 298.8665 24.5315 55.8662 555464.6640 -3.5610 -3.3709 PRESSURE: 622800 -211.677 -25.3939 48.589 -25.3937 -295.822 11.8775 48.5897 11.8777 -17.6782 GPRESSURE: 622800 -241.136 -104.381 80.3568 21.6854 -255.123 -87.1798 85.0716 -51.7266 66.322 PRESSAVG: 622800 -8.14083 54.6194 -45.2868 54.6195 -65.6915 59.7485 -45.2868 59.7485 85.3334 GPRESSAVG: 622800 -7.62308 52.7504 -43.7174 56.2985 -66.3109 60.3688 -46.618 60.1061 85.3815 TIMING: 622800 CPU: 1844.38, 0.00296679/step Wall: 1844.38, 0.00296679/step, 3.60729 hours remaining, 205.136719 MB of memory in use. ENERGY: 622800 764.4634 2052.5727 1981.4044 116.7913 -206334.3042 17739.9096 0.0000 0.0000 34177.7055 -149501.4574 298.4824 -183679.1629 -149409.6701 298.3114 -175.0588 -143.3122 557873.7810 3.8337 3.8158 PRESSURE: 623000 -156.607 51.4529 15.7571 51.4525 -166.608 -112.207 15.7566 -112.209 -70.5856 GPRESSURE: 623000 -150.611 -53.9302 48.4716 56.8964 -136.993 -103.071 11.4392 -129.216 -14.8529 PRESSAVG: 623000 24.2456 6.94724 -23.6887 6.94721 -9.19189 1.09244 -23.6888 1.09248 -39.5333 GPRESSAVG: 623000 24.6379 8.3046 -25.7417 6.82832 -9.37378 -1.17221 -21.9276 0.970354 -39.2643 TIMING: 623000 CPU: 1844.97, 0.0029572/step Wall: 1844.97, 0.0029572/step, 3.59547 hours remaining, 205.136719 MB of memory in use. ENERGY: 623000 709.1065 2088.1002 1941.5750 103.5802 -206204.2109 17634.1023 0.0000 0.0000 34249.1585 -149478.5883 299.1064 -183727.7467 -149373.5118 298.7275 -131.2670 -100.8190 558356.2535 -8.1599 -8.0001 PRESSURE: 623200 -17.3594 131.217 40.6955 131.217 108.253 -8.84321 40.6954 -8.8434 368.277 GPRESSURE: 623200 15.6821 45.3548 67.8645 116.384 120.379 -5.56105 0.638507 -35.7078 420.015 PRESSAVG: 623200 9.51855 41.3675 -25.8304 41.3676 -50.1484 -25.9066 -25.8304 -25.9065 37.6173 GPRESSAVG: 623200 8.92587 42.0838 -23.8145 40.8316 -49.5033 -23.1361 -26.7181 -26.2488 38.0531 TIMING: 623200 CPU: 1845.56, 0.00297073/step Wall: 1845.56, 0.00297073/step, 3.61175 hours remaining, 205.136719 MB of memory in use. ENERGY: 623200 730.7804 2072.1447 1939.2778 112.2074 -206722.6485 18121.8872 0.0000 0.0000 34254.9358 -149491.4152 299.1569 -183746.3509 -149394.9224 298.2444 153.0570 185.3587 557529.9025 -1.0042 -0.8414 PRESSURE: 623400 -26.0759 -180.289 -48.8176 -180.289 41.1166 -112.65 -48.817 -112.651 -43.1011 GPRESSURE: 623400 24.3441 -149.261 -21.2839 -158.168 62.1059 -130.938 -22.079 -141.665 -20.137 PRESSAVG: 623400 43.8426 -36.4215 7.09127 -36.4216 22.4317 -7.25563 7.09129 -7.25557 -61.8767 GPRESSAVG: 623400 43.524 -38.1645 6.88423 -32.5115 22.6399 -8.51584 6.50028 -7.23386 -62.3373 TIMING: 623400 CPU: 1846.15, 0.00295981/step Wall: 1846.15, 0.00295981/step, 3.59831 hours remaining, 205.136719 MB of memory in use. ENERGY: 623400 765.7214 2061.1077 1936.3448 134.5459 -206720.4058 18087.7455 0.0000 0.0000 34256.7158 -149478.2246 299.1724 -183734.9404 -149380.5285 298.8039 -9.3535 22.1043 557969.3996 1.4659 1.2755 PRESSURE: 623600 -109.345 81.401 7.14518 81.402 -185.79 -90.8597 7.14534 -90.8606 57.1925 GPRESSURE: 623600 -50.4497 36.2851 67.9516 88.9046 -194.542 25.101 1.84667 -114.266 100.855 PRESSAVG: 623600 45.1277 -16.2499 -3.69908 -16.2499 -33.0305 -26.7908 -3.69914 -26.7908 24.0183 GPRESSAVG: 623600 44.9647 -15.1529 -4.37839 -20.2257 -33.1554 -26.8191 -2.47311 -26.1236 24.4648 TIMING: 623600 CPU: 1846.75, 0.00295503/step Wall: 1846.75, 0.00295503/step, 3.59234 hours remaining, 205.136719 MB of memory in use. ENERGY: 623600 818.4017 2119.4434 1955.9231 114.7888 -206375.5103 17833.2505 0.0000 0.0000 34242.6576 -149291.0452 299.0496 -183533.7028 -149206.6227 298.7242 -79.3142 -48.0456 557084.0876 12.0385 12.0914 PRESSURE: 623800 129.582 34.597 -79.5663 34.5963 65.8757 66.0707 -79.5662 66.0714 -213.971 GPRESSURE: 623800 170.46 -3.70695 1.43023 66.2118 58.8885 170.083 -163.514 70.3502 -139.689 PRESSAVG: 623800 75.3685 -24.1357 22.9037 -24.1356 -57.3114 -76.3331 22.9037 -76.3331 32.6059 GPRESSAVG: 623800 75.2264 -25.5513 23.2756 -22.5635 -58.0058 -76.3218 22.9052 -76.1565 33.1787 TIMING: 623800 CPU: 1847.34, 0.00295557/step Wall: 1847.34, 0.00295557/step, 3.59282 hours remaining, 205.136719 MB of memory in use. ENERGY: 623800 754.9561 2076.0021 1935.2814 114.2489 -206243.8554 17807.5667 0.0000 0.0000 34167.1693 -149388.6309 298.3904 -183555.8002 -149290.0640 299.4218 -6.1709 29.8864 557628.4194 16.8877 16.7998 PRESSURE: 624000 -109.429 75.6314 -56.7759 75.631 -177.413 7.18778 -56.7771 7.18808 -148.741 GPRESSURE: 624000 -64.2627 -1.77075 -69.787 77.6615 -122.262 -23.7575 -39.2974 -96.9077 -140.457 PRESSAVG: 624000 51.6387 -26.2977 -48.6177 -26.2976 31.6799 -47.7082 -48.6178 -47.7083 -11.29 GPRESSAVG: 624000 50.3994 -24.2983 -50.7144 -28.1832 32.5477 -47.5761 -50.0629 -48.7138 -11.1317 TIMING: 624000 CPU: 1847.93, 0.00294867/step Wall: 1847.93, 0.00294867/step, 3.58427 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: 624000 763.2935 2066.7799 1903.4564 119.5807 -206110.7844 17762.4958 0.0000 0.0000 34137.8121 -149357.3662 298.1340 -183495.1782 -149260.5816 298.8836 -145.1943 -108.9938 558397.3824 24.0095 23.9385 PRESSURE: 624200 -71.3455 137.918 -45.0399 137.918 -6.44223 -21.7514 -45.041 -21.7514 -9.83315 GPRESSURE: 624200 -49.4533 187.672 -51.4581 -1.7558 37.5746 -10.9568 -66.8236 2.29677 17.7696 PRESSAVG: 624200 61.7845 26.0606 -41.0507 26.0605 22.5434 -24.9708 -41.0507 -24.9708 -68.943 GPRESSAVG: 624200 62.9598 26.0672 -39.9752 25.3492 22.1836 -24.5004 -41.4876 -24.5618 -69.6177 TIMING: 624200 CPU: 1848.52, 0.0029706/step Wall: 1848.52, 0.0029706/step, 3.61076 hours remaining, 205.136719 MB of memory in use. ENERGY: 624200 741.0218 2061.2018 1953.3247 105.3404 -205998.5507 17669.6179 0.0000 0.0000 34320.3057 -149147.7383 299.7278 -183468.0440 -149045.7735 299.7139 -29.2070 1.9636 556827.6164 5.1283 5.1753 LDB: ============= START OF LOAD BALANCING ============== 1851.95 LDB: ============== END OF LOAD BALANCING =============== 1851.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1851.95 LDB: ============= START OF LOAD BALANCING ============== 1852.24 LDB: Largest compute 4820 load 0.029955 is 25.4% of average load 0.117879 LDB: Average compute 0.001723 is 1.5% of average load 0.117879 LDB: TIME 1852.25 LOAD: AVG 0.117879 MAX 0.195907 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 1852.25 LOAD: AVG 0.117879 MAX 0.195907 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.195 MB LDB: TIME 1852.25 LOAD: AVG 0.117879 MAX 0.195907 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.195 MB LDB: ============== END OF LOAD BALANCING =============== 1852.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1852.25 PRESSURE: 624400 122.06 -125.017 -78.7564 -125.016 -10.2311 115.396 -78.7556 115.397 41.1439 GPRESSURE: 624400 126.432 -73.2136 46.4158 -124.154 64.467 106.839 -154.666 90.1016 55.3586 PRESSAVG: 624400 12.3224 27.7445 33.759 27.7446 8.73469 -16.3971 33.759 -16.397 -24.0911 GPRESSAVG: 624400 10.7009 26.1965 33.8051 31.0194 9.36591 -16.4951 34.9201 -16.908 -23.1665 TIMING: 624400 CPU: 1849.12, 0.00301237/step Wall: 1849.12, 0.00301237/step, 3.66137 hours remaining, 207.761719 MB of memory in use. ENERGY: 624400 741.4901 2090.1710 1931.3265 143.5972 -206060.8979 17771.2698 0.0000 0.0000 34329.5401 -149053.5033 299.8084 -183383.0434 -148958.2500 300.0607 50.9910 82.0859 557069.0047 -1.0113 -1.0332 PRESSURE: 624600 -12.5461 -123.928 78.2919 -123.928 -202.261 147.959 78.2916 147.959 -108.102 GPRESSURE: 624600 36.2391 -118.049 -25.674 -92.7424 -172.573 61.2272 93.7345 137.282 -92.5269 PRESSAVG: 624600 63.4429 -16.2478 -1.79486 -16.2478 4.16534 -44.1152 -1.79491 -44.115 -56.458 GPRESSAVG: 624600 64.2178 -14.1159 -1.81179 -16.5573 4.16831 -44.3391 -2.18097 -43.3532 -57.569 TIMING: 624600 CPU: 1849.71, 0.0029427/step Wall: 1849.71, 0.0029427/step, 3.57653 hours remaining, 207.964844 MB of memory in use. ENERGY: 624600 771.9405 2091.8940 1957.9268 115.2192 -206040.0367 17712.8378 0.0000 0.0000 34290.9340 -149099.2845 299.4713 -183390.2185 -148999.9200 299.9244 -107.6362 -76.2868 555907.7765 3.7168 3.6057 PRESSURE: 624800 -8.36433 -79.6766 88.5048 -79.6771 59.7924 7.88222 88.5053 7.88279 -127.26 GPRESSURE: 624800 -5.24923 -12.0173 108.43 -86.1493 69.0933 121.055 69.1261 -45.5394 -46.6018 PRESSAVG: 624800 77.8554 -12.5974 -40.0033 -12.5974 -65.2047 87.9244 -40.0032 87.9243 -23.9786 GPRESSAVG: 624800 78.3157 -13.4041 -39.1505 -12.0713 -65.5099 86.9453 -41.6296 89.2749 -23.8864 TIMING: 624800 CPU: 1850.3, 0.00293528/step Wall: 1850.3, 0.00293528/step, 3.56735 hours remaining, 207.964844 MB of memory in use. ENERGY: 624800 759.5843 2085.4250 1944.7094 104.6055 -205915.0302 17778.1641 0.0000 0.0000 34205.8873 -149036.6546 298.7285 -183242.5419 -148938.1653 299.7582 -25.2772 5.7474 555909.7585 -3.7759 -3.6935 PRESSURE: 625000 85.1109 47.6409 -207.507 47.6413 312.562 -60.7906 -207.506 -60.7903 191.239 GPRESSURE: 625000 163.719 21.6925 -288.542 -5.33873 307.09 15.095 -223.019 -140.096 216.755 PRESSAVG: 625000 4.17008 -42.4472 27.5066 -42.4472 -3.5915 12.0336 27.5066 12.0337 -10.3036 GPRESSAVG: 625000 6.03514 -43.0421 25.2837 -44.04 -4.29517 13.7344 28.4015 9.32842 -11.4845 TIMING: 625000 CPU: 1850.88, 0.00292913/step Wall: 1850.88, 0.00292913/step, 3.5597 hours remaining, 207.964844 MB of memory in use. ENERGY: 625000 746.1452 2112.9474 1906.4081 117.9278 -206150.1577 18121.3500 0.0000 0.0000 34141.9464 -149003.4328 298.1701 -183145.3791 -148909.5125 299.5498 196.3041 229.1881 557083.1479 -3.2417 -3.2482 PRESSURE: 625200 -63.7884 59.9698 -61.8422 59.9696 -3.34982 -169.459 -61.8417 -169.459 285.884 GPRESSURE: 625200 -14.0269 43.5289 -48.4614 39.9583 52.445 -203.857 -50.7047 -164.476 278.354 PRESSAVG: 625200 47.7592 -35.9758 -10.7221 -35.9759 10.4844 -16.1091 -10.7221 -16.1091 -59.3937 GPRESSAVG: 625200 47.1761 -37.0409 -9.83115 -35.7982 10.9136 -17.2058 -11.3967 -15.2821 -59.6537 TIMING: 625200 CPU: 1851.48, 0.00296035/step Wall: 1851.48, 0.00296035/step, 3.59748 hours remaining, 207.964844 MB of memory in use. ENERGY: 625200 709.6079 2130.3720 1965.6060 114.2918 -206231.8804 17909.8594 0.0000 0.0000 34130.2608 -149271.8826 298.0681 -183402.1434 -149180.8236 298.9057 72.9153 105.5907 557695.6468 -0.3833 -0.5213 PRESSURE: 625400 -217.169 -57.002 110.642 -57.003 -319.765 -16.7399 110.642 -16.7402 -514.005 GPRESSURE: 625400 -175.747 -56.3315 154.807 10.2552 -363.447 -60.5985 166.9 -9.1365 -417.667 PRESSAVG: 625400 4.64259 31.0466 5.28591 31.0465 42.9757 5.26059 5.28594 5.26063 -22.6458 GPRESSAVG: 625400 4.00656 31.209 5.36263 32.4598 41.9668 5.07292 7.33286 4.7052 -20.6455 TIMING: 625400 CPU: 1852.07, 0.00294486/step Wall: 1852.07, 0.00294486/step, 3.5785 hours remaining, 207.964844 MB of memory in use. ENERGY: 625400 765.0162 2096.3895 1952.4305 121.8631 -205749.5174 17343.4772 0.0000 0.0000 34252.8537 -149217.4872 299.1387 -183470.3409 -149126.5542 298.8244 -350.3130 -318.9536 557227.0859 8.3241 8.4426 PRESSURE: 625600 -9.92032 149.539 33.2497 149.539 124.411 43.2617 33.2514 43.2615 32.8265 GPRESSURE: 625600 -24.5668 203.796 122.823 186.399 177.488 101.224 -23.8284 46.8197 86.396 PRESSAVG: 625600 -35.9358 0.648772 56.2516 0.648773 16.6413 -4.63708 56.2517 -4.63702 28.7599 GPRESSAVG: 625600 -36.3808 0.986143 55.9657 -0.525105 17.3965 -4.33293 55.1671 -4.06997 28.6775 TIMING: 625600 CPU: 1852.66, 0.00295879/step Wall: 1852.66, 0.00295879/step, 3.59526 hours remaining, 207.964844 MB of memory in use. ENERGY: 625600 791.6171 2059.4889 1977.3124 111.8687 -205889.4428 17762.6628 0.0000 0.0000 34113.5669 -149072.9260 297.9223 -183186.4929 -148980.4959 299.4037 49.1059 79.7724 556071.7341 3.1551 3.2311 PRESSURE: 625800 -259.756 65.98 29.8739 65.9802 -200.454 32.1937 29.8739 32.1902 -102.82 GPRESSURE: 625800 -213.731 71.9596 3.95297 8.33797 -176.75 30.8953 87.5787 88.3532 -65.6788 PRESSAVG: 625800 51.8551 0.8043 27.2283 0.80429 18.2046 -3.44611 27.2283 -3.44602 -33.3539 GPRESSAVG: 625800 52.1741 -1.05318 27.5737 1.2813 18.7651 -4.77638 28.2509 -2.2541 -34.1947 TIMING: 625800 CPU: 1853.25, 0.00294821/step Wall: 1853.25, 0.00294821/step, 3.58224 hours remaining, 207.964844 MB of memory in use. ENERGY: 625800 764.9994 2135.4948 1939.0981 110.4780 -205822.4053 17597.3848 0.0000 0.0000 34304.5490 -148970.4012 299.5902 -183274.9502 -148872.5077 298.9424 -187.6769 -152.0531 558570.6989 12.2352 12.2481 PRESSURE: 626000 178.87 -61.6586 107.781 -61.6581 213.784 72.0354 107.779 72.0339 22.0636 GPRESSURE: 626000 195.513 -54.942 104.381 -62.9034 237.272 130.698 129.751 61.5993 105.806 PRESSAVG: 626000 -25.4973 15.6042 26.1761 15.6041 42.5638 1.97353 26.1761 1.9736 -40.2332 GPRESSAVG: 626000 -26.0191 17.4524 26.2109 14.6612 43.312 3.76192 26.2351 0.62621 -40.5644 TIMING: 626000 CPU: 1853.84, 0.00294134/step Wall: 1853.84, 0.00294134/step, 3.57372 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: 626000 736.6705 2062.0829 1949.9310 111.7634 -206086.4708 17931.1205 0.0000 0.0000 34140.0139 -149154.8888 298.1532 -183294.9026 -149064.8980 299.1571 138.2390 179.5305 557562.2454 -7.7222 -7.7572 PRESSURE: 626200 7.65408 13.5859 181.623 13.5855 -215.529 40.327 181.624 40.3278 -113.54 GPRESSURE: 626200 28.2881 -98.2386 200.909 27.4699 -230.886 96.694 176.712 -22.9314 -26.341 PRESSAVG: 626200 9.43703 -17.886 -21.422 -17.886 -21.0823 -13.5308 -21.422 -13.5309 -31.0755 GPRESSAVG: 626200 8.29818 -19.4722 -20.3899 -17.6391 -21.5308 -13.7263 -20.6654 -14.5698 -29.3 TIMING: 626200 CPU: 1854.43, 0.00297695/step Wall: 1854.43, 0.00297695/step, 3.61683 hours remaining, 207.964844 MB of memory in use. ENERGY: 626200 722.0461 2093.1018 1950.8857 110.1058 -206013.0112 17555.6371 0.0000 0.0000 34270.0053 -149311.2295 299.2885 -183581.2347 -149218.7009 299.3285 -107.1381 -76.3129 557960.0755 -14.2403 -14.1775 PRESSURE: 626400 -49.3903 13.7047 -68.4797 13.7055 -92.8076 51.6628 -68.48 51.6619 -14.8205 GPRESSURE: 626400 -16.675 34.6932 -113.02 41.38 -52.4971 59.3573 -13.7051 -63.4487 26.2181 PRESSAVG: 626400 17.2092 -8.51137 13.2946 -8.51138 -35.371 69.4168 13.2947 69.4167 40.2991 GPRESSAVG: 626400 17.8869 -9.7041 12.1917 -6.718 -35.1069 66.7889 12.0699 70.555 39.3785 TIMING: 626400 CPU: 1855.03, 0.00297929/step Wall: 1855.03, 0.00297929/step, 3.61951 hours remaining, 207.964844 MB of memory in use. ENERGY: 626400 783.4984 2067.9865 1951.6139 107.9114 -206470.0887 17956.4740 0.0000 0.0000 34332.5142 -149270.0903 299.8344 -183602.6045 -149169.9756 298.7945 -52.3395 -14.3180 557351.5512 7.3791 7.3862 PRESSURE: 626600 118.042 134.761 -22.1068 134.76 -5.66316 -47.9486 -22.1072 -47.9474 -44.6887 GPRESSURE: 626600 88.5779 122.063 -57.7888 12.3857 39.9001 44.3892 -10.0839 -48.9389 28.9272 PRESSAVG: 626600 7.48347 8.30113 7.7284 8.30122 -31.9704 67.6267 7.72831 67.6267 38.1561 GPRESSAVG: 626600 7.86874 11.0525 8.74582 5.74655 -31.4792 68.6683 7.73798 67.0609 37.3645 TIMING: 626600 CPU: 1855.62, 0.00296249/step Wall: 1855.62, 0.00296249/step, 3.59893 hours remaining, 207.964844 MB of memory in use. ENERGY: 626600 721.2156 2092.6285 1942.6043 109.1770 -206335.0341 17795.5686 0.0000 0.0000 34517.2042 -149156.6360 301.4473 -183673.8402 -149068.7954 299.4137 22.5633 52.4684 557509.0063 4.5564 4.5847 PRESSURE: 626800 6.26721 -18.5931 91.6142 -18.5925 -224.756 -29.7367 91.6148 -29.7343 101.26 GPRESSURE: 626800 -9.06549 -65.418 98.7521 -77.8009 -144.635 5.84308 78.721 -3.20723 123.656 PRESSAVG: 626800 7.88188 -4.16448 22.0367 -4.16449 -35.3568 53.2465 22.0367 53.2465 54.9766 GPRESSAVG: 626800 6.27746 -4.56423 21.0328 -4.26669 -35.9127 52.6655 21.8573 51.4405 57.3188 TIMING: 626800 CPU: 1856.21, 0.00295267/step Wall: 1856.21, 0.00295267/step, 3.58684 hours remaining, 207.964844 MB of memory in use. ENERGY: 626800 757.1885 2163.5902 1942.0099 110.9263 -206096.5803 17829.1089 0.0000 0.0000 34170.6434 -149123.1130 298.4207 -183293.7564 -149028.6701 299.6199 -39.0764 -10.0150 557619.0814 9.1672 9.2279 PRESSURE: 627000 -28.003 -214.726 -162.348 -214.726 70.9643 95.1672 -162.347 95.1666 -84.323 GPRESSURE: 627000 13.5718 -194.073 -120.446 -80.7098 36.8799 62.6944 -165.486 66.0933 21.3606 PRESSAVG: 627000 -11.5569 -51.3183 -7.09124 -51.3183 -60.1707 -18.3964 -7.09109 -18.3964 36.2819 GPRESSAVG: 627000 -9.10538 -52.6008 -8.54768 -48.7891 -61.7926 -18.4692 -6.76844 -15.6962 35.4059 TIMING: 627000 CPU: 1856.8, 0.00295754/step Wall: 1856.8, 0.00295753/step, 3.59258 hours remaining, 207.964844 MB of memory in use. ENERGY: 627000 774.3580 2080.9716 1938.5392 97.3626 -206276.5437 17893.0679 0.0000 0.0000 34416.2934 -149075.9509 300.5661 -183492.2444 -148983.3772 299.3410 -13.7873 23.9374 559187.1891 -11.8152 -11.8307 PRESSURE: 627200 174.054 61.7216 43.7278 61.7234 245.551 -20.8928 43.7299 -20.894 325.399 GPRESSURE: 627200 196.073 66.6218 21.8368 38.5946 309.371 2.92712 53.0684 -10.4179 334.902 PRESSAVG: 627200 -39.1047 -0.477349 25.5017 -0.477353 -33.2387 4.368 25.5018 4.36809 56.2624 GPRESSAVG: 627200 -40.2191 0.922093 25.9042 -1.40487 -32.0715 4.86492 25.3005 4.20764 55.9339 TIMING: 627200 CPU: 1857.39, 0.00295645/step Wall: 1857.39, 0.00295645/step, 3.5911 hours remaining, 207.964844 MB of memory in use. ENERGY: 627200 745.1473 2105.1155 1963.2982 105.2707 -206200.8958 18068.5522 0.0000 0.0000 34184.3823 -149029.1294 298.5407 -183213.5117 -148932.6111 299.7217 248.3347 280.1157 557224.8889 -5.3603 -5.4522 PRESSURE: 627400 -28.2879 -17.2944 101.588 -17.2938 85.2133 -126.635 101.587 -126.637 2.27513 GPRESSURE: 627400 -22.9628 20.9724 180.011 -48.8755 123.651 -166.062 76.2845 -157.805 54.3753 PRESSAVG: 627400 -49.8328 11.7186 11.3424 11.7187 -37.0519 -30.686 11.3424 -30.6861 82.6247 GPRESSAVG: 627400 -49.3388 11.0877 13.5413 11.7086 -38.0426 -29.2538 11.5863 -31.5906 83.3744 TIMING: 627400 CPU: 1857.99, 0.00296545/step Wall: 1857.99, 0.00296545/step, 3.60187 hours remaining, 207.964844 MB of memory in use. ENERGY: 627400 717.2007 2072.0244 1980.6702 118.7146 -206310.5347 17822.7215 0.0000 0.0000 34452.6149 -149146.5884 300.8833 -183599.2033 -149040.4387 299.7834 19.7335 51.6880 558342.6193 -1.4200 -1.3357 PRESSURE: 627600 -51.276 -5.14737 73.1954 -5.14784 7.85582 -3.12841 73.1948 -3.12834 -116.644 GPRESSURE: 627600 -51.5456 -27.2443 -49.2569 -20.553 17.2623 21.4677 87.101 -23.4693 -37.0188 PRESSAVG: 627600 -32.4301 -18.5009 55.949 -18.5009 58.2665 -29.2726 55.9489 -29.2726 -75.8439 GPRESSAVG: 627600 -33.8832 -18.2712 52.9108 -18.1814 59.5944 -30.4122 57.6786 -30.0263 -75.3052 TIMING: 627600 CPU: 1858.58, 0.00299184/step Wall: 1858.58, 0.00299184/step, 3.63376 hours remaining, 207.964844 MB of memory in use. ENERGY: 627600 781.0280 2120.3650 1967.1038 107.5058 -206081.8828 17689.8105 0.0000 0.0000 34230.8560 -149185.2139 298.9466 -183416.0698 -149086.9546 299.2378 -53.3548 -23.7674 557366.6565 -16.6691 -16.5313 PRESSURE: 627800 -137.599 82.7066 -136.785 82.7057 -50.1064 37.8268 -136.784 37.8281 -149.028 GPRESSURE: 627800 -94.3968 62.0426 -155.793 150.445 -63.4557 -53.1394 -72.9455 71.1629 -94.6693 PRESSAVG: 627800 -57.7833 -6.76356 51.655 -6.76352 22.8171 -14.8391 51.6551 -14.8391 12.4735 GPRESSAVG: 627800 -56.5612 -7.4665 54.1704 -7.53346 22.3239 -15.5561 50.6832 -13.7032 11.2997 TIMING: 627800 CPU: 1859.18, 0.0029965/step Wall: 1859.18, 0.0029965/step, 3.63925 hours remaining, 207.964844 MB of memory in use. ENERGY: 627800 765.0188 2150.3481 1956.4030 114.2680 -206287.9202 17758.4552 0.0000 0.0000 34243.0867 -149300.3404 299.0534 -183543.4271 -149195.3832 299.4588 -112.2444 -84.1739 558413.1984 -7.4976 -7.6459 PRESSURE: 628000 -255.719 -125.233 3.09757 -125.233 -182.954 -117.795 3.09753 -117.796 -204.15 GPRESSURE: 628000 -152.559 -133.487 37.3303 -113.214 -204.945 -109.543 -29.2089 -102.473 -177.402 PRESSAVG: 628000 30.2706 -3.95784 10.942 -3.95787 25.3324 -18.4009 10.942 -18.401 -39.9055 GPRESSAVG: 628000 30.389 -3.33296 11.1497 -4.59107 25.2876 -18.0788 10.5633 -18.5723 -40.0778 TIMING: 628000 CPU: 1859.79, 0.0030205/step Wall: 1859.79, 0.0030205/step, 3.66822 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: 628000 744.7872 2059.3474 1955.7300 94.6867 -206009.5020 17624.5992 0.0000 0.0000 34198.0806 -149332.2710 298.6603 -183530.3515 -149240.1732 299.7927 -214.2744 -178.3021 558593.1244 5.2325 5.1996 PRESSURE: 628200 -151.636 -170.32 100.147 -170.32 49.5399 54.4825 100.149 54.4825 -304.965 GPRESSURE: 628200 -118.194 -182.092 110.437 -116.528 74.9811 98.7347 121.064 37.5152 -265.766 PRESSAVG: 628200 21.8661 -32.4365 6.74602 -32.4365 11.0747 3.6902 6.74606 3.69015 -86.2773 GPRESSAVG: 628200 21.6406 -33.6921 8.91258 -29.4343 11.7164 3.34711 7.56456 4.93039 -86.7419 TIMING: 628200 CPU: 1860.4, 0.00304973/step Wall: 1860.4, 0.00304973/step, 3.70356 hours remaining, 207.964844 MB of memory in use. ENERGY: 628200 757.2712 2062.4499 1960.8663 131.2071 -206179.4812 17699.1959 0.0000 0.0000 34151.8108 -149416.6800 298.2563 -183568.4907 -149324.4397 298.7552 -135.6869 -102.9930 557644.5391 -17.7788 -17.7950 LDB: ============= START OF LOAD BALANCING ============== 1863.83 LDB: ============== END OF LOAD BALANCING =============== 1863.83 LDB: =============== DONE WITH MIGRATION ================ 1863.83 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 1864.14 LDB: Largest compute 4848 load 0.029626 is 24.1% of average load 0.122747 LDB: Average compute 0.001739 is 1.4% of average load 0.122747 LDB: TIME 1864.14 LOAD: AVG 0.122747 MAX 0.200748 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.496 MB LDB: TIME 1864.14 LOAD: AVG 0.122747 MAX 0.200748 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.496 MB LDB: TIME 1864.14 LOAD: AVG 0.122747 MAX 0.200748 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.496 MB LDB: ============== END OF LOAD BALANCING =============== 1864.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 1864.14 Info: useSync: 0 useProxySync: 0 PRESSURE: 628400 145.526 -94.138 127.842 -94.1389 160.468 -29.9861 127.843 -29.9856 -103.191 GPRESSURE: 628400 151.55 -52.8098 72.1091 -97.0277 174.496 -79.7155 93.1516 2.72941 -44.726 PRESSAVG: 628400 -32.9762 17.2397 9.08998 17.2398 50.7932 -4.27898 9.08998 -4.27905 -11.1672 GPRESSAVG: 628400 -31.8677 19.951 8.71328 13.4197 50.376 -2.77775 8.23046 -5.24671 -11.6732 TIMING: 628400 CPU: 1861.01, 0.00308452/step Wall: 1861.01, 0.00308452/step, 3.74564 hours remaining, 205.007812 MB of memory in use. ENERGY: 628400 774.3748 2059.5696 1951.4853 118.0243 -206417.6120 18011.3596 0.0000 0.0000 34110.5639 -149392.2346 297.8960 -183502.7985 -149297.8079 299.1044 67.6011 93.7733 556734.0918 2.2166 2.2784 PRESSURE: 628600 331.035 -187.424 -62.4129 -187.425 15.6772 -192.611 -62.4126 -192.609 207.185 GPRESSURE: 628600 322.829 -196.088 15.4396 -151.196 110.05 -220.237 -72.3258 -126.707 227.755 PRESSAVG: 628600 -28.461 37.709 20.3327 37.709 -24.3954 10.3143 20.3328 10.3143 48.7008 GPRESSAVG: 628600 -30.1637 37.0901 17.5086 39.28 -24.823 9.67461 21.3959 10.5184 50.438 TIMING: 628600 CPU: 1861.62, 0.00301555/step Wall: 1861.62, 0.00301555/step, 3.66171 hours remaining, 205.210938 MB of memory in use. ENERGY: 628600 735.7829 2113.6025 1968.7647 105.5462 -206628.6408 18292.8510 0.0000 0.0000 33967.5267 -149444.5668 296.6469 -183412.0935 -149356.0061 297.7642 184.6322 220.2113 557391.5797 -1.3852 -1.5163 PRESSURE: 628800 108.331 96.8793 75.3384 96.8785 94.1438 83.8244 75.3392 83.8223 251.565 GPRESSURE: 628800 165.292 94.3839 35.5956 107.766 118.199 112.843 127.403 147.429 261.563 PRESSAVG: 628800 22.6662 8.30244 58.4408 8.30252 -24.7655 -17.6809 58.4409 -17.6809 19.757 GPRESSAVG: 628800 24.1744 6.56506 58.8396 9.97162 -25.3292 -17.131 57.6846 -16.0039 18.6865 TIMING: 628800 CPU: 1862.22, 0.00301436/step Wall: 1862.22, 0.00301436/step, 3.6601 hours remaining, 205.210938 MB of memory in use. ENERGY: 628800 732.6689 2110.4251 1967.3584 119.1963 -206829.2112 18281.5887 0.0000 0.0000 34191.4259 -149426.5480 298.6022 -183617.9739 -149334.5308 298.4742 151.3465 181.6849 557942.0457 5.8859 5.8439 PRESSURE: 629000 199.706 77.5377 51.9233 77.5384 4.57523 12.5805 51.9221 12.5798 -103.421 GPRESSURE: 629000 225.381 113.867 90.381 110.898 40.8816 -28.429 10.4689 54.0232 -76.9892 PRESSAVG: 629000 37.3769 11.2813 37.2671 11.2813 -11.4784 -44.1948 37.2671 -44.1948 -34.0597 GPRESSAVG: 629000 36.9534 11.8847 37.1994 9.97364 -10.9865 -44.1783 37.2449 -45.7862 -34.1152 TIMING: 629000 CPU: 1862.82, 0.00301708/step Wall: 1862.82, 0.00301708/step, 3.66323 hours remaining, 205.210938 MB of memory in use. ENERGY: 629000 734.7598 2071.5041 1968.5523 125.8553 -206456.0248 17947.8357 0.0000 0.0000 34198.7508 -149408.7669 298.6662 -183607.5177 -149318.2288 298.2662 33.6200 63.0912 558000.9893 -2.7204 -2.7161 PRESSURE: 629200 -73.8803 -210.983 -93.1439 -210.983 -47.9758 55.7557 -93.1437 55.7569 -199.576 GPRESSURE: 629200 -79.6153 -131.152 -160.332 -150.59 -34.4114 52.8337 -77.8399 90.9931 -111.476 PRESSAVG: 629200 15.4903 1.23672 -42.9354 1.23678 -62.4488 -100.263 -42.9354 -100.263 73.8571 GPRESSAVG: 629200 15.8868 0.700037 -44.4442 2.44007 -63.1123 -99.0807 -42.9043 -100.559 74.6837 TIMING: 629200 CPU: 1863.43, 0.0030514/step Wall: 1863.43, 0.0030514/step, 3.70474 hours remaining, 205.210938 MB of memory in use. ENERGY: 629200 746.1909 2100.0864 1949.2396 109.1582 -206513.8069 17845.2147 0.0000 0.0000 34228.8232 -149535.0941 298.9288 -183763.9173 -149438.7690 298.8439 -107.1439 -75.1677 558031.2957 8.9662 9.1528 PRESSURE: 629400 -38.9314 205.88 -35.4584 205.879 -168.258 -75.7675 -35.4599 -75.7669 -41.4094 GPRESSURE: 629400 -33.9241 152.067 8.38365 218.459 -155.996 13.3427 21.7125 -128.491 34.8534 PRESSAVG: 629400 13.2943 9.28471 -13.0452 9.2847 3.26099 6.72673 -13.0452 6.7267 5.28757 GPRESSAVG: 629400 13.8542 7.41931 -9.73853 9.18597 3.28733 5.82518 -15.5095 6.85317 4.92213 TIMING: 629400 CPU: 1864.03, 0.00296783/step Wall: 1864.03, 0.00296783/step, 3.60311 hours remaining, 205.210938 MB of memory in use. ENERGY: 629400 755.7073 2073.8788 1953.9884 122.6606 -206247.2463 17750.3440 0.0000 0.0000 34183.1514 -149407.5157 298.5300 -183590.6671 -149317.1131 298.3252 -82.8664 -51.6888 557769.6242 7.2810 7.3545 PRESSURE: 629600 4.7482 14.2133 -127.369 14.2137 -50.6813 66.6304 -127.371 66.6296 -38.5997 GPRESSURE: 629600 -1.00206 41.835 -157.213 67.9877 -21.8025 56.8257 -102.32 107.348 38.5063 PRESSAVG: 629600 -1.61287 13.8228 -12.6701 13.8228 -25.3914 12.439 -12.67 12.439 40.8495 GPRESSAVG: 629600 -2.9828 15.254 -13.4397 12.3557 -25.1638 14.6828 -10.4985 11.02 41.8301 TIMING: 629600 CPU: 1864.62, 0.00297447/step Wall: 1864.62, 0.00297447/step, 3.611 hours remaining, 205.210938 MB of memory in use. ENERGY: 629600 768.0053 2054.1436 1939.4432 105.1572 -206679.5600 18013.8715 0.0000 0.0000 34279.7338 -149519.2054 299.3734 -183798.9392 -149423.0627 298.3790 -28.1776 5.2339 556809.4655 4.6151 4.5611 PRESSURE: 629800 -523.635 128.707 18.1694 128.708 -292.284 -76.7807 18.1697 -76.7796 -256.708 GPRESSURE: 629800 -487.531 140.079 19.0757 102.081 -266.777 -15.5255 35.3333 -74.1492 -219.912 PRESSAVG: 629800 -37.6704 5.0319 -15.4417 5.03199 -6.03309 -6.90394 -15.4417 -6.90402 25.8811 GPRESSAVG: 629800 -36.228 6.04911 -16.5516 4.45444 -6.79267 -7.99856 -14.0458 -6.5966 25.3112 TIMING: 629800 CPU: 1865.22, 0.00297298/step Wall: 1865.22, 0.00297298/step, 3.60903 hours remaining, 205.210938 MB of memory in use. ENERGY: 629800 726.9820 2166.1128 1945.4153 108.2598 -205702.4098 17225.1497 0.0000 0.0000 34046.7322 -149483.7580 297.3386 -183530.4902 -149385.7067 298.2898 -357.5426 -324.7400 558188.9430 -5.9408 -5.9031 PRESSURE: 630000 -55.3569 26.981 -42.7618 26.9798 -178.391 -30.3968 -42.7622 -30.3962 -304.18 GPRESSURE: 630000 -112.176 31.1335 -49.5026 7.1768 -132.148 -49.4901 5.78263 -54.6338 -197.744 PRESSAVG: 630000 -18.6211 0.00230697 -14.122 0.00246723 -8.8065 -9.23573 -14.122 -9.23575 23.1987 GPRESSAVG: 630000 -18.3755 -0.176442 -15.7334 1.31798 -9.57 -10.3311 -14.5489 -8.68595 23.4087 TIMING: 630000 CPU: 1865.81, 0.0029617/step Wall: 1865.81, 0.0029617/step, 3.59517 hours remaining, 205.210938 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: 630000 773.9808 2041.0775 1965.3137 117.0369 -205973.5644 17627.0753 0.0000 0.0000 34082.2362 -149366.8440 297.6486 -183449.0802 -149272.2586 298.6855 -179.3091 -147.3560 558024.6502 -1.4096 -1.5123 PRESSURE: 630200 311.716 57.1969 -37.8209 57.198 457.437 -94.5922 -37.8189 -94.593 -15.6384 GPRESSURE: 630200 342.168 68.7929 -138.762 126.235 481.127 -140.914 15.1874 -99.7778 11.2252 PRESSAVG: 630200 -46.4475 15.7089 27.9701 15.7089 64.467 21.9576 27.9702 21.9576 5.90638 GPRESSAVG: 630200 -47.809 14.6844 31.5446 17.2815 66.6228 22.5757 26.5846 23.1408 5.4771 TIMING: 630200 CPU: 1866.41, 0.0029839/step Wall: 1866.41, 0.0029839/step, 3.62196 hours remaining, 205.210938 MB of memory in use. ENERGY: 630200 722.0368 2037.4559 1921.9304 118.6662 -206516.4401 18178.1801 0.0000 0.0000 34401.4576 -149136.7129 300.4365 -183538.1706 -149031.6063 299.0581 251.1718 278.1734 556102.8386 7.9753 8.0970 PRESSURE: 630400 16.061 31.9638 1.62314 31.9634 -128.445 102.081 1.62275 102.081 33.3602 GPRESSURE: 630400 77.7028 -35.1985 15.8805 59.4501 -85.2398 143.912 14.9357 87.2179 20.3077 PRESSAVG: 630400 -25.4993 21.2834 10.8073 21.2833 17.1558 13.6902 10.8074 13.6901 14.0292 GPRESSAVG: 630400 -25.6573 20.7699 8.87936 22.1642 17.213 13.092 10.6823 14.3977 14.1146 TIMING: 630400 CPU: 1867, 0.00296874/step Wall: 1867, 0.00296874/step, 3.60339 hours remaining, 205.210938 MB of memory in use. ENERGY: 630400 791.9835 2077.3855 1942.1872 110.4641 -205993.5143 17654.2312 0.0000 0.0000 34322.7311 -149094.5317 299.7489 -183417.2628 -148998.0059 299.5040 -26.3413 4.2569 557236.8942 1.8953 1.8901 PRESSURE: 630600 -61.0731 -8.85078 -16.5697 -8.85055 69.2606 2.37235 -16.5701 2.37176 -273.87 GPRESSURE: 630600 -52.6231 82.8255 45.5407 -112.218 116.531 35.0726 4.73443 -22.7214 -239.68 PRESSAVG: 630600 -22.2583 39.6809 -38.5598 39.6808 35.3565 23.284 -38.5597 23.284 -11.1363 GPRESSAVG: 630600 -22.115 41.6037 -37.3717 39.1639 35.392 23.0258 -37.8028 22.6629 -11.8738 TIMING: 630600 CPU: 1867.59, 0.00296123/step Wall: 1867.59, 0.00296123/step, 3.59411 hours remaining, 205.210938 MB of memory in use. ENERGY: 630600 742.2382 2119.3553 1943.8303 111.6786 -206220.9638 17818.0168 0.0000 0.0000 34454.2953 -149031.5492 300.8979 -183485.8446 -148936.4214 300.1021 -88.5610 -58.5907 557303.2290 0.6540 0.4677 PRESSURE: 630800 -89.4598 -185.136 59.4811 -185.135 -283.605 -99.0958 59.4813 -99.095 37.9949 GPRESSURE: 630800 -55.7203 -215.707 5.64786 -120.22 -210.996 -46.9952 85.4481 -151.365 22.4388 PRESSAVG: 630800 -28.0941 -32.529 -19.0234 -32.529 -10.9041 -57.1138 -19.0233 -57.1139 50.468 GPRESSAVG: 630800 -28.1267 -31.4124 -20.307 -35.7623 -11.3009 -58.1695 -20.0131 -56.6116 50.823 TIMING: 630800 CPU: 1868.19, 0.00296983/step Wall: 1868.19, 0.00296983/step, 3.60438 hours remaining, 205.210938 MB of memory in use. ENERGY: 630800 737.4548 2112.1805 1944.1204 121.8841 -206166.7183 17560.4740 0.0000 0.0000 34365.0985 -149325.5060 300.1190 -183690.6045 -149230.2107 299.7989 -111.6901 -81.4257 557036.3658 3.8233 3.7985 PRESSURE: 631000 53.8332 -63.5119 -185.452 -63.5108 -152.18 -121.02 -185.452 -121.021 -33.887 GPRESSURE: 631000 110.373 -107.501 -90.0615 -108.91 -173.039 -160.51 -167.531 -155.961 21.6906 PRESSAVG: 631000 51.3966 -33.1766 6.60344 -33.1765 -27.6207 -43.5103 6.60335 -43.5102 23.2846 GPRESSAVG: 631000 51.1348 -34.3301 8.13304 -32.1747 -27.8633 -41.3922 7.07056 -44.8695 24.1399 TIMING: 631000 CPU: 1868.78, 0.00296292/step Wall: 1868.78, 0.00296292/step, 3.59584 hours remaining, 205.210938 MB of memory in use. ENERGY: 631000 753.8174 2057.8948 1964.6121 122.7065 -206089.6650 17868.5450 0.0000 0.0000 34112.2766 -149209.8126 297.9110 -183322.0892 -149112.9329 299.6307 -44.0780 -13.6584 558254.3534 15.6868 15.8038 PRESSURE: 631200 75.0935 34.2657 12.0012 34.2659 -53.5934 98.9249 12.0021 98.9228 -4.19181 GPRESSURE: 631200 143.675 10.4735 -83.2978 62.8235 -21.4451 102.529 22.8329 7.80211 -9.94481 PRESSAVG: 631200 45.3189 -1.72428 -38.1814 -1.72425 -20.3466 -18.615 -38.1814 -18.615 -17.6953 GPRESSAVG: 631200 47.1124 -0.163455 -38.4777 -2.77102 -20.7925 -17.7442 -36.1248 -17.1734 -18.8175 TIMING: 631200 CPU: 1869.38, 0.00298578/step Wall: 1869.38, 0.00298578/step, 3.62341 hours remaining, 205.210938 MB of memory in use. ENERGY: 631200 762.9890 2041.8937 1956.3832 111.8736 -206520.3356 17883.6268 0.0000 0.0000 34406.1285 -149357.4408 300.4773 -183763.5693 -149255.1457 299.6260 5.7694 37.4283 557235.7807 2.4257 2.5008 PRESSURE: 631400 -34.5443 -51.8703 -77.0329 -51.8714 -85.1712 -56.6983 -77.0317 -56.6971 -219.254 GPRESSURE: 631400 -5.73668 -0.46697 -122.042 -85.4074 -62.2305 26.6691 -129.992 -70.0083 -171.58 PRESSAVG: 631400 -2.2787 -8.50122 -62.6176 -8.50127 40.0583 -48.6299 -62.6175 -48.63 -56.2045 GPRESSAVG: 631400 -3.77779 -8.41674 -64.8553 -7.28338 40.735 -47.4478 -62.0355 -49.1156 -55.0199 TIMING: 631400 CPU: 1869.97, 0.00298264/step Wall: 1869.97, 0.00298264/step, 3.61943 hours remaining, 205.210938 MB of memory in use. ENERGY: 631400 776.8294 2126.2872 1974.2240 109.7962 -206042.9397 17669.4828 0.0000 0.0000 34074.2707 -149312.0495 297.5791 -183386.3201 -149222.2238 299.0527 -112.9898 -79.8492 557674.5483 -6.1416 -6.0209 PRESSURE: 631600 -75.4699 -51.5675 -63.3014 -51.568 -35.9109 67.4629 -63.3008 67.4641 -30.5251 GPRESSURE: 631600 -46.204 31.6092 12.3377 -44.0436 -29.8226 35.8881 -35.3307 46.3928 24.3054 PRESSAVG: 631600 13.541 -36.7061 2.52922 -36.7061 29.1045 -12.598 2.52917 -12.5979 -104.162 GPRESSAVG: 631600 13.9091 -37.5957 4.23359 -35.6055 29.9062 -14.3449 0.474381 -13.0412 -104.792 TIMING: 631600 CPU: 1870.57, 0.00298983/step Wall: 1870.57, 0.00298983/step, 3.62799 hours remaining, 205.210938 MB of memory in use. ENERGY: 631600 768.8997 2079.0659 1950.8773 105.8821 -206171.6617 17766.2339 0.0000 0.0000 34252.9754 -149247.7273 299.1398 -183500.7027 -149153.5864 298.5217 -47.3020 -17.2404 556759.9929 -20.5054 -20.3254 PRESSURE: 631800 40.4853 -36.2119 -123.01 -36.2129 -119.63 1.20406 -123.011 1.20327 66.9054 GPRESSURE: 631800 68.2554 19.1497 -78.9929 -56.3119 -58.3772 -3.20758 -72.7595 -13.2002 78.4808 PRESSAVG: 631800 32.7973 -0.8498 -49.622 -0.849793 6.04392 -48.4601 -49.6221 -48.46 -46.5641 GPRESSAVG: 631800 34.2473 -0.855444 -49.7645 -2.58271 4.65041 -49.5911 -48.7328 -47.7895 -46.6156 TIMING: 631800 CPU: 1871.16, 0.00296811/step Wall: 1871.16, 0.00296811/step, 3.60147 hours remaining, 205.210938 MB of memory in use. ENERGY: 631800 733.4730 2127.5377 1964.1734 122.0072 -206184.2455 17743.9277 0.0000 0.0000 34167.5422 -149325.5844 298.3936 -183493.1265 -149225.7864 298.9483 -4.0799 29.4530 556986.0411 -2.5743 -2.5726 PRESSURE: 632000 -48.7926 71.9665 -12.743 71.9674 -31.7575 69.2719 -12.7437 69.2717 -96.2619 GPRESSURE: 632000 -12.1832 113.928 8.80063 45.6588 -35.1111 4.51921 -33.8553 101.87 -35.6821 PRESSAVG: 632000 12.8949 -36.6743 -22.5216 -36.6743 15.1346 -28.6397 -22.5216 -28.6397 -35.2154 GPRESSAVG: 632000 11.5363 -34.6997 -22.0556 -37.9013 15.662 -30.6676 -23.4383 -27.9479 -35.2492 TIMING: 632000 CPU: 1871.75, 0.00294156/step Wall: 1871.75, 0.00294156/step, 3.56909 hours remaining, 205.210938 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: 632000 741.9578 2097.8917 1954.8171 119.4494 -205843.7806 17709.8010 0.0000 0.0000 33978.1793 -149241.6841 296.7399 -183219.8634 -149147.3075 298.7518 -58.9374 -27.6588 558553.4500 -2.3953 -2.6836 PRESSURE: 632200 -96.7346 -150.358 -85.6842 -150.357 -172.604 -122.957 -85.6842 -122.957 -152.772 GPRESSURE: 632200 -131.405 -122.917 -37.7974 -104.335 -73.5334 -67.0879 -90.0718 -76.9749 -132.125 PRESSAVG: 632200 104.854 -5.80846 -8.60405 -5.8084 -45.3175 -4.04321 -8.60406 -4.04326 -48.9437 GPRESSAVG: 632200 105.189 -6.64388 -10.1275 -3.87279 -45.5436 -2.032 -7.84118 -5.50824 -49.2349 TIMING: 632200 CPU: 1872.35, 0.00297124/step Wall: 1872.35, 0.00297124/step, 3.60494 hours remaining, 205.210938 MB of memory in use. ENERGY: 632200 786.3930 2053.6217 1953.9549 117.8867 -205968.9056 17692.2015 0.0000 0.0000 34267.8667 -149096.9810 299.2698 -183364.8477 -148995.5637 299.3230 -140.7037 -112.3546 559189.1776 3.5308 3.4701 LDB: ============= START OF LOAD BALANCING ============== 1875.78 LDB: ============== END OF LOAD BALANCING =============== 1875.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1875.78 LDB: ============= START OF LOAD BALANCING ============== 1876.08 LDB: Largest compute 4848 load 0.029793 is 25.3% of average load 0.117802 LDB: Average compute 0.001731 is 1.5% of average load 0.117802 LDB: TIME 1876.08 LOAD: AVG 0.117802 MAX 0.19775 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.52 MB LDB: TIME 1876.08 LOAD: AVG 0.117802 MAX 0.19775 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.52 MB LDB: TIME 1876.08 LOAD: AVG 0.117802 MAX 0.19775 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.52 MB LDB: ============== END OF LOAD BALANCING =============== 1876.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1876.08 PRESSURE: 632400 -159.029 -107.819 20.5308 -107.819 240.283 123.859 20.5317 123.859 -328.442 GPRESSURE: 632400 -66.4803 -32.8035 -71.7917 -118.31 215.9 138.941 55.3012 98.2 -296.601 PRESSAVG: 632400 43.4467 -13.8896 41.3136 -13.8896 72.5743 32.1828 41.3137 32.1829 -76.7632 GPRESSAVG: 632400 44.455 -14.5832 41.0321 -15.6778 72.0914 33.7591 41.9376 31.0519 -77.1073 TIMING: 632400 CPU: 1872.96, 0.00304332/step Wall: 1872.96, 0.00304332/step, 3.69223 hours remaining, 206.492188 MB of memory in use. ENERGY: 632400 726.1366 2096.6935 1935.8218 112.0018 -206240.2109 17857.6535 0.0000 0.0000 34519.1561 -148992.7476 301.4644 -183511.9037 -148897.1280 299.7747 -82.3961 -49.0605 558102.3743 13.0859 13.1464 PRESSURE: 632600 -140.128 145.813 26.3899 145.813 292.499 -13.8262 26.3884 -13.8264 335.07 GPRESSURE: 632600 -83.4506 182.962 -26.9991 91.8503 295.175 -124.099 17.3527 23.5342 367.762 PRESSAVG: 632600 14.7215 33.5582 -16.7733 33.5582 -1.46253 40.3914 -16.7732 40.3914 -56.3682 GPRESSAVG: 632600 14.1471 31.5231 -17.446 35.2729 -1.15197 39.2621 -16.7166 40.6326 -56.6695 TIMING: 632600 CPU: 1873.55, 0.00298394/step Wall: 1873.55, 0.00298394/step, 3.62002 hours remaining, 206.492188 MB of memory in use. ENERGY: 632600 777.5593 2115.4515 1949.0717 114.4079 -206403.4722 18114.9350 0.0000 0.0000 34187.2007 -149144.8461 298.5653 -183332.0468 -149047.0261 299.5588 162.4801 193.1621 557310.2679 -14.3697 -14.5581 PRESSURE: 632800 -271.627 -113.471 124.565 -113.469 -412.872 180.151 124.564 180.153 -275.759 GPRESSURE: 632800 -222.728 -78.6941 80.0047 -174.428 -371.971 57.7997 163.792 240.45 -269.396 PRESSAVG: 632800 -58.157 27.9864 6.53455 27.9865 12.2547 -33.7873 6.53457 -33.7873 79.6368 GPRESSAVG: 632800 -59.2232 29.6442 8.64142 26.3233 12.3446 -32.7338 5.68358 -33.6932 80.3199 TIMING: 632800 CPU: 1874.14, 0.00294508/step Wall: 1874.14, 0.00294508/step, 3.5727 hours remaining, 206.492188 MB of memory in use. ENERGY: 632800 763.8071 2171.0278 1928.5091 110.4494 -205203.1623 17189.5398 0.0000 0.0000 34011.1432 -149028.6858 297.0278 -183039.8290 -148939.9182 299.7680 -320.0858 -288.0314 560802.4315 11.2448 11.1471 PRESSURE: 633000 -11.3574 45.5008 163.036 45.5015 -145.616 34.6768 163.037 34.6745 96.1869 GPRESSURE: 633000 28.7591 8.3077 129.372 78.928 -74.2628 -21.8697 160.653 0.973866 77.5093 PRESSAVG: 633000 -28.2793 24.8204 0.88912 24.8204 -66.0159 48.2511 0.889099 48.251 28.9521 GPRESSAVG: 633000 -28.1255 25.5968 1.0176 25.1007 -65.3421 50.2562 0.13736 48.0629 28.8218 TIMING: 633000 CPU: 1874.73, 0.00294705/step Wall: 1874.73, 0.00294705/step, 3.57494 hours remaining, 206.492188 MB of memory in use. ENERGY: 633000 725.2820 2078.7494 1951.0705 109.3812 -205733.3377 17638.3043 0.0000 0.0000 34512.3960 -148718.1543 301.4053 -183230.5502 -148621.5123 300.4056 -20.2621 10.6685 559060.8282 -21.7810 -21.5486 PRESSURE: 633200 40.6258 60.7541 32.6503 60.7549 -110.686 -77.6382 32.6513 -77.6371 -287.614 GPRESSURE: 633200 31.0344 138.615 -11.1386 40.2691 -76.151 -61.004 -24.6284 -141.029 -208.194 PRESSAVG: 633200 -11.0406 -11.1504 -16.1095 -11.1505 -13.842 -79.6183 -16.1095 -79.6183 -26.0088 GPRESSAVG: 633200 -10.9417 -10.3315 -16.1417 -7.75897 -14.3365 -81.358 -14.9828 -78.2329 -24.9381 TIMING: 633200 CPU: 1875.32, 0.00296392/step Wall: 1875.32, 0.00296392/step, 3.59524 hours remaining, 206.492188 MB of memory in use. ENERGY: 633200 734.5877 2125.0166 1951.9841 126.2854 -205330.6998 17372.5054 0.0000 0.0000 34460.3689 -148559.9517 300.9510 -183020.3206 -148462.9126 300.6917 -119.2247 -84.4367 558911.8403 -16.9638 -16.7388 PRESSURE: 633400 74.0479 8.84193 40.927 8.8417 -127.293 -95.1429 40.9277 -95.1433 184.78 GPRESSURE: 633400 88.6197 14.61 66.6131 -15.0593 -65.6329 -121.222 -21.8852 -76.0983 203.419 PRESSAVG: 633400 39.212 -6.64954 -86.0898 -6.64955 -5.9091 44.9895 -86.0898 44.9895 -7.4253 GPRESSAVG: 633400 40.3046 -7.52851 -87.4741 -7.89276 -6.69362 44.1729 -84.9256 43.0219 -7.44906 TIMING: 633400 CPU: 1875.91, 0.00294684/step Wall: 1875.91, 0.00294684/step, 3.57435 hours remaining, 206.492188 MB of memory in use. ENERGY: 633400 736.5404 2078.1345 1939.8339 116.4487 -205672.8410 17823.6975 0.0000 0.0000 34307.1555 -148671.0305 299.6129 -182978.1861 -148570.4654 300.2391 43.8447 75.4685 559271.7403 8.6259 8.7206 PRESSURE: 633600 -9.79974 24.3155 -141.646 24.3152 93.2748 70.8271 -141.646 70.8265 -243.333 GPRESSURE: 633600 23.8257 -30.3013 -80.9092 42.3273 158.083 83.8373 -176.5 47.4086 -249.747 PRESSAVG: 633600 -5.38428 -7.70101 -51.6958 -7.70097 18.4115 30.6439 -51.6959 30.644 14.8921 GPRESSAVG: 633600 -6.48058 -8.69716 -51.2781 -9.32881 19.7981 31.005 -53.1704 31.0221 14.979 TIMING: 633600 CPU: 1876.51, 0.00296589/step Wall: 1876.51, 0.00296589/step, 3.59729 hours remaining, 206.492188 MB of memory in use. ENERGY: 633600 757.6118 2032.3685 1966.4176 99.2776 -205775.7793 17800.4701 0.0000 0.0000 34389.0219 -148730.6117 300.3279 -183119.6336 -148637.5353 300.6200 -53.2860 -22.6126 559538.1259 9.3064 9.4322 PRESSURE: 633800 -132.741 -38.7583 -89.1092 -38.7591 -156.354 134.249 -89.1099 134.248 -73.5893 GPRESSURE: 633800 -111.865 -54.0307 -72.1318 -72.0311 -100.528 113.169 -124.416 152.967 -49.4115 PRESSAVG: 633800 -27.439 29.2703 24.4536 29.2704 14.9332 3.4289 24.4536 3.42892 7.88106 GPRESSAVG: 633800 -26.9409 29.914 24.6141 27.6864 14.2409 2.04137 25.5686 4.82978 7.85435 TIMING: 633800 CPU: 1877.1, 0.00296387/step Wall: 1877.1, 0.00296387/step, 3.59468 hours remaining, 206.492188 MB of memory in use. ENERGY: 633800 780.3768 2119.4864 1965.0987 111.4382 -205440.0691 17517.5485 0.0000 0.0000 34430.6828 -148515.4377 300.6917 -182946.1205 -148421.3945 300.2559 -120.8947 -87.2682 558567.5717 -1.5416 -1.6152 PRESSURE: 634000 85.8959 -21.0185 62.8013 -21.0174 39.7772 118.419 62.8013 118.419 -33.7411 GPRESSURE: 634000 181.065 -31.071 85.0452 74.7678 60.9629 150.758 92.6327 93.352 -52.6562 PRESSAVG: 634000 -20.6784 45.4851 -32.0683 45.4851 -10.9817 73.5745 -32.0684 73.5746 43.3029 GPRESSAVG: 634000 -21.1058 46.7421 -33.4162 47.9147 -10.0171 73.7323 -33.182 73.2071 43.0044 TIMING: 634000 CPU: 1877.68, 0.00293104/step Wall: 1877.68, 0.00293104/step, 3.5547 hours remaining, 206.492188 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: 634000 767.9503 2098.4250 1988.3544 110.2540 -206062.4684 17940.1152 0.0000 0.0000 34699.6249 -148457.7446 303.0405 -183157.3695 -148352.9567 301.5937 30.6440 63.1240 558542.0430 3.8809 3.9605 PRESSURE: 634200 26.4304 -82.9848 7.07801 -82.9863 -80.8714 105.229 7.07649 105.227 325.736 GPRESSURE: 634200 -6.51132 -4.05143 5.37989 -117.697 -5.94282 222.179 15.2941 88.6431 367.822 PRESSAVG: 634200 11.3048 4.80443 -19.3256 4.80445 -22.6538 51.0924 -19.3256 51.0924 -4.01291 GPRESSAVG: 634200 11.9864 2.62666 -16.5168 3.55255 -22.9758 52.8558 -20.3679 50.1686 -4.57993 TIMING: 634200 CPU: 1878.27, 0.00293569/step Wall: 1878.27, 0.00293569/step, 3.56018 hours remaining, 206.492188 MB of memory in use. ENERGY: 634200 721.1238 2161.0818 1981.5591 110.6440 -205755.6933 17782.5148 0.0000 0.0000 34419.7358 -148579.0340 300.5961 -182998.7698 -148484.1166 302.0598 90.4316 118.4559 558880.9602 -5.1206 -5.1898 PRESSURE: 634400 -110.036 28.1179 -105.198 28.1154 115.124 180.803 -105.197 180.804 95.1293 GPRESSURE: 634400 -78.1365 51.8661 -131.771 -28.5275 126.115 115.221 4.55737 142.416 154.501 PRESSAVG: 634400 -0.259901 -14.2073 74.9894 -14.2073 -4.31485 61.128 74.9894 61.1279 -14.4809 GPRESSAVG: 634400 -2.11337 -12.9706 74.4719 -12.5868 -5.37678 59.2285 77.1984 63.2954 -11.8311 TIMING: 634400 CPU: 1878.87, 0.00297045/step Wall: 1878.87, 0.00297045/step, 3.60217 hours remaining, 206.492188 MB of memory in use. ENERGY: 634400 714.3913 2171.0320 1945.4865 113.0646 -205700.5520 17726.7169 0.0000 0.0000 34568.1956 -148461.6651 301.8926 -183029.8607 -148359.0455 300.8367 33.4058 67.4932 558161.7927 -6.3519 -6.4404 PRESSURE: 634600 -107.46 -123.131 -18.2969 -123.131 -8.06386 -41.0216 -18.295 -41.0219 -54.3642 GPRESSURE: 634600 -98.5994 -120.292 24.025 -43.1159 5.88435 -62.9394 -126.462 -50.8566 21.4002 PRESSAVG: 634600 17.9798 -19.446 -11.9586 -19.446 -13.2525 -10.6371 -11.9587 -10.6371 -14.9878 GPRESSAVG: 634600 18.0937 -20.0707 -12.5478 -20.1769 -12.1116 -9.67453 -12.1964 -10.868 -15.8436 TIMING: 634600 CPU: 1879.46, 0.00297116/step Wall: 1879.46, 0.00297116/step, 3.60286 hours remaining, 206.492188 MB of memory in use. ENERGY: 634600 762.9408 2139.1343 1945.1881 94.4347 -205762.1957 17754.0858 0.0000 0.0000 34436.6347 -148629.7773 300.7437 -183066.4120 -148536.3349 301.5307 -56.6293 -23.7716 558211.5266 -3.4201 -3.2872 PRESSURE: 634800 -3.46768 -152.031 -5.50934 -152.03 184.081 89.7225 -5.50915 89.725 -57.6693 GPRESSURE: 634800 -25.3377 -177.976 -26.7777 -91.8607 199.498 194.818 92.2638 58.0771 40.4843 PRESSAVG: 634800 9.13892 52.3136 -10.5693 52.3136 104.275 -26.4215 -10.5693 -26.4216 -91.2323 GPRESSAVG: 634800 8.86597 52.075 -10.5522 54.5047 104.282 -27.0115 -10.0958 -26.5322 -91.2461 TIMING: 634800 CPU: 1880.05, 0.00297191/step Wall: 1880.05, 0.00297191/step, 3.6036 hours remaining, 206.492188 MB of memory in use. ENERGY: 634800 774.8157 2169.6910 1937.0176 112.8712 -205959.2875 17892.8308 0.0000 0.0000 34659.4825 -148412.5787 302.6899 -183072.0612 -148309.5294 301.4639 40.9813 71.5483 559275.1204 7.3938 7.3007 PRESSURE: 635000 79.8471 -178.879 -24.5842 -178.88 -20.8511 -118.808 -24.5848 -118.808 -41.7353 GPRESSURE: 635000 118.275 -33.7442 -41.0021 -235.534 3.50333 -106.156 -145.655 -105.315 -8.08687 PRESSAVG: 635000 -35.1754 33.5664 -47.7359 33.5664 40.6446 4.64793 -47.7359 4.64785 33.077 GPRESSAVG: 635000 -34.0363 34.9525 -47.6029 31.3739 40.4014 5.43544 -48.7497 2.45336 31.5863 TIMING: 635000 CPU: 1880.65, 0.00295466/step Wall: 1880.65, 0.00295466/step, 3.58253 hours remaining, 206.492188 MB of memory in use. ENERGY: 635000 751.5519 2140.2605 1969.2319 109.3681 -205945.7941 17766.3881 0.0000 0.0000 34633.8069 -148575.1869 302.4656 -183208.9938 -148468.2077 302.4178 5.7535 37.8970 558348.1362 12.8487 12.6505 PRESSURE: 635200 118.458 -23.2615 -1.47315 -23.262 -13.6822 -153.734 -1.47404 -153.734 113.652 GPRESSURE: 635200 132.879 -63.6352 45.2992 -11.5423 64.8221 -187.768 23.8487 -134.87 124.357 PRESSAVG: 635200 -11.5494 47.2904 42.5487 47.2905 80.8425 -4.31491 42.5487 -4.31483 -54.7807 GPRESSAVG: 635200 -11.7946 46.6494 41.7543 47.9162 80.4921 -6.27925 43.6811 -1.90293 -54.7986 TIMING: 635200 CPU: 1881.24, 0.00297084/step Wall: 1881.24, 0.00297084/step, 3.60198 hours remaining, 206.492188 MB of memory in use. ENERGY: 635200 758.8625 2135.7754 1966.7489 113.8053 -205804.0286 17776.9681 0.0000 0.0000 34314.9418 -148736.9266 299.6809 -183051.8684 -148639.1505 300.9354 72.8094 107.3524 557624.9000 4.8375 4.6330 PRESSURE: 635400 -151.57 -7.969 -35.7723 -7.96894 -40.1884 -16.9061 -35.7729 -16.9059 179.414 GPRESSURE: 635400 -77.0405 -64.3176 -24.6518 -12.016 5.25256 -65.8092 -60.492 48.5158 157.195 PRESSAVG: 635400 10.2655 35.9123 46.3515 35.9123 -50.0338 2.70517 46.3515 2.70517 25.8163 GPRESSAVG: 635400 9.99089 36.9242 47.8384 34.3942 -49.6371 3.39715 44.5024 1.51343 25.7686 TIMING: 635400 CPU: 1881.83, 0.00297695/step Wall: 1881.83, 0.00297695/step, 3.60922 hours remaining, 206.492188 MB of memory in use. ENERGY: 635400 745.2035 2093.4864 1964.3625 110.6554 -206022.3764 17709.7007 0.0000 0.0000 34467.9570 -148931.0109 301.0172 -183398.9679 -148833.3873 300.0399 -4.1149 28.4692 557249.7845 -4.6507 -4.6259 PRESSURE: 635600 -148.215 13.5246 151.975 13.5232 -153.488 89.4863 151.975 89.4879 -113.054 GPRESSURE: 635600 -84.6002 -40.1283 78.3497 58.6487 -113.578 26.0912 122.08 51.8765 -124.938 PRESSAVG: 635600 -10.9394 -42.6074 -35.4123 -42.6074 45.4262 0.664093 -35.4124 0.664082 -14.7781 GPRESSAVG: 635600 -11.2959 -43.4304 -36.551 -42.5541 44.829 2.1689 -34.6435 -1.47375 -13.928 TIMING: 635600 CPU: 1882.43, 0.00295965/step Wall: 1882.43, 0.00295965/step, 3.58808 hours remaining, 206.492188 MB of memory in use. ENERGY: 635600 732.3279 2107.7534 1957.4804 116.6045 -205632.1885 17481.4223 0.0000 0.0000 34295.7988 -148940.8011 299.5137 -183236.6000 -148842.9736 299.4083 -138.2522 -107.7056 559275.3669 6.5696 6.5350 PRESSURE: 635800 -357.441 -149.886 120.833 -149.886 -279.185 -55.869 120.833 -55.8688 -419.303 GPRESSURE: 635800 -312.869 -177.008 85.328 -198.688 -256.26 22.1086 6.74051 -122.529 -385.669 PRESSAVG: 635800 29.3291 -41.5997 17.4663 -41.5997 22.3348 -9.91009 17.4663 -9.91024 -32.9602 GPRESSAVG: 635800 29.8136 -43.838 18.0633 -41.0783 22.4444 -8.82689 16.2452 -8.54945 -33.594 TIMING: 635800 CPU: 1883.02, 0.00297085/step Wall: 1883.02, 0.00297085/step, 3.6015 hours remaining, 206.492188 MB of memory in use. ENERGY: 635800 770.3452 2115.5471 1948.6441 112.3501 -205535.4840 17309.3668 0.0000 0.0000 34222.2444 -149056.9864 298.8714 -183279.2308 -148964.5959 299.8294 -351.9762 -318.2660 558835.1513 6.2345 6.2213 PRESSURE: 636000 -197.929 -157.015 215.24 -157.015 -51.6248 -92.1506 215.239 -92.1507 -136.04 GPRESSURE: 636000 -245.836 -188.442 95.0181 -149.374 27.6883 -103.958 271.989 -75.7152 -83.5984 PRESSAVG: 636000 20.3872 -26.1981 -39.3718 -26.198 -14.4956 -34.4615 -39.3719 -34.4615 -40.6254 GPRESSAVG: 636000 20.608 -26.0821 -40.3412 -25.873 -14.8468 -35.9698 -39.545 -33.7848 -41.0929 TIMING: 636000 CPU: 1883.61, 0.00296017/step Wall: 1883.61, 0.00296017/step, 3.58839 hours remaining, 206.492188 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: 636000 754.5694 2115.9133 1954.2154 107.7967 -205917.9130 17529.1781 0.0000 0.0000 34507.6122 -148948.6278 301.3636 -183456.2400 -148854.7058 299.9234 -128.5313 -100.5821 558942.5847 -11.5779 -11.7773 PRESSURE: 636200 -30.0496 -26.29 -7.35054 -26.2898 -34.2301 -42.4412 -7.34931 -42.4421 165.006 GPRESSURE: 636200 -1.53731 -69.1217 -86.0516 -15.0271 -30.54 34.9116 20.4875 -40.8821 220.536 PRESSAVG: 636200 33.9985 -42.7924 30.2997 -42.7924 -6.59826 54.431 30.2998 54.431 9.05241 GPRESSAVG: 636200 34.5502 -42.6928 31.0512 -42.1279 -6.2164 53.2428 30.5026 53.0119 8.08585 TIMING: 636200 CPU: 1884.21, 0.00296393/step Wall: 1884.21, 0.00296393/step, 3.59278 hours remaining, 206.492188 MB of memory in use. ENERGY: 636200 748.8160 2108.6763 1951.3951 107.5522 -205873.7273 17713.6029 0.0000 0.0000 34119.9048 -149123.7800 297.9776 -183243.6848 -149027.4200 300.2317 33.5754 62.8195 557741.4304 12.1509 12.1399 LDB: ============= START OF LOAD BALANCING ============== 1887.63 LDB: ============== END OF LOAD BALANCING =============== 1887.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1887.63 LDB: ============= START OF LOAD BALANCING ============== 1887.93 LDB: Largest compute 4848 load 0.031565 is 26.8% of average load 0.117805 LDB: Average compute 0.001740 is 1.5% of average load 0.117805 LDB: TIME 1887.93 LOAD: AVG 0.117805 MAX 0.197283 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.031 MB LDB: TIME 1887.93 LOAD: AVG 0.117805 MAX 0.197283 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: TIME 1887.93 LOAD: AVG 0.117805 MAX 0.197283 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.039 MB LDB: ============== END OF LOAD BALANCING =============== 1887.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1887.94 PRESSURE: 636400 82.8968 -101.942 4.57141 -101.944 92.1344 -139.256 4.57016 -139.256 -2.91352 GPRESSURE: 636400 111.299 -148.93 40.2844 -149.5 130.621 -148.618 -11.7635 -44.7042 27.042 PRESSAVG: 636400 -26.0323 -2.34397 24.1487 -2.34399 -6.33901 -35.6972 24.1487 -35.6971 34.163 GPRESSAVG: 636400 -26.1778 -1.18323 23.5844 -5.07875 -8.19744 -37.6113 25.5066 -33.1604 36.1067 TIMING: 636400 CPU: 1884.81, 0.00301626/step Wall: 1884.81, 0.00301626/step, 3.65604 hours remaining, 205.714844 MB of memory in use. ENERGY: 636400 729.9643 2080.9244 1935.3370 110.1797 -206130.2053 17821.2116 0.0000 0.0000 34348.9672 -149103.6211 299.9781 -183452.5883 -149006.6187 298.7609 57.3726 89.6539 557550.0937 0.5972 0.5772 PRESSURE: 636600 53.7794 74.5184 -99.2723 74.5188 -11.4334 62.3143 -99.2723 62.3157 152.377 GPRESSURE: 636600 116.075 82.0776 -78.9547 34.7235 67.9521 43.4945 -126.855 72.4977 104.947 PRESSAVG: 636600 -40.0815 11.9506 1.55971 11.9507 -29.8845 -15.8276 1.55978 -15.8276 76.9948 GPRESSAVG: 636600 -39.2741 11.7019 0.774313 14.4428 -27.8664 -14.8776 -0.767486 -16.0632 74.56 TIMING: 636600 CPU: 1885.4, 0.00296117/step Wall: 1885.4, 0.00296117/step, 3.58911 hours remaining, 205.714844 MB of memory in use. ENERGY: 636600 735.9705 2027.3625 1966.6273 114.2017 -206360.5281 18080.0265 0.0000 0.0000 34259.7634 -149176.5762 299.1990 -183436.3396 -149079.0038 299.5248 64.9078 96.3248 558296.0432 2.3429 2.4732 PRESSURE: 636800 -162.327 106.875 95.8523 106.874 188.357 -83.6929 95.8517 -83.694 -124.715 GPRESSURE: 636800 -65.7633 70.7086 75.7851 106.015 211.044 -83.5666 -3.88088 -18.0577 -144.076 PRESSAVG: 636800 -8.20142 -14.7042 4.97347 -14.7044 -6.74257 -35.834 4.97352 -35.8338 65.304 GPRESSAVG: 636800 -7.53488 -15.3478 3.76489 -13.2874 -8.93204 -35.4749 8.32629 -35.7483 67.1036 TIMING: 636800 CPU: 1885.99, 0.00295855/step Wall: 1885.99, 0.00295855/step, 3.58576 hours remaining, 205.714844 MB of memory in use. ENERGY: 636800 708.5107 2102.5763 1989.5396 121.8671 -206136.9280 17824.1024 0.0000 0.0000 34227.5537 -149162.7782 298.9177 -183390.3318 -149065.9839 298.5483 -32.8948 0.4016 557934.0474 16.7867 16.8789 PRESSURE: 637000 -173.925 37.7918 86.3512 37.792 -5.9185 -86.7975 86.3517 -86.7976 -36.0281 GPRESSURE: 637000 -90.0007 60.7508 132.499 26.2682 36.1181 -106.638 79.6931 -30.8131 -52.3441 PRESSAVG: 637000 -57.2521 -30.7107 -5.22726 -30.7107 78.145 25.5176 -5.22722 25.5177 -15.2791 GPRESSAVG: 637000 -58.0384 -28.5462 -3.06629 -34.3285 79.2096 27.8639 -8.43301 24.5184 -15.4146 TIMING: 637000 CPU: 1886.59, 0.00296312/step Wall: 1886.59, 0.00296312/step, 3.59113 hours remaining, 205.714844 MB of memory in use. ENERGY: 637000 761.0325 2062.6984 1954.8977 117.4649 -205909.3658 17707.4600 0.0000 0.0000 34082.5369 -149223.2755 297.6513 -183305.8124 -149131.7573 298.8933 -71.9573 -35.4089 558645.6492 1.8713 1.9189 PRESSURE: 637200 285.391 186.069 137.13 186.068 104.302 -24.003 137.132 -24.0026 288.979 GPRESSURE: 637200 358.755 166.587 19.0214 188.435 137.476 -95.7292 144.284 108.049 280.253 PRESSAVG: 637200 -5.4396 15.6939 25.4788 15.6938 60.7742 -44.6123 25.4788 -44.6123 0.897134 GPRESSAVG: 637200 -5.68508 12.501 24.0651 15.8199 61.2816 -44.9004 28.4358 -43.4534 0.492446 TIMING: 637200 CPU: 1887.18, 0.00296038/step Wall: 1887.18, 0.00296038/step, 3.58765 hours remaining, 205.714844 MB of memory in use. ENERGY: 637200 741.9657 2073.8775 1951.3566 114.4655 -206402.2534 18216.7102 0.0000 0.0000 34249.9359 -149053.9421 299.1132 -183303.8780 -148956.8480 299.8830 226.2240 258.8279 556646.7577 18.7439 18.6963 PRESSURE: 637400 -183.966 -208.661 -55.3854 -208.66 -171.282 122.102 -55.3853 122.104 -263.5 GPRESSURE: 637400 -168.788 -138.783 -90.0309 -260.485 -138.602 86.1802 -11.0678 151.026 -212.839 PRESSAVG: 637400 -38.8744 -34.0464 10.8843 -34.0463 59.7428 -28.8032 10.8844 -28.8032 -29.876 GPRESSAVG: 637400 -39.3671 -32.2892 11.3902 -33.7847 59.8345 -28.4766 11.3593 -29.8745 -29.6291 TIMING: 637400 CPU: 1887.77, 0.00298148/step Wall: 1887.77, 0.00298148/step, 3.61305 hours remaining, 205.714844 MB of memory in use. ENERGY: 637400 716.6350 2057.5167 1952.6812 110.0282 -205415.4406 17232.3763 0.0000 0.0000 34168.7689 -149177.4344 298.4044 -183346.2033 -149081.2619 299.7376 -206.2493 -173.4097 556892.1614 -3.0025 -3.0539 PRESSURE: 637600 -95.9561 -23.5714 174.194 -23.5705 -108.1 -50.6671 174.194 -50.6672 153.672 GPRESSURE: 637600 -52.3147 -8.06389 179.437 55.176 -87.0924 -17.9976 97.4127 -42.7859 183.174 PRESSAVG: 637600 -42.9836 24.5346 -8.89858 24.5347 44.8652 -42.6121 -8.89861 -42.6122 21.2337 GPRESSAVG: 637600 -43.5266 23.6063 -8.4874 27.8916 44.6914 -44.3415 -10.5781 -41.055 21.6541 TIMING: 637600 CPU: 1888.37, 0.00298373/step Wall: 1888.37, 0.00298373/step, 3.61562 hours remaining, 205.714844 MB of memory in use. ENERGY: 637600 737.4913 2106.4756 1957.5003 123.2847 -206303.0328 17743.2515 0.0000 0.0000 34491.1082 -149143.9212 301.2194 -183635.0294 -149045.8894 299.1634 -16.7945 14.5890 556134.8047 7.7051 7.6063 PRESSURE: 637800 52.6971 -36.989 -3.15204 -36.9883 -236.397 197.482 -3.15184 197.48 70.808 GPRESSURE: 637800 63.2947 -49.2258 21.7381 1.27596 -137.874 255.144 39.2354 120.664 58.2007 PRESSAVG: 637800 8.75961 21.0463 -14.6601 21.0463 -1.55724 -29.9312 -14.6602 -29.9313 -5.46491 GPRESSAVG: 637800 9.62687 20.7363 -13.8602 17.9079 -1.81821 -27.1109 -12.8027 -32.4678 -5.49179 TIMING: 637800 CPU: 1888.97, 0.00300142/step Wall: 1888.97, 0.00300142/step, 3.63688 hours remaining, 205.714844 MB of memory in use. ENERGY: 637800 740.6659 2157.5616 1926.5274 96.5231 -205996.9783 17624.9787 0.0000 0.0000 34198.3947 -149252.3270 298.6631 -183450.7216 -149156.9058 299.7422 -37.6306 -5.4594 558037.7273 0.5792 0.7723 PRESSURE: 638000 -184.222 47.4024 -8.13922 47.4026 -250.373 1.67186 -8.13945 1.67251 -100.345 GPRESSURE: 638000 -189.135 24.297 -14.8455 18.0836 -223.264 77.6506 20.7601 -20.366 -31.4306 PRESSAVG: 638000 -19.921 71.8022 20.7188 71.8023 19.7429 48.8876 20.7189 48.8874 -18.3024 GPRESSAVG: 638000 -18.5273 73.0601 23.7788 72.8913 20.3562 46.097 17.8468 49.8727 -20.4443 TIMING: 638000 CPU: 1889.57, 0.00298067/step Wall: 1889.57, 0.00298067/step, 3.61157 hours remaining, 205.714844 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: 638000 795.5570 2121.1575 1941.4413 124.0111 -205977.7600 17634.3045 0.0000 0.0000 34074.6192 -149286.6694 297.5821 -183361.2886 -149187.0296 299.2033 -178.3134 -147.9430 558490.8845 -6.1602 -6.2051 PRESSURE: 638200 46.5796 67.6794 -82.065 67.6779 -240.744 -82.1302 -82.0661 -82.1293 228.439 GPRESSURE: 638200 171.002 178.859 -72.5521 50.5576 -271.543 -85.4014 -28.7898 -71.2577 230.597 PRESSAVG: 638200 2.9742 27.0983 12.3964 27.0983 -19.2591 -1.85216 12.3965 -1.85212 10.8456 GPRESSAVG: 638200 2.23499 27.0632 9.47985 27.6097 -19.8831 -0.644394 14.216 0.0842467 12.1541 TIMING: 638200 CPU: 1890.17, 0.00299516/step Wall: 1890.17, 0.00299516/step, 3.62897 hours remaining, 205.714844 MB of memory in use. ENERGY: 638200 750.9977 2099.2620 1946.7264 116.0929 -206364.3665 17849.6978 0.0000 0.0000 34253.7239 -149347.8657 299.1463 -183601.5896 -149244.6762 298.5611 11.4247 43.3522 557484.5577 -1.8131 -1.8313 PRESSURE: 638400 438.812 0.0545875 -33.1985 0.0532184 162.677 -80.6017 -33.1976 -80.6014 119.847 GPRESSURE: 638400 495.228 -100.441 -28.8277 -16.7169 179.648 -78.8493 -24.5633 -64.5914 131.174 PRESSAVG: 638400 -10.4794 -7.77483 -12.7534 -7.77484 29.9918 15.4949 -12.7534 15.495 -21.6438 GPRESSAVG: 638400 -10.5535 -10.0392 -13.8156 -6.01819 28.9439 13.5429 -12.7297 15.8513 -20.8594 TIMING: 638400 CPU: 1890.76, 0.00298561/step Wall: 1890.76, 0.00298561/step, 3.61724 hours remaining, 205.714844 MB of memory in use. ENERGY: 638400 702.7861 2145.1009 1956.4203 105.1470 -206665.4942 18144.7244 0.0000 0.0000 34269.6955 -149341.6199 299.2858 -183611.3154 -149245.5497 299.2138 240.4456 268.6835 557459.4927 -0.7105 -0.8230 PRESSURE: 638600 -375.951 91.4437 62.3383 91.4447 -54.2888 -121.122 62.3368 -121.124 -121.694 GPRESSURE: 638600 -266.673 86.2468 98.7904 55.2538 -40.6289 -134.881 90.0255 -148.598 -158.749 PRESSAVG: 638600 23.5772 -17.2543 21.1023 -17.2543 11.5419 -39.8217 21.1023 -39.8217 -49.1915 GPRESSAVG: 638600 23.4987 -16.7349 21.6786 -18.6733 11.513 -38.8897 19.953 -40.6892 -49.0674 TIMING: 638600 CPU: 1891.36, 0.0029877/step Wall: 1891.36, 0.0029877/step, 3.61959 hours remaining, 205.714844 MB of memory in use. ENERGY: 638600 767.3184 2117.3421 1961.9798 118.1220 -206099.1644 17514.6602 0.0000 0.0000 34394.4491 -149225.2929 300.3753 -183619.7420 -149132.1570 299.4848 -183.9777 -155.3503 557136.4814 -4.6908 -4.6852 PRESSURE: 638800 173.795 -25.4047 142.368 -25.4038 56.5808 -185.235 142.367 -185.236 188.056 GPRESSURE: 638800 175.633 37.8108 139.463 -61.1923 138.82 -240.783 211.572 -125.574 194.992 PRESSAVG: 638800 -34.6179 27.262 19.0484 27.262 -19.5866 -42.6794 19.0484 -42.6793 39.3687 GPRESSAVG: 638800 -34.2471 27.8412 19.5837 28.8369 -18.527 -41.6962 19.3901 -43.8229 37.9746 TIMING: 638800 CPU: 1891.96, 0.0029945/step Wall: 1891.96, 0.0029945/step, 3.62767 hours remaining, 205.714844 MB of memory in use. ENERGY: 638800 748.8388 2112.5271 1933.0410 114.1997 -206252.3204 17972.6913 0.0000 0.0000 34075.8801 -149295.1423 297.5931 -183371.0224 -149195.5667 299.1168 139.4773 169.8152 555422.0582 -4.9452 -4.9332 PRESSURE: 639000 -324.143 98.951 88.5732 98.95 -53.7249 -115.271 88.5727 -115.274 -381.469 GPRESSURE: 639000 -274.102 102.296 116.851 178.437 -33.205 -108.665 57.6861 -56.122 -357.909 PRESSAVG: 639000 4.43336 17.1053 82.1387 17.1053 -57.0017 2.99761 82.1387 2.99765 12.7907 GPRESSAVG: 639000 4.99401 18.5102 82.1729 15.6349 -56.9423 4.71427 81.1183 2.91288 12.4844 TIMING: 639000 CPU: 1892.55, 0.00296995/step Wall: 1892.55, 0.00296995/step, 3.59777 hours remaining, 205.714844 MB of memory in use. ENERGY: 639000 795.3775 2020.3199 1920.7005 115.2909 -205665.8467 17533.8441 0.0000 0.0000 33950.3749 -149329.9388 296.4971 -183280.3137 -149231.7483 298.9758 -253.1123 -221.7385 558779.5037 -13.2592 -13.1546 PRESSURE: 639200 5.6036 144.111 -99.3904 144.111 -147.57 -110.136 -99.3899 -110.136 -130.135 GPRESSURE: 639200 54.3728 35.4877 -122.986 141.534 -124.148 -3.70355 -80.1495 -118.776 -114.421 PRESSAVG: 639200 -43.4102 61.4462 -31.7129 61.4463 53.7216 -0.793785 -31.7129 -0.79384 10.3605 GPRESSAVG: 639200 -43.9078 59.8978 -32.1466 60.021 53.2977 -1.46333 -29.2046 0.0054685 11.5859 TIMING: 639200 CPU: 1893.15, 0.00297232/step Wall: 1893.15, 0.00297232/step, 3.60047 hours remaining, 205.714844 MB of memory in use. ENERGY: 639200 749.1293 2065.3841 1938.3616 118.3688 -206256.2835 17789.7327 0.0000 0.0000 34208.7298 -149386.5774 298.7533 -183595.3071 -149292.1258 298.3289 -90.7007 -61.3989 557541.7463 6.8906 6.9920 PRESSURE: 639400 -82.4882 56.0256 95.1148 56.0255 -81.4144 19.1367 95.1152 19.137 37.3245 GPRESSURE: 639400 -55.0431 47.1506 122.489 109.238 -14.786 -19.5517 80.4658 -13.2754 35.3335 PRESSAVG: 639400 14.7875 27.1167 39.1718 27.1167 -28.045 21.7761 39.1717 21.7763 28.0861 GPRESSAVG: 639400 15.1292 28.5464 40.2895 28.593 -28.0818 22.1103 37.1422 20.5845 27.6672 TIMING: 639400 CPU: 1893.74, 0.0029821/step Wall: 1893.74, 0.0029821/step, 3.61216 hours remaining, 205.714844 MB of memory in use. ENERGY: 639400 772.1901 2034.3124 1929.6496 124.0604 -206435.3099 17975.6499 0.0000 0.0000 33995.7778 -149603.6697 296.8936 -183599.4475 -149507.6750 298.8384 -42.1927 -11.4986 557768.3055 4.9429 4.9049 PRESSURE: 639600 -57.7062 83.0311 -85.3458 83.0319 -7.52927 -24.7271 -85.3468 -24.7294 47.5005 GPRESSURE: 639600 -32.2749 136.065 -60.6923 -59.44 57.1427 56.6222 -103.803 17.4119 28.8178 PRESSAVG: 639600 -17.0904 34.0186 49.5863 34.0185 43.8889 41.6371 49.5864 41.637 22.7578 GPRESSAVG: 639600 -16.8698 31.9424 49.0061 33.9245 43.7806 40.3876 50.6058 42.2008 22.7231 TIMING: 639600 CPU: 1894.34, 0.00299489/step Wall: 1894.34, 0.00299489/step, 3.62747 hours remaining, 205.714844 MB of memory in use. ENERGY: 639600 729.0373 2075.5685 1965.3800 107.5245 -206567.1685 17858.2433 0.0000 0.0000 34181.6107 -149649.8042 298.5165 -183831.4149 -149550.0691 297.6667 -5.9117 17.8952 557129.9018 16.5188 16.5446 PRESSURE: 639800 4.78741 32.5316 -90.9541 32.5324 -232.782 72.8169 -90.9554 72.8187 -122.72 GPRESSURE: 639800 -10.7698 41.4972 -103.418 114.934 -202.076 58.7666 -113.189 59.1105 -29.5195 PRESSAVG: 639800 43.3156 23.3044 64.2994 23.3044 -10.1558 -29.6132 64.2994 -29.6132 -26.5383 GPRESSAVG: 639800 42.5739 24.2832 64.738 22.3173 -8.98695 -28.0338 63.5329 -29.2918 -26.7989 TIMING: 639800 CPU: 1894.94, 0.00297625/step Wall: 1894.94, 0.00297625/step, 3.60473 hours remaining, 205.714844 MB of memory in use. ENERGY: 639800 790.4033 2129.7381 1960.5557 120.4731 -206395.5441 17919.7595 0.0000 0.0000 33983.6505 -149490.9640 296.7877 -183474.6145 -149408.1515 298.1507 -116.9049 -80.7883 557800.8675 2.2072 2.2627 PRESSURE: 640000 -109.32 -29.4908 63.6135 -29.4906 -103.487 154.893 63.6141 154.891 -7.7062 GPRESSURE: 640000 -81.5237 -84.0695 9.55088 52.5933 -31.5301 169.988 5.33978 148.884 -3.13794 PRESSAVG: 640000 -3.62662 -5.73307 -45.0023 -5.73298 -8.71385 46.056 -45.0022 46.056 -37.3048 GPRESSAVG: 640000 -3.07112 -6.06588 -45.5843 -4.98434 -9.48717 43.8112 -44.099 47.683 -37.2629 TIMING: 640000 CPU: 1895.54, 0.00298633/step Wall: 1895.54, 0.00298633/step, 3.61678 hours remaining, 205.714844 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: 640000 691.0408 2086.0393 1970.7294 118.1935 -206199.4271 17707.5570 0.0000 0.0000 33961.3443 -149664.5228 296.5929 -183625.8671 -149572.7115 298.5159 -73.5045 -38.7306 557622.5042 -16.5484 -16.6071 PRESSURE: 640200 235.53 104.729 -80.2753 104.729 321.17 -101.747 -80.2733 -101.745 -51.4957 GPRESSURE: 640200 256.486 124.116 -84.4008 73.297 283.91 -106.27 -131.507 -75.1929 53.9327 PRESSAVG: 640200 42.973 23.3103 -29.3286 23.3103 22.1184 -25.2219 -29.3287 -25.2219 -7.91908 GPRESSAVG: 640200 41.8 23.491 -29.1604 22.674 21.518 -21.5669 -28.4953 -26.9499 -7.21098 TIMING: 640200 CPU: 1896.14, 0.00300891/step Wall: 1896.14, 0.00300891/step, 3.64396 hours remaining, 205.714844 MB of memory in use. ENERGY: 640200 761.6496 2077.4681 1958.4943 126.2915 -206970.1070 18177.3514 0.0000 0.0000 34256.3953 -149612.4568 299.1696 -183868.8521 -149517.8778 298.5479 168.4012 198.1095 556922.6174 19.0574 18.7023 LDB: ============= START OF LOAD BALANCING ============== 1899.57 LDB: ============== END OF LOAD BALANCING =============== 1899.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1899.57 LDB: ============= START OF LOAD BALANCING ============== 1899.87 LDB: Largest compute 4820 load 0.030925 is 26.2% of average load 0.117841 LDB: Average compute 0.001746 is 1.5% of average load 0.117841 LDB: TIME 1899.88 LOAD: AVG 0.117841 MAX 0.200193 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.652 MB LDB: TIME 1899.88 LOAD: AVG 0.117841 MAX 0.200193 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.652 MB LDB: TIME 1899.88 LOAD: AVG 0.117841 MAX 0.200193 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1899.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1899.88 PRESSURE: 640400 12.9174 -19.1517 92.5934 -19.1508 101.253 -103.48 92.592 -103.478 132.02 GPRESSURE: 640400 48.324 -44.5419 104.93 -37.8955 145.714 -130.903 94.7836 -98.7036 142.73 PRESSAVG: 640400 -0.956546 23.8356 3.05433 23.8356 30.9916 33.3062 3.05432 33.3062 -14.9745 GPRESSAVG: 640400 -0.061752 23.3271 5.7102 23.413 31.0313 32.912 1.52495 34.1248 -15.892 TIMING: 640400 CPU: 1896.75, 0.00307458/step Wall: 1896.75, 0.00307458/step, 3.72332 hours remaining, 205.914062 MB of memory in use. ENERGY: 640400 729.4241 2088.6258 1950.2765 112.5062 -206661.2884 17951.0050 0.0000 0.0000 34163.3604 -149666.0904 298.3571 -183829.4508 -149565.1332 298.0687 82.0636 112.2561 557608.8777 5.0202 5.0259 PRESSURE: 640600 49.1441 64.4732 0.7408 64.4743 -279.233 117.731 0.741038 117.731 -64.1703 GPRESSURE: 640600 54.9698 153.829 57.1434 21.9866 -232.817 50.419 -33.2798 135.265 -34.9663 PRESSAVG: 640600 -45.204 27.9341 -42.0331 27.9342 9.80495 18.9265 -42.0332 18.9266 31.6485 GPRESSAVG: 640600 -44.8788 28.0515 -44.8724 29.273 9.83196 14.486 -40.5641 21.1323 31.5614 TIMING: 640600 CPU: 1897.35, 0.00298261/step Wall: 1897.35, 0.00298261/step, 3.61178 hours remaining, 206.117188 MB of memory in use. ENERGY: 640600 737.9148 2087.4426 1928.7789 114.3735 -206485.4114 17940.4051 0.0000 0.0000 33884.9606 -149791.5359 295.9258 -183676.4965 -149690.0261 297.3269 -98.0864 -70.9379 558705.6902 -1.2502 -1.1618 PRESSURE: 640800 73.7516 17.2796 -17.0697 17.2775 274.297 -142.028 -17.0687 -142.028 414.534 GPRESSURE: 640800 138.117 48.1658 68.8168 7.61089 284.254 -130.044 -45.3979 -66.9341 436.589 PRESSAVG: 640800 -20.1554 11.8158 14.628 11.8157 7.40389 27.6779 14.628 27.6779 22.7666 GPRESSAVG: 640800 -21.2441 12.6373 14.2099 10.3222 9.09968 30.844 13.0854 26.2988 22.284 TIMING: 640800 CPU: 1897.94, 0.00296788/step Wall: 1897.94, 0.00296788/step, 3.59377 hours remaining, 206.117188 MB of memory in use. ENERGY: 640800 759.2527 2071.6296 1932.4505 115.2867 -206904.4575 18283.7285 0.0000 0.0000 33900.2839 -149841.8256 296.0596 -183742.1095 -149750.8707 296.9824 254.1942 286.3202 556402.7692 3.3384 3.3799 PRESSURE: 641000 139.107 -95.7019 -186.808 -95.7019 44.1409 -105.082 -186.809 -105.083 -41.8867 GPRESSURE: 641000 191.513 -66.8761 -196.793 -151.841 3.77224 -26.0488 -80.8415 -104.498 35.3512 PRESSAVG: 641000 -4.74473 27.3122 -6.22844 27.3122 -4.0154 13.8927 -6.22851 13.8927 8.09035 GPRESSAVG: 641000 -3.10955 26.9623 -7.54251 27.3457 -5.14224 13.0151 -3.09697 12.6991 8.16446 TIMING: 641000 CPU: 1898.54, 0.00297766/step Wall: 1898.54, 0.00297766/step, 3.60545 hours remaining, 206.117188 MB of memory in use. ENERGY: 641000 755.4399 2101.7050 1960.1262 101.6040 -206674.3241 18023.0615 0.0000 0.0000 33943.3205 -149789.0670 296.4355 -183732.3875 -149700.9477 297.1154 47.1203 76.8788 558706.1604 -0.2233 -0.0291 PRESSURE: 641200 19.4591 -20.6963 18.3328 -20.6959 35.1404 -62.6625 18.3318 -62.6628 -3.73138 GPRESSURE: 641200 97.0959 -10.9763 -50.2771 -32.424 57.0201 -83.1456 -8.97739 -49.747 -12.4884 PRESSAVG: 641200 21.9128 55.7001 -34.9376 55.7001 -9.47088 -1.62381 -34.9376 -1.62366 14.8121 GPRESSAVG: 641200 21.2989 53.3817 -35.3011 57.5622 -8.83573 -2.73177 -37.1752 -1.42856 14.332 TIMING: 641200 CPU: 1899.13, 0.00297791/step Wall: 1899.13, 0.00297791/step, 3.60558 hours remaining, 206.117188 MB of memory in use. ENERGY: 641200 729.6261 2079.6494 1936.2113 96.0644 -206651.3481 17974.3062 0.0000 0.0000 34009.2434 -149826.2472 297.0112 -183835.4906 -149730.0060 297.5673 16.9560 47.2092 557529.3265 9.0847 8.9317 PRESSURE: 641400 76.5814 -118.781 -62.5665 -118.781 -172.438 -58.5163 -62.5672 -58.5162 -208.199 GPRESSURE: 641400 121.718 -71.1729 -33.9584 -126.413 -148.188 -91.9066 -53.1521 -38.6009 -177.676 PRESSAVG: 641400 -15.2957 -15.4053 33.5686 -15.4053 26.1221 -25.0835 33.5686 -25.0836 -29.4711 GPRESSAVG: 641400 -14.7752 -15.0388 34.8889 -16.3851 25.1898 -25.0398 33.1662 -23.7112 -28.7731 TIMING: 641400 CPU: 1899.73, 0.00297269/step Wall: 1899.73, 0.00297269/step, 3.5991 hours remaining, 206.117188 MB of memory in use. ENERGY: 641400 724.1667 2082.7973 1936.7972 112.0208 -206461.6111 17851.5674 0.0000 0.0000 33881.7938 -149872.4678 295.8981 -183754.2617 -149780.4232 296.8350 -101.3518 -68.0486 557280.3019 -6.2149 -6.1195 PRESSURE: 641600 -81.4653 53.2153 52.7715 53.2139 4.2403 28.9229 52.7707 28.9238 -113.465 GPRESSURE: 641600 -33.5087 35.1359 13.0581 27.7336 34.8 -7.29645 153.036 33.4421 -103.611 PRESSAVG: 641600 -2.32768 5.53984 -18.7434 5.53978 -25.3256 -51.6173 -18.7435 -51.6173 58.5501 GPRESSAVG: 641600 -1.4409 7.61246 -18.8301 5.75849 -26.2752 -49.8748 -17.5625 -52.9332 58.385 TIMING: 641600 CPU: 1900.33, 0.00299003/step Wall: 1900.33, 0.00299003/step, 3.61993 hours remaining, 206.117188 MB of memory in use. ENERGY: 641600 723.5613 2031.6350 1940.5861 107.7504 -206499.5965 17783.6993 0.0000 0.0000 34023.5305 -149888.8339 297.1360 -183912.3644 -149793.2078 296.5746 -63.5633 -34.1067 556715.3885 10.2990 10.2230 PRESSURE: 641800 87.2885 -33.5953 211.697 -33.5937 4.55201 31.2823 211.698 31.2851 142.049 GPRESSURE: 641800 112.574 -35.3854 228.315 -23.0369 74.9868 69.4397 197.686 30.4674 143.131 PRESSAVG: 641800 -31.9694 7.40497 18.1898 7.40497 -49.1708 27.4255 18.1898 27.4255 27.1825 GPRESSAVG: 641800 -33.0473 5.95527 18.655 7.43992 -48.0282 27.1663 17.3626 27.8585 27.2087 TIMING: 641800 CPU: 1900.93, 0.00300338/step Wall: 1900.93, 0.00300338/step, 3.63592 hours remaining, 206.117188 MB of memory in use. ENERGY: 641800 781.7293 2078.3254 1932.9425 109.2004 -206649.1415 18167.8679 0.0000 0.0000 33772.5339 -149806.5420 294.9439 -183579.0760 -149714.7293 296.9177 77.9633 110.2308 557218.2173 -17.9859 -17.9556 PRESSURE: 642000 152.123 -119.102 210.457 -119.103 123.779 -27.9447 210.458 -27.9447 59.2475 GPRESSURE: 642000 166.742 -109.439 312.495 -222.048 130.116 -13.8263 158.415 -13.6171 124.249 PRESSAVG: 642000 -3.68955 -23.9229 42.9761 -23.9229 9.59269 19.3719 42.9762 19.3719 16.4866 GPRESSAVG: 642000 -4.19698 -23.0965 42.7857 -24.7414 9.51613 17.1752 43.566 20.482 16.7304 TIMING: 642000 CPU: 1901.52, 0.00298488/step Wall: 1901.52, 0.00298488/step, 3.61336 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: 642000 735.1645 2128.8258 1955.2628 115.3661 -206698.5305 17972.1715 0.0000 0.0000 34204.9019 -149586.8379 298.7199 -183791.7398 -149487.7126 297.4124 111.7167 140.3689 556856.4590 7.4632 7.3499 PRESSURE: 642200 -130.195 -16.0991 160.968 -16.0992 -161.743 -174.212 160.967 -174.211 -110.817 GPRESSURE: 642200 -110.737 -12.2785 50.4798 -14.1158 -103.31 -109.646 208.656 -186.694 -98.114 PRESSAVG: 642200 123.283 17.3328 61.1604 17.3329 -98.2302 51.7931 61.1604 51.7929 3.35031 GPRESSAVG: 642200 122.351 16.7976 61.3267 18.6181 -96.7612 50.6574 60.2534 50.5364 2.67103 TIMING: 642200 CPU: 1902.11, 0.00292639/step Wall: 1902.11, 0.00292639/step, 3.54239 hours remaining, 206.117188 MB of memory in use. ENERGY: 642200 756.8401 2077.1144 1976.7830 112.2803 -206156.6393 17663.2366 0.0000 0.0000 34244.7253 -149325.6596 299.0677 -183570.3849 -149227.2340 298.5934 -134.2520 -104.0535 556753.7191 9.4678 9.4202 PRESSURE: 642400 -152.654 -4.06831 -8.63981 -4.06929 13.8194 -19.4749 -8.63837 -19.4759 -158.1 GPRESSURE: 642400 -96.848 -16.704 -83.6006 43.2934 98.1276 -2.38866 -18.6348 -24.9855 -203.232 PRESSAVG: 642400 -8.52295 28.8615 44.456 28.8616 13.774 -13.0246 44.456 -13.0246 -22.9454 GPRESSAVG: 642400 -7.38181 28.0213 46.2737 28.9361 12.4476 -11.5806 42.8687 -11.9809 -22.3068 TIMING: 642400 CPU: 1902.7, 0.00296383/step Wall: 1902.7, 0.00296383/step, 3.58755 hours remaining, 206.117188 MB of memory in use. ENERGY: 642400 729.9610 2006.9210 1968.1816 114.7623 -205811.8986 17563.6976 0.0000 0.0000 34111.3871 -149316.9880 297.9032 -183428.3751 -149223.0760 299.5176 -98.9781 -67.3176 556680.5582 -5.8981 -5.7470 PRESSURE: 642600 143.405 -98.5059 -104.99 -98.5059 58.3486 -116.018 -104.99 -116.022 121.533 GPRESSURE: 642600 167.662 -62.7982 -113.118 -104.322 86.4344 -20.3914 -102.789 -90.4485 171.513 PRESSAVG: 642600 101.433 11.1507 15.1311 11.1506 -38.6906 -1.60284 15.1311 -1.60281 -44.5456 GPRESSAVG: 642600 100.77 11.8893 12.7543 8.9702 -37.7308 -1.01069 17.664 -0.729325 -45.0349 TIMING: 642600 CPU: 1903.29, 0.00294259/step Wall: 1903.29, 0.00294259/step, 3.56168 hours remaining, 206.117188 MB of memory in use. ENERGY: 642600 755.6982 2067.0271 1995.6188 126.6275 -206731.2436 18097.7321 0.0000 0.0000 34390.9043 -149297.6356 300.3443 -183688.5399 -149199.3282 299.0768 107.7625 141.8699 557487.4336 6.0658 6.0014 PRESSURE: 642800 103.106 65.6654 14.124 65.6659 265.592 -179.434 14.1239 -179.434 171.637 GPRESSURE: 642800 118.226 39.9482 -30.0807 111.205 271.326 -208.104 -16.046 -155.117 238.943 PRESSAVG: 642800 -1.58508 10.4622 19.3443 10.4623 46.6109 -8.05592 19.3443 -8.05589 -35.5643 GPRESSAVG: 642800 -1.91438 10.3338 17.9846 12.2647 46.0602 -7.07888 20.0498 -9.0488 -34.4802 TIMING: 642800 CPU: 1903.88, 0.00296193/step Wall: 1903.88, 0.00296193/step, 3.58493 hours remaining, 206.117188 MB of memory in use. ENERGY: 642800 737.9739 2114.4326 1954.4305 111.4223 -206593.1700 18081.5526 0.0000 0.0000 34318.3244 -149275.0338 299.7105 -183593.3582 -149177.5973 298.9329 180.1116 209.4982 555822.1192 3.1539 3.2219 PRESSURE: 643000 -275.124 -81.4854 133.497 -81.4848 -378.941 -9.31615 133.497 -9.31524 -397.731 GPRESSURE: 643000 -216.13 -91.4068 90.1493 -84.4634 -353.878 -2.0833 70.1909 -31.1424 -396.3 PRESSAVG: 643000 13.6092 -28.7641 -11.0621 -28.7641 22.4336 -31.7235 -11.0622 -31.7234 -24.2781 GPRESSAVG: 643000 14.3212 -26.8914 -9.63947 -31.9943 22.9662 -31.392 -11.1904 -33.4959 -25.5888 TIMING: 643000 CPU: 1904.48, 0.00299378/step Wall: 1904.48, 0.00299378/step, 3.62331 hours remaining, 206.117188 MB of memory in use. ENERGY: 643000 759.7416 2044.5890 1934.5605 107.9685 -205805.6227 17330.1355 0.0000 0.0000 34026.7363 -149601.8913 297.1640 -183628.6277 -149503.4834 298.3129 -350.5987 -322.1025 557016.6303 3.9216 3.8995 PRESSURE: 643200 -170.699 -67.7736 -116.012 -67.7738 -199.543 -53.5793 -116.014 -53.5784 -76.4549 GPRESSURE: 643200 -108.667 51.7293 -103.018 -114.142 -169.276 -36.6568 -152.317 -9.03118 -69.5183 PRESSAVG: 643200 30.1594 -22.9915 11.2012 -22.9916 -16.3876 -17.3923 11.2013 -17.3923 0.286526 GPRESSAVG: 643200 28.926 -23.1697 11.6612 -20.5124 -15.4424 -16.2471 11.1457 -16.6223 0.615244 TIMING: 643200 CPU: 1905.08, 0.00298941/step Wall: 1905.08, 0.00298941/step, 3.61785 hours remaining, 206.117188 MB of memory in use. ENERGY: 643200 748.4736 2017.5057 1956.5969 110.4806 -206430.7412 17863.3557 0.0000 0.0000 34119.8632 -149614.4655 297.9773 -183734.3287 -149519.7829 298.0556 -148.8992 -115.8204 557926.7292 4.6861 4.6996 PRESSURE: 643400 -92.6969 64.1358 101.878 64.1338 39.1828 -210.259 101.877 -210.259 14.1188 GPRESSURE: 643400 -34.6172 48.3017 141.261 73.9537 72.6989 -191.89 34.7212 -140.411 21.6782 PRESSAVG: 643400 53.6761 -56.8764 30.4609 -56.8764 -55.4108 0.60007 30.4609 0.599923 42.8161 GPRESSAVG: 643400 54.825 -57.6093 30.139 -56.7169 -55.9272 -1.48893 31.0041 0.809338 42.2247 TIMING: 643400 CPU: 1905.67, 0.0029665/step Wall: 1905.67, 0.0029665/step, 3.58996 hours remaining, 206.117188 MB of memory in use. ENERGY: 643400 733.5380 2063.0715 1933.9858 115.0837 -206201.7056 17840.3479 0.0000 0.0000 34156.0994 -149359.5793 298.2937 -183515.6787 -149264.1236 298.5656 -13.1318 19.9200 558157.5859 13.6938 13.7075 PRESSURE: 643600 -222.421 -74.4541 26.6021 -74.4543 -207.697 14.7889 26.6017 14.7874 -68.8094 GPRESSURE: 643600 -182.969 9.01182 38.8472 -86.0245 -153.345 -0.184852 10.9321 117.128 -48.8149 PRESSAVG: 643600 27.7043 20.5996 59.0846 20.5995 -21.1125 3.39613 59.0846 3.39617 -12.2288 GPRESSAVG: 643600 28.1039 20.3483 59.1551 20.8932 -21.6699 3.23289 58.5409 5.68778 -12.086 TIMING: 643600 CPU: 1906.26, 0.00295448/step Wall: 1906.26, 0.00295448/step, 3.57525 hours remaining, 206.117188 MB of memory in use. ENERGY: 643600 751.2311 2092.3190 1942.1788 111.7494 -205931.0439 17579.8894 0.0000 0.0000 34215.2092 -149238.4671 298.8099 -183453.6763 -149147.9840 298.7324 -166.3091 -128.3764 558058.8177 -1.8790 -1.8840 PRESSURE: 643800 125.565 -11.9364 -102.361 -11.9365 60.4006 76.2639 -102.363 76.2637 -98.8655 GPRESSURE: 643800 160.489 24.5827 -72.4758 -88.3131 47.9704 16.9616 -103.687 49.8807 -14.1447 PRESSAVG: 643800 77.2685 -10.3754 42.5625 -10.3754 6.72879 -16.7608 42.5625 -16.7607 -33.5598 GPRESSAVG: 643800 76.4862 -8.45952 41.427 -11.1448 6.25141 -17.1025 42.0572 -19.2441 -32.5427 TIMING: 643800 CPU: 1906.86, 0.00297916/step Wall: 1906.86, 0.00297916/step, 3.60495 hours remaining, 206.117188 MB of memory in use. ENERGY: 643800 752.3022 2046.8158 1956.7613 129.2748 -206331.4656 17879.0325 0.0000 0.0000 34510.5587 -149056.7203 301.3893 -183567.2790 -148961.4765 299.5561 29.0332 64.7715 558130.6129 16.8125 16.7316 PRESSURE: 644000 -74.0713 -56.2309 80.281 -56.2317 182.142 143.913 80.2818 143.913 374.923 GPRESSURE: 644000 -6.80646 -13.7036 128.088 -104.06 178.402 40.3867 21.5815 143.639 409.363 PRESSAVG: 644000 28.89 -23.7958 -10.5695 -23.7958 -38.22 7.2654 -10.5695 7.26543 -8.61637 GPRESSAVG: 644000 29.363 -24.4389 -8.95361 -24.0335 -37.385 6.73194 -11.6813 7.72878 -9.6599 TIMING: 644000 CPU: 1907.46, 0.00298819/step Wall: 1907.46, 0.00298819/step, 3.61571 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: 644000 713.0373 2068.5243 1956.0079 123.7416 -206099.4868 17914.8498 0.0000 0.0000 34152.3545 -149170.9715 298.2610 -183323.3260 -149074.0594 299.5394 160.9979 193.6530 557613.7454 -5.9821 -5.8940 PRESSURE: 644200 268.359 -110.451 21.7877 -110.451 140.688 18.51 21.7885 18.509 111.548 GPRESSURE: 644200 328.714 -9.78808 37.2757 -139.719 133.551 -19.5089 -2.9833 5.1474 154.921 PRESSAVG: 644200 -27.841 2.91678 20.1637 2.91678 -4.70858 17.5694 20.1637 17.5694 55.5153 GPRESSAVG: 644200 -27.6443 2.48581 19.226 4.48032 -5.08817 19.5124 20.9718 18.7288 55.7764 TIMING: 644200 CPU: 1908.05, 0.00298151/step Wall: 1908.05, 0.00298151/step, 3.60746 hours remaining, 206.117188 MB of memory in use. ENERGY: 644200 725.4840 2081.4922 1938.1337 114.3972 -206435.3850 18159.1405 0.0000 0.0000 34340.0759 -149076.6614 299.9004 -183416.7374 -148984.4999 299.5179 173.5315 205.7286 556422.1070 7.6552 7.6813 LDB: ============= START OF LOAD BALANCING ============== 1911.48 LDB: ============== END OF LOAD BALANCING =============== 1911.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1911.49 LDB: ============= START OF LOAD BALANCING ============== 1911.79 LDB: Largest compute 4820 load 0.031578 is 26.8% of average load 0.117834 LDB: Average compute 0.001725 is 1.5% of average load 0.117834 LDB: TIME 1911.79 LOAD: AVG 0.117834 MAX 0.199577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.852 MB LDB: TIME 1911.79 LOAD: AVG 0.117834 MAX 0.199577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.055 MB LDB: TIME 1911.79 LOAD: AVG 0.117834 MAX 0.199577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.055 MB LDB: ============== END OF LOAD BALANCING =============== 1911.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1911.8 PRESSURE: 644400 183.895 176.785 -110.738 176.786 97.2326 57.0114 -110.737 57.0112 -78.9447 GPRESSURE: 644400 217.577 168.845 -19.6576 9.85106 105.459 16.2845 -130.996 130.817 -19.5523 PRESSAVG: 644400 5.70422 42.1551 50.157 42.1552 3.50153 1.23357 50.1569 1.23359 16.0967 GPRESSAVG: 644400 6.49975 44.7397 51.092 40.6547 3.25386 -1.09196 49.5841 0.878917 15.3796 TIMING: 644400 CPU: 1908.67, 0.00305805/step Wall: 1908.67, 0.00305805/step, 3.6999 hours remaining, 205.910156 MB of memory in use. ENERGY: 644400 736.5877 2079.1664 1958.9864 116.1818 -206290.9248 17912.4606 0.0000 0.0000 34355.3325 -149132.2094 300.0337 -183487.5419 -149032.7523 299.6905 67.3942 101.1613 557300.1441 8.4341 8.3777 PRESSURE: 644600 -326.497 -45.3785 -11.8508 -45.3797 -308.011 -99.1834 -11.8496 -99.183 -19.7954 GPRESSURE: 644600 -310.112 10.5206 9.76992 -85.7449 -293.078 -122.938 -20.281 -63.8152 33.9673 PRESSAVG: 644600 44.6235 40.8065 48.0573 40.8065 -79.2681 -47.6589 48.0573 -47.6588 22.9911 GPRESSAVG: 644600 44.0286 37.4362 48.5951 43.8047 -78.2894 -47.891 46.1787 -46.7207 23.2348 TIMING: 644600 CPU: 1909.27, 0.00300237/step Wall: 1909.27, 0.00300237/step, 3.63237 hours remaining, 205.910156 MB of memory in use. ENERGY: 644600 785.2074 2083.7700 1958.9606 117.8841 -206011.8907 17608.7530 0.0000 0.0000 34258.8405 -149198.4751 299.1910 -183457.3156 -149108.0778 299.1454 -218.1010 -189.7407 558938.9791 -3.8845 -3.6754 PRESSURE: 644800 42.7833 54.9033 103.02 54.9037 -169.505 -5.52073 103.02 -5.52127 98.0657 GPRESSURE: 644800 75.4773 109.261 129.394 13.0434 -104.931 -28.7538 14.5795 4.36705 94.1051 PRESSAVG: 644800 -31.7829 69.1345 24.941 69.1346 0.717047 -50.3395 24.941 -50.3395 48.11 GPRESSAVG: 644800 -32.5858 70.6706 23.6026 66.6092 2.18945 -46.3193 27.3783 -52.9274 47.2758 TIMING: 644800 CPU: 1909.86, 0.00297576/step Wall: 1909.86, 0.00297576/step, 3.60001 hours remaining, 205.910156 MB of memory in use. ENERGY: 644800 742.3666 2047.6285 1914.4119 123.6669 -206117.6087 17844.8428 0.0000 0.0000 34292.5377 -149152.1544 299.4853 -183444.6920 -149049.9424 299.8465 -9.5519 21.5505 557874.8924 5.6814 5.6265 PRESSURE: 645000 -122.36 -27.0878 72.4474 -27.0868 -163.388 30.5751 72.4471 30.5771 -20.0263 GPRESSURE: 645000 -12.5993 -43.3016 125.669 -27.1151 -226.715 -31.1633 116.547 69.8684 34.5778 PRESSAVG: 645000 -32.687 -24.0219 5.11416 -24.0218 -19.4431 18.5507 5.11409 18.5508 74.4372 GPRESSAVG: 645000 -32.7525 -25.8773 3.1934 -22.7829 -20.4723 16.1276 6.82098 20.2303 76.0952 TIMING: 645000 CPU: 1910.46, 0.00301922/step Wall: 1910.46, 0.00301922/step, 3.65242 hours remaining, 205.910156 MB of memory in use. ENERGY: 645000 714.6376 2131.4583 1948.6084 104.7333 -205844.5975 17544.2268 0.0000 0.0000 34267.1215 -149133.8116 299.2633 -183400.9331 -149038.5566 299.8927 -101.9248 -68.2457 558576.2334 7.4357 7.6235 PRESSURE: 645200 -91.6753 -26.2481 218.945 -26.2467 -67.6842 -34.0336 218.945 -34.0337 -102.303 GPRESSURE: 645200 -72.0674 -43.3815 107.674 -63.9666 -35.8318 5.18991 288.502 55.6222 -60.5247 PRESSAVG: 645200 -1.13238 -17.091 80.4287 -17.091 -27.2236 46.0379 80.4287 46.0378 -17.901 GPRESSAVG: 645200 -0.177399 -15.0183 82.5801 -18.7765 -27.8993 45.8282 76.1893 44.347 -18.1929 TIMING: 645200 CPU: 1911.06, 0.00298898/step Wall: 1911.06, 0.00298898/step, 3.61566 hours remaining, 205.910156 MB of memory in use. ENERGY: 645200 762.6910 2130.1439 1988.6424 109.6131 -206209.4154 17782.0432 0.0000 0.0000 34151.5533 -149284.7284 298.2540 -183436.2818 -149183.6396 299.8790 -87.2208 -56.1413 556678.0914 -15.4190 -15.4232 PRESSURE: 645400 56.1327 44.8446 -302.58 44.8438 -226.979 -14.5193 -302.58 -14.5179 -41.2787 GPRESSURE: 645400 67.5505 -18.0593 -235.006 77.1422 -200.586 -30.331 -295.959 -43.0303 -4.33502 PRESSAVG: 645400 -40.7411 31.6313 -34.3491 31.6314 8.78126 8.05523 -34.3492 8.05539 4.84743 GPRESSAVG: 645400 -41.1262 29.7431 -35.029 32.7002 9.49717 8.96797 -34.6821 8.86122 4.63556 TIMING: 645400 CPU: 1911.67, 0.0030139/step Wall: 1911.67, 0.0030139/step, 3.64564 hours remaining, 205.910156 MB of memory in use. ENERGY: 645400 719.0714 2081.3013 1967.7719 115.6788 -206345.8980 17764.7163 0.0000 0.0000 34385.3651 -149311.9933 300.2959 -183697.3584 -149222.0801 298.4771 -70.7084 -45.7901 557576.5340 -9.0375 -8.9978 PRESSURE: 645600 248.192 -49.0409 54.5136 -49.0413 -101.68 -39.0647 54.5141 -39.0653 -6.69773 GPRESSURE: 645600 257.309 -176.05 4.65832 -9.77701 -61.9721 46.0387 -20.7369 -75.8879 41.652 PRESSAVG: 645600 5.28026 -6.81016 11.5997 -6.81024 36.9481 -28.1588 11.5996 -28.1587 -20.6976 GPRESSAVG: 645600 3.74654 -5.95259 9.70221 -8.33197 37.4368 -29.092 13.8772 -28.4218 -19.4351 TIMING: 645600 CPU: 1912.27, 0.00302282/step Wall: 1912.27, 0.00302282/step, 3.65627 hours remaining, 205.910156 MB of memory in use. ENERGY: 645600 770.1379 2052.2987 1951.3347 120.6540 -206285.0519 17851.7797 0.0000 0.0000 34275.3836 -149263.4633 299.3354 -183538.8469 -149166.2404 298.9710 46.6049 78.9962 555553.7841 7.1769 7.2494 PRESSURE: 645800 -95.4441 -52.5271 132.102 -52.5263 159.546 -163.415 132.102 -163.415 -2.87064 GPRESSURE: 645800 -85.2396 -101.001 73.7135 -26.0696 214.759 -145.472 169.591 -147.62 24.4251 PRESSAVG: 645800 29.274 55.2261 16.0832 55.226 -51.214 -5.35808 16.0831 -5.35816 13.1603 GPRESSAVG: 645800 31.2469 55.0177 17.6811 56.64 -52.7085 -4.21123 14.7478 -6.39829 12.3926 TIMING: 645800 CPU: 1912.87, 0.00300864/step Wall: 1912.87, 0.00300864/step, 3.63895 hours remaining, 205.910156 MB of memory in use. ENERGY: 645800 742.0265 2113.1241 1981.4974 123.1922 -206346.8867 17837.1154 0.0000 0.0000 34130.9477 -149418.9835 298.0741 -183549.9312 -149333.3942 299.2592 20.4104 51.3148 556292.8156 -2.9266 -3.0230 PRESSURE: 646000 -328.334 132.522 91.5637 132.522 -269.644 -63.1907 91.5631 -63.1898 -239.307 GPRESSURE: 646000 -274.949 214.858 115.295 139.296 -214.86 25.147 7.92806 -95.883 -255.307 PRESSAVG: 646000 -47.7033 79.6626 32.8726 79.6625 60.7494 -22.2432 32.8726 -22.2432 -8.73596 GPRESSAVG: 646000 -48.2462 80.1502 34.1372 80.437 62.2932 -20.2525 30.9181 -20.85 -9.87451 TIMING: 646000 CPU: 1913.46, 0.00296319/step Wall: 1913.46, 0.00296319/step, 3.58381 hours remaining, 205.910156 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: 646000 736.4555 2080.2300 1942.0547 121.2065 -206122.8136 17492.3798 0.0000 0.0000 34081.6438 -149668.8435 297.6435 -183750.4872 -149569.5548 298.3775 -279.0949 -248.3719 558791.7429 1.4367 1.3908 PRESSURE: 646200 -323.01 72.9656 115.201 72.9647 -96.5141 -79.5278 115.201 -79.528 4.81695 GPRESSURE: 646200 -328.12 59.243 88.1576 98.1865 -70.1812 -63.3143 101.856 -45.1624 72.0962 PRESSAVG: 646200 -71.6836 4.71263 -6.63903 4.71259 118.65 -17.7492 -6.63911 -17.7491 -36.0553 GPRESSAVG: 646200 -71.2522 4.40302 -6.73909 3.2528 118.068 -19.4051 -4.29872 -19.6352 -35.5125 TIMING: 646200 CPU: 1914.06, 0.00297339/step Wall: 1914.06, 0.00297339/step, 3.59599 hours remaining, 205.910156 MB of memory in use. ENERGY: 646200 747.6422 2034.5866 1981.3181 123.5833 -206120.3358 17747.5562 0.0000 0.0000 34079.2069 -149406.4425 297.6222 -183485.6494 -149312.7143 298.4833 -138.2357 -108.7348 557923.1062 3.6371 3.7676 PRESSURE: 646400 -22.4569 -60.1081 71.2548 -60.1084 -219.388 -23.199 71.2555 -23.1977 -60.6473 GPRESSURE: 646400 -26.0513 -119.486 44.573 -23.8208 -158.278 -16.9573 36.9644 -41.2699 -21.8784 PRESSAVG: 646400 -18.2547 11.5955 -44.5684 11.5955 6.3128 -80.9325 -44.5685 -80.9325 19.6064 GPRESSAVG: 646400 -17.2304 10.1879 -47.6513 12.3121 6.60751 -82.7214 -42.4026 -79.5478 18.1174 TIMING: 646400 CPU: 1914.65, 0.00296415/step Wall: 1914.65, 0.00296415/step, 3.58464 hours remaining, 205.910156 MB of memory in use. ENERGY: 646400 753.3766 2117.5605 1952.4792 110.4863 -206067.3681 17547.8646 0.0000 0.0000 34142.8704 -149442.7305 298.1782 -183585.6010 -149347.4535 299.1095 -100.8308 -68.7359 557074.8022 2.5548 2.4982 PRESSURE: 646600 90.5538 79.0573 88.6228 79.0565 18.9736 -79.8105 88.6232 -79.8109 6.01754 GPRESSURE: 646600 110.533 17.5892 47.1523 132.764 56.2631 -88.2117 51.8463 -96.1535 37.7602 PRESSAVG: 646600 -8.39853 1.63368 -63.9793 1.63377 16.9602 -18.8802 -63.9792 -18.8801 3.45363 GPRESSAVG: 646600 -7.54776 3.42535 -61.2657 -0.512439 15.884 -17.9751 -65.8757 -21.1118 3.58363 TIMING: 646600 CPU: 1915.25, 0.00298145/step Wall: 1915.25, 0.00298145/step, 3.6054 hours remaining, 205.910156 MB of memory in use. ENERGY: 646600 777.9937 2088.2049 1953.1840 109.9192 -206610.6950 18023.6244 0.0000 0.0000 34368.3743 -149289.3944 300.1476 -183657.7687 -149195.0157 300.0235 38.5150 68.1855 556878.0621 4.0051 3.9733 PRESSURE: 646800 203.71 2.68696 -30.4829 2.68666 -135.625 58.4313 -30.4817 58.4314 149.074 GPRESSURE: 646800 266.543 70.4231 -4.79202 -60.3803 -98.9736 37.9934 -14.4367 152.236 145.64 PRESSAVG: 646800 -32.627 2.26235 -41.1326 2.26233 4.3683 -30.79 -41.1325 -30.7901 -2.1932 GPRESSAVG: 646800 -35.0425 -0.327895 -43.8197 6.47581 5.0957 -30.246 -39.5739 -28.3218 -0.916959 TIMING: 646800 CPU: 1915.84, 0.00296418/step Wall: 1915.84, 0.00296418/step, 3.58435 hours remaining, 205.910156 MB of memory in use. ENERGY: 646800 767.8194 2125.0711 1960.0389 117.1323 -206336.6873 17794.6633 0.0000 0.0000 34091.9752 -149479.9871 297.7337 -183571.9624 -149383.6836 298.3616 72.3864 104.4032 555876.7609 -10.1506 -10.2879 PRESSURE: 647000 254.977 97.6927 14.5138 97.6937 -95.1308 40.3934 14.5137 40.3941 -272.235 GPRESSURE: 647000 300.506 -8.1085 -10.3504 180.494 -61.8117 54.5975 -55.7767 108.078 -243.631 PRESSAVG: 647000 58.2137 69.1344 -30.5579 69.1346 19.4016 37.5963 -30.5579 37.5964 9.61134 GPRESSAVG: 647000 58.9897 70.4781 -28.5427 68.521 19.1298 35.3534 -34.2974 36.5927 9.34284 TIMING: 647000 CPU: 1916.43, 0.00294213/step Wall: 1916.43, 0.00294213/step, 3.55753 hours remaining, 205.910156 MB of memory in use. ENERGY: 647000 751.7073 2125.4337 1958.4943 125.3394 -206443.9883 17893.0045 0.0000 0.0000 34122.6371 -149467.3720 298.0015 -183590.0091 -149370.5574 298.1400 -37.4627 -1.6456 556950.4227 29.0755 29.1541 PRESSURE: 647200 -290.248 18.7574 -90.8092 18.7568 -320.123 -60.231 -90.8093 -60.2304 -146.198 GPRESSURE: 647200 -301.441 49.6952 -230.036 23.5331 -228.729 -9.7676 -73.871 -80.2186 -149.526 PRESSAVG: 647200 56.5275 -26.4489 -32.7763 -26.449 -5.69702 -23.3372 -32.7764 -23.3373 3.41661 GPRESSAVG: 647200 55.3721 -26.3068 -33.4758 -26.6562 -5.33354 -21.5878 -28.8047 -25.2892 4.35897 TIMING: 647200 CPU: 1917.02, 0.00297442/step Wall: 1917.02, 0.00297442/step, 3.5964 hours remaining, 205.910156 MB of memory in use. ENERGY: 647200 752.3223 2078.5479 1942.1466 108.7039 -206028.2898 17692.2386 0.0000 0.0000 34013.2883 -149441.0422 297.0465 -183454.3305 -149339.4889 299.4637 -252.1893 -226.5654 559282.2744 18.0824 18.1325 PRESSURE: 647400 -142.662 109.686 -39.003 109.687 -64.1779 72.1519 -39.0028 72.1533 119.586 GPRESSURE: 647400 -49.5257 19.2885 -78.0896 139.445 -62.3726 175.348 81.432 -31.5602 120.117 PRESSAVG: 647400 -25.6842 -2.44147 -13.0136 -2.44145 2.24268 -49.034 -13.0135 -49.0339 16.3162 GPRESSAVG: 647400 -24.0514 -3.5339 -11.1024 -2.5673 1.83459 -48.33 -16.1338 -48.7745 15.534 TIMING: 647400 CPU: 1917.62, 0.00295386/step Wall: 1917.62, 0.00295386/step, 3.57138 hours remaining, 205.910156 MB of memory in use. ENERGY: 647400 776.1444 2101.4810 1965.0548 120.0904 -206383.1063 17689.9005 0.0000 0.0000 34156.1151 -149574.3202 298.2938 -183730.4354 -149481.1483 298.5797 -29.0846 2.7395 556750.8171 -2.3751 -2.2276 PRESSURE: 647600 5.17566 57.3155 16.7225 57.3165 -83.8582 126.955 16.7227 126.955 136.538 GPRESSURE: 647600 22.2362 -24.7956 42.1844 83.0884 -81.5528 102.637 27.3907 88.9039 197.886 PRESSAVG: 647600 -1.06397 -2.68619 20.5425 -2.68609 18.6895 -39.8643 20.5426 -39.8643 3.89441 GPRESSAVG: 647600 -1.3303 -0.159007 18.5849 -2.61892 18.2483 -41.9756 21.6665 -36.3291 4.35996 TIMING: 647600 CPU: 1918.21, 0.00296639/step Wall: 1918.21, 0.00296639/step, 3.58637 hours remaining, 205.910156 MB of memory in use. ENERGY: 647600 768.5086 2123.6970 1951.7031 101.9251 -206548.2378 17956.2958 0.0000 0.0000 34117.1468 -149528.9614 297.9535 -183646.1083 -149429.5187 298.4030 19.2852 46.1899 555812.2291 7.1733 7.0927 PRESSURE: 647800 2.29111 88.4322 -79.2522 88.4325 -128.886 125.405 -79.2522 125.404 -177.407 GPRESSURE: 647800 2.33139 51.2966 -165.547 107.138 -103.049 26.5198 -41.0217 186.805 -114.841 PRESSAVG: 647800 -2.12428 -20.857 -29.5806 -20.8569 17.2902 46.0576 -29.5805 46.0576 -37.4161 GPRESSAVG: 647800 -3.53124 -22.1115 -30.0027 -20.1891 17.8723 48.5426 -29.8614 44.3698 -37.4418 TIMING: 647800 CPU: 1918.8, 0.0029794/step Wall: 1918.8, 0.0029794/step, 3.60193 hours remaining, 205.910156 MB of memory in use. ENERGY: 647800 733.0523 2139.2093 1944.3635 106.2788 -206159.9601 17723.0768 0.0000 0.0000 33849.7980 -149664.1813 295.6187 -183513.9793 -149569.7366 298.6370 -101.3340 -71.8530 556082.8767 -7.4167 -7.7002 PRESSURE: 648000 128.307 -74.2259 -67.3608 -74.2259 96.4832 132.574 -67.3592 132.574 83.3646 GPRESSURE: 648000 175.328 -28.2021 -40.9445 10.9157 84.4386 115.678 -64.6979 122.014 138.303 PRESSAVG: 648000 17.6509 3.26914 -20.0278 3.26904 -4.63869 37.4835 -20.0278 37.4836 -1.16423 GPRESSAVG: 648000 17.6686 4.73271 -18.6913 0.491385 -3.27837 35.9711 -20.5064 37.2226 -2.58656 TIMING: 648000 CPU: 1919.4, 0.00299249/step Wall: 1919.4, 0.00299249/step, 3.61759 hours remaining, 205.910156 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: 648000 744.3748 2126.8226 1936.1177 124.9486 -206763.5039 17922.3605 0.0000 0.0000 34313.9968 -149594.8827 299.6727 -183908.8796 -149502.2335 298.5509 102.7182 132.6899 554539.5152 3.9493 3.9345 PRESSURE: 648200 33.8333 123.875 -12.7755 123.875 -106.599 10.4278 -12.7752 10.4274 14.3587 GPRESSURE: 648200 35.6308 69.1432 -2.01692 263.93 -85.5953 -56.3281 -57.838 12.8639 86.269 PRESSAVG: 648200 49.675 -12.9515 -18.8144 -12.9516 -14.962 -4.83132 -18.8144 -4.8312 -38.4717 GPRESSAVG: 648200 49.9974 -14.0847 -18.0554 -10.2581 -15.9079 -3.3987 -19.8173 -5.09941 -37.4025 TIMING: 648200 CPU: 1920, 0.00297056/step Wall: 1920, 0.00297056/step, 3.59091 hours remaining, 205.910156 MB of memory in use. ENERGY: 648200 758.3623 2078.1195 1940.9210 113.0110 -206204.9634 17740.7194 0.0000 0.0000 34043.6736 -149530.1567 297.3119 -183573.8303 -149431.9861 298.1827 -19.4690 12.1015 556967.2639 -1.2529 -1.1043 LDB: ============= START OF LOAD BALANCING ============== 1923.42 LDB: ============== END OF LOAD BALANCING =============== 1923.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1923.43 LDB: ============= START OF LOAD BALANCING ============== 1923.72 LDB: Largest compute 4820 load 0.033289 is 28.2% of average load 0.117892 LDB: Average compute 0.001729 is 1.5% of average load 0.117892 LDB: TIME 1923.72 LOAD: AVG 0.117892 MAX 0.197058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.719 MB LDB: TIME 1923.72 LOAD: AVG 0.117892 MAX 0.197058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: TIME 1923.73 LOAD: AVG 0.117892 MAX 0.197058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1923.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1923.73 PRESSURE: 648400 -56.5597 -114.63 132.412 -114.63 -44.7672 28.8856 132.413 28.8847 18.6905 GPRESSURE: 648400 -36.3826 -154.24 93.6714 -52.3464 -30.1063 57.7294 110.168 71.2089 68.363 PRESSAVG: 648400 -10.5976 -3.51977 26.7297 -3.51975 -10.7186 -49.7947 26.7297 -49.7948 49.6971 GPRESSAVG: 648400 -11.1781 -3.0731 24.6472 -3.22197 -10.8151 -50.9361 29.2208 -48.8613 49.9814 TIMING: 648400 CPU: 1920.6, 0.0030227/step Wall: 1920.6, 0.0030227/step, 3.65377 hours remaining, 206.230469 MB of memory in use. ENERGY: 648400 733.1612 2087.5144 1938.5768 104.3731 -206320.2162 17857.1400 0.0000 0.0000 34102.4010 -149497.0497 297.8247 -183599.4507 -149400.0659 298.1707 -27.5455 0.6247 557293.5556 9.4603 9.3294 PRESSURE: 648600 -263.305 -105.331 -119.467 -105.33 35.2784 -136.719 -119.466 -136.718 -102.783 GPRESSURE: 648600 -255.112 -30.946 -172.716 -148.119 38.9528 -131.803 -151.055 -162.039 -18.5482 PRESSAVG: 648600 48.1495 -37.0373 -9.84245 -37.0373 54.5387 -80.434 -9.84252 -80.4339 -64.6655 GPRESSAVG: 648600 49.1149 -36.0552 -10.5445 -35.9992 53.6239 -79.607 -8.8786 -81.187 -64.7487 TIMING: 648600 CPU: 1921.19, 0.00296344/step Wall: 1921.19, 0.00296344/step, 3.58197 hours remaining, 206.230469 MB of memory in use. ENERGY: 648600 783.0792 2066.3381 1962.7289 112.5219 -206178.2904 17727.0639 0.0000 0.0000 34072.8578 -149453.7006 297.5667 -183526.5585 -149354.5243 297.8818 -110.2699 -78.2358 556703.9918 12.6742 12.6633 PRESSURE: 648800 -121.146 20.9099 -71.111 20.9108 -157.161 39.3693 -71.1101 39.3695 -92.2337 GPRESSURE: 648800 -50.0971 66.6353 -16.4991 81.7872 -168.311 11.5496 -50.8007 -11.7345 -60.0901 PRESSAVG: 648800 37.5548 1.48554 -4.78707 1.48558 15.0649 -42.2008 -4.78699 -42.2008 16.451 GPRESSAVG: 648800 37.6414 0.134953 -2.4205 -0.234115 15.8749 -42.7465 -7.59746 -40.6231 16.1842 TIMING: 648800 CPU: 1921.79, 0.00296467/step Wall: 1921.79, 0.00296467/step, 3.58329 hours remaining, 206.230469 MB of memory in use. ENERGY: 648800 793.9857 2096.7175 1955.5212 119.0181 -206367.5806 17863.9347 0.0000 0.0000 34239.3496 -149299.0537 299.0208 -183538.4033 -149200.6729 298.6324 -123.5138 -92.8329 557572.2418 23.0236 23.2335 PRESSURE: 649000 134.717 52.0642 15.3109 52.0644 -101.694 115.497 15.3104 115.498 -50.6178 GPRESSURE: 649000 187.863 5.478 -2.8427 30.1393 -33.325 11.1987 81.0644 202.162 -58.6573 PRESSAVG: 649000 64.0396 1.36272 -48.7114 1.36276 -18.5694 -2.69039 -48.7114 -2.69039 -31.7058 GPRESSAVG: 649000 63.7445 2.05367 -49.5475 1.61604 -17.9394 -3.12791 -47.6907 -3.70377 -32.2192 TIMING: 649000 CPU: 1922.38, 0.00295865/step Wall: 1922.38, 0.00295865/step, 3.57586 hours remaining, 206.230469 MB of memory in use. ENERGY: 649000 743.3088 2089.1579 1958.3138 112.7436 -206286.1277 17838.9922 0.0000 0.0000 34298.8407 -149244.7705 299.5403 -183543.6112 -149142.3488 298.4886 -5.8648 31.9602 557132.2001 4.5881 4.5286 PRESSURE: 649200 21.9391 137.487 207.259 137.487 33.2221 104.521 207.258 104.521 -87.1623 GPRESSURE: 649200 35.699 107.697 219.863 109.081 60.7056 56.4718 178.232 152.91 -43.452 PRESSAVG: 649200 41.7996 37.5947 -45.9157 37.5947 -31.8163 -27.8955 -45.9157 -27.8956 -23.43 GPRESSAVG: 649200 42.4391 35.6144 -47.8717 38.1933 -32.0665 -27.5872 -43.6654 -29.1396 -23.9793 TIMING: 649200 CPU: 1922.97, 0.00296912/step Wall: 1922.97, 0.00296912/step, 3.58835 hours remaining, 206.230469 MB of memory in use. ENERGY: 649200 747.7463 2116.4875 1968.5161 105.2382 -206331.3951 17766.3939 0.0000 0.0000 34347.0733 -149279.9397 299.9615 -183627.0130 -149191.4737 298.8593 -10.6670 17.6508 557529.7021 -4.4823 -4.5356 PRESSURE: 649400 -119.517 21.8045 -70.1742 21.8048 -158.231 29.911 -70.1745 29.9102 181.156 GPRESSURE: 649400 -68.4008 -0.047606 -59.5382 -37.9469 -116.777 43.8599 -108.821 0.929996 167.059 PRESSAVG: 649400 -29.4044 26.9684 -64.0021 26.9683 -34.9035 58.9698 -64.0022 58.9698 77.4127 GPRESSAVG: 649400 -29.4299 27.2514 -64.3764 27.5638 -34.9467 58.914 -65.0278 61.3638 77.4621 TIMING: 649400 CPU: 1923.57, 0.0029839/step Wall: 1923.57, 0.0029839/step, 3.60605 hours remaining, 206.230469 MB of memory in use. ENERGY: 649400 736.7980 2095.7300 1948.8589 110.2296 -206477.9133 17945.4277 0.0000 0.0000 34353.9936 -149286.8756 300.0220 -183640.8692 -149191.1446 299.0854 -32.1974 -6.0398 557034.4275 4.3683 4.3618 PRESSURE: 649600 68.347 -22.8772 -61.2835 -22.8764 -107.733 -133.609 -61.2835 -133.607 -217.164 GPRESSURE: 649600 108.239 22.7581 0.23951 4.32399 -52.3517 -174.976 -71.9749 -93.1908 -204.629 PRESSAVG: 649600 11.7084 43.0974 -59.7288 43.0975 -6.26765 -5.44631 -59.7289 -5.44617 18.5828 GPRESSAVG: 649600 11.334 43.4724 -59.6892 41.6807 -5.90039 -6.22613 -58.1834 -6.00224 19.0158 TIMING: 649600 CPU: 1924.16, 0.00296437/step Wall: 1924.16, 0.00296437/step, 3.58228 hours remaining, 206.230469 MB of memory in use. ENERGY: 649600 763.5586 2091.2495 1954.3155 116.8299 -206403.5855 17864.7174 0.0000 0.0000 34301.5912 -149311.3234 299.5643 -183612.9146 -149215.5154 298.6137 -85.5169 -49.5806 558193.7765 8.0078 8.1498 PRESSURE: 649800 -237.285 -88.3055 -184.38 -88.3061 -10.0835 -16.866 -184.381 -16.8682 -305.037 GPRESSURE: 649800 -232.995 -102 -120.992 -114.624 -38.3682 -13.8566 -211.366 -76.2679 -190.26 PRESSAVG: 649800 -9.34251 12.5456 103.91 12.5456 -25.0958 -12.5181 103.91 -12.5183 16.6103 GPRESSAVG: 649800 -8.9128 11.8548 107.39 12.9614 -25.4392 -11.0206 102.207 -13.4693 16.3563 TIMING: 649800 CPU: 1924.76, 0.00296409/step Wall: 1924.76, 0.00296409/step, 3.58177 hours remaining, 206.230469 MB of memory in use. ENERGY: 649800 775.8427 2073.4224 1956.1352 111.1008 -206169.8881 17705.4515 0.0000 0.0000 34187.7399 -149360.1957 298.5700 -183547.9356 -149268.0312 299.3837 -184.1353 -153.8742 557747.0241 -5.9427 -5.9985 PRESSURE: 650000 -165.537 -110.783 25.76 -110.783 -161.538 -56.4624 25.7601 -56.4631 -339.602 GPRESSURE: 650000 -174.023 -68.4528 74.2278 -88.3261 -131.194 -132.004 43.3969 -13.0488 -261.219 PRESSAVG: 650000 13.7426 -2.23941 -0.534765 -2.2394 -8.19473 25.1356 -0.534663 25.1355 6.93634 GPRESSAVG: 650000 14.6413 -1.31639 -1.26405 -3.20099 -8.71237 25.2433 -0.360431 25.3143 6.33337 TIMING: 650000 CPU: 1925.35, 0.00295535/step Wall: 1925.35, 0.00295535/step, 3.57105 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: 650000 755.5450 2085.0851 1933.0215 97.6567 -206091.4239 17504.7238 0.0000 0.0000 34210.9342 -149504.4576 298.7726 -183715.3919 -149408.4490 298.4994 -222.2257 -188.8121 557930.4520 4.1614 4.0874 PRESSURE: 650200 -19.1284 -15.4835 34.992 -15.4825 -176.416 -114.033 34.9916 -114.032 -135.074 GPRESSURE: 650200 67.0248 -36.0818 50.2499 -13.3962 -193.956 -84.5462 -19.5946 -83.5641 -100.927 PRESSAVG: 650200 55.1404 -0.39999 49.3982 -0.400019 -33.1151 4.99522 49.3981 4.9953 -50.7917 GPRESSAVG: 650200 53.6709 0.0961159 47.5511 0.84507 -31.8857 3.71733 50.2164 4.87858 -50.242 TIMING: 650200 CPU: 1925.94, 0.00297285/step Wall: 1925.94, 0.00297285/step, 3.59203 hours remaining, 206.230469 MB of memory in use. ENERGY: 650200 783.9341 2121.4579 1962.4560 125.4511 -206465.2163 17764.2209 0.0000 0.0000 34175.5871 -149532.1092 298.4639 -183707.6963 -149442.0128 298.8934 -110.2061 -75.9526 556475.0625 -9.5888 -9.4856 PRESSURE: 650400 111.231 -42.4664 -33.3101 -42.4668 203.004 10.27 -33.3101 10.2698 96.397 GPRESSURE: 650400 111.095 -58.7763 -28.2942 28.3718 284.376 -0.0674466 -18.6793 -9.40983 103.168 PRESSAVG: 650400 26.9204 -22.8779 -47.6951 -22.8779 42.118 -36.6801 -47.6951 -36.6803 -9.87957 GPRESSAVG: 650400 27.2662 -25.602 -46.031 -21.0596 41.3917 -37.3427 -48.3964 -36.4278 -9.83276 TIMING: 650400 CPU: 1926.54, 0.00297141/step Wall: 1926.54, 0.00297141/step, 3.59012 hours remaining, 206.230469 MB of memory in use. ENERGY: 650400 755.5758 2089.5588 1960.5317 108.3481 -206302.5269 17938.7931 0.0000 0.0000 34154.5192 -149295.2001 298.2799 -183449.7194 -149204.2408 298.8187 136.8775 166.2131 556597.0210 19.7196 19.6084 PRESSURE: 650600 91.4066 -15.5249 -18.6402 -15.5249 -11.4328 -130.163 -18.6394 -130.163 -231.295 GPRESSURE: 650600 137.099 -7.31618 -23.6927 -120.629 28.35 -119.822 -67.4536 -138.777 -221.307 PRESSAVG: 650600 35.3084 6.08748 -5.72092 6.08755 -1.33567 0.0924552 -5.72095 0.0925112 -38.045 GPRESSAVG: 650600 35.7574 7.7136 -8.52427 4.95704 -0.551186 0.642407 -2.99991 0.632245 -39.3493 TIMING: 650600 CPU: 1927.13, 0.00295327/step Wall: 1927.13, 0.00295327/step, 3.56804 hours remaining, 206.230469 MB of memory in use. ENERGY: 650600 759.9491 2141.2630 1953.0329 105.3469 -206116.1019 17733.2197 0.0000 0.0000 34149.8692 -149273.4211 298.2393 -183423.2903 -149182.6951 299.5951 -50.4404 -18.6194 557196.5825 -1.3574 -1.3810 PRESSURE: 650800 -54.2924 43.3024 -190.058 43.3027 -31.2887 -56.8861 -190.057 -56.8851 -7.82919 GPRESSURE: 650800 39.3531 40.8886 -185.32 58.4239 -26.4186 -35.0194 -169.86 -85.4732 -5.22051 PRESSAVG: 650800 63.216 11.0769 -30.171 11.0768 -54.6952 17.2775 -30.171 17.2774 2.27105 GPRESSAVG: 650800 63.4221 9.33828 -29.58 10.6851 -55.1132 16.4218 -31.0001 16.6075 2.39934 TIMING: 650800 CPU: 1927.73, 0.00299809/step Wall: 1927.73, 0.00299809/step, 3.62202 hours remaining, 206.230469 MB of memory in use. ENERGY: 650800 761.9510 2098.4338 1965.1474 105.9624 -206383.4191 17918.8055 0.0000 0.0000 34107.0732 -149426.0458 297.8656 -183533.1190 -149335.3463 299.1681 -31.1368 2.5713 557140.6537 3.5973 3.5694 PRESSURE: 651000 -40.245 -202.537 -52.5106 -202.538 64.6982 47.6913 -52.5114 47.6913 176.255 GPRESSURE: 651000 -2.70677 -179.552 -54.3794 -158.631 115.002 13.9307 12.5371 78.4494 179.161 PRESSAVG: 651000 -15.3198 12.8251 -38.8984 12.8252 52.8228 17.1789 -38.8984 17.179 -41.1146 GPRESSAVG: 651000 -15.483 14.0444 -36.1783 11.8363 51.8921 17.9045 -40.7364 15.9253 -40.0247 TIMING: 651000 CPU: 1928.33, 0.0030063/step Wall: 1928.33, 0.0030063/step, 3.63178 hours remaining, 206.230469 MB of memory in use. ENERGY: 651000 751.0604 2158.7795 1941.7320 110.4149 -206723.8763 18005.2893 0.0000 0.0000 34316.3282 -149440.2721 299.6930 -183756.6002 -149340.7214 298.4754 66.9028 97.1518 557288.4836 -1.2039 -1.2052 PRESSURE: 651200 -165.56 22.857 100.048 22.8567 -18.7439 -52.9365 100.047 -52.9387 -438.573 GPRESSURE: 651200 -120.593 12.3132 71.7276 9.4775 -11.1553 30.4284 52.8526 -29.4612 -397.657 PRESSAVG: 651200 24.5115 7.11861 -51.4891 7.11856 9.06323 55.9323 -51.4892 55.9323 -12.6315 GPRESSAVG: 651200 24.221 7.06759 -52.2317 6.59194 9.75776 56.429 -49.7533 56.7917 -12.9424 TIMING: 651200 CPU: 1928.93, 0.00301256/step Wall: 1928.93, 0.00301256/step, 3.63917 hours remaining, 206.230469 MB of memory in use. ENERGY: 651200 743.4693 2138.6101 1959.1555 107.6216 -205912.0392 17454.3721 0.0000 0.0000 34203.5297 -149305.2810 298.7079 -183508.8107 -149204.5249 299.1280 -207.6258 -176.4682 558870.9732 6.9811 7.0121 PRESSURE: 651400 111.965 -39.2051 -48.0701 -39.2061 -197.897 23.4687 -48.0695 23.4685 -93.2316 GPRESSURE: 651400 129.303 -32.9416 69.1892 -7.8184 -117.021 0.130899 -65.5032 53.3655 -104.788 PRESSAVG: 651400 -51.8401 -9.44941 20.5394 -9.44943 71.3837 90.6756 20.5394 90.6756 -16.2865 GPRESSAVG: 651400 -51.8694 -10.9653 22.669 -7.25357 71.4872 91.2076 19.3174 91.2247 -15.5191 TIMING: 651400 CPU: 1929.53, 0.00300957/step Wall: 1929.53, 0.00300957/step, 3.6354 hours remaining, 206.230469 MB of memory in use. ENERGY: 651400 734.7863 2051.8669 1968.4469 123.2384 -206122.6609 17758.3370 0.0000 0.0000 34225.9003 -149260.0850 298.9033 -183485.9854 -149160.0629 299.2970 -59.7209 -30.8354 558433.7746 1.0857 1.3663 PRESSURE: 651600 150.525 204.646 247.68 204.647 207.857 33.3752 247.679 33.375 142.659 GPRESSURE: 651600 157.652 189.669 361.319 138.714 254.852 161.195 213.183 2.39797 180.014 PRESSAVG: 651600 8.49317 4.91957 74.9439 4.91952 -13.264 4.35858 74.9439 4.3586 -7.78841 GPRESSAVG: 651600 9.24794 5.36738 74.4891 2.82906 -13.9952 5.78841 74.7833 4.46534 -8.36183 TIMING: 651600 CPU: 1930.13, 0.00301698/step Wall: 1930.13, 0.00301698/step, 3.64418 hours remaining, 206.230469 MB of memory in use. ENERGY: 651600 760.8097 2098.8011 1949.9453 106.0392 -206747.0234 18130.0623 0.0000 0.0000 34408.0609 -149293.3049 300.4942 -183701.3658 -149198.2950 298.8811 167.0137 197.5058 557182.5344 -4.1864 -4.3697 PRESSURE: 651800 -116.558 -124.283 -71.9282 -124.283 -204.177 16.4226 -71.9281 16.4233 -37.7992 GPRESSURE: 651800 -80.0673 -141.342 -26.9493 -108.214 -234.23 81.7593 -136.785 -64.3815 48.6613 PRESSAVG: 651800 0.633919 8.77852 36.7274 8.77851 -3.30392 46.0795 36.7276 46.0795 39.4901 GPRESSAVG: 651800 -0.305111 9.5207 34.8087 11.3269 -2.48384 45.1979 36.7935 45.0735 39.5633 TIMING: 651800 CPU: 1930.73, 0.00298766/step Wall: 1930.73, 0.00298766/step, 3.60859 hours remaining, 206.230469 MB of memory in use. ENERGY: 651800 729.6432 2093.9723 1961.6757 109.6487 -206238.0434 17630.3088 0.0000 0.0000 34284.4124 -149428.3823 299.4143 -183712.7947 -149328.4214 298.7143 -119.5113 -88.5454 559131.5362 12.2734 12.2581 PRESSURE: 652000 -43.5122 70.1979 22.6598 70.1991 -267.42 -181.095 22.6596 -181.096 -45.8208 GPRESSURE: 652000 0.149017 122.064 5.43162 41.0464 -180.306 -156.238 43.8144 -182.789 -84.9076 PRESSAVG: 652000 17.2655 -13.2287 23.6949 -13.2287 -35.6897 17.7972 23.6948 17.7973 12.3508 GPRESSAVG: 652000 17.431 -11.6882 24.9016 -14.062 -37.3451 16.4579 24.0193 19.1885 13.3425 TIMING: 652000 CPU: 1931.33, 0.00298435/step Wall: 1931.33, 0.00298435/step, 3.60443 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: 652000 763.5236 2067.8515 1954.1819 107.5951 -205990.6293 17526.7224 0.0000 0.0000 34128.8792 -149441.8757 298.0560 -183570.7549 -149343.6823 297.7280 -118.9176 -88.3547 557234.3719 -2.0245 -2.1905 PRESSURE: 652200 5.93583 -157.221 11.159 -157.221 -205.439 -52.5326 11.16 -52.5331 -25.9307 GPRESSURE: 652200 55.4214 -174.826 73.1509 -85.1568 -184.983 -64.0407 77.2391 4.22584 -5.27925 PRESSAVG: 652200 40.9801 -14.313 -2.39273 -14.3131 -61.9314 -8.52353 -2.39276 -8.52343 58.7161 GPRESSAVG: 652200 40.977 -15.2078 -3.12569 -13.4035 -61.5679 -7.95681 -1.59881 -7.70844 58.2649 TIMING: 652200 CPU: 1931.92, 0.00296752/step Wall: 1931.92, 0.00296752/step, 3.58394 hours remaining, 206.230469 MB of memory in use. ENERGY: 652200 767.6562 2082.1659 1953.7124 117.7811 -205955.2531 17639.4040 0.0000 0.0000 34187.2155 -149207.3181 298.5655 -183394.5336 -149106.1227 298.6699 -75.1445 -44.9469 558633.7616 12.5883 12.5580 LDB: ============= START OF LOAD BALANCING ============== 1935.35 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 1935.35 LDB: =============== DONE WITH MIGRATION ================ 1935.35 LDB: ============= START OF LOAD BALANCING ============== 1935.65 LDB: Largest compute 4820 load 0.031768 is 27.0% of average load 0.117810 LDB: Average compute 0.001726 is 1.5% of average load 0.117810 LDB: TIME 1935.65 LOAD: AVG 0.11781 MAX 0.197346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.207 MB LDB: TIME 1935.65 LOAD: AVG 0.11781 MAX 0.197346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.414 MB LDB: TIME 1935.65 LOAD: AVG 0.11781 MAX 0.197346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.414 MB LDB: ============== END OF LOAD BALANCING =============== 1935.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 1935.66 Info: useSync: 0 useProxySync: 0 PRESSURE: 652400 35.8998 76.3418 -0.431808 76.3433 -26.7165 -87.1202 -0.430826 -87.1188 24.5832 GPRESSURE: 652400 94.0142 78.6165 36.3918 91.2507 -7.20676 -68.9429 61.5347 -50.1933 39.6479 PRESSAVG: 652400 -34.7585 -6.67892 -30.8763 -6.67893 -1.35227 -5.66476 -30.8763 -5.66485 19.2659 GPRESSAVG: 652400 -34.4236 -6.50407 -28.9808 -7.44614 -2.17075 -6.81528 -31.4453 -4.77774 19.4484 TIMING: 652400 CPU: 1932.53, 0.00302647/step Wall: 1932.53, 0.00302647/step, 3.65497 hours remaining, 206.230469 MB of memory in use. ENERGY: 652400 695.4364 2107.2524 1967.3568 111.0218 -206213.0886 17764.8233 0.0000 0.0000 34320.4792 -149246.7187 299.7293 -183567.1979 -149147.6902 298.8251 11.2555 42.1518 558425.2563 -5.6150 -5.7153 PRESSURE: 652600 23.4462 -95.5565 -136.921 -95.5576 131.552 145.59 -136.922 145.59 -68.8213 GPRESSURE: 652600 30.6201 -119.295 -172.21 -105.599 195.452 207.739 -154.491 171.31 -57.3072 PRESSAVG: 652600 -16.7155 -72.1615 -38.5043 -72.1616 -22.0959 22.7744 -38.5044 22.7745 56.0566 GPRESSAVG: 652600 -16.5784 -71.5092 -38.9658 -73.2905 -22.0612 23.3964 -39.5264 23.4018 56.129 TIMING: 652600 CPU: 1933.12, 0.00298001/step Wall: 1933.12, 0.00298001/step, 3.59869 hours remaining, 206.230469 MB of memory in use. ENERGY: 652600 704.4484 2100.8530 1940.9118 112.5362 -206160.4293 17854.2682 0.0000 0.0000 34140.7181 -149306.6937 298.1594 -183447.4118 -149212.6748 298.8748 28.7257 56.2549 558176.0154 5.7484 5.8298 PRESSURE: 652800 -186.129 42.4457 -58.2594 42.4468 -60.5837 194.892 -58.2594 194.891 -240.954 GPRESSURE: 652800 -149.795 -29.7733 -103.281 -3.26266 -95.3879 213.457 -40.3994 170.357 -145.73 PRESSAVG: 652800 27.6449 -1.4786 -85.997 -1.47856 18.4331 50.8056 -85.9969 50.8056 20.6237 GPRESSAVG: 652800 26.3026 -2.71294 -85.0493 1.12584 20.7765 50.1421 -85.0811 48.6049 19.4508 TIMING: 652800 CPU: 1933.72, 0.00295963/step Wall: 1933.72, 0.00295963/step, 3.57392 hours remaining, 206.230469 MB of memory in use. ENERGY: 652800 740.8648 2088.3644 1970.3441 116.8453 -206088.0585 17674.3357 0.0000 0.0000 34215.5512 -149281.7530 298.8129 -183497.3042 -149186.4217 298.9597 -162.5556 -130.3044 557944.1255 22.2339 22.1766 PRESSURE: 653000 -47.2188 -24.3967 45.644 -24.3952 -58.3907 -68.358 45.6442 -68.3593 -134.698 GPRESSURE: 653000 -32.8621 -9.23334 111.488 -68.4005 4.97327 -150.23 74.1738 -92.5728 -122.833 PRESSAVG: 653000 -17.2641 -15.263 -72.7496 -15.263 -31.7252 41.1414 -72.7496 41.1415 15.526 GPRESSAVG: 653000 -17.9413 -18.058 -73.2094 -16.3234 -32.3777 41.9882 -72.5387 42.9087 16.8865 TIMING: 653000 CPU: 1934.31, 0.00297357/step Wall: 1934.31, 0.00297357/step, 3.59059 hours remaining, 206.230469 MB of memory in use. ENERGY: 653000 753.8111 2086.7948 1976.7126 107.8811 -206490.5100 18003.8372 0.0000 0.0000 34304.1754 -149257.2977 299.5869 -183561.4731 -149165.3938 299.1939 -80.1026 -50.2405 559004.8363 -11.1544 -11.1442 PRESSURE: 653200 -182.029 52.1312 14.8085 52.1315 -19.1911 -2.11683 14.8078 -2.11683 -92.5456 GPRESSURE: 653200 -136.931 48.6217 30.5599 63.2119 47.4915 20.6054 50.5579 -7.28386 -107.207 PRESSAVG: 653200 -29.5871 31.1692 -20.3356 31.1692 30.8055 -23.6281 -20.3357 -23.628 -2.27886 GPRESSAVG: 653200 -26.8545 34.373 -22.0163 30.7682 29.5475 -23.4016 -18.7771 -25.4993 -3.75133 TIMING: 653200 CPU: 1934.91, 0.0029758/step Wall: 1934.91, 0.0029758/step, 3.59311 hours remaining, 206.230469 MB of memory in use. ENERGY: 653200 707.7245 2058.5644 1972.2372 110.8239 -206039.4557 17634.1184 0.0000 0.0000 34198.0509 -149357.9364 298.6601 -183555.9872 -149255.0447 298.4361 -97.9219 -65.5489 557724.0422 -0.3535 -0.3528 PRESSURE: 653400 51.5658 27.7733 -144.238 27.7722 -24.1613 -60.4858 -144.239 -60.4846 -319.772 GPRESSURE: 653400 109.396 71.4663 -105.299 -2.10497 -4.55634 -108.236 -231.377 -31.5566 -295.531 PRESSAVG: 653400 46.138 29.3995 19.2379 29.3996 -11.7781 -16.0382 19.238 -16.0383 -19.7927 GPRESSAVG: 653400 45.9396 29.318 18.8782 27.7948 -12.2277 -15.8789 18.8192 -15.5793 -18.9783 TIMING: 653400 CPU: 1935.5, 0.00297759/step Wall: 1935.5, 0.00297759/step, 3.59511 hours remaining, 206.230469 MB of memory in use. ENERGY: 653400 749.1814 2101.9173 1968.2549 116.0208 -206064.1824 17720.7804 0.0000 0.0000 33994.5682 -149413.4594 296.8830 -183408.0276 -149316.0780 298.1632 -97.4559 -63.5640 557952.3304 4.8557 4.9112 PRESSURE: 653600 151.52 28.5829 35.5015 28.5841 -50.0533 -151.06 35.5006 -151.06 -107.697 GPRESSURE: 653600 189.343 43.4914 53.5945 -24.6999 -79.128 -32.5856 67.4295 -149.283 -14.5347 PRESSAVG: 653600 37.5587 12.539 12.8386 12.5391 17.0969 -31.3334 12.8387 -31.3335 -33.1877 GPRESSAVG: 653600 34.4599 10.335 14.0677 13.653 20.2345 -32.3388 10.8267 -30.9143 -33.2393 TIMING: 653600 CPU: 1936.09, 0.0029555/step Wall: 1936.09, 0.0029555/step, 3.56827 hours remaining, 206.230469 MB of memory in use. ENERGY: 653600 752.2626 2069.1661 1931.1992 109.4572 -206613.6819 18034.6088 0.0000 0.0000 34244.0778 -149472.9101 299.0620 -183716.9878 -149376.3954 298.2682 -2.0767 31.8934 558142.6448 7.1560 7.1517 PRESSURE: 653800 -100.836 -45.7907 18.1755 -45.7911 -3.78166 24.0243 18.1754 24.0243 -156.138 GPRESSURE: 653800 -72.1318 -80.7758 -38.2114 -3.87462 45.3618 -72.6346 37.5658 49.3874 -160.985 PRESSAVG: 653800 29.3528 2.49217 46.1747 2.49214 -27.7778 -1.88659 46.1747 -1.88655 -36.8037 GPRESSAVG: 653800 30.7085 5.75997 45.0732 0.76667 -29.0995 -1.56584 46.8845 -0.823813 -37.4008 TIMING: 653800 CPU: 1936.69, 0.00298264/step Wall: 1936.69, 0.00298264/step, 3.60088 hours remaining, 206.230469 MB of memory in use. ENERGY: 653800 765.9197 2120.6046 1957.2876 95.2767 -205925.5652 17499.2311 0.0000 0.0000 34281.6223 -149205.6233 299.3899 -183487.2455 -149104.8691 298.2264 -86.9186 -62.5851 557331.3238 -11.7429 -11.9306 PRESSURE: 654000 -151.556 13.0457 35.1714 13.0465 -258.708 -12.0107 35.1715 -12.0107 -68.274 GPRESSURE: 654000 -123.27 83.1957 24.1528 -33.9626 -167.519 28.0626 109.936 -41.4153 -78.3657 PRESSAVG: 654000 26.0062 -0.0896747 -68.6102 -0.0895917 -33.2224 -17.076 -68.6102 -17.0759 13.0684 GPRESSAVG: 654000 26.7665 -1.12119 -69.0046 2.75133 -33.2488 -17.5889 -67.0403 -17.5285 12.601 TIMING: 654000 CPU: 1937.28, 0.00297159/step Wall: 1937.28, 0.00297159/step, 3.58737 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: 654000 750.9501 2093.3134 1961.6989 113.3937 -206024.0743 17473.5979 0.0000 0.0000 34170.7259 -149460.3944 298.4214 -183631.1203 -149362.6594 298.4156 -159.5127 -123.0517 556410.3468 1.9508 2.0396 PRESSURE: 654200 128.297 -43.0677 107.824 -43.0686 4.67324 147.086 107.823 147.085 85.4338 GPRESSURE: 654200 162.801 66.6154 125.029 -92.0679 44.2135 72.6199 149.896 132.661 105.792 PRESSAVG: 654200 20.1561 2.50518 13.9047 2.50528 -29.4872 47.3912 13.9046 47.3912 28.2053 GPRESSAVG: 654200 20.2514 1.31857 15.7985 1.57405 -29.6537 49.417 12.8248 44.3186 27.953 TIMING: 654200 CPU: 1937.88, 0.00299042/step Wall: 1937.88, 0.00299042/step, 3.60993 hours remaining, 206.230469 MB of memory in use. ENERGY: 654200 735.7970 2089.4862 1944.3835 111.0334 -206529.4019 18064.9158 0.0000 0.0000 34201.0660 -149382.7199 298.6864 -183583.7858 -149283.3032 298.7945 72.8014 104.2689 557744.5848 6.2914 6.1836 PRESSURE: 654400 -106.468 -98.1188 83.5919 -98.1191 -200.054 -95.4684 83.5911 -95.468 183.647 GPRESSURE: 654400 -108.916 -135.476 -27.78 -84.1154 -108.585 -45.6703 49.2031 -89.8928 194.085 PRESSAVG: 654400 -13.0455 6.01066 -16.6818 6.01065 -51.4527 65.1313 -16.6818 65.1313 97.3358 GPRESSAVG: 654400 -13.749 6.93541 -19.1719 5.52874 -50.2423 64.7508 -15.9061 66.5844 96.9169 TIMING: 654400 CPU: 1938.47, 0.0029538/step Wall: 1938.47, 0.0029538/step, 3.56557 hours remaining, 206.230469 MB of memory in use. ENERGY: 654400 782.9490 2068.8274 1962.8767 116.0079 -206192.1734 17766.0098 0.0000 0.0000 34212.2067 -149283.2959 298.7837 -183495.5025 -149182.1427 298.3929 -40.9586 -7.8051 557583.4522 10.9458 10.9752 PRESSURE: 654600 -206.029 -20.6215 66.1326 -20.6216 -219.334 301.553 66.1328 301.554 -457.208 GPRESSURE: 654600 -188.468 -25.5829 31.8194 17.3369 -183.281 250.975 64.7844 347.304 -428.287 PRESSAVG: 654600 14.8955 -42.1913 10.8469 -42.1913 -14.0219 22.3498 10.8469 22.35 11.5555 GPRESSAVG: 654600 16.3668 -41.6947 12.3081 -42.8574 -16.2063 21.9776 10.2139 23.2066 12.0656 TIMING: 654600 CPU: 1939.07, 0.00298106/step Wall: 1939.07, 0.00298106/step, 3.5983 hours remaining, 206.230469 MB of memory in use. ENERGY: 654600 751.6178 2068.8891 1950.2926 102.3872 -205823.0575 17307.7708 0.0000 0.0000 34274.5736 -149367.5264 299.3284 -183642.1000 -149270.4420 298.3652 -294.1903 -266.6788 557934.0611 4.1430 4.0754 PRESSURE: 654800 -149.588 -44.9805 9.52216 -44.98 -4.76953 7.22424 9.52263 7.22474 92.7442 GPRESSURE: 654800 -143.947 -53.5568 33.927 47.2643 -20.3647 -34.2733 14.4792 66.0695 179.467 PRESSAVG: 654800 -93.1565 -12.2719 21.1319 -12.2719 -31.9008 64.0346 21.1319 64.0346 52.6711 GPRESSAVG: 654800 -94.1641 -12.3139 19.6756 -12.8182 -31.7073 63.7396 22.5402 63.6184 53.2296 TIMING: 654800 CPU: 1939.66, 0.0029799/step Wall: 1939.66, 0.0029799/step, 3.59674 hours remaining, 206.230469 MB of memory in use. ENERGY: 654800 713.0281 2018.2649 1953.0754 128.5607 -206016.8718 17741.8032 0.0000 0.0000 34220.7339 -149241.4056 298.8582 -183462.1395 -149151.7840 299.3162 -20.5378 5.0518 557144.0159 -24.1287 -24.2139 PRESSURE: 655000 -211.411 190.739 -82.248 190.738 -42.5931 76.8437 -82.2483 76.8438 -384.95 GPRESSURE: 655000 -223.126 157.484 -24.0066 200.947 8.22127 132.74 -77.2515 90.2711 -325.062 PRESSAVG: 655000 19.2301 33.1723 66.3454 33.1724 5.14973 28.0909 66.3454 28.0909 3.60987 GPRESSAVG: 655000 19.2351 32.7295 68.8732 34.7008 5.03867 27.3328 64.4934 27.9056 3.80421 TIMING: 655000 CPU: 1940.26, 0.00298592/step Wall: 1940.26, 0.00298592/step, 3.60384 hours remaining, 206.230469 MB of memory in use. ENERGY: 655000 739.7417 2100.9383 1963.9080 99.2224 -205595.1607 17379.1473 0.0000 0.0000 34205.2324 -149106.9705 298.7228 -183312.2029 -149011.9788 299.3043 -212.9847 -179.9890 557734.0530 9.3299 9.3593 PRESSURE: 655200 54.5161 13.4109 53.5069 13.4118 -259.367 -71.8135 53.5073 -71.8131 108.904 GPRESSURE: 655200 95.5981 12.9147 2.14034 90.0813 -175.577 10.0119 170.472 -126.095 78.389 PRESSAVG: 655200 38.7028 3.85223 -0.616616 3.85223 -15.3833 3.10732 -0.616679 3.1073 6.58261 GPRESSAVG: 655200 39.107 3.92819 -2.35787 2.62548 -15.2621 2.90319 0.574396 1.97043 6.16623 TIMING: 655200 CPU: 1940.86, 0.0029962/step Wall: 1940.86, 0.0029962/step, 3.61608 hours remaining, 206.230469 MB of memory in use. ENERGY: 655200 764.6605 2059.2660 1927.6052 108.6156 -206296.2282 17935.2423 0.0000 0.0000 34257.4387 -149243.3999 299.1787 -183500.8386 -149137.1297 299.2321 -31.9823 -0.5301 556773.8587 9.9674 10.0037 PRESSURE: 655400 -50.3302 -24.2776 55.0238 -24.2777 -201.849 -55.6877 55.0232 -55.686 31.8615 GPRESSURE: 655400 -64.8882 -33.4922 86.9015 -9.81233 -141.624 -14.4621 12.885 6.84122 83.8296 PRESSAVG: 655400 -13.7468 -12.3923 23.9146 -12.3922 15.5363 -60.3974 23.9147 -60.3973 -33.4314 GPRESSAVG: 655400 -13.3149 -12.4967 22.9866 -10.7354 16.9981 -60.9829 21.6316 -58.5502 -35.4866 TIMING: 655400 CPU: 1941.46, 0.00297399/step Wall: 1941.46, 0.00297399/step, 3.58911 hours remaining, 206.230469 MB of memory in use. ENERGY: 655400 716.9768 2066.2842 1953.0298 112.6860 -205569.3521 17547.5122 0.0000 0.0000 34012.9226 -149159.9406 297.0433 -183172.8632 -149061.6334 298.5304 -73.4393 -40.8943 558986.7278 -10.5473 -10.6011 PRESSURE: 655600 105.238 -77.9302 -22.8701 -77.9306 260.042 -42.7904 -22.8701 -42.7914 -263.95 GPRESSURE: 655600 122.453 -61.0996 37.886 32.9498 268.497 -39.6706 -25.5014 -108.501 -200.17 PRESSAVG: 655600 43.2412 5.25645 -5.85985 5.25647 16.2001 25.8312 -5.85986 25.8313 -8.46412 GPRESSAVG: 655600 42.4682 5.44176 -5.44042 4.85389 15.7849 26.006 -2.95487 25.886 -7.18109 TIMING: 655600 CPU: 1942.05, 0.00297843/step Wall: 1942.05, 0.00297843/step, 3.5943 hours remaining, 206.230469 MB of memory in use. ENERGY: 655600 733.2333 2093.5456 1937.2341 115.4456 -205979.9259 17837.9261 0.0000 0.0000 34219.9358 -149042.6054 298.8512 -183262.5412 -148944.0005 298.8334 33.7766 63.5930 558424.5381 16.9924 17.0240 PRESSURE: 655800 107.248 83.0636 -31.5572 83.0646 28.2289 -150.803 -31.5578 -150.803 -69.0223 GPRESSURE: 655800 90.5334 89.9338 -75.9669 136.379 93.6077 -129.471 89.785 -113.925 -32.5808 PRESSAVG: 655800 59.6413 12.3219 0.00173986 12.3219 1.72405 48.3521 0.00176524 48.3522 -57.2505 GPRESSAVG: 655800 60.8137 11.7064 0.577478 13.283 0.352731 49.7106 -1.12511 47.4859 -56.5852 TIMING: 655800 CPU: 1942.65, 0.00299256/step Wall: 1942.65, 0.00299256/step, 3.61119 hours remaining, 206.230469 MB of memory in use. ENERGY: 655800 791.2850 2088.3019 1932.6747 115.0389 -206279.4433 18075.5260 0.0000 0.0000 34101.4850 -149175.1319 297.8167 -183276.6168 -149079.3744 299.1369 22.1515 50.5201 558945.1185 1.3716 1.5271 PRESSURE: 656000 -74.8219 1.40338 132.078 1.40247 -49.2902 3.16823 132.078 3.16799 -136.493 GPRESSURE: 656000 -38.4941 41.226 118.643 -52.9114 -10.4846 -8.61222 111.486 -14.7259 -99.544 PRESSAVG: 656000 73.0379 6.55887 -3.43952 6.55893 -6.83936 13.9475 -3.43958 13.9475 -67.973 GPRESSAVG: 656000 72.6218 8.72348 -3.70984 5.95969 -6.27738 12.8364 -4.4599 14.272 -68.331 TIMING: 656000 CPU: 1943.24, 0.00296295/step Wall: 1943.24, 0.00296295/step, 3.57529 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: 656000 724.0785 2087.9749 1941.3488 121.4417 -206090.4158 17740.5043 0.0000 0.0000 34250.2836 -149224.7840 299.1162 -183475.0676 -149136.4854 298.8512 -86.8684 -49.5075 559530.6789 -0.5915 -0.6622 PRESSURE: 656200 94.4103 -128.984 36.3763 -128.983 -178.487 -50.978 36.3755 -50.9775 87.2028 GPRESSURE: 656200 97.3895 -127.778 71.8621 -144.702 -140.855 -15.1592 89.012 0.0716586 145.945 PRESSAVG: 656200 -15.3462 15.1978 59.4097 15.1977 -29.6805 -19.6045 59.4097 -19.6045 32.8083 GPRESSAVG: 656200 -16.4346 12.5618 60.6877 14.4778 -28.3143 -18.964 60.9618 -19.4919 32.526 TIMING: 656200 CPU: 1943.84, 0.00297634/step Wall: 1943.84, 0.00297634/step, 3.59129 hours remaining, 206.230469 MB of memory in use. ENERGY: 656200 692.4215 2104.0874 1936.8103 109.9277 -206389.6156 17743.5995 0.0000 0.0000 34392.8649 -149409.9043 300.3614 -183802.7692 -149311.4142 298.8879 1.0419 34.1598 557225.3768 -4.0728 -4.0743 LDB: ============= START OF LOAD BALANCING ============== 1947.27 LDB: ============== END OF LOAD BALANCING =============== 1947.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1947.27 LDB: ============= START OF LOAD BALANCING ============== 1947.56 LDB: Largest compute 4820 load 0.032496 is 27.6% of average load 0.117768 LDB: Average compute 0.001732 is 1.5% of average load 0.117768 LDB: TIME 1947.57 LOAD: AVG 0.117768 MAX 0.195772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.492 MB LDB: TIME 1947.57 LOAD: AVG 0.117768 MAX 0.195772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.555 MB LDB: TIME 1947.57 LOAD: AVG 0.117768 MAX 0.195772 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.555 MB LDB: ============== END OF LOAD BALANCING =============== 1947.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1947.57 PRESSURE: 656400 0.199593 -156.451 156.256 -156.452 62.1164 10.0919 156.255 10.0912 55.5722 GPRESSURE: 656400 0.886794 -121.146 123.939 -168.989 85.0299 29.1398 117.725 37.961 125.026 PRESSAVG: 656400 3.08476 25.1209 7.34284 25.1209 -41.259 -10.2438 7.3428 -10.2439 -13.1596 GPRESSAVG: 656400 3.42927 26.9079 7.70176 26.4956 -41.9818 -10.7668 6.31016 -9.5888 -13.5675 TIMING: 656400 CPU: 1944.44, 0.00303347/step Wall: 1944.44, 0.00303347/step, 3.66005 hours remaining, 206.691406 MB of memory in use. ENERGY: 656400 721.9732 2069.9551 1963.8407 116.0319 -206374.6209 17909.6282 0.0000 0.0000 34196.3862 -149396.8057 298.6455 -183593.1920 -149300.0528 298.5671 39.2961 70.3141 556850.6939 -17.1113 -17.3733 PRESSURE: 656600 -181.485 -95.9114 154.397 -95.911 -37.2908 -106.01 154.398 -106.009 -30.2624 GPRESSURE: 656600 -54.9366 -21.4829 138.7 -73.0575 -12.4502 -104.594 163.987 -156.222 -87.0105 PRESSAVG: 656600 -23.3818 -7.02108 15.8985 -7.02105 20.4574 -5.83144 15.8985 -5.83141 24.5807 GPRESSAVG: 656600 -23.2593 -6.29012 15.3641 -8.82604 21.1067 -7.63102 14.9851 -6.70356 24.099 TIMING: 656600 CPU: 1945.04, 0.00297531/step Wall: 1945.04, 0.00297531/step, 3.58971 hours remaining, 206.894531 MB of memory in use. ENERGY: 656600 726.7192 2070.4449 1940.0129 108.3332 -206120.2029 17589.9632 0.0000 0.0000 34164.3952 -149520.3342 298.3662 -183684.7294 -149421.8024 297.7437 -83.0127 -51.4658 556922.0735 7.2188 7.3155 PRESSURE: 656800 28.5179 -113.376 -75.1391 -113.376 135.299 44.8463 -75.1395 44.8472 80.3658 GPRESSURE: 656800 73.8848 -127.867 -28.3098 -38.5071 175.057 71.8206 -77.5425 -20.4382 88.4279 PRESSAVG: 656800 -10.5351 -59.1533 -5.80278 -59.1533 17.8964 2.72649 -5.80289 2.72655 4.08476 GPRESSAVG: 656800 -9.9545 -59.597 -5.44161 -56.7983 16.3468 5.26268 -5.58902 2.43139 5.10296 TIMING: 656800 CPU: 1945.63, 0.00293866/step Wall: 1945.63, 0.00293866/step, 3.54533 hours remaining, 206.894531 MB of memory in use. ENERGY: 656800 725.6423 2096.6746 1965.5542 113.4920 -206650.6969 18007.9134 0.0000 0.0000 34331.0520 -149410.3684 299.8216 -183741.4204 -149313.0060 297.8132 81.3943 112.4567 555758.9138 3.8154 3.8318 PRESSURE: 657000 -169.371 148.868 -163.338 148.867 -90.5184 -277.088 -163.339 -277.089 -85.0742 GPRESSURE: 657000 -125.007 255.79 -75.5201 104.492 -44.5105 -230.942 -169.305 -254.909 -82.1939 PRESSAVG: 657000 -27.5484 -28.5083 -4.20804 -28.5082 41.2809 8.38378 -4.20799 8.38387 -26.4096 GPRESSAVG: 657000 -27.9962 -26.9399 -6.01104 -28.3651 43.1975 6.98826 -3.12244 9.30378 -27.7679 TIMING: 657000 CPU: 1946.22, 0.00297034/step Wall: 1946.22, 0.00297034/step, 3.58339 hours remaining, 206.894531 MB of memory in use. ENERGY: 657000 778.7609 2091.3214 1951.9407 114.2532 -206049.5755 17745.4618 0.0000 0.0000 34157.6018 -149210.2355 298.3068 -183367.8374 -149111.8336 298.9573 -114.9879 -83.9039 557265.9886 -4.2257 -4.1889 PRESSURE: 657200 -22.4481 -107.072 3.50653 -107.071 -155.679 36.0389 3.50596 36.0369 -195.9 GPRESSURE: 657200 -33.4856 -45.0565 47.8605 -100.832 -97.8051 -51.6962 -29.6448 5.71889 -141.303 PRESSAVG: 657200 63.6112 11.1336 23.8493 11.1337 -52.7243 -56.7963 23.8493 -56.7962 -52.5339 GPRESSAVG: 657200 63.4314 10.7413 25.6697 9.72003 -53.0508 -56.2988 22.1112 -56.4231 -51.8479 TIMING: 657200 CPU: 1946.82, 0.00298106/step Wall: 1946.82, 0.00298106/step, 3.59616 hours remaining, 206.894531 MB of memory in use. ENERGY: 657200 770.9664 2121.8635 1946.0834 104.5575 -205841.3089 17602.9970 0.0000 0.0000 34218.2928 -149076.5482 298.8369 -183294.8410 -148977.8478 298.8428 -124.6755 -90.8644 559085.0840 -13.8823 -13.8224 PRESSURE: 657400 -150.704 70.5435 -55.161 70.5435 -9.60696 73.5066 -55.1598 73.507 -331.023 GPRESSURE: 657400 -162.121 109.478 -22.648 -2.30313 37.6353 38.9402 7.65495 94.1204 -279.85 PRESSAVG: 657400 -1.78627 32.2864 24.5656 32.2864 51.8851 -81.2543 24.5656 -81.2543 -20.1474 GPRESSAVG: 657400 -1.20381 32.2156 24.3586 33.2934 50.427 -81.9575 26.4185 -81.1354 -18.8384 TIMING: 657400 CPU: 1947.41, 0.00298379/step Wall: 1947.41, 0.00298379/step, 3.59928 hours remaining, 206.894531 MB of memory in use. ENERGY: 657400 723.8571 2003.2751 1972.9830 123.9604 -205770.8701 17594.1873 0.0000 0.0000 34364.5184 -148988.0888 300.1139 -183352.6072 -148892.4057 299.0682 -163.7779 -134.7784 558981.2845 9.9838 10.1283 PRESSURE: 657600 3.09262 102.749 -87.259 102.747 93.9845 -14.2817 -87.258 -14.2817 121.971 GPRESSURE: 657600 37.9691 56.3976 -86.5923 149.506 142.113 -21.5006 -70.0917 -51.6584 138.735 PRESSAVG: 657600 14.1923 0.645221 -53.137 0.645227 11.7161 -38.8562 -53.1369 -38.8562 -14.7375 GPRESSAVG: 657600 14.8441 1.26502 -52.9743 0.152234 12.4008 -39.0027 -54.585 -38.6113 -15.9065 TIMING: 657600 CPU: 1948.01, 0.00297627/step Wall: 1948.01, 0.00297627/step, 3.59004 hours remaining, 206.894531 MB of memory in use. ENERGY: 657600 728.7863 2043.6118 1915.4224 115.5638 -206313.5654 18085.1326 0.0000 0.0000 34397.1816 -149027.8669 300.3991 -183425.0485 -148935.1233 299.6224 73.0160 106.2724 558258.7985 3.7236 3.7795 PRESSURE: 657800 58.3807 128.404 -44.4511 128.405 -161.67 -164.747 -44.4497 -164.747 27.7567 GPRESSURE: 657800 146.828 147.331 -92.9059 54.139 -166.543 -86.8418 -36.4122 -180.033 35.2415 PRESSAVG: 657800 18.2473 -7.8175 -33.1423 -7.81752 -1.81292 -3.1096 -33.1422 -3.10968 -0.280674 GPRESSAVG: 657800 17.681 -9.22344 -33.5539 -10.0273 -1.80271 -4.05711 -33.9668 -2.0202 0.1527 TIMING: 657800 CPU: 1948.61, 0.00300521/step Wall: 1948.61, 0.00300521/step, 3.62478 hours remaining, 206.894531 MB of memory in use. ENERGY: 657800 777.6081 2128.0333 1967.7777 108.3542 -205862.8769 17744.5503 0.0000 0.0000 34150.9688 -148985.5845 298.2489 -183136.5533 -148894.5265 299.9052 -25.1774 5.1757 557583.2153 5.3846 5.3437 PRESSURE: 658000 -180.491 -12.7453 108.033 -12.7464 -132.766 2.45986 108.033 2.46038 118.598 GPRESSURE: 658000 -122.869 -31.3561 128.335 29.0259 -99.799 27.5027 130.893 -29.5419 119.621 PRESSAVG: 658000 36.0631 -15.269 -35.2277 -15.269 -32.5665 -40.7451 -35.2277 -40.7452 15.8999 GPRESSAVG: 658000 34.559 -15.2774 -34.8769 -13.9426 -30.9969 -38.5756 -34.4835 -41.6387 16.023 TIMING: 658000 CPU: 1949.21, 0.00298189/step Wall: 1949.21, 0.00298189/step, 3.59649 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: 658000 747.7085 2120.8840 1958.4685 108.9047 -205689.3743 17586.9925 0.0000 0.0000 34151.4112 -149015.0047 298.2528 -183166.4160 -148916.3060 299.6492 -64.8861 -34.3490 559542.9416 6.4655 6.5284 PRESSURE: 658200 105.996 32.4518 -88.2489 32.4517 80.6168 12.4164 -88.2489 12.4163 -158.924 GPRESSURE: 658200 147.465 -63.8151 -93.2139 73.1275 105.722 42.4999 -108.121 7.47142 -125.422 PRESSAVG: 658200 -9.96549 -40.2518 41.3072 -40.2518 41.817 13.8283 41.3073 13.8283 -9.5843 GPRESSAVG: 658200 -7.46737 -40.262 43.056 -38.6346 39.6551 12.9009 41.0552 15.7901 -9.49549 TIMING: 658200 CPU: 1949.8, 0.00297948/step Wall: 1949.8, 0.00297948/step, 3.59342 hours remaining, 206.894531 MB of memory in use. ENERGY: 658200 756.4564 2061.3240 1956.9254 122.2630 -205954.0775 17847.3042 0.0000 0.0000 34179.7593 -149030.0453 298.5003 -183209.8045 -148932.2189 299.7057 9.2295 42.5885 558067.1741 7.4224 7.5641 PRESSURE: 658400 52.6602 -120.705 139.384 -120.704 -1.4687 -218.779 139.385 -218.78 -34.497 GPRESSURE: 658400 87.9441 -178.522 156.033 -38.3192 11.4832 -170.847 164.098 -225.422 14.6607 PRESSAVG: 658400 32.3587 5.2349 32.5591 5.23492 19.3625 27.1903 32.5591 27.1902 -51.8718 GPRESSAVG: 658400 30.6583 4.36326 30.3112 4.2469 20.6867 26.403 35.0518 26.4274 -51.4617 TIMING: 658400 CPU: 1950.4, 0.00299235/step Wall: 1950.4, 0.00299235/step, 3.60877 hours remaining, 206.894531 MB of memory in use. ENERGY: 658400 762.9772 2112.4914 1955.3971 99.8431 -205861.9536 17764.8137 0.0000 0.0000 34293.5922 -148872.8389 299.4945 -183166.4311 -148776.2956 299.7399 5.5648 38.0293 558358.9261 -0.0502 -0.0389 PRESSURE: 658600 -159.778 46.3325 173.701 46.3316 -241.912 -51.5683 173.702 -51.5687 -6.80574 GPRESSURE: 658600 -89.9737 -6.67993 138.41 78.3476 -224.369 -166.481 175.548 31.4647 16.1913 PRESSAVG: 658600 -80.6426 46.7881 51.9057 46.7881 -1.15078 -78.6401 51.9058 -78.6402 47.5143 GPRESSAVG: 658600 -80.3763 47.8256 51.8045 46.9565 -1.13521 -75.1954 50.6618 -81.1697 47.2051 TIMING: 658600 CPU: 1951.01, 0.00302503/step Wall: 1951.01, 0.00302503/step, 3.64802 hours remaining, 206.894531 MB of memory in use. ENERGY: 658600 752.4438 2069.6593 1972.7418 112.2329 -205787.8134 17637.2860 0.0000 0.0000 34261.6346 -148981.8151 299.2154 -183243.4497 -148880.0850 299.6545 -136.1652 -99.3839 559064.7179 -11.4264 -11.4354 PRESSURE: 658800 -0.976852 21.2122 -42.0173 21.2126 -23.281 35.4864 -42.0167 35.4874 -434.063 GPRESSURE: 658800 32.1207 5.39453 -107.805 27.2226 -9.28108 -15.0374 -20.8091 29.3229 -384.835 PRESSAVG: 658800 -26.5104 43.3086 16.3904 43.3086 37.4527 -3.41923 16.3906 -3.41943 -29.1968 GPRESSAVG: 658800 -26.5447 44.7489 18.0445 43.0392 36.7844 -5.56041 14.5236 -2.5975 -28.5787 TIMING: 658800 CPU: 1951.6, 0.00298909/step Wall: 1951.6, 0.00298909/step, 3.60451 hours remaining, 206.894531 MB of memory in use. ENERGY: 658800 773.8101 2062.2507 1943.3396 100.6816 -206006.1239 17676.3176 0.0000 0.0000 34309.9164 -149139.8080 299.6370 -183449.7244 -149040.3245 300.0285 -152.7735 -120.6650 559037.4787 -6.0848 -6.1130 PRESSURE: 659000 -47.8415 -225.417 -52.4212 -225.416 -69.0009 26.3833 -52.4209 26.3827 -169.805 GPRESSURE: 659000 -6.23355 -272.83 -108.047 -173.91 -69.9762 114.904 -14.3446 -30.0231 -123.482 PRESSAVG: 659000 38.9647 35.7023 2.26583 35.7024 -5.11022 -10.0226 2.26587 -10.0228 -54.6414 GPRESSAVG: 659000 39.0941 35.7887 2.13379 34.0095 -5.10854 -9.0362 2.06416 -10.5994 -54.3408 TIMING: 659000 CPU: 1952.2, 0.00298844/step Wall: 1952.2, 0.00298844/step, 3.60356 hours remaining, 206.894531 MB of memory in use. ENERGY: 659000 783.1513 2119.6245 1942.6033 118.5260 -206206.3879 17644.1145 0.0000 0.0000 34421.4455 -149176.9228 300.6110 -183598.3683 -149083.1460 298.9076 -95.5490 -66.5638 557899.4139 -6.9290 -6.7851 PRESSURE: 659200 -162.836 -105.984 195.189 -105.985 125.289 62.5723 195.189 62.5707 -225.368 GPRESSURE: 659200 -70.9199 -89.5462 137.793 -64.5893 106.774 90.28 267.803 39.7781 -209.775 PRESSAVG: 659200 24.832 3.35983 39.1085 3.35977 18.6845 -33.0101 39.1084 -33.0101 -46.9693 GPRESSAVG: 659200 24.7724 3.2297 40.7666 3.76715 19.0625 -34.0575 39.2818 -31.7269 -47.4353 TIMING: 659200 CPU: 1952.79, 0.00295331/step Wall: 1952.79, 0.00295331/step, 3.56104 hours remaining, 206.894531 MB of memory in use. ENERGY: 659200 773.8464 2109.5441 1949.0792 105.7061 -206184.2247 17753.2363 0.0000 0.0000 34393.2359 -149099.5766 300.3647 -183492.8125 -149003.4593 299.4049 -87.6382 -57.9737 558321.6403 -1.1509 -1.2002 PRESSURE: 659400 245.596 51.377 -106.564 51.376 22.8708 117.819 -106.563 117.82 18.9383 GPRESSURE: 659400 231.588 -40.2066 -200.914 146.783 69.4686 94.035 -101.868 140.54 82.684 PRESSAVG: 659400 74.3129 -44.9943 8.83939 -44.9943 -51.0197 31.0481 8.83941 31.048 -54.1762 GPRESSAVG: 659400 75.3027 -47.1766 7.699 -43.7459 -51.1763 32.7293 10.2611 30.1073 -54.759 TIMING: 659400 CPU: 1953.39, 0.00299401/step Wall: 1953.39, 0.00299402/step, 3.60995 hours remaining, 206.894531 MB of memory in use. ENERGY: 659400 736.2163 2070.1350 1947.3704 126.6372 -206686.3984 18084.4404 0.0000 0.0000 34429.1735 -149292.4256 300.6785 -183721.5991 -149201.6601 299.1807 95.8016 127.9137 556184.9073 -10.2943 -10.2109 PRESSURE: 659600 -118.654 24.3507 252.957 24.351 -73.0797 157.702 252.957 157.701 -86.1459 GPRESSURE: 659600 -102.516 -35.9783 216.96 139.614 -77.4266 180.204 205.511 137.632 -7.09051 PRESSAVG: 659600 6.0569 32.5053 6.01029 32.5053 -38.262 -1.35821 6.01027 -1.35829 45.9549 GPRESSAVG: 659600 4.57517 33.284 6.79321 31.1074 -37.2648 -0.622101 6.16761 -1.60863 46.3107 TIMING: 659600 CPU: 1953.98, 0.0029621/step Wall: 1953.98, 0.0029621/step, 3.57131 hours remaining, 206.894531 MB of memory in use. ENERGY: 659600 723.7690 2080.8760 1952.6345 116.6625 -206279.3690 17600.6406 0.0000 0.0000 34324.3199 -149480.4666 299.7628 -183804.7864 -149380.3928 298.7160 -92.6266 -62.3443 557329.4014 4.5833 4.5403 PRESSURE: 659800 -51.098 174.037 166.408 174.038 -176.46 67.701 166.41 67.6999 -93.5632 GPRESSURE: 659800 -35.195 165.661 163.857 213.682 -144.071 35.5075 166.107 34.9493 -27.6475 PRESSAVG: 659800 46.0732 38.6953 68.8676 38.6951 -20.6835 -40.0655 68.8676 -40.0654 32.7188 GPRESSAVG: 659800 44.4563 39.7809 68.2993 37.4178 -20.2677 -42.6688 68.3676 -37.1954 33.5692 TIMING: 659800 CPU: 1954.58, 0.00297939/step Wall: 1954.58, 0.00297939/step, 3.59199 hours remaining, 206.894531 MB of memory in use. ENERGY: 659800 746.2349 2094.5348 1934.1558 115.5364 -206145.9950 17817.7723 0.0000 0.0000 33997.7005 -149440.0603 296.9104 -183437.7608 -149340.7373 298.1032 -107.0403 -68.9713 557577.4821 19.3695 19.2526 PRESSURE: 660000 232.686 -25.8155 17.3942 -25.8164 135.075 1.46542 17.3948 1.46694 -157.639 GPRESSURE: 660000 227.606 61.1189 -31.9001 -30.4583 196.827 -24.0714 -27.6028 11.7509 -116.594 PRESSAVG: 660000 -38.9287 39.8098 10.7482 39.8097 79.4415 -41.1947 10.7483 -41.1946 -70.8415 GPRESSAVG: 660000 -36.9818 39.2611 10.968 40.6422 78.2544 -41.108 11.543 -44.2369 -72.2251 TIMING: 660000 CPU: 1955.18, 0.00297997/step Wall: 1955.18, 0.00297997/step, 3.59252 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: 660000 732.6237 2099.7039 1963.7160 106.6357 -206317.9756 17826.6066 0.0000 0.0000 34146.9113 -149441.7784 298.2135 -183588.6897 -149344.5446 298.7258 70.0406 102.6131 557179.7944 -10.1096 -10.3175 PRESSURE: 660200 281.816 158.527 35.9966 158.526 117.807 41.4082 35.9958 41.413 -255.917 GPRESSURE: 660200 286.499 185.792 -39.5478 154.844 118.223 50.0691 35.4702 16.0448 -151.258 PRESSAVG: 660200 43.3622 -8.66832 -4.325 -8.66839 35.7929 74.0308 -4.32501 74.0309 -17.0218 GPRESSAVG: 660200 43.4968 -8.69609 -6.72336 -6.57427 34.7583 75.3649 -3.70307 73.9383 -16.1763 TIMING: 660200 CPU: 1955.77, 0.00297856/step Wall: 1955.77, 0.00297856/step, 3.59065 hours remaining, 206.894531 MB of memory in use. ENERGY: 660200 720.9686 2047.6112 1946.4416 119.8712 -206287.5074 17869.9075 0.0000 0.0000 34388.1065 -149194.6008 300.3199 -183582.7073 -149097.7337 298.9786 47.9019 84.4882 556623.7472 20.7111 20.6929 LDB: ============= START OF LOAD BALANCING ============== 1959.19 LDB: ============== END OF LOAD BALANCING =============== 1959.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1959.2 LDB: ============= START OF LOAD BALANCING ============== 1959.49 LDB: Largest compute 4820 load 0.031385 is 26.6% of average load 0.117869 LDB: Average compute 0.001732 is 1.5% of average load 0.117869 LDB: TIME 1959.49 LOAD: AVG 0.117869 MAX 0.194752 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.922 MB LDB: TIME 1959.49 LOAD: AVG 0.117869 MAX 0.194752 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: TIME 1959.49 LOAD: AVG 0.117869 MAX 0.194752 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1959.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1959.5 PRESSURE: 660400 -300.075 -62.863 -161.916 -62.8623 71.0786 -174.12 -161.918 -174.12 -119.206 GPRESSURE: 660400 -287.084 -25.6821 -161.507 -57.5717 105.787 -222.918 -77.4246 -123.455 -77.6987 PRESSAVG: 660400 63.9733 -19.2182 -7.01135 -19.2181 0.526685 -48.5908 -7.01134 -48.5908 -54.9635 GPRESSAVG: 660400 63.6547 -17.2856 -7.51985 -22.558 0.88525 -50.7396 -6.09883 -48.1606 -55.0056 TIMING: 660400 CPU: 1956.37, 0.00299734/step Wall: 1956.37, 0.00299734/step, 3.61313 hours remaining, 206.433594 MB of memory in use. ENERGY: 660400 760.4093 2103.7504 1941.1376 112.3311 -205920.3322 17686.3481 0.0000 0.0000 34224.1520 -149092.2037 298.8880 -183316.3557 -148993.2680 299.0780 -116.0671 -86.3320 558105.4119 3.1788 3.1781 PRESSURE: 660600 -14.529 28.8869 8.83382 28.8863 126.298 125.422 8.83255 125.42 142.59 GPRESSURE: 660600 81.7538 4.00572 11.1126 -1.16775 154.874 65.8374 89.5472 133.329 104.858 PRESSAVG: 660600 -35.0782 -39.6972 -9.68568 -39.6972 13.8704 28.2095 -9.68579 28.2096 26.2117 GPRESSAVG: 660600 -35.4796 -42.4149 -7.63334 -36.7432 15.2148 29.5362 -10.6323 28.0448 25.5309 TIMING: 660600 CPU: 1956.96, 0.00294976/step Wall: 1956.96, 0.00294976/step, 3.55561 hours remaining, 206.433594 MB of memory in use. ENERGY: 660600 736.3768 2075.6656 1970.2952 131.5234 -206169.2679 17880.2942 0.0000 0.0000 34369.0476 -149006.0650 300.1534 -183375.1126 -148906.6487 299.7970 84.7862 113.8287 557008.0175 1.6680 1.7554 PRESSURE: 660800 211.369 -31.7174 33.0615 -31.7164 -62.2163 -76.811 33.0613 -76.8093 -69.267 GPRESSURE: 660800 283.712 -20.602 2.58313 -51.9647 -94.1278 -103.74 98.2912 -98.575 -15.7317 PRESSAVG: 660800 -20.8137 -4.56617 -17.8409 -4.56616 53.8719 -5.17553 -17.8409 -5.17537 23.1768 GPRESSAVG: 660800 -20.3053 -3.51177 -18.5998 -6.29797 53.1462 -5.02114 -18.0533 -6.218 23.2051 TIMING: 660800 CPU: 1957.55, 0.00294814/step Wall: 1957.55, 0.00294814/step, 3.55349 hours remaining, 206.433594 MB of memory in use. ENERGY: 660800 752.5506 2124.6391 1929.0297 120.3992 -206052.9065 17807.7339 0.0000 0.0000 34309.8467 -149008.7072 299.6364 -183318.5539 -148912.5697 300.1912 26.6285 57.9510 557033.3512 18.7450 18.6820 PRESSURE: 661000 -74.7238 28.7332 -5.31148 28.734 -157.493 -57.4159 -5.31202 -57.4154 -101.481 GPRESSURE: 661000 -25.2996 85.4081 -38.3037 15.3962 -134.262 -32.8652 25.9535 -108.994 -72.1359 PRESSAVG: 661000 -60.7431 -17.9884 19.1005 -17.9885 42.5843 36.27 19.1005 36.27 -1.62844 GPRESSAVG: 661000 -60.1939 -18.9648 19.0897 -16.1582 42.6936 37.1303 19.3224 37.7459 -2.2027 TIMING: 661000 CPU: 1958.14, 0.00294415/step Wall: 1958.14, 0.00294415/step, 3.54852 hours remaining, 206.433594 MB of memory in use. ENERGY: 661000 738.7827 2146.2828 1941.6857 102.1684 -206192.8121 17808.5077 0.0000 0.0000 34451.3941 -149003.9908 300.8726 -183455.3850 -148914.9374 300.1261 -111.2325 -77.2324 558256.0949 -6.5957 -6.5677 PRESSURE: 661200 -147.165 52.5456 -45.3222 52.5458 12.8303 -146.818 -45.323 -146.818 -23.0863 GPRESSURE: 661200 -129.179 93.4492 -65.847 21.2807 63.5795 -55.2578 16.2672 -111.46 -12.3173 PRESSAVG: 661200 -106.393 46.3065 35.109 46.3066 80.9623 2.53072 35.109 2.53067 33.54 GPRESSAVG: 661200 -105.989 48.232 35.4097 44.6446 79.2068 0.508712 34.6299 1.78369 34.6529 TIMING: 661200 CPU: 1958.73, 0.00295879/step Wall: 1958.73, 0.00295879/step, 3.56601 hours remaining, 206.433594 MB of memory in use. ENERGY: 661200 790.6537 2103.9861 1934.9552 108.3909 -206235.7891 17847.7742 0.0000 0.0000 34461.1284 -148988.9007 300.9576 -183450.0290 -148891.0366 300.1586 -52.4737 -25.9723 556743.5998 2.7032 2.6236 PRESSURE: 661400 -160.952 -31.2627 -21.4216 -31.2618 -330.665 -64.7207 -21.4218 -64.7188 -51.9798 GPRESSURE: 661400 -121.189 -95.0614 -26.4316 50.4141 -293.926 -93.8255 -14.7576 -38.0203 -36.2428 PRESSAVG: 661400 34.5739 18.062 51.2459 18.062 19.5723 -6.04043 51.2458 -6.04041 7.6653 GPRESSAVG: 661400 33.7739 15.9119 50.3813 17.9873 20.0692 -6.5819 51.7956 -5.74419 7.64039 TIMING: 661400 CPU: 1959.32, 0.00295242/step Wall: 1959.32, 0.00295242/step, 3.55816 hours remaining, 206.433594 MB of memory in use. ENERGY: 661400 778.5560 2070.7882 1986.4829 110.3903 -205650.0169 17560.6729 0.0000 0.0000 34293.6718 -148849.4548 299.4952 -183143.1266 -148745.9929 300.8377 -181.1990 -150.4527 556992.8048 20.6038 20.4945 PRESSURE: 661600 -11.9699 -41.2849 85.4336 -41.285 58.8862 -47.6298 85.4336 -47.6302 -69.5764 GPRESSURE: 661600 -8.25462 -55.5097 62.3547 12.6693 190.505 -16.0444 101.876 38.0615 -106.58 PRESSAVG: 661600 -24.1877 16.6126 14.3903 16.6127 90.199 -31.326 14.3903 -31.3261 -42.5621 GPRESSAVG: 661600 -23.917 17.1706 15.0967 15.3249 91.1834 -29.1549 13.6905 -32.7759 -43.945 TIMING: 661600 CPU: 1959.91, 0.00295589/step Wall: 1959.91, 0.00295589/step, 3.56218 hours remaining, 206.433594 MB of memory in use. ENERGY: 661600 729.6664 2170.8990 1956.3170 112.2631 -206119.0162 17734.8630 0.0000 0.0000 34511.6695 -148903.3382 301.3990 -183415.0077 -148811.2725 300.5145 -7.5534 25.2237 558552.7611 7.8164 7.7738 PRESSURE: 661800 -42.8009 -14.6874 -61.342 -14.6866 -179.432 -107.392 -61.3422 -107.39 -49.6499 GPRESSURE: 661800 -61.1666 34.5721 -6.79124 -3.95282 -143.664 -87.9594 -31.8891 -141.23 26.197 PRESSAVG: 661800 17.7454 14.6329 27.8363 14.633 3.05254 40.1539 27.8365 40.154 -30.1822 GPRESSAVG: 661800 16.2641 14.4982 27.3196 17.2391 4.03804 37.9121 28.3432 43.1021 -29.9531 TIMING: 661800 CPU: 1960.5, 0.0029395/step Wall: 1960.5, 0.0029395/step, 3.54226 hours remaining, 206.433594 MB of memory in use. ENERGY: 661800 739.8181 2147.1678 1958.3370 104.9483 -205803.7119 17711.0902 0.0000 0.0000 34210.4167 -148931.9336 298.7681 -183142.3503 -148840.6689 299.6743 -90.6277 -59.5446 559477.6004 -3.1281 -3.2170 PRESSURE: 662000 -0.57323 -30.9467 -20.0141 -30.9466 -12.7529 81.8212 -20.0154 81.8225 -86.4521 GPRESSURE: 662000 5.51281 7.89516 -86.089 28.268 63.0946 52.1084 14.6897 58.1094 -66.8153 PRESSAVG: 662000 -31.8014 37.1723 -45.5407 37.1722 0.632997 -39.7436 -45.5406 -39.7435 43.2479 GPRESSAVG: 662000 -30.8965 40.5475 -47.3653 34.1943 0.472865 -38.0032 -44.3686 -40.6828 43.3421 TIMING: 662000 CPU: 1961.09, 0.00294559/step Wall: 1961.09, 0.00294559/step, 3.54944 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: 662000 756.2156 2111.7134 1941.5054 102.8373 -206088.4085 17792.5977 0.0000 0.0000 34442.1961 -148941.3431 300.7923 -183383.5391 -148842.4871 300.1253 -33.2594 0.5974 556461.8451 4.0265 4.3062 PRESSURE: 662200 -34.2639 -69.1472 -1.18466 -69.147 -54.2984 -188.045 -1.18562 -188.044 83.6988 GPRESSURE: 662200 -29.9008 12 113.501 -76.7867 -43.7234 -154.41 -25.0201 -175.594 157.273 PRESSAVG: 662200 -27.0135 -27.3246 -7.04643 -27.3247 -13.2856 -7.56085 -7.04633 -7.56093 86.7847 GPRESSAVG: 662200 -26.7775 -30.3193 -5.42604 -24.8896 -14.0071 -7.2089 -6.81505 -9.74273 87.325 TIMING: 662200 CPU: 1961.67, 0.00292252/step Wall: 1961.67, 0.00292252/step, 3.52148 hours remaining, 206.433594 MB of memory in use. ENERGY: 662200 730.7580 2118.1426 1970.6288 110.0321 -205501.1751 17530.1998 0.0000 0.0000 34106.5159 -148934.8980 297.8607 -183041.4140 -148839.8226 300.0170 -1.6212 27.8829 557520.9483 15.4952 15.5135 PRESSURE: 662400 -60.7659 12.0587 -88.2038 12.0591 -208.558 -89.5537 -88.2034 -89.5534 -101.413 GPRESSURE: 662400 -43.9475 33.0885 -27.4065 -36.2373 -156.047 -37.095 -178.983 -108.305 -81.8947 PRESSAVG: 662400 28.0268 -31.4678 -32.2091 -31.4678 -24.5777 -60.1536 -32.2091 -60.1536 -46.7143 GPRESSAVG: 662400 28.2569 -30.1479 -31.8982 -32.8061 -24.538 -61.6305 -32.1445 -58.2279 -47.1249 TIMING: 662400 CPU: 1962.27, 0.00295975/step Wall: 1962.27, 0.00295975/step, 3.56617 hours remaining, 206.433594 MB of memory in use. ENERGY: 662400 752.7235 2122.0108 1943.8959 111.7483 -205660.2497 17456.2976 0.0000 0.0000 34293.6950 -148979.8787 299.4954 -183273.5737 -148886.6581 299.5739 -123.5790 -93.9632 559050.0216 -14.4217 -14.4687 PRESSURE: 662600 50.796 -75.1018 -105.89 -75.101 265.053 -112.295 -105.891 -112.295 106.795 GPRESSURE: 662600 86.2165 -169.813 -33.518 -25.3452 240.693 -202.9 -228.972 -45.9205 187.775 PRESSAVG: 662600 -48.7964 9.29832 -19.0583 9.29845 66.6576 -63.1249 -19.0583 -63.1249 -28.408 GPRESSAVG: 662600 -49.4856 7.87082 -19.9027 10.7396 65.8034 -64.3261 -21.7257 -64.464 -26.3031 TIMING: 662600 CPU: 1962.87, 0.00300025/step Wall: 1962.87, 0.00300025/step, 3.6148 hours remaining, 206.433594 MB of memory in use. ENERGY: 662600 738.1799 2191.1725 1980.6277 117.2634 -206221.4204 18101.7962 0.0000 0.0000 34218.7045 -148873.6761 298.8405 -183092.3806 -148781.8517 300.1440 140.8816 171.5614 557450.3733 -3.5156 -3.3284 PRESSURE: 662800 8.826 -113.569 -74.6934 -113.57 9.97363 -8.33889 -74.6944 -8.34017 -205.21 GPRESSURE: 662800 47.1882 -91.2773 -43.8139 -92.4848 -8.07434 94.12 -51.4829 -63.6341 -133.766 PRESSAVG: 662800 -30.2352 -8.45657 -17.0971 -8.45655 25.3068 -2.54675 -17.0971 -2.54672 18.1574 GPRESSAVG: 662800 -28.9488 -7.90841 -14.7119 -7.97269 25.9638 -3.92087 -16.9542 0.377368 16.2238 TIMING: 662800 CPU: 1963.47, 0.00300017/step Wall: 1963.47, 0.00300017/step, 3.61454 hours remaining, 206.433594 MB of memory in use. ENERGY: 662800 748.2160 2058.6991 1976.5824 113.3409 -205724.0609 17793.5135 0.0000 0.0000 34259.1215 -148774.5875 299.1934 -183033.7091 -148674.8219 300.5349 -62.1367 -31.5508 559223.0472 4.4097 4.4129 PRESSURE: 663000 32.2533 -154.059 178.337 -154.058 266.47 -78.0297 178.339 -78.0303 -29.4176 GPRESSURE: 663000 16.9215 -107.252 153.921 -128.983 293.832 -81.7837 164.559 -60.5034 58.3039 PRESSAVG: 663000 -26.7353 -39.3951 -18.1126 -39.395 12.7471 -11.443 -18.1126 -11.443 -5.81136 GPRESSAVG: 663000 -26.922 -41.3169 -19.6221 -39.5745 12.1902 -10.9384 -17.2814 -12.084 -4.95965 TIMING: 663000 CPU: 1964.06, 0.00296548/step Wall: 1964.06, 0.00296548/step, 3.57258 hours remaining, 206.433594 MB of memory in use. ENERGY: 663000 736.9926 2071.3251 1994.2666 112.3764 -205840.4454 17827.5611 0.0000 0.0000 34261.0911 -148836.8323 299.2106 -183097.9234 -148749.9485 299.8916 89.7684 123.0190 557048.2359 -6.5999 -6.5638 PRESSURE: 663200 48.7945 77.2474 -52.0746 77.2486 198.044 -12.8782 -52.0737 -12.8761 149.461 GPRESSURE: 663200 94.7314 3.99675 -124.423 88.2131 218.686 3.27768 -54.4129 -62.2426 185.219 PRESSAVG: 663200 70.0365 -42.7383 -7.38575 -42.7383 19.9178 71.8115 -7.38586 71.8115 -78.3273 GPRESSAVG: 663200 70.3441 -39.0336 -8.13626 -44.9035 20.5535 74.0342 -6.68576 69.2849 -79.416 TIMING: 663200 CPU: 1964.65, 0.00296109/step Wall: 1964.65, 0.00296109/step, 3.56713 hours remaining, 206.433594 MB of memory in use. ENERGY: 663200 745.8269 2090.5709 1936.4629 118.1244 -206034.1010 17802.8505 0.0000 0.0000 34266.6554 -149073.6100 299.2592 -183340.2654 -148977.4371 299.8917 132.0997 166.2122 556180.9954 3.8757 3.8272 PRESSURE: 663400 31.4317 102.377 230.554 102.376 91.1095 -62.9405 230.554 -62.9394 -72.8739 GPRESSURE: 663400 13.3731 87.4914 278.586 127.209 107.101 -3.26698 118.053 -52.5983 6.59909 PRESSAVG: 663400 -58.5634 -57.0912 15.1639 -57.0911 43.1341 12.3392 15.1639 12.3393 0.790133 GPRESSAVG: 663400 -59.3239 -57.8386 15.8975 -57.5024 43.4136 11.9419 16.6486 11.6062 1.81132 TIMING: 663400 CPU: 1965.25, 0.00297563/step Wall: 1965.25, 0.00297563/step, 3.58448 hours remaining, 206.433594 MB of memory in use. ENERGY: 663400 704.9977 2090.1015 1959.3913 119.3392 -205690.3887 17632.5529 0.0000 0.0000 34229.1147 -148954.8914 298.9314 -183184.0061 -148858.0066 300.1012 16.5558 42.3577 556037.2227 -4.8797 -4.6997 PRESSURE: 663600 203.976 163.42 -133.975 163.419 -232.43 -78.9704 -133.974 -78.9712 -79.728 GPRESSURE: 663600 261.649 139.398 -130.504 134.892 -197.133 -134.139 -106.558 8.5581 -63.9383 PRESSAVG: 663600 109.979 19.7128 -20.5946 19.7129 -23.0379 -24.4928 -20.5945 -24.4928 -68.0877 GPRESSAVG: 663600 109.567 18.7254 -18.759 20.3143 -23.7466 -23.5609 -22.866 -25.206 -67.6709 TIMING: 663600 CPU: 1965.83, 0.00294083/step Wall: 1965.83, 0.00294083/step, 3.54239 hours remaining, 206.433594 MB of memory in use. ENERGY: 663600 763.1181 2058.1869 1964.8562 102.1767 -205905.7389 17590.6541 0.0000 0.0000 34484.7838 -148941.9631 301.1642 -183426.7469 -148851.9439 300.4522 -36.0609 0.1927 556890.2155 6.2846 6.0499 PRESSURE: 663800 98.4562 -28.0421 73.4116 -28.0416 177.594 277.483 73.4119 277.485 -93.9548 GPRESSURE: 663800 150.165 -1.0736 16.0332 -65.5532 195.502 231.067 66.9067 282.063 -67.9588 PRESSAVG: 663800 5.13376 61.1044 2.49448 61.1044 20.1191 36.095 2.49445 36.0952 8.78305 GPRESSAVG: 663800 5.351 61.9997 0.377668 61.2781 19.4075 35.0427 2.0164 36.1973 8.31897 TIMING: 663800 CPU: 1966.42, 0.00294735/step Wall: 1966.42, 0.00294735/step, 3.55008 hours remaining, 206.433594 MB of memory in use. ENERGY: 663800 761.3016 2072.1875 1962.5195 113.6595 -206311.5709 17792.6297 0.0000 0.0000 34401.3840 -149207.8891 300.4358 -183609.2731 -149112.8468 300.1284 60.6984 92.5694 556228.9023 11.3453 11.0258 PRESSURE: 664000 -128.366 25.0142 -57.4821 25.0142 -56.1458 27.5 -57.4843 27.4984 77.3171 GPRESSURE: 664000 -27.8201 55.9313 -137.507 39.1776 -2.59704 53.7058 -88.2529 34.4654 11.2357 PRESSAVG: 664000 -4.95671 -0.211859 6.78857 -0.211797 31.4331 30.6308 6.78853 30.6308 -7.60494 GPRESSAVG: 664000 -5.25914 -1.61424 7.26445 0.91148 31.8474 31.1401 9.8975 33.7558 -8.07499 TIMING: 664000 CPU: 1967.01, 0.00295571/step Wall: 1967.01, 0.00295571/step, 3.55999 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: 664000 758.6728 2107.5127 1929.3579 111.3377 -205943.3913 17536.4895 0.0000 0.0000 34099.9617 -149400.0589 297.8034 -183500.0205 -149303.1825 299.0412 -35.7316 -6.3938 557543.7075 6.2905 6.1711 PRESSURE: 664200 84.257 69.1542 -73.5661 69.154 -117.359 -30.5124 -73.5667 -30.5128 191.237 GPRESSURE: 664200 9.15508 169.834 -158.806 15.1964 -30.5066 -89.036 -84.6789 -6.27477 284.097 PRESSAVG: 664200 68.4193 4.51007 -44.8456 4.50994 -16.5836 19.839 -44.8456 19.8391 -10.7218 GPRESSAVG: 664200 67.5705 5.39715 -44.8095 3.9194 -16.6872 18.9434 -46.7482 20.1095 -10.06 TIMING: 664200 CPU: 1967.61, 0.00298755/step Wall: 1967.61, 0.00298755/step, 3.59818 hours remaining, 206.433594 MB of memory in use. ENERGY: 664200 779.6942 2083.3855 1984.0359 118.4723 -206760.2655 18000.6686 0.0000 0.0000 34249.0487 -149544.9604 299.1055 -183794.0091 -149448.2541 298.2211 52.7115 87.5818 556265.9571 13.7047 13.6077 LDB: ============= START OF LOAD BALANCING ============== 1971.04 LDB: ============== END OF LOAD BALANCING =============== 1971.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1971.04 LDB: ============= START OF LOAD BALANCING ============== 1971.34 LDB: Largest compute 4820 load 0.031379 is 26.6% of average load 0.117837 LDB: Average compute 0.001728 is 1.5% of average load 0.117837 LDB: TIME 1971.34 LOAD: AVG 0.117837 MAX 0.19722 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.691 MB LDB: TIME 1971.34 LOAD: AVG 0.117837 MAX 0.19722 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: TIME 1971.34 LOAD: AVG 0.117837 MAX 0.19722 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1971.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1971.35 PRESSURE: 664400 74.6452 124.426 -92.809 124.426 157.173 94.666 -92.8078 94.6674 75.4275 GPRESSURE: 664400 96.1464 202.569 -138.65 132.625 219.463 91.6312 -75.5677 168.757 99.7258 PRESSAVG: 664400 -70.1337 33.6031 -14.8326 33.603 8.51375 37.4037 -14.8326 37.4036 63.5209 GPRESSAVG: 664400 -70.2107 32.5752 -14.3372 36.1022 8.99256 35.8665 -15.3613 37.3782 62.7517 TIMING: 664400 CPU: 1968.22, 0.00302889/step Wall: 1968.22, 0.00302889/step, 3.64779 hours remaining, 206.492188 MB of memory in use. ENERGY: 664400 736.9406 2068.6196 1963.1729 126.5182 -206451.8945 18107.9585 0.0000 0.0000 33982.8352 -149465.8494 296.7806 -183448.6846 -149375.5198 298.3201 102.4154 138.4451 557595.5415 0.6337 0.5112 PRESSURE: 664600 226.709 -64.533 17.6623 -64.532 36.3428 -38.6517 17.6617 -38.6521 150.455 GPRESSURE: 664600 254.995 -53.9715 -44.8443 -130.316 56.1749 -58.3478 14.4667 -114.687 192.561 PRESSAVG: 664600 -71.0557 32.9339 -4.58522 32.9339 117.758 42.6584 -4.58523 42.6582 28.6091 GPRESSAVG: 664600 -71.1828 33.0341 -5.04509 30.3824 117.44 44.5448 -5.65172 40.3451 28.9751 TIMING: 664600 CPU: 1968.81, 0.00295664/step Wall: 1968.81, 0.00295664/step, 3.56062 hours remaining, 206.492188 MB of memory in use. ENERGY: 664600 747.3403 2099.5508 1978.2772 120.0592 -206614.8317 17989.2233 0.0000 0.0000 34153.6007 -149526.7801 298.2719 -183680.3809 -149426.0976 299.3410 137.8355 167.9104 556204.4403 25.1037 25.0774 PRESSURE: 664800 -163.119 174.511 2.30464 174.512 -212.371 -25.0614 2.30625 -25.0609 -285.894 GPRESSURE: 664800 -185.077 101.36 57.0903 134.133 -145.634 17.7228 35.4285 -38.9283 -235.551 PRESSAVG: 664800 -14.4801 -9.76002 -33.8803 -9.75999 -7.34445 74.0652 -33.8804 74.0653 24.4802 GPRESSAVG: 664800 -13.6144 -10.0902 -32.8906 -7.331 -7.71739 74.0107 -31.3685 74.2898 24.0295 TIMING: 664800 CPU: 1969.4, 0.00296174/step Wall: 1969.4, 0.00296174/step, 3.5666 hours remaining, 206.492188 MB of memory in use. ENERGY: 664800 812.2549 2117.0834 1952.7914 113.1373 -205968.3176 17433.6718 0.0000 0.0000 34224.0785 -149315.3003 298.8874 -183539.3788 -149223.1703 298.8290 -220.4611 -188.7541 557204.7273 0.8852 0.8992 PRESSURE: 665000 23.3586 25.7695 26.8667 25.7685 -428.105 13.3042 26.8656 13.3047 -381.099 GPRESSURE: 665000 35.1361 26.1597 38.0622 37.1233 -401.974 -101.156 8.83806 62.7307 -319.445 PRESSAVG: 665000 2.76794 10.3101 -49.5934 10.3101 -39.8035 28.8078 -49.5934 28.8078 31.902 GPRESSAVG: 665000 2.60193 8.83053 -50.8405 11.1478 -39.5814 28.72 -50.6775 29.0746 31.8839 TIMING: 665000 CPU: 1970, 0.00300835/step Wall: 1970, 0.00300835/step, 3.62256 hours remaining, 206.492188 MB of memory in use. ENERGY: 665000 739.2362 2082.2950 1969.3330 119.7319 -205908.6058 17474.2550 0.0000 0.0000 34219.5894 -149304.1653 298.8482 -183523.7546 -149207.2616 298.6332 -261.9486 -228.7609 559017.7102 -1.7112 -1.6985 PRESSURE: 665200 14.0073 -93.6978 -134.11 -93.6973 237.44 -170.542 -134.11 -170.541 326.204 GPRESSURE: 665200 34.8227 -131.421 -116.949 -119.845 266.436 -256.884 -175.494 -189.005 367.564 PRESSAVG: 665200 -31.6782 4.27565 -33.6564 4.27565 4.28763 -50.6687 -33.6564 -50.6687 1.18706 GPRESSAVG: 665200 -32.2305 6.57805 -31.8051 0.635503 5.88989 -50.0832 -32.2917 -50.2204 0.103203 TIMING: 665200 CPU: 1970.6, 0.00297493/step Wall: 1970.6, 0.00297493/step, 3.58214 hours remaining, 206.492188 MB of memory in use. ENERGY: 665200 793.1824 2034.4281 1943.5108 123.1428 -206732.3117 18246.1828 0.0000 0.0000 34321.0408 -149270.8239 299.7342 -183591.8647 -149175.3176 298.5125 192.5505 222.9408 556612.6498 -8.7345 -8.7458 PRESSURE: 665400 26.3826 30.7374 81.6763 30.7368 -75.6062 10.8244 81.675 10.8252 -332.448 GPRESSURE: 665400 90.5108 -79.3358 136.872 22.8386 -83.6273 53.7829 5.69321 -41.8843 -291.538 PRESSAVG: 665400 0.0271168 -34.4709 -18.1393 -34.4708 -4.44809 33.6708 -18.1393 33.6708 -10.276 GPRESSAVG: 665400 1.22798 -36.2907 -19.947 -31.7712 -6.04777 32.4733 -19.3195 32.6851 -9.95936 TIMING: 665400 CPU: 1971.19, 0.00296631/step Wall: 1971.19, 0.00296631/step, 3.5716 hours remaining, 206.492188 MB of memory in use. ENERGY: 665400 774.2972 2064.7837 1959.5138 126.9936 -206617.8659 17918.9699 0.0000 0.0000 34379.1298 -149394.1779 300.2415 -183773.3077 -149297.2214 299.3865 -127.2240 -94.8850 558023.4660 -4.8990 -4.9264 PRESSURE: 665600 139.843 149.885 107.766 149.885 179.56 171.541 107.766 171.538 265.891 GPRESSURE: 665600 206.461 46.46 92.1453 230.439 189.096 182.701 18.7562 150.73 280.505 PRESSAVG: 665600 15.5336 -21.2697 9.53127 -21.2697 48.4751 -23.8557 9.53134 -23.8557 -34.0677 GPRESSAVG: 665600 14.6813 -20.8036 11.1018 -22.5152 49.412 -20.5102 7.99291 -25.5505 -33.8731 TIMING: 665600 CPU: 1971.78, 0.00296059/step Wall: 1971.78, 0.00296059/step, 3.56455 hours remaining, 206.492188 MB of memory in use. ENERGY: 665600 706.6530 2081.6300 1967.9655 120.4433 -206676.8180 18107.8492 0.0000 0.0000 34270.7211 -149421.5560 299.2947 -183692.2771 -149319.1098 299.0213 195.0982 225.3543 556487.6604 9.9803 10.0734 PRESSURE: 665800 -409.651 24.9386 22.0924 24.9376 -129.62 -195.876 22.0922 -195.876 -167.296 GPRESSURE: 665800 -364.891 24.5024 9.41692 -38.6146 -62.7667 -128.755 102.846 -278.639 -176.551 PRESSAVG: 665800 16.1928 -17.6051 32.4768 -17.6051 10.4543 -59.9953 32.4768 -59.9953 -33.9455 GPRESSAVG: 665800 16.7275 -17.6239 31.6704 -17.4415 9.62162 -61.9997 34.9668 -56.8035 -33.3553 TIMING: 665800 CPU: 1972.37, 0.00294924/step Wall: 1972.37, 0.00294924/step, 3.55072 hours remaining, 206.492188 MB of memory in use. ENERGY: 665800 757.7520 2108.2435 1955.1061 112.7338 -205641.1109 17195.2601 0.0000 0.0000 34225.6221 -149286.3933 298.9009 -183512.0153 -149184.4278 298.7830 -235.5222 -201.4028 556501.7990 -2.4328 -2.3354 PRESSURE: 666000 -257.937 22.0829 228.908 22.082 188.077 -6.1545 228.906 -6.15624 -112.319 GPRESSURE: 666000 -243.63 -44.3173 191.273 66.4178 247.246 -0.307909 194.378 4.37829 -78.2709 PRESSAVG: 666000 45.2412 77.1635 -10.2135 77.1635 -6.43509 9.12393 -10.2135 9.12377 -48.1548 GPRESSAVG: 666000 44.0153 78.6617 -11.4386 75.5657 -4.8193 9.63435 -10.3183 9.06746 -48.6798 TIMING: 666000 CPU: 1972.97, 0.00297483/step Wall: 1972.97, 0.00297483/step, 3.58136 hours remaining, 206.492188 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: 666000 746.7050 2086.5979 1964.8611 125.4956 -206140.6429 17657.2091 0.0000 0.0000 34370.2474 -149189.5267 300.1639 -183559.7741 -149093.6123 299.4604 -60.7265 -24.8850 557000.8600 -3.1162 -3.1613 PRESSURE: 666200 28.3205 153.454 46.0902 153.455 -203.037 203.293 46.0905 203.293 -1.45714 GPRESSURE: 666200 48.4885 94.8828 102.351 130.458 -165.852 199.812 57.6889 248.945 24.8491 PRESSAVG: 666200 8.8431 -18.8882 -13.6996 -18.8882 23.5939 5.69911 -13.6996 5.69901 -33.2103 GPRESSAVG: 666200 9.49472 -20.4369 -12.0425 -17.0649 22.1711 3.37589 -14.2439 7.2788 -32.5102 TIMING: 666200 CPU: 1973.56, 0.0029707/step Wall: 1973.56, 0.0029707/step, 3.57622 hours remaining, 206.492188 MB of memory in use. ENERGY: 666200 804.6152 2065.3138 1966.5834 116.2617 -206132.6994 17729.9353 0.0000 0.0000 34206.8779 -149243.1121 298.7372 -183449.9900 -149147.9292 299.1568 -58.7245 -30.8381 557626.6580 -0.2578 -0.2815 PRESSURE: 666400 41.4934 83.8846 -125.126 83.884 37.3216 -59.841 -125.126 -59.8402 -291.779 GPRESSURE: 666400 54.3111 109.584 -162.186 79.502 25.2104 -54.7232 -110.865 -86.8976 -204.159 PRESSAVG: 666400 69.7846 22.022 0.535406 22.022 -36.1721 -30.7811 0.535467 -30.781 -70.1904 GPRESSAVG: 666400 69.8178 22.6447 1.36744 21.3662 -36.2718 -30.6527 -0.12806 -31.5099 -70.3035 TIMING: 666400 CPU: 1974.16, 0.00297482/step Wall: 1974.16, 0.00297482/step, 3.58102 hours remaining, 206.492188 MB of memory in use. ENERGY: 666400 741.7922 2071.2996 1983.0015 116.9046 -206281.5185 17722.1879 0.0000 0.0000 34341.7853 -149304.5474 299.9154 -183646.3327 -149202.0460 298.8963 -70.9879 -41.5458 557308.2632 -12.1926 -12.2525 PRESSURE: 666600 209.546 -175.362 -16.204 -175.362 90.0707 -60.8191 -16.2037 -60.8174 232.117 GPRESSURE: 666600 256.894 -189.292 -69.253 -122.885 140.491 -79.7626 -7.89787 -10.9554 233.971 PRESSAVG: 666600 -10.8228 -11.687 -62.1224 -11.687 10.7336 2.68369 -62.1223 2.68376 2.87776 GPRESSAVG: 666600 -11.7426 -11.1041 -62.9063 -11.6452 11.3385 1.98191 -61.798 1.67156 3.06612 TIMING: 666600 CPU: 1974.75, 0.00297636/step Wall: 1974.75, 0.00297635/step, 3.5827 hours remaining, 206.492188 MB of memory in use. ENERGY: 666600 754.4213 2056.7668 1931.5799 112.9516 -206729.1043 18203.7873 0.0000 0.0000 34467.0526 -149202.5448 301.0093 -183669.5974 -149109.5122 299.2031 177.2447 210.4520 557080.1319 0.9295 0.8873 PRESSURE: 666800 200.765 -1.4978 -14.8609 -1.49809 42.9394 153.524 -14.8618 153.523 -271.606 GPRESSURE: 666800 172.274 -108.155 30.4051 79.8512 133.46 92.3616 -31.8913 195.624 -255.667 PRESSAVG: 666800 -41.794 -5.89036 -18.0497 -5.89032 36.1694 -7.3169 -18.0497 -7.31687 8.49461 GPRESSAVG: 666800 -40.9981 -4.79845 -17.5955 -5.10467 35.5697 -6.82016 -18.2008 -6.87137 7.8944 TIMING: 666800 CPU: 1975.35, 0.00296735/step Wall: 1975.35, 0.00296735/step, 3.5717 hours remaining, 206.492188 MB of memory in use. ENERGY: 666800 773.5993 2178.1833 1932.7157 109.3149 -206461.7281 18019.2504 0.0000 0.0000 34155.4779 -149293.1865 298.2883 -183448.6644 -149196.3578 299.2813 -9.3007 16.6889 558188.6401 0.9567 0.8220 PRESSURE: 667000 -321.705 -142.219 -45.0949 -142.219 30.3616 114.805 -45.0952 114.803 26.5354 GPRESSURE: 667000 -250.254 -146.076 15.8723 -10.3649 83.2386 122.296 -95.2813 102.332 -10.1302 PRESSAVG: 667000 -3.18162 33.1007 7.82525 33.1008 27.2153 -0.371283 7.82531 -0.371304 15.041 GPRESSAVG: 667000 -3.33104 28.9153 7.71044 34.5863 27.2197 1.6613 9.06676 -0.698042 15.3017 TIMING: 667000 CPU: 1975.94, 0.00296582/step Wall: 1975.94, 0.00296582/step, 3.5697 hours remaining, 206.492188 MB of memory in use. ENERGY: 667000 731.3862 2070.3912 1952.3491 115.6695 -205889.3648 17617.7566 0.0000 0.0000 34329.1752 -149072.6370 299.8052 -183401.8122 -148975.5198 299.1603 -88.2692 -59.0484 557352.9454 13.0249 13.0635 PRESSURE: 667200 122.766 158.45 59.3779 158.45 -14.2944 -154.315 59.3784 -154.314 126.986 GPRESSURE: 667200 127.978 171.833 36.7775 130.463 63.4678 -189.334 103.975 -151.706 137.92 PRESSAVG: 667200 -20.0627 -26.2895 0.608375 -26.2895 4.87558 18.1695 0.608371 18.1695 18.2181 GPRESSAVG: 667200 -20.1535 -22.9038 2.32911 -29.0445 5.2964 16.4568 -1.62895 17.8912 18.2216 TIMING: 667200 CPU: 1976.53, 0.0029605/step Wall: 1976.53, 0.0029605/step, 3.56312 hours remaining, 206.492188 MB of memory in use. ENERGY: 667200 743.8930 2076.2200 1960.7273 107.9205 -206061.0239 17926.2871 0.0000 0.0000 34230.2943 -149015.6816 298.9417 -183245.9760 -148924.1391 298.8138 78.4859 109.7886 559251.6218 1.0103 1.1215 PRESSURE: 667400 -227.535 -24.5937 -121.563 -24.5951 -180.683 -142.859 -121.563 -142.859 -83.726 GPRESSURE: 667400 -214.661 -7.88959 -102.937 -32.9592 -150.716 -119.315 -102.235 -133.329 -37.002 PRESSAVG: 667400 11.2376 21.0802 -53.9311 21.0802 -14.1579 56.3371 -53.9312 56.3372 -18.6938 GPRESSAVG: 667400 11.8576 22.0144 -54.1442 21.0264 -15.8054 58.7089 -51.1609 55.5661 -17.2632 TIMING: 667400 CPU: 1977.12, 0.00294533/step Wall: 1977.12, 0.00294533/step, 3.5447 hours remaining, 206.492188 MB of memory in use. ENERGY: 667400 809.6147 2083.4597 1945.8172 114.0851 -206018.5556 17695.2733 0.0000 0.0000 34451.7717 -148918.5339 300.8759 -183370.3056 -148832.6000 299.6473 -163.9815 -134.1263 559171.6816 -7.2047 -7.0704 PRESSURE: 667600 127.962 156.57 133.52 156.57 -77.8439 186.164 133.52 186.165 13.224 GPRESSURE: 667600 156.719 213.821 87.223 101.05 -54.7936 227.182 210.251 112.155 51.9439 PRESSAVG: 667600 -50.2558 -16.787 -16.5182 -16.7871 -1.8392 -32.3135 -16.5182 -32.3135 25.7622 GPRESSAVG: 667600 -49.2749 -19.3142 -17.7546 -17.3909 -1.06585 -33.3085 -17.6893 -32.3522 24.2137 TIMING: 667600 CPU: 1977.71, 0.00295592/step Wall: 1977.71, 0.00295592/step, 3.55729 hours remaining, 206.492188 MB of memory in use. ENERGY: 667600 739.7117 2087.4437 1941.1095 116.5664 -205909.3976 17909.1814 0.0000 0.0000 34277.1207 -148838.2642 299.3506 -183115.3849 -148743.2351 300.3837 21.1139 51.2896 560187.2394 -8.7776 -8.7090 PRESSURE: 667800 20.2114 -25.4065 28.3868 -25.4068 -324.126 190.71 28.3869 190.711 -276.421 GPRESSURE: 667800 11.33 28.6984 -21.4324 -13.5749 -239.858 245.907 -21.774 74.4662 -271.296 PRESSAVG: 667800 -19.8577 93.4211 15.2922 93.4212 86.869 -17.4813 15.2924 -17.4812 -16.8895 GPRESSAVG: 667800 -21.6881 94.7928 15.8008 93.301 89.0024 -18.3041 14.7343 -17.3925 -16.5958 TIMING: 667800 CPU: 1978.31, 0.00296641/step Wall: 1978.31, 0.00296641/step, 3.56974 hours remaining, 206.492188 MB of memory in use. ENERGY: 667800 761.6538 2076.8930 1965.1614 105.8658 -205551.0039 17521.8270 0.0000 0.0000 34437.9028 -148681.7001 300.7548 -183119.6029 -148576.9287 300.6442 -193.4454 -166.6082 558675.8447 16.7073 16.9062 PRESSURE: 668000 -42.3054 -127.276 16.1214 -127.276 56.7166 110.139 16.1213 110.138 -77.7684 GPRESSURE: 668000 6.59066 -97.0688 24.4086 -152.029 68.6231 161.691 40.3329 106.588 -45.0792 PRESSAVG: 668000 67.3515 24.7793 -51.2971 24.7793 -9.62538 20.9928 -51.297 20.9927 -37.326 GPRESSAVG: 668000 67.6948 24.2181 -53.1858 25.9478 -10.6655 22.6236 -49.0263 20.3026 -37.0007 TIMING: 668000 CPU: 1978.9, 0.00297507/step Wall: 1978.9, 0.00297507/step, 3.58 hours remaining, 206.492188 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: 668000 737.9960 2093.3599 1945.7561 104.9782 -205449.3413 17594.2692 0.0000 0.0000 34280.5892 -148692.3928 299.3809 -182972.9820 -148594.3903 300.5865 -21.1191 10.0448 558393.1114 6.8001 6.6762 PRESSURE: 668200 -132.898 -57.9179 -54.5115 -57.9171 -126.192 -37.1419 -54.5112 -37.1411 294.751 GPRESSURE: 668200 -59.2645 16.3654 -39.4301 -177.142 -110.372 -54.633 -91.5036 16.758 302.105 PRESSAVG: 668200 -60.358 -8.76612 -19.9908 -8.76628 -15.6886 -20.9155 -19.9907 -20.9155 35.3331 GPRESSAVG: 668200 -60.0391 -6.28447 -17.4521 -10.2572 -16.2506 -23.2636 -21.8241 -18.5321 35.3309 TIMING: 668200 CPU: 1979.49, 0.00297151/step Wall: 1979.49, 0.00297151/step, 3.57555 hours remaining, 206.492188 MB of memory in use. ENERGY: 668200 758.0546 2114.8452 1969.9193 104.5151 -205836.6576 17771.0184 0.0000 0.0000 34321.7361 -148796.5690 299.7403 -183118.3051 -148702.3685 300.0629 11.8870 44.1563 558110.0421 -13.5712 -13.6530 LDB: ============= START OF LOAD BALANCING ============== 1982.92 LDB: ============== END OF LOAD BALANCING =============== 1982.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1982.92 LDB: ============= START OF LOAD BALANCING ============== 1983.22 LDB: Largest compute 4820 load 0.032642 is 27.7% of average load 0.117864 LDB: Average compute 0.001733 is 1.5% of average load 0.117864 LDB: TIME 1983.22 LOAD: AVG 0.117864 MAX 0.196789 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.41 MB LDB: TIME 1983.22 LOAD: AVG 0.117864 MAX 0.196789 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.41 MB LDB: TIME 1983.22 LOAD: AVG 0.117864 MAX 0.196789 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.41 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1983.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1983.23 PRESSURE: 668400 132.364 -11.6304 82.9391 -11.6297 27.9507 212.937 82.9385 212.938 119.488 GPRESSURE: 668400 122.478 74.6253 57.5858 -34.3749 78.0118 203.536 43.1017 231.768 188.821 PRESSAVG: 668400 3.34993 -27.2078 -8.12903 -27.2078 -16.4695 -39.2292 -8.12908 -39.2291 33.0429 GPRESSAVG: 668400 2.44983 -30.5106 -10.0659 -25.7707 -16.1111 -38.6275 -6.17169 -40.1671 33.4852 TIMING: 668400 CPU: 1980.1, 0.0030139/step Wall: 1980.1, 0.0030139/step, 3.62639 hours remaining, 206.953125 MB of memory in use. ENERGY: 668400 760.9658 2131.9605 1963.7242 113.7392 -206388.0682 18199.5002 0.0000 0.0000 34361.2528 -148856.9254 300.0854 -183218.1782 -148757.7491 299.7310 93.2678 129.7700 558249.9687 6.6411 6.6080 PRESSURE: 668600 162.237 56.5971 153.804 56.5976 -61.251 3.96286 153.804 3.96244 236.699 GPRESSURE: 668600 205.898 105.488 91.0786 -18.4401 -28.7571 -9.94558 159.257 5.53646 263.019 PRESSAVG: 668600 -25.6422 -28.0351 30.4351 -28.0351 -13.2624 -2.20307 30.4351 -2.20314 47.1802 GPRESSAVG: 668600 -25.3964 -28.5209 30.2024 -27.9082 -14.3356 -2.37297 29.4279 -2.81506 47.2948 TIMING: 668600 CPU: 1980.69, 0.00295848/step Wall: 1980.69, 0.00295848/step, 3.55955 hours remaining, 206.953125 MB of memory in use. ENERGY: 668600 706.5101 2093.2704 1965.0356 119.2582 -206319.6116 18044.4203 0.0000 0.0000 34465.2158 -148925.9013 300.9933 -183391.1171 -148819.8485 299.8234 112.5617 146.7197 558302.6637 2.7585 2.5210 PRESSURE: 668800 -52.2402 -92.198 -17.515 -92.1997 -60.2805 100.425 -17.5146 100.424 -285.938 GPRESSURE: 668800 -9.90186 -111.24 6.34206 -94.0359 -24.9075 74.6162 -1.02652 140.067 -274.012 PRESSAVG: 668800 58.2687 3.20555 45.4859 3.20541 -13.6059 19.7148 45.486 19.7149 -14.0688 GPRESSAVG: 668800 58.0098 3.44204 47.1704 4.62557 -12.8031 20.5522 45.3501 20.7186 -14.2785 TIMING: 668800 CPU: 1981.28, 0.00295824/step Wall: 1981.28, 0.00295824/step, 3.55909 hours remaining, 206.953125 MB of memory in use. ENERGY: 668800 756.1553 2151.1871 1946.1985 104.6441 -205790.1762 17497.4601 0.0000 0.0000 34196.9612 -149137.5699 298.6506 -183334.5311 -149037.3200 299.5425 -132.8197 -102.9404 557719.6110 10.1980 10.3094 PRESSURE: 669000 -112.145 46.7685 91.7355 46.7677 78.5675 -86.1175 91.7361 -86.1186 83.6161 GPRESSURE: 669000 -31.6112 56.7446 97.4412 46.7397 116.016 -65.8665 94.1857 -188.884 63.9445 PRESSAVG: 669000 11.333 33.3703 47.545 33.3704 -28.0896 17.2015 47.5449 17.2016 28.0293 GPRESSAVG: 669000 11.8981 34.8527 48.0442 30.3698 -28.73 14.6336 47.1898 16.3731 28.0154 TIMING: 669000 CPU: 1981.88, 0.0029752/step Wall: 1981.88, 0.0029752/step, 3.57934 hours remaining, 206.953125 MB of memory in use. ENERGY: 669000 777.7784 2119.4861 1949.2707 109.8236 -205742.0646 17770.7879 0.0000 0.0000 33978.1690 -149036.7488 296.7398 -183014.9178 -148937.7880 298.9627 16.6794 49.4496 556805.5009 3.7576 3.7278 PRESSURE: 669200 44.5007 29.8632 -1.80832 29.8632 104.355 -266.033 -1.80688 -266.035 261.691 GPRESSURE: 669200 132.494 -1.81816 121.508 41.9205 108.91 -144.69 -90.3482 -205.786 266.359 PRESSAVG: 669200 25.971 11.3506 33.9476 11.3505 -86.365 40.9329 33.9476 40.9328 74.3644 GPRESSAVG: 669200 26.624 9.60467 32.8529 12.8097 -86.5576 43.561 34.1304 39.1521 73.7076 TIMING: 669200 CPU: 1982.47, 0.00297708/step Wall: 1982.47, 0.00297708/step, 3.58143 hours remaining, 206.953125 MB of memory in use. ENERGY: 669200 754.7734 2060.3508 1973.0297 118.1680 -206235.0260 18037.7563 0.0000 0.0000 34467.6749 -148823.2729 301.0148 -183290.9478 -148730.8922 299.1591 136.8488 169.2545 557541.8776 4.6568 4.5914 PRESSURE: 669400 -45.9072 59.4568 56.7274 59.457 -163.199 -109.568 56.7281 -109.569 110.968 GPRESSURE: 669400 4.50276 -4.41138 -71.7943 131.644 -169.926 -113.272 160.264 -176.09 166.402 PRESSAVG: 669400 32.7858 -28.6598 -4.28196 -28.6598 -49.3833 35.9342 -4.28195 35.9343 18.6205 GPRESSAVG: 669400 30.9203 -26.0473 -5.40596 -30.6687 -49.0566 33.9664 -4.58461 37.508 20.118 TIMING: 669400 CPU: 1983.07, 0.00297058/step Wall: 1983.07, 0.00297058/step, 3.57344 hours remaining, 206.953125 MB of memory in use. ENERGY: 669400 756.0028 2096.2990 1967.2394 113.2167 -205918.3508 17743.0675 0.0000 0.0000 34406.9171 -148835.6083 300.4842 -183242.5254 -148745.4520 299.8488 -32.7126 0.3262 558487.6064 0.6743 0.6606 PRESSURE: 669600 5.55006 126.779 61.7331 126.778 -206.947 167.407 61.7333 167.405 289.445 GPRESSURE: 669600 54.6715 160.791 -0.502454 97.0746 -205.551 185.72 -78.4536 194.953 340.497 PRESSAVG: 669600 -9.22666 27.8043 -43.4908 27.8043 -52.7536 16.9205 -43.4908 16.9206 50.2808 GPRESSAVG: 669600 -9.03561 26.6729 -41.3789 30.0852 -52.4767 17.5001 -44.3736 17.7571 49.5283 TIMING: 669600 CPU: 1983.66, 0.00296533/step Wall: 1983.66, 0.00296533/step, 3.56697 hours remaining, 206.953125 MB of memory in use. ENERGY: 669600 755.7791 2064.8606 1962.4022 104.6807 -206061.1353 17853.9092 0.0000 0.0000 34367.6036 -148951.8997 300.1408 -183319.5034 -148865.5037 300.3344 29.3494 63.2055 557289.7592 -3.8998 -3.9947 PRESSURE: 669800 330.042 -87.1316 86.6201 -87.131 105.199 -81.2274 86.6201 -81.2279 -231.586 GPRESSURE: 669800 344.584 -84.0591 -55.8527 -120.904 173.117 -96.2269 107.198 8.65202 -218.564 PRESSAVG: 669800 8.28946 -15.619 -51.1054 -15.6189 5.04717 2.29031 -51.1053 2.2903 -6.86976 GPRESSAVG: 669800 8.96711 -15.1089 -52.6367 -17.4416 5.37491 1.67306 -50.0747 -0.836135 -7.86292 TIMING: 669800 CPU: 1984.25, 0.00294004/step Wall: 1984.25, 0.00294004/step, 3.53638 hours remaining, 206.953125 MB of memory in use. ENERGY: 669800 772.4595 2107.1571 1960.0612 111.0075 -206364.9597 18047.2538 0.0000 0.0000 34235.1502 -149131.8704 298.9841 -183367.0206 -149041.1996 299.1990 67.8849 99.7122 558059.3468 2.1556 2.1597 PRESSURE: 670000 -355.5 -120.127 44.7326 -120.127 54.5705 -19.8786 44.7336 -19.8777 -45.9266 GPRESSURE: 670000 -277.416 -82.4491 77.4098 -118.348 45.758 49.4992 -19.5542 -141.067 -14.4685 PRESSAVG: 670000 -12.6141 -35.8658 6.63229 -35.8658 72.9809 -10.5753 6.63231 -10.5753 -43.1754 GPRESSAVG: 670000 -11.8494 -38.8981 7.55893 -33.2524 72.3517 -9.47443 5.85247 -9.72515 -42.9646 TIMING: 670000 CPU: 1984.83, 0.00293529/step Wall: 1984.83, 0.00293529/step, 3.5305 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: 670000 748.2449 2121.2747 1934.4908 106.8338 -206019.2741 17718.4443 0.0000 0.0000 34344.9317 -149045.0538 299.9428 -183389.9855 -148951.7858 298.9197 -115.6187 -82.0422 558176.0795 5.7304 5.8459 PRESSURE: 670200 -47.2713 -135.52 -165.453 -135.521 46.3719 -29.2567 -165.453 -29.2577 -149.139 GPRESSURE: 670200 -69.9598 -190.87 -139.89 -189.148 122.937 -24.3791 -202.631 -55.9163 -114.66 PRESSAVG: 670200 -48.1099 -46.8812 -32.8751 -46.8813 46.6937 -43.1424 -32.8753 -43.1425 8.92986 GPRESSAVG: 670200 -48.8936 -46.8077 -31.4968 -47.2468 47.1969 -43.3727 -35.1472 -43.9891 9.5355 TIMING: 670200 CPU: 1985.42, 0.00295439/step Wall: 1985.42, 0.00295439/step, 3.55331 hours remaining, 206.953125 MB of memory in use. ENERGY: 670200 751.4393 2031.9420 1980.7874 104.6226 -205705.2483 17771.4975 0.0000 0.0000 34141.6283 -148923.3312 298.1673 -183064.9595 -148832.8449 299.3922 -50.0127 -20.5611 558044.4718 2.5046 2.6129 PRESSURE: 670400 400.898 -28.7542 -186.044 -28.7542 110.216 55.8812 -186.044 55.8825 65.3679 GPRESSURE: 670400 394.156 3.54029 -160.837 -7.03391 175.708 77.0324 -228.453 -5.92983 93.6807 PRESSAVG: 670400 -8.67863 -22.1823 -49.9791 -22.1822 -21.2568 -47.1361 -49.9791 -47.1361 -17.4234 GPRESSAVG: 670400 -8.39485 -21.7624 -51.5539 -22.4405 -21.5261 -47.2707 -49.2185 -46.627 -17.2957 TIMING: 670400 CPU: 1986.02, 0.00297061/step Wall: 1986.02, 0.00297061/step, 3.57265 hours remaining, 206.953125 MB of memory in use. ENERGY: 670400 760.5535 2012.8384 1940.1840 115.2733 -206259.2597 18155.7865 0.0000 0.0000 34287.4314 -148987.1927 299.4407 -183274.6241 -148894.2299 299.4988 192.1607 221.1814 557577.8779 -15.7863 -15.7389 PRESSURE: 670600 58.2374 -36.4295 -9.37384 -36.4301 -161.096 1.39871 -9.37465 1.40099 -99.9262 GPRESSURE: 670600 39.8157 -42.0033 -29.0471 -47.8871 -112.531 51.3516 12.1389 -76.1427 -25.0984 PRESSAVG: 670600 -12.3532 2.02379 -66.0312 2.02382 21.1875 10.3709 -66.0312 10.3709 -4.7269 GPRESSAVG: 670600 -12.1654 2.67722 -65.9303 0.0709129 20.9945 8.89329 -64.0531 12.5139 -5.02257 TIMING: 670600 CPU: 1986.61, 0.00297336/step Wall: 1986.61, 0.00297336/step, 3.57579 hours remaining, 206.953125 MB of memory in use. ENERGY: 670600 757.2513 2100.6220 1962.0928 107.2069 -206034.8330 17723.9778 0.0000 0.0000 34364.7506 -149018.9317 300.1159 -183383.6822 -148918.8464 299.7718 -67.5950 -32.6045 558172.3279 1.3691 1.2689 PRESSURE: 670800 12.8719 -8.32117 10.5704 -8.32056 2.47835 -23.5723 10.5723 -23.5717 39.8329 GPRESSURE: 670800 47.1779 -41.8651 9.68108 -88.4897 41.5603 59.7028 30.9604 -2.36418 57.6576 PRESSAVG: 670800 39.417 1.33894 -14.3501 1.33899 -68.8005 61.9015 -14.3502 61.9015 11.049 GPRESSAVG: 670800 38.3078 3.12165 -14.2107 0.886857 -68.1738 63.518 -12.5016 59.6139 11.508 TIMING: 670800 CPU: 1987.21, 0.00296864/step Wall: 1987.21, 0.00296864/step, 3.56995 hours remaining, 206.953125 MB of memory in use. ENERGY: 670800 779.5493 2084.1610 1931.3939 109.0623 -206032.2960 17916.7023 0.0000 0.0000 34256.5402 -148954.8870 299.1709 -183211.4272 -148862.9893 299.4901 18.3944 48.7986 558241.4516 -6.1115 -6.1193 PRESSURE: 671000 -235.415 36.7665 97.9551 36.7653 -234.828 -147.423 97.9554 -147.425 -154.054 GPRESSURE: 671000 -221.735 56.5336 109.439 67.4128 -279.366 -189.405 8.12475 -195.604 -39.6294 PRESSAVG: 671000 59.9212 30.0256 12.8335 30.0257 -13.7821 16.9754 12.8336 16.9753 -25.7203 GPRESSAVG: 671000 60.7498 29.0597 11.5371 32.2251 -14.5619 16.0529 11.6675 16.8502 -25.7515 TIMING: 671000 CPU: 1987.8, 0.00296265/step Wall: 1987.8, 0.00296265/step, 3.56259 hours remaining, 206.953125 MB of memory in use. ENERGY: 671000 752.5613 2089.7541 1935.2896 120.2679 -205500.6555 17449.6911 0.0000 0.0000 34219.9237 -148933.1678 298.8511 -183153.0915 -148841.4544 299.6483 -208.0989 -180.2435 558873.6938 6.8063 6.8121 PRESSURE: 671200 -95.1496 80.8257 -4.50566 80.8251 -73.5775 -62.6909 -4.50727 -62.6913 91.9195 GPRESSURE: 671200 -35.2474 174.358 33.9284 49.7492 -73.3039 31.1578 -0.894363 -170.158 126.726 PRESSAVG: 671200 25.3219 73.1355 -1.29239 73.1355 -8.91013 6.97243 -1.29239 6.97246 1.71959 GPRESSAVG: 671200 24.9609 74.0295 0.296665 72.4327 -7.45765 7.77684 -1.92537 7.72352 1.25588 TIMING: 671200 CPU: 1988.39, 0.00297601/step Wall: 1988.39, 0.00297601/step, 3.57849 hours remaining, 206.953125 MB of memory in use. ENERGY: 671200 773.5188 2064.5862 1944.0953 105.9570 -205675.3963 17727.6713 0.0000 0.0000 34014.1625 -149045.4051 297.0541 -183059.5677 -148952.8953 299.2002 -25.6025 6.0582 555973.9606 6.0438 6.2530 PRESSURE: 671400 108.639 -39.5744 -112.205 -39.5745 -108.188 -129.405 -112.206 -129.406 35.7421 GPRESSURE: 671400 118.435 20.191 -18.8055 -72.4084 -88.3041 -205.869 -168.373 -93.449 86.4431 PRESSAVG: 671400 17.8177 83.2199 13.3942 83.2199 8.5949 -6.42106 13.3943 -6.42105 19.4512 GPRESSAVG: 671400 18.7361 81.7753 11.9345 82.2059 8.05792 -6.36842 14.9531 -6.86252 19.3708 TIMING: 671400 CPU: 1988.99, 0.00297602/step Wall: 1988.99, 0.00297602/step, 3.57834 hours remaining, 206.953125 MB of memory in use. ENERGY: 671400 764.6547 2066.4067 1956.9944 121.0829 -206052.4041 17733.7692 0.0000 0.0000 34256.1428 -149153.3534 299.1674 -183409.4962 -149057.8720 299.6680 12.0642 38.8579 556126.5033 15.2879 15.3883 PRESSURE: 671600 254.86 -187.505 -89.111 -187.506 218.184 31.3108 -89.111 31.311 -47.5921 GPRESSURE: 671600 272.43 -234.864 -84.2692 -253.32 278.38 89.2196 -174.202 25.4426 -29.9654 PRESSAVG: 671600 13.9786 -42.3089 -38.1117 -42.309 -18.2963 37.133 -38.1117 37.1331 7.06041 GPRESSAVG: 671600 13.0549 -43.1246 -36.8314 -40.5429 -17.7892 36.7163 -40.2898 36.8155 7.75874 TIMING: 671600 CPU: 1989.58, 0.00297004/step Wall: 1989.58, 0.00297004/step, 3.57098 hours remaining, 206.953125 MB of memory in use. ENERGY: 671600 746.7895 2063.0985 1955.2781 125.2184 -206333.1997 18012.3663 0.0000 0.0000 34312.6482 -149117.8007 299.6609 -183430.4489 -149019.7051 300.1202 141.8172 173.6150 557082.3577 0.9142 1.0082 PRESSURE: 671800 -216.096 -151.094 -104.035 -151.095 -150.378 -35.3857 -104.034 -35.3864 -33.2277 GPRESSURE: 671800 -218.761 -179.596 -157.764 -152.412 -96.5656 38.2251 -70.928 -95.493 27.4189 PRESSAVG: 671800 -46.8197 -67.8537 -31.2221 -67.8537 5.24844 7.38437 -31.2222 7.38449 31.8497 GPRESSAVG: 671800 -46.0375 -67.6926 -34.0726 -67.0295 4.05819 6.13405 -29.1009 10.2465 32.5046 TIMING: 671800 CPU: 1990.18, 0.00297103/step Wall: 1990.18, 0.00297103/step, 3.57201 hours remaining, 206.953125 MB of memory in use. ENERGY: 671800 748.0053 2083.0459 1968.3065 114.5415 -205837.8945 17592.1980 0.0000 0.0000 34274.1028 -149057.6945 299.3243 -183331.7973 -148960.9504 300.1305 -133.2337 -95.9691 557647.0852 -3.2405 -3.1582 PRESSURE: 672000 -108.799 -35.4201 63.4922 -35.4213 111.958 -13.2489 63.4919 -13.2478 382.352 GPRESSURE: 672000 -35.7097 -91.8825 49.1513 26.988 145.052 -17.0352 5.5322 -32.7344 377.524 PRESSAVG: 672000 -12.0202 1.77028 -29.272 1.77033 -3.19156 1.93306 -29.2721 1.93313 28.4673 GPRESSAVG: 672000 -12.1638 1.83686 -28.8691 0.79569 -2.42796 3.4995 -29.6084 -0.228728 28.0008 TIMING: 672000 CPU: 1990.77, 0.00297762/step Wall: 1990.77, 0.00297762/step, 3.57976 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: 672000 727.1787 2099.6176 1949.9070 101.4488 -206310.8767 18010.6147 0.0000 0.0000 34336.1326 -149085.9773 299.8660 -183422.1099 -148984.7096 299.2102 128.5039 162.2886 558395.0426 4.4185 4.4697 PRESSURE: 672200 -88.6491 131.136 50.7385 131.135 -40.8458 -99.464 50.7385 -99.4627 -177.509 GPRESSURE: 672200 -87.2522 49.6792 77.7472 141.898 -42.8987 -29.9197 20.1224 -26.3176 -84.9599 PRESSAVG: 672200 -22.482 -1.14975 23.5693 -1.14977 37.5762 -23.3016 23.5694 -23.3015 3.44017 GPRESSAVG: 672200 -21.5677 -2.36837 24.8936 -0.617151 35.6844 -23.2174 24.1597 -25.8093 4.52239 TIMING: 672200 CPU: 1991.37, 0.00297612/step Wall: 1991.37, 0.00297612/step, 3.5778 hours remaining, 206.953125 MB of memory in use. ENERGY: 672200 774.3394 2054.5039 1942.4476 112.2403 -206276.6573 17806.5549 0.0000 0.0000 34544.6010 -149041.9702 301.6866 -183586.5711 -148946.6916 300.0604 -102.3347 -71.7036 558271.8870 6.1781 6.2130 LDB: ============= START OF LOAD BALANCING ============== 1994.79 LDB: ============== END OF LOAD BALANCING =============== 1994.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1994.8 LDB: ============= START OF LOAD BALANCING ============== 1995.1 LDB: Largest compute 4820 load 0.032027 is 27.2% of average load 0.117826 LDB: Average compute 0.001724 is 1.5% of average load 0.117826 LDB: TIME 1995.1 LOAD: AVG 0.117826 MAX 0.196984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.922 MB LDB: TIME 1995.1 LOAD: AVG 0.117826 MAX 0.196984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: TIME 1995.1 LOAD: AVG 0.117826 MAX 0.196984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 1995.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 1995.1 PRESSURE: 672400 -24.2063 106.525 -105.005 106.525 -88.1134 65.1461 -105.005 65.1459 24.79 GPRESSURE: 672400 30.71 109.045 -126.398 150.603 -86.3104 68.3656 -106.837 31.3951 62.695 PRESSAVG: 672400 42.4418 37.6441 19.8416 37.6441 -51.7146 -1.91189 19.8416 -1.91187 65.7458 GPRESSAVG: 672400 42.4513 39.3051 20.0782 37.4522 -50.4062 -2.70513 18.7064 -0.476427 64.6657 TIMING: 672400 CPU: 1991.98, 0.00303286/step Wall: 1991.98, 0.00303286/step, 3.64583 hours remaining, 205.410156 MB of memory in use. ENERGY: 672400 750.1076 2064.7360 1989.2445 112.7323 -205926.4205 17729.4155 0.0000 0.0000 34216.8410 -149063.3437 298.8242 -183280.1847 -148972.9786 299.5165 -29.1766 2.3649 557475.8057 18.8244 18.9036 PRESSURE: 672600 142.517 41.1888 -64.7681 41.1892 88.099 72.2121 -64.7674 72.2105 -218.783 GPRESSURE: 672600 133.41 78.9338 -41.0093 -7.28254 159.208 7.51475 -117.18 105.555 -188.956 PRESSAVG: 672600 -23.4658 7.39327 -16.5245 7.39323 10.8504 -12.1682 -16.5244 -12.1681 2.08996 GPRESSAVG: 672600 -24.0181 6.57627 -16.8283 6.45738 10.9374 -13.8009 -15.9734 -11.43 2.24622 TIMING: 672600 CPU: 1992.57, 0.00299003/step Wall: 1992.57, 0.00299003/step, 3.59418 hours remaining, 205.410156 MB of memory in use. ENERGY: 672600 774.5863 2082.8846 1965.3697 109.9803 -205847.9012 17867.8996 0.0000 0.0000 34162.3208 -148884.8599 298.3480 -183047.1807 -148791.2285 300.2152 3.9443 34.5540 558994.9534 -3.5085 -3.6115 PRESSURE: 672800 429.552 -77.8305 91.3897 -77.8293 -107.054 -11.2797 91.3898 -11.2799 143.614 GPRESSURE: 672800 451.067 -76.6647 117.75 -70.9119 -45.5903 -8.60518 91.2777 -33.1961 162.126 PRESSAVG: 672800 52.4631 6.81552 48.0916 6.81555 -1.64944 22.9638 48.0918 22.9637 -30.454 GPRESSAVG: 672800 52.2093 6.35056 48.6728 7.12198 -1.33986 24.7749 48.3286 22.5687 -30.4842 TIMING: 672800 CPU: 1993.17, 0.00298456/step Wall: 1993.17, 0.00298456/step, 3.58744 hours remaining, 205.410156 MB of memory in use. ENERGY: 672800 720.7485 2084.3308 1965.4144 113.5127 -205959.2265 17817.3789 0.0000 0.0000 34359.9897 -148897.8515 300.0743 -183257.8412 -148798.8816 299.6678 155.3706 189.2009 557862.4157 6.7865 6.7951 PRESSURE: 673000 -239.593 27.9631 -116.893 27.9626 -285.772 67.6265 -116.894 67.6256 -175.444 GPRESSURE: 673000 -190.323 -38.4921 -132.426 87.7796 -194.035 13.0647 -111.566 83.6396 -222.237 PRESSAVG: 673000 9.06018 25.012 8.9581 25.012 -20.4431 10.7366 8.95809 10.7365 -26.6649 GPRESSAVG: 673000 10.0728 24.4412 9.63149 23.8295 -19.4209 11.4124 8.64081 10.4744 -27.9263 TIMING: 673000 CPU: 1993.76, 0.00296632/step Wall: 1993.76, 0.00296632/step, 3.56535 hours remaining, 205.410156 MB of memory in use. ENERGY: 673000 768.9083 2083.1310 1964.4610 110.7962 -205529.4524 17496.9181 0.0000 0.0000 34278.8777 -148826.3601 299.3660 -183105.2378 -148727.5365 300.9145 -233.6031 -202.1984 559722.9039 -12.6826 -12.4248 PRESSURE: 673200 14.7948 75.647 -81.0846 75.6462 -53.8057 86.2476 -81.0845 86.2496 203.232 GPRESSURE: 673200 12.3637 108.899 -13.145 49.0044 -26.7442 77.5719 -116.72 163.738 276.15 PRESSAVG: 673200 16.1689 -11.2019 5.10068 -11.202 1.73462 46.0632 5.10074 46.0632 -75.2255 GPRESSAVG: 673200 16.4056 -10.4661 4.97524 -10.8539 1.1502 43.1511 4.44058 46.4785 -74.4675 TIMING: 673200 CPU: 1994.36, 0.00299127/step Wall: 1994.36, 0.00299127/step, 3.59517 hours remaining, 205.410156 MB of memory in use. ENERGY: 673200 731.7483 2165.8145 1956.6372 106.0226 -206134.2202 17837.4759 0.0000 0.0000 34534.0468 -148802.4750 301.5944 -183336.5218 -148708.1152 300.3916 54.7403 87.2564 558420.9552 -19.1073 -18.9706 PRESSURE: 673400 -151.947 53.0192 -4.18835 53.0198 -138.514 49.5305 -4.18843 49.5321 -157.004 GPRESSURE: 673400 -124.09 30.9197 -26.7468 48.0418 -97.4979 54.8829 23.5925 95.3384 -136.5 PRESSAVG: 673400 4.16677 -54.961 57.5373 -54.9611 6.85342 -4.45962 57.5374 -4.45968 5.53635 GPRESSAVG: 673400 3.96102 -55.8566 57.7542 -53.5792 7.22978 -1.32697 57.7731 -8.09072 4.89206 TIMING: 673400 CPU: 1994.96, 0.00297074/step Wall: 1994.96, 0.00297074/step, 3.57034 hours remaining, 205.410156 MB of memory in use. ENERGY: 673400 747.9482 2049.9138 1980.9290 101.8760 -206005.3892 17763.9429 0.0000 0.0000 34580.6253 -148780.1540 302.0012 -183360.7793 -148682.2148 300.6491 -149.1550 -119.3629 557845.1667 5.5188 5.3610 PRESSURE: 673600 32.5652 267.04 -20.0722 267.041 123.588 37.4087 -20.0729 37.4091 153.571 GPRESSURE: 673600 19.0069 310.254 61.596 111.448 168.378 60.3955 -149.7 66.2342 222.241 PRESSAVG: 673600 11.8018 26.6859 -26.8257 26.6859 -26.6749 -36.6845 -26.8257 -36.6845 35.5391 GPRESSAVG: 673600 11.4323 29.71 -27.153 25.9635 -27.6343 -39.1098 -27.2824 -33.4754 37.3447 TIMING: 673600 CPU: 1995.55, 0.00298373/step Wall: 1995.55, 0.00298373/step, 3.58578 hours remaining, 205.410156 MB of memory in use. ENERGY: 673600 743.2395 2081.3578 1949.5928 113.7373 -206114.7736 17969.1128 0.0000 0.0000 34538.7051 -148719.0284 301.6351 -183257.7335 -148612.1687 300.7114 103.2413 136.5418 558226.8272 6.8887 7.0476 PRESSURE: 673800 180.393 61.1749 165.683 61.175 13.3507 -9.51076 165.685 -9.5114 -32.1354 GPRESSURE: 673800 202.292 32.9094 162.935 121.221 8.8917 -3.76187 131.302 -50.568 41.9232 PRESSAVG: 673800 20.1976 9.28741 47.1678 9.28746 -29.0193 -47.4408 47.1679 -47.4408 -6.78132 GPRESSAVG: 673800 20.4559 9.40931 47.0245 8.41196 -28.8852 -44.9428 47.8771 -48.5222 -6.49642 TIMING: 673800 CPU: 1996.15, 0.00297427/step Wall: 1996.15, 0.00297427/step, 3.57424 hours remaining, 205.410156 MB of memory in use. ENERGY: 673800 734.9136 2115.2002 1989.3744 113.9070 -206161.4669 17970.2197 0.0000 0.0000 34584.0498 -148653.8022 302.0311 -183237.8520 -148562.1454 300.4532 53.8693 84.3690 558237.3820 -5.2010 -4.9752 PRESSURE: 674000 -34.2546 -7.42854 -132.418 -7.43015 -50.246 18.6343 -132.42 18.6337 -15.0382 GPRESSURE: 674000 20.9902 4.38258 -50.2277 18.6966 -56.0977 53.3009 -134.858 4.73392 22.4566 PRESSAVG: 674000 39.693 -51.6358 -48.0062 -51.6358 -3.39735 -14.1936 -48.0062 -14.1935 -9.23495 GPRESSAVG: 674000 39.8595 -53.2439 -46.3899 -50.6584 -3.24997 -15.1931 -49.2923 -12.679 -10.0919 TIMING: 674000 CPU: 1996.74, 0.00297142/step Wall: 1996.74, 0.00297142/step, 3.57066 hours remaining, 205.410156 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: 674000 773.1005 2024.9014 1946.2116 115.0868 -205835.4218 17708.1976 0.0000 0.0000 34439.2436 -148828.6802 300.7665 -183267.9239 -148733.6423 300.2107 -33.1796 -4.2169 558660.1755 9.0202 8.8392 PRESSURE: 674200 -192.773 120.511 -60.1921 120.51 -109.998 -122.581 -60.1915 -122.582 -349.685 GPRESSURE: 674200 -199.545 138.47 -44.58 70.0508 -74.4086 -49.1676 -48.1413 -183.74 -293.186 PRESSAVG: 674200 56.3697 3.32334 -56.5906 3.3233 -68.4248 -18.4847 -56.5906 -18.4847 -9.47281 GPRESSAVG: 674200 56.4029 4.5682 -58.2183 4.09779 -68.4436 -17.7488 -54.8215 -21.0242 -9.34047 TIMING: 674200 CPU: 1997.34, 0.00300292/step Wall: 1997.34, 0.00300292/step, 3.60834 hours remaining, 205.410156 MB of memory in use. ENERGY: 674200 775.5079 2095.4637 1981.9106 117.2956 -205937.7853 17638.1079 0.0000 0.0000 34457.7655 -148871.7341 300.9282 -183329.4996 -148774.3571 300.4470 -217.4853 -189.0467 557468.3565 -7.1760 -7.1270 PRESSURE: 674400 -50.5611 2.90035 -49.5786 2.90024 -289.637 22.436 -49.5787 22.4362 -282.216 GPRESSURE: 674400 1.30346 -36.9794 -70.0945 5.15543 -297.877 -7.38507 -49.7143 46.7632 -225.482 PRESSAVG: 674400 -19.3169 25.6794 -58.3013 25.6793 83.6655 -27.6802 -58.3013 -27.6802 -71.7237 GPRESSAVG: 674400 -18.7375 25.3652 -59.0729 24.5832 83.3506 -29.3808 -58.6809 -25.1492 -72.1427 TIMING: 674400 CPU: 1997.94, 0.00299298/step Wall: 1997.94, 0.00299298/step, 3.59624 hours remaining, 205.410156 MB of memory in use. ENERGY: 674400 776.5137 2081.5504 1943.0903 122.4724 -205711.3854 17413.7792 0.0000 0.0000 34305.9419 -149068.0375 299.6023 -183373.9794 -148972.1670 300.3347 -207.4715 -174.0185 556252.8708 -2.4584 -2.5099 PRESSURE: 674600 -181.05 -114.471 -93.6045 -114.47 -45.2072 153.912 -93.6046 153.913 -198.353 GPRESSURE: 674600 -184.909 -16.6787 -149.276 -95.6718 0.284578 81.9402 76.0727 216.816 -130.173 PRESSAVG: 674600 -39.467 13.6443 7.62453 13.6442 12.5943 -11.1361 7.62459 -11.1361 -11.9848 GPRESSAVG: 674600 -40.2706 13.9354 7.81068 14.0566 12.3005 -9.39042 8.56912 -12.3758 -10.1806 TIMING: 674600 CPU: 1998.53, 0.00297028/step Wall: 1998.53, 0.00297028/step, 3.56879 hours remaining, 205.410156 MB of memory in use. ENERGY: 674600 752.9513 2057.3733 1957.9729 99.4272 -205901.2305 17654.5306 0.0000 0.0000 34230.2764 -149148.6988 298.9415 -183378.9752 -149051.3422 299.2728 -141.5368 -104.9325 556614.3015 -12.9525 -12.7169 PRESSURE: 674800 -289.433 99.1251 -6.67485 99.125 -201.212 108.919 -6.6751 108.919 120.256 GPRESSURE: 674800 -218.875 44.798 -64.3408 91.8139 -184.513 49.6919 18.4401 119.75 137.374 PRESSAVG: 674800 -39.2855 41.1596 9.62758 41.1597 18.5811 63.7246 9.62754 63.7247 18.8475 GPRESSAVG: 674800 -39.1756 42.1848 7.13519 40.2486 18.4205 64.0705 9.63329 63.354 18.9688 TIMING: 674800 CPU: 1999.13, 0.00297319/step Wall: 1999.13, 0.00297319/step, 3.57213 hours remaining, 205.410156 MB of memory in use. ENERGY: 674800 741.5573 2051.9835 1943.0841 107.1415 -205806.6180 17587.9590 0.0000 0.0000 34269.4991 -149105.3935 299.2841 -183374.8926 -149013.3362 300.1700 -123.4631 -88.6712 556621.6922 -0.6190 -0.5955 PRESSURE: 675000 93.6771 7.30483 15.2475 7.30556 -181.255 175.856 15.2485 175.858 -65.5395 GPRESSURE: 675000 107.991 -81.3063 13.8301 6.2771 -178.499 51.4659 48.6099 243.448 9.17318 PRESSAVG: 675000 33.978 36.4218 -14.3006 36.4218 -128.613 -1.47119 -14.3005 -1.47101 61.8336 GPRESSAVG: 675000 34.8748 35.6736 -10.1072 36.0616 -128.505 -1.14027 -14.7321 0.101785 60.2681 TIMING: 675000 CPU: 1999.72, 0.00295578/step Wall: 1999.72, 0.00295579/step, 3.55105 hours remaining, 205.410156 MB of memory in use. ENERGY: 675000 740.7146 2103.4085 1971.8050 113.2228 -206136.4036 17662.0353 0.0000 0.0000 34568.6067 -148976.6108 301.8962 -183545.2175 -148885.2510 299.9978 -51.0390 -20.4451 556176.8662 -10.9339 -11.1206 PRESSURE: 675200 -335.373 -30.2712 -110.75 -30.2712 -102.078 -109.282 -110.751 -109.281 70.9499 GPRESSURE: 675200 -319.305 -66.8812 -129.822 -65.2015 -11.3234 -32.7291 -73.373 -162.326 61.3632 PRESSAVG: 675200 53.1473 19.2251 -52.3266 19.2251 -31.7969 -7.73222 -52.3266 -7.73228 -22.2137 GPRESSAVG: 675200 51.8776 18.6124 -52.0753 20.1115 -31.9434 -8.93085 -53.2156 -9.85022 -20.5668 TIMING: 675200 CPU: 2000.31, 0.00297053/step Wall: 2000.31, 0.00297053/step, 3.56859 hours remaining, 205.410156 MB of memory in use. ENERGY: 675200 737.9275 2157.8712 1974.3316 119.0363 -205687.0412 17388.1338 0.0000 0.0000 34389.2870 -148920.4538 300.3302 -183309.7408 -148829.4594 299.8501 -122.1672 -89.7551 555667.4332 -0.2878 -0.2109 PRESSURE: 675400 -148.709 -82.1477 127.075 -82.147 -404.029 17.3187 127.075 17.3174 80.6896 GPRESSURE: 675400 -71.1833 -67.4041 77.8536 -73.1566 -353.772 101.582 73.3174 -20.7686 51.8785 PRESSAVG: 675400 45.0277 51.5563 23.7806 51.5563 -114.352 -36.4699 23.7805 -36.47 61.7265 GPRESSAVG: 675400 45.437 52.5161 21.5752 53.9166 -113.001 -36.0067 24.0195 -33.195 59.8587 TIMING: 675400 CPU: 2000.91, 0.00295337/step Wall: 2000.91, 0.00295337/step, 3.54782 hours remaining, 205.410156 MB of memory in use. ENERGY: 675400 720.6481 2088.7265 1965.4094 98.2134 -205519.1120 17292.3641 0.0000 0.0000 34460.8527 -148892.8979 300.9552 -183353.7506 -148791.7390 300.6734 -157.3493 -124.3588 556808.4018 -2.5326 -2.5684 PRESSURE: 675600 -108.217 20.134 -61.5208 20.1357 -206.341 -42.2081 -61.5194 -42.2079 -147.81 GPRESSURE: 675600 -101.413 -28.908 -32.587 58.8837 -194.744 9.10223 -44.4036 -56.2723 -73.0033 PRESSAVG: 675600 -28.2208 15.1656 -79.9923 15.1656 -51.5977 29.4136 -79.9923 29.4136 34.1625 GPRESSAVG: 675600 -28.1813 13.2891 -79.0988 13.9097 -51.8715 30.6708 -79.2389 28.6978 34.5019 TIMING: 675600 CPU: 2001.5, 0.00298856/step Wall: 2001.5, 0.00298856/step, 3.58992 hours remaining, 205.410156 MB of memory in use. ENERGY: 675600 783.1850 2137.1587 1927.7522 124.0595 -205783.5604 17552.7084 0.0000 0.0000 34431.8696 -148826.8270 300.7021 -183258.6966 -148728.7584 300.3706 -154.1227 -123.0536 558982.3127 -15.2187 -15.1836 PRESSURE: 675800 -251.679 -23.5241 17.2151 -23.525 -500.765 136.174 17.214 136.172 -191.338 GPRESSURE: 675800 -237.053 -17.1678 23.7577 -56.1018 -486.836 65.5619 22.8478 175.272 -139.503 PRESSAVG: 675800 29.8784 52.7146 13.9397 52.7146 -5.58781 58.3825 13.9397 58.3824 -63.8934 GPRESSAVG: 675800 30.1112 54.8333 13.6291 52.3605 -5.87081 55.9074 13.4565 58.363 -64.0279 TIMING: 675800 CPU: 2002.1, 0.00297078/step Wall: 2002.1, 0.00297078/step, 3.5684 hours remaining, 205.410156 MB of memory in use. ENERGY: 675800 808.4501 2116.5357 1935.7426 109.4342 -205456.6113 17244.8037 0.0000 0.0000 34355.7433 -148885.9016 300.0373 -183241.6449 -148789.6926 300.1042 -314.5941 -287.7973 558226.8833 -13.2009 -13.2625 PRESSURE: 676000 34.7095 -138.731 85.8891 -138.734 36.6422 26.6042 85.8897 26.6043 165.247 GPRESSURE: 676000 55.6993 -128.401 40.4593 -149.293 35.1934 -28.164 35.1456 -4.73417 234.08 PRESSAVG: 676000 -6.8682 -40.0262 -49.9838 -40.0262 7.51605 55.9032 -49.9838 55.9031 5.3321 GPRESSAVG: 676000 -7.43117 -40.3373 -49.4186 -40.7018 8.12575 57.5825 -49.7186 54.8147 5.50695 TIMING: 676000 CPU: 2002.69, 0.0029558/step Wall: 2002.69, 0.0029558/step, 3.55024 hours remaining, 205.410156 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: 676000 734.7336 2099.1940 1946.6507 124.9113 -205969.1803 17734.9850 0.0000 0.0000 34362.4754 -148966.2303 300.0960 -183328.7057 -148872.4207 300.3161 78.8662 108.3243 556615.6924 1.9933 2.0672 PRESSURE: 676200 30.6242 218.404 15.284 218.405 50.1745 22.4001 15.2832 22.4 -14.412 GPRESSURE: 676200 91.4917 276.534 47.2052 265.822 53.9829 -57.0297 -19.4051 -29.6638 8.49142 PRESSAVG: 676200 -5.09955 15.0231 -27.9833 15.023 35.2116 -13.2472 -27.9832 -13.2473 -0.663682 GPRESSAVG: 676200 -5.53677 13.1712 -26.1283 15.6467 33.7931 -11.1354 -28.4344 -14.5008 1.05016 TIMING: 676200 CPU: 2003.28, 0.00296885/step Wall: 2003.28, 0.00296885/step, 3.56576 hours remaining, 205.410156 MB of memory in use. ENERGY: 676200 757.5131 2101.6106 1920.5047 103.6610 -205976.7118 17691.5211 0.0000 0.0000 34376.4176 -149025.4837 300.2178 -183401.9013 -148931.8708 299.9596 22.1289 51.3220 557876.1914 9.8161 9.7688 LDB: ============= START OF LOAD BALANCING ============== 2006.71 LDB: ============== END OF LOAD BALANCING =============== 2006.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2006.71 LDB: ============= START OF LOAD BALANCING ============== 2007.01 LDB: Largest compute 4820 load 0.032926 is 27.9% of average load 0.117828 LDB: Average compute 0.001735 is 1.5% of average load 0.117828 LDB: TIME 2007.02 LOAD: AVG 0.117828 MAX 0.19554 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.434 MB LDB: TIME 2007.02 LOAD: AVG 0.117828 MAX 0.19554 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.434 MB LDB: TIME 2007.02 LOAD: AVG 0.117828 MAX 0.19554 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2007.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2007.02 PRESSURE: 676400 81.2422 68.314 -58.8749 68.3147 150.483 11.7461 -58.8749 11.7447 -109.968 GPRESSURE: 676400 40.568 74.7285 -116.986 25.5451 184.268 -13.8288 -71.1127 1.01209 -16.0169 PRESSAVG: 676400 15.4491 2.37238 -47.4209 2.37233 15.2496 47.0619 -47.4209 47.0618 3.81939 GPRESSAVG: 676400 16.0308 4.80286 -48.2789 2.18976 16.1159 46.9101 -47.4495 47.2833 2.6139 TIMING: 676400 CPU: 2003.89, 0.00305811/step Wall: 2003.89, 0.00305811/step, 3.67279 hours remaining, 205.425781 MB of memory in use. ENERGY: 676400 731.2621 2091.3569 1989.1055 116.2917 -206295.2074 17928.7814 0.0000 0.0000 34299.1857 -149139.2241 299.5433 -183438.4098 -149036.5302 299.9988 40.5856 69.6063 557040.1515 11.5060 11.5869 PRESSURE: 676600 24.2818 98.1434 -64.209 98.1439 43.8224 148.676 -64.2076 148.676 -122.645 GPRESSURE: 676600 22.8031 75.212 -36.6233 36.4609 77.6737 224.402 -75.7444 124.706 -54.6488 PRESSAVG: 676600 -10.2278 58.1799 -38.0589 58.1799 40.7558 31.6461 -38.059 31.6461 -37.5112 GPRESSAVG: 676600 -10.4424 55.4055 -38.2934 59.5147 40.8703 31.4817 -39.0053 31.9148 -37.5073 TIMING: 676600 CPU: 2004.49, 0.00297533/step Wall: 2004.49, 0.00297533/step, 3.5732 hours remaining, 205.425781 MB of memory in use. ENERGY: 676600 775.8379 2091.4378 1927.0265 119.5299 -206039.7556 17863.7739 0.0000 0.0000 34275.6938 -148986.4558 299.3382 -183262.1496 -148889.5398 299.9182 -18.1802 15.2760 557444.7879 -2.3277 -2.3598 PRESSURE: 676800 73.6007 -108.997 -52.8084 -108.998 169.975 -106.639 -52.8089 -106.64 6.78665 GPRESSURE: 676800 107.596 -67.2022 -66.1895 -74.7428 155.625 -118.852 -143.844 -188.202 67.4654 PRESSAVG: 676800 37.8271 -25.7864 -23.9608 -25.7864 78.7106 29.0945 -23.9608 29.0945 -65.8475 GPRESSAVG: 676800 39.0491 -24.8389 -23.3255 -27.7217 78.2018 25.3168 -23.928 31.0975 -66.9948 TIMING: 676800 CPU: 2005.08, 0.00296319/step Wall: 2005.08, 0.00296319/step, 3.55847 hours remaining, 205.425781 MB of memory in use. ENERGY: 676800 744.1753 2063.9849 1928.9110 105.5204 -206038.8649 17904.1317 0.0000 0.0000 34321.1234 -148971.0182 299.7349 -183292.1416 -148872.2602 299.6957 83.4540 110.2285 557072.5006 16.8968 16.7520 PRESSURE: 677000 -110.971 -187.912 -38.8451 -187.912 -441.74 -0.880096 -38.8454 -0.880509 -167.353 GPRESSURE: 677000 -99.3561 -131.705 -37.9249 -166.611 -390.773 -8.75363 -55.579 -19.7249 -127.546 PRESSAVG: 677000 -18.0271 -37.2083 -40.883 -37.2083 60.1049 19.9782 -40.8831 19.9782 -80.5513 GPRESSAVG: 677000 -19.5231 -33.5371 -41.1587 -38.123 60.5443 21.5996 -38.7988 19.5515 -79.5488 TIMING: 677000 CPU: 2005.68, 0.00297507/step Wall: 2005.68, 0.00297507/step, 3.57256 hours remaining, 205.425781 MB of memory in use. ENERGY: 677000 753.6487 2054.7975 1961.8485 111.3515 -205411.9723 17202.2283 0.0000 0.0000 34400.2079 -148927.8899 300.4256 -183328.0978 -148830.8139 299.9462 -240.0213 -205.8916 558068.2677 -12.8245 -12.8426 PRESSURE: 677200 64.7696 16.8861 -99.055 16.8846 78.7439 -92.3712 -99.0562 -92.3716 96.9438 GPRESSURE: 677200 63.5964 98.1366 -173.136 -87.9977 145.736 -120.143 -71.9865 -131.895 121.426 PRESSAVG: 677200 24.4598 -43.7939 -30.7609 -43.7939 44.5411 -31.3315 -30.7608 -31.3315 -76.3619 GPRESSAVG: 677200 24.5295 -46.0293 -31.2505 -42.8799 44.7728 -32.7565 -30.543 -31.9227 -77.348 TIMING: 677200 CPU: 2006.27, 0.00297336/step Wall: 2006.27, 0.00297336/step, 3.57034 hours remaining, 205.425781 MB of memory in use. ENERGY: 677200 733.5571 2047.7988 1982.4124 117.2276 -206308.8585 17892.8120 0.0000 0.0000 34376.6309 -149158.4196 300.2197 -183535.0505 -149065.6306 300.3610 80.1524 110.2527 556838.8840 -2.4537 -2.6819 PRESSURE: 677400 11.1468 90.8591 125.857 90.8587 -13.8199 -12.2773 125.857 -12.2771 -132.38 GPRESSURE: 677400 71.747 108.728 123.445 117.106 -27.91 60.4051 166.092 -25.8312 -68.3551 PRESSAVG: 677400 30.7104 20.2636 4.05185 20.2636 14.7514 -42.9651 4.05193 -42.9651 9.91967 GPRESSAVG: 677400 30.671 20.6152 2.44897 21.5215 16.114 -40.4875 5.49143 -42.5169 8.65918 TIMING: 677400 CPU: 2006.87, 0.00298047/step Wall: 2006.87, 0.00298047/step, 3.57872 hours remaining, 205.425781 MB of memory in use. ENERGY: 677400 778.7396 2118.2238 1948.0082 107.9074 -205955.2908 17791.7728 0.0000 0.0000 34189.7199 -149020.9191 298.5873 -183210.6389 -148927.2255 299.6790 -45.0177 -8.1727 558524.4743 18.4605 18.4814 PRESSURE: 677600 -101.317 68.2475 40.8005 68.2459 -161.301 -40.7731 40.8005 -40.7712 -117.252 GPRESSURE: 677600 -74.2382 149.551 11.1044 97.5328 -114.954 9.34815 -19.5918 -76.1852 -98.2242 PRESSAVG: 677600 107.711 -4.53745 20.9817 -4.53755 -26.4229 29.7039 20.9817 29.7039 -68.2071 GPRESSAVG: 677600 108.114 -7.01301 21.4013 -4.46494 -27.8683 30.6443 19.2906 29.1498 -66.786 TIMING: 677600 CPU: 2007.46, 0.00298046/step Wall: 2007.46, 0.00298046/step, 3.57854 hours remaining, 205.425781 MB of memory in use. ENERGY: 677600 736.5800 2092.8591 1957.3930 118.1126 -205561.7491 17418.5593 0.0000 0.0000 34242.5593 -148995.6859 299.0488 -183238.2452 -148895.3051 300.0416 -126.6236 -95.8054 556397.7602 4.3602 4.4867 PRESSURE: 677800 45.6614 44.7072 -114.638 44.7068 -102.889 3.9851 -114.639 3.98426 -190.924 GPRESSURE: 677800 62.9374 -11.2284 -86.6871 111.509 -107.114 84.7425 -108.073 -18.0906 -112.641 PRESSAVG: 677800 20.3414 -22.709 12.6841 -22.709 -14.5906 -17.6836 12.6841 -17.6836 27.8659 GPRESSAVG: 677800 20.4495 -20.7548 12.4925 -21.0064 -16.2966 -19.0705 14.6108 -18.6912 28.5901 TIMING: 677800 CPU: 2008.06, 0.0029665/step Wall: 2008.06, 0.0029665/step, 3.56161 hours remaining, 205.425781 MB of memory in use. ENERGY: 677800 714.5268 2073.9539 1966.6123 107.9997 -205375.8166 17435.9718 0.0000 0.0000 34211.4347 -148865.3174 298.7770 -183076.7521 -148769.4594 299.5793 -82.7171 -52.2725 556763.7336 11.2056 10.9144 PRESSURE: 678000 166.668 -24.4451 -63.5607 -24.4447 83.0881 -115.943 -63.5605 -115.943 49.5894 GPRESSURE: 678000 186.045 -6.04871 -48.4818 0.794354 120.893 -70.0213 -116.774 -198.14 86.6404 PRESSAVG: 678000 44.2574 -0.27532 54.0779 -0.275338 -31.2741 -0.381053 54.0779 -0.381097 -4.07508 GPRESSAVG: 678000 43.9558 0.398356 55.8816 -1.65964 -30.0331 0.387365 52.3951 -0.922733 -5.05247 TIMING: 678000 CPU: 2008.65, 0.00298612/step Wall: 2008.65, 0.00298612/step, 3.58501 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: 678000 752.6871 2119.5712 1977.3896 122.6613 -205919.3598 17940.2292 0.0000 0.0000 34154.1275 -148852.6940 298.2765 -183006.8215 -148755.9994 299.7718 99.7819 131.1928 557068.3578 2.9694 2.9568 PRESSURE: 678200 -313.33 -104.772 -156.223 -104.772 -171.976 -112.82 -156.222 -112.818 27.2578 GPRESSURE: 678200 -266.246 -13.1642 -189.847 -163.321 -115.301 -60.6145 -133.807 -178.015 21.5193 PRESSAVG: 678200 -113.31 45.7696 -28.3248 45.7696 59.7183 8.62249 -28.3246 8.62256 27.3987 GPRESSAVG: 678200 -113.152 43.3075 -29.415 46.7877 61.0213 9.46639 -26.9105 8.76688 26.056 TIMING: 678200 CPU: 2009.25, 0.00297754/step Wall: 2009.25, 0.00297754/step, 3.57454 hours remaining, 205.425781 MB of memory in use. ENERGY: 678200 714.8419 2125.4008 1980.7897 100.5909 -205688.6077 17439.1103 0.0000 0.0000 34409.2291 -148918.6450 300.5044 -183327.8741 -148822.5405 300.4791 -152.6828 -120.0090 557886.7196 -8.7310 -8.6916 PRESSURE: 678400 28.7035 42.4086 89.7441 42.4096 377.943 19.2375 89.7446 19.2375 298.205 GPRESSURE: 678400 51.1807 77.6336 12.0371 34.2855 413.521 -34.9535 63.8301 -0.978231 325.557 PRESSAVG: 678400 -71.8214 -28.1762 -7.71995 -28.1762 8.90051 -39.9579 -7.71997 -39.9579 23.506 GPRESSAVG: 678400 -70.852 -26.7243 -7.87523 -29.5098 7.24057 -41.6143 -8.89613 -38.3353 24.6807 TIMING: 678400 CPU: 2009.84, 0.00297346/step Wall: 2009.84, 0.00297346/step, 3.56948 hours remaining, 205.425781 MB of memory in use. ENERGY: 678400 735.1754 2079.0275 1960.7628 107.3066 -206560.4682 18148.3721 0.0000 0.0000 34358.0599 -149171.7639 300.0575 -183529.8238 -149076.3165 299.6595 234.9506 263.4195 556615.1587 -13.1383 -12.9769 PRESSURE: 678600 -250.43 -96.3077 210.984 -96.3084 -133.802 -148.364 210.985 -148.361 65.3086 GPRESSURE: 678600 -226.331 -55.5363 197.679 -93.3366 -89.8358 -185.582 219.781 -64.0408 102.465 PRESSAVG: 678600 -56.1464 -60.6735 66.1086 -60.6735 -28.1164 -18.6539 66.1087 -18.6539 45.0847 GPRESSAVG: 678600 -56.2461 -62.593 65.0768 -58.7294 -27.5677 -18.4228 67.7962 -18.5276 44.6989 TIMING: 678600 CPU: 2010.44, 0.00297737/step Wall: 2010.44, 0.00297737/step, 3.574 hours remaining, 205.425781 MB of memory in use. ENERGY: 678600 723.2271 2064.8087 1982.2888 104.2485 -205716.0865 17500.5465 0.0000 0.0000 34144.7198 -149196.2471 298.1943 -183340.9669 -149095.9461 299.4934 -106.3076 -71.2341 557342.2728 -13.0594 -13.0383 PRESSURE: 678800 148.734 -35.8289 43.0592 -35.8284 327.101 0.135622 43.0594 0.135111 40.0066 GPRESSURE: 678800 118.144 -4.58632 78.3518 -39.1385 399.9 11.6407 2.18864 -62.5629 97.7311 PRESSAVG: 678800 24.7608 11.3548 46.1056 11.3548 5.15895 -24.9303 46.1056 -24.9302 27.1347 GPRESSAVG: 678800 25.0295 11.213 46.933 11.9484 4.88344 -23.9263 46.0648 -27.9473 27.3272 TIMING: 678800 CPU: 2011.04, 0.00298058/step Wall: 2011.04, 0.00298058/step, 3.57769 hours remaining, 205.425781 MB of memory in use. ENERGY: 678800 745.5979 2054.6624 1961.9674 116.0786 -206298.6465 18042.9877 0.0000 0.0000 34125.2452 -149252.1072 298.0243 -183377.3524 -149152.8853 298.8782 171.9472 205.2585 556752.2962 19.0181 19.0800 PRESSURE: 679000 264.352 73.7825 100.17 73.7805 127.772 -43.5383 100.171 -43.5393 -229.592 GPRESSURE: 679000 244.213 102.541 56.847 -14.1851 170.018 -58.7513 150.748 -39.4679 -142.498 PRESSAVG: 679000 13.6064 -34.5829 -3.9817 -34.583 -29.944 -44.4162 -3.98179 -44.4161 21.7216 GPRESSAVG: 679000 12.819 -33.2818 -2.68972 -35.682 -28.8506 -43.9816 -3.5366 -42.6016 21.3367 TIMING: 679000 CPU: 2011.63, 0.00297244/step Wall: 2011.63, 0.00297244/step, 3.56775 hours remaining, 205.425781 MB of memory in use. ENERGY: 679000 735.2884 2097.3490 1941.7315 107.4399 -206209.9152 17911.3321 0.0000 0.0000 34359.2411 -149057.5331 300.0678 -183416.7742 -148958.1675 299.1710 54.1773 90.5777 558720.9194 1.7947 1.7684 PRESSURE: 679200 -111.431 -60.6956 3.52183 -60.6973 -48.6114 -48.7803 3.5217 -48.7788 92.4762 GPRESSURE: 679200 -67.3416 -67.4519 -97.4418 29.5354 -11.9051 -29.4235 61.6441 -151.55 94.6607 PRESSAVG: 679200 -38.7763 2.56313 13.4245 2.56313 71.0456 -65.9356 13.4245 -65.9356 -16.5457 GPRESSAVG: 679200 -39.0462 0.528472 11.0043 3.27456 71.1759 -65.5066 11.9168 -67.6996 -16.3251 TIMING: 679200 CPU: 2012.22, 0.00296757/step Wall: 2012.22, 0.00296757/step, 3.56174 hours remaining, 205.425781 MB of memory in use. ENERGY: 679200 778.0341 2083.9800 1937.1574 112.4763 -205997.0070 17644.2883 0.0000 0.0000 34409.7036 -149031.3674 300.5085 -183441.0710 -148936.2499 299.6620 -22.5220 5.1380 558209.8976 5.2412 5.2682 PRESSURE: 679400 -121.149 114.372 -32.1896 114.371 -137.384 59.9044 -32.1903 59.9036 -123.491 GPRESSURE: 679400 -52.4248 161.04 -24.2632 105.048 -154.876 75.7324 0.240843 -26.8114 -82.7039 PRESSAVG: 679400 41.0613 25.5885 -11.9066 25.5886 -14.5652 -47.112 -11.9066 -47.112 16.7552 GPRESSAVG: 679400 41.2468 29.223 -11.3086 27.0715 -14.5037 -50.1997 -12.0395 -44.2653 16.9004 TIMING: 679400 CPU: 2012.82, 0.00296667/step Wall: 2012.82, 0.00296667/step, 3.56049 hours remaining, 205.425781 MB of memory in use. ENERGY: 679400 752.1556 2059.3475 1941.1531 123.7901 -205741.4183 17534.3501 0.0000 0.0000 34336.9537 -148993.6681 299.8732 -183330.6218 -148897.2023 299.6575 -127.3414 -96.6682 558462.4620 14.4171 14.5478 PRESSURE: 679600 -232.096 113.397 34.6423 113.397 -24.3772 122.622 34.6428 122.622 -7.42499 GPRESSURE: 679600 -257.776 172.903 82.13 88.4068 60.262 85.0989 26.4509 155.898 25.2649 PRESSAVG: 679600 -7.41155 -11.0962 -29.0299 -11.0962 58.154 -16.8225 -29.0299 -16.8225 -59.1109 GPRESSAVG: 679600 -6.76465 -10.3362 -27.5051 -12.638 57.5635 -16.4448 -28.9048 -17.7388 -58.6839 TIMING: 679600 CPU: 2013.41, 0.00294694/step Wall: 2013.41, 0.00294694/step, 3.53666 hours remaining, 205.425781 MB of memory in use. ENERGY: 679600 726.7558 2039.9677 1988.1325 102.8333 -205538.7162 17460.1674 0.0000 0.0000 34264.0050 -148956.8545 299.2361 -183220.8595 -148856.2944 299.6043 -87.9660 -57.4164 557640.7163 -2.7895 -2.6284 PRESSURE: 679800 36.8092 -57.1174 7.49776 -57.1174 -84.8848 68.3212 7.49721 68.3204 -33.5781 GPRESSURE: 679800 54.9329 -24.5816 1.07195 -90.8865 -95.106 37.4787 19.1266 155.146 53.1638 PRESSAVG: 679800 32.7223 2.39238 -0.13609 2.39242 3.29739 38.5982 -0.136172 38.5983 -56.7294 GPRESSAVG: 679800 33.2781 1.32574 -1.80912 2.16764 2.94662 38.841 -0.703151 39.0933 -56.5567 TIMING: 679800 CPU: 2014, 0.002976/step Wall: 2014, 0.002976/step, 3.57136 hours remaining, 205.425781 MB of memory in use. ENERGY: 679800 751.0712 2126.6628 1997.6892 115.5538 -205675.2350 17490.8558 0.0000 0.0000 34431.4612 -148761.9409 300.6985 -183193.4021 -148668.0289 300.3858 -27.2179 4.3302 556723.4551 -6.9032 -6.7773 PRESSURE: 680000 -281.721 -169.205 -94.0655 -169.204 -321.766 -87.9352 -94.0652 -87.9353 49.9294 GPRESSURE: 680000 -205.153 -79.6925 -111.421 -161.067 -298.944 -160.449 -98.1352 29.7539 47.4074 PRESSAVG: 680000 40.9607 45.1357 -3.16307 45.1356 -64.2019 -15.9596 -3.16313 -15.9594 57.6926 GPRESSAVG: 680000 40.5855 45.5476 -4.12526 44.0033 -63.2518 -17.235 -2.39068 -17.0262 57.0847 TIMING: 680000 CPU: 2014.6, 0.00298666/step Wall: 2014.6, 0.00298666/step, 3.58399 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: 680000 732.4716 2050.1642 1953.6577 107.7790 -205437.2231 17531.9738 0.0000 0.0000 34276.3101 -148784.8667 299.3435 -183061.1768 -148689.5656 300.3107 -184.5191 -152.2297 558869.7657 11.4838 11.4728 PRESSURE: 680200 -126.842 63.6903 25.4909 63.6888 -35.602 89.88 25.4908 89.8814 -41.803 GPRESSURE: 680200 -53.0129 53.4282 -8.89906 26.2829 10.3314 82.3264 51.1668 140.386 -55.9665 PRESSAVG: 680200 -5.4015 -4.80806 -41.1089 -4.80806 19.5076 -0.34847 -41.1089 -0.348358 4.72335 GPRESSAVG: 680200 -5.80438 -6.45138 -37.7411 -2.68278 18.8401 1.00424 -42.0648 0.0622511 5.78605 TIMING: 680200 CPU: 2015.2, 0.00298269/step Wall: 2015.2, 0.00298268/step, 3.57905 hours remaining, 205.425781 MB of memory in use. ENERGY: 680200 726.8587 2045.4257 1939.2780 100.2602 -205956.9160 17765.1932 0.0000 0.0000 34364.9998 -149014.9004 300.1181 -183379.9002 -148915.3467 299.4107 -68.0823 -32.8827 558102.6381 6.2765 6.2739 LDB: ============= START OF LOAD BALANCING ============== 2018.62 LDB: ============== END OF LOAD BALANCING =============== 2018.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2018.62 LDB: ============= START OF LOAD BALANCING ============== 2018.92 LDB: Largest compute 4820 load 0.032982 is 28.0% of average load 0.117777 LDB: Average compute 0.001737 is 1.5% of average load 0.117777 LDB: TIME 2018.92 LOAD: AVG 0.117777 MAX 0.196182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.449 MB LDB: TIME 2018.92 LOAD: AVG 0.117777 MAX 0.196182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 2018.92 LOAD: AVG 0.117777 MAX 0.196182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: ============== END OF LOAD BALANCING =============== 2018.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2018.93 PRESSURE: 680400 -52.0448 93.0178 55.7795 93.0166 28.954 -7.80633 55.7794 -7.80566 -41.7484 GPRESSURE: 680400 -43.0805 94.8267 -10.4368 149.903 79.1319 90.6535 167.996 -43.3188 -11.1926 PRESSAVG: 680400 -11.0432 7.25427 32.2618 7.25421 -11.0497 -8.13814 32.2618 -8.13811 5.53648 GPRESSAVG: 680400 -11.1807 6.98866 30.4618 6.45836 -11.6726 -5.93903 34.4309 -10.9336 6.34318 TIMING: 680400 CPU: 2015.8, 0.00301355/step Wall: 2015.8, 0.00301357/step, 3.61595 hours remaining, 206.707031 MB of memory in use. ENERGY: 680400 729.0880 2102.9500 1942.6753 107.5729 -205859.4164 17603.0317 0.0000 0.0000 34464.4394 -148909.6592 300.9865 -183374.0985 -148813.4035 298.9507 -21.6131 8.2863 559524.1827 -5.5188 -5.5034 PRESSURE: 680600 -313.084 84.3846 77.6387 84.384 -193.735 202.555 77.6381 202.555 179.796 GPRESSURE: 680600 -234.542 142.823 58.8482 -22.2883 -183.15 134.292 128.035 251.381 191.108 PRESSAVG: 680600 -31.4419 -26.1661 21.667 -26.1661 17.6055 -3.94657 21.667 -3.9465 -31.6948 GPRESSAVG: 680600 -31.7493 -23.2139 22.6364 -26.9143 19.4264 -4.83745 20.3536 -3.36232 -32.773 TIMING: 680600 CPU: 2016.39, 0.00294334/step Wall: 2016.39, 0.00294334/step, 3.53151 hours remaining, 206.707031 MB of memory in use. ENERGY: 680600 729.1347 2078.3086 1969.9308 124.2589 -206023.1142 17696.1078 0.0000 0.0000 34482.7863 -148942.5872 301.1467 -183425.3735 -148851.6256 299.4681 -109.0077 -75.5277 559952.3153 -15.1770 -15.0320 PRESSURE: 680800 -43.0188 -172.635 -44.3397 -172.633 -88.7186 138.204 -44.3394 138.205 334.356 GPRESSURE: 680800 0.073653 -207.51 -113.859 -124.062 -32.5301 110.629 -36.7339 181.373 346.794 PRESSAVG: 680800 -18.3756 18.1652 -1.38069 18.1653 -85.8224 40.9999 -1.38076 40.9999 86.5984 GPRESSAVG: 680800 -18.2918 14.3211 -2.63083 19.6296 -85.0691 38.6891 -0.298639 41.3635 85.671 TIMING: 680800 CPU: 2016.98, 0.0029491/step Wall: 2016.98, 0.0029491/step, 3.53827 hours remaining, 206.707031 MB of memory in use. ENERGY: 680800 730.0602 2129.6257 1958.1420 104.3919 -206248.2468 18029.5838 0.0000 0.0000 34338.6559 -148957.7873 299.8880 -183296.4432 -148863.3205 299.6396 67.5397 104.7792 559661.9268 -5.8665 -5.8967 PRESSURE: 681000 370.017 -62.5197 -44.4876 -62.5197 177.509 39.4214 -44.4873 39.4214 -29.1973 GPRESSURE: 681000 428.044 -51.0948 -112 -132.831 227.05 -5.66691 -27.5689 122.303 -39.4305 PRESSAVG: 681000 7.39191 -15.6108 -26.4074 -15.6107 -58.5656 36.6734 -26.4075 36.6734 -0.61765 GPRESSAVG: 681000 7.81214 -13.1862 -24.7512 -18.458 -60.0563 37.0705 -27.6327 38.4396 0.182055 TIMING: 681000 CPU: 2017.57, 0.0029713/step Wall: 2017.57, 0.0029713/step, 3.56474 hours remaining, 206.707031 MB of memory in use. ENERGY: 681000 724.5984 2136.1476 1980.0194 118.9028 -206439.4494 18176.3389 0.0000 0.0000 34333.4191 -148970.0232 299.8423 -183303.4423 -148878.6190 299.5838 172.7764 205.2213 557956.0274 -17.2638 -17.3541 PRESSURE: 681200 -266.195 -2.07524 35.3785 -2.07425 29.3023 -95.0548 35.379 -95.0546 141.994 GPRESSURE: 681200 -210.487 -24.3363 114.49 13.9101 76.5307 -95.8721 -53.381 -72.9869 144.153 PRESSAVG: 681200 -30.9566 -17.7093 -1.35391 -17.7093 23.8347 14.7745 -1.35397 14.7745 -7.79984 GPRESSAVG: 681200 -31.8807 -16.7997 -0.38275 -17.7468 24.2886 15.8475 -0.402433 12.6924 -7.62583 TIMING: 681200 CPU: 2018.16, 0.00296497/step Wall: 2018.16, 0.00296497/step, 3.55698 hours remaining, 206.707031 MB of memory in use. ENERGY: 681200 751.3473 2107.1829 1945.3115 120.3218 -206051.1330 17877.3333 0.0000 0.0000 34267.5468 -148982.0893 299.2670 -183249.6361 -148895.2689 299.4833 -31.6329 3.3989 559703.9003 -4.9739 -5.0726 PRESSURE: 681400 -74.8622 -279.009 190.683 -279.009 63.5722 -77.954 190.684 -77.9553 -368.595 GPRESSURE: 681400 -21.3286 -250.307 133.269 -216.131 73.1085 -126.921 219.947 3.8456 -352.674 PRESSAVG: 681400 9.92446 -28.9198 -16.5537 -28.9197 9.69633 55.8012 -16.5538 55.8013 -23.4272 GPRESSAVG: 681400 10.6124 -32.1581 -18.2943 -26.0545 9.70995 55.1681 -16.6078 55.5731 -23.9144 TIMING: 681400 CPU: 2018.76, 0.00295632/step Wall: 2018.76, 0.00295632/step, 3.54644 hours remaining, 206.707031 MB of memory in use. ENERGY: 681400 776.7542 2112.5623 1947.2368 111.7107 -205949.2209 17705.7642 0.0000 0.0000 34407.5098 -148887.6830 300.4893 -183295.1927 -148791.9048 299.6251 -126.6284 -100.2981 558891.6891 -1.2688 -1.1973 PRESSURE: 681600 62.7827 -79.3009 35.0943 -79.3008 -20.6803 14.9291 35.0948 14.9301 141.296 GPRESSURE: 681600 73.3921 -5.46427 16.0141 -144.366 24.7316 20.9687 20.7388 -79.8423 193.547 PRESSAVG: 681600 -10.7116 -58.3105 17.6753 -58.3106 28.3396 -15.8147 17.6754 -15.8148 -23.9262 GPRESSAVG: 681600 -10.1242 -57.3703 19.2995 -58.3622 27.7907 -16.118 16.126 -15.4689 -24.0008 TIMING: 681600 CPU: 2019.35, 0.00297066/step Wall: 2019.35, 0.00297066/step, 3.56348 hours remaining, 206.707031 MB of memory in use. ENERGY: 681600 772.2075 2069.7051 1959.2045 109.6856 -206094.5546 17865.8601 0.0000 0.0000 34275.8226 -149042.0694 299.3393 -183317.8919 -148944.2993 299.3157 61.1326 97.2234 557779.9162 -2.0994 -2.1114 PRESSURE: 681800 -344.067 179.822 -197.805 179.82 -108.984 44.211 -197.804 44.2128 1.31471 GPRESSURE: 681800 -311.835 150.535 -204.767 156.03 -61.6076 174.048 -147.78 25.703 12.2164 PRESSAVG: 681800 1.73986 7.08845 16.8221 7.08855 -37.679 13.0943 16.8221 13.0943 63.3848 GPRESSAVG: 681800 0.769481 7.43041 13.5123 7.90433 -37.318 13.465 20.5557 14.6277 64.1555 TIMING: 681800 CPU: 2019.94, 0.00296121/step Wall: 2019.94, 0.00296121/step, 3.55197 hours remaining, 206.707031 MB of memory in use. ENERGY: 681800 763.8378 2072.8226 1969.7693 113.8423 -205825.4627 17610.4877 0.0000 0.0000 34195.8697 -149098.8334 298.6410 -183294.7030 -149004.4069 298.8891 -150.5790 -120.4087 557949.4482 9.1486 9.2024 PRESSURE: 682000 -100.359 -48.196 -82.4081 -48.1963 149.287 122.15 -82.4088 122.148 -15.2393 GPRESSURE: 682000 -57.4921 -115.973 -81.0462 -22.9859 204.908 120.938 -74.0829 146.088 -17.0836 PRESSAVG: 682000 -42.4287 20.6819 -33.6845 20.6819 6.30219 8.5625 -33.6844 8.56258 16.1117 GPRESSAVG: 682000 -43.2508 19.5458 -30.3556 19.9416 6.9012 6.39979 -35.4631 8.79467 16.803 TIMING: 682000 CPU: 2020.54, 0.00300463/step Wall: 2020.54, 0.00300463/step, 3.60389 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: 682000 720.8748 2103.0838 1966.3616 110.8750 -206094.5328 17727.1448 0.0000 0.0000 34194.8489 -149271.3439 298.6321 -183466.1928 -149180.2289 298.9244 11.2297 43.4441 558432.4778 -6.6716 -6.5155 PRESSURE: 682200 -30.9676 -93.6358 -39.2449 -93.6366 184.753 -94.235 -39.2448 -94.2353 298.222 GPRESSURE: 682200 -3.71274 -69.8925 -0.0491434 -171.299 215.087 -32.9617 -35.056 -123.101 330.298 PRESSAVG: 682200 -38.563 23.4789 -0.0714022 23.4789 22.43 -39.5739 -0.071334 -39.5739 47.2323 GPRESSAVG: 682200 -36.9308 23.4646 -0.61912 22.3274 21.3234 -39.0549 0.869501 -39.561 46.1417 TIMING: 682200 CPU: 2021.14, 0.00298929/step Wall: 2021.14, 0.00298929/step, 3.58532 hours remaining, 206.707031 MB of memory in use. ENERGY: 682200 735.0807 2092.8579 1931.6651 95.0803 -206361.0402 18016.6274 0.0000 0.0000 34104.9602 -149384.7687 297.8471 -183489.7289 -149289.8654 298.5078 150.6691 180.5574 555836.5542 10.3664 10.1781 PRESSURE: 682400 3.40963 162.793 -67.9691 162.793 162.207 -25.6419 -67.9691 -25.6404 159.028 GPRESSURE: 682400 0.0933841 99.9126 -20.3031 108.614 197.683 14.9184 -129.571 -33.4616 212.688 PRESSAVG: 682400 -30.6447 -14.2768 23.7871 -14.2768 0.912309 -15.5854 23.7871 -15.5854 67.5617 GPRESSAVG: 682400 -30.0659 -15.29 25.6278 -13.0978 0.327462 -14.7727 21.2858 -15.8629 67.5002 TIMING: 682400 CPU: 2021.74, 0.00299654/step Wall: 2021.74, 0.00299654/step, 3.59385 hours remaining, 206.707031 MB of memory in use. ENERGY: 682400 703.2531 2121.6720 1944.0284 110.7304 -206297.2632 17837.3463 0.0000 0.0000 34022.1833 -149558.0498 297.1242 -183580.2330 -149466.0099 298.4046 108.2149 136.8215 556115.1614 12.6098 12.5873 PRESSURE: 682600 -78.0055 -11.6052 90.2025 -11.6039 -187.028 -13.6742 90.2017 -13.6723 92.8861 GPRESSURE: 682600 -22.1987 -151.118 133.15 82.2062 -161.887 -94.1187 183.471 -55.3944 100.49 PRESSAVG: 682600 -7.59556 23.1087 33.0303 23.1088 -15.4398 22.9049 33.0303 22.9048 7.64361 GPRESSAVG: 682600 -7.27945 22.2269 31.0854 22.4093 -16.0003 22.9184 33.1339 21.896 7.9135 TIMING: 682600 CPU: 2022.34, 0.00299568/step Wall: 2022.34, 0.00299568/step, 3.59265 hours remaining, 206.707031 MB of memory in use. ENERGY: 682600 769.5038 2135.3753 1937.4362 102.6590 -206623.3022 17826.0108 0.0000 0.0000 34316.7639 -149535.5533 299.6968 -183852.3172 -149437.1738 297.7822 -57.3825 -27.8654 557533.7727 -5.1306 -5.1221 PRESSURE: 682800 -106.481 59.5155 -66.9287 59.5158 -223.801 -42.5556 -66.9298 -42.5548 -84.5263 GPRESSURE: 682800 -125.557 -10.9935 5.30819 112.134 -200.073 -41.3016 -70.1516 -96.5131 -3.18034 PRESSAVG: 682800 -2.9153 -14.2328 -88.9275 -14.2328 25.4516 -70.9574 -88.9276 -70.9576 -35.9051 GPRESSAVG: 682800 -5.86863 -12.2134 -89.081 -15.7025 27.0756 -72.2124 -86.6038 -70.4124 -35.1295 TIMING: 682800 CPU: 2022.93, 0.00296147/step Wall: 2022.93, 0.00296147/step, 3.55147 hours remaining, 206.707031 MB of memory in use. ENERGY: 682800 774.4990 2106.5015 1942.1538 116.0680 -206172.2464 17757.7429 0.0000 0.0000 34047.5560 -149427.7252 297.3458 -183475.2811 -149323.2816 298.6643 -138.2693 -109.6034 557251.5966 -4.4563 -4.6408 PRESSURE: 683000 -32.7553 12.3182 -133.899 12.3179 -47.9005 -16.9985 -133.899 -16.9999 198.323 GPRESSURE: 683000 28.1151 58.4278 -65.1011 92.8996 37.4916 19.1481 -219.812 14.2879 159.28 PRESSAVG: 683000 -16.672 49.0845 34.3396 49.0844 -61.5852 -73.7178 34.3395 -73.7178 52.1179 GPRESSAVG: 683000 -14.2922 50.151 33.7753 49.029 -62.3779 -73.2961 31.2492 -73.0033 50.3048 TIMING: 683000 CPU: 2023.52, 0.00296615/step Wall: 2023.52, 0.00296615/step, 3.55691 hours remaining, 206.707031 MB of memory in use. ENERGY: 683000 722.0688 2126.3736 1924.1083 110.0647 -206432.6353 17966.4617 0.0000 0.0000 34022.3758 -149561.1825 297.1259 -183583.5583 -149469.8396 297.9551 39.2223 74.9622 557283.7413 -8.7131 -8.7884 PRESSURE: 683200 -225.934 -183.627 29.5676 -183.627 3.1248 -118.089 29.5664 -118.089 -45.1225 GPRESSURE: 683200 -196.743 -71.9847 26.4842 -239.759 17.2215 -108.781 47.8169 -93.8492 -0.45927 PRESSAVG: 683200 -59.6987 -3.51537 30.5237 -3.51525 3.57661 -43.3332 30.5236 -43.3332 50.7142 GPRESSAVG: 683200 -61.0399 -5.4316 31.8669 -0.939341 3.25175 -42.9541 30.4774 -44.4483 51.9915 TIMING: 683200 CPU: 2024.12, 0.00296087/step Wall: 2024.12, 0.00296087/step, 3.55041 hours remaining, 206.707031 MB of memory in use. ENERGY: 683200 730.0352 2091.2507 1972.2101 119.3327 -206194.6878 17647.8824 0.0000 0.0000 34098.5426 -149535.4340 297.7911 -183633.9766 -149438.3527 297.6435 -89.3105 -59.9936 557380.4691 -1.8026 -1.9322 PRESSURE: 683400 -152.915 88.6657 56.106 88.6652 15.9664 29.3827 56.1057 29.3829 -215.534 GPRESSURE: 683400 -90.0994 139.709 118.567 66.1303 37.3351 -16.6733 79.0167 92.2956 -200.414 PRESSAVG: 683400 5.21163 -4.44658 -12.5944 -4.44661 -2.78422 -48.8805 -12.5944 -48.8804 -6.24091 GPRESSAVG: 683400 5.14795 -2.37654 -14.7295 -5.28996 -2.78717 -48.6727 -10.6995 -48.1018 -6.00106 TIMING: 683400 CPU: 2024.71, 0.00296603/step Wall: 2024.71, 0.00296603/step, 3.55644 hours remaining, 206.707031 MB of memory in use. ENERGY: 683400 756.8756 2128.3426 1931.2398 108.3380 -206294.8230 17814.3645 0.0000 0.0000 34164.7368 -149390.9256 298.3691 -183555.6625 -149291.8644 298.5312 -117.4942 -84.3926 558764.9755 -1.2712 -1.2134 PRESSURE: 683600 -100.802 -22.5541 -94.0485 -22.5536 92.5079 106.042 -94.0499 106.042 -12.7967 GPRESSURE: 683600 -71.2538 -6.73194 10.4136 -33.9943 127.158 191.636 -112.391 188.695 28.8895 PRESSAVG: 683600 -30.0164 -19.473 17.7552 -19.4731 31.9673 18.0058 17.7553 18.0057 -28.8638 GPRESSAVG: 683600 -29.7654 -19.0341 20.4768 -21.004 31.727 16.3094 17.0369 17.5633 -28.8158 TIMING: 683600 CPU: 2025.3, 0.00295027/step Wall: 2025.3, 0.00295027/step, 3.53738 hours remaining, 206.707031 MB of memory in use. ENERGY: 683600 761.1901 2061.5049 1944.9300 107.9964 -206298.0476 17913.9347 0.0000 0.0000 34344.5711 -149163.9203 299.9397 -183508.4914 -149065.8126 298.5797 -7.0301 28.2647 557641.7394 -8.9710 -8.9514 PRESSURE: 683800 -34.7301 -71.2571 141.197 -71.2576 -6.72389 47.357 141.196 47.3576 206.816 GPRESSURE: 683800 56.9501 -66.6337 112.072 -74.952 19.1877 -17.6872 166.228 64.1701 187.472 PRESSAVG: 683800 -45.6388 -18.7964 30.3768 -18.7966 51.5721 39.6407 30.3768 39.6407 22.8419 GPRESSAVG: 683800 -45.1264 -21.7193 29.1831 -15.2115 52.3101 41.7961 30.0639 40.4916 21.3936 TIMING: 683800 CPU: 2025.89, 0.00295149/step Wall: 2025.89, 0.00295149/step, 3.53867 hours remaining, 206.707031 MB of memory in use. ENERGY: 683800 757.9370 2128.1634 1950.9392 107.6944 -206033.7744 17905.1270 0.0000 0.0000 34174.9849 -149008.9283 298.4586 -183183.9132 -148917.7920 300.0435 55.1205 87.8700 558590.2251 9.5917 9.5258 PRESSURE: 684000 -130.638 13.8923 178.771 13.8935 -324.56 64.0499 178.771 64.0508 -313.933 GPRESSURE: 684000 -127.691 16.1626 160.479 73.1137 -291.601 158.756 98.0585 40.5258 -273.621 PRESSAVG: 684000 -7.06554 -66.2065 7.57625 -66.2066 53.7324 28.0566 7.57622 28.0566 -26.4467 GPRESSAVG: 684000 -5.90686 -65.5645 9.01742 -68.7339 53.0038 29.504 6.29191 26.9618 -26.8779 TIMING: 684000 CPU: 2026.48, 0.00294985/step Wall: 2026.48, 0.00294985/step, 3.53654 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: 684000 741.2754 2089.6932 1958.9073 101.4708 -205932.0205 17555.4830 0.0000 0.0000 34406.1026 -149079.0882 300.4771 -183485.1908 -148983.8401 298.8005 -256.3773 -230.9712 558932.0345 6.7401 6.7397 PRESSURE: 684200 -43.0508 -61.6407 49.7904 -61.6401 11.5542 28.4315 49.7906 28.4302 -269.955 GPRESSURE: 684200 5.85721 -40.2339 134.473 -56.072 16.2881 -68.6015 59.6046 60.0572 -224.074 PRESSAVG: 684200 -27.7524 -41.0278 56.867 -41.0278 37.469 64.5589 56.867 64.5589 -19.9769 GPRESSAVG: 684200 -28.3662 -40.5395 54.9154 -42.345 37.0399 63.9482 59.7449 64.9713 -19.017 TIMING: 684200 CPU: 2027.07, 0.00296151/step Wall: 2027.07, 0.00296151/step, 3.55035 hours remaining, 206.707031 MB of memory in use. ENERGY: 684200 751.1187 2120.7301 1970.2478 122.9092 -205948.6181 17563.1283 0.0000 0.0000 34338.3353 -149082.1488 299.8852 -183420.4841 -148984.2750 299.2655 -100.4839 -67.3094 556542.4484 -3.4201 -3.4478 LDB: ============= START OF LOAD BALANCING ============== 2030.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2030.5 LDB: =============== DONE WITH MIGRATION ================ 2030.5 LDB: ============= START OF LOAD BALANCING ============== 2030.79 LDB: Largest compute 4820 load 0.033293 is 28.2% of average load 0.117873 LDB: Average compute 0.001731 is 1.5% of average load 0.117873 LDB: TIME 2030.8 LOAD: AVG 0.117873 MAX 0.196097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 2030.8 LOAD: AVG 0.117873 MAX 0.196097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.934 MB LDB: TIME 2030.8 LOAD: AVG 0.117873 MAX 0.196097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2030.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2030.8 PRESSURE: 684400 -287.804 38.3737 7.38392 38.3735 -329.151 163.339 7.38477 163.34 -49.4802 GPRESSURE: 684400 -222.785 20.852 -74.3722 17.8676 -306.534 124.255 9.16073 246.752 -40.2451 PRESSAVG: 684400 11.8686 25.5674 -6.35 25.5674 50.448 73.8181 -6.35008 73.8181 -18.4737 GPRESSAVG: 684400 12.5701 23.8597 -5.87004 27.2533 49.9881 73.3543 -7.97458 73.3034 -18.0845 TIMING: 684400 CPU: 2027.67, 0.00300443/step Wall: 2027.67, 0.00300443/step, 3.60164 hours remaining, 205.996094 MB of memory in use. ENERGY: 684400 766.5768 2137.5489 1973.2137 106.9587 -205871.9439 17544.3206 0.0000 0.0000 34346.6753 -148996.6499 299.9581 -183343.3252 -148906.5389 300.1085 -222.1450 -189.8545 558875.1957 14.6143 14.8245 PRESSURE: 684600 -98.3089 -45.3266 83.3553 -45.3265 -209.023 -87.0784 83.3556 -87.0771 -178.674 GPRESSURE: 684600 -120.362 -17.6258 47.6854 -58.4245 -181.429 -70.4768 45.3616 -92.4785 -98.8833 PRESSAVG: 684600 10.2309 15.1024 -0.00807593 15.1024 -24.4499 -0.770093 -0.00807028 -0.770166 -20.8192 GPRESSAVG: 684600 9.91787 15.4317 0.487029 15.7617 -23.2425 0.905257 -0.0549365 -1.36999 -21.7888 TIMING: 684600 CPU: 2028.26, 0.00295805/step Wall: 2028.26, 0.00295805/step, 3.54588 hours remaining, 205.996094 MB of memory in use. ENERGY: 684600 729.2143 2049.4602 1970.6615 108.6930 -205761.9941 17639.2245 0.0000 0.0000 34139.1529 -149125.5877 298.1457 -183264.7406 -149029.3091 300.3426 -162.0020 -133.5579 559070.3656 -11.6794 -11.7045 PRESSURE: 684800 -77.0974 -14.9467 15.5307 -14.9461 -81.4878 82.72 15.5312 82.7206 92.532 GPRESSURE: 684800 -8.64941 -56.0953 134.207 -18.2072 -80.0446 124.204 -88.5856 64.2941 118.169 PRESSAVG: 684800 49.8587 20.69 -3.17715 20.69 -24.0537 24.8331 -3.17719 24.8332 -4.37869 GPRESSAVG: 684800 49.4498 20.5992 -1.16604 20.4353 -24.1202 23.7383 -4.67902 23.7549 -3.99195 TIMING: 684800 CPU: 2028.86, 0.00296321/step Wall: 2028.86, 0.00296321/step, 3.5519 hours remaining, 205.996094 MB of memory in use. ENERGY: 684800 717.8584 2087.7235 2004.9518 109.1905 -206144.7448 17697.9774 0.0000 0.0000 34256.5676 -149270.4757 299.1711 -183527.0432 -149175.2519 298.9452 -22.0177 9.8250 557161.1526 7.1421 7.1125 PRESSURE: 685000 -106.386 -28.403 -4.99904 -28.4027 -14.9015 55.8447 -4.99953 55.8452 143.428 GPRESSURE: 685000 -56.8518 29.5458 -1.62416 -1.09818 -8.72821 132.51 83.6687 -38.7078 184.633 PRESSAVG: 685000 -33.8977 -62.7669 27.6939 -62.7669 -51.6543 -10.5974 27.6939 -10.5974 29.6512 GPRESSAVG: 685000 -33.4316 -64.1994 24.3557 -61.9574 -52.2966 -9.47172 31.4976 -10.2343 29.7187 TIMING: 685000 CPU: 2029.45, 0.00297974/step Wall: 2029.45, 0.00297974/step, 3.57155 hours remaining, 205.996094 MB of memory in use. ENERGY: 685000 735.6746 2126.9456 1987.5129 116.7714 -206482.1458 17902.7550 0.0000 0.0000 34381.9205 -149230.5657 300.2659 -183612.4862 -149138.5226 298.8454 7.3799 39.6842 556283.6004 -18.6336 -18.6698 PRESSURE: 685200 -113.471 -31.4864 -68.0585 -31.485 -25.9114 110.487 -68.0585 110.488 38.3204 GPRESSURE: 685200 -74.7529 -129.686 -80.5895 9.67371 34.3857 135.782 -117.599 168.934 21.9937 PRESSAVG: 685200 2.11362 -5.20376 -13.6135 -5.20371 0.48725 8.97267 -13.6134 8.97254 -4.50498 GPRESSAVG: 685200 1.65351 -2.35509 -14.2463 -5.69939 0.0563039 8.2466 -13.7001 10.04 -4.20478 TIMING: 685200 CPU: 2030.06, 0.00301355/step Wall: 2030.06, 0.00301355/step, 3.61191 hours remaining, 205.996094 MB of memory in use. ENERGY: 685200 795.0498 2193.4068 1946.5742 105.0463 -206283.2674 17865.2586 0.0000 0.0000 34121.4202 -149256.5115 297.9908 -183377.9317 -149170.6630 299.1480 -33.6874 -6.1245 556942.2902 -0.6347 -0.8317 PRESSURE: 685400 427.362 -68.7701 -80.012 -68.7705 -91.1186 4.12284 -80.0102 4.12273 -179.178 GPRESSURE: 685400 405.554 -38.2088 -92.0054 -90.4392 -36.4 8.3225 -164.381 -11.4445 -105.992 PRESSAVG: 685400 41.0888 -51.0294 -18.698 -51.0292 -8.01261 15.1761 -18.6981 15.176 -1.57362 GPRESSAVG: 685400 40.6639 -50.9238 -14.8292 -52.9319 -6.86992 14.1885 -19.6602 15.5743 -2.42892 TIMING: 685400 CPU: 2030.65, 0.0029815/step Wall: 2030.65, 0.00298149/step, 3.57332 hours remaining, 205.996094 MB of memory in use. ENERGY: 685400 727.0049 2109.4847 1958.9910 110.5203 -206393.0728 18081.0194 0.0000 0.0000 34197.9130 -149208.1395 298.6589 -183406.0525 -149118.2940 299.6269 52.3551 87.7208 557778.4023 10.5009 10.4550 PRESSURE: 685600 -167.037 -74.2157 -88.7114 -74.2169 30.2631 -52.3895 -88.7106 -52.3895 42.4434 GPRESSURE: 685600 -142.483 94.6334 -39.8653 -220.916 24.535 -79.3513 2.32181 -80.6556 128.004 PRESSAVG: 685600 -19.9193 -5.89731 -58.4145 -5.8973 68.3659 -1.7777 -58.4145 -1.77772 -50.0887 GPRESSAVG: 685600 -19.3394 -6.64433 -60.4196 -5.21964 66.5481 -1.07172 -58.3747 -1.54691 -49.1022 TIMING: 685600 CPU: 2031.25, 0.00298996/step Wall: 2031.25, 0.00298996/step, 3.5833 hours remaining, 205.996094 MB of memory in use. ENERGY: 685600 727.2801 2110.8989 1979.1328 127.9169 -206278.8189 17759.4014 0.0000 0.0000 34413.0953 -149161.0936 300.5381 -183574.1889 -149063.1564 299.4179 -31.4436 3.3521 556725.0564 -0.5474 -0.6312 PRESSURE: 685800 181.032 -10.2515 -202.313 -10.2509 25.0987 59.2075 -202.313 59.2075 159.411 GPRESSURE: 685800 198.614 52.7155 -150.02 -27.0878 61.9915 53.752 -235.614 85.0121 190.957 PRESSAVG: 685800 -98.0928 14.3072 28.825 14.3072 2.71601 -21.2848 28.825 -21.2849 73.9498 GPRESSAVG: 685800 -97.7156 11.9454 29.1641 15.7613 1.08594 -21.1017 28.595 -21.1574 74.587 TIMING: 685800 CPU: 2031.85, 0.00297916/step Wall: 2031.85, 0.00297916/step, 3.5702 hours remaining, 205.996094 MB of memory in use. ENERGY: 685800 727.0592 2139.5267 1965.5500 121.0559 -206208.6196 17929.1890 0.0000 0.0000 34006.9370 -149319.3018 296.9910 -183326.2388 -149223.4920 299.0408 121.8473 150.5208 556434.7302 -7.1423 -7.3475 PRESSURE: 686000 -29.7242 75.8445 -10.6169 75.8452 91.8759 -63.1326 -10.6174 -63.1325 -100.183 GPRESSURE: 686000 -4.2203 82.5398 8.41378 33.8763 107.314 -13.7798 8.83104 -36.9321 -43.4078 PRESSAVG: 686000 19.9809 19.5267 -33.2764 19.5267 -31.8408 -13.4863 -33.2763 -13.4863 13.6327 GPRESSAVG: 686000 20.1628 23.2323 -34.5055 17.0081 -30.6729 -14.0774 -32.4045 -14.4241 12.8589 TIMING: 686000 CPU: 2032.44, 0.00295104/step Wall: 2032.44, 0.00295104/step, 3.53633 hours remaining, 205.996094 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: 686000 758.6716 2097.7913 1989.1505 117.7794 -206447.8512 17958.0400 0.0000 0.0000 34244.4354 -149281.9830 299.0652 -183526.4184 -149184.0297 298.5919 -12.6771 19.8951 558550.4589 0.5910 0.7829 PRESSURE: 686200 -253.043 0.329789 46.7883 0.329197 -156.619 64.7009 46.7885 64.7017 -160.151 GPRESSURE: 686200 -201.905 5.055 62.0478 -28.035 -150.806 80.6147 -5.14071 -5.34757 -121.251 PRESSAVG: 686200 -52.2368 -9.96632 -16.8475 -9.96633 28.4061 61.2497 -16.8474 61.2497 28.7302 GPRESSAVG: 686200 -52.2985 -10.5149 -15.3884 -9.39818 28.9418 61.8995 -17.4225 60.8302 28.6349 TIMING: 686200 CPU: 2033.03, 0.00295185/step Wall: 2033.03, 0.00295185/step, 3.53714 hours remaining, 205.996094 MB of memory in use. ENERGY: 686200 804.8140 2096.7334 1960.0223 121.7093 -206231.7209 17573.7141 0.0000 0.0000 34126.8955 -149547.8324 298.0387 -183674.7278 -149450.0174 298.8373 -189.9375 -157.9875 556892.6011 1.6332 1.7594 PRESSURE: 686400 -171.355 29.4122 38.8628 29.4118 -138.146 -14.6501 38.8625 -14.6502 60.5409 GPRESSURE: 686400 -125.69 -0.921828 45.7037 39.5719 -99.902 24.5021 65.8934 -39.6151 71.8026 PRESSAVG: 686400 -18.6508 -14.6157 -30.3157 -14.6157 15.9016 -51.6286 -30.3156 -51.6285 -7.9482 GPRESSAVG: 686400 -19.4469 -16.1813 -31.9397 -13.6888 15.5194 -51.7055 -28.0212 -51.2531 -6.27837 TIMING: 686400 CPU: 2033.62, 0.00296703/step Wall: 2033.62, 0.00296703/step, 3.55516 hours remaining, 205.996094 MB of memory in use. ENERGY: 686400 778.0594 2131.8716 1967.6206 105.1013 -206259.5262 17675.3078 0.0000 0.0000 34163.1031 -149438.4625 298.3549 -183601.5655 -149343.5429 298.2108 -82.9866 -51.2632 557425.1229 -3.5658 -3.4020 PRESSURE: 686600 -101.729 -66.1075 37.3608 -66.1086 23.3896 -1.06126 37.3621 -1.06061 -232.734 GPRESSURE: 686600 -92.1044 -32.235 -25.4875 -29.9977 50.1379 -53.8371 141.826 33.3642 -169.514 PRESSAVG: 686600 57.7491 -53.7917 33.8596 -53.7916 10.482 9.76012 33.8596 9.76002 -48.5235 GPRESSAVG: 686600 57.5066 -54.1507 34.411 -52.62 11.0165 8.23472 33.2618 9.87765 -48.7885 TIMING: 686600 CPU: 2034.21, 0.00295606/step Wall: 2034.21, 0.00295606/step, 3.54185 hours remaining, 205.996094 MB of memory in use. ENERGY: 686600 721.3501 2091.5078 1970.0867 122.5560 -206284.1060 17663.7433 0.0000 0.0000 34346.7217 -149368.1405 299.9585 -183714.8621 -149272.7475 299.0084 -103.6909 -70.4937 557805.7951 6.5692 6.5782 PRESSURE: 686800 -250.234 151.21 8.72644 151.209 -178.162 76.6467 8.72529 76.6481 -264.243 GPRESSURE: 686800 -257.995 204.105 110.717 92.9258 -146.248 29.6445 21.5678 66.2516 -185.48 PRESSAVG: 686800 -41.7319 -46.5492 20.3584 -46.5492 44.0038 24.1716 20.3584 24.1717 -38.9379 GPRESSAVG: 686800 -40.4642 -44.0654 20.9617 -48.2631 44.6239 26.2534 19.7107 24.2503 -40.9352 TIMING: 686800 CPU: 2034.8, 0.00294296/step Wall: 2034.8, 0.00294296/step, 3.526 hours remaining, 205.996094 MB of memory in use. ENERGY: 686800 770.2390 2109.7221 1955.8746 116.9819 -206053.1019 17628.5006 0.0000 0.0000 34154.3981 -149317.3856 298.2789 -183471.7837 -149227.4025 299.4189 -230.8795 -196.5743 559442.3160 -12.2220 -12.2585 PRESSURE: 687000 25.6515 24.9586 -34.0137 24.9605 -270.103 -92.159 -34.0129 -92.1591 -69.0081 GPRESSURE: 687000 43.5103 -62.7187 -20.5499 17.9241 -244.599 -26.4358 -97.3533 -74.1438 -21.337 PRESSAVG: 687000 -14.5708 -5.85589 25.2889 -5.85587 0.254501 -49.7263 25.2888 -49.7262 -11.2702 GPRESSAVG: 687000 -15.2148 -7.78454 26.463 -5.90998 -0.418137 -48.7121 25.0879 -50.4318 -10.3108 TIMING: 687000 CPU: 2035.39, 0.00296273/step Wall: 2035.39, 0.00296273/step, 3.54951 hours remaining, 205.996094 MB of memory in use. ENERGY: 687000 731.0027 2045.4224 1933.9427 114.4920 -206183.4935 17737.0941 0.0000 0.0000 34125.8320 -149495.7077 298.0294 -183621.5397 -149401.2588 299.2201 -104.4865 -74.1419 558433.6635 -8.5289 -8.6479 PRESSURE: 687200 -234.619 118.491 188.995 118.491 -145.385 100.816 188.994 100.815 -183.942 GPRESSURE: 687200 -210.969 43.9043 236.677 138.16 -114.022 60.4991 77.0968 104.784 -139.613 PRESSAVG: 687200 -19.1431 11.2708 32.9746 11.2708 111.195 33.6153 32.9746 33.6153 -75.1773 GPRESSAVG: 687200 -18.0596 11.2783 32.3691 13.5271 111.043 32.5269 30.8718 33.5467 -76.203 TIMING: 687200 CPU: 2035.98, 0.00295425/step Wall: 2035.98, 0.00295425/step, 3.53919 hours remaining, 205.996094 MB of memory in use. ENERGY: 687200 760.4089 2085.6441 1976.2534 108.0905 -206173.0631 17570.7022 0.0000 0.0000 34259.7661 -149412.1979 299.1991 -183671.9640 -149314.4160 298.4698 -187.9821 -154.8682 557947.2865 5.6250 5.5935 PRESSURE: 687400 197.519 150.529 20.7066 150.529 165.874 127.796 20.7059 127.795 68.3213 GPRESSURE: 687400 236.8 57.5382 -59.7384 55.6448 174.163 3.6669 75.8328 203.575 113.895 PRESSAVG: 687400 -16.1872 8.57724 3.82704 8.57724 39.9538 -18.0463 3.8271 -18.0463 1.26016 GPRESSAVG: 687400 -17.6167 11.0913 3.82283 6.61446 39.8865 -21.0562 4.27096 -16.2011 2.18175 TIMING: 687400 CPU: 2036.58, 0.00296721/step Wall: 2036.58, 0.00296721/step, 3.55456 hours remaining, 205.996094 MB of memory in use. ENERGY: 687400 758.0158 2075.5087 1937.6439 117.1591 -206640.0568 18129.3429 0.0000 0.0000 34402.1081 -149220.2783 300.4422 -183622.3864 -149125.3232 299.1525 143.9050 174.9523 556239.8050 8.3422 8.1505 PRESSURE: 687600 159.688 -9.40815 -267.303 -9.40909 -132.713 -69.6661 -267.304 -69.6663 231.874 GPRESSURE: 687600 215.659 -48.7723 -253.572 -28.4143 -61.1704 -8.26715 -305.953 -65.7351 198.912 PRESSAVG: 687600 16.8728 -22.4078 -60.0761 -22.4078 79.02 2.57151 -60.0762 2.57151 -63.1674 GPRESSAVG: 687600 17.5402 -24.3196 -60.783 -21.7954 79.2095 4.71785 -58.304 1.85981 -63.9673 TIMING: 687600 CPU: 2037.17, 0.00298518/step Wall: 2037.17, 0.00298518/step, 3.57592 hours remaining, 205.996094 MB of memory in use. ENERGY: 687600 764.0287 2108.5629 1951.8183 117.6741 -206344.8478 17955.2536 0.0000 0.0000 34372.2140 -149075.2962 300.1811 -183447.5102 -148981.2501 299.9807 86.2827 117.8003 557774.0067 10.9085 10.9275 PRESSURE: 687800 -295.503 -33.8344 -72.2678 -33.8343 -57.0679 17.6421 -72.2672 17.6428 -212.87 GPRESSURE: 687800 -243.229 11.1355 -49.6255 -58.1354 -39.4476 -14.2168 -27.8374 47.4868 -193.06 PRESSAVG: 687800 -63.7259 18.2272 -15.8647 18.2274 57.7524 -26.6902 -15.8647 -26.6902 -7.60042 GPRESSAVG: 687800 -63.389 18.6069 -14.7847 16.9955 57.1022 -28.2798 -16.1144 -26.4122 -7.36585 TIMING: 687800 CPU: 2037.77, 0.00298502/step Wall: 2037.77, 0.00298502/step, 3.57556 hours remaining, 205.996094 MB of memory in use. ENERGY: 687800 787.3811 2121.4292 1957.7892 120.2147 -206371.7556 17841.3481 0.0000 0.0000 34535.7758 -149007.8176 301.6095 -183543.5933 -148914.0517 299.7086 -188.4801 -158.5791 558339.3304 -4.5246 -4.5509 PRESSURE: 688000 -86.6413 -113.51 -36.3636 -113.509 -111.007 118.375 -36.3633 118.375 54.744 GPRESSURE: 688000 -67.4022 -140.444 -46.814 -104.785 -65.6813 66.439 22.2097 111.679 69.2545 PRESSAVG: 688000 -61.379 -34.6946 -3.04342 -34.6946 31.9594 14.4676 -3.04339 14.4676 -14.3028 GPRESSAVG: 688000 -61.2843 -34.0475 -1.69754 -33.4261 31.1944 17.9403 -4.08285 12.4219 -13.2613 TIMING: 688000 CPU: 2038.37, 0.00297146/step Wall: 2038.37, 0.00297146/step, 3.55915 hours remaining, 205.996094 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: 688000 728.4752 2021.3637 1975.3174 114.9582 -205944.4549 17800.6153 0.0000 0.0000 34364.6051 -148939.1200 300.1146 -183303.7251 -148836.3036 300.5591 -47.6347 -21.2763 558580.5394 -14.5741 -14.4504 PRESSURE: 688200 -105.706 -23.1452 -184.908 -23.1469 -57.266 121.507 -184.909 121.508 -189.587 GPRESSURE: 688200 -49.3426 -47.5725 -96.1561 -38.8259 -23.3543 140.094 -177.864 35.9257 -186.567 PRESSAVG: 688200 -5.00057 0.927754 -43.2368 0.927696 66.539 -14.2331 -43.2367 -14.2331 5.10173 GPRESSAVG: 688200 -4.80619 -0.372368 -44.6065 0.199569 67.653 -16.7939 -44.9542 -11.6233 3.68325 TIMING: 688200 CPU: 2038.96, 0.00296923/step Wall: 2038.96, 0.00296923/step, 3.55631 hours remaining, 205.996094 MB of memory in use. ENERGY: 688200 759.4627 2086.1730 1943.3124 100.7707 -206195.9632 17881.5907 0.0000 0.0000 34366.6411 -149058.0126 300.1324 -183424.6536 -148962.5033 299.7784 -117.5197 -86.4214 558393.9441 22.2134 22.1767 LDB: ============= START OF LOAD BALANCING ============== 2042.39 LDB: ============== END OF LOAD BALANCING =============== 2042.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2042.39 LDB: ============= START OF LOAD BALANCING ============== 2042.69 LDB: Largest compute 4820 load 0.032868 is 27.9% of average load 0.117943 LDB: Average compute 0.001729 is 1.5% of average load 0.117943 LDB: TIME 2042.69 LOAD: AVG 0.117943 MAX 0.199899 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 2042.69 LOAD: AVG 0.117943 MAX 0.199899 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.461 MB LDB: TIME 2042.69 LOAD: AVG 0.117943 MAX 0.199899 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.461 MB LDB: ============== END OF LOAD BALANCING =============== 2042.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2042.7 PRESSURE: 688400 -39.0973 23.7946 -84.5046 23.7949 105.099 -22.9906 -84.5046 -22.9905 -358.471 GPRESSURE: 688400 -20.4464 6.13285 -44.3592 7.8636 207.235 -74.0744 -91.1559 13.0559 -382.715 PRESSAVG: 688400 -13.2701 -2.90763 11.3049 -2.90763 69.2626 12.7451 11.3049 12.745 -59.6378 GPRESSAVG: 688400 -14.107 -3.82164 11.4795 -1.03547 68.9161 14.4335 13.8347 10.6988 -58.4896 TIMING: 688400 CPU: 2039.57, 0.00304915/step Wall: 2039.57, 0.00304915/step, 3.65187 hours remaining, 205.355469 MB of memory in use. ENERGY: 688400 797.8348 2070.0742 1950.5713 112.7886 -206015.9088 17748.4605 0.0000 0.0000 34227.2717 -149108.9077 298.9153 -183336.1794 -149015.6233 299.6436 -97.4898 -65.3088 557185.7677 -1.2151 -1.2268 PRESSURE: 688600 -213.839 -5.8979 -18.1017 -5.89796 -20.5603 174.297 -18.1001 174.297 -455.515 GPRESSURE: 688600 -178.083 125.399 4.14926 -76.96 35.4507 92.0892 -2.80934 203.192 -444.431 PRESSAVG: 688600 -17.3766 -1.98064 2.54185 -1.98063 45.5532 29.6024 2.54192 29.6025 -60.1007 GPRESSAVG: 688600 -15.958 -0.525843 4.04386 -1.91439 44.6408 28.2139 3.84057 31.6126 -60.4089 TIMING: 688600 CPU: 2040.16, 0.00295814/step Wall: 2040.16, 0.00295814/step, 3.5427 hours remaining, 205.558594 MB of memory in use. ENERGY: 688600 782.0222 2079.7623 1927.4903 114.2917 -205940.8238 17618.5609 0.0000 0.0000 34349.8248 -149068.8717 299.9856 -183418.6965 -148975.2112 299.4744 -229.9715 -195.6878 557282.9357 -10.6414 -10.5754 PRESSURE: 688800 -129.453 -206.827 -76.6647 -206.829 -102.668 -15.4248 -76.664 -15.4259 -45.0563 GPRESSURE: 688800 -94.293 -207.503 -46.3145 -194.729 -71.3883 38.778 -110.509 -66.1006 -17.5577 PRESSAVG: 688800 15.7231 -19.9496 23.6478 -19.9497 49.6434 36.9808 23.6478 36.9807 -21.1221 GPRESSAVG: 688800 15.2604 -20.3718 24.1874 -19.3707 50.9258 35.4394 21.1657 37.9807 -21.8773 TIMING: 688800 CPU: 2040.75, 0.0029613/step Wall: 2040.75, 0.0029613/step, 3.54632 hours remaining, 205.558594 MB of memory in use. ENERGY: 688800 753.8209 2087.3543 1968.1656 110.6696 -206290.0087 17766.7424 0.0000 0.0000 34385.2126 -149218.0434 300.2946 -183603.2560 -149117.9892 299.7102 -92.3923 -61.0797 556578.2180 14.7481 14.7697 PRESSURE: 689000 -124.814 -40.1631 -274.475 -40.1622 -265.279 -88.2336 -274.475 -88.2328 -46.2126 GPRESSURE: 689000 -138.587 3.98809 -302.121 -20.9673 -239.6 -45.5859 -219.168 -114.727 41.989 PRESSAVG: 689000 -59.5882 -39.4827 -26.2693 -39.4827 -8.72491 -31.8306 -26.2693 -31.8307 89.6798 GPRESSAVG: 689000 -59.3822 -40.2015 -27.4884 -40.1749 -9.19481 -29.0941 -24.5524 -34.0188 89.9345 TIMING: 689000 CPU: 2041.35, 0.0029737/step Wall: 2041.35, 0.0029737/step, 3.56101 hours remaining, 205.558594 MB of memory in use. ENERGY: 689000 778.2260 2048.1433 1939.4626 109.2869 -205813.5282 17541.5628 0.0000 0.0000 34005.1444 -149391.7021 296.9754 -183396.8466 -149289.6481 299.0529 -145.4355 -112.0662 557331.1531 7.1222 7.1192 PRESSURE: 689200 -172.981 -41.5284 46.9312 -41.528 45.0855 -49.5821 46.9305 -49.5824 21.3407 GPRESSURE: 689200 -145.041 -12.8074 16.8477 -45.2708 63.7773 1.06425 87.2519 -63.8261 56.2801 PRESSAVG: 689200 -16.2004 21.3413 64.7792 21.3415 -97.4363 16.9901 64.7793 16.9901 95.7955 GPRESSAVG: 689200 -16.0211 23.3083 63.3694 21.3431 -98.2379 15.5764 64.5455 17.4247 96.7404 TIMING: 689200 CPU: 2041.94, 0.0029761/step Wall: 2041.94, 0.0029761/step, 3.56372 hours remaining, 205.558594 MB of memory in use. ENERGY: 689200 746.9228 2095.2004 1955.9730 108.0807 -206028.4718 17700.1068 0.0000 0.0000 34190.5191 -149231.6690 298.5943 -183422.1881 -149132.6086 298.4774 -35.5184 -8.3279 557743.8440 -5.9471 -5.8396 PRESSURE: 689400 -293.595 6.69981 19.2195 6.69962 -172.085 121.503 19.218 121.502 -346.148 GPRESSURE: 689400 -210.871 3.26609 -24.8059 12.9528 -195.071 121.655 68.0953 75.6082 -316.757 PRESSAVG: 689400 -3.72819 -3.11462 9.37802 -3.1145 -46.0188 40.881 9.37798 40.8811 41.1957 GPRESSAVG: 689400 -3.63795 -3.83386 9.45688 -2.48604 -45.068 41.8793 8.98466 41.7791 40.1379 TIMING: 689400 CPU: 2042.54, 0.00297578/step Wall: 2042.54, 0.00297578/step, 3.56317 hours remaining, 205.558594 MB of memory in use. ENERGY: 689400 705.2000 2089.9433 1975.8232 104.8001 -205599.8135 17414.4289 0.0000 0.0000 34036.1662 -149273.4520 297.2463 -183309.6181 -149179.3809 298.8997 -270.6095 -240.8996 559710.7435 -2.8504 -2.8560 PRESSURE: 689600 15.231 -52.7592 -23.0739 -52.7601 162.202 22.3871 -23.0745 22.3882 173.177 GPRESSURE: 689600 79.1136 16.216 -89.7555 -91.2899 252.334 74.793 32.6793 37.5141 110.503 PRESSAVG: 689600 -9.0513 -35.2583 32.4977 -35.2583 2.92848 45.7484 32.4977 45.7483 -8.76299 GPRESSAVG: 689600 -9.50267 -35.8103 33.3448 -35.2256 3.92471 47.2227 32.4978 42.5428 -9.48604 TIMING: 689600 CPU: 2043.14, 0.00299122/step Wall: 2043.14, 0.00299122/step, 3.58149 hours remaining, 205.558594 MB of memory in use. ENERGY: 689600 743.7199 2031.7183 1963.4727 105.4040 -206370.4814 18229.4376 0.0000 0.0000 34018.3525 -149278.3763 297.0907 -183296.7288 -149196.9071 298.3559 116.8698 147.3169 558534.9534 -4.9619 -5.0213 PRESSURE: 689800 113.45 -104.414 -100.954 -104.413 219.819 -55.372 -100.955 -55.3712 28.7821 GPRESSURE: 689800 153.671 -115.666 -17.4896 -44.1897 280.646 -33.7019 -70.3689 -50.3749 13.9601 PRESSAVG: 689800 26.7628 -29.515 34.1409 -29.5151 9.73062 38.9119 34.1409 38.912 10.2609 GPRESSAVG: 689800 26.535 -28.5234 32.8176 -30.6869 10.4806 37.9323 34.1548 42.1928 9.42423 TIMING: 689800 CPU: 2043.73, 0.00296531/step Wall: 2043.73, 0.00296531/step, 3.5503 hours remaining, 205.558594 MB of memory in use. ENERGY: 689800 747.4422 2127.9132 1936.7178 116.1479 -206702.8091 18144.4417 0.0000 0.0000 34395.6239 -149234.5224 300.3855 -183630.1463 -149146.5390 298.7960 120.6838 149.4256 558650.3044 15.5848 15.4799 PRESSURE: 690000 116.541 249.703 63.1603 249.704 243.916 26.1924 63.1601 26.1931 -98.799 GPRESSURE: 690000 130.842 189.231 -12.0308 235.538 291.31 -19.7167 100.93 10.9742 -60.6764 PRESSAVG: 690000 54.3035 -2.98603 -17.7935 -2.98592 -3.96102 44.4567 -17.7934 44.4568 -30.6809 GPRESSAVG: 690000 54.2224 -3.40821 -18.3234 -1.80487 -5.62409 43.0472 -18.2493 45.7282 -29.0541 TIMING: 690000 CPU: 2044.32, 0.00297114/step Wall: 2044.32, 0.00297114/step, 3.55712 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: 690000 739.2813 2112.5722 1967.4808 99.8983 -206595.1111 18229.3184 0.0000 0.0000 34114.9912 -149331.5690 297.9347 -183446.5602 -149239.9328 298.8643 87.2196 120.4916 557741.3024 6.5538 6.5148 PRESSURE: 690200 -151.421 -38.016 5.17428 -38.016 -180.158 -41.3571 5.17266 -41.3585 -76.7005 GPRESSURE: 690200 -115.623 69.5272 102.782 -69.9784 -170.37 -56.1707 -41.8376 -85.7026 -32.9062 PRESSAVG: 690200 -5.29616 19.9436 -38.5806 19.9436 -2.96009 -2.94948 -38.5807 -2.94946 -33.8968 GPRESSAVG: 690200 -4.67539 21.3893 -38.087 20.5877 -3.20189 -3.81232 -38.1735 -3.3214 -34.542 TIMING: 690200 CPU: 2044.92, 0.00297271/step Wall: 2044.92, 0.00297271/step, 3.55883 hours remaining, 205.558594 MB of memory in use. ENERGY: 690200 729.7817 2075.3239 1987.2649 107.3903 -206003.1620 17654.9496 0.0000 0.0000 34208.3968 -149240.0548 298.7504 -183448.4516 -149135.3662 298.8549 -136.0929 -106.2998 558726.1692 -14.0510 -14.1398 PRESSURE: 690400 -163.663 65.2406 -8.49435 65.2418 -85.824 -31.4577 -8.49375 -31.4586 132.684 GPRESSURE: 690400 -155.683 123.934 -92.8876 -4.96888 -29.9357 3.64291 75.7304 -32.2928 169.112 PRESSAVG: 690400 -29.2197 13.5718 -5.15904 13.5717 46.3826 -65.1721 -5.15907 -65.172 -3.13969 GPRESSAVG: 690400 -28.9099 13.7475 -5.60139 12.291 44.8825 -64.3198 -6.39327 -67.2259 -1.95512 TIMING: 690400 CPU: 2045.51, 0.00297838/step Wall: 2045.51, 0.00297838/step, 3.56545 hours remaining, 205.558594 MB of memory in use. ENERGY: 690400 743.2714 2018.3075 1946.3510 110.1327 -205891.9082 17699.2819 0.0000 0.0000 34227.9518 -149146.6119 298.9212 -183374.5637 -149051.6713 298.7077 -38.9345 -5.5020 558169.5686 4.6744 4.6725 PRESSURE: 690600 118.358 -50.0021 -29.6564 -50.0028 -44.088 8.13802 -29.6575 8.1386 54.2915 GPRESSURE: 690600 148.251 19.9184 -50.7235 -10.6125 -0.816722 -34.789 -8.46221 6.64244 72.9122 PRESSAVG: 690600 -12.8083 26.5129 -6.73491 26.5129 -18.0776 -18.2409 -6.73495 -18.2409 44.6419 GPRESSAVG: 690600 -12.5183 25.9452 -6.44371 26.3805 -16.9133 -19.6842 -5.80905 -17.6592 43.3388 TIMING: 690600 CPU: 2046.1, 0.00294947/step Wall: 2046.1, 0.00294947/step, 3.53068 hours remaining, 205.558594 MB of memory in use. ENERGY: 690600 790.9583 2034.9873 1956.1614 117.5934 -206130.7701 17879.5637 0.0000 0.0000 34361.8377 -148989.6683 300.0905 -183351.5060 -148892.7155 299.3955 42.8539 73.4487 559006.6691 4.5853 4.6357 PRESSURE: 690800 -125.769 -74.3361 -16.9075 -74.3366 17.2232 83.6986 -16.9062 83.6989 108.463 GPRESSURE: 690800 -101.879 -67.1777 -51.9148 -63.3022 82.089 131.887 58.5016 -21.5681 107.343 PRESSAVG: 690800 2.06601 62.5938 -6.65451 62.5938 56.9652 -42.191 -6.65447 -42.1909 -71.8761 GPRESSAVG: 690800 0.992416 59.6122 -6.00308 64.7008 56.5422 -41.0123 -6.31568 -41.2273 -70.5625 TIMING: 690800 CPU: 2046.69, 0.00295363/step Wall: 2046.69, 0.00295363/step, 3.53549 hours remaining, 205.558594 MB of memory in use. ENERGY: 690800 744.6755 2059.7415 1957.1193 109.4734 -206125.7540 17923.4496 0.0000 0.0000 34486.3507 -148844.9441 301.1779 -183331.2948 -148753.0443 300.3771 -0.0276 29.1846 559474.1144 -4.2816 -4.3426 PRESSURE: 691000 -248.429 -129.606 -179.564 -129.606 -329.22 15.6871 -179.564 15.6866 -292.339 GPRESSURE: 691000 -203.635 -144.277 -141.754 -105.293 -281.209 -5.45035 -166.384 -2.92262 -290.69 PRESSAVG: 691000 -41.8458 -60.0795 -33.6867 -60.0795 20.8109 -32.8157 -33.6868 -32.8157 38.1933 GPRESSAVG: 691000 -40.71 -56.4463 -33.8854 -62.8309 20.6215 -32.5412 -31.9291 -34.4128 37.8107 TIMING: 691000 CPU: 2047.29, 0.00296295/step Wall: 2047.29, 0.00296295/step, 3.54649 hours remaining, 205.558594 MB of memory in use. ENERGY: 691000 727.7027 2103.7459 1943.5382 118.2515 -205864.6685 17533.0928 0.0000 0.0000 34429.5669 -149008.7706 300.6820 -183438.3375 -148909.3562 300.0894 -289.9961 -258.5114 560128.8757 5.7194 5.9074 PRESSURE: 691200 309.922 59.4333 58.7044 59.4326 25.6823 187.563 58.7036 187.562 14.0987 GPRESSURE: 691200 371.986 6.21434 142.652 162.24 25.2591 92.5561 16.2452 191.865 39.7452 PRESSAVG: 691200 5.91441 63.1009 -53.3325 63.1008 -33.5804 8.82917 -53.3326 8.82919 31.211 GPRESSAVG: 691200 5.53045 63.2474 -53.349 62.714 -32.4815 9.5873 -53.3659 10.3662 30.4109 TIMING: 691200 CPU: 2047.88, 0.00295665/step Wall: 2047.88, 0.00295665/step, 3.53878 hours remaining, 205.558594 MB of memory in use. ENERGY: 691200 748.3983 2120.2787 1948.8667 116.7442 -206387.5153 18191.4389 0.0000 0.0000 34135.8107 -149125.9778 298.1165 -183261.7885 -149033.0246 299.2267 116.5675 145.6634 558702.1090 1.1817 1.1533 PRESSURE: 691400 221.199 -37.8928 -92.2363 -37.8922 -106.883 -94.6135 -92.2363 -94.6125 -67.9823 GPRESSURE: 691400 224.554 30.0658 -8.27957 -32.4156 -101.805 -143.019 -43.2553 -62.6162 20.4634 PRESSAVG: 691400 -1.77614 -22.3862 0.760089 -22.3861 -33.5571 23.053 0.760048 23.053 28.3176 GPRESSAVG: 691400 -2.44737 -26.3462 -0.260708 -19.7178 -34.9338 23.3423 1.12574 21.2604 29.8909 TIMING: 691400 CPU: 2048.47, 0.0029507/step Wall: 2048.47, 0.0029507/step, 3.53149 hours remaining, 205.558594 MB of memory in use. ENERGY: 691400 765.5146 2105.1968 1962.1262 117.6730 -206348.8146 17945.3406 0.0000 0.0000 34242.7163 -149210.2471 299.0502 -183452.9634 -149114.9024 299.0952 15.4446 47.7373 558623.7853 -2.3385 -2.4968 PRESSURE: 691600 -167.743 -54.9249 79.7781 -54.9241 -165.617 47.41 79.7776 47.4108 -274.45 GPRESSURE: 691600 -181.018 -23.0665 38.7727 -68.9912 -97.3949 71.685 126.537 3.31396 -241.239 PRESSAVG: 691600 -7.58353 -42.2976 29.7297 -42.2977 0.589843 22.5064 29.7297 22.5064 2.85967 GPRESSAVG: 691600 -7.59115 -40.2999 32.2562 -43.1948 1.81194 21.2344 27.1912 25.3332 2.32905 TIMING: 691600 CPU: 2049.06, 0.00296231/step Wall: 2049.06, 0.00296231/step, 3.54523 hours remaining, 205.558594 MB of memory in use. ENERGY: 691600 764.3091 2099.8953 1931.8165 112.0310 -206269.8700 17757.0338 0.0000 0.0000 34149.4107 -149455.3735 298.2353 -183604.7842 -149362.4696 298.5679 -202.6034 -173.2175 558459.3415 -1.3780 -1.1501 PRESSURE: 691800 -192.173 -4.36362 -107.928 -4.3635 -11.8096 134.008 -107.93 134.01 -38.6128 GPRESSURE: 691800 -141.374 0.652559 -90.7841 -63.7525 13.4164 72.1281 -123.042 135.653 -21.455 PRESSAVG: 691800 -9.51649 -5.6383 -29.8817 -5.63825 -7.69409 40.48 -29.8817 40.4799 24.5985 GPRESSAVG: 691800 -9.34084 -6.21529 -33.3052 -6.69366 -7.2694 40.3188 -27.8008 39.2291 24.137 TIMING: 691800 CPU: 2049.66, 0.00300901/step Wall: 2049.66, 0.00300901/step, 3.60095 hours remaining, 205.558594 MB of memory in use. ENERGY: 691800 787.8556 2078.8370 1966.9787 120.6222 -206887.3479 17974.6694 0.0000 0.0000 34482.2426 -149476.1425 301.1420 -183958.3851 -149385.3160 299.1601 -80.8651 -49.8042 557015.2287 2.4626 2.5089 PRESSURE: 692000 -99.0224 101.174 18.5797 101.175 -165.193 71.6614 18.5788 71.6616 -282.992 GPRESSURE: 692000 -73.809 234.373 70.9988 87.426 -164.957 110.229 76.7134 -17.2756 -212.265 PRESSAVG: 692000 -25.1813 -14.2781 -57.7515 -14.2782 52.9365 18.1398 -57.7516 18.1398 -35.6581 GPRESSAVG: 692000 -23.4816 -11.7908 -56.3432 -13.3309 51.6764 18.2593 -57.2518 19.2187 -35.7981 TIMING: 692000 CPU: 2050.26, 0.00297701/step Wall: 2050.26, 0.00297701/step, 3.56249 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: 692000 756.8135 2058.4782 1957.0849 115.1348 -205924.4273 17545.9899 0.0000 0.0000 34289.3284 -149201.5976 299.4572 -183490.9260 -149094.4242 298.7488 -182.4027 -150.3439 559578.9126 -2.6343 -2.5344 PRESSURE: 692200 -101.942 -72.2701 -71.5781 -72.2698 -161.558 -26.5459 -71.5777 -26.5489 -115.276 GPRESSURE: 692200 -101.722 24.8133 -3.0049 -98.8456 -98.9284 -34.0241 -76.8252 -32.087 -84.6828 PRESSAVG: 692200 47.014 42.5762 12.7372 42.5762 -5.1436 23.1575 12.7372 23.1575 -60.3859 GPRESSAVG: 692200 47.4378 43.4769 13.1052 41.3857 -5.34306 23.5057 11.0181 21.7188 -60.9916 TIMING: 692200 CPU: 2050.85, 0.00296764/step Wall: 2050.85, 0.00296764/step, 3.55111 hours remaining, 205.558594 MB of memory in use. ENERGY: 692200 767.9454 2094.4015 1960.1218 119.8384 -205963.0366 17675.3055 0.0000 0.0000 34265.5599 -149079.8642 299.2497 -183345.4240 -148982.7804 299.2556 -126.2583 -95.1110 557499.1393 -6.1718 -6.2990 LDB: ============= START OF LOAD BALANCING ============== 2054.28 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2054.28 LDB: =============== DONE WITH MIGRATION ================ 2054.28 LDB: ============= START OF LOAD BALANCING ============== 2054.58 LDB: Largest compute 4820 load 0.032822 is 27.9% of average load 0.117814 LDB: Average compute 0.001730 is 1.5% of average load 0.117814 LDB: TIME 2054.58 LOAD: AVG 0.117814 MAX 0.195703 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 2054.58 LOAD: AVG 0.117814 MAX 0.195703 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: TIME 2054.58 LOAD: AVG 0.117814 MAX 0.195703 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2054.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2054.58 PRESSURE: 692400 189.135 -1.81343 -43.8744 -1.81303 -7.39042 -104.832 -43.8736 -104.83 -64.9387 GPRESSURE: 692400 208.215 5.74572 -92.0694 -20.0644 25.4139 -33.1977 -5.27743 -120.227 -32.3644 PRESSAVG: 692400 58.6678 67.5217 -33.9473 67.5217 13.0742 6.79122 -33.9473 6.79133 -86.3598 GPRESSAVG: 692400 56.951 64.8782 -36.2785 67.6721 13.4814 7.60125 -31.9976 5.294 -85.0931 TIMING: 692400 CPU: 2051.45, 0.00301284/step Wall: 2051.45, 0.00301284/step, 3.60503 hours remaining, 205.425781 MB of memory in use. ENERGY: 692400 709.8902 2124.8842 1980.9802 115.3143 -205944.1383 17696.0322 0.0000 0.0000 34257.1386 -149059.8985 299.1761 -183317.0372 -148960.0734 299.4991 38.9354 67.0880 556095.7362 -4.8726 -4.8869 PRESSURE: 692600 112.902 -10.5784 -49.5263 -10.5792 61.1989 -153.352 -49.5252 -153.35 134.179 GPRESSURE: 692600 98.8731 29.4631 -9.19896 29.0994 145.668 -45.4489 -48.6517 -206.521 158.406 PRESSAVG: 692600 2.34437 -27.3866 9.70684 -27.3866 16.7797 -26.6786 9.70675 -26.6787 17.9954 GPRESSAVG: 692600 1.68531 -26.3517 12.2718 -26.1567 16.6533 -28.7881 7.49011 -21.8462 18.4878 TIMING: 692600 CPU: 2052.05, 0.00296891/step Wall: 2052.05, 0.00296891/step, 3.5523 hours remaining, 205.625000 MB of memory in use. ENERGY: 692600 729.3993 2115.5391 1957.4666 118.2060 -206010.5584 17959.7302 0.0000 0.0000 33914.2949 -149215.9223 296.1820 -183130.2172 -149119.6142 298.7258 102.7600 134.3156 558465.6586 12.3731 12.2755 PRESSURE: 692800 266.191 -41.4138 -84.8502 -41.4126 10.1073 -142.975 -84.8503 -142.974 143.393 GPRESSURE: 692800 292.577 -64.6252 -197.039 -65.783 107.462 -200.846 -92.3186 -112.622 119.638 PRESSAVG: 692800 107.402 58.8492 -41.3081 58.8492 -83.7493 -12.0967 -41.3081 -12.0968 -5.48947 GPRESSAVG: 692800 108.78 57.5814 -43.8913 56.1321 -84.1885 -11.6013 -41.9029 -13.2661 -6.31318 TIMING: 692800 CPU: 2052.64, 0.00298283/step Wall: 2052.64, 0.00298283/step, 3.56879 hours remaining, 205.625000 MB of memory in use. ENERGY: 692800 725.1756 2131.6667 1982.6813 107.5738 -206546.9243 18207.0260 0.0000 0.0000 34331.5934 -149061.2074 299.8263 -183392.8009 -148971.6891 299.0187 139.8971 173.2257 558492.9443 6.0544 6.0927 PRESSURE: 693000 -127.706 -144.211 131.184 -144.21 165.113 -105.742 131.184 -105.74 73.9745 GPRESSURE: 693000 -35.8967 -200.261 129.316 -98.9021 156.271 -127.328 90.4075 -77.0151 86.869 PRESSAVG: 693000 -31.2006 25.5505 -34.841 25.5505 2.21357 6.39879 -34.841 6.39888 12.6134 GPRESSAVG: 693000 -33.6734 24.2237 -33.7073 27.346 4.20032 5.8784 -33.2917 5.77982 13.0314 TIMING: 693000 CPU: 2053.25, 0.00300218/step Wall: 2053.25, 0.00300218/step, 3.59178 hours remaining, 205.625000 MB of memory in use. ENERGY: 693000 791.2573 2114.5657 1955.6574 105.1953 -206555.1816 18041.8641 0.0000 0.0000 34577.0654 -148969.5765 301.9701 -183546.6419 -148869.9169 299.5079 37.1270 69.0812 558500.3478 -5.4579 -5.4806 PRESSURE: 693200 -104.704 125.673 4.91707 125.671 -48.1254 -81.0213 4.91695 -81.0217 75.3471 GPRESSURE: 693200 -41.9495 149.233 -27.9987 104.903 -65.4808 -65.0543 79.8875 -135.65 144.343 PRESSAVG: 693200 -17.2951 23.17 18.4908 23.17 -3.1415 10.9422 18.4909 10.9421 15.6207 GPRESSAVG: 693200 -15.0401 24.6055 18.8105 23.925 -4.39869 13.2021 18.4601 10.7768 14.6847 TIMING: 693200 CPU: 2053.84, 0.00299046/step Wall: 2053.84, 0.00299046/step, 3.57758 hours remaining, 205.625000 MB of memory in use. ENERGY: 693200 747.8490 2141.8352 1975.9510 108.0937 -205975.6494 17733.0504 0.0000 0.0000 34266.8615 -149002.0086 299.2610 -183268.8701 -148909.5324 299.7699 -25.8273 12.3044 558887.3907 -1.6053 -1.5847 PRESSURE: 693400 -48.3002 17.3717 223.651 17.3726 41.8729 29.821 223.651 29.8189 -110.816 GPRESSURE: 693400 9.46747 -100.522 179.759 30.7074 47.7908 -36.3386 185.612 91.5758 -77.2404 PRESSAVG: 693400 15.8894 -3.793 41.5405 -3.79295 7.8936 -12.1023 41.5405 -12.1021 -2.69803 GPRESSAVG: 693400 15.0401 -4.88776 39.3417 -3.72331 6.79918 -14.4416 43.4027 -12.2495 -1.37631 TIMING: 693400 CPU: 2054.44, 0.00296506/step Wall: 2054.44, 0.00296506/step, 3.54704 hours remaining, 205.625000 MB of memory in use. ENERGY: 693400 732.8479 2092.4945 1972.4300 117.7257 -206184.3760 17778.7417 0.0000 0.0000 34434.2968 -149055.8395 300.7233 -183490.1363 -148964.3584 299.6464 -39.0812 -6.6607 557599.2431 7.0283 6.8210 PRESSURE: 693600 -23.6064 -70.2451 101.448 -70.246 53.1637 294.467 101.449 294.468 -73.3393 GPRESSURE: 693600 34.4981 -17.6127 134.471 46.4503 39.7821 306.177 127.939 224.171 -32.7831 PRESSAVG: 693600 14.8951 10.9973 18.652 10.9972 44.6042 42.8254 18.6519 42.8254 -37.4067 GPRESSAVG: 693600 14.1958 12.7278 21.6802 9.25201 45.4724 43.8991 14.9967 42.8029 -37.3259 TIMING: 693600 CPU: 2055.03, 0.00298347/step Wall: 2055.03, 0.00298347/step, 3.56889 hours remaining, 205.625000 MB of memory in use. ENERGY: 693600 728.9482 2101.2438 1955.9866 116.6033 -205697.7041 17743.5535 0.0000 0.0000 34161.5477 -148889.8211 298.3413 -183051.3688 -148786.2155 300.2547 -14.5940 13.8324 559118.0743 7.3642 7.4475 PRESSURE: 693800 160.249 -127.124 -102.542 -127.124 58.1814 -139.364 -102.542 -139.364 135.007 GPRESSURE: 693800 186.475 -124.886 -96.7303 -125.4 85.5261 -60.3946 -74.9849 -195.042 176.986 PRESSAVG: 693800 17.5977 -44.4311 -9.03691 -44.4312 16.3224 11.7258 -9.03698 11.7258 -1.00762 GPRESSAVG: 693800 18.2417 -45.4633 -9.59958 -42.6711 16.3178 12.0795 -6.91077 11.4023 -2.11331 TIMING: 693800 CPU: 2055.62, 0.00295804/step Wall: 2055.62, 0.00295804/step, 3.53831 hours remaining, 205.625000 MB of memory in use. ENERGY: 693800 722.9879 2081.9758 1936.9304 123.2050 -206327.1380 18083.7510 0.0000 0.0000 34505.5973 -148872.6906 301.3460 -183378.2879 -148784.7067 300.1252 117.8125 149.6622 558716.5651 10.9708 10.8154 PRESSURE: 694000 38.8756 -18.0164 -102.221 -18.0164 -31.2247 -13.8476 -102.221 -13.8489 -80.3658 GPRESSURE: 694000 34.3602 16.7069 -61.946 -26.0848 -39.1582 63.8687 -116.892 -95.9642 6.8866 PRESSAVG: 694000 -31.4189 6.25022 -47.357 6.25027 4.59585 19.7414 -47.357 19.7413 11.8013 GPRESSAVG: 694000 -31.3024 4.66179 -47.4967 6.30069 3.425 19.448 -47.2581 21.1149 11.9099 TIMING: 694000 CPU: 2056.21, 0.00295169/step Wall: 2056.21, 0.00295169/step, 3.53055 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: 694000 764.7066 2080.7351 1933.6152 109.4508 -205881.3159 17747.3908 0.0000 0.0000 34222.9505 -149022.4668 298.8775 -183245.4174 -148924.5801 300.2502 -24.2383 0.6962 557499.0915 -5.0072 -5.3225 PRESSURE: 694200 60.1824 74.7383 40.8583 74.7374 -64.6892 8.31653 40.8576 8.31818 -55.0185 GPRESSURE: 694200 59.1261 77.7471 5.81512 29.0211 -11.1949 7.23033 44.342 82.3068 -7.38444 PRESSAVG: 694200 48.1508 -13.4015 -20.7308 -13.4014 -9.49116 17.8534 -20.7309 17.8533 -64.0143 GPRESSAVG: 694200 48.5149 -9.8912 -21.1273 -15.0934 -9.69842 17.9527 -22.1077 15.5983 -64.1602 TIMING: 694200 CPU: 2056.81, 0.00296436/step Wall: 2056.81, 0.00296436/step, 3.54554 hours remaining, 205.625000 MB of memory in use. ENERGY: 694200 725.6785 2076.5489 1977.3204 117.6485 -205661.2801 17805.2883 0.0000 0.0000 34113.1555 -148845.6400 297.9187 -182958.7955 -148749.3110 299.9892 -19.8417 13.5156 559069.9164 -8.4515 -8.4479 PRESSURE: 694400 -158.37 -43.5009 -175.578 -43.5008 -170.771 51.6729 -175.578 51.671 -8.12221 GPRESSURE: 694400 -171.592 -86.1654 -166.883 5.51196 -30.7781 25.1943 -227.93 60.5145 -41.3729 PRESSAVG: 694400 81.16 -46.1935 -41.281 -46.1936 -12.1008 -52.3277 -41.281 -52.3278 -14.9162 GPRESSAVG: 694400 80.6066 -46.7109 -42.4287 -45.0908 -10.2366 -54.7711 -41.0288 -49.1886 -16.3153 TIMING: 694400 CPU: 2057.4, 0.00297117/step Wall: 2057.4, 0.00297117/step, 3.55352 hours remaining, 205.625000 MB of memory in use. ENERGY: 694400 728.4246 2073.7650 1952.9673 108.5961 -205732.2837 17799.6164 0.0000 0.0000 34201.5977 -148867.3166 298.6911 -183068.9143 -148771.5874 299.4161 -112.4210 -81.2475 560463.8763 18.0477 18.0182 PRESSURE: 694600 104.423 -50.1785 8.35258 -50.1793 47.5802 -19.5078 8.35333 -19.5056 -157.458 GPRESSURE: 694600 121.009 13.6045 42.0822 -129.58 78.1877 -60.9537 11.2308 -40.6831 -118.31 PRESSAVG: 694600 11.1925 -8.19752 -26.3354 -8.1976 -32.0149 -20.1337 -26.3355 -20.1337 -15.9344 GPRESSAVG: 694600 12.0011 -8.43627 -24.4638 -8.74241 -33.133 -16.2957 -26.8693 -23.2611 -15.1285 TIMING: 694600 CPU: 2058, 0.00299375/step Wall: 2058, 0.00299375/step, 3.58036 hours remaining, 205.625000 MB of memory in use. ENERGY: 694600 713.4162 2105.2824 1976.1793 109.0481 -205667.1594 17668.5883 0.0000 0.0000 34343.1818 -148751.4632 299.9275 -183094.6450 -148650.0220 299.9922 -1.8183 26.9622 559256.7173 -12.2523 -12.0868 PRESSURE: 694800 -116.035 -5.02476 -12.5061 -5.02473 189.209 -78.8884 -12.5061 -78.888 147.33 GPRESSURE: 694800 -94.2158 12.6396 3.29468 6.793 210.286 -127.256 -42.7011 -100.784 203.963 PRESSAVG: 694800 33.5079 -39.2824 -11.0395 -39.2825 58.3672 6.41149 -11.0394 6.41152 -46.9502 GPRESSAVG: 694800 32.0513 -40.4332 -12.2335 -37.4687 58.3509 3.53244 -9.85974 10.4124 -45.7931 TIMING: 694800 CPU: 2058.6, 0.00298387/step Wall: 2058.6, 0.00298386/step, 3.56837 hours remaining, 205.625000 MB of memory in use. ENERGY: 694800 735.5740 2099.3745 1973.3553 128.0338 -206010.1316 18035.1264 0.0000 0.0000 34424.2355 -148614.4320 300.6354 -183038.6675 -148521.4842 300.8038 73.5014 106.6778 558799.9890 14.9750 14.8697 PRESSURE: 695000 -334.203 189.784 102.702 189.786 89.9739 205.446 102.703 205.446 161.491 GPRESSURE: 695000 -223.235 118.688 55.0609 135.936 86.1851 228.563 92.8185 188.206 146.056 PRESSAVG: 695000 -82.4207 -2.31892 -0.715219 -2.31894 92.3031 12.396 -0.715216 12.396 20.8957 GPRESSAVG: 695000 -80.349 -1.51842 -0.270128 -3.67449 91.9466 13.2733 -1.93625 8.45607 18.6515 TIMING: 695000 CPU: 2059.19, 0.00298747/step Wall: 2059.19, 0.00298747/step, 3.57251 hours remaining, 205.625000 MB of memory in use. ENERGY: 695000 738.3876 2043.2624 1955.4668 128.4341 -206176.3193 17781.1612 0.0000 0.0000 34785.3802 -148744.2268 303.7894 -183529.6070 -148653.4502 300.8012 -27.5794 3.0019 557571.5189 10.2594 10.0830 PRESSURE: 695200 -382.785 112.497 -60.7251 112.498 -225.638 -94.1206 -60.7243 -94.1192 -140.773 GPRESSURE: 695200 -317.382 96.4933 -52.6644 23.2303 -213.234 -79.1987 -127.466 -80.038 -132.699 PRESSAVG: 695200 -56.4601 18.347 22.2469 18.347 -6.07449 -19.675 22.2469 -19.675 34.0961 GPRESSAVG: 695200 -57.0519 18.336 23.5957 19.3189 -6.26014 -21.2271 21.3111 -16.7114 34.7171 TIMING: 695200 CPU: 2059.79, 0.00297281/step Wall: 2059.79, 0.00297281/step, 3.55482 hours remaining, 205.625000 MB of memory in use. ENERGY: 695200 753.8073 2058.5222 1958.9777 114.8230 -205862.9954 17477.1789 0.0000 0.0000 34598.4443 -148901.2420 302.1568 -183499.6863 -148803.1491 300.6267 -249.7319 -221.1050 559584.1435 -9.4795 -9.5316 PRESSURE: 695400 180.837 -69.979 61.9621 -69.9796 39.9874 -76.5957 61.9635 -76.5961 134.298 GPRESSURE: 695400 203.218 -139.935 65.8829 -56.8323 116.695 -132.367 7.79226 -90.7954 136.023 PRESSAVG: 695400 -45.1928 -27.9168 35.3066 -27.9169 84.1528 -4.8003 35.3065 -4.80025 0.768359 GPRESSAVG: 695400 -43.4685 -29.2829 34.6748 -29.151 84.5569 -2.86279 35.7684 -5.92383 -1.6481 TIMING: 695400 CPU: 2060.38, 0.00296151/step Wall: 2060.38, 0.00296151/step, 3.54114 hours remaining, 205.625000 MB of memory in use. ENERGY: 695400 763.9703 2043.4158 1995.8970 118.2160 -206436.9912 18037.1960 0.0000 0.0000 34455.7102 -149022.5858 300.9103 -183478.2960 -148924.0655 300.0327 118.3742 151.9786 557438.3621 13.2428 13.1468 PRESSURE: 695600 -400.225 -5.69694 -197.859 -5.69556 -337.121 -47.4105 -197.86 -47.4117 -218.07 GPRESSURE: 695600 -386.657 60.2346 -223.718 -43.9756 -252.826 -83.2439 -135.026 -4.53675 -214.865 PRESSAVG: 695600 4.59343 3.14491 19.9503 3.1449 26.6449 -29.6644 19.9502 -29.6643 -43.7319 GPRESSAVG: 695600 2.85019 4.54959 20.699 3.41017 26.1765 -29.9517 20.4664 -30.0762 -41.2296 TIMING: 695600 CPU: 2060.98, 0.00296828/step Wall: 2060.98, 0.00296828/step, 3.54908 hours remaining, 205.625000 MB of memory in use. ENERGY: 695600 808.0450 2035.1067 1956.5391 125.9763 -205947.2652 17398.4716 0.0000 0.0000 34680.5679 -148942.5586 302.8740 -183623.1265 -148846.1927 300.2329 -318.4719 -284.7828 557882.9545 -4.1645 -4.0676 PRESSURE: 695800 201.485 195.818 19.7257 195.818 -241.404 -73.697 19.7259 -73.6947 -139.575 GPRESSURE: 695800 238.037 182.624 74.7721 202.582 -186.669 -142.793 -5.02165 99.9084 -137.525 PRESSAVG: 695800 -1.24873 40.6183 21.4777 40.6183 63.3547 16.902 21.4778 16.902 -51.8985 GPRESSAVG: 695800 -0.88472 38.719 18.6453 41.5934 63.5992 13.8768 22.6949 18.2035 -52.0261 TIMING: 695800 CPU: 2061.56, 0.00294767/step Wall: 2061.56, 0.00294767/step, 3.52427 hours remaining, 205.625000 MB of memory in use. ENERGY: 695800 784.0403 2115.6110 1940.8582 127.8613 -206046.3065 17702.3706 0.0000 0.0000 34535.1287 -148840.4364 301.6039 -183375.5651 -148749.1253 299.9491 -59.8314 -28.7191 556591.7876 3.4025 3.5628 PRESSURE: 696000 -234.973 -18.2777 129.138 -18.2776 -277.336 -73.5233 129.137 -73.5223 133.342 GPRESSURE: 696000 -202.739 6.04373 123.027 16.8306 -216.197 -109.49 125.455 -44.5639 128.099 PRESSAVG: 696000 24.5382 63.8045 12.9533 63.8045 -45.0696 -3.85501 12.9534 -3.85492 -18.8717 GPRESSAVG: 696000 24.1053 64.8664 13.6978 64.072 -43.8963 -0.241639 11.6985 -5.48069 -19.2584 TIMING: 696000 CPU: 2062.15, 0.00294891/step Wall: 2062.15, 0.00294891/step, 3.52559 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: 696000 770.5688 2130.6616 1952.8677 110.4617 -206152.2880 17614.3183 0.0000 0.0000 34605.7008 -148967.7091 302.2202 -183573.4099 -148869.9080 300.6148 -126.3223 -96.9457 555623.8452 -13.1344 -13.0165 PRESSURE: 696200 -70.3998 -18.2388 27.7651 -18.2383 -146.858 -19.3721 27.7663 -19.3733 -90.4429 GPRESSURE: 696200 -86.4664 14.2631 106.501 -72.9623 -111.554 -45.5678 18.1475 8.98346 -17.9389 PRESSAVG: 696200 -49.8687 27.9258 36.4123 27.9258 -0.0877839 -58.1808 36.4123 -58.1809 19.2853 GPRESSAVG: 696200 -49.7523 27.3336 37.7942 27.8725 -0.681032 -57.3932 35.1316 -59.096 19.1782 TIMING: 696200 CPU: 2062.75, 0.00295984/step Wall: 2062.75, 0.00295984/step, 3.53849 hours remaining, 205.625000 MB of memory in use. ENERGY: 696200 760.4097 2138.5480 1930.7153 104.8881 -206096.2934 17703.9093 0.0000 0.0000 34623.4543 -148834.3688 302.3752 -183457.8231 -148728.2174 300.9473 -102.5668 -71.9866 557439.0472 -10.2237 -10.4184 LDB: ============= START OF LOAD BALANCING ============== 2066.17 LDB: ============== END OF LOAD BALANCING =============== 2066.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2066.17 LDB: ============= START OF LOAD BALANCING ============== 2066.47 LDB: Largest compute 4820 load 0.032817 is 27.9% of average load 0.117726 LDB: Average compute 0.001728 is 1.5% of average load 0.117726 LDB: TIME 2066.47 LOAD: AVG 0.117726 MAX 0.196607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 2066.48 LOAD: AVG 0.117726 MAX 0.196607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.43 MB LDB: TIME 2066.48 LOAD: AVG 0.117726 MAX 0.196607 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2066.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2066.48 PRESSURE: 696400 206.15 21.8249 102.689 21.8255 248.21 -38.5535 102.689 -38.5533 161.996 GPRESSURE: 696400 274.937 30.6479 54.5597 -14.4306 252.347 -123.21 65.9649 -25.8216 182.987 PRESSAVG: 696400 4.46875 -4.47424 -9.24762 -4.47421 35.3075 -22.7022 -9.24759 -22.7022 -26.5589 GPRESSAVG: 696400 3.26059 -2.41313 -9.95637 -5.86868 35.4416 -25.8397 -7.97964 -21.6489 -25.7731 TIMING: 696400 CPU: 2063.35, 0.00302728/step Wall: 2063.35, 0.00302728/step, 3.61895 hours remaining, 206.449219 MB of memory in use. ENERGY: 696400 714.1083 2112.8162 1961.6601 116.2198 -206105.8759 17937.1506 0.0000 0.0000 34428.6906 -148835.2304 300.6743 -183263.9210 -148734.1694 300.6083 205.4520 236.7571 557473.9694 4.4058 4.3097 PRESSURE: 696600 -63.6297 58.7473 41.3171 58.7477 -335.962 -93.1153 41.3177 -93.1144 1.24745 GPRESSURE: 696600 22.8648 75.6247 52.2297 137.547 -327.134 -90.7978 -115.808 -53.0032 0.933971 PRESSAVG: 696600 -0.688869 -4.99541 -27.3926 -4.99537 -30.4112 34.8589 -27.3926 34.859 23.1926 GPRESSAVG: 696600 -0.209805 -5.30386 -25.2612 -3.43885 -30.4088 35.299 -27.3269 34.6387 23.3575 TIMING: 696600 CPU: 2063.95, 0.00296846/step Wall: 2063.95, 0.00296846/step, 3.54846 hours remaining, 206.652344 MB of memory in use. ENERGY: 696600 745.1341 2092.0402 1967.8848 111.9360 -205685.9452 17599.4270 0.0000 0.0000 34234.8194 -148934.7037 298.9812 -183169.5231 -148837.4442 299.4744 -132.7813 -101.1117 558850.1067 -2.6358 -2.4204 PRESSURE: 696800 -37.4197 -9.87995 -24.4238 -9.88133 -254.881 -157.161 -24.4241 -157.162 -26.9966 GPRESSURE: 696800 -6.58988 -33.3785 -5.46621 -35.7061 -200.444 -108.3 -34.429 -140.157 -4.65326 PRESSAVG: 696800 35.3636 20.4146 -15.5996 20.4146 -9.59054 -40.8379 -15.5996 -40.8379 -14.4988 GPRESSAVG: 696800 36.5918 20.5333 -18.6247 18.2108 -10.499 -38.9064 -15.6525 -40.3303 -14.6872 TIMING: 696800 CPU: 2064.54, 0.00295174/step Wall: 2064.54, 0.00295174/step, 3.52831 hours remaining, 206.652344 MB of memory in use. ENERGY: 696800 744.2117 2097.6492 1991.0059 114.9349 -205612.8806 17517.9985 0.0000 0.0000 34091.0790 -149056.0014 297.7259 -183147.0804 -148962.7502 299.3352 -106.4323 -70.5625 557727.0260 3.7581 3.8019 PRESSURE: 697000 -25.5667 -84.5644 -48.8485 -84.5652 -205.599 29.4572 -48.8488 29.4583 -155.208 GPRESSURE: 697000 97.1118 -10.6409 -25.1835 -132.869 -203.886 -22.5876 -47.7581 56.6792 -172.564 PRESSAVG: 697000 -61.4849 -76.671 5.07594 -76.6711 -42.3985 -12.8579 5.07585 -12.8579 37.2718 GPRESSAVG: 697000 -62.2136 -77.2613 6.84166 -75.0144 -41.1916 -13.631 5.3128 -12.2766 37.4004 TIMING: 697000 CPU: 2065.13, 0.0029525/step Wall: 2065.13, 0.0029525/step, 3.52906 hours remaining, 206.652344 MB of memory in use. ENERGY: 697000 739.0050 2081.8149 1947.5127 120.9207 -205918.7012 17688.3299 0.0000 0.0000 34282.0472 -149059.0709 299.3936 -183341.1181 -148956.3215 299.0998 -128.7912 -93.1128 559063.5820 -22.2039 -22.0016 PRESSURE: 697200 -69.2254 -51.3666 46.3123 -51.3669 -298.321 16.6426 46.3125 16.6434 -70.2845 GPRESSURE: 697200 -47.9335 11.051 100.798 -70.929 -217.084 48.0831 -71.6867 49.6148 -75.1636 PRESSAVG: 697200 -28.8182 -31.7521 -15.2304 -31.7521 14.2811 17.2251 -15.2303 17.2251 11.8847 GPRESSAVG: 697200 -28.6624 -29.0358 -17.3564 -32.5019 14.588 16.8691 -16.7576 15.4347 11.8231 TIMING: 697200 CPU: 2065.71, 0.00292525/step Wall: 2065.71, 0.00292525/step, 3.49632 hours remaining, 206.652344 MB of memory in use. ENERGY: 697200 729.6642 2087.3068 1946.9898 134.5301 -205912.1724 17472.9526 0.0000 0.0000 34331.2878 -149209.4411 299.8237 -183540.7289 -149114.3238 299.4901 -145.9436 -113.3938 556394.3717 -0.8842 -0.7504 PRESSURE: 697400 -230.123 125.36 -217.579 125.359 -120.093 94.9146 -217.58 94.9138 -80.8831 GPRESSURE: 697400 -191.75 72.606 -212.393 158.067 -147.758 148.977 -297.83 -10.6149 -2.23717 PRESSAVG: 697400 24.5628 -47.2288 14.484 -47.2288 23.4372 28.6468 14.4839 28.6468 -36.2667 GPRESSAVG: 697400 25.0111 -50.3421 14.3405 -45.5494 22.185 29.3661 16.4506 29.4478 -35.7978 TIMING: 697400 CPU: 2066.3, 0.00293024/step Wall: 2066.3, 0.00293024/step, 3.50212 hours remaining, 206.652344 MB of memory in use. ENERGY: 697400 757.2360 2071.8731 1930.1665 117.3152 -206108.3740 17754.1403 0.0000 0.0000 34258.5566 -149219.0864 299.1885 -183477.6429 -149125.0644 299.2548 -143.6998 -113.9148 558169.6086 3.9111 3.7994 PRESSURE: 697600 23.6959 40.7598 40.0949 40.76 -64.3945 51.4522 40.0945 51.4521 -14.8222 GPRESSURE: 697600 27.7901 10.1037 48.9093 112.912 5.38639 78.837 41.7463 11.5119 -2.5917 PRESSAVG: 697600 -38.5978 -22.2771 -7.97112 -22.2771 32.0192 6.31608 -7.97107 6.31607 11.9284 GPRESSAVG: 697600 -38.2407 -22.066 -7.67627 -22.6866 33.3801 4.47865 -6.63097 5.44426 10.87 TIMING: 697600 CPU: 2066.88, 0.00293232/step Wall: 2066.88, 0.00293232/step, 3.50445 hours remaining, 206.652344 MB of memory in use. ENERGY: 697600 738.3096 2167.6559 1919.8378 115.0410 -206168.7493 17773.9025 0.0000 0.0000 34350.3568 -149103.6456 299.9902 -183454.0024 -149009.2241 299.2996 -18.5069 10.1949 557033.6747 1.7832 2.0032 PRESSURE: 697800 48.8985 -132.293 -61.6432 -132.293 22.8715 26.5131 -61.6435 26.5108 45.93 GPRESSURE: 697800 89.2498 -169.975 -107.578 -78.0874 29.2868 49.9677 -59.1947 6.40424 84.7023 PRESSAVG: 697800 40.1028 -35.1237 26.7715 -35.1236 -33.3149 1.67486 26.7715 1.67476 -7.61957 GPRESSAVG: 697800 40.3543 -34.3256 27.1026 -35.4826 -32.3437 3.32491 26.9953 3.58182 -8.75808 TIMING: 697800 CPU: 2067.47, 0.00292346/step Wall: 2067.47, 0.00292346/step, 3.4937 hours remaining, 206.652344 MB of memory in use. ENERGY: 697800 740.1425 2134.8241 1913.8343 115.9777 -206152.6834 17909.9263 0.0000 0.0000 34263.0729 -149074.9056 299.2279 -183337.9785 -148974.4761 299.4194 39.2333 67.7463 558467.2006 -0.2772 -0.2491 PRESSURE: 698000 -353.515 93.6876 76.2035 93.6872 -46.1954 -24.0541 76.2028 -24.0541 -45.3807 GPRESSURE: 698000 -266.438 16.8535 20.1152 50.1713 -56.0979 -52.4764 65.7463 9.17783 -26.7136 PRESSAVG: 698000 -4.5607 8.81478 9.69123 8.81486 -20.6341 25.1263 9.6912 25.1265 26.7277 GPRESSAVG: 698000 -5.48946 9.03152 11.1027 7.32396 -20.9271 26.3662 7.75448 22.9787 27.7946 TIMING: 698000 CPU: 2068.05, 0.00292551/step Wall: 2068.05, 0.00292551/step, 3.49598 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: 698000 756.1090 2095.1789 1961.7336 112.2437 -205718.8907 17548.9972 0.0000 0.0000 34315.0730 -148929.5553 299.6821 -183244.6283 -148830.6744 299.8283 -148.3638 -116.4165 557790.7435 0.5110 0.4594 PRESSURE: 698200 -189.764 106.744 98.2814 106.744 130.361 -32.5132 98.2813 -32.5126 61.9536 GPRESSURE: 698200 -198.935 108.185 25.1184 78.2969 135.024 55.1334 56.7194 -78.2682 152.678 PRESSAVG: 698200 -27.5607 24.8499 54.827 24.8499 29.7923 -7.87072 54.827 -7.87074 69.6023 GPRESSAVG: 698200 -26.242 25.6396 55.1026 24.2893 27.99 -8.72979 54.9095 -7.73892 70.1281 TIMING: 698200 CPU: 2068.64, 0.0029475/step Wall: 2068.64, 0.0029475/step, 3.5221 hours remaining, 206.652344 MB of memory in use. ENERGY: 698200 761.6712 2081.8559 1953.5144 109.2584 -205769.0186 17732.4024 0.0000 0.0000 34307.6193 -148822.6970 299.6170 -183130.3163 -148732.9031 300.0779 0.8502 29.5889 558781.0429 23.9447 23.9587 PRESSURE: 698400 -26.2649 241.704 -107.027 241.705 -7.53655 38.9139 -107.027 38.9141 -23.1767 GPRESSURE: 698400 45.9215 220.792 -29.5327 264.414 -31.1022 23.7372 -147.358 -24.4023 21.6986 PRESSAVG: 698400 12.7729 42.3267 -8.20662 42.3267 5.64102 42.6185 -8.20678 42.6185 -22.349 GPRESSAVG: 698400 12.0939 42.9981 -8.88687 42.3628 6.38546 39.2473 -8.22053 45.1966 -22.1589 TIMING: 698400 CPU: 2069.24, 0.00296329/step Wall: 2069.24, 0.00296329/step, 3.5408 hours remaining, 206.652344 MB of memory in use. ENERGY: 698400 729.5020 2067.1596 1968.2917 117.7536 -206056.5092 17861.9064 0.0000 0.0000 34315.7622 -148996.1336 299.6881 -183311.8958 -148901.4865 299.7453 -18.9927 12.1726 558330.3519 -1.3117 -1.2265 PRESSURE: 698600 38.4376 -17.2925 -188.176 -17.2918 384.134 59.4384 -188.176 59.4393 143.46 GPRESSURE: 698600 61.6405 -43.8493 -106.218 -32.6871 456.351 60.6433 -217.862 79.4685 146.17 PRESSAVG: 698600 8.22037 -50.1027 32.4202 -50.1027 41.509 -15.43 32.4203 -15.4299 -15.2016 GPRESSAVG: 698600 7.80739 -51.1707 32.5972 -49.5571 42.3209 -13.0088 31.0196 -16.3847 -15.2212 TIMING: 698600 CPU: 2069.83, 0.00297467/step Wall: 2069.83, 0.00297467/step, 3.55424 hours remaining, 206.652344 MB of memory in use. ENERGY: 698600 726.2238 2139.6222 1933.0599 107.3921 -206177.1908 18140.1003 0.0000 0.0000 34219.2300 -148911.5626 298.8450 -183130.7925 -148817.3271 299.9391 188.6775 221.3871 558606.6367 11.5093 11.6357 PRESSURE: 698800 -117.38 101.486 -176.2 101.487 186.831 69.0338 -176.2 69.033 -145.073 GPRESSURE: 698800 -94.6726 71.9382 -176.337 161.96 186.4 157.016 -116.63 -3.01297 -85.311 PRESSAVG: 698800 27.6393 14.6191 -5.97008 14.6191 1.11269 -44.0417 -5.97011 -44.0417 -48.3025 GPRESSAVG: 698800 28.5238 13.6155 -7.8059 16.3797 1.13732 -42.4878 -4.95413 -45.4518 -48.9891 TIMING: 698800 CPU: 2070.42, 0.00295968/step Wall: 2070.42, 0.00295968/step, 3.53616 hours remaining, 206.652344 MB of memory in use. ENERGY: 698800 760.2538 2084.6554 1923.5485 107.7834 -205851.8725 17812.2466 0.0000 0.0000 34219.7015 -148943.6833 298.8492 -183163.3848 -148843.6665 299.7870 -25.2075 2.1390 557888.8310 -6.5168 -6.4426 PRESSURE: 699000 153.63 -124.752 54.5509 -124.753 -13.8374 -84.4533 54.5518 -84.4531 45.7803 GPRESSURE: 699000 195.691 -131.331 53.0914 -37.3584 16.2062 -62.0104 5.18829 -74.3342 67.8669 PRESSAVG: 699000 29.9465 -4.75147 -9.44933 -4.75151 32.8002 19.5811 -9.44924 19.581 -51.5009 GPRESSAVG: 699000 29.1727 -5.90493 -8.45065 -3.91664 32.8193 17.475 -8.12639 21.1107 -50.4733 TIMING: 699000 CPU: 2071.02, 0.00296313/step Wall: 2071.02, 0.00296313/step, 3.54012 hours remaining, 206.652344 MB of memory in use. ENERGY: 699000 731.8026 2111.7311 1924.7490 118.4762 -206185.8289 17917.9586 0.0000 0.0000 34373.7286 -149007.3828 300.1943 -183381.1114 -148910.8876 299.9843 61.8577 93.2547 557469.6152 3.7486 3.8396 PRESSURE: 699200 -156.344 2.72147 -42.7112 2.72197 10.8677 -128.088 -42.7097 -128.09 -15.9946 GPRESSURE: 699200 -51.1825 -70.3935 -107.487 -19.6243 44.2871 -95.6465 8.67341 -96.3274 -51.2698 PRESSAVG: 699200 -17.3355 40.0197 -12.6456 40.0198 19.2133 16.6779 -12.6455 16.678 -7.85634 GPRESSAVG: 699200 -17.0287 41.1728 -11.7181 40.6872 19.096 17.6024 -14.2078 16.8278 -7.99816 TIMING: 699200 CPU: 2071.61, 0.00297135/step Wall: 2071.61, 0.00297135/step, 3.54978 hours remaining, 206.652344 MB of memory in use. ENERGY: 699200 765.1074 2083.6077 1935.3432 108.8342 -205765.1105 17746.5219 0.0000 0.0000 34095.2249 -149030.4713 297.7621 -183125.6962 -148929.2842 299.2438 -53.8238 -19.3884 558022.4214 -1.9928 -1.9770 PRESSURE: 699400 -9.30128 73.5179 49.7143 73.5193 -81.9418 58.6868 49.7139 58.6878 57.3425 GPRESSURE: 699400 42.6042 101.405 -40.9871 55.3405 -51.7038 132.027 69.3154 14.0608 62.0608 PRESSAVG: 699400 -60.8678 34.1333 -32.9261 34.1333 52.985 -23.469 -32.9262 -23.469 23.115 GPRESSAVG: 699400 -61.0394 34.8272 -32.3447 32.2439 52.67 -22.4239 -33.3517 -22.5837 23.6472 TIMING: 699400 CPU: 2072.2, 0.0029732/step Wall: 2072.2, 0.0029732/step, 3.55182 hours remaining, 206.652344 MB of memory in use. ENERGY: 699400 740.2013 2132.2383 1939.1428 98.9339 -205948.0128 17913.3570 0.0000 0.0000 34201.0119 -148923.1276 298.6859 -183124.1395 -148826.7972 299.6314 -11.3002 17.6537 557520.1714 5.0774 5.0926 PRESSURE: 699600 90.0336 -74.9521 -166.745 -74.9525 102.799 13.862 -166.744 13.862 41.0771 GPRESSURE: 699600 135.199 -72.4127 -312.677 -119.124 81.2461 2.75406 -42.0854 60.8102 114.889 PRESSAVG: 699600 -31.9458 8.10374 -64.8924 8.10361 40.0237 -7.53533 -64.8925 -7.53536 6.77003 GPRESSAVG: 699600 -32.492 7.97184 -67.2587 9.90342 40.8787 -8.84758 -64.4424 -7.73876 6.15095 TIMING: 699600 CPU: 2072.79, 0.00294799/step Wall: 2072.79, 0.00294799/step, 3.52154 hours remaining, 206.652344 MB of memory in use. ENERGY: 699600 741.2472 2089.3601 1936.5527 113.1106 -206011.7941 18007.2842 0.0000 0.0000 34378.9278 -148745.3114 300.2397 -183124.2392 -148649.2222 299.8425 77.9700 110.4446 559475.3332 4.9493 4.8459 PRESSURE: 699800 26.6907 67.4697 2.74337 67.4691 -129.227 -130.369 2.74374 -130.369 148.619 GPRESSURE: 699800 65.414 122.636 -64.311 2.57368 -102.852 -75.0722 10.4478 -132.034 178.565 PRESSAVG: 699800 -44.0254 -3.092 -0.897238 -3.09203 -5.04548 -56.3583 -0.897255 -56.3581 20.4988 GPRESSAVG: 699800 -43.1918 -1.73723 0.724682 -3.93768 -5.55164 -55.8552 -0.505355 -55.6252 20.5051 TIMING: 699800 CPU: 2073.38, 0.00294924/step Wall: 2073.38, 0.00294924/step, 3.52286 hours remaining, 206.652344 MB of memory in use. ENERGY: 699800 748.5308 2137.5794 1922.5131 113.7707 -206054.1405 17868.3238 0.0000 0.0000 34423.0308 -148840.3919 300.6249 -183263.4227 -148744.1475 299.9881 15.3608 47.0423 556990.9306 -9.5240 -9.4128 PRESSURE: 700000 -72.5618 -23.546 14.8639 -23.5469 12.1448 58.3679 14.8625 58.3664 87.2422 GPRESSURE: 700000 0.561286 -80.9846 1.41922 -14.9792 51.1821 91.4705 75.9687 30.7605 72.4897 PRESSAVG: 700000 -22.2353 4.6627 -9.92039 4.66259 23.7733 11.97 -9.9205 11.9701 35.9296 GPRESSAVG: 700000 -22.1436 4.21798 -8.68523 2.94655 23.6412 7.66151 -11.2903 13.0011 36.1851 TIMING: 700000 CPU: 2073.97, 0.00295333/step Wall: 2073.97, 0.00295333/step, 3.52759 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: 700000 733.3799 2115.3822 1930.7171 126.1025 -206207.4309 17833.7551 0.0000 0.0000 34559.3310 -148908.7632 301.8152 -183468.0942 -148809.4098 300.4111 8.9417 41.4110 558860.8575 12.4892 12.5609 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 700000 WRITING COORDINATES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART COORDINATES The last position output (seq=700000) takes 0.010 seconds, 206.652 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 700200 -63.7988 -178.217 -86.1067 -178.217 86.0812 263.206 -86.1071 263.207 -11.0872 GPRESSURE: 700200 9.46134 -195.316 -86.7874 -74.4092 73.8367 252.428 -72.9012 290.18 39.6689 PRESSAVG: 700200 -64.8855 -39.3397 -45.7888 -39.3397 56.2672 -13.9816 -45.7888 -13.9816 -0.141799 GPRESSAVG: 700200 -65.3325 -38.878 -46.7951 -39.5188 56.6616 -9.7471 -44.5939 -16.0884 -0.49875 TIMING: 700200 CPU: 2074.59, 0.00306828/step Wall: 2074.59, 0.00306828/step, 3.66472 hours remaining, 206.777344 MB of memory in use. ENERGY: 700200 748.9103 2137.3948 1939.9320 113.4333 -206042.8970 17744.0276 0.0000 0.0000 34401.3078 -148957.8913 300.4352 -183359.1991 -148864.7252 300.7416 3.7317 40.9890 558425.7828 -2.9200 -3.0565 LDB: ============= START OF LOAD BALANCING ============== 2078.01 LDB: ============== END OF LOAD BALANCING =============== 2078.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2078.02 LDB: ============= START OF LOAD BALANCING ============== 2078.31 LDB: Largest compute 4820 load 0.031911 is 27.1% of average load 0.117819 LDB: Average compute 0.001736 is 1.5% of average load 0.117819 LDB: TIME 2078.31 LOAD: AVG 0.117819 MAX 0.195461 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 2078.31 LOAD: AVG 0.117819 MAX 0.195461 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.426 MB LDB: TIME 2078.31 LOAD: AVG 0.117819 MAX 0.195461 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2078.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2078.32 PRESSURE: 700400 -156.64 89.9931 -94.3716 89.9923 -100.981 73.8942 -94.3719 73.895 -185.147 GPRESSURE: 700400 -116.79 105.8 -4.63201 -5.62398 -83.7801 43.1478 -149.341 103.402 -159.977 PRESSAVG: 700400 2.69131 19.0852 -57.7497 19.0852 5.15682 54.5703 -57.7497 54.5704 -38.2896 GPRESSAVG: 700400 3.8003 18.2122 -58.2748 19.2926 4.48833 51.5133 -58.4655 54.1116 -38.4442 TIMING: 700400 CPU: 2075.19, 0.003006/step Wall: 2075.19, 0.003006/step, 3.59017 hours remaining, 205.937500 MB of memory in use. ENERGY: 700400 746.4308 2092.5319 1923.8286 117.7027 -206073.5700 17599.5655 0.0000 0.0000 34594.5710 -148998.9394 302.1230 -183593.5105 -148903.0449 300.0355 -147.5893 -120.1824 559033.7492 -10.1472 -10.0519 PRESSURE: 700600 53.929 -5.79795 -36.5187 -5.79768 -273.824 92.0638 -36.5174 92.0641 -282.734 GPRESSURE: 700600 25.661 -58.7191 -50.7385 -28.1565 -227.533 96.2224 -50.8646 85.3 -212.953 PRESSAVG: 700600 -19.2325 47.3385 -13.1503 47.3385 58.572 52.1108 -13.1502 52.1108 -12.3734 GPRESSAVG: 700600 -19.647 47.6485 -15.9572 46.8498 58.4258 54.3373 -10.3308 51.4455 -12.3801 TIMING: 700600 CPU: 2075.78, 0.00296686/step Wall: 2075.78, 0.00296686/step, 3.54326 hours remaining, 205.937500 MB of memory in use. ENERGY: 700600 776.9069 2149.8022 1955.4094 114.3864 -206118.8546 17718.9407 0.0000 0.0000 34396.8486 -149006.5604 300.3962 -183403.4090 -148912.3538 300.4353 -167.5433 -138.2749 559796.5159 8.9887 8.7996 PRESSURE: 700800 11.5302 -14.4691 -12.7157 -14.4692 -162.162 29.3529 -12.716 29.3531 54.2337 GPRESSURE: 700800 78.9957 31.8742 -77.3244 -6.71185 -115.042 -12.5919 -37.0002 -27.7708 36.1348 PRESSAVG: 700800 17.8046 37.4596 3.37106 37.4595 44.559 -25.9742 3.37106 -25.9742 -55.098 GPRESSAVG: 700800 17.7943 37.0506 6.99312 39.1295 45.7002 -26.0692 2.49852 -25.1763 -55.5174 TIMING: 700800 CPU: 2076.37, 0.00293936/step Wall: 2076.37, 0.00293936/step, 3.51025 hours remaining, 205.937500 MB of memory in use. ENERGY: 700800 724.6664 2101.1710 1948.6115 98.6912 -206079.8598 17823.2607 0.0000 0.0000 34323.5442 -149059.9147 299.7560 -183383.4590 -148957.3052 299.6822 -32.1328 0.0294 560348.2946 2.4219 2.6590 PRESSURE: 701000 141.813 -49.9678 163.767 -49.9685 -155.722 -239.226 163.766 -239.225 -44.5345 GPRESSURE: 701000 209.179 -95.6719 83.9287 -34.506 -188.98 -289.906 174.748 -187.351 11.4364 PRESSAVG: 701000 28.6214 -9.9218 -3.59438 -9.92173 -55.8653 -54.5006 -3.59439 -54.5005 2.91692 GPRESSAVG: 701000 28.5142 -8.43426 -4.56592 -11.0036 -56.7219 -54.4555 -3.06912 -54.0674 3.94631 TIMING: 701000 CPU: 2076.96, 0.00294576/step Wall: 2076.96, 0.00294576/step, 3.51773 hours remaining, 205.937500 MB of memory in use. ENERGY: 701000 733.5026 2141.4073 1943.3676 117.3832 -206380.7995 17921.9914 0.0000 0.0000 34260.7551 -149262.3924 299.2077 -183523.1475 -149164.7411 299.2801 -19.4811 10.5453 558484.7436 -8.1090 -8.0872 PRESSURE: 701200 14.5286 23.633 -138.547 23.6329 -121.602 103.972 -138.547 103.972 -65.3305 GPRESSURE: 701200 51.2249 46.5821 -178.982 0.0238301 -68.3458 180.211 -107.201 41.6466 -61.1343 PRESSAVG: 701200 7.48638 24.2941 -7.88314 24.294 -26.5285 -36.7101 -7.88321 -36.7101 27.9834 GPRESSAVG: 701200 7.72399 23.8438 -7.9106 22.6964 -24.9745 -36.4452 -9.21263 -36.6636 26.8449 TIMING: 701200 CPU: 2077.55, 0.00296911/step Wall: 2077.55, 0.00296911/step, 3.54545 hours remaining, 205.937500 MB of memory in use. ENERGY: 701200 747.7190 2089.3194 1937.8164 113.7476 -206148.3539 17811.7296 0.0000 0.0000 34211.0887 -149236.9332 298.7739 -183448.0220 -149138.6285 298.3432 -57.4679 -26.0851 558782.0351 2.9804 3.1982 PRESSURE: 701400 -61.585 -101.62 -45.5783 -101.621 -143.873 43.8405 -45.5784 43.8421 -44.2646 GPRESSURE: 701400 20.0944 -46.1146 -24.2233 -112.305 -111.159 35.3742 -33.3555 34.5276 -62.262 PRESSAVG: 701400 29.4483 3.37142 -27.1128 3.37139 -57.7378 -31.748 -27.1129 -31.748 -6.19295 GPRESSAVG: 701400 29.9721 2.88385 -28.7266 3.45367 -57.0456 -30.599 -25.2461 -31.0659 -6.87832 TIMING: 701400 CPU: 2078.15, 0.00298159/step Wall: 2078.15, 0.00298159/step, 3.56018 hours remaining, 205.937500 MB of memory in use. ENERGY: 701400 786.8768 2127.8974 1917.4852 102.8141 -206276.2983 17807.2549 0.0000 0.0000 34341.1248 -149192.8453 299.9096 -183533.9701 -149095.5883 299.2751 -83.2408 -51.1089 557408.8302 -11.4942 -11.3173 PRESSURE: 701600 189.292 2.15913 91.577 2.1613 41.2816 -12.833 91.576 -12.8331 196.357 GPRESSURE: 701600 162.434 -12.0089 115.364 60.6105 103.916 22.8329 94.9282 -84.3905 247.216 PRESSAVG: 701600 17.1173 -23.3855 -34.3218 -23.3856 -3.57819 -20.3039 -34.3219 -20.304 11.9254 GPRESSAVG: 701600 16.2493 -23.9603 -32.3025 -22.4944 -4.08297 -19.7398 -35.6847 -21.2769 13.281 TIMING: 701600 CPU: 2078.75, 0.00299131/step Wall: 2078.75, 0.00299131/step, 3.57162 hours remaining, 205.937500 MB of memory in use. ENERGY: 701600 764.9906 2112.5952 1949.5095 103.8426 -206688.5680 18126.8242 0.0000 0.0000 34563.2923 -149067.5137 301.8498 -183630.8060 -148967.4082 299.3876 142.3100 171.1889 556409.6442 8.4882 8.4824 PRESSURE: 701800 191.455 92.063 -53.9365 92.0621 31.5571 -75.2039 -53.9349 -75.2032 328.372 GPRESSURE: 701800 296.835 38.5566 -73.3606 123.247 53.3419 -155.564 -67.506 -25.5141 271.815 PRESSAVG: 701800 64.7161 -52.4119 24.4949 -52.4119 -89.2431 12.026 24.4949 12.026 -8.0346 GPRESSAVG: 701800 64.6541 -51.5082 24.4116 -54.1486 -90.3072 8.5211 24.8197 12.012 -7.16002 TIMING: 701800 CPU: 2079.34, 0.00298242/step Wall: 2079.34, 0.00298242/step, 3.56085 hours remaining, 205.937500 MB of memory in use. ENERGY: 701800 743.4793 2088.7203 1912.6597 108.0243 -206468.3617 17962.0877 0.0000 0.0000 34311.1800 -149342.2103 299.6481 -183653.3903 -149246.8040 299.6496 183.7949 207.3307 556789.3979 -10.8539 -10.9377 PRESSURE: 702000 129.413 104.075 -82.0642 104.074 -237.81 -116.125 -82.0647 -116.124 -82.4425 GPRESSURE: 702000 157.75 135.128 -67.4783 91.7896 -172.822 -101.052 -0.702997 -192.135 -91.2832 PRESSAVG: 702000 71.0594 35.2977 -11.7719 35.2977 -60.8054 -36.2113 -11.772 -36.2114 -2.70229 GPRESSAVG: 702000 71.6784 33.967 -14.3675 38.2856 -60.7429 -34.1095 -11.153 -37.3821 -3.56328 TIMING: 702000 CPU: 2079.94, 0.00295164/step Wall: 2079.94, 0.00295164/step, 3.52393 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: 702000 773.2431 2091.1299 1937.4010 121.3973 -206307.7567 17794.9491 0.0000 0.0000 34181.0082 -149408.6281 298.5112 -183589.6364 -149316.9745 298.9022 -63.6131 -35.4519 557551.1009 2.5173 2.4574 PRESSURE: 702200 -53.7917 -193.643 29.352 -193.643 42.7696 37.6922 29.3514 37.6919 -20.8287 GPRESSURE: 702200 29.8611 -219.471 38.5101 -151.907 71.6025 6.19637 60.8965 106.041 -43.7704 PRESSAVG: 702200 26.1869 5.56117 3.47619 5.56116 -29.4033 23.262 3.47605 23.262 -0.654705 GPRESSAVG: 702200 25.8513 6.49487 4.72087 3.57852 -28.8927 23.6835 4.28486 25.4426 -0.706507 TIMING: 702200 CPU: 2080.53, 0.00297636/step Wall: 2080.53, 0.00297636/step, 3.55328 hours remaining, 205.937500 MB of memory in use. ENERGY: 702200 712.2895 2183.6688 1950.6085 115.2193 -206390.3406 17777.9367 0.0000 0.0000 34215.1179 -149435.4998 298.8091 -183650.6177 -149344.9967 298.9008 -10.6169 19.2311 556374.3563 -1.2904 -1.2493 PRESSURE: 702400 184.18 -119.502 -55.597 -119.504 70.2297 -28.383 -55.5976 -28.3832 115.008 GPRESSURE: 702400 251.622 -138.6 4.25456 -89.3574 47.3187 -97.1344 -129.108 -40.8305 159.009 PRESSAVG: 702400 67.1408 -17.8894 -5.14394 -17.8894 16.2916 32.2825 -5.144 32.2824 -75.9915 GPRESSAVG: 702400 66.8933 -18.8584 -2.15855 -16.6639 16.9487 29.8024 -7.7001 31.5716 -76.2043 TIMING: 702400 CPU: 2081.12, 0.00294771/step Wall: 2081.12, 0.00294771/step, 3.51891 hours remaining, 205.937500 MB of memory in use. ENERGY: 702400 746.6709 2061.9537 1945.2091 119.3575 -206487.9346 18237.4064 0.0000 0.0000 34022.7153 -149354.6218 297.1288 -183377.3370 -149253.9828 298.3623 123.1390 152.6498 558351.2180 2.4803 2.5459 PRESSURE: 702600 -200.543 -75.1001 75.9858 -75.1012 -49.8837 68.0746 75.9865 68.0744 -192.534 GPRESSURE: 702600 -149.885 -85.1896 57.0991 -14.5082 -40.3969 57.6144 81.9908 62.4807 -153.672 PRESSAVG: 702600 30.4954 -46.0214 -20.1355 -46.0214 -39.3507 -56.8189 -20.1355 -56.8189 -9.742 GPRESSAVG: 702600 31.705 -44.9156 -23.0901 -48.2648 -40.6923 -53.7632 -18.2112 -58.6145 -9.43276 TIMING: 702600 CPU: 2081.71, 0.00294966/step Wall: 2081.71, 0.00294966/step, 3.52108 hours remaining, 205.937500 MB of memory in use. ENERGY: 702600 746.2839 2069.2389 1935.1573 113.2525 -205770.1154 17415.3258 0.0000 0.0000 34171.2992 -149319.5578 298.4265 -183490.8570 -149218.6390 298.6825 -147.6535 -114.6514 556405.3090 -6.1991 -6.1400 PRESSURE: 702800 -113.99 167.795 -103.43 167.795 -128.379 -35.518 -103.43 -35.5182 28.7283 GPRESSURE: 702800 -51.3411 114.986 -26.2147 147.82 -81.9647 29.6346 -63.12 -25.5313 12.1832 PRESSAVG: 702800 22.7153 16.1822 -7.076 16.1823 15.1113 -35.3842 -7.07601 -35.3841 -29.8845 GPRESSAVG: 702800 22.4367 16.8883 -6.53872 16.6666 16.3747 -38.0544 -7.21144 -33.1155 -30.1955 TIMING: 702800 CPU: 2082.3, 0.00293516/step Wall: 2082.3, 0.00293516/step, 3.5036 hours remaining, 205.937500 MB of memory in use. ENERGY: 702800 724.7960 2187.4279 1912.5963 107.7054 -205923.6826 17628.6255 0.0000 0.0000 34111.8159 -149250.7156 297.9070 -183362.5315 -149154.8410 298.2828 -71.2134 -40.3742 556240.2792 2.6474 2.8720 PRESSURE: 703000 -348.775 1.77413 -60.2646 1.77434 19.8905 36.8109 -60.266 36.81 -15.5344 GPRESSURE: 703000 -268.743 31.719 -106.39 -59.6833 21.9941 -0.517267 -73.0345 73.0186 -2.39156 PRESSAVG: 703000 -49.018 3.24955 -52.3656 3.24955 40.4266 2.66018 -52.3656 2.66018 -20.134 GPRESSAVG: 703000 -49.177 1.35974 -52.4659 5.7496 40.9324 3.74961 -53.1005 2.38816 -20.8012 TIMING: 703000 CPU: 2082.89, 0.00294161/step Wall: 2082.89, 0.00294161/step, 3.51114 hours remaining, 205.937500 MB of memory in use. ENERGY: 703000 767.1664 2132.5307 1937.8377 108.5675 -206008.3054 17530.8562 0.0000 0.0000 34321.3663 -149209.9806 299.7370 -183531.3469 -149119.2375 299.0845 -114.8062 -83.0467 557102.7063 -9.5752 -9.6819 PRESSURE: 703200 -162.493 -3.33968 49.7403 -3.3388 -229.912 65.9668 49.7397 65.9676 -235.529 GPRESSURE: 703200 -171.278 -71.1217 -47.1454 64.8887 -180.711 44.0461 64.8943 128.549 -184.753 PRESSAVG: 703200 8.72451 -2.84258 -8.06329 -2.8425 -15.6942 31.8059 -8.06341 31.8059 16.9561 GPRESSAVG: 703200 8.61233 -1.90795 -9.76671 -2.80395 -15.4438 31.2322 -6.12459 33.2913 17.7867 TIMING: 703200 CPU: 2083.47, 0.0029402/step Wall: 2083.47, 0.0029402/step, 3.50929 hours remaining, 205.937500 MB of memory in use. ENERGY: 703200 740.9991 2141.3222 1951.5082 109.4987 -205912.4001 17558.8412 0.0000 0.0000 34211.7243 -149198.5064 298.7795 -183410.2307 -149094.1226 299.2251 -209.3115 -178.9141 559282.3840 3.3288 3.6517 PRESSURE: 703400 107.778 83.0533 40.7631 83.0521 49.5825 -39.996 40.7622 -39.9975 41.2419 GPRESSURE: 703400 137.864 66.092 52.1619 60.8552 95.3778 -109.87 -12.6876 -56.9504 65.3345 PRESSAVG: 703400 1.57602 30.3685 7.87882 30.3685 7.52291 -20.1032 7.87892 -20.1032 30.5771 GPRESSAVG: 703400 2.51895 30.9567 8.48264 27.2225 7.28055 -20.6741 5.26233 -22.1586 30.1261 TIMING: 703400 CPU: 2084.06, 0.0029544/step Wall: 2084.06, 0.0029544/step, 3.52608 hours remaining, 205.937500 MB of memory in use. ENERGY: 703400 794.2965 2092.6943 1939.9667 125.8685 -206564.8907 18138.7469 0.0000 0.0000 34342.4728 -149130.8449 299.9214 -183473.3177 -149030.0138 299.5627 66.2007 99.5256 558228.2528 13.2253 13.3085 PRESSURE: 703600 -33.4064 184.4 196.664 184.402 -3.96037 64.5473 196.664 64.5469 83.2577 GPRESSURE: 703600 20.5345 212.809 287.266 115.673 3.33261 37.3322 146.087 79.5233 115.682 PRESSAVG: 703600 13.6509 19.5033 35.8901 19.5033 9.75733 -56.4855 35.8901 -56.4856 5.66816 GPRESSAVG: 703600 14.5256 17.1032 36.407 22.5107 8.72643 -57.0939 37.4704 -55.0948 4.87754 TIMING: 703600 CPU: 2084.66, 0.00298107/step Wall: 2084.66, 0.00298107/step, 3.55774 hours remaining, 205.937500 MB of memory in use. ENERGY: 703600 769.6323 2071.9446 1956.7643 112.9715 -206478.7784 17970.7626 0.0000 0.0000 34350.2558 -149246.4474 299.9893 -183596.7032 -149150.3677 299.0997 15.2970 46.5163 557971.7964 9.6921 9.3765 PRESSURE: 703800 -100.408 -50.1902 27.4944 -50.19 -38.138 -99.2115 27.4945 -99.2099 79.4835 GPRESSURE: 703800 -60.8384 -108.747 -7.33373 -11.6866 39.3097 -161.213 2.98296 -20.6519 53.311 PRESSAVG: 703800 29.7573 63.0258 11.9098 63.0258 -23.5059 28.0244 11.9099 28.0244 19.9734 GPRESSAVG: 703800 27.6443 63.9633 11.2983 63.2435 -23.0732 30.0789 11.6295 28.2547 21.1158 TIMING: 703800 CPU: 2085.25, 0.00296221/step Wall: 2085.25, 0.00296221/step, 3.53507 hours remaining, 205.937500 MB of memory in use. ENERGY: 703800 762.7416 2106.2050 1946.3296 112.5831 -206083.7617 17708.3779 0.0000 0.0000 34099.9984 -149347.5259 297.8038 -183447.5244 -149248.9741 299.2152 -19.6874 10.5941 557969.8383 8.7416 8.5623 PRESSURE: 704000 190.205 221.173 38.7129 221.173 -33.5738 -215.981 38.7132 -215.98 153.698 GPRESSURE: 704000 246.776 257.795 -42.9752 177.921 -35.0444 -255.083 164.468 -163.659 186.957 PRESSAVG: 704000 5.31951 -6.3154 -28.6589 -6.31523 -76.6578 24.624 -28.659 24.6239 64.2614 GPRESSAVG: 704000 4.12843 -7.05331 -26.1596 -7.69116 -76.2784 23.5259 -28.1391 23.7085 64.4376 TIMING: 704000 CPU: 2085.84, 0.00295538/step Wall: 2085.84, 0.00295538/step, 3.52676 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: 704000 763.8018 2099.1610 1935.7296 105.3795 -206647.1861 18008.1527 0.0000 0.0000 34479.7631 -149255.1984 301.1203 -183734.9615 -149152.4192 299.0957 103.4430 132.8963 556529.8489 -2.3590 -2.5708 PRESSURE: 704200 -160.84 21.789 -89.9421 21.7884 118.512 59.8035 -89.9432 59.8052 -71.3658 GPRESSURE: 704200 -116.591 -36.2116 -119.845 -6.36174 166.242 48.8198 -7.45559 53.7034 -62.1629 PRESSAVG: 704200 -84.1106 11.9676 -16.0852 11.9676 75.2712 -3.97567 -16.0853 -3.97554 49.5788 GPRESSAVG: 704200 -83.1907 11.9483 -17.7556 12.2705 75.6056 -4.42438 -14.694 -4.30244 48.648 TIMING: 704200 CPU: 2086.44, 0.00297943/step Wall: 2086.44, 0.00297943/step, 3.55529 hours remaining, 205.937500 MB of memory in use. ENERGY: 704200 752.2368 2086.4975 1944.6325 117.4092 -206395.9301 17710.8298 0.0000 0.0000 34537.0906 -149247.2335 301.6210 -183784.3242 -149145.2597 299.9610 -37.8978 -4.1706 555476.6168 13.5798 13.6876 LDB: ============= START OF LOAD BALANCING ============== 2089.87 LDB: ============== END OF LOAD BALANCING =============== 2089.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2089.87 LDB: ============= START OF LOAD BALANCING ============== 2090.17 LDB: Largest compute 4820 load 0.032204 is 27.3% of average load 0.117783 LDB: Average compute 0.001734 is 1.5% of average load 0.117783 LDB: TIME 2090.17 LOAD: AVG 0.117783 MAX 0.198098 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.961 MB LDB: TIME 2090.17 LOAD: AVG 0.117783 MAX 0.198098 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.965 MB LDB: TIME 2090.17 LOAD: AVG 0.117783 MAX 0.198098 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.965 MB LDB: ============== END OF LOAD BALANCING =============== 2090.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2090.18 PRESSURE: 704400 56.0929 -60.3964 -38.4605 -60.3972 -146.062 16.6796 -38.4601 16.6815 -141.629 GPRESSURE: 704400 116.561 -20.9676 8.42233 -84.8827 -120.146 68.8596 -75.283 -16.4733 -138.498 PRESSAVG: 704400 -50.0073 -28.2079 1.33987 -28.2079 -0.00524189 17.1512 1.33994 17.1512 49.0237 GPRESSAVG: 704400 -48.1958 -27.3984 2.28601 -29.1973 -1.86149 20.8711 0.028635 14.8128 48.7828 TIMING: 704400 CPU: 2087.05, 0.00303654/step Wall: 2087.05, 0.00303654/step, 3.62326 hours remaining, 206.707031 MB of memory in use. ENERGY: 704400 759.1382 2122.7285 1935.0639 101.5464 -206430.1221 17897.2920 0.0000 0.0000 34108.8279 -149505.5251 297.8809 -183614.3530 -149400.1500 299.2572 -77.1994 -47.3610 557685.9979 -0.3296 -0.4248 PRESSURE: 704600 -92.4346 26.4433 0.146044 26.4425 -42.5927 79.6954 0.147926 79.695 -123.947 GPRESSURE: 704600 -18.293 76.9444 -73.554 22.9154 -8.28705 91.8223 55.1694 13.7871 -129.625 PRESSAVG: 704600 -31.4639 -8.18017 37.0066 -8.18007 42.1935 27.3248 37.0067 27.3249 8.30491 GPRESSAVG: 704600 -32.1057 -9.86413 37.0457 -7.95088 42.5733 24.7759 36.4346 29.6126 8.53124 TIMING: 704600 CPU: 2087.65, 0.00299187/step Wall: 2087.65, 0.00299187/step, 3.5698 hours remaining, 206.707031 MB of memory in use. ENERGY: 704600 776.3231 2129.8644 1956.0218 113.5559 -206649.4977 18007.1070 0.0000 0.0000 34267.5027 -149399.1227 299.2666 -183666.6254 -149305.3387 298.5171 -86.3246 -52.0684 558368.0612 6.3449 6.3329 PRESSURE: 704800 59.3886 183.803 77.3097 183.803 -32.7635 23.3814 77.3104 23.3815 -202.79 GPRESSURE: 704800 97.367 119.894 21.6216 131.431 -3.68554 65.2675 113.848 34.3674 -168.711 PRESSAVG: 704800 -5.13336 77.1474 39.4741 77.1474 -14.9536 -47.4689 39.4741 -47.469 1.9433 GPRESSAVG: 704800 -4.53847 77.6234 36.9691 78.1943 -13.3583 -46.1049 39.6179 -47.4612 -0.294932 TIMING: 704800 CPU: 2088.24, 0.00296599/step Wall: 2088.24, 0.00296599/step, 3.53875 hours remaining, 206.707031 MB of memory in use. ENERGY: 704800 760.4083 2123.0227 1970.0984 131.4026 -206300.8181 17889.0896 0.0000 0.0000 34066.9998 -149359.7969 297.5156 -183426.7966 -149272.7986 298.6114 -58.7217 -25.0098 557464.1304 -6.0479 -6.0639 PRESSURE: 705000 288.691 154.45 -121.961 154.45 -10.0737 -175.85 -121.961 -175.849 139.533 GPRESSURE: 705000 349.988 136.153 -100.499 130.084 -11.2187 -115.26 -80.5417 -141.536 182.554 PRESSAVG: 705000 47.6323 10.1687 -33.0762 10.1687 -35.8631 -34.146 -33.0761 -34.1459 3.5324 GPRESSAVG: 705000 47.7141 9.53176 -32.825 10.9639 -38.3821 -33.0439 -31.9081 -33.2695 5.44947 TIMING: 705000 CPU: 2088.83, 0.00297793/step Wall: 2088.83, 0.00297793/step, 3.55283 hours remaining, 206.707031 MB of memory in use. ENERGY: 705000 775.4780 2107.2826 1960.3573 111.9147 -206318.0434 17918.5805 0.0000 0.0000 33995.1930 -149449.2373 296.8885 -183444.4303 -149358.8605 298.8545 139.3834 173.7745 557239.9184 5.1005 4.9271 PRESSURE: 705200 -167.419 143.239 -88.3435 143.24 143.903 -32.9444 -88.3432 -32.9456 -291.395 GPRESSURE: 705200 -184.541 187.298 -37.7192 168.038 190.316 -72.3652 -178.678 -39.7251 -234.388 PRESSAVG: 705200 21.6116 40.3727 -11.0788 40.3727 -42.0331 -19.2874 -11.0788 -19.2875 7.32568 GPRESSAVG: 705200 21.1539 40.5052 -8.33372 39.2768 -42.128 -23.3405 -12.5891 -19.5523 7.38118 TIMING: 705200 CPU: 2089.43, 0.0029618/step Wall: 2089.43, 0.0029618/step, 3.53342 hours remaining, 206.707031 MB of memory in use. ENERGY: 705200 791.3646 2134.5050 1969.9984 123.9997 -206155.5019 17799.5640 0.0000 0.0000 34107.0162 -149229.0541 297.8651 -183336.0703 -149138.3257 298.4173 -104.9702 -76.2046 558739.3978 -4.3653 -4.5310 PRESSURE: 705400 15.964 63.0222 29.6811 63.0221 -99.8051 -64.2708 29.6816 -64.2695 110.604 GPRESSURE: 705400 25.7528 56.4958 -45.8891 43.5002 -76.5399 -140.209 42.7841 -30.9495 161.813 PRESSAVG: 705400 52.5577 50.7559 -68.5031 50.7558 -20.387 -3.67305 -68.5031 -3.67309 -44.4315 GPRESSAVG: 705400 52.4227 51.4022 -69.7169 50.8489 -20.0555 -1.83608 -68.4482 -6.32297 -44.7251 TIMING: 705400 CPU: 2090.02, 0.0029867/step Wall: 2090.02, 0.0029867/step, 3.56297 hours remaining, 206.707031 MB of memory in use. ENERGY: 705400 721.1421 2151.5400 1967.8521 118.7757 -206257.8403 17843.6477 0.0000 0.0000 34317.2491 -149137.6337 299.7011 -183454.8828 -149039.5914 298.9965 8.9209 37.0087 557616.6747 -4.0869 -4.1193 PRESSURE: 705600 -274.657 -39.1818 -111.119 -39.1807 -41.3427 -1.35481 -111.119 -1.35598 -149.743 GPRESSURE: 705600 -209.106 -45.3141 -93.1867 -57.6456 -37.7298 -13.831 -96.5552 11.999 -124.255 PRESSAVG: 705600 27.917 -38.7824 -8.89736 -38.7824 0.475987 11.2949 -8.89735 11.2949 -17.0066 GPRESSAVG: 705600 28.0548 -38.4941 -7.33632 -39.2393 1.953 10.0828 -10.3536 13.9473 -18.2799 TIMING: 705600 CPU: 2090.62, 0.0029696/step Wall: 2090.62, 0.0029696/step, 3.5424 hours remaining, 206.707031 MB of memory in use. ENERGY: 705600 730.8062 2123.2360 1958.3333 117.5740 -206024.2178 17643.5656 0.0000 0.0000 34349.7369 -149100.9658 299.9848 -183450.7027 -148996.9297 299.5745 -155.2476 -123.6969 558994.3995 3.7955 3.9093 PRESSURE: 705800 -39.8897 -105.38 -52.2749 -105.379 173.497 -107.427 -52.2744 -107.428 -91.1255 GPRESSURE: 705800 30.5733 -160.862 12.7125 -29.0066 138.313 -151.793 -119.961 -163.174 -28.4869 PRESSAVG: 705800 -46.9889 -5.71088 -22.3086 -5.71084 49.9995 -15.3663 -22.3087 -15.3663 -28.4101 GPRESSAVG: 705800 -46.3121 -6.3478 -21.6715 -6.29155 48.4361 -14.1977 -20.9554 -15.9994 -27.9094 TIMING: 705800 CPU: 2091.21, 0.0029618/step Wall: 2091.21, 0.0029618/step, 3.53294 hours remaining, 206.707031 MB of memory in use. ENERGY: 705800 718.0419 2055.2492 1985.7388 123.1556 -206454.2805 18029.0353 0.0000 0.0000 34441.7215 -149101.3382 300.7881 -183543.0597 -149004.8916 299.6394 14.1605 46.7999 558037.7686 -8.4665 -8.5951 PRESSURE: 706000 -129.042 -175.435 -121.057 -175.437 -20.084 -25.9672 -121.059 -25.9659 120.998 GPRESSURE: 706000 -21.9879 -118.69 -73.8561 -115.667 -35.5752 -102.141 -177.733 65.3936 119.423 PRESSAVG: 706000 -40.6953 -29.9252 -19.3814 -29.9252 -16.8998 -12.486 -19.3814 -12.4859 36.2441 GPRESSAVG: 706000 -41.2875 -29.2865 -20.5517 -29.486 -16.221 -13.7091 -19.091 -10.6643 35.8736 TIMING: 706000 CPU: 2091.81, 0.00300723/step Wall: 2091.81, 0.00300723/step, 3.58696 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: 706000 743.4175 2080.6657 1972.6880 130.6035 -206112.7581 17767.8078 0.0000 0.0000 34323.1666 -149094.4090 299.7528 -183417.5756 -148997.0843 298.6764 -9.3758 20.6199 556572.0131 -7.1170 -7.2116 PRESSURE: 706200 5.89294 43.1086 53.147 43.1088 -13.0248 -86.0711 53.146 -86.0704 -12.4913 GPRESSURE: 706200 -3.04963 95.2525 80.7095 106.722 50.2794 -126.822 60.8496 -179.086 28.3521 PRESSAVG: 706200 34.7115 -2.84616 5.16477 -2.84616 43.2343 -14.0926 5.16474 -14.0926 -59.2853 GPRESSAVG: 706200 34.3262 -2.31405 4.87491 -4.34892 43.6796 -13.8936 4.54536 -15.354 -58.4708 TIMING: 706200 CPU: 2092.41, 0.00298809/step Wall: 2092.41, 0.00298809/step, 3.56396 hours remaining, 206.707031 MB of memory in use. ENERGY: 706200 729.7392 2047.9871 1966.5425 111.7951 -205868.5076 17668.1336 0.0000 0.0000 34331.9024 -149012.4077 299.8290 -183344.3101 -148919.4809 299.1146 -6.5410 25.1940 557043.4842 6.2202 6.5117 PRESSURE: 706400 -16.0376 -10.0867 66.7517 -10.0858 162.644 -21.4074 66.7525 -21.4076 -259.949 GPRESSURE: 706400 32.3639 -22.7115 168.295 -45.4025 177.312 -38.2712 92.5191 -82.8369 -233.63 PRESSAVG: 706400 11.9267 6.47502 -39.4025 6.47507 -1.3369 -14.619 -39.4025 -14.6189 12.3516 GPRESSAVG: 706400 11.3164 3.90087 -37.6719 8.46887 -0.512362 -13.7947 -40.9219 -14.6768 11.8175 TIMING: 706400 CPU: 2093.01, 0.00298183/step Wall: 2093.01, 0.00298183/step, 3.55632 hours remaining, 206.707031 MB of memory in use. ENERGY: 706400 730.7656 2086.9505 1939.6144 108.1450 -205966.4569 17632.9745 0.0000 0.0000 34534.9744 -148933.0325 301.6025 -183468.0069 -148835.2032 300.3060 -37.7807 -7.9846 557576.4615 7.6471 7.5405 PRESSURE: 706600 -119.293 93.2378 -182.9 93.2371 70.9034 -126.273 -182.901 -126.272 -127.666 GPRESSURE: 706600 -90.2973 122.04 -168.701 72.5519 75.9765 -133.7 -150.1 -94.8927 -72.1651 PRESSAVG: 706600 -15.9976 11.9979 -24.4752 11.9978 -2.19427 -6.69014 -24.4753 -6.69018 -35.5724 GPRESSAVG: 706600 -15.7622 14.2889 -28.4733 12.2019 -4.09828 -6.37452 -21.3742 -6.56522 -34.2725 TIMING: 706600 CPU: 2093.6, 0.00298109/step Wall: 2093.6, 0.00298109/step, 3.55528 hours remaining, 206.707031 MB of memory in use. ENERGY: 706600 752.5189 2118.5138 1918.5776 129.8152 -205855.7008 17614.3497 0.0000 0.0000 34395.7032 -148926.2223 300.3862 -183321.9256 -148825.9592 300.2371 -58.6854 -28.8286 556832.9125 -17.9214 -18.0443 PRESSURE: 706800 -88.8092 -135.856 72.6804 -135.856 -204.702 -95.9604 72.6806 -95.9589 -120.522 GPRESSURE: 706800 -22.7066 -120.566 -11.8612 -83.863 -158.178 -58.2824 64.5085 -122.568 -143.666 PRESSAVG: 706800 -30.621 6.66185 21.1259 6.66181 13.5564 -10.6658 21.1258 -10.6658 25.1274 GPRESSAVG: 706800 -30.2577 7.29579 22.8335 5.83597 14.0128 -10.9037 21.411 -11.5901 24.0668 TIMING: 706800 CPU: 2094.2, 0.00297016/step Wall: 2094.2, 0.00297016/step, 3.54209 hours remaining, 206.707031 MB of memory in use. ENERGY: 706800 754.0775 2107.2158 1956.4452 118.5382 -205800.1844 17586.1310 0.0000 0.0000 34361.4944 -148916.2822 300.0875 -183277.7766 -148822.7213 300.5315 -138.0110 -108.1834 557335.6018 2.6876 2.6073 PRESSURE: 707000 -122.069 -22.0066 112.867 -22.0065 292.136 -5.66008 112.867 -5.66133 -61.9427 GPRESSURE: 707000 -86.0233 -23.093 160.218 -31.1588 310.832 -4.75815 136.248 45.9007 -25.5188 PRESSAVG: 707000 -26.349 5.29436 30.2301 5.29435 45.2767 8.8387 30.2301 8.83884 33.0287 GPRESSAVG: 707000 -26.7974 5.18234 28.3417 3.56746 45.9003 9.51641 28.2179 10.1226 33.5887 TIMING: 707000 CPU: 2094.79, 0.00298089/step Wall: 2094.79, 0.00298089/step, 3.55471 hours remaining, 206.707031 MB of memory in use. ENERGY: 707000 747.7426 2111.7135 1956.8368 103.6388 -205927.2159 17779.9439 0.0000 0.0000 34159.6587 -149067.6816 298.3248 -183227.3403 -148965.1910 299.6859 36.0416 66.4301 556705.4821 17.3188 17.5639 PRESSURE: 707200 102.634 28.6808 -104.16 28.6802 -31.2316 130.04 -104.16 130.038 206.788 GPRESSURE: 707200 70.7877 71.1339 -106.224 45.2693 48.3049 78.4781 -115.77 51.8693 262.545 PRESSAVG: 707200 -23.4562 44.6822 43.575 44.6823 38.1289 1.1216 43.5751 1.12161 -5.50709 GPRESSAVG: 707200 -23.168 43.7326 44.5357 46.2581 38.6831 -0.93615 43.261 2.67168 -5.93696 TIMING: 707200 CPU: 2095.39, 0.00297567/step Wall: 2095.39, 0.00297567/step, 3.54832 hours remaining, 206.707031 MB of memory in use. ENERGY: 707200 745.3293 2162.9397 1949.1602 103.2145 -205987.7210 17835.6683 0.0000 0.0000 34094.6782 -149096.7306 297.7573 -183191.4089 -149001.5667 299.1173 92.7301 127.2124 556633.2160 3.0552 3.1927 PRESSURE: 707400 -200.623 -124.944 65.2424 -124.943 -69.177 -31.0637 65.2436 -31.0643 6.10113 GPRESSURE: 707400 -229.024 -74.5334 87.3304 -144.337 -11.4048 -52.5491 148.556 4.24025 79.8023 PRESSAVG: 707400 -29.7755 -1.88239 -22.2513 -1.88239 28.4012 31.2936 -22.2513 31.2936 4.13321 GPRESSAVG: 707400 -29.4087 -1.36358 -21.2042 -1.43452 27.6047 31.54 -22.4793 27.5588 4.81008 TIMING: 707400 CPU: 2095.98, 0.00296875/step Wall: 2095.98, 0.00296875/step, 3.53991 hours remaining, 206.707031 MB of memory in use. ENERGY: 707400 738.0023 2123.3382 1977.2929 112.6158 -206116.0613 17798.5627 0.0000 0.0000 34247.0754 -149119.1740 299.0882 -183366.2494 -149023.3560 299.3941 -87.8995 -53.5421 557104.6663 0.9196 1.0020 PRESSURE: 707600 64.4487 -83.917 16.3781 -83.9169 49.3329 -146.467 16.3768 -146.466 200.858 GPRESSURE: 707600 80.4946 -179.744 28.5746 -63.3448 53.1652 -197.214 2.49124 -118.027 276.588 PRESSAVG: 707600 -40.4324 -44.4897 5.85398 -44.4897 36.9517 -38.6524 5.85404 -38.6523 -26.2901 GPRESSAVG: 707600 -40.7181 -46.6886 5.68869 -44.8797 36.8742 -38.0495 5.36128 -35.8651 -26.4032 TIMING: 707600 CPU: 2096.58, 0.00297371/step Wall: 2096.58, 0.00297371/step, 3.54566 hours remaining, 206.707031 MB of memory in use. ENERGY: 707600 725.0836 2131.5342 1970.1506 110.5099 -206156.8671 17790.2313 0.0000 0.0000 34176.5388 -149252.8188 298.4722 -183429.3576 -149159.4850 299.2790 104.8798 136.7493 555209.5752 -9.9236 -10.0824 PRESSURE: 707800 91.1972 147.841 288.723 147.84 0.810226 37.53 288.723 37.5311 -208.139 GPRESSURE: 707800 116.416 18.4372 325.896 133.388 24.057 36.7215 278.347 129.128 -157.942 PRESSAVG: 707800 -58.0346 2.70584 38.4603 2.70583 43.4571 34.8814 38.4603 34.8814 12.5516 GPRESSAVG: 707800 -59.2433 3.47899 40.1126 2.97513 44.4486 35.0494 38.3453 33.6601 12.1987 TIMING: 707800 CPU: 2097.17, 0.00296563/step Wall: 2097.17, 0.00296563/step, 3.53585 hours remaining, 206.707031 MB of memory in use. ENERGY: 707800 759.7582 2079.6584 1912.0411 111.7179 -206101.5941 17784.2875 0.0000 0.0000 34198.7341 -149255.3968 298.6661 -183454.1310 -149158.1661 298.9021 -38.7106 -5.8230 556554.5209 -0.6753 -0.8653 PRESSURE: 708000 -246.018 1.61905 -14.6271 1.61847 -103.947 -12.1573 -14.6271 -12.156 -143.422 GPRESSURE: 708000 -169.095 -28.9681 30.1758 -1.28758 -102.3 20.6071 -66.7578 -39.7907 -109.084 PRESSAVG: 708000 -47.1492 27.2596 -28.1011 27.2595 -2.54693 15.0431 -28.1011 15.0432 24.3864 GPRESSAVG: 708000 -45.7944 27.8943 -29.0651 27.4267 -3.70714 14.4834 -28.1968 13.3175 24.309 TIMING: 708000 CPU: 2097.76, 0.00295983/step Wall: 2097.76, 0.00295983/step, 3.52877 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: 708000 786.9280 2041.0406 1924.2362 122.3002 -206152.6045 17658.5566 0.0000 0.0000 34348.9857 -149270.5573 299.9782 -183619.5429 -149169.7870 299.2239 -164.4621 -126.8264 558621.3114 -8.4366 -8.3975 PRESSURE: 708200 -252.34 -69.5357 -230.37 -69.5357 -298.044 3.81867 -230.371 3.81863 -125.176 GPRESSURE: 708200 -218.893 -77.5305 -154.394 -72.839 -260.669 -71.6107 -260.091 33.5847 -96.4613 PRESSAVG: 708200 -91.2376 -4.87774 -34.0335 -4.87768 29.9858 12.0519 -34.0334 12.0518 59.7221 GPRESSAVG: 708200 -91.8062 -3.14349 -35.1388 -7.11993 30.5168 11.4419 -31.3781 14.0969 59.4683 TIMING: 708200 CPU: 2098.35, 0.00295471/step Wall: 2098.35, 0.00295471/step, 3.52251 hours remaining, 206.707031 MB of memory in use. ENERGY: 708200 777.5278 2083.9525 1996.4748 116.1960 -205902.8572 17531.1534 0.0000 0.0000 34228.6648 -149168.8878 298.9274 -183397.5526 -149080.3761 298.3346 -225.1867 -192.0078 556886.8900 -0.5099 -0.6070 LDB: ============= START OF LOAD BALANCING ============== 2101.78 LDB: ============== END OF LOAD BALANCING =============== 2101.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2101.78 LDB: ============= START OF LOAD BALANCING ============== 2102.08 LDB: Largest compute 4820 load 0.033488 is 28.4% of average load 0.117745 LDB: Average compute 0.001738 is 1.5% of average load 0.117745 LDB: TIME 2102.08 LOAD: AVG 0.117745 MAX 0.197571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.223 MB LDB: TIME 2102.08 LOAD: AVG 0.117745 MAX 0.197571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.223 MB LDB: TIME 2102.08 LOAD: AVG 0.117745 MAX 0.197571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.223 MB LDB: ============== END OF LOAD BALANCING =============== 2102.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2102.09 PRESSURE: 708400 365.334 -50.0285 95.1102 -50.0291 119.248 -47.4702 95.1106 -47.4709 160.646 GPRESSURE: 708400 384.869 -41.2448 40.5398 -92.7682 110.338 -55.47 172.778 -40.6369 245.592 PRESSAVG: 708400 -36.3167 8.01217 -9.8416 8.01211 -12.0899 -36.3824 -9.84156 -36.3825 -15.0989 GPRESSAVG: 708400 -36.8492 7.08861 -9.39089 10.4008 -12.2772 -35.6712 -12.0724 -37.1955 -13.9458 TIMING: 708400 CPU: 2098.96, 0.00302647/step Wall: 2098.96, 0.00302647/step, 3.60788 hours remaining, 207.539062 MB of memory in use. ENERGY: 708400 749.6432 2049.7080 1932.7936 122.5660 -206355.5308 18128.9556 0.0000 0.0000 34139.7347 -149232.1297 298.1508 -183371.8644 -149135.1802 298.6834 215.0759 246.9329 557237.2353 -21.1685 -21.0241 PRESSURE: 708600 93.4082 -14.1414 100.844 -14.1415 30.3649 -8.89533 100.843 -8.896 117.024 GPRESSURE: 708600 73.96 32.3179 112.272 2.8511 101.248 -6.59488 176.522 54.5949 163.571 PRESSAVG: 708600 -38.5158 5.93063 36.7577 5.93058 22.8099 -7.12292 36.7576 -7.12299 22.7023 GPRESSAVG: 708600 -37.9411 4.93129 36.9834 5.14046 22.7687 -7.48599 37.508 -8.50001 21.9624 TIMING: 708600 CPU: 2099.55, 0.00295884/step Wall: 2099.55, 0.00295884/step, 3.5271 hours remaining, 207.539062 MB of memory in use. ENERGY: 708600 723.2908 2059.6997 1936.6921 113.5935 -206319.2662 17906.8499 0.0000 0.0000 34343.5123 -149235.6280 299.9304 -183579.1403 -149140.1191 299.4320 80.2657 112.9264 557321.0034 2.3322 2.2633 PRESSURE: 708800 -34.867 100.17 40.3087 100.17 -235.557 18.88 40.3102 18.8814 -99.8555 GPRESSURE: 708800 -40.5655 104.662 69.774 108.448 -204.537 -76.3072 82.1822 25.5153 -21.1305 PRESSAVG: 708800 -0.208153 -27.4089 45.1863 -27.409 43.4894 -4.9515 45.1863 -4.95146 3.13144 GPRESSAVG: 708800 -0.899331 -26.3517 45.3498 -27.8359 44.7738 -3.34683 45.2 -3.93165 3.30351 TIMING: 708800 CPU: 2100.14, 0.00297208/step Wall: 2100.14, 0.00297208/step, 3.54272 hours remaining, 207.539062 MB of memory in use. ENERGY: 708800 758.1292 2056.0041 1912.8041 106.3846 -205942.1885 17677.6684 0.0000 0.0000 34269.7633 -149161.4348 299.2864 -183431.1981 -149058.4594 299.2941 -123.4266 -88.7442 557709.7231 15.4709 15.7260 PRESSURE: 709000 -246.108 9.80442 -11.9067 9.80452 -31.0149 99.3527 -11.9075 99.3503 16.1455 GPRESSURE: 709000 -205.29 6.4034 -24.808 31.9307 17.0458 115.022 -5.42647 135.831 18.0153 PRESSAVG: 709000 -38.2321 16.0986 45.9256 16.0986 33.0414 35.357 45.9258 35.3571 2.74846 GPRESSAVG: 709000 -37.8897 14.9471 44.5718 17.2794 31.9955 33.1433 43.661 37.4556 3.14059 TIMING: 709000 CPU: 2100.74, 0.00295952/step Wall: 2100.74, 0.00295952/step, 3.52759 hours remaining, 207.539062 MB of memory in use. ENERGY: 709000 743.6419 2118.1183 1942.0260 123.2165 -205850.2591 17568.8938 0.0000 0.0000 34209.4428 -149144.9198 298.7596 -183354.3626 -149053.3353 298.8848 -86.9925 -56.7431 558523.8009 -0.8141 -0.9179 PRESSURE: 709200 -73.5374 45.6079 -31.9378 45.6086 -115.978 -41.9193 -31.9391 -41.9195 28.4493 GPRESSURE: 709200 -8.53677 -8.10305 -45.4913 119.909 -101.287 10.6227 -10.4553 -97.5351 44.3097 PRESSAVG: 709200 36.9747 -66.5202 4.33776 -66.5203 -27.4541 83.962 4.33776 83.962 7.81078 GPRESSAVG: 709200 37.2439 -67.6419 3.71389 -64.7216 -27.187 84.858 6.33198 79.994 7.13782 TIMING: 709200 CPU: 2101.32, 0.00294834/step Wall: 2101.32, 0.00294834/step, 3.51409 hours remaining, 207.539062 MB of memory in use. ENERGY: 709200 737.3817 2072.9572 1939.2830 119.3866 -205903.9762 17767.0889 0.0000 0.0000 34160.8577 -149107.0210 298.3353 -183267.8787 -149012.1698 298.9708 -53.6889 -21.8379 558728.0360 5.7771 5.7316 PRESSURE: 709400 -32.6752 98.5591 30.0234 98.5599 229.233 263.307 30.023 263.306 -195.644 GPRESSURE: 709400 -79.1096 117.299 -14.1053 61.3469 248.763 241.164 -3.63266 243.02 -71.0784 PRESSAVG: 709400 22.0483 -21.7527 -16.0653 -21.7526 -62.6607 32.7047 -16.0653 32.7048 71.0144 GPRESSAVG: 709400 22.3244 -19.0847 -15.3089 -23.1357 -63.4399 30.2228 -15.9491 35.1274 71.3797 TIMING: 709400 CPU: 2101.92, 0.00297261/step Wall: 2101.92, 0.00297261/step, 3.54286 hours remaining, 207.539062 MB of memory in use. ENERGY: 709400 694.0446 2107.6999 1969.5461 108.1364 -205892.7187 17647.6553 0.0000 0.0000 34441.8595 -148923.7768 300.7893 -183365.6364 -148826.2638 299.4994 0.3044 32.8585 557362.5878 10.1340 10.0881 PRESSURE: 709600 -4.33182 65.5976 -32.8455 65.5985 9.16448 14.1803 -32.8469 14.1816 107.2 GPRESSURE: 709600 54.0441 -50.4143 34.1075 90.7088 40.7065 56.7819 16.9272 -67.6003 124.798 PRESSAVG: 709600 -3.94288 -3.31215 -32.4747 -3.3122 8.80021 25.9283 -32.4747 25.9284 -5.76495 GPRESSAVG: 709600 -4.72506 -5.66832 -32.612 -1.75217 9.45988 28.8686 -31.6747 25.2257 -5.68293 TIMING: 709600 CPU: 2102.52, 0.003001/step Wall: 2102.52, 0.003001/step, 3.57652 hours remaining, 207.539062 MB of memory in use. ENERGY: 709600 702.9562 2071.1549 1929.6726 120.6037 -205730.0947 17791.4939 0.0000 0.0000 34454.5219 -148659.6915 300.8999 -183114.2135 -148565.3655 299.8861 37.3441 73.1829 559766.4376 -0.3025 -0.3160 PRESSURE: 709800 -22.9235 -62.7518 -13.8528 -62.7521 -147.191 -2.5416 -13.8536 -2.54046 20.5158 GPRESSURE: 709800 -24.0875 3.32227 -18.3682 -50.4785 -102.132 117.599 72.8226 -66.3767 76.2302 PRESSAVG: 709800 -4.91174 -13.0262 -40.0046 -13.0262 -2.52527 27.3499 -40.0045 27.3499 61.1419 GPRESSAVG: 709800 -4.93844 -12.1772 -40.9894 -13.8947 -3.04143 28.0795 -41.0407 25.3405 61.68 TIMING: 709800 CPU: 2103.12, 0.00298263/step Wall: 2103.12, 0.00298263/step, 3.55446 hours remaining, 207.539062 MB of memory in use. ENERGY: 709800 716.8668 2104.4912 1972.9582 119.6969 -205661.3322 17727.4194 0.0000 0.0000 34380.9229 -148638.9768 300.2572 -183019.8997 -148538.9996 300.8480 -49.8663 -16.6629 559110.7210 17.9016 17.9001 PRESSURE: 710000 -269.61 -116.816 -106.217 -116.817 28.5504 128.803 -106.217 128.805 -61.6232 GPRESSURE: 710000 -183.875 -256.192 -152.57 -64.365 -15.7308 80.9657 -66.4961 145.653 0.641497 PRESSAVG: 710000 -32.4567 -1.17393 4.92422 -1.17392 -27.5133 -40.9231 4.92417 -40.9231 31.2356 GPRESSAVG: 710000 -32.423 -1.07051 6.66372 -2.46183 -26.7707 -42.4585 4.31345 -38.6766 30.8034 TIMING: 710000 CPU: 2103.71, 0.00298435/step Wall: 2103.71, 0.00298435/step, 3.55635 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: 710000 754.9869 2050.8798 1946.7434 108.9725 -205766.7451 17756.9040 0.0000 0.0000 34421.5868 -148726.6717 300.6123 -183148.2585 -148627.5980 300.3365 -100.8942 -66.3216 559096.2531 -9.5781 -9.4634 PRESSURE: 710200 74.5819 5.59511 -2.12905 5.59346 -248.008 17.6881 -2.12864 17.6874 -52.0716 GPRESSURE: 710200 119.756 40.6576 -60.2064 -31.714 -234.992 -33.7143 2.89327 40.4101 -17.3073 PRESSAVG: 710200 18.814 -34.1832 -30.0823 -34.1832 -33.0578 -0.197885 -30.0822 -0.197953 44.0108 GPRESSAVG: 710200 18.3321 -35.0441 -31.6895 -34.1264 -32.7648 0.226569 -29.5445 -0.330862 44.4831 TIMING: 710200 CPU: 2104.31, 0.00297599/step Wall: 2104.31, 0.00297599/step, 3.54623 hours remaining, 207.539062 MB of memory in use. ENERGY: 710200 731.7419 2096.3387 1976.5409 110.8664 -205988.6406 17842.3507 0.0000 0.0000 34314.9325 -148915.8696 299.6808 -183230.8020 -148822.0104 300.4617 -75.1660 -44.1813 559404.6442 9.9223 10.0168 PRESSURE: 710400 -128.958 12.5588 -102.872 12.5589 -54.6517 -9.78713 -102.873 -9.78595 -141.317 GPRESSURE: 710400 -118.953 42.419 -108.351 25.1013 -17.7978 -34.4982 -141.92 -66.7074 -93.2252 PRESSAVG: 710400 -70.574 -22.2726 10.9489 -22.2725 56.1331 34.6066 10.9489 34.6066 48.1886 GPRESSAVG: 710400 -69.4574 -20.1724 12.0596 -22.5276 56.2208 34.072 10.2144 34.288 46.4549 TIMING: 710400 CPU: 2104.9, 0.00297214/step Wall: 2104.9, 0.00297214/step, 3.54147 hours remaining, 207.539062 MB of memory in use. ENERGY: 710400 697.1616 2127.6682 1950.8150 114.3969 -205989.5530 17730.4665 0.0000 0.0000 34419.5308 -148949.5139 300.5943 -183369.0447 -148849.5106 300.1126 -108.3090 -76.6587 559569.8053 11.2492 11.0728 PRESSURE: 710600 -36.683 24.3802 -107.639 24.3799 156.697 30.5403 -107.64 30.5391 -87.0468 GPRESSURE: 710600 -99.393 26.9886 -45.9504 33.4225 250.404 43.537 -173.153 -43.5596 -15.5347 PRESSAVG: 710600 -20.5685 37.1181 -22.8737 37.1181 48.645 -27.881 -22.8737 -27.881 8.10734 GPRESSAVG: 710600 -21.008 35.4134 -23.5927 38.0938 47.6468 -26.6866 -22.2069 -28.3831 8.89303 TIMING: 710600 CPU: 2105.5, 0.00296443/step Wall: 2105.5, 0.00296443/step, 3.53212 hours remaining, 207.539062 MB of memory in use. ENERGY: 710600 730.5660 2093.7767 1969.2015 97.4776 -206360.2205 18033.0281 0.0000 0.0000 34208.6939 -149227.4767 298.7530 -183436.1706 -149140.2694 299.9844 10.9891 45.1586 558153.2054 12.0613 11.8439 PRESSURE: 710800 -16.0003 81.9955 20.0566 81.9959 -144.845 -41.8806 20.0572 -41.8796 -429.369 GPRESSURE: 710800 27.124 52.3628 66.2042 36.0814 -110.43 4.91582 -2.72179 -9.02372 -417.357 PRESSAVG: 710800 3.51989 -23.9075 43.5576 -23.9075 22.2925 -22.062 43.5576 -22.0621 -63.3749 GPRESSAVG: 710800 4.11342 -24.6384 43.6016 -23.558 21.8897 -23.1243 43.0216 -21.1526 -63.4582 TIMING: 710800 CPU: 2106.08, 0.00294419/step Wall: 2106.08, 0.00294419/step, 3.50784 hours remaining, 207.539062 MB of memory in use. ENERGY: 710800 714.5992 2070.1042 1961.9926 104.2480 -205910.4482 17571.6704 0.0000 0.0000 34288.5612 -149199.2725 299.4505 -183487.8337 -149106.8755 299.3197 -196.7379 -166.8876 558220.5119 -12.5208 -12.4850 PRESSURE: 711000 48.9336 44.9532 -64.1443 44.9533 84.9301 3.7954 -64.1449 3.7955 200.434 GPRESSURE: 711000 99.0617 61.3585 -153.668 -35.7442 166.075 9.41705 21.2875 -2.42742 173.952 PRESSAVG: 711000 -31.1415 -36.5719 -2.0772 -36.572 28.9604 45.783 -2.07721 45.7831 -42.3347 GPRESSAVG: 711000 -32.7622 -36.301 -1.34872 -37.5554 30.6392 44.7233 -0.950537 47.131 -42.2579 TIMING: 711000 CPU: 2106.67, 0.00294737/step Wall: 2106.67, 0.00294737/step, 3.51147 hours remaining, 207.539062 MB of memory in use. ENERGY: 711000 732.4662 2102.2408 1956.6814 116.3044 -206214.7265 18053.6964 0.0000 0.0000 33901.6933 -149351.6441 296.0719 -183253.3374 -149258.4535 298.6644 111.4327 146.3630 556192.8801 -14.8386 -14.7936 PRESSURE: 711200 124.831 69.8703 -56.6613 69.8709 -57.3678 8.849 -56.6611 8.84981 -272.866 GPRESSURE: 711200 128.825 52.149 -64.0722 48.4752 -15.5155 39.3051 -35.3833 64.5441 -227.397 PRESSAVG: 711200 16.1688 -0.763115 -16.6835 -0.763144 -35.9151 15.5161 -16.6836 15.516 37.8589 GPRESSAVG: 711200 17.8449 -0.604808 -16.1997 2.59825 -37.1034 19.426 -18.9032 13.6957 37.0631 TIMING: 711200 CPU: 2107.26, 0.00293184/step Wall: 2107.26, 0.00293184/step, 3.4928 hours remaining, 207.539062 MB of memory in use. ENERGY: 711200 755.2893 2112.5988 1941.4801 110.8650 -206599.3052 18072.2274 0.0000 0.0000 34221.3430 -149385.5015 298.8635 -183606.8445 -149294.8803 298.2609 -68.4676 -38.0291 557995.2588 6.0375 5.9348 PRESSURE: 711400 -218.723 -28.4257 -104.022 -28.4263 -2.60763 105.393 -104.022 105.393 185.831 GPRESSURE: 711400 -190.351 -58.7279 -2.36723 -2.60755 17.4641 64.5427 -89.4602 96.551 220.617 PRESSAVG: 711400 3.29853 -1.22537 -42.5086 -1.22534 0.206631 -14.1242 -42.5086 -14.1242 -25.2179 GPRESSAVG: 711400 3.28628 -0.215296 -41.6055 -2.76618 -0.00550645 -14.5129 -40.7064 -14.7565 -24.7744 TIMING: 711400 CPU: 2107.85, 0.00293174/step Wall: 2107.85, 0.00293174/step, 3.49252 hours remaining, 207.539062 MB of memory in use. ENERGY: 711400 734.7194 2149.4854 1945.8217 129.2759 -206294.5714 17829.0307 0.0000 0.0000 34142.5553 -149363.6829 298.1754 -183506.2383 -149268.4772 298.4446 -11.8332 15.9099 557471.2601 -7.2376 -7.1645 PRESSURE: 711600 -259.176 30.6376 -92.3964 30.6375 -69.1707 -8.22087 -92.3973 -8.22002 -65.6146 GPRESSURE: 711600 -148.845 -95.0753 -126.92 62.0481 -52.4176 1.81799 -88.204 7.0429 -92.8853 PRESSAVG: 711600 12.1158 -52.1769 10.4842 -52.1768 75.1336 42.3637 10.4841 42.3638 -22.1741 GPRESSAVG: 711600 11.4889 -55.167 10.1513 -50.6661 75.7074 41.2224 10.6486 44.2618 -21.6353 TIMING: 711600 CPU: 2108.44, 0.00298235/step Wall: 2108.44, 0.00298235/step, 3.55264 hours remaining, 207.539062 MB of memory in use. ENERGY: 711600 733.8998 2071.6470 1966.1102 111.2852 -206405.0317 17576.3741 0.0000 0.0000 34461.3912 -149484.3240 300.9599 -183945.7153 -149379.9299 298.4429 -131.3205 -98.0492 557064.9920 21.6918 21.8537 PRESSURE: 711800 357.856 -70.5057 -18.8596 -70.506 -3.13394 0.0738723 -18.8583 0.0729929 -65.1989 GPRESSURE: 711800 338.312 12.951 -40.8324 -66.2384 68.6286 -28.2809 -64.0813 -54.9493 -35.7073 PRESSAVG: 711800 -26.0611 -35.7649 5.4247 -35.7649 10.8806 9.51158 5.42465 9.51152 28.5125 GPRESSAVG: 711800 -26.4694 -34.3451 4.93459 -38.0532 11.678 10.3198 4.59676 8.64155 28.5977 TIMING: 711800 CPU: 2109.04, 0.00298115/step Wall: 2109.04, 0.00298115/step, 3.55105 hours remaining, 207.539062 MB of memory in use. ENERGY: 711800 719.0020 2083.5874 1992.6542 119.7932 -206659.6467 17904.3202 0.0000 0.0000 34250.3406 -149589.9491 299.1167 -183840.2897 -149494.2202 299.0590 96.5076 123.7446 557112.4672 4.4440 4.6021 PRESSURE: 712000 -18.5024 24.7661 80.8704 24.7652 4.1349 68.6549 80.8707 68.6544 208.179 GPRESSURE: 712000 68.0725 -7.1461 218.048 15.8053 -0.118831 73.6914 16.4961 57.4628 228.234 PRESSAVG: 712000 -38.5182 11.5684 35.6206 11.5684 38.4689 -31.3916 35.6207 -31.3915 41.5854 GPRESSAVG: 712000 -38.4385 10.9574 35.8236 13.8369 37.8759 -30.516 35.3953 -31.8962 42.6866 TIMING: 712000 CPU: 2109.63, 0.00297152/step Wall: 2109.63, 0.00297153/step, 3.53942 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: 712000 737.4492 2146.2281 1932.1282 118.3502 -206548.3159 17885.2365 0.0000 0.0000 34282.5549 -149446.3688 299.3981 -183728.9237 -149348.9182 299.4460 64.6040 98.7292 556621.4654 13.8454 14.0413 PRESSURE: 712200 241.364 40.6495 -6.56256 40.6495 -388.252 -223.064 -6.56308 -223.064 -178.61 GPRESSURE: 712200 267.479 75.9558 -70.032 25.5489 -326.454 -251.148 12.6001 -196.68 -164.492 PRESSAVG: 712200 -59.0537 23.7166 21.0521 23.7168 -13.5837 -8.56163 21.0521 -8.56175 20.2663 GPRESSAVG: 712200 -58.6026 24.9956 19.74 21.6668 -13.3047 -11.5975 23.1579 -5.84242 20.1649 TIMING: 712200 CPU: 2110.23, 0.00298056/step Wall: 2110.23, 0.00298056/step, 3.55002 hours remaining, 207.539062 MB of memory in use. ENERGY: 712200 783.5853 2099.1643 1966.0270 114.2831 -206593.5789 17872.8022 0.0000 0.0000 34343.2577 -149414.4594 299.9282 -183757.7172 -149311.0718 299.3369 -108.4993 -74.4890 557513.9420 -17.4570 -17.2474 LDB: ============= START OF LOAD BALANCING ============== 2113.66 LDB: ============== END OF LOAD BALANCING =============== 2113.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2113.66 LDB: ============= START OF LOAD BALANCING ============== 2113.96 LDB: Largest compute 4820 load 0.031248 is 26.5% of average load 0.117806 LDB: Average compute 0.001729 is 1.5% of average load 0.117806 LDB: TIME 2113.96 LOAD: AVG 0.117806 MAX 0.196123 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 2113.96 LOAD: AVG 0.117806 MAX 0.196123 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: TIME 2113.96 LOAD: AVG 0.117806 MAX 0.196123 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2113.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2113.97 PRESSURE: 712400 70.5241 117.282 -116.959 117.281 -129.317 -16.3793 -116.958 -16.3793 -3.14416 GPRESSURE: 712400 146.237 167.178 -60.0713 78.8826 -154.508 -14.1936 -93.0271 -54.7821 44.9512 PRESSAVG: 712400 -27.1046 70.7577 -46.1496 70.7577 2.26998 -11.2405 -46.1497 -11.2405 33.8301 GPRESSAVG: 712400 -28.262 71.6225 -46.3015 70.8858 3.32212 -9.54656 -46.6 -12.7847 33.9017 TIMING: 712400 CPU: 2110.84, 0.00304971/step Wall: 2110.84, 0.00304971/step, 3.6322 hours remaining, 205.734375 MB of memory in use. ENERGY: 712400 739.1244 2070.9999 1994.1413 116.6910 -206470.7676 17887.4041 0.0000 0.0000 34210.6694 -149451.7374 298.7703 -183662.4068 -149353.9093 298.7713 -20.6457 12.2267 557563.8053 2.9985 2.9873 PRESSURE: 712600 116.665 -34.73 -114.258 -34.7302 56.6043 80.1858 -114.259 80.1856 300.668 GPRESSURE: 712600 201.341 -22.2604 -112.639 3.82122 61.9836 51.0789 -178.563 27.218 295.003 PRESSAVG: 712600 -10.2418 63.6236 -6.91129 63.6236 -5.47955 15.4059 -6.91127 15.4058 27.0749 GPRESSAVG: 712600 -8.7885 63.3466 -5.1673 63.3286 -6.57723 17.6511 -5.85535 13.254 26.8504 TIMING: 712600 CPU: 2111.44, 0.00297803/step Wall: 2111.44, 0.00297803/step, 3.54667 hours remaining, 205.937500 MB of memory in use. ENERGY: 712600 762.8215 2066.9094 1992.5229 103.4775 -206679.1065 18281.6431 0.0000 0.0000 34193.9281 -149277.8040 298.6241 -183471.7321 -149181.5618 299.1366 157.9790 186.1092 558583.8483 3.7845 3.8282 PRESSURE: 712800 38.7322 50.0098 -139.949 50.01 -77.4866 -55.7267 -139.951 -55.7278 97.5494 GPRESSURE: 712800 0.76165 49.2601 2.40151 88.1344 23.8376 -87.2971 -188.998 -21.2265 134.697 PRESSAVG: 712800 -45.4908 -26.6136 22.105 -26.6136 17.948 36.6183 22.105 36.6183 58.6876 GPRESSAVG: 712800 -45.8519 -27.9452 22.6314 -25.841 17.7885 31.9345 18.6788 38.4075 58.9956 TIMING: 712800 CPU: 2112.03, 0.00296663/step Wall: 2112.03, 0.00296663/step, 3.53292 hours remaining, 205.937500 MB of memory in use. ENERGY: 712800 765.4960 2099.3879 1972.3494 114.7031 -206462.0993 17884.6625 0.0000 0.0000 34320.3896 -149305.1108 299.7285 -183625.5004 -149211.0602 299.0654 19.5984 53.0988 556902.9870 10.3816 10.3107 PRESSURE: 713000 65.9774 256.361 68.8187 256.361 48.3607 -155.956 68.8175 -155.954 -78.5453 GPRESSURE: 713000 87.7382 268.921 97.7621 288.259 90.2762 -113.221 100.533 -238.908 -46.8795 PRESSAVG: 713000 56.4324 17.1898 61.738 17.1898 -24.5626 -7.66543 61.738 -7.66548 14.3728 GPRESSAVG: 713000 56.1025 18.052 61.2619 16.5287 -24.1804 -5.23112 62.7714 -7.80792 14.7023 TIMING: 713000 CPU: 2112.63, 0.00298449/step Wall: 2112.63, 0.00298449/step, 3.55403 hours remaining, 205.937500 MB of memory in use. ENERGY: 713000 726.9919 2092.6991 1960.5860 120.0014 -206382.4375 17912.1116 0.0000 0.0000 34291.4513 -149278.5963 299.4758 -183570.0476 -149174.0394 298.9643 11.9309 43.7116 556921.5902 15.4142 15.5414 PRESSURE: 713200 173.492 -29.9084 -46.7945 -29.9085 -103.419 40.1725 -46.7946 40.1726 -309.602 GPRESSURE: 713200 215.145 28.7565 -163.939 -105.012 -92.9451 35.6978 -16.9926 -73.1412 -273.515 PRESSAVG: 713200 100.338 -82.1505 48.3953 -82.1506 -103.467 -23.7239 48.3953 -23.7239 26.991 GPRESSAVG: 713200 100.734 -82.157 47.6188 -81.0351 -102.339 -23.8797 49.1745 -24.8946 25.1788 TIMING: 713200 CPU: 2113.22, 0.00295087/step Wall: 2113.22, 0.00295087/step, 3.51383 hours remaining, 205.937500 MB of memory in use. ENERGY: 713200 735.5164 2134.9832 1997.1361 120.7411 -206286.1189 17747.1028 0.0000 0.0000 34353.1327 -149197.5065 300.0145 -183550.6392 -149106.6435 299.4813 -79.8429 -50.4385 557663.9545 7.9539 7.8578 PRESSURE: 713400 89.971 -102.284 27.0665 -102.284 12.8519 -40.9517 27.0658 -40.9501 -82.4462 GPRESSURE: 713400 144.03 -97.8278 63.0811 -60.0781 48.7823 -30.1289 -24.0596 17.3561 -73.5777 PRESSAVG: 713400 34.8436 35.2782 15.1032 35.2782 7.44821 -17.7386 15.1032 -17.7385 -7.69724 GPRESSAVG: 713400 35.1442 35.1345 14.9043 32.8898 8.06028 -18.2823 14.4553 -16.7854 -8.71777 TIMING: 713400 CPU: 2113.81, 0.00294987/step Wall: 2113.81, 0.00294987/step, 3.51247 hours remaining, 205.937500 MB of memory in use. ENERGY: 713400 722.9274 2069.7139 1925.1234 110.4898 -205872.0513 17753.3796 0.0000 0.0000 34186.6419 -149103.7754 298.5604 -183290.4173 -149010.9682 299.1042 6.7922 39.7448 557531.9016 11.5315 11.4956 PRESSURE: 713600 136.549 -73.5466 205.841 -73.547 -195.789 -74.6024 205.84 -74.6022 46.4085 GPRESSURE: 713600 197.1 -93.4587 140.696 -31.1199 -150.715 -68.3488 223.787 -93.1551 35.8461 PRESSAVG: 713600 47.4511 -16.948 -51.5867 -16.9481 -73.4524 -22.0482 -51.5868 -22.0483 -32.7759 GPRESSAVG: 713600 47.4548 -16.0698 -52.1981 -13.4875 -74.3792 -21.8626 -50.8992 -22.7676 -31.885 TIMING: 713600 CPU: 2114.4, 0.00297111/step Wall: 2114.4, 0.00297111/step, 3.5376 hours remaining, 205.937500 MB of memory in use. ENERGY: 713600 732.3745 2148.8408 1944.6616 105.9003 -206272.8328 17869.4824 0.0000 0.0000 34348.0289 -149123.5443 299.9699 -183471.5732 -149031.3656 298.5639 -4.2770 27.4102 558302.6393 -19.5924 -19.6031 PRESSURE: 713800 -24.5562 -10.7995 107.564 -10.8006 28.5235 -157.023 107.564 -157.024 371.63 GPRESSURE: 713800 -15.0185 -16.6161 84.3591 13.3348 88.677 -138.514 90.333 -78.4228 389.882 PRESSAVG: 713800 17.5225 22.1025 61.5834 22.1026 10.139 -37.8231 61.5834 -37.8232 21.6582 GPRESSAVG: 713800 16.6314 22.8526 63.5133 19.7808 10.379 -37.4645 58.4612 -35.5815 22.1106 TIMING: 713800 CPU: 2114.99, 0.00295743/step Wall: 2114.99, 0.00295743/step, 3.52115 hours remaining, 205.937500 MB of memory in use. ENERGY: 713800 752.4287 2097.3373 1953.6597 109.4542 -206291.5159 18097.8676 0.0000 0.0000 34386.0114 -148894.7571 300.3016 -183280.7685 -148807.4050 299.9225 125.1991 154.5135 558039.9347 16.4399 16.3737 PRESSURE: 714000 138.554 144.833 107.494 144.831 18.0635 -101.08 107.492 -101.079 173.942 GPRESSURE: 714000 161.079 110.078 96.7477 206.343 61.9089 -103.552 94.4375 -50.2818 204.631 PRESSAVG: 714000 -24.5008 14.3474 28.3248 14.3474 -14.7751 -17.0749 28.3248 -17.0749 36.9117 GPRESSAVG: 714000 -23.1581 12.8508 26.7688 15.2186 -15.18 -18.1675 30.9938 -18.1346 35.7326 TIMING: 714000 CPU: 2115.58, 0.00296536/step Wall: 2115.58, 0.00296536/step, 3.53043 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: 714000 716.7888 2073.2836 1943.9802 108.3930 -206040.2033 17842.6010 0.0000 0.0000 34376.2306 -148978.9262 300.2162 -183355.1567 -148887.7577 299.3416 110.1867 142.5397 557660.0451 -0.7881 -0.8685 PRESSURE: 714200 -15.6931 149.223 -76.6672 149.222 -222.125 -5.03796 -76.6679 -5.03795 -184.354 GPRESSURE: 714200 30.5845 157.802 -201.564 106.729 -247.307 1.5294 17.3077 9.9657 -106.739 PRESSAVG: 714200 2.58773 -19.9171 25.9101 -19.9172 6.60519 -30.9723 25.9101 -30.9724 13.907 GPRESSAVG: 714200 2.18385 -18.2227 26.4211 -22.0004 5.26689 -31.0862 24.6736 -30.9063 15.5501 TIMING: 714200 CPU: 2116.18, 0.00296295/step Wall: 2116.18, 0.00296295/step, 3.5274 hours remaining, 205.937500 MB of memory in use. ENERGY: 714200 791.7871 2059.1099 1949.9608 102.8967 -205710.2067 17678.4976 0.0000 0.0000 34069.1784 -149058.7762 297.5346 -183127.9546 -148964.1035 299.3871 -140.7238 -107.8203 558156.3964 7.7000 7.6669 PRESSURE: 714400 23.6851 -15.1932 14.3864 -15.1943 131.2 -82.9485 14.3861 -82.9492 -61.4827 GPRESSURE: 714400 55.3405 13.677 -16.3543 -50.735 132.785 -115.661 -14.332 -86.49 1.4791 PRESSAVG: 714400 15.8468 -19.3802 28.7404 -19.3802 -13.283 -11.4225 28.7404 -11.4225 0.609318 GPRESSAVG: 714400 14.7475 -20.5717 28.3759 -16.1787 -12.2121 -10.5629 28.6955 -12.0564 0.171329 TIMING: 714400 CPU: 2116.77, 0.00298163/step Wall: 2116.77, 0.00298163/step, 3.54946 hours remaining, 205.937500 MB of memory in use. ENERGY: 714400 729.6603 2055.4763 1942.4495 105.6110 -206015.8777 17875.9337 0.0000 0.0000 34388.7598 -148917.9872 300.3256 -183306.7469 -148821.2405 300.2439 31.1343 63.2015 558086.0301 1.0577 0.9022 PRESSURE: 714600 365.244 -194.792 -125.675 -194.792 17.1478 102.192 -125.674 102.192 137.75 GPRESSURE: 714600 386.14 -146.183 -93.4114 -248.374 70.5068 45.9649 -12.6938 51.4615 167.348 PRESSAVG: 714600 16.637 11.6071 -34.4352 11.607 16.3827 -75.1557 -34.4352 -75.1556 5.8968 GPRESSAVG: 714600 17.1418 11.6437 -35.2661 9.75661 15.7677 -76.1459 -30.9998 -74.0882 5.93911 TIMING: 714600 CPU: 2117.36, 0.00294358/step Wall: 2117.36, 0.00294358/step, 3.504 hours remaining, 205.937500 MB of memory in use. ENERGY: 714600 737.8777 2073.8296 1956.5839 115.0335 -206461.2613 18106.1934 0.0000 0.0000 34576.7647 -148894.9784 301.9675 -183471.7431 -148799.8683 300.1143 173.3807 207.9981 556545.8032 12.9722 12.9495 PRESSURE: 714800 -352.799 47.6421 19.3707 47.6427 176.218 -5.75141 19.3706 -5.7503 -243.927 GPRESSURE: 714800 -270.584 130.27 10.3111 -55.9391 163.943 61.5156 68.9528 -60.3739 -233.524 PRESSAVG: 714800 -8.50325 -9.50378 43.1433 -9.50371 -3.40211 -1.36313 43.1432 -1.36298 -23.453 GPRESSAVG: 714800 -8.94182 -8.42478 45.6406 -9.40294 -2.84288 1.30675 38.4897 -1.99758 -23.9583 TIMING: 714800 CPU: 2117.95, 0.0029582/step Wall: 2117.95, 0.0029582/step, 3.52125 hours remaining, 205.937500 MB of memory in use. ENERGY: 714800 714.2551 2087.2562 1949.0331 114.4040 -205706.0636 17468.2352 0.0000 0.0000 34609.1262 -148763.7537 302.2501 -183372.8799 -148662.9450 300.6024 -140.1693 -113.3883 558577.5425 -11.7861 -11.9143 PRESSURE: 715000 -259.49 88.1184 -203.2 88.118 -92.2204 47.6903 -203.201 47.689 -7.43697 GPRESSURE: 715000 -250.739 78.2475 -230.736 51.6815 49.0204 -10.6301 -217.004 10.9861 -63.6027 PRESSAVG: 715000 -10.5718 36.3985 -1.49999 36.3984 -18.1528 -16.5417 -1.49993 -16.5417 10.3267 GPRESSAVG: 715000 -10.5821 34.8094 -3.52999 38.0277 -18.1184 -18.6419 0.42079 -18.1767 10.1044 TIMING: 715000 CPU: 2118.55, 0.00299103/step Wall: 2118.55, 0.00299103/step, 3.56016 hours remaining, 205.937500 MB of memory in use. ENERGY: 715000 715.3876 2139.7682 1931.8479 113.6103 -205823.8767 17589.5902 0.0000 0.0000 34439.1772 -148894.4953 300.7659 -183333.6725 -148800.6464 300.3317 -119.7157 -88.4406 557605.6554 -6.1326 -6.1987 PRESSURE: 715200 176.812 27.1398 -71.3335 27.14 154.051 109.658 -71.3338 109.66 76.4523 GPRESSURE: 715200 190.012 81.1741 -39.8124 -9.69064 180.097 90.3699 -52.0992 80.2819 140.092 PRESSAVG: 715200 -36.0499 19.8538 -37.7056 19.8538 76.3161 -36.7513 -37.7056 -36.7513 -11.4958 GPRESSAVG: 715200 -36.0641 20.1959 -35.0958 16.7255 75.778 -39.2407 -36.0805 -32.5899 -11.4178 TIMING: 715200 CPU: 2119.15, 0.00297218/step Wall: 2119.15, 0.00297218/step, 3.53755 hours remaining, 205.937500 MB of memory in use. ENERGY: 715200 749.6620 2143.3893 1951.3033 117.8927 -206311.7837 18029.8707 0.0000 0.0000 34423.6772 -148895.9885 300.6305 -183319.6657 -148803.8870 300.3512 135.7718 170.0670 556891.5565 9.5901 9.4320 PRESSURE: 715400 323.196 -178.881 126.363 -178.882 156.592 47.2823 126.364 47.2825 60.1104 GPRESSURE: 715400 375.612 -187.356 154.179 -175.893 144.756 -22.7882 166.512 24.8412 105.789 PRESSAVG: 715400 -9.62614 26.5506 22.0921 26.5505 33.9689 1.19385 22.092 1.19382 -53.9715 GPRESSAVG: 715400 -9.58466 28.4201 20.5633 27.951 33.6183 3.4511 21.8081 -1.57891 -53.9208 TIMING: 715400 CPU: 2119.74, 0.00295255/step Wall: 2119.74, 0.00295255/step, 3.51403 hours remaining, 205.937500 MB of memory in use. ENERGY: 715400 733.5358 2105.6650 1956.4508 113.9662 -206078.5894 17947.0584 0.0000 0.0000 34271.4286 -148950.4846 299.3009 -183221.9131 -148852.1055 300.5400 179.9661 208.7187 557605.9645 -9.8762 -9.9624 PRESSURE: 715600 -29.9758 -147.069 19.4814 -147.069 -38.1585 129.733 19.4819 129.734 -73.2466 GPRESSURE: 715600 13.4938 -143.404 -202.615 -154.606 -27.9806 198.413 80.9722 89.3696 -13.142 PRESSAVG: 715600 15.6507 -50.2326 68.4853 -50.2327 -33.0798 33.9869 68.4853 33.9868 -1.13169 GPRESSAVG: 715600 15.5989 -52.1342 70.0952 -49.555 -31.8495 35.3758 66.631 33.8214 -2.3336 TIMING: 715600 CPU: 2120.33, 0.00294805/step Wall: 2120.33, 0.00294805/step, 3.50851 hours remaining, 205.937500 MB of memory in use. ENERGY: 715600 750.9433 2016.8089 1987.5738 131.9462 -206202.0070 17886.1992 0.0000 0.0000 34318.3432 -149110.1923 299.7106 -183428.5355 -149022.1570 299.4637 -47.1270 -9.2096 558425.3614 -6.1869 -6.1947 PRESSURE: 715800 -255.932 72.1888 -118.366 72.1887 -137.622 -98.9038 -118.366 -98.904 -506.882 GPRESSURE: 715800 -267.52 -71.5832 -82.7564 133.75 -127.235 -130.165 -130.403 -18.9008 -390.477 PRESSAVG: 715800 -100.857 38.6427 -3.4686 38.6427 43.3026 -35.57 -3.46871 -35.5699 20.2056 GPRESSAVG: 715800 -101.307 36.5251 -3.89908 38.3284 41.9008 -37.076 -2.21102 -32.2901 22.1836 TIMING: 715800 CPU: 2120.92, 0.00295528/step Wall: 2120.92, 0.00295528/step, 3.51695 hours remaining, 205.937500 MB of memory in use. ENERGY: 715800 782.6602 2055.9868 1963.6288 128.0189 -205997.6096 17567.3555 0.0000 0.0000 34220.9138 -149279.0457 298.8598 -183499.9595 -149185.2883 299.4056 -300.1453 -261.7441 559593.9499 -12.4497 -12.4077 PRESSURE: 716000 139.836 -14.7815 31.5512 -14.7811 -12.6557 -25.513 31.5524 -25.5125 198.467 GPRESSURE: 716000 185.521 -69.1268 52.5471 50.5859 38.2495 -96.954 75.641 62.1887 187.582 PRESSAVG: 716000 -12.9719 -60.1023 1.49449 -60.1023 56.9572 -28.9879 1.49452 -28.9878 -52.9433 GPRESSAVG: 716000 -12.2055 -58.9613 2.60904 -60.6564 58.1521 -28.1787 0.818777 -31.5468 -54.5638 TIMING: 716000 CPU: 2121.51, 0.00298373/step Wall: 2121.51, 0.00298373/step, 3.55064 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: 716000 758.3390 2132.3741 1954.2454 119.4077 -206495.4005 17954.6734 0.0000 0.0000 34257.1831 -149319.1779 299.1765 -183576.3610 -149224.8391 299.0014 108.5492 137.1176 558265.2259 -2.9860 -2.8724 PRESSURE: 716200 279.118 -70.7271 -117.394 -70.7258 38.2123 45.3381 -117.393 45.3395 73.5064 GPRESSURE: 716200 252.498 -84.2684 -101.453 -13.8373 87.4594 76.8867 -92.7871 136.032 154.593 PRESSAVG: 716200 -23.723 -13.6622 -19.784 -13.6622 -0.685512 -19.2208 -19.784 -19.2208 28.4406 GPRESSAVG: 716200 -24.1755 -12.8219 -21.0297 -14.3978 -1.93435 -18.1182 -19.8999 -20.474 30.4325 TIMING: 716200 CPU: 2122.11, 0.00297552/step Wall: 2122.11, 0.00297552/step, 3.5407 hours remaining, 205.937500 MB of memory in use. ENERGY: 716200 745.9443 2070.9233 1954.7891 112.0405 -206620.9372 18190.1497 0.0000 0.0000 34374.9067 -149172.1836 300.2046 -183547.0903 -149076.0371 298.9807 130.2789 164.8503 556041.7483 1.3440 1.4409 LDB: ============= START OF LOAD BALANCING ============== 2125.54 LDB: ============== END OF LOAD BALANCING =============== 2125.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2125.54 LDB: ============= START OF LOAD BALANCING ============== 2125.83 LDB: Largest compute 4820 load 0.032225 is 27.4% of average load 0.117793 LDB: Average compute 0.001733 is 1.5% of average load 0.117793 LDB: TIME 2125.83 LOAD: AVG 0.117793 MAX 0.198428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.766 MB LDB: TIME 2125.84 LOAD: AVG 0.117793 MAX 0.198428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: TIME 2125.84 LOAD: AVG 0.117793 MAX 0.198428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.969 MB LDB: ============== END OF LOAD BALANCING =============== 2125.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2125.84 PRESSURE: 716400 126.68 -116.034 65.5359 -116.034 109.858 -65.7214 65.536 -65.7209 -65.8037 GPRESSURE: 716400 103.83 -119.443 54.8108 -108.681 158.572 -70.5014 190.283 -46.3433 9.51938 PRESSAVG: 716400 -38.2217 -35.582 33.2034 -35.5819 -20.3909 38.81 33.2034 38.81 85.0615 GPRESSAVG: 716400 -38.1955 -37.3023 34.2298 -32.3763 -18.463 36.9963 31.9048 39.9425 83.2768 TIMING: 716400 CPU: 2122.71, 0.00301199/step Wall: 2122.71, 0.00301199/step, 3.58394 hours remaining, 205.937500 MB of memory in use. ENERGY: 716400 737.8438 2104.3949 1977.3895 99.0788 -206347.0875 18039.4318 0.0000 0.0000 34234.0381 -149154.9104 298.9744 -183388.9485 -149055.1066 299.8455 56.9114 90.6403 557941.8497 8.8163 8.8728 PRESSURE: 716600 -199.747 -71.0233 21.3397 -71.0233 -293.691 -316.393 21.3397 -316.391 28.3632 GPRESSURE: 716600 -162.589 -112.632 33.2613 -61.1453 -235.666 -243.526 30.4247 -272.753 23.3789 PRESSAVG: 716600 27.4773 -29.8265 15.0593 -29.8266 -29.5468 -9.0274 15.0593 -9.02738 6.60485 GPRESSAVG: 716600 28.4121 -29.3759 13.9426 -30.3131 -32.016 -8.39499 14.5975 -8.58367 8.08884 TIMING: 716600 CPU: 2123.3, 0.00294022/step Wall: 2123.3, 0.00294022/step, 3.49838 hours remaining, 205.937500 MB of memory in use. ENERGY: 716600 759.3159 2116.7989 1954.7873 115.6429 -205997.4110 17627.6044 0.0000 0.0000 34276.0272 -149147.2344 299.3411 -183423.2616 -149046.0022 299.5679 -155.0249 -124.9589 557151.4850 1.5118 1.4950 PRESSURE: 716800 -121.218 33.8549 92.8403 33.8561 -270.305 75.1824 92.8401 75.1834 -123.816 GPRESSURE: 716800 -66.6514 -49.3894 29.8666 11.2607 -281.823 39.3811 93.0472 117.355 -69.0031 PRESSAVG: 716800 30.8401 -0.526569 -18.9546 -0.526513 -13.6029 -17.8718 -18.9547 -17.8719 -4.75937 GPRESSAVG: 716800 30.6527 0.0352574 -21.1265 -1.9837 -12.8485 -18.5815 -14.7361 -19.7267 -4.83511 TIMING: 716800 CPU: 2123.89, 0.0029757/step Wall: 2123.89, 0.0029757/step, 3.54043 hours remaining, 205.937500 MB of memory in use. ENERGY: 716800 769.2811 2179.4076 1906.9238 107.7616 -206118.2647 17817.7622 0.0000 0.0000 34118.9975 -149218.1309 297.9697 -183337.1284 -149128.1938 299.7209 -171.7794 -139.1591 558696.8045 4.1593 4.3230 PRESSURE: 717000 -187.08 104.044 104.94 104.044 17.5209 -146.069 104.939 -146.069 -243.703 GPRESSURE: 717000 -200.908 82.9292 97.8776 94.1967 57.4276 -38.254 126.26 -176.363 -177.887 PRESSAVG: 717000 40.8961 44.1355 27.4339 44.1355 56.9865 42.5786 27.4338 42.5786 -83.2198 GPRESSAVG: 717000 40.8377 44.055 28.2607 44.0995 57.9359 42.9713 24.1533 44.3331 -84.5893 TIMING: 717000 CPU: 2124.49, 0.00299091/step Wall: 2124.49, 0.00299091/step, 3.55835 hours remaining, 205.937500 MB of memory in use. ENERGY: 717000 727.2299 2098.8710 1937.3916 111.3453 -205690.9616 17444.2357 0.0000 0.0000 34279.7085 -149092.1797 299.3732 -183371.8882 -148986.6298 299.3928 -137.7539 -107.1225 557046.3638 4.8876 4.7281 PRESSURE: 717200 42.3799 31.3985 -176.518 31.3978 88.1233 -165.542 -176.519 -165.544 26.6761 GPRESSURE: 717200 58.8032 75.2546 -135.18 61.3825 111.634 -153.622 -172.344 -135.78 71.3033 PRESSAVG: 717200 2.67268 43.4956 13.2621 43.4956 80.8635 25.237 13.2621 25.237 -51.3715 GPRESSAVG: 717200 2.72643 45.2837 13.3988 42.4679 80.4646 24.6007 14.8546 25.4728 -50.8162 TIMING: 717200 CPU: 2125.1, 0.00301306/step Wall: 2125.1, 0.00301306/step, 3.58453 hours remaining, 205.937500 MB of memory in use. ENERGY: 717200 707.3131 2116.9501 1948.9728 96.8804 -206177.2401 17786.1889 0.0000 0.0000 34390.0470 -149130.8878 300.3368 -183520.9348 -149032.3699 299.0707 52.3931 80.5803 556799.0420 10.7216 10.7916 PRESSURE: 717400 -185.051 -138.404 51.7594 -138.403 23.82 -11.7013 51.7585 -11.7041 39.1661 GPRESSURE: 717400 -137.955 -117.626 52.4898 -120.085 40.26 29.8199 81.5514 -8.84571 74.8371 PRESSAVG: 717400 0.984098 -2.96477 -85.9747 -2.96486 54.6998 -15.2359 -85.9747 -15.236 -61.0977 GPRESSAVG: 717400 -0.0395222 -3.31273 -86.2558 -2.38205 55.3814 -16.3473 -86.6349 -15.008 -61.0411 TIMING: 717400 CPU: 2125.69, 0.00298328/step Wall: 2125.69, 0.00298328/step, 3.54894 hours remaining, 205.937500 MB of memory in use. ENERGY: 717400 752.9046 2136.2228 1952.6848 114.1479 -205969.0364 17649.7653 0.0000 0.0000 34397.0782 -148966.2329 300.3982 -183363.3111 -148876.0273 299.8005 -40.6885 -7.6194 556859.9105 -1.8046 -1.8997 PRESSURE: 717600 -287.752 -148.201 0.805659 -148.2 -229.49 -13.6705 0.805252 -13.6691 -368.91 GPRESSURE: 717600 -274.832 -126.893 0.633758 -222.201 -208.844 -85.6043 57.4611 57.3244 -304.617 PRESSAVG: 717600 -28.5792 -18.4518 0.111749 -18.4517 52.4549 -5.33742 0.111705 -5.33736 -18.3011 GPRESSAVG: 717600 -27.8901 -19.4156 2.54786 -16.4643 51.109 -4.10173 0.0611578 -6.88749 -18.3696 TIMING: 717600 CPU: 2126.29, 0.00299539/step Wall: 2126.29, 0.00299539/step, 3.56318 hours remaining, 205.937500 MB of memory in use. ENERGY: 717600 770.8051 2126.5261 1954.4699 128.2596 -205632.8276 17431.0813 0.0000 0.0000 34246.5009 -148975.1848 299.0832 -183221.6857 -148880.9666 299.5957 -295.3844 -262.7641 557916.0043 1.8582 1.6164 PRESSURE: 717800 -183.59 2.28735 37.9995 2.28821 -179.721 -87.6374 38.0005 -87.638 -229.64 GPRESSURE: 717800 -108.407 77.7925 -27.4957 -22.5803 -172.055 -104.448 76.8964 -15.9011 -220.659 PRESSAVG: 717800 -35.2849 -13.9853 -24.0887 -13.9851 56.0668 22.8104 -24.0887 22.8104 16.6717 GPRESSAVG: 717800 -35.5412 -14.7564 -26.9103 -16.6209 56.3336 23.5901 -23.2462 23.8162 16.8873 TIMING: 717800 CPU: 2126.89, 0.00298845/step Wall: 2126.89, 0.00298845/step, 3.55476 hours remaining, 205.937500 MB of memory in use. ENERGY: 717800 772.7861 2124.7318 1965.2782 117.3099 -205591.0521 17316.8493 0.0000 0.0000 34395.8796 -148898.2171 300.3878 -183294.0967 -148803.2309 299.8014 -197.6502 -167.0401 558359.5301 12.4846 12.5599 PRESSURE: 718000 -95.5191 -35.0677 -61.0882 -35.0667 -121.538 54.2464 -61.0878 54.2454 -231.241 GPRESSURE: 718000 -48.9632 21.9171 -81.4083 -57.995 -131.099 45.2263 -45.0672 119.915 -166.109 PRESSAVG: 718000 -20.2796 19.3187 -13.834 19.3186 4.63826 50.5569 -13.834 50.5569 -7.03813 GPRESSAVG: 718000 -21.3192 20.0549 -13.9609 21.2722 4.74827 49.6206 -15.8717 49.5736 -6.47891 TIMING: 718000 CPU: 2127.48, 0.00297173/step Wall: 2127.48, 0.00297173/step, 3.53471 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: 718000 761.3278 2123.0361 1932.2677 111.5638 -205929.7103 17687.8104 0.0000 0.0000 34384.4611 -148929.2433 300.2881 -183313.7044 -148836.5701 301.0101 -149.4328 -115.3906 558782.0706 -7.5598 -7.6833 PRESSURE: 718200 -70.1507 -121.75 -82.5487 -121.75 -94.8364 38.4227 -82.5483 38.421 -151.756 GPRESSURE: 718200 -70.4837 -31.9587 -88.3377 -173.433 -52.0638 63.1321 3.24954 18.2273 -98.4513 PRESSAVG: 718200 -8.97699 23.5358 13.1008 23.5357 -36.3388 19.5641 13.1009 19.5641 24.6866 GPRESSAVG: 718200 -8.64842 22.5747 15.1443 23.7014 -36.8482 20.3594 13.6725 19.6323 24.6185 TIMING: 718200 CPU: 2128.07, 0.00295658/step Wall: 2128.07, 0.00295658/step, 3.51652 hours remaining, 205.937500 MB of memory in use. ENERGY: 718200 783.0947 2073.2091 1927.8498 109.1947 -205854.0386 17603.1363 0.0000 0.0000 34277.5062 -149080.0478 299.3540 -183357.5540 -148988.5575 299.9016 -105.5810 -73.6663 557732.5167 -6.8764 -6.9594 PRESSURE: 718400 -44.3144 -40.418 204.349 -40.418 145.623 -83.6815 204.349 -83.6808 -24.0944 GPRESSURE: 718400 -29.6298 -93.6656 242.226 -0.0739281 182.844 -147.201 161.908 -102.418 24.0325 PRESSAVG: 718400 -75.7833 -2.0058 -21.6132 -2.00586 74.8963 -25.6025 -21.6132 -25.6026 8.61999 GPRESSAVG: 718400 -74.7691 -1.78046 -21.2324 -3.74202 75.3488 -28.0184 -21.6033 -25.6012 7.32005 TIMING: 718400 CPU: 2128.67, 0.00297543/step Wall: 2128.67, 0.00297543/step, 3.53877 hours remaining, 205.937500 MB of memory in use. ENERGY: 718400 731.2781 2103.0591 1935.4167 110.6735 -206163.3002 17898.4224 0.0000 0.0000 34332.0520 -149052.3984 299.8303 -183384.4504 -148959.5213 299.5613 25.7381 59.0822 557070.9490 2.5777 2.6332 PRESSURE: 718600 -435.02 -2.5489 51.9296 -2.55066 -128.974 -130.111 51.9293 -130.111 -236.679 GPRESSURE: 718600 -367.868 61.6269 -0.121597 -8.16672 -138.149 -149.574 105.035 -150.797 -196.795 PRESSAVG: 718600 1.32929 42.092 47.8494 42.0921 -26.226 -37.9539 47.8493 -37.9539 -16.7698 GPRESSAVG: 718600 1.67422 41.8321 46.1276 44.298 -26.4591 -37.6717 50.4851 -36.5148 -16.588 TIMING: 718600 CPU: 2129.26, 0.00294717/step Wall: 2129.26, 0.00294717/step, 3.505 hours remaining, 205.937500 MB of memory in use. ENERGY: 718600 755.4662 2112.3313 1946.6417 119.5345 -205739.0377 17356.4323 0.0000 0.0000 34215.1209 -149233.5108 298.8092 -183448.6317 -149145.6880 299.5394 -266.8913 -234.2705 557721.7810 -13.8888 -13.7910 PRESSURE: 718800 -75.1306 36.5387 94.7047 36.539 43.8785 -105.212 94.7049 -105.211 -87.7768 GPRESSURE: 718800 -52.3752 31.0691 65.1886 84.2119 88.8979 -85.1653 134.241 -45.141 -47.4015 PRESSAVG: 718800 -24.5683 23.2077 -13.5698 23.2077 -13.4165 -25.2187 -13.5699 -25.2187 25.3786 GPRESSAVG: 718800 -24.7828 24.853 -12.1097 22.256 -13.9516 -22.8094 -16.8199 -25.7827 26.0978 TIMING: 718800 CPU: 2129.85, 0.00295816/step Wall: 2129.85, 0.00295816/step, 3.51791 hours remaining, 205.937500 MB of memory in use. ENERGY: 718800 762.1822 2073.8611 1959.0876 115.4522 -206589.5108 17911.0600 0.0000 0.0000 34399.4358 -149368.4319 300.4188 -183767.8677 -149266.9954 299.3093 -39.6763 -3.6262 557494.8548 -4.2021 -4.2122 PRESSURE: 719000 167.797 14.943 -7.61745 14.9427 182.85 -173.74 -7.61718 -173.741 47.4665 GPRESSURE: 719000 267.494 25.3511 -47.0899 6.19087 160.838 -157.867 10.7546 -88.6181 65.4762 PRESSAVG: 719000 38.3303 -12.3039 -45.094 -12.304 -44.8963 -103.547 -45.094 -103.548 -12.7018 GPRESSAVG: 719000 37.5729 -12.7951 -48.144 -13.9176 -44.4755 -104.773 -42.827 -102.692 -12.8494 TIMING: 719000 CPU: 2130.45, 0.00297727/step Wall: 2130.45, 0.00297727/step, 3.54047 hours remaining, 205.937500 MB of memory in use. ENERGY: 719000 693.4950 2082.5983 1973.2520 122.2868 -206583.9623 18094.2708 0.0000 0.0000 34126.6404 -149491.4190 298.0364 -183618.0593 -149401.2609 298.6917 132.7045 164.6027 557766.0067 -6.4226 -6.5840 PRESSURE: 719200 95.609 -112.217 62.6993 -112.218 -195.838 -103.909 62.701 -103.907 -86.9151 GPRESSURE: 719200 99.4033 -92.7147 18.0907 -122.402 -128.129 -142.006 77.8232 -95.0937 -62.2808 PRESSAVG: 719200 35.4734 -3.33189 -12.987 -3.332 -32.5449 -19.7819 -12.987 -19.7817 -20.1028 GPRESSAVG: 719200 35.8655 -4.1325 -13.8418 -2.80431 -33.1387 -18.5439 -13.0251 -20.1899 -20.2752 TIMING: 719200 CPU: 2131.04, 0.00294384/step Wall: 2131.04, 0.00294384/step, 3.50055 hours remaining, 205.937500 MB of memory in use. ENERGY: 719200 744.1741 2040.1685 1954.9686 111.4789 -206269.8850 17790.5479 0.0000 0.0000 34279.3326 -149349.2143 299.3699 -183628.5469 -149246.3572 298.7275 -62.3814 -30.3353 558604.7465 -5.7248 -5.8495 PRESSURE: 719400 -71.1369 -38.3602 21.2826 -38.3605 -215.242 -119.847 21.2827 -119.846 11.54 GPRESSURE: 719400 -32.7726 -67.402 21.8007 -60.6749 -148.139 -52.3072 60.9616 -73.0294 20.7667 PRESSAVG: 719400 37.9208 -13.1502 18.2652 -13.1501 -7.243 -27.9228 18.2652 -27.9227 -2.03809 GPRESSAVG: 719400 37.1025 -14.1829 21.2607 -11.9309 -5.7061 -27.5656 16.8506 -28.0048 -1.83752 TIMING: 719400 CPU: 2131.62, 0.00293669/step Wall: 2131.62, 0.00293669/step, 3.49188 hours remaining, 205.937500 MB of memory in use. ENERGY: 719400 725.0162 2082.2428 1958.1444 113.1350 -205844.0907 17529.2086 0.0000 0.0000 34176.1139 -149260.2298 298.4685 -183436.3437 -149159.8392 298.5425 -91.6129 -53.3815 556780.7424 9.5466 9.8529 PRESSURE: 719600 -223.768 122.904 -72.4551 122.905 -178.88 158.828 -72.4544 158.827 -68.7763 GPRESSURE: 719600 -139.07 215.076 -132.702 129.906 -159.283 206.101 -38.7909 143.471 -88.7996 PRESSAVG: 719600 12.2785 -8.62348 -25.4569 -8.62338 56.4655 -21.8183 -25.4569 -21.8182 -21.8283 GPRESSAVG: 719600 13.0627 -8.93038 -26.9557 -9.15282 54.8557 -23.3114 -23.3486 -22.685 -21.7003 TIMING: 719600 CPU: 2132.21, 0.00295557/step Wall: 2132.21, 0.00295557/step, 3.51417 hours remaining, 205.937500 MB of memory in use. ENERGY: 719600 768.8227 2060.5418 1989.7012 113.0037 -205893.3786 17597.7302 0.0000 0.0000 34261.4192 -149102.1599 299.2135 -183363.5791 -149004.7119 298.8239 -157.1415 -129.0510 557005.8888 15.6385 15.4060 PRESSURE: 719800 72.0323 12.6229 36.2165 12.6229 -137.457 -98.5304 36.2146 -98.5291 71.3522 GPRESSURE: 719800 65.6643 61.4753 -16.4511 -15.5853 -62.952 -112.912 66.0644 -88.0339 98.0941 PRESSAVG: 719800 -75.5518 7.14075 -3.2083 7.14071 8.60706 0.404419 -3.20836 0.404388 62.0975 GPRESSAVG: 719800 -74.8812 8.77344 -3.16998 6.66554 10.1812 -0.456319 -5.04556 0.936017 59.8625 TIMING: 719800 CPU: 2132.8, 0.00295381/step Wall: 2132.8, 0.00295381/step, 3.51191 hours remaining, 205.937500 MB of memory in use. ENERGY: 719800 735.9222 2111.2549 1955.4615 107.1263 -206011.3721 17797.2042 0.0000 0.0000 34233.5785 -149070.8245 298.9704 -183304.4030 -148972.4908 300.1207 1.9758 33.6021 555923.3977 -1.6157 -1.6125 PRESSURE: 720000 115.503 82.9097 -151.227 82.9089 287.791 57.5739 -151.228 57.5722 50.8145 GPRESSURE: 720000 140.145 76.1609 -94.7605 32.8894 266.323 98.7116 -97.3125 22.5806 158.925 PRESSAVG: 720000 -7.43022 -14.5693 36.0618 -14.5694 -0.93793 19.8692 36.0618 19.8693 0.300343 GPRESSAVG: 720000 -9.22007 -14.4346 37.5699 -14.8271 -2.64645 19.7654 36.2577 20.5698 3.25616 TIMING: 720000 CPU: 2133.4, 0.00296531/step Wall: 2133.4, 0.00296531/step, 3.52542 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: 720000 730.5621 2132.3858 1959.3140 111.5275 -206591.9042 18099.6588 0.0000 0.0000 34306.7314 -149251.7247 299.6092 -183558.4560 -149157.1909 299.7398 151.3697 188.4645 555568.2659 -2.6893 -2.8701 PRESSURE: 720200 -7.94991 -48.1978 -40.2213 -48.197 -191.373 95.581 -40.2218 95.5815 -73.3943 GPRESSURE: 720200 25.2862 -19.5597 -49.2098 -9.96547 -177.655 61.3338 -76.353 61.5921 -13.4613 PRESSAVG: 720200 -0.369629 -27.9784 6.3919 -27.9784 61.2445 59.0973 6.39185 59.0973 -77.73 GPRESSAVG: 720200 0.0616913 -28.299 6.63407 -27.7387 61.8991 58.3222 5.79497 58.2388 -79.3073 TIMING: 720200 CPU: 2133.99, 0.00297914/step Wall: 2133.99, 0.00297914/step, 3.5417 hours remaining, 205.937500 MB of memory in use. ENERGY: 720200 746.8013 2078.3803 1947.9848 113.7056 -205893.7477 17637.5169 0.0000 0.0000 34189.8523 -149179.5065 298.5885 -183369.3588 -149084.2779 298.9439 -90.9056 -55.2767 556951.7688 -5.6184 -5.7822 LDB: ============= START OF LOAD BALANCING ============== 2137.42 LDB: ============== END OF LOAD BALANCING =============== 2137.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2137.43 LDB: ============= START OF LOAD BALANCING ============== 2137.73 LDB: Largest compute 4820 load 0.030416 is 25.8% of average load 0.117851 LDB: Average compute 0.001733 is 1.5% of average load 0.117851 LDB: TIME 2137.73 LOAD: AVG 0.117851 MAX 0.199963 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 2137.73 LOAD: AVG 0.117851 MAX 0.199963 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: TIME 2137.73 LOAD: AVG 0.117851 MAX 0.199963 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.633 MB LDB: ============== END OF LOAD BALANCING =============== 2137.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2137.74 PRESSURE: 720400 280.25 56.5675 -13.063 56.5671 -319.069 -1.74529 -13.0641 -1.74453 -303.38 GPRESSURE: 720400 274.786 -7.17672 -13.7346 105.775 -236.172 -27.8415 27.1543 35.9894 -288.183 PRESSAVG: 720400 -39.8575 -13.1306 12.8061 -13.1307 57.4829 -27.2598 12.8061 -27.2599 12.9069 GPRESSAVG: 720400 -40.3638 -15.164 12.7444 -10.2811 58.2192 -27.9317 12.261 -27.1656 13.0033 TIMING: 720400 CPU: 2134.61, 0.00306871/step Wall: 2134.61, 0.00306871/step, 3.64801 hours remaining, 205.738281 MB of memory in use. ENERGY: 720400 745.3112 2128.0628 1933.6973 101.1664 -205903.2866 17481.3748 0.0000 0.0000 34278.2014 -149235.4727 299.3601 -183513.6742 -149141.3924 299.2358 -114.0664 -83.1897 556672.9654 10.1774 10.2862 PRESSURE: 720600 17.4836 -105.514 69.817 -105.515 -60.9365 -113.885 69.8182 -113.886 60.0724 GPRESSURE: 720600 9.16804 -10.9108 46.1045 -118.624 41.1901 -108.861 131.166 -167.72 53.5188 PRESSAVG: 720600 7.38372 -7.52429 6.15594 -7.52435 -32.2937 -14.1838 6.15595 -14.1838 33.8032 GPRESSAVG: 720600 7.9811 -8.03323 4.35673 -9.71602 -33.4939 -13.0261 6.27537 -15.7558 34.1684 TIMING: 720600 CPU: 2135.2, 0.00297367/step Wall: 2135.2, 0.00297367/step, 3.53486 hours remaining, 205.937500 MB of memory in use. ENERGY: 720600 710.5676 2095.5155 1909.9815 110.5029 -206006.7883 17679.3068 0.0000 0.0000 34227.6575 -149273.2565 298.9186 -183500.9140 -149178.2653 299.1412 5.5398 34.6256 556580.8788 2.9644 2.8852 PRESSURE: 720800 -34.1265 -191.005 62.7562 -191.006 81.1438 43.2296 62.7568 43.2307 153.178 GPRESSURE: 720800 11.9105 -162.306 -11.9265 -128.323 80.9514 164.003 60.7675 -34.7877 201.928 PRESSAVG: 720800 -11.8423 -34.7289 85.8217 -34.7288 11.1473 19.2872 85.8218 19.2873 27.0318 GPRESSAVG: 720800 -13.4078 -33.8598 86.3506 -34.2618 13.1172 21.4772 86.1019 19.4866 26.7374 TIMING: 720800 CPU: 2135.8, 0.00297811/step Wall: 2135.8, 0.00297811/step, 3.53998 hours remaining, 205.937500 MB of memory in use. ENERGY: 720800 754.2592 2038.2836 1953.0356 119.1133 -206309.6493 17889.7697 0.0000 0.0000 34285.7841 -149269.4038 299.4263 -183555.1879 -149164.5708 298.2183 66.7317 98.2634 557048.3600 8.7789 8.8156 PRESSURE: 721000 -79.831 -16.1421 119.921 -16.1423 -117.226 -19.8993 119.922 -19.8999 212.779 GPRESSURE: 721000 -34.8181 -63.1513 87.0967 24.4247 -105.221 -53.9047 169.401 -5.02426 251.546 PRESSAVG: 721000 -41.9581 -22.9179 -5.71811 -22.9179 -16.9604 -57.3878 -5.71819 -57.3878 18.8376 GPRESSAVG: 721000 -40.2098 -22.7117 -5.61588 -23.0306 -18.7146 -60.2841 -7.12849 -57.0988 19.2414 TIMING: 721000 CPU: 2136.39, 0.0029724/step Wall: 2136.39, 0.0029724/step, 3.53303 hours remaining, 205.937500 MB of memory in use. ENERGY: 721000 746.5294 2128.4836 1968.2282 125.1922 -206207.8397 17843.8428 0.0000 0.0000 34304.1509 -149091.4126 299.5867 -183395.5634 -148999.2322 299.4011 5.2407 37.1691 557755.8082 -13.3603 -13.2277 PRESSURE: 721200 -144.152 205.665 84.9092 205.665 33.8716 -10.6455 84.9078 -10.6434 -289.819 GPRESSURE: 721200 -121.151 210.31 50.0361 192.18 26.238 16.0389 135.119 -14.3211 -213.474 PRESSAVG: 721200 16.3972 15.7483 23.2309 15.7484 -21.9237 -21.1038 23.2308 -21.104 13.8143 GPRESSAVG: 721200 17.2156 14.514 24.2196 16.2946 -22.6491 -20.2401 24.1643 -21.9268 14.2015 TIMING: 721200 CPU: 2136.99, 0.0029682/step Wall: 2136.99, 0.0029682/step, 3.52787 hours remaining, 205.937500 MB of memory in use. ENERGY: 721200 709.5091 2112.8882 1934.0230 114.4074 -205903.5465 17649.9870 0.0000 0.0000 34299.1577 -149083.5741 299.5431 -183382.7318 -148984.4892 300.0358 -133.3665 -102.7957 557912.1671 2.7626 2.9227 PRESSURE: 721400 -129.73 -88.9435 59.4982 -88.9438 -109.372 -45.1255 59.4978 -45.1251 -52.8353 GPRESSURE: 721400 -87.3459 -121.498 43.7353 -37.6424 -110.329 -8.6632 44.8467 -47.5252 12.1455 PRESSAVG: 721400 -76.5772 -25.4231 44.0056 -25.4231 19.4422 -47.6173 44.0056 -47.6173 31.3043 GPRESSAVG: 721400 -76.4464 -24.5634 43.5097 -25.9018 20.0336 -46.9743 44.5893 -47.92 30.6557 TIMING: 721400 CPU: 2137.58, 0.00296998/step Wall: 2137.58, 0.00296998/step, 3.52982 hours remaining, 205.937500 MB of memory in use. ENERGY: 721400 736.9676 2062.6310 1970.8184 105.1033 -205816.6545 17571.4378 0.0000 0.0000 34341.9403 -149027.7561 299.9167 -183369.6965 -148931.0678 299.7799 -97.3127 -61.8432 558771.2694 -8.6102 -8.5857 PRESSURE: 721600 94.036 -22.9632 -12.9472 -22.9632 -2.39451 70.5108 -12.9479 70.51 55.1871 GPRESSURE: 721600 88.0009 23.9627 -30.6341 -15.6535 78.6567 19.4018 31.0683 84.2688 68.8079 PRESSAVG: 721600 -28.0158 10.72 -7.77472 10.72 -6.75244 -25.3704 -7.77466 -25.3704 30.609 GPRESSAVG: 721600 -27.0641 11.6889 -8.22415 10.2619 -7.88728 -26.1615 -7.94119 -24.5153 30.6989 TIMING: 721600 CPU: 2138.18, 0.00298193/step Wall: 2138.18, 0.00298193/step, 3.54386 hours remaining, 205.937500 MB of memory in use. ENERGY: 721600 773.7713 2076.2439 1947.6550 104.6152 -206245.0455 17949.9532 0.0000 0.0000 34390.4266 -149002.3803 300.3401 -183392.8069 -148914.3697 299.4657 48.9429 78.4885 557853.8876 -1.3864 -1.4175 PRESSURE: 721800 155.401 -20.9114 22.932 -20.9109 166.004 -63.2759 22.9303 -63.2762 -115.67 GPRESSURE: 721800 198.231 -71.4907 113.569 -13.4652 138.844 -81.0881 7.56879 -78.8292 -49.1092 PRESSAVG: 721800 -56.7559 12.5229 -11.6906 12.523 17.2352 -9.09752 -11.6907 -9.09745 5.53509 GPRESSAVG: 721800 -57.7118 12.3966 -10.3545 12.4302 16.4066 -8.20768 -13.6162 -10.3835 7.36042 TIMING: 721800 CPU: 2138.77, 0.00297438/step Wall: 2138.77, 0.00297438/step, 3.53472 hours remaining, 205.937500 MB of memory in use. ENERGY: 721800 732.7648 2127.6164 1938.6565 115.9071 -206430.1540 17947.0792 0.0000 0.0000 34456.3030 -149111.8270 300.9155 -183568.1300 -149019.7273 299.9148 68.5785 95.9885 557801.1737 -11.3285 -11.3149 PRESSURE: 722000 479.785 -59.2638 58.4207 -59.263 104.255 -25.5236 58.4199 -25.525 65.8275 GPRESSURE: 722000 516.015 -43.6698 -15.7897 -13.2422 168.908 24.126 53.274 -100.267 52.8246 PRESSAVG: 722000 71.9429 9.93399 -7.13204 9.93398 -32.3302 -24.1054 -7.132 -24.1054 -28.5679 GPRESSAVG: 722000 73.0185 10.7134 -8.44152 11.0548 -31.1241 -22.4465 -5.23988 -24.994 -30.6114 TIMING: 722000 CPU: 2139.36, 0.00296188/step Wall: 2139.36, 0.00296188/step, 3.51971 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: 722000 773.5877 2091.5866 1970.2901 112.1514 -206517.1237 18213.9781 0.0000 0.0000 34354.2880 -149001.2418 300.0245 -183355.5297 -148908.1277 300.2448 216.6224 245.9161 558089.0561 3.6816 3.7610 PRESSURE: 722200 112.328 302.405 110.21 302.404 6.21726 -179.933 110.212 -179.935 303.213 GPRESSURE: 722200 114.568 276.413 186.619 261.631 47.5273 -228.586 73.6286 -210.982 338.869 PRESSAVG: 722200 28.381 -3.05981 -17.9003 -3.05977 17.6889 -100.423 -17.9002 -100.423 10.7432 GPRESSAVG: 722200 26.6946 -2.35552 -16.2951 -4.77745 19.2503 -101.257 -20.5962 -98.8985 10.6211 TIMING: 722200 CPU: 2139.96, 0.00296509/step Wall: 2139.96, 0.00296509/step, 3.52335 hours remaining, 205.937500 MB of memory in use. ENERGY: 722200 717.1261 2079.8225 1958.1096 126.1079 -206066.2334 18023.6226 0.0000 0.0000 34072.6697 -149088.7751 297.5651 -183161.4447 -148996.4132 299.8567 140.5862 166.9879 557120.1386 18.9377 18.8554 PRESSURE: 722400 72.1016 46.744 57.7917 46.7441 -11.1806 -41.2804 57.7903 -41.2805 -54.8115 GPRESSURE: 722400 86.4338 110.526 58.6099 23.3039 68.5396 -33.8024 18.6138 -132.295 -55.4378 PRESSAVG: 722400 59.9078 -2.7043 19.4642 -2.70422 -47.406 -55.2981 19.4642 -55.2981 11.8129 GPRESSAVG: 722400 60.933 -2.23068 20.0562 -2.57378 -48.7238 -56.0749 20.3114 -56.2658 11.4777 TIMING: 722400 CPU: 2140.55, 0.00296314/step Wall: 2140.55, 0.00296314/step, 3.52087 hours remaining, 205.937500 MB of memory in use. ENERGY: 722400 740.4586 2095.8789 1928.3685 114.9781 -206233.2501 17797.0677 0.0000 0.0000 34532.0778 -149024.4204 301.5772 -183556.4983 -148932.5955 299.3508 2.0365 33.1785 556654.5729 8.1049 7.8956 PRESSURE: 722600 -125.298 -32.5614 -6.52942 -32.5608 184.981 -212.679 -6.53038 -212.679 -40.4104 GPRESSURE: 722600 -60.1332 -1.48624 -63.64 -123.594 201.95 -221.053 48.6278 -199.372 -13.5669 PRESSAVG: 722600 46.2504 32.8327 -12.4755 32.8327 -60.5844 -12.5335 -12.4755 -12.5334 1.46666 GPRESSAVG: 722600 45.411 30.4552 -13.8314 32.3691 -61.3952 -13.3421 -12.0486 -11.1259 2.59071 TIMING: 722600 CPU: 2141.15, 0.00298511/step Wall: 2141.15, 0.00298511/step, 3.5468 hours remaining, 205.937500 MB of memory in use. ENERGY: 722600 741.8438 2082.7820 1937.7821 97.4494 -205840.7943 17680.2452 0.0000 0.0000 34227.4586 -149073.2332 298.9169 -183300.6917 -148972.4962 299.6838 6.4240 42.7501 556023.7319 -4.2891 -4.4645 PRESSURE: 722800 -122.355 118.668 -249.454 118.668 -220.661 20.3874 -249.453 20.3872 -112.008 GPRESSURE: 722800 -33.7031 129.179 -230.803 48.3563 -180.669 11.9824 -260.66 94.1533 -134.247 PRESSAVG: 722800 -59.8499 -40.0522 8.61949 -40.0522 21.2787 -15.7417 8.61952 -15.7417 22.0759 GPRESSAVG: 722800 -58.9009 -40.5355 8.0202 -39.8145 20.5412 -14.485 9.50792 -18.7321 22.4604 TIMING: 722800 CPU: 2141.74, 0.002966/step Wall: 2141.74, 0.002966/step, 3.52394 hours remaining, 205.937500 MB of memory in use. ENERGY: 722800 779.3374 2101.2246 1940.5283 113.3408 -206107.9011 17832.2778 0.0000 0.0000 34223.7059 -149117.4864 298.8841 -183341.1922 -149022.6911 299.7954 -151.6747 -116.2063 558189.6863 -5.4984 -5.2998 PRESSURE: 723000 80.5145 -292.084 -5.30436 -292.085 -116.415 -7.85474 -5.30412 -7.8558 -163.136 GPRESSURE: 723000 97.9531 -241.087 -75.9367 -317.11 -130.069 -0.534196 57.3319 -93.5131 -90.5873 PRESSAVG: 723000 6.87978 33.9611 -13.5275 33.9611 8.26972 -17.7126 -13.5274 -17.7126 -17.5298 GPRESSAVG: 723000 6.93374 37.4121 -14.7367 32.5491 8.63898 -18.3427 -12.1435 -17.2504 -17.9328 TIMING: 723000 CPU: 2142.33, 0.00296098/step Wall: 2142.33, 0.00296098/step, 3.51781 hours remaining, 205.937500 MB of memory in use. ENERGY: 723000 703.3336 2087.1537 1942.8273 111.5106 -205992.0411 17694.7517 0.0000 0.0000 34310.2317 -149142.2327 299.6398 -183452.4643 -149040.2081 299.5033 -66.3455 -40.9012 557191.9895 -0.7934 -0.7867 PRESSURE: 723200 -78.832 102.985 113.833 102.984 -259.057 108.812 113.835 108.811 4.43113 GPRESSURE: 723200 -36.3906 119.657 191.724 137.065 -191.604 161.592 21.045 111.257 -5.29692 PRESSAVG: 723200 28.4352 -26.7079 11.3907 -26.7079 11.6476 -9.34543 11.3907 -9.34548 -34.9282 GPRESSAVG: 723200 28.6016 -28.0172 12.6764 -22.8911 11.9701 -8.38528 8.49721 -7.28523 -34.6331 TIMING: 723200 CPU: 2142.93, 0.00297032/step Wall: 2142.93, 0.00297032/step, 3.52874 hours remaining, 205.937500 MB of memory in use. ENERGY: 723200 727.1256 2077.9779 1919.1851 119.2743 -205635.5134 17485.2578 0.0000 0.0000 34067.0032 -149239.6895 297.5156 -183306.6928 -149143.1509 298.7009 -111.1527 -77.7639 558585.3805 1.7182 1.9795 PRESSURE: 723400 -87.0661 -42.6791 42.8604 -42.6791 -254.313 -81.7308 42.8614 -81.733 53.4154 GPRESSURE: 723400 -41.3632 -6.4656 6.59915 -81.8539 -245.849 -77.8313 -33.1331 -170.026 108.739 PRESSAVG: 723400 1.80443 52.1952 29.9826 52.1951 32.065 -9.42452 29.9826 -9.42454 -10.1547 GPRESSAVG: 723400 1.97973 51.5072 30.5301 50.9844 32.4962 -8.77435 29.1798 -10.9753 -11.0767 TIMING: 723400 CPU: 2143.52, 0.002961/step Wall: 2143.52, 0.002961/step, 3.5175 hours remaining, 205.937500 MB of memory in use. ENERGY: 723400 737.2502 2036.7627 1945.0264 107.1450 -205908.3297 17763.8939 0.0000 0.0000 34386.5457 -148931.7059 300.3063 -183318.2516 -148834.8914 299.5121 -95.9878 -59.4910 558839.0100 7.9049 7.7997 PRESSURE: 723600 -272.576 -66.2815 77.1044 -66.281 -146.87 210.52 77.1043 210.519 -186.303 GPRESSURE: 723600 -215.291 -66.1235 35.5167 0.328376 -187.725 175.134 65.313 209.106 -111.184 PRESSAVG: 723600 -9.80041 45.8792 35.3572 45.8793 -2.27092 -13.3263 35.3572 -13.3263 33.7255 GPRESSAVG: 723600 -10.6736 47.4833 34.2506 45.326 -2.37257 -13.5268 34.9234 -12.1381 34.8631 TIMING: 723600 CPU: 2144.11, 0.00297564/step Wall: 2144.11, 0.00297564/step, 3.53473 hours remaining, 205.937500 MB of memory in use. ENERGY: 723600 795.1536 2092.0758 1952.2946 110.0088 -205581.2814 17437.3001 0.0000 0.0000 34284.6962 -148909.7524 299.4168 -183194.4486 -148813.2321 299.9905 -201.9165 -171.4003 559478.6610 7.2181 7.2723 PRESSURE: 723800 -2.00198 45.5948 -38.9538 45.5939 -238.299 -57.106 -38.9527 -57.1079 85.5665 GPRESSURE: 723800 -18.7352 80.5431 -58.8556 19.8126 -158.992 -146.102 -56.1864 -16.2457 124.231 PRESSAVG: 723800 19.3902 44.4921 13.6098 44.4922 -39.7164 2.73463 13.6097 2.73457 27.0231 GPRESSAVG: 723800 19.8125 44.5534 12.6467 44.5432 -39.9379 0.611511 16.2712 4.18425 27.0973 TIMING: 723800 CPU: 2144.71, 0.0029825/step Wall: 2144.71, 0.0029825/step, 3.54271 hours remaining, 205.937500 MB of memory in use. ENERGY: 723800 691.6063 2021.0306 1953.8955 111.0832 -205557.1087 17548.8127 0.0000 0.0000 34375.9875 -148854.6929 300.2140 -183230.6804 -148761.4184 299.8768 -51.5782 -17.8320 558382.9676 2.2323 2.3240 PRESSURE: 724000 217.825 -203.277 -126.835 -203.277 -49.4215 -22.3616 -126.836 -22.361 98.9294 GPRESSURE: 724000 235.31 -220.387 -99.4627 -176.959 24.0767 33.6935 -137.53 -54.7126 102.381 PRESSAVG: 724000 93.2979 -21.8067 33.1628 -21.8066 -52.0187 -3.62801 33.1628 -3.62808 -70.2761 GPRESSAVG: 724000 93.1276 -24.649 36.9467 -20.3177 -51.5061 -1.32644 30.4634 -6.12844 -70.4146 TIMING: 724000 CPU: 2145.3, 0.00294803/step Wall: 2145.3, 0.00294803/step, 3.5016 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: 724000 714.0557 2067.7953 1950.8150 115.1734 -205816.7759 17786.3522 0.0000 0.0000 34409.7262 -148772.8582 300.5087 -183182.5844 -148676.4144 299.3991 89.1108 120.5895 557922.2725 -9.6656 -9.5977 PRESSURE: 724200 -52.8747 -74.0012 -19.3184 -73.9999 147.357 85.335 -19.3181 85.3337 124.814 GPRESSURE: 724200 27.5898 -96.4157 -21.7085 -48.4655 187.147 44.1561 -82.2559 70.5801 107.339 PRESSAVG: 724200 47.1431 -45.4913 -0.825241 -45.4913 -37.1023 -46.2266 -0.825172 -46.2266 -1.58695 GPRESSAVG: 724200 47.3954 -42.708 -3.68736 -47.7415 -36.9757 -48.3155 2.54485 -43.4654 -2.0446 TIMING: 724200 CPU: 2145.9, 0.00298416/step Wall: 2145.9, 0.00298416/step, 3.54435 hours remaining, 205.937500 MB of memory in use. ENERGY: 724200 737.3450 2118.5532 1919.5168 117.0680 -205811.5080 17769.4061 0.0000 0.0000 34582.8644 -148566.7544 302.0208 -183149.6189 -148474.6549 300.4080 73.0990 107.3585 557439.8708 2.8180 2.7917 LDB: ============= START OF LOAD BALANCING ============== 2149.32 LDB: ============== END OF LOAD BALANCING =============== 2149.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2149.32 LDB: ============= START OF LOAD BALANCING ============== 2149.62 LDB: Largest compute 4820 load 0.029537 is 25.1% of average load 0.117863 LDB: Average compute 0.001736 is 1.5% of average load 0.117863 LDB: TIME 2149.62 LOAD: AVG 0.117863 MAX 0.199472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 2149.63 LOAD: AVG 0.117863 MAX 0.199472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 2149.63 LOAD: AVG 0.117863 MAX 0.199472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: ============== END OF LOAD BALANCING =============== 2149.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2149.63 PRESSURE: 724400 54.3878 -144.593 17.0363 -144.593 -219.666 -49.2354 17.0362 -49.2349 -304.604 GPRESSURE: 724400 80.0207 -115.893 22.9901 -128.459 -222.885 -17.308 -9.94797 -86.4838 -230.961 PRESSAVG: 724400 -11.4965 9.56649 3.15815 9.56665 -4.7558 -7.09569 3.15811 -7.09583 -26.932 GPRESSAVG: 724400 -11.4807 7.93253 3.68487 9.42791 -5.19169 -5.76656 2.00073 -9.7164 -26.341 TIMING: 724400 CPU: 2146.5, 0.0030331/step Wall: 2146.5, 0.0030331/step, 3.60231 hours remaining, 206.195312 MB of memory in use. ENERGY: 724400 752.9544 2091.0724 1953.9969 106.4143 -205506.6307 17535.1510 0.0000 0.0000 34660.0047 -148407.0371 302.6944 -183067.0418 -148301.2519 301.1640 -156.6275 -124.6085 558707.4667 -14.3948 -14.3378 PRESSURE: 724600 -153.405 150.169 4.90138 150.17 139.732 -8.58487 4.90098 -8.58621 166.301 GPRESSURE: 724600 -165.581 121.325 8.30524 55.1833 192.289 -16.1124 -21.0782 -53.3498 216.591 PRESSAVG: 724600 1.18287 11.6784 -5.05546 11.6785 -30.8351 -25.851 -5.05543 -25.851 18.6992 GPRESSAVG: 724600 2.20822 11.4722 -6.21108 12.32 -30.5494 -24.8135 -3.95791 -26.1919 17.4463 TIMING: 724600 CPU: 2147.1, 0.00297565/step Wall: 2147.1, 0.00297565/step, 3.53392 hours remaining, 206.195312 MB of memory in use. ENERGY: 724600 732.6177 2123.3194 1929.5777 115.6477 -205333.1378 17804.0912 0.0000 0.0000 34214.9141 -148412.9701 298.8074 -182627.8842 -148317.1587 301.4169 50.8762 81.0996 558891.1346 -3.6510 -3.6316 PRESSURE: 724800 -78.5185 -57.4188 -5.38535 -57.4198 -48.7713 -34.0261 -5.38537 -34.0255 -129.634 GPRESSURE: 724800 25.3111 23.2042 -47.7477 -63.1045 -17.7298 97.7417 -10.5748 -116.532 -163.639 PRESSAVG: 724800 49.3498 38.9028 -23.9344 38.9029 19.6404 -48.4888 -23.9344 -48.4887 -36.0103 GPRESSAVG: 724800 49.3707 38.7425 -24.6936 40.6817 18.924 -50.1387 -25.4262 -48.4497 -34.8876 TIMING: 724800 CPU: 2147.69, 0.00298888/step Wall: 2147.69, 0.00298888/step, 3.54946 hours remaining, 206.195312 MB of memory in use. ENERGY: 724800 776.0987 2069.9444 1915.7273 108.4629 -205377.2037 17662.0678 0.0000 0.0000 34452.5154 -148392.3872 300.8824 -182844.9026 -148306.1639 302.0612 -85.6413 -52.0192 560197.3888 10.9933 11.1357 PRESSURE: 725000 -243.465 -113.694 88.0317 -113.693 150.161 47.5675 88.0316 47.5671 -137.477 GPRESSURE: 725000 -191.844 -42.7587 127.814 -14.1542 185.186 6.29718 39.745 -38.9505 -133.5 PRESSAVG: 725000 17.7583 39.607 -8.1039 39.607 -10.6429 -4.18171 -8.10391 -4.18165 -31.6216 GPRESSAVG: 725000 17.3866 40.6098 -6.37629 38.8756 -10.1571 -1.85484 -9.7481 -4.9564 -31.7874 TIMING: 725000 CPU: 2148.29, 0.00297124/step Wall: 2148.29, 0.00297124/step, 3.52835 hours remaining, 206.195312 MB of memory in use. ENERGY: 725000 770.4367 2123.8136 1933.6193 125.7749 -205482.5144 17716.0838 0.0000 0.0000 34468.3952 -148344.3909 301.0211 -182812.7862 -148241.6892 301.6408 -76.9269 -46.7195 559914.3679 -8.1687 -8.1860 PRESSURE: 725200 42.4494 -82.5189 13.1066 -82.5197 136.73 -10.5438 13.1075 -10.5453 111.293 GPRESSURE: 725200 53.6501 -64.7911 -59.462 -122.283 187.179 -43.9178 58.2131 42.7636 150.632 PRESSAVG: 725200 70.6306 18.9221 21.76 18.9222 -8.16764 9.23229 21.76 9.23237 -96.0608 GPRESSAVG: 725200 70.3517 18.7398 21.0777 18.5229 -7.80294 9.3356 24.7168 9.8545 -96.1234 TIMING: 725200 CPU: 2148.88, 0.00297246/step Wall: 2148.88, 0.00297246/step, 3.52963 hours remaining, 206.195312 MB of memory in use. ENERGY: 725200 733.7960 2105.3507 1971.8032 110.4899 -206298.1192 18140.4864 0.0000 0.0000 34612.6485 -148623.5444 302.2809 -183236.1930 -148519.9621 301.1679 96.8242 130.4869 559734.1686 -11.1993 -11.1915 PRESSURE: 725400 -71.8391 -55.7138 -96.7367 -55.7146 132.023 27.1641 -96.7365 27.1645 -14.6405 GPRESSURE: 725400 -49.8729 -25.6665 -47.13 -69.0318 202.1 4.2439 -172.547 -31.3574 -24.6783 PRESSAVG: 725400 20.8052 -40.1057 17.999 -40.1056 39.2956 20.016 17.9989 20.0161 -32.8404 GPRESSAVG: 725400 21.426 -39.8799 17.7388 -40.0037 38.0184 17.6825 16.3696 18.7137 -32.6527 TIMING: 725400 CPU: 2149.48, 0.00297198/step Wall: 2149.48, 0.00297198/step, 3.5289 hours remaining, 206.195312 MB of memory in use. ENERGY: 725400 709.7434 2171.4680 1929.1026 108.9001 -205719.0109 17735.5730 0.0000 0.0000 34394.3373 -148669.8865 300.3743 -183064.2238 -148572.2091 300.7130 15.1811 42.5164 558562.1047 9.0868 8.9305 PRESSURE: 725600 169.354 46.5207 56.2595 46.5205 336.417 18.5952 56.2589 18.5963 225.045 GPRESSURE: 725600 254.832 64.1967 58.5293 58.4478 276.604 56.2545 89.1054 -75.0666 306.966 PRESSAVG: 725600 63.8168 -34.3602 33.0511 -34.3603 69.3169 -23.9532 33.0511 -23.9532 -81.1164 GPRESSAVG: 725600 63.5909 -34.8921 32.0193 -35.7798 68.5717 -22.6344 35.0073 -22.656 -79.976 TIMING: 725600 CPU: 2150.07, 0.00296791/step Wall: 2150.07, 0.00296791/step, 3.5239 hours remaining, 206.195312 MB of memory in use. ENERGY: 725600 757.0713 2106.1428 1965.0532 122.6494 -206215.8301 18130.6319 0.0000 0.0000 34518.0126 -148616.2689 301.4544 -183134.2814 -148514.0797 300.0838 243.6053 279.4674 556466.0298 17.3391 17.3955 PRESSURE: 725800 -204.36 -82.0437 154.393 -82.044 -16.7602 4.31507 154.394 4.3162 179.324 GPRESSURE: 725800 -226.338 -130.167 125.912 -54.9317 66.1598 -122.528 84.6975 80.7326 206.313 PRESSAVG: 725800 76.4229 -24.6839 57.6144 -24.6839 -62.9166 13.8074 57.6143 13.8073 41.874 GPRESSAVG: 725800 76.2519 -24.8069 59.6187 -24.5699 -60.4183 10.0886 54.9182 15.2332 40.2014 TIMING: 725800 CPU: 2150.66, 0.00296137/step Wall: 2150.66, 0.00296137/step, 3.51597 hours remaining, 206.195312 MB of memory in use. ENERGY: 725800 767.4282 2077.1412 1977.5208 119.2863 -205810.5413 17803.1453 0.0000 0.0000 34190.8228 -148875.1967 298.5970 -183066.0195 -148781.6060 301.0308 -13.9321 15.3783 558040.1417 18.4601 18.6784 PRESSURE: 726000 -45.4299 -9.46323 72.0237 -9.46319 -68.6332 -44.2429 72.0226 -44.2452 -214.604 GPRESSURE: 726000 -31.7082 42.9123 -28.3301 -20.8021 -53.8778 -36.6491 210.926 -52.3408 -149.226 PRESSAVG: 726000 30.215 2.46003 35.7743 2.45999 -13.1765 -36.376 35.7743 -36.376 -11.2542 GPRESSAVG: 726000 30.1011 2.90398 35.3323 2.11438 -14.3353 -34.5771 36.6527 -36.5413 -10.1978 TIMING: 726000 CPU: 2151.26, 0.00296451/step Wall: 2151.26, 0.00296451/step, 3.51954 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: 726000 745.0054 2101.3554 1933.7641 113.9436 -205646.6511 17502.1027 0.0000 0.0000 34139.0556 -149111.4243 298.1449 -183250.4799 -149017.6045 300.0247 -109.5556 -78.2706 557592.7602 1.9281 1.8560 PRESSURE: 726200 -249.532 -82.5032 -105.418 -82.5035 72.8372 -62.6444 -105.418 -62.6436 -236.307 GPRESSURE: 726200 -210.79 62.1447 -102.735 -163.229 46.4289 -42.5423 -121.23 -16.3258 -166.423 PRESSAVG: 726200 50.3726 -2.91391 -16.2017 -2.91377 -57.3365 39.9282 -16.2017 39.9282 -20.3938 GPRESSAVG: 726200 50.847 -2.53124 -16.5389 -0.139424 -57.4616 39.4599 -15.5153 40.0727 -20.7096 TIMING: 726200 CPU: 2151.85, 0.00298258/step Wall: 2151.85, 0.00298258/step, 3.54082 hours remaining, 206.195312 MB of memory in use. ENERGY: 726200 744.7803 2066.1490 1955.8847 111.2288 -205922.3701 17591.5046 0.0000 0.0000 34336.1535 -149116.6693 299.8662 -183452.8228 -149019.5883 298.8471 -137.6673 -110.2615 558354.6252 -9.1193 -9.1081 PRESSURE: 726400 -37.8068 -4.06703 170.019 -4.06787 4.01489 89.2771 170.019 89.277 -51.1835 GPRESSURE: 726400 -71.2997 24.4566 196.455 48.1758 33.2902 21.0601 161.128 182.913 46.044 PRESSAVG: 726400 50.1208 0.437632 -26.1193 0.437588 -2.77942 -2.0744 -26.1193 -2.07438 -38.8794 GPRESSAVG: 726400 48.7235 0.530221 -25.8246 0.553776 -1.38385 -0.548433 -28.2903 -3.17403 -39.1922 TIMING: 726400 CPU: 2152.45, 0.00296988/step Wall: 2152.45, 0.00296988/step, 3.52558 hours remaining, 206.195312 MB of memory in use. ENERGY: 726400 735.8612 2136.1200 1933.4253 120.1637 -206079.9948 17788.7181 0.0000 0.0000 34333.7024 -149032.0041 299.8448 -183365.7065 -148937.4485 299.3015 -28.3252 2.6782 558678.4088 2.8206 2.7158 PRESSURE: 726600 203.364 117.511 -20.8086 117.512 452.642 -1.48769 -20.8071 -1.4867 158.274 GPRESSURE: 726600 253.263 65.1563 65.3488 109.23 543.15 70.0126 17.4612 -27.841 121.551 PRESSAVG: 726600 -67.7827 -23.3491 57.2574 -23.3491 61.7038 -53.3426 57.2576 -53.3427 18.4849 GPRESSAVG: 726600 -65.9767 -24.2363 58.6283 -24.8841 60.2935 -56.3873 60.4274 -51.0361 17.8171 TIMING: 726600 CPU: 2153.04, 0.00296399/step Wall: 2153.04, 0.00296399/step, 3.51842 hours remaining, 206.195312 MB of memory in use. ENERGY: 726600 724.5129 2049.9253 1900.4564 113.6144 -206452.9663 18257.8125 0.0000 0.0000 34442.0818 -148964.5632 300.7913 -183406.6449 -148871.0592 299.9780 271.4267 305.9881 558910.8628 4.1353 4.0446 PRESSURE: 726800 -185.909 35.6788 -28.3125 35.6765 -81.7312 187.698 -28.3123 187.697 -333.346 GPRESSURE: 726800 -126.468 84.9997 -42.1827 85.2331 -70.4565 147.591 35.6836 109.174 -298.917 PRESSAVG: 726800 73.7461 22.0636 18.0928 22.0637 -38.646 -8.35246 18.0929 -8.3524 -33.1754 GPRESSAVG: 726800 74.1149 22.4872 16.0278 21.0048 -38.1008 -4.48893 17.1075 -12.5641 -33.7723 TIMING: 726800 CPU: 2153.63, 0.0029577/step Wall: 2153.63, 0.0029577/step, 3.51079 hours remaining, 206.195312 MB of memory in use. ENERGY: 726800 730.8967 2184.1285 1920.8121 111.2259 -206148.6437 17626.1911 0.0000 0.0000 34221.1640 -149354.2255 298.8619 -183575.3895 -149253.9610 299.2324 -200.3286 -165.2806 559796.7345 0.6415 0.7473 PRESSURE: 727000 -198.92 -30.2917 188.643 -30.2919 -11.0502 56.698 188.644 56.6985 -21.6685 GPRESSURE: 727000 -182.188 87.7218 164.724 -89.6351 29.709 103.831 128.241 21.921 23.4312 PRESSAVG: 727000 -19.3134 19.1055 8.62013 19.1055 40.6543 17.781 8.62007 17.781 -7.35744 GPRESSAVG: 727000 -21.0664 19.6618 9.80016 20.3151 40.6843 16.4246 8.07872 19.2451 -5.99391 TIMING: 727000 CPU: 2154.22, 0.00294172/step Wall: 2154.22, 0.00294172/step, 3.49166 hours remaining, 206.195312 MB of memory in use. ENERGY: 727000 763.3779 2093.4327 1932.4514 111.9308 -206130.2548 17809.8554 0.0000 0.0000 34255.3335 -149163.8732 299.1603 -183419.2067 -149066.5440 299.1615 -77.2130 -43.0158 558943.1014 4.6612 4.5413 PRESSURE: 727200 -137.197 -116.129 48.3989 -116.13 -198.48 2.11816 48.4003 2.11856 20.4684 GPRESSURE: 727200 -145.672 -93.9594 141.119 -80.1824 -105.571 -16.1898 79.0461 23.8256 38.3895 PRESSAVG: 727200 -47.7556 4.79638 37.1874 4.79653 12.6617 46.0796 37.1874 46.0797 31.5678 GPRESSAVG: 727200 -46.8405 3.83095 37.8705 7.31539 11.3476 45.1231 36.9196 48.1456 31.9506 TIMING: 727200 CPU: 2154.82, 0.00297959/step Wall: 2154.82, 0.00297959/step, 3.53644 hours remaining, 206.195312 MB of memory in use. ENERGY: 727200 757.8943 2086.9685 1970.6506 113.7623 -205812.7301 17622.5821 0.0000 0.0000 34120.9289 -149139.9434 297.9866 -183260.8723 -149043.2620 298.8912 -105.0698 -70.9510 558501.9713 -1.1754 -1.1808 PRESSURE: 727400 -243.063 90.9688 115.861 90.9695 -121.312 63.3846 115.861 63.385 -278.982 GPRESSURE: 727400 -222.274 37.5158 65.3201 23.399 -85.1877 133.72 111.557 32.6373 -239.695 PRESSAVG: 727400 -8.37804 -32.1832 54.1685 -32.1831 -12.2079 46.6607 54.1684 46.6609 16.3731 GPRESSAVG: 727400 -6.9204 -32.695 53.4685 -35.7109 -10.6618 47.2077 53.5512 45.3018 13.5099 TIMING: 727400 CPU: 2155.4, 0.00294519/step Wall: 2155.4, 0.00294519/step, 3.49545 hours remaining, 206.195312 MB of memory in use. ENERGY: 727400 765.5773 2021.0310 1929.4599 124.2836 -205517.0766 17369.3839 0.0000 0.0000 34213.8013 -149093.5396 298.7976 -183307.3409 -149000.6488 299.6123 -214.4521 -182.3854 557211.6294 -1.4043 -1.3574 PRESSURE: 727600 -181.293 -139.549 -48.3904 -139.549 -18.5978 -74.0498 -48.3916 -74.0484 -425.632 GPRESSURE: 727600 -137.162 -79.2216 -46.4055 -224.142 3.60635 -122.711 -48.6095 -57.4756 -397.95 PRESSAVG: 727600 54.4075 50.4918 -21.794 50.4918 84.6649 24.3428 -21.794 24.3428 -77.4768 GPRESSAVG: 727600 52.965 51.9596 -23.3695 50.9031 83.835 23.4773 -20.8487 23.5593 -75.6313 TIMING: 727600 CPU: 2155.99, 0.00294976/step Wall: 2155.99, 0.00294976/step, 3.50071 hours remaining, 206.195312 MB of memory in use. ENERGY: 727600 749.1078 2085.4555 1939.0762 108.8716 -206028.4387 17448.7524 0.0000 0.0000 34524.0928 -149173.0824 301.5075 -183697.1752 -149074.8409 299.8745 -208.5078 -177.1686 557112.5547 20.5318 20.3896 PRESSURE: 727800 49.2726 38.6192 18.7762 38.6188 -176.663 -34.8461 18.7766 -34.846 -82.5044 GPRESSURE: 727800 110.773 2.31962 -70.2796 126.364 -97.3311 -20.2035 64.3832 -19.3452 -133.805 PRESSAVG: 727800 46.3928 0.727802 -44.6937 0.727824 21.386 -12.8568 -44.6937 -12.8568 -51.6264 GPRESSAVG: 727800 47.1445 -0.81336 -45.9153 2.15455 21.1228 -12.9514 -43.3707 -10.5839 -52.2502 TIMING: 727800 CPU: 2156.58, 0.00294085/step Wall: 2156.58, 0.00294085/step, 3.48997 hours remaining, 206.195312 MB of memory in use. ENERGY: 727800 777.7856 2107.7196 1956.8241 121.8917 -206036.3615 17654.1356 0.0000 0.0000 34235.3475 -149182.6575 298.9858 -183418.0050 -149084.6872 299.3434 -69.9648 -40.1211 557236.7658 5.3842 5.3390 PRESSURE: 728000 81.3295 3.12215 -48.5062 3.12214 -123.574 13.5267 -48.5062 13.5255 -193.355 GPRESSURE: 728000 101.563 -62.191 -25.7515 46.9249 -72.1201 33.7566 -15.3182 -21.5048 -173.253 PRESSAVG: 728000 6.1755 -86.5824 32.7789 -86.5825 -9.34835 -50.8603 32.7789 -50.8604 -16.0866 GPRESSAVG: 728000 5.12246 -84.3687 34.3425 -86.7349 -8.899 -50.6887 31.365 -51.4161 -15.1562 TIMING: 728000 CPU: 2157.18, 0.00299661/step Wall: 2157.18, 0.00299661/step, 3.55598 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: 728000 790.4082 2075.1806 1972.1119 121.7817 -205924.5365 17777.6557 0.0000 0.0000 34116.8273 -149070.5713 297.9507 -183187.3985 -148977.5021 299.5269 -78.5331 -47.9365 557422.4340 -6.4198 -6.3109 PRESSURE: 728200 -23.4076 -44.4321 6.76755 -44.4322 37.5489 -79.4734 6.76696 -79.4745 162.742 GPRESSURE: 728200 4.69351 -53.7523 -20.5045 -60.7483 66.9921 5.22515 18.6822 -32.669 185.257 PRESSAVG: 728200 67.6869 -1.61528 24.9545 -1.61526 43.8964 -10.6672 24.9546 -10.6671 -54.8102 GPRESSAVG: 728200 67.1045 -2.49881 24.818 -2.8049 43.7086 -11.0715 25.8835 -10.4034 -54.5657 TIMING: 728200 CPU: 2157.78, 0.00297806/step Wall: 2157.78, 0.00297806/step, 3.5338 hours remaining, 206.195312 MB of memory in use. ENERGY: 728200 767.1404 2137.3286 1926.0748 100.3226 -206015.0138 17897.7954 0.0000 0.0000 34283.3228 -148903.0292 299.4048 -183186.3520 -148799.4123 299.2344 58.9612 85.6476 559613.0782 18.9244 18.7491 LDB: ============= START OF LOAD BALANCING ============== 2161.21 LDB: ============== END OF LOAD BALANCING =============== 2161.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2161.21 LDB: ============= START OF LOAD BALANCING ============== 2161.51 LDB: Largest compute 4820 load 0.032347 is 27.5% of average load 0.117813 LDB: Average compute 0.001734 is 1.5% of average load 0.117813 LDB: TIME 2161.51 LOAD: AVG 0.117813 MAX 0.197604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 2161.51 LOAD: AVG 0.117813 MAX 0.197604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: TIME 2161.51 LOAD: AVG 0.117813 MAX 0.197604 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.074 MB LDB: ============== END OF LOAD BALANCING =============== 2161.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2161.52 PRESSURE: 728400 -144.691 68.7665 113.672 68.7664 64.9403 39.2002 113.672 39.1991 -33.3944 GPRESSURE: 728400 -96.5539 -20.7177 49.2282 135.492 65.5473 31.4946 140.92 39.763 9.57297 PRESSAVG: 728400 -56.1963 -39.2137 19.4879 -39.2137 13.6633 35.293 19.488 35.2931 46.2116 GPRESSAVG: 728400 -55.1499 -39.3403 19.4499 -39.7725 14.5266 35.9096 18.5129 36.402 44.5779 TIMING: 728400 CPU: 2158.39, 0.00304198/step Wall: 2158.39, 0.00304198/step, 3.60948 hours remaining, 206.632812 MB of memory in use. ENERGY: 728400 751.1881 1994.6288 1924.3844 119.4814 -205714.2299 17666.3807 0.0000 0.0000 34287.2819 -148970.8845 299.4394 -183258.1665 -148872.4309 300.0640 -37.7150 -7.1445 559525.3001 1.2262 1.3182 PRESSURE: 728600 2.67531 11.4839 -106.559 11.4831 -122.973 13.0812 -106.558 13.0811 -209.248 GPRESSURE: 728600 66.7326 -46.0599 -96.4689 120.886 -177.816 18.0477 -55.601 -96.6875 -120.57 PRESSAVG: 728600 -30.5008 -33.1138 41.0245 -33.1139 13.4133 9.63141 41.0244 9.63133 13.3748 GPRESSAVG: 728600 -29.9215 -35.2574 43.2378 -30.7719 13.087 11.3698 40.4273 7.79314 13.4746 TIMING: 728600 CPU: 2158.98, 0.00295443/step Wall: 2158.98, 0.00295443/step, 3.50543 hours remaining, 206.632812 MB of memory in use. ENERGY: 728600 770.9144 2114.3521 1922.1400 101.8781 -205798.7421 17639.7553 0.0000 0.0000 34341.6353 -148908.0669 299.9140 -183249.7023 -148811.0575 299.5326 -109.8488 -77.2179 557205.9713 -1.2376 -1.1200 PRESSURE: 728800 -5.57969 215.359 -24.7218 215.358 -15.2515 50.0316 -24.7233 50.0345 48.636 GPRESSURE: 728800 -5.56933 151.036 15.6299 186.07 10.0456 2.95697 -70.8759 74.5356 123.791 PRESSAVG: 728800 -45.5304 44.6307 -19.6837 44.6307 40.8047 -31.7146 -19.6838 -31.7145 31.3996 GPRESSAVG: 728800 -45.0103 45.4013 -20.6975 44.1521 40.4519 -34.0156 -20.757 -31.8364 31.0908 TIMING: 728800 CPU: 2159.57, 0.00296767/step Wall: 2159.57, 0.00296767/step, 3.52098 hours remaining, 206.632812 MB of memory in use. ENERGY: 728800 729.8272 2119.0993 1946.7144 109.6642 -206070.1782 17877.9003 0.0000 0.0000 34397.0584 -148889.9144 300.3981 -183286.9729 -148786.8179 300.0283 9.2683 42.7556 558145.1951 8.8913 8.8441 PRESSURE: 729000 307.934 -5.99528 -163.043 -5.99529 219.099 -88.7762 -163.042 -88.7756 6.81639 GPRESSURE: 729000 353.598 9.42569 -163.502 30.4114 246.34 -125.819 -152.757 -100.62 28.3893 PRESSAVG: 729000 30.8809 21.327 -20.1998 21.327 25.1322 -8.88623 -20.1998 -8.88621 -55.0678 GPRESSAVG: 729000 28.7462 20.739 -21.2142 22.1586 25.9503 -7.46791 -17.3095 -8.57618 -54.3757 TIMING: 729000 CPU: 2160.16, 0.00296565/step Wall: 2160.16, 0.00296565/step, 3.51841 hours remaining, 206.632812 MB of memory in use. ENERGY: 729000 774.2213 2088.2398 1947.2289 107.0630 -206316.7890 18067.5646 0.0000 0.0000 34468.3722 -148864.0991 301.0209 -183332.4713 -148767.5810 300.2340 177.9498 209.4426 557341.2615 0.3151 0.1069 PRESSURE: 729200 -176.836 -115.5 -26.2864 -115.5 142.122 38.6503 -26.2861 38.6487 -57.7448 GPRESSURE: 729200 -193.493 -143.921 16.1616 -92.0707 207.142 41.7553 -58.4786 28.0811 -8.84372 PRESSAVG: 729200 -18.7327 -19.9119 -20.9169 -19.9119 20.8333 -24.7876 -20.9168 -24.7875 35.2493 GPRESSAVG: 729200 -17.0551 -17.071 -19.428 -20.7703 19.6836 -24.3479 -22.2775 -25.1937 34.5911 TIMING: 729200 CPU: 2160.76, 0.00296908/step Wall: 2160.76, 0.00296908/step, 3.52232 hours remaining, 206.632812 MB of memory in use. ENERGY: 729200 746.1225 2161.0816 1931.1425 120.7732 -205739.1290 17644.6685 0.0000 0.0000 34285.6899 -148849.6508 299.4255 -183135.3406 -148751.4525 300.6339 -30.8196 1.6018 558711.9943 12.4500 12.4065 PRESSURE: 729400 163.815 -98.4834 146.978 -98.4828 -67.2891 50.105 146.978 50.1045 -43.9431 GPRESSURE: 729400 234.69 -117.751 141.31 -37.4664 -60.942 95.5908 126.392 -53.8553 -25.0043 PRESSAVG: 729400 24.3544 -36.7117 33.4789 -36.7117 21.2559 56.4208 33.479 56.4208 -3.13817 GPRESSAVG: 729400 23.4741 -36.7242 32.9303 -40.6658 21.3942 54.5804 32.5734 56.3035 -1.8667 TIMING: 729400 CPU: 2161.35, 0.00296457/step Wall: 2161.35, 0.00296457/step, 3.5168 hours remaining, 206.632812 MB of memory in use. ENERGY: 729400 771.1788 2086.1343 1970.7421 123.3240 -206155.7070 17857.3835 0.0000 0.0000 34382.9491 -148963.9952 300.2748 -183346.9443 -148865.6111 299.7615 17.5277 49.5813 558384.9341 14.1574 14.3338 PRESSURE: 729600 -205.772 -158.433 -42.1928 -158.433 35.4875 -135.772 -42.1947 -135.772 -426.96 GPRESSURE: 729600 -223.951 -180.88 -8.69484 -59.1803 54.3836 -103.889 46.6724 -93.6993 -335.275 PRESSAVG: 729600 11.6259 -63.3273 17.015 -63.3273 3.34265 48.8452 17.0149 48.8453 -21.9706 GPRESSAVG: 729600 11.6238 -63.6521 18.3423 -62.2427 3.63626 48.5858 16.5317 49.1939 -21.3468 TIMING: 729600 CPU: 2161.94, 0.00294279/step Wall: 2161.94, 0.00294279/step, 3.49081 hours remaining, 206.632812 MB of memory in use. ENERGY: 729600 786.9961 2103.3656 1990.9434 117.3422 -205840.3522 17706.5336 0.0000 0.0000 34034.6652 -149100.5061 297.2332 -183135.1713 -149018.8452 299.5393 -199.0814 -168.2809 559231.4817 -2.3340 -2.0289 PRESSURE: 729800 -12.7043 -36.9952 -43.925 -36.9955 9.33636 22.9986 -43.9238 22.9989 133.817 GPRESSURE: 729800 61.3341 -17.9157 -127.032 -3.71647 14.4466 88.0533 35.6751 -53.436 143.336 PRESSAVG: 729800 22.0662 -87.116 -32.9075 -87.116 2.7901 2.89219 -32.9076 2.89214 26.5667 GPRESSAVG: 729800 23.4359 -87.198 -35.1894 -86.7414 1.90604 4.59402 -30.2794 1.80889 26.5768 TIMING: 729800 CPU: 2162.53, 0.00295229/step Wall: 2162.53, 0.00295229/step, 3.5019 hours remaining, 206.632812 MB of memory in use. ENERGY: 729800 733.3517 2152.4226 1976.6425 109.9897 -206408.1415 17875.0875 0.0000 0.0000 34388.7771 -149171.8705 300.3257 -183560.6475 -149067.2682 299.7270 43.4832 73.0388 556189.8411 17.1410 17.3062 PRESSURE: 730000 -221.539 -27.0455 -186.22 -27.0466 -168.812 -61.5785 -186.22 -61.579 -214.18 GPRESSURE: 730000 -200.004 -56.6787 -173.219 7.05986 -144.257 -35.0752 -257.815 -48.4675 -150.212 PRESSAVG: 730000 -2.8938 -24.5028 -33.9775 -24.5029 28.3831 12.381 -33.9776 12.3808 -12.9444 GPRESSAVG: 730000 -3.77506 -23.2984 -33.594 -25.4031 27.9177 12.507 -36.019 11.2223 -11.3855 TIMING: 730000 CPU: 2163.12, 0.00297483/step Wall: 2163.12, 0.00297483/step, 3.52848 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: 730000 741.9052 2056.2038 1938.8792 105.6169 -205635.7326 17393.0360 0.0000 0.0000 34399.3669 -149000.7246 300.4182 -183400.0915 -148900.8039 300.4545 -201.5103 -164.8245 557722.7750 4.1816 4.2524 PRESSURE: 730200 -20.7933 57.8983 5.56828 57.8975 -89.2091 65.5794 5.5669 65.5785 -68.1584 GPRESSURE: 730200 -11.9278 -29.7881 84.2004 86.3307 -64.0849 56.6429 -60.5844 131.938 4.16583 PRESSAVG: 730200 29.9869 -54.7197 -24.7406 -54.7197 30.5049 -12.4093 -24.7405 -12.4093 -56.241 GPRESSAVG: 730200 29.4933 -57.3389 -24.3276 -54.4753 32.6305 -11.9435 -22.8704 -10.5911 -57.3085 TIMING: 730200 CPU: 2163.72, 0.00298025/step Wall: 2163.72, 0.00298025/step, 3.53474 hours remaining, 206.632812 MB of memory in use. ENERGY: 730200 805.2664 2108.2066 1970.2109 121.4862 -206156.6335 17819.2342 0.0000 0.0000 34332.4677 -148999.7616 299.8340 -183332.2293 -148898.2180 300.4243 -59.3869 -23.9490 556377.9639 1.4169 1.6051 PRESSURE: 730400 100.871 -85.2528 10.2365 -85.2522 -176.78 -98.9188 10.2374 -98.9196 -116.714 GPRESSURE: 730400 83.7361 -10.511 -55.1382 -20.8522 -124.518 -91.5922 -19.1704 -141.191 -47.0128 PRESSAVG: 730400 53.2113 -15.7373 27.2259 -15.7373 -26.5948 40.1851 27.2259 40.185 -69.1256 GPRESSAVG: 730400 54.0539 -15.5433 27.8912 -11.7803 -26.889 40.1237 25.5392 38.7113 -69.8516 TIMING: 730400 CPU: 2164.32, 0.00300184/step Wall: 2164.32, 0.00300184/step, 3.56018 hours remaining, 206.632812 MB of memory in use. ENERGY: 730400 719.2733 2164.2629 1968.6602 114.4898 -206393.2192 17860.2289 0.0000 0.0000 34405.1371 -149161.1669 300.4686 -183566.3040 -149069.1536 299.6608 -64.2076 -29.2649 558189.5211 -14.1697 -14.2289 PRESSURE: 730600 -99.6404 -10.8547 -72.7048 -10.8564 -270.231 17.4825 -72.705 17.4831 -189.326 GPRESSURE: 730600 -72.6545 -59.8463 -55.4031 19.5858 -237.901 -8.07047 -24.8135 67.3664 -157.198 PRESSAVG: 730600 -55.28 -46.7591 -15.7677 -46.759 66.1591 -3.48939 -15.7678 -3.48929 8.73448 GPRESSAVG: 730600 -55.153 -46.2171 -18.6784 -48.9203 65.9626 -5.70219 -13.2218 -3.0494 9.34932 TIMING: 730600 CPU: 2164.92, 0.00300032/step Wall: 2164.92, 0.00300032/step, 3.55821 hours remaining, 206.632812 MB of memory in use. ENERGY: 730600 751.6184 2132.3969 1940.7808 132.4194 -206186.3743 17731.1062 0.0000 0.0000 34166.6056 -149331.4469 298.3855 -183498.0525 -149239.3774 298.8107 -186.3991 -155.9179 557920.2182 6.5379 6.7197 PRESSURE: 730800 -145.128 -56.6718 208.131 -56.6712 -120.457 -11.427 208.132 -11.4291 -26.5238 GPRESSURE: 730800 -85.0619 -21.8928 149.517 -142.441 -95.194 -5.84426 201.04 -29.2128 -26.9462 PRESSAVG: 730800 -2.58625 -1.6059 -0.253118 -1.60585 -18.1113 -54.0949 -0.253104 -54.0948 16.2682 GPRESSAVG: 730800 -2.37285 -0.219322 0.404067 -2.68249 -19.149 -53.6103 -2.549 -53.348 16.3038 TIMING: 730800 CPU: 2165.51, 0.00296773/step Wall: 2165.51, 0.00296773/step, 3.5194 hours remaining, 206.632812 MB of memory in use. ENERGY: 730800 712.3818 2141.5039 1949.2259 101.2332 -205798.8222 17426.3560 0.0000 0.0000 34212.1040 -149256.0173 298.7828 -183468.1213 -149168.3259 298.2001 -97.3698 -69.0674 559137.4131 -1.4765 -1.7393 PRESSURE: 731000 -38.2512 284.95 263.461 284.95 111.761 -61.6399 263.46 -61.6385 -100.547 GPRESSURE: 731000 -0.092305 286.738 182.342 251.502 120.818 -60.5567 248.199 -58.5557 -39.3849 PRESSAVG: 731000 12.1622 15.544 62.3498 15.544 -24.8788 -87.3299 62.3498 -87.33 -16.3326 GPRESSAVG: 731000 11.2953 13.9574 63.0617 17.5031 -25.4889 -87.2774 63.0452 -88.2888 -14.8827 TIMING: 731000 CPU: 2166.11, 0.00298283/step Wall: 2166.11, 0.00298283/step, 3.53714 hours remaining, 206.632812 MB of memory in use. ENERGY: 731000 741.1638 2138.1213 1971.3488 97.7482 -206260.0421 17762.3303 0.0000 0.0000 34374.8375 -149174.4924 300.2040 -183549.3299 -149078.3821 299.0302 -9.0126 27.1136 558558.3526 -9.6831 -9.6921 PRESSURE: 731200 72.1762 -59.9151 74.8326 -59.9141 24.0919 -21.4735 74.8318 -21.4727 0.844166 GPRESSURE: 731200 46.8526 -167.697 147.207 -51.9511 61.1885 -17.0237 70.795 17.1319 97.1323 PRESSAVG: 731200 -14.8991 -39.7002 8.70947 -39.7003 -8.38621 -20.3112 8.70942 -20.3112 34.0449 GPRESSAVG: 731200 -15.2222 -38.2352 9.29038 -41.9986 -6.22992 -19.6019 7.71604 -19.9348 32.0645 TIMING: 731200 CPU: 2166.7, 0.00294368/step Wall: 2166.7, 0.00294368/step, 3.49055 hours remaining, 206.632812 MB of memory in use. ENERGY: 731200 781.4000 2057.4587 1936.0727 105.0181 -206312.8381 17913.1185 0.0000 0.0000 34313.6136 -149206.1565 299.6693 -183519.7701 -149108.0759 299.6965 32.3708 68.3912 557964.3171 3.5865 3.5375 PRESSURE: 731400 144.321 219.452 106.818 219.451 70.6191 45.2971 106.818 45.2971 250.099 GPRESSURE: 731400 169.29 280.232 86.3142 124.533 123.644 57.2735 92.3683 62.6841 271.324 PRESSAVG: 731400 21.4592 42.1139 -6.92137 42.1139 -27.3188 19.1 -6.92133 19.1 -16.665 GPRESSAVG: 731400 21.937 42.0193 -6.19405 44.7062 -28.5709 18.6927 -7.46222 18.5851 -16.7428 TIMING: 731400 CPU: 2167.29, 0.00296369/step Wall: 2167.29, 0.00296369/step, 3.51411 hours remaining, 206.632812 MB of memory in use. ENERGY: 731400 749.7226 2074.6385 1973.4355 99.6772 -206393.7115 18042.8067 0.0000 0.0000 34255.9962 -149197.4349 299.1661 -183453.4310 -149102.8263 298.7665 155.0131 188.0859 557535.5724 -7.5082 -7.7922 PRESSURE: 731600 65.5276 -134.932 -49.4172 -134.932 200.935 -57.1474 -49.4183 -57.1477 12.6722 GPRESSURE: 731600 91.8581 -157.232 -14.0613 -66.3237 236.612 -11.5597 -129.639 -102.472 43.5916 PRESSAVG: 731600 16.1257 37.0525 78.6489 37.0527 -28.7812 -8.59074 78.6489 -8.59076 -29.7864 GPRESSAVG: 731600 16.8789 37.3374 76.4336 34.989 -29.604 -8.17466 80.0818 -9.01749 -29.608 TIMING: 731600 CPU: 2167.89, 0.00297993/step Wall: 2167.89, 0.00297993/step, 3.53321 hours remaining, 206.632812 MB of memory in use. ENERGY: 731600 736.1164 2123.2560 1967.4506 115.9290 -206459.1578 18032.4292 0.0000 0.0000 34197.0122 -149286.9644 298.6510 -183483.9766 -149185.1970 298.5951 93.0448 124.0206 557673.0964 -14.1473 -14.1110 PRESSURE: 731800 -233.194 162.308 152.271 162.307 -17.8258 -13.4137 152.272 -13.4144 94.2047 GPRESSURE: 731800 -198.591 116.731 140.627 169.882 45.9701 -10.3987 128.292 5.88411 90.4729 PRESSAVG: 731800 94.7362 -15.3386 -26.483 -15.3386 -1.65258 -55.0456 -26.4829 -55.0456 -102.777 GPRESSAVG: 731800 93.5657 -15.1517 -26.1564 -15.1893 -0.337586 -55.1727 -27.7405 -53.6919 -103.07 TIMING: 731800 CPU: 2168.48, 0.00296687/step Wall: 2168.48, 0.00296687/step, 3.51755 hours remaining, 206.632812 MB of memory in use. ENERGY: 731800 754.3910 2073.1967 1916.1845 111.2025 -206001.9980 17816.8566 0.0000 0.0000 34186.1739 -149143.9927 298.5564 -183330.1666 -149045.2161 299.1443 -52.2718 -20.7160 558474.2455 -3.2311 -3.2808 PRESSURE: 732000 -128.306 -169.209 -5.58815 -169.209 -80.5934 56.8848 -5.58762 56.8845 170.687 GPRESSURE: 732000 -103.332 -192.899 -172.864 -143.584 -54.4366 97.186 63.4228 -1.20542 225.098 PRESSAVG: 732000 65.9486 15.9258 -19.2069 15.9258 -90.0539 19.0276 -19.207 19.0278 34.1382 GPRESSAVG: 732000 66.0198 15.2199 -20.1837 15.4068 -90.1863 18.8023 -18.7301 16.6017 34.4204 TIMING: 732000 CPU: 2169.07, 0.00295127/step Wall: 2169.07, 0.00295127/step, 3.4989 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: 732000 769.0198 2053.3529 1935.8646 116.2446 -206014.9866 17662.2699 0.0000 0.0000 34411.2070 -149067.0278 300.5216 -183478.2348 -148966.7145 300.0872 -12.7375 22.4431 558192.0067 3.3443 3.4180 PRESSURE: 732200 -222.861 39.0311 -97.2461 39.0305 -60.6517 -53.4825 -97.2455 -53.482 -72.4847 GPRESSURE: 732200 -155.933 53.8819 -30.2375 15.94 4.09817 -77.7892 -161.009 -92.4178 -112.962 PRESSAVG: 732200 -9.08528 -2.28761 -15.789 -2.28773 11.0464 15.3049 -15.789 15.3049 32.7961 GPRESSAVG: 732200 -8.59932 -2.60489 -15.5201 -1.91423 11.2394 13.3662 -15.7003 17.8936 32.515 TIMING: 732200 CPU: 2169.67, 0.00296755/step Wall: 2169.67, 0.00296755/step, 3.51803 hours remaining, 206.632812 MB of memory in use. ENERGY: 732200 731.0611 2090.4715 1971.9453 113.7461 -205972.7983 17648.4326 0.0000 0.0000 34241.8510 -149175.2908 299.0426 -183417.1418 -149080.3057 299.4500 -118.6657 -88.2657 559205.4350 11.5857 11.7184 LDB: ============= START OF LOAD BALANCING ============== 2173.1 LDB: ============== END OF LOAD BALANCING =============== 2173.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2173.1 LDB: ============= START OF LOAD BALANCING ============== 2173.4 LDB: Largest compute 4820 load 0.030321 is 25.8% of average load 0.117731 LDB: Average compute 0.001741 is 1.5% of average load 0.117731 LDB: TIME 2173.4 LOAD: AVG 0.117731 MAX 0.198986 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.5 MB LDB: TIME 2173.4 LOAD: AVG 0.117731 MAX 0.198986 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 2173.4 LOAD: AVG 0.117731 MAX 0.198986 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: ============== END OF LOAD BALANCING =============== 2173.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2173.41 PRESSURE: 732400 -207.296 -24.0191 -108.185 -24.02 87.3521 -9.28713 -108.186 -9.28891 -192.897 GPRESSURE: 732400 -235.734 8.329 -82.6887 -63.348 170.779 -30.6637 -97.4711 29.6846 -145.528 PRESSAVG: 732400 21.0227 -37.3776 24.1823 -37.3776 -65.6211 -23.7381 24.1823 -23.7382 28.9698 GPRESSAVG: 732400 21.0598 -36.9961 24.2908 -38.4917 -65.6193 -24.8665 23.8573 -23.6793 29.4255 TIMING: 732400 CPU: 2170.28, 0.00305656/step Wall: 2170.28, 0.00305656/step, 3.62338 hours remaining, 205.996094 MB of memory in use. ENERGY: 732400 763.3701 2078.4382 1952.1670 105.7498 -206207.2504 17733.8867 0.0000 0.0000 34230.2419 -149343.3967 298.9412 -183573.6386 -149249.4836 299.0491 -104.2805 -70.1609 559193.6496 -5.2095 -5.0447 PRESSURE: 732600 -65.8835 -10.5264 -141.161 -10.526 22.6793 -204.638 -141.161 -204.639 -103.534 GPRESSURE: 732600 -76.2981 -113.062 -102.763 78.8379 73.6655 -194.472 -143.58 -162.019 -50.0497 PRESSAVG: 732600 7.49571 14.8794 -34.2757 14.8795 1.77129 -19.6916 -34.2757 -19.6916 31.6011 GPRESSAVG: 732600 6.89365 15.1192 -34.0413 15.4572 1.05116 -17.3698 -34.0847 -19.5606 32.6402 TIMING: 732600 CPU: 2170.87, 0.00298572/step Wall: 2170.87, 0.00298572/step, 3.53924 hours remaining, 206.199219 MB of memory in use. ENERGY: 732600 744.0011 2119.8472 1961.6615 109.7919 -206188.2882 17779.3869 0.0000 0.0000 34106.1035 -149367.4962 297.8571 -183473.5997 -149264.7883 298.2596 -48.9128 -17.5608 558566.9002 13.6227 13.5283 PRESSURE: 732800 -374.568 32.876 76.5149 32.8764 3.00605 135.803 76.5148 135.805 -19.963 GPRESSURE: 732800 -318.739 -35.0194 164.506 -0.837704 -5.10769 66.8436 67.6209 104.531 14.0215 PRESSAVG: 732800 -22.3614 10.4611 10.812 10.4611 2.69511 24.2103 10.8121 24.2103 -32.5827 GPRESSAVG: 732800 -21.2477 9.55502 14.62 10.4237 2.89436 26.8026 10.4929 23.0526 -34.2503 TIMING: 732800 CPU: 2171.47, 0.00296258/step Wall: 2171.47, 0.00296258/step, 3.51165 hours remaining, 206.199219 MB of memory in use. ENERGY: 732800 767.3657 2103.5233 1958.1888 108.3509 -206375.6955 17729.2072 0.0000 0.0000 34214.9950 -149494.0647 298.8081 -183709.0596 -149390.1271 298.4455 -130.5082 -103.2751 557479.1535 -17.4163 -17.5346 PRESSURE: 733000 -69.8215 7.44652 62.674 7.44526 279.823 -230.83 62.6738 -230.829 -114.73 GPRESSURE: 733000 -67.316 9.51547 -42.5013 -13.126 346.475 -231.547 85.2016 -68.1575 -82.611 PRESSAVG: 733000 -19.5352 -9.22098 38.0441 -9.22095 57.4418 -21.0508 38.044 -21.0508 -18.7591 GPRESSAVG: 733000 -20.3063 -7.04098 33.5831 -10.0466 57.1945 -22.7067 41.2254 -21.2676 -18.1074 TIMING: 733000 CPU: 2172.06, 0.00295628/step Wall: 2172.06, 0.00295628/step, 3.50401 hours remaining, 206.199219 MB of memory in use. ENERGY: 733000 764.3070 2100.1102 1938.0543 124.6126 -206845.5226 17886.5161 0.0000 0.0000 34528.8177 -149503.1046 301.5488 -184031.9223 -149400.0320 298.6326 31.7574 65.5161 557186.9913 6.3825 6.2603 PRESSURE: 733200 39.7144 21.1943 48.9278 21.1959 17.3423 -104.39 48.9283 -104.391 82.8345 GPRESSURE: 733200 74.9212 2.98824 -50.6091 -21.9943 89.2889 -80.9648 112.677 -70.8777 70.1636 PRESSAVG: 733200 -35.6196 0.328479 53.6409 0.328538 128.989 -73.7066 53.6408 -73.7064 -81.6393 GPRESSAVG: 733200 -36.3784 -0.304668 53.9369 0.541445 129.292 -74.021 52.894 -72.7574 -81.3593 TIMING: 733200 CPU: 2172.65, 0.00296181/step Wall: 2172.65, 0.00296181/step, 3.5104 hours remaining, 206.199219 MB of memory in use. ENERGY: 733200 804.7480 2143.0649 1934.3772 98.7874 -206500.1159 18003.4672 0.0000 0.0000 34123.4131 -149392.2582 298.0083 -183515.6712 -149286.4703 298.9589 46.6304 78.1246 557501.1212 3.9100 3.8514 PRESSURE: 733400 62.4092 -57.4566 14.4915 -57.4559 -187.357 -73.0824 14.4916 -73.0811 -85.7322 GPRESSURE: 733400 93.8329 -14.5399 -42.4015 -93.9306 -112.824 -97.5574 31.1277 -143.713 -94.6531 PRESSAVG: 733400 -18.0341 10.2926 21.1512 10.2926 38.393 -5.96926 21.1512 -5.96931 -1.70665 GPRESSAVG: 733400 -17.2462 7.90397 20.7036 10.3329 37.9477 -5.26312 19.6937 -6.31306 -2.21437 TIMING: 733400 CPU: 2173.24, 0.00296887/step Wall: 2173.24, 0.00296887/step, 3.5186 hours remaining, 206.199219 MB of memory in use. ENERGY: 733400 757.7396 2078.6108 1977.9040 117.5792 -206191.2812 17718.8889 0.0000 0.0000 34185.7711 -149354.7877 298.5528 -183540.5588 -149257.5880 299.0122 -70.2265 -37.8815 557859.7228 6.2174 6.1624 PRESSURE: 733600 33.7972 59.8397 55.874 59.8402 66.2031 45.9548 55.875 45.9554 -5.95587 GPRESSURE: 733600 97.5273 140.553 -8.42917 -35.1081 62.4781 -47.6962 165.245 113.136 21.5273 PRESSAVG: 733600 69.6989 25.0872 18.5647 25.0872 17.7586 -38.2694 18.5647 -38.2693 -93.7759 GPRESSAVG: 733600 68.1863 28.7725 20.021 24.6231 18.3583 -40.7099 18.0843 -36.9121 -93.2917 TIMING: 733600 CPU: 2173.84, 0.00295868/step Wall: 2173.84, 0.00295868/step, 3.50637 hours remaining, 206.199219 MB of memory in use. ENERGY: 733600 719.1255 2065.6715 1946.7997 109.8961 -206329.0523 17779.1901 0.0000 0.0000 34358.1614 -149350.2080 300.0584 -183708.3694 -149252.8775 299.4177 31.3482 60.5109 557607.1099 -2.1061 -2.2491 PRESSURE: 733800 -258.877 -37.7771 -45.7171 -37.7764 -147.58 -22.4581 -45.7175 -22.4591 -84.7254 GPRESSURE: 733800 -202.753 -15.3306 -85.8829 -29.2961 -121.688 -29.214 52.2818 35.1485 -68.0016 PRESSAVG: 733800 54.4733 19.2718 -1.47805 19.2719 -63.717 46.6833 -1.47804 46.6833 -7.76422 GPRESSAVG: 733800 53.7904 17.2132 -1.0299 18.197 -62.9572 46.7237 -2.7181 47.4427 -8.11676 TIMING: 733800 CPU: 2174.43, 0.00295241/step Wall: 2174.43, 0.00295241/step, 3.49877 hours remaining, 206.199219 MB of memory in use. ENERGY: 733800 719.4422 2093.4208 1939.2934 103.5713 -206013.1963 17457.2243 0.0000 0.0000 34353.2620 -149346.9823 300.0156 -183700.2443 -149239.7302 298.9884 -163.7272 -130.8141 557396.9181 -5.6693 -5.7612 PRESSURE: 734000 9.3068 -17.9671 143.395 -17.9681 151.452 34.0694 143.395 34.0704 -106.625 GPRESSURE: 734000 74.0864 -87.5049 174.86 -12.0475 188.767 -9.26321 86.1608 3.52407 -110.761 PRESSAVG: 734000 65.5953 17.3985 12.4736 17.3984 25.1489 42.3995 12.4736 42.3995 -59.9732 GPRESSAVG: 734000 68.5138 15.9453 12.1461 20.0721 22.6778 42.8002 13.9758 39.84 -59.8419 TIMING: 734000 CPU: 2175.01, 0.0029316/step Wall: 2175.01, 0.0029316/step, 3.47395 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: 734000 772.3954 2114.1854 1942.7373 113.6657 -206581.1827 17922.4220 0.0000 0.0000 34358.3127 -149357.4643 300.0597 -183715.7770 -149265.1031 299.7342 18.0447 50.6974 557476.9271 10.2570 10.4499 PRESSURE: 734200 -102.379 15.7809 221.42 15.7835 79.9181 -59.0101 221.418 -59.0091 155.538 GPRESSURE: 734200 -114.101 20.3532 112.152 -6.51942 162.142 -51.0542 288.491 -48.4471 166.814 PRESSAVG: 734200 -38.8086 6.07924 -0.939134 6.07937 47.5169 -12.0233 -0.939134 -12.0233 -17.087 GPRESSAVG: 734200 -41.2086 7.33659 -2.57322 4.30159 49.3393 -12.6516 -0.959456 -8.95733 -16.7546 TIMING: 734200 CPU: 2175.6, 0.00294972/step Wall: 2175.6, 0.00294972/step, 3.49526 hours remaining, 206.199219 MB of memory in use. ENERGY: 734200 752.0414 2099.6654 1960.6568 108.1571 -206467.7693 18031.3932 0.0000 0.0000 34247.7151 -149268.1403 299.0938 -183515.8554 -149169.9971 299.8105 44.3589 71.6181 557162.8317 -2.7929 -2.8746 PRESSURE: 734400 -113.833 6.30564 -65.7317 6.30499 -153.914 -73.551 -65.7318 -73.5511 -87.2824 GPRESSURE: 734400 -110.373 20.2737 -46.4071 2.48039 -143.89 -87.8804 -10.8964 -127.214 -5.53581 PRESSAVG: 734400 20.2625 -10.5531 -14.4198 -10.5529 -7.15038 -87.5123 -14.4198 -87.5123 45.5593 GPRESSAVG: 734400 20.3525 -9.00638 -13.165 -10.6932 -8.46671 -86.2851 -12.5986 -88.5434 47.0426 TIMING: 734400 CPU: 2176.19, 0.00293263/step Wall: 2176.19, 0.00293264/step, 3.47485 hours remaining, 206.199219 MB of memory in use. ENERGY: 734400 749.3055 2033.8493 1966.3824 101.8018 -206225.7402 17774.6620 0.0000 0.0000 34364.2710 -149235.4683 300.1117 -183599.7393 -149135.4194 299.6691 -118.3434 -86.5996 558926.0901 19.5571 19.6428 PRESSURE: 734600 26.0768 141.959 -32.3593 141.959 187.545 52.3849 -32.3606 52.3839 0.305576 GPRESSURE: 734600 51.2221 125.194 -25.1739 167.413 225.388 45.7335 -13.8985 24.8585 26.931 PRESSAVG: 734600 17.3822 8.88882 4.91283 8.88876 37.996 -70.0709 4.91282 -70.0709 -58.5758 GPRESSAVG: 734600 19.3879 6.97995 4.5614 10.1873 37.1608 -70.8952 2.86843 -70.3078 -59.6318 TIMING: 734600 CPU: 2176.78, 0.00296298/step Wall: 2176.78, 0.00296298/step, 3.51064 hours remaining, 206.199219 MB of memory in use. ENERGY: 734600 713.1040 2019.4872 1945.1065 133.4108 -206431.2508 17991.2671 0.0000 0.0000 34332.6922 -149296.1829 299.8359 -183628.8752 -149201.9339 298.9821 71.3092 101.1803 557838.5016 -1.0659 -1.0277 PRESSURE: 734800 -96.8665 -17.3508 -84.2462 -17.35 -250.247 74.4828 -84.2456 74.4827 -86.8642 GPRESSURE: 734800 -109.229 27.5378 -87.2319 -34.9506 -197.887 86.5568 -131.395 95.1473 -29.3619 PRESSAVG: 734800 25.4064 4.97886 -20.7441 4.97888 -24.2577 20.7339 -20.7441 20.7339 6.38544 GPRESSAVG: 734800 24.4806 5.01462 -19.6686 3.82858 -24.723 20.2548 -20.178 20.7283 7.35011 TIMING: 734800 CPU: 2177.37, 0.00293598/step Wall: 2177.37, 0.00293598/step, 3.47848 hours remaining, 206.199219 MB of memory in use. ENERGY: 734800 729.7044 2074.7696 1975.3043 91.9196 -205587.3158 17475.5101 0.0000 0.0000 34213.0185 -149027.0893 298.7908 -183240.1078 -148933.1925 299.4144 -144.6593 -112.1594 559177.0816 2.5114 2.3692 PRESSURE: 735000 -100.873 90.0778 -105.335 90.078 104.401 12.4741 -105.336 12.4734 -147.619 GPRESSURE: 735000 -11.9812 52.0913 -103.132 104.722 86.6487 -21.2825 -98.6192 46.6741 -116.813 PRESSAVG: 735000 32.5735 6.2753 -20.6985 6.27535 56.1635 -8.94833 -20.6985 -8.94839 -71.2941 GPRESSAVG: 735000 32.4843 6.18967 -21.4956 6.60343 57.8475 -8.47182 -22.6872 -7.38048 -73.0343 TIMING: 735000 CPU: 2177.95, 0.00292192/step Wall: 2177.95, 0.00292192/step, 3.46166 hours remaining, 206.199219 MB of memory in use. ENERGY: 735000 738.1558 2149.9015 1919.7883 112.5886 -205953.5220 17675.7315 0.0000 0.0000 34504.0265 -148853.3298 301.3322 -183357.3564 -148760.1858 299.8064 -48.0304 -14.0487 558239.1000 5.8143 5.7658 PRESSURE: 735200 -112.216 -16.847 -153.209 -16.8477 -170.277 99.7603 -153.21 99.7597 -159.782 GPRESSURE: 735200 -43.3159 3.91187 -241.456 43.4628 -212.805 117.447 -123.956 103.049 -94.722 PRESSAVG: 735200 -41.0735 15.0754 2.3015 15.0754 7.70579 34.1263 2.30153 34.1263 54.3403 GPRESSAVG: 735200 -41.2897 15.0426 1.16264 14.7942 6.52999 34.706 5.16799 31.9331 55.3652 TIMING: 735200 CPU: 2178.54, 0.00295078/step Wall: 2178.54, 0.00295078/step, 3.49569 hours remaining, 206.199219 MB of memory in use. ENERGY: 735200 742.2109 2098.9120 1951.5049 111.6053 -205974.5215 17566.4726 0.0000 0.0000 34514.1733 -148989.6425 301.4209 -183503.8158 -148883.0753 300.1813 -147.4248 -116.9477 557347.6894 6.9909 6.8685 PRESSURE: 735400 -138.502 -47.9015 152.886 -47.9005 15.9065 245.461 152.884 245.461 282.278 GPRESSURE: 735400 -103.606 -94.5064 141.543 7.07722 44.5244 293.11 171.08 172.245 304.084 PRESSAVG: 735400 -76.6025 3.27614 18.0258 3.27618 -0.524155 20.0584 18.0258 20.0583 19.1755 GPRESSAVG: 735400 -76.193 2.79956 18.6164 2.45682 0.205669 18.9976 17.2527 19.4887 18.5307 TIMING: 735400 CPU: 2179.14, 0.00295959/step Wall: 2179.14, 0.00295959/step, 3.50596 hours remaining, 206.199219 MB of memory in use. ENERGY: 735400 777.2787 2112.6850 1913.4806 113.3553 -206337.4639 17946.2112 0.0000 0.0000 34547.1551 -148927.2980 301.7089 -183474.4532 -148827.3950 299.9722 53.2277 81.6672 557069.0410 -19.3171 -19.1522 PRESSURE: 735600 20.1614 21.6573 -128.614 21.6586 -218.39 101.257 -128.614 101.254 4.07661 GPRESSURE: 735600 69.1718 46.1909 -139.239 39.6368 -175.851 61.8339 -83.3758 93.7697 6.86808 PRESSAVG: 735600 19.0091 31.8871 -15.3886 31.8871 -23.217 37.6215 -15.3886 37.6214 46.5347 GPRESSAVG: 735600 19.3357 32.5703 -14.8853 32.0154 -22.7041 38.0121 -15.2425 37.6022 45.759 TIMING: 735600 CPU: 2179.73, 0.00296886/step Wall: 2179.73, 0.00296886/step, 3.51678 hours remaining, 206.199219 MB of memory in use. ENERGY: 735600 784.9646 2154.8248 1930.9261 116.1571 -206113.7543 17723.8628 0.0000 0.0000 34438.0917 -148964.9273 300.7564 -183403.0190 -148872.5890 300.3476 -64.7174 -33.2702 557726.4903 14.1089 14.1302 PRESSURE: 735800 42.0275 161.694 37.146 161.694 -291.783 9.27755 37.1461 9.27662 -439.467 GPRESSURE: 735800 45.2528 161.306 16.0716 170.095 -252.307 92.7824 54.5398 58.2714 -371.935 PRESSAVG: 735800 3.41152 55.9416 -2.84393 55.9415 11.3869 -16.0622 -2.8438 -16.0623 -74.6332 GPRESSAVG: 735800 4.00811 54.791 -2.42272 55.8847 11.4374 -15.7264 -3.24497 -14.8913 -75.071 TIMING: 735800 CPU: 2180.32, 0.00297658/step Wall: 2180.32, 0.00297658/step, 3.52576 hours remaining, 206.199219 MB of memory in use. ENERGY: 735800 785.4422 2044.4719 1951.5850 106.0317 -206029.1133 17710.3704 0.0000 0.0000 34433.2790 -148997.9331 300.7144 -183431.2120 -148895.1884 300.5356 -229.7408 -192.9963 558793.5561 -19.9449 -19.8752 PRESSURE: 736000 50.3547 231.281 -72.215 231.281 95.3979 -55.5528 -72.2136 -55.5523 -247.856 GPRESSURE: 736000 130.11 195.758 -75.456 246.549 38.0667 -45.1726 -8.879 -74.8605 -170.726 PRESSAVG: 736000 59.2347 71.5238 -58.0108 71.5236 0.921122 -13.7503 -58.0109 -13.7501 -82.004 GPRESSAVG: 736000 58.3713 73.0208 -60.1012 69.4966 -0.250829 -13.4367 -56.5975 -13.6727 -80.9148 TIMING: 736000 CPU: 2180.92, 0.00295618/step Wall: 2180.92, 0.00295618/step, 3.50143 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: 736000 777.4605 2101.6583 1956.8336 118.0844 -206490.9765 17903.2529 0.0000 0.0000 34485.7199 -149147.9670 301.1724 -183633.6869 -149053.8550 299.3848 -34.0344 -0.8500 557400.3474 -7.2827 -7.5981 PRESSURE: 736200 -227.346 -21.0166 14.4931 -21.0165 -206.057 29.9609 14.4932 29.9613 30.0439 GPRESSURE: 736200 -160.584 -5.71236 129.899 -23.3864 -205.439 46.8041 20.3565 -5.29068 64.1351 PRESSAVG: 736200 48.4216 -5.67352 -42.5534 -5.67348 4.73499 20.0504 -42.5534 20.0506 -29.9823 GPRESSAVG: 736200 48.5786 -6.96849 -43.2907 -3.41047 4.40435 22.6447 -44.7829 19.2464 -30.1408 TIMING: 736200 CPU: 2181.51, 0.00295758/step Wall: 2181.51, 0.00295758/step, 3.50293 hours remaining, 206.199219 MB of memory in use. ENERGY: 736200 739.1267 2109.3518 1951.5684 127.1539 -205962.5012 17545.4048 0.0000 0.0000 34423.4426 -149066.4529 300.6285 -183489.8955 -148973.1559 299.1203 -134.4532 -100.6291 558356.2425 7.7248 7.6141 LDB: ============= START OF LOAD BALANCING ============== 2184.94 LDB: ============== END OF LOAD BALANCING =============== 2184.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2184.94 LDB: ============= START OF LOAD BALANCING ============== 2185.24 LDB: Largest compute 4820 load 0.030772 is 26.1% of average load 0.117767 LDB: Average compute 0.001732 is 1.5% of average load 0.117767 LDB: TIME 2185.24 LOAD: AVG 0.117767 MAX 0.198172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 2185.24 LOAD: AVG 0.117767 MAX 0.198172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: TIME 2185.24 LOAD: AVG 0.117767 MAX 0.198172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2185.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2185.24 PRESSURE: 736400 -378.555 38.0614 -62.7311 38.0608 -106.716 7.25216 -62.7318 7.25161 -473.895 GPRESSURE: 736400 -367.7 55.6846 -95.7272 74.4706 -87.3027 -42.0291 -38.3493 -14.3586 -411.647 PRESSAVG: 736400 22.8225 44.837 -19.5286 44.837 34.1999 -3.33013 -19.5287 -3.33026 -23.6545 GPRESSAVG: 736400 22.1957 45.3959 -18.2769 43.9949 34.4376 -5.38265 -18.2075 -4.21955 -23.5755 TIMING: 736400 CPU: 2182.11, 0.00303746/step Wall: 2182.11, 0.00303746/step, 3.59736 hours remaining, 207.480469 MB of memory in use. ENERGY: 736400 725.7692 2115.2328 1939.4125 126.0995 -205647.7028 17354.0280 0.0000 0.0000 34270.2686 -149116.8923 299.2908 -183387.1609 -149021.8698 299.5472 -319.7220 -288.8832 560993.5288 11.1226 11.0193 PRESSURE: 736600 84.9953 139.472 162.307 139.471 -146.217 150.023 162.307 150.024 -148.673 GPRESSURE: 736600 109.046 178.774 208.749 114.333 -105.771 150.823 182.84 208.422 -122.267 PRESSAVG: 736600 -0.721465 -21.7873 -49.4462 -21.7873 -70.1607 -20.2873 -49.4462 -20.2873 32.0865 GPRESSAVG: 736600 0.438667 -21.2056 -49.1526 -23.6193 -71.6068 -19.7893 -48.5564 -20.5859 32.4332 TIMING: 736600 CPU: 2182.71, 0.00297598/step Wall: 2182.71, 0.00297598/step, 3.52438 hours remaining, 207.683594 MB of memory in use. ENERGY: 736600 730.2288 2104.1739 1946.6618 106.5578 -205982.6839 17644.8811 0.0000 0.0000 34318.2486 -149131.9320 299.7098 -183450.1805 -149028.1651 299.2708 -69.9649 -39.6643 558741.6087 -12.9319 -12.9116 PRESSURE: 736800 -357.002 121.505 -2.90884 121.504 -54.094 37.3545 -2.90956 37.3558 -331.527 GPRESSURE: 736800 -366.931 50.8815 5.424 165.028 -43.2708 16.3039 6.64611 66.1376 -224.753 PRESSAVG: 736800 47.4968 14.1493 2.30069 14.1493 7.77055 -20.6808 2.30069 -20.6808 -13.5095 GPRESSAVG: 736800 47.7831 12.9017 4.27108 15.4067 8.66854 -23.0098 0.463744 -16.7985 -14.8092 TIMING: 736800 CPU: 2183.3, 0.00296061/step Wall: 2183.3, 0.00296061/step, 3.50603 hours remaining, 207.683594 MB of memory in use. ENERGY: 736800 757.6465 2070.8299 1935.0366 109.9463 -205902.1140 17518.6947 0.0000 0.0000 34362.0856 -149147.8746 300.0926 -183509.9602 -149050.9147 299.4762 -247.5409 -211.6517 558466.1852 13.9193 13.8808 PRESSURE: 737000 67.536 103.238 141.511 103.238 122.865 -6.34076 141.511 -6.34153 55.0192 GPRESSURE: 737000 147.985 32.538 57.1004 141.653 160.876 -49.1874 88.6941 -10.3667 28.5153 PRESSAVG: 737000 -78.5977 45.9605 -45.3121 45.9605 9.89791 46.2786 -45.3121 46.2785 24.147 GPRESSAVG: 737000 -80.1574 45.5033 -44.318 46.8113 10.317 47.3586 -46.7928 43.9476 25.6402 TIMING: 737000 CPU: 2183.9, 0.00297555/step Wall: 2183.9, 0.00297555/step, 3.52355 hours remaining, 207.683594 MB of memory in use. ENERGY: 737000 765.2659 2086.0782 1956.5069 104.9087 -206213.9514 18034.0516 0.0000 0.0000 34076.0300 -149191.1101 297.5944 -183267.1400 -149103.8373 299.2369 81.8069 112.4590 556733.0766 -14.8509 -14.7334 PRESSURE: 737200 -217.073 154.721 1.18443 154.722 62.649 5.32238 1.186 5.32425 252.266 GPRESSURE: 737200 -233.883 188.323 -6.35237 181.452 135.7 -36.5209 20.1454 19.9568 282.274 PRESSAVG: 737200 -30.8168 30.1153 -20.3169 30.1153 -29.6827 18.3766 -20.3169 18.3766 47.7701 GPRESSAVG: 737200 -30.3544 32.019 -23.6412 30.0192 -29.756 20.421 -17.5862 18.826 47.1412 TIMING: 737200 CPU: 2184.49, 0.00296626/step Wall: 2184.49, 0.00296626/step, 3.51238 hours remaining, 207.683594 MB of memory in use. ENERGY: 737200 725.6754 2086.4172 1935.9116 120.8334 -206259.8313 17754.5433 0.0000 0.0000 34285.9734 -149350.4771 299.4279 -183636.4505 -149257.6894 299.0453 32.6140 61.3640 555602.0336 -4.2431 -4.3231 PRESSURE: 737400 14.6107 -108.308 21.4177 -108.308 -110.182 4.8514 21.4187 4.85077 -257.496 GPRESSURE: 737400 11.4381 -52.9801 66.0529 -90.4273 -99.341 14.1047 -45.6055 -30.9972 -162.153 PRESSAVG: 737400 23.3181 -13.9926 20.8919 -13.9926 5.2022 37.0323 20.892 37.0324 5.37721 GPRESSAVG: 737400 23.5274 -13.677 24.5394 -14.0258 4.74876 34.7982 19.4716 36.5449 5.87963 TIMING: 737400 CPU: 2185.08, 0.00296048/step Wall: 2185.08, 0.00296048/step, 3.50538 hours remaining, 207.683594 MB of memory in use. ENERGY: 737400 716.2482 2170.8685 1933.2134 114.4732 -205927.0278 17513.6242 0.0000 0.0000 34258.7921 -149219.8082 299.1906 -183478.6003 -149114.7848 299.7177 -117.6893 -83.3518 556575.9947 11.2992 11.3853 PRESSURE: 737600 -108.894 -144.536 -216.19 -144.535 -169.015 -66.0417 -216.189 -66.0427 -218.566 GPRESSURE: 737600 -80.665 -202.017 -270.402 -107.034 -142.935 4.24478 -115.516 -74.9551 -176.565 PRESSAVG: 737600 -7.5996 -1.79539 -73.1474 -1.79537 17.6031 54.1226 -73.1475 54.1226 13.4444 GPRESSAVG: 737600 -8.34255 -2.8777 -74.9187 -2.89129 17.1775 56.8927 -71.9348 53.1562 14.237 TIMING: 737600 CPU: 2185.68, 0.00297663/step Wall: 2185.68, 0.00297663/step, 3.52432 hours remaining, 207.683594 MB of memory in use. ENERGY: 737600 732.4997 2119.7082 1953.7519 117.1374 -205634.4508 17437.8971 0.0000 0.0000 34130.6587 -149142.7978 298.0715 -183273.4565 -149046.9132 299.2194 -165.4916 -133.3885 557727.9416 7.8160 7.6906 PRESSURE: 737800 -117.837 79.7498 33.7218 79.7495 -108.074 -46.5656 33.721 -46.5669 262.365 GPRESSURE: 737800 -120.229 105.013 -57.646 46.4436 -66.5513 -100.239 84.5454 -31.0537 326.829 PRESSAVG: 737800 21.2361 20.0494 32.8197 20.0494 -6.95678 20.5514 32.8197 20.5513 63.9342 GPRESSAVG: 737800 21.0866 19.3255 32.7431 19.1983 -6.79486 17.7485 31.6909 21.9755 63.5151 TIMING: 737800 CPU: 2186.28, 0.0029992/step Wall: 2186.28, 0.0029992/step, 3.55088 hours remaining, 207.683594 MB of memory in use. ENERGY: 737800 763.2246 2146.4778 1944.0372 116.5840 -206208.2793 17847.8058 0.0000 0.0000 34322.9068 -149067.2430 299.7505 -183390.1498 -148973.6810 299.7631 12.1515 46.6829 557800.7377 26.0712 25.9356 PRESSURE: 738000 3.68798 -60.5846 58.8322 -60.5848 52.9208 -74.271 58.8308 -74.271 31.4097 GPRESSURE: 738000 69.1468 -79.6885 106.71 -27.5849 61.9652 -138.323 47.5012 34.9149 43.2311 PRESSAVG: 738000 -13.1111 -19.3876 -21.7408 -19.3875 16.0834 -9.38129 -21.7408 -9.38136 -4.46523 GPRESSAVG: 738000 -11.9644 -18.1378 -20.727 -17.9436 16.2328 -9.39303 -21.8729 -8.86197 -5.88334 TIMING: 738000 CPU: 2186.87, 0.00296208/step Wall: 2186.87, 0.00296208/step, 3.50678 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: 738000 769.9934 2035.8590 1967.6089 118.0752 -206337.2749 17885.5939 0.0000 0.0000 34512.0058 -149048.1387 301.4019 -183560.1444 -148938.4655 299.9624 29.3395 58.1144 557011.6576 -0.4977 -0.5383 PRESSURE: 738200 -7.08483 75.879 170.133 75.8775 -185.984 113.133 170.132 113.133 -140.008 GPRESSURE: 738200 36.3362 122.235 110.076 -17.8508 -213.231 54.9362 276.314 149.022 -59.3506 PRESSAVG: 738200 -7.51424 -38.8197 43.566 -38.8196 27.5408 -11.0382 43.5661 -11.0383 5.59653 GPRESSAVG: 738200 -7.45934 -40.7111 41.8541 -39.431 27.3265 -10.1379 44.9641 -13.0393 6.09235 TIMING: 738200 CPU: 2187.46, 0.00295913/step Wall: 2187.46, 0.00295913/step, 3.50312 hours remaining, 207.683594 MB of memory in use. ENERGY: 738200 745.2586 2065.6499 1956.9285 119.8365 -205882.6636 17583.9260 0.0000 0.0000 34306.8844 -149104.1796 299.6106 -183411.0640 -149003.4336 299.7163 -111.0256 -78.7484 557827.0505 8.5410 8.6532 PRESSURE: 738400 -83.1922 -298.477 -67.503 -298.477 102.686 -15.061 -67.5037 -15.0627 -189.868 GPRESSURE: 738400 -2.04722 -216.258 -35.7389 -230.419 129.516 -18.8172 -57.0592 -61.0073 -196.344 PRESSAVG: 738400 9.9999 -19.2334 30.6776 -19.2335 -16.1101 -24.5122 30.6776 -24.5123 29.1248 GPRESSAVG: 738400 10.3021 -18.4322 31.3084 -18.1876 -15.2453 -26.8334 30.538 -21.8111 27.948 TIMING: 738400 CPU: 2188.05, 0.00294669/step Wall: 2188.05, 0.00294669/step, 3.48823 hours remaining, 207.683594 MB of memory in use. ENERGY: 738400 793.0011 2082.1601 1958.4828 127.1478 -205981.2929 17704.1238 0.0000 0.0000 34205.9916 -149110.3857 298.7294 -183316.3773 -149008.9915 299.6106 -56.7914 -22.9584 558341.0173 7.6715 7.6682 PRESSURE: 738600 -13.6868 -6.7955 62.5427 -6.79578 -164.178 -44.4146 62.5419 -44.4131 -148.633 GPRESSURE: 738600 -4.13671 -71.252 72.2075 55.2834 -97.8585 4.2569 42.689 -62.7169 -133.567 PRESSAVG: 738600 27.322 -24.5194 58.3986 -24.5194 5.4135 -29.2694 58.3986 -29.2695 -20.5396 GPRESSAVG: 738600 27.7067 -23.3565 60.3855 -25.6702 4.02716 -27.0578 57.2226 -31.8159 -19.6493 TIMING: 738600 CPU: 2188.64, 0.00294361/step Wall: 2188.64, 0.00294361/step, 3.48442 hours remaining, 207.683594 MB of memory in use. ENERGY: 738600 765.0094 2077.1877 1958.2209 118.2409 -206141.4471 17706.2894 0.0000 0.0000 34246.5964 -149269.9025 299.0840 -183516.4989 -149176.2078 300.0781 -108.8325 -78.5207 558645.9959 4.0653 4.0282 PRESSURE: 738800 -260.209 -43.5238 -60.8099 -43.5238 -19.3173 52.2543 -60.8098 52.2549 -3.86479 GPRESSURE: 738800 -206.319 -23.7451 -15.5449 -16.4284 -44.5913 30.2821 -21.3232 49.4107 74.2773 PRESSAVG: 738800 -43.2931 -51.0687 15.2209 -51.0686 33.2967 -43.4372 15.2208 -43.4373 39.2409 GPRESSAVG: 738800 -43.8692 -52.0974 14.1974 -51.1339 34.389 -45.2568 15.6469 -41.5748 39.0167 TIMING: 738800 CPU: 2189.24, 0.00297772/step Wall: 2189.24, 0.00297772/step, 3.52462 hours remaining, 207.683594 MB of memory in use. ENERGY: 738800 720.6682 2102.2000 1955.7373 114.9158 -206556.4363 17980.9462 0.0000 0.0000 34313.3243 -149368.6444 299.6668 -183681.9688 -149272.6977 299.1347 -94.4638 -58.8776 558603.1930 9.7482 9.8455 PRESSURE: 739000 -242.891 10.1776 -28.7389 10.1801 49.4181 -137.536 -28.7401 -137.535 -258.756 GPRESSURE: 739000 -229.253 -113.284 -42.3925 87.1765 67.195 -106.067 -47.9707 -124.19 -209.274 PRESSAVG: 739000 -39.0846 2.1188 4.60042 2.11891 17.2537 10.3043 4.60049 10.3042 47.9735 GPRESSAVG: 739000 -39.5119 1.73788 5.69508 3.18797 17.0018 11.8595 2.55737 9.74187 48.9441 TIMING: 739000 CPU: 2189.83, 0.00296702/step Wall: 2189.83, 0.00296702/step, 3.51179 hours remaining, 207.683594 MB of memory in use. ENERGY: 739000 766.9846 2048.0225 1950.4349 99.3313 -206111.1491 17693.1957 0.0000 0.0000 34242.7970 -149310.3830 299.0509 -183553.1800 -149211.5539 298.8777 -150.7428 -123.7771 560259.3384 8.7142 8.8113 PRESSURE: 739200 31.1433 20.6115 156.196 20.611 94.8448 -2.62838 156.196 -2.6305 -230.175 GPRESSURE: 739200 60.6757 25.7617 81.1389 82.0404 147.654 66.0239 165.183 76.3527 -216.227 PRESSAVG: 739200 -20.1838 31.2763 -15.9549 31.2763 13.8326 -11.2527 -15.9549 -11.2526 -11.6586 GPRESSAVG: 739200 -20.1797 31.7585 -17.0152 30.2778 14.1047 -12.3507 -13.9569 -9.7205 -11.6611 TIMING: 739200 CPU: 2190.43, 0.00298153/step Wall: 2190.43, 0.00298153/step, 3.52881 hours remaining, 207.683594 MB of memory in use. ENERGY: 739200 764.6742 2129.3881 1919.5621 116.3529 -206637.1151 18031.9354 0.0000 0.0000 34239.9727 -149435.2297 299.0262 -183675.2024 -149335.6172 298.6914 -34.7290 -2.6325 558085.7774 -6.0033 -5.9120 PRESSURE: 739400 150.559 127.839 -55.6649 127.839 65.1516 84.867 -55.6657 84.8675 117.827 GPRESSURE: 739400 163.031 144.139 36.3662 202.159 73.0385 138.131 -93.0741 113.407 185.448 PRESSAVG: 739400 -30.8259 30.8325 63.2741 30.8325 4.16812 22.9753 63.2741 22.9754 -5.09875 GPRESSAVG: 739400 -27.9678 31.4772 64.2587 30.5722 3.53582 23.3745 63.6774 22.2866 -6.59264 TIMING: 739400 CPU: 2191.02, 0.00295794/step Wall: 2191.02, 0.00295794/step, 3.50072 hours remaining, 207.683594 MB of memory in use. ENERGY: 739400 726.0924 2103.6665 1929.9578 110.8480 -206737.1113 18197.2249 0.0000 0.0000 34254.3647 -149414.9570 299.1519 -183669.3217 -149320.1278 297.9121 111.1794 140.5060 558791.5979 -10.5855 -10.3415 PRESSURE: 739600 -8.33287 18.9666 -12.8488 18.9679 -40.1604 112.824 -12.8481 112.824 -453.236 GPRESSURE: 739600 12.7164 72.8065 31.6458 24.1019 5.1982 127.427 17.2686 90.3446 -437.21 PRESSAVG: 739600 12.3385 -34.2979 -11.4031 -34.298 15.7879 -8.72304 -11.403 -8.72296 -10.3204 GPRESSAVG: 739600 11.0385 -32.9508 -14.6217 -34.7056 16.6153 -8.28242 -10.6872 -9.79919 -9.87098 TIMING: 739600 CPU: 2191.61, 0.00296006/step Wall: 2191.61, 0.00296006/step, 3.50306 hours remaining, 207.683594 MB of memory in use. ENERGY: 739600 745.3416 2107.9440 1907.2660 117.6478 -206451.4241 17712.4226 0.0000 0.0000 34216.2945 -149644.5077 298.8194 -183860.8022 -149547.2244 298.4120 -167.2430 -139.7652 557339.1499 5.9353 5.9276 PRESSURE: 739800 14.6801 12.4122 -66.3935 12.4127 41.5459 33.1893 -66.393 33.1907 139.276 GPRESSURE: 739800 48.7482 15.4855 -104.228 42.108 76.2546 27.4434 -16.7075 120.188 176.587 PRESSAVG: 739800 43.0016 -62.2076 7.40816 -62.2076 -15.123 42.8368 7.40817 42.8368 -18.7808 GPRESSAVG: 739800 43.7835 -64.805 8.67542 -62.3558 -15.3035 42.6755 7.57186 44.4767 -18.9276 TIMING: 739800 CPU: 2192.2, 0.00293717/step Wall: 2192.2, 0.00293717/step, 3.47581 hours remaining, 207.683594 MB of memory in use. ENERGY: 739800 765.8285 2039.3574 1942.3280 114.0026 -206760.4443 18124.0688 0.0000 0.0000 34019.7504 -149755.1086 297.1029 -183774.8590 -149660.1459 297.5136 65.1674 100.5298 556595.9219 3.0326 3.1841 PRESSURE: 740000 -70.905 -1.092 -99.3263 -1.09161 150.01 -173.573 -99.3276 -173.57 -70.4061 GPRESSURE: 740000 -23.179 -3.81977 -110.868 -24.7733 145.219 -124.692 -69.8579 -167.343 -17.4133 PRESSAVG: 740000 -8.11853 33.4805 -45.6637 33.4804 -31.704 -37.25 -45.6637 -37.2499 38.3606 GPRESSAVG: 740000 -8.47647 33.6838 -43.9408 33.3755 -31.5092 -36.8714 -46.2172 -39.2582 38.9213 TIMING: 740000 CPU: 2192.79, 0.00297228/step Wall: 2192.79, 0.00297228/step, 3.5172 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: 740000 714.3981 2096.1984 1955.3437 132.8732 -206560.9191 17613.7464 0.0000 0.0000 34286.7938 -149761.5655 299.4351 -184048.3592 -149659.2754 297.8813 2.8995 34.8755 555886.0143 -0.4873 -0.3548 PRESSURE: 740200 -229.256 94.6524 79.6146 94.653 5.08712 -188.333 79.6145 -188.332 -383.825 GPRESSURE: 740200 -209.917 176.578 92.3567 65.1211 28.5276 -133.103 20.5453 -181.057 -323.095 PRESSAVG: 740200 28.3569 38.0442 6.14848 38.0442 -12.54 -25.0757 6.14843 -25.0756 -28.2424 GPRESSAVG: 740200 28.5932 39.1064 5.46761 38.2443 -12.8933 -26.053 4.95357 -23.3193 -27.7544 TIMING: 740200 CPU: 2193.39, 0.00297612/step Wall: 2193.39, 0.00297612/step, 3.52158 hours remaining, 207.683594 MB of memory in use. ENERGY: 740200 787.4705 2107.3603 1943.5580 112.8972 -206428.4968 17711.8551 0.0000 0.0000 34009.4643 -149755.8913 297.0131 -183765.3556 -149657.6051 297.6492 -202.6648 -168.1615 556440.9023 -4.1418 -4.0182 LDB: ============= START OF LOAD BALANCING ============== 2196.82 LDB: ============== END OF LOAD BALANCING =============== 2196.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2196.82 LDB: ============= START OF LOAD BALANCING ============== 2197.12 LDB: Largest compute 4820 load 0.031746 is 26.9% of average load 0.117851 LDB: Average compute 0.001725 is 1.5% of average load 0.117851 LDB: TIME 2197.12 LOAD: AVG 0.117851 MAX 0.201397 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 2197.12 LOAD: AVG 0.117851 MAX 0.201397 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: TIME 2197.12 LOAD: AVG 0.117851 MAX 0.201397 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2197.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2197.12 PRESSURE: 740400 -218.51 -107.958 -99.6679 -107.958 -176.216 -30.4211 -99.6668 -30.4213 -104.51 GPRESSURE: 740400 -197.193 -35.0178 -88.9106 -190.867 -185.882 13.1539 -101.378 -3.8568 -28.7499 PRESSAVG: 740400 21.5375 -11.2906 -18.2565 -11.2906 -20.1388 9.53526 -18.2565 9.53531 -14.8103 GPRESSAVG: 740400 21.3729 -9.54895 -19.8656 -12.5493 -20.4404 9.83392 -17.1035 10.5318 -14.2567 TIMING: 740400 CPU: 2193.99, 0.00304398/step Wall: 2193.99, 0.00304398/step, 3.60171 hours remaining, 205.937500 MB of memory in use. ENERGY: 740400 770.2614 2089.4949 1967.7435 103.9791 -206240.8239 17564.4936 0.0000 0.0000 34123.3829 -149621.4684 298.0080 -183744.8514 -149527.6172 297.8711 -166.4120 -137.2752 558465.4130 -4.4705 -4.4414 PRESSURE: 740600 182.523 25.8856 -87.7701 25.8854 44.4511 214.767 -87.77 214.767 10.6066 GPRESSURE: 740600 184.655 -24.8607 -22.0096 65.2799 114.949 242.73 -47.5524 189.104 41.5717 PRESSAVG: 740600 5.62193 -45.0927 1.10301 -45.0927 0.0641443 10.4583 1.10298 10.4584 -19.9561 GPRESSAVG: 740600 5.72072 -47.7106 1.94605 -41.938 1.6599 11.6084 1.14081 8.59357 -21.4429 TIMING: 740600 CPU: 2194.59, 0.00297348/step Wall: 2194.59, 0.00297348/step, 3.51813 hours remaining, 205.937500 MB of memory in use. ENERGY: 740600 756.7526 2136.0345 1926.7097 104.3738 -206645.8261 18101.9806 0.0000 0.0000 34155.7159 -149464.2591 298.2904 -183619.9750 -149371.7624 298.0392 79.1936 113.7254 556029.9317 -4.7567 -4.6874 PRESSURE: 740800 174.642 211.936 -80.3077 211.936 -30.5574 -150.753 -80.3091 -150.753 -73.1479 GPRESSURE: 740800 173.717 98.9411 -52.0983 197.345 30.0823 -173.412 -106.03 -188.706 -40.4545 PRESSAVG: 740800 -25.5606 -5.9311 -2.23608 -5.93115 44.7904 -34.0032 -2.23606 -34.0031 -45.5352 GPRESSAVG: 740800 -25.1354 -5.53899 -1.7711 -6.3251 43.9892 -33.3243 -2.40611 -34.2001 -44.7967 TIMING: 740800 CPU: 2195.18, 0.00297177/step Wall: 2195.18, 0.00297177/step, 3.51593 hours remaining, 205.937500 MB of memory in use. ENERGY: 740800 770.3488 2063.2282 1970.3507 109.5838 -206288.1791 18001.7536 0.0000 0.0000 34021.7884 -149351.1255 297.1207 -183372.9139 -149260.1024 297.9045 23.6456 54.4482 558270.6826 -8.7685 -8.6476 PRESSURE: 741000 32.7912 -56.6039 96.3514 -56.603 -90.8668 -109.139 96.3505 -109.139 -30.52 GPRESSURE: 741000 28.8879 29.6565 156.019 -77.2381 -55.75 -80.6456 67.924 -43.1176 45.7435 PRESSAVG: 741000 12.5274 47.9724 -7.71861 47.9724 -44.177 -44.6183 -7.71859 -44.6186 36.1232 GPRESSAVG: 741000 12.0187 48.0713 -8.61471 45.7253 -44.6345 -46.5634 -6.64197 -43.6396 37.1225 TIMING: 741000 CPU: 2195.78, 0.00297375/step Wall: 2195.78, 0.00297375/step, 3.51811 hours remaining, 205.937500 MB of memory in use. ENERGY: 741000 743.3243 2124.7994 1965.1994 118.7892 -206076.8194 17834.8265 0.0000 0.0000 34133.5188 -149156.3618 298.0965 -183289.8806 -149055.1675 299.4875 -29.5319 6.2938 557932.8945 1.4912 1.5023 PRESSURE: 741200 -292.196 -100.469 -21.4037 -100.468 -88.6181 -45.7714 -21.4034 -45.7717 124.633 GPRESSURE: 741200 -270.381 -68.4503 0.99113 -91.2026 -33.6451 -36.7852 -25.4092 -33.4716 149.204 PRESSAVG: 741200 -47.612 -49.3408 31.9452 -49.3408 56.6852 -65.8619 31.9452 -65.8619 -25.4604 GPRESSAVG: 741200 -46.4168 -49.6319 28.9862 -48.5188 56.3169 -65.9804 31.9506 -63.6382 -26.9021 TIMING: 741200 CPU: 2196.37, 0.00294699/step Wall: 2196.37, 0.00294699/step, 3.48629 hours remaining, 205.937500 MB of memory in use. ENERGY: 741200 754.8924 2107.9413 1980.1100 123.8767 -205918.0784 17675.9376 0.0000 0.0000 34183.2698 -149092.0508 298.5310 -183275.3206 -148994.6261 299.5256 -85.3936 -51.6077 558301.6119 -5.4624 -5.6673 PRESSURE: 741400 143.303 -75.4481 -58.2778 -75.4468 99.3732 -125.302 -58.2771 -125.302 172.9 GPRESSURE: 741400 174.323 -53.4873 -153.603 -77.6861 158.707 -108.169 -34.5169 -144.693 179.523 PRESSAVG: 741400 -21.409 -14.128 -30.1184 -14.1279 20.205 -4.08124 -30.1183 -4.08128 31.0983 GPRESSAVG: 741400 -23.279 -13.2285 -28.261 -13.45 20.4282 -4.66986 -31.0551 -6.32987 32.4248 TIMING: 741400 CPU: 2196.96, 0.00295817/step Wall: 2196.96, 0.00295817/step, 3.49935 hours remaining, 205.937500 MB of memory in use. ENERGY: 741400 718.4684 2099.3970 1961.3517 114.8180 -206078.4710 17839.3450 0.0000 0.0000 34347.3459 -148997.7450 299.9639 -183345.0909 -148896.0458 299.5684 138.5254 170.8510 556526.1380 9.9648 9.8580 PRESSURE: 741600 -144.876 81.0421 -81.2562 81.0415 114.835 -100.089 -81.2564 -100.089 -99.6503 GPRESSURE: 741600 -119.043 115.466 -128.429 134.067 161.985 -163.411 -15.0672 2.71712 -59.0376 PRESSAVG: 741600 -34.5935 -1.1944 -34.2661 -1.19437 79.0775 11.0744 -34.2661 11.0744 -44.8444 GPRESSAVG: 741600 -33.4476 -2.78837 -33.6913 -0.34828 78.1734 10.846 -33.5338 11.7782 -44.888 TIMING: 741600 CPU: 2197.55, 0.00295345/step Wall: 2197.55, 0.00295345/step, 3.4936 hours remaining, 205.937500 MB of memory in use. ENERGY: 741600 757.9580 2086.0305 1961.2587 118.4010 -206088.3732 17765.5695 0.0000 0.0000 34290.8556 -149108.2998 299.4706 -183399.1554 -149015.8583 300.1704 -43.2306 -5.3649 556657.2563 -0.1201 -0.0541 PRESSURE: 741800 53.0511 46.1202 141.612 46.1216 8.51054 -146.038 141.612 -146.037 264.897 GPRESSURE: 741800 110.795 78.409 110.896 14.0441 59.2799 -200.148 112.34 -40.8848 246.229 PRESSAVG: 741800 32.889 -2.44117 -29.2771 -2.44115 21.8822 -33.692 -29.2772 -33.6919 9.81942 GPRESSAVG: 741800 31.2577 -0.0474595 -29.2854 -2.31828 23.8375 -29.6718 -29.341 -35.4798 9.5268 TIMING: 741800 CPU: 2198.14, 0.00295916/step Wall: 2198.14, 0.00295916/step, 3.50019 hours remaining, 205.937500 MB of memory in use. ENERGY: 741800 725.3477 2128.6227 1975.3439 119.7538 -206433.3303 17916.5532 0.0000 0.0000 34345.0463 -149222.6625 299.9438 -183567.7089 -149126.4134 300.1651 108.8194 138.7681 555650.3452 21.5302 21.5407 PRESSURE: 742000 -427.899 124.789 -24.3831 124.79 48.2979 -15.457 -24.3832 -15.458 -245.195 GPRESSURE: 742000 -374.383 88.236 -93.2326 64.9912 31.8715 -59.0109 -68.1308 -9.96028 -182.695 PRESSAVG: 742000 64.191 20.6551 1.83535 20.6551 15.1339 -64.2668 1.83528 -64.2669 -68.307 GPRESSAVG: 742000 64.2587 17.6065 1.93426 21.8194 15.072 -67.5727 1.28759 -62.4851 -68.8518 TIMING: 742000 CPU: 2198.74, 0.00299228/step Wall: 2198.74, 0.00299228/step, 3.5392 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: 742000 751.0430 2130.3131 1927.4796 109.0974 -205939.1909 17602.3563 0.0000 0.0000 34236.8585 -149182.0430 298.9990 -183418.9015 -149084.3953 299.7116 -208.2656 -175.0689 558571.8410 3.6727 3.4930 PRESSURE: 742200 78.7116 -2.67296 232.946 -2.67191 412.244 68.9216 232.945 68.9217 -158.924 GPRESSURE: 742200 114.834 -19.0556 201.626 -4.02344 370.812 65.1394 122.171 14.4585 -51.283 PRESSAVG: 742200 -10.222 19.4236 -15.5359 19.4235 26.2857 -13.5604 -15.5359 -13.5604 -30.3381 GPRESSAVG: 742200 -8.89352 22.6949 -15.1416 17.8268 25.7039 -13.3307 -15.3619 -14.211 -31.327 TIMING: 742200 CPU: 2199.34, 0.00297231/step Wall: 2199.34, 0.00297231/step, 3.51542 hours remaining, 205.937500 MB of memory in use. ENERGY: 742200 739.3713 2121.1637 1981.9665 117.1358 -206629.5151 18130.4094 0.0000 0.0000 34330.8396 -149208.6287 299.8198 -183539.4683 -149108.3328 300.1052 110.6774 144.7876 557001.1619 -4.7582 -4.8389 PRESSURE: 742400 -190.807 -19.379 30.197 -19.3785 64.0648 -3.1302 30.196 -3.13213 48.6724 GPRESSURE: 742400 -145.216 -34.3167 29.8327 -64.2688 125.267 34.5847 -18.4011 -15.6308 44.3828 PRESSAVG: 742400 23.2413 12.5037 -8.27273 12.5036 24.3675 -3.1035 -8.27278 -3.10343 -7.03273 GPRESSAVG: 742400 23.0239 10.8835 -8.33534 11.3328 24.1786 -2.99777 -7.24884 -1.18752 -6.51034 TIMING: 742400 CPU: 2199.93, 0.00295726/step Wall: 2199.93, 0.00295726/step, 3.49745 hours remaining, 205.937500 MB of memory in use. ENERGY: 742400 747.5147 2082.7604 1984.1924 135.0314 -206248.9761 17747.2780 0.0000 0.0000 34198.4556 -149353.7437 298.6636 -183552.1993 -149257.6774 299.9880 -26.0231 8.1444 558347.7164 13.5254 13.5640 PRESSURE: 742600 -132.873 -9.54819 24.9447 -9.54866 60.8386 -104.68 24.9436 -104.68 86.4098 GPRESSURE: 742600 -81.5542 -29.4977 55.2725 -3.76745 73.5114 -104.348 66.4491 -89.5098 122.046 PRESSAVG: 742600 -42.1912 -34.9479 5.95029 -34.9479 39.223 3.63283 5.95033 3.63275 47.7792 GPRESSAVG: 742600 -42.6343 -32.6603 4.41332 -34.6583 39.8622 5.03643 5.32619 2.05104 48.045 TIMING: 742600 CPU: 2200.52, 0.00296634/step Wall: 2200.52, 0.00296634/step, 3.50802 hours remaining, 205.937500 MB of memory in use. ENERGY: 742600 747.1885 2085.0906 1975.8049 114.4695 -206366.7786 17904.9004 0.0000 0.0000 34014.1588 -149525.1659 297.0541 -183539.3247 -149429.7855 299.1293 4.7919 38.0009 556931.7018 14.9370 15.0910 PRESSURE: 742800 -276.462 -64.507 61.8397 -64.5068 -616.848 33.6105 61.8397 33.6091 -194.591 GPRESSURE: 742800 -227.525 -151.224 159.126 -6.62868 -583.474 121.287 22.3355 26.9799 -172.435 PRESSAVG: 742800 -28.1337 4.8319 -31.8721 4.83189 53.7593 -51.7758 -31.8721 -51.7759 -11.9516 GPRESSAVG: 742800 -28.1417 2.1233 -28.373 6.07041 54.4694 -52.429 -33.851 -52.0066 -12.4303 TIMING: 742800 CPU: 2201.12, 0.00298419/step Wall: 2201.12, 0.00298419/step, 3.52898 hours remaining, 205.937500 MB of memory in use. ENERGY: 742800 769.3457 2084.7167 1943.9825 110.2032 -206043.3597 17280.0570 0.0000 0.0000 34308.1627 -149546.8919 299.6217 -183855.0545 -149444.8826 298.5275 -362.6335 -327.8114 557063.8784 4.5580 4.6324 PRESSURE: 743000 -121.665 28.2644 206.985 28.2648 35.3369 13.4181 206.984 13.4185 300.511 GPRESSURE: 743000 -61.5603 11.1564 231.785 47.0697 63.5509 78.839 114.131 119.948 305.142 PRESSAVG: 743000 26.5315 -4.43261 11.3951 -4.43258 -30.2502 -9.89255 11.3951 -9.89254 50.1982 GPRESSAVG: 743000 28.2476 -2.58023 10.0556 -4.64413 -32.8559 -8.19617 12.5308 -10.4732 51.3916 TIMING: 743000 CPU: 2201.71, 0.00296859/step Wall: 2201.71, 0.00296859/step, 3.51035 hours remaining, 205.937500 MB of memory in use. ENERGY: 743000 723.5019 2085.1044 1979.4530 112.1243 -206726.3904 18005.3630 0.0000 0.0000 34342.1114 -149478.7324 299.9182 -183820.8438 -149383.8545 298.5917 71.3943 102.3774 556688.4669 15.4932 15.5944 PRESSURE: 743200 125.145 9.76721 103.15 9.767 159.231 12.2827 103.15 12.285 -246.877 GPRESSURE: 743200 103.52 69.3803 139.529 25.9262 170.719 -48.3576 38.4896 68.8088 -149.313 PRESSAVG: 743200 -30.5515 11.7611 63.3731 11.7611 74.403 -34.2207 63.3731 -34.2207 -23.9033 GPRESSAVG: 743200 -31.1576 10.5085 63.0415 12.1173 75.7146 -36.181 64.3129 -30.9915 -23.8937 TIMING: 743200 CPU: 2202.3, 0.00296517/step Wall: 2202.3, 0.00296517/step, 3.50615 hours remaining, 205.937500 MB of memory in use. ENERGY: 743200 746.7245 2136.0994 1969.2578 113.1466 -206477.5247 17981.9401 0.0000 0.0000 33974.9085 -149555.4479 296.7113 -183530.3563 -149459.4058 298.5732 12.4995 41.6421 557768.5438 6.6494 6.8878 PRESSURE: 743400 -73.6413 69.2978 -2.53694 69.2976 114.792 220.837 -2.53638 220.837 -22.0686 GPRESSURE: 743400 -13.3051 61.6136 -38.546 51.9387 127.894 262.818 23.1049 166.143 -10.8464 PRESSAVG: 743400 -1.49721 -12.6444 31.7907 -12.6444 -46.5831 17.3832 31.7908 17.3833 -1.65019 GPRESSAVG: 743400 -2.62199 -13.6553 32.3327 -13.5183 -46.4327 18.523 29.7084 15.0458 -0.541119 TIMING: 743400 CPU: 2202.89, 0.00294794/step Wall: 2202.89, 0.00294794/step, 3.48561 hours remaining, 205.937500 MB of memory in use. ENERGY: 743400 754.2121 2100.8043 1944.2313 132.6073 -206676.7848 18060.6922 0.0000 0.0000 34365.4575 -149318.7802 300.1221 -183684.2377 -149221.7744 298.3244 6.3607 34.5810 558439.7512 -16.5768 -16.5319 PRESSURE: 743600 -128.75 73.9101 -160.4 73.912 28.114 58.1737 -160.4 58.1726 -229.382 GPRESSURE: 743600 -109.463 49.6961 -42.701 94.8112 62.5532 189.43 -209.811 -24.479 -193.484 PRESSAVG: 743600 -7.96605 -22.621 5.72369 -22.6211 34.7325 47.3499 5.72373 47.3498 22.4082 GPRESSAVG: 743600 -7.48194 -22.1111 4.47471 -21.2927 35.2959 45.1811 5.45964 47.7423 21.1383 TIMING: 743600 CPU: 2203.49, 0.00297182/step Wall: 2203.49, 0.00297182/step, 3.51368 hours remaining, 205.937500 MB of memory in use. ENERGY: 743600 789.5872 2113.5257 1942.8350 121.8012 -206196.3445 17723.7721 0.0000 0.0000 34102.4872 -149402.3360 297.8255 -183504.8232 -149301.6927 298.5882 -110.0059 -80.1312 559415.9370 16.3916 16.3174 PRESSURE: 743800 -7.93288 11.906 101.464 11.9071 -357.538 147.5 101.464 147.5 -216.029 GPRESSURE: 743800 4.03743 30.032 -5.81144 84.0678 -273.798 181.754 143.67 67.292 -217.025 PRESSAVG: 743800 62.2628 19.6461 -15.3479 19.6462 -35.8116 19.6701 -15.348 19.6702 -37.8797 GPRESSAVG: 743800 62.3095 22.4885 -14.0355 18.848 -36.1449 21.4649 -15.3641 19.4174 -37.3946 TIMING: 743800 CPU: 2204.09, 0.00299027/step Wall: 2204.09, 0.00299027/step, 3.53533 hours remaining, 205.937500 MB of memory in use. ENERGY: 743800 781.8304 2113.2181 1985.2407 112.7534 -206287.5266 17781.9453 0.0000 0.0000 34194.0119 -149318.5267 298.6248 -183512.5386 -149231.1249 298.6149 -193.8334 -162.2620 559363.5697 -3.8095 -3.7433 PRESSURE: 744000 -377.089 87.6903 18.3777 87.6906 -97.4878 26.8735 18.3778 26.8729 -191.351 GPRESSURE: 744000 -297.827 119.205 17.4245 106.298 -72.0699 40.4856 15.5237 -9.85668 -203.584 PRESSAVG: 744000 -10.3766 40.2166 36.0629 40.2166 -37.4824 30.2855 36.0629 30.2856 7.29469 GPRESSAVG: 744000 -10.8335 41.1484 33.2872 38.5051 -37.5132 32.6022 37.8401 29.2882 7.02701 TIMING: 744000 CPU: 2204.68, 0.00297317/step Wall: 2204.68, 0.00297317/step, 3.51495 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: 744000 767.8824 2109.2132 1966.7183 100.8464 -205722.3114 17590.7053 0.0000 0.0000 34153.6321 -149033.3137 298.2722 -183186.9457 -148950.1116 299.3045 -221.9761 -191.1602 559787.7308 -13.5214 -13.7732 PRESSURE: 744200 -85.0466 -74.8947 25.0451 -74.8939 -242.938 33.3755 25.0455 33.3741 7.41096 GPRESSURE: 744200 -32.8963 -67.884 41.7188 -57.5049 -208.769 50.989 7.18317 59.7098 13.2439 PRESSAVG: 744200 41.6288 -39.0314 -20.6298 -39.0313 -64.8477 34.8079 -20.6298 34.8079 28.9164 GPRESSAVG: 744200 42.009 -41.3808 -16.7342 -38.0536 -66.2019 31.4109 -20.8285 36.0038 30.0982 TIMING: 744200 CPU: 2205.27, 0.00297118/step Wall: 2205.27, 0.00297118/step, 3.51243 hours remaining, 205.937500 MB of memory in use. ENERGY: 744200 763.1749 2011.7131 1984.4669 114.6832 -205678.0601 17612.9675 0.0000 0.0000 34505.5638 -148685.4908 301.3457 -183191.0545 -148584.9997 300.0858 -106.8578 -76.1405 558576.5776 1.8992 1.9684 LDB: ============= START OF LOAD BALANCING ============== 2208.7 LDB: ============== END OF LOAD BALANCING =============== 2208.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2208.7 LDB: ============= START OF LOAD BALANCING ============== 2209 LDB: Largest compute 4820 load 0.029621 is 25.2% of average load 0.117756 LDB: Average compute 0.001719 is 1.5% of average load 0.117756 LDB: TIME 2209 LOAD: AVG 0.117756 MAX 0.197486 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 2209 LOAD: AVG 0.117756 MAX 0.197486 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: TIME 2209 LOAD: AVG 0.117756 MAX 0.197486 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2209.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2209.01 PRESSURE: 744400 -40.1479 95.9872 -67.4424 95.9875 119.018 -1.54973 -67.4437 -1.5494 -21.2215 GPRESSURE: 744400 -9.27246 118.268 27.4267 25.1995 132.956 -31.5797 -149.086 55.1306 44.3928 PRESSAVG: 744400 17.3014 18.393 26.7957 18.3928 -12.8452 34.0232 26.7957 34.0231 43.3351 GPRESSAVG: 744400 17.719 18.4351 25.0742 18.0462 -11.4088 34.4532 24.7016 33.9482 42.0476 TIMING: 744400 CPU: 2205.88, 0.00302948/step Wall: 2205.88, 0.00302948/step, 3.58118 hours remaining, 205.734375 MB of memory in use. ENERGY: 744400 741.2337 2041.4331 1943.4027 118.3225 -205891.4382 17995.7552 0.0000 0.0000 34320.9907 -148730.3004 299.7337 -183051.2911 -148631.1077 300.6691 19.2163 56.0256 558821.5838 15.9304 16.1193 PRESSURE: 744600 103.524 -62.3087 95.6607 -62.3079 201.143 143.43 95.6608 143.43 234.028 GPRESSURE: 744600 138.917 -32.7912 80.7353 -55.9429 237.526 85.9814 143.449 147.235 253.738 PRESSAVG: 744600 28.8079 -26.4439 3.60828 -26.4438 -45.5244 64.9445 3.60834 64.9445 0.576705 GPRESSAVG: 744600 29.6163 -24.4017 1.67616 -25.8753 -46.108 66.0658 5.23177 64.1652 0.177531 TIMING: 744600 CPU: 2206.48, 0.00298936/step Wall: 2206.48, 0.00298936/step, 3.53359 hours remaining, 205.937500 MB of memory in use. ENERGY: 744600 744.0779 2051.1533 1975.3422 126.9200 -205917.0685 17880.4157 0.0000 0.0000 34514.3995 -148624.7599 301.4228 -183139.1594 -148535.0128 301.1837 179.5649 210.0607 557443.4981 -5.3799 -5.4381 PRESSURE: 744800 360.239 -83.2944 187.524 -83.2941 31.8535 214.236 187.524 214.235 255.027 GPRESSURE: 744800 395.216 -100.634 182.402 -31.9075 36.1912 191.342 159.026 164.522 311.772 PRESSAVG: 744800 30.4601 -9.22854 40.8039 -9.22851 -12.806 30.0849 40.8039 30.0849 -12.5874 GPRESSAVG: 744800 30.125 -11.5972 42.2886 -8.78667 -13.4058 29.9442 40.963 30.3347 -11.6719 TIMING: 744800 CPU: 2207.07, 0.00297589/step Wall: 2207.07, 0.00297589/step, 3.5175 hours remaining, 205.937500 MB of memory in use. ENERGY: 744800 734.2493 2132.3663 1966.5509 116.0178 -206222.6090 18133.1686 0.0000 0.0000 34440.7877 -148699.4683 300.7800 -183140.2560 -148605.8002 300.6341 215.7065 247.7262 557040.8164 1.6889 1.6824 PRESSURE: 745000 126.827 -92.3148 -40.0141 -92.3136 74.7027 -41.0489 -40.0137 -41.0488 217.63 GPRESSURE: 745000 177.609 -49.516 -22.9113 -69.7182 67.2593 -150.642 -37.2035 -13.8816 264.007 PRESSAVG: 745000 7.61729 -50.855 -18.3032 -50.855 14.5297 -6.34997 -18.3033 -6.34998 4.05675 GPRESSAVG: 745000 7.90276 -50.1613 -17.2959 -52.1039 14.7334 -6.59045 -18.9911 -4.60174 3.52848 TIMING: 745000 CPU: 2207.67, 0.00296999/step Wall: 2207.67, 0.00296999/step, 3.51037 hours remaining, 205.937500 MB of memory in use. ENERGY: 745000 752.9402 2057.3627 1976.0607 108.4075 -205877.3090 17911.4564 0.0000 0.0000 34177.8279 -148893.2537 298.4835 -183071.0815 -148790.1600 300.1469 139.7199 169.6251 557242.7735 8.7346 8.7216 PRESSURE: 745200 -184.615 51.0821 -75.4879 51.0834 -113.484 -14.4323 -75.4881 -14.4324 -265.577 GPRESSURE: 745200 -169.601 95.913 -44.2573 54.0259 -52.9691 -27.1248 -145.2 15.1713 -232.799 PRESSAVG: 745200 22.1699 -30.9407 -7.54103 -30.9407 -29.5903 -37.7063 -7.54101 -37.7064 -5.9666 GPRESSAVG: 745200 22.5782 -30.0318 -9.4825 -32.0153 -29.8471 -37.7894 -6.02083 -36.4485 -5.89065 TIMING: 745200 CPU: 2208.26, 0.00297287/step Wall: 2208.26, 0.00297287/step, 3.5136 hours remaining, 205.937500 MB of memory in use. ENERGY: 745200 745.4698 2120.0812 1954.0378 116.2965 -205741.0770 17520.0571 0.0000 0.0000 34294.2835 -148990.8511 299.5005 -183285.1346 -148891.1949 299.6372 -187.8923 -151.7897 558280.9519 -4.4624 -4.3865 PRESSURE: 745400 -175.188 36.9703 -141.645 36.9707 -205.353 -89.8678 -141.647 -89.8674 151.843 GPRESSURE: 745400 -150.004 93.8864 -52.7469 57.7226 -185.521 -74.5772 -169.606 -91.8661 209.157 PRESSAVG: 745400 29.334 44.0838 -47.3747 44.0838 -50.9893 2.26268 -47.3747 2.2628 43.1447 GPRESSAVG: 745400 28.4718 43.8594 -44.9634 45.7016 -50.0341 1.63988 -48.5367 1.76013 43.5779 TIMING: 745400 CPU: 2208.86, 0.00298079/step Wall: 2208.86, 0.00298079/step, 3.5228 hours remaining, 205.937500 MB of memory in use. ENERGY: 745400 734.6863 2052.7676 1960.4684 113.0196 -206041.2810 17684.4769 0.0000 0.0000 34401.8935 -149093.9685 300.4403 -183495.8621 -148995.2177 299.5657 -76.2326 -42.1224 557754.2878 7.1631 7.3385 PRESSURE: 745600 132.454 9.57038 -70.2808 9.56995 -26.2007 6.32243 -70.2805 6.32208 -11.5691 GPRESSURE: 745600 94.8804 76.4865 -116.513 -101.128 21.7105 70.0646 -12.0381 -37.6763 77.1201 PRESSAVG: 745600 -10.7866 6.85548 -25.2743 6.85545 40.7957 -37.4665 -25.2742 -37.4665 -32.5494 GPRESSAVG: 745600 -10.9122 7.84762 -26.7665 3.96584 40.8104 -35.6814 -24.9082 -38.5309 -32.2164 TIMING: 745600 CPU: 2209.45, 0.00296644/step Wall: 2209.45, 0.00296644/step, 3.50568 hours remaining, 205.937500 MB of memory in use. ENERGY: 745600 762.9736 2031.5659 1950.4861 122.7661 -206269.6729 17973.4252 0.0000 0.0000 34346.0482 -149082.4078 299.9526 -183428.4560 -148987.0812 299.5014 31.5613 64.5703 557369.8056 -0.8468 -0.7728 PRESSURE: 745800 -191.347 85.3567 52.7289 85.3566 -97.4086 93.0425 52.7293 93.0433 -100.648 GPRESSURE: 745800 -134.509 119.561 12.8098 121.373 -121.01 70.9854 101.923 122.08 -45.9018 PRESSAVG: 745800 24.9713 -62.1635 17.4261 -62.1635 -33.3437 45.2124 17.4261 45.2125 1.21891 GPRESSAVG: 745800 25.6052 -64.0609 17.9801 -60.154 -33.2881 42.8177 19.6606 45.9608 0.424127 TIMING: 745800 CPU: 2210.04, 0.00296794/step Wall: 2210.04, 0.00296794/step, 3.50729 hours remaining, 205.937500 MB of memory in use. ENERGY: 745800 702.2124 2071.0554 1958.2166 114.2237 -206012.3093 17579.2732 0.0000 0.0000 34336.8310 -149250.4970 299.8721 -183587.3280 -149149.9588 299.5139 -129.8012 -100.4736 558127.4466 -2.3845 -2.4196 PRESSURE: 746000 -148.012 -19.9687 -53.1113 -19.9685 -289.748 23.9611 -53.1108 23.9619 -263.796 GPRESSURE: 746000 -100.225 -36.7725 -78.3573 -20.676 -266.903 11.5909 -54.76 63.5289 -238.037 PRESSAVG: 746000 17.7648 -3.74829 3.02055 -3.7483 -8.33262 7.72581 3.02061 7.72587 -27.9008 GPRESSAVG: 746000 16.9207 -3.01035 3.03795 -3.38774 -7.81978 9.39027 2.77311 6.54283 -27.3594 TIMING: 746000 CPU: 2210.63, 0.00294158/step Wall: 2210.63, 0.00294158/step, 3.47596 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: 746000 747.9127 2009.8032 1957.3007 107.3662 -205440.2686 17349.7659 0.0000 0.0000 34212.2203 -149055.8996 298.7838 -183268.1199 -148961.0924 299.1444 -233.8523 -201.7218 557389.6521 -6.1562 -6.0862 PRESSURE: 746200 -94.2272 -14.7987 -81.3099 -14.7963 -93.3888 -28.3317 -81.3099 -28.3306 -132.753 GPRESSURE: 746200 -85.3405 -68.3029 -60.5908 9.98669 -5.89851 -43.4703 -49.0294 15.9356 -116.304 PRESSAVG: 746200 15.8513 -43.4047 8.99429 -43.4048 28.4916 -8.00523 8.9943 -8.00516 -32.8907 GPRESSAVG: 746200 14.1963 -43.5291 9.99974 -42.6899 30.0026 -7.22104 8.41799 -6.74927 -32.3517 TIMING: 746200 CPU: 2211.22, 0.00293457/step Wall: 2211.22, 0.00293457/step, 3.46752 hours remaining, 205.937500 MB of memory in use. ENERGY: 746200 733.9948 2047.3351 1980.1062 123.7435 -206122.2116 17805.6135 0.0000 0.0000 34187.4159 -149244.0027 298.5672 -183431.4186 -149153.0192 298.9063 -106.7898 -69.1812 558530.1897 3.8174 3.9491 PRESSURE: 746400 -59.349 68.5042 149.779 68.5038 -75.986 -121.311 149.78 -121.311 -112.702 GPRESSURE: 746400 -55.38 26.6974 151.823 185.955 -54.0124 -147.608 159.211 0.215304 -41.9705 PRESSAVG: 746400 51.4156 18.1752 65.1363 18.175 -39.0725 -17.008 65.1363 -17.008 -1.90096 GPRESSAVG: 746400 51.9444 18.8574 63.7104 18.8238 -38.0625 -17.1345 65.2156 -18.2731 -3.72873 TIMING: 746400 CPU: 2211.81, 0.00294688/step Wall: 2211.81, 0.00294688/step, 3.48191 hours remaining, 205.937500 MB of memory in use. ENERGY: 746400 804.0241 2041.5472 1956.0233 115.9051 -206106.7184 17831.8916 0.0000 0.0000 34416.4466 -148940.8806 300.5674 -183357.3271 -148846.4109 299.4820 -82.6791 -50.4543 558134.4952 3.4807 3.3844 PRESSURE: 746600 30.4362 107.442 29.8451 107.442 -347.539 -214.522 29.8447 -214.523 -410.681 GPRESSURE: 746600 28.4619 169.189 2.17813 121.03 -291.464 -155.151 59.5861 -181.554 -369.611 PRESSAVG: 746600 16.8498 9.25051 36.4 9.25046 4.063 40.627 36.4 40.627 -18.3571 GPRESSAVG: 746600 17.5592 10.2125 36.0654 8.74554 2.68231 41.4776 36.3924 42.0983 -17.2701 TIMING: 746600 CPU: 2212.4, 0.00295685/step Wall: 2212.4, 0.00295685/step, 3.49352 hours remaining, 205.937500 MB of memory in use. ENERGY: 746600 786.5877 2066.0720 1954.2274 118.6794 -205748.4667 17563.5657 0.0000 0.0000 34160.1899 -149099.1447 298.3294 -183259.3346 -148997.1655 299.4961 -242.5947 -210.8709 558076.5167 0.8519 0.9904 PRESSURE: 746800 78.7434 1.53441 -83.1293 1.53438 178.704 -24.787 -83.13 -24.787 -8.67516 GPRESSURE: 746800 119.925 151.809 -27.5626 -150.503 179.673 -6.47085 -163.744 -111.431 53.7274 PRESSAVG: 746800 70.4261 -11.8321 3.1625 -11.8321 -7.01433 -28.8956 3.1625 -28.8957 -64.3099 GPRESSAVG: 746800 70.2429 -13.0541 5.39854 -11.0733 -7.21957 -28.5531 2.47687 -31.9066 -64.3019 TIMING: 746800 CPU: 2212.99, 0.00296373/step Wall: 2212.99, 0.00296373/step, 3.50149 hours remaining, 205.937500 MB of memory in use. ENERGY: 746800 745.3037 2106.0034 1970.5153 125.0550 -206384.5818 18103.2343 0.0000 0.0000 34283.2806 -149051.1895 299.4044 -183334.4701 -148956.7232 300.0261 82.9241 117.7751 557054.5501 -0.2994 -0.4262 PRESSURE: 747000 -20.9625 -119.962 69.8375 -119.961 -95.3452 46.6785 69.8384 46.678 -140.649 GPRESSURE: 747000 1.85166 -165.443 84.5862 -73.8589 -83.0438 33.3511 47.5942 -11.059 -88.2486 PRESSAVG: 747000 53.388 -54.9107 12.753 -54.9107 -44.2324 -32.8937 12.7529 -32.8937 -1.04777 GPRESSAVG: 747000 55.1114 -56.7322 11.0831 -51.9838 -45.4635 -34.3962 13.3426 -31.2296 -1.10342 TIMING: 747000 CPU: 2213.59, 0.00297986/step Wall: 2213.59, 0.00297986/step, 3.52038 hours remaining, 205.937500 MB of memory in use. ENERGY: 747000 735.8237 2118.1952 1958.0332 117.5245 -206029.9262 17694.3838 0.0000 0.0000 34393.1278 -149012.8380 300.3637 -183405.9659 -148916.3582 300.1159 -85.6522 -56.4802 558723.8585 2.7026 2.8482 PRESSURE: 747200 144.334 -82.8846 -157.999 -82.8843 -138.867 112.588 -157.999 112.589 -130.503 GPRESSURE: 747200 130.901 -86.9916 -111.737 -71.9439 -56.8635 142.616 -17.8046 -12.7041 -85.4953 PRESSAVG: 747200 9.58976 -2.82391 -28.7558 -2.82392 -53.7831 59.4608 -28.7559 59.4609 52.7583 GPRESSAVG: 747200 6.17005 -0.727524 -28.9745 -5.36185 -52.254 58.9879 -28.577 61.4566 54.4947 TIMING: 747200 CPU: 2214.18, 0.00296527/step Wall: 2214.18, 0.00296527/step, 3.50297 hours remaining, 205.937500 MB of memory in use. ENERGY: 747200 717.0404 2084.0449 1980.4329 100.8499 -205854.0145 17662.2489 0.0000 0.0000 34192.6842 -149116.7133 298.6132 -183309.3975 -149026.3464 300.4692 -41.6789 -3.8192 557278.5267 2.8550 2.8036 PRESSURE: 747400 45.3768 -193.322 -63.7713 -193.322 -78.8383 -165.056 -63.7723 -165.056 47.4789 GPRESSURE: 747400 127.873 -198.285 -87.7125 -194.225 -41.8257 -81.2322 -30.8154 -154.294 20.2382 PRESSAVG: 747400 2.73663 -67.5198 31.3994 -67.5198 -29.3673 7.44551 31.3993 7.44564 27.9244 GPRESSAVG: 747400 4.42545 -66.4061 31.5516 -69.5824 -30.324 7.25406 30.6005 5.90543 26.9074 TIMING: 747400 CPU: 2214.78, 0.00297881/step Wall: 2214.78, 0.00297881/step, 3.5188 hours remaining, 205.937500 MB of memory in use. ENERGY: 747400 767.3031 2098.1765 1970.0071 113.4036 -206334.3728 17713.7990 0.0000 0.0000 34439.1645 -149232.5191 300.7658 -183671.6836 -149131.5163 299.2335 4.6725 35.4285 555555.4465 0.4313 0.3363 PRESSURE: 747600 46.3678 -76.9859 26.1002 -76.9853 22.0197 -30.1425 26.1007 -30.1438 1.99543 GPRESSURE: 747600 83.9994 -69.9913 -54.2992 -58.303 27.539 44.8726 85.6088 -45.4068 52.475 PRESSAVG: 747600 18.6016 -33.0163 -7.31837 -33.0163 -58.8277 50.9453 -7.31837 50.9452 50.9852 GPRESSAVG: 747600 18.2229 -35.2609 -6.30058 -29.775 -57.4705 52.945 -7.27605 49.7498 50.1764 TIMING: 747600 CPU: 2215.37, 0.00296225/step Wall: 2215.37, 0.00296225/step, 3.49908 hours remaining, 205.937500 MB of memory in use. ENERGY: 747600 721.8058 2074.5410 1947.9242 107.8383 -206134.7791 17764.8293 0.0000 0.0000 34190.3985 -149327.4419 298.5933 -183517.8404 -149233.1023 299.2264 23.4610 54.6711 555747.9178 3.5864 3.6430 PRESSURE: 747800 -266.065 31.5721 24.4472 31.573 -216.569 -107.268 24.4487 -107.268 -112.466 GPRESSURE: 747800 -193.382 41.9552 -30.9649 1.60025 -131.989 -149.77 -30.3719 -117.901 -174.119 PRESSAVG: 747800 -15.4889 26.8549 -38.6222 26.8549 25.4593 3.3237 -38.6221 3.32364 -25.1198 GPRESSAVG: 747800 -13.5156 28.8347 -37.4334 24.8918 24.3199 1.37451 -39.6511 4.61628 -25.9067 TIMING: 747800 CPU: 2215.96, 0.00296763/step Wall: 2215.96, 0.00296763/step, 3.50527 hours remaining, 205.937500 MB of memory in use. ENERGY: 747800 763.0837 2073.9717 1938.8670 110.4555 -206010.0887 17521.2992 0.0000 0.0000 34313.3847 -149289.0268 299.6673 -183602.4115 -149190.5659 298.5833 -198.3670 -166.4966 557484.7654 -5.0498 -5.0341 PRESSURE: 748000 235.547 116.366 -1.74817 116.366 -6.83795 45.6094 -1.74799 45.6084 110.578 GPRESSURE: 748000 249.526 53.792 -88.3842 135.336 23.6922 68.1746 40.4264 64.4688 170.043 PRESSAVG: 748000 2.26808 -22.4335 -44.0646 -22.4336 28.6012 -6.8038 -44.0646 -6.80379 -38.595 GPRESSAVG: 748000 1.31526 -19.8092 -47.3994 -23.3454 28.0867 -6.6764 -40.9127 -6.03246 -37.3318 TIMING: 748000 CPU: 2216.56, 0.00298006/step Wall: 2216.56, 0.00298006/step, 3.51979 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: 748000 742.3507 2108.2879 1915.1731 103.4329 -206199.8075 17875.4609 0.0000 0.0000 34246.2587 -149208.8432 299.0811 -183455.1019 -149114.6999 299.1073 113.0958 147.7538 557056.3287 -2.5753 -2.6433 PRESSURE: 748200 7.8595 -0.749214 -190.037 -0.749138 -14.6199 -16.5668 -190.037 -16.5664 -46.8744 GPRESSURE: 748200 7.35504 73.2709 -102.562 29.4874 -14.3363 -35.7385 -177.223 -98.5821 35.1495 PRESSAVG: 748200 5.13449 -6.00815 54.8279 -6.0082 55.3612 1.62855 54.8279 1.62843 -39.6927 GPRESSAVG: 748200 5.10193 -6.74604 56.0845 -5.76645 55.8162 -0.184258 52.0461 0.758496 -39.845 TIMING: 748200 CPU: 2217.15, 0.00296445/step Wall: 2217.15, 0.00296445/step, 3.50118 hours remaining, 205.937500 MB of memory in use. ENERGY: 748200 770.3536 2092.1720 1955.6884 130.4746 -206406.9331 17924.2022 0.0000 0.0000 34093.6269 -149440.4155 297.7481 -183534.0424 -149343.2215 298.8665 -17.8783 9.3894 556403.0283 6.9343 7.0244 LDB: ============= START OF LOAD BALANCING ============== 2220.58 LDB: ============== END OF LOAD BALANCING =============== 2220.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2220.58 LDB: ============= START OF LOAD BALANCING ============== 2220.88 LDB: Largest compute 4820 load 0.030039 is 25.5% of average load 0.117913 LDB: Average compute 0.001715 is 1.5% of average load 0.117913 LDB: TIME 2220.88 LOAD: AVG 0.117913 MAX 0.197864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.758 MB LDB: TIME 2220.88 LOAD: AVG 0.117913 MAX 0.197864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.961 MB LDB: TIME 2220.88 LOAD: AVG 0.117913 MAX 0.197864 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2220.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2220.89 PRESSURE: 748400 -135.985 54.4085 -38.3364 54.4101 -112.632 -54.8458 -38.3357 -54.8457 51.6084 GPRESSURE: 748400 -96.4666 37.6239 -6.77721 172.154 -93.4356 4.31313 -45.5005 -107.937 78.7031 PRESSAVG: 748400 42.3783 13.7526 -17.7532 13.7526 3.19079 14.6705 -17.7532 14.6707 -49.8717 GPRESSAVG: 748400 42.1824 13.4436 -17.9383 13.967 3.04689 17.2913 -17.5005 15.547 -49.9143 TIMING: 748400 CPU: 2217.76, 0.00304227/step Wall: 2217.76, 0.00304227/step, 3.59293 hours remaining, 205.992188 MB of memory in use. ENERGY: 748400 745.3605 2109.7444 1961.4208 123.2238 -206618.3087 18017.2200 0.0000 0.0000 34127.0729 -149534.2664 298.0402 -183661.3392 -149441.3035 297.1319 -65.6694 -37.0663 558282.4019 -1.4342 -1.5617 PRESSURE: 748600 -29.8702 -205.455 -11.1323 -205.456 -26.947 206.515 -11.1322 206.513 -128.588 GPRESSURE: 748600 9.90979 -189.14 52.9116 -243.299 -24.7783 175.575 -139.966 200.206 -68.4666 PRESSAVG: 748600 6.13757 -12.1134 -58.7858 -12.1134 48.8348 -3.26914 -58.7857 -3.26913 -5.91849 GPRESSAVG: 748600 6.33434 -12.4248 -59.8543 -13.1847 49.0591 -3.69053 -57.1999 -2.36915 -6.17053 TIMING: 748600 CPU: 2218.36, 0.00298747/step Wall: 2218.36, 0.00298747/step, 3.52803 hours remaining, 206.191406 MB of memory in use. ENERGY: 748600 759.2084 2089.8517 1961.5886 102.6257 -206484.8192 17806.0908 0.0000 0.0000 34358.4478 -149407.0063 300.0609 -183765.4541 -149303.1867 298.5934 -61.8018 -27.7783 557802.2850 16.3513 16.4076 PRESSURE: 748800 -357.139 -31.0739 -6.10854 -31.0727 -145.083 -29.2124 -6.10717 -29.2118 -115.812 GPRESSURE: 748800 -290.585 18.3346 9.81128 44.5574 -124.841 -4.80072 -54.3987 -24.4942 -107.093 PRESSAVG: 748800 -17.5274 -65.4384 -3.21502 -65.4384 41.9035 -78.1614 -3.21513 -78.1614 -21.2186 GPRESSAVG: 748800 -18.552 -66.6685 -0.459394 -63.3732 43.1392 -76.6762 -4.91082 -79.6299 -21.2706 TIMING: 748800 CPU: 2218.95, 0.00297627/step Wall: 2218.95, 0.00297626/step, 3.51464 hours remaining, 206.191406 MB of memory in use. ENERGY: 748800 746.9101 2143.3739 1908.2720 102.1423 -205847.6730 17352.0329 0.0000 0.0000 34188.9029 -149406.0390 298.5802 -183594.9419 -149310.9231 298.5367 -206.0114 -174.1730 557266.1490 1.0525 1.1055 PRESSURE: 749000 -190.231 73.2706 -96.9208 73.2721 -180.56 76.8242 -96.921 76.8246 -233.439 GPRESSURE: 749000 -177.627 61.0066 -105.712 71.9588 -125.116 30.2823 -101.691 76.5156 -196.679 PRESSAVG: 749000 -31.6834 -23.9714 6.87728 -23.9714 54.2871 -5.50369 6.87721 -5.50371 12.7795 GPRESSAVG: 749000 -32.0264 -24.1612 4.91593 -25.4296 54.0261 -7.11268 6.29936 -4.85441 13.3826 TIMING: 749000 CPU: 2219.55, 0.00298307/step Wall: 2219.55, 0.00298307/step, 3.52251 hours remaining, 206.191406 MB of memory in use. ENERGY: 749000 759.3271 2122.2587 1972.3254 104.7023 -206210.9372 17589.9337 0.0000 0.0000 34227.8901 -149434.5000 298.9207 -183662.3901 -149340.8892 298.7240 -201.4101 -166.4741 557033.2393 11.7944 11.7941 PRESSURE: 749200 28.6198 -98.1863 78.0741 -98.1874 14.6269 -158.889 78.0747 -158.888 154.726 GPRESSURE: 749200 78.5228 37.7655 38.1128 -142.293 27.9112 -142.494 24.6278 -192.989 187.886 PRESSAVG: 749200 31.2311 -2.36934 -18.2565 -2.36935 38.7059 10.1891 -18.2565 10.189 -63.924 GPRESSAVG: 749200 32.4828 -2.15372 -17.4473 -2.9517 37.4752 12.553 -17.1958 9.30671 -64.3721 TIMING: 749200 CPU: 2220.14, 0.0029692/step Wall: 2220.14, 0.0029692/step, 3.50597 hours remaining, 206.191406 MB of memory in use. ENERGY: 749200 726.7249 2180.5411 1930.3066 107.9219 -206542.6485 17896.6701 0.0000 0.0000 34380.5663 -149319.9175 300.2540 -183700.4838 -149231.3554 298.5563 65.9910 98.1067 555154.4024 2.0043 1.8620 PRESSURE: 749400 94.8937 36.1647 224.922 36.1655 -76.1027 65.3248 224.922 65.324 64.248 GPRESSURE: 749400 114.01 115.98 244.846 30.4031 -47.0731 48.3981 253.638 40.2523 118.397 PRESSAVG: 749400 42.8643 -29.0854 21.1183 -29.0854 -8.25201 23.1818 21.1184 23.1819 -29.298 GPRESSAVG: 749400 41.5092 -29.1302 20.9152 -28.059 -7.0463 20.2057 21.9414 24.7933 -29.749 TIMING: 749400 CPU: 2220.74, 0.00297641/step Wall: 2220.74, 0.00297641/step, 3.51432 hours remaining, 206.191406 MB of memory in use. ENERGY: 749400 756.4981 2073.4942 1953.2758 112.7990 -206467.6261 17925.1830 0.0000 0.0000 34280.4091 -149365.9669 299.3793 -183646.3760 -149270.9519 298.6979 27.6797 61.7782 556609.0442 1.7714 1.5713 PRESSURE: 749600 -144.369 46.0303 22.5607 46.0317 21.1195 -128.004 22.5606 -128.004 -54.4568 GPRESSURE: 749600 -91.1383 52.9367 12.5125 6.20919 13.2337 -13.1143 52.152 -175.156 18.3338 PRESSAVG: 749600 -6.75805 3.93721 -14.255 3.93726 4.53313 -62.8187 -14.2551 -62.8186 -10.5272 GPRESSAVG: 749600 -6.5841 4.46396 -13.6463 5.43572 4.65462 -60.5091 -14.0196 -66.6568 -11.2782 TIMING: 749600 CPU: 2221.34, 0.00297844/step Wall: 2221.34, 0.00297844/step, 3.51654 hours remaining, 206.191406 MB of memory in use. ENERGY: 749600 727.6458 2144.0523 1971.9102 109.9898 -206247.1631 17786.9691 0.0000 0.0000 34248.2726 -149258.3232 299.0987 -183506.5958 -149161.1654 299.0274 -59.2353 -19.8569 558448.9038 -4.2507 -4.4026 PRESSURE: 749800 -203.449 -122.733 -111.219 -122.731 -361.296 114.277 -111.218 114.278 -140.603 GPRESSURE: 749800 -182.536 -129.35 38.6962 -149.087 -300.542 172.022 -57.0391 123.412 -123.721 PRESSAVG: 749800 -20.3901 -37.2958 18.7817 -37.2959 -5.43821 -18.8376 18.7817 -18.8377 20.2128 GPRESSAVG: 749800 -21.158 -40.241 19.1502 -36.7013 -3.94322 -18.6895 16.6031 -17.0847 20.0731 TIMING: 749800 CPU: 2221.93, 0.0029566/step Wall: 2221.93, 0.0029566/step, 3.49059 hours remaining, 206.191406 MB of memory in use. ENERGY: 749800 776.9201 2095.7731 1960.3303 108.6929 -206194.7750 17535.8103 0.0000 0.0000 34343.6632 -149373.5851 299.9318 -183717.2483 -149270.2856 299.2414 -235.1162 -202.2665 556861.0706 -1.8718 -1.6760 PRESSURE: 750000 -257.001 -49.9355 -182.414 -49.9354 126.142 -26.9652 -182.415 -26.9662 -158.082 GPRESSURE: 750000 -170.128 57.4277 -180.47 -21.8902 154.448 11.7816 -142.537 -43.6676 -178.955 PRESSAVG: 750000 -59.3189 -29.1291 -81.5239 -29.1291 42.9145 -4.56013 -81.524 -4.56005 -15.5444 GPRESSAVG: 750000 -58.9166 -26.6079 -83.2067 -28.8186 42.9471 -7.13867 -77.3328 -3.23018 -15.3904 TIMING: 750000 CPU: 2222.52, 0.00294896/step Wall: 2222.52, 0.00294896/step, 3.48141 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: 750000 711.3995 2136.7903 1952.3884 118.4301 -206156.6572 17687.0488 0.0000 0.0000 34340.8923 -149209.7079 299.9076 -183550.6001 -149109.2554 299.2461 -96.3139 -64.8784 556465.4339 -10.6496 -10.4533 PRESSURE: 750200 211.963 16.2209 88.5008 16.2216 86.799 164.264 88.5018 164.263 -160.366 GPRESSURE: 750200 205.45 5.27859 134.531 23.0473 181.956 64.66 42.1612 157.169 -143.098 PRESSAVG: 750200 -32.1525 14.86 -63.585 14.86 26.6231 -32.7081 -63.5851 -32.7082 -35.1897 GPRESSAVG: 750200 -32.6018 13.7735 -62.3473 14.9988 26.3463 -31.566 -64.3314 -31.8186 -34.2167 TIMING: 750200 CPU: 2223.11, 0.00296733/step Wall: 2223.11, 0.00296733/step, 3.50294 hours remaining, 206.191406 MB of memory in use. ENERGY: 750200 766.7853 2081.3268 1952.4371 102.8454 -205975.4563 17666.1003 0.0000 0.0000 34294.6192 -149111.3421 299.5034 -183405.9613 -149015.7199 299.3583 46.1319 81.4358 557642.7206 -13.5730 -13.4908 PRESSURE: 750400 -71.1322 107.315 76.3744 107.315 75.0898 -111.033 76.3752 -111.033 -18.5408 GPRESSURE: 750400 -9.01807 149.844 82.7737 85.278 151.1 -59.9289 29.0914 -176.898 -50.6929 PRESSAVG: 750400 60.0016 -11.2752 -0.24119 -11.2753 8.54753 7.15565 -0.241162 7.15574 -61.3799 GPRESSAVG: 750400 61.2903 -10.231 -4.30096 -13.2774 8.03748 7.08648 0.0557712 4.87458 -61.9365 TIMING: 750400 CPU: 2223.7, 0.00296894/step Wall: 2223.7, 0.00296894/step, 3.50466 hours remaining, 206.191406 MB of memory in use. ENERGY: 750400 734.2570 2075.1148 1959.9444 119.0868 -205837.2095 17663.4135 0.0000 0.0000 34326.6512 -148958.7418 299.7832 -183285.3930 -148862.1445 299.9024 -4.8610 30.4630 556548.8965 2.3897 2.4638 PRESSURE: 750600 72.5183 -202.619 -58.4934 -202.617 -12.4794 101.361 -58.4938 101.36 -129.062 GPRESSURE: 750600 105.38 -309.366 -45.1761 -183.941 -13.3792 0.876302 -97.4811 188.156 -68.1761 PRESSAVG: 750600 5.69048 16.7517 -9.57941 16.7517 -1.49944 -6.44855 -9.57944 -6.44879 -22.6942 GPRESSAVG: 750600 6.19259 15.4144 -7.48816 17.7401 -2.49407 -5.76002 -9.60999 -6.36011 -21.6652 TIMING: 750600 CPU: 2224.29, 0.0029533/step Wall: 2224.29, 0.0029533/step, 3.48604 hours remaining, 206.191406 MB of memory in use. ENERGY: 750600 722.7041 2125.4797 1967.6132 111.2138 -206353.4904 17830.5149 0.0000 0.0000 34602.6659 -148993.2988 302.1937 -183595.9647 -148889.4539 300.2530 -23.0078 7.9417 558737.7261 -6.1677 -5.9889 PRESSURE: 750800 -50.2442 116.808 168.598 116.809 253.681 123.006 168.598 123.007 111.995 GPRESSURE: 750800 -36.3463 125.345 239.724 111.163 291.799 114.725 208.938 67.6639 159.024 PRESSAVG: 750800 -32.5764 56.7478 -23.2033 56.7478 -29.1317 -16.3584 -23.2034 -16.3584 15.8946 GPRESSAVG: 750800 -33.6372 58.1037 -24.9863 56.7587 -28.9119 -16.9943 -22.8569 -16.4187 16.8622 TIMING: 750800 CPU: 2224.89, 0.0029665/step Wall: 2224.89, 0.0029665/step, 3.50145 hours remaining, 206.191406 MB of memory in use. ENERGY: 750800 787.4392 2087.9270 1961.8843 110.1798 -206044.9218 18032.7272 0.0000 0.0000 34082.8937 -148981.8705 297.6544 -183064.7642 -148899.0594 299.3138 105.1440 138.1590 558465.9440 -15.2712 -15.2290 PRESSURE: 751000 90.1216 -48.6473 -17.8814 -48.6467 203.577 42.5437 -17.8808 42.5428 -8.65417 GPRESSURE: 751000 102.357 -4.20923 -6.50404 -78.8681 280.739 34.003 -2.36129 4.7831 1.78127 PRESSAVG: 751000 2.49984 -45.7935 -51.8745 -45.7936 17.0862 -1.30318 -51.8745 -1.30329 -10.6564 GPRESSAVG: 751000 1.73522 -45.2697 -50.4351 -46.5502 18.1532 -1.26582 -52.91 -1.19078 -11.126 TIMING: 751000 CPU: 2225.48, 0.00296574/step Wall: 2225.48, 0.00296574/step, 3.5004 hours remaining, 206.191406 MB of memory in use. ENERGY: 751000 751.2915 2062.1101 1962.2533 121.8845 -206151.8616 18033.0317 0.0000 0.0000 34111.4980 -149109.7924 297.9042 -183221.2904 -149002.6619 298.9958 95.0149 128.2924 559917.6273 2.9766 2.9208 PRESSURE: 751200 109.843 53.4209 -19.6594 53.4211 -75.3211 34.745 -19.6591 34.7459 6.44199 GPRESSURE: 751200 92.6837 -8.74998 -52.0547 112.069 -31.307 57.5036 -85.7174 58.6961 70.5299 PRESSAVG: 751200 -0.3065 26.7909 -26.6923 26.7908 10.2527 43.7545 -26.6922 43.7545 19.0776 GPRESSAVG: 751200 -0.043418 23.6544 -24.2474 30.1384 9.62791 42.9721 -27.9912 44.9397 18.858 TIMING: 751200 CPU: 2226.07, 0.00294044/step Wall: 2226.07, 0.00294044/step, 3.47037 hours remaining, 206.191406 MB of memory in use. ENERGY: 751200 726.6480 2117.7278 1944.3325 118.8660 -206362.6096 17927.0660 0.0000 0.0000 34442.4419 -149085.5273 300.7944 -183527.9691 -148980.2038 299.8349 13.6548 43.9689 559397.4741 9.6746 9.4808 PRESSURE: 751400 3.04746 23.4966 -99.2359 23.4967 2.71393 -37.5265 -99.2365 -37.5249 -143.918 GPRESSURE: 751400 50.614 23.2584 -67.9946 -40.0152 13.8182 -53.8283 -114.067 -45.4489 -107.866 PRESSAVG: 751400 96.4472 9.38552 12.7931 9.38555 -95.7102 22.0715 12.7932 22.0716 -17.9693 GPRESSAVG: 751400 95.5371 11.2404 12.0459 6.69561 -95.2592 21.9156 13.3051 22.317 -17.8098 TIMING: 751400 CPU: 2226.66, 0.00295014/step Wall: 2226.66, 0.00295014/step, 3.48165 hours remaining, 206.191406 MB of memory in use. ENERGY: 751400 716.7274 2132.8430 1976.7343 126.9011 -206273.4145 17777.4992 0.0000 0.0000 34332.8311 -149209.8784 299.8372 -183542.7095 -149112.7193 299.0296 -46.0521 -14.4778 558570.6045 -5.7441 -5.8440 PRESSURE: 751600 -585.444 91.5519 -92.3134 91.55 -124.935 -73.1142 -92.3129 -73.1139 -151.33 GPRESSURE: 751600 -553.208 21.8751 -73.9399 162.522 -78.0298 -86.7887 -73.3471 -44.1525 -141.677 PRESSAVG: 751600 -48.3788 22.6961 -14.7017 22.696 12.2953 -20.304 -14.7017 -20.3039 -10.0434 GPRESSAVG: 751600 -46.9475 23.1175 -14.3327 23.1022 11.2879 -18.6524 -15.0014 -22.8909 -10.1799 TIMING: 751600 CPU: 2227.25, 0.0029508/step Wall: 2227.25, 0.0029508/step, 3.48227 hours remaining, 206.191406 MB of memory in use. ENERGY: 751600 807.3425 2098.6143 1965.5737 119.1486 -206120.5216 17533.7395 0.0000 0.0000 34343.8103 -149252.2926 299.9330 -183596.1029 -149158.6105 300.0017 -287.2365 -257.6382 557282.9636 -15.3756 -15.2798 PRESSURE: 751800 -262.244 112.795 102.555 112.795 -43.0688 227.722 102.556 227.722 -361.72 GPRESSURE: 751800 -233.079 145.004 171.206 118.496 72.236 133.04 56.0584 283.101 -407.139 PRESSAVG: 751800 -49.0025 51.4828 28.8489 51.4828 28.9731 46.8791 28.8489 46.8792 63.7594 GPRESSAVG: 751800 -48.1556 52.6037 29.7216 49.8476 29.2874 46.4419 28.2041 48.3141 62.0898 TIMING: 751800 CPU: 2227.84, 0.00293003/step Wall: 2227.84, 0.00293003/step, 3.4576 hours remaining, 206.191406 MB of memory in use. ENERGY: 751800 736.0631 2153.2317 1961.1756 117.0265 -205942.9728 17428.6747 0.0000 0.0000 34165.1217 -149381.6795 298.3725 -183546.8012 -149280.9670 298.8783 -222.3442 -189.3271 559322.8047 14.5767 14.4072 PRESSURE: 752000 -65.1331 -29.5253 12.3896 -29.5264 25.6756 -15.6532 12.3892 -15.6536 111.427 GPRESSURE: 752000 17.0618 34.4849 -11.434 -11.3243 39.9021 -69.8558 34.5551 -18.5241 130.266 PRESSAVG: 752000 -22.1862 13.2927 20.5643 13.2927 25.2381 27.2888 20.5644 27.2888 -23.9904 GPRESSAVG: 752000 -23.016 12.8077 19.8415 13.8419 25.5947 27.3511 20.9526 27.1877 -23.1073 TIMING: 752000 CPU: 2228.42, 0.00293806/step Wall: 2228.42, 0.00293806/step, 3.46691 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: 752000 767.8002 2100.9989 1941.3096 123.2941 -206374.2740 17885.1414 0.0000 0.0000 34238.6722 -149317.0575 299.0148 -183555.7297 -149224.2382 298.7316 23.9898 62.4099 557379.4114 -6.9795 -6.8429 PRESSURE: 752200 -199.965 101.497 -60.4117 101.498 122.062 204.789 -60.4115 204.788 -1.80772 GPRESSURE: 752200 -167.467 46.0152 -119.868 133.078 167.394 189.7 -38.3091 265.031 23.5886 PRESSAVG: 752200 -43.2339 -8.43953 3.61937 -8.43954 12.2711 44.9814 3.61934 44.9814 20.2208 GPRESSAVG: 752200 -45.0994 -10.8069 5.00755 -7.65518 12.6331 45.9123 5.05107 44.0251 20.8683 TIMING: 752200 CPU: 2229.02, 0.00296877/step Wall: 2229.02, 0.00296877/step, 3.50298 hours remaining, 206.191406 MB of memory in use. ENERGY: 752200 761.4496 2109.8587 1942.2774 112.3830 -206390.7038 17850.3453 0.0000 0.0000 34285.6357 -149328.7541 299.4250 -183614.3898 -149233.2597 298.6196 -26.5700 7.8385 556685.8004 -3.5807 -3.8660 LDB: ============= START OF LOAD BALANCING ============== 2232.44 LDB: ============== END OF LOAD BALANCING =============== 2232.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2232.44 LDB: ============= START OF LOAD BALANCING ============== 2232.74 LDB: Largest compute 4820 load 0.031071 is 26.4% of average load 0.117864 LDB: Average compute 0.001721 is 1.5% of average load 0.117864 LDB: TIME 2232.74 LOAD: AVG 0.117864 MAX 0.19728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.246 MB LDB: TIME 2232.74 LOAD: AVG 0.117864 MAX 0.19728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: TIME 2232.74 LOAD: AVG 0.117864 MAX 0.19728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: ============== END OF LOAD BALANCING =============== 2232.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2232.75 PRESSURE: 752400 119.251 -18.2843 60.3654 -18.2838 325.106 16.5929 60.3641 16.5927 -157.316 GPRESSURE: 752400 181.114 -18.3656 34.9623 -30.2274 388.95 59.7755 -19.6054 -49.713 -180.495 PRESSAVG: 752400 -27.6372 -31.917 16.0481 -31.917 50.4068 20.4181 16.0481 20.4182 -28.0288 GPRESSAVG: 752400 -26.4835 -30.6749 12.6445 -29.8572 49.9844 21.2663 16.7325 19.7573 -28.4854 TIMING: 752400 CPU: 2229.62, 0.00300415/step Wall: 2229.62, 0.00300415/step, 3.54456 hours remaining, 205.484375 MB of memory in use. ENERGY: 752400 760.6064 2066.5936 1916.7275 116.7091 -206459.7692 18026.0477 0.0000 0.0000 34188.5440 -149384.5409 298.5771 -183573.0849 -149286.1850 298.9267 95.6802 129.8565 556596.1857 -1.7531 -1.6615 PRESSURE: 752600 28.2561 -46.0998 177.964 -46.1002 204.482 164.627 177.964 164.626 -27.4596 GPRESSURE: 752600 96.8563 -68.0186 112.965 -48.2513 173.563 262.739 165.027 85.5443 34.1421 PRESSAVG: 752600 -17.78 -6.03542 72.3943 -6.0354 -3.58626 13.3598 72.3942 13.3598 34.8705 GPRESSAVG: 752600 -17.8237 -6.5158 72.8245 -6.88372 -3.62638 8.77701 71.9925 16.069 34.5042 TIMING: 752600 CPU: 2230.21, 0.00294595/step Wall: 2230.21, 0.00294595/step, 3.47573 hours remaining, 205.484375 MB of memory in use. ENERGY: 752600 718.9561 2150.0274 1958.4176 122.1768 -206473.0238 17892.1768 0.0000 0.0000 34179.7108 -149451.5583 298.4999 -183631.2691 -149343.8771 298.7941 68.4260 101.5205 557064.2980 4.5014 4.3514 PRESSURE: 752800 -68.3684 111.64 58.0069 111.64 250.324 7.75426 58.0065 7.7559 -273.432 GPRESSURE: 752800 -43.8307 144.113 55.5534 96.211 280.677 5.03838 106.049 47.6979 -236.317 PRESSAVG: 752800 -42.9725 -22.2295 4.28787 -22.2294 93.5821 62.5663 4.2878 62.5663 -38.724 GPRESSAVG: 752800 -42.8824 -23.4258 3.22291 -21.2059 92.6344 63.9934 4.13186 63.4879 -37.5677 TIMING: 752800 CPU: 2230.79, 0.00293771/step Wall: 2230.79, 0.00293771/step, 3.46585 hours remaining, 205.484375 MB of memory in use. ENERGY: 752800 778.4401 2096.8949 1937.9359 119.6624 -206410.0415 17930.0849 0.0000 0.0000 33964.3728 -149582.6505 296.6193 -183547.0233 -149492.9818 298.1598 -30.4921 0.1763 557477.4415 3.9619 4.0614 PRESSURE: 753000 -64.9896 -45.9779 -54.03 -45.9784 48.5902 51.7714 -54.0301 51.7709 247.489 GPRESSURE: 753000 38.4111 -32.2507 -66.237 -53.1335 69.8173 67.4841 -49.8163 72.8877 224.921 PRESSAVG: 753000 -14.0517 -18.7134 53.1735 -18.7134 19.7265 19.3111 53.1736 19.3111 -22.7495 GPRESSAVG: 753000 -14.7389 -16.341 54.6762 -18.821 20.2296 18.4203 53.1183 17.5924 -22.6054 TIMING: 753000 CPU: 2231.38, 0.00294025/step Wall: 2231.38, 0.00294025/step, 3.46868 hours remaining, 205.484375 MB of memory in use. ENERGY: 753000 737.0158 2080.7115 1956.9171 101.8772 -206649.4411 18029.3922 0.0000 0.0000 34219.4053 -149524.1220 298.8466 -183743.5272 -149429.0644 298.1285 77.0297 111.0496 558048.7953 -5.6916 -5.7049 PRESSURE: 753200 -83.0155 -22.3733 -24.718 -22.3735 -171.015 29.0889 -24.7186 29.0873 -158.446 GPRESSURE: 753200 -59.05 22.6893 -57.9998 -1.16978 -167.864 -24.6822 -68.281 41.7488 -101.305 PRESSAVG: 753200 17.6834 -7.15679 -3.69397 -7.15671 -44.8679 10.8375 -3.69386 10.8375 47.2067 GPRESSAVG: 753200 19.0491 -7.45955 -4.06263 -8.0316 -45.1675 11.4986 -4.19357 11.7653 46.0996 TIMING: 753200 CPU: 2231.97, 0.00294246/step Wall: 2231.97, 0.00294246/step, 3.47112 hours remaining, 205.484375 MB of memory in use. ENERGY: 753200 762.7248 2142.8233 1946.9611 118.8985 -206599.2060 17777.3159 0.0000 0.0000 34191.7985 -149658.6839 298.6055 -183850.4824 -149563.8078 298.5491 -137.4922 -109.4064 557486.6190 6.6741 6.6604 PRESSURE: 753400 25.8857 -40.7826 -132.4 -40.7827 -146.284 -58.1278 -132.4 -58.1268 -94.4527 GPRESSURE: 753400 89.0824 -71.0526 -95.2851 -46.4041 -134.644 -19.4578 -183.618 -30.7806 -74.1877 PRESSAVG: 753400 -22.0824 -29.9623 30.7836 -29.9623 46.5215 -28.4342 30.7836 -28.4342 2.58343 GPRESSAVG: 753400 -22.8073 -31.4008 33.2236 -31.6015 47.0707 -27.7791 28.618 -29.6245 2.92147 TIMING: 753400 CPU: 2232.56, 0.00294207/step Wall: 2232.56, 0.00294207/step, 3.47049 hours remaining, 205.484375 MB of memory in use. ENERGY: 753400 783.4150 2095.6536 1944.9374 115.3591 -206545.4155 17716.0442 0.0000 0.0000 34228.5681 -149661.4381 298.9266 -183890.0062 -149559.4144 298.5171 -71.6169 -39.9163 556148.2974 9.0075 9.0616 PRESSURE: 753600 -221.774 -139.891 -76.7322 -139.889 -238.201 -74.4884 -76.7326 -74.4873 -189.931 GPRESSURE: 753600 -208.109 -229.568 -41.8568 -85.4054 -217.25 -37.9765 -75.7605 -73.0271 -128.471 PRESSAVG: 753600 -100.194 10.5236 -36.3789 10.5235 16.5408 -13.933 -36.3789 -13.9331 67.6329 GPRESSAVG: 753600 -100.393 10.1482 -40.7458 11.2046 16.8691 -13.1659 -33.1032 -14.0433 67.2322 TIMING: 753600 CPU: 2233.15, 0.00296473/step Wall: 2233.15, 0.00296473/step, 3.49706 hours remaining, 205.484375 MB of memory in use. ENERGY: 753600 756.2562 2066.3611 1926.0634 115.7499 -206337.4017 17687.7904 0.0000 0.0000 34187.9512 -149597.2293 298.5719 -183785.1806 -149487.2047 298.2892 -216.6352 -184.6098 556417.0309 -5.3401 -5.4306 PRESSURE: 753800 -67.7165 10.3877 67.8825 10.3879 161.009 -221.012 67.8825 -221.013 -5.12534 GPRESSURE: 753800 -4.98399 65.5888 83.9357 42.6525 180.118 -197.591 14.8393 -233.107 13.0215 PRESSAVG: 753800 -123.371 36.5354 -16.6947 36.5354 127.494 -8.32252 -16.6947 -8.32252 3.17144 GPRESSAVG: 753800 -123.361 37.3537 -14.3934 37.7053 126.763 -7.01084 -17.6682 -8.28576 3.81782 TIMING: 753800 CPU: 2233.74, 0.00295628/step Wall: 2233.74, 0.00295628/step, 3.48693 hours remaining, 205.484375 MB of memory in use. ENERGY: 753800 758.2045 2102.4600 1950.4412 111.2120 -206222.8324 17745.4333 0.0000 0.0000 34162.3673 -149392.7141 298.3485 -183555.0814 -149297.0406 298.9908 29.3892 62.7184 555559.3197 2.4315 2.4069 PRESSURE: 754000 -179.649 59.8218 157.596 59.8204 -311.595 -4.83587 157.596 -4.8351 -304.412 GPRESSURE: 754000 -140.22 -3.39211 118.103 28.9551 -290.378 -41.9067 106.601 36.7379 -279.886 PRESSAVG: 754000 3.36227 49.9371 31.5885 49.9371 44.1238 -25.7923 31.5886 -25.7923 -37.4815 GPRESSAVG: 754000 2.33338 52.2891 30.8292 48.2443 45.3485 -26.5018 32.3263 -26.7082 -37.3754 TIMING: 754000 CPU: 2234.34, 0.00297135/step Wall: 2234.34, 0.00297135/step, 3.50455 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: 754000 754.4973 2135.8250 1923.8958 108.0311 -205611.7040 17333.8422 0.0000 0.0000 34204.5324 -149151.0802 298.7167 -183355.6125 -149051.7405 299.1074 -265.2188 -236.8282 558532.0251 3.3349 3.4355 PRESSURE: 754200 119.4 33.5841 32.3587 33.5829 194.636 33.802 32.3592 33.8034 114.347 GPRESSURE: 754200 198.632 92.7088 -6.56112 18.217 240.502 53.9669 41.6973 33.5493 75.4291 PRESSAVG: 754200 27.6773 -11.9187 10.046 -11.9187 11.0911 36.3093 10.0459 36.3092 -48.3068 GPRESSAVG: 754200 29.0706 -13.7544 11.5356 -10.9207 9.18807 36.4935 9.13815 37.9838 -48.18 TIMING: 754200 CPU: 2234.94, 0.00299133/step Wall: 2234.94, 0.00299133/step, 3.52795 hours remaining, 205.484375 MB of memory in use. ENERGY: 754200 742.2942 2060.2848 1933.5036 116.1855 -206532.2546 18027.5810 0.0000 0.0000 34489.1121 -149163.2935 301.2020 -183652.4056 -149066.0798 299.4468 142.7946 171.5210 555907.3382 -3.1795 -3.3071 PRESSURE: 754400 17.0113 55.464 -37.4425 55.4661 -31.9432 204.888 -37.4421 204.886 61.8239 GPRESSURE: 754400 54.617 147.674 -71.382 -31.9225 -44.5143 163.764 23.9615 185.286 131.842 PRESSAVG: 754400 83.1453 18.9163 -14.7029 18.9163 -21.5068 22.4167 -14.7028 22.4167 -28.896 GPRESSAVG: 754400 82.287 21.3123 -16.0652 17.4536 -19.3123 20.6617 -14.448 21.4557 -29.961 TIMING: 754400 CPU: 2235.54, 0.00299408/step Wall: 2235.54, 0.00299408/step, 3.53102 hours remaining, 205.484375 MB of memory in use. ENERGY: 754400 782.0656 2065.6420 1956.6880 112.5702 -206099.1270 17772.0337 0.0000 0.0000 34357.0511 -149053.0764 300.0487 -183410.1275 -148955.3856 299.7709 15.6307 47.3151 557291.3475 10.9142 11.0046 PRESSURE: 754600 -199.742 155.224 138.545 155.224 -108.13 -0.227127 138.543 -0.226174 -1.78793 GPRESSURE: 754600 -142.778 76.9881 82.7512 158.044 -77.3594 -89.4289 171.703 -7.51686 0.611515 PRESSAVG: 754600 -7.55641 50.9531 -35.4483 50.9531 -34.4676 26.3837 -35.4483 26.3839 46.8896 GPRESSAVG: 754600 -5.69836 48.1115 -34.7481 52.5806 -35.1301 28.2992 -34.7236 24.7474 45.8219 TIMING: 754600 CPU: 2236.13, 0.00297566/step Wall: 2236.13, 0.00297566/step, 3.50913 hours remaining, 205.484375 MB of memory in use. ENERGY: 754600 756.9056 2104.5818 1936.8122 106.4005 -206381.8326 17741.3416 0.0000 0.0000 34370.8127 -149364.9781 300.1689 -183735.7908 -149263.7617 299.9982 -103.2201 -73.1752 557787.7959 1.6219 1.6645 PRESSURE: 754800 57.7565 -34.8421 -132.689 -34.8429 -176.851 45.9346 -132.688 45.9345 -117.296 GPRESSURE: 754800 141.728 -45.8945 -133.299 -46.6746 -178.055 1.55459 -166.694 36.3293 -103.745 PRESSAVG: 754800 -4.65951 2.34663 -35.9975 2.34661 7.02376 35.8009 -35.9973 35.8008 -30.3342 GPRESSAVG: 754800 -4.92214 2.36957 -35.398 2.35601 5.26428 35.6654 -37.7704 36.4616 -28.4349 TIMING: 754800 CPU: 2236.72, 0.00296766/step Wall: 2236.72, 0.00296766/step, 3.49953 hours remaining, 205.484375 MB of memory in use. ENERGY: 754800 731.7174 2095.5369 1954.3909 105.7690 -205901.4267 17574.3251 0.0000 0.0000 33912.9535 -149526.7338 296.1703 -183439.6873 -149430.6431 297.8475 -78.7966 -46.6909 558413.4647 -9.3233 -9.3643 PRESSURE: 755000 -135.239 90.7319 18.3878 90.7329 -185.317 -86.1026 18.3875 -86.103 -42.8264 GPRESSURE: 755000 -102.582 78.8749 10.1921 98.9252 -123.854 -25.7423 50.9198 -181.407 -33.4441 PRESSAVG: 755000 -8.33926 35.5243 -16.9442 35.5243 -7.88415 17.7394 -16.9441 17.7396 4.85936 GPRESSAVG: 755000 -8.25657 37.1916 -18.2844 33.8719 -7.38268 18.0999 -17.3168 16.5869 4.2802 TIMING: 755000 CPU: 2237.32, 0.00297106/step Wall: 2237.32, 0.00297106/step, 3.50338 hours remaining, 205.484375 MB of memory in use. ENERGY: 755000 738.3958 2071.1871 1937.5128 107.9929 -206293.5240 17731.4579 0.0000 0.0000 34124.9770 -149582.0004 298.0219 -183706.9774 -149483.2852 297.2331 -121.1276 -86.6267 558151.2160 -3.7880 -3.7864 PRESSURE: 755200 135.83 -126.375 -13.061 -126.376 209.856 140.262 -13.0623 140.261 -16.4145 GPRESSURE: 755200 166.847 -166.891 -51.6256 -71.0282 212.596 46.3991 25.7105 178.89 51.534 PRESSAVG: 755200 28.4608 -9.57837 -34.0945 -9.5785 -42.0383 32.3987 -34.0945 32.3988 17.1551 GPRESSAVG: 755200 27.6529 -11.9674 -33.6262 -10.0053 -41.9922 30.2534 -33.3022 33.501 17.5941 TIMING: 755200 CPU: 2237.91, 0.00297188/step Wall: 2237.91, 0.00297188/step, 3.50417 hours remaining, 205.484375 MB of memory in use. ENERGY: 755200 722.8361 2062.3579 1961.8457 112.2054 -206395.6251 18030.0402 0.0000 0.0000 33918.2026 -149588.1373 296.2161 -183506.3398 -149496.2243 297.4764 109.7572 143.6591 559768.7518 1.1925 1.0849 PRESSURE: 755400 153.069 -65.039 -58.4812 -65.0375 146.938 3.11001 -58.4815 3.11133 -227.71 GPRESSURE: 755400 183.382 -48.7084 -104.827 -98.2161 143.303 -2.53864 -99.0429 5.83609 -161.794 PRESSAVG: 755400 -20.489 27.8944 30.8431 27.8945 30.2593 5.03999 30.8431 5.0401 -26.9436 GPRESSAVG: 755400 -20.8045 27.2749 30.314 29.2475 30.963 4.34144 30.6183 4.10825 -27.0953 TIMING: 755400 CPU: 2238.51, 0.00297122/step Wall: 2238.51, 0.00297122/step, 3.50323 hours remaining, 205.484375 MB of memory in use. ENERGY: 755400 710.2809 2119.9704 1933.1984 118.5884 -206437.4970 17988.6328 0.0000 0.0000 34016.5793 -149550.2467 297.0752 -183566.8260 -149453.2622 297.8490 24.0992 54.9638 557748.8158 -5.7244 -5.6456 PRESSURE: 755600 -159.223 99.2757 51.8729 99.2749 92.5564 131.661 51.8719 131.662 94.735 GPRESSURE: 755600 -138.998 87.8925 79.5856 101.698 121.023 99.7825 72.1084 165.611 139.361 PRESSAVG: 755600 23.4628 -6.95837 -43.8571 -6.95833 10.625 48.7574 -43.8571 48.7573 -35.2996 GPRESSAVG: 755600 24.5871 -6.58082 -44.6653 -6.5887 9.60747 50.0481 -44.0471 51.2685 -34.8917 TIMING: 755600 CPU: 2239.11, 0.00300986/step Wall: 2239.11, 0.00300986/step, 3.54863 hours remaining, 205.484375 MB of memory in use. ENERGY: 755600 694.2330 2058.2620 1945.3259 110.3390 -206467.4313 17928.6198 0.0000 0.0000 34101.3227 -149629.3288 297.8153 -183730.6515 -149534.0727 297.4768 9.3561 40.4619 556685.2806 -0.4039 -0.2324 PRESSURE: 755800 -333.482 19.054 -13.858 19.0543 -203.954 245.624 -13.8583 245.625 -25.3552 GPRESSURE: 755800 -283.57 -79.1886 -1.1381 62.3267 -162.568 258.65 -36.5514 268.019 -33.9474 PRESSAVG: 755800 -46.081 -12.1226 47.5312 -12.1227 50.9452 35.9405 47.5312 35.9406 -28.2476 GPRESSAVG: 755800 -48.5218 -12.5574 48.2121 -10.9034 53.1235 35.0518 48.3189 35.1775 -28.2747 TIMING: 755800 CPU: 2239.71, 0.00301026/step Wall: 2239.71, 0.00301026/step, 3.54893 hours remaining, 205.484375 MB of memory in use. ENERGY: 755800 742.2497 2074.6461 1966.0770 116.0735 -206247.2672 17624.5999 0.0000 0.0000 34053.8812 -149669.7397 297.4010 -183723.6209 -149570.6527 297.8623 -187.5969 -160.0285 557195.2464 -7.7945 -7.8910 PRESSURE: 756000 -308.96 84.4594 -88.2406 84.4602 -199.816 -54.7724 -88.2409 -54.7717 -296.214 GPRESSURE: 756000 -305.271 33.506 -108.74 114.412 -163.976 -26.0676 -58.1206 -48.0323 -247.911 PRESSAVG: 756000 -87.6487 -20.2537 -19.6376 -20.2537 53.2296 35.026 -19.6377 35.026 48.9356 GPRESSAVG: 756000 -86.536 -20.1204 -18.0294 -19.1472 51.7605 35.0718 -20.4402 35.963 49.3205 TIMING: 756000 CPU: 2240.31, 0.00300421/step Wall: 2240.31, 0.00300421/step, 3.54163 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: 756000 682.2213 2078.6057 1958.5084 102.1552 -206118.9610 17514.6306 0.0000 0.0000 33925.6822 -149857.1577 296.2814 -183782.8399 -149762.0596 297.4553 -268.3299 -239.0527 558071.1874 4.8388 4.8483 PRESSURE: 756200 253.524 -20.6506 50.1938 -20.6511 -83.4943 76.275 50.1944 76.2765 174.554 GPRESSURE: 756200 255.878 -24.4119 64.5446 -54.3809 -0.301029 68.4976 -44.376 127.701 180.526 PRESSAVG: 756200 -19.9882 -24.9216 21.1361 -24.9216 16.8823 -40.1247 21.1361 -40.1246 -14.322 GPRESSAVG: 756200 -19.1057 -24.5596 18.9423 -26.7182 16.7126 -39.7689 22.2266 -41.2622 -14.9793 TIMING: 756200 CPU: 2240.91, 0.00299443/step Wall: 2240.91, 0.00299443/step, 3.52993 hours remaining, 205.484375 MB of memory in use. ENERGY: 756200 727.4564 2030.7609 1932.5347 119.6982 -206928.5311 18114.2066 0.0000 0.0000 34230.0992 -149773.7752 298.9400 -184003.8744 -149679.6501 297.3019 114.8612 145.3675 557150.1076 -5.8093 -5.7908 LDB: ============= START OF LOAD BALANCING ============== 2244.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2244.34 LDB: =============== DONE WITH MIGRATION ================ 2244.34 LDB: ============= START OF LOAD BALANCING ============== 2244.64 LDB: Largest compute 4820 load 0.030982 is 26.3% of average load 0.117842 LDB: Average compute 0.001725 is 1.5% of average load 0.117842 LDB: TIME 2244.64 LOAD: AVG 0.117842 MAX 0.19941 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 2244.64 LOAD: AVG 0.117842 MAX 0.19941 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: TIME 2244.64 LOAD: AVG 0.117842 MAX 0.19941 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 2244.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2244.65 PRESSURE: 756400 -87.2187 62.8959 -184.743 62.8966 -23.8872 -95.2884 -184.741 -95.2874 17.2633 GPRESSURE: 756400 -63.5395 129.627 -68.3462 -13.0245 -7.54863 -95.7285 -261.174 -141.708 66.5526 PRESSAVG: 756400 -1.17883 26.1232 -22.5243 26.1231 11.8498 56.1923 -22.5243 56.1921 43.8702 GPRESSAVG: 756400 -1.28059 26.9207 -21.6316 28.274 12.0185 56.7837 -23.4088 56.1327 44.0434 TIMING: 756400 CPU: 2241.52, 0.00305252/step Wall: 2241.52, 0.00305252/step, 3.59824 hours remaining, 206.960938 MB of memory in use. ENERGY: 756400 704.9038 2083.0798 1945.8297 118.8558 -206587.1104 17889.5813 0.0000 0.0000 34112.8360 -149732.0239 297.9159 -183844.8599 -149642.5974 297.5359 -31.2809 -1.5118 557696.3695 18.1804 18.2604 PRESSURE: 756600 -216.768 46.1933 -82.6024 46.1938 -133.209 -92.5238 -82.6025 -92.5229 -215.984 GPRESSURE: 756600 -182.619 23.5012 -5.84515 1.266 -92.7069 -93.444 -114.044 -168.899 -197.907 PRESSAVG: 756600 4.09283 7.73543 -0.430958 7.73535 47.067 25.9461 -0.431101 25.9462 -45.3066 GPRESSAVG: 756600 4.43679 6.03021 -0.412426 5.85098 46.0552 25.7099 1.22961 24.4551 -44.4667 TIMING: 756600 CPU: 2242.11, 0.00295285/step Wall: 2242.11, 0.00295285/step, 3.4806 hours remaining, 207.160156 MB of memory in use. ENERGY: 756600 758.4990 2148.5644 1939.2911 105.9376 -206436.9214 17673.1720 0.0000 0.0000 34027.3479 -149784.1094 297.1693 -183811.4573 -149693.4711 297.8982 -188.6538 -157.7440 557541.2650 1.9511 2.0084 PRESSURE: 756800 -150.653 -29.9759 18.3359 -29.9765 85.1601 -33.0899 18.3365 -33.0899 74.2231 GPRESSURE: 756800 -168.616 -5.0872 28.536 -78.8112 127.811 -104.301 3.6657 -35.6128 133.352 PRESSAVG: 756800 36.6429 -2.74567 7.27743 -2.74573 -2.26051 18.7308 7.27739 18.7307 -7.14268 GPRESSAVG: 756800 35.7839 -0.899961 6.73076 -3.85694 -1.05135 18.3122 4.89366 19.3325 -7.37643 TIMING: 756800 CPU: 2242.71, 0.00298466/step Wall: 2242.71, 0.00298466/step, 3.51792 hours remaining, 207.160156 MB of memory in use. ENERGY: 756800 719.9877 2134.9239 1957.4776 121.3277 -206880.4172 17982.2272 0.0000 0.0000 34169.9537 -149794.5195 298.4147 -183964.4732 -149706.1106 297.9068 2.9100 30.8493 556671.2817 9.0799 9.1187 PRESSURE: 757000 -16.2483 78.4531 24.2414 78.4542 -2.18551 35.4248 24.2411 35.4247 121.465 GPRESSURE: 757000 32.7797 79.7048 15.4047 7.25807 81.6546 -5.75706 14.8803 11.3643 95.2264 PRESSAVG: 757000 -32.1477 1.42952 -1.92366 1.42953 -18.8863 34.8373 -1.92376 34.8373 64.0745 GPRESSAVG: 757000 -31.9993 0.507847 -0.454591 1.99413 -18.7718 35.3082 -2.6302 33.4373 63.6721 TIMING: 757000 CPU: 2243.3, 0.0029726/step Wall: 2243.3, 0.0029726/step, 3.50354 hours remaining, 207.160156 MB of memory in use. ENERGY: 757000 702.5055 2052.7881 1938.8626 116.1705 -206323.4698 17777.4369 0.0000 0.0000 33974.5529 -149761.1532 296.7082 -183735.7061 -149663.0581 297.7929 34.3438 69.8869 558125.4814 4.3468 4.3003 PRESSURE: 757200 -208.179 63.3223 -16.719 63.3213 -274.443 0.887719 -16.72 0.888606 -103.461 GPRESSURE: 757200 -176.266 130.472 53.2605 -2.76268 -197.049 -47.0558 84.6957 42.4297 -107.01 PRESSAVG: 757200 -62.3606 20.4507 -24.6652 20.4507 8.16001 -3.92907 -24.6651 -3.92904 28.0911 GPRESSAVG: 757200 -63.2244 21.0128 -26.5851 21.2901 8.06373 -4.66198 -23.3609 -2.29848 29.2084 TIMING: 757200 CPU: 2243.9, 0.00297853/step Wall: 2243.9, 0.00297853/step, 3.51036 hours remaining, 207.160156 MB of memory in use. ENERGY: 757200 736.8632 2071.3098 1961.0764 112.2465 -206396.6801 17559.8444 0.0000 0.0000 34307.5070 -149647.8328 299.6160 -183955.3397 -149551.8938 297.5628 -195.3612 -160.1086 556933.7851 -8.7032 -8.6507 PRESSURE: 757400 -107.455 -109.216 -114.367 -109.216 -250.605 50.8596 -114.367 50.8594 -203.721 GPRESSURE: 757400 -94.0269 -18.1258 -70.5368 -152.938 -268.141 74.9982 -91.0356 44.1092 -93.7617 PRESSAVG: 757400 -2.85826 -24.0359 24.3832 -24.0358 3.74476 18.8434 24.3831 18.8434 21.9532 GPRESSAVG: 757400 -2.36261 -24.0636 26.1023 -23.4768 3.04267 19.4772 22.741 18.857 21.7834 TIMING: 757400 CPU: 2244.49, 0.00296937/step Wall: 2244.49, 0.00296937/step, 3.4994 hours remaining, 207.160156 MB of memory in use. ENERGY: 757400 757.2141 2070.0161 1955.8851 110.2798 -206132.3397 17556.1057 0.0000 0.0000 34171.4606 -149511.3783 298.4279 -183682.8389 -149414.0160 297.7920 -187.2606 -151.9767 557334.3217 7.6132 7.4878 PRESSURE: 757600 -97.4501 36.0346 25.2646 36.0348 -218.482 -50.8717 25.2638 -50.8725 -215.164 GPRESSURE: 757600 -37.9312 44.0639 62.7982 -43.0097 -160.288 -124.364 -11.6011 14.5105 -235.17 PRESSAVG: 757600 -1.4032 -21.9306 -15.9069 -21.9305 1.37147 -14.8397 -15.9069 -14.8397 4.11614 GPRESSAVG: 757600 -2.33496 -22.7674 -16.3062 -22.8408 1.49044 -14.295 -13.2728 -15.4557 4.44911 TIMING: 757600 CPU: 2245.09, 0.00297153/step Wall: 2245.09, 0.00297153/step, 3.50178 hours remaining, 207.160156 MB of memory in use. ENERGY: 757600 719.7293 2057.0623 1952.8266 107.7556 -206095.4177 17679.6868 0.0000 0.0000 34136.8400 -149441.5171 298.1255 -183578.3571 -149338.0272 298.3638 -177.0319 -144.4633 557483.9376 1.3615 1.2015 PRESSURE: 757800 124.463 -70.2466 -115.141 -70.2461 90.6675 43.617 -115.142 43.6156 62.2429 GPRESSURE: 757800 181.795 -29.1551 -90.36 -97.6601 150.642 67.8361 -176.646 49.4517 41.2149 PRESSAVG: 757800 -28.1855 -69.8436 13.9379 -69.8436 17.5195 3.90959 13.9379 3.90959 -31.7401 GPRESSAVG: 757800 -26.9195 -68.4848 12.3798 -69.754 16.1536 2.13602 12.7056 6.26038 -30.8258 TIMING: 757800 CPU: 2245.68, 0.00296094/step Wall: 2245.68, 0.00296094/step, 3.48914 hours remaining, 207.160156 MB of memory in use. ENERGY: 757800 769.6890 2137.7763 1957.9668 118.4669 -206869.7705 18199.3979 0.0000 0.0000 34206.7896 -149479.6840 298.7364 -183686.4737 -149380.4920 298.5251 92.4577 124.5506 556707.8435 -14.1354 -13.8639 PRESSURE: 758000 113.592 132.761 -60.9761 132.76 -50.4092 56.2474 -60.977 56.2475 -71.6249 GPRESSURE: 758000 141.487 128.058 -38.0053 178.045 10.0562 80.4678 -112.208 31.1886 -44.6595 PRESSAVG: 758000 -19.2277 17.7795 -5.5476 17.7795 15.0316 37.1172 -5.54747 37.1172 9.24333 GPRESSAVG: 758000 -19.3494 17.0987 -6.26952 18.0189 16.7523 38.7338 -6.87907 35.9692 7.64779 TIMING: 758000 CPU: 2246.28, 0.00299541/step Wall: 2246.28, 0.00299541/step, 3.52959 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: 758000 741.3747 2145.4861 1916.0775 111.5601 -206326.7944 17742.5836 0.0000 0.0000 34147.8880 -149521.8244 298.2220 -183669.7125 -149428.6943 298.5255 -2.8139 35.6279 557834.3868 1.6824 1.6836 PRESSURE: 758200 -136.995 115.241 88.9578 115.241 -343.609 127.685 88.9578 127.684 -392.084 GPRESSURE: 758200 -157.164 13.7455 51.3746 135.53 -291.501 91.361 52.3392 45.7764 -313.351 PRESSAVG: 758200 -20.3131 27.6268 25.6532 27.6267 34.3698 -33.4938 25.6532 -33.4939 -19.0935 GPRESSAVG: 758200 -20.5062 25.8093 27.8742 28.3821 34.7776 -35.4407 28.2189 -32.9635 -19.3115 TIMING: 758200 CPU: 2246.88, 0.00299903/step Wall: 2246.88, 0.00299903/step, 3.5337 hours remaining, 207.160156 MB of memory in use. ENERGY: 758200 751.1224 2102.7984 1961.2555 114.3895 -206031.6264 17476.1688 0.0000 0.0000 34329.6099 -149296.2820 299.8090 -183625.8918 -149198.8266 298.5702 -290.8961 -254.0050 558464.1150 -1.6789 -1.6800 PRESSURE: 758400 -242.251 30.9078 59.5237 30.9082 -144.003 -87.3514 59.5248 -87.3512 116.296 GPRESSURE: 758400 -179.432 -73.4229 92.6189 41.8077 -121.133 -34.1491 14.8687 -81.2058 119.744 PRESSAVG: 758400 -52.326 -29.1383 -32.4664 -29.1383 -6.17945 -34.5816 -32.4664 -34.5816 16.279 GPRESSAVG: 758400 -52.45 -25.5958 -34.2493 -32.4076 -6.34081 -33.6188 -33.3892 -36.8402 16.632 TIMING: 758400 CPU: 2247.48, 0.0030183/step Wall: 2247.48, 0.0030183/step, 3.55623 hours remaining, 207.160156 MB of memory in use. ENERGY: 758400 749.3318 2087.0589 1946.4779 118.9720 -206387.8876 17826.9632 0.0000 0.0000 34308.4172 -149350.6666 299.6239 -183659.0837 -149259.0534 298.3765 -89.9861 -60.2740 558782.1882 -14.0755 -14.0529 PRESSURE: 758600 -127.986 45.8426 -183.868 45.8435 -130.836 107.646 -183.867 107.646 -105.056 GPRESSURE: 758600 -122.861 127.639 -223.053 44.6749 -99.4027 143.998 -202.244 113.234 -47.1075 PRESSAVG: 758600 46.6276 -19.1954 -30.2169 -19.1953 -31.7791 15.151 -30.2167 15.1509 37.1496 GPRESSAVG: 758600 46.5512 -20.3645 -30.188 -16.0929 -32.6784 13.2752 -29.8435 17.22 37.3022 TIMING: 758600 CPU: 2248.08, 0.00297718/step Wall: 2248.08, 0.00297718/step, 3.50761 hours remaining, 207.160156 MB of memory in use. ENERGY: 758600 821.0335 2095.8146 1963.8001 109.1957 -206283.8987 17793.7937 0.0000 0.0000 34326.5879 -149173.6732 299.7826 -183500.2612 -149081.9789 298.8038 -121.2928 -89.7905 557556.0470 17.3327 17.0583 PRESSURE: 758800 -222.509 162.752 111.375 162.752 -476.338 254.243 111.374 254.244 -272.396 GPRESSURE: 758800 -159.285 152.925 112.446 159.636 -446.488 210.004 87.1988 241.692 -266.298 PRESSAVG: 758800 -47.7958 43.2658 -3.3543 43.2658 42.2929 17.0022 -3.35422 17.0021 40.7866 GPRESSAVG: 758800 -47.5082 43.1803 -3.2705 41.7752 42.3595 17.2356 -3.15146 18.797 39.8875 TIMING: 758800 CPU: 2248.67, 0.00297993/step Wall: 2248.67, 0.00297993/step, 3.51069 hours remaining, 207.160156 MB of memory in use. ENERGY: 758800 750.0409 2108.2835 1951.8292 119.6710 -205272.6595 17208.6979 0.0000 0.0000 34085.7140 -149048.4230 297.6790 -183134.1370 -148941.0362 298.5478 -323.7477 -290.6901 558308.8368 11.7612 11.5796 PRESSURE: 759000 18.361 -157.144 68.7886 -157.144 -35.7181 -17.7546 68.7883 -17.7513 58.1212 GPRESSURE: 759000 1.15876 -191.515 -29.3213 -168.597 2.07104 -49.2079 145.076 -101.546 118.958 PRESSAVG: 759000 9.52966 -27.8105 -10.6044 -27.8105 -59.4493 -10.3176 -10.6044 -10.3176 8.43192 GPRESSAVG: 759000 9.57992 -24.6325 -10.9758 -26.5745 -59.2974 -10.9658 -10.3502 -10.867 8.155 TIMING: 759000 CPU: 2249.27, 0.00297174/step Wall: 2249.27, 0.00297174/step, 3.50088 hours remaining, 207.160156 MB of memory in use. ENERGY: 759000 768.4266 2074.1632 1942.9308 120.4661 -206357.2459 17755.8964 0.0000 0.0000 34317.7752 -149377.5876 299.7057 -183695.3628 -149277.8839 298.5539 13.5880 40.7293 556898.7770 -13.8293 -13.8542 PRESSURE: 759200 -165.633 17.5282 -69.8099 17.5293 26.0999 62.0598 -69.8097 62.0598 -173.769 GPRESSURE: 759200 -150.525 -50.4338 -58.5134 83.587 17.7886 177.602 -44.1194 -44.6863 -93.6349 PRESSAVG: 759200 15.5721 -36.5245 -15.1198 -36.5245 -30.0237 -3.25901 -15.1198 -3.25901 22.9739 GPRESSAVG: 759200 14.6641 -38.807 -13.0918 -35.23 -30.167 -0.360713 -17.3766 -5.48371 24.3939 TIMING: 759200 CPU: 2249.86, 0.00297718/step Wall: 2249.86, 0.00297718/step, 3.50711 hours remaining, 207.160156 MB of memory in use. ENERGY: 759200 761.4261 2086.3701 1960.7993 107.8379 -205875.2507 17470.7412 0.0000 0.0000 34025.6224 -149462.4537 297.1542 -183488.0761 -149366.5710 298.9466 -104.4338 -75.4573 557086.7381 2.8408 2.9637 PRESSURE: 759400 126.879 52.7197 -212.476 52.7206 -75.6026 -112.175 -212.476 -112.175 -222.552 GPRESSURE: 759400 176.12 0.312162 -214.289 124.671 -62.9579 -146.466 -116.03 -175.974 -187.532 PRESSAVG: 759400 -11.3968 4.08505 -37.8271 4.08512 -39.1107 -4.45929 -37.8272 -4.45928 23.1366 GPRESSAVG: 759400 -11.4843 4.32593 -39.5826 2.71152 -39.0006 -6.86284 -35.8759 -1.18518 23.4188 TIMING: 759400 CPU: 2250.46, 0.00296765/step Wall: 2250.46, 0.00296765/step, 3.49573 hours remaining, 207.160156 MB of memory in use. ENERGY: 759400 755.1582 2120.1601 1946.7700 114.8525 -205901.7350 17582.6157 0.0000 0.0000 34055.0983 -149327.0803 297.4116 -183382.1786 -149230.6989 298.2759 -57.0920 -24.7899 557682.9767 -9.1236 -9.0220 PRESSURE: 759600 10.7353 -120.573 33.1622 -120.572 41.2627 -119.228 33.1635 -119.228 97.5396 GPRESSURE: 759600 80.51 -102.466 -18.2152 -65.4347 77.1293 -84.2151 18.1524 -205.685 97.3807 PRESSAVG: 759600 -40.1108 -43.5191 8.99596 -43.5189 11.3427 3.34731 8.99596 3.34731 15.8622 GPRESSAVG: 759600 -39.7012 -45.1472 10.7921 -43.9961 11.3118 4.16131 7.50229 2.80127 15.5431 TIMING: 759600 CPU: 2251.04, 0.00293924/step Wall: 2251.04, 0.00293924/step, 3.46209 hours remaining, 207.160156 MB of memory in use. ENERGY: 759600 787.4596 2111.8818 1940.5978 107.2682 -206483.4376 18086.6755 0.0000 0.0000 34089.9403 -149359.6143 297.7159 -183449.5547 -149265.9447 298.9129 49.8459 85.0066 558097.7157 -4.3020 -4.2821 PRESSURE: 759800 -133.879 7.53253 228.57 7.5329 176.716 -32.2836 228.569 -32.2823 -376.24 GPRESSURE: 759800 -145.733 8.15231 246.864 -7.07864 191.988 -99.4881 136.785 46.1745 -284 PRESSAVG: 759800 -55.0126 16.1966 3.31302 16.1967 75.0441 -25.828 3.31307 -25.828 -6.13328 GPRESSAVG: 759800 -53.7488 17.8005 3.39552 16.523 74.2862 -24.8685 2.8382 -26.6824 -6.46678 TIMING: 759800 CPU: 2251.64, 0.00296314/step Wall: 2251.64, 0.00296314/step, 3.49008 hours remaining, 207.160156 MB of memory in use. ENERGY: 759800 722.2842 2060.3856 1960.8066 109.6433 -206201.4762 17818.9448 0.0000 0.0000 34104.9745 -149424.4372 297.8472 -183529.4117 -149326.8876 298.3325 -111.1343 -79.2484 558874.9844 4.6328 4.6902 PRESSURE: 760000 -37.5348 4.58795 130.851 4.58807 -295.043 -114.185 130.85 -114.187 143.618 GPRESSURE: 760000 -13.186 41.9069 79.3581 -67.0113 -198.277 -172.958 79.4585 -147.152 138.241 PRESSAVG: 760000 -10.627 72.2406 32.4979 72.2407 -4.59 -51.1531 32.4979 -51.1532 35.7005 GPRESSAVG: 760000 -11.0169 72.7148 31.9367 71.3485 -3.4623 -53.4155 33.4673 -49.1817 34.5775 TIMING: 760000 CPU: 2252.23, 0.00298801/step Wall: 2252.23, 0.00298801/step, 3.51921 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: 760000 781.7883 2054.6100 1967.0195 111.2592 -206780.2437 18142.0768 0.0000 0.0000 34111.9196 -149611.5703 297.9079 -183723.4899 -149524.4343 297.9056 -62.9867 -24.4072 557111.5734 6.8278 6.6994 PRESSURE: 760200 -45.0293 -120.853 68.8166 -120.852 10.7321 165.439 68.8174 165.44 -68.7827 GPRESSURE: 760200 -42.344 -49.0084 93.1241 31.2913 37.0212 115.786 54.8629 273.92 -3.66533 PRESSAVG: 760200 1.42568 33.6404 18.2128 33.6404 -5.24058 53.1743 18.2128 53.1744 25.5897 GPRESSAVG: 760200 -0.0243636 31.9812 17.9983 33.4652 -4.63057 54.3559 18.3626 52.7223 26.7129 TIMING: 760200 CPU: 2252.83, 0.00298936/step Wall: 2252.83, 0.00298936/step, 3.52064 hours remaining, 207.160156 MB of memory in use. ENERGY: 760200 729.6418 2112.0917 1915.9258 124.1531 -206268.9678 17799.8048 0.0000 0.0000 34143.7048 -149443.6457 298.1855 -183587.3505 -149348.2625 298.0740 -34.3600 -2.9960 557963.2861 7.2583 7.3527 LDB: ============= START OF LOAD BALANCING ============== 2256.26 LDB: ============== END OF LOAD BALANCING =============== 2256.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2256.26 LDB: ============= START OF LOAD BALANCING ============== 2256.56 LDB: Largest compute 4820 load 0.033916 is 28.8% of average load 0.117825 LDB: Average compute 0.001722 is 1.5% of average load 0.117825 LDB: TIME 2256.56 LOAD: AVG 0.117825 MAX 0.199557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 2256.56 LOAD: AVG 0.117825 MAX 0.199557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: TIME 2256.56 LOAD: AVG 0.117825 MAX 0.199557 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2256.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2256.57 PRESSURE: 760400 26.1616 156.157 63.266 156.156 -43.352 305.696 63.2651 305.697 49.6319 GPRESSURE: 760400 55.9996 132.951 14.941 223.99 -21.0166 309.635 73.5362 285.392 84.5628 PRESSAVG: 760400 2.63878 34.6962 -10.3033 34.6962 13.8873 4.38835 -10.3032 4.38832 -42.9817 GPRESSAVG: 760400 3.67105 37.4817 -10.9427 32.4442 12.5456 4.0096 -10.7125 2.19745 -43.0471 TIMING: 760400 CPU: 2253.44, 0.00303032/step Wall: 2253.44, 0.00303032/step, 3.5687 hours remaining, 206.964844 MB of memory in use. ENERGY: 760400 741.4605 2072.6155 1941.3463 114.6323 -206414.2231 17957.1372 0.0000 0.0000 34162.8267 -149424.2046 298.3525 -183587.0313 -149329.8316 298.5228 10.8138 39.8486 557819.0014 -8.8185 -8.9435 PRESSURE: 760600 -225.992 25.024 -19.4878 25.0236 8.23424 -225.54 -19.4882 -225.541 44.0346 GPRESSURE: 760600 -188.745 -88.0725 -56.8302 54.0914 17.3257 -219.572 -87.4435 -176.683 93.734 PRESSAVG: 760600 16.3163 -2.08445 -45.8472 -2.08453 -5.69134 66.5347 -45.8471 66.5348 4.25104 GPRESSAVG: 760600 16.3768 -6.72362 -45.6003 2.02074 -6.16157 64.3398 -45.6901 68.051 4.21774 TIMING: 760600 CPU: 2254.03, 0.00298287/step Wall: 2254.03, 0.00298287/step, 3.51266 hours remaining, 207.035156 MB of memory in use. ENERGY: 760600 762.9457 2113.3411 1953.2417 114.8726 -206316.6912 17775.2021 0.0000 0.0000 34156.5788 -149440.5090 298.2979 -183597.0879 -149349.9178 298.1723 -57.9077 -25.8951 558086.6999 4.9587 4.8110 PRESSURE: 760800 -135.043 71.5034 117.289 71.5034 -172.133 -66.2223 117.289 -66.2226 128.469 GPRESSURE: 760800 -118.722 76.5514 178.204 47.145 -128.939 -22.2578 -4.01256 -112.922 159.971 PRESSAVG: 760800 -18.8246 24.8572 -6.49711 24.8573 3.61262 -24.9413 -6.4972 -24.9413 -0.226929 GPRESSAVG: 760800 -19.7074 26.2443 -5.97864 24.7183 4.28182 -22.6647 -7.27795 -25.83 -0.141436 TIMING: 760800 CPU: 2254.63, 0.00298624/step Wall: 2254.63, 0.00298624/step, 3.51646 hours remaining, 207.035156 MB of memory in use. ENERGY: 760800 778.3724 2126.7968 1945.2943 116.3960 -206564.4207 17826.4514 0.0000 0.0000 34276.0251 -149495.0846 299.3411 -183771.1097 -149402.4541 298.5557 -59.5690 -29.2300 557206.5401 -5.1463 -5.1890 PRESSURE: 761000 49.5746 147.692 40.5293 147.69 -48.2765 -103.104 40.53 -103.104 321.154 GPRESSURE: 761000 53.2544 40.8025 35.4707 220.605 24.8827 -123.154 36.4544 -51.2965 360.497 PRESSAVG: 761000 -5.21078 -6.14272 16.151 -6.14278 16.4624 30.6836 16.1509 30.6835 9.37637 GPRESSAVG: 761000 -5.99045 -4.81485 14.2754 -8.27124 17.1696 30.7058 15.125 30.3674 8.56331 TIMING: 761000 CPU: 2255.23, 0.00298322/step Wall: 2255.23, 0.00298322/step, 3.51274 hours remaining, 207.035156 MB of memory in use. ENERGY: 761000 689.6004 2132.9919 1924.1966 121.2167 -206406.5968 18023.8672 0.0000 0.0000 34013.6457 -149501.0783 297.0496 -183514.7240 -149403.0748 298.9350 107.4839 146.2113 556604.0428 6.8760 6.5808 PRESSURE: 761200 -104.383 26.5548 -125.839 26.5552 -115.57 150.821 -125.841 150.822 -81.6379 GPRESSURE: 761200 -47.2065 83.8219 -183.879 -42.1773 -126.007 176.001 -89.5698 99.7732 -40.8348 PRESSAVG: 761200 -9.31523 15.5153 -79.3923 15.5152 50.2799 -12.2283 -79.3922 -12.2284 3.40515 GPRESSAVG: 761200 -8.08925 14.18 -78.7427 18.0823 48.6578 -11.6181 -78.4545 -13.2576 3.30977 TIMING: 761200 CPU: 2255.82, 0.00297208/step Wall: 2255.82, 0.00297208/step, 3.49946 hours remaining, 207.035156 MB of memory in use. ENERGY: 761200 721.8756 2136.1346 1963.9388 113.8181 -206507.1845 17852.0364 0.0000 0.0000 34195.6954 -149523.6857 298.6395 -183719.3811 -149431.6430 298.5915 -100.5303 -71.3494 557011.1986 14.7899 14.6261 PRESSURE: 761400 204.546 -119.702 -7.93279 -119.702 -289.81 18.211 -7.93354 18.21 -180.19 GPRESSURE: 761400 303.771 -106.574 14.6611 -39.6364 -323.262 29.3616 31.7209 17.2795 -148.992 PRESSAVG: 761400 21.2145 58.798 8.70655 58.798 6.78674 51.2711 8.70666 51.2711 31.6544 GPRESSAVG: 761400 21.7495 58.9905 10.961 57.8798 7.29861 50.7538 7.6685 49.4509 30.9788 TIMING: 761400 CPU: 2256.42, 0.00297884/step Wall: 2256.42, 0.00297884/step, 3.50726 hours remaining, 207.035156 MB of memory in use. ENERGY: 761400 719.8278 2111.5794 1948.2136 118.8617 -206246.4510 17651.9785 0.0000 0.0000 34342.7967 -149353.1933 299.9242 -183695.9900 -149253.8050 299.1750 -88.4848 -56.1611 557469.1882 19.8852 20.0090 PRESSURE: 761600 -72.2608 61.1101 43.9193 61.1091 -135.244 -39.3938 43.9195 -39.3954 -10.6589 GPRESSURE: 761600 10.3503 118.533 55.5921 -4.52405 -162.094 -57.2758 51.9583 -33.1927 23.348 PRESSAVG: 761600 85.5438 5.64549 46.9697 5.64553 25.8843 -4.36822 46.9696 -4.36828 -98.8974 GPRESSAVG: 761600 84.6611 4.87282 45.3558 5.91375 26.3806 -4.06354 48.4796 -6.13699 -98.4719 TIMING: 761600 CPU: 2257.02, 0.00299075/step Wall: 2257.02, 0.00299075/step, 3.5211 hours remaining, 207.035156 MB of memory in use. ENERGY: 761600 767.7024 2079.6585 1935.5188 108.5071 -206121.1143 17637.6949 0.0000 0.0000 34238.5953 -149353.4372 299.0142 -183592.0326 -149254.9202 299.0756 -72.7213 -42.7987 557715.3674 4.1769 4.1899 PRESSURE: 761800 213.412 65.0836 -12.1191 65.0833 50.2416 -53.5217 -12.1195 -53.5227 37.0824 GPRESSURE: 761800 245.694 130.292 -20.4176 49.7654 114.614 -67.1691 10.8332 -119.647 24.2687 PRESSAVG: 761800 -0.42386 -4.57368 -6.20306 -4.5737 40.4026 4.91306 -6.20306 4.91309 -33.8311 GPRESSAVG: 761800 0.130837 -2.07037 -6.13115 -5.73417 39.6592 2.41818 -6.32672 8.52139 -33.3566 TIMING: 761800 CPU: 2257.61, 0.00298176/step Wall: 2257.61, 0.00298176/step, 3.51037 hours remaining, 207.035156 MB of memory in use. ENERGY: 761800 740.9810 2113.0195 1915.4160 121.1351 -206536.9545 18087.4964 0.0000 0.0000 34242.9799 -149315.9267 299.0525 -183558.9066 -149218.2961 299.4089 100.2454 128.1923 557067.6515 2.0492 2.1445 PRESSURE: 762000 101.526 -126.476 183.649 -126.476 14.9898 -54.0536 183.651 -54.0528 186.407 GPRESSURE: 762000 118.707 -178.29 218.501 -105.736 72.6866 -24.7983 157.598 -43.9284 214.094 PRESSAVG: 762000 -9.45201 11.0281 -61.3277 11.0281 23.395 14.3338 -61.3276 14.334 53.8616 GPRESSAVG: 762000 -9.1132 10.9798 -62.9537 8.95842 22.1897 16.289 -60.5889 13.543 54.6315 TIMING: 762000 CPU: 2258.21, 0.00296858/step Wall: 2258.21, 0.00296858/step, 3.49468 hours remaining, 207.035156 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: 762000 727.7768 2091.0695 1928.0818 114.7955 -206639.7260 18068.5293 0.0000 0.0000 34229.6509 -149479.8222 298.9361 -183709.4731 -149381.4713 299.0124 100.9745 135.1626 556954.7222 22.6015 22.5693 PRESSURE: 762200 -63.6508 -23.7561 -105.418 -23.7565 246.152 -55.8028 -105.418 -55.8018 286.846 GPRESSURE: 762200 -54.8273 6.3215 -49.4308 -43.3627 331.665 -37.9899 -76.867 -101.425 300.202 PRESSAVG: 762200 -54.3519 -1.50285 -76.7705 -1.5029 34.3804 -38.6048 -76.7705 -38.6048 2.785 GPRESSAVG: 762200 -55.1901 -2.9773 -74.895 1.88941 36.07 -38.2539 -79.0005 -38.9106 1.89084 TIMING: 762200 CPU: 2258.8, 0.0029595/step Wall: 2258.8, 0.0029595/step, 3.48382 hours remaining, 207.035156 MB of memory in use. ENERGY: 762200 739.2820 2114.8752 1929.9040 111.5126 -206496.3608 17933.6880 0.0000 0.0000 34025.2085 -149641.8904 297.1506 -183667.0989 -149549.2581 298.3383 156.4491 192.3464 557363.5695 -5.7288 -5.7431 PRESSURE: 762400 -6.62482 -187.344 -37.1661 -187.345 -241.919 -93.6381 -37.166 -93.6374 84.4383 GPRESSURE: 762400 32.4828 -200.47 98.6125 -197.478 -205.55 -94.9715 -37.5297 -110.13 106.696 PRESSAVG: 762400 61.0697 -8.34113 -37.78 -8.34116 -19.6062 -37.4131 -37.78 -37.4129 -19.1475 GPRESSAVG: 762400 60.9403 -7.07335 -38.8504 -9.02986 -19.7355 -36.2564 -35.1055 -37.7477 -19.1047 TIMING: 762400 CPU: 2259.39, 0.00296424/step Wall: 2259.39, 0.00296424/step, 3.48924 hours remaining, 207.035156 MB of memory in use. ENERGY: 762400 748.0591 2087.5070 1933.6435 96.8211 -206347.9590 17772.6338 0.0000 0.0000 34068.9952 -149640.2994 297.5330 -183709.2946 -149536.1394 297.9081 -54.7020 -22.1237 558322.8067 7.4387 7.3667 PRESSURE: 762600 -105.028 115.089 -31.6858 115.09 -403.301 138.034 -31.6866 138.034 -262.319 GPRESSURE: 762600 -90.8369 137.951 21.6658 102.355 -368.393 108.682 -82.2906 93.2936 -216.517 PRESSAVG: 762600 15.1919 -9.75209 28.3703 -9.75198 0.0326262 30.5701 28.3703 30.5701 3.00774 GPRESSAVG: 762600 15.4991 -9.34977 28.2899 -11.408 -0.786658 27.4731 27.8906 32.0462 3.33401 TIMING: 762600 CPU: 2259.98, 0.00295387/step Wall: 2259.98, 0.00295387/step, 3.47687 hours remaining, 207.035156 MB of memory in use. ENERGY: 762600 731.0721 2070.2838 1942.2177 111.4605 -206086.3135 17610.0659 0.0000 0.0000 34204.7154 -149416.4981 298.7183 -183621.2134 -149318.6592 298.4097 -256.8823 -225.2490 559918.2191 6.0774 6.0155 PRESSURE: 762800 49.8967 -75.1476 -55.1597 -75.1478 -261.017 60.9284 -55.1598 60.9291 -180.494 GPRESSURE: 762800 49.3982 -102.446 -99.5644 -58.0056 -220.155 150.947 -16.1532 40.458 -131.254 PRESSAVG: 762800 39.5434 11.9074 -33.5809 11.9073 -30.5974 -22.4676 -33.5809 -22.4676 -6.15933 GPRESSAVG: 762800 39.6228 11.4768 -34.45 12.6682 -30.8886 -20.5817 -32.391 -24.1855 -6.07055 TIMING: 762800 CPU: 2260.58, 0.00297006/step Wall: 2260.58, 0.00297006/step, 3.49576 hours remaining, 207.035156 MB of memory in use. ENERGY: 762800 809.8532 2092.9743 1921.1551 106.8481 -206295.6293 17715.9412 0.0000 0.0000 34142.9141 -149505.9433 298.1786 -183648.8574 -149410.4123 298.3267 -130.5383 -100.6703 558532.2831 0.9289 0.8879 PRESSURE: 763000 -103.034 76.4786 94.1466 76.4786 92.5126 -82.6525 94.1452 -82.6542 4.85232 GPRESSURE: 763000 -103.567 32.3057 124.314 18.5868 143.26 -118.038 92.0211 -60.5749 64.7181 PRESSAVG: 763000 75.2695 -26.8439 2.8463 -26.8439 -33.5411 19.8597 2.84622 19.8597 -25.584 GPRESSAVG: 763000 74.5059 -26.2895 5.02531 -28.5003 -32.4443 17.8271 0.751798 22.0991 -25.2514 TIMING: 763000 CPU: 2261.17, 0.00298433/step Wall: 2261.17, 0.00298433/step, 3.51239 hours remaining, 207.035156 MB of memory in use. ENERGY: 763000 720.8751 2146.1041 1934.6451 117.9742 -206644.6674 17953.2860 0.0000 0.0000 34307.0027 -149464.7804 299.6116 -183771.7830 -149370.1739 298.2785 -1.8898 34.8037 556380.0335 5.3815 5.6034 PRESSURE: 763200 -133.874 -76.4852 -2.48965 -76.485 243.124 29.3253 -2.4899 29.3259 -311.709 GPRESSURE: 763200 -81.4069 -39.4884 20.3096 -145.683 273.732 -120.032 -86.29 98.2173 -298.485 PRESSAVG: 763200 -37.7865 -51.1561 -22.7264 -51.1562 79.9888 -41.1306 -22.7264 -41.1306 -13.2721 GPRESSAVG: 763200 -36.0717 -50.3812 -23.8755 -50.2394 77.9167 -40.858 -22.5984 -42.9391 -12.9638 TIMING: 763200 CPU: 2261.77, 0.00297913/step Wall: 2261.77, 0.00297913/step, 3.5061 hours remaining, 207.035156 MB of memory in use. ENERGY: 763200 739.1110 2111.2419 1944.6557 102.8653 -206197.7850 17726.0726 0.0000 0.0000 34146.7703 -149427.0684 298.2122 -183573.8386 -149330.1061 298.2705 -67.4865 -35.3866 556984.3527 9.6434 9.6271 PRESSURE: 763400 -246.955 -26.17 94.9181 -26.1702 -465.711 98.697 94.9181 98.6948 -313.946 GPRESSURE: 763400 -257.938 -47.3454 37.0847 -13.2675 -400.132 165.774 125.944 41.3059 -277.25 PRESSAVG: 763400 8.13102 -31.1181 -9.30805 -31.1182 -31.2287 -22.0437 -9.30799 -22.0437 25.7382 GPRESSAVG: 763400 6.57376 -32.4534 -9.5199 -31.5588 -29.651 -20.9334 -10.5616 -21.3269 24.4091 TIMING: 763400 CPU: 2262.36, 0.0029442/step Wall: 2262.36, 0.0029442/step, 3.46483 hours remaining, 207.035156 MB of memory in use. ENERGY: 763400 762.2335 2092.7279 1947.7192 110.7377 -206131.1305 17545.4246 0.0000 0.0000 34254.0819 -149418.2057 299.1494 -183672.2876 -149329.3273 298.9081 -342.2043 -311.7735 557634.0378 0.8802 0.4440 PRESSURE: 763600 -10.3853 50.4949 57.3102 50.4947 105.17 16.6413 57.311 16.6409 90.703 GPRESSURE: 763600 32.7645 116.009 202.744 16.7379 164.311 -42.423 6.59906 -68.8192 79.9139 PRESSAVG: 763600 36.0412 9.03522 -35.7824 9.03526 -26.2911 1.03596 -35.7824 1.03595 -6.22343 GPRESSAVG: 763600 36.3188 12.1861 -35.4206 8.22158 -26.4742 -0.719508 -34.4647 0.810435 -6.11659 TIMING: 763600 CPU: 2262.95, 0.00293799/step Wall: 2262.95, 0.00293799/step, 3.45737 hours remaining, 207.035156 MB of memory in use. ENERGY: 763600 734.8269 2112.8504 1936.6654 114.8307 -206625.1980 17979.8590 0.0000 0.0000 34142.8487 -149603.3168 298.1780 -183746.1655 -149517.7856 297.9673 61.8291 92.3297 556593.0635 1.1756 1.2427 PRESSURE: 763800 191.587 47.46 45.0183 47.4608 95.8319 50.8426 45.0192 50.8415 176.85 GPRESSURE: 763800 200.107 7.21334 68.5683 31.9156 134.791 94.469 50.0455 109.816 228.497 PRESSAVG: 763800 44.7283 34.8205 -21.7115 34.8204 -40.6326 30.5873 -21.7116 30.5874 35.0674 GPRESSAVG: 763800 44.8808 34.4938 -21.6274 34.6536 -40.4849 33.0096 -21.3745 30.4599 34.6085 TIMING: 763800 CPU: 2263.54, 0.00295774/step Wall: 2263.54, 0.00295774/step, 3.48044 hours remaining, 207.035156 MB of memory in use. ENERGY: 763800 747.4118 2124.7067 1927.5836 120.2867 -206643.5914 18083.4436 0.0000 0.0000 34105.7213 -149534.4377 297.8537 -183640.1589 -149440.4534 297.7146 154.7562 187.7983 556457.3141 13.0544 13.0015 PRESSURE: 764000 -115.865 123.495 -147.505 123.495 -211.521 -179.352 -147.506 -179.354 43.3597 GPRESSURE: 764000 -142.259 111.8 -147.04 64.0374 -150.745 -154.161 -170.715 -177.749 102.21 PRESSAVG: 764000 13.5716 -4.55139 30.5326 -4.5514 -77.0312 46.4619 30.5326 46.462 47.9388 GPRESSAVG: 764000 12.9194 -6.55423 30.8807 -4.83382 -77.1097 47.1002 30.7178 44.6929 48.7789 TIMING: 764000 CPU: 2264.13, 0.00296197/step Wall: 2264.13, 0.00296197/step, 3.48525 hours remaining, 207.035156 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: 764000 725.0260 2052.9683 1972.5407 122.5574 -206229.2645 17816.0405 0.0000 0.0000 34099.5070 -149440.6248 297.7995 -183540.1318 -149337.2948 298.1179 -94.6754 -63.5980 557976.6774 -5.1736 -5.1371 PRESSURE: 764200 -289.362 -109.358 69.9139 -109.359 -299.953 38.8267 69.9145 38.8271 -187.776 GPRESSURE: 764200 -246.96 -113.654 -2.20974 -67.2886 -283.257 36.2423 105.6 33.9644 -144.741 PRESSAVG: 764200 -46.2373 4.0672 44.4413 4.06721 -15.7669 -1.05468 44.4412 -1.05474 30.6321 GPRESSAVG: 764200 -46.2123 2.34741 47.1051 7.91739 -15.4254 -2.25312 41.5838 0.111766 30.1747 TIMING: 764200 CPU: 2264.73, 0.00298131/step Wall: 2264.73, 0.00298131/step, 3.50784 hours remaining, 207.035156 MB of memory in use. ENERGY: 764200 768.5166 2093.5866 1951.2459 125.2735 -206143.5263 17723.3130 0.0000 0.0000 33918.9965 -149562.5942 296.2230 -183481.5907 -149472.2977 298.1750 -259.0304 -224.9863 559565.1137 -10.4574 -10.4877 LDB: ============= START OF LOAD BALANCING ============== 2268.15 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2268.15 LDB: =============== DONE WITH MIGRATION ================ 2268.16 LDB: ============= START OF LOAD BALANCING ============== 2268.45 LDB: Largest compute 4820 load 0.031835 is 27.0% of average load 0.117877 LDB: Average compute 0.001728 is 1.5% of average load 0.117877 LDB: TIME 2268.46 LOAD: AVG 0.117877 MAX 0.19906 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.062 MB LDB: TIME 2268.46 LOAD: AVG 0.117877 MAX 0.19906 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.266 MB LDB: TIME 2268.46 LOAD: AVG 0.117877 MAX 0.19906 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.266 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2268.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2268.46 PRESSURE: 764400 -91.9109 31.9956 -146.497 31.9965 -111.537 61.4963 -146.497 61.4965 116.932 GPRESSURE: 764400 -59.6208 45.0813 -177.978 77.8009 -80.6988 42.3322 -101.787 28.4987 147.209 PRESSAVG: 764400 45.903 -44.8275 35.1074 -44.8274 -8.32758 -20.3993 35.1074 -20.3993 -15.6326 GPRESSAVG: 764400 45.7697 -42.9264 32.4508 -47.3424 -9.12937 -21.1586 36.2313 -21.2107 -14.5148 TIMING: 764400 CPU: 2265.33, 0.00303837/step Wall: 2265.33, 0.00303837/step, 3.57481 hours remaining, 205.425781 MB of memory in use. ENERGY: 764400 774.1527 2081.6259 1975.9528 110.6908 -206426.8681 17846.9392 0.0000 0.0000 33841.0314 -149796.4753 295.5421 -183637.5067 -149705.9366 297.9852 -28.8383 2.2964 557714.0371 7.3143 7.3752 PRESSURE: 764600 -155.647 116.549 -50.4866 116.549 -111.797 -30.7748 -50.4872 -30.7756 63.5383 GPRESSURE: 764600 -123.787 207.162 -108.369 137.55 -93.0421 -78.8382 35.3354 -51.61 104.028 PRESSAVG: 764600 -30.4308 3.61498 -11.8322 3.6149 -14.9597 34.213 -11.8322 34.2129 69.5334 GPRESSAVG: 764600 -29.5693 4.5468 -13.3886 3.6087 -13.845 34.8373 -10.4819 35.3756 68.0123 TIMING: 764600 CPU: 2265.93, 0.00298748/step Wall: 2265.93, 0.00298748/step, 3.51477 hours remaining, 205.425781 MB of memory in use. ENERGY: 764600 734.3698 2076.8693 1949.4729 122.1235 -206222.4186 17662.6679 0.0000 0.0000 34155.2799 -149521.6354 298.2866 -183676.9152 -149425.3344 297.7410 -67.9687 -37.6006 557586.0941 8.0476 8.1993 PRESSURE: 764800 -267.397 -14.3272 67.2 -14.326 -83.4263 75.4744 67.1991 75.4734 -187.23 GPRESSURE: 764800 -187.495 61.5364 41.6273 -39.2761 -52.6092 74.0215 130.162 110.683 -211.473 PRESSAVG: 764800 -72.7812 8.012 1.39535 8.012 15.1382 12.1336 1.39543 12.1335 48.4248 GPRESSAVG: 764800 -74.8986 7.55621 3.28411 8.64888 16.1509 12.7115 -0.215116 12.1557 50.2199 TIMING: 764800 CPU: 2266.52, 0.0029637/step Wall: 2266.52, 0.0029637/step, 3.48663 hours remaining, 205.425781 MB of memory in use. ENERGY: 764800 719.9198 2071.9412 1990.7567 107.0837 -206227.4183 17722.8567 0.0000 0.0000 34061.3925 -149553.4677 297.4666 -183614.8601 -149457.2410 297.3047 -179.3510 -150.5258 558404.7082 -3.0727 -2.8426 PRESSURE: 765000 61.4272 -79.0574 -139.223 -79.0589 -107.392 90.224 -139.223 90.2238 271.328 GPRESSURE: 765000 117.098 -140.182 -46.283 -97.119 -84.2533 93.6083 -165.83 129.502 299.4 PRESSAVG: 765000 33.2335 -4.19948 52.6889 -4.1994 -46.6106 -14.2876 52.6889 -14.2875 70.1367 GPRESSAVG: 765000 35.7818 -4.66037 52.298 -4.85104 -47.4172 -14.3197 52.8982 -16.2411 68.7591 TIMING: 765000 CPU: 2267.12, 0.00297059/step Wall: 2267.12, 0.00297059/step, 3.49457 hours remaining, 205.425781 MB of memory in use. ENERGY: 765000 733.6174 2079.0619 1949.6424 114.3746 -206090.4977 17941.7804 0.0000 0.0000 33806.0690 -149465.9519 295.2368 -183272.0209 -149370.4654 298.7542 75.1213 110.7481 558109.7458 18.9199 19.0412 PRESSURE: 765200 148.581 -54.8242 -74.5972 -54.8233 6.89368 5.54377 -74.5967 5.54417 82.8461 GPRESSURE: 765200 124.318 -47.9561 27.6546 -56.876 64.403 -63.7343 -76.7951 112.799 134.363 PRESSAVG: 765200 -4.30093 2.24815 20.4533 2.24816 64.4129 73.3222 20.4533 73.3222 -66.1164 GPRESSAVG: 765200 -3.67652 3.36442 20.1764 1.76449 63.7443 72.5399 20.6362 75.1062 -65.8019 TIMING: 765200 CPU: 2267.71, 0.002972/step Wall: 2267.71, 0.002972/step, 3.49606 hours remaining, 205.425781 MB of memory in use. ENERGY: 765200 724.9036 2114.9549 1942.9082 110.7134 -206250.0121 17887.3997 0.0000 0.0000 34067.0472 -149402.0851 297.5160 -183469.1323 -149308.5425 298.6594 79.4402 107.6946 558318.8777 -2.0015 -1.9114 PRESSURE: 765400 36.5811 -10.0044 -4.43231 -10.003 61.4799 232.34 -4.43257 232.342 -158.935 GPRESSURE: 765400 50.887 -36.167 -26.36 20.6716 92.9045 178.05 25.1643 245.927 -112.138 PRESSAVG: 765400 13.1375 25.8349 -28.5004 25.8349 -27.5917 32.8163 -28.5004 32.8163 -8.30544 GPRESSAVG: 765400 12.7972 24.7938 -27.1921 26.2194 -26.8006 31.7837 -28.0068 32.9244 -8.22063 TIMING: 765400 CPU: 2268.3, 0.00295084/step Wall: 2268.3, 0.00295084/step, 3.47101 hours remaining, 205.425781 MB of memory in use. ENERGY: 765400 754.8094 2112.6712 1923.8859 100.2584 -206334.9846 17872.0893 0.0000 0.0000 34204.6913 -149366.5792 298.7181 -183571.2704 -149265.5498 298.4921 -20.2914 10.5512 556252.6210 -7.5866 -7.4080 PRESSURE: 765600 316.997 -32.1871 -37.7799 -32.1875 125.241 -39.1711 -37.7796 -39.1705 148.783 GPRESSURE: 765600 329.528 -24.7154 -55.6922 -53.6114 152.778 -81.1424 -35.2391 -38.2776 214.485 PRESSAVG: 765600 16.3905 -20.6803 -39.4265 -20.6804 -35.5192 12.3498 -39.4264 12.3498 -16.1264 GPRESSAVG: 765600 16.0743 -19.0104 -40.7237 -22.4676 -35.0428 13.6445 -38.5833 11.5219 -16.4822 TIMING: 765600 CPU: 2268.89, 0.0029568/step Wall: 2268.89, 0.0029568/step, 3.47786 hours remaining, 205.425781 MB of memory in use. ENERGY: 765600 719.5450 2094.5461 1948.1274 101.3970 -206681.0465 18121.6503 0.0000 0.0000 34477.3228 -149218.4581 301.0990 -183695.7809 -149121.0743 298.6949 197.0070 232.2640 558231.3575 -11.7517 -11.8169 PRESSURE: 765800 -105.944 -129.307 -66.7767 -129.308 -484.211 29.0975 -66.7769 29.0973 -49.8828 GPRESSURE: 765800 -113.867 -112.533 -19.737 -98.8967 -463.283 42.0519 -36.3719 59.9141 38.143 PRESSAVG: 765800 29.985 -30.7378 -17.3958 -30.7379 -56.026 1.59302 -17.3959 1.5929 51.3905 GPRESSAVG: 765800 29.8764 -31.448 -16.8713 -29.2121 -56.3616 2.3671 -18.2051 1.35407 51.5898 TIMING: 765800 CPU: 2269.49, 0.00295828/step Wall: 2269.49, 0.00295828/step, 3.47943 hours remaining, 205.425781 MB of memory in use. ENERGY: 765800 763.7609 2077.9119 1940.9235 111.8598 -206329.3500 17702.7686 0.0000 0.0000 34289.5348 -149442.5906 299.4590 -183732.1253 -149343.1924 299.4656 -213.3462 -179.6691 559510.5758 8.4498 8.3682 PRESSURE: 766000 87.4205 -105.88 76.8756 -105.879 32.0385 133.968 76.8775 133.967 197.758 GPRESSURE: 766000 142.267 -118.015 73.883 -13.2626 121.163 31.139 43.3763 212.161 127.187 PRESSAVG: 766000 65.4287 8.00597 -14.5354 8.00604 -70.3065 9.56232 -14.5354 9.56244 21.134 GPRESSAVG: 766000 66.3335 8.49015 -15.7801 8.28271 -70.4419 9.15618 -12.5952 9.88251 20.4403 TIMING: 766000 CPU: 2270.08, 0.0029709/step Wall: 2270.08, 0.0029709/step, 3.4941 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: 766000 743.9325 2085.6377 1950.0438 116.0207 -206685.1116 18131.5359 0.0000 0.0000 34322.2757 -149335.6652 299.7450 -183657.9409 -149230.7676 298.8375 105.7390 130.2057 558354.9886 5.4187 5.4440 PRESSURE: 766200 149.513 -208.463 -109.34 -208.463 11.4933 -166.204 -109.338 -166.204 145.122 GPRESSURE: 766200 170.584 -202.623 -78.0444 -201.999 43.6569 -119.961 -233.273 -214.42 184.431 PRESSAVG: 766200 6.16415 26.9962 -31.2968 26.9962 -20.1247 8.04509 -31.2968 8.04507 49.4126 GPRESSAVG: 766200 4.52909 25.5448 -26.5321 28.9904 -21.061 8.83124 -36.7608 8.37349 50.9236 TIMING: 766200 CPU: 2270.67, 0.00297219/step Wall: 2270.67, 0.00297219/step, 3.49547 hours remaining, 205.425781 MB of memory in use. ENERGY: 766200 753.6568 2107.9264 1957.2115 105.2501 -206694.8656 18142.8766 0.0000 0.0000 34203.3701 -149424.5741 298.7065 -183627.9442 -149330.8610 298.5221 102.0427 132.8907 558139.3650 11.8174 11.4639 PRESSURE: 766400 -351.207 -58.512 -101.865 -58.5112 -220.757 81.6775 -101.863 81.677 220.851 GPRESSURE: 766400 -274.89 -92.1887 -41.915 -71.5243 -156.487 52.7651 -104.878 35.1577 181.424 PRESSAVG: 766400 -43.9313 -26.1537 -43.1694 -26.1538 58.1647 12.9848 -43.1693 12.9848 -37.3137 GPRESSAVG: 766400 -44.4287 -23.9242 -46.3916 -28.4767 58.9759 12.8813 -38.8905 12.6145 -37.4714 TIMING: 766400 CPU: 2271.27, 0.00296278/step Wall: 2271.27, 0.00296278/step, 3.48423 hours remaining, 205.425781 MB of memory in use. ENERGY: 766400 743.2567 2103.6353 1975.9138 115.6230 -206503.8945 17916.1139 0.0000 0.0000 34442.2087 -149207.1430 300.7924 -183649.3517 -149102.4279 298.9006 -117.0376 -83.3176 559103.7226 -7.6935 -7.6414 PRESSURE: 766600 140.656 -42.6077 -60.137 -42.6077 -268.041 -106.297 -60.137 -106.298 -107.687 GPRESSURE: 766600 122.581 38.61 -125.975 -9.01295 -185.962 -44.4585 -21.1744 -143.367 -70.7667 PRESSAVG: 766600 -59.4726 -33.8884 0.582473 -33.8883 1.20238 5.40183 0.582543 5.40182 40.6154 GPRESSAVG: 766600 -59.1846 -34.7094 2.33478 -33.2166 1.57788 5.64039 -0.451153 6.28158 40.0322 TIMING: 766600 CPU: 2271.86, 0.00296505/step Wall: 2271.86, 0.00296505/step, 3.48673 hours remaining, 205.425781 MB of memory in use. ENERGY: 766600 766.3456 2108.4808 1963.3192 110.3115 -206276.6066 17756.7778 0.0000 0.0000 34450.3791 -149120.9925 300.8637 -183571.3716 -149017.3682 298.9390 -78.3571 -44.7160 557966.5695 -5.8849 -5.8582 PRESSURE: 766800 -8.89303 156.874 -114.445 156.873 -153.611 8.33211 -114.444 8.33178 -51.9424 GPRESSURE: 766800 41.4969 200.133 -101.266 68.2856 -136.261 14.8676 -125.614 86.7233 -39.7027 PRESSAVG: 766800 3.2226 25.8482 -22.0765 25.8482 1.77357 -30.7246 -22.0766 -30.7246 -2.16941 GPRESSAVG: 766800 3.00878 24.8242 -24.7169 27.6728 1.32617 -31.9508 -21.3537 -30.7048 -1.63627 TIMING: 766800 CPU: 2272.45, 0.00295243/step Wall: 2272.45, 0.00295243/step, 3.47173 hours remaining, 205.425781 MB of memory in use. ENERGY: 766800 779.3703 2118.4519 1964.7508 127.8053 -206052.1147 17792.3881 0.0000 0.0000 34097.5310 -149171.8174 297.7822 -183269.3484 -149078.3426 299.6821 -71.4822 -44.8223 558364.1609 0.9423 0.8996 PRESSURE: 767000 -322.921 -17.9037 82.1958 -17.9041 -167.113 -59.8157 82.1976 -59.814 -193.206 GPRESSURE: 767000 -300.385 -56.4594 19.7632 29.3496 -127.795 -149.825 207.08 -119.371 -153.669 PRESSAVG: 767000 -16.2644 -29.4089 -5.97816 -29.409 -17.8786 2.09117 -5.97822 2.09112 20.6277 GPRESSAVG: 767000 -17.76 -27.911 -3.87082 -30.6677 -16.7314 2.12167 -5.83924 4.33322 20.7929 TIMING: 767000 CPU: 2273.05, 0.00297944/step Wall: 2273.05, 0.00297944/step, 3.50332 hours remaining, 205.425781 MB of memory in use. ENERGY: 767000 769.3961 2107.6396 1952.6637 111.6678 -206189.2041 17591.3993 0.0000 0.0000 34394.0452 -149262.3923 300.3718 -183656.4375 -149147.8616 299.4763 -227.7465 -193.9496 559446.2518 -4.5051 -4.5662 PRESSURE: 767200 97.3324 -78.4302 44.1962 -78.4297 292.985 -117.969 44.1955 -117.969 141.213 GPRESSURE: 767200 180.571 -77.4767 -4.56562 -12.9714 340.128 -143.234 24.5316 -81.7603 124.894 PRESSAVG: 767200 0.977299 -53.0499 15.0704 -53.05 -5.14762 -10.4051 15.0704 -10.405 -25.9254 GPRESSAVG: 767200 2.13178 -55.0349 13.7922 -52.8991 -5.93628 -13.1091 15.0311 -10.8877 -26.6106 TIMING: 767200 CPU: 2273.64, 0.00299174/step Wall: 2273.64, 0.00299174/step, 3.51763 hours remaining, 205.425781 MB of memory in use. ENERGY: 767200 744.3148 2126.4111 1970.9465 122.0492 -206707.2645 18235.9793 0.0000 0.0000 34157.4347 -149350.1289 298.3054 -183507.5637 -149252.1313 298.1573 177.1768 215.1976 556803.8110 -10.0319 -10.1384 PRESSURE: 767400 -86.9832 -7.38134 -150.471 -7.38257 -484.191 -0.916625 -150.471 -0.917236 -99.2599 GPRESSURE: 767400 -92.7057 -78.5367 -116.835 76.6398 -405.729 -31.949 -177.982 3.93221 -83.2239 PRESSAVG: 767400 -8.80367 -33.6835 -3.91525 -33.6834 -22.4093 20.0632 -3.91518 20.0631 36.8491 GPRESSAVG: 767400 -10.0046 -33.0071 -4.96703 -34.445 -22.1102 22.4008 -1.22129 18.6259 37.3074 TIMING: 767400 CPU: 2274.24, 0.0029795/step Wall: 2274.24, 0.0029795/step, 3.50307 hours remaining, 205.425781 MB of memory in use. ENERGY: 767400 783.6069 2142.6755 1967.2373 102.0939 -205994.4742 17594.8338 0.0000 0.0000 34151.3255 -149252.7013 298.2520 -183404.0268 -149154.6802 298.8894 -223.4782 -193.8863 557629.2719 1.8787 1.7309 PRESSURE: 767600 -341.036 10.1882 138.325 10.1891 -171.263 111.256 138.325 111.257 -42.3502 GPRESSURE: 767600 -231.293 55.2334 166.55 7.06183 -145.133 57.137 122.041 120.896 -70.9905 PRESSAVG: 767600 -40.4312 53.1577 -9.19717 53.1578 1.71792 -7.37795 -9.19723 -7.37804 45.0709 GPRESSAVG: 767600 -39.8623 52.7588 -8.39471 53.5661 1.10854 -6.52455 -11.3962 -6.06738 44.5857 TIMING: 767600 CPU: 2274.84, 0.00297701/step Wall: 2274.84, 0.00297701/step, 3.49998 hours remaining, 205.425781 MB of memory in use. ENERGY: 767600 739.9786 2171.3809 1944.5032 118.6216 -205792.0509 17440.7489 0.0000 0.0000 34302.6104 -149074.2074 299.5732 -183376.8177 -148972.8492 299.3731 -184.8829 -149.1391 557553.7440 2.1192 1.9439 PRESSURE: 767800 -127.381 -1.16236 74.8381 -1.16348 -223.112 -95.2023 74.8384 -95.204 86.7295 GPRESSURE: 767800 -120.167 30.7785 120.714 82.7983 -185.196 -63.5886 43.1555 -132.843 139.582 PRESSAVG: 767800 -68.4873 23.4558 64.8497 23.4558 30.3164 -29.1234 64.8497 -29.1234 31.7164 GPRESSAVG: 767800 -68.8917 23.5019 64.2681 22.7947 30.1817 -29.7836 63.7389 -29.339 31.7785 TIMING: 767800 CPU: 2275.43, 0.00298603/step Wall: 2275.43, 0.00298603/step, 3.51041 hours remaining, 205.425781 MB of memory in use. ENERGY: 767800 750.2942 2103.3304 1898.4267 126.6511 -205994.5056 17782.6659 0.0000 0.0000 34245.6705 -149087.4667 299.0760 -183333.1373 -148987.9532 299.2803 -87.9211 -55.2604 558557.0436 -2.1515 -2.3105 PRESSURE: 768000 189.63 -153.929 -53.106 -153.93 22.4405 136.261 -53.1058 136.261 -75.4974 GPRESSURE: 768000 196.791 -130.5 -14.1811 -173.666 32.232 145.094 31.0072 123.068 0.658446 PRESSAVG: 768000 -50.8299 21.8132 7.28788 21.8131 76.5217 28.3183 7.28791 28.3184 -19.2128 GPRESSAVG: 768000 -50.5208 21.3326 8.40511 22.7033 76.1494 27.5292 10.1748 28.4178 -19.3557 TIMING: 768000 CPU: 2276.03, 0.00298368/step Wall: 2276.03, 0.00298368/step, 3.50748 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: 768000 739.8350 2054.6789 1962.1862 111.0065 -205967.7328 17790.7350 0.0000 0.0000 34274.3574 -149034.9340 299.3265 -183309.2913 -148940.6165 299.6592 45.5244 76.5607 558157.3417 2.1597 2.0910 PRESSURE: 768200 -146.051 -139.346 51.8176 -139.346 -164.751 169.422 51.8185 169.423 -45.7441 GPRESSURE: 768200 -125.125 -185.825 141.195 -62.9669 -178.199 120.397 9.26362 190.872 29.5483 PRESSAVG: 768200 -46.9149 -50.3267 28.4312 -50.3267 -10.9498 23.4873 28.4312 23.4873 5.3488 GPRESSAVG: 768200 -47.4735 -49.6538 29.3132 -51.9033 -11.4861 23.9556 25.9137 21.9737 5.89811 TIMING: 768200 CPU: 2276.62, 0.0029737/step Wall: 2276.62, 0.0029737/step, 3.49558 hours remaining, 205.425781 MB of memory in use. ENERGY: 768200 749.5365 2111.2049 1954.2791 109.3133 -206168.8522 17750.1788 0.0000 0.0000 34229.9795 -149264.3602 298.9389 -183494.3396 -149165.7541 299.6779 -118.8490 -91.2586 557240.3801 -17.5053 -17.6872 LDB: ============= START OF LOAD BALANCING ============== 2280.05 LDB: ============== END OF LOAD BALANCING =============== 2280.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2280.05 LDB: ============= START OF LOAD BALANCING ============== 2280.35 LDB: Largest compute 4820 load 0.032372 is 27.5% of average load 0.117781 LDB: Average compute 0.001726 is 1.5% of average load 0.117781 LDB: TIME 2280.35 LOAD: AVG 0.117781 MAX 0.197071 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.449 MB LDB: TIME 2280.36 LOAD: AVG 0.117781 MAX 0.197071 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: TIME 2280.36 LOAD: AVG 0.117781 MAX 0.197071 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.449 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2280.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2280.36 PRESSURE: 768400 -50.3718 99.6761 -141.44 99.677 190.231 170.915 -141.441 170.915 135.634 GPRESSURE: 768400 -58.0817 81.0304 -198.816 73.3537 183.924 149.283 -81.1742 125.422 239.478 PRESSAVG: 768400 -9.23051 29.7954 19.5007 29.7953 58.161 14.8604 19.5007 14.8603 17.1053 GPRESSAVG: 768400 -9.26335 29.3452 17.8386 30.2671 58.4328 14.8972 19.4926 14.6251 17.0766 TIMING: 768400 CPU: 2277.23, 0.00303647/step Wall: 2277.23, 0.00303647/step, 3.56921 hours remaining, 205.937500 MB of memory in use. ENERGY: 768400 724.3284 2140.7372 1924.0737 104.3095 -206329.8277 17997.9104 0.0000 0.0000 34189.7111 -149248.7575 298.5873 -183438.4686 -149152.0317 298.9031 91.8311 121.7733 558363.8176 22.0119 22.0820 PRESSURE: 768600 18.6613 78.2366 24.3719 78.236 40.1758 -117.007 24.3733 -117.006 -5.9048 GPRESSURE: 768600 38.4181 76.7208 22.9169 124.586 17.6071 -71.4953 9.07797 -74.2205 91.5027 PRESSAVG: 768600 23.0492 32.5164 -33.5949 32.5165 29.4876 21.6703 -33.595 21.6702 -65.8179 GPRESSAVG: 768600 24.5043 32.5783 -33.9525 31.7526 28.7486 19.4263 -32.3312 24.2637 -66.5699 TIMING: 768600 CPU: 2277.82, 0.00295872/step Wall: 2277.82, 0.00295872/step, 3.47764 hours remaining, 205.937500 MB of memory in use. ENERGY: 768600 763.2681 2100.5781 1933.6957 121.7342 -205904.0804 17856.4401 0.0000 0.0000 34046.5014 -149081.8628 297.3366 -183128.3643 -148990.0917 298.7033 17.6441 49.1760 558916.3866 -4.4270 -4.4390 PRESSURE: 768800 -43.8458 -50.7799 -0.509857 -50.7809 89.025 -160.614 -0.509918 -160.617 -234.603 GPRESSURE: 768800 -17.4068 -82.6198 39.6764 -48.0823 92.9043 -229.154 18.1102 -161.134 -166.226 PRESSAVG: 768800 -23.583 20.3096 -47.3045 20.3096 9.44698 3.31255 -47.3045 3.31257 32.0725 GPRESSAVG: 768800 -24.9967 20.7433 -45.0968 19.7771 10.6306 6.59757 -48.6125 1.08851 32.2913 TIMING: 768800 CPU: 2278.41, 0.00293752/step Wall: 2278.41, 0.00293752/step, 3.45257 hours remaining, 205.937500 MB of memory in use. ENERGY: 768800 738.7855 2111.9423 1967.8611 114.6924 -205792.9876 17745.6377 0.0000 0.0000 34062.1724 -149051.8961 297.4734 -183114.0685 -148950.7002 299.4842 -63.1414 -30.2429 558169.0164 5.9788 5.9751 PRESSURE: 769000 -46.1505 65.85 26.2562 65.8505 -110.286 -28.0316 26.2571 -28.0304 89.1396 GPRESSURE: 769000 -77.1609 22.9654 78.7399 82.9929 -54.3064 -72.884 20.4949 43.327 163.38 PRESSAVG: 769000 -54.7283 11.8531 0.252652 11.8532 23.4461 -59.558 0.252651 -59.558 24.9646 GPRESSAVG: 769000 -54.8326 10.1226 -1.17648 13.0549 22.8253 -62.5237 0.0560761 -57.8533 25.7944 TIMING: 769000 CPU: 2279, 0.00294686/step Wall: 2279, 0.00294686/step, 3.46338 hours remaining, 205.937500 MB of memory in use. ENERGY: 769000 742.1785 2078.2895 1950.3173 110.0041 -205834.8149 17621.7216 0.0000 0.0000 34357.6562 -148974.6477 300.0540 -183332.3039 -148880.2247 299.5461 -22.4325 10.6377 557660.0393 -2.1059 -2.0710 PRESSURE: 769200 144.234 3.12138 -53.1897 3.12194 55.9839 -69.4898 -53.1882 -69.4896 -191.035 GPRESSURE: 769200 196.029 -16.4199 -36.6959 -18.6922 79.2879 46.816 -79.69 -119.79 -177.386 PRESSAVG: 769200 40.6708 32.6076 -16.0392 32.6076 -6.59427 -35.5545 -16.0392 -35.5545 16.9648 GPRESSAVG: 769200 40.8643 32.7453 -15.3261 33.185 -7.14941 -33.4789 -14.7012 -36.4114 16.869 TIMING: 769200 CPU: 2279.59, 0.00297119/step Wall: 2279.59, 0.00297119/step, 3.49181 hours remaining, 205.937500 MB of memory in use. ENERGY: 769200 749.5659 2089.0807 1952.5286 117.1272 -206121.6045 17855.5476 0.0000 0.0000 34357.4105 -149000.3440 300.0518 -183357.7545 -148904.5521 299.9091 3.0610 32.6435 558139.9686 17.0138 16.8613 PRESSURE: 769400 29.8382 40.5334 -63.5553 40.5327 -60.5787 34.4753 -63.5553 34.4761 -255.342 GPRESSURE: 769400 48.0997 28.872 -42.461 24.1766 3.23487 12.467 -58.8179 42.0537 -231.2 PRESSAVG: 769400 27.405 35.6406 -26.5272 35.6407 -6.48876 -32.8257 -26.5272 -32.8256 -34.7231 GPRESSAVG: 769400 28.4661 36.3251 -26.1936 35.2006 -6.47504 -33.203 -25.9243 -34.5445 -35.9709 TIMING: 769400 CPU: 2280.19, 0.00297781/step Wall: 2280.19, 0.00297781/step, 3.49942 hours remaining, 205.937500 MB of memory in use. ENERGY: 769400 712.1581 2098.3440 1946.4739 125.6791 -205520.4439 17534.5513 0.0000 0.0000 34180.3707 -148922.8667 298.5057 -183103.2374 -148831.9990 300.2055 -95.3607 -59.9552 558878.2799 -4.6023 -4.6599 PRESSURE: 769600 -100.234 50.5642 16.0703 50.5633 -135.483 -213.341 16.0702 -213.343 327.048 GPRESSURE: 769600 -68.6937 77.1396 13.6314 16.9746 -119.499 -176.328 -65.6749 -263.38 371.888 PRESSAVG: 769600 57.4851 4.64522 42.2588 4.64525 51.8954 8.68151 42.2588 8.6815 -49.387 GPRESSAVG: 769600 57.2541 4.01148 38.6642 4.0607 50.891 9.81499 42.6718 8.36592 -48.0707 TIMING: 769600 CPU: 2280.79, 0.00298156/step Wall: 2280.79, 0.00298156/step, 3.50367 hours remaining, 205.937500 MB of memory in use. ENERGY: 769600 727.3309 2094.0831 1960.5766 120.3934 -206343.7735 17842.7745 0.0000 0.0000 34512.7092 -149085.9058 301.4081 -183598.6150 -148990.6188 300.4159 30.4441 61.2316 557858.2793 19.9979 20.0248 PRESSURE: 769800 203.637 42.2875 -1.9296 42.288 72.4431 -6.55644 -1.92787 -6.55607 10.6913 GPRESSURE: 769800 224.204 40.3242 7.9054 79.1079 98.5956 -56.0902 -20.2071 -45.2735 63.7537 PRESSAVG: 769800 38.0599 -29.9308 6.91314 -29.9308 -81.9617 -19.5447 6.91316 -19.5447 6.53645 GPRESSAVG: 769800 37.4513 -30.7632 10.6036 -27.5833 -81.195 -21.1154 5.04469 -17.6686 6.83759 TIMING: 769800 CPU: 2281.38, 0.00298442/step Wall: 2281.38, 0.00298442/step, 3.50685 hours remaining, 205.937500 MB of memory in use. ENERGY: 769800 736.0943 2095.2916 1935.7710 111.1356 -206536.9707 18167.8487 0.0000 0.0000 34355.7777 -149135.0518 300.0376 -183490.8295 -149043.4720 299.6364 95.5904 128.8512 558240.8979 -12.4551 -12.3020 PRESSURE: 770000 -223.002 23.9777 -72.8438 23.9772 60.359 -104.364 -72.8436 -104.365 -184.821 GPRESSURE: 770000 -104.949 99.0312 24.706 12.0603 51.8865 -31.172 -253.284 -163.628 -189.823 PRESSAVG: 770000 25.011 10.8764 -69.9969 10.8764 -76.5726 -14.8587 -69.997 -14.8587 28.5216 GPRESSAVG: 770000 26.7234 13.5752 -68.2107 8.16583 -76.3727 -14.8034 -71.3664 -15.4502 26.3474 TIMING: 770000 CPU: 2281.98, 0.00296363/step Wall: 2281.98, 0.00296363/step, 3.48227 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: 770000 781.0187 2077.7007 1931.2196 112.6761 -206264.5850 17748.3875 0.0000 0.0000 34407.0449 -149206.5375 300.4853 -183613.5824 -149109.9920 299.9649 -115.8212 -80.9617 557006.8572 -7.6800 -7.7673 PRESSURE: 770200 170.676 -34.4964 -114.226 -34.4972 -20.371 -131.099 -114.224 -131.099 -33.183 GPRESSURE: 770200 240.213 31.7792 -78.1636 -56.1733 13.7314 -143.061 -95.4589 -135.447 -37.4039 PRESSAVG: 770200 17.8029 4.16394 33.5879 4.16395 -51.4503 -55.424 33.5879 -55.4241 19.3724 GPRESSAVG: 770200 17.2259 3.13485 31.2217 5.19493 -50.4901 -56.0011 35.4726 -55.7876 19.1626 TIMING: 770200 CPU: 2282.57, 0.00298169/step Wall: 2282.57, 0.00298169/step, 3.50332 hours remaining, 205.937500 MB of memory in use. ENERGY: 770200 744.4111 2052.9172 1915.1461 119.9282 -206081.6994 17877.1933 0.0000 0.0000 34108.6042 -149263.4993 297.8789 -183372.1035 -149162.5093 299.6194 39.0408 72.1803 556836.3986 -4.7583 -4.7005 PRESSURE: 770400 26.731 -85.9873 25.681 -85.9872 -128.458 53.7239 25.6799 53.7248 -80.6037 GPRESSURE: 770400 50.4882 -121.366 -39.898 -85.5363 -104.368 120.361 59.2874 16.4481 -35.4497 PRESSAVG: 770400 9.63212 -7.23608 3.66725 -7.23613 -2.07298 8.71477 3.66729 8.71485 -17.4966 GPRESSAVG: 770400 7.60045 -5.38309 2.6669 -7.59624 -2.69452 9.81034 3.13355 8.59671 -14.6432 TIMING: 770400 CPU: 2283.17, 0.00298374/step Wall: 2283.17, 0.00298374/step, 3.50556 hours remaining, 205.937500 MB of memory in use. ENERGY: 770400 732.7556 2071.2698 1944.6427 108.9353 -206364.3003 17838.1427 0.0000 0.0000 34269.5230 -149399.0311 299.2843 -183668.5541 -149297.1794 299.0618 -60.7767 -29.7767 555850.3293 -3.3125 -3.2457 PRESSURE: 770600 24.4761 67.555 -41.8338 67.5545 -206.156 37.925 -41.835 37.9237 -43.7947 GPRESSURE: 770600 35.3893 97.3507 -6.37543 -8.88581 -107.632 63.5972 53.4726 -41.4021 -44.3678 PRESSAVG: 770600 -22.5019 -36.3015 72.8347 -36.3016 -14.2582 -2.01455 72.8348 -2.01456 30.4527 GPRESSAVG: 770600 -21.2145 -36.8912 71.3203 -37.3807 -13.1253 -1.29979 74.369 -1.33902 28.3103 TIMING: 770600 CPU: 2283.76, 0.00297205/step Wall: 2283.76, 0.00297205/step, 3.49166 hours remaining, 205.937500 MB of memory in use. ENERGY: 770600 752.6798 2099.4462 1947.4344 105.5801 -205918.3199 17561.9307 0.0000 0.0000 34333.7686 -149117.4801 299.8453 -183451.2488 -149019.4444 299.5922 -75.1582 -38.8700 557089.8648 -2.1024 -2.0099 PRESSURE: 770800 91.945 182.628 88.1945 182.629 154.446 -106.86 88.1938 -106.859 -16.5854 GPRESSURE: 770800 134.086 127.605 103.499 206.121 181.885 -82.1496 108.239 -110.802 13.8766 PRESSAVG: 770800 35.2853 15.3947 50.3389 15.3947 -55.6037 5.00786 50.339 5.00792 -5.42516 GPRESSAVG: 770800 36.2044 16.6701 50.8834 14.85 -56.6754 5.11191 48.349 6.09398 -4.66286 TIMING: 770800 CPU: 2284.36, 0.00298007/step Wall: 2284.36, 0.00298007/step, 3.50092 hours remaining, 205.937500 MB of memory in use. ENERGY: 770800 730.6443 2055.6998 1979.3205 119.2121 -206432.5277 17869.2077 0.0000 0.0000 34330.7733 -149347.6701 299.8192 -183678.4433 -149247.9885 299.6902 76.6017 109.9492 556220.2295 -8.5812 -8.3780 PRESSURE: 771000 -27.648 -69.2506 -82.441 -69.2511 50.1536 106.915 -82.4417 106.915 -165.751 GPRESSURE: 771000 -21.8954 -29.1929 -58.2696 -85.4461 111.633 227.325 -78.974 81.9347 -135.664 PRESSAVG: 771000 -28.3306 10.5151 -11.7646 10.515 12.811 16.3397 -11.7645 16.3399 95.1491 GPRESSAVG: 771000 -28.739 8.72467 -10.4907 13.84 13.0253 17.5848 -9.56326 15.3862 95.0513 TIMING: 771000 CPU: 2284.96, 0.0030082/step Wall: 2284.96, 0.0030082/step, 3.5338 hours remaining, 205.937500 MB of memory in use. ENERGY: 771000 749.4788 2098.7012 1954.6550 121.0006 -206585.2438 17910.3359 0.0000 0.0000 34526.0452 -149225.0270 301.5245 -183751.0722 -149131.0695 299.0921 -47.7484 -15.3087 555967.4698 26.5432 26.4459 PRESSURE: 771200 11.3448 90.4154 46.2651 90.4155 -66.3513 17.3548 46.2665 17.3551 193.259 GPRESSURE: 771200 73.1979 30.3955 110.604 93.541 -8.54593 9.9466 -4.71361 -74.3761 166.014 PRESSAVG: 771200 -44.6731 25.3339 -64.2444 25.3338 11.3845 -2.68629 -64.2443 -2.68639 46.8014 GPRESSAVG: 771200 -45.5928 24.1088 -64.3293 24.6602 11.9713 -4.20405 -65.4305 -2.98175 46.5431 TIMING: 771200 CPU: 2285.56, 0.00299132/step Wall: 2285.56, 0.00299132/step, 3.5138 hours remaining, 205.937500 MB of memory in use. ENERGY: 771200 715.1466 2088.0402 1921.5493 109.0109 -205885.4903 17662.4879 0.0000 0.0000 34247.3233 -149141.9320 299.0904 -183389.2553 -149050.1260 299.3965 46.0843 76.8888 557236.4718 4.5043 4.3072 PRESSURE: 771400 64.6526 25.4353 70.2978 25.4346 101.963 166.399 70.2999 166.4 -61.7181 GPRESSURE: 771400 95.398 62.1937 11.1163 58.6212 98.1251 101.044 91.146 200.789 6.71695 PRESSAVG: 771400 -15.3648 23.3831 -0.563409 23.383 -52.289 25.4502 -0.563517 25.4501 6.46739 GPRESSAVG: 771400 -14.8082 23.4575 -0.673336 24.1499 -52.9554 25.229 -0.222684 26.2717 6.10484 TIMING: 771400 CPU: 2286.15, 0.00297735/step Wall: 2286.15, 0.00297735/step, 3.49723 hours remaining, 205.937500 MB of memory in use. ENERGY: 771400 713.8040 2091.7716 1961.8065 121.5206 -206081.8389 17776.2508 0.0000 0.0000 34316.1041 -149100.5813 299.6911 -183416.6854 -149005.4540 299.4860 34.9658 66.7467 556866.0098 -20.3955 -20.5529 PRESSURE: 771600 -126.828 131.403 -6.35537 131.401 64.0625 128.722 -6.35638 128.723 -234.485 GPRESSURE: 771600 -122.249 276.218 -2.25825 150.013 56.1995 6.3322 -55.4592 136.248 -137.786 PRESSAVG: 771600 12.3589 27.7334 10.4446 27.7333 -6.08449 -10.3833 10.4445 -10.3833 -20.735 GPRESSAVG: 771600 12.2209 28.8798 10.563 26.6983 -7.18772 -9.88797 11.2943 -11.4134 -19.4681 TIMING: 771600 CPU: 2286.75, 0.00297389/step Wall: 2286.75, 0.00297389/step, 3.493 hours remaining, 205.937500 MB of memory in use. ENERGY: 771600 766.6556 2067.0163 1980.9693 110.8929 -206279.7834 17729.1566 0.0000 0.0000 34436.9341 -149188.1585 300.7463 -183625.0926 -149088.4574 299.4989 -99.0836 -67.9452 557519.4921 -4.8202 -4.8117 PRESSURE: 771800 5.51126 63.5401 21.2065 63.5406 40.4727 114.342 21.2055 114.341 274.671 GPRESSURE: 771800 86.4748 73.4881 -29.8908 18.7207 134.758 119.699 49.3546 108.862 204.352 PRESSAVG: 771800 -8.02153 -12.3532 6.90223 -12.3531 -28.8576 -34.1882 6.90217 -34.1881 32.9664 GPRESSAVG: 771800 -7.06822 -13.3581 5.92315 -10.9067 -28.2347 -34.3794 7.26604 -34.7989 31.3745 TIMING: 771800 CPU: 2287.34, 0.00295676/step Wall: 2287.34, 0.00295676/step, 3.47271 hours remaining, 205.937500 MB of memory in use. ENERGY: 771800 760.1340 2133.0689 1973.7049 108.0563 -206308.3612 18051.8342 0.0000 0.0000 34132.0752 -149149.4877 298.0839 -183281.5630 -149057.1421 299.1192 106.8850 141.8618 556728.4351 -1.3043 -1.3095 PRESSURE: 772000 -140.554 -66.2154 2.70678 -66.2155 83.1848 13.2212 2.7058 13.2201 -266.591 GPRESSURE: 772000 -70.2724 -55.1601 -2.95074 -63.9558 74.73 53.3825 5.48055 -8.13533 -221.165 PRESSAVG: 772000 -6.67266 11.5348 21.956 11.5349 -18.3695 20.5193 21.956 20.5194 22.6283 GPRESSAVG: 772000 -8.47211 11.4184 23.1182 11.3148 -18.3516 19.984 22.0413 20.7567 24.3343 TIMING: 772000 CPU: 2287.94, 0.00297726/step Wall: 2287.94, 0.00297726/step, 3.49662 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: 772000 750.7425 2126.5275 1939.4680 107.1759 -205762.3523 17525.6212 0.0000 0.0000 34033.2756 -149279.5416 297.2211 -183312.8171 -149186.3190 299.2881 -107.9867 -72.2360 557871.9649 -0.8046 -0.8298 PRESSURE: 772200 -310.785 49.8991 -76.298 49.8988 4.09506 -84.1393 -76.2982 -84.1388 -366.843 GPRESSURE: 772200 -269.982 54.5492 -94.5003 35.7265 -5.17527 -109.357 -132.624 -160.808 -297.199 PRESSAVG: 772200 20.176 39.1253 12.6108 39.1252 1.67722 -21.2201 12.6107 -21.22 -23.6569 GPRESSAVG: 772200 20.818 38.8765 11.95 37.8651 1.71604 -21.2843 10.511 -21.6462 -24.2298 TIMING: 772200 CPU: 2288.53, 0.00294867/step Wall: 2288.53, 0.00294867/step, 3.46288 hours remaining, 205.937500 MB of memory in use. ENERGY: 772200 723.7161 2090.1409 1948.4086 108.4362 -205681.2626 17335.1691 0.0000 0.0000 34222.7131 -149252.6786 298.8755 -183475.3916 -149154.3061 299.6266 -224.5112 -190.7854 558199.9592 -0.6012 -0.5653 LDB: ============= START OF LOAD BALANCING ============== 2291.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2291.95 LDB: =============== DONE WITH MIGRATION ================ 2291.95 LDB: ============= START OF LOAD BALANCING ============== 2292.25 LDB: Largest compute 4820 load 0.031333 is 26.6% of average load 0.117791 LDB: Average compute 0.001728 is 1.5% of average load 0.117791 LDB: TIME 2292.26 LOAD: AVG 0.117791 MAX 0.198673 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 2292.26 LOAD: AVG 0.117791 MAX 0.198673 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 2292.26 LOAD: AVG 0.117791 MAX 0.198673 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: ============== END OF LOAD BALANCING =============== 2292.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2292.26 PRESSURE: 772400 186.83 3.45182 -77.5661 3.45327 -42.3951 134.113 -77.5658 134.111 -120.066 GPRESSURE: 772400 150.487 -3.14347 -103.182 -94.2955 18.2004 136.763 -68.2387 43.9474 -44.2552 PRESSAVG: 772400 -52.9894 -21.8373 21.1372 -21.8374 12.1044 37.7894 21.1372 37.7895 48.8929 GPRESSAVG: 772400 -53.9494 -19.935 21.363 -22.5879 12.5757 37.7901 22.8427 39.0616 49.7285 TIMING: 772400 CPU: 2289.13, 0.00303237/step Wall: 2289.13, 0.00303237/step, 3.56102 hours remaining, 206.960938 MB of memory in use. ENERGY: 772400 713.8528 2125.6344 1967.9378 108.0248 -206328.9824 17770.5853 0.0000 0.0000 34193.8662 -149449.0812 298.6235 -183642.9474 -149355.4331 298.5583 8.1229 41.4776 556130.5010 2.6693 2.7849 PRESSURE: 772600 208.047 75.6539 171.236 75.6545 22.1308 -56.4822 171.236 -56.4828 62.4303 GPRESSURE: 772600 219.677 -29.9344 132.803 135.495 41.5565 -108.001 150.153 -63.9417 116.881 PRESSAVG: 772600 5.29194 -12.9341 24.9947 -12.9341 -6.01711 -41.7216 24.9947 -41.7215 -46.8808 GPRESSAVG: 772600 5.59163 -14.9055 26.5931 -12.3747 -7.37392 -40.3978 21.532 -43.8064 -45.8237 TIMING: 772600 CPU: 2289.73, 0.00297369/step Wall: 2289.73, 0.00297369/step, 3.49194 hours remaining, 206.960938 MB of memory in use. ENERGY: 772600 762.9762 2075.2757 1945.9837 109.9408 -206560.8514 17910.3542 0.0000 0.0000 34226.3267 -149529.9941 298.9070 -183756.3208 -149437.0584 298.2247 97.5360 126.0381 556480.6539 -15.8687 -15.8687 PRESSURE: 772800 -268.518 -11.6251 89.3224 -11.6265 -75.7188 23.6554 89.3228 23.6559 2.50819 GPRESSURE: 772800 -211.468 -24.3509 116.045 11.6608 -80.9223 -48.4908 75.3985 17.3698 44.012 PRESSAVG: 772800 32.3118 20.7115 -19.3086 20.7114 -34.3786 3.79597 -19.3085 3.796 28.908 GPRESSAVG: 772800 33.1725 21.0077 -19.857 21.4625 -34.0828 1.8077 -16.7089 5.67606 28.0651 TIMING: 772800 CPU: 2290.32, 0.0029657/step Wall: 2290.32, 0.0029657/step, 3.48239 hours remaining, 206.960938 MB of memory in use. ENERGY: 772800 760.1891 2121.7868 1972.6156 120.0003 -206195.5788 17705.7655 0.0000 0.0000 33817.0494 -149698.1721 295.3327 -183515.2214 -149598.4713 297.8820 -113.9095 -82.7928 556663.4587 8.9471 9.0516 PRESSURE: 773000 -260.432 -2.98096 -77.3331 -2.98078 -308.308 91.9283 -77.3346 91.9275 -89.8534 GPRESSURE: 773000 -172.67 -81.5683 -25.0026 50.7801 -301.145 43.0348 -99.1251 86.279 -90.19 PRESSAVG: 773000 -4.76302 12.5186 -4.89275 12.5186 16.6406 13.2061 -4.89274 13.2061 -29.5058 GPRESSAVG: 773000 -4.87889 14.2947 -4.87985 11.3863 17.7839 13.2357 -3.9299 12.4855 -30.5364 TIMING: 773000 CPU: 2290.91, 0.00296979/step Wall: 2290.91, 0.00296979/step, 3.48703 hours remaining, 206.960938 MB of memory in use. ENERGY: 773000 746.6142 2127.2227 1955.0735 106.2628 -206133.7398 17480.1788 0.0000 0.0000 34195.8627 -149522.5251 298.6410 -183718.3878 -149422.1814 298.1607 -219.5310 -188.0016 557722.9357 -5.8761 -5.8771 PRESSURE: 773200 -173.04 68.4484 100.364 68.4481 41.5859 -60.0739 100.364 -60.0749 52.8266 GPRESSURE: 773200 -62.3808 85.8032 100.077 71.3408 76.8887 -72.0303 109.548 -69.312 20.3944 PRESSAVG: 773200 -46.6935 -3.8612 -61.0237 -3.8612 33.4211 8.85809 -61.0236 8.85806 -38.3034 GPRESSAVG: 773200 -46.4678 -5.71868 -60.7102 -3.45029 32.3139 10.3958 -62.883 8.76172 -37.9235 TIMING: 773200 CPU: 2291.52, 0.003009/step Wall: 2291.52, 0.003009/step, 3.5329 hours remaining, 206.960938 MB of memory in use. ENERGY: 773200 731.2762 2095.0808 1965.7146 106.6653 -206574.9728 17908.1746 0.0000 0.0000 34226.9352 -149541.1262 298.9123 -183768.0614 -149443.7889 298.3460 -26.2090 11.6341 556694.2956 -17.1919 -17.3591 PRESSURE: 773400 -31.8372 56.7828 55.2731 56.7836 377.382 22.064 55.2727 22.0642 112.947 GPRESSURE: 773400 38.4063 72.3237 85.9122 -80.4148 374.53 54.1978 37.6373 -20.0235 136.112 PRESSAVG: 773400 -3.00562 -11.7289 -5.77663 -11.7289 30.6726 -33.5782 -5.77673 -33.5783 20.7773 GPRESSAVG: 773400 -3.16374 -11.7063 -7.98659 -12.7444 31.2518 -34.3048 -5.10951 -33.3033 20.1638 TIMING: 773400 CPU: 2292.11, 0.00299127/step Wall: 2292.11, 0.00299127/step, 3.51191 hours remaining, 206.960938 MB of memory in use. ENERGY: 773400 760.8260 2098.7322 1943.2012 108.8911 -206765.0121 18182.9514 0.0000 0.0000 34103.6258 -149566.7844 297.8354 -183670.4102 -149464.9164 298.2477 152.8305 183.0163 555651.4969 16.1481 16.0839 PRESSURE: 773600 292.56 188.644 -15.9714 188.643 209.744 -206.252 -15.9709 -206.252 216.188 GPRESSURE: 773600 303.671 204.379 36.835 133.91 250.471 -211.213 -109.909 -181.201 259.65 PRESSAVG: 773600 -13.1016 -13.2595 -13.7621 -13.2595 28.8336 -70.584 -13.7621 -70.584 -2.03545 GPRESSAVG: 773600 -14.2625 -13.9225 -13.639 -12.6838 28.4483 -69.9302 -12.6455 -70.9074 -0.914808 TIMING: 773600 CPU: 2292.71, 0.00299476/step Wall: 2292.71, 0.00299476/step, 3.51585 hours remaining, 206.960938 MB of memory in use. ENERGY: 773600 788.4384 2090.4107 1943.7727 97.7944 -206439.3897 18189.6335 0.0000 0.0000 33945.4983 -149383.8417 296.4545 -183329.3400 -149297.2927 298.3283 239.4974 271.2639 554428.8829 4.5655 4.4237 PRESSURE: 773800 -39.5807 92.823 19.1267 92.8237 141.247 -43.4393 19.1275 -43.4397 82.7731 GPRESSURE: 773800 32.6267 100.766 109.705 37.1644 157.797 -93.3887 23.8161 -47.0211 73.6554 PRESSAVG: 773800 29.0137 41.6977 -3.75751 41.6977 -57.6432 -1.99876 -3.75755 -1.99874 40.8648 GPRESSAVG: 773800 30.3802 42.3778 -1.44755 43.7001 -57.0864 -1.44212 -7.42936 -1.7461 39.4665 TIMING: 773800 CPU: 2293.31, 0.0030002/step Wall: 2293.31, 0.0030002/step, 3.52207 hours remaining, 206.960938 MB of memory in use. ENERGY: 773800 706.7069 2087.9320 1949.2873 108.7398 -206190.4278 17854.0361 0.0000 0.0000 34183.5027 -149300.2229 298.5330 -183483.7256 -149203.0161 298.4975 61.4799 88.0264 556064.8818 4.0784 4.2534 PRESSURE: 774000 -170.69 -97.6153 -43.619 -97.6144 -247.842 21.1269 -43.6192 21.1263 -164.237 GPRESSURE: 774000 -181.056 -87.0494 -152.316 -134.136 -153.971 -25.2133 53.3259 90.3878 -145.427 PRESSAVG: 774000 27.7514 74.5312 11.605 74.5312 16.2582 -9.61172 11.605 -9.61169 27.9624 GPRESSAVG: 774000 26.2871 75.244 9.94293 72.4602 16.2179 -11.4205 14.0092 -8.82804 29.775 TIMING: 774000 CPU: 2293.91, 0.00298378/step Wall: 2293.91, 0.00298378/step, 3.50262 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: 774000 763.3960 2146.3630 1969.9855 111.9185 -206280.9518 17594.3939 0.0000 0.0000 34573.8241 -149121.0708 301.9418 -183694.8949 -149019.8905 299.6551 -194.2564 -160.1514 555940.6103 23.9906 24.0933 PRESSURE: 774200 -91.9404 64.7048 -45.3963 64.7048 -356.641 -180.059 -45.3959 -180.06 82.5036 GPRESSURE: 774200 -62.8375 142.092 -59.0687 -15.8596 -276.687 -183.266 -85.4771 -165.989 76.1825 PRESSAVG: 774200 -22.7351 -17.368 -2.73783 -17.3679 32.624 -84.6644 -2.73775 -84.6645 -6.50807 GPRESSAVG: 774200 -21.8499 -17.6699 -0.329482 -16.0378 31.8063 -83.6919 -4.3104 -86.4268 -6.57899 TIMING: 774200 CPU: 2294.51, 0.00297779/step Wall: 2294.51, 0.00297779/step, 3.49543 hours remaining, 206.960938 MB of memory in use. ENERGY: 774200 746.3306 2111.8174 1952.3091 119.5455 -206051.4477 17676.0835 0.0000 0.0000 34089.6353 -149355.7263 297.7133 -183445.3616 -149256.2478 299.5651 -122.0259 -87.7808 555960.0685 1.1269 1.1258 PRESSURE: 774400 -95.8384 -52.5459 -27.3787 -52.5457 66.829 -14.1876 -27.3777 -14.1882 -124.079 GPRESSURE: 774400 -32.9784 -73.5259 10.5839 -16.6101 85.1605 -43.8927 -45.1534 31.9088 -110.041 PRESSAVG: 774400 -15.1614 -76.0039 21.5885 -76.0039 -12.8618 23.7613 21.5885 23.7613 26.5463 GPRESSAVG: 774400 -15.4291 -76.0963 18.5318 -76.6375 -13.0699 24.8376 24.4306 25.3117 27.2895 TIMING: 774400 CPU: 2295.1, 0.00297228/step Wall: 2295.1, 0.00297228/step, 3.4888 hours remaining, 206.960938 MB of memory in use. ENERGY: 774400 747.3158 2074.6924 1937.4409 111.0527 -206211.1352 17647.7701 0.0000 0.0000 34529.8524 -149163.0108 301.5578 -183692.8633 -149064.8550 300.0624 -51.0294 -19.2863 556275.7904 -0.4923 -0.4032 PRESSURE: 774600 -4.23511 -180.624 122.208 -180.623 100.725 -74.1528 122.207 -74.1548 -316.56 GPRESSURE: 774600 -18.5521 -149.194 173.165 -134.641 142.931 -66.098 166.417 -39.5882 -235.487 PRESSAVG: 774600 -15.9611 -70.1961 29.5061 -70.196 27.6493 -46.5437 29.506 -46.5437 -38.8768 GPRESSAVG: 774600 -15.5173 -70.5445 27.9573 -70.2666 27.8497 -49.2363 28.4583 -47.3598 -39.7276 TIMING: 774600 CPU: 2295.7, 0.00299603/step Wall: 2295.7, 0.00299603/step, 3.5165 hours remaining, 206.960938 MB of memory in use. ENERGY: 774600 733.4901 2086.4449 1956.6471 124.6700 -205978.6673 17569.5710 0.0000 0.0000 34429.8895 -149077.9547 300.6848 -183507.8442 -148974.7836 299.6430 -73.3568 -37.0361 557572.5090 -9.0629 -9.1318 PRESSURE: 774800 -38.7798 149.151 21.1843 149.151 65.7048 -41.4266 21.1836 -41.4274 -126.998 GPRESSURE: 774800 6.59499 115.339 -21.3603 123.819 93.1352 -31.1049 25.785 -96.6555 -113.546 PRESSAVG: 774800 -14.0763 17.4921 -6.86601 17.4921 21.4563 -16.6346 -6.86599 -16.6346 22.4577 GPRESSAVG: 774800 -13.5172 17.9272 -3.99544 18.3374 21.6311 -12.971 -8.06801 -18.171 21.786 TIMING: 774800 CPU: 2296.3, 0.00300796/step Wall: 2296.3, 0.00300796/step, 3.53035 hours remaining, 206.960938 MB of memory in use. ENERGY: 774800 723.8352 2099.2349 1955.8831 111.2839 -205859.8441 17746.4467 0.0000 0.0000 34219.9315 -149003.2289 298.8512 -183223.1604 -148914.0735 300.1113 -33.3575 -4.6052 557733.3183 9.9459 9.9666 PRESSURE: 775000 49.1208 -64.0477 -194.165 -64.0482 74.9983 -193.305 -194.165 -193.306 32.3762 GPRESSURE: 775000 85.5513 -79.8069 -172.006 -170.931 68.1219 -190.261 -166.331 -156.921 79.9055 PRESSAVG: 775000 -43.2249 -45.5309 -55.4961 -45.5309 36.3572 -2.98552 -55.496 -2.9855 13.0673 GPRESSAVG: 775000 -44.0317 -47.0894 -56.8604 -44.4925 36.3681 -6.05133 -54.2411 -2.65938 13.144 TIMING: 775000 CPU: 2296.9, 0.00301129/step Wall: 2296.9, 0.00301129/step, 3.53408 hours remaining, 206.960938 MB of memory in use. ENERGY: 775000 702.9920 2076.4693 1934.9282 90.3559 -206113.6300 17834.1647 0.0000 0.0000 34519.9033 -148954.8165 301.4709 -183474.7198 -148861.6039 299.8395 52.1651 77.8596 557055.1783 2.0665 1.8268 PRESSURE: 775200 -126.435 9.98075 19.6693 9.98063 190.099 111.789 19.6684 111.789 -93.0798 GPRESSURE: 775200 -87.1076 -20.7728 -27.4483 51.6642 215.778 123.501 101.549 72.5356 -68.0307 PRESSAVG: 775200 -27.8515 -14.1862 39.7905 -14.1861 40.5206 5.67274 39.7905 5.67273 -17.669 GPRESSAVG: 775200 -28.0275 -13.4915 40.7993 -14.4063 40.8895 6.25225 39.2166 7.02969 -17.9069 TIMING: 775200 CPU: 2297.5, 0.00300731/step Wall: 2297.5, 0.00300731/step, 3.52924 hours remaining, 206.960938 MB of memory in use. ENERGY: 775200 777.7022 2039.7379 1969.4881 110.3097 -206170.2116 17805.3448 0.0000 0.0000 34452.7753 -149014.8537 300.8847 -183467.6290 -148915.7654 300.1365 -9.8052 20.2132 558250.3749 -1.6667 -1.6816 PRESSURE: 775400 107.917 -138.509 25.4237 -138.509 156.638 134.915 25.4229 134.916 94.5756 GPRESSURE: 775400 173.821 -171.954 -17.5484 -159.063 170.409 179.91 70.3245 201.84 114.055 PRESSAVG: 775400 -33.0776 -3.00006 20.8634 -2.99997 32.6968 69.3324 20.8634 69.3322 -6.40028 GPRESSAVG: 775400 -31.9182 -3.69585 19.8172 -3.0682 30.7117 68.4727 22.1108 70.3207 -5.40298 TIMING: 775400 CPU: 2298.11, 0.00300482/step Wall: 2298.11, 0.00300483/step, 3.52616 hours remaining, 206.960938 MB of memory in use. ENERGY: 775400 713.1709 2052.3252 1957.9758 108.9516 -206332.1546 18009.6565 0.0000 0.0000 34337.0807 -149152.9937 299.8743 -183490.0745 -149059.0183 299.1007 119.7102 152.7612 557856.2483 -2.2603 -2.2032 PRESSURE: 775600 -6.18683 30.2354 24.9492 30.2364 -289.219 155.596 24.9497 155.596 -186.233 GPRESSURE: 775600 40.7165 34.6384 50.7143 35.0315 -234.813 190.804 -4.85605 86.57 -197.082 PRESSAVG: 775600 -6.08149 36.687 -13.2151 36.687 -28.8239 53.1638 -13.215 53.1638 12.8572 GPRESSAVG: 775600 -7.05647 37.3586 -11.5024 35.4515 -26.918 53.4771 -12.9077 51.3932 12.2092 TIMING: 775600 CPU: 2298.7, 0.0029897/step Wall: 2298.7, 0.0029897/step, 3.50825 hours remaining, 206.960938 MB of memory in use. ENERGY: 775600 722.3640 2027.1329 1964.6508 103.3434 -205735.4383 17602.4365 0.0000 0.0000 34149.8762 -149165.6345 298.2394 -183315.5107 -149068.5201 299.7328 -160.5463 -130.3927 558112.2736 -7.3494 -7.2551 PRESSURE: 775800 -148.672 -85.1145 -89.3747 -85.1141 12.1766 -107.188 -89.3738 -107.188 -217.629 GPRESSURE: 775800 -70.1556 -99.5928 -60.6177 -20.852 -48.0902 -153.422 -131.11 -104.553 -134.642 PRESSAVG: 775800 33.8868 -2.92019 68.8286 -2.92027 -79.7224 10.41 68.8286 10.41 -0.423541 GPRESSAVG: 775800 33.8649 -3.52027 68.0597 -1.6234 -80.0713 12.733 68.8308 11.647 -0.567079 TIMING: 775800 CPU: 2299.3, 0.00300402/step Wall: 2299.3, 0.00300402/step, 3.52489 hours remaining, 206.960938 MB of memory in use. ENERGY: 775800 785.9457 2086.5571 1976.3389 111.9090 -205719.0242 17505.1796 0.0000 0.0000 33982.0652 -149271.0287 296.7738 -183253.0939 -149178.8003 298.8079 -118.0414 -84.2961 557547.1476 -15.4197 -15.5912 PRESSURE: 776000 -110.847 -61.1133 83.8753 -61.1117 -137.565 -94.3011 83.8758 -94.3021 -16.1583 GPRESSURE: 776000 -117.07 -79.3566 36.7102 -20.8727 -58.9347 -110.821 72.2432 -155.688 7.11863 PRESSAVG: 776000 -29.7289 -2.00775 11.8303 -2.00776 -56.5826 -8.75714 11.8303 -8.7573 84.3802 GPRESSAVG: 776000 -31.0982 0.753758 10.7718 -1.87495 -56.3004 -10.3287 11.6469 -10.1739 85.2138 TIMING: 776000 CPU: 2299.91, 0.00300801/step Wall: 2299.91, 0.00300801/step, 3.5294 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: 776000 803.5292 2037.1258 1936.6017 117.8764 -206378.5005 17796.6420 0.0000 0.0000 34441.7807 -149244.9447 300.7886 -183686.7254 -149148.7698 298.9366 -88.1901 -56.2955 557260.4958 -0.6437 -0.7283 PRESSURE: 776200 200.009 -111.305 217.303 -111.304 230.372 -105.268 217.301 -105.267 71.4343 GPRESSURE: 776200 197.974 -48.9344 54.3114 -128.719 268.825 -165.543 316.462 -95.0343 131.906 PRESSAVG: 776200 -69.4103 22.0827 21.4639 22.0828 18.0136 -73.0242 21.4639 -73.0241 -24.7716 GPRESSAVG: 776200 -68.0275 20.5075 21.927 20.4803 16.4775 -74.7384 23.1525 -73.8956 -25.1521 TIMING: 776200 CPU: 2300.51, 0.00300958/step Wall: 2300.51, 0.00300958/step, 3.53107 hours remaining, 206.960938 MB of memory in use. ENERGY: 776200 753.1532 2076.0775 1962.8080 109.8764 -206582.6083 18061.2895 0.0000 0.0000 34343.8987 -149275.5051 299.9338 -183619.4037 -149178.5744 299.4737 167.2720 199.5684 556182.0229 -25.3894 -25.5674 LDB: ============= START OF LOAD BALANCING ============== 2303.94 LDB: ============== END OF LOAD BALANCING =============== 2303.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2303.94 LDB: ============= START OF LOAD BALANCING ============== 2304.24 LDB: Largest compute 4820 load 0.032936 is 27.9% of average load 0.117912 LDB: Average compute 0.001729 is 1.5% of average load 0.117912 LDB: TIME 2304.25 LOAD: AVG 0.117912 MAX 0.195965 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 2304.25 LOAD: AVG 0.117912 MAX 0.195965 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 2304.25 LOAD: AVG 0.117912 MAX 0.195965 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: ============== END OF LOAD BALANCING =============== 2304.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2304.25 PRESSURE: 776400 -71.7949 6.43025 -174.413 6.42959 229.01 187.157 -174.413 187.155 -194.995 GPRESSURE: 776400 -57.2682 12.5944 -179.523 13.0543 269.196 149.507 -184.165 207.438 -158.283 PRESSAVG: 776400 -31.5507 -24.5521 79.7509 -24.5521 37.8462 23.9381 79.751 23.938 -18.3555 GPRESSAVG: 776400 -32.8462 -24.7494 80.3142 -24.6744 39.3495 25.5959 76.0935 24.8537 -18.7394 TIMING: 776400 CPU: 2301.12, 0.00307661/step Wall: 2301.12, 0.00307661/step, 3.60955 hours remaining, 205.937500 MB of memory in use. ENERGY: 776400 773.0065 2073.1027 1995.2460 114.3841 -206008.6307 17792.5060 0.0000 0.0000 34179.2234 -149081.1620 298.4957 -183260.3854 -148979.1102 299.9171 -12.5932 17.8816 558292.8530 -4.0200 -4.0787 PRESSURE: 776600 -231.281 16.611 -215.967 16.6095 -75.6559 207.061 -215.967 207.061 -219.197 GPRESSURE: 776600 -153.129 20.6381 -214.365 -23.9241 -74.7773 144.624 -157.256 252.682 -196.074 PRESSAVG: 776600 16.2633 -35.7672 4.72457 -35.7672 57.0933 70.1006 4.72459 70.1007 -8.26827 GPRESSAVG: 776600 17.3207 -37.516 7.00694 -34.7216 56.1543 69.761 4.92994 70.0271 -8.71279 TIMING: 776600 CPU: 2301.72, 0.00298618/step Wall: 2301.72, 0.00298619/step, 3.50329 hours remaining, 205.937500 MB of memory in use. ENERGY: 776600 749.8512 2026.6335 1947.1925 114.3564 -205986.6051 17673.5054 0.0000 0.0000 34448.4289 -149026.6372 300.8467 -183475.0661 -148925.3072 300.2757 -175.3781 -141.3268 558770.1847 21.6961 21.5874 PRESSURE: 776800 198.883 -100.646 -202.906 -100.644 473.678 -21.3162 -202.907 -21.316 70.482 GPRESSURE: 776800 294.414 -37.5444 -212.164 -144.062 456.084 -8.33667 -201.751 -0.911083 94.7032 PRESSAVG: 776800 -6.39811 -40.1617 -28.3516 -40.1617 0.239453 5.86032 -28.3516 5.8603 -0.63268 GPRESSAVG: 776800 -6.25041 -37.6013 -31.912 -42.0891 0.964313 3.87133 -27.1523 5.2449 -0.926683 TIMING: 776800 CPU: 2302.32, 0.00299789/step Wall: 2302.32, 0.00299789/step, 3.51686 hours remaining, 205.937500 MB of memory in use. ENERGY: 776800 784.6454 2130.3544 1954.3288 121.2897 -206650.8954 18314.3058 0.0000 0.0000 34378.8785 -148967.0928 300.2393 -183345.9712 -148882.2423 299.2646 247.6812 281.7336 557518.3134 -2.2638 -2.0709 PRESSURE: 777000 -37.2586 -60.3368 105.143 -60.3369 65.1023 87.3682 105.143 87.3683 28.4998 GPRESSURE: 777000 13.2628 -56.0562 78.9919 -94.2994 83.1106 58.0948 148.504 59.8905 72.9875 PRESSAVG: 777000 -53.3697 -24.812 0.195789 -24.8119 67.6933 14.9605 0.195769 14.9605 4.96445 GPRESSAVG: 777000 -53.39 -25.7756 -0.639965 -21.7782 67.1958 16.5962 1.48234 17.3214 5.03624 TIMING: 777000 CPU: 2302.92, 0.00299099/step Wall: 2302.92, 0.00299099/step, 3.5086 hours remaining, 205.937500 MB of memory in use. ENERGY: 777000 759.3875 2069.0093 1969.7429 119.0906 -206018.4616 17818.6590 0.0000 0.0000 34249.9146 -149032.6578 299.1130 -183282.5724 -148934.1572 300.0046 18.7812 56.4536 556318.6481 6.4293 6.2807 PRESSURE: 777200 -131.698 262.02 126.411 262.019 -33.1084 -20.7803 126.41 -20.7812 -113.142 GPRESSURE: 777200 -117.325 165.238 96.6988 257.004 24.5147 -123.555 82.964 10.6009 -82.423 PRESSAVG: 777200 34.8491 -8.90112 2.58889 -8.90111 -17.6177 9.4313 2.58875 9.43142 -25.4134 GPRESSAVG: 777200 34.7485 -6.60438 5.08308 -9.51522 -17.2293 8.29517 2.17669 7.63358 -26.0332 TIMING: 777200 CPU: 2303.52, 0.00298458/step Wall: 2303.52, 0.00298458/step, 3.50091 hours remaining, 205.937500 MB of memory in use. ENERGY: 777200 773.9671 2088.0210 1945.2139 118.1079 -205830.4961 17707.7879 0.0000 0.0000 34242.0621 -148955.3361 299.0444 -183197.3983 -148864.8092 299.2879 -92.6494 -58.4109 558114.2362 -2.7273 -2.8380 PRESSURE: 777400 187.986 124.753 -116.096 124.753 156.372 -88.7344 -116.096 -88.7344 66.922 GPRESSURE: 777400 198.387 141.172 -107.309 94.6506 189.76 -38.677 -65.4145 -73.4184 112.952 PRESSAVG: 777400 -8.77681 -2.41784 23.3458 -2.41785 -37.9637 -39.3339 23.3459 -39.3339 18.6518 GPRESSAVG: 777400 -9.81819 -3.43401 22.1398 -2.44804 -36.5412 -38.26 21.8044 -38.8887 18.3641 TIMING: 777400 CPU: 2304.11, 0.0029831/step Wall: 2304.11, 0.00298311/step, 3.49902 hours remaining, 205.937500 MB of memory in use. ENERGY: 777400 759.9812 2149.5755 1922.4844 115.6192 -205853.2639 17781.3359 0.0000 0.0000 34260.3991 -148863.8685 299.2046 -183124.2676 -148761.5426 300.5411 137.0932 167.0331 556238.5195 -9.3629 -9.3317 PRESSURE: 777600 241.726 -93.5776 -36.9952 -93.5778 20.4706 -189.137 -36.9948 -189.137 133.994 GPRESSURE: 777600 235.673 -165.214 -101.535 -40.5148 69.9568 -31.596 -41.3943 -279.934 186.404 PRESSAVG: 777600 6.25047 -24.5206 5.22132 -24.5206 -30.7143 -30.6586 5.22131 -30.6587 -2.13589 GPRESSAVG: 777600 6.21502 -26.6711 4.89528 -23.2415 -31.2387 -31.8782 6.86605 -29.0766 -1.73995 TIMING: 777600 CPU: 2304.71, 0.00297668/step Wall: 2304.71, 0.00297668/step, 3.49131 hours remaining, 205.937500 MB of memory in use. ENERGY: 777600 730.2539 2093.4746 1952.2400 123.0548 -206104.1323 17874.2615 0.0000 0.0000 34243.2217 -149087.6258 299.0546 -183330.8475 -148993.9628 300.2996 132.0633 164.0113 557272.8032 -8.8666 -8.9212 PRESSURE: 777800 -97.6969 -13.4646 -112.58 -13.4633 114.893 -57.1176 -112.578 -57.1152 -23.0335 GPRESSURE: 777800 -40.1521 57.1231 -131.123 -82.4571 160.649 -18.2899 -135.458 -137.785 -20.4878 PRESSAVG: 777800 82.1253 16.952 -24.914 16.9519 6.17455 -32.6004 -24.914 -32.6003 -16.0897 GPRESSAVG: 777800 82.3765 17.7415 -23.4481 15.2028 6.67512 -31.7329 -25.3071 -34.3379 -17.23 TIMING: 777800 CPU: 2305.31, 0.00298861/step Wall: 2305.31, 0.00298861/step, 3.50515 hours remaining, 205.937500 MB of memory in use. ENERGY: 777800 772.5171 2040.9583 1953.8787 114.9358 -206588.3720 17989.7866 0.0000 0.0000 34307.7031 -149408.5925 299.6177 -183716.2956 -149314.4349 299.3484 -1.9457 33.3364 557206.3187 24.0701 23.9405 PRESSURE: 778000 70.5606 180.016 -103.694 180.017 247.281 -9.31246 -103.693 -9.31262 236.18 GPRESSURE: 778000 99.3538 152.833 -25.623 225.091 289.705 -34.3063 -135.65 -70.6476 259.633 PRESSAVG: 778000 7.40512 -4.04641 10.8978 -4.04648 24.7042 -18.0704 10.8977 -18.0705 -35.1123 GPRESSAVG: 778000 7.92214 -3.411 11.5686 -2.71265 23.4911 -19.2462 11.4161 -16.1073 -34.7537 TIMING: 778000 CPU: 2305.9, 0.00297729/step Wall: 2305.9, 0.00297729/step, 3.4917 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: 778000 740.1085 2150.1269 1938.1143 115.8190 -206905.0270 18235.5068 0.0000 0.0000 34254.4615 -149470.8900 299.1527 -183725.3515 -149379.0913 298.7703 184.6739 216.2306 555888.9392 -1.0010 -1.1135 PRESSURE: 778200 -73.0331 37.5671 34.2868 37.5672 -73.3525 30.9935 34.2862 30.9933 232.104 GPRESSURE: 778200 -39.1222 -66.3202 9.09214 52.0373 54.075 -19.4859 -18.0087 95.6783 164.621 PRESSAVG: 778200 18.7329 19.4625 21.9537 19.4625 -7.95124 -29.8802 21.9537 -29.8802 -9.45953 GPRESSAVG: 778200 17.3655 18.5059 19.0482 20.5538 -7.7608 -28.5115 22.4374 -31.9479 -8.65964 TIMING: 778200 CPU: 2306.5, 0.00297587/step Wall: 2306.5, 0.00297587/step, 3.48987 hours remaining, 205.937500 MB of memory in use. ENERGY: 778200 737.0961 2085.7914 1932.1092 118.9721 -206763.0859 17949.4647 0.0000 0.0000 34388.4897 -149551.1627 300.3232 -183939.6524 -149450.5254 298.6257 28.5727 59.8578 555670.5690 0.4407 0.3150 PRESSURE: 778400 -298.112 102.148 -51.8942 102.147 -204.486 44.8333 -51.8929 44.8354 -11.4015 GPRESSURE: 778400 -251.929 149.259 -161.192 47.7074 -171.365 2.84674 56.282 53.9829 7.52384 PRESSAVG: 778400 38.9593 13.5615 -15.7779 13.5615 -12.5553 -16.1908 -15.7778 -16.1907 -6.99551 GPRESSAVG: 778400 41.1189 12.2415 -14.7075 11.2551 -12.0122 -18.2677 -17.1377 -15.3037 -8.89783 TIMING: 778400 CPU: 2307.09, 0.00298269/step Wall: 2307.09, 0.00298269/step, 3.4977 hours remaining, 205.937500 MB of memory in use. ENERGY: 778400 788.8815 2103.0189 1965.1138 122.2717 -205815.2788 17423.2079 0.0000 0.0000 34117.0011 -149295.7839 297.9523 -183412.7850 -149203.2360 298.7108 -171.3331 -138.5900 557153.1820 6.4695 6.7363 PRESSURE: 778600 -140.562 -90.4044 -99.115 -90.4045 -50.774 -97.8106 -99.1159 -97.8107 -10.3872 GPRESSURE: 778600 -133.005 -180.759 -31.7139 -104.233 42.772 -81.7167 -196.577 -102.956 -28.6194 PRESSAVG: 778600 -79.913 45.9613 -37.1436 45.9614 15.927 23.0854 -37.1436 23.0854 60.8062 GPRESSAVG: 778600 -82.4516 47.6144 -36.724 46.6341 15.9946 25.1166 -35.7058 22.8802 63.9062 TIMING: 778600 CPU: 2307.69, 0.00299404/step Wall: 2307.69, 0.00299404/step, 3.51084 hours remaining, 205.937500 MB of memory in use. ENERGY: 778600 739.1414 2113.1378 1948.4341 118.0624 -206199.7858 17743.4571 0.0000 0.0000 34408.0210 -149129.5320 300.4938 -183537.5530 -149037.4949 299.2867 -67.2410 -39.6176 556848.8561 -1.0599 -0.8502 PRESSURE: 778800 -161.64 -77.1709 -83.8866 -77.1697 -161.036 -31.3459 -83.8874 -31.3462 -45.2612 GPRESSURE: 778800 -164.331 -49.2485 -109.676 -38.6738 -160.121 -92.1991 -132.942 -78.5862 47.5234 PRESSAVG: 778800 -31.1671 8.51077 -29.3049 8.51086 -6.0293 13.4333 -29.305 13.4333 58.8712 GPRESSAVG: 778800 -29.1616 10.454 -28.1669 7.98721 -6.32273 11.7398 -30.7138 13.6548 57.5048 TIMING: 778800 CPU: 2308.28, 0.00296711/step Wall: 2308.28, 0.00296711/step, 3.4791 hours remaining, 205.937500 MB of memory in use. ENERGY: 778800 707.1844 2087.0802 1950.5818 127.5886 -205856.3497 17479.4406 0.0000 0.0000 34128.5142 -149375.9599 298.0528 -183504.4741 -149272.1731 299.3541 -122.6458 -92.3096 557413.2612 7.2249 7.3402 PRESSURE: 779000 -44.0389 14.2871 113.008 14.2876 98.2096 3.83253 113.008 3.83187 -94.57 GPRESSURE: 779000 -29.4477 -12.0571 43.6412 -18.0471 121.895 36.5647 205.869 -22.196 -30.432 PRESSAVG: 779000 -50.9759 11.6057 -10.6274 11.6056 -12.7899 16.1287 -10.6275 16.1287 43.5577 GPRESSAVG: 779000 -51.9698 10.3736 -12.2693 11.2036 -11.9022 17.0006 -9.77278 15.2344 43.777 TIMING: 779000 CPU: 2308.88, 0.00295811/step Wall: 2308.88, 0.00295811/step, 3.46839 hours remaining, 205.937500 MB of memory in use. ENERGY: 779000 742.4459 2050.0135 1934.0333 124.9607 -206109.8955 17765.5970 0.0000 0.0000 34129.0319 -149363.8132 298.0573 -183492.8451 -149264.8401 298.3494 -13.4664 20.6718 557038.4607 -6.7360 -6.6983 PRESSURE: 779200 206.515 -54.2265 177.385 -54.2277 -77.6209 177.805 177.385 177.805 101.925 GPRESSURE: 779200 212.215 -112.527 105.285 -90.5121 -16.7133 191.257 106.637 96.4582 132.98 PRESSAVG: 779200 1.25901 1.6421 -28.0752 1.64204 -25.5893 41.3599 -28.0752 41.3598 13.7844 GPRESSAVG: 779200 0.781093 0.290531 -27.8278 3.07234 -25.4336 43.2507 -29.3501 40.0301 14.4726 TIMING: 779200 CPU: 2309.47, 0.00299363/step Wall: 2309.47, 0.00299363/step, 3.50987 hours remaining, 205.937500 MB of memory in use. ENERGY: 779200 708.1559 2035.6782 1950.0020 115.9308 -206168.2492 17849.1909 0.0000 0.0000 34076.6390 -149432.6524 297.5998 -183509.2913 -149340.2555 298.5365 76.9399 109.4939 557019.0301 -3.5153 -3.3933 PRESSURE: 779400 65.9577 -22.574 90.597 -22.5743 -86.5141 -21.9268 90.597 -21.9265 347.394 GPRESSURE: 779400 114.071 -41.7029 86.9644 -45.8903 -64.029 58.121 124.587 -10.7546 355.666 PRESSAVG: 779400 28.945 14.8409 -13.1383 14.841 -44.3499 9.77271 -13.1383 9.7727 14.0698 GPRESSAVG: 779400 30.7341 15.6397 -11.5182 15.4355 -44.8748 6.83397 -14.1907 11.9221 12.7461 TIMING: 779400 CPU: 2310.07, 0.00297925/step Wall: 2310.07, 0.00297925/step, 3.49284 hours remaining, 205.937500 MB of memory in use. ENERGY: 779400 762.0827 2038.5468 1972.0557 127.0933 -206325.4966 17833.6998 0.0000 0.0000 34074.3082 -149517.7101 297.5794 -183592.0183 -149424.1343 298.4569 108.9458 135.2358 556413.2047 -0.4450 -0.4648 PRESSURE: 779600 -30.3459 65.6011 47.7331 65.6014 -232.678 68.87 47.7341 68.8695 -315.756 GPRESSURE: 779600 -30.4621 114.938 9.56574 39.937 -136.543 46.0439 191.496 123.872 -308.803 PRESSAVG: 779600 76.0495 3.31426 -11.564 3.31427 -12.6695 48.323 -11.564 48.323 -31.96 GPRESSAVG: 779600 75.6848 4.71753 -13.4641 1.55892 -12.5956 49.0555 -9.84304 50.3739 -32.0983 TIMING: 779600 CPU: 2310.67, 0.00299057/step Wall: 2310.67, 0.00299057/step, 3.50594 hours remaining, 205.937500 MB of memory in use. ENERGY: 779600 773.0816 2028.4014 1959.1087 103.9541 -206310.5500 17593.9843 0.0000 0.0000 33961.6055 -149890.4144 296.5951 -183852.0199 -149785.9008 297.7742 -192.9266 -158.6024 556696.5958 10.4733 10.3303 PRESSURE: 779800 -288.51 178.368 -74.2404 178.367 215.759 112.141 -74.2405 112.14 -163.535 GPRESSURE: 779800 -298.426 295.435 37.9728 91.5275 240.051 32.6003 -72.3577 118.314 -67.9712 PRESSAVG: 779800 -49.9137 17.5294 10.3001 17.5294 65.378 29.0735 10.3001 29.0736 -40.1405 GPRESSAVG: 779800 -51.5726 16.8686 10.4421 18.6902 66.4389 30.2331 10.9707 27.8573 -39.3014 TIMING: 779800 CPU: 2311.26, 0.00298024/step Wall: 2311.26, 0.00298024/step, 3.49367 hours remaining, 205.937500 MB of memory in use. ENERGY: 779800 737.8637 2134.0957 1951.1830 113.3910 -206421.4616 17764.0782 0.0000 0.0000 33957.6901 -149763.1599 296.5610 -183720.8500 -149670.6237 297.2072 -78.7617 -42.1155 556772.4500 -8.2254 -8.1450 PRESSURE: 780000 115.96 -19.3335 44.0538 -19.3325 168.242 -58.0885 44.0528 -58.0886 -75.4306 GPRESSURE: 780000 155.387 -32.9164 69.9993 36.4334 165.864 -83.9063 46.8593 -100.853 -27.1139 PRESSAVG: 780000 -81.5528 -14.2828 35.227 -14.2828 71.206 -8.57148 35.2271 -8.57145 29.4704 GPRESSAVG: 780000 -79.8732 -14.5666 33.9081 -13.8044 69.8686 -10.093 35.3163 -8.2312 28.9803 TIMING: 780000 CPU: 2311.87, 0.00301452/step Wall: 2311.87, 0.00301452/step, 3.53369 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: 780000 756.1703 2103.5990 1932.7326 107.7936 -206465.9400 17776.1091 0.0000 0.0000 34098.7555 -149690.7798 297.7929 -183789.5354 -149591.9493 297.9819 69.5905 98.0456 558523.7040 6.3745 6.3252 PRESSURE: 780200 31.6497 78.9571 -38.4257 78.9571 -165.808 -16.3117 -38.427 -16.312 -256.072 GPRESSURE: 780200 100.996 4.6026 -92.4766 171.191 -205.132 5.55072 -31.0338 -101.228 -188.764 PRESSAVG: 780200 -11.1925 -79.4035 3.30946 -79.4035 -20.4702 59.6189 3.30938 59.619 -27.2526 GPRESSAVG: 780200 -11.3233 -78.1973 4.14493 -80.6891 -20.17 61.2805 1.34137 56.9499 -27.3029 TIMING: 780200 CPU: 2312.47, 0.00299188/step Wall: 2312.47, 0.00299188/step, 3.50698 hours remaining, 205.937500 MB of memory in use. ENERGY: 780200 725.0913 2043.0273 1944.2654 108.3849 -206175.2927 17600.8573 0.0000 0.0000 34134.9182 -149618.7483 298.1087 -183753.6665 -149529.2512 297.9671 -130.0770 -97.6332 557286.5693 -19.6384 -19.5987 LDB: ============= START OF LOAD BALANCING ============== 2315.89 LDB: ============== END OF LOAD BALANCING =============== 2315.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2315.9 LDB: ============= START OF LOAD BALANCING ============== 2316.19 LDB: Largest compute 4820 load 0.032391 is 27.5% of average load 0.117841 LDB: Average compute 0.001735 is 1.5% of average load 0.117841 LDB: TIME 2316.19 LOAD: AVG 0.117841 MAX 0.196037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 2316.2 LOAD: AVG 0.117841 MAX 0.196037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 2316.2 LOAD: AVG 0.117841 MAX 0.196037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: ============== END OF LOAD BALANCING =============== 2316.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2316.2 PRESSURE: 780400 -184.886 -76.7146 3.18933 -76.7147 99.7636 85.1203 3.1887 85.1203 21.0556 GPRESSURE: 780400 -174.911 -68.2601 17.2314 11.4851 103.786 138.56 26.7764 -16.0012 105.687 PRESSAVG: 780400 48.7764 -32.4923 -33.0425 -32.4923 -48.8649 39.0101 -33.0425 39.01 16.0786 GPRESSAVG: 780400 47.9978 -32.8572 -33.4932 -30.8307 -48.9988 36.2822 -32.7798 41.1805 16.6115 TIMING: 780400 CPU: 2313.07, 0.00302891/step Wall: 2313.07, 0.00302891/step, 3.55022 hours remaining, 207.218750 MB of memory in use. ENERGY: 780400 764.9427 2093.2110 1955.3516 119.1443 -206885.6285 17878.9184 0.0000 0.0000 34294.9579 -149779.1027 299.5064 -184074.0605 -149685.9608 298.1583 -21.3556 11.5205 555433.2373 5.3300 5.2035 PRESSURE: 780600 33.8477 -87.0019 15.4625 -87.001 72.4793 155.682 15.4615 155.683 -97.1304 GPRESSURE: 780600 116.785 -63.3737 -78.3156 -61.0226 64.9097 113.036 49.1713 136.835 -64.8735 PRESSAVG: 780600 -16.9648 -6.1993 -8.02223 -6.19927 -23.0732 35.5613 -8.02225 35.5613 48.9702 GPRESSAVG: 780600 -16.4729 -6.66766 -7.65864 -6.19366 -22.0758 39.1943 -7.89716 34.1482 48.1663 TIMING: 780600 CPU: 2313.67, 0.00300652/step Wall: 2313.67, 0.00300652/step, 3.52381 hours remaining, 207.218750 MB of memory in use. ENERGY: 780600 765.7774 2107.5886 1940.6581 101.8617 -206605.0426 17854.5916 0.0000 0.0000 34088.0730 -149746.4923 297.6996 -183834.5653 -149649.8290 298.0710 3.0655 38.9403 555579.6557 2.9774 3.2059 PRESSURE: 780800 28.3189 -10.7934 -130.016 -10.7938 45.2541 -58.4871 -130.016 -58.4877 -262.448 GPRESSURE: 780800 95.6674 41.8925 -196.256 -120.942 55.5326 -37.3628 -113.749 -30.3458 -254.631 PRESSAVG: 780800 25.3056 18.4591 5.27858 18.4591 -40.0623 7.80356 5.27858 7.80345 8.80108 GPRESSAVG: 780800 25.4721 18.2336 4.59082 18.7743 -41.5039 7.63478 5.70742 7.15899 9.75012 TIMING: 780800 CPU: 2314.27, 0.00299411/step Wall: 2314.27, 0.00299411/step, 3.5091 hours remaining, 207.218750 MB of memory in use. ENERGY: 780800 711.1568 2070.9481 1936.4991 119.0862 -206271.8799 17651.0661 0.0000 0.0000 34158.2136 -149624.9100 298.3122 -183783.1236 -149529.3039 297.8975 -62.9584 -34.4769 556126.4960 -1.9852 -2.0939 PRESSURE: 781000 -77.1105 21.3012 50.779 21.3007 -142.847 -16.8422 50.7785 -16.8418 -147.179 GPRESSURE: 781000 -51.0254 -21.7424 58.0307 36.149 -129.962 -44.0322 -5.32976 -12.483 -89.1435 PRESSAVG: 781000 -5.97103 25.6573 20.1208 25.6573 4.82973 -17.7887 20.1208 -17.7888 26.8947 GPRESSAVG: 781000 -6.35752 24.978 21.4029 26.1682 6.00038 -17.463 17.7365 -16.9337 25.9425 TIMING: 781000 CPU: 2314.87, 0.00299333/step Wall: 2314.87, 0.00299333/step, 3.50802 hours remaining, 207.218750 MB of memory in use. ENERGY: 781000 754.3335 2059.5529 1929.3530 106.8360 -206009.5719 17616.7252 0.0000 0.0000 34047.2520 -149495.5193 297.3431 -183542.7713 -149396.8619 297.8358 -122.3788 -90.0436 556641.1779 8.5845 8.5285 PRESSURE: 781200 -301.366 -122.052 -68.9173 -122.052 -291.669 57.7307 -68.9162 57.7326 -120.004 GPRESSURE: 781200 -311.896 -36.6039 -128.351 -145.482 -226.323 32.8386 -52.1431 74.676 -72.7196 PRESSAVG: 781200 -47.4256 18.5859 49.0254 18.5859 15.2842 -19.0919 49.0254 -19.0921 11.489 GPRESSAVG: 781200 -48.3991 18.3006 49.1206 17.861 16.1585 -21.5387 49.6618 -17.2814 10.8862 TIMING: 781200 CPU: 2315.47, 0.00297763/step Wall: 2315.47, 0.00297763/step, 3.48946 hours remaining, 207.218750 MB of memory in use. ENERGY: 781200 755.7937 2095.3068 1966.6866 111.6635 -206183.7736 17566.9730 0.0000 0.0000 34024.1256 -149663.2243 297.1412 -183687.3499 -149563.3852 297.7939 -237.6799 -203.6462 558175.1662 -6.8841 -7.1182 PRESSURE: 781400 160.386 -99.6642 -115.582 -99.6639 -189.715 -30.6832 -115.583 -30.6829 -222.549 GPRESSURE: 781400 182.759 -39.7548 -24.8944 -80.3151 -169.751 -48.0954 -134.802 -50.9994 -171.457 PRESSAVG: 781400 -35.3154 23.0185 6.27218 23.0184 -5.32909 8.4787 6.27226 8.47876 47.2229 GPRESSAVG: 781400 -34.5648 23.2251 4.98012 21.9989 -6.87446 9.76155 6.62977 6.09471 47.2764 TIMING: 781400 CPU: 2316.06, 0.0029897/step Wall: 2316.06, 0.0029897/step, 3.50344 hours remaining, 207.218750 MB of memory in use. ENERGY: 781400 696.1576 2064.5421 1923.1281 116.3671 -205928.3807 17577.8741 0.0000 0.0000 34036.0183 -149514.2932 297.2450 -183550.3115 -149423.6168 297.9395 -83.9594 -52.8162 559089.8688 2.1928 1.9457 PRESSURE: 781600 -106.726 38.357 163.124 38.3572 -96.7278 -220.642 163.123 -220.641 169.631 GPRESSURE: 781600 -50.3457 95.674 129.405 -66.937 -34.8647 -231.216 212.841 -272.797 147.022 PRESSAVG: 781600 26.3878 26.2387 -21.2948 26.2388 -31.5162 -6.0191 -21.2949 -6.01891 -28.8341 GPRESSAVG: 781600 25.6301 27.6277 -18.6973 25.0667 -31.4282 -8.40653 -22.5778 -4.0466 -27.8968 TIMING: 781600 CPU: 2316.66, 0.00297683/step Wall: 2316.66, 0.00297683/step, 3.48819 hours remaining, 207.218750 MB of memory in use. ENERGY: 781600 731.8489 2108.6403 1929.5522 107.3500 -206439.2235 17904.2681 0.0000 0.0000 34316.2432 -149341.3207 299.6923 -183657.5640 -149248.1058 298.8170 -11.2741 20.6039 557234.6328 -11.3208 -11.2316 PRESSURE: 781800 -15.1399 -40.9331 -37.1748 -40.933 -36.2265 -224.184 -37.1755 -224.183 -284.029 GPRESSURE: 781800 13.1469 -76.7911 -61.5106 -28.0891 -18.7717 -188.654 -54.6735 -210.336 -239.673 PRESSAVG: 781800 -16.4411 -17.3766 0.335287 -17.3766 6.68424 -23.507 0.335238 -23.5069 -24.9452 GPRESSAVG: 781800 -15.7408 -18.3304 0.5002 -16.2937 6.17549 -20.9909 3.16469 -24.354 -25.0609 TIMING: 781800 CPU: 2317.25, 0.00294777/step Wall: 2317.25, 0.00294777/step, 3.45396 hours remaining, 207.218750 MB of memory in use. ENERGY: 781800 753.4126 2060.1073 1956.4037 112.8799 -206258.0779 17791.3758 0.0000 0.0000 34287.9383 -149295.9602 299.4451 -183583.8985 -149192.6344 298.4065 -111.7985 -81.7659 557037.0210 -11.5674 -11.5421 PRESSURE: 782000 -44.4514 11.7343 -39.7357 11.7339 -165.698 43.2678 -39.7355 43.2692 90.5051 GPRESSURE: 782000 -40.3282 -26.1036 -14.7219 -45.8999 -120.111 6.61491 25.0946 -36.9517 137.255 PRESSAVG: 782000 15.3737 -33.9398 15.7746 -33.9398 -4.23526 -58.5188 15.7747 -58.519 10.7061 GPRESSAVG: 782000 14.8311 -34.8357 14.994 -31.854 -3.41176 -58.582 14.4048 -59.5496 10.5666 TIMING: 782000 CPU: 2317.84, 0.00295724/step Wall: 2317.84, 0.00295724/step, 3.4649 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: 782000 752.2346 2077.5853 1926.4800 110.3086 -206009.6626 17791.7571 0.0000 0.0000 34140.2433 -149211.0537 298.1552 -183351.2971 -149105.9587 299.1645 -39.8816 -7.7279 558038.7086 7.2815 7.3286 PRESSURE: 782200 287.485 75.8795 -103.84 75.8788 -194.509 -107.883 -103.841 -107.883 218.271 GPRESSURE: 782200 345.891 84.0755 -178.447 36.5307 -142.394 -175.94 -49.0382 40.2676 207.414 PRESSAVG: 782200 29.1034 3.95852 9.46173 3.95861 -65.5325 1.39614 9.46173 1.39612 40.6127 GPRESSAVG: 782200 28.9569 7.25286 8.80124 2.5911 -65.3097 3.68405 8.72019 0.547168 40.6648 TIMING: 782200 CPU: 2318.44, 0.00297309/step Wall: 2318.44, 0.00297309/step, 3.48331 hours remaining, 207.218750 MB of memory in use. ENERGY: 782200 720.2287 2140.8698 1979.2029 111.2492 -206112.8737 17891.2650 0.0000 0.0000 34088.2374 -149181.8208 297.7011 -183270.0582 -149087.7870 298.9174 103.7489 136.9704 556822.5669 1.3945 1.4373 PRESSURE: 782400 177.48 20.4242 48.0576 20.4252 304.826 -10.7485 48.0558 -10.7497 323.092 GPRESSURE: 782400 205.802 -52.1182 -33.223 143.958 375.981 18.0879 100.419 -25.4288 326.389 PRESSAVG: 782400 17.8633 35.4869 -4.51175 35.4869 -49.91 -4.94278 -4.51185 -4.94269 30.2969 GPRESSAVG: 782400 17.124 33.6353 -4.43279 37.3011 -48.4736 -7.23454 -2.92124 -3.56709 29.5935 TIMING: 782400 CPU: 2319.03, 0.00295189/step Wall: 2319.03, 0.00295189/step, 3.4583 hours remaining, 207.218750 MB of memory in use. ENERGY: 782400 709.9420 2100.7140 1938.8338 105.6230 -206384.9351 18149.7143 0.0000 0.0000 34129.9994 -149250.1087 298.0658 -183380.1080 -149153.0597 298.5518 268.4657 302.7240 556683.0667 -0.5833 -0.5854 PRESSURE: 782600 69.8749 -17.51 128.569 -17.5103 -309.571 -56.9978 128.57 -56.9978 40.4978 GPRESSURE: 782600 38.4859 -27.1831 174.313 -14.9815 -170.595 -56.2687 88.4876 -39.2674 24.6843 PRESSAVG: 782600 16.7762 -18.995 14.1762 -18.9949 -27.012 -23.2059 14.1761 -23.2057 29.387 GPRESSAVG: 782600 17.1016 -18.2579 14.1902 -20.5362 -27.7617 -22.9511 12.219 -23.697 29.9351 TIMING: 782600 CPU: 2319.62, 0.00296199/step Wall: 2319.62, 0.002962/step, 3.46998 hours remaining, 207.218750 MB of memory in use. ENERGY: 782600 728.4721 2042.9441 1962.3807 115.8758 -206297.5654 17942.6550 0.0000 0.0000 34222.1852 -149283.0524 298.8709 -183505.2375 -149189.0665 298.6129 -66.3995 -35.8084 558809.6569 6.3837 6.4250 PRESSURE: 782800 -60.8287 -37.6341 95.5751 -37.6345 -9.58122 107.949 95.5753 107.949 -74.4093 GPRESSURE: 782800 12.0464 -9.71653 35.247 -115.811 12.1818 19.4255 102.194 127.988 -65.5488 PRESSAVG: 782800 44.3254 18.8358 25.9961 18.8358 6.39734 29.6749 25.9961 29.6749 15.7476 GPRESSAVG: 782800 45.2954 18.2023 26.3231 19.9375 5.09424 30.0923 28.5146 29.41 16.2866 TIMING: 782800 CPU: 2320.21, 0.00297974/step Wall: 2320.21, 0.00297974/step, 3.49061 hours remaining, 207.218750 MB of memory in use. ENERGY: 782800 740.9425 2042.6373 1941.3564 112.4958 -206223.5480 17813.7625 0.0000 0.0000 34382.8305 -149189.5229 300.2738 -183572.3534 -149093.5784 299.1780 -48.2731 -13.7736 557197.6982 22.1567 22.2254 PRESSURE: 783000 -129.3 -59.02 -5.98151 -59.0214 -103.95 102.007 -5.98121 102.009 -161.437 GPRESSURE: 783000 -131.596 -87.58 -10.6444 -17.3073 -61.8609 36.5681 -5.62667 48.1718 -109.072 PRESSAVG: 783000 -42.9353 18.8949 53.3307 18.8949 5.48833 19.0592 53.3307 19.0592 63.3198 GPRESSAVG: 783000 -42.7164 21.3262 55.1764 18.4081 6.1541 16.6925 50.6003 21.4502 62.1295 TIMING: 783000 CPU: 2320.81, 0.00296821/step Wall: 2320.81, 0.00296821/step, 3.47693 hours remaining, 207.218750 MB of memory in use. ENERGY: 783000 726.5640 2011.5951 1933.0321 106.8745 -206478.2157 17832.4689 0.0000 0.0000 34325.5341 -149542.1470 299.7734 -183867.6811 -149445.6212 299.2705 -131.5621 -100.8429 556835.1515 8.6243 8.5224 PRESSURE: 783200 196.907 -54.9254 22.9925 -54.9243 -63.445 35.091 22.9925 35.0923 219.789 GPRESSURE: 783200 225.274 0.323607 -42.8791 -130.918 -83.8719 -26.6376 91.5855 -6.84044 305.133 PRESSAVG: 783200 7.48838 45.5199 32.9827 45.5199 11.2522 18.5541 32.9827 18.5543 -9.35238 GPRESSAVG: 783200 7.39867 41.5844 30.269 47.336 9.79544 19.9892 34.0808 17.7326 -7.77298 TIMING: 783200 CPU: 2321.4, 0.00295399/step Wall: 2321.4, 0.00295399/step, 3.4601 hours remaining, 207.218750 MB of memory in use. ENERGY: 783200 715.1706 2129.2360 1940.1049 131.3920 -206445.6087 17918.2333 0.0000 0.0000 34268.0078 -149343.4641 299.2710 -183611.4719 -149250.2063 298.5781 117.7503 148.8448 556298.8041 3.1294 3.1404 PRESSURE: 783400 -172.942 -24.477 -43.1256 -24.476 -173.288 143.933 -43.1262 143.933 -171.408 GPRESSURE: 783400 -135.666 -12.274 -30.4863 -5.85212 -126.181 139.542 10.7747 107.919 -151.093 PRESSAVG: 783400 53.6321 -38.4753 -37.4271 -38.4753 0.346801 -27.7991 -37.427 -27.7992 -8.2964 GPRESSAVG: 783400 55.0532 -36.3779 -36.7148 -40.5927 1.16885 -27.53 -37.4847 -30.5702 -10.5693 TIMING: 783400 CPU: 2322, 0.00298536/step Wall: 2322, 0.00298536/step, 3.49669 hours remaining, 207.218750 MB of memory in use. ENERGY: 783400 754.2170 2041.1496 1918.6967 102.5184 -206140.6030 17644.7657 0.0000 0.0000 34166.6397 -149512.6159 298.3858 -183679.2557 -149410.8826 298.7920 -172.5461 -137.6466 558458.8298 15.2275 15.2176 PRESSURE: 783600 -162.572 74.0171 -130.702 74.0174 -158.584 -128.064 -130.702 -128.063 -72.7853 GPRESSURE: 783600 -92.4881 -13.5222 -156.369 101.534 -149.55 -153.35 -108.553 -97.4904 -47.722 PRESSAVG: 783600 124.471 -12.6934 -30.9536 -12.6935 -159.175 -20.0134 -30.9535 -20.0135 21.8841 GPRESSAVG: 783600 122.413 -13.2095 -30.0978 -13.1775 -159.444 -21.4877 -31.0545 -16.061 23.3448 TIMING: 783600 CPU: 2322.6, 0.00302208/step Wall: 2322.6, 0.00302208/step, 3.53953 hours remaining, 207.218750 MB of memory in use. ENERGY: 783600 740.8782 2083.7146 1948.3763 120.5035 -206348.1677 17705.1544 0.0000 0.0000 34161.7844 -149587.7563 298.3434 -183749.5407 -149495.1991 298.5864 -131.3137 -96.5866 558959.1263 -4.2732 -4.5623 PRESSURE: 783800 -51.7372 -185.738 -64.7521 -185.738 -89.3688 21.5173 -64.7528 21.5168 -288.237 GPRESSURE: 783800 -95.5961 -266.249 -4.58602 -113.501 -29.1668 51.0653 -80.2183 45.9058 -193.111 PRESSAVG: 783800 -33.662 -32.8794 -46.0726 -32.8794 -55.7787 64.0248 -46.0725 64.0248 43.5061 GPRESSAVG: 783800 -33.7713 -33.115 -46.6298 -31.5749 -55.7027 65.2827 -46.3978 61.884 43.4964 TIMING: 783800 CPU: 2323.2, 0.00300352/step Wall: 2323.2, 0.00300352/step, 3.51762 hours remaining, 207.218750 MB of memory in use. ENERGY: 783800 726.6603 2120.0935 1932.6731 127.9058 -206530.3404 17792.4824 0.0000 0.0000 34185.3168 -149645.2086 298.5489 -183830.5254 -149554.0571 298.7004 -143.1145 -105.9578 558596.7629 -15.3115 -15.3259 PRESSURE: 784000 101.643 -129.513 106.41 -129.512 -126.22 -89.468 106.41 -89.4686 -160.531 GPRESSURE: 784000 86.2771 -109.863 76.3139 -129.566 -97.0232 -26.1528 133.46 -105.649 -80.5355 PRESSAVG: 784000 -10.4606 -27.7409 -31.5524 -27.7409 -22.2263 -4.08062 -31.5524 -4.08059 43.6994 GPRESSAVG: 784000 -10.3507 -26.9573 -30.3656 -28.5244 -22.1399 -4.17797 -29.6647 -3.64006 43.4028 TIMING: 784000 CPU: 2323.79, 0.00295387/step Wall: 2323.79, 0.00295387/step, 3.45931 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: 784000 763.6933 2124.6224 1943.4094 125.5058 -206377.1541 17761.2229 0.0000 0.0000 33939.2741 -149719.4262 296.4001 -183658.7003 -149619.4498 297.6058 -61.7026 -30.4272 558049.0256 3.6708 3.6374 PRESSURE: 784200 -57.9259 -19.6257 -135.366 -19.6255 19.7319 -158.012 -135.366 -158.012 -214.254 GPRESSURE: 784200 -8.31403 -5.26579 -133.479 -49.5297 38.5249 -255.608 -18.6105 -60.233 -183.996 PRESSAVG: 784200 -42.5831 -25.2029 -24.333 -25.2029 30.6111 -15.1896 -24.3331 -15.1897 34.3229 GPRESSAVG: 784200 -42.823 -25.3598 -25.243 -24.8606 30.8468 -15.758 -24.6939 -16.4235 33.9528 TIMING: 784200 CPU: 2324.39, 0.00300124/step Wall: 2324.39, 0.00300124/step, 3.51462 hours remaining, 207.218750 MB of memory in use. ENERGY: 784200 734.7211 2085.0634 1953.9724 130.3573 -206363.2815 17458.9406 0.0000 0.0000 34209.4782 -149790.7484 298.7599 -184000.2266 -149691.8261 297.7556 -84.1493 -51.2618 556952.3137 7.4503 7.3255 LDB: ============= START OF LOAD BALANCING ============== 2327.82 LDB: ============== END OF LOAD BALANCING =============== 2327.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2327.82 LDB: ============= START OF LOAD BALANCING ============== 2328.13 LDB: Largest compute 4820 load 0.030883 is 26.2% of average load 0.117949 LDB: Average compute 0.001734 is 1.5% of average load 0.117949 LDB: TIME 2328.13 LOAD: AVG 0.117949 MAX 0.200382 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.695 MB LDB: TIME 2328.13 LOAD: AVG 0.117949 MAX 0.200382 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.766 MB LDB: TIME 2328.13 LOAD: AVG 0.117949 MAX 0.200382 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2328.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2328.13 PRESSURE: 784400 -20.1277 -8.72308 -4.67512 -8.72304 10.4854 -27.6744 -4.67496 -27.6736 126.853 GPRESSURE: 784400 49.2947 44.5987 -47.865 113.232 20.9753 4.59776 32.3058 -27.9508 143.764 PRESSAVG: 784400 27.3217 16.0647 -19.2607 16.0647 13.4493 -46.911 -19.2607 -46.9109 -42.545 GPRESSAVG: 784400 26.5384 16.256 -19.7702 16.3355 14.3459 -48.1233 -19.3709 -46.1865 -42.6672 TIMING: 784400 CPU: 2325, 0.00306459/step Wall: 2325, 0.00306459/step, 3.58863 hours remaining, 205.214844 MB of memory in use. ENERGY: 784400 785.4877 2155.3663 1970.9786 109.7121 -206761.9100 18154.3525 0.0000 0.0000 33922.8933 -149663.1195 296.2571 -183586.0128 -149573.0590 297.9353 39.0704 71.3447 557966.1369 -0.5913 -0.5943 PRESSURE: 784600 445.371 -50.4862 -40.366 -50.4867 23.2813 -80.6094 -40.3675 -80.6094 -96.0124 GPRESSURE: 784600 434.237 -73.9662 36.6081 -95.624 51.5273 -33.8928 20.7862 -85.1795 -24.5248 PRESSAVG: 784600 25.5641 18.9298 -16.0969 18.9297 14.6081 -1.8575 -16.0968 -1.85757 25.6326 GPRESSAVG: 784600 26.3461 18.8553 -16.7869 17.4814 13.8865 0.211444 -15.6111 -1.76819 25.502 TIMING: 784600 CPU: 2325.6, 0.00299162/step Wall: 2325.6, 0.00299162/step, 3.50302 hours remaining, 205.214844 MB of memory in use. ENERGY: 784600 742.6641 2117.2075 1952.9625 129.0444 -206530.6617 17906.1429 0.0000 0.0000 34067.5813 -149615.0589 297.5207 -183682.6402 -149519.5622 298.1211 124.2134 153.7466 557990.8808 21.9349 21.9115 PRESSURE: 784800 -123.489 -3.00239 -46.0082 -3.00153 -294.798 20.3848 -46.0088 20.386 -70.8511 GPRESSURE: 784800 -77.047 31.2153 5.72134 -40.4295 -251.844 68.4762 -74.5818 99.604 -71.9594 PRESSAVG: 784800 69.0476 3.45271 5.33298 3.4527 -52.965 -0.692489 5.33283 -0.692488 -44.0002 GPRESSAVG: 784800 68.7905 3.21734 6.27655 3.8215 -53.4178 0.25959 4.63622 -1.04315 -44.1808 TIMING: 784800 CPU: 2326.2, 0.00300918/step Wall: 2326.2, 0.00300918/step, 3.52342 hours remaining, 205.214844 MB of memory in use. ENERGY: 784800 729.5399 2077.3470 1941.1377 120.9362 -206160.2923 17738.2382 0.0000 0.0000 34064.9758 -149488.1177 297.4979 -183553.0934 -149391.2781 298.2084 -163.0462 -133.6167 558964.2349 -9.3059 -9.6027 PRESSURE: 785000 -115.684 49.2638 0.15563 49.263 -370.802 166.843 0.155177 166.842 -200.133 GPRESSURE: 785000 -94.762 40.4743 12.9263 1.96573 -275.858 207.551 -18.763 201.238 -204.785 PRESSAVG: 785000 40.985 -27.4291 17.3464 -27.429 -23.43 10.1146 17.3463 10.1147 -12.9907 GPRESSAVG: 785000 41.4962 -27.4715 18.2592 -26.5937 -23.3862 8.9294 17.5931 9.5958 -13.9971 TIMING: 785000 CPU: 2326.8, 0.00298033/step Wall: 2326.8, 0.00298033/step, 3.48947 hours remaining, 205.214844 MB of memory in use. ENERGY: 785000 747.9626 2094.9064 1931.4251 117.2996 -205937.8562 17551.7185 0.0000 0.0000 34158.9381 -149335.6059 298.3185 -183494.5440 -149243.7881 298.0898 -228.8733 -191.8018 558092.3549 1.5214 1.3710 PRESSURE: 785200 -69.9155 -57.8695 98.6262 -57.8682 -189.026 100.381 98.6272 100.379 -101.266 GPRESSURE: 785200 -40.5634 -110.437 118.318 -35.001 -167.807 42.4198 66.4282 86.406 -58.9393 PRESSAVG: 785200 -13.3306 -53.1027 -10.7044 -53.1027 18.3974 10.9575 -10.7044 10.9576 -57.0867 GPRESSAVG: 785200 -13.3133 -52.965 -13.8223 -52.6588 17.7766 8.56677 -10.5478 13.2881 -56.7028 TIMING: 785200 CPU: 2327.39, 0.00295943/step Wall: 2327.39, 0.00295943/step, 3.46484 hours remaining, 205.214844 MB of memory in use. ENERGY: 785200 740.8054 2156.8207 1942.1206 109.7555 -206100.0603 17491.9336 0.0000 0.0000 34197.5764 -149461.0480 298.6559 -183658.6244 -149357.9161 298.6572 -120.0691 -89.1033 558053.3510 -17.3400 -17.4132 PRESSURE: 785400 -92.0647 69.9531 17.1574 69.952 -64.9824 7.95886 17.156 7.95862 -125.484 GPRESSURE: 785400 -69.8764 -2.44409 5.09103 17.0571 -50.4425 -88.8147 6.23316 53.6881 -63.8275 PRESSAVG: 785400 9.40991 21.3135 -3.73181 21.3135 -32.8537 39.1991 -3.73172 39.1991 15.9316 GPRESSAVG: 785400 7.50782 21.6333 -0.331657 19.9016 -31.949 40.3539 -4.98948 38.3068 16.8028 TIMING: 785400 CPU: 2327.98, 0.00295262/step Wall: 2327.98, 0.00295262/step, 3.45669 hours remaining, 205.214844 MB of memory in use. ENERGY: 785400 729.5194 2107.0973 1920.9383 103.2844 -206250.4559 17674.7765 0.0000 0.0000 34157.7501 -149557.0900 298.3081 -183714.8401 -149467.6629 298.0221 -94.1769 -61.3821 557656.4833 -2.5041 -2.5461 PRESSURE: 785600 232.619 1.15592 -32.6477 1.15529 102.513 11.9034 -32.6489 11.9025 153.728 GPRESSURE: 785600 235.947 13.1415 -6.24109 32.982 134.642 -85.4602 -105.043 145.093 214.244 PRESSAVG: 785600 -16.0151 -8.19309 58.4849 -8.19313 28.2391 17.206 58.4849 17.2062 8.41171 GPRESSAVG: 785600 -14.1738 -7.17408 57.4084 -8.8428 27.0229 16.7777 59.1417 17.517 8.40015 TIMING: 785600 CPU: 2328.58, 0.00296727/step Wall: 2328.58, 0.00296727/step, 3.47369 hours remaining, 205.214844 MB of memory in use. ENERGY: 785600 723.2869 2099.5852 1925.7246 124.0426 -206505.6140 17977.4447 0.0000 0.0000 34154.3027 -149501.2273 298.2780 -183655.5301 -149406.8109 298.9731 162.9533 194.9442 556621.2195 6.8786 7.0831 PRESSURE: 785800 -73.6804 44.2391 98.5203 44.2388 97.6128 84.8201 98.5201 84.8211 -56.5689 GPRESSURE: 785800 -31.1173 7.54968 -51.9374 35.5849 164.044 -0.309045 157.867 94.9589 -75.9065 PRESSAVG: 785800 7.86847 16.1766 21.9279 16.1766 -5.03196 -41.1505 21.928 -41.1504 6.62576 GPRESSAVG: 785800 8.32886 15.0702 22.9112 18.7653 -5.7537 -39.6929 21.0265 -41.3216 6.52108 TIMING: 785800 CPU: 2329.17, 0.00296564/step Wall: 2329.17, 0.00296564/step, 3.47161 hours remaining, 205.214844 MB of memory in use. ENERGY: 785800 743.6310 2112.6085 1953.0671 127.5363 -206483.8418 17886.3928 0.0000 0.0000 34142.8403 -149517.7659 298.1779 -183660.6062 -149423.7949 298.2750 -10.8789 19.0067 558238.9427 3.1541 3.0321 PRESSURE: 786000 141.017 -231.579 78.7529 -231.579 -120.69 56.8751 78.7535 56.8744 -74.7304 GPRESSURE: 786000 145.624 -160.503 117.237 -233.792 -83.1122 4.33004 34.8249 71.6482 -24.8313 PRESSAVG: 786000 12.8383 52.8565 54.1317 52.8566 -15.1903 -45.0838 54.1318 -45.0838 15.0519 GPRESSAVG: 786000 12.1858 52.4372 51.4299 51.8392 -14.7208 -45.583 55.079 -45.9275 15.5978 TIMING: 786000 CPU: 2329.77, 0.00298648/step Wall: 2329.77, 0.00298648/step, 3.49584 hours remaining, 205.214844 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: 786000 758.0275 2111.8504 1973.5468 117.4506 -206751.6825 18031.4272 0.0000 0.0000 34202.1191 -149557.2609 298.6956 -183759.3800 -149459.6334 298.5231 -18.1343 12.5601 558219.6611 4.2333 4.3543 PRESSURE: 786200 97.2069 0.735064 14.9885 0.735408 48.2008 -19.7656 14.9887 -19.7645 84.4916 GPRESSURE: 786200 115.327 31.9048 35.8927 -55.219 108.917 13.6614 -84.5542 24.7244 120.69 PRESSAVG: 786200 37.107 -35.1189 -28.9488 -35.1188 -18.4012 7.00055 -28.9488 7.00046 8.85529 GPRESSAVG: 786200 36.3058 -34.467 -27.1686 -35.9689 -18.2034 7.82808 -29.3736 8.95564 9.38295 TIMING: 786200 CPU: 2330.37, 0.00299563/step Wall: 2330.37, 0.00299563/step, 3.50639 hours remaining, 205.214844 MB of memory in use. ENERGY: 786200 747.1446 2148.1750 1959.5009 107.1052 -207002.9933 18154.9376 0.0000 0.0000 34275.9861 -149610.1439 299.3407 -183886.1300 -149519.0280 298.4497 76.6331 114.9781 556867.3084 9.1870 9.1618 PRESSURE: 786400 94.8249 45.3574 43.1689 45.3588 95.7508 211.092 43.1679 211.092 120.864 GPRESSURE: 786400 180.262 74.3476 57.3585 -40.1858 97.6185 226.733 36.9703 146.84 133.146 PRESSAVG: 786400 -25.0811 14.7793 5.70342 14.7792 -49.462 -25.2758 5.7034 -25.2758 85.8368 GPRESSAVG: 786400 -25.0355 14.3231 5.65759 14.0615 -49.002 -25.4323 5.67156 -26.6947 85.2428 TIMING: 786400 CPU: 2330.96, 0.00299186/step Wall: 2330.96, 0.00299186/step, 3.5018 hours remaining, 205.214844 MB of memory in use. ENERGY: 786400 742.4168 2086.2208 1988.2401 103.4937 -206657.5770 18041.6869 0.0000 0.0000 33990.8237 -149704.6950 296.8503 -183695.5187 -149608.3452 297.5030 103.8131 137.0087 556586.3078 3.7646 3.7351 PRESSURE: 786600 222.851 88.5514 -5.59008 88.5514 -80.1167 -57.0567 -5.59082 -57.0572 46.674 GPRESSURE: 786600 250.356 135.565 15.0367 85.8187 -90.4714 -151.205 -1.76449 -99.2612 127.996 PRESSAVG: 786600 46.8465 59.6388 -25.3746 59.6388 -43.9663 2.20879 -25.3745 2.20868 -12.0291 GPRESSAVG: 786600 47.7556 60.2813 -24.5818 60.5162 -43.9397 0.667237 -26.8778 2.05035 -12.5299 TIMING: 786600 CPU: 2331.56, 0.00297722/step Wall: 2331.56, 0.00297722/step, 3.4845 hours remaining, 205.214844 MB of memory in use. ENERGY: 786600 692.8093 2114.8695 1939.6266 110.5859 -206326.4391 17915.9759 0.0000 0.0000 33926.3370 -149626.2349 296.2871 -183552.5719 -149533.8384 298.0992 63.1362 95.9600 557622.2038 -3.0496 -2.9046 PRESSURE: 786800 -99.3321 -84.3433 85.5141 -84.344 -162.47 -106.16 85.5147 -106.16 268.548 GPRESSURE: 786800 -65.1843 -69.4558 130.172 -68.8038 -86.3323 -183.255 55.559 -132.923 272.549 PRESSAVG: 786800 14.7579 32.3544 -14.0838 32.3543 -41.8289 -8.59771 -14.0839 -8.59771 19.1993 GPRESSAVG: 786800 14.5314 32.101 -15.6571 33.9109 -42.6114 -8.08273 -10.9379 -9.03662 19.6374 TIMING: 786800 CPU: 2332.15, 0.00295296/step Wall: 2332.15, 0.00295296/step, 3.45595 hours remaining, 205.214844 MB of memory in use. ENERGY: 786800 717.7145 2023.0136 1921.2034 93.7188 -206573.3347 17843.9016 0.0000 0.0000 34250.4989 -149723.2840 299.1181 -183973.7828 -149626.8981 298.3673 2.2484 40.3442 557411.5209 -2.6239 -2.8142 PRESSURE: 787000 -47.2527 76.6769 -76.6247 76.6758 -174.093 -48.6369 -76.6259 -48.6367 32.2535 GPRESSURE: 787000 -58.5282 117.216 -84.8405 63.5337 -144.412 25.0194 -93.8889 -25.2182 119.84 PRESSAVG: 787000 -17.7409 17.4459 14.6031 17.4459 -49.5674 -38.0087 14.6029 -38.0087 48.8437 GPRESSAVG: 787000 -17.6411 18.9813 14.8498 15.3597 -48.6839 -37.2151 12.9577 -37.8366 47.9514 TIMING: 787000 CPU: 2332.74, 0.00297166/step Wall: 2332.74, 0.00297166/step, 3.47766 hours remaining, 205.214844 MB of memory in use. ENERGY: 787000 778.4620 2053.4394 1930.9822 110.5585 -206299.3519 17882.1282 0.0000 0.0000 34076.6691 -149467.1125 297.6000 -183543.7816 -149372.7156 298.2753 -63.0308 -27.6999 558079.5506 -6.1549 -6.1245 PRESSURE: 787200 -266.067 -18.4865 82.738 -18.4859 -477.37 -26.8122 82.7395 -26.8117 -220.657 GPRESSURE: 787200 -253.897 -78.6444 121.801 -45.0741 -471.912 -78.5085 24.6908 -20.0166 -165.273 PRESSAVG: 787200 -8.67156 3.3539 7.47348 3.35385 -89.5079 -24.2337 7.47334 -24.2336 51.6649 GPRESSAVG: 787200 -8.62241 1.74044 6.94288 3.38231 -89.6314 -25.6144 8.19461 -24.2508 51.9275 TIMING: 787200 CPU: 2333.34, 0.00295179/step Wall: 2333.34, 0.00295179/step, 3.45425 hours remaining, 205.214844 MB of memory in use. ENERGY: 787200 739.9362 2094.6039 1958.5619 96.5537 -205951.6933 17472.7149 0.0000 0.0000 34150.9193 -149438.4033 298.2485 -183589.3226 -149339.2319 298.2157 -321.3644 -297.0274 558305.1040 -15.5049 -15.4421 PRESSURE: 787400 -302.568 98.9532 274.999 98.9534 -195.088 87.9676 274.998 87.9677 54.5767 GPRESSURE: 787400 -243.205 85.6186 267.297 159.191 -151.177 114.48 332.147 115.285 53.6649 PRESSAVG: 787400 -32.1567 1.30147 -1.67076 1.30156 -29.0612 -39.1999 -1.67075 -39.1999 69.5859 GPRESSAVG: 787400 -32.478 1.33266 1.07653 1.57416 -29.1023 -36.8599 -3.41889 -38.5348 69.9256 TIMING: 787400 CPU: 2333.93, 0.00297737/step Wall: 2333.93, 0.00297737/step, 3.48402 hours remaining, 205.214844 MB of memory in use. ENERGY: 787400 765.6469 2059.8994 1951.0078 114.3253 -206201.9038 17950.2842 0.0000 0.0000 34032.4445 -149328.2957 297.2138 -183360.7401 -149229.0701 299.1655 -147.6931 -113.5723 559538.7806 2.7894 2.7818 PRESSURE: 787600 78.7979 -244.98 48.846 -244.98 66.8746 95.1919 48.846 95.1922 13.9462 GPRESSURE: 787600 92.9548 -187.235 89.9957 -216.424 83.7536 36.3716 27.5682 90.8188 80.8296 PRESSAVG: 787600 -0.541272 5.0408 13.313 5.04075 -34.6986 -52.404 13.313 -52.4041 0.39008 GPRESSAVG: 787600 -0.0643867 4.92647 11.7853 4.268 -35.6523 -52.8855 12.4749 -54.9483 0.713086 TIMING: 787600 CPU: 2334.53, 0.00298519/step Wall: 2334.53, 0.00298519/step, 3.49301 hours remaining, 205.214844 MB of memory in use. ENERGY: 787600 722.5512 2092.1703 1941.9173 118.7827 -206448.6104 17781.8168 0.0000 0.0000 34269.2111 -149522.1610 299.2815 -183791.3721 -149423.3290 298.0291 53.2062 85.8460 557969.3516 -11.6166 -11.6679 PRESSURE: 787800 -232.242 -125.671 -143.097 -125.672 -388.806 41.4973 -143.096 41.4972 -151.269 GPRESSURE: 787800 -240.422 -114.483 -142.12 -99.0576 -281.209 24.4153 -119.413 53.176 -161.74 PRESSAVG: 787800 -13.2849 -26.557 -21.0779 -26.5571 -25.8287 18.1588 -21.078 18.1588 50.0034 GPRESSAVG: 787800 -13.4467 -26.2288 -19.862 -24.8851 -24.9636 16.8227 -19.517 18.9644 49.0829 TIMING: 787800 CPU: 2335.12, 0.00297037/step Wall: 2335.12, 0.00297037/step, 3.4755 hours remaining, 205.214844 MB of memory in use. ENERGY: 787800 748.9755 2103.0411 1964.7635 101.8184 -206238.6893 17702.0113 0.0000 0.0000 34139.8608 -149478.2186 298.1519 -183618.0794 -149383.7870 298.5561 -257.4393 -227.7903 558293.4029 3.6299 3.5575 PRESSURE: 788000 -263.681 -7.98505 -63.9067 -7.98415 42.4765 -131.833 -63.9059 -131.832 -7.89152 GPRESSURE: 788000 -291.766 1.41409 -49.8197 10.2255 57.6844 2.05894 -87.1253 -212.859 100.526 PRESSAVG: 788000 -70.6853 -50.4365 -23.9535 -50.4364 70.3244 -2.22522 -23.9536 -2.22517 12.62 GPRESSAVG: 788000 -71.792 -49.2469 -24.6014 -51.8372 69.7886 1.2894 -25.6541 -2.43985 14.0236 TIMING: 788000 CPU: 2335.71, 0.00296494/step Wall: 2335.71, 0.00296494/step, 3.46898 hours remaining, 205.214844 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: 788000 734.5842 2069.2309 1943.8673 109.9814 -206320.0156 17719.1447 0.0000 0.0000 34181.6998 -149561.5073 298.5173 -183743.2071 -149470.7630 298.9125 -76.3653 -44.5187 556856.0071 4.0864 4.0067 PRESSURE: 788200 -7.06454 53.8681 113.292 53.8676 60.0371 51.33 113.292 51.3316 -1.86155 GPRESSURE: 788200 57.6783 -14.3449 67.0441 172.472 133.999 18.2701 134.806 -11.0178 -39.7273 PRESSAVG: 788200 -43.1719 1.42015 40.2938 1.42018 5.57212 11.9912 40.2938 11.9912 77.2287 GPRESSAVG: 788200 -41.9681 0.938363 39.6039 1.16005 5.5787 8.24012 41.439 14.0419 76.0269 TIMING: 788200 CPU: 2336.31, 0.00298724/step Wall: 2336.31, 0.00298724/step, 3.4949 hours remaining, 205.214844 MB of memory in use. ENERGY: 788200 738.3260 2144.2216 1913.1455 116.1882 -206532.9203 17885.2774 0.0000 0.0000 34180.3907 -149555.3709 298.5059 -183735.7616 -149463.8632 297.9513 17.0370 50.6499 557852.9666 13.2096 13.2125 LDB: ============= START OF LOAD BALANCING ============== 2339.74 LDB: ============== END OF LOAD BALANCING =============== 2339.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2339.74 LDB: ============= START OF LOAD BALANCING ============== 2340.04 LDB: Largest compute 4820 load 0.031544 is 26.8% of average load 0.117825 LDB: Average compute 0.001735 is 1.5% of average load 0.117825 LDB: TIME 2340.05 LOAD: AVG 0.117825 MAX 0.199974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.5 MB LDB: TIME 2340.05 LOAD: AVG 0.117825 MAX 0.199974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: TIME 2340.05 LOAD: AVG 0.117825 MAX 0.199974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2340.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2340.05 PRESSURE: 788400 -17.4869 -102.349 99.8344 -102.348 45.1312 123.423 99.8343 123.424 26.656 GPRESSURE: 788400 -25.6868 -126.21 89.4833 -11.5159 77.4444 150.63 101.487 92.7354 96.8832 PRESSAVG: 788400 -41.9149 -11.2207 23.051 -11.2208 -23.4011 7.3676 23.0509 7.36761 39.0835 GPRESSAVG: 788400 -42.3277 -11.6359 24.404 -12.627 -22.8821 7.74668 22.6212 7.08476 39.2448 TIMING: 788400 CPU: 2336.92, 0.00305776/step Wall: 2336.92, 0.00305776/step, 3.57724 hours remaining, 206.449219 MB of memory in use. ENERGY: 788400 723.6589 2103.2249 1967.5900 110.3650 -206259.4036 17891.1270 0.0000 0.0000 34177.4422 -149285.9957 298.4801 -183463.4379 -149193.2762 299.0315 18.1001 49.5469 558880.3901 -8.7442 -8.6550 PRESSURE: 788600 -304.698 -19.4515 13.8475 -19.4524 44.6892 38.246 13.8476 38.2452 49.5758 GPRESSURE: 788600 -237.29 -44.4368 92.6167 -12.9208 64.6547 5.71793 -35.1408 53.6979 58.6422 PRESSAVG: 788600 -69.5627 -4.10482 -0.739793 -4.10471 42.523 17.1496 -0.739794 17.1496 13.6077 GPRESSAVG: 788600 -68.7412 -5.32527 -2.84588 -2.50851 41.9113 19.1587 0.025691 15.7099 13.5158 TIMING: 788600 CPU: 2337.52, 0.0029721/step Wall: 2337.52, 0.0029721/step, 3.47686 hours remaining, 206.449219 MB of memory in use. ENERGY: 788600 708.1119 2079.2903 1976.1175 127.3502 -206056.6445 17656.4282 0.0000 0.0000 34489.2937 -149020.0527 301.2036 -183509.3464 -148913.3081 299.5422 -70.1444 -37.9976 558297.3214 -4.4773 -4.4380 PRESSURE: 788800 35.2819 -114.257 -151.573 -114.258 31.972 75.9512 -151.572 75.9518 87.9183 GPRESSURE: 788800 86.6547 -105.175 -186.718 -71.3081 77.874 10.1309 -112.232 134.673 86.922 PRESSAVG: 788800 8.7155 12.322 16.6347 12.322 -35.6155 -11.0706 16.6348 -11.0706 15.5809 GPRESSAVG: 788800 8.67587 13.3744 16.2697 11.8614 -34.9734 -12.2917 16.6283 -10.552 15.1248 TIMING: 788800 CPU: 2338.11, 0.00295697/step Wall: 2338.11, 0.00295697/step, 3.459 hours remaining, 206.449219 MB of memory in use. ENERGY: 788800 771.8128 2074.5562 1951.9100 113.2338 -206089.8716 17997.8166 0.0000 0.0000 34116.3498 -149064.1924 297.9466 -183180.5422 -148967.9198 300.2014 51.7241 83.8169 558718.5630 -3.7730 -3.7242 PRESSURE: 789000 76.4348 67.9769 -58.2211 67.9782 275.508 103.408 -58.2203 103.407 237.638 GPRESSURE: 789000 73.3799 42.855 -22.74 16.1411 358.035 140.966 -90.3013 63.4748 253.036 PRESSAVG: 789000 -3.29568 -15.2593 63.8535 -15.2593 -27.254 -24.1513 63.8535 -24.1514 30.9753 GPRESSAVG: 789000 -4.30743 -15.8164 65.0673 -15.9357 -27.341 -24.5665 61.4516 -23.9503 32.1397 TIMING: 789000 CPU: 2338.7, 0.00297038/step Wall: 2338.7, 0.00297038/step, 3.47451 hours remaining, 206.449219 MB of memory in use. ENERGY: 789000 742.6622 2047.4899 1961.2062 104.1898 -206482.5460 18377.0071 0.0000 0.0000 34372.4203 -148877.5705 300.1829 -183249.9908 -148788.7665 299.9270 196.5268 228.1503 558556.3885 0.1419 0.1638 PRESSURE: 789200 -230.749 79.2059 22.2347 79.2048 243.309 -181.523 22.2344 -181.523 97.0333 GPRESSURE: 789200 -161.206 85.1322 75.875 82.5464 215.768 -213.428 -48.0282 -134.088 148.754 PRESSAVG: 789200 1.06405 3.76042 -25.9269 3.76052 7.95028 -19.5937 -25.9268 -19.5938 -16.5952 GPRESSAVG: 789200 0.522123 2.81431 -26.3005 4.68729 8.32559 -21.446 -23.214 -19.2545 -16.5631 TIMING: 789200 CPU: 2339.3, 0.00296462/step Wall: 2339.3, 0.00296462/step, 3.46762 hours remaining, 206.449219 MB of memory in use. ENERGY: 789200 734.9331 2092.4205 1970.1314 113.6081 -206093.4227 17851.7455 0.0000 0.0000 34498.5753 -148832.0087 301.2846 -183330.5840 -148743.7365 300.5278 36.5310 67.7717 557851.4201 -2.5270 -2.5718 PRESSURE: 789400 10.4464 181.751 -212.044 181.751 -54.6731 -11.8548 -212.043 -11.8554 -13.3581 GPRESSURE: 789400 14.1876 158.001 -191.969 206.572 5.45927 29.4338 -226.74 -39.8332 35.6115 PRESSAVG: 789400 -22.8719 -9.75 73.1335 -9.75006 44.6586 14.0942 73.1334 14.0943 -44.3947 GPRESSAVG: 789400 -22.1151 -8.36097 73.6381 -10.4057 44.3005 15.8261 72.6884 13.3037 -44.6145 TIMING: 789400 CPU: 2339.89, 0.00295886/step Wall: 2339.89, 0.00295886/step, 3.46071 hours remaining, 206.449219 MB of memory in use. ENERGY: 789400 752.2299 2094.6597 1944.8530 127.3365 -205525.7153 17679.6594 0.0000 0.0000 34281.4964 -148645.4805 299.3888 -182926.9769 -148555.3537 301.0611 -19.1949 18.4195 558423.5038 -7.5360 -7.4764 PRESSURE: 789600 -225.966 158.476 -162.047 158.477 82.3976 -66.6292 -162.047 -66.6291 64.3397 GPRESSURE: 789600 -205.315 91.7371 -148.692 175.01 164.287 -44.8788 -91.4753 -101.924 44.2018 PRESSAVG: 789600 -39.6011 22.9982 -33.8044 22.9981 45.6325 -1.91615 -33.8044 -1.91624 -58.2493 GPRESSAVG: 789600 -40.0947 22.028 -34.3727 22.6913 45.8729 -1.01582 -34.5545 -0.858151 -57.9153 TIMING: 789600 CPU: 2340.48, 0.00295202/step Wall: 2340.48, 0.00295202/step, 3.45255 hours remaining, 206.449219 MB of memory in use. ENERGY: 789600 726.7502 2111.8483 1948.4068 104.1288 -205217.7327 17422.6823 0.0000 0.0000 34293.4909 -148610.4254 299.4936 -182903.9163 -148521.7469 300.2178 -26.4094 1.0581 558309.4557 -17.4060 -17.3790 PRESSURE: 789800 -38.2689 65.9594 -4.96308 65.9585 82.8176 -41.0158 -4.96325 -41.0157 239.835 GPRESSURE: 789800 -44.3184 -68.2147 16.7534 131.757 162.947 20.5641 -45.5846 -26.826 257.209 PRESSAVG: 789800 -54.741 9.90351 -72.2468 9.90355 69.8395 -24.0861 -72.2468 -24.086 -32.1301 GPRESSAVG: 789800 -54.5044 10.7141 -71.6752 9.16912 69.3731 -24.8905 -72.3805 -23.2976 -32.4178 TIMING: 789800 CPU: 2341.07, 0.00298088/step Wall: 2341.07, 0.00298088/step, 3.48614 hours remaining, 206.449219 MB of memory in use. ENERGY: 789800 735.6219 2091.9907 1988.9182 116.8743 -205668.2795 17649.0550 0.0000 0.0000 34399.0536 -148686.7658 300.4155 -183085.8195 -148589.6536 300.5401 94.7945 125.2790 556357.9764 -5.6772 -5.8497 PRESSURE: 790000 21.994 -47.2634 12.1292 -47.265 -144.267 -233.115 12.1292 -233.116 328.811 GPRESSURE: 790000 87.9468 -62.7507 2.69976 -4.22132 -142.678 -178.756 40.5518 -293.695 365.182 PRESSAVG: 790000 -47.1004 -6.49253 38.4308 -6.49253 0.267703 -24.6097 38.4308 -24.6097 35.608 GPRESSAVG: 790000 -45.4954 -5.45889 39.5361 -5.36494 -0.752073 -22.9689 37.517 -27.6793 35.1257 TIMING: 790000 CPU: 2341.67, 0.0029833/step Wall: 2341.67, 0.0029833/step, 3.48881 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: 790000 781.2623 2084.0194 1961.8489 114.6936 -206180.0424 17873.0837 0.0000 0.0000 34643.9376 -148721.1970 302.5541 -183365.1345 -148621.6565 300.8031 68.8462 103.4836 556609.9867 -3.7416 -3.7073 PRESSURE: 790200 -157.774 31.8962 -101.963 31.8957 -137.727 -184.684 -101.964 -184.685 -55.7424 GPRESSURE: 790200 -159.777 105.134 -120.125 31.9137 -105.988 -302.479 -98.6054 -83.4019 3.05292 PRESSAVG: 790200 12.2543 53.3949 21.9577 53.3949 -45.9506 -37.7308 21.9576 -37.7307 19.9807 GPRESSAVG: 790200 11.784 51.4959 20.7194 54.9424 -46.151 -40.5015 24.2605 -35.0602 20.0799 TIMING: 790200 CPU: 2342.26, 0.00295082/step Wall: 2342.26, 0.00295082/step, 3.45066 hours remaining, 206.449219 MB of memory in use. ENERGY: 790200 805.5443 2116.7916 1987.7228 112.6698 -205953.9441 17769.3763 0.0000 0.0000 34499.5673 -148662.2721 301.2933 -183161.8394 -148575.9128 301.2830 -117.0810 -87.5706 558387.4045 -4.5719 -4.7623 PRESSURE: 790400 -463.006 263.872 28.5919 263.87 -197.415 -215.297 28.5917 -215.297 -195.912 GPRESSURE: 790400 -471.948 279.873 87.312 228.414 -129.719 -176.894 -44.5347 -199.567 -157 PRESSAVG: 790400 -51.2841 5.50743 23.6743 5.50748 25.8959 -0.932601 23.6743 -0.932565 32.2494 GPRESSAVG: 790400 -52.163 6.86384 24.4229 2.07989 25.6476 -0.0518573 21.72 -1.2129 32.8728 TIMING: 790400 CPU: 2342.86, 0.00297426/step Wall: 2342.86, 0.00297426/step, 3.4779 hours remaining, 206.449219 MB of memory in use. ENERGY: 790400 763.9637 2118.5662 1969.1728 102.8828 -205288.8791 17461.9114 0.0000 0.0000 34184.6132 -148687.7690 298.5427 -182872.3822 -148591.5603 300.6897 -285.4444 -252.8889 559373.8505 2.2871 2.1191 PRESSURE: 790600 30.0902 -78.179 -13.5058 -78.1789 74.7345 36.314 -13.5049 36.314 36.5032 GPRESSURE: 790600 57.0651 -79.3528 -23.1149 -15.6329 61.463 -0.752865 -20.2715 66.967 121.147 PRESSAVG: 790600 -91.6189 78.9089 41.2704 78.9088 -39.3834 -51.0749 41.2703 -51.0749 101.568 GPRESSAVG: 790600 -92.5671 78.13 41.378 81.2357 -38.4507 -52.6209 43.1084 -51.1305 101.574 TIMING: 790600 CPU: 2343.45, 0.00295261/step Wall: 2343.45, 0.00295261/step, 3.45242 hours remaining, 206.449219 MB of memory in use. ENERGY: 790600 741.2427 2042.7693 1972.5591 96.5796 -205710.1696 17847.8881 0.0000 0.0000 34238.9659 -148770.1650 299.0174 -183009.1308 -148667.9724 300.3221 47.1093 79.8918 558992.5504 -9.8114 -9.8146 PRESSURE: 790800 231.344 43.0352 -56.5761 43.034 -267.418 -76.3483 -56.5758 -76.3488 -8.46505 GPRESSURE: 790800 231.757 32.0447 -1.72123 61.7953 -190.022 42.8466 -140.051 -86.5161 11.7641 PRESSAVG: 790800 -15.5101 15.9835 7.92497 15.9834 -22.1368 -12.8099 7.92501 -12.8098 64.5327 GPRESSAVG: 790800 -15.0989 16.4514 6.719 16.2942 -21.7293 -9.12426 7.11713 -15.3653 64.313 TIMING: 790800 CPU: 2344.03, 0.00293709/step Wall: 2344.03, 0.00293709/step, 3.43411 hours remaining, 206.449219 MB of memory in use. ENERGY: 790800 719.1707 2032.2780 1972.3115 112.4643 -205531.3459 17657.5903 0.0000 0.0000 34229.5780 -148807.9531 298.9354 -183037.5311 -148714.7782 300.1749 -14.8461 17.8331 558088.9177 8.9619 9.1616 PRESSURE: 791000 214.332 -93.3204 28.5687 -93.3195 195.91 -48.7627 28.5681 -48.7642 352.066 GPRESSURE: 791000 247.192 -149.272 -48.4705 -129.621 217.676 -0.888 71.0105 23.6201 397.13 PRESSAVG: 791000 -30.0759 22.0063 23.2385 22.0063 -34.4871 -21.4363 23.2385 -21.4363 37.3074 GPRESSAVG: 791000 -31.157 21.607 22.9872 22.4153 -35.4375 -23.4953 23.3201 -17.7672 39.3719 TIMING: 791000 CPU: 2344.62, 0.00294542/step Wall: 2344.62, 0.00294541/step, 3.44368 hours remaining, 206.449219 MB of memory in use. ENERGY: 791000 700.4515 2071.4582 1962.9183 108.3805 -206058.8952 17981.5550 0.0000 0.0000 34350.0121 -148884.1195 299.9872 -183234.1316 -148781.1955 299.8139 254.1028 287.3324 557717.6011 -9.0852 -9.0742 PRESSURE: 791200 137.438 112.179 -45.4446 112.179 -66.5784 24.4729 -45.4444 24.4732 -33.6301 GPRESSURE: 791200 201.548 106.515 31.6828 211.398 -14.8221 74.1451 11.6012 -28.1512 -50.3819 PRESSAVG: 791200 12.1864 -18.6222 5.59876 -18.6221 -11.2842 -5.15316 5.59881 -5.15315 -20.4403 GPRESSAVG: 791200 12.9603 -18.2836 7.65867 -18.7665 -11.0107 -2.96587 7.88184 -7.22962 -21.8641 TIMING: 791200 CPU: 2345.21, 0.00293003/step Wall: 2345.21, 0.00293003/step, 3.42553 hours remaining, 206.449219 MB of memory in use. ENERGY: 791200 763.7257 2089.2034 1954.8021 128.5916 -205771.7867 17692.9767 0.0000 0.0000 34256.4336 -148886.0537 299.1700 -183142.4873 -148796.7691 299.7225 12.4100 45.4481 557560.5580 -6.5127 -6.6382 PRESSURE: 791400 68.5889 -89.2554 37.8139 -89.2554 161.185 -75.8271 37.814 -75.8271 199.044 GPRESSURE: 791400 97.5099 -109.275 32.242 -65.2262 142.275 -86.5515 50.1165 -66.4431 294.817 PRESSAVG: 791400 -22.8693 -1.52235 -41.6604 -1.52237 -23.9265 -2.40478 -41.6602 -2.4048 8.14128 GPRESSAVG: 791400 -21.9287 -2.55789 -42.6537 -0.917502 -24.316 -4.76615 -44.2204 -0.165256 7.97689 TIMING: 791400 CPU: 2345.8, 0.00296085/step Wall: 2345.8, 0.00296085/step, 3.4614 hours remaining, 206.449219 MB of memory in use. ENERGY: 791400 737.1392 2119.0374 1964.5266 102.8409 -206347.1604 18110.1686 0.0000 0.0000 34101.8434 -149211.6044 297.8199 -183313.4478 -149111.3150 299.0976 142.9393 178.2007 558363.0685 -12.8848 -12.7559 PRESSURE: 791600 -524.251 -185.168 -180.178 -185.169 60.5711 158.861 -180.178 158.861 70.5063 GPRESSURE: 791600 -496.325 -189.874 -189.591 -175.467 114.877 164.009 -171.247 24.4103 83.4118 PRESSAVG: 791600 -52.1553 56.2372 13.8781 56.2372 13.891 -25.966 13.8782 -25.9662 3.43647 GPRESSAVG: 791600 -50.8582 57.0281 11.7916 55.0296 12.6324 -24.9532 14.7435 -27.9137 3.20727 TIMING: 791600 CPU: 2346.39, 0.00294112/step Wall: 2346.39, 0.00294112/step, 3.43817 hours remaining, 206.449219 MB of memory in use. ENERGY: 791600 778.1079 2130.3057 1958.8219 110.0452 -205665.1965 17453.0598 0.0000 0.0000 34418.7441 -148816.1119 300.5875 -183234.8560 -148720.3831 299.5762 -131.0580 -99.3453 557718.2351 -11.6093 -11.6728 PRESSURE: 791800 -82.0759 -108.745 -112.081 -108.745 74.9791 -6.58489 -112.081 -6.58414 -113.883 GPRESSURE: 791800 -3.50865 -42.9718 -94.7203 -30.1983 34.227 20.8643 -21.6498 32.8616 -51.727 PRESSAVG: 791800 53.301 -19.9372 55.6673 -19.9372 10.6535 10.7042 55.6673 10.7041 -0.214341 GPRESSAVG: 791800 52.7424 -19.4352 55.6717 -19.0833 12.4964 12.0106 56.4015 11.5738 -1.56446 TIMING: 791800 CPU: 2346.98, 0.00294868/step Wall: 2346.98, 0.00294868/step, 3.44684 hours remaining, 206.449219 MB of memory in use. ENERGY: 791800 749.6066 2171.7993 1938.7967 103.2370 -206435.6932 18036.0302 0.0000 0.0000 34384.7768 -149051.4467 300.2908 -183436.2235 -148950.4230 300.0385 -40.3266 -7.0029 559943.2905 21.2467 21.2248 PRESSURE: 792000 -201.541 -20.085 133.914 -20.0852 -173.152 -21.0475 133.914 -21.049 -129.681 GPRESSURE: 792000 -127.825 29.7529 130.377 11.3859 -165.087 54.3696 96.6947 -140.32 -112.186 PRESSAVG: 792000 -9.42682 49.2222 16.6156 49.2222 6.00754 53.3389 16.6156 53.339 16.5136 GPRESSAVG: 792000 -9.65491 48.1794 17.1321 50.4267 4.41726 52.4409 16.2559 52.5875 17.8163 TIMING: 792000 CPU: 2347.57, 0.00295396/step Wall: 2347.57, 0.00295396/step, 3.45285 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: 792000 736.2294 2137.6802 1963.1418 117.5491 -206087.0716 17613.9029 0.0000 0.0000 34540.7609 -148977.8073 301.6531 -183518.5682 -148877.4628 299.9964 -168.1248 -135.0327 558581.0768 4.3648 4.1929 PRESSURE: 792200 105.526 -60.7427 -14.0496 -60.7428 33.7945 41.0936 -14.05 41.0933 31.2851 GPRESSURE: 792200 146.723 -113.903 -19.2112 -100.087 120.269 75.4327 41.1909 40.7403 13.6502 PRESSAVG: 792200 63.8258 26.0319 -1.53263 26.0318 -58.6306 -27.0964 -1.53254 -27.0964 35.6908 GPRESSAVG: 792200 62.6005 25.9276 -1.0654 23.5434 -57.5955 -27.5556 0.418345 -25.6406 36.0735 TIMING: 792200 CPU: 2348.17, 0.00297972/step Wall: 2348.17, 0.00297972/step, 3.48279 hours remaining, 206.449219 MB of memory in use. ENERGY: 792200 732.1208 2098.7139 1954.3548 131.1247 -205967.3370 17803.2321 0.0000 0.0000 34359.3719 -148888.4188 300.0689 -183247.7907 -148799.9825 300.4736 56.8685 93.5476 558103.9963 13.6287 13.6928 LDB: ============= START OF LOAD BALANCING ============== 2351.6 LDB: ============== END OF LOAD BALANCING =============== 2351.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2351.6 LDB: ============= START OF LOAD BALANCING ============== 2351.9 LDB: Largest compute 4820 load 0.031173 is 26.5% of average load 0.117852 LDB: Average compute 0.001726 is 1.5% of average load 0.117852 LDB: TIME 2351.9 LOAD: AVG 0.117852 MAX 0.197521 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 2351.9 LOAD: AVG 0.117852 MAX 0.197521 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 2351.9 LOAD: AVG 0.117852 MAX 0.197521 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: ============== END OF LOAD BALANCING =============== 2351.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2351.91 PRESSURE: 792400 123.088 -163.044 -85.4398 -163.044 -145.823 -111.047 -85.4398 -111.046 279.123 GPRESSURE: 792400 172.189 -129.012 -199.801 -103.013 -118.741 -82.5217 -42.9135 -186.647 295.305 PRESSAVG: 792400 14.2639 15.5352 -19.7772 15.5351 -38.5401 -59.0773 -19.7772 -59.0774 -17.0995 GPRESSAVG: 792400 15.0663 17.1671 -19.5355 17.6875 -38.8813 -58.0528 -22.0308 -59.882 -17.8131 TIMING: 792400 CPU: 2348.78, 0.00304669/step Wall: 2348.78, 0.00304668/step, 3.5609 hours remaining, 207.988281 MB of memory in use. ENERGY: 792400 751.1132 2096.8432 1974.3132 108.3570 -206199.9747 17916.4943 0.0000 0.0000 34294.0733 -149058.7804 299.4987 -183352.8538 -148961.4194 300.1095 85.4627 116.2510 557316.9503 -13.7919 -13.8760 PRESSURE: 792600 153.841 40.9381 75.1975 40.938 110.078 75.8051 75.1984 75.8062 288.372 GPRESSURE: 792600 172.327 26.2755 132.9 56.028 182.746 -59.3618 28.7875 54.9865 305.778 PRESSAVG: 792600 -19.1272 30.8077 -29.6891 30.8076 8.05471 -73.6862 -29.6891 -73.6862 8.37789 GPRESSAVG: 792600 -19.2147 31.5203 -31.3999 29.1604 8.02854 -74.8606 -27.8815 -74.365 8.19254 TIMING: 792600 CPU: 2349.37, 0.00298942/step Wall: 2349.37, 0.00298942/step, 3.4938 hours remaining, 208.058594 MB of memory in use. ENERGY: 792600 746.4452 2063.2512 1966.9577 107.3797 -206453.9948 18206.2569 0.0000 0.0000 34368.9750 -148994.7290 300.1528 -183363.7040 -148895.9754 299.5558 184.0971 220.2836 557975.3922 -0.8982 -0.9979 PRESSURE: 792800 -304.515 -57.8506 -133.202 -57.8498 -155.376 -67.2762 -133.201 -67.2776 -182.148 GPRESSURE: 792800 -318.557 -75.7016 -103.336 11.9888 -88.0762 -30.0462 -119.865 -67.9862 -132.116 PRESSAVG: 792800 -10.5496 -33.6908 13.6354 -33.6908 -51.9852 -40.8307 13.6353 -40.8307 15.1184 GPRESSAVG: 792800 -10.7278 -34.3728 15.9075 -34.8647 -52.1237 -40.9603 12.6417 -39.4354 15.8924 TIMING: 792800 CPU: 2349.97, 0.00296218/step Wall: 2349.97, 0.00296218/step, 3.4618 hours remaining, 208.058594 MB of memory in use. ENERGY: 792800 798.6256 2117.9469 1954.5875 115.6141 -205761.8192 17536.2078 0.0000 0.0000 34340.4029 -148898.4344 299.9033 -183238.8373 -148799.0012 300.0882 -214.0133 -179.5831 559601.8918 -15.8054 -15.6530 PRESSURE: 793000 -100.374 88.9717 10.2584 88.9715 -269.087 36.5962 10.2591 36.5971 88.9199 GPRESSURE: 793000 -63.9309 138.076 112.298 3.80017 -214.489 -18.2966 -113.535 70.1671 105.915 PRESSAVG: 793000 23.6898 -6.65727 56.4608 -6.65724 -40.1429 5.20775 56.4608 5.20776 34.3313 GPRESSAVG: 793000 24.9636 -7.10308 56.1703 -5.1429 -40.3242 5.59421 55.0961 6.28345 33.5249 TIMING: 793000 CPU: 2350.56, 0.00295981/step Wall: 2350.56, 0.00295981/step, 3.45887 hours remaining, 208.058594 MB of memory in use. ENERGY: 793000 790.2151 2115.4646 1925.6921 120.2696 -205593.2175 17575.2773 0.0000 0.0000 34105.9595 -148960.3394 297.8558 -183066.2989 -148871.8511 300.6895 -93.5137 -57.5015 557827.7390 5.9594 6.0548 PRESSURE: 793200 -155.78 156.963 52.1304 156.964 -84.4963 -147.485 52.1304 -147.484 130.916 GPRESSURE: 793200 -96.3014 81.7276 -8.52935 233.363 -93.9628 -205.895 27.0151 -162.615 173.651 PRESSAVG: 793200 -55.4738 71.7543 -16.6749 71.7543 43.6947 3.87512 -16.6749 3.87519 22.1933 GPRESSAVG: 793200 -55.8821 71.3498 -16.0712 71.2854 44.3211 4.60021 -13.9213 0.982893 22.1009 TIMING: 793200 CPU: 2351.15, 0.0029586/step Wall: 2351.15, 0.0029586/step, 3.45729 hours remaining, 208.058594 MB of memory in use. ENERGY: 793200 779.0344 2031.2997 1980.1169 113.6777 -205713.6348 17679.3520 0.0000 0.0000 34237.9828 -148892.1712 299.0088 -183130.1540 -148788.1704 299.9122 -36.4532 -5.5377 559411.5602 3.4714 3.5133 PRESSURE: 793400 -100.505 -23.1443 6.216 -23.1443 -12.5136 157.237 6.21601 157.238 -173 GPRESSURE: 793400 -76.1868 25.9747 50.2125 -128.07 -46.8021 102.86 -31.3793 154.614 -73.133 PRESSAVG: 793400 -67.4956 93.631 -22.1502 93.6311 53.4924 -16.6462 -22.1503 -16.6462 53.8076 GPRESSAVG: 793400 -67.4587 94.6912 -22.5111 94.8244 53.8668 -17.869 -23.5595 -15.2305 53.9378 TIMING: 793400 CPU: 2351.74, 0.002966/step Wall: 2351.74, 0.002966/step, 3.46577 hours remaining, 208.058594 MB of memory in use. ENERGY: 793400 796.6027 2098.4724 1940.2657 103.8979 -206254.4936 17805.6619 0.0000 0.0000 34345.5411 -149164.0519 299.9482 -183509.5930 -149070.3920 299.9449 -95.3396 -65.3740 557408.1747 13.2681 13.4486 PRESSURE: 793600 149.792 178.555 198.337 178.554 135.112 -164.092 198.339 -164.092 145.456 GPRESSURE: 793600 200.956 195.007 219.262 262.26 143.583 -111.605 114.149 -240.3 186.628 PRESSAVG: 793600 -26.701 42.5306 28.0415 42.5306 35.8817 9.8842 28.0415 9.8842 26.1298 GPRESSAVG: 793600 -26.53 41.0026 26.3013 41.6472 34.3196 11.2984 28.4904 7.91763 28.1183 TIMING: 793600 CPU: 2352.33, 0.00295583/step Wall: 2352.33, 0.00295583/step, 3.45372 hours remaining, 208.058594 MB of memory in use. ENERGY: 793600 762.0005 2064.4460 1975.9591 109.4952 -206411.9560 18128.9964 0.0000 0.0000 34147.7790 -149223.2797 298.2210 -183371.0587 -149124.1443 298.9153 143.4532 177.0554 558873.9750 11.7702 11.9693 PRESSURE: 793800 -25.8121 -254.535 -129.658 -254.535 -131.973 20.1272 -129.658 20.1254 45.9332 GPRESSURE: 793800 14.5203 -250.878 -169.091 -219.227 -139.417 9.42588 -122.053 -31.0618 121.235 PRESSAVG: 793800 -58.7119 50.2037 25.7007 50.2037 -18.9091 -51.4408 25.7007 -51.4408 34.0472 GPRESSAVG: 793800 -58.6083 49.6552 26.9612 52.1564 -18.7532 -52.2473 26.6425 -51.5815 33.5944 TIMING: 793800 CPU: 2352.92, 0.00294875/step Wall: 2352.92, 0.00294875/step, 3.44529 hours remaining, 208.058594 MB of memory in use. ENERGY: 793800 736.8249 2105.6969 1960.2833 107.8302 -206287.7973 17744.0405 0.0000 0.0000 34312.8925 -149320.2291 299.6630 -183633.1216 -149225.0194 299.1019 -37.2838 -1.2206 557709.9084 -14.5246 -14.5890 PRESSURE: 794000 -163.368 25.8566 137.595 25.8562 219.114 6.50052 137.596 6.50013 -179.449 GPRESSURE: 794000 -66.1087 40.1723 214.78 -25.2553 196.162 -3.14974 76.8508 10.3696 -149.388 PRESSAVG: 794000 -83.175 -31.8917 32.231 -31.8918 20.2487 -38.4125 32.231 -38.4125 69.3055 GPRESSAVG: 794000 -83.2138 -30.3526 32.5293 -32.9158 21.7047 -39.1156 33.8568 -37.8996 67.7508 TIMING: 794000 CPU: 2353.51, 0.00294947/step Wall: 2353.51, 0.00294947/step, 3.44597 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: 794000 715.7900 2154.7248 1952.5791 119.5641 -206465.5127 17632.0036 0.0000 0.0000 34434.8631 -149455.9880 300.7282 -183890.8511 -149357.7382 299.0270 -41.2342 -6.4450 555608.2113 2.1264 2.0806 PRESSURE: 794200 -117.371 -10.9467 -93.3308 -10.9471 -5.75153 -109.468 -93.3308 -109.469 -154.657 GPRESSURE: 794200 -79.3644 -102.549 -27.2513 15.1243 34.3459 -134.749 -115.77 -57.7509 -115.444 PRESSAVG: 794200 -36.3048 2.11437 -7.31227 2.1144 37.2665 -39.0029 -7.31224 -39.0029 -7.07042 GPRESSAVG: 794200 -35.3953 0.936568 -7.68969 2.3461 36.1315 -38.3843 -9.68834 -39.2198 -6.51556 TIMING: 794200 CPU: 2354.11, 0.00296298/step Wall: 2354.11, 0.00296298/step, 3.46159 hours remaining, 208.058594 MB of memory in use. ENERGY: 794200 774.5502 2117.0716 1971.6735 124.9597 -206398.5864 17811.7262 0.0000 0.0000 33953.2023 -149645.4029 296.5218 -183598.6052 -149540.9724 298.3303 -92.5931 -53.4874 557207.7733 -2.0362 -1.9264 PRESSURE: 794400 -59.0309 -66.6216 160.801 -66.6207 -178.789 -130.307 160.8 -130.307 95.8771 GPRESSURE: 794400 -64.5897 -23.8852 117.383 -36.4699 -142.616 -101.233 144.207 -145.458 179.397 PRESSAVG: 794400 -11.6088 16.4521 7.64679 16.4521 51.9266 -33.7706 7.6468 -33.7706 -51.6412 GPRESSAVG: 794400 -13.4356 17.1927 9.28978 18.625 52.4342 -35.4039 6.06525 -33.4987 -50.8539 TIMING: 794400 CPU: 2354.7, 0.00297734/step Wall: 2354.7, 0.00297734/step, 3.4782 hours remaining, 208.058594 MB of memory in use. ENERGY: 794400 734.3016 2036.4619 1993.2517 114.4258 -206425.6997 17816.1744 0.0000 0.0000 34153.8139 -149577.2703 298.2738 -183731.0842 -149478.8598 298.4976 -47.3144 -9.2695 557252.2033 -3.7745 -3.9518 PRESSURE: 794600 -132.689 -121.069 95.9501 -121.069 -76.8447 56.3667 95.9501 56.3674 -174.004 GPRESSURE: 794600 -149.746 -106.8 64.7001 -132.701 -20.6001 32.0518 144.153 46.8483 -114.025 PRESSAVG: 794600 -45.2692 13.2085 12.8037 13.2085 -13.7127 45.9256 12.8037 45.9255 5.015 GPRESSAVG: 794600 -45.222 12.1722 11.0066 13.0492 -12.5765 48.3546 14.517 45.9595 3.63011 TIMING: 794600 CPU: 2355.29, 0.00295764/step Wall: 2355.29, 0.00295764/step, 3.45502 hours remaining, 208.058594 MB of memory in use. ENERGY: 794600 744.8162 2115.6907 1956.7335 122.9456 -206216.8653 17674.5411 0.0000 0.0000 34080.4412 -149521.6970 297.6330 -183602.1382 -149425.2726 297.4446 -127.8459 -94.7903 558367.0238 -17.9889 -18.0561 PRESSURE: 794800 -60.9825 73.9604 -90.1701 73.9595 -219.633 -143.602 -90.1677 -143.602 -128.302 GPRESSURE: 794800 -82.4667 64.0435 -92.3436 71.9549 -126.271 -242.212 -128.708 -92.0562 -106.532 PRESSAVG: 794800 21.6909 37.9387 11.0475 37.9386 -35.0757 -35.2878 11.0475 -35.2879 -5.18676 GPRESSAVG: 794800 21.9434 40.0802 12.0212 36.0241 -36.9568 -36.4659 11.4215 -34.4915 -3.35645 TIMING: 794800 CPU: 2355.89, 0.00296995/step Wall: 2355.89, 0.00296995/step, 3.46923 hours remaining, 208.058594 MB of memory in use. ENERGY: 794800 766.1270 2129.1573 2007.2864 117.9024 -206274.2766 17670.4472 0.0000 0.0000 34134.9877 -149448.3686 298.1093 -183583.3563 -149358.9491 298.3877 -136.3057 -105.0899 558453.7565 -6.1905 -6.1233 PRESSURE: 795000 -132.244 -128.339 86.221 -128.339 -293.481 -44.1456 86.2223 -44.1454 -71.7695 GPRESSURE: 795000 -102.001 -81.504 70.7373 -126.341 -265.476 -74.9285 86.6659 -21.0744 -31.6787 PRESSAVG: 795000 8.94602 70.1284 31.046 70.1283 -49.4465 -18.7774 31.046 -18.7774 39.3223 GPRESSAVG: 795000 8.97049 69.9321 29.2319 70.1009 -49.4168 -16.1355 30.6522 -20.4987 38.2724 TIMING: 795000 CPU: 2356.48, 0.00295065/step Wall: 2356.48, 0.00295065/step, 3.44652 hours remaining, 208.058594 MB of memory in use. ENERGY: 795000 790.4760 2047.5193 1968.9723 115.0061 -205839.4867 17596.2862 0.0000 0.0000 33999.9545 -149321.2723 296.9301 -183321.2268 -149219.8850 298.4100 -165.8315 -133.0520 558608.1865 -0.3927 -0.7246 PRESSURE: 795200 -422.772 -47.4296 -38.1531 -47.4284 -140.252 90.4347 -38.1513 90.4349 -351.834 GPRESSURE: 795200 -353.128 -31.3807 -6.90205 -34.3081 -176.365 56.7671 33.1424 92.5708 -278.096 PRESSAVG: 795200 13.7822 -29.9789 18.1773 -29.9788 16.9367 32.2326 18.1774 32.2327 -5.99641 GPRESSAVG: 795200 14.0617 -32.5495 19.7651 -27.527 17.1776 29.8832 18.4911 34.2747 -6.65542 TIMING: 795200 CPU: 2357.06, 0.00293493/step Wall: 2357.06, 0.00293493/step, 3.428 hours remaining, 208.058594 MB of memory in use. ENERGY: 795200 795.3966 2082.9658 1943.0412 113.7457 -205908.8407 17479.1110 0.0000 0.0000 34147.5546 -149347.0260 298.2191 -183494.5806 -149249.8281 298.6607 -304.9525 -269.1962 558820.4836 8.2408 8.1946 PRESSURE: 795400 -321.289 -3.09655 107.342 -3.09732 -165.913 62.4636 107.343 62.4656 52.9637 GPRESSURE: 795400 -263.909 -89.1214 177.832 4.98302 -97.7099 10.0829 70.9192 77.6581 10.9795 PRESSAVG: 795400 -60.3718 24.0782 -37.5156 24.0782 6.10127 23.9636 -37.5155 23.9636 30.9941 GPRESSAVG: 795400 -61.0869 26.5909 -38.334 21.7475 6.10848 24.5616 -38.7828 23.1962 31.4281 TIMING: 795400 CPU: 2357.65, 0.00291809/step Wall: 2357.65, 0.00291809/step, 3.40817 hours remaining, 208.058594 MB of memory in use. ENERGY: 795400 769.3539 2053.6027 1948.1216 136.7914 -206188.1865 17725.2174 0.0000 0.0000 34046.4857 -149508.6138 297.3364 -183555.0994 -149410.8793 298.4183 -144.7464 -116.8796 558522.9491 -7.7588 -7.8501 PRESSURE: 795600 -275.948 -32.6223 97.7951 -32.6225 -147.575 45.0394 97.794 45.0386 40.3487 GPRESSURE: 795600 -165.198 -72.6905 192.506 -45.8444 -112.037 3.08109 100.357 35.796 1.99933 PRESSAVG: 795600 21.4146 10.4724 4.5207 10.4723 -40.6858 -5.33479 4.52065 -5.33483 35.785 GPRESSAVG: 795600 21.7507 8.55189 5.2545 10.9533 -40.2776 -4.47187 6.27608 -4.83152 35.2847 TIMING: 795600 CPU: 2358.23, 0.00293403/step Wall: 2358.23, 0.00293403/step, 3.42662 hours remaining, 208.058594 MB of memory in use. ENERGY: 795600 750.9065 2098.6910 1960.0418 111.3549 -206040.8600 17495.2454 0.0000 0.0000 34233.0610 -149391.5595 298.9658 -183624.6204 -149300.4360 298.2806 -127.7248 -91.7454 557457.4959 5.5046 5.5859 PRESSURE: 795800 81.6762 -79.2341 113.69 -79.2338 -80.7807 66.3811 113.69 66.3805 154.553 GPRESSURE: 795800 141.731 -56.758 108.578 -61.1646 -53.3367 85.3275 64.7532 59.8721 163.533 PRESSAVG: 795800 23.1343 -16.3154 -7.39821 -16.3155 -49.3585 10.6816 -7.39823 10.6816 36.0635 GPRESSAVG: 795800 22.6091 -14.1105 -8.85021 -17.5264 -49.2037 10.8473 -7.80695 9.58011 36.3365 TIMING: 795800 CPU: 2358.83, 0.00295697/step Wall: 2358.83, 0.00295697/step, 3.45325 hours remaining, 208.058594 MB of memory in use. ENERGY: 795800 804.9006 2078.7557 1963.1855 119.9599 -206432.6452 17944.4837 0.0000 0.0000 34140.0860 -149381.2738 298.1539 -183521.3598 -149286.6913 298.3382 51.8163 83.9759 556962.4931 3.2798 3.2473 PRESSURE: 796000 15.2277 123.06 -38.1103 123.06 281.01 10.6479 -38.1112 10.6486 14.7943 GPRESSURE: 796000 32.4422 23.076 18.5897 205.944 317.572 1.41561 -109.908 -5.53999 69.3705 PRESSAVG: 796000 32.5381 32.5781 3.46766 32.5781 -42.516 -40.1328 3.46761 -40.1328 16.0622 GPRESSAVG: 796000 31.8212 29.9566 3.9303 32.6171 -43.0191 -41.7296 4.25393 -38.0928 17.3176 TIMING: 796000 CPU: 2359.42, 0.00297291/step Wall: 2359.42, 0.00297291/step, 3.4717 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: 796000 745.9163 2035.4493 1983.4620 116.4174 -206733.2457 18294.8169 0.0000 0.0000 34120.9398 -149436.2440 297.9867 -183557.1838 -149345.8756 298.1301 103.6773 139.7950 558431.1201 2.0281 2.0399 PRESSURE: 796200 -121.623 -209.86 29.6829 -209.86 -34.1726 -111.083 29.6825 -111.084 -511.793 GPRESSURE: 796200 -39.4093 -152.339 51.0846 -231.368 -45.1598 -100.055 -89.3869 -74.292 -491.669 PRESSAVG: 796200 -13.1664 -2.5321 9.2816 -2.53215 -0.458571 -3.54926 9.28159 -3.54928 29.3514 GPRESSAVG: 796200 -12.4238 -0.685319 9.25762 -1.91801 0.462762 -3.38474 7.12021 -5.42661 28.0692 TIMING: 796200 CPU: 2360.02, 0.00297357/step Wall: 2360.02, 0.00297357/step, 3.4723 hours remaining, 208.058594 MB of memory in use. ENERGY: 796200 785.6722 2132.3163 1955.0754 115.4974 -206257.4101 17577.2707 0.0000 0.0000 34313.7210 -149377.8570 299.6703 -183691.5780 -149278.6272 298.1351 -222.5294 -192.0795 558118.1614 5.2421 5.3694 LDB: ============= START OF LOAD BALANCING ============== 2363.44 LDB: ============== END OF LOAD BALANCING =============== 2363.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2363.44 LDB: ============= START OF LOAD BALANCING ============== 2363.74 LDB: Largest compute 4820 load 0.031352 is 26.6% of average load 0.117791 LDB: Average compute 0.001724 is 1.5% of average load 0.117791 LDB: TIME 2363.74 LOAD: AVG 0.117791 MAX 0.195675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.789 MB LDB: TIME 2363.74 LOAD: AVG 0.117791 MAX 0.195675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.863 MB LDB: TIME 2363.74 LOAD: AVG 0.117791 MAX 0.195675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2363.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2363.75 PRESSURE: 796400 53.5829 73.3023 -88.7556 73.3005 -101.623 -7.82551 -88.7546 -7.82492 -277.292 GPRESSURE: 796400 95.0233 62.4097 -125.284 -38.0719 -88.7803 3.351 9.63799 21.7982 -243.997 PRESSAVG: 796400 14.5315 15.1691 3.57163 15.1691 -19.042 24.1883 3.57166 24.1883 -20.7743 GPRESSAVG: 796400 16.1645 13.3933 2.22975 15.9826 -19.7819 25.499 5.12716 24.0492 -22.4721 TIMING: 796400 CPU: 2360.62, 0.00301394/step Wall: 2360.62, 0.00301394/step, 3.51928 hours remaining, 206.101562 MB of memory in use. ENERGY: 796400 722.4068 2081.1896 1951.5313 109.7074 -205785.5120 17562.9835 0.0000 0.0000 33995.4882 -149362.2051 296.8911 -183357.6934 -149261.7944 299.0891 -108.4441 -79.2513 557668.5454 -8.4283 -8.6965 PRESSURE: 796600 15.6803 -26.2014 165.915 -26.2029 15.2454 51.8482 165.918 51.8474 9.50345 GPRESSURE: 796600 36.412 -47.6321 162.063 -65.7183 92.4881 62.435 93.5487 48.8045 11.0183 PRESSAVG: 796600 21.5148 -24.9403 17.4133 -24.9403 -14.6618 14.5681 17.4132 14.5681 -27.6125 GPRESSAVG: 796600 19.1007 -25.2139 19.9999 -26.9728 -14.0634 12.1179 16.5439 15.9265 -26.4084 TIMING: 796600 CPU: 2361.21, 0.0029605/step Wall: 2361.21, 0.0029605/step, 3.45672 hours remaining, 206.304688 MB of memory in use. ENERGY: 796600 718.7623 2077.6992 1984.7546 100.0407 -206243.6067 17853.3149 0.0000 0.0000 34204.3136 -149304.7214 298.7148 -183509.0350 -149210.9059 298.9202 13.4764 46.6394 556941.7121 -6.9198 -7.1237 PRESSURE: 796800 -94.2215 -93.7853 -64.8002 -93.7857 52.6634 50.6433 -64.7993 50.644 112.281 GPRESSURE: 796800 -127.808 -148.355 -77.9101 -76.5178 136.412 73.4997 -56.2883 151.906 170.434 PRESSAVG: 796800 -59.255 -9.24644 -3.01908 -9.24653 60.2315 27.6985 -3.01895 27.6986 -41.9103 GPRESSAVG: 796800 -59.0339 -9.10215 -4.31254 -7.12178 59.6868 27.9567 -2.55734 27.1378 -41.1543 TIMING: 796800 CPU: 2361.81, 0.00297938/step Wall: 2361.81, 0.00297938/step, 3.47859 hours remaining, 206.304688 MB of memory in use. ENERGY: 796800 756.5488 2083.7047 1952.1626 117.4669 -206339.5162 17821.2801 0.0000 0.0000 34344.2443 -149264.1087 299.9368 -183608.3530 -149169.2752 298.4958 23.5742 59.6794 556987.3716 -13.6446 -13.5005 PRESSURE: 797000 110.961 47.9596 -92.5476 47.9584 156.578 22.8066 -92.5474 22.8066 248.788 GPRESSURE: 797000 94.4449 63.8116 -115.603 70.6621 206.397 55.8688 -147.744 -52.9796 324.731 PRESSAVG: 797000 4.19626 -54.4389 -15.0061 -54.4389 8.399 32.5129 -15.0061 32.5129 19.0314 GPRESSAVG: 797000 5.10205 -52.5593 -12.8813 -55.4654 8.25452 30.9286 -16.6043 33.897 19.1303 TIMING: 797000 CPU: 2362.4, 0.00297634/step Wall: 2362.4, 0.00297634/step, 3.47488 hours remaining, 206.304688 MB of memory in use. ENERGY: 797000 735.8533 2113.2392 1953.3899 110.4563 -206143.1359 17866.0711 0.0000 0.0000 34211.0167 -149153.1093 298.7733 -183364.1260 -149054.2942 299.2431 172.1090 208.5246 557778.1661 10.5422 10.8290 PRESSURE: 797200 -364.649 -24.5682 24.4905 -24.5686 41.4605 -0.800573 24.491 -0.800893 76.3184 GPRESSURE: 797200 -297.43 -25.9008 41.7563 32.1159 106.148 -10.185 -5.3148 -9.10646 64.1602 PRESSAVG: 797200 -25.1169 -14.9268 33.9363 -14.9269 26.411 -27.661 33.9362 -27.661 16.1525 GPRESSAVG: 797200 -24.1727 -16.7524 31.0658 -14.4141 26.3224 -26.9311 35.3099 -28.0276 15.6186 TIMING: 797200 CPU: 2363, 0.0029697/step Wall: 2363, 0.0029697/step, 3.46695 hours remaining, 206.304688 MB of memory in use. ENERGY: 797200 720.4378 2063.6420 1973.2799 103.7173 -205876.1431 17660.1370 0.0000 0.0000 34181.4511 -149173.4781 298.5151 -183354.9291 -149078.8369 299.2056 -82.2901 -42.3738 557309.7708 5.8155 5.9228 PRESSURE: 797400 -34.486 -78.3297 -13.9429 -78.3303 181.58 -77.4971 -13.9415 -77.4973 -103.921 GPRESSURE: 797400 -55.3536 -119.488 -13.6579 -88.895 221.137 -17.4868 -8.30193 -14.4879 -23.7012 PRESSAVG: 797400 -26.2853 -31.572 9.42232 -31.572 22.0818 -9.22412 9.42233 -9.22402 -21.9761 GPRESSAVG: 797400 -25.7799 -31.5706 11.7327 -32.445 20.8709 -7.60247 9.47374 -9.38249 -21.1404 TIMING: 797400 CPU: 2363.59, 0.0029883/step Wall: 2363.59, 0.0029883/step, 3.48851 hours remaining, 206.304688 MB of memory in use. ENERGY: 797400 742.0339 2107.2974 1936.0865 115.8047 -206055.2615 17801.2373 0.0000 0.0000 34188.6446 -149164.1572 298.5779 -183352.8018 -149068.5389 298.9723 14.3910 47.3607 557768.6092 -8.7265 -8.6831 PRESSURE: 797600 -145.007 157.807 68.0806 157.809 49.0933 -62.988 68.0812 -62.9868 26.6412 GPRESSURE: 797600 -112.857 233.103 79.3321 153.476 132.431 -76.289 26.6235 -85.4752 8.74898 PRESSAVG: 797600 20.7194 -78.2991 -8.21231 -78.2991 2.06555 -42.4375 -8.21226 -42.4376 11.9921 GPRESSAVG: 797600 19.4502 -76.5464 -9.03291 -78.4998 3.07594 -44.6603 -8.76666 -42.8145 12.8581 TIMING: 797600 CPU: 2364.19, 0.0029714/step Wall: 2364.19, 0.0029714/step, 3.46862 hours remaining, 206.304688 MB of memory in use. ENERGY: 797600 732.2568 2106.2648 1984.1840 99.7735 -206003.4197 17703.9551 0.0000 0.0000 34158.0766 -149218.9089 298.3110 -183376.9855 -149118.8908 298.2440 -23.0907 9.4408 558038.0414 11.5923 11.7947 PRESSURE: 797800 -320.558 -56.0286 20.9586 -56.0297 -55.0216 -117.097 20.9578 -117.097 -130.236 GPRESSURE: 797800 -315.955 -42.1723 -45.2805 -30.9719 26.1156 9.24434 -32.2072 -125.243 -122.98 PRESSAVG: 797800 -2.28157 -17.0623 31.5843 -17.0623 0.161254 -19.6278 31.5842 -19.6277 -1.57939 GPRESSAVG: 797800 -2.67208 -18.9923 30.4453 -15.8741 2.0404 -20.2691 32.8952 -18.1058 -2.73725 TIMING: 797800 CPU: 2364.78, 0.00296213/step Wall: 2364.78, 0.00296213/step, 3.45763 hours remaining, 206.304688 MB of memory in use. ENERGY: 797800 743.1832 2062.5245 1933.3642 122.5727 -205923.9303 17470.7100 0.0000 0.0000 34207.4030 -149384.1727 298.7418 -183591.5756 -149292.3643 298.5796 -168.6052 -137.6065 557397.6175 -1.2332 -1.1230 PRESSURE: 798000 96.3455 -125.777 -64.9521 -125.778 -307.999 -162.725 -64.9527 -162.726 77.9697 GPRESSURE: 798000 89.5045 -169.084 -6.3941 -101.112 -207.364 -223.667 -122.585 -115.276 97.5099 PRESSAVG: 798000 -51.26 15.9043 6.50536 15.9044 12.2713 -40.741 6.50546 -40.741 -4.84641 GPRESSAVG: 798000 -51.0175 16.0839 5.44688 15.0933 11.5035 -40.7111 4.95072 -41.6795 -5.00043 TIMING: 798000 CPU: 2365.37, 0.00295055/step Wall: 2365.37, 0.00295055/step, 3.44395 hours remaining, 206.304688 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: 798000 741.1776 2077.7209 1970.1939 112.1418 -205925.3212 17529.8112 0.0000 0.0000 34292.2099 -149202.0659 299.4824 -183494.2759 -149096.7888 299.0139 -44.5613 -6.7833 557209.8607 -14.6117 -14.8381 PRESSURE: 798200 -57.7023 -77.3413 -62.3556 -77.3414 -4.23609 -95.4236 -62.3559 -95.4243 -118.949 GPRESSURE: 798200 -40.8641 26.7818 -64.6831 -17.5612 1.53067 -89.7763 -12.4573 -110.571 -51.9086 PRESSAVG: 798200 33.5967 13.1924 37.9923 13.1924 -18.9346 -19.0018 37.9922 -19.0018 5.45069 GPRESSAVG: 798200 33.6286 13.7299 37.8452 12.4668 -20.0898 -17.9867 40.2324 -17.951 5.92872 TIMING: 798200 CPU: 2365.96, 0.00296566/step Wall: 2365.96, 0.00296566/step, 3.46142 hours remaining, 206.304688 MB of memory in use. ENERGY: 798200 743.7468 2068.7468 1961.7830 112.0553 -205857.0038 17483.5264 0.0000 0.0000 34390.2993 -149096.8462 300.3390 -183487.1455 -149002.4231 299.6572 -60.2957 -30.4140 557257.4859 6.7043 6.4892 PRESSURE: 798400 -374.884 128.311 -157.611 128.311 -56.7566 27.8648 -157.612 27.8649 32.8582 GPRESSURE: 798400 -328.376 191.339 -113.995 70.9818 -54.2282 -31.9752 -209.994 122.436 81.7176 PRESSAVG: 798400 13.1862 35.6393 31.2085 35.6393 -30.1276 -9.84757 31.2086 -9.8476 -4.12982 GPRESSAVG: 798400 11.9545 36.3167 33.6039 36.1096 -29.8034 -9.67466 28.6773 -12.0848 -3.12392 TIMING: 798400 CPU: 2366.55, 0.00295335/step Wall: 2366.55, 0.00295335/step, 3.44689 hours remaining, 206.304688 MB of memory in use. ENERGY: 798400 744.4678 2092.9781 1957.7243 120.9778 -205537.9187 17370.3063 0.0000 0.0000 34266.9252 -148984.5391 299.2616 -183251.4643 -148882.7099 299.6155 -132.9274 -100.2957 558912.6018 -7.0237 -6.9909 PRESSURE: 798600 54.678 33.7578 58.558 33.7584 -302.279 90.4936 58.5581 90.4928 -54.6073 GPRESSURE: 798600 106.674 34.5829 77.8569 2.04163 -253.376 94.4055 -0.995528 116.972 -57.8387 PRESSAVG: 798600 3.89071 7.97902 8.76263 7.97896 30.4629 43.8859 8.76259 43.8858 -38.4521 GPRESSAVG: 798600 3.77404 9.11149 10.0982 6.87909 30.8719 41.176 8.46636 45.9631 -38.5826 TIMING: 798600 CPU: 2367.15, 0.00295709/step Wall: 2367.15, 0.00295709/step, 3.45109 hours remaining, 206.304688 MB of memory in use. ENERGY: 798600 746.1271 2028.3847 1963.9591 96.1344 -205836.5887 17637.3529 0.0000 0.0000 34287.6164 -149077.0142 299.4423 -183364.6306 -148984.1309 299.6469 -100.7360 -68.1801 558374.2717 -1.3662 -1.3122 PRESSURE: 798800 101.349 55.6358 46.482 55.6346 212.791 -51.8601 46.4817 -51.86 71.0588 GPRESSURE: 798800 175.66 -2.03902 78.5662 49.4433 184.714 -6.90294 19.014 -41.262 129.889 PRESSAVG: 798800 53.0978 25.911 76.5089 25.911 -46.0919 4.95318 76.5089 4.95303 -22.2094 GPRESSAVG: 798800 55.0064 22.8286 73.9724 27.0293 -46.5796 6.20924 79.8516 3.92703 -23.7867 TIMING: 798800 CPU: 2367.74, 0.00297378/step Wall: 2367.74, 0.00297378/step, 3.4704 hours remaining, 206.304688 MB of memory in use. ENERGY: 798800 734.1363 2036.2569 1926.8047 122.8679 -205993.1480 17764.9803 0.0000 0.0000 34308.1783 -149099.9236 299.6219 -183408.1020 -149007.3941 299.5949 128.3994 163.4210 557565.4739 -5.0678 -5.1200 PRESSURE: 799000 -68.0783 62.9 -22.407 62.9005 140.753 -94.836 -22.4072 -94.8356 -102.407 GPRESSURE: 799000 -37.1803 12.8126 74.1638 31.2049 153.794 -116.359 -143.776 -104.157 -53.8515 PRESSAVG: 799000 18.2998 4.89719 -4.57479 4.8972 18.1166 9.19161 -4.57479 9.19174 -25.0114 GPRESSAVG: 799000 18.4222 4.70987 -2.11629 6.12195 16.8145 10.3122 -6.1303 8.56998 -24.4075 TIMING: 799000 CPU: 2368.33, 0.00296201/step Wall: 2368.33, 0.00296201/step, 3.4565 hours remaining, 206.304688 MB of memory in use. ENERGY: 799000 767.9577 2076.4949 1944.1736 116.9232 -206134.3985 17728.9358 0.0000 0.0000 34280.3677 -149219.5457 299.3790 -183499.9134 -149116.9413 299.6101 -9.9108 20.9207 556255.4635 3.8017 3.6097 PRESSURE: 799200 -19.9489 141.234 187.253 141.234 -71.0424 40.2236 187.253 40.2246 104.463 GPRESSURE: 799200 26.6177 91.6163 118.892 219.506 -47.4397 25.5306 182.986 51.8783 132.276 PRESSAVG: 799200 52.9121 6.71009 19.3718 6.71011 -38.2384 13.861 19.3719 13.8609 24.9071 GPRESSAVG: 799200 51.7831 9.46131 17.8797 4.11192 -36.9867 13.7735 18.181 13.3757 24.6386 TIMING: 799200 CPU: 2368.92, 0.00296129/step Wall: 2368.92, 0.00296129/step, 3.4555 hours remaining, 206.304688 MB of memory in use. ENERGY: 799200 741.1088 2021.6381 1968.1875 110.3991 -206077.3326 17725.3308 0.0000 0.0000 34247.9262 -149262.7421 299.0957 -183510.6684 -149165.5037 299.1709 4.4906 37.1513 555970.5661 13.1936 13.1450 PRESSURE: 799400 16.9408 -49.2041 11.7978 -49.2051 41.6642 -101.783 11.7982 -101.782 -266.712 GPRESSURE: 799400 37.0465 -84.6722 19.0105 -55.1813 47.7737 -155.897 51.6859 -140.341 -178.884 PRESSAVG: 799400 -18.0776 38.0673 -3.41583 38.0673 -49.1068 -5.10274 -3.41575 -5.10276 55.298 GPRESSAVG: 799400 -17.9164 38.802 -3.83148 36.663 -49.8452 -4.87501 -1.50013 -6.34636 56.1603 TIMING: 799400 CPU: 2369.52, 0.00295619/step Wall: 2369.52, 0.00295619/step, 3.44938 hours remaining, 206.304688 MB of memory in use. ENERGY: 799400 755.1156 2057.0360 1954.5574 120.1542 -205755.1178 17532.1128 0.0000 0.0000 34064.5064 -149271.6353 297.4938 -183336.1417 -149180.9953 299.0016 -69.3689 -31.3545 556562.7840 -3.9621 -3.8671 PRESSURE: 799600 137.358 -32.5426 43.1068 -32.5425 73.9754 25.8518 43.1065 25.8508 8.37408 GPRESSURE: 799600 140.305 88.3991 64.7236 -24.5818 156.743 -44.619 25.0668 44.2549 6.8785 PRESSAVG: 799600 -26.3503 -4.59908 25.8155 -4.59912 9.7734 -41.3851 25.8155 -41.3851 -47.8237 GPRESSAVG: 799600 -26.7845 -7.57958 24.449 -0.222416 11.8216 -42.5232 24.3404 -38.5519 -49.3706 TIMING: 799600 CPU: 2370.11, 0.0029547/step Wall: 2370.11, 0.0029547/step, 3.44748 hours remaining, 206.304688 MB of memory in use. ENERGY: 799600 755.6677 2065.3417 1959.9712 110.7818 -206269.4508 17820.5343 0.0000 0.0000 34404.3671 -149152.7871 300.4619 -183557.1542 -149051.3841 299.5522 73.2358 101.3087 557165.7971 -21.4669 -21.4445 PRESSURE: 799800 -191.602 -32.2423 32.7445 -32.243 -15.73 -63.1768 32.745 -63.1761 16.7103 GPRESSURE: 799800 -166.352 -105.415 -72.2846 48.7394 20.9856 -54.5446 78.1265 -20.1391 38.947 PRESSAVG: 799800 -2.54465 -14.2132 5.33797 -14.2131 -31.1024 27.0287 5.33801 27.0287 16.0419 GPRESSAVG: 799800 -2.81733 -13.4123 6.62319 -16.8473 -31.6117 28.9935 6.53839 25.5469 16.3537 TIMING: 799800 CPU: 2370.69, 0.00292826/step Wall: 2370.69, 0.00292826/step, 3.41647 hours remaining, 206.304688 MB of memory in use. ENERGY: 799800 728.2873 2089.4057 1954.7269 110.4359 -205972.2941 17793.9765 0.0000 0.0000 34178.1734 -149117.2883 298.4865 -183295.4617 -149020.0951 300.1487 -63.5407 -35.4732 558770.8117 -5.8684 -6.0251 PRESSURE: 800000 -71.1059 -52.6935 102.268 -52.6945 -156.483 -91.1009 102.269 -91.1012 -117.306 GPRESSURE: 800000 -138.936 -40.3922 55.1314 -63.3158 -110.569 -40.3264 91.247 -44.7719 -4.52145 PRESSAVG: 800000 -14.3511 -26.1663 18.513 -26.1664 -12.6412 33.7469 18.5129 33.7469 14.8827 GPRESSAVG: 800000 -14.4234 -26.0426 18.1434 -24.3301 -14.1919 32.7104 19.1744 33.0841 15.792 TIMING: 800000 CPU: 2371.28, 0.00296061/step Wall: 2371.28, 0.00296061/step, 3.45404 hours remaining, 206.304688 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: 800000 743.7964 2135.8960 1955.9006 98.1638 -206088.9527 17680.7724 0.0000 0.0000 34140.9026 -149333.5208 298.1610 -183474.4234 -149241.1314 298.7229 -114.9648 -84.6754 557636.4700 -4.0365 -4.2744 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 800000 WRITING COORDINATES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART COORDINATES The last position output (seq=800000) takes 0.062 seconds, 206.305 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 800200 -10.0027 -49.1873 -34.5516 -49.1866 187.013 -3.45777 -34.5536 -3.45819 73.4023 GPRESSURE: 800200 24.8403 -24.8811 -32.4845 -17.535 235.697 20.8195 -30.2104 -23.0859 80.8196 PRESSAVG: 800200 -45.6057 -10.2677 10.0334 -10.2677 46.5821 31.5496 10.0334 31.5496 -33.1392 GPRESSAVG: 800200 -45.2668 -11.1949 10.2687 -11.7619 46.8432 30.2434 8.30225 32.3558 -33.5126 TIMING: 800200 CPU: 2372.03, 0.00372698/step Wall: 2372.03, 0.00372698/step, 4.34794 hours remaining, 206.304688 MB of memory in use. ENERGY: 800200 756.9699 2043.9794 1956.6685 102.4157 -206653.9197 17983.7249 0.0000 0.0000 34501.8802 -149308.2812 301.3135 -183810.1615 -149208.0994 298.8498 83.4709 113.7858 556557.4837 -10.7209 -10.6454 LDB: ============= START OF LOAD BALANCING ============== 2375.46 LDB: ============== END OF LOAD BALANCING =============== 2375.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2375.46 LDB: ============= START OF LOAD BALANCING ============== 2375.75 LDB: Largest compute 4820 load 0.031244 is 26.5% of average load 0.117872 LDB: Average compute 0.001727 is 1.5% of average load 0.117872 LDB: TIME 2375.76 LOAD: AVG 0.117872 MAX 0.195432 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.508 MB LDB: TIME 2375.76 LOAD: AVG 0.117872 MAX 0.195432 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.508 MB LDB: TIME 2375.76 LOAD: AVG 0.117872 MAX 0.195432 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.508 MB LDB: ============== END OF LOAD BALANCING =============== 2375.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2375.76 PRESSURE: 800400 -111.598 -105.241 161.593 -105.241 9.43499 77.3319 161.594 77.3339 -6.06859 GPRESSURE: 800400 -76.8089 19.5508 71.6952 -109.798 59.5242 71.6449 107.033 51.45 6.83314 PRESSAVG: 800400 -79.0958 -29.8431 29.5839 -29.8431 67.4455 11.1529 29.5839 11.1529 14.1177 GPRESSAVG: 800400 -78.5427 -28.8683 28.5162 -29.6503 67.9699 11.5929 28.8007 9.82105 13.9427 TIMING: 800400 CPU: 2372.63, 0.00301254/step Wall: 2372.63, 0.00301254/step, 3.5143 hours remaining, 205.425781 MB of memory in use. ENERGY: 800400 754.9937 2109.2010 1930.5582 115.0988 -206114.5214 17773.5435 0.0000 0.0000 34257.0999 -149174.0263 299.1758 -183431.1262 -149078.7832 299.3901 -36.0771 -3.4838 557521.1808 0.8225 1.1233 PRESSURE: 800600 -16.1417 -2.61985 108.859 -2.61976 -113.525 24.5124 108.859 24.5121 46.2669 GPRESSURE: 800600 18.1049 -56.0926 84.2652 -62.9338 -62.6157 -106.375 89.717 65.5436 45.2361 PRESSAVG: 800600 -82.7493 -39.2017 -2.51972 -39.2016 -8.00191 -27.2695 -2.51967 -27.2695 36.2793 GPRESSAVG: 800600 -82.8133 -40.7854 -3.21742 -39.1731 -8.29707 -28.1789 -0.0276538 -27.988 36.3546 TIMING: 800600 CPU: 2373.22, 0.00294933/step Wall: 2373.22, 0.00294933/step, 3.44039 hours remaining, 205.425781 MB of memory in use. ENERGY: 800600 720.3631 2085.5861 1954.3176 109.0891 -206289.7054 17814.7660 0.0000 0.0000 34368.7539 -149236.8297 300.1509 -183605.5836 -149141.2764 299.4173 -27.7999 0.2418 557179.4018 -18.1573 -18.2519 PRESSURE: 800800 -85.118 55.3526 42.6053 55.3515 -14.7923 96.6751 42.6047 96.6764 -54.056 GPRESSURE: 800800 -38.2836 95.5214 78.4828 5.38875 14.6349 113.899 18.6058 79.5665 -40.5217 PRESSAVG: 800800 15.4387 -10.9958 30.9216 -10.9959 48.1188 -16.2067 30.9215 -16.2068 -26.5467 GPRESSAVG: 800800 15.6155 -8.71414 31.1263 -12.5426 48.1348 -16.1842 30.1194 -15.2763 -26.3786 TIMING: 800800 CPU: 2373.82, 0.00298842/step Wall: 2373.82, 0.00298842/step, 3.48583 hours remaining, 205.425781 MB of memory in use. ENERGY: 800800 754.5056 2122.5662 1937.1722 115.4661 -206377.6999 17869.5152 0.0000 0.0000 34284.1968 -149294.2778 299.4124 -183578.4746 -149193.3274 299.4623 -51.3221 -21.3902 557466.6051 12.3369 12.4572 PRESSURE: 801000 -362.368 147.506 -175.001 147.504 -135.705 231.68 -175 231.681 -75.099 GPRESSURE: 801000 -364.559 159.298 -168.628 101.273 -82.0298 207.476 -163.749 238.263 -40.4532 PRESSAVG: 801000 3.46473 15.2687 70.3704 15.2688 -24.0684 -40.1108 70.3704 -40.1108 13.0568 GPRESSAVG: 801000 3.10572 14.7394 69.5542 14.9978 -23.7332 -39.1528 70.3769 -41.8861 12.8935 TIMING: 801000 CPU: 2374.42, 0.00298936/step Wall: 2374.42, 0.00298936/step, 3.48676 hours remaining, 205.425781 MB of memory in use. ENERGY: 801000 772.3804 2076.0110 1935.2532 111.0847 -206047.8960 17579.6406 0.0000 0.0000 34286.1204 -149287.4057 299.4292 -183573.5261 -149185.5597 299.0697 -191.0573 -162.3475 557693.0158 -2.5156 -2.5780 PRESSURE: 801200 20.2462 -129.93 -49.6228 -129.929 88.8369 54.0711 -49.6223 54.069 10.5172 GPRESSURE: 801200 62.6117 -39.119 -70.9308 -224.369 111.401 31.0807 -58.2619 -17.4704 51.8991 PRESSAVG: 801200 -40.5249 43.9342 -17.1332 43.9342 21.329 16.1525 -17.1333 16.1524 26.7992 GPRESSAVG: 801200 -41.5133 41.9408 -15.4681 47.1308 21.103 16.2356 -16.8227 17.5178 28.8279 TIMING: 801200 CPU: 2375.01, 0.00295015/step Wall: 2375.01, 0.00295015/step, 3.44086 hours remaining, 205.425781 MB of memory in use. ENERGY: 801200 724.7933 2111.2889 1941.7678 109.9928 -206035.8675 17792.8313 0.0000 0.0000 34042.8319 -149312.3615 297.3045 -183355.1934 -149212.6925 298.2444 39.8668 75.3038 557354.5438 2.5344 2.8059 PRESSURE: 801400 291.462 -231.834 53.665 -231.835 -140.584 111.228 53.6645 111.231 274.415 GPRESSURE: 801400 298.919 -232.246 129.146 -240.355 -52.2916 120.808 34.5238 40.2406 292.266 PRESSAVG: 801400 -16.6037 -25.409 18.8605 -25.4089 14.6928 -37.5793 18.8604 -37.5792 -28.7623 GPRESSAVG: 801400 -15.39 -24.7614 20.8283 -26.1585 14.4085 -38.6004 18.6741 -35.8601 -29.6265 TIMING: 801400 CPU: 2375.61, 0.00299132/step Wall: 2375.61, 0.00299132/step, 3.48871 hours remaining, 205.425781 MB of memory in use. ENERGY: 801400 749.2243 2126.1452 1929.0806 112.7454 -206873.3282 18225.8012 0.0000 0.0000 34303.6018 -149426.7298 299.5819 -183730.3316 -149324.7173 298.5959 141.7644 179.6311 557076.2980 -10.2244 -10.2027 PRESSURE: 801600 174.195 75.8805 4.2069 75.8814 -222.776 -368.397 4.20637 -368.396 134.32 GPRESSURE: 801600 236.731 105.629 -34.9958 127.065 -180.05 -379.444 -19.5619 -366.253 118.255 PRESSAVG: 801600 41.9362 21.0647 -10.332 21.0648 32.6847 -12.3419 -10.332 -12.342 -52.5031 GPRESSAVG: 801600 41.8932 20.7137 -14.3539 21.004 32.5822 -9.94648 -10.1929 -12.3829 -52.7872 TIMING: 801600 CPU: 2376.2, 0.00295294/step Wall: 2376.2, 0.00295294/step, 3.44379 hours remaining, 205.425781 MB of memory in use. ENERGY: 801600 744.3096 2005.0654 1971.1687 113.4645 -206407.7502 17855.8361 0.0000 0.0000 34322.5328 -149395.3730 299.7472 -183717.9058 -149303.3667 299.0787 28.5798 58.3118 556633.2736 7.3726 7.2294 PRESSURE: 801800 93.7991 121.825 -37.7481 121.824 -76.4306 17.4517 -37.7487 17.4518 76.8205 GPRESSURE: 801800 97.8303 209.56 -32.9096 67.0666 -35.7097 -13.846 -88.6621 11.6886 139.443 PRESSAVG: 801800 -10.5842 10.7481 -45.2229 10.748 -2.17387 -58.3879 -45.2228 -58.3879 3.66992 GPRESSAVG: 801800 -10.5839 11.8883 -43.0953 10.8431 -1.59304 -59.9955 -45.4373 -59.8627 3.85233 TIMING: 801800 CPU: 2376.79, 0.00298956/step Wall: 2376.79, 0.00298956/step, 3.48633 hours remaining, 205.425781 MB of memory in use. ENERGY: 801800 732.7287 2078.5574 1941.5381 111.5010 -206348.8856 17891.2646 0.0000 0.0000 34221.0661 -149372.2296 298.8611 -183593.2957 -149272.9423 299.2086 31.3963 67.1878 556302.9557 -3.0294 -2.7749 PRESSURE: 802000 -135.502 23.356 201.135 23.3569 33.9417 -21.4573 201.136 -21.4578 -91.498 GPRESSURE: 802000 -73.1255 55.6785 237.603 3.42638 50.5548 -64.8835 213.61 -34.1605 -75.461 PRESSAVG: 802000 50.2968 26.2713 47.1766 26.2714 -31.8355 -3.93665 47.1766 -3.93668 -8.70057 GPRESSAVG: 802000 50.666 27.1957 46.6284 24.7115 -31.6873 -4.24053 48.7243 -2.87876 -8.01158 TIMING: 802000 CPU: 2377.39, 0.00298372/step Wall: 2377.39, 0.00298372/step, 3.47935 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: 802000 715.5824 2069.0379 1975.6367 114.4896 -206185.1459 17703.5362 0.0000 0.0000 34155.3834 -149451.4797 298.2875 -183606.8631 -149353.3779 298.8721 -64.3528 -32.6772 557542.6922 3.2536 3.6557 PRESSURE: 802200 236.063 -45.5673 112.094 -45.5687 175.083 40.8769 112.094 40.8759 -103.088 GPRESSURE: 802200 232.697 -166.814 59.1471 20.1001 218.826 -8.9167 155.434 24.165 -51.2571 PRESSAVG: 802200 -6.6678 0.936165 36.1208 0.93622 32.2086 -10.2392 36.1208 -10.2392 -35.0271 GPRESSAVG: 802200 -6.8517 -0.439247 36.5396 3.23511 32.2386 -10.3943 33.0217 -12.0231 -35.1854 TIMING: 802200 CPU: 2377.99, 0.00297976/step Wall: 2377.99, 0.00297976/step, 3.47456 hours remaining, 205.425781 MB of memory in use. ENERGY: 802200 724.2771 2018.5789 1960.2992 106.9149 -206582.0544 18056.2254 0.0000 0.0000 34270.3942 -149445.3647 299.2919 -183715.7589 -149360.4378 299.6218 102.6858 133.4219 556921.6566 -3.1621 -3.2662 PRESSURE: 802400 107.596 -46.387 -53.8407 -46.3873 -110.225 -7.68456 -53.8412 -7.68446 100.3 GPRESSURE: 802400 100.429 -12.5041 -1.96223 -127.58 -69.0085 100.351 -20.1076 -74.9911 163.158 PRESSAVG: 802400 -45.5744 -19.4132 22.5009 -19.4132 -30.4026 17.1056 22.5009 17.1056 22.9262 GPRESSAVG: 802400 -45.4252 -20.9317 22.1733 -20.3058 -30.0056 18.701 24.7764 15.8624 22.7176 TIMING: 802400 CPU: 2378.58, 0.00296286/step Wall: 2378.58, 0.00296286/step, 3.4547 hours remaining, 205.425781 MB of memory in use. ENERGY: 802400 711.0537 2086.8738 1955.2837 108.7848 -206350.2677 17797.6069 0.0000 0.0000 34252.8919 -149437.7728 299.1390 -183690.6647 -149341.6477 298.9013 32.5571 64.8596 557006.3413 -17.6836 -17.5711 PRESSURE: 802600 55.5801 54.3345 98.0632 54.3337 -312.344 24.0905 98.0631 24.0895 -318.788 GPRESSURE: 802600 80.1892 82.2221 70.7185 80.8075 -226.168 -4.89073 121.461 -30.6389 -329.636 PRESSAVG: 802600 -50.2687 5.37909 2.727 5.37913 42.1936 29.8143 2.72699 29.8143 19.6268 GPRESSAVG: 802600 -50.6997 8.22965 3.04039 5.37013 41.8913 29.0896 2.84855 32.1703 20.2524 TIMING: 802600 CPU: 2379.18, 0.00299181/step Wall: 2379.18, 0.00299181/step, 3.48828 hours remaining, 205.425781 MB of memory in use. ENERGY: 802600 755.9305 2080.1967 1950.0744 102.1408 -205930.9842 17566.8920 0.0000 0.0000 34102.3547 -149373.3950 297.8243 -183475.7498 -149274.9523 298.2952 -191.8507 -158.5384 558059.9372 3.8505 3.8147 PRESSURE: 802800 293.317 62.7102 -45.3727 62.7102 -142.91 86.0216 -45.374 86.0218 -5.48444 GPRESSURE: 802800 312.953 44.4831 -12.8497 83.878 -120.174 90.7629 30.765 85.9572 40.3813 PRESSAVG: 802800 10.6747 -20.0261 65.7326 -20.0262 28.5865 -26.9447 65.7326 -26.9448 -8.40316 GPRESSAVG: 802800 11.3981 -20.1192 63.402 -18.5327 28.7064 -27.8603 67.7928 -27.5273 -9.21018 TIMING: 802800 CPU: 2379.78, 0.0029869/step Wall: 2379.78, 0.0029869/step, 3.4824 hours remaining, 205.425781 MB of memory in use. ENERGY: 802800 701.1338 2113.6551 1957.9617 109.0537 -206082.0508 17791.2623 0.0000 0.0000 34046.3602 -149362.6241 297.3353 -183408.9843 -149270.6304 298.2326 48.3074 77.7201 557718.8857 10.2860 10.2981 PRESSURE: 803000 61.5409 45.8669 13.291 45.8667 -60.8104 147.397 13.2913 147.395 -196.402 GPRESSURE: 803000 47.924 20.8898 -5.51999 14.4512 -74.4879 120.517 -105.984 113.517 -75.4363 PRESSAVG: 803000 -5.70465 -11.8759 1.9704 -11.8759 24.7824 -70.7085 1.97033 -70.7086 -33.7891 GPRESSAVG: 803000 -5.78155 -13.8888 1.57428 -13.4728 25.3884 -69.536 0.231488 -71.1888 -34.3376 TIMING: 803000 CPU: 2380.37, 0.00298559/step Wall: 2380.37, 0.00298559/step, 3.4807 hours remaining, 205.425781 MB of memory in use. ENERGY: 803000 712.3127 2124.0854 1969.4733 97.1898 -206180.9152 17844.5392 0.0000 0.0000 34041.6449 -149391.6698 297.2942 -183433.3147 -149300.9002 298.1063 -65.2240 -34.0000 558310.3100 -4.9038 -4.9103 PRESSURE: 803200 3.86217 0.290606 34.7292 0.288681 -270.784 -66.0872 34.7283 -66.0867 -252.922 GPRESSURE: 803200 11.1879 1.50957 64.9324 18.3869 -227.74 -26.9379 46.5588 13.9521 -206.992 PRESSAVG: 803200 -7.1724 -13.1876 1.08045 -13.1876 39.9234 -18.7221 1.08046 -18.722 -26.5157 GPRESSAVG: 803200 -7.67756 -12.8696 2.15619 -11.9069 39.5882 -19.8969 2.39956 -18.5943 -25.8923 TIMING: 803200 CPU: 2380.97, 0.003/step Wall: 2380.97, 0.003/step, 3.49733 hours remaining, 205.425781 MB of memory in use. ENERGY: 803200 705.7148 2113.0568 1964.4528 112.4502 -206040.4037 17576.5351 0.0000 0.0000 34077.1183 -149491.0757 297.6039 -183568.1940 -149396.6516 297.2960 -173.2813 -141.1815 558655.4523 2.0784 2.0061 PRESSURE: 803400 -245.677 21.1144 24.5963 21.1152 -187.268 49.5493 24.5982 49.55 -192.805 GPRESSURE: 803400 -260.655 44.7172 60.6704 -32.8066 -115.537 96.5576 4.37509 -72.4681 -137.7 PRESSAVG: 803400 6.21124 47.8986 -42.4429 47.8986 -13.4817 26.214 -42.4428 26.214 -11.551 GPRESSAVG: 803400 7.16641 48.1084 -43.1084 48.1424 -13.6516 25.4419 -42.8357 27.8458 -12.2639 TIMING: 803400 CPU: 2381.56, 0.00295615/step Wall: 2381.56, 0.00295615/step, 3.44604 hours remaining, 205.425781 MB of memory in use. ENERGY: 803400 714.2608 2077.7328 1959.9486 99.2505 -206139.8484 17662.0579 0.0000 0.0000 34297.8210 -149328.7767 299.5314 -183626.5977 -149236.7151 298.4262 -208.5833 -171.2973 558483.2580 -6.2738 -6.2497 PRESSURE: 803600 93.6936 133.215 -193.314 133.215 119.519 80.4038 -193.314 80.4034 -159.944 GPRESSURE: 803600 109.922 149.341 -205.874 112.899 159.141 88.7201 -206.747 178.821 -114.49 PRESSAVG: 803600 13.4013 13.9431 -22.1646 13.9431 -0.3568 -17.3191 -22.1646 -17.319 5.92833 GPRESSAVG: 803600 13.8709 15.7328 -20.1096 12.4452 -1.43161 -16.5871 -22.1116 -18.741 6.24519 TIMING: 803600 CPU: 2382.16, 0.00297436/step Wall: 2382.16, 0.00297436/step, 3.46711 hours remaining, 205.425781 MB of memory in use. ENERGY: 803600 716.6865 2042.9938 1941.0178 103.0131 -206193.2602 17923.8431 0.0000 0.0000 34200.7166 -149264.9894 298.6834 -183465.7059 -149169.1147 299.4059 17.7565 51.5246 558420.9435 6.3243 6.2282 PRESSURE: 803800 45.6026 62.6191 -90.1902 62.6187 170.978 17.9208 -90.1903 17.9189 48.8151 GPRESSURE: 803800 111.346 -24.2305 -103.88 147.042 169.799 103.787 -65.0148 -13.5355 80.202 PRESSAVG: 803800 1.79496 62.4188 -86.4904 62.4189 -53.1264 16.0169 -86.4904 16.0168 65.1968 GPRESSAVG: 803800 1.59178 58.8882 -88.3629 65.2082 -52.0745 16.3875 -85.6477 16.9231 64.4999 TIMING: 803800 CPU: 2382.75, 0.00297941/step Wall: 2382.75, 0.00297941/step, 3.47283 hours remaining, 205.425781 MB of memory in use. ENERGY: 803800 738.1347 2103.4013 1940.1953 110.1199 -206649.5831 18083.1667 0.0000 0.0000 34506.9393 -149167.6260 301.3577 -183674.5652 -149065.2398 299.8532 88.4653 120.4489 558047.1589 4.6218 4.6724 PRESSURE: 804000 -170.892 33.2345 -48.1042 33.2345 -184.636 -65.5496 -48.1037 -65.55 -188 GPRESSURE: 804000 -200.69 54.2673 -60.905 53.2541 -157.161 -77.3593 -95.6407 4.86522 -101.083 PRESSAVG: 804000 35.3236 45.0964 15.0126 45.0965 -79.5487 -7.90227 15.0126 -7.9023 51.2809 GPRESSAVG: 804000 35.126 46.338 17.5979 42.9849 -79.9776 -6.2316 14.1786 -9.50647 52.0367 TIMING: 804000 CPU: 2383.35, 0.00297365/step Wall: 2383.35, 0.00297365/step, 3.46595 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: 804000 731.6594 2117.7636 1963.1001 122.1681 -206102.0998 17703.0736 0.0000 0.0000 34334.4579 -149129.8771 299.8514 -183464.3350 -149035.6582 299.3297 -181.1761 -152.9780 558719.8183 2.3519 2.3950 PRESSURE: 804200 133.449 -4.93866 -27.38 -4.93725 -94.0777 66.3159 -27.381 66.3148 54.4252 GPRESSURE: 804200 119.867 -16.1509 -136.812 86.8099 -100.023 136.131 -32.0096 15.118 158.246 PRESSAVG: 804200 -38.5273 0.00123113 -18.1412 0.00127589 18.9829 2.93697 -18.1412 2.93695 25.9449 GPRESSAVG: 804200 -39.5496 -0.394728 -19.5467 -0.0100345 19.7724 2.03723 -16.2624 4.08 25.5296 TIMING: 804200 CPU: 2383.95, 0.00299217/step Wall: 2383.95, 0.00299217/step, 3.48738 hours remaining, 205.425781 MB of memory in use. ENERGY: 804200 750.9065 2109.9671 1965.6933 115.6986 -205811.2251 17684.2442 0.0000 0.0000 34040.7980 -149143.9175 297.2868 -183184.7156 -149046.0794 299.6188 31.2656 59.3631 558464.3987 2.1335 1.9175 LDB: ============= START OF LOAD BALANCING ============== 2387.38 LDB: ============== END OF LOAD BALANCING =============== 2387.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2387.38 LDB: ============= START OF LOAD BALANCING ============== 2387.68 LDB: Largest compute 4820 load 0.034171 is 29.0% of average load 0.117833 LDB: Average compute 0.001728 is 1.5% of average load 0.117833 LDB: TIME 2387.68 LOAD: AVG 0.117833 MAX 0.200964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 2387.68 LOAD: AVG 0.117833 MAX 0.200964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: TIME 2387.68 LOAD: AVG 0.117833 MAX 0.200964 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: ============== END OF LOAD BALANCING =============== 2387.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2387.69 PRESSURE: 804400 -29.5842 -17.1702 -22.7796 -17.1703 -402.372 -31.6417 -22.7796 -31.6431 87.4145 GPRESSURE: 804400 -48.4879 53.7792 -75.1392 -66.4105 -271.429 52.7093 -77.4366 -114.761 73.2134 PRESSAVG: 804400 37.7968 -7.59999 29.1751 -7.60002 -15.6981 15.6212 29.1751 15.6212 -17.0303 GPRESSAVG: 804400 37.1001 -7.82112 28.6431 -7.94743 -15.1096 14.2336 27.8527 17.8742 -16.8449 TIMING: 804400 CPU: 2384.56, 0.00305355/step Wall: 2384.56, 0.00305355/step, 3.55875 hours remaining, 206.449219 MB of memory in use. ENERGY: 804400 738.6362 2087.9877 1947.7969 125.9284 -205764.9159 17553.7958 0.0000 0.0000 34288.6670 -149022.1039 299.4515 -183310.7709 -148928.1311 299.1299 -114.8471 -82.2346 557371.4779 1.6895 1.7152 PRESSURE: 804600 100.775 42.5651 14.8531 42.5648 -54.1607 -15.8019 14.8528 -15.8027 112.65 GPRESSURE: 804600 178.655 32.5822 10.6105 41.7857 -27.3612 17.7043 42.7848 -17.3049 104.557 PRESSAVG: 804600 42.6673 -26.9637 -4.10793 -26.9637 -27.3668 -22.988 -4.10797 -22.988 -4.31709 GPRESSAVG: 804600 44.2563 -27.0201 -2.05327 -24.8982 -28.9874 -21.5726 -2.51946 -25.0698 -4.73857 TIMING: 804600 CPU: 2385.16, 0.00300776/step Wall: 2385.16, 0.00300776/step, 3.50521 hours remaining, 206.449219 MB of memory in use. ENERGY: 804600 748.2902 2117.9381 1951.3879 120.1708 -206186.8090 17894.2556 0.0000 0.0000 34262.5024 -149092.2641 299.2230 -183354.7665 -149002.4539 298.9798 53.0879 85.2834 556640.3280 3.6611 3.5101 PRESSURE: 804800 -59.2229 -36.111 -15.4632 -36.1118 -44.4685 91.9995 -15.4643 92.0002 -8.20613 GPRESSURE: 804800 -38.5078 86.5804 20.4519 -139.583 -18.2635 80.7926 -42.9674 178.446 47.9909 PRESSAVG: 804800 -19.2228 -20.7115 42.1222 -20.7115 -31.6463 4.9723 42.1221 4.97227 23.2656 GPRESSAVG: 804800 -19.5395 -19.2593 42.9645 -22.9847 -30.9459 5.77803 39.581 5.28085 22.8187 TIMING: 804800 CPU: 2385.76, 0.00298362/step Wall: 2385.76, 0.00298362/step, 3.47691 hours remaining, 206.449219 MB of memory in use. ENERGY: 804800 729.0889 2086.8642 1958.3951 112.0274 -205666.4441 17636.7345 0.0000 0.0000 34227.6816 -148915.6523 298.9189 -183143.3340 -148826.1939 299.8006 -37.2992 -2.9268 557959.9987 -9.2012 -9.2222 PRESSURE: 805000 -138.052 96.7596 7.59605 96.7599 47.9195 -165.499 7.5951 -165.5 319.08 GPRESSURE: 805000 -149.932 -0.488821 38.8798 19.7178 93.6111 -135.908 -3.09266 -191.045 372.758 PRESSAVG: 805000 -8.22978 -12.2144 23.7519 -12.2144 40.872 15.0196 23.7518 15.0196 -0.791072 GPRESSAVG: 805000 -8.10456 -13.3158 21.4777 -13.9366 39.576 15.8182 24.5121 15.3639 -0.498024 TIMING: 805000 CPU: 2386.36, 0.00300062/step Wall: 2386.36, 0.00300062/step, 3.49656 hours remaining, 206.449219 MB of memory in use. ENERGY: 805000 744.2628 2120.4143 1963.2342 107.5910 -205938.9751 17910.6738 0.0000 0.0000 34149.4101 -148943.3888 298.2353 -183092.7989 -148853.9085 299.9148 76.3159 105.4792 557452.0792 10.6170 10.3245 PRESSURE: 805200 19.0652 -39.9812 24.2158 -39.981 266.121 -14.7096 24.2137 -14.708 253.908 GPRESSURE: 805200 40.8345 -90.0516 -3.29657 -39.3167 319.919 -50.4932 73.2007 43.5924 271.485 PRESSAVG: 805200 -106.354 -31.0628 7.755 -31.063 63.6083 -28.3751 7.75499 -28.375 51.8833 GPRESSAVG: 805200 -106.231 -29.9342 5.95546 -31.5192 63.5525 -27.7726 9.44729 -30.7886 51.9119 TIMING: 805200 CPU: 2386.96, 0.00303648/step Wall: 2386.96, 0.00303648/step, 3.53817 hours remaining, 206.449219 MB of memory in use. ENERGY: 805200 746.8313 2083.1857 1918.1306 112.9665 -206229.2203 18053.5960 0.0000 0.0000 34574.3880 -148740.1220 301.9467 -183314.5101 -148646.9084 300.1696 179.6983 210.7460 557966.0966 3.0460 3.0779 PRESSURE: 805400 302.673 175.015 98.5983 175.016 -48.2471 53.6945 98.5981 53.6933 54.3626 GPRESSURE: 805400 347.014 153.679 122.723 150.418 27.3106 0.594791 -23.0152 140.199 34.4591 PRESSAVG: 805400 -22.8101 -34.1392 -16.2222 -34.1392 9.97207 11.1092 -16.2221 11.1091 39.9264 GPRESSAVG: 805400 -22.8079 -33.4031 -14.1777 -32.7373 11.1229 8.99396 -18.6038 13.2159 39.1263 TIMING: 805400 CPU: 2387.56, 0.00296946/step Wall: 2387.56, 0.00296946/step, 3.45992 hours remaining, 206.449219 MB of memory in use. ENERGY: 805400 757.2388 2098.0120 1956.3947 115.8053 -206104.4455 17834.3679 0.0000 0.0000 34627.6312 -148714.9956 302.4117 -183342.6268 -148623.8491 300.4348 102.9294 136.2613 557218.8983 9.0295 9.1471 PRESSURE: 805600 -50.4652 -189.624 9.95558 -189.624 133.72 -72.239 9.9556 -72.2387 153.632 GPRESSURE: 805600 -28.6577 -226.897 -76.8038 -197.401 189.576 -123.423 -25.8104 5.22142 172.206 PRESSAVG: 805600 5.94148 1.86382 -34.5553 1.8638 -11.899 48.3769 -34.5554 48.3769 -11.6851 GPRESSAVG: 805600 6.5068 -1.01761 -35.3644 2.92135 -10.972 49.8275 -33.1622 46.8483 -12.634 TIMING: 805600 CPU: 2388.15, 0.00296023/step Wall: 2388.15, 0.00296023/step, 3.449 hours remaining, 206.449219 MB of memory in use. ENERGY: 805600 725.5401 2051.0870 1963.9346 122.9434 -206060.5838 17921.5252 0.0000 0.0000 34524.7766 -148750.7769 301.5135 -183275.5535 -148646.5729 300.2702 78.9624 111.0415 558891.5923 -5.8809 -5.6997 PRESSURE: 805800 114.602 32.9822 -89.8439 32.9822 115.244 131.874 -89.845 131.873 -29.1253 GPRESSURE: 805800 123.951 19.7658 -127.793 37.6802 192.624 1.00231 -127.718 172.924 -29.7005 PRESSAVG: 805800 -25.3854 22.0347 2.47802 22.0347 -24.8743 18.506 2.47802 18.5059 17.026 GPRESSAVG: 805800 -24.4884 23.9943 2.18937 21.0339 -25.8766 18.2997 3.09082 17.9984 17.0531 TIMING: 805800 CPU: 2388.75, 0.0029885/step Wall: 2388.75, 0.0029885/step, 3.48177 hours remaining, 206.449219 MB of memory in use. ENERGY: 805800 754.4246 2111.8213 1963.9765 96.8599 -205887.6357 17843.7719 0.0000 0.0000 34301.5596 -148815.2218 299.5641 -183116.7814 -148715.0121 300.0724 66.9069 95.6249 558978.9788 -11.0779 -11.1040 PRESSURE: 806000 -56.9062 -140.553 -116.706 -140.552 108.828 80.9128 -116.706 80.9125 95.9345 GPRESSURE: 806000 -13.6808 -152.819 -99.5349 -67.2149 127.173 -23.4015 -88.5276 125.484 128.708 PRESSAVG: 806000 -45.4542 -8.10006 -38.8927 -8.10002 55.4357 -21.8974 -38.8928 -21.8974 -4.76658 GPRESSAVG: 806000 -46.8582 -6.56766 -39.6464 -8.60693 54.9224 -21.3552 -39.2841 -21.7507 -3.11349 TIMING: 806000 CPU: 2389.34, 0.00295955/step Wall: 2389.34, 0.00295955/step, 3.44788 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: 806000 753.5951 2113.2156 1954.6667 105.6699 -205817.6043 17714.1767 0.0000 0.0000 34384.1581 -148792.1223 300.2854 -183176.2804 -148688.1804 299.6448 49.2855 80.7335 558209.2011 1.7383 1.6502 PRESSURE: 806200 -49.4521 -24.4246 -31.2049 -24.4254 -287.815 -20.996 -31.2052 -20.9964 -226.274 GPRESSURE: 806200 3.00869 -58.0836 48.8305 -68.1636 -221.491 43.4632 -41.7156 -35.32 -239.479 PRESSAVG: 806200 -25.9315 -7.31682 -46.9066 -7.3168 32.2102 -18.69 -46.9065 -18.6899 8.5975 GPRESSAVG: 806200 -25.6084 -9.72389 -46.4247 -7.33191 32.0146 -19.3601 -45.071 -18.4005 8.5655 TIMING: 806200 CPU: 2389.93, 0.00294596/step Wall: 2389.93, 0.00294596/step, 3.43188 hours remaining, 206.449219 MB of memory in use. ENERGY: 806200 809.5143 2059.8178 1934.2907 115.2172 -205869.8982 17797.1473 0.0000 0.0000 34175.2869 -148978.6240 298.4613 -183153.9109 -148879.5711 300.2815 -187.8470 -152.6538 559034.8980 4.9587 4.9905 PRESSURE: 806400 76.6554 8.30018 95.7907 8.29992 -106.751 97.6545 95.7901 97.655 -182.483 GPRESSURE: 806400 88.9144 -23.0523 83.1716 -20.1148 -22.5969 24.5474 72.1633 161.93 -167.626 PRESSAVG: 806400 55.6562 -12.5743 17.7588 -12.5741 -29.8254 9.1423 17.7588 9.14222 -35.9896 GPRESSAVG: 806400 56.3628 -11.6416 19.4243 -13.1949 -29.5142 8.63905 13.6537 9.98271 -36.6865 TIMING: 806400 CPU: 2390.53, 0.00300773/step Wall: 2390.53, 0.00300773/step, 3.50367 hours remaining, 206.449219 MB of memory in use. ENERGY: 806400 758.6604 2019.9619 1928.4055 115.1675 -205936.4592 17569.7601 0.0000 0.0000 34556.1535 -148988.3503 301.7875 -183544.5038 -148885.0216 299.6007 -70.8594 -33.7696 557070.0554 -3.3862 -3.2793 PRESSURE: 806600 165.024 82.914 -111.299 82.9143 -153.989 -23.6455 -111.299 -23.6452 46.485 GPRESSURE: 806600 174.797 31.9176 -120.207 65.9755 -66.6755 57.1292 -75.3084 -74.241 44.9311 PRESSAVG: 806600 69.5165 -9.66279 -45.3972 -9.66288 -27.1499 16.7549 -45.3973 16.7548 -13.9625 GPRESSAVG: 806600 69.2348 -10.7009 -44.6622 -7.42594 -26.2409 19.2165 -43.0601 15.2876 -14.2723 TIMING: 806600 CPU: 2391.13, 0.0029939/step Wall: 2391.13, 0.0029939/step, 3.4874 hours remaining, 206.449219 MB of memory in use. ENERGY: 806600 769.0307 2067.0519 1947.7637 108.4411 -205844.4818 17773.0924 0.0000 0.0000 34397.9554 -148781.1466 300.4059 -183179.1020 -148687.2669 299.8528 19.1735 51.0174 558592.9052 9.4680 9.5739 PRESSURE: 806800 -35.1762 -16.7401 149.999 -16.7401 -27.4226 -183.794 149.999 -183.794 -100.01 GPRESSURE: 806800 -19.7142 -5.73635 154.009 -46.3669 62.9779 -248.594 237.359 -214.316 -108 PRESSAVG: 806800 -9.02921 30.0668 18.8793 30.0668 55.6253 19.8545 18.8795 19.8544 -13.4606 GPRESSAVG: 806800 -9.95071 30.4358 17.9004 30.8021 55.2958 18.2802 18.7839 18.6323 -12.0221 TIMING: 806800 CPU: 2391.73, 0.00298935/step Wall: 2391.73, 0.00298935/step, 3.48192 hours remaining, 206.449219 MB of memory in use. ENERGY: 806800 755.0705 2141.2812 1928.5290 118.1139 -206080.5570 17824.2648 0.0000 0.0000 34374.0270 -148939.2706 300.1969 -183313.2975 -148850.1059 300.4724 -54.2030 -21.5788 558557.3714 11.0452 11.1076 PRESSURE: 807000 -118.068 -3.69063 66.2236 -3.69041 -45.146 38.3094 66.2237 38.3092 -55.0472 GPRESSURE: 807000 -110.888 -38.9334 65.4463 11.194 -14.3189 110.507 7.45744 29.3136 -12.6771 PRESSAVG: 807000 24.6558 3.07933 50.6618 3.07933 29.4876 -41.6397 50.6618 -41.6398 -26.639 GPRESSAVG: 807000 24.8597 3.33252 50.614 0.762356 30.2065 -40.1618 51.6112 -42.2007 -27.3212 TIMING: 807000 CPU: 2392.32, 0.00295975/step Wall: 2392.32, 0.00295975/step, 3.44729 hours remaining, 206.449219 MB of memory in use. ENERGY: 807000 762.5282 2106.6208 1938.5828 102.2925 -205622.6768 17379.4203 0.0000 0.0000 34393.8917 -148939.3406 300.3704 -183333.2323 -148838.0260 300.0995 -72.7536 -45.9612 557895.9016 9.1681 9.2484 PRESSURE: 807200 -223.028 -16.7284 153.679 -16.7287 -132.136 144.262 153.68 144.264 -173.597 GPRESSURE: 807200 -133.217 113.102 122.96 -32.6533 -79.7097 129.16 178.777 183 -212.009 PRESSAVG: 807200 22.4952 10.9732 10.0296 10.9731 -26.9336 3.87129 10.0296 3.87135 22.3744 GPRESSAVG: 807200 22.3448 11.6023 7.94186 12.4093 -26.1484 1.43637 9.35248 6.6261 21.6085 TIMING: 807200 CPU: 2392.91, 0.00296666/step Wall: 2392.91, 0.00296666/step, 3.45516 hours remaining, 206.449219 MB of memory in use. ENERGY: 807200 777.4325 2085.9395 1954.9655 118.7573 -205733.5374 17544.0271 0.0000 0.0000 34104.0922 -149148.3234 297.8395 -183252.4155 -149043.3737 299.4331 -176.2540 -141.6452 558322.0084 5.9787 5.9350 PRESSURE: 807400 440.123 180.82 234.405 180.818 -5.69919 6.59778 234.404 6.59629 23.9356 GPRESSURE: 807400 460.785 158.729 183.786 134.853 49.8212 -21.6699 238.614 49.6646 47.7028 PRESSAVG: 807400 30.4891 34.1922 -6.03943 34.1922 31.0655 -40.8952 -6.03952 -40.8953 -71.028 GPRESSAVG: 807400 30.5858 33.5797 -4.96571 33.6393 29.8598 -39.8586 -5.86439 -40.7483 -70.032 TIMING: 807400 CPU: 2393.51, 0.00296516/step Wall: 2393.51, 0.00296516/step, 3.45325 hours remaining, 206.449219 MB of memory in use. ENERGY: 807400 730.9526 2073.9589 1932.6513 122.1558 -206505.8128 18158.3201 0.0000 0.0000 34342.0881 -149145.6860 299.9180 -183487.7741 -149056.1180 299.0615 152.7865 186.1030 557322.5086 -3.1578 -3.1955 PRESSURE: 807600 -231.18 67.6978 5.90392 67.6981 -88.445 104.659 5.90499 104.659 -450.555 GPRESSURE: 807600 -183.517 44.7054 -39.4628 30.7205 -47.2904 129.947 -18.3373 130.132 -434.003 PRESSAVG: 807600 14.9084 5.07713 -30.1884 5.07715 52.8622 55.9888 -30.1883 55.9888 -59.9044 GPRESSAVG: 807600 15.7288 6.02105 -29.6143 4.50246 53.1941 56.72 -30.1589 55.9794 -60.5633 TIMING: 807600 CPU: 2394.1, 0.00296073/step Wall: 2394.1, 0.00296073/step, 3.44794 hours remaining, 206.449219 MB of memory in use. ENERGY: 807600 741.9283 2058.5371 1942.8099 96.4392 -206097.6921 17641.5289 0.0000 0.0000 34402.8403 -149213.6085 300.4486 -183616.4487 -149111.8650 298.9082 -256.7265 -221.6033 558526.7027 2.6221 2.7865 PRESSURE: 807800 -181.111 -30.7557 -1.07649 -30.7548 -49.7392 57.5634 -1.07535 57.5638 -160.638 GPRESSURE: 807800 -130.898 -50.3838 -69.9066 44.6381 28.3141 15.6356 -44.7263 146.023 -200.763 PRESSAVG: 807800 -12.1223 24.0228 -28.8107 24.0229 -7.5761 16.3174 -28.8107 16.3174 -8.89963 GPRESSAVG: 807800 -13.0534 23.573 -31.5506 25.7776 -7.90886 14.7158 -27.7655 17.5925 -8.07163 TIMING: 807800 CPU: 2394.7, 0.00298916/step Wall: 2394.7, 0.00298916/step, 3.48087 hours remaining, 206.449219 MB of memory in use. ENERGY: 807800 776.0386 2026.2135 1935.8119 119.7708 -205975.3997 17674.9673 0.0000 0.0000 34111.5016 -149331.0960 297.9042 -183442.5976 -149233.2340 298.6755 -130.4962 -101.1155 558487.1892 -9.5327 -9.6779 PRESSURE: 808000 -68.6596 37.5713 75.9728 37.5712 151.279 -205.24 75.9738 -205.241 241.455 GPRESSURE: 808000 11.5689 31.8978 24.5214 65.4214 171.589 -271.858 92.2658 -223.006 244.061 PRESSAVG: 808000 7.89875 73.0689 45.8766 73.0689 14.052 -83.2699 45.8765 -83.2699 -3.5214 GPRESSAVG: 808000 8.2939 73.9746 49.5102 71.0321 13.3044 -83.1255 43.7978 -82.7561 -3.37806 TIMING: 808000 CPU: 2395.29, 0.00297203/step Wall: 2395.29, 0.00297203/step, 3.46076 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: 808000 695.9565 2119.0419 1946.9454 102.0262 -206219.9137 17936.2311 0.0000 0.0000 34083.2226 -149336.4901 297.6573 -183419.7126 -149243.7274 298.7784 108.0248 142.4062 557013.1236 6.1431 6.0734 PRESSURE: 808200 -203.746 84.3298 -60.2588 84.3297 -38.6289 -209.713 -60.2595 -209.712 87.6474 GPRESSURE: 808200 -163.693 62.5915 -38.8408 20.7373 -28.5805 -204.895 -76.478 -220.077 130.498 PRESSAVG: 808200 -52.8762 16.6368 22.9873 16.6367 33.5841 -23.9566 22.9872 -23.9565 31.6939 GPRESSAVG: 808200 -54.1741 14.7336 22.8053 18.2281 34.1556 -22.9124 23.4997 -26.5654 32.3556 TIMING: 808200 CPU: 2395.88, 0.00295786/step Wall: 2395.88, 0.00295786/step, 3.4441 hours remaining, 206.449219 MB of memory in use. ENERGY: 808200 770.3741 2126.9911 1972.5712 115.9956 -206502.0232 17967.0169 0.0000 0.0000 34220.4307 -149328.6435 298.8555 -183549.0742 -149239.4628 298.7749 -51.5759 -20.5917 558416.5194 4.1339 4.1124 LDB: ============= START OF LOAD BALANCING ============== 2399.31 LDB: ============== END OF LOAD BALANCING =============== 2399.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2399.31 LDB: ============= START OF LOAD BALANCING ============== 2399.6 LDB: Largest compute 4820 load 0.032486 is 27.6% of average load 0.117826 LDB: Average compute 0.001740 is 1.5% of average load 0.117826 LDB: TIME 2399.61 LOAD: AVG 0.117826 MAX 0.195287 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 2399.61 LOAD: AVG 0.117826 MAX 0.195287 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.426 MB LDB: TIME 2399.61 LOAD: AVG 0.117826 MAX 0.195287 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2399.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2399.61 PRESSURE: 808400 117.698 17.3938 -175.355 17.3936 298.515 -45.3998 -175.356 -45.4008 78.1437 GPRESSURE: 808400 167.647 32.2354 -220.092 -12.9379 333.315 -121.985 -111.325 -12.5998 104.392 PRESSAVG: 808400 -22.1088 -32.5613 1.81766 -32.5613 63.3229 -44.0362 1.81762 -44.0361 -15.6682 GPRESSAVG: 808400 -22.2145 -31.7162 0.655536 -32.6413 63.9781 -45.9246 0.880895 -41.6332 -15.5923 TIMING: 808400 CPU: 2396.48, 0.0030056/step Wall: 2396.48, 0.0030056/step, 3.49952 hours remaining, 205.550781 MB of memory in use. ENERGY: 808400 743.4207 2053.5394 1931.5799 102.3622 -206696.6271 18138.7312 0.0000 0.0000 34321.5130 -149405.4807 299.7383 -183726.9937 -149302.0638 299.1034 164.7855 201.7846 556140.3379 8.5153 8.7237 PRESSURE: 808600 -67.6991 -91.43 -76.3239 -91.4304 106.945 14.6843 -76.3231 14.6847 -299.722 GPRESSURE: 808600 -50.0532 -135.542 -116.171 -118.987 105.591 -44.6545 -40.2312 94.8071 -224.624 PRESSAVG: 808600 40.4365 9.69043 -14.0335 9.69033 48.2057 -56.0171 -14.0334 -56.0172 -78.0236 GPRESSAVG: 808600 41.9322 8.70049 -14.376 11.1457 46.3929 -54.4143 -13.1763 -56.9392 -77.8505 TIMING: 808600 CPU: 2397.08, 0.00297022/step Wall: 2397.08, 0.00297022/step, 3.45816 hours remaining, 205.550781 MB of memory in use. ENERGY: 808600 771.3437 2113.9714 1972.2893 110.1971 -206284.6979 17943.6931 0.0000 0.0000 34135.4960 -149237.7072 298.1138 -183373.2032 -149139.9924 298.1381 -86.8255 -56.3620 558332.2813 3.5395 3.4915 PRESSURE: 808800 54.9868 -53.1526 280.827 -53.1525 -207.26 102.194 280.827 102.194 -30.536 GPRESSURE: 808800 166.384 -32.6316 284.583 -61.9198 -175.506 109.523 310.632 110.388 -69.8518 PRESSAVG: 808800 42.6513 -30.2805 17.4112 -30.2806 -57.215 19.3272 17.4113 19.3274 19.9099 GPRESSAVG: 808800 41.5534 -30.5808 16.363 -31.6677 -56.3362 18.1987 20.2178 19.9825 20.5734 TIMING: 808800 CPU: 2397.67, 0.00296454/step Wall: 2397.67, 0.00296454/step, 3.45138 hours remaining, 205.550781 MB of memory in use. ENERGY: 808800 749.9241 2130.5144 1964.8904 105.1648 -206233.9759 17887.9956 0.0000 0.0000 34089.3449 -149306.1417 297.7107 -183395.4866 -149210.8086 297.9712 -60.9362 -26.3246 557646.1117 1.7821 1.9302 PRESSURE: 809000 242.772 5.67581 87.2557 5.67583 -244.96 -84.1481 87.2558 -84.1486 -38.888 GPRESSURE: 809000 220.177 43.7388 0.765249 -13.9824 -218.624 -49.0266 36.6908 -58.8422 57.7467 PRESSAVG: 809000 16.4836 -41.6312 2.05361 -41.6313 -27.7108 -26.2296 2.05363 -26.2295 49.9112 GPRESSAVG: 809000 17.5681 -39.7712 2.53432 -40.7715 -26.6405 -24.7949 0.681258 -29.5822 47.6571 TIMING: 809000 CPU: 2398.26, 0.00295792/step Wall: 2398.26, 0.00295792/step, 3.44351 hours remaining, 205.550781 MB of memory in use. ENERGY: 809000 711.7818 2126.5944 1944.9091 118.7751 -206421.6360 17763.2864 0.0000 0.0000 34519.4150 -149236.8742 301.4666 -183756.2892 -149143.7979 299.5253 -13.6919 19.7667 556368.6418 12.8947 12.8616 PRESSURE: 809200 -57.6463 124.166 -165.966 124.168 23.659 -129.409 -165.965 -129.409 145.24 GPRESSURE: 809200 7.54941 63.4582 -118.302 93.881 43.6049 -43.7911 -144.364 -143.326 150.459 PRESSAVG: 809200 54.002 -17.4647 56.0961 -17.4647 -46.115 -69.7178 56.0961 -69.7179 23.2781 GPRESSAVG: 809200 51.9991 -18.835 57.2465 -17.1742 -45.9795 -69.1223 53.76 -69.7926 24.6225 TIMING: 809200 CPU: 2398.86, 0.00298458/step Wall: 2398.86, 0.00298458/step, 3.47438 hours remaining, 205.550781 MB of memory in use. ENERGY: 809200 702.4503 2154.5507 1941.8877 106.1289 -205842.4170 17676.1995 0.0000 0.0000 34320.7094 -148940.4905 299.7313 -183261.1998 -148843.4209 299.4429 37.0843 67.2045 556670.0281 10.3884 10.2140 PRESSURE: 809400 -53.2526 -10.2834 57.1332 -10.282 -201.396 27.2323 57.1309 27.234 -70.6853 GPRESSURE: 809400 -34.1079 9.0242 52.2167 -39.5336 -140.896 2.54058 140.621 36.559 -62.3023 PRESSAVG: 809400 -18.2097 -4.23709 51.5697 -4.23705 -4.40346 -7.62109 51.5697 -7.62106 0.77338 GPRESSAVG: 809400 -16.78 -3.10207 49.9058 -6.96067 -4.35238 -10.092 53.166 -4.86373 -0.886179 TIMING: 809400 CPU: 2399.45, 0.00297419/step Wall: 2399.45, 0.00297419/step, 3.46212 hours remaining, 205.550781 MB of memory in use. ENERGY: 809400 744.5634 2101.5303 1940.5986 118.9228 -205200.0677 17378.8144 0.0000 0.0000 34202.3714 -148713.2667 298.6978 -182915.6382 -148615.8692 299.8230 -108.4447 -79.1020 558243.5189 -7.2799 -7.3395 PRESSURE: 809600 160.132 56.5371 97.9375 56.5367 293.422 -3.49546 97.9377 -3.49586 -63.9349 GPRESSURE: 809600 203.859 53.7891 87.3104 14.2247 265.687 -2.74464 48.0827 17.1757 11.6013 PRESSAVG: 809600 10.6257 38.0421 16.6238 38.042 22.2376 -53.5573 16.6237 -53.5573 -69.8431 GPRESSAVG: 809600 10.9788 37.378 17.2758 39.3842 20.8039 -52.1372 17.3313 -54.9741 -68.8489 TIMING: 809600 CPU: 2400.04, 0.00293877/step Wall: 2400.04, 0.00293877/step, 3.42073 hours remaining, 205.550781 MB of memory in use. ENERGY: 809600 734.4227 2130.6033 1967.6119 111.6692 -206114.0677 17862.1268 0.0000 0.0000 34548.5302 -148759.1036 301.7209 -183307.6339 -148661.8975 300.7283 129.8732 160.3827 556751.3581 -12.3266 -12.3554 PRESSURE: 809800 -9.28087 -21.2821 6.18494 -21.2809 -9.3089 -111.589 6.18425 -111.59 -88.2631 GPRESSURE: 809800 -24.9735 17.0708 69.2705 -41.5879 71.7009 -89.9479 -95.4101 -142.84 -53.9471 PRESSAVG: 809800 -17.6263 -6.90157 -21.5204 -6.90156 34.9638 -10.7393 -21.5205 -10.7392 -1.03478 GPRESSAVG: 809800 -18.0826 -6.13452 -21.0696 -8.1554 37.4087 -9.71203 -23.2663 -9.97082 -3.04605 TIMING: 809800 CPU: 2400.63, 0.00295459/step Wall: 2400.63, 0.00295459/step, 3.43898 hours remaining, 205.550781 MB of memory in use. ENERGY: 809800 764.5954 2067.9243 1941.0751 113.9710 -205991.2395 17883.1771 0.0000 0.0000 34307.3354 -148913.1612 299.6145 -183220.4967 -148822.4836 300.3416 -35.6176 -2.4066 557731.3457 5.4342 5.4267 PRESSURE: 810000 68.0274 -16.414 -148.273 -16.4136 44.2493 13.7014 -148.273 13.7012 383.622 GPRESSURE: 810000 140.804 30.9635 -108.464 -27.1279 52.2296 -51.6757 -53.6213 36.3805 399.984 PRESSAVG: 810000 5.81827 59.0933 2.50195 59.0933 17.5332 -9.39857 2.50185 -9.39867 19.817 GPRESSAVG: 810000 5.65079 60.8264 3.3019 60.1739 16.5992 -8.45773 1.48634 -10.4767 20.8931 TIMING: 810000 CPU: 2401.22, 0.00294168/step Wall: 2401.22, 0.00294168/step, 3.42379 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: 810000 744.9062 2118.5028 1960.9640 111.1100 -206414.2673 18094.3267 0.0000 0.0000 34369.0172 -149015.4403 300.1532 -183384.4575 -148924.2948 299.8277 165.2997 197.6724 557706.3299 14.3895 14.3811 PRESSURE: 810200 -148.437 64.596 -19.9733 64.5969 217.788 -80.7373 -19.9747 -80.737 75.0322 GPRESSURE: 810200 -149.283 131.921 -17.7704 16.8184 212.222 -88.4191 25.3837 -39.668 169.845 PRESSAVG: 810200 -27.3832 10.4581 -14.5529 10.4582 49.2552 16.9147 -14.553 16.9147 -2.43862 GPRESSAVG: 810200 -26.7362 8.79606 -14.5942 9.87293 48.3313 15.2546 -13.0856 17.0119 -2.21155 TIMING: 810200 CPU: 2401.81, 0.00292921/step Wall: 2401.81, 0.00292921/step, 3.40911 hours remaining, 205.550781 MB of memory in use. ENERGY: 810200 730.2375 2036.7719 1968.8487 125.3562 -206220.0345 17845.5106 0.0000 0.0000 34390.5172 -149122.7924 300.3409 -183513.3096 -149027.7636 299.9126 48.1277 77.5946 556848.2323 6.4778 6.4612 PRESSURE: 810400 -152.629 -86.479 -2.21789 -86.4774 -382.363 84.4675 -2.21853 84.467 -124.071 GPRESSURE: 810400 -153.364 -43.3503 -114.338 -106.212 -313.27 76.6131 86.7711 71.4939 -96.0442 PRESSAVG: 810400 -12.1287 36.9379 -9.50373 36.9379 50.4045 -10.184 -9.50366 -10.1841 -16.5756 GPRESSAVG: 810400 -12.1109 36.5911 -13.2366 38.642 52.1614 -10.5856 -9.52597 -10.3373 -18.2534 TIMING: 810400 CPU: 2402.4, 0.00296954/step Wall: 2402.4, 0.00296954/step, 3.45588 hours remaining, 205.550781 MB of memory in use. ENERGY: 810400 751.3039 2073.1973 1939.4086 104.5005 -206147.6895 17633.3728 0.0000 0.0000 34290.4947 -149355.4116 299.4674 -183645.9063 -149256.4828 299.6785 -219.6876 -187.5592 557596.9303 7.2334 7.2657 PRESSURE: 810600 242.368 5.75895 -13.974 5.75863 283.617 91.761 -13.974 91.7596 46.5326 GPRESSURE: 810600 209.903 -14.3258 5.83727 -8.88536 393.337 112.335 59.0351 -41.5833 58.8321 PRESSAVG: 810600 -17.6701 51.8745 41.8913 51.8745 23.9211 35.6955 41.8912 35.6955 6.76217 GPRESSAVG: 810600 -17.988 51.8891 46.4082 50.4062 22.9474 34.8151 40.5538 35.581 7.716 TIMING: 810600 CPU: 2403, 0.00298875/step Wall: 2403, 0.00298875/step, 3.47807 hours remaining, 205.550781 MB of memory in use. ENERGY: 810600 759.7614 2125.2079 1954.0140 124.2504 -206806.6139 18247.1759 0.0000 0.0000 34197.3041 -149398.9003 298.6536 -183596.2044 -149304.6364 299.4085 190.8389 220.6904 556364.7687 4.3377 4.2251 PRESSURE: 810800 73.121 139.794 194.302 139.795 -207.245 -7.75615 194.302 -7.757 -255.083 GPRESSURE: 810800 82.1691 151.361 191.688 126.945 -161.24 -73.4031 125.738 -0.65536 -214.647 PRESSAVG: 810800 27.1221 54.8135 12.9882 54.8136 -27.5829 45.1748 12.9881 45.175 -0.965922 GPRESSAVG: 810800 27.2499 55.1389 11.6489 55.9732 -28.6128 43.7093 13.8621 46.5795 -0.964786 TIMING: 810800 CPU: 2403.59, 0.00297296/step Wall: 2403.59, 0.00297296/step, 3.45953 hours remaining, 205.550781 MB of memory in use. ENERGY: 810800 724.7039 2115.4685 1945.5353 104.0503 -206048.5480 17561.0445 0.0000 0.0000 34204.6776 -149393.0680 298.7180 -183597.7455 -149300.1341 298.9291 -129.7357 -97.9060 557533.5569 -0.4756 -0.7759 PRESSURE: 811000 -98.6258 45.9322 38.2217 45.9308 -153.902 117.841 38.2233 117.84 47.8813 GPRESSURE: 811000 -126.785 116.204 59.8225 -8.56594 -85.8033 43.5898 -2.76829 147.345 101.167 PRESSAVG: 811000 3.96558 11.9775 -0.34845 11.9776 3.59975 61.8376 -0.348445 61.8376 -21.6349 GPRESSAVG: 811000 3.32393 12.3903 -0.744873 9.18737 3.54142 61.7657 0.407819 63.005 -20.8629 TIMING: 811000 CPU: 2404.18, 0.00295842/step Wall: 2404.18, 0.00295842/step, 3.44244 hours remaining, 205.550781 MB of memory in use. ENERGY: 811000 742.4988 2084.0938 1956.9807 122.0398 -206483.4581 17874.0028 0.0000 0.0000 34342.3012 -149361.5410 299.9199 -183703.8423 -149260.7219 298.8990 -68.2156 -37.1405 557109.2985 -4.6899 -4.6658 PRESSURE: 811200 129.342 -10.8744 -7.71001 -10.8737 156.23 -29.5886 -7.7127 -29.589 41.8214 GPRESSURE: 811200 76.6009 24.814 -88.1671 -9.54543 196.566 4.84866 10.9531 -69.0411 142.095 PRESSAVG: 811200 -15.4432 76.8652 -8.606 76.8651 -14.4494 37.7748 -8.60603 37.7749 41.5402 GPRESSAVG: 811200 -13.851 75.3623 -7.68167 77.5048 -15.4586 38.0493 -10.4931 35.9201 40.7541 TIMING: 811200 CPU: 2404.78, 0.00296461/step Wall: 2404.78, 0.00296461/step, 3.44949 hours remaining, 205.550781 MB of memory in use. ENERGY: 811200 756.6788 2117.1859 1972.9898 92.3519 -206471.2419 17976.5571 0.0000 0.0000 34196.2117 -149359.2667 298.6440 -183555.4784 -149252.1569 299.1510 109.1310 138.4206 555480.9243 3.8825 3.8148 PRESSURE: 811400 -172.323 -151.957 -15.1715 -151.956 -266.471 -71.9399 -15.172 -71.9416 -188.07 GPRESSURE: 811400 -128.733 -133.555 -66.0151 -125.97 -211.564 -3.76957 -39.9015 -117.355 -188.051 PRESSAVG: 811400 -18.848 46.8093 -2.65487 46.8093 1.59438 -88.8545 -2.65484 -88.8546 30.0114 GPRESSAVG: 811400 -19.6871 47.0416 -3.38029 49.0487 1.68274 -86.6896 -2.10838 -88.9178 31.2455 TIMING: 811400 CPU: 2405.37, 0.00297207/step Wall: 2405.37, 0.00297207/step, 3.45801 hours remaining, 205.550781 MB of memory in use. ENERGY: 811400 782.6757 2092.9425 1944.5805 112.6661 -206180.7164 17591.4427 0.0000 0.0000 34199.7883 -149456.6206 298.6753 -183656.4089 -149367.4268 298.7449 -208.9548 -176.1159 556534.8274 4.2526 4.4137 PRESSURE: 811600 -115.112 126.94 22.4757 126.94 185.473 37.8997 22.4763 37.8986 -205.025 GPRESSURE: 811600 -66.1371 52.5947 16.7207 64.791 191.178 34.5634 -1.30068 28.5023 -147.752 PRESSAVG: 811600 -16.5578 53.1709 16.9592 53.1709 -26.8286 -5.1782 16.9592 -5.17811 54.8587 GPRESSAVG: 811600 -16.7198 51.9802 17.6259 51.3749 -26.6954 -8.33312 18.5578 -2.54729 54.9246 TIMING: 811600 CPU: 2405.96, 0.00295438/step Wall: 2405.96, 0.00295438/step, 3.43726 hours remaining, 205.550781 MB of memory in use. ENERGY: 811600 738.9132 2057.8636 1984.8696 103.8026 -206256.3772 17812.1552 0.0000 0.0000 34032.2726 -149526.5005 297.2123 -183558.7731 -149432.7885 298.7507 -44.8878 -7.5706 556403.9666 3.8241 3.8365 PRESSURE: 811800 -127.257 84.2761 31.0072 84.2769 265.054 -248.724 31.0081 -248.724 -6.1936 GPRESSURE: 811800 -69.4284 83.3841 6.87746 66.9953 298.252 -199.128 20.105 -255.497 5.02204 PRESSAVG: 811800 21.89 40.9488 -20.0773 40.9489 -17.4843 -0.214025 -20.0772 -0.213968 -42.7239 GPRESSAVG: 811800 21.369 42.3936 -20.2868 39.4314 -16.8126 2.47284 -21.6966 -2.85633 -42.8753 TIMING: 811800 CPU: 2406.56, 0.00296665/step Wall: 2406.56, 0.00296664/step, 3.45136 hours remaining, 205.550781 MB of memory in use. ENERGY: 811800 721.1812 2062.0346 1950.9638 109.3808 -206458.8870 18005.0524 0.0000 0.0000 34046.5795 -149563.6948 297.3372 -183610.2743 -149470.4296 298.0061 43.8681 77.9486 557606.8006 -12.7728 -12.7730 PRESSURE: 812000 137.573 -100.876 182.412 -100.875 -250.922 125.613 182.411 125.613 -112.814 GPRESSURE: 812000 139.15 -41.4549 100.182 -124.793 -156.686 65.2624 176.656 174.859 -103.078 PRESSAVG: 812000 23.9083 -35.4798 12.3422 -35.4798 83.3353 -9.78079 12.3423 -9.7808 -56.2645 GPRESSAVG: 812000 24.4603 -35.6018 12.098 -34.1899 83.1887 -7.73097 14.8886 -9.53606 -56.3318 TIMING: 812000 CPU: 2407.15, 0.00297416/step Wall: 2407.15, 0.00297416/step, 3.45994 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: 812000 747.0054 2061.0302 1951.1942 117.2355 -206427.9724 17870.1585 0.0000 0.0000 34269.3697 -149411.9787 299.2829 -183681.3484 -149307.2873 298.4192 -75.3876 -40.2045 557496.1470 16.9930 17.1057 PRESSURE: 812200 210.231 131.647 -79.92 131.647 192.964 22.2556 -79.9194 22.2557 272.402 GPRESSURE: 812200 244.44 99.499 29.0193 71.9655 256.788 41.8412 -83.5611 39.5089 290.783 PRESSAVG: 812200 36.8452 -61.3503 21.2045 -61.3504 29.7058 -6.42724 21.2045 -6.42732 -68.4289 GPRESSAVG: 812200 37.2016 -61.8377 23.7099 -60.6964 29.8877 -9.58289 19.6418 -6.03004 -69.4623 TIMING: 812200 CPU: 2407.75, 0.00297991/step Wall: 2407.75, 0.00297991/step, 3.46646 hours remaining, 205.550781 MB of memory in use. ENERGY: 812200 753.1029 2099.8795 1951.4520 112.8220 -207029.4179 18303.6641 0.0000 0.0000 34338.7954 -149469.7019 299.8892 -183808.4974 -149373.9396 298.3615 225.1991 264.0036 555775.0981 -0.6259 -0.7910 LDB: ============= START OF LOAD BALANCING ============== 2411.17 LDB: ============== END OF LOAD BALANCING =============== 2411.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2411.18 LDB: ============= START OF LOAD BALANCING ============== 2411.47 LDB: Largest compute 4820 load 0.032249 is 27.4% of average load 0.117825 LDB: Average compute 0.001733 is 1.5% of average load 0.117825 LDB: TIME 2411.48 LOAD: AVG 0.117825 MAX 0.197344 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 2411.48 LOAD: AVG 0.117825 MAX 0.197344 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 2411.48 LOAD: AVG 0.117825 MAX 0.197344 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: ============== END OF LOAD BALANCING =============== 2411.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2411.48 PRESSURE: 812400 -341.244 7.62201 -195.616 7.62193 -125.143 -81.5775 -195.615 -81.5767 -7.39326 GPRESSURE: 812400 -340.245 32.3529 -180.717 52.5005 -63.2274 -80.2378 -223.024 -177.965 29.2418 PRESSAVG: 812400 -2.45965 10.3536 -71.3651 10.3535 33.2092 -7.70205 -71.3651 -7.70201 -1.57501 GPRESSAVG: 812400 -2.38865 8.87135 -72.2357 10.7415 32.6997 -6.55255 -70.9092 -8.51294 -1.39229 TIMING: 812400 CPU: 2408.35, 0.00303726/step Wall: 2408.35, 0.00303726/step, 3.53301 hours remaining, 204.507812 MB of memory in use. ENERGY: 812400 707.0137 2078.4637 1932.7818 128.6519 -205878.8369 17379.4716 0.0000 0.0000 34162.5355 -149489.9185 298.3499 -183652.4541 -149391.4353 298.7171 -157.9268 -124.7434 556433.2666 9.7249 9.6396 PRESSURE: 812600 -129.124 90.2551 26.5094 90.2547 -326.982 -161.424 26.508 -161.426 -247.778 GPRESSURE: 812600 -94.5359 56.3451 39.9893 150.751 -298.881 -141.914 37.0735 -135.745 -219.929 PRESSAVG: 812600 40.8152 -7.33684 -18.0286 -7.33684 -10.7093 1.40314 -18.0285 1.40299 -37.7702 GPRESSAVG: 812600 40.8687 -7.29102 -16.3221 -9.33833 -11.5393 3.25034 -19.5213 2.26751 -37.0464 TIMING: 812600 CPU: 2408.95, 0.00297066/step Wall: 2408.95, 0.00297066/step, 3.45537 hours remaining, 204.507812 MB of memory in use. ENERGY: 812600 781.3497 2080.7923 1970.4825 112.6492 -205872.4341 17415.4431 0.0000 0.0000 34074.0905 -149437.6269 297.5775 -183511.7173 -149340.0997 299.4792 -234.6280 -204.4486 556534.5727 -2.5548 -2.5723 PRESSURE: 812800 -148.986 151.981 74.259 151.98 -154.009 66.4955 74.2584 66.494 44.424 GPRESSURE: 812800 -123.128 169.097 -45.9047 125.888 -127.516 44.6471 62.6506 116.074 91.6993 PRESSAVG: 812800 14.3801 39.2067 -40.1699 39.2068 22.3327 -0.446544 -40.1698 -0.446528 0.45323 GPRESSAVG: 812800 14.663 38.6739 -42.524 42.1372 21.6912 -3.47029 -38.5223 0.0356666 0.701261 TIMING: 812800 CPU: 2409.55, 0.00299483/step Wall: 2409.55, 0.00299483/step, 3.48332 hours remaining, 204.507812 MB of memory in use. ENERGY: 812800 740.8733 2096.3599 1972.5251 126.0094 -205998.1417 17546.9586 0.0000 0.0000 34166.0276 -149349.3877 298.3804 -183515.4153 -149249.5048 298.4714 -86.1902 -52.9815 557310.7454 12.3887 12.3518 PRESSURE: 813000 232.613 102.711 118.364 102.713 48.252 53.0046 118.365 53.0062 114.535 GPRESSURE: 813000 228.313 59.2976 109.681 133.951 87.7424 47.3239 59.9157 97.2101 163.798 PRESSAVG: 813000 33.7069 56.6642 -23.9637 56.6642 -3.43541 -18.5956 -23.9636 -18.5957 -26.3736 GPRESSAVG: 813000 33.1612 55.9247 -24.6804 54.552 -2.25818 -17.1422 -22.8924 -19.9537 -27.7857 TIMING: 813000 CPU: 2410.15, 0.0030093/step Wall: 2410.15, 0.0030093/step, 3.49998 hours remaining, 204.507812 MB of memory in use. ENERGY: 813000 744.5503 2113.8859 1984.7093 122.5080 -206293.5195 17901.6731 0.0000 0.0000 34165.7779 -149260.4150 298.3782 -183426.1930 -149173.5892 298.8702 131.7998 159.9512 555633.6077 1.2993 1.0391 PRESSURE: 813200 130.944 -34.1001 -28.7572 -34.1001 217.932 -74.8217 -28.7582 -74.8217 -28.014 GPRESSURE: 813200 190.906 -8.02975 -14.2678 -25.8244 207.022 -1.008 -54.7592 -78.9801 14.9308 PRESSAVG: 813200 -7.44266 19.4741 -28.1846 19.4741 5.81663 -17.8875 -28.1846 -17.8874 -0.24517 GPRESSAVG: 813200 -8.3331 20.9045 -27.8866 20.6153 5.59299 -17.8178 -29.266 -19.4108 0.840342 TIMING: 813200 CPU: 2410.75, 0.0029924/step Wall: 2410.75, 0.0029924/step, 3.48016 hours remaining, 204.507812 MB of memory in use. ENERGY: 813200 729.9862 2117.8507 1977.8966 118.5096 -206465.1090 17894.2478 0.0000 0.0000 34363.0553 -149263.5629 300.1011 -183626.6182 -149161.9377 299.3175 106.9540 137.6197 556592.4730 -0.6237 -0.6333 PRESSURE: 813400 -505.282 -37.5562 -130.228 -37.5552 -92.0364 -121.891 -130.228 -121.889 -283.191 GPRESSURE: 813400 -470.865 -41.8154 -180.416 -57.543 -111.448 -53.6091 -26.5712 -130.958 -205.649 PRESSAVG: 813400 -23.4849 43.8122 -45.2911 43.8122 107.141 29.7769 -45.291 29.7768 -84.2314 GPRESSAVG: 813400 -23.0825 46.5564 -44.1194 43.1168 106.865 29.5009 -45.7669 31.7063 -84.721 TIMING: 813400 CPU: 2411.35, 0.00299548/step Wall: 2411.35, 0.00299548/step, 3.48358 hours remaining, 204.507812 MB of memory in use. ENERGY: 813400 750.0556 2142.9057 1975.8957 107.5105 -206013.4933 17366.4571 0.0000 0.0000 34478.0333 -149192.6353 301.1052 -183670.6685 -149092.9175 299.7332 -293.5031 -262.6540 557782.5494 -0.1916 -0.3129 PRESSURE: 813600 -16.9938 -259.873 150.458 -259.874 13.8414 374.419 150.459 374.419 241.529 GPRESSURE: 813600 -56.5098 -171.893 95.7602 -306.029 56.4174 293.702 227.401 339.438 340.565 PRESSAVG: 813600 -63.0044 -11.9346 18.6929 -11.9346 72.107 3.60217 18.6929 3.60219 -40.588 GPRESSAVG: 813600 -62.3727 -12.8802 16.3515 -11.379 72.2098 4.66988 20.5629 1.41404 -41.1467 TIMING: 813600 CPU: 2411.94, 0.00298363/step Wall: 2411.94, 0.00298363/step, 3.46963 hours remaining, 204.507812 MB of memory in use. ENERGY: 813600 753.9892 2067.0734 1948.1979 112.9063 -206348.4744 18072.0392 0.0000 0.0000 34219.1216 -149175.1469 298.8441 -183394.2684 -149077.3430 299.7287 79.4589 113.4907 558370.5930 -10.4951 -10.4365 PRESSURE: 813800 -112.902 -15.3289 111.601 -15.3288 -222.326 -39.544 111.6 -39.5436 -293.776 GPRESSURE: 813800 -86.3528 -1.72005 141.767 -67.2295 -160.451 13.6932 81.3755 -67.7333 -287.622 PRESSAVG: 813800 -6.52859 -13.1318 -7.81027 -13.1318 82.388 38.3034 -7.81042 38.3034 -41.313 GPRESSAVG: 813800 -8.84744 -14.9754 -7.43207 -12.254 84.4012 38.4945 -8.60343 39.7584 -41.4351 TIMING: 813800 CPU: 2412.54, 0.00298632/step Wall: 2412.54, 0.00298632/step, 3.47259 hours remaining, 204.507812 MB of memory in use. ENERGY: 813800 779.6437 2095.4159 1971.7737 121.1160 -205807.6211 17533.2026 0.0000 0.0000 34086.4746 -149219.9947 297.6857 -183306.4692 -149120.2388 298.3238 -209.6682 -178.1421 559013.7718 11.5155 11.3729 PRESSURE: 814000 10.1193 153.863 127.773 153.862 -152.63 65.5295 127.773 65.5301 -245.321 GPRESSURE: 814000 49.7267 116.391 132.876 104.05 -92.6708 -2.35663 42.8876 115.388 -246.327 PRESSAVG: 814000 67.2957 57.1225 18.6516 57.1224 -42.3032 -30.0194 18.6517 -30.0194 -40.6605 GPRESSAVG: 814000 69.1502 58.2069 19.7739 57.0653 -44.4923 -29.8899 19.0827 -27.0653 -40.7271 TIMING: 814000 CPU: 2413.14, 0.00298186/step Wall: 2413.14, 0.00298186/step, 3.46724 hours remaining, 204.507812 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: 814000 758.7737 2183.5923 1936.1843 135.9365 -205675.0942 17392.2972 0.0000 0.0000 34056.4435 -149211.8668 297.4234 -183268.3102 -149112.5265 298.7453 -129.2772 -96.4236 557978.1088 -5.2227 -5.3564 PRESSURE: 814200 -349.863 35.2999 -72.7807 35.2996 -334.678 -61.4103 -72.7804 -61.4106 -330.614 GPRESSURE: 814200 -346.56 -55.855 -150.011 45.6371 -287.376 -54.3325 -88.1884 -67.4226 -279.784 PRESSAVG: 814200 0.0300809 28.766 -38.6025 28.766 -37.0283 8.11355 -38.6025 8.11356 8.95741 GPRESSAVG: 814200 -0.720054 27.0219 -39.2291 29.0987 -36.7504 4.59242 -39.8048 8.24381 9.19455 TIMING: 814200 CPU: 2413.74, 0.00300462/step Wall: 2413.74, 0.00300462/step, 3.49354 hours remaining, 204.507812 MB of memory in use. ENERGY: 814200 756.6277 2097.2732 1969.4958 111.9260 -205953.0183 17335.8890 0.0000 0.0000 34429.1730 -149252.6336 300.6785 -183681.8067 -149146.9191 299.0196 -338.3849 -304.5735 557993.7423 -9.3469 -9.4253 PRESSURE: 814400 -225.143 -157.196 -49.2728 -157.197 -148.351 157.766 -49.2715 157.765 -212.146 GPRESSURE: 814400 -177.566 -145.972 29.9161 -194.371 -114.344 135.512 -0.204539 272.69 -198.454 PRESSAVG: 814400 -1.01592 -0.533463 -35.785 -0.533491 56.0633 57.2827 -35.7851 57.2827 -38.3539 GPRESSAVG: 814400 -0.712491 1.0775 -34.3071 -0.0786427 54.5549 61.3932 -38.643 56.2058 -38.0576 TIMING: 814400 CPU: 2414.34, 0.00299273/step Wall: 2414.34, 0.00299273/step, 3.47955 hours remaining, 204.507812 MB of memory in use. ENERGY: 814400 777.9593 2139.2214 1950.2448 100.7751 -206402.3128 17839.7709 0.0000 0.0000 34242.4484 -149351.8928 299.0478 -183594.3412 -149254.0273 298.5788 -195.2134 -163.4546 559073.9034 5.5645 5.2616 PRESSURE: 814600 167.196 1.57018 14.0717 1.56869 -392.542 46.226 14.0716 46.2262 250.247 GPRESSURE: 814600 188.361 -37.4688 -24.914 6.42094 -329.985 3.07885 74.9822 101.572 254.712 PRESSAVG: 814600 -14.9681 -3.99363 25.6472 -3.99376 0.12567 33.0236 25.6472 33.0235 47.5776 GPRESSAVG: 814600 -15.7453 -5.41511 26.0471 -3.74104 0.360868 31.0576 27.1879 31.4194 47.409 TIMING: 814600 CPU: 2414.93, 0.00298491/step Wall: 2414.93, 0.00298491/step, 3.47029 hours remaining, 204.507812 MB of memory in use. ENERGY: 814600 754.3190 2122.5233 1961.8037 104.9341 -206302.6998 17995.7898 0.0000 0.0000 34097.3741 -149265.9557 297.7808 -183363.3299 -149171.7705 298.9113 8.3005 37.6959 558930.7039 10.9117 10.6748 PRESSURE: 814800 135.418 -79.9415 -52.8637 -79.9413 -168.53 72.409 -52.8637 72.4094 125.907 GPRESSURE: 814800 138.836 -137.635 -79.4509 -128.23 -67.0524 79.6719 -79.3726 80.0781 129.358 PRESSAVG: 814800 25.4482 -42.8531 2.76382 -42.8532 -43.4908 -10.4151 2.76383 -10.4151 14.541 GPRESSAVG: 814800 26.0376 -42.5941 0.37373 -41.6865 -42.6923 -10.5952 5.34716 -10.3432 12.9374 TIMING: 814800 CPU: 2415.53, 0.0029822/step Wall: 2415.53, 0.0029822/step, 3.46697 hours remaining, 204.507812 MB of memory in use. ENERGY: 814800 754.4105 2033.7502 1976.4313 111.5327 -206408.0500 17850.9517 0.0000 0.0000 34212.3902 -149468.5834 298.7853 -183680.9736 -149369.1556 298.3363 30.9316 67.0471 557232.5752 -1.1672 -1.2391 PRESSURE: 815000 -76.1765 -2.72052 -28.5141 -2.72123 -121.608 86.4025 -28.5144 86.4029 -195.611 GPRESSURE: 815000 -63.0046 -9.0109 5.87426 43.4545 -83.7276 125.974 16.4414 45.4921 -155.908 PRESSAVG: 815000 91.8515 20.0949 -10.6374 20.0949 -62.0718 -59.4077 -10.6373 -59.4078 -35.8985 GPRESSAVG: 815000 91.5183 19.6118 -10.6677 19.8049 -62.4948 -58.3769 -10.9347 -59.1161 -34.605 TIMING: 815000 CPU: 2416.13, 0.00297941/step Wall: 2416.13, 0.00297941/step, 3.46356 hours remaining, 204.507812 MB of memory in use. ENERGY: 815000 762.7397 2150.4207 1990.6921 122.7492 -206628.2974 17840.4738 0.0000 0.0000 34394.5428 -149366.6791 300.3761 -183761.2218 -149266.1271 298.5356 -131.1319 -100.8801 557317.5155 -2.0396 -1.8605 PRESSURE: 815200 -118.75 136.667 5.94469 136.667 113.746 -48.7926 5.94574 -48.7915 42.574 GPRESSURE: 815200 -40.4189 88.4464 -11.8502 125.775 67.3424 -46.4267 -41.4113 -51.7026 119.156 PRESSAVG: 815200 46.0059 40.4436 -47.3627 40.4436 -21.968 -29.7564 -47.3626 -29.7565 -3.51237 GPRESSAVG: 815200 47.327 42.3387 -45.0243 37.5494 -22.3391 -31.4586 -49.3071 -28.83 -4.38509 TIMING: 815200 CPU: 2416.72, 0.0029591/step Wall: 2416.72, 0.0029591/step, 3.43979 hours remaining, 204.507812 MB of memory in use. ENERGY: 815200 726.8100 2168.8226 1943.5295 118.5979 -206380.5929 17824.7166 0.0000 0.0000 34183.4729 -149414.6432 298.5328 -183598.1162 -149324.4255 299.0321 12.5234 48.6932 556526.8531 6.8419 6.8676 PRESSURE: 815400 -324.412 -9.92571 -121.528 -9.92632 -119.6 -80.875 -121.527 -80.8734 9.52382 GPRESSURE: 815400 -351.821 -63.4523 -133.899 34.6722 -72.7631 -132.66 -89.6677 -58.2364 80.6323 PRESSAVG: 815400 2.81039 -4.6266 -2.98361 -4.6266 -15.674 -4.31579 -2.98351 -4.31572 8.83112 GPRESSAVG: 815400 2.20641 -7.37878 -6.44776 -2.52674 -15.7399 -3.48987 0.0976063 -4.82513 9.68811 TIMING: 815400 CPU: 2417.31, 0.0029584/step Wall: 2417.31, 0.0029584/step, 3.43882 hours remaining, 204.507812 MB of memory in use. ENERGY: 815400 741.8941 2084.5168 1975.9396 108.1401 -206396.7219 17681.7443 0.0000 0.0000 34091.1932 -149713.2938 297.7269 -183804.4870 -149618.3956 298.6625 -144.8294 -114.6505 557531.2909 -1.3442 -1.2818 PRESSURE: 815600 -32.0063 17.4686 -182.476 17.4691 157.568 -121.011 -182.476 -121.012 367.795 GPRESSURE: 815600 9.95904 145.318 -176.435 -7.339 190.183 -132.364 -184.805 -34.9303 394.684 PRESSAVG: 815600 -30.3914 4.69948 -41.1083 4.69947 -20.7379 -6.17669 -41.1082 -6.17665 33.6071 GPRESSAVG: 815600 -30.0946 5.68808 -38.1006 3.42417 -21.1745 -5.8317 -43.3331 -6.66312 33.9134 TIMING: 815600 CPU: 2417.9, 0.00297803/step Wall: 2417.9, 0.00297803/step, 3.46146 hours remaining, 204.507812 MB of memory in use. ENERGY: 815600 743.4496 2124.6559 1940.7438 97.2031 -206948.7275 18168.8414 0.0000 0.0000 34213.9810 -149659.8527 298.7992 -183873.8337 -149574.2314 298.6169 164.4521 198.2754 555300.0682 -5.8407 -5.7852 PRESSURE: 815800 34.0547 -131.517 130.013 -131.52 62.8688 -62.6046 130.013 -62.6043 82.1367 GPRESSURE: 815800 63.6316 -208.592 151.805 -122.309 96.6228 -98.3151 40.8636 30.6938 127.322 PRESSAVG: 815800 -13.1537 31.4154 -66.0787 31.4154 21.4168 2.86105 -66.0787 2.86109 32.4419 GPRESSAVG: 815800 -13.3154 33.8504 -68.6874 30.702 20.4048 2.33689 -64.9145 4.22248 33.9206 TIMING: 815800 CPU: 2418.5, 0.00297556/step Wall: 2418.5, 0.00297556/step, 3.45842 hours remaining, 204.507812 MB of memory in use. ENERGY: 815800 747.3802 2058.2940 1979.1391 103.9262 -206552.5075 18031.5486 0.0000 0.0000 34171.1752 -149461.0442 298.4254 -183632.2194 -149372.4072 298.5983 59.6867 95.8590 555757.2163 13.5683 13.6700 PRESSURE: 816000 -247.151 -21.7534 -72.3066 -21.7523 38.4704 -115.507 -72.3056 -115.507 -211.746 GPRESSURE: 816000 -258.19 66.1528 -85.2052 -48.9941 87.7666 -115.607 -11.6507 -101.654 -165.3 PRESSAVG: 816000 -42.3446 9.76955 -0.656998 9.76964 78.1087 -43.6585 -0.657072 -43.6585 -29.3355 GPRESSAVG: 816000 -42.6178 10.6442 -0.709274 10.7664 78.9707 -41.1457 -0.27285 -45.2988 -29.6691 TIMING: 816000 CPU: 2419.1, 0.00298392/step Wall: 2419.1, 0.00298392/step, 3.46798 hours remaining, 204.507812 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: 816000 732.7801 2047.4877 1978.7008 117.6611 -206224.7527 17724.2104 0.0000 0.0000 34208.7072 -149415.2053 298.7531 -183623.9125 -149319.5726 298.6705 -140.1421 -111.9078 558252.5089 2.1429 2.2279 PRESSURE: 816200 212.16 86.9689 105.003 86.9689 -121.37 -11.0513 105.002 -11.0531 -166.195 GPRESSURE: 816200 232.036 123.21 25.3717 -8.97646 -38.1647 -16.9661 149.702 -30.8329 -170.182 PRESSAVG: 816200 -53.6326 38.4532 25.8265 38.4533 5.84648 37.5952 25.8264 37.5952 -11.1973 GPRESSAVG: 816200 -52.7448 34.5497 27.38 41.0111 6.70259 34.8799 24.636 38.7736 -12.6478 TIMING: 816200 CPU: 2419.69, 0.00297386/step Wall: 2419.69, 0.00297386/step, 3.45612 hours remaining, 204.507812 MB of memory in use. ENERGY: 816200 768.7783 2095.0985 1962.4209 110.0142 -206489.1324 18022.1161 0.0000 0.0000 34330.5610 -149200.1433 299.8173 -183530.7043 -149109.0279 299.5856 -25.1349 7.8963 557321.1499 -19.6611 -19.5633 LDB: ============= START OF LOAD BALANCING ============== 2423.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2423.12 LDB: =============== DONE WITH MIGRATION ================ 2423.12 LDB: ============= START OF LOAD BALANCING ============== 2423.41 LDB: Largest compute 4820 load 0.031716 is 26.9% of average load 0.117954 LDB: Average compute 0.001736 is 1.5% of average load 0.117954 LDB: TIME 2423.42 LOAD: AVG 0.117954 MAX 0.197115 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.793 MB LDB: TIME 2423.42 LOAD: AVG 0.117954 MAX 0.197115 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.797 MB LDB: TIME 2423.42 LOAD: AVG 0.117954 MAX 0.197115 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.797 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2423.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2423.42 PRESSURE: 816400 -70.3788 178.587 81.4612 178.586 35.4077 -42.7786 81.4611 -42.781 -211.814 GPRESSURE: 816400 -20.282 98.21 139.202 250.068 66.9665 -4.31671 80.1857 -97.871 -185.777 PRESSAVG: 816400 38.9578 20.6929 16.389 20.6929 6.68849 19.4767 16.389 19.4767 -45.5946 GPRESSAVG: 816400 37.0391 22.2985 17.3075 16.3549 6.91428 19.9666 16.4393 18.9781 -43.2012 TIMING: 816400 CPU: 2420.29, 0.00301411/step Wall: 2420.29, 0.00301412/step, 3.50274 hours remaining, 205.222656 MB of memory in use. ENERGY: 816400 764.4560 2057.1242 1947.6601 116.2059 -206455.9408 17892.6900 0.0000 0.0000 34479.3652 -149198.4395 301.1169 -183677.8047 -149096.1485 299.8862 -82.2617 -46.3641 556889.0800 0.0173 0.2507 PRESSURE: 816600 -88.3821 116.101 25.8291 116.102 -61.1089 31.527 25.8294 31.5276 -23.2655 GPRESSURE: 816600 -110.966 90.1508 -35.5626 23.2694 -40.8828 44.3806 94.6067 75.0801 71.5487 PRESSAVG: 816600 2.13004 87.3176 16.5545 87.3175 -51.342 -18.5725 16.5544 -18.5725 21.4553 GPRESSAVG: 816600 3.97896 86.0304 13.724 88.2398 -52.2335 -18.9875 17.8851 -18.4664 20.3582 TIMING: 816600 CPU: 2420.89, 0.00296908/step Wall: 2420.89, 0.00296908/step, 3.45024 hours remaining, 205.222656 MB of memory in use. ENERGY: 816600 720.2903 2068.0036 1969.9505 105.7290 -206038.7225 17716.2563 0.0000 0.0000 34280.0935 -149178.3993 299.3766 -183458.4928 -149086.0786 300.4229 -57.5855 -26.7668 557669.1717 -9.2522 -9.2988 PRESSURE: 816800 85.0051 -1.3591 75.1312 -1.35908 210.382 -62.2078 75.1326 -62.2063 -91.4367 GPRESSURE: 816800 144.788 26.6295 65.1031 23.1885 212.786 -1.85356 19.339 -102.685 -52.3429 PRESSAVG: 816800 16.7712 43.7155 11.5899 43.7155 -1.21134 1.78676 11.59 1.78669 7.9041 GPRESSAVG: 816800 16.3945 45.409 11.4888 45.7042 -1.48179 2.31962 11.0403 2.47613 8.38602 TIMING: 816800 CPU: 2421.48, 0.00297237/step Wall: 2421.48, 0.00297237/step, 3.45389 hours remaining, 205.222656 MB of memory in use. ENERGY: 816800 762.0697 2064.2045 1941.5409 120.3610 -205969.8915 17685.5025 0.0000 0.0000 34260.2497 -149135.9632 299.2033 -183396.2129 -149048.6799 299.0609 67.9834 101.7437 557533.5034 7.8213 7.7662 PRESSURE: 817000 34.4417 -35.9185 37.5811 -35.9185 41.9888 124.191 37.5815 124.192 209.08 GPRESSURE: 817000 80.0206 -33.31 57.7172 5.8172 95.345 102.783 31.6782 80.2951 211.603 PRESSAVG: 817000 17.398 34.5007 33.0629 34.5006 6.26805 -19.5387 33.063 -19.5388 27.6746 GPRESSAVG: 817000 17.0902 34.2201 35.6729 32.4745 6.88296 -21.5266 33.1595 -19.5587 28.002 TIMING: 817000 CPU: 2422.07, 0.00295747/step Wall: 2422.07, 0.00295747/step, 3.43641 hours remaining, 205.222656 MB of memory in use. ENERGY: 817000 766.1115 2161.5909 1943.5777 108.7165 -206196.7670 17828.4756 0.0000 0.0000 34358.1509 -149030.1440 300.0583 -183388.2949 -148931.7802 299.4091 95.1700 128.9894 558087.8533 17.1136 17.3251 PRESSURE: 817200 -92.351 -42.886 -25.9365 -42.8857 -339.223 -110.273 -25.9373 -110.273 -228.582 GPRESSURE: 817200 -101.214 34.8828 -1.28611 -72.048 -278.884 -171.524 8.09851 -27.6169 -180.795 PRESSAVG: 817200 36.0781 -1.66515 8.74688 -1.66518 -39.9029 21.6165 8.74676 21.6165 -13.1969 GPRESSAVG: 817200 36.8617 -2.36275 5.5584 -2.32867 -40.0714 23.566 8.11031 20.7593 -14.0338 TIMING: 817200 CPU: 2422.67, 0.00297768/step Wall: 2422.67, 0.00297769/step, 3.45974 hours remaining, 205.222656 MB of memory in use. ENERGY: 817200 768.9023 2156.4970 1937.9573 109.5026 -205830.6457 17540.2081 0.0000 0.0000 34209.6005 -149107.9781 298.7610 -183317.5786 -149014.0732 299.6686 -220.0519 -186.9644 559771.2330 -5.6739 -5.7478 PRESSURE: 817400 -419.973 -9.80102 -25.3129 -9.80037 -143.25 5.85872 -25.3128 5.85693 -143.666 GPRESSURE: 817400 -410.24 -13.0953 -24.7356 -32.2677 -77.6821 -56.3722 -73.5178 -11.2911 -119.104 PRESSAVG: 817400 28.0675 -17.0208 -79.9576 -17.0207 -25.3317 24.8898 -79.9577 24.8898 15.752 GPRESSAVG: 817400 27.2934 -15.0567 -77.6406 -16.0986 -24.5932 24.4786 -79.5028 23.9825 15.5734 TIMING: 817400 CPU: 2423.26, 0.00296718/step Wall: 2423.26, 0.00296718/step, 3.44737 hours remaining, 205.222656 MB of memory in use. ENERGY: 817400 757.4869 2089.1968 1975.0010 110.1879 -206273.8811 17720.3737 0.0000 0.0000 34365.6971 -149255.9376 300.1242 -183621.6348 -149160.6598 299.8544 -235.6294 -202.3421 557876.7907 6.1626 6.0912 PRESSURE: 817600 89.9725 75.7193 -4.69046 75.7185 77.0443 231.39 -4.691 231.389 -92.9671 GPRESSURE: 817600 176.917 26.7025 19.517 17.3257 92.3472 180.182 -29.9447 211.731 -100.981 PRESSAVG: 817600 11.9879 -13.179 -10.6342 -13.1791 -9.09231 -3.98136 -10.6342 -3.98149 20.9305 GPRESSAVG: 817600 11.5965 -13.6883 -10.1603 -13.8771 -9.10623 -3.85777 -10.2104 -4.5092 21.3255 TIMING: 817600 CPU: 2423.86, 0.00296958/step Wall: 2423.86, 0.00296958/step, 3.44999 hours remaining, 205.222656 MB of memory in use. ENERGY: 817600 753.5640 2127.3309 1945.6756 106.7718 -206530.1200 18021.0549 0.0000 0.0000 34097.9852 -149477.7377 297.7862 -183575.7228 -149386.5371 299.7900 24.6833 56.0943 556906.5594 7.9420 7.9386 PRESSURE: 817800 -74.6251 16.6045 62.0005 16.6043 66.1833 -6.28287 62.0007 -6.28224 -165.125 GPRESSURE: 817800 -70.1651 112.852 65.281 -59.8004 128.194 19.3684 56.6055 17.6457 -130.666 PRESSAVG: 817800 -19.329 -22.1983 -10.6628 -22.1983 66.6907 -7.58713 -10.6629 -7.58711 -20.7393 GPRESSAVG: 817800 -18.7279 -22.8881 -12.3905 -22.6571 66.0729 -6.85166 -12.4909 -6.69482 -20.9342 TIMING: 817800 CPU: 2424.45, 0.00297715/step Wall: 2424.45, 0.00297715/step, 3.45862 hours remaining, 205.222656 MB of memory in use. ENERGY: 817800 770.0454 2077.1888 2005.9048 120.6284 -206188.8198 17767.6614 0.0000 0.0000 34118.3587 -149329.0322 297.9641 -183447.3909 -149232.0858 299.1661 -57.8557 -24.2124 557201.0077 8.8741 8.8036 PRESSURE: 818000 -69.7401 58.9353 -57.9628 58.9367 -81.6969 100.479 -57.963 100.476 -91.6322 GPRESSURE: 818000 -81.8695 -24.965 -102.101 58.1174 -31.3842 106.903 -42.9264 157.633 -44.6076 PRESSAVG: 818000 2.39117 5.56892 36.4212 5.56896 -33.1939 -10.7789 36.4212 -10.779 39.5234 GPRESSAVG: 818000 2.85076 6.55212 34.606 4.61371 -33.4628 -10.294 40.39 -10.923 39.054 TIMING: 818000 CPU: 2425.05, 0.00297609/step Wall: 2425.05, 0.00297609/step, 3.45723 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: 818000 754.9333 2087.3738 1989.6697 111.0101 -206089.3169 17766.1741 0.0000 0.0000 34086.5814 -149293.5745 297.6866 -183380.1559 -149197.3784 298.2146 -81.0231 -52.6204 558144.4289 2.9069 2.8140 PRESSURE: 818200 30.9045 52.9111 -32.9002 52.9116 -131.075 46.0282 -32.9003 46.0291 90.9146 GPRESSURE: 818200 42.0849 111.868 -58.2175 42.3933 -86.0153 -25.54 -14.1278 64.1522 124.907 PRESSAVG: 818200 -11.7135 9.64502 20.5343 9.645 15.5787 -1.06124 20.5344 -1.06128 21.811 GPRESSAVG: 818200 -12.9011 10.2026 22.5512 10.9931 16.7969 -2.89202 18.9769 -0.317591 21.876 TIMING: 818200 CPU: 2425.64, 0.00297953/step Wall: 2425.64, 0.00297953/step, 3.46106 hours remaining, 205.222656 MB of memory in use. ENERGY: 818200 756.0387 2092.8646 1951.9185 106.1417 -206286.4417 17889.6040 0.0000 0.0000 34117.3140 -149372.5603 297.9550 -183489.8742 -149280.9454 298.9328 -3.0854 26.9924 557642.3993 8.5587 8.5906 PRESSURE: 818400 -199.086 261.514 19.2301 261.514 -65.4573 53.0051 19.2292 53.0065 -194.775 GPRESSURE: 818400 -203.748 268.539 28.1808 222.433 10.4241 0.812081 49.7183 -0.444906 -166.92 PRESSAVG: 818400 27.5388 42.9643 5.35656 42.9644 18.9318 9.35487 5.35653 9.35499 15.9859 GPRESSAVG: 818400 28.7398 42.3661 5.94682 41.7007 19.1957 11.2739 4.44027 8.41394 15.1947 TIMING: 818400 CPU: 2426.24, 0.00296178/step Wall: 2426.24, 0.00296178/step, 3.44027 hours remaining, 205.222656 MB of memory in use. ENERGY: 818400 762.6365 2066.8794 1940.3450 97.6436 -206116.1592 17707.3649 0.0000 0.0000 34050.4891 -149490.8006 297.3714 -183541.2897 -149392.4531 298.4592 -153.1059 -120.0816 558831.9629 20.8188 21.0434 PRESSURE: 818600 8.25029 103.393 -96.7917 103.392 47.4988 1.77382 -96.7895 1.77322 -46.4766 GPRESSURE: 818600 -21.9474 102.894 -24.4159 85.5202 158.042 -37.3904 -95.959 -33.0281 -32.7213 PRESSAVG: 818600 5.78115 50.7753 43.8938 50.7753 -28.6555 -16.5114 43.8939 -16.5113 -0.760688 GPRESSAVG: 818600 4.76521 49.6579 43.3113 51.5085 -27.7539 -15.5885 43.7531 -17.5817 -0.983028 TIMING: 818600 CPU: 2426.83, 0.00295879/step Wall: 2426.83, 0.00295879/step, 3.43664 hours remaining, 205.222656 MB of memory in use. ENERGY: 818600 754.8348 2037.1425 1961.7628 125.6945 -206247.1267 17864.4202 0.0000 0.0000 34140.2895 -149362.9824 298.1556 -183503.2719 -149270.9142 298.4059 3.0908 34.4579 559130.7126 -7.8784 -7.9906 PRESSURE: 818800 254.847 83.9344 14.5204 83.9339 64.5639 52.7035 14.5197 52.7043 194.801 GPRESSURE: 818800 276.053 -0.444205 28.0934 125.553 114.714 100.417 34.6802 61.1969 219.135 PRESSAVG: 818800 45.8016 -4.26005 -14.9327 -4.26022 -26.2033 26.7986 -14.9328 26.7987 24.919 GPRESSAVG: 818800 46.4662 -2.94209 -13.4088 -2.27379 -27.4825 26.7161 -14.3355 29.2145 25.4532 TIMING: 818800 CPU: 2427.42, 0.00295904/step Wall: 2427.42, 0.00295904/step, 3.43676 hours remaining, 205.222656 MB of memory in use. ENERGY: 818800 742.3935 2070.1400 1960.7036 129.7787 -206487.8561 18020.1465 0.0000 0.0000 34180.5753 -149384.1185 298.5075 -183564.6938 -149286.5397 298.9857 171.4039 203.3006 555774.1848 14.8391 14.8123 PRESSURE: 819000 -125.375 56.4042 100.019 56.4031 -239.031 -53.4304 100.018 -53.4302 -168.996 GPRESSURE: 819000 -98.4921 49.8954 99.1556 61.4922 -222.912 -31.9812 77.1787 -141.955 -122.587 PRESSAVG: 819000 28.158 54.397 -27.7984 54.397 12.5111 -7.06507 -27.7984 -7.0651 -47.3176 GPRESSAVG: 819000 28.4665 52.3605 -29.8904 54.9965 11.5456 -8.99954 -26.9383 -7.19624 -46.8436 TIMING: 819000 CPU: 2428.01, 0.00295921/step Wall: 2428.01, 0.00295921/step, 3.43679 hours remaining, 205.222656 MB of memory in use. ENERGY: 819000 768.9985 2103.5456 1952.7395 116.8957 -206313.9430 17697.0504 0.0000 0.0000 34359.2251 -149315.4881 300.0677 -183674.7132 -149214.8428 299.4624 -177.8006 -147.9972 557968.9886 -2.2162 -2.2772 PRESSURE: 819200 10.8834 112.089 -68.5331 112.089 -196.011 25.9684 -68.5338 25.9688 -32.409 GPRESSURE: 819200 8.12425 136.977 -106.911 150.314 -141.152 124.578 -41.3708 1.94204 15.2397 PRESSAVG: 819200 16.4357 4.8743 41.2627 4.87425 -1.70615 -19.1686 41.2627 -19.1686 -24.8091 GPRESSAVG: 819200 15.1616 5.62455 43.2399 2.63444 -1.21797 -18.4722 37.971 -19.3217 -24.0696 TIMING: 819200 CPU: 2428.6, 0.00294802/step Wall: 2428.6, 0.00294802/step, 3.42363 hours remaining, 205.222656 MB of memory in use. ENERGY: 819200 760.3243 2069.5941 1944.1448 124.5183 -206235.0303 17754.5698 0.0000 0.0000 34196.9540 -149384.9250 298.6505 -183581.8789 -149288.3267 299.1364 -72.5122 -39.2626 557554.5178 -3.3599 -3.3753 PRESSURE: 819400 245.368 101.41 43.6237 101.409 239.377 24.4034 43.6243 24.4031 73.3515 GPRESSURE: 819400 300.783 76.9474 98.9703 18.911 253.612 68.8025 68.9844 -14.5055 117.169 PRESSAVG: 819400 35.5949 -20.804 -13.2876 -20.8041 22.9488 31.1395 -13.2878 31.1395 -31.7542 GPRESSAVG: 819400 37.228 -20.3952 -14.1957 -20.6782 22.3323 30.0146 -11.0115 29.884 -32.8241 TIMING: 819400 CPU: 2429.19, 0.00295551/step Wall: 2429.19, 0.00295551/step, 3.43217 hours remaining, 205.222656 MB of memory in use. ENERGY: 819400 746.9893 2068.1849 1944.3048 120.9908 -206667.7407 18267.3378 0.0000 0.0000 34151.0638 -149368.8695 298.2497 -183519.9333 -149275.8172 298.8529 186.0321 223.8544 556758.9722 8.9298 8.9121 PRESSURE: 819600 145.658 40.8853 149.001 40.8837 47.5923 34.5725 149.003 34.5724 -97.5867 GPRESSURE: 819600 116.429 -48.4318 189.289 69.2968 101.305 -16.227 113.012 117.838 -23.7639 PRESSAVG: 819600 -59.2285 20.5854 9.565 20.5854 62.7818 -7.1772 9.56499 -7.17728 -10.8702 GPRESSAVG: 819600 -60.8258 20.7311 10.8436 21.5465 62.9655 -7.30611 7.024 -4.94589 -10.1416 TIMING: 819600 CPU: 2429.79, 0.00297291/step Wall: 2429.79, 0.00297291/step, 3.45221 hours remaining, 205.222656 MB of memory in use. ENERGY: 819600 755.9632 2100.3622 1959.5482 126.1661 -206980.6618 18084.9578 0.0000 0.0000 34513.7865 -149439.8778 301.4175 -183953.6643 -149344.1446 299.0019 31.8878 64.6568 557257.7749 -2.4390 -2.6673 PRESSURE: 819800 143.674 48.4306 -15.4008 48.4307 125.99 27.5725 -15.3993 27.5733 198.698 GPRESSURE: 819800 187.385 33.8266 -29.7748 93.2163 142.672 44.3439 1.81286 -10.8066 239.348 PRESSAVG: 819800 34.7043 -33.9189 30.9197 -33.9189 -24.8405 2.97285 30.9196 2.97293 -17.6574 GPRESSAVG: 819800 35.5137 -33.6214 30.552 -34.3192 -24.1461 4.71455 34.0961 -0.40117 -19.6663 TIMING: 819800 CPU: 2430.38, 0.00297245/step Wall: 2430.38, 0.00297245/step, 3.45151 hours remaining, 205.222656 MB of memory in use. ENERGY: 819800 735.1121 2057.8090 1951.6514 112.6235 -206228.2512 17932.1113 0.0000 0.0000 34121.2012 -149317.7427 297.9889 -183438.9439 -149228.9441 298.6417 156.1204 189.8019 556828.3017 -2.5979 -2.7663 PRESSURE: 820000 107.15 -79.0841 83.6479 -79.0834 244.731 160.016 83.6473 160.016 255.547 GPRESSURE: 820000 137.344 -108.315 18.0986 -19.3806 300.909 254.162 140.195 114.594 273.659 PRESSAVG: 820000 5.79484 25.079 -43.3463 25.0791 -31.9033 49.6447 -43.3462 49.6446 67.7524 GPRESSAVG: 820000 5.84003 22.4238 -43.6378 23.4694 -32.8055 48.3517 -44.1951 51.6995 68.7302 TIMING: 820000 CPU: 2430.98, 0.00297697/step Wall: 2430.98, 0.00297697/step, 3.45659 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: 820000 724.7631 2073.3764 1928.3570 113.7477 -206372.1243 18093.4216 0.0000 0.0000 34280.2941 -149158.1644 299.3783 -183438.4585 -149063.5497 299.0418 202.4763 237.3040 557589.3154 13.8813 13.9216 PRESSURE: 820200 -2.01279 -18.3838 101.849 -18.3833 -214.189 77.2543 101.849 77.2555 -8.00969 GPRESSURE: 820200 79.7406 -26.5793 104.356 -11.8656 -231.869 95.0914 92.3513 120.94 21.6608 PRESSAVG: 820200 46.6861 -35.7909 81.2437 -35.7908 -31.3949 -4.03628 81.2437 -4.03628 -30.9016 GPRESSAVG: 820200 47.3431 -36.4937 81.8067 -32.4618 -31.5155 -2.90698 81.2311 -4.23474 -31.6746 TIMING: 820200 CPU: 2431.57, 0.00297166/step Wall: 2431.57, 0.00297166/step, 3.45026 hours remaining, 205.222656 MB of memory in use. ENERGY: 820200 725.5409 2094.3659 1942.4143 122.3869 -205779.8684 17737.8320 0.0000 0.0000 34175.9061 -148981.4223 298.4667 -183157.3284 -148887.9597 299.3598 -74.7370 -43.4891 559171.7473 -5.2035 -5.2823 LDB: ============= START OF LOAD BALANCING ============== 2435 LDB: ============== END OF LOAD BALANCING =============== 2435 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2435 LDB: ============= START OF LOAD BALANCING ============== 2435.3 LDB: Largest compute 4820 load 0.033051 is 28.0% of average load 0.117903 LDB: Average compute 0.001730 is 1.5% of average load 0.117903 LDB: TIME 2435.3 LOAD: AVG 0.117903 MAX 0.199383 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 2435.3 LOAD: AVG 0.117903 MAX 0.199383 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.934 MB LDB: TIME 2435.3 LOAD: AVG 0.117903 MAX 0.199383 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.934 MB LDB: ============== END OF LOAD BALANCING =============== 2435.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2435.31 PRESSURE: 820400 202.521 -2.94441 46.7267 -2.94545 -61.4724 81.4183 46.7281 81.4178 31.8232 GPRESSURE: 820400 214.582 10.0592 127.589 60.3751 -41.1909 12.3984 45.41 146.12 106.01 PRESSAVG: 820400 -5.97559 4.6696 50.2732 4.66959 3.28645 -47.6012 50.2733 -47.6011 22.9271 GPRESSAVG: 820400 -6.28019 6.82284 50.5993 3.1429 3.18771 -48.337 48.9167 -47.1067 24.0332 TIMING: 820400 CPU: 2432.18, 0.00304676/step Wall: 2432.18, 0.00304676/step, 3.53728 hours remaining, 207.796875 MB of memory in use. ENERGY: 820400 747.3339 2144.2491 1915.9141 107.4762 -206031.6079 17859.8125 0.0000 0.0000 34334.5083 -148922.3139 299.8518 -183256.8222 -148830.5726 299.9737 57.6238 93.1337 557209.0235 6.7460 6.9802 PRESSURE: 820600 43.6305 38.2514 168.907 38.2511 -241.509 -20.7579 168.907 -20.7574 35.0091 GPRESSURE: 820600 53.1689 -13.7136 281.998 27.4638 -191.683 -82.0445 147.344 27.5613 68.417 PRESSAVG: 820600 118.673 26.9769 50.5183 26.9768 -78.1018 -20.0899 50.5184 -20.0899 -69.2477 GPRESSAVG: 820600 118.529 26.7023 50.8855 26.8037 -77.6537 -18.8417 51.7213 -21.9084 -69.0446 TIMING: 820600 CPU: 2432.78, 0.00298437/step Wall: 2432.78, 0.00298437/step, 3.46468 hours remaining, 207.867188 MB of memory in use. ENERGY: 820600 708.7213 2108.4513 1939.8591 107.0121 -206016.6886 17518.4195 0.0000 0.0000 34752.6683 -148881.5570 303.5037 -183634.2254 -148780.4609 300.8261 -54.2899 -23.3658 556327.1244 -9.5588 -9.3897 PRESSURE: 820800 -142.326 -30.0517 -106.416 -30.0506 113.165 -212.637 -106.417 -212.636 -14.3476 GPRESSURE: 820800 -57.1713 -4.64777 -152.297 -19.6823 125.777 -135.788 -124.089 -210.889 -5.64868 PRESSAVG: 820800 22.05 12.8509 20.7694 12.8509 -49.7174 -11.815 20.7693 -11.815 14.9725 GPRESSAVG: 820800 22.8118 13.2786 18.8433 13.9676 -51.2079 -13.7706 22.7415 -11.0863 14.9828 TIMING: 820800 CPU: 2433.37, 0.00298333/step Wall: 2433.37, 0.00298333/step, 3.46332 hours remaining, 207.867188 MB of memory in use. ENERGY: 820800 731.7771 2133.0688 1944.1956 123.5934 -205869.6438 17707.4411 0.0000 0.0000 34252.8266 -148976.7411 299.1385 -183229.5677 -148877.2146 300.0407 -14.5031 20.9857 557380.5525 -4.2316 -4.4711 PRESSURE: 821000 61.2883 -58.2882 62.7747 -58.2891 -20.0906 -150.79 62.7754 -150.79 3.80685 GPRESSURE: 821000 144.318 -115.85 13.7949 0.33393 19.0209 -62.9953 158.782 -199.202 -17.5929 PRESSAVG: 821000 26.3854 6.40779 47.8022 6.40779 57.9654 6.55403 47.8021 6.55396 -23.7275 GPRESSAVG: 821000 26.3914 5.77793 48.0944 5.90962 58.6321 8.00593 45.4425 8.73807 -23.9124 TIMING: 821000 CPU: 2433.96, 0.00294338/step Wall: 2433.96, 0.00294337/step, 3.41677 hours remaining, 207.867188 MB of memory in use. ENERGY: 821000 776.3714 2047.9548 1955.5059 114.1198 -206145.6898 17927.7694 0.0000 0.0000 34346.6959 -148977.2727 299.9582 -183323.9685 -148881.3597 299.8609 15.0015 48.5820 557286.9650 20.2078 20.3704 PRESSURE: 821200 -89.3226 -110.527 68.6303 -110.525 -213.251 -129.303 68.6311 -129.303 116.527 GPRESSURE: 821200 -80.4096 -49.3896 -21.8995 -130.325 -176.845 -188.164 -28.6124 -93.3724 177.242 PRESSAVG: 821200 -10.8856 -0.991098 37.5326 -0.991124 -33.8653 -7.15494 37.5327 -7.15493 45.1597 GPRESSAVG: 821200 -10.6943 -0.0300389 36.3709 -2.70607 -33.1316 -7.65018 37.6081 -6.72553 44.4631 TIMING: 821200 CPU: 2434.55, 0.00296107/step Wall: 2434.55, 0.00296107/step, 3.43714 hours remaining, 207.867188 MB of memory in use. ENERGY: 821200 762.2301 2136.7656 1970.1463 110.5995 -205849.9116 17643.0072 0.0000 0.0000 34091.6675 -149135.4954 297.7310 -183227.1628 -149046.2649 299.1803 -62.0156 -26.6711 556241.0114 0.1363 0.2124 PRESSURE: 821400 -152.522 112.09 -170.876 112.091 62.7712 62.7071 -170.875 62.7082 -341.44 GPRESSURE: 821400 -163.783 84.1849 -117.368 96.1739 63.0452 35.9915 -102.284 56.6567 -234.944 PRESSAVG: 821400 -49.1026 11.5395 -44.7674 11.5394 -29.8311 -4.47763 -44.7673 -4.47772 62.0859 GPRESSAVG: 821400 -49.3322 10.6938 -42.5883 13.6388 -29.8484 -4.21873 -44.819 -7.07538 62.3053 TIMING: 821400 CPU: 2435.14, 0.00295054/step Wall: 2435.14, 0.00295054/step, 3.42476 hours remaining, 207.867188 MB of memory in use. ENERGY: 821400 735.5096 2093.3476 1951.7647 115.0524 -205801.3099 17662.1340 0.0000 0.0000 34121.0895 -149122.4121 297.9880 -183243.5016 -149025.9975 299.0484 -143.7304 -111.8941 559247.7215 -5.6159 -5.6251 PRESSURE: 821600 -219.192 58.5469 -57.5738 58.5465 -127.947 119.761 -57.575 119.76 27.1834 GPRESSURE: 821600 -201.471 82.6821 -13.6695 37.4092 -100.952 128.802 -109.348 160.788 65.5933 PRESSAVG: 821600 -0.87014 15.0178 24.2669 15.0178 -6.73402 -8.17283 24.267 -8.17276 44.1067 GPRESSAVG: 821600 -0.407024 14.3046 24.9779 14.2433 -6.41437 -8.11758 23.5465 -8.43659 43.7833 TIMING: 821600 CPU: 2435.74, 0.00296184/step Wall: 2435.74, 0.00296184/step, 3.43771 hours remaining, 207.867188 MB of memory in use. ENERGY: 821600 738.9133 2146.2324 1947.7367 108.1943 -206106.0096 17778.8968 0.0000 0.0000 34184.8759 -149201.1603 298.5450 -183386.0362 -149106.8196 299.4828 -106.6517 -78.9434 558609.5061 12.1675 12.3206 PRESSURE: 821800 -62.7117 52.1181 236.198 52.1185 92.7627 -78.6609 236.199 -78.6609 -40.7788 GPRESSURE: 821800 -61.9407 -17.277 195.371 99.1823 92.1593 -93.3541 237.042 -75.9054 41.9379 PRESSAVG: 821800 20.0938 -25.9133 12.8321 -25.9133 -22.8092 3.08204 12.8322 3.08198 -11.1011 GPRESSAVG: 821800 18.4879 -26.0936 12.0292 -24.7133 -22.2455 2.62894 13.8651 3.8788 -10.2197 TIMING: 821800 CPU: 2436.33, 0.00297488/step Wall: 2436.33, 0.00297488/step, 3.45268 hours remaining, 207.867188 MB of memory in use. ENERGY: 821800 722.1246 2163.2325 1965.8376 115.5042 -206358.9278 17832.8494 0.0000 0.0000 34311.5884 -149247.7911 299.6516 -183559.3796 -149148.3107 299.1576 -3.5759 24.0521 557766.1825 -4.6055 -4.6591 PRESSURE: 822000 -106.962 -93.8125 -10.0727 -93.8132 60.9419 -121.445 -10.0726 -121.444 64.2212 GPRESSURE: 822000 -49.7095 -137.316 14.6427 -0.732244 39.2671 -38.0827 8.60041 -134.501 129.143 PRESSAVG: 822000 21.2934 -45.4674 41.1142 -45.4674 -29.8395 27.3616 41.1142 27.3617 65.7994 GPRESSAVG: 822000 23.0894 -43.7895 42.4569 -46.1446 -30.8412 27.4039 41.4628 28.9586 65.4019 TIMING: 822000 CPU: 2436.92, 0.00294707/step Wall: 2436.92, 0.00294707/step, 3.42023 hours remaining, 207.867188 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: 822000 739.5280 2054.7711 1976.2983 112.9328 -206556.6625 17923.4805 0.0000 0.0000 34374.8059 -149374.8458 300.2037 -183749.6517 -149272.6327 299.3456 6.0671 39.5670 556884.7326 19.0844 19.2167 PRESSURE: 822200 66.4796 24.1976 34.6953 24.197 8.14065 -67.9695 34.697 -67.971 -164.941 GPRESSURE: 822200 27.5304 43.7186 -34.4722 89.9447 92.0565 -61.8486 66.3972 -69.7149 -119.579 PRESSAVG: 822200 -9.16514 27.7306 -15.3756 27.7306 -27.839 -41.7166 -15.3756 -41.7166 26.8666 GPRESSAVG: 822200 -9.41907 27.6138 -17.5879 26.8565 -27.259 -40.9505 -13.4585 -43.1066 26.8181 TIMING: 822200 CPU: 2437.51, 0.00296581/step Wall: 2437.51, 0.00296581/step, 3.44182 hours remaining, 207.867188 MB of memory in use. ENERGY: 822200 698.2346 2028.1181 1950.3247 118.5795 -206337.5540 17734.6168 0.0000 0.0000 34469.7114 -149337.9687 301.0326 -183807.6801 -149237.3221 298.7780 -30.1068 0.0026 557126.2098 -3.3792 -3.2867 PRESSURE: 822400 151.999 -89.6057 109.373 -89.6048 204.28 -8.9034 109.373 -8.90418 146.27 GPRESSURE: 822400 159.395 -64.1818 54.0808 -54.3926 267.455 35.1182 -26.5003 -50.7719 169.701 PRESSAVG: 822400 8.23229 -6.93817 5.619 -6.93813 0.00495366 2.45902 5.61896 2.45911 -17.139 GPRESSAVG: 822400 7.50198 -7.27972 6.70044 -7.32456 0.0540979 3.4548 2.15059 2.111 -16.9508 TIMING: 822400 CPU: 2438.11, 0.00297262/step Wall: 2438.11, 0.00297262/step, 3.44957 hours remaining, 207.867188 MB of memory in use. ENERGY: 822400 723.8563 2056.4865 1948.5081 119.7640 -206475.4715 18027.0881 0.0000 0.0000 34143.3122 -149456.4564 298.1820 -183599.7686 -149355.5313 298.4973 167.5163 198.8505 555894.7575 -2.9672 -3.1316 PRESSURE: 822600 94.4723 114.089 -139.028 114.088 59.2719 40.6764 -139.028 40.676 -18.7116 GPRESSURE: 822600 120.333 9.99453 -65.1665 97.7099 103.606 51.5366 -140.296 142.883 12.2504 PRESSAVG: 822600 47.574 -16.0403 58.7268 -16.0403 -47.0494 3.02598 58.7267 3.02592 11.2718 GPRESSAVG: 822600 47.9035 -16.1994 58.8464 -16.8072 -47.7361 1.43626 60.8108 2.50941 11.9817 TIMING: 822600 CPU: 2438.7, 0.00293703/step Wall: 2438.7, 0.00293703/step, 3.4081 hours remaining, 207.867188 MB of memory in use. ENERGY: 822600 757.0705 2027.4776 1957.5216 115.1054 -206747.3426 18063.9701 0.0000 0.0000 34090.1725 -149736.0249 297.7180 -183826.1974 -149638.6607 298.0979 45.0108 78.7299 556359.1063 3.9322 4.0497 PRESSURE: 822800 -139.963 -82.0757 -127.927 -82.0748 -11.3128 172.605 -127.926 172.607 -144.974 GPRESSURE: 822800 -91.2556 12.1236 -167.104 -123.711 1.37973 147.745 -89.8117 171.168 -112.782 PRESSAVG: 822800 37.2801 24.641 -61.2822 24.6411 -14.7499 -32.1906 -61.2822 -32.1907 -39.7959 GPRESSAVG: 822800 37.2317 26.9943 -61.1218 23.3429 -14.0014 -30.996 -62.2584 -29.3727 -40.641 TIMING: 822800 CPU: 2439.28, 0.00293439/step Wall: 2439.28, 0.00293439/step, 3.40487 hours remaining, 207.867188 MB of memory in use. ENERGY: 822800 777.3480 2103.4464 1948.1522 105.4026 -206621.1118 17924.6029 0.0000 0.0000 34089.7894 -149672.3702 297.7146 -183762.1596 -149576.3095 298.1280 -98.7498 -67.5527 558347.1940 -5.7552 -5.8035 PRESSURE: 823000 134.39 -212.709 45.6795 -212.709 -8.26326 79.2385 45.679 79.24 145.259 GPRESSURE: 823000 183.139 -247.094 32.5588 -139.687 -7.51976 80.4456 38.3614 61.5149 201.104 PRESSAVG: 823000 28.6452 -10.4858 -14.2633 -10.4857 -16.3402 -129.131 -14.2633 -129.131 -30.1711 GPRESSAVG: 823000 28.7455 -12.7051 -14.4359 -8.39949 -16.2266 -132.067 -13.3628 -131.696 -29.4578 TIMING: 823000 CPU: 2439.87, 0.00293657/step Wall: 2439.87, 0.00293657/step, 3.40724 hours remaining, 207.867188 MB of memory in use. ENERGY: 823000 728.1104 2099.5277 1967.8829 128.8568 -206573.2110 18050.8143 0.0000 0.0000 33965.4767 -149632.5422 296.6290 -183598.0189 -149534.3511 297.4723 90.4620 125.5743 557154.1176 -5.9554 -5.6463 PRESSURE: 823200 -106.889 -34.2785 199.856 -34.2783 -157.668 86.558 199.858 86.5556 -228.829 GPRESSURE: 823200 -15.2162 -90.3747 180.09 33.2034 -112.935 107.461 184.49 51.438 -259.892 PRESSAVG: 823200 42.9649 7.61078 -46.465 7.61084 2.43525 11.8219 -46.465 11.8219 -57.2307 GPRESSAVG: 823200 43.197 6.62171 -44.6334 7.81077 2.53553 15.2698 -48.1433 11.8124 -57.5636 TIMING: 823200 CPU: 2440.46, 0.00296336/step Wall: 2440.46, 0.00296336/step, 3.43816 hours remaining, 207.867188 MB of memory in use. ENERGY: 823200 776.2580 2094.8758 1971.8385 121.3162 -206380.3875 17710.4953 0.0000 0.0000 33998.1886 -149707.4151 296.9146 -183705.6037 -149613.4340 297.9453 -164.4621 -129.3476 557130.7595 -3.9435 -3.9437 PRESSURE: 823400 4.74151 -16.7102 -91.554 -16.7108 -6.90186 -13.8328 -91.556 -13.8341 -70.9135 GPRESSURE: 823400 141.052 -28.6301 -46.6143 27.0904 -26.0446 -49.1801 -79.0021 25.8054 -98.4701 PRESSAVG: 823400 3.38963 -11.1557 15.927 -11.1558 -13.2776 17.876 15.927 17.8761 18.5611 GPRESSAVG: 823400 3.74773 -9.40369 15.357 -10.3503 -13.1111 14.5192 17.7368 18.4882 17.4567 TIMING: 823400 CPU: 2441.05, 0.00294264/step Wall: 2441.05, 0.00294264/step, 3.41395 hours remaining, 207.867188 MB of memory in use. ENERGY: 823400 750.9568 2064.0010 1942.1350 115.3008 -206901.6364 18134.4868 0.0000 0.0000 34411.9744 -149482.7816 300.5283 -183894.7560 -149375.4269 298.1384 -24.3579 5.5125 557437.3952 2.8910 2.6978 PRESSURE: 823600 126.321 79.4538 -5.62992 79.4546 2.31254 -58.7149 -5.62926 -58.7146 2.21148 GPRESSURE: 823600 217.863 23.6589 35.7419 72.1264 -10.9695 -41.3921 52.392 -22.8425 23.1385 PRESSAVG: 823600 -73.1898 2.18326 22.4884 2.18326 -1.22758 -33.4035 22.4885 -33.4035 23.0484 GPRESSAVG: 823600 -73.6627 0.719065 22.3987 0.599472 -0.903248 -33.5202 21.5112 -32.9799 23.2797 TIMING: 823600 CPU: 2441.64, 0.00294994/step Wall: 2441.64, 0.00294994/step, 3.42225 hours remaining, 207.867188 MB of memory in use. ENERGY: 823600 726.4633 2190.3739 1927.4988 120.5872 -206566.9135 17947.7225 0.0000 0.0000 34185.7036 -149468.5642 298.5523 -183654.2677 -149377.2605 298.3283 43.6151 76.6772 557534.6474 -17.1230 -17.0954 PRESSURE: 823800 -172.418 233.965 -12.9437 233.964 -281.996 75.7806 -12.9437 75.781 63.1331 GPRESSURE: 823800 -173.053 233.454 60.4236 198.664 -201.787 11.6075 -35.9208 126.881 87.6193 PRESSAVG: 823800 4.05498 1.01301 24.6858 1.01306 1.65364 -4.04163 24.6857 -4.04155 34.9329 GPRESSAVG: 823800 4.00579 2.60844 23.892 1.20753 0.762132 -2.08489 24.3512 -4.44287 36.7624 TIMING: 823800 CPU: 2442.23, 0.00295364/step Wall: 2442.23, 0.00295364/step, 3.42639 hours remaining, 207.867188 MB of memory in use. ENERGY: 823800 777.2763 2120.8687 1981.0295 98.9268 -206465.8624 17906.7457 0.0000 0.0000 33980.6608 -149600.3546 296.7616 -183581.0154 -149508.2040 297.8937 -130.4268 -95.7402 558590.6509 13.5472 13.8434 PRESSURE: 824000 34.7987 -114.377 -33.1227 -114.378 25.523 -84.2613 -33.1233 -84.2594 146.534 GPRESSURE: 824000 98.7841 -181.651 -105.645 -112.036 33.6218 -57.5927 -12.7408 -28.4885 167.876 PRESSAVG: 824000 -47.7934 -15.3985 -30.2423 -15.3984 6.11304 -10.7266 -30.2423 -10.7266 2.7788 GPRESSAVG: 824000 -47.2431 -16.3992 -30.7861 -15.1749 6.23147 -11.4381 -29.5258 -10.3811 1.61026 TIMING: 824000 CPU: 2442.82, 0.00295936/step Wall: 2442.82, 0.00295936/step, 3.43286 hours remaining, 207.867188 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: 824000 745.1211 2076.4857 1972.2732 108.6797 -206651.2877 17966.0324 0.0000 0.0000 34244.3174 -149538.3781 299.0641 -183782.6956 -149434.0185 297.7998 68.9520 100.0939 557725.6935 -12.9672 -13.1338 PRESSURE: 824200 -229.214 -37.1269 173.354 -37.1269 263.57 -85.8187 173.355 -85.8195 -132.332 GPRESSURE: 824200 -181.264 1.30597 165.962 -45.3741 285.2 -127.7 201.642 -37.1128 -111.444 PRESSAVG: 824200 -65.4946 -20.8429 21.1667 -20.8429 42.4468 18.8926 21.1667 18.8926 -7.85269 GPRESSAVG: 824200 -65.961 -21.2781 22.2232 -20.9624 43.7696 19.5453 21.8197 19.7074 -8.16236 TIMING: 824200 CPU: 2443.41, 0.00295239/step Wall: 2443.41, 0.00295238/step, 3.4246 hours remaining, 207.867188 MB of memory in use. ENERGY: 824200 762.3697 2084.5009 1961.6898 104.1753 -206562.2902 17918.1749 0.0000 0.0000 34201.4606 -149529.9190 298.6899 -183731.3796 -149429.1061 298.1242 -32.6585 -2.5026 557515.7031 -10.3002 -10.1179 LDB: ============= START OF LOAD BALANCING ============== 2446.84 LDB: ============== END OF LOAD BALANCING =============== 2446.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2446.84 LDB: ============= START OF LOAD BALANCING ============== 2447.14 LDB: Largest compute 4820 load 0.031889 is 27.1% of average load 0.117887 LDB: Average compute 0.001730 is 1.5% of average load 0.117887 LDB: TIME 2447.14 LOAD: AVG 0.117887 MAX 0.196948 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.594 MB LDB: TIME 2447.14 LOAD: AVG 0.117887 MAX 0.196948 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.801 MB LDB: TIME 2447.14 LOAD: AVG 0.117887 MAX 0.196948 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2447.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2447.15 PRESSURE: 824400 -251.709 67.7329 49.2013 67.7326 105.866 134.015 49.2017 134.016 -408.785 GPRESSURE: 824400 -186.646 67.9436 63.1824 42.4718 110.055 123.901 100.035 141.794 -380.916 PRESSAVG: 824400 25.918 17.5596 22.5965 17.5596 67.4851 55.548 22.5965 55.548 -58.5991 GPRESSAVG: 824400 25.5861 17.9577 24.1437 18.1724 67.4486 54.7048 19.8684 55.436 -57.6964 TIMING: 824400 CPU: 2444.02, 0.0030112/step Wall: 2444.02, 0.0030112/step, 3.49266 hours remaining, 205.789062 MB of memory in use. ENERGY: 824400 729.0561 2143.2711 1952.6779 97.3916 -206154.3496 17635.6486 0.0000 0.0000 34143.2597 -149453.0447 298.1816 -183596.3044 -149366.0864 298.5208 -184.8763 -152.5024 557680.8574 11.6013 11.7794 PRESSURE: 824600 -169.914 82.8398 98.4235 82.8399 149.204 -16.8687 98.4238 -16.8692 -74.7229 GPRESSURE: 824600 -174.974 26.262 144.383 -28.6429 191.309 -29.8525 136.783 -40.826 -10.2794 PRESSAVG: 824600 3.85665 46.694 38.8685 46.694 16.2126 7.35271 38.8685 7.35272 10.1311 GPRESSAVG: 824600 3.79265 45.3709 38.1898 48.4357 16.4661 6.5397 42.8522 6.3726 9.83499 TIMING: 824600 CPU: 2444.61, 0.00295897/step Wall: 2444.61, 0.00295897/step, 3.43191 hours remaining, 205.789062 MB of memory in use. ENERGY: 824600 745.9664 2088.4217 1923.9459 108.0841 -206083.7300 17720.4778 0.0000 0.0000 34231.6863 -149265.1476 298.9538 -183496.8340 -149173.4323 298.8692 -31.8112 2.0184 557536.8032 10.0668 10.0312 PRESSURE: 824800 -285.397 107.855 -98.2128 107.856 -219.848 14.9693 -98.2128 14.9688 212.163 GPRESSURE: 824800 -196.997 115.057 -66.205 158.047 -203.075 9.37196 -62.7976 13.8518 210.184 PRESSAVG: 824800 -21.8385 19.3528 -11.1329 19.3528 15.8122 12.0744 -11.1329 12.0745 -0.680624 GPRESSAVG: 824800 -21.1829 22.8774 -11.9991 15.483 16.2185 14.5028 -12.5136 11.1817 -1.84102 TIMING: 824800 CPU: 2445.2, 0.00295558/step Wall: 2445.2, 0.00295558/step, 3.42781 hours remaining, 205.789062 MB of memory in use. ENERGY: 824800 736.0217 2066.2544 1947.0073 102.2571 -206186.1409 17670.2451 0.0000 0.0000 34291.2925 -149373.0627 299.4744 -183664.3552 -149280.1338 298.4482 -97.6940 -63.2959 557356.1121 -2.2356 -2.2685 PRESSURE: 825000 239.863 -64.5066 -293.268 -64.5076 161.838 -32.0592 -293.268 -32.0578 -16.9914 GPRESSURE: 825000 274.959 -149.561 -321.69 -34.9624 170.305 -44.3409 -208.307 4.18659 46.3126 PRESSAVG: 825000 -5.96761 35.2686 -26.0038 35.2687 -6.47815 -18.276 -26.0037 -18.2761 28.7437 GPRESSAVG: 825000 -5.76424 34.6254 -23.5827 37.9012 -6.28776 -19.6269 -25.0715 -16.5671 28.8626 TIMING: 825000 CPU: 2445.79, 0.00294676/step Wall: 2445.79, 0.00294676/step, 3.41742 hours remaining, 205.789062 MB of memory in use. ENERGY: 825000 741.1512 2164.1453 1958.1967 105.4641 -206518.3427 18018.6078 0.0000 0.0000 34311.3840 -149219.3936 299.6499 -183530.7776 -149115.7526 299.5777 128.2365 163.8589 556774.0019 5.4326 5.6035 PRESSURE: 825200 76.0965 12.9231 206.134 12.9226 61.9569 -14.7858 206.135 -14.7872 -309.768 GPRESSURE: 825200 74.7531 -12.9476 263.066 77.0021 153.821 11.4592 218.862 53.1566 -299.998 PRESSAVG: 825200 46.5441 35.8006 -3.17065 35.8007 17.5459 -12.6506 -3.1707 -12.6507 -15.4188 GPRESSAVG: 825200 46.2856 34.7983 -4.26174 35.867 16.8615 -12.6613 -4.95573 -15.44 -14.5598 TIMING: 825200 CPU: 2446.38, 0.00296165/step Wall: 2446.38, 0.00296165/step, 3.43453 hours remaining, 205.789062 MB of memory in use. ENERGY: 825200 729.2268 2209.9289 1975.7643 124.7958 -206426.2304 17822.1204 0.0000 0.0000 34184.3913 -149380.0028 298.5408 -183564.3941 -149281.1651 299.0915 -57.2381 -23.8081 558087.0066 16.2237 16.1958 PRESSURE: 825400 -220.049 79.8886 72.329 79.8888 219.341 -61.111 72.3296 -61.111 144.191 GPRESSURE: 825400 -161.155 53.1768 163.256 31.8239 246.581 -44.3225 132.552 -4.76853 146.167 PRESSAVG: 825400 -19.0311 62.7516 -5.15778 62.7516 103.228 -46.9225 -5.15774 -46.9226 -56.4805 GPRESSAVG: 825400 -19.1146 62.8246 -5.99527 61.3205 103.648 -45.026 -5.96064 -45.8716 -56.8847 TIMING: 825400 CPU: 2446.98, 0.00296931/step Wall: 2446.98, 0.00296931/step, 3.44324 hours remaining, 205.789062 MB of memory in use. ENERGY: 825400 756.9846 2083.9830 1935.2376 107.1712 -206252.2742 17904.4650 0.0000 0.0000 34052.5872 -149411.8457 297.3897 -183464.4329 -149309.5065 297.8260 47.8279 77.1979 557948.6096 9.2389 9.2164 PRESSURE: 825600 94.7674 -198.053 89.7407 -198.053 -80.854 20.0771 89.7415 20.0758 -205.288 GPRESSURE: 825600 75.5562 -158.726 113.834 -196.481 -35.6519 56.8668 125.834 -93.8863 -145.32 PRESSAVG: 825600 -66.3369 10.9602 4.90969 10.9602 35.8259 44.5716 4.90969 44.5717 48.187 GPRESSAVG: 825600 -65.7082 11.5182 6.20488 13.0236 34.5359 42.2289 4.49973 45.5829 48.4926 TIMING: 825600 CPU: 2447.57, 0.0029636/step Wall: 2447.57, 0.0029636/step, 3.43646 hours remaining, 205.789062 MB of memory in use. ENERGY: 825600 728.0961 2119.5446 1957.7612 110.5114 -206089.4827 17793.0033 0.0000 0.0000 34071.0181 -149309.5480 297.5507 -183380.5661 -149216.9344 298.6618 -63.7915 -35.1387 557821.1204 5.8920 5.7734 PRESSURE: 825800 109.152 91.1457 0.595434 91.1472 -335.818 -49.1012 0.595494 -49.0994 -281.083 GPRESSURE: 825800 133.539 152.209 -124.487 71.9331 -300.597 -46.5921 -29.4624 -62.9189 -246.598 PRESSAVG: 825800 0.715408 0.815221 -2.35379 0.815209 -28.9713 2.51377 -2.35384 2.51375 -31.8395 GPRESSAVG: 825800 1.9534 2.70836 -2.98006 -1.14435 -27.5768 3.05313 -2.71395 1.43872 -33.6335 TIMING: 825800 CPU: 2448.16, 0.00298045/step Wall: 2448.16, 0.00298045/step, 3.45583 hours remaining, 205.789062 MB of memory in use. ENERGY: 825800 809.9663 2098.6614 1973.0173 116.5134 -206302.7983 17738.1432 0.0000 0.0000 34337.5324 -149228.9644 299.8782 -183566.4968 -149139.3650 298.8298 -169.2494 -137.8853 558187.8386 -20.0318 -19.7523 PRESSURE: 826000 -165.159 153.968 113.567 153.967 -265.862 99.6653 113.566 99.6647 -405.919 GPRESSURE: 826000 -116.192 48.6999 105.5 189.052 -227.126 115.344 131.689 34.138 -389.328 PRESSAVG: 826000 9.19533 28.0359 12.0278 28.0359 -6.89188 -15.4577 12.0277 -15.4577 -10.1612 GPRESSAVG: 826000 7.4819 26.6668 11.7017 27.5585 -7.2932 -14.6681 13.6927 -15.0675 -8.33299 TIMING: 826000 CPU: 2448.76, 0.00295436/step Wall: 2448.76, 0.00295436/step, 3.42542 hours remaining, 205.789062 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: 826000 757.5462 2103.3084 1962.8023 109.7615 -205840.8001 17417.0911 0.0000 0.0000 34269.3385 -149220.9521 299.2827 -183490.2906 -149118.8810 298.5988 -278.9799 -244.2154 558359.4348 -2.6192 -2.7148 PRESSURE: 826200 -229.889 -141.713 -94.4509 -141.713 -48.3641 86.1299 -94.4503 86.1311 113.638 GPRESSURE: 826200 -202.666 -157.441 -99.8554 -81.915 -53.5445 128.891 -6.74077 -7.57073 174.016 PRESSAVG: 826200 17.2088 -13.9811 3.05454 -13.981 -18.6008 -15.728 3.05455 -15.728 -35.237 GPRESSAVG: 826200 17.2091 -15.557 3.29387 -11.6726 -18.4788 -15.0739 3.45605 -18.1679 -35.4295 TIMING: 826200 CPU: 2449.34, 0.00293897/step Wall: 2449.34, 0.00293897/step, 3.40741 hours remaining, 205.789062 MB of memory in use. ENERGY: 826200 752.7940 2063.1462 1953.4446 114.7152 -205990.3395 17600.1188 0.0000 0.0000 34299.0265 -149207.0942 299.5419 -183506.1207 -149109.6858 299.5389 -54.8715 -27.3980 555884.5979 -12.2097 -12.2331 PRESSURE: 826400 -102.244 14.0606 -36.3999 14.0597 -95.9041 -17.4441 -36.3999 -17.4437 53.822 GPRESSURE: 826400 -116.866 9.13367 71.6221 -1.46086 -43.5484 -11.1241 -149.364 16.5057 101.485 PRESSAVG: 826400 10.8623 -42.6066 5.2464 -42.6066 -37.5594 -25.6529 5.24639 -25.653 26.0232 GPRESSAVG: 826400 11.3905 -41.7471 4.75075 -42.6575 -37.5218 -26.9603 2.29596 -22.4902 25.112 TIMING: 826400 CPU: 2449.93, 0.0029407/step Wall: 2449.93, 0.0029407/step, 3.40925 hours remaining, 205.789062 MB of memory in use. ENERGY: 826400 760.9234 2136.0539 1963.6445 114.4694 -205969.1696 17716.2952 0.0000 0.0000 34229.7626 -149048.0206 298.9370 -183277.7832 -148956.5995 299.6189 -48.1087 -19.6431 557268.8636 -0.2246 -0.3397 PRESSURE: 826600 -156.386 84.7582 29.7775 84.7582 -118.011 137.822 29.7789 137.823 -291.373 GPRESSURE: 826600 -190.525 115.086 35.8841 47.0737 -86.9206 50.8442 19.3246 228.938 -204.885 PRESSAVG: 826600 14.4833 -3.94544 -20.2759 -3.94542 45.6131 10.1165 -20.2759 10.1164 -31.3542 GPRESSAVG: 826600 13.1629 -4.45889 -18.8606 -6.12318 45.6559 10.1411 -20.3704 8.8752 -30.134 TIMING: 826600 CPU: 2450.52, 0.00295915/step Wall: 2450.52, 0.00295915/step, 3.43048 hours remaining, 205.789062 MB of memory in use. ENERGY: 826600 759.3328 2057.9992 1961.4972 100.4932 -205899.6697 17481.2974 0.0000 0.0000 34185.5429 -149353.5070 298.5508 -183539.0499 -149259.9449 298.8997 -188.5900 -160.7768 557603.3771 9.5807 9.5616 PRESSURE: 826800 36.5196 -117.286 -4.75561 -117.286 -301.079 48.1586 -4.75792 48.1586 25.1455 GPRESSURE: 826800 49.9563 -155.56 -2.23755 -86.3807 -202.563 46.5879 1.33066 99.7143 7.80338 PRESSAVG: 826800 2.066 -58.7754 22.3062 -58.7753 9.18868 3.27554 22.3062 3.27561 -22.7035 GPRESSAVG: 826800 2.33768 -58.8226 20.9968 -58.3835 8.68552 1.02785 22.6776 5.09154 -22.2237 TIMING: 826800 CPU: 2451.12, 0.00297212/step Wall: 2451.12, 0.00297212/step, 3.44535 hours remaining, 205.789062 MB of memory in use. ENERGY: 826800 766.7775 2082.0275 1953.3733 106.4970 -206188.5253 17747.4355 0.0000 0.0000 34183.5796 -149348.8350 298.5337 -183532.4145 -149247.5754 298.5147 -79.8046 -48.2678 558112.8392 -3.8163 -3.7335 PRESSURE: 827000 -34.0693 -156.499 -23.2881 -156.499 -197.433 -156.467 -23.2884 -156.467 -60.9754 GPRESSURE: 827000 96.0042 -112.73 -53.2487 -154.198 -235.849 -217.934 -11.0648 -114.125 -36.3558 PRESSAVG: 827000 28.2079 -3.1805 26.8185 -3.18055 -13.1128 -6.7522 26.8186 -6.75223 16.8091 GPRESSAVG: 827000 29.9364 -2.22428 27.1602 -2.24576 -13.9211 -5.30801 27.4238 -7.76462 15.1863 TIMING: 827000 CPU: 2451.71, 0.00297546/step Wall: 2451.71, 0.00297546/step, 3.44905 hours remaining, 205.789062 MB of memory in use. ENERGY: 827000 761.3862 2115.3576 1944.8570 115.8329 -205949.0840 17595.9232 0.0000 0.0000 34124.0443 -149291.6828 298.0138 -183415.7271 -149197.6489 298.9199 -97.4925 -58.7337 557313.5215 10.6347 10.4005 PRESSURE: 827200 17.7555 -18.036 20.3201 -18.0357 90.6036 31.1837 20.3196 31.1828 -152.012 GPRESSURE: 827200 70.5765 -50.4033 48.5049 -20.2374 141.781 -23.5505 70.1893 101.741 -158.457 PRESSAVG: 827200 47.7785 -3.60915 -47.1262 -3.60918 -23.0457 18.6957 -47.1262 18.6956 21.1355 GPRESSAVG: 827200 47.7102 -2.52577 -50.178 -4.47515 -22.6123 19.7175 -45.7721 19.3065 21.2435 TIMING: 827200 CPU: 2452.3, 0.00295855/step Wall: 2452.3, 0.00295855/step, 3.42929 hours remaining, 205.789062 MB of memory in use. ENERGY: 827200 757.6068 2072.9987 1943.8375 110.4744 -206434.4780 17867.9827 0.0000 0.0000 34403.4623 -149278.1156 300.4540 -183681.5779 -149182.0921 298.8869 -14.5509 17.9668 556887.4076 15.2894 15.4471 PRESSURE: 827400 145.926 -37.0102 49.3721 -37.0101 -88.9147 -76.9292 49.3724 -76.9292 -119.237 GPRESSURE: 827400 109.428 -33.8842 28.6437 24.498 -54.6531 -73.1558 48.4266 -98.458 -24.2962 PRESSAVG: 827400 -67.7937 28.1416 4.2125 28.1416 20.2341 12.4015 4.21259 12.4016 34.8134 GPRESSAVG: 827400 -68.7353 29.0567 7.47919 27.5522 19.9306 12.4937 2.93036 14.1156 35.6826 TIMING: 827400 CPU: 2452.9, 0.00298522/step Wall: 2452.9, 0.00298522/step, 3.46004 hours remaining, 205.789062 MB of memory in use. ENERGY: 827400 768.0485 2066.3070 1975.1543 118.3912 -206497.5613 17865.0008 0.0000 0.0000 34382.3323 -149322.3270 300.2695 -183704.6594 -149221.3871 299.1266 -20.7419 10.1595 556739.5439 -4.2487 -4.3741 PRESSURE: 827600 -187.154 138.459 29.9101 138.459 203.899 -103.422 29.9115 -103.422 230.401 GPRESSURE: 827600 -79.1161 146.731 60.931 91.9512 211.824 -131.917 72.6287 -5.76873 218.015 PRESSAVG: 827600 23.3321 -26.7557 -5.63347 -26.7557 26.654 10.5243 -5.63356 10.5241 -18.4849 GPRESSAVG: 827600 22.8026 -30.3787 -5.06575 -25.2493 28.0965 9.93879 -6.08516 9.21071 -19.6958 TIMING: 827600 CPU: 2453.49, 0.00296167/step Wall: 2453.49, 0.00296167/step, 3.43258 hours remaining, 205.789062 MB of memory in use. ENERGY: 827600 763.3957 2074.2617 1948.5990 121.6403 -206009.7211 17776.7188 0.0000 0.0000 34057.3712 -149267.7344 297.4315 -183325.1056 -149175.4633 299.6465 82.3818 116.9077 556457.8620 10.5004 10.4011 PRESSURE: 827800 -378.305 -188.732 -41.4258 -188.734 -150.711 203.087 -41.4256 203.086 -64.4277 GPRESSURE: 827800 -340.717 -234.142 18.0757 -119.483 -106.409 266.218 -80.3292 174.851 -41.8309 PRESSAVG: 827800 -8.78547 -13.2 -0.076569 -13.2001 9.66752 1.65692 -0.0765051 1.65696 5.47107 GPRESSAVG: 827800 -8.51784 -11.3216 -0.324443 -14.2491 9.73124 0.729075 0.6303 1.59076 4.84855 TIMING: 827800 CPU: 2454.08, 0.00295623/step Wall: 2454.08, 0.00295623/step, 3.42611 hours remaining, 205.789062 MB of memory in use. ENERGY: 827800 786.7393 2062.1879 1927.5063 127.9710 -205610.6419 17476.2201 0.0000 0.0000 34066.4292 -149163.5881 297.5106 -183230.0173 -149062.7605 299.1613 -197.8146 -162.9858 556638.7453 2.1177 2.0206 PRESSURE: 828000 159.39 -137.888 -184.122 -137.888 99.0658 59.4998 -184.121 59.5001 -6.27358 GPRESSURE: 828000 194.551 -94.2786 -261.282 -212.694 127.906 51.4006 -115.365 47.9135 22.7943 PRESSAVG: 828000 -20.6704 -15.7186 -9.89266 -15.7187 41.1251 -18.786 -9.89269 -18.786 -8.23508 GPRESSAVG: 828000 -20.9833 -15.4339 -11.3627 -15.3042 40.2047 -17.9995 -9.18063 -17.4945 -6.50322 TIMING: 828000 CPU: 2454.67, 0.00293727/step Wall: 2454.67, 0.00293727/step, 3.40397 hours remaining, 205.789062 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: 828000 767.1573 2130.5179 1959.1744 114.4223 -206406.8869 17897.0184 0.0000 0.0000 34429.5927 -149109.0041 300.6822 -183538.5967 -149001.3732 299.4199 84.0609 115.0839 555820.3213 4.0732 4.2394 PRESSURE: 828200 237.117 60.2881 29.5446 60.2882 193.629 -12.3718 29.5439 -12.3696 28.9062 GPRESSURE: 828200 281.136 77.1223 -18.5768 141.396 193.263 61.6349 51.4769 -77.9035 84.9657 PRESSAVG: 828200 -13.9143 41.0589 -32.8559 41.0589 57.6582 -0.272631 -32.8559 -0.272503 -66.2267 GPRESSAVG: 828200 -13.8091 41.818 -30.5131 38.598 57.6324 2.4728 -35.9282 -2.49884 -65.96 TIMING: 828200 CPU: 2455.26, 0.00294744/step Wall: 2455.26, 0.00294744/step, 3.41559 hours remaining, 205.789062 MB of memory in use. ENERGY: 828200 761.5750 2102.9615 1944.9169 119.0625 -206128.0835 17978.1431 0.0000 0.0000 34506.3030 -148715.1214 301.3521 -183221.4244 -148622.4537 300.9175 153.2175 186.4548 555758.8092 -7.4943 -7.3789 LDB: ============= START OF LOAD BALANCING ============== 2458.69 LDB: ============== END OF LOAD BALANCING =============== 2458.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2458.69 LDB: ============= START OF LOAD BALANCING ============== 2458.99 LDB: Largest compute 4820 load 0.032488 is 27.6% of average load 0.117773 LDB: Average compute 0.001740 is 1.5% of average load 0.117773 LDB: TIME 2458.99 LOAD: AVG 0.117773 MAX 0.19544 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.285 MB LDB: TIME 2458.99 LOAD: AVG 0.117773 MAX 0.19544 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.285 MB LDB: TIME 2458.99 LOAD: AVG 0.117773 MAX 0.19544 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2458.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2459 PRESSURE: 828400 -268.166 109.772 -66.9967 109.774 -19.7524 -126.37 -66.9978 -126.369 -84.1362 GPRESSURE: 828400 -236.746 107.37 -77.4724 111.795 -41.4393 7.17448 -135.383 -122.668 -5.50229 PRESSAVG: 828400 6.16916 17.1587 -29.0451 17.1587 4.33605 4.36196 -29.0451 4.36187 44.4284 GPRESSAVG: 828400 5.47432 17.2193 -29.5862 20.0055 6.07185 1.32748 -29.2644 6.89185 43.8462 TIMING: 828400 CPU: 2455.87, 0.003022/step Wall: 2455.87, 0.003022/step, 3.50182 hours remaining, 207.339844 MB of memory in use. ENERGY: 828400 785.1650 2086.2731 1968.4021 120.3495 -205411.4343 17259.2431 0.0000 0.0000 34355.4470 -148836.5546 300.0347 -183192.0016 -148738.3704 300.2853 -124.0182 -94.5624 554586.2096 18.3112 18.4641 PRESSURE: 828600 9.27206 30.8901 -81.35 30.8897 -125.433 37.0659 -81.3507 37.0651 -172.635 GPRESSURE: 828600 68.0234 -36.4176 -70.6709 63.3852 -104.663 36.9334 -41.5696 -32.4089 -160.146 PRESSAVG: 828600 -4.41702 66.7023 32.6805 66.7022 -17.1679 -29.3416 32.6805 -29.3415 35.0724 GPRESSAVG: 828600 -2.06505 66.2419 31.1088 65.6535 -20.2688 -27.2839 33.6859 -31.4951 34.8731 TIMING: 828600 CPU: 2456.46, 0.00297876/step Wall: 2456.46, 0.00297876/step, 3.45156 hours remaining, 207.339844 MB of memory in use. ENERGY: 828600 722.1487 2131.8284 1946.6307 117.4966 -205459.4012 17529.1730 0.0000 0.0000 34307.5668 -148704.5570 299.6165 -183012.1238 -148612.0747 300.5018 -96.2655 -65.5951 557619.2903 4.4958 4.1798 PRESSURE: 828800 -124.061 25.9604 -37.3023 25.9613 73.6213 -2.44984 -37.3011 -2.44828 38.0165 GPRESSURE: 828800 -90.0158 26.8247 -50.7936 62.3253 79.0802 3.39421 -58.1259 93.9399 115.918 PRESSAVG: 828800 -32.3577 11.734 -43.7043 11.734 -45.7502 -1.78199 -43.7044 -1.7819 79.6421 GPRESSAVG: 828800 -34.328 13.5836 -43.7525 11.577 -44.2485 -3.57661 -43.0579 0.441702 80.0622 TIMING: 828800 CPU: 2457.06, 0.00297977/step Wall: 2457.06, 0.00297977/step, 3.45256 hours remaining, 207.339844 MB of memory in use. ENERGY: 828800 734.5708 2112.4357 1954.1680 109.8346 -205809.0731 17810.4164 0.0000 0.0000 34371.4958 -148716.1517 300.1748 -183087.6475 -148608.7157 301.1219 -4.1410 34.9941 557501.5441 0.5114 0.4952 PRESSURE: 829000 -298.033 -15.3276 50.8675 -15.3276 -17.142 43.8914 50.8663 43.8901 103.947 GPRESSURE: 829000 -255.861 57.5672 88.243 -82.7874 -29.1546 -7.59272 16.2227 72.7585 174.811 PRESSAVG: 829000 -55.1195 77.6635 19.1114 77.6634 -28.5995 -18.3786 19.1113 -18.3787 60.5868 GPRESSAVG: 829000 -54.4621 75.3459 20.4999 75.769 -29.0699 -16.8191 20.0927 -20.9731 59.9405 TIMING: 829000 CPU: 2457.65, 0.00298039/step Wall: 2457.65, 0.00298038/step, 3.45311 hours remaining, 207.339844 MB of memory in use. ENERGY: 829000 722.8983 2125.9703 1945.6182 107.8362 -205427.1200 17569.4348 0.0000 0.0000 34377.5844 -148577.7780 300.2280 -182955.3623 -148480.6726 300.8847 -70.4094 -36.7349 558337.3106 -7.7107 -7.8638 PRESSURE: 829200 -13.2312 46.4765 219.922 46.4757 -36.1481 -21.5766 219.922 -21.5772 -199.071 GPRESSURE: 829200 -16.413 54.0509 125.854 -36.9577 36.2521 1.76112 204.776 -100.876 -166.939 PRESSAVG: 829200 -9.03542 -19.3309 22.5814 -19.331 44.0233 -47.5072 22.5814 -47.5073 -23.4828 GPRESSAVG: 829200 -9.01384 -19.3226 23.242 -16.2457 45.1467 -50.2215 20.3738 -46.141 -24.762 TIMING: 829200 CPU: 2458.25, 0.00296931/step Wall: 2458.25, 0.00296931/step, 3.44012 hours remaining, 207.339844 MB of memory in use. ENERGY: 829200 738.8557 2107.7093 1949.9030 108.6693 -205718.6319 17814.6135 0.0000 0.0000 34490.8490 -148508.0320 301.2172 -182998.8811 -148406.3129 301.3688 -82.8166 -49.0334 559198.5585 3.8350 3.7903 PRESSURE: 829400 -33.2505 33.2197 -234.878 33.2181 -207.007 -69.6721 -234.879 -69.6734 -80.9726 GPRESSURE: 829400 34.2201 64.7442 -233.155 -5.77382 -198.189 -86.5065 -204.82 -1.11833 -55.2793 PRESSAVG: 829400 49.141 -7.74055 -23.4327 -7.74057 30.164 -13.6432 -23.4327 -13.6432 -65.6682 GPRESSAVG: 829400 48.5994 -7.5149 -23.9535 -9.03029 28.9452 -12.6892 -22.4253 -14.8869 -64.0175 TIMING: 829400 CPU: 2458.84, 0.00298206/step Wall: 2458.84, 0.00298206/step, 3.45472 hours remaining, 207.339844 MB of memory in use. ENERGY: 829400 745.8338 2038.8508 1950.2941 112.5897 -205107.6590 17493.8939 0.0000 0.0000 34322.6786 -148443.5181 299.7485 -182766.1966 -148345.5448 300.6325 -107.0766 -73.0826 559387.8615 4.5456 4.5091 PRESSURE: 829600 25.6529 -12.3212 -6.36238 -12.3201 -120.226 182.146 -6.36215 182.148 -120.911 GPRESSURE: 829600 29.1014 51.2974 -24.8105 -23.4923 -35.099 208.912 -2.97289 122.642 -114.684 PRESSAVG: 829600 -40.1637 57.649 -39.3188 57.6489 1.22064 -11.284 -39.3188 -11.284 72.598 GPRESSAVG: 829600 -41.2888 58.9383 -38.6322 56.579 3.03907 -10.4 -38.4924 -11.703 72.1961 TIMING: 829600 CPU: 2459.44, 0.00300151/step Wall: 2459.44, 0.00300151/step, 3.47708 hours remaining, 207.339844 MB of memory in use. ENERGY: 829600 764.9849 2125.6218 1944.2530 99.1781 -205599.7336 17715.6921 0.0000 0.0000 34428.4081 -148521.5955 300.6719 -182950.0037 -148433.7578 300.9587 -71.8282 -40.2272 558012.1876 11.2183 11.3154 PRESSURE: 829800 -167.046 72.5302 149.678 72.5309 92.7087 24.2485 149.678 24.2478 81.5921 GPRESSURE: 829800 -98.3014 111.162 119.161 39.5912 50.6628 22.896 90.4389 5.92752 160.209 PRESSAVG: 829800 -33.4023 29.7303 -6.15739 29.7303 9.20522 78.6039 -6.15748 78.6039 42.3751 GPRESSAVG: 829800 -31.961 29.9747 -6.62867 29.4697 8.53832 77.0085 -7.3447 79.762 41.5221 TIMING: 829800 CPU: 2460.04, 0.00296604/step Wall: 2460.04, 0.00296604/step, 3.43583 hours remaining, 207.339844 MB of memory in use. ENERGY: 829800 737.5096 2086.1550 1953.2127 104.7727 -205756.7526 17803.8651 0.0000 0.0000 34526.5905 -148544.6470 301.5293 -183071.2375 -148447.9984 300.9960 2.4184 37.5233 557955.9229 6.0593 6.0331 PRESSURE: 830000 -11.3088 94.1157 -39.4942 94.1163 -229.851 17.6283 -39.4931 17.6286 85.5893 GPRESSURE: 830000 36.4482 20.6882 -71.8495 155.741 -186.751 -4.68592 -0.748974 35.0226 95.4566 PRESSAVG: 830000 -27.6394 49.2805 40.2452 49.2805 -1.11746 46.9734 40.2452 46.9734 50.5319 GPRESSAVG: 830000 -27.8367 46.249 38.817 50.6229 -2.35058 48.8544 41.225 45.8501 51.7452 TIMING: 830000 CPU: 2460.63, 0.00298438/step Wall: 2460.63, 0.00298438/step, 3.4569 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: 830000 721.0575 2057.2896 1972.1155 123.1202 -204927.9545 17273.1464 0.0000 0.0000 34334.9060 -148446.3194 299.8553 -182781.2253 -148350.8276 301.1594 -51.8568 -18.2819 557775.0823 7.2584 7.1860 PRESSURE: 830200 126.692 -55.5847 7.33174 -55.5859 -108.905 -14.1911 7.33308 -14.1905 -67.3169 GPRESSURE: 830200 162.061 -68.3237 -97.6424 -67.2496 -54.2306 -76.0844 48.9828 4.21665 -62.6922 PRESSAVG: 830200 -0.697278 34.7621 48.5513 34.7622 -18.6161 -42.3099 48.5513 -42.3099 25.7586 GPRESSAVG: 830200 -1.72082 35.0295 50.2341 35.3631 -17.1855 -42.0362 49.6365 -42.3123 25.2802 TIMING: 830200 CPU: 2461.23, 0.00298778/step Wall: 2461.23, 0.00298778/step, 3.46068 hours remaining, 207.339844 MB of memory in use. ENERGY: 830200 764.7311 2141.5397 1930.8372 106.6153 -205732.7215 17737.3587 0.0000 0.0000 34358.2153 -148693.4242 300.0588 -183051.6395 -148593.0061 300.6135 -16.5098 15.0462 558338.0814 2.1484 2.1246 PRESSURE: 830400 275.038 -121.537 3.19741 -121.537 153.923 107.03 3.19761 107.03 119.876 GPRESSURE: 830400 287.181 -124.256 44.2742 -107.927 178.181 198.056 -36.4724 69.987 185.95 PRESSAVG: 830400 43.287 -2.12256 2.75442 -2.12263 1.9845 22.132 2.75452 22.132 -46.1211 GPRESSAVG: 830400 43.6309 -1.67391 2.08168 -4.73726 0.933024 21.2083 1.29205 22.8773 -45.5708 TIMING: 830400 CPU: 2461.83, 0.00297915/step Wall: 2461.83, 0.00297915/step, 3.45052 hours remaining, 207.339844 MB of memory in use. ENERGY: 830400 727.3189 2057.8916 1918.6764 114.3998 -205988.7018 18093.8796 0.0000 0.0000 34202.9881 -148873.5475 298.7032 -183076.5355 -148775.4956 299.4663 182.9457 217.1040 558294.9374 -0.2832 -0.3356 PRESSURE: 830600 125.311 -74.1586 101.438 -74.1574 -25.5671 88.6592 101.438 88.6585 -77.3839 GPRESSURE: 830600 159.277 -45.8152 192.661 -68.5448 13.2166 19.0836 48.0145 129.331 -29.1775 PRESSAVG: 830600 9.15081 -10.83 -4.95875 -10.8301 -54.9702 58.2117 -4.95886 58.2117 28.5089 GPRESSAVG: 830600 9.42331 -11.6317 -4.08439 -8.30268 -55.589 58.5416 -5.32752 57.9066 28.9061 TIMING: 830600 CPU: 2462.43, 0.00298843/step Wall: 2462.43, 0.00298843/step, 3.4611 hours remaining, 207.339844 MB of memory in use. ENERGY: 830600 758.2569 2044.2500 1960.5917 99.8463 -205873.7516 17854.7998 0.0000 0.0000 34403.8152 -148752.1918 300.4571 -183156.0070 -148651.9581 300.0918 7.4535 47.7721 558918.6331 -5.7702 -5.7532 PRESSURE: 830800 197.627 -110.038 68.9041 -110.037 -18.2018 -20.6806 68.9037 -20.6807 -212.348 GPRESSURE: 830800 247.429 -109.262 57.3885 -58.1911 0.324053 -93.9218 86.5901 -9.67492 -186.494 PRESSAVG: 830800 98.1497 -40.6563 -25.3967 -40.6563 -52.1903 -15.1706 -25.3966 -15.1707 -32.3824 GPRESSAVG: 830800 98.3403 -40.1145 -24.0282 -40.9682 -52.3842 -14.8089 -26.8833 -15.4163 -32.8056 TIMING: 830800 CPU: 2463.02, 0.00297023/step Wall: 2463.02, 0.00297023/step, 3.43985 hours remaining, 207.339844 MB of memory in use. ENERGY: 830800 750.7184 2042.5052 1947.1563 94.8193 -205979.9891 17908.0006 0.0000 0.0000 34396.1317 -148840.6575 300.3900 -183236.7892 -148748.6088 300.3636 -10.9743 20.4197 559255.4460 4.5257 4.3835 PRESSURE: 831000 -49.156 -16.5545 48.9808 -16.5539 136.007 32.7256 48.981 32.7265 -113.598 GPRESSURE: 831000 -51.1511 6.82467 87.8736 -4.02713 201.969 -1.95791 0.174193 9.493 -86.6044 PRESSAVG: 831000 22.2665 35.9679 34.5887 35.9679 -0.153365 0.732159 34.5887 0.732213 -46.0185 GPRESSAVG: 831000 21.8105 36.2193 34.4353 36.0257 1.3423 0.296523 35.7972 -0.0778978 -46.7648 TIMING: 831000 CPU: 2463.61, 0.00296076/step Wall: 2463.61, 0.00296076/step, 3.42872 hours remaining, 207.339844 MB of memory in use. ENERGY: 831000 731.8333 2119.8594 1941.1366 120.7001 -205528.8670 17697.3435 0.0000 0.0000 34210.8986 -148707.0956 298.7723 -182917.9942 -148608.2018 300.7084 -8.9157 21.4043 559805.5111 -7.9685 -7.8707 PRESSURE: 831200 -237.396 -52.6843 -12.9988 -52.6851 -224.698 -226.847 -12.9977 -226.849 -203.451 GPRESSURE: 831200 -222.342 -109.748 -94.4487 -36.1812 -253.987 -176.657 -4.00305 -139.778 -99.8794 PRESSAVG: 831200 11.3685 17.919 -61.4046 17.9191 -29.5594 49.797 -61.4045 49.797 28.0661 GPRESSAVG: 831200 12.4563 18.1537 -62.6314 17.5551 -30.4211 49.7435 -61.0632 51.2901 27.6791 TIMING: 831200 CPU: 2464.21, 0.00297745/step Wall: 2464.21, 0.00297745/step, 3.44789 hours remaining, 207.339844 MB of memory in use. ENERGY: 831200 746.3628 2100.8643 1947.0402 126.4982 -205677.6948 17553.5331 0.0000 0.0000 34607.6476 -148595.7486 302.2372 -183203.3962 -148504.1320 301.4353 -221.8482 -192.0694 559957.6962 3.2917 3.2381 PRESSURE: 831400 -220.038 71.8249 74.8826 71.8249 -212.03 57.1553 74.8844 57.1551 -192.664 GPRESSURE: 831400 -209.352 154.321 13.8774 12.4004 -159.901 7.64931 110.976 82.3854 -162.148 PRESSAVG: 831400 1.36511 18.5401 -25.3658 18.5401 -40.4226 39.0057 -25.3659 39.0056 -11.7162 GPRESSAVG: 831400 1.04311 20.9284 -24.5382 14.8185 -41.4833 41.0464 -26.8081 36.6507 -10.2711 TIMING: 831400 CPU: 2464.8, 0.00298707/step Wall: 2464.8, 0.00298707/step, 3.45886 hours remaining, 207.339844 MB of memory in use. ENERGY: 831400 774.2099 2138.9888 1943.2071 107.8756 -205598.0631 17465.8162 0.0000 0.0000 34342.8732 -148825.0925 299.9249 -183167.9656 -148720.4117 300.2350 -208.2442 -177.1340 559804.6990 -16.9246 -16.9038 PRESSURE: 831600 27.4697 38.1774 56.1296 38.1774 -147.291 212.044 56.1296 212.043 -160.13 GPRESSURE: 831600 80.2336 -40.6711 -1.63326 71.6727 -107.791 180.311 92.2353 194.88 -155.705 PRESSAVG: 831600 4.2051 21.7095 -0.634917 21.7094 -12.9476 56.6364 -0.634921 56.6363 3.12858 GPRESSAVG: 831600 4.49365 18.8839 -0.43115 24.8235 -11.7863 54.318 0.865177 59.2796 2.37316 TIMING: 831600 CPU: 2465.4, 0.00298889/step Wall: 2465.4, 0.00298889/step, 3.46081 hours remaining, 207.339844 MB of memory in use. ENERGY: 831600 752.9666 2136.2318 1942.5473 111.0726 -206181.9367 17878.2090 0.0000 0.0000 34624.7420 -148736.1675 302.3865 -183360.9095 -148638.6702 300.7775 -93.3170 -61.0874 559169.0521 -1.8713 -1.6398 PRESSURE: 831800 -235.876 43.3562 46.8839 43.356 -328.726 -60.2619 46.8839 -60.261 -24.5767 GPRESSURE: 831800 -154.497 66.156 82.051 32.0413 -313.178 -30.4816 53.5297 -62.489 -25.3364 PRESSAVG: 831800 3.61427 -9.36768 -34.128 -9.36782 -18.5214 51.2587 -34.128 51.2587 -6.46838 GPRESSAVG: 831800 2.71233 -10.0155 -35.2414 -8.77562 -18.945 50.5034 -35.5575 49.0985 -5.27099 TIMING: 831800 CPU: 2466, 0.00298302/step Wall: 2466, 0.00298302/step, 3.45384 hours remaining, 207.339844 MB of memory in use. ENERGY: 831800 721.3055 2153.5282 1982.5028 102.5997 -205644.0631 17446.7193 0.0000 0.0000 34225.3858 -149012.0218 298.8988 -183237.4075 -148916.6043 300.5216 -196.3928 -164.3371 558982.6472 -7.1252 -7.1679 PRESSURE: 832000 169.857 35.2022 264.474 35.2025 -415.018 71.8226 264.473 71.8227 142.537 GPRESSURE: 832000 180.842 10.6023 224.02 53.715 -360.799 102.83 284.201 104.269 176.282 PRESSAVG: 832000 26.1376 7.45932 19.915 7.45928 -17.7396 -14.3369 19.915 -14.3369 1.77002 GPRESSAVG: 832000 26.7106 8.48619 21.2214 6.18102 -16.986 -13.3665 19.4335 -15.4901 0.134375 TIMING: 832000 CPU: 2466.59, 0.00296759/step Wall: 2466.59, 0.00296759/step, 3.43581 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: 832000 735.3066 2109.8422 1952.3504 114.8521 -205978.8784 17752.9398 0.0000 0.0000 34182.9324 -149130.6549 298.5281 -183313.5873 -149038.7389 299.9095 -34.2079 -1.2253 557587.6318 3.3893 3.2863 PRESSURE: 832200 64.4636 -101.548 197.263 -101.548 -97.2142 159.938 197.264 159.938 99.5255 GPRESSURE: 832200 105.381 -73.7974 191.306 -76.5 -21.4202 63.0098 237.51 172.262 73.5182 PRESSAVG: 832200 12.55 -36.7184 14.8859 -36.7183 -57.2713 -58.8864 14.886 -58.8866 33.6368 GPRESSAVG: 832200 11.8601 -38.3327 14.8173 -35.0467 -57.3073 -59.089 16.8768 -54.0831 33.9924 TIMING: 832200 CPU: 2467.19, 0.00298067/step Wall: 2467.19, 0.00298067/step, 3.45078 hours remaining, 207.339844 MB of memory in use. ENERGY: 832200 743.9672 2112.3337 1982.1327 123.5594 -206016.6497 17768.2493 0.0000 0.0000 34344.3374 -148942.0700 299.9376 -183286.4074 -148849.8492 300.0000 22.2583 52.4931 557460.3283 -3.6948 -3.8183 LDB: ============= START OF LOAD BALANCING ============== 2470.62 LDB: ============== END OF LOAD BALANCING =============== 2470.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2470.62 LDB: ============= START OF LOAD BALANCING ============== 2470.92 LDB: Largest compute 4820 load 0.032216 is 27.3% of average load 0.117856 LDB: Average compute 0.001734 is 1.5% of average load 0.117856 LDB: TIME 2470.92 LOAD: AVG 0.117856 MAX 0.198448 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.711 MB LDB: TIME 2470.92 LOAD: AVG 0.117856 MAX 0.198448 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.711 MB LDB: TIME 2470.92 LOAD: AVG 0.117856 MAX 0.198448 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.711 MB LDB: ============== END OF LOAD BALANCING =============== 2470.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2470.92 PRESSURE: 832400 111.537 58.7968 73.6445 58.7965 31.1735 -143.254 73.6451 -143.252 109.692 GPRESSURE: 832400 115.87 70.717 79.7978 72.5852 49.8165 -76.6567 -11.4865 -127.45 171.131 PRESSAVG: 832400 82.3652 -5.16214 34.0107 -5.16211 -22.0035 -71.3364 34.0107 -71.3363 -42.3209 GPRESSAVG: 832400 82.6528 -3.37959 33.6165 -6.12504 -21.2458 -71.5027 33.9475 -75.0977 -43.0817 TIMING: 832400 CPU: 2467.79, 0.0030273/step Wall: 2467.79, 0.0030273/step, 3.5046 hours remaining, 205.734375 MB of memory in use. ENERGY: 832400 723.3621 2076.4484 1960.1169 119.1307 -206088.6283 17736.6268 0.0000 0.0000 34396.3560 -149076.5873 300.3919 -183472.9433 -148984.5245 299.7077 84.1341 112.2727 556311.4630 6.0136 6.1085 PRESSURE: 832600 -192.257 60.9586 -71.2285 60.9577 -49.8104 18.1094 -71.2269 18.1091 -128.68 GPRESSURE: 832600 -172.321 -7.28223 -196.439 121.955 -45.6369 -38.0313 64.9575 -41.5666 -59.1096 PRESSAVG: 832600 -10.5627 25.2055 35.5693 25.2055 27.7299 -64.6844 35.5693 -64.6844 -53.9435 GPRESSAVG: 832600 -10.3295 25.293 35.181 22.9842 26.896 -65.6347 35.2902 -63.2199 -53.0405 TIMING: 832600 CPU: 2468.39, 0.00299333/step Wall: 2468.39, 0.00299333/step, 3.46511 hours remaining, 205.937500 MB of memory in use. ENERGY: 832600 727.9201 2079.5568 1923.7997 123.0189 -205726.6747 17457.8642 0.0000 0.0000 34331.4489 -149083.0660 299.8251 -183414.5149 -148986.0862 299.2113 -123.5823 -92.3560 557681.7242 -12.2588 -12.1580 PRESSURE: 832800 14.4613 -9.2414 -71.2236 -9.24085 63.9102 171.867 -71.2227 171.866 -117.842 GPRESSURE: 832800 49.0178 -4.75728 -98.4763 -4.35461 47 258.94 -88.435 189.553 -28.794 PRESSAVG: 832800 20.2014 58.8087 20.7566 58.8087 10.6801 -20.988 20.7566 -20.9881 -17.7894 GPRESSAVG: 832800 20.9557 58.4505 19.6129 60.4742 9.7995 -20.3628 21.178 -21.4825 -17.5062 TIMING: 832800 CPU: 2468.99, 0.0029798/step Wall: 2468.99, 0.0029798/step, 3.44928 hours remaining, 205.937500 MB of memory in use. ENERGY: 832800 746.0087 2108.0991 1954.6901 113.3836 -206177.6049 17764.0718 0.0000 0.0000 34403.4431 -149087.9084 300.4538 -183491.3515 -148988.1857 299.6065 -13.1568 22.4079 556303.0339 4.3641 4.4163 PRESSURE: 833000 133.395 -32.5793 -75.6341 -32.5804 -154.83 -110.93 -75.6339 -110.93 -104.692 GPRESSURE: 833000 182.65 -19.5668 -95.865 -117.73 -112.315 -134.671 -73.7237 -118.276 -94.2692 PRESSAVG: 833000 -14.1161 48.2685 -40.4009 48.2685 11.5017 -16.1297 -40.401 -16.1296 28.2071 GPRESSAVG: 833000 -13.2464 48.4618 -40.3576 47.6442 11.9304 -15.1342 -39.9525 -15.0888 26.5382 TIMING: 833000 CPU: 2469.58, 0.00297827/step Wall: 2469.58, 0.00297827/step, 3.44735 hours remaining, 205.937500 MB of memory in use. ENERGY: 833000 738.2957 2102.5852 1940.4013 114.7652 -206234.5757 17884.7241 0.0000 0.0000 34406.3800 -149047.4242 300.4795 -183453.8041 -148949.5374 300.0344 -42.0421 -7.9779 557422.8218 8.5309 8.4074 PRESSURE: 833200 31.8744 127.838 -79.0967 127.838 -28.1747 -124.871 -79.0975 -124.871 424.409 GPRESSURE: 833200 109.276 96.2671 -100.85 114.378 0.0992539 -147.239 -13.6946 -117.878 401.118 PRESSAVG: 833200 2.01481 27.4434 3.45312 27.4435 16.574 19.7477 3.45322 19.7477 -9.24056 GPRESSAVG: 833200 1.33423 28.4335 4.88255 24.9158 15.7824 17.1247 2.71508 21.7583 -8.24527 TIMING: 833200 CPU: 2470.18, 0.00298442/step Wall: 2470.18, 0.00298442/step, 3.4543 hours remaining, 205.937500 MB of memory in use. ENERGY: 833200 745.0616 2066.0578 1918.2332 109.9147 -206334.2339 18000.1323 0.0000 0.0000 34403.4614 -149091.3730 300.4540 -183494.8344 -148993.6834 299.7865 142.7028 170.1642 556414.7987 3.1161 2.9571 PRESSURE: 833400 3.94176 81.9202 52.4765 81.9221 47.6283 -101.124 52.4756 -101.125 96.0534 GPRESSURE: 833400 48.6195 -20.2491 -21.5075 -38.8962 116.187 -74.534 40.6859 -84.6171 83.3887 PRESSAVG: 833400 3.01872 28.9893 -11.8917 28.9894 44.0779 -16.7252 -11.8916 -16.7253 -43.785 GPRESSAVG: 833400 1.96342 27.0616 -11.5611 32.5756 45.2905 -14.7157 -13.3263 -17.5677 -44.6437 TIMING: 833400 CPU: 2470.78, 0.002984/step Wall: 2470.78, 0.002984/step, 3.45364 hours remaining, 205.937500 MB of memory in use. ENERGY: 833400 788.6726 2121.4658 1918.8970 107.6126 -206339.8634 17966.4586 0.0000 0.0000 34294.4961 -149142.2606 299.5024 -183436.7567 -149037.4560 299.8126 49.2078 82.7317 558576.3412 1.1039 0.8701 PRESSURE: 833600 93.5032 -38.6089 40.2887 -38.6087 3.13054 100.072 40.2892 100.07 -176.272 GPRESSURE: 833600 139.798 -30.0215 86.8211 -57.4004 25.3592 85.1245 3.20657 88.2388 -144.673 PRESSAVG: 833600 6.93594 -39.7648 38.7091 -39.7648 -23.9172 18.8493 38.7091 18.8493 32.8236 GPRESSAVG: 833600 8.40614 -36.6441 36.3815 -41.3971 -25.885 18.5294 40.8791 17.7318 33.0808 TIMING: 833600 CPU: 2471.37, 0.00297068/step Wall: 2471.37, 0.00297068/step, 3.43807 hours remaining, 205.937500 MB of memory in use. ENERGY: 833600 756.9002 2083.8972 1928.1083 109.0108 -205828.2732 17728.7147 0.0000 0.0000 34229.1696 -148992.4724 298.9319 -183221.6420 -148898.9547 299.6532 -26.5462 6.8279 557248.4700 5.2808 5.2006 PRESSURE: 833800 9.60486 -165.731 -27.3966 -165.732 172.031 18.0468 -27.3957 18.0453 -19.3364 GPRESSURE: 833800 64.7113 -108.083 47.6699 -137.998 132.731 -52.8491 -15.3196 -9.41561 60.4898 PRESSAVG: 833800 21.1072 19.638 37.0311 19.638 -10.3432 -9.50671 37.0312 -9.50686 -5.22847 GPRESSAVG: 833800 20.9216 17.6496 38.5455 20.4962 -10.5346 -11.2684 38.071 -8.25658 -5.17079 TIMING: 833800 CPU: 2471.98, 0.00302387/step Wall: 2471.98, 0.00302387/step, 3.49946 hours remaining, 205.937500 MB of memory in use. ENERGY: 833800 745.9665 2145.5183 1958.0500 103.3069 -206149.4628 17868.6768 0.0000 0.0000 34274.2342 -149053.7102 299.3254 -183327.9444 -148955.8675 299.0991 54.0999 85.9772 558078.8843 1.8452 1.7388 PRESSURE: 834000 39.8027 -5.04607 -121.931 -5.04488 -249.884 23.4935 -121.931 23.4928 43.3428 GPRESSURE: 834000 23.8764 -13.4754 -45.784 70.1718 -184.691 25.3221 -92.3964 12.878 88.1404 PRESSAVG: 834000 10.4624 32.1571 19.3576 32.1573 6.00348 0.112086 19.3577 0.112201 -12.1952 GPRESSAVG: 834000 9.75372 32.1093 18.5283 33.0135 6.48841 -0.735122 17.2553 1.19551 -12.0465 TIMING: 834000 CPU: 2472.58, 0.00300441/step Wall: 2472.58, 0.00300441/step, 3.47677 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: 834000 731.0991 2115.4576 1964.4356 106.0878 -205884.7177 17626.9710 0.0000 0.0000 34234.8916 -149105.7750 298.9818 -183340.6666 -149013.7173 299.4140 -55.5796 -24.2248 558717.7199 1.4236 1.3985 PRESSURE: 834200 -332.076 -6.46678 -35.4647 -6.46863 -4.11024 157.401 -35.4646 157.401 -19.3556 GPRESSURE: 834200 -360.714 -51.0523 -83.1001 91.7667 35.4396 189.523 -22.0349 133.741 61.6843 PRESSAVG: 834200 39.0408 39.3639 -12.149 39.3639 40.216 -40.4926 -12.1489 -40.4926 -25.7235 GPRESSAVG: 834200 38.6368 38.5729 -13.3668 39.3715 40.7154 -37.9633 -7.9616 -42.0908 -25.8986 TIMING: 834200 CPU: 2473.17, 0.0029771/step Wall: 2473.17, 0.0029771/step, 3.445 hours remaining, 205.937500 MB of memory in use. ENERGY: 834200 696.8166 2118.8351 1962.5075 129.1250 -205989.0329 17661.7781 0.0000 0.0000 34237.5417 -149182.4289 299.0050 -183419.9706 -149081.9705 299.8892 -118.5140 -87.8633 558673.0049 17.8445 17.8179 PRESSURE: 834400 -109.025 -26.6328 -17.1448 -26.6331 125.017 -15.5607 -17.1453 -15.5601 -318.916 GPRESSURE: 834400 -46.6034 -93.8568 -71.9805 65.2058 132.53 -25.2461 -11.5262 -2.64401 -295.947 PRESSAVG: 834400 9.17169 -7.03085 -28.0767 -7.03091 14.5743 -4.1486 -28.0766 -4.14866 -36.6969 GPRESSAVG: 834400 8.82765 -6.26972 -27.8149 -5.83044 14.4172 -4.06295 -31.0571 -4.6421 -35.3503 TIMING: 834400 CPU: 2473.76, 0.00295608/step Wall: 2473.76, 0.00295608/step, 3.42051 hours remaining, 205.937500 MB of memory in use. ENERGY: 834400 808.9738 2084.8001 1924.6990 114.5437 -206402.3035 17908.7991 0.0000 0.0000 34228.9491 -149331.5387 298.9299 -183560.4878 -149234.9232 298.9395 -100.9749 -70.0068 559026.0356 -4.3170 -4.0351 PRESSURE: 834600 -14.6143 -72.0108 -119.788 -72.0105 -125.323 128.278 -119.789 128.28 -95.3817 GPRESSURE: 834600 34.4404 -101.246 -76.916 -101.516 -67.0974 193.095 -130.349 26.8024 -92.6724 PRESSAVG: 834600 79.1672 -6.82443 -46.1535 -6.82445 28.7576 58.9292 -46.1536 58.9292 -70.8562 GPRESSAVG: 834600 80.636 -10.6851 -42.5578 -5.10051 29.1105 58.8043 -46.5934 59.003 -71.5861 TIMING: 834600 CPU: 2474.36, 0.00296089/step Wall: 2474.36, 0.00296089/step, 3.42592 hours remaining, 205.937500 MB of memory in use. ENERGY: 834600 754.3055 2086.8738 1964.7715 112.6535 -205970.5510 17724.7255 0.0000 0.0000 34149.0907 -149178.1305 298.2325 -183327.2212 -149076.3403 299.2703 -78.4395 -41.7765 558919.9940 12.3562 12.7202 PRESSURE: 834800 239.873 35.912 -9.35087 35.9105 101.726 172.922 -9.35051 172.921 259.195 GPRESSURE: 834800 302.936 35.6471 4.0434 20.3508 105.716 159.56 -9.88404 143.451 279.762 PRESSAVG: 834800 41.3624 -25.6402 2.88079 -25.6401 2.38563 -51.0093 2.88069 -51.0092 -48.1601 GPRESSAVG: 834800 40.765 -22.5632 -1.20174 -27.9709 2.7454 -51.8436 3.52858 -50.8957 -47.7515 TIMING: 834800 CPU: 2474.95, 0.00297662/step Wall: 2474.95, 0.00297662/step, 3.44394 hours remaining, 205.937500 MB of memory in use. ENERGY: 834800 720.2965 2117.0546 1968.0425 98.9881 -206655.2227 18156.4194 0.0000 0.0000 34359.4370 -149234.9846 300.0695 -183594.4216 -149139.4407 299.1931 200.2646 229.4713 556688.7436 -1.4707 -1.4137 PRESSURE: 835000 210.372 24.675 13.1229 24.675 -176.104 116.228 13.1223 116.227 -230.046 GPRESSURE: 835000 231.978 38.3633 3.56334 4.08036 -128.062 116.227 79.991 102.27 -207.046 PRESSAVG: 835000 52.0443 6.15863 54.39 6.15858 12.4165 1.42823 54.3899 1.42814 -54.9875 GPRESSAVG: 835000 52.4125 6.03874 55.2971 6.06179 11.9988 2.20357 54.3945 1.81892 -55.1821 TIMING: 835000 CPU: 2475.55, 0.00297698/step Wall: 2475.55, 0.00297698/step, 3.4442 hours remaining, 205.937500 MB of memory in use. ENERGY: 835000 752.1333 2105.6873 1967.5040 106.0535 -206038.6546 17743.0630 0.0000 0.0000 34267.4961 -149096.7173 299.2666 -183364.2135 -149003.8086 298.9956 -65.2594 -34.3767 558371.1571 3.1578 3.0764 PRESSURE: 835200 -187.905 141.162 31.8016 141.16 98.828 63.5206 31.8014 63.5204 144.011 GPRESSURE: 835200 -140.62 45.7561 -77.5739 193.4 108.588 125.518 126.946 46.7605 191.473 PRESSAVG: 835200 11.3161 54.5703 39.4774 54.5703 7.2016 17.3881 39.4774 17.3881 -23.4917 GPRESSAVG: 835200 12.2113 55.5613 39.3344 55.5525 5.70527 16.5039 40.2781 19.1931 -23.118 TIMING: 835200 CPU: 2476.14, 0.0029436/step Wall: 2476.14, 0.0029436/step, 3.40541 hours remaining, 205.937500 MB of memory in use. ENERGY: 835200 710.0742 2078.2390 1966.4024 137.2905 -205882.1559 17698.6135 0.0000 0.0000 34136.9911 -149154.5451 298.1268 -183291.5363 -149058.2502 299.0500 18.3113 53.1469 557715.0626 -1.6580 -1.7338 PRESSURE: 835400 -157.4 -16.5441 -32.4126 -16.5437 -237.258 -34.5377 -32.4128 -34.5388 -167.755 GPRESSURE: 835400 -132.875 -31.8494 -31.5815 -47.8064 -165.006 -20.7427 -57.6177 -36.0044 -168.891 PRESSAVG: 835400 -15.9921 28.8841 -21.4447 28.8841 -34.2608 -33.6531 -21.4446 -33.6532 37.2227 GPRESSAVG: 835400 -15.7941 29.5886 -22.2225 27.6104 -33.1599 -32.2734 -21.3239 -34.9656 35.843 TIMING: 835400 CPU: 2476.73, 0.00294464/step Wall: 2476.73, 0.00294464/step, 3.40646 hours remaining, 205.937500 MB of memory in use. ENERGY: 835400 776.7147 2053.2061 1948.0762 101.4871 -206204.4298 17675.1641 0.0000 0.0000 34351.9479 -149297.8335 300.0041 -183649.7815 -149205.5503 299.1381 -187.4711 -155.5907 558922.2353 -4.3434 -4.3703 PRESSURE: 835600 -51.4 23.848 98.201 23.848 55.7208 -195.304 98.202 -195.305 -392.987 GPRESSURE: 835600 -20.2305 45.0622 58.623 41.8214 81.3308 -229.592 146.92 -204.655 -344.08 PRESSAVG: 835600 29.1308 18.8569 1.09407 18.8571 -52.1203 -62.0616 1.09398 -62.0617 8.53955 GPRESSAVG: 835600 28.7842 19.5273 2.66438 19.5259 -51.7419 -62.0024 -0.77988 -60.0906 8.78958 TIMING: 835600 CPU: 2477.32, 0.00295534/step Wall: 2477.32, 0.00295534/step, 3.41867 hours remaining, 205.937500 MB of memory in use. ENERGY: 835600 731.6147 2062.7251 1958.7613 111.6052 -206158.7867 17623.5393 0.0000 0.0000 34231.6119 -149438.9293 298.9532 -183670.5411 -149333.4222 299.1567 -129.5554 -94.3267 557787.2296 -4.8167 -4.7227 PRESSURE: 835800 -87.1417 56.423 101.961 56.4232 -220.702 -155.414 101.962 -155.414 -88.1113 GPRESSURE: 835800 -63.2837 66.6101 34.9268 56.0244 -171.906 -150.953 69.4575 -92.3567 -45.0774 PRESSAVG: 835800 45.2158 11.5007 58.9231 11.5006 -46.3067 -37.2692 58.9231 -37.2693 56.9032 GPRESSAVG: 835800 45.345 9.42772 59.2287 12.2857 -46.7155 -38.1433 58.0328 -38.0909 57.4327 TIMING: 835800 CPU: 2477.91, 0.00298471/step Wall: 2477.91, 0.00298471/step, 3.45248 hours remaining, 205.937500 MB of memory in use. ENERGY: 835800 742.9782 2058.0479 1948.7643 117.6124 -206213.4133 17636.7184 0.0000 0.0000 34270.0812 -149439.2110 299.2891 -183709.2922 -149339.7578 298.5133 -131.9851 -93.4225 557578.3387 18.6041 18.6874 PRESSURE: 836000 49.693 19.3825 -93.9073 19.382 162.583 105.058 -93.9071 105.059 -123.123 GPRESSURE: 836000 76.4481 -73.8164 -100.493 67.607 231.475 48.0885 -144.332 146.589 -113.954 PRESSAVG: 836000 -23.4989 -9.79785 -40.3235 -9.79784 -2.43742 -40.7126 -40.3235 -40.7126 22.7777 GPRESSAVG: 836000 -24.2605 -10.5038 -40.8609 -12.1543 -1.02224 -39.9789 -38.4242 -41.9534 21.7054 TIMING: 836000 CPU: 2478.51, 0.00297618/step Wall: 2478.51, 0.00297618/step, 3.44245 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: 836000 745.3839 2110.9192 1901.1472 113.3698 -206337.4602 17900.9629 0.0000 0.0000 34222.3343 -149343.3429 298.8722 -183565.6772 -149246.4796 298.5100 29.7178 64.6565 557090.9813 -1.0529 -1.1925 PRESSURE: 836200 481.845 -49.7188 -61.6283 -49.7181 5.95013 -30.4298 -61.6282 -30.4307 24.7078 GPRESSURE: 836200 462.341 -26.6277 12.8171 -59.3468 97.7628 -5.49053 -84.8937 8.53257 40.961 PRESSAVG: 836200 -40.0076 44.4636 -37.2906 44.4636 56.2208 -16.6198 -37.2907 -16.6199 -31.7569 GPRESSAVG: 836200 -40.0894 45.4928 -36.1295 44.3379 55.8074 -16.5431 -38.6678 -16.1611 -30.4963 TIMING: 836200 CPU: 2479.1, 0.00297889/step Wall: 2479.1, 0.00297889/step, 3.44542 hours remaining, 205.937500 MB of memory in use. ENERGY: 836200 734.7022 2070.8397 1960.4217 113.5963 -206535.4605 18113.9869 0.0000 0.0000 34155.3921 -149386.5217 298.2875 -183541.9138 -149292.0560 299.2055 170.8342 200.3549 556547.8901 -5.1812 -4.9261 LDB: ============= START OF LOAD BALANCING ============== 2482.53 LDB: ============== END OF LOAD BALANCING =============== 2482.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2482.53 LDB: ============= START OF LOAD BALANCING ============== 2482.83 LDB: Largest compute 4820 load 0.031446 is 26.7% of average load 0.117807 LDB: Average compute 0.001733 is 1.5% of average load 0.117807 LDB: TIME 2482.83 LOAD: AVG 0.117807 MAX 0.196679 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.219 MB LDB: TIME 2482.83 LOAD: AVG 0.117807 MAX 0.196679 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: TIME 2482.84 LOAD: AVG 0.117807 MAX 0.196679 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.219 MB LDB: ============== END OF LOAD BALANCING =============== 2482.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2482.84 PRESSURE: 836400 0.239169 5.84273 -63.5239 5.84263 -292.38 -18.0363 -63.5222 -18.0347 235.892 GPRESSURE: 836400 53.9708 -101.361 -53.7692 60.6908 -268.819 14.9214 -109.599 -44.7426 260.759 PRESSAVG: 836400 30.2055 8.27799 6.4872 8.27798 -38.2791 -13.861 6.48725 -13.861 37.3766 GPRESSAVG: 836400 31.5348 7.09098 4.86563 9.71324 -39.0529 -15.1269 4.94218 -13.1982 37.0609 TIMING: 836400 CPU: 2479.71, 0.00303807/step Wall: 2479.71, 0.00303807/step, 3.51369 hours remaining, 208.046875 MB of memory in use. ENERGY: 836400 745.0149 2063.0617 1959.3405 99.9334 -206108.2295 17828.7000 0.0000 0.0000 34011.9183 -149400.2606 297.0345 -183412.1790 -149301.6285 298.6984 -18.7496 15.3037 557069.5119 9.7676 9.8476 PRESSURE: 836600 -135.795 28.3011 -124.36 28.3011 -106.821 -101.292 -124.36 -101.29 -161.956 GPRESSURE: 836600 -99.0429 -56.7464 -202.357 98.9089 -81.3952 -0.637732 -18.484 -155.492 -137.895 PRESSAVG: 836600 -58.6337 72.8128 10.4437 72.8129 17.6495 15.8657 10.4437 15.8657 30.5737 GPRESSAVG: 836600 -57.665 74.5341 11.6162 72.0813 17.7518 16.552 13.3101 15.468 29.9081 TIMING: 836600 CPU: 2480.31, 0.00297693/step Wall: 2480.31, 0.00297693/step, 3.44281 hours remaining, 208.117188 MB of memory in use. ENERGY: 836600 726.8334 2079.7185 1938.4044 101.1611 -205674.1656 17626.5806 0.0000 0.0000 33984.1034 -149217.3642 296.7916 -183201.4676 -149116.2173 298.5384 -134.8576 -106.1110 559375.5186 -3.4701 -3.3351 PRESSURE: 836800 -129.776 -186.099 -65.1642 -186.101 118.826 125.561 -65.1639 125.562 55.6359 GPRESSURE: 836800 -110.456 -203.824 7.13018 -175.428 157.19 123.951 -136.062 148.247 88.5521 PRESSAVG: 836800 -11.0235 -11.9006 42.2031 -11.9007 -3.21247 -1.98369 42.2031 -1.98372 49.5992 GPRESSAVG: 836800 -13.3826 -11.4253 41.8415 -10.4499 -2.53483 -3.21935 42.331 -2.16746 51.0959 TIMING: 836800 CPU: 2480.9, 0.00297468/step Wall: 2480.9, 0.00297468/step, 3.44005 hours remaining, 208.117188 MB of memory in use. ENERGY: 836800 742.5656 2070.8744 1928.2392 114.7132 -206196.3723 17823.9536 0.0000 0.0000 34143.1449 -149372.8814 298.1806 -183516.0263 -149273.7600 298.3685 14.8954 45.0956 558006.8531 11.7877 11.7261 PRESSURE: 837000 -220.26 72.4269 -267.405 72.427 77.3371 -131.019 -267.406 -131.019 70.3637 GPRESSURE: 837000 -170.948 35.5591 -291.507 101.299 103.094 -55.4598 -202.417 -131.997 86.2506 PRESSAVG: 837000 -45.4753 41.4607 -48.6653 41.4607 9.14422 -28.4054 -48.6654 -28.4055 9.99969 GPRESSAVG: 837000 -43.4816 40.0728 -50.1618 42.0176 7.04495 -26.5444 -48.6606 -29.7912 9.74822 TIMING: 837000 CPU: 2481.49, 0.00294508/step Wall: 2481.49, 0.00294508/step, 3.40566 hours remaining, 208.117188 MB of memory in use. ENERGY: 837000 734.1869 2093.9894 1957.7870 115.9873 -206171.5937 17869.7829 0.0000 0.0000 34176.8414 -149223.0188 298.4749 -183399.8602 -149129.1251 298.5529 -24.1865 6.1320 559259.8626 -8.7771 -8.8962 PRESSURE: 837200 6.19144 -21.472 -73.8261 -21.4725 -81.7745 -16.3108 -73.8261 -16.3108 -58.9921 GPRESSURE: 837200 32.8212 -91.566 -90.8175 36.7206 -6.25796 -5.89928 -35.5022 26.5279 -64.3519 PRESSAVG: 837200 40.1707 -7.03029 -1.56296 -7.03038 45.5911 -19.0334 -1.56295 -19.0335 -27.3382 GPRESSAVG: 837200 38.8785 -7.57327 0.902062 -7.90232 46.0401 -18.0871 -4.14583 -18.8418 -27.1628 TIMING: 837200 CPU: 2482.09, 0.00298592/step Wall: 2482.09, 0.00298592/step, 3.45271 hours remaining, 208.117188 MB of memory in use. ENERGY: 837200 787.5684 2094.1323 1949.5679 127.8598 -206178.3087 17809.6340 0.0000 0.0000 34274.5280 -149135.0183 299.3280 -183409.5463 -149044.4610 299.2182 -44.8584 -12.5962 556714.1195 19.4746 19.2520 PRESSURE: 837400 -75.3043 -54.7284 -128.759 -54.7271 -149.381 -10.9029 -128.759 -10.9019 142.849 GPRESSURE: 837400 -6.01111 -73.1513 -43.9172 -124.162 -130.595 6.60066 -151.818 -75.9367 151.949 PRESSAVG: 837400 -21.3608 -54.994 -22.086 -54.994 -49.1391 10.8824 -22.086 10.8823 33.5836 GPRESSAVG: 837400 -20.5295 -53.7852 -22.8257 -55.3136 -48.9163 8.49369 -18.3448 11.5846 32.6618 TIMING: 837400 CPU: 2482.68, 0.00296493/step Wall: 2482.68, 0.00296493/step, 3.42828 hours remaining, 208.117188 MB of memory in use. ENERGY: 837400 770.4214 2094.9440 1956.6045 126.1662 -205849.5376 17691.1896 0.0000 0.0000 34011.1888 -149199.0232 297.0282 -183210.2119 -149111.2286 298.8082 -27.2786 5.1143 558251.8928 -12.3054 -12.2613 PRESSURE: 837600 -121.028 120.793 48.1367 120.792 -166.456 -35.2924 48.1375 -35.2951 -118.791 GPRESSURE: 837600 -99.8401 170.992 82.622 135.194 -169.725 -18.2241 44.3543 -101.727 -40.2603 PRESSAVG: 837600 -14.2268 -12.943 -81.7987 -12.943 -43.1605 -11.4858 -81.7987 -11.4858 92.5733 GPRESSAVG: 837600 -14.3931 -12.7817 -81.7879 -12.5876 -42.5791 -10.2386 -85.1913 -10.7727 92.2234 TIMING: 837600 CPU: 2483.28, 0.00298014/step Wall: 2483.28, 0.00298014/step, 3.44571 hours remaining, 208.117188 MB of memory in use. ENERGY: 837600 788.9183 2120.3585 1944.2966 136.1177 -206282.5785 17850.2621 0.0000 0.0000 34242.9892 -149199.6360 299.0525 -183442.6253 -149107.2112 298.7883 -135.4247 -103.2753 558243.4912 11.7287 11.7504 PRESSURE: 837800 41.9048 -23.8272 -144.703 -23.8277 -134.736 74.8599 -144.703 74.8587 -56.7436 GPRESSURE: 837800 20.4128 -116.314 -205.209 53.5489 -65.5866 82.2181 -116.055 104.004 4.05553 PRESSAVG: 837800 -65.6762 20.3426 -30.7995 20.3425 26.13 15.6169 -30.7993 15.617 23.5706 GPRESSAVG: 837800 -65.6396 20.2095 -31.38 19.3125 25.8018 14.3839 -28.5657 14.7612 23.5695 TIMING: 837800 CPU: 2483.87, 0.00295771/step Wall: 2483.87, 0.00295771/step, 3.4196 hours remaining, 208.117188 MB of memory in use. ENERGY: 837800 780.4002 2170.5938 1949.9261 118.8330 -206154.7545 17692.6960 0.0000 0.0000 34239.3777 -149202.9277 299.0210 -183442.3053 -149111.1624 299.3622 -49.8581 -13.7061 558947.1410 -5.3252 -5.4228 PRESSURE: 838000 -316.557 -19.5263 114.936 -19.5265 -458.881 -107.249 114.936 -107.248 13.0168 GPRESSURE: 838000 -272.359 33.5636 81.8929 45.3207 -441.216 -65.6233 110.096 -65.1168 48.6469 PRESSAVG: 838000 13.7489 17.4948 -33.0266 17.4948 -83.2422 18.7291 -33.0265 18.729 53.7326 GPRESSAVG: 838000 12.1554 19.3019 -33.9992 18.0926 -81.8505 19.7457 -34.0491 18.9459 54.0413 TIMING: 838000 CPU: 2484.46, 0.00296779/step Wall: 2484.46, 0.00296779/step, 3.43109 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: 838000 768.4338 2064.3269 1965.1212 115.0844 -205955.8191 17524.2962 0.0000 0.0000 34302.9789 -149215.5777 299.5764 -183518.5566 -149117.6267 299.6020 -254.1403 -221.6426 558431.3489 -5.2535 -5.2179 PRESSURE: 838200 52.6975 -133.312 80.2708 -133.313 65.3772 195.881 80.2707 195.881 -151.241 GPRESSURE: 838200 41.9067 -135.35 78.2685 -155.993 89.9794 116.512 26.2343 171.532 -69.6812 PRESSAVG: 838200 17.2946 -1.30253 -21.5965 -1.30254 -5.97113 -14.5612 -21.5964 -14.5612 29.5967 GPRESSAVG: 838200 19.6141 -4.20023 -18.4027 -1.53856 -8.38772 -14.2021 -22.3691 -15.0253 29.5272 TIMING: 838200 CPU: 2485.06, 0.00300219/step Wall: 2485.06, 0.00300219/step, 3.4707 hours remaining, 208.117188 MB of memory in use. ENERGY: 838200 761.2461 2122.2405 1986.5972 101.6875 -206278.9998 17716.9627 0.0000 0.0000 34212.1688 -149378.0971 298.7834 -183590.2658 -149280.8363 299.0150 -11.0554 20.7349 556280.9931 13.6401 13.5846 PRESSURE: 838400 244.177 62.773 -71.0386 62.7732 236.081 -89.0881 -71.0388 -89.0872 -84.4558 GPRESSURE: 838400 303.065 113.717 -22.8201 -21.4519 259.007 -85.6183 -92.4079 -89.8435 -72.1286 PRESSAVG: 838400 78.1987 24.7981 9.88246 24.798 -71.0074 -23.3676 9.88248 -23.3676 -27.3383 GPRESSAVG: 838400 76.8612 25.5498 5.40363 25.0365 -70.6664 -23.375 11.9204 -23.4763 -26.6155 TIMING: 838400 CPU: 2485.66, 0.00296916/step Wall: 2485.66, 0.00296916/step, 3.43235 hours remaining, 208.117188 MB of memory in use. ENERGY: 838400 701.4163 2123.1393 1964.8687 111.8220 -206207.2149 17913.8647 0.0000 0.0000 34139.2632 -149252.8407 298.1467 -183392.1039 -149161.2592 298.9035 131.9343 163.3148 556222.9362 -6.7157 -6.8069 PRESSURE: 838600 -60.3859 -66.9123 150.501 -66.9122 -49.414 71.264 150.503 71.2642 -188.367 GPRESSURE: 838600 4.10442 -97.2426 106.725 -1.62982 -26.9556 67.6538 163.774 57.8888 -178.99 PRESSAVG: 838600 11.1876 -68.8156 11.5358 -68.8156 -78.4274 6.99596 11.5358 6.99596 12.8351 GPRESSAVG: 838600 10.621 -67.0224 15.7567 -69.8433 -77.6776 5.72942 10.057 7.8833 12.5353 TIMING: 838600 CPU: 2486.25, 0.00297671/step Wall: 2486.25, 0.00297671/step, 3.44091 hours remaining, 208.117188 MB of memory in use. ENERGY: 838600 758.5352 2100.3707 1956.8163 100.0658 -206207.1149 17730.7804 0.0000 0.0000 34246.5841 -149313.9623 299.0839 -183560.5465 -149214.2689 298.4828 -99.3889 -67.2805 557292.0965 -18.1349 -18.1738 PRESSURE: 838800 7.33562 -51.5192 220.042 -51.5195 7.48942 -104.928 220.043 -104.926 -137.235 GPRESSURE: 838800 35.442 -13.2879 125.259 -71.1015 9.20717 -10.1438 226.541 -206.38 -86.9261 PRESSAVG: 838800 -2.79503 15.9702 31.1658 15.9703 11.297 13.7359 31.1658 13.736 -5.58558 GPRESSAVG: 838800 -3.38338 13.9357 29.1877 16.087 9.85748 14.6717 30.3871 12.9235 -3.86875 TIMING: 838800 CPU: 2486.85, 0.0029673/step Wall: 2486.85, 0.0029673/step, 3.42987 hours remaining, 208.117188 MB of memory in use. ENERGY: 838800 736.1963 2094.9243 1950.8464 114.2645 -206418.7505 17797.0543 0.0000 0.0000 34398.2995 -149327.1653 300.4089 -183725.4648 -149223.1298 298.8244 -40.8032 -14.0923 557248.1950 0.9721 0.8684 PRESSURE: 839000 -159.016 -19.1372 -86.2999 -19.138 -123.092 137.32 -86.3 137.32 -44.5032 GPRESSURE: 839000 -187.432 -48.7564 -67.8399 9.02973 -39.3421 118.371 -132.936 134.438 13.0075 PRESSAVG: 839000 -29.3485 1.02189 -2.18871 1.02178 -18.4724 18.4269 -2.18867 18.4269 26.9322 GPRESSAVG: 839000 -29.5237 0.708351 -2.98427 2.75815 -17.1862 20.2031 0.604115 19.0344 25.0752 TIMING: 839000 CPU: 2487.44, 0.00297745/step Wall: 2487.44, 0.00297745/step, 3.44144 hours remaining, 208.117188 MB of memory in use. ENERGY: 839000 774.4613 2092.8635 1961.8533 116.2319 -206247.5773 17667.5770 0.0000 0.0000 34197.2158 -149437.3745 298.6528 -183634.5903 -149344.2636 299.1899 -108.8706 -71.2556 557831.3420 -6.9629 -7.2116 PRESSURE: 839200 -192.063 -5.71869 -54.9127 -5.71923 -169.804 167.329 -54.9113 167.33 -298.213 GPRESSURE: 839200 -203.499 18.1875 54.6221 53.4866 -101.953 206.033 -96.234 191.144 -262.341 PRESSAVG: 839200 -6.93512 14.7316 -55.287 14.7317 17.5888 13.0959 -55.287 13.0959 0.919233 GPRESSAVG: 839200 -6.1309 15.8793 -53.5869 14.4001 16.839 9.93488 -56.9111 13.2053 0.756817 TIMING: 839200 CPU: 2488.04, 0.00298447/step Wall: 2488.04, 0.00298447/step, 3.44939 hours remaining, 208.117188 MB of memory in use. ENERGY: 839200 768.8489 2136.7711 1919.3273 118.0969 -205939.0881 17487.1315 0.0000 0.0000 34042.6202 -149466.2921 297.3027 -183508.9124 -149377.0702 298.1534 -220.0265 -189.2643 557632.3949 3.8576 3.8216 PRESSURE: 839400 23.2839 57.8473 26.4988 57.8483 151.195 14.6021 26.4984 14.6026 201.398 GPRESSURE: 839400 53.0382 140.065 -102.348 -5.59986 255.641 -55.2369 70.3762 50.1757 170.315 PRESSAVG: 839400 -10.3699 12.1107 2.20725 12.1108 -11.1863 22.7445 2.20721 22.7445 7.66976 GPRESSAVG: 839400 -10.6588 12.1557 2.11623 11.9326 -10.6994 23.4884 2.71313 21.8248 7.73655 TIMING: 839400 CPU: 2488.63, 0.00296791/step Wall: 2488.63, 0.00296791/step, 3.43008 hours remaining, 208.117188 MB of memory in use. ENERGY: 839400 731.8269 2104.0565 1954.9389 108.3079 -206896.2743 18157.6388 0.0000 0.0000 34253.8640 -149585.6412 299.1475 -183839.5052 -149487.1433 298.6391 125.2926 159.6646 555439.8829 -4.6288 -4.5406 PRESSURE: 839600 35.1361 137.7 -22.7457 137.7 -53.178 65.4144 -22.7467 65.4154 -189.89 GPRESSURE: 839600 50.5365 168.224 55.446 123.721 -62.18 125.379 -9.67446 49.8094 -113.227 PRESSAVG: 839600 34.4974 -49.5616 2.58122 -49.5617 -40.2471 3.52591 2.5812 3.52591 -0.752212 GPRESSAVG: 839600 34.3618 -49.8656 3.16129 -51.1325 -40.3496 3.16253 2.91748 3.76991 -0.324606 TIMING: 839600 CPU: 2489.23, 0.0029846/step Wall: 2489.23, 0.0029846/step, 3.44921 hours remaining, 208.117188 MB of memory in use. ENERGY: 839600 720.4930 2075.8738 1961.1761 115.7370 -206185.8379 17823.2321 0.0000 0.0000 33990.8832 -149498.4426 296.8508 -183489.3259 -149401.6352 297.7561 -69.3108 -41.6234 558966.4159 -2.1673 -2.1041 PRESSURE: 839800 -236.821 61.5353 127.646 61.5352 -312.575 -66.4041 127.646 -66.4032 -132.345 GPRESSURE: 839800 -173.786 47.35 116.27 30.8148 -308.375 -110.609 56.4543 -3.57096 -97.8923 PRESSAVG: 839800 -103.439 8.11088 6.39127 8.11084 -44.698 16.8127 6.39125 16.8128 96.1898 GPRESSAVG: 839800 -104.107 9.80306 8.09266 7.9741 -44.2069 15.7035 5.25651 17.9873 96.9327 TIMING: 839800 CPU: 2489.83, 0.00298581/step Wall: 2489.83, 0.00298581/step, 3.45043 hours remaining, 208.117188 MB of memory in use. ENERGY: 839800 744.1862 2067.1505 1958.3707 96.4019 -206097.0690 17606.3541 0.0000 0.0000 34093.9097 -149530.6959 297.7506 -183624.6056 -149435.1135 298.0399 -227.2472 -193.3511 558254.5334 -17.3156 -17.1269 PRESSURE: 840000 -208.939 -70.4912 97.1475 -70.4902 -116.231 -127.005 97.1465 -127.006 -305.077 GPRESSURE: 840000 -178.828 -142.319 90.368 -42.6623 -94.0158 -88.9763 143.656 -215.365 -267.62 PRESSAVG: 840000 -32.5817 0.143429 8.92866 0.143417 59.6441 25.9694 8.92867 25.9694 -36.9552 GPRESSAVG: 840000 -31.9228 -2.10909 7.55726 0.89072 58.6957 28.7943 8.6422 22.9758 -36.4679 TIMING: 840000 CPU: 2490.42, 0.00297231/step Wall: 2490.42, 0.00297231/step, 3.43467 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: 840000 770.7483 2027.0738 1952.2253 115.2368 -206220.0455 17641.9802 0.0000 0.0000 34251.6756 -149461.1055 299.1284 -183712.7811 -149359.1203 298.8659 -210.0823 -180.1546 558638.5152 -3.2976 -3.2317 PRESSURE: 840200 -180.724 51.3336 113.935 51.334 -196.032 -15.829 113.936 -15.829 -301.341 GPRESSURE: 840200 -119.449 2.57018 118.408 38.616 -203.87 91.3645 104.293 -50.1599 -263.078 PRESSAVG: 840200 -29.5179 -36.193 -5.01302 -36.1929 80.6962 57.4361 -5.01308 57.436 -9.21429 GPRESSAVG: 840200 -28.1743 -34.9031 -4.19048 -39.2336 80.1226 56.1297 -6.55871 57.8485 -9.72194 TIMING: 840200 CPU: 2491.01, 0.00296862/step Wall: 2491.01, 0.00296862/step, 3.43025 hours remaining, 208.117188 MB of memory in use. ENERGY: 840200 712.6355 2075.6142 1947.7137 112.6549 -206032.1729 17492.0075 0.0000 0.0000 34326.7229 -149364.8242 299.7838 -183691.5471 -149262.6340 299.2102 -226.0327 -195.4656 558507.1869 13.9880 14.0755 LDB: ============= START OF LOAD BALANCING ============== 2494.44 LDB: ============== END OF LOAD BALANCING =============== 2494.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2494.44 LDB: ============= START OF LOAD BALANCING ============== 2494.74 LDB: Largest compute 4820 load 0.031570 is 26.8% of average load 0.117854 LDB: Average compute 0.001733 is 1.5% of average load 0.117854 LDB: TIME 2494.75 LOAD: AVG 0.117854 MAX 0.197774 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.828 MB LDB: TIME 2494.75 LOAD: AVG 0.117854 MAX 0.197774 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.828 MB LDB: TIME 2494.75 LOAD: AVG 0.117854 MAX 0.197774 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.828 MB LDB: ============== END OF LOAD BALANCING =============== 2494.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2494.75 PRESSURE: 840400 44.6108 -147.289 115.076 -147.288 -266.659 -36.7905 115.076 -36.7905 -124.657 GPRESSURE: 840400 66.187 -173.847 100.112 -179.369 -247.635 -103.371 99.1791 -26.9656 -60.0786 PRESSAVG: 840400 19.6887 -82.2693 -21.8867 -82.2692 40.5886 74.3354 -21.8866 74.3354 -61.1503 GPRESSAVG: 840400 17.8472 -84.8306 -22.9117 -78.8447 41.6803 73.8033 -21.1823 76.865 -60.5898 TIMING: 840400 CPU: 2491.62, 0.00304559/step Wall: 2491.62, 0.00304559/step, 3.51901 hours remaining, 205.734375 MB of memory in use. ENERGY: 840400 767.9469 2035.2619 1992.2409 98.2297 -206263.1589 17760.8304 0.0000 0.0000 34251.7973 -149356.8519 299.1295 -183608.6491 -149262.1561 299.1781 -115.5684 -80.5088 557377.7689 -0.2910 -0.3541 PRESSURE: 840600 -280.911 -59.3489 -14.8181 -59.3481 -285.873 163.378 -14.8174 163.378 -224.553 GPRESSURE: 840600 -282.67 26.6159 14.85 -70.9309 -244.962 161.444 3.94839 105.088 -177.489 PRESSAVG: 840600 20.935 -42.0122 41.2776 -42.0122 -10.708 64.8002 41.2776 64.8002 -43.2505 GPRESSAVG: 840600 22.0232 -39.3858 40.0909 -43.0079 -11.4781 64.6412 43.6757 63.9212 -44.2871 TIMING: 840600 CPU: 2492.22, 0.00299486/step Wall: 2492.22, 0.00299486/step, 3.46023 hours remaining, 205.937500 MB of memory in use. ENERGY: 840600 743.7202 2127.3210 1993.8653 101.7123 -205720.3413 17391.1414 0.0000 0.0000 34193.3665 -149169.2146 298.6192 -183362.5811 -149084.3887 299.3355 -263.7790 -235.0403 557582.1538 -11.0078 -11.2473 PRESSURE: 840800 -66.7375 -121.236 180.546 -121.236 -11.3091 128.92 180.545 128.92 -106.797 GPRESSURE: 840800 -18.6175 -185.986 171.088 -107.479 21.8745 157.476 204.495 119.954 -80.4033 PRESSAVG: 840800 -69.117 -10.2772 -28.7855 -10.2771 105.951 77.1972 -28.7856 77.1972 -38.2394 GPRESSAVG: 840800 -69.4894 -12.0115 -28.0366 -7.29795 106.185 79.0137 -31.1308 76.008 -37.9303 TIMING: 840800 CPU: 2492.82, 0.0029843/step Wall: 2492.82, 0.0029843/step, 3.44786 hours remaining, 205.937500 MB of memory in use. ENERGY: 840800 747.4288 2121.5892 1955.1830 94.5576 -206273.8593 17766.4165 0.0000 0.0000 34255.0005 -149333.6837 299.1574 -183588.6841 -149244.4180 298.8514 -61.6145 -25.7154 558131.4459 -0.4683 -0.4117 PRESSURE: 841000 -108.065 -27.5004 -13.4605 -27.5012 -56.1067 63.1914 -13.4604 63.1919 -222.562 GPRESSURE: 841000 -103.588 -153.928 0.224083 34.1203 34.5337 70.8392 21.6333 47.5266 -232.175 PRESSAVG: 841000 -28.0128 2.49732 2.02006 2.49727 39.375 27.3175 2.01995 27.3176 -91.8834 GPRESSAVG: 841000 -28.2327 4.1841 0.781872 1.47924 39.2872 26.6166 2.71915 27.2154 -91.0888 TIMING: 841000 CPU: 2493.42, 0.00299079/step Wall: 2493.42, 0.00299079/step, 3.4552 hours remaining, 205.937500 MB of memory in use. ENERGY: 841000 715.9346 2105.4278 1981.0105 108.3242 -205763.8098 17364.1099 0.0000 0.0000 34298.6122 -149190.3907 299.5383 -183489.0029 -149097.7728 298.5062 -128.9113 -100.4099 557940.5227 -26.8404 -26.6781 PRESSURE: 841200 27.5454 181.919 -17.8159 181.92 -181.316 84.4876 -17.8149 84.4887 -270.59 GPRESSURE: 841200 5.63718 192.833 -32.4463 138.633 -132.035 232.085 39.3726 -58.2342 -207.411 PRESSAVG: 841200 61.2674 -13.286 -35.8036 -13.286 -5.61189 3.79047 -35.8036 3.7905 -38.6649 GPRESSAVG: 841200 61.0843 -13.3415 -36.6332 -13.162 -5.4368 3.28547 -33.6492 3.18344 -39.1924 TIMING: 841200 CPU: 2494.02, 0.00299812/step Wall: 2494.02, 0.00299812/step, 3.4635 hours remaining, 205.937500 MB of memory in use. ENERGY: 841200 792.9655 2132.0191 1926.2531 114.2288 -205981.8520 17624.6110 0.0000 0.0000 34196.1396 -149195.6348 298.6434 -183391.7745 -149108.8744 299.2766 -141.4536 -111.2697 559283.4638 5.6635 5.4850 PRESSURE: 841400 -46.8958 -41.7844 36.1653 -41.7863 -166 41.4161 36.1646 41.4161 150.839 GPRESSURE: 841400 -5.24509 -105.675 -34.5837 -22.7167 -115.951 -49.8315 17.027 72.6748 150.91 PRESSAVG: 841400 3.00117 57.2146 29.7019 57.2146 -64.5364 1.26765 29.7019 1.26768 28.8316 GPRESSAVG: 841400 1.42364 56.0019 33.0377 55.4973 -63.1368 0.632956 26.1186 2.5734 29.2313 TIMING: 841400 CPU: 2494.61, 0.00296624/step Wall: 2494.61, 0.00296624/step, 3.4265 hours remaining, 205.937500 MB of memory in use. ENERGY: 841400 759.6373 2082.7767 1941.2732 119.2131 -206604.6824 18095.1367 0.0000 0.0000 34349.6923 -149256.9530 299.9844 -183606.6453 -149151.1642 299.9928 -20.6855 9.9045 558669.9504 -10.9012 -10.8273 PRESSURE: 841600 76.5918 -35.3019 -141.05 -35.3028 84.8192 251.859 -141.05 251.859 -193.317 GPRESSURE: 841600 111.427 24.6099 -7.58355 -42.1467 140.813 269.17 -165.496 268.942 -194.185 PRESSAVG: 841600 3.46512 -8.50459 40.6385 -8.50458 1.80281 35.1748 40.6384 35.1749 -21.603 GPRESSAVG: 841600 4.5468 -7.94366 40.4307 -9.06089 0.727195 36.4341 41.8363 34.8046 -22.0278 TIMING: 841600 CPU: 2495.2, 0.00297465/step Wall: 2495.2, 0.00297465/step, 3.43605 hours remaining, 205.937500 MB of memory in use. ENERGY: 841600 736.7202 2099.7563 1949.9823 105.1681 -206408.4926 17927.0791 0.0000 0.0000 34100.4658 -149489.3209 297.8078 -183589.7867 -149389.3232 298.2576 -10.6355 19.3518 558066.3574 -5.4450 -5.5846 PRESSURE: 841800 -141.056 -40.7936 2.18339 -40.7939 -51.2689 224.187 2.18501 224.187 -125.235 GPRESSURE: 841800 -153.387 -46.5326 -64.1201 -31.3419 -18.6076 196.549 47.267 334.883 -43.2733 PRESSAVG: 841800 73.6094 17.8049 6.0598 17.8048 30.5215 59.4872 6.05988 59.4872 -98.5949 GPRESSAVG: 841800 73.655 19.9115 4.65232 19.18 30.0925 60.0686 7.58143 60.6016 -97.8631 TIMING: 841800 CPU: 2495.8, 0.00297681/step Wall: 2495.8, 0.00297681/step, 3.43838 hours remaining, 205.937500 MB of memory in use. ENERGY: 841800 743.2500 2080.9410 1926.0265 106.4667 -205991.7178 17751.3473 0.0000 0.0000 33959.9244 -149423.7617 296.5805 -183383.6861 -149325.2587 297.9141 -105.8534 -71.7560 558619.5042 1.8454 1.9615 PRESSURE: 842000 -108.324 1.04713 -133.955 1.04814 -184.815 -66.163 -133.955 -66.1623 47.4174 GPRESSURE: 842000 -64.2461 25.3227 -216.516 64.2757 -142.127 -88.5353 -111.486 -59.5188 61.6093 PRESSAVG: 842000 -22.7232 -34.766 -69.4279 -34.7661 -38.2539 61.3257 -69.428 61.3257 20.2442 GPRESSAVG: 842000 -23.0296 -36.1131 -68.8457 -35.8941 -37.1718 60.9771 -68.6022 59.4277 19.3079 TIMING: 842000 CPU: 2496.39, 0.00295598/step Wall: 2496.39, 0.00295598/step, 3.41416 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: 842000 770.3986 2110.0771 1939.5475 108.7802 -206345.7138 17802.4506 0.0000 0.0000 34117.6883 -149496.7715 297.9583 -183614.4598 -149404.5558 298.3507 -81.9073 -48.2546 558046.6699 -13.5776 -13.6312 PRESSURE: 842200 -66.3324 46.4921 -55.3241 46.4929 -188.059 171.908 -55.3251 171.908 137.171 GPRESSURE: 842200 -67.7319 -8.74515 -107.561 32.1755 -99.2309 233.221 -41.2603 115.206 158.957 PRESSAVG: 842200 -87.4347 54.5183 -40.5199 54.5184 23.8801 4.71827 -40.5199 4.71821 28.9005 GPRESSAVG: 842200 -86.8819 55.1818 -41.1097 53.5259 23.7134 3.90776 -41.9593 3.42051 28.0712 TIMING: 842200 CPU: 2496.98, 0.00295454/step Wall: 2496.98, 0.00295454/step, 3.41233 hours remaining, 205.937500 MB of memory in use. ENERGY: 842200 781.8086 2117.3802 1918.2264 111.8757 -206313.4322 17735.1920 0.0000 0.0000 34145.6637 -149503.2856 298.2026 -183648.9493 -149409.6637 297.6438 -39.0733 -2.6686 557536.4904 -11.5514 -11.6991 PRESSURE: 842400 -176.779 254.893 80.5619 254.892 -46.5445 18.2579 80.5616 18.2573 -133.069 GPRESSURE: 842400 -74.1785 261.473 158.95 250.393 -11.9223 32.1129 -13.6881 -17.8297 -166.432 PRESSAVG: 842400 11.7341 -20.5468 -26.5018 -20.5469 -28.6984 81.893 -26.5018 81.8929 40.8027 GPRESSAVG: 842400 11.711 -20.8541 -27.0069 -18.3296 -30.7214 83.1308 -26.4949 83.6929 43.0445 TIMING: 842400 CPU: 2497.58, 0.00297796/step Wall: 2497.58, 0.00297796/step, 3.43921 hours remaining, 205.937500 MB of memory in use. ENERGY: 842400 745.2776 2101.5797 1952.0550 119.8778 -205840.8078 17516.5641 0.0000 0.0000 34133.4092 -149272.0444 298.0956 -183405.4537 -149184.1240 297.5345 -118.7974 -84.1775 558535.2263 7.9461 8.0114 PRESSURE: 842600 -427.029 45.5681 -174.007 45.5673 33.9181 -62.5146 -174.007 -62.5137 100.021 GPRESSURE: 842600 -367.968 41.613 -212.237 46.0976 32.1753 33.0436 -205.019 -210.833 149.921 PRESSAVG: 842600 0.773081 27.9612 -77.6805 27.9612 -19.6119 41.6004 -77.6806 41.6005 16.7094 GPRESSAVG: 842600 1.71854 27.5635 -76.1885 26.9398 -18.9695 40.2033 -77.8936 41.0791 14.5071 TIMING: 842600 CPU: 2498.17, 0.00295804/step Wall: 2498.17, 0.00295804/step, 3.41604 hours remaining, 205.937500 MB of memory in use. ENERGY: 842600 746.5186 2095.1115 1944.3564 92.7777 -206190.8047 17945.3078 0.0000 0.0000 34236.0170 -149130.7156 298.9917 -183366.7326 -149035.3903 299.0617 -97.6967 -61.9572 558015.5330 -0.7098 -0.9146 PRESSURE: 842800 215.064 15.0047 -3.15107 15.0052 594.922 -140.853 -3.15094 -140.853 49.1242 GPRESSURE: 842800 261.138 7.60214 91.9934 66.633 608.352 -162.099 7.15304 -94.366 89.6753 PRESSAVG: 842800 -45.1567 30.5566 5.14046 30.5566 34.9172 -3.14477 5.14046 -3.14481 30.7389 GPRESSAVG: 842800 -46.558 30.611 2.89571 30.0158 35.0829 -3.11407 6.60133 -2.48908 31.8225 TIMING: 842800 CPU: 2498.76, 0.00296878/step Wall: 2498.76, 0.00296878/step, 3.42828 hours remaining, 205.937500 MB of memory in use. ENERGY: 842800 735.3047 2085.6214 1921.9899 109.9337 -206548.0616 18387.2246 0.0000 0.0000 34183.8809 -149124.1065 298.5363 -183307.9874 -149022.2411 299.0662 286.3699 319.7216 557830.0235 6.8331 6.7824 PRESSURE: 843000 -102.309 61.8165 121.556 61.8171 -294.134 20.9497 121.555 20.95 63.7349 GPRESSURE: 843000 -52.4475 118.435 82.9812 90.4099 -299.968 54.2423 16.9401 28.3929 131.268 PRESSAVG: 843000 -11.0779 26.8597 10.2391 26.8596 27.9449 -8.4704 10.2392 -8.47043 9.63701 GPRESSAVG: 843000 -11.0899 26.4705 10.5765 26.282 28.1345 -7.90118 8.77658 -9.80945 10.4705 TIMING: 843000 CPU: 2499.36, 0.00297084/step Wall: 2499.36, 0.00297084/step, 3.43049 hours remaining, 205.937500 MB of memory in use. ENERGY: 843000 705.8233 2032.5381 1928.8954 113.1520 -205803.3618 17611.1260 0.0000 0.0000 34161.7119 -149250.1152 298.3427 -183411.8271 -149156.6414 299.0193 -110.9029 -73.7159 558524.8456 8.8346 9.1717 PRESSURE: 843200 -178.353 8.94694 63.2454 8.94615 -66.3279 136.612 63.245 136.612 -9.55621 GPRESSURE: 843200 -173.206 -69.973 -23.116 18.94 -19.7614 65.5904 123.215 195.118 36.5463 PRESSAVG: 843200 -17.5007 -18.1064 37.699 -18.1065 -58.0385 53.9769 37.6991 53.9768 39.6132 GPRESSAVG: 843200 -17.2345 -18.4068 39.7086 -15.9146 -57.644 56.3835 36.77 54.45 38.7581 TIMING: 843200 CPU: 2499.95, 0.00298353/step Wall: 2499.95, 0.00298353/step, 3.44498 hours remaining, 205.937500 MB of memory in use. ENERGY: 843200 756.7182 2041.3210 1958.6192 101.7983 -206193.3026 17865.6237 0.0000 0.0000 34306.5402 -149162.6821 299.6075 -183469.2223 -149063.5453 298.1597 -84.7457 -52.1403 557657.4291 -11.9753 -12.0402 PRESSURE: 843400 -52.48 -232.606 -85.741 -232.605 -16.0413 -13.3965 -85.7407 -13.3972 -65.8152 GPRESSURE: 843400 -27.7501 -264.987 -44.0834 -213.788 -20.3938 -58.6895 -62.0924 17.2444 18.1905 PRESSAVG: 843400 6.4239 -37.2607 -30.2221 -37.2606 -38.3535 -19.1597 -30.222 -19.1596 30.895 GPRESSAVG: 843400 7.29804 -39.4665 -30.5246 -36.1134 -38.7179 -22.8041 -28.8669 -18.5581 30.496 TIMING: 843400 CPU: 2500.55, 0.00296611/step Wall: 2500.55, 0.00296611/step, 3.4247 hours remaining, 205.937500 MB of memory in use. ENERGY: 843400 774.7563 2072.9909 1950.8306 112.4530 -205814.1014 17633.4659 0.0000 0.0000 34241.5133 -149028.0914 299.0397 -183269.6046 -148931.7458 299.1177 -44.7789 -9.9845 557281.5846 -0.3449 -0.3079 PRESSURE: 843600 80.56 43.5009 -0.85652 43.5004 -365.568 -115.229 -0.856417 -115.23 -182.934 GPRESSURE: 843600 129.661 92.6101 59.7635 71.0785 -324.43 -124.761 0.994567 -73.9862 -179.567 PRESSAVG: 843600 1.16661 -47.7383 5.87171 -47.7384 -49.4037 -11.1267 5.87171 -11.1267 -17.9342 GPRESSAVG: 843600 1.19088 -46.3202 3.46956 -50.6439 -49.02 -9.86631 6.04037 -10.6954 -18.2778 TIMING: 843600 CPU: 2501.14, 0.0029537/step Wall: 2501.14, 0.0029537/step, 3.41021 hours remaining, 205.937500 MB of memory in use. ENERGY: 843600 750.2453 2087.6126 1956.0026 111.4456 -205853.4814 17663.6095 0.0000 0.0000 34209.4347 -149075.1311 298.7595 -183284.5658 -148979.6011 299.1488 -155.9806 -124.7790 558188.9214 -22.0571 -22.0356 PRESSURE: 843800 -158.602 27.5628 1.02441 27.5632 -119.718 -107.975 1.0255 -107.974 -162.142 GPRESSURE: 843800 -161.96 -41.88 -9.46921 -5.45101 -86.5089 8.77216 23.3746 -130.459 -100.319 PRESSAVG: 843800 47.8587 -2.87597 6.76512 -2.87596 -86.3074 4.6376 6.76505 4.63739 44.4294 GPRESSAVG: 843800 47.2227 -1.07991 7.74016 -3.20358 -86.5077 6.31477 5.31464 3.72919 45.5009 TIMING: 843800 CPU: 2501.73, 0.00296617/step Wall: 2501.73, 0.00296617/step, 3.42444 hours remaining, 205.937500 MB of memory in use. ENERGY: 843800 727.4117 2093.1474 1966.0959 109.4387 -205671.9829 17430.8601 0.0000 0.0000 34358.0245 -148987.0047 300.0572 -183345.0291 -148891.6268 299.1743 -146.8207 -116.2625 558024.5819 1.9936 2.0719 PRESSURE: 844000 -9.47309 141.607 39.0934 141.606 -329.743 15.4697 39.0928 15.4692 -114.904 GPRESSURE: 844000 28.6028 164.043 22.7466 181.748 -324.291 36.2614 54.4107 -12.014 -70.5877 PRESSAVG: 844000 -44.1962 23.6526 4.95514 23.6525 -15.6492 1.36727 4.95521 1.36724 99.0313 GPRESSAVG: 844000 -44.3489 21.4013 3.21227 25.9873 -15.3061 1.90545 5.81496 0.333964 98.9587 TIMING: 844000 CPU: 2502.33, 0.00298162/step Wall: 2502.33, 0.00298162/step, 3.44211 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: 844000 786.7096 2122.4808 1961.5644 125.2824 -205692.4839 17532.5638 0.0000 0.0000 34170.7123 -148993.1705 298.4213 -183163.8829 -148900.2661 300.1466 -151.3734 -122.0921 557442.5806 13.0620 13.1012 PRESSURE: 844200 144.488 -2.4044 -64.7369 -2.40539 -81.8503 11.2918 -64.738 11.2904 -393.815 GPRESSURE: 844200 171.982 6.43995 -63.3945 -32.6401 -75.2896 47.0201 -39.3587 -2.64562 -316.755 PRESSAVG: 844200 37.7857 38.2973 28.2285 38.2972 -70.4207 1.79178 28.2286 1.7918 5.73423 GPRESSAVG: 844200 36.2791 39.2259 29.5275 37.2393 -70.1023 0.448237 28.5808 2.55893 7.2373 TIMING: 844200 CPU: 2502.92, 0.00296428/step Wall: 2502.92, 0.00296428/step, 3.42193 hours remaining, 205.937500 MB of memory in use. ENERGY: 844200 752.2996 2097.5396 1969.2135 114.0997 -206001.7632 17728.2577 0.0000 0.0000 34488.3073 -148852.0458 301.1950 -183340.3531 -148764.8065 299.9456 -110.3924 -73.3543 557977.7232 -8.9669 -8.8620 LDB: ============= START OF LOAD BALANCING ============== 2506.35 LDB: ============== END OF LOAD BALANCING =============== 2506.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2506.35 LDB: ============= START OF LOAD BALANCING ============== 2506.65 LDB: Largest compute 4848 load 0.031575 is 26.8% of average load 0.117853 LDB: Average compute 0.001729 is 1.5% of average load 0.117853 LDB: TIME 2506.65 LOAD: AVG 0.117853 MAX 0.199082 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 2506.65 LOAD: AVG 0.117853 MAX 0.199082 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.734 MB LDB: TIME 2506.65 LOAD: AVG 0.117853 MAX 0.199082 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.734 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2506.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2506.66 PRESSURE: 844400 -230.286 4.52427 10.5976 4.52508 25.9966 -120.289 10.5976 -120.287 -28.0368 GPRESSURE: 844400 -153.828 75.2416 2.83974 47.2552 17.5716 -122.705 -59.6474 -96.5908 -0.353807 PRESSAVG: 844400 -13.094 26.6356 4.12316 26.6357 -48.1744 14.8482 4.12318 14.8481 76.1209 GPRESSAVG: 844400 -11.9477 27.8208 4.85851 27.2383 -48.0295 16.6468 3.64127 14.3783 74.912 TIMING: 844400 CPU: 2503.53, 0.00305342/step Wall: 2503.53, 0.00305342/step, 3.52466 hours remaining, 206.503906 MB of memory in use. ENERGY: 844400 710.3813 2070.2910 1976.1082 108.8580 -205537.6432 17606.9203 0.0000 0.0000 34162.6291 -148902.4554 298.3507 -183065.0844 -148807.2887 300.5313 -77.4421 -45.5367 557474.1107 4.9508 4.9783 PRESSURE: 844600 325.511 -69.1201 -68.1624 -69.12 -20.8954 -79.1986 -68.1626 -79.1974 360.184 GPRESSURE: 844600 349.323 -86.1352 -72.8776 -57.0056 12.1496 -113.501 -82.4442 -70.1921 400.45 PRESSAVG: 844600 16.1702 -14.8338 -34.4465 -14.8338 -54.5343 -32.586 -34.4464 -32.586 48.0738 GPRESSAVG: 844600 15.6396 -16.4611 -33.2634 -14.7362 -54.4825 -33.1566 -34.6231 -32.0674 48.2096 TIMING: 844600 CPU: 2504.12, 0.00296606/step Wall: 2504.12, 0.00296606/step, 3.42366 hours remaining, 206.707031 MB of memory in use. ENERGY: 844600 717.3319 2095.1529 1968.5623 120.5957 -206210.0239 17963.8029 0.0000 0.0000 34643.5943 -148700.9838 302.5511 -183344.5782 -148601.4291 300.4987 221.5998 253.9739 556074.5466 3.2365 3.1222 PRESSURE: 844800 -5.39549 -17.591 -149.323 -17.5911 50.0482 -39.5397 -149.323 -39.5399 -168.22 GPRESSURE: 844800 46.1025 47.7891 -253.779 13.6094 56.5328 -59.0889 -62.8622 -28.8495 -135.711 PRESSAVG: 844800 9.51893 -15.3883 13.5668 -15.3883 16.0105 -16.2506 13.5668 -16.2506 -15.8189 GPRESSAVG: 844800 10.9401 -14.3227 12.9481 -17.2269 14.6305 -17.386 14.2879 -15.5677 -15.6849 TIMING: 844800 CPU: 2504.72, 0.00296947/step Wall: 2504.72, 0.00296947/step, 3.42743 hours remaining, 206.707031 MB of memory in use. ENERGY: 844800 767.4272 2097.2474 1942.0596 116.3290 -205751.4641 17560.0271 0.0000 0.0000 34536.7377 -148731.6360 301.6179 -183268.3738 -148635.6175 301.2687 -41.1890 -11.0253 556081.1232 3.2368 3.2952 PRESSURE: 845000 -19.8723 -68.5741 -65.5225 -68.575 -186.761 172.743 -65.5223 172.743 -442.294 GPRESSURE: 845000 5.15962 -72.9343 -50.1249 -152.901 -156.417 176.375 -95.0336 246.614 -402.368 PRESSAVG: 845000 21.8934 20.0018 -5.77016 20.0018 52.9934 -15.1091 -5.77012 -15.1092 -62.5295 GPRESSAVG: 845000 20.7637 19.5954 -3.07552 21.9234 54.5894 -14.8573 -8.92007 -17.2729 -63.3826 TIMING: 845000 CPU: 2505.31, 0.00294948/step Wall: 2505.31, 0.00294948/step, 3.40419 hours remaining, 206.707031 MB of memory in use. ENERGY: 845000 728.8526 2156.0988 1932.9126 107.9720 -205424.5340 17282.0262 0.0000 0.0000 34566.7977 -148649.8740 301.8804 -183216.6717 -148552.7219 300.8710 -216.3090 -184.5419 557546.1564 4.1191 3.9902 PRESSURE: 845200 -74.7629 81.7034 56.5117 81.7035 -314.513 35.0121 56.512 35.0093 -55.7622 GPRESSURE: 845200 -79.8931 40.7062 30.8736 100.535 -232.441 37.1596 53.5788 34.0028 -29.0527 PRESSAVG: 845200 21.951 -18.3774 -11.8705 -18.3774 -3.18389 -15.2255 -11.8704 -15.2255 -25.9908 GPRESSAVG: 845200 22.7084 -18.0976 -16.4261 -20.9756 -5.37999 -14.5292 -8.16037 -14.0695 -25.1139 TIMING: 845200 CPU: 2505.9, 0.00295546/step Wall: 2505.9, 0.00295546/step, 3.41093 hours remaining, 206.707031 MB of memory in use. ENERGY: 845200 788.3378 2126.3574 1945.5356 111.1773 -205733.9672 17587.9391 0.0000 0.0000 34337.0792 -148837.5408 299.8743 -183174.6200 -148742.3580 300.6925 -148.3460 -113.7957 557150.5437 -2.4079 -2.5952 PRESSURE: 845400 -35.3493 47.4596 16.1506 47.4592 124.689 -16.2403 16.1509 -16.2409 -132.361 GPRESSURE: 845400 -40.5784 16.8139 45.0517 62.0901 167.214 -5.17656 6.65616 4.0519 -74.8309 PRESSAVG: 845400 15.0781 10.5758 -9.85454 10.5758 -53.4189 4.55659 -9.85463 4.5566 1.26635 GPRESSAVG: 845400 13.762 8.14189 -7.00566 12.7947 -51.8677 3.6589 -8.73173 3.87142 1.05454 TIMING: 845400 CPU: 2506.5, 0.00299664/step Wall: 2506.5, 0.00299664/step, 3.45829 hours remaining, 206.707031 MB of memory in use. ENERGY: 845400 748.4109 2084.8574 1962.6609 119.2106 -206041.5605 17734.1960 0.0000 0.0000 34445.9558 -148946.2689 300.8251 -183392.2247 -148854.2124 299.3769 -14.3404 17.2684 558849.1162 -12.3582 -12.3504 PRESSURE: 845600 33.6549 59.2205 -206.998 59.2207 169.844 -0.348909 -207 -0.347936 -135.593 GPRESSURE: 845600 52.9751 132.576 -305.239 -27.7786 239.185 11.5949 -188.518 55.8618 -126.492 PRESSAVG: 845600 -3.84563 6.39859 3.24805 6.39862 -40.3894 58.3018 3.24795 58.3019 62.2805 GPRESSAVG: 845600 -2.41985 8.18175 -0.928285 4.93879 -41.4388 59.8638 2.61473 58.7283 61.9973 TIMING: 845600 CPU: 2507.09, 0.00296527/step Wall: 2507.09, 0.00296527/step, 3.42193 hours remaining, 206.707031 MB of memory in use. ENERGY: 845600 732.2008 2158.4283 1944.8274 111.7687 -206073.4195 17807.4316 0.0000 0.0000 34297.7125 -149021.0502 299.5305 -183318.7627 -148923.9925 300.1699 22.6353 55.2225 558282.8569 6.0152 6.0462 PRESSURE: 845800 -13.158 16.4395 -193.451 16.4401 -25.6689 -149.413 -193.449 -149.412 68.8952 GPRESSURE: 845800 81.4708 -28.9193 -156.531 30.2744 -53.9504 -132.929 -230.117 -164.057 106.6 PRESSAVG: 845800 -12.9166 10.5398 -86.8421 10.5398 -11.8294 -20.2829 -86.8419 -20.283 10.042 GPRESSAVG: 845800 -12.9232 8.70144 -82.6413 9.88887 -11.4343 -18.9626 -88.7362 -21.5535 9.697 TIMING: 845800 CPU: 2507.68, 0.0029582/step Wall: 2507.68, 0.0029582/step, 3.4136 hours remaining, 206.707031 MB of memory in use. ENERGY: 845800 718.3925 2111.4659 1954.5843 111.9433 -205707.7596 17615.6371 0.0000 0.0000 34153.5160 -149042.2206 298.2711 -183195.7365 -148940.8735 299.2428 10.0228 44.7069 558284.2257 -4.9014 -4.8868 PRESSURE: 846000 -181.175 47.1007 -34.223 47.1009 -143.365 100.019 -34.2232 100.019 -93.0127 GPRESSURE: 846000 -76.9382 53.9176 -89.9363 85.7728 -128.985 123.514 -4.15419 112.701 -101.524 PRESSAVG: 846000 -42.6238 16.6134 3.1131 16.6134 19.4075 -4.9903 3.11312 -4.99039 55.946 GPRESSAVG: 846000 -42.8534 16.6811 1.38 19.5675 18.6408 -4.25175 5.14367 -6.60269 56.3498 TIMING: 846000 CPU: 2508.27, 0.00295524/step Wall: 2508.27, 0.00295524/step, 3.41002 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: 846000 676.2634 2162.5213 1917.8924 120.7107 -205657.6017 17582.8099 0.0000 0.0000 34172.8304 -149024.5736 298.4398 -183197.4040 -148930.5187 299.4577 -139.1843 -102.4826 558735.6077 10.9099 10.7124 PRESSURE: 846200 -534.635 -160.919 -1.28934 -160.919 50.9372 178.252 -1.29024 178.252 -87.2418 GPRESSURE: 846200 -500.261 -115.403 -31.8463 -150.045 142.699 191.054 63.828 115.223 -115.049 PRESSAVG: 846200 -70.1867 -31.8545 40.7917 -31.8547 95.1403 41.4796 40.7918 41.4797 6.88189 GPRESSAVG: 846200 -70.4023 -30.5157 40.5691 -33.1708 96.1199 39.9147 40.9191 42.5228 6.63205 TIMING: 846200 CPU: 2508.87, 0.00297262/step Wall: 2508.87, 0.00297262/step, 3.42991 hours remaining, 206.707031 MB of memory in use. ENERGY: 846200 754.3550 2082.8458 1926.4180 116.8242 -205941.7437 17588.2839 0.0000 0.0000 34371.7554 -149101.2612 300.1771 -183473.0167 -149000.6310 299.7532 -190.3132 -157.5369 557785.8677 10.6118 10.7832 PRESSURE: 846400 136.095 -9.0848 -59.9708 -9.08528 -5.91829 -7.31892 -59.9705 -7.31935 -274.598 GPRESSURE: 846400 184.779 25.2912 -71.2477 -22.5456 21.943 15.8008 -104.2 -63.9121 -269.781 PRESSAVG: 846400 5.01885 9.63739 -16.9334 9.63739 0.347012 -40.3516 -16.9334 -40.3517 -51.2478 GPRESSAVG: 846400 5.2052 9.20149 -16.9001 8.62265 1.43947 -42.2901 -16.2651 -38.5463 -52.2027 TIMING: 846400 CPU: 2509.46, 0.00295072/step Wall: 2509.46, 0.00295072/step, 3.40448 hours remaining, 206.707031 MB of memory in use. ENERGY: 846400 747.0179 2071.0396 1956.8991 110.5044 -205968.6863 17695.6498 0.0000 0.0000 34171.7272 -149215.8483 298.4302 -183387.5755 -149110.1105 298.9033 -48.1405 -21.0195 556491.2565 -15.2940 -15.1860 PRESSURE: 846600 -40.0803 29.596 -118.876 29.5964 55.9372 186.967 -118.877 186.967 21.1361 GPRESSURE: 846600 -41.2739 21.7773 -110.627 -12.7533 80.6606 186.54 -129.259 115.756 84.3615 PRESSAVG: 846600 16.469 9.78053 -21.9048 9.7806 16.5573 1.48084 -21.9048 1.48079 17.6439 GPRESSAVG: 846600 16.123 9.56857 -19.3499 9.36417 14.7178 1.77078 -23.4077 1.14692 19.584 TIMING: 846600 CPU: 2510.05, 0.00294891/step Wall: 2510.05, 0.00294891/step, 3.40222 hours remaining, 206.707031 MB of memory in use. ENERGY: 846600 736.6085 2103.2381 1940.4605 111.6573 -206058.2771 17609.4580 0.0000 0.0000 34274.4267 -149282.4279 299.3271 -183556.8546 -149183.7277 298.6821 12.3310 41.2494 556639.4099 16.8900 16.8082 PRESSURE: 846800 180.706 -39.2102 -42.7113 -39.209 -14.5246 36.4228 -42.7116 36.4238 25.1784 GPRESSURE: 846800 140.272 79.4226 -93.5046 -120.812 29.5462 40.4818 -24.5095 12.8726 117.209 PRESSAVG: 846800 -25.0692 54.9074 7.69295 54.9075 33.7943 -34.5748 7.69289 -34.5748 18.5269 GPRESSAVG: 846800 -25.167 56.9257 5.84174 56.1136 34.3709 -33.5769 7.77904 -34.4918 17.7076 TIMING: 846800 CPU: 2510.64, 0.00296925/step Wall: 2510.64, 0.00296925/step, 3.42553 hours remaining, 206.707031 MB of memory in use. ENERGY: 846800 768.4213 2062.2044 1954.8954 110.2506 -206331.9443 17910.0029 0.0000 0.0000 34185.4868 -149340.6828 298.5504 -183526.1697 -149253.9971 298.7502 63.7865 95.6759 554931.3295 9.0840 8.9705 PRESSURE: 847000 -39.4933 135.313 -10.6265 135.314 132.134 62.6232 -10.6281 62.6238 92.5769 GPRESSURE: 847000 17.2011 57.6879 11.0229 136.229 159.943 149.896 -31.0578 44.5039 108.26 PRESSAVG: 847000 1.55478 10.4276 -14.624 10.4275 36.5036 -38.0785 -14.624 -38.0786 -60.5802 GPRESSAVG: 847000 2.83124 8.04782 -15.0674 8.66639 36.1298 -38.2107 -14.8562 -39.1114 -61.4707 TIMING: 847000 CPU: 2511.23, 0.00296241/step Wall: 2511.23, 0.00296241/step, 3.41746 hours remaining, 206.707031 MB of memory in use. ENERGY: 847000 750.2554 2061.6169 1936.7351 105.0953 -206176.7425 17780.9177 0.0000 0.0000 34112.8792 -149429.2430 297.9163 -183542.1222 -149328.9227 299.6027 61.7391 95.1347 555908.9747 -7.5073 -7.5032 PRESSURE: 847200 -99.0612 -145.704 -109.338 -145.704 73.9391 -70.1731 -109.338 -70.1747 333.794 GPRESSURE: 847200 -21.2583 -176.972 -78.4784 -110.227 47.7174 -82.8245 -83.5936 -69.5883 366.309 PRESSAVG: 847200 -74.0909 -18.873 10.2735 -18.873 -41.1946 -9.05918 10.2735 -9.05907 76.9441 GPRESSAVG: 847200 -73.2798 -18.8636 12.2234 -17.4659 -41.0829 -9.15215 9.0137 -8.91708 76.9152 TIMING: 847200 CPU: 2511.83, 0.00296256/step Wall: 2511.83, 0.00296256/step, 3.41747 hours remaining, 206.707031 MB of memory in use. ENERGY: 847200 745.8400 2080.3392 1932.7490 116.6179 -206608.2276 17990.9934 0.0000 0.0000 34469.6153 -149272.0727 301.0317 -183741.6881 -149176.6506 299.2009 102.8907 130.9228 555956.4249 -12.7804 -12.4825 PRESSURE: 847400 54.4208 -162.185 -183.696 -162.184 -157.187 -116.757 -183.696 -116.757 -48.1841 GPRESSURE: 847400 43.8128 -162.772 -80.4438 -214.355 -38.7311 -59.0917 -188.249 -87.6622 -61.2695 PRESSAVG: 847400 -1.40908 -13.4617 -28.8115 -13.4616 81.0431 -6.89602 -28.8116 -6.896 -3.57959 GPRESSAVG: 847400 -2.6363 -14.3331 -31.8051 -13.6802 81.5573 -5.82933 -26.9748 -6.11872 -3.68996 TIMING: 847400 CPU: 2512.42, 0.00293834/step Wall: 2512.42, 0.00293834/step, 3.38937 hours remaining, 206.707031 MB of memory in use. ENERGY: 847400 752.1566 2073.5942 1944.3112 122.0916 -205876.2864 17601.2752 0.0000 0.0000 34052.8786 -149329.9791 297.3923 -183382.8578 -149232.7632 299.7411 -50.3168 -18.7293 556534.7848 25.3515 25.0770 PRESSURE: 847600 -90.1405 73.3747 47.953 73.3747 -62.4337 -71.4331 47.953 -71.4343 -55.6451 GPRESSURE: 847600 -26.5413 183.842 69.5406 28.2961 -114.501 -82.9435 7.19548 -38.394 26.6121 PRESSAVG: 847600 -37.7592 -4.37685 -4.26565 -4.37685 77.8531 -19.1249 -4.26569 -19.125 -14.7654 GPRESSAVG: 847600 -37.0569 -3.10439 -3.26476 -3.09696 77.5726 -19.8035 -4.20129 -19.9843 -15.8392 TIMING: 847600 CPU: 2513.01, 0.00296784/step Wall: 2513.01, 0.00296784/step, 3.42324 hours remaining, 206.707031 MB of memory in use. ENERGY: 847600 747.6124 2096.1950 1974.5902 109.2886 -206140.2209 17813.6253 0.0000 0.0000 34260.3336 -149138.5759 299.2040 -183398.9096 -149036.0610 299.2610 -69.4064 -38.1435 557340.0505 8.4428 8.2255 PRESSURE: 847800 77.3019 -39.4486 -96.3944 -39.4466 15.8962 -79.9821 -96.3943 -79.98 98.211 GPRESSURE: 847800 117.133 -2.08881 -115.774 -76.3671 51.6246 -41.2306 -103.027 -144.234 124.235 PRESSAVG: 847800 44.5439 26.4186 32.7765 26.4187 -1.1528 -1.29043 32.7766 -1.29047 -10.8739 GPRESSAVG: 847800 43.4594 26.7598 33.0783 25.1142 -1.57935 -2.54818 30.5016 -1.82461 -9.55165 TIMING: 847800 CPU: 2513.6, 0.00296883/step Wall: 2513.6, 0.00296883/step, 3.42421 hours remaining, 206.707031 MB of memory in use. ENERGY: 847800 758.5476 2119.2286 1936.4508 122.2692 -206633.5147 17868.3916 0.0000 0.0000 34487.8088 -149340.8181 301.1906 -183828.6269 -149240.3476 299.6471 63.8030 97.6643 556629.6901 10.8391 10.7761 PRESSURE: 848000 57.2387 192.711 -53.3148 192.711 -250.834 29.2295 -53.3143 29.2295 273.415 GPRESSURE: 848000 27.7977 143.042 -43.9967 142.8 -141.384 59.7824 -67.4091 94.3474 296.965 PRESSAVG: 848000 10.6833 -12.678 -6.8782 -12.678 33.502 -14.1557 -6.87825 -14.1558 3.18355 GPRESSAVG: 848000 10.984 -12.9243 -7.00416 -11.9351 32.9978 -14.0118 -5.24123 -12.6983 3.4663 TIMING: 848000 CPU: 2514.2, 0.00297175/step Wall: 2514.2, 0.00297175/step, 3.42742 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: 848000 758.3591 2058.8627 1928.3909 105.6638 -206300.6735 17840.2941 0.0000 0.0000 34325.3772 -149283.7256 299.7721 -183609.1028 -149194.0573 299.4165 26.6066 61.1264 557567.4670 15.7896 15.8160 PRESSURE: 848200 93.9845 46.3246 139.317 46.3246 16.6395 -60.3327 139.319 -60.3323 3.99592 GPRESSURE: 848200 82.6981 45.3855 210.321 -25.9778 104.27 24.1606 102.013 -72.4075 16.0517 PRESSAVG: 848200 7.01057 37.1104 -39.8012 37.1104 -16.0436 67.6849 -39.8011 67.6848 21.1696 GPRESSAVG: 848200 7.05188 36.1956 -40.8569 38.4793 -15.3413 67.2716 -40.0858 66.4784 20.4349 TIMING: 848200 CPU: 2514.79, 0.0029797/step Wall: 2514.79, 0.0029797/step, 3.43643 hours remaining, 206.707031 MB of memory in use. ENERGY: 848200 719.2298 2081.3573 1916.8376 119.0399 -206334.7088 17778.8338 0.0000 0.0000 34276.3151 -149443.0953 299.3436 -183719.4104 -149341.7224 299.0194 38.2066 67.6731 557171.0955 4.0455 4.0485 LDB: ============= START OF LOAD BALANCING ============== 2518.22 LDB: ============== END OF LOAD BALANCING =============== 2518.22 LDB: =============== DONE WITH MIGRATION ================ 2518.22 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 2518.52 LDB: Largest compute 4848 load 0.032740 is 27.8% of average load 0.117800 LDB: Average compute 0.001740 is 1.5% of average load 0.117800 LDB: TIME 2518.52 LOAD: AVG 0.1178 MAX 0.200648 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.695 MB LDB: TIME 2518.52 LOAD: AVG 0.1178 MAX 0.200648 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.766 MB LDB: TIME 2518.52 LOAD: AVG 0.1178 MAX 0.200648 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.766 MB LDB: ============== END OF LOAD BALANCING =============== 2518.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2518.53 PRESSURE: 848400 -211.162 44.5591 33.5848 44.5593 255.418 -90.3728 33.5856 -90.3734 -107.196 GPRESSURE: 848400 -199.486 59.1015 18.152 70.2563 274.073 -18.6038 97.7348 -155.607 -36.6855 PRESSAVG: 848400 -10.435 51.2097 -8.34383 51.2097 47.5526 -52.0043 -8.34389 -52.0042 -12.8468 GPRESSAVG: 848400 -10.8896 53.701 -9.04227 48.5561 46.4682 -51.7449 -6.33125 -51.7102 -11.0475 TIMING: 848400 CPU: 2515.4, 0.00304027/step Wall: 2515.4, 0.00304027/step, 3.50611 hours remaining, 207.078125 MB of memory in use. ENERGY: 848400 711.4135 2085.7393 1942.7963 104.2206 -206523.4187 17916.8365 0.0000 0.0000 34285.8859 -149476.5267 299.4272 -183762.4126 -149381.4969 299.0398 -20.9798 12.6339 556545.7956 8.0902 8.1770 PRESSURE: 848600 -308.474 96.0758 98.2714 96.076 114.225 73.6541 98.2718 73.6527 2.64023 GPRESSURE: 848600 -269.112 123.713 69.573 84.1771 93.1849 109.196 109.594 46.4329 69.0833 PRESSAVG: 848600 26.2128 -25.3237 -23.2727 -25.3237 21.7612 -16.5055 -23.2728 -16.5055 -44.535 GPRESSAVG: 848600 27.0037 -26.9 -21.6519 -24.2464 21.9282 -17.2548 -25.0606 -14.0889 -45.7527 TIMING: 848600 CPU: 2515.99, 0.0029627/step Wall: 2515.99, 0.0029627/step, 3.41648 hours remaining, 207.148438 MB of memory in use. ENERGY: 848600 732.9516 2098.4677 1932.7205 117.5730 -206357.8645 17861.5677 0.0000 0.0000 34164.9288 -149449.6553 298.3708 -183614.5840 -149356.1964 298.3716 -63.8696 -35.6147 558115.4638 1.1463 1.0597 PRESSURE: 848800 333.109 -18.2137 33.3819 -18.2143 44.3635 101.43 33.3809 101.43 -3.03039 GPRESSURE: 848800 359.013 30.2331 38.0808 -129.664 129.65 6.64321 110.14 132.442 -5.82535 PRESSAVG: 848800 -17.0053 17.7456 -36.089 17.7457 -15.6819 14.1682 -36.0892 14.1682 35.4301 GPRESSAVG: 848800 -16.3746 18.0389 -36.2067 18.0353 -15.0495 15.1702 -35.8737 15.8294 34.744 TIMING: 848800 CPU: 2516.59, 0.0029687/step Wall: 2516.59, 0.0029687/step, 3.42324 hours remaining, 207.148438 MB of memory in use. ENERGY: 848800 712.6414 2042.9135 1923.1720 105.2302 -206411.9526 18005.8109 0.0000 0.0000 34242.6183 -149379.5663 299.0493 -183622.1845 -149278.3853 298.0355 124.8141 160.9459 557819.7989 0.9143 1.1067 PRESSURE: 849000 69.1142 61.9692 143.071 61.9699 59.9116 94.213 143.073 94.2129 313.607 GPRESSURE: 849000 113.165 87.4664 180.412 37.348 88.0823 10.7548 40.1507 79.8105 339.236 PRESSAVG: 849000 -11.4799 35.0794 -32.1873 35.0793 -46.8947 39.3632 -32.1872 39.3632 53.7413 GPRESSAVG: 849000 -12.4125 33.4676 -33.9024 34.9112 -47.0697 38.4617 -31.6588 36.1698 55.2922 TIMING: 849000 CPU: 2517.18, 0.00298278/step Wall: 2517.18, 0.00298278/step, 3.43932 hours remaining, 207.148438 MB of memory in use. ENERGY: 849000 700.4175 2023.0991 1954.7812 107.1959 -206586.9196 17978.6075 0.0000 0.0000 34256.2187 -149566.5997 299.1681 -183822.8184 -149477.3737 298.2496 147.5442 180.1612 555961.4858 -1.5444 -1.3966 PRESSURE: 849200 8.37741 66.3053 47.9468 66.3033 90.9689 -21.4633 47.9472 -21.4622 -59.2449 GPRESSURE: 849200 48.8323 19.9713 9.66531 113.735 147.188 -8.50071 48.9348 -26.871 -51.102 PRESSAVG: 849200 -29.7232 52.8607 3.78267 52.8607 2.87143 -45.1097 3.78262 -45.1097 24.8628 GPRESSAVG: 849200 -28.4404 55.252 3.31031 53.5973 2.27672 -43.7017 2.77503 -45.0348 24.1445 TIMING: 849200 CPU: 2517.78, 0.00298527/step Wall: 2517.78, 0.00298527/step, 3.44202 hours remaining, 207.148438 MB of memory in use. ENERGY: 849200 768.4192 2058.5580 1955.3573 97.8524 -206624.1704 17871.1243 0.0000 0.0000 34238.2796 -149634.5798 299.0114 -183872.8594 -149534.6831 298.0915 13.3672 48.3061 556275.9424 -0.6630 -0.6731 PRESSURE: 849400 269.25 -56.8549 -17.2456 -56.8543 153.297 -77.2608 -17.2444 -77.2615 -57.7435 GPRESSURE: 849400 239.816 -73.804 47.351 -65.1156 212.268 -13.2719 6.08383 -130.986 11.7687 PRESSAVG: 849400 33.4546 24.4456 -13.0434 24.4456 -16.0925 -66.6314 -13.0434 -66.6315 -15.8792 GPRESSAVG: 849400 33.0062 23.2488 -9.28263 23.737 -15.9617 -67.8319 -12.407 -66.1135 -15.3337 TIMING: 849400 CPU: 2518.38, 0.00300307/step Wall: 2518.38, 0.00300307/step, 3.46238 hours remaining, 207.148438 MB of memory in use. ENERGY: 849400 731.3448 2033.8883 1940.5086 105.6940 -206796.7677 18070.7111 0.0000 0.0000 34059.3603 -149855.2605 297.4489 -183914.6209 -149766.9653 297.9413 121.6010 154.6176 556408.5219 0.4943 0.5703 PRESSURE: 849600 -1.52633 -180.777 33.2827 -180.778 -299.636 -1.80669 33.2827 -1.80772 23.7083 GPRESSURE: 849600 49.7701 -121.768 84.1673 -227.157 -271.856 35.4436 6.90149 45.744 37.1015 PRESSAVG: 849600 24.1846 -39.2613 -7.01104 -39.2613 -19.9658 21.5793 -7.01104 21.5793 -6.22547 GPRESSAVG: 849600 24.421 -37.0851 -8.64682 -40.0138 -19.8278 23.7592 -7.78709 20.2563 -6.42452 TIMING: 849600 CPU: 2518.98, 0.00298312/step Wall: 2518.98, 0.00298312/step, 3.4392 hours remaining, 207.148438 MB of memory in use. ENERGY: 849600 740.3874 2038.1384 1934.2718 115.5236 -206731.5872 17898.5780 0.0000 0.0000 34153.9310 -149850.7570 298.2748 -184004.6879 -149758.4829 297.9234 -92.4846 -61.6615 555984.9517 -0.6689 -0.6104 PRESSURE: 849800 -277.911 32.234 -100.65 32.2341 -61.7748 -119.235 -100.65 -119.236 49.3767 GPRESSURE: 849800 -268.736 -1.27601 -65.6844 -111.42 13.7651 -81.7724 -131.418 -189.092 72.6284 PRESSAVG: 849800 -38.4727 -44.4136 -2.03639 -44.4136 40.0653 30.7698 -2.03646 30.7697 34.5505 GPRESSAVG: 849800 -37.6395 -43.6263 -3.14824 -45.8993 39.1577 29.2098 -1.29449 31.0802 34.9464 TIMING: 849800 CPU: 2519.57, 0.00296574/step Wall: 2519.57, 0.00296574/step, 3.419 hours remaining, 207.148438 MB of memory in use. ENERGY: 849800 714.7025 2099.0011 1937.5944 113.8815 -206575.7746 17653.6765 0.0000 0.0000 34242.2139 -149814.7046 299.0458 -184056.9185 -149713.6713 297.4759 -96.7698 -60.7807 557084.5070 12.0477 12.1548 PRESSURE: 850000 51.2663 87.5391 -51.392 87.5384 54.302 54.7654 -51.3919 54.7646 -184.329 GPRESSURE: 850000 63.4291 57.2959 -140.927 146.86 86.3678 -36.8261 15.1565 74.738 -128.611 PRESSAVG: 850000 -44.2886 21.4834 8.33733 21.4833 26.9114 4.87183 8.33735 4.8718 20.5988 GPRESSAVG: 850000 -45.4069 19.3704 8.93015 23.3899 28.3154 3.4071 8.14884 4.42165 19.6727 TIMING: 850000 CPU: 2520.17, 0.00298271/step Wall: 2520.17, 0.00298271/step, 3.4384 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: 850000 711.8055 2081.2796 1939.2902 114.4410 -206588.2126 17876.3940 0.0000 0.0000 34071.9711 -149793.0313 297.5590 -183865.0023 -149698.5821 297.2969 -26.2536 7.0620 556328.1881 1.0739 0.8604 PRESSURE: 850200 -27.2282 0.817206 -22.1395 0.816814 -247.075 -105.191 -22.1396 -105.189 -137.866 GPRESSURE: 850200 -2.20331 -2.33793 79.4588 -47.8081 -170.187 -49.1661 -37.6527 -93.745 -137.666 PRESSAVG: 850200 -13.5857 -20.59 1.69101 -20.59 38.924 -7.50942 1.69109 -7.50953 -17.8984 GPRESSAVG: 850200 -14.5857 -19.8244 2.62805 -21.5492 39.5914 -5.66887 2.52622 -8.67374 -17.5882 TIMING: 850200 CPU: 2520.76, 0.0029662/step Wall: 2520.76, 0.0029662/step, 3.41921 hours remaining, 207.148438 MB of memory in use. ENERGY: 850200 733.1860 2067.0568 1975.4117 103.8812 -206126.1164 17586.7943 0.0000 0.0000 34165.1474 -149494.6390 298.3727 -183659.7864 -149405.1900 297.3609 -137.3898 -103.3521 557122.3671 2.4800 2.4725 PRESSURE: 850400 -28.4931 166.264 72.8586 166.265 -34.5549 47.8624 72.858 47.8615 85.9785 GPRESSURE: 850400 15.4929 207.597 47.0512 170.311 2.71743 13.4057 32.4536 31.3296 97.4185 PRESSAVG: 850400 31.5869 23.4004 -20.7727 23.4004 -23.3837 67.5732 -20.7727 67.5732 -13.1804 GPRESSAVG: 850400 32.2705 22.6856 -23.2189 25.1535 -23.9427 65.847 -22.128 68.5872 -13.4496 TIMING: 850400 CPU: 2521.35, 0.00294854/step Wall: 2521.35, 0.00294854/step, 3.39869 hours remaining, 207.148438 MB of memory in use. ENERGY: 850400 788.5787 2053.9513 1926.6268 109.3636 -206401.5426 17943.2846 0.0000 0.0000 34045.9540 -149533.7837 297.3318 -183579.7376 -149444.8159 298.2310 7.6435 38.5429 557790.6735 -1.6590 -1.7072 PRESSURE: 850600 126.051 30.7117 -27.4806 30.7106 110.917 22.5612 -27.4791 22.5607 146.038 GPRESSURE: 850600 108.386 -12.3954 -95.7074 87.0779 139.664 116.298 28.7935 48.3988 225.839 PRESSAVG: 850600 -17.7164 37.6595 -64.1337 37.6595 11.0254 22.7074 -64.1336 22.7074 -13.5787 GPRESSAVG: 850600 -16.5259 39.7891 -63.1721 35.9713 9.85217 21.6187 -64.4314 23.5145 -13.8392 TIMING: 850600 CPU: 2521.94, 0.00295902/step Wall: 2521.94, 0.00295902/step, 3.4106 hours remaining, 207.148438 MB of memory in use. ENERGY: 850600 729.6343 2101.0761 1972.2981 114.7737 -206528.2694 17854.9207 0.0000 0.0000 34151.1295 -149604.4370 298.2503 -183755.5666 -149507.2797 298.2436 127.6686 157.9629 556018.5554 -6.7566 -6.8376 PRESSURE: 850800 -106.593 -30.6237 86.6077 -30.6219 -66.86 86.4478 86.6079 86.4481 -127.706 GPRESSURE: 850800 -76.5203 -83.4044 92.8822 3.3374 -18.0565 80.4521 34.5705 80.2184 -116.944 PRESSAVG: 850800 51.2142 -15.736 -33.325 -15.736 -86.3009 -47.6866 -33.3251 -47.6867 26.3745 GPRESSAVG: 850800 51.0238 -17.7461 -33.287 -13.3949 -86.9977 -47.0464 -32.7518 -47.2617 27.5558 TIMING: 850800 CPU: 2522.54, 0.00297673/step Wall: 2522.54, 0.00297673/step, 3.43085 hours remaining, 207.148438 MB of memory in use. ENERGY: 850800 770.2928 2088.5449 1940.5068 115.7194 -206665.7062 17683.5613 0.0000 0.0000 34375.9398 -149691.1412 300.2136 -184067.0810 -149588.8203 297.7329 -100.3863 -70.5068 555460.1905 -2.9041 -2.8060 PRESSURE: 851000 157.497 152.638 131.579 152.64 118.135 -6.48717 131.579 -6.48818 51.2041 GPRESSURE: 851000 243.663 160.819 13.1228 185.145 136.443 76.4388 132.252 -49.3012 50.4737 PRESSAVG: 851000 8.45153 28.7187 -31.9676 28.7186 22.1051 -29.1421 -31.9676 -29.1423 -26.7182 GPRESSAVG: 851000 8.21473 28.414 -30.7736 27.8281 22.3297 -28.7451 -32.04 -29.0752 -26.5887 TIMING: 851000 CPU: 2523.13, 0.00297453/step Wall: 2523.13, 0.00297453/step, 3.42814 hours remaining, 207.148438 MB of memory in use. ENERGY: 851000 731.7274 2009.2960 1937.0099 117.8569 -206687.1854 17957.7249 0.0000 0.0000 34191.8950 -149741.6753 298.6063 -183933.5703 -149646.5961 298.4280 108.9454 143.5263 556220.0982 1.2795 1.3186 PRESSURE: 851200 -223.194 -13.5761 -256.875 -13.5769 47.0596 13.675 -256.876 13.6743 5.26206 GPRESSURE: 851200 -166.911 86.5511 -167.249 -57.6624 18.1898 59.3493 -260.417 113.518 73.8572 PRESSAVG: 851200 26.6287 41.1704 -19.1974 41.1703 31.229 -56.0161 -19.1975 -56.0161 3.38268 GPRESSAVG: 851200 26.9236 42.1804 -21.2964 40.4989 32.489 -57.0385 -18.1013 -55.8415 1.76057 TIMING: 851200 CPU: 2523.72, 0.00295934/step Wall: 2523.72, 0.00295934/step, 3.41048 hours remaining, 207.148438 MB of memory in use. ENERGY: 851200 731.3295 2083.0007 1944.4272 109.0291 -206391.8835 17785.4309 0.0000 0.0000 34063.7884 -149674.8778 297.4875 -183738.6662 -149578.3943 297.7115 -56.9576 -24.9547 556946.3843 20.4134 20.3910 PRESSURE: 851400 -83.398 -3.1148 27.4404 -3.11492 249.003 101.71 27.441 101.709 60.5295 GPRESSURE: 851400 -66.4577 -9.1908 89.8904 65.1159 269.283 151.964 -33.2699 140.858 125.345 PRESSAVG: 851400 -52.6158 47.494 -51.3078 47.4939 49.0033 16.2175 -51.3078 16.2176 22.4329 GPRESSAVG: 851400 -53.8847 45.7558 -50.0129 48.8609 49.628 16.175 -52.4939 15.2931 23.3596 TIMING: 851400 CPU: 2524.31, 0.00294261/step Wall: 2524.31, 0.00294261/step, 3.39103 hours remaining, 207.148438 MB of memory in use. ENERGY: 851400 721.6467 2080.1076 1938.2776 107.8425 -206452.8537 17956.5646 0.0000 0.0000 34021.8281 -149626.5865 297.1211 -183648.4146 -149531.6589 297.5769 75.3781 109.3903 557517.9101 6.2735 6.3676 PRESSURE: 851600 -24.0609 158.224 -137.469 158.224 -148.572 2.51796 -137.469 2.5173 75.7716 GPRESSURE: 851600 -17.3486 172.863 -66.0271 105.211 -90.7428 65.7598 -209.869 -18.1877 106.87 PRESSAVG: 851600 8.20078 -45.3567 3.63025 -45.3566 8.68107 -16.024 3.63036 -16.0239 14.7633 GPRESSAVG: 851600 8.60949 -44.241 2.81543 -47.7268 6.65123 -15.6037 4.97909 -16.666 15.9072 TIMING: 851600 CPU: 2524.9, 0.00294883/step Wall: 2524.9, 0.00294883/step, 3.39803 hours remaining, 207.148438 MB of memory in use. ENERGY: 851600 749.8818 2103.2527 1959.3508 108.5003 -206418.8181 17872.9131 0.0000 0.0000 33906.2031 -149718.7164 296.1113 -183624.9195 -149621.7360 297.5391 -32.2871 -0.4072 557727.5669 10.5484 10.3893 PRESSURE: 851800 223.462 16.956 31.7999 16.9558 -109.958 68.722 31.7999 68.7212 -0.160917 GPRESSURE: 851800 213.006 40.2919 27.1909 6.84846 -20.256 67.0523 -10.7147 38.6458 26.2217 PRESSAVG: 851800 -46.4495 -20.9668 24.885 -20.9668 -7.623 -11.327 24.885 -11.327 10.0776 GPRESSAVG: 851800 -46.8763 -21.8365 23.1333 -16.9912 -6.01861 -11.7671 25.1721 -10.8848 9.46947 TIMING: 851800 CPU: 2525.5, 0.00296252/step Wall: 2525.5, 0.00296252/step, 3.41364 hours remaining, 207.148438 MB of memory in use. ENERGY: 851800 728.2741 2122.7284 1968.0509 119.6845 -206473.3059 17820.5467 0.0000 0.0000 34042.8487 -149671.1726 297.3047 -183714.0213 -149581.2496 297.7020 37.7812 72.9907 554960.9750 -14.6650 -14.4752 PRESSURE: 852000 -89.2435 245.685 4.71348 245.685 -92.8326 29.7872 4.71374 29.7863 48.4091 GPRESSURE: 852000 -79.0637 243.853 25.6787 188.021 -30.0782 52.3766 -52.7339 -22.2498 74.1494 PRESSAVG: 852000 -6.7423 5.30844 5.3224 5.30857 0.450198 -7.04679 5.32233 -7.04676 50.4618 GPRESSAVG: 852000 -5.85243 6.44938 6.70742 0.823528 -0.283973 -7.53151 4.41654 -6.62179 50.6528 TIMING: 852000 CPU: 2526.09, 0.00296285/step Wall: 2526.09, 0.00296285/step, 3.41386 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: 852000 761.6188 2170.8721 1932.4999 123.0096 -206857.9461 17999.6193 0.0000 0.0000 34280.2610 -149590.0655 299.3780 -183870.3265 -149495.2906 297.9753 -44.5557 -11.6642 555591.0908 14.7232 14.8388 PRESSURE: 852200 57.9854 -137.728 -321.96 -137.727 -130.091 87.1038 -321.96 87.1046 123.128 GPRESSURE: 852200 99.0991 -128.599 -341.226 -140.031 -93.9099 60.1086 -317.322 88.8921 158.596 PRESSAVG: 852200 -1.98146 18.5549 -21.2629 18.5549 -5.39103 10.1599 -21.263 10.1598 51.6844 GPRESSAVG: 852200 -2.84176 17.9339 -22.3699 20.6756 -4.5657 13.3118 -21.0547 9.97409 51.9166 TIMING: 852200 CPU: 2526.68, 0.00296885/step Wall: 2526.68, 0.00296885/step, 3.42061 hours remaining, 207.148438 MB of memory in use. ENERGY: 852200 756.2929 2085.0511 1946.5363 101.9238 -206988.0151 18123.9685 0.0000 0.0000 34267.9613 -149706.2812 299.2706 -183974.2425 -149609.7112 297.9938 17.0074 54.5949 557405.2855 14.7706 14.8364 LDB: ============= START OF LOAD BALANCING ============== 2530.11 LDB: ============== END OF LOAD BALANCING =============== 2530.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2530.11 LDB: ============= START OF LOAD BALANCING ============== 2530.4 LDB: Largest compute 4848 load 0.032191 is 27.3% of average load 0.117752 LDB: Average compute 0.001741 is 1.5% of average load 0.117752 LDB: TIME 2530.41 LOAD: AVG 0.117752 MAX 0.198391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 2530.41 LOAD: AVG 0.117752 MAX 0.198391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: TIME 2530.41 LOAD: AVG 0.117752 MAX 0.198391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2530.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2530.41 PRESSURE: 852400 342.398 -22.7488 -55.7586 -22.7473 143.636 -21.3429 -55.7591 -21.3445 372.377 GPRESSURE: 852400 360.862 -83.4415 -78.0423 -7.45708 194.816 72.6989 -20.3607 -99.7674 404.702 PRESSAVG: 852400 -75.5905 63.1634 -26.8621 63.1635 -0.127377 32.1031 -26.8621 32.1031 55.1958 GPRESSAVG: 852400 -75.0157 61.8838 -26.8702 63.7062 -0.378498 31.515 -27.2605 32.3415 55.289 TIMING: 852400 CPU: 2527.28, 0.00301118/step Wall: 2527.28, 0.00301118/step, 3.46921 hours remaining, 207.480469 MB of memory in use. ENERGY: 852400 747.3992 2098.7195 1977.4076 125.0876 -207002.3892 18368.5631 0.0000 0.0000 34064.5456 -149620.6665 297.4941 -183685.2121 -149532.6941 297.8880 286.1368 320.1267 556689.7905 -6.8407 -6.7017 PRESSURE: 852600 -12.7341 2.86759 49.0888 2.86753 -40.7256 -143.235 49.0886 -143.233 31.586 GPRESSURE: 852600 62.4649 84.9848 26.4088 -56.4876 -42.6783 -147.475 94.5089 -155.325 46.7732 PRESSAVG: 852600 -43.8803 20.0345 -12.802 20.0345 14.6755 10.7169 -12.802 10.7168 17.9994 GPRESSAVG: 852600 -43.5258 21.251 -11.235 18.8269 13.9498 9.30404 -14.7212 9.8071 18.2 TIMING: 852600 CPU: 2527.88, 0.00296681/step Wall: 2527.88, 0.00296682/step, 3.41794 hours remaining, 207.480469 MB of memory in use. ENERGY: 852600 781.4120 2078.5681 1999.5762 117.3037 -206758.8283 18069.0610 0.0000 0.0000 33991.9520 -149720.9554 296.8602 -183712.9074 -149622.9446 298.1993 -7.2912 22.1866 556885.7857 -3.7351 -3.7920 PRESSURE: 852800 -411.315 83.6226 -42.1142 83.6217 59.3687 -124.807 -42.1149 -124.805 171.973 GPRESSURE: 852800 -365.695 149.651 -29.623 18.5579 93.9491 -114.862 -34.6132 -116.384 184.875 PRESSAVG: 852800 -66.0692 -14.0696 -2.30318 -14.0697 40.8738 -17.3426 -2.30318 -17.3426 95.8123 GPRESSAVG: 852800 -65.5926 -13.6059 -4.37365 -10.0878 40.6262 -16.2071 -0.174995 -17.2911 95.6941 TIMING: 852800 CPU: 2528.47, 0.00295468/step Wall: 2528.47, 0.00295468/step, 3.40379 hours remaining, 207.480469 MB of memory in use. ENERGY: 852800 761.5421 2054.5076 1972.0451 105.8157 -206592.6167 17950.5070 0.0000 0.0000 33979.0297 -149769.1696 296.7473 -183748.1993 -149668.7988 298.2338 -59.9911 -28.9570 558018.8792 23.5390 23.5759 PRESSURE: 853000 121.08 117.557 14.4695 117.556 -145.911 48.893 14.4683 48.8923 83.7682 GPRESSURE: 853000 134.221 157.046 44.7636 146.424 -91.6217 -29.9829 2.37025 49.9316 120.292 PRESSAVG: 853000 -63.8324 16.2785 -42.3451 16.2784 -26.1957 -5.54069 -42.3451 -5.54057 61.4237 GPRESSAVG: 853000 -64.5155 15.1406 -41.5488 13.1278 -25.0113 -7.20381 -43.2464 -2.86052 61.111 TIMING: 853000 CPU: 2529.06, 0.00295296/step Wall: 2529.06, 0.00295296/step, 3.40165 hours remaining, 207.480469 MB of memory in use. ENERGY: 853000 722.6511 2079.0665 1937.4264 99.7065 -206743.9259 18062.7768 0.0000 0.0000 34150.6107 -149691.6879 298.2458 -183842.2986 -149586.5473 297.4595 19.6457 54.2971 558351.1103 -9.5348 -9.4719 PRESSURE: 853200 -109.13 63.0997 -130.291 63.0995 152.283 62.2169 -130.291 62.2155 -368.219 GPRESSURE: 853200 -78.5965 101.933 -71.8312 17.4926 135.73 -17.728 -190.653 97.6541 -272.561 PRESSAVG: 853200 -8.59856 83.5041 17.9543 83.5042 -35.2771 14.1747 17.9544 14.1748 43.2896 GPRESSAVG: 853200 -8.88071 84.6397 18.8457 82.9269 -36.3868 16.4992 18.3556 12.1622 44.3715 TIMING: 853200 CPU: 2529.66, 0.00298308/step Wall: 2529.66, 0.00298308/step, 3.43618 hours remaining, 207.480469 MB of memory in use. ENERGY: 853200 741.3628 2065.2201 1976.4531 120.8984 -206573.2439 17825.9709 0.0000 0.0000 34080.3206 -149763.0181 297.6319 -183843.3387 -149667.4902 298.3728 -108.3553 -71.8093 557427.3600 -0.1953 -0.2987 PRESSURE: 853400 60.4514 -52.7967 -150.594 -52.7969 -163.714 52.8714 -150.595 52.8711 -124.15 GPRESSURE: 853400 60.5827 -67.6154 -140.301 -50.2118 -79.3577 150.19 -106.343 40.7767 -94.2757 PRESSAVG: 853400 -17.462 10.7927 -33.1235 10.7928 -25.6182 74.2856 -33.1235 74.2856 5.89406 GPRESSAVG: 853400 -18.1038 8.78776 -32.5997 10.3046 -25.97 73.3165 -31.4521 74.0305 7.23734 TIMING: 853400 CPU: 2530.25, 0.00297939/step Wall: 2530.25, 0.00297939/step, 3.43176 hours remaining, 207.480469 MB of memory in use. ENERGY: 853400 689.1797 2092.5573 1970.8455 102.7835 -206469.3914 17829.5006 0.0000 0.0000 33979.2705 -149805.2543 296.7494 -183784.5249 -149709.7024 297.4857 -75.8039 -37.6836 558334.1087 -12.3954 -12.2788 PRESSURE: 853600 -277.851 46.8156 5.44727 46.8162 -175.698 34.0177 5.44762 34.0173 83.048 GPRESSURE: 853600 -236.935 116.282 91.7765 19.336 -167.993 12.7555 -92.1148 -7.31675 132.846 PRESSAVG: 853600 -31.9844 34.8281 7.28056 34.828 7.18352 23.6212 7.28059 23.6213 35.006 GPRESSAVG: 853600 -30.9209 35.885 6.99179 36.9803 7.52564 22.5586 4.70963 24.9484 33.1719 TIMING: 853600 CPU: 2530.85, 0.00297791/step Wall: 2530.85, 0.00297791/step, 3.42989 hours remaining, 207.480469 MB of memory in use. ENERGY: 853600 759.2513 2091.4556 1965.8297 117.5101 -207009.9451 18043.4600 0.0000 0.0000 34133.3746 -149899.0637 298.0952 -184032.4383 -149801.6042 297.3691 -123.5003 -90.6941 557958.4889 3.4017 3.2589 PRESSURE: 853800 -18.0742 -115.778 -149.243 -115.779 -98.1505 -114.743 -149.242 -114.745 58.7268 GPRESSURE: 853800 27.5091 -52.0591 -130.559 -187.18 -77.9156 -91.6693 -108.744 -119.267 98.5422 PRESSAVG: 853800 15.3912 -16.1154 -62.0055 -16.1154 -10.3279 21.9551 -62.0056 21.9553 10.3682 GPRESSAVG: 853800 15.0513 -15.4876 -62.3627 -18.0318 -10.9401 22.5829 -59.8409 21.023 11.5233 TIMING: 853800 CPU: 2531.44, 0.00295255/step Wall: 2531.44, 0.00295255/step, 3.40052 hours remaining, 207.480469 MB of memory in use. ENERGY: 853800 756.7954 2031.2340 1961.1231 116.4922 -206720.4695 17849.2665 0.0000 0.0000 34177.7022 -149827.8561 298.4824 -184005.5584 -149729.5617 297.3284 -19.1659 16.0452 557072.2859 5.1438 5.2115 PRESSURE: 854000 -171.212 56.7418 -80.3375 56.7411 -75.2571 226.405 -80.3386 226.405 -261.96 GPRESSURE: 854000 -135.308 33.3261 -106.627 120.738 9.99117 251.195 -65.0612 250.871 -289.189 PRESSAVG: 854000 -34.2763 18.095 -17.4927 18.095 -8.71104 -14.8456 -17.4928 -14.8455 49.1785 GPRESSAVG: 854000 -33.8869 18.9369 -19.2104 19.4425 -8.28694 -13.8239 -19.1962 -16.0137 47.9075 TIMING: 854000 CPU: 2532.03, 0.00297483/step Wall: 2532.03, 0.00297483/step, 3.42601 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: 854000 741.8445 2073.2936 1927.7519 109.8573 -206521.2985 17813.2479 0.0000 0.0000 34053.4382 -149801.8651 297.3971 -183855.3033 -149702.4733 297.9348 -169.4765 -138.1689 558684.8757 2.0637 1.9112 PRESSURE: 854200 -97.6803 -16.0805 -73.0786 -16.0791 -169.289 -16.8071 -73.0806 -16.8086 -15.5321 GPRESSURE: 854200 -62.7272 -100.845 -50.8979 -56.2554 -92.4788 33.3573 -38.989 -58.9198 -27.5381 PRESSAVG: 854200 -43.5193 36.3867 34.9207 36.3869 9.35626 38.4199 34.9207 38.42 34.9605 GPRESSAVG: 854200 -44.4993 35.9913 34.6173 36.8147 10.7271 40.1454 38.259 34.8171 34.9125 TIMING: 854200 CPU: 2532.63, 0.00297488/step Wall: 2532.63, 0.00297488/step, 3.42591 hours remaining, 207.480469 MB of memory in use. ENERGY: 854200 782.0238 2069.4160 1932.0452 103.5482 -206579.1633 17802.9209 0.0000 0.0000 34053.5137 -149835.6956 297.3978 -183889.2093 -149742.2737 297.9319 -94.1673 -60.9147 557354.2906 0.2658 0.3801 PRESSURE: 854400 -17.4419 -106.319 41.4087 -106.321 237.951 -70.312 41.4089 -70.3133 -119.11 GPRESSURE: 854400 -54.601 -83.3968 0.0176694 -173.349 257.036 -53.5743 -3.88696 -34.5155 7.35362 PRESSAVG: 854400 -35.0496 -2.95894 -65.8381 -2.95899 10.1286 -15.677 -65.838 -15.677 -0.418036 GPRESSAVG: 854400 -33.8332 -2.99009 -65.9254 -2.75516 8.49317 -16.9892 -68.565 -12.365 0.708648 TIMING: 854400 CPU: 2533.22, 0.00297369/step Wall: 2533.22, 0.00297369/step, 3.42437 hours remaining, 207.480469 MB of memory in use. ENERGY: 854400 726.3166 2038.8531 1956.9093 112.1331 -206674.4472 17932.9349 0.0000 0.0000 34115.0881 -149792.2121 297.9355 -183907.3002 -149696.3595 298.1596 33.7998 69.9295 555871.6948 -8.4463 -8.2105 PRESSURE: 854600 -31.5297 135.536 2.90008 135.536 -194.341 -15.7972 2.90123 -15.7955 69.917 GPRESSURE: 854600 -12.5585 223.059 96.681 97.3417 -117.999 -4.14678 -68.2955 -19.2084 81.3438 PRESSAVG: 854600 -11.912 -46.4049 -10.2068 -46.4048 9.76618 -70.8047 -10.2067 -70.8046 -1.08578 GPRESSAVG: 854600 -11.4898 -45.6427 -10.5087 -48.2769 10.2823 -72.4618 -8.2061 -68.8747 -1.88721 TIMING: 854600 CPU: 2533.81, 0.00295613/step Wall: 2533.81, 0.00295613/step, 3.40398 hours remaining, 207.480469 MB of memory in use. ENERGY: 854600 738.2656 2150.3438 1936.7769 118.2918 -206465.7840 17679.4511 0.0000 0.0000 33994.3303 -149848.3245 296.8809 -183842.6548 -149753.6760 297.6204 -51.9847 -16.4044 555370.2332 -1.0772 -1.0315 PRESSURE: 854800 -55.3252 -11.2624 208.302 -11.263 197.696 -129.573 208.303 -129.572 -143.152 GPRESSURE: 854800 -53.9602 46.7097 206.164 37.7033 295.764 -147.837 158.783 -96.1182 -141.301 PRESSAVG: 854800 59.6535 -25.6499 -37.5626 -25.6499 43.0197 -44.9106 -37.5626 -44.9106 -49.7195 GPRESSAVG: 854800 60.3374 -27.658 -36.3055 -24.9953 43.7059 -42.9144 -37.9357 -46.7896 -50.855 TIMING: 854800 CPU: 2534.41, 0.00296887/step Wall: 2534.41, 0.00296887/step, 3.41849 hours remaining, 207.480469 MB of memory in use. ENERGY: 854800 722.6204 2070.5455 1951.7824 121.4129 -206585.3124 17890.1372 0.0000 0.0000 34156.9132 -149671.9008 298.3008 -183828.8139 -149575.7896 297.7559 -0.2606 33.5007 556261.9739 17.6512 17.7294 PRESSURE: 855000 -41.2367 213.146 204.048 213.147 121.753 -72.1553 204.048 -72.1553 -69.0255 GPRESSURE: 855000 4.95616 160.002 172.165 240.265 142.473 -116.966 205.893 -78.046 -51.2812 PRESSAVG: 855000 8.51492 24.8669 84.2209 24.8669 43.6492 -50.1567 84.221 -50.1567 -57.8135 GPRESSAVG: 855000 8.60917 25.1261 82.3027 23.8561 42.2144 -51.235 82.9133 -49.1112 -56.8342 TIMING: 855000 CPU: 2535, 0.00296695/step Wall: 2535, 0.00296695/step, 3.41612 hours remaining, 207.480469 MB of memory in use. ENERGY: 855000 731.8999 2049.9502 1961.6991 128.9625 -206866.2394 18106.5332 0.0000 0.0000 34028.5571 -149858.6374 297.1799 -183887.1945 -149758.7898 298.0909 3.8304 32.0495 556437.0524 -1.8831 -2.0036 PRESSURE: 855200 -17.9457 50.5786 -81.0925 50.5784 108.594 -86.8455 -81.092 -86.8448 100.448 GPRESSURE: 855200 29.299 88.2727 -110.145 15.4726 150.522 -21.3683 -46.4549 -95.9402 111.101 PRESSAVG: 855200 6.58554 52.5225 38.7385 52.5225 -6.12683 -4.32759 38.7385 -4.32758 -17.3797 GPRESSAVG: 855200 6.88975 49.852 40.4213 54.4322 -5.64267 -4.20879 37.9526 -5.1357 -17.9754 TIMING: 855200 CPU: 2535.6, 0.00299232/step Wall: 2535.6, 0.00299232/step, 3.44515 hours remaining, 207.480469 MB of memory in use. ENERGY: 855200 726.4766 2044.3721 1954.5635 115.4801 -206801.5988 18031.8064 0.0000 0.0000 33982.8079 -149946.0922 296.7803 -183928.9001 -149850.8757 297.7240 63.6988 96.9739 556856.4486 -5.6403 -5.5761 PRESSURE: 855400 -85.1261 127.227 98.8227 127.227 -122.322 -23.3768 98.8227 -23.3771 -381.417 GPRESSURE: 855400 -78.2172 127.724 98.6833 218.626 -95.271 -52.4653 158.68 44.6617 -316.867 PRESSAVG: 855400 11.1682 64.0713 6.94983 64.0714 -59.4234 -21.8135 6.94983 -21.8135 59.3415 GPRESSAVG: 855400 9.80463 66.07 7.3809 64.6328 -59.164 -22.1708 7.0776 -21.8944 60.4904 TIMING: 855400 CPU: 2536.2, 0.00299361/step Wall: 2536.2, 0.00299361/step, 3.44647 hours remaining, 207.480469 MB of memory in use. ENERGY: 855400 750.3438 2066.7004 1960.6831 104.8259 -206325.3376 17727.3140 0.0000 0.0000 34043.0254 -149672.4450 297.3062 -183715.4704 -149576.1007 297.6170 -196.2885 -163.4518 556483.0125 3.6954 3.7104 PRESSURE: 855600 -390.365 89.4284 28.7094 89.4275 -109.897 -46.4187 28.7105 -46.4177 -313.506 GPRESSURE: 855600 -320.277 107.185 100.856 124.472 -65.7323 34.4815 11.0066 -117.507 -322.639 PRESSAVG: 855600 23.9137 78.4951 50.3424 78.4952 -16.3954 -5.44771 50.3424 -5.44767 43.5183 GPRESSAVG: 855600 24.1572 78.0027 49.5661 79.5791 -16.1227 -3.80408 50.6535 -5.69233 42.6126 TIMING: 855600 CPU: 2536.79, 0.00296739/step Wall: 2536.79, 0.00296739/step, 3.41613 hours remaining, 207.480469 MB of memory in use. ENERGY: 855600 750.8647 2088.5024 1975.6503 106.2960 -206355.6359 17663.8180 0.0000 0.0000 34119.6063 -149650.8983 297.9750 -183770.5046 -149557.0047 297.8585 -271.2562 -236.2162 558027.0648 17.0122 16.8824 PRESSURE: 855800 -89.9183 250.573 -24.6854 250.573 122.555 -76.6138 -24.6862 -76.6129 -45.3167 GPRESSURE: 855800 -76.6245 281.044 -67.2645 245.625 220.202 -30.9096 -15.0441 -144.898 -70.4731 PRESSAVG: 855800 -33.4327 -27.32 0.250265 -27.32 35.8842 -3.26667 0.250252 -3.2666 2.12742 GPRESSAVG: 855800 -33.8522 -26.7222 1.30103 -27.2251 36.3771 -4.58285 0.621074 -3.0157 1.71505 TIMING: 855800 CPU: 2537.39, 0.00297108/step Wall: 2537.39, 0.00297108/step, 3.42021 hours remaining, 207.480469 MB of memory in use. ENERGY: 855800 723.4630 2076.4016 1966.5212 119.4431 -206561.3629 17971.5514 0.0000 0.0000 34164.4831 -149539.4996 298.3669 -183703.9826 -149437.7799 298.5451 -4.2267 24.3681 558002.5660 1.5263 1.4133 PRESSURE: 856000 9.21588 -13.1259 -69.8703 -13.1254 49.5389 -101.644 -69.8708 -101.642 11.0595 GPRESSURE: 856000 57.8278 -54.4048 -46.18 81.484 38.0406 -106.989 -138.981 -101.44 79.3329 PRESSAVG: 856000 -62.0514 28.59 10.1833 28.5901 39.0787 24.1861 10.1832 24.1859 7.02427 GPRESSAVG: 856000 -62.3035 29.8963 8.82595 27.5992 37.8123 24.0605 10.9059 25.5883 8.69338 TIMING: 856000 CPU: 2537.98, 0.00299332/step Wall: 2537.98, 0.00299332/step, 3.44565 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: 856000 763.8592 2102.3116 1981.6440 119.6908 -206528.5745 18072.8360 0.0000 0.0000 34126.2156 -149362.0172 298.0327 -183488.2328 -149271.3240 298.4440 23.2714 58.4004 557653.2708 -5.3161 -5.2659 PRESSURE: 856200 -12.4765 90.2734 -33.8683 90.273 -287.733 26.9241 -33.8687 26.9233 -33.1392 GPRESSURE: 856200 0.590549 68.6647 -84.5343 28.4415 -215.023 44.76 -154.286 52.7149 -6.41416 PRESSAVG: 856200 -34.1213 0.918781 -16.9221 0.918721 38.993 -25.1012 -16.9221 -25.1012 -11.9063 GPRESSAVG: 856200 -33.7821 -0.438176 -15.7458 1.84969 39.8523 -25.3469 -16.5369 -26.475 -12.7843 TIMING: 856200 CPU: 2538.58, 0.00298677/step Wall: 2538.58, 0.00298677/step, 3.43794 hours remaining, 207.480469 MB of memory in use. ENERGY: 856200 762.9713 2117.9623 1960.9904 106.7199 -206323.7128 17637.1203 0.0000 0.0000 34174.7335 -149563.2152 298.4564 -183737.9487 -149469.4615 298.3356 -111.1162 -73.6155 556756.3681 -2.3449 -2.2380 LDB: ============= START OF LOAD BALANCING ============== 2542.01 LDB: ============== END OF LOAD BALANCING =============== 2542.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2542.01 LDB: ============= START OF LOAD BALANCING ============== 2542.31 LDB: Largest compute 4848 load 0.030995 is 26.3% of average load 0.117732 LDB: Average compute 0.001743 is 1.5% of average load 0.117732 LDB: TIME 2542.32 LOAD: AVG 0.117732 MAX 0.199276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 2542.32 LOAD: AVG 0.117732 MAX 0.199276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: TIME 2542.32 LOAD: AVG 0.117732 MAX 0.199276 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: ============== END OF LOAD BALANCING =============== 2542.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2542.32 PRESSURE: 856400 -91.1813 5.5034 -144.268 5.5021 -90.3225 110.886 -144.268 110.886 -24.2472 GPRESSURE: 856400 -38.1522 -0.248299 -238.306 43.9241 -33.1224 130.034 -112.262 16.7579 -47.1766 PRESSAVG: 856400 12.1883 -12.6669 -51.345 -12.6668 -4.81969 -16.2462 -51.345 -16.2464 -28.7044 GPRESSAVG: 856400 13.0037 -11.4128 -51.8939 -14.5388 -6.14111 -14.664 -54.2393 -15.3041 -28.214 TIMING: 856400 CPU: 2539.19, 0.00306067/step Wall: 2539.19, 0.00306067/step, 3.52284 hours remaining, 206.503906 MB of memory in use. ENERGY: 856400 750.1843 2094.8859 1926.4531 103.0477 -206340.3582 17758.8124 0.0000 0.0000 34165.1095 -149541.8654 298.3724 -183706.9749 -149444.3848 298.1852 -68.5837 -39.4837 557607.1625 -7.1119 -7.1171 PRESSURE: 856600 -278.519 -39.1836 32.5454 -39.183 -266.373 -125.298 32.5463 -125.297 -204.224 GPRESSURE: 856600 -234.195 17.2704 71.407 -89.2404 -238.256 -145.949 69.0384 -119.998 -188.172 PRESSAVG: 856600 3.68157 4.0953 -20.7484 4.09529 -8.46985 -37.6429 -20.7485 -37.643 10.3336 GPRESSAVG: 856600 3.6726 3.97454 -20.8157 4.04464 -7.99863 -38.4305 -18.2567 -36.4067 9.5248 TIMING: 856600 CPU: 2539.79, 0.0029865/step Wall: 2539.79, 0.0029865/step, 3.43729 hours remaining, 206.707031 MB of memory in use. ENERGY: 856600 766.7614 2050.2971 1959.7529 112.2591 -206211.2565 17649.1536 0.0000 0.0000 34097.4747 -149575.5576 297.7817 -183673.0323 -149476.4961 298.1685 -249.7053 -220.2077 557182.6526 1.8484 1.7329 PRESSURE: 856800 -105.231 42.2967 -126.941 42.2972 -194.435 23.1625 -126.941 23.1623 79.1479 GPRESSURE: 856800 -99.5901 55.3271 -160.902 0.64526 -108.524 -15.4248 -106.823 88.9726 108.01 PRESSAVG: 856800 17.2579 -16.9038 -18.3802 -16.9037 -7.05079 9.69604 -18.3802 9.69595 30.5068 GPRESSAVG: 856800 16.8787 -17.754 -18.2565 -16.1862 -7.54849 10.4024 -18.937 7.64239 31.3718 TIMING: 856800 CPU: 2540.39, 0.00300047/step Wall: 2540.39, 0.00300047/step, 3.45321 hours remaining, 206.707031 MB of memory in use. ENERGY: 856800 721.9950 2076.7342 1952.5042 106.8507 -206157.8598 17637.5429 0.0000 0.0000 34109.9380 -149552.2947 297.8906 -183662.2327 -149451.1803 298.4153 -73.5058 -33.3678 555320.1433 13.5713 13.5673 PRESSURE: 857000 -252.831 -95.1523 76.4657 -95.1512 68.4415 27.8201 76.4672 27.821 29.2525 GPRESSURE: 857000 -190.553 -90.2181 107.95 -108.322 92.453 25.4627 60.179 -5.67282 41.1487 PRESSAVG: 857000 -25.9039 -35.8038 -15.9974 -35.8039 -1.54777 13.8878 -15.9975 13.8879 49.5655 GPRESSAVG: 857000 -26.0977 -34.6671 -15.589 -37.2401 -0.833201 13.5319 -15.122 16.2891 48.3843 TIMING: 857000 CPU: 2540.99, 0.00300296/step Wall: 2540.99, 0.00300296/step, 3.45591 hours remaining, 206.707031 MB of memory in use. ENERGY: 857000 763.2485 2033.8288 1924.3924 113.9334 -206167.8365 17600.2283 0.0000 0.0000 34096.1536 -149636.0514 297.7702 -183732.2050 -149540.4070 298.1592 -51.7124 -18.9836 555588.2653 7.3712 7.1511 PRESSURE: 857200 -200.149 -140.233 43.0901 -140.233 -0.160503 118.654 43.0904 118.654 -293.79 GPRESSURE: 857200 -132.026 -151.025 31.4641 -111.524 -29.5919 87.5771 90.1614 77.7979 -229.934 PRESSAVG: 857200 -14.1727 -33.9133 72.3638 -33.9134 -18.8725 -30.3117 72.3639 -30.3117 35.7022 GPRESSAVG: 857200 -14.7996 -34.9916 73.7623 -34.6932 -18.7246 -30.6681 72.7041 -31.2306 35.8241 TIMING: 857200 CPU: 2541.59, 0.0029864/step Wall: 2541.59, 0.0029864/step, 3.43668 hours remaining, 206.707031 MB of memory in use. ENERGY: 857200 754.9868 2056.3032 1948.7652 112.4876 -206341.0072 17678.5404 0.0000 0.0000 34176.2629 -149613.6612 298.4698 -183789.9241 -149517.3951 298.2123 -164.6997 -130.5170 557511.3408 0.8857 0.7666 PRESSURE: 857400 42.4926 -117.426 -69.184 -117.427 80.9488 -243.348 -69.1817 -243.348 40.5458 GPRESSURE: 857400 65.4758 -55.7909 -76.0082 -137.43 122.627 -207.705 -54.682 -187.372 75.6468 PRESSAVG: 857400 40.4174 -47.6905 22.0466 -47.6904 26.9558 -53.1618 22.0467 -53.1617 -42.4887 GPRESSAVG: 857400 41.1509 -48.4954 20.3446 -45.4385 25.9305 -52.1868 20.2938 -52.8099 -41.9171 TIMING: 857400 CPU: 2542.18, 0.00296725/step Wall: 2542.18, 0.00296725/step, 3.41449 hours remaining, 206.707031 MB of memory in use. ENERGY: 857400 688.5087 2115.0318 1969.8464 107.2377 -206489.0328 17758.6896 0.0000 0.0000 34069.7540 -149779.9645 297.5396 -183849.7185 -149676.8008 297.7957 54.6624 87.9165 556089.9159 8.2948 8.3881 PRESSURE: 857600 -6.93253 95.0354 98.9289 95.0355 213.835 -9.23557 98.9308 -9.23522 -83.1585 GPRESSURE: 857600 -23.7371 159.356 86.8222 53.1413 280.477 -28.32 222.741 -88.1128 -39.7172 PRESSAVG: 857600 78.8124 9.90922 -11.2705 9.90923 -41.3606 -52.0995 -11.2703 -52.0995 -72.0088 GPRESSAVG: 857600 79.3806 11.7212 -10.0331 8.31124 -41.2544 -53.8127 -12.6262 -52.6695 -72.1463 TIMING: 857600 CPU: 2542.78, 0.0029751/step Wall: 2542.78, 0.0029751/step, 3.42335 hours remaining, 206.707031 MB of memory in use. ENERGY: 857600 736.0096 2074.6074 1967.6565 106.2830 -206625.8158 17897.7928 0.0000 0.0000 33896.1299 -149947.3367 296.0233 -183843.4666 -149854.4169 297.6791 41.2481 72.3408 554564.9107 -11.5190 -11.3400 PRESSURE: 857800 -231.306 93.4383 4.92572 93.4392 -145.774 82.891 4.92257 82.8907 115.429 GPRESSURE: 857800 -186.756 76.7269 9.13703 165.8 -130.309 134.416 58.352 134.582 146.971 PRESSAVG: 857800 -17.6247 3.10253 11.6188 3.10247 50.0559 -2.6401 11.6188 -2.64016 -5.79065 GPRESSAVG: 857800 -18.4299 2.56294 8.89868 4.76885 49.2346 -2.41383 13.1422 -2.65774 -4.1004 TIMING: 857800 CPU: 2543.37, 0.00295447/step Wall: 2543.37, 0.00295447/step, 3.39945 hours remaining, 206.707031 MB of memory in use. ENERGY: 857800 743.4016 2039.2439 1934.3089 109.9848 -206200.1219 17615.1115 0.0000 0.0000 34026.0294 -149732.0418 297.1578 -183758.0712 -149631.0888 297.1036 -87.2171 -56.6981 556158.5016 8.8802 8.9014 PRESSURE: 858000 -94.4409 155.299 -106.59 155.3 88.9848 -24.4918 -106.59 -24.4938 -100.17 GPRESSURE: 858000 -16.4366 104.217 -151.396 152.97 131.251 -36.2762 -196.264 10.8327 -125.696 PRESSAVG: 858000 3.62588 -20.0201 -16.4294 -20.0202 -17.467 34.403 -16.4294 34.4031 -11.2075 GPRESSAVG: 858000 4.33454 -19.0812 -15.4177 -21.3866 -16.9086 35.7795 -15.8096 33.3961 -12.0434 TIMING: 858000 CPU: 2543.96, 0.00298155/step Wall: 2543.96, 0.00298155/step, 3.43044 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: 858000 741.4030 2070.2149 1961.4011 119.4813 -206931.6635 18065.5647 0.0000 0.0000 34284.3626 -149689.2359 299.4139 -183973.5985 -149593.8890 297.6757 -35.2086 -3.6270 556593.3187 -8.3495 -8.2058 PRESSURE: 858200 -57.56 68.4485 95.6933 68.4484 -141.256 77.3729 95.6937 77.373 -147.402 GPRESSURE: 858200 -14.6954 44.9459 46.2931 26.453 -126.677 109.863 92.5378 20.1246 -109.197 PRESSAVG: 858200 23.4034 -7.13372 10.9919 -7.13361 29.6882 30.4948 10.9919 30.4947 -67.416 GPRESSAVG: 858200 23.264 -6.64552 11.7738 -7.90933 30.9676 30.5326 11.3643 31.5035 -68.6297 TIMING: 858200 CPU: 2544.57, 0.00300411/step Wall: 2544.57, 0.00300411/step, 3.45622 hours remaining, 206.707031 MB of memory in use. ENERGY: 858200 749.4380 2077.4780 1927.5714 99.0756 -206471.1467 17642.6992 0.0000 0.0000 34307.0266 -149667.8577 299.6118 -183974.8843 -149569.4131 298.1467 -115.4060 -83.5229 555006.7857 -4.7748 -4.7994 PRESSURE: 858400 12.9404 67.1189 -6.01831 67.119 -355.149 -38.5163 -6.01888 -38.5146 -381.973 GPRESSURE: 858400 -21.4015 74.5269 -63.1425 -30.2719 -224.488 -23.6473 90.6738 -65.6377 -374.328 PRESSAVG: 858400 57.0547 22.0866 50.3669 22.0866 -37.9862 33.9576 50.3669 33.9577 -20.2024 GPRESSAVG: 858400 57.3264 20.2209 50.9802 23.1261 -39.0509 33.4513 49.2419 34.0236 -19.2563 TIMING: 858400 CPU: 2545.16, 0.00299833/step Wall: 2545.16, 0.00299833/step, 3.44942 hours remaining, 206.707031 MB of memory in use. ENERGY: 858400 746.6243 2094.8763 1954.3753 102.5241 -206424.8830 17721.2252 0.0000 0.0000 34167.0137 -149638.2440 298.3890 -183805.2577 -149546.2581 298.8552 -241.3937 -206.7390 556131.6092 -0.3780 -0.3269 PRESSURE: 858600 -82.6892 61.6642 32.6326 61.6663 25.9243 -81.8854 32.6319 -81.8873 -128.288 GPRESSURE: 858600 -50.6239 80.9157 94.9748 76.6626 51.5716 -63.642 72.3474 -106.724 -84.8233 PRESSAVG: 858600 35.3308 0.306665 12.0076 0.30669 -21.0702 -19.541 12.0077 -19.5411 -24.298 GPRESSAVG: 858600 35.0893 1.43297 13.221 -0.623347 -20.1934 -18.6089 9.81666 -21.6143 -24.8043 TIMING: 858600 CPU: 2545.76, 0.00299089/step Wall: 2545.76, 0.00299089/step, 3.44068 hours remaining, 206.707031 MB of memory in use. ENERGY: 858600 751.0094 2105.6806 1940.8024 103.7507 -206516.6013 17746.9061 0.0000 0.0000 34341.2792 -149527.1728 299.9109 -183868.4521 -149425.8715 298.7905 -61.6844 -27.9585 555575.0399 -3.3458 -3.3028 PRESSURE: 858800 -343.186 60.9417 -4.21628 60.9433 1.12584 26.6679 -4.21605 26.6669 -204.558 GPRESSURE: 858800 -286.199 13.0154 -20.9916 34.8348 44.4436 67.3146 84.4608 18.5773 -199.119 PRESSAVG: 858800 11.0114 -10.7514 28.9676 -10.7515 40.3441 -62.6331 28.9676 -62.6331 -60.8214 GPRESSAVG: 858800 11.1756 -11.9763 29.1993 -9.09559 38.9747 -63.9881 31.894 -60.6721 -59.5803 TIMING: 858800 CPU: 2546.36, 0.0029809/step Wall: 2546.36, 0.0029809/step, 3.42903 hours remaining, 206.707031 MB of memory in use. ENERGY: 858800 736.9021 2076.8418 1950.3675 113.0413 -206121.8986 17525.1331 0.0000 0.0000 34342.6005 -149377.0124 299.9225 -183719.6129 -149279.4130 299.3255 -182.2060 -146.9582 556996.9865 -3.1553 -3.1433 PRESSURE: 859000 23.8159 19.6441 -35.8849 19.6441 119.159 -19.18 -35.8849 -19.1797 75.4085 GPRESSURE: 859000 56.7688 -30.9587 -30.1323 31.3684 146.149 -57.1017 -28.0468 -5.47022 108.973 PRESSAVG: 859000 -52.9977 28.0326 3.01227 28.0326 55.2149 -12.9977 3.01218 -12.9977 -9.01439 GPRESSAVG: 859000 -53.1444 27.6973 1.63704 29.0382 55.0839 -11.593 4.28113 -13.4281 -9.11839 TIMING: 859000 CPU: 2546.96, 0.00298199/step Wall: 2546.96, 0.00298199/step, 3.43011 hours remaining, 206.707031 MB of memory in use. ENERGY: 859000 740.6422 2053.3797 1955.6807 112.9960 -206409.9074 17983.2983 0.0000 0.0000 34067.5200 -149496.3904 297.5201 -183563.9104 -149397.2974 298.3965 72.7946 103.9637 557284.6946 -2.2658 -2.3930 PRESSURE: 859200 -471.477 24.7614 60.5995 24.7622 -340.655 -75.5115 60.6002 -75.5121 -148.979 GPRESSURE: 859200 -406.443 0.779272 53.9276 42.3223 -345.731 -110.303 82.814 -92.0132 -111.151 PRESSAVG: 859200 -25.3607 3.96728 -25.5737 3.96721 27.7013 -29.0881 -25.5737 -29.088 23.4986 GPRESSAVG: 859200 -25.422 3.55099 -25.2387 3.10885 27.744 -29.0224 -26.7633 -27.6805 23.5327 TIMING: 859200 CPU: 2547.56, 0.0030203/step Wall: 2547.56, 0.0030203/step, 3.47402 hours remaining, 206.707031 MB of memory in use. ENERGY: 859200 739.3070 2091.4041 1932.2690 109.1377 -206057.3285 17361.9651 0.0000 0.0000 34290.2384 -149533.0071 299.4652 -183823.2455 -149429.7988 298.3467 -320.3706 -287.7754 559416.7153 8.6130 8.6182 PRESSURE: 859400 -159.891 -63.8186 -52.7572 -63.8198 79.0391 225.991 -52.7588 225.992 -115.404 GPRESSURE: 859400 -118.196 26.0192 -18.5612 -76.906 75.9743 157.426 -34.8887 234.359 -56.8128 PRESSAVG: 859400 32.8854 62.1987 -73.4605 62.1988 16.389 12.8733 -73.4604 12.8733 -33.1057 GPRESSAVG: 859400 32.4769 63.1734 -73.0545 60.0672 16.9878 13.5458 -72.7052 11.8687 -33.4309 TIMING: 859400 CPU: 2548.15, 0.00296857/step Wall: 2548.15, 0.00296857/step, 3.41435 hours remaining, 206.707031 MB of memory in use. ENERGY: 859400 743.9662 2114.5338 1948.5616 101.7516 -206341.0945 17739.7766 0.0000 0.0000 34284.2675 -149408.2372 299.4130 -183692.5047 -149316.2160 298.7768 -65.4188 -33.0114 558016.7090 5.3895 5.3446 PRESSURE: 859600 -404.849 155.889 195.043 155.889 -243.47 157.022 195.044 157.021 47.7958 GPRESSURE: 859600 -310.383 164.744 226.956 119.98 -236.809 114.153 153.614 181.755 36.7798 PRESSAVG: 859600 -44.1982 0.00509385 21.1292 0.00513612 -55.5183 -14.0954 21.1292 -14.0954 57.393 GPRESSAVG: 859600 -44.629 -0.566317 23.9419 0.125507 -56.0017 -15.1463 19.2808 -14.5935 57.9795 TIMING: 859600 CPU: 2548.75, 0.00298451/step Wall: 2548.75, 0.00298451/step, 3.43252 hours remaining, 206.707031 MB of memory in use. ENERGY: 859600 773.5190 2163.6951 1972.0847 109.3485 -206358.0250 17646.6095 0.0000 0.0000 34231.8808 -149460.8874 298.9555 -183692.7682 -149363.8051 298.8580 -200.1743 -170.1374 555853.2222 -14.1079 -14.2171 PRESSURE: 859800 46.1955 -29.966 219.091 -29.967 -145.534 38.0181 219.091 38.0172 -44.1693 GPRESSURE: 859800 49.1551 8.86941 230.666 -70.9806 -113.506 3.86142 180.242 81.7226 4.58488 PRESSAVG: 859800 -80.596 -28.1989 9.66838 -28.1989 8.00309 -17.5155 9.66836 -17.5154 82.0951 GPRESSAVG: 859800 -80.3996 -28.329 6.15625 -27.5564 7.98608 -15.296 10.8648 -19.5744 81.6667 TIMING: 859800 CPU: 2549.35, 0.00299282/step Wall: 2549.35, 0.00299282/step, 3.44191 hours remaining, 206.707031 MB of memory in use. ENERGY: 859800 740.2797 2036.5067 1973.4107 106.5740 -206013.7849 17672.5504 0.0000 0.0000 34141.8946 -149342.5688 298.1697 -183484.4634 -149246.4889 298.7409 -47.8359 -19.9220 557213.2457 3.1674 3.0844 PRESSURE: 860000 -74.8005 -85.2354 98.7202 -85.2352 114.358 53.0685 98.7215 53.0685 -115.271 GPRESSURE: 860000 -61.5925 -99.5345 -6.24882 -132.617 154.17 23.0944 91.9797 -29.4576 -72.2486 PRESSAVG: 860000 -4.24155 -33.0983 30.3221 -33.0982 -1.35753 17.4076 30.3221 17.4075 0.261081 GPRESSAVG: 860000 -4.03648 -32.5787 31.3284 -31.3383 -2.56964 16.0225 29.625 17.5796 1.1123 TIMING: 860000 CPU: 2549.94, 0.00296794/step Wall: 2549.94, 0.00296794/step, 3.41313 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: 860000 757.6641 2092.3521 1968.7271 109.7477 -206216.8886 17875.2209 0.0000 0.0000 34197.8458 -149215.3310 298.6583 -183413.1767 -149120.8512 298.6272 -25.2379 6.7762 557869.4020 -1.7793 -1.8313 PRESSURE: 860200 25.6845 -1.91198 199.655 -1.9122 -4.06862 6.22814 199.655 6.22697 -313.654 GPRESSURE: 860200 58.3714 43.7912 221.384 -54.6328 20.5564 -70.881 97.4192 68.4348 -280.537 PRESSAVG: 860200 68.6664 -13.7218 52.5 -13.7218 -38.7416 -25.7135 52.5 -25.7136 -51.2174 GPRESSAVG: 860200 67.7344 -14.5493 52.3453 -15.1333 -37.3402 -25.1055 54.0048 -24.5178 -52.1082 TIMING: 860200 CPU: 2550.53, 0.00294364/step Wall: 2550.53, 0.00294364/step, 3.38502 hours remaining, 206.707031 MB of memory in use. ENERGY: 860200 754.4010 2088.6477 1960.4816 127.5638 -206181.5559 17687.1210 0.0000 0.0000 34354.9424 -149208.3984 300.0303 -183563.3408 -149110.7615 298.7457 -97.3462 -67.2032 558082.1521 -7.0976 -7.2380 LDB: ============= START OF LOAD BALANCING ============== 2553.96 LDB: ============== END OF LOAD BALANCING =============== 2553.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2553.96 LDB: ============= START OF LOAD BALANCING ============== 2554.26 LDB: Largest compute 4848 load 0.031843 is 27.0% of average load 0.117821 LDB: Average compute 0.001743 is 1.5% of average load 0.117821 LDB: TIME 2554.26 LOAD: AVG 0.117821 MAX 0.195891 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.246 MB LDB: TIME 2554.26 LOAD: AVG 0.117821 MAX 0.195891 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.246 MB LDB: TIME 2554.26 LOAD: AVG 0.117821 MAX 0.195891 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2554.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2554.27 PRESSURE: 860400 244.156 67.3522 -59.857 67.3526 67.5832 35.4597 -59.8565 35.4615 222.352 GPRESSURE: 860400 226.125 32.949 -42.9104 34.1228 118.026 52.7808 -95.8846 -36.8162 292.509 PRESSAVG: 860400 43.9236 -14.0136 48.1818 -14.0136 -70.591 -41.7427 48.1818 -41.7426 -15.2835 GPRESSAVG: 860400 43.7121 -13.6821 49.3637 -14.2327 -71.3101 -42.5665 46.2508 -42.0178 -14.3598 TIMING: 860400 CPU: 2551.14, 0.00302495/step Wall: 2551.14, 0.00302495/step, 3.47836 hours remaining, 205.937500 MB of memory in use. ENERGY: 860400 714.4735 2097.2692 1956.2889 115.3342 -206542.0442 18149.9110 0.0000 0.0000 34129.5297 -149379.2377 298.0617 -183508.7674 -149284.7167 298.4540 178.0301 212.2200 557076.5635 -13.9837 -13.9859 PRESSURE: 860600 -41.9823 87.2335 35.5767 87.2343 104.274 -10.7427 35.5777 -10.742 -87.4487 GPRESSURE: 860600 2.52538 112.278 18.6014 29.4876 120.901 28.3922 56.622 55.5786 -56.17 PRESSAVG: 860600 9.72252 -12.5833 -29.0217 -12.5833 -37.5085 -5.4007 -29.0218 -5.40071 8.68893 GPRESSAVG: 860600 11.1402 -11.297 -30.1897 -12.3529 -38.3227 -6.18005 -29.0578 -4.27284 7.72681 TIMING: 860600 CPU: 2551.73, 0.00297999/step Wall: 2551.73, 0.00297999/step, 3.4265 hours remaining, 206.140625 MB of memory in use. ENERGY: 860600 726.7411 2123.8219 1940.3857 110.3116 -206103.7458 17743.0244 0.0000 0.0000 34069.8537 -149389.6076 297.5405 -183459.4613 -149287.4360 298.4541 -8.3858 22.4187 558718.7290 -6.3657 -6.4853 PRESSURE: 860800 103.91 24.3079 -229.639 24.3075 -112.961 -108.292 -229.638 -108.291 -207.038 GPRESSURE: 860800 124.334 59.1913 -253.209 35.5694 -125.461 11.6741 -128.687 -144.888 -125.074 PRESSAVG: 860800 63.8179 24.8987 -37.0638 24.8986 -69.6437 -64.8623 -37.0637 -64.8622 -37.7139 GPRESSAVG: 860800 64.285 24.2865 -36.0729 24.7267 -69.6229 -62.856 -35.8852 -66.7592 -37.9687 TIMING: 860800 CPU: 2552.33, 0.00299406/step Wall: 2552.33, 0.00299406/step, 3.4425 hours remaining, 206.140625 MB of memory in use. ENERGY: 860800 767.9257 2126.7744 1964.8012 107.5877 -206636.3624 17963.0921 0.0000 0.0000 34122.8450 -149583.3361 298.0033 -183706.1811 -149480.9024 297.4752 -72.0297 -42.0669 558025.0246 -14.5132 -14.4355 PRESSURE: 861000 -139.387 -75.9653 125.616 -75.9653 48.0274 -40.2675 125.615 -40.2686 246.263 GPRESSURE: 861000 -100.434 -99.412 89.4523 -112.354 86.139 -27.6924 128.361 -71.0753 283.293 PRESSAVG: 861000 7.94192 12.5117 16.831 12.5118 -10.9857 5.15617 16.831 5.15614 46.7546 GPRESSAVG: 861000 7.12371 10.0407 16.833 13.7476 -9.95022 4.04671 16.9062 6.8258 46.9041 TIMING: 861000 CPU: 2552.93, 0.00299078/step Wall: 2552.93, 0.00299078/step, 3.43857 hours remaining, 206.140625 MB of memory in use. ENERGY: 861000 763.4613 2034.9094 1967.8386 111.4645 -206509.3806 18036.2810 0.0000 0.0000 34009.0893 -149586.3365 297.0098 -183595.4258 -149495.1494 297.8381 51.6345 89.6662 558676.6776 14.5703 14.6925 PRESSURE: 861200 76.2174 51.4513 70.4563 51.4514 39.6668 72.0037 70.458 72.0035 88.8841 GPRESSURE: 861200 84.8331 163.748 132.819 6.3321 64.3147 80.1158 16.381 -11.588 152.378 PRESSAVG: 861200 -34.5167 3.49466 -25.9272 3.49468 -35.1601 -21.2352 -25.9272 -21.2353 51.7031 GPRESSAVG: 861200 -34.3331 7.30695 -27.0382 1.35348 -36.0296 -20.5359 -25.3476 -21.7651 51.9061 TIMING: 861200 CPU: 2553.53, 0.00298596/step Wall: 2553.53, 0.00298596/step, 3.43286 hours remaining, 206.140625 MB of memory in use. ENERGY: 861200 719.7573 2075.5308 1962.9430 109.1457 -206381.2255 18075.8184 0.0000 0.0000 33872.6418 -149565.3884 295.8182 -183438.0302 -149469.2615 297.6204 68.2561 100.5086 558474.7268 -5.9912 -6.1522 PRESSURE: 861400 -256.029 -83.9442 -27.4003 -83.9448 -17.362 15.1312 -27.4 15.131 49.2737 GPRESSURE: 861400 -234.593 -39.1599 -22.8589 -102.828 -23.7594 7.27362 -4.59546 63.8055 127.757 PRESSAVG: 861400 -60.9188 -5.35721 -13.4913 -5.3572 -1.88812 2.66611 -13.4915 2.66609 91.9783 GPRESSAVG: 861400 -63.1771 -6.99148 -12.6999 -4.55134 -1.63118 2.90642 -14.6539 2.33058 93.3861 TIMING: 861400 CPU: 2554.13, 0.00302049/step Wall: 2554.13, 0.00302049/step, 3.47238 hours remaining, 206.140625 MB of memory in use. ENERGY: 861400 724.6102 2078.1135 1984.5083 118.5113 -206367.2922 17875.0058 0.0000 0.0000 34023.3856 -149563.1575 297.1347 -183586.5431 -149473.8533 298.1836 -74.7059 -43.5319 557828.0013 9.7238 9.5260 PRESSURE: 861600 146.857 85.844 -62.0963 85.8457 45.7214 15.6735 -62.0971 15.6739 50.4783 GPRESSURE: 861600 203.029 109.079 -38.519 84.6006 96.2509 -30.9052 -27.171 -30.0229 35.9019 PRESSAVG: 861600 -99.423 44.5426 -55.0424 44.5424 15.29 -2.85298 -55.0424 -2.85301 91.6717 GPRESSAVG: 861600 -98.2912 45.7251 -54.498 44.6743 15.525 -4.44253 -54.4926 -1.88076 89.9634 TIMING: 861600 CPU: 2554.73, 0.00299067/step Wall: 2554.73, 0.00299067/step, 3.43794 hours remaining, 206.140625 MB of memory in use. ENERGY: 861600 726.3729 1998.2790 1975.4002 110.8712 -206340.3001 17805.8406 0.0000 0.0000 34226.4753 -149497.0609 298.9083 -183723.5362 -149403.5722 298.1475 81.0189 111.7274 556871.1264 2.5129 2.3990 PRESSURE: 861800 -201.948 -63.2642 5.06926 -63.2652 90.6019 139.24 5.06679 139.242 181.941 GPRESSURE: 861800 -149.956 -108.413 -103.242 -0.369564 134.684 42.6813 44.0442 96.7842 184.585 PRESSAVG: 861800 -34.6893 36.8355 -33.3819 36.8354 -21.4248 34.7073 -33.3819 34.7073 78.7701 GPRESSAVG: 861800 -33.707 35.7972 -33.5051 37.6231 -22.3826 34.776 -33.2278 34.1268 78.9878 TIMING: 861800 CPU: 2555.33, 0.00302539/step Wall: 2555.33, 0.00302539/step, 3.47769 hours remaining, 206.140625 MB of memory in use. ENERGY: 861800 717.8442 2017.5692 1975.9096 113.9052 -206380.4509 17801.4750 0.0000 0.0000 34216.1720 -149537.5758 298.8183 -183753.7478 -149444.2856 298.4420 23.5316 56.4380 556369.3535 7.5520 7.6327 PRESSURE: 862000 72.5742 -16.2148 -190.794 -16.215 203.051 72.149 -190.793 72.1508 226.801 GPRESSURE: 862000 96.3209 63.0371 -102.116 -29.239 189.522 125.792 -185.506 93.1725 319.539 PRESSAVG: 862000 -41.7998 -80.9 -30.8504 -80.8999 16.4567 44.7567 -30.8504 44.7569 35.5296 GPRESSAVG: 862000 -42.4177 -79.7441 -31.0238 -82.0315 16.5144 45.5136 -32.8708 45.9079 35.9648 TIMING: 862000 CPU: 2555.94, 0.00301239/step Wall: 2555.94, 0.00301239/step, 3.46258 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: 862000 704.2752 2101.7845 1940.9476 103.7732 -206460.0054 17913.9268 0.0000 0.0000 34180.7692 -149514.5289 298.5092 -183695.2982 -149411.3695 297.9955 167.4755 201.7938 557589.6082 3.3955 3.3538 PRESSURE: 862200 -171.852 -29.24 27.1678 -29.2394 104.244 -31.0595 27.1677 -31.0599 20.1091 GPRESSURE: 862200 -129.971 -3.69334 49.2714 -36.1094 147.954 -66.9435 173.195 32.7449 36.6507 PRESSAVG: 862200 -45.8618 35.2483 21.5211 35.2483 20.8047 11.3998 21.5211 11.3998 -5.06339 GPRESSAVG: 862200 -45.5745 33.6886 20.603 35.0807 21.5881 11.2421 21.872 10.1588 -6.45974 TIMING: 862200 CPU: 2556.54, 0.00299656/step Wall: 2556.54, 0.00299656/step, 3.44422 hours remaining, 206.140625 MB of memory in use. ENERGY: 862200 717.4113 2105.3452 1965.7331 110.8244 -206316.6177 17944.0274 0.0000 0.0000 34014.4277 -149458.8486 297.0565 -183473.2763 -149360.7256 298.4440 -15.8331 18.2112 557910.7596 -10.0402 -10.1487 PRESSURE: 862400 -239.989 -76.7241 -80.2367 -76.7239 -86.6464 -91.5313 -80.2358 -91.5318 -198.533 GPRESSURE: 862400 -170.421 -61.148 -126.9 -105.3 -56.3563 -107.466 -161.756 -68.4665 -200.823 PRESSAVG: 862400 -0.349215 -8.89288 -21.7654 -8.89286 26.1247 -24.4885 -21.7655 -24.4885 -7.87118 GPRESSAVG: 862400 -0.0876164 -7.84732 -21.447 -9.45182 26.2665 -23.7685 -22.0599 -24.8618 -7.95967 TIMING: 862400 CPU: 2557.13, 0.00296096/step Wall: 2557.13, 0.00296096/step, 3.40313 hours remaining, 206.140625 MB of memory in use. ENERGY: 862400 753.3408 2107.3189 1953.0337 124.3066 -206154.3368 17629.8297 0.0000 0.0000 34210.0483 -149376.4588 298.7649 -183586.5071 -149280.3352 298.3673 -175.0564 -142.5334 558649.5986 5.9681 6.0731 PRESSURE: 862600 -162.549 -0.872352 -50.6111 -0.872706 149.468 -131.893 -50.6098 -131.893 128.97 GPRESSURE: 862600 -156.168 58.4308 -115.904 -84.9977 226.678 -123.515 6.4593 -177.7 147.371 PRESSAVG: 862600 -57.4364 11.6744 21.909 11.6743 19.1564 -47.1868 21.909 -47.1868 32.78 GPRESSAVG: 862600 -57.3492 10.4335 20.2348 11.1211 18.5278 -46.7561 22.1525 -47.2029 33.5976 TIMING: 862600 CPU: 2557.73, 0.00299525/step Wall: 2557.73, 0.00299525/step, 3.44238 hours remaining, 206.140625 MB of memory in use. ENERGY: 862600 729.8807 2080.0165 1942.2764 117.5472 -206411.8028 17972.5235 0.0000 0.0000 34042.6833 -149526.8752 297.3032 -183569.5585 -149420.2553 298.8203 38.6297 72.6272 557147.8227 -1.8333 -1.7413 PRESSURE: 862800 -151.322 45.8705 15.2199 45.871 86.6482 157.993 15.2204 157.993 -39.6206 GPRESSURE: 862800 -87.9641 44.9555 -40.4577 -9.75322 30.3202 144.128 16.994 138.774 57.5322 PRESSAVG: 862800 -26.6308 25.21 53.7792 25.21 -1.08358 -9.92213 53.7792 -9.92206 22.4049 GPRESSAVG: 862800 -27.6745 25.6463 54.0424 24.6256 -0.65939 -10.133 53.7582 -10.1251 23.3163 TIMING: 862800 CPU: 2558.33, 0.00299246/step Wall: 2558.33, 0.00299246/step, 3.43901 hours remaining, 206.140625 MB of memory in use. ENERGY: 862800 752.5474 2130.5668 1950.2813 108.5440 -206708.1447 17941.4501 0.0000 0.0000 34415.0436 -149409.7115 300.5551 -183824.7551 -149311.4877 298.8483 -34.7649 -0.0372 556787.6507 -1.7698 -1.6726 PRESSURE: 863000 -131.108 59.4773 40.0362 59.478 -180.787 -57.8935 40.0362 -57.8931 8.78551 GPRESSURE: 863000 -101.57 24.0129 126.936 38.9796 -166.241 17.487 52.5455 -75.2103 63.4062 PRESSAVG: 863000 -33.9757 -28.4952 30.8751 -28.4953 -17.815 -60.5547 30.875 -60.5546 73.1466 GPRESSAVG: 863000 -33.0017 -28.6433 32.7467 -27.0258 -19.2791 -61.6735 30.5139 -59.2968 73.7835 TIMING: 863000 CPU: 2558.93, 0.0030094/step Wall: 2558.93, 0.0030094/step, 3.45831 hours remaining, 206.140625 MB of memory in use. ENERGY: 863000 787.7734 2137.5498 1949.0596 116.7478 -206422.1278 17803.8032 0.0000 0.0000 34399.8621 -149227.3319 300.4226 -183627.1940 -149129.4454 299.4742 -101.0366 -68.1350 556139.2998 7.1187 7.1675 PRESSURE: 863200 -34.2202 -23.0976 46.7025 -23.0971 -36.5472 -62.5318 46.7031 -62.5296 -12.3512 GPRESSURE: 863200 30.6516 -37.4165 88.247 31.9609 -12.2382 1.08802 -19.2148 -69.1252 2.7112 PRESSAVG: 863200 27.3581 -11.9932 -10.563 -11.9931 -37.4346 -25.5469 -10.5629 -25.5467 39.1156 GPRESSAVG: 863200 27.709 -11.4987 -11.9604 -11.1236 -36.8308 -24.4602 -9.59781 -26.9742 38.4434 TIMING: 863200 CPU: 2559.52, 0.0029896/step Wall: 2559.52, 0.0029896/step, 3.43538 hours remaining, 206.140625 MB of memory in use. ENERGY: 863200 779.2571 2080.7475 1928.7811 113.6611 -206355.7376 17813.3542 0.0000 0.0000 34424.8252 -149215.1114 300.6406 -183639.9366 -149117.9249 299.5631 -27.7062 7.0415 556608.5285 9.6797 9.7739 PRESSURE: 863400 -60.704 56.2571 -22.8689 56.2572 266.644 -10.9534 -22.8701 -10.9527 176.021 GPRESSURE: 863400 22.6954 65.6256 -50.4247 1.41681 292.562 16.8481 31.6171 -2.13365 168.737 PRESSAVG: 863400 11.9096 -56.6617 -30.8253 -56.6618 0.819675 24.4646 -30.8253 24.4646 59.0785 GPRESSAVG: 863400 12.4059 -57.8513 -30.5697 -57.43 1.1926 25.4909 -32.8727 23.8055 58.4574 TIMING: 863400 CPU: 2560.12, 0.00295576/step Wall: 2560.12, 0.00295576/step, 3.39633 hours remaining, 206.140625 MB of memory in use. ENERGY: 863400 775.6800 2082.0170 1952.7661 115.6133 -206423.8356 18092.9985 0.0000 0.0000 34191.3286 -149213.4322 298.6014 -183404.7608 -149118.4613 300.2489 127.3201 161.3316 557380.2810 23.9359 24.0186 PRESSURE: 863600 10.3638 -79.9732 -75.6134 -79.9726 75.2888 -128.034 -75.6141 -128.032 -23.2739 GPRESSURE: 863600 73.3344 -143.194 -58.1374 -44.6222 70.2948 -120.415 -58.8537 -180.036 23.2108 PRESSAVG: 863600 -14.2713 5.99401 -11.9542 5.99409 -23.9603 8.36908 -11.9541 8.36903 30.9948 GPRESSAVG: 863600 -15.0467 6.83051 -11.4087 4.88169 -23.6127 8.46696 -11.4714 9.60057 31.6374 TIMING: 863600 CPU: 2560.72, 0.00300548/step Wall: 2560.72, 0.00300548/step, 3.4533 hours remaining, 206.140625 MB of memory in use. ENERGY: 863600 756.6632 2205.9450 1961.3776 98.9746 -206404.6093 17814.5472 0.0000 0.0000 34423.4042 -149143.6975 300.6282 -183567.1017 -149049.7323 299.6202 20.7929 55.6133 556227.0869 -2.4123 -2.3407 PRESSURE: 863800 114.998 -57.1734 220.571 -57.1731 -108.695 -102.701 220.57 -102.701 130.812 GPRESSURE: 863800 180.583 82.9228 206.884 -42.7753 -98.8562 13.6239 200.528 -153.054 134.163 PRESSAVG: 863800 29.9959 -20.7229 -27.9564 -20.7228 -1.33118 -30.1545 -27.9564 -30.1545 -13.0364 GPRESSAVG: 863800 29.8585 -20.6609 -27.879 -20.9866 -1.63191 -31.3727 -29.4488 -29.8782 -12.3553 TIMING: 863800 CPU: 2561.31, 0.00298397/step Wall: 2561.31, 0.00298397/step, 3.42842 hours remaining, 206.140625 MB of memory in use. ENERGY: 863800 743.1801 2124.2405 1980.1357 119.9390 -206306.2350 17927.9001 0.0000 0.0000 34255.2726 -149155.5670 299.1598 -183410.8396 -149056.4341 299.7410 45.7048 71.9633 558711.9693 5.2095 5.2904 PRESSURE: 864000 -146.149 -84.1444 -39.7248 -84.1447 -49.6994 -50.0566 -39.7267 -50.0561 -250.793 GPRESSURE: 864000 -84.5504 -124.694 -15.6347 -81.8504 20.576 -3.99542 63.9437 -82.2283 -289.024 PRESSAVG: 864000 6.00842 -46.6201 2.45278 -46.62 14.0147 27.3141 2.45281 27.3141 24.1431 GPRESSAVG: 864000 7.38588 -47.5062 1.15989 -45.8709 14.1456 27.5943 5.77963 25.553 23.3585 TIMING: 864000 CPU: 2561.9, 0.002954/step Wall: 2561.9, 0.002954/step, 3.39382 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: 864000 794.3439 2124.3602 1968.1002 111.2685 -206331.1589 17758.1759 0.0000 0.0000 34228.3441 -149346.5661 298.9246 -183574.9102 -149245.9430 299.3454 -148.8803 -117.6660 557211.5509 14.7221 14.9633 PRESSURE: 864200 -145.644 54.16 81.0372 54.1611 127.321 152.006 81.0387 152.005 -125.436 GPRESSURE: 864200 -117.426 142.416 69.098 -1.17654 136.434 186.496 17.004 103.883 -71.2007 PRESSAVG: 864200 -19.7532 14.2708 -7.12293 14.2708 31.7327 1.33934 -7.12285 1.33937 -29.9615 GPRESSAVG: 864200 -19.3671 14.0391 -6.28441 15.6115 31.7816 2.88373 -8.63009 1.90951 -29.8918 TIMING: 864200 CPU: 2562.5, 0.00296369/step Wall: 2562.5, 0.00296369/step, 3.40479 hours remaining, 206.140625 MB of memory in use. ENERGY: 864200 769.7699 2109.9178 1964.2987 104.8108 -206564.5343 17797.7639 0.0000 0.0000 34540.6080 -149277.3652 301.6517 -183817.9732 -149180.1478 299.3661 -47.9197 -17.3976 556802.3645 -5.9940 -5.8258 LDB: ============= START OF LOAD BALANCING ============== 2565.92 LDB: ============== END OF LOAD BALANCING =============== 2565.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2565.93 LDB: ============= START OF LOAD BALANCING ============== 2566.22 LDB: Largest compute 4848 load 0.030513 is 25.9% of average load 0.117765 LDB: Average compute 0.001737 is 1.5% of average load 0.117765 LDB: TIME 2566.23 LOAD: AVG 0.117765 MAX 0.195844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 2566.23 LOAD: AVG 0.117765 MAX 0.195844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.746 MB LDB: TIME 2566.23 LOAD: AVG 0.117765 MAX 0.195844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.746 MB LDB: ============== END OF LOAD BALANCING =============== 2566.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2566.23 PRESSURE: 864400 231.145 -117.554 -100.119 -117.555 385.705 136.633 -100.119 136.633 -241.979 GPRESSURE: 864400 233.264 -135.574 -40.8205 -54.9756 412.117 24.0978 -92.0467 112.396 -163.989 PRESSAVG: 864400 -2.53122 24.0524 -1.29798 24.0524 36.6912 29.6252 -1.2979 29.6253 -67.1673 GPRESSAVG: 864400 -3.3892 24.7594 -1.15794 23.2852 37.4939 26.982 -1.09012 29.5908 -66.7527 TIMING: 864400 CPU: 2563.1, 0.00303493/step Wall: 2563.1, 0.00303493/step, 3.48646 hours remaining, 207.218750 MB of memory in use. ENERGY: 864400 747.2556 2135.3909 1929.2507 117.3813 -206545.4438 18143.3267 0.0000 0.0000 34092.8059 -149380.0328 297.7410 -183472.8387 -149280.1642 299.5281 124.9570 160.4641 557255.8615 -11.0025 -10.8827 PRESSURE: 864600 -64.7266 -179 -69.0898 -178.999 -268.064 26.3944 -69.0907 26.3953 46.7446 GPRESSURE: 864600 -11.1716 -155.841 -22.0608 -180.069 -246.647 -96.0577 -106.501 35.6442 61.7283 PRESSAVG: 864600 1.13628 16.1738 18.7916 16.1738 14.9644 28.8143 18.7916 28.8143 35.0162 GPRESSAVG: 864600 0.896419 13.233 19.3904 16.2699 15.1475 30.2546 16.0817 28.5958 34.1788 TIMING: 864600 CPU: 2563.7, 0.00296486/step Wall: 2563.7, 0.00296486/step, 3.4058 hours remaining, 207.218750 MB of memory in use. ENERGY: 864600 756.2023 2105.9161 1939.8942 123.8968 -206664.6389 17877.1374 0.0000 0.0000 34358.1435 -149503.4487 300.0582 -183861.5921 -149408.4663 298.5301 -95.3486 -65.3633 556742.2277 17.0390 16.7409 PRESSURE: 864800 191.497 138.361 133.197 138.361 164.045 33.0979 133.196 33.0979 82.2327 GPRESSURE: 864800 207.571 77.9775 105.619 236.168 204.915 34.0522 132.67 15.347 121.359 PRESSAVG: 864800 -28.9902 -4.47949 -10.3484 -4.47942 25.1924 7.44859 -10.3483 7.44857 51.6813 GPRESSAVG: 864800 -29.1586 -0.158277 -10.4536 -5.26105 23.8968 5.06718 -7.86634 9.02237 52.9645 TIMING: 864800 CPU: 2564.29, 0.00295927/step Wall: 2564.29, 0.00295927/step, 3.39922 hours remaining, 207.218750 MB of memory in use. ENERGY: 864800 736.3457 2080.9831 1962.2227 112.0990 -206512.0609 17902.9134 0.0000 0.0000 34109.3602 -149608.1369 297.8855 -183717.4970 -149506.5788 298.5449 145.9250 177.9483 555534.4507 15.9612 15.9009 PRESSURE: 865000 12.7932 154.573 31.9204 154.573 211.199 -53.6781 31.9201 -53.68 -252.71 GPRESSURE: 865000 80.7938 79.225 59.729 201.179 206.842 -61.9746 11.6746 12.2017 -224.047 PRESSAVG: 865000 -75.5575 2.48618 27.1303 2.48617 13.701 -36.0776 27.1302 -36.0776 77.08 GPRESSAVG: 865000 -73.4447 -2.19111 26.7343 3.973 12.8034 -34.2327 27.1326 -36.6492 76.1061 TIMING: 865000 CPU: 2564.88, 0.00296929/step Wall: 2564.88, 0.00296929/step, 3.41055 hours remaining, 207.218750 MB of memory in use. ENERGY: 865000 747.8681 2077.4833 1948.2070 114.2191 -206365.7524 17764.7006 0.0000 0.0000 33985.1656 -149728.1087 296.8009 -183713.2743 -149634.6298 297.6546 -9.5723 21.1962 555952.3072 5.0745 5.1549 PRESSURE: 865200 -95.8728 41.9312 90.4575 41.9299 -128.742 51.5901 90.4596 51.5901 -253.491 GPRESSURE: 865200 -83.7593 -25.9878 33.2379 83.2457 -91.759 93.1161 100.992 -13.8225 -206.129 PRESSAVG: 865200 39.3111 31.2365 7.51926 31.2366 1.45271 -47.1672 7.51939 -47.1672 -61.4132 GPRESSAVG: 865200 38.1354 34.2776 7.28214 29.9688 2.48968 -46.3194 6.10213 -49.2676 -61.5694 TIMING: 865200 CPU: 2565.47, 0.00295339/step Wall: 2565.47, 0.00295339/step, 3.39213 hours remaining, 207.218750 MB of memory in use. ENERGY: 865200 771.4871 2056.5081 1964.0454 120.9456 -206356.4555 17658.4959 0.0000 0.0000 34159.3032 -149625.6702 298.3217 -183784.9734 -149524.2962 297.8670 -159.3687 -127.2157 556821.2255 -6.8831 -6.9814 PRESSURE: 865400 -75.6363 -77.7597 8.01098 -77.7605 185.525 -21.0751 8.01282 -21.075 206.913 GPRESSURE: 865400 -17.0741 -122.825 47.263 -138.444 182.542 103.797 -37.1705 -115.771 235.406 PRESSAVG: 865400 -2.16089 -26.856 -5.74737 -26.856 14.4291 -15.5201 -5.74735 -15.5202 -28.1935 GPRESSAVG: 865400 -0.696878 -29.5072 -5.24849 -22.5308 13.2912 -15.3317 -6.93719 -14.0757 -29.2754 TIMING: 865400 CPU: 2566.07, 0.00296058/step Wall: 2566.07, 0.00296058/step, 3.40023 hours remaining, 207.218750 MB of memory in use. ENERGY: 865400 704.2829 2141.1689 1932.0157 93.0448 -206527.1054 18020.6300 0.0000 0.0000 34162.9034 -149473.0598 298.3531 -183635.9632 -149377.3356 298.0857 105.6005 133.6243 557475.3814 -5.3084 -5.5604 PRESSURE: 865600 163.554 108.009 -88.0263 108.01 21.314 39.0617 -88.0276 39.0607 143.082 GPRESSURE: 865600 214.342 30.5424 -64.849 124.266 71.6204 -1.67635 -139.237 90.2977 134.845 PRESSAVG: 865600 -43.3988 -32.9382 4.37749 -32.9384 41.1986 22.5394 4.37749 22.5394 -40.1688 GPRESSAVG: 865600 -42.4757 -31.6395 4.07232 -36.3537 39.8539 20.5737 4.27924 22.9404 -39.8166 TIMING: 865600 CPU: 2566.66, 0.00295581/step Wall: 2566.66, 0.00295581/step, 3.39459 hours remaining, 207.218750 MB of memory in use. ENERGY: 865600 709.6296 2076.9461 1956.8529 129.5014 -206625.6000 17949.9099 0.0000 0.0000 34506.4345 -149296.3257 301.3533 -183802.7602 -149199.9076 298.3166 109.3168 140.2690 557324.0989 -14.1230 -14.1461 PRESSURE: 865800 120.512 -57.8646 35.282 -57.8641 18.9728 95.7296 35.2821 95.7299 118.873 GPRESSURE: 865800 108.539 -130.849 53.5843 -141.302 107.318 190.6 20.5168 4.59326 142.816 PRESSAVG: 865800 -56.0558 -23.8037 42.354 -23.8036 -8.87328 35.3215 42.3541 35.3216 80.2599 GPRESSAVG: 865800 -57.206 -24.2687 42.081 -24.0701 -7.53336 35.151 43.1578 35.0863 80.3913 TIMING: 865800 CPU: 2567.25, 0.00296606/step Wall: 2567.25, 0.00296606/step, 3.40619 hours remaining, 207.218750 MB of memory in use. ENERGY: 865800 764.8453 2089.2302 1931.5367 104.3942 -206197.8288 17855.3433 0.0000 0.0000 34152.0721 -149300.4070 298.2585 -183452.4790 -149203.5199 298.5736 86.1194 119.5578 556772.8014 5.1103 5.2173 PRESSURE: 866000 -413.671 29.3148 -113.529 29.3153 -87.0183 -121.585 -113.529 -121.585 -133.201 GPRESSURE: 866000 -345.937 -7.9078 -95.032 13.7722 -126.186 -151.922 -43.3948 -96.2258 -69.8575 PRESSAVG: 866000 -54.6366 32.4996 57.4801 32.4995 37.5243 6.61998 57.4801 6.61991 2.4234 GPRESSAVG: 866000 -54.2815 33.2643 56.8065 33.4506 38.1328 8.86704 58.7601 5.33009 1.69719 TIMING: 866000 CPU: 2567.85, 0.00298153/step Wall: 2567.85, 0.00298153/step, 3.42379 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: 866000 782.6064 2095.9674 1937.3137 106.9556 -205761.8491 17498.8270 0.0000 0.0000 34107.3760 -149232.8031 297.8682 -183340.1791 -149138.4835 298.9974 -211.2966 -180.6600 556306.3283 -4.8963 -4.8172 PRESSURE: 866200 4.3766 63.6317 -42.8146 63.6327 -20.7387 60.0557 -42.8143 60.0578 -5.67099 GPRESSURE: 866200 94.9782 73.7079 -91.4939 55.8361 -9.57779 63.1465 4.44695 57.0508 -17.8846 PRESSAVG: 866200 -37.9041 15.0334 -21.491 15.0333 10.4628 -37.4409 -21.4909 -37.4406 2.06537 GPRESSAVG: 866200 -37.6665 14.7864 -21.0164 14.0954 10.32 -36.5836 -24.8222 -35.5375 2.11285 TIMING: 866200 CPU: 2568.44, 0.00296597/step Wall: 2568.44, 0.00296597/step, 3.40575 hours remaining, 207.218750 MB of memory in use. ENERGY: 866200 754.4079 2112.8872 1951.8798 114.3141 -206228.3352 17730.4453 0.0000 0.0000 34363.0249 -149201.3760 300.1008 -183564.4008 -149108.9558 299.3392 -7.3444 22.5053 556909.6482 -8.4587 -8.4112 PRESSURE: 866400 32.0338 -37.5548 200.671 -37.5542 -204.383 109.315 200.669 109.316 -94.1359 GPRESSURE: 866400 57.3433 -42.3042 205.84 -39.4084 -137.573 112.064 172.986 170.255 -83.5738 PRESSAVG: 866400 7.25087 6.53055 -13.6218 6.53057 -41.2481 25.3065 -13.6219 25.3063 23.0944 GPRESSAVG: 866400 7.10676 7.20205 -14.5916 7.57845 -42.0303 23.8713 -12.5307 26.381 23.6557 TIMING: 866400 CPU: 2569.03, 0.00295938/step Wall: 2569.03, 0.00295938/step, 3.39803 hours remaining, 207.218750 MB of memory in use. ENERGY: 866400 796.6470 2118.8353 1954.2913 126.6783 -206093.8875 17674.0621 0.0000 0.0000 34415.4768 -149007.8968 300.5589 -183423.3736 -148913.8712 299.7454 -88.8284 -54.6012 557293.8992 -3.6343 -3.7560 PRESSURE: 866600 -108.829 194.323 -55.5169 194.323 -336.494 271.945 -55.5171 271.944 -35.3252 GPRESSURE: 866600 -104.706 226.365 -11.3945 209.179 -290.73 254.496 -157.992 235.634 7.21449 PRESSAVG: 866600 -40.9035 -3.06003 -5.7889 -3.06002 -7.19268 33.0564 -5.78888 33.0563 54.2731 GPRESSAVG: 866600 -42.5104 -3.0444 -6.51618 -3.32224 -6.144 33.1179 -4.84878 34.3435 54.4652 TIMING: 866600 CPU: 2569.63, 0.00298001/step Wall: 2569.63, 0.00298001/step, 3.42155 hours remaining, 207.218750 MB of memory in use. ENERGY: 866600 766.5741 2076.9594 1949.6882 108.2697 -205720.5152 17497.7832 0.0000 0.0000 34342.9943 -148978.2464 299.9259 -183321.2406 -148887.2031 300.3624 -160.2158 -129.4073 556935.0386 2.0590 1.9369 PRESSURE: 866800 -188.124 -19.1879 92.498 -19.1874 175.608 -49.9559 92.4976 -49.9569 97.568 GPRESSURE: 866800 -180.493 -73.3356 43.9089 64.1078 149.49 -46.2433 207.828 -62.7552 204.233 PRESSAVG: 866800 -11.7313 -2.81749 -48.4895 -2.8174 1.54708 90.5664 -48.4895 90.5664 -17.6634 GPRESSAVG: 866800 -10.8261 -3.72588 -46.9264 -2.29728 2.44144 90.5273 -49.1188 89.6108 -19.5904 TIMING: 866800 CPU: 2570.22, 0.00298014/step Wall: 2570.22, 0.00298014/step, 3.42153 hours remaining, 207.218750 MB of memory in use. ENERGY: 866800 736.4629 2061.3781 1946.6658 110.6856 -206011.8564 17780.5746 0.0000 0.0000 34359.4854 -149016.6039 300.0699 -183376.0894 -148919.4524 299.9212 28.3509 57.7434 558388.4409 -9.2825 -9.3250 PRESSURE: 867000 -62.3367 -80.97 -18.5078 -80.9703 -12.0061 39.3238 -18.5061 39.3236 10.6908 GPRESSURE: 867000 3.79267 -109.907 -87.9189 -7.64029 16.8385 -13.1287 -21.016 80.7985 26.8515 PRESSAVG: 867000 -17.1615 -21.708 -13.0906 -21.708 -19.1773 22.7861 -13.0905 22.7861 58.773 GPRESSAVG: 867000 -17.2229 -21.1752 -12.7996 -21.3648 -19.7957 22.2981 -12.0221 22.4159 59.6197 TIMING: 867000 CPU: 2570.82, 0.00296927/step Wall: 2570.82, 0.00296927/step, 3.40888 hours remaining, 207.218750 MB of memory in use. ENERGY: 867000 760.4545 2080.0247 1942.9719 107.4597 -206099.0430 17752.4969 0.0000 0.0000 34230.1083 -149225.5271 298.9400 -183455.6354 -149126.4249 300.3154 -21.2173 15.8276 557172.0472 7.4781 7.5337 PRESSURE: 867200 -239.142 -49.4464 88.2212 -49.4471 30.8507 -61.6339 88.2207 -61.6349 39.0625 GPRESSURE: 867200 -189.328 -34.4411 188.752 -16.1834 -14.1182 -28.3848 68.2426 -53.3284 121.786 PRESSAVG: 867200 -11.3436 -20.2707 -4.99623 -20.2708 -3.12258 -14.9782 -4.99634 -14.9783 71.266 GPRESSAVG: 867200 -12.4047 -20.1515 -5.04524 -21.2478 -3.61751 -15.477 -6.59074 -16.3004 72.6045 TIMING: 867200 CPU: 2571.42, 0.00299334/step Wall: 2571.42, 0.00299334/step, 3.43636 hours remaining, 207.218750 MB of memory in use. ENERGY: 867200 744.3230 2145.1301 1942.6907 106.6013 -205705.8666 17556.8412 0.0000 0.0000 34053.9118 -149156.3684 297.4013 -183210.2802 -149063.4770 299.1937 -56.4095 -27.2201 557483.9997 18.9333 18.8608 PRESSURE: 867400 -77.526 54.8887 18.6701 54.8902 -215.613 90.8017 18.6707 90.8014 238.723 GPRESSURE: 867400 -54.0121 75.4264 14.6831 21.7505 -124.195 103.479 -10.7501 80.2468 226.658 PRESSAVG: 867400 -5.51283 31.3263 29.3155 31.3262 10.2295 -10.6497 29.3155 -10.6498 -10.5505 GPRESSAVG: 867400 -3.68237 31.9725 29.1415 30.5423 9.64973 -8.30909 29.0732 -11.03 -11.9225 TIMING: 867400 CPU: 2572.02, 0.00302397/step Wall: 2572.02, 0.00302397/step, 3.47135 hours remaining, 207.218750 MB of memory in use. ENERGY: 867400 746.8871 2077.2900 1931.8925 105.9890 -206297.0313 17858.0415 0.0000 0.0000 34575.5465 -149001.3848 301.9568 -183576.9312 -148898.4203 299.8639 -18.1387 16.1506 556626.3086 -1.9446 -1.9850 PRESSURE: 867600 -158.483 -21.426 -113.251 -21.4267 103.426 86.1615 -113.25 86.1601 -185.576 GPRESSURE: 867600 -117.23 -70.3827 -126.876 16.156 141.202 121.505 -68.9884 103.953 -158.111 PRESSAVG: 867600 -88.0238 -9.56174 3.40774 -9.56174 76.3151 -4.46938 3.40771 -4.46947 47.4785 GPRESSAVG: 867600 -88.5535 -10.5566 3.67123 -8.19248 77.7373 -4.79522 4.60882 -2.68713 46.6202 TIMING: 867600 CPU: 2572.62, 0.00299427/step Wall: 2572.62, 0.00299427/step, 3.43708 hours remaining, 207.218750 MB of memory in use. ENERGY: 867600 734.9079 2036.1709 1934.0459 112.1855 -205885.7209 17661.7519 0.0000 0.0000 34366.4477 -149040.2110 300.1307 -183406.6587 -148943.8228 300.0528 -80.2113 -44.7127 557503.9625 11.9232 11.9346 PRESSURE: 867800 -77.4243 40.1583 52.3028 40.1584 -145.903 -13.1293 52.3029 -13.1282 -258.385 GPRESSURE: 867800 -53.0882 14.2352 125.031 31.5557 -118.635 -69.0818 -64.6025 4.96674 -201.601 PRESSAVG: 867800 18.2732 -4.08416 -21.7253 -4.08415 16.1333 21.5146 -21.7253 21.5146 -27.424 GPRESSAVG: 867800 18.3104 -4.2073 -20.919 -5.48143 14.836 21.8304 -23.8416 19.6117 -25.9264 TIMING: 867800 CPU: 2573.22, 0.00300873/step Wall: 2573.22, 0.00300873/step, 3.45352 hours remaining, 207.218750 MB of memory in use. ENERGY: 867800 723.7246 2043.4974 1945.5537 110.8457 -205772.7029 17461.4220 0.0000 0.0000 34263.2591 -149224.4004 299.2296 -183487.6595 -149125.1743 299.1389 -160.5710 -124.4414 556959.4834 2.3275 2.4067 PRESSURE: 868000 1.10791 191.185 -78.7381 191.185 -125.854 -47.3803 -78.738 -47.3812 106.369 GPRESSURE: 868000 25.0204 218.163 72.347 253.716 -36.798 25.2314 -63.7559 -58.7921 90.9949 PRESSAVG: 868000 1.07673 40.8831 -2.03656 40.883 20.8742 5.78317 -2.03656 5.78306 -6.00629 GPRESSAVG: 868000 0.38223 40.7477 -2.32224 43.1637 21.8606 4.69328 -1.51464 7.13783 -6.01565 TIMING: 868000 CPU: 2573.82, 0.00300402/step Wall: 2573.82, 0.00300402/step, 3.44795 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: 868000 760.7021 2037.0252 1929.8024 108.1939 -206088.8778 17892.0434 0.0000 0.0000 34131.5088 -149229.6021 298.0790 -183361.1109 -149132.4282 298.9772 -6.1256 26.4058 559233.1766 5.3149 5.4090 PRESSURE: 868200 -323.777 127.788 -44.7129 127.787 -0.49418 38.6557 -44.7133 38.6553 27.7828 GPRESSURE: 868200 -229.086 134.35 45.9382 88.5001 53.6858 69.5886 -50.8617 25.4948 -17.8234 PRESSAVG: 868200 -2.87667 16.2018 -4.02575 16.2018 -2.49333 33.5112 -4.02567 33.5112 -35.7428 GPRESSAVG: 868200 -2.95185 18.6511 -3.97578 13.6177 -2.31534 33.7502 -2.00568 32.5443 -35.9488 TIMING: 868200 CPU: 2574.43, 0.00301543/step Wall: 2574.43, 0.00301543/step, 3.46088 hours remaining, 207.218750 MB of memory in use. ENERGY: 868200 726.7921 2091.7755 1935.0320 108.8268 -205912.0704 17486.7244 0.0000 0.0000 34149.5072 -149413.4124 298.2361 -183562.9196 -149319.0790 298.5899 -98.8296 -64.4080 557854.2863 -13.7043 -13.7387 LDB: ============= START OF LOAD BALANCING ============== 2577.86 LDB: ============== END OF LOAD BALANCING =============== 2577.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2577.86 LDB: ============= START OF LOAD BALANCING ============== 2578.16 LDB: Largest compute 4848 load 0.030252 is 25.7% of average load 0.117744 LDB: Average compute 0.001741 is 1.5% of average load 0.117744 LDB: TIME 2578.16 LOAD: AVG 0.117744 MAX 0.200522 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 2578.16 LOAD: AVG 0.117744 MAX 0.200522 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.199 MB LDB: TIME 2578.16 LOAD: AVG 0.117744 MAX 0.200522 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.199 MB LDB: ============== END OF LOAD BALANCING =============== 2578.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2578.17 PRESSURE: 868400 -282.229 -41.9215 29.6927 -41.9216 -207.947 129.137 29.6918 129.138 117.557 GPRESSURE: 868400 -201.2 -105.113 137.828 -57.2902 -220.327 88.6932 -23.1588 143.151 153.884 PRESSAVG: 868400 -22.2253 15.9025 14.3258 15.9026 30.7508 42.6932 14.3259 42.6932 -17.3129 GPRESSAVG: 868400 -20.5943 14.0215 14.177 17.4676 29.2338 44.7084 14.9721 41.7372 -16.7832 TIMING: 868400 CPU: 2575.04, 0.00306596/step Wall: 2575.04, 0.00306595/step, 3.51869 hours remaining, 206.507812 MB of memory in use. ENERGY: 868400 760.0665 2041.2162 1988.6017 105.8006 -206456.1679 17848.9418 0.0000 0.0000 34245.2529 -149466.2882 299.0723 -183711.5411 -149362.7078 299.0710 -124.2064 -89.2143 556551.5012 -2.9291 -2.7146 PRESSURE: 868600 165.273 -35.8801 22.2339 -35.8784 -60.5085 57.0595 22.2343 57.0593 -28.657 GPRESSURE: 868600 138.792 -22.8757 1.07356 -57.6964 51.4657 145.022 96.7779 -66.8901 -18.7996 PRESSAVG: 868600 -94.1765 24.4121 -43.1364 24.4122 40.1107 33.4974 -43.1364 33.4975 33.4158 GPRESSAVG: 868600 -94.5574 22.4065 -43.6615 25.0322 40.061 30.542 -42.9678 34.6334 33.8268 TIMING: 868600 CPU: 2575.63, 0.0029602/step Wall: 2575.63, 0.0029602/step, 3.39716 hours remaining, 206.507812 MB of memory in use. ENERGY: 868600 719.3411 2031.9419 1943.2140 112.6981 -206528.4452 17920.9963 0.0000 0.0000 34246.6768 -149553.5770 299.0847 -183800.2538 -149461.1773 298.5182 25.3691 57.1526 557044.6400 -6.8833 -6.8899 PRESSURE: 868800 54.2588 18.2326 -7.41841 18.2313 -161.272 77.5031 -7.41903 77.5032 61.3813 GPRESSURE: 868800 104.855 79.9175 34.4463 -3.29339 -134.639 19.4921 -28.499 56.9696 91.6888 PRESSAVG: 868800 -33.3503 45.4563 -18.1468 45.4563 -5.20332 -38.8311 -18.1468 -38.8312 28.6455 GPRESSAVG: 868800 -32.5116 47.8591 -17.7424 43.361 -4.67885 -41.0719 -18.9329 -39.0085 27.3195 TIMING: 868800 CPU: 2576.23, 0.00299235/step Wall: 2576.23, 0.00299235/step, 3.43389 hours remaining, 206.507812 MB of memory in use. ENERGY: 868800 739.3823 1989.7366 1955.3194 102.9738 -206488.8746 17822.1576 0.0000 0.0000 34248.6570 -149630.6479 299.1020 -183879.3049 -149533.9117 298.6291 -15.2108 20.6350 555955.5171 -3.3027 -3.2903 PRESSURE: 869000 142.102 112.423 93.3621 112.423 -198.886 43.2797 93.3621 43.2798 -110.432 GPRESSURE: 869000 174.348 229.48 151.155 40.5868 -188.076 87.174 99.7177 -78.1326 -61.5474 PRESSAVG: 869000 16.6568 56.5156 5.74877 56.5155 -50.0248 -5.38214 5.7488 -5.38208 54.3036 GPRESSAVG: 869000 15.4951 57.9889 6.00854 56.389 -48.8031 -2.91366 6.60624 -5.29212 54.543 TIMING: 869000 CPU: 2576.82, 0.00297897/step Wall: 2576.82, 0.00297897/step, 3.41837 hours remaining, 206.507812 MB of memory in use. ENERGY: 869000 740.9984 2056.2039 1926.6020 117.1612 -206086.8845 17608.7892 0.0000 0.0000 34017.3536 -149619.7761 297.0820 -183637.1298 -149524.3105 298.0972 -55.7386 -25.0917 557051.7819 6.9785 7.0783 PRESSURE: 869200 21.7732 100.145 19.3772 100.144 165.905 -40.7457 19.3773 -40.7449 60.5716 GPRESSURE: 869200 75.8222 170.2 -3.36562 81.9567 203.602 -92.4149 -76.8881 -61.6651 53.5501 PRESSAVG: 869200 -37.854 14.5297 -39.1404 14.5296 25.8508 29.8524 -39.1404 29.8523 48.2313 GPRESSAVG: 869200 -38.1523 13.4004 -39.097 14.8336 26.3085 32.0277 -39.5488 28.6309 47.3997 TIMING: 869200 CPU: 2577.42, 0.00295546/step Wall: 2577.42, 0.00295546/step, 3.39123 hours remaining, 206.507812 MB of memory in use. ENERGY: 869200 722.7421 2163.2767 1931.0348 108.3965 -206486.3784 17869.4798 0.0000 0.0000 34069.4911 -149621.9574 297.5373 -183691.4485 -149523.3810 298.1081 82.7499 110.9914 556033.0399 12.0760 11.8520 PRESSURE: 869400 259.027 -69.7939 65.4479 -69.7924 -9.84794 62.112 65.4479 62.112 -13.3716 GPRESSURE: 869400 303.636 -37.1581 146.441 -120.722 41.7704 14.017 74.0204 75.138 -17.6894 PRESSAVG: 869400 -55.3835 -14.3641 55.3945 -14.3642 48.6696 5.35426 55.3946 5.35436 -15.4067 GPRESSAVG: 869400 -54.9289 -16.3508 53.6958 -12.2963 46.7526 7.12741 54.0304 3.11941 -13.3153 TIMING: 869400 CPU: 2578, 0.00294147/step Wall: 2578, 0.00294147/step, 3.37501 hours remaining, 206.507812 MB of memory in use. ENERGY: 869400 756.0208 2081.3390 1934.6209 111.3874 -206525.9887 17940.7179 0.0000 0.0000 33945.1612 -149756.7415 296.4515 -183701.9028 -149660.5655 297.5897 78.6026 109.2389 556925.6916 -7.3735 -7.1639 PRESSURE: 869600 212.818 189.134 54.417 189.133 -28.7366 -66.6259 54.4159 -66.6266 -85.5155 GPRESSURE: 869600 224.457 168.374 44.3875 184.035 19.253 -52.4495 14.6244 -10.502 -56.3684 PRESSAVG: 869600 60.2275 54.3279 61.6425 54.3278 -57.9577 30.7149 61.6426 30.7148 -16.5937 GPRESSAVG: 869600 60.5452 55.2516 62.8436 53.2146 -56.8618 29.7911 65.1467 30.9773 -17.7549 TIMING: 869600 CPU: 2578.59, 0.00294094/step Wall: 2578.59, 0.00294094/step, 3.37424 hours remaining, 206.507812 MB of memory in use. ENERGY: 869600 781.1792 2031.3497 1936.4557 116.1912 -206601.8098 17845.2618 0.0000 0.0000 34189.2031 -149702.1690 298.5828 -183891.3721 -149599.9117 298.1671 32.8553 62.4473 555513.6446 -4.7746 -4.6905 PRESSURE: 869800 138.558 -23.3344 -115.685 -23.3338 -239.955 -32.6608 -115.685 -32.6616 43.7825 GPRESSURE: 869800 188.042 -24.2077 -83.8606 45.6306 -199.607 -68.1394 -161.767 -107.057 51.3354 PRESSAVG: 869800 1.57253 -36.2582 24.2503 -36.2582 3.3741 26.2034 24.2503 26.2034 9.00482 GPRESSAVG: 869800 0.916266 -36.5583 24.4577 -36.2999 4.49327 23.401 21.2956 27.7685 9.14301 TIMING: 869800 CPU: 2579.18, 0.00295799/step Wall: 2579.18, 0.00295799/step, 3.39363 hours remaining, 206.507812 MB of memory in use. ENERGY: 869800 730.5138 2132.9936 1976.7775 107.2971 -206506.8616 17670.1597 0.0000 0.0000 34203.1869 -149685.9330 298.7049 -183889.1199 -149588.0515 297.9526 -19.2051 13.2570 556376.6248 4.6505 4.8508 PRESSURE: 870000 142.394 30.3897 -50.8745 30.3893 218.085 -8.27459 -50.8755 -8.27492 68.2203 GPRESSURE: 870000 180.308 -22.364 104.583 2.69589 252.733 0.124613 -63.1111 38.2608 105.48 PRESSAVG: 870000 14.2374 14.293 41.0866 14.293 3.84185 3.75653 41.0866 3.7564 -25.9613 GPRESSAVG: 870000 13.8061 14.6734 43.9078 14.9943 3.79932 5.58224 41.0598 5.13495 -25.2998 TIMING: 870000 CPU: 2579.78, 0.00297856/step Wall: 2579.78, 0.00297856/step, 3.41707 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: 870000 746.1484 2101.5850 1965.5545 99.3890 -206678.2311 18112.6725 0.0000 0.0000 33906.3383 -149746.5435 296.1125 -183652.8818 -149654.3961 297.5507 142.8996 179.5071 556253.4131 -2.6273 -2.5648 PRESSURE: 870200 201.39 -43.259 70.3664 -43.2605 -6.29221 120.839 70.367 120.84 189.46 GPRESSURE: 870200 197.528 -82.9962 0.530004 -55.7514 24.821 77.9785 68.6961 172.282 265.071 PRESSAVG: 870200 7.48411 47.1421 36.9333 47.1421 35.9509 -15.2785 36.9333 -15.2784 8.41348 GPRESSAVG: 870200 8.90809 45.5646 33.9313 47.5991 33.8226 -17.2864 37.8466 -15.0472 9.08781 TIMING: 870200 CPU: 2580.37, 0.00297506/step Wall: 2580.37, 0.00297506/step, 3.41289 hours remaining, 206.507812 MB of memory in use. ENERGY: 870200 803.0304 2122.9348 1920.9495 102.7825 -207067.4216 18135.0138 0.0000 0.0000 34227.7792 -149754.9313 298.9197 -183982.7106 -149657.4141 298.0654 128.1861 162.4731 555643.7214 17.2828 17.2728 PRESSURE: 870400 7.05008 -186.666 67.3259 -186.666 -4.80588 53.5846 67.3256 53.5854 20.5329 GPRESSURE: 870400 76.7083 -144.071 80.4527 -155.425 26.6676 89.3518 1.78222 87.8754 9.5623 PRESSAVG: 870400 -47.0227 56.6458 5.37699 56.6459 -0.371531 12.3656 5.37697 12.3656 23.0891 GPRESSAVG: 870400 -47.6005 57.1239 7.77926 55.2238 0.664338 14.0435 4.52688 11.3969 22.7213 TIMING: 870400 CPU: 2580.97, 0.0029724/step Wall: 2580.97, 0.0029724/step, 3.40967 hours remaining, 206.507812 MB of memory in use. ENERGY: 870400 771.5780 2143.1736 1949.9139 121.9757 -206534.4975 17906.7829 0.0000 0.0000 34061.8547 -149579.2188 297.4706 -183641.0735 -149487.2017 298.1661 7.5924 37.6461 557255.3641 -8.1017 -8.0716 PRESSURE: 870600 206.451 168.7 -28.6148 168.701 20.9039 119.997 -28.6158 119.996 -21.5787 GPRESSURE: 870600 245.819 212.445 -57.9214 98.7142 28.9988 135.414 -99.8057 43.1781 16.3448 PRESSAVG: 870600 57.81 80.748 80.0094 80.7482 -50.2455 12.2011 80.0094 12.201 51.9691 GPRESSAVG: 870600 59.0513 81.7788 77.7235 81.3686 -50.6419 13.5821 81.8324 11.312 51.5031 TIMING: 870600 CPU: 2581.56, 0.00296607/step Wall: 2581.56, 0.00296607/step, 3.40224 hours remaining, 206.507812 MB of memory in use. ENERGY: 870600 720.9903 2115.8940 1971.0596 118.3359 -206577.2079 17896.6026 0.0000 0.0000 34254.9986 -149499.3269 299.1574 -183754.3255 -149403.1616 298.2704 68.5919 97.0542 556583.5886 19.8445 19.9708 PRESSURE: 870800 213.544 260.01 109.098 260.011 64.0451 -61.8217 109.096 -61.8217 183.367 GPRESSURE: 870800 210.184 200.44 77.4449 210.234 106.497 -75.4038 193.965 -31.1024 240.85 PRESSAVG: 870800 22.5353 55.7723 54.9515 55.7723 -22.0557 7.06154 54.9515 7.06157 -15.901 GPRESSAVG: 870800 21.3335 55.3633 54.8364 55.9037 -21.6782 4.35753 54.3698 8.63717 -15.1278 TIMING: 870800 CPU: 2582.15, 0.00295925/step Wall: 2582.15, 0.00295925/step, 3.39426 hours remaining, 206.507812 MB of memory in use. ENERGY: 870800 749.5594 2112.6482 1948.0331 102.3708 -206380.9496 18040.6377 0.0000 0.0000 34068.9285 -149358.7718 297.5324 -183427.7003 -149259.6298 299.0039 153.6520 185.8440 557252.2659 -5.1405 -5.1575 PRESSURE: 871000 -76.2696 5.67781 -62.5284 5.67765 -227.626 64.801 -62.5295 64.8008 -137.124 GPRESSURE: 871000 -8.88909 39.9269 -7.98411 -48.3669 -205.653 89.6641 -99.815 30.2652 -139.3 PRESSAVG: 871000 28.1385 59.1543 12.2424 59.1542 30.6574 38.5807 12.2424 38.5807 -20.3545 GPRESSAVG: 871000 27.8879 59.3544 14.2687 58.9081 30.3224 39.9497 10.0888 38.4905 -20.1965 TIMING: 871000 CPU: 2582.75, 0.00296174/step Wall: 2582.75, 0.00296174/step, 3.39696 hours remaining, 206.507812 MB of memory in use. ENERGY: 871000 784.7238 2072.4060 1948.8043 115.1567 -206407.6941 17856.9362 0.0000 0.0000 34251.4806 -149378.1866 299.1267 -183629.6671 -149278.6749 299.2867 -147.0066 -117.9471 556834.9065 12.8138 12.6712 PRESSURE: 871200 212.756 283.447 -90.3323 283.446 -34.5376 -141.846 -90.3322 -141.846 -302.755 GPRESSURE: 871200 225.199 262.875 -60.2738 273.457 26.3052 -100.948 -68.8414 -143.913 -268.303 PRESSAVG: 871200 -21.1192 90.5342 33.5578 90.5343 60.6083 -28.3668 33.5576 -28.3668 -77.2131 GPRESSAVG: 871200 -21.9604 89.0786 33.4546 90.0147 61.0344 -28.9509 35.705 -28.8928 -76.8723 TIMING: 871200 CPU: 2583.34, 0.00296098/step Wall: 2583.34, 0.00296098/step, 3.39592 hours remaining, 206.507812 MB of memory in use. ENERGY: 871200 754.5520 2090.8223 1924.4787 128.3521 -206409.6067 17767.4161 0.0000 0.0000 34430.8519 -149313.1337 300.6932 -183743.9856 -149223.9222 299.0319 -41.5123 -5.5995 557302.3315 -12.5747 -12.5994 PRESSURE: 871400 143.008 -38.8641 190.457 -38.8651 16.6889 95.838 190.457 95.8378 132.324 GPRESSURE: 871400 191.339 3.1541 168.177 50.0587 56.8491 84.0179 133.876 42.8774 139.524 PRESSAVG: 871400 15.8601 12.4805 -42.6183 12.4805 23.2922 -4.30455 -42.6183 -4.30451 28.0021 GPRESSAVG: 871400 17.6544 14.0121 -45.1763 13.6087 22.2073 -5.11398 -43.8507 -3.91485 27.8426 TIMING: 871400 CPU: 2583.93, 0.00297815/step Wall: 2583.93, 0.00297815/step, 3.41545 hours remaining, 206.507812 MB of memory in use. ENERGY: 871400 775.9663 2048.8823 1953.4133 101.7244 -206355.5372 18059.5651 0.0000 0.0000 34260.5406 -149155.4452 299.2058 -183415.9859 -149064.8654 299.0611 97.3403 129.2375 557110.8216 22.3848 22.5681 PRESSURE: 871600 -40.9983 54.3758 -81.498 54.3758 -186.957 -9.8815 -81.497 -9.88388 -251.412 GPRESSURE: 871600 -38.0058 0.824014 -131.949 25.5485 -171.373 44.2635 -51.5804 -30.495 -186.384 PRESSAVG: 871600 -56.8432 59.4478 0.784174 59.4479 -4.69803 28.9144 0.78416 28.9143 36.8293 GPRESSAVG: 871600 -55.9606 59.6957 3.44697 57.2692 -5.3962 30.3108 2.39521 28.7671 37.191 TIMING: 871600 CPU: 2584.52, 0.00294256/step Wall: 2584.52, 0.00294256/step, 3.37446 hours remaining, 206.507812 MB of memory in use. ENERGY: 871600 782.8566 2041.7547 1942.7645 114.0242 -205804.3853 17606.1593 0.0000 0.0000 34205.5877 -149111.2384 298.7259 -183316.8261 -149011.4726 299.5458 -159.7891 -131.9210 558659.2837 -8.2373 -8.0552 PRESSURE: 871800 54.6892 66.8389 51.8096 66.8398 -114.539 -10.9561 51.808 -10.9569 207.559 GPRESSURE: 871800 94.6661 26.5893 18.088 38.6744 -26.8065 -45.9154 79.7037 6.00507 179.051 PRESSAVG: 871800 -9.00474 -3.50071 42.7404 -3.50077 -14.6027 56.0578 42.7403 56.058 40.1914 GPRESSAVG: 871800 -10.0845 -4.57194 42.5657 -2.71599 -12.5841 54.6958 41.2553 56.1871 39.0207 TIMING: 871800 CPU: 2585.11, 0.00293565/step Wall: 2585.11, 0.00293565/step, 3.36638 hours remaining, 206.507812 MB of memory in use. ENERGY: 871800 747.9399 2108.5168 1921.0380 114.8829 -205983.9899 17827.4325 0.0000 0.0000 34155.2270 -149108.9529 298.2861 -183264.1799 -149019.3688 300.0152 49.2366 82.3034 558717.1437 5.5280 5.4507 PRESSURE: 872000 34.5479 81.4119 -139.737 81.4121 -45.4297 19.9838 -139.737 19.9825 34.3323 GPRESSURE: 872000 23.7488 109.673 -45.9096 140.83 -22.7796 -4.20975 -110.563 73.2226 122.559 PRESSAVG: 872000 -36.3066 10.4422 40.4072 10.4423 -39.2228 -20.3759 40.4071 -20.376 67.9498 GPRESSAVG: 872000 -36.4732 10.6436 39.266 10.7804 -40.1376 -20.5904 40.5945 -19.2267 68.4425 TIMING: 872000 CPU: 2585.7, 0.00295713/step Wall: 2585.7, 0.00295713/step, 3.39085 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: 872000 731.4137 2061.3230 1934.7949 125.1796 -206087.9432 17861.2930 0.0000 0.0000 34321.5834 -149052.3557 299.7389 -183373.9391 -148953.1334 299.8440 7.8168 41.1759 558439.9369 -2.5265 -2.7228 PRESSURE: 872200 24.6484 -33.6404 35.7451 -33.6398 -165.911 95.0433 35.7452 95.0438 37.7818 GPRESSURE: 872200 83.4004 -25.6847 -46.9245 58.1162 -161.347 70.0554 72.1846 197.341 82.4442 PRESSAVG: 872200 0.784612 3.8501 23.3212 3.85006 -1.64844 5.84488 23.3212 5.84493 6.24187 GPRESSAVG: 872200 1.51403 3.549 25.084 3.57945 -2.19508 5.4454 23.1132 7.09957 6.46987 TIMING: 872200 CPU: 2586.29, 0.00296116/step Wall: 2586.29, 0.00296116/step, 3.3953 hours remaining, 206.507812 MB of memory in use. ENERGY: 872200 754.6571 2037.9861 1934.8227 120.4555 -206230.0527 17885.0315 0.0000 0.0000 34377.7977 -149119.3022 300.2299 -183497.0999 -149020.5533 300.0729 -34.4936 1.4993 557833.0402 1.7927 1.9296 LDB: ============= START OF LOAD BALANCING ============== 2589.72 LDB: ============== END OF LOAD BALANCING =============== 2589.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2589.72 LDB: ============= START OF LOAD BALANCING ============== 2590.02 LDB: Largest compute 4848 load 0.030766 is 26.1% of average load 0.117765 LDB: Average compute 0.001740 is 1.5% of average load 0.117765 LDB: TIME 2590.02 LOAD: AVG 0.117765 MAX 0.197288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.535 MB LDB: TIME 2590.02 LOAD: AVG 0.117765 MAX 0.197288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: TIME 2590.02 LOAD: AVG 0.117765 MAX 0.197288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.539 MB LDB: ============== END OF LOAD BALANCING =============== 2590.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2590.02 PRESSURE: 872400 -15.5966 -14.6705 -51.0005 -14.6677 -79.2209 96.1629 -51.0011 96.164 165.592 GPRESSURE: 872400 7.24798 -122.946 2.28444 26.2442 -2.06734 151.454 -52.6419 114.119 159.046 PRESSAVG: 872400 14.1748 -8.27949 30.1332 -8.27942 -11.8805 -8.23321 30.1333 -8.23309 26.0167 GPRESSAVG: 872400 14.6748 -7.9577 32.318 -7.51093 -11.9907 -6.39496 29.6193 -10.1264 25.1184 TIMING: 872400 CPU: 2586.89, 0.00300044/step Wall: 2586.89, 0.00300044/step, 3.44017 hours remaining, 205.535156 MB of memory in use. ENERGY: 872400 789.7884 2054.1470 1960.9469 114.3301 -206236.7792 17936.6964 0.0000 0.0000 34269.2951 -149111.5752 299.2823 -183380.8703 -149022.7884 299.5702 23.5914 54.7421 558183.7542 9.4370 9.2675 PRESSURE: 872600 13.0969 -49.7676 202.485 -49.7674 99.7057 -53.2563 202.486 -53.2552 158.476 GPRESSURE: 872600 50.2703 -52.7397 172.389 -71.0258 151.372 -146.007 207.771 14.7576 178.135 PRESSAVG: 872600 -55.2924 44.2605 -1.18705 44.2604 29.5342 21.9218 -1.18702 21.9217 15.7043 GPRESSAVG: 872600 -55.6359 45.1104 -4.38719 42.2771 29.397 20.3195 -1.43872 23.7938 15.2442 TIMING: 872600 CPU: 2587.49, 0.00297421/step Wall: 2587.49, 0.00297421/step, 3.40994 hours remaining, 205.738281 MB of memory in use. ENERGY: 872600 717.5522 2035.0275 1966.3112 110.2842 -206432.3089 17958.3957 0.0000 0.0000 34429.0933 -149215.6448 300.6778 -183644.7381 -149113.9441 298.9263 90.4261 126.5925 558374.5294 -3.3513 -3.6649 PRESSURE: 872800 56.092 71.8664 -18.3135 71.8673 -364.38 127.157 -18.3127 127.155 -273.934 GPRESSURE: 872800 92.2963 33.2642 50.3037 164.683 -366.481 75.9222 -82.2107 143.002 -203.994 PRESSAVG: 872800 56.0281 35.8565 20.3795 35.8566 -27.4298 -14.927 20.3796 -14.927 -2.52903 GPRESSAVG: 872800 55.9271 36.7425 21.4316 38.6257 -26.88 -13.0854 21.0386 -17.6721 -3.05792 TIMING: 872800 CPU: 2588.08, 0.00296332/step Wall: 2588.08, 0.00296332/step, 3.39728 hours remaining, 205.738281 MB of memory in use. ENERGY: 872800 760.0302 2065.8937 1938.8882 116.9017 -206099.9362 17684.8739 0.0000 0.0000 34221.9086 -149311.4399 298.8684 -183533.3485 -149221.2568 298.9517 -194.0741 -159.3930 560102.3517 8.6897 8.6630 PRESSURE: 873000 159.328 -159.187 -109.415 -159.185 -110.994 30.3293 -109.415 30.3295 185.448 GPRESSURE: 873000 173.244 -149.872 -135.855 -162.25 -27.698 8.74137 -22.1615 33.9439 191.712 PRESSAVG: 873000 41.6102 -17.9354 10.2709 -17.9354 -36.4452 54.1272 10.2709 54.1272 -36.6525 GPRESSAVG: 873000 41.1693 -19.2013 8.49347 -19.2316 -37.0256 54.5482 9.49473 53.4218 -36.0683 TIMING: 873000 CPU: 2588.68, 0.00298218/step Wall: 2588.68, 0.00298218/step, 3.41874 hours remaining, 205.738281 MB of memory in use. ENERGY: 873000 761.6158 2004.1835 1951.9589 106.6441 -206409.0474 18136.4170 0.0000 0.0000 34229.9938 -149218.2344 298.9390 -183448.2282 -149120.3815 298.5580 77.9277 112.4192 560219.2668 -10.4958 -10.6416 PRESSURE: 873200 151.576 65.1433 4.12106 65.1435 -12.0106 -172.061 4.12082 -172.063 68.4522 GPRESSURE: 873200 164.179 126.974 67.8216 17.0396 34.2102 -148.157 24.837 -165.591 105.625 PRESSAVG: 873200 37.8301 -52.8486 31.0286 -52.8486 -12.1686 8.24174 31.0286 8.24168 -1.47741 GPRESSAVG: 873200 38.0393 -51.9048 31.9912 -52.9995 -12.3387 6.51826 32.3749 10.189 -0.993026 TIMING: 873200 CPU: 2589.27, 0.00298314/step Wall: 2589.27, 0.00298314/step, 3.41968 hours remaining, 205.738281 MB of memory in use. ENERGY: 873200 696.2627 2033.1202 1917.9488 113.8829 -206347.4347 17975.8180 0.0000 0.0000 34370.6034 -149239.7987 300.1670 -183610.4020 -149146.7639 298.5053 69.3391 101.3379 561346.9507 8.0614 8.2359 PRESSURE: 873400 -87.9196 3.04418 -266.368 3.04618 -306.135 103.289 -266.369 103.289 -106.174 GPRESSURE: 873400 -64.2575 -71.3994 -248.471 -55.2262 -210.305 96.0882 -270.691 67.3655 -141.894 PRESSAVG: 873400 9.53985 -37.8051 -43.4753 -37.805 -75.8783 -13.0583 -43.4753 -13.0583 42.6274 GPRESSAVG: 873400 9.27182 -39.7186 -41.927 -37.4035 -74.3829 -13.6684 -46.6311 -11.9037 41.4348 TIMING: 873400 CPU: 2589.87, 0.002985/step Wall: 2589.87, 0.002985/step, 3.42164 hours remaining, 205.738281 MB of memory in use. ENERGY: 873400 741.7588 2058.2479 1934.0708 117.2917 -206277.4142 17744.0724 0.0000 0.0000 34196.5719 -149485.4007 298.6472 -183681.9726 -149394.9053 299.3621 -166.7430 -138.8188 560530.8667 -7.9037 -7.8921 PRESSURE: 873600 -34.3038 -115.066 131.725 -115.066 -67.3701 79.6059 131.725 79.6064 94.7215 GPRESSURE: 873600 52.3943 -43.9518 229.719 -150.831 -35.1246 131.687 69.3669 151.367 71.9989 PRESSAVG: 873600 20.633 -16.4972 31.369 -16.4972 -39.8539 37.3219 31.3691 37.322 65.8791 GPRESSAVG: 873600 19.629 -16.107 29.3057 -16.442 -40.8954 38.2029 33.6753 33.5427 67.7564 TIMING: 873600 CPU: 2590.46, 0.00296061/step Wall: 2590.46, 0.00296061/step, 3.39352 hours remaining, 205.738281 MB of memory in use. ENERGY: 873600 726.3492 2028.5163 1975.6342 100.7107 -206334.3371 17881.6829 0.0000 0.0000 34202.6838 -149418.7600 298.7005 -183621.4438 -149322.8834 298.4077 -2.3175 29.7562 559337.8766 15.5527 15.4967 PRESSURE: 873800 -56.771 -204.708 -94.9444 -204.708 -121.7 -164.739 -94.9464 -164.741 -103.359 GPRESSURE: 873800 -40.8041 -233.423 -142.183 -187.434 -43.4335 -144.126 -57.937 -180.951 -98.6255 PRESSAVG: 873800 -0.898974 -44.1984 -40.4353 -44.1985 -20.1587 -8.12141 -40.4353 -8.12137 17.1506 GPRESSAVG: 873800 0.203379 -44.077 -38.6489 -43.932 -21.3721 -7.45094 -40.6973 -6.8736 17.3869 TIMING: 873800 CPU: 2591.06, 0.00298346/step Wall: 2591.06, 0.00298346/step, 3.41954 hours remaining, 205.738281 MB of memory in use. ENERGY: 873800 680.1498 2061.9167 1958.7583 114.6838 -206055.0966 17741.4020 0.0000 0.0000 34201.1635 -149297.0225 298.6873 -183498.1860 -149200.2440 298.5237 -93.9434 -60.9544 559322.4141 -1.3024 -1.2606 PRESSURE: 874000 2.4874 -244.626 37.8162 -244.626 -181.578 31.4257 37.815 31.4254 21.8424 GPRESSURE: 874000 24.2194 -185.712 3.2102 -226.04 -156.06 -46.3114 30.9581 62.2163 70.9149 PRESSAVG: 874000 14.0139 -33.4097 -39.2538 -33.4096 -46.2406 -25.979 -39.2539 -25.979 23.4934 GPRESSAVG: 874000 13.7615 -33.5246 -41.4797 -33.6845 -45.0781 -26.1976 -40.3433 -24.4399 22.4718 TIMING: 874000 CPU: 2591.66, 0.00299451/step Wall: 2591.66, 0.00299451/step, 3.43204 hours remaining, 205.738281 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: 874000 746.9760 2130.3856 1927.0240 116.6598 -206155.8993 17762.4986 0.0000 0.0000 34203.0768 -149269.2786 298.7040 -183472.3554 -149174.3380 298.8394 -52.4161 -20.3084 558387.0007 -2.9111 -2.9483 PRESSURE: 874200 46.2593 -68.7854 85.3776 -68.785 -75.1992 124.003 85.3773 124.005 -47.2253 GPRESSURE: 874200 119.608 -94.8118 146.916 -48.8904 -83.9383 55.4158 118.939 78.0738 -13.5367 PRESSAVG: 874200 -13.546 -46.1303 -58.5053 -46.1303 -3.20437 18.4743 -58.5052 18.4743 13.1127 GPRESSAVG: 874200 -12.0357 -46.6615 -57.6916 -45.3322 -4.24606 19.1139 -59.5529 17.2207 12.4331 TIMING: 874200 CPU: 2592.25, 0.00295369/step Wall: 2592.25, 0.00295369/step, 3.38509 hours remaining, 205.738281 MB of memory in use. ENERGY: 874200 743.5529 2115.1438 1940.9786 104.2526 -206203.8999 17840.7334 0.0000 0.0000 34315.4621 -149143.7765 299.6855 -183459.2387 -149048.3481 299.3183 -25.3884 7.3778 558555.7592 -1.2126 -1.2829 PRESSURE: 874400 118.021 120.856 34.8373 120.855 -112.845 53.6809 34.8379 53.6807 -5.63377 GPRESSURE: 874400 78.8889 101.593 74.5614 33.5188 -118.923 58.6077 41.3926 23.2569 125.852 PRESSAVG: 874400 -14.1853 -16.9618 -62.386 -16.9618 45.7927 2.38242 -62.386 2.38226 -92.9169 GPRESSAVG: 874400 -15.9596 -14.5246 -62.4702 -16.9951 46.3741 0.338924 -60.0942 3.33311 -91.5496 TIMING: 874400 CPU: 2592.84, 0.00295049/step Wall: 2592.84, 0.00295049/step, 3.38126 hours remaining, 205.738281 MB of memory in use. ENERGY: 874400 766.5540 2071.3985 1926.8400 106.7928 -206268.8055 17782.5822 0.0000 0.0000 34419.2660 -149195.3720 300.5920 -183614.6380 -149100.7719 299.5699 -0.1526 28.6059 557698.0939 -20.4365 -20.3784 PRESSURE: 874600 -54.969 -99.7213 -65.1162 -99.7211 24.0907 -130.876 -65.1167 -130.875 128.695 GPRESSURE: 874600 -15.4436 -152.889 -39.943 -69.5631 93.1162 -148.488 -102.223 -94.0013 114.204 PRESSAVG: 874600 22.4628 -24.3952 -31.4311 -24.3951 -56.7304 -67.3598 -31.4312 -67.3599 26.2863 GPRESSAVG: 874600 22.4674 -26.9089 -31.2525 -24.5975 -55.1733 -66.4235 -33.5052 -66.6455 25.4946 TIMING: 874600 CPU: 2593.44, 0.00297793/step Wall: 2593.44, 0.00297793/step, 3.41255 hours remaining, 205.738281 MB of memory in use. ENERGY: 874600 777.2108 2068.7356 1949.3589 112.9845 -205938.2894 17750.2178 0.0000 0.0000 34137.5098 -149142.2721 298.1314 -183279.7818 -149050.9377 298.9673 32.6057 63.9590 557883.2664 -2.6604 -2.4038 PRESSURE: 874800 -240.842 -23.374 -138.26 -23.3742 -148.591 -108.546 -138.262 -108.548 -32.5147 GPRESSURE: 874800 -86.1863 51.3134 -87.761 -87.0961 -149.741 -107.327 -142.567 -99.6245 -87.3742 PRESSAVG: 874800 -26.8902 -30.8432 -33.2451 -30.8431 25.6229 -54.8703 -33.2451 -54.8702 -17.5979 GPRESSAVG: 874800 -25.8754 -29.933 -33.3148 -32.7411 24.917 -53.3237 -32.0351 -55.9708 -17.6082 TIMING: 874800 CPU: 2594.04, 0.00300093/step Wall: 2594.04, 0.00300093/step, 3.43873 hours remaining, 205.738281 MB of memory in use. ENERGY: 874800 768.8426 2092.8052 1940.3709 114.5294 -206167.8416 17781.2945 0.0000 0.0000 34192.4507 -149277.5483 298.6112 -183469.9990 -149183.7500 299.3786 -140.6493 -107.7673 557639.2292 -6.2884 -6.1889 PRESSURE: 875000 -64.0532 -43.6555 -64.9511 -43.6541 -313.468 -132.018 -64.9506 -132.02 82.6313 GPRESSURE: 875000 -0.334353 -35.9239 -77.7528 -96.4776 -261.923 -224.048 -118.249 -62.0402 63.4314 PRESSAVG: 875000 -2.91353 15.9234 -60.7765 15.9234 -37.2491 -25.9953 -60.7765 -25.9952 33.5235 GPRESSAVG: 875000 -3.46332 15.634 -61.0794 17.8134 -37.1673 -28.3057 -62.4646 -25.7062 33.9825 TIMING: 875000 CPU: 2594.63, 0.00295992/step Wall: 2594.63, 0.00295992/step, 3.39158 hours remaining, 205.738281 MB of memory in use. ENERGY: 875000 743.4834 2050.6483 1950.4669 110.0064 -206145.6888 17600.7813 0.0000 0.0000 34238.4967 -149451.8058 299.0133 -183690.3025 -149351.5295 299.5623 -98.2968 -66.2754 556492.1400 -2.2131 -2.2160 PRESSURE: 875200 130.219 -10.434 -50.6942 -10.4335 -25.6504 109.203 -50.6946 109.203 12.45 GPRESSURE: 875200 200.2 -34.0877 -94.7792 -96.7519 -56.1836 137.292 -27.4999 193.934 58.7842 PRESSAVG: 875200 11.934 -61.9046 -25.0442 -61.9047 -57.1905 -7.13319 -25.0442 -7.13327 21.9266 GPRESSAVG: 875200 12.3828 -61.9262 -25.4179 -61.3261 -58.5896 -5.51597 -22.7845 -6.90201 22.5449 TIMING: 875200 CPU: 2595.22, 0.00298402/step Wall: 2595.22, 0.00298402/step, 3.41902 hours remaining, 205.738281 MB of memory in use. ENERGY: 875200 775.4419 2153.6347 1906.8889 115.0786 -206404.4268 17898.3334 0.0000 0.0000 34156.7890 -149398.2603 298.2997 -183555.0493 -149303.4130 299.0684 39.0062 67.6003 557102.8973 -7.7766 -7.8873 PRESSURE: 875400 -118.376 33.7322 -38.0302 33.7317 -21.2915 -64.2295 -38.0292 -64.2304 -98.2699 GPRESSURE: 875400 -101.98 137.466 44.9189 -40.974 51.3187 -117.668 -9.84299 15.9015 -89.4678 PRESSAVG: 875400 -11.394 21.1983 -1.8729 21.1983 76.1306 -29.1736 -1.87291 -29.1734 -27.187 GPRESSAVG: 875400 -9.80786 21.8373 -2.17858 19.3334 76.571 -30.3572 -1.4496 -27.8622 -28.7248 TIMING: 875400 CPU: 2595.82, 0.00298961/step Wall: 2595.82, 0.00298961/step, 3.42526 hours remaining, 205.738281 MB of memory in use. ENERGY: 875400 770.4413 2077.8510 1928.6596 134.4038 -205831.7412 17702.8953 0.0000 0.0000 33947.1115 -149270.3787 296.4686 -183217.4901 -149172.5201 299.3087 -79.3123 -46.7096 558200.0293 12.5165 12.6794 PRESSURE: 875600 109.247 -75.9424 -44.4112 -75.9421 -192.76 -41.2482 -44.4124 -41.2479 45.2106 GPRESSURE: 875600 69.0477 0.604149 -94.3386 -95.2971 -117.468 24.2122 -35.9491 -38.8293 101.589 PRESSAVG: 875600 -39.3752 -11.2599 33.9291 -11.2599 -21.5335 5.48768 33.9292 5.48771 17.8849 GPRESSAVG: 875600 -40.9893 -10.0505 34.428 -9.1721 -21.5206 5.99009 31.6033 4.68337 19.151 TIMING: 875600 CPU: 2596.42, 0.00297064/step Wall: 2596.42, 0.00297064/step, 3.40336 hours remaining, 205.738281 MB of memory in use. ENERGY: 875600 758.6262 2145.4836 1959.2144 114.4201 -206060.6833 17815.8206 0.0000 0.0000 34214.8401 -149052.2783 298.8067 -183267.1184 -148957.4509 299.3796 -12.7676 17.7228 557359.9754 -14.3413 -14.4530 PRESSURE: 875800 -162.286 76.8135 -138.901 76.8139 203.722 40.0464 -138.901 40.0455 72.2231 GPRESSURE: 875800 -101.108 30.7043 -181.937 20.1232 204.33 65.9971 -64.0583 40.7054 103.085 PRESSAVG: 875800 52.9867 2.69224 -52.8427 2.69218 10.6175 -27.5144 -52.8428 -27.5144 -43.6181 GPRESSAVG: 875800 52.6161 -0.260969 -53.8885 2.91532 10.9364 -28.1693 -49.9643 -27.1248 -43.4968 TIMING: 875800 CPU: 2597.01, 0.00296565/step Wall: 2597.01, 0.00296565/step, 3.39748 hours remaining, 205.738281 MB of memory in use. ENERGY: 875800 748.6606 2140.0509 1945.9294 113.0647 -206374.7344 17881.0564 0.0000 0.0000 34557.3281 -148988.6442 301.7977 -183545.9724 -148882.5217 300.0485 37.8864 68.7692 557213.9616 6.6620 6.6853 PRESSURE: 876000 -329.12 -98.1728 -77.5219 -98.1735 189.64 -157.261 -77.5223 -157.262 -133.069 GPRESSURE: 876000 -287.565 -82.0185 -5.80509 -71.8513 222.381 -172.917 -75.3706 -181.369 -113.882 PRESSAVG: 876000 63.125 19.4266 17.0866 19.4266 -78.1439 -23.6573 17.0867 -23.6574 41.1775 GPRESSAVG: 876000 64.4859 20.6797 19.2625 18.5188 -78.4649 -22.1455 16.0967 -26.0264 40.1335 TIMING: 876000 CPU: 2597.6, 0.00295633/step Wall: 2597.6, 0.00295633/step, 3.38664 hours remaining, 205.738281 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: 876000 698.7921 2123.7588 1934.6164 104.2288 -205822.0385 17466.6118 0.0000 0.0000 34615.4696 -148878.5610 302.3055 -183494.0306 -148785.8129 300.2566 -90.8498 -59.6884 556680.9935 8.7195 8.7181 PRESSURE: 876200 184.407 76.7679 -131.869 76.7682 4.50292 -128.289 -131.87 -128.29 127.3 GPRESSURE: 876200 197.654 10.5484 -206.63 128.705 -2.88322 -6.29575 -145.008 -127.847 205.85 PRESSAVG: 876200 -85.3651 -7.74707 -6.32303 -7.74705 111.582 -67.1316 -6.3231 -67.1315 -50.7406 GPRESSAVG: 876200 -85.8262 -6.31343 -8.78003 -8.6612 112.293 -67.3295 -8.37391 -64.2999 -51.2277 TIMING: 876200 CPU: 2598.19, 0.00295269/step Wall: 2598.19, 0.00295269/step, 3.3823 hours remaining, 205.738281 MB of memory in use. ENERGY: 876200 712.6556 2125.6245 1980.1755 112.4569 -206188.7959 17838.8784 0.0000 0.0000 34434.2521 -148984.7529 300.7229 -183419.0050 -148882.6035 299.8706 105.4035 133.5402 557031.3702 -8.1746 -8.2535 LDB: ============= START OF LOAD BALANCING ============== 2601.62 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2601.62 LDB: =============== DONE WITH MIGRATION ================ 2601.62 LDB: ============= START OF LOAD BALANCING ============== 2601.92 LDB: Largest compute 4848 load 0.031177 is 26.5% of average load 0.117761 LDB: Average compute 0.001740 is 1.5% of average load 0.117761 LDB: TIME 2601.92 LOAD: AVG 0.117761 MAX 0.197571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.566 MB LDB: TIME 2601.92 LOAD: AVG 0.117761 MAX 0.197571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.566 MB LDB: TIME 2601.92 LOAD: AVG 0.117761 MAX 0.197571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.566 MB LDB: ============== END OF LOAD BALANCING =============== 2601.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2601.93 PRESSURE: 876400 -48.7146 42.5196 -14.7936 42.5189 126.13 -16.0939 -14.7936 -16.0933 -157.176 GPRESSURE: 876400 -23.2691 20.2112 -50.045 40.4274 103.055 110.882 8.40701 -74.2351 -66.2653 PRESSAVG: 876400 -10.905 -12.9244 -0.435061 -12.9244 -32.0012 -56.6142 -0.435042 -56.6141 42.747 GPRESSAVG: 876400 -10.2167 -14.071 -0.820239 -13.3806 -33.4535 -57.3742 0.801328 -57.6798 43.8884 TIMING: 876400 CPU: 2598.8, 0.00302665/step Wall: 2598.8, 0.00302665/step, 3.46686 hours remaining, 206.562500 MB of memory in use. ENERGY: 876400 691.3203 2102.7452 1956.9926 112.1711 -205986.1833 17786.8283 0.0000 0.0000 34273.2964 -149062.8295 299.3172 -183336.1259 -148966.4618 299.7051 -26.5869 4.5069 559651.1209 -0.0531 0.0727 PRESSURE: 876600 -30.5846 -195.486 -44.7209 -195.486 27.9182 -2.70949 -44.7214 -2.70984 -19.5266 GPRESSURE: 876600 -11.5574 -154.382 -53.8387 -170.015 85.5886 28.2985 -133.436 -53.4257 4.33725 PRESSAVG: 876600 12.2003 6.73876 -10.5545 6.73867 -1.89394 -0.981145 -10.5545 -0.980995 -4.60722 GPRESSAVG: 876600 11.6617 8.69494 -11.3164 6.25261 -1.29843 0.433425 -10.2696 -2.78623 -5.41341 TIMING: 876600 CPU: 2599.39, 0.00298096/step Wall: 2599.39, 0.00298096/step, 3.41436 hours remaining, 206.562500 MB of memory in use. ENERGY: 876600 737.7957 2096.4208 1942.1747 105.9735 -206225.4551 17808.2815 0.0000 0.0000 34596.1912 -148938.6177 302.1371 -183534.8089 -148833.7774 300.6461 -7.3977 26.1228 558554.4351 1.8997 1.6500 PRESSURE: 876800 -416.757 34.6767 -54.3026 34.6775 -313.965 67.7633 -54.3017 67.7616 -65.2098 GPRESSURE: 876800 -357.307 165.267 20.7423 -74.4015 -302.673 60.6087 -63.9968 19.6748 -41.3892 PRESSAVG: 876800 -2.90764 -19.8766 14.8829 -19.8768 23.4841 -70.7613 14.883 -70.7612 -17.5079 GPRESSAVG: 876800 -3.36434 -20.8385 17.9627 -18.6254 23.868 -72.2457 13.4504 -69.3845 -17.8698 TIMING: 876800 CPU: 2599.98, 0.00295742/step Wall: 2599.98, 0.00295742/step, 3.38723 hours remaining, 206.562500 MB of memory in use. ENERGY: 876800 795.9272 2055.8464 1952.8324 118.8760 -205941.0111 17518.5290 0.0000 0.0000 34484.6466 -149014.3535 301.1630 -183499.0001 -148914.3530 300.3705 -265.3106 -233.7899 558249.3323 1.0228 0.8779 PRESSURE: 877000 -50.5198 76.3986 -183.804 76.4001 -204.574 -183.36 -183.803 -183.362 5.63699 GPRESSURE: 877000 4.07581 133.53 -160.349 56.6734 -211.997 -107.293 -189.341 -251.49 54.4038 PRESSAVG: 877000 14.4171 5.05012 -57.4192 5.05011 -2.4406 -58.5004 -57.4192 -58.5004 -13.6946 GPRESSAVG: 877000 15.0839 4.50916 -60.1106 6.16729 -3.49877 -59.6213 -55.8215 -57.6399 -13.7826 TIMING: 877000 CPU: 2600.58, 0.00295654/step Wall: 2600.58, 0.00295654/step, 3.38605 hours remaining, 206.562500 MB of memory in use. ENERGY: 877000 714.7618 2069.2270 1960.4586 107.7512 -205821.5457 17583.9073 0.0000 0.0000 34286.5688 -149098.8710 299.4331 -183385.4398 -149001.4552 299.9555 -83.1522 -51.1726 558152.3172 -0.5727 -0.7325 PRESSURE: 877200 -77.9248 -121.342 177.707 -121.343 80.7927 67.4187 177.707 67.4171 -107.76 GPRESSURE: 877200 5.95144 -94.5733 175.763 -120.844 53.3118 106.828 208.421 -34.2212 -60.5414 PRESSAVG: 877200 33.9228 -50.3514 -54.1254 -50.3514 32.3002 -10.2712 -54.1254 -10.2712 -48.2277 GPRESSAVG: 877200 32.8 -49.2091 -53.3738 -49.5471 32.2687 -7.7881 -54.1646 -11.436 -46.8124 TIMING: 877200 CPU: 2601.17, 0.00297042/step Wall: 2601.17, 0.00297042/step, 3.40179 hours remaining, 206.562500 MB of memory in use. ENERGY: 877200 776.0466 2100.2763 1939.3912 122.2663 -206186.6722 17755.9787 0.0000 0.0000 34241.3970 -149251.3161 299.0386 -183492.7131 -149156.5905 299.1774 -34.9641 -0.4261 555838.6275 5.9984 6.0854 PRESSURE: 877400 2.03294 131.906 101.26 131.906 538.777 123.358 101.261 123.358 166.395 GPRESSURE: 877400 -20.7229 113.577 95.4344 113.35 538.092 115.225 79.7813 54.985 288.484 PRESSAVG: 877400 -25.8414 -31.4237 38.9466 -31.4237 53.2552 -33.1632 38.9466 -33.1632 28.3818 GPRESSAVG: 877400 -26.3056 -33.5686 38.9846 -32.7814 54.2504 -33.6851 39.9919 -31.998 28.5939 TIMING: 877400 CPU: 2601.76, 0.00296/step Wall: 2601.76, 0.00296/step, 3.38969 hours remaining, 206.562500 MB of memory in use. ENERGY: 877400 787.7861 2071.6069 1933.6207 106.8895 -206575.8521 18248.9978 0.0000 0.0000 34124.1361 -149302.8151 298.0146 -183426.9512 -149206.6963 298.4583 235.7350 268.6178 554642.4012 18.5985 18.8463 PRESSURE: 877600 278.304 23.375 -53.2326 23.3761 53.098 29.5835 -53.2327 29.5817 143.776 GPRESSURE: 877600 262.202 47.2974 -11.2924 76.7863 155.609 -9.55713 -80.7116 18.5933 146.609 PRESSAVG: 877600 -72.6349 -67.3685 12.903 -67.3686 71.4894 -16.0931 12.9029 -16.0931 20.1427 GPRESSAVG: 877600 -71.9235 -66.9537 12.6272 -67.3078 71.2455 -15.3745 11.852 -16.9361 19.9285 TIMING: 877600 CPU: 2602.35, 0.00296127/step Wall: 2602.35, 0.00296127/step, 3.39098 hours remaining, 206.562500 MB of memory in use. ENERGY: 877600 777.8900 2080.8738 1958.2496 116.3737 -206499.3496 18070.0280 0.0000 0.0000 34154.1064 -149341.8280 298.2763 -183495.9344 -149246.2117 298.8223 158.3927 188.1400 557069.4402 6.3324 6.4168 PRESSURE: 877800 -257.908 60.4863 -139.113 60.4852 -207.297 -40.4356 -139.114 -40.4371 -229.548 GPRESSURE: 877800 -222.392 45.6852 -124.39 123.931 -170.899 45.5266 -129.797 -94.8013 -195.124 PRESSAVG: 877800 -36.7946 23.1066 -11.6707 23.1065 -9.10821 57.8534 -11.6707 57.8534 60.0233 GPRESSAVG: 877800 -36.6113 23.9583 -9.81158 23.1367 -7.83178 58.0903 -12.5938 56.2719 58.8216 TIMING: 877800 CPU: 2602.94, 0.0029479/step Wall: 2602.94, 0.0029479/step, 3.37551 hours remaining, 206.562500 MB of memory in use. ENERGY: 877800 810.3795 2080.4359 1962.5794 107.9415 -206308.7148 17775.1417 0.0000 0.0000 34157.1072 -149415.1297 298.3025 -183572.2368 -149321.7267 298.7790 -231.5844 -196.1381 557550.5150 4.7068 4.7928 PRESSURE: 878000 -38.3555 79.1605 -87.6625 79.1611 29.6113 -114.488 -87.663 -114.487 -135.06 GPRESSURE: 878000 -21.9499 71.0218 -139.592 83.3441 44.701 -86.4943 -27.4514 -117.263 -68.7635 PRESSAVG: 878000 -53.2175 7.29377 13.202 7.2937 39.6706 42.1657 13.202 42.1658 11.604 GPRESSAVG: 878000 -51.9777 8.63355 12.3255 5.11686 37.9792 42.0939 14.052 45.1093 11.9814 TIMING: 878000 CPU: 2603.53, 0.00295384/step Wall: 2603.53, 0.00295384/step, 3.38215 hours remaining, 206.562500 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: 878000 767.0767 2096.5893 1952.4779 128.6359 -206315.8694 17808.6090 0.0000 0.0000 34311.9650 -149250.5155 299.6549 -183562.4805 -149153.7584 298.8303 -47.9347 -15.3375 556237.6865 -0.6476 -0.6724 PRESSURE: 878200 65.6312 138.331 15.7246 138.331 -96.0413 -30.4407 15.7235 -30.4405 78.9183 GPRESSURE: 878200 127.873 130.981 -53.6986 162.73 -49.9923 31.2257 9.42248 -41.0904 65.194 PRESSAVG: 878200 26.1066 42.1059 -23.9746 42.106 -19.9174 -4.89514 -23.9747 -4.89508 -12.2221 GPRESSAVG: 878200 25.8099 40.9277 -24.2559 43.0854 -19.0957 -6.65572 -24.0359 -5.10131 -12.2574 TIMING: 878200 CPU: 2604.13, 0.00296734/step Wall: 2604.13, 0.00296734/step, 3.39744 hours remaining, 206.562500 MB of memory in use. ENERGY: 878200 747.0267 2087.6172 1950.9487 115.8054 -206308.9139 18002.5154 0.0000 0.0000 34221.3625 -149183.6380 298.8637 -183405.0005 -149082.6709 299.6714 16.1694 47.6914 556057.6195 -2.0109 -1.8478 PRESSURE: 878400 -118.489 92.6803 39.7666 92.6804 -101.193 3.95559 39.7676 3.95517 53.9159 GPRESSURE: 878400 -89.2548 56.6194 -0.22416 119.381 -105.368 47.821 0.522277 65.9835 124.426 PRESSAVG: 878400 -5.8768 100.009 31.1428 100.009 -2.62972 18.2688 31.1429 18.2689 8.61432 GPRESSAVG: 878400 -6.44777 100.081 33.0516 99.7844 -2.17192 17.6289 29.6024 18.2559 9.07853 TIMING: 878400 CPU: 2604.72, 0.00295581/step Wall: 2604.72, 0.00295581/step, 3.38407 hours remaining, 206.562500 MB of memory in use. ENERGY: 878400 744.5550 2094.3100 1961.0467 109.5732 -205946.4152 17767.9110 0.0000 0.0000 34305.4955 -148963.5238 299.5984 -183269.0193 -148865.3232 299.7508 -55.2554 -23.3989 556734.1091 0.0359 0.1529 PRESSURE: 878600 -16.7488 63.5397 109.208 63.5396 49.9121 -17.0996 109.207 -17.0992 -165.753 GPRESSURE: 878600 -5.47986 54.9724 136.458 118.59 44.0404 -17.2892 91.1969 -84.3787 -75.9571 PRESSAVG: 878600 -9.90961 -8.36705 74.635 -8.3671 14.2372 6.83067 74.635 6.83063 10.4001 GPRESSAVG: 878600 -9.24009 -7.26364 74.0496 -7.62069 13.1927 8.17777 76.6598 6.53516 11.2832 TIMING: 878600 CPU: 2605.31, 0.00294704/step Wall: 2605.31, 0.00294704/step, 3.37387 hours remaining, 206.562500 MB of memory in use. ENERGY: 878600 767.2990 2119.1892 1922.9727 119.2804 -206071.1159 17725.9823 0.0000 0.0000 34451.4259 -148964.9665 300.8729 -183416.3924 -148861.9229 299.8777 -44.1966 -12.4655 556956.3607 4.9092 5.0786 PRESSURE: 878800 -269.547 106.404 110.24 106.406 65.4171 -6.2421 110.241 -6.24239 51.6016 GPRESSURE: 878800 -222.188 5.10246 37.7299 159.271 66.3567 -22.5065 172.014 -0.317094 104.358 PRESSAVG: 878800 -58.4513 -48.8198 47.6324 -48.8198 2.0178 -23.3496 47.6324 -23.3496 48.792 GPRESSAVG: 878800 -58.7868 -49.1434 49.0355 -50.1068 3.13248 -23.3839 47.01 -23.273 48.3407 TIMING: 878800 CPU: 2605.9, 0.0029797/step Wall: 2605.9, 0.0029797/step, 3.4111 hours remaining, 206.562500 MB of memory in use. ENERGY: 878800 751.0267 2134.4740 1906.5087 101.2697 -206110.3701 17796.1258 0.0000 0.0000 34229.2730 -149191.6923 298.9328 -183420.9653 -149088.4983 300.4144 -50.8428 -17.1578 557940.7627 -2.5472 -2.4379 PRESSURE: 879000 -181.21 84.953 -5.52635 84.9516 90.028 -38.1773 -5.5262 -38.1773 -253.357 GPRESSURE: 879000 -142.427 35.1091 36.3881 85.3133 95.9924 -34.6542 -43.4502 -56.1783 -200.242 PRESSAVG: 879000 5.68872 39.6065 -32.5216 39.6066 62.7296 -11.2722 -32.5217 -11.2723 -18.1894 GPRESSAVG: 879000 6.467 39.6489 -33.1231 40.1343 61.8036 -11.9204 -31.0051 -10.3293 -17.9151 TIMING: 879000 CPU: 2606.51, 0.00302501/step Wall: 2606.51, 0.00302501/step, 3.4628 hours remaining, 206.562500 MB of memory in use. ENERGY: 879000 753.7741 2075.9641 1921.4555 111.0709 -206079.3708 17608.1656 0.0000 0.0000 34250.8036 -149358.1371 299.1208 -183608.9407 -149258.5343 299.6846 -114.8464 -82.2253 558237.4285 16.7430 16.7852 PRESSURE: 879200 61.4378 152.639 -51.6439 152.641 -10.586 -35.7176 -51.6432 -35.7175 -112.52 GPRESSURE: 879200 52.2795 193.21 -30.0358 168.045 32.9884 -34.0856 -84.1731 -89.7151 -62.1553 PRESSAVG: 879200 -20.905 44.5981 -54.8197 44.5981 43.4339 37.7226 -54.8197 37.7227 -0.296814 GPRESSAVG: 879200 -20.2375 44.2689 -57.2139 45.617 43.3805 37.1622 -53.7079 35.9066 -0.602774 TIMING: 879200 CPU: 2607.11, 0.00298731/step Wall: 2607.11, 0.00298731/step, 3.41948 hours remaining, 206.562500 MB of memory in use. ENERGY: 879200 750.3833 2145.5770 1940.4444 102.5736 -206189.1554 17699.3874 0.0000 0.0000 34222.4055 -149328.3843 298.8728 -183550.7898 -149231.9268 298.8106 -20.5559 7.7042 557297.9980 7.4107 7.5134 PRESSURE: 879400 -76.9678 -1.71885 -11.5874 -1.71774 -69.5464 -20.6551 -11.5859 -20.657 -142.52 GPRESSURE: 879400 -35.7746 20.0898 -28.148 10.8534 -40.0193 -30.7663 9.76452 -62.7406 -143.473 PRESSAVG: 879400 29.8028 -10.4489 -46.6015 -10.4489 66.3676 -45.9302 -46.6015 -45.9301 -16.6779 GPRESSAVG: 879400 29.5734 -9.09437 -46.1718 -13.0738 67.6596 -45.1027 -48.0152 -45.0155 -18.0582 TIMING: 879400 CPU: 2607.7, 0.00297839/step Wall: 2607.7, 0.00297839/step, 3.4091 hours remaining, 206.562500 MB of memory in use. ENERGY: 879400 749.3568 2117.3673 1925.3577 113.8548 -206637.9308 17911.6787 0.0000 0.0000 34337.6859 -149482.6296 299.8796 -183820.3155 -149373.6052 298.8024 -96.3448 -73.0891 558702.1831 26.4975 26.3916 PRESSURE: 879600 -49.564 17.1759 108.228 17.1756 64.7257 356.921 108.228 356.92 -154.874 GPRESSURE: 879600 -37.0396 1.24845 99.4163 117.894 101.809 409.458 56.6236 280.7 -104.401 PRESSAVG: 879600 10.6501 8.21754 -5.71377 8.21759 21.9225 42.4962 -5.71369 42.4962 -56.724 GPRESSAVG: 879600 10.7083 5.05756 -4.15077 11.2287 21.9476 39.872 -6.03348 43.2951 -56.6629 TIMING: 879600 CPU: 2608.31, 0.00301545/step Wall: 2608.31, 0.00301545/step, 3.45135 hours remaining, 206.562500 MB of memory in use. ENERGY: 879600 750.2435 2112.4487 1952.0954 108.8538 -206372.9798 17851.4293 0.0000 0.0000 34352.9678 -149244.9413 300.0130 -183597.9091 -149148.8645 299.0070 -46.5707 -13.2105 558371.3795 -8.0505 -8.0023 PRESSURE: 879800 217.545 -134.734 2.90373 -134.734 109.285 -42.0638 2.90218 -42.0639 -141.038 GPRESSURE: 879800 245.851 -102.874 -45.7282 -164.52 157.327 50.7102 -1.6549 -191.003 -110.552 PRESSAVG: 879800 -7.52992 16.6471 -44.8759 16.6471 -25.3924 -9.18513 -44.8759 -9.18511 24.0092 GPRESSAVG: 879800 -7.71624 17.6142 -46.0148 14.8887 -26.7883 -6.14297 -44.0238 -9.28196 25.2702 TIMING: 879800 CPU: 2608.9, 0.00295661/step Wall: 2608.9, 0.00295661/step, 3.38384 hours remaining, 206.562500 MB of memory in use. ENERGY: 879800 744.3174 2065.1755 1971.3449 107.9293 -206367.0698 17928.6222 0.0000 0.0000 34339.3063 -149210.3741 299.8937 -183549.6804 -149107.1916 299.1596 61.9306 97.5417 556820.1989 -2.9710 -3.0781 PRESSURE: 880000 14.12 -25.0637 103.252 -25.0644 -221.622 -72.8162 103.251 -72.8164 86.8996 GPRESSURE: 880000 43.5845 -52.0818 46.1457 -37.1878 -251.032 -125.963 117.027 -20.7754 204.261 PRESSAVG: 880000 54.9189 -46.1638 32.2099 -46.1638 -49.3461 56.7455 32.2099 56.7455 -14.5698 GPRESSAVG: 880000 54.485 -46.2937 31.6478 -45.3927 -49.3293 55.287 31.6477 56.8671 -13.379 TIMING: 880000 CPU: 2609.49, 0.00294385/step Wall: 2609.49, 0.00294385/step, 3.36907 hours remaining, 206.562500 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: 880000 763.7695 2035.2063 1967.1277 117.2069 -206379.4284 17878.6446 0.0000 0.0000 34466.4727 -149151.0007 301.0043 -183617.4734 -149057.8119 299.2484 -40.2009 -1.0621 558276.2607 -2.9990 -2.7411 PRESSURE: 880200 -67.8753 -77.0182 166.422 -77.0181 13.2831 -17.3512 166.421 -17.3518 -29.7085 GPRESSURE: 880200 -35.9006 -46.2757 201.947 -46.7565 38.6259 32.0284 118.337 -60.224 13.813 PRESSAVG: 880200 15.1795 -18.9816 61.0973 -18.9815 -3.23778 6.82409 61.0973 6.82412 0.880694 GPRESSAVG: 880200 12.9639 -18.0423 61.1129 -18.5576 -1.71287 6.87313 61.5654 6.03525 0.771219 TIMING: 880200 CPU: 2610.08, 0.0029598/step Wall: 2610.08, 0.0029598/step, 3.38716 hours remaining, 206.562500 MB of memory in use. ENERGY: 880200 770.1097 2132.1435 1945.6167 120.6519 -206306.3801 17888.7182 0.0000 0.0000 34227.9060 -149221.2342 298.9208 -183449.1402 -149125.4244 299.5497 -28.1002 5.5128 557617.4644 4.2741 4.0074 LDB: ============= START OF LOAD BALANCING ============== 2613.51 LDB: ============== END OF LOAD BALANCING =============== 2613.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2613.51 LDB: ============= START OF LOAD BALANCING ============== 2613.81 LDB: Largest compute 4848 load 0.030182 is 25.6% of average load 0.117761 LDB: Average compute 0.001745 is 1.5% of average load 0.117761 LDB: TIME 2613.81 LOAD: AVG 0.117761 MAX 0.196766 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.793 MB LDB: TIME 2613.81 LOAD: AVG 0.117761 MAX 0.196766 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: TIME 2613.81 LOAD: AVG 0.117761 MAX 0.196766 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2613.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2613.82 PRESSURE: 880400 -75.2951 -10.8905 137.776 -10.8904 69.3167 -48.393 137.774 -48.3926 -285.334 GPRESSURE: 880400 18.805 40.8648 240.31 -25.1406 85.9349 -233.13 94.0815 -0.933501 -288.572 PRESSAVG: 880400 -9.29188 -1.9863 -18.0464 -1.98632 11.0202 4.37714 -18.0465 4.37726 42.6092 GPRESSAVG: 880400 -8.20048 -3.24497 -17.0149 -1.38203 10.4252 3.24873 -17.1579 6.97021 42.5286 TIMING: 880400 CPU: 2610.69, 0.00303906/step Wall: 2610.69, 0.00303906/step, 3.47769 hours remaining, 207.277344 MB of memory in use. ENERGY: 880400 737.3754 2096.4847 1961.1366 101.4364 -206161.4967 17673.5605 0.0000 0.0000 34178.4440 -149413.0590 298.4889 -183591.5030 -149311.7226 298.9790 -97.1042 -61.2775 557139.9693 14.7792 14.9178 PRESSURE: 880600 -1.27152 -43.7595 -188.543 -43.7604 -118.382 1.98273 -188.542 1.98278 -304.814 GPRESSURE: 880600 81.502 -111.5 -75.2748 -12.9177 -134.79 -12.3224 -261.319 -89.853 -273.351 PRESSAVG: 880600 -16.4152 -4.17371 14.6421 -4.17381 25.5903 21.8693 14.642 21.8693 3.66578 GPRESSAVG: 880600 -15.6728 -3.7282 13.8529 -3.22557 24.5595 23.5226 13.3776 19.2103 3.5485 TIMING: 880600 CPU: 2611.28, 0.00298056/step Wall: 2611.28, 0.00298056/step, 3.41059 hours remaining, 207.277344 MB of memory in use. ENERGY: 880600 775.6946 2047.1292 1964.5788 120.9764 -206148.4325 17670.8544 0.0000 0.0000 34281.3912 -149287.8080 299.3879 -183569.1992 -149190.9963 298.1527 -141.4892 -108.8799 558008.6304 4.2803 4.1451 PRESSURE: 880800 -23.9078 60.1275 88.9159 60.1283 -235.715 113.129 88.9163 113.13 181.619 GPRESSURE: 880800 26.6883 14.5881 84.9356 102.578 -156.518 125.712 62.9367 154.082 141.332 PRESSAVG: 880800 26.6271 -64.3812 -15.7508 -64.3811 9.96881 35.9329 -15.7507 35.9329 40.9418 GPRESSAVG: 880800 26.5289 -65.8543 -14.6222 -65.8455 10.2523 35.3764 -14.361 36.7522 41.2194 TIMING: 880800 CPU: 2611.88, 0.00298818/step Wall: 2611.88, 0.00298818/step, 3.41914 hours remaining, 207.277344 MB of memory in use. ENERGY: 880800 755.6333 2034.0686 1952.5754 122.5823 -206332.3292 17876.8435 0.0000 0.0000 34143.9393 -149446.6868 298.1875 -183590.6261 -149351.2104 298.9267 -26.0015 3.8341 557450.6350 25.8459 26.0002 PRESSURE: 881000 -113.892 -60.9221 49.8041 -60.9196 -8.47951 100.797 49.8051 100.798 25.8179 GPRESSURE: 881000 -123.508 -75.0816 -20.8894 -73.307 42.0251 164.06 38.5072 43.3195 87.7698 PRESSAVG: 881000 15.5709 -32.9107 24.5246 -32.9106 -93.4312 13.4121 24.5246 13.4121 22.5009 GPRESSAVG: 881000 15.2947 -32.3296 22.7896 -32.0107 -93.069 14.0585 23.8539 11.3835 22.3602 TIMING: 881000 CPU: 2612.48, 0.00298607/step Wall: 2612.48, 0.00298607/step, 3.41656 hours remaining, 207.277344 MB of memory in use. ENERGY: 881000 737.9223 2074.8710 1938.9512 109.5626 -206205.7725 17657.5290 0.0000 0.0000 34193.5604 -149493.3761 298.6209 -183686.9365 -149391.8206 298.3022 -32.1846 2.0955 556453.2380 -18.4531 -18.4714 PRESSURE: 881200 -115.409 -6.66347 -53.5341 -6.66239 -46.7235 42.6487 -53.534 42.6487 -216.882 GPRESSURE: 881200 -92.0801 14.9527 -105.337 71.0827 -1.56454 37.1823 -1.52198 65.8344 -180.539 PRESSAVG: 881200 -20.2982 -51.2586 -30.7336 -51.2586 80.1161 -41.6288 -30.7336 -41.6287 -52.657 GPRESSAVG: 881200 -20.4149 -52.143 -30.0746 -50.514 81.076 -43.2901 -30.5377 -40.124 -53.4627 TIMING: 881200 CPU: 2613.07, 0.00298042/step Wall: 2613.07, 0.00298042/step, 3.40993 hours remaining, 207.277344 MB of memory in use. ENERGY: 881200 782.1922 2001.5472 1954.8455 111.2456 -206509.6350 17674.6452 0.0000 0.0000 34246.8163 -149738.3431 299.0860 -183985.1595 -149642.3611 297.7843 -126.3381 -91.3946 555181.9297 2.3870 2.3995 PRESSURE: 881400 -220.777 -114.843 141.352 -114.844 60.8358 231.77 141.352 231.77 -310.435 GPRESSURE: 881400 -216.331 -91.8759 180.929 -75.5408 62.5143 229.1 44.9991 223.954 -208.784 PRESSAVG: 881400 14.9646 19.8896 0.759328 19.8896 80.8953 0.926344 0.759322 0.926326 -62.8622 GPRESSAVG: 881400 14.8957 21.5903 -0.250881 18.3925 80.3061 1.03706 3.00614 0.102488 -62.8603 TIMING: 881400 CPU: 2613.66, 0.00295739/step Wall: 2613.66, 0.00295739/step, 3.38342 hours remaining, 207.277344 MB of memory in use. ENERGY: 881400 721.6553 2063.6839 1922.4387 119.8229 -206184.8542 17625.5695 0.0000 0.0000 33920.4312 -149811.2527 296.2356 -183731.6839 -149708.3086 298.1777 -156.7919 -120.8668 556934.9235 10.9992 10.7805 PRESSURE: 881600 -172.285 -206.601 -0.437345 -206.6 283.709 -119.038 -0.43678 -119.038 -7.95494 GPRESSURE: 881600 -96.5943 -166.129 -81.7037 -193.281 303.319 -189.936 70.3721 -68.1649 -5.59158 PRESSAVG: 881600 17.9519 -16.5201 -6.53079 -16.5201 44.6614 -20.5793 -6.53079 -20.5793 -40.0356 GPRESSAVG: 881600 18.3725 -15.5311 -6.3241 -17.3826 44.2592 -18.1682 -8.06615 -20.7023 -40.1808 TIMING: 881600 CPU: 2614.26, 0.0029541/step Wall: 2614.26, 0.0029541/step, 3.37949 hours remaining, 207.277344 MB of memory in use. ENERGY: 881600 730.4974 2035.9284 1956.7824 106.3964 -206335.3209 17826.9837 0.0000 0.0000 33812.1972 -149866.5353 295.2903 -183678.7324 -149764.8732 297.4987 34.4897 67.0443 556547.1805 7.5259 7.4836 PRESSURE: 881800 89.21 13.4748 38.0004 13.474 -130.085 -55.297 38.0012 -55.2985 249.275 GPRESSURE: 881800 121.09 -48.6087 -15.9342 66.7211 -92.7845 -38.9443 68.3991 -53.8016 271.994 PRESSAVG: 881800 -22.4272 -10.7381 7.93653 -10.7381 0.794382 15.5244 7.93652 15.5245 11.5095 GPRESSAVG: 881800 -22.6066 -12.365 9.13766 -10.2384 0.783552 13.8294 7.51043 15.9172 11.1742 TIMING: 881800 CPU: 2614.85, 0.00299528/step Wall: 2614.85, 0.00299528/step, 3.42643 hours remaining, 207.277344 MB of memory in use. ENERGY: 881800 755.5233 2032.1671 1966.4031 107.9383 -207031.9622 18196.3412 0.0000 0.0000 34116.9544 -149856.6348 297.9518 -183973.5892 -149761.3403 296.9933 69.4665 100.0998 556654.9881 -3.3744 -3.5496 PRESSURE: 882000 -186.632 40.0059 -12.2445 40.0067 -139.28 68.791 -12.2457 68.7909 -18.3051 GPRESSURE: 882000 -181.34 10.3159 47.4945 69.9477 -54.36 -52.2952 -34.0867 169.643 0.966341 PRESSAVG: 882000 -24.0239 15.325 17.5136 15.3251 13.8033 -20.2161 17.5137 -20.2161 28.6507 GPRESSAVG: 882000 -25.1949 15.1083 16.8726 15.1653 13.0614 -22.4984 18.7126 -17.6081 29.5572 TIMING: 882000 CPU: 2615.45, 0.00299118/step Wall: 2615.45, 0.00299118/step, 3.42157 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: 882000 737.3674 2036.3762 1936.5228 101.6971 -206337.3108 17714.9997 0.0000 0.0000 34039.0359 -149771.3117 297.2714 -183810.3476 -149678.4055 298.1868 -114.7391 -78.2444 557064.7663 6.1434 5.8079 PRESSURE: 882200 -91.5744 -11.5921 -30.578 -11.5922 -115.184 -54.9838 -30.5792 -54.9829 85.6869 GPRESSURE: 882200 -70.658 -119.665 55.8623 23.4757 -76.8323 -35.7408 -63.4035 -35.8748 124.639 PRESSAVG: 882200 35.7198 24.0073 2.11898 24.0073 17.4035 90.3015 2.11894 90.3015 -49.0865 GPRESSAVG: 882200 36.4412 24.1415 3.37095 24.6075 18.1329 93.166 0.548883 87.1113 -50.6315 TIMING: 882200 CPU: 2616.05, 0.00299166/step Wall: 2616.05, 0.00299166/step, 3.42196 hours remaining, 207.277344 MB of memory in use. ENERGY: 882200 725.5581 2058.1866 1958.4363 105.1799 -206311.7280 17787.0599 0.0000 0.0000 33929.9871 -149747.3203 296.3190 -183677.3074 -149645.7846 297.3500 -40.3572 -7.6170 556353.6447 1.3456 1.3142 PRESSURE: 882400 -162.95 -40.4119 3.28812 -40.4119 -120.55 111.301 3.28837 111.3 -251.471 GPRESSURE: 882400 -123.93 63.5904 36.3974 -50.9681 -104.599 95.8977 -41.124 154.335 -224.33 PRESSAVG: 882400 18.307 21.5344 12.7735 21.5344 19.9974 -17.2291 12.7736 -17.2291 29.5669 GPRESSAVG: 882400 18.2958 21.9711 10.9058 22.4395 19.1894 -17.4154 15.1839 -14.89 29.8632 TIMING: 882400 CPU: 2616.65, 0.00298582/step Wall: 2616.65, 0.00298582/step, 3.41512 hours remaining, 207.277344 MB of memory in use. ENERGY: 882400 748.1791 2125.2581 1934.9272 106.3669 -206597.4183 17679.3844 0.0000 0.0000 34175.1648 -149828.1378 298.4602 -184003.3027 -149733.8956 298.4074 -178.3238 -150.9533 557043.5145 22.6237 22.4495 PRESSURE: 882600 105.009 34.8212 -50.2114 34.8206 -318.309 107.155 -50.2114 107.154 23.6909 GPRESSURE: 882600 110.883 133.301 57.5299 -28.4611 -244.369 19.7208 -54.7039 144.786 25.1748 PRESSAVG: 882600 27.4238 4.46658 -18.2923 4.46652 -53.984 6.42539 -18.2923 6.42531 31.5932 GPRESSAVG: 882600 27.5141 6.50928 -15.9635 2.44313 -53.5283 5.34865 -19.4483 7 31.276 TIMING: 882600 CPU: 2617.24, 0.00294578/step Wall: 2617.24, 0.00294578/step, 3.36916 hours remaining, 207.277344 MB of memory in use. ENERGY: 882600 758.7053 2062.5197 1921.2375 110.0839 -206492.0493 17873.3790 0.0000 0.0000 33882.3312 -149883.7927 295.9028 -183766.1239 -149787.6007 297.1788 -63.2029 -36.1038 556156.1238 1.6777 1.7539 PRESSURE: 882800 -43.0644 146.393 -41.7041 146.393 41.1239 64.7419 -41.7034 64.7418 0.141097 GPRESSURE: 882800 16.7028 148.871 -46.2274 186.831 31.5195 85.584 15.9308 31.8857 41.6762 PRESSAVG: 882800 24.9062 -1.9663 -9.19886 -1.96627 -19.7699 1.36108 -9.19892 1.36103 25.1235 GPRESSAVG: 882800 23.8979 -1.77835 -10.187 -3.22573 -19.4675 1.37403 -10.0397 -0.921098 26.0951 TIMING: 882800 CPU: 2617.82, 0.00293503/step Wall: 2617.82, 0.00293503/step, 3.3567 hours remaining, 207.277344 MB of memory in use. ENERGY: 882800 779.0366 2114.2611 1955.7205 113.3149 -206855.2429 18059.2519 0.0000 0.0000 34055.0208 -149778.6371 297.4110 -183833.6579 -149678.7304 297.6990 -0.5998 29.9661 555148.8224 10.0866 10.1752 PRESSURE: 883000 -189.168 -37.1137 -123.881 -37.1128 -69.4938 -256.012 -123.88 -256.013 -180.723 GPRESSURE: 883000 -146.668 -107.978 -103.235 9.49706 -63.2117 -221.555 -125.713 -247.904 -130.312 PRESSAVG: 883000 -18.8541 7.11019 -44.522 7.11013 64.1573 7.48224 -44.5219 7.48224 -49.3612 GPRESSAVG: 883000 -18.5928 6.87417 -44.4754 7.05372 63.428 7.83883 -45.3221 8.98545 -49.1625 TIMING: 883000 CPU: 2618.41, 0.00295313/step Wall: 2618.41, 0.00295313/step, 3.37723 hours remaining, 207.277344 MB of memory in use. ENERGY: 883000 784.9567 2135.1440 1944.7511 119.1578 -206660.9225 17760.6626 0.0000 0.0000 34006.4374 -149909.8129 296.9867 -183916.2503 -149827.7890 297.5794 -146.4617 -113.3971 557633.2794 -1.3527 -1.4424 PRESSURE: 883200 114.74 29.1681 -141.958 29.1683 -51.7244 121.95 -141.957 121.95 -139.793 GPRESSURE: 883200 165.199 60.9421 -182.578 -69.6135 -43.5437 37.1537 -135.33 126.001 -107.11 PRESSAVG: 883200 -9.92064 0.193041 -6.53137 0.193016 -1.07053 -3.97071 -6.5314 -3.97072 24.1833 GPRESSAVG: 883200 -10.313 -2.52063 -5.59394 1.10811 -1.16567 -3.84477 -6.07049 -3.16168 24.7646 TIMING: 883200 CPU: 2619.01, 0.00297338/step Wall: 2619.01, 0.00297338/step, 3.40022 hours remaining, 207.277344 MB of memory in use. ENERGY: 883200 758.7356 2117.4818 1964.8511 100.2132 -206359.3346 17739.5494 0.0000 0.0000 34091.5619 -149586.9416 297.7301 -183678.5036 -149489.0514 297.7731 -25.5925 4.8483 557577.7284 4.3974 4.4286 PRESSURE: 883400 -192.194 -18.255 -126.342 -18.2551 106.104 53.4067 -126.343 53.4055 -58.8301 GPRESSURE: 883400 -142.867 -30.4589 -192.271 -19.8022 173.117 69.4453 -59.847 50.9953 -81.6209 PRESSAVG: 883400 23.3053 10.7628 -2.64306 10.7627 18.641 -2.99489 -2.64318 -2.99487 -5.8648 GPRESSAVG: 883400 24.2801 11.6639 -5.87637 13.1378 19.3445 -1.01552 -1.20288 -4.20475 -7.9163 TIMING: 883400 CPU: 2619.6, 0.00295161/step Wall: 2619.6, 0.00295161/step, 3.37516 hours remaining, 207.277344 MB of memory in use. ENERGY: 883400 742.7662 2131.1783 1963.9111 117.8675 -206537.9933 17879.8193 0.0000 0.0000 34042.2000 -149660.2509 297.2990 -183702.4509 -149568.2982 297.6373 -48.3066 -17.1237 557036.7018 12.0272 11.9028 PRESSURE: 883600 9.73161 39.9987 179.812 39.9978 145.383 5.67919 179.813 5.68055 -77.3125 GPRESSURE: 883600 44.5156 8.46146 190.65 50.6999 132.618 33.8669 214.916 -17.6377 -11.65 PRESSAVG: 883600 26.494 58.2407 17.7588 58.2408 7.00043 -60.2841 17.7589 -60.284 -14.264 GPRESSAVG: 883600 26.631 58.3739 19.605 55.0239 7.59349 -62.8673 16.5974 -59.7828 -14.7338 TIMING: 883600 CPU: 2620.19, 0.00296301/step Wall: 2620.19, 0.00296301/step, 3.38804 hours remaining, 207.277344 MB of memory in use. ENERGY: 883600 738.1766 2123.4581 1933.9717 117.6450 -206674.3328 18006.6823 0.0000 0.0000 34070.3762 -149684.0229 297.5451 -183754.3990 -149585.6435 296.9768 25.9340 55.1610 557050.5389 6.4102 6.4969 PRESSURE: 883800 -92.2569 30.11 -128.383 30.1095 260.672 -81.0545 -128.382 -81.055 -332.884 GPRESSURE: 883800 -27.1194 30.5977 -94.2394 4.42242 263.554 -136.884 -160.516 -71.0967 -305.29 PRESSAVG: 883800 39.2801 28.2583 16.8326 28.2583 35.0168 -13.0902 16.8326 -13.0902 -36.3622 GPRESSAVG: 883800 39.1765 29.5142 16.7352 30.5541 33.632 -13.7364 16.9625 -13.4199 -34.491 TIMING: 883800 CPU: 2620.78, 0.00295491/step Wall: 2620.78, 0.00295491/step, 3.37861 hours remaining, 207.277344 MB of memory in use. ENERGY: 883800 737.3490 2085.4265 1934.3589 109.2028 -206316.9159 17709.2158 0.0000 0.0000 33988.4990 -149752.8640 296.8300 -183741.3629 -149654.1587 297.4972 -54.8229 -22.9520 557701.3834 12.6449 12.7725 PRESSURE: 884000 330.943 -55.0919 22.7459 -55.0925 219.115 120.772 22.7455 120.773 66.5041 GPRESSURE: 884000 344.931 -140.169 -49.816 -25.6092 243.169 103.105 110.045 173.287 110.231 PRESSAVG: 884000 52.4927 22.9867 -19.9818 22.9866 20.5307 63.1403 -19.9818 63.1403 -77.4232 GPRESSAVG: 884000 53.1729 22.7735 -19.2211 20.5036 20.8024 64.1407 -20.4781 63.0949 -78.4039 TIMING: 884000 CPU: 2621.37, 0.00294497/step Wall: 2621.37, 0.00294497/step, 3.36708 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: 884000 751.2618 2094.3687 1917.3749 119.0104 -206813.1686 18276.0023 0.0000 0.0000 34015.4659 -149639.6846 297.0655 -183655.1505 -149544.3990 297.4426 205.5209 232.7771 555769.3738 -1.4666 -1.4762 PRESSURE: 884200 13.9909 -113.621 49.097 -113.621 24.3171 101.485 49.0972 101.484 -199.946 GPRESSURE: 884200 1.77487 -63.3892 144.343 -33.4813 55.5586 120.442 2.19749 69.1067 -130.82 PRESSAVG: 884200 -17.4604 1.27675 -18.0212 1.27676 -36.2047 13.0838 -18.0212 13.0839 29.4265 GPRESSAVG: 884200 -18.5505 1.56188 -20.8629 2.41556 -36.1894 14.2909 -15.3537 12.0338 30.2921 TIMING: 884200 CPU: 2621.96, 0.00294875/step Wall: 2621.96, 0.00294875/step, 3.37124 hours remaining, 207.277344 MB of memory in use. ENERGY: 884200 721.1825 2111.9907 1927.8197 109.3433 -206363.9774 17736.2767 0.0000 0.0000 33927.0826 -149830.2818 296.2937 -183757.3644 -149737.5865 296.9567 -53.8794 -24.4954 556079.3381 -8.0795 -8.1493 LDB: ============= START OF LOAD BALANCING ============== 2625.39 LDB: ============== END OF LOAD BALANCING =============== 2625.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2625.39 LDB: ============= START OF LOAD BALANCING ============== 2625.69 LDB: Largest compute 4848 load 0.030631 is 26.0% of average load 0.117759 LDB: Average compute 0.001744 is 1.5% of average load 0.117759 LDB: TIME 2625.69 LOAD: AVG 0.117759 MAX 0.198326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.059 MB LDB: TIME 2625.69 LOAD: AVG 0.117759 MAX 0.198326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.121 MB LDB: TIME 2625.69 LOAD: AVG 0.117759 MAX 0.198326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2625.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2625.7 PRESSURE: 884400 -119.077 -66.0118 -36.7986 -66.0134 -168.731 -64.9907 -36.7986 -64.9925 328.982 GPRESSURE: 884400 -102.023 -47.5149 -57.2709 -59.3268 -169.148 -89.6597 -42.4879 -69.0944 407.05 PRESSAVG: 884400 30.1902 -22.3364 -16.3076 -22.3364 -29.0441 -28.5297 -16.3076 -28.5296 13.3586 GPRESSAVG: 884400 31.6332 -21.5404 -14.0363 -24.1143 -30.9619 -30.2003 -18.4401 -26.7449 13.8952 TIMING: 884400 CPU: 2622.57, 0.0030227/step Wall: 2622.57, 0.0030227/step, 3.45562 hours remaining, 206.449219 MB of memory in use. ENERGY: 884400 754.5631 2094.9142 1944.1774 113.6826 -206495.4978 17813.9936 0.0000 0.0000 34098.1651 -149676.0019 297.7878 -183774.1670 -149578.1748 297.5381 13.7249 45.2929 554646.3573 4.8349 4.8555 PRESSURE: 884600 -165.136 53.0843 81.1998 53.0844 -26.7786 -56.4967 81.2009 -56.4952 2.29492 GPRESSURE: 884600 -81.8435 -14.0671 113.3 54.6758 -49.6785 -79.314 19.7776 -53.0562 34.9946 PRESSAVG: 884600 -47.4683 26.2584 54.3542 26.2584 -15.4637 -13.3634 54.3543 -13.3634 118.826 GPRESSAVG: 884600 -48.4466 25.9307 54.1117 26.1657 -13.1032 -12.8712 53.6735 -11.9659 117.64 TIMING: 884600 CPU: 2623.16, 0.00299107/step Wall: 2623.16, 0.00299107/step, 3.41929 hours remaining, 206.449219 MB of memory in use. ENERGY: 884600 746.0726 2067.1909 1887.6482 110.0989 -206148.4135 17666.7175 0.0000 0.0000 34034.6535 -149636.0320 297.2331 -183670.6855 -149540.8878 297.4880 -63.2066 -32.1758 556171.4432 18.6314 18.6967 PRESSURE: 884800 -175.297 -47.832 -57.6145 -47.8332 -116.297 9.34448 -57.6162 9.34478 19.1209 GPRESSURE: 884800 -138.908 -100.084 -63.3928 -42.1366 -113.335 17.5042 -75.3057 72.0138 65.3508 PRESSAVG: 884800 20.3774 12.2373 15.0304 12.2373 -39.5362 31.1157 15.0303 31.1156 34.3101 GPRESSAVG: 884800 19.701 12.9323 14.6926 13.6765 -40.4673 34.0763 16.4523 28.2451 34.9955 TIMING: 884800 CPU: 2623.76, 0.00297687/step Wall: 2623.76, 0.00297687/step, 3.40289 hours remaining, 206.449219 MB of memory in use. ENERGY: 884800 734.8173 2127.8851 1931.3381 118.9146 -206551.5908 17934.6513 0.0000 0.0000 33960.7872 -149743.1972 296.5880 -183703.9844 -149648.2345 297.9589 -90.8245 -62.2975 558120.1576 5.0504 4.7431 PRESSURE: 885000 27.6162 115.959 -79.3511 115.957 39.5475 -106.384 -79.3518 -106.384 16.8201 GPRESSURE: 885000 43.9629 122.581 -202.327 69.1859 57.8357 -132.929 13.1936 -119.972 74.5303 PRESSAVG: 885000 6.86727 4.81645 6.97679 4.81642 85.8084 0.607642 6.97683 0.607659 -92.3774 GPRESSAVG: 885000 7.39571 3.3733 6.82331 5.3624 85.228 -1.54614 7.65524 0.882927 -92.3889 TIMING: 885000 CPU: 2624.36, 0.00299251/step Wall: 2624.36, 0.00299251/step, 3.4206 hours remaining, 206.449219 MB of memory in use. ENERGY: 885000 695.9333 2092.2492 1929.7396 120.5644 -206539.8043 17756.3098 0.0000 0.0000 34204.1978 -149740.8102 298.7138 -183945.0080 -149645.6019 297.7922 27.9946 58.7763 556627.4680 0.0994 0.0783 PRESSURE: 885200 -201.957 70.5624 -54.9041 70.56 -36.5499 -158.158 -54.9034 -158.16 -68.1634 GPRESSURE: 885200 -136.34 76.2279 -113.3 78.7976 -26.6884 -129.58 10.9459 -52.4142 -42.763 PRESSAVG: 885200 44.7642 66.6858 -42.843 66.6857 -18.6373 20.5417 -42.843 20.5417 6.62599 GPRESSAVG: 885200 44.8374 67.602 -41.3915 66.5448 -17.3601 23.5681 -44.4421 19.5405 5.01186 TIMING: 885200 CPU: 2624.96, 0.00298723/step Wall: 2624.96, 0.00298723/step, 3.4144 hours remaining, 206.449219 MB of memory in use. ENERGY: 885200 768.7509 2057.2957 1924.9482 109.7194 -206222.0007 17682.8391 0.0000 0.0000 34075.5089 -149602.9384 297.5899 -183678.4473 -149507.2907 297.8301 -102.2234 -68.5971 556727.6696 10.9176 10.8297 PRESSURE: 885400 86.122 -116.724 115.747 -116.723 132.102 -42.9062 115.747 -42.9058 350.051 GPRESSURE: 885400 131.24 -150.98 149.812 -145.801 169.827 -82.1682 51.2906 -31.4303 363.855 PRESSAVG: 885400 7.58919 -27.1855 -12.4439 -27.1854 -19.7199 -72.6982 -12.4439 -72.6982 12.3489 GPRESSAVG: 885400 7.29256 -28.0386 -12.6666 -27.848 -20.3019 -73.7274 -12.3539 -70.8595 12.8784 TIMING: 885400 CPU: 2625.55, 0.00298191/step Wall: 2625.55, 0.00298191/step, 3.40816 hours remaining, 206.449219 MB of memory in use. ENERGY: 885400 760.2495 2059.1217 1917.4453 115.8244 -207117.0747 18327.4639 0.0000 0.0000 34231.3351 -149705.6348 298.9508 -183936.9699 -149609.3408 298.2199 189.4253 221.6410 555813.0524 0.0727 -0.0436 PRESSURE: 885600 51.9208 71.2835 -200.84 71.2841 -27.1408 124.459 -200.839 124.459 -32.9665 GPRESSURE: 885600 76.5513 31.7204 -136.853 139.458 34.0299 183.405 -242.207 6.94706 -29.1538 PRESSAVG: 885600 11.7147 37.4361 -12.9063 37.4361 5.45732 43.015 -12.9063 43.0148 4.54372 GPRESSAVG: 885600 12.3674 39.3731 -13.6049 37.1857 3.84474 41.6549 -15.2301 42.813 5.32269 TIMING: 885600 CPU: 2626.15, 0.00300822/step Wall: 2626.15, 0.00300822/step, 3.43806 hours remaining, 206.449219 MB of memory in use. ENERGY: 885600 744.2704 2051.0786 1940.9699 116.1148 -206742.4500 17883.7967 0.0000 0.0000 34363.0917 -149643.1278 300.1014 -184006.2195 -149551.9653 298.4074 -2.7288 27.1425 556013.3017 7.2386 7.1783 PRESSURE: 885800 -283.322 -36.9852 18.7944 -36.9857 -348.196 -86.6854 18.795 -86.6861 -167.369 GPRESSURE: 885800 -207.093 60.3324 -85.4158 -44.1422 -279.775 -90.5428 -32.6905 -91.5639 -216.341 PRESSAVG: 885800 -0.497367 13.2154 -13.9934 13.2154 -6.99788 -23.7617 -13.9933 -23.7617 -26.7714 GPRESSAVG: 885800 -1.02297 11.1466 -13.7606 14.3504 -6.11762 -21.935 -11.4601 -24.2144 -26.8733 TIMING: 885800 CPU: 2626.75, 0.00297756/step Wall: 2626.75, 0.00297756/step, 3.40285 hours remaining, 206.449219 MB of memory in use. ENERGY: 885800 744.0643 2087.9154 1913.6995 109.6941 -205844.5952 17392.6789 0.0000 0.0000 34086.5907 -149509.9523 297.6867 -183596.5430 -149413.1441 298.4468 -266.2955 -234.4033 557298.5016 -11.4222 -11.3380 PRESSURE: 886000 -5.56553 -50.5952 149.528 -50.5961 -227.521 -41.8747 149.526 -41.8734 -36.1695 GPRESSURE: 886000 26.5187 5.08864 124.334 -72.0951 -215.198 -79.1911 165.758 52.2553 26.4924 PRESSAVG: 886000 -25.2912 -6.35361 -0.519327 -6.35367 -13.3626 -1.54625 -0.519377 -1.54616 42.7609 GPRESSAVG: 886000 -24.0694 -4.81359 -2.00437 -7.04049 -13.5166 -4.4274 -0.661444 -1.88082 42.2013 TIMING: 886000 CPU: 2627.34, 0.00297214/step Wall: 2627.34, 0.00297214/step, 3.39649 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: 886000 757.9430 2085.9728 1918.2227 119.7633 -206580.5354 17909.1279 0.0000 0.0000 34223.2243 -149566.2815 298.8799 -183789.5058 -149475.3220 298.3148 -89.7520 -54.0623 557557.5348 1.3690 1.5384 PRESSURE: 886200 55.5874 87.4817 79.6406 87.4804 -110.484 -45.593 79.6401 -45.5921 70.6114 GPRESSURE: 886200 106.517 120.427 12.2885 126.408 -80.5369 24.2285 73.5862 -28.8941 73.4034 PRESSAVG: 886200 0.812814 65.1351 39.6803 65.1351 44.3549 -3.00619 39.6803 -3.00612 1.9516 GPRESSAVG: 886200 -0.280989 64.8006 38.6576 66.1366 44.5127 -0.953457 40.2245 -1.99595 2.3738 TIMING: 886200 CPU: 2627.94, 0.0029641/step Wall: 2627.94, 0.0029641/step, 3.38715 hours remaining, 206.449219 MB of memory in use. ENERGY: 886200 755.0913 2033.0806 1921.4715 116.5858 -206266.6888 17836.3121 0.0000 0.0000 34182.7429 -149421.4047 298.5264 -183604.1476 -149328.7839 298.6271 5.2382 33.1279 557534.1579 15.7064 15.5352 PRESSURE: 886400 24.0446 -91.4258 -82.309 -91.4261 42.5962 1.17607 -82.31 1.17643 -16.9766 GPRESSURE: 886400 75.0929 -176.291 -118.018 -103.66 46.7395 56.2465 -108.422 -39.5295 14.3108 PRESSAVG: 886400 38.4842 14.2764 -69.7374 14.2763 -13.6686 38.5308 -69.7375 38.5309 11.5414 GPRESSAVG: 886400 39.1415 14.9602 -66.5839 11.0292 -14.6761 38.3094 -72.488 38.3724 12.3974 TIMING: 886400 CPU: 2628.53, 0.0029636/step Wall: 2628.53, 0.0029636/step, 3.3864 hours remaining, 206.449219 MB of memory in use. ENERGY: 886400 707.9429 2064.1734 1916.1319 114.1087 -206130.1210 17752.1150 0.0000 0.0000 34226.5233 -149349.1260 298.9087 -183575.6493 -149252.0225 298.8312 16.5547 45.3811 557751.0339 12.1190 12.2876 PRESSURE: 886600 122.465 76.1703 -35.2015 76.1695 -116.385 9.77684 -35.2021 9.77661 -171.603 GPRESSURE: 886600 174.668 68.4934 -67.4084 106.088 -109.343 39.8876 23.0908 -33.1954 -133.687 PRESSAVG: 886600 75.3129 60.1679 -82.3807 60.168 -32.2041 5.49148 -82.3807 5.49124 -26.3742 GPRESSAVG: 886600 74.8045 57.6317 -82.9453 62.8238 -30.7435 5.98657 -79.3916 5.07202 -27.3053 TIMING: 886600 CPU: 2629.12, 0.00297069/step Wall: 2629.12, 0.00297069/step, 3.39435 hours remaining, 206.449219 MB of memory in use. ENERGY: 886600 717.3409 2077.4680 1899.8277 112.7808 -206089.9519 17770.2720 0.0000 0.0000 34050.6314 -149461.6309 297.3726 -183512.2623 -149369.0825 298.5604 -55.1746 -22.7875 557882.2382 5.5782 5.5852 PRESSURE: 886800 58.7781 -121.053 -68.8041 -121.053 36.4999 -47.2017 -68.8035 -47.201 -241.335 GPRESSURE: 886800 25.1778 -112.772 -146.07 -223.422 96.2916 -81.869 10.6977 -80.333 -163.555 PRESSAVG: 886800 -38.3954 -17.8351 -39.8339 -17.835 34.8489 -21.98 -39.8338 -21.9801 -16.074 GPRESSAVG: 886800 -38.3291 -15.504 -39.7106 -18.9236 35.1031 -20.526 -42.8177 -24.0755 -16.4868 TIMING: 886800 CPU: 2629.72, 0.00296317/step Wall: 2629.72, 0.00296317/step, 3.38559 hours remaining, 206.449219 MB of memory in use. ENERGY: 886800 745.9096 2086.2323 1938.1920 99.0017 -205855.8663 17643.0385 0.0000 0.0000 34077.0973 -149266.3949 297.6038 -183343.4922 -149173.8018 298.7923 -48.6856 -14.0287 556788.1219 -6.5402 -6.5709 PRESSURE: 887000 -141.58 -68.5352 89.6946 -68.5354 -181.965 -55.0565 89.6954 -55.0555 -244.643 GPRESSURE: 887000 -137.443 -19.5083 97.6178 -130.626 -153.037 -65.9933 41.5921 24.5902 -187.337 PRESSAVG: 887000 49.1237 -3.12568 -25.015 -3.12558 27.0816 -54.9844 -25.015 -54.9844 -68.5661 GPRESSAVG: 887000 47.7816 -2.53625 -26.3941 -4.02324 27.844 -57.3938 -23.4125 -53.324 -67.3824 TIMING: 887000 CPU: 2630.31, 0.00296697/step Wall: 2630.31, 0.00296697/step, 3.38976 hours remaining, 206.449219 MB of memory in use. ENERGY: 887000 750.4798 2116.3061 1938.6308 111.4759 -205950.4281 17599.0956 0.0000 0.0000 34211.4721 -149222.9679 298.7773 -183434.4400 -149123.4931 298.9253 -189.3960 -159.2721 557292.3175 2.5464 2.7477 PRESSURE: 887200 -33.3949 -24.2987 42.3637 -24.2983 26.1748 -64.4743 42.3623 -64.4739 18.3 GPRESSURE: 887200 48.8697 42.296 11.4197 -36.1619 70.7318 6.48375 -59.3079 -126.43 -5.29321 PRESSAVG: 887200 16.3325 18.9412 3.41021 18.9412 67.4168 -54.563 3.41014 -54.563 -60.1553 GPRESSAVG: 887200 16.0515 15.277 6.32663 19.3513 68.9367 -55.0798 3.09482 -53.9621 -61.6587 TIMING: 887200 CPU: 2630.9, 0.00297601/step Wall: 2630.9, 0.00297601/step, 3.39992 hours remaining, 206.449219 MB of memory in use. ENERGY: 887200 745.3595 2022.3640 1905.1075 112.5461 -206356.4915 17975.7821 0.0000 0.0000 34255.5246 -149339.8077 299.1620 -183595.3323 -149242.2945 299.3019 3.6933 38.1027 557821.1921 7.8647 7.7765 PRESSURE: 887400 -158.658 -161.098 -8.35214 -161.099 -207.206 -11.3078 -8.3518 -11.3085 -101.533 GPRESSURE: 887400 -108.998 -139.121 32.6386 -82.2774 -211.403 -49.5859 -88.9552 31.0452 -60.6762 PRESSAVG: 887400 30.8438 15.2908 13.2124 15.2907 -56.7707 -47.8763 13.2124 -47.8763 31.8966 GPRESSAVG: 887400 31.3373 16.9573 11.5521 14.4113 -57.8472 -46.0668 14.5683 -50.5063 32.3543 TIMING: 887400 CPU: 2631.5, 0.00297509/step Wall: 2631.5, 0.00297509/step, 3.39871 hours remaining, 206.449219 MB of memory in use. ENERGY: 887400 722.2704 2041.1988 1965.4341 120.0260 -206078.0709 17601.7386 0.0000 0.0000 34445.1667 -149182.2363 300.8182 -183627.4030 -149080.1528 299.4200 -155.7993 -127.0257 556395.6564 1.9899 1.9481 PRESSURE: 887600 48.503 -64.7809 9.35583 -64.7817 -243.545 -163.614 9.35651 -163.614 -7.93448 GPRESSURE: 887600 52.5804 -8.80995 7.76151 -145.408 -169.686 -145.347 88.5274 -129.632 10.1299 PRESSAVG: 887600 -46.4406 -53.2381 21.9344 -53.2381 15.7827 16.6385 21.9343 16.6385 57.7502 GPRESSAVG: 887600 -46.7603 -52.8767 23.5913 -53.1281 15.5754 15.7505 20.2557 19.0997 57.4495 TIMING: 887600 CPU: 2632.09, 0.00295727/step Wall: 2632.09, 0.00295727/step, 3.37818 hours remaining, 206.449219 MB of memory in use. ENERGY: 887600 715.1005 2081.2651 1944.4048 101.5819 -205315.3499 17429.1904 0.0000 0.0000 33899.4629 -149144.3443 296.0524 -183043.8072 -149040.8981 299.3711 -67.6587 -35.6586 557844.0624 9.0308 8.7549 PRESSURE: 887800 -18.5678 18.4699 -9.5794 18.4706 236.351 58.9665 -9.58048 58.9674 66.9618 GPRESSURE: 887800 39.867 -35.915 13.8444 71.0925 268.256 27.0846 -13.9515 90.168 77.3485 PRESSAVG: 887800 21.4251 -14.8905 24.1283 -14.8905 -66.8515 68.5458 24.1283 68.5458 42.5684 GPRESSAVG: 887800 21.3302 -13.5007 22.9483 -15.4573 -66.1582 66.6939 25.9099 68.5339 41.943 TIMING: 887800 CPU: 2632.69, 0.00298087/step Wall: 2632.69, 0.00298087/step, 3.40498 hours remaining, 206.449219 MB of memory in use. ENERGY: 887800 743.1859 2099.5960 1938.8756 105.8646 -206438.0231 18017.6884 0.0000 0.0000 34428.4989 -149104.3137 300.6726 -183532.8126 -149006.6088 299.6252 94.9151 128.4904 557408.9004 -0.9527 -0.9617 PRESSURE: 888000 371.387 -5.72018 -21.7723 -5.71912 -216.054 -32.411 -21.7734 -32.4103 -129.279 GPRESSURE: 888000 402.496 -39.7353 43.3344 -66.2594 -237.581 -9.71449 -30.0369 -91.5585 -29.7902 PRESSAVG: 888000 56.4256 33.2313 28.5339 33.2313 -48.6071 67.8133 28.5338 67.8132 25.134 GPRESSAVG: 888000 56.1456 31.8759 27.8295 33.4428 -49.3047 70.1846 26.8958 65.1395 26.2657 TIMING: 888000 CPU: 2633.28, 0.00296665/step Wall: 2633.28, 0.00296665/step, 3.38858 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: 888000 732.9197 2045.7164 1944.2573 99.1322 -206128.8823 17867.4956 0.0000 0.0000 34264.6856 -149174.6755 299.2420 -183439.3612 -149078.7508 299.6157 8.6847 45.0417 557317.4593 10.9841 11.0355 PRESSURE: 888200 -12.3154 100.328 -38.2405 100.328 -347.621 -61.9058 -38.2408 -61.905 15.9014 GPRESSURE: 888200 64.8766 162.041 -94.8678 64.1889 -338.405 -155.333 34.4108 -13.9034 14.9743 PRESSAVG: 888200 57.3631 27.3036 9.7425 27.3035 -76.3438 -9.6269 9.74259 -9.62691 14.0168 GPRESSAVG: 888200 58.7433 28.0287 10.2458 27.0133 -77.4757 -9.31455 10.5341 -8.45253 13.3873 TIMING: 888200 CPU: 2633.87, 0.00296302/step Wall: 2633.87, 0.00296302/step, 3.38426 hours remaining, 206.449219 MB of memory in use. ENERGY: 888200 735.1136 2104.5938 1961.8672 115.1386 -205968.7811 17704.1679 0.0000 0.0000 34245.7047 -149102.1952 299.0763 -183347.9000 -149012.0198 298.6270 -114.6783 -86.1848 559558.5452 -1.6546 -1.7817 LDB: ============= START OF LOAD BALANCING ============== 2637.3 LDB: ============== END OF LOAD BALANCING =============== 2637.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2637.3 LDB: ============= START OF LOAD BALANCING ============== 2637.6 LDB: Largest compute 4820 load 0.028824 is 24.5% of average load 0.117794 LDB: Average compute 0.001738 is 1.5% of average load 0.117794 LDB: TIME 2637.6 LOAD: AVG 0.117794 MAX 0.19621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 2637.6 LOAD: AVG 0.117794 MAX 0.19621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: TIME 2637.6 LOAD: AVG 0.117794 MAX 0.19621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2637.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2637.61 PRESSURE: 888400 -119.122 9.87029 -123.019 9.87052 39.7149 -143.336 -123.019 -143.337 68.7698 GPRESSURE: 888400 -93.2961 36.2949 -181.542 -56.1098 92.6981 -138.265 -185.403 -164.272 90.7793 PRESSAVG: 888400 8.95907 -34.1562 -12.7973 -34.1562 -51.1155 4.34582 -12.7973 4.34595 37.3008 GPRESSAVG: 888400 7.98376 -34.194 -11.2908 -34.5335 -50.8634 3.64637 -13.0624 3.8356 38.5129 TIMING: 888400 CPU: 2634.48, 0.00303086/step Wall: 2634.48, 0.00303086/step, 3.46158 hours remaining, 204.914062 MB of memory in use. ENERGY: 888400 711.1787 2108.3687 1930.6028 118.4890 -206031.5694 17754.0970 0.0000 0.0000 34267.4992 -149141.3341 299.2666 -183408.8333 -149047.1433 299.4514 -3.5457 30.0605 557789.5465 -1.6186 -1.4556 PRESSURE: 888600 -169.231 -181.308 -0.408677 -181.308 -274.918 -246.467 -0.408784 -246.467 168.322 GPRESSURE: 888600 -115.931 -94.9431 99.1137 -190.045 -289.133 -271.445 -109.912 -244.588 228.473 PRESSAVG: 888600 9.1299 -76.1893 -43.3067 -76.1893 -5.15773 -35.0372 -43.3067 -35.0371 32.5383 GPRESSAVG: 888600 10.2502 -75.0306 -46.1774 -75.8408 -6.85738 -33.6796 -43.4729 -34.8188 32.7693 TIMING: 888600 CPU: 2635.07, 0.00296479/step Wall: 2635.07, 0.00296479/step, 3.38596 hours remaining, 204.914062 MB of memory in use. ENERGY: 888600 721.0074 2050.9169 1923.4160 111.9334 -205557.7837 17618.0513 0.0000 0.0000 34294.2655 -148838.1931 299.5003 -183132.4586 -148740.5213 299.7421 -91.9422 -58.8633 558347.0534 12.1702 12.0540 PRESSURE: 888800 47.6512 -50.7239 -5.5152 -50.7242 68.1299 -86.6439 -5.51468 -86.642 -137.726 GPRESSURE: 888800 119.678 -42.1177 16.5405 -11.028 61.7343 -37.8073 -92.0202 -112.42 -121.995 PRESSAVG: 888800 27.0805 28.7185 9.85843 28.7185 -86.1674 -44.4499 9.85842 -44.4499 55.9522 GPRESSAVG: 888800 26.5154 24.582 9.24966 31.0561 -85.8 -45.4481 12.3776 -44.3623 56.0751 TIMING: 888800 CPU: 2635.67, 0.00298305/step Wall: 2635.67, 0.00298305/step, 3.40664 hours remaining, 204.914062 MB of memory in use. ENERGY: 888800 724.8051 2111.0721 1976.0215 119.7533 -205918.3531 17619.4038 0.0000 0.0000 34394.4128 -148972.8845 300.3750 -183367.2973 -148875.9087 299.5952 -7.3151 19.8058 556594.5216 -1.0449 -1.0698 PRESSURE: 889000 118.506 26.6549 -18.0988 26.6555 221.441 -40.8825 -18.0989 -40.8827 -84.8293 GPRESSURE: 889000 190.395 8.84846 -56.6107 87.0891 225.782 -10.1625 26.4683 -4.78015 -62.0713 PRESSAVG: 889000 -14.9928 -74.818 -1.63823 -74.818 -12.7901 -18.665 -1.63825 -18.665 10.7992 GPRESSAVG: 889000 -14.7746 -71.3125 -1.53609 -78.4462 -11.5572 -18.36 -4.69849 -17.3295 9.61609 TIMING: 889000 CPU: 2636.26, 0.00297524/step Wall: 2636.26, 0.00297524/step, 3.39756 hours remaining, 204.914062 MB of memory in use. ENERGY: 889000 712.3689 2079.7298 1942.9889 114.2862 -206012.8487 17875.5114 0.0000 0.0000 34354.4883 -148933.4752 300.0263 -183287.9635 -148833.6247 301.0231 85.0395 118.0354 556123.6485 -5.6612 -5.5719 PRESSURE: 889200 81.4958 -28.6236 0.337231 -28.6238 -103.134 -221.304 0.337433 -221.303 -94.354 GPRESSURE: 889200 86.4493 -33.6586 -1.63204 -5.27652 -76.8674 -181.062 50.6772 -215.178 -38.9812 PRESSAVG: 889200 -30.4684 -16.3733 -38.6289 -16.3734 -9.41992 -16.5021 -38.6289 -16.5022 -0.634384 GPRESSAVG: 889200 -30.7935 -18.227 -38.7815 -13.7525 -10.0815 -17.2719 -37.966 -17.4265 0.85238 TIMING: 889200 CPU: 2636.86, 0.00300296/step Wall: 2636.86, 0.00300296/step, 3.42905 hours remaining, 204.914062 MB of memory in use. ENERGY: 889200 784.6431 2072.2499 1962.2293 118.9001 -205862.9507 17668.8058 0.0000 0.0000 34277.0816 -148979.0408 299.3503 -183256.1225 -148883.5446 299.4277 -38.6642 -9.7998 556880.8345 -13.5076 -13.3409 PRESSURE: 889400 -2.00813 48.9326 -144.815 48.9327 35.4061 -235.826 -144.817 -235.827 384.796 GPRESSURE: 889400 50.5929 103.628 -165.508 17.8211 62.1287 -323.163 -165.205 -189.067 413.822 PRESSAVG: 889400 -19.4673 -2.76291 0.367199 -2.76288 18.0401 -3.28297 0.367191 -3.28311 41.9996 GPRESSAVG: 889400 -18.4565 -2.96313 1.08038 -2.28322 18.1792 -3.73514 -0.355765 -1.43528 41.3913 TIMING: 889400 CPU: 2637.46, 0.00298115/step Wall: 2637.46, 0.00298115/step, 3.40398 hours remaining, 204.914062 MB of memory in use. ENERGY: 889400 731.4984 2118.7276 1959.5821 117.9850 -206578.7312 18031.4473 0.0000 0.0000 34494.2267 -149125.2641 301.2467 -183619.4908 -149021.4067 299.2245 139.3980 175.5144 556302.1327 13.5241 13.7047 PRESSURE: 889600 -19.0089 -53.0365 22.8239 -53.0346 -7.13876 -31.0768 22.8243 -31.0756 -330.377 GPRESSURE: 889600 -58.263 -92.2322 2.6625 -58.7027 80.1517 57.6019 130.096 -26.3068 -284.833 PRESSAVG: 889600 51.3845 13.5225 36.5373 13.5224 -9.75619 -33.8233 36.5373 -33.8235 -30.331 GPRESSAVG: 889600 50.3977 14.2845 36.4122 12.2174 -9.93227 -33.5779 38.56 -34.2917 -29.4607 TIMING: 889600 CPU: 2638.06, 0.00298789/step Wall: 2638.06, 0.00298789/step, 3.4115 hours remaining, 204.914062 MB of memory in use. ENERGY: 889600 743.1629 2136.6437 1963.5950 114.9667 -206093.4313 17686.7268 0.0000 0.0000 34345.8865 -149102.4498 299.9512 -183448.3362 -149005.7217 299.6605 -118.8414 -87.6482 558068.6739 3.7658 3.6682 PRESSURE: 889800 -144.337 -119.807 66.7783 -119.807 -168.255 47.2543 66.7785 47.2549 190.918 GPRESSURE: 889800 -87.4875 -113.655 59.3598 -54.6006 -194.898 -35.9269 65.8771 103.624 250.41 PRESSAVG: 889800 30.8494 -16.6062 47.4716 -16.6061 -31.4145 21.2728 47.4714 21.273 58.3742 GPRESSAVG: 889800 30.5107 -15.1579 45.9622 -15.1863 -29.999 22.1733 46.8413 20.2238 57.3861 TIMING: 889800 CPU: 2638.66, 0.00300113/step Wall: 2638.66, 0.00300113/step, 3.42646 hours remaining, 204.914062 MB of memory in use. ENERGY: 889800 723.5347 2083.6543 1967.0384 113.4860 -206110.4941 17729.7507 0.0000 0.0000 34256.7109 -149236.3192 299.1724 -183493.0301 -149144.1416 300.0339 -40.5581 -10.6587 557203.7598 19.2697 19.2993 PRESSURE: 890000 -165.536 -56.0551 38.5314 -56.0551 -242.154 252.289 38.5342 252.29 141.067 GPRESSURE: 890000 -119.872 -69.2774 105.435 -14.8718 -258.832 252.543 -5.86241 264.781 210.977 PRESSAVG: 890000 1.26739 24.4178 41.7086 24.4178 -62.5275 10.8432 41.7085 10.8432 50.2395 GPRESSAVG: 890000 1.96825 22.7814 44.2207 22.3611 -62.5292 11.6481 40.4014 9.11556 49.8104 TIMING: 890000 CPU: 2639.26, 0.0030217/step Wall: 2639.26, 0.0030217/step, 3.44978 hours remaining, 204.914062 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: 890000 755.3818 2078.7873 1965.3838 125.2706 -206246.4758 17615.5091 0.0000 0.0000 34436.0790 -149270.0642 300.7388 -183706.1432 -149171.7795 299.1149 -88.8747 -55.9092 556642.2684 -3.6735 -3.5835 PRESSURE: 890200 -79.9181 99.6571 29.4296 99.6574 -186.45 -155.004 29.4313 -155.004 48.9365 GPRESSURE: 890200 -65.4657 66.7176 80.1377 101.25 -138.644 -120.128 39.8988 -215.151 91.1287 PRESSAVG: 890200 79.2862 40.1605 42.4329 40.1605 -64.0996 41.8665 42.433 41.8665 -18.8455 GPRESSAVG: 890200 78.6873 41.831 42.1883 42.5903 -63.7685 39.6645 43.3132 42.5581 -18.707 TIMING: 890200 CPU: 2639.86, 0.00299996/step Wall: 2639.86, 0.00299996/step, 3.42479 hours remaining, 204.914062 MB of memory in use. ENERGY: 890200 782.5618 2074.2555 1950.8924 114.2927 -206205.9997 17780.7200 0.0000 0.0000 34364.3427 -149138.9346 300.1124 -183503.2773 -149053.1516 299.6685 -72.4771 -37.6604 556241.3582 -1.2196 -1.2627 PRESSURE: 890400 -239.003 118.697 -77.7234 118.698 -378.579 110.483 -77.7252 110.484 -4.1763 GPRESSURE: 890400 -243.348 172.751 -100.347 24.411 -290.553 39.6557 -106.128 128.713 11.3556 PRESSAVG: 890400 15.8705 1.93064 34.2085 1.93065 3.44351 -21.6708 34.2083 -21.6707 -5.08455 GPRESSAVG: 890400 16.6064 -1.72267 33.6747 2.14346 3.09966 -21.903 34.2403 -19.6512 -5.32532 TIMING: 890400 CPU: 2640.46, 0.00299805/step Wall: 2640.46, 0.00299805/step, 3.42244 hours remaining, 204.914062 MB of memory in use. ENERGY: 890400 757.6274 2074.9274 1933.0682 118.0143 -205925.3651 17561.3593 0.0000 0.0000 34338.8445 -149141.5241 299.8897 -183480.3685 -149047.7102 299.6632 -207.2528 -174.1817 558693.1842 4.7432 4.7936 PRESSURE: 890600 -5.99126 52.9514 165.88 52.9516 26.386 -42.8293 165.88 -42.829 -184.533 GPRESSURE: 890600 -5.28428 50.3616 136.196 89.8427 58.3723 45.2485 118.231 -3.59724 -117.984 PRESSAVG: 890600 7.67776 -7.56354 -3.83272 -7.56345 -34.7851 21.0878 -3.83274 21.0878 27.0927 GPRESSAVG: 890600 7.34208 -4.97672 -4.62156 -9.26471 -35.0055 22.3015 -3.2044 19.361 27.4998 TIMING: 890600 CPU: 2641.06, 0.00296866/step Wall: 2641.06, 0.00296866/step, 3.38872 hours remaining, 204.914062 MB of memory in use. ENERGY: 890600 737.2161 2138.1768 1921.6199 122.7567 -205864.9447 17752.6480 0.0000 0.0000 34137.2316 -149055.2956 298.1289 -183192.5272 -148958.1973 300.1307 -54.7127 -21.6318 559208.8209 -0.0049 -0.0545 PRESSURE: 890800 -151.458 -27.1416 -73.7347 -27.1421 7.26134 -165.891 -73.7344 -165.89 -151.644 GPRESSURE: 890800 -113.7 -9.60504 -91.9092 -0.387311 23.6939 -210.691 -99.4734 -160.541 -115.289 PRESSAVG: 890800 -49.4748 -31.3172 26.1869 -31.3172 77.3221 29.8069 26.1869 29.8069 -2.35527 GPRESSAVG: 890800 -50.5949 -32.7666 27.241 -29.779 76.7117 29.865 26.5298 29.9877 -1.21445 TIMING: 890800 CPU: 2641.65, 0.00297079/step Wall: 2641.65, 0.00297079/step, 3.39099 hours remaining, 204.914062 MB of memory in use. ENERGY: 890800 748.8671 2110.6341 1958.9710 115.7195 -205590.5719 17440.8679 0.0000 0.0000 34171.0508 -149044.4614 298.4243 -183215.5122 -148951.1846 300.0123 -98.6134 -68.4318 557415.7610 8.4974 8.3008 PRESSURE: 891000 32.1242 -63.7455 -18.7568 -63.7451 -71.5223 229.727 -18.7569 229.724 101.084 GPRESSURE: 891000 47.2179 -122.963 -30.15 -39.7835 -12.3938 238.63 16.9929 164.022 139.769 PRESSAVG: 891000 -56.0287 -0.426123 -33.4938 -0.426139 -14.7443 -36.5928 -33.4937 -36.5928 47.4427 GPRESSAVG: 891000 -56.0077 1.24765 -33.5678 -1.67413 -14.9202 -36.4418 -35.05 -35.2787 47.4557 TIMING: 891000 CPU: 2642.25, 0.00297401/step Wall: 2642.25, 0.00297401/step, 3.3945 hours remaining, 204.914062 MB of memory in use. ENERGY: 891000 753.3309 2073.6992 1942.8387 104.2630 -206194.3369 17879.7361 0.0000 0.0000 34272.8128 -149167.6562 299.3130 -183440.4689 -149076.3775 299.6776 20.5620 58.1978 557429.3785 -7.7768 -7.8241 PRESSURE: 891200 73.4798 79.4942 -1.46073 79.4933 -262.204 122.638 -1.46155 122.638 171.473 GPRESSURE: 891200 113.884 129.188 -88.8072 -3.67624 -224.809 12.0972 -51.4866 141.738 172.471 PRESSAVG: 891200 -10.8722 66.4276 38.0472 66.4276 3.18628 43.153 38.0472 43.153 11.0988 GPRESSAVG: 891200 -11.655 66.3035 39.5276 65.4939 5.12776 42.3226 36.5539 41.7394 10.0376 TIMING: 891200 CPU: 2642.85, 0.00300049/step Wall: 2642.85, 0.00300049/step, 3.42455 hours remaining, 204.914062 MB of memory in use. ENERGY: 891200 712.6717 2117.9870 1934.3578 106.4048 -205821.0555 17736.3880 0.0000 0.0000 33892.6169 -149320.6294 295.9927 -183213.2462 -149220.6324 299.7736 -5.7503 20.5151 557769.9499 1.1376 1.1701 PRESSURE: 891400 -163.069 -81.762 -33.7925 -81.7623 -10.5563 105.334 -33.7919 105.335 -93.9063 GPRESSURE: 891400 -162.974 -172.764 13.2673 38.39 -30.8188 93.6441 -88.3961 146.813 14.5075 PRESSAVG: 891400 -43.5045 61.3706 -5.32411 61.3706 12.9391 2.73926 -5.32413 2.73917 26.3343 GPRESSAVG: 891400 -42.5977 60.0594 -8.82625 63.5235 11.7531 2.51357 -2.38136 4.69453 26.8736 TIMING: 891400 CPU: 2643.44, 0.00298567/step Wall: 2643.44, 0.00298567/step, 3.40747 hours remaining, 204.914062 MB of memory in use. ENERGY: 891400 760.0945 2125.8408 1936.6702 114.5789 -205620.3102 17356.2121 0.0000 0.0000 34051.7327 -149275.1810 297.3823 -183326.9137 -149180.3072 299.2543 -89.1772 -59.7618 556262.2821 -1.4104 -1.3236 PRESSURE: 891600 2.14948 7.27939 25.5772 7.2789 -4.68233 -159.963 25.5774 -159.962 117.894 GPRESSURE: 891600 82.5626 -54.7205 2.34591 36.8645 16.4548 -56.212 17.1499 -159.64 129.39 PRESSAVG: 891600 -13.842 5.97232 -72.5627 5.97234 -81.3858 5.63317 -72.5627 5.63312 107.097 GPRESSAVG: 891600 -12.8191 7.39149 -70.6153 4.6622 -81.1637 6.06356 -73.3838 5.34215 105.689 TIMING: 891600 CPU: 2644.04, 0.00298293/step Wall: 2644.04, 0.00298293/step, 3.40418 hours remaining, 204.914062 MB of memory in use. ENERGY: 891600 706.1238 2081.4632 1960.8303 117.5754 -206144.8248 17756.6643 0.0000 0.0000 34204.4990 -149317.6688 298.7164 -183522.1678 -149221.9706 299.3853 38.4536 76.1356 555911.4771 3.9564 3.9022 PRESSURE: 891800 144.475 5.12938 -105.374 5.12887 -68.236 64.8176 -105.373 64.815 269.104 GPRESSURE: 891800 135.197 17.5046 -132.755 -95.2855 4.91797 72.4068 -62.5877 65.8472 299.046 PRESSAVG: 891800 -1.9855 26.1253 -58.4921 26.1252 -68.9072 -20.5608 -58.4921 -20.561 67.9522 GPRESSAVG: 891800 -4.63289 26.285 -59.3927 25.2325 -68.1592 -18.0386 -57.5522 -22.4696 69.6445 TIMING: 891800 CPU: 2644.64, 0.0029968/step Wall: 2644.64, 0.0029968/step, 3.41985 hours remaining, 204.914062 MB of memory in use. ENERGY: 891800 726.4375 2096.2191 1958.3398 93.9341 -206266.8159 17857.8723 0.0000 0.0000 34391.8783 -149142.1348 300.3528 -183534.0131 -149047.1188 299.8205 115.1145 146.3870 556484.7535 -0.9802 -1.0492 PRESSURE: 892000 47.1157 -29.0446 115.557 -29.0459 -39.5256 50.468 115.558 50.4684 110.325 GPRESSURE: 892000 37.1948 -11.8182 113.018 -105.006 16.595 9.83435 38.1699 68.2847 167.481 PRESSAVG: 892000 4.56557 -13.0179 -59.0584 -13.0179 -106.33 5.16617 -59.0585 5.16614 61.6389 GPRESSAVG: 892000 6.04545 -14.9086 -57.9449 -11.3618 -107.456 3.1203 -62.3261 8.45235 60.4054 TIMING: 892000 CPU: 2645.24, 0.00300381/step Wall: 2645.24, 0.00300381/step, 3.42768 hours remaining, 204.914062 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: 892000 749.8875 2086.7968 1940.9923 105.4357 -206146.4918 17848.7241 0.0000 0.0000 34409.8327 -149004.8227 300.5096 -183414.6554 -148909.5493 299.2684 39.3049 73.7570 557812.9507 -13.3750 -13.6684 PRESSURE: 892200 18.905 97.1412 -83.1446 97.1417 -62.783 67.2394 -83.1446 67.2372 227.094 GPRESSURE: 892200 57.5109 110.317 -90.1155 36.2788 -63.6441 63.7518 -149.922 140.552 284.977 PRESSAVG: 892200 -13.9532 8.27581 -9.05096 8.27586 -35.3055 76.191 -9.05092 76.1912 50.8112 GPRESSAVG: 892200 -14.0996 9.93781 -10.6566 8.82628 -35.5201 77.1525 -7.11904 74.5694 51.2656 TIMING: 892200 CPU: 2645.84, 0.00300052/step Wall: 2645.84, 0.00300052/step, 3.42376 hours remaining, 204.914062 MB of memory in use. ENERGY: 892200 727.3283 2086.7027 1960.9731 124.8107 -206264.1029 17809.8435 0.0000 0.0000 34674.6700 -148879.7747 302.8225 -183554.4447 -148778.1634 300.2654 61.0718 92.9479 555443.1347 0.5175 0.5486 LDB: ============= START OF LOAD BALANCING ============== 2649.27 LDB: ============== END OF LOAD BALANCING =============== 2649.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2649.27 LDB: ============= START OF LOAD BALANCING ============== 2649.57 LDB: Largest compute 4820 load 0.029731 is 25.3% of average load 0.117731 LDB: Average compute 0.001745 is 1.5% of average load 0.117731 LDB: TIME 2649.57 LOAD: AVG 0.117731 MAX 0.194809 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.449 MB LDB: TIME 2649.57 LOAD: AVG 0.117731 MAX 0.194809 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: TIME 2649.57 LOAD: AVG 0.117731 MAX 0.194809 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2649.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2649.57 PRESSURE: 892400 142.298 -86.496 -33.3527 -86.4956 30.9026 -184.423 -33.3533 -184.424 -146.359 GPRESSURE: 892400 142.029 -63.8446 -16.2867 -107.535 18.3232 -204.924 38.4639 -183.937 -25.2392 PRESSAVG: 892400 62.8992 -30.8183 -69.7101 -30.8183 -84.5022 -22.0924 -69.7101 -22.0924 57.8298 GPRESSAVG: 892400 63.3968 -31.1239 -69.1475 -31.1973 -84.8788 -23.1888 -69.8009 -21.3392 57.7099 TIMING: 892400 CPU: 2646.44, 0.00302463/step Wall: 2646.44, 0.00302463/step, 3.4511 hours remaining, 206.777344 MB of memory in use. ENERGY: 892400 771.2917 2089.4459 1971.3003 112.7181 -205976.6366 17852.7518 0.0000 0.0000 34360.1229 -148819.0059 300.0755 -183179.1288 -148726.7218 300.9755 8.9474 45.0375 557548.0119 12.0756 12.0760 PRESSURE: 892600 56.2621 -124.5 -191.324 -124.5 76.6476 -63.0571 -191.324 -63.057 67.8694 GPRESSURE: 892600 100.563 -188.797 -164.151 -88.691 102.727 -59.6775 -171.626 -51.1204 102.255 PRESSAVG: 892600 -24.6401 -20.6703 -71.2113 -20.6702 3.50259 15.8327 -71.2114 15.8326 19.9636 GPRESSAVG: 892600 -24.5761 -18.4287 -71.2536 -22.4601 2.64926 14.5584 -70.9871 14.6478 20.4277 TIMING: 892600 CPU: 2647.04, 0.00298161/step Wall: 2647.04, 0.00298161/step, 3.40185 hours remaining, 206.777344 MB of memory in use. ENERGY: 892600 711.2562 2067.8830 1975.2936 106.7081 -205848.5013 17746.6612 0.0000 0.0000 34298.1543 -148942.5449 299.5343 -183240.6993 -148844.3636 300.2811 66.9264 101.8483 557603.6943 -0.3913 -0.4997 PRESSURE: 892800 37.0058 172.002 -124.418 172.002 -323.299 -48.3456 -124.418 -48.3451 71.8158 GPRESSURE: 892800 93.8061 151.365 -162.615 216.182 -258.813 -71.1045 -107.14 -59.1049 39.9653 PRESSAVG: 892800 17.9009 -14.2148 -19.8693 -14.2149 5.38515 21.227 -19.8693 21.2271 26.2877 GPRESSAVG: 892800 17.6864 -17.7535 -17.3068 -12.5682 6.73581 21.6031 -20.1455 24.1144 25.9346 TIMING: 892800 CPU: 2647.63, 0.00296219/step Wall: 2647.63, 0.00296219/step, 3.37953 hours remaining, 206.777344 MB of memory in use. ENERGY: 892800 775.8488 2069.3964 1959.3521 116.6689 -205997.0829 17729.1886 0.0000 0.0000 34392.5011 -148954.1270 300.3583 -183346.6281 -148857.6716 300.0666 -71.4925 -41.6804 558868.6834 16.5246 16.7856 PRESSURE: 893000 190.462 113.123 -159.252 113.123 -78.8932 -47.103 -159.251 -47.1038 229.71 GPRESSURE: 893000 242.286 154.52 -124.518 101.963 -18.4351 -79.812 -103.524 -100.315 223.501 PRESSAVG: 893000 58.4455 -13.1874 1.80217 -13.1875 -104.393 35.7269 1.80222 35.727 43.5296 GPRESSAVG: 893000 57.9362 -12.4307 0.295705 -14.0022 -104.619 37.0463 1.42611 32.4026 43.8431 TIMING: 893000 CPU: 2648.22, 0.0029373/step Wall: 2648.22, 0.0029373/step, 3.35097 hours remaining, 206.777344 MB of memory in use. ENERGY: 893000 773.5302 2135.0458 1927.6916 128.6159 -206004.7229 17907.8645 0.0000 0.0000 34253.0664 -148878.9085 299.1405 -183131.9749 -148783.9408 300.8104 113.7595 149.1170 556380.5476 -0.8059 -0.9465 PRESSURE: 893200 -125.814 -48.8316 101.648 -48.8316 12.9063 114.033 101.649 114.032 -4.33673 GPRESSURE: 893200 -94.1194 -20.9 90.6763 -43.69 43.6644 114.455 110.25 122.889 25.2114 PRESSAVG: 893200 -15.5088 2.3604 6.19176 2.36044 -56.2278 75.1503 6.19179 75.1502 136.067 GPRESSAVG: 893200 -14.7786 4.18391 7.80084 2.1356 -57.2566 76.867 6.20192 75.6312 136.033 TIMING: 893200 CPU: 2648.81, 0.00295797/step Wall: 2648.81, 0.00295797/step, 3.37438 hours remaining, 206.777344 MB of memory in use. ENERGY: 893200 739.7599 2061.5429 1960.5691 126.1734 -205754.7945 17587.4428 0.0000 0.0000 34320.9142 -148958.3922 299.7331 -183279.3064 -148857.2634 299.8923 -39.0814 -8.4145 557690.3848 21.4433 21.3327 PRESSURE: 893400 -117.716 29.9908 -112.606 29.9907 83.9647 -145.67 -112.606 -145.67 95.4415 GPRESSURE: 893400 -113.412 72.2268 -145.091 24.0625 94.7103 -106.507 -79.2897 -45.6734 183.645 PRESSAVG: 893400 -27.2175 19.0875 6.58749 19.0875 -32.8613 33.2299 6.58751 33.2297 24.5823 GPRESSAVG: 893400 -28.5955 17.2639 5.32681 19.7219 -31.206 32.1116 7.8276 33.1408 24.1991 TIMING: 893400 CPU: 2649.41, 0.00296884/step Wall: 2649.41, 0.00296884/step, 3.38663 hours remaining, 206.777344 MB of memory in use. ENERGY: 893400 773.2753 2101.7705 1951.9245 117.8718 -205755.2743 17661.3744 0.0000 0.0000 34307.0104 -148842.0474 299.6117 -183149.0578 -148746.5365 300.0273 20.5632 54.9811 556623.8522 -11.8322 -11.8675 PRESSURE: 893600 73.8137 -21.6288 -30.8297 -21.6297 -80.051 -34.3177 -30.8296 -34.3179 -39.1283 GPRESSURE: 893600 139.309 43.3395 16.8099 0.778047 -82.3178 -34.1591 -77.6749 -56.2797 -1.7056 PRESSAVG: 893600 -0.699452 -78.8236 15.778 -78.8237 -55.6478 -49.2286 15.778 -49.2287 39.1741 GPRESSAVG: 893600 1.82748 -75.8388 15.5501 -80.3012 -57.7325 -50.1694 15.1967 -48.685 39.2454 TIMING: 893600 CPU: 2650, 0.00297025/step Wall: 2650, 0.00297025/step, 3.38807 hours remaining, 206.777344 MB of memory in use. ENERGY: 893600 795.4170 2111.1261 1919.4003 118.5922 -205915.8218 17774.5593 0.0000 0.0000 34569.2330 -148627.4938 301.9017 -183196.7268 -148531.3156 300.8702 -15.1219 18.4287 557980.0422 -5.7244 -5.5532 PRESSURE: 893800 126.811 -10.2962 -9.0536 -10.2961 -41.3362 5.33201 -9.05297 5.33095 138.751 GPRESSURE: 893800 172.422 -24.8401 -50.8717 28.6798 -32.6826 19.2447 7.12481 40.0235 183.499 PRESSAVG: 893800 -11.1795 -41.9737 -39.4787 -41.9736 -16.3885 -22.8705 -39.4786 -22.8705 22.8781 GPRESSAVG: 893800 -13.0038 -44.3048 -37.6919 -39.8892 -15.4949 -22.3356 -40.2158 -22.2668 23.8018 TIMING: 893800 CPU: 2650.6, 0.00298203/step Wall: 2650.6, 0.00298203/step, 3.40134 hours remaining, 206.777344 MB of memory in use. ENERGY: 893800 728.3378 2144.6363 1968.9165 109.4538 -206009.6139 17899.6005 0.0000 0.0000 34367.6972 -148790.9719 300.1416 -183158.6691 -148689.8931 301.1918 74.7418 107.7463 559439.7166 -1.5633 -1.5656 PRESSURE: 894000 -104.296 19.0823 -10.4104 19.0847 4.92268 38.1715 -10.4098 38.1705 -176.187 GPRESSURE: 894000 -116.516 -2.82123 -8.04532 2.13712 15.4426 67.1666 -62.2773 10.0239 -81.3651 PRESSAVG: 894000 -31.5307 -13.1109 1.50904 -13.111 27.6992 -14.5213 1.50897 -14.5214 5.73972 GPRESSAVG: 894000 -30.3409 -10.4001 0.0643166 -14.7762 27.3273 -14.7833 3.42179 -14.5256 5.09651 TIMING: 894000 CPU: 2651.19, 0.002979/step Wall: 2651.19, 0.002979/step, 3.39772 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: 894000 772.7564 2148.0675 1941.1748 119.5203 -205745.0015 17693.9725 0.0000 0.0000 34510.0502 -148559.4598 301.3849 -183069.5100 -148468.8188 300.7593 -91.8533 -60.8128 558986.4458 0.6361 0.6943 PRESSURE: 894200 -110.671 185.151 -223.624 185.151 -136.415 51.4752 -223.624 51.4727 5.27802 GPRESSURE: 894200 -40.1741 222.766 -207.026 173.489 -100.204 31.3729 -214.502 6.08682 -10.1739 PRESSAVG: 894200 0.702165 -11.5352 -0.35169 -11.5352 -57.5535 50.7235 -0.351695 50.7233 9.15517 GPRESSAVG: 894200 0.737089 -13.2557 0.427685 -10.9434 -56.7887 51.131 -0.0957077 50.314 8.7269 TIMING: 894200 CPU: 2651.78, 0.0029466/step Wall: 2651.78, 0.0029466/step, 3.3606 hours remaining, 206.777344 MB of memory in use. ENERGY: 894200 749.8573 2121.1661 1951.6568 119.9273 -205596.4724 17565.0503 0.0000 0.0000 34499.0845 -148589.7302 301.2891 -183088.8146 -148497.7596 301.2478 -80.6026 -50.1841 557724.0154 -15.8987 -15.7749 PRESSURE: 894400 -113.71 -113.063 -95.7051 -113.064 -420.359 -178.847 -95.7033 -178.846 -68.793 GPRESSURE: 894400 -155.742 -202.436 -64.2983 -33.0459 -334.039 -207.152 -146.348 -210.263 -15.8289 PRESSAVG: 894400 62.6287 3.90176 -4.75141 3.90182 -51.9012 -15.4391 -4.75129 -15.4391 -36.2361 GPRESSAVG: 894400 62.0252 2.27125 -6.95867 4.34069 -53.7496 -14.5774 -4.36183 -16.9499 -33.6712 TIMING: 894400 CPU: 2652.37, 0.00296588/step Wall: 2652.37, 0.00296588/step, 3.38242 hours remaining, 206.777344 MB of memory in use. ENERGY: 894400 777.5734 2085.9369 1964.6504 127.3953 -205207.6583 17071.1449 0.0000 0.0000 34395.3651 -148785.5923 300.3833 -183180.9574 -148692.7816 300.4228 -200.9541 -168.5369 558091.0582 -8.5029 -8.4652 PRESSURE: 894600 -81.0803 170.223 -50.2335 170.224 -109.579 85.0327 -50.2339 85.0334 157.412 GPRESSURE: 894600 -61.3877 172.925 0.348095 114.247 -70.7905 154.552 -41.0214 10.2323 187.583 PRESSAVG: 894600 -11.6086 -34.4716 -20.5048 -34.4714 -37.1246 -50.6162 -20.5048 -50.6163 37.0182 GPRESSAVG: 894600 -11.5569 -32.5148 -18.8616 -32.4688 -35.1101 -50.1189 -20.8869 -50.1257 34.9877 TIMING: 894600 CPU: 2652.97, 0.00296064/step Wall: 2652.97, 0.00296064/step, 3.37628 hours remaining, 206.777344 MB of memory in use. ENERGY: 894600 717.2432 2094.5203 1971.0070 127.2610 -205776.9500 17572.3641 0.0000 0.0000 34444.6770 -148849.8775 300.8139 -183294.5545 -148764.5257 300.5458 -11.0822 18.4684 556810.1032 -3.9050 -3.8931 PRESSURE: 894800 -385.651 7.11005 -37.1992 7.11043 -209.925 -134.268 -37.1992 -134.268 -284.624 GPRESSURE: 894800 -344.974 -76.5136 97.8816 -4.75306 -172.318 -104.061 -96.0305 -182.564 -269.915 PRESSAVG: 894800 3.56297 -21.2177 -29.0691 -21.2176 -33.79 -42.8866 -29.0692 -42.8866 64.4913 GPRESSAVG: 894800 4.21521 -23.7285 -28.9953 -22.0723 -33.6474 -43.6998 -31.1889 -43.1813 63.5951 TIMING: 894800 CPU: 2653.56, 0.00298057/step Wall: 2653.56, 0.00298057/step, 3.39884 hours remaining, 206.777344 MB of memory in use. ENERGY: 894800 748.4316 2115.5554 1988.3408 110.1881 -205118.9965 17030.2128 0.0000 0.0000 34401.3126 -148724.9552 300.4352 -183126.2678 -148626.3493 300.4986 -293.3998 -262.4022 558001.4986 11.4214 11.3877 PRESSURE: 895000 102.924 215.939 154.941 215.939 24.989 -107.694 154.942 -107.695 25.0208 GPRESSURE: 895000 84.8889 294.755 83.3754 153.384 112.585 -156.307 18.6713 -66.4685 38.3686 PRESSAVG: 895000 -11.8849 -2.07692 -15.699 -2.07685 13.5204 -87.8486 -15.6991 -87.8487 25.2768 GPRESSAVG: 895000 -12.7518 -0.800468 -15.8155 -2.86994 13.9548 -88.5658 -14.2871 -86.8387 25.9747 TIMING: 895000 CPU: 2654.16, 0.00298882/step Wall: 2654.16, 0.00298882/step, 3.40808 hours remaining, 206.777344 MB of memory in use. ENERGY: 895000 758.7661 2127.3239 1975.9847 117.9220 -205893.7851 17740.3515 0.0000 0.0000 34391.2760 -148782.1610 300.3476 -183173.4370 -148685.2465 300.7895 50.9780 78.6141 556974.5127 8.9708 9.0592 PRESSURE: 895200 -270.197 33.1283 -55.3064 33.1273 -370.696 16.3608 -55.3066 16.3594 -213.526 GPRESSURE: 895200 -237.473 98.5492 8.75196 -123.908 -357.083 55.6891 -33.7862 45.8461 -168.72 PRESSAVG: 895200 8.68722 -0.6246 -32.3348 -0.624576 -50.8834 -46.7607 -32.3348 -46.7608 28.3972 GPRESSAVG: 895200 8.86758 0.800339 -34.6022 -1.41305 -51.3447 -46.5288 -32.2605 -47.2829 28.7113 TIMING: 895200 CPU: 2654.75, 0.00296862/step Wall: 2654.75, 0.00296862/step, 3.38488 hours remaining, 206.777344 MB of memory in use. ENERGY: 895200 775.9542 2139.9346 1954.0706 114.9307 -205379.0808 17347.5514 0.0000 0.0000 34334.1199 -148712.5194 299.8484 -183046.6392 -148620.3984 300.8740 -284.8064 -254.4250 559633.9744 -4.5997 -4.5886 PRESSURE: 895400 -172.384 43.7576 -140.239 43.7571 -38.8536 -46.8661 -140.241 -46.8671 -193.297 GPRESSURE: 895400 -152.596 28.2887 -127.422 -33.2806 -20.1157 -42.2632 -115.879 44.4164 -120.271 PRESSAVG: 895400 -51.9715 -58.9394 -51.7977 -58.9395 16.6559 -24.5858 -51.7978 -24.5857 -10.6646 GPRESSAVG: 895400 -52.3153 -59.9414 -49.7026 -57.3035 17.1194 -25.2305 -54.2569 -25.2914 -10.6426 TIMING: 895400 CPU: 2655.35, 0.00298224/step Wall: 2655.35, 0.00298224/step, 3.40025 hours remaining, 206.777344 MB of memory in use. ENERGY: 895400 739.6754 2145.7729 1955.7413 127.2818 -205798.3581 17816.8490 0.0000 0.0000 34272.2200 -148740.8177 299.3078 -183013.0377 -148642.5992 300.7780 -134.8449 -97.6611 559835.0815 -15.3267 -15.2795 PRESSURE: 895600 -121.546 43.8992 -83.9918 43.8992 -108.047 138.057 -83.9922 138.057 -471.953 GPRESSURE: 895600 -123.608 -14.6212 -81.3825 30.7997 -59.4629 150.863 -128.515 123.172 -423.036 PRESSAVG: 895600 16.8979 37.6693 -4.64405 37.6693 12.131 13.5631 -4.644 13.563 -24.0916 GPRESSAVG: 895600 17.4303 37.5453 -4.6097 35.8756 12.4519 13.716 -4.264 13.8571 -25.2024 TIMING: 895600 CPU: 2655.94, 0.00296642/step Wall: 2655.94, 0.00296642/step, 3.38204 hours remaining, 206.777344 MB of memory in use. ENERGY: 895600 748.8871 2099.7199 1954.1219 116.7103 -206097.7130 17811.8309 0.0000 0.0000 34473.5998 -148892.8430 301.0665 -183366.4428 -148789.1612 300.6498 -233.8488 -202.0357 561861.7580 1.6458 1.5599 PRESSURE: 895800 -6.74412 -40.739 -11.789 -40.7385 -13.7587 150.18 -11.7886 150.18 -51.6766 GPRESSURE: 895800 52.045 34.4633 -86.9641 -76.867 50.0639 116.45 64.038 233.812 -72.8992 PRESSAVG: 895800 -13.7167 -2.65388 -19.8416 -2.65381 54.6504 17.3617 -19.8416 17.3617 -58.3205 GPRESSAVG: 895800 -13.8418 -4.37616 -19.8008 -0.913259 53.4148 17.6939 -18.0882 19.2428 -56.478 TIMING: 895800 CPU: 2656.54, 0.00297122/step Wall: 2656.54, 0.00297122/step, 3.38735 hours remaining, 206.777344 MB of memory in use. ENERGY: 895800 729.9790 2080.7930 1916.6330 117.9963 -206244.7067 17957.3727 0.0000 0.0000 34608.7514 -148833.1814 302.2468 -183441.9328 -148738.2481 299.8253 -24.0598 9.7366 558265.1230 -5.7956 -5.6350 PRESSURE: 896000 -116.115 53.5064 -19.722 53.5063 154.663 -166.015 -19.7221 -166.016 238.588 GPRESSURE: 896000 -109.72 54.6614 -76.4484 59.6426 196.986 -116.471 4.75807 -189.996 284.688 PRESSAVG: 896000 -13.0026 -0.270963 14.0213 -0.270967 8.42103 -40.5471 14.0214 -40.547 18.9041 GPRESSAVG: 896000 -12.5523 1.93012 11.9913 -2.8031 7.85607 -40.8493 15.705 -41.1878 18.5762 TIMING: 896000 CPU: 2657.13, 0.00297146/step Wall: 2657.13, 0.00297146/step, 3.38746 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: 896000 782.4933 2168.5822 1922.4041 119.4649 -206413.3881 17994.6944 0.0000 0.0000 34450.5216 -148975.2276 300.8650 -183425.7493 -148871.4569 300.9567 92.3787 123.9844 557339.7554 4.7742 4.6266 PRESSURE: 896200 -267.453 -62.3122 -60.1432 -62.3109 89.788 17.2033 -60.1418 17.2031 -150.963 GPRESSURE: 896200 -190.868 -25.8243 -95.4076 -114.986 110.74 29.2087 -39.8787 60.3019 -155.09 PRESSAVG: 896200 4.67951 38.894 3.836 38.894 53.0628 -7.08481 3.83599 -7.0848 -31.5812 GPRESSAVG: 896200 3.81157 38.2874 5.68287 39.3816 53.5035 -6.04768 1.50171 -8.23738 -31.5863 TIMING: 896200 CPU: 2657.73, 0.00298546/step Wall: 2657.73, 0.00298546/step, 3.40326 hours remaining, 206.777344 MB of memory in use. ENERGY: 896200 723.2061 2153.4745 1944.9632 123.6490 -205438.2160 17458.0629 0.0000 0.0000 34242.3891 -148792.4712 299.0473 -183034.8603 -148692.7336 300.6508 -109.5427 -78.4057 558117.5995 8.7204 8.5763 LDB: ============= START OF LOAD BALANCING ============== 2661.16 LDB: ============== END OF LOAD BALANCING =============== 2661.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2661.16 LDB: ============= START OF LOAD BALANCING ============== 2661.46 LDB: Largest compute 4848 load 0.030171 is 25.6% of average load 0.117789 LDB: Average compute 0.001749 is 1.5% of average load 0.117789 LDB: TIME 2661.46 LOAD: AVG 0.117789 MAX 0.199749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.195 MB LDB: TIME 2661.46 LOAD: AVG 0.117789 MAX 0.199749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.199 MB LDB: TIME 2661.46 LOAD: AVG 0.117789 MAX 0.199749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2661.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2661.47 PRESSURE: 896400 -329.022 -130.533 -161.242 -130.534 91.5036 -20.0471 -161.242 -20.0463 15.574 GPRESSURE: 896400 -188.87 -62.5447 -162.097 -131.597 56.3297 36.7414 -214.852 16.8436 1.41832 PRESSAVG: 896400 27.9258 30.2563 -26.2012 30.2563 7.91935 -18.5432 -26.2013 -18.5434 -61.692 GPRESSAVG: 896400 27.8296 32.0029 -28.1318 28.5294 7.84066 -18.7308 -22.5529 -16.4936 -62.1244 TIMING: 896400 CPU: 2658.34, 0.00304938/step Wall: 2658.34, 0.00304938/step, 3.47596 hours remaining, 205.937500 MB of memory in use. ENERGY: 896400 754.9224 2073.5056 1917.2347 108.7264 -206094.0915 17733.5572 0.0000 0.0000 34563.0123 -148943.1329 301.8474 -183506.1452 -148841.4304 300.4549 -73.9813 -43.7073 557491.5110 -8.6156 -8.8181 PRESSURE: 896600 -245.586 -123.219 62.8518 -123.219 312.002 -27.7339 62.8534 -27.7352 -268.396 GPRESSURE: 896600 -235.35 -134.707 3.19343 -76.7099 346.442 -26.3788 -1.29114 -48.3026 -211.643 PRESSAVG: 896600 -26.1404 -19.6532 -1.32688 -19.6532 57.7839 3.35468 -1.32691 3.35463 -10.74 GPRESSAVG: 896600 -25.3218 -21.2443 1.68836 -18.6601 57.5601 0.341839 -6.00149 3.1233 -10.8208 TIMING: 896600 CPU: 2658.94, 0.00297815/step Wall: 2658.94, 0.00297815/step, 3.3946 hours remaining, 205.937500 MB of memory in use. ENERGY: 896600 718.4557 2081.1516 1935.2289 118.0552 -205760.2679 17528.3726 0.0000 0.0000 34300.5390 -149078.4649 299.5551 -183379.0039 -148977.2666 299.5559 -67.3267 -33.5168 557540.0051 6.9678 7.1392 PRESSURE: 896800 -95.262 -30.8138 166.701 -30.8139 -68.2933 -115.507 166.7 -115.507 -267.614 GPRESSURE: 896800 -29.9568 -59.1877 202.308 -85.5989 -64.9358 -86.2089 121.209 -52.4064 -223.913 PRESSAVG: 896800 17.1376 -26.5903 2.57629 -26.5903 14.9796 -28.314 2.5763 -28.314 -42.7902 GPRESSAVG: 896800 16.3551 -26.7462 2.24584 -25.3603 15.0061 -26.8443 5.00524 -29.4063 -42.2652 TIMING: 896800 CPU: 2659.53, 0.00297651/step Wall: 2659.53, 0.00297651/step, 3.39256 hours remaining, 205.937500 MB of memory in use. ENERGY: 896800 748.6562 2063.5524 1963.2598 113.0607 -206136.1384 17691.6838 0.0000 0.0000 34546.7937 -149009.1318 301.7057 -183555.9254 -148919.7961 300.2605 -143.7233 -106.2684 556769.4325 -3.5577 -3.6347 PRESSURE: 897000 241.732 142.022 68.636 142.023 154.289 -175.207 68.6376 -175.208 -138.325 GPRESSURE: 897000 283.265 134.142 77.4526 162.082 185.545 -177.895 98.9245 -204.738 -113.628 PRESSAVG: 897000 -33.0817 5.67275 93.8661 5.6727 45.0324 -16.8852 93.866 -16.8853 -49.6189 GPRESSAVG: 897000 -33.2994 5.74751 93.3651 5.09811 47.4739 -15.9005 93.3529 -16.863 -51.5457 TIMING: 897000 CPU: 2660.12, 0.00296755/step Wall: 2660.12, 0.00296755/step, 3.38218 hours remaining, 205.937500 MB of memory in use. ENERGY: 897000 675.0742 2043.4480 1935.9724 113.3051 -205744.5926 17743.4064 0.0000 0.0000 34208.7112 -149024.6754 298.7532 -183233.3866 -148923.4340 300.2129 85.8984 118.3941 558434.7174 -12.5561 -12.4571 PRESSURE: 897200 -93.9079 -57.4744 -54.8379 -57.4746 64.9611 51.6578 -54.838 51.6575 -169.647 GPRESSURE: 897200 -27.5029 -28.8039 -128.282 -168.588 67.3631 -12.0247 9.86381 121.153 -147.568 PRESSAVG: 897200 57.8994 -23.7267 -63.391 -23.7268 17.0994 -39.5259 -63.3911 -39.5261 -70.9784 GPRESSAVG: 897200 57.1809 -22.3171 -64.0966 -25.2744 16.0669 -39.2822 -62.7189 -39.9925 -69.8759 TIMING: 897200 CPU: 2660.72, 0.00295763/step Wall: 2660.72, 0.00295763/step, 3.37071 hours remaining, 205.937500 MB of memory in use. ENERGY: 897200 778.9840 2102.3696 1927.4887 108.4856 -205960.6716 17689.6263 0.0000 0.0000 34363.8281 -148989.8894 300.1079 -183353.7174 -148888.9575 298.9245 -66.1980 -35.9027 557878.1702 1.3401 1.1239 PRESSURE: 897400 -185.613 -162.446 101.218 -162.448 -185.943 -5.8198 101.22 -5.81989 158.086 GPRESSURE: 897400 -94.0205 -188.423 131.524 -202.438 -169.103 -14.0475 93.4568 36.2865 144.696 PRESSAVG: 897400 -18.7859 -23.5922 33.2409 -23.5922 22.3769 -17.7215 33.2409 -17.7215 37.8022 GPRESSAVG: 897400 -17.4703 -23.6087 31.4146 -21.7176 21.1361 -17.5992 32.9294 -17.9969 37.5324 TIMING: 897400 CPU: 2661.31, 0.00297951/step Wall: 2661.31, 0.00297951/step, 3.39548 hours remaining, 205.937500 MB of memory in use. ENERGY: 897400 717.0186 2077.9853 1941.3131 107.8033 -205842.0535 17692.5573 0.0000 0.0000 34281.1812 -149024.1949 299.3861 -183305.3760 -148919.1928 299.5800 -71.1568 -39.4758 559239.4909 13.7977 13.7328 PRESSURE: 897600 -194.189 -69.1656 -122.416 -69.1652 -73.3958 20.625 -122.415 20.6228 -124.574 GPRESSURE: 897600 -168.57 -78.7033 -144.854 -13.5186 -18.9196 8.50082 -127.143 -50.0055 -114.181 PRESSAVG: 897600 -83.8928 -10.2882 53.5323 -10.2882 41.4636 -4.6476 53.5322 -4.64764 17.1292 GPRESSAVG: 897600 -84.981 -11.8512 55.4915 -10.3583 42.9394 -4.30456 52.2788 -5.74702 16.1721 TIMING: 897600 CPU: 2661.91, 0.0029762/step Wall: 2661.91, 0.0029762/step, 3.39154 hours remaining, 205.937500 MB of memory in use. ENERGY: 897600 729.4446 2029.8517 1956.4299 102.9787 -205817.1782 17493.9245 0.0000 0.0000 34278.8801 -149225.6687 299.3660 -183504.5488 -149125.6012 299.6875 -130.7194 -100.5570 559054.2391 -8.4333 -8.6232 PRESSURE: 897800 -169.359 77.4851 -241.425 77.4846 -153.931 -104.326 -241.425 -104.326 -126.391 GPRESSURE: 897800 -88.4822 93.8534 -159.85 157.388 -216.476 -9.90683 -334.506 -187.493 -45.9216 PRESSAVG: 897800 3.49724 -66.4636 27.5242 -66.4636 -19.1688 -27.8153 27.5241 -27.8154 44.3635 GPRESSAVG: 897800 4.4744 -64.656 27.2167 -68.6154 -20.709 -29.7409 27.756 -26.2101 44.3964 TIMING: 897800 CPU: 2662.5, 0.00297391/step Wall: 2662.5, 0.00297391/step, 3.38876 hours remaining, 205.937500 MB of memory in use. ENERGY: 897800 745.8828 2050.2276 1930.4044 114.2994 -206073.6663 17670.7051 0.0000 0.0000 34402.7287 -149159.4183 300.4476 -183562.1470 -149048.5311 299.5507 -149.8937 -116.9600 558553.2608 9.5640 9.3872 PRESSURE: 898000 -304.032 38.3408 194.808 38.3408 -45.3881 -98.0712 194.809 -98.071 -84.9335 GPRESSURE: 898000 -231.966 38.2776 170.219 47.3869 -35.1977 -73.1986 154.757 -35.7054 -62.0859 PRESSAVG: 898000 -71.5068 -33.3892 50.209 -33.3893 50.0532 -3.3675 50.2091 -3.36747 13.215 GPRESSAVG: 898000 -72.0976 -36.4223 50.0785 -29.6006 51.1759 -1.46481 52.0854 -6.17796 12.6381 TIMING: 898000 CPU: 2663.1, 0.00297117/step Wall: 2663.1, 0.00297118/step, 3.38549 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: 898000 762.9005 2124.8882 1941.5531 112.9033 -206053.4104 17684.9349 0.0000 0.0000 34292.8762 -149133.3541 299.4882 -183426.2303 -149037.4948 299.8172 -144.7847 -109.7499 558524.6785 -2.7462 -2.7612 PRESSURE: 898200 -76.2045 -126.692 -153.769 -126.692 -341.74 -99.8146 -153.77 -99.8163 -300.53 GPRESSURE: 898200 -59.9722 -132.116 -255.606 -85.7564 -292.138 -61.0776 -164.863 -201.323 -274.24 PRESSAVG: 898200 33.6016 18.432 20.1248 18.4321 21.0604 -30.4409 20.1248 -30.4408 -15.099 GPRESSAVG: 898200 35.0504 19.6552 20.7036 14.8262 19.6232 -31.0439 18.4515 -28.8257 -14.9874 TIMING: 898200 CPU: 2663.69, 0.00297897/step Wall: 2663.69, 0.00297897/step, 3.39421 hours remaining, 205.937500 MB of memory in use. ENERGY: 898200 763.5628 2083.0813 1942.5155 115.2241 -205761.0689 17361.7023 0.0000 0.0000 34257.3804 -149237.6024 299.1782 -183494.9828 -149136.5378 299.3634 -239.4917 -208.7836 557958.6177 13.1877 13.2287 PRESSURE: 898400 68.5953 3.95574 25.8952 3.95563 -43.8842 -113.059 25.8942 -113.06 -112.078 GPRESSURE: 898400 102.679 -60.7797 26.0154 81.7398 -40.6886 -76.002 47.0034 -136.433 -57.7994 PRESSAVG: 898400 -5.75294 2.42628 34.573 2.42627 -2.82234 -25.997 34.5729 -25.9971 -16.208 GPRESSAVG: 898400 -6.10405 1.37187 33.9762 3.37025 -2.60345 -25.9924 35.9726 -26.6595 -16.3685 TIMING: 898400 CPU: 2664.29, 0.00298047/step Wall: 2664.29, 0.00298047/step, 3.39575 hours remaining, 205.937500 MB of memory in use. ENERGY: 898400 768.7007 2101.9030 1948.7194 106.1675 -206152.0454 17718.6375 0.0000 0.0000 34267.3340 -149240.5833 299.2652 -183507.9173 -149141.6016 299.5164 -29.1224 1.3970 556275.9775 -8.2611 -8.3587 PRESSURE: 898600 -207.096 -21.2228 -30.9014 -21.2235 81.6691 -64.1854 -30.9024 -64.187 89.3988 GPRESSURE: 898600 -86.8854 -15.7507 -23.3393 -89.2543 105.127 22.138 -89.0153 -104.972 32.8652 PRESSAVG: 898600 -23.8435 -7.0975 61.1457 -7.09752 15.1553 27.9094 61.1458 27.9092 3.82145 GPRESSAVG: 898600 -25.2974 -6.49413 62.2419 -6.22414 16.5464 29.2432 60.0599 29.0343 3.97698 TIMING: 898600 CPU: 2664.88, 0.00297718/step Wall: 2664.88, 0.00297718/step, 3.39183 hours remaining, 205.937500 MB of memory in use. ENERGY: 898600 756.5959 2047.0697 1944.4810 105.9411 -206223.9117 17781.6737 0.0000 0.0000 34281.2677 -149306.8826 299.3868 -183588.1503 -149211.4234 299.1006 -12.0093 17.0357 556309.0150 -1.6223 -1.5914 PRESSURE: 898800 -237.621 14.025 -32.0458 14.025 -45.8733 55.9893 -32.0456 55.9885 -299.542 GPRESSURE: 898800 -179.376 1.86276 -14.5294 33.4766 -55.9688 43.9031 -66.51 -5.64416 -245.803 PRESSAVG: 898800 6.2545 -41.7465 19.3767 -41.7466 22.5358 3.80687 19.3768 3.80672 -52.3828 GPRESSAVG: 898800 6.34947 -42.8561 19.6977 -40.6439 21.2525 0.134582 19.2046 3.40213 -51.0198 TIMING: 898800 CPU: 2665.48, 0.002981/step Wall: 2665.48, 0.002981/step, 3.39602 hours remaining, 205.937500 MB of memory in use. ENERGY: 898800 759.2666 2043.8813 1945.0081 101.9248 -205772.6942 17484.8686 0.0000 0.0000 34325.5320 -149112.2129 299.7734 -183437.7448 -149014.0643 299.9658 -194.3454 -160.3827 557786.2420 -7.8642 -7.8059 PRESSURE: 899000 363.086 -14.4118 26.2178 -14.4108 172.246 120.709 26.2176 120.708 95.8517 GPRESSURE: 899000 426.029 10.5086 112.169 -8.68685 197.736 54.1621 -7.15677 105.338 100.422 PRESSAVG: 899000 -11.363 15.7435 -12.7955 15.7435 101.825 -24.6482 -12.7953 -24.6481 -73.8379 GPRESSAVG: 899000 -9.76052 17.2008 -13.4581 13.1333 101.465 -20.8209 -12.4589 -25.3096 -74.6235 TIMING: 899000 CPU: 2666.09, 0.00303043/step Wall: 2666.09, 0.00303043/step, 3.45216 hours remaining, 205.937500 MB of memory in use. ENERGY: 899000 722.5639 2108.4447 1952.7485 101.8735 -206491.4625 18039.3425 0.0000 0.0000 34394.2957 -149172.1937 300.3739 -183566.4894 -149071.0352 299.5204 210.3943 241.3955 555309.8378 5.5414 5.6937 PRESSURE: 899200 -220.908 136.218 12.1409 136.217 -114.893 -17.1337 12.1396 -17.132 245.395 GPRESSURE: 899200 -167.424 233.223 -17.9514 135.984 -90.7612 42.4935 16.3761 -9.21831 259.179 PRESSAVG: 899200 -47.6211 1.38725 7.78362 1.38725 31.2574 64.0243 7.78357 64.0243 3.2355 GPRESSAVG: 899200 -47.6451 3.66029 6.87386 1.14121 31.4406 61.8334 7.19276 66.4873 2.91584 TIMING: 899200 CPU: 2666.68, 0.00298922/step Wall: 2666.68, 0.00298922/step, 3.40505 hours remaining, 205.937500 MB of memory in use. ENERGY: 899200 781.8933 2054.9426 1947.6919 113.3178 -206326.1724 17782.7584 0.0000 0.0000 34458.7527 -149186.8157 300.9369 -183645.5684 -149091.7435 299.7461 -30.1356 0.3313 557876.5735 -4.3761 -4.4295 PRESSURE: 899400 -26.6563 -44.4242 0.343208 -44.4245 8.97619 -93.8315 0.343041 -93.8309 -26.3999 GPRESSURE: 899400 19.5149 -19.6005 13.4779 -13.3966 20.5627 -144.187 -20.578 -96.6737 18.8293 PRESSAVG: 899400 -21.2061 -4.48053 -11.9644 -4.48057 40.1786 45.9072 -11.9643 45.9072 13.3188 GPRESSAVG: 899400 -22.3932 -6.3757 -12.8144 -3.08272 40.2904 45.9035 -10.0378 43.8162 14.4562 TIMING: 899400 CPU: 2667.28, 0.00300014/step Wall: 2667.28, 0.00300014/step, 3.41733 hours remaining, 205.937500 MB of memory in use. ENERGY: 899400 786.6022 2053.2180 1960.9928 99.6864 -206357.6739 17939.7439 0.0000 0.0000 34431.6160 -149085.8145 300.6999 -183517.4305 -148992.6901 299.1668 -14.6933 19.6356 557317.2999 10.7638 10.7845 PRESSURE: 899600 63.6436 -118.641 -45.0618 -118.639 -159.98 -105.28 -45.0611 -105.282 -0.931487 GPRESSURE: 899600 77.3794 -168.856 8.90615 -92.6234 -135.621 -131.103 -108.699 -46.0534 44.3605 PRESSAVG: 899600 45.2618 -18.796 -5.98482 -18.7959 -32.2492 -27.2592 -5.98473 -27.2593 -4.62019 GPRESSAVG: 899600 45.4948 -17.3511 -4.07314 -18.2824 -31.9344 -28.9366 -8.02612 -26.9888 -5.13668 TIMING: 899600 CPU: 2667.89, 0.00300951/step Wall: 2667.89, 0.00300951/step, 3.42783 hours remaining, 205.937500 MB of memory in use. ENERGY: 899600 787.7831 2095.5631 1921.4967 116.5820 -206366.9856 17871.8815 0.0000 0.0000 34388.3873 -149185.2919 300.3223 -183573.6792 -149091.1044 299.8852 -32.4228 -4.6271 558109.7723 2.7975 2.8079 PRESSURE: 899800 -209.334 -96.3194 -13.8174 -96.3187 -195.257 -142.57 -13.8153 -142.571 -173.503 GPRESSURE: 899800 -113.503 -72.5907 -5.30068 -56.8586 -207.31 -117.276 52.5626 -98.0193 -147.812 PRESSAVG: 899800 -2.09123 -2.27723 10.9459 -2.27715 -27.5255 -12.8821 10.9459 -12.8822 70.7256 GPRESSAVG: 899800 -1.71086 -4.27509 9.55733 -2.61084 -27.7083 -12.9263 10.8668 -13.2018 70.5544 TIMING: 899800 CPU: 2668.49, 0.003/step Wall: 2668.49, 0.003/step, 3.41683 hours remaining, 205.937500 MB of memory in use. ENERGY: 899800 746.4756 2124.8918 1949.8297 108.4704 -206069.3319 17668.3670 0.0000 0.0000 34251.9235 -149219.3737 299.1306 -183471.2972 -149122.2020 299.1688 -192.6978 -156.2083 558837.1820 13.7030 13.7118 PRESSURE: 900000 189.104 -97.2228 66.6538 -97.2237 -186.287 -4.52146 66.6531 -4.52135 0.996671 GPRESSURE: 900000 208.096 -163.382 29.4695 -65.9 -86.7965 61.3793 92.5225 22.0028 -4.81429 PRESSAVG: 900000 48.578 46.7035 19.6662 46.7035 -55.6361 -19.3282 19.6662 -19.3281 21.6311 GPRESSAVG: 900000 48.5433 47.568 17.7085 48.7218 -56.1551 -17.7624 21.3761 -18.1211 21.781 TIMING: 900000 CPU: 2669.08, 0.00299504/step Wall: 2669.08, 0.00299504/step, 3.41102 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: 900000 767.6354 2067.8195 1960.0865 118.9976 -206253.5121 17716.7215 0.0000 0.0000 34599.6400 -149022.6116 302.1673 -183622.2516 -148926.7441 299.2248 1.2715 38.8283 557012.6398 4.8577 4.7231 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 900000 WRITING COORDINATES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART COORDINATES The last position output (seq=900000) takes 0.010 seconds, 205.938 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 900200 -10.3597 27.1215 143.824 27.1217 191.459 -6.95015 143.825 -6.94792 160.418 GPRESSURE: 900200 45.5097 69.6572 111.737 -46.0041 216.19 -49.5115 127.452 12.7387 159.203 PRESSAVG: 900200 -23.2455 65.4434 -34.7082 65.4435 20.4833 -11.4591 -34.7082 -11.4592 -0.370522 GPRESSAVG: 900200 -22.8485 64.6568 -34.7624 62.9104 20.4382 -9.61921 -34.6708 -13.7457 -1.08491 TIMING: 900200 CPU: 2669.74, 0.00329743/step Wall: 2669.74, 0.00329743/step, 3.75522 hours remaining, 205.937500 MB of memory in use. ENERGY: 900200 773.8413 2067.7690 1930.0294 110.8182 -206264.3768 18022.1568 0.0000 0.0000 34330.6260 -149029.1360 299.8179 -183359.7620 -148929.3641 300.4983 113.8391 140.3008 558704.7774 -1.0442 -1.1651 LDB: ============= START OF LOAD BALANCING ============== 2673.17 LDB: ============== END OF LOAD BALANCING =============== 2673.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2673.17 LDB: ============= START OF LOAD BALANCING ============== 2673.47 LDB: Largest compute 4848 load 0.030596 is 26.0% of average load 0.117831 LDB: Average compute 0.001749 is 1.5% of average load 0.117831 LDB: TIME 2673.47 LOAD: AVG 0.117831 MAX 0.19837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 2673.47 LOAD: AVG 0.117831 MAX 0.19837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: TIME 2673.47 LOAD: AVG 0.117831 MAX 0.19837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2673.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2673.48 PRESSURE: 900400 220.503 30.8418 63.8122 30.8407 4.77045 120.034 63.8115 120.033 17.8475 GPRESSURE: 900400 231.123 105.721 -23.2312 -62.6062 54.3912 113.559 135.61 114.077 51.7749 PRESSAVG: 900400 76.2524 -49.8948 -18.6971 -49.8948 46.4006 6.77595 -18.6971 6.77592 -67.5472 GPRESSAVG: 900400 75.7186 -48.3262 -18.2949 -49.973 45.4144 5.07704 -17.8473 7.59881 -65.833 TIMING: 900400 CPU: 2670.35, 0.00303047/step Wall: 2670.35, 0.00303047/step, 3.45103 hours remaining, 205.222656 MB of memory in use. ENERGY: 900400 757.7619 2112.3503 1914.9564 110.6779 -206425.4172 18027.9670 0.0000 0.0000 34449.1921 -149052.5117 300.8534 -183501.7038 -148961.5415 300.0986 81.0403 112.4296 557629.4491 18.3686 18.4333 PRESSURE: 900600 119.547 -24.2622 15.8091 -24.2615 -86.6019 -176.075 15.809 -176.077 -193.821 GPRESSURE: 900600 131.552 87.0593 -5.29871 44.6889 -56.903 -207.324 22.3261 -201.464 -140.424 PRESSAVG: 900600 30.4783 49.0019 41.8558 49.0019 13.0005 39.6056 41.8558 39.6057 -51.3271 GPRESSAVG: 900600 30.1722 50.226 43.9702 48.2719 14.1268 38.8485 39.0406 41.3058 -52.002 TIMING: 900600 CPU: 2670.95, 0.00297824/step Wall: 2670.95, 0.00297824/step, 3.39139 hours remaining, 205.222656 MB of memory in use. ENERGY: 900600 729.9575 2095.4301 1939.3694 133.6847 -205977.0000 17754.0338 0.0000 0.0000 34304.9157 -149019.6087 299.5934 -183324.5244 -148929.2300 300.1927 -53.6254 -21.9249 558222.4348 -2.6161 -2.5676 PRESSURE: 900800 -302.581 -74.1698 -105.958 -74.1708 -188.408 -77.9985 -105.957 -77.9994 -386.177 GPRESSURE: 900800 -296.064 -42.991 -17.5216 -64.9345 -142.681 -88.8817 -183.289 -36.3648 -334.434 PRESSAVG: 900800 3.43676 -18.8085 -10.7815 -18.8085 -45.1575 -0.142312 -10.7815 -0.142287 27.2902 GPRESSAVG: 900800 3.26921 -19.6125 -11.1288 -18.3468 -46.367 1.54778 -10.2946 -0.59438 29.1234 TIMING: 900800 CPU: 2671.54, 0.0029527/step Wall: 2671.54, 0.0029527/step, 3.36214 hours remaining, 205.222656 MB of memory in use. ENERGY: 900800 742.9240 2123.0022 1952.3834 116.3635 -205514.4453 17546.5142 0.0000 0.0000 34198.8983 -148834.3597 298.6675 -183033.2580 -148743.2607 299.0071 -292.3885 -257.7264 560276.8568 -4.8102 -4.6581 PRESSURE: 901000 64.4458 37.3897 -65.7347 37.3904 120.391 -84.2374 -65.7351 -84.2366 269.48 GPRESSURE: 901000 94.2201 16.2837 -127.884 38.0349 174.379 -57.052 -68.403 -166.531 273.755 PRESSAVG: 901000 4.90404 23.4655 -4.23619 23.4655 2.6662 68.289 -4.2362 68.2892 39.2187 GPRESSAVG: 901000 5.78214 24.0677 -3.10645 24.2509 3.49471 67.4391 -4.00935 66.9966 37.4299 TIMING: 901000 CPU: 2672.13, 0.00297507/step Wall: 2672.13, 0.00297508/step, 3.38745 hours remaining, 205.222656 MB of memory in use. ENERGY: 901000 715.6824 2047.4286 1959.3204 116.4736 -205934.6568 17837.2910 0.0000 0.0000 34410.4959 -148847.9649 300.5154 -183258.4608 -148752.6952 300.3343 151.4389 180.7849 558006.1974 15.5963 15.5689 PRESSURE: 901200 -82.9143 119.595 85.2009 119.595 -24.4374 -51.554 85.2018 -51.5564 67.2668 GPRESSURE: 901200 -60.4231 77.2432 51.109 148.007 22.3854 -105.782 17.2203 -42.9332 81.8879 PRESSAVG: 901200 27.0978 0.0440628 11.9618 0.0440121 3.69494 7.6509 11.9618 7.65087 9.57195 GPRESSAVG: 901200 26.1591 -0.536131 8.56124 0.218482 3.44253 8.3389 13.6186 9.76711 10.5436 TIMING: 901200 CPU: 2672.73, 0.00298234/step Wall: 2672.73, 0.00298234/step, 3.39556 hours remaining, 205.222656 MB of memory in use. ENERGY: 901200 761.8296 2107.7404 1951.0037 122.2786 -205828.7033 17823.4571 0.0000 0.0000 34282.6631 -148779.7307 299.3990 -183062.3938 -148682.0731 300.3793 -13.3616 14.6167 559806.1564 13.4549 13.3817 PRESSURE: 901400 58.7639 61.2972 38.5535 61.2977 239.974 112.855 38.5531 112.855 -75.0709 GPRESSURE: 901400 73.4784 135.085 -46.3189 -27.4814 235.321 106.036 123.355 112.725 6.47414 PRESSAVG: 901400 -2.27861 -9.61234 16.0065 -9.61242 30.8507 18.4107 16.0065 18.4107 -56.9172 GPRESSAVG: 901400 -2.57926 -8.8349 18.265 -11.448 31.002 18.1317 15.7526 17.1915 -56.5953 TIMING: 901400 CPU: 2673.32, 0.00295966/step Wall: 2673.32, 0.00295967/step, 3.36958 hours remaining, 205.222656 MB of memory in use. ENERGY: 901400 724.6140 2102.6316 1937.0659 104.6525 -206090.7639 17849.7674 0.0000 0.0000 34413.9171 -148958.1153 300.5453 -183372.0324 -148857.0227 300.0304 74.5555 105.0912 559358.2950 -9.4484 -9.3908 PRESSURE: 901600 -259.72 -7.8672 71.6716 -7.86791 -65.8648 72.0608 71.6703 72.0612 112.993 GPRESSURE: 901600 -244.819 -15.414 80.833 43.6397 -26.0467 59.0656 81.6842 61.6537 150.535 PRESSAVG: 901600 22.5214 -12.9922 3.90683 -12.9923 8.7077 -30.1807 3.90684 -30.1807 -0.686745 GPRESSAVG: 901600 22.7418 -12.0445 4.66277 -12.0724 10.7742 -30.6428 2.5864 -30.0896 -3.2867 TIMING: 901600 CPU: 2673.91, 0.00297399/step Wall: 2673.91, 0.00297399/step, 3.38572 hours remaining, 205.222656 MB of memory in use. ENERGY: 901600 769.8086 2083.9507 1933.1942 107.9110 -206238.3347 17774.5599 0.0000 0.0000 34561.1043 -149007.8059 301.8307 -183568.9102 -148910.9402 299.5121 -70.8642 -40.1099 558127.8687 10.1808 10.0764 PRESSURE: 901800 -207.136 -153.926 224.212 -153.925 -42.9975 -26.9592 224.212 -26.9615 -105.818 GPRESSURE: 901800 -175.75 -60.6574 222.186 -121.719 -0.569404 -28.6509 284.497 -14.1679 -93.987 PRESSAVG: 901800 8.2923 11.9334 64.3225 11.9335 11.2738 23.4356 64.3227 23.4357 -33.637 GPRESSAVG: 901800 8.66145 10.1221 66.6545 13.1004 9.33299 25.6013 63.2373 21.7762 -32.0322 TIMING: 901800 CPU: 2674.51, 0.00298862/step Wall: 2674.51, 0.00298862/step, 3.40221 hours remaining, 205.222656 MB of memory in use. ENERGY: 901800 753.1578 2101.5388 1945.9638 112.8334 -205778.2325 17600.2638 0.0000 0.0000 34418.2008 -148846.2740 300.5827 -183264.4748 -148751.4431 300.5519 -118.6505 -90.1020 558502.7606 -4.6903 -4.6792 PRESSURE: 902000 -111.497 146.677 -1.74843 146.677 -19.5282 105.413 -1.74814 105.414 98.9185 GPRESSURE: 902000 -62.3483 138.795 -9.4415 137.453 32.3209 48.6524 -93.4171 127.603 87.2793 PRESSAVG: 902000 52.3292 46.7978 1.39515 46.798 -6.46702 17.5369 1.39516 17.5368 -43.9718 GPRESSAVG: 902000 52.339 48.3413 -1.27941 44.7535 -5.6522 15.7367 1.77769 19.1353 -44.3461 TIMING: 902000 CPU: 2675.1, 0.00296048/step Wall: 2675.1, 0.00296048/step, 3.37001 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: 902000 755.6865 2105.2736 1961.8511 122.7593 -206159.9547 17859.4863 0.0000 0.0000 34416.1615 -148938.7362 300.5649 -183354.8978 -148851.5869 300.1136 -10.7023 19.0840 558704.3198 0.6301 0.7802 PRESSURE: 902200 150.71 -43.7671 3.66958 -43.767 119.976 -158.818 3.67039 -158.817 112.329 GPRESSURE: 902200 188.437 -134.538 38.29 -21.3491 95.9764 -140.81 45.2959 -145.886 202.042 PRESSAVG: 902200 24.859 -19.4343 2.81918 -19.4344 -24.0093 19.0906 2.81908 19.0906 -14.9181 GPRESSAVG: 902200 24.7868 -20.9356 5.0299 -19.1433 -25.6014 17.2668 3.26873 19.6674 -13.1754 TIMING: 902200 CPU: 2675.7, 0.00298349/step Wall: 2675.7, 0.00298349/step, 3.39604 hours remaining, 205.222656 MB of memory in use. ENERGY: 902200 713.5970 2082.1573 1957.3130 112.9470 -206273.1869 17992.5327 0.0000 0.0000 34405.3722 -149009.2677 300.4707 -183414.6399 -148918.4311 300.5404 127.6718 162.1519 557934.1186 -4.6895 -4.6633 PRESSURE: 902400 -55.0073 43.1469 -11.8613 43.1468 -0.005064 79.393 -11.8614 79.3925 -371.874 GPRESSURE: 902400 -24.2289 14.6193 -22.7218 88.1052 -40.2563 96.9989 9.18508 27.7499 -268.81 PRESSAVG: 902400 39.1601 -35.6554 1.35918 -35.6554 26.4412 -34.2992 1.35917 -34.2993 -80.621 GPRESSAVG: 902400 38.2007 -35.1745 -1.22828 -33.4312 27.6433 -34.6199 2.49334 -34.4512 -80.3893 TIMING: 902400 CPU: 2676.3, 0.00297905/step Wall: 2676.3, 0.00297905/step, 3.39082 hours remaining, 205.222656 MB of memory in use. ENERGY: 902400 745.6096 2125.7698 1942.6003 97.9039 -205957.3574 17700.9062 0.0000 0.0000 34289.8780 -149054.6897 299.4620 -183344.5677 -148965.7683 299.9383 -142.2953 -111.0983 558413.6118 -5.0065 -4.8484 PRESSURE: 902600 116.364 -38.6881 12.2125 -38.6886 -137.844 21.043 12.2137 21.0441 -18.8055 GPRESSURE: 902600 128.243 7.33455 12.1513 -54.3312 -75.7439 -1.29662 21.8549 62.9248 5.12875 PRESSAVG: 902600 -14.4607 -41.7253 7.43582 -41.7252 24.685 9.00978 7.43594 9.0097 23.3946 GPRESSAVG: 902600 -13.4552 -42.5908 8.51942 -41.8192 25.395 11.8135 7.47486 8.6712 21.7033 TIMING: 902600 CPU: 2676.89, 0.0029809/step Wall: 2676.89, 0.0029809/step, 3.39276 hours remaining, 205.222656 MB of memory in use. ENERGY: 902600 749.1930 2077.9916 1950.4901 106.2665 -205925.0333 17866.4295 0.0000 0.0000 34237.5149 -148937.1476 299.0047 -183174.6625 -148837.4235 299.5688 -13.4288 19.2094 558932.1583 11.2063 11.2144 PRESSURE: 902800 -45.0558 71.1451 110.732 71.1438 177.095 -82.285 110.731 -82.2846 369.425 GPRESSURE: 902800 0.00103902 91.8823 78.5086 110.912 154.362 4.52584 160.527 -164.955 442.31 PRESSAVG: 902800 -24.6181 -24.9393 -13.5815 -24.9394 -56.6923 29.1911 -13.5815 29.1911 77.3131 GPRESSAVG: 902800 -25.0751 -25.3134 -15.2851 -26.4407 -57.9983 29.335 -13.1137 27.9748 79.4823 TIMING: 902800 CPU: 2677.49, 0.00296306/step Wall: 2677.49, 0.00296306/step, 3.37229 hours remaining, 205.222656 MB of memory in use. ENERGY: 902800 716.4957 2109.1381 1938.1530 117.2456 -206257.4251 17955.8424 0.0000 0.0000 34185.4184 -149235.1319 298.5498 -183420.5503 -149139.4909 299.3102 167.1547 198.8909 557804.3891 -1.3324 -1.1970 PRESSURE: 903000 83.0907 -268.415 -126.866 -268.414 104.174 -84.916 -126.866 -84.9161 41.9011 GPRESSURE: 903000 84.0313 -210.216 -99.4252 -279.994 110.352 -158.41 -54.0984 -57.4079 144.022 PRESSAVG: 903000 34.4434 -12.9778 -25.575 -12.9778 7.46726 1.71539 -25.575 1.71546 -18.2518 GPRESSAVG: 903000 36.039 -13.2091 -22.5505 -13.4754 6.97601 -0.802327 -27.4821 4.42614 -19.7223 TIMING: 903000 CPU: 2678.08, 0.00295639/step Wall: 2678.08, 0.00295639/step, 3.36453 hours remaining, 205.222656 MB of memory in use. ENERGY: 903000 701.3047 2106.2846 1956.1445 102.7562 -206308.7611 17892.2816 0.0000 0.0000 34256.9548 -149293.0347 299.1745 -183549.9895 -149194.2032 299.2591 76.3886 112.8019 558736.2737 7.8863 7.7642 PRESSURE: 903200 -22.0018 60.599 112.436 60.5986 -215.036 -49.5145 112.437 -49.5136 47.1658 GPRESSURE: 903200 45.301 -17.4409 181.674 42.6898 -184.656 -105.318 116.427 -104.584 45.7435 PRESSAVG: 903200 -11.771 21.326 -1.88131 21.3259 25.07 -58.1401 -1.88123 -58.1401 15.8621 GPRESSAVG: 903200 -14.5641 22.6883 -3.81555 22.2931 25.8169 -57.628 -1.85432 -58.5771 17.438 TIMING: 903200 CPU: 2678.68, 0.00299379/step Wall: 2678.68, 0.00299379/step, 3.40693 hours remaining, 205.222656 MB of memory in use. ENERGY: 903200 732.7803 2170.3483 1935.8812 122.5379 -206054.3090 17700.0085 0.0000 0.0000 34080.5337 -149312.2191 297.6338 -183392.7528 -149216.4812 299.0140 -63.2908 -31.2040 557914.2657 9.7204 9.5636 PRESSURE: 903400 -196.169 -178.688 100.85 -178.688 -178.241 103.432 100.851 103.432 -92.0195 GPRESSURE: 903400 -160.067 -215.532 67.8378 -78.5868 -76.2027 112.643 114.035 108.242 -134.941 PRESSAVG: 903400 -40.7691 9.10146 71.9625 9.1015 9.1404 -42.4767 71.9625 -42.4768 -15.5896 GPRESSAVG: 903400 -39.6608 8.35287 72.2207 9.16776 9.30588 -40.3905 72.1222 -44.0589 -16.7625 TIMING: 903400 CPU: 2679.27, 0.00295882/step Wall: 2679.27, 0.00295882/step, 3.36698 hours remaining, 205.222656 MB of memory in use. ENERGY: 903400 749.6584 2102.2714 1938.9109 108.8400 -205836.8046 17526.4532 0.0000 0.0000 34196.6289 -149214.0418 298.6477 -183410.6707 -149118.6194 298.9501 -155.4767 -123.7369 558324.7622 -15.7394 -15.7058 PRESSURE: 903600 -12.8726 5.70086 116.566 5.70026 -231.401 -89.4421 116.567 -89.4422 -333.896 GPRESSURE: 903600 3.83416 -0.611767 209.755 15.4518 -169.581 -95.5758 85.1048 -37.7864 -323.513 PRESSAVG: 903600 10.8802 67.3515 31.154 67.3515 -9.18144 20.2079 31.1541 20.2079 27.2933 GPRESSAVG: 903600 10.5513 67.0217 30.652 67.2458 -8.89245 17.4206 32.1997 21.4524 26.7811 TIMING: 903600 CPU: 2679.86, 0.00295725/step Wall: 2679.86, 0.00295725/step, 3.36503 hours remaining, 205.222656 MB of memory in use. ENERGY: 903600 734.2161 2039.2492 1951.0365 106.7883 -205972.4760 17537.0144 0.0000 0.0000 34213.2767 -149390.8948 298.7931 -183604.1715 -149286.1531 299.1145 -192.7234 -163.0864 558827.5382 9.6640 9.4800 PRESSURE: 903800 167.731 61.5771 -21.5775 61.5762 374.827 -57.641 -21.5778 -57.6429 31.7387 GPRESSURE: 903800 206.32 -9.88315 -25.8598 118.226 422.419 -35.7468 -99.4957 -51.7994 43.0962 PRESSAVG: 903800 -48.7403 38.9105 38.0324 38.9105 -36.8958 -8.10867 38.0323 -8.1086 54.9482 GPRESSAVG: 903800 -48.2464 37.7701 37.9151 40.713 -37.1126 -5.11586 37.4692 -8.02246 54.1742 TIMING: 903800 CPU: 2680.45, 0.00296469/step Wall: 2680.45, 0.00296469/step, 3.37332 hours remaining, 205.222656 MB of memory in use. ENERGY: 903800 767.4008 2168.4958 1911.7092 101.3083 -206705.3046 18172.1251 0.0000 0.0000 34131.3647 -149452.9006 298.0777 -183584.2654 -149359.6044 298.6510 191.4321 223.9449 557010.3720 -10.2293 -10.3949 PRESSURE: 904000 92.1287 -48.6299 6.89995 -48.6312 105.281 31.0554 6.89977 31.0557 166.354 GPRESSURE: 904000 93.2501 -63.3825 -9.54761 -75.7428 162.735 33.1547 34.1875 -16.2737 212.012 PRESSAVG: 904000 -10.395 52.1618 48.7313 52.1618 -17.7017 -23.2117 48.7312 -23.2118 19.8772 GPRESSAVG: 904000 -9.41953 52.7514 47.7067 52.6493 -17.8002 -25.3838 49.3274 -23.8681 18.647 TIMING: 904000 CPU: 2681.04, 0.00296308/step Wall: 2681.04, 0.00296308/step, 3.37133 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: 904000 697.3872 2100.7619 1937.4667 123.0484 -206341.9981 17993.3887 0.0000 0.0000 34113.4479 -149376.4972 297.9212 -183489.9451 -149275.6041 298.7321 121.2545 155.9991 557021.9519 -2.7399 -2.8575 PRESSURE: 904200 -312.923 179.216 200.361 179.216 82.7732 -22.6873 200.361 -22.6866 -32.0258 GPRESSURE: 904200 -297.911 208.273 152.092 245.928 171.164 -45.9467 230.822 19.3382 -37.8731 PRESSAVG: 904200 -22.7633 14.3439 -44.8297 14.3439 -24.4986 -43.9582 -44.8297 -43.9582 44.7411 GPRESSAVG: 904200 -22.706 15.1479 -43.0673 14.4616 -23.8236 -42.9968 -44.6543 -42.9426 43.9316 TIMING: 904200 CPU: 2681.64, 0.00296454/step Wall: 2681.64, 0.00296454/step, 3.37282 hours remaining, 205.222656 MB of memory in use. ENERGY: 904200 778.2220 2112.6640 1944.3021 116.5685 -206580.7144 17860.7213 0.0000 0.0000 34242.2079 -149526.0287 299.0457 -183768.2366 -149430.5381 298.6907 -87.3917 -54.8733 558640.5128 -0.8403 -0.8660 LDB: ============= START OF LOAD BALANCING ============== 2685.06 LDB: ============== END OF LOAD BALANCING =============== 2685.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2685.07 LDB: ============= START OF LOAD BALANCING ============== 2685.36 LDB: Largest compute 4846 load 0.028083 is 23.8% of average load 0.117807 LDB: Average compute 0.001742 is 1.5% of average load 0.117807 LDB: TIME 2685.36 LOAD: AVG 0.117807 MAX 0.198035 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 2685.36 LOAD: AVG 0.117807 MAX 0.198035 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.734 MB LDB: TIME 2685.36 LOAD: AVG 0.117807 MAX 0.198035 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.734 MB LDB: ============== END OF LOAD BALANCING =============== 2685.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2685.37 PRESSURE: 904400 179.869 155.02 125.03 155.021 168.161 56.6718 125.029 56.6704 36.6502 GPRESSURE: 904400 170.315 179.924 100.461 168.025 189.32 78.1888 54.3652 98.6895 131.978 PRESSAVG: 904400 -21.0403 64.1107 17.0876 64.1107 3.6866 -5.58457 17.0876 -5.58459 46.7853 GPRESSAVG: 904400 -21.6408 66.042 18.1077 61.6164 3.48452 -5.9628 16.4427 -8.45103 48.1606 TIMING: 904400 CPU: 2682.24, 0.00302222/step Wall: 2682.24, 0.00302222/step, 3.43828 hours remaining, 206.503906 MB of memory in use. ENERGY: 904400 745.0813 2075.1229 1971.3979 117.0174 -206779.4143 18170.3009 0.0000 0.0000 34326.1588 -149374.3351 299.7789 -183700.4939 -149279.2106 298.7344 128.2267 163.8712 557360.9414 9.8105 10.0014 PRESSURE: 904600 -163.578 -41.4534 -94.2334 -41.4542 -56.5208 -3.71241 -94.2335 -3.7115 328.144 GPRESSURE: 904600 -95.4562 -29.4063 -183.532 -7.83803 -43.3115 1.78287 -143.155 -56.34 331.61 PRESSAVG: 904600 11.8444 21.3855 -48.1554 21.3856 -58.7039 -14.5741 -48.1553 -14.574 34.3914 GPRESSAVG: 904600 12.5904 20.8922 -49.1024 19.6899 -59.4599 -15.7331 -49.0191 -12.7904 35.1347 TIMING: 904600 CPU: 2682.83, 0.00296645/step Wall: 2682.83, 0.00296645/step, 3.37466 hours remaining, 206.503906 MB of memory in use. ENERGY: 904600 744.2398 2082.7789 1958.7147 115.5275 -206438.3999 17954.4846 0.0000 0.0000 34312.1141 -149270.5401 299.6562 -183582.6543 -149175.2819 298.8412 36.0154 64.2809 558470.7061 -4.1560 -3.9116 PRESSURE: 904800 75.8978 6.2635 84.9787 6.26405 21.4654 -52.5793 84.9782 -52.5781 36.6564 GPRESSURE: 904800 146.632 23.8611 102.474 19.2661 68.1227 -82.2261 90.3503 -8.18687 19.7448 PRESSAVG: 904800 -18.2682 10.226 2.29289 10.226 -58.4832 -36.509 2.29287 -36.509 36.7897 GPRESSAVG: 904800 -18.6699 9.42218 2.42407 12.6228 -58.6461 -34.98 2.60212 -37.0639 37.1629 TIMING: 904800 CPU: 2683.43, 0.00298294/step Wall: 2683.43, 0.00298294/step, 3.39326 hours remaining, 206.761719 MB of memory in use. ENERGY: 904800 727.7351 2062.6293 1929.1513 119.3675 -206530.9691 17973.2646 0.0000 0.0000 34341.6746 -149377.1466 299.9144 -183718.8211 -149281.6514 299.1473 44.6732 78.1664 557763.7053 -13.3206 -13.3844 PRESSURE: 905000 169.046 -102.064 141.284 -102.064 -87.4846 11.9414 141.284 11.9418 -13.2646 GPRESSURE: 905000 184.329 -63.971 105.577 -149.335 -43.3857 40.4719 156.449 67.7558 21.2358 PRESSAVG: 905000 26.9889 4.39805 59.4471 4.39814 -44.9595 -21.5601 59.4472 -21.5602 47.6432 GPRESSAVG: 905000 26.7384 3.9709 57.9231 5.63576 -44.289 -22.3552 61.1586 -20.4695 47.0938 TIMING: 905000 CPU: 2684.03, 0.00299094/step Wall: 2684.03, 0.00299094/step, 3.40219 hours remaining, 206.761719 MB of memory in use. ENERGY: 905000 778.7029 2113.5937 1947.2022 122.0976 -206352.7521 17777.1331 0.0000 0.0000 34244.0038 -149370.0188 299.0614 -183614.0226 -149276.0478 298.8690 22.7657 54.0597 557857.8591 9.8909 9.8477 PRESSURE: 905200 24.1611 -82.7362 17.04 -82.7359 -29.4604 -31.0071 17.0406 -31.007 82.8558 GPRESSURE: 905200 126.742 -32.6984 1.45393 -4.52249 -40.4509 59.5668 65.173 -20.9583 86.5138 PRESSAVG: 905200 -29.5532 31.8278 -5.98693 31.8279 -1.40943 -1.58712 -5.98689 -1.5871 13.9757 GPRESSAVG: 905200 -29.58 29.6322 -5.40252 32.179 -2.53554 -2.20572 -6.5598 -1.00616 14.7609 TIMING: 905200 CPU: 2684.63, 0.00299752/step Wall: 2684.63, 0.00299752/step, 3.40952 hours remaining, 206.761719 MB of memory in use. ENERGY: 905200 730.2567 2072.3874 1947.6372 112.6952 -206144.8029 17859.1514 0.0000 0.0000 34122.8560 -149299.8189 298.0034 -183422.6749 -149199.9531 299.1197 25.8522 57.6016 558344.9015 -5.6623 -5.7849 PRESSURE: 905400 -8.4703 -40.2622 45.445 -40.2618 -144.885 -89.4136 45.4464 -89.4157 -161.893 GPRESSURE: 905400 47.558 -73.3828 26.5115 -36.9366 -128.53 -129.906 7.51763 -61.3219 -133.965 PRESSAVG: 905400 -29.5826 -24.1279 33.7981 -24.1279 -12.034 -21.9895 33.7983 -21.9897 30.2651 GPRESSAVG: 905400 -30.5411 -21.548 34.145 -26.7717 -12.4162 -21.9512 31.5623 -23.5039 31.0213 TIMING: 905400 CPU: 2685.23, 0.00299402/step Wall: 2685.23, 0.00299402/step, 3.40537 hours remaining, 206.761719 MB of memory in use. ENERGY: 905400 785.1338 2094.0323 1938.4825 106.8517 -206339.9689 17747.5143 0.0000 0.0000 34048.8026 -149619.1518 297.3567 -183667.9544 -149520.7074 298.5088 -105.0826 -71.6457 557694.9017 -3.7838 -3.9787 PRESSURE: 905600 -122.273 -28.0165 -259.307 -28.0159 -130.746 -11.3476 -259.306 -11.3471 -214.37 GPRESSURE: 905600 -127.258 -46.0885 -231.509 -51.5445 -75.562 74.1807 -212.005 -15.9639 -162.24 PRESSAVG: 905600 -27.3359 -49.1394 -35.301 -49.1393 -20.5709 -16.0156 -35.301 -16.0158 14.8213 GPRESSAVG: 905600 -26.9324 -49.6032 -35.658 -47.2479 -20.6765 -14.8609 -32.9273 -14.9454 14.3759 TIMING: 905600 CPU: 2685.82, 0.00297782/step Wall: 2685.82, 0.00297782/step, 3.38677 hours remaining, 206.761719 MB of memory in use. ENERGY: 905600 765.2614 2094.7460 1920.7115 121.5998 -206349.6235 17762.0636 0.0000 0.0000 34177.8176 -149507.4236 298.4834 -183685.2412 -149413.7008 297.9220 -155.7960 -121.6869 559087.5598 -11.0285 -11.0777 PRESSURE: 905800 193.761 -0.123412 -103.219 -0.123197 -111.887 1.79969 -103.218 1.79908 -554.064 GPRESSURE: 905800 172.055 -79.9463 -76.9177 18.1537 -19.8338 -72.8443 -135.157 10.5159 -528.986 PRESSAVG: 905800 81.8912 -35.3581 17.1603 -35.3581 -64.5644 -15.1241 17.1603 -15.1241 25.2033 GPRESSAVG: 905800 82.0121 -35.0578 14.4985 -36.0568 -64.5073 -15.328 17.3684 -14.3188 24.4059 TIMING: 905800 CPU: 2686.42, 0.00297353/step Wall: 2686.42, 0.00297353/step, 3.38172 hours remaining, 206.761719 MB of memory in use. ENERGY: 905800 776.0110 2023.3074 1934.4789 111.3713 -206330.6945 17586.3358 0.0000 0.0000 34328.1944 -149570.9956 299.7967 -183899.1901 -149462.6629 298.7271 -157.3966 -125.5883 557831.7369 14.1767 13.9702 PRESSURE: 906000 238.645 -83.5632 -46.2768 -83.5626 -70.567 11.8755 -46.2769 11.8754 224.12 GPRESSURE: 906000 270.459 -70.4401 -96.6886 -126.368 -47.9088 -77.0865 -100.729 -3.88592 265.556 PRESSAVG: 906000 54.9577 37.7593 -1.60873 37.7593 -47.6734 17.1185 -1.60871 17.1184 -7.05658 GPRESSAVG: 906000 55.1569 40.0699 1.25538 36.7196 -46.948 15.1776 -1.79322 16.3573 -7.59992 TIMING: 906000 CPU: 2687.01, 0.00297922/step Wall: 2687.01, 0.00297922/step, 3.38803 hours remaining, 206.761719 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: 906000 738.2506 2057.6527 1939.8640 110.3993 -206437.2352 18064.9144 0.0000 0.0000 34128.8251 -149397.3291 298.0555 -183526.1543 -149302.8996 298.2322 130.7328 162.7021 557525.3546 0.0759 0.2030 PRESSURE: 906200 102.404 -78.9323 -137.056 -78.9315 -39.3804 78.8303 -137.055 78.8315 45.4469 GPRESSURE: 906200 128.596 -72.01 -224.991 -78.4553 2.77621 109.912 -102.532 116.59 68.4423 PRESSAVG: 906200 29.2682 -9.17021 -37.0947 -9.17016 -43.4158 -45.2301 -37.0947 -45.2303 34.9966 GPRESSAVG: 906200 28.6196 -12.3243 -39.2191 -10.0416 -44.8285 -43.6009 -36.5113 -44.2276 36.5121 TIMING: 906200 CPU: 2687.61, 0.00298039/step Wall: 2687.61, 0.00298039/step, 3.3892 hours remaining, 206.761719 MB of memory in use. ENERGY: 906200 762.5576 2124.5428 1939.1468 103.4152 -206232.9398 17828.7979 0.0000 0.0000 34188.2993 -149286.1803 298.5749 -183474.4796 -149192.1099 299.5060 36.1570 66.6049 557020.9149 6.9497 6.7677 PRESSURE: 906400 -106.374 -53.7795 49.1045 -53.7804 -274.536 -88.1779 49.1041 -88.1762 -40.1327 GPRESSURE: 906400 -88.7652 -111.341 36.4568 37.9195 -259.301 -21.7429 125.255 -119.627 16.6763 PRESSAVG: 906400 -38.3094 -30.4516 37.5727 -30.4515 -18.1361 -22.1535 37.5726 -22.1535 5.92186 GPRESSAVG: 906400 -38.8468 -29.1294 38.3236 -28.8928 -17.1098 -19.4621 35.9615 -24.199 5.02162 TIMING: 906400 CPU: 2688.2, 0.00294925/step Wall: 2688.2, 0.00294925/step, 3.35362 hours remaining, 206.761719 MB of memory in use. ENERGY: 906400 732.1292 2096.7867 1934.4138 112.8095 -205918.6089 17556.7657 0.0000 0.0000 34195.2138 -149290.4902 298.6353 -183485.7040 -149196.3036 298.9946 -140.3474 -110.4634 558452.8409 -16.8412 -16.9783 PRESSURE: 906600 217.276 -40.7541 -236.141 -40.7551 -44.4538 -5.07899 -236.139 -5.07743 210.177 GPRESSURE: 906600 240.272 -89.2919 -255.593 -31.6114 4.55971 68.4235 -269.631 -34.3516 248.332 PRESSAVG: 906600 35.8935 -6.43715 -18.0291 -6.43709 -1.47101 -33.1421 -18.0291 -33.1422 -6.71679 GPRESSAVG: 906600 36.02 -6.32817 -15.823 -8.92296 -1.30238 -34.9883 -17.5719 -33.6157 -6.62156 TIMING: 906600 CPU: 2688.79, 0.00295561/step Wall: 2688.79, 0.00295561/step, 3.36069 hours remaining, 206.761719 MB of memory in use. ENERGY: 906600 743.2865 2116.1946 1957.7675 112.4504 -206729.4991 17958.4417 0.0000 0.0000 34333.7472 -149507.6112 299.8452 -183841.3585 -149416.0027 298.8288 127.6663 164.3880 556667.7969 9.2352 9.3653 PRESSURE: 906800 -29.1005 -40.3115 20.8385 -40.3102 97.6744 82.0524 20.8391 82.0527 -67.1963 GPRESSURE: 906800 38.2842 26.4718 -3.71406 -27.5933 105.838 -6.33962 104.425 115.835 -40.9847 PRESSAVG: 906800 -8.62839 -9.47622 14.1285 -9.47623 6.41437 20.655 14.1285 20.6549 -1.32979 GPRESSAVG: 906800 -8.64372 -10.6955 12.6422 -7.5765 5.97035 19.1141 15.0091 23.1942 -0.900607 TIMING: 906800 CPU: 2689.38, 0.00296918/step Wall: 2689.38, 0.00296918/step, 3.37596 hours remaining, 206.761719 MB of memory in use. ENERGY: 906800 741.1515 2127.4741 1978.5215 97.7602 -206489.9472 17970.1119 0.0000 0.0000 34096.9111 -149478.0168 297.7768 -183574.9280 -149385.5367 299.3720 0.4592 34.3792 556351.7652 -1.1813 -1.1913 PRESSURE: 907000 253.12 -134.132 27.7873 -134.132 138.344 -109.579 27.7873 -109.577 51.6353 GPRESSURE: 907000 272.483 -124.182 -3.2623 -162.951 180.155 -62.0411 101.426 -62.8237 86.0315 PRESSAVG: 907000 24.4623 5.27996 53.0615 5.27999 -70.2852 -35.4691 53.0616 -35.4691 32.2381 GPRESSAVG: 907000 24.2636 6.07277 53.0571 4.71339 -70.3722 -33.3216 54.0915 -35.8769 32.3245 TIMING: 907000 CPU: 2689.98, 0.00296032/step Wall: 2689.98, 0.00296032/step, 3.36572 hours remaining, 206.761719 MB of memory in use. ENERGY: 907000 688.2724 2127.1711 1965.1626 110.7242 -206617.2552 17821.8364 0.0000 0.0000 34304.3270 -149599.7616 299.5882 -183904.0886 -149505.3212 298.8453 147.6999 179.5564 554234.7737 -4.5283 -4.5947 PRESSURE: 907200 -37.9752 10.8905 13.2245 10.8901 77.2562 -43.383 13.2236 -43.382 -37.1256 GPRESSURE: 907200 31.0124 -52.8537 75.1515 -23.1897 112.307 -25.12 81.5867 -54.0658 -50.1985 PRESSAVG: 907200 34.7058 -7.28078 -13.5937 -7.28085 -8.34232 -30.0523 -13.5938 -30.0524 -24.3586 GPRESSAVG: 907200 34.655 -7.10152 -10.9333 -6.66087 -8.12998 -30.5123 -15.2483 -31.2345 -24.9052 TIMING: 907200 CPU: 2690.57, 0.00294351/step Wall: 2690.57, 0.00294351/step, 3.34645 hours remaining, 206.761719 MB of memory in use. ENERGY: 907200 724.5375 2127.0282 1942.6463 115.2890 -206420.8838 17920.0697 0.0000 0.0000 34106.2115 -149485.1018 297.8580 -183591.3133 -149380.2811 298.6082 0.7185 31.0401 557082.6068 0.6683 0.5400 PRESSURE: 907400 -86.5547 138.486 76.7703 138.487 -57.2555 -85.9778 76.7697 -85.9777 -346.221 GPRESSURE: 907400 -56.0564 118.528 117.769 116.962 -64.3945 -126.591 67.3247 -173.486 -279.422 PRESSAVG: 907400 -23.7616 13.4587 31.1542 13.4587 49.2338 -45.6704 31.1543 -45.6704 -9.43833 GPRESSAVG: 907400 -23.176 13.2566 27.8399 13.4187 48.786 -46.0657 33.1269 -45.0366 -9.16082 TIMING: 907400 CPU: 2691.16, 0.00296712/step Wall: 2691.16, 0.00296712/step, 3.37312 hours remaining, 206.761719 MB of memory in use. ENERGY: 907400 717.2058 2087.5361 1942.6559 117.1869 -205955.9894 17647.1983 0.0000 0.0000 34074.1614 -149370.0450 297.5781 -183444.2064 -149272.5417 298.1966 -163.3436 -133.2909 558521.4543 5.3446 5.4831 PRESSURE: 907600 -76.4641 -28.5037 100.139 -28.5032 -193.821 2.7227 100.139 2.72321 75.5294 GPRESSURE: 907600 -123.209 -2.90793 148.499 -59.0025 -94.3458 -22.3707 130.351 5.96889 116.01 PRESSAVG: 907600 26.4802 3.93728 27.0567 3.93729 -16.209 12.1365 27.0568 12.1363 -36.1342 GPRESSAVG: 907600 24.6833 6.08451 27.5686 3.84947 -16.2884 12.9323 27.8257 11.5193 -34.5889 TIMING: 907600 CPU: 2691.75, 0.00294814/step Wall: 2691.75, 0.00294814/step, 3.35138 hours remaining, 206.761719 MB of memory in use. ENERGY: 907600 751.5063 2124.0562 1942.3752 116.5246 -206258.2902 17882.9327 0.0000 0.0000 34085.8890 -149355.0062 297.6805 -183440.8952 -149263.1064 298.3110 -64.9186 -33.8483 558549.8262 -8.6210 -8.7313 PRESSURE: 907800 59.0239 143.702 108.601 143.702 124.863 70.1185 108.603 70.1192 25.6037 GPRESSURE: 907800 78.3082 121.497 75.7865 93.3097 204.167 49.6489 84.4373 39.2113 19.5633 PRESSAVG: 907800 -6.8642 -24.3507 10.9059 -24.3507 63.3277 -36.3693 10.9059 -36.3694 9.45864 GPRESSAVG: 907800 -5.17957 -24.6951 11.0172 -24.8326 63.4016 -37.5854 10.2509 -35.0553 8.26534 TIMING: 907800 CPU: 2692.34, 0.00296084/step Wall: 2692.34, 0.00296084/step, 3.36566 hours remaining, 206.761719 MB of memory in use. ENERGY: 907800 730.3738 2071.9299 1961.7948 100.0075 -206428.7451 17984.6945 0.0000 0.0000 34185.2533 -149394.6912 298.5483 -183579.9445 -149292.5364 298.5302 69.8301 100.6796 557946.4555 21.9740 22.1625 PRESSURE: 908000 -253.677 21.6034 83.7354 21.6033 -138.866 165.802 83.7351 165.801 -166.851 GPRESSURE: 908000 -197.724 -44.902 -4.94039 13.1966 -83.545 191.956 97.7987 242.768 -176.777 PRESSAVG: 908000 -29.5407 -40.3032 4.56025 -40.3032 73.2288 7.44513 4.56032 7.44509 -44.6832 GPRESSAVG: 908000 -30.273 -43.8989 3.84139 -39.0743 73.9202 10.1307 4.12219 5.27499 -44.8194 TIMING: 908000 CPU: 2692.93, 0.00296504/step Wall: 2692.93, 0.00296504/step, 3.37027 hours remaining, 206.761719 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: 908000 735.3001 2123.1775 1948.2006 108.8020 -206046.9976 17743.0011 0.0000 0.0000 34094.9694 -149293.5468 297.7598 -183388.5162 -149203.1986 298.6581 -186.4647 -152.6820 558703.6947 -0.3317 -0.3907 PRESSURE: 908200 -12.9034 -56.8458 21.8561 -56.8455 -210.472 66.4476 21.8547 66.447 164.63 GPRESSURE: 908200 102.14 -88.0888 -8.08133 -2.32783 -169.92 25.9631 13.7388 57.5907 112.724 PRESSAVG: 908200 7.63585 -33.7654 -32.932 -33.7654 26.9312 45.1568 -32.932 45.1569 -33.583 GPRESSAVG: 908200 7.56304 -32.8155 -32.3055 -34.3255 26.3796 42.2118 -34.5149 47.6349 -33.533 TIMING: 908200 CPU: 2693.53, 0.00297586/step Wall: 2693.53, 0.00297586/step, 3.3824 hours remaining, 206.761719 MB of memory in use. ENERGY: 908200 762.5942 2092.1631 1969.1957 111.6010 -206094.8282 17708.5857 0.0000 0.0000 34239.6807 -149211.0077 299.0236 -183450.6884 -149116.3046 299.1015 -19.5819 14.9815 557461.7114 0.3280 0.1365 LDB: ============= START OF LOAD BALANCING ============== 2696.95 LDB: ============== END OF LOAD BALANCING =============== 2696.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2696.96 LDB: ============= START OF LOAD BALANCING ============== 2697.26 LDB: Largest compute 4848 load 0.029513 is 25.0% of average load 0.117856 LDB: Average compute 0.001750 is 1.5% of average load 0.117856 LDB: TIME 2697.26 LOAD: AVG 0.117856 MAX 0.200373 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.484 MB LDB: TIME 2697.26 LOAD: AVG 0.117856 MAX 0.200373 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.547 MB LDB: TIME 2697.26 LOAD: AVG 0.117856 MAX 0.200373 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.547 MB LDB: ============== END OF LOAD BALANCING =============== 2697.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2697.26 PRESSURE: 908400 51.3499 29.5984 81.2081 29.599 50.9592 26.6261 81.2076 26.6257 234.467 GPRESSURE: 908400 85.2472 18.8512 56.7509 51.1373 69.3815 31.7846 58.5983 -30.3617 273.335 PRESSAVG: 908400 22.0321 -32.2047 -52.9111 -32.2046 -43.1538 2.93038 -52.9111 2.93021 21.3734 GPRESSAVG: 908400 22.4017 -29.9955 -51.8074 -34.574 -43.1887 5.51841 -51.9802 -0.0067079 21.3503 TIMING: 908400 CPU: 2694.13, 0.0030284/step Wall: 2694.13, 0.0030284/step, 3.44195 hours remaining, 205.937500 MB of memory in use. ENERGY: 908400 793.4406 2065.4925 1925.4977 101.3251 -206397.7736 17968.7252 0.0000 0.0000 34349.4695 -149193.8231 299.9825 -183543.2926 -149098.4393 298.9447 112.2587 142.6546 558041.9777 0.0839 0.1877 PRESSURE: 908600 70.2643 -138.494 -23.4345 -138.494 -12.5679 -39.0564 -23.4345 -39.0554 99.3638 GPRESSURE: 908600 53.4116 -178.464 14.4991 -63.6272 44.9082 34.0944 5.03865 -18.3833 147.414 PRESSAVG: 908600 1.78601 12.3136 46.065 12.3136 -49.4741 1.73944 46.0651 1.73947 19.5451 GPRESSAVG: 908600 1.31378 11.7642 45.0679 14.4879 -50.1502 1.75055 47.5873 3.97735 20.4147 TIMING: 908600 CPU: 2694.73, 0.00295357/step Wall: 2694.73, 0.00295357/step, 3.35673 hours remaining, 206.140625 MB of memory in use. ENERGY: 908600 753.8115 2109.8147 1954.3985 116.9211 -206167.9192 17762.0485 0.0000 0.0000 34268.0284 -149202.8965 299.2712 -183470.9250 -149107.1251 299.4173 52.3534 81.9111 557138.9226 -9.3810 -9.4739 PRESSURE: 908800 230.99 50.4254 133.312 50.4265 -292.986 127.854 133.312 127.855 -93.7142 GPRESSURE: 908800 264.943 1.01141 175.449 44.0208 -222.854 86.7772 102.199 143.619 -99.44 PRESSAVG: 908800 -41.6762 27.887 -36.6025 27.8869 -24.5689 -6.02023 -36.6026 -6.02028 93.7266 GPRESSAVG: 908800 -41.1087 28.0381 -38.2248 26.9165 -23.5631 -7.43783 -35.5522 -6.28164 92.2546 TIMING: 908800 CPU: 2695.32, 0.00295828/step Wall: 2695.32, 0.00295828/step, 3.36192 hours remaining, 206.140625 MB of memory in use. ENERGY: 908800 740.3569 2079.0562 1941.2528 110.6271 -206183.6938 17856.7719 0.0000 0.0000 34195.2703 -149260.3586 298.6358 -183455.6289 -149164.3337 300.3719 -51.9031 -19.1171 558528.1528 9.1605 9.1943 PRESSURE: 909000 -52.5525 -17.7091 46.8736 -17.7096 0.0862788 -68.1369 46.8739 -68.1369 -343.084 GPRESSURE: 909000 -7.01184 -18.6767 28.1748 -1.14775 30.2376 -47.171 48.9078 -38.0223 -317.654 PRESSAVG: 909000 51.4681 66.7996 15.3119 66.7996 -66.0374 10.5972 15.3119 10.5972 -55.2837 GPRESSAVG: 909000 51.8386 65.4261 15.9242 67.1343 -65.8366 10.1845 13.6737 12.5402 -55.5053 TIMING: 909000 CPU: 2695.91, 0.00295337/step Wall: 2695.91, 0.00295337/step, 3.35618 hours remaining, 206.140625 MB of memory in use. ENERGY: 909000 760.4661 2058.6507 1948.5556 107.2005 -206174.8702 17774.8991 0.0000 0.0000 34286.4571 -149238.6411 299.4322 -183525.0982 -149140.1890 298.7728 -131.8500 -98.1429 559307.9196 -23.2844 -23.1678 PRESSURE: 909200 -28.4718 87.7774 -9.31811 87.7791 -22.3889 0.313295 -9.31944 0.313228 -76.5329 GPRESSURE: 909200 -61.2272 143.365 33.7373 81.665 48.2553 -5.94282 -31.0519 -6.37384 -27.7251 PRESSAVG: 909200 29.0912 47.6528 -30.3204 47.6529 -14.0543 3.69309 -30.3203 3.693 8.90104 GPRESSAVG: 909200 28.8587 48.5642 -27.617 47.1229 -14.0021 4.15819 -30.233 2.21789 9.42052 TIMING: 909200 CPU: 2696.5, 0.00294274/step Wall: 2696.5, 0.00294273/step, 3.34393 hours remaining, 206.140625 MB of memory in use. ENERGY: 909200 742.9663 2078.6034 1950.7067 98.7086 -206027.8571 17787.5350 0.0000 0.0000 34177.1294 -149192.2076 298.4774 -183369.3371 -149101.8848 299.4450 -42.4645 -13.5657 559971.0924 7.9793 8.0924 PRESSURE: 909400 252.256 96.3767 -63.307 96.3777 171.965 9.63566 -63.3077 9.638 -75.1752 GPRESSURE: 909400 305.577 180.903 -22.8964 109.513 221.133 72.9744 -66.7765 -26.3989 -82.7382 PRESSAVG: 909400 52.9278 56.3131 -15.5501 56.3131 38.6524 -4.61922 -15.55 -4.61933 -66.6254 GPRESSAVG: 909400 52.86 57.5251 -17.1803 56.9055 38.0781 -6.8171 -13.95 -3.47958 -66.6225 TIMING: 909400 CPU: 2697.09, 0.00295091/step Wall: 2697.09, 0.00295091/step, 3.35305 hours remaining, 206.140625 MB of memory in use. ENERGY: 909400 738.8075 2138.8274 1968.3748 103.8529 -206401.7158 17980.1753 0.0000 0.0000 34183.4327 -149288.2451 298.5324 -183471.6778 -149198.8128 299.4022 116.3488 147.9905 557231.4024 8.3183 8.1052 PRESSURE: 909600 190.441 57.4552 47.805 57.4556 5.07825 -2.01981 47.8057 -2.02301 -40.7321 GPRESSURE: 909600 179.735 32.5959 -79.4322 46.3917 72.2115 47.011 99.9859 -42.4636 5.16034 PRESSAVG: 909600 74.7282 0.362884 14.1931 0.362961 -18.5956 -11.9068 14.193 -11.9069 -29.4951 GPRESSAVG: 909600 74.1446 -0.874767 14.7904 0.0767987 -17.1815 -10.488 12.7885 -12.6735 -30.0972 TIMING: 909600 CPU: 2697.67, 0.00293502/step Wall: 2697.67, 0.00293502/step, 3.33483 hours remaining, 206.140625 MB of memory in use. ENERGY: 909600 740.9605 2081.4865 1950.8932 110.4038 -206036.8287 17731.6722 0.0000 0.0000 34155.0313 -149266.3812 298.2844 -183421.4125 -149179.6951 299.3406 51.5958 85.7021 556289.8435 8.8792 8.9553 PRESSURE: 909800 -72.5812 15.4267 -61.7281 15.4267 111.691 76.8961 -61.7291 76.8952 158.838 GPRESSURE: 909800 10.4316 5.73197 -77.0242 -40.0743 172.909 42.489 -104.938 56.4593 107.076 PRESSAVG: 909800 -41.4163 21.7515 -27.8676 21.7515 -20.1851 19.6083 -27.8676 19.6083 64.1373 GPRESSAVG: 909800 -40.8695 22.0567 -29.2099 22.0923 -20.1216 19.0243 -28.016 19.1916 63.4991 TIMING: 909800 CPU: 2698.27, 0.00295905/step Wall: 2698.27, 0.00295905/step, 3.36197 hours remaining, 206.140625 MB of memory in use. ENERGY: 909800 747.9810 2145.6958 1931.0578 111.9834 -206390.5137 17928.1109 0.0000 0.0000 34190.7721 -149334.9127 298.5965 -183525.6848 -149236.5352 298.7788 65.9825 96.8057 556716.9424 0.8453 0.8360 PRESSURE: 910000 -93.6053 -80.5631 -69.181 -80.5652 -134.562 -176.072 -69.1805 -176.072 264.646 GPRESSURE: 910000 -58.2891 -103.409 -79.7503 0.546441 -147.221 -148.94 -23.6931 -145.298 342.863 PRESSAVG: 910000 -52.6746 -5.80562 -8.19651 -5.80556 -11.5473 -13.0162 -8.19646 -13.0163 67.657 GPRESSAVG: 910000 -52.1937 -7.04322 -8.24871 -5.60476 -12.6004 -12.575 -7.38738 -12.5674 68.5541 TIMING: 910000 CPU: 2698.86, 0.00297594/step Wall: 2698.86, 0.00297594/step, 3.381 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: 910000 751.2464 2143.0345 1957.3448 115.9483 -206189.7222 17715.8235 0.0000 0.0000 34359.2315 -149147.0931 300.0677 -183506.3247 -149053.2997 299.7444 12.1596 45.7844 557375.9105 1.1450 1.2533 PRESSURE: 910200 -191.028 -40.5641 -98.0036 -40.564 -418.212 66.5584 -98.0035 66.56 -117.207 GPRESSURE: 910200 -174.017 -75.7568 -41.7947 -22.704 -371.339 31.8117 -69.651 106.445 -69.9211 PRESSAVG: 910200 -40.5687 -9.69594 6.7129 -9.69588 -39.4971 -6.49809 6.71288 -6.49807 64.6607 GPRESSAVG: 910200 -40.9399 -8.80039 7.28309 -9.30939 -39.5364 -8.63605 6.12061 -4.7864 65.2205 TIMING: 910200 CPU: 2699.46, 0.00298097/step Wall: 2699.46, 0.00298097/step, 3.38655 hours remaining, 206.140625 MB of memory in use. ENERGY: 910200 796.1397 2076.6954 1953.5506 111.3792 -205940.3765 17579.3483 0.0000 0.0000 34124.7974 -149298.4659 298.0203 -183423.2633 -149200.2574 299.2284 -242.1492 -205.0921 558266.0608 -5.1350 -5.0853 PRESSURE: 910400 225.411 49.4952 -171.303 49.495 29.5719 -66.5722 -171.303 -66.5713 190.576 GPRESSURE: 910400 248.407 30.8145 -187.511 55.5686 71.913 -59.1956 -72.8199 -62.7429 221.178 PRESSAVG: 910400 -38.7891 40.7943 -10.4863 40.7943 -54.7566 41.4056 -10.4863 41.4055 89.3629 GPRESSAVG: 910400 -38.81 41.7978 -9.4566 38.0688 -54.0834 41.534 -11.4367 40.5457 88.8789 TIMING: 910400 CPU: 2700.05, 0.00296467/step Wall: 2700.05, 0.00296467/step, 3.36787 hours remaining, 206.140625 MB of memory in use. ENERGY: 910400 732.1908 2080.4695 1963.9180 110.7559 -206486.6989 17957.4873 0.0000 0.0000 34223.2591 -149418.6182 298.8802 -183641.8773 -149321.9145 298.7497 148.5199 180.4994 557104.1639 -1.3943 -1.3382 PRESSURE: 910600 13.2187 3.09424 15.5064 3.09512 -141.066 -242.407 15.5055 -242.406 80.5287 GPRESSURE: 910600 85.5908 1.7666 12.4116 -1.33262 -183 -169.315 -9.69047 -239.833 135.582 PRESSAVG: 910600 14.8726 8.28067 22.8678 8.28066 -23.0408 -35.2204 22.8678 -35.2202 34.132 GPRESSAVG: 910600 14.2977 8.38625 22.9586 9.23758 -23.34 -33.2132 24.2313 -34.4424 35.041 TIMING: 910600 CPU: 2700.64, 0.00294473/step Wall: 2700.64, 0.00294473/step, 3.34504 hours remaining, 206.140625 MB of memory in use. ENERGY: 910600 775.2744 2056.5896 1968.8361 113.2085 -206282.7800 17766.7739 0.0000 0.0000 34157.9209 -149444.1766 298.3096 -183602.0974 -149352.9458 298.0096 -15.7728 12.7243 558097.9790 8.6546 8.6662 PRESSURE: 910800 168.643 -2.53689 -8.5147 -2.53526 -51.9581 -191.936 -8.51377 -191.937 343.216 GPRESSURE: 910800 248.783 87.3048 -23.5406 -81.0695 -34.2228 -101.848 13.9375 -267.356 339.576 PRESSAVG: 910800 -43.2691 -42.9355 54.6585 -42.9355 -31.5045 -37.2368 54.6586 -37.2369 70.3733 GPRESSAVG: 910800 -42.0745 -45.0696 53.3477 -40.7154 -32.0998 -36.3925 53.0778 -38.4241 69.893 TIMING: 910800 CPU: 2701.23, 0.00293755/step Wall: 2701.23, 0.00293755/step, 3.33673 hours remaining, 206.140625 MB of memory in use. ENERGY: 910800 703.8378 2064.2480 1954.2031 109.4084 -206517.6019 18164.6746 0.0000 0.0000 34218.2908 -149302.9392 298.8368 -183521.2300 -149207.7944 298.9149 153.3004 184.7120 557150.9377 -1.4668 -1.4271 PRESSURE: 911000 46.9847 150.904 5.54299 150.904 -127.779 -8.32579 5.54316 -8.32595 -349.766 GPRESSURE: 911000 28.1084 80.87 52.8875 169.904 -116.884 53.0093 3.80883 -39.2047 -255.887 PRESSAVG: 911000 38.0608 0.144369 50.0506 0.144446 -37.5422 -10.4588 50.0506 -10.4589 15.0209 GPRESSAVG: 911000 36.6655 3.00267 51.1098 -1.30121 -36.0775 -10.6089 52.1116 -9.9937 15.0245 TIMING: 911000 CPU: 2701.82, 0.00294897/step Wall: 2701.82, 0.00294897/step, 3.34954 hours remaining, 206.140625 MB of memory in use. ENERGY: 911000 763.8135 2129.0662 1926.3707 98.4480 -206293.1699 17836.1257 0.0000 0.0000 34209.8030 -149329.5428 298.7627 -183539.3458 -149234.3184 298.8265 -143.5200 -114.8876 558252.6606 5.1798 5.2042 PRESSURE: 911200 66.7653 -118.452 132.507 -118.452 51.2458 -84.7087 132.506 -84.7086 36.8684 GPRESSURE: 911200 145.042 -67.3559 140.577 -84.5931 113.894 -69.2046 121.918 -20.007 3.81212 PRESSAVG: 911200 -25.3491 -51.6281 48.9625 -51.6281 38.9934 2.91765 48.9625 2.91753 -1.18667 GPRESSAVG: 911200 -24.3636 -52.4448 48.2678 -52.4625 37.6728 2.22862 46.1406 2.19112 -0.802739 TIMING: 911200 CPU: 2702.41, 0.00297282/step Wall: 2702.41, 0.00297282/step, 3.37646 hours remaining, 206.140625 MB of memory in use. ENERGY: 911200 759.5371 2091.8691 1923.5029 106.6487 -206378.0585 17985.6959 0.0000 0.0000 34101.2677 -149409.5371 297.8149 -183510.8049 -149317.0002 298.4757 51.6265 87.5827 557242.8695 4.1526 4.1688 PRESSURE: 911400 -115.119 50.3484 -110.114 50.3476 -192.436 19.1419 -110.114 19.1425 -203.836 GPRESSURE: 911400 -106.631 28.7378 -136.412 28.5869 -173.413 -41.1788 -135.584 101.528 -127.093 PRESSAVG: 911400 5.76047 -8.92845 -33.4342 -8.92858 20.3546 1.96891 -33.4342 1.96895 27.5128 GPRESSAVG: 911400 5.2523 -9.92281 -34.9211 -7.00403 20.4698 3.56403 -32.1815 -0.99156 27.7476 TIMING: 911400 CPU: 2703.01, 0.00297477/step Wall: 2703.01, 0.00297477/step, 3.37851 hours remaining, 206.140625 MB of memory in use. ENERGY: 911400 711.5660 2057.8055 1949.9502 120.5807 -205881.9553 17463.6032 0.0000 0.0000 34125.9446 -149452.5051 298.0304 -183578.4497 -149353.1836 298.4127 -170.4638 -135.7123 557729.7817 17.8759 17.8232 PRESSURE: 911600 -110.943 -128.635 -44.0624 -128.635 -155.81 -262.739 -44.0627 -262.741 -224.148 GPRESSURE: 911600 -66.3714 -198.63 -59.2111 -20.9893 -78.6234 -256.681 -86.2152 -126.261 -242.043 PRESSAVG: 911600 -25.9539 35.2371 -13.795 35.2372 -14.1205 -43.6915 -13.7949 -43.6915 36.5676 GPRESSAVG: 911600 -24.751 34.7698 -11.2833 34.6435 -13.8567 -45.8728 -11.683 -39.1767 35.1538 TIMING: 911600 CPU: 2703.6, 0.00296376/step Wall: 2703.6, 0.00296376/step, 3.36584 hours remaining, 206.140625 MB of memory in use. ENERGY: 911600 737.6962 2098.6596 1941.3968 103.5307 -205852.0128 17630.7728 0.0000 0.0000 34016.3045 -149323.6522 297.0728 -183339.9566 -149230.2558 298.8151 -163.6335 -129.0126 557416.6102 -1.1690 -1.1513 PRESSURE: 911800 227.993 45.2697 -33.2682 45.2693 34.3527 -157.393 -33.2676 -157.392 -64.1712 GPRESSURE: 911800 207.428 13.0399 -70.7453 33.1669 53.4971 -54.7378 -46.7667 -134.644 27.9195 PRESSAVG: 911800 81.1591 -23.8719 -27.9335 -23.8718 -41.7906 -52.0782 -27.9335 -52.0782 -29.9522 GPRESSAVG: 911800 79.1878 -24.8482 -31.4653 -24.8226 -41.7097 -52.6377 -30.5586 -52.9719 -28.4239 TIMING: 911800 CPU: 2704.19, 0.00294678/step Wall: 2704.19, 0.00294678/step, 3.3464 hours remaining, 206.140625 MB of memory in use. ENERGY: 911800 725.9439 2031.7217 1950.4300 114.1621 -206374.3699 17860.9139 0.0000 0.0000 34193.2875 -149497.9108 298.6185 -183691.1983 -149404.7626 298.3917 66.0581 96.2814 555385.4784 3.1388 3.0181 PRESSURE: 912000 -209.647 -96.6052 57.9973 -96.6048 -271.747 88.7857 57.9986 88.7854 -76.6155 GPRESSURE: 912000 -217.757 -8.94763 48.8802 -145.689 -209.195 33.1681 48.827 109.949 -41.9155 PRESSAVG: 912000 39.763 35.4752 -30.4058 35.4753 21.4958 9.15027 -30.4058 9.15016 -43.0106 GPRESSAVG: 912000 40.1754 35.6904 -30.2066 36.404 22.1915 10.0195 -28.9674 5.58185 -44.364 TIMING: 912000 CPU: 2704.78, 0.00295506/step Wall: 2704.78, 0.00295506/step, 3.35563 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: 912000 752.7936 2060.1714 1935.8599 106.1667 -205892.6525 17370.3459 0.0000 0.0000 34205.0766 -149462.2384 298.7214 -183667.3149 -149365.7288 297.9696 -186.0028 -156.2893 556459.0524 6.0827 6.0010 PRESSURE: 912200 72.4132 -213.612 3.64257 -213.612 100.082 -52.6699 3.64331 -52.6699 104.613 GPRESSURE: 912200 87.3337 -130.836 -10.6677 -256.08 141.063 -81.1817 37.8839 -42.71 135.687 PRESSAVG: 912200 -28.6998 -79.9848 -49.9602 -79.9848 -9.048 -56.9251 -49.9602 -56.9251 -4.86025 GPRESSAVG: 912200 -28.0812 -78.7253 -49.2233 -79.5865 -10.6389 -59.4896 -49.7947 -55.1444 -4.29808 TIMING: 912200 CPU: 2705.37, 0.00297362/step Wall: 2705.37, 0.00297362/step, 3.37654 hours remaining, 206.140625 MB of memory in use. ENERGY: 912200 757.7897 2013.4803 1978.3318 117.4882 -206343.2560 17885.4256 0.0000 0.0000 34134.9267 -149455.8139 298.1088 -183590.7406 -149361.5496 298.7404 92.3692 121.3611 555939.4728 -14.2027 -14.3394 LDB: ============= START OF LOAD BALANCING ============== 2708.8 LDB: ============== END OF LOAD BALANCING =============== 2708.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2708.8 LDB: ============= START OF LOAD BALANCING ============== 2709.1 LDB: Largest compute 4848 load 0.028315 is 24.0% of average load 0.117821 LDB: Average compute 0.001747 is 1.5% of average load 0.117821 LDB: TIME 2709.1 LOAD: AVG 0.117821 MAX 0.195567 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.449 MB LDB: TIME 2709.1 LOAD: AVG 0.117821 MAX 0.195567 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: TIME 2709.1 LOAD: AVG 0.117821 MAX 0.195567 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2709.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2709.11 PRESSURE: 912400 -130.656 128.835 -38.5262 128.835 -209.429 -38.6915 -38.5257 -38.6908 -202.623 GPRESSURE: 912400 -107.064 70.5733 -51.6428 53.351 -205.78 54.1154 -109.342 -14.1014 -134.132 PRESSAVG: 912400 11.8852 -15.5701 41.2035 -15.57 -29.6914 -20.2588 41.2035 -20.2588 9.06157 GPRESSAVG: 912400 9.85534 -17.6183 41.7421 -15.1122 -30.1841 -19.8143 41.6709 -19.1156 11.3096 TIMING: 912400 CPU: 2705.98, 0.0030205/step Wall: 2705.98, 0.0030205/step, 3.42961 hours remaining, 207.035156 MB of memory in use. ENERGY: 912400 749.3393 2149.1659 1967.3183 114.1055 -206040.5239 17629.4999 0.0000 0.0000 33974.9324 -149456.1627 296.7115 -183431.0950 -149363.1053 298.5795 -180.9024 -148.9921 556831.2353 -2.9149 -3.0064 PRESSURE: 912600 135.481 195.765 -145.403 195.764 -92.9257 11.9538 -145.403 11.9557 -0.465735 GPRESSURE: 912600 191.927 178.745 -156.96 205.496 -67.4971 -70.3987 -123.437 78.7278 18.1208 PRESSAVG: 912600 15.779 -16.9003 -44.9501 -16.9003 -73.0335 -13.0917 -44.9501 -13.0917 20.5812 GPRESSAVG: 912600 17.1359 -15.099 -45.5333 -18.0546 -71.0259 -13.4901 -46.0163 -14.004 17.6642 TIMING: 912600 CPU: 2706.57, 0.00295284/step Wall: 2706.57, 0.00295284/step, 3.35263 hours remaining, 207.035156 MB of memory in use. ENERGY: 912600 755.8311 2111.8654 1925.9020 106.7470 -206092.9660 17825.8991 0.0000 0.0000 34139.0168 -149227.7045 298.1445 -183366.7213 -149138.6668 298.4484 14.0298 47.5170 557089.0734 -12.2244 -12.0753 PRESSURE: 912800 -192.481 -48.8453 -184.891 -48.846 -235.633 7.94258 -184.89 7.942 -227.991 GPRESSURE: 912800 -98.7776 18.9319 -133.477 -75.2844 -198.522 1.10711 -209.236 108.384 -272.457 PRESSAVG: 912800 49.2383 24.5882 -56.6641 24.5883 35.5444 -12.4974 -56.664 -12.4975 -61.8889 GPRESSAVG: 912800 49.515 24.9429 -55.5013 25.5109 34.8252 -14.0143 -56.2724 -9.95017 -61.7445 TIMING: 912800 CPU: 2707.16, 0.00294159/step Wall: 2707.16, 0.00294159/step, 3.33968 hours remaining, 207.035156 MB of memory in use. ENERGY: 912800 761.4369 2051.1786 1943.6258 130.0607 -205650.5362 17369.6172 0.0000 0.0000 34693.1457 -148701.4711 302.9839 -183394.6168 -148599.7749 300.2437 -218.7019 -189.9190 558326.7029 7.6313 7.5319 PRESSURE: 913000 166.594 -51.7499 -80.3627 -51.7507 -41.7198 36.8934 -80.3623 36.8941 -124.231 GPRESSURE: 913000 194.685 19.0629 -44.2419 -72.5048 32.2088 -66.8338 -41.6805 126.289 -125.597 PRESSAVG: 913000 10.3836 -47.8727 -16.3697 -47.8727 26.0254 47.6291 -16.3697 47.629 -8.88923 GPRESSAVG: 913000 10.0089 -48.2789 -17.0108 -47.211 26.1853 48.6531 -15.4803 46.2572 -8.44847 TIMING: 913000 CPU: 2707.75, 0.00296311/step Wall: 2707.75, 0.00296311/step, 3.36396 hours remaining, 207.035156 MB of memory in use. ENERGY: 913000 775.9996 2086.9045 1938.5529 106.4063 -206074.3278 17813.5626 0.0000 0.0000 34648.4264 -148704.4754 302.5933 -183352.9019 -148609.4787 301.3708 0.2143 33.7656 557572.0629 9.1732 9.2486 PRESSURE: 913200 -74.3153 -21.0181 145.926 -21.0178 162.067 -22.7506 145.925 -22.752 -99.1969 GPRESSURE: 913200 -37.8387 -36.2248 199.163 -23.3333 175.848 37.7924 98.7937 -86.7462 -51.7023 PRESSAVG: 913200 2.06611 -42.2958 -11.823 -42.2958 47.2876 26.6609 -11.8229 26.6609 -30.5399 GPRESSAVG: 913200 1.94225 -44.9713 -11.8176 -41.9947 47.2339 29.279 -10.6913 26.4397 -30.8052 TIMING: 913200 CPU: 2708.34, 0.00294032/step Wall: 2708.34, 0.00294032/step, 3.33791 hours remaining, 207.035156 MB of memory in use. ENERGY: 913200 709.8978 2043.2969 1966.8678 105.2053 -205744.0979 17805.3385 0.0000 0.0000 34450.4131 -148663.0784 300.8640 -183113.4916 -148571.3840 300.5682 -3.8150 28.7691 559167.6086 6.2713 6.1236 PRESSURE: 913400 -12.4684 -142.673 -30.7362 -142.674 -203.938 167.33 -30.7371 167.329 -77.866 GPRESSURE: 913400 -4.68764 -194.4 -3.07365 -69.1624 -194.656 105.927 -61.4182 190.376 -4.22199 PRESSAVG: 913400 7.11973 6.36121 -11.2804 6.36128 29.4964 61.5035 -11.2804 61.5036 -27.7017 GPRESSAVG: 913400 6.6943 8.65759 -14.5106 4.9024 29.2485 59.0852 -12.8338 61.3866 -27.1584 TIMING: 913400 CPU: 2708.93, 0.00297268/step Wall: 2708.93, 0.00297268/step, 3.37448 hours remaining, 207.035156 MB of memory in use. ENERGY: 913400 745.7098 2049.1992 1950.1992 114.3373 -205695.7299 17783.8525 0.0000 0.0000 34262.4949 -148789.9370 299.2229 -183052.4319 -148690.5058 300.5085 -98.0908 -67.8551 558707.0351 2.9715 2.9281 PRESSURE: 913600 37.6812 -90.7759 95.0528 -90.7769 -136.493 -67.1187 95.0528 -67.119 -378.448 GPRESSURE: 913600 153.123 -66.2228 -15.1792 -134.471 -189.03 -99.3689 81.3464 -55.9521 -348.394 PRESSAVG: 913600 -41.6455 0.0783756 28.9068 0.0783493 4.18779 -17.9594 28.9068 -17.9593 45.3566 GPRESSAVG: 913600 -42.3539 -1.70276 31.4181 1.11027 3.94072 -17.5034 30.2857 -17.5997 46.3805 TIMING: 913600 CPU: 2709.52, 0.00296436/step Wall: 2709.52, 0.00296436/step, 3.36487 hours remaining, 207.035156 MB of memory in use. ENERGY: 913600 755.4651 2086.9342 1966.3924 107.6866 -205784.4989 17599.7859 0.0000 0.0000 34533.1583 -148735.0764 301.5867 -183268.2347 -148636.2380 300.2389 -159.0866 -128.1003 559406.8864 2.6330 2.6558 PRESSURE: 913800 -99.16 57.6177 142.896 57.617 -116.428 -85.6391 142.897 -85.6377 -126.167 GPRESSURE: 913800 0.319566 56.4907 116.743 78.0811 -167.184 -78.4817 167.731 -119.426 -81.3423 PRESSAVG: 913800 21.7134 -44.1368 23.1199 -44.1368 -33.8042 20.7918 23.12 20.7917 29.3798 GPRESSAVG: 913800 21.639 -41.7068 23.2917 -45.0254 -33.4515 17.6763 21.67 20.4321 28.3754 TIMING: 913800 CPU: 2710.12, 0.002956/step Wall: 2710.12, 0.002956/step, 3.35522 hours remaining, 207.035156 MB of memory in use. ENERGY: 913800 706.5593 2144.0495 1969.1448 115.9469 -205600.0746 17519.0035 0.0000 0.0000 34356.2753 -148789.0953 300.0419 -183145.3706 -148687.1336 300.9569 -113.9184 -82.7355 559610.4434 5.7630 5.5210 PRESSURE: 914000 -52.4543 -77.2196 -15.5491 -77.2206 151.907 -45.1161 -15.5477 -45.1152 154.472 GPRESSURE: 914000 -0.481129 -52.3195 -23.3011 -97.3247 195.001 -4.65411 0.431166 -65.831 168.177 PRESSAVG: 914000 -14.4142 11.0762 25.534 11.0763 -26.3032 -21.8818 25.534 -21.8817 18.0525 GPRESSAVG: 914000 -14.7801 12.1872 24.5876 11.1854 -25.885 -17.4873 26.0454 -22.6065 18.1363 TIMING: 914000 CPU: 2710.71, 0.00295/step Wall: 2710.71, 0.00295/step, 3.34825 hours remaining, 207.035156 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: 914000 737.7205 2083.8398 1931.7346 104.2118 -206049.0767 17879.6532 0.0000 0.0000 34412.6511 -148899.2658 300.5342 -183311.9168 -148799.8883 300.2407 84.6418 120.8990 556848.5615 -7.5550 -7.5096 PRESSURE: 914200 -82.3333 -27.6009 -133.919 -27.601 -51.2189 -27.5643 -133.92 -27.5619 82.7541 GPRESSURE: 914200 -14.0147 -73.6743 -61.906 -47.1866 26.6023 -7.65584 -100.829 -40.3811 33.8667 PRESSAVG: 914200 -53.8831 -24.5198 -27.3052 -24.5197 4.30033 -55.0499 -27.3052 -55.0498 79.4339 GPRESSAVG: 914200 -53.4343 -26.0872 -26.2911 -23.0566 3.46121 -53.8795 -27.5118 -54.8448 79.5159 TIMING: 914200 CPU: 2711.29, 0.00294547/step Wall: 2711.29, 0.00294547/step, 3.34295 hours remaining, 207.035156 MB of memory in use. ENERGY: 914200 736.8136 2120.1128 1924.0254 107.7028 -205849.9468 17605.3483 0.0000 0.0000 34314.1460 -149041.7979 299.6740 -183355.9439 -148933.5711 299.8460 -16.9327 15.4848 556469.0370 9.9504 9.8476 PRESSURE: 914400 -192.81 22.5598 124.548 22.5592 155.053 -106.721 124.548 -106.721 -88.1165 GPRESSURE: 914400 -166.95 4.24356 172.894 60.8001 144.82 -87.241 110.834 -100.708 -20.0651 PRESSAVG: 914400 -7.05349 -0.660055 -3.52474 -0.660115 -43.7967 -23.6786 -3.52472 -23.6785 33.7465 GPRESSAVG: 914400 -6.25625 -1.2235 -3.63234 -2.17149 -43.9444 -25.8633 -3.3216 -23.6381 32.9012 TIMING: 914400 CPU: 2711.89, 0.0029542/step Wall: 2711.89, 0.0029542/step, 3.35269 hours remaining, 207.035156 MB of memory in use. ENERGY: 914400 715.3256 2168.2886 1957.5608 128.5792 -205784.3849 17564.0926 0.0000 0.0000 34216.1532 -149034.3851 298.8182 -183250.5382 -148936.2928 299.5348 -41.9579 -14.0651 556449.0469 -5.7012 -5.7665 PRESSURE: 914600 245.756 158.727 10.7128 158.728 -114.302 -207.146 10.7118 -207.145 134.029 GPRESSURE: 914600 303.514 152.805 33.0864 175.561 -109.726 -79.986 82.4834 -152.431 166.208 PRESSAVG: 914600 -32.576 22.3137 34.1384 22.3137 -24.1235 -68.728 34.1384 -68.7281 20.6255 GPRESSAVG: 914600 -33.2192 22.9642 33.4498 20.8482 -23.9301 -69.9943 33.1681 -67.3206 21.2969 TIMING: 914600 CPU: 2712.48, 0.00295203/step Wall: 2712.48, 0.00295203/step, 3.35007 hours remaining, 207.035156 MB of memory in use. ENERGY: 914600 738.7175 2164.0436 1938.4586 119.6786 -206200.8029 17808.7006 0.0000 0.0000 34563.9756 -148867.2284 301.8558 -183431.2040 -148772.3458 299.5247 88.4943 119.9985 557298.2890 -12.0247 -11.9508 PRESSURE: 914800 16.1519 -125.982 98.5604 -125.982 66.5757 76.7913 98.5591 76.7936 121.054 GPRESSURE: 914800 13.59 -121.778 94.851 -55.3363 121.743 102.829 71.3565 -31.8904 164.197 PRESSAVG: 914800 5.84452 -0.509464 28.2121 -0.509462 -56.6187 -17.3928 28.212 -17.3927 59.4748 GPRESSAVG: 914800 5.97588 -1.0572 29.6296 0.796636 -56.7225 -14.7622 27.0361 -20.2532 59.1241 TIMING: 914800 CPU: 2713.07, 0.00297135/step Wall: 2713.07, 0.00297135/step, 3.37182 hours remaining, 207.035156 MB of memory in use. ENERGY: 914800 775.8528 2078.0255 1928.7625 120.5793 -206167.2776 17812.2910 0.0000 0.0000 34482.9745 -148968.7919 301.1484 -183451.7664 -148880.5500 299.2167 67.9271 99.8431 556747.8715 2.9002 2.7925 PRESSURE: 915000 -190.725 -40.8455 108.101 -40.8468 57.6862 -99.7012 108.101 -99.7024 94.8435 GPRESSURE: 915000 -124.271 -54.961 125.04 -16.5385 40.9475 9.11517 76.5846 -183.626 138.385 PRESSAVG: 915000 -7.45599 -9.64503 25.9219 -9.64529 11.9455 -8.23432 25.9218 -8.23427 10.1156 GPRESSAVG: 915000 -8.17692 -10.4982 24.4551 -6.56528 12.5759 -8.16354 28.6898 -9.08427 9.66269 TIMING: 915000 CPU: 2713.66, 0.00296849/step Wall: 2713.66, 0.00296849/step, 3.36841 hours remaining, 207.035156 MB of memory in use. ENERGY: 915000 778.3194 2112.2556 1964.0700 108.3915 -206009.6622 17724.2399 0.0000 0.0000 34216.6326 -149105.7532 298.8224 -183322.3858 -149007.7880 299.5265 -12.7317 18.3537 557502.3492 4.8684 4.6872 PRESSURE: 915200 250.88 -21.7295 49.5523 -21.7303 -80.4142 51.1305 49.5531 51.1302 9.15234 GPRESSURE: 915200 226.066 60.8725 87.3587 -81.768 14.4314 -3.59851 80.2288 24.5448 46.4506 PRESSAVG: 915200 42.114 -5.28337 4.11146 -5.2833 -42.8335 -66.0242 4.1115 -66.0241 23.2077 GPRESSAVG: 915200 42.5689 -3.33268 6.37174 -7.40091 -43.6025 -66.7136 3.99172 -65.7282 23.24 TIMING: 915200 CPU: 2714.26, 0.0029571/step Wall: 2714.26, 0.0029571/step, 3.35532 hours remaining, 207.035156 MB of memory in use. ENERGY: 915200 731.0197 2060.4534 1947.0715 119.1966 -206330.6517 18057.2437 0.0000 0.0000 34282.7451 -149132.9217 299.3997 -183415.6668 -149031.8736 299.7521 59.8728 95.6495 558625.7896 7.4960 7.4021 PRESSURE: 915400 40.2434 147.125 35.7801 147.125 285.515 125.231 35.781 125.231 41.7238 GPRESSURE: 915400 108.355 196.767 41.896 98.0338 372.884 91.6943 133.937 235.667 -9.84252 PRESSAVG: 915400 -14.3628 44.9391 -1.17917 44.9391 38.5231 9.48237 -1.17925 9.48237 -25.167 GPRESSAVG: 915400 -14.57 43.5626 -5.12376 45.7355 39.6701 10.5219 -0.836817 11.3385 -26.2893 TIMING: 915400 CPU: 2714.85, 0.00296544/step Wall: 2714.85, 0.00296544/step, 3.36462 hours remaining, 207.035156 MB of memory in use. ENERGY: 915400 719.7535 2093.3688 1973.5145 109.7674 -206216.1306 18033.5250 0.0000 0.0000 34295.5646 -148990.6369 299.5117 -183286.2014 -148898.4787 299.1977 122.4940 157.1323 558003.2757 -0.3356 -0.3964 PRESSURE: 915600 81.9258 111.57 31.6554 111.569 54.2563 -14.4786 31.6555 -14.4806 8.19182 GPRESSURE: 915600 112.276 144.494 13.4652 14.4286 61.7151 72.8166 20.2596 -84.1337 58.5429 PRESSAVG: 915600 -18.331 16.561 -69.2603 16.561 45.3691 -21.805 -69.2602 -21.8049 5.15759 GPRESSAVG: 915600 -20.609 17.8812 -66.2349 16.5111 46.4072 -22.6826 -71.2477 -22.5469 6.22626 TIMING: 915600 CPU: 2715.44, 0.00297529/step Wall: 2715.44, 0.00297529/step, 3.37563 hours remaining, 207.035156 MB of memory in use. ENERGY: 915600 730.7657 2127.1296 1935.2447 122.3653 -206238.2989 17920.8462 0.0000 0.0000 34326.8092 -149075.1382 299.7846 -183401.9475 -148985.6370 299.7120 48.1246 77.5112 558805.0623 10.7319 10.6748 PRESSURE: 915800 51.0934 -21.2585 -56.9024 -21.2585 114.695 -76.1019 -56.9024 -76.1028 -27.732 GPRESSURE: 915800 84.89 -7.30871 -112.424 -60.5042 144.109 -81.7772 -17.2774 -75.6879 5.82569 PRESSAVG: 915800 -32.6259 16.7826 -38.0095 16.7826 51.9295 -25.9976 -38.0094 -25.9975 -23.2746 GPRESSAVG: 915800 -30.7898 17.0369 -40.3048 15.133 49.9524 -26.0016 -36.3326 -23.9478 -23.0174 TIMING: 915800 CPU: 2716.04, 0.00297553/step Wall: 2716.04, 0.00297553/step, 3.37574 hours remaining, 207.035156 MB of memory in use. ENERGY: 915800 762.6334 2110.9224 1945.2653 120.8056 -206123.3119 17737.7348 0.0000 0.0000 34462.6663 -148983.2841 300.9710 -183445.9504 -148891.8201 300.0191 46.0189 78.2750 556948.6272 -1.3237 -1.2849 PRESSURE: 916000 -48.2665 20.4847 84.9775 20.4846 -332.584 -125.07 84.9784 -125.069 -385.511 GPRESSURE: 916000 -74.2493 135.664 92.2681 -86.5652 -240.342 -102.016 115.303 -53.038 -340.56 PRESSAVG: 916000 30.2028 12.7324 20.1993 12.7324 26.0632 13.0162 20.1993 13.0161 2.95813 GPRESSAVG: 916000 29.8766 13.2521 20.6424 12.8034 27.3501 14.0961 19.6762 13.0401 1.72263 TIMING: 916000 CPU: 2716.63, 0.00295467/step Wall: 2716.63, 0.00295467/step, 3.35191 hours remaining, 207.035156 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: 916000 766.8737 2057.9092 1950.2778 111.2576 -205641.9812 17629.0902 0.0000 0.0000 34359.2888 -148767.2840 300.0682 -183126.5728 -148663.5051 300.0120 -255.4537 -218.3840 559152.8516 19.7414 19.6498 PRESSURE: 916200 -214.721 -93.6544 26.509 -93.6543 83.7653 139.041 26.5079 139.039 20.5366 GPRESSURE: 916200 -185.97 -56.8884 -18.3602 -106.221 112.202 29.147 -32.3792 110.931 64.7195 PRESSAVG: 916200 -32.3701 -67.9988 29.8063 -67.9988 20.1047 -12.916 29.8063 -12.9161 -14.0724 GPRESSAVG: 916200 -32.1331 -69.1665 31.4937 -66.814 19.8458 -14.2393 29.5829 -15.8297 -13.3223 TIMING: 916200 CPU: 2717.22, 0.00296157/step Wall: 2717.22, 0.00296157/step, 3.35958 hours remaining, 207.035156 MB of memory in use. ENERGY: 916200 757.1489 2139.2416 1960.7074 104.6981 -205613.9980 17532.1123 0.0000 0.0000 34217.7624 -148902.3273 298.8322 -183120.0897 -148808.2910 300.1721 -36.8063 -3.0162 558552.6686 -8.7793 -8.5365 LDB: ============= START OF LOAD BALANCING ============== 2720.65 LDB: ============== END OF LOAD BALANCING =============== 2720.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2720.65 LDB: ============= START OF LOAD BALANCING ============== 2720.94 LDB: Largest compute 4847 load 0.029697 is 25.2% of average load 0.117774 LDB: Average compute 0.001746 is 1.5% of average load 0.117774 LDB: TIME 2720.95 LOAD: AVG 0.117774 MAX 0.197108 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 2720.95 LOAD: AVG 0.117774 MAX 0.197108 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.312 MB LDB: TIME 2720.95 LOAD: AVG 0.117774 MAX 0.197108 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.312 MB LDB: ============== END OF LOAD BALANCING =============== 2720.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2720.95 PRESSURE: 916400 250.317 -49.2745 85.5568 -49.2733 -98.3218 -142.294 85.5557 -142.295 -153.074 GPRESSURE: 916400 245.325 -68.0299 154.87 -45.1811 -69.0739 -94.2384 5.32469 -52.3375 -76.5365 PRESSAVG: 916400 44.7122 -8.28343 51.9818 -8.28356 -5.48542 -5.40243 51.9818 -5.4024 -37.4816 GPRESSAVG: 916400 44.817 -9.13623 51.4278 -6.51126 -7.03041 -5.11897 51.515 -4.40693 -35.9738 TIMING: 916400 CPU: 2717.82, 0.0030035/step Wall: 2717.82, 0.0030035/step, 3.40697 hours remaining, 206.511719 MB of memory in use. ENERGY: 916400 738.2416 2088.4850 1968.4642 122.6616 -205931.6030 17814.7344 0.0000 0.0000 34050.8561 -149148.1601 297.3746 -183199.0162 -149050.8177 299.2071 -0.3596 33.2383 557864.5279 0.5817 0.6043 PRESSURE: 916600 136.107 -6.50728 -0.0246875 -6.50822 63.5808 -28.3401 -0.0242512 -28.3405 -100.081 GPRESSURE: 916600 185.359 92.2653 21.7799 -75.2323 81.2104 -13.464 -19.0066 -27.4466 -60.4503 PRESSAVG: 916600 7.49068 -39.9608 29.987 -39.9608 53.1806 -17.2225 29.987 -17.2224 -76.0082 GPRESSAVG: 916600 7.34101 -37.1403 29.7933 -43.0725 53.2371 -17.4944 30.3574 -17.256 -75.9636 TIMING: 916600 CPU: 2718.41, 0.00292506/step Wall: 2718.41, 0.00292506/step, 3.31783 hours remaining, 206.714844 MB of memory in use. ENERGY: 916600 775.1473 2079.6139 1973.5169 104.8424 -206157.7559 17869.9735 0.0000 0.0000 34195.8249 -149158.8371 298.6406 -183354.6621 -149058.8234 298.2740 33.2025 68.7062 556344.7693 -5.1123 -5.1285 PRESSURE: 916800 -103.496 -196.506 52.9146 -196.506 -61.1552 130.262 52.914 130.261 -356.69 GPRESSURE: 916800 -65.5499 -205.861 87.5812 -240.355 -45.311 51.6946 146.955 46.5536 -332.089 PRESSAVG: 916800 52.1051 -21.9319 15.745 -21.9319 88.8911 81.2267 15.745 81.2268 -71.8332 GPRESSAVG: 916800 52.3016 -23.3036 13.6669 -20.1997 90.0643 78.1614 17.5615 81.834 -72.6907 TIMING: 916800 CPU: 2719, 0.00294276/step Wall: 2719, 0.00294276/step, 3.33775 hours remaining, 206.714844 MB of memory in use. ENERGY: 916800 763.5192 2121.2359 1945.4402 109.4546 -205974.7811 17551.3302 0.0000 0.0000 34220.3256 -149263.4754 298.8546 -183483.8010 -149171.5719 299.1118 -173.7805 -147.6499 557699.3283 23.0543 23.2251 PRESSURE: 917000 -74.992 73.4369 -55.7131 73.4366 -59.3659 14.095 -55.7112 14.0969 108.15 GPRESSURE: 917000 -72.7011 58.4038 -78.3716 70.2244 -1.55613 104.307 -108.324 35.2398 143.869 PRESSAVG: 917000 -14.3956 -95.3234 10.5156 -95.3234 49.1262 -6.70726 10.5156 -6.70737 -22.445 GPRESSAVG: 917000 -13.7823 -95.8527 9.75909 -96.5312 48.5906 -2.95295 9.16753 -6.36683 -22.6316 TIMING: 917000 CPU: 2719.58, 0.00294261/step Wall: 2719.58, 0.00294261/step, 3.33741 hours remaining, 206.714844 MB of memory in use. ENERGY: 917000 719.2451 2124.4342 1945.8434 115.7866 -206214.4791 17782.8105 0.0000 0.0000 34233.9524 -149292.4069 298.9736 -183526.3593 -149197.5983 299.5039 -8.7361 23.2038 557709.6783 4.0952 4.0589 PRESSURE: 917200 -296.778 -106.752 6.18385 -106.752 43.1036 160.704 6.18311 160.703 -384.392 GPRESSURE: 917200 -306.816 -21.9507 -28.4867 -72.1816 87.6549 194.448 -11.7393 88.331 -320.08 PRESSAVG: 917200 -18.771 -20.0696 46.5417 -20.0698 35.2803 6.15989 46.5417 6.15986 -7.56496 GPRESSAVG: 917200 -19.0587 -20.7144 46.6549 -18.1415 36.1432 7.6618 47.1852 4.85762 -8.2908 TIMING: 917200 CPU: 2720.17, 0.00295005/step Wall: 2720.17, 0.00295005/step, 3.34568 hours remaining, 206.714844 MB of memory in use. ENERGY: 917200 749.8372 2146.4993 1945.2636 107.4664 -206048.3947 17377.2854 0.0000 0.0000 34321.2446 -149400.7983 299.7360 -183722.0429 -149306.7856 298.7928 -212.6886 -179.7468 557039.5435 2.9815 2.9312 PRESSURE: 917400 -267.057 -78.2109 -12.6318 -78.21 -39.2065 116.641 -12.6311 116.641 -45.5414 GPRESSURE: 917400 -220.676 -64.4359 -24.5365 -31.4373 -36.9477 89.3113 8.31951 189.246 6.24721 PRESSAVG: 917400 7.06895 -22.4486 25.2354 -22.4487 29.0327 17.7092 25.2354 17.7092 -47.6361 GPRESSAVG: 917400 5.62182 -21.5806 25.63 -23.4296 28.0807 15.4022 24.2392 17.851 -45.2078 TIMING: 917400 CPU: 2720.77, 0.00297204/step Wall: 2720.77, 0.00297204/step, 3.37046 hours remaining, 206.714844 MB of memory in use. ENERGY: 917400 749.9929 2104.7071 1954.9267 126.9887 -206481.1728 17763.5565 0.0000 0.0000 34302.3096 -149478.6914 299.5706 -183781.0010 -149380.3873 298.7536 -117.2683 -83.7923 557417.3362 -3.8448 -3.8351 PRESSURE: 917600 -142.319 71.7489 1.16349 71.749 -212.276 -34.0497 1.1634 -34.0506 96.5309 GPRESSURE: 917600 -97.7167 35.9644 0.170727 78.7699 -215.43 -89.3708 30.0212 -149.227 152.731 PRESSAVG: 917600 -4.64137 -13.4163 -0.357657 -13.4162 0.266973 -48.7485 -0.357764 -48.7485 -19.3403 GPRESSAVG: 917600 -4.84976 -13.6261 2.6098 -14.5176 1.22297 -49.457 -0.316259 -48.3894 -20.2331 TIMING: 917600 CPU: 2721.36, 0.00297411/step Wall: 2721.36, 0.00297411/step, 3.37264 hours remaining, 206.714844 MB of memory in use. ENERGY: 917600 749.2368 2050.1286 1943.9206 107.7227 -206410.4900 17733.0016 0.0000 0.0000 34278.1370 -149548.3426 299.3595 -183826.4797 -149451.5141 298.3968 -86.0215 -53.4717 557299.4379 -7.9049 -7.9533 PRESSURE: 917800 106.204 -86.5482 114.715 -86.549 -50.8255 12.7428 114.715 12.7437 139.373 GPRESSURE: 917800 140.368 -90.0265 55.2446 -67.6115 -15.7714 50.2578 69.6804 -50.8205 184.631 PRESSAVG: 917800 13.8473 -1.704 79.8959 -1.70409 -3.33688 -9.10446 79.896 -9.10433 9.23026 GPRESSAVG: 917800 14.7184 -1.15273 78.1337 -3.28008 -4.52849 -8.10972 79.3935 -10.9754 9.53808 TIMING: 917800 CPU: 2721.96, 0.00297142/step Wall: 2721.96, 0.00297142/step, 3.36943 hours remaining, 206.714844 MB of memory in use. ENERGY: 917800 762.7835 2093.4483 1956.5359 117.0099 -206712.7919 17989.1282 0.0000 0.0000 34329.9948 -149463.8913 299.8124 -183793.8862 -149368.3159 299.1139 64.9174 103.0758 555641.6986 6.5802 6.5760 PRESSURE: 918000 -145.383 59.4792 21.2274 59.4793 28.564 102.189 21.2279 102.188 56.9022 GPRESSURE: 918000 -113.086 67.3882 10.8883 20.784 78.158 95.1781 94.59 72.9538 78.3707 PRESSAVG: 918000 -95.0657 -26.9859 -14.681 -26.9859 -37.9105 1.68436 -14.6809 1.68442 111.646 GPRESSAVG: 918000 -96.2323 -30.2124 -15.6971 -23.078 -36.4489 -1.00265 -12.6318 4.56601 112.285 TIMING: 918000 CPU: 2722.55, 0.00297171/step Wall: 2722.55, 0.00297171/step, 3.36959 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: 918000 765.7695 2134.3430 1957.5715 115.3454 -206376.4811 17838.5801 0.0000 0.0000 34130.5088 -149434.3627 298.0702 -183564.8715 -149332.2656 298.8020 -19.9722 14.4808 557478.9973 -7.1100 -6.7987 PRESSURE: 918200 -213.461 -148.322 63.8429 -148.322 136.07 15.9648 63.844 15.9632 -285.153 GPRESSURE: 918200 -99.3329 -101.837 123.299 -158.066 120.991 -43.2671 44.0289 14.5857 -273.76 PRESSAVG: 918200 15.5598 -55.1211 6.79985 -55.1212 -5.59579 -54.8681 6.79986 -54.8681 -21.7298 GPRESSAVG: 918200 16.3157 -52.9851 8.27656 -59.5839 -5.94983 -52.4743 6.92864 -55.8385 -22.1751 TIMING: 918200 CPU: 2723.15, 0.00297821/step Wall: 2723.15, 0.00297821/step, 3.37679 hours remaining, 206.714844 MB of memory in use. ENERGY: 918200 733.5386 2127.7949 1972.2435 110.2677 -206471.6317 17810.4715 0.0000 0.0000 34339.5226 -149377.7927 299.8956 -183717.3154 -149281.5735 298.6094 -120.8479 -84.0339 558823.1141 -3.9219 -3.9364 PRESSURE: 918400 -188.17 26.576 44.1544 26.5767 -23.1946 -72.9571 44.154 -72.9562 -396.605 GPRESSURE: 918400 -139.196 24.8191 88.7838 37.5749 -2.69274 -95.1479 -27.8907 -0.520286 -362.103 PRESSAVG: 918400 13.606 -75.2746 30.3569 -75.2746 -8.44113 33.9883 30.357 33.9883 -17.546 GPRESSAVG: 918400 14.5177 -75.4299 29.4488 -72.6315 -8.62812 34.6725 30.7611 34.7906 -17.7441 TIMING: 918400 CPU: 2723.74, 0.00295703/step Wall: 2723.74, 0.00295703/step, 3.35262 hours remaining, 206.714844 MB of memory in use. ENERGY: 918400 754.4279 2090.9969 1953.0730 109.2242 -206328.3676 17697.4442 0.0000 0.0000 34267.7417 -149455.4597 299.2687 -183723.2014 -149353.8247 298.2325 -202.6567 -167.9970 558807.7881 -4.1270 -3.9515 PRESSURE: 918600 25.2248 37.8163 -36.3608 37.8165 133.232 -53.5457 -36.3615 -53.5457 143.5 GPRESSURE: 918600 54.6543 67.3022 27.6758 23.8322 222.147 -69.484 -42.1851 -51.7303 149.312 PRESSAVG: 918600 -62.8631 0.830843 15.3884 0.830821 32.1188 19.6148 15.3884 19.6149 -13.8117 GPRESSAVG: 918600 -63.744 0.620276 15.7112 -1.42979 33.3186 19.137 13.5444 18.3961 -14.1754 TIMING: 918600 CPU: 2724.33, 0.00293954/step Wall: 2724.33, 0.00293954/step, 3.33263 hours remaining, 206.714844 MB of memory in use. ENERGY: 918600 706.9787 2124.9871 1926.3892 104.8125 -206670.0026 18151.3235 0.0000 0.0000 34140.3502 -149515.1614 298.1562 -183655.5117 -149422.6354 298.5974 100.6524 142.0380 557186.8147 -14.8520 -14.8669 PRESSURE: 918800 23.5952 -31.4582 143.473 -31.4573 34.4286 -16.7831 143.474 -16.7838 71.6195 GPRESSURE: 918800 50.102 -39.9027 53.4693 82.0608 49.6601 -99.8343 109.288 17.0137 124.577 PRESSAVG: 918800 -35.9482 -14.8864 3.83551 -14.8864 27.667 0.231396 3.83549 0.231428 -12.2823 GPRESSAVG: 918800 -36.0843 -14.0177 3.04559 -13.7601 25.8236 -0.667337 4.60835 -0.33439 -10.8521 TIMING: 918800 CPU: 2724.92, 0.00293871/step Wall: 2724.92, 0.00293871/step, 3.33152 hours remaining, 206.714844 MB of memory in use. ENERGY: 918800 723.3217 2085.3947 1947.1121 104.3891 -206294.1034 17845.5066 0.0000 0.0000 34062.5620 -149525.8172 297.4768 -183588.3792 -149427.4408 297.6888 43.2144 74.7798 556464.1966 -6.8545 -7.0376 PRESSURE: 919000 -284.404 10.0554 7.48347 10.056 -282.805 -118.638 7.4829 -118.638 24.6849 GPRESSURE: 919000 -247.173 22.5505 73.0135 42.0298 -256.834 -62.5097 -25.2239 -148.731 58.8876 PRESSAVG: 919000 -52.7281 2.57096 76.5338 2.57107 16.2631 45.553 76.5338 45.5531 59.3294 GPRESSAVG: 919000 -52.6319 2.59946 77.0183 1.87255 16.9651 47.8229 75.3648 44.1973 57.7992 TIMING: 919000 CPU: 2725.51, 0.00294931/step Wall: 2725.51, 0.00294931/step, 3.34337 hours remaining, 206.714844 MB of memory in use. ENERGY: 919000 727.0445 2142.4288 1940.7921 113.5323 -206316.2467 17630.6852 0.0000 0.0000 34357.8396 -149403.9243 300.0556 -183761.7639 -149311.1098 298.7509 -180.8415 -148.3732 556453.2902 7.6215 7.3774 PRESSURE: 919200 -176.87 -77.9417 -139.329 -77.9422 -81.3233 50.4749 -139.328 50.4744 -367.699 GPRESSURE: 919200 -81.5266 31.3205 -169.97 -86.1536 -79.2069 82.457 -72.0795 52.4058 -375.416 PRESSAVG: 919200 31.641 -41.4493 53.0197 -41.4493 13.1221 15.1169 53.0197 15.1169 -35.4678 GPRESSAVG: 919200 32.0584 -42.6556 52.426 -40.3004 11.6277 15.0845 53.4959 15.5648 -34.444 TIMING: 919200 CPU: 2726.09, 0.00294817/step Wall: 2726.09, 0.00294817/step, 3.34191 hours remaining, 206.714844 MB of memory in use. ENERGY: 919200 763.7009 2078.5996 1947.2561 115.1023 -205966.6046 17401.5122 0.0000 0.0000 34289.8908 -149370.5427 299.4621 -183660.4335 -149279.1425 298.9214 -208.6305 -178.7166 555994.8685 3.0984 3.0807 PRESSURE: 919400 97.9557 52.0646 -153.272 52.0645 180.489 24.1436 -153.273 24.1423 -13.8558 GPRESSURE: 919400 139.054 17.0952 -151.134 80.6221 241.655 85.8328 -171.432 19.7354 -13.7419 PRESSAVG: 919400 30.3146 -64.7912 -11.0468 -64.7912 6.60276 23.2576 -11.0469 23.2577 15.2432 GPRESSAVG: 919400 29.2707 -62.6135 -8.80833 -65.9017 8.51437 21.1963 -12.4221 24.6748 14.5481 TIMING: 919400 CPU: 2726.68, 0.00294302/step Wall: 2726.68, 0.00294302/step, 3.33591 hours remaining, 206.714844 MB of memory in use. ENERGY: 919400 732.9840 2138.4113 1954.2639 115.9349 -206385.3202 17841.9288 0.0000 0.0000 34363.6140 -149238.1833 300.1060 -183601.7973 -149138.3503 299.0571 88.1962 122.3224 556686.6862 17.3869 17.4444 PRESSURE: 919600 -70.4073 -94.9076 -25.6972 -94.9093 33.3794 72.9218 -25.6979 72.9216 -51.6449 GPRESSURE: 919600 -3.75608 -161.109 -62.5754 -36.487 9.84602 76.3235 47.6237 139.456 8.31203 PRESSAVG: 919600 18.7181 -31.7125 -33.8989 -31.7125 -61.8638 28.9427 -33.8989 28.9427 67.5498 GPRESSAVG: 919600 19.1661 -32.7871 -33.8938 -29.8154 -63.1065 30.5718 -34.3519 27.881 67.7621 TIMING: 919600 CPU: 2727.27, 0.00295693/step Wall: 2727.27, 0.00295693/step, 3.35152 hours remaining, 206.714844 MB of memory in use. ENERGY: 919600 728.3236 2049.4134 1920.6168 122.8124 -206310.7094 17675.2613 0.0000 0.0000 34379.1377 -149435.1442 300.2416 -183814.2819 -149332.7954 298.8604 -29.5576 4.8007 555336.4474 8.1347 7.9406 PRESSURE: 919800 238.682 -34.7589 93.7273 -34.7591 -143.848 -113.33 93.7259 -113.329 210.173 GPRESSURE: 919800 169.815 -17.1503 129.388 -138.95 -17.641 -98.5312 105.198 -72.2516 242.294 PRESSAVG: 919800 -24.0528 -44.3099 -4.43034 -44.31 -25.2934 12.3815 -4.4303 12.3816 4.63976 GPRESSAVG: 919800 -25.0743 -44.1314 -6.29155 -44.0338 -24.4362 10.7087 -3.0209 14.4017 4.40219 TIMING: 919800 CPU: 2727.87, 0.00296109/step Wall: 2727.87, 0.00296109/step, 3.35607 hours remaining, 206.714844 MB of memory in use. ENERGY: 919800 763.8826 2103.5399 1964.9786 118.9065 -206334.7597 17912.5175 0.0000 0.0000 34166.9527 -149303.9817 298.3885 -183470.9345 -149207.8746 299.6351 101.6689 131.4891 557016.9113 -14.9021 -15.0361 PRESSURE: 920000 4.15926 20.4973 48.0976 20.4987 -57.6719 110.415 48.0973 110.414 54.6475 GPRESSURE: 920000 34.3143 91.3204 105.532 -78.4697 -48.6219 247.015 66.4898 -67.6697 110.439 PRESSAVG: 920000 20.3345 -13.8754 7.10201 -13.8753 -25.4105 -55.6593 7.10194 -55.6592 31.6346 GPRESSAVG: 920000 21.2749 -12.4124 7.35588 -16.3651 -25.6883 -55.5459 6.57192 -54.482 30.7596 TIMING: 920000 CPU: 2728.46, 0.0029511/step Wall: 2728.46, 0.0029511/step, 3.34458 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: 920000 752.7336 2110.6352 1952.1387 99.9399 -206516.1868 17866.6356 0.0000 0.0000 34379.9142 -149354.1896 300.2483 -183734.1037 -149253.7809 299.0185 0.3783 32.0437 555351.0406 8.8529 8.7821 PRESSURE: 920200 170.779 169.185 -27.4491 169.185 -36.4024 25.3033 -27.45 25.3027 83.0058 GPRESSURE: 920200 190.94 96.7717 34.4926 121.155 -3.70651 98.8167 -51.2043 -11.8321 111.281 PRESSAVG: 920200 1.44353 -16.8195 -8.47974 -16.8195 -24.5789 38.9656 -8.47967 38.9655 42.6417 GPRESSAVG: 920200 -0.10985 -18.1341 -8.69954 -14.1222 -24.5487 40.0696 -8.82216 36.3933 44.0956 TIMING: 920200 CPU: 2729.05, 0.00295998/step Wall: 2729.05, 0.00295998/step, 3.35448 hours remaining, 206.714844 MB of memory in use. ENERGY: 920200 763.1090 2106.3027 1932.2823 131.4596 -206253.0375 17876.6820 0.0000 0.0000 34224.9836 -149218.2184 298.8953 -183443.2020 -149115.0585 298.9069 72.4607 99.5049 556726.6313 6.5021 6.4790 LDB: ============= START OF LOAD BALANCING ============== 2732.48 LDB: ============== END OF LOAD BALANCING =============== 2732.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2732.48 LDB: ============= START OF LOAD BALANCING ============== 2732.78 LDB: Largest compute 4848 load 0.030131 is 25.6% of average load 0.117857 LDB: Average compute 0.001753 is 1.5% of average load 0.117857 LDB: TIME 2732.78 LOAD: AVG 0.117857 MAX 0.199331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 2732.78 LOAD: AVG 0.117857 MAX 0.199331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: TIME 2732.78 LOAD: AVG 0.117857 MAX 0.199331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2732.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2732.79 PRESSURE: 920400 52.3778 142.601 -27.7707 142.602 11.3145 -73.8873 -27.7691 -73.8878 -79.6391 GPRESSURE: 920400 67.1094 116.547 -1.64958 120.352 106.238 -55.8154 -25.025 -96.7961 -75.3893 PRESSAVG: 920400 -5.67602 31.7604 80.1431 31.7605 46.5887 -21.9293 80.1431 -21.9293 -25.8278 GPRESSAVG: 920400 -4.87155 31.2377 80.251 30.9809 46.6474 -18.5833 80.5194 -22.8924 -26.2007 TIMING: 920400 CPU: 2729.66, 0.00304851/step Wall: 2729.66, 0.00304851/step, 3.45463 hours remaining, 205.285156 MB of memory in use. ENERGY: 920400 702.9091 2067.2132 1958.8527 116.2600 -205666.8247 17596.5694 0.0000 0.0000 34010.5168 -149214.5036 297.0223 -183225.0203 -149117.1848 298.8874 -5.3156 32.6526 557127.1125 5.0283 5.1917 PRESSURE: 920600 -104.271 -108.807 -64.9097 -108.807 -206.402 140.134 -64.9086 140.133 53.3178 GPRESSURE: 920600 -28.7025 -78.2766 -17.3929 -82.4123 -158.622 112.024 -110.178 172.602 18.8392 PRESSAVG: 920600 9.67931 30.7526 2.36841 30.7526 -27.1517 -28.2045 2.36837 -28.2045 -19.9255 GPRESSAVG: 920600 10.8902 29.712 2.71383 30.6319 -27.3078 -33.7275 3.37797 -28.3832 -21.029 TIMING: 920600 CPU: 2730.25, 0.00295148/step Wall: 2730.25, 0.00295148/step, 3.34452 hours remaining, 205.285156 MB of memory in use. ENERGY: 920600 744.1946 2094.3807 1960.1374 124.8405 -205991.0530 17741.4111 0.0000 0.0000 34186.9001 -149139.1885 298.5627 -183326.0886 -149035.2817 299.3924 -85.7851 -56.1618 559564.3642 -12.4659 -12.4822 PRESSURE: 920800 -186.959 27.3567 66.2178 27.3573 -139.307 7.76081 66.218 7.75932 28.2531 GPRESSURE: 920800 -69.9557 -73.4771 5.30394 105.32 -137.83 3.67602 107.635 79.5132 10.4984 PRESSAVG: 920800 -39.4357 -61.1833 16.3048 -61.1833 -15.7445 16.6207 16.3049 16.6208 -6.79769 GPRESSAVG: 920800 -40.1412 -61.7592 16.9718 -61.706 -16.0549 15.4132 16.5472 20.318 -5.50714 TIMING: 920800 CPU: 2730.84, 0.00296348/step Wall: 2730.84, 0.00296348/step, 3.35795 hours remaining, 205.285156 MB of memory in use. ENERGY: 920800 702.1711 2038.7163 1978.9700 122.7945 -205925.3451 17567.3155 0.0000 0.0000 34174.1508 -149341.2268 298.4514 -183515.3777 -149245.8924 299.5298 -99.3379 -65.7623 558443.3788 -20.6593 -20.5677 PRESSURE: 921000 89.9035 67.7495 -75.3281 67.7503 -29.6482 -30.8899 -75.3293 -30.89 -33.8088 GPRESSURE: 921000 66.2375 45.1954 -21.1857 26.8265 81.8595 -38.6355 -75.4561 55.2067 -19.5367 PRESSAVG: 921000 39.4038 -29.0852 -19.6307 -29.0852 -43.2054 6.07602 -19.6307 6.07601 24.1648 GPRESSAVG: 921000 38.8394 -27.4097 -23.0934 -29.8173 -43.4255 9.7698 -18.9333 5.21816 24.8997 TIMING: 921000 CPU: 2731.44, 0.00297278/step Wall: 2731.44, 0.00297278/step, 3.36832 hours remaining, 205.285156 MB of memory in use. ENERGY: 921000 743.8813 2068.1955 1957.2190 109.7202 -206527.8394 18025.4766 0.0000 0.0000 34329.8629 -149293.4839 299.8112 -183623.3467 -149191.8214 299.0851 8.8155 42.8534 556797.3882 6.7877 6.7712 PRESSURE: 921200 10.8251 152.123 -85.1806 152.124 -97.687 -122.386 -85.1796 -122.385 -52.1692 GPRESSURE: 921200 60.5744 105.898 -129.406 113.436 -58.9344 -228.105 -76.1497 -132.391 -25.5621 PRESSAVG: 921200 48.7663 -17.6834 -37.2688 -17.6834 39.4327 2.07889 -37.2688 2.07898 -80.0517 GPRESSAVG: 921200 49.5792 -17.6023 -36.0981 -16.143 39.157 1.61605 -37.0097 0.642714 -81.0661 TIMING: 921200 CPU: 2732.03, 0.00297511/step Wall: 2732.03, 0.00297511/step, 3.3708 hours remaining, 205.285156 MB of memory in use. ENERGY: 921200 712.4592 2045.7683 1951.9074 105.7131 -206240.8147 17849.7587 0.0000 0.0000 34149.6947 -149425.5133 298.2378 -183575.2080 -149327.0734 298.8139 -46.3437 -7.9740 556749.6329 2.7158 2.5567 PRESSURE: 921400 -162.446 -70.6101 -133.007 -70.6107 -77.7983 -19.8665 -133.006 -19.8654 -158.08 GPRESSURE: 921400 -109.116 -80.9105 -29.97 -173.076 -40.6876 -52.8222 -81.2526 58.9256 -157.761 PRESSAVG: 921400 48.0586 -11.3493 -2.02578 -11.3493 26.5541 -32.5166 -2.02571 -32.5166 -77.8425 GPRESSAVG: 921400 48.2341 -10.8936 -1.17812 -12.5225 26.878 -33.7849 -5.77472 -32.5285 -78.1812 TIMING: 921400 CPU: 2732.62, 0.00296748/step Wall: 2732.62, 0.00296748/step, 3.36199 hours remaining, 205.285156 MB of memory in use. ENERGY: 921400 750.2289 2102.9034 1949.4593 110.9016 -206068.3108 17688.6024 0.0000 0.0000 34102.7094 -149363.5059 297.8274 -183466.2153 -149266.4503 298.1746 -132.7749 -102.5216 557332.9103 -1.0766 -1.0231 PRESSURE: 921600 30.2155 121.776 170.687 121.777 63.1062 11.8413 170.688 11.8388 -164.178 GPRESSURE: 921600 74.1621 148.416 182.891 133.663 78.2737 -18.0482 129.134 -31.7737 -128.459 PRESSAVG: 921600 16.4529 21.9031 21.4141 21.9032 -15.4915 -19.6036 21.4141 -19.6036 23.4318 GPRESSAVG: 921600 16.9728 21.7396 21.1403 23.7315 -15.0475 -20.4742 24.8691 -18.4662 22.807 TIMING: 921600 CPU: 2733.22, 0.00296454/step Wall: 2733.22, 0.00296454/step, 3.35849 hours remaining, 205.285156 MB of memory in use. ENERGY: 921600 750.4801 2131.7274 2000.4958 112.3273 -206374.6505 17865.1774 0.0000 0.0000 34455.8827 -149058.5598 300.9118 -183514.4425 -148964.3395 299.2733 -23.6188 7.9924 557830.7223 8.1311 8.2441 PRESSURE: 921800 48.0449 -114.109 78.3669 -114.11 -107.977 120.795 78.3676 120.795 -116.393 GPRESSURE: 921800 64.1763 -133.454 47.2545 -100.92 -87.8294 181.269 -11.2561 99.3893 -54.67 PRESSAVG: 921800 36.0615 -33.144 27.5087 -33.144 -27.1977 14.3934 27.5088 14.3934 0.000858416 GPRESSAVG: 921800 36.976 -34.3626 28.5277 -34.4375 -28.2754 18.1127 26.6657 13.301 0.569714 TIMING: 921800 CPU: 2733.81, 0.00295931/step Wall: 2733.81, 0.00295931/step, 3.3524 hours remaining, 205.285156 MB of memory in use. ENERGY: 921800 728.0758 2058.9839 1981.5804 112.2031 -206292.7358 17816.1162 0.0000 0.0000 34408.2074 -149187.5690 300.4954 -183595.7764 -149087.3961 299.6765 -58.7751 -26.1077 557190.5576 2.9549 3.0901 PRESSURE: 922000 5.39255 18.9405 -125.517 18.9406 -92.6181 36.6804 -125.517 36.6806 -37.8288 GPRESSURE: 922000 -8.22553 -89.9785 -135.482 -9.17505 -68.46 151.866 -161.146 -33.5524 41.0828 PRESSAVG: 922000 -20.4107 -24.3933 18.3849 -24.3933 -12.5688 -26.7095 18.3849 -26.7094 -1.9104 GPRESSAVG: 922000 -21.3833 -23.4124 18.1471 -24.8011 -12.1237 -27.7148 18.1436 -24.4692 -1.4589 TIMING: 922000 CPU: 2734.41, 0.00298872/step Wall: 2734.41, 0.00298872/step, 3.38556 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: 922000 772.4795 2093.9048 1928.8665 108.9294 -205943.8405 17731.6475 0.0000 0.0000 34242.4107 -149065.6021 299.0475 -183308.0128 -148970.2666 299.7448 -41.6848 -11.8676 558630.1373 -11.6300 -11.6553 PRESSURE: 922200 -270.938 -37.6716 -64.1155 -37.6716 -36.5414 48.437 -64.1153 48.438 78.0443 GPRESSURE: 922200 -224.928 -46.6514 -81.1016 -39.0803 -8.12631 94.1723 -102.04 88.7543 102.577 PRESSAVG: 922200 -57.6483 -49.2531 11.1648 -49.2531 -20.321 10.9965 11.1648 10.9965 41.9318 GPRESSAVG: 922200 -56.971 -49.1559 11.054 -48.2173 -20.6954 12.0366 11.5229 9.11642 41.949 TIMING: 922200 CPU: 2735.01, 0.00299983/step Wall: 2735.01, 0.00299983/step, 3.39797 hours remaining, 205.285156 MB of memory in use. ENERGY: 922200 741.0318 2122.3500 1959.1217 117.6173 -206212.1062 17691.3662 0.0000 0.0000 34221.9669 -149358.6524 298.8689 -183580.6193 -149265.1418 299.3415 -76.4784 -43.4924 557682.3998 -12.0125 -11.9058 PRESSURE: 922400 -212.117 -73.9035 -65.1784 -73.9042 23.8377 -122.834 -65.1794 -122.834 146.248 GPRESSURE: 922400 -151.879 -43.8554 -59.5841 -51.6108 52.6519 -160.039 -49.3258 -96.4386 148.655 PRESSAVG: 922400 -91.8872 -0.919921 -0.603571 -0.919921 -9.81375 26.1784 -0.603568 26.1786 103.321 GPRESSAVG: 922400 -91.7011 1.37022 -0.387115 -3.86593 -9.08611 25.5105 -0.296046 24.3148 102.248 TIMING: 922400 CPU: 2735.6, 0.00297982/step Wall: 2735.6, 0.00297982/step, 3.37514 hours remaining, 205.285156 MB of memory in use. ENERGY: 922400 739.2699 2137.9075 1945.0366 113.4017 -206096.4168 17731.9989 0.0000 0.0000 34237.7854 -149191.0167 299.0071 -183428.8021 -149099.4288 299.4567 -14.0104 16.4759 558558.3485 0.5400 0.4871 PRESSURE: 922600 -45.1423 167.739 209.685 167.74 -0.621571 123.761 209.684 123.762 -25.5197 GPRESSURE: 922600 8.22426 242.278 269.563 166.862 30.8389 75.6309 192.713 116.837 -24.5827 PRESSAVG: 922600 -24.4643 24.8186 52.4264 24.8186 6.92614 11.953 52.4264 11.9531 1.40602 GPRESSAVG: 922600 -24.7437 20.063 52.877 27.6701 5.53639 9.97491 51.7871 14.891 3.05011 TIMING: 922600 CPU: 2736.2, 0.00298741/step Wall: 2736.2, 0.00298741/step, 3.38357 hours remaining, 205.285156 MB of memory in use. ENERGY: 922600 780.4914 2069.6891 1948.3107 102.1244 -206025.9969 17809.6036 0.0000 0.0000 34246.2622 -149069.5153 299.0811 -183315.7775 -148976.1736 298.7921 -23.7612 4.8268 558659.4626 -5.3774 -5.3857 PRESSURE: 922800 56.9514 -65.7551 3.83955 -65.7558 100.209 37.2576 3.83918 37.2582 -98.5243 GPRESSURE: 922800 60.1957 -70.416 -2.01548 -60.9077 169.084 38.3185 -29.7189 17.3819 -74.2613 PRESSAVG: 922800 -51.4744 -12.5823 34.7171 -12.5823 72.1088 84.345 34.7171 84.345 0.691147 GPRESSAVG: 922800 -52.1134 -11.5944 36.4925 -11.2612 73.815 85.8532 34.5446 83.8176 -0.390477 TIMING: 922800 CPU: 2736.79, 0.00295887/step Wall: 2736.79, 0.00295887/step, 3.35109 hours remaining, 205.285156 MB of memory in use. ENERGY: 922800 782.3241 2112.0220 1947.2537 106.3309 -206042.9084 17715.9850 0.0000 0.0000 34338.3892 -149040.6034 299.8857 -183378.9926 -148943.3301 299.6227 19.5453 51.6730 557538.2970 7.1085 7.1037 PRESSURE: 923000 -136.737 -79.2367 54.1312 -79.2366 -97.6199 -60.2509 54.1319 -60.2501 -202.64 GPRESSURE: 923000 -166.702 -32.1165 12.994 -26.0204 -49.2703 -70.2141 59.6118 -53.1541 -125.785 PRESSAVG: 923000 54.8475 26.6819 16.759 26.6819 35.455 24.9933 16.759 24.9934 -40.7568 GPRESSAVG: 923000 54.8116 28.2602 15.8846 25.0077 35.5079 23.8866 15.1464 23.0557 -40.3586 TIMING: 923000 CPU: 2737.39, 0.00296222/step Wall: 2737.39, 0.00296222/step, 3.35471 hours remaining, 205.285156 MB of memory in use. ENERGY: 923000 734.7046 2086.1108 1942.2054 111.7333 -206040.6334 17669.9871 0.0000 0.0000 34393.0399 -149102.8523 300.3630 -183495.8922 -149009.1431 300.0597 -145.6657 -113.9189 558502.3820 16.5153 16.6536 PRESSURE: 923200 -171.907 -93.7712 -236.26 -93.7728 -299.132 -6.8082 -236.26 -6.80762 -23.9864 GPRESSURE: 923200 -158.669 -128.922 -260.061 -93.9119 -323.541 -11.5797 -226.959 -33.5515 76.776 PRESSAVG: 923200 -78.2959 -44.561 7.80049 -44.5609 -5.48342 -1.51039 7.80044 -1.5103 40.0107 GPRESSAVG: 923200 -78.1508 -45.496 5.55842 -45.1389 -6.30996 -0.416783 10.2919 -0.451333 40.7962 TIMING: 923200 CPU: 2737.98, 0.00295573/step Wall: 2737.98, 0.00295573/step, 3.3472 hours remaining, 205.285156 MB of memory in use. ENERGY: 923200 716.4864 2171.4965 1946.4927 114.5952 -205784.6465 17506.9137 0.0000 0.0000 34111.0200 -149217.6421 297.9000 -183328.6620 -149119.8012 299.6008 -165.0087 -135.1446 558984.2530 -14.5895 -14.5548 PRESSURE: 923400 -11.1786 -88.2434 13.9495 -88.2439 11.0576 190.758 13.9498 190.757 -116.819 GPRESSURE: 923400 -29.1508 -89.0388 -4.3287 -86.4131 87.8023 158.565 21.1553 193.88 -76.8853 PRESSAVG: 923400 -12.4814 28.6598 7.92789 28.6598 3.83489 -5.06489 7.92795 -5.06484 39.6111 GPRESSAVG: 923400 -12.0691 29.9943 9.74803 29.2077 4.71426 -7.08178 6.047 -4.00619 38.1145 TIMING: 923400 CPU: 2738.57, 0.00295733/step Wall: 2738.57, 0.00295733/step, 3.34885 hours remaining, 205.285156 MB of memory in use. ENERGY: 923400 693.5160 2102.8343 1945.3228 104.9326 -206006.5388 17708.3179 0.0000 0.0000 34352.8706 -149098.7445 300.0122 -183451.6151 -148996.9336 299.3399 -38.9799 -6.0779 558476.8294 10.3216 10.2532 PRESSURE: 923600 121.88 50.705 26.4862 50.7046 0.497408 -44.086 26.4849 -44.088 383.113 GPRESSURE: 923600 213.164 150.778 40.4083 -98.3493 39.1883 -11.5151 49.3896 -5.60117 346.629 PRESSAVG: 923600 -5.29822 22.5119 8.46212 22.5119 -18.3343 26.8779 8.46209 26.8781 -6.60325 GPRESSAVG: 923600 -4.51681 20.5336 8.29138 21.6195 -19.964 27.5503 11.1939 26.3165 -6.15637 TIMING: 923600 CPU: 2739.15, 0.00292581/step Wall: 2739.15, 0.00292581/step, 3.31299 hours remaining, 205.285156 MB of memory in use. ENERGY: 923600 712.4753 2093.6090 1945.6510 110.7811 -206437.7312 18011.1283 0.0000 0.0000 34408.6635 -149155.4230 300.4994 -183564.0865 -149061.3533 299.5776 168.4969 199.6603 556436.5948 -10.0786 -10.2124 PRESSURE: 923800 190.514 75.6398 -79.4717 75.6404 343.866 -14.6602 -79.4712 -14.6608 266.443 GPRESSURE: 923800 198.994 123.383 -31.6616 49.0997 392.978 -82.2127 -99.6733 -26.9151 307.099 PRESSAVG: 923800 15.2647 -4.87628 69.4887 -4.87629 -44.1454 4.52767 69.4888 4.52775 53.0852 GPRESSAVG: 923800 14.9273 -4.56086 68.9148 -2.38062 -43.1906 4.4006 67.0329 4.30961 52.3171 TIMING: 923800 CPU: 2739.74, 0.00294476/step Wall: 2739.74, 0.00294476/step, 3.33428 hours remaining, 205.285156 MB of memory in use. ENERGY: 923800 758.5869 2148.2583 1953.7899 112.6053 -206651.0658 18235.9639 0.0000 0.0000 34368.0871 -149073.7744 300.1451 -183441.8614 -148974.2290 299.4929 266.9408 299.6902 556273.0904 8.0682 8.0179 PRESSURE: 924000 24.5347 33.0317 23.9248 33.0328 41.9004 261.049 23.923 261.05 199.168 GPRESSURE: 924000 25.5312 -52.5991 57.9139 63.2476 132.77 190.733 -28.0972 288.829 194.421 PRESSAVG: 924000 -43.3055 4.08133 -48.7428 4.08138 -33.2848 41.1292 -48.7428 41.1292 84.9963 GPRESSAVG: 924000 -43.604 4.05636 -47.7983 2.36017 -34.8183 41.6614 -48.415 41.5648 87.1339 TIMING: 924000 CPU: 2740.33, 0.00296106/step Wall: 2740.33, 0.00296106/step, 3.35258 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: 924000 736.9649 2149.3356 1959.3632 114.7205 -206158.4665 17781.8633 0.0000 0.0000 34461.2769 -148954.9422 300.9589 -183416.2191 -148858.0366 300.0842 88.5345 117.5742 556926.8656 2.8020 2.9039 PRESSURE: 924200 -86.6097 111.602 30.0594 111.602 125.196 30.946 30.0589 30.9449 189.005 GPRESSURE: 924200 -26.4046 142.261 86.2092 159.65 162.009 59.8423 -11.668 112.68 192.887 PRESSAVG: 924200 -18.4349 42.5757 -6.08471 42.5757 -71.4581 26.6639 -6.08471 26.664 82.3783 GPRESSAVG: 924200 -16.8034 42.7186 -6.32789 41.7076 -71.3523 27.0652 -8.12868 27.4718 80.6627 TIMING: 924200 CPU: 2740.93, 0.00299794/step Wall: 2740.93, 0.00299794/step, 3.39417 hours remaining, 205.285156 MB of memory in use. ENERGY: 924200 752.1711 2130.9144 1943.1678 126.2792 -206083.2815 17896.4131 0.0000 0.0000 34299.4225 -148934.9135 299.5454 -183234.3360 -148842.0674 299.8552 75.8638 109.4972 556927.8393 -2.5049 -2.4977 LDB: ============= START OF LOAD BALANCING ============== 2744.36 LDB: ============== END OF LOAD BALANCING =============== 2744.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2744.37 LDB: ============= START OF LOAD BALANCING ============== 2744.67 LDB: Largest compute 4846 load 0.030080 is 25.5% of average load 0.117780 LDB: Average compute 0.001751 is 1.5% of average load 0.117780 LDB: TIME 2744.67 LOAD: AVG 0.11778 MAX 0.199711 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 2744.67 LOAD: AVG 0.11778 MAX 0.199711 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 2744.67 LOAD: AVG 0.11778 MAX 0.199711 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2744.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2744.68 PRESSURE: 924400 44.2453 31.2708 -80.8431 31.2718 -213.902 -116.503 -80.8432 -116.504 -142.409 GPRESSURE: 924400 73.1619 18.2298 18.0379 112.721 -197.976 -116.066 -19.881 -43.7055 -90.0361 PRESSAVG: 924400 32.1909 10.3653 3.6042 10.3652 -16.8681 -85.2634 3.60418 -85.2634 18.848 GPRESSAVG: 924400 30.3243 9.89417 5.43555 12.3461 -14.4699 -85.0769 5.35432 -84.7726 18.2215 TIMING: 924400 CPU: 2741.55, 0.00306857/step Wall: 2741.55, 0.00306857/step, 3.47397 hours remaining, 206.062500 MB of memory in use. ENERGY: 924400 738.3836 2123.7640 1942.7171 119.3494 -205992.6147 17599.4129 0.0000 0.0000 34544.2561 -148924.7316 301.6836 -183468.9877 -148819.9469 300.3221 -104.0217 -71.6168 556093.4591 11.3903 11.3586 PRESSURE: 924600 26.417 -18.6147 -112.876 -18.6141 238.712 -6.20634 -112.876 -6.20679 178.025 GPRESSURE: 924600 98.6587 -93.7638 -132.504 61.6219 240.472 28.0245 -50.0911 -53.1402 196.944 PRESSAVG: 924600 9.47748 -21.7744 -4.83142 -21.7744 -17.4864 10.4798 -4.83135 10.4797 -22.6204 GPRESSAVG: 924600 9.27954 -21.19 -6.65443 -21.8059 -18.6484 10.1851 -4.8768 9.29613 -21.9229 TIMING: 924600 CPU: 2742.15, 0.00300672/step Wall: 2742.15, 0.00300672/step, 3.40378 hours remaining, 206.062500 MB of memory in use. ENERGY: 924600 750.4557 2088.2986 1944.4111 123.2692 -205949.1422 17796.4861 0.0000 0.0000 34280.6782 -148965.5432 299.3817 -183246.2214 -148864.3824 300.0525 147.7180 178.6915 555687.1468 -10.2098 -10.4306 PRESSURE: 924800 108.747 21.8516 71.7183 21.8517 -3.07698 -65.2874 71.7172 -65.288 -0.595952 GPRESSURE: 924800 133.638 40.1071 -12.6582 8.16805 55.556 4.28565 7.87969 -59.5025 14.317 PRESSAVG: 924800 10.2641 -59.0995 -52.6012 -59.0995 -5.95645 -10.1346 -52.6012 -10.1347 -20.9787 GPRESSAVG: 924800 10.5609 -59.6051 -53.8712 -60.351 -5.64464 -9.57682 -51.4832 -10.5801 -21.6328 TIMING: 924800 CPU: 2742.75, 0.00300831/step Wall: 2742.75, 0.00300831/step, 3.40541 hours remaining, 206.062500 MB of memory in use. ENERGY: 924800 770.1287 2162.0510 1927.7985 104.5052 -206374.3090 17979.9717 0.0000 0.0000 34331.8940 -149097.9598 299.8290 -183429.8539 -149008.1637 299.5804 35.0246 67.8371 556690.6686 -5.5570 -5.5722 PRESSURE: 925000 -22.7591 -31.2835 -57.4096 -31.2846 54.5103 -45.9052 -57.4079 -45.9044 -36.9488 GPRESSURE: 925000 14.2565 -87.7833 -96.5104 -11.8324 60.7784 -29.7409 6.37559 -71.5122 0.517407 PRESSAVG: 925000 -41.4731 -27.7901 -49.6013 -27.7901 6.69716 -12.3297 -49.6013 -12.3297 28.3334 GPRESSAVG: 925000 -40.922 -26.6428 -47.6399 -27.8201 5.18691 -13.1164 -51.6232 -10.8372 28.8598 TIMING: 925000 CPU: 2743.35, 0.00297682/step Wall: 2743.35, 0.00297682/step, 3.36959 hours remaining, 206.062500 MB of memory in use. ENERGY: 925000 725.0142 2132.7322 1959.3757 106.6634 -206264.0230 17855.0896 0.0000 0.0000 34330.5270 -149154.6209 299.8170 -183485.1478 -149059.6614 299.3799 -1.7325 25.1841 556676.1887 -2.1475 -2.2918 PRESSURE: 925200 -191.104 -25.0957 -109.991 -25.0959 -86.8273 -28.5815 -109.991 -28.5818 -124.389 GPRESSURE: 925200 -174.759 -64.816 -170.059 21.8956 -32.2679 -2.48529 -67.0271 -15.9176 -107.006 PRESSAVG: 925200 -25.4576 -9.42408 -15.3696 -9.42408 -39.2855 -13.4476 -15.3695 -13.4478 -28.329 GPRESSAVG: 925200 -25.7411 -8.86028 -17.2468 -10.8803 -38.9744 -14.8833 -12.9375 -12.9694 -27.8439 TIMING: 925200 CPU: 2743.94, 0.00298625/step Wall: 2743.94, 0.00298625/step, 3.3801 hours remaining, 206.062500 MB of memory in use. ENERGY: 925200 779.9644 2098.7950 1970.0030 118.0233 -205890.6056 17562.2485 0.0000 0.0000 34319.9605 -149041.6110 299.7248 -183361.5715 -148934.4606 299.2681 -134.1069 -104.6774 559488.3884 -31.0240 -30.8531 PRESSURE: 925400 153.6 -22.1197 -161.218 -22.121 -35.7822 -58.2332 -161.218 -58.2344 -71.5003 GPRESSURE: 925400 153.896 -57.0675 -213.866 40.4307 34.1725 50.2125 -157.631 -30.6918 -35.5537 PRESSAVG: 925400 -1.20026 30.0569 -20.2906 30.057 44.9732 -9.69332 -20.2907 -9.69336 3.49658 GPRESSAVG: 925400 -1.88146 31.1568 -19.3789 30.5455 46.9673 -7.404 -21.3115 -11.4722 2.73843 TIMING: 925400 CPU: 2744.54, 0.00296732/step Wall: 2744.54, 0.00296732/step, 3.35851 hours remaining, 206.062500 MB of memory in use. ENERGY: 925400 765.6884 2093.7532 1981.8774 108.4643 -206081.0676 17896.1666 0.0000 0.0000 34252.0063 -148983.1114 299.1313 -183235.1177 -148892.9859 299.9728 15.4392 50.8382 558440.3371 15.7565 15.9414 PRESSURE: 925600 51.2841 20.0813 34.7207 20.0825 166.9 -23.1794 34.7206 -23.1808 -67.6202 GPRESSURE: 925600 105.548 121.617 4.63892 -0.789907 142.862 7.10926 84.4502 -0.322719 -4.01638 PRESSAVG: 925600 -49.1624 63.1768 -45.3308 63.1768 44.3558 -11.7026 -45.3307 -11.7026 -20.499 GPRESSAVG: 925600 -47.8624 60.6531 -44.9865 64.5348 43.7228 -12.0977 -46.0736 -10.2113 -20.8325 TIMING: 925600 CPU: 2745.13, 0.00296569/step Wall: 2745.13, 0.00296569/step, 3.3565 hours remaining, 206.062500 MB of memory in use. ENERGY: 925600 728.3633 2088.7333 1943.5577 111.9011 -206233.1016 17956.7293 0.0000 0.0000 34423.8352 -148979.9817 300.6319 -183403.8169 -148882.3945 299.9545 50.1878 81.4645 557872.7469 -8.4352 -8.3240 PRESSURE: 925800 63.4691 3.39416 74.9836 3.39401 -142.463 -169.094 74.9833 -169.095 -173.383 GPRESSURE: 925800 117.407 71.1182 -21.1306 -32.7818 -114.637 -157.849 67.0535 -167.365 -142.245 PRESSAVG: 925800 54.6501 7.46822 28.7823 7.46814 -12.6441 0.582942 28.7823 0.582941 -12.3095 GPRESSAVG: 925800 55.2513 7.65541 27.3458 6.12138 -13.1226 1.63135 29.882 -0.0321666 -12.0938 TIMING: 925800 CPU: 2745.72, 0.00296251/step Wall: 2745.72, 0.00296251/step, 3.35274 hours remaining, 206.062500 MB of memory in use. ENERGY: 925800 724.3231 2046.1271 1965.0312 113.4116 -205716.5174 17630.4792 0.0000 0.0000 34278.0550 -148959.0902 299.3588 -183237.1452 -148869.8877 299.9718 -84.1256 -46.4914 559163.6094 9.8988 10.0116 PRESSURE: 926000 172.216 226.274 105.675 226.274 -123.274 -31.2488 105.675 -31.2487 -82.5327 GPRESSURE: 926000 219.779 211.924 152.271 241.696 -68.9123 -104.317 -18.5373 62.5397 -85.3341 PRESSAVG: 926000 94.7401 40.8794 2.89259 40.8794 -39.2625 -16.9419 2.89255 -16.9419 -61.9533 GPRESSAVG: 926000 92.4951 39.179 3.69168 42.0259 -38.2783 -16.0567 1.97369 -19.6254 -61.1456 TIMING: 926000 CPU: 2746.32, 0.00296678/step Wall: 2746.32, 0.00296678/step, 3.35741 hours remaining, 206.062500 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: 926000 701.9598 2065.6097 1966.5120 103.9391 -206044.4401 17806.1627 0.0000 0.0000 34363.9659 -149036.2910 300.1091 -183400.2569 -148929.9214 299.9067 -11.1967 21.8442 558875.5043 -2.1586 -2.3096 PRESSURE: 926200 100.15 -265.785 45.9726 -265.785 125.728 -86.9037 45.9737 -86.9027 139.2 GPRESSURE: 926200 93.0373 -200.401 86.6856 -317.639 198.934 -67.154 16.2378 -55.0311 178.2 PRESSAVG: 926200 31.2132 -0.968828 -30.8105 -0.968723 -27.9119 19.3143 -30.8105 19.3144 -13.8408 GPRESSAVG: 926200 33.944 3.41941 -30.2868 -4.39904 -29.6143 18.7194 -29.9562 20.993 -14.2726 TIMING: 926200 CPU: 2746.91, 0.00296145/step Wall: 2746.91, 0.00296145/step, 3.35121 hours remaining, 206.062500 MB of memory in use. ENERGY: 926200 731.0752 2087.0031 1953.7006 115.1221 -206271.4443 17969.4571 0.0000 0.0000 34470.3477 -148944.7384 301.0381 -183415.0862 -148849.3373 300.1330 121.6931 156.7236 556501.8934 -3.5132 -3.3143 PRESSURE: 926400 103.019 -13.7567 137.586 -13.7573 127.147 50.9211 137.586 50.9224 129.175 GPRESSURE: 926400 106.008 -5.10332 82.3302 -42.9885 153.798 -2.24442 152.237 15.4982 197.389 PRESSAVG: 926400 26.8916 -18.8867 -21.3968 -18.8867 39.7925 31.1459 -21.3969 31.1459 -57.1048 GPRESSAVG: 926400 26.5046 -20.6567 -21.9976 -17.0169 39.8139 29.8908 -22.5075 30.7013 -56.435 TIMING: 926400 CPU: 2747.49, 0.002935/step Wall: 2747.49, 0.002935/step, 3.32112 hours remaining, 206.062500 MB of memory in use. ENERGY: 926400 763.9297 2131.5028 1958.7899 106.6136 -206120.4591 17853.3647 0.0000 0.0000 34277.0701 -149029.1882 299.3502 -183306.2583 -148936.2274 299.8516 119.7804 152.3980 555220.3773 3.1931 3.2945 PRESSURE: 926600 -15.5403 9.55072 116.363 9.55125 -26.7978 145.425 116.362 145.425 -83.6695 GPRESSURE: 926600 -27.7591 -24.1389 64.7825 56.5918 8.58604 109.723 64.1746 174.283 -15.363 PRESSAVG: 926600 -51.1383 5.13229 -3.34981 5.13228 91.8099 -15.0209 -3.34982 -15.0209 -13.6527 GPRESSAVG: 926600 -51.8376 4.49507 -3.2298 6.34384 92.2897 -14.8948 -2.75486 -15.0887 -13.3918 TIMING: 926600 CPU: 2748.09, 0.00297225/step Wall: 2748.09, 0.00297225/step, 3.3631 hours remaining, 206.062500 MB of memory in use. ENERGY: 926600 744.7009 2038.9515 1947.5874 118.2641 -206162.8571 17745.3158 0.0000 0.0000 34438.0511 -149129.9862 300.7561 -183568.0373 -149032.6075 299.4842 -42.0025 -11.5120 556209.2439 9.0063 9.0201 PRESSURE: 926800 -86.9131 -86.62 -154.178 -86.6197 -41.4825 47.1616 -154.177 47.1606 10.944 GPRESSURE: 926800 -75.09 -40.9349 -209.342 -56.4259 -19.8777 -41.1615 -162.947 124.422 67.0228 PRESSAVG: 926800 -45.955 3.93232 -18.9996 3.93222 43.8585 38.5409 -18.9996 38.541 3.55384 GPRESSAVG: 926800 -46.2252 3.72812 -21.1916 3.8207 44.7015 38.3897 -17.6403 39.2178 2.85091 TIMING: 926800 CPU: 2748.68, 0.00296414/step Wall: 2748.68, 0.00296414/step, 3.35376 hours remaining, 206.062500 MB of memory in use. ENERGY: 926800 726.0490 2156.4112 1967.6934 107.8060 -205995.8344 17477.0354 0.0000 0.0000 34455.8433 -149104.9962 300.9114 -183560.8394 -149017.1265 299.4989 -39.1505 -9.3149 554607.9641 0.4858 0.4424 PRESSURE: 927000 57.6144 35.5043 3.97033 35.5049 118.838 9.40399 3.96943 9.40508 -65.5443 GPRESSURE: 927000 106.582 -16.9585 -59.5287 6.6307 146.867 -58.4077 158.563 89.9764 -38.2438 PRESSAVG: 927000 -10.7464 -6.25063 -6.88846 -6.2506 4.93306 43.809 -6.88844 43.8088 -27.2287 GPRESSAVG: 927000 -11.0107 -5.84744 -6.23748 -7.23026 4.32938 43.5772 -7.51718 45.3783 -25.9731 TIMING: 927000 CPU: 2749.27, 0.0029459/step Wall: 2749.27, 0.0029459/step, 3.33296 hours remaining, 206.062500 MB of memory in use. ENERGY: 927000 739.3487 2121.2687 1946.9598 96.7724 -205973.5129 17687.7322 0.0000 0.0000 34254.1849 -149127.2463 299.1503 -183381.4311 -149034.4064 300.0079 36.9695 71.7351 554440.6858 -11.0140 -10.8848 PRESSURE: 927200 -37.3022 12.9354 20.9084 12.9358 -46.8377 30.5845 20.91 30.5851 -2.29858 GPRESSURE: 927200 3.67449 58.8083 -68.7815 -47.8306 -76.3492 32.2765 64.9097 20.5646 82.3054 PRESSAVG: 927200 -22.5923 49.9309 3.53029 49.9309 26.4965 -12.0247 3.53038 -12.0249 19.3295 GPRESSAVG: 927200 -21.9787 50.5067 4.41593 49.1211 25.406 -10.5701 3.42208 -14.0727 19.5049 TIMING: 927200 CPU: 2749.86, 0.00295146/step Wall: 2749.86, 0.00295146/step, 3.33908 hours remaining, 206.062500 MB of memory in use. ENERGY: 927200 765.4746 2104.7789 1971.3727 110.1799 -206189.7649 17720.7471 0.0000 0.0000 34163.6286 -149353.5832 298.3595 -183517.2118 -149250.8440 299.2818 -28.8128 3.2102 556353.9458 7.7445 7.6441 PRESSURE: 927400 -209.279 128.231 31.6381 128.231 -313.779 131.76 31.6386 131.759 159.903 GPRESSURE: 927400 -139.72 86.9983 105.524 89.3203 -292.611 151.015 -6.35043 116.408 159.453 PRESSAVG: 927400 -6.23482 -2.47102 6.74727 -2.47093 -31.1336 8.70265 6.7473 8.70269 39.2668 GPRESSAVG: 927400 -7.10567 -2.56136 5.31341 -2.23366 -29.6372 5.84448 7.57238 10.5335 38.5874 TIMING: 927400 CPU: 2750.46, 0.00297008/step Wall: 2750.46, 0.00297008/step, 3.35999 hours remaining, 206.062500 MB of memory in use. ENERGY: 927400 753.0920 2103.7309 1954.6445 117.5238 -205527.3170 17464.7816 0.0000 0.0000 34138.7498 -148994.7945 298.1422 -183133.5443 -148893.1592 299.6928 -121.0519 -90.9592 558019.4579 0.6328 0.6148 PRESSURE: 927600 119.403 -75.5706 105.419 -75.5689 280.9 -127.184 105.419 -127.185 160.54 GPRESSURE: 927600 169.618 -54.1053 148.953 -120.974 309.474 -76.4802 92.7685 -142.829 182.144 PRESSAVG: 927600 8.27141 24.1486 -3.31946 24.1486 -6.03322 19.5144 -3.31948 19.5144 6.87988 GPRESSAVG: 927600 9.4213 23.4518 -1.86946 24.5765 -6.82961 21.2917 -2.91839 19.9623 6.97068 TIMING: 927600 CPU: 2751.05, 0.00295397/step Wall: 2751.05, 0.00295397/step, 3.34159 hours remaining, 206.062500 MB of memory in use. ENERGY: 927600 711.5914 2102.5880 1973.2693 114.4045 -206213.7134 17977.1824 0.0000 0.0000 34314.9211 -149019.7567 299.6807 -183334.6779 -148924.7607 299.6724 186.9476 220.4121 556159.4445 3.0394 3.1875 PRESSURE: 927800 195.811 1.9936 -2.1919 1.99341 56.6856 2.06812 -2.19197 2.06849 295.639 GPRESSURE: 927800 261.298 -25.5729 -13.1179 -20.5839 78.9503 -86.5764 -30.8091 142.344 296.123 PRESSAVG: 927800 -30.4344 3.25236 -22.3651 3.25238 48.9885 -38.0283 -22.3652 -38.0283 3.93287 GPRESSAVG: 927800 -31.012 3.63152 -22.8323 1.89426 49.8789 -38.8222 -23.6692 -37.7624 4.11603 TIMING: 927800 CPU: 2751.64, 0.00295322/step Wall: 2751.64, 0.00295322/step, 3.34058 hours remaining, 206.062500 MB of memory in use. ENERGY: 927800 731.4121 2085.6796 1972.0979 117.2372 -206273.9850 18133.9004 0.0000 0.0000 34353.7046 -148879.9533 300.0194 -183233.6579 -148786.6282 299.9934 182.7119 212.1240 556906.2908 7.4956 7.6610 PRESSURE: 928000 -135.734 137.286 21.1542 137.285 -90.9868 1.30317 21.1551 1.30308 -244.263 GPRESSURE: 928000 -87.6985 186.701 -119.074 162.066 -55.5944 61.2778 31.2259 -78.4495 -249.653 PRESSAVG: 928000 -19.2472 8.96519 8.63916 8.96517 13.046 1.18257 8.63926 1.18258 10.5784 GPRESSAVG: 928000 -19.0793 9.86049 6.67641 9.11084 13.6822 3.52519 8.105 -0.859825 9.87747 TIMING: 928000 CPU: 2752.23, 0.00296117/step Wall: 2752.23, 0.00296117/step, 3.34941 hours remaining, 206.062500 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: 928000 788.1259 2122.0581 1972.3723 115.7407 -205755.2789 17483.6074 0.0000 0.0000 34474.3917 -148798.9829 301.0734 -183273.3745 -148704.0033 300.5473 -156.9945 -130.9821 557923.4573 1.4591 1.4935 PRESSURE: 928200 106.724 145.048 20.1052 145.049 90.1025 -45.1084 20.1052 -45.109 27.1404 GPRESSURE: 928200 120.926 119.516 -54.7557 167.701 114.678 32.0071 5.32856 -136.664 77.2886 PRESSAVG: 928200 52.2411 -3.12246 18.3917 -3.12244 5.74382 -14.3258 18.3917 -14.3257 -46.1859 GPRESSAVG: 928200 51.8501 -4.3306 17.9729 -1.33639 5.35325 -13.6563 21.2078 -14.4048 -45.6858 TIMING: 928200 CPU: 2752.82, 0.00294934/step Wall: 2752.82, 0.00294934/step, 3.33587 hours remaining, 206.062500 MB of memory in use. ENERGY: 928200 717.8595 2089.2998 1950.2514 111.7032 -205825.2794 17739.4368 0.0000 0.0000 34576.8392 -148639.8894 301.9681 -183216.7287 -148543.8610 300.7891 74.6555 104.2976 558291.9801 3.9330 3.8392 LDB: ============= START OF LOAD BALANCING ============== 2756.24 LDB: ============== END OF LOAD BALANCING =============== 2756.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2756.24 LDB: ============= START OF LOAD BALANCING ============== 2756.54 LDB: Largest compute 4847 load 0.029425 is 25.0% of average load 0.117818 LDB: Average compute 0.001748 is 1.5% of average load 0.117818 LDB: TIME 2756.54 LOAD: AVG 0.117818 MAX 0.196049 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 2756.54 LOAD: AVG 0.117818 MAX 0.196049 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: TIME 2756.54 LOAD: AVG 0.117818 MAX 0.196049 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2756.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2756.55 PRESSURE: 928400 84.3802 -9.70275 178.018 -9.70236 124.746 -101.241 178.018 -101.241 -125.633 GPRESSURE: 928400 134.342 -12.9455 211.954 39.6428 142.972 -98.4215 131.596 -154.916 -107.895 PRESSAVG: 928400 -9.694 48.0525 -16.2648 48.0527 46.1957 -29.359 -16.2647 -29.3591 -29.1289 GPRESSAVG: 928400 -9.5205 48.3898 -14.3119 47.703 46.0185 -31.7078 -17.9913 -29.0112 -29.3958 TIMING: 928400 CPU: 2753.42, 0.00300294/step Wall: 2753.42, 0.00300294/step, 3.39633 hours remaining, 207.218750 MB of memory in use. ENERGY: 928400 727.8318 2134.1156 1965.0433 115.5753 -205633.8284 17551.5336 0.0000 0.0000 34396.6523 -148743.0766 300.3945 -183139.7289 -148642.2593 301.0869 27.8313 56.4730 557058.3642 2.4576 2.3674 PRESSURE: 928600 377.951 11.0889 86.6903 11.0898 109.214 -48.5814 86.6906 -48.5827 24.9133 GPRESSURE: 928600 398.923 37.0664 71.1676 -22.7002 200.483 -113.247 -10.2138 -23.429 18.1939 PRESSAVG: 928600 3.63692 26.3147 66.5747 26.3147 56.2079 0.776596 66.5746 0.776622 -0.914326 GPRESSAVG: 928600 3.47693 26.9169 67.0995 24.9304 57.3259 -0.267226 66.9118 2.62621 -1.13794 TIMING: 928600 CPU: 2754.01, 0.00295512/step Wall: 2754.01, 0.00295512/step, 3.34207 hours remaining, 207.289062 MB of memory in use. ENERGY: 928600 727.9897 2045.8351 1987.9286 116.9444 -206152.6534 17939.0752 0.0000 0.0000 34560.1705 -148774.7100 301.8226 -183334.8805 -148681.3094 300.7176 170.6928 205.8664 555533.5388 19.6435 19.8883 PRESSURE: 928800 -386.259 128.629 54.5238 128.629 -103.39 -87.1695 54.5241 -87.1682 -192.552 GPRESSURE: 928800 -372.285 98.0883 26.585 162.747 -92.8477 -69.194 19.2105 -0.227385 -131.712 PRESSAVG: 928800 37.1011 47.2697 -5.72268 47.2697 -38.44 35.8954 -5.72267 35.8954 -4.38404 GPRESSAVG: 928800 37.5701 44.6685 -6.74139 49.4391 -39.6191 36.1319 -5.24691 35.2518 -3.91642 TIMING: 928800 CPU: 2754.6, 0.00296774/step Wall: 2754.6, 0.00296774/step, 3.35619 hours remaining, 207.289062 MB of memory in use. ENERGY: 928800 750.4405 2134.8654 1953.9834 100.4559 -205236.9829 17133.9853 0.0000 0.0000 34411.9616 -148751.2907 300.5282 -183163.2523 -148649.9223 300.6409 -227.4006 -198.9482 557516.8385 -1.9076 -1.9885 PRESSURE: 929000 137.686 30.7166 267.548 30.715 64.5819 -48.8149 267.548 -48.8163 76.3424 GPRESSURE: 929000 196.772 88.083 337.858 34.9301 124.827 -84.9266 231.532 -51.5626 55.5148 PRESSAVG: 929000 -15.7065 26.4816 52.0718 26.4816 26.0649 -6.47258 52.0719 -6.47256 37.2773 GPRESSAVG: 929000 -14.9316 27.9697 52.7478 26.1119 27.1005 -6.38852 50.9774 -6.86743 35.9274 TIMING: 929000 CPU: 2755.2, 0.00297971/step Wall: 2755.2, 0.00297971/step, 3.36955 hours remaining, 207.289062 MB of memory in use. ENERGY: 929000 699.2439 2075.4428 1954.4518 101.0235 -205933.8776 17648.4521 0.0000 0.0000 34576.0922 -148879.1712 301.9616 -183455.2634 -148779.0702 300.7513 92.8702 125.7045 556521.1406 15.8785 16.0321 PRESSURE: 929200 -92.9303 188.338 -7.03636 188.338 -5.08717 80.8401 -7.03748 80.8398 241.312 GPRESSURE: 929200 -27.4261 179.428 -82.6524 108.598 28.3977 143.979 -12.2014 52.23 242.558 PRESSAVG: 929200 13.8546 -20.7214 6.38806 -20.7214 -26.5935 -17.6866 6.388 -17.6866 1.17562 GPRESSAVG: 929200 13.6184 -19.1378 5.52097 -21.0873 -26.6238 -17.4191 5.92095 -16.9802 1.5741 TIMING: 929200 CPU: 2755.79, 0.00295713/step Wall: 2755.79, 0.00295713/step, 3.34386 hours remaining, 207.289062 MB of memory in use. ENERGY: 929200 740.1377 2114.6112 1949.4835 126.6536 -205976.9010 17913.1645 0.0000 0.0000 34270.7226 -148862.1278 299.2947 -183132.8504 -148760.6803 299.9525 47.7647 81.1767 557208.5421 -3.8544 -3.8104 PRESSURE: 929400 -242.154 192.587 73.0713 192.585 -80.086 -1.05315 73.071 -1.05446 -137.237 GPRESSURE: 929400 -216.584 164.613 91.1795 276.759 -99.2661 138.759 34.8831 -109.214 -42.083 PRESSAVG: 929400 -46.4163 35.6047 -1.84273 35.6047 44.2551 -5.94245 -1.84283 -5.94256 -8.1915 GPRESSAVG: 929400 -46.8164 35.1149 -1.1316 35.9144 43.9469 -3.95212 -0.525615 -6.45517 -6.1484 TIMING: 929400 CPU: 2756.38, 0.00296196/step Wall: 2756.38, 0.00296196/step, 3.34916 hours remaining, 207.289062 MB of memory in use. ENERGY: 929400 794.6636 2077.4080 1944.3438 110.0966 -205969.2105 17586.1488 0.0000 0.0000 34374.7320 -149081.8177 300.2031 -183456.5497 -148984.2456 299.7003 -153.1589 -119.3110 558361.7988 -3.4509 -3.0060 PRESSURE: 929600 -148.521 -23.7593 -92.2743 -23.7596 -43.8995 95.0232 -92.2745 95.0235 53.3094 GPRESSURE: 929600 -97.0992 -31.8367 -53.4543 -17.4456 -8.67194 82.7666 -96.5982 128.295 58.7477 PRESSAVG: 929600 -5.71634 6.17509 -1.94218 6.17514 19.8391 -10.3889 -1.94222 -10.3888 -15.9771 GPRESSAVG: 929600 -6.0536 6.11491 -1.00321 5.43357 21.1112 -11.15 -3.41033 -10.0016 -16.9592 TIMING: 929600 CPU: 2756.98, 0.00295733/step Wall: 2756.98, 0.00295733/step, 3.34375 hours remaining, 207.289062 MB of memory in use. ENERGY: 929600 746.0710 2034.9027 1967.5478 114.8204 -206029.9612 17832.7155 0.0000 0.0000 34165.1447 -149168.7590 298.3727 -183333.9037 -149075.0378 299.2368 -46.3702 -15.6745 559082.7842 -0.6181 -0.6339 PRESSURE: 929800 -253.376 4.29183 100.543 4.29044 -29.8651 54.2464 100.544 54.2471 -37.474 GPRESSURE: 929800 -196.556 30.5923 -7.64493 -15.6258 6.53001 120.123 235.537 92.5306 -23.9054 PRESSAVG: 929800 -66.8213 55.6836 19.5075 55.6836 6.34357 8.95308 19.5075 8.95319 46.9762 GPRESSAVG: 929800 -66.4365 54.1435 18.2221 55.8428 4.99163 7.73508 19.4421 7.37962 47.7626 TIMING: 929800 CPU: 2757.57, 0.00298257/step Wall: 2757.57, 0.00298257/step, 3.37212 hours remaining, 207.289062 MB of memory in use. ENERGY: 929800 758.8218 2059.2320 1940.7029 117.2652 -206099.7895 17813.9984 0.0000 0.0000 34185.0028 -149224.7664 298.5461 -183409.7691 -149135.1203 298.1909 -106.9052 -71.3106 559082.7242 -4.5005 -4.5608 PRESSURE: 930000 -341.629 58.25 167.492 58.2503 -171.85 81.622 167.492 81.6231 -184.304 GPRESSURE: 930000 -311.915 93.2251 160.029 86.8982 -81.7142 126.118 111.706 30.8418 -208.407 PRESSAVG: 930000 13.7513 40.889 94.7436 40.889 14.0249 -17.6145 94.7435 -17.6145 35.4288 GPRESSAVG: 930000 14.2198 40.2641 96.4948 43.2163 13.8305 -18.0002 93.2683 -16.1878 35.2466 TIMING: 930000 CPU: 2758.17, 0.00300733/step Wall: 2758.17, 0.00300733/step, 3.39995 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: 930000 767.5215 2081.1018 1965.0370 113.3679 -205947.6959 17587.8684 0.0000 0.0000 34080.7248 -149352.0745 297.6354 -183432.7993 -149259.1912 298.6474 -232.5945 -200.6785 560516.7285 21.0683 21.0990 PRESSURE: 930200 14.3204 5.25592 160.333 5.25596 -60.5707 1.00679 160.333 1.00672 -66.8781 GPRESSURE: 930200 83.6276 -9.14525 138.598 2.5362 -20.8094 -12.5418 169.685 -108.595 -72.8693 PRESSAVG: 930200 25.8632 31.0947 57.6096 31.0945 -5.14245 -52.6067 57.6096 -52.6067 -7.94827 GPRESSAVG: 930200 25.8033 32.3533 57.6379 29.2989 -4.53551 -51.3958 58.6794 -53.0546 -8.14881 TIMING: 930200 CPU: 2758.77, 0.00298108/step Wall: 2758.77, 0.00298108/step, 3.37011 hours remaining, 207.289062 MB of memory in use. ENERGY: 930200 724.8806 2019.2281 1936.7161 110.6927 -206091.4403 17787.5165 0.0000 0.0000 34183.5401 -149328.8663 298.5334 -183512.4064 -149236.3397 298.5938 -37.7094 -3.3504 558699.9908 4.2575 4.3730 PRESSURE: 930400 -304.825 -80.4538 13.7026 -80.4545 -103.979 1.90305 13.6999 1.90279 -85.0332 GPRESSURE: 930400 -315.18 -179.438 -9.17863 -44.4666 -60.5357 2.24552 138.102 52.7784 -26.6315 PRESSAVG: 930400 21.7946 22.619 -6.1219 22.6191 -21.1459 41.8986 -6.12189 41.8985 14.2369 GPRESSAVG: 930400 22.3986 22.2594 -5.68311 20.7628 -21.2296 42.8497 -6.01339 41.1854 13.4849 TIMING: 930400 CPU: 2759.37, 0.00300673/step Wall: 2759.37, 0.00300673/step, 3.39894 hours remaining, 207.289062 MB of memory in use. ENERGY: 930400 718.8074 2078.3348 1946.2299 101.8810 -206100.0843 17629.1460 0.0000 0.0000 34380.0821 -149245.6031 300.2498 -183625.6852 -149143.5720 298.9957 -164.6122 -134.1158 558139.5431 4.9619 4.8846 PRESSURE: 930600 -56.587 11.8975 -146.882 11.8975 -139.701 42.999 -146.882 42.999 -101.031 GPRESSURE: 930600 -51.6752 -25.7478 -185.774 -30.6309 -120.922 74.3235 -45.4886 -40.6154 -30.2074 PRESSAVG: 930600 4.78986 -19.7445 -44.0279 -19.7446 -41.2681 -11.0561 -44.0278 -11.056 -14.5239 GPRESSAVG: 930600 4.85235 -16.9066 -44.7993 -19.0882 -42.181 -11.3976 -45.3827 -10.3504 -13.7731 TIMING: 930600 CPU: 2759.96, 0.00296718/step Wall: 2759.96, 0.00296718/step, 3.35407 hours remaining, 207.289062 MB of memory in use. ENERGY: 930600 741.2198 2097.7432 1947.2052 123.5214 -205932.3603 17671.3478 0.0000 0.0000 34155.9764 -149195.3465 298.2926 -183351.3230 -149099.8934 298.9828 -99.1065 -67.6017 557481.5836 -17.0007 -17.0339 PRESSURE: 930800 -164.89 16.0224 -213.452 16.0228 215.244 50.9806 -213.451 50.9802 168.897 GPRESSURE: 930800 -121.963 2.8636 -202.947 -45.8643 210.18 76.0269 -258.681 77.4716 221.937 PRESSAVG: 930800 -11.6583 25.4768 5.58555 25.4769 52.1451 35.3876 5.58558 35.3877 -71.0405 GPRESSAVG: 930800 -12.079 21.6396 6.04481 29.3556 53.416 36.1283 5.4589 33.3002 -71.4632 TIMING: 930800 CPU: 2760.56, 0.00298148/step Wall: 2760.56, 0.00298148/step, 3.37007 hours remaining, 207.289062 MB of memory in use. ENERGY: 930800 767.9011 2134.7289 1930.9894 110.1114 -206136.2101 17881.7561 0.0000 0.0000 34182.5012 -149128.2220 298.5243 -183310.7232 -149047.8177 299.4543 73.0838 103.3844 557301.4430 -10.1846 -10.0421 PRESSURE: 931000 -33.5874 64.1215 -2.66585 64.1212 12.9355 -33.7412 -2.66523 -33.7386 78.2806 GPRESSURE: 931000 -17.7343 49.5292 25.6597 129.943 29.3508 -114.261 54.5524 46.2437 129.826 PRESSAVG: 931000 -14.7589 -17.8387 -0.167488 -17.8387 10.083 35.8811 -0.167651 35.8812 -18.5254 GPRESSAVG: 931000 -14.8634 -15.7663 -2.19387 -22.4685 10.4114 36.5626 2.08665 34.7745 -18.2377 TIMING: 931000 CPU: 2761.16, 0.00300036/step Wall: 2761.16, 0.00300036/step, 3.39124 hours remaining, 207.289062 MB of memory in use. ENERGY: 931000 764.7521 2076.6987 1910.3730 111.2277 -205737.0910 17675.3799 0.0000 0.0000 34032.2412 -149166.4184 297.2120 -183198.6596 -149071.2663 299.3756 19.2096 47.1475 557272.1432 -7.7338 -7.5632 PRESSURE: 931200 -162.514 -91.283 76.69 -91.2834 -165.65 -165.204 76.6909 -165.205 78.9548 GPRESSURE: 931200 -65.7455 -65.7776 53.4274 -91.1465 -155.852 -119.618 129.525 -155.751 71.5651 PRESSAVG: 931200 -3.29101 6.19348 7.95807 6.19343 -31.2488 -26.7518 7.95807 -26.7517 27.9893 GPRESSAVG: 931200 -2.57938 5.4314 9.25752 8.23562 -32.07 -26.6451 6.65132 -25.0136 28.393 TIMING: 931200 CPU: 2761.76, 0.00297754/step Wall: 2761.76, 0.00297754/step, 3.36528 hours remaining, 207.289062 MB of memory in use. ENERGY: 931200 715.5199 2071.7147 1951.1968 118.5699 -205932.5565 17678.0674 0.0000 0.0000 34313.2831 -149084.2048 299.6664 -183397.4879 -148988.1605 299.3147 -83.0697 -50.0109 558900.4538 -2.1835 -2.0854 PRESSURE: 931400 149.702 -78.4649 -168.135 -78.4642 226.129 -49.4486 -168.135 -49.4478 14.0309 GPRESSURE: 931400 173.647 -31.5201 -68.1403 -74.3991 281.736 4.18646 -256.311 -47.3041 38.5589 PRESSAVG: 931400 34.7149 28.0668 21.9832 28.0669 -26.8017 1.43411 21.9831 1.43393 -19.3307 GPRESSAVG: 931400 35.6714 27.6227 19.8813 28.8252 -27.4075 0.491853 23.6884 2.83483 -19.6257 TIMING: 931400 CPU: 2762.35, 0.00297671/step Wall: 2762.35, 0.00297671/step, 3.36418 hours remaining, 207.289062 MB of memory in use. ENERGY: 931400 728.9820 2063.1517 1940.5688 118.7387 -206383.5023 18013.4783 0.0000 0.0000 34267.8102 -149250.7727 299.2693 -183518.5829 -149154.8131 300.0492 129.9542 164.6476 557681.7994 -3.8059 -3.7873 PRESSURE: 931600 30.4769 135.664 -53.6845 135.664 -34.2466 -225.198 -53.685 -225.197 -7.77161 GPRESSURE: 931600 57.664 103.327 -123.641 161.225 58.6319 -188.5 -63.5588 -192.864 -34.1 PRESSAVG: 931600 11.2998 9.54514 -15.7176 9.54523 15.8168 -49.1986 -15.7174 -49.1985 19.0266 GPRESSAVG: 931600 11.2708 10.4099 -15.7507 8.84468 15.6133 -48.93 -19.199 -52.6881 19.3047 TIMING: 931600 CPU: 2762.94, 0.00296433/step Wall: 2762.94, 0.00296433/step, 3.35002 hours remaining, 207.289062 MB of memory in use. ENERGY: 931600 715.6923 2029.9824 1944.8467 106.2163 -205998.1856 17828.3015 0.0000 0.0000 33968.0588 -149405.0877 296.6515 -183373.1465 -149311.3495 298.4714 -3.8471 27.3986 556201.3357 15.3811 15.3963 PRESSURE: 931800 -85.5361 -69.7064 68.5938 -69.7068 -159.018 -55.6773 68.594 -55.6766 18.9981 GPRESSURE: 931800 -43.2262 -102.14 99.5713 -89.0428 -140.875 -63.7487 0.277713 1.58258 56.5416 PRESSAVG: 931800 27.8861 6.55499 -53.7223 6.55497 -73.9825 35.8476 -53.7222 35.8477 67.0732 GPRESSAVG: 931800 26.2212 5.29475 -54.1235 6.09959 -72.9254 35.0682 -51.4371 37.5454 67.747 TIMING: 931800 CPU: 2763.54, 0.00297189/step Wall: 2763.54, 0.00297189/step, 3.35841 hours remaining, 207.289062 MB of memory in use. ENERGY: 931800 751.6689 2101.9985 1921.6859 110.5542 -206104.3927 17574.8154 0.0000 0.0000 34287.2839 -149356.3859 299.4394 -183643.6698 -149258.1495 299.3272 -75.1854 -42.5199 557617.0117 6.9923 7.0143 PRESSURE: 932000 10.3907 -7.66125 -79.9004 -7.65992 183.752 -206.441 -79.9006 -206.44 51.4176 GPRESSURE: 932000 79.0121 -43.1777 -123.23 43.1979 151.903 -249.387 3.15782 -145.511 106.699 PRESSAVG: 932000 4.34702 -39.6742 -18.0563 -39.6742 -25.926 -9.92909 -18.0564 -9.92907 -2.48325 GPRESSAVG: 932000 4.51132 -37.7844 -15.864 -39.4125 -26.837 -8.93099 -17.746 -9.58597 -2.04906 TIMING: 932000 CPU: 2764.13, 0.00296039/step Wall: 2764.13, 0.00296039/step, 3.34524 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: 932000 736.7291 2097.6075 1966.8828 116.4721 -206513.8953 17870.5423 0.0000 0.0000 34398.2228 -149327.4387 300.4082 -183725.6615 -149237.7371 299.0865 81.8535 112.5380 557727.5432 -8.0207 -8.1249 PRESSURE: 932200 -135.763 49.5796 -208.145 49.5813 -37.4762 41.2541 -208.145 41.2548 -221.898 GPRESSURE: 932200 -124.29 93.4901 -202.47 -10.9812 2.41934 -39.2542 -212.463 78.8123 -170.683 PRESSAVG: 932200 -4.57551 -19.4635 31.8879 -19.4635 -4.53269 -31.9586 31.8878 -31.9586 29.8917 GPRESSAVG: 932200 -3.65129 -18.4833 31.8143 -20.9536 -4.44372 -33.5048 28.7464 -33.0126 28.9325 TIMING: 932200 CPU: 2764.72, 0.00296766/step Wall: 2764.72, 0.00296766/step, 3.35329 hours remaining, 207.289062 MB of memory in use. ENERGY: 932200 760.3536 2082.9799 1944.3972 113.2723 -206084.9815 17645.2462 0.0000 0.0000 34365.8129 -149172.9192 300.1252 -183538.7322 -149069.5864 299.4237 -131.7123 -97.5177 557576.0985 6.9278 6.9458 LDB: ============= START OF LOAD BALANCING ============== 2768.15 LDB: ============== END OF LOAD BALANCING =============== 2768.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2768.16 LDB: ============= START OF LOAD BALANCING ============== 2768.46 LDB: Largest compute 4847 load 0.029201 is 24.8% of average load 0.117826 LDB: Average compute 0.001745 is 1.5% of average load 0.117826 LDB: TIME 2768.46 LOAD: AVG 0.117826 MAX 0.198947 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 2768.46 LOAD: AVG 0.117826 MAX 0.198947 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: TIME 2768.46 LOAD: AVG 0.117826 MAX 0.198947 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.504 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2768.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2768.46 PRESSURE: 932400 -28.7199 183.394 -93.3535 183.393 -129.858 46.8817 -93.3543 46.8823 -35.0905 GPRESSURE: 932400 9.16782 128.972 -122.82 142.361 -76.7619 -21.6193 -32.6619 49.5052 -37.287 PRESSAVG: 932400 36.6467 16.0479 -62.3078 16.0479 -13.4854 -32.872 -62.3078 -32.8719 -57.8901 GPRESSAVG: 932400 35.8314 15.7502 -62.4147 16.6437 -13.2288 -33.3736 -60.633 -30.548 -57.2041 TIMING: 932400 CPU: 2765.33, 0.003052/step Wall: 2765.33, 0.003052/step, 3.44842 hours remaining, 205.992188 MB of memory in use. ENERGY: 932400 773.8020 2102.9616 1966.9631 108.3833 -206342.8752 17846.4168 0.0000 0.0000 34321.2728 -149223.0756 299.7362 -183544.3484 -149121.3838 299.0160 -64.5562 -34.9604 558246.1151 -11.5762 -11.5338 PRESSURE: 932600 15.4617 115.821 -66.3661 115.821 240.609 27.7997 -66.3652 27.7975 110.741 GPRESSURE: 932600 -0.511326 56.0155 -26.9435 82.1764 333.463 -67.7804 -84.1394 63.0955 132.433 PRESSAVG: 932600 -29.4339 -2.18486 12.1413 -2.18497 -3.60965 -13.1825 12.1413 -13.1825 -1.78404 GPRESSAVG: 932600 -28.6411 -2.74832 10.3247 -1.0805 -3.302 -13.358 12.2872 -13.9254 -3.14168 TIMING: 932600 CPU: 2765.93, 0.00298594/step Wall: 2765.93, 0.00298594/step, 3.37361 hours remaining, 205.992188 MB of memory in use. ENERGY: 932600 725.2621 2104.2044 1939.9327 104.3163 -206517.4562 17999.9284 0.0000 0.0000 34384.0466 -149259.7658 300.2844 -183643.8124 -149164.7282 299.4342 122.2708 155.1282 556495.7987 -11.6092 -11.6949 PRESSURE: 932800 -2.64965 -110.544 -28.6037 -110.544 100.77 -92.9887 -28.6032 -92.9889 63.0323 GPRESSURE: 932800 23.4477 -105.652 -65.2236 -148.653 162.676 -44.6572 -37.627 -121.568 74.8904 PRESSAVG: 932800 5.96748 6.064 31.9316 6.06386 -55.4257 4.67421 31.9316 4.67419 121.843 GPRESSAVG: 932800 4.47543 4.30719 33.0332 4.13158 -54.562 3.38505 31.8493 6.65064 123.113 TIMING: 932800 CPU: 2766.53, 0.00297783/step Wall: 2766.53, 0.00297783/step, 3.36429 hours remaining, 205.992188 MB of memory in use. ENERGY: 932800 748.4757 2135.0909 1976.2576 106.2286 -206418.8831 18100.0029 0.0000 0.0000 34286.9476 -149065.8797 299.4364 -183352.8274 -148976.8733 298.6127 53.7176 87.0048 558414.6524 24.1281 24.3421 PRESSURE: 933000 321.041 13.4776 78.3694 13.4782 228.367 165.691 78.3692 165.691 178.449 GPRESSURE: 933000 319.767 9.60763 107.527 66.1098 234.845 127.477 94.6809 132.329 288.667 PRESSAVG: 933000 -41.2112 14.3936 -18.2704 14.3937 36.2418 -1.66765 -18.2703 -1.66764 39.8765 GPRESSAVG: 933000 -41.0543 16.1563 -18.6382 14.348 36.3118 0.0121495 -18.7095 -5.20904 39.5948 TIMING: 933000 CPU: 2767.12, 0.00296387/step Wall: 2767.12, 0.00296387/step, 3.34835 hours remaining, 205.992188 MB of memory in use. ENERGY: 933000 745.2276 2111.4071 1925.8564 113.4492 -206564.4264 18358.4578 0.0000 0.0000 34202.3707 -149107.6577 298.6978 -183310.0284 -149011.2614 298.4261 242.6190 281.0933 557586.5319 11.6357 11.6175 PRESSURE: 933200 -182.072 -36.6474 49.8668 -36.648 68.3053 129.485 49.8661 129.485 43.389 GPRESSURE: 933200 -129.807 -84.3668 34.3761 128.867 94.0475 123.376 51.2104 112.35 58.3025 PRESSAVG: 933200 39.0449 -2.24318 25.2792 -2.24326 1.0946 -20.4086 25.2792 -20.4086 -31.2559 GPRESSAVG: 933200 40.9653 -2.28362 25.9156 -2.28859 -0.780895 -19.0009 25.62 -20.4454 -31.2034 TIMING: 933200 CPU: 2767.72, 0.00299038/step Wall: 2767.72, 0.00299038/step, 3.37813 hours remaining, 205.992188 MB of memory in use. ENERGY: 933200 720.4408 2137.6840 1934.2837 117.2975 -205897.3289 17724.9873 0.0000 0.0000 34183.2774 -149079.3582 298.5311 -183262.6356 -148978.6668 298.7569 -23.4593 7.5142 558620.3293 2.9612 2.9937 PRESSURE: 933400 92.9431 -25.9402 79.0386 -25.94 -98.9828 73.2419 79.0396 73.2405 -210.611 GPRESSURE: 933400 105.583 -33.9182 236.866 -29.7224 -54.1112 108.752 62.5939 130.136 -184.164 PRESSAVG: 933400 47.7911 -25.4532 65.4782 -25.4534 -16.0964 38.6928 65.4782 38.6927 -21.2595 GPRESSAVG: 933400 46.5395 -26.5999 65.6158 -24.3065 -14.7849 37.9389 65.782 42.268 -22.0439 TIMING: 933400 CPU: 2768.31, 0.00296409/step Wall: 2768.31, 0.00296409/step, 3.34827 hours remaining, 205.992188 MB of memory in use. ENERGY: 933400 755.4845 2104.9639 1939.0301 113.4361 -206444.5875 17910.7799 0.0000 0.0000 34397.6974 -149223.1956 300.4036 -183620.8930 -149119.7524 298.9143 -72.2168 -44.2309 557892.3230 3.4784 3.2369 PRESSURE: 933600 -1.40464 -42.2661 269.334 -42.268 12.6444 -51.5338 269.333 -51.5342 96.3021 GPRESSURE: 933600 25.6301 -3.22889 299.147 -79.6185 38.9057 42.2536 293.723 -67.236 133.918 PRESSAVG: 933600 15.3387 -48.1062 32.9382 -48.1062 -12.5089 29.526 32.9383 29.5261 -10.9363 GPRESSAVG: 933600 15.5203 -46.8564 34.3877 -47.9954 -12.4225 29.8954 31.9867 27.14 -11.046 TIMING: 933600 CPU: 2768.9, 0.00296446/step Wall: 2768.9, 0.00296446/step, 3.34852 hours remaining, 205.992188 MB of memory in use. ENERGY: 933600 770.6785 2094.2328 1949.9010 118.9235 -206080.1865 17852.4216 0.0000 0.0000 34177.9374 -149116.0917 298.4844 -183294.0291 -149015.6148 298.4670 35.8473 66.1513 558294.8329 -2.7021 -2.6494 PRESSURE: 933800 -84.0266 109.103 4.55237 109.104 76.2641 61.4216 4.55163 61.4216 55.9853 GPRESSURE: 933800 4.45113 97.1351 10.9227 108.419 83.1826 174.583 -13.1512 -15.7092 55.0688 PRESSAVG: 933800 9.48666 21.2111 37.6348 21.2111 20.9951 -12.3235 37.6348 -12.3236 -30.0326 GPRESSAVG: 933800 9.895 19.9874 36.5169 22.2021 20.3096 -13.4329 38.6923 -13.3462 -29.8278 TIMING: 933800 CPU: 2769.5, 0.00296349/step Wall: 2769.5, 0.00296349/step, 3.34727 hours remaining, 205.992188 MB of memory in use. ENERGY: 933800 753.7626 2045.1994 1935.0385 113.2490 -206272.3330 17813.7590 0.0000 0.0000 34401.1745 -149210.1500 300.4340 -183611.3245 -149108.3865 298.8363 16.0743 47.5675 556799.4276 0.1497 0.1256 PRESSURE: 934000 29.3607 -66.6361 -172.286 -66.6355 72.3735 -32.4976 -172.286 -32.4965 61.0691 GPRESSURE: 934000 64.9842 -15.5431 -190.477 -122.934 105.116 -1.28243 -98.0275 -20.0987 94.6056 PRESSAVG: 934000 -6.73812 27.1626 11.1898 27.1627 32.7936 37.1336 11.1898 37.1336 -39.6345 GPRESSAVG: 934000 -7.91915 28.5981 9.589 26.6508 34.2017 37.6397 11.9643 38.6348 -39.9079 TIMING: 934000 CPU: 2770.09, 0.0029737/step Wall: 2770.09, 0.0029737/step, 3.35863 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: 934000 767.9548 2081.1209 1922.0138 113.3419 -206376.7899 17843.6144 0.0000 0.0000 34324.7482 -149323.9959 299.7666 -183648.7441 -149223.7735 299.4430 54.2678 88.2354 555053.3477 -4.5264 -4.5418 PRESSURE: 934200 -177.132 -126.002 67.1661 -126.002 -17.8264 -18.0132 67.1652 -18.0141 -161.618 GPRESSURE: 934200 -138.057 -131.765 -35.9069 -170.392 65.5295 54.0083 104.642 8.41092 -185.233 PRESSAVG: 934200 -16.4782 0.617036 19.6185 0.617078 59.543 34.1676 19.6185 34.1675 -21.8624 GPRESSAVG: 934200 -16.0061 -1.96678 20.4081 1.47033 58.804 36.0643 18.5009 34.2533 -21.1804 TIMING: 934200 CPU: 2770.69, 0.00297327/step Wall: 2770.69, 0.00297327/step, 3.35798 hours remaining, 205.992188 MB of memory in use. ENERGY: 934200 771.7375 2077.8047 1930.7103 109.8939 -205978.8042 17560.8588 0.0000 0.0000 34320.2334 -149207.5655 299.7271 -183527.7990 -149113.6528 299.3893 -118.8589 -85.9203 556467.8303 7.0675 7.2058 PRESSURE: 934400 -113.207 52.9361 -109.543 52.9349 219.174 92.1579 -109.543 92.1607 40.2124 GPRESSURE: 934400 -41.4587 49.42 -114.796 82.8497 221.555 99.0185 -33.1316 154.921 66.6915 PRESSAVG: 934400 7.00547 -5.40074 -27.3535 -5.40066 44.5577 25.3038 -27.3535 25.3038 -57.3694 GPRESSAVG: 934400 7.5434 -3.71501 -26.9393 -6.21231 44.9419 23.9359 -28.4768 24.6389 -58.4465 TIMING: 934400 CPU: 2771.28, 0.00296706/step Wall: 2771.28, 0.00296706/step, 3.3508 hours remaining, 205.992188 MB of memory in use. ENERGY: 934400 767.4933 2066.3595 1936.0572 119.1321 -206193.0967 17898.4747 0.0000 0.0000 34146.7398 -149258.8402 298.2120 -183405.5800 -149159.2145 299.4097 48.7266 82.2626 556912.7308 -1.9354 -1.9871 PRESSURE: 934600 217.904 -17.9916 -51.0921 -17.9915 -40.4999 215.913 -51.0917 215.914 137.318 GPRESSURE: 934600 262.921 -46.2977 -57.1508 29.5058 50.5495 218.498 28.5036 204.472 97.0643 PRESSAVG: 934600 59.3452 -8.32963 -30.5706 -8.3296 -48.7425 46.6512 -30.5705 46.6512 -18.4218 GPRESSAVG: 934600 59.9966 -8.40734 -31.9223 -8.73154 -49.4738 47.5185 -29.242 47.1874 -18.7634 TIMING: 934600 CPU: 2771.87, 0.00297407/step Wall: 2771.87, 0.00297407/step, 3.35855 hours remaining, 205.992188 MB of memory in use. ENERGY: 934600 715.6713 2105.1364 1929.1659 106.0591 -206360.3040 17982.6139 0.0000 0.0000 34223.1343 -149298.5232 298.8791 -183521.6575 -149191.7071 299.1946 104.9074 136.8449 556214.1705 -2.6064 -2.7469 PRESSURE: 934800 -458.198 5.23208 158.127 5.23205 -256.644 44.5479 158.127 44.5485 -0.0523915 GPRESSURE: 934800 -363.186 43.8209 177.052 20.1619 -261.083 89.3917 86.0586 -22.25 11.4626 PRESSAVG: 934800 9.85174 -44.0776 6.34535 -44.0776 -37.325 36.3294 6.34526 36.3296 51.9354 GPRESSAVG: 934800 9.55533 -45.1827 7.26603 -44.1907 -37.0237 34.9265 8.43186 36.8591 52.1768 TIMING: 934800 CPU: 2772.47, 0.00297311/step Wall: 2772.47, 0.00297311/step, 3.35731 hours remaining, 205.992188 MB of memory in use. ENERGY: 934800 770.7017 2128.7787 1944.5397 113.5061 -205802.7360 17481.9883 0.0000 0.0000 33979.1766 -149384.0450 296.7486 -183363.2216 -149281.9510 298.5952 -238.2981 -204.2687 559096.3725 8.1540 8.2361 PRESSURE: 935000 -126.127 20.882 12.6812 20.882 -174.654 -24.3391 12.6818 -24.341 131.46 GPRESSURE: 935000 -65.2893 -67.9733 8.42473 5.56729 -131.676 -48.85 -12.6051 -60.5747 120.724 PRESSAVG: 935000 -32.547 -3.37055 1.80984 -3.37059 2.45023 37.6815 1.8098 37.6815 19.1824 GPRESSAVG: 935000 -33.1395 -2.83505 0.162796 -4.13253 3.24568 36.2541 0.248864 35.9823 18.5031 TIMING: 935000 CPU: 2773.07, 0.00299587/step Wall: 2773.07, 0.00299587/step, 3.38284 hours remaining, 205.992188 MB of memory in use. ENERGY: 935000 750.6981 2048.5055 1956.6499 113.3295 -206366.8585 17680.5345 0.0000 0.0000 34405.5398 -149411.6013 300.4721 -183817.1411 -149318.8504 299.2924 -56.4407 -25.4139 557270.3797 -3.6381 -3.7969 PRESSURE: 935200 272.009 -12.9422 -45.8532 -12.9416 -36.6673 73.5853 -45.8535 73.5853 196.226 GPRESSURE: 935200 272.264 26.1432 -89.3929 16.5725 -18.9774 2.60649 -24.1739 50.8976 262.532 PRESSAVG: 935200 12.9365 -15.7061 -18.5082 -15.706 29.5986 15.211 -18.5083 15.211 -14.9729 GPRESSAVG: 935200 13.3342 -15.619 -16.8844 -14.9932 29.286 15.2848 -18.1077 16.4847 -15.216 TIMING: 935200 CPU: 2773.66, 0.00298034/step Wall: 2773.66, 0.00298034/step, 3.36514 hours remaining, 205.992188 MB of memory in use. ENERGY: 935200 733.3497 2023.3954 1984.1006 122.3213 -206302.8730 17875.0880 0.0000 0.0000 34261.6622 -149302.9557 299.2156 -183564.6180 -149206.9855 298.9939 143.8558 171.9395 555670.9576 9.1874 9.1347 PRESSURE: 935400 -27.4022 -95.3244 -32.8934 -95.3244 -244.483 28.8022 -32.8927 28.8018 -55.5475 GPRESSURE: 935400 28.8373 -109.59 -77.5792 -72.7756 -178.586 102.585 29.3387 45.4831 -93.7656 PRESSAVG: 935400 42.8963 -48.5412 22.7698 -48.5412 -57.9808 -17.6269 22.7699 -17.6268 -3.81859 GPRESSAVG: 935400 42.2146 -49.6084 22.8757 -47.9318 -57.8396 -17.0468 21.0083 -17.7166 -3.88739 TIMING: 935400 CPU: 2774.26, 0.00299624/step Wall: 2774.26, 0.00299624/step, 3.38292 hours remaining, 205.992188 MB of memory in use. ENERGY: 935400 726.5325 2052.0309 1952.3428 115.0119 -206103.3857 17536.8920 0.0000 0.0000 34343.3242 -149377.2514 299.9288 -183720.5756 -149278.3659 298.8047 -109.1444 -81.1713 557477.6220 -6.3010 -6.5041 PRESSURE: 935600 43.4625 47.0748 36.0828 47.0747 69.0665 -123.079 36.0825 -123.081 22.2882 GPRESSURE: 935600 38.5646 3.37798 -22.1773 51.5994 140.088 -160.198 98.0731 -71.2634 38.4337 PRESSAVG: 935600 -1.26082 -29.1145 15.3343 -29.1145 -80.1548 20.9259 15.3343 20.9257 74.3053 GPRESSAVG: 935600 -1.29418 -29.6106 14.2531 -29.1127 -81.5655 19.7489 17.8064 21.6206 75.4602 TIMING: 935600 CPU: 2774.86, 0.00298846/step Wall: 2774.86, 0.00298846/step, 3.37397 hours remaining, 205.992188 MB of memory in use. ENERGY: 935600 754.7924 2136.4799 1948.5527 110.1111 -206617.9768 17846.9401 0.0000 0.0000 34416.4502 -149404.6506 300.5674 -183821.1007 -149301.2691 300.1769 44.9391 72.3620 557846.4983 -2.3701 -2.4665 PRESSURE: 935800 84.3319 92.9462 20.8145 92.9474 -49.8936 41.6122 20.8152 41.6129 219.586 GPRESSURE: 935800 120.095 36.2468 32.3127 122.511 -27.0988 33.2957 42.1346 105.846 245.139 PRESSAVG: 935800 -15.1656 15.8786 6.39344 15.8786 -33.9563 25.0255 6.39351 25.0255 51.5015 GPRESSAVG: 935800 -15.506 15.7651 5.89454 14.9951 -33.3652 25.5464 5.56385 24.582 50.6404 TIMING: 935800 CPU: 2775.46, 0.00298918/step Wall: 2775.46, 0.00298918/step, 3.37462 hours remaining, 205.992188 MB of memory in use. ENERGY: 935800 768.6775 2069.9974 1935.1101 126.7802 -206450.9962 18008.6344 0.0000 0.0000 34120.8037 -149420.9928 297.9855 -183541.7965 -149330.7340 298.8772 84.6746 112.7120 556990.3813 0.7932 0.5897 PRESSURE: 936000 -156.154 77.5129 200.216 77.5135 -84.2113 41.4171 200.216 41.4183 71.4101 GPRESSURE: 936000 -110.385 35.2554 273.717 -71.4298 -92.9063 -6.15688 248.109 58.1195 117.404 PRESSAVG: 936000 -8.26667 5.99803 19.3642 5.99815 24.5935 -2.43282 19.3643 -2.4327 -7.65975 GPRESSAVG: 936000 -7.25568 7.15725 21.6951 6.72771 23.4025 -1.40913 16.6533 -2.87777 -7.77973 TIMING: 936000 CPU: 2776.05, 0.00297704/step Wall: 2776.05, 0.00297704/step, 3.36075 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: 936000 774.1690 2081.2598 1937.6654 110.3363 -206186.5016 17796.9731 0.0000 0.0000 34065.4188 -149420.6792 297.5018 -183486.0979 -149326.5783 299.0135 -56.3183 -28.6294 555929.5723 2.8890 2.7890 PRESSURE: 936200 -11.5299 -47.9799 -49.2153 -47.9799 225.173 -198.012 -49.2153 -198.013 82.1619 GPRESSURE: 936200 90.8926 -65.413 -54.451 -35.3548 224.4 -183.568 7.87163 -213.74 74.8366 PRESSAVG: 936200 -43.6217 -5.27099 15.2596 -5.27089 72.2408 -11.7672 15.2596 -11.7672 -32.8447 GPRESSAVG: 936200 -43.4464 -4.73522 13.3695 -5.29128 72.0317 -14.909 17.9852 -10.3163 -33.2475 TIMING: 936200 CPU: 2776.65, 0.00295476/step Wall: 2776.65, 0.00295476/step, 3.33544 hours remaining, 205.992188 MB of memory in use. ENERGY: 936200 757.2426 2100.0060 1945.7552 123.2192 -206503.7113 17968.2661 0.0000 0.0000 34123.2821 -149485.9401 298.0071 -183609.2222 -149388.1865 299.0125 98.6017 130.0429 556639.8511 -1.4085 -1.5541 LDB: ============= START OF LOAD BALANCING ============== 2780.07 LDB: ============== END OF LOAD BALANCING =============== 2780.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2780.07 LDB: ============= START OF LOAD BALANCING ============== 2780.37 LDB: Largest compute 4846 load 0.030100 is 25.6% of average load 0.117766 LDB: Average compute 0.001751 is 1.5% of average load 0.117766 LDB: TIME 2780.37 LOAD: AVG 0.117766 MAX 0.19664 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.309 MB LDB: TIME 2780.37 LOAD: AVG 0.117766 MAX 0.19664 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: TIME 2780.37 LOAD: AVG 0.117766 MAX 0.19664 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2780.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 2780.37 Info: useSync: 0 useProxySync: 0 PRESSURE: 936400 -19.7315 289.763 135.78 289.762 -65.4488 41.8726 135.78 41.8721 -166.879 GPRESSURE: 936400 111.968 221.683 143.119 291.884 -90.8364 120.607 5.51881 18.6887 -175.789 PRESSAVG: 936400 -0.959149 -25.9231 63.0141 -25.9232 9.31507 -26.0546 63.0141 -26.0546 25.7383 GPRESSAVG: 936400 -2.03596 -25.6052 63.0323 -26.5331 9.68303 -23.2523 61.8163 -28.6103 26.2966 TIMING: 936400 CPU: 2777.24, 0.00299689/step Wall: 2777.24, 0.00299689/step, 3.38283 hours remaining, 206.250000 MB of memory in use. ENERGY: 936400 789.9806 2124.3025 1944.2206 105.2421 -206686.0019 17999.6266 0.0000 0.0000 34104.8256 -149617.8039 297.8459 -183722.6295 -149520.8298 298.2770 -84.0199 -51.5525 555600.4833 11.3647 11.3146 PRESSURE: 936600 -348.667 85.8268 -38.1999 85.8279 -275.596 69.4639 -38.2001 69.4627 -271.183 GPRESSURE: 936600 -302.097 197.465 16.1162 15.98 -276.908 71.9808 41.4086 84.2761 -213.331 PRESSAVG: 936600 16.6352 -26.1131 -5.90559 -26.1129 -14.7091 -30.1911 -5.90558 -30.191 -28.4069 GPRESSAVG: 936600 17.3883 -25.2479 -5.50182 -27.0783 -15.3889 -28.2473 -5.37468 -31.1681 -28.426 TIMING: 936600 CPU: 2777.84, 0.00297986/step Wall: 2777.84, 0.00297986/step, 3.36344 hours remaining, 206.449219 MB of memory in use. ENERGY: 936600 751.8618 2142.4659 1946.7699 106.8308 -206396.8421 17438.1036 0.0000 0.0000 34363.9650 -149646.8453 300.1091 -184010.8102 -149548.0645 298.5033 -298.4819 -264.1120 558140.4126 -8.8269 -8.8089 PRESSURE: 936800 -35.8024 72.4036 58.1926 72.4029 -17.4921 -33.5207 58.1923 -33.519 210.212 GPRESSURE: 936800 33.3575 73.1332 -44.5749 11.9406 -9.49615 -82.9605 64.8971 11.642 234.823 PRESSAVG: 936800 -2.8283 -17.7853 -44.235 -17.7852 29.743 -44.4352 -44.235 -44.4351 -36.338 GPRESSAVG: 936800 -3.90427 -18.6061 -44.4054 -16.1259 30.9781 -43.0426 -43.2513 -44.9195 -36.865 TIMING: 936800 CPU: 2778.43, 0.00295814/step Wall: 2778.43, 0.00295814/step, 3.33875 hours remaining, 206.449219 MB of memory in use. ENERGY: 936800 782.7765 2077.6973 1956.7195 112.4538 -206662.7345 17963.7660 0.0000 0.0000 34004.9309 -149764.3904 296.9735 -183769.3213 -149661.2234 297.8589 52.3060 86.2281 556405.0957 -3.1411 -3.2637 PRESSURE: 937000 -131.064 42.6034 79.3896 42.6033 -181.188 -81.1447 79.3899 -81.1459 -18.4297 GPRESSURE: 937000 -115.354 41.2018 62.4622 24.8528 -134.079 -35.4667 117.599 -90.4002 6.91953 PRESSAVG: 937000 34.873 51.6127 -47.5514 51.6126 -57.4516 -10.3355 -47.5515 -10.3356 -41.773 GPRESSAVG: 937000 34.1648 52.662 -47.2934 49.0402 -57.122 -12.1441 -48.5333 -10.4016 -42.1985 TIMING: 937000 CPU: 2779.03, 0.00296812/step Wall: 2779.03, 0.00296812/step, 3.34985 hours remaining, 206.449219 MB of memory in use. ENERGY: 937000 747.0816 2096.6027 1941.3403 108.9710 -205911.5413 17484.4299 0.0000 0.0000 34049.0171 -149484.0986 297.3585 -183533.1157 -149390.7075 297.7233 -110.2271 -80.8376 557058.3689 -21.4505 -21.7186 PRESSURE: 937200 -43.2022 -66.2175 23.5219 -66.2166 -168.411 -111.443 23.5218 -111.444 -69.6801 GPRESSURE: 937200 -30.4829 -45.9104 54.5829 -87.4319 -139.788 -16.6631 -49.5996 -157.511 -14.3032 PRESSAVG: 937200 -54.8383 -14.2478 -55.0017 -14.2478 83.0808 -38.2044 -55.0017 -38.2044 -4.3569 GPRESSAVG: 937200 -54.2355 -14.483 -54.6147 -13.6123 81.8205 -40.2274 -56.0472 -37.8995 -3.81267 TIMING: 937200 CPU: 2779.62, 0.00296926/step Wall: 2779.62, 0.00296926/step, 3.35097 hours remaining, 206.449219 MB of memory in use. ENERGY: 937200 748.8841 2079.7458 1974.7790 117.2412 -206330.6428 17770.4527 0.0000 0.0000 34168.5271 -149471.0129 298.4022 -183639.5400 -149368.5292 297.8207 -93.7646 -61.5249 556975.9578 7.9618 7.9241 PRESSURE: 937400 -285.268 43.2568 -30.8227 43.2562 8.63623 -12.1051 -30.8232 -12.1056 -210.599 GPRESSURE: 937400 -263.925 67.2561 -21.4935 42.7571 64.5663 -50.8688 26.0559 -86.9902 -198.346 PRESSAVG: 937400 -49.4778 56.0211 -7.16416 56.0211 30.7528 -56.7509 -7.16418 -56.751 -11.4873 GPRESSAVG: 937400 -49.8214 55.9299 -8.02983 56.7005 30.9202 -56.5215 -4.78799 -54.4997 -10.8896 TIMING: 937400 CPU: 2780.21, 0.00294244/step Wall: 2780.21, 0.00294244/step, 3.32054 hours remaining, 206.449219 MB of memory in use. ENERGY: 937400 770.3135 2094.0996 1947.5175 104.7203 -206318.2175 17684.7364 0.0000 0.0000 34065.0529 -149651.7773 297.4986 -183716.8302 -149552.9189 297.9972 -162.4101 -132.5684 557517.1498 -10.0708 -9.9303 PRESSURE: 937600 -90.5002 -118.128 -153.537 -118.127 -108.294 -34.8117 -153.537 -34.8101 80.5557 GPRESSURE: 937600 -114.049 -25.3404 -183.225 -114.404 -7.56284 -52.943 -138.541 8.70753 96.9556 PRESSAVG: 937600 -47.8349 -36.4319 -9.3491 -36.4319 68.052 -30.7402 -9.34916 -30.7402 -7.18299 GPRESSAVG: 937600 -47.9085 -36.4958 -9.47514 -36.9576 69.3752 -28.831 -11.1482 -34.9541 -7.9712 TIMING: 937600 CPU: 2780.8, 0.00295259/step Wall: 2780.8, 0.00295259/step, 3.33183 hours remaining, 206.449219 MB of memory in use. ENERGY: 937600 734.7707 2144.1293 1912.1290 114.8653 -206596.4675 17860.8442 0.0000 0.0000 34108.0229 -149721.7061 297.8738 -183829.7290 -149625.3137 297.7659 -39.4129 -8.2188 557049.6462 4.3447 4.4985 PRESSURE: 937800 129.982 48.0295 57.3425 48.032 -62.1014 88.5333 57.3449 88.5337 -5.49055 GPRESSURE: 937800 168.093 44.8992 97.8733 11.4306 -49.9093 21.324 -27.4002 136.679 56.3094 PRESSAVG: 937800 28.3341 22.472 -1.6266 22.4721 28.0456 -12.1476 -1.62654 -12.1476 5.01559 GPRESSAVG: 937800 28.1425 22.3665 -0.832822 22.3603 27.1315 -13.52 -2.53986 -9.70397 5.79943 TIMING: 937800 CPU: 2781.39, 0.00297122/step Wall: 2781.39, 0.00297122/step, 3.35269 hours remaining, 206.449219 MB of memory in use. ENERGY: 937800 737.4068 2109.3155 1937.7257 113.4337 -206303.7066 17841.0239 0.0000 0.0000 34126.1933 -149438.6076 298.0325 -183564.8009 -149338.9232 299.1880 20.7967 58.1642 557752.3465 20.4651 20.3578 PRESSURE: 938000 -5.18838 -6.0662 -8.21894 -6.06691 81.1055 53.7414 -8.22052 53.7433 -73.2281 GPRESSURE: 938000 26.6678 -15.1917 -79.4634 -6.6467 97.4225 -35.7463 -1.85611 157.445 -29.0621 PRESSAVG: 938000 17.3429 24.4575 11.4907 24.4576 -38.8813 51.3722 11.4907 51.3721 1.38464 GPRESSAVG: 938000 18.8049 22.9368 9.87502 24.0529 -38.7174 51.8585 13.0459 50.0437 -0.146687 TIMING: 938000 CPU: 2781.99, 0.0029686/step Wall: 2781.99, 0.0029686/step, 3.34957 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: 938000 738.8097 2111.1580 1952.1572 107.4988 -206266.5252 17917.2154 0.0000 0.0000 34131.3032 -149308.3830 298.0772 -183439.6862 -149213.7729 299.0381 0.8963 31.6761 557931.4998 -6.7179 -6.6864 PRESSURE: 938200 -384.99 -121.946 53.0368 -121.946 182.213 -242.379 53.0374 -242.378 -281.176 GPRESSURE: 938200 -361.309 -108.267 132.012 -125.539 215.08 -262.051 29.5268 -242.744 -236.366 PRESSAVG: 938200 -15.4297 -1.00623 -5.67389 -1.0062 25.2032 -2.10666 -5.67385 -2.10665 -53.3094 GPRESSAVG: 938200 -16.897 -1.8507 -5.79226 0.343413 24.7415 -2.63799 -5.84188 -2.04064 -51.2055 TIMING: 938200 CPU: 2782.58, 0.00295931/step Wall: 2782.58, 0.00295931/step, 3.33892 hours remaining, 206.449219 MB of memory in use. ENERGY: 938200 725.3870 2090.1201 1923.6126 116.2153 -206485.3856 17745.7724 0.0000 0.0000 34380.2806 -149503.9975 300.2515 -183884.2782 -149412.0038 299.3147 -161.3177 -127.5316 557266.8176 -14.5120 -14.4537 PRESSURE: 938400 30.8076 4.75292 80.1436 4.75306 -240.313 71.3237 80.1436 71.3241 64.89 GPRESSURE: 938400 71.7425 -33.4393 93.246 -23.7283 -228.088 93.7175 15.8242 -8.2014 118.657 PRESSAVG: 938400 18.7407 -6.52154 -18.1431 -6.52162 60.7808 -21.7575 -18.1432 -21.7576 -50.6306 GPRESSAVG: 938400 18.3 -5.90622 -18.7698 -6.41822 61.0776 -21.5028 -17.9608 -21.8641 -50.8207 TIMING: 938400 CPU: 2783.17, 0.00297429/step Wall: 2783.17, 0.00297429/step, 3.35566 hours remaining, 206.449219 MB of memory in use. ENERGY: 938400 751.0468 2125.9532 1949.1549 100.6541 -206297.1888 17937.2477 0.0000 0.0000 34145.3872 -149287.7449 298.2002 -183433.1321 -149197.3050 299.4943 -48.2052 -12.5628 557938.0260 9.6303 9.5190 PRESSURE: 938600 -334.989 22.741 145.26 22.7409 -247.11 -97.9134 145.261 -97.9133 -306.729 GPRESSURE: 938600 -323.703 7.92221 171.985 103.637 -204.547 -99.8026 7.68323 -173.867 -270.547 PRESSAVG: 938600 -6.25154 1.46 40.1468 1.46003 52.9567 -61.563 40.1468 -61.5631 -55.9012 GPRESSAVG: 938600 -5.01827 3.21255 41.3813 -1.15681 51.6071 -60.7595 41.0025 -61.6408 -56.1919 TIMING: 938600 CPU: 2783.77, 0.00298517/step Wall: 2783.77, 0.00298517/step, 3.36776 hours remaining, 206.449219 MB of memory in use. ENERGY: 938600 725.8267 2145.4064 1917.0233 125.2160 -205523.7389 17321.8626 0.0000 0.0000 34157.3299 -149131.0740 298.3045 -183288.4039 -149038.5587 298.8493 -296.2758 -266.2659 559950.4570 -3.0654 -3.2010 PRESSURE: 938800 -168.59 194.835 115.873 194.835 -57.4527 -39.4886 115.872 -39.4882 -36.1224 GPRESSURE: 938800 -145.503 175.446 83.3236 211.351 -27.8252 29.9046 111.438 -19.0289 5.63219 PRESSAVG: 938800 -55.5753 -5.47152 7.222 -5.47154 69.0001 -62.387 7.22202 -62.3869 -21.1933 GPRESSAVG: 938800 -56.2644 -6.68913 6.55531 -3.87915 69.2692 -65.9484 5.10593 -59.8275 -21.5981 TIMING: 938800 CPU: 2784.36, 0.00296976/step Wall: 2784.36, 0.00296976/step, 3.35022 hours remaining, 206.449219 MB of memory in use. ENERGY: 938800 743.5721 2123.0090 1940.9080 100.3819 -206358.0588 17850.3399 0.0000 0.0000 34326.8808 -149272.9670 299.7852 -183599.8478 -149182.2831 299.1418 -87.3884 -55.8986 557722.2945 -2.5895 -2.8644 PRESSURE: 939000 114.522 14.3562 87.067 14.3562 209.976 -84.7633 87.0681 -84.7643 -172.672 GPRESSURE: 939000 134.826 -51.095 52.6201 7.11835 217.435 -109.553 118.639 -107.185 -96.524 PRESSAVG: 939000 -56.9138 -20.5247 5.72384 -20.5247 20.1443 -35.033 5.72383 -35.033 44.4003 GPRESSAVG: 939000 -56.8721 -18.6977 5.93268 -22.3341 20.1655 -31.5323 6.61551 -35.5839 44.4147 TIMING: 939000 CPU: 2784.96, 0.00297782/step Wall: 2784.96, 0.00297782/step, 3.35914 hours remaining, 206.449219 MB of memory in use. ENERGY: 939000 741.7984 2087.5619 1922.5018 118.4643 -206412.4874 17988.5620 0.0000 0.0000 34366.4883 -149187.1107 300.1311 -183553.5990 -149088.5945 299.0570 50.6086 85.2457 558429.5642 2.5436 2.5693 PRESSURE: 939200 -85.7619 83.833 50.1895 83.8345 42.9415 28.7697 50.1886 28.7689 21.5777 GPRESSURE: 939200 -8.32149 32.9972 40.1254 80.1122 94.7092 -58.5903 88.0857 -16.168 4.12186 PRESSAVG: 939200 -22.6191 -36.666 -1.43155 -36.6659 1.05123 17.6605 -1.43152 17.6605 36.0549 GPRESSAVG: 939200 -22.1043 -36.9192 -2.36497 -35.0827 1.9391 14.6788 1.18801 18.4652 34.9315 TIMING: 939200 CPU: 2785.56, 0.00299157/step Wall: 2785.56, 0.00299157/step, 3.37449 hours remaining, 206.449219 MB of memory in use. ENERGY: 939200 724.3535 2068.2989 1964.1914 120.9708 -206068.4200 17792.0809 0.0000 0.0000 34308.2305 -149090.2940 299.6223 -183398.5245 -148994.4790 299.2521 -7.0809 30.1699 558511.7222 4.8290 4.9221 PRESSURE: 939400 -237.486 22.5931 -94.0946 22.5933 5.70167 27.3319 -94.0952 27.3328 -163.065 GPRESSURE: 939400 -229.75 64.6827 -59.8836 10.4248 36.8074 70.2639 -145.742 45.8705 -115.822 PRESSAVG: 939400 -34.2687 -1.29023 36.7706 -1.29025 12.4198 40.8892 36.7706 40.8894 0.820278 GPRESSAVG: 939400 -33.5844 -2.16095 37.1339 -0.461084 9.99533 41.8802 33.6277 39.7331 2.35073 TIMING: 939400 CPU: 2786.16, 0.00299606/step Wall: 2786.16, 0.00299606/step, 3.37938 hours remaining, 206.449219 MB of memory in use. ENERGY: 939400 728.4962 2098.3132 1968.5108 122.3518 -205863.8473 17584.4675 0.0000 0.0000 34231.7931 -149129.9146 298.9548 -183361.7077 -149042.0605 299.0546 -131.6165 -102.9216 558548.6845 -7.0095 -7.0794 PRESSURE: 939600 57.3639 -115.545 -59.9108 -115.545 -155.945 145.346 -59.9099 145.347 134.147 GPRESSURE: 939600 57.7204 -81.1275 -87.3646 -80.7837 -116.446 195.918 -52.0658 154.731 175.573 PRESSAVG: 939600 -21.6664 55.4865 -8.16786 55.4866 9.11558 -31.7334 -8.16787 -31.7334 75.0472 GPRESSAVG: 939600 -23.3704 54.1842 -7.05557 54.4288 9.84017 -31.7658 -9.05632 -30.9789 75.8088 TIMING: 939600 CPU: 2786.76, 0.00299173/step Wall: 2786.76, 0.00299173/step, 3.37434 hours remaining, 206.449219 MB of memory in use. ENERGY: 939600 767.3757 2096.8042 1947.8418 116.5801 -206206.0122 17852.3479 0.0000 0.0000 34313.8333 -149111.2292 299.6712 -183425.0625 -149024.6815 299.9655 11.8552 38.9494 558821.8391 20.8322 20.7595 PRESSURE: 939800 -185.011 12.0112 -86.5311 12.0123 -272.145 47.1881 -86.5309 47.189 -95.9397 GPRESSURE: 939800 -227.758 0.727057 -91.8402 4.30738 -252.238 -0.524329 -17.2546 -88.2463 16.7021 PRESSAVG: 939800 13.7862 20.5648 -5.34075 20.5648 -74.0306 38.864 -5.3408 38.8639 33.5793 GPRESSAVG: 939800 13.0919 22.1289 -6.027 20.4132 -74.1138 38.1869 -2.95043 37.7332 33.9292 TIMING: 939800 CPU: 2787.35, 0.00295638/step Wall: 2787.35, 0.00295638/step, 3.3343 hours remaining, 206.449219 MB of memory in use. ENERGY: 939800 792.9563 2077.6415 1956.9518 127.3673 -206123.4645 17702.8231 0.0000 0.0000 34448.2059 -149017.5187 300.8448 -183465.7246 -148922.0041 299.2378 -184.3654 -154.4314 558563.8619 -8.8884 -9.0309 PRESSURE: 940000 126.981 -115.126 -132.529 -115.126 108.781 13.625 -132.528 13.6265 -254.97 GPRESSURE: 940000 208.691 -116.722 -132.693 -156.799 134.103 72.866 -111.371 -27.8051 -269.587 PRESSAVG: 940000 31.4329 10.8248 26.2928 10.8249 -6.47694 16.6448 26.2928 16.6448 -25.894 GPRESSAVG: 940000 32.8753 12.9034 26.7908 8.09211 -6.13056 15.2256 25.1743 18.3607 -28.2495 TIMING: 940000 CPU: 2787.94, 0.00296531/step Wall: 2787.94, 0.00296531/step, 3.34421 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: 940000 758.7115 2093.8524 1952.2573 104.0293 -206161.5834 17736.2543 0.0000 0.0000 34414.7901 -149101.6885 300.5529 -183516.4786 -149005.1652 299.5690 -6.4023 24.4025 556541.0624 -0.3127 -0.5016 PRESSURE: 940200 -139.444 223.159 -5.81231 223.157 -364.807 -45.1731 -5.81111 -45.1726 -151.743 GPRESSURE: 940200 -92.2881 308.015 74.2257 95.3151 -327.22 -89.4346 -74.2155 -58.5011 -140.336 PRESSAVG: 940200 61.1233 73.5327 -4.19989 73.5327 -25.2875 16.5543 -4.19994 16.5544 -16.7738 GPRESSAVG: 940200 61.3912 72.3535 -4.26119 75.5551 -26.088 19.2276 -4.89579 15.0458 -16.034 TIMING: 940200 CPU: 2788.54, 0.00299516/step Wall: 2788.54, 0.00299516/step, 3.37771 hours remaining, 206.449219 MB of memory in use. ENERGY: 940200 776.6296 2104.3101 1933.9234 105.3464 -205675.2692 17422.9169 0.0000 0.0000 34366.9676 -148965.1752 300.1353 -183332.1428 -148867.2869 299.5514 -218.6649 -186.6148 557761.8892 6.3540 6.4231 LDB: ============= START OF LOAD BALANCING ============== 2791.97 LDB: ============== END OF LOAD BALANCING =============== 2791.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2791.97 LDB: ============= START OF LOAD BALANCING ============== 2792.27 LDB: Largest compute 4846 load 0.030579 is 25.9% of average load 0.117871 LDB: Average compute 0.001742 is 1.5% of average load 0.117871 LDB: TIME 2792.28 LOAD: AVG 0.117871 MAX 0.198796 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 2792.28 LOAD: AVG 0.117871 MAX 0.198796 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.57 MB LDB: TIME 2792.28 LOAD: AVG 0.117871 MAX 0.198796 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.57 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: 940400 -145.119 71.0853 -78.8594 71.0868 -22.9801 137.539 -78.8605 137.539 130.529 GPRESSURE: 940400 -176.908 163.522 -134.223 55.1242 41.9777 63.4204 -86.2294 176.064 195.477 PRESSAVG: 940400 -10.9642 2.69915 -9.25409 2.69917 -29.2893 11.6256 -9.25408 11.6257 52.1143 GPRESSAVG: 940400 -10.9817 -0.832654 -10.3637 3.43415 -28.4462 9.70058 -9.20426 13.4803 51.1162 TIMING: 940400 CPU: 2789.15, 0.00307508/step Wall: 2789.15, 0.00307508/step, 3.46766 hours remaining, 206.304688 MB of memory in use. ENERGY: 940400 726.0025 2179.5041 1922.9968 114.5651 -206094.0998 17783.1510 0.0000 0.0000 34302.0251 -149065.8554 299.5681 -183367.8805 -148969.1946 299.6726 -12.5234 20.1822 557098.9967 3.9536 3.8961 PRESSURE: 940600 -11.2415 -84.9703 -68.503 -84.9704 -205.554 79.8602 -68.5041 79.8598 -265.856 GPRESSURE: 940600 45.1956 -13.939 -118.482 -162.056 -174.19 87.0898 34.2375 47.677 -236.561 PRESSAVG: 940600 5.45107 34.5724 -42.0594 34.5724 5.80931 -3.68644 -42.0594 -3.68635 -53.8548 GPRESSAVG: 940600 5.11563 39.0845 -42.9777 31.7598 5.53522 -3.08668 -41.9693 -5.25145 -53.2922 TIMING: 940600 CPU: 2789.76, 0.00301477/step Wall: 2789.76, 0.00301477/step, 3.39949 hours remaining, 206.304688 MB of memory in use. ENERGY: 940600 736.9875 2152.0721 1966.5317 112.0081 -205850.9944 17554.8435 0.0000 0.0000 34208.4907 -149120.0608 298.7513 -183328.5516 -149021.6699 299.3033 -160.8838 -121.8517 557947.3240 -14.1981 -14.2138 PRESSURE: 940800 309.155 -214.341 153.999 -214.342 -25.125 98.5738 153.999 98.5745 195.233 GPRESSURE: 940800 352.083 -185.667 152.022 -169.571 14.4451 -31.3527 66.7768 90.7249 207.146 PRESSAVG: 940800 -22.8851 -37.7395 -26.4599 -37.7395 84.8716 0.758314 -26.46 0.758503 -55.8589 GPRESSAVG: 940800 -23.6426 -39.4392 -24.0153 -35.7917 85.7802 0.101642 -27.2369 1.62262 -55.6376 TIMING: 940800 CPU: 2790.36, 0.00302485/step Wall: 2790.36, 0.00302485/step, 3.41069 hours remaining, 206.304688 MB of memory in use. ENERGY: 940800 695.8927 2163.7977 1922.1219 126.0115 -206361.6457 17866.9267 0.0000 0.0000 34403.8535 -149183.0416 300.4574 -183586.8952 -149085.8660 298.9749 159.7540 191.2247 555843.4111 2.0426 2.1667 PRESSURE: 941000 -72.5172 -20.7543 36.2164 -20.7548 1.32204 79.2488 36.2164 79.2498 -312.416 GPRESSURE: 941000 -84.0876 -10.9263 60.4882 -41.29 29.981 94.9237 0.0212074 48.3916 -234.722 PRESSAVG: 941000 -72.3072 -80.3457 -21.0217 -80.3458 52.347 -0.107371 -21.0217 -0.107352 48.7964 GPRESSAVG: 941000 -71.3147 -81.7471 -22.726 -79.6273 49.9952 0.895945 -20.8813 -1.83906 49.9783 TIMING: 941000 CPU: 2790.96, 0.00299875/step Wall: 2790.96, 0.00299875/step, 3.3811 hours remaining, 206.304688 MB of memory in use. ENERGY: 941000 755.1758 2068.5126 1951.3190 105.6072 -205903.3686 17530.2938 0.0000 0.0000 34359.7022 -149132.7581 300.0718 -183492.4603 -149027.0775 298.9748 -127.8703 -96.2761 558229.9702 9.6121 9.5529 PRESSURE: 941200 225.245 -49.0532 27.1828 -49.0527 268.648 -75.1151 27.1839 -75.1145 255.287 GPRESSURE: 941200 252.9 -82.6086 52.183 -9.05619 374.623 -95.4732 28.0775 -50.5734 229.383 PRESSAVG: 941200 -9.17579 18.5872 -25.286 18.5873 60.0039 49.2865 -25.2861 49.2866 -31.6496 GPRESSAVG: 941200 -9.46101 18.8551 -24.7804 18.5105 61.9141 48.7451 -25.1565 50.1085 -33.1034 TIMING: 941200 CPU: 2791.56, 0.00298625/step Wall: 2791.56, 0.00298625/step, 3.36683 hours remaining, 206.304688 MB of memory in use. ENERGY: 941200 723.7544 2105.0297 1956.0846 109.0504 -206627.0932 18290.6559 0.0000 0.0000 34330.5340 -149111.9841 299.8171 -183442.5181 -149013.0369 299.6059 249.7269 285.6354 557233.9532 6.3928 6.4499 PRESSURE: 941400 369.498 -31.604 28.0941 -31.6043 38.6629 -63.0474 28.0922 -63.0467 89.9539 GPRESSURE: 941400 334.668 80.7238 0.272552 -77.4505 143.834 -47.7462 20.5483 -13.0898 124.076 PRESSAVG: 941400 -18.5948 23.7854 -44.3133 23.7854 -0.43616 -5.86461 -44.3134 -5.86466 -3.27358 GPRESSAVG: 941400 -18.1007 25.0715 -43.4666 22.882 -0.807286 -4.54206 -44.1298 -6.25303 -3.09866 TIMING: 941400 CPU: 2792.15, 0.0029611/step Wall: 2792.15, 0.0029611/step, 3.33831 hours remaining, 206.304688 MB of memory in use. ENERGY: 941400 746.7350 2066.8757 1949.9526 114.1904 -206508.9930 18240.0795 0.0000 0.0000 34218.2915 -149172.8683 298.8369 -183391.1598 -149079.6544 298.6848 166.0384 200.8594 558085.4159 -7.4348 -7.3355 PRESSURE: 941600 80.3592 -52.569 28.1325 -52.5676 -115.336 95.551 28.1328 95.5517 -215.685 GPRESSURE: 941600 168.718 -19.7184 -27.7071 -8.05805 -178.961 121.649 58.3209 155.149 -141.988 PRESSAVG: 941600 6.53097 -43.6611 23.8586 -43.6612 34.0043 -32.5347 23.8586 -32.5347 -42.1491 GPRESSAVG: 941600 5.34302 -44.4865 22.3514 -41.8945 33.3177 -35.6459 24.0768 -29.8519 -40.8531 TIMING: 941600 CPU: 2792.74, 0.00296104/step Wall: 2792.74, 0.00296104/step, 3.33808 hours remaining, 206.304688 MB of memory in use. ENERGY: 941600 737.6697 2085.1178 1931.1696 113.0376 -206171.6563 17806.8201 0.0000 0.0000 34122.9041 -149374.9374 298.0038 -183497.8415 -149278.0956 298.3035 -83.5539 -50.7436 558678.7624 -0.5380 -0.7308 PRESSURE: 941800 -35.4497 -7.08242 29.4452 -7.08332 -182.415 -67.7753 29.4457 -67.773 105.399 GPRESSURE: 941800 -30.8836 -5.73416 43.0856 48.5973 -85.3483 -53.6213 35.124 -87.8144 106.432 PRESSAVG: 941800 19.1272 69.7998 7.38814 69.7998 -61.3885 32.7188 7.38813 32.7189 52.5303 GPRESSAVG: 941800 19.605 68.7931 7.44468 67.4052 -61.1451 36.3414 7.27452 27.525 51.6726 TIMING: 941800 CPU: 2793.33, 0.00293762/step Wall: 2793.33, 0.00293762/step, 3.31151 hours remaining, 206.304688 MB of memory in use. ENERGY: 941800 742.8755 2101.4737 1969.9453 122.5709 -206321.8442 17738.3966 0.0000 0.0000 34301.4513 -149345.1309 299.5631 -183646.5822 -149243.0090 298.7381 -37.4885 -3.2667 558285.1161 3.4230 3.3775 PRESSURE: 942000 -59.4239 -73.6609 -6.82175 -73.6606 -117.842 116.949 -6.82234 116.948 127.828 GPRESSURE: 942000 -87.5185 -40.4125 64.4965 -90.8579 -51.3972 97.8058 -28.1153 145.614 173.637 PRESSAVG: 942000 7.54937 -2.39606 -40.8193 -2.39604 -46.3764 -19.5919 -40.8193 -19.592 27 GPRESSAVG: 942000 7.81906 -2.36702 -40.646 -0.181156 -46.5828 -19.7876 -39.8811 -17.4769 26.8826 TIMING: 942000 CPU: 2793.92, 0.00295498/step Wall: 2793.92, 0.00295498/step, 3.33092 hours remaining, 206.304688 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: 942000 751.2793 2101.9898 1945.3237 116.0930 -206357.1053 17878.8724 0.0000 0.0000 34289.7683 -149273.7788 299.4611 -183563.5471 -149177.7020 299.0044 -16.4793 11.5737 557165.4604 -3.9424 -3.9603 PRESSURE: 942200 -92.4978 151.093 11.2814 151.092 94.7052 -15.9022 11.281 -15.9024 111.485 GPRESSURE: 942200 -2.14859 143.447 117.561 111.881 123.633 60.7439 3.21765 -60.5603 90.557 PRESSAVG: 942200 -4.76415 -16.6004 75.2089 -16.6005 -2.30459 -15.2227 75.209 -15.2228 19.2841 GPRESSAVG: 942200 -4.65283 -15.9378 74.8316 -18.4689 -2.10074 -16.3805 76.1546 -15.7865 18.2093 TIMING: 942200 CPU: 2794.52, 0.00297548/step Wall: 2794.52, 0.00297548/step, 3.35386 hours remaining, 206.304688 MB of memory in use. ENERGY: 942200 746.7428 2111.4044 1943.7046 127.0443 -206001.1886 17641.4661 0.0000 0.0000 34105.4372 -149325.3891 297.8513 -183430.8264 -149234.2814 299.1198 37.8974 70.6804 556006.5720 4.0718 3.8186 PRESSURE: 942400 -104.993 -16.0597 78.6313 -16.0594 -22.1776 1.38748 78.6293 1.38811 -192.921 GPRESSURE: 942400 -32.9415 -5.25913 -23.6876 34.4318 -13.7158 -29.9252 139.927 53.6449 -180.947 PRESSAVG: 942400 18.7802 3.73441 41.6006 3.73442 21.9551 17.7076 41.6006 17.7076 -35.2623 GPRESSAVG: 942400 18.0643 4.06162 44.8637 3.67094 22.2593 16.7187 40.329 20.8579 -34.8225 TIMING: 942400 CPU: 2795.12, 0.00299371/step Wall: 2795.12, 0.00299371/step, 3.37424 hours remaining, 206.304688 MB of memory in use. ENERGY: 942400 724.2524 2040.4284 1952.7251 115.9987 -206101.4363 17697.2384 0.0000 0.0000 34269.8918 -149300.9015 299.2875 -183570.7933 -149205.0521 298.9264 -106.6972 -75.8680 556644.2059 1.8243 1.8337 PRESSURE: 942600 -215.275 92.7749 41.5201 92.7755 -29.833 -137.958 41.5214 -137.958 44.4872 GPRESSURE: 942600 -146.79 98.4694 17.2109 148.608 25.844 -196.378 -4.7858 -112.384 26.891 PRESSAVG: 942600 -21.1045 82.9159 45.0157 82.9158 -44.2151 12.6871 45.0156 12.6872 -4.80227 GPRESSAVG: 942600 -21.5081 82.9324 44.6744 82.611 -43.6976 11.6365 43.1427 11.1732 -4.93727 TIMING: 942600 CPU: 2795.72, 0.00300014/step Wall: 2795.72, 0.00300014/step, 3.38133 hours remaining, 206.304688 MB of memory in use. ENERGY: 942600 760.2961 2046.6002 1932.3495 119.0582 -206196.8079 17739.8875 0.0000 0.0000 34301.9024 -149296.7141 299.5670 -183598.6165 -149205.8002 298.9495 -66.8736 -31.3516 555992.4053 -23.3740 -23.3810 PRESSURE: 942800 26.23 -52.2846 -2.89559 -52.2845 82.3276 -157.903 -2.89619 -157.903 -76.4845 GPRESSURE: 942800 20.8193 -112.366 -41.0986 29.4342 118.753 -129.662 -74.3024 -115.786 -6.20673 PRESSAVG: 942800 -5.03205 109.48 39.3064 109.48 23.4136 -30.0329 39.3065 -30.0328 28.3659 GPRESSAVG: 942800 -4.15889 108.435 36.9428 110.236 22.7126 -26.5128 42.047 -31.7645 28.4558 TIMING: 942800 CPU: 2796.31, 0.00298342/step Wall: 2796.31, 0.00298342/step, 3.36231 hours remaining, 206.304688 MB of memory in use. ENERGY: 942800 761.0320 2081.1100 1951.3016 113.8770 -206321.3831 17979.3301 0.0000 0.0000 34188.5227 -149246.2097 298.5769 -183434.7324 -149155.8227 299.4197 10.6910 44.4551 556261.9760 15.5825 15.6698 PRESSURE: 943000 -51.7853 -112.343 185.846 -112.344 -69.1721 -36.3539 185.846 -36.355 -159.325 GPRESSURE: 943000 -4.48949 -157.411 153.349 -61.6421 -99.9982 -45.5537 187.948 -70.1289 -78.8449 PRESSAVG: 943000 -12.191 3.51081 -13.7884 3.51076 -5.66323 -18.0117 -13.7883 -18.0118 -8.17293 GPRESSAVG: 943000 -13.027 3.16624 -10.1054 5.85237 -5.3335 -19.8928 -15.3477 -16.4158 -7.54834 TIMING: 943000 CPU: 2796.92, 0.00302232/step Wall: 2796.92, 0.00302232/step, 3.40599 hours remaining, 206.304688 MB of memory in use. ENERGY: 943000 717.7051 2124.3844 1962.8139 131.2232 -206012.6589 17527.2244 0.0000 0.0000 34191.8260 -149357.4818 298.6057 -183549.3078 -149259.3116 299.5806 -93.4275 -61.1109 557537.2885 -8.6757 -8.6363 PRESSURE: 943200 -294.843 -28.866 106.418 -28.8664 -138.312 -78.8095 106.419 -78.8106 -240.177 GPRESSURE: 943200 -316.093 -57.7555 12.0063 78.3463 -108.39 -48.516 94.129 -116.063 -162.316 PRESSAVG: 943200 27.4918 10.7853 54.5008 10.7853 18.2578 -60.9086 54.5009 -60.9087 -39.4303 GPRESSAVG: 943200 27.4834 11.2974 53.1886 7.85875 18.3048 -57.5089 55.0312 -61.563 -39.3561 TIMING: 943200 CPU: 2797.52, 0.00300816/step Wall: 2797.52, 0.00300816/step, 3.38986 hours remaining, 206.304688 MB of memory in use. ENERGY: 943200 781.8198 2133.3180 1994.4874 109.7637 -206231.0756 17638.8172 0.0000 0.0000 34050.9545 -149521.9150 297.3755 -183572.8695 -149426.2589 298.7852 -224.4441 -195.5998 557672.0453 2.1064 2.1440 PRESSURE: 943400 1.44533 -138.173 84.3354 -138.174 21.7084 -62.6349 84.3364 -62.6361 37.7513 GPRESSURE: 943400 -3.1606 -98.7481 84.2623 -179.428 46.3817 -45.2255 70.245 -104.709 103.319 PRESSAVG: 943400 12.3778 -30.3088 23.242 -30.3089 -50.1267 -9.32748 23.242 -9.32738 -32.0113 GPRESSAVG: 943400 12.4441 -29.7743 22.3167 -30.6726 -49.821 -11.7024 23.39 -8.79838 -32.5199 TIMING: 943400 CPU: 2798.12, 0.00301547/step Wall: 2798.12, 0.00301547/step, 3.39794 hours remaining, 206.304688 MB of memory in use. ENERGY: 943400 724.9967 2100.3598 1982.0591 123.9343 -206389.6616 17793.0786 0.0000 0.0000 34027.0945 -149638.1387 297.1671 -183665.2331 -149549.9464 298.1209 20.3017 48.8466 557299.1197 -23.2534 -23.2990 PRESSURE: 943600 -17.734 29.8589 45.4838 29.8589 15.5436 199.396 45.4836 199.397 -11.3897 GPRESSURE: 943600 8.94667 -25.3468 38.4563 63.6639 124.606 219.741 95.7342 189.37 -46.7088 PRESSAVG: 943600 23.1317 28.9789 23.925 28.9787 27.4682 68.2844 23.925 68.2845 -3.81946 GPRESSAVG: 943600 24.3364 29.1752 23.8265 29.3524 26.6567 68.2491 26.588 67.9863 -4.51361 TIMING: 943600 CPU: 2798.73, 0.0030467/step Wall: 2798.73, 0.0030467/step, 3.43296 hours remaining, 206.304688 MB of memory in use. ENERGY: 943600 746.3721 2129.2294 1948.8836 113.1658 -206341.5589 17829.3767 0.0000 0.0000 34175.0853 -149399.4459 298.4595 -183574.5312 -149298.7356 298.6445 -4.5267 28.9479 556732.7454 15.5935 15.4932 PRESSURE: 943800 -30.2798 -182.361 146.432 -182.362 -20.0559 -94.6343 146.432 -94.6338 -59.4405 GPRESSURE: 943800 18.8292 -124.905 130.656 -124.876 -27.6877 -207.158 91.4085 -25.8867 -3.06364 PRESSAVG: 943800 -5.12593 -37.7264 19.313 -37.7265 27.9282 -4.14648 19.313 -4.14645 -4.76803 GPRESSAVG: 943800 -6.78589 -38.0013 17.7641 -37.2776 27.4796 -6.41274 17.8742 -2.46104 -2.22789 TIMING: 943800 CPU: 2799.33, 0.00298696/step Wall: 2799.33, 0.00298696/step, 3.36548 hours remaining, 206.304688 MB of memory in use. ENERGY: 943800 741.9635 2068.2452 1959.4570 125.9711 -206081.2964 17440.5903 0.0000 0.0000 34237.4451 -149507.6241 299.0041 -183745.0692 -149402.6645 299.2095 -36.5921 -3.9741 555936.7232 6.0114 6.1553 PRESSURE: 944000 -9.4064 204.308 39.7084 204.307 30.9513 -15.2601 39.7085 -15.2601 -139.849 GPRESSURE: 944000 43.3008 247.772 -14.1175 241.987 38.6569 -17.0651 85.3823 -5.40253 -102.017 PRESSAVG: 944000 20.6565 -4.58491 -8.12722 -4.58491 15.3999 -14.2563 -8.12725 -14.2562 14.3006 GPRESSAVG: 944000 21.4956 -4.45343 -7.75988 -4.91383 15.8161 -13.359 -9.33883 -15.8387 12.9742 TIMING: 944000 CPU: 2799.93, 0.00299529/step Wall: 2799.93, 0.00299529/step, 3.3747 hours remaining, 206.304688 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: 944000 712.4712 2123.8790 1951.8397 119.6575 -206096.9387 17522.0445 0.0000 0.0000 34341.1993 -149325.8475 299.9102 -183667.0468 -149226.2516 298.9618 -39.4348 -6.6865 556967.4970 16.7857 16.7620 PRESSURE: 944200 -222.902 6.08981 -142.502 6.08942 120.56 65.9768 -142.502 65.9781 120.144 GPRESSURE: 944200 -187.008 27.3264 -167.227 -41.6668 138.675 125.214 -127.689 -89.7563 156.939 PRESSAVG: 944200 -67.5276 -4.76453 -16.0068 -4.76447 30.7609 -5.22837 -16.0068 -5.22844 30.145 GPRESSAVG: 944200 -68.5895 -4.80606 -15.146 -5.92032 31.3194 -4.49325 -17.3962 -5.92038 30.347 TIMING: 944200 CPU: 2800.53, 0.00299591/step Wall: 2800.53, 0.00299591/step, 3.37522 hours remaining, 206.304688 MB of memory in use. ENERGY: 944200 760.7889 2076.3133 1953.7889 116.7903 -206454.1247 17935.2065 0.0000 0.0000 34282.8685 -149328.3683 299.4008 -183611.2368 -149232.9152 298.4674 5.9342 36.2019 556836.6913 -2.2072 -2.3077 LDB: ============= START OF LOAD BALANCING ============== 2803.96 LDB: ============== END OF LOAD BALANCING =============== 2803.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2803.96 LDB: ============= START OF LOAD BALANCING ============== 2804.26 LDB: Largest compute 4847 load 0.028971 is 24.6% of average load 0.117816 LDB: Average compute 0.001741 is 1.5% of average load 0.117816 LDB: TIME 2804.26 LOAD: AVG 0.117816 MAX 0.200324 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.691 MB LDB: TIME 2804.26 LOAD: AVG 0.117816 MAX 0.200324 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: TIME 2804.26 LOAD: AVG 0.117816 MAX 0.200324 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2804.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2804.27 PRESSURE: 944400 -231.635 44.9933 -111.476 44.9924 -74.0487 -147.09 -111.476 -147.09 -122.192 GPRESSURE: 944400 -259.72 32.5833 -95.8705 32.4037 -33.5424 -79.138 -164.231 -153.736 -42.0129 PRESSAVG: 944400 -1.30601 -0.954227 -21.5791 -0.954268 -1.22723 -18.1552 -21.5792 -18.1553 16.8657 GPRESSAVG: 944400 -1.04473 0.230457 -21.9928 -1.67092 -1.86071 -18.2392 -20.8907 -16.9032 17.642 TIMING: 944400 CPU: 2801.14, 0.00304986/step Wall: 2801.14, 0.00304986/step, 3.43583 hours remaining, 208.179688 MB of memory in use. ENERGY: 944400 788.6783 2111.5363 1947.4788 113.6617 -206129.1966 17667.0676 0.0000 0.0000 34115.6183 -149385.1555 297.9402 -183500.7738 -149287.6244 298.7370 -142.6252 -111.7585 557930.7643 4.7775 4.9122 PRESSURE: 944600 -194.646 -44.9239 29.9454 -44.9228 -27.4797 90.7562 29.9448 90.7569 -95.2108 GPRESSURE: 944600 -142.913 -105.23 -9.37079 -10.3133 -67.7233 57.2521 122.679 102.226 -6.54321 PRESSAVG: 944600 28.8623 -9.09044 -21.5503 -9.09047 -111.19 -6.83078 -21.5504 -6.83092 58.4149 GPRESSAVG: 944600 28.6388 -10.047 -21.8197 -8.84673 -110.716 -7.67636 -20.1353 -7.99296 58.2756 TIMING: 944600 CPU: 2801.74, 0.00299968/step Wall: 2801.74, 0.00299968/step, 3.37914 hours remaining, 208.179688 MB of memory in use. ENERGY: 944600 778.1240 2070.7453 1930.7561 108.1866 -206074.8536 17609.5943 0.0000 0.0000 34171.6547 -149405.7927 298.4296 -183577.4474 -149310.5685 298.5194 -105.7787 -72.3930 556377.2699 -7.9710 -7.9338 PRESSURE: 944800 140.205 -7.367 22.8359 -7.36682 44.5307 -48.6071 22.8374 -48.6068 63.1176 GPRESSURE: 944800 140.879 -36.3064 31.1333 28.6983 116.43 -132.253 -1.94118 -27.6024 95.3237 PRESSAVG: 944800 24.7878 16.2085 5.13868 16.2083 -5.20359 16.4227 5.13866 16.4227 -13.9389 GPRESSAVG: 944800 25.2316 15.9945 5.92351 15.5782 -5.40671 16.2583 3.44553 17.4583 -14.3294 TIMING: 944800 CPU: 2802.34, 0.00300228/step Wall: 2802.34, 0.00300228/step, 3.38191 hours remaining, 208.179688 MB of memory in use. ENERGY: 944800 726.7453 2108.4613 1931.4534 104.3194 -206394.9803 17784.2869 0.0000 0.0000 34420.9650 -149318.7488 300.6068 -183739.7139 -149218.4855 299.0565 82.6176 117.5441 555019.6896 1.8818 1.8318 PRESSURE: 945000 112.299 97.8558 34.5486 97.8549 213.089 -25.8758 34.5497 -25.8759 -5.3701 GPRESSURE: 945000 151.446 110.15 47.1066 13.7846 203.437 -19.6293 34.8428 88.5008 60.8154 PRESSAVG: 945000 -12.8833 11.6675 -2.05053 11.6675 -10.5568 26.4178 -2.05049 26.4177 43.7975 GPRESSAVG: 945000 -13.6409 10.5794 -2.81333 11.9266 -10.5475 27.7192 -1.46493 25.5379 44.4292 TIMING: 945000 CPU: 2802.94, 0.00299076/step Wall: 2802.94, 0.00299076/step, 3.36876 hours remaining, 208.179688 MB of memory in use. ENERGY: 945000 779.1139 2093.2936 1945.9054 102.3657 -206751.6530 18137.4152 0.0000 0.0000 34386.0017 -149307.5576 300.3015 -183693.5593 -149209.3010 299.3621 106.6725 138.5662 557288.3375 6.7858 6.7470 PRESSURE: 945200 59.9117 -15.1868 46.052 -15.1852 -88.2526 89.3176 46.0525 89.3148 -53.4303 GPRESSURE: 945200 96.3701 21.5522 -36.0161 -36.3791 3.18741 99.788 97.0745 70.6531 -81.3201 PRESSAVG: 945200 -9.52231 -8.80944 33.0365 -8.80941 -6.44276 71.7702 33.0364 71.7702 -34.2874 GPRESSAVG: 945200 -8.74595 -10.3297 33.5258 -6.91846 -5.90944 71.6518 33.6142 71.8538 -35.6386 TIMING: 945200 CPU: 2803.54, 0.00301526/step Wall: 2803.54, 0.00301526/step, 3.39619 hours remaining, 208.179688 MB of memory in use. ENERGY: 945200 742.7195 2144.9285 1949.4384 119.8083 -206349.9915 17782.2888 0.0000 0.0000 34267.0925 -149343.7155 299.2630 -183610.8080 -149250.1522 299.4066 -27.2571 6.0791 556260.0472 -16.7508 -16.7647 PRESSURE: 945400 -22.9416 -200.874 -124.385 -200.876 -56.0711 110.971 -124.386 110.97 123.801 GPRESSURE: 945400 28.1151 -184.572 -87.666 -132.997 -34.5015 173.688 -127.423 57.1553 160.682 PRESSAVG: 945400 -9.34486 58.782 -19.6544 58.782 -48.1963 29.9334 -19.6544 29.9334 22.0767 GPRESSAVG: 945400 -10.5885 59.5986 -18.9161 59.1079 -49.1731 29.1486 -18.7432 29.1052 23.9606 TIMING: 945400 CPU: 2804.15, 0.00304383/step Wall: 2804.15, 0.00304383/step, 3.4282 hours remaining, 208.179688 MB of memory in use. ENERGY: 945400 761.7567 2134.2029 1939.1825 127.7003 -206318.1586 17793.2046 0.0000 0.0000 34155.9153 -149406.1964 298.2921 -183562.1117 -149309.0500 299.0902 14.9294 51.4319 556830.0090 -11.8215 -11.9336 PRESSURE: 945600 -120.453 -127.872 48.7842 -127.872 -157.601 11.7628 48.7846 11.7614 -201.087 GPRESSURE: 945600 -126.354 -80.6914 42.688 -159.717 -107.482 -57.2377 -7.05394 46.3425 -153.505 PRESSAVG: 945600 49.4321 57.9461 14.7932 57.9461 -29.7743 5.22485 14.7932 5.22493 12.0324 GPRESSAVG: 945600 49.9414 58.7431 13.4562 56.3556 -29.7403 6.28437 13.854 3.72015 11.5847 TIMING: 945600 CPU: 2804.75, 0.00300435/step Wall: 2804.75, 0.00300435/step, 3.38357 hours remaining, 208.179688 MB of memory in use. ENERGY: 945600 718.3683 2114.0211 1935.3391 112.0682 -205861.4847 17500.9600 0.0000 0.0000 34119.6299 -149361.0981 297.9752 -183480.7280 -149262.2334 299.4434 -159.7138 -129.1136 557524.8573 10.5634 10.5953 PRESSURE: 945800 205.549 -71.7303 -88.2231 -71.7305 -171.174 -53.5112 -88.2226 -53.5091 -17.1743 GPRESSURE: 945800 222.964 -45.3249 -92.0366 -49.277 -108.131 -110.522 41.8589 -79.1977 9.53971 PRESSAVG: 945800 -13.8181 -14.9883 101.264 -14.9884 -24.058 -16.004 101.264 -16.0039 -13.1238 GPRESSAVG: 945800 -13.8366 -13.9346 101.765 -13.9037 -23.8443 -17.476 102.173 -13.6411 -13.6031 TIMING: 945800 CPU: 2805.35, 0.00299252/step Wall: 2805.35, 0.00299252/step, 3.37007 hours remaining, 208.179688 MB of memory in use. ENERGY: 945800 735.7574 2126.8961 1941.1460 110.9694 -206602.4760 17943.8599 0.0000 0.0000 34381.4485 -149362.3987 300.2617 -183743.8471 -149270.6293 299.4677 5.7335 41.4578 556001.8985 -17.0000 -17.0947 PRESSURE: 946000 282.403 -113.643 -29.5894 -113.643 39.408 -104.843 -29.5895 -104.842 -47.8846 GPRESSURE: 946000 262.476 -214.125 27.6149 -40.1074 141.337 -121.469 -63.1321 -109.466 -22.6804 PRESSAVG: 946000 4.85018 -58.4876 40.6963 -58.4876 -32.878 0.282176 40.6964 0.282194 23.1661 GPRESSAVG: 946000 6.41247 -58.8248 40.7466 -60.3725 -32.3066 2.29863 39.7202 -2.44021 21.2729 TIMING: 946000 CPU: 2805.94, 0.00297919/step Wall: 2805.94, 0.00297919/step, 3.3549 hours remaining, 208.179688 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: 946000 753.4035 2110.6377 1926.7475 104.3853 -206409.2678 18020.8358 0.0000 0.0000 34199.3031 -149293.9550 298.6710 -183493.2581 -149202.7317 299.8604 91.3089 127.0442 556794.0728 -1.6206 -1.5404 PRESSURE: 946200 -21.9957 -184.623 208.583 -184.624 -339.895 -120.03 208.583 -120.03 -118.611 GPRESSURE: 946200 -6.75906 -163.789 247.306 -231.861 -244.347 -35.2283 237.847 -134.573 -128.07 PRESSAVG: 946200 17.6738 -27.5322 -16.0744 -27.5322 16.6029 11.3343 -16.0744 11.3343 -7.26947 GPRESSAVG: 946200 16.789 -28.4965 -15.298 -24.4979 16.003 10.4384 -15.1027 13.5481 -5.92393 TIMING: 946200 CPU: 2806.54, 0.00299114/step Wall: 2806.54, 0.00299114/step, 3.3682 hours remaining, 208.179688 MB of memory in use. ENERGY: 946200 747.1402 2107.4345 1946.1531 124.7406 -206148.7772 17787.0944 0.0000 0.0000 34167.8660 -149268.3485 298.3965 -183436.2145 -149168.4639 299.3116 -160.1672 -126.3920 558608.7121 9.0024 8.9560 PRESSURE: 946400 -87.9627 -6.954 16.538 -6.95435 137.872 -19.4611 16.5359 -19.4585 -20.4847 GPRESSURE: 946400 -22.3398 122.724 32.866 -54.3931 121.356 30.1047 4.07912 -45.9282 23.4005 PRESSAVG: 946400 -15.5779 -63.1304 34.2433 -63.1305 -1.70977 -0.205725 34.2433 -0.205713 10.3107 GPRESSAVG: 946400 -14.8019 -61.982 34.1031 -63.4073 -2.45394 0.934486 33.7403 -0.716742 10.6601 TIMING: 946400 CPU: 2807.14, 0.00297858/step Wall: 2807.14, 0.00297858/step, 3.35388 hours remaining, 208.179688 MB of memory in use. ENERGY: 946400 757.8323 2130.4106 1961.9017 110.9539 -206036.6816 17842.5180 0.0000 0.0000 34159.8620 -149073.2031 298.3266 -183233.0651 -148977.1425 299.2465 9.8082 40.8055 558663.1391 -2.3257 -2.1986 PRESSURE: 946600 -205.581 182.342 -5.33276 182.342 69.2416 115.44 -5.3329 115.439 -14.8216 GPRESSURE: 946600 -177.245 158.453 45.8483 160.96 140.433 55.7943 -72.9841 120.815 -25.8433 PRESSAVG: 946600 -40.0472 -5.38605 56.8449 -5.38603 29.3086 21.8463 56.845 21.8463 32.5803 GPRESSAVG: 946600 -39.9553 -6.81567 58.4613 -5.50822 29.8988 20.8721 56.8673 22.8354 32.2596 TIMING: 946600 CPU: 2807.73, 0.00294484/step Wall: 2807.73, 0.00294484/step, 3.31572 hours remaining, 208.179688 MB of memory in use. ENERGY: 946600 791.1563 2066.1982 1965.3817 128.5935 -205991.8030 17600.5176 0.0000 0.0000 34460.9352 -148979.0205 300.9559 -183439.9557 -148892.3385 300.1410 -50.3868 -20.8850 557088.7104 7.2806 7.4011 PRESSURE: 946800 108.125 -45.0482 -30.2781 -45.0486 105.264 -108.107 -30.2788 -108.107 -15.3401 GPRESSURE: 946800 157.623 -73.5644 -14.4246 -28.5034 118.187 -64.8103 -30.5882 -119.141 -0.94784 PRESSAVG: 946800 -82.6097 26.024 7.13985 26.024 37.5275 -19.9128 7.13986 -19.9127 27.1422 GPRESSAVG: 946800 -82.9199 26.1035 5.57532 27.3321 38.3829 -21.6992 7.08615 -20.9138 26.543 TIMING: 946800 CPU: 2808.32, 0.00297029/step Wall: 2808.32, 0.00297029/step, 3.34422 hours remaining, 208.179688 MB of memory in use. ENERGY: 946800 756.8433 2089.6688 1980.7217 125.4432 -206265.1104 17863.3473 0.0000 0.0000 34313.8985 -149135.1876 299.6718 -183449.0861 -149040.4542 300.3031 66.0162 91.6207 556944.2535 -5.9800 -5.9980 PRESSURE: 947000 95.2994 155.038 71.5256 155.038 235.01 6.26147 71.5245 6.26349 4.57535 GPRESSURE: 947000 125.443 158.871 130.092 125.693 267.579 -59.0821 83.0798 17.6153 57.4153 PRESSAVG: 947000 -13.4505 30.8586 19.066 30.8586 -4.09992 -60.63 19.066 -60.6301 44.8997 GPRESSAVG: 947000 -13.9157 33.8375 18.9245 26.847 -5.6974 -59.6537 20.5109 -57.6867 47.1112 TIMING: 947000 CPU: 2808.91, 0.00297409/step Wall: 2808.91, 0.00297409/step, 3.34833 hours remaining, 208.179688 MB of memory in use. ENERGY: 947000 746.4623 2052.3993 1951.8131 117.1470 -206205.6324 17933.8338 0.0000 0.0000 34293.6918 -149110.2852 299.4953 -183403.9770 -149018.8899 299.6950 111.6281 150.1458 556510.0515 9.1164 9.1661 PRESSURE: 947200 -304.496 62.3073 -63.0248 62.3076 -294.345 119.618 -63.0255 119.618 -294.353 GPRESSURE: 947200 -308.341 122.061 -87.7463 34.3388 -248.431 163.747 -66.5327 42.5562 -235.588 PRESSAVG: 947200 26.8436 22.9476 18.8207 22.9475 -78.2084 -28.6443 18.8207 -28.6443 29.2151 GPRESSAVG: 947200 26.781 20.3616 17.2717 26.4953 -76.4565 -27.0989 18.3185 -30.969 27.6686 TIMING: 947200 CPU: 2809.51, 0.00296181/step Wall: 2809.51, 0.00296181/step, 3.33434 hours remaining, 208.179688 MB of memory in use. ENERGY: 947200 790.3757 2075.9051 1966.5784 117.5308 -205574.0612 17394.5640 0.0000 0.0000 34415.3792 -148813.7280 300.5581 -183229.1072 -148713.1826 300.2359 -297.7312 -264.1202 559186.4324 -7.3832 -7.3356 PRESSURE: 947400 -59.543 129.689 57.4465 129.689 29.041 34.2758 57.4475 34.2755 67.9379 GPRESSURE: 947400 -62.7678 131.388 79.1629 79.699 72.4741 39.7055 6.85454 56.585 119.206 PRESSAVG: 947400 27.9571 29.1472 43.5075 29.1472 -54.8275 -13.352 43.5074 -13.352 39.553 GPRESSAVG: 947400 28.6915 29.6458 45.0269 28.7394 -57.211 -13.0612 41.6691 -16.2654 41.0265 TIMING: 947400 CPU: 2810.1, 0.00294736/step Wall: 2810.1, 0.00294736/step, 3.31791 hours remaining, 208.179688 MB of memory in use. ENERGY: 947400 766.4463 2055.2162 1960.3475 119.3838 -205978.7475 17719.3645 0.0000 0.0000 34241.2223 -149116.7668 299.0371 -183357.9891 -149018.6643 300.0531 12.4787 42.9706 556530.7702 4.2275 4.1690 PRESSURE: 947600 -304.858 -30.275 75.4674 -30.2744 -28.6218 70.5209 75.4678 70.5227 -95.6322 GPRESSURE: 947600 -267.442 -53.2455 116.605 -78.1944 17.7058 75.5394 50.1135 61.5805 -84.6607 PRESSAVG: 947600 -5.02231 8.76498 -1.37448 8.76487 -22.7487 20.9386 -1.37454 20.9389 -0.914517 GPRESSAVG: 947600 -4.33853 9.3251 -1.22703 8.82315 -22.8465 21.5019 -2.36 22.3619 -1.86459 TIMING: 947600 CPU: 2810.69, 0.0029537/step Wall: 2810.69, 0.0029537/step, 3.32488 hours remaining, 208.179688 MB of memory in use. ENERGY: 947600 738.8560 2127.3223 1965.7175 116.3151 -205900.4933 17527.8704 0.0000 0.0000 34273.8896 -149150.5223 299.3224 -183424.4119 -149046.4823 298.4654 -143.0375 -111.4655 558592.5772 -9.5618 -9.6832 PRESSURE: 947800 20.9538 19.4032 58.2209 19.4031 -95.4413 105.603 58.2215 105.605 -168.185 GPRESSURE: 947800 76.6972 24.2242 24.2508 -77.7636 -91.1661 183.38 75.8221 70.0687 -138.161 PRESSAVG: 947800 -6.29901 -17.8209 8.36798 -17.821 -48.2809 -17.7283 8.36799 -17.7282 58.4937 GPRESSAVG: 947800 -5.73574 -18.0403 8.84341 -19.8928 -47.2223 -18.4519 11.4412 -16.7749 56.6018 TIMING: 947800 CPU: 2811.28, 0.00298498/step Wall: 2811.28, 0.00298498/step, 3.35993 hours remaining, 208.179688 MB of memory in use. ENERGY: 947800 759.6720 2132.7423 1953.2648 114.5108 -206173.8436 17842.0171 0.0000 0.0000 34266.6956 -149104.9410 299.2596 -183371.6366 -149010.5258 299.2906 -80.8907 -50.8768 558854.3693 1.3046 1.2146 PRESSURE: 948000 227.778 50.3759 -1.96038 50.3758 30.6047 158.805 -1.96011 158.806 72.3043 GPRESSURE: 948000 253.81 73.1843 19.2552 76.3496 99.7156 90.3401 14.3931 142.343 64.1849 PRESSAVG: 948000 72.6152 17.0193 22.3015 17.0192 -47.7526 -20.6679 22.3015 -20.668 -53.0701 GPRESSAVG: 948000 70.9974 16.3662 22.3197 19.4518 -47.3059 -22.4995 20.2823 -19.9884 -51.9161 TIMING: 948000 CPU: 2811.88, 0.00296779/step Wall: 2811.88, 0.00296779/step, 3.34041 hours remaining, 208.179688 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: 948000 764.0778 2087.7785 1957.4992 123.4095 -206750.2312 18067.8922 0.0000 0.0000 34405.0925 -149344.4815 300.4682 -183749.5740 -149250.5974 299.6311 110.2289 139.2370 556691.2917 -9.4025 -9.4082 PRESSURE: 948200 6.53252 -10.6746 -130.65 -10.6749 127.638 -0.391731 -130.65 -0.390424 -54.4154 GPRESSURE: 948200 20.0705 -68.1841 -211.63 -1.04037 128.198 37.2431 -111.924 -12.674 18.6615 PRESSAVG: 948200 6.68996 14.4229 19.953 14.4229 -18.4266 32.7526 19.953 32.7527 3.85201 GPRESSAVG: 948200 7.0263 13.8054 17.8196 14.5842 -18.8979 31.6133 19.7408 32.9387 4.42852 TIMING: 948200 CPU: 2812.48, 0.0029894/step Wall: 2812.48, 0.0029894/step, 3.36457 hours remaining, 208.179688 MB of memory in use. ENERGY: 948200 721.2136 2104.4966 1952.2568 108.4782 -206301.8158 17847.8518 0.0000 0.0000 34181.5904 -149385.9284 298.5163 -183567.5189 -149289.6454 298.8890 26.5851 55.6435 556488.8126 -2.6282 -2.4810 LDB: ============= START OF LOAD BALANCING ============== 2815.9 LDB: ============== END OF LOAD BALANCING =============== 2815.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2815.9 LDB: ============= START OF LOAD BALANCING ============== 2816.2 LDB: Largest compute 4847 load 0.029663 is 25.2% of average load 0.117893 LDB: Average compute 0.001739 is 1.5% of average load 0.117893 LDB: TIME 2816.2 LOAD: AVG 0.117893 MAX 0.195908 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 2816.2 LOAD: AVG 0.117893 MAX 0.195908 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: TIME 2816.2 LOAD: AVG 0.117893 MAX 0.195908 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.914 MB LDB: ============== END OF LOAD BALANCING =============== 2816.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2816.21 PRESSURE: 948400 192.054 34.6759 7.09336 34.6784 -34.8892 -143.993 7.09328 -143.993 190.326 GPRESSURE: 948400 222.145 -15.5367 90.7728 -24.5571 3.05971 -120.613 -53.8214 -152.338 214.922 PRESSAVG: 948400 31.9022 31.4118 -14.7836 31.4118 -22.5832 14.1498 -14.7836 14.1499 5.47108 GPRESSAVG: 948400 33.4745 30.8198 -13.7436 31.2348 -22.6871 16.786 -12.7888 13.0177 3.60245 TIMING: 948400 CPU: 2813.08, 0.0030241/step Wall: 2813.08, 0.0030241/step, 3.40346 hours remaining, 206.707031 MB of memory in use. ENERGY: 948400 776.4714 2048.2868 1942.8683 110.3099 -206835.1183 18168.0204 0.0000 0.0000 34480.1184 -149309.0430 301.1235 -183789.1614 -149209.5172 299.1685 115.8302 146.7092 558753.1873 4.9300 4.7966 PRESSURE: 948600 -137.686 -11.5779 77.9801 -11.5776 -188.078 -61.136 77.9795 -61.1359 175.154 GPRESSURE: 948600 -135.989 -5.56953 -0.467544 2.24745 -115.991 6.62031 92.9771 -102.078 193.638 PRESSAVG: 948600 -14.6478 74.0057 22.0132 74.0056 13.6882 33.7616 22.0133 33.7617 15.9037 GPRESSAVG: 948600 -15.7801 75.8756 21.8093 73.7479 13.1504 31.5895 19.3225 34.1256 17.5505 TIMING: 948600 CPU: 2813.68, 0.00297456/step Wall: 2813.68, 0.00297456/step, 3.34754 hours remaining, 206.777344 MB of memory in use. ENERGY: 948600 801.4144 2027.9272 1915.2575 107.7162 -206399.7685 17842.7473 0.0000 0.0000 34448.7901 -149255.9156 300.8499 -183704.7057 -149154.2578 299.4090 -50.2034 -19.4472 557510.4945 4.9813 4.9736 PRESSURE: 948800 91.6878 66.8803 113.053 66.8799 -49.7028 -9.4185 113.054 -9.41771 53.0473 GPRESSURE: 948800 150.878 49.7717 101.811 -18.8502 6.60763 36.0528 109.013 19.8178 30.2606 PRESSAVG: 948800 -15.346 30.5274 -13.6784 30.5274 -56.6516 -27.3558 -13.6783 -27.3559 45.7299 GPRESSAVG: 948800 -15.3938 30.2945 -11.6085 30.5624 -56.7404 -24.8625 -14.2038 -28.2486 46.4081 TIMING: 948800 CPU: 2814.27, 0.00296786/step Wall: 2814.27, 0.00296786/step, 3.33983 hours remaining, 206.777344 MB of memory in use. ENERGY: 948800 728.4255 2129.8840 1958.5015 128.6361 -206457.7121 17908.8363 0.0000 0.0000 34317.9625 -149285.4661 299.7073 -183603.4286 -149187.9745 299.5293 31.6774 62.5820 558242.7277 -8.7559 -8.5753 PRESSURE: 949000 -121.262 -134.116 79.2814 -134.117 -198.76 -25.5291 79.2811 -25.528 -218.033 GPRESSURE: 949000 -103.788 -114.204 56.2772 -74.6774 -154.474 -11.1825 38.3115 -16.531 -180.957 PRESSAVG: 949000 -5.17519 44.5023 -11.5793 44.5023 -11.7072 -1.23032 -11.5792 -1.23034 -12.0488 GPRESSAVG: 949000 -5.6349 44.4743 -12.1214 45.5151 -11.4611 -1.73202 -10.3878 -1.62015 -11.2483 TIMING: 949000 CPU: 2814.86, 0.00296899/step Wall: 2814.86, 0.00296899/step, 3.34093 hours remaining, 206.777344 MB of memory in use. ENERGY: 949000 770.0341 2057.8172 1930.7474 113.5738 -206010.6118 17689.2328 0.0000 0.0000 34257.4449 -149191.7615 299.1788 -183449.2064 -149091.8975 299.0357 -179.3516 -146.4063 558775.6972 -9.6437 -9.4481 PRESSURE: 949200 127.538 72.6293 -198.452 72.6288 -244.918 -147.924 -198.452 -147.925 8.51646 GPRESSURE: 949200 177.801 147.767 -98.2402 41.3881 -197.307 -170.198 -185.087 -158.8 -1.28364 PRESSAVG: 949200 -5.64828 40.7611 -45.0991 40.7611 -52.3268 -1.077 -45.0991 -1.07709 39.5297 GPRESSAVG: 949200 -5.73687 41.5494 -46.821 40.5039 -51.3503 -1.82604 -43.6207 -0.0799278 38.4662 TIMING: 949200 CPU: 2815.46, 0.00298731/step Wall: 2815.46, 0.00298731/step, 3.36139 hours remaining, 206.777344 MB of memory in use. ENERGY: 949200 783.5483 2086.8889 1971.6339 114.1107 -206240.0344 17920.6725 0.0000 0.0000 34111.5859 -149251.5941 297.9050 -183363.1799 -149155.1563 299.4632 -36.2880 -6.9301 557463.8041 -6.1484 -6.2070 PRESSURE: 949400 118.418 136.71 159.559 136.708 -27.7656 -3.59806 159.557 -3.59771 -9.58103 GPRESSURE: 949400 133.159 98.4437 203.21 111.639 -1.57891 26.1012 231.786 -17.3479 37.4142 PRESSAVG: 949400 75.8525 13.5847 -8.7308 13.5847 -91.2052 -16.011 -8.73087 -16.011 59.1702 GPRESSAVG: 949400 76.8132 12.0646 -6.60169 13.0861 -91.4158 -15.4641 -10.6517 -14.5091 59.0019 TIMING: 949400 CPU: 2816.05, 0.00295536/step Wall: 2816.05, 0.00295536/step, 3.32527 hours remaining, 206.777344 MB of memory in use. ENERGY: 949400 794.0338 2150.2582 1981.4017 109.2412 -206667.7999 18160.9861 0.0000 0.0000 34034.3227 -149437.5562 297.2302 -183471.8789 -149343.7686 298.8327 27.0237 56.3315 558474.0172 14.6058 14.7997 PRESSURE: 949600 -368.14 266.516 -44.6396 266.517 -7.57499 -14.0801 -44.6401 -14.0795 227.429 GPRESSURE: 949600 -275.749 274.425 -118.452 229.802 42.9302 -61.8672 -94.6654 78.7749 175.607 PRESSAVG: 949600 -6.76794 62.0126 7.47251 62.0127 -41.7119 8.93645 7.47248 8.9363 55.4075 GPRESSAVG: 949600 -6.6815 62.7061 6.46036 62.2561 -40.9708 6.31923 9.98856 8.89719 54.3872 TIMING: 949600 CPU: 2816.64, 0.00296874/step Wall: 2816.64, 0.00296874/step, 3.34016 hours remaining, 206.777344 MB of memory in use. ENERGY: 949600 754.2090 2094.8725 1953.7473 115.8155 -206372.4397 17750.8258 0.0000 0.0000 34101.3507 -149601.6189 297.8156 -183702.9697 -149506.0588 297.7439 -49.4285 -19.0706 556655.5775 2.3092 2.2450 PRESSURE: 949800 191.949 -140.694 26.2779 -140.694 -102.051 6.43009 26.2775 6.42979 93.494 GPRESSURE: 949800 204.669 -165.508 131.566 -73.6185 -137.172 113.83 -23.9459 24.7221 207.254 PRESSAVG: 949800 -22.2353 18.3574 51.1026 18.3575 -30.0999 -23.5011 51.1027 -23.5011 46.2771 GPRESSAVG: 949800 -23.3986 18.7117 52.1481 18.3755 -30.1402 -23.3215 48.7686 -24.3076 47.453 TIMING: 949800 CPU: 2817.24, 0.00296237/step Wall: 2817.24, 0.00296237/step, 3.33284 hours remaining, 206.777344 MB of memory in use. ENERGY: 949800 738.2916 2120.9574 1953.1367 124.9885 -206517.5267 18009.1607 0.0000 0.0000 34060.9828 -149510.0089 297.4630 -183570.9917 -149418.1621 297.5165 61.1304 91.5838 556969.8345 -2.0194 -2.0286 PRESSURE: 950000 -60.6289 5.25478 -215.843 5.25382 42.3815 -162.346 -215.843 -162.346 173.519 GPRESSURE: 950000 -50.7557 13.9188 -177.436 18.6329 111.045 -53.5654 -162.559 -182.992 190.805 PRESSAVG: 950000 -75.5228 36.5568 -59.6545 36.5569 18.2346 -42.4257 -59.6546 -42.4257 59.1653 GPRESSAVG: 950000 -74.0554 33.3764 -60.0227 39.5233 18.2982 -42.3301 -59.9571 -42.612 58.234 TIMING: 950000 CPU: 2817.83, 0.00296938/step Wall: 2817.83, 0.00296938/step, 3.34056 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: 950000 717.7597 2096.8208 1980.2346 114.9056 -206460.2651 17981.0462 0.0000 0.0000 34074.2440 -149495.2542 297.5788 -183569.4982 -149397.8954 298.2084 51.7573 83.6982 558323.9029 0.6257 0.8256 PRESSURE: 950200 286.519 -108.374 92.8429 -108.375 113.112 -104.322 92.8439 -104.32 -98.159 GPRESSURE: 950200 329.953 -52.6689 62.2455 -65.4767 178.151 -69.8122 35.7828 -198.353 -104.078 PRESSAVG: 950200 -32.7385 40.2609 -29.0234 40.2609 -43.8639 -59.43 -29.0234 -59.43 65.0687 GPRESSAVG: 950200 -34.0269 42.6226 -30.0267 38.3989 -43.7175 -59.378 -26.3832 -59.6567 66.0512 TIMING: 950200 CPU: 2818.43, 0.00297207/step Wall: 2818.43, 0.00297207/step, 3.34342 hours remaining, 206.777344 MB of memory in use. ENERGY: 950200 709.7685 2114.1906 1946.0978 111.6892 -206550.3922 18060.2510 0.0000 0.0000 34106.2766 -149502.1185 297.8586 -183608.3950 -149400.1872 297.9317 100.4906 134.6751 558103.1321 -3.8446 -3.8977 PRESSURE: 950400 -231.076 -6.8937 113.112 -6.89399 -223.472 -12.5359 113.112 -12.5356 -271.364 GPRESSURE: 950400 -186.971 9.45512 107.474 64.932 -210.32 20.1854 99.7519 -61.8139 -233.446 PRESSAVG: 950400 -29.51 0.433927 53.2774 0.434065 63.1937 -69.3949 53.2774 -69.395 -24.8292 GPRESSAVG: 950400 -28.8385 1.0698 54.2577 -1.20245 61.8787 -66.9471 51.4865 -69.3036 -23.8618 TIMING: 950400 CPU: 2819.02, 0.00296476/step Wall: 2819.02, 0.00296476/step, 3.33503 hours remaining, 206.777344 MB of memory in use. ENERGY: 950400 740.7989 2131.5538 1953.9051 119.8350 -206156.4316 17539.4533 0.0000 0.0000 34304.9467 -149365.9387 299.5936 -183670.8854 -149268.5430 298.2692 -241.9707 -210.2459 558262.0372 2.9515 3.0595 PRESSURE: 950600 33.3778 -93.4938 -201.669 -93.4936 -220.997 -12.1506 -201.668 -12.1508 -188.027 GPRESSURE: 950600 39.5719 -86.4523 -177.311 -25.9608 -174.671 -45.6407 -205.811 -48.6725 -144.432 PRESSAVG: 950600 16.3903 2.82044 26.1586 2.82053 2.54455 -7.83194 26.1587 -7.83194 44.2039 GPRESSAVG: 950600 16.6194 3.42121 24.9089 2.3282 2.80951 -8.2083 24.5841 -8.83463 43.4926 TIMING: 950600 CPU: 2819.61, 0.0029577/step Wall: 2819.61, 0.0029577/step, 3.32692 hours remaining, 206.777344 MB of memory in use. ENERGY: 950600 774.7065 2178.1349 1947.6778 116.7739 -206156.8740 17674.0030 0.0000 0.0000 34040.3494 -149425.2284 297.2828 -183465.5778 -149328.3063 298.7647 -125.2152 -93.1768 557314.9439 21.0462 20.9738 PRESSURE: 950800 -180.601 -70.1142 5.59771 -70.1136 116.962 23.9946 5.59903 23.9975 126.497 GPRESSURE: 950800 -149.272 -68.0669 55.273 -57.7868 149.068 98.1125 32.2968 -51.8448 159.234 PRESSAVG: 950800 -12.8377 -21.0215 -8.25672 -21.0214 -37.3162 -7.8423 -8.25672 -7.84222 59.0295 GPRESSAVG: 950800 -12.2529 -20.7252 -6.82452 -20.7178 -36.3034 -8.7067 -7.07183 -8.39626 57.9413 TIMING: 950800 CPU: 2820.2, 0.00295501/step Wall: 2820.2, 0.00295501/step, 3.32373 hours remaining, 206.777344 MB of memory in use. ENERGY: 950800 774.3370 2079.9610 1987.4982 115.8578 -206429.8611 17931.9993 0.0000 0.0000 34021.7947 -149518.4130 297.1208 -183540.2078 -149424.5320 298.6414 20.9524 53.0101 556572.1932 2.9585 3.1283 PRESSURE: 951000 183.871 101.762 19.8546 101.761 39.0471 81.6425 19.8549 81.644 -113.696 GPRESSURE: 951000 198.527 66.8182 -15.501 149.516 62.146 73.3328 19.4566 106.954 -59.7015 PRESSAVG: 951000 -9.44069 16.6926 -1.88914 16.6925 27.1699 45.3188 -1.88908 45.3189 -37.0262 GPRESSAVG: 951000 -9.92581 15.9004 -3.16595 17.184 26.4039 44.2967 -3.01355 47.7672 -36.2286 TIMING: 951000 CPU: 2820.8, 0.00298181/step Wall: 2820.8, 0.00298181/step, 3.35371 hours remaining, 206.777344 MB of memory in use. ENERGY: 951000 722.6648 2091.5967 1962.9713 110.4257 -206556.4522 17958.3663 0.0000 0.0000 34364.6503 -149345.7771 300.1150 -183710.4274 -149253.4089 298.9594 36.4074 66.9904 558259.0591 -6.4323 -6.5835 PRESSURE: 951200 -16.9833 199.623 35.4088 199.624 62.9641 -200.527 35.4096 -200.527 5.42856 GPRESSURE: 951200 60.9197 163.548 78.9472 203.24 72.9244 -143.365 40.347 -261.701 21.2832 PRESSAVG: 951200 -42.9382 48.8894 2.56877 48.8895 34.2747 -5.96779 2.5688 -5.9678 -2.77555 GPRESSAVG: 951200 -42.5175 46.2353 2.72795 50.863 35.2311 -4.00284 3.83941 -5.81821 -3.73258 TIMING: 951200 CPU: 2821.4, 0.00299803/step Wall: 2821.4, 0.00299803/step, 3.37179 hours remaining, 206.777344 MB of memory in use. ENERGY: 951200 753.3825 2092.2916 1958.6175 103.4642 -206229.0486 17842.8920 0.0000 0.0000 34113.5189 -149364.8819 297.9218 -183478.4008 -149267.1332 299.4561 17.1365 51.7091 557169.9079 -3.8130 -3.6730 PRESSURE: 951400 36.6086 39.1066 -120.945 39.1073 -194.081 28.2197 -120.946 28.221 -36.8141 GPRESSURE: 951400 45.1966 15.0401 -143.104 45.5168 -184.263 -84.103 -132.613 100.897 38.4583 PRESSAVG: 951400 21.5748 22.7205 -14.7178 22.7205 -27.7322 0.26751 -14.7179 0.267533 14.9287 GPRESSAVG: 951400 21.4775 24.8643 -14.7041 21.0161 -28.3746 -0.85398 -15.5745 -2.06327 15.8869 TIMING: 951400 CPU: 2822, 0.0030113/step Wall: 2822, 0.0030113/step, 3.38654 hours remaining, 206.777344 MB of memory in use. ENERGY: 951400 772.8685 2083.4396 1971.3710 109.1285 -206188.7936 17616.7983 0.0000 0.0000 34201.2146 -149433.9731 298.6877 -183635.1878 -149340.3675 298.8831 -64.7622 -33.5361 554780.4575 2.9238 2.9966 PRESSURE: 951600 53.5065 -56.6188 -4.30541 -56.6192 -54.7586 -81.7094 -4.30653 -81.7093 98.3688 GPRESSURE: 951600 72.4036 -28.6806 17.077 -117.834 19.3825 -69.27 -42.0164 -26.5666 91.5434 PRESSAVG: 951600 33.0365 5.3223 -44.2542 5.32224 -16.1457 7.79119 -44.2542 7.7911 15.1294 GPRESSAVG: 951600 33.3663 6.11662 -44.6349 4.21189 -15.847 8.03519 -42.855 10.8126 14.5574 TIMING: 951600 CPU: 2822.59, 0.00297567/step Wall: 2822.59, 0.00297567/step, 3.3463 hours remaining, 206.777344 MB of memory in use. ENERGY: 951600 722.6605 2135.7918 1935.9780 117.7585 -206118.9982 17665.3636 0.0000 0.0000 34235.4970 -149305.9490 298.9871 -183541.4460 -149209.1484 298.7246 32.3723 61.1098 556102.2050 10.6734 10.6923 PRESSURE: 951800 173.269 -116.134 -111.812 -116.132 -55.9207 -35.7898 -111.811 -35.7891 144.248 GPRESSURE: 951800 123.391 -50.4162 -70.363 -149.374 88.4255 -6.48381 -62.2947 -129.897 125.026 PRESSAVG: 951800 17.6477 -42.3561 30.1168 -42.3561 -7.95533 -67.4053 30.1168 -67.4053 -19.4402 GPRESSAVG: 951800 17.4818 -42.8529 29.8036 -42.1916 -8.95224 -67.3929 28.8444 -70.1898 -18.6329 TIMING: 951800 CPU: 2823.19, 0.00297477/step Wall: 2823.19, 0.00297477/step, 3.34513 hours remaining, 206.777344 MB of memory in use. ENERGY: 951800 739.2695 2111.6930 1937.0377 103.0305 -206234.4566 17848.7418 0.0000 0.0000 34197.3273 -149297.3569 298.6538 -183494.6841 -149198.4657 299.1557 87.1987 112.2808 555795.0720 -3.2493 -3.3678 PRESSURE: 952000 69.5536 202.366 -4.5912 202.365 -16.9384 -105.749 -4.59005 -105.747 66.7317 GPRESSURE: 952000 31.0139 192.071 -90.1372 239.939 15.9166 -138.006 98.9021 -134.666 174.284 PRESSAVG: 952000 -54.0146 56.966 -6.29473 56.966 32.1752 -57.6306 -6.29473 -57.6307 -0.28386 GPRESSAVG: 952000 -54.5771 57.9694 -7.93181 57.7593 33.9399 -61.4699 -5.46583 -55.7657 -1.07693 TIMING: 952000 CPU: 2823.78, 0.00297336/step Wall: 2823.78, 0.00297336/step, 3.34338 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: 952000 738.9080 2049.7518 1943.1387 119.3650 -206269.9258 17774.5963 0.0000 0.0000 34278.0336 -149366.1324 299.3586 -183644.1660 -149264.9843 298.9621 39.7823 73.7382 554357.9102 -7.3744 -7.2380 PRESSURE: 952200 244.823 -5.27192 -25.8869 -5.27198 12.1806 -136.398 -25.8864 -136.399 149.047 GPRESSURE: 952200 223.413 -13.7481 56.074 47.8759 62.2935 -139.703 -28.8725 -107.294 223.86 PRESSAVG: 952200 -10.4581 68.1381 27.6517 68.1381 -8.19487 -71.5796 27.6517 -71.5796 53.5367 GPRESSAVG: 952200 -10.1336 68.432 26.9055 67.46 -8.54287 -68.1153 28.6806 -73.4592 54.2399 TIMING: 952200 CPU: 2824.38, 0.00297986/step Wall: 2824.38, 0.00297986/step, 3.35052 hours remaining, 206.777344 MB of memory in use. ENERGY: 952200 759.2388 2078.2956 1969.0286 116.4206 -206320.8723 17959.1752 0.0000 0.0000 34120.5179 -149318.1956 297.9830 -183438.7135 -149222.8805 298.1915 135.3503 169.8553 557029.9934 11.6279 11.8545 LDB: ============= START OF LOAD BALANCING ============== 2827.81 LDB: ============== END OF LOAD BALANCING =============== 2827.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2827.81 LDB: ============= START OF LOAD BALANCING ============== 2828.11 LDB: Largest compute 4847 load 0.030307 is 25.7% of average load 0.117838 LDB: Average compute 0.001746 is 1.5% of average load 0.117838 LDB: TIME 2828.11 LOAD: AVG 0.117838 MAX 0.197191 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 2828.11 LOAD: AVG 0.117838 MAX 0.197191 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: TIME 2828.11 LOAD: AVG 0.117838 MAX 0.197191 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 2828.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2828.12 PRESSURE: 952400 -122.084 -9.33242 -194.917 -9.33194 10.9913 -139.764 -194.918 -139.763 27.9757 GPRESSURE: 952400 -114.853 16.9154 -177.929 75.2788 5.38006 -96.3207 -231.723 -157.882 123.855 PRESSAVG: 952400 62.0259 26.084 -8.97019 26.0839 -21.8994 -18.0705 -8.97015 -18.0705 -17.892 GPRESSAVG: 952400 62.9439 24.5649 -5.95974 25.3229 -22.6352 -16.824 -9.38955 -16.682 -18.1402 TIMING: 952400 CPU: 2824.99, 0.00304162/step Wall: 2824.99, 0.00304162/step, 3.4198 hours remaining, 205.226562 MB of memory in use. ENERGY: 952400 712.2061 2092.3367 1953.1754 114.9556 -206185.6503 17576.8963 0.0000 0.0000 34193.3070 -149542.7732 298.6187 -183736.0803 -149446.3824 298.4439 -27.7057 4.7941 557684.3411 7.4115 7.3895 PRESSURE: 952600 -153.266 -45.2922 27.548 -45.2918 96.1274 -25.6457 27.548 -25.6465 114.584 GPRESSURE: 952600 -148.443 -97.2816 -25.4883 -6.90223 106.928 47.2756 23.1675 -16.843 175.477 PRESSAVG: 952600 13.2158 23.4122 -58.9851 23.4122 -39.5811 -38.0531 -58.9853 -38.0531 37.436 GPRESSAVG: 952600 13.2961 23.5592 -58.4104 24.5415 -40.1665 -39.487 -58.7212 -37.9357 38.1565 TIMING: 952600 CPU: 2825.58, 0.00297371/step Wall: 2825.58, 0.00297371/step, 3.34327 hours remaining, 205.429688 MB of memory in use. ENERGY: 952600 774.6149 2122.1496 1958.4686 107.5199 -206497.8296 17753.3353 0.0000 0.0000 34113.0324 -149668.7089 297.9176 -183781.7413 -149582.2778 298.2599 19.1486 44.6538 557613.3828 3.6902 3.7620 PRESSURE: 952800 -61.6616 -91.7877 -80.772 -91.7882 -168.646 -62.9534 -80.7717 -62.9533 48.296 GPRESSURE: 952800 -40.8547 -88.4949 -5.06634 -75.6341 -139.18 -65.1885 -27.9025 -110.151 96.422 PRESSAVG: 952800 3.10853 2.4168 -3.84172 2.41677 9.67259 0.448842 -3.84164 0.448823 -26.6795 GPRESSAVG: 952800 1.92978 1.62095 -1.77252 4.5735 10.8031 -0.861914 -4.51085 0.387372 -26.8527 TIMING: 952800 CPU: 2826.18, 0.0029753/step Wall: 2826.18, 0.0029753/step, 3.3449 hours remaining, 205.429688 MB of memory in use. ENERGY: 952800 756.4815 2062.3793 1944.6785 109.5025 -206175.7718 17775.1102 0.0000 0.0000 34009.4100 -149518.2098 297.0126 -183527.6198 -149418.5280 297.7949 -60.6706 -27.8709 558439.7728 -4.6328 -4.7066 PRESSURE: 953000 -23.9921 151.64 -225.188 151.639 -326.964 -61.4552 -225.187 -61.4538 -125.503 GPRESSURE: 953000 7.92479 95.3719 -202.027 204.789 -254.635 -58.1911 -210.625 -98.7129 -131.612 PRESSAVG: 953000 -24.9771 28.8467 -13.6318 28.8467 14.6587 -5.04061 -13.6318 -5.04064 -6.81864 GPRESSAVG: 953000 -24.9014 29.9279 -16.3103 26.9023 14.8689 -3.02607 -12.5563 -6.29002 -7.17851 TIMING: 953000 CPU: 2826.77, 0.0029847/step Wall: 2826.77, 0.0029847/step, 3.3553 hours remaining, 205.429688 MB of memory in use. ENERGY: 953000 730.3530 2083.9694 1939.7263 114.4322 -205704.7721 17498.4287 0.0000 0.0000 33964.0152 -149373.8474 296.6162 -183337.8626 -149276.8566 298.2776 -158.8195 -126.1073 558149.7041 -5.7123 -5.7370 PRESSURE: 953200 -27.1228 105.159 -54.2817 105.159 -90.4842 -236.253 -54.2814 -236.254 55.703 GPRESSURE: 953200 -40.5394 188.527 -45.401 122.602 -55.8507 -257.218 -82.5018 -133.793 133.62 PRESSAVG: 953200 52.1987 7.69925 -111.78 7.69934 7.32005 -20.3726 -111.78 -20.3727 -6.66447 GPRESSAVG: 953200 53.1322 6.09268 -112.788 7.93785 6.03024 -20.4403 -113.512 -17.1354 -6.53382 TIMING: 953200 CPU: 2827.37, 0.00296334/step Wall: 2827.37, 0.00296334/step, 3.33112 hours remaining, 205.429688 MB of memory in use. ENERGY: 953200 757.2019 2082.3558 1967.6524 99.6004 -206165.1198 17785.7789 0.0000 0.0000 34087.2729 -149385.2576 297.6926 -183472.5305 -149290.3853 298.0603 -20.6347 12.4098 557025.9664 17.6181 17.5429 PRESSURE: 953400 117.698 -51.7267 -40.1824 -51.7266 -208.601 163.794 -40.1824 163.794 220.816 GPRESSURE: 953400 129.395 -112.234 -39.3663 7.81529 -162.57 218.223 -15.9761 67.6865 248.299 PRESSAVG: 953400 -12.2693 23.5958 -94.2721 23.5958 12.8925 -34.8877 -94.2719 -34.8876 -76.0496 GPRESSAVG: 953400 -13.146 24.8875 -92.4299 22.5359 13.2538 -37.8142 -92.7767 -36.137 -75.3989 TIMING: 953400 CPU: 2827.96, 0.00296027/step Wall: 2827.96, 0.00296027/step, 3.32751 hours remaining, 205.429688 MB of memory in use. ENERGY: 953400 755.8466 2091.2729 1974.9499 121.2777 -206510.6745 17934.3572 0.0000 0.0000 34273.8842 -149359.0859 299.3224 -183632.9702 -149266.1414 298.1625 43.3039 71.7081 555892.3749 -25.1421 -25.0970 PRESSURE: 953600 -175.233 -8.07767 2.73248 -8.07603 -87.6494 -80.1857 2.73238 -80.1861 -44.0091 GPRESSURE: 953600 -136.637 -78.2361 55.7212 89.5508 -63.9043 -59.8517 96.0664 -48.8911 -16.7838 PRESSAVG: 953600 2.71807 51.6187 -35.231 51.6187 -19.2028 -63.4298 -35.2309 -63.4296 14.7343 GPRESSAVG: 953600 3.71677 50.3048 -38.1827 51.8203 -19.7397 -60.6413 -33.3185 -65.5772 14.2194 TIMING: 953600 CPU: 2828.55, 0.00296015/step Wall: 2828.55, 0.00296015/step, 3.32721 hours remaining, 205.429688 MB of memory in use. ENERGY: 953600 728.0428 2151.9651 1930.1431 96.1522 -206203.8902 17696.0112 0.0000 0.0000 34200.8801 -149400.6957 298.6848 -183601.5759 -149292.6061 298.4760 -102.2972 -72.4417 558214.3667 -0.5835 -0.6012 PRESSURE: 953800 24.3912 2.52802 -65.0864 2.52847 -190.581 -152.117 -65.0855 -152.117 -90.4704 GPRESSURE: 953800 89.3909 -97.1744 -101.384 -51.0588 -135.398 -73.9788 -42.8212 -125.217 -109.486 PRESSAVG: 953800 59.1858 7.6001 -51.0012 7.60011 -17.1898 -36.8322 -51.0012 -36.8323 -0.809357 GPRESSAVG: 953800 58.5127 7.82536 -48.0294 8.65407 -16.0209 -36.4874 -54.4969 -36.2579 -1.02392 TIMING: 953800 CPU: 2829.15, 0.00297624/step Wall: 2829.15, 0.00297624/step, 3.34513 hours remaining, 205.429688 MB of memory in use. ENERGY: 953800 762.7170 2095.8486 1927.2347 104.8225 -206156.5740 17719.1459 0.0000 0.0000 34140.4394 -149406.3659 298.1569 -183546.8053 -149312.9482 298.7993 -85.5534 -51.8311 556379.4667 13.7289 13.8226 PRESSURE: 954000 -20.3925 -21.6777 -27.5941 -21.6776 87.912 -45.7855 -27.5945 -45.7862 252.495 GPRESSURE: 954000 7.89314 -10.3161 23.1142 -63.9365 127.259 -70.7927 -29.4849 -91.8021 288.465 PRESSAVG: 954000 18.1742 26.9775 -7.93418 26.9775 -39.3637 31.9667 -7.93423 31.9669 62.2592 GPRESSAVG: 954000 18.2167 26.7706 -8.26142 27.8997 -39.6538 32.2894 -8.31185 32.3801 62.2469 TIMING: 954000 CPU: 2829.74, 0.00296912/step Wall: 2829.74, 0.00296912/step, 3.33696 hours remaining, 205.429688 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: 954000 718.5496 2066.9370 1966.5864 120.8580 -206521.0603 17783.8135 0.0000 0.0000 34271.0286 -149593.2871 299.2974 -183864.3157 -149498.8685 298.3959 106.6716 141.2057 556374.0934 13.6899 13.6033 PRESSURE: 954200 -192.585 -86.9259 -10.1579 -86.9266 -0.252339 -259.03 -10.158 -259.031 102.42 GPRESSURE: 954200 -157.919 -85.5222 35.8219 -110.659 87.7783 -247.752 -94.1696 -220.34 75.1179 PRESSAVG: 954200 5.46237 -40.9653 4.2028 -40.9653 -19.8352 9.03597 4.20276 9.03588 52.0538 GPRESSAVG: 954200 4.96872 -40.1116 4.4152 -42.2977 -19.5572 10.0281 3.73565 8.52211 51.464 TIMING: 954200 CPU: 2830.34, 0.00299176/step Wall: 2830.34, 0.00299176/step, 3.36224 hours remaining, 205.429688 MB of memory in use. ENERGY: 954200 740.9062 2083.9629 1940.0722 124.6693 -206185.0036 17914.5666 0.0000 0.0000 34020.1488 -149360.6777 297.1064 -183380.8265 -149265.7165 298.2221 -30.1388 1.6589 558793.4790 12.5603 12.2918 PRESSURE: 954400 -19.5313 -48.7268 -16.7323 -48.7284 -122.182 5.35169 -16.7325 5.34992 -256.65 GPRESSURE: 954400 48.0643 -54.082 -47.6544 -35.5935 -106.451 18.6256 52.8741 -0.929265 -240.151 PRESSAVG: 954400 -10.7185 38.2029 32.0559 38.2028 7.97656 -17.9964 32.056 -17.9964 -43.6568 GPRESSAVG: 954400 -9.30094 37.9896 33.5191 39.0774 8.05302 -18.9341 32.5029 -17.4013 -44.4087 TIMING: 954400 CPU: 2830.93, 0.00295392/step Wall: 2830.93, 0.00295392/step, 3.31955 hours remaining, 205.429688 MB of memory in use. ENERGY: 954400 780.7980 2115.8673 1932.5076 107.9621 -206442.7961 17931.6859 0.0000 0.0000 34264.0430 -149309.9321 299.2364 -183573.9751 -149221.2889 298.7721 -132.7878 -99.5124 557546.1376 -15.4662 -15.2189 PRESSURE: 954600 -107.639 124.595 70.5675 124.595 -173.965 12.5901 70.5677 12.5908 -140.882 GPRESSURE: 954600 -36.5235 122.455 84.1129 164.067 -130.413 79.2743 54.5357 13.1848 -133.871 PRESSAVG: 954600 64.0887 -50.3491 67.9003 -50.3491 -45.3062 29.5715 67.9002 29.5716 -28.8147 GPRESSAVG: 954600 63.2127 -49.5593 66.9939 -51.2761 -44.8786 30.0613 68.435 29.8375 -27.9334 TIMING: 954600 CPU: 2831.52, 0.00295626/step Wall: 2831.52, 0.00295626/step, 3.32202 hours remaining, 205.429688 MB of memory in use. ENERGY: 954600 718.3029 2127.0622 1972.4391 106.4081 -206052.7102 17639.5306 0.0000 0.0000 33911.9950 -149576.9723 296.1619 -183488.9673 -149483.1151 298.3708 -140.8288 -100.2693 559246.7680 -3.3441 -3.1998 PRESSURE: 954800 -153.497 88.1608 -93.2373 88.1632 -81.9309 -100.679 -93.2376 -100.678 11.2004 GPRESSURE: 954800 -147.676 42.8268 -102.728 170.199 -88.5799 -30.1171 -12.0296 -76.4255 107.525 PRESSAVG: 954800 18.755 28.6181 -58.8949 28.618 -18.3388 7.07033 -58.8949 7.07024 -41.3589 GPRESSAVG: 954800 18.7381 24.5335 -62.1035 29.0984 -19.5542 6.5226 -58.9622 5.81576 -40.3255 TIMING: 954800 CPU: 2832.11, 0.00295624/step Wall: 2832.11, 0.00295624/step, 3.32183 hours remaining, 205.429688 MB of memory in use. ENERGY: 954800 717.1726 2076.7861 1957.6048 112.6407 -206430.5847 17765.3354 0.0000 0.0000 34219.6419 -149581.4032 298.8486 -183801.0451 -149486.3014 298.0329 -74.7424 -42.9105 558138.9847 -13.6476 -13.7139 PRESSURE: 955000 -203.942 -236.689 -25.8613 -236.69 -464.637 -72.5722 -25.8611 -72.571 -170.798 GPRESSURE: 955000 -234.671 -204.453 -21.1312 -221.011 -338.655 -51.4863 -0.610637 -134.084 -174.464 PRESSAVG: 955000 119.554 -31.9729 -48.3792 -31.9729 -65.0265 -0.62354 -48.3792 -0.623397 -1.39924 GPRESSAVG: 955000 119.464 -29.4155 -47.3198 -32.0347 -64.0289 -0.821848 -47.4274 -1.56628 -2.45997 TIMING: 955000 CPU: 2832.7, 0.00294407/step Wall: 2832.7, 0.00294407/step, 3.30798 hours remaining, 205.429688 MB of memory in use. ENERGY: 955000 781.1080 2100.8264 1945.7156 108.8687 -205824.5761 17323.0806 0.0000 0.0000 34159.6557 -149405.3210 298.3248 -183564.9767 -149311.7611 298.6537 -279.7925 -249.2634 558197.9411 17.7094 17.6584 PRESSURE: 955200 -60.6593 14.8845 222.683 14.8851 -25.1234 -17.419 222.683 -17.4201 27.1994 GPRESSURE: 955200 -20.4405 3.51164 213.212 -8.84999 0.155883 48.496 178.03 -67.1072 65.1278 PRESSAVG: 955200 21.6186 -24.2112 -33.2557 -24.2112 -47.4446 -7.77855 -33.2556 -7.77868 16.5438 GPRESSAVG: 955200 21.151 -26.3251 -32.6197 -25.432 -46.7735 -7.98921 -34.5439 -7.6579 16.6424 TIMING: 955200 CPU: 2833.29, 0.0029584/step Wall: 2833.29, 0.0029584/step, 3.32393 hours remaining, 205.429688 MB of memory in use. ENERGY: 955200 765.1250 2120.1362 1959.6604 108.3740 -206479.6857 17946.2387 0.0000 0.0000 34322.3360 -149257.8155 299.7455 -183580.1515 -149162.3792 298.7079 -19.5278 14.9477 558170.6862 -3.0940 -2.9933 PRESSURE: 955400 98.1244 -144.58 -3.90386 -144.582 92.8832 5.25737 -3.90435 5.25713 -57.1804 GPRESSURE: 955400 112.574 -61.2664 33.2853 -105.554 133.924 -18.0002 -62.9979 -12.1188 -25.2511 PRESSAVG: 955400 41.8215 29.5689 20.32 29.5688 -47.544 -32.2606 20.32 -32.2607 5.08002 GPRESSAVG: 955400 41.7412 30.2441 19.8966 30.5257 -48.5543 -34.7242 19.8951 -30.6076 5.57333 TIMING: 955400 CPU: 2833.88, 0.00295416/step Wall: 2833.88, 0.00295416/step, 3.319 hours remaining, 205.429688 MB of memory in use. ENERGY: 955400 759.9107 2072.8098 1949.7406 101.4707 -206398.0565 17903.2818 0.0000 0.0000 34251.0941 -149359.7488 299.1233 -183610.8429 -149266.4182 298.9836 44.6091 73.7490 556700.2833 -0.2142 -0.4133 PRESSURE: 955600 -81.6905 127.738 -126.865 127.737 -4.1704 -49.1709 -126.864 -49.1707 159.514 GPRESSURE: 955600 -17.7852 71.4198 -102.153 101.473 31.4427 -7.2545 -158.372 -62.7707 156.506 PRESSAVG: 955600 41.3697 6.50436 -23.7276 6.5043 27.3291 24.0535 -23.7275 24.0536 -23.4642 GPRESSAVG: 955600 42.0545 6.15836 -22.095 7.01021 26.4122 27.0983 -22.7389 23.0757 -23.0602 TIMING: 955600 CPU: 2834.48, 0.00299373/step Wall: 2834.48, 0.00299373/step, 3.36329 hours remaining, 205.429688 MB of memory in use. ENERGY: 955600 766.2701 2091.3445 1936.2285 118.8760 -206444.8874 17880.7192 0.0000 0.0000 34255.8265 -149395.6225 299.1647 -183651.4491 -149296.1684 299.6195 24.5511 56.7210 558129.6334 15.0782 15.1355 PRESSURE: 955800 -297.548 -182.858 38.725 -182.858 -205.385 -74.2399 38.7239 -74.2399 133.948 GPRESSURE: 955800 -270.526 -62.7082 89.5977 -234.625 -151.925 -70.2595 -51.0204 -73.1591 151.865 PRESSAVG: 955800 17.3675 19.3892 -16.1522 19.3893 -18.2492 -38.0491 -16.1523 -38.0491 -7.69731 GPRESSAVG: 955800 17.7461 20.0404 -16.9533 17.4311 -17.5535 -40.0654 -16.1876 -38.6633 -9.26427 TIMING: 955800 CPU: 2835.08, 0.00296528/step Wall: 2835.08, 0.00296528/step, 3.33117 hours remaining, 205.429688 MB of memory in use. ENERGY: 955800 768.2352 2070.6329 1936.9064 112.1295 -206270.7646 17811.5676 0.0000 0.0000 34116.3591 -149454.9338 297.9466 -183571.2930 -149357.9549 298.9637 -122.9950 -90.1952 557685.9742 -2.8597 -3.0239 PRESSURE: 956000 332.36 -15.743 89.2559 -15.7426 2.02375 17.2068 89.2558 17.2082 -44.6216 GPRESSURE: 956000 429.218 -34.4608 116.05 -43.5078 0.673356 -3.36846 43.7891 -4.85974 -58.4348 PRESSAVG: 956000 17.7815 -19.8629 0.600666 -19.8628 30.895 -34.4797 0.600575 -34.4799 3.88993 GPRESSAVG: 956000 18.5418 -20.533 0.561998 -18.9315 30.4736 -34.8872 0.611359 -33.1029 3.32712 TIMING: 956000 CPU: 2835.67, 0.00296366/step Wall: 2835.67, 0.00296366/step, 3.32918 hours remaining, 205.429688 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: 956000 746.6062 2134.4874 1927.7482 112.8145 -206539.8083 17919.1116 0.0000 0.0000 34283.5195 -149415.5210 299.4065 -183699.0404 -149319.9194 299.0452 96.5875 123.8187 555624.7346 17.5221 17.4475 PRESSURE: 956200 -128.967 -143.45 -6.96494 -143.45 153.323 -16.4663 -6.96434 -16.4673 -179.959 GPRESSURE: 956200 -68.3563 -64.8619 -102.276 -211.059 210.77 -5.53008 -6.04366 -62.2471 -208.222 PRESSAVG: 956200 49.6498 31.234 -35.2729 31.234 20.2505 -32.5452 -35.2729 -32.5451 -37.9347 GPRESSAVG: 956200 48.7306 33.2685 -35.1575 31.0637 19.335 -30.2665 -36.4286 -33.8168 -36.4716 TIMING: 956200 CPU: 2836.26, 0.0029754/step Wall: 2836.26, 0.0029754/step, 3.3422 hours remaining, 205.429688 MB of memory in use. ENERGY: 956200 729.0128 2098.8654 1969.6176 121.1870 -206110.9623 17758.5074 0.0000 0.0000 34077.2027 -149356.5693 297.6047 -183433.7720 -149261.1228 298.7203 -51.8675 -21.9361 558005.6651 10.6552 10.5313 LDB: ============= START OF LOAD BALANCING ============== 2839.69 LDB: ============== END OF LOAD BALANCING =============== 2839.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2839.7 LDB: ============= START OF LOAD BALANCING ============== 2840 LDB: Largest compute 4847 load 0.029091 is 24.7% of average load 0.117778 LDB: Average compute 0.001749 is 1.5% of average load 0.117778 LDB: TIME 2840 LOAD: AVG 0.117778 MAX 0.199677 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.184 MB LDB: TIME 2840 LOAD: AVG 0.117778 MAX 0.199677 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.391 MB LDB: TIME 2840 LOAD: AVG 0.117778 MAX 0.199677 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2840 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2840 PRESSURE: 956400 -159.152 -105.304 186.63 -105.305 34.965 63.7614 186.63 63.7604 -334.962 GPRESSURE: 956400 -118.274 -79.4842 243.897 -159.115 67.7352 50.6665 105.334 118.159 -315.432 PRESSAVG: 956400 39.0993 -55.263 -8.45476 -55.2631 18.1853 -10.7513 -8.45461 -10.7513 -63.9843 GPRESSAVG: 956400 38.4035 -56.6945 -9.55786 -55.3528 19.3657 -11.7458 -6.62644 -9.28501 -65.0931 TIMING: 956400 CPU: 2836.87, 0.0030573/step Wall: 2836.87, 0.0030573/step, 3.43402 hours remaining, 204.644531 MB of memory in use. ENERGY: 956400 737.3827 2137.0621 1958.3148 115.5996 -206305.3374 17706.0643 0.0000 0.0000 34268.1739 -149382.7400 299.2725 -183650.9139 -149280.9424 298.4568 -153.0497 -121.9901 557200.7851 -2.2333 -2.4413 PRESSURE: 956600 116.041 109.799 -35.3945 109.799 117.597 68.9519 -35.3934 68.9526 159.802 GPRESSURE: 956600 148.255 111.469 -8.38416 77.1076 125.215 84.4059 -134.255 39.2562 221.206 PRESSAVG: 956600 6.97045 -7.14118 11.2107 -7.14123 -13.2426 40.2194 11.2108 40.2195 3.01144 GPRESSAVG: 956600 7.57665 -7.10031 11.6181 -4.8265 -15.4125 41.7973 10.7871 37.6602 4.33825 TIMING: 956600 CPU: 2837.47, 0.00296619/step Wall: 2837.47, 0.00296619/step, 3.33153 hours remaining, 204.644531 MB of memory in use. ENERGY: 956600 719.6979 2078.2029 1949.9259 107.5489 -206493.8267 17867.2934 0.0000 0.0000 34320.9077 -149450.2499 299.7330 -183771.1576 -149349.2669 298.8606 131.1469 164.8919 556117.2137 -1.0869 -1.1659 PRESSURE: 956800 -76.1563 -94.7095 11.7073 -94.7095 -401.126 30.2747 11.7079 30.2737 7.15603 GPRESSURE: 956800 -6.6552 -164.937 77.4553 -86.7284 -378.586 62.4954 -30.3473 48.9064 18.9978 PRESSAVG: 956800 -3.46101 44.3679 -5.2921 44.368 -21.0264 36.3989 -5.29212 36.399 -19.4939 GPRESSAVG: 956800 -3.58196 44.1291 -5.8374 42.5991 -20.6891 36.5783 -5.83314 37.4376 -19.8705 TIMING: 956800 CPU: 2838.06, 0.00296353/step Wall: 2838.06, 0.00296353/step, 3.32837 hours remaining, 204.644531 MB of memory in use. ENERGY: 956800 762.6405 2023.0148 1944.7647 122.4117 -206138.8914 17752.9016 0.0000 0.0000 34132.4933 -149400.6647 298.0876 -183533.1580 -149302.1029 298.2868 -156.7088 -122.0811 557321.5852 -14.6604 -14.7138 PRESSURE: 957000 55.041 -40.0274 -14.6811 -40.0263 90.5787 -129.897 -14.6809 -129.894 77.8969 GPRESSURE: 957000 65.8478 -58.0945 -56.912 -55.5716 113.725 -144.525 -27.3662 -103.856 133.718 PRESSAVG: 957000 70.3096 6.20293 -36.2993 6.20287 -13.8267 -25.7681 -36.2993 -25.7681 13.5264 GPRESSAVG: 957000 69.9719 7.54727 -36.268 4.8522 -13.4485 -27.4626 -35.1484 -25.7119 13.1506 TIMING: 957000 CPU: 2838.65, 0.00296357/step Wall: 2838.65, 0.00296357/step, 3.32825 hours remaining, 204.644531 MB of memory in use. ENERGY: 957000 752.8890 2055.6253 1958.8762 108.9234 -206766.1637 18044.2300 0.0000 0.0000 34262.8959 -149582.7239 299.2264 -183845.6198 -149489.2128 298.9797 74.5055 104.4304 555223.7045 23.3364 23.2247 PRESSURE: 957200 -29.6351 -38.2763 5.99345 -38.2773 197.918 -100.191 5.99261 -100.19 -42.5176 GPRESSURE: 957200 15.6946 -3.7296 0.758548 -55.3937 156.331 -84.3513 -53.64 -101.973 54.3228 PRESSAVG: 957200 6.31299 4.07822 -54.7633 4.07829 -54.4408 -43.8048 -54.7633 -43.8048 48.3461 GPRESSAVG: 957200 6.29759 3.16357 -54.6243 5.3064 -54.2955 -43.292 -55.277 -44.832 47.9032 TIMING: 957200 CPU: 2839.25, 0.00296245/step Wall: 2839.25, 0.00296245/step, 3.32683 hours remaining, 204.644531 MB of memory in use. ENERGY: 957200 743.0440 2034.2958 1929.4018 109.5403 -206319.8161 17821.4185 0.0000 0.0000 34229.9832 -149452.1325 298.9390 -183682.1157 -149359.3591 299.2663 41.9216 75.4495 557217.1103 0.0728 -0.0316 PRESSURE: 957400 -9.37402 107.619 108.185 107.619 -202.958 64.7546 108.187 64.754 -41.685 GPRESSURE: 957400 -36.6417 70.4313 79.2236 115.032 -111.146 77.0386 179.211 75.793 -2.55667 PRESSAVG: 957400 10.5121 66.9456 2.67567 66.9456 -60.7683 -29.1274 2.67561 -29.1273 56.1812 GPRESSAVG: 957400 9.95421 68.4129 4.81221 66.542 -60.0267 -28.9861 1.92147 -28.4703 56.265 TIMING: 957400 CPU: 2839.84, 0.00296302/step Wall: 2839.84, 0.00296302/step, 3.32731 hours remaining, 204.644531 MB of memory in use. ENERGY: 957400 749.1166 2097.7759 1929.3407 116.4069 -206032.6027 17693.4617 0.0000 0.0000 34195.0299 -149251.4711 298.6337 -183446.5009 -149155.5243 298.5100 -84.6723 -50.1146 557485.2101 1.9750 2.0642 PRESSURE: 957600 118.215 144.462 -29.2177 144.462 -61.9031 -80.9559 -29.2165 -80.9525 48.1495 GPRESSURE: 957600 121.393 183.025 -1.99474 228.17 -21.323 -193.131 31.1787 -44.7332 104.366 PRESSAVG: 957600 6.12238 43.4384 28.7863 43.4384 -28.0751 -24.1547 28.7861 -24.1546 -13.7304 GPRESSAVG: 957600 6.26587 42.8727 27.3739 44.814 -29.029 -25.6475 27.8081 -23.0767 -12.913 TIMING: 957600 CPU: 2840.43, 0.00296662/step Wall: 2840.43, 0.00296662/step, 3.33119 hours remaining, 204.644531 MB of memory in use. ENERGY: 957600 761.5789 2061.0730 1977.4834 111.5853 -206261.9416 17761.4389 0.0000 0.0000 34252.5037 -149336.2784 299.1356 -183588.7821 -149238.4139 298.6506 34.8204 68.1454 556876.2031 -11.8944 -11.8921 PRESSURE: 957800 -297.672 -91.559 -37.8183 -91.5583 -387.271 -115.886 -37.8186 -115.886 -297.207 GPRESSURE: 957800 -245.502 -95.1202 -5.96543 -90.0897 -380.12 -89.8761 7.09585 -98.1758 -255.187 PRESSAVG: 957800 27.225 0.469488 2.67429 0.469416 -25.6705 -38.7629 2.67425 -38.7628 14.2345 GPRESSAVG: 957800 27.925 0.46682 4.42104 0.0570142 -25.1885 -39.6399 3.84667 -35.2519 13.7089 TIMING: 957800 CPU: 2841.03, 0.0029777/step Wall: 2841.03, 0.0029777/step, 3.34346 hours remaining, 204.644531 MB of memory in use. ENERGY: 957800 758.7814 2134.1525 1940.4098 127.9314 -205767.2729 17331.1146 0.0000 0.0000 34099.0010 -149375.8822 297.7951 -183474.8832 -149274.7445 298.5216 -327.3833 -293.6032 558828.5867 5.2630 5.4818 PRESSURE: 958000 -127.282 85.5484 176.624 85.5481 -201.544 -64.49 176.622 -64.4904 4.21211 GPRESSURE: 958000 -33.0954 38.5693 132.277 41.2334 -214.976 -120.056 205.696 -18.6946 9.98031 PRESSAVG: 958000 3.467 -42.7653 -14.9105 -42.7654 -25.5447 -32.2911 -14.9105 -32.2911 -5.37755 GPRESSAVG: 958000 4.24403 -42.7839 -15.5899 -42.3357 -25.7234 -29.5889 -15.5426 -34.8828 -5.7495 TIMING: 958000 CPU: 2841.62, 0.00297474/step Wall: 2841.62, 0.00297474/step, 3.33997 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: 958000 740.7860 2080.9878 1988.9708 110.0722 -205887.3916 17549.5925 0.0000 0.0000 34291.3160 -149125.6663 299.4746 -183416.9822 -149029.0969 299.1170 -108.2046 -79.3639 557353.2635 -9.1518 -9.0763 PRESSURE: 958200 -84.8433 23.8926 -57.3789 23.893 221.596 4.99208 -57.3776 4.99208 174.08 GPRESSURE: 958200 8.64163 -0.796746 -14.2347 -47.0491 221.122 -35.5851 -10.0502 18.3232 171.103 PRESSAVG: 958200 13.0933 3.91585 34.9919 3.91588 -3.62891 -31.8004 34.9919 -31.8004 -1.26093 GPRESSAVG: 958200 11.2024 3.20417 34.6351 1.92379 -2.85873 -30.5547 35.252 -33.1797 -0.779875 TIMING: 958200 CPU: 2842.22, 0.00298052/step Wall: 2842.22, 0.00298052/step, 3.3463 hours remaining, 204.644531 MB of memory in use. ENERGY: 958200 710.0038 2091.7731 1978.8034 132.2165 -206235.5642 17831.8135 0.0000 0.0000 34210.6261 -149280.3278 298.7699 -183490.9539 -149188.4644 299.7720 103.6109 133.6222 556866.1416 2.7345 2.5212 PRESSURE: 958400 118.205 -45.1604 -95.6589 -45.1603 -152.219 56.8701 -95.6577 56.8703 156.005 GPRESSURE: 958400 90.6909 -77.8514 -120.961 6.5306 -91.4768 -0.59181 -54.8199 96.9548 218.713 PRESSAVG: 958400 -28.5473 35.0696 44.2722 35.0695 74.2224 -36.2644 44.2721 -36.2643 24.8972 GPRESSAVG: 958400 -28.5033 34.6431 44.8998 38.4167 73.3703 -37.2689 43.125 -36.2847 26.303 TIMING: 958400 CPU: 2842.81, 0.00295839/step Wall: 2842.81, 0.00295839/step, 3.32128 hours remaining, 204.644531 MB of memory in use. ENERGY: 958400 737.1324 2076.1569 1964.7897 114.2541 -206035.9918 17699.8972 0.0000 0.0000 34236.9377 -149206.8240 298.9997 -183443.7616 -149114.6468 299.5016 40.6638 72.6425 557853.2636 23.5241 23.7233 PRESSURE: 958600 342.858 -244.558 76.8039 -244.558 183.651 124.702 76.8027 124.702 164.138 GPRESSURE: 958600 331.304 -216.676 -5.60529 -278.663 250.188 21.5059 96.9845 193.722 210.038 PRESSAVG: 958600 9.55718 -27.1142 4.13896 -27.1141 19.6475 -4.913 4.13892 -4.91305 16.7606 GPRESSAVG: 958600 9.80622 -24.7808 4.34422 -30.8688 20.6301 -6.17028 4.69089 -2.69584 15.7545 TIMING: 958600 CPU: 2843.41, 0.00297512/step Wall: 2843.41, 0.00297512/step, 3.33991 hours remaining, 204.644531 MB of memory in use. ENERGY: 958600 725.4602 2098.3170 1963.4392 107.1714 -206617.8076 18127.3887 0.0000 0.0000 34408.7455 -149187.2856 300.5001 -183596.0311 -149095.0016 299.6386 230.2154 263.8436 556412.5433 15.3217 15.3970 PRESSURE: 958800 108.735 -56.4619 -70.0997 -56.4621 72.6676 160.971 -70.0972 160.971 -119.834 GPRESSURE: 958800 99.4199 -51.537 -56.2134 -72.9579 106.988 103.554 -124.695 118.314 -52.2441 PRESSAVG: 958800 -5.10532 -32.6787 5.02481 -32.6787 5.17553 -29.2643 5.02481 -29.2643 -6.71838 GPRESSAVG: 958800 -4.09659 -32.5876 5.26959 -31.5439 5.50774 -28.6503 4.94956 -32.0374 -8.19193 TIMING: 958800 CPU: 2844, 0.00296289/step Wall: 2844, 0.00296289/step, 3.32601 hours remaining, 204.644531 MB of memory in use. ENERGY: 958800 768.0940 2057.6575 1932.9818 114.7620 -206617.6284 18125.8068 0.0000 0.0000 34345.6166 -149272.7098 299.9488 -183618.3264 -149178.6005 299.6488 20.5230 51.3881 559255.1003 -2.2161 -2.2603 PRESSURE: 959000 297.507 37.5821 -29.4273 37.5814 -11.2766 22.273 -29.4269 22.2725 114.442 GPRESSURE: 959000 332.339 55.6618 -5.88266 25.4181 46.2513 -10.6672 17.9805 44.478 116.503 PRESSAVG: 959000 27.0041 8.08326 26.2623 8.08322 -21.4678 5.72225 26.2622 5.72208 -2.72818 GPRESSAVG: 959000 27.0915 7.4036 24.6936 8.4096 -23.1523 4.67372 27.1116 8.15947 -1.17653 TIMING: 959000 CPU: 2844.59, 0.00294585/step Wall: 2844.59, 0.00294585/step, 3.30672 hours remaining, 204.644531 MB of memory in use. ENERGY: 959000 726.9022 2058.6771 1921.6327 123.2788 -206448.9376 18075.2427 0.0000 0.0000 34259.8328 -149283.3713 299.1996 -183543.2041 -149180.7909 298.9418 133.5576 165.0310 557943.5961 0.9360 0.9209 PRESSURE: 959200 80.6677 45.0031 147.42 45.0017 86.3808 -35.3308 147.419 -35.3299 220.405 GPRESSURE: 959200 129.554 47.8734 93.6494 127.76 101.824 68.5218 91.5509 -77.5347 247.414 PRESSAVG: 959200 -7.12877 33.1639 52.8437 33.1639 -46.3754 -21.9943 52.8438 -21.9943 32.2062 GPRESSAVG: 959200 -6.23629 35.4016 54.4752 33.9917 -45.9306 -22.0846 52.9987 -22.3834 30.4639 TIMING: 959200 CPU: 2845.18, 0.00295855/step Wall: 2845.18, 0.00295855/step, 3.3208 hours remaining, 204.644531 MB of memory in use. ENERGY: 959200 734.7292 2139.7255 1939.5508 119.1161 -206697.1720 18084.9566 0.0000 0.0000 34415.7340 -149263.3598 300.5612 -183679.0938 -149165.7306 299.7223 129.1511 159.5977 558533.9034 -7.0993 -7.2343 PRESSURE: 959400 -6.07314 -72.9481 60.7955 -72.9493 23.4543 -132.09 60.7945 -132.09 43.2834 GPRESSURE: 959400 2.29694 21.186 72.2277 14.0674 58.8363 -101.656 59.1802 -94.8004 113.358 PRESSAVG: 959400 -8.36097 9.38059 0.624088 9.38061 3.92181 9.47724 0.624118 9.47709 -11.5303 GPRESSAVG: 959400 -9.17725 8.36834 -0.531672 7.85805 3.96139 10.1096 0.748106 8.27294 -10.7323 TIMING: 959400 CPU: 2845.77, 0.00295744/step Wall: 2845.77, 0.00295744/step, 3.3194 hours remaining, 204.644531 MB of memory in use. ENERGY: 959400 764.1969 2071.4079 1924.1904 121.9637 -206480.7898 18074.8727 0.0000 0.0000 34279.8835 -149244.2746 299.3747 -183524.1582 -149139.5620 299.2048 20.2215 58.1638 558598.7430 -5.3231 -5.3161 PRESSURE: 959600 -235.99 -84.4608 -101.523 -84.4607 -65.5979 41.4375 -101.524 41.4365 -137.398 GPRESSURE: 959600 -196.978 -86.2345 -60.6237 -40.7807 -18.0082 28.1748 -130.804 79.8042 -125.448 PRESSAVG: 959600 -53.8255 -19.7796 -11.6255 -19.7796 41.0178 27.0754 -11.6253 27.0754 -21.4259 GPRESSAVG: 959600 -52.9491 -20.972 -11.6709 -17.9087 40.0747 27.9027 -10.6365 26.4178 -21.0798 TIMING: 959600 CPU: 2846.36, 0.00295057/step Wall: 2846.36, 0.00295057/step, 3.31152 hours remaining, 204.644531 MB of memory in use. ENERGY: 959600 793.4880 2104.3056 1944.7265 103.6048 -206074.3920 17696.1073 0.0000 0.0000 34073.8629 -149358.2968 297.5755 -183432.1597 -149253.2084 298.0296 -146.3286 -113.4781 560124.3480 -11.4112 -11.3180 PRESSURE: 959800 278.69 38.3314 57.0769 38.3321 87.8542 -47.4911 57.0758 -47.4908 128.203 GPRESSURE: 959800 321.247 100.667 58.701 5.25994 103.796 -71.0205 32.9421 -31.7419 166.487 PRESSAVG: 959800 -2.6375 -15.0357 -11.7411 -15.0357 35.3608 23.8245 -11.7411 23.8246 -2.93509 GPRESSAVG: 959800 -3.77669 -14.9 -12.9688 -14.6978 36.572 22.4102 -10.5311 24.6186 -3.72253 TIMING: 959800 CPU: 2846.95, 0.00296511/step Wall: 2846.95, 0.00296511/step, 3.32768 hours remaining, 204.644531 MB of memory in use. ENERGY: 959800 734.1987 2105.3156 1948.0077 94.3419 -206566.2174 18234.1157 0.0000 0.0000 34044.0398 -149406.1979 297.3151 -183450.2377 -149312.0652 297.8709 164.9158 197.1766 557494.1851 9.9294 9.6909 PRESSURE: 960000 146.437 -22.8651 -3.86268 -22.8653 126.119 75.2571 -3.86221 75.256 -104.607 GPRESSURE: 960000 133.571 13.1302 -90.1003 45.072 151.251 152.736 82.7412 13.5196 -21.3382 PRESSAVG: 960000 38.8382 -1.76107 -48.8895 -1.76101 -9.97697 -58.608 -48.8896 -58.6081 -23.2465 GPRESSAVG: 960000 37.9867 -3.80609 -48.3658 -2.62806 -10.2697 -57.712 -50.0344 -59.1844 -21.6893 TIMING: 960000 CPU: 2847.55, 0.00296969/step Wall: 2847.55, 0.00296969/step, 3.33265 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: 960000 696.2980 2156.8932 1958.5013 105.4179 -206326.5965 17828.7655 0.0000 0.0000 34009.3818 -149571.3387 297.0124 -183580.7205 -149474.5801 298.8716 55.9829 87.8280 557306.4150 1.8716 2.0092 PRESSURE: 960200 143.775 -132.737 -17.1826 -132.737 -56.6767 12.5691 -17.1831 12.571 -235.772 GPRESSURE: 960200 147.784 -113.015 -9.76742 -59.0465 41.051 -88.6896 57.1924 35.1867 -234.036 PRESSAVG: 960200 26.2948 3.25606 -1.05682 3.25605 -23.3718 -17.7819 -1.05687 -17.7819 -11.9586 GPRESSAVG: 960200 26.2945 5.59648 -1.15185 3.63978 -23.7905 -18.3837 -1.16155 -16.2096 -12.0098 TIMING: 960200 CPU: 2848.14, 0.0029453/step Wall: 2848.14, 0.0029453/step, 3.30512 hours remaining, 204.644531 MB of memory in use. ENERGY: 960200 747.1282 2132.6555 1906.7025 121.1831 -206607.9662 17889.1300 0.0000 0.0000 34073.0812 -149738.0857 297.5687 -183811.1669 -149642.4731 297.8064 -49.5577 -15.0672 557935.3627 -3.0119 -3.1686 LDB: ============= START OF LOAD BALANCING ============== 2851.56 LDB: ============== END OF LOAD BALANCING =============== 2851.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2851.56 LDB: ============= START OF LOAD BALANCING ============== 2851.86 LDB: Largest compute 4848 load 0.029593 is 25.1% of average load 0.117850 LDB: Average compute 0.001746 is 1.5% of average load 0.117850 LDB: TIME 2851.86 LOAD: AVG 0.11785 MAX 0.194781 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.949 MB LDB: TIME 2851.86 LOAD: AVG 0.11785 MAX 0.194781 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.953 MB LDB: TIME 2851.86 LOAD: AVG 0.11785 MAX 0.194781 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.953 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2851.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2851.87 PRESSURE: 960400 -38.5281 106.751 -136.216 106.752 39.4303 -163.208 -136.216 -163.208 -72.4839 GPRESSURE: 960400 -68.8112 136.059 -228.13 64.4632 62.6641 -160.107 1.46718 -117.88 35.614 PRESSAVG: 960400 -0.209536 -21.7828 8.30221 -21.7828 13.3231 -2.39026 8.3022 -2.39034 -9.61621 GPRESSAVG: 960400 -0.212372 -24.4202 9.64085 -19.731 14.0128 -1.7242 5.94564 -3.03689 -10.3584 TIMING: 960400 CPU: 2848.74, 0.00299544/step Wall: 2848.74, 0.00299544/step, 3.36121 hours remaining, 204.710938 MB of memory in use. ENERGY: 960400 730.1276 2083.6741 1967.0561 108.5873 -206631.6586 18057.5117 0.0000 0.0000 34016.8638 -149667.8379 297.0777 -183684.7017 -149572.0588 297.4211 -23.8606 9.8223 558783.6908 1.1658 1.1474 PRESSURE: 960600 -164.277 -53.434 -50.3812 -53.4344 -219.871 2.72743 -50.3821 2.72744 -129.943 GPRESSURE: 960600 -98.4403 -45.2874 -32.066 -60.6282 -206.553 -60.5106 -19.8558 76.5278 -119.061 PRESSAVG: 960600 -50.7366 7.1595 -5.84454 7.15945 6.67608 42.618 -5.84466 42.618 3.77996 GPRESSAVG: 960600 -50.2849 9.70812 -7.10384 3.88431 8.05408 41.9054 -5.5222 43.4468 1.89364 TIMING: 960600 CPU: 2849.33, 0.00296679/step Wall: 2849.33, 0.00296679/step, 3.3289 hours remaining, 204.710938 MB of memory in use. ENERGY: 960600 764.2393 2078.2484 1923.1938 105.3812 -206281.3360 17712.9198 0.0000 0.0000 34006.8264 -149690.5270 296.9901 -183697.3534 -149591.1496 297.8113 -171.3640 -141.3513 558648.2817 -13.4269 -13.4457 PRESSURE: 960800 -103.528 -39.6878 41.3816 -39.6885 -57.9154 -53.7422 41.3805 -53.7427 -227.25 GPRESSURE: 960800 -43.2643 -23.4009 -4.55284 -49.0026 -46.3311 -2.83917 92.1217 -47.1431 -193.184 PRESSAVG: 960800 -78.0663 -13.4885 48.3457 -13.4885 55.0627 -17.8026 48.3458 -17.8028 8.4578 GPRESSAVG: 960800 -78.1857 -13.2784 46.692 -13.2176 53.5459 -18.7907 50 -18.6123 10.061 TIMING: 960800 CPU: 2849.93, 0.0029848/step Wall: 2849.93, 0.0029848/step, 3.34895 hours remaining, 204.710938 MB of memory in use. ENERGY: 960800 786.7600 2053.3780 1945.2275 119.4962 -206289.1476 17719.1642 0.0000 0.0000 34030.9902 -149634.1315 297.2011 -183665.1217 -149537.1979 298.0772 -129.5642 -94.2596 557371.2017 -4.8486 -4.8596 PRESSURE: 961000 -34.0369 35.0565 7.35572 35.0573 -22.2104 6.13409 7.35502 6.13355 -96.1187 GPRESSURE: 961000 22.5574 35.3344 64.0922 30.9316 -23.7418 62.831 56 60.0392 -56.7648 PRESSAVG: 961000 -30.8884 45.0321 2.66394 45.0321 22.0319 19.7003 2.66393 19.7003 6.25143 GPRESSAVG: 961000 -29.8629 46.5982 5.51438 44.6206 20.181 20.6384 0.595421 18.2238 6.85677 TIMING: 961000 CPU: 2850.52, 0.00295155/step Wall: 2850.52, 0.00295155/step, 3.31147 hours remaining, 204.710938 MB of memory in use. ENERGY: 961000 763.0205 2102.7250 1921.4136 114.1412 -206624.9591 17913.9116 0.0000 0.0000 34053.3192 -149756.4280 297.3961 -183809.7472 -149656.6112 297.8567 -50.7887 -19.3164 557558.6081 -0.8684 -0.9417 PRESSURE: 961200 132.805 22.6966 75.3007 22.6961 21.9608 -8.49504 75.3017 -8.49575 275.601 GPRESSURE: 961200 167.399 -63.7021 18.2337 35.7488 58.1189 -128.349 106.736 61.2415 308.38 PRESSAVG: 961200 -26.736 62.3113 -1.73851 62.3113 -27.7474 -24.089 -1.73857 -24.0891 80.335 GPRESSAVG: 961200 -28.3615 59.4122 -4.2104 62.9126 -25.6935 -26.1785 -0.587092 -23.6831 80.2459 TIMING: 961200 CPU: 2851.11, 0.00294817/step Wall: 2851.11, 0.00294817/step, 3.30752 hours remaining, 204.710938 MB of memory in use. ENERGY: 961200 757.8496 2160.6703 1915.6120 106.8636 -206673.0785 18054.2435 0.0000 0.0000 34164.6445 -149513.1950 298.3683 -183677.8395 -149413.1463 299.0050 143.4555 177.9662 556736.2168 8.6172 8.7303 PRESSURE: 961400 206.595 -2.90255 74.7793 -2.90343 -71.2841 52.1189 74.7789 52.1195 147.343 GPRESSURE: 961400 204.877 19.7478 70.3951 -34.9627 -62.732 58.9835 158.788 58.928 232.086 PRESSAVG: 961400 -51.5672 24.6533 3.82466 24.6534 -23.1126 39.4076 3.82466 39.4076 60.7863 GPRESSAVG: 961400 -52.2113 26.258 5.79689 23.9892 -22.9735 40.4488 1.43333 40.4756 61.2046 TIMING: 961400 CPU: 2851.69, 0.0029414/step Wall: 2851.69, 0.0029414/step, 3.29977 hours remaining, 204.710938 MB of memory in use. ENERGY: 961400 733.9649 2067.8944 1934.4707 108.7903 -206985.7344 18245.4028 0.0000 0.0000 34294.8657 -149600.3456 299.5056 -183895.2113 -149507.5362 298.7925 94.2180 124.7435 557440.1132 -4.6312 -4.6601 PRESSURE: 961600 72.7592 90.8265 -111.426 90.8268 346.057 -53.9877 -111.426 -53.9873 -153.024 GPRESSURE: 961600 128.073 150.384 31.5486 102.663 355.666 9.619 -180.226 -99.4512 -122.24 PRESSAVG: 961600 13.8815 13.9659 22.5673 13.9658 -22.4704 -24.1193 22.5672 -24.1193 27.8285 GPRESSAVG: 961600 14.2932 11.7402 21.1858 16.5899 -22.3935 -23.921 24.2535 -25.7545 27.5631 TIMING: 961600 CPU: 2852.28, 0.00294881/step Wall: 2852.28, 0.00294881/step, 3.30791 hours remaining, 204.710938 MB of memory in use. ENERGY: 961600 731.1221 2047.6167 1911.3668 116.3209 -206308.3371 18025.6639 0.0000 0.0000 34024.9038 -149451.3431 297.1479 -183476.2469 -149353.1412 299.0228 88.5976 120.4995 558829.9767 6.4132 6.4876 PRESSURE: 961800 -59.8593 184.342 40.6261 184.343 -100.913 -34.0948 40.6266 -34.0943 -66.445 GPRESSURE: 961800 -69.3437 179.633 62.9578 153.338 19.7515 5.32023 -83.4799 -2.55174 -83.8814 PRESSAVG: 961800 37.5978 24.5575 32.4238 24.5576 -40.0532 -16.7214 32.4239 -16.7213 18.4811 GPRESSAVG: 961800 38.6637 24.8409 31.535 23.0859 -40.7765 -18.0365 33.4447 -16.2725 17.6856 TIMING: 961800 CPU: 2852.88, 0.00297262/step Wall: 2852.88, 0.00297262/step, 3.33445 hours remaining, 204.710938 MB of memory in use. ENERGY: 961800 722.7273 2101.1593 1958.5722 105.9675 -206087.6517 17592.7883 0.0000 0.0000 34343.4035 -149263.0336 299.9295 -183606.4371 -149166.6044 298.4750 -75.7393 -44.4912 557052.9860 5.3419 5.1909 PRESSURE: 962000 21.7022 -120.683 141.999 -120.684 70.2011 -37.1001 141.999 -37.1016 95.0549 GPRESSURE: 962000 70.7698 -125.755 181.446 -117.787 112.208 -46.71 186.943 -114.156 93.4067 PRESSAVG: 962000 -15.5385 25.1913 -8.57363 25.1914 59.1301 -12.607 -8.5736 -12.6071 6.94707 GPRESSAVG: 962000 -15.7431 24.2956 -8.14006 27.2618 58.6564 -10.5892 -8.89823 -13.7744 7.78728 TIMING: 962000 CPU: 2853.48, 0.00299009/step Wall: 2853.48, 0.00299009/step, 3.35389 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: 962000 745.8615 2106.3983 1959.9978 117.1271 -206116.6567 17787.9552 0.0000 0.0000 34350.5381 -149048.7786 299.9918 -183399.3168 -148959.0565 299.7317 62.3194 92.1282 555699.3922 16.8462 16.9002 PRESSURE: 962200 -231.816 33.5035 7.2479 33.5028 248.768 -153.404 7.24773 -153.405 -166.829 GPRESSURE: 962200 -196.111 62.8112 -14.6101 -17.508 283.626 -136.81 -19.8884 -82.0259 -140.107 PRESSAVG: 962200 -34.201 -21.7573 46.2161 -21.7572 12.5421 -23.4413 46.2161 -23.4413 65.0327 GPRESSAVG: 962200 -34.5929 -20.9873 47.9411 -22.3152 13.9372 -23.2668 44.1234 -23.5562 63.8901 TIMING: 962200 CPU: 2854.07, 0.00299057/step Wall: 2854.07, 0.00299057/step, 3.35426 hours remaining, 204.710938 MB of memory in use. ENERGY: 962200 768.3367 2132.2515 1925.8301 118.7338 -206033.2230 17708.9417 0.0000 0.0000 34202.1557 -149176.9734 298.6959 -183379.1291 -149080.2588 300.1882 -49.9587 -17.5307 557458.5263 14.4579 14.4115 PRESSURE: 962400 -330.841 104.207 -77.746 104.206 -52.9211 65.5658 -77.747 65.565 -176.019 GPRESSURE: 962400 -244.584 59.8718 49.0104 150.556 -43.3339 33.506 -162.822 -9.32803 -156.74 PRESSAVG: 962400 -44.9773 -25.8085 -0.195547 -25.8085 52.7371 -50.7447 -0.195542 -50.7447 -10.213 GPRESSAVG: 962400 -44.4342 -25.2302 -1.73462 -26.3288 52.2164 -49.5273 1.59555 -49.5449 -10.3679 TIMING: 962400 CPU: 2854.67, 0.00299506/step Wall: 2854.67, 0.00299506/step, 3.35912 hours remaining, 204.710938 MB of memory in use. ENERGY: 962400 781.4684 2033.9867 1935.4453 119.2549 -206449.3427 17817.6194 0.0000 0.0000 34616.9630 -149144.6050 302.3185 -183761.5680 -149038.2975 299.7936 -186.5937 -148.2194 558818.0561 -0.8177 -0.8619 PRESSURE: 962600 212.349 -23.5614 -79.3552 -23.5613 186.756 105.874 -79.3551 105.873 9.62846 GPRESSURE: 962600 218.735 11.0648 21.3331 -67.0554 219.072 135.525 -71.927 73.5834 79.5605 PRESSAVG: 962600 23.0019 18.2581 -23.6909 18.2581 -22.4601 -48.9069 -23.691 -48.9069 -6.58722 GPRESSAVG: 962600 22.2403 18.0482 -22.3537 15.7083 -22.9032 -51.0386 -23.2609 -49.1513 -5.23223 TIMING: 962600 CPU: 2855.27, 0.00297361/step Wall: 2855.27, 0.00297361/step, 3.3349 hours remaining, 204.710938 MB of memory in use. ENERGY: 962600 745.9688 2085.2019 1924.1051 109.5954 -206312.3174 17922.6179 0.0000 0.0000 34263.7124 -149261.1159 299.2335 -183524.8283 -149166.2034 299.3981 136.2444 172.4556 557317.4288 -2.0152 -1.9651 PRESSURE: 962800 13.5943 104.431 -28.5337 104.433 -153.229 -48.736 -28.5333 -48.736 -330.021 GPRESSURE: 962800 21.7491 168.805 18.4145 10.082 -78.0484 -59.7071 -54.7639 -17.4721 -313.702 PRESSAVG: 962800 75.5389 36.5186 -29.6433 36.5187 -60.1082 6.74692 -29.6433 6.74686 -64.7295 GPRESSAVG: 962800 75.4421 37.6672 -28.5096 37.2428 -60.6013 6.07697 -30.7761 6.92341 -64.3397 TIMING: 962800 CPU: 2855.87, 0.00299847/step Wall: 2855.87, 0.00299847/step, 3.36261 hours remaining, 204.710938 MB of memory in use. ENERGY: 962800 731.2694 2100.2658 1952.8630 109.1608 -206217.4763 17749.9991 0.0000 0.0000 34201.4919 -149372.4263 298.6901 -183573.9182 -149275.0949 298.7383 -156.5517 -123.3336 558936.1683 -16.4329 -16.4996 PRESSURE: 963000 42.7315 -44.8809 113.167 -44.8806 127.942 64.2692 113.168 64.2706 45.6733 GPRESSURE: 963000 67 -139.562 203.244 -15.3632 201.18 69.8889 23.654 92.8646 41.1257 PRESSAVG: 963000 -4.35052 -30.6716 0.392438 -30.6717 37.1994 22.531 0.392531 22.531 -17.4975 GPRESSAVG: 963000 -4.92793 -32.3975 0.617841 -28.4776 38.3004 23.4658 -0.709292 20.6555 -17.6942 TIMING: 963000 CPU: 2856.46, 0.00297841/step Wall: 2856.46, 0.00297841/step, 3.33996 hours remaining, 204.710938 MB of memory in use. ENERGY: 963000 779.8930 2074.5015 1959.3797 120.1868 -206619.1446 18025.3042 0.0000 0.0000 34291.1292 -149368.7501 299.4730 -183659.8793 -149267.3190 298.2344 72.1157 103.1018 555728.5557 5.1171 5.2261 PRESSURE: 963200 -187.748 21.9645 -173.945 21.9649 -89.6556 -64.4594 -173.946 -64.4585 -22.2918 GPRESSURE: 963200 -192.604 47.9393 -134.528 -5.1051 -35.3983 -79.4864 -217.224 -72.2355 14.8448 PRESSAVG: 963200 -40.7812 -17.6153 -0.886258 -17.6153 20.6814 17.8194 -0.886171 17.8194 38.2536 GPRESSAVG: 963200 -40.9567 -18.3823 -2.99526 -17.0885 20.624 17.8878 2.03925 16.4745 38.1451 TIMING: 963200 CPU: 2857.06, 0.00298782/step Wall: 2857.06, 0.00298782/step, 3.35034 hours remaining, 204.710938 MB of memory in use. ENERGY: 963200 799.6009 2075.6669 1948.5327 108.7900 -206185.4020 17716.1895 0.0000 0.0000 34386.3558 -149150.2662 300.3046 -183536.6220 -149049.8019 299.6369 -99.8984 -71.0524 557472.9159 6.0513 5.9375 PRESSURE: 963400 -90.5098 157.061 -54.3688 157.06 113.006 52.6814 -54.3674 52.6821 106.261 GPRESSURE: 963400 -75.6637 215.01 8.71068 138.983 199.852 162.789 -32.2085 -29.3558 100.839 PRESSAVG: 963400 35.1285 37.4403 24.2524 37.4402 19.019 -0.516242 24.2524 -0.516231 -66.5809 GPRESSAVG: 963400 35.7766 38.5313 26.3449 35.1103 20.1191 -1.14795 24.784 2.31814 -68.0943 TIMING: 963400 CPU: 2857.65, 0.00296444/step Wall: 2857.65, 0.00296444/step, 3.32396 hours remaining, 204.710938 MB of memory in use. ENERGY: 963400 718.0732 2012.7906 1948.5070 107.4347 -206136.0533 17974.6270 0.0000 0.0000 34225.0164 -149149.6044 298.8956 -183374.6208 -149051.8352 299.2784 42.9193 75.0093 558334.5522 -4.1445 -4.0662 PRESSURE: 963600 -72.3185 13.9332 94.9346 13.9328 -180.884 -24.9731 94.9347 -24.973 -11.375 GPRESSURE: 963600 -46.6258 -67.1279 136.358 -15.9534 -131.995 110.095 96.2157 -39.5659 14.3378 PRESSAVG: 963600 -23.1637 52.5631 29.2465 52.5632 -23.0164 -1.27748 29.2465 -1.27755 46.2365 GPRESSAVG: 963600 -23.9162 52.202 28.2905 53.7701 -23.9054 0.816074 27.3856 -3.69865 47.8555 TIMING: 963600 CPU: 2858.25, 0.00298093/step Wall: 2858.25, 0.00298093/step, 3.34229 hours remaining, 204.710938 MB of memory in use. ENERGY: 963600 749.6195 2043.6696 1982.7253 108.8468 -205869.9553 17564.4805 0.0000 0.0000 34203.8867 -149216.7270 298.7110 -183420.6137 -149119.1032 298.6294 -88.1924 -54.7609 558775.0846 0.0188 0.0113 PRESSURE: 963800 225.259 158.093 -136.053 158.093 -274.86 48.607 -136.053 48.6087 -237.824 GPRESSURE: 963800 255.994 204.989 -133.79 149.152 -210.581 48.8837 -95.872 62.2686 -244.736 PRESSAVG: 963800 29.4499 -10.0065 -6.47387 -10.0065 -83.5751 -23.6209 -6.47399 -23.621 70.2206 GPRESSAVG: 963800 30.4792 -8.52248 -6.81547 -10.2345 -83.4099 -25.6286 -4.42027 -20.8377 69.2734 TIMING: 963800 CPU: 2858.85, 0.00299053/step Wall: 2858.85, 0.00299053/step, 3.35289 hours remaining, 204.710938 MB of memory in use. ENERGY: 963800 761.1306 2031.0943 1961.0849 114.6090 -206251.6579 17896.6980 0.0000 0.0000 34359.9313 -149127.1098 300.0738 -183487.0411 -149026.7395 299.2710 -95.8080 -66.4412 559305.9090 5.3651 5.4476 PRESSURE: 964000 -119.136 268.52 -38.0114 268.52 -107.783 21.9584 -38.0113 21.9595 118.156 GPRESSURE: 964000 -45.1812 257.644 -88.9979 322.067 -102.808 28.8606 6.567 26.5742 128.243 PRESSAVG: 964000 -7.57906 3.29586 -22.0521 3.29601 -63.7857 -5.02645 -22.052 -5.02642 74.0565 GPRESSAVG: 964000 -7.63174 1.84117 -21.8226 1.98578 -63.9233 -5.38423 -23.4859 -3.61074 74.571 TIMING: 964000 CPU: 2859.45, 0.00298992/step Wall: 2859.45, 0.00298992/step, 3.35203 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: 964000 748.1919 2111.9926 1928.7282 107.2116 -205840.5933 17807.2698 0.0000 0.0000 34107.8963 -149029.3029 297.8727 -183137.1992 -148932.0129 299.1327 -36.2543 -6.5819 559946.4270 0.8972 1.0053 PRESSURE: 964200 -197.427 -201.352 -148.269 -201.351 -220.155 -155.051 -148.269 -155.051 45.746 GPRESSURE: 964200 -106.702 -166.717 -87.3613 -211.491 -241.697 -145.668 -182.421 -143.158 79.5862 PRESSAVG: 964200 34.7444 -5.65603 -64.1059 -5.65612 -75.5749 -27.7542 -64.1059 -27.7542 61.016 GPRESSAVG: 964200 35.547 -6.64136 -64.5924 -4.10737 -75.1525 -28.1575 -63.5195 -29.2715 60.5564 TIMING: 964200 CPU: 2860.04, 0.0029787/step Wall: 2860.04, 0.0029787/step, 3.33929 hours remaining, 204.710938 MB of memory in use. ENERGY: 964200 752.5828 2080.9888 1979.6740 117.0697 -206111.4065 17642.3418 0.0000 0.0000 34597.7790 -148940.9703 302.1510 -183538.7494 -148843.9098 300.1474 -123.9454 -89.6042 559385.9577 6.7285 6.9836 LDB: ============= START OF LOAD BALANCING ============== 2863.47 LDB: ============== END OF LOAD BALANCING =============== 2863.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2863.47 LDB: ============= START OF LOAD BALANCING ============== 2863.77 LDB: Largest compute 4820 load 0.031179 is 26.5% of average load 0.117845 LDB: Average compute 0.001743 is 1.5% of average load 0.117845 LDB: TIME 2863.77 LOAD: AVG 0.117845 MAX 0.197881 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 2863.77 LOAD: AVG 0.117845 MAX 0.197881 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: TIME 2863.77 LOAD: AVG 0.117845 MAX 0.197881 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2863.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2863.78 PRESSURE: 964400 88.7956 57.8963 -23.8167 57.8975 -95.4029 -166.702 -23.8165 -166.7 -312.399 GPRESSURE: 964400 142.053 11.9969 -78.126 174.101 -57.0947 -163.258 -11.4023 -156.809 -308.594 PRESSAVG: 964400 -10.7617 35.9359 -12.9737 35.9359 -71.4175 -13.1967 -12.9737 -13.1968 55.1545 GPRESSAVG: 964400 -10.296 36.4683 -13.3023 36.0919 -71.5006 -12.525 -11.7164 -12.4871 55.0744 TIMING: 964400 CPU: 2860.65, 0.00303105/step Wall: 2860.65, 0.00303105/step, 3.39781 hours remaining, 206.968750 MB of memory in use. ENERGY: 964400 753.3839 2124.7832 1978.5720 112.5537 -205987.5591 17647.8928 0.0000 0.0000 34458.9516 -148911.4220 300.9386 -183370.3736 -148813.9526 300.0315 -106.3356 -74.5450 558430.2284 -9.0082 -8.9074 PRESSURE: 964600 -292.22 -98.5541 161.489 -98.5527 120.56 -59.976 161.489 -59.972 81.3613 GPRESSURE: 964600 -210.145 -76.3823 110.181 -66.6481 122.628 -42.3748 213.345 -90.5437 96.9779 PRESSAVG: 964600 -36.5185 -8.57389 -14.5299 -8.57378 -4.5174 -16.6848 -14.5299 -16.6847 24.1448 GPRESSAVG: 964600 -37.2978 -4.86041 -13.8029 -10.5965 -4.37848 -16.0582 -15.0333 -17.9131 25.0541 TIMING: 964600 CPU: 2861.24, 0.00297235/step Wall: 2861.24, 0.00297235/step, 3.33184 hours remaining, 206.968750 MB of memory in use. ENERGY: 964600 757.3517 2131.7835 1946.1670 113.2013 -206370.8541 18061.2158 0.0000 0.0000 34461.0317 -148900.1029 300.9568 -183361.1346 -148810.0456 299.8954 -30.0995 3.1538 558857.1362 -5.6304 -5.5407 PRESSURE: 964800 -294.137 159.621 -1.6111 159.621 -377.916 -64.5156 -1.61159 -64.5169 -288.663 GPRESSURE: 964800 -273.035 87.0499 33.3214 235.861 -378.898 -31.5856 -19.9082 23.1293 -209.337 PRESSAVG: 964800 -40.3846 42.6685 -1.56328 42.6685 19.7361 5.96588 -1.56325 5.96588 16.5419 GPRESSAVG: 964800 -38.9168 38.8146 -2.18338 44.6896 19.6794 4.67614 -1.16656 6.89515 15.4163 TIMING: 964800 CPU: 2861.84, 0.00298622/step Wall: 2861.84, 0.00298622/step, 3.34722 hours remaining, 206.968750 MB of memory in use. ENERGY: 964800 788.1972 2125.2076 1980.1959 108.3488 -205791.1739 17526.3734 0.0000 0.0000 34334.0875 -148928.7635 299.8481 -183262.8510 -148839.0271 300.8066 -320.2387 -287.0900 561076.2360 -1.3689 -1.2737 PRESSURE: 965000 -152.365 -3.00734 -173.131 -3.00634 -223.306 -17.9013 -173.131 -17.9022 43.4317 GPRESSURE: 965000 -117.277 -43.7625 -225.685 38.1056 -179.341 -50.6246 -174.128 22.8976 63.1051 PRESSAVG: 965000 -58.5252 -24.8359 -24.9453 -24.8359 40.2396 39.7708 -24.9454 39.7708 60.54 GPRESSAVG: 965000 -59.0779 -23.0623 -24.9308 -26.6965 39.8038 41.6077 -26.2653 38.9451 61.151 TIMING: 965000 CPU: 2862.44, 0.00298534/step Wall: 2862.44, 0.00298534/step, 3.34606 hours remaining, 206.968750 MB of memory in use. ENERGY: 965000 809.7365 2108.8583 1952.7981 115.1226 -206233.7323 17924.1432 0.0000 0.0000 34379.0058 -148944.0679 300.2404 -183323.0737 -148844.4976 299.4571 -110.7463 -77.8378 560146.6449 14.0848 13.9590 PRESSURE: 965200 89.6403 -87.8106 132.821 -87.8115 55.391 77.6434 132.822 77.6449 153.761 GPRESSURE: 965200 89.585 -126.961 149.049 -106.875 59.8664 75.8108 131.573 -26.6645 261.051 PRESSAVG: 965200 -3.93692 -77.6362 -23.8981 -77.6362 -15.2702 -31.5311 -23.8981 -31.5312 29.2447 GPRESSAVG: 965200 -4.48392 -77.7284 -21.0285 -77.6479 -13.8478 -30.9363 -26.1583 -31.0794 28.5706 TIMING: 965200 CPU: 2863.03, 0.0029735/step Wall: 2863.03, 0.0029735/step, 3.33263 hours remaining, 206.968750 MB of memory in use. ENERGY: 965200 722.9751 2070.7030 1978.5841 114.6744 -206029.9432 17886.8549 0.0000 0.0000 34211.4879 -149044.6637 298.7774 -183256.1516 -148947.9963 299.9317 99.5974 136.8342 558623.0824 3.3459 3.4130 PRESSURE: 965400 -125.764 9.55465 -14.0557 9.55193 31.4741 -31.7427 -14.0548 -31.7431 -1.8606 GPRESSURE: 965400 -79.2685 56.6138 -85.1652 35.8004 91.3022 50.8036 50.748 -48.2926 5.87493 PRESSAVG: 965400 -74.3097 -55.0182 12.6019 -55.0182 12.9431 -29.6854 12.6019 -29.6853 7.47643 GPRESSAVG: 965400 -73.6089 -55.6851 12.4589 -52.71 12.3817 -29.7435 13.9903 -30.2646 7.68411 TIMING: 965400 CPU: 2863.63, 0.00300695/step Wall: 2863.63, 0.00300695/step, 3.36995 hours remaining, 206.968750 MB of memory in use. ENERGY: 965400 745.0456 2070.0995 1983.0352 115.3486 -206099.1981 17719.9686 0.0000 0.0000 34437.6727 -149028.0279 300.7528 -183465.7006 -148933.0212 299.1611 -32.0502 5.9696 559024.8927 -17.9634 -17.8477 PRESSURE: 965600 -66.6403 9.33632 87.3541 9.33709 -13.6849 -32.8453 87.3544 -32.8473 -59.7014 GPRESSURE: 965600 -30.2561 -101.238 31.11 -1.49139 66.4542 -82.2506 195.931 -5.61024 -81.0624 PRESSAVG: 965600 -51.4861 -31.8754 3.01833 -31.8754 71.185 -44.7753 3.01825 -44.7755 -29.7036 GPRESSAVG: 965600 -50.973 -33.1829 2.6281 -32.2876 69.7754 -44.7252 3.35966 -44.8019 -28.8467 TIMING: 965600 CPU: 2864.23, 0.00299899/step Wall: 2864.23, 0.00299899/step, 3.36087 hours remaining, 206.968750 MB of memory in use. ENERGY: 965600 738.9047 2085.4565 1972.6653 106.2945 -206437.8723 17855.3044 0.0000 0.0000 34533.1537 -149146.0933 301.5866 -183679.2470 -149053.8317 299.6189 -46.6755 -14.9548 559379.1729 -3.3349 -3.3481 PRESSURE: 965800 65.1588 -77.2957 68.1576 -77.2945 -175.636 -55.5181 68.1578 -55.5161 -122.292 GPRESSURE: 965800 56.3951 -22.753 88.3653 -11.8092 -100.05 -13.6701 23.8523 10.7045 -97.7352 PRESSAVG: 965800 -44.6148 -42.5096 46.32 -42.5096 -14.9912 -49.0517 46.32 -49.0518 0.607966 GPRESSAVG: 965800 -45.423 -41.1285 44.7914 -42.4646 -14.8613 -49.2989 45.5144 -48.496 1.29565 TIMING: 965800 CPU: 2864.83, 0.00298431/step Wall: 2864.83, 0.00298431/step, 3.34425 hours remaining, 206.968750 MB of memory in use. ENERGY: 965800 757.0299 2172.2709 1959.4449 107.5232 -205696.5078 17663.1465 0.0000 0.0000 33979.6902 -149057.4022 296.7531 -183037.0924 -148956.8275 299.7028 -77.5899 -47.1300 560088.2797 -19.6660 -19.6629 PRESSURE: 966000 -356.772 74.9001 -99.7053 74.8998 -136.093 -24.5865 -99.704 -24.5877 -334.199 GPRESSURE: 966000 -275.829 141.351 -116.711 22.6462 -169.991 -44.8052 -143.55 114.812 -284.922 PRESSAVG: 966000 23.6321 -46.7927 0.470595 -46.7927 -7.32129 -2.78784 0.470491 -2.78786 12.1073 GPRESSAVG: 966000 24.7767 -48.0063 0.435237 -46.7 -7.91453 -3.39795 0.651601 -1.45445 11.9632 TIMING: 966000 CPU: 2865.42, 0.00297073/step Wall: 2865.42, 0.00297073/step, 3.32886 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: 966000 744.0958 2097.6963 1947.0152 111.0997 -205654.6340 17319.0502 0.0000 0.0000 34290.6465 -149145.0301 299.4687 -183435.6767 -149048.9831 299.6453 -275.6884 -243.5808 560570.2179 9.4727 9.6085 PRESSURE: 966200 -21.8996 50.0117 -166.064 50.0129 37.4502 -14.7858 -166.064 -14.786 69.6739 GPRESSURE: 966200 -11.4951 84.2983 -176.893 1.34935 104.154 30.9624 -102.47 -36.8656 88.6629 PRESSAVG: 966200 0.456121 -59.4732 -6.39811 -59.4732 20.2164 6.97371 -6.39812 6.97371 -34.8388 GPRESSAVG: 966200 0.30529 -58.6524 -5.87153 -59.2205 19.702 7.59544 -5.80967 3.76403 -34.0194 TIMING: 966200 CPU: 2866.02, 0.00296587/step Wall: 2866.02, 0.00296587/step, 3.32326 hours remaining, 206.968750 MB of memory in use. ENERGY: 966200 734.1496 2101.0005 1986.0564 106.3216 -206082.7065 17634.9277 0.0000 0.0000 34244.2976 -149275.9532 299.0640 -183520.2508 -149179.5671 299.2438 28.4082 60.4407 557808.6898 -4.7221 -4.6707 PRESSURE: 966400 248.16 -63.4217 -3.79524 -63.4218 185.046 217.731 -3.79489 217.731 -85.1285 GPRESSURE: 966400 265.881 -134.849 -32.0291 -2.5766 264.207 264.569 50.7422 253.631 -75.0447 PRESSAVG: 966400 -69.3621 -54.5326 3.62813 -54.5326 16.9852 81.3631 3.62819 81.3631 2.05231 GPRESSAVG: 966400 -70.1834 -54.5989 1.69954 -56.2815 18.5436 81.8323 5.88236 83.4026 1.31832 TIMING: 966400 CPU: 2866.61, 0.00297407/step Wall: 2866.61, 0.00297407/step, 3.33228 hours remaining, 206.968750 MB of memory in use. ENERGY: 966400 752.6580 2048.9912 1941.7914 99.1628 -206328.4617 18057.7483 0.0000 0.0000 34122.8494 -149305.2607 298.0033 -183428.1101 -149207.7872 298.6643 116.0258 151.6813 558140.0584 -16.7749 -16.7738 PRESSURE: 966600 -122.263 -30.8119 -103.044 -30.8129 -33.3615 -126.138 -103.044 -126.137 -138.23 GPRESSURE: 966600 -99.1984 -119.67 -153.612 -54.6214 12.2101 -121.884 -23.1342 -131.918 -113.597 PRESSAVG: 966600 35.1381 47.1254 -2.81978 47.1254 5.05831 62.9876 -2.81971 62.9876 -26.1981 GPRESSAVG: 966600 35.3718 44.6696 -0.628606 49.9832 5.35379 63.1212 -3.78805 62.4278 -26.528 TIMING: 966600 CPU: 2867.21, 0.00297269/step Wall: 2867.21, 0.00297269/step, 3.33057 hours remaining, 206.968750 MB of memory in use. ENERGY: 966600 775.6133 2120.1083 1971.3460 106.5170 -206230.0882 17664.4362 0.0000 0.0000 34165.9493 -149426.1182 298.3797 -183592.0675 -149326.8761 298.8764 -97.9518 -66.8617 556667.3835 4.6661 4.7325 PRESSURE: 966800 129.674 -15.0981 6.72254 -15.0997 118.885 14.5954 6.72273 14.5938 -35.3671 GPRESSURE: 966800 239.687 -50.893 50.6015 54.2457 125.567 64.6603 21.3749 -37.8895 -49.9827 PRESSAVG: 966800 45.2731 -27.2593 15.8686 -27.2592 -34.1822 15.9547 15.8686 15.9546 -26.4327 GPRESSAVG: 966800 44.8813 -25.7204 15.3121 -28.5161 -35.421 15.5886 15.0067 15.9914 -24.8403 TIMING: 966800 CPU: 2867.8, 0.00298401/step Wall: 2867.8, 0.00298401/step, 3.34309 hours remaining, 206.968750 MB of memory in use. ENERGY: 966800 745.9354 2131.0782 1991.0130 110.7795 -206056.2181 17785.4305 0.0000 0.0000 34149.2479 -149142.7335 298.2339 -183291.9815 -149046.2632 299.4164 71.0640 105.0905 556592.6187 -5.1140 -5.1267 PRESSURE: 967000 -119.296 -60.647 -75.0987 -60.6468 34.7584 25.7792 -75.0986 25.7796 133.671 GPRESSURE: 967000 -4.62472 -22.4833 -14.4849 24.1957 6.88658 70.3344 -109.404 -21.69 129.311 PRESSAVG: 967000 14.8817 -15.8297 -64.0514 -15.8296 -48.8064 3.2166 -64.0512 3.21663 36.8377 GPRESSAVG: 967000 15.4273 -17.0201 -63.4873 -14.6456 -47.7802 4.76353 -64.3824 1.05201 35.2176 TIMING: 967000 CPU: 2868.4, 0.00297601/step Wall: 2868.4, 0.00297601/step, 3.33396 hours remaining, 206.968750 MB of memory in use. ENERGY: 967000 759.5102 2128.2945 1959.5330 131.9907 -206308.5936 17958.6994 0.0000 0.0000 34351.4644 -149019.1015 299.9999 -183370.5659 -148926.9049 299.8145 16.3777 43.8576 558002.2393 0.9710 0.9549 PRESSURE: 967200 105.463 -5.9239 115.62 -5.92324 69.7366 -172.26 115.62 -172.26 146.775 GPRESSURE: 967200 177.989 62.6466 52.2416 -45.8474 123.292 -63.4659 71.9929 -219.284 121.061 PRESSAVG: 967200 -39.0778 18.6201 -75.409 18.62 80.8942 -22.905 -75.409 -22.9051 -35.2303 GPRESSAVG: 967200 -38.2961 22.6364 -74.8651 14.2856 80.6343 -24.7909 -73.9941 -19.6757 -35.2851 TIMING: 967200 CPU: 2868.99, 0.00296712/step Wall: 2868.99, 0.00296712/step, 3.32383 hours remaining, 206.968750 MB of memory in use. ENERGY: 967200 807.5162 2105.9792 1933.8108 113.1805 -206336.4559 17966.7586 0.0000 0.0000 34296.1649 -149113.0457 299.5169 -183409.2106 -149014.4321 299.3408 107.3250 140.7808 556348.2648 2.1954 2.3510 PRESSURE: 967400 -63.5311 26.7876 9.34941 26.7876 -35.9752 -84.7405 9.34933 -84.7408 321.423 GPRESSURE: 967400 -33.8514 -72.264 40.6154 -5.18277 -26.0481 -61.7051 -37.4437 -30.6699 392.96 PRESSAVG: 967400 -6.5047 17.8393 -12.3595 17.8392 -33.3714 20.1646 -12.3595 20.1648 35.3701 GPRESSAVG: 967400 -7.13479 15.6855 -12.9041 20.7015 -32.9081 19.1485 -13.5551 19.75 35.6658 TIMING: 967400 CPU: 2869.58, 0.00295168/step Wall: 2869.58, 0.00295168/step, 3.30637 hours remaining, 206.968750 MB of memory in use. ENERGY: 967400 767.9811 2136.2813 1934.7832 110.1817 -206503.8319 18057.9203 0.0000 0.0000 34386.4867 -149110.1976 300.3057 -183496.6843 -149011.2927 300.1384 73.9722 111.0201 557440.7103 -1.5020 -1.4590 PRESSURE: 967600 60.3763 -34.8593 110.646 -34.8587 175.269 2.86408 110.646 2.86404 76.4889 GPRESSURE: 967600 92.4574 -62.7269 70.618 57.2069 150.612 -6.16779 100.888 -79.3552 173.598 PRESSAVG: 967600 -9.95072 -5.60079 -44.829 -5.60075 10.5162 -3.93429 -44.829 -3.93423 20.4799 GPRESSAVG: 967600 -9.56218 -6.93662 -45.0911 -5.7578 8.72434 -2.78801 -44.9851 -6.04443 21.7187 TIMING: 967600 CPU: 2870.17, 0.00293806/step Wall: 2870.17, 0.00293806/step, 3.29096 hours remaining, 206.968750 MB of memory in use. ENERGY: 967600 774.4382 2100.3952 1951.8660 114.3048 -206323.0254 18028.4215 0.0000 0.0000 34029.3668 -149324.2328 297.1869 -183353.5997 -149226.5175 299.4277 104.0446 138.8892 556730.8834 7.0151 6.9603 PRESSURE: 967800 52.193 -220.992 -12.3451 -220.991 -68.7246 -101.198 -12.3449 -101.2 139.549 GPRESSURE: 967800 90.7217 -152.988 -54.3805 -167.361 -35.4822 -202.567 11.8158 -84.8705 151.159 PRESSAVG: 967800 -7.82403 32.5043 -51.8859 32.5043 -28.6049 -35.0631 -51.886 -35.063 16.5976 GPRESSAVG: 967800 -7.73884 32.6873 -51.7102 33.3654 -27.5717 -34.1274 -51.1134 -36.4895 15.5746 TIMING: 967800 CPU: 2870.77, 0.00298322/step Wall: 2870.77, 0.00298322/step, 3.34138 hours remaining, 206.968750 MB of memory in use. ENERGY: 967800 708.7794 2135.5159 1946.2889 115.4457 -206232.0334 17755.1399 0.0000 0.0000 34103.2197 -149467.6437 297.8319 -183570.8634 -149372.2513 298.7101 41.0057 68.7996 555761.8217 -6.6105 -6.5786 PRESSURE: 968000 -61.7283 54.0681 30.4561 54.0687 -311.744 -2.55451 30.4557 -2.55573 -500.037 GPRESSURE: 968000 -30.2941 77.3905 6.77414 24.3528 -287.557 4.90258 -35.1392 24.336 -446.297 PRESSAVG: 968000 26.2659 -5.68689 -39.6695 -5.68681 -38.2762 32.8978 -39.6695 32.8979 7.20617 GPRESSAVG: 968000 25.6887 -4.58755 -39.7838 -7.33967 -39.0211 32.3588 -38.9161 34.4084 8.56543 TIMING: 968000 CPU: 2871.36, 0.00296731/step Wall: 2871.36, 0.00296731/step, 3.32338 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: 968000 791.2028 2136.8762 1922.1001 114.8043 -206255.5995 17575.9378 0.0000 0.0000 34167.0475 -149547.6308 298.3893 -183714.6783 -149451.9783 297.9237 -291.1698 -254.7160 557558.4606 -1.6014 -1.5890 PRESSURE: 968200 243.017 62.2299 -43.1099 62.2299 -118.167 -71.5769 -43.1118 -71.5759 58.5681 GPRESSURE: 968200 238.77 64.7726 -120.741 82.1336 -64.2776 -174.416 -126.758 -52.0136 108.085 PRESSAVG: 968200 2.5407 -1.34482 -17.6485 -1.34491 47.4825 -39.896 -17.6486 -39.896 -75.9799 GPRESSAVG: 968200 1.43794 -3.2309 -19.0513 0.585886 49.3358 -40.7392 -18.1502 -39.3989 -76.4344 TIMING: 968200 CPU: 2871.95, 0.00296984/step Wall: 2871.95, 0.00296984/step, 3.32605 hours remaining, 206.968750 MB of memory in use. ENERGY: 968200 757.4146 2190.6461 1942.7574 107.3970 -206629.6350 17950.7397 0.0000 0.0000 34189.6020 -149491.0783 298.5863 -183680.6802 -149397.9601 297.5344 61.1394 94.1925 556587.8112 -8.6522 -8.5535 LDB: ============= START OF LOAD BALANCING ============== 2875.38 LDB: ============== END OF LOAD BALANCING =============== 2875.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2875.38 LDB: ============= START OF LOAD BALANCING ============== 2875.68 LDB: Largest compute 4848 load 0.029456 is 25.0% of average load 0.117849 LDB: Average compute 0.001742 is 1.5% of average load 0.117849 LDB: TIME 2875.68 LOAD: AVG 0.117849 MAX 0.197548 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 2875.68 LOAD: AVG 0.117849 MAX 0.197548 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: TIME 2875.68 LOAD: AVG 0.117849 MAX 0.197548 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.254 MB LDB: ============== END OF LOAD BALANCING =============== 2875.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2875.69 PRESSURE: 968400 -153.728 161.125 -29.2844 161.124 31.2516 -57.8215 -29.2844 -57.8215 -1.14563 GPRESSURE: 968400 -111.083 137.596 -13.0431 108.63 122.057 37.6463 -27.6178 -66.1649 -41.2373 PRESSAVG: 968400 -6.06759 36.7605 -58.0645 36.7607 -17.0547 -27.6631 -58.0644 -27.663 34.2588 GPRESSAVG: 968400 -4.65858 39.1577 -56.5396 34.9028 -18.1523 -26.2732 -59.5061 -28.7548 34.1502 TIMING: 968400 CPU: 2872.56, 0.00303167/step Wall: 2872.56, 0.00303167/step, 3.39513 hours remaining, 205.542969 MB of memory in use. ENERGY: 968400 721.4179 2111.9760 1963.0071 116.7457 -206459.3801 17898.3087 0.0000 0.0000 34096.8551 -149551.0696 297.7763 -183647.9247 -149449.5883 298.6131 -41.2072 -10.0880 557475.0810 3.7122 3.7798 PRESSURE: 968600 37.0098 164.873 -10.4889 164.873 1.76942 -124.613 -10.4888 -124.612 -45.5014 GPRESSURE: 968600 67.6179 136.412 -120.7 228.785 69.6101 -119.194 44.9274 -140.925 -37.0151 PRESSAVG: 968600 -25.163 51.1446 -30.2883 51.1446 -7.71473 -30.2936 -30.2883 -30.2937 36.3533 GPRESSAVG: 968600 -26.0559 51.2527 -30.775 51.3275 -7.47996 -30.1278 -27.5223 -30.0642 37.1521 TIMING: 968600 CPU: 2873.16, 0.00298576/step Wall: 2873.16, 0.00298576/step, 3.34355 hours remaining, 205.542969 MB of memory in use. ENERGY: 968600 745.9991 2094.8591 1937.5567 116.6431 -206169.4430 17741.7019 0.0000 0.0000 34092.7079 -149439.9752 297.7401 -183532.6831 -149343.9656 297.4608 -2.2407 33.4043 557103.8029 1.1585 1.2054 PRESSURE: 968800 75.6501 -32.8263 -145.325 -32.8247 66.7057 -91.8672 -145.326 -91.8678 152.463 GPRESSURE: 968800 71.4835 60.6032 -33.6255 -76.4545 86.3261 -136.565 -188.103 -69.7277 234.193 PRESSAVG: 968800 8.06643 24.069 -21.7989 24.0691 23.1741 -12.263 -21.7989 -12.2629 -46.4443 GPRESSAVG: 968800 8.25351 23.9798 -21.5974 24.2248 23.0448 -12.6862 -23.4654 -12.1344 -46.1995 TIMING: 968800 CPU: 2873.75, 0.00297789/step Wall: 2873.75, 0.00297789/step, 3.33458 hours remaining, 205.542969 MB of memory in use. ENERGY: 968800 772.9044 2113.2916 1930.0509 116.1640 -206575.4286 18091.6674 0.0000 0.0000 34124.1857 -149427.1645 298.0150 -183551.3502 -149334.5175 299.1117 98.2730 130.6677 556423.2231 -5.0679 -4.9670 PRESSURE: 969000 -128.446 48.1594 82.5956 48.1601 -334.225 -178.551 82.5962 -178.549 7.34274 GPRESSURE: 969000 -116.865 27.7765 72.9977 49.4575 -222.496 -201.111 -8.35934 -189.785 -18.3088 PRESSAVG: 969000 39.5826 -28.9014 24.421 -28.9015 -14.6073 7.3433 24.421 7.34334 13.2778 GPRESSAVG: 969000 39.7973 -29.4827 24.063 -30.7121 -13.919 5.66797 23.0567 11.2041 11.8227 TIMING: 969000 CPU: 2874.35, 0.00296552/step Wall: 2874.35, 0.00296552/step, 3.32055 hours remaining, 205.542969 MB of memory in use. ENERGY: 969000 818.4697 2017.2802 1935.4770 110.9499 -206333.4275 17750.5665 0.0000 0.0000 34365.4297 -149335.2546 300.1218 -183700.6843 -149237.3828 299.1347 -151.7761 -119.2232 557476.2346 12.7510 12.5670 PRESSURE: 969200 252.632 -126.046 -114.393 -126.047 235.688 -76.6231 -114.392 -76.6237 118.832 GPRESSURE: 969200 239.4 -121.44 -224.607 -31.5465 251.196 -50.0473 -95.0288 -65.4803 184.394 PRESSAVG: 969200 42.2608 20.1804 7.76201 20.1805 -45.0784 2.65338 7.76193 2.65343 32.1151 GPRESSAVG: 969200 41.1237 20.8573 6.77296 21.3523 -44.4356 3.42409 9.17868 -1.09892 32.6654 TIMING: 969200 CPU: 2874.94, 0.00296658/step Wall: 2874.94, 0.00296658/step, 3.32159 hours remaining, 205.542969 MB of memory in use. ENERGY: 969200 752.8911 2079.9396 1965.6544 113.7059 -206735.5160 18132.3625 0.0000 0.0000 34242.4733 -149448.4892 299.0480 -183690.9625 -149348.3776 299.5039 202.3838 224.9965 556102.9777 9.7658 9.7845 PRESSURE: 969400 85.927 86.2996 -4.84749 86.2996 -41.5498 -47.0578 -4.84749 -47.0591 193.37 GPRESSURE: 969400 54.7161 146.854 10.7457 92.5698 47.4885 -31.3313 42.1401 -49.5332 230.975 PRESSAVG: 969400 61.0222 25.3827 -10.478 25.3828 -6.73098 17.4304 -10.478 17.4305 -29.9423 GPRESSAVG: 969400 60.2741 25.7953 -9.71958 25.9278 -6.6965 17.4371 -8.72163 18.5074 -28.911 TIMING: 969400 CPU: 2875.54, 0.00298794/step Wall: 2875.54, 0.00298794/step, 3.34533 hours remaining, 205.542969 MB of memory in use. ENERGY: 969400 725.2748 2138.7243 1941.8565 123.4515 -206442.5531 17915.7724 0.0000 0.0000 34258.1045 -149339.3691 299.1845 -183597.4736 -149247.4629 299.0662 79.2491 111.0598 556305.9762 8.1163 8.2222 PRESSURE: 969600 -30.2004 117.028 82.3834 117.029 -19.7221 20.0768 82.383 20.079 -266.072 GPRESSURE: 969600 33.4467 135.482 82.0715 88.2774 -49.0841 78.4192 31.8047 -84.1484 -205.388 PRESSAVG: 969600 28.1331 -25.7364 -2.99418 -25.7364 -33.4924 -74.9187 -2.99421 -74.9187 -0.474104 GPRESSAVG: 969600 30.2364 -27.4049 -2.94395 -25.2385 -34.5993 -71.9188 -3.2856 -77.4762 -1.55293 TIMING: 969600 CPU: 2876.14, 0.00299329/step Wall: 2876.14, 0.00299329/step, 3.35115 hours remaining, 205.542969 MB of memory in use. ENERGY: 969600 755.3065 2092.1513 1963.2386 107.6832 -206111.9740 17642.9422 0.0000 0.0000 34259.0501 -149291.6021 299.1928 -183550.6522 -149199.9770 299.4793 -105.3315 -73.6750 558433.1640 -1.9445 -1.9719 PRESSURE: 969800 118.589 213.238 121.417 213.24 -77.5361 -53.227 121.418 -53.2289 -117.833 GPRESSURE: 969800 138.405 236.081 48.5915 156.228 -94.9957 -62.7484 212.94 -118.647 -13.1197 PRESSAVG: 969800 -24.7154 37.7031 77.5769 37.7031 -4.1288 17.2037 77.5768 17.2038 26.8001 GPRESSAVG: 969800 -24.3442 39.0845 78.3367 38.3493 -4.36397 15.6245 75.9743 19.2428 26.8243 TIMING: 969800 CPU: 2876.73, 0.00299457/step Wall: 2876.73, 0.00299457/step, 3.35242 hours remaining, 205.542969 MB of memory in use. ENERGY: 969800 716.2556 2111.5682 1945.9512 111.9421 -206231.9616 17733.9173 0.0000 0.0000 34244.8409 -149367.4863 299.0687 -183612.3272 -149270.8672 299.0007 -25.5934 10.0966 558480.7445 -0.6814 -0.6280 PRESSURE: 970000 -147.149 -143.527 34.8662 -143.527 295.392 126.099 34.8662 126.099 28.9054 GPRESSURE: 970000 -167.229 -170.519 1.90108 -140.676 310.213 99.0581 6.99326 191.347 117.895 PRESSAVG: 970000 -11.9327 21.4543 20.9341 21.4544 -1.18601 -24.3263 20.9341 -24.3262 52.7999 GPRESSAVG: 970000 -13.3337 19.3309 21.3604 21.869 0.275157 -25.9882 19.9501 -22.8939 53.1776 TIMING: 970000 CPU: 2877.33, 0.00296418/step Wall: 2877.33, 0.00296418/step, 3.31823 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: 970000 740.8443 2100.0892 1961.9856 122.6932 -206464.3767 17982.3512 0.0000 0.0000 34159.7752 -149396.6380 298.3258 -183556.4132 -149295.4997 298.6113 59.0494 86.9600 557133.2979 13.2270 13.3730 PRESSURE: 970200 -50.7269 46.6495 -71.3685 46.6484 31.5904 15.7066 -71.3683 15.7074 82.7775 GPRESSURE: 970200 -35.6468 -64.8071 -152.348 85.8262 105.252 52.2558 9.28413 43.9083 102.125 PRESSAVG: 970200 -20.4478 7.47251 -26.2691 7.47247 24.1548 8.25659 -26.269 8.25652 -0.012549 GPRESSAVG: 970200 -19.0283 7.25588 -26.4065 6.09877 24.1449 10.6644 -25.9835 4.63086 -1.05119 TIMING: 970200 CPU: 2877.92, 0.00296995/step Wall: 2877.92, 0.00296995/step, 3.32452 hours remaining, 205.542969 MB of memory in use. ENERGY: 970200 771.5264 2044.1634 1934.9868 103.3532 -206510.0518 18023.8582 0.0000 0.0000 34242.1654 -149389.9984 299.0453 -183632.1638 -149298.7083 298.6480 21.2137 57.2434 558388.3715 1.2315 1.3552 PRESSURE: 970400 315.733 -133.325 4.92705 -133.324 109.565 121.082 4.92502 121.084 1.68026 GPRESSURE: 970400 312.691 -178.215 -49.824 -153.155 144.776 69.7096 95.5434 100.902 65.9576 PRESSAVG: 970400 13.5804 -8.23264 25.2775 -8.23261 -12.6059 30.4526 25.2775 30.4525 -2.31474 GPRESSAVG: 970400 12.7201 -7.05606 25.7673 -7.16601 -13.4383 29.5166 25.2332 31.6146 -0.50311 TIMING: 970400 CPU: 2878.51, 0.00295778/step Wall: 2878.51, 0.00295778/step, 3.31074 hours remaining, 205.542969 MB of memory in use. ENERGY: 970400 728.3945 2068.5020 1961.2382 120.3796 -206449.6375 18152.2052 0.0000 0.0000 34093.7220 -149325.1959 297.7490 -183418.9180 -149230.5562 298.8696 142.3262 174.4749 558467.5880 -0.4468 -0.4071 PRESSURE: 970600 221.517 32.805 -64.6581 32.8049 -15.2329 243.341 -64.6568 243.341 -274.764 GPRESSURE: 970600 268.729 46.7684 59.381 3.00323 54.122 256.591 -156.447 164.79 -308.089 PRESSAVG: 970600 104.564 -4.78271 -24.5932 -4.78285 -67.7088 34.4023 -24.5933 34.4022 -24.2652 GPRESSAVG: 970600 104.137 -8.47463 -26.7174 -3.11415 -66.3201 33.4386 -25.2114 35.3567 -25.7595 TIMING: 970600 CPU: 2879.11, 0.00296714/step Wall: 2879.11, 0.00296714/step, 3.32105 hours remaining, 205.542969 MB of memory in use. ENERGY: 970600 702.2234 2083.8170 1949.7093 129.0715 -206022.3350 17787.9868 0.0000 0.0000 34150.5977 -149218.9293 298.2457 -183369.5269 -149125.2750 298.1815 -22.8266 4.9208 559152.0967 4.1965 4.0192 PRESSURE: 970800 252.368 -38.3122 142.915 -38.3132 182.507 69.7562 142.914 69.7562 -58.3115 GPRESSURE: 970800 269.05 14.4841 65.7563 -51.3161 235.345 136.509 195.389 37.2992 -40.1094 PRESSAVG: 970800 4.39361 -17.5806 62.9979 -17.5806 59.6131 -45.5946 62.9978 -45.5947 -91.6135 GPRESSAVG: 970800 5.72757 -14.578 64.3565 -20.221 59.1054 -44.3769 63.7687 -44.2448 -92.5307 TIMING: 970800 CPU: 2879.7, 0.00296612/step Wall: 2879.7, 0.00296612/step, 3.31975 hours remaining, 205.542969 MB of memory in use. ENERGY: 970800 777.1007 2079.0995 1931.9803 134.4813 -206805.1504 18214.6438 0.0000 0.0000 34223.5418 -149444.3030 298.8827 -183667.8449 -149351.9653 298.2345 125.5211 154.7617 557467.4492 -9.2023 -9.2326 PRESSURE: 971000 -380.012 -51.3639 9.67477 -51.3637 -28.6234 -27.2224 9.67483 -27.2224 -60.0162 GPRESSURE: 971000 -274.794 -8.73977 14.3823 -56.0827 -82.7556 38.0694 -11.4897 -27.3495 -16.0038 PRESSAVG: 971000 40.5595 -54.6437 35.9476 -54.6437 22.1555 59.9106 35.9476 59.9106 -34.4269 GPRESSAVG: 971000 39.5515 -54.2605 35.2132 -53.5122 21.8224 60.3469 36.4101 57.5495 -32.9161 TIMING: 971000 CPU: 2880.29, 0.00293751/step Wall: 2880.29, 0.00293751/step, 3.28756 hours remaining, 205.542969 MB of memory in use. ENERGY: 971000 741.8823 2015.9525 1961.4590 121.1269 -205714.8464 17344.2284 0.0000 0.0000 34036.5470 -149493.6503 297.2496 -183530.1974 -149398.1321 298.9589 -156.2172 -124.5179 557512.2223 9.4294 9.4859 PRESSURE: 971200 40.8372 71.4352 118.556 71.4349 83.2526 -143.148 118.557 -143.149 175.103 GPRESSURE: 971200 92.8529 50.6692 70.1057 13.2582 139.411 -67.4714 148.142 -164.181 167.809 PRESSAVG: 971200 28.461 -30.5596 15.7837 -30.5596 23.3389 23.4844 15.7838 23.4844 -91.0416 GPRESSAVG: 971200 28.6796 -30.6895 14.9617 -30.5496 23.0777 20.5984 15.1614 26.3127 -90.9684 TIMING: 971200 CPU: 2880.88, 0.00297462/step Wall: 2880.88, 0.00297462/step, 3.32893 hours remaining, 205.542969 MB of memory in use. ENERGY: 971200 717.7451 2059.5990 1938.4321 120.1041 -205949.5442 17875.4251 0.0000 0.0000 33888.9596 -149349.2793 295.9607 -183238.2389 -149246.3095 298.8440 99.7308 133.3576 557129.3509 -13.0806 -13.0704 PRESSURE: 971400 -92.7217 103.74 43.1769 103.74 -74.6999 57.2454 43.1766 57.2443 -271.879 GPRESSURE: 971400 -72.4286 106.778 94.9446 124.046 -25.0094 45.2094 -28.9814 -5.99073 -243.068 PRESSAVG: 971400 52.3642 -8.1422 27.1 -8.1422 -46.9261 -32.8355 27.1 -32.8355 -18.9593 GPRESSAVG: 971400 52.0165 -7.6811 29.179 -8.98823 -46.9634 -30.0244 27.4758 -34.125 -18.9367 TIMING: 971400 CPU: 2881.47, 0.0029573/step Wall: 2881.47, 0.0029573/step, 3.30938 hours remaining, 205.542969 MB of memory in use. ENERGY: 971400 716.1372 2065.2528 1949.1659 106.9661 -206189.9655 17732.3508 0.0000 0.0000 34218.6561 -149401.4366 298.8400 -183620.0927 -149306.5286 298.6552 -146.4337 -113.5020 558479.7415 -4.5071 -4.6279 PRESSURE: 971600 -60.009 -170.776 133.319 -170.777 124.708 -21.0484 133.319 -21.0487 206.162 GPRESSURE: 971600 -30.6798 -66.6674 147.025 -183.897 184.967 -114.497 118.973 -52.8765 210.029 PRESSAVG: 971600 -30.6391 58.5697 22.3503 58.5698 28.8857 -14.4138 22.3503 -14.4138 -8.60737 GPRESSAVG: 971600 -30.3486 58.0826 22.4673 59.9076 28.2177 -16.9827 21.1039 -13.7509 -8.43376 TIMING: 971600 CPU: 2882.07, 0.002964/step Wall: 2882.07, 0.002964/step, 3.31671 hours remaining, 205.542969 MB of memory in use. ENERGY: 971600 707.9691 2043.1181 1941.5813 126.7510 -206256.8857 17767.8359 0.0000 0.0000 34204.7002 -149464.9302 298.7182 -183669.6303 -149373.4292 298.9603 90.2870 121.4388 556448.0962 -3.4536 -3.5215 PRESSURE: 971800 -46.9989 155.246 72.5135 155.246 -79.2775 -20.6845 72.5139 -20.6852 -52.3096 GPRESSURE: 971800 -39.7648 103.178 6.66898 106.293 -27.8311 -88.0645 102.863 36.2299 -13.6138 PRESSAVG: 971800 -4.3596 11.6003 58.0593 11.6003 86.8916 25.1393 58.0594 25.1393 -61.4666 GPRESSAVG: 971800 -4.13037 11.6647 59.0485 10.1913 87.71 26.8122 60.5758 23.8996 -63.0817 TIMING: 971800 CPU: 2882.66, 0.00295041/step Wall: 2882.66, 0.00295041/step, 3.30135 hours remaining, 205.542969 MB of memory in use. ENERGY: 971800 748.8083 2052.5301 1939.9642 105.4058 -206204.9204 17828.1460 0.0000 0.0000 34237.8394 -149292.2266 299.0076 -183530.0660 -149191.7335 298.4713 -59.5287 -27.0699 557192.0602 7.0218 6.8326 PRESSURE: 972000 44.5116 -195.152 61.914 -195.151 281.661 -50.56 61.9137 -50.5602 172.396 GPRESSURE: 972000 52.5146 -165.615 45.932 -243.596 338.948 -43.6227 39.996 -5.4635 195.602 PRESSAVG: 972000 -34.7114 27.4541 33.4734 27.4541 86.3534 42.3791 33.4734 42.3792 -48.7124 GPRESSAVG: 972000 -35.2451 28.9956 33.4644 27.6821 85.1948 42.1469 33.6169 43.9987 -47.3175 TIMING: 972000 CPU: 2883.25, 0.00295074/step Wall: 2883.25, 0.00295074/step, 3.30155 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: 972000 696.4935 2050.8683 1951.2546 120.2521 -206586.0680 18031.5850 0.0000 0.0000 34419.7430 -149315.8714 300.5962 -183735.6144 -149221.5941 298.8385 166.1893 195.6883 557048.5944 0.9766 0.8774 PRESSURE: 972200 48.9266 -101.006 -13.7863 -101.005 -76.7388 36.802 -13.7859 36.8017 -159.745 GPRESSURE: 972200 124.708 -108.353 -3.43705 -45.7491 -100.858 139.063 -6.35819 26.2678 -107.858 PRESSAVG: 972200 22.7401 -14.293 32.1105 -14.293 31.7915 40.943 32.1105 40.943 -14.5581 GPRESSAVG: 972200 22.9378 -14.8208 31.4539 -14.1814 32.6451 41.4684 29.6153 39.2848 -15.2666 TIMING: 972200 CPU: 2883.84, 0.00296022/step Wall: 2883.84, 0.00296022/step, 3.31199 hours remaining, 205.542969 MB of memory in use. ENERGY: 972200 713.2393 2107.5549 1929.4641 115.6205 -206266.1570 17943.0703 0.0000 0.0000 34012.1224 -149445.0855 297.0363 -183457.2078 -149353.7672 298.7459 -62.5189 -28.0024 558862.1164 13.3245 13.4388 LDB: ============= START OF LOAD BALANCING ============== 2887.27 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2887.27 LDB: =============== DONE WITH MIGRATION ================ 2887.27 LDB: ============= START OF LOAD BALANCING ============== 2887.56 LDB: Largest compute 4848 load 0.029218 is 24.8% of average load 0.117889 LDB: Average compute 0.001748 is 1.5% of average load 0.117889 LDB: TIME 2887.57 LOAD: AVG 0.117889 MAX 0.197243 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.086 MB LDB: TIME 2887.57 LOAD: AVG 0.117889 MAX 0.197243 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.086 MB LDB: TIME 2887.57 LOAD: AVG 0.117889 MAX 0.197243 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.086 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2887.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2887.57 PRESSURE: 972400 -232.54 31.8779 -93.3463 31.8782 -0.461068 3.5669 -93.3467 3.56667 -4.43624 GPRESSURE: 972400 -210.348 84.7823 9.02306 3.30864 46.9929 47.8638 -121.277 -41.6383 29.3279 PRESSAVG: 972400 -54.9922 44.1297 -29.0141 44.1297 20.3034 -24.6621 -29.014 -24.6621 64.6222 GPRESSAVG: 972400 -55.8229 44.2537 -29.1224 43.6393 21.2211 -26.1843 -27.5867 -22.6545 65.0033 TIMING: 972400 CPU: 2884.44, 0.00302465/step Wall: 2884.44, 0.00302464/step, 3.38391 hours remaining, 206.449219 MB of memory in use. ENERGY: 972400 732.0597 2107.2350 1946.2157 113.3791 -205955.9656 17778.2689 0.0000 0.0000 34006.2686 -149272.5386 296.9852 -183278.8072 -149171.1486 299.1320 -79.1457 -44.6756 558034.5387 9.9778 10.1339 PRESSURE: 972600 -394.79 140.059 -146.354 140.061 -139.467 -110.999 -146.355 -111 -130.467 GPRESSURE: 972600 -284.954 125.909 -179.715 136.279 -158.963 -130.905 -94.9217 -144.354 -119.875 PRESSAVG: 972600 12.6266 -0.242724 19.8498 -0.242769 21.4014 8.29766 19.8498 8.29774 2.07278 GPRESSAVG: 972600 15.8824 -0.751441 19.0145 0.946612 18.9935 10.0889 21.8115 6.76435 2.20835 TIMING: 972600 CPU: 2885.04, 0.00296257/step Wall: 2885.04, 0.00296257/step, 3.31429 hours remaining, 206.449219 MB of memory in use. ENERGY: 972600 737.7651 2086.1098 1943.9140 111.4768 -205597.3651 17470.5696 0.0000 0.0000 34256.9686 -148990.5611 299.1746 -183247.5298 -148891.8573 298.9570 -221.5746 -187.9305 559284.0538 12.0336 12.3614 PRESSURE: 972800 -60.1012 -129.015 14.8751 -129.014 -114.032 105.084 14.8761 105.084 -44.8774 GPRESSURE: 972800 -23.0195 -131.694 -78.0243 -123.563 -78.714 45.8888 -19.5604 99.6052 -12.9866 PRESSAVG: 972800 15.9856 -4.12449 -29.3399 -4.1245 -8.76577 22.3119 -29.3399 22.312 -22.2857 GPRESSAVG: 972800 14.9166 -4.07095 -28.4263 -4.32188 -5.65485 21.7261 -31.9785 23.2583 -23.7078 TIMING: 972800 CPU: 2885.63, 0.00296149/step Wall: 2885.63, 0.00296149/step, 3.31292 hours remaining, 206.449219 MB of memory in use. ENERGY: 972800 745.8326 2055.1409 1952.7144 111.0532 -205923.6794 17568.1941 0.0000 0.0000 34243.6147 -149247.1295 299.0580 -183490.7442 -149150.6074 299.8882 -73.0035 -38.2400 557803.7573 -5.0220 -4.8153 PRESSURE: 973000 305.702 -3.54173 22.062 -3.5417 -119.473 93.4819 22.0618 93.4797 259.725 GPRESSURE: 973000 360.393 11.8785 48.9365 57.1346 -109.246 130.506 57.6939 9.0475 297.106 PRESSAVG: 973000 -27.733 40.2986 44.7092 40.2986 -34.9053 6.81098 44.7091 6.81096 67.5637 GPRESSAVG: 973000 -28.1506 39.3941 43.9619 39.5892 -36.1247 5.77074 45.0305 7.20618 68.7516 TIMING: 973000 CPU: 2886.22, 0.00297095/step Wall: 2886.22, 0.00297095/step, 3.32333 hours remaining, 206.449219 MB of memory in use. ENERGY: 973000 734.2614 2106.1220 1938.6049 119.7581 -206392.5945 18114.9341 0.0000 0.0000 34281.2404 -149097.6737 299.3866 -183378.9141 -148997.1346 299.0152 148.6513 182.7508 557143.5916 1.6418 1.4921 PRESSURE: 973200 4.71614 12.2332 164.302 12.2325 -83.7754 -64.9976 164.301 -64.9986 84.7251 GPRESSURE: 973200 -18.0593 16.903 89.3348 42.8218 17.4905 -13.139 148.231 -3.90993 107.113 PRESSAVG: 973200 20.0198 -8.16891 24.3213 -8.16887 -3.85634 4.03109 24.3213 4.03103 -5.98537 GPRESSAVG: 973200 21.3465 -8.6025 23.855 -7.24786 -4.48333 4.25787 23.8706 3.89349 -6.14316 TIMING: 973200 CPU: 2886.82, 0.00298106/step Wall: 2886.82, 0.00298106/step, 3.33448 hours remaining, 206.449219 MB of memory in use. ENERGY: 973200 729.6730 2088.0203 1948.7207 117.7894 -206151.1946 17967.8073 0.0000 0.0000 34154.9110 -149144.2729 298.2833 -183299.1839 -149046.2411 299.7573 1.8886 35.5148 557858.6862 3.3927 3.5733 PRESSURE: 973400 -38.1166 12.4122 77.9483 12.4129 136.176 -218.024 77.9468 -218.024 -113.805 GPRESSURE: 973400 -10.8305 22.9208 134.55 -60.2396 153.066 -241.062 44.4665 -209.301 -51.3424 PRESSAVG: 973400 -22.7172 18.9303 20.7801 18.9303 -27.5777 4.13663 20.7802 4.13654 13.4203 GPRESSAVG: 973400 -23.2415 19.6153 21.9406 19.6009 -28.1984 4.6743 20.3835 2.28591 15.3096 TIMING: 973400 CPU: 2887.41, 0.00296833/step Wall: 2887.41, 0.00296833/step, 3.32008 hours remaining, 206.449219 MB of memory in use. ENERGY: 973400 742.6918 2106.6397 1966.2579 132.1225 -206141.3005 17884.1978 0.0000 0.0000 34215.8430 -149093.5479 298.8155 -183309.3908 -148993.4020 299.1330 -5.2484 30.2978 556500.5936 -12.2915 -12.0434 PRESSURE: 973600 14.7881 -24.9047 12.515 -24.9045 13.0163 37.6798 12.5155 37.681 -147.659 GPRESSURE: 973600 63.9696 62.2512 20.6667 -87.3924 5.71821 56.3742 -59.2569 86.4013 -87.2881 PRESSAVG: 973600 -64.9125 44.3148 38.643 44.3148 25.534 42.6738 38.643 42.6738 3.09937 GPRESSAVG: 973600 -64.1496 45.8919 37.3631 43.7719 26.1457 41.6722 40.2592 45.0497 1.57508 TIMING: 973600 CPU: 2888, 0.00295113/step Wall: 2888, 0.00295113/step, 3.30068 hours remaining, 206.449219 MB of memory in use. ENERGY: 973600 757.5402 2102.1413 1960.4921 113.2164 -206181.5061 17776.5811 0.0000 0.0000 34187.0145 -149284.5205 298.5637 -183471.5350 -149186.8758 299.1986 -39.9514 -5.8668 555210.0626 -12.0930 -12.1429 PRESSURE: 973800 -32.7109 136.975 52.7483 136.974 -104.518 143.548 52.7472 143.547 203.091 GPRESSURE: 973800 4.66603 133.473 67.2311 177.078 -32.3705 143.192 85.3565 171.821 203.213 PRESSAVG: 973800 -0.387998 -0.188467 62.718 -0.188457 44.4062 45.1155 62.7179 45.1155 13.8599 GPRESSAVG: 973800 -1.14641 -0.682568 64.9203 0.659996 43.682 46.2351 62.4441 42.9582 15.1145 TIMING: 973800 CPU: 2888.59, 0.00294597/step Wall: 2888.59, 0.00294597/step, 3.29474 hours remaining, 206.449219 MB of memory in use. ENERGY: 973800 761.4754 2110.9948 1933.4304 105.9795 -206604.4838 18019.6187 0.0000 0.0000 34324.5970 -149348.3879 299.7652 -183672.9849 -149251.5012 298.4713 21.9542 58.5028 556502.6894 19.2927 19.2167 PRESSURE: 974000 135.319 31.9291 107.645 31.9292 -42.0114 -186.001 107.646 -186.002 3.89446 GPRESSURE: 974000 128.305 -40.2431 136.666 138.372 3.89966 -155.724 153.547 -89.176 66.233 PRESSAVG: 974000 54.9286 22.1043 -13.9691 22.1042 38.6717 11.9458 -13.9691 11.9457 -38.4969 GPRESSAVG: 974000 55.6234 20.5225 -15.0387 21.4704 38.9201 12.3837 -13.8572 12.6457 -39.1351 TIMING: 974000 CPU: 2889.18, 0.00296384/step Wall: 2889.18, 0.00296384/step, 3.31456 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: 974000 785.6704 2090.1319 1938.1614 124.5476 -206819.3490 18190.2498 0.0000 0.0000 34129.9425 -149560.6455 298.0653 -183690.5879 -149464.9722 298.6332 32.4006 66.1458 557901.7258 18.3678 18.4695 PRESSURE: 974200 -335.805 27.9268 4.14602 27.9268 9.22474 52.4414 4.14674 52.441 -157.697 GPRESSURE: 974200 -320.566 5.04782 29.2152 20.5742 -8.66796 3.63462 -33.8303 129.367 -62.7752 PRESSAVG: 974200 -14.9086 -47.9786 -34.1997 -47.9785 51.0474 -13.7163 -34.1998 -13.7164 9.48621 GPRESSAVG: 974200 -15.0615 -47.2667 -34.0965 -48.3911 49.7053 -14.0341 -34.5083 -13.9965 10.4647 TIMING: 974200 CPU: 2889.78, 0.00297852/step Wall: 2889.78, 0.00297852/step, 3.33081 hours remaining, 206.449219 MB of memory in use. ENERGY: 974200 752.9029 2075.9484 1960.4032 115.5166 -206201.3245 17698.6450 0.0000 0.0000 33997.1775 -149600.7309 296.9058 -183597.9085 -149505.6197 298.2160 -161.4257 -130.6699 557707.9571 15.2083 15.0362 PRESSURE: 974400 -62.3758 13.0153 -22.7522 13.0145 -158.226 17.4833 -22.7502 17.4839 -76.6395 GPRESSURE: 974400 -11.7166 106.274 -40.2417 17.2575 -163.334 52.6161 -61.1217 -26.5224 -18.0253 PRESSAVG: 974400 -2.46817 -24.881 -33.6864 -24.8811 -15.0342 15.7922 -33.6864 15.7921 18.9867 GPRESSAVG: 974400 -1.98889 -24.0837 -35.2269 -23.6193 -14.5573 13.0184 -34.6453 17.2051 17.6726 TIMING: 974400 CPU: 2890.37, 0.00295563/step Wall: 2890.37, 0.00295563/step, 3.30505 hours remaining, 206.449219 MB of memory in use. ENERGY: 974400 752.0778 2092.1483 1914.5451 109.5832 -206570.5686 17845.0075 0.0000 0.0000 34178.9253 -149678.2815 298.4931 -183857.2068 -149579.2088 298.0612 -99.0803 -64.3585 557817.1201 0.4948 0.3755 PRESSURE: 974600 15.9033 -144.609 107.127 -144.608 353.645 19.2629 107.127 19.2634 -90.7222 GPRESSURE: 974600 -2.11293 -127.58 85.6739 -112.574 415.95 -11.9151 152.738 38.8496 -49.9755 PRESSAVG: 974600 -16.0841 -53.6732 18.4377 -53.6732 -34.7911 -53.6272 18.4377 -53.6273 24.1371 GPRESSAVG: 974600 -18.1001 -53.906 18.7976 -55.3248 -33.3154 -53.3646 20.2608 -53.5515 24.7688 TIMING: 974600 CPU: 2890.96, 0.00294789/step Wall: 2890.96, 0.00294789/step, 3.29623 hours remaining, 206.449219 MB of memory in use. ENERGY: 974600 795.2927 2129.9940 1952.4442 115.4447 -207071.9010 18143.4084 0.0000 0.0000 34312.0099 -149623.3071 299.6553 -183935.3171 -149525.0607 298.4276 92.9420 121.2871 555671.0531 -8.9127 -8.8822 PRESSURE: 974800 62.3914 -80.6641 191.329 -80.6629 66.3754 38.5622 191.327 38.5625 260.692 GPRESSURE: 974800 92.6446 -198.11 178.492 -7.8262 41.1032 76.452 207.112 22.5931 373.666 PRESSAVG: 974800 -24.2091 -31.2135 29.0505 -31.2134 23.3717 56.9558 29.0506 56.9559 3.29117 GPRESSAVG: 974800 -23.4551 -32.1491 28.8387 -30.582 22.4208 59.9014 28.5134 55.5579 2.84133 TIMING: 974800 CPU: 2891.55, 0.00294728/step Wall: 2891.55, 0.00294728/step, 3.29539 hours remaining, 206.449219 MB of memory in use. ENERGY: 974800 744.8248 2068.8386 1929.8537 121.2116 -206671.3876 18179.2546 0.0000 0.0000 34108.8036 -149518.6006 297.8807 -183627.4043 -149427.0017 297.4711 129.8197 169.1380 557168.6220 0.8179 0.6024 PRESSURE: 975000 16.8948 -88.0645 -99.8398 -88.0647 -140.962 52.4068 -99.8405 52.4081 -25.811 GPRESSURE: 975000 123.875 -60.002 -54.0409 -55.5396 -226.206 17.1821 -143.447 93.9183 32.9694 PRESSAVG: 975000 51.2518 -35.8209 -21.7062 -35.8211 -60.6209 40.5285 -21.7063 40.5283 20.2603 GPRESSAVG: 975000 52.2761 -35.4412 -17.8096 -35.7394 -61.4613 41.0865 -24.4655 39.9701 20.3679 TIMING: 975000 CPU: 2892.14, 0.00295307/step Wall: 2892.14, 0.00295307/step, 3.3017 hours remaining, 206.449219 MB of memory in use. ENERGY: 975000 723.6933 2116.0460 1923.0572 111.4452 -206424.6157 17846.1670 0.0000 0.0000 34274.0939 -149430.1132 299.3242 -183704.2072 -149333.6713 298.0038 -49.9594 -23.1205 558710.9912 3.6304 3.7276 PRESSURE: 975200 -137.223 -203.447 -100.768 -203.448 14.9625 -114.083 -100.767 -114.082 18.7036 GPRESSURE: 975200 -59.4223 -307.471 -134.824 -102.617 16.0838 -85.499 -64.9497 -136.548 30.4773 PRESSAVG: 975200 21.3206 -29.7727 14.7432 -29.7727 10.6412 32.8275 14.7432 32.8277 -30.7503 GPRESSAVG: 975200 21.8885 -28.2753 11.058 -30.2482 10.2816 32.38 18.921 32.8493 -30.9675 TIMING: 975200 CPU: 2892.73, 0.00296825/step Wall: 2892.73, 0.00296825/step, 3.31851 hours remaining, 206.449219 MB of memory in use. ENERGY: 975200 738.6646 2083.8032 1940.9980 116.9662 -206761.3999 17789.2659 0.0000 0.0000 34522.7397 -149568.9624 301.4957 -184091.7021 -149473.0073 298.2379 -34.5190 -4.2871 556648.9568 0.4038 0.4009 PRESSURE: 975400 -121.929 -158.643 17.7166 -158.642 -60.7432 -195.648 17.7173 -195.648 62.6521 GPRESSURE: 975400 -62.2178 -124.106 53.5178 -230.408 -10.516 -112.488 16.253 -187.537 48.7837 PRESSAVG: 975400 -22.9464 -15.4501 3.99979 -15.4501 17.6615 -24.6373 3.99978 -24.6372 -11.7081 GPRESSAVG: 975400 -24.5993 -15.621 5.82822 -16.7838 18.6418 -25.511 2.67942 -23.8402 -10.1773 TIMING: 975400 CPU: 2893.33, 0.00297089/step Wall: 2893.33, 0.00297089/step, 3.32129 hours remaining, 206.449219 MB of memory in use. ENERGY: 975400 745.8949 2028.0398 1948.8444 115.2032 -206277.4636 17846.8612 0.0000 0.0000 34166.5291 -149426.0912 298.3848 -183592.6203 -149324.9664 298.0762 -40.0066 -7.9834 558891.6397 -5.6643 -5.3782 PRESSURE: 975600 -292.715 67.5862 28.3524 67.5876 12.7805 -90.7151 28.3541 -90.7137 -152.796 GPRESSURE: 975600 -220.522 29.0756 14.8895 41.0922 78.4783 -99.6711 42.582 -42.6599 -184.374 PRESSAVG: 975600 11.8208 -62.4798 35.232 -62.4798 -9.33662 -9.46739 35.232 -9.46737 -14.3445 GPRESSAVG: 975600 12.7316 -62.3162 34.4694 -61.576 -9.00051 -8.59036 35.2127 -11.2329 -15.8625 TIMING: 975600 CPU: 2893.92, 0.00295849/step Wall: 2893.92, 0.00295849/step, 3.30726 hours remaining, 206.449219 MB of memory in use. ENERGY: 975600 723.5085 2117.1087 1976.6421 107.2878 -206076.8204 17668.9248 0.0000 0.0000 33977.2338 -149506.1147 296.7316 -183483.3485 -149407.9176 298.4038 -144.2437 -108.8060 557736.2960 -3.9535 -4.0438 PRESSURE: 975800 172.898 -156.518 -18.9079 -156.517 30.9908 -139.953 -18.908 -139.952 -81.4152 GPRESSURE: 975800 256.308 -178.146 100.394 -201.504 12.464 -141.246 -48.7232 -121.451 -41.4292 PRESSAVG: 975800 21.4623 -3.74186 3.93043 -3.74188 -21.4825 -15.6679 3.93042 -15.6678 -33.1843 GPRESSAVG: 975800 22.7249 -2.92755 1.90336 -4.327 -22.7524 -17.9928 3.60836 -13.8901 -33.01 TIMING: 975800 CPU: 2894.51, 0.00296634/step Wall: 2894.51, 0.00296634/step, 3.31588 hours remaining, 206.449219 MB of memory in use. ENERGY: 975800 701.4873 2118.7706 1940.8363 121.6415 -206355.1807 17828.3604 0.0000 0.0000 34105.3218 -149538.7628 297.8503 -183644.0845 -149440.4525 298.7127 40.8246 75.7811 556635.1274 -11.0681 -11.0125 PRESSURE: 976000 9.98821 76.5672 91.4918 76.567 266.818 -149.473 91.4918 -149.474 -94.3512 GPRESSURE: 976000 42.4281 3.91395 86.493 130.541 267.443 -151.289 99.2194 -134.466 -37.5391 PRESSAVG: 976000 32.8453 -10.1095 56.2351 -10.1096 -29.8608 14.8908 56.235 14.8907 -16.1823 GPRESSAVG: 976000 32.0195 -13.1468 56.2378 -8.82718 -28.929 14.6503 57.4241 14.9999 -16.1204 TIMING: 976000 CPU: 2895.11, 0.00297795/step Wall: 2895.11, 0.00297795/step, 3.32869 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: 976000 758.3448 2126.9542 1929.4836 109.0897 -206579.9709 18064.2541 0.0000 0.0000 34138.9203 -149452.9242 298.1437 -183591.8445 -149349.1648 298.7912 60.8182 90.7774 556736.9953 -4.3993 -4.3433 PRESSURE: 976200 -55.2996 96.9202 23.4912 96.92 -85.0641 -108.001 23.4904 -108.001 -131.435 GPRESSURE: 976200 -31.4547 207.648 -12.3502 91.8327 7.75221 -90.2613 -60.0232 -117.388 -142.237 PRESSAVG: 976200 -41.8217 14.5056 -0.644182 14.5056 26.4519 -28.7936 -0.644224 -28.7935 28.8699 GPRESSAVG: 976200 -41.8895 16.1102 -0.812622 16.5248 26.2483 -28.7744 -2.55833 -29.7434 28.9797 TIMING: 976200 CPU: 2895.71, 0.00298993/step Wall: 2895.71, 0.00298993/step, 3.34191 hours remaining, 206.449219 MB of memory in use. ENERGY: 976200 764.7881 2123.1562 1936.4559 118.9701 -206114.0562 17671.1547 0.0000 0.0000 34220.5097 -149279.0215 298.8562 -183499.5312 -149181.2403 299.6381 -90.5996 -55.3131 556876.8816 4.5000 4.4462 LDB: ============= START OF LOAD BALANCING ============== 2899.14 LDB: ============== END OF LOAD BALANCING =============== 2899.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2899.14 LDB: ============= START OF LOAD BALANCING ============== 2899.44 LDB: Largest compute 4820 load 0.031448 is 26.7% of average load 0.117942 LDB: Average compute 0.001743 is 1.5% of average load 0.117942 LDB: TIME 2899.44 LOAD: AVG 0.117942 MAX 0.196312 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 2899.44 LOAD: AVG 0.117942 MAX 0.196312 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.918 MB LDB: TIME 2899.44 LOAD: AVG 0.117942 MAX 0.196312 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 204.918 MB LDB: ============== END OF LOAD BALANCING =============== 2899.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2899.44 PRESSURE: 976400 258.493 118.726 25.1175 118.727 369.487 50.6264 25.1172 50.6268 83.0079 GPRESSURE: 976400 293.158 55.6168 -10.6977 120.704 401.908 24.4301 111.802 92.1203 116.874 PRESSAVG: 976400 -34.8256 -2.73525 -0.23662 -2.73539 -44.4792 -31.5623 -0.236599 -31.5623 54.8093 GPRESSAVG: 976400 -35.202 -2.49972 -0.157858 -4.21479 -44.4857 -30.5266 0.711172 -33.2047 55.02 TIMING: 976400 CPU: 2896.32, 0.00304098/step Wall: 2896.32, 0.00304098/step, 3.3988 hours remaining, 206.707031 MB of memory in use. ENERGY: 976400 698.7293 2078.5783 1936.8074 119.1932 -206172.6786 18086.5029 0.0000 0.0000 34228.1043 -149024.7631 298.9225 -183252.8674 -148929.4110 299.7276 236.9960 270.6468 557979.0526 -8.1652 -8.2226 PRESSURE: 976600 -193.738 32.1398 -202.253 32.1408 -203.38 -251.912 -202.253 -251.912 -400.729 GPRESSURE: 976600 -229.05 101.47 -121.672 -54.5809 -107.121 -238.373 -254.594 -226.194 -374.768 PRESSAVG: 976600 17.7556 24.7647 8.23556 24.7647 16.4086 -21.0281 8.23563 -21.028 -20.1668 GPRESSAVG: 976600 17.3364 24.4428 7.81482 22.2873 16.4311 -21.8381 6.42808 -18.6328 -19.4919 TIMING: 976600 CPU: 2896.91, 0.00296291/step Wall: 2896.91, 0.00296291/step, 3.31139 hours remaining, 206.707031 MB of memory in use. ENERGY: 976600 738.5334 2064.0579 1946.2860 111.3683 -205627.0423 17295.7295 0.0000 0.0000 34282.6516 -149188.4155 299.3989 -183471.0672 -149086.0113 299.2029 -265.9493 -236.9798 558683.8710 4.6658 4.7585 PRESSURE: 976800 122.42 -63.851 11.898 -63.8508 -100.654 -78.9559 11.8981 -78.9539 200.114 GPRESSURE: 976800 166.376 -11.2742 154.084 -56.7899 -7.61584 -40.4586 -100.172 -119.541 173.807 PRESSAVG: 976800 -56.8163 -15.6899 -8.82501 -15.6898 57.4521 -44.8946 -8.82502 -44.8945 16.2483 GPRESSAVG: 976800 -56.4234 -15.2508 -6.46161 -14.6503 57.3451 -44.9189 -7.87111 -42.785 15.9172 TIMING: 976800 CPU: 2897.5, 0.00297335/step Wall: 2897.5, 0.00297335/step, 3.32289 hours remaining, 206.707031 MB of memory in use. ENERGY: 976800 782.6222 2024.8298 1952.4803 108.8955 -206412.1556 17961.6779 0.0000 0.0000 34416.3331 -149165.3167 300.5664 -183581.6498 -149070.3976 299.5172 73.9598 110.8560 555788.8254 5.6280 5.6130 PRESSURE: 977000 208.69 4.96604 -131.066 4.96587 -33.8245 -135.196 -131.067 -135.195 -25.7654 GPRESSURE: 977000 271.748 102.649 -44.4134 -134.227 -43.9634 -153.223 -98.7634 -156.624 22.2655 PRESSAVG: 977000 80.2908 -1.22856 -56.4268 -1.22861 -10.8355 -55.7123 -56.4269 -55.7123 -45.8004 GPRESSAVG: 977000 81.1855 -2.02785 -57.4189 -1.90656 -11.9295 -54.224 -55.181 -57.1158 -45.9081 TIMING: 977000 CPU: 2898.09, 0.00295697/step Wall: 2898.09, 0.00295697/step, 3.30442 hours remaining, 206.707031 MB of memory in use. ENERGY: 977000 714.5954 2172.0970 1967.2247 122.3520 -205966.9530 17715.1517 0.0000 0.0000 34259.0775 -149016.4547 299.1930 -183275.5323 -148922.2602 300.2125 49.6999 83.3502 557488.8244 7.8850 7.7826 PRESSURE: 977200 175.566 -101.055 -124.646 -101.055 -117.567 70.234 -124.645 70.2341 94.2564 GPRESSURE: 977200 224.301 -105.067 -88.6921 -179.307 -84.6238 45.5311 -126.066 45.3063 94.089 PRESSAVG: 977200 -14.0315 6.60283 4.22621 6.60275 -40.6997 -26.7463 4.22629 -26.7463 53.0574 GPRESSAVG: 977200 -13.9835 7.41774 4.66717 8.02217 -40.6259 -25.982 2.63852 -27.2953 53.1574 TIMING: 977200 CPU: 2898.69, 0.00296127/step Wall: 2898.69, 0.00296127/step, 3.30906 hours remaining, 206.707031 MB of memory in use. ENERGY: 977200 702.6929 2107.2402 1971.2506 114.4100 -206165.4613 17771.5463 0.0000 0.0000 34433.4367 -149064.8846 300.7158 -183498.3213 -148970.1618 300.1072 50.7517 77.9221 556468.7307 -0.5579 -0.4840 PRESSURE: 977400 -79.7137 -54.7946 -7.75201 -54.7958 -119.851 -132.352 -7.75158 -132.351 -171.551 GPRESSURE: 977400 -34.5426 -60.6254 -58.5953 23.3207 -98.9751 -109.731 -54.1229 -84.9301 -153.619 PRESSAVG: 977400 67.7347 -30.8661 -20.7925 -30.8661 -22.5924 -16.3562 -20.7925 -16.3562 -34.44 GPRESSAVG: 977400 66.5415 -30.6743 -22.1893 -30.188 -21.0393 -17.5925 -20.9154 -16.0051 -34.4294 TIMING: 977400 CPU: 2899.28, 0.0029698/step Wall: 2899.28, 0.0029698/step, 3.31842 hours remaining, 206.707031 MB of memory in use. ENERGY: 977400 716.4886 2112.2951 1960.5267 108.3683 -205670.9539 17408.1412 0.0000 0.0000 34296.1056 -149069.0285 299.5164 -183365.1341 -148967.8698 299.6913 -123.7053 -95.7124 557362.9795 3.5674 3.6909 PRESSURE: 977600 -124.033 -10.5894 67.8926 -10.5896 -505.686 14.6081 67.8932 14.6085 -308.533 GPRESSURE: 977600 -137.696 -7.83117 88.404 30.0547 -430.072 5.59424 121.89 -2.35766 -271.912 PRESSAVG: 977600 109.032 -41.0845 -8.16666 -41.0845 -50.7673 9.85216 -8.16664 9.85223 -68.3767 GPRESSAVG: 977600 108.708 -41.3058 -5.9688 -41.9908 -51.4654 9.19987 -6.78347 10.8952 -66.6675 TIMING: 977600 CPU: 2899.87, 0.00296078/step Wall: 2899.87, 0.00296078/step, 3.30818 hours remaining, 206.707031 MB of memory in use. ENERGY: 977600 741.4825 2107.7862 1958.8186 105.7364 -205661.2219 17371.0885 0.0000 0.0000 34382.6330 -148993.6766 300.2721 -183376.3097 -148886.7134 300.0359 -312.7509 -279.8934 558279.0772 -3.3707 -3.1417 PRESSURE: 977800 -48.1274 -75.1964 23.0868 -75.1971 -113.552 -151.647 23.0878 -151.647 -33.5068 GPRESSURE: 977800 -17.7162 -40.6026 -19.7368 -33.9687 -42.6057 -175.792 41.2875 -70.2661 -24.7367 PRESSAVG: 977800 25.2748 13.2089 -18.6966 13.209 26.6509 -52.6123 -18.6965 -52.6124 -10.4727 GPRESSAVG: 977800 26.0645 12.7131 -21.2839 14.588 25.7425 -53.5255 -19.9311 -54.1483 -10.006 TIMING: 977800 CPU: 2900.47, 0.00296803/step Wall: 2900.47, 0.00296803/step, 3.31611 hours remaining, 206.707031 MB of memory in use. ENERGY: 977800 746.5016 2186.0377 1945.9786 120.6790 -205979.8986 17488.5715 0.0000 0.0000 34574.3304 -148917.7999 301.9462 -183492.1302 -148820.2559 300.2091 -65.0623 -28.3528 556577.8254 13.8177 13.9336 PRESSURE: 978000 -61.7914 -184.14 103.077 -184.14 110.613 132.779 103.078 132.779 -13.6686 GPRESSURE: 978000 -16.466 -248.482 165.254 -53.3894 109.41 75.1187 107.78 98.8389 42.8376 PRESSAVG: 978000 -55.8887 -57.2121 5.31283 -57.2121 33.0052 32.0955 5.31282 32.0956 -7.50008 GPRESSAVG: 978000 -56.0538 -60.0151 5.75412 -57.1199 33.8209 33.6766 6.82756 32.6531 -8.30286 TIMING: 978000 CPU: 2901.06, 0.00295201/step Wall: 2901.06, 0.00295201/step, 3.29805 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: 978000 745.1561 2078.9789 1908.9885 112.5298 -205827.5356 17879.3736 0.0000 0.0000 33932.8722 -149169.6365 296.3442 -183102.5087 -149074.8495 300.0523 11.7176 45.2605 557456.7453 -10.1279 -10.1786 PRESSURE: 978200 -86.162 -15.3983 140.598 -15.3975 -15.61 93.2427 140.597 93.2434 65.4261 GPRESSURE: 978200 -48.3587 -68.3385 175.471 -20.3006 38.0936 99.8887 188.027 127.084 71.9777 PRESSAVG: 978200 -15.3886 -38.0504 87.8539 -38.0504 26.4817 -12.9831 87.854 -12.9831 14.4856 GPRESSAVG: 978200 -15.6776 -35.0393 89.3205 -39.2309 27.5235 -11.9715 87.4762 -15.2621 13.9774 TIMING: 978200 CPU: 2901.65, 0.00295695/step Wall: 2901.65, 0.00295695/step, 3.30341 hours remaining, 206.707031 MB of memory in use. ENERGY: 978200 742.3860 2042.0349 1947.8483 106.6955 -206124.3782 17842.4210 0.0000 0.0000 34360.8911 -149082.1014 300.0822 -183442.9925 -148987.0810 299.7909 -12.1153 20.5709 556951.9397 8.5262 8.6078 PRESSURE: 978400 -73.4998 -0.14742 -282.703 -0.147261 -24.1133 137.831 -282.703 137.832 102.577 GPRESSURE: 978400 -1.75493 -17.483 -220.47 -16.6514 22.772 102.036 -304.21 151.945 67.1923 PRESSAVG: 978400 28.97 -2.33261 -13.6414 -2.33253 21.1793 32.699 -13.6412 32.699 -36.4709 GPRESSAVG: 978400 29.7369 -2.52353 -14.2827 -3.64095 20.4562 29.5793 -13.5701 36.2795 -37.0284 TIMING: 978400 CPU: 2902.24, 0.00296875/step Wall: 2902.24, 0.00296875/step, 3.31642 hours remaining, 206.707031 MB of memory in use. ENERGY: 978400 782.3552 2129.6468 1942.1864 118.4357 -206124.7332 17884.3116 0.0000 0.0000 34179.2238 -149088.5736 298.4957 -183267.7974 -148994.4930 299.5721 1.6548 29.4031 557372.1385 4.5595 4.3883 PRESSURE: 978600 -156.937 21.5987 -15.6142 21.5994 -284.418 57.9118 -15.6145 57.9107 -50.9007 GPRESSURE: 978600 -109.164 -21.6942 -28.7029 72.1728 -255.068 81.7076 99.8715 -12.2278 -40.6814 PRESSAVG: 978600 35.6496 -4.28443 35.3019 -4.2844 18.7731 8.35205 35.3019 8.35216 13.0354 GPRESSAVG: 978600 34.2509 -4.86029 35.2847 -1.08375 19.0217 10.2887 35.4391 6.17806 13.292 TIMING: 978600 CPU: 2902.84, 0.00299192/step Wall: 2902.84, 0.00299192/step, 3.34214 hours remaining, 206.707031 MB of memory in use. ENERGY: 978600 721.3405 2093.7144 1958.9643 119.9672 -205801.9976 17353.3851 0.0000 0.0000 34443.5294 -149111.0968 300.8039 -183554.6262 -149005.3300 300.0051 -164.0854 -134.9710 558128.9721 22.4861 22.1882 PRESSURE: 978800 -13.7733 25.4726 200.525 25.4727 -119.73 171.903 200.527 171.903 -157.572 GPRESSURE: 978800 28.2188 93.5582 245.507 -24.0199 -78.3427 157.123 189.282 201.408 -151.975 PRESSAVG: 978800 -63.8545 36.7396 46.8151 36.7396 37.462 -43.1324 46.8151 -43.1324 -0.254934 GPRESSAVG: 978800 -63.5761 37.5927 46.3923 34.4027 37.6032 -44.8201 45.6592 -44.1223 -0.772303 TIMING: 978800 CPU: 2903.43, 0.0029611/step Wall: 2903.43, 0.0029611/step, 3.30755 hours remaining, 206.707031 MB of memory in use. ENERGY: 978800 773.0057 2051.2095 1950.1307 111.3817 -206089.3306 17758.1699 0.0000 0.0000 34249.6993 -149195.7337 299.1111 -183445.4330 -149094.4265 299.2539 -97.0251 -67.3664 557788.5498 -8.8825 -8.9151 PRESSURE: 979000 -134.594 11.7207 -22.4748 11.7217 -83.3154 12.8508 -22.4744 12.8526 -261.068 GPRESSURE: 979000 -62.2632 143.286 -76.8543 8.90124 -82.1292 41.2192 -23.8229 -13.5847 -238.148 PRESSAVG: 979000 -20.5447 17.0426 33.656 17.0425 -36.6038 8.75907 33.656 8.75915 42.4859 GPRESSAVG: 979000 -19.312 16.7957 33.8237 15.4011 -37.4153 8.65738 34.0373 9.42735 42.2812 TIMING: 979000 CPU: 2904.03, 0.00297345/step Wall: 2904.03, 0.00297345/step, 3.32117 hours remaining, 206.707031 MB of memory in use. ENERGY: 979000 797.2409 2043.7751 1924.7400 113.1150 -206096.7013 17668.7978 0.0000 0.0000 34238.3445 -149310.6880 299.0120 -183549.0325 -149203.8932 299.2517 -159.6591 -127.5133 556590.0095 -4.8875 -4.8154 PRESSURE: 979200 -206.617 -37.6811 16.0734 -37.6808 -101.311 -27.3709 16.073 -27.3715 8.72 GPRESSURE: 979200 -159.191 -31.6959 44.8713 31.011 -88.6909 -18.5144 -7.43741 -107.199 37.8697 PRESSAVG: 979200 -28.7389 35.8506 23.6875 35.8506 -13.8695 5.53026 23.6875 5.53029 24.4558 GPRESSAVG: 979200 -28.9251 36.7721 24.7845 35.5493 -14.0816 7.39478 24.0782 6.43151 24.3895 TIMING: 979200 CPU: 2904.62, 0.00296013/step Wall: 2904.62, 0.00296013/step, 3.30613 hours remaining, 206.707031 MB of memory in use. ENERGY: 979200 765.9152 2046.2340 1911.4943 107.9208 -205861.4531 17544.4551 0.0000 0.0000 34219.1218 -149266.3120 298.8441 -183485.4338 -149171.2657 298.5560 -99.7361 -70.0042 556919.4980 -6.0509 -6.2057 PRESSURE: 979400 18.5184 53.6931 -120.413 53.6909 -331.188 -90.9074 -120.412 -90.9075 -209.847 GPRESSURE: 979400 85.7329 13.1066 -5.72841 14.7808 -310.073 -103.086 -174.52 -126.777 -194.133 PRESSAVG: 979400 -28.6708 17.5881 -26.1816 17.5881 32.988 -37.1434 -26.1816 -37.1436 -2.81531 GPRESSAVG: 979400 -29.0045 17.2631 -27.3124 18.9975 32.9281 -36.5232 -26.4629 -38.8676 -3.25702 TIMING: 979400 CPU: 2905.21, 0.00296192/step Wall: 2905.21, 0.00296192/step, 3.30797 hours remaining, 206.707031 MB of memory in use. ENERGY: 979400 756.3103 2120.6177 1952.8353 121.9924 -205888.1932 17571.0629 0.0000 0.0000 34273.5921 -149091.7826 299.3198 -183365.3747 -149001.7734 299.7319 -174.1721 -139.4912 557344.0322 0.5006 0.2222 PRESSURE: 979600 -52.9842 51.6218 37.8706 51.6213 16.7916 -126.412 37.8703 -126.411 -440.441 GPRESSURE: 979600 -84.9902 1.41731 96.0603 99.2415 70.2334 -80.5216 -40.2189 -140.166 -363.757 PRESSAVG: 979600 28.5091 11.8195 0.0523851 11.8195 59.8265 -27.1453 0.0524478 -27.1452 -75.1035 GPRESSAVG: 979600 27.0945 9.70658 0.528936 13.334 60.0228 -28.2026 -0.0948563 -26.0711 -74.3884 TIMING: 979600 CPU: 2905.81, 0.00297242/step Wall: 2905.81, 0.00297242/step, 3.31953 hours remaining, 206.707031 MB of memory in use. ENERGY: 979600 749.5459 2131.4325 1965.1230 127.4984 -206258.7110 17667.4723 0.0000 0.0000 34404.6636 -149212.9751 300.4645 -183617.6388 -149117.8169 299.5489 -158.8780 -126.1713 557808.8850 4.4107 4.2430 PRESSURE: 979800 335.04 261.167 -111.342 261.167 192.674 88.7201 -111.341 88.72 203.918 GPRESSURE: 979800 363.383 212.18 -76.9299 244.774 243.267 27.2228 -139.44 137.548 227.882 PRESSAVG: 979800 0.050134 4.47449 -2.5065 4.47444 35.1033 -39.7532 -2.5065 -39.7532 -27.2567 GPRESSAVG: 979800 0.388662 4.07869 -2.01762 2.8458 35.417 -41.5014 -2.91636 -37.1475 -27.8117 TIMING: 979800 CPU: 2906.4, 0.00297096/step Wall: 2906.4, 0.00297096/step, 3.31774 hours remaining, 206.707031 MB of memory in use. ENERGY: 979800 733.7836 2089.1549 1913.1636 102.8145 -206396.8608 18100.2204 0.0000 0.0000 34217.8111 -149239.9126 298.8327 -183457.7237 -149142.6641 299.3131 243.8775 278.1776 555370.4324 2.6322 2.6647 PRESSURE: 980000 -204.107 34.2639 -64.1134 34.2635 -107.123 7.63664 -64.1134 7.63699 -68.1191 GPRESSURE: 980000 -124.775 19.5964 -107.545 11.5478 -133.913 -17.5443 28.4232 52.2167 -26.9364 PRESSAVG: 980000 -6.56786 4.68371 37.8483 4.6837 -18.9118 30.8152 37.8483 30.8154 -14.182 GPRESSAVG: 980000 -6.85446 7.92415 37.8486 4.1495 -19.9869 31.8607 40.7074 29.3791 -13.2059 TIMING: 980000 CPU: 2906.99, 0.00296399/step Wall: 2906.99, 0.00296399/step, 3.30979 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: 980000 675.7722 2102.2440 1963.9972 109.6003 -205915.7891 17430.4334 0.0000 0.0000 34329.6041 -149304.1379 299.8090 -183633.7420 -149202.3266 298.8119 -126.4498 -95.2084 556328.4689 -13.2205 -13.3491 PRESSURE: 980200 437.672 -6.87136 132.076 -6.86998 260.166 -19.335 132.075 -19.3339 99.8761 GPRESSURE: 980200 468.931 22.663 113.391 -61.8755 242.12 -6.05705 177.287 -49.9522 169.084 PRESSAVG: 980200 21.8498 49.5619 47.7377 49.562 61.5383 17.2416 47.7377 17.2416 -56.6242 GPRESSAVG: 980200 21.865 48.7826 47.2628 50.4744 61.219 19.2206 45.5869 16.0591 -57.3344 TIMING: 980200 CPU: 2907.59, 0.00297859/step Wall: 2907.59, 0.00297859/step, 3.32593 hours remaining, 206.707031 MB of memory in use. ENERGY: 980200 723.9580 2099.2905 1923.8142 104.3863 -206160.8347 18067.0546 0.0000 0.0000 34006.4127 -149235.9185 296.9865 -183242.3312 -149146.2018 299.1268 265.9047 293.3785 555251.3897 8.9213 8.5832 LDB: ============= START OF LOAD BALANCING ============== 2911.02 LDB: ============== END OF LOAD BALANCING =============== 2911.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2911.02 LDB: ============= START OF LOAD BALANCING ============== 2911.32 LDB: Largest compute 4820 load 0.032452 is 27.5% of average load 0.117811 LDB: Average compute 0.001741 is 1.5% of average load 0.117811 LDB: TIME 2911.32 LOAD: AVG 0.117811 MAX 0.196585 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 2911.32 LOAD: AVG 0.117811 MAX 0.196585 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: TIME 2911.32 LOAD: AVG 0.117811 MAX 0.196585 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2911.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2911.33 PRESSURE: 980400 102.708 -36.8871 -30.1926 -36.886 -11.5712 -60.7411 -30.1938 -60.7401 -67.9971 GPRESSURE: 980400 153.582 -32.7925 -40.2583 -3.88557 99.7786 -57.7702 -66.6658 -79.8482 -126.362 PRESSAVG: 980400 24.1198 -57.9316 51.666 -57.9317 14.9829 -43.0428 51.666 -43.043 -20.2513 GPRESSAVG: 980400 23.3282 -59.5595 52.3861 -57.7299 16.5943 -46.3437 49.3955 -42.2232 -20.6825 TIMING: 980400 CPU: 2908.2, 0.0030535/step Wall: 2908.2, 0.0030535/step, 3.4094 hours remaining, 205.937500 MB of memory in use. ENERGY: 980400 765.0179 2067.4880 1917.4724 89.6402 -206181.5914 17847.4206 0.0000 0.0000 34196.4510 -149298.1014 298.6461 -183494.5524 -149206.5710 298.1656 7.7134 42.3329 557890.8112 6.2838 6.4133 PRESSURE: 980600 105.577 -30.0996 51.9337 -30.0992 118.206 -55.2996 51.9327 -55.299 242.977 GPRESSURE: 980600 187.786 -39.1028 89.9553 0.456208 57.2979 -41.6784 36.018 -136.156 330.313 PRESSAVG: 980600 -44.7503 -30.8427 14.8398 -30.8427 56.2287 -13.8893 14.8398 -13.8893 8.35364 GPRESSAVG: 980600 -44.0461 -29.9809 14.1158 -31.4849 55.4288 -12.5024 17.3163 -15.5293 8.72425 TIMING: 980600 CPU: 2908.79, 0.00297523/step Wall: 2908.79, 0.00297523/step, 3.32184 hours remaining, 205.937500 MB of memory in use. ENERGY: 980600 719.2183 2034.7016 1938.5011 131.6948 -206301.4053 17937.0235 0.0000 0.0000 34063.3196 -149476.9463 297.4834 -183540.2659 -149389.5468 298.5536 155.5868 191.7987 556950.8928 6.6107 6.7023 PRESSURE: 980800 -234.294 -34.2751 -173.734 -34.2751 -100.282 -11.3179 -173.735 -11.3187 -26.6698 GPRESSURE: 980800 -168.02 -61.782 -150.658 -38.9694 -47.157 -63.1055 -149.573 80.3666 -56.9618 PRESSAVG: 980800 -24.0498 -13.1914 -2.97796 -13.1914 6.20082 8.08101 -2.97799 8.08103 20.2236 GPRESSAVG: 980800 -24.1781 -11.6589 -1.58719 -14.3582 6.46248 9.74496 -5.4119 8.17499 20.2027 TIMING: 980800 CPU: 2909.39, 0.00297215/step Wall: 2909.39, 0.00297215/step, 3.31824 hours remaining, 205.937500 MB of memory in use. ENERGY: 980800 744.2158 2024.0235 1918.5641 103.6204 -206020.2936 17668.1244 0.0000 0.0000 33935.6767 -149626.0688 296.3687 -183561.7456 -149525.3631 298.2061 -120.4153 -90.7130 558709.8190 0.7916 0.8290 PRESSURE: 981000 -88.2903 44.0361 36.4729 44.0335 -31.3229 160.95 36.4733 160.95 -152.686 GPRESSURE: 981000 -107.55 2.01099 -30.9516 48.298 27.7557 111.384 -27.272 231.167 -90.0516 PRESSAVG: 981000 14.5144 13.3319 16.2472 13.3319 -2.85897 -29.6046 16.2472 -29.6045 -34.4214 GPRESSAVG: 981000 14.277 13.0049 15.3326 12.635 -2.46766 -31.719 18.2618 -28.8981 -34.0549 TIMING: 981000 CPU: 2909.98, 0.0029732/step Wall: 2909.98, 0.0029732/step, 3.31925 hours remaining, 205.937500 MB of memory in use. ENERGY: 981000 760.1259 2052.3663 1917.4598 111.4573 -206191.0462 17779.2133 0.0000 0.0000 34118.2251 -149452.1985 297.9629 -183570.4237 -149359.9893 297.9131 -90.7664 -56.6154 556895.7253 -7.5886 -7.4152 PRESSURE: 981200 35.969 -25.7404 -151.733 -25.7412 75.1138 -186.247 -151.734 -186.246 -41.8257 GPRESSURE: 981200 87.2182 -41.6851 -119.635 78.3691 98.2798 -288.84 -207.208 -178.352 -11.4314 PRESSAVG: 981200 43.5762 -31.4285 -58.6422 -31.4285 8.25587 9.6203 -58.6423 9.6203 -28.1435 GPRESSAVG: 981200 44.1274 -32.2781 -57.7557 -30.8927 8.02377 11.5128 -58.3489 9.35531 -28.838 TIMING: 981200 CPU: 2910.57, 0.00295246/step Wall: 2910.57, 0.00295246/step, 3.29593 hours remaining, 205.937500 MB of memory in use. ENERGY: 981200 766.3011 2052.1345 1949.5174 125.5200 -206504.1405 17914.5476 0.0000 0.0000 34119.4232 -149576.6967 297.9734 -183696.1199 -149483.2669 297.4127 23.0857 58.0222 556946.3237 7.8962 7.7711 PRESSURE: 981400 -93.3479 -56.984 67.8727 -56.984 -131.416 90.9078 67.8731 90.9074 -205.5 GPRESSURE: 981400 -88.476 -67.9333 10.7503 3.37064 -69.5149 20.841 88.8499 159.014 -163.341 PRESSAVG: 981400 8.28628 4.22306 24.2319 4.22316 52.0557 -31.4626 24.232 -31.4625 -76.0944 GPRESSAVG: 981400 7.90063 3.45852 25.8361 4.48077 52.063 -32.2537 20.327 -30.7851 -76.1329 TIMING: 981400 CPU: 2911.17, 0.00298069/step Wall: 2911.17, 0.00298069/step, 3.32727 hours remaining, 205.937500 MB of memory in use. ENERGY: 981400 759.2606 1989.4961 1940.5449 106.6581 -206330.8577 17740.4922 0.0000 0.0000 34134.2986 -149660.1071 298.1033 -183794.4058 -149559.7323 297.4391 -143.4215 -107.1107 558264.2639 -5.2508 -5.3898 PRESSURE: 981600 -46.1761 54.6995 -103.58 54.699 -57.7031 -48.9242 -103.579 -48.9246 27.8334 GPRESSURE: 981600 -12.7077 0.494585 -17.3011 154.039 -56.5164 -28.2962 -169.401 -80.7 80.5185 PRESSAVG: 981600 16.3207 -41.6723 36.911 -41.6723 -2.86352 -0.725644 36.9109 -0.725442 -17.0124 GPRESSAVG: 981600 15.5888 -41.5156 34.7297 -39.4332 -2.88578 -1.29337 40.2977 -0.919845 -15.966 TIMING: 981600 CPU: 2911.77, 0.00298/step Wall: 2911.77, 0.00298/step, 3.32634 hours remaining, 205.937500 MB of memory in use. ENERGY: 981600 757.2975 2049.1812 1943.9517 114.0935 -206388.6981 17896.6662 0.0000 0.0000 33911.9878 -149715.5203 296.1618 -183627.5081 -149627.5348 297.9525 -25.3486 3.7648 558371.8005 -1.1851 -1.0876 PRESSURE: 981800 214.238 -9.24948 88.5958 -9.24857 -48.917 -85.3346 88.5958 -85.3339 47.4308 GPRESSURE: 981800 193.773 -22.9942 71.1271 -13.685 54.7974 -54.9069 70.539 -115.345 69.2224 PRESSAVG: 981800 28.2942 52.69 -32.426 52.69 -7.5598 -8.01465 -32.4261 -8.01454 31.4833 GPRESSAVG: 981800 27.933 52.9126 -32.8197 51.3538 -5.96431 -9.15157 -31.0424 -6.12867 30.7179 TIMING: 981800 CPU: 2912.36, 0.00297923/step Wall: 2912.36, 0.00297923/step, 3.32531 hours remaining, 205.937500 MB of memory in use. ENERGY: 981800 772.4962 2042.9320 1961.5413 117.4263 -206830.4178 18080.2980 0.0000 0.0000 34242.7698 -149612.9541 299.0506 -183855.7240 -149518.3624 298.0530 70.9172 105.9311 558703.4331 17.4059 17.5622 PRESSURE: 982000 -174.521 140.888 187.832 140.887 -598.583 0.32571 187.831 0.325881 -226.562 GPRESSURE: 982000 -111.026 115.873 203.39 148.966 -577.663 41.6259 113.903 -84.2315 -207.246 PRESSAVG: 982000 -1.82337 -8.71827 37.822 -8.71823 -2.04566 12.1865 37.8219 12.1865 -9.0638 GPRESSAVG: 982000 -1.63541 -11.0438 38.1839 -8.24115 -1.97856 13.6432 36.7659 10.5495 -9.48667 TIMING: 982000 CPU: 2912.96, 0.00297106/step Wall: 2912.96, 0.00297106/step, 3.31604 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: 982000 748.7136 2074.5044 1926.3396 109.0698 -206041.0565 17478.8635 0.0000 0.0000 33998.0621 -149705.5034 296.9135 -183703.5655 -149610.4253 297.6893 -333.2220 -298.6450 558455.9906 -4.3109 -4.3669 PRESSURE: 982200 -317.26 -17.4459 77.7724 -17.4459 22.1618 -39.3409 77.773 -39.3413 160.039 GPRESSURE: 982200 -289.88 -30.138 152.604 -30.3899 51.0943 18.5195 35.4942 -97.3833 199.472 PRESSAVG: 982200 -74.9393 -38.7481 36.7654 -38.7479 38.445 -32.6185 36.7654 -32.6184 32.1871 GPRESSAVG: 982200 -74.2879 -36.3099 37.5154 -39.6645 37.5344 -32.2197 35.5828 -33.2581 31.821 TIMING: 982200 CPU: 2913.55, 0.00299347/step Wall: 2913.55, 0.00299347/step, 3.34088 hours remaining, 205.937500 MB of memory in use. ENERGY: 982200 728.4936 2066.4386 1955.6426 107.1216 -206250.0972 17761.8026 0.0000 0.0000 34041.5533 -149589.0449 297.2934 -183630.5981 -149495.8758 297.9031 -45.0199 -13.1044 557548.8594 -1.4358 -1.6442 PRESSURE: 982400 -24.7156 -34.9597 82.3967 -34.9609 -74.4013 138.33 82.3964 138.332 156.475 GPRESSURE: 982400 12.9137 -36.2519 20.08 -37.6018 17.7776 164.554 82.3777 159.051 127.756 PRESSAVG: 982400 23.4601 -33.0594 34.1986 -33.0595 -28.269 -46.7997 34.1985 -46.7998 7.96032 GPRESSAVG: 982400 23.8005 -32.937 32.1239 -34.7623 -29.0859 -48.9569 36.1123 -46.5723 7.94648 TIMING: 982400 CPU: 2914.15, 0.00298804/step Wall: 2914.15, 0.00298804/step, 3.33465 hours remaining, 205.937500 MB of memory in use. ENERGY: 982400 743.3116 2049.8311 1954.9670 110.4607 -206589.6442 17961.3571 0.0000 0.0000 34133.1743 -149636.5425 298.0935 -183769.7168 -149543.8209 297.5145 19.1195 52.8156 558614.9338 1.0505 0.8870 PRESSURE: 982600 2.18104 216.5 31.8608 216.501 236.398 92.9906 31.8607 92.9895 -249.478 GPRESSURE: 982600 76.7189 183.779 -23.3771 201.805 199.927 81.178 64.1212 85.1448 -202.486 PRESSAVG: 982600 -6.62832 27.3254 26.3683 27.3254 20.4422 -6.84854 26.3682 -6.84862 -28.468 GPRESSAVG: 982600 -7.71933 25.9674 26.5809 29.0043 20.7666 -4.87229 25.7733 -7.76448 -28.19 TIMING: 982600 CPU: 2914.75, 0.0029755/step Wall: 2914.75, 0.0029755/step, 3.32049 hours remaining, 205.937500 MB of memory in use. ENERGY: 982600 754.2485 2028.7023 1957.8773 103.8536 -206368.6829 17772.1262 0.0000 0.0000 34305.8674 -149446.0077 299.6017 -183751.8751 -149350.2487 298.6390 -3.6331 24.7202 557141.3476 -4.8847 -5.0476 PRESSURE: 982800 283.835 118.313 134.794 118.311 112.712 -18.5622 134.793 -18.5621 71.3141 GPRESSURE: 982800 278.199 109.417 156.583 93.1696 191.111 20.4431 19.6951 0.0206472 86.9328 PRESSAVG: 982800 33.7413 41.8518 12.5675 41.8517 11.4185 3.06696 12.5676 3.06709 -4.89803 GPRESSAVG: 982800 34.1442 41.6423 15.7016 43.2386 10.8186 2.78215 9.43591 3.12045 -5.25686 TIMING: 982800 CPU: 2915.34, 0.00297497/step Wall: 2915.34, 0.00297497/step, 3.31973 hours remaining, 205.937500 MB of memory in use. ENERGY: 982800 720.7634 2113.0867 1951.1959 123.1570 -206292.3372 17980.1663 0.0000 0.0000 34087.0661 -149316.9018 297.6908 -183403.9679 -149223.2408 298.4667 155.9536 185.4144 557138.5675 13.4206 13.2353 PRESSURE: 983000 66.1543 -112.488 -88.6851 -112.486 114.203 120.044 -88.6851 120.044 24.1205 GPRESSURE: 983000 84.4144 -135.281 -61.8984 -61.2214 200.931 228.912 -3.82351 25.7765 12.9837 PRESSAVG: 983000 57.4455 50.2868 18.8246 50.2868 -50.5986 6.07778 18.8247 6.07791 18.5604 GPRESSAVG: 983000 55.7278 52.5025 16.89 48.9634 -49.6228 5.96483 21.8137 4.92571 19.0015 TIMING: 983000 CPU: 2915.94, 0.00296597/step Wall: 2915.94, 0.00296597/step, 3.30953 hours remaining, 205.937500 MB of memory in use. ENERGY: 983000 717.9566 2089.1874 1936.6208 108.5816 -206815.8172 18067.5942 0.0000 0.0000 34334.9076 -149560.9690 299.8553 -183895.8766 -149463.4753 298.8962 68.1594 99.4431 557398.7427 8.4691 8.3688 PRESSURE: 983200 -361.755 -49.6727 -55.4689 -49.6738 -127.975 -50.7992 -55.4695 -50.799 -59.5389 GPRESSURE: 983200 -349.737 -29.7626 -133.392 -76.2432 -83.4783 -82.9146 8.70052 -74.7389 -22.599 PRESSAVG: 983200 -15.407 7.1038 -4.48604 7.10376 41.6591 24.6039 -4.48597 24.6038 19.4612 GPRESSAVG: 983200 -14.3524 5.57562 -7.81627 6.65801 40.7707 23.1938 -2.67893 29.5319 19.3014 TIMING: 983200 CPU: 2916.53, 0.00297008/step Wall: 2916.53, 0.00297008/step, 3.31395 hours remaining, 205.937500 MB of memory in use. ENERGY: 983200 735.8059 2090.8150 1927.1736 104.6723 -206353.6337 17623.9970 0.0000 0.0000 34139.6630 -149731.5068 298.1502 -183871.1698 -149633.6834 298.7049 -183.0895 -151.9383 557890.0661 15.2378 15.2399 PRESSURE: 983400 0.490128 80.0386 -49.6754 80.0391 -96.9894 68.5379 -49.6735 68.5391 -39.7995 GPRESSURE: 983400 61.3074 21.2153 -98.6792 159.722 -95.9098 120.922 96.4632 66.0511 -7.72552 PRESSAVG: 983400 -26.7772 -23.0628 -18.9532 -23.0629 29.6399 -0.98846 -18.9532 -0.988441 -35.8411 GPRESSAVG: 983400 -28.0496 -22.5866 -16.0495 -21.7668 29.9603 -0.0847191 -20.4496 -3.35586 -35.6643 TIMING: 983400 CPU: 2917.12, 0.00295743/step Wall: 2917.12, 0.00295743/step, 3.29967 hours remaining, 205.937500 MB of memory in use. ENERGY: 983400 745.3865 2101.3509 1948.0678 105.2550 -206250.8359 17595.9951 0.0000 0.0000 33972.5028 -149782.2778 296.6903 -183754.7806 -149680.5856 297.6457 -45.4329 -14.1093 556474.1843 -10.9928 -11.2512 PRESSURE: 983600 73.8355 52.0143 -26.4228 52.0136 125.438 -85.495 -26.4222 -85.4949 121.402 GPRESSURE: 983600 91.094 34.2672 15.8689 42.5513 173.453 -24.8029 22.0331 -95.3839 151.936 PRESSAVG: 983600 -46.335 4.16201 14.8491 4.1622 34.9243 6.57191 14.8491 6.57181 2.87379 GPRESSAVG: 983600 -44.6627 2.99327 14.7866 2.65098 34.2985 8.0414 14.2823 6.56392 2.21993 TIMING: 983600 CPU: 2917.71, 0.00296516/step Wall: 2917.71, 0.00296516/step, 3.30813 hours remaining, 205.937500 MB of memory in use. ENERGY: 983600 716.0126 2133.5400 1982.3253 109.8332 -206402.5387 17968.8190 0.0000 0.0000 33945.7768 -149546.2318 296.4569 -183492.0086 -149451.5006 297.5783 106.8918 138.8278 556974.1705 -2.8456 -2.7148 PRESSURE: 983800 52.7419 -61.201 12.5578 -61.2 -23.7025 -63.8543 12.558 -63.853 -153.845 GPRESSURE: 983800 21.6218 -6.77811 144.42 -2.176 13.887 -70.291 66.336 -34.252 -82.2117 PRESSAVG: 983800 6.76553 17.5952 -16.2195 17.5953 53.6026 -3.33718 -16.2195 -3.33719 -70.3475 GPRESSAVG: 983800 6.48181 19.8073 -15.2064 16.5151 53.4 -4.21605 -16.0868 -3.97789 -69.6401 TIMING: 983800 CPU: 2918.31, 0.00296018/step Wall: 2918.31, 0.00296018/step, 3.3024 hours remaining, 205.937500 MB of memory in use. ENERGY: 983800 721.5680 2082.1368 1950.4302 103.7202 -206725.9141 17962.2288 0.0000 0.0000 34126.0181 -149779.8119 298.0310 -183905.8301 -149688.1188 297.4699 -41.6019 -15.5676 557264.7952 -3.3264 -3.2528 PRESSURE: 984000 -1.17119 -154.562 102.129 -154.561 -124.716 -30.8888 102.129 -30.8885 163.582 GPRESSURE: 984000 53.8574 -197.355 120.407 -141.941 -102.99 40.1549 143.294 -33.3811 176.713 PRESSAVG: 984000 -48.8636 -5.64406 -12.5159 -5.6441 23.5042 43.8304 -12.5159 43.8304 -20.9039 GPRESSAVG: 984000 -49.9859 -8.38855 -15.283 -2.26247 24.5906 44.5935 -10.8533 43.7142 -21.2363 TIMING: 984000 CPU: 2918.9, 0.00296445/step Wall: 2918.9, 0.00296445/step, 3.30701 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: 984000 741.7700 2059.8044 1943.7745 102.1609 -206756.5335 17867.8109 0.0000 0.0000 34357.8310 -149683.3817 300.0555 -184041.2128 -149587.7953 297.9961 12.5649 42.5269 556532.8771 -15.4211 -15.5439 PRESSURE: 984200 27.0076 -184.571 -159.889 -184.571 -308.578 134.06 -159.889 134.061 -203.14 GPRESSURE: 984200 75.8345 -167.512 -114.112 -148.61 -296.669 100.088 -169.743 113.08 -177.017 PRESSAVG: 984200 5.60484 -4.71258 19.2699 -4.71257 4.49981 -11.3408 19.27 -11.3408 38.0034 GPRESSAVG: 984200 5.89885 -2.37765 22.1764 -7.40504 4.00015 -13.2221 17.0227 -12.9785 38.0245 TIMING: 984200 CPU: 2919.49, 0.0029679/step Wall: 2919.49, 0.0029679/step, 3.3107 hours remaining, 205.937500 MB of memory in use. ENERGY: 984200 744.8097 2099.7897 1945.8239 112.0799 -206287.9769 17439.0222 0.0000 0.0000 34187.3293 -149759.1223 298.5664 -183946.4515 -149663.2777 297.9815 -161.5701 -132.6173 557324.7106 16.0360 15.9745 LDB: ============= START OF LOAD BALANCING ============== 2922.92 LDB: ============== END OF LOAD BALANCING =============== 2922.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2922.92 LDB: ============= START OF LOAD BALANCING ============== 2923.22 LDB: Largest compute 4820 load 0.031124 is 26.4% of average load 0.117890 LDB: Average compute 0.001739 is 1.5% of average load 0.117890 LDB: TIME 2923.22 LOAD: AVG 0.11789 MAX 0.198088 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.246 MB LDB: TIME 2923.22 LOAD: AVG 0.11789 MAX 0.198088 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: TIME 2923.22 LOAD: AVG 0.11789 MAX 0.198088 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.32 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2923.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2923.23 PRESSURE: 984400 73.7192 122.777 -124.942 122.776 -181.968 24.8551 -124.941 24.8539 33.181 GPRESSURE: 984400 44.7766 103.39 -118.161 97.1046 -90.5636 73.0156 -180.019 86.0299 94.1817 PRESSAVG: 984400 -12.5448 25.5558 -14.0906 25.5559 38.499 -21.5485 -14.0906 -21.5484 -24.3301 GPRESSAVG: 984400 -13.5694 24.1702 -13.2207 26.2095 39.2741 -19.6537 -14.0139 -21.3223 -23.7166 TIMING: 984400 CPU: 2920.1, 0.00303595/step Wall: 2920.1, 0.00303595/step, 3.38644 hours remaining, 205.738281 MB of memory in use. ENERGY: 984400 748.0890 2135.5568 1947.7241 111.5787 -206796.1304 17951.9165 0.0000 0.0000 34200.2859 -149700.9793 298.6796 -183901.2652 -149611.9081 298.2213 -25.0227 16.1315 557267.8788 0.5414 0.6627 PRESSURE: 984600 -71.2519 38.8329 -31.3228 38.8328 -261.961 -9.15571 -31.3221 -9.15731 -0.646137 GPRESSURE: 984600 -4.04962 169.152 -85.1252 -81.0109 -292.866 -82.8021 -3.01609 78.9675 67.0413 PRESSAVG: 984600 -28.434 -25.5504 -48.1489 -25.5504 -55.609 -2.69685 -48.149 -2.69686 95.6647 GPRESSAVG: 984600 -26.9272 -25.7598 -49.3823 -24.0328 -56.0543 -1.79212 -47.1606 -2.74469 94.4271 TIMING: 984600 CPU: 2920.7, 0.00297832/step Wall: 2920.7, 0.00297832/step, 3.32199 hours remaining, 205.937500 MB of memory in use. ENERGY: 984600 746.1181 2039.0002 1964.1028 109.4427 -206105.2348 17585.0262 0.0000 0.0000 33909.2180 -149752.3268 296.1376 -183661.5448 -149650.0756 298.0313 -111.2863 -76.6247 556996.8913 3.8739 3.8152 PRESSURE: 984800 43.1775 -134.974 -60.144 -134.975 130.619 -120.747 -60.144 -120.747 -98.3919 GPRESSURE: 984800 32.0595 -140.606 -144.323 -69.2979 149.034 -12.9471 -114.255 -183.902 -12.018 PRESSAVG: 984800 10.0498 8.45818 -17.3158 8.45821 30.7028 -28.7815 -17.3157 -28.7815 -6.81628 GPRESSAVG: 984800 9.84997 8.33199 -16.5873 8.08156 30.4756 -28.9977 -17.4701 -30.058 -5.93923 TIMING: 984800 CPU: 2921.29, 0.00296594/step Wall: 2921.29, 0.00296594/step, 3.30802 hours remaining, 205.937500 MB of memory in use. ENERGY: 984800 740.6271 2039.6657 1952.6335 116.0357 -206448.2928 17837.3423 0.0000 0.0000 34217.9900 -149543.9985 298.8342 -183761.9885 -149439.3899 298.5335 25.1350 56.3584 557504.0553 11.3121 11.4621 PRESSURE: 985000 -130.865 -82.5194 139.013 -82.5198 -104.482 77.1155 139.014 77.1141 -235.824 GPRESSURE: 985000 -170.725 -129.847 88.0883 -83.0598 -40.2421 18.4282 137.949 101.961 -164.338 PRESSAVG: 985000 -21.0155 -54.7416 15.889 -54.7416 -12.708 8.90487 15.8891 8.90479 0.307209 GPRESSAVG: 985000 -20.8211 -52.425 15.7355 -58.0839 -13.5976 7.2079 15.4519 10.5494 0.753879 TIMING: 985000 CPU: 2921.88, 0.00293572/step Wall: 2921.88, 0.00293572/step, 3.27414 hours remaining, 205.937500 MB of memory in use. ENERGY: 985000 757.5550 2080.9228 1924.6475 113.2495 -206164.2752 17646.7874 0.0000 0.0000 34263.3577 -149377.7551 299.2304 -183641.1128 -149277.6091 299.3984 -157.0567 -125.1018 557478.1725 -11.1388 -11.2216 PRESSURE: 985200 -259.266 -193.973 -72.0505 -193.972 -277.596 -10.3884 -72.0497 -10.3881 106.523 GPRESSURE: 985200 -269.888 -142.531 -79.1104 -161.761 -238.08 -63.9951 -99.136 3.56069 163.515 PRESSAVG: 985200 -29.4327 -79.2854 52.0903 -79.2854 56.5008 42.8987 52.0904 42.8987 -8.92515 GPRESSAVG: 985200 -28.5291 -81.0033 52.7695 -77.6058 56.3567 43.4075 52.3734 41.5916 -9.97077 TIMING: 985200 CPU: 2922.47, 0.00295884/step Wall: 2922.47, 0.00295884/step, 3.29976 hours remaining, 205.937500 MB of memory in use. ENERGY: 985200 770.8802 2074.5758 1942.9245 99.6033 -206303.3809 17800.6738 0.0000 0.0000 34209.5125 -149405.2106 298.7602 -183614.7231 -149315.1986 298.7115 -143.4462 -114.8179 558453.3924 6.0477 5.9523 PRESSURE: 985400 -234.075 52.155 1.77212 52.1541 -107.603 107.152 1.77189 107.153 21.3211 GPRESSURE: 985400 -177.813 74.1846 51.7301 27.0664 -66.429 85.987 -41.1274 105.316 13.2106 PRESSAVG: 985400 -47.6384 -10.7524 15.6205 -10.7524 3.33619 40.2919 15.6206 40.2919 33.4871 GPRESSAVG: 985400 -48.4648 -9.7502 15.6637 -9.22446 3.94252 40.4535 16.5605 41.5878 33.6756 TIMING: 985400 CPU: 2923.05, 0.00293487/step Wall: 2923.05, 0.00293487/step, 3.27286 hours remaining, 205.937500 MB of memory in use. ENERGY: 985400 752.7787 2019.0362 1911.6153 117.4913 -206080.8241 17657.5076 0.0000 0.0000 34379.2344 -149243.1605 300.2424 -183622.3949 -149139.2642 298.0341 -106.7855 -77.0106 558473.1334 -3.6050 -3.6156 PRESSURE: 985600 -30.3055 127.115 -23.5905 127.116 16.4374 -80.3059 -23.5904 -80.3054 -22.4193 GPRESSURE: 985600 -36.1389 116.198 -67.9485 119.822 48.1372 -53.9108 -11.2593 -46.0909 33.2237 PRESSAVG: 985600 58.7351 -2.91718 23.2149 -2.91722 -7.6269 4.97694 23.2149 4.97703 -10.5227 GPRESSAVG: 985600 57.9357 -4.27937 22.0749 -2.9797 -7.00116 4.65915 21.7692 5.39872 -10.4952 TIMING: 985600 CPU: 2923.64, 0.00294716/step Wall: 2923.64, 0.00294716/step, 3.28641 hours remaining, 205.937500 MB of memory in use. ENERGY: 985600 786.5933 2063.1816 1943.7697 134.3769 -206626.0258 18034.9854 0.0000 0.0000 34376.7954 -149286.3235 300.2211 -183663.1189 -149187.6275 298.8642 -12.0958 15.0740 557440.0830 13.5285 13.4798 PRESSURE: 985800 64.1252 64.1246 56.5547 64.1251 6.12185 -69.7584 56.5544 -69.7577 -18.2694 GPRESSURE: 985800 50.3421 -2.80084 56.3731 85.118 80.3946 -59.6469 62.2454 -63.2989 10.0131 PRESSAVG: 985800 -12.8823 -6.23541 -47.4576 -6.2354 21.0125 -17.1936 -47.4575 -17.1937 13.0953 GPRESSAVG: 985800 -13.4737 -7.40063 -47.9435 -7.73426 21.2073 -18.4442 -45.7494 -16.2332 13.2374 TIMING: 985800 CPU: 2924.24, 0.00296343/step Wall: 2924.24, 0.00296343/step, 3.30439 hours remaining, 205.937500 MB of memory in use. ENERGY: 985800 732.1425 2085.2455 1974.3689 127.0262 -206092.1399 17747.6986 0.0000 0.0000 34341.0798 -149084.5784 299.9092 -183425.6582 -148987.6844 299.6377 17.3259 46.9166 558327.7751 7.0752 6.9903 PRESSURE: 986000 -296.496 -44.0181 -56.7967 -44.0176 -47.8681 -11.6841 -56.7974 -11.6857 14.6977 GPRESSURE: 986000 -248.998 -70.1306 -51.6171 -104.586 -33.9625 -16.4401 -13.7393 50.0195 56.776 PRESSAVG: 986000 -28.3103 -39.8539 22.6638 -39.8538 82.3577 -56.9173 22.6637 -56.9172 -17.6321 GPRESSAVG: 986000 -26.4595 -40.0147 20.1921 -37.0349 80.7767 -55.7988 23.2606 -61.2597 -17.949 TIMING: 986000 CPU: 2924.83, 0.00298272/step Wall: 2924.83, 0.00298272/step, 3.32573 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: 986000 756.3011 2064.7213 1970.2272 121.8417 -206004.9223 17661.1844 0.0000 0.0000 34329.7885 -149100.8581 299.8106 -183430.6466 -149006.6228 300.0100 -109.8888 -75.3950 557941.2435 12.1384 12.1228 PRESSURE: 986200 -86.6029 -87.488 -22.6672 -87.4883 15.193 39.9721 -22.6677 39.9724 -231.972 GPRESSURE: 986200 -26.258 -132.804 -118.89 -14.481 54.6675 -88.9329 39.6029 148.253 -230.252 PRESSAVG: 986200 -21.6045 -47.5116 60.9522 -47.5116 23.9249 -7.5504 60.9521 -7.55047 -19.2837 GPRESSAVG: 986200 -21.3187 -44.3159 63.6972 -50.6199 23.8676 -6.13985 58.4185 -7.58207 -18.9784 TIMING: 986200 CPU: 2925.43, 0.00298294/step Wall: 2925.43, 0.00298294/step, 3.32581 hours remaining, 205.937500 MB of memory in use. ENERGY: 986200 753.0063 2098.2309 1924.1720 106.5944 -205937.7969 17618.2324 0.0000 0.0000 34606.0951 -148831.4659 302.2236 -183437.5610 -148730.4184 299.6835 -101.1274 -67.2807 558956.8259 -5.6544 -5.4765 PRESSURE: 986400 221.486 62.4416 -60.8232 62.4409 -40.0442 -85.1009 -60.8211 -85.1025 -13.3179 GPRESSURE: 986400 185.956 56.7419 21.6018 28.872 -20.7011 -71.9435 -103.558 -100.826 107.534 PRESSAVG: 986400 -50.0635 -11.7265 -66.1235 -11.7265 36.2683 6.84396 -66.1234 6.84402 -7.52623 GPRESSAVG: 986400 -51.5746 -13.6932 -66.8551 -10.895 36.3997 4.54185 -65.4953 7.46033 -6.40856 TIMING: 986400 CPU: 2926.02, 0.00295513/step Wall: 2926.02, 0.00295513/step, 3.29464 hours remaining, 205.937500 MB of memory in use. ENERGY: 986400 717.3565 2096.3097 1987.0444 135.3241 -206378.7868 18029.8087 0.0000 0.0000 34441.0540 -148971.8893 300.7823 -183412.9433 -148867.3894 300.1244 56.0414 90.9297 558265.9921 -7.1072 -7.1945 PRESSURE: 986600 -41.5936 -149.489 -51.6145 -149.49 13.8999 121.448 -51.6143 121.448 -14.6218 GPRESSURE: 986600 28.5792 -178.902 -105.797 -91.5163 54.5756 219.097 65.7516 99.9112 -19.4742 PRESSAVG: 986600 -2.16368 -28.2091 30.5661 -28.2091 -53.2337 -17.5718 30.5661 -17.5718 63.405 GPRESSAVG: 986600 -1.43674 -28.3605 30.7132 -28.0591 -53.8088 -15.1703 32.511 -17.9242 63.2062 TIMING: 986600 CPU: 2926.61, 0.0029682/step Wall: 2926.61, 0.0029682/step, 3.30905 hours remaining, 205.937500 MB of memory in use. ENERGY: 986600 758.0318 2148.0051 1905.2310 116.1511 -205889.7138 17776.5807 0.0000 0.0000 34145.1360 -149040.5781 298.1980 -183185.7140 -148944.5017 300.2359 -14.1052 21.2269 559670.5887 2.6692 2.6536 PRESSURE: 986800 -162.174 -49.7683 -93.8998 -49.7679 -161.972 139.955 -93.898 139.956 -146.482 GPRESSURE: 986800 -151.424 -77.1321 -197.377 -44.7997 -123.144 181.324 -76.4026 119.988 -91.2455 PRESSAVG: 986800 -32.5606 -20.7513 -31.1188 -20.7514 -35.0826 -15.0292 -31.1187 -15.0291 60.1105 GPRESSAVG: 986800 -33.531 -20.2181 -31.7739 -19.2871 -33.1305 -15.2364 -31.1739 -15.3109 59.1631 TIMING: 986800 CPU: 2927.21, 0.00295866/step Wall: 2927.21, 0.00295866/step, 3.29825 hours remaining, 205.937500 MB of memory in use. ENERGY: 986800 760.1462 2129.5625 1970.5159 134.8011 -206063.1735 17602.4177 0.0000 0.0000 34359.7624 -149105.9677 300.0724 -183465.7302 -149003.9262 299.4088 -156.8760 -121.9380 558670.9370 -2.5109 -2.4995 PRESSURE: 987000 -122.155 -140.692 153.683 -140.692 -134.714 -83.5796 153.684 -83.5794 -339.769 GPRESSURE: 987000 -40.2229 -172.598 113.969 -84.7741 -164.023 -116.028 146.272 -37.1393 -283.979 PRESSAVG: 987000 -64.9852 1.53433 -22.902 1.53434 28.67 -23.7126 -22.9019 -23.7126 -12.6451 GPRESSAVG: 987000 -64.2066 2.46293 -21.9098 0.481788 27.3354 -23.8816 -22.108 -22.4413 -12.0576 TIMING: 987000 CPU: 2927.8, 0.00296476/step Wall: 2927.8, 0.00296476/step, 3.30489 hours remaining, 205.937500 MB of memory in use. ENERGY: 987000 769.4610 2116.4294 1912.0971 119.5910 -205744.0260 17551.8869 0.0000 0.0000 34480.3352 -148794.2255 301.1253 -183274.5607 -148687.6423 299.9668 -198.8795 -162.7416 558212.0299 -16.3201 -16.3096 PRESSURE: 987200 -283.684 -106.78 111.05 -106.781 259.781 167.83 111.049 167.831 -59.1278 GPRESSURE: 987200 -218.277 -123.237 69.9911 -116.222 240.348 148.122 180.814 106.548 -17.1635 PRESSAVG: 987200 -40.7734 -9.88774 -31.3301 -9.88764 8.26223 33.2485 -31.3301 33.2485 10.2451 GPRESSAVG: 987200 -41.7985 -10.4524 -30.191 -11.6738 9.21279 32.1175 -34.9232 34.2936 10.4991 TIMING: 987200 CPU: 2928.39, 0.00296383/step Wall: 2928.39, 0.00296383/step, 3.30368 hours remaining, 205.937500 MB of memory in use. ENERGY: 987200 743.8322 2097.8164 1913.4937 113.4368 -206016.0050 17911.0582 0.0000 0.0000 34479.1976 -148757.1700 301.1154 -183236.3676 -148660.1137 300.6895 -27.6767 1.6360 558735.0913 -7.4220 -7.3622 PRESSURE: 987400 -167.78 -49.643 -51.4951 -49.6424 -23.2791 -4.72086 -51.4947 -4.7212 -61.276 GPRESSURE: 987400 -134.031 -56.5112 -83.1323 24.2919 65.7525 96.2894 -11.9912 3.08951 -94.8322 PRESSAVG: 987400 -71.1381 -20.213 25.4027 -20.2129 7.58247 24.2826 25.4027 24.2827 32.26 GPRESSAVG: 987400 -69.6288 -20.3494 25.193 -16.8428 5.9917 26.7442 26.9375 23.2121 31.9403 TIMING: 987400 CPU: 2928.98, 0.00295784/step Wall: 2928.98, 0.00295784/step, 3.29684 hours remaining, 205.937500 MB of memory in use. ENERGY: 987400 775.9407 2081.6395 1947.1332 107.7595 -205641.6055 17730.7864 0.0000 0.0000 34107.7245 -148890.6216 297.8712 -182998.3461 -148799.7013 300.1346 -84.1117 -54.3704 559127.1040 -10.4319 -10.5656 PRESSURE: 987600 -176.73 35.6063 -33.5941 35.6069 -191.054 -52.2039 -33.5948 -52.2035 -71.1146 GPRESSURE: 987600 -130.009 29.5603 -19.7331 28.9075 -220.207 -98.941 7.12784 -4.79165 2.67798 PRESSAVG: 987600 3.68058 19.4554 39.1833 19.4555 -0.296955 43.7196 39.1832 43.7196 -3.00259 GPRESSAVG: 987600 3.03622 19.0263 38.0814 17.3922 1.41714 43.0869 38.5128 43.5776 -3.5091 TIMING: 987600 CPU: 2929.58, 0.00296231/step Wall: 2929.58, 0.00296231/step, 3.30166 hours remaining, 205.937500 MB of memory in use. ENERGY: 987600 747.8409 2088.5274 1922.6968 116.2559 -205465.1216 17410.5867 0.0000 0.0000 34453.3698 -148725.8440 300.8898 -183179.2138 -148631.2507 299.8118 -146.2996 -115.8460 557863.4063 0.1270 0.3148 PRESSURE: 987800 -166.432 -50.2093 96.3694 -50.2081 -268.58 -14.8218 96.3706 -14.8236 173.59 GPRESSURE: 987800 -106.332 18.3582 87.0663 17.0924 -256.386 -73.6204 148.403 -10.1555 190.462 PRESSAVG: 987800 -51.3142 21.503 45.1677 21.503 13.7171 32.8839 45.1677 32.884 46.9801 GPRESSAVG: 987800 -50.976 21.3213 45.0544 23.2802 12.5819 30.3515 45.8739 32.6987 47.3117 TIMING: 987800 CPU: 2930.17, 0.0029654/step Wall: 2930.17, 0.0029654/step, 3.30494 hours remaining, 205.937500 MB of memory in use. ENERGY: 987800 725.1119 2105.7527 1917.3593 106.4854 -205778.8368 17673.2018 0.0000 0.0000 34582.1394 -148668.7864 302.0144 -183250.9258 -148568.3796 300.0918 -87.1409 -57.4184 558124.9778 3.1277 2.9725 PRESSURE: 988000 44.0947 -260.874 -19.5504 -260.874 80.211 19.3875 -19.5515 19.3871 86.8926 GPRESSURE: 988000 78.9005 -299.719 -90.8432 -206.422 108.57 29.4763 -15.2389 66.2658 107.703 PRESSAVG: 988000 -32.5153 26.6647 20.0233 26.6647 39.9995 24.1111 20.0233 24.111 -23.3767 GPRESSAVG: 988000 -33.1651 28.8255 20.1428 26.3305 40.209 26.8092 18.4399 23.4361 -23.2865 TIMING: 988000 CPU: 2930.76, 0.00297547/step Wall: 2930.76, 0.00297547/step, 3.316 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: 988000 745.1967 2103.1384 1946.8760 126.9251 -205730.9024 17811.4817 0.0000 0.0000 34472.6645 -148524.6201 301.0584 -182997.2845 -148421.8927 300.5619 70.3994 98.3913 558518.0157 -5.2975 -5.4142 PRESSURE: 988200 -71.3514 -103.725 95.8501 -103.727 2.91878 17.3519 95.8504 17.3513 -313.098 GPRESSURE: 988200 -20.4471 -15.4046 50.954 -97.0385 43.0406 36.4366 118.749 -35.4698 -316.269 PRESSAVG: 988200 4.42615 -1.90372 -34.0633 -1.90377 92.1666 -5.05502 -34.0633 -5.05496 -32.0331 GPRESSAVG: 988200 4.20853 -3.40587 -34.8652 -3.5741 92.5006 -7.28618 -33.1424 -2.88451 -31.9482 TIMING: 988200 CPU: 2931.36, 0.002985/step Wall: 2931.36, 0.002985/step, 3.32645 hours remaining, 205.937500 MB of memory in use. ENERGY: 988200 730.4193 2082.1098 1951.9749 105.6527 -205603.0998 17618.2163 0.0000 0.0000 34541.6672 -148573.0596 301.6610 -183114.7268 -148476.3031 300.9870 -127.1770 -97.8918 557704.4824 21.5199 21.5870 LDB: ============= START OF LOAD BALANCING ============== 2934.79 LDB: ============== END OF LOAD BALANCING =============== 2934.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2934.79 LDB: ============= START OF LOAD BALANCING ============== 2935.09 LDB: Largest compute 4848 load 0.030800 is 26.1% of average load 0.117825 LDB: Average compute 0.001743 is 1.5% of average load 0.117825 LDB: TIME 2935.09 LOAD: AVG 0.117825 MAX 0.198855 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 2935.09 LOAD: AVG 0.117825 MAX 0.198855 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: TIME 2935.09 LOAD: AVG 0.117825 MAX 0.198855 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2935.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2935.1 PRESSURE: 988400 33.2399 -60.1836 0.591359 -60.1821 124.339 -210.062 0.593678 -210.064 -163.033 GPRESSURE: 988400 73.1221 -160.83 1.07328 -44.4147 135.521 -186.467 73.9257 -183.541 -122.634 PRESSAVG: 988400 -8.48309 1.16414 17.4286 1.16418 42.5617 -46.1838 17.4286 -46.1836 -41.3539 GPRESSAVG: 988400 -8.65061 1.29954 18.3795 2.1667 43.0225 -44.9872 18.9191 -46.3792 -42.0762 TIMING: 988400 CPU: 2931.97, 0.00303396/step Wall: 2931.97, 0.00303396/step, 3.38084 hours remaining, 204.511719 MB of memory in use. ENERGY: 988400 745.6813 2087.1812 1939.8429 109.0456 -205488.1403 17541.9863 0.0000 0.0000 34469.9321 -148594.4710 301.0345 -183064.4030 -148499.9187 301.0806 -1.8179 28.6695 556438.0041 -2.4251 -2.5681 PRESSURE: 988600 147.11 0.414467 -42.9029 0.41522 -43.972 -111.364 -42.9015 -111.363 -119.771 GPRESSURE: 988600 138.57 -1.8605 -64.9471 59.3673 -43.2325 -190.356 -30.5674 -142.409 -14.0401 PRESSAVG: 988600 -8.487 -20.1203 8.92404 -20.1203 -20.6727 -66.3676 8.92403 -66.3675 49.9817 GPRESSAVG: 988600 -8.45335 -19.3792 7.58268 -19.9845 -21.0689 -66.6926 8.01658 -65.3872 50.9442 TIMING: 988600 CPU: 2932.56, 0.00297148/step Wall: 2932.56, 0.00297148/step, 3.31105 hours remaining, 204.714844 MB of memory in use. ENERGY: 988600 741.6946 2079.8033 1943.0907 112.3449 -205579.4327 17508.7801 0.0000 0.0000 34506.1413 -148687.5778 301.3507 -183193.7190 -148597.4315 301.1033 -5.5442 27.0991 557113.0784 6.9407 7.1407 PRESSURE: 988800 -101.5 79.7166 122.493 79.7165 -15.9129 -121.886 122.493 -121.886 73.0784 GPRESSURE: 988800 -79.1411 5.69828 81.9994 129.958 3.55484 -82.9739 121.273 -104.743 125.256 PRESSAVG: 988800 -49.3401 -42.4987 -18.2234 -42.4987 7.27195 -52.4654 -18.2234 -52.4654 36.365 GPRESSAVG: 988800 -48.8112 -44.6974 -16.3764 -42.675 6.97686 -51.4734 -19.1363 -53.3058 36.0482 TIMING: 988800 CPU: 2933.15, 0.00296395/step Wall: 2933.15, 0.00296395/step, 3.3025 hours remaining, 204.714844 MB of memory in use. ENERGY: 988800 770.6682 2123.7730 1953.1015 108.1995 -205810.2506 17792.9296 0.0000 0.0000 34218.0307 -148843.5481 298.8346 -183061.5788 -148749.6614 300.6979 -14.7783 16.5567 557694.9416 -1.9010 -1.9287 PRESSURE: 989000 12.9978 177.753 -74.6846 177.753 -68.4688 -116.433 -74.6859 -116.433 122.034 GPRESSURE: 989000 25.3206 167.137 -59.2789 122.285 -24.5319 -110.206 -42.2859 -19.3127 152.596 PRESSAVG: 989000 -49.3936 -26.1093 -30.9596 -26.1094 33.5737 17.3533 -30.9596 17.3533 18.9645 GPRESSAVG: 989000 -49.4528 -24.3702 -31.4404 -26.2771 34.2858 16.5476 -30.7996 18.9499 19.0088 TIMING: 989000 CPU: 2933.75, 0.00296106/step Wall: 2933.75, 0.00296106/step, 3.29911 hours remaining, 204.714844 MB of memory in use. ENERGY: 989000 745.2870 2070.5612 1934.3324 108.9470 -205861.0519 17812.9934 0.0000 0.0000 34181.6579 -149007.2731 298.5169 -183188.9309 -148914.6355 299.7600 22.1876 51.1283 558484.8799 1.0482 1.2806 PRESSURE: 989200 -405.006 -19.7508 -19.3215 -19.7508 -135.804 39.7204 -19.3223 39.7216 -136.201 GPRESSURE: 989200 -316.41 -15.1181 71.645 -55.3278 -151.531 -54.8739 -83.3441 98.596 -109.226 PRESSAVG: 989200 13.7324 -7.42411 3.60345 -7.42417 -24.0629 39.4416 3.60347 39.4415 -8.58814 GPRESSAVG: 989200 14.0048 -7.57047 3.72228 -7.41923 -22.8838 39.3417 3.47018 36.03 -9.71102 TIMING: 989200 CPU: 2934.34, 0.00296155/step Wall: 2934.34, 0.00296155/step, 3.2995 hours remaining, 204.714844 MB of memory in use. ENERGY: 989200 725.8803 2091.4457 1934.7363 104.8774 -205838.0105 17440.2491 0.0000 0.0000 34250.4890 -149290.3327 299.1180 -183540.8217 -149195.7679 299.0208 -225.6700 -192.3888 557802.3325 -6.3062 -6.1967 PRESSURE: 989400 -20.6792 -48.5687 12.0327 -48.5684 -95.3248 201.815 12.0323 201.815 -158.95 GPRESSURE: 989400 -31.0088 -6.49383 -100.516 -14.8289 -60.4225 153.963 23.28 281.091 -92.8847 PRESSAVG: 989400 78.0056 -41.771 26.5979 -41.771 -19.8299 18.769 26.5979 18.7692 -51.7217 GPRESSAVG: 989400 78.9263 -41.8572 27.9045 -40.0779 -20.7095 21.0544 26.4274 20.9501 -51.8525 TIMING: 989400 CPU: 2934.93, 0.00296808/step Wall: 2934.93, 0.00296808/step, 3.3066 hours remaining, 204.714844 MB of memory in use. ENERGY: 989400 729.8642 2125.4377 1962.9444 126.2341 -206110.3324 17788.9666 0.0000 0.0000 34174.6361 -149202.2495 298.4556 -183376.8856 -149105.8159 299.5890 -91.6514 -61.4387 559833.7770 2.1513 2.1214 PRESSURE: 989600 -138.848 -105.084 50.1793 -105.085 262.172 30.8425 50.1786 30.8393 192.925 GPRESSURE: 989600 -48.4837 -91.066 85.0112 -104.664 260.497 33.0598 -71.8426 -29.9638 213.171 PRESSAVG: 989600 1.2219 7.84978 11.8423 7.84975 41.3253 47.8289 11.8423 47.8289 -7.29071 GPRESSAVG: 989600 0.903657 7.89807 8.79239 5.19113 41.1568 47.725 13.2048 48.2543 -6.46379 TIMING: 989600 CPU: 2935.52, 0.00295795/step Wall: 2935.52, 0.00295795/step, 3.29515 hours remaining, 204.714844 MB of memory in use. ENERGY: 989600 738.1678 2044.8815 1944.9517 104.9634 -206354.3231 17985.9535 0.0000 0.0000 34420.0867 -149115.3183 300.5992 -183535.4050 -149013.9954 299.4333 105.4163 141.7283 557694.4288 11.7522 11.8656 PRESSURE: 989800 14.5373 -37.6443 40.6533 -37.6441 -96.4477 27.3236 40.6525 27.3242 -128.405 GPRESSURE: 989800 23.1657 -31.9741 21.8767 -35.2223 -38.3159 7.97792 -9.19905 -21.8125 -89.9577 PRESSAVG: 989800 37.3 -25.7156 4.66119 -25.7156 -22.4682 43.0772 4.66122 43.0772 3.52545 GPRESSAVG: 989800 35.8013 -24.5667 6.78182 -25.2043 -21.0532 40.4816 3.25042 43.8643 3.83124 TIMING: 989800 CPU: 2936.12, 0.00297416/step Wall: 2936.12, 0.00297416/step, 3.31305 hours remaining, 204.714844 MB of memory in use. ENERGY: 989800 742.4122 2105.0957 1917.7456 107.1093 -206052.3129 17888.4655 0.0000 0.0000 34334.2347 -148957.2499 299.8494 -183291.4846 -148855.3741 299.5495 -70.1053 -35.0360 560094.3669 6.1191 6.1931 PRESSURE: 990000 91.1526 196.705 169.967 196.704 -54.7528 -69.6949 169.967 -69.6956 87.4813 GPRESSURE: 990000 130.396 164.208 210.798 196.014 -66.1114 -58.2936 100.845 -35.1046 157.361 PRESSAVG: 990000 -5.09391 11.0012 -13.9893 11.0012 -4.97866 -45.8647 -13.9894 -45.8647 1.72576 GPRESSAVG: 990000 -2.64626 9.35943 -14.6668 12.6336 -7.51191 -42.4316 -15.1305 -48.3872 1.73786 TIMING: 990000 CPU: 2936.71, 0.00297667/step Wall: 2936.71, 0.00297667/step, 3.31568 hours remaining, 204.714844 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: 990000 761.1924 2094.3547 1952.9484 113.1070 -206416.5729 18050.7906 0.0000 0.0000 34354.1598 -149090.0200 300.0234 -183444.1798 -148996.9875 299.1953 41.2937 73.8820 557993.0015 -2.7823 -2.8068 PRESSURE: 990200 80.325 87.8275 8.5406 87.8281 -86.4996 32.5541 8.53965 32.5535 -332.878 GPRESSURE: 990200 63.2906 124.606 -63.1523 100.591 -45.683 89.0019 -17.5605 57.8586 -266.7 PRESSAVG: 990200 -78.9857 29.1873 24.0409 29.1875 88.0179 40.1578 24.041 40.1578 -22.0155 GPRESSAVG: 990200 -80.4112 28.886 23.8951 27.3142 89.3987 37.5697 23.9694 41.0579 -22.0985 TIMING: 990200 CPU: 2937.31, 0.00297416/step Wall: 2937.31, 0.00297416/step, 3.31272 hours remaining, 204.714844 MB of memory in use. ENERGY: 990200 766.1571 1999.1562 1941.0017 98.7536 -206312.8169 18007.5846 0.0000 0.0000 34420.2624 -149079.9014 300.6007 -183500.1638 -148980.8644 299.0720 -113.0176 -83.0308 559296.9038 -4.3278 -4.3703 PRESSURE: 990400 94.4638 74.2533 -65.0988 74.2549 228.773 -110.308 -65.0984 -110.307 -77.235 GPRESSURE: 990400 180.313 -13.2257 -49.425 81.2162 228.055 -90.5645 -47.3465 -87.7128 -64.9244 PRESSAVG: 990400 -30.8519 25.3052 39.4822 25.3052 46.0011 11.7959 39.4822 11.796 -11.2872 GPRESSAVG: 990400 -29.1793 25.5532 39.2908 26.978 45.3898 14.3744 39.5836 13.4741 -12.3167 TIMING: 990400 CPU: 2937.9, 0.00295766/step Wall: 2937.9, 0.00295766/step, 3.29418 hours remaining, 204.714844 MB of memory in use. ENERGY: 990400 715.0778 2051.5401 1939.4679 124.7980 -206405.3294 18035.2520 0.0000 0.0000 34218.0260 -149321.1675 298.8345 -183539.1935 -149227.9718 298.9194 82.0007 114.4813 557918.6084 1.2874 1.2979 PRESSURE: 990600 166.11 20.0636 -29.3639 20.0637 95.7871 272.637 -29.3625 272.636 -47.3599 GPRESSURE: 990600 213.206 0.985418 6.24199 42.3846 116.144 298.213 -18.2424 235.652 -13.2262 PRESSAVG: 990600 20.3067 70.7013 -29.1798 70.7013 59.0086 -30.1291 -29.1798 -30.1291 -25.5013 GPRESSAVG: 990600 19.7575 72.8013 -26.195 69.1619 58.8885 -31.6781 -31.8008 -30.1552 -24.5263 TIMING: 990600 CPU: 2938.5, 0.00297089/step Wall: 2938.5, 0.00297089/step, 3.30875 hours remaining, 204.714844 MB of memory in use. ENERGY: 990600 739.9396 2110.6260 1929.3148 109.9911 -206649.8497 18159.2498 0.0000 0.0000 34119.9990 -149480.7294 297.9784 -183600.7284 -149391.0938 298.2506 71.5124 105.3747 558831.9543 17.9380 18.0399 PRESSURE: 990800 -11.9124 99.9228 -83.2878 99.9233 -91.2519 153.346 -83.2879 153.345 -177.31 GPRESSURE: 990800 3.68107 43.0187 -183.456 45.5764 -19.2681 70.6365 -12.8968 124.546 -176.13 PRESSAVG: 990800 -18.777 -46.118 -31.7738 -46.118 -37.818 61.8397 -31.7738 61.8396 2.02148 GPRESSAVG: 990800 -20.7215 -43.075 -35.2691 -46.5082 -37.4037 60.7672 -29.0331 62.3679 3.23177 TIMING: 990800 CPU: 2939.09, 0.00298072/step Wall: 2939.09, 0.00298072/step, 3.31953 hours remaining, 204.714844 MB of memory in use. ENERGY: 990800 752.0579 2042.3561 1951.1599 110.8881 -205907.4363 17616.1819 0.0000 0.0000 33985.3854 -149449.4070 296.8028 -183434.7924 -149351.9683 297.8979 -93.4914 -63.9058 558586.0374 -18.1911 -18.2978 PRESSURE: 991000 226.862 -6.9491 -51.5824 -6.94925 42.5859 -34.9402 -51.5827 -34.9418 -100.74 GPRESSURE: 991000 280.177 -34.6399 -129.404 -2.18887 41.7304 -14.1355 -87.4258 -32.1972 -65.157 PRESSAVG: 991000 -31.4985 27.3395 17.3531 27.3394 11.0946 -0.898536 17.3532 -0.898522 28.2121 GPRESSAVG: 991000 -30.1446 23.1436 17.1704 29.7454 12.0831 1.55457 16.796 -4.02737 26.2479 TIMING: 991000 CPU: 2939.69, 0.00299293/step Wall: 2939.69, 0.00299293/step, 3.33296 hours remaining, 204.714844 MB of memory in use. ENERGY: 991000 714.7912 2095.4384 1935.8074 105.3513 -206430.3906 18033.9328 0.0000 0.0000 34219.9248 -149325.1447 298.8511 -183545.0695 -149231.6029 298.8762 56.2359 85.5836 557520.3885 2.6027 2.7288 PRESSURE: 991200 143.064 -120.301 -82.8822 -120.302 61.0418 -0.803132 -82.8818 -0.803384 -33.7121 GPRESSURE: 991200 91.4374 -79.07 -154.942 -79.9233 118.092 -3.67531 -40.2759 11.4691 64.3813 PRESSAVG: 991200 -32.0229 -63.9462 -10.141 -63.9461 75.4529 1.45367 -10.141 1.45365 -15.1337 GPRESSAVG: 991200 -33.3699 -64.1407 -9.05882 -64.0787 74.6801 1.04227 -10.7012 2.84423 -13.6216 TIMING: 991200 CPU: 2940.29, 0.00298382/step Wall: 2940.29, 0.00298382/step, 3.32265 hours remaining, 204.714844 MB of memory in use. ENERGY: 991200 711.5686 2045.7049 1948.9513 97.5105 -206287.3064 17861.5172 0.0000 0.0000 34194.0351 -149428.0188 298.6250 -183622.0539 -149331.9887 298.8695 56.7979 91.3034 557515.8092 9.4321 9.2295 PRESSURE: 991400 -17.0117 -3.42334 -8.3423 -3.42322 17.744 -163.821 -8.34276 -163.82 -92.254 GPRESSURE: 991400 -31.266 -43.0242 50.4902 0.294665 142.568 -155.386 -75.0731 -147.829 -100.308 PRESSAVG: 991400 -52.4102 -48.4126 -19.225 -48.4126 38.4916 -88.716 -19.2252 -88.716 18.3067 GPRESSAVG: 991400 -52.7056 -48.004 -19.1411 -50.0943 38.9851 -90.4429 -17.9681 -87.6763 17.6104 TIMING: 991400 CPU: 2940.88, 0.0029768/step Wall: 2940.88, 0.0029768/step, 3.31467 hours remaining, 204.714844 MB of memory in use. ENERGY: 991400 772.8826 2038.2111 1926.4132 102.3053 -206444.0405 17893.0142 0.0000 0.0000 34309.6579 -149401.5561 299.6348 -183711.2140 -149302.5397 298.9165 -30.5072 3.6647 556899.2620 1.4627 1.2967 PRESSURE: 991600 -22.487 190.513 -132.327 190.513 -25.3272 18.5146 -132.328 18.515 -92.1803 GPRESSURE: 991600 -61.2575 141.591 -205.497 170.184 47.0902 94.891 -128.755 -29.3674 -41.8196 PRESSAVG: 991600 -49.9739 6.91664 -1.96128 6.9166 61.0638 -45.6963 -1.96125 -45.6964 -31.752 GPRESSAVG: 991600 -48.9839 8.29544 -2.8966 7.34038 59.5871 -45.4613 -3.37336 -45.7466 -31.1367 TIMING: 991600 CPU: 2941.48, 0.00296588/step Wall: 2941.48, 0.00296588/step, 3.30234 hours remaining, 204.714844 MB of memory in use. ENERGY: 991600 759.0566 2058.1581 1962.2645 122.4555 -205955.7530 17620.9124 0.0000 0.0000 33959.8545 -149473.0515 296.5799 -183432.9059 -149381.1706 298.1499 -46.6648 -18.6623 557305.2504 -6.8874 -6.8445 PRESSURE: 991800 -195.384 181.519 6.79012 181.518 -132.015 -52.0601 6.78843 -52.0577 -186.009 GPRESSURE: 991800 -198.906 119.767 17.994 204.255 -67.1569 -43.6792 -24.5953 -127.927 -158.364 PRESSAVG: 991800 -34.9536 35.7737 -11.7523 35.7737 72.3782 22.3698 -11.7523 22.3699 19.6376 GPRESSAVG: 991800 -35.7537 34.6341 -12.6036 36.1252 73.4528 21.7431 -8.81943 22.4761 19.3368 TIMING: 991800 CPU: 2942.07, 0.00297077/step Wall: 2942.07, 0.00297077/step, 3.30762 hours remaining, 204.714844 MB of memory in use. ENERGY: 991800 749.9114 2068.4741 1922.4667 103.0859 -206275.7711 17682.8249 0.0000 0.0000 34105.6783 -149643.3299 297.8534 -183749.0081 -149550.6571 298.0101 -171.1362 -141.4754 557520.3773 19.0208 19.0120 PRESSURE: 992000 161.503 53.2419 -45.0889 53.2411 347.571 -56.4735 -45.0886 -56.4747 153.229 GPRESSURE: 992000 228.516 96.1825 -132.245 85.2344 304.81 -0.940367 19.3517 -69.0511 233.151 PRESSAVG: 992000 61.764 14.1175 -4.83074 14.1176 2.17921 9.20721 -4.83073 9.20709 -56.0946 GPRESSAVG: 992000 61.5079 13.3725 -3.60982 15.3212 1.95287 10.027 -6.33974 8.26694 -55.0901 TIMING: 992000 CPU: 2942.66, 0.00296598/step Wall: 2942.66, 0.00296598/step, 3.30213 hours remaining, 204.714844 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: 992000 700.6880 2067.0298 1924.3896 104.3624 -206662.0331 18165.3523 0.0000 0.0000 34314.1798 -149386.0312 299.6743 -183700.2110 -149288.8016 298.2885 220.7680 255.4922 557319.3898 2.6162 2.7902 PRESSURE: 992200 49.2531 139.136 -30.9276 139.137 108.694 54.3443 -30.9275 54.3454 -63.2672 GPRESSURE: 992200 54.0042 144.08 -3.27855 30.4195 158.959 75.2206 -75.3306 55.9964 -23.3381 PRESSAVG: 992200 26.0948 -16.721 11.6766 -16.7211 70.0306 57.7341 11.6765 57.7342 -80.433 GPRESSAVG: 992200 25.8059 -17.2257 11.3186 -16.9379 70.836 55.4512 9.00958 58.4941 -80.848 TIMING: 992200 CPU: 2943.26, 0.00296364/step Wall: 2943.26, 0.00296364/step, 3.29936 hours remaining, 204.714844 MB of memory in use. ENERGY: 992200 744.6825 2058.8003 1965.3041 106.9882 -206653.5652 18095.0723 0.0000 0.0000 34290.1153 -149392.6025 299.4641 -183682.7179 -149295.9816 298.3111 31.5600 63.2084 558318.7834 5.2308 5.2646 LDB: ============= START OF LOAD BALANCING ============== 2946.68 LDB: ============== END OF LOAD BALANCING =============== 2946.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2946.68 LDB: ============= START OF LOAD BALANCING ============== 2946.98 LDB: Largest compute 4848 load 0.030047 is 25.5% of average load 0.117818 LDB: Average compute 0.001737 is 1.5% of average load 0.117818 LDB: TIME 2946.98 LOAD: AVG 0.117818 MAX 0.194841 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.02 MB LDB: TIME 2946.98 LOAD: AVG 0.117818 MAX 0.194841 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: TIME 2946.98 LOAD: AVG 0.117818 MAX 0.194841 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.223 MB LDB: ============== END OF LOAD BALANCING =============== 2946.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2946.99 PRESSURE: 992400 38.0333 -81.4274 -134.06 -81.4281 33.6475 57.7887 -134.061 57.7892 68.847 GPRESSURE: 992400 82.8109 -70.4811 -151.017 -96.5233 16.0258 86.9418 -121.915 130.207 133.509 PRESSAVG: 992400 -10.6655 -67.5875 -9.21933 -67.5874 40.5459 38.9439 -9.2194 38.9439 -13.7535 GPRESSAVG: 992400 -8.98158 -66.5875 -9.16816 -69.6893 40.3024 40.2536 -6.92801 39.7451 -15.2079 TIMING: 992400 CPU: 2943.86, 0.0030072/step Wall: 2943.86, 0.0030072/step, 3.34768 hours remaining, 205.226562 MB of memory in use. ENERGY: 992400 763.2820 2043.7354 1945.6470 116.1845 -206192.4174 17809.0332 0.0000 0.0000 34149.4064 -149365.1289 298.2353 -183514.5353 -149262.3031 298.7253 46.8426 77.4486 556990.9862 5.3756 5.3709 PRESSURE: 992600 169.432 -140.992 81.3171 -140.991 262.761 71.7705 81.3162 71.7712 265.414 GPRESSURE: 992600 206.941 -142.417 167.14 -121.789 245.963 88.0018 136.613 41.3972 334.638 PRESSAVG: 992600 24.3936 80.0426 -35.2171 80.0427 -50.5073 1.49177 -35.2171 1.49176 29.4128 GPRESSAVG: 992600 23.6195 79.0872 -35.1691 80.8947 -50.6726 4.10922 -36.5632 -0.583589 30.1218 TIMING: 992600 CPU: 2944.45, 0.00294944/step Wall: 2944.45, 0.00294944/step, 3.28322 hours remaining, 205.226562 MB of memory in use. ENERGY: 992600 724.7959 2120.8253 1945.3034 118.5845 -206489.5087 18154.4715 0.0000 0.0000 34255.8526 -149169.6753 299.1649 -183425.5280 -149065.7248 299.0469 232.5355 262.5141 558080.8507 1.0997 1.0229 PRESSURE: 992800 13.6343 -61.8344 -165.947 -61.8346 96.883 -27.2235 -165.947 -27.2236 -5.55042 GPRESSURE: 992800 41.9424 -32.1241 -144.62 -26.5092 174.681 -64.5428 -124.985 32.2097 -12.8865 PRESSAVG: 992800 -33.0171 2.68253 5.23136 2.68257 -70.3487 -6.17974 5.23139 -6.17979 80.1657 GPRESSAVG: 992800 -33.0217 2.87611 7.77209 2.43358 -69.71 -7.15209 7.60446 -4.94198 79.4463 TIMING: 992800 CPU: 2945.04, 0.00297399/step Wall: 2945.04, 0.00297399/step, 3.31039 hours remaining, 205.226562 MB of memory in use. ENERGY: 992800 778.0663 2061.0692 1974.8856 114.9905 -206537.8172 18020.4247 0.0000 0.0000 34330.1020 -149258.2790 299.8133 -183588.3810 -149162.0648 299.0023 34.9890 67.9124 556691.1397 -7.7334 -7.7618 PRESSURE: 993000 -118.718 -71.8656 25.7764 -71.8665 -283.927 -35.6136 25.7751 -35.6145 -116.921 GPRESSURE: 993000 -77.5647 -53.3458 -12.5517 -84.9834 -235.301 -44.5105 50.893 -41.5798 -126.321 PRESSAVG: 993000 14.3702 -5.04711 -34.684 -5.04714 3.07816 19.596 -34.684 19.5961 -9.08911 GPRESSAVG: 993000 13.3171 -7.0157 -39.5828 -3.29913 2.95247 19.3048 -34.7459 19.004 -8.78118 TIMING: 993000 CPU: 2945.64, 0.00297383/step Wall: 2945.64, 0.00297383/step, 3.31004 hours remaining, 205.226562 MB of memory in use. ENERGY: 993000 793.5635 2031.2689 1970.4032 122.0503 -205902.3682 17506.2167 0.0000 0.0000 34238.0099 -149240.8556 299.0091 -183478.8655 -149140.9024 298.6269 -173.1887 -146.3957 556401.3139 2.7864 2.4961 PRESSURE: 993200 -48.5394 130.964 58.5384 130.963 69.8841 87.2445 58.5384 87.2439 -105.006 GPRESSURE: 993200 5.94029 114.685 56.4441 135.509 133.872 141.145 83.6691 86.4903 -136.932 PRESSAVG: 993200 16.1982 12.2463 -3.36889 12.2462 38.3253 -29.8261 -3.36889 -29.826 -88.7742 GPRESSAVG: 993200 17.8435 13.262 -0.971894 8.97577 36.7726 -27.9207 -4.47122 -31.4453 -88.8655 TIMING: 993200 CPU: 2946.23, 0.00297529/step Wall: 2946.23, 0.00297529/step, 3.3115 hours remaining, 205.226562 MB of memory in use. ENERGY: 993200 769.0629 2099.6122 1948.9739 113.6198 -205872.8657 17747.5924 0.0000 0.0000 34065.4294 -149128.5751 297.5019 -183194.0045 -149034.3980 298.4430 -27.8870 0.9600 556457.3891 -11.4169 -11.4165 PRESSURE: 993400 -222.908 -18.7912 57.7622 -18.7914 230.808 93.1716 57.7614 93.1724 -164.717 GPRESSURE: 993400 -183.716 -48.526 37.5048 10.218 233.393 7.17286 30.5364 54.7 -106.036 PRESSAVG: 993400 -44.0939 70.2943 -67.8243 70.2944 31.638 -24.3816 -67.8243 -24.3817 6.41335 GPRESSAVG: 993400 -44.465 71.0794 -68.7767 72.7883 33.112 -27.4269 -65.8135 -23.0435 5.57913 TIMING: 993400 CPU: 2946.83, 0.00297245/step Wall: 2946.83, 0.00297245/step, 3.30817 hours remaining, 205.226562 MB of memory in use. ENERGY: 993400 767.3415 2115.6599 1915.5394 115.7504 -206189.9510 17766.5072 0.0000 0.0000 34331.3647 -149177.7879 299.8243 -183509.1526 -149076.7686 299.5051 -52.2722 -18.7864 557024.4080 -2.0142 -1.9246 PRESSURE: 993600 86.4615 120.157 30.1572 120.156 -5.32883 17.3157 30.1576 17.3158 172.071 GPRESSURE: 993600 112.5 162.331 -26.7491 68.2308 59.5737 73.2386 30.8719 -75.9873 185.817 PRESSAVG: 993600 -38.2011 3.62594 27.5624 3.62595 40.8591 42.8817 27.5624 42.8817 -0.994693 GPRESSAVG: 993600 -39.9868 4.57284 29.5205 1.91193 40.2883 43.0982 25.7216 41.4893 0.815028 TIMING: 993600 CPU: 2947.42, 0.00297374/step Wall: 2947.42, 0.00297374/step, 3.30944 hours remaining, 205.226562 MB of memory in use. ENERGY: 993600 718.5530 2113.0377 1951.2072 115.4496 -206419.1570 17971.4267 0.0000 0.0000 34366.5707 -149182.9121 300.1318 -183549.4827 -149084.2994 299.8308 84.4012 119.2970 555980.5819 0.5544 0.3722 PRESSURE: 993800 -67.4789 -164.548 45.7632 -164.548 110.201 -36.8243 45.7624 -36.8236 301.557 GPRESSURE: 993800 -45.5023 -151.972 28.7765 -140.754 135.401 -23.7689 77.1968 31.613 337.233 PRESSAVG: 993800 -0.283313 21.3875 21.9338 21.3876 34.0573 -16.8518 21.9338 -16.8518 -29.0871 GPRESSAVG: 993800 0.722041 18.9149 19.5932 23.0123 33.3719 -16.0876 23.6269 -15.2542 -29.8326 TIMING: 993800 CPU: 2948.02, 0.00299663/step Wall: 2948.02, 0.00299663/step, 3.33475 hours remaining, 205.226562 MB of memory in use. ENERGY: 993800 734.9426 2080.1116 1954.2372 110.0890 -206263.6972 17826.2006 0.0000 0.0000 34396.1347 -149161.9815 300.3900 -183558.1161 -149065.9979 299.8378 114.7597 142.3772 556826.6494 1.5623 1.4205 PRESSURE: 994000 -122.799 -31.1529 -10.7933 -31.1525 -125.965 -177.45 -10.7929 -177.448 -307.601 GPRESSURE: 994000 -91.6028 -7.13515 112.69 21.3133 -84.3493 -70.5535 -38.55 -234.567 -277.218 PRESSAVG: 994000 -19.2182 -9.98713 7.89617 -9.98721 24.5466 -15.2461 7.89621 -15.2462 -6.24425 GPRESSAVG: 994000 -18.7313 -8.85739 9.16825 -10.348 25.084 -15.0663 6.06999 -16.4835 -6.61977 TIMING: 994000 CPU: 2948.61, 0.00297413/step Wall: 2948.61, 0.00297413/step, 3.30954 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: 994000 746.7497 2101.1242 1962.0983 100.1704 -205949.3074 17534.7661 0.0000 0.0000 34440.8935 -149063.5052 300.7809 -183504.3987 -148960.2280 299.6827 -185.4547 -151.0568 557725.9601 -0.3053 -0.0890 PRESSURE: 994200 30.4355 180.681 -154.641 180.681 70.9503 -73.4134 -154.643 -73.4137 0.160096 GPRESSURE: 994200 28.1386 211.078 -140.685 138.757 138.607 -52.5069 -169.848 -161.922 22.6941 PRESSAVG: 994200 -0.463018 -34.586 13.5988 -34.586 -28.4635 -51.4505 13.5988 -51.4505 0.733188 GPRESSAVG: 994200 -1.78212 -33.6167 14.2325 -35.1386 -27.2445 -52.0988 12.9581 -53.0664 1.18488 TIMING: 994200 CPU: 2949.21, 0.0029564/step Wall: 2949.21, 0.0029564/step, 3.28965 hours remaining, 205.226562 MB of memory in use. ENERGY: 994200 723.0005 2088.9970 1956.4218 113.0456 -206191.2026 17998.7153 0.0000 0.0000 34278.3541 -149032.6683 299.3614 -183311.0224 -148941.6102 299.9632 33.8486 63.1465 559589.4131 -9.3978 -9.2806 PRESSURE: 994400 -294 -89.1095 45.0134 -89.1096 -67.4607 12.0152 45.0133 12.0165 -126.935 GPRESSURE: 994400 -293.595 -25.4799 84.5955 -126.992 -28.4769 53.3299 58.8697 -21.822 -73.443 PRESSAVG: 994400 42.1306 -47.2884 -48.4995 -47.2884 -17.3711 -23.8684 -48.4996 -23.8686 7.83606 GPRESSAVG: 994400 42.671 -50.9061 -47.225 -46.1951 -18.4718 -26.0431 -49.1079 -22.546 8.1202 TIMING: 994400 CPU: 2949.8, 0.00296371/step Wall: 2949.8, 0.00296371/step, 3.29762 hours remaining, 205.226562 MB of memory in use. ENERGY: 994400 772.0184 2057.2291 1942.7675 108.5118 -206146.5609 17921.3905 0.0000 0.0000 34250.7233 -149093.9203 299.1201 -183344.6436 -148995.9668 299.1192 -162.7986 -131.8383 561301.0156 10.8652 10.7731 PRESSURE: 994600 -306.649 6.14614 -194.581 6.14671 -207.814 158.131 -194.579 158.131 -107.638 GPRESSURE: 994600 -254.132 -106.446 -168.484 60.122 -187.922 191.736 -182.281 123.735 -80.8612 PRESSAVG: 994600 -15.0612 -7.72706 -83.6081 -7.72701 -15.6165 56.3991 -83.6082 56.3991 -10.6945 GPRESSAVG: 994600 -14.5292 -3.84276 -84.2946 -7.88757 -15.3708 57.7452 -82.7181 57.4954 -11.3026 TIMING: 994600 CPU: 2950.39, 0.0029621/step Wall: 2950.39, 0.0029621/step, 3.29567 hours remaining, 205.226562 MB of memory in use. ENERGY: 994600 779.5041 2108.2961 1932.1979 113.8602 -205896.4649 17589.1598 0.0000 0.0000 34211.6178 -149161.8292 298.7786 -183373.4469 -149066.7736 298.9793 -207.3668 -174.3051 560101.6711 -13.7907 -13.7342 PRESSURE: 994800 -38.2474 -171.88 92.3696 -171.88 239.446 195.329 92.37 195.33 -226.58 GPRESSURE: 994800 9.41078 -225.69 118.385 -97.5952 268.771 219.645 102.621 189.235 -212.107 PRESSAVG: 994800 7.03165 -39.5389 -26.9497 -39.539 44.3822 38.6696 -26.9496 38.6694 -18.0632 GPRESSAVG: 994800 6.73002 -41.3383 -28.3669 -41.0399 44.1231 38.7039 -28.3011 38.1089 -17.1277 TIMING: 994800 CPU: 2950.99, 0.00297206/step Wall: 2950.99, 0.00297206/step, 3.30658 hours remaining, 205.226562 MB of memory in use. ENERGY: 994800 756.4279 2048.9135 1945.5896 105.9209 -206005.5637 17855.1562 0.0000 0.0000 34227.6314 -149065.9244 298.9184 -183293.5558 -148969.3827 298.5274 -8.4607 22.0251 558728.8514 11.1169 11.2418 PRESSURE: 995000 -67.2202 48.9478 164.506 48.9483 -198.412 127.621 164.507 127.62 129.733 GPRESSURE: 995000 -35.2118 -6.35468 115.5 112.097 -118.79 82.9569 250.264 133.657 120.785 PRESSAVG: 995000 -43.6526 -27.0434 6.78751 -27.0435 26.3257 48.8181 6.78749 48.818 -8.4989 GPRESSAVG: 995000 -42.9865 -25.0116 7.90717 -26.7239 26.1125 48.8853 9.45445 48.339 -9.05734 TIMING: 995000 CPU: 2951.58, 0.00296502/step Wall: 2951.58, 0.00296502/step, 3.29858 hours remaining, 205.226562 MB of memory in use. ENERGY: 995000 752.5048 2081.0801 1938.4816 103.0853 -205898.3136 17787.0918 0.0000 0.0000 34191.7650 -149044.3050 298.6052 -183236.0700 -148955.2165 299.6821 -45.2997 -11.0722 559159.6563 -8.6086 -8.6438 PRESSURE: 995200 18.8759 -96.5089 97.9477 -96.5089 -116.618 -16.2631 97.9469 -16.2633 197.268 GPRESSURE: 995200 -62.6505 -31.993 92.1383 -56.8538 -27.3725 4.37693 82.1574 -4.43899 291.069 PRESSAVG: 995200 -18.7451 9.48765 63.5583 9.48765 4.24977 4.46802 63.5584 4.46804 20.9716 GPRESSAVG: 995200 -19.3112 9.31096 61.4934 9.68559 5.31821 7.02979 62.372 4.58718 20.6294 TIMING: 995200 CPU: 2952.17, 0.00296377/step Wall: 2952.17, 0.00296377/step, 3.29703 hours remaining, 205.226562 MB of memory in use. ENERGY: 995200 738.0377 2101.2734 1935.5673 112.6199 -206478.1791 17927.0867 0.0000 0.0000 34572.0994 -149091.4947 301.9267 -183663.5941 -148999.5418 299.3579 33.1754 67.0154 557151.5315 2.1587 2.2122 PRESSURE: 995400 87.5492 -123.609 136.951 -123.609 -115.883 83.9687 136.952 83.9692 -76.267 GPRESSURE: 995400 70.3005 -128.748 166.784 -104.384 -43.2767 59.0255 95.3459 53.8469 -48.0501 PRESSAVG: 995400 -73.3762 -21.1804 10.1039 -21.1804 -13.0417 29.3243 10.1039 29.3242 35.0337 GPRESSAVG: 995400 -73.6213 -21.3164 12.3859 -18.2839 -13.1772 26.8589 8.10528 30.3594 35.5381 TIMING: 995400 CPU: 2952.76, 0.00296537/step Wall: 2952.76, 0.00296537/step, 3.29864 hours remaining, 205.226562 MB of memory in use. ENERGY: 995400 728.6283 2136.9430 1924.7645 100.0107 -206122.8592 17890.0768 0.0000 0.0000 34240.0680 -149102.3678 299.0270 -183342.4358 -149002.4395 299.8556 -34.8669 -7.0088 559326.7236 -17.1280 -17.0868 PRESSURE: 995600 4.86423 5.99342 -60.663 5.99514 79.1829 20.809 -60.6636 20.8105 -67.9245 GPRESSURE: 995600 58.2115 -10.6768 -123.595 17.8929 108.57 -7.03097 51.4151 10.0132 -53.856 PRESSAVG: 995600 38.4308 -14.9337 -11.9338 -14.9337 -27.9734 -27.3708 -11.9338 -27.3707 0.959317 GPRESSAVG: 995600 38.2348 -14.9574 -14.3508 -18.0475 -28.205 -27.823 -9.23513 -26.9485 1.66625 TIMING: 995600 CPU: 2953.36, 0.00297898/step Wall: 2953.36, 0.00297898/step, 3.31362 hours remaining, 205.226562 MB of memory in use. ENERGY: 995600 734.1890 2153.2832 1929.9987 110.2370 -205883.9299 17838.8756 0.0000 0.0000 34089.5836 -149027.7628 297.7128 -183117.3464 -148941.8834 298.8387 5.3742 37.6420 558585.7591 3.8056 3.8987 PRESSURE: 995800 -55.1591 -58.6931 21.3089 -58.6942 91.9196 52.2132 21.3078 52.2122 82.284 GPRESSURE: 995800 -11.0987 -62.7725 88.6839 -5.65678 105.519 18.6232 15.1419 -8.23661 118.664 PRESSAVG: 995800 4.42553 -1.95981 11.2457 -1.95989 -26.0303 -19.0228 11.2458 -19.0227 24.9876 GPRESSAVG: 995800 4.1679 -4.02967 13.352 -1.95304 -25.8208 -18.3941 10.6168 -19.2665 25.2786 TIMING: 995800 CPU: 2953.95, 0.00296489/step Wall: 2953.95, 0.00296489/step, 3.29778 hours remaining, 205.226562 MB of memory in use. ENERGY: 995800 765.3638 2087.4694 1943.9390 113.0401 -206089.6883 17669.0194 0.0000 0.0000 34460.9673 -149049.8893 300.9562 -183510.8566 -148950.6324 299.2480 39.6815 71.0283 557467.7768 1.1276 1.2086 PRESSURE: 996000 140.967 81.9988 0.631019 81.9981 -162.951 -100.634 0.630791 -100.632 -188.494 GPRESSURE: 996000 182.477 33.3684 51.3226 106.547 -169.277 -61.8368 -42.5576 -87.1087 -122.074 PRESSAVG: 996000 34.1268 -71.9335 5.51684 -71.9335 34.0966 -35.996 5.51684 -35.996 -96.9393 GPRESSAVG: 996000 35.5676 -69.2063 5.22338 -70.615 33.4219 -35.494 5.82469 -36.3281 -97.4257 TIMING: 996000 CPU: 2954.55, 0.0029757/step Wall: 2954.55, 0.0029757/step, 3.30964 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: 996000 783.9288 2078.7289 1911.1779 126.9739 -206094.3961 17747.1152 0.0000 0.0000 34355.6775 -149090.7939 300.0367 -183446.4714 -148996.3972 299.8543 -70.1595 -36.2912 555942.8426 -9.5720 -9.4787 PRESSURE: 996200 -101.15 103.448 76.3716 103.447 -70.4001 -90.3508 76.3709 -90.3494 -147.539 GPRESSURE: 996200 -50.6432 5.80156 113.029 108.499 -53.1206 -69.5677 33.2614 -56.0573 -124.969 PRESSAVG: 996200 40.2485 4.70657 8.99851 4.70658 -49.372 -73.1199 8.99861 -73.12 45.3582 GPRESSAVG: 996200 40.3452 2.79201 9.25355 5.93889 -49.8575 -75.0038 9.2256 -70.7599 45.2833 TIMING: 996200 CPU: 2955.14, 0.00295269/step Wall: 2955.14, 0.00295269/step, 3.28388 hours remaining, 205.226562 MB of memory in use. ENERGY: 996200 739.4889 2102.6326 1911.4347 98.9494 -206037.7780 17762.3350 0.0000 0.0000 34389.9933 -149032.9441 300.3364 -183422.9374 -148934.3788 300.1919 -106.3630 -76.2443 558334.4259 12.0782 11.9236 LDB: ============= START OF LOAD BALANCING ============== 2958.57 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 2958.57 LDB: =============== DONE WITH MIGRATION ================ 2958.57 LDB: ============= START OF LOAD BALANCING ============== 2958.87 LDB: Largest compute 4848 load 0.030975 is 26.3% of average load 0.117844 LDB: Average compute 0.001739 is 1.5% of average load 0.117844 LDB: TIME 2958.87 LOAD: AVG 0.117844 MAX 0.200515 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.227 MB LDB: TIME 2958.87 LOAD: AVG 0.117844 MAX 0.200515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.227 MB LDB: TIME 2958.87 LOAD: AVG 0.117844 MAX 0.200515 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 2958.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2958.88 PRESSURE: 996400 -53.3387 -116.43 -22.6592 -116.43 183.516 27.0907 -22.6588 27.089 -26.737 GPRESSURE: 996400 -12.2848 -138.22 -52.2515 -76.9853 217.48 -64.292 -4.64359 110.454 1.73857 PRESSAVG: 996400 14.7789 -5.95486 49.1734 -5.95482 -37.5362 4.87998 49.1734 4.88002 34.3012 GPRESSAVG: 996400 14.434 -5.7144 46.192 -7.27059 -36.5543 4.66402 50.5859 3.93723 33.9307 TIMING: 996400 CPU: 2955.75, 0.00304834/step Wall: 2955.75, 0.00304834/step, 3.3901 hours remaining, 206.449219 MB of memory in use. ENERGY: 996400 738.9641 2047.4754 1913.8688 112.8199 -206574.8293 17993.5901 0.0000 0.0000 34505.2476 -149262.8634 301.3429 -183768.1110 -149159.0674 299.6008 34.4802 68.9780 557670.7644 3.8480 3.9368 PRESSURE: 996600 298.478 -97.7035 37.7435 -97.7038 -35.5096 -82.2004 37.7432 -82.2005 -88.4111 GPRESSURE: 996600 296.313 -133.929 43.0112 -132.844 28.042 -110.133 35.6799 -63.0763 -57.2917 PRESSAVG: 996600 39.9895 -31.3966 -13.4849 -31.3965 -15.7096 48.7387 -13.485 48.7388 -13.0907 GPRESSAVG: 996600 39.1823 -32.4027 -10.6586 -31.2642 -15.6583 49.096 -16.4766 47.1316 -12.5715 TIMING: 996600 CPU: 2956.34, 0.00296706/step Wall: 2956.34, 0.00296706/step, 3.29954 hours remaining, 206.652344 MB of memory in use. ENERGY: 996600 728.7796 2085.3186 1944.2618 103.9442 -206173.6264 17920.4021 0.0000 0.0000 34243.9195 -149147.0006 299.0607 -183390.9201 -149049.2237 299.7491 58.1858 89.0211 559296.0164 3.7297 3.6508 PRESSURE: 996800 287.813 197.732 -118.204 197.733 -171.386 161.401 -118.203 161.4 64.5869 GPRESSURE: 996800 296.743 237.106 -97.4547 144.836 -97.0312 150.498 -160.724 87.0499 78.6477 PRESSAVG: 996800 33.4494 -18.0441 -49.0404 -18.0441 31.6128 -31.8701 -49.0404 -31.8701 -32.7669 GPRESSAVG: 996800 33.027 -16.5517 -47.4048 -18.0865 32.6285 -30.3172 -48.1157 -33.631 -33.1601 TIMING: 996800 CPU: 2956.93, 0.00295347/step Wall: 2956.93, 0.00295347/step, 3.28426 hours remaining, 206.652344 MB of memory in use. ENERGY: 996800 732.8697 2090.5969 1924.6420 121.4447 -206175.9184 17957.7080 0.0000 0.0000 34173.1813 -149175.4759 298.4429 -183348.6572 -149079.6891 298.7634 60.3381 92.7866 558706.9584 10.7651 10.8318 PRESSURE: 997000 -13.1951 14.1095 -61.9136 14.1099 -182.106 101.627 -61.9146 101.628 38.0131 GPRESSURE: 997000 19.4666 15.8335 -10.5677 93.8905 -125.219 93.0668 -80.9468 144.195 38.5617 PRESSAVG: 997000 13.4442 -2.19281 -5.06231 -2.19281 -0.881581 9.95699 -5.06215 9.95701 12.352 GPRESSAVG: 997000 12.8019 0.484692 -6.36151 -2.89471 -1.54232 8.34744 -4.55284 12.785 13.4997 TIMING: 997000 CPU: 2957.52, 0.00294733/step Wall: 2957.52, 0.00294732/step, 3.27726 hours remaining, 206.652344 MB of memory in use. ENERGY: 997000 766.7051 2119.8363 1947.6200 103.9849 -206084.8261 17780.7831 0.0000 0.0000 34023.8510 -149342.0457 297.1388 -183365.8967 -149246.9874 298.8298 -52.4293 -22.3969 559342.0084 8.3049 8.2531 PRESSURE: 997200 -22.7286 197.723 -29.2643 197.723 -145.118 152.918 -29.2641 152.918 -56.0186 GPRESSURE: 997200 79.4886 101.04 26.195 192.944 -135.985 184.973 -147.013 228.309 -50.7075 PRESSAVG: 997200 26.1053 15.4274 -44.6776 15.4274 -18.4281 29.5238 -44.6776 29.5238 -27.3883 GPRESSAVG: 997200 26.947 12.0716 -43.4986 17.6396 -18.7868 31.1885 -46.2612 28.6081 -27.2782 TIMING: 997200 CPU: 2958.12, 0.00297284/step Wall: 2958.12, 0.00297284/step, 3.30547 hours remaining, 206.652344 MB of memory in use. ENERGY: 997200 760.2086 2066.1009 1947.7869 120.9674 -206263.6799 17942.8825 0.0000 0.0000 34065.7350 -149359.9986 297.5045 -183425.7336 -149267.0909 299.3856 -74.6218 -35.7345 558148.6206 -6.5704 -6.3727 PRESSURE: 997400 -162.918 58.0402 -45.6235 58.0408 -107.314 28.1719 -45.6246 28.1724 -61.609 GPRESSURE: 997400 -104.375 32.5733 -21.6647 104.249 -71.5549 10.2084 -72.3798 8.86981 -56.0575 PRESSAVG: 997400 49.746 -18.7327 26.1794 -18.7326 -0.590271 17.0942 26.1794 17.0941 -29.457 GPRESSAVG: 997400 49.5691 -16.7265 23.8933 -19.8293 -0.831429 16.5166 28.1796 17.8066 -28.9543 TIMING: 997400 CPU: 2958.71, 0.00295606/step Wall: 2958.71, 0.00295606/step, 3.28665 hours remaining, 206.652344 MB of memory in use. ENERGY: 997400 776.4375 2049.8666 1940.2979 114.5477 -205864.0830 17753.6824 0.0000 0.0000 34077.0262 -149152.2247 297.6031 -183229.2509 -149052.1596 299.1061 -110.6136 -77.3291 558624.4617 6.5663 6.5944 PRESSURE: 997600 -176.433 44.0145 142.426 44.0125 -212.899 -25.3992 142.426 -25.3987 -126.564 GPRESSURE: 997600 -151.359 67.5817 241.29 70.5278 -145.787 -13.7774 117.487 -12.9208 -130.45 PRESSAVG: 997600 -41.9139 -11.6626 56.7591 -11.6625 -31.4879 29.2848 56.759 29.2846 31.3169 GPRESSAVG: 997600 -40.8572 -12.8827 57.8709 -10.6712 -31.4961 27.8474 55.7135 28.9564 30.2619 TIMING: 997600 CPU: 2959.3, 0.00296511/step Wall: 2959.3, 0.00296511/step, 3.29655 hours remaining, 206.652344 MB of memory in use. ENERGY: 997600 791.7379 2086.6059 1955.9339 109.9380 -206047.6225 17671.4431 0.0000 0.0000 34410.8807 -149021.0829 300.5188 -183431.9636 -148925.3393 300.2267 -171.9653 -142.5321 558558.5514 -14.0283 -14.0305 PRESSURE: 997800 184.695 122.508 20.3788 122.509 144.447 84.3727 20.3804 84.3724 133.982 GPRESSURE: 997800 187.817 124.401 114.169 159.041 180.104 27.9726 -1.72328 52.0319 186.75 PRESSAVG: 997800 24.9754 -2.26476 17.8797 -2.26472 -23.1189 -32.5307 17.8797 -32.5306 8.15587 GPRESSAVG: 997800 24.1927 -0.402172 17.8917 -5.18822 -23.2544 -30.9865 19.6783 -32.2492 9.19261 TIMING: 997800 CPU: 2959.89, 0.00295886/step Wall: 2959.89, 0.00295886/step, 3.28943 hours remaining, 206.652344 MB of memory in use. ENERGY: 997800 755.1216 2140.3447 1964.4599 106.4936 -206326.3078 18062.1534 0.0000 0.0000 34320.4522 -148977.2824 299.7290 -183297.7346 -148877.2200 300.1281 154.3744 184.8906 557531.4552 3.3374 3.3769 PRESSURE: 998000 122.265 44.004 7.5561 44.0038 132.172 85.1979 7.55603 85.1983 -99.8679 GPRESSURE: 998000 143.299 8.55885 -35.8419 90.9338 148.893 31.0542 80.8651 53.9434 -40.7678 PRESSAVG: 998000 -8.99329 4.40676 38.9979 4.40682 -4.18661 7.16961 38.9979 7.16963 4.70912 GPRESSAVG: 998000 -9.73656 2.31261 37.7719 7.29597 -3.05065 5.09392 38.3969 7.0406 4.24045 TIMING: 998000 CPU: 2960.49, 0.00297267/step Wall: 2960.49, 0.00297267/step, 3.30462 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: 998000 735.1558 2076.6491 1952.6740 110.0365 -206115.4314 17846.6712 0.0000 0.0000 34320.7217 -149073.5232 299.7314 -183394.2449 -148979.8935 299.7542 51.5232 83.8083 557857.1434 -2.8236 -2.8489 PRESSURE: 998200 -9.28748 160.422 -54.2508 160.422 -71.0511 -30.7962 -54.2523 -30.7963 86.3708 GPRESSURE: 998200 -1.83579 83.9392 -20.4705 78.9877 17.3196 -68.2331 -86.1643 4.96788 99.4681 PRESSAVG: 998200 -34.7132 18.9725 10.2771 18.9725 19.7933 15.5732 10.2771 15.5733 42.9274 GPRESSAVG: 998200 -33.2359 20.1756 11.4595 17.5872 17.4724 16.9298 12.6712 15.973 43.9516 TIMING: 998200 CPU: 2961.08, 0.00297291/step Wall: 2961.08, 0.00297291/step, 3.30471 hours remaining, 206.652344 MB of memory in use. ENERGY: 998200 713.4274 2146.6398 1967.6204 121.5727 -206113.4954 17907.0241 0.0000 0.0000 34159.3376 -149097.8734 298.3220 -183257.2111 -149003.0142 299.4357 2.0107 38.3173 558778.3195 9.3358 9.3961 PRESSURE: 998400 -32.9613 -45.7601 -103.826 -45.7592 39.3266 -59.428 -103.827 -59.4286 200.543 GPRESSURE: 998400 27.8653 -0.542367 -22.4219 -110.455 84.4578 -102.835 -92.694 -83.2568 183.531 PRESSAVG: 998400 38.6251 75.3413 37.3989 75.3412 -28.2057 22.676 37.399 22.6763 -16.6081 GPRESSAVG: 998400 38.2819 74.1127 38.2656 75.575 -26.1788 21.9848 34.9203 22.7886 -18.0348 TIMING: 998400 CPU: 2961.67, 0.00294239/step Wall: 2961.67, 0.00294239/step, 3.27063 hours remaining, 206.652344 MB of memory in use. ENERGY: 998400 718.2831 2128.6330 1937.2593 111.9641 -206201.2820 18003.6417 0.0000 0.0000 34120.3263 -149181.1746 297.9813 -183301.5009 -149090.3051 299.1134 68.9693 98.6179 560047.2206 -2.0629 -1.9772 PRESSURE: 998600 -95.9664 -127.387 28.1802 -127.387 -72.9881 -104.068 28.1817 -104.069 -250.643 GPRESSURE: 998600 -39.6145 -110.948 -61.0694 -152.154 -73.9806 -107.814 -9.31901 -77.6786 -212.335 PRESSAVG: 998600 42.2291 -11.1289 9.60112 -11.1289 39.9222 -29.964 9.60117 -29.9639 -41.0353 GPRESSAVG: 998600 43.7135 -12.2313 7.78222 -9.9626 37.7668 -29.0515 10.4996 -30.902 -40.5604 TIMING: 998600 CPU: 2962.26, 0.00296356/step Wall: 2962.26, 0.00296356/step, 3.294 hours remaining, 206.652344 MB of memory in use. ENERGY: 998600 708.2395 2136.3699 1936.1303 118.5435 -205588.6225 17443.9926 0.0000 0.0000 34196.5181 -149048.8286 298.6467 -183245.3467 -148952.5622 299.4152 -139.8659 -108.6435 559399.5772 13.7053 13.6400 PRESSURE: 998800 -128.812 6.31733 140.237 6.31797 -107.2 149.387 140.239 149.388 -46.4131 GPRESSURE: 998800 -97.0439 -3.27079 219.889 51.8875 -38.3841 -4.01455 115.378 168.78 -65.7588 PRESSAVG: 998800 22.8507 3.66664 112.603 3.66664 56.6351 -18.9621 112.602 -18.962 -32.7559 GPRESSAVG: 998800 20.9146 4.28484 112.19 2.43261 57.919 -20.4135 112.492 -16.9553 -32.5178 TIMING: 998800 CPU: 2962.86, 0.00297026/step Wall: 2962.86, 0.00297026/step, 3.30127 hours remaining, 206.652344 MB of memory in use. ENERGY: 998800 754.5557 2086.9961 1954.4449 122.1767 -205875.3159 17729.7420 0.0000 0.0000 34228.2551 -148999.1454 298.9239 -183227.4005 -148897.9465 299.6596 -94.1417 -67.0623 558148.7818 15.5766 15.4386 PRESSURE: 999000 51.177 14.9246 -42.177 14.926 -237.365 33.7848 -42.176 33.7832 -158.078 GPRESSURE: 999000 76.8874 9.04761 4.73801 37.306 -178.947 119.377 -85.3579 95.9623 -146.904 PRESSAVG: 999000 -41.3307 -3.23468 62.5801 -3.2347 16.939 -28.9974 62.5801 -28.9973 25.1508 GPRESSAVG: 999000 -41.4142 -2.68667 63.326 -3.60216 16.2399 -28.9535 62.077 -31.1912 25.3356 TIMING: 999000 CPU: 2963.45, 0.0029886/step Wall: 2963.45, 0.0029886/step, 3.3215 hours remaining, 206.652344 MB of memory in use. ENERGY: 999000 765.0603 2101.7596 1921.7328 128.8524 -206016.1085 17784.1868 0.0000 0.0000 34358.1730 -148956.3436 300.0585 -183314.5167 -148861.7380 299.8433 -114.7554 -82.9879 556492.4255 0.2530 0.0538 PRESSURE: 999200 -182.141 37.7498 134.091 37.7503 -358.812 76.6749 134.091 76.6742 -286.311 GPRESSURE: 999200 -147.813 -26.2466 77.9205 71.215 -313.837 29.4121 147.16 105.33 -265.197 PRESSAVG: 999200 -42.8253 25.9898 33.3624 25.9899 51.3362 4.38217 33.3624 4.38226 -17.1252 GPRESSAVG: 999200 -44.3622 25.9725 33.2659 26.1035 52.7294 4.01669 32.6289 4.80192 -17.1451 TIMING: 999200 CPU: 2964.05, 0.00298323/step Wall: 2964.05, 0.00298323/step, 3.31536 hours remaining, 206.652344 MB of memory in use. ENERGY: 999200 747.8924 2148.9805 1948.6426 113.3423 -205310.7403 17220.7259 0.0000 0.0000 34416.4199 -148714.7368 300.5672 -183131.1567 -148622.4532 300.7167 -275.7546 -242.2822 557913.5989 -2.8714 -2.9260 PRESSURE: 999400 58.8197 -82.4164 1.77573 -82.4173 23.231 76.4229 1.77571 76.422 -207.557 GPRESSURE: 999400 103.99 -139.637 47.1501 -102.478 69.4727 -51.1398 -6.91066 141.773 -205.885 PRESSAVG: 999400 15.5911 11.9966 1.86335 11.9966 -17.5774 -28.147 1.86337 -28.147 3.85338 GPRESSAVG: 999400 17.8892 11.8444 1.36104 10.298 -19.1404 -26.6385 2.67155 -27.014 3.49504 TIMING: 999400 CPU: 2964.65, 0.00297171/step Wall: 2964.65, 0.00297171/step, 3.3024 hours remaining, 206.652344 MB of memory in use. ENERGY: 999400 773.0158 2116.8044 1940.0089 111.6310 -206120.9077 17835.4745 0.0000 0.0000 34436.4824 -148907.4907 300.7424 -183343.9731 -148811.6938 300.6387 -41.8354 -10.8073 556903.2939 0.6224 0.7479 PRESSURE: 999600 -95.3909 -9.61356 52.8166 -9.61392 -48.4602 -13.5412 52.816 -13.5386 -183.633 GPRESSURE: 999600 -41.1029 -50.5416 54.2847 6.11652 -34.0192 14.137 12.8739 20.2173 -158.49 PRESSAVG: 999600 -31.3032 51.1582 -18.7493 51.1582 97.7345 -48.2626 -18.7493 -48.2625 -38.2268 GPRESSAVG: 999600 -31.5924 49.713 -18.8613 54.3983 98.0038 -50.991 -19.6902 -48.7225 -37.9497 TIMING: 999600 CPU: 2965.24, 0.00296575/step Wall: 2965.24, 0.00296575/step, 3.29561 hours remaining, 206.652344 MB of memory in use. ENERGY: 999600 768.2770 2046.2150 1935.6536 105.6930 -205809.7610 17584.8333 0.0000 0.0000 34452.5412 -148916.5479 300.8826 -183369.0891 -148818.0064 299.6054 -109.1613 -77.8708 557040.1772 9.4015 9.4872 PRESSURE: 999800 -117.013 -270.059 -19.9797 -270.059 14.034 15.2762 -19.9798 15.2761 105.52 GPRESSURE: 999800 -79.6242 -218.79 -103.677 -227.687 69.6392 84.7534 12.6615 -85.5184 106.817 PRESSAVG: 999800 -0.744713 -37.7524 -3.17429 -37.7524 19.0862 -28.3798 -3.17429 -28.3798 -11.1501 GPRESSAVG: 999800 -0.132189 -35.3594 -2.87512 -39.7373 18.898 -24.8886 -2.83093 -29.6225 -12.2344 TIMING: 999800 CPU: 2965.83, 0.00296811/step Wall: 2965.83, 0.00296811/step, 3.29806 hours remaining, 206.652344 MB of memory in use. ENERGY: 999800 733.8249 2116.9487 1940.9757 118.8027 -205895.0851 17716.7977 0.0000 0.0000 34330.4298 -148937.3056 299.8162 -183267.7354 -148838.1865 299.8561 0.8471 32.2774 557469.3827 2.3971 2.1771 PRESSURE: 1000000 187.201 -55.8462 124.798 -55.846 187.745 -39.3133 124.798 -39.3128 -215.601 GPRESSURE: 1000000 210.349 -115.814 156.164 -55.8225 259.392 5.17241 157.162 -43.5948 -212.182 PRESSAVG: 1000000 34.148 -48.2139 4.23736 -48.2139 48.8678 19.5721 4.23728 19.5721 -76.6784 GPRESSAVG: 1000000 33.4336 -50.2141 3.99013 -47.6203 49.8214 17.6683 4.48752 19.9258 -77.584 TIMING: 1000000 CPU: 2966.42, 0.00295201/step Wall: 2966.42, 0.00295201/step, 3.28001 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: 1000000 779.1421 2107.9096 1950.4636 106.1695 -205981.9116 17823.2819 0.0000 0.0000 34177.6580 -149037.2870 298.4820 -183214.9450 -148949.3655 299.8799 53.1150 85.8531 558936.0059 2.1125 1.8903 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1000000 WRITING COORDINATES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART COORDINATES The last position output (seq=1000000) takes 0.010 seconds, 206.652 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 1000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1000200 -83.3149 43.411 75.4793 43.411 89.9077 -21.1964 75.4786 -21.1956 -292.977 GPRESSURE: 1000200 -30.071 57.4385 76.3509 -30.1093 84.4937 -2.52557 5.32552 0.0663633 -244.815 PRESSAVG: 1000200 -13.5177 -11.4089 -1.30744 -11.409 39.2533 -35.9373 -1.30755 -35.9374 -52.4522 GPRESSAVG: 1000200 -13.222 -11.0629 -1.18745 -11.9095 38.6064 -36.1064 0.595523 -34.3387 -51.9669 TIMING: 1000200 CPU: 2967.03, 0.00302555/step Wall: 2967.03, 0.00302555/step, 3.36155 hours remaining, 206.652344 MB of memory in use. ENERGY: 1000200 761.6789 2040.0216 1950.9353 118.6679 -206013.3621 17636.3441 0.0000 0.0000 34373.9315 -149131.7827 300.1961 -183505.7143 -149040.8132 299.5147 -95.4613 -63.4640 559394.2653 -8.9055 -8.8608 LDB: ============= START OF LOAD BALANCING ============== 2970.45 LDB: ============== END OF LOAD BALANCING =============== 2970.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2970.46 LDB: ============= START OF LOAD BALANCING ============== 2970.75 LDB: Largest compute 4848 load 0.030322 is 25.7% of average load 0.117882 LDB: Average compute 0.001736 is 1.5% of average load 0.117882 LDB: TIME 2970.75 LOAD: AVG 0.117882 MAX 0.19554 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.477 MB LDB: TIME 2970.75 LOAD: AVG 0.117882 MAX 0.19554 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.477 MB LDB: TIME 2970.75 LOAD: AVG 0.117882 MAX 0.19554 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.477 MB LDB: ============== END OF LOAD BALANCING =============== 2970.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2970.76 PRESSURE: 1000400 -313.758 -16.2707 110.085 -16.2711 -22.7482 41.2535 110.085 41.2534 -177.639 GPRESSURE: 1000400 -316.652 9.33916 46.8177 -38.7863 -22.0003 60.0318 148.243 103.735 -95.1822 PRESSAVG: 1000400 27.4616 14.6499 -30.7004 14.6499 -18.9992 -19.8661 -30.7004 -19.8662 36.2643 GPRESSAVG: 1000400 26.5167 17.1749 -31.0818 13.6379 -18.8288 -18.8061 -31.9254 -21.6565 37.293 TIMING: 1000400 CPU: 2967.63, 0.00301411/step Wall: 2967.63, 0.00301411/step, 3.34868 hours remaining, 206.246094 MB of memory in use. ENERGY: 1000400 758.9031 2083.6425 1928.7922 111.8522 -205864.2093 17673.5091 0.0000 0.0000 34288.3029 -149019.2074 299.4483 -183307.5103 -148928.1925 300.1293 -171.3819 -144.6114 561186.2411 14.9089 14.9936 PRESSURE: 1000600 320.558 -86.206 -53.0452 -86.2066 -99.3557 -119.191 -53.0455 -119.191 92.5651 GPRESSURE: 1000600 364.808 -77.4144 -54.1277 -104.592 -42.7223 -107.479 -16.0525 -181.547 80.7482 PRESSAVG: 1000600 56.1828 -15.5871 63.1427 -15.5871 -70.0132 -44.7559 63.1427 -44.7561 36.6995 GPRESSAVG: 1000600 57.6715 -15.5207 64.8306 -15.8955 -71.4386 -45.8736 60.9243 -44.909 35.9013 TIMING: 1000600 CPU: 2968.22, 0.00294262/step Wall: 2968.22, 0.00294262/step, 3.26909 hours remaining, 206.449219 MB of memory in use. ENERGY: 1000600 759.2767 2151.1296 1946.3488 111.3751 -205969.7775 17916.6429 0.0000 0.0000 34069.4811 -149015.5233 297.5373 -183085.0044 -148921.0703 299.5675 104.5893 134.2780 559051.6374 7.6231 7.3780 PRESSURE: 1000800 247.754 -89.3261 -186.854 -89.327 11.1114 80.9398 -186.855 80.9394 -37.9694 GPRESSURE: 1000800 228.981 -157.429 -106.249 -68.5658 26.0145 144.519 -74.8495 71.972 47.1193 PRESSAVG: 1000800 50.0137 -4.99205 -26.1111 -4.99211 -91.784 28.1197 -26.111 28.1197 -17.0932 GPRESSAVG: 1000800 49.7192 -6.99139 -26.9447 -3.63047 -92.538 28.6627 -24.2084 27.7757 -15.7425 TIMING: 1000800 CPU: 2968.81, 0.00296614/step Wall: 2968.81, 0.00296614/step, 3.29505 hours remaining, 206.449219 MB of memory in use. ENERGY: 1000800 735.0837 2093.9118 1935.3951 104.5651 -206024.3394 17951.4624 0.0000 0.0000 34174.2897 -149029.6316 298.4526 -183203.9213 -148936.3326 298.9034 73.6321 100.7050 559556.1409 -19.6211 -19.5204 PRESSURE: 1001000 24.4979 118.994 47.6615 118.995 10.8852 -26.3974 47.6622 -26.3957 292.759 GPRESSURE: 1001000 93.1029 161.991 -0.92244 71.3817 56.9402 -97.687 171.233 63.4439 274.356 PRESSAVG: 1001000 34.1382 -22.107 -68.1898 -22.107 -96.4124 -27.9387 -68.1897 -27.9388 66.827 GPRESSAVG: 1001000 33.5842 -23.9325 -66.2991 -21.5459 -94.7319 -25.2863 -69.7878 -27.509 65.9141 TIMING: 1001000 CPU: 2969.4, 0.00293696/step Wall: 2969.4, 0.00293696/step, 3.26247 hours remaining, 206.449219 MB of memory in use. ENERGY: 1001000 765.8679 2053.5278 1955.1421 107.4439 -206207.5791 17963.7007 0.0000 0.0000 34393.4785 -148968.4182 300.3668 -183361.8967 -148869.9816 299.6800 109.3806 141.4662 556555.6496 1.5176 1.5888 PRESSURE: 1001200 114.509 26.4009 -63.3475 26.4004 224.931 -3.52201 -63.3478 -3.52163 12.2744 GPRESSURE: 1001200 149.305 52.1948 -68.1005 77.0954 259.196 28.3874 -88.3958 -18.4321 32.442 PRESSAVG: 1001200 -5.1554 -52.4982 -37.9421 -52.4982 34.3242 60.5417 -37.942 60.5416 7.78173 GPRESSAVG: 1001200 -5.40618 -50.3526 -39.4756 -54.7255 33.4921 57.7376 -37.9994 61.2364 8.36868 TIMING: 1001200 CPU: 2969.99, 0.0029493/step Wall: 2969.99, 0.0029493/step, 3.27602 hours remaining, 206.449219 MB of memory in use. ENERGY: 1001200 735.0546 2074.6249 1958.5923 111.8898 -206146.7780 17872.3266 0.0000 0.0000 34342.8138 -149051.4760 299.9243 -183394.2898 -148957.5057 299.3960 117.2379 146.9811 557817.3146 12.3168 12.1515 PRESSURE: 1001400 -175.225 -84.0999 -89.7302 -84.0995 -18.1154 -30.428 -89.7301 -30.4282 -93.2768 GPRESSURE: 1001400 -138.731 -162.402 -152.488 -28.3406 -33.3506 -62.0594 -24.3004 -10.0895 -13.7838 PRESSAVG: 1001400 -3.42946 30.9955 -47.021 30.9955 17.9126 -31.6976 -47.021 -31.6976 28.3581 GPRESSAVG: 1001400 -2.83591 31.0683 -45.9109 33.7582 18.4198 -29.688 -44.8685 -31.3568 27.2096 TIMING: 1001400 CPU: 2970.59, 0.00298479/step Wall: 2970.59, 0.00298479/step, 3.31527 hours remaining, 206.449219 MB of memory in use. ENERGY: 1001400 743.4643 2047.8952 1938.9712 103.4795 -205866.7406 17640.0317 0.0000 0.0000 34272.3636 -149120.5354 299.3091 -183392.8989 -149024.7159 298.8032 -95.5390 -61.9552 559112.6627 14.2804 14.2645 PRESSURE: 1001600 -347.853 59.4138 -18.4506 59.4132 -394.962 43.4556 -18.449 43.4545 -185.243 GPRESSURE: 1001600 -352.039 119.641 -59.2027 16.6782 -382.104 27.5562 26.4444 28.8996 -92.4138 PRESSAVG: 1001600 35.8512 34.5198 21.4656 34.5198 -11.7148 -20.2943 21.4657 -20.2943 -32.6797 GPRESSAVG: 1001600 35.6843 34.1964 20.3687 31.5974 -11.8534 -20.7905 18.8231 -21.8809 -31.8252 TIMING: 1001600 CPU: 2971.18, 0.00297296/step Wall: 2971.18, 0.00297296/step, 3.30197 hours remaining, 206.449219 MB of memory in use. ENERGY: 1001600 755.1788 2123.9070 1958.3186 113.4546 -205868.5908 17421.5117 0.0000 0.0000 34257.4632 -149238.7570 299.1789 -183496.2202 -149145.1951 299.4913 -309.3526 -275.5188 559517.7248 -2.8478 -2.6648 PRESSURE: 1001800 -320.027 -51.9284 -131.98 -51.9289 -130.472 -73.3292 -131.98 -73.3295 -7.81935 GPRESSURE: 1001800 -251.871 -118.123 -81.5517 18.4509 -88.5358 -7.84241 -178.623 -35.7622 -24.0566 PRESSAVG: 1001800 -27.4748 42.5253 -35.1404 42.5254 2.46909 53.3449 -35.1403 53.3449 29.824 GPRESSAVG: 1001800 -27.2434 43.551 -35.1045 43.779 2.386 52.5149 -33.0839 53.6046 29.7052 TIMING: 1001800 CPU: 2971.77, 0.00296534/step Wall: 2971.77, 0.00296534/step, 3.29334 hours remaining, 206.449219 MB of memory in use. ENERGY: 1001800 749.6052 2085.9439 1945.2201 122.5502 -205890.1634 17674.6096 0.0000 0.0000 33972.7569 -149339.4774 296.6925 -183312.2343 -149241.5924 298.6159 -152.7727 -121.4880 559061.1656 1.6061 1.6159 PRESSURE: 1002000 -157.139 27.3388 60.867 27.3403 -212.609 -170.838 60.8669 -170.837 -184.763 GPRESSURE: 1002000 -90.1442 -10.001 36.5259 22.5833 -149.137 -122.741 54.0906 -189.754 -209.089 PRESSAVG: 1002000 -26.4201 59.2245 65.1678 59.2246 0.981471 21.3565 65.1678 21.3565 2.38773 GPRESSAVG: 1002000 -26.8818 59.3543 65.8556 58.6536 1.27745 18.5673 66.8461 22.5765 2.34171 TIMING: 1002000 CPU: 2972.36, 0.00294283/step Wall: 2972.36, 0.00294283/step, 3.26817 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: 1002000 724.3108 2077.4123 1944.6864 121.0297 -205858.3302 17449.2936 0.0000 0.0000 34329.2599 -149212.3376 299.8060 -183541.5975 -149116.1004 298.8585 -184.8368 -149.4567 558053.5971 -7.6836 -7.7542 PRESSURE: 1002200 -151.088 -162.392 -110.481 -162.392 24.1464 129.018 -110.481 129.021 -155.688 GPRESSURE: 1002200 -119.997 -63.3627 -66.2854 -191.416 16.8282 120.128 -66.2926 106.575 -80.6263 PRESSAVG: 1002200 2.66365 68.0423 -13.2168 68.0423 -33.8937 55.1411 -13.2168 55.1412 1.409 GPRESSAVG: 1002200 1.67387 66.8964 -13.4066 69.4091 -33.3253 58.0764 -14.7573 53.6161 2.02374 TIMING: 1002200 CPU: 2972.95, 0.00295669/step Wall: 2972.95, 0.00295669/step, 3.28341 hours remaining, 206.449219 MB of memory in use. ENERGY: 1002200 748.7328 2148.4530 1933.8929 113.0536 -206053.4202 17659.4419 0.0000 0.0000 34339.8124 -149110.0336 299.8981 -183449.8460 -149015.6014 298.9428 -94.2098 -61.2649 557797.2620 -9.9403 -9.8759 PRESSURE: 1002400 -151.982 149.034 -92.403 149.035 -97.7138 9.43382 -92.4037 9.43318 -274.657 GPRESSURE: 1002400 -140.52 136.705 -80.9524 180.181 -76.8031 -38.6124 -82.4255 51.3351 -216.201 PRESSAVG: 1002400 -11.5211 9.90635 -14.9315 9.90621 51.3845 18.4243 -14.9316 18.4244 -9.20976 GPRESSAVG: 1002400 -9.75604 7.79098 -14.7312 9.71406 49.5323 17.3795 -14.5858 19.3149 -8.95387 TIMING: 1002400 CPU: 2973.55, 0.00296991/step Wall: 2973.55, 0.00296991/step, 3.29792 hours remaining, 206.449219 MB of memory in use. ENERGY: 1002400 793.8445 2100.5143 1940.1037 108.9962 -206069.3403 17616.2330 0.0000 0.0000 34388.4961 -149121.1524 300.3233 -183509.6485 -149028.6170 299.0505 -174.7843 -144.5078 556405.0617 10.2179 10.2741 PRESSURE: 1002600 77.8348 -44.9029 29.1455 -44.9025 199.969 -65.396 29.1465 -65.3959 3.59927 GPRESSURE: 1002600 105.141 -35.0498 79.7277 -138.963 216.489 -13.2768 17.8143 -68.0078 52.7815 PRESSAVG: 1002600 -16.7135 35.755 -2.66172 35.755 -37.0491 9.80522 -2.66172 9.80521 47.1431 GPRESSAVG: 1002600 -16.5749 38.5513 -4.7666 35.6394 -36.9215 11.5923 -1.63703 8.81276 47.0781 TIMING: 1002600 CPU: 2974.14, 0.00296383/step Wall: 2974.14, 0.00296383/step, 3.291 hours remaining, 206.449219 MB of memory in use. ENERGY: 1002600 749.9736 2037.4538 1928.3478 124.6928 -206493.5732 18052.9747 0.0000 0.0000 34387.1564 -149212.9741 300.3116 -183600.1305 -149107.6679 299.8202 93.8009 124.8038 557673.2778 -2.2065 -2.1394 PRESSURE: 1002800 -172.747 -90.4421 77.7885 -90.4412 141.458 -50.4667 77.7864 -50.4657 -119.806 GPRESSURE: 1002800 -143.015 -169.183 37.8063 -39.3004 172.541 -37.4447 160 -15.6737 -84.3211 PRESSAVG: 1002800 15.5487 21.8729 47.508 21.8728 -25.4126 -23.192 47.508 -23.1919 33.1654 GPRESSAVG: 1002800 14.5151 19.9479 48.3362 20.5331 -24.4079 -26.2382 47.5866 -22.1608 32.7833 TIMING: 1002800 CPU: 2974.73, 0.00296367/step Wall: 2974.73, 0.00296367/step, 3.29066 hours remaining, 206.449219 MB of memory in use. ENERGY: 1002800 749.7427 2083.2511 1921.9555 114.7169 -206051.2445 17750.2301 0.0000 0.0000 34139.7582 -149291.5900 298.1510 -183431.3482 -149190.8765 299.0578 -50.3651 -18.2651 558206.3778 7.7671 7.6302 PRESSURE: 1003000 157.972 111.512 45.3271 111.511 -136.106 -0.579042 45.3268 -0.578995 -8.45306 GPRESSURE: 1003000 176.047 80.0393 88.9556 99.4102 -86.2834 26.8364 31.4309 72.604 26.6634 PRESSAVG: 1003000 -39.2676 9.89984 91.7857 9.89987 32.7661 -5.68369 91.7857 -5.6837 -2.92372 GPRESSAVG: 1003000 -38.426 11.3819 92.7527 11.1208 32.5185 -3.48753 91.4152 -5.71002 -3.37433 TIMING: 1003000 CPU: 2975.32, 0.00294806/step Wall: 2975.32, 0.00294806/step, 3.27316 hours remaining, 206.449219 MB of memory in use. ENERGY: 1003000 736.9921 2072.5944 1936.6376 119.9098 -206288.5381 17901.6681 0.0000 0.0000 34288.9935 -149231.7426 299.4543 -183520.7361 -149136.5578 298.7942 4.4712 38.8089 556017.2528 -3.1418 -3.0940 PRESSURE: 1003200 -104.37 -58.4811 -50.0937 -58.4793 74.481 113.909 -50.0937 113.907 -167.272 GPRESSURE: 1003200 -103.385 -98.6198 -112.251 61.0374 99.5027 151.414 -65.6701 52.0926 -97.3183 PRESSAVG: 1003200 -39.9775 1.44109 32.9079 1.44123 -6.792 10.2242 32.9081 10.2241 19.8569 GPRESSAVG: 1003200 -41.0512 -1.41723 32.1155 1.1956 -6.32919 10.0814 32.0566 9.84711 20.3714 TIMING: 1003200 CPU: 2975.92, 0.0029694/step Wall: 2975.92, 0.0029694/step, 3.2967 hours remaining, 206.449219 MB of memory in use. ENERGY: 1003200 748.1416 2055.8964 1950.6187 111.8076 -206176.2307 17615.9079 0.0000 0.0000 34375.3140 -149318.5446 300.2082 -183693.8585 -149214.9660 299.4441 -65.7202 -33.7334 556938.6799 -8.9709 -9.0030 PRESSURE: 1003400 23.4742 -68.9858 207.105 -68.9859 5.81186 -207.817 207.106 -207.815 77.433 GPRESSURE: 1003400 50.8833 -42.4167 226.505 -64.022 -1.85665 -273.695 105.793 -184.628 151.214 PRESSAVG: 1003400 52.5094 -23.1468 21.5276 -23.1468 -42.784 -20.0006 21.5276 -20.0007 2.13382 GPRESSAVG: 1003400 52.68 -21.5397 21.4582 -21.7933 -44.0867 -21.3784 22.469 -18.7878 2.96595 TIMING: 1003400 CPU: 2976.51, 0.00298054/step Wall: 2976.51, 0.00298054/step, 3.30889 hours remaining, 206.449219 MB of memory in use. ENERGY: 1003400 726.3523 2070.1829 1921.3609 109.7051 -206107.7761 17801.3147 0.0000 0.0000 34170.4566 -149308.4037 298.4191 -183478.8602 -149218.7770 298.8616 35.5730 66.7468 557855.3652 3.9531 3.8531 PRESSURE: 1003600 115.731 -172.931 3.52699 -172.931 -102.762 -31.5305 3.52765 -31.5307 36.517 GPRESSURE: 1003600 166.795 -139.108 -46.1198 -86.9373 -90.3363 25.9252 -55.1288 -69.1452 58.25 PRESSAVG: 1003600 59.6577 18.8122 -10.2445 18.8121 9.77131 -36.6957 -10.2446 -36.6957 -43.6051 GPRESSAVG: 1003600 60.0128 20.3604 -10.1534 17.6593 10.3365 -36.3887 -10.7412 -36.2922 -44.1052 TIMING: 1003600 CPU: 2977.11, 0.00297994/step Wall: 2977.11, 0.00297994/step, 3.30807 hours remaining, 206.449219 MB of memory in use. ENERGY: 1003600 757.9644 2067.4156 1937.6035 118.8643 -206361.6200 17919.1241 0.0000 0.0000 34133.4346 -149427.2135 298.0958 -183560.6481 -149321.6602 298.1742 16.4954 44.9028 556740.4288 8.6080 8.7481 PRESSURE: 1003800 -171.096 4.64663 72.1335 4.64698 -205.74 -40.8438 72.1331 -40.845 73.4952 GPRESSURE: 1003800 -117.682 -42.5421 78.9076 16.7775 -190.046 -55.0553 61.9928 60.6936 93.6118 PRESSAVG: 1003800 5.08763 -16.2559 -55.3008 -16.2559 -66.2535 15.2058 -55.3007 15.2057 76.7886 GPRESSAVG: 1003800 5.36938 -17.1489 -54.947 -15.9285 -67.1926 15.5448 -54.237 14.5292 77.5359 TIMING: 1003800 CPU: 2977.7, 0.00295288/step Wall: 2977.7, 0.00295288/step, 3.27786 hours remaining, 206.449219 MB of memory in use. ENERGY: 1003800 733.5634 2130.6846 1947.6317 123.0144 -206041.4487 17552.7547 0.0000 0.0000 34097.6807 -149456.1192 297.7835 -183553.8000 -149352.1396 298.3901 -101.1136 -71.3719 558955.5738 5.2076 5.2376 PRESSURE: 1004000 183.864 -112.565 23.0786 -112.564 39.6426 11.8352 23.08 11.8362 129.305 GPRESSURE: 1004000 203.017 -25.9692 110.649 -98.9304 54.7028 13.3464 -67.2332 25.1214 188.052 PRESSAVG: 1004000 -28.2427 -27.6281 69.4536 -27.6282 -23.1012 27.6374 69.4535 27.6375 -7.73256 GPRESSAVG: 1004000 -27.929 -26.5356 71.2961 -27.3366 -21.7749 28.3484 68.7157 26.7908 -9.3406 TIMING: 1004000 CPU: 2978.29, 0.0029594/step Wall: 2978.29, 0.0029594/step, 3.28493 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: 1004000 773.6969 2057.1919 1912.4625 110.7211 -206551.8417 18098.9992 0.0000 0.0000 34098.4865 -149500.2836 297.7906 -183598.7701 -149408.5280 298.4497 117.6039 148.5908 557711.4659 -19.6921 -19.6815 PRESSURE: 1004200 -116.312 -28.2216 26.111 -28.2219 -228.304 69.7025 26.1104 69.7011 -29.5149 GPRESSURE: 1004200 -78.7505 -0.413293 15.531 -40.1635 -187.627 83.516 54.7695 65.8523 -7.63116 PRESSAVG: 1004200 -34.7203 14.9962 -21.2937 14.9963 75.7473 14.6395 -21.2937 14.6394 -50.1003 GPRESSAVG: 1004200 -35.1191 15.4634 -23.3057 13.793 75.9025 16.1333 -21.2093 12.2719 -49.8229 TIMING: 1004200 CPU: 2978.89, 0.00296529/step Wall: 2978.89, 0.00296529/step, 3.2913 hours remaining, 206.449219 MB of memory in use. ENERGY: 1004200 755.2947 2111.1792 1950.2939 117.2617 -206514.4842 17871.0739 0.0000 0.0000 34138.3686 -149571.0122 298.1389 -183709.3808 -149478.8326 297.9517 -124.7104 -91.3362 559021.4358 -3.0244 -3.0132 LDB: ============= START OF LOAD BALANCING ============== 2982.31 LDB: ============== END OF LOAD BALANCING =============== 2982.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2982.31 LDB: ============= START OF LOAD BALANCING ============== 2982.61 LDB: Largest compute 4848 load 0.029891 is 25.4% of average load 0.117827 LDB: Average compute 0.001745 is 1.5% of average load 0.117827 LDB: TIME 2982.61 LOAD: AVG 0.117827 MAX 0.197021 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.926 MB LDB: TIME 2982.61 LOAD: AVG 0.117827 MAX 0.197021 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.93 MB LDB: TIME 2982.61 LOAD: AVG 0.117827 MAX 0.197021 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.93 MB LDB: ============== END OF LOAD BALANCING =============== 2982.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2982.62 PRESSURE: 1004400 -203.398 163.715 -198.513 163.714 -190.632 -103.246 -198.513 -103.246 -113.962 GPRESSURE: 1004400 -134.469 216.811 -222.292 157.373 -148.503 -29.7184 -232.213 -90.1773 -123.81 PRESSAVG: 1004400 11.2084 67.4283 -26.6171 67.4283 34.0306 -2.95412 -26.617 -2.95405 -30.8263 GPRESSAVG: 1004400 10.4809 67.8657 -25.5846 67.2953 33.1777 -5.87525 -27.4855 0.357851 -29.3132 TIMING: 1004400 CPU: 2979.49, 0.00301856/step Wall: 2979.49, 0.00301856/step, 3.35027 hours remaining, 205.218750 MB of memory in use. ENERGY: 1004400 725.9701 2106.8650 1960.3887 114.7628 -206330.9110 17741.9201 0.0000 0.0000 34106.0256 -149574.9787 297.8564 -183681.0043 -149481.7540 298.6033 -169.3309 -135.5939 558388.6719 4.8042 4.7818 PRESSURE: 1004600 2.458 14.2377 35.1845 14.2387 284.379 -113.865 35.1836 -113.865 198.676 GPRESSURE: 1004600 127.299 47.4324 58.9884 6.82217 251.749 -8.44366 39.4746 -162.423 202.525 PRESSAVG: 1004600 -20.32 -28.3725 -1.53016 -28.3724 50.7757 -30.1363 -1.53009 -30.1362 -1.68252 GPRESSAVG: 1004600 -19.8092 -30.1795 -4.52303 -26.7078 52.1969 -28.8852 -2.43355 -31.305 -4.07386 TIMING: 1004600 CPU: 2980.08, 0.00295423/step Wall: 2980.08, 0.00295423/step, 3.2787 hours remaining, 205.218750 MB of memory in use. ENERGY: 1004600 766.7660 2040.9908 1940.7728 110.6063 -206529.0213 18071.7356 0.0000 0.0000 34093.5466 -149504.6033 297.7474 -183598.1499 -149409.3033 298.5760 161.8377 193.8575 557113.8836 9.5911 9.4379 PRESSURE: 1004800 -77.2658 20.1636 -97.5421 20.1648 -25.7051 33.6453 -97.5431 33.645 -11.3607 GPRESSURE: 1004800 -10.0453 14.999 2.58242 51.9326 14.7286 -76.8646 -147.605 108.079 -19.5332 PRESSAVG: 1004800 11.9048 21.3747 -32.1077 21.3747 31.9037 7.4195 -32.1078 7.41948 -35.1896 GPRESSAVG: 1004800 10.3684 21.4911 -30.1199 20.3255 32.3752 9.61693 -29.05 8.24148 -34.6118 TIMING: 1004800 CPU: 2980.67, 0.00295966/step Wall: 2980.67, 0.00295966/step, 3.28457 hours remaining, 205.218750 MB of memory in use. ENERGY: 1004800 725.7902 2089.1467 1940.7724 114.9233 -206325.2903 17768.9139 0.0000 0.0000 34155.2119 -149530.5319 298.2860 -183685.7438 -149433.5236 298.3820 -38.1105 -4.9500 556950.9575 2.8730 2.7106 PRESSURE: 1005000 -76.5337 -3.92483 40.1483 -3.92518 -162.006 135.298 40.1488 135.298 -131.759 GPRESSURE: 1005000 9.35551 11.7402 29.1939 -17.3574 -97.4568 153.473 6.03858 212.231 -175.899 PRESSAVG: 1005000 -30.6381 3.5761 -25.9761 3.57606 46.1232 -2.03832 -25.9761 -2.03832 3.33789 GPRESSAVG: 1005000 -29.7902 2.10481 -26.5285 2.94718 44.7499 -3.58992 -26.191 -2.18542 4.31619 TIMING: 1005000 CPU: 2981.27, 0.00297857/step Wall: 2981.27, 0.00297857/step, 3.30538 hours remaining, 205.218750 MB of memory in use. ENERGY: 1005000 764.3668 2085.9782 1924.6639 107.2933 -206080.3130 17693.7123 0.0000 0.0000 34163.5598 -149340.7386 298.3589 -183504.2984 -149245.7217 298.8994 -123.4329 -88.0003 557655.4575 6.2743 6.4253 PRESSURE: 1005200 127.366 -71.4791 -18.0375 -71.4796 22.4329 57.7911 -18.0365 57.791 -192.237 GPRESSURE: 1005200 103.533 -112.018 35.2419 -124.952 81.3742 21.1753 -126.152 70.8522 -136.198 PRESSAVG: 1005200 -21.2557 -27.0605 24.8534 -27.0605 39.1786 75.2523 24.8533 75.2521 6.15374 GPRESSAVG: 1005200 -20.5219 -25.7297 25.4479 -27.5899 38.4696 76.9735 22.9987 75.3773 5.90576 TIMING: 1005200 CPU: 2981.86, 0.0029603/step Wall: 2981.86, 0.0029603/step, 3.28495 hours remaining, 205.218750 MB of memory in use. ENERGY: 1005200 750.3221 2072.5550 1937.9059 103.0548 -206025.7917 17869.4260 0.0000 0.0000 34036.1324 -149256.3955 297.2460 -183292.5279 -149154.5639 298.8556 -14.1460 16.2364 558533.9563 8.0256 7.9511 PRESSURE: 1005400 -121.802 165.029 -8.40691 165.03 -145.377 -83.9986 -8.40547 -83.9969 -62.1225 GPRESSURE: 1005400 -62.9272 104.513 19.1478 147.318 -146.648 -37.6113 -8.78638 -157.581 -9.21617 PRESSAVG: 1005400 16.2921 -23.3065 -21.8978 -23.3064 63.1843 -1.77141 -21.8978 -1.77138 -45.4829 GPRESSAVG: 1005400 16.4968 -22.9647 -20.8922 -23.2844 64.2126 -4.71998 -20.8375 -2.37475 -46.5455 TIMING: 1005400 CPU: 2982.45, 0.00294181/step Wall: 2982.45, 0.00294181/step, 3.26427 hours remaining, 205.218750 MB of memory in use. ENERGY: 1005400 787.1110 2081.6710 1946.3962 133.0842 -206520.2195 17899.1218 0.0000 0.0000 34236.1300 -149436.7054 298.9926 -183672.8354 -149337.3489 299.2626 -109.7672 -72.9304 557991.4642 11.3311 11.3880 PRESSURE: 1005600 -143.244 -44.0047 -16.3422 -44.0043 -82.6194 110.562 -16.3416 110.56 146.366 GPRESSURE: 1005600 -139.304 -47.9791 -143.082 -32.7808 -84.7949 232.278 49.3632 57.1352 229.734 PRESSAVG: 1005600 12.9011 49.969 -53.7345 49.969 -32.8869 -19.5551 -53.7344 -19.5552 32.0701 GPRESSAVG: 1005600 12.3717 51.1688 -56.5866 48.2509 -33.3889 -19.0898 -52.8787 -17.5064 32.9448 TIMING: 1005600 CPU: 2983.04, 0.0029611/step Wall: 2983.04, 0.0029611/step, 3.28551 hours remaining, 205.218750 MB of memory in use. ENERGY: 1005600 739.0074 2084.9368 1931.4053 118.5849 -206610.8900 17978.8394 0.0000 0.0000 34214.4692 -149543.6469 298.8035 -183758.1161 -149457.6348 298.7671 -26.4990 1.8785 558079.6677 4.0281 3.9759 PRESSURE: 1005800 -107.602 7.32189 -33.7451 7.32302 248.488 91.1259 -33.7452 91.1259 59.2058 GPRESSURE: 1005800 -78.4639 1.69602 -38.8377 116.182 283.311 40.385 -101.631 53.2412 94.5781 PRESSAVG: 1005800 -9.83925 -47.1782 -55.5694 -47.1783 10.1883 29.8432 -55.5694 29.8433 -0.970624 GPRESSAVG: 1005800 -10.6582 -48.6326 -54.6392 -42.5154 10.2465 28.8999 -55.7335 28.1394 -0.306858 TIMING: 1005800 CPU: 2983.63, 0.00296718/step Wall: 2983.63, 0.00296718/step, 3.29209 hours remaining, 205.218750 MB of memory in use. ENERGY: 1005800 726.6779 2089.4680 1943.5949 125.6094 -206135.2711 17813.5924 0.0000 0.0000 33899.7758 -149536.5527 296.0552 -183436.3285 -149438.4770 297.9054 66.6970 99.8085 556874.9366 -0.2072 -0.2395 PRESSURE: 1006000 163.742 78.4461 -271.408 78.4459 63.4411 51.9231 -271.409 51.9238 96.0033 GPRESSURE: 1006000 192.046 108.325 -176.238 25.6425 47.2587 69.5119 -374.765 60.5116 186.103 PRESSAVG: 1006000 -6.71179 58.8404 7.95019 58.8405 -47.4547 62.5395 7.95016 62.5394 3.00685 GPRESSAVG: 1006000 -5.72735 59.2851 6.35999 55.8488 -48.2221 64.68 7.82983 62.613 2.53826 TIMING: 1006000 CPU: 2984.22, 0.00294561/step Wall: 2984.22, 0.00294561/step, 3.26799 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: 1006000 771.2700 2110.8112 1915.7417 115.8322 -206787.6328 18150.1938 0.0000 0.0000 34206.9775 -149516.8064 298.7380 -183723.7839 -149426.3409 298.5449 107.7288 141.8026 556967.7652 -17.0532 -17.1371 PRESSURE: 1006200 0.239046 179.135 -29.7412 179.135 -38.6576 -93.6286 -29.7413 -93.6279 45.3388 GPRESSURE: 1006200 80.1956 139.261 -75.3197 196.537 14.4312 -90.3205 54.8075 -89 8.92963 PRESSAVG: 1006200 -19.5709 -24.755 -49.1751 -24.755 47.6182 1.67765 -49.1752 1.67773 -12.1879 GPRESSAVG: 1006200 -19.9901 -22.1894 -46.315 -24.3363 49.3998 0.182447 -51.6244 0.777163 -14.3643 TIMING: 1006200 CPU: 2984.82, 0.00296393/step Wall: 2984.82, 0.00296393/step, 3.28816 hours remaining, 205.218750 MB of memory in use. ENERGY: 1006200 738.9062 2077.8541 1931.7057 117.8993 -206470.5629 17815.8214 0.0000 0.0000 34192.5597 -149595.8165 298.6121 -183788.3762 -149499.6419 298.2203 2.3067 34.5188 557154.4537 5.2865 5.0151 PRESSURE: 1006400 -246.591 174.448 -12.6745 174.448 -262.024 -114.989 -12.6736 -114.988 -14.8791 GPRESSURE: 1006400 -162.979 234.598 1.49698 100.761 -241.4 -63.2539 -83.6358 -70.7444 -31.552 PRESSAVG: 1006400 43.6426 39.0213 -28.8188 39.0212 -24.0373 13.5115 -28.8189 13.5115 26.0098 GPRESSAVG: 1006400 42.8705 36.5791 -29.9341 39.7999 -24.4107 14.7315 -26.7432 14.9644 26.3791 TIMING: 1006400 CPU: 2985.4, 0.00294702/step Wall: 2985.4, 0.00294702/step, 3.26922 hours remaining, 205.218750 MB of memory in use. ENERGY: 1006400 739.8122 2046.2156 1945.4312 126.8723 -206506.7714 17868.1746 0.0000 0.0000 34074.5573 -149705.7082 297.5816 -183780.2655 -149613.9055 297.3910 -174.4980 -145.3104 557639.2909 15.2051 14.9463 PRESSURE: 1006600 107.444 -28.2681 -159.513 -28.2669 -82.6219 99.5007 -159.512 99.5017 99.8671 GPRESSURE: 1006600 126.89 3.77029 -126.41 8.92676 -75.0891 68.0278 -89.5646 113.467 169.123 PRESSAVG: 1006600 17.6784 42.2044 11.5201 42.2045 -72.9435 4.42239 11.5201 4.42231 63.9936 GPRESSAVG: 1006600 17.4392 43.2303 10.086 41.1933 -73.6931 3.33607 10.7987 3.17705 65.0266 TIMING: 1006600 CPU: 2986, 0.00296245/step Wall: 2986, 0.00296245/step, 3.28618 hours remaining, 205.218750 MB of memory in use. ENERGY: 1006600 742.4130 2033.9048 1923.2193 113.4825 -206924.9251 18102.3949 0.0000 0.0000 34237.0510 -149772.4597 299.0007 -184009.5107 -149675.6405 297.2988 41.5629 73.6412 556715.7625 2.9095 2.9242 PRESSURE: 1006800 58.5245 -145.344 26.8006 -145.345 229.24 -133.074 26.8003 -133.075 48.5206 GPRESSURE: 1006800 84.0709 -174.13 18.9183 -224.267 214.908 -84.0827 12.7386 -143.366 148.743 PRESSAVG: 1006800 24.2513 -17.3659 29.6862 -17.3659 -86.2044 -0.971044 29.6861 -0.971042 105.494 GPRESSAVG: 1006800 25.0104 -19.018 29.6906 -15.714 -86.2238 0.964939 29.6526 -2.21232 104.969 TIMING: 1006800 CPU: 2986.59, 0.00296001/step Wall: 2986.59, 0.00296001/step, 3.2833 hours remaining, 205.218750 MB of memory in use. ENERGY: 1006800 767.0228 2055.9126 1950.1065 111.4855 -206763.0599 18045.4311 0.0000 0.0000 33889.6051 -149943.4964 295.9664 -183833.1015 -149850.5377 297.2088 112.0950 149.2408 554568.8629 14.5137 14.5853 PRESSURE: 1007000 -295.934 -84.007 -172.501 -84.0081 -438.326 -127.471 -172.501 -127.473 40.6516 GPRESSURE: 1007000 -274.665 -104.548 -124.383 -108.709 -417.988 -137.185 -124.681 -152.824 86.0197 PRESSAVG: 1007000 -29.2101 -20.4023 -38.3794 -20.4023 -40.9272 -55.2386 -38.3793 -55.2385 76.1196 GPRESSAVG: 1007000 -29.3975 -20.154 -34.7636 -21.1073 -40.9679 -55.0611 -37.5817 -53.1607 76.6853 TIMING: 1007000 CPU: 2987.18, 0.00296508/step Wall: 2987.18, 0.00296508/step, 3.28877 hours remaining, 205.218750 MB of memory in use. ENERGY: 1007000 777.0033 2102.1257 1936.6090 120.6720 -206370.1720 17686.1671 0.0000 0.0000 33775.1094 -149972.4856 294.9664 -183747.5950 -149875.2983 297.2148 -231.2028 -202.2112 556224.2169 1.9941 2.1066 PRESSURE: 1007200 -71.1449 -110.327 -19.1064 -110.327 -85.2517 -52.1173 -19.1079 -52.116 232.655 GPRESSURE: 1007200 -47.0936 -94.0184 13.9737 -193.758 -46.6747 -26.1467 -5.04277 -54.7721 259.561 PRESSAVG: 1007200 25.0383 -99.0518 -36.9172 -99.0517 -109.98 -66.1161 -36.9172 -66.116 80.4011 GPRESSAVG: 1007200 24.3147 -98.7236 -37.9927 -99.3995 -110.112 -66.2951 -37.1747 -66.4229 81.0084 TIMING: 1007200 CPU: 2987.77, 0.00296325/step Wall: 2987.77, 0.00296325/step, 3.28658 hours remaining, 205.218750 MB of memory in use. ENERGY: 1007200 739.5106 2093.4516 1942.3504 127.2984 -206575.5724 17957.2825 0.0000 0.0000 34047.6782 -149668.0007 297.3468 -183715.6789 -149574.1309 297.9183 25.4194 55.2644 555933.3484 -1.5136 -1.5965 PRESSURE: 1007400 15.1481 66.3754 204.694 66.3757 -149.682 113.507 204.694 113.507 -347.752 GPRESSURE: 1007400 -20.6456 50.013 191.519 21.4911 -121.012 111.794 198.403 3.67622 -254.278 PRESSAVG: 1007400 -3.85211 0.0629729 14.1926 0.0629462 -1.62433 -28.3424 14.1926 -28.3425 -18.4891 GPRESSAVG: 1007400 -2.17381 0.238534 13.7423 -0.395048 -1.76444 -30.0175 15.2711 -28.5096 -20.3015 TIMING: 1007400 CPU: 2988.36, 0.00294423/step Wall: 2988.36, 0.00294423/step, 3.26531 hours remaining, 205.218750 MB of memory in use. ENERGY: 1007400 738.4496 1985.5779 1933.7928 95.6716 -206557.3509 17777.8833 0.0000 0.0000 34305.5910 -149720.3848 299.5993 -184025.9758 -149613.5602 298.4149 -160.7619 -131.9783 557813.3892 -7.9885 -8.0799 PRESSURE: 1007600 90.4911 7.49889 -101.954 7.49893 42.3744 -22.9305 -101.954 -22.9311 291.732 GPRESSURE: 1007600 111.232 -14.0249 -191.569 -19.3519 80.9594 -14.3996 -27.1594 66.0633 322.642 PRESSAVG: 1007600 -20.6073 24.8358 2.33628 24.8358 18.0081 -8.0644 2.33624 -8.06449 3.40978 GPRESSAVG: 1007600 -21.6549 24.9346 1.08564 24.6567 18.8632 -6.86577 2.12527 -6.82802 3.42794 TIMING: 1007600 CPU: 2988.95, 0.00294514/step Wall: 2988.95, 0.00294514/step, 3.26616 hours remaining, 205.218750 MB of memory in use. ENERGY: 1007600 723.7185 2068.2292 1929.0359 119.4704 -206628.2755 18055.9933 0.0000 0.0000 34130.9308 -149600.8975 298.0739 -183731.8283 -149506.0629 297.6035 141.5325 171.6110 556127.6408 0.2702 0.2121 PRESSURE: 1007800 -197.002 123.703 117.098 123.702 169.177 5.20493 117.098 5.20347 -190.945 GPRESSURE: 1007800 -90.0207 100.116 107.122 208.869 151.215 60.5507 61.311 -66.0629 -185.863 PRESSAVG: 1007800 44.108 -1.80798 32.5957 -1.80796 22.2216 -3.09551 32.5957 -3.09548 -83.6026 GPRESSAVG: 1007800 44.1134 -2.24457 34.4709 -0.291001 22.1513 -3.5991 31.3203 -5.75891 -82.9804 TIMING: 1007800 CPU: 2989.54, 0.00294275/step Wall: 2989.54, 0.00294275/step, 3.26335 hours remaining, 205.218750 MB of memory in use. ENERGY: 1007800 751.5384 2080.3489 1943.5423 115.1090 -206503.2429 17809.9446 0.0000 0.0000 34066.4229 -149736.3368 297.5105 -183802.7596 -149638.3012 297.6459 -72.9233 -41.5562 556381.0064 -5.7577 -5.5719 PRESSURE: 1008000 -164.719 -42.6085 157.696 -42.6077 115.848 96.0278 157.697 96.0292 406.831 GPRESSURE: 1008000 -132.78 -68.8869 136.704 -17.0606 182.8 15.3684 190.111 202.806 412.365 PRESSAVG: 1008000 36.1906 -20.3536 19.8874 -20.3536 18.2991 -22.3787 19.8876 -22.3787 -44.2842 GPRESSAVG: 1008000 35.8468 -23.3164 18.376 -19.3814 18.3537 -23.0279 19.5159 -21.9372 -43.8992 TIMING: 1008000 CPU: 2990.13, 0.00294383/step Wall: 2990.13, 0.00294383/step, 3.26438 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: 1008000 722.8060 2094.8239 1928.1689 107.8284 -206879.0830 18131.0897 0.0000 0.0000 34360.6062 -149533.7598 300.0797 -183894.3660 -149437.7059 297.7908 119.3201 154.1284 558177.4179 3.4018 3.4338 PRESSURE: 1008200 38.5533 -92.7561 104.673 -92.7548 89.9496 -42.6654 104.673 -42.6664 -253.711 GPRESSURE: 1008200 35.1243 -96.7089 50.2514 -137.15 144.058 -80.5741 102.351 -18.6726 -193.681 PRESSAVG: 1008200 -14.4949 -52.8162 4.13512 -52.8162 0.646779 -16.3213 4.13512 -16.3214 -5.11655 GPRESSAVG: 1008200 -14.1121 -52.1127 5.016 -52.0408 0.661825 -14.7805 4.73819 -17.2692 -5.15005 TIMING: 1008200 CPU: 2990.72, 0.00294842/step Wall: 2990.72, 0.00294842/step, 3.26931 hours remaining, 205.218750 MB of memory in use. ENERGY: 1008200 736.4687 2118.2848 1938.3379 103.5067 -206505.4135 17996.1864 0.0000 0.0000 34173.1598 -149439.4692 298.4427 -183612.6290 -149353.3865 298.4365 -41.7359 -4.8328 558776.0395 -6.3216 -6.2001 LDB: ============= START OF LOAD BALANCING ============== 2994.15 LDB: ============== END OF LOAD BALANCING =============== 2994.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2994.15 LDB: ============= START OF LOAD BALANCING ============== 2994.45 LDB: Largest compute 4848 load 0.031844 is 27.0% of average load 0.117868 LDB: Average compute 0.001745 is 1.5% of average load 0.117868 LDB: TIME 2994.45 LOAD: AVG 0.117868 MAX 0.197805 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.156 MB LDB: TIME 2994.45 LOAD: AVG 0.117868 MAX 0.197805 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.156 MB LDB: TIME 2994.45 LOAD: AVG 0.117868 MAX 0.197805 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.156 MB LDB: ============== END OF LOAD BALANCING =============== 2994.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 2994.45 PRESSURE: 1008400 -165.323 -9.67288 0.564795 -9.67315 -7.37347 187.038 0.564571 187.038 -223.023 GPRESSURE: 1008400 -118.779 -72.9869 12.7347 44.0239 15.5688 181.552 21.9524 150.197 -202.001 PRESSAVG: 1008400 -57.9892 12.5564 40.2406 12.5564 29.0855 49.0345 40.2406 49.0345 -25.2703 GPRESSAVG: 1008400 -58.1322 14.9097 36.4951 10.3698 29.9728 48.7092 42.2315 51.4463 -25.909 TIMING: 1008400 CPU: 2991.32, 0.00302361/step Wall: 2991.32, 0.00302361/step, 3.35251 hours remaining, 205.359375 MB of memory in use. ENERGY: 1008400 761.7221 2087.5740 1948.7529 112.4784 -206154.7376 17611.6214 0.0000 0.0000 34174.5920 -149457.9967 298.4552 -183632.5887 -149358.4025 298.4941 -131.9066 -101.7369 557989.8355 -18.0580 -18.0228 PRESSURE: 1008600 -9.95553 -79.1085 31.1516 -79.1076 -26.7488 -89.2169 31.1522 -89.2166 -118.631 GPRESSURE: 1008600 49.2567 -29.3749 -32.9822 -138.739 -39.224 -13.667 104.64 -15.6673 -84.9405 PRESSAVG: 1008600 -10.7883 8.32844 -15.7332 8.32851 32.48 11.8267 -15.7333 11.8266 -53.9533 GPRESSAVG: 1008600 -12.1276 8.22618 -16.3322 8.9025 32.5115 11.682 -16.9224 11.4057 -52.2868 TIMING: 1008600 CPU: 2991.92, 0.00296249/step Wall: 2991.92, 0.00296249/step, 3.28458 hours remaining, 205.359375 MB of memory in use. ENERGY: 1008600 753.9589 2101.6120 1911.9830 117.9007 -206395.9332 17758.9140 0.0000 0.0000 34336.8315 -149414.7331 299.8721 -183751.5646 -149307.5571 298.7605 -51.7784 -24.9693 556545.8849 -10.7539 -10.6343 PRESSURE: 1008800 -171.842 -20.805 153.345 -20.807 -37.427 -97.9312 153.345 -97.9319 185.552 GPRESSURE: 1008800 -176.593 -45.5286 234.836 -10.7251 46.5188 -153.092 52.1723 -91.0619 186.51 PRESSAVG: 1008800 28.1145 -31.0284 -0.498923 -31.0284 -2.83565 -12.4702 -0.498935 -12.4704 5.33927 GPRESSAVG: 1008800 29.3855 -31.3153 -0.0488986 -31.0127 -3.12985 -12.2285 -0.336676 -13.4105 4.60166 TIMING: 1008800 CPU: 2992.51, 0.00295071/step Wall: 2992.51, 0.00295071/step, 3.27136 hours remaining, 205.359375 MB of memory in use. ENERGY: 1008800 734.2580 2118.0123 1932.2555 104.7216 -206216.1392 17815.0178 0.0000 0.0000 34083.9342 -149427.9399 297.6635 -183511.8740 -149329.9041 298.1825 -7.9056 18.8119 556946.4956 10.2061 10.2858 PRESSURE: 1009000 50.9829 49.5832 21.6488 49.5826 13.0872 -74.0926 21.6504 -74.0945 -53.5367 GPRESSURE: 1009000 72.1005 32.6072 110.479 -12.5973 12.6248 -83.7629 -48.8545 -94.2687 22.7427 PRESSAVG: 1009000 14.4467 -5.25491 -57.5381 -5.25483 42.9853 -20.2076 -57.5381 -20.2077 -43.1917 GPRESSAVG: 1009000 13.4681 -6.18001 -55.7689 -5.66901 42.905 -19.2744 -59.4135 -19.8993 -42.1718 TIMING: 1009000 CPU: 2993.1, 0.00297112/step Wall: 2993.1, 0.00297112/step, 3.29382 hours remaining, 205.359375 MB of memory in use. ENERGY: 1009000 747.0232 2068.3577 1932.5906 108.6836 -206269.2587 17918.9497 0.0000 0.0000 34095.2269 -149398.4270 297.7621 -183493.6539 -149303.7689 298.5565 3.5111 35.8227 556980.9267 4.7468 4.7338 PRESSURE: 1009200 -124.328 27.3406 113.764 27.3389 149.272 -122.32 113.762 -122.32 -179.074 GPRESSURE: 1009200 -53.2981 44.4305 124.911 6.78917 208.15 -238.823 113.202 -105.471 -204.796 PRESSAVG: 1009200 -21.4276 28.3959 -41.9657 28.3959 96.7306 -32.9635 -41.9657 -32.9634 -55.0629 GPRESSAVG: 1009200 -20.3609 29.0513 -41.5061 27.4482 96.0808 -33.5473 -39.2974 -32.6794 -55.302 TIMING: 1009200 CPU: 2993.69, 0.00296338/step Wall: 2993.69, 0.00296338/step, 3.28507 hours remaining, 205.359375 MB of memory in use. ENERGY: 1009200 764.4203 2093.8168 1945.5051 107.9183 -206367.3154 17859.6852 0.0000 0.0000 34252.1450 -149343.8247 299.1325 -183595.9697 -149250.2011 298.8913 -51.3765 -16.6481 558014.4701 6.7467 6.8060 PRESSURE: 1009400 -93.1309 -114.968 80.8657 -114.968 -36.5447 -1.24331 80.8651 -1.24278 -115.642 GPRESSURE: 1009400 -77.3301 -131.604 193.021 -77.7741 48.7547 -82.2813 16.2903 17.4967 -110.943 PRESSAVG: 1009400 15.9909 3.29096 36.733 3.29102 52.2196 11.027 36.733 11.027 -72.1643 GPRESSAVG: 1009400 15.5885 1.37759 39.286 7.21166 53.74 9.59545 34.5159 12.1283 -73.1366 TIMING: 1009400 CPU: 2994.28, 0.00295375/step Wall: 2994.28, 0.00295375/step, 3.27423 hours remaining, 205.359375 MB of memory in use. ENERGY: 1009400 738.9044 2173.2425 1911.2695 101.5353 -206248.2031 17656.0227 0.0000 0.0000 34396.4130 -149270.8157 300.3924 -183667.2287 -149174.0394 299.4568 -81.7726 -46.5061 556946.4250 -1.3179 -1.2694 PRESSURE: 1009600 108.003 22.0038 58.0071 22.0026 -56.3433 132.647 58.0076 132.646 137.877 GPRESSURE: 1009600 87.996 40.7704 89.9395 54.2504 13.5376 37.5159 3.09606 136.593 176.349 PRESSAVG: 1009600 22.265 22.1135 7.58729 22.1135 22.5344 -31.082 7.58735 -31.082 -37.6289 GPRESSAVG: 1009600 22.1566 23.4986 5.09334 20.2126 22.3595 -32.5769 9.0601 -31.7737 -36.3746 TIMING: 1009600 CPU: 2994.88, 0.00296209/step Wall: 2994.88, 0.00296209/step, 3.28331 hours remaining, 205.359375 MB of memory in use. ENERGY: 1009600 737.1148 2113.5414 1964.3195 108.7193 -206592.6053 17845.2716 0.0000 0.0000 34394.9985 -149428.6403 300.3801 -183823.6387 -149334.0645 299.0071 63.1789 92.6275 555288.3986 2.3902 2.7138 PRESSURE: 1009800 -51.3138 141.234 73.9662 141.234 -81.1404 -104.376 73.9644 -104.375 131.435 GPRESSURE: 1009800 0.854841 147.768 72.8669 134.799 -52.2418 -43.166 3.67762 -190.714 144.404 PRESSAVG: 1009800 44.9917 78.5423 -19.6498 78.5423 -4.1748 22.0112 -19.6498 22.0113 26.0095 GPRESSAVG: 1009800 44.3213 78.8448 -20.0817 77.2289 -2.98844 25.5696 -21.3516 21.5474 25.9184 TIMING: 1009800 CPU: 2995.47, 0.00295133/step Wall: 2995.47, 0.00295133/step, 3.27122 hours remaining, 205.359375 MB of memory in use. ENERGY: 1009800 736.5578 2124.2494 1955.9326 124.1484 -206639.0576 17875.5447 0.0000 0.0000 34082.0408 -149740.5840 297.6469 -183822.6248 -149647.0208 298.6358 -0.3399 31.0056 556286.6278 22.2755 22.4171 PRESSURE: 1010000 -181.623 -31.8508 -4.8005 -31.8506 -260.632 -87.5016 -4.80076 -87.502 -72.4363 GPRESSURE: 1010000 -161.639 -23.6026 -36.7153 -40.1032 -224.085 -147.7 -17.5572 -193.936 -48.7494 PRESSAVG: 1010000 -10.6446 38.9512 -28.4343 38.9511 -29.7301 -32.8671 -28.4343 -32.8671 58.288 GPRESSAVG: 1010000 -9.77522 38.4795 -27.6797 39.8575 -30.4546 -34.2186 -28.2244 -33.828 57.286 TIMING: 1010000 CPU: 2996.06, 0.00295304/step Wall: 2996.06, 0.00295304/step, 3.27295 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: 1010000 827.5335 2128.8807 1955.9783 117.1849 -206493.0126 17745.9653 0.0000 0.0000 33999.1806 -149718.2893 296.9233 -183717.4699 -149616.2980 298.1793 -171.5637 -144.8244 555995.4589 5.9711 5.6854 PRESSURE: 1010200 -153.843 35.2526 -87.085 35.2525 15.7813 -82.0958 -87.0852 -82.096 138.193 GPRESSURE: 1010200 -89.7401 27.7861 -160.299 46.3388 41.0318 -114.652 18.6265 -61.9071 157.493 PRESSAVG: 1010200 -26.9307 5.87558 32.8201 5.87566 -10.0896 9.82093 32.82 9.82085 -3.36556 GPRESSAVG: 1010200 -27.1131 5.91101 30.9378 3.308 -9.88253 9.14703 35.0575 9.94517 -2.89673 TIMING: 1010200 CPU: 2996.65, 0.00295767/step Wall: 2996.65, 0.00295767/step, 3.27792 hours remaining, 205.359375 MB of memory in use. ENERGY: 1010200 730.7907 2181.9111 1922.9281 102.7885 -206689.9172 17910.5376 0.0000 0.0000 34150.7597 -149690.2015 298.2471 -183840.9612 -149597.3774 297.6468 0.0437 36.2617 556521.6114 -13.4619 -13.2974 PRESSURE: 1010400 -364.789 -20.5435 31.1444 -20.5425 -180.296 117.7 31.1458 117.703 94.665 GPRESSURE: 1010400 -307.344 -58.3993 88.2845 -73.5601 -164.846 51.8486 -4.60603 69.8762 128.874 PRESSAVG: 1010400 35.9188 43.8561 2.88988 43.856 6.52004 -48.5787 2.88989 -48.5786 -7.72068 GPRESSAVG: 1010400 37.1394 43.8233 4.0778 46.5435 6.49539 -48.5024 2.88079 -47.2849 -8.66605 TIMING: 1010400 CPU: 2997.24, 0.0029654/step Wall: 2997.24, 0.0029654/step, 3.28632 hours remaining, 205.359375 MB of memory in use. ENERGY: 1010400 717.8122 2185.2107 1941.8748 112.0629 -206213.9693 17470.5595 0.0000 0.0000 34008.4672 -149777.9820 297.0044 -183786.4492 -149683.3428 297.6232 -150.1397 -114.4388 557112.0628 11.5727 11.6562 PRESSURE: 1010600 145.269 -23.0122 -39.0682 -23.0128 88.439 -123.433 -39.0673 -123.434 -200.102 GPRESSURE: 1010600 121.591 25.7668 -72.1184 -94.7748 171.039 -139.697 -3.58173 -122.8 -148.686 PRESSAVG: 1010600 23.963 15.0071 18.56 15.007 -30.209 26.802 18.5599 26.8021 -38.2526 GPRESSAVG: 1010600 22.5412 16.0384 19.5292 14.8133 -29.835 28.6174 17.5008 27.3928 -37.0692 TIMING: 1010600 CPU: 2997.84, 0.00296392/step Wall: 2997.84, 0.00296392/step, 3.28452 hours remaining, 205.359375 MB of memory in use. ENERGY: 1010600 710.7231 2077.9265 1953.6233 106.1827 -206381.6081 17761.1751 0.0000 0.0000 34008.8247 -149763.1528 297.0075 -183771.9776 -149668.8121 297.3303 11.2019 47.9810 555923.7327 -14.8329 -14.7877 PRESSURE: 1010800 141.813 98.9217 106.426 98.9223 136.364 11.3152 106.426 11.3162 -333.761 GPRESSURE: 1010800 168.696 101.598 44.7049 68.036 145.204 -19.1161 132.48 30.3494 -274.992 PRESSAVG: 1010800 60.5352 19.3808 5.21184 19.3809 32.7264 20.1424 5.21172 20.1425 -26.9473 GPRESSAVG: 1010800 61.1981 20.6876 2.99006 20.6793 31.8791 19.1873 6.40911 18.6813 -26.804 TIMING: 1010800 CPU: 2998.43, 0.00297495/step Wall: 2998.43, 0.00297495/step, 3.29657 hours remaining, 205.359375 MB of memory in use. ENERGY: 1010800 755.9296 2118.7996 1945.1943 115.5017 -206930.9264 17933.1030 0.0000 0.0000 34357.6067 -149704.7916 300.0535 -184062.3983 -149600.5369 297.9828 -18.5282 12.9694 557039.3352 22.1047 22.0911 PRESSURE: 1011000 -325.999 6.91666 -167.841 6.91592 -150.114 14.991 -167.841 14.9886 -333.658 GPRESSURE: 1011000 -293.308 -33.2163 -186.909 -28.0894 -155.318 21.8359 -173.356 56.3417 -274.002 PRESSAVG: 1011000 15.9287 36.229 4.58148 36.229 9.40223 32.4556 4.58156 32.4556 32.0942 GPRESSAVG: 1011000 16.5831 34.2756 6.27776 34.0918 9.38618 34.213 3.60927 31.5454 32.2478 TIMING: 1011000 CPU: 2999.02, 0.00296551/step Wall: 2999.02, 0.00296551/step, 3.28595 hours remaining, 205.359375 MB of memory in use. ENERGY: 1011000 731.9203 2153.2082 1946.2831 116.9290 -205955.6807 17461.8917 0.0000 0.0000 33925.7838 -149619.6647 296.2823 -183545.4485 -149528.8870 298.1404 -269.9238 -240.8760 558187.9301 19.1417 19.4057 PRESSURE: 1011200 18.9636 116.534 -108.092 116.536 -161.413 0.818049 -108.092 0.818175 201.162 GPRESSURE: 1011200 18.6348 90.995 -84.6042 102.22 -45.0238 -94.9272 -114.818 73.1335 187.629 PRESSAVG: 1011200 5.27717 -37.879 -27.157 -37.8791 -40.4576 -46.5586 -27.1571 -46.5587 11.9937 GPRESSAVG: 1011200 3.26054 -36.6546 -25.3434 -37.1733 -39.0203 -49.3037 -27.6111 -43.9212 12.2409 TIMING: 1011200 CPU: 2999.62, 0.00295971/step Wall: 2999.62, 0.00295971/step, 3.27936 hours remaining, 205.359375 MB of memory in use. ENERGY: 1011200 780.3367 2088.1148 1957.2547 114.8058 -206306.3126 17877.4636 0.0000 0.0000 33946.6514 -149541.6856 296.4646 -183488.3370 -149448.5172 297.8282 19.5711 53.7465 557221.5564 -7.7289 -7.8396 PRESSURE: 1011400 368.395 89.555 -131.892 89.5557 410.515 3.98998 -131.89 3.99034 179.797 GPRESSURE: 1011400 334.867 -12.2771 -132.186 178.918 432.596 -33.6315 -130.555 38.2154 283.604 PRESSAVG: 1011400 60.7444 21.8832 13.7922 21.8832 -23.2525 32.3339 13.7923 32.3339 -50.2271 GPRESSAVG: 1011400 60.7283 21.0918 11.4749 21.8756 -23.5215 33.9564 14.1096 31.4371 -49.6151 TIMING: 1011400 CPU: 3000.21, 0.00294953/step Wall: 3000.21, 0.00294953/step, 3.26791 hours remaining, 205.359375 MB of memory in use. ENERGY: 1011400 731.7971 2105.5955 1932.1197 109.4536 -206855.3707 18417.9405 0.0000 0.0000 34029.9264 -149528.5379 297.1918 -183558.4643 -149429.3184 297.9629 319.5689 350.3558 557370.7387 -4.2451 -4.1361 PRESSURE: 1011600 -210.646 -72.5025 -17.4799 -72.5024 -4.85096 190.455 -17.4786 190.455 16.0413 GPRESSURE: 1011600 -132.265 -69.5399 27.9281 -89.6003 9.67267 201.689 -37.3122 241.251 11.9941 PRESSAVG: 1011600 -19.9324 32.7237 -32.3125 32.7238 -41.8272 27.3207 -32.3125 27.3208 57.7654 GPRESSAVG: 1011600 -19.0745 32.2255 -31.8015 32.3017 -43.2556 28.3019 -32.5332 26.9051 58.656 TIMING: 1011600 CPU: 3000.8, 0.00295966/step Wall: 3000.8, 0.00295966/step, 3.27898 hours remaining, 205.359375 MB of memory in use. ENERGY: 1011600 743.7390 2109.8195 1937.5859 106.9321 -206464.0657 17795.7284 0.0000 0.0000 34196.8828 -149573.3779 298.6499 -183770.2608 -149476.2148 298.1446 -66.4852 -36.8662 557660.5008 -1.3314 -1.2247 PRESSURE: 1011800 95.9121 -173.037 66.7454 -173.038 -59.0135 100.705 66.7449 100.702 179.013 GPRESSURE: 1011800 220.986 -161.518 90.0937 -126.787 -54.289 64.2879 40.2722 121.106 140.663 PRESSAVG: 1011800 60.4851 54.9629 -11.1888 54.9629 -41.7027 24.4777 -11.1888 24.4779 -12.5233 GPRESSAVG: 1011800 60.5998 56.976 -11.4309 54.9222 -40.921 25.2429 -10.369 24.2048 -13.2997 TIMING: 1011800 CPU: 3001.39, 0.00295034/step Wall: 3001.39, 0.00295034/step, 3.26848 hours remaining, 205.359375 MB of memory in use. ENERGY: 1011800 728.3700 2093.7273 1940.0063 123.7358 -206353.3088 17716.8221 0.0000 0.0000 34234.0237 -149516.6235 298.9742 -183750.6472 -149415.1894 298.0401 71.9705 102.4534 556805.1852 2.0864 2.1264 PRESSURE: 1012000 -54.3191 87.307 -64.2245 87.3058 326.885 98.684 -64.2242 98.6844 225.428 GPRESSURE: 1012000 -23.0651 61.6228 -47.9674 -3.2741 333.123 28.0103 -59.3527 109.897 266.578 PRESSAVG: 1012000 -22.093 28.3706 93.3331 28.3705 35.3765 -29.0984 93.3331 -29.0984 -27.4219 GPRESSAVG: 1012000 -21.504 26.7866 94.2014 26.5188 35.2459 -30.608 93.3087 -28.293 -28.0127 TIMING: 1012000 CPU: 3001.98, 0.00294218/step Wall: 3001.98, 0.00294218/step, 3.25928 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: 1012000 754.4218 2053.0322 1936.1288 107.0724 -206623.7005 18068.1111 0.0000 0.0000 34100.3629 -149604.5712 297.8070 -183704.9342 -149502.1908 298.2711 165.9980 192.2119 556218.5115 -4.7128 -4.7570 PRESSURE: 1012200 -20.5227 -81.3265 106.672 -81.3248 223.236 -46.6008 106.673 -46.5994 283.021 GPRESSURE: 1012200 0.933352 6.10256 98.041 -161.073 269.947 -36.8949 144.744 -84.4893 320.792 PRESSAVG: 1012200 53.0087 53.0992 106.876 53.0993 -36.6657 2.93925 106.876 2.93931 34.6397 GPRESSAVG: 1012200 52.2862 52.7828 105.513 53.1988 -36.2544 4.4415 105.683 2.92674 34.3894 TIMING: 1012200 CPU: 3002.57, 0.00295629/step Wall: 3002.57, 0.00295629/step, 3.27475 hours remaining, 205.359375 MB of memory in use. ENERGY: 1012200 748.4327 2113.2963 1949.9095 110.1903 -206496.2054 18071.7608 0.0000 0.0000 34119.7367 -149382.8791 297.9761 -183502.6159 -149289.3400 298.3035 161.9112 197.2239 556317.9835 16.9942 16.8071 LDB: ============= START OF LOAD BALANCING ============== 3005.99 LDB: ============== END OF LOAD BALANCING =============== 3005.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3006 LDB: ============= START OF LOAD BALANCING ============== 3006.29 LDB: Largest compute 4848 load 0.029859 is 25.3% of average load 0.117952 LDB: Average compute 0.001742 is 1.5% of average load 0.117952 LDB: TIME 3006.3 LOAD: AVG 0.117952 MAX 0.196856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 3006.3 LOAD: AVG 0.117952 MAX 0.196856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: TIME 3006.3 LOAD: AVG 0.117952 MAX 0.196856 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 208.387 MB LDB: ============== END OF LOAD BALANCING =============== 3006.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3006.3 PRESSURE: 1012400 -106.852 148.84 128.383 148.839 -208.992 -96.6805 128.384 -96.6804 -263.51 GPRESSURE: 1012400 -81.0169 56.3318 79.4152 213.68 -155.385 -130.821 209.848 -65.4797 -242.105 PRESSAVG: 1012400 -40.5699 28.8301 71.9217 28.83 4.96841 -11.5207 71.9218 -11.5208 40.5329 GPRESSAVG: 1012400 -39.4554 27.4771 71.4703 30.6951 3.7764 -13.1249 72.9678 -9.55778 39.9843 TIMING: 1012400 CPU: 3003.17, 0.00302818/step Wall: 3003.17, 0.00302818/step, 3.35422 hours remaining, 207.152344 MB of memory in use. ENERGY: 1012400 696.3719 2108.8992 1923.0566 119.9330 -206065.2987 17415.7313 0.0000 0.0000 34330.0366 -149471.2701 299.8127 -183801.3067 -149371.6029 299.2098 -193.1180 -159.5026 557299.9833 1.6438 1.4351 PRESSURE: 1012600 -47.6376 251.35 31.7546 251.351 76.8675 93.0305 31.7547 93.0305 -74.9103 GPRESSURE: 1012600 -38.0984 238.41 -3.64851 271.393 94.9042 50.3426 23.1812 117.281 -21.317 PRESSAVG: 1012600 -5.41426 31.517 112.906 31.517 -27.0805 17.5924 112.906 17.5925 34.9381 GPRESSAVG: 1012600 -6.9763 32.1139 114.887 31.2154 -25.9854 17.9024 110.751 17.7778 35.4393 TIMING: 1012600 CPU: 3003.77, 0.00296191/step Wall: 3003.77, 0.00296191/step, 3.28064 hours remaining, 207.355469 MB of memory in use. ENERGY: 1012600 765.5652 2070.1588 1937.6610 112.1907 -206232.7664 17719.9421 0.0000 0.0000 34049.0499 -149578.1987 297.3588 -183627.2486 -149486.0630 298.7910 -15.2268 11.8296 556457.8901 0.8145 0.8259 PRESSURE: 1012800 151.118 110.459 -118.093 110.459 -98.6397 -89.5344 -118.093 -89.5337 -39.6562 GPRESSURE: 1012800 178.525 81.7638 -115.896 157.385 -41.4766 -141.091 -80.1327 -151.162 -32.3659 PRESSAVG: 1012800 30.1976 56.7049 2.75053 56.7049 -22.1033 3.35465 2.75058 3.35462 -0.39113 GPRESSAVG: 1012800 31.5032 56.8519 1.93064 57.2253 -23.5548 3.24983 3.67986 1.89224 -0.602437 TIMING: 1012800 CPU: 3004.36, 0.00296995/step Wall: 3004.36, 0.00296995/step, 3.28938 hours remaining, 207.355469 MB of memory in use. ENERGY: 1012800 760.1249 2061.6388 1931.7169 103.0554 -206343.8488 17841.0946 0.0000 0.0000 34257.0474 -149389.1708 299.1753 -183646.2182 -149284.0237 298.8939 4.2740 34.8941 557400.5924 2.5677 2.4486 PRESSURE: 1013000 -23.5947 26.2091 -67.9175 26.2102 -16.162 23.8122 -67.9175 23.8121 -559.78 GPRESSURE: 1013000 -0.258473 18.1384 -54.4422 70.557 -3.55182 38.8559 -45.4878 32.8685 -509.276 PRESSAVG: 1013000 69.1469 30.755 -44.1068 30.755 -15.6541 16.5393 -44.1069 16.5392 -75.1738 GPRESSAVG: 1013000 67.2909 32.1704 -45.4987 31.7469 -14.8009 17.5355 -44.6006 15.9217 -74.6429 TIMING: 1013000 CPU: 3004.95, 0.00296261/step Wall: 3004.95, 0.00296261/step, 3.28109 hours remaining, 207.355469 MB of memory in use. ENERGY: 1013000 752.4066 2102.0857 1948.3150 114.8735 -205786.2468 17436.5100 0.0000 0.0000 34192.5304 -149239.5256 298.6119 -183432.0560 -149142.3712 299.1500 -199.8455 -171.0286 558322.3204 -7.2270 -7.3843 PRESSURE: 1013200 -87.0683 92.5775 -68.429 92.5771 84.3791 145.868 -68.4281 145.867 131.178 GPRESSURE: 1013200 -43.6092 90.566 -157.904 68.2579 122.155 138.143 12.9353 144.741 142.02 PRESSAVG: 1013200 -39.1034 15.7264 64.7629 15.7263 34.1691 6.39471 64.7631 6.39472 14.2538 GPRESSAVG: 1013200 -39.3232 14.4755 66.4566 14.3676 33.8152 6.80617 64.2041 7.55617 15.4784 TIMING: 1013200 CPU: 3005.55, 0.00298158/step Wall: 3005.55, 0.00298158/step, 3.30194 hours remaining, 207.355469 MB of memory in use. ENERGY: 1013200 723.7255 2108.8613 1927.4635 112.5835 -206228.6577 17885.1780 0.0000 0.0000 34253.9779 -149216.8680 299.1485 -183470.8459 -149119.7732 299.3482 42.8296 73.5222 557700.7767 3.1065 3.3235 PRESSURE: 1013400 -207.798 115.636 -247.588 115.636 -37.5882 61.8492 -247.588 61.848 -5.12539 GPRESSURE: 1013400 -167.833 112.637 -202.447 86.1974 3.95093 20.4565 -223.938 21.9414 10.6359 PRESSAVG: 1013400 27.5799 84.0605 -57.6182 84.0604 4.4985 -23.465 -57.6182 -23.465 -17.65 GPRESSAVG: 1013400 28.7861 84.0796 -57.7144 83.3216 4.61666 -26.2858 -59.689 -23.8321 -18.8832 TIMING: 1013400 CPU: 3006.14, 0.00295609/step Wall: 3006.14, 0.00295609/step, 3.27354 hours remaining, 207.355469 MB of memory in use. ENERGY: 1013400 745.8135 2143.3074 1954.0891 110.5032 -205821.2377 17658.1307 0.0000 0.0000 34106.2550 -149103.1390 297.8584 -183209.3940 -149003.0697 299.5148 -83.5040 -51.0821 556983.8961 4.8095 4.8398 PRESSURE: 1013600 -27.5996 3.47003 40.6176 3.46987 61.1829 -62.3908 40.6177 -62.3896 -78.8136 GPRESSURE: 1013600 70.4956 -5.95741 -31.5123 11.5281 -13.5308 -38.6811 8.40936 -86.7316 -18.5887 PRESSAVG: 1013600 13.4053 -39.0802 -43.2916 -39.0801 -68.3868 6.78902 -43.2916 6.78902 42.4952 GPRESSAVG: 1013600 12.7398 -40.9038 -43.9573 -37.4114 -67.8125 10.3793 -41.9004 6.19615 42.2064 TIMING: 1013600 CPU: 3006.73, 0.00296426/step Wall: 3006.73, 0.00296426/step, 3.28242 hours remaining, 207.355469 MB of memory in use. ENERGY: 1013600 725.9804 2118.4205 1926.3493 104.8272 -206011.6557 17793.2862 0.0000 0.0000 34177.6206 -149165.1715 298.4817 -183342.7920 -149071.9746 298.5178 -15.0768 12.7921 557977.6865 -4.1621 -4.2888 PRESSURE: 1013800 -147.586 -108.06 -9.20304 -108.058 -116.163 -97.2208 -9.20276 -97.2209 62.9579 GPRESSURE: 1013800 -146.995 -90.858 -0.856243 -115.496 -70.2641 -103.162 8.14488 -116.412 113.048 PRESSAVG: 1013800 0.943727 -16.0718 -20.9375 -16.0718 -8.49241 -6.39206 -20.9374 -6.39211 -1.9845 GPRESSAVG: 1013800 0.72586 -13.9614 -20.7736 -18.1209 -9.76349 -7.05345 -19.4239 -6.77009 -0.620039 TIMING: 1013800 CPU: 3007.32, 0.00295097/step Wall: 3007.32, 0.00295097/step, 3.26754 hours remaining, 207.355469 MB of memory in use. ENERGY: 1013800 718.4742 2128.9887 1933.6641 111.9153 -206013.1601 17790.4035 0.0000 0.0000 34283.0029 -149046.7113 299.4020 -183329.7142 -148946.5435 299.4139 -66.9304 -34.7369 560051.3002 -3.1777 -3.2192 PRESSURE: 1014000 -141.227 118.126 82.8038 118.126 214.827 -72.2037 82.8044 -72.2021 58.062 GPRESSURE: 1014000 -71.6503 117.76 163.085 186.965 244.145 21.4996 27.517 -94.6863 56.0772 PRESSAVG: 1014000 15.2591 -6.84744 38.3413 -6.84753 -5.80656 -80.5627 38.3413 -80.5627 8.41017 GPRESSAVG: 1014000 15.9299 -7.36931 37.0762 -6.07141 -5.31812 -82.4967 39.5522 -78.521 6.84854 TIMING: 1014000 CPU: 3007.92, 0.00296451/step Wall: 3007.92, 0.00296451/step, 3.28237 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: 1014000 755.1753 2098.1577 1930.3370 116.5385 -206139.1024 17883.0388 0.0000 0.0000 34249.6020 -149106.2530 299.1103 -183355.8551 -149008.8861 299.6563 43.8873 76.1906 558596.2932 5.9542 5.8201 PRESSURE: 1014200 -197.17 -171.311 243.785 -171.312 -23.32 -249.287 243.785 -249.287 -0.622767 GPRESSURE: 1014200 -105.55 -86.1262 102.55 -196.027 -15.9432 -150.504 314.396 -278.375 12.7498 PRESSAVG: 1014200 -54.0973 -38.2852 -3.69947 -38.2852 19.9326 -25.7734 -3.69943 -25.7734 29.2064 GPRESSAVG: 1014200 -54.6262 -38.8347 -0.445585 -37.8503 20.2363 -23.8413 -6.213 -25.9082 29.2515 TIMING: 1014200 CPU: 3008.51, 0.00296643/step Wall: 3008.51, 0.00296643/step, 3.28433 hours remaining, 207.355469 MB of memory in use. ENERGY: 1014200 754.1571 2116.4568 1963.5014 107.9771 -206120.5840 17834.7241 0.0000 0.0000 34331.8942 -149011.8734 299.8290 -183343.7675 -148917.7068 299.7782 -73.7041 -36.2478 559789.5078 -1.6528 -1.7128 PRESSURE: 1014400 -19.3303 -72.5877 92.4061 -72.5881 -148.769 -147.55 92.4055 -147.55 -54.1126 GPRESSURE: 1014400 50.6139 -56.5435 110.268 -115.138 -105.791 -180.29 59.6217 -145.938 -69.2215 PRESSAVG: 1014400 10.8302 23.971 -32.2768 23.971 -18.4551 -78.7088 -32.2769 -78.7088 9.11016 GPRESSAVG: 1014400 11.7942 25.2816 -33.5363 23.8461 -18.2733 -78.1999 -32.429 -80.08 8.24479 TIMING: 1014400 CPU: 3009.1, 0.00296996/step Wall: 3009.1, 0.00296996/step, 3.28808 hours remaining, 207.613281 MB of memory in use. ENERGY: 1014400 810.6624 2072.4045 1951.2702 114.1563 -205892.3360 17833.5272 0.0000 0.0000 34173.7897 -148936.5257 298.4482 -183110.3154 -148842.0167 299.6980 -74.0705 -41.4662 557570.6678 0.4951 0.5886 PRESSURE: 1014600 -129.903 -52.7914 100.795 -52.7919 -158.316 49.7334 100.795 49.7329 -50.5609 GPRESSURE: 1014600 -75.6625 -52.9802 106.53 -69.7119 -184.532 40.6465 49.6349 60.8662 8.75031 PRESSAVG: 1014600 -22.6635 3.58971 40.4951 3.5897 -11.6437 -10.7915 40.4951 -10.7915 -5.05882 GPRESSAVG: 1014600 -22.814 3.84681 38.6243 2.29686 -12.1297 -12.6895 41.9085 -10.43 -4.62344 TIMING: 1014600 CPU: 3009.7, 0.0029652/step Wall: 3009.7, 0.0029652/step, 3.28264 hours remaining, 207.613281 MB of memory in use. ENERGY: 1014600 775.6800 2101.2399 1944.4863 128.7524 -205843.0873 17594.6438 0.0000 0.0000 34389.8380 -148908.4468 300.3350 -183298.2849 -148811.3817 299.4055 -112.9266 -83.8148 559103.9740 -13.1220 -13.1890 PRESSURE: 1014800 -59.8004 -8.52598 4.83146 -8.52476 -144.385 -167.278 4.82897 -167.277 -91.9179 GPRESSURE: 1014800 -62.3409 -80.8231 28.1027 -0.877394 -105.598 -191.534 16.1727 -179.074 -31.9811 PRESSAVG: 1014800 2.67792 3.92706 -10.2517 3.92706 -31.3836 -21.2874 -10.2517 -21.2874 59.514 GPRESSAVG: 1014800 1.94252 5.31377 -10.2186 2.75049 -32.6646 -19.6888 -11.6473 -23.6763 60.9987 TIMING: 1014800 CPU: 3010.3, 0.00300817/step Wall: 3010.3, 0.00300817/step, 3.33004 hours remaining, 207.613281 MB of memory in use. ENERGY: 1014800 788.6752 2105.4391 1960.9838 105.9297 -205943.1362 17777.8751 0.0000 0.0000 34359.4788 -148844.7546 300.0699 -183204.2334 -148751.2709 300.3976 -98.7010 -66.6402 559435.9437 10.2694 10.0922 PRESSURE: 1015000 -156.41 -66.6542 153.616 -66.6529 -277.106 83.8513 153.616 83.8515 -112.853 GPRESSURE: 1015000 -150.635 -106.54 90.4561 -72.7803 -271.085 137.873 152.813 32.2475 -42.7859 PRESSAVG: 1015000 41.4876 -13.141 31.1029 -13.141 9.21286 57.9031 31.1029 57.9031 -10.7043 GPRESSAVG: 1015000 41.1639 -14.6435 32.3093 -11.8631 10.4011 56.7299 31.0602 60.0943 -11.4357 TIMING: 1015000 CPU: 3010.89, 0.00298205/step Wall: 3010.89, 0.00298205/step, 3.30096 hours remaining, 207.613281 MB of memory in use. ENERGY: 1015000 773.1725 2108.1717 1951.7474 105.6760 -205672.5072 17536.0284 0.0000 0.0000 34294.1233 -148903.5878 299.4991 -183197.7111 -148803.8281 299.9797 -182.1232 -154.8351 558158.9838 13.3320 13.3764 PRESSURE: 1015200 -99.7307 26.8522 15.5985 26.8507 -79.8838 74.7824 15.5987 74.7828 395.165 GPRESSURE: 1015200 -67.7619 -3.21509 -30.1119 -0.916042 -21.5228 81.0978 -8.73211 47.757 403.497 PRESSAVG: 1015200 -14.6162 -7.30153 -2.97751 -7.30156 21.3782 4.1252 -2.97752 4.12519 8.12385 GPRESSAVG: 1015200 -14.4724 -7.08654 -4.65046 -7.41263 20.4997 3.00448 -1.53362 3.44275 8.68336 TIMING: 1015200 CPU: 3011.49, 0.00297295/step Wall: 3011.49, 0.00297295/step, 3.29073 hours remaining, 207.613281 MB of memory in use. ENERGY: 1015200 745.8196 2049.3534 1933.4389 116.5295 -206266.8125 17932.5827 0.0000 0.0000 34464.3455 -149024.7430 300.9857 -183489.0884 -148923.3800 299.7728 71.8500 104.7374 557077.0833 4.9619 4.9036 PRESSURE: 1015400 190.586 -200.377 46.951 -200.376 37.4521 105.329 46.9502 105.329 175.085 GPRESSURE: 1015400 204.591 -133.001 -68.4877 -254.347 37.5554 83.5353 106.667 31.4037 245.333 PRESSAVG: 1015400 -46.7447 17.6581 -11.9806 17.6581 50.9002 17.7627 -11.9806 17.7626 1.87017 GPRESSAVG: 1015400 -46.7988 19.0881 -11.382 18.0331 50.6243 17.9425 -12.8613 16.8322 1.88278 TIMING: 1015400 CPU: 3012.08, 0.00295431/step Wall: 3012.08, 0.00295431/step, 3.26993 hours remaining, 207.613281 MB of memory in use. ENERGY: 1015400 742.2135 2008.8054 1972.4330 125.3855 -206226.9770 18103.5813 0.0000 0.0000 34175.8995 -149098.6588 298.4666 -183274.5583 -149003.2577 300.2360 134.3743 162.4929 557237.7515 2.0085 1.9028 PRESSURE: 1015600 -68.1131 -135.346 -34.3872 -135.347 -68.5133 -0.763633 -34.3867 -0.76303 -127.895 GPRESSURE: 1015600 -22.4245 -107.593 -67.1979 -138.644 -63.6789 -8.88845 4.27331 -14.5583 -88.2943 PRESSAVG: 1015600 -33.9911 2.86551 -38.342 2.86556 -15.6078 1.39853 -38.3419 1.39854 30.6484 GPRESSAVG: 1015600 -34.8665 1.10989 -38.9961 3.17726 -14.8919 2.4765 -38.0993 1.23882 30.2033 TIMING: 1015600 CPU: 3012.67, 0.00296878/step Wall: 3012.67, 0.00296878/step, 3.28578 hours remaining, 207.613281 MB of memory in use. ENERGY: 1015600 753.2072 2052.1042 1944.7802 107.0554 -206037.8523 17627.0276 0.0000 0.0000 34562.3331 -148991.3447 301.8415 -183553.6778 -148892.4847 299.8165 -88.1738 -58.1326 557685.3318 -6.3169 -6.5184 PRESSURE: 1015800 -122.382 82.7774 120.598 82.778 -347.876 2.46493 120.598 2.46669 -331.64 GPRESSURE: 1015800 -114.452 136.776 96.547 142.459 -205.301 46.3236 128.951 -78.5346 -383.898 PRESSAVG: 1015800 28.4191 12.2848 -6.84016 12.2848 55.3149 -60.0086 -6.8401 -60.0086 -31.2846 GPRESSAVG: 1015800 29.423 13.0375 -7.28086 11.5612 55.0444 -60.1014 -5.94633 -60.2316 -31.5962 TIMING: 1015800 CPU: 3013.26, 0.00296008/step Wall: 3013.26, 0.00296008/step, 3.27599 hours remaining, 207.613281 MB of memory in use. ENERGY: 1015800 738.4068 2087.7971 1960.0852 107.9991 -205693.4615 17408.3522 0.0000 0.0000 34223.7600 -149167.0612 298.8846 -183390.8213 -149064.6054 299.5820 -267.2995 -234.5503 557599.4318 17.4831 17.6237 PRESSURE: 1016000 -73.3675 -6.06571 6.64393 -6.06555 -49.9217 -100.536 6.64255 -100.536 -79.2423 GPRESSURE: 1016000 -13.9838 12.1969 -32.6661 54.8135 13.7174 -149.976 55.0347 -123.949 -103.236 PRESSAVG: 1016000 16.8574 18.249 -7.83732 18.2489 -16.0675 2.4167 -7.83748 2.4167 -15.6795 GPRESSAVG: 1016000 15.5313 18.278 -7.13503 17.977 -15.9119 2.38626 -8.15827 3.48357 -14.6074 TIMING: 1016000 CPU: 3013.86, 0.00297478/step Wall: 3013.86, 0.00297478/step, 3.29209 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: 1016000 764.6399 2048.6451 1944.6799 106.4307 -206143.3923 17717.2521 0.0000 0.0000 34371.8240 -149189.9205 300.1777 -183561.7445 -149090.5307 299.4536 -67.5105 -34.5007 556439.8667 -4.9632 -4.9960 PRESSURE: 1016200 12.6784 -152.221 189.86 -152.222 163.176 98.9089 189.861 98.9087 160.405 GPRESSURE: 1016200 52.1252 -133.829 174.385 -145.775 178.837 11.2136 218.085 157.185 204.277 PRESSAVG: 1016200 36.4782 33.3372 66.824 33.3371 -24.7768 10.7958 66.824 10.7957 -15.8239 GPRESSAVG: 1016200 36.7088 35.8765 65.7621 31.8309 -24.5619 10.1829 67.7174 11.3512 -16.7672 TIMING: 1016200 CPU: 3014.45, 0.00296693/step Wall: 3014.45, 0.00296693/step, 3.28324 hours remaining, 207.613281 MB of memory in use. ENERGY: 1016200 769.4926 2088.2636 1914.4645 113.1288 -206483.5551 17971.5620 0.0000 0.0000 34289.0316 -149337.6120 299.4546 -183626.6437 -149242.4167 299.5062 112.0864 145.0796 554883.4825 -1.3742 -1.5401 LDB: ============= START OF LOAD BALANCING ============== 3017.88 LDB: ============== END OF LOAD BALANCING =============== 3017.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3017.88 LDB: ============= START OF LOAD BALANCING ============== 3018.18 LDB: Largest compute 4848 load 0.030563 is 25.9% of average load 0.117884 LDB: Average compute 0.001748 is 1.5% of average load 0.117884 LDB: TIME 3018.18 LOAD: AVG 0.117884 MAX 0.196507 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.156 MB LDB: TIME 3018.18 LOAD: AVG 0.117884 MAX 0.196507 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.359 MB LDB: TIME 3018.18 LOAD: AVG 0.117884 MAX 0.196507 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3018.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3018.19 PRESSURE: 1016400 -56.0511 137.315 -45.9639 137.315 -82.0262 25.395 -45.9645 25.3959 -259.293 GPRESSURE: 1016400 -47.4678 78.861 6.67907 179.465 -69.574 -51.5607 -27.5818 127.937 -179.061 PRESSAVG: 1016400 -0.211791 54.6859 17.7561 54.6858 53.1356 55.907 17.7561 55.907 -30.8986 GPRESSAVG: 1016400 -0.596311 51.8342 21.0151 57.589 53.1724 55.2039 15.1782 54.9923 -29.7878 TIMING: 1016400 CPU: 3015.06, 0.00303916/step Wall: 3015.06, 0.00303916/step, 3.363 hours remaining, 206.496094 MB of memory in use. ENERGY: 1016400 760.1093 2084.2874 1949.2561 112.2323 -206185.7991 17815.1017 0.0000 0.0000 34079.4140 -149385.3984 297.6240 -183464.8124 -149294.1737 298.9169 -132.4569 -98.7008 557376.0611 7.3417 7.5961 PRESSURE: 1016600 -123.549 86.0726 99.9899 86.073 37.8769 5.3709 99.9912 5.37129 -115.802 GPRESSURE: 1016600 -165.162 -12.084 167.044 113.418 115.708 -46.1765 66.2457 81.1057 -62.8121 PRESSAVG: 1016600 -6.98379 22.1876 62.892 22.1877 62.4408 -5.79177 62.892 -5.7918 24.3772 GPRESSAVG: 1016600 -8.60577 21.1551 61.7283 22.0532 63.6009 -2.84199 65.5079 -5.78742 24.2424 TIMING: 1016600 CPU: 3015.65, 0.00295039/step Wall: 3015.65, 0.00295039/step, 3.2646 hours remaining, 206.695312 MB of memory in use. ENERGY: 1016600 741.2440 2099.8651 1954.3748 113.7155 -206310.1966 17772.8076 0.0000 0.0000 34273.9784 -149354.2112 299.3232 -183628.1896 -149259.3903 299.0721 -67.1581 -37.4222 557205.1477 26.6114 26.4125 PRESSURE: 1016800 277.144 231.44 120.659 231.438 -214.964 -44.9904 120.659 -44.99 -71.7236 GPRESSURE: 1016800 267.238 149.969 97.7493 191.413 -154.36 -77.6876 159.224 -39.4649 -27.3378 PRESSAVG: 1016800 -27.1345 36.018 10.5698 36.018 -33.7062 52.8352 10.5697 52.8351 32.2612 GPRESSAVG: 1016800 -25.6349 37.7633 11.966 34.6218 -33.1825 51.227 6.99357 54.7439 30.361 TIMING: 1016800 CPU: 3016.24, 0.00294031/step Wall: 3016.24, 0.00294031/step, 3.25329 hours remaining, 206.695312 MB of memory in use. ENERGY: 1016800 764.5848 2097.9810 1947.3535 118.1162 -206626.2382 18004.7897 0.0000 0.0000 34349.5469 -149343.8660 299.9831 -183693.4129 -149245.3732 298.9054 -3.1811 28.5131 558610.1522 -9.5265 -9.4854 PRESSURE: 1017000 99.9911 96.7126 61.4197 96.7122 13.5232 -227.798 61.4204 -227.8 -74.152 GPRESSURE: 1017000 99.7789 72.2915 64.315 171.04 114.908 -241.918 37.5429 -145.61 -76.4576 PRESSAVG: 1017000 31.2182 -11.1407 -6.81519 -11.1407 -37.6803 16.2018 -6.81521 16.2019 16.348 GPRESSAVG: 1017000 32.9861 -10.8543 -5.65374 -9.94027 -38.8823 14.8059 -6.8847 15.4749 15.5462 TIMING: 1017000 CPU: 3016.83, 0.00293466/step Wall: 3016.83, 0.00293466/step, 3.24687 hours remaining, 206.695312 MB of memory in use. ENERGY: 1017000 749.7418 2144.6377 1937.1942 117.4249 -206621.8981 18043.8986 0.0000 0.0000 34362.6571 -149266.3438 300.0976 -183629.0008 -149172.1461 299.4038 13.1207 46.0763 557957.0072 3.2953 3.2166 PRESSURE: 1017200 -25.6858 -51.788 104.917 -51.7874 -91.5106 -229.087 104.915 -229.086 -206.16 GPRESSURE: 1017200 17.984 46.0328 156.737 -75.3759 -74.9856 -181.284 55.3073 -339.171 -175.318 PRESSAVG: 1017200 40.5441 46.2782 17.9944 46.2782 -1.99089 -4.44317 17.9944 -4.4431 -34.0982 GPRESSAVG: 1017200 39.6994 45.1927 16.4149 46.1837 -1.90037 -1.92846 19.5363 -5.11598 -33.4849 TIMING: 1017200 CPU: 3017.41, 0.00293988/step Wall: 3017.41, 0.00293988/step, 3.25248 hours remaining, 206.695312 MB of memory in use. ENERGY: 1017200 778.3527 2107.1987 1931.6698 104.6088 -206419.6607 17845.7325 0.0000 0.0000 34219.2310 -149432.8672 298.8451 -183652.0982 -149338.5146 299.5833 -107.7854 -77.4397 557164.1369 1.4850 1.4380 PRESSURE: 1017400 -26.4193 -17.9483 -1.16613 -17.9476 -22.7038 -146.609 -1.16644 -146.608 119.548 GPRESSURE: 1017400 35.6833 18.5544 -165.017 -20.4643 -22.6659 -210.211 93.3031 -80.7545 153.238 PRESSAVG: 1017400 -25.0998 0.891814 45.8653 0.891765 7.42532 -21.4051 45.8653 -21.4051 32.954 GPRESSAVG: 1017400 -25.0731 2.69045 45.328 1.125 6.66958 -23.6798 47.8838 -20.3126 33.1265 TIMING: 1017400 CPU: 3018, 0.0029497/step Wall: 3018, 0.0029497/step, 3.26318 hours remaining, 206.695312 MB of memory in use. ENERGY: 1017400 725.3013 2106.0372 1945.0149 107.9073 -206033.1867 17726.2228 0.0000 0.0000 34253.5169 -149169.1863 299.1445 -183422.7032 -149070.7828 298.8987 23.4751 55.4185 557696.3188 5.0932 4.9077 PRESSURE: 1017600 65.6282 15.1807 -106.626 15.1798 24.252 -81.589 -106.626 -81.5903 121.953 GPRESSURE: 1017600 81.7975 -3.88696 -101.744 -84.7049 88.7319 -113.836 -104.71 -43.4037 132.851 PRESSAVG: 1017600 -19.3873 40.1565 58.659 40.1565 -49.0965 -25.672 58.659 -25.6721 61.4659 GPRESSAVG: 1017600 -20.0112 37.8533 58.5618 41.2973 -48.3956 -25.168 56.8034 -25.0632 61.7465 TIMING: 1017600 CPU: 3018.59, 0.00294226/step Wall: 3018.59, 0.00294226/step, 3.25479 hours remaining, 206.695312 MB of memory in use. ENERGY: 1017600 757.1710 2097.6183 1942.8052 111.7805 -206180.2630 17830.6173 0.0000 0.0000 34391.9928 -149048.2778 300.3538 -183440.2706 -148953.0365 299.2482 70.6109 101.1267 558139.8559 -2.3393 -2.2201 PRESSURE: 1017800 101.442 147.51 -10.2033 147.511 -163.412 173.394 -10.2036 173.394 10.546 GPRESSURE: 1017800 98.1998 166.569 -47.5661 134.389 -87.6243 133.014 -40.1192 183.619 40.7854 PRESSAVG: 1017800 -23.7573 10.2696 9.56124 10.2696 -38.8939 -15.9045 9.56123 -15.9046 70.3452 GPRESSAVG: 1017800 -23.5874 11.9158 10.6657 7.12025 -38.8531 -18.0363 8.94752 -16.7969 70.0803 TIMING: 1017800 CPU: 3019.18, 0.00294355/step Wall: 3019.18, 0.00294355/step, 3.25605 hours remaining, 206.695312 MB of memory in use. ENERGY: 1017800 745.2300 2107.0164 1932.5695 117.8375 -206386.9519 17906.4507 0.0000 0.0000 34427.1213 -149150.7264 300.6606 -183577.8477 -149052.2297 300.0838 -17.1414 17.1203 558029.1521 2.5646 2.5466 PRESSURE: 1018000 -85.9191 43.112 -50.1024 43.1119 36.9557 133.092 -50.1031 133.093 -67.4416 GPRESSURE: 1018000 -49.807 47.7895 93.366 52.1003 41.6304 10.7878 -71.889 61.5684 -18.6223 PRESSAVG: 1018000 18.5832 -32.7245 32.5474 -32.7244 -70.2017 -35.4268 32.5474 -35.427 34.5628 GPRESSAVG: 1018000 18.6043 -30.8548 33.4612 -33.2061 -71.5873 -33.8581 31.4678 -35.9217 35.5441 TIMING: 1018000 CPU: 3019.77, 0.00295987/step Wall: 3019.77, 0.00295987/step, 3.27395 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: 1018000 735.7649 2125.6333 1942.1280 99.9624 -206077.0037 17629.9607 0.0000 0.0000 34463.8007 -149079.7537 300.9809 -183543.5543 -148975.4206 299.7439 -38.8017 -8.9329 557123.2820 -5.6852 -5.8130 PRESSURE: 1018200 45.042 98.9931 59.3363 98.9935 42.4138 83.8811 59.3355 83.8799 -35.4547 GPRESSURE: 1018200 112.022 146.35 41.1863 56.9409 84.6025 37.3195 73.096 23.398 -57.8649 PRESSAVG: 1018200 52.5118 45.5284 38.2075 45.5284 7.38307 67.9939 38.2076 67.9939 21.8847 GPRESSAVG: 1018200 52.6137 41.2243 37.3175 47.9603 7.14872 69.4188 38.6891 67.6173 21.4884 TIMING: 1018200 CPU: 3020.37, 0.0029761/step Wall: 3020.37, 0.0029761/step, 3.29173 hours remaining, 206.695312 MB of memory in use. ENERGY: 1018200 757.4662 2126.2000 1930.1533 108.1598 -206082.2574 17766.7315 0.0000 0.0000 34300.2127 -149093.3340 299.5523 -183393.5466 -148991.8335 299.9932 17.3337 46.2532 556256.8165 27.2598 27.0836 PRESSURE: 1018400 128.435 44.1303 -134.655 44.1298 -149.542 -31.5435 -134.654 -31.5432 318.702 GPRESSURE: 1018400 174.373 5.6615 -82.3253 71.0594 -93.3487 -78.4031 -97.5661 -32.4576 322.589 PRESSAVG: 1018400 51.4574 20.1532 -53.5192 20.1531 -71.6815 -17.7454 -53.5191 -17.7454 33.7585 GPRESSAVG: 1018400 50.6047 23.1062 -54.8732 21.0274 -71.0977 -18.0449 -53.861 -17.1858 33.6305 TIMING: 1018400 CPU: 3020.96, 0.00296217/step Wall: 3020.96, 0.00296217/step, 3.27616 hours remaining, 206.695312 MB of memory in use. ENERGY: 1018400 705.4701 2148.8769 1926.7349 111.4786 -205857.2020 17616.4920 0.0000 0.0000 34268.2324 -149079.9171 299.2730 -183348.1495 -148976.5821 299.6173 99.1984 134.5379 556637.4770 4.5115 4.3792 PRESSURE: 1018600 -94.7267 -117.884 28.8915 -117.884 -198.348 167.907 28.8915 167.904 -109.383 GPRESSURE: 1018600 -97.0056 -92.1957 20.2875 -93.6176 -127.226 177.477 34.3441 132.368 -65.8341 PRESSAVG: 1018600 48.7378 -12.3932 24.9696 -12.3932 -60.1561 48.7581 24.9698 48.758 13.1427 GPRESSAVG: 1018600 48.7254 -13.1991 27.7978 -12.2473 -60.9116 48.0708 24.6865 49.7608 13.2463 TIMING: 1018600 CPU: 3021.55, 0.0029706/step Wall: 3021.55, 0.0029706/step, 3.28532 hours remaining, 206.695312 MB of memory in use. ENERGY: 1018600 738.0337 2034.1397 1939.2802 110.7541 -205961.6166 17650.7603 0.0000 0.0000 34470.2536 -149018.3950 301.0373 -183488.6486 -148912.5525 300.3649 -134.1526 -96.6886 557668.5004 0.5748 0.3534 PRESSURE: 1018800 -177.392 -18.4859 255.278 -18.4865 -547.595 -44.2494 255.279 -44.2507 106.754 GPRESSURE: 1018800 -113.611 15.2991 234.322 -9.51053 -477.759 -35.1791 243.168 -44.7747 67.6297 PRESSAVG: 1018800 62.3819 23.8502 37.9608 23.8502 -74.5871 24.9257 37.9607 24.9256 25.067 GPRESSAVG: 1018800 63.3286 20.8547 36.6353 25.655 -74.924 24.3742 38.1658 25.6622 24.6564 TIMING: 1018800 CPU: 3022.15, 0.00296755/step Wall: 3022.15, 0.00296755/step, 3.28178 hours remaining, 206.695312 MB of memory in use. ENERGY: 1018800 740.8998 2101.1294 1930.0353 101.1574 -205882.2948 17419.4330 0.0000 0.0000 34356.3213 -149233.3186 300.0423 -183589.6399 -149129.9396 299.6877 -206.0775 -174.5798 557454.5727 4.2873 4.3537 PRESSURE: 1019000 37.2211 44.6226 -7.00784 44.6212 55.4238 132.059 -7.00805 132.059 151.564 GPRESSURE: 1019000 57.6214 -2.54687 -19.4989 -19.9223 75.9746 43.8928 -75.6861 192.471 224.249 PRESSAVG: 1019000 -18.9284 28.2458 -21.668 28.2456 -6.87584 -6.08765 -21.6679 -6.08766 8.61624 GPRESSAVG: 1019000 -19.2895 32.1423 -22.0036 27.1158 -7.35102 -5.18508 -22.8986 -8.59115 9.96027 TIMING: 1019000 CPU: 3022.74, 0.00297196/step Wall: 3022.74, 0.00297196/step, 3.28649 hours remaining, 206.695312 MB of memory in use. ENERGY: 1019000 768.3241 2087.6057 1952.6526 105.6827 -206499.7603 17903.8206 0.0000 0.0000 34302.8113 -149378.8634 299.5750 -183681.6747 -149279.4165 299.3127 81.4030 119.2817 556262.2403 -5.7293 -5.5601 PRESSURE: 1019200 0.963741 -11.5703 -134.084 -11.5709 -387.737 -86.9422 -134.085 -86.9407 -125.767 GPRESSURE: 1019200 20.0734 29.0113 -163.568 -22.8462 -300.53 -84.731 -129.32 -78.0024 -136.706 PRESSAVG: 1019200 -29.1481 -10.2639 -84.6435 -10.264 -16.9068 6.86909 -84.6435 6.86904 18.5113 GPRESSAVG: 1019200 -30.6839 -11.3416 -84.9016 -13.0541 -14.283 7.39789 -84.4803 6.92929 17.9242 TIMING: 1019200 CPU: 3023.34, 0.00296736/step Wall: 3023.34, 0.00296736/step, 3.28124 hours remaining, 206.695312 MB of memory in use. ENERGY: 1019200 748.1911 2081.2160 1941.0458 114.0417 -205840.6901 17553.0771 0.0000 0.0000 34095.5504 -149307.5679 297.7649 -183403.1183 -149210.5164 299.6531 -170.8465 -139.0542 558728.6941 -9.1812 -9.0142 PRESSURE: 1019400 -177.84 10.7638 -100.883 10.7645 -54.707 -62.4763 -100.883 -62.4756 -70.5313 GPRESSURE: 1019400 -97.7592 -36.7315 -37.1184 28.6653 -60.7531 -54.0557 -190.05 -72.0156 -49.9745 PRESSAVG: 1019400 -63.9273 -17.9848 -45.7172 -17.9847 64.3338 -6.82236 -45.7172 -6.82239 9.05088 GPRESSAVG: 1019400 -62.8506 -17.1942 -46.2684 -18.6829 64.2291 -7.00037 -45.4205 -6.78367 8.4306 TIMING: 1019400 CPU: 3023.93, 0.00297297/step Wall: 3023.93, 0.00297297/step, 3.28728 hours remaining, 206.695312 MB of memory in use. ENERGY: 1019400 737.5934 2132.0353 1935.8389 107.7527 -206065.4612 17561.2364 0.0000 0.0000 34138.0518 -149452.9526 298.1361 -183591.0044 -149357.8185 298.4359 -101.0263 -69.4956 557757.2743 3.1525 3.2697 PRESSURE: 1019600 33.9174 -83.2387 -106.33 -83.2391 -113.71 -74.1023 -106.331 -74.1031 131.737 GPRESSURE: 1019600 26.1827 -132.804 -14.7179 31.5647 -32.0698 -96.4088 -106.606 -128.018 166.421 PRESSAVG: 1019600 -32.6177 -16.3936 -3.5738 -16.3936 35.4666 -88.0669 -3.57381 -88.0668 -1.09033 GPRESSAVG: 1019600 -32.6947 -17.7565 -2.36541 -13.8876 33.6126 -89.0318 -5.78423 -85.2752 0.81664 TIMING: 1019600 CPU: 3024.52, 0.00294264/step Wall: 3024.52, 0.00294264/step, 3.25358 hours remaining, 206.695312 MB of memory in use. ENERGY: 1019600 762.0653 2109.7643 1933.7612 112.6868 -206149.2320 17837.0006 0.0000 0.0000 33900.9192 -149493.0347 296.0652 -183393.9538 -149400.6165 297.8154 17.3151 53.5111 557263.6541 0.5862 0.5782 PRESSURE: 1019800 114.196 75.4652 -157.517 75.4645 224.674 67.5029 -157.517 67.503 65.6992 GPRESSURE: 1019800 161.227 55.8789 -147.42 80.6873 302.992 -7.13299 -139 136.613 42.0221 PRESSAVG: 1019800 -45.5136 22.2072 -11.8084 22.2072 78.4522 -63.728 -11.8084 -63.7279 -39.1029 GPRESSAVG: 1019800 -44.7664 22.9361 -10.5822 19.0038 78.73 -62.2821 -12.0749 -64.8468 -39.9921 TIMING: 1019800 CPU: 3025.11, 0.00293992/step Wall: 3025.11, 0.00293992/step, 3.2504 hours remaining, 206.695312 MB of memory in use. ENERGY: 1019800 726.6080 2024.0069 1960.3010 117.8447 -206410.7548 17934.4810 0.0000 0.0000 34305.3143 -149342.1988 299.5968 -183647.5131 -149255.9049 298.0837 134.8566 168.7470 557086.2793 -2.0548 -2.0095 PRESSURE: 1020000 -142.467 -70.2207 21.8131 -70.2216 -52.9127 55.1386 21.8131 55.1403 -272.842 GPRESSURE: 1020000 -138.974 -105.01 -28.7541 37.6879 43.6783 -20.0781 39.6857 95.9775 -265.847 PRESSAVG: 1020000 -27.9842 -21.6511 11.9202 -21.6511 43.4908 4.70213 11.9202 4.70209 -11.6275 GPRESSAVG: 1020000 -29.4074 -22.9133 10.419 -19.7769 44.7051 5.91273 15.6309 4.63791 -11.788 TIMING: 1020000 CPU: 3025.7, 0.0029594/step Wall: 3025.7, 0.0029594/step, 3.27178 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: 1020000 735.2588 2073.5181 1938.8055 106.0143 -205970.7990 17549.4568 0.0000 0.0000 34209.0009 -149358.7447 298.7557 -183567.7456 -149258.6007 298.8541 -156.0738 -120.3809 558923.5244 1.2930 1.1699 PRESSURE: 1020200 119.503 26.389 -56.9448 26.3896 -19.4376 -82.2042 -56.9457 -82.2047 20.2575 GPRESSURE: 1020200 156.169 43.0514 -5.76848 84.6017 44.6075 31.6039 -33.0778 -156.515 20.0248 PRESSAVG: 1020200 20.1513 34.4731 86.5845 34.4732 23.2969 -15.138 86.5846 -15.138 -36.1593 GPRESSAVG: 1020200 20.2322 35.3829 87.0155 35.8771 23.9952 -15.0571 84.9825 -15.5892 -37.3989 TIMING: 1020200 CPU: 3026.29, 0.0029432/step Wall: 3026.29, 0.0029432/step, 3.2537 hours remaining, 206.695312 MB of memory in use. ENERGY: 1020200 753.4193 2041.1631 1941.1972 108.3791 -206761.3887 18135.7318 0.0000 0.0000 34340.2586 -149441.2395 299.9020 -183781.4981 -149338.8050 298.4196 40.1075 73.6003 558315.4317 2.4296 2.2762 LDB: ============= START OF LOAD BALANCING ============== 3029.72 LDB: ============== END OF LOAD BALANCING =============== 3029.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3029.72 LDB: ============= START OF LOAD BALANCING ============== 3030.01 LDB: Largest compute 4848 load 0.030975 is 26.3% of average load 0.117877 LDB: Average compute 0.001748 is 1.5% of average load 0.117877 LDB: TIME 3030.01 LOAD: AVG 0.117877 MAX 0.195385 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 3030.01 LOAD: AVG 0.117877 MAX 0.195385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: TIME 3030.01 LOAD: AVG 0.117877 MAX 0.195385 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: ============== END OF LOAD BALANCING =============== 3030.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3030.02 PRESSURE: 1020400 58.0248 17.7895 -41.071 17.7902 274.766 20.9729 -41.0703 20.973 -115.877 GPRESSURE: 1020400 68.6394 10.9276 -6.44371 50.7315 298.101 92.3942 -88.7981 5.51923 -50.1095 PRESSAVG: 1020400 77.81 38.0935 -26.2095 38.0935 16.672 18.6707 -26.2095 18.6707 -37.4688 GPRESSAVG: 1020400 78.5128 37.823 -26.9458 37.3463 15.5319 19.2991 -25.1027 17.5414 -36.6444 TIMING: 1020400 CPU: 3026.89, 0.00301419/step Wall: 3026.89, 0.00301419/step, 3.33201 hours remaining, 205.425781 MB of memory in use. ENERGY: 1020400 735.4618 2036.7542 1963.0174 133.3079 -206407.8370 18004.1828 0.0000 0.0000 34228.7253 -149306.3875 298.9280 -183535.1128 -149209.9496 298.4855 72.3045 105.5435 557697.9638 19.0044 19.1334 PRESSURE: 1020600 -301.626 -76.518 -158.731 -76.5177 156.951 -95.2741 -158.732 -95.273 -7.05409 GPRESSURE: 1020600 -275.457 -2.14927 -75.661 -110.442 196.01 -129.127 -186.789 -78.3885 22.5018 PRESSAVG: 1020600 -39.2242 31.7898 -1.20319 31.7898 15.5841 -18.0325 -1.20328 -18.0325 10.61 GPRESSAVG: 1020600 -41.0384 33.7695 -1.77812 31.3315 15.4941 -19.6409 -1.87896 -15.2791 11.5176 TIMING: 1020600 CPU: 3027.48, 0.00293485/step Wall: 3027.48, 0.00293485/step, 3.24415 hours remaining, 205.425781 MB of memory in use. ENERGY: 1020600 770.9974 2035.2368 1934.3594 113.2211 -206020.3303 17684.2660 0.0000 0.0000 34369.0369 -149113.2126 300.1533 -183482.2495 -149015.9927 299.5052 -50.5764 -18.9817 557727.4406 -4.3434 -4.6756 PRESSURE: 1020800 -129.074 -4.54719 78.1222 -4.54445 56.8958 159.979 78.1222 159.98 39.2531 GPRESSURE: 1020800 -63.1547 -82.1987 65.0415 75.5605 23.1102 105.42 80.1368 134.286 112.291 PRESSAVG: 1020800 -18.2688 16.1258 29.0052 16.1258 35.4615 26.0681 29.0052 26.0683 -17.5667 GPRESSAVG: 1020800 -17.3693 15.2624 29.9442 16.6984 34.7166 26.9304 28.54 22.3629 -18.0574 TIMING: 1020800 CPU: 3028.07, 0.00293989/step Wall: 3028.07, 0.00293989/step, 3.24955 hours remaining, 205.425781 MB of memory in use. ENERGY: 1020800 763.5641 2101.4235 1980.6748 123.9772 -206130.7435 17882.7418 0.0000 0.0000 34185.5135 -149092.8487 298.5506 -183278.3622 -149002.8842 299.3714 -10.9750 24.0822 558143.1772 -0.1247 -0.2367 PRESSURE: 1021000 54.1413 45.4712 -30.1548 45.4719 -17.4723 -47.8221 -30.1541 -47.8235 -46.5984 GPRESSURE: 1021000 35.4462 73.5084 -94.6773 20.3529 74.1036 -83.9052 20.2563 -54.7273 -12.9304 PRESSAVG: 1021000 -37.4658 14.368 15.5431 14.368 -32.3967 -52.8401 15.5431 -52.8401 49.6466 GPRESSAVG: 1021000 -37.2272 12.3953 15.0784 14.4253 -32.3821 -54.4345 17.3483 -49.5572 49.5577 TIMING: 1021000 CPU: 3028.66, 0.00299316/step Wall: 3028.66, 0.00299316/step, 3.30828 hours remaining, 205.425781 MB of memory in use. ENERGY: 1021000 788.5273 2060.3207 1943.1050 113.4859 -206141.8542 17999.1233 0.0000 0.0000 34114.0704 -149123.2215 297.9267 -183237.2919 -149023.6715 299.6366 -3.3098 32.2065 559917.2680 -6.7386 -6.6839 PRESSURE: 1021200 -7.61056 -63.9783 145.874 -63.9787 -193.999 -38.7948 145.875 -38.7944 -54.5788 GPRESSURE: 1021200 27.8896 -25.2802 197.834 -32.317 -185.504 -50.6981 146.019 -47.4569 -0.672659 PRESSAVG: 1021200 57.0516 -81.8356 42.5319 -81.8356 -12.5718 19.8063 42.5319 19.8063 14.2534 GPRESSAVG: 1021200 56.7968 -82.2539 44.118 -80.4099 -12.7426 19.0284 39.552 19.2344 14.7773 TIMING: 1021200 CPU: 3029.26, 0.00299724/step Wall: 3029.26, 0.00299724/step, 3.31261 hours remaining, 205.425781 MB of memory in use. ENERGY: 1021200 759.0634 2108.3588 1958.2085 105.3083 -206037.0183 17776.4619 0.0000 0.0000 34236.0467 -149093.5707 298.9919 -183329.6174 -148997.8980 299.2914 -85.3962 -52.7624 559032.7612 19.5777 19.6105 PRESSURE: 1021400 -101.135 210.846 -76.3979 210.847 143.12 -12.536 -76.3966 -12.5367 207.783 GPRESSURE: 1021400 -72.0213 195.574 -33.6336 227.808 236.457 -15.7429 -26.7461 18.8105 185.814 PRESSAVG: 1021400 -1.2507 44.6663 40.4524 44.6664 -2.63256 18.5849 40.4525 18.585 36.2309 GPRESSAVG: 1021400 -0.909534 47.1736 38.0538 43.3774 -2.72767 19.4209 43.3096 17.4891 35.8567 TIMING: 1021400 CPU: 3029.85, 0.00295615/step Wall: 3029.85, 0.00295615/step, 3.26703 hours remaining, 205.425781 MB of memory in use. ENERGY: 1021400 725.6888 2104.7766 1990.4839 110.0773 -206234.5790 17919.1727 0.0000 0.0000 34223.1008 -149161.2790 298.8789 -183384.3798 -149066.1421 298.8034 83.2560 116.7499 556324.5064 10.7826 10.7398 PRESSURE: 1021600 228.864 -208.395 -192.941 -208.395 -214.608 -141.927 -192.941 -141.929 192.478 GPRESSURE: 1021600 279.896 -171.552 -121.492 -244.525 -175.285 -121.748 -309.5 -178.612 202.99 PRESSAVG: 1021600 42.0175 45.3881 -29.6515 45.3882 -60.6155 -16.6323 -29.6515 -16.6323 55.6423 GPRESSAVG: 1021600 42.283 46.6062 -29.1352 44.3113 -60.3137 -18.4062 -29.4905 -15.7172 55.3707 TIMING: 1021600 CPU: 3030.45, 0.00295935/step Wall: 3030.45, 0.00295935/step, 3.27041 hours remaining, 205.425781 MB of memory in use. ENERGY: 1021600 735.5688 2106.6854 1939.1728 111.6794 -206404.9485 17933.9373 0.0000 0.0000 34177.0205 -149400.8842 298.4764 -183577.9047 -149307.5680 298.7541 68.9109 102.5337 556639.1996 12.3481 12.4467 PRESSURE: 1021800 -149.851 -9.97834 94.1811 -9.97755 -118.805 93.4777 94.1814 93.4799 -108.491 GPRESSURE: 1021800 -132.18 43.2142 72.6537 -6.75128 -43.639 17.6886 3.54672 171.332 -111.811 PRESSAVG: 1021800 66.5576 22.8705 -26.7839 22.8705 5.64653 58.0939 -26.7839 58.094 -20.6869 GPRESSAVG: 1021800 66.1121 21.7513 -25.6691 24.1902 5.66352 59.5286 -27.2664 57.8217 -19.8319 TIMING: 1021800 CPU: 3031.04, 0.00296108/step Wall: 3031.04, 0.00296108/step, 3.27216 hours remaining, 205.425781 MB of memory in use. ENERGY: 1021800 760.0430 2060.4218 1943.4170 118.4807 -205758.0287 17518.3845 0.0000 0.0000 34193.3666 -149163.9152 298.6192 -183357.2818 -149066.9483 299.7780 -125.7155 -95.8766 558025.9478 17.1724 17.3146 PRESSURE: 1022000 -110.436 -105.599 -66.4459 -105.599 20.5932 -54.8645 -66.4451 -54.8649 -93.2675 GPRESSURE: 1022000 -66.1768 -148.024 -0.860314 -108.091 64.099 -75.512 -118.27 -28.9555 -82.4129 PRESSAVG: 1022000 -53.1349 -40.7056 32.1524 -40.7057 -25.1325 29.1429 32.1524 29.1429 49.0907 GPRESSAVG: 1022000 -53.4143 -40.8127 30.0148 -41.1919 -24.306 29.4736 32.1936 28.1181 48.1484 TIMING: 1022000 CPU: 3031.63, 0.00297335/step Wall: 3031.63, 0.00297335/step, 3.28556 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: 1022000 710.1241 2065.2351 1927.9299 110.5488 -205821.3863 17549.5265 0.0000 0.0000 34175.0744 -149282.9474 298.4594 -183458.0218 -149187.6550 299.0058 -61.0367 -28.1636 558047.9337 -9.7256 -9.8573 PRESSURE: 1022200 17.1638 -114.205 -117.709 -114.205 165.468 -74.5003 -117.708 -74.5012 25.2691 GPRESSURE: 1022200 52.2866 -35.537 -124.853 -117.506 227.967 -64.0466 -100.718 -86.872 26.9565 PRESSAVG: 1022200 13.787 -11.4492 26.8636 -11.4492 0.072958 29.9935 26.8635 29.9935 17.4179 GPRESSAVG: 1022200 13.9914 -13.2644 27.1259 -10.7483 0.00590191 30.2308 27.7867 29.6336 17.2871 TIMING: 1022200 CPU: 3032.23, 0.00299284/step Wall: 3032.23, 0.00299284/step, 3.30692 hours remaining, 205.425781 MB of memory in use. ENERGY: 1022200 733.4333 2104.3695 1944.4272 118.0644 -206328.8414 17928.1363 0.0000 0.0000 34329.0173 -149171.3936 299.8038 -183500.4108 -149080.0837 299.2186 69.3003 102.4033 557058.0509 10.4259 10.4281 PRESSURE: 1022400 0.979512 -163.544 -5.07844 -163.545 -98.8581 -72.9169 -5.07687 -72.9169 215.232 GPRESSURE: 1022400 62.8721 -124.221 -77.1525 -202.837 -63.0446 -50.3616 -5.41981 -100.702 216.155 PRESSAVG: 1022400 -16.0409 3.96723 -48.9992 3.96716 -11.8031 22.0796 -48.9992 22.0796 13.968 GPRESSAVG: 1022400 -16.2771 5.87763 -47.7545 3.18237 -12.5081 18.9807 -51.2869 24.1688 15.0142 TIMING: 1022400 CPU: 3032.84, 0.0030262/step Wall: 3032.84, 0.0030262/step, 3.34361 hours remaining, 205.425781 MB of memory in use. ENERGY: 1022400 739.3566 2116.2741 1938.1484 111.3706 -205987.7773 17727.4566 0.0000 0.0000 34175.0873 -149180.0836 298.4595 -183355.1710 -149083.7365 299.2620 39.1176 71.9942 556298.9419 -4.6253 -4.5903 PRESSURE: 1022600 -211.206 -211.503 -108.643 -211.502 -169.745 56.1294 -108.641 56.1278 -386.254 GPRESSURE: 1022600 -218.693 -147.74 -52.7017 -155.402 -117.161 50.64 -43.1302 71.1196 -332.931 PRESSAVG: 1022600 21.4167 -72.0396 26.7749 -72.0396 -47.9863 37.0722 26.7748 37.0721 19.3555 GPRESSAVG: 1022600 22.7745 -73.4714 28.2919 -71.1063 -47.0713 39.8112 27.1256 35.0417 17.3126 TIMING: 1022600 CPU: 3033.44, 0.00299381/step Wall: 3033.44, 0.00299381/step, 3.30766 hours remaining, 205.425781 MB of memory in use. ENERGY: 1022600 735.1916 2083.2536 1941.7129 114.0833 -205680.9585 17476.7016 0.0000 0.0000 34186.0783 -149143.9373 298.5555 -183330.0156 -149042.4610 299.5709 -255.7352 -222.9284 559793.7932 -2.4047 -2.3281 PRESSURE: 1022800 -134.351 -163.645 89.4093 -163.646 12.9352 -149.851 89.4093 -149.849 33.643 GPRESSURE: 1022800 -94.5106 -123.696 96.9702 -206.149 22.2799 -143.04 98.1547 -91.0329 72.2704 PRESSAVG: 1022800 -80.0956 -103.253 -12.2611 -103.253 27.7514 39.9195 -12.2611 39.9195 -15.3826 GPRESSAVG: 1022800 -80.923 -104.179 -14.6477 -102.705 26.307 37.56 -12.3421 41.1366 -13.1554 TIMING: 1022800 CPU: 3034.03, 0.00298105/step Wall: 3034.03, 0.00298105/step, 3.29339 hours remaining, 205.425781 MB of memory in use. ENERGY: 1022800 735.1883 2113.0660 1938.4654 115.1657 -205806.8038 17681.8608 0.0000 0.0000 34028.1580 -149194.8997 297.1764 -183223.0577 -149105.2830 298.8229 -29.2575 0.0133 558109.8805 -22.5756 -22.5905 PRESSURE: 1023000 -28.8957 -152.331 3.67455 -152.331 -147.341 20.3852 3.67484 20.3844 8.94897 GPRESSURE: 1023000 86.0608 -162.229 64.3664 -212.91 -113.771 -42.4813 -49.7717 118.831 -31.9737 PRESSAVG: 1023000 -49.7698 15.9991 -33.4325 15.9991 73.7877 -13.2763 -33.4325 -13.2762 -49.6517 GPRESSAVG: 1023000 -49.5462 16.051 -33.3734 15.9988 74.831 -11.16 -32.7216 -14.7997 -50.6756 TIMING: 1023000 CPU: 3034.63, 0.00298567/step Wall: 3034.63, 0.00298567/step, 3.29834 hours remaining, 205.425781 MB of memory in use. ENERGY: 1023000 755.3760 2074.1577 1918.2468 112.9027 -205928.4875 17626.7263 0.0000 0.0000 34233.4352 -149207.6429 298.9691 -183441.0780 -149105.5172 299.1376 -55.7624 -19.8945 557521.8466 -8.5446 -8.4636 PRESSURE: 1023200 -50.1008 42.8867 89.5379 42.8862 -210.489 -9.45767 89.538 -9.45748 -38.4323 GPRESSURE: 1023200 -70.9064 107.756 86.8746 101.648 -152.05 -59.7026 129.67 3.45256 31.839 PRESSAVG: 1023200 44.285 -4.26086 -67.042 -4.26079 -71.3558 14.7842 -67.042 14.7843 -2.75772 GPRESSAVG: 1023200 43.484 -4.00115 -66.5425 -4.81258 -71.9846 11.7795 -68.0496 14.3931 -2.07692 TIMING: 1023200 CPU: 3035.23, 0.00299873/step Wall: 3035.23, 0.00299873/step, 3.3126 hours remaining, 205.425781 MB of memory in use. ENERGY: 1023200 770.1815 2083.6938 1930.8575 112.1806 -206071.7256 17657.6334 0.0000 0.0000 34385.8481 -149131.3308 300.3002 -183517.1789 -149036.5595 299.5574 -99.6741 -63.7058 557525.5664 -9.9429 -10.1925 PRESSURE: 1023400 12.2094 131.347 -96.6427 131.347 -224.321 -91.1774 -96.643 -91.1767 -134.921 GPRESSURE: 1023400 0.733234 95.5761 -104.08 176.282 -175.953 -153.039 -33.4627 -101.417 -75.7769 PRESSAVG: 1023400 -18.1989 8.72153 38.1515 8.7215 -39.2277 -10.9525 38.1514 -10.9526 65.43 GPRESSAVG: 1023400 -17.1614 8.73487 36.5724 9.21763 -38.0655 -9.03848 40.1638 -8.50044 63.2733 TIMING: 1023400 CPU: 3035.83, 0.0029931/step Wall: 3035.83, 0.0029931/step, 3.30621 hours remaining, 205.425781 MB of memory in use. ENERGY: 1023400 799.7444 2108.5923 1956.5269 115.9135 -206030.3007 17682.2690 0.0000 0.0000 34306.7927 -149060.4620 299.6098 -183367.2546 -148969.4082 299.5075 -115.6775 -83.6656 556716.5989 2.6678 2.6821 PRESSURE: 1023600 284.085 -34.191 55.8987 -34.1906 -143.148 106.044 55.8984 106.045 34.2145 GPRESSURE: 1023600 299.296 34.2687 67.7272 -80.63 -98.7276 152.639 -0.507458 59.3853 75.7774 PRESSAVG: 1023600 -30.2046 -15.1184 -9.99524 -15.1184 -17.2831 -5.14368 -9.99522 -5.14366 27.1557 GPRESSAVG: 1023600 -29.9205 -15.4996 -9.15433 -15.1951 -18.6864 -3.33624 -9.32258 -6.11704 28.2323 TIMING: 1023600 CPU: 3036.43, 0.00298988/step Wall: 3036.43, 0.00298988/step, 3.30249 hours remaining, 205.425781 MB of memory in use. ENERGY: 1023600 766.9297 2082.9541 1936.8112 115.5020 -206118.0143 17873.2729 0.0000 0.0000 34414.1688 -148928.3756 300.5475 -183342.5443 -148829.3164 300.2163 58.3838 92.1154 558348.3007 -6.7774 -6.7916 PRESSURE: 1023800 -283.696 -69.5036 96.2875 -69.5042 41.8213 -85.6367 96.2883 -85.6361 -227.565 GPRESSURE: 1023800 -259.557 -44.9346 37.2759 -109.181 106.578 -175.759 186.004 -111.897 -225.222 PRESSAVG: 1023800 -28.627 -11.7818 3.83898 -11.7818 57.9218 28.431 3.83903 28.4309 -54.0039 GPRESSAVG: 1023800 -30.1702 -11.4259 3.70505 -12.3594 58.1378 28.7147 3.87745 27.5549 -52.5035 TIMING: 1023800 CPU: 3037.02, 0.00297748/step Wall: 3037.02, 0.00297748/step, 3.28863 hours remaining, 205.425781 MB of memory in use. ENERGY: 1023800 771.5302 2119.4113 1966.2898 122.8312 -205899.5509 17537.3524 0.0000 0.0000 34350.8702 -149031.2658 299.9947 -183382.1360 -148935.3477 299.8441 -156.4796 -126.0668 557231.2040 -8.2364 -8.1786 PRESSURE: 1024000 -249.557 -85.4453 231.866 -85.4447 -14.5561 -32.0878 231.866 -32.0854 18.831 GPRESSURE: 1024000 -135.339 -74.9849 242.197 -86.846 -23.2819 80.6717 213.498 -132.603 5.42124 PRESSAVG: 1024000 -13.439 8.40911 33.8332 8.40912 41.2305 -65.4976 33.8331 -65.4976 -8.88628 GPRESSAVG: 1024000 -12.6672 9.45167 35.6999 7.78099 41.0024 -65.0181 30.7347 -65.7355 -9.63038 TIMING: 1024000 CPU: 3037.61, 0.0029601/step Wall: 3037.61, 0.0029601/step, 3.26927 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: 1024000 784.3491 2136.0287 1932.8026 110.9769 -206072.5968 17814.7846 0.0000 0.0000 34303.3336 -148990.3214 299.5795 -183293.6550 -148889.1081 299.8517 -81.7608 -51.0666 557681.4530 6.3017 6.2349 PRESSURE: 1024200 118.978 165.472 -71.4197 165.472 302.056 -160.02 -71.4183 -160.02 143.693 GPRESSURE: 1024200 145.92 104.769 -113.553 222.685 284.41 -101.302 51.1618 -168.103 224.731 PRESSAVG: 1024200 -40.3233 27.4759 57.3397 27.4759 36.6436 -11.0719 57.3398 -11.0719 0.0223363 GPRESSAVG: 1024200 -40.8373 25.9312 59.0107 28.2724 37.3214 -11.3058 57.4628 -8.87231 0.150041 TIMING: 1024200 CPU: 3038.2, 0.00295081/step Wall: 3038.2, 0.00295081/step, 3.25885 hours remaining, 205.425781 MB of memory in use. ENERGY: 1024200 755.5479 2111.0025 2001.6487 108.2306 -206349.7581 18153.3353 0.0000 0.0000 34221.0735 -148998.9195 298.8611 -183219.9930 -148911.4597 300.4624 188.2426 218.3540 557219.0705 -1.2191 -1.1219 LDB: ============= START OF LOAD BALANCING ============== 3041.63 LDB: ============== END OF LOAD BALANCING =============== 3041.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3041.63 LDB: ============= START OF LOAD BALANCING ============== 3041.93 LDB: Largest compute 4848 load 0.032921 is 27.9% of average load 0.117922 LDB: Average compute 0.001754 is 1.5% of average load 0.117922 LDB: TIME 3041.93 LOAD: AVG 0.117922 MAX 0.198538 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 3041.93 LOAD: AVG 0.117922 MAX 0.198538 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: TIME 3041.93 LOAD: AVG 0.117922 MAX 0.198538 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.141 MB LDB: ============== END OF LOAD BALANCING =============== 3041.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3041.94 PRESSURE: 1024400 22.2221 -116.527 -49.8294 -116.527 14.7486 -95.3289 -49.8291 -95.328 -144.354 GPRESSURE: 1024400 49.8364 -99.5588 -66.2037 -79.889 23.9201 -121.623 22.1985 -81.6362 -96.4478 PRESSAVG: 1024400 19.0633 28.7068 34.9106 28.7067 12.9385 11.2665 34.9106 11.2664 43.1042 GPRESSAVG: 1024400 20.0205 28.3225 33.1698 28.0819 12.8808 11.3549 35.016 8.54463 42.0468 TIMING: 1024400 CPU: 3038.81, 0.00303323/step Wall: 3038.81, 0.00303323/step, 3.34969 hours remaining, 207.218750 MB of memory in use. ENERGY: 1024400 768.9978 2119.6147 1959.0374 113.1874 -206062.5756 17760.0706 0.0000 0.0000 34136.2658 -149205.4018 298.1205 -183341.6676 -149110.5582 299.6569 -35.7946 -7.5637 556575.3286 25.0353 24.9827 PRESSURE: 1024600 -10.5426 75.3015 75.1496 75.301 -32.425 -41.6647 75.1489 -41.6649 -309.837 GPRESSURE: 1024600 45.621 49.1389 115.921 33.5108 22.7086 -9.14465 21.6681 -8.47227 -321.099 PRESSAVG: 1024600 -7.82688 20.4625 7.65647 20.4626 50.3563 -16.6791 7.65634 -16.6791 -45.5118 GPRESSAVG: 1024600 -7.45626 20.8046 8.10348 20.3058 49.9257 -17.9307 7.30683 -14.446 -44.9439 TIMING: 1024600 CPU: 3039.41, 0.00298678/step Wall: 3039.41, 0.00298678/step, 3.29823 hours remaining, 207.421875 MB of memory in use. ENERGY: 1024600 760.7522 2185.8528 1957.6909 100.1534 -205840.3212 17611.2730 0.0000 0.0000 34092.9780 -149131.6208 297.7425 -183224.5989 -149036.1364 299.4226 -117.6015 -84.2566 556575.3262 -0.9941 -0.8248 PRESSURE: 1024800 -123.294 19.0078 -31.0783 19.0077 144.925 79.5862 -31.079 79.5842 -461.935 GPRESSURE: 1024800 -107.39 70.0589 -60.0148 44.4433 125.355 53.3012 30.9308 201.124 -365.144 PRESSAVG: 1024800 0.312026 5.91224 -37.2121 5.91218 62.9007 24.1287 -37.2122 24.1287 -52.5076 GPRESSAVG: 1024800 0.28971 6.50557 -38.0818 7.45094 62.9979 24.0945 -35.493 24.4239 -53.1136 TIMING: 1024800 CPU: 3040, 0.00296704/step Wall: 3040, 0.00296704/step, 3.27627 hours remaining, 207.421875 MB of memory in use. ENERGY: 1024800 763.8672 2160.9383 1946.6233 102.6900 -205947.5616 17694.2999 0.0000 0.0000 34021.4509 -149257.6920 297.1178 -183279.1429 -149159.8636 299.1325 -146.7680 -115.7264 558092.6721 3.5684 3.3914 PRESSURE: 1025000 -135.345 -20.6998 73.0867 -20.7004 -74.2466 -132.447 73.0885 -132.447 -274.501 GPRESSURE: 1025000 -37.2289 -43.9246 97.7873 -35.4353 -48.0692 -148.468 128.141 -93.7118 -304.483 PRESSAVG: 1025000 -51.9071 11.2175 3.51055 11.2175 -9.62995 13.0868 3.51057 13.0868 19.228 GPRESSAVG: 1025000 -50.9217 10.1592 4.58439 11.6246 -9.91857 14.0675 3.43897 12.6803 18.5221 TIMING: 1025000 CPU: 3040.6, 0.00297707/step Wall: 3040.6, 0.00297707/step, 3.28718 hours remaining, 207.421875 MB of memory in use. ENERGY: 1025000 776.1269 2055.9514 1975.3593 124.1323 -206109.9766 17560.6320 0.0000 0.0000 34411.0301 -149206.7446 300.5201 -183617.7748 -149111.1148 298.6626 -161.3642 -129.9271 557705.7631 -14.1030 -14.1061 PRESSURE: 1025200 -163.053 77.4865 -2.9376 77.4853 -134.002 62.65 -2.938 62.6513 145.234 GPRESSURE: 1025200 -122.827 18.3284 84.4888 103.773 -51.4307 11.4369 -10.8924 74.1864 126.843 PRESSAVG: 1025200 -35.9856 -5.24355 33.1077 -5.24352 27.8253 5.16433 33.1076 5.16418 -9.29216 GPRESSAVG: 1025200 -36.7039 -5.64402 33.29 -5.98166 27.9961 3.76549 32.3114 6.76011 -8.58236 TIMING: 1025200 CPU: 3041.19, 0.00295278/step Wall: 3041.19, 0.00295278/step, 3.2602 hours remaining, 207.421875 MB of memory in use. ENERGY: 1025200 775.2194 2039.7400 1954.2716 110.3055 -206282.9891 17742.0311 0.0000 0.0000 34380.0165 -149281.4049 300.2492 -183661.4214 -149187.1058 299.8196 -50.6069 -15.8048 556888.0828 -5.8175 -5.7634 PRESSURE: 1025400 -174.723 36.0241 15.0679 36.0243 -141.458 -48.9684 15.0686 -48.9705 -170.987 GPRESSURE: 1025400 -194.052 85.8722 -39.9667 -41.96 -110.817 -99.5556 80.2954 -23.2323 -78.9522 PRESSAVG: 1025400 -7.65525 -7.50504 -15.6715 -7.50499 -22.6221 13.7724 -15.6715 13.7724 -15.5554 GPRESSAVG: 1025400 -8.00815 -4.99417 -16.0644 -9.24232 -23.3213 12.4923 -15.0697 12.312 -14.4045 TIMING: 1025400 CPU: 3041.78, 0.00297553/step Wall: 3041.78, 0.00297553/step, 3.28515 hours remaining, 207.421875 MB of memory in use. ENERGY: 1025400 705.2803 2112.7659 1956.7597 118.6975 -206357.2075 17721.0826 0.0000 0.0000 34331.2045 -149411.4169 299.8229 -183742.6214 -149317.0391 299.1811 -162.3891 -127.9404 557760.6259 -15.2776 -15.2447 PRESSURE: 1025600 -183.287 199.687 -30.8013 199.688 -10.9431 104.275 -30.8002 104.275 -123.47 GPRESSURE: 1025600 -155.582 292.797 -140.263 164.732 -0.782446 63.421 12.1619 52.602 -69.3348 PRESSAVG: 1025600 30.4522 32.5036 7.89065 32.5036 -29.5727 2.29624 7.89056 2.29623 -3.9292 GPRESSAVG: 1025600 30.868 32.0037 7.20997 33.6584 -29.3241 4.08538 6.47545 2.8352 -4.12819 TIMING: 1025600 CPU: 3042.38, 0.00300733/step Wall: 3042.38, 0.00300733/step, 3.32009 hours remaining, 207.421875 MB of memory in use. ENERGY: 1025600 728.1970 2088.8761 1954.2121 104.8888 -206349.0950 17740.6201 0.0000 0.0000 34378.1963 -149354.1046 300.2333 -183732.3009 -149264.9202 299.8417 -105.8999 -75.2331 558230.3061 -1.0166 -0.8614 PRESSURE: 1025800 -134.638 -115.486 -55.4596 -115.487 -151.432 -126.746 -55.4584 -126.746 55.7887 GPRESSURE: 1025800 -141.374 -21.8777 -40.8333 -173.249 -127.567 -154.907 -23.3181 -98.4415 132.543 PRESSAVG: 1025800 -70.8272 17.6651 -12.7152 17.665 72.4562 -6.76543 -12.7151 -6.76539 23.8199 GPRESSAVG: 1025800 -70.4116 16.7507 -12.0957 18.5217 70.7441 -8.07378 -11.2871 -6.79722 25.129 TIMING: 1025800 CPU: 3042.99, 0.00300844/step Wall: 3042.99, 0.00300844/step, 3.32115 hours remaining, 207.421875 MB of memory in use. ENERGY: 1025800 741.6644 2106.6023 1940.2378 107.9090 -206160.5331 17675.9831 0.0000 0.0000 34343.1449 -149244.9916 299.9272 -183588.1365 -149146.5547 299.2091 -76.7605 -45.4663 557409.6902 8.4830 8.4872 PRESSURE: 1026000 -250.167 -9.19638 17.8154 -9.19646 9.69265 -69.077 17.8155 -69.0783 -164.791 GPRESSURE: 1026000 -159.062 16.0405 25.3597 -24.4757 33.0165 -74.4426 36.1602 -21.5517 -171.173 PRESSAVG: 1026000 -81.0888 -10.7825 35.2551 -10.7826 55.9297 -28.8986 35.255 -28.8986 43.49 GPRESSAVG: 1026000 -81.3267 -9.90913 34.2121 -10.6217 57.4136 -26.7803 35.1272 -29.4939 42.5903 TIMING: 1026000 CPU: 3043.59, 0.0030142/step Wall: 3043.59, 0.0030142/step, 3.32734 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: 1026000 730.1931 2076.7351 1983.8241 123.1720 -205993.4774 17617.9635 0.0000 0.0000 34282.0037 -149179.5858 299.3933 -183461.5895 -149082.8629 298.9426 -135.0884 -99.0727 557283.1097 6.1103 6.2257 PRESSURE: 1026200 14.0578 -99.2023 -30.6205 -99.2017 145.124 33.6398 -30.6192 33.641 -303.679 GPRESSURE: 1026200 -7.53832 -153.755 -83.0713 -140.61 204.362 119.496 16.98 -49.4747 -245.004 PRESSAVG: 1026200 -10.8074 -6.8761 19.9804 -6.87603 5.06828 -35.9317 19.9804 -35.9317 1.76631 GPRESSAVG: 1026200 -10.5516 -7.15188 22.9035 -7.51865 6.09968 -38.2727 20.1421 -33.6028 0.432632 TIMING: 1026200 CPU: 3044.19, 0.0029973/step Wall: 3044.19, 0.0029973/step, 3.30851 hours remaining, 207.421875 MB of memory in use. ENERGY: 1026200 772.0018 2069.2505 1970.4977 117.7160 -206267.5916 17928.7904 0.0000 0.0000 34302.8280 -149106.5072 299.5751 -183409.3352 -149004.5804 300.3334 -48.1657 -16.0601 557293.3577 -1.3243 -1.3397 PRESSURE: 1026400 202.259 -7.1292 380.299 -7.12784 11.8826 174.888 380.298 174.889 -22.0034 GPRESSURE: 1026400 257.213 68.8035 333.248 -74.8704 21.2449 153.394 380.382 194.957 8.11992 PRESSAVG: 1026400 18.9989 19.3767 -36.4755 19.3768 -35.17 35.2866 -36.4755 35.2867 18.6114 GPRESSAVG: 1026400 18.3616 18.7453 -37.1686 18.5472 -35.4973 38.0049 -38.4579 31.6801 19.4583 TIMING: 1026400 CPU: 3044.78, 0.00297216/step Wall: 3044.78, 0.00297216/step, 3.2806 hours remaining, 207.421875 MB of memory in use. ENERGY: 1026400 742.3081 2089.6494 1960.8801 104.4437 -206399.5802 18035.8108 0.0000 0.0000 34370.2783 -149096.2099 300.1642 -183466.4882 -149002.2356 299.9526 64.0460 95.5258 558685.2633 0.8134 0.7742 PRESSURE: 1026600 -135.947 -18.8045 -178.866 -18.8046 -71.4287 -76.6545 -178.866 -76.6544 -86.2617 GPRESSURE: 1026600 -74.7746 16.1548 -169.3 -61.4433 -50.7137 -173.839 -156.94 95.2416 -69.5459 PRESSAVG: 1026600 30.1834 -7.07766 40.3204 -7.07766 31.5868 10.8551 40.3204 10.8552 -56.304 GPRESSAVG: 1026600 30.333 -5.03408 38.1876 -5.92348 31.8302 10.9524 40.8003 9.89091 -56.4022 TIMING: 1026600 CPU: 3045.38, 0.00298902/step Wall: 3045.38, 0.00298902/step, 3.29905 hours remaining, 207.421875 MB of memory in use. ENERGY: 1026600 758.0552 2097.5886 1977.6614 116.8286 -206091.2645 17860.7906 0.0000 0.0000 34209.6368 -149070.7032 298.7613 -183280.3401 -148971.6840 299.8957 -97.8793 -65.0114 559190.3798 1.8221 1.9203 PRESSURE: 1026800 34.2321 175.091 -0.774754 175.09 49.9209 -26.2856 -0.774707 -26.2855 -76.8005 GPRESSURE: 1026800 55.8017 167.693 112.494 164.941 35.0935 2.58568 -82.9438 92.3322 16.7724 PRESSAVG: 1026800 35.8814 12.4014 -0.966094 12.4014 32.4408 -50.2339 -0.966043 -50.2339 -67.0549 GPRESSAVG: 1026800 36.4437 9.36605 0.340057 12.5972 31.5302 -51.1309 0.372152 -47.3352 -67.3546 TIMING: 1026800 CPU: 3045.98, 0.0030175/step Wall: 3045.98, 0.0030175/step, 3.33031 hours remaining, 207.421875 MB of memory in use. ENERGY: 1026800 741.4484 2107.9831 1938.8802 105.6836 -206212.2255 17884.1108 0.0000 0.0000 34352.9453 -149081.1741 300.0128 -183434.1193 -148982.6425 299.4943 2.4508 35.8892 558670.5558 0.4225 0.2064 PRESSURE: 1027000 -55.379 -20.9879 88.2573 -20.9872 -28.5903 160.43 88.2571 160.429 -321.221 GPRESSURE: 1027000 -30.6602 -72.0598 149.739 36.8241 21.6569 206.537 58.0133 109.845 -298.182 PRESSAVG: 1027000 95.0827 47.9299 42.4418 47.9299 31.988 41.6418 42.4418 41.6418 -61.8215 GPRESSAVG: 1027000 94.6672 48.3853 42.8728 46.6909 32.0036 41.8143 40.7462 39.9913 -61.4111 TIMING: 1027000 CPU: 3046.58, 0.00299356/step Wall: 3046.58, 0.00299356/step, 3.30373 hours remaining, 207.421875 MB of memory in use. ENERGY: 1027000 759.3929 2083.5109 1978.5113 118.2019 -205963.9777 17633.6241 0.0000 0.0000 34294.9102 -149095.8263 299.5060 -183390.7365 -149001.5608 299.8918 -135.0633 -102.3950 557558.1115 21.7497 21.7532 PRESSURE: 1027200 99.9545 40.9671 101.508 40.9652 75.2669 -116.646 101.51 -116.644 -76.1565 GPRESSURE: 1027200 145.311 63.6033 127.134 62.1526 108.177 -154.334 55.4658 -161.502 -74.3982 PRESSAVG: 1027200 -39.3341 53.6584 41.9349 53.6584 28.675 22.5807 41.935 22.5807 -24.97 GPRESSAVG: 1027200 -38.2065 54.1981 42.1411 53.4889 27.5047 22.3962 40.5275 23.3133 -25.3175 TIMING: 1027200 CPU: 3047.19, 0.00304351/step Wall: 3047.19, 0.00304351/step, 3.35869 hours remaining, 207.421875 MB of memory in use. ENERGY: 1027200 738.1752 2104.1701 1944.3005 120.0252 -206204.0182 17809.9584 0.0000 0.0000 34247.4709 -149239.9179 299.0917 -183487.3888 -149144.4876 298.4725 33.0216 59.6964 558116.9817 -11.8764 -12.0064 PRESSURE: 1027400 129.548 -53.1169 95.865 -53.1163 109.253 -167.382 95.864 -167.382 20.0231 GPRESSURE: 1027400 131.859 -38.1693 118.125 -44.7131 162.048 -142.569 42.7375 -125.224 61.3491 PRESSAVG: 1027400 2.89396 0.631507 -23.0967 0.631545 53.0785 -19.9414 -23.0967 -19.9412 -32.7166 GPRESSAVG: 1027400 1.40478 -0.0700676 -24.3776 2.20589 54.9165 -18.1823 -20.8225 -21.0315 -32.4477 TIMING: 1027400 CPU: 3047.79, 0.00298996/step Wall: 3047.79, 0.00298996/step, 3.29942 hours remaining, 207.421875 MB of memory in use. ENERGY: 1027400 723.2342 2111.5512 1931.5192 115.8036 -206384.9963 17970.8713 0.0000 0.0000 34080.9680 -149451.0488 297.6376 -183532.0168 -149361.6751 298.9673 86.2748 118.4186 557156.0456 7.7520 7.9579 PRESSURE: 1027600 -110.37 114.477 11.1519 114.478 -168.736 -16.8846 11.1524 -16.8846 -55.8463 GPRESSURE: 1027600 -82.7302 163.56 63.3883 134.064 -146.954 -32.0643 -11.6732 60.6406 -0.86005 PRESSAVG: 1027600 -18.4589 26.7398 12.2301 26.7399 -1.55191 -4.53235 12.2301 -4.5325 4.82302 GPRESSAVG: 1027600 -17.6163 26.7898 13.2594 27.1865 -2.53192 -5.17989 11.5303 -3.98954 4.84649 TIMING: 1027600 CPU: 3048.38, 0.00296572/step Wall: 3048.38, 0.00296572/step, 3.2725 hours remaining, 207.421875 MB of memory in use. ENERGY: 1027600 752.7186 2098.3477 1965.4999 117.6349 -206078.4794 17569.0485 0.0000 0.0000 34410.0891 -149165.1407 300.5119 -183575.2297 -149062.3735 299.3409 -111.6508 -76.8482 557497.5558 -5.0626 -5.1006 PRESSURE: 1027800 15.7135 -118.817 5.42779 -118.816 -39.8381 97.5027 5.42809 97.5027 24.3738 GPRESSURE: 1027800 14.0126 -153.299 112.349 -157.13 33.2854 190.588 -63.866 25.2512 53.6127 PRESSAVG: 1027800 15.4472 38.4242 19.7946 38.4242 -51.3903 -33.3942 19.7946 -33.3943 31.687 GPRESSAVG: 1027800 15.8008 39.0646 19.2221 37.0983 -52.1373 -33.1367 20.4003 -34.4687 31.2082 TIMING: 1027800 CPU: 3048.98, 0.00297215/step Wall: 3048.98, 0.00297215/step, 3.27944 hours remaining, 207.421875 MB of memory in use. ENERGY: 1027800 731.6462 2086.1384 1960.5297 114.1820 -206118.7727 17722.2391 0.0000 0.0000 34454.3338 -149049.7036 300.8983 -183504.0374 -148955.3989 300.0618 0.0831 33.6369 557744.9865 -1.4187 -1.7094 PRESSURE: 1028000 109.526 170.913 -34.4295 170.912 -133.209 -80.3282 -34.4292 -80.3277 -35.1923 GPRESSURE: 1028000 184.06 251.46 -32.7911 172.541 -105.996 -123.632 -24.1448 -52.3873 -37.1586 PRESSAVG: 1028000 26.0821 60.8541 25.1034 60.8541 -33.7654 -58.5685 25.1033 -58.5686 -0.618752 GPRESSAVG: 1028000 26.2737 60.9974 23.9625 63.0185 -34.1641 -60.3288 25.435 -56.1298 -0.549578 TIMING: 1028000 CPU: 3049.57, 0.00294746/step Wall: 3049.57, 0.00294746/step, 3.25203 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: 1028000 778.3972 2099.4942 1988.0655 126.3968 -206004.6159 17615.3799 0.0000 0.0000 34398.6101 -148998.2723 300.4116 -183396.8824 -148904.7608 300.1186 -19.6250 13.6352 557317.3614 -2.7674 -2.8133 PRESSURE: 1028200 317.823 183.35 -168.527 183.349 4.97949 -47.7172 -168.526 -47.718 -121.517 GPRESSURE: 1028200 325.505 214.992 -137.44 195.62 48.885 -51.0583 -270.548 -57.1842 -73.293 PRESSAVG: 1028200 22.1423 22.3342 -44.4836 22.3343 -7.07692 -84.7506 -44.4836 -84.7506 -48.0226 GPRESSAVG: 1028200 22.017 23.2009 -42.3926 19.4523 -6.08347 -83.9714 -45.3264 -85.6422 -49.2168 TIMING: 1028200 CPU: 3050.16, 0.00296836/step Wall: 3050.16, 0.00296836/step, 3.27493 hours remaining, 207.421875 MB of memory in use. ENERGY: 1028200 735.0503 2106.3928 1957.0518 106.7427 -206090.0363 17799.4584 0.0000 0.0000 34359.3267 -149026.0137 300.0685 -183385.3404 -148931.0002 300.0651 67.0953 100.3655 557388.3095 -10.9857 -11.0944 LDB: ============= START OF LOAD BALANCING ============== 3053.59 LDB: ============== END OF LOAD BALANCING =============== 3053.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3053.59 LDB: ============= START OF LOAD BALANCING ============== 3053.88 LDB: Largest compute 4848 load 0.030225 is 25.6% of average load 0.117865 LDB: Average compute 0.001752 is 1.5% of average load 0.117865 LDB: TIME 3053.89 LOAD: AVG 0.117865 MAX 0.19616 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 3053.89 LOAD: AVG 0.117865 MAX 0.19616 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: TIME 3053.89 LOAD: AVG 0.117865 MAX 0.19616 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.738 MB LDB: ============== END OF LOAD BALANCING =============== 3053.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3053.89 PRESSURE: 1028400 -117.705 134.024 -114.713 134.026 -51.5575 -140.547 -114.714 -140.547 -7.6594 GPRESSURE: 1028400 -148.746 70.1752 -138.974 133.238 29.1033 -160.547 -41.9603 -114.777 33.9175 PRESSAVG: 1028400 40.4869 44.0812 -2.79712 44.0813 -32.4845 -26.6672 -2.79728 -26.6672 0.150062 GPRESSAVG: 1028400 39.5979 42.113 -4.84324 44.4518 -31.5387 -27.2179 -1.59826 -27.5801 -0.0957948 TIMING: 1028400 CPU: 3050.76, 0.00301716/step Wall: 3050.76, 0.00301716/step, 3.3286 hours remaining, 207.027344 MB of memory in use. ENERGY: 1028400 730.8791 2096.8053 1977.6832 108.9960 -206106.8006 17885.0135 0.0000 0.0000 34222.7212 -149084.7023 298.8755 -183307.4235 -148993.5528 299.4170 -58.9740 -28.5749 557916.6409 2.7175 2.6545 PRESSURE: 1028600 -67.1721 69.0521 56.615 69.0529 -150.693 -10.914 56.6137 -10.9149 28.5317 GPRESSURE: 1028600 6.89378 -112.559 80.2727 195.784 -180.002 68.4196 48.6686 -88.408 82.9438 PRESSAVG: 1028600 -26.2512 58.9208 -2.62285 58.9209 42.0451 -28.1624 -2.62301 -28.1623 -15.3935 GPRESSAVG: 1028600 -26.069 58.821 -0.243775 60.7459 41.1705 -28.4583 -4.24058 -28.3053 -15.0962 TIMING: 1028600 CPU: 3051.36, 0.00296429/step Wall: 3051.36, 0.00296429/step, 3.2701 hours remaining, 207.027344 MB of memory in use. ENERGY: 1028600 753.9531 2096.1036 1946.1184 108.4610 -206219.2209 17896.8154 0.0000 0.0000 34329.6168 -149088.1528 299.8091 -183417.7695 -148992.7487 300.2409 -63.1111 -30.0547 556462.3541 0.1335 0.0018 PRESSURE: 1028800 18.116 -27.5437 18.3018 -27.5432 -118.07 -63.8298 18.3005 -63.8296 -42.1357 GPRESSURE: 1028800 69.767 14.7114 18.5559 -3.51612 -85.4595 -94.6251 -6.74145 -103.214 -28.3798 PRESSAVG: 1028800 55.8706 -6.13249 5.95881 -6.13256 -8.69141 -32.7072 5.95874 -32.7071 -48.3518 GPRESSAVG: 1028800 56.2221 -4.17377 5.99264 -6.06055 -9.63227 -32.6668 4.64817 -30.6234 -47.2243 TIMING: 1028800 CPU: 3051.95, 0.00296427/step Wall: 3051.95, 0.00296427/step, 3.26991 hours remaining, 207.027344 MB of memory in use. ENERGY: 1028800 768.7867 2189.6267 1949.6634 109.5118 -206515.0283 17748.4880 0.0000 0.0000 34573.6350 -149175.3167 301.9402 -183748.9517 -149083.7852 299.7897 -47.3633 -14.6908 555594.0910 -0.3909 -0.2115 PRESSURE: 1029000 -148.012 18.0174 16.1346 18.0176 -188.996 -101.973 16.1336 -101.973 -217.119 GPRESSURE: 1029000 -121.883 21.6834 3.32098 -5.92917 -98.8337 -49.4929 73.8455 -111.34 -243.653 PRESSAVG: 1029000 10.3467 -17.4315 -11.4927 -17.4315 -18.9516 -42.8903 -11.4927 -42.8903 -18.4563 GPRESSAVG: 1029000 10.7427 -18.1217 -12.5171 -17.3115 -18.4853 -41.7701 -10.9253 -44.2478 -19.6179 TIMING: 1029000 CPU: 3052.54, 0.00296324/step Wall: 3052.54, 0.00296324/step, 3.26862 hours remaining, 207.027344 MB of memory in use. ENERGY: 1029000 740.2729 2107.1839 1951.4011 106.0787 -205711.9914 17346.9484 0.0000 0.0000 34154.7730 -149305.3334 298.2821 -183460.1064 -149209.3378 299.4931 -184.7089 -154.7899 556776.0477 -9.0204 -9.1202 PRESSURE: 1029200 -113.786 -80.831 94.3476 -80.8299 -178.663 60.0627 94.3472 60.0621 33.2974 GPRESSURE: 1029200 -63.2168 -113.055 105.79 -77.8532 -179.851 40.9632 62.1973 86.7384 81.6112 PRESSAVG: 1029200 13.2377 -15.7968 -8.94656 -15.7968 -18.4373 57.7652 -8.94652 57.7652 12.6451 GPRESSAVG: 1029200 13.5253 -16.3015 -10.0088 -14.5983 -18.5661 57.214 -6.53629 58.9213 12.4937 TIMING: 1029200 CPU: 3053.13, 0.00293951/step Wall: 3053.13, 0.00293951/step, 3.24228 hours remaining, 207.027344 MB of memory in use. ENERGY: 1029200 747.8355 2126.6240 1953.9045 111.8277 -205965.5662 17673.7468 0.0000 0.0000 34051.4675 -149300.1603 297.3799 -183351.6277 -149203.4045 298.8792 -86.3838 -53.8190 558858.5583 2.4819 2.4843 PRESSURE: 1029400 -181.025 65.5488 -179.926 65.5497 -10.505 138.75 -179.927 138.749 8.29719 GPRESSURE: 1029400 -168.77 54.3539 -180.308 135.511 35.1039 183.28 -167.799 74.5708 44.5681 PRESSAVG: 1029400 36.2826 66.9166 -5.98274 66.9165 -35.4568 40.4824 -5.9827 40.4824 -65.5486 GPRESSAVG: 1029400 36.2341 69.0281 -4.12978 64.682 -34.7857 40.5764 -7.10627 40.5591 -65.4753 TIMING: 1029400 CPU: 3053.72, 0.00295142/step Wall: 3053.72, 0.00295142/step, 3.25526 hours remaining, 207.027344 MB of memory in use. ENERGY: 1029400 754.6440 2092.3623 1952.6269 126.1884 -206305.1833 17859.6747 0.0000 0.0000 34218.7751 -149300.9118 298.8411 -183519.6870 -149209.1323 298.4533 -61.0775 -29.6994 557547.4161 -21.5743 -21.3423 PRESSURE: 1029600 -195.935 -14.5341 26.7696 -14.5354 167.118 133.664 26.7699 133.666 -194.02 GPRESSURE: 1029600 -160.744 -3.20356 -29.2736 14.5296 208.54 136.951 61.4037 192.671 -163.77 PRESSAVG: 1029600 -23.5592 21.2311 -38.8847 21.231 24.5735 4.82939 -38.8848 4.8294 0.0518944 GPRESSAVG: 1029600 -23.0168 18.2597 -40.5581 21.1918 23.5313 3.16654 -37.2709 5.96571 1.44849 TIMING: 1029600 CPU: 3054.31, 0.00292882/step Wall: 3054.31, 0.00292882/step, 3.23016 hours remaining, 207.027344 MB of memory in use. ENERGY: 1029600 753.3789 2044.7218 1937.6680 107.1046 -206110.1726 17722.4830 0.0000 0.0000 34336.0949 -149208.7213 299.8657 -183544.8162 -149106.2033 298.8605 -74.2792 -38.6581 556488.9705 0.3554 0.6543 PRESSURE: 1029800 -195.734 123.63 97.2409 123.631 -102.373 -24.1096 97.2417 -24.1087 -45.2295 GPRESSURE: 1029800 -150.584 121.389 11.0093 72.0254 -86.1753 -100.222 116.052 8.05513 -13.9971 PRESSAVG: 1029800 -0.462465 5.08768 -25.3827 5.08768 1.32014 -18.6966 -25.3827 -18.6966 -53.0193 GPRESSAVG: 1029800 -1.16861 4.99368 -25.6487 5.93999 3.15309 -19.2619 -26.596 -18.8192 -54.4922 TIMING: 1029800 CPU: 3054.89, 0.00294788/step Wall: 3054.89, 0.00294788/step, 3.25102 hours remaining, 207.027344 MB of memory in use. ENERGY: 1029800 795.9662 2142.8149 1962.9486 114.7914 -206156.4519 17812.6821 0.0000 0.0000 34255.6289 -149071.6198 299.1629 -183327.2486 -148978.0311 300.0446 -114.4456 -83.5856 557186.8036 -17.3872 -17.5026 PRESSURE: 1030000 -92.9865 -42.4089 104.803 -42.4107 207.918 -18.2288 104.804 -18.2286 -21.3792 GPRESSURE: 1030000 -84.5425 -39.1958 188.611 39.72 204.083 -31.2172 17.8859 -29.9788 71.0502 PRESSAVG: 1030000 -24.1502 3.86654 57.6463 3.86657 4.21101 -3.09681 57.6464 -3.09676 11.8074 GPRESSAVG: 1030000 -24.6858 5.12984 57.7908 3.34298 3.83884 -3.84506 57.73 -4.84049 12.4814 TIMING: 1030000 CPU: 3055.49, 0.0029687/step Wall: 3055.49, 0.0029687/step, 3.27381 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: 1030000 730.4865 2089.6915 1943.8061 123.4457 -206145.2452 17895.2568 0.0000 0.0000 34353.2329 -149009.3256 300.0153 -183362.5585 -148923.3533 299.9000 31.1840 63.5303 557924.3951 -2.7106 -2.7885 PRESSURE: 1030200 366.964 29.5075 16.0796 29.5083 78.8603 117.368 16.0792 117.369 264.608 GPRESSURE: 1030200 420.033 36.6291 96.9472 23.7086 129.415 104.385 6.72794 84.9286 272.809 PRESSAVG: 1030200 25.2854 -29.5511 48.3908 -29.5511 -30.2401 9.55871 48.3907 9.55868 46.2805 GPRESSAVG: 1030200 26.3566 -31.1309 47.3783 -29.4949 -30.9628 11.7215 49.7548 7.73699 46.4752 TIMING: 1030200 CPU: 3056.08, 0.00294151/step Wall: 3056.08, 0.00294151/step, 3.24367 hours remaining, 207.027344 MB of memory in use. ENERGY: 1030200 734.9317 2080.9374 1953.9820 118.9232 -207008.7720 18431.1891 0.0000 0.0000 34412.1192 -149276.6893 300.5296 -183688.8085 -149181.9430 299.8140 236.8107 274.0855 556529.5653 13.7753 13.9563 PRESSURE: 1030400 -136.055 -89.3425 123.194 -89.3431 -191.283 59.625 123.193 59.6269 -53.1409 GPRESSURE: 1030400 -139.031 -39.1398 49.4693 -31.9865 -37.1133 50.2056 140.221 40.6788 -113.988 PRESSAVG: 1030400 -18.0323 -12.0918 -6.90209 -12.0918 3.30064 19.2233 -6.90214 19.2232 34.737 GPRESSAVG: 1030400 -18.2178 -10.8438 -5.2491 -12.5492 4.54417 20.3909 -8.61409 19.9104 33.0309 TIMING: 1030400 CPU: 3056.67, 0.00294215/step Wall: 3056.67, 0.00294215/step, 3.24421 hours remaining, 207.027344 MB of memory in use. ENERGY: 1030400 714.9947 2091.8790 1938.3857 105.0143 -206119.7671 17679.3259 0.0000 0.0000 34315.8620 -149274.3055 299.6890 -183590.1675 -149178.0813 299.1947 -126.8265 -96.7110 558321.9788 6.6684 6.4524 PRESSURE: 1030600 -178.042 164.036 204.298 164.037 -183.681 -112.618 204.299 -112.617 -121.805 GPRESSURE: 1030600 -104.059 182.286 309.704 160.011 -211.018 -105.359 177.584 -179.528 -60.495 PRESSAVG: 1030600 21.8151 35.9622 42.0494 35.9622 -14.1368 15.7089 42.0494 15.709 17.4764 GPRESSAVG: 1030600 21.9225 36.9378 44.136 37.061 -14.9089 12.0587 41.6992 19.5348 18.0067 TIMING: 1030600 CPU: 3057.26, 0.00297325/step Wall: 3057.26, 0.00297325/step, 3.27834 hours remaining, 207.027344 MB of memory in use. ENERGY: 1030600 753.3334 2038.8610 1911.1747 105.0450 -205988.9889 17462.7003 0.0000 0.0000 34424.9219 -149292.9526 300.6414 -183717.8745 -149197.3787 299.2343 -161.1759 -125.1906 556324.5633 8.3849 8.3401 PRESSURE: 1030800 -109.602 3.86361 -43.6241 3.86291 -61.5283 56.5249 -43.6257 56.5263 -124.648 GPRESSURE: 1030800 -89.1911 -102.304 -23.8165 -18.7016 -47.0777 44.1233 -64.4584 106.754 -61.5236 PRESSAVG: 1030800 -18.3663 31.52 55.3392 31.52 41.3805 46.3762 55.3392 46.3762 24.2345 GPRESSAVG: 1030800 -19.1756 31.3404 52.5678 30.0519 41.2534 47.3919 56.3681 44.4188 25.5299 TIMING: 1030800 CPU: 3057.85, 0.00296681/step Wall: 3057.85, 0.00296681/step, 3.27107 hours remaining, 207.027344 MB of memory in use. ENERGY: 1030800 746.6905 2043.8594 1939.1803 117.5153 -206045.8788 17716.1035 0.0000 0.0000 34138.5679 -149343.9618 298.1406 -183482.5297 -149246.5991 299.1131 -98.5929 -65.9308 556017.4107 15.7496 15.8692 PRESSURE: 1031000 -19.4578 -140.002 -3.57517 -140.002 253.127 41.3733 -3.5749 41.3725 -234.566 GPRESSURE: 1031000 0.406076 -61.1062 20.7104 -107.427 287.296 67.2477 4.60797 36.8236 -199.616 PRESSAVG: 1031000 -11.2876 -24.8358 -21.9661 -24.8357 22.2997 -32.0814 -21.9662 -32.0815 -49.5129 GPRESSAVG: 1031000 -11.4749 -23.7765 -21.8784 -24.5061 21.8324 -32.4602 -20.2663 -29.455 -48.8422 TIMING: 1031000 CPU: 3058.44, 0.00294629/step Wall: 3058.44, 0.00294629/step, 3.24828 hours remaining, 207.027344 MB of memory in use. ENERGY: 1031000 737.5674 2066.8377 1928.9433 116.7174 -206455.6104 17757.0526 0.0000 0.0000 34373.1470 -149475.3450 300.1892 -183848.4921 -149380.1607 298.8167 -0.2992 29.3621 555300.6542 -12.8336 -12.8283 PRESSURE: 1031200 72.979 31.0387 106.358 31.0376 -4.39407 -79.9169 106.359 -79.9181 -37.3698 GPRESSURE: 1031200 13.9346 -51.7537 108.222 149.133 42.1131 -64.7391 94.3577 -112.827 72.0349 PRESSAVG: 1031200 -4.64922 -25.9139 -0.219595 -25.9139 -4.16333 -0.0751578 -0.219504 -0.0751131 37.9948 GPRESSAVG: 1031200 -3.49899 -26.58 -0.0710517 -25.3172 -3.70431 0.616862 -1.07408 -2.69369 36.4659 TIMING: 1031200 CPU: 3059.03, 0.00296013/step Wall: 3059.03, 0.00296013/step, 3.26338 hours remaining, 207.027344 MB of memory in use. ENERGY: 1031200 774.4342 2105.0683 1932.2256 113.8392 -206475.5958 17979.3316 0.0000 0.0000 34172.5765 -149398.1205 298.4376 -183570.6969 -149307.6513 298.2940 10.4051 42.6942 557401.3936 9.7274 9.7542 PRESSURE: 1031400 39.6623 117.324 146.974 117.323 -281.448 -133.354 146.975 -133.355 -0.092037 GPRESSURE: 1031400 91.7184 140.837 187.936 32.9029 -266.492 -111.564 145.967 -97.4309 25.8868 PRESSAVG: 1031400 -18.1444 4.66498 36.2946 4.66505 4.7346 -18.594 36.2945 -18.594 10.052 GPRESSAVG: 1031400 -18.4417 4.06232 37.0538 2.45752 5.26145 -18.9923 33.7619 -17.2698 9.8273 TIMING: 1031400 CPU: 3059.63, 0.00296441/step Wall: 3059.63, 0.00296441/step, 3.26793 hours remaining, 207.027344 MB of memory in use. ENERGY: 1031400 744.8648 2063.4911 1934.2303 124.9343 -206084.9744 17652.3271 0.0000 0.0000 34212.7711 -149352.3558 298.7886 -183565.1269 -149256.5101 297.8309 -80.6260 -49.6290 557938.1515 -1.1193 -1.1177 PRESSURE: 1031600 237.596 -31.2459 -108.605 -31.2466 187.903 -14.924 -108.606 -14.9257 298.742 GPRESSURE: 1031600 265.047 -59.1518 -63.5962 10.5861 263.523 -24.612 -113.944 38.0933 286.758 PRESSAVG: 1031600 11.3042 -16.8212 -25.8447 -16.8212 0.780196 6.23221 -25.8447 6.23217 -15.7089 GPRESSAVG: 1031600 10.5159 -18.6396 -26.3127 -16.2992 1.1431 8.08274 -25.0654 5.84686 -15.8693 TIMING: 1031600 CPU: 3060.22, 0.00295838/step Wall: 3060.22, 0.00295838/step, 3.26112 hours remaining, 207.027344 MB of memory in use. ENERGY: 1031600 729.7129 2109.2465 1941.8026 126.7406 -206222.5773 17949.4860 0.0000 0.0000 34181.3529 -149184.2358 298.5143 -183365.5887 -149095.6497 298.5404 241.4138 271.7759 557025.1665 -1.2082 -1.4034 PRESSURE: 1031800 142.67 -4.82212 122.975 -4.82362 86.0212 -47.1541 122.976 -47.154 -495.827 GPRESSURE: 1031800 133.045 5.8991 139.847 1.99253 82.5005 -55.4303 72.0741 -56.5113 -385.229 PRESSAVG: 1031800 -8.22799 -26.4906 -23.8797 -26.4904 39.3631 -37.7096 -23.8795 -37.7096 -21.6967 GPRESSAVG: 1031800 -7.59623 -25.3984 -24.4603 -24.6805 39.1587 -37.3648 -23.8218 -37.8119 -22.7832 TIMING: 1031800 CPU: 3060.81, 0.00297476/step Wall: 3060.81, 0.00297476/step, 3.27901 hours remaining, 207.027344 MB of memory in use. ENERGY: 1031800 746.5932 2079.9847 1936.9178 109.1062 -206105.1671 17643.3367 0.0000 0.0000 34349.7322 -149239.4962 299.9848 -183589.2284 -149139.5839 299.5895 -89.0453 -56.5612 556795.3643 3.1461 2.9264 PRESSURE: 1032000 -80.721 -76.6737 -37.5782 -76.6747 -110.081 85.3123 -37.5797 85.313 -41.253 GPRESSURE: 1032000 -51.2746 -113.889 -89.8361 -47.7442 -118.768 115.651 -4.4755 42.0207 40.7455 PRESSAVG: 1032000 -17.4257 -12.531 -24.4419 -12.5311 0.852505 6.6229 -24.4419 6.62301 42.772 GPRESSAVG: 1032000 -18.4696 -11.5268 -23.0013 -13.8506 0.192563 6.64479 -23.5185 6.04686 44.602 TIMING: 1032000 CPU: 3061.42, 0.00300569/step Wall: 3061.42, 0.00300569/step, 3.31294 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: 1032000 753.7925 2041.7868 1940.6285 99.6183 -206317.2369 17872.5061 0.0000 0.0000 34271.8491 -149337.0555 299.3046 -183608.9046 -149243.0916 299.0102 -77.3516 -43.0991 558023.5667 8.7329 8.7750 PRESSURE: 1032200 15.0835 -48.1408 -9.85134 -48.1393 129.764 247.602 -9.85069 247.603 -0.815209 GPRESSURE: 1032200 64.6414 -36.3233 13.1746 -163.423 173.163 250.99 -59.0028 222.15 14.138 PRESSAVG: 1032200 -9.04875 -0.374417 29.9004 -0.374422 17.0628 21.7264 29.9003 21.7263 38.8922 GPRESSAVG: 1032200 -9.91379 -2.35264 28.7548 0.020945 18.1461 21.8896 29.435 21.1307 39.078 TIMING: 1032200 CPU: 3062.01, 0.00298173/step Wall: 3062.01, 0.00298173/step, 3.28636 hours remaining, 207.027344 MB of memory in use. ENERGY: 1032200 776.7416 2068.8012 1930.8032 112.5945 -206270.7251 17911.5570 0.0000 0.0000 34122.7550 -149347.4726 298.0025 -183470.2276 -149241.8149 299.0954 48.0107 83.9807 556608.2197 15.6354 15.7701 LDB: ============= START OF LOAD BALANCING ============== 3065.44 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3065.44 LDB: =============== DONE WITH MIGRATION ================ 3065.44 LDB: ============= START OF LOAD BALANCING ============== 3065.74 LDB: Largest compute 4848 load 0.030375 is 25.8% of average load 0.117900 LDB: Average compute 0.001746 is 1.5% of average load 0.117900 LDB: TIME 3065.74 LOAD: AVG 0.1179 MAX 0.196663 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.605 MB LDB: TIME 3065.74 LOAD: AVG 0.1179 MAX 0.196663 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.676 MB LDB: TIME 3065.74 LOAD: AVG 0.1179 MAX 0.196663 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.676 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3065.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3065.75 PRESSURE: 1032400 -1.31297 24.8926 -76.347 24.8924 -202.14 51.467 -76.3478 51.4668 -498.838 GPRESSURE: 1032400 30.976 49.49 -72.3083 -0.0260701 -208.42 -55.9783 -87.1516 127.835 -424.566 PRESSAVG: 1032400 62.1498 7.73577 -10.6124 7.73566 -25.6474 9.16293 -10.6125 9.16294 -48.5155 GPRESSAVG: 1032400 63.1087 9.53212 -8.64822 6.09545 -25.408 9.12155 -11.2695 9.15147 -49.8086 TIMING: 1032400 CPU: 3062.62, 0.00303549/step Wall: 3062.62, 0.00303549/step, 3.34545 hours remaining, 205.796875 MB of memory in use. ENERGY: 1032400 786.4242 2025.0713 1942.7276 133.6661 -205808.7496 17469.0996 0.0000 0.0000 34138.0071 -149313.7538 298.1357 -183451.7609 -149222.3478 298.8664 -234.0970 -200.6699 557982.9114 -4.0043 -4.0360 PRESSURE: 1032600 -127.667 70.5686 -39.8432 70.5685 208.178 215.924 -39.8434 215.924 215.968 GPRESSURE: 1032600 -49.9832 33.1145 21.5018 213.456 304.858 210.564 22.3096 212.922 144.619 PRESSAVG: 1032600 22.9155 -40.0636 34.154 -40.0637 3.54417 7.38859 34.154 7.38852 -54.819 GPRESSAVG: 1032600 22.9584 -40.7267 34.8416 -38.8778 2.25613 4.90987 34.1936 8.69701 -53.5276 TIMING: 1032600 CPU: 3063.22, 0.00299131/step Wall: 3063.22, 0.00299131/step, 3.29659 hours remaining, 205.796875 MB of memory in use. ENERGY: 1032600 793.7159 2077.3581 1934.2018 109.8891 -206310.3465 18004.0585 0.0000 0.0000 34165.6305 -149225.4926 298.3769 -183391.1231 -149135.4073 299.3057 98.8263 133.1648 557159.6694 -9.4531 -9.4377 PRESSURE: 1032800 -110.752 110.623 58.0545 110.621 -2.47974 121.401 58.0561 121.401 136.498 GPRESSURE: 1032800 -64.3565 64.6986 91.6287 91.1558 24.0065 94.2487 42.7407 191.025 173.502 PRESSAVG: 1032800 -25.9259 11.3714 22.9439 11.3714 -43.6102 26.4734 22.9439 26.4733 51.9423 GPRESSAVG: 1032800 -26.8294 11.3154 21.3784 11.0619 -42.193 29.4691 23.5351 27.2158 51.6443 TIMING: 1032800 CPU: 3063.82, 0.00299933/step Wall: 3063.82, 0.00299933/step, 3.30526 hours remaining, 205.796875 MB of memory in use. ENERGY: 1032800 759.5037 2118.7545 1938.0595 117.5631 -206178.7522 17889.5059 0.0000 0.0000 34116.0958 -149239.2697 297.9444 -183355.3656 -149141.8462 298.8626 7.7555 44.3840 557942.3233 -5.8646 -5.7927 PRESSURE: 1033000 139.114 -108.576 14.92 -108.576 191.914 -94.4993 14.9205 -94.4992 -170.279 GPRESSURE: 1033000 185.702 -38.1826 63.02 -158.976 187.268 -22.0589 73.9784 -8.67513 -98.9902 PRESSAVG: 1033000 -32.9719 12.4597 17.1743 12.4596 -16.7074 -17.4304 17.1744 -17.4304 39.4094 GPRESSAVG: 1033000 -32.684 12.6605 17.8501 11.6395 -18.2327 -18.355 16.9166 -17.7865 40.4058 TIMING: 1033000 CPU: 3064.41, 0.00297683/step Wall: 3064.41, 0.00297683/step, 3.2803 hours remaining, 205.796875 MB of memory in use. ENERGY: 1033000 749.4440 2111.3885 1951.5245 118.4706 -206434.8997 18033.8074 0.0000 0.0000 34236.7708 -149233.4938 298.9982 -183470.2646 -149140.6750 299.7301 53.5829 91.3265 558071.0226 -3.4233 -3.5036 PRESSURE: 1033200 -126.428 140.162 -179.496 140.163 -74.6528 -17.9106 -179.497 -17.9095 -358.501 GPRESSURE: 1033200 -113.079 138.285 -151.394 177.437 -51.6085 -24.5383 -128.774 -99.754 -295.495 PRESSAVG: 1033200 -67.6026 26.3746 20.1111 26.3746 55.4683 23.5249 20.1111 23.5249 -23.7221 GPRESSAVG: 1033200 -67.6497 26.8526 17.9956 27.8422 55.6806 23.559 20.4753 22.675 -23.6539 TIMING: 1033200 CPU: 3065.01, 0.00297958/step Wall: 3065.01, 0.00297958/step, 3.28317 hours remaining, 205.796875 MB of memory in use. ENERGY: 1033200 778.6097 2088.1685 1919.6378 114.0050 -205947.9619 17632.4381 0.0000 0.0000 34217.8519 -149197.2508 298.8330 -183415.1027 -149109.1187 299.7384 -186.5272 -153.3942 559578.3002 -11.9521 -11.8743 PRESSURE: 1033400 -82.9755 -88.8431 -18.4195 -88.8436 17.8988 -100.952 -18.4191 -100.951 191.952 GPRESSURE: 1033400 -39.6569 -142.588 -61.0101 -125.941 19.2659 -216.799 -11.8636 -119.505 256.297 PRESSAVG: 1033400 -43.8566 16.5221 -31.8222 16.522 22.8502 -28.0006 -31.8221 -28.0006 -0.447733 GPRESSAVG: 1033400 -44.2493 16.3582 -31.1243 16.9107 22.5172 -27.2399 -29.4879 -28.2234 -0.16671 TIMING: 1033400 CPU: 3065.6, 0.00297152/step Wall: 3065.6, 0.00297152/step, 3.27412 hours remaining, 205.796875 MB of memory in use. ENERGY: 1033400 706.6583 2087.1519 1953.7071 113.5105 -206236.8385 17861.3231 0.0000 0.0000 34352.4284 -149162.0593 300.0083 -183514.4876 -149070.3572 299.1874 42.2918 78.6353 557339.8479 -7.1514 -7.2996 PRESSURE: 1033600 -133.455 -84.6161 49.255 -84.616 -48.4019 114.563 49.2557 114.563 -248.023 GPRESSURE: 1033600 -122.29 -77.7505 55.4602 -2.95946 -52.8836 23.3658 -11.7371 146.284 -157.288 PRESSAVG: 1033600 -0.188888 -22.7615 -37.387 -22.7614 -21.933 -4.09808 -37.3871 -4.09812 42.7966 GPRESSAVG: 1033600 1.20554 -23.8003 -38.1584 -23.8461 -21.1799 -5.88537 -38.6769 -1.56147 41.3474 TIMING: 1033600 CPU: 3066.19, 0.00296344/step Wall: 3066.19, 0.00296344/step, 3.26505 hours remaining, 205.796875 MB of memory in use. ENERGY: 1033600 755.4423 2056.3975 1944.1068 116.9444 -205983.2557 17680.6605 0.0000 0.0000 34207.6884 -149222.0159 298.7443 -183429.7044 -149125.4836 299.1165 -143.2934 -110.8204 557897.2399 6.8916 7.1244 PRESSURE: 1033800 -124.655 52.7048 26.3909 52.7045 -346.989 72.3645 26.3912 72.3636 -68.9067 GPRESSURE: 1033800 -90.876 104.82 9.62296 39.4887 -286.151 85.1106 -37.021 1.32823 -80.188 PRESSAVG: 1033800 21.1503 -1.10431 4.15948 -1.10441 34.0093 8.15843 4.1595 8.15838 -8.46192 GPRESSAVG: 1033800 21.38 2.05205 6.26118 -2.26553 34.1504 10.3399 1.6785 5.40274 -8.95903 TIMING: 1033800 CPU: 3066.79, 0.00296134/step Wall: 3066.79, 0.00296134/step, 3.26257 hours remaining, 205.796875 MB of memory in use. ENERGY: 1033800 768.6824 2092.9464 1944.4944 106.3713 -205841.6329 17540.0405 0.0000 0.0000 34132.2333 -149256.8647 298.0853 -183389.0980 -149155.5775 298.8061 -180.1835 -152.4051 557354.4971 15.5659 15.5238 PRESSURE: 1034000 14.869 16.996 59.8815 16.9964 306.196 -87.0058 59.8817 -87.0071 -74.2488 GPRESSURE: 1034000 149.645 147.456 32.3419 -84.6575 288.757 -87.1173 35.424 -38.9496 -109.424 PRESSAVG: 1034000 -66.7036 30.6495 81.9056 30.6496 27.6715 -28.7703 81.9055 -28.7704 35.1698 GPRESSAVG: 1034000 -67.83 28.6255 82.2869 33.106 28.2455 -29.2171 82.8294 -29.3671 35.5333 TIMING: 1034000 CPU: 3067.38, 0.00294393/step Wall: 3067.38, 0.00294393/step, 3.24323 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: 1034000 775.0906 2119.6705 1925.1290 109.9779 -206353.8051 17893.1145 0.0000 0.0000 34478.5622 -149052.2605 301.1099 -183530.8227 -148959.7526 298.5386 82.2720 109.6595 556845.3430 -1.2875 -1.3504 PRESSURE: 1034200 -89.8626 92.5197 50.5965 92.5196 -55.5736 96.8713 50.5976 96.8705 -219.101 GPRESSURE: 1034200 -30.2856 71.9065 126.314 73.4455 -17.7312 170.471 -0.273078 79.2649 -214.333 PRESSAVG: 1034200 6.82138 12.7271 -8.51597 12.7271 -30.67 38.7111 -8.51597 38.7111 19.7788 GPRESSAVG: 1034200 6.7445 13.7357 -11.2191 10.8602 -30.8173 36.9854 -7.27256 42.0656 19.5167 TIMING: 1034200 CPU: 3067.97, 0.00296749/step Wall: 3067.97, 0.00296749/step, 3.26902 hours remaining, 205.796875 MB of memory in use. ENERGY: 1034200 758.3837 2089.2666 1944.5919 95.9566 -205986.1670 17694.8035 0.0000 0.0000 34357.0409 -149046.1238 300.0486 -183403.1647 -148949.6947 299.3261 -121.5124 -87.4498 556688.9167 -1.3566 -1.5187 PRESSURE: 1034400 -302.884 -80.0666 226.011 -80.068 45.2449 -36.183 226.011 -36.1832 9.34592 GPRESSURE: 1034400 -219.208 -145.17 203.437 -88.8877 38.7358 65.86 246.416 -71.4224 42.3086 PRESSAVG: 1034400 -27.7161 57.8008 16.4908 57.8008 28.426 5.57433 16.4909 5.57433 -16.5631 GPRESSAVG: 1034400 -27.2792 56.5155 19.2228 59.282 28.4519 5.07887 16.4806 3.27108 -16.4574 TIMING: 1034400 CPU: 3068.56, 0.00294623/step Wall: 3068.56, 0.00294623/step, 3.24544 hours remaining, 205.796875 MB of memory in use. ENERGY: 1034400 768.3362 2078.2461 1939.7731 109.2652 -206156.8306 17658.2856 0.0000 0.0000 34165.3585 -149437.5659 298.3746 -183602.9243 -149343.5793 298.5245 -82.7644 -46.0545 555883.0304 -5.2844 -5.0949 PRESSURE: 1034600 -31.4843 -94.1583 85.554 -94.1581 167.352 2.3332 85.5539 2.33253 -171.962 GPRESSURE: 1034600 34.4392 -19.1339 62.4651 -164.323 181.703 15.0717 59.9248 -26.4644 -149.238 PRESSAVG: 1034600 13.8981 2.46043 -25.2215 2.4604 46.0616 5.05139 -25.2215 5.05144 -57.757 GPRESSAVG: 1034600 12.9468 3.5503 -26.3126 1.86866 45.0494 6.96378 -25.5545 5.11791 -55.824 TIMING: 1034600 CPU: 3069.15, 0.00293604/step Wall: 3069.15, 0.00293604/step, 3.23405 hours remaining, 205.796875 MB of memory in use. ENERGY: 1034600 777.3914 2055.7894 1912.5798 110.6786 -206194.4290 17975.0184 0.0000 0.0000 34122.5988 -149240.3726 298.0011 -183362.9714 -149149.6366 298.7198 -12.0315 22.3015 558126.4134 0.7342 0.7240 PRESSURE: 1034800 97.1193 229.095 -119.933 229.096 242.061 195.296 -119.933 195.295 -95.884 GPRESSURE: 1034800 98.071 208.24 -150.41 156.877 332.333 162.885 -84.431 194.045 -96.1424 PRESSAVG: 1034800 -63.863 -30.6581 13.9527 -30.6581 45.1055 25.8811 13.9528 25.8812 35.4613 GPRESSAVG: 1034800 -62.9668 -30.3781 12.8769 -30.4153 45.4431 27.217 14.9984 25.3561 34.0854 TIMING: 1034800 CPU: 3069.73, 0.00292433/step Wall: 3069.73, 0.00292433/step, 3.22099 hours remaining, 205.796875 MB of memory in use. ENERGY: 1034800 771.8046 2119.0041 1951.1382 110.9247 -206053.3127 17791.4214 0.0000 0.0000 34188.3690 -149120.6508 298.5755 -183309.0198 -149023.2472 299.4944 81.0987 111.4207 556398.6652 5.5679 5.5206 PRESSURE: 1035000 -8.03568 27.5075 42.8279 27.5073 -259.905 102.359 42.8281 102.358 124.718 GPRESSURE: 1035000 71.1117 60.9849 59.3514 48.4625 -218.363 133.771 8.68761 80.5344 97.2184 PRESSAVG: 1035000 44.115 33.7527 -28.0229 33.7527 26.2835 17.4236 -28.023 17.4236 -28.5542 GPRESSAVG: 1035000 43.8388 33.6466 -25.3436 34.3089 25.9425 18.2929 -31.1712 16.4291 -28.4394 TIMING: 1035000 CPU: 3070.32, 0.00293223/step Wall: 3070.32, 0.00293223/step, 3.22952 hours remaining, 205.796875 MB of memory in use. ENERGY: 1035000 724.5118 2080.4624 1923.3943 107.6984 -205970.6121 17656.8712 0.0000 0.0000 34122.9188 -149354.7551 298.0039 -183477.6740 -149260.8836 298.9616 -47.7409 -16.6775 557670.3832 13.9481 13.7806 PRESSURE: 1035200 26.9358 -197.877 41.4791 -197.876 -77.198 84.5862 41.4783 84.5871 -287.225 GPRESSURE: 1035200 24.6923 -138.374 53.5112 -193.542 -46.4053 12.0355 -19.8685 135.56 -227.661 PRESSAVG: 1035200 52.1535 -28.9564 8.02995 -28.9564 28.7088 21.2249 8.02992 21.2251 -79.1674 GPRESSAVG: 1035200 51.9279 -31.1355 6.54729 -30.5185 28.1408 19.3448 10.6607 23.104 -78.1155 TIMING: 1035200 CPU: 3070.91, 0.00295104/step Wall: 3070.91, 0.00295104/step, 3.25008 hours remaining, 205.796875 MB of memory in use. ENERGY: 1035200 696.9525 2070.5943 1956.4352 108.3183 -205656.5965 17378.5135 0.0000 0.0000 34056.0783 -149389.7045 297.4202 -183445.7827 -149297.9185 298.8263 -112.4957 -83.1247 557695.9848 0.5650 0.6511 PRESSURE: 1035400 183.337 2.85406 -66.7499 2.85421 124.924 -203.526 -66.7499 -203.527 -33.7993 GPRESSURE: 1035400 239.869 -18.7226 -110.078 -89.5124 116.364 -178.054 10.0017 -145.073 8.59475 PRESSAVG: 1035400 73.4728 -9.00286 -19.4726 -9.00293 5.80859 -42.4621 -19.4727 -42.4621 -62.7762 GPRESSAVG: 1035400 74.792 -5.70474 -17.959 -9.27228 5.6077 -40.8811 -22.3537 -44.6964 -63.5799 TIMING: 1035400 CPU: 3071.5, 0.00298655/step Wall: 3071.5, 0.00298655/step, 3.28903 hours remaining, 205.796875 MB of memory in use. ENERGY: 1035400 780.4713 1997.3674 1981.8419 125.9727 -206227.8788 18007.1509 0.0000 0.0000 33881.5548 -149453.5197 295.8960 -183335.0746 -149357.4282 298.2181 91.4871 121.6091 556072.9628 5.5017 5.6066 PRESSURE: 1035600 -230.308 47.0827 -45.7862 47.0818 -203.692 204.767 -45.7871 204.767 -290.657 GPRESSURE: 1035600 -201.893 46.2172 -40.3648 119.571 -196.685 198.95 5.41493 208.177 -238.306 PRESSAVG: 1035600 21.6629 25.609 -0.0305988 25.6091 -24.1043 -21.1497 -0.0305706 -21.1497 -28.4293 GPRESSAVG: 1035600 21.4192 24.3815 -1.3821 26.9995 -23.4495 -22.7981 2.53761 -20.6364 -28.3467 TIMING: 1035600 CPU: 3072.1, 0.00297227/step Wall: 3072.1, 0.00297227/step, 3.27313 hours remaining, 205.796875 MB of memory in use. ENERGY: 1035600 765.8875 2085.8711 1932.9622 124.7948 -206057.2300 17626.4511 0.0000 0.0000 34277.4334 -149243.8299 299.3534 -183521.2633 -149141.2770 298.4001 -241.5524 -212.2946 558749.8650 -10.2902 -10.1257 PRESSURE: 1035800 102.582 55.908 -61.6142 55.9076 -44.5352 -4.97952 -61.6121 -4.97957 -10.8187 GPRESSURE: 1035800 136.27 128.511 15.3864 -27.3521 -69.2474 43.8768 -31.0031 -13.9034 68.2139 PRESSAVG: 1035800 -21.0426 58.3603 74.373 58.3603 10.2476 -5.03155 74.373 -5.03161 43.7638 GPRESSAVG: 1035800 -21.4101 57.6916 73.7883 59.6066 10.4632 -4.50594 74.0415 -2.79466 44.0442 TIMING: 1035800 CPU: 3072.69, 0.00297076/step Wall: 3072.69, 0.00297076/step, 3.2713 hours remaining, 205.796875 MB of memory in use. ENERGY: 1035800 665.2574 2132.0940 1920.1256 120.7584 -206153.8215 17638.6487 0.0000 0.0000 34264.5514 -149412.3859 299.2408 -183676.9373 -149315.8358 299.2794 15.7427 45.0787 556580.8243 10.9896 11.0324 PRESSURE: 1036000 162.68 -156.474 162.745 -156.473 244.601 18.172 162.744 18.1719 48.2514 GPRESSURE: 1036000 150.081 -246.646 81.0025 -91.6896 270.053 -23.9905 247.978 63.6433 136.095 PRESSAVG: 1036000 -12.6318 -6.32786 39.9856 -6.32788 11.759 -9.30602 39.9856 -9.3059 -2.99462 GPRESSAVG: 1036000 -12.7631 -6.11264 39.2229 -6.81854 12.2401 -10.8793 39.3346 -9.54479 -2.68583 TIMING: 1036000 CPU: 3073.29, 0.00300194/step Wall: 3073.29, 0.00300194/step, 3.30546 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: 1036000 704.8659 2112.8450 1935.9657 118.6282 -206440.6121 17844.3977 0.0000 0.0000 34338.4880 -149385.4216 299.8866 -183723.9096 -149287.2026 298.7018 151.8443 185.4096 556544.7985 -1.2891 -1.0696 PRESSURE: 1036200 -190.047 82.2608 -103.437 82.261 -104.523 -16.6457 -103.437 -16.646 170.867 GPRESSURE: 1036200 -121.41 69.8055 -112.845 53.5477 -88.6518 -72.684 -104.972 19.9445 191.267 PRESSAVG: 1036200 15.7094 1.47016 -30.9696 1.47024 1.48625 35.9172 -30.9696 35.9171 -0.709332 GPRESSAVG: 1036200 16.0953 3.38529 -29.9813 -1.18174 2.16123 38.2964 -32.3888 34.3663 -2.29742 TIMING: 1036200 CPU: 3073.89, 0.00298491/step Wall: 3073.89, 0.00298491/step, 3.28655 hours remaining, 205.796875 MB of memory in use. ENERGY: 1036200 730.4147 2050.5206 1905.7025 111.9784 -206344.7710 17879.9725 0.0000 0.0000 34342.7994 -149323.3828 299.9242 -183666.1822 -149224.4308 299.4755 -41.2344 -6.2649 557948.6482 5.4954 5.3197 LDB: ============= START OF LOAD BALANCING ============== 3077.32 LDB: ============== END OF LOAD BALANCING =============== 3077.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3077.32 LDB: ============= START OF LOAD BALANCING ============== 3077.61 LDB: Largest compute 4848 load 0.030734 is 26.1% of average load 0.117812 LDB: Average compute 0.001746 is 1.5% of average load 0.117812 LDB: TIME 3077.62 LOAD: AVG 0.117812 MAX 0.196867 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.762 MB LDB: TIME 3077.62 LOAD: AVG 0.117812 MAX 0.196867 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: TIME 3077.62 LOAD: AVG 0.117812 MAX 0.196867 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.77 MB LDB: ============== END OF LOAD BALANCING =============== 3077.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3077.62 PRESSURE: 1036400 230.635 -150.173 -69.7273 -150.173 117.004 -29.8459 -69.7266 -29.8449 11.6791 GPRESSURE: 1036400 310.075 -141.806 -15.2888 -158.349 114.731 -32.2473 -47.1868 -8.76328 25.9567 PRESSAVG: 1036400 32.968 13.8242 -14.0464 13.8243 -53.9527 -9.39827 -14.0464 -9.39831 13.6485 GPRESSAVG: 1036400 33.8602 11.4149 -14.1257 15.4943 -55.3841 -12.0575 -12.6553 -8.4973 15.0917 TIMING: 1036400 CPU: 3074.49, 0.00301915/step Wall: 3074.49, 0.00301915/step, 3.32408 hours remaining, 205.359375 MB of memory in use. ENERGY: 1036400 707.9829 2100.5731 1971.9792 119.4438 -206469.5942 18036.1991 0.0000 0.0000 34197.8991 -149335.5169 298.6588 -183533.4160 -149245.0045 298.0735 119.7728 150.2541 558633.2971 -2.4454 -2.1440 PRESSURE: 1036600 113.875 -111.674 -62.9518 -111.673 62.596 -52.6999 -62.9516 -52.6991 -0.85176 GPRESSURE: 1036600 145.786 -89.5211 -131.213 -95.706 116.71 -15.4826 -36.0262 -57.3892 3.52479 PRESSAVG: 1036600 44.2392 -17.9697 -42.4735 -17.9696 -90.5818 -34.2065 -42.4735 -34.2066 33.8228 GPRESSAVG: 1036600 43.4783 -18.5076 -43.3605 -17.8025 -91.1925 -31.8688 -42.9417 -35.7528 34.4738 TIMING: 1036600 CPU: 3075.09, 0.00298856/step Wall: 3075.09, 0.00298856/step, 3.29024 hours remaining, 205.562500 MB of memory in use. ENERGY: 1036600 704.1218 2150.0410 1935.5118 117.8618 -205885.9628 17746.1550 0.0000 0.0000 33954.2194 -149278.0518 296.5306 -183232.2713 -149182.8593 298.4060 58.5398 88.6738 557529.2511 -4.1733 -4.4134 PRESSURE: 1036800 -227.34 76.119 34.2522 76.1195 -195.661 93.6999 34.2524 93.7013 -72.6669 GPRESSURE: 1036800 -253.232 -50.675 35.5698 187.037 -120.122 117.427 42.7341 29.047 -22.2197 PRESSAVG: 1036800 -3.29652 -1.79358 -12.5394 -1.79353 -22.3571 22.1512 -12.5394 22.1512 -15.8728 GPRESSAVG: 1036800 -3.51996 0.145735 -11.8013 -1.71225 -21.0142 21.0017 -11.5248 22.347 -17.1799 TIMING: 1036800 CPU: 3075.69, 0.0029722/step Wall: 3075.69, 0.0029722/step, 3.27206 hours remaining, 205.562500 MB of memory in use. ENERGY: 1036800 704.4995 2113.2165 1966.1894 110.1328 -205960.1821 17509.2684 0.0000 0.0000 34291.8448 -149265.0306 299.4792 -183556.8754 -149175.0528 298.6198 -165.2225 -131.8580 558066.4620 -13.8421 -13.9047 PRESSURE: 1037000 118.705 -46.8053 40.9784 -46.8059 -229.724 37.6796 40.9785 37.6797 -324.724 GPRESSURE: 1037000 150.205 -18.7936 114.099 -42.2804 -221.773 92.5925 1.30966 56.8197 -271.595 PRESSAVG: 1037000 18.6667 -16.2932 -17.2946 -16.2933 -25.7764 1.84554 -17.2947 1.8455 73.4104 GPRESSAVG: 1037000 18.3644 -14.2393 -18.3948 -17.9642 -25.8269 2.604 -16.9354 2.15926 73.4077 TIMING: 1037000 CPU: 3076.28, 0.00296396/step Wall: 3076.28, 0.00296396/step, 3.26283 hours remaining, 205.562500 MB of memory in use. ENERGY: 1037000 725.9316 2142.9055 1953.1892 107.6068 -205978.3754 17641.5396 0.0000 0.0000 34271.0368 -149136.1659 299.2975 -183407.2027 -149039.9989 299.5004 -145.2476 -114.3877 558510.4320 22.1002 21.9817 PRESSURE: 1037200 -222.237 -82.6031 -23.9004 -82.6022 -137.657 157.682 -23.8999 157.681 -260.973 GPRESSURE: 1037200 -155.439 -103.637 4.96854 -135.879 -124.35 160.36 -55.1315 67.1013 -242.456 PRESSAVG: 1037200 87.7635 37.1063 13.3019 37.1063 -51.7361 -37.3712 13.3019 -37.371 -63.0281 GPRESSAVG: 1037200 88.6517 33.7784 15.6089 39.0893 -52.6214 -37.9747 13.0501 -37.4093 -62.5889 TIMING: 1037200 CPU: 3076.87, 0.00295715/step Wall: 3076.87, 0.00295715/step, 3.25517 hours remaining, 205.562500 MB of memory in use. ENERGY: 1037200 719.8894 2145.9221 1971.5602 109.7333 -205757.0679 17593.3247 0.0000 0.0000 34033.6656 -149182.9726 297.2245 -183216.6382 -149084.4080 299.5760 -206.9555 -174.0817 559291.2743 -9.0002 -8.8529 PRESSURE: 1037400 100.562 -14.7122 183.317 -14.713 -78.757 -29.5888 183.316 -29.5888 135.452 GPRESSURE: 1037400 120.326 -11.2241 117.362 -47.4044 -58.6453 -18.0474 123.071 -48.4723 183.997 PRESSAVG: 1037400 13.5208 -46.0235 11.3583 -46.0235 30.7127 -17.3034 11.3583 -17.3034 -8.68853 GPRESSAVG: 1037400 12.6601 -47.0124 11.9295 -45.1982 31.2001 -15.6687 8.69376 -17.022 -8.57097 TIMING: 1037400 CPU: 3077.46, 0.00296394/step Wall: 3077.46, 0.00296394/step, 3.26247 hours remaining, 205.562500 MB of memory in use. ENERGY: 1037400 717.3055 2102.6603 1937.4588 131.2004 -206353.8778 18018.6524 0.0000 0.0000 34372.7347 -149073.8657 300.1856 -183446.6004 -148975.0498 299.2383 52.4190 81.8925 557932.3265 11.8483 11.7631 PRESSURE: 1037600 138.465 -97.9496 -131.805 -97.9492 48.4344 -48.426 -131.805 -48.4266 -149.431 GPRESSURE: 1037600 154.4 -102.466 -137.086 -99.3359 62.1752 -2.45649 -34.0355 -37.1947 -83.0078 PRESSAVG: 1037600 8.7098 -37.2248 -0.306588 -37.2249 -16.9185 35.6744 -0.306668 35.6744 40.899 GPRESSAVG: 1037600 8.85404 -36.3833 -1.44731 -39.4017 -17.6939 34.2757 2.11401 37.0787 41.5734 TIMING: 1037600 CPU: 3078.06, 0.00296551/step Wall: 3078.06, 0.00296551/step, 3.26404 hours remaining, 205.562500 MB of memory in use. ENERGY: 1037600 746.7789 2121.9427 1939.3001 106.8241 -206113.0121 17784.7301 0.0000 0.0000 34268.2469 -149145.1893 299.2731 -183413.4362 -149043.8633 299.2701 12.4893 44.5223 558416.2796 10.8968 10.9112 PRESSURE: 1037800 -153.162 43.6328 -20.8648 43.6345 -18.6216 -52.8017 -20.8643 -52.8026 -171.539 GPRESSURE: 1037800 -108.544 125.409 25.8553 -32.5886 -30.0225 46.7307 -81.2627 -157.722 -115.102 PRESSAVG: 1037800 77.7643 1.19115 1.73362 1.19118 -35.0811 -24.9417 1.7335 -24.9417 -43.2156 GPRESSAVG: 1037800 77.6123 0.612756 0.19941 3.53394 -34.4972 -25.9867 2.5835 -25.1419 -44.1122 TIMING: 1037800 CPU: 3078.64, 0.00293839/step Wall: 3078.64, 0.00293839/step, 3.23402 hours remaining, 205.562500 MB of memory in use. ENERGY: 1037800 741.8072 2167.3207 1930.6271 117.1779 -205675.7945 17454.3712 0.0000 0.0000 34088.1962 -149176.2941 297.7007 -183264.4903 -149086.1521 299.4748 -114.4409 -84.5561 556005.8609 -0.1774 -0.3324 PRESSURE: 1038000 193.292 84.9498 -122.045 84.9493 -132.808 -36.049 -122.044 -36.0503 0.548549 GPRESSURE: 1038000 180.201 2.00775 -72.2441 206.107 -70.2959 -141.225 -135.54 57.3312 45.7066 PRESSAVG: 1038000 82.9811 -4.28762 27.2274 -4.28771 -25.4932 26.5315 27.2275 26.5314 -38.7811 GPRESSAVG: 1038000 82.2987 -2.2232 28.3263 -5.80099 -25.0533 27.139 28.4375 27.453 -38.4209 TIMING: 1038000 CPU: 3079.23, 0.00293679/step Wall: 3079.23, 0.00293679/step, 3.2321 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: 1038000 742.1786 2105.3251 1966.2171 102.4885 -206102.8298 17800.6186 0.0000 0.0000 34365.2405 -149020.7614 300.1202 -183386.0019 -148923.3006 299.7738 20.3442 51.8706 556839.9478 6.2356 6.2748 PRESSURE: 1038200 78.2602 149.087 77.3139 149.087 80.864 142.845 77.3144 142.846 164.386 GPRESSURE: 1038200 95.7681 46.6599 76.1162 261.37 114.828 151.797 71.427 169.325 210.522 PRESSAVG: 1038200 -51.9753 60.765 -31.7483 60.7651 4.3386 25.3169 -31.7483 25.317 94.5493 GPRESSAVG: 1038200 -52.0625 59.4992 -32.3513 62.551 4.90349 24.8199 -33.9679 24.3828 94.3893 TIMING: 1038200 CPU: 3079.83, 0.00296573/step Wall: 3079.83, 0.00296573/step, 3.26378 hours remaining, 205.562500 MB of memory in use. ENERGY: 1038200 720.3098 2078.3940 1946.6425 110.7412 -206190.7369 17880.4812 0.0000 0.0000 34517.9679 -148936.2003 301.4540 -183454.1682 -148850.2912 300.1042 107.8367 140.3729 557171.3350 15.6375 15.7434 PRESSURE: 1038400 -483.954 187.467 -4.41665 187.467 -136.498 -122.966 -4.41717 -122.966 -139.138 GPRESSURE: 1038400 -395.032 214.321 54.9579 156.367 -175.27 -158.773 -60.8614 -102.47 -102.169 PRESSAVG: 1038400 -57.0437 25.3531 31.4806 25.3531 67.6342 -22.219 31.4807 -22.2189 -12.9156 GPRESSAVG: 1038400 -55.8812 26.4049 29.7404 23.6968 67.1581 -21.2283 32.3568 -19.6363 -13.522 TIMING: 1038400 CPU: 3080.42, 0.00295853/step Wall: 3080.42, 0.00295853/step, 3.25569 hours remaining, 205.562500 MB of memory in use. ENERGY: 1038400 768.7780 2025.2854 1949.1222 125.0043 -205973.4932 17545.7900 0.0000 0.0000 34561.8785 -148997.6349 301.8375 -183559.5134 -148901.3841 300.1812 -253.1966 -224.1571 559350.0467 -0.7750 -0.7484 PRESSURE: 1038600 -268.434 -58.1628 -94.7196 -58.1625 150.429 -56.4889 -94.7204 -56.4893 230.017 GPRESSURE: 1038600 -214.155 -72.7698 -118.212 -77.7818 142.813 -75.882 -88.6916 -0.183281 275.68 PRESSAVG: 1038600 -80.8047 4.34441 40.2504 4.3443 -21.5811 29.4982 40.2504 29.4981 85.458 GPRESSAVG: 1038600 -80.7521 3.5672 42.8252 4.34435 -21.9642 29.2954 38.4587 26.2597 85.782 TIMING: 1038600 CPU: 3081.01, 0.00295028/step Wall: 3081.01, 0.00295028/step, 3.24646 hours remaining, 205.562500 MB of memory in use. ENERGY: 1038600 760.9913 2036.5589 1945.8306 131.0079 -205880.1882 17856.1539 0.0000 0.0000 34166.3341 -148983.3116 298.3831 -183149.6456 -148883.2499 299.5250 37.3376 68.1129 558636.5442 -5.6426 -5.6448 PRESSURE: 1038800 144.046 -175.458 177.642 -175.458 70.6305 -0.568038 177.643 -0.568885 100.253 GPRESSURE: 1038800 181.321 -184.207 255.035 -149.174 145.78 141.269 41.611 -77.5821 91.0033 PRESSAVG: 1038800 -62.4429 1.085 27.2057 1.08498 70.7618 -27.191 27.2057 -27.191 13.6233 GPRESSAVG: 1038800 -62.8924 0.827678 26.3202 1.77596 70.4911 -27.2826 27.1651 -26.1041 14.5326 TIMING: 1038800 CPU: 3081.6, 0.00294406/step Wall: 3081.6, 0.00294406/step, 3.23945 hours remaining, 205.562500 MB of memory in use. ENERGY: 1038800 718.2595 2098.5799 1930.8097 98.5298 -206325.1257 18045.4398 0.0000 0.0000 34409.4990 -149024.0079 300.5067 -183433.5069 -148921.4930 300.0728 104.9766 139.3679 557729.8697 7.3141 7.3771 PRESSURE: 1039000 220.203 107.166 90.5267 107.166 -15.8395 -44.7515 90.5257 -44.7507 152.066 GPRESSURE: 1039000 282.15 81.4769 -2.84513 106.546 -13.1181 -134.233 99.7618 -12.889 184.678 PRESSAVG: 1039000 41.0938 11.0623 23.6212 11.0623 -39.1129 17.6374 23.6212 17.6375 -18.3845 GPRESSAVG: 1039000 40.7331 9.59567 25.1365 12.5855 -37.7311 16.7 24.0977 16.1885 -19.899 TIMING: 1039000 CPU: 3082.19, 0.0029499/step Wall: 3082.19, 0.0029499/step, 3.24571 hours remaining, 205.562500 MB of memory in use. ENERGY: 1039000 735.4716 2103.4857 1932.3634 110.0114 -206238.5647 18057.0237 0.0000 0.0000 34339.9245 -148960.2845 299.8991 -183300.2090 -148865.6186 299.9993 118.8099 151.2366 557009.1482 -5.4679 -5.6323 PRESSURE: 1039200 38.5857 -78.6015 -25.7586 -78.601 1.72781 -97.1939 -25.7588 -97.1951 -45.3868 GPRESSURE: 1039200 88.8205 -103.93 -35.4429 -77.3714 54.4757 -104.128 0.821001 -118.594 -47.6276 PRESSAVG: 1039200 64.8387 -15.7438 -1.35922 -15.7438 -4.11816 2.00094 -1.35928 2.00106 -72.7816 GPRESSAVG: 1039200 64.8924 -13.9401 -0.400533 -19.4792 -5.57315 4.10385 -1.94455 3.2456 -71.3929 TIMING: 1039200 CPU: 3082.78, 0.00295499/step Wall: 3082.78, 0.00295499/step, 3.25115 hours remaining, 205.562500 MB of memory in use. ENERGY: 1039200 730.3424 2065.5134 1923.5518 110.9201 -205941.9164 17765.8476 0.0000 0.0000 34382.1309 -148963.6102 300.2677 -183345.7411 -148865.7819 299.4927 -1.6911 31.8896 558623.6484 -4.0203 -4.0246 PRESSURE: 1039400 -83.7812 56.8675 -52.3495 56.8676 108.743 -108.118 -52.35 -108.118 -87.0582 GPRESSURE: 1039400 -42.007 71.2572 -48.4733 47.0906 129.949 0.74785 -112.136 -88.7076 -74.7812 PRESSAVG: 1039400 -18.9705 5.80543 24.1682 5.80551 25.6425 13.7608 24.1682 13.7607 -2.97283 GPRESSAVG: 1039400 -19.3384 6.28938 24.1954 5.71657 26.4208 13.1638 26.5779 11.2146 -3.59872 TIMING: 1039400 CPU: 3083.36, 0.0029397/step Wall: 3083.36, 0.0029397/step, 3.23416 hours remaining, 205.562500 MB of memory in use. ENERGY: 1039400 715.5542 2111.5685 1913.7112 111.2735 -205915.5714 17768.7520 0.0000 0.0000 34250.2077 -149044.5044 299.1156 -183294.7121 -148957.4886 299.7129 -20.6990 4.3868 558182.4605 1.2331 1.1612 PRESSURE: 1039600 368.784 -91.5987 121.596 -91.5992 78.5021 7.41647 121.596 7.41828 87.3371 GPRESSURE: 1039600 408.146 -143.058 124.934 -73.7495 95.961 12.5993 151.89 -8.52403 129.101 PRESSAVG: 1039600 16.6665 24.6244 48.4303 24.6244 58.732 34.9331 48.4303 34.9333 -36.3801 GPRESSAVG: 1039600 16.323 24.3645 48.0435 26.0293 58.8031 33.8145 45.9859 35.4955 -36.5117 TIMING: 1039600 CPU: 3083.96, 0.00296244/step Wall: 3083.96, 0.00296244/step, 3.25901 hours remaining, 205.562500 MB of memory in use. ENERGY: 1039600 735.8590 2144.9451 1966.0013 109.9951 -206274.8033 18076.0747 0.0000 0.0000 34276.6332 -148965.2949 299.3464 -183241.9281 -148869.5683 300.2590 178.2077 211.0695 556910.5458 13.0061 12.8715 PRESSURE: 1039800 -19.3834 33.8096 2.14937 33.8095 -156.025 89.5868 2.14926 89.5856 -93.4375 GPRESSURE: 1039800 61.2771 90.9434 -38.2594 27.7913 -183.834 169.534 91.0867 36.8044 -50.2378 PRESSAVG: 1039800 82.3061 16.824 -40.6813 16.824 13.0321 -6.29377 -40.6813 -6.29377 -60.9964 GPRESSAVG: 1039800 83.869 16.0911 -41.1506 18.1023 11.9381 -6.02428 -37.6448 -5.40551 -61.0116 TIMING: 1039800 CPU: 3084.55, 0.00296156/step Wall: 3084.55, 0.00296156/step, 3.25788 hours remaining, 205.562500 MB of memory in use. ENERGY: 1039800 784.3040 2109.1366 1962.0711 110.7714 -205960.4268 17745.8113 0.0000 0.0000 34210.3698 -149037.9626 298.7677 -183248.3324 -148940.4720 299.5957 -89.6152 -57.5981 557798.5652 11.4473 11.5985 PRESSURE: 1040000 -51.5303 45.1707 73.1659 45.171 -46.1653 35.0741 73.1672 35.0739 25.729 GPRESSURE: 1040000 18.2143 27.3078 104.777 100.577 -46.2333 20.3837 146.98 42.8785 64.7539 PRESSAVG: 1040000 46.6367 6.47186 42.7714 6.47189 -39.6847 9.03132 42.7714 9.03138 16.4954 GPRESSAVG: 1040000 46.7984 7.03418 40.0559 6.60469 -40.1819 10.8734 42.1472 7.78489 16.8845 TIMING: 1040000 CPU: 3085.14, 0.0029692/step Wall: 3085.14, 0.0029692/step, 3.26612 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: 1040000 757.0762 2101.0355 1961.3158 122.7837 -206042.5494 17817.2880 0.0000 0.0000 34308.3431 -148974.7070 299.6233 -183283.0502 -148876.3534 300.4079 -23.9889 12.2450 557702.3857 7.8158 7.8337 PRESSURE: 1040200 5.03684 -158.068 -140.928 -158.067 54.5805 75.0813 -140.928 75.081 31.657 GPRESSURE: 1040200 55.5274 -176.449 -112.277 -124.162 105.452 86.0382 -71.9185 40.9922 27.7503 PRESSAVG: 1040200 25.4652 35.7165 12.1706 35.7166 -40.251 18.4481 12.1706 18.4482 15.9005 GPRESSAVG: 1040200 25.3679 35.6171 16.1827 34.5232 -39.2694 16.2942 13.2139 19.0522 15.0621 TIMING: 1040200 CPU: 3085.73, 0.00295903/step Wall: 3085.73, 0.00295903/step, 3.25477 hours remaining, 205.562500 MB of memory in use. ENERGY: 1040200 766.5515 2101.6427 1943.8128 125.4132 -206157.9456 18010.0586 0.0000 0.0000 34276.6401 -148933.8267 299.3464 -183210.4668 -148832.0196 299.6326 30.4248 62.9098 559411.5661 0.3716 0.3869 LDB: ============= START OF LOAD BALANCING ============== 3089.16 LDB: ============== END OF LOAD BALANCING =============== 3089.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3089.16 LDB: ============= START OF LOAD BALANCING ============== 3089.46 LDB: Largest compute 4848 load 0.029166 is 24.7% of average load 0.117908 LDB: Average compute 0.001747 is 1.5% of average load 0.117908 LDB: TIME 3089.46 LOAD: AVG 0.117908 MAX 0.196057 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 3089.46 LOAD: AVG 0.117908 MAX 0.196057 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: TIME 3089.46 LOAD: AVG 0.117908 MAX 0.196057 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3089.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3089.46 PRESSURE: 1040400 -0.494237 -153.298 67.8897 -153.299 84.5261 168.714 67.8893 168.715 -93.3343 GPRESSURE: 1040400 67.7035 -278.842 51.7034 -103.424 77.5733 269.418 74.5056 130.421 -65.0339 PRESSAVG: 1040400 22.204 2.2928 1.31982 2.29279 -101.126 12.597 1.31986 12.597 39.2592 GPRESSAVG: 1040400 21.1917 2.33835 0.100852 2.28292 -101.446 14.7244 1.03186 12.8341 40.0666 TIMING: 1040400 CPU: 3086.33, 0.00299764/step Wall: 3086.33, 0.00299764/step, 3.29707 hours remaining, 205.417969 MB of memory in use. ENERGY: 1040400 742.1278 2055.2620 1934.8758 104.4463 -206262.3897 17909.8878 0.0000 0.0000 34391.2190 -149124.5710 300.3471 -183515.7900 -149029.3571 299.1935 -3.1008 26.7476 557795.6867 -13.2208 -13.3958 PRESSURE: 1040600 -117.613 -142.154 1.3771 -142.153 -91.5167 -32.1301 1.37617 -32.1307 278.297 GPRESSURE: 1040600 -21.825 -133.966 71.826 -60.4221 -98.3589 -123.471 43.464 -27.8645 280.348 PRESSAVG: 1040600 18.0492 -46.8941 24.8963 -46.894 -18.7099 4.87513 24.8962 4.87508 -15.3449 GPRESSAVG: 1040600 18.4966 -46.3686 24.4867 -47.4947 -17.6996 4.01057 24.4918 7.64373 -16.8388 TIMING: 1040600 CPU: 3086.92, 0.00292686/step Wall: 3086.92, 0.00292686/step, 3.21906 hours remaining, 205.417969 MB of memory in use. ENERGY: 1040600 763.7790 2099.5712 1907.8706 113.5847 -206394.8239 18125.8254 0.0000 0.0000 34424.7923 -148959.4007 300.6403 -183384.1930 -148865.0095 299.6928 23.0560 53.3880 557649.8183 -5.3352 -5.3473 PRESSURE: 1040800 -256.127 41.0516 -62.5556 41.0523 -233.046 -25.1464 -62.5552 -25.146 -442.77 GPRESSURE: 1040800 -202.901 90.4396 -3.21675 53.4469 -193.927 14.0629 -85.5752 46.0032 -429.296 PRESSAVG: 1040800 2.81595 -3.90745 -36.7245 -3.90743 -54.7017 -35.0041 -36.7246 -35.0042 28.1913 GPRESSAVG: 1040800 3.40972 -4.56521 -36.8154 -3.34754 -55.0586 -35.0066 -37.3351 -36.7494 28.4575 TIMING: 1040800 CPU: 3087.51, 0.00293966/step Wall: 3087.51, 0.00293966/step, 3.23297 hours remaining, 205.417969 MB of memory in use. ENERGY: 1040800 747.9492 2103.1457 1928.9425 110.2758 -205855.9717 17378.8050 0.0000 0.0000 34444.8473 -149142.0063 300.8154 -183586.8536 -149044.9964 299.4075 -310.6476 -275.3746 559109.1621 -7.8981 -7.7305 PRESSURE: 1041000 30.2218 39.9951 -55.6684 39.9944 -13.4891 -84.1139 -55.6673 -84.1159 -13.2586 GPRESSURE: 1041000 27.0221 18.2276 25.3008 39.2654 52.4126 -66.7758 71.2023 -69.1407 4.66198 PRESSAVG: 1041000 40.235 -24.1408 -9.49921 -24.1408 20.9067 -18.4428 -9.49925 -18.4428 -23.4177 GPRESSAVG: 1041000 39.6262 -25.6806 -8.10877 -22.5514 21.3902 -18.7095 -8.23195 -17.9498 -23.0713 TIMING: 1041000 CPU: 3088.1, 0.00296748/step Wall: 3088.1, 0.00296748/step, 3.2634 hours remaining, 205.417969 MB of memory in use. ENERGY: 1041000 760.0377 2041.5682 1926.6432 129.9817 -206377.4097 17964.9477 0.0000 0.0000 34345.3112 -149208.9200 299.9461 -183554.2312 -149109.6857 299.1144 1.1580 28.0323 557005.4198 12.5747 12.6483 PRESSURE: 1041200 -103.121 65.1351 53.392 65.1346 177.623 -200.801 53.3915 -200.801 46.3629 GPRESSURE: 1041200 -74.2919 59.7721 1.45281 133.019 220.528 -172.987 138.65 -131.561 70.0428 PRESSAVG: 1041200 11.6967 -36.8513 14.4829 -36.8513 -92.1461 13.1927 14.483 13.1927 25.4333 GPRESSAVG: 1041200 12.0597 -35.9527 13.1626 -37.632 -92.5718 13.3977 13.9235 14.2471 25.6574 TIMING: 1041200 CPU: 3088.7, 0.00297568/step Wall: 3088.7, 0.00297568/step, 3.27225 hours remaining, 205.417969 MB of memory in use. ENERGY: 1041200 790.3988 2070.0074 1959.8423 110.1759 -206378.2167 17853.9461 0.0000 0.0000 34407.3325 -149186.5138 300.4878 -183593.8463 -149095.5595 298.8900 40.2884 72.0930 558012.4741 -18.3387 -18.2849 PRESSURE: 1041400 -82.3189 119.993 -160.673 119.992 -344.214 -38.9432 -160.672 -38.9441 240.737 GPRESSURE: 1041400 -52.4167 195.442 -102.82 161.837 -270.721 -17.6573 -165.315 -71.2146 227.562 PRESSAVG: 1041400 -1.34892 -13.4128 -36.2355 -13.4127 38.847 25.8462 -36.2356 25.8462 -21.2483 GPRESSAVG: 1041400 -1.78299 -11.6345 -36.1109 -14.1759 40.1655 25.6579 -35.9451 24.5715 -22.4514 TIMING: 1041400 CPU: 3089.29, 0.00296071/step Wall: 3089.29, 0.00296071/step, 3.25563 hours remaining, 205.417969 MB of memory in use. ENERGY: 1041400 729.6654 2119.3021 1909.6226 107.4021 -205906.9677 17781.2129 0.0000 0.0000 34212.9508 -149046.8117 298.7902 -183259.7625 -148956.4707 299.3387 -61.9319 -31.8583 557303.6016 5.4166 5.3104 PRESSURE: 1041600 73.5645 -14.9548 89.9162 -14.9545 -64.5948 116.423 89.9162 116.425 -22.1362 GPRESSURE: 1041600 122.92 -46.3538 107.526 -124.086 -32.2574 73.8717 152.977 288.987 -14.4805 PRESSAVG: 1041600 15.5399 15.8411 -41.3455 15.841 -10.1744 16 -41.3455 16.0002 -5.23938 GPRESSAVG: 1041600 16.9971 12.9964 -40.3335 13.2213 -10.9697 15.7008 -42.8778 16.195 -5.45869 TIMING: 1041600 CPU: 3089.88, 0.00294754/step Wall: 3089.88, 0.00294754/step, 3.24098 hours remaining, 205.417969 MB of memory in use. ENERGY: 1041600 798.2299 2038.2951 1927.7366 111.6676 -206333.9033 17963.1562 0.0000 0.0000 34345.5612 -149149.2567 299.9483 -183494.8179 -149056.1234 300.3792 -4.3889 25.3941 558041.7065 0.0420 0.1896 PRESSURE: 1041800 -92.1712 -10.0444 -20.1275 -10.0461 -359.297 -90.8118 -20.1275 -90.8125 -100.342 GPRESSURE: 1041800 -53.4103 -87.5863 -137.01 45.3272 -285.842 -0.521072 49.1564 -178.35 -102.622 PRESSAVG: 1041800 13.3748 -38.4444 35.3158 -38.4445 0.412735 17.0733 35.3159 17.0734 -84.0955 GPRESSAVG: 1041800 13.221 -37.0659 34.8909 -35.6736 -0.0239351 17.1965 34.2685 17.2987 -83.1142 TIMING: 1041800 CPU: 3090.47, 0.00296662/step Wall: 3090.47, 0.00296662/step, 3.2618 hours remaining, 205.417969 MB of memory in use. ENERGY: 1041800 751.2884 2084.2700 1942.1020 118.0718 -206187.4353 17574.3861 0.0000 0.0000 34613.0267 -149104.2904 302.2842 -183717.3171 -149004.8622 299.6384 -183.9367 -147.2913 558217.5000 -23.4360 -23.3057 PRESSURE: 1042000 -77.7783 -67.8103 70.6469 -67.8108 8.6067 73.4015 70.6461 73.4036 4.59952 GPRESSURE: 1042000 -54.5183 -68.9309 55.02 -89.5681 31.338 71.6993 53.8287 -5.20432 66.8115 PRESSAVG: 1042000 59.2868 -70.0684 -10.3875 -70.0683 -56.909 -33.4014 -10.3874 -33.4015 30.5775 GPRESSAVG: 1042000 59.7413 -68.3974 -10.439 -70.4165 -56.5525 -33.1754 -7.81522 -33.792 30.8206 TIMING: 1042000 CPU: 3091.06, 0.00296226/step Wall: 3091.06, 0.00296226/step, 3.25684 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: 1042000 756.8915 2045.7144 1959.1396 104.1860 -206155.9218 17866.3517 0.0000 0.0000 34256.4353 -149167.2033 299.1700 -183423.6386 -149078.1495 299.0062 -21.5240 14.5437 557775.8458 10.9851 11.3365 PRESSURE: 1042200 -198.564 -112.756 -93.6192 -112.756 -78.7064 17.1773 -93.618 17.1762 -147.798 GPRESSURE: 1042200 -213.086 -166.988 -92.8988 -112.056 -2.29491 106.476 -58.2152 5.52622 -105.156 PRESSAVG: 1042200 42.9729 -35.7851 7.85617 -35.7851 -1.48029 -27.2478 7.85618 -27.2475 -17.6062 GPRESSAVG: 1042200 42.9776 -36.0222 6.4495 -35.3456 -2.07645 -26.3841 6.38462 -27.4847 -16.8252 TIMING: 1042200 CPU: 3091.66, 0.0029608/step Wall: 3091.66, 0.0029608/step, 3.25507 hours remaining, 205.417969 MB of memory in use. ENERGY: 1042200 754.7556 2076.3669 1918.6463 111.7536 -205968.4293 17498.0774 0.0000 0.0000 34410.5752 -149198.2544 300.5161 -183608.8296 -149088.7574 299.7951 -141.6896 -106.8458 557212.8109 7.9621 8.0253 PRESSURE: 1042400 -64.4825 19.0804 246.377 19.0819 -86.9153 -88.6342 246.376 -88.6344 -265.04 GPRESSURE: 1042400 -7.20305 42.6254 223.459 -2.07092 -59.5601 -99.618 256.187 -14.7495 -252.409 PRESSAVG: 1042400 -1.17105 22.6242 51.2372 22.6243 41.6588 -18.2351 51.2371 -18.2351 -30.856 GPRESSAVG: 1042400 -1.94624 23.4072 50.63 22.9742 43.1163 -19.4553 51.3952 -16.7041 -31.0977 TIMING: 1042400 CPU: 3092.25, 0.00295119/step Wall: 3092.25, 0.00295119/step, 3.24435 hours remaining, 205.417969 MB of memory in use. ENERGY: 1042400 766.6263 2097.8476 1930.9365 139.1287 -205941.7285 17487.4615 0.0000 0.0000 34274.6232 -149245.1048 299.3288 -183519.7279 -149154.4507 299.3900 -138.8125 -106.3906 557457.1836 3.2106 3.3574 PRESSURE: 1042600 -64.0865 113.763 38.4762 113.761 59.4111 181.05 38.4759 181.049 -110.048 GPRESSURE: 1042600 7.12677 130.94 63.8079 119.848 67.0089 165.196 94.1074 217.015 -86.9581 PRESSAVG: 1042600 -16.6097 2.50928 -5.66486 2.50923 -44.9943 -33.9188 -5.66494 -33.9187 -4.76545 GPRESSAVG: 1042600 -16.4565 1.36135 -3.96981 2.48507 -44.9813 -33.5425 -5.06669 -35.6867 -5.06068 TIMING: 1042600 CPU: 3092.84, 0.00297445/step Wall: 3092.84, 0.00297445/step, 3.26975 hours remaining, 205.417969 MB of memory in use. ENERGY: 1042600 728.3171 2026.3440 1942.0429 93.8214 -206043.6700 17773.2383 0.0000 0.0000 34302.5510 -149177.3551 299.5727 -183479.9062 -149082.6832 300.0572 -38.2412 -4.2741 558255.6195 -22.1232 -22.1662 PRESSURE: 1042800 -38.2343 -125.635 -54.0112 -125.633 144.571 -71.8922 -54.0114 -71.893 211.153 GPRESSURE: 1042800 13.7215 -88.556 -46.8771 -136.248 184.468 -14.2306 2.64423 -96.341 213.092 PRESSAVG: 1042800 44.7018 10.3846 13.7419 10.3847 -42.571 -0.741209 13.7419 -0.741078 -28.1742 GPRESSAVG: 1042800 45.4792 10.5088 14.4391 10.2718 -43.3637 -0.175043 11.5321 -1.28696 -28.4605 TIMING: 1042800 CPU: 3093.44, 0.00297264/step Wall: 3093.44, 0.00297264/step, 3.2676 hours remaining, 205.417969 MB of memory in use. ENERGY: 1042800 760.0879 2054.2587 1950.3793 114.7425 -206381.6910 18040.1644 0.0000 0.0000 34425.8437 -149036.2147 300.6495 -183462.0584 -148943.3061 299.7913 105.8298 137.0939 556746.4282 -8.6812 -8.7817 PRESSURE: 1043000 -62.2063 120.47 -19.5234 120.47 -1.28922 -143.16 -19.524 -143.16 -193.526 GPRESSURE: 1043000 -58.1185 168.828 2.72335 43.0191 59.5234 -45.3277 7.00634 -161.179 -160.529 PRESSAVG: 1043000 31.4886 28.4712 -18.7637 28.4713 19.5485 40.2619 -18.7637 40.262 -22.9485 GPRESSAVG: 1043000 31.2761 27.0698 -17.2516 29.2866 20.4464 41.3702 -15.8868 39.5734 -23.9808 TIMING: 1043000 CPU: 3094.03, 0.00294964/step Wall: 3094.03, 0.00294964/step, 3.24215 hours remaining, 205.417969 MB of memory in use. ENERGY: 1043000 744.1513 2064.3700 1907.6098 106.1198 -205807.8227 17682.5666 0.0000 0.0000 34293.9899 -149009.0154 299.4979 -183303.0053 -148908.2641 300.1897 -85.6737 -53.0415 557224.8332 9.3629 9.2473 PRESSURE: 1043200 -45.7883 133.291 -60.5731 133.291 -88.4511 66.7762 -60.5734 66.7759 36.1485 GPRESSURE: 1043200 -6.09769 76.6264 -48.4594 108.417 -73.385 -1.71384 -18.0503 157.298 86.5021 PRESSAVG: 1043200 7.72448 46.1277 1.05962 46.1276 -29.4639 -51.9347 1.05966 -51.9348 7.08724 GPRESSAVG: 1043200 8.03003 46.4371 0.172058 45.5255 -30.2585 -52.4485 -0.51929 -50.416 7.81258 TIMING: 1043200 CPU: 3094.62, 0.00298971/step Wall: 3094.62, 0.00298971/step, 3.28602 hours remaining, 205.417969 MB of memory in use. ENERGY: 1043200 737.1643 2045.2186 1937.1934 116.0307 -206134.5123 17915.0766 0.0000 0.0000 34274.7822 -149109.0465 299.3302 -183383.8288 -149017.3162 299.6261 -32.6970 2.3398 558850.7972 -4.8841 -4.8053 PRESSURE: 1043400 21.9441 7.60192 60.7763 7.60149 -278.346 -80.0574 60.7765 -80.0562 148.036 GPRESSURE: 1043400 51.3685 -36.9157 148.767 27.6033 -248.64 -58.5665 69.8536 -151.573 188.294 PRESSAVG: 1043400 65.6252 -0.987465 17.3871 -0.987458 -66.6937 11.3916 17.3872 11.3916 12.2954 GPRESSAVG: 1043400 64.486 0.195057 16.9796 -3.4778 -65.9221 10.7601 17.5792 11.8738 12.593 TIMING: 1043400 CPU: 3095.22, 0.00297209/step Wall: 3095.22, 0.00297209/step, 3.26649 hours remaining, 205.417969 MB of memory in use. ENERGY: 1043400 723.3878 2073.8922 1931.8087 115.8731 -206158.4350 17756.8813 0.0000 0.0000 34303.7184 -149252.8735 299.5829 -183556.5919 -149163.6726 299.6001 -36.1222 -2.9926 556862.9674 3.7423 3.7190 PRESSURE: 1043600 -52.9348 70.5084 133.069 70.5071 -39.6343 -128.933 133.069 -128.932 -62.7602 GPRESSURE: 1043600 -50.728 88.8828 146.912 31.3879 1.72086 -104.523 70.7718 -137.452 -0.767082 PRESSAVG: 1043600 21.5254 32.4636 5.69976 32.4636 -17.4404 -13.3892 5.69963 -13.3892 -15.0234 GPRESSAVG: 1043600 22.0393 30.6174 4.30816 35.6635 -17.9336 -12.4296 5.08545 -14.616 -14.9764 TIMING: 1043600 CPU: 3095.81, 0.00296504/step Wall: 3095.81, 0.00296504/step, 3.25858 hours remaining, 205.417969 MB of memory in use. ENERGY: 1043600 723.5392 2068.2438 1946.5092 105.3318 -205831.6499 17652.3718 0.0000 0.0000 34032.6149 -149303.0391 297.2153 -183335.6540 -149203.1979 298.9855 -51.7764 -16.5914 557192.4551 -3.6461 -3.6236 PRESSURE: 1043800 -49.0122 -47.1908 40.8338 -47.1913 -161.745 -112.3 40.833 -112.3 -132.07 GPRESSURE: 1043800 -34.5328 -86.6699 -30.2723 -91.9667 -134.206 -38.8108 -21.8147 -145.47 -81.2093 PRESSAVG: 1043800 -47.6806 15.892 -21.9641 15.892 50.4007 0.0316515 -21.9641 0.031506 12.7691 GPRESSAVG: 1043800 -46.9565 17.08 -20.9129 13.9294 50.7979 -0.601963 -23.3358 1.15088 12.0795 TIMING: 1043800 CPU: 3096.41, 0.00297028/step Wall: 3096.41, 0.00297028/step, 3.26417 hours remaining, 205.417969 MB of memory in use. ENERGY: 1043800 762.8618 2076.5790 1942.5518 114.0493 -205973.7461 17659.0509 0.0000 0.0000 34121.8122 -149296.8412 297.9943 -183418.6533 -149201.2224 299.0808 -114.2758 -83.3159 558357.6613 5.1631 5.3070 PRESSURE: 1044000 -175.644 45.4336 -60.3081 45.4336 -95.7071 140.625 -60.3091 140.625 -92.6547 GPRESSURE: 1044000 -145.447 65.1264 8.28011 71.4593 -24.7404 54.0813 -97.0511 166.666 -93.7211 PRESSAVG: 1044000 -11.8646 37.4862 9.82521 37.4862 11.2531 45.242 9.8252 45.242 -24.7176 GPRESSAVG: 1044000 -12.5642 36.225 11.6329 38.7341 10.2469 44.1932 9.90509 45.3871 -22.7582 TIMING: 1044000 CPU: 3097, 0.0029854/step Wall: 3097, 0.0029854/step, 3.28062 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: 1044000 770.9874 2089.7488 1935.9899 119.4456 -205982.1273 17713.8283 0.0000 0.0000 34187.7249 -149164.4023 298.5699 -183352.1272 -149062.7808 299.4925 -121.3351 -87.9696 558993.0779 -8.4430 -8.3585 PRESSURE: 1044200 136.876 79.6727 66.1715 79.6718 -297.957 18.3853 66.1711 18.3849 -3.27117 GPRESSURE: 1044200 206.386 34.2005 89.0837 101.655 -240.217 57.7746 49.9368 -18.9082 -25.9687 PRESSAVG: 1044200 2.82376 2.70343 -3.6362 2.7035 -61.8957 10.631 -3.63628 10.631 55.1369 GPRESSAVG: 1044200 3.45751 3.49697 -5.32078 2.48839 -61.4753 10.3466 -3.09638 9.66263 53.9575 TIMING: 1044200 CPU: 3097.6, 0.0029935/step Wall: 3097.6, 0.0029935/step, 3.28935 hours remaining, 205.417969 MB of memory in use. ENERGY: 1044200 742.5511 2048.7720 1936.0200 112.9209 -205836.7240 17758.4901 0.0000 0.0000 34076.6820 -149161.2878 297.6001 -183237.9698 -149064.6354 299.5601 -54.7839 -19.9331 557546.8922 -1.3117 -1.3534 LDB: ============= START OF LOAD BALANCING ============== 3101.03 LDB: ============== END OF LOAD BALANCING =============== 3101.03 LDB: =============== DONE WITH MIGRATION ================ 3101.03 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 3101.33 LDB: Largest compute 4848 load 0.029280 is 24.8% of average load 0.117871 LDB: Average compute 0.001744 is 1.5% of average load 0.117871 LDB: TIME 3101.33 LOAD: AVG 0.117871 MAX 0.199048 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.469 MB LDB: TIME 3101.33 LOAD: AVG 0.117871 MAX 0.199049 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.473 MB LDB: TIME 3101.33 LOAD: AVG 0.117871 MAX 0.199049 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3101.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3101.33 PRESSURE: 1044400 -8.43764 72.3922 -122.43 72.3925 -2.07564 84.63 -122.43 84.6295 132.198 GPRESSURE: 1044400 71.8706 124.653 -208.247 68.1867 -18.7776 118.112 -60.0021 42.0729 163.51 PRESSAVG: 1044400 -10.7711 2.76347 -0.664356 2.76344 -14.6532 17.9443 -0.664436 17.9445 41.0666 GPRESSAVG: 1044400 -11.139 1.47127 -1.46761 3.09942 -13.9313 19.7086 -0.066014 17.8767 40.7356 TIMING: 1044400 CPU: 3098.21, 0.00302302/step Wall: 3098.21, 0.00302302/step, 3.32163 hours remaining, 205.921875 MB of memory in use. ENERGY: 1044400 774.8934 2093.0673 1959.7221 115.0663 -205972.2746 17766.2908 0.0000 0.0000 34196.1403 -149067.0945 298.6434 -183263.2347 -148970.9456 299.0258 40.5617 72.2008 556375.6153 5.2141 5.2218 PRESSURE: 1044600 -140.932 101.138 55.2624 101.138 -222.669 -78.1049 55.2631 -78.1048 -338.259 GPRESSURE: 1044600 -82.4546 139.487 -13.0142 80.3445 -197.866 -178.47 89.4755 -13.196 -313.058 PRESSAVG: 1044600 -37.0884 11.0157 -0.760715 11.0157 38.8662 -64.3432 -0.76066 -64.3432 -9.20704 GPRESSAVG: 1044600 -37.9491 11.6492 0.664145 12.8505 37.9977 -67.7287 -0.895149 -62.3543 -7.64125 TIMING: 1044600 CPU: 3098.8, 0.00297281/step Wall: 3098.8, 0.00297281/step, 3.26629 hours remaining, 205.921875 MB of memory in use. ENERGY: 1044600 772.2939 1997.3004 1912.3887 116.6187 -205620.8639 17567.8072 0.0000 0.0000 34343.8657 -148910.5894 299.9335 -183254.4552 -148808.0001 299.3593 -233.9535 -197.7931 558685.6694 -2.4764 -2.5309 PRESSURE: 1044800 109.907 162.855 38.7991 162.856 -36.9811 174.135 38.7996 174.136 -30.9623 GPRESSURE: 1044800 111.937 108.681 103.09 192.115 -26.8102 140.957 35.4488 198.269 59.9246 PRESSAVG: 1044800 1.79373 18.1261 58.5105 18.1261 -38.4914 4.6501 58.5105 4.65009 -6.71989 GPRESSAVG: 1044800 1.67631 18.2756 59.0519 16.3357 -37.0077 7.45759 58.594 2.73269 -8.16007 TIMING: 1044800 CPU: 3099.4, 0.00298247/step Wall: 3099.4, 0.00298247/step, 3.27674 hours remaining, 205.921875 MB of memory in use. ENERGY: 1044800 727.1781 2062.0036 1940.5262 125.0336 -206417.0039 17948.2732 0.0000 0.0000 34444.0894 -149169.8999 300.8088 -183613.9893 -149075.3355 299.6531 13.9880 48.3505 558075.3650 -14.4725 -14.4972 PRESSURE: 1045000 92.1865 -0.721374 -33.3253 -0.720564 3.00473 -179.121 -33.3258 -179.12 -43.0014 GPRESSURE: 1045000 89.8854 136.185 -36.7067 -38.0569 31.2566 -222.966 -83.1074 -179.222 28.6397 PRESSAVG: 1045000 31.96 -49.0497 49.3619 -49.0496 -2.95666 -15.3204 49.3619 -15.3206 18.5748 GPRESSAVG: 1045000 31.4452 -49.214 46.7443 -48.0343 -2.45692 -15.044 49.6033 -15.9183 18.5055 TIMING: 1045000 CPU: 3099.99, 0.0029828/step Wall: 3099.99, 0.0029828/step, 3.27693 hours remaining, 205.921875 MB of memory in use. ENERGY: 1045000 727.5675 2101.0351 1911.4003 120.0742 -206069.6236 17739.6975 0.0000 0.0000 34370.8119 -149099.0372 300.1688 -183469.8491 -149000.6662 299.8267 17.3966 49.9272 557773.0620 15.8594 15.8313 PRESSURE: 1045200 -68.6565 59.667 92.2276 59.666 -48.6006 -26.1791 92.2276 -26.1796 -107.084 GPRESSURE: 1045200 -47.599 98.2348 81.0381 4.83492 7.16609 -153.22 69.5291 23.6146 -98.7498 PRESSAVG: 1045200 42.1964 -55.57 72.1043 -55.5699 -62.0872 -41.2183 72.1043 -41.2183 12.371 GPRESSAVG: 1045200 43.4125 -55.8712 73.6703 -58.0904 -63.1776 -41.7576 72.3087 -40.8401 12.4678 TIMING: 1045200 CPU: 3100.59, 0.00296997/step Wall: 3100.59, 0.00296997/step, 3.26267 hours remaining, 205.921875 MB of memory in use. ENERGY: 1045200 787.9024 2122.6565 1924.1158 108.0320 -206332.2977 17925.5027 0.0000 0.0000 34194.8372 -149269.2512 298.6320 -183464.0884 -149177.6643 299.7437 -74.7805 -46.3942 557032.9390 -2.5066 -2.4324 PRESSURE: 1045400 -236.521 67.4666 66.8703 67.4669 -27.2245 97.2008 66.8706 97.1993 -154.006 GPRESSURE: 1045400 -214.507 6.35656 -12.9618 52.5589 68.3534 79.2583 88.9283 163.844 -163.7 PRESSAVG: 1045400 62.3694 4.92037 16.6435 4.92039 -32.4145 49.8871 16.6436 49.887 10.2729 GPRESSAVG: 1045400 62.1682 4.47922 15.5643 4.99114 -32.1663 48.8306 17.725 50.056 10.6338 TIMING: 1045400 CPU: 3101.18, 0.00294125/step Wall: 3101.18, 0.00294125/step, 3.23096 hours remaining, 205.921875 MB of memory in use. ENERGY: 1045400 743.6411 2092.8015 1930.6067 106.1222 -206308.6601 17905.3709 0.0000 0.0000 34204.9847 -149325.1331 298.7206 -183530.1178 -149232.3802 299.0957 -139.2505 -103.2843 559298.0363 13.4093 13.5452 PRESSURE: 1045600 168.466 35.9053 -57.7406 35.9054 -33.9639 131.804 -57.7405 131.803 116.394 GPRESSURE: 1045600 186.589 27.8666 -62.7386 54.087 21.639 164.43 -14.5866 56.527 153.824 PRESSAVG: 1045600 -15.2395 40.0642 -18.4183 40.0643 5.02845 73.5445 -18.4183 73.5445 -10.8328 GPRESSAVG: 1045600 -16.4594 41.5243 -18.2419 41.0559 6.22836 73.6238 -18.9073 75.6267 -11.2615 TIMING: 1045600 CPU: 3101.77, 0.00295847/step Wall: 3101.77, 0.00295847/step, 3.24972 hours remaining, 205.921875 MB of memory in use. ENERGY: 1045600 712.4087 2063.2607 1888.3159 110.5193 -206266.6925 17915.8998 0.0000 0.0000 34249.2954 -149326.9928 299.1076 -183576.2882 -149236.7637 298.2578 83.6321 120.6841 559195.7446 -7.0146 -7.1642 PRESSURE: 1045800 164.451 2.85723 104.456 2.85657 -66.8781 107.149 104.456 107.149 -116.584 GPRESSURE: 1045800 199.218 -53.9747 88.6681 25.2665 -46.3518 97.4755 95.3098 136.62 -69.846 PRESSAVG: 1045800 27.0216 53.1328 -12.8364 53.1329 23.4242 24.7452 -12.8364 24.745 -24.4305 GPRESSAVG: 1045800 27.1964 53.6104 -13.1748 51.9597 22.1181 25.7614 -11.9848 23.0563 -23.7792 TIMING: 1045800 CPU: 3102.36, 0.00296428/step Wall: 3102.36, 0.00296428/step, 3.25593 hours remaining, 205.921875 MB of memory in use. ENERGY: 1045800 686.2223 2048.0229 1917.0906 112.6649 -205977.7180 17712.6755 0.0000 0.0000 34083.4736 -149417.5682 297.6595 -183501.0419 -149318.6183 298.2236 -6.3369 27.6733 558539.0334 8.6717 8.5118 PRESSURE: 1046000 177.082 81.572 85.1389 81.5734 104.544 -73.1935 85.1384 -73.1936 -41.9225 GPRESSURE: 1046000 170.568 60.676 74.8346 20.0421 134.367 -89.6971 73.8612 -33.1187 38.295 PRESSAVG: 1046000 39.96 35.1205 -2.86462 35.1205 -2.83874 66.2804 -2.86465 66.2804 -48.221 GPRESSAVG: 1046000 40.7699 33.6912 -2.05382 35.1263 -3.3596 65.1944 -4.04373 65.3977 -48.6129 TIMING: 1046000 CPU: 3102.96, 0.00299055/step Wall: 3102.96, 0.00299055/step, 3.28462 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: 1046000 722.0553 2075.4871 1921.2798 115.5265 -206333.4099 17823.6589 0.0000 0.0000 34205.6153 -149469.7870 298.7261 -183675.4023 -149374.2270 298.6256 79.9011 114.4099 556602.8777 -3.6999 -3.7342 PRESSURE: 1046200 86.2424 -19.4854 -57.6464 -19.4838 200.83 -73.7328 -57.6461 -73.7338 227.595 GPRESSURE: 1046200 103.686 -80.5711 -87.251 -18.7845 210.877 -91.5993 2.91857 -83.9484 307.729 PRESSAVG: 1046200 -13.056 15.6767 -23.5117 15.6766 -33.9687 -5.63261 -23.5117 -5.63277 0.419293 GPRESSAVG: 1046200 -13.7317 12.6679 -26.0105 17.7849 -33.904 -5.22194 -22.2938 -3.99846 1.20421 TIMING: 1046200 CPU: 3103.56, 0.00298794/step Wall: 3103.56, 0.00298794/step, 3.28159 hours remaining, 205.921875 MB of memory in use. ENERGY: 1046200 707.5712 2038.9281 1939.1506 102.8303 -206535.3292 18132.7277 0.0000 0.0000 34293.2458 -149320.8756 299.4914 -183614.1214 -149222.1347 298.4847 171.5559 207.4305 556715.4503 -15.5351 -15.4771 PRESSURE: 1046400 111.947 106.058 23.362 106.058 -3.63974 -21.9243 23.3627 -21.9238 296.889 GPRESSURE: 1046400 129.764 167.108 10.3552 47.7375 77.1473 -49.5875 48.3329 -74.8566 291.657 PRESSAVG: 1046400 13.4912 -21.5334 -4.86523 -21.5335 -30.9719 -25.7066 -4.86521 -25.7066 41.3268 GPRESSAVG: 1046400 13.0112 -18.5263 -5.42536 -23.6554 -31.3259 -25.2522 -4.52528 -25.3332 42.3607 TIMING: 1046400 CPU: 3104.15, 0.0029487/step Wall: 3104.15, 0.0029487/step, 3.23833 hours remaining, 205.921875 MB of memory in use. ENERGY: 1046400 739.0461 2059.3134 1941.4790 112.6371 -206316.9666 18126.7964 0.0000 0.0000 34374.2767 -148963.4180 300.1991 -183337.6946 -148871.7018 298.8197 135.0652 166.1895 558282.7372 7.9487 8.0153 PRESSURE: 1046600 -444.766 -23.0658 1.35441 -23.0665 -248.375 -125.541 1.35521 -125.543 166.992 GPRESSURE: 1046600 -369.906 -14.1897 52.2853 -37.9462 -223.236 -47.5087 6.09225 -196.862 151.206 PRESSAVG: 1046600 63.755 -30.5667 -55.9324 -30.5667 -31.8168 17.4986 -55.9324 17.4987 -3.38449 GPRESSAVG: 1046600 64.2986 -30.7426 -52.894 -28.4984 -29.7981 17.4919 -57.8873 14.9747 -6.04154 TIMING: 1046600 CPU: 3104.74, 0.00295416/step Wall: 3104.74, 0.00295416/step, 3.24416 hours remaining, 205.921875 MB of memory in use. ENERGY: 1046600 783.0135 2015.4800 1925.3839 106.8765 -206221.7218 17909.2026 0.0000 0.0000 34485.7906 -148995.9747 301.1730 -183481.7653 -148897.0902 299.2529 -175.3830 -147.3121 560105.1687 9.5179 9.4863 PRESSURE: 1046800 -160.004 42.6739 114.052 42.6732 -57.601 -80.1679 114.052 -80.1679 -211.917 GPRESSURE: 1046800 -70.4422 -5.53012 77.7218 22.3932 -26.2116 -96.9692 83.2646 -59.7804 -237.245 PRESSAVG: 1046800 -34.3861 -55.1057 10.5534 -55.1058 -11.5612 21.2275 10.5534 21.2274 75.8387 GPRESSAVG: 1046800 -33.6033 -53.8201 9.51219 -57.7381 -13.1095 19.2301 10.7811 22.8828 76.4007 TIMING: 1046800 CPU: 3105.33, 0.00296973/step Wall: 3105.33, 0.00296973/step, 3.26109 hours remaining, 205.921875 MB of memory in use. ENERGY: 1046800 776.4036 2033.9668 1911.7576 118.7770 -206020.3144 17828.0328 0.0000 0.0000 34320.0795 -149031.2970 299.7258 -183351.3765 -148944.6766 299.8686 -143.1741 -111.2995 560864.3899 9.9638 9.8960 PRESSURE: 1047000 -42.2766 -202.4 -135.295 -202.4 -247.984 129.887 -135.295 129.888 -22.2736 GPRESSURE: 1047000 57.2808 -171.633 -214.333 -204.135 -252.482 124.64 -91.594 205.381 -22.3606 PRESSAVG: 1047000 52.9455 3.25904 -15.4474 3.25903 -42.7726 -19.6661 -15.4472 -19.6661 -1.4484 GPRESSAVG: 1047000 52.3269 0.406877 -15.2009 6.3086 -43.0926 -18.8204 -13.1423 -19.5195 -0.0561197 TIMING: 1047000 CPU: 3105.92, 0.00297112/step Wall: 3105.92, 0.00297112/step, 3.26246 hours remaining, 205.921875 MB of memory in use. ENERGY: 1047000 762.8075 2071.9493 1937.7378 102.2175 -206015.0803 17688.9990 0.0000 0.0000 34358.3146 -149093.0546 300.0597 -183451.3692 -148997.9846 299.2703 -104.1781 -72.5205 559061.1413 2.9082 3.0594 PRESSURE: 1047200 103.197 15.1343 54.648 15.1357 201.904 -28.831 54.647 -28.8305 -29.3665 GPRESSURE: 1047200 109.539 -0.201536 83.3901 -23.0048 192.434 -149.348 -0.377017 65.9639 64.7866 PRESSAVG: 1047200 -6.27374 15.5519 3.35707 15.552 -9.9305 3.86925 3.35706 3.86929 3.59002 GPRESSAVG: 1047200 -7.15687 16.5955 4.17567 14.4965 -9.56301 5.61349 0.633302 3.88311 3.74686 TIMING: 1047200 CPU: 3106.52, 0.00295566/step Wall: 3106.52, 0.00295566/step, 3.24531 hours remaining, 205.921875 MB of memory in use. ENERGY: 1047200 722.5662 2048.0459 1920.1161 104.0872 -206397.6482 18144.9139 0.0000 0.0000 34342.4480 -149115.4709 299.9211 -183457.9189 -149016.7573 299.3862 91.9115 122.2530 558145.2651 -4.2047 -4.3243 PRESSURE: 1047400 23.2129 -6.92529 -81.8296 -6.92637 2.57335 -30.9151 -81.8294 -30.9148 -49.9676 GPRESSURE: 1047400 70.4663 13.3243 -54.4835 53.2987 74.1351 -3.44404 -172.563 -97.0886 -72.4219 PRESSAVG: 1047400 39.7873 -23.6595 -84.2379 -23.6593 -60.6017 6.26269 -84.238 6.26269 2.50661 GPRESSAVG: 1047400 40.445 -23.9264 -84.9453 -24.026 -60.2755 6.30114 -81.9897 5.48675 1.35607 TIMING: 1047400 CPU: 3107.1, 0.00292575/step Wall: 3107.1, 0.00292575/step, 3.21231 hours remaining, 205.921875 MB of memory in use. ENERGY: 1047400 722.4543 2067.5206 1928.0119 104.7898 -205786.3245 17654.0407 0.0000 0.0000 34114.0190 -149195.4882 297.9262 -183309.5072 -149092.3031 298.9154 -8.0604 24.0598 558591.4750 -6.1026 -6.1581 PRESSURE: 1047600 -183.502 -9.64295 130.582 -9.64231 -140.987 188.084 130.583 188.084 -170.805 GPRESSURE: 1047600 -187.557 -29.7089 196.566 21.3063 -91.612 82.6621 85.5799 234.501 -132.51 PRESSAVG: 1047600 7.18053 -96.0393 14.8189 -96.0392 -27.2119 -21.7151 14.8189 -21.7152 29.2508 GPRESSAVG: 1047600 6.29731 -95.5677 13.7592 -95.0349 -27.945 -25.0586 15.5207 -19.3234 30.5966 TIMING: 1047600 CPU: 3107.69, 0.00294618/step Wall: 3107.69, 0.00294618/step, 3.23457 hours remaining, 205.921875 MB of memory in use. ENERGY: 1047600 730.1809 2001.4960 1952.5945 108.5456 -206072.2171 17595.4580 0.0000 0.0000 34164.2383 -149519.7039 298.3648 -183683.9422 -149423.2315 298.3295 -165.0979 -137.2263 558601.4939 3.0731 2.9830 PRESSURE: 1047800 -144.718 -60.369 -8.47888 -60.3687 95.7414 -78.1767 -8.4798 -78.1768 61.6544 GPRESSURE: 1047800 -129.995 -63.447 13.2704 -48.2133 175.5 -51.3459 -72.2192 -94.9923 60.2187 PRESSAVG: 1047800 -36.749 -34.824 22.1893 -34.8239 11.3048 -60.3621 22.1892 -60.3621 56.7343 GPRESSAVG: 1047800 -35.7838 -33.0142 24.1202 -38.0686 11.3107 -57.6998 19.437 -62.2129 56.2626 TIMING: 1047800 CPU: 3108.28, 0.00295489/step Wall: 3108.28, 0.00295489/step, 3.24398 hours remaining, 205.921875 MB of memory in use. ENERGY: 1047800 709.6775 2046.8856 1921.7562 98.3937 -206347.5456 17833.7743 0.0000 0.0000 34275.8013 -149461.2571 299.3391 -183737.0583 -149362.0989 298.3039 4.2260 35.2413 558150.9405 10.4300 10.5965 PRESSURE: 1048000 249.667 36.5952 11.7047 36.5949 -26.962 -62.6989 11.7048 -62.6989 -37.4226 GPRESSURE: 1048000 210.226 67.1003 15.333 -31.653 1.8867 -109.502 -7.87595 -43.6053 74.639 PRESSAVG: 1048000 45.8006 22.4695 -8.2631 22.4696 -18.8356 0.159983 -8.26307 0.160002 -5.50903 GPRESSAVG: 1048000 44.2673 22.1446 -9.58869 23.5202 -16.7683 -0.220531 -7.97827 0.178827 -5.30612 TIMING: 1048000 CPU: 3108.87, 0.00296909/step Wall: 3108.87, 0.00296909/step, 3.2594 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: 1048000 723.9279 2021.0582 1954.5149 109.3241 -206322.2224 17954.9932 0.0000 0.0000 34328.4699 -149229.9342 299.7991 -183558.4041 -149130.8076 298.5068 61.7608 95.5841 558350.8775 7.1520 7.3976 PRESSURE: 1048200 -22.9583 2.74871 135.665 2.74952 -64.2681 -11.4953 135.665 -11.495 -59.6876 GPRESSURE: 1048200 -3.37042 -31.0218 136.056 48.1283 -5.77889 -58.879 172.833 32.1971 -39.448 PRESSAVG: 1048200 -6.00412 -2.50542 17.9762 -2.50547 -38.2153 11.6834 17.9762 11.6834 30.0799 GPRESSAVG: 1048200 -3.8646 -4.44236 16.6061 -2.83233 -39.1071 13.1371 19.9221 9.60191 29.454 TIMING: 1048200 CPU: 3109.47, 0.00297532/step Wall: 3109.47, 0.00297532/step, 3.26607 hours remaining, 205.921875 MB of memory in use. ENERGY: 1048200 763.5971 2056.3173 1954.4252 110.6803 -205968.7902 17760.9866 0.0000 0.0000 34040.4551 -149282.3288 297.2838 -183322.7839 -149186.6468 298.9944 -48.9714 -16.1991 559053.8312 -4.7132 -4.5059 LDB: ============= START OF LOAD BALANCING ============== 3112.89 LDB: ============== END OF LOAD BALANCING =============== 3112.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3112.9 LDB: ============= START OF LOAD BALANCING ============== 3113.19 LDB: Largest compute 4848 load 0.030053 is 25.5% of average load 0.117849 LDB: Average compute 0.001749 is 1.5% of average load 0.117849 LDB: TIME 3113.19 LOAD: AVG 0.117849 MAX 0.196916 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.016 MB LDB: TIME 3113.19 LOAD: AVG 0.117849 MAX 0.196916 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: TIME 3113.19 LOAD: AVG 0.117849 MAX 0.196916 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3113.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3113.2 PRESSURE: 1048400 -161.184 -109.087 75.863 -109.087 60.955 -57.927 75.8621 -57.926 -132.292 GPRESSURE: 1048400 -126.432 -21.9442 18.2876 -156.926 83.8629 -19.2018 69.6441 -56.3449 -95.8128 PRESSAVG: 1048400 21.2059 0.389853 29.1925 0.389809 8.029 5.01147 29.1925 5.01151 -30.4088 GPRESSAVG: 1048400 19.532 4.23893 30.1191 1.11299 8.6777 6.58319 27.0662 6.09087 -29.6764 TIMING: 1048400 CPU: 3110.07, 0.00298965/step Wall: 3110.07, 0.00298965/step, 3.28164 hours remaining, 205.023438 MB of memory in use. ENERGY: 1048400 767.8102 2071.9904 1924.9196 100.6102 -206437.8305 17990.8094 0.0000 0.0000 34221.3702 -149360.3204 298.8637 -183581.6906 -149266.6633 298.7362 -77.5071 -46.1274 557992.1277 -0.3913 -0.4889 PRESSURE: 1048600 -121.117 12.0045 -139.29 12.0039 -17.8747 46.251 -139.291 46.252 74.0712 GPRESSURE: 1048600 -174.509 44.3005 -105.973 52.0585 62.2922 36.1781 -128.879 106.07 131.624 PRESSAVG: 1048600 40.3405 -43.4872 -35.9278 -43.4871 34.0688 -33.8671 -35.9278 -33.8672 -23.3169 GPRESSAVG: 1048600 41.6347 -44.6925 -35.1683 -43.7153 33.5799 -35.4396 -36.0262 -34.1431 -23.9946 TIMING: 1048600 CPU: 3110.66, 0.00296239/step Wall: 3110.66, 0.00296239/step, 3.25155 hours remaining, 205.023438 MB of memory in use. ENERGY: 1048600 749.1793 2103.4618 1933.8708 118.8809 -206267.0474 17858.6445 0.0000 0.0000 34197.3101 -149305.7000 298.6536 -183503.0100 -149211.5950 298.8991 -21.6403 6.4691 558392.9363 17.0308 17.0733 PRESSURE: 1048800 35.0445 38.0225 72.2227 38.0231 -8.91729 -8.49778 72.2241 -8.49785 -178.875 GPRESSURE: 1048800 60.5068 -10.0547 50.206 78.1014 -19.2397 -43.9657 133.491 63.2357 -109.741 PRESSAVG: 1048800 -56.5674 13.5428 -22.4294 13.5428 49.7753 26.4754 -22.4293 26.4753 7.32755 GPRESSAVG: 1048800 -58.3508 14.5238 -20.8865 12.6791 50.9742 25.7035 -21.5936 28.0757 7.97154 TIMING: 1048800 CPU: 3111.26, 0.0029847/step Wall: 3111.26, 0.0029847/step, 3.27588 hours remaining, 205.023438 MB of memory in use. ENERGY: 1048800 738.9180 2044.4988 1961.1848 112.0064 -206024.0622 17700.3007 0.0000 0.0000 34171.2299 -149295.9236 298.4259 -183467.1536 -149209.7627 298.8840 -50.9159 -22.8245 558447.5516 0.1785 0.1983 PRESSURE: 1049000 49.6776 -55.9592 89.7984 -55.9589 -71.613 -172.945 89.7973 -172.944 19.0205 GPRESSURE: 1049000 35.0357 -86.0258 159.07 -24.2879 -24.7618 -181.604 61.2132 -152.43 89.4513 PRESSAVG: 1049000 -28.1141 6.83888 55.5009 6.83885 23.5282 51.8496 55.5009 51.8495 12.3577 GPRESSAVG: 1049000 -25.2152 6.66668 55.2871 6.62027 21.0673 52.0356 54.0987 52.222 11.9248 TIMING: 1049000 CPU: 3111.85, 0.00297445/step Wall: 3111.85, 0.00297445/step, 3.26446 hours remaining, 205.023438 MB of memory in use. ENERGY: 1049000 727.2962 2047.6255 1957.7053 118.0125 -206033.2434 17652.5474 0.0000 0.0000 34142.9063 -149387.1502 298.1785 -183530.0566 -149295.4806 298.9712 -0.9716 33.2417 555365.3650 2.5906 2.5923 PRESSURE: 1049200 -15.35 -34.7724 -1.30629 -34.7715 -80.077 47.9315 -1.30672 47.9309 -189.086 GPRESSURE: 1049200 -17.3609 -30.557 86.9812 -55.8581 -76.606 6.95242 -124.507 81.0111 -89.9685 PRESSAVG: 1049200 -5.80594 -6.63491 26.3219 -6.63487 50.7544 8.79224 26.3219 8.79223 -63.1266 GPRESSAVG: 1049200 -6.10812 -6.385 24.8866 -6.60454 50.9456 6.34032 29.4928 7.37639 -62.8591 TIMING: 1049200 CPU: 3112.44, 0.00296051/step Wall: 3112.44, 0.00296051/step, 3.24899 hours remaining, 205.023438 MB of memory in use. ENERGY: 1049200 802.1363 2046.1382 1948.6864 117.9933 -206472.6125 17830.8033 0.0000 0.0000 34164.2352 -149562.6199 298.3648 -183726.8550 -149457.9393 298.6263 -94.8376 -61.3118 557203.6948 -6.0594 -6.0072 PRESSURE: 1049400 280.901 48.292 109.463 48.2913 -55.2929 -60.8606 109.463 -60.861 5.11369 GPRESSURE: 1049400 294.08 40.1024 119.66 146.093 -68.4979 -80.8896 46.8583 -58.8773 90.0372 PRESSAVG: 1049400 98.338 -31.7377 11.5798 -31.7378 -46.8363 8.00615 11.5798 8.00612 -45.6701 GPRESSAVG: 1049400 96.6016 -34.2512 11.4565 -27.9888 -45.4738 9.50338 7.72388 9.71524 -45.5429 TIMING: 1049400 CPU: 3113.03, 0.00292219/step Wall: 3113.03, 0.00292219/step, 3.20678 hours remaining, 205.023438 MB of memory in use. ENERGY: 1049400 717.2962 2107.7577 1934.5400 112.3136 -206706.7746 17967.3964 0.0000 0.0000 34219.8366 -149647.6342 298.8503 -183867.4708 -149548.8238 297.5217 76.9071 105.2064 556934.0375 1.9439 1.8616 PRESSURE: 1049600 99.8831 113.993 -201.513 113.993 170.061 -137.069 -201.512 -137.07 436.192 GPRESSURE: 1049600 133.699 22.277 -191.432 170.989 272.685 -117.904 -204.626 -223.704 386.096 PRESSAVG: 1049600 20.4844 15.3381 26.3983 15.3381 -46.5822 43.3317 26.3983 43.3317 3.25571 GPRESSAVG: 1049600 21.9575 15.2209 25.739 12.3671 -47.9028 44.2711 28.3652 42.7063 3.28741 TIMING: 1049600 CPU: 3113.62, 0.00294227/step Wall: 3113.62, 0.00294227/step, 3.22865 hours remaining, 205.023438 MB of memory in use. ENERGY: 1049600 754.0620 2133.3235 1950.8636 120.8893 -207261.7901 18376.2371 0.0000 0.0000 34262.2939 -149664.1207 299.2211 -183926.4146 -149570.5227 298.5130 235.3788 264.1600 556818.0562 -7.6140 -7.5526 PRESSURE: 1049800 26.5485 -81.0377 60.2874 -81.0364 84.8427 76.1527 60.2877 76.152 338.114 GPRESSURE: 1049800 108.888 -48.6863 20.8703 -4.12692 101.334 22.9914 63.101 150.918 339.419 PRESSAVG: 1049800 -44.7583 30.3236 24.4708 30.3236 26.2971 42.262 24.4708 42.2621 41.3557 GPRESSAVG: 1049800 -44.4804 31.8527 26.1681 29.8848 26.7696 41.1751 24.6211 42.5457 40.7221 TIMING: 1049800 CPU: 3114.21, 0.00294935/step Wall: 3114.21, 0.00294935/step, 3.23625 hours remaining, 205.023438 MB of memory in use. ENERGY: 1049800 725.1751 2106.5850 1944.5675 112.6428 -206497.5634 17837.3810 0.0000 0.0000 34233.2991 -149537.9129 298.9679 -183771.2120 -149445.7928 298.7069 149.8351 183.2136 555554.8691 7.6315 7.6704 PRESSURE: 1050000 324.922 -76.7705 36.6442 -76.771 156.455 167.603 36.6418 167.602 191.908 GPRESSURE: 1050000 373.797 -59.6108 84.7577 -160.324 125.652 213.907 112.923 90.1054 276.389 PRESSAVG: 1050000 2.71774 4.15553 5.9036 4.15554 -46.3814 48.0615 5.90354 48.0614 84.2139 GPRESSAVG: 1050000 2.80403 4.13799 5.75072 3.01047 -46.6156 47.9455 4.72834 46.3373 84.3992 TIMING: 1050000 CPU: 3114.8, 0.00296/step Wall: 3114.8, 0.00296/step, 3.24777 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: 1050000 754.8613 2061.0983 1904.6326 116.2609 -206841.0647 18254.2871 0.0000 0.0000 34178.6577 -149571.2668 298.4907 -183749.9245 -149479.8244 298.2223 224.4284 258.6126 556712.7608 13.5167 13.5292 PRESSURE: 1050200 -107.613 -52.7073 55.9231 -52.7071 -179.002 -107.34 55.9232 -107.34 -81.0797 GPRESSURE: 1050200 -79.8276 -5.17069 113.181 -27.2626 -151.118 -81.4577 -7.24846 -150.758 -39.7104 PRESSAVG: 1050200 32.4033 49.018 7.27943 49.0179 -81.2867 62.6454 7.2794 62.6454 34.2867 GPRESSAVG: 1050200 32.711 47.6907 9.63561 50.1791 -81.7494 62.5279 6.27072 63.8776 34.8098 TIMING: 1050200 CPU: 3115.4, 0.00299436/step Wall: 3115.4, 0.00299436/step, 3.28531 hours remaining, 205.023438 MB of memory in use. ENERGY: 1050200 752.9994 2069.2027 1946.4977 128.2831 -206530.6548 17717.7760 0.0000 0.0000 34231.8005 -149684.0954 298.9548 -183915.8959 -149577.1236 298.1979 -122.5649 -90.2186 555956.1714 -4.8655 -4.7428 PRESSURE: 1050400 83.6291 -49.6676 128.61 -49.6673 139.167 16.3791 128.612 16.3796 147.578 GPRESSURE: 1050400 122.259 -49.9764 92.3792 -24.3732 190.319 51.0577 198.081 -21.1643 174.612 PRESSAVG: 1050400 -46.4527 4.00703 59.6665 4.00707 -21.4561 6.49754 59.6665 6.49755 65.5057 GPRESSAVG: 1050400 -47.4525 6.07489 56.466 4.18803 -20.1693 5.84626 60.9649 6.83807 65.2673 TIMING: 1050400 CPU: 3115.99, 0.00296067/step Wall: 3115.99, 0.00296067/step, 3.24818 hours remaining, 205.023438 MB of memory in use. ENERGY: 1050400 767.3219 2093.5827 1956.1849 112.1772 -206522.0145 17871.2160 0.0000 0.0000 34097.3527 -149624.1791 297.7807 -183721.5318 -149530.0342 296.9522 123.4582 162.3970 554076.1190 -0.8010 -0.7848 PRESSURE: 1050600 -278.003 -11.744 120.408 -11.7445 341.968 -43.6003 120.406 -43.6002 74.836 GPRESSURE: 1050600 -276.165 43.8949 11.9438 -145.454 336.969 -54.5718 150.532 -45.5149 186.018 PRESSAVG: 1050600 -37.5802 18.9567 10.2276 18.9567 25.6652 -14.3839 10.2275 -14.3839 21.4743 GPRESSAVG: 1050600 -38.2326 15.7596 10.8146 18.5977 25.293 -12.092 9.38027 -15.9049 22.5533 TIMING: 1050600 CPU: 3116.58, 0.00296239/step Wall: 3116.58, 0.00296239/step, 3.24991 hours remaining, 205.023438 MB of memory in use. ENERGY: 1050600 760.2295 2137.9592 1921.4222 115.3484 -206137.1629 17747.9151 0.0000 0.0000 33990.9315 -149463.3570 296.8513 -183454.2885 -149366.5137 298.0342 46.2670 82.2739 556469.2935 3.1864 3.2046 PRESSURE: 1050800 77.0765 -98.2756 133.159 -98.2773 -72.7778 -58.9887 133.159 -58.9902 -76.7473 GPRESSURE: 1050800 94.377 -101.388 108.079 -83.8482 -51.8127 -0.527131 58.461 26.6195 -7.00969 PRESSAVG: 1050800 -95.5522 -56.5194 35.0706 -56.5194 4.06135 -45.1307 35.0707 -45.1306 83.1779 GPRESSAVG: 1050800 -95.338 -55.2974 34.7179 -55.6243 4.23974 -47.1629 36.0558 -44.5481 83.7817 TIMING: 1050800 CPU: 3117.18, 0.00298156/step Wall: 3117.18, 0.00298156/step, 3.27077 hours remaining, 205.023438 MB of memory in use. ENERGY: 1050800 754.3881 2128.0661 1923.9297 106.0199 -206674.2554 17917.1836 0.0000 0.0000 34323.1210 -149521.5471 299.7524 -183844.6681 -149424.1838 298.9846 -24.1495 11.8515 556278.0338 -2.7710 -2.4389 PRESSURE: 1051000 81.9311 -116.652 -27.6568 -116.653 -79.6054 -29.5391 -27.6571 -29.5401 91.0823 GPRESSURE: 1051000 99.4106 -15.9514 10.85 -150.493 -26.2347 -14.1191 -38.7797 42.4715 124.826 PRESSAVG: 1051000 -52.5383 -24.2615 39.8907 -24.2614 -30.8267 -14.7671 39.8908 -14.7671 98.9552 GPRESSAVG: 1051000 -50.8991 -23.307 40.4747 -25.6021 -30.946 -13.9527 39.7864 -14.7886 97.1134 TIMING: 1051000 CPU: 3117.77, 0.00297559/step Wall: 3117.77, 0.00297559/step, 3.26405 hours remaining, 205.023438 MB of memory in use. ENERGY: 1051000 746.4385 2072.7435 1969.8846 117.6332 -206455.0041 17944.1234 0.0000 0.0000 34182.3652 -149421.8156 298.5231 -183604.1808 -149325.9262 298.7737 31.1360 66.0008 557283.1753 5.1967 5.0895 PRESSURE: 1051200 258.718 47.7844 61.3843 47.7835 7.0765 -31.0319 61.3836 -31.0326 252.683 GPRESSURE: 1051200 287.145 30.0471 96.9609 24.3411 7.6259 68.3145 -32.1156 -101.729 321.633 PRESSAVG: 1051200 -31.7753 -16.4894 40.5155 -16.4894 23.0147 -4.90469 40.5155 -4.90473 15.554 GPRESSAVG: 1051200 -31.7608 -18.9523 41.2529 -15.4031 23.1676 -3.5735 38.8112 -4.63347 15.1368 TIMING: 1051200 CPU: 3118.37, 0.0029855/step Wall: 3118.37, 0.0029855/step, 3.27476 hours remaining, 205.023438 MB of memory in use. ENERGY: 1051200 730.4497 2094.2853 1951.2984 119.7033 -206677.8006 18111.7612 0.0000 0.0000 34248.2015 -149422.1011 299.0981 -183670.3026 -149330.0438 298.7955 172.8259 205.4680 556633.0892 2.2645 2.1812 PRESSURE: 1051400 -88.8915 -89.5965 91.7668 -89.5964 -253.625 -40.87 91.7671 -40.8681 -347.521 GPRESSURE: 1051400 -80.4897 -25.4654 107.951 -109.234 -162.983 -71.2685 111.989 10.8432 -336.21 PRESSAVG: 1051400 -58.6999 -6.23907 42.6602 -6.23908 27.0719 51.1625 42.6603 51.1625 0.410621 GPRESSAVG: 1051400 -60.1831 -6.04997 42.8348 -4.71727 28.1254 50.0486 45.3694 51.0515 0.669733 TIMING: 1051400 CPU: 3118.96, 0.00295746/step Wall: 3118.96, 0.00295746/step, 3.24384 hours remaining, 205.023438 MB of memory in use. ENERGY: 1051400 763.1831 2062.3677 1921.5802 107.9855 -206080.0200 17660.3265 0.0000 0.0000 34097.0885 -149467.4884 297.7784 -183564.5769 -149365.0967 298.7323 -230.0124 -193.2275 557822.5109 -10.4058 -10.4627 PRESSURE: 1051600 19.1696 15.747 -22.5607 15.747 359.818 -170.299 -22.5613 -170.3 10.3013 GPRESSURE: 1051600 47.2579 5.91757 -29.5916 -5.70845 398.801 -143.406 -56.0911 -206.925 36.6523 PRESSAVG: 1051600 -12.5905 -39.7163 81.3406 -39.7163 41.8672 5.16684 81.3406 5.16684 -34.6858 GPRESSAVG: 1051600 -11.7823 -37.8274 79.7091 -42.0249 40.334 4.77333 80.0671 5.19044 -34.5972 TIMING: 1051600 CPU: 3119.56, 0.00296832/step Wall: 3119.56, 0.00296832/step, 3.25559 hours remaining, 205.023438 MB of memory in use. ENERGY: 1051600 724.7554 2016.6754 1966.1938 122.8389 -206542.8869 17936.3458 0.0000 0.0000 34269.1693 -149506.9084 299.2812 -183776.0777 -149420.8151 298.6473 129.7630 160.9037 556543.9372 -1.8030 -2.0152 PRESSURE: 1051800 -98.927 -45.2956 35.687 -45.2945 -223.927 -65.2549 35.6874 -65.2567 -253.895 GPRESSURE: 1051800 -61.5729 1.30112 94.7883 -28.4273 -213.379 -167.091 43.1011 -34.4936 -192.811 PRESSAVG: 1051800 4.77487 -22.9615 46.8793 -22.9614 34.9011 18.9818 46.8792 18.9819 3.76523 GPRESSAVG: 1051800 5.2029 -24.7536 48.5935 -21.3787 34.8671 20.1433 46.6404 18.1129 3.55211 TIMING: 1051800 CPU: 3120.15, 0.00295807/step Wall: 3120.15, 0.00295807/step, 3.24418 hours remaining, 205.023438 MB of memory in use. ENERGY: 1051800 754.7760 2105.6067 1954.9885 108.1603 -206263.2869 17694.6274 0.0000 0.0000 34155.5310 -149489.5969 298.2887 -183645.1280 -149395.7852 298.9381 -192.2497 -155.9211 557677.9629 14.4804 14.5407 PRESSURE: 1052000 -37.2049 -92.4644 24.5649 -92.4634 38.0647 23.8257 24.5644 23.8258 265.365 GPRESSURE: 1052000 -28.1223 18.5604 55.0653 -186.745 62.7302 -13.7565 24.0984 -1.13031 310.532 PRESSAVG: 1052000 -28.2864 -4.3447 28.0726 -4.34469 7.72836 -2.92868 28.0727 -2.92865 7.69636 GPRESSAVG: 1052000 -28.2464 -1.72107 27.5173 -6.28406 7.38032 -5.25885 28.2072 -1.25521 8.02101 TIMING: 1052000 CPU: 3120.74, 0.00295406/step Wall: 3120.74, 0.00295406/step, 3.23962 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: 1052000 726.9455 2141.0597 1923.2792 114.3821 -206636.1124 17969.1498 0.0000 0.0000 34187.2408 -149574.0552 298.5657 -183761.2961 -149480.7631 298.5870 88.7415 115.0466 556335.6137 -4.2872 -4.2817 PRESSURE: 1052200 -24.61 112.646 65.3611 112.645 -186.493 25.2448 65.3607 25.2441 14.2634 GPRESSURE: 1052200 53.4667 39.6962 -66.6164 62.5068 -93.31 66.0242 124.484 47.8962 -75.0562 PRESSAVG: 1052200 5.02228 -18.7227 10.223 -18.7227 -24.7731 36.6239 10.223 36.624 7.53598 GPRESSAVG: 1052200 3.92814 -20.2961 10.2589 -16.8109 -23.8261 38.3611 9.45629 37.0014 7.76579 TIMING: 1052200 CPU: 3121.33, 0.00294884/step Wall: 3121.33, 0.00294884/step, 3.23373 hours remaining, 205.023438 MB of memory in use. ENERGY: 1052200 731.5233 2137.9797 1949.0757 106.5414 -206441.9556 17811.4358 0.0000 0.0000 34195.3191 -149510.0807 298.6362 -183705.3998 -149418.8488 298.0888 -65.6133 -38.2999 556741.4913 -4.0716 -4.0441 LDB: ============= START OF LOAD BALANCING ============== 3124.76 LDB: ============== END OF LOAD BALANCING =============== 3124.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3124.76 LDB: ============= START OF LOAD BALANCING ============== 3125.05 LDB: Largest compute 4848 load 0.029049 is 24.6% of average load 0.118000 LDB: Average compute 0.001730 is 1.5% of average load 0.118000 LDB: TIME 3125.06 LOAD: AVG 0.118 MAX 0.196428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.828 MB LDB: TIME 3125.06 LOAD: AVG 0.118 MAX 0.196428 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.836 MB LDB: TIME 3125.06 LOAD: AVG 0.118 MAX 0.196428 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.836 MB LDB: ============== END OF LOAD BALANCING =============== 3125.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3125.06 PRESSURE: 1052400 -71.6947 -8.16166 -125.418 -8.16267 -55.3789 -25.7491 -125.418 -25.7502 -137.236 GPRESSURE: 1052400 -48.0201 64.255 -133.216 64.006 -36.1938 -46.5646 -93.0456 12.645 -89.3713 PRESSAVG: 1052400 -40.9557 -44.1681 31.0125 -44.1681 -51.4395 36.3444 31.0124 36.3444 29.4422 GPRESSAVG: 1052400 -42.1024 -44.4785 32.1641 -43.768 -50.4253 38.8916 30.5913 35.303 29.4897 TIMING: 1052400 CPU: 3121.93, 0.00303003/step Wall: 3121.93, 0.00303003/step, 3.3226 hours remaining, 206.707031 MB of memory in use. ENERGY: 1052400 767.8044 2107.4831 1957.6962 121.6321 -206110.7843 17611.8951 0.0000 0.0000 34062.4868 -149481.7866 297.4762 -183544.2734 -149385.1794 298.2883 -88.1031 -57.8617 557464.0223 -20.9843 -21.0127 PRESSURE: 1052600 -207.56 -222.338 -53.2623 -222.339 -50.0109 51.552 -53.2616 51.553 16.803 GPRESSURE: 1052600 -173.458 -252.508 55.0429 -169.937 -43.0588 45.483 -121.273 104.355 63.1675 PRESSAVG: 1052600 -35.3209 -26.0173 -9.01661 -26.0174 15.2779 6.26742 -9.01662 6.26736 -2.71179 GPRESSAVG: 1052600 -33.4966 -25.5326 -9.45198 -26.5647 14.6813 3.77561 -9.62161 5.83178 -3.09516 TIMING: 1052600 CPU: 3122.53, 0.00297647/step Wall: 3122.53, 0.00297647/step, 3.2637 hours remaining, 206.707031 MB of memory in use. ENERGY: 1052600 746.9827 2091.2781 1929.5893 113.8466 -206083.2007 17709.7199 0.0000 0.0000 34172.3205 -149319.4635 298.4354 -183491.7840 -149224.0656 299.0660 -80.2561 -51.1163 558569.9178 -7.5849 -7.3035 PRESSURE: 1052800 -384.238 -230.803 73.9375 -230.803 -430.343 102.326 73.9376 102.328 -101.499 GPRESSURE: 1052800 -342.297 -277.867 9.24199 -199.181 -362.884 122.677 79.6939 79.5436 -108.198 PRESSAVG: 1052800 19.2838 -22.0965 39.2271 -22.0966 -12.0326 44.4524 39.227 44.4523 -3.86835 GPRESSAVG: 1052800 18.1039 -22.5079 39.1798 -22.026 -12.0675 44.9349 39.5532 44.8858 -2.66965 TIMING: 1052800 CPU: 3123.12, 0.00296965/step Wall: 3123.12, 0.00296965/step, 3.25605 hours remaining, 206.707031 MB of memory in use. ENERGY: 1052800 779.7629 2152.3665 1924.7044 119.5435 -205869.1709 17514.3287 0.0000 0.0000 34028.8854 -149349.5795 297.1827 -183378.4650 -149247.3381 299.4233 -305.3598 -271.1266 557517.5188 1.1276 1.1223 PRESSURE: 1053000 -234.66 58.5185 -125.124 58.5189 -325.805 131.6 -125.123 131.599 -243.978 GPRESSURE: 1053000 -160.705 19.4004 -72.5846 50.4787 -338.468 156.019 -65.2784 153.85 -201.413 PRESSAVG: 1053000 72.297 -11.0766 26.1768 -11.0765 -19.9285 -12.9622 26.1769 -12.9624 -11.3874 GPRESSAVG: 1053000 72.4555 -10.5309 25.674 -11.1962 -19.9139 -13.936 29.3811 -12.4844 -11.4977 TIMING: 1053000 CPU: 3123.71, 0.0029584/step Wall: 3123.71, 0.0029584/step, 3.24356 hours remaining, 206.707031 MB of memory in use. ENERGY: 1053000 734.2170 2151.1659 1959.0637 130.7450 -205785.0683 17446.4533 0.0000 0.0000 34191.9130 -149171.5105 298.6065 -183363.4235 -149079.1085 299.0208 -268.1477 -233.5285 559231.5227 13.6604 13.6813 PRESSURE: 1053200 -5.13442 178.265 143.643 178.264 173.65 -202.643 143.644 -202.643 205.125 GPRESSURE: 1053200 -9.22193 147.129 75.4657 205.017 263.443 -196.919 214.489 -213.85 212.192 PRESSAVG: 1053200 48.2288 29.2569 28.3529 29.2569 -75.905 61.8157 28.3529 61.8157 1.75752 GPRESSAVG: 1053200 48.397 27.6835 27.4418 29.3961 -75.2504 62.3346 26.2344 60.6594 1.53979 TIMING: 1053200 CPU: 3124.31, 0.00295082/step Wall: 3124.31, 0.00295082/step, 3.23508 hours remaining, 206.707031 MB of memory in use. ENERGY: 1053200 763.2145 2128.9647 1953.6843 105.9451 -206305.6901 17918.3702 0.0000 0.0000 34327.1606 -149108.3507 299.7876 -183435.5113 -149008.9430 300.0984 124.5470 155.4709 556968.7407 -8.6395 -8.4379 PRESSURE: 1053400 -23.7005 -41.1201 -22.2868 -41.1197 -83.8355 13.7156 -22.2865 13.7161 -125.732 GPRESSURE: 1053400 -15.2005 -42.5814 -4.36053 -36.5715 6.26361 -11.1807 31.5196 -33.1252 -131.042 PRESSAVG: 1053400 -26.0156 -5.10731 13.0867 -5.1072 -10.8754 48.2314 13.0867 48.2314 45.2949 GPRESSAVG: 1053400 -26.2239 -3.59845 14.8332 -7.46826 -10.7858 49.1017 13.0998 49.5693 45.638 TIMING: 1053400 CPU: 3124.9, 0.00298171/step Wall: 3124.9, 0.00298171/step, 3.26879 hours remaining, 206.707031 MB of memory in use. ENERGY: 1053400 759.6919 2097.1743 1925.0175 107.8385 -206111.3830 17589.9550 0.0000 0.0000 34369.2864 -149262.4195 300.1555 -183631.7059 -149163.8376 299.8126 -77.7560 -46.6596 556945.7781 2.8013 2.8761 PRESSURE: 1053600 -179.52 8.58521 -21.073 8.58527 108.658 25.4553 -21.073 25.4544 -32.5463 GPRESSURE: 1053600 -159.514 17.1914 -3.41332 71.751 155.925 -25.9361 -0.876563 55.6744 -12.0316 PRESSAVG: 1053600 56.3286 -10.127 -17.8133 -10.127 -19.3682 49.2383 -17.8132 49.2383 -11.5669 GPRESSAVG: 1053600 56.3075 -10.3212 -19.1164 -6.09078 -18.9849 48.1681 -18.9936 49.5012 -12.3037 TIMING: 1053600 CPU: 3125.49, 0.00296302/step Wall: 3125.49, 0.00296302/step, 3.24813 hours remaining, 206.707031 MB of memory in use. ENERGY: 1053600 752.6970 2053.8219 1939.9695 112.2170 -206231.8624 17831.5084 0.0000 0.0000 34260.8290 -149280.8196 299.2083 -183541.6486 -149185.7410 298.7932 -34.4693 -5.2067 556469.7439 8.4645 8.3396 PRESSURE: 1053800 -293.205 116.672 59.8188 116.672 -465.742 41.3624 59.8179 41.3626 -175.497 GPRESSURE: 1053800 -237.781 92.7717 203.856 107.898 -397.109 104.418 -37.3102 7.9349 -196.13 PRESSAVG: 1053800 -61.8277 -0.774736 -15.9832 -0.774681 27.1658 -27.7937 -15.983 -27.7938 39.7738 GPRESSAVG: 1053800 -61.1988 -1.81456 -15.9671 -1.99279 27.4563 -28.8578 -16.0848 -26.9562 38.7465 TIMING: 1053800 CPU: 3126.08, 0.00294187/step Wall: 3126.08, 0.00294187/step, 3.22478 hours remaining, 206.707031 MB of memory in use. ENERGY: 1053800 731.9927 2059.9782 1914.4613 115.6901 -205852.1883 17451.3744 0.0000 0.0000 34228.2893 -149350.4023 298.9242 -183578.6916 -149254.5228 298.9295 -311.4810 -277.0067 558124.9444 1.7040 1.6680 PRESSURE: 1054000 10.1891 75.7737 -11.6846 75.7728 107.209 -84.6834 -11.6846 -84.6836 -172.21 GPRESSURE: 1054000 76.505 20.9568 -28.8775 67.853 121.922 -97.721 -0.273964 -23.1349 -162.792 PRESSAVG: 1054000 15.4363 55.1374 9.07657 55.1374 43.1901 14.4457 9.07655 14.4458 -39.308 GPRESSAVG: 1054000 14.3443 54.5571 8.16459 54.1256 42.0003 15.5312 8.00791 14.5487 -37.1424 TIMING: 1054000 CPU: 3126.67, 0.00294417/step Wall: 3126.67, 0.00294417/step, 3.22714 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: 1054000 774.2039 2038.6066 1957.3328 114.6817 -206154.7257 17814.9843 0.0000 0.0000 34116.1270 -149338.7895 297.9446 -183454.9165 -149245.7098 298.6195 -18.2709 11.8783 556111.3260 6.4395 6.4007 PRESSURE: 1054200 -168.372 -12.822 27.0354 -12.8225 -20.7087 -36.7696 27.0358 -36.7702 -252.635 GPRESSURE: 1054200 -93.2796 -38.0216 -75.4557 30.4093 -19.9806 -48.0002 52.3524 30.4635 -232.702 PRESSAVG: 1054200 12.5788 -9.57429 -21.0843 -9.57431 19.136 -2.46967 -21.0843 -2.46955 -20.3108 GPRESSAVG: 1054200 13.0069 -8.7002 -20.3543 -8.86301 19.6298 -1.95441 -18.2698 -2.41655 -21.2505 TIMING: 1054200 CPU: 3127.27, 0.00298772/step Wall: 3127.27, 0.00298772/step, 3.27471 hours remaining, 206.707031 MB of memory in use. ENERGY: 1054200 761.2360 2028.3451 1906.8097 102.7707 -206040.2005 17594.4902 0.0000 0.0000 34217.5911 -149428.9577 298.8307 -183646.5488 -149329.7858 298.4648 -147.2385 -115.3208 556525.4283 3.8013 3.7954 PRESSURE: 1054400 212.447 -192.342 -216.401 -192.34 210.228 -143.338 -216.401 -143.338 -3.16189 GPRESSURE: 1054400 273.713 -134.651 -226.531 -155.414 228.865 -181.735 -206.311 -116.77 17.503 PRESSAVG: 1054400 -19.7698 -57.2058 -64.5111 -57.2057 60.4145 25.7409 -64.5111 25.7408 -32.0946 GPRESSAVG: 1054400 -18.4322 -56.1641 -64.2603 -58.0196 59.0768 24.1294 -65.1621 25.3789 -32.6413 TIMING: 1054400 CPU: 3127.86, 0.00297215/step Wall: 3127.86, 0.00297215/step, 3.25747 hours remaining, 206.707031 MB of memory in use. ENERGY: 1054400 727.1824 2098.8929 1920.4120 109.7941 -206649.6928 18122.7779 0.0000 0.0000 34242.8815 -149427.7519 299.0516 -183670.6334 -149339.0225 298.3437 139.8375 173.3606 557360.9070 2.8500 2.6678 PRESSURE: 1054600 2.28454 -24.9312 96.5162 -24.9317 224.809 1.76556 96.5157 1.7645 388.493 GPRESSURE: 1054600 8.29809 -7.40058 59.0207 -126.232 255.199 104.004 152.799 -7.36568 447.959 PRESSAVG: 1054600 20.8329 -5.69698 -57.5619 -5.69687 -3.6862 -31.7864 -57.5619 -31.7864 -32.0792 GPRESSAVG: 1054600 19.5066 -5.74367 -57.2253 -5.55202 -3.36776 -29.2115 -59.9756 -32.9734 -30.8755 TIMING: 1054600 CPU: 3128.46, 0.00297403/step Wall: 3128.46, 0.00297403/step, 3.25937 hours remaining, 206.707031 MB of memory in use. ENERGY: 1054600 737.3602 2078.3392 1944.1533 115.2841 -206690.1872 18149.6735 0.0000 0.0000 34189.2635 -149476.1133 298.5833 -183665.3768 -149378.5725 298.1538 205.1954 237.1520 558506.8602 -4.9775 -4.9122 PRESSURE: 1054800 5.59728 168.775 29.4932 168.774 -112.257 -35.7628 29.4933 -35.7641 321.185 GPRESSURE: 1054800 32.5769 205.333 102.52 233.571 -24.5173 -47.7429 -47.2263 12.2432 298.332 PRESSAVG: 1054800 -33.7835 -3.22154 -9.45852 -3.22164 -8.70116 -13.9537 -9.45846 -13.9535 66.3824 GPRESSAVG: 1054800 -33.1238 -3.70051 -8.01399 -4.04452 -8.87991 -15.1368 -8.02067 -14.21 65.8978 TIMING: 1054800 CPU: 3129.06, 0.0029921/step Wall: 3129.06, 0.0029921/step, 3.27901 hours remaining, 206.707031 MB of memory in use. ENERGY: 1054800 728.2634 2079.8767 1917.8800 115.5516 -206329.4324 18010.2963 0.0000 0.0000 34182.6233 -149294.9412 298.5254 -183477.5645 -149198.8069 298.5236 71.5085 102.1304 556959.8921 7.9659 7.9647 PRESSURE: 1055000 60.2975 120.741 53.7929 120.742 -149.558 25.4419 53.7941 25.4447 -96.7999 GPRESSURE: 1055000 60.1145 101.771 115.344 132.831 -122.089 -36.3437 70.549 59.6649 -29.2703 PRESSAVG: 1055000 4.05689 35.5911 1.17055 35.5912 -8.44264 -46.4554 1.17053 -46.4553 34.3474 GPRESSAVG: 1055000 4.23819 35.6301 -1.10826 35.9783 -8.58783 -47.3428 3.44748 -45.1132 34.5075 TIMING: 1055000 CPU: 3129.66, 0.00299388/step Wall: 3129.66, 0.00299388/step, 3.28079 hours remaining, 206.707031 MB of memory in use. ENERGY: 1055000 758.3273 2079.0581 1906.4936 109.3748 -206198.2711 17744.3042 0.0000 0.0000 34188.4617 -149412.2515 298.5763 -183600.7132 -149312.6442 298.4179 -62.0200 -30.4149 557234.2928 9.9872 10.0526 PRESSURE: 1055200 36.4589 -5.04474 19.6637 -5.04464 -167.155 7.67584 19.6626 7.67506 -313.99 GPRESSURE: 1055200 37.4606 7.79167 17.9601 -20.7892 -98.9315 63.891 89.3053 -18.6599 -285.919 PRESSAVG: 1055200 -41.7942 -24.6407 -8.53641 -24.6406 33.8851 19.8572 -8.53637 19.8573 24.4703 GPRESSAVG: 1055200 -41.248 -23.6565 -7.80203 -23.4269 33.2142 20.3433 -11.2277 19.5632 24.5475 TIMING: 1055200 CPU: 3130.25, 0.0029704/step Wall: 3130.25, 0.0029704/step, 3.2549 hours remaining, 206.707031 MB of memory in use. ENERGY: 1055200 755.9376 2075.4057 1954.0288 113.1044 -206518.6182 17788.2060 0.0000 0.0000 34344.0976 -149487.8382 299.9355 -183831.9358 -149390.6847 298.2764 -148.2284 -115.7966 557274.5128 5.5204 5.5046 PRESSURE: 1055400 403.172 -80.6586 -88.5764 -80.6577 8.3376 86.1111 -88.5776 86.1114 196.64 GPRESSURE: 1055400 460.461 -58.5284 -83.1228 37.8455 47.1651 7.90806 -65.552 130.519 200.384 PRESSAVG: 1055400 16.9835 17.1844 4.66138 17.1844 9.88225 -54.6939 4.66145 -54.6938 -62.8177 GPRESSAVG: 1055400 16.1842 15.8206 3.99899 18.3858 11.036 -55.0098 6.60622 -54.9541 -63.1029 TIMING: 1055400 CPU: 3130.84, 0.00297055/step Wall: 3130.84, 0.00297055/step, 3.2549 hours remaining, 206.707031 MB of memory in use. ENERGY: 1055400 688.1854 2107.3941 1916.7057 99.3212 -206245.1086 17822.9636 0.0000 0.0000 34153.5877 -149456.9509 298.2718 -183610.5386 -149360.6455 298.1510 202.7165 236.0032 555582.5609 -11.9840 -11.9609 PRESSURE: 1055600 52.0628 -95.5359 121.657 -95.5364 -129.724 150.271 121.657 150.271 -145.602 GPRESSURE: 1055600 44.7925 -24.1142 198.992 -157.155 -62.3299 89.4206 85.1464 120.404 -112.765 PRESSAVG: 1055600 12.2535 22.0325 0.33564 22.0324 -10.4895 8.94606 0.335729 8.94595 -3.50276 GPRESSAVG: 1055600 12.061 23.4782 2.29531 19.3506 -10.1723 9.16409 -2.39851 8.12138 -3.26715 TIMING: 1055600 CPU: 3131.43, 0.00294806/step Wall: 3131.43, 0.00294806/step, 3.23009 hours remaining, 206.707031 MB of memory in use. ENERGY: 1055600 742.2538 2085.4117 1914.7625 108.2424 -206321.9432 17955.0763 0.0000 0.0000 34237.6758 -149278.5207 299.0061 -183516.1965 -149188.9843 298.7717 -74.4210 -43.4341 557934.4082 -0.5796 -0.4595 PRESSURE: 1055800 312.962 215.139 78.8598 215.138 -83.3124 -118.503 78.8593 -118.503 79.8686 GPRESSURE: 1055800 354.681 189.926 145.71 277.197 -68.2353 -72.6126 -11.7248 -137.413 116.597 PRESSAVG: 1055800 77.7466 51.7378 24.1519 51.7377 -65.0144 12.3362 24.1518 12.3363 7.20928 GPRESSAVG: 1055800 77.6648 50.6951 23.8835 52.3736 -64.7875 12.2306 23.0245 12.8029 6.91814 TIMING: 1055800 CPU: 3132.03, 0.0029827/step Wall: 3132.03, 0.0029827/step, 3.26788 hours remaining, 206.707031 MB of memory in use. ENERGY: 1055800 697.4040 2089.9911 1939.2652 99.2741 -206288.0670 17980.6184 0.0000 0.0000 34206.0889 -149275.4252 298.7303 -183481.5142 -149190.8266 299.1201 103.1729 134.3474 558462.9990 6.6472 6.5985 PRESSURE: 1056000 -35.6844 -61.6513 30.7717 -61.6518 7.31759 -103.758 30.7712 -103.757 -314.754 GPRESSURE: 1056000 -41.6485 -100.329 121.613 -24.5132 46.4837 -108.093 14.1899 -66.1178 -259.467 PRESSAVG: 1056000 -3.29996 57.6524 28.9048 57.6525 41.3799 -3.27936 28.9049 -3.27925 -19.6949 GPRESSAVG: 1056000 -3.16455 58.1073 27.5015 56.3935 40.6296 -2.90127 31.1002 -4.6134 -19.7065 TIMING: 1056000 CPU: 3132.63, 0.0030156/step Wall: 3132.63, 0.0030156/step, 3.30375 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: 1056000 752.5220 2068.1637 1926.4047 103.6718 -206280.8994 17783.0896 0.0000 0.0000 34299.3410 -149347.7065 299.5447 -183647.0476 -149250.0468 299.1108 -114.3735 -84.8773 558134.8934 6.1284 5.9195 PRESSURE: 1056200 -342.662 -91.7652 -164.518 -91.7663 -244.304 165.709 -164.519 165.71 -77.9423 GPRESSURE: 1056200 -305.91 -57.1237 -117.55 -170.77 -160.299 112.81 -95.1221 258.203 -89.7483 PRESSAVG: 1056200 8.0349 39.774 16.8391 39.7739 20.5701 -9.87106 16.8391 -9.87113 -33.2789 GPRESSAVG: 1056200 7.57133 39.257 17.3638 40.2185 21.9311 -10.3501 18.0317 -9.92224 -34.0479 TIMING: 1056200 CPU: 3133.23, 0.00297975/step Wall: 3133.23, 0.00297975/step, 3.26432 hours remaining, 206.707031 MB of memory in use. ENERGY: 1056200 742.1149 2077.8450 1945.2447 113.2317 -205706.6792 17505.9018 0.0000 0.0000 34010.7252 -149311.6159 297.0241 -183322.3411 -149206.5222 298.2013 -221.6359 -185.3188 558685.3051 -1.5580 -1.5152 LDB: ============= START OF LOAD BALANCING ============== 3136.66 LDB: ============== END OF LOAD BALANCING =============== 3136.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3136.66 LDB: ============= START OF LOAD BALANCING ============== 3136.96 LDB: Largest compute 4848 load 0.029398 is 24.9% of average load 0.117898 LDB: Average compute 0.001732 is 1.5% of average load 0.117898 LDB: TIME 3136.97 LOAD: AVG 0.117898 MAX 0.196596 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.992 MB LDB: TIME 3136.97 LOAD: AVG 0.117898 MAX 0.196596 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: TIME 3136.97 LOAD: AVG 0.117898 MAX 0.196596 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3136.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3136.97 PRESSURE: 1056400 -58.9568 -74.8241 -1.02084 -74.824 97.8614 -11.8315 -1.02097 -11.8319 90.3597 GPRESSURE: 1056400 -18.0055 -117.839 55.434 -20.2477 163.783 26.5752 -87.7838 -10.6094 89.5894 PRESSAVG: 1056400 -22.4128 -63.9125 25.8991 -63.9125 9.22909 3.08734 25.8992 3.0873 27.7835 GPRESSAVG: 1056400 -22.6206 -65.0989 25.0827 -62.2957 8.09725 3.1342 24.2099 3.55507 29.1968 TIMING: 1056400 CPU: 3133.84, 0.00306584/step Wall: 3133.84, 0.00306584/step, 3.35846 hours remaining, 205.734375 MB of memory in use. ENERGY: 1056400 678.6869 2097.7974 1913.7863 111.3574 -206189.0730 17644.3297 0.0000 0.0000 34324.2228 -149418.8925 299.7620 -183743.1153 -149322.2887 298.3386 43.0881 78.4555 556793.4633 4.8666 4.8912 PRESSURE: 1056600 -94.8926 8.29937 -47.5268 8.29884 -117.367 -43.8088 -47.5273 -43.8072 -205.185 GPRESSURE: 1056600 -87.2803 62.6272 -82.87 115.132 -90.1303 -52.7186 -0.226932 0.441126 -139.483 PRESSAVG: 1056600 -11.2564 10.4529 -9.3444 10.4529 66.7436 -5.30803 -9.34441 -5.30802 -63.4169 GPRESSAVG: 1056600 -11.3437 11.7919 -10.5655 8.9335 66.8105 -4.7871 -7.1298 -5.50584 -63.503 TIMING: 1056600 CPU: 3134.44, 0.00298235/step Wall: 3134.44, 0.00298235/step, 3.26683 hours remaining, 205.937500 MB of memory in use. ENERGY: 1056600 766.1637 2120.9745 1914.2012 97.6624 -206080.8136 17598.8000 0.0000 0.0000 34037.9644 -149545.0474 297.2620 -183583.0117 -149447.9075 298.4953 -139.1481 -105.6313 557639.0445 -2.6432 -2.6787 PRESSURE: 1056800 -87.2196 49.5312 66.5952 49.5325 76.8725 -86.5007 66.5938 -86.5022 31.0971 GPRESSURE: 1056800 -26.0722 -77.1778 79.3261 80.1144 88.1465 -103.832 112.569 -94.1233 58.0329 PRESSAVG: 1056800 -23.5779 68.4362 7.49715 68.4362 42.1118 5.00354 7.49714 5.0037 -3.90196 GPRESSAVG: 1056800 -23.5707 69.1868 7.61315 70.764 42.3801 4.59165 6.52033 5.47914 -4.4962 TIMING: 1056800 CPU: 3135.04, 0.00298983/step Wall: 3135.04, 0.00298983/step, 3.27486 hours remaining, 205.937500 MB of memory in use. ENERGY: 1056800 695.0519 2104.2167 1938.8158 106.8012 -206602.1299 18058.7144 0.0000 0.0000 34177.2911 -149521.2387 298.4788 -183698.5299 -149423.0800 298.6472 6.9167 40.0357 557358.7432 4.8773 4.7711 PRESSURE: 1057000 -94.8156 121.033 130.071 121.034 23.4691 135.679 130.071 135.679 -131.828 GPRESSURE: 1057000 -79.7245 200.552 68.8091 126.181 116.908 91.2782 216.61 145.5 -139.4 PRESSAVG: 1057000 21.5774 93.2781 37.939 93.2782 29.1539 39.6676 37.9391 39.6675 -26.2778 GPRESSAVG: 1057000 22.5094 92.027 38.3583 91.8072 28.7333 39.2243 37.0239 38.2572 -27.472 TIMING: 1057000 CPU: 3135.63, 0.00298952/step Wall: 3135.63, 0.00298952/step, 3.27435 hours remaining, 205.937500 MB of memory in use. ENERGY: 1057000 743.4385 2163.2296 1916.7825 109.0989 -206493.4125 17823.9427 0.0000 0.0000 34354.9143 -149382.0061 300.0300 -183736.9204 -149285.7261 298.8278 -67.7248 -34.0723 555662.5319 8.1512 7.9235 PRESSURE: 1057200 -166.909 100.865 131.524 100.866 -256.126 -40.6356 131.525 -40.6359 -312.139 GPRESSURE: 1057200 -166.309 25.4745 107.103 133.751 -217.846 -20.1808 108.024 18.8433 -254.2 PRESSAVG: 1057200 40.5643 34.1607 1.86801 34.1606 -27.5744 40.1217 1.86808 40.1218 16.7033 GPRESSAVG: 1057200 40.5623 33.2406 2.73535 33.0035 -28.6893 41.6398 3.29331 42.9578 18.0996 TIMING: 1057200 CPU: 3136.24, 0.00301275/step Wall: 3136.24, 0.00301275/step, 3.29963 hours remaining, 205.937500 MB of memory in use. ENERGY: 1057200 747.7485 2148.9822 1972.7171 117.7936 -205927.7814 17395.5325 0.0000 0.0000 34121.0260 -149423.9815 297.9874 -183545.0075 -149321.0711 299.1263 -245.0578 -212.7850 556186.5529 9.8977 9.9909 PRESSURE: 1057400 -133.365 -86.827 22.6955 -86.8257 0.485007 -19.4294 22.6961 -19.4312 -82.4835 GPRESSURE: 1057400 -110.002 -123.126 50.7902 -25.5805 61.7802 51.6666 -54.5513 -54.2774 -71.1801 PRESSAVG: 1057400 4.35863 56.9787 1.94407 56.9788 -4.08501 31.9382 1.94406 31.9382 7.45451 GPRESSAVG: 1057400 3.97137 57.8787 0.474898 58.2525 -3.36671 30.147 1.98689 32.4117 6.62753 TIMING: 1057400 CPU: 3136.84, 0.00300318/step Wall: 3136.84, 0.00300318/step, 3.28899 hours remaining, 205.937500 MB of memory in use. ENERGY: 1057400 776.7126 2120.1408 1948.1156 118.8994 -206343.3813 17726.4060 0.0000 0.0000 34267.0002 -149386.1068 299.2622 -183653.1069 -149296.1769 298.8702 -71.7879 -39.8006 555885.1770 2.5760 2.4107 PRESSURE: 1057600 -115.242 -52.9799 -74.8689 -52.9813 -271.929 32.9655 -74.8683 32.9641 -37.1199 GPRESSURE: 1057600 -55.0378 23.131 -108.756 -55.6081 -258.347 61.7337 25.2712 -40.413 -17.9483 PRESSAVG: 1057600 28.4925 -4.41677 1.29806 -4.41696 -36.333 1.08439 1.298 1.08431 -26.8619 GPRESSAVG: 1057600 28.0888 -3.61162 2.15944 -6.20238 -35.9269 0.252595 1.7626 -0.288715 -27.3002 TIMING: 1057600 CPU: 3137.43, 0.0029771/step Wall: 3137.43, 0.0029771/step, 3.26026 hours remaining, 205.937500 MB of memory in use. ENERGY: 1057600 782.2803 2107.0476 1951.1217 115.8963 -206172.7620 17608.6527 0.0000 0.0000 34057.4375 -149550.3260 297.4321 -183607.7634 -149452.3756 298.4172 -141.4303 -110.4444 557282.5825 -11.5674 -11.7128 PRESSURE: 1057800 118.297 36.2993 53.2637 36.2995 -63.2048 -197.311 53.2638 -197.312 191.499 GPRESSURE: 1057800 94.8723 22.2594 16.0793 74.9382 -5.18885 -219.845 -1.77852 -140.073 255.676 PRESSAVG: 1057800 1.04729 -3.06807 15.518 -3.06803 -44.9241 -26.4217 15.5181 -26.4217 57.8615 GPRESSAVG: 1057800 0.369986 -5.81998 12.394 -0.883156 -44.733 -25.4853 16.2093 -25.2798 58.1269 TIMING: 1057800 CPU: 3138.03, 0.00298396/step Wall: 3138.03, 0.00298396/step, 3.2676 hours remaining, 205.937500 MB of memory in use. ENERGY: 1057800 787.6164 2125.2796 1939.5237 125.5672 -206672.6668 18081.4660 0.0000 0.0000 34001.1040 -149612.1099 296.9401 -183613.2139 -149522.2994 298.1144 82.1973 115.1199 556736.1922 4.6616 4.5879 PRESSURE: 1058000 -85.3116 39.8282 -114.414 39.8286 -76.6052 -145.377 -114.414 -145.378 -166.221 GPRESSURE: 1058000 -39.5382 2.48497 -189.925 46.081 -25.9014 -191.295 2.17194 -116.926 -162.765 PRESSAVG: 1058000 58.8927 12.8871 9.01138 12.8872 4.63928 -33.5712 9.01132 -33.5712 -79.5507 GPRESSAVG: 1058000 58.109 16.4572 10.8794 11.591 4.62719 -35.7936 8.34323 -33.2952 -79.1711 TIMING: 1058000 CPU: 3138.63, 0.00298581/step Wall: 3138.63, 0.00298581/step, 3.26947 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: 1058000 730.1106 2131.5723 1958.2711 114.2372 -206495.2897 17763.9548 0.0000 0.0000 34091.3354 -149705.8084 297.7281 -183797.1439 -149610.6917 297.1888 -109.3792 -76.0682 557947.5382 -5.3396 -5.4783 PRESSURE: 1058200 95.3173 -69.8049 89.0611 -69.8062 156.341 -72.1078 89.0591 -72.1084 6.2556 GPRESSURE: 1058200 152.51 -26.3189 53.7153 -42.0928 162.483 -40.7432 72.0523 -32.8213 33.5083 PRESSAVG: 1058200 34.8083 -34.9035 27.02 -34.9035 -9.75719 -49.6507 27.0199 -49.6508 -46.744 GPRESSAVG: 1058200 36.0197 -37.0735 25.9148 -33.0851 -10.0312 -46.2219 27.6181 -52.0215 -47.2931 TIMING: 1058200 CPU: 3139.22, 0.00295775/step Wall: 3139.22, 0.00295775/step, 3.23857 hours remaining, 205.937500 MB of memory in use. ENERGY: 1058200 787.9048 2132.3818 1964.6601 110.8908 -206936.1270 18195.8555 0.0000 0.0000 34177.4045 -149567.0294 298.4798 -183744.4339 -149471.2691 298.4332 85.9713 116.1671 556902.8475 -7.2310 -7.1015 PRESSURE: 1058400 -88.5916 50.2041 -55.0013 50.2039 114.559 -33.5402 -55.002 -33.5389 131.987 GPRESSURE: 1058400 -116.603 10.2006 56.4475 21.3415 171.266 -78.9957 -90.5612 22.8736 211.011 PRESSAVG: 1058400 13.1894 9.75709 28.9943 9.75711 -18.2265 -1.5161 28.9943 -1.51608 49.2338 GPRESSAVG: 1058400 11.0803 9.83757 30.6242 8.82478 -16.766 -3.68555 27.6883 -0.332145 49.478 TIMING: 1058400 CPU: 3139.81, 0.0029757/step Wall: 3139.81, 0.0029757/step, 3.25806 hours remaining, 205.937500 MB of memory in use. ENERGY: 1058400 746.9761 2042.3628 1957.7507 117.6597 -206370.3405 17849.1357 0.0000 0.0000 34064.6902 -149591.7653 297.4954 -183656.4556 -149492.5125 298.4900 52.6515 88.5580 557801.9400 14.7322 14.5974 PRESSURE: 1058600 -127.338 30.807 -33.5095 30.8077 -263.251 -38.4688 -33.5113 -38.4674 -128.053 GPRESSURE: 1058600 -74.3943 -55.8659 -18.0686 2.29567 -218.18 -4.72935 -53.8654 -55.0669 -116.794 PRESSAVG: 1058600 -43.3131 -18.1098 -28.786 -18.1098 5.54289 -44.5197 -28.786 -44.5196 29.6658 GPRESSAVG: 1058600 -42.509 -18.7361 -29.2483 -18.0803 5.28575 -46.9537 -28.1527 -45.2431 29.7175 TIMING: 1058600 CPU: 3140.41, 0.00296245/step Wall: 3140.41, 0.00296245/step, 3.24339 hours remaining, 205.937500 MB of memory in use. ENERGY: 1058600 751.0920 2071.5050 1959.0200 116.0007 -206375.9928 17665.3630 0.0000 0.0000 34403.1098 -149409.9023 300.4509 -183813.0121 -149311.0563 298.6477 -172.8805 -136.4561 559109.4877 -2.7015 -2.5019 PRESSURE: 1058800 -3.32131 82.0599 -64.0855 82.0594 -111.769 -105.809 -64.0843 -105.809 -19.552 GPRESSURE: 1058800 10.7741 57.967 -42.076 121.259 -43.8573 -87.0301 -208.405 -153.467 -10.9068 PRESSAVG: 1058800 -33.2348 24.1538 -56.996 24.1538 27.6252 -19.5063 -56.9961 -19.5062 0.719374 GPRESSAVG: 1058800 -31.637 25.2938 -57.8824 24.2938 26.2301 -15.7626 -55.6368 -19.7195 0.621067 TIMING: 1058800 CPU: 3141, 0.00295468/step Wall: 3141, 0.00295468/step, 3.23472 hours remaining, 205.937500 MB of memory in use. ENERGY: 1058800 787.1976 2122.2252 1930.4840 109.7185 -206032.0573 17740.4155 0.0000 0.0000 33902.4242 -149439.5923 296.0783 -183342.0164 -149349.9129 298.2743 -44.8806 -14.6633 558930.0761 -1.6301 -1.5953 PRESSURE: 1059000 -248.324 22.4177 75.6494 22.4169 -214.684 -61.5263 75.6489 -61.5266 56.8024 GPRESSURE: 1059000 -198.554 46.6869 82.4368 69.4478 -203.812 -130.843 65.2128 -81.5552 85.8245 PRESSAVG: 1059000 26.4077 37.0704 -11.9126 37.0704 -48.9977 -3.50357 -11.9125 -3.50361 -14.208 GPRESSAVG: 1059000 26.6998 36.3968 -10.7555 37.1583 -49.8841 -2.07076 -16.042 -4.61779 -14.4156 TIMING: 1059000 CPU: 3141.59, 0.00294288/step Wall: 3141.59, 0.00294288/step, 3.22163 hours remaining, 205.937500 MB of memory in use. ENERGY: 1059000 787.0856 2103.7242 1911.2613 116.5979 -206308.8367 17833.6872 0.0000 0.0000 34066.0878 -149490.3927 297.5076 -183556.4805 -149394.5575 298.2102 -135.4018 -105.5138 559682.9835 -12.2660 -12.5333 PRESSURE: 1059200 55.0204 -83.1199 -143.869 -83.1179 -147.394 -5.98832 -143.868 -5.98854 -41.3022 GPRESSURE: 1059200 58.3913 3.71511 -96.88 -24.5544 -23.2334 -71.4995 -201.779 7.95329 -66.8868 PRESSAVG: 1059200 13.1643 61.3058 -73.5651 61.3059 -28.4104 -18.769 -73.5652 -18.769 -11.0382 GPRESSAVG: 1059200 12.2507 61.5851 -73.4863 60.8902 -27.6449 -20.1343 -70.5338 -18.2643 -10.7344 TIMING: 1059200 CPU: 3142.18, 0.00299359/step Wall: 3142.18, 0.00299359/step, 3.27698 hours remaining, 205.937500 MB of memory in use. ENERGY: 1059200 762.3769 2121.6903 1944.5970 105.3775 -206350.4179 17927.0568 0.0000 0.0000 34200.1678 -149289.1516 298.6786 -183489.3194 -149193.3007 297.8441 -44.5585 -10.5763 559929.4320 -8.7614 -8.7095 PRESSURE: 1059400 223.375 -50.4557 -116.275 -50.4567 1.03957 66.4142 -116.275 66.4141 404.829 GPRESSURE: 1059400 299.653 -2.16259 -110.916 -92.4749 -23.6523 22.0543 -47.9378 4.98708 445.453 PRESSAVG: 1059400 -42.5712 17.4352 -53.3688 17.4353 16.2169 11.9239 -53.3688 11.9238 10.0946 GPRESSAVG: 1059400 -42.2696 16.9088 -52.7335 16.7897 16.5371 10.3219 -54.5173 12.5475 10.2615 TIMING: 1059400 CPU: 3142.78, 0.00299168/step Wall: 3142.78, 0.00299168/step, 3.27472 hours remaining, 205.937500 MB of memory in use. ENERGY: 1059400 703.0940 2055.7684 1956.6576 107.7794 -206826.5574 18325.5559 0.0000 0.0000 34022.9772 -149654.7249 297.1311 -183677.7021 -149550.9469 297.7794 209.7478 240.4846 558425.7069 -5.4199 -5.1570 PRESSURE: 1059600 -75.387 -59.357 -34.5873 -59.3561 227.582 154.811 -34.5885 154.811 306.936 GPRESSURE: 1059600 -28.3995 -126.43 -43.684 5.55199 267.106 196.067 85.4762 156.41 317.233 PRESSAVG: 1059600 11.7082 -2.31308 -67.1852 -2.31314 -22.5831 57.3976 -67.1852 57.3976 2.99863 GPRESSAVG: 1059600 11.5951 -3.13537 -67.8306 -1.55427 -22.4858 58.3976 -64.8697 56.5981 2.5979 TIMING: 1059600 CPU: 3143.38, 0.00297888/step Wall: 3143.38, 0.00297888/step, 3.26056 hours remaining, 205.937500 MB of memory in use. ENERGY: 1059600 727.4925 2112.5501 1920.5365 116.1600 -206815.7480 18051.6612 0.0000 0.0000 33980.8098 -149906.5379 296.7629 -183887.3477 -149815.8230 296.9786 153.0438 185.3129 556137.6558 -2.6254 -2.7643 PRESSURE: 1059800 -53.5797 7.62958 -42.5646 7.62898 295.304 -161.331 -42.5642 -161.329 -21.9902 GPRESSURE: 1059800 2.95669 18.1373 -27.8132 -27.3508 298.696 -263.175 -17.0371 -108.172 13.7105 PRESSAVG: 1059800 -32.4662 -4.83501 -54.2559 -4.83504 51.1167 5.95175 -54.2559 5.95184 -30.275 GPRESSAVG: 1059800 -32.398 -3.02498 -54.3437 -4.10117 51.0971 6.07591 -57.5111 6.43805 -30.5998 TIMING: 1059800 CPU: 3143.97, 0.00296249/step Wall: 3143.97, 0.00296249/step, 3.24244 hours remaining, 205.937500 MB of memory in use. ENERGY: 1059800 718.3688 2109.2559 1967.5809 110.9043 -206857.5292 18126.5178 0.0000 0.0000 34033.8010 -149791.1006 297.2256 -183824.9016 -149695.8987 297.0364 73.2447 105.1209 557439.8888 -3.8748 -3.9669 PRESSURE: 1060000 96.4058 0.908049 -26.9919 0.908322 7.07892 -133.746 -26.9925 -133.745 -192.329 GPRESSURE: 1060000 76.142 41.18 102.56 2.05907 30.9442 -57.9744 -0.820651 -162.733 -111.735 PRESSAVG: 1060000 8.21402 -32.7853 -3.42632 -32.7853 13.7209 -14.2651 -3.42629 -14.2653 -34.3058 GPRESSAVG: 1060000 6.99344 -31.6205 -3.15698 -34.565 14.2413 -14.0316 -2.92954 -15.6154 -33.7135 TIMING: 1060000 CPU: 3144.57, 0.00298091/step Wall: 3144.57, 0.00298091/step, 3.26244 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: 1060000 721.1400 2102.0922 1904.7716 103.5798 -206632.9555 17933.2580 0.0000 0.0000 34232.7109 -149635.4030 298.9628 -183868.1139 -149532.2018 297.4071 -29.6149 -1.5497 557560.0947 -4.1236 -4.1596 PRESSURE: 1060200 -148.273 38.1173 -11.6868 38.1178 -141.205 41.2413 -11.6874 41.24 -126.646 GPRESSURE: 1060200 -104.711 -28.386 57.6938 70.4997 -99.1151 89.198 41.2007 19.7945 -120.183 PRESSAVG: 1060200 -73.1584 22.1946 -16.8885 22.1946 32.218 57.1678 -16.8885 57.1679 45.7346 GPRESSAVG: 1060200 -70.5496 20.6332 -17.3434 23.4713 29.9626 58.3104 -16.0915 58.5921 45.5793 TIMING: 1060200 CPU: 3145.16, 0.00297003/step Wall: 3145.16, 0.00297003/step, 3.25037 hours remaining, 205.937500 MB of memory in use. ENERGY: 1060200 745.9887 2139.8273 1915.3670 105.8196 -206311.8887 17776.1961 0.0000 0.0000 33894.8877 -149733.8023 296.0125 -183628.6899 -149638.5787 297.8591 -138.7080 -108.0030 557625.0550 1.5981 1.6641 LDB: ============= START OF LOAD BALANCING ============== 3148.59 LDB: ============== END OF LOAD BALANCING =============== 3148.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3148.59 LDB: ============= START OF LOAD BALANCING ============== 3148.88 LDB: Largest compute 4847 load 0.029790 is 25.3% of average load 0.117885 LDB: Average compute 0.001733 is 1.5% of average load 0.117885 LDB: TIME 3148.89 LOAD: AVG 0.117885 MAX 0.19494 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.156 MB LDB: TIME 3148.89 LOAD: AVG 0.117885 MAX 0.19494 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.16 MB LDB: TIME 3148.89 LOAD: AVG 0.117885 MAX 0.19494 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.16 MB LDB: ============== END OF LOAD BALANCING =============== 3148.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3148.89 PRESSURE: 1060400 -234.023 -136.288 -110.415 -136.288 44.9623 18.9125 -110.413 18.9138 -34.8792 GPRESSURE: 1060400 -207.226 -191.009 -138.931 -64.8077 60.7311 -67.9707 -105.384 -60.3995 13.3059 PRESSAVG: 1060400 1.98798 8.11222 -79.6822 8.11216 -31.8717 -1.68362 -79.6822 -1.68372 29.4411 GPRESSAVG: 1060400 1.61979 8.51941 -79.1827 10.1598 -30.4245 -2.5784 -81.3263 -3.58388 28.5662 TIMING: 1060400 CPU: 3145.76, 0.00300977/step Wall: 3145.76, 0.00300977/step, 3.29369 hours remaining, 206.050781 MB of memory in use. ENERGY: 1060400 768.7865 2057.8944 1918.2071 103.0072 -206402.9976 17843.2636 0.0000 0.0000 34139.1432 -149572.6955 298.1456 -183711.8388 -149479.9419 297.5756 -74.6468 -44.3962 556938.9545 -0.1476 -0.0795 PRESSURE: 1060600 -30.6556 60.7668 54.2451 60.7681 14.7087 -179.2 54.2452 -179.202 -25.0647 GPRESSURE: 1060600 19.8947 -78.4757 114.588 131.605 6.81894 -131.348 16.4782 -199.466 25.6655 PRESSAVG: 1060600 -13.3338 5.62436 -1.26839 5.62439 -44.1806 -66.3298 -1.2683 -66.3298 46.1812 GPRESSAVG: 1060600 -14.0484 3.38404 -1.48453 4.27393 -43.9655 -66.2548 0.860847 -65.5635 47.1668 TIMING: 1060600 CPU: 3146.36, 0.00297724/step Wall: 3146.36, 0.00297724/step, 3.25793 hours remaining, 206.250000 MB of memory in use. ENERGY: 1060600 736.9764 2137.5008 1909.8448 118.7583 -206713.8109 18004.2108 0.0000 0.0000 34229.0023 -149577.5175 298.9304 -183806.5198 -149481.6638 298.0503 -13.6705 17.4597 558232.2206 -3.7777 -3.6157 PRESSURE: 1060800 88.5518 157.753 -9.68859 157.752 34.095 51.9848 -9.6888 51.9839 -96.1414 GPRESSURE: 1060800 126.953 185.43 33.9047 230.423 48.7072 73.398 -108.929 -1.18812 -56.9474 PRESSAVG: 1060800 -14.651 26.5815 -3.49177 26.5815 -7.88557 -25.745 -3.49178 -25.7451 66.0947 GPRESSAVG: 1060800 -14.4919 26.569 -3.16289 26.8159 -7.96213 -26.4278 -3.87424 -26.2301 65.221 TIMING: 1060800 CPU: 3146.95, 0.00297199/step Wall: 3146.95, 0.00297199/step, 3.25201 hours remaining, 206.250000 MB of memory in use. ENERGY: 1060800 783.0786 2058.7690 1938.4374 107.4033 -206430.1158 17938.6926 0.0000 0.0000 34118.3815 -149485.3533 297.9643 -183603.7349 -149391.3663 298.1868 8.8351 39.5708 556350.4104 14.5194 14.2557 PRESSURE: 1061000 -149.128 106.234 -98.2697 106.235 69.6851 32.9775 -98.2684 32.9762 -89.206 GPRESSURE: 1061000 -132.152 74.1674 -80.7099 47.8242 122.411 109.406 -70.3915 67.7923 -51.509 PRESSAVG: 1061000 -8.7936 -2.89424 43.3422 -2.89422 -36.6467 -3.36288 43.3422 -3.36287 55.7969 GPRESSAVG: 1061000 -9.66404 -2.45958 43.9948 -3.84745 -36.5329 0.569392 42.1494 -3.3925 56.394 TIMING: 1061000 CPU: 3147.55, 0.00296323/step Wall: 3147.55, 0.00296323/step, 3.24227 hours remaining, 206.250000 MB of memory in use. ENERGY: 1061000 764.4203 2136.2742 1938.8202 111.7316 -206380.9669 17902.6522 0.0000 0.0000 34138.8659 -149388.2025 298.1432 -183527.0684 -149292.5588 298.3932 -56.2161 -20.4166 558957.9548 3.4522 3.3990 PRESSURE: 1061200 -127.977 -4.06757 27.1542 -4.06638 -102.586 -138.064 27.1534 -138.063 -66.5055 GPRESSURE: 1061200 -58.0171 -20.8604 95.5576 -33.199 -65.6182 -123.588 91.5995 -185.972 -69.9012 PRESSAVG: 1061200 -81.8675 77.3377 -19.8143 77.3377 -0.69394 -0.516404 -19.8143 -0.516342 21.2336 GPRESSAVG: 1061200 -80.8893 77.8566 -21.1966 77.4923 -1.09173 -3.06356 -18.7801 -1.11245 20.9079 TIMING: 1061200 CPU: 3148.14, 0.00296274/step Wall: 3148.14, 0.00296274/step, 3.24157 hours remaining, 206.250000 MB of memory in use. ENERGY: 1061200 774.8372 2106.8635 1962.3945 100.2114 -206259.6439 17724.4609 0.0000 0.0000 34235.9725 -149354.9039 298.9913 -183590.8763 -149261.4685 299.2337 -99.0229 -64.5122 557994.6018 -20.4426 -20.3577 PRESSURE: 1061400 121.815 94.8554 -73.5577 94.8554 -44.8654 -88.1314 -73.5586 -88.131 193.341 GPRESSURE: 1061400 161.963 -2.50937 -42.2335 144.018 -3.73277 -7.18696 -49.456 -98.1649 198.661 PRESSAVG: 1061400 -13.0012 21.0512 -41.9207 21.0512 -53.9424 9.28788 -41.9208 9.28795 58.3961 GPRESSAVG: 1061400 -13.8786 22.0066 -39.9374 22.1598 -53.4837 8.51378 -41.4014 11.1169 59.2898 TIMING: 1061400 CPU: 3148.74, 0.00298879/step Wall: 3148.74, 0.00298879/step, 3.26991 hours remaining, 206.250000 MB of memory in use. ENERGY: 1061400 744.9948 2081.0921 1969.5998 118.3738 -206309.9443 18002.8805 0.0000 0.0000 34122.3408 -149270.6626 297.9989 -183393.0034 -149176.3479 298.6044 90.0968 118.9638 557185.4422 -2.8492 -2.6908 PRESSURE: 1061600 48.9424 7.954 7.99491 7.95478 0.0865083 -44.9642 7.99533 -44.9649 195.293 GPRESSURE: 1061600 132.1 22.8839 38.4271 8.89178 -7.77917 -54.4442 16.0437 -51.1389 215.971 PRESSAVG: 1061600 -8.75417 11.245 -5.3786 11.245 -44.5167 -70.4696 -5.37865 -70.4697 66.2068 GPRESSAVG: 1061600 -7.43233 10.935 -6.60809 11.8161 -44.9861 -69.279 -5.72472 -72.6402 65.0847 TIMING: 1061600 CPU: 3149.33, 0.00299491/step Wall: 3149.33, 0.00299491/step, 3.27643 hours remaining, 206.250000 MB of memory in use. ENERGY: 1061600 728.1707 2087.7295 1932.5111 121.4262 -206380.9284 17971.3453 0.0000 0.0000 34316.5115 -149223.2340 299.6946 -183539.7455 -149130.8967 299.3772 81.4407 113.4306 557459.3283 4.3120 4.2221 PRESSURE: 1061800 -51.2335 95.5092 -5.32361 95.5099 94.3438 -97.6522 -5.3236 -97.6521 27.8871 GPRESSURE: 1061800 -39.591 110.918 -42.4648 38.9145 113.357 -78.2483 43.259 -85.8324 97.5008 PRESSAVG: 1061800 18.1423 -12.3931 -68.4941 -12.393 -33.2142 4.68237 -68.4941 4.68236 12.973 GPRESSAVG: 1061800 16.9066 -11.491 -68.849 -14.2624 -33.6623 1.72844 -67.2152 7.15385 14.1301 TIMING: 1061800 CPU: 3149.94, 0.00303036/step Wall: 3149.94, 0.00303036/step, 3.31504 hours remaining, 206.250000 MB of memory in use. ENERGY: 1061800 726.2669 2100.2532 1934.3484 109.6854 -206387.5814 17925.1512 0.0000 0.0000 34374.6100 -149217.2663 300.2020 -183591.8763 -149123.0299 299.8085 23.6658 57.0890 557321.9646 -0.6996 -0.8752 PRESSURE: 1062000 -100.945 31.6643 -101.658 31.6653 -192.1 77.7247 -101.657 77.7256 -342.804 GPRESSURE: 1062000 -127.345 92.8306 -100.052 -30.5088 -158.228 29.7883 -83.6478 84.571 -259.907 PRESSAVG: 1062000 76.6076 -4.38614 -39.5751 -4.38607 -26.2442 -32.3477 -39.5751 -32.3478 -28.5415 GPRESSAVG: 1062000 76.237 -5.68723 -38.7611 -3.20891 -26.3728 -29.4884 -40.3734 -34.4023 -28.4851 TIMING: 1062000 CPU: 3150.54, 0.00299328/step Wall: 3150.54, 0.00299328/step, 3.27432 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: 1062000 763.2644 2058.8341 1949.5740 121.9501 -206171.5887 17673.8835 0.0000 0.0000 34193.7732 -149410.3094 298.6227 -183604.0826 -149313.8900 299.3859 -211.9496 -181.8267 557399.2532 7.2740 7.1264 PRESSURE: 1062200 346.549 73.1909 -117.7 73.1894 364.637 -101.156 -117.699 -101.154 66.0746 GPRESSURE: 1062200 395.066 46.4457 -72.6663 119.487 348.74 -68.0896 -146.107 -89.404 134.377 PRESSAVG: 1062200 13.0903 -12.9703 -52.2497 -12.9704 -23.2538 48.3198 -52.2496 48.3198 11.5888 GPRESSAVG: 1062200 13.2109 -11.8669 -51.4842 -14.857 -22.1305 48.7828 -53.3183 48.6 10.553 TIMING: 1062200 CPU: 3151.13, 0.00297321/step Wall: 3151.13, 0.00297321/step, 3.25219 hours remaining, 206.250000 MB of memory in use. ENERGY: 1062200 762.5881 2045.1440 1948.0192 95.7411 -206741.0576 18329.6019 0.0000 0.0000 34068.4361 -149491.5271 297.5281 -183559.9632 -149392.1490 298.6591 259.0870 292.7278 556788.3748 0.4751 0.5445 PRESSURE: 1062400 92.18 -67.1805 -53.5468 -67.182 -10.3474 -144.846 -53.5475 -144.845 -290.82 GPRESSURE: 1062400 110.051 -128.735 -33.9425 -67.1409 60.23 -1.74471 -82.245 -266.602 -279.983 PRESSAVG: 1062400 15.0294 -6.77693 -21.066 -6.77702 6.52146 -65.8794 -21.066 -65.8794 -54.5948 GPRESSAVG: 1062400 14.884 -7.54184 -22.1466 -5.89198 6.10479 -66.0546 -18.1335 -65.1821 -53.4087 TIMING: 1062400 CPU: 3151.73, 0.00297508/step Wall: 3151.73, 0.00297508/step, 3.25408 hours remaining, 206.250000 MB of memory in use. ENERGY: 1062400 752.5643 2087.1676 1934.3209 108.5492 -206462.7781 17877.8268 0.0000 0.0000 34347.4832 -149354.8660 299.9651 -183702.3493 -149251.2893 298.5111 -69.6624 -36.5674 556703.2496 -11.0146 -10.8066 PRESSURE: 1062600 -227.449 -76.1474 -51.6732 -76.1477 -286.563 -33.9325 -51.6727 -33.9312 -284.731 GPRESSURE: 1062600 -246.492 -11.3958 -13.0475 -91.3041 -152.213 -15.0948 -46.2822 -99.2562 -293.24 PRESSAVG: 1062600 -19.6221 -18.3723 -47.5358 -18.3723 -24.4234 -15.5302 -47.5357 -15.5302 47.6186 GPRESSAVG: 1062600 -19.2093 -18.7333 -46.941 -17.2751 -22.994 -15.3783 -51.8711 -15.472 46.2468 TIMING: 1062600 CPU: 3152.32, 0.00297074/step Wall: 3152.32, 0.00297074/step, 3.24916 hours remaining, 206.250000 MB of memory in use. ENERGY: 1062600 746.2320 2105.9974 1918.4721 94.4486 -206019.8511 17615.9221 0.0000 0.0000 34198.3713 -149340.4075 298.6629 -183538.7789 -149240.5987 298.2213 -266.2475 -230.6485 557834.1837 1.1910 1.3478 PRESSURE: 1062800 -76.2678 5.11539 97.4693 5.11495 -160.827 8.29149 97.4693 8.29408 -201.669 GPRESSURE: 1062800 -31.1293 70.5427 89.5754 -48.2716 -141.162 99.1973 171.086 -36.4915 -171.511 PRESSAVG: 1062800 -16.0769 -7.86384 -47.7209 -7.86391 -13.2869 78.7131 -47.7209 78.713 13.0554 GPRESSAVG: 1062800 -15.1898 -7.76387 -46.7335 -8.59837 -14.115 76.8308 -44.3586 79.6251 13.6963 TIMING: 1062800 CPU: 3152.92, 0.00297962/step Wall: 3152.92, 0.00297962/step, 3.25871 hours remaining, 206.250000 MB of memory in use. ENERGY: 1062800 807.4332 2073.7302 1974.3588 93.2342 -206080.8325 17658.2949 0.0000 0.0000 34096.2560 -149377.5252 297.7711 -183473.7812 -149282.7206 298.7121 -146.2545 -114.6007 556801.4831 -5.4361 -5.2028 PRESSURE: 1063000 29.8925 -13.8079 49.6237 -13.808 314.842 120.57 49.6234 120.57 266.913 GPRESSURE: 1063000 81.985 -44.0406 56.0568 -89.6382 330.028 206.91 136.735 78.8844 296.316 PRESSAVG: 1063000 -1.64918 -12.7852 26.169 -12.7852 15.0595 1.94235 26.169 1.94228 22.6555 GPRESSAVG: 1063000 -1.76102 -13.1681 25.5762 -12.5462 15.0327 3.16743 26.6032 2.829 23.2475 TIMING: 1063000 CPU: 3153.52, 0.00299244/step Wall: 3153.52, 0.00299244/step, 3.27257 hours remaining, 206.250000 MB of memory in use. ENERGY: 1063000 748.9740 2087.4612 1934.5732 107.5761 -206242.7982 17860.1642 0.0000 0.0000 34145.6750 -149358.3745 298.2027 -183504.0494 -149265.3973 298.6239 203.8825 236.1099 556545.5215 12.0219 12.1731 PRESSURE: 1063200 25.4977 32.648 83.5984 32.6477 333.791 -159.689 83.5993 -159.687 138.083 GPRESSURE: 1063200 131.001 54.7262 -0.681434 43.8447 329.57 -68.6104 18.6262 -217.757 133.571 PRESSAVG: 1063200 -13.7541 -17.1967 -1.40369 -17.1967 18.4511 6.73046 -1.40358 6.7304 -47.5995 GPRESSAVG: 1063200 -13.5278 -17.1694 -1.33891 -16.242 19.1294 6.62692 -3.38419 5.48067 -49.1389 TIMING: 1063200 CPU: 3154.12, 0.00300042/step Wall: 3154.12, 0.00300042/step, 3.28113 hours remaining, 206.250000 MB of memory in use. ENERGY: 1063200 738.5733 2141.2794 1917.4076 117.6050 -206537.4828 18162.0873 0.0000 0.0000 34146.0560 -149314.4741 298.2060 -183460.5301 -149223.1335 298.1783 165.7907 198.0472 557084.8198 -14.3008 -14.5125 PRESSURE: 1063400 -91.1962 121.421 -121.051 121.421 -88.5269 -80.7482 -121.052 -80.7462 -130.75 GPRESSURE: 1063400 -47.3699 57.6843 -116.689 217.262 -87.2828 -66.8332 -74.898 -60.9783 -71.4719 PRESSAVG: 1063400 28.0246 -16.1441 29.5824 -16.1442 3.92647 -75.8627 29.5824 -75.8626 -9.16625 GPRESSAVG: 1063400 26.8451 -16.3633 29.994 -16.0896 2.7986 -75.8854 29.3768 -76.329 -7.00981 TIMING: 1063400 CPU: 3154.72, 0.00301594/step Wall: 3154.72, 0.00301594/step, 3.29793 hours remaining, 206.250000 MB of memory in use. ENERGY: 1063400 732.9994 2099.0745 1944.5326 116.2008 -206108.2843 17728.5570 0.0000 0.0000 34279.9655 -149206.9544 299.3755 -183486.9199 -149105.3188 298.8570 -103.4911 -68.7082 557863.9014 7.5949 7.5446 PRESSURE: 1063600 207.829 -73.7088 -63.8172 -73.7075 118.576 -53.3515 -63.817 -53.352 -187.325 GPRESSURE: 1063600 223.769 -50.6438 -29.1929 -70.9024 151.079 -7.85544 -89.3444 -123.072 -135.463 PRESSAVG: 1063600 40.7217 -70.3021 -39.2346 -70.3021 9.00984 -53.5402 -39.2345 -53.5402 -26.6934 GPRESSAVG: 1063600 41.4017 -69.845 -40.0773 -70.1823 10.1889 -53.5894 -38.7943 -54.4485 -28.3487 TIMING: 1063600 CPU: 3155.33, 0.00303455/step Wall: 3155.33, 0.00303455/step, 3.31811 hours remaining, 206.250000 MB of memory in use. ENERGY: 1063600 747.7044 2041.8269 1936.4691 117.2899 -206249.7368 17830.2713 0.0000 0.0000 34394.2607 -149181.9146 300.3736 -183576.1753 -149078.5531 299.5458 46.3601 79.7953 558091.3047 7.6794 7.7473 PRESSURE: 1063800 140.901 -148.79 20.9539 -148.791 -72.1304 -17.6216 20.9529 -17.6211 -231.13 GPRESSURE: 1063800 182.279 -109.296 -57.3724 -176.271 4.22474 2.26616 63.6582 -78.3492 -241.751 PRESSAVG: 1063800 40.202 -28.8415 -59.554 -28.8414 30.9754 8.33284 -59.554 8.3329 -9.87961 GPRESSAVG: 1063800 40.536 -27.7653 -61.3609 -30.5512 30.0578 7.51631 -59.1666 9.7681 -9.52168 TIMING: 1063800 CPU: 3155.93, 0.00301468/step Wall: 3155.93, 0.00301468/step, 3.29622 hours remaining, 206.250000 MB of memory in use. ENERGY: 1063800 738.2730 2068.3842 1931.0988 103.1186 -205924.2573 17624.5555 0.0000 0.0000 34206.5278 -149252.2994 298.7341 -183458.8272 -149160.5649 298.7236 -54.1200 -18.4157 558943.4585 20.4326 20.3574 PRESSURE: 1064000 -55.8597 10.165 80.1075 10.1648 70.8482 89.1466 80.1061 89.1456 -35.8867 GPRESSURE: 1064000 27.3089 58.902 92.0117 -14.8898 114.448 81.2056 33.5405 63.3978 -85.6356 PRESSAVG: 1064000 -5.66093 -26.2125 -33.8237 -26.2125 13.8537 -26.5796 -33.8238 -26.5797 -46.8358 GPRESSAVG: 1064000 -4.96134 -25.7508 -35.7054 -26.3862 14.8661 -28.1107 -31.0795 -26.9216 -47.8768 TIMING: 1064000 CPU: 3156.53, 0.00299826/step Wall: 3156.53, 0.00299826/step, 3.2781 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: 1064000 761.3904 2086.5903 1945.0435 105.9131 -206016.9105 17816.3528 0.0000 0.0000 34068.1966 -149233.4238 297.5260 -183301.6204 -149140.1718 299.2150 -6.9661 18.7071 558859.6597 -12.8810 -12.6573 PRESSURE: 1064200 45.3682 -35.9171 46.546 -35.9168 56.5137 -22.15 46.5458 -22.1514 42.4773 GPRESSURE: 1064200 113.027 -57.0456 25.3917 9.57647 92.1985 -7.64947 -8.44365 1.62474 32.9398 PRESSAVG: 1064200 29.622 -14.4546 16.8165 -14.4546 -4.43738 41.0779 16.8166 41.0777 -33.091 GPRESSAVG: 1064200 29.9922 -15.8923 18.2633 -13.8942 -5.21417 42.0064 16.7036 41.3502 -32.4246 TIMING: 1064200 CPU: 3157.13, 0.00298168/step Wall: 3157.13, 0.00298168/step, 3.2598 hours remaining, 206.250000 MB of memory in use. ENERGY: 1064200 720.6712 2168.1710 1929.8585 127.2079 -206247.5649 17942.9107 0.0000 0.0000 34296.2467 -149062.4988 299.5177 -183358.7455 -148960.8588 299.1859 48.1197 79.3885 559154.2111 -2.6355 -2.5488 LDB: ============= START OF LOAD BALANCING ============== 3160.55 LDB: ============== END OF LOAD BALANCING =============== 3160.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3160.56 LDB: ============= START OF LOAD BALANCING ============== 3160.85 LDB: Largest compute 4847 load 0.030306 is 25.7% of average load 0.117948 LDB: Average compute 0.001735 is 1.5% of average load 0.117948 LDB: TIME 3160.86 LOAD: AVG 0.117948 MAX 0.197377 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.223 MB LDB: TIME 3160.86 LOAD: AVG 0.117948 MAX 0.197377 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.227 MB LDB: TIME 3160.86 LOAD: AVG 0.117948 MAX 0.197377 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3160.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3160.86 PRESSURE: 1064400 -171.312 107.385 168.509 107.385 -276.322 25.4658 168.508 25.4648 -282.201 GPRESSURE: 1064400 -108.293 104.024 165.706 186.978 -235.375 83.8211 192.105 -73.8801 -284.265 PRESSAVG: 1064400 59.0225 -12.2728 -13.9498 -12.2728 -59.8772 3.1171 -13.9499 3.11712 24.2134 GPRESSAVG: 1064400 58.129 -9.14177 -11.9558 -12.8935 -58.5778 4.21973 -17.5038 2.33638 22.7638 TIMING: 1064400 CPU: 3157.73, 0.00304103/step Wall: 3157.73, 0.00304103/step, 3.32452 hours remaining, 208.046875 MB of memory in use. ENERGY: 1064400 751.2182 2091.4207 1931.3588 111.8359 -205714.2427 17530.9842 0.0000 0.0000 34183.1254 -149114.2996 298.5297 -183297.4249 -149015.2847 299.8958 -243.2783 -209.3110 559279.4286 7.7862 7.4383 PRESSURE: 1064600 -49.0483 -80.9171 78.8316 -80.9165 -122.133 4.24419 78.8323 4.24475 -132.476 GPRESSURE: 1064600 -31.891 -158.33 29.948 28.1857 -55.3 46.5059 90.9663 -23.9407 -126.402 PRESSAVG: 1064600 4.43658 16.2458 -31.4405 16.2458 48.4305 1.78157 -31.4405 1.78165 -17.8385 GPRESSAVG: 1064600 4.13998 12.3845 -31.7543 17.9206 46.9841 3.81818 -30.944 1.62576 -16.5626 TIMING: 1064600 CPU: 3158.33, 0.00298686/step Wall: 3158.33, 0.00298686/step, 3.26514 hours remaining, 208.250000 MB of memory in use. ENERGY: 1064600 744.0187 2147.7116 1909.9947 123.6855 -205895.3911 17614.9183 0.0000 0.0000 34334.5908 -149020.4714 299.8525 -183355.0622 -148924.4322 299.6752 -101.2192 -71.1975 557835.9035 11.6762 11.5205 PRESSURE: 1064800 251.814 -9.04412 -34.2988 -9.04382 -247.53 38.5287 -34.2996 38.529 178.499 GPRESSURE: 1064800 304.585 -34.3673 33.8381 52.6839 -217.823 82.044 -81.2468 12.3655 187.846 PRESSAVG: 1064800 68.35 -31.6202 -19.8132 -31.6202 -94.5573 -6.416 -19.8131 -6.4159 -20.9664 GPRESSAVG: 1064800 68.4935 -29.6765 -18.1418 -32.0497 -94.7635 -8.43608 -20.3553 -5.82595 -21.1628 TIMING: 1064800 CPU: 3158.93, 0.00299017/step Wall: 3158.93, 0.00299017/step, 3.26859 hours remaining, 208.250000 MB of memory in use. ENERGY: 1064800 771.3978 2146.1632 1926.4994 102.6480 -206077.1950 17861.0738 0.0000 0.0000 34235.8247 -149033.5881 298.9900 -183269.4128 -148943.3449 300.3023 60.9279 91.5359 557160.7633 -15.7246 -15.8109 PRESSURE: 1065000 14.6945 24.2461 40.0823 24.247 -74.3841 11.7534 40.083 11.7556 -133.658 GPRESSURE: 1065000 17.7049 -61.5657 -9.45812 137.102 -13.45 -43.131 -71.0271 101.73 -95.546 PRESSAVG: 1065000 60.9515 -24.2467 -48.5161 -24.2467 -60.8294 34.5627 -48.5161 34.5627 14.3735 GPRESSAVG: 1065000 61.4636 -24.996 -48.1281 -25.3792 -60.3321 35.0003 -47.4549 34.7068 13.4262 TIMING: 1065000 CPU: 3159.53, 0.00300261/step Wall: 3159.53, 0.00300261/step, 3.28202 hours remaining, 208.250000 MB of memory in use. ENERGY: 1065000 718.7941 2132.9521 1932.4800 123.9765 -205952.0883 17695.7499 0.0000 0.0000 34353.3564 -148994.7792 300.0164 -183348.1356 -148899.6148 299.6368 -64.4492 -30.4304 557461.4719 4.8319 4.8525 PRESSURE: 1065200 104.481 102.032 -140.886 102.033 200.837 -48.7058 -140.888 -48.7066 101.855 GPRESSURE: 1065200 155.983 101.702 -158.782 130.556 216.521 -16.1835 -129.48 -83.2314 152.455 PRESSAVG: 1065200 -4.28234 -31.4102 -50.2788 -31.4103 12.4159 25.7944 -50.2789 25.7944 27.3572 GPRESSAVG: 1065200 -4.55594 -30.7186 -52.5018 -32.1073 12.4961 23.8278 -50.1187 25.0533 27.818 TIMING: 1065200 CPU: 3160.13, 0.0029719/step Wall: 3160.13, 0.0029719/step, 3.24828 hours remaining, 208.250000 MB of memory in use. ENERGY: 1065200 716.8888 2102.3840 1958.7380 102.2190 -206249.7721 18020.4187 0.0000 0.0000 34236.6406 -149112.4829 298.9971 -183349.1235 -149018.6468 299.8438 135.7245 174.9863 557916.4060 11.8303 11.9194 PRESSURE: 1065400 5.65149 -97.1429 -75.7394 -97.1437 121.839 -36.2539 -75.7406 -36.2536 206.729 GPRESSURE: 1065400 65.1368 -3.8567 -191.352 -118.225 133.332 32.3999 -40.9102 -123.712 232.761 PRESSAVG: 1065400 89.3489 -23.2171 -43.4705 -23.2171 -59.3266 -1.25324 -43.4705 -1.25322 -43.844 GPRESSAVG: 1065400 89.2783 -23.9286 -44.2757 -22.4773 -58.5997 -0.0719782 -43.7613 -2.02563 -44.5804 TIMING: 1065400 CPU: 3160.72, 0.00295745/step Wall: 3160.72, 0.00295745/step, 3.23233 hours remaining, 208.250000 MB of memory in use. ENERGY: 1065400 779.8248 2059.6683 1934.6440 107.4058 -206297.2899 18054.2500 0.0000 0.0000 34343.5196 -149017.9774 299.9305 -183361.4970 -148922.4968 299.5563 111.4066 143.7433 556986.7196 -4.6073 -4.6339 PRESSURE: 1065600 -248.564 49.5938 -147.013 49.5948 -87.1544 -188.214 -147.013 -188.213 52.746 GPRESSURE: 1065600 -190.876 66.5653 -76.8282 19.414 -73.1675 -167.693 -280.447 -231.2 84.0372 PRESSAVG: 1065600 93.1059 15.4309 -61.625 15.431 1.31758 -59.9147 -61.6251 -59.9147 -77.7692 GPRESSAVG: 1065600 92.5872 16.0789 -58.0967 15.0964 0.410356 -60.1406 -62.846 -58.903 -76.4645 TIMING: 1065600 CPU: 3161.31, 0.0029799/step Wall: 3161.31, 0.0029799/step, 3.2567 hours remaining, 208.250000 MB of memory in use. ENERGY: 1065600 738.3221 2126.7036 1920.7417 110.7471 -205979.2649 17698.1395 0.0000 0.0000 34357.3685 -149027.2425 300.0514 -183384.6110 -148931.6560 300.0716 -94.3242 -60.0021 557769.6040 5.5514 5.5110 PRESSURE: 1065800 -303.769 153.18 -60.1949 153.18 -79.4988 12.9243 -60.1947 12.9228 -269.97 GPRESSURE: 1065800 -268.318 220.848 -40.2062 96.8199 -57.9114 25.9157 -104.961 -23.924 -225.206 PRESSAVG: 1065800 21.8839 2.35576 -74.7789 2.35573 -18.5397 -22.958 -74.7789 -22.958 -27.7434 GPRESSAVG: 1065800 23.7168 2.89066 -76.2172 1.68088 -19.029 -23.8048 -74.5051 -21.9258 -28.6065 TIMING: 1065800 CPU: 3161.91, 0.00299258/step Wall: 3161.91, 0.00299258/step, 3.2704 hours remaining, 208.250000 MB of memory in use. ENERGY: 1065800 767.4356 2080.6829 1959.5121 100.9281 -205649.1485 17644.1103 0.0000 0.0000 34020.3206 -149076.1589 297.1079 -183096.4795 -148985.5426 299.5258 -217.7462 -183.8116 558696.9509 -8.1330 -7.9729 PRESSURE: 1066000 -21.1769 -104.94 -94.8221 -104.939 165.862 16.3553 -94.8219 16.3555 -149.584 GPRESSURE: 1066000 15.9361 -126.75 -113.393 -138.465 197.5 56.3608 37.6441 -11.8992 -128.12 PRESSAVG: 1066000 22.8164 -36.4809 4.52998 -36.4809 6.68722 19.8142 4.52991 19.8142 -33.9502 GPRESSAVG: 1066000 20.7154 -36.8318 4.91893 -36.3221 8.36473 22.2075 5.7877 17.6703 -33.7638 TIMING: 1066000 CPU: 3162.51, 0.00298113/step Wall: 3162.51, 0.00298113/step, 3.25772 hours remaining, 208.250000 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: 1066000 748.3024 2090.2771 1927.3557 104.9069 -205942.5434 17709.9867 0.0000 0.0000 34403.9796 -148957.7349 300.4585 -183361.7145 -148864.9180 300.0966 -1.6330 28.4387 556985.3590 -1.4822 -1.5612 PRESSURE: 1066200 171.18 -178.132 -25.6284 -178.132 -194.567 31.4193 -25.6294 31.4196 -16.0898 GPRESSURE: 1066200 150.719 -148.692 -36.3559 -105.192 -173.232 18.7389 29.7023 41.0993 81.471 PRESSAVG: 1066200 -52.5896 -14.5514 0.759582 -14.5514 50.1513 30.5573 0.75964 30.5573 29.9071 GPRESSAVG: 1066200 -52.7251 -13.8451 0.300114 -15.4533 50.5202 27.6963 0.178732 31.917 29.4419 TIMING: 1066200 CPU: 3163.1, 0.00297532/step Wall: 3163.1, 0.00297532/step, 3.25119 hours remaining, 208.250000 MB of memory in use. ENERGY: 1066200 792.3325 2090.4331 1932.1215 103.6619 -205876.5916 17506.9593 0.0000 0.0000 34417.3616 -149033.7216 300.5754 -183451.0833 -148939.9703 299.6828 -13.1592 19.6527 555620.3036 9.1563 9.0790 PRESSURE: 1066400 221.034 -65.1623 44.1178 -65.1621 452.203 -83.3363 44.1162 -83.3375 -71.5092 GPRESSURE: 1066400 209.17 -86.0266 31.0057 -51.6305 459.688 -77.8223 13.4611 -93.2035 36.7823 PRESSAVG: 1066400 -51.9803 -9.07088 35.7288 -9.07087 -0.463012 1.03433 35.7288 1.03416 59.2853 GPRESSAVG: 1066400 -51.1608 -10.4784 35.0615 -7.99585 -1.97493 0.708179 35.8373 1.8248 60.0924 TIMING: 1066400 CPU: 3163.69, 0.00295344/step Wall: 3163.69, 0.00295344/step, 3.22713 hours remaining, 208.250000 MB of memory in use. ENERGY: 1066400 751.1373 2120.0746 1943.0669 109.7111 -206510.0458 18158.2331 0.0000 0.0000 34325.5229 -149102.3000 299.7733 -183427.8228 -149009.8785 299.7878 200.5759 235.2136 556303.4482 2.2807 2.3189 PRESSURE: 1066600 -22.5916 105.189 98.8013 105.19 485.173 -30.5715 98.801 -30.5717 -49.0372 GPRESSURE: 1066600 62.1899 188.783 148.171 108.896 469.894 22.2465 99.4182 -52.5825 -18.7325 PRESSAVG: 1066600 20.8606 -5.53406 62.4346 -5.53407 42.0809 -7.31036 62.4347 -7.31059 -43.6893 GPRESSAVG: 1066600 21.7824 -6.71178 62.0748 -5.31352 42.594 -5.85426 61.2884 -8.43936 -45.194 TIMING: 1066600 CPU: 3164.29, 0.00297673/step Wall: 3164.29, 0.00297673/step, 3.25241 hours remaining, 208.250000 MB of memory in use. ENERGY: 1066600 747.8143 2161.3724 1945.3176 112.9008 -206224.3872 17794.6996 0.0000 0.0000 34318.2378 -149144.0448 299.7097 -183462.2826 -149049.9637 299.5259 137.8482 171.1171 555345.6833 6.4174 6.3942 PRESSURE: 1066800 -283.392 -239.665 -51.7202 -239.665 -43.2458 -4.96806 -51.7191 -4.96724 -82.0942 GPRESSURE: 1066800 -239.469 -310.739 -26.8216 -244.757 -7.61576 -15.7618 -64.5869 0.863263 -53.209 PRESSAVG: 1066800 4.39486 -17.0892 -31.9114 -17.0891 30.1711 33.5916 -31.9114 33.5917 -49.4669 GPRESSAVG: 1066800 3.51226 -16.6189 -30.846 -17.101 28.7222 33.3004 -30.9387 33.9818 -47.342 TIMING: 1066800 CPU: 3164.89, 0.00299242/step Wall: 3164.89, 0.00299242/step, 3.26939 hours remaining, 208.250000 MB of memory in use. ENERGY: 1066800 726.9582 2060.4172 1944.3745 110.9548 -205973.0098 17627.9458 0.0000 0.0000 34249.5752 -149252.7842 299.1101 -183502.3594 -149153.8787 299.6252 -136.2441 -100.0978 557498.7025 -4.9670 -5.0359 PRESSURE: 1067000 48.2868 -162.747 -23.6595 -162.747 -11.6182 -37.0732 -23.6607 -37.0725 -137.146 GPRESSURE: 1067000 66.0268 -141.182 -58.3672 -131.891 0.891152 -27.7744 -34.5739 11.026 -78.0049 PRESSAVG: 1067000 0.923402 21.3063 22.9341 21.3063 65.3169 17.5704 22.9342 17.5704 -43.7543 GPRESSAVG: 1067000 1.09736 21.2369 23.6608 22.1135 66.276 16.9556 23.9061 17.7532 -45.4353 TIMING: 1067000 CPU: 3165.49, 0.00300214/step Wall: 3165.49, 0.00300214/step, 3.27984 hours remaining, 208.250000 MB of memory in use. ENERGY: 1067000 762.7512 2066.9160 1956.9395 102.0836 -206094.2206 17787.0798 0.0000 0.0000 34159.0450 -149259.4055 298.3194 -183418.4505 -149164.4141 299.3322 -33.4923 -3.6956 557871.2796 7.4954 7.3127 PRESSURE: 1067200 -289.321 155.314 -131.719 155.314 -123.785 94.3169 -131.72 94.3169 -170.069 GPRESSURE: 1067200 -258.962 120.249 -119.503 208.473 -98.9858 144.755 -176.336 153.992 -127.88 PRESSAVG: 1067200 34.1647 1.74626 -5.45405 1.74638 17.2319 38.1866 -5.45401 38.1867 1.55706 GPRESSAVG: 1067200 33.2341 0.789633 -7.04403 0.499362 18.1644 39.5276 -7.31832 36.9486 1.14388 TIMING: 1067200 CPU: 3166.08, 0.00297442/step Wall: 3166.08, 0.00297442/step, 3.24939 hours remaining, 208.250000 MB of memory in use. ENERGY: 1067200 765.7526 2089.1043 1932.3695 107.6044 -205970.3043 17619.1098 0.0000 0.0000 34181.4632 -149274.9005 298.5152 -183456.3637 -149184.5667 299.0223 -194.3920 -161.9428 557962.0012 17.6512 17.5141 PRESSURE: 1067400 -170.292 -57.3697 51.2744 -57.3701 -82.5234 83.1319 51.276 83.1325 -149.616 GPRESSURE: 1067400 -96.8558 -52.5181 8.11369 -59.4776 -92.9843 149.212 109.505 -2.6367 -117.316 PRESSAVG: 1067400 -27.6782 22.0711 23.8269 22.0711 -2.09471 35.2308 23.8269 35.2308 14.8494 GPRESSAVG: 1067400 -27.467 21.6917 23.0951 21.8044 -3.47258 34.3815 24.9579 35.3469 16.781 TIMING: 1067400 CPU: 3166.68, 0.00298343/step Wall: 3166.68, 0.00298343/step, 3.25907 hours remaining, 208.250000 MB of memory in use. ENERGY: 1067400 766.3721 2107.2441 1928.5224 107.3130 -205998.8804 17568.8719 0.0000 0.0000 34245.5522 -149275.0046 299.0749 -183520.5568 -149181.6842 298.8517 -134.1440 -102.3854 558181.1769 -4.9745 -4.7195 PRESSURE: 1067600 -190.305 83.21 74.4994 83.2103 -175.759 -4.61784 74.4999 -4.6159 175.096 GPRESSURE: 1067600 -102.106 111.309 176.1 20.4849 -175.401 6.59428 -5.85497 -27.5851 179.538 PRESSAVG: 1067600 8.9527 -29.9368 0.0732887 -29.9368 -26.2258 38.4985 0.0732535 38.4986 21.912 GPRESSAVG: 1067600 10.3041 -30.334 3.07336 -28.2423 -26.3704 41.0444 -0.660905 36.5988 20.4679 TIMING: 1067600 CPU: 3167.28, 0.00298311/step Wall: 3167.28, 0.00298311/step, 3.25855 hours remaining, 208.250000 MB of memory in use. ENERGY: 1067600 737.3180 2098.3793 1926.8109 110.5065 -206191.4972 17756.6195 0.0000 0.0000 34251.4532 -149310.4098 299.1265 -183561.8630 -149218.3156 299.1128 -63.6559 -32.6565 558092.2050 1.5463 1.4672 PRESSURE: 1067800 349.604 -79.6806 23.7671 -79.6808 -314.404 -118.222 23.7661 -118.222 -92.3314 GPRESSURE: 1067800 348.432 -308.847 -4.25799 -3.02478 -248.726 -8.95984 112.115 -83.7507 -62.6842 PRESSAVG: 1067800 -32.6449 -16.7269 -3.82079 -16.7269 -9.55684 0.664497 -3.82078 0.664503 41.9978 GPRESSAVG: 1067800 -34.6118 -16.8294 -6.2878 -17.5186 -8.67658 -1.28894 -1.63266 3.92074 42.677 TIMING: 1067800 CPU: 3167.88, 0.00300412/step Wall: 3167.88, 0.00300412/step, 3.28133 hours remaining, 208.250000 MB of memory in use. ENERGY: 1067800 745.5878 2093.7162 1949.5848 110.9220 -206225.0393 17808.2277 0.0000 0.0000 34122.0011 -149394.9996 297.9959 -183517.0008 -149296.7073 298.2915 -19.0438 12.3405 556799.0239 -0.0680 -0.2038 PRESSURE: 1068000 50.8232 -54.3519 121.012 -54.351 -46.3044 -25.4099 121.012 -25.4111 -227.541 GPRESSURE: 1068000 74.1141 39.7056 73.3503 -84.8138 -27.5149 -26.6546 151.16 -31.7085 -157.531 PRESSAVG: 1068000 -28.0519 -10.381 1.08501 -10.3811 -6.71404 -15.7721 1.08501 -15.7721 40.1513 GPRESSAVG: 1068000 -26.5648 -7.85666 3.50026 -11.321 -7.20751 -15.2486 -0.981151 -16.0566 39.4359 TIMING: 1068000 CPU: 3168.47, 0.00297819/step Wall: 3168.47, 0.00297819/step, 3.25284 hours remaining, 208.250000 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: 1068000 741.7288 2040.8346 1921.4011 109.0398 -206205.3308 17682.4609 0.0000 0.0000 34421.3965 -149288.4691 300.6106 -183709.8656 -149182.3834 298.5003 -74.3408 -36.9773 555912.6938 1.7951 1.8879 PRESSURE: 1068200 -109.694 16.834 18.3321 16.8347 -115.029 -44.3657 18.3324 -44.3645 -73.0764 GPRESSURE: 1068200 -87.6189 11.1227 27.2423 -32.1784 -135.902 -38.1384 13.2397 -43.9715 11.8533 PRESSAVG: 1068200 -72.1313 10.1486 1.26138 10.1486 6.34039 -18.62 1.26134 -18.62 75.3382 GPRESSAVG: 1068200 -71.7926 9.49129 -1.02687 9.38031 6.01912 -20.3636 3.72379 -18.9587 75.1088 TIMING: 1068200 CPU: 3169.07, 0.00297066/step Wall: 3169.07, 0.00297066/step, 3.24446 hours remaining, 208.250000 MB of memory in use. ENERGY: 1068200 756.9183 2088.6208 1948.2852 112.5594 -206107.6311 17686.9897 0.0000 0.0000 34202.9675 -149311.2902 298.7030 -183514.2577 -149218.8085 298.8956 -99.2665 -70.5558 557481.8714 3.1825 3.1118 LDB: ============= START OF LOAD BALANCING ============== 3172.49 LDB: ============== END OF LOAD BALANCING =============== 3172.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3172.5 LDB: ============= START OF LOAD BALANCING ============== 3172.8 LDB: Largest compute 4847 load 0.031058 is 26.3% of average load 0.117942 LDB: Average compute 0.001731 is 1.5% of average load 0.117942 LDB: TIME 3172.8 LOAD: AVG 0.117942 MAX 0.19606 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.668 MB LDB: TIME 3172.8 LOAD: AVG 0.117942 MAX 0.19606 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: TIME 3172.8 LOAD: AVG 0.117942 MAX 0.19606 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.875 MB LDB: ============== END OF LOAD BALANCING =============== 3172.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3172.81 PRESSURE: 1068400 -200.298 -134.101 -52.8568 -134.102 94.0444 119.056 -52.8566 119.057 165.51 GPRESSURE: 1068400 -175.2 -44.2301 -64.0275 -173.661 151.136 139.305 -0.340208 142.702 181.79 PRESSAVG: 1068400 -75.0552 -16.7141 -7.36644 -16.714 -26.6293 35.0146 -7.36641 35.0147 53.6463 GPRESSAVG: 1068400 -75.1904 -16.8784 -6.3739 -15.5911 -27.1006 35.087 -9.05756 35.6245 54.3003 TIMING: 1068400 CPU: 3169.68, 0.00305539/step Wall: 3169.68, 0.00305539/step, 3.33682 hours remaining, 206.179688 MB of memory in use. ENERGY: 1068400 746.1879 2089.9497 1949.1495 92.1329 -206508.3862 18102.8765 0.0000 0.0000 34197.5099 -149330.5799 298.6554 -183528.0898 -149230.4794 298.5047 19.7522 52.5754 558651.1203 -16.0127 -15.9969 PRESSURE: 1068600 42.4566 60.02 79.3341 60.0204 49.6873 93.3548 79.3334 93.3555 -257.473 GPRESSURE: 1068600 57.5387 45.9208 134.444 60.7973 101.194 68.8452 86.983 93.0395 -234.34 PRESSAVG: 1068600 -2.21354 -2.18386 -23.3068 -2.1837 27.3329 1.23156 -23.3068 1.23152 -36.1951 GPRESSAVG: 1068600 -3.19757 -2.64167 -23.7539 -0.90263 28.4704 0.704533 -23.9333 0.715931 -36.6619 TIMING: 1068600 CPU: 3170.27, 0.00298691/step Wall: 3170.27, 0.00298691/step, 3.26187 hours remaining, 206.179688 MB of memory in use. ENERGY: 1068600 773.2061 2125.3988 1946.9135 102.9567 -206218.9149 17743.5333 0.0000 0.0000 34141.6918 -149385.2146 298.1679 -183526.9065 -149287.9374 298.9857 -55.1097 -25.2025 557452.5741 -3.6919 -3.7964 PRESSURE: 1068800 -329.764 86.7142 96.3913 86.714 -266.934 -125.716 96.3917 -125.714 -301.344 GPRESSURE: 1068800 -207.339 102.777 104.267 60.5343 -282.883 -207.277 77.5301 -83.7023 -286.723 PRESSAVG: 1068800 -7.09935 2.39122 63.7544 2.39124 3.41882 21.9048 63.7543 21.9048 10.069 GPRESSAVG: 1068800 -5.67431 2.93103 64.7281 1.42357 3.27189 21.9019 62.8567 21.2949 9.21545 TIMING: 1068800 CPU: 3170.88, 0.00300802/step Wall: 3170.88, 0.00300802/step, 3.28475 hours remaining, 206.179688 MB of memory in use. ENERGY: 1068800 726.8040 2056.7721 1963.8047 106.7038 -206113.1032 17472.5847 0.0000 0.0000 34450.1784 -149336.2555 300.8620 -183786.4339 -149225.0647 298.6811 -299.3476 -258.9816 559146.4433 2.1295 2.2710 PRESSURE: 1069000 -78.2116 -27.8755 -0.31313 -27.8763 16.2039 -151.031 -0.313536 -151.03 -357.159 GPRESSURE: 1069000 -37.4311 -32.5068 7.73326 6.12604 63.3556 -29.8552 20.3339 -217.544 -347.322 PRESSAVG: 1069000 -38.5062 -28.5178 9.38509 -28.5179 86.4405 3.46064 9.38504 3.46077 -71.1958 GPRESSAVG: 1069000 -38.361 -28.365 9.30353 -27.1669 85.6619 5.57677 11.3148 4.74561 -70.6217 TIMING: 1069000 CPU: 3171.47, 0.00298503/step Wall: 3171.47, 0.00298503/step, 3.25949 hours remaining, 206.179688 MB of memory in use. ENERGY: 1069000 762.1851 2067.8331 1939.4192 106.9443 -206031.5392 17566.0363 0.0000 0.0000 34232.0022 -149357.1189 298.9566 -183589.1211 -149254.5009 298.7856 -139.7224 -107.1326 557487.6525 -7.7538 -7.7736 PRESSURE: 1069200 -214.035 148.115 -117.33 148.115 -195.468 137.75 -117.331 137.749 -390.273 GPRESSURE: 1069200 -212.491 168.583 -88.3732 37.4068 -170.268 51.7641 -162.476 127.701 -310.041 PRESSAVG: 1069200 -35.9716 -10.6177 16.254 -10.6176 8.77253 -30.1965 16.254 -30.1966 19.9853 GPRESSAVG: 1069200 -37.1888 -8.99819 15.0576 -13.0969 10.3628 -31.4645 16.1461 -31.137 19.6193 TIMING: 1069200 CPU: 3172.06, 0.00293986/step Wall: 3172.06, 0.00293986/step, 3.21 hours remaining, 206.179688 MB of memory in use. ENERGY: 1069200 730.4389 2114.5921 1954.7616 121.4656 -206010.5475 17510.6093 0.0000 0.0000 34269.2487 -149309.4314 299.2819 -183578.6801 -149215.2057 299.1834 -266.5918 -230.9334 559148.6855 -2.4046 -2.4023 PRESSURE: 1069400 -193.452 -41.3914 -32.3159 -41.3916 -23.0545 49.2305 -32.3171 49.2305 -177.237 GPRESSURE: 1069400 -144.56 -62.0852 -29.4902 -96.8615 51.5713 103.265 -20.1365 -6.08543 -197.432 PRESSAVG: 1069400 9.63909 -8.35713 10.8844 -8.35713 102.515 33.9226 10.8844 33.9227 -99.9935 GPRESSAVG: 1069400 10.0751 -10.9566 11.6653 -5.91675 101.668 34.5143 9.43052 31.8835 -99.6175 TIMING: 1069400 CPU: 3172.65, 0.00295328/step Wall: 3172.65, 0.00295328/step, 3.22449 hours remaining, 206.179688 MB of memory in use. ENERGY: 1069400 737.1902 2037.3090 1972.2267 115.9085 -206257.9961 17774.3053 0.0000 0.0000 34187.3663 -149433.6901 298.5668 -183621.0563 -149341.1079 298.7586 -131.2480 -96.8070 559155.5963 4.0535 4.0420 PRESSURE: 1069600 22.8301 -50.7691 -60.7868 -50.7697 -30.6013 27.9529 -60.7863 27.9528 32.7904 GPRESSURE: 1069600 67.1467 -9.50754 -59.953 21.7182 -0.961961 -81.3065 -114.049 66.3349 57.7512 PRESSAVG: 1069600 -2.72647 -43.3939 32.4813 -43.3939 43.2779 -6.62319 32.4814 -6.62326 -23.2438 GPRESSAVG: 1069600 -3.65647 -41.6397 31.0826 -45.2504 44.1397 -5.39598 33.8074 -3.00323 -23.0421 TIMING: 1069600 CPU: 3173.24, 0.002946/step Wall: 3173.24, 0.002946/step, 3.21637 hours remaining, 206.179688 MB of memory in use. ENERGY: 1069600 741.2145 2049.7095 1936.5333 111.2900 -206343.1810 17867.8627 0.0000 0.0000 34273.0276 -149363.5434 299.3149 -183636.5711 -149265.8785 298.4408 8.3397 41.3120 556441.8468 5.7692 5.8137 PRESSURE: 1069800 -106.765 298.809 83.9172 298.808 42.0627 -73.4349 83.9175 -73.435 -137.313 GPRESSURE: 1069800 -41.0978 228.862 168.976 329.806 74.2803 -19.4764 86.0317 -116.001 -116.274 PRESSAVG: 1069800 -16.1752 18.7098 21.4562 18.7097 74.4981 22.6944 21.4562 22.6944 -95.1542 GPRESSAVG: 1069800 -15.9956 16.4881 21.9807 19.997 74.213 21.6977 20.4803 21.9116 -94.628 TIMING: 1069800 CPU: 3173.83, 0.00296304/step Wall: 3173.83, 0.00296304/step, 3.23482 hours remaining, 206.179688 MB of memory in use. ENERGY: 1069800 781.9387 2041.8448 1933.8652 96.5716 -206146.3756 17870.3678 0.0000 0.0000 34142.6191 -149279.1685 298.1760 -183421.7876 -149188.0357 299.1100 -67.3383 -27.6973 557769.4433 -12.2771 -12.1369 PRESSURE: 1070000 -73.8064 -34.581 -85.1217 -34.5824 -188.547 -71.0349 -85.1215 -71.0342 -49.686 GPRESSURE: 1070000 -59.9608 -70.0168 -76.0589 -89.1997 -106.13 -48.7126 -85.0329 -50.0179 -63.595 PRESSAVG: 1070000 0.715224 23.856 -2.56795 23.8559 18.8666 16.4474 -2.56797 16.4474 -51.0571 GPRESSAVG: 1070000 1.13172 23.8335 -3.42627 23.0311 19.5404 16.0319 -0.568094 15.9377 -52.3288 TIMING: 1070000 CPU: 3174.42, 0.00294862/step Wall: 3174.42, 0.00294862/step, 3.21891 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: 1070000 776.7301 2110.7635 1942.6180 111.9824 -206135.2931 17637.4833 0.0000 0.0000 34159.0278 -149396.6880 298.3193 -183555.7157 -149304.8288 298.6683 -104.0131 -76.5620 557758.0113 -10.4918 -10.5522 PRESSURE: 1070200 -8.84724 -167.653 69.7793 -167.653 108.707 -27.5883 69.7795 -27.5887 161.152 GPRESSURE: 1070200 23.4932 -103.232 26.3574 -220.038 155.798 -83.5848 47.7544 11.2224 178.014 PRESSAVG: 1070200 -14.834 -59.4858 -37.028 -59.4859 -38.6436 82.4126 -37.028 82.4126 45.8704 GPRESSAVG: 1070200 -15.9422 -59.4372 -36.8518 -57.6502 -38.1187 80.9995 -39.8462 82.5646 45.8929 TIMING: 1070200 CPU: 3175.02, 0.0029726/step Wall: 3175.02, 0.0029726/step, 3.24493 hours remaining, 206.179688 MB of memory in use. ENERGY: 1070200 710.1281 2118.0869 1926.4236 110.3671 -206479.7965 17908.3181 0.0000 0.0000 34274.3280 -149432.1447 299.3262 -183706.4727 -149337.0390 298.6185 87.0038 119.1020 557040.6801 -2.5357 -2.7227 PRESSURE: 1070400 13.0097 -59.6022 -51.7411 -59.6034 -105.702 211.463 -51.7415 211.461 125.513 GPRESSURE: 1070400 29.1548 -149.519 -98.0506 30.4635 -89.6689 168.509 -15.3303 188.19 198.512 PRESSAVG: 1070400 -7.59898 -21.2497 -28.6494 -21.2497 -8.34573 32.2653 -28.6493 32.2654 31.5961 GPRESSAVG: 1070400 -8.28694 -20.9411 -28.0356 -22.3141 -9.42228 33.738 -26.551 31.5349 32.7259 TIMING: 1070400 CPU: 3175.61, 0.00297216/step Wall: 3175.61, 0.00297216/step, 3.24428 hours remaining, 206.179688 MB of memory in use. ENERGY: 1070400 746.7602 2079.0904 1929.3127 98.0125 -206266.0694 17846.6648 0.0000 0.0000 34211.8962 -149354.3326 298.7810 -183566.2288 -149257.9567 298.9183 10.9402 45.9992 556716.0997 5.2171 5.0056 PRESSURE: 1070600 -287.971 -185.208 84.7653 -185.208 -1.41813 -32.1315 84.7646 -32.1326 -87.8527 GPRESSURE: 1070600 -234.81 -239.574 -28.2471 -124.149 19.0035 -66.4472 139.428 -95.6897 -64.4716 PRESSAVG: 1070600 -9.79302 -10.1257 -29.7447 -10.1257 14.575 41.2942 -29.7447 41.2943 2.88946 GPRESSAVG: 1070600 -8.21747 -12.0419 -28.8227 -9.42823 13.6883 41.2594 -31.165 41.5516 2.46636 TIMING: 1070600 CPU: 3176.21, 0.00296645/step Wall: 3176.21, 0.00296645/step, 3.23788 hours remaining, 206.179688 MB of memory in use. ENERGY: 1070600 731.4762 2085.5195 1917.4245 101.9810 -206256.5462 17739.3235 0.0000 0.0000 34330.5069 -149350.3145 299.8169 -183680.8214 -149252.2822 298.9944 -125.7472 -93.4262 558874.2753 2.5571 2.6457 PRESSURE: 1070800 -111.1 69.2156 -3.8035 69.2152 386.824 20.1568 -3.80355 20.1577 -26.0044 GPRESSURE: 1070800 -90.264 71.9159 18.7665 24.1176 407.535 -28.2019 4.12777 71.9787 27.6966 PRESSAVG: 1070800 18.9031 -32.3979 -37.7111 -32.3979 9.08019 8.32805 -37.7111 8.32812 -41.8229 GPRESSAVG: 1070800 18.1076 -31.5419 -40.1163 -33.081 9.59459 7.95598 -35.3066 7.87639 -41.5216 TIMING: 1070800 CPU: 3176.8, 0.00297126/step Wall: 3176.8, 0.00297126/step, 3.24296 hours remaining, 206.179688 MB of memory in use. ENERGY: 1070800 742.8427 2065.2922 1964.9409 111.7223 -206486.6581 18106.2753 0.0000 0.0000 34160.4881 -149335.0966 298.3320 -183495.5847 -149234.2104 299.7019 83.2396 114.9891 558078.9065 -4.6132 -4.6065 PRESSURE: 1071000 -31.8766 43.8188 -99.3601 43.8166 16.0746 -135.239 -99.3593 -135.241 -115.923 GPRESSURE: 1071000 12.08 4.07411 -161.337 32.3951 52.6827 -158.286 -62.3817 -116.565 -96.4722 PRESSAVG: 1071000 0.104729 23.9049 -27.3439 23.9049 -34.6678 -13.3402 -27.3439 -13.3403 23.4081 GPRESSAVG: 1071000 -0.0143077 23.3508 -27.2294 23.381 -33.3949 -12.7034 -28.5853 -11.5307 22.2644 TIMING: 1071000 CPU: 3177.39, 0.00297091/step Wall: 3177.39, 0.00297091/step, 3.24242 hours remaining, 206.179688 MB of memory in use. ENERGY: 1071000 781.9027 2066.4355 1952.7584 114.5315 -206424.8685 18021.6351 0.0000 0.0000 34112.3804 -149375.2249 297.9119 -183487.6053 -149273.2001 298.1853 -43.9084 -10.5698 558286.2187 -3.7183 -3.7149 PRESSURE: 1071200 -67.3063 -39.9744 -20.0644 -39.9747 67.9738 -90.158 -20.0644 -90.1577 -155.79 GPRESSURE: 1071200 -33.7612 -24.6094 41.7407 -65.7118 70.5291 -111.425 -6.99938 -81.6342 -93.5778 PRESSAVG: 1071200 8.27699 -67.2361 -36.7084 -67.2361 0.745288 1.62176 -36.7084 1.62177 -5.82681 GPRESSAVG: 1071200 7.80009 -66.7396 -37.417 -65.7851 0.727936 1.0865 -35.7609 0.622448 -5.1255 TIMING: 1071200 CPU: 3177.99, 0.00299016/step Wall: 3177.99, 0.00299016/step, 3.26327 hours remaining, 206.179688 MB of memory in use. ENERGY: 1071200 751.9435 2138.4270 1933.4488 126.7989 -206083.4049 17701.8220 0.0000 0.0000 34384.2119 -149046.7528 300.2859 -183430.9647 -148947.7302 298.8465 -51.7076 -18.9366 558037.4617 1.0652 1.1342 PRESSURE: 1071400 -207.099 -72.3222 189.736 -72.3226 76.2407 1.52037 189.737 1.51989 -345.127 GPRESSURE: 1071400 -169.552 -73.698 117.824 35.1067 95.5387 -7.66697 293.858 -32.7977 -299.951 PRESSAVG: 1071400 -29.8597 -65.9661 49.4202 -65.9661 19.7344 -17.0812 49.4202 -17.0812 -23.8353 GPRESSAVG: 1071400 -29.4352 -65.9248 51.5573 -65.1703 19.3191 -19.0248 49.9095 -14.5703 -23.7568 TIMING: 1071400 CPU: 3178.59, 0.00298823/step Wall: 3178.59, 0.00298823/step, 3.26099 hours remaining, 206.179688 MB of memory in use. ENERGY: 1071400 815.5522 2137.6280 1957.4301 119.1077 -206033.9659 17793.0667 0.0000 0.0000 34142.5050 -149068.6762 298.1750 -183211.1812 -148977.5556 299.5614 -158.6617 -124.6549 558496.5186 -11.3202 -11.2909 PRESSURE: 1071600 69.097 142.739 128.503 142.739 82.1221 26.7395 128.501 26.7412 -92.7654 GPRESSURE: 1071600 100.425 192.551 -9.46941 36.6275 77.6931 7.56005 245.687 66.3171 -16.3397 PRESSAVG: 1071600 15.3876 57.9352 56.2527 57.9351 1.86603 -32.2323 56.2527 -32.2323 -37.5399 GPRESSAVG: 1071600 15.0597 58.9065 56.7432 56.5081 1.9776 -30.564 55.3909 -34.2977 -37.0305 TIMING: 1071600 CPU: 3179.19, 0.00298809/step Wall: 3179.19, 0.00298809/step, 3.26067 hours remaining, 206.179688 MB of memory in use. ENERGY: 1071600 765.7929 2100.6009 1978.4688 121.2097 -206664.8042 18021.3056 0.0000 0.0000 34378.1191 -149299.3072 300.2327 -183677.4263 -149203.7054 299.2874 19.4846 53.9262 557157.9307 -6.7621 -6.6644 PRESSURE: 1071800 -171.567 -107.175 -27.0072 -107.175 98.3939 75.0794 -27.0067 75.0786 -330.857 GPRESSURE: 1071800 -154.733 -68.3936 22.4405 -126.494 153.956 64.5639 -65.2142 85.1991 -308.337 PRESSAVG: 1071800 -59.5834 -0.543449 46.1244 -0.543435 -5.91698 -74.5692 46.1244 -74.5692 42.4259 GPRESSAVG: 1071800 -58.5282 -1.20775 44.5948 -0.146218 -6.1284 -73.0084 45.2148 -74.3803 41.7036 TIMING: 1071800 CPU: 3179.79, 0.00299477/step Wall: 3179.79, 0.00299477/step, 3.2678 hours remaining, 206.179688 MB of memory in use. ENERGY: 1071800 762.3264 2104.3345 1933.3344 111.4953 -205822.2732 17520.6244 0.0000 0.0000 34092.7049 -149297.4533 297.7401 -183390.1582 -149201.2599 299.3652 -134.6766 -103.0380 557422.9764 -7.6915 -7.6510 PRESSURE: 1072000 -82.0071 78.2936 36.464 78.2939 156.048 -91.8958 36.4647 -91.8965 -81.592 GPRESSURE: 1072000 -64.5784 99.7134 -15.459 34.7617 186.422 -136.758 86.4642 -79.4525 -23.5906 PRESSAVG: 1072000 -38.459 -31.1561 -41.4277 -31.1561 18.089 -13.0524 -41.4277 -13.0524 -7.38633 GPRESSAVG: 1072000 -38.3757 -30.2305 -40.4593 -32.9415 18.7055 -17.2662 -41.7691 -12.5959 -7.70031 TIMING: 1072000 CPU: 3180.39, 0.00299564/step Wall: 3180.39, 0.00299564/step, 3.26857 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: 1072000 770.3673 2102.0808 1953.0141 115.6805 -206529.3056 18063.9968 0.0000 0.0000 34237.4665 -149286.6995 299.0043 -183524.1660 -149197.2449 299.0701 -2.5170 32.7510 557128.0584 -9.2521 -9.1235 PRESSURE: 1072200 -142.086 95.6611 28.0443 95.662 -201.093 -93.6926 28.0447 -93.6913 -247.413 GPRESSURE: 1072200 -157.565 30.1048 12.8711 -13.8563 -199.189 -146.357 -8.6367 -7.57743 -142.481 PRESSAVG: 1072200 -67.0342 -8.4185 19.4897 -8.4186 85.0406 -18.6309 19.4897 -18.6308 -17.2407 GPRESSAVG: 1072200 -66.5657 -8.82102 19.4998 -7.29145 85.093 -17.3016 18.8871 -16.7734 -17.3009 TIMING: 1072200 CPU: 3180.98, 0.0029954/step Wall: 3180.98, 0.0029954/step, 3.26815 hours remaining, 206.179688 MB of memory in use. ENERGY: 1072200 782.9491 2084.7371 1973.9850 120.8445 -206295.7049 17801.6273 0.0000 0.0000 34364.9574 -149166.6045 300.1177 -183531.5620 -149070.9663 299.2945 -196.8641 -166.4114 557922.4018 0.2552 0.4088 LDB: ============= START OF LOAD BALANCING ============== 3184.41 LDB: ============== END OF LOAD BALANCING =============== 3184.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3184.41 LDB: ============= START OF LOAD BALANCING ============== 3184.71 LDB: Largest compute 4847 load 0.028301 is 24.0% of average load 0.117913 LDB: Average compute 0.001724 is 1.5% of average load 0.117913 LDB: TIME 3184.71 LOAD: AVG 0.117913 MAX 0.198363 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.441 MB LDB: TIME 3184.72 LOAD: AVG 0.117913 MAX 0.198363 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.441 MB LDB: TIME 3184.72 LOAD: AVG 0.117913 MAX 0.198363 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3184.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3184.72 PRESSURE: 1072400 -422.315 10.1036 47.4055 10.1024 -377.181 -74.704 47.4059 -74.7067 -171.4 GPRESSURE: 1072400 -378.128 27.5483 -16.9231 -20.1323 -255.555 -11.5263 57.7407 -107.484 -246.423 PRESSAVG: 1072400 2.5026 -38.5695 20.882 -38.5694 -80.5478 -20.7733 20.882 -20.7733 44.57 GPRESSAVG: 1072400 2.98833 -37.5464 20.3635 -39.8097 -80.7125 -18.8838 21.543 -23.611 44.5854 TIMING: 1072400 CPU: 3181.59, 0.00303513/step Wall: 3181.59, 0.00303513/step, 3.31132 hours remaining, 206.511719 MB of memory in use. ENERGY: 1072400 762.5990 2126.2272 1930.6266 117.5559 -205688.4203 17353.8148 0.0000 0.0000 34236.0701 -149161.5268 298.9921 -183397.5968 -149058.2403 300.1364 -323.6321 -293.3688 558533.3049 -11.1584 -11.0463 PRESSURE: 1072600 107.869 49.7607 27.4112 49.7599 158.327 33.8296 27.4107 33.8293 -36.947 GPRESSURE: 1072600 164.104 8.15634 50.7072 142.035 157.027 51.9034 -60.9357 -0.784441 3.10652 PRESSAVG: 1072600 -49.7603 15.0975 -10.2753 15.0975 -5.10732 -24.4373 -10.2753 -24.4374 43.2036 GPRESSAVG: 1072600 -50.222 14.2539 -10.6984 16.3864 -4.94413 -26.899 -10.1187 -22.4019 43.9744 TIMING: 1072600 CPU: 3182.19, 0.00300359/step Wall: 3182.19, 0.00300359/step, 3.27675 hours remaining, 206.511719 MB of memory in use. ENERGY: 1072600 733.4103 2119.5197 1942.2360 110.8096 -206337.0881 18069.2760 0.0000 0.0000 34104.8636 -149256.9729 297.8463 -183361.8365 -149160.0878 298.3709 76.4164 108.0791 557689.3961 -3.8880 -3.7306 PRESSURE: 1072800 -91.9328 -29.4399 -72.7051 -29.4389 196.91 70.6414 -72.704 70.6407 -202.384 GPRESSURE: 1072800 -62.4992 -34.4066 -10.1619 -9.17915 194.559 115.212 -79.4813 105.834 -120.911 PRESSAVG: 1072800 27.4172 36.6074 -15.3992 36.6074 7.394 10.0897 -15.3993 10.0897 -9.05902 GPRESSAVG: 1072800 27.1409 34.2727 -14.9598 37.2411 7.72994 11.1931 -15.6878 9.61423 -9.69729 TIMING: 1072800 CPU: 3182.79, 0.00297542/step Wall: 3182.79, 0.00297541/step, 3.24585 hours remaining, 206.511719 MB of memory in use. ENERGY: 1072800 742.7893 2114.8682 1952.0487 114.5388 -206421.9454 18025.9827 0.0000 0.0000 34239.1951 -149232.5226 299.0194 -183471.7177 -149137.3781 298.9430 -32.4689 3.7163 558099.1832 8.5841 8.3912 PRESSURE: 1073000 38.4468 2.65513 141.019 2.65552 -246.325 43.4393 141.018 43.4375 -279.136 GPRESSURE: 1073000 37.7212 13.4402 98.4516 -26.7368 -242.563 27.5785 209.311 124.32 -178.94 PRESSAVG: 1073000 0.489467 -21.1504 -17.714 -21.1504 8.94181 -22.0119 -17.7139 -22.0119 46.0402 GPRESSAVG: 1073000 0.356503 -19.2887 -15.814 -21.0432 8.57672 -21.8953 -17.661 -22.3393 46.9199 TIMING: 1073000 CPU: 3183.39, 0.00298906/step Wall: 3183.39, 0.00298906/step, 3.26056 hours remaining, 206.511719 MB of memory in use. ENERGY: 1073000 754.8601 2117.9049 1925.3364 108.9805 -206000.3015 17678.7518 0.0000 0.0000 34237.5257 -149176.9422 299.0048 -183414.4678 -149079.6029 299.0144 -162.3381 -127.9272 558362.1885 18.4905 18.6177 PRESSURE: 1073200 -205.164 70.3424 148.245 70.3432 114.229 -6.93854 148.245 -6.93869 -329.883 GPRESSURE: 1073200 -166.484 114.835 129.647 57.3003 172.227 94.7612 159.301 -64.6106 -333.993 PRESSAVG: 1073200 -13.9042 16.4294 41.1785 16.4294 19.3568 -55.9402 41.1784 -55.9402 23.1136 GPRESSAVG: 1073200 -13.5199 16.332 38.873 17.1293 19.4869 -55.2361 42.9844 -57.5222 22.9084 TIMING: 1073200 CPU: 3183.98, 0.00297731/step Wall: 3183.98, 0.00297731/step, 3.24758 hours remaining, 206.511719 MB of memory in use. ENERGY: 1073200 742.9277 2077.7037 1945.2569 111.8559 -205903.4048 17729.9648 0.0000 0.0000 34122.1353 -149173.5605 297.9971 -183295.6958 -149077.7666 299.1331 -140.2726 -109.4170 558022.5539 9.5221 9.6251 PRESSURE: 1073400 -17.0071 89.5488 100.706 89.548 -74.1084 -36.3412 100.705 -36.341 -109.534 GPRESSURE: 1073400 18.1039 180.54 78.7825 -23.3742 -100.094 -26.4325 69.5051 12.1393 -7.24182 PRESSAVG: 1073400 78.3018 -7.16927 -2.38588 -7.16918 -45.7639 -36.442 -2.38583 -36.442 -49.0312 GPRESSAVG: 1073400 78.6812 -7.15468 -2.32527 -8.59927 -45.6303 -35.8718 -3.83242 -36.0582 -49.5974 TIMING: 1073400 CPU: 3184.58, 0.00297724/step Wall: 3184.58, 0.00297724/step, 3.24734 hours remaining, 206.511719 MB of memory in use. ENERGY: 1073400 759.7874 2059.2424 1937.7693 116.2522 -206185.9292 17875.6134 0.0000 0.0000 34249.3429 -149187.9216 299.1080 -183437.2645 -149088.2341 299.2645 -66.8833 -29.7439 557370.0956 -5.4978 -5.5155 PRESSURE: 1073600 148.762 -12.1641 -80.0513 -12.1651 105.943 -17.2438 -80.0519 -17.2449 16.9165 GPRESSURE: 1073600 136.526 -22.5066 -86.9174 12.2602 148.728 23.1903 -39.8928 58.2101 73.1292 PRESSAVG: 1073600 18.7012 -67.7075 7.38481 -67.7075 77.8466 -24.624 7.38487 -24.6241 -50.3311 GPRESSAVG: 1073600 19.2875 -67.0158 7.99234 -67.6337 76.7121 -25.3105 6.17541 -25.1806 -49.8646 TIMING: 1073600 CPU: 3185.17, 0.00295566/step Wall: 3185.17, 0.00295566/step, 3.22364 hours remaining, 206.511719 MB of memory in use. ENERGY: 1073600 732.1251 2107.5125 1959.9710 119.6370 -206385.9947 17982.1373 0.0000 0.0000 34335.6988 -149148.9129 299.8622 -183484.6118 -149056.3408 299.1666 90.5404 119.4610 556665.6651 15.4056 15.3784 PRESSURE: 1073800 47.7053 -102.147 43.8345 -102.146 220.797 60.4073 43.8343 60.4097 66.2869 GPRESSURE: 1073800 55.8354 -135.551 72.7538 -60.1802 235.675 63.5696 19.7973 94.3742 138.763 PRESSAVG: 1073800 -29.6424 -78.7327 9.61561 -78.7327 60.35 -15.1582 9.61567 -15.1582 -14.2844 GPRESSAVG: 1073800 -29.7133 -79.3643 11.7854 -78.6462 61.7472 -13.3303 10.3757 -17.9134 -15.5727 TIMING: 1073800 CPU: 3185.76, 0.00295682/step Wall: 3185.76, 0.00295682/step, 3.22474 hours remaining, 206.511719 MB of memory in use. ENERGY: 1073800 749.3407 2037.5241 1946.8540 107.8001 -206208.2799 17952.0828 0.0000 0.0000 34162.3210 -149252.3573 298.3480 -183414.6783 -149153.9523 298.8603 111.5965 143.4247 557927.0438 5.4744 5.4871 PRESSURE: 1074000 27.2665 201.194 37.588 201.195 -65.213 61.6509 37.5873 61.6505 3.38201 GPRESSURE: 1074000 36.6962 97.9431 -19.7142 226.418 -21.4097 115.562 83.5187 107.349 40.0167 PRESSAVG: 1074000 49.7256 -12.7681 27.2279 -12.7682 -108.829 14.5291 27.2279 14.529 62.6706 GPRESSAVG: 1074000 49.7751 -13.4181 24.5781 -11.8215 -110.331 11.8708 29.1326 18.0857 64.6168 TIMING: 1074000 CPU: 3186.35, 0.00296108/step Wall: 3186.35, 0.00296108/step, 3.22922 hours remaining, 206.511719 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: 1074000 703.0389 2068.6425 1914.6761 98.8831 -206067.4872 17771.6959 0.0000 0.0000 34089.7529 -149420.7978 297.7143 -183510.5507 -149325.5625 298.6501 -11.5215 18.4344 558072.1662 1.1892 1.3537 PRESSURE: 1074200 134.073 130.885 40.0003 130.885 80.1207 16.2688 40.0009 16.2686 151.098 GPRESSURE: 1074200 129.429 184.171 53.9677 128.824 145.821 7.49234 97.1118 24.8543 200.986 PRESSAVG: 1074200 -2.88561 -50.4314 -46.298 -50.4314 -14.8677 27.2913 -46.298 27.2914 2.68509 GPRESSAVG: 1074200 -3.05153 -47.5563 -43.7816 -53.8481 -12.7229 28.0413 -49.5478 25.8963 0.682733 TIMING: 1074200 CPU: 3186.94, 0.0029613/step Wall: 3186.94, 0.0029613/step, 3.22929 hours remaining, 206.511719 MB of memory in use. ENERGY: 1074200 729.2377 2048.1041 1953.8462 110.9533 -206645.6557 18169.3770 0.0000 0.0000 34181.2205 -149452.9170 298.5131 -183634.1375 -149355.2189 297.9070 121.7640 158.7454 557577.3547 -5.0228 -5.0306 PRESSURE: 1074400 228.177 -16.994 -22.7947 -16.9934 -235.85 -9.38311 -22.7957 -9.3849 -79.3419 GPRESSURE: 1074400 264.549 -57.3437 -86.7298 56.3932 -236.049 -74.8339 14.0717 -54.4276 -30.2863 PRESSAVG: 1074400 -0.841465 -37.9081 22.5429 -37.9081 2.60004 37.7899 22.543 37.7899 5.08557 GPRESSAVG: 1074400 -0.267707 -38.666 18.5984 -38.2617 1.63411 37.1033 26.7144 38.9531 5.45392 TIMING: 1074400 CPU: 3187.54, 0.0029621/step Wall: 3187.54, 0.0029621/step, 3.23001 hours remaining, 206.511719 MB of memory in use. ENERGY: 1074400 754.0899 2110.2525 1944.9742 127.8458 -206147.8113 17743.8915 0.0000 0.0000 34196.3875 -149270.3699 298.6456 -183466.7574 -149177.1897 298.6911 -29.0052 -0.5956 557709.8427 2.2814 2.2734 PRESSURE: 1074600 -124.313 109.884 6.51443 109.884 -108.773 -7.81524 6.51489 -7.81363 -54.2575 GPRESSURE: 1074600 -60.4587 43.6994 41.2253 24.1293 -145.049 -14.3204 4.87198 16.0264 9.65342 PRESSAVG: 1074600 -11.5454 -6.70658 6.21648 -6.70656 7.90178 8.55284 6.21649 8.55295 -20.8526 GPRESSAVG: 1074600 -11.5153 -8.39905 8.47076 -4.1019 7.66495 10.1229 3.69807 6.31154 -20.5737 TIMING: 1074600 CPU: 3188.13, 0.00296853/step Wall: 3188.13, 0.00296853/step, 3.23686 hours remaining, 206.511719 MB of memory in use. ENERGY: 1074600 717.5714 2069.6092 1974.9151 126.7338 -205883.5285 17653.2032 0.0000 0.0000 34194.8140 -149146.6817 298.6318 -183341.4958 -149043.3140 298.4688 -95.7812 -65.2848 557875.6467 -8.1654 -8.1413 PRESSURE: 1074800 -118.351 76.4442 -32.1094 76.4456 52.0589 -144.613 -32.1084 -144.613 -294.99 GPRESSURE: 1074800 -50.8195 62.6327 -12.4206 116.495 72.2769 -150.454 -7.28357 -134.12 -283.838 PRESSAVG: 1074800 -19.642 25.9847 -7.16365 25.9847 32.8718 -5.2388 -7.16377 -5.23881 0.507484 GPRESSAVG: 1074800 -20.8536 26.5385 -6.92542 24.875 33.5202 -3.98731 -6.87266 -5.4732 1.08909 TIMING: 1074800 CPU: 3188.73, 0.00299857/step Wall: 3188.73, 0.00299857/step, 3.26944 hours remaining, 206.511719 MB of memory in use. ENERGY: 1074800 749.8787 2142.2070 1938.8015 117.0003 -205991.9051 17654.4178 0.0000 0.0000 34047.3386 -149342.2612 297.3439 -183389.5999 -149247.3696 298.4137 -120.4272 -87.4602 559113.9173 4.5791 4.5852 PRESSURE: 1075000 8.35529 21.3654 11.6114 21.3649 106.108 -9.40533 11.6117 -9.4052 -78.7364 GPRESSURE: 1075000 68.8587 -50.1132 -21.7453 -7.68128 115.396 18.9586 -25.1746 59.5243 -39.873 PRESSAVG: 1075000 -6.66352 23.969 -35.0888 23.969 -14.4919 -50.6438 -35.0888 -50.6438 52.6062 GPRESSAVG: 1075000 -6.22663 23.2254 -36.5603 24.1728 -15.5468 -51.4666 -35.4336 -48.8813 53.456 TIMING: 1075000 CPU: 3189.32, 0.0029792/step Wall: 3189.32, 0.0029792/step, 3.24816 hours remaining, 206.511719 MB of memory in use. ENERGY: 1075000 774.9034 2119.6360 1952.9074 120.1097 -206481.1220 17936.6917 0.0000 0.0000 34329.4232 -149247.4506 299.8074 -183576.8738 -149150.9604 299.1660 11.9089 48.1272 555776.0276 10.4836 10.5608 PRESSURE: 1075200 170.624 -60.9932 67.3964 -60.9936 -56.7722 81.0964 67.3968 81.0952 37.8455 GPRESSURE: 1075200 189.717 -65.4825 47.6371 -2.74855 -58.8326 10.1854 112.451 39.7834 123.273 PRESSAVG: 1075200 56.2085 -50.5923 -41.0759 -50.5923 5.7348 -17.1229 -41.0759 -17.1227 -9.6742 GPRESSAVG: 1075200 56.768 -52.0834 -39.1164 -49.3532 5.94674 -16.534 -40.565 -16.3671 -10.3144 TIMING: 1075200 CPU: 3189.92, 0.00296464/step Wall: 3189.92, 0.00296464/step, 3.23212 hours remaining, 206.511719 MB of memory in use. ENERGY: 1075200 765.6450 2087.4706 1950.7224 121.0303 -206196.3163 17770.7196 0.0000 0.0000 34324.9327 -149175.7956 299.7682 -183500.7283 -149078.5663 298.6930 50.5658 84.7192 556807.6743 17.4230 17.4668 PRESSURE: 1075400 52.0811 214.294 158.142 214.296 -106.982 -0.573313 158.143 -0.573452 74.0496 GPRESSURE: 1075400 94.5863 174.72 174.819 171.49 -72.2653 -0.204025 225.55 -6.11165 98.8282 PRESSAVG: 1075400 34.8115 5.26844 -23.6278 5.26849 -26.897 -30.6361 -23.6278 -30.6361 -9.26421 GPRESSAVG: 1075400 33.9688 6.80277 -24.999 4.7158 -26.9302 -31.791 -22.6162 -31.6527 -9.16152 TIMING: 1075400 CPU: 3190.51, 0.00294101/step Wall: 3190.51, 0.00294101/step, 3.20619 hours remaining, 206.511719 MB of memory in use. ENERGY: 1075400 757.3148 2105.8868 1962.7016 100.5788 -206121.0342 17922.2972 0.0000 0.0000 34136.4881 -149135.7668 298.1224 -183272.2549 -149043.2627 299.1805 6.3829 40.3831 558258.1942 -0.4499 -0.7077 PRESSURE: 1075600 -267.747 -2.29842 170.422 -2.29912 -53.5986 146.147 170.422 146.148 105.806 GPRESSURE: 1075600 -198.49 22.0875 187.32 -56.4737 -9.79724 106.417 127.459 215.601 85.0722 PRESSAVG: 1075600 -31.6893 -23.282 26.1731 -23.282 -23.652 24.7245 26.173 24.7245 49.9246 GPRESSAVG: 1075600 -30.7536 -25.7539 27.2352 -22.9966 -22.8786 24.0861 24.8642 25.3717 47.963 TIMING: 1075600 CPU: 3191.1, 0.00298291/step Wall: 3191.1, 0.00298291/step, 3.2517 hours remaining, 206.511719 MB of memory in use. ENERGY: 1075600 761.7353 2090.4161 1936.9090 111.3660 -206077.6225 17710.2154 0.0000 0.0000 34381.7031 -149085.2776 300.2640 -183466.9807 -148990.2519 299.8306 -71.8466 -41.0718 558693.1308 -1.8056 -1.8898 PRESSURE: 1075800 -398.13 223.85 137.644 223.851 47.9354 -21.7896 137.645 -21.7891 -84.8542 GPRESSURE: 1075800 -412.294 209.598 167.122 275.714 102.604 5.45476 186.284 2.78022 -28.0064 PRESSAVG: 1075800 10.1582 89.1989 30.4124 89.199 1.75742 -41.0718 30.4125 -41.0718 12.0236 GPRESSAVG: 1075800 10.3926 90.8145 28.6569 89.5408 1.26534 -38.8352 30.9021 -42.647 12.585 TIMING: 1075800 CPU: 3191.7, 0.00300699/step Wall: 3191.7, 0.00300699/step, 3.27778 hours remaining, 206.511719 MB of memory in use. ENERGY: 1075800 758.9326 2140.3328 1954.5077 108.5061 -205930.5781 17701.1316 0.0000 0.0000 34103.4696 -149163.6978 297.8341 -183267.1674 -149066.6469 299.1620 -145.0163 -112.5653 560563.9030 7.9797 8.0810 PRESSURE: 1076000 6.04355 -25.9412 23.2666 -25.9415 -52.7764 9.52684 23.266 9.52849 -45.6876 GPRESSURE: 1076000 49.7987 -55.1616 -36.6973 -31.522 -9.68236 38.3644 20.3564 15.0929 -38.2636 PRESSAVG: 1076000 -29.6585 39.4474 34.5851 39.4473 76.1613 12.6632 34.585 12.6632 -39.5867 GPRESSAVG: 1076000 -30.8303 39.6593 35.3976 40.6472 75.9141 11.7753 33.3679 13.0871 -38.3818 TIMING: 1076000 CPU: 3192.3, 0.00298072/step Wall: 3192.3, 0.00298072/step, 3.24899 hours remaining, 206.511719 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: 1076000 761.6780 2097.8785 1958.5554 108.8051 -206270.7176 17921.7721 0.0000 0.0000 34426.9608 -148995.0678 300.6592 -183422.0286 -148894.5139 299.6090 -30.8068 0.6176 557401.6130 2.3054 2.2340 PRESSURE: 1076200 32.2203 75.915 104.738 75.9151 -100.682 -31.1316 104.739 -31.1316 89.3811 GPRESSURE: 1076200 -23.2899 78.4693 106.242 98.7336 -30.1631 55.5763 167.064 -22.0917 160.891 PRESSAVG: 1076200 74.8847 43.4535 -2.1222 43.4535 28.7627 14.4415 -2.12222 14.4414 -32.0475 GPRESSAVG: 1076200 74.6356 43.9258 -2.59639 43.8057 28.9168 14.4488 0.237041 15.8274 -31.7059 TIMING: 1076200 CPU: 3192.89, 0.00295378/step Wall: 3192.89, 0.00295378/step, 3.21946 hours remaining, 206.511719 MB of memory in use. ENERGY: 1076200 798.2008 2103.1157 1953.8358 114.4877 -206286.2695 17910.0326 0.0000 0.0000 34175.3713 -149231.2255 298.4620 -183406.5968 -149136.5829 299.9257 6.9730 35.8128 556201.1404 23.8667 23.9488 LDB: ============= START OF LOAD BALANCING ============== 3196.32 LDB: ============== END OF LOAD BALANCING =============== 3196.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3196.32 LDB: ============= START OF LOAD BALANCING ============== 3196.62 LDB: Largest compute 4821 load 0.029856 is 25.3% of average load 0.117943 LDB: Average compute 0.001732 is 1.5% of average load 0.117943 LDB: TIME 3196.62 LOAD: AVG 0.117943 MAX 0.197741 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 3196.62 LOAD: AVG 0.117943 MAX 0.197741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: TIME 3196.62 LOAD: AVG 0.117943 MAX 0.197741 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.746 MB LDB: ============== END OF LOAD BALANCING =============== 3196.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3196.63 PRESSURE: 1076400 -85.8016 -0.937609 170.542 -0.937072 -464.854 16.0775 170.541 16.0787 -315.819 GPRESSURE: 1076400 -57.6111 56.7873 93.8951 21.6074 -463.45 -18.0274 241.186 -5.9328 -234.859 PRESSAVG: 1076400 45.9405 26.101 3.90326 26.101 -49.1619 87.0859 3.90332 87.0859 -16.0173 GPRESSAVG: 1076400 47.4112 25.4759 4.96988 23.2351 -49.8349 85.6765 3.27499 87.1481 -16.5391 TIMING: 1076400 CPU: 3193.5, 0.00303848/step Wall: 3193.5, 0.00303848/step, 3.31161 hours remaining, 206.507812 MB of memory in use. ENERGY: 1076400 768.0782 2124.1215 1986.2075 118.2574 -205589.7091 17414.4100 0.0000 0.0000 34003.1958 -149175.4388 296.9584 -183178.6346 -149075.3721 298.6815 -288.8248 -251.9736 558833.5518 -6.4129 -6.3209 PRESSURE: 1076600 -254.096 -82.7937 76.7383 -82.793 -132.95 47.5669 76.7383 47.5664 -123.272 GPRESSURE: 1076600 -204.768 -139.705 -29.4753 -11.103 -93.2518 126.253 55.4834 -68.4889 -109.507 PRESSAVG: 1076600 50.3616 -2.92407 -12.6572 -2.92393 -45.6127 40.9463 -12.6572 40.9462 -13.699 GPRESSAVG: 1076600 47.8529 -3.70895 -13.4569 -2.68656 -43.8231 42.7372 -13.1176 40.6039 -13.4172 TIMING: 1076600 CPU: 3194.1, 0.00299392/step Wall: 3194.1, 0.00299392/step, 3.26287 hours remaining, 206.707031 MB of memory in use. ENERGY: 1076600 770.7632 2142.6168 1948.1563 130.1214 -206034.1634 17631.8564 0.0000 0.0000 34178.0479 -149232.6013 298.4854 -183410.6492 -149134.6110 299.1027 -170.1058 -135.8423 556565.1129 -2.9834 -3.1292 PRESSURE: 1076800 -154.581 -229.309 -120.303 -229.31 -62.3965 168.468 -120.304 168.469 37.777 GPRESSURE: 1076800 -75.5434 -234.243 -111.042 -276.172 -38.8309 101.421 -43.6737 120.637 42.4957 PRESSAVG: 1076800 48.3584 -14.9776 29.3473 -14.9777 -39.2136 47.089 29.3472 47.089 25.5042 GPRESSAVG: 1076800 49.9611 -11.5421 31.3812 -15.6175 -41.4943 47.9024 29.766 44.0056 25.7444 TIMING: 1076800 CPU: 3194.69, 0.00298508/step Wall: 3194.69, 0.00298508/step, 3.25308 hours remaining, 206.707031 MB of memory in use. ENERGY: 1076800 727.1514 2143.7622 1941.1091 108.8990 -206211.9149 17687.7642 0.0000 0.0000 34315.6148 -149287.6143 299.6868 -183603.2291 -149190.5908 299.1346 -59.7334 -23.9595 557444.6140 11.5497 11.4037 PRESSURE: 1077000 -190.323 -90.7042 120.919 -90.7034 -192.263 6.40849 120.92 6.41031 -59.8609 GPRESSURE: 1077000 -196.525 -75.8856 99.734 -212.981 -114.746 -10.052 227.257 9.91523 -39.1211 PRESSAVG: 1077000 -2.93774 -29.2876 -12.5674 -29.2876 -6.01606 41.7935 -12.5674 41.7934 -0.417693 GPRESSAVG: 1077000 -3.97458 -30.7967 -12.7956 -29.3021 -5.66134 40.9717 -12.9267 43.9662 0.347418 TIMING: 1077000 CPU: 3195.28, 0.00295296/step Wall: 3195.28, 0.00295296/step, 3.21791 hours remaining, 206.707031 MB of memory in use. ENERGY: 1077000 716.2016 2049.2312 1949.1821 116.1335 -205901.5091 17550.9467 0.0000 0.0000 34172.7291 -149347.0849 298.4389 -183519.8139 -149242.6123 298.7998 -147.4822 -116.7973 558795.5394 -3.1238 -3.0962 PRESSURE: 1077200 -130.179 -67.5467 109.878 -67.5457 96.8739 112.436 109.879 112.435 133.808 GPRESSURE: 1077200 -120.085 -100.897 46.5812 -51.5314 175.859 125.517 182.518 108.705 141.195 PRESSAVG: 1077200 6.67132 -9.22364 -6.56119 -9.22362 -8.87988 43.9013 -6.56118 43.9014 4.85391 GPRESSAVG: 1077200 7.24266 -10.0016 -6.15084 -5.77192 -8.40772 44.8905 -10.3169 43.6955 3.47038 TIMING: 1077200 CPU: 3195.88, 0.00296728/step Wall: 3195.88, 0.00296728/step, 3.23335 hours remaining, 206.707031 MB of memory in use. ENERGY: 1077200 718.4151 2125.8300 1986.9297 128.2629 -206394.6812 17805.3043 0.0000 0.0000 34416.6507 -149213.2884 300.5692 -183629.9392 -149110.6374 299.7373 33.5009 65.6564 556671.4730 0.8818 0.7684 PRESSURE: 1077400 -124.51 -50.2522 14.6505 -50.2507 123.593 -25.4496 14.6505 -25.4496 62.0624 GPRESSURE: 1077400 -63.0062 -36.6265 94.2433 -40.6672 164.627 -2.43491 -4.33116 -45.3065 62.523 PRESSAVG: 1077400 -44.6549 -40.9113 10.4943 -40.9113 24.6702 46.0419 10.4943 46.042 63.0487 GPRESSAVG: 1077400 -45.2005 -40.2543 8.40747 -42.9107 24.6293 45.7969 13.6626 47.2222 63.6786 TIMING: 1077400 CPU: 3196.48, 0.00298725/step Wall: 3196.48, 0.00298725/step, 3.25494 hours remaining, 206.707031 MB of memory in use. ENERGY: 1077400 727.4260 2089.4469 1958.2983 111.6983 -206127.5499 17764.9797 0.0000 0.0000 34271.6467 -149204.0540 299.3028 -183475.7008 -149103.2042 299.3148 20.3818 54.7146 556737.4260 14.3547 14.3691 PRESSURE: 1077600 16.9671 80.6909 -20.9371 80.6926 -221.78 65.4561 -20.9365 65.4571 -153.432 GPRESSURE: 1077600 12.3304 84.6743 38.7882 87.4913 -156.385 -73.717 -7.32761 95.0605 -128.294 PRESSAVG: 1077600 14.1017 -46.8311 38.7874 -46.8312 -93.5209 47.4133 38.7874 47.4132 40.9186 GPRESSAVG: 1077600 14.3608 -45.4257 39.828 -47.2204 -93.7593 44.3975 37.9051 47.1712 41.3639 TIMING: 1077600 CPU: 3197.07, 0.00297428/step Wall: 3197.07, 0.00297428/step, 3.24064 hours remaining, 206.707031 MB of memory in use. ENERGY: 1077600 729.9525 2111.5116 1944.2104 119.4958 -206289.3233 17710.7870 0.0000 0.0000 34383.3896 -149289.9764 300.2787 -183673.3660 -149192.2772 300.1151 -119.4151 -90.7827 557128.2405 -12.8335 -12.6782 PRESSURE: 1077800 -377.402 -105.428 -55.5761 -105.428 -211.163 -116.894 -55.5769 -116.894 -218.988 GPRESSURE: 1077800 -352.886 -134.517 -87.0091 -111.37 -170.43 -67.3113 -24.0921 -99.8167 -199.847 PRESSAVG: 1077800 -34.5973 -36.2976 31.6573 -36.2976 25.5958 -20.4693 31.6573 -20.4694 34.2393 GPRESSAVG: 1077800 -33.582 -37.2083 31.6352 -35.2388 26.4211 -19.42 31.9711 -20.8777 32.9745 TIMING: 1077800 CPU: 3197.67, 0.00298334/step Wall: 3197.67, 0.00298334/step, 3.25035 hours remaining, 206.707031 MB of memory in use. ENERGY: 1077800 755.0393 2115.5359 1944.4589 127.0804 -206100.5065 17463.1022 0.0000 0.0000 34348.3755 -149346.9143 299.9729 -183695.2899 -149249.6216 299.7969 -269.1842 -241.0543 558058.9623 8.4126 8.6045 PRESSURE: 1078000 56.548 1.43594 42.682 1.43556 21.5725 -111.355 42.6821 -111.356 141.913 GPRESSURE: 1078000 111.7 -22.849 45.0082 -3.32721 21.7737 -128.143 12.4376 -74.8994 181.857 PRESSAVG: 1078000 -75.2739 -27.3222 24.86 -27.3223 91.7948 -32.7045 24.86 -32.7044 17.5309 GPRESSAVG: 1078000 -75.5807 -26.8167 24.454 -27.7392 91.0532 -33.265 25.2989 -32.0233 19.177 TIMING: 1078000 CPU: 3198.26, 0.00298564/step Wall: 3198.26, 0.00298564/step, 3.25269 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: 1078000 726.7220 2099.3840 1984.1055 117.3999 -206708.0419 18081.1438 0.0000 0.0000 34334.4989 -149364.7878 299.8517 -183699.2867 -149267.5130 298.5991 73.3446 105.1104 557013.3617 11.3506 11.5498 PRESSURE: 1078200 -41.5576 203.508 271.121 203.508 -124.691 52.2944 271.12 52.2934 203.604 GPRESSURE: 1078200 -35.648 260.795 243.345 257.299 -43.9768 38.9204 240.517 66.8313 221.476 PRESSAVG: 1078200 -13.1243 44.3314 2.58541 44.3315 -6.36123 -45.0636 2.58548 -45.0637 11.2811 GPRESSAVG: 1078200 -12.8943 46.2415 2.78163 43.3545 -5.47031 -44.6307 2.17412 -45.9374 10.615 TIMING: 1078200 CPU: 3198.86, 0.00299224/step Wall: 3198.86, 0.00299224/step, 3.25972 hours remaining, 206.707031 MB of memory in use. ENERGY: 1078200 775.5091 2105.8664 1956.9743 98.0528 -206403.9869 17967.0255 0.0000 0.0000 34426.4435 -149074.1152 300.6547 -183500.5587 -148977.0461 299.3738 12.4517 47.2838 558387.4413 -2.7348 -2.5832 PRESSURE: 1078400 -172.477 172.003 29.6982 172.003 -172.259 36.8297 29.6967 36.8317 -303.907 GPRESSURE: 1078400 -166.503 112.813 171.608 180.56 -154.128 66.4122 -88.0934 54.383 -228.343 PRESSAVG: 1078400 -11.0049 -47.5663 15.3995 -47.5664 20.3983 31.4971 15.3994 31.4971 15.9359 GPRESSAVG: 1078400 -10.6863 -49.4115 15.6599 -45.66 20.9041 32.6382 13.7909 30.1498 15.3279 TIMING: 1078400 CPU: 3199.46, 0.00298296/step Wall: 3199.46, 0.00298296/step, 3.24944 hours remaining, 206.707031 MB of memory in use. ENERGY: 1078400 746.5991 2136.4125 1924.8999 105.1315 -205778.9713 17452.7453 0.0000 0.0000 34157.2998 -149255.8833 298.3042 -183413.1831 -149160.4080 299.7026 -216.2144 -182.9912 557651.3209 8.4431 8.5152 PRESSURE: 1078600 -123.495 -132.38 -4.5697 -132.38 49.1628 52.4103 -4.56922 52.411 99.7401 GPRESSURE: 1078600 -90.4183 -159.564 -5.43862 -159.118 104.546 95.6868 -20.0598 15.8418 108.471 PRESSAVG: 1078600 2.58282 -22.9284 -5.7687 -22.9284 15.4225 -15.4816 -5.76865 -15.4816 -0.817687 GPRESSAVG: 1078600 2.24947 -22.4718 -5.36065 -23.4957 15.0891 -16.8152 -4.39857 -13.8205 -0.0608907 TIMING: 1078600 CPU: 3200.06, 0.00297815/step Wall: 3200.06, 0.00297815/step, 3.24403 hours remaining, 206.707031 MB of memory in use. ENERGY: 1078600 770.3072 2075.3218 1943.0701 101.4332 -206098.5446 17716.1119 0.0000 0.0000 34317.9529 -149174.3475 299.7072 -183492.3004 -149071.1614 299.3483 8.4693 40.8661 556597.7361 5.7292 5.7592 PRESSURE: 1078800 -208.212 184.056 -66.4086 184.055 100.522 35.2687 -66.4076 35.2696 -78.3422 GPRESSURE: 1078800 -160.191 158.061 -64.9191 195.236 102.55 -21.0254 -44.4918 29.2535 -21.0751 PRESSAVG: 1078800 9.87056 -17.4504 -33.858 -17.4504 25.8995 2.09256 -33.8581 2.09242 13.8204 GPRESSAVG: 1078800 10.8928 -14.916 -34.6224 -18.3144 25.603 2.13822 -33.7033 1.03562 12.6373 TIMING: 1078800 CPU: 3200.65, 0.00298715/step Wall: 3200.65, 0.00298715/step, 3.25367 hours remaining, 206.707031 MB of memory in use. ENERGY: 1078800 791.8589 2033.9697 1937.9904 110.5243 -206372.4178 17894.9524 0.0000 0.0000 34314.2233 -149288.8989 299.6746 -183603.1222 -149191.9048 300.0363 -62.0108 -26.2390 556862.8122 16.5302 16.3777 PRESSURE: 1079000 -63.5078 67.0581 201.77 67.0569 -75.692 108.937 201.77 108.938 -32.3411 GPRESSURE: 1079000 -32.6077 -18.033 232.99 103.35 -26.9738 138.269 239.513 32.5821 -13.5853 PRESSAVG: 1079000 -19.5301 -1.26554 46.0517 -1.26553 16.7105 -1.84328 46.0517 -1.84321 -17.1144 GPRESSAVG: 1079000 -21.0988 -4.63696 47.1114 -0.304192 17.3158 0.429911 46.2465 -4.03492 -16.0229 TIMING: 1079000 CPU: 3201.25, 0.00300037/step Wall: 3201.25, 0.00300037/step, 3.2679 hours remaining, 206.707031 MB of memory in use. ENERGY: 1079000 747.7860 2062.7728 1945.7111 109.0737 -206284.2734 17688.1171 0.0000 0.0000 34455.1781 -149275.6346 300.9056 -183730.8127 -149173.8258 299.1286 -57.1803 -24.3889 556882.1349 -6.6446 -6.6020 PRESSURE: 1079200 -226.216 -29.9115 40.1385 -29.9108 86.2602 -152.686 40.138 -152.686 -341.771 GPRESSURE: 1079200 -168.72 7.18207 -29.84 -37.6331 136.106 -140.177 103.832 -98.6834 -364.278 PRESSAVG: 1079200 -0.536941 -29.5846 51.6016 -29.5846 -31.7842 16.4058 51.6014 16.4058 16.8164 GPRESSAVG: 1079200 -0.690456 -27.1733 51.1148 -30.2899 -31.8903 13.8121 50.6474 18.9625 16.9158 TIMING: 1079200 CPU: 3201.85, 0.00299149/step Wall: 3201.85, 0.00299149/step, 3.25806 hours remaining, 206.707031 MB of memory in use. ENERGY: 1079200 740.9368 2108.0803 1932.7749 111.1561 -205952.5310 17610.1809 0.0000 0.0000 34179.2113 -149270.1907 298.4956 -183449.4020 -149174.3291 299.2152 -160.5758 -132.2971 558022.2735 -5.1682 -5.2217 PRESSURE: 1079400 30.536 -7.56447 -90.0073 -7.56515 -116.516 111.035 -90.0061 111.036 -228.684 GPRESSURE: 1079400 9.29645 -34.1866 -73.2061 79.2157 -107.625 109.049 -71.4324 103.712 -111.563 PRESSAVG: 1079400 9.3532 -4.49595 -26.8059 -4.49584 -17.3434 -0.671526 -26.8058 -0.671567 9.66034 GPRESSAVG: 1079400 10.0179 -6.24893 -24.6411 -2.67071 -18.8171 -1.00053 -25.9929 -0.451066 10.4281 TIMING: 1079400 CPU: 3202.45, 0.00299632/step Wall: 3202.45, 0.00299632/step, 3.26316 hours remaining, 206.707031 MB of memory in use. ENERGY: 1079400 705.3044 2093.5534 1952.1809 114.3424 -206260.1021 17729.1747 0.0000 0.0000 34473.4397 -149192.1065 301.0651 -183665.5463 -149094.8131 299.4911 -104.8880 -69.9639 557792.4545 0.5567 0.5429 PRESSURE: 1079600 -176.736 -97.7878 64.6869 -97.7892 -172.929 -20.3019 64.6859 -20.3022 7.54436 GPRESSURE: 1079600 -110.095 -40.7363 48.532 -108.539 -155.853 61.2929 34.81 -35.5745 31.5626 PRESSAVG: 1079600 23.2162 -58.5587 8.26342 -58.5588 13.2748 7.45374 8.26346 7.45353 -26.2622 GPRESSAVG: 1079600 23.4731 -57.1233 6.65749 -61.0534 13.4759 9.68321 7.74029 5.84323 -26.5276 TIMING: 1079600 CPU: 3203.06, 0.00303632/step Wall: 3203.06, 0.00303632/step, 3.30655 hours remaining, 206.707031 MB of memory in use. ENERGY: 1079600 722.9615 2068.8278 1909.0446 99.0094 -206106.1914 17750.6424 0.0000 0.0000 34341.3522 -149214.3533 299.9116 -183555.7056 -149113.3349 299.6098 -114.0405 -78.1283 558920.4251 3.4096 3.4738 PRESSURE: 1079800 133.897 20.7139 93.6719 20.7132 102.299 -57.1741 93.6714 -57.174 -58.5071 GPRESSURE: 1079800 151.235 27.5881 54.5296 11.2794 195.81 -15.3111 132.452 57.0901 -71.7343 PRESSAVG: 1079800 9.73364 -26.0801 36.3899 -26.08 -35.2224 10.1716 36.3899 10.1716 18.2003 GPRESSAVG: 1079800 9.71287 -26.0605 35.222 -24.6238 -34.3028 9.49919 38.0296 11.6073 17.4414 TIMING: 1079800 CPU: 3203.67, 0.00303921/step Wall: 3203.67, 0.00303921/step, 3.30953 hours remaining, 206.707031 MB of memory in use. ENERGY: 1079800 757.6907 2077.4458 1937.1478 113.4485 -206328.9561 17951.5090 0.0000 0.0000 34336.7160 -149154.9982 299.8711 -183491.7142 -149058.3298 299.2830 59.2294 91.7703 557393.2456 -2.4295 -2.3828 PRESSURE: 1080000 388.28 51.3636 -34.0795 51.364 -96.2601 162.159 -34.0786 162.158 269.103 GPRESSURE: 1080000 404.887 65.8058 11.5955 60.6593 -13.76 174.731 -158.196 110.495 271.387 PRESSAVG: 1080000 34.0817 11.6557 -15.8788 11.6556 22.2258 34.9475 -15.8788 34.9474 -11.1674 GPRESSAVG: 1080000 33.316 9.03752 -13.2811 10.4311 21.8063 31.7209 -18.3769 34.7983 -10.0914 TIMING: 1080000 CPU: 3204.27, 0.00304534/step Wall: 3204.27, 0.00304534/step, 3.31604 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: 1080000 757.6779 2110.0958 1936.1886 127.8057 -206735.0225 18298.3062 0.0000 0.0000 34349.2673 -149155.6810 299.9807 -183504.9483 -149063.9850 299.5518 187.0410 220.8380 557862.4133 15.0467 15.0103 PRESSURE: 1080200 -182.933 128.932 219.375 128.932 23.2433 57.1036 219.375 57.1035 -232.924 GPRESSURE: 1080200 -146.714 142.96 150.303 101.952 105.698 36.0204 244.164 121.116 -250.723 PRESSAVG: 1080200 48.9993 16.7227 18.6233 16.7229 -3.67204 -78.4206 18.6233 -78.4206 3.04376 GPRESSAVG: 1080200 49.33 17.4093 15.7575 18.2848 -3.36795 -74.5119 20.4276 -77.245 2.56965 TIMING: 1080200 CPU: 3204.88, 0.00303637/step Wall: 3204.88, 0.00303637/step, 3.3061 hours remaining, 206.707031 MB of memory in use. ENERGY: 1080200 730.1216 2168.5218 1941.3082 109.1804 -205971.7204 17672.4273 0.0000 0.0000 34280.8039 -149069.3571 299.3828 -183350.1610 -148974.2881 298.9204 -130.8710 -97.2462 558952.8610 16.1237 16.1772 LDB: ============= START OF LOAD BALANCING ============== 3208.31 LDB: ============== END OF LOAD BALANCING =============== 3208.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3208.31 LDB: ============= START OF LOAD BALANCING ============== 3208.61 LDB: Largest compute 4821 load 0.028504 is 24.2% of average load 0.117944 LDB: Average compute 0.001717 is 1.5% of average load 0.117944 LDB: TIME 3208.62 LOAD: AVG 0.117944 MAX 0.196694 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.562 MB LDB: TIME 3208.62 LOAD: AVG 0.117944 MAX 0.196694 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: TIME 3208.62 LOAD: AVG 0.117944 MAX 0.196694 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.562 MB LDB: ============== END OF LOAD BALANCING =============== 3208.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3208.62 PRESSURE: 1080400 108.576 47.4676 -112.983 47.4682 -166.397 -42.615 -112.982 -42.6151 -47.9222 GPRESSURE: 1080400 123.488 96.1778 -56.0236 86.3145 -105.047 -79.5753 -120.256 -22.2144 -41.095 PRESSAVG: 1080400 -13.4656 -3.58359 24.5124 -3.58372 26.0993 6.06825 24.5126 6.06824 -49.8049 GPRESSAVG: 1080400 -13.7134 -2.43962 27.0492 -5.02646 25.1253 6.11302 25.1788 5.67281 -48.9405 TIMING: 1080400 CPU: 3205.49, 0.00305849/step Wall: 3205.49, 0.00305849/step, 3.33001 hours remaining, 205.011719 MB of memory in use. ENERGY: 1080400 767.0119 2133.6011 1940.2479 120.5117 -206272.8905 17964.5233 0.0000 0.0000 34275.1709 -149071.8238 299.3336 -183346.9947 -148985.5466 299.2408 -35.2477 -7.5512 558296.2084 -12.3904 -12.5095 PRESSURE: 1080600 -145.041 57.1031 90.2177 57.1037 -145.687 -96.5277 90.2177 -96.5281 -318.785 GPRESSURE: 1080600 -140.893 68.8871 73.2697 5.39483 -85.6941 -80.7088 126.474 -136.241 -300.333 PRESSAVG: 1080600 -17.9624 17.3888 13.308 17.3888 96.8741 7.95802 13.3079 7.95788 -70.1041 GPRESSAVG: 1080600 -16.4361 18.0861 12.4825 16.8658 96.459 6.68491 11.8909 8.86668 -71.1477 TIMING: 1080600 CPU: 3206.1, 0.00302728/step Wall: 3206.1, 0.00302728/step, 3.29587 hours remaining, 205.011719 MB of memory in use. ENERGY: 1080600 770.5299 2034.1146 1938.3275 110.4675 -205655.8819 17431.3388 0.0000 0.0000 34157.3998 -149213.7040 298.3051 -183371.1037 -149112.8125 299.5628 -203.1711 -175.6399 558655.8703 2.9359 2.9584 PRESSURE: 1080800 -163.358 -32.2711 -24.3492 -32.2704 257.623 -18.9908 -24.349 -18.9906 -81.7549 GPRESSURE: 1080800 -125.242 -63.4012 11.4988 -64.7649 275.414 -0.207903 30.6401 0.49635 -57.6879 PRESSAVG: 1080800 -14.5014 -33.8439 21.8439 -33.8439 43.9394 -10.1017 21.844 -10.1016 0.0368038 GPRESSAVG: 1080800 -16.4702 -34.6532 22.191 -34.6209 43.3641 -8.71635 21.6066 -11.7053 2.19451 TIMING: 1080800 CPU: 3206.71, 0.00305657/step Wall: 3206.71, 0.00305657/step, 3.32759 hours remaining, 205.011719 MB of memory in use. ENERGY: 1080800 748.5989 2140.0185 1920.9834 109.0640 -205879.5314 17692.8229 0.0000 0.0000 34109.3926 -149158.6511 297.8858 -183268.0436 -149058.3848 299.5963 4.1700 30.8279 557508.2897 9.8250 9.6962 PRESSURE: 1081000 -177.634 -111.707 -122.652 -111.707 122.587 7.62217 -122.653 7.62413 87.3768 GPRESSURE: 1081000 -69.2628 -160.693 -217.018 -192.306 134.506 34.1685 -126.374 34.1978 79.7239 PRESSAVG: 1081000 -9.7935 -17.4108 -9.82379 -17.4108 -31.2271 12.6908 -9.82383 12.6907 34.6738 GPRESSAVG: 1081000 -9.6552 -18.0477 -11.5284 -15.6605 -29.9793 12.9434 -9.2357 10.2269 33.5857 TIMING: 1081000 CPU: 3207.31, 0.00301786/step Wall: 3207.31, 0.00301786/step, 3.28528 hours remaining, 205.011719 MB of memory in use. ENERGY: 1081000 761.4884 2069.4504 1912.2566 105.7967 -206109.5354 17700.0080 0.0000 0.0000 34353.1047 -149207.4306 300.0142 -183560.5353 -149104.6845 299.1296 10.7764 48.3222 555638.5658 -2.1156 -2.0163 PRESSURE: 1081200 -88.7914 -83.6436 68.1514 -83.6439 -30.6766 -54.1538 68.1521 -54.1526 -214.375 GPRESSURE: 1081200 -56.4464 -88.8294 12.8691 -109.469 24.1765 -170.822 110.92 57.0793 -196.281 PRESSAVG: 1081200 55.0314 -42.0274 46.9156 -42.0275 -2.72025 -25.6183 46.9156 -25.6184 -34.8476 GPRESSAVG: 1081200 56.0845 -41.6695 46.5637 -40.6752 -3.49416 -28.8953 48.3886 -22.5629 -35.9302 TIMING: 1081200 CPU: 3207.91, 0.00299685/step Wall: 3207.91, 0.00299685/step, 3.26223 hours remaining, 205.011719 MB of memory in use. ENERGY: 1081200 726.4210 2089.5013 1925.1621 107.1628 -206232.3624 17664.1224 0.0000 0.0000 34515.8484 -149204.1445 301.4355 -183719.9929 -149106.3559 299.6307 -111.2809 -76.1835 555758.6253 5.8212 5.5534 PRESSURE: 1081400 114.961 48.6035 30.645 48.6035 -220.866 70.8513 30.6462 70.8499 -63.8678 GPRESSURE: 1081400 109.755 71.6334 -32.5094 71.1415 -185.048 119.664 20.5749 -25.8514 -4.88781 PRESSAVG: 1081400 -25.4527 -18.7093 14.9902 -18.7093 -17.6693 -18.7537 14.9901 -18.7536 28.2943 GPRESSAVG: 1081400 -27.2759 -16.0683 15.6773 -20.5803 -17.1637 -16.8683 14.2672 -18.9064 29.3585 TIMING: 1081400 CPU: 3208.51, 0.00300949/step Wall: 3208.51, 0.00300949/step, 3.27583 hours remaining, 205.011719 MB of memory in use. ENERGY: 1081400 768.3660 2105.6288 1932.3298 106.9465 -206299.0177 17681.4924 0.0000 0.0000 34475.9571 -149228.2972 301.0871 -183704.2543 -149128.5578 299.8428 -56.5911 -26.7267 556703.3022 -4.9426 -5.0270 PRESSURE: 1081600 -165.395 -81.0723 46.3518 -81.0728 -95.4343 64.2101 46.3512 64.2086 -286.14 GPRESSURE: 1081600 -186.406 -165.43 77.6657 -39.8095 -61.7201 65.1228 21.3433 14.5853 -212.102 PRESSAVG: 1081600 80.3122 6.74623 7.21092 6.74625 -74.4689 13.5573 7.21089 13.5574 -25.1549 GPRESSAVG: 1081600 81.4611 3.64528 6.57441 6.95656 -74.1302 12.0829 5.59682 11.8782 -26.5435 TIMING: 1081600 CPU: 3209.12, 0.00302629/step Wall: 3209.12, 0.00302629/step, 3.29394 hours remaining, 205.011719 MB of memory in use. ENERGY: 1081600 774.7744 2091.6249 1916.3218 92.9864 -206096.4238 17627.0218 0.0000 0.0000 34525.3688 -149068.3257 301.5186 -183593.6945 -148976.4655 300.1529 -182.3233 -153.4092 557360.3603 -6.4372 -6.4042 PRESSURE: 1081800 130.261 51.5606 -11.5629 51.561 -90.8473 118.371 -11.5626 118.371 46.239 GPRESSURE: 1081800 154.382 73.0121 -11.822 18.7487 -115.718 103.702 -56.6442 137.078 129.556 PRESSAVG: 1081800 67.6025 17.5815 28.1352 17.5814 -45.1457 -34.3405 28.1352 -34.3406 -29.0841 GPRESSAVG: 1081800 68.4964 16.0943 30.7658 17.722 -47.63 -33.9111 28.5588 -31.9611 -27.7592 TIMING: 1081800 CPU: 3209.72, 0.00299195/step Wall: 3209.72, 0.00299195/step, 3.2564 hours remaining, 205.011719 MB of memory in use. ENERGY: 1081800 764.4082 2127.0754 1935.0607 109.9690 -206237.4105 17973.0572 0.0000 0.0000 34253.5003 -149074.3397 299.1443 -183327.8400 -148980.2384 299.7298 28.5508 56.0734 557631.4643 -2.2091 -2.2976 PRESSURE: 1082000 -135.392 -78.8985 -37.4245 -78.8998 -184.754 -70.196 -37.4235 -70.1964 -222.792 GPRESSURE: 1082000 -60.5809 -92.111 -44.7787 -44.4927 -169.752 -50.4162 -44.097 -18.6774 -209.351 PRESSAVG: 1082000 71.3007 -30.4597 43.4978 -30.4596 -56.7051 25.852 43.4978 25.8521 -19.3594 GPRESSAVG: 1082000 69.6865 -29.4291 41.1607 -30.9457 -56.373 27.2771 43.8362 25.5297 -18.4029 TIMING: 1082000 CPU: 3210.32, 0.00300894/step Wall: 3210.32, 0.00300894/step, 3.27473 hours remaining, 205.011719 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: 1082000 771.9770 2105.1588 1951.3283 104.9583 -205715.8236 17506.2623 0.0000 0.0000 34448.5327 -148827.6062 300.8476 -183276.1389 -148734.8663 299.9502 -180.9790 -146.5615 558883.2658 -1.5879 -1.6965 PRESSURE: 1082200 58.0365 -2.69925 -33.6107 -2.69952 -120.237 -333.023 -33.6098 -333.023 89.6083 GPRESSURE: 1082200 96.4031 -102.319 -72.9732 -54.1745 -54.7714 -315.424 21.3814 -356.363 83.9851 PRESSAVG: 1082200 -13.0961 -2.0225 2.31965 -2.02255 -17.2737 -57.566 2.31964 -57.5661 46.4729 GPRESSAVG: 1082200 -13.6451 -1.54986 1.43447 -2.90007 -15.7729 -57.7985 4.72671 -60.7234 45.2152 TIMING: 1082200 CPU: 3210.92, 0.00300006/step Wall: 3210.92, 0.00300006/step, 3.2649 hours remaining, 205.011719 MB of memory in use. ENERGY: 1082200 743.8079 2098.1774 1944.8629 124.4096 -206335.6141 17949.4011 0.0000 0.0000 34564.3574 -148910.5978 301.8591 -183474.9552 -148809.4475 301.0468 9.1358 41.8723 558078.1045 5.3677 5.2657 PRESSURE: 1082400 195.568 67.7599 153.305 67.7599 -216.046 43.1833 153.304 43.1839 -350.105 GPRESSURE: 1082400 157.862 69.9055 156.614 106.641 -114.591 -10.6501 155.841 82.2575 -304.834 PRESSAVG: 1082400 7.82014 33.1857 47.1671 33.1857 -10.6906 8.0348 47.1671 8.03488 31.2097 GPRESSAVG: 1082400 8.10361 33.6878 48.356 34.6425 -10.6053 7.11961 46.0125 8.10471 30.8932 TIMING: 1082400 CPU: 3211.52, 0.00301637/step Wall: 3211.52, 0.00301637/step, 3.28248 hours remaining, 205.011719 MB of memory in use. ENERGY: 1082400 754.5124 2137.9856 1961.9763 120.9233 -206233.9615 17695.8436 0.0000 0.0000 34465.6681 -149097.0521 300.9973 -183562.7202 -149002.0116 300.7403 -123.5277 -87.1878 558699.3786 9.4464 9.4638 PRESSURE: 1082600 7.22657 42.4743 -53.9993 42.475 304.283 87.7029 -54.0002 87.7021 -58.8334 GPRESSURE: 1082600 62.109 -20.9177 27.677 27.2288 345.488 22.7561 -63.1415 108.556 -56.1537 PRESSAVG: 1082600 16.3833 -56.5988 -1.88609 -56.5989 68.3944 47.7602 -1.88606 47.7601 -76.2946 GPRESSAVG: 1082600 17.508 -55.665 -4.09652 -56.3293 67.5434 48.2315 -0.66882 49.2727 -76.8667 TIMING: 1082600 CPU: 3212.12, 0.00298741/step Wall: 3212.12, 0.00298741/step, 3.2508 hours remaining, 205.011719 MB of memory in use. ENERGY: 1082600 732.1807 2182.5985 1916.1281 114.4309 -206312.5885 18119.7374 0.0000 0.0000 34268.1000 -148979.4130 299.2718 -183247.5129 -148882.3442 300.2057 84.2254 117.1476 558059.8574 2.8277 2.7282 PRESSURE: 1082800 -202.668 0.679388 43.3115 0.67791 49.5957 100.251 43.311 100.251 58.0679 GPRESSURE: 1082800 -193.775 1.86702 62.0796 77.9634 110.243 81.7639 84.9819 130.76 78.1255 PRESSAVG: 1082800 82.9427 2.82119 44.5856 2.82122 -17.0336 39.9328 44.5855 39.9327 -55.6447 GPRESSAVG: 1082800 83.1079 0.646435 46.1679 4.40205 -17.8596 40.6009 43.4368 39.643 -55.0912 TIMING: 1082800 CPU: 3212.72, 0.00300492/step Wall: 3212.72, 0.00300492/step, 3.26968 hours remaining, 205.011719 MB of memory in use. ENERGY: 1082800 757.5309 2119.2746 1911.1099 113.3625 -205773.1763 17797.7900 0.0000 0.0000 34284.7104 -148789.3979 299.4169 -183074.1083 -148688.9020 299.9486 -31.6681 -1.8023 559488.6516 3.4215 3.3857 PRESSURE: 1083000 -244.853 -34.5609 -79.7171 -34.5608 -104.574 52.3323 -79.7162 52.3326 -111.483 GPRESSURE: 1083000 -196.008 -6.13438 -151.382 -72.7693 -83.3977 45.4109 -6.20619 35.405 -93.8858 PRESSAVG: 1083000 23.2374 -23.9194 32.0847 -23.9195 29.711 25.5935 32.0846 25.5934 -53.7181 GPRESSAVG: 1083000 21.9076 -23.6258 33.4615 -25.722 31.3242 23.6674 30.8699 26.9074 -53.8275 TIMING: 1083000 CPU: 3213.32, 0.002987/step Wall: 3213.32, 0.002987/step, 3.25002 hours remaining, 205.011719 MB of memory in use. ENERGY: 1083000 753.3351 2111.8838 1931.9445 118.4758 -205327.3714 17465.4287 0.0000 0.0000 34321.3920 -148624.9115 299.7373 -182946.3035 -148527.8263 300.4889 -153.6368 -124.4307 560395.2784 -0.2566 -0.1986 PRESSURE: 1083200 -220.081 -182.966 -100.889 -182.966 -227.23 -51.9441 -100.889 -51.9427 -73.2976 GPRESSURE: 1083200 -184.779 -198.272 -90.6487 -174.933 -170.382 5.2915 -52.873 -103.138 -70.7233 PRESSAVG: 1083200 23.8001 -47.4522 -30.2286 -47.4521 30.8584 50.1778 -30.2286 50.1776 -36.4749 GPRESSAVG: 1083200 24.7384 -47.9073 -31.59 -49.3132 30.4418 52.5146 -29.2067 49.5694 -36.1098 TIMING: 1083200 CPU: 3213.93, 0.00302871/step Wall: 3213.93, 0.00302871/step, 3.29523 hours remaining, 205.011719 MB of memory in use. ENERGY: 1083200 708.4148 2110.0487 1934.2481 118.2264 -205587.4047 17577.6438 0.0000 0.0000 34395.9767 -148742.8462 300.3886 -183138.8229 -148649.0741 300.8395 -173.5362 -141.9613 560117.9485 6.0612 6.3568 PRESSURE: 1083400 -141.473 138.271 -23.4663 138.271 -13.082 -44.33 -23.466 -44.3301 -277.42 GPRESSURE: 1083400 -111.026 201.85 -66.0277 69.2444 29.8616 -25.467 -70.5907 -86.3722 -252.968 PRESSAVG: 1083400 -10.4661 -2.49893 16.5066 -2.49894 -3.61929 21.6766 16.5067 21.6767 24.7262 GPRESSAVG: 1083400 -10.1088 -2.08104 15.6551 -1.7015 -4.69199 19.3947 16.6866 21.9632 26.1853 TIMING: 1083400 CPU: 3214.53, 0.00300562/step Wall: 3214.53, 0.00300562/step, 3.26995 hours remaining, 205.011719 MB of memory in use. ENERGY: 1083400 753.8661 2110.4072 1919.8900 111.7774 -205552.9683 17405.6732 0.0000 0.0000 34602.8292 -148648.5252 302.1951 -183251.3543 -148551.0724 300.7176 -143.9917 -111.3773 557066.6301 3.5470 3.7948 PRESSURE: 1083600 43.9238 87.1998 22.9789 87.1992 -147.832 4.4501 22.9783 4.44922 123.637 GPRESSURE: 1083600 56.9031 98.319 102.53 17.1591 -90.4238 52.6778 15.3868 -17.4259 148.128 PRESSAVG: 1083600 -39.5472 33.9437 26.4744 33.9438 -28.8536 15.1221 26.4745 15.1221 86.5091 GPRESSAVG: 1083600 -40.7831 31.5842 27.9354 34.6901 -27.5457 14.969 26.1982 17.7217 86.272 TIMING: 1083600 CPU: 3215.13, 0.00299894/step Wall: 3215.13, 0.00299894/step, 3.26251 hours remaining, 205.011719 MB of memory in use. ENERGY: 1083600 742.6566 2080.7130 1933.0225 109.1856 -206004.1140 17785.0517 0.0000 0.0000 34649.7848 -148703.6998 302.6052 -183353.4846 -148603.1788 300.4181 6.5760 38.2024 558378.2460 6.0361 5.9811 PRESSURE: 1083800 -87.0434 -30.4211 -76.1585 -30.4199 212.77 35.4872 -76.1582 35.4867 158.928 GPRESSURE: 1083800 -77.942 49.2769 -110.112 -79.0488 271.223 46.0691 -16.8178 77.4598 188.242 PRESSAVG: 1083800 -33.5933 -11.6728 -2.00778 -11.6728 42.0887 3.96808 -2.00789 3.96795 32.9177 GPRESSAVG: 1083800 -32.6092 -10.0275 -3.50428 -12.2903 42.6852 5.24961 -2.1627 0.612311 31.5834 TIMING: 1083800 CPU: 3215.73, 0.00302247/step Wall: 3215.73, 0.00302247/step, 3.28794 hours remaining, 205.011719 MB of memory in use. ENERGY: 1083800 709.5329 2092.2172 1953.8171 105.2834 -206199.0381 18009.2455 0.0000 0.0000 34379.7955 -148949.1465 300.2473 -183328.9420 -148852.1825 299.8289 94.8849 127.1745 557845.1252 13.8044 13.8865 PRESSURE: 1084000 171.89 -58.5192 -83.2115 -58.5188 63.7203 -13.5697 -83.2122 -13.5695 85.4434 GPRESSURE: 1084000 183.326 -21.3689 -90.548 -17.6387 58.6582 39.8439 -112.23 -53.5294 161.539 PRESSAVG: 1084000 37.7475 16.2252 27.8984 16.2251 -62.1171 -4.66521 27.8983 -4.66533 9.55007 GPRESSAVG: 1084000 37.6644 14.3908 29.9173 18.4695 -62.4967 -2.72681 27.1127 -6.38848 9.72252 TIMING: 1084000 CPU: 3216.33, 0.00300789/step Wall: 3216.33, 0.00300789/step, 3.27192 hours remaining, 205.011719 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: 1084000 749.9895 2119.1156 1916.0549 115.3260 -205843.1507 17940.0639 0.0000 0.0000 34143.4991 -148859.1016 298.1837 -183002.6007 -148761.6957 300.4840 107.0178 134.5080 559335.0150 -4.9398 -5.0366 PRESSURE: 1084200 68.2693 78.3099 -98.6355 78.3094 -204.041 -243.452 -98.6348 -243.453 -113.152 GPRESSURE: 1084200 120.045 55.1999 -95.4344 83.7684 -164.19 -243.168 -108.826 -200.257 -100.716 PRESSAVG: 1084200 -53.1655 -7.38438 7.3462 -7.38439 18.7175 -2.04293 7.34619 -2.04294 46.7571 GPRESSAVG: 1084200 -52.648 -3.96199 4.87205 -10.6647 18.8992 -4.13027 7.11038 1.34252 46.6875 TIMING: 1084200 CPU: 3216.94, 0.00301706/step Wall: 3216.94, 0.00301706/step, 3.28172 hours remaining, 205.011719 MB of memory in use. ENERGY: 1084200 763.3937 2062.7069 1936.5721 116.7981 -205839.6993 17893.1709 0.0000 0.0000 34291.3838 -148775.6738 299.4752 -183067.0575 -148671.0454 300.3953 -82.9745 -48.2872 559902.9288 4.1030 4.3129 LDB: ============= START OF LOAD BALANCING ============== 3220.37 LDB: ============== END OF LOAD BALANCING =============== 3220.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3220.37 LDB: ============= START OF LOAD BALANCING ============== 3220.67 LDB: Largest compute 4821 load 0.030194 is 25.6% of average load 0.117887 LDB: Average compute 0.001720 is 1.5% of average load 0.117887 LDB: TIME 3220.67 LOAD: AVG 0.117887 MAX 0.198001 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.523 MB LDB: TIME 3220.67 LOAD: AVG 0.117887 MAX 0.198001 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.523 MB LDB: TIME 3220.67 LOAD: AVG 0.117887 MAX 0.198001 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3220.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3220.68 PRESSURE: 1084400 208.682 32.6701 98.692 32.6707 104.903 108.656 98.6928 108.658 -47.5881 GPRESSURE: 1084400 202.237 36.5603 167.913 -9.1236 109.248 88.3719 126.966 3.86676 56.5699 PRESSAVG: 1084400 -69.4652 -11.0787 -15.3632 -11.0787 18.2504 21.1366 -15.3633 21.1367 59.4837 GPRESSAVG: 1084400 -70.4235 -12.5527 -14.624 -11.1567 17.8393 21.366 -14.652 19.4279 60.8525 TIMING: 1084400 CPU: 3217.55, 0.00306875/step Wall: 3217.55, 0.00306875/step, 3.33778 hours remaining, 207.261719 MB of memory in use. ENERGY: 1084400 742.7210 2129.5247 1928.5432 108.2758 -206116.9094 18115.6079 0.0000 0.0000 34514.9850 -148577.2519 301.4279 -183092.2369 -148485.7138 300.5425 88.6655 122.6852 558711.2082 2.7563 2.7561 PRESSURE: 1084600 21.1162 -22.4667 -19.6072 -22.4664 -10.3768 -121.487 -19.6067 -121.489 4.67477 GPRESSURE: 1084600 62.3321 10.852 -158.351 -63.814 10.4804 -101.014 -21.4744 -123.575 43.6912 PRESSAVG: 1084600 -73.013 -25.3099 38.4302 -25.31 -27.0464 -50.2348 38.4302 -50.2347 100.341 GPRESSAVG: 1084600 -72.3906 -25.8827 36.808 -24.7413 -26.8485 -49.9139 39.7194 -48.6628 99.1659 TIMING: 1084600 CPU: 3218.15, 0.0029918/step Wall: 3218.15, 0.00299181/step, 3.25392 hours remaining, 207.332031 MB of memory in use. ENERGY: 1084600 778.2012 2162.4724 1935.3410 111.9234 -205798.9134 17790.6254 0.0000 0.0000 34357.2262 -148663.1237 300.0502 -183020.3499 -148566.3469 300.5988 5.1381 38.8346 558518.6350 0.0937 -0.0244 PRESSURE: 1084800 290.515 -28.7276 247.338 -28.7279 -82.6046 -79.8974 247.339 -79.8967 158.71 GPRESSURE: 1084800 296.53 -107.538 294.835 -29.6311 28.4788 -55.3227 269.335 -72.0575 138.298 PRESSAVG: 1084800 46.9581 25.2955 45.3916 25.2955 -30.8159 -48.988 45.3917 -48.988 11.2061 GPRESSAVG: 1084800 46.2655 23.1659 48.7965 25.3585 -30.4131 -50.131 42.8598 -48.66 10.9336 TIMING: 1084800 CPU: 3218.75, 0.00300413/step Wall: 3218.75, 0.00300413/step, 3.26716 hours remaining, 207.332031 MB of memory in use. ENERGY: 1084800 767.9227 2104.3295 1931.6018 107.6057 -205761.9833 17822.5878 0.0000 0.0000 34328.4995 -148699.4362 299.7993 -183027.9357 -148604.0051 300.2750 122.2069 154.4357 558165.3652 9.1161 8.9286 PRESSURE: 1085000 62.2388 -167.999 160.905 -167.999 3.72284 46.1186 160.906 46.1205 -26.0537 GPRESSURE: 1085000 84.6481 -225.497 94.5743 -142.108 64.5979 78.9868 131.653 10.5518 -14.3657 PRESSAVG: 1085000 67.378 -126.913 91.5058 -126.913 -40.8872 -75.8196 91.5057 -75.8197 -9.98829 GPRESSAVG: 1085000 66.8713 -124.678 90.1217 -126.353 -41.3312 -74.6718 89.8159 -78.1384 -8.9584 TIMING: 1085000 CPU: 3219.35, 0.00299338/step Wall: 3219.35, 0.00299338/step, 3.2553 hours remaining, 207.332031 MB of memory in use. ENERGY: 1085000 790.4881 2060.2880 1951.0118 113.8824 -205954.6303 17961.4907 0.0000 0.0000 34364.8208 -148712.6485 300.1165 -183077.4693 -148613.9959 300.6813 13.3026 44.9601 557968.5440 5.5008 5.5273 PRESSURE: 1085200 -85.9402 43.038 -187.588 43.0379 306.48 -46.6989 -187.589 -46.699 69.5713 GPRESSURE: 1085200 -19.7695 82.2961 -226.715 18.1884 260.744 -122.793 -102.935 5.59377 146.261 PRESSAVG: 1085200 44.0526 -13.5015 10.8206 -13.5016 -43.7629 24.9894 10.8207 24.9895 -29.4135 GPRESSAVG: 1085200 46.4067 -15.513 10.7864 -13.4983 -44.6908 22.8805 12.82 26.2968 -30.6811 TIMING: 1085200 CPU: 3219.94, 0.00298248/step Wall: 3219.94, 0.00298248/step, 3.24328 hours remaining, 207.332031 MB of memory in use. ENERGY: 1085200 728.7605 2100.8437 1926.7425 120.7121 -205918.2520 17868.0645 0.0000 0.0000 34404.8249 -148768.3039 300.4659 -183173.1288 -148676.6454 300.2697 96.7037 129.0784 557935.7166 -9.7079 -9.6551 PRESSURE: 1085400 166.03 50.714 66.5253 50.7142 -65.9539 41.8966 66.5251 41.8979 -263.223 GPRESSURE: 1085400 181.52 216.235 91.0714 35.5608 -19.3132 71.2123 103.831 15.9965 -225.172 PRESSAVG: 1085400 45.1373 -39.2814 52.3704 -39.2814 4.99799 59.9845 52.3703 59.9846 -28.1322 GPRESSAVG: 1085400 44.0008 -38.5724 53.8038 -37.9977 6.09556 60.7544 51.7168 59.4165 -28.6229 TIMING: 1085400 CPU: 3220.54, 0.0029985/step Wall: 3220.54, 0.0029985/step, 3.26053 hours remaining, 207.332031 MB of memory in use. ENERGY: 1085400 746.0983 2053.5018 1905.9447 97.1525 -206017.0492 17616.3534 0.0000 0.0000 34710.2905 -148887.7080 303.1336 -183597.9985 -148790.3780 299.9589 -54.3824 -20.9885 557488.6593 7.3343 7.1578 PRESSURE: 1085600 73.6471 -14.509 115.475 -14.5086 138.808 16.4085 115.475 16.4097 38.7973 GPRESSURE: 1085600 91.8048 113.468 101.278 6.93144 215.768 -38.8955 17.8412 124.146 42.6096 PRESSAVG: 1085600 77.8032 42.1319 13.589 42.1319 11.7281 31.6275 13.589 31.6276 -101.405 GPRESSAVG: 1085600 77.7964 42.869 13.6883 39.9812 11.1539 30.9974 13.6803 32.5888 -100.895 TIMING: 1085600 CPU: 3221.15, 0.00303317/step Wall: 3221.15, 0.00303317/step, 3.29806 hours remaining, 207.332031 MB of memory in use. ENERGY: 1085600 750.3521 2117.4141 1916.2085 119.0413 -206099.1903 17994.6260 0.0000 0.0000 34271.0241 -148930.5242 299.2974 -183201.5482 -148829.8895 299.6818 83.7507 116.7275 557336.2562 -3.9581 -3.9816 PRESSURE: 1085800 74.984 -161.199 7.16233 -161.198 386.062 118.114 7.1637 118.113 40.7119 GPRESSURE: 1085800 128.468 -150.633 -33.0088 -80.8402 417.517 207.131 17.4481 25.9567 56.3337 PRESSAVG: 1085800 -29.6664 -16.5898 28.8897 -16.5898 -5.60145 -26.9071 28.8898 -26.9072 36.8142 GPRESSAVG: 1085800 -28.5284 -16.9855 26.772 -15.8496 -6.13468 -27.749 29.7932 -27.4784 36.3106 TIMING: 1085800 CPU: 3221.75, 0.00298228/step Wall: 3221.75, 0.00298228/step, 3.24257 hours remaining, 207.332031 MB of memory in use. ENERGY: 1085800 722.2929 2098.0743 1951.4843 114.6688 -206035.1018 17945.7209 0.0000 0.0000 34086.5915 -149116.2690 297.6867 -183202.8605 -149021.7414 299.6233 167.2527 200.7730 557084.6573 0.5155 0.5492 PRESSURE: 1086000 -142.994 -10.1607 34.5354 -10.161 -23.6343 37.8055 34.5354 37.8063 -174.343 GPRESSURE: 1086000 -99.7206 -1.90332 3.55012 -3.13421 -18.6134 18.4437 13.9648 27.6973 -113.833 PRESSAVG: 1086000 22.8259 -27.5933 0.602219 -27.5933 -9.80676 -2.73443 0.602244 -2.73441 4.99664 GPRESSAVG: 1086000 22.0212 -26.3167 1.94807 -27.4525 -9.39215 0.23864 0.320376 -2.54773 5.72247 TIMING: 1086000 CPU: 3222.35, 0.00300253/step Wall: 3222.35, 0.00300253/step, 3.26442 hours remaining, 207.332031 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: 1086000 718.1415 2129.5613 1935.7776 109.8703 -205930.9100 17654.7006 0.0000 0.0000 34210.4823 -149172.3764 298.7687 -183382.8588 -149078.0332 298.6126 -113.6572 -77.3891 558365.9741 6.0053 6.1172 PRESSURE: 1086200 80.8694 -22.1158 -88.8856 -22.117 247.333 -171.553 -88.8871 -171.552 132.146 GPRESSURE: 1086200 164.428 -21.0757 -117.705 -60.6498 257.844 -94.2888 -97.5721 -201.713 128.292 PRESSAVG: 1086200 16.9883 -40.7327 39.7713 -40.7327 48.6689 -14.5665 39.7713 -14.5665 -7.56596 GPRESSAVG: 1086200 16.2624 -42.056 37.5959 -40.3605 48.9109 -17.046 42.0438 -12.0948 -7.81323 TIMING: 1086200 CPU: 3222.95, 0.00299586/step Wall: 3222.95, 0.00299585/step, 3.25699 hours remaining, 207.332031 MB of memory in use. ENERGY: 1086200 728.0382 2079.4020 1942.7542 113.5754 -206336.9805 18086.0123 0.0000 0.0000 34080.1747 -149307.0236 297.6306 -183387.1983 -149213.1554 298.7565 153.4497 183.5211 558304.0826 19.3638 19.1200 PRESSURE: 1086400 -366.232 -74.3705 -156.49 -74.372 -2.07753 -53.8022 -156.49 -53.8012 -43.6137 GPRESSURE: 1086400 -389.221 -127.386 -176.814 -58.7142 29.809 -114.541 -148.423 -26.8546 44.4666 PRESSAVG: 1086400 -1.74496 -19.5423 -11.2136 -19.5423 25.3692 -17.4511 -11.2136 -17.4512 -31.0962 GPRESSAVG: 1086400 -1.99029 -18.3591 -10.718 -19.8358 25.7732 -17.5178 -13.6643 -19.4221 -31.5385 TIMING: 1086400 CPU: 3223.55, 0.00300935/step Wall: 3223.55, 0.00300935/step, 3.2715 hours remaining, 207.332031 MB of memory in use. ENERGY: 1086400 740.7270 2123.7880 1933.7573 114.0804 -206062.4760 17620.5606 0.0000 0.0000 34260.4398 -149269.1228 299.2049 -183529.5626 -149175.2200 298.6988 -137.3077 -104.9817 557848.3011 -2.4907 -2.5852 PRESSURE: 1086600 130.302 4.4281 8.02299 4.42828 106.027 106.591 8.02346 106.589 198.751 GPRESSURE: 1086600 165.975 -3.63873 -37.6923 25.4454 142.602 132.052 85.9738 90.0726 223.243 PRESSAVG: 1086600 -7.51554 26.7311 1.40036 26.7311 28.0411 -2.89466 1.40035 -2.89468 -5.07306 GPRESSAVG: 1086600 -8.41571 26.33 3.44461 26.2714 27.9057 -3.37706 -0.504062 -1.75903 -4.24151 TIMING: 1086600 CPU: 3224.15, 0.00301531/step Wall: 3224.15, 0.00301531/step, 3.27781 hours remaining, 207.332031 MB of memory in use. ENERGY: 1086600 746.3074 2064.1618 1941.7728 111.1051 -206900.0156 18035.0842 0.0000 0.0000 34515.9099 -149485.6744 301.4360 -184001.5843 -149387.1761 299.1879 145.0262 177.2734 554621.2074 5.1508 5.0828 PRESSURE: 1086800 92.748 52.1693 33.1483 52.17 205.749 154.846 33.1482 154.846 -12.8901 GPRESSURE: 1086800 120.604 -19.2226 105.796 64.1733 233.443 132.547 -51.8422 160.322 23.0013 PRESSAVG: 1086800 -5.40736 -34.8578 -10.0467 -34.8578 29.9059 33.8053 -10.0467 33.8054 -21.7203 GPRESSAVG: 1086800 -4.90713 -37.0525 -9.9572 -35.7268 28.9828 32.9004 -9.01937 33.2435 -21.6183 TIMING: 1086800 CPU: 3224.76, 0.00302738/step Wall: 3224.76, 0.00302738/step, 3.29076 hours remaining, 207.332031 MB of memory in use. ENERGY: 1086800 764.2429 2031.6445 1943.8979 110.1854 -206662.5636 17958.2041 0.0000 0.0000 34504.8078 -149349.5810 301.3391 -183854.3888 -149253.4727 298.8951 95.2022 125.6829 555294.2839 0.9261 0.8191 PRESSURE: 1087000 99.468 185.008 109.476 185.008 52.0068 -73.0059 109.476 -73.005 158.372 GPRESSURE: 1087000 145.848 206.17 19.7011 151.25 42.0483 -237.994 183.813 33.6389 216.643 PRESSAVG: 1087000 19.0546 32.4834 -47.8456 32.4833 28.3487 11.054 -47.8458 11.054 -13.9473 GPRESSAVG: 1087000 19.1846 34.1076 -51.4664 32.3233 27.1209 11.8424 -45.8289 10.1559 -13.1318 TIMING: 1087000 CPU: 3225.36, 0.00300694/step Wall: 3225.36, 0.00300694/step, 3.26838 hours remaining, 207.332031 MB of memory in use. ENERGY: 1087000 709.9010 2106.9286 1907.4848 105.7212 -206587.9794 17862.4609 0.0000 0.0000 34573.0469 -149322.4361 301.9350 -183895.4830 -149224.7673 300.1396 103.2822 134.8462 555808.9141 11.1520 11.0579 PRESSURE: 1087200 -33.5911 -104.917 198.935 -104.918 135.186 36.8553 198.935 36.8535 -77.0069 GPRESSURE: 1087200 -19.3848 -149.682 125.575 -101.792 127.828 -9.22362 230.222 16.9031 -0.704008 PRESSAVG: 1087200 34.7858 47.9834 -7.94922 47.9834 -9.60381 -12.7084 -7.94923 -12.7084 -32.9771 GPRESSAVG: 1087200 34.749 47.212 -6.68358 49.5482 -8.43535 -12.7883 -8.97999 -13.3598 -34.448 TIMING: 1087200 CPU: 3225.96, 0.00300257/step Wall: 3225.96, 0.00300257/step, 3.26346 hours remaining, 207.332031 MB of memory in use. ENERGY: 1087200 749.2436 2112.9675 1933.7750 132.6966 -206572.8641 17920.0785 0.0000 0.0000 34428.7283 -149295.3746 300.6746 -183724.1029 -149199.8190 299.2881 8.1961 35.9129 558236.3193 -2.5983 -2.7115 PRESSURE: 1087400 94.9355 105.225 -102.176 105.224 -63.7715 24.0734 -102.177 24.0719 -183.55 GPRESSURE: 1087400 91.8511 206.072 -100.355 90.6894 -42.3134 42.8903 -145.706 39.9559 -127.451 PRESSAVG: 1087400 61.3235 1.77406 45.3932 1.77406 -9.68027 -98.1756 45.3931 -98.1756 -82.0209 GPRESSAVG: 1087400 59.8919 4.19175 47.0709 2.07393 -9.42468 -96.1354 44.9438 -98.4136 -80.7176 TIMING: 1087400 CPU: 3226.56, 0.00299445/step Wall: 3226.56, 0.00299445/step, 3.25447 hours remaining, 207.332031 MB of memory in use. ENERGY: 1087400 747.2653 2152.4603 1912.6704 132.4332 -206305.3065 17977.8699 0.0000 0.0000 33980.6519 -149401.9557 296.7615 -183382.6076 -149308.8262 298.9498 -50.7952 -25.9712 559911.1361 -10.1259 -10.0835 PRESSURE: 1087600 130.496 -143.891 99.5764 -143.89 142.82 -131.037 99.5768 -131.039 -25.8492 GPRESSURE: 1087600 77.5354 -149.719 141.299 -148.698 175.622 -51.1412 124.324 -136.089 87.4439 PRESSAVG: 1087600 33.9299 -11.4079 21.5055 -11.408 40.1321 -70.8745 21.5055 -70.8746 -89.369 GPRESSAVG: 1087600 36.3699 -12.9705 20.142 -11.3276 39.9549 -72.9591 21.4657 -71.0065 -91.0397 TIMING: 1087600 CPU: 3227.16, 0.00300956/step Wall: 3227.16, 0.00300956/step, 3.27072 hours remaining, 207.332031 MB of memory in use. ENERGY: 1087600 750.5180 2121.9890 1920.3208 122.4996 -206254.5507 18058.6336 0.0000 0.0000 34079.5167 -149201.0729 297.6249 -183280.5896 -149107.7692 298.7701 82.4887 113.5337 558299.6558 -5.1023 -4.9049 PRESSURE: 1087800 -208.433 149.725 4.22825 149.724 -101.387 118.575 4.22941 118.576 -113.888 GPRESSURE: 1087800 -190.125 91.8514 -0.583295 221.232 -25.2819 91.1963 29.475 189.04 -117.601 PRESSAVG: 1087800 65.8793 -10.3134 35.9775 -10.3134 -0.206286 -26.4935 35.9775 -26.4936 -29.3911 GPRESSAVG: 1087800 66.3464 -9.81112 35.6009 -10.2365 -0.125595 -23.8692 37.2029 -26.4312 -30.4743 TIMING: 1087800 CPU: 3227.76, 0.00300483/step Wall: 3227.76, 0.00300483/step, 3.26542 hours remaining, 207.332031 MB of memory in use. ENERGY: 1087800 748.9270 2113.1407 1936.6174 126.0762 -206164.9004 17787.4377 0.0000 0.0000 34094.2113 -149358.4901 297.7532 -183452.7015 -149265.6599 299.2024 -141.2360 -111.0025 559862.1384 12.0940 11.9155 PRESSURE: 1088000 -280.58 -57.8393 -51.215 -57.8408 -194.554 -140.384 -51.2156 -140.385 -129.931 GPRESSURE: 1088000 -252.747 -77.8792 -88.5103 -20.4051 -119.841 -160.075 7.53758 -72.0966 -133.555 PRESSAVG: 1088000 18.0137 -8.53703 -30.0725 -8.53706 -16.1395 -5.47097 -30.0725 -5.471 67.3162 GPRESSAVG: 1088000 16.2389 -9.41048 -29.1972 -8.44055 -16.3504 -5.36014 -31.2642 -6.47449 68.9714 TIMING: 1088000 CPU: 3228.36, 0.00300127/step Wall: 3228.36, 0.00300127/step, 3.26138 hours remaining, 207.332031 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: 1088000 759.1405 2147.5170 1938.2562 124.9628 -206003.3691 17617.4205 0.0000 0.0000 34133.4649 -149282.6072 298.0960 -183416.0721 -149187.2486 299.0086 -201.6881 -168.7142 559531.8000 23.0634 22.9533 PRESSURE: 1088200 -69.5152 2.03365 -18.6496 2.03463 -131.496 91.7531 -18.6495 91.7545 -125.159 GPRESSURE: 1088200 -45.954 -40.2979 24.9846 76.6246 -137.545 19.2307 -80.2066 149.318 -59.7867 PRESSAVG: 1088200 -15.9939 -17.8322 -18.7827 -17.8321 45.532 -43.7381 -18.7828 -43.7381 -9.87615 GPRESSAVG: 1088200 -15.6817 -16.7293 -19.8948 -17.4702 45.3744 -46.5878 -17.9464 -41.9028 -10.1288 TIMING: 1088200 CPU: 3228.97, 0.00303148/step Wall: 3228.97, 0.00303148/step, 3.29404 hours remaining, 207.332031 MB of memory in use. ENERGY: 1088200 754.4672 2122.7074 1925.1411 98.5838 -206408.5607 17824.9022 0.0000 0.0000 34374.8462 -149307.9128 300.2041 -183682.7590 -149211.3082 299.5316 -108.7234 -81.0952 559393.5541 6.5540 6.5213 LDB: ============= START OF LOAD BALANCING ============== 3232.4 LDB: ============== END OF LOAD BALANCING =============== 3232.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3232.4 LDB: ============= START OF LOAD BALANCING ============== 3232.71 LDB: Largest compute 4820 load 0.028454 is 24.1% of average load 0.117982 LDB: Average compute 0.001725 is 1.5% of average load 0.117982 LDB: TIME 3232.71 LOAD: AVG 0.117982 MAX 0.19938 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.668 MB LDB: TIME 3232.71 LOAD: AVG 0.117982 MAX 0.19938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.875 MB LDB: TIME 3232.71 LOAD: AVG 0.117982 MAX 0.19938 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.875 MB LDB: ============== END OF LOAD BALANCING =============== 3232.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3232.72 PRESSURE: 1088400 -66.4333 50.7708 40.5656 50.7708 -86.0513 89.1571 40.5642 89.1585 -33.3602 GPRESSURE: 1088400 -6.32166 37.2578 122.837 143.655 -49.4058 127.155 -6.71201 -5.26039 -37.6392 PRESSAVG: 1088400 14.598 -74.1647 -48.0267 -74.1647 75.1936 20.5429 -48.0267 20.5429 -79.8242 GPRESSAVG: 1088400 13.5728 -72.3457 -45.4481 -75.4943 74.5573 21.2584 -49.2698 20.9215 -78.0684 TIMING: 1088400 CPU: 3229.59, 0.00309816/step Wall: 3229.59, 0.00309816/step, 3.36632 hours remaining, 205.726562 MB of memory in use. ENERGY: 1088400 737.7846 2088.7645 1948.1250 129.4321 -206260.0549 17956.3101 0.0000 0.0000 34067.5416 -149332.0970 297.5203 -183399.6386 -149236.3280 299.1861 -61.9483 -31.1222 558706.4511 3.3225 3.3539 PRESSURE: 1088600 -353.678 -12.8332 -30.5437 -12.8336 -73.5097 30.4963 -30.5437 30.4964 -15.6904 GPRESSURE: 1088600 -307.776 17.0664 -146.076 -21.714 -70.9412 135.185 11.7611 -46.4917 26.972 PRESSAVG: 1088600 -1.85215 67.935 -3.68 67.935 -6.43857 47.4929 -3.67996 47.4929 -2.92644 GPRESSAVG: 1088600 -0.88244 65.1879 -5.69501 67.2292 -6.10045 47.1871 -4.2256 48.5093 -3.9595 TIMING: 1088600 CPU: 3230.19, 0.00303658/step Wall: 3230.19, 0.00303658/step, 3.29924 hours remaining, 205.726562 MB of memory in use. ENERGY: 1088600 765.2201 2097.9983 1944.0467 108.5452 -206499.2177 17883.5856 0.0000 0.0000 34275.7244 -149424.0974 299.3384 -183699.8217 -149327.9367 298.7122 -147.6260 -117.2483 557730.8333 -3.7391 -3.6475 PRESSURE: 1088800 73.2414 -73.6249 -40.6671 -73.6251 -182.285 -76.3113 -40.667 -76.3104 -247.418 GPRESSURE: 1088800 87.4145 -51.5523 -52.646 -75.4657 -126.749 -44.7349 -8.12557 -98.5243 -232.525 PRESSAVG: 1088800 32.4981 19.9593 11.7215 19.9594 -74.0503 30.3127 11.7216 30.3127 48.0399 GPRESSAVG: 1088800 32.2195 21.8758 11.2527 18.7019 -73.7475 31.03 13.4488 29.1961 47.8861 TIMING: 1088800 CPU: 3230.8, 0.00304966/step Wall: 3230.8, 0.00304966/step, 3.31329 hours remaining, 205.726562 MB of memory in use. ENERGY: 1088800 779.1195 2074.2878 1955.2844 109.3207 -206261.2405 17725.7792 0.0000 0.0000 34359.3969 -149258.0519 300.0692 -183617.4489 -149164.6605 299.2763 -118.8203 -90.6198 557019.3892 2.1626 2.1194 PRESSURE: 1089000 35.1592 -159.696 47.1426 -159.695 70.8895 81.4852 47.1434 81.4852 196.005 GPRESSURE: 1089000 107.675 -215.546 -3.45015 -17.3811 71.8395 130.954 15.6957 46.5468 213.93 PRESSAVG: 1089000 83.1902 -19.0948 -21.9415 -19.0948 -6.37797 7.76395 -21.9416 7.76392 -28.8691 GPRESSAVG: 1089000 84.9355 -19.0235 -23.9903 -17.1684 -7.46684 9.11471 -20.1621 7.74805 -29.4678 TIMING: 1089000 CPU: 3231.41, 0.0030473/step Wall: 3231.41, 0.0030473/step, 3.31056 hours remaining, 205.726562 MB of memory in use. ENERGY: 1089000 764.9022 2059.3745 1958.6952 115.3739 -206473.6522 17943.6878 0.0000 0.0000 34361.0268 -149270.5918 300.0834 -183631.6186 -149172.5190 299.9113 100.6844 131.1480 557295.0734 15.9810 16.0003 PRESSURE: 1089200 104.554 -25.7968 38.8265 -25.7965 116.844 -84.8632 38.8263 -84.8636 -103.764 GPRESSURE: 1089200 122.058 -162.073 -65.4962 59.5127 136.888 41.4535 96.9092 -51.0648 -54.7007 PRESSAVG: 1089200 21.195 2.66497 13.5025 2.66514 -23.8081 9.0811 13.5026 9.08094 28.4805 GPRESSAVG: 1089200 20.0913 3.01577 14.311 1.18935 -22.4774 9.03935 12.5877 8.77829 28.1443 TIMING: 1089200 CPU: 3232.02, 0.00301282/step Wall: 3232.02, 0.00301282/step, 3.27292 hours remaining, 205.726562 MB of memory in use. ENERGY: 1089200 716.3517 2020.4403 1944.1337 111.7224 -206401.5627 18023.8056 0.0000 0.0000 34393.8925 -149191.2165 300.3704 -183585.1090 -149091.1064 299.4254 39.2113 68.0818 558641.4973 8.6225 8.5861 PRESSURE: 1089400 102.154 15.2029 -15.5466 15.2027 -95.6359 45.7142 -15.5474 45.715 -87.7315 GPRESSURE: 1089400 149.766 -4.53012 -31.2755 26.4298 -106.964 51.0133 -42.144 97.7686 -32.7834 PRESSAVG: 1089400 -36.1548 -34.3756 49.8627 -34.3755 -6.60396 -19.2907 49.8627 -19.2907 17.1223 GPRESSAVG: 1089400 -36.6437 -37.2538 51.4769 -32.7465 -7.77146 -20.5276 48.8544 -18.5566 17.8334 TIMING: 1089400 CPU: 3232.62, 0.00301937/step Wall: 3232.62, 0.00301937/step, 3.27987 hours remaining, 205.726562 MB of memory in use. ENERGY: 1089400 718.1219 2136.4009 1910.2240 113.6886 -206040.7044 17717.4111 0.0000 0.0000 34368.1468 -149076.7110 300.1456 -183444.8578 -148976.6519 299.5299 -27.0712 3.3395 559166.2023 -8.5455 -8.8606 PRESSURE: 1089600 -110.467 40.2082 -78.6995 40.2089 -113.595 -2.16831 -78.7011 -2.16702 32.3918 GPRESSURE: 1089600 -35.7297 -57.225 -98.0771 51.4887 -73.9798 13.3362 -17.6336 77.8741 3.24323 PRESSAVG: 1089600 23.6077 -16.5766 20.4644 -16.5765 -36.0848 21.7533 20.4644 21.7534 2.23383 GPRESSAVG: 1089600 24.4718 -14.5086 19.5002 -17.6044 -36.1384 20.3958 21.5841 20.0563 1.03971 TIMING: 1089600 CPU: 3233.22, 0.0030126/step Wall: 3233.22, 0.0030126/step, 3.27236 hours remaining, 205.726562 MB of memory in use. ENERGY: 1089600 737.1652 2114.3240 1937.7430 108.6631 -205773.7341 17707.4212 0.0000 0.0000 34137.8891 -149030.5286 298.1347 -183168.4177 -148941.1563 298.8247 -63.8900 -35.4887 559210.1797 -3.4144 -3.5423 PRESSURE: 1089800 -59.0369 24.5903 -64.1475 24.5894 -279.767 -91.8366 -64.1469 -91.8366 -264.294 GPRESSURE: 1089800 -73.9444 12.3978 -43.2684 3.19301 -246.34 -62.2918 -19.637 -159.251 -190.743 PRESSAVG: 1089800 22.2659 -28.0211 -20.1135 -28.0211 -17.521 52.2 -20.1135 52.1999 -20.7408 GPRESSAVG: 1089800 22.3249 -27.7406 -20.8122 -29.7784 -18.8764 55.9525 -19.9129 51.4151 -20.2548 TIMING: 1089800 CPU: 3233.82, 0.00299553/step Wall: 3233.82, 0.00299553/step, 3.25364 hours remaining, 205.726562 MB of memory in use. ENERGY: 1089800 747.7957 2056.9800 1933.7797 117.4789 -206089.4652 17769.5379 0.0000 0.0000 34440.2965 -149023.5964 300.7757 -183463.8929 -148935.5427 300.0381 -201.0327 -170.3426 559275.3165 -5.3320 -5.6021 PRESSURE: 1090000 -47.6692 15.3056 129.311 15.3056 82.9229 -118.393 129.311 -118.391 127.563 GPRESSURE: 1090000 -20.9958 -18.3256 120.095 34.3637 120.903 -85.3395 70.7151 -207.294 159.519 PRESSAVG: 1090000 -35.008 24.6185 15.3182 24.6185 -20.752 -24.0627 15.3182 -24.0626 62.6787 GPRESSAVG: 1090000 -36.4717 25.3979 15.4533 25.5133 -19.4354 -27.3456 15.6104 -22.618 62.4171 TIMING: 1090000 CPU: 3234.42, 0.00297458/step Wall: 3234.42, 0.00297458/step, 3.23072 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: 1090000 751.8382 2101.0374 1936.3351 113.3705 -206127.8989 17914.3007 0.0000 0.0000 34333.2722 -148977.7448 299.8410 -183311.0170 -148886.7491 299.8927 54.2721 86.4752 557392.6546 2.3062 2.1700 PRESSURE: 1090200 -320.573 -36.3385 -107.789 -36.3376 180.008 -60.283 -107.788 -60.2842 87.0997 GPRESSURE: 1090200 -250.46 -68.8359 -121.464 -101.544 202.942 5.95214 0.303906 -115.807 86.7708 PRESSAVG: 1090200 -17.2811 -24.9976 4.46344 -24.9977 11.1774 -87.0483 4.46344 -87.0483 2.46951 GPRESSAVG: 1090200 -17.1333 -26.1663 5.6414 -25.792 10.9817 -86.7492 3.77097 -87.899 2.81716 TIMING: 1090200 CPU: 3235.01, 0.00299181/step Wall: 3235.01, 0.00299181/step, 3.24927 hours remaining, 205.726562 MB of memory in use. ENERGY: 1090200 733.5601 2114.9915 1941.1804 118.2371 -206236.2008 17814.0840 0.0000 0.0000 34483.5102 -149030.6375 301.1531 -183514.1478 -148935.1764 299.3988 -17.8218 13.0841 557928.1553 -1.2114 -1.1115 PRESSURE: 1090400 5.02835 -50.7844 -75.1005 -50.784 -208.306 29.3532 -75.1001 29.3544 -84.0036 GPRESSURE: 1090400 39.8344 -43.0293 34.9487 -31.9211 -139.73 -55.7514 -136.052 16.8775 -88.8389 PRESSAVG: 1090400 -71.9712 -49.9563 -30.4617 -49.9563 -9.00481 1.09449 -30.4616 1.09433 29.125 GPRESSAVG: 1090400 -71.8843 -48.7475 -30.7576 -49.4812 -8.80494 -0.0774613 -30.3704 4.38616 29.1708 TIMING: 1090400 CPU: 3235.62, 0.00301224/step Wall: 3235.62, 0.00301224/step, 3.2713 hours remaining, 205.726562 MB of memory in use. ENERGY: 1090400 753.2536 2057.3767 1951.7120 95.5692 -205816.3605 17662.8259 0.0000 0.0000 34254.5523 -149041.0708 299.1535 -183295.6231 -148948.6644 299.2626 -95.7604 -62.9113 558761.9942 -17.2837 -17.1728 PRESSURE: 1090600 -60.3166 -181.046 -30.4849 -181.045 5.61161 -53.4532 -30.4841 -53.4534 -139.513 GPRESSURE: 1090600 -33.1775 -195.794 -39.6641 -129.807 -34.3466 -140.682 -47.468 18.3307 -46.5826 PRESSAVG: 1090600 -68.709 -32.3087 13.6478 -32.3087 27.5095 18.4697 13.6478 18.4698 -4.58282 GPRESSAVG: 1090600 -69.9644 -31.4335 13.5248 -33.3862 28.3585 19.1369 12.1274 17.7669 -4.32385 TIMING: 1090600 CPU: 3236.22, 0.00300677/step Wall: 3236.22, 0.00300677/step, 3.26518 hours remaining, 205.726562 MB of memory in use. ENERGY: 1090600 742.0997 2081.7894 1928.7117 109.9262 -205930.7855 17706.3876 0.0000 0.0000 34210.1639 -149151.7071 298.7659 -183361.8710 -149051.3828 299.6151 -64.7393 -38.0356 558803.1349 -15.2608 -15.3099 PRESSURE: 1090800 41.2967 -26.6597 136.872 -26.66 -279.601 12.2946 136.872 12.2938 143.027 GPRESSURE: 1090800 106.945 -43.6687 84.6501 -79.8965 -197.454 31.6708 189.4 -42.5077 98.7857 PRESSAVG: 1090800 10.1203 12.5745 0.828355 12.5746 -39.2615 16.0376 0.828334 16.0377 23.1001 GPRESSAVG: 1090800 12.0461 9.64858 1.57471 15.2778 -40.6336 18.7254 2.30846 13.4918 21.9895 TIMING: 1090800 CPU: 3236.82, 0.00299479/step Wall: 3236.82, 0.00299479/step, 3.25201 hours remaining, 205.726562 MB of memory in use. ENERGY: 1090800 742.8786 2137.1414 1944.1929 120.0995 -205865.1681 17600.2434 0.0000 0.0000 34412.3289 -148908.2833 300.5314 -183320.6122 -148814.7510 300.4697 -31.7589 2.7588 558395.3510 -2.0137 -2.1993 PRESSURE: 1091000 -69.0653 77.1502 -92.0219 77.1507 -37.2012 -9.60074 -92.0234 -9.59955 -138.382 GPRESSURE: 1091000 -63.8799 -21.819 -105.192 62.1266 -16.699 11.6373 -48.7528 5.4228 -79.6439 PRESSAVG: 1091000 -14.5044 -32.4252 7.07371 -32.4252 -7.27893 19.3162 7.0736 19.3162 28.9739 GPRESSAVG: 1091000 -15.8586 -30.515 6.16148 -32.6474 -6.76717 16.8723 5.32418 20.7283 29.7897 TIMING: 1091000 CPU: 3237.41, 0.00295601/step Wall: 3237.41, 0.00295601/step, 3.20973 hours remaining, 205.726562 MB of memory in use. ENERGY: 1091000 760.4835 2161.8496 1916.5427 120.1730 -205864.8300 17603.6126 0.0000 0.0000 34379.8101 -148922.3584 300.2474 -183302.1685 -148833.2904 299.8720 -81.5495 -53.4076 558547.2225 2.3969 2.3880 PRESSURE: 1091200 -95.7727 21.4473 -34.4976 21.448 11.3574 -156.848 -34.4986 -156.849 52.6251 GPRESSURE: 1091200 -63.6625 -25.847 39.7705 77.9068 99.7516 -162.31 -88.9803 -161.029 24.9109 PRESSAVG: 1091200 -68.2121 12.4034 -66.0176 12.4033 21.0766 0.557851 -66.0176 0.557992 36.0396 GPRESSAVG: 1091200 -66.6083 12.4072 -66.5746 10.9838 20.1482 1.0268 -62.3494 0.951901 35.2053 TIMING: 1091200 CPU: 3238, 0.00296503/step Wall: 3238, 0.00296503/step, 3.21936 hours remaining, 205.726562 MB of memory in use. ENERGY: 1091200 755.8494 2106.7408 1970.2281 124.2598 -206090.0516 17802.4735 0.0000 0.0000 34312.1399 -149018.3600 299.6565 -183330.5000 -148913.9034 299.8190 -10.5967 20.3334 556408.4024 -3.6986 -3.7516 PRESSURE: 1091400 12.4815 16.3063 72.861 16.3059 -183.245 86.6689 72.8611 86.6709 -25.0697 GPRESSURE: 1091400 61.2953 77.3236 28.4073 -10.5549 -153.243 27.3119 87.0936 16.9705 -5.62589 PRESSAVG: 1091400 -14.9733 -12.2353 -15.1958 -12.2353 41.4445 -42.3402 -15.1958 -42.3402 26.4684 GPRESSAVG: 1091400 -15.0967 -14.1145 -15.5794 -12.9888 40.6506 -42.2304 -17.0249 -43.5304 27.0554 TIMING: 1091400 CPU: 3238.6, 0.00297699/step Wall: 3238.6, 0.00297699/step, 3.23219 hours remaining, 205.726562 MB of memory in use. ENERGY: 1091400 758.3217 2131.9973 1937.7097 131.2436 -205804.5895 17563.0939 0.0000 0.0000 34415.0092 -148867.2142 300.5548 -183282.2234 -148770.2491 300.3211 -65.2778 -32.5246 558291.9082 17.6466 17.5364 PRESSURE: 1091600 -165.134 -23.1534 -76.4517 -23.1538 295.749 37.2721 -76.4525 37.2724 192.164 GPRESSURE: 1091600 -102.561 65.3835 -20.0672 -151.309 342.668 -18.6521 -76.3846 63.2325 182.998 PRESSAVG: 1091600 8.88401 -48.4233 14.3343 -48.4234 -12.3398 -1.93512 14.3343 -1.93522 27.2769 GPRESSAVG: 1091600 9.59774 -48.2087 16.7118 -47.0603 -11.7791 -1.11545 13.0835 -0.94832 26.401 TIMING: 1091600 CPU: 3239.19, 0.00298168/step Wall: 3239.19, 0.00298168/step, 3.23711 hours remaining, 205.726562 MB of memory in use. ENERGY: 1091600 742.6704 2083.9640 1932.7347 112.4276 -206134.9024 18040.1241 0.0000 0.0000 34309.0208 -148913.9609 299.6292 -183222.9816 -148817.5103 300.9191 107.5929 141.0349 557641.1005 7.9404 8.0732 PRESSURE: 1091800 -144.718 -102.782 -4.56621 -102.783 -181.739 230.682 -4.56744 230.683 -54.7693 GPRESSURE: 1091800 -152.788 -210.83 75.357 -45.3225 -128.189 339.735 -19.9764 221.741 -18.2383 PRESSAVG: 1091800 -28.4026 -18.5554 33.5056 -18.5555 -21.4247 10.6842 33.5056 10.6843 84.8159 GPRESSAVG: 1091800 -29.0357 -16.8726 32.6371 -19.6526 -21.4033 9.67134 33.4479 12.1801 85.046 TIMING: 1091800 CPU: 3239.79, 0.0029979/step Wall: 3239.79, 0.0029979/step, 3.25455 hours remaining, 205.726562 MB of memory in use. ENERGY: 1091800 729.3305 2120.6484 1939.3199 107.7853 -206156.4752 17763.5396 0.0000 0.0000 34412.6537 -149083.1976 300.5343 -183495.8514 -148989.0700 300.3730 -127.0752 -99.7384 557435.2646 11.6629 11.5357 PRESSURE: 1092000 64.9421 123.838 -68.6594 123.838 99.5696 30.8389 -68.6592 30.8391 188.758 GPRESSURE: 1092000 90.3999 144.838 -60.4816 154.047 102.362 66.1224 -48.2838 18.3388 247.429 PRESSAVG: 1092000 -83.4604 14.9503 61.1261 14.9503 -9.65374 6.21693 61.1261 6.21691 117.502 GPRESSAVG: 1092000 -83.4338 14.1638 60.7556 15.7016 -9.40392 5.66207 60.2443 4.79817 117.386 TIMING: 1092000 CPU: 3240.39, 0.00300664/step Wall: 3240.39, 0.00300664/step, 3.26387 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: 1092000 747.4971 2156.9283 1954.4621 116.6298 -206362.7610 17970.7699 0.0000 0.0000 34319.0328 -149097.4411 299.7166 -183416.4738 -149004.5604 300.6401 117.7566 146.7302 555320.2085 8.1292 8.1829 PRESSURE: 1092200 79.0672 -130.111 -13.0538 -130.11 -118.982 -66.0915 -13.0535 -66.0906 166.256 GPRESSURE: 1092200 73.5571 -210.4 -60.548 -51.6307 -78.5335 -44.6481 -17.5312 -32.654 229.359 PRESSAVG: 1092200 -18.6428 -15.6663 27.4218 -15.6663 27.6002 -34.7129 27.4218 -34.713 31.6124 GPRESSAVG: 1092200 -18.5921 -15.2812 27.1324 -13.8854 27.8012 -32.8502 30.2761 -34.4991 31.0756 TIMING: 1092200 CPU: 3240.99, 0.00298843/step Wall: 3240.99, 0.00298843/step, 3.24395 hours remaining, 205.726562 MB of memory in use. ENERGY: 1092200 758.4432 2075.5456 1907.9323 107.9904 -206491.2151 17845.8858 0.0000 0.0000 34432.3537 -149363.0641 300.7063 -183795.4178 -149261.6410 299.8501 42.1140 74.7943 555098.6354 13.5233 13.4282 LDB: ============= START OF LOAD BALANCING ============== 3244.42 LDB: ============== END OF LOAD BALANCING =============== 3244.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3244.43 LDB: ============= START OF LOAD BALANCING ============== 3244.73 LDB: Largest compute 4821 load 0.030510 is 25.9% of average load 0.117936 LDB: Average compute 0.001726 is 1.5% of average load 0.117936 LDB: TIME 3244.73 LOAD: AVG 0.117936 MAX 0.19735 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 3244.73 LOAD: AVG 0.117936 MAX 0.19735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: TIME 3244.73 LOAD: AVG 0.117936 MAX 0.19735 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3244.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3244.73 PRESSURE: 1092400 -303.277 147.741 -1.18277 147.742 5.62996 -119.448 -1.18267 -119.449 11.0041 GPRESSURE: 1092400 -276.514 74.9168 16.6367 112.779 44.8565 -81.3433 -97.5493 -121.267 53.4229 PRESSAVG: 1092400 -61.7449 36.9494 41.9903 36.9494 1.14964 -54.0503 41.9903 -54.0502 113.229 GPRESSAVG: 1092400 -62.6032 36.9806 42.7881 37.0527 2.1835 -55.5885 39.4125 -52.6069 113.432 TIMING: 1092400 CPU: 3241.6, 0.00306482/step Wall: 3241.6, 0.00306482/step, 3.32669 hours remaining, 205.734375 MB of memory in use. ENERGY: 1092400 764.0547 2108.8251 1938.5087 117.8567 -206361.8728 17708.9509 0.0000 0.0000 34276.5325 -149447.1441 299.3455 -183723.6766 -149353.0301 298.4746 -95.5477 -59.4114 556665.2131 17.5445 17.6708 PRESSURE: 1092600 -152.989 245.512 209.956 245.511 -84.3967 -122.651 209.956 -122.65 -1.59288 GPRESSURE: 1092600 -114.367 290.532 129.361 148.279 -33.6563 -57.335 248.699 -123.377 11.9186 PRESSAVG: 1092600 -70.1759 34.8422 65.6508 34.8422 20.8792 -24.8309 65.6508 -24.8309 20.9359 GPRESSAVG: 1092600 -69.1406 34.7956 66.0851 31.5284 20.0839 -25.9047 67.2658 -25.7904 20.8441 TIMING: 1092600 CPU: 3242.21, 0.00303056/step Wall: 3242.21, 0.00303056/step, 3.28933 hours remaining, 205.734375 MB of memory in use. ENERGY: 1092600 740.6215 2106.3841 1964.6927 106.9252 -206187.8426 17724.5771 0.0000 0.0000 34214.8919 -149329.7501 298.8072 -183544.6421 -149236.0831 298.6475 -79.6595 -45.3682 556584.8974 -9.4536 -9.4042 PRESSURE: 1092800 -113.309 127.431 -10.6461 127.432 13.0461 36.803 -10.6455 36.8023 106.786 GPRESSURE: 1092800 -18.6888 18.79 -37.4188 208.043 13.3328 150.51 -44.8017 -57.994 109.224 PRESSAVG: 1092800 22.0367 33.0905 -20.0925 33.0904 -0.177386 18.8107 -20.0924 18.8107 25.0271 GPRESSAVG: 1092800 21.4298 31.8235 -20.0072 37.168 0.407285 18.0248 -21.6096 18.4506 24.8389 TIMING: 1092800 CPU: 3242.81, 0.00299403/step Wall: 3242.81, 0.00299403/step, 3.24952 hours remaining, 205.734375 MB of memory in use. ENERGY: 1092800 728.7714 2112.9885 1949.8982 125.9093 -206370.1582 17818.0806 0.0000 0.0000 34328.8280 -149305.6822 299.8022 -183634.5102 -149210.6374 299.0909 2.1744 34.6225 557103.1658 15.6288 15.5587 PRESSURE: 1093000 172.182 -49.7685 71.779 -49.7682 -82.552 27.527 71.7792 27.5271 -37.3628 GPRESSURE: 1093000 234.742 -21.0232 140.152 -97.9615 -97.748 86.6451 153.997 -15.9541 8.98279 PRESSAVG: 1093000 76.927 17.3626 41.3077 17.3626 11.4958 4.18436 41.3077 4.18423 -49.2358 GPRESSAVG: 1093000 77.5837 18.7257 41.9975 17.5258 10.7163 6.77094 40.2494 3.08765 -48.4486 TIMING: 1093000 CPU: 3243.41, 0.00298698/step Wall: 3243.41, 0.00298698/step, 3.2417 hours remaining, 205.734375 MB of memory in use. ENERGY: 1093000 743.7090 2099.2606 1954.0912 115.2302 -206308.9721 17863.8394 0.0000 0.0000 34270.5977 -149262.2439 299.2937 -183532.8416 -149169.1343 298.7391 17.4223 48.6588 557918.2056 13.0623 13.2838 PRESSURE: 1093200 124.783 19.3681 -14.9199 19.3669 0.640119 15.2717 -14.9184 15.2725 226.344 GPRESSURE: 1093200 130.934 136.583 -43.8882 -25.0547 89.8957 47.0687 84.5243 56.658 232.772 PRESSAVG: 1093200 29.9869 -4.40625 14.2236 -4.40616 -21.7298 -27.1376 14.2236 -27.1376 -62.7258 GPRESSAVG: 1093200 28.8649 -3.48536 14.5322 -5.28982 -19.2897 -28.4672 16.281 -26.3149 -63.7683 TIMING: 1093200 CPU: 3244.01, 0.00300145/step Wall: 3244.01, 0.00300145/step, 3.25724 hours remaining, 205.734375 MB of memory in use. ENERGY: 1093200 723.5165 2081.6522 1956.8632 118.3991 -206147.6517 17938.8200 0.0000 0.0000 34069.0733 -149259.3274 297.5337 -183328.4007 -149161.1723 298.8815 117.2555 151.2006 557872.2584 -18.1562 -18.0644 PRESSURE: 1093400 47.1679 -74.493 -32.9361 -74.4917 -46.1588 175.241 -32.9361 175.242 33.5748 GPRESSURE: 1093400 64.3339 -63.1723 -27.5001 -14.7311 1.21704 93.455 -98.3686 186.394 63.2441 PRESSAVG: 1093400 2.60821 35.1428 -62.8643 35.1427 54.7139 39.6812 -62.8643 39.681 -82.5882 GPRESSAVG: 1093400 2.28396 34.8392 -63.886 34.1414 53.5214 37.6325 -64.0753 40.5784 -80.6327 TIMING: 1093400 CPU: 3244.61, 0.00300823/step Wall: 3244.61, 0.00300823/step, 3.26443 hours remaining, 205.734375 MB of memory in use. ENERGY: 1093400 711.8995 2098.8834 1932.0419 112.9365 -206331.6770 17816.0518 0.0000 0.0000 34325.5823 -149334.2816 299.7738 -183659.8640 -149235.3185 299.5246 11.5280 42.9317 557004.0887 -8.4220 -8.2758 PRESSURE: 1093600 -89.0508 90.1297 51.9884 90.1295 -17.2149 -80.6052 51.9892 -80.6051 113.175 GPRESSURE: 1093600 -65.9093 51.1999 168.707 108.337 20.6496 39.1106 77.8902 -55.6381 158.399 PRESSAVG: 1093600 17.6815 22.3152 38.2828 22.3152 -21.1495 -24.6696 38.2828 -24.6697 30.7377 GPRESSAVG: 1093600 18.8395 21.9881 39.9045 21.0377 -21.6797 -23.0958 37.8965 -25.301 30.2398 TIMING: 1093600 CPU: 3245.21, 0.00301062/step Wall: 3245.21, 0.00301062/step, 3.26686 hours remaining, 205.734375 MB of memory in use. ENERGY: 1093600 768.1548 2049.2001 1934.3817 109.0048 -206640.7671 17915.2746 0.0000 0.0000 34209.1109 -149655.6401 298.7567 -183864.7511 -149558.0868 298.4835 2.3031 37.7132 556255.3556 9.0899 9.1332 PRESSURE: 1093800 -110.919 -82.5048 169.628 -82.5032 -105.152 -154.804 169.628 -154.805 -36.3151 GPRESSURE: 1093800 -99.8846 -94.4328 33.0525 -160.753 -57.522 -198.8 207.952 -154.956 -3.44258 PRESSAVG: 1093800 -56.8553 -46.7089 -10.6102 -46.7089 15.1361 -13.9131 -10.6102 -13.9131 4.2765 GPRESSAVG: 1093800 -57.0274 -48.0584 -13.3681 -44.2514 15.2051 -12.0946 -11.1621 -17.0737 4.63676 TIMING: 1093800 CPU: 3245.81, 0.00300024/step Wall: 3245.81, 0.00300024/step, 3.25543 hours remaining, 205.734375 MB of memory in use. ENERGY: 1093800 752.1489 2147.5201 1896.6050 103.7225 -206548.5793 17776.0471 0.0000 0.0000 34071.5616 -149800.9742 297.5554 -183872.5358 -149714.6350 297.6329 -84.1288 -53.6164 556589.5289 -12.4809 -12.3952 PRESSURE: 1094000 -318.116 -89.8898 -5.66117 -89.89 -63.1707 5.43116 -5.66183 5.43133 -235.965 GPRESSURE: 1094000 -252.945 -71.2993 -43.6437 -141.606 -24.983 -81.4711 19.3843 126.378 -240.567 PRESSAVG: 1094000 3.64278 -12.2226 -26.3506 -12.2226 2.98718 5.92455 -26.3506 5.92446 -20.2875 GPRESSAVG: 1094000 3.32593 -9.68982 -27.0466 -12.8863 2.73024 3.83695 -25.3507 10.3215 -19.905 TIMING: 1094000 CPU: 3246.41, 0.00298493/step Wall: 3246.41, 0.00298493/step, 3.23865 hours remaining, 205.734375 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: 1094000 765.0925 2131.9687 1910.9282 108.5576 -206816.2826 17913.1225 0.0000 0.0000 34211.3980 -149775.2151 298.7766 -183986.6131 -149681.5287 298.1452 -205.7508 -172.8316 556963.3557 -4.5525 -4.6163 PRESSURE: 1094200 -129.055 109.535 107.549 109.535 -254.136 23.0312 107.548 23.0307 112.739 GPRESSURE: 1094200 -43.4298 145.166 18.6418 77.444 -257.148 91.7094 206.828 55.3711 130.507 PRESSAVG: 1094200 47.7472 25.6746 -20.8775 25.6746 -32.9684 -25.8524 -20.8774 -25.8524 36.2952 GPRESSAVG: 1094200 48.3861 23.5059 -19.7601 25.5097 -33.3385 -21.8722 -20.8313 -29.3906 36.4192 TIMING: 1094200 CPU: 3247.01, 0.00300366/step Wall: 3247.01, 0.00300366/step, 3.2588 hours remaining, 205.734375 MB of memory in use. ENERGY: 1094200 729.0640 2100.0111 1931.7239 105.3422 -206609.9875 17869.8778 0.0000 0.0000 34073.3920 -149800.5765 297.5714 -183873.9686 -149705.0947 298.4594 -90.1507 -56.6903 558368.8776 17.0247 17.1556 PRESSURE: 1094400 190.285 126.124 -152.494 126.124 124.494 115.767 -152.493 115.768 -234.843 GPRESSURE: 1094400 232.778 170.461 -222.844 72.9146 151.942 104.034 -71.345 127.617 -199.256 PRESSAVG: 1094400 48.5124 12.677 0.17026 12.677 -19.5601 18.1129 0.170201 18.1129 -36.0051 GPRESSAVG: 1094400 48.295 13.5098 0.288387 13.1544 -19.1557 15.1494 -0.714392 19.71 -35.8738 TIMING: 1094400 CPU: 3247.61, 0.00300951/step Wall: 3247.61, 0.00300951/step, 3.26498 hours remaining, 205.734375 MB of memory in use. ENERGY: 1094400 769.3344 2134.8907 1942.5840 94.7782 -206771.0172 17991.1832 0.0000 0.0000 34128.0419 -149710.2047 298.0487 -183838.2466 -149619.4116 297.8959 26.6457 61.8213 556237.9730 -2.3509 -2.2448 PRESSURE: 1094600 -212.711 -2.5707 -188.828 -2.57029 -115.266 78.4362 -188.829 78.4374 -123.212 GPRESSURE: 1094600 -167.635 -3.95655 -219.76 78.8172 -36.7845 26.3988 -166.938 130.179 -136.741 PRESSAVG: 1094600 28.0931 36.1287 -50.6629 36.1287 10.2372 100.523 -50.6629 100.523 -30.9539 GPRESSAVG: 1094600 28.8487 37.2852 -52.1781 36.144 10.9278 99.0102 -50.0138 99.3533 -32.1426 TIMING: 1094600 CPU: 3248.21, 0.00299126/step Wall: 3248.21, 0.00299126/step, 3.24502 hours remaining, 205.734375 MB of memory in use. ENERGY: 1094600 768.1855 2059.6016 1927.8853 110.3031 -206522.4415 17739.5039 0.0000 0.0000 34364.6678 -149552.2943 300.1152 -183916.9621 -149458.4867 298.4390 -150.3962 -113.7201 557134.0314 2.4588 2.5446 PRESSURE: 1094800 25.5537 73.3079 121.32 73.3101 96.017 -97.5941 121.318 -97.5947 67.6944 GPRESSURE: 1094800 40.773 168.226 20.6512 46.1423 143.447 -114.259 140.764 -10.9991 101.515 PRESSAVG: 1094800 -22.4385 -3.26705 -32.1092 -3.26701 63.09 3.41511 -32.1092 3.41502 -7.12778 GPRESSAVG: 1094800 -23.7184 -3.5278 -34.2544 -4.61499 63.0932 1.9361 -31.0488 5.26973 -6.27234 TIMING: 1094800 CPU: 3248.8, 0.0029672/step Wall: 3248.8, 0.0029672/step, 3.21875 hours remaining, 205.734375 MB of memory in use. ENERGY: 1094800 710.4531 2099.9328 1924.2066 108.7201 -206318.5441 17909.7744 0.0000 0.0000 34134.9824 -149430.4746 298.1093 -183565.4570 -149332.1726 298.5274 63.0884 95.2450 556635.0955 11.1746 11.0341 PRESSURE: 1095000 -317.321 85.998 -113.153 85.9965 -238.663 -69.745 -113.154 -69.7455 -59.9821 GPRESSURE: 1095000 -291.446 105.077 -144.689 127.414 -238.007 27.0393 -70.4435 -161.27 3.71472 PRESSAVG: 1095000 19.9168 -6.73159 20.0067 -6.7316 33.6634 -24.9617 20.0067 -24.9617 -37.1079 GPRESSAVG: 1095000 19.7607 -6.85997 20.5858 -5.9551 33.7729 -23.1395 20.4143 -26.3168 -37.3953 TIMING: 1095000 CPU: 3249.4, 0.00298762/step Wall: 3249.4, 0.00298762/step, 3.24073 hours remaining, 205.734375 MB of memory in use. ENERGY: 1095000 787.9507 2064.9059 1955.7310 146.3577 -206101.0275 17686.9419 0.0000 0.0000 34068.8394 -149390.3009 297.5316 -183459.1403 -149295.7753 298.7185 -205.3220 -175.2462 557847.5904 5.4908 5.3794 PRESSURE: 1095200 -311.556 -30.3528 46.8352 -30.3531 -151.868 30.7691 46.8349 30.7697 21.2171 GPRESSURE: 1095200 -305.793 -49.3193 48.1103 69.2012 -66.1165 20.2896 65.0097 13.0652 24.7628 PRESSAVG: 1095200 3.5895 14.6068 -29.9884 14.6068 -19.9014 -24.1364 -29.9883 -24.1362 33.6198 GPRESSAVG: 1095200 3.28548 14.6495 -28.2014 13.9368 -20.8062 -21.8038 -29.956 -23.7356 34.9243 TIMING: 1095200 CPU: 3250, 0.00298603/step Wall: 3250, 0.00298603/step, 3.23885 hours remaining, 205.734375 MB of memory in use. ENERGY: 1095200 756.7117 2080.9942 1929.7888 105.7267 -206055.4667 17730.6369 0.0000 0.0000 33926.2789 -149525.3296 296.2866 -183451.6085 -149429.0161 297.9879 -147.4023 -115.7156 558407.8286 5.7693 5.8012 PRESSURE: 1095400 -82.1586 -18.8206 30.3377 -18.8206 -271.82 25.6918 30.3372 25.6906 72.4667 GPRESSURE: 1095400 -9.71924 7.10895 57.7244 -52.5483 -288.605 44.7426 -52.6326 27.3925 105.811 PRESSAVG: 1095400 -26.0714 33.4171 48.1716 33.417 -39.7063 -25.9829 48.1716 -25.9828 93.0609 GPRESSAVG: 1095400 -24.9155 33.4024 46.9599 33.3732 -39.8651 -26.7761 47.8453 -25.8896 92.3307 TIMING: 1095400 CPU: 3250.6, 0.00300135/step Wall: 3250.6, 0.00300135/step, 3.2553 hours remaining, 205.734375 MB of memory in use. ENERGY: 1095400 760.3069 2069.4284 1914.6629 117.7699 -206095.4952 17815.3780 0.0000 0.0000 34146.1573 -149271.7916 298.2069 -183417.9489 -149175.9875 298.5469 -93.8372 -64.1712 557828.9876 9.0944 9.1834 PRESSURE: 1095600 -57.8086 -18.1878 -59.3171 -18.1895 95.6925 -5.94848 -59.3173 -5.94873 246.083 GPRESSURE: 1095600 -6.07679 6.53053 -71.7665 -11.1635 97.1296 -66.854 -109.463 -35.4377 278.55 PRESSAVG: 1095600 -65.455 38.2414 -31.3579 38.2413 44.5536 -13.9381 -31.3579 -13.9381 41.0262 GPRESSAVG: 1095600 -65.7106 38.5289 -30.8048 38.2373 45.4511 -14.9046 -30.8628 -15.0396 40.6132 TIMING: 1095600 CPU: 3251.2, 0.00301739/step Wall: 3251.2, 0.00301739/step, 3.27253 hours remaining, 205.734375 MB of memory in use. ENERGY: 1095600 735.9652 2039.5106 1930.9951 116.8900 -206453.2473 18102.7131 0.0000 0.0000 34255.8605 -149271.3128 299.1650 -183527.1733 -149176.1168 299.2522 94.6556 123.2008 557384.4920 6.7083 6.7846 PRESSURE: 1095800 71.153 16.4806 -38.447 16.4808 127.058 78.3017 -38.446 78.3016 215.229 GPRESSURE: 1095800 80.2515 32.4391 -90.6788 -7.39543 155.231 97.7374 -74.8208 13.6882 280.894 PRESSAVG: 1095800 6.533 19.1724 17.1675 19.1725 12.2301 -13.6753 17.1675 -13.6752 -20.2036 GPRESSAVG: 1095800 6.25872 17.6953 18.0469 20.9871 11.771 -12.8409 16.3854 -12.5661 -19.4241 TIMING: 1095800 CPU: 3251.8, 0.00297363/step Wall: 3251.8, 0.00297363/step, 3.2249 hours remaining, 205.734375 MB of memory in use. ENERGY: 1095800 719.3184 2047.6857 1937.7683 112.0828 -206254.9594 18027.0212 0.0000 0.0000 34316.4147 -149094.6683 299.6938 -183411.0830 -149003.7947 299.5871 137.8134 172.1255 558141.8401 -0.4802 -0.4648 PRESSURE: 1096000 52.6107 2.69147 69.0994 2.69067 -216.189 -17.9955 69.0999 -17.9951 31.875 GPRESSURE: 1096000 107.128 32.5426 109.19 68.7066 -139.259 66.5165 87.9151 -45.0047 14.1027 PRESSAVG: 1096000 39.7012 26.7182 25.0797 26.7182 1.71502 -4.20458 25.0798 -4.20451 -13.0736 GPRESSAVG: 1096000 39.9105 26.4771 25.7041 25.3923 2.33882 -5.70675 23.3801 -4.62089 -14.1352 TIMING: 1096000 CPU: 3252.39, 0.0029942/step Wall: 3252.39, 0.0029942/step, 3.24705 hours remaining, 205.734375 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: 1096000 732.1534 2075.1080 1933.1266 111.0694 -206160.9526 17853.5722 0.0000 0.0000 34427.9661 -149027.9569 300.6680 -183455.9230 -148928.9100 300.3879 -43.9011 -6.0097 556963.9159 9.4475 9.3714 PRESSURE: 1096200 -109.959 23.7366 19.6394 23.7363 -212.936 -54.171 19.6391 -54.1706 -111.662 GPRESSURE: 1096200 -57.4102 7.12072 -11.5892 31.869 -205.536 -28.4314 30.3146 -56.2804 -68.2804 PRESSAVG: 1096200 -17.5634 -34.6375 19.9773 -34.6375 16.9727 48.1719 19.9774 48.1718 -3.04571 GPRESSAVG: 1096200 -18.4338 -33.7754 20.5181 -33.1069 17.2186 49.4454 21.2795 48.7425 -2.68827 TIMING: 1096200 CPU: 3252.99, 0.00297016/step Wall: 3252.99, 0.00297016/step, 3.22081 hours remaining, 205.734375 MB of memory in use. ENERGY: 1096200 755.4331 2085.5466 1961.3170 114.2137 -205793.3220 17656.4915 0.0000 0.0000 34383.3690 -148836.9511 300.2785 -183220.3201 -148732.2661 300.4694 -144.8525 -110.4089 557889.5757 -1.2121 -1.3012 LDB: ============= START OF LOAD BALANCING ============== 3256.41 LDB: ============== END OF LOAD BALANCING =============== 3256.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3256.42 LDB: ============= START OF LOAD BALANCING ============== 3256.71 LDB: Largest compute 4820 load 0.027759 is 23.6% of average load 0.117870 LDB: Average compute 0.001720 is 1.5% of average load 0.117870 LDB: TIME 3256.71 LOAD: AVG 0.11787 MAX 0.192903 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 3256.71 LOAD: AVG 0.11787 MAX 0.192903 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.934 MB LDB: TIME 3256.71 LOAD: AVG 0.11787 MAX 0.192903 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3256.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3256.72 PRESSURE: 1096400 140.905 -84.0666 -37.6863 -84.0663 -25.4153 -102.433 -37.6865 -102.432 80.9764 GPRESSURE: 1096400 218.892 -192.684 -139.355 -89.887 2.09262 -165.608 23.891 -79.9336 67.4115 PRESSAVG: 1096400 -37.3288 -29.6406 37.1344 -29.6407 -2.41055 49.0555 37.1345 49.0553 -9.71852 GPRESSAVG: 1096400 -36.5734 -30.2518 35.2431 -29.0809 -2.92358 49.0015 37.9222 49.0115 -9.92817 TIMING: 1096400 CPU: 3253.59, 0.00300537/step Wall: 3253.59, 0.00300537/step, 3.25882 hours remaining, 206.765625 MB of memory in use. ENERGY: 1096400 739.1966 2070.7272 1946.2513 120.4412 -206121.2586 17896.2032 0.0000 0.0000 34464.5813 -148883.8578 300.9878 -183348.4390 -148786.6082 300.4241 65.4886 96.1321 557813.2087 -16.4859 -16.4751 PRESSURE: 1096600 229.169 -137.11 -90.5252 -137.109 122.639 68.5531 -90.5253 68.5537 268.12 GPRESSURE: 1096600 284.767 -185.858 -109.891 -63.5688 159.591 52.4492 -34.0767 57.8715 254.182 PRESSAVG: 1096600 33.5189 -32.6955 2.4065 -32.6954 -0.515667 -32.752 2.40641 -32.7521 0.595275 GPRESSAVG: 1096600 33.0023 -30.2981 1.29816 -34.9498 0.0375722 -31.6967 3.77262 -33.7578 0.552348 TIMING: 1096600 CPU: 3254.19, 0.00298361/step Wall: 3254.19, 0.00298361/step, 3.23506 hours remaining, 206.765625 MB of memory in use. ENERGY: 1096600 755.9189 2128.5714 1929.0594 129.3436 -206075.0271 17991.0881 0.0000 0.0000 34114.5491 -149026.4966 297.9308 -183141.0456 -148933.5224 299.8642 206.6427 232.8468 557587.7761 11.1995 11.1974 PRESSURE: 1096800 -148.423 21.9762 -121.789 21.9767 -70.4579 -11.5567 -121.788 -11.5573 71.7561 GPRESSURE: 1096800 -95.9559 -32.02 -128.595 82.8753 -24.2189 -103.728 -34.3998 42.8745 68.7375 PRESSAVG: 1096800 24.9733 14.7647 -30.8912 14.7647 -12.7114 22.6332 -30.8912 22.6332 -45.9574 GPRESSAVG: 1096800 25.555 12.7172 -29.9135 16.5849 -13.3007 19.9793 -32.2802 23.6738 -45.9702 TIMING: 1096800 CPU: 3254.78, 0.00295996/step Wall: 3254.78, 0.00295996/step, 3.20925 hours remaining, 206.765625 MB of memory in use. ENERGY: 1096800 750.8296 2064.9378 1923.5005 92.9954 -205997.7736 17815.4418 0.0000 0.0000 34279.8399 -149070.2286 299.3744 -183350.0685 -148968.5092 299.4708 -49.0416 -17.1458 559059.1617 -11.2318 -11.2386 PRESSURE: 1097000 -105.245 181.296 52.9338 181.296 69.4027 113.247 52.9328 113.246 -98.4505 GPRESSURE: 1097000 -77.819 175.701 39.2552 155.715 78.8786 95.9254 50.836 110.899 -54.7759 PRESSAVG: 1097000 -67.3685 16.5983 8.85126 16.5982 51.5182 -50.0214 8.85122 -50.0216 14.599 GPRESSAVG: 1097000 -67.8934 17.3699 8.37562 15.2564 51.4077 -48.0581 10.0855 -50.4454 14.7819 TIMING: 1097000 CPU: 3255.38, 0.00299889/step Wall: 3255.38, 0.00299889/step, 3.2513 hours remaining, 206.765625 MB of memory in use. ENERGY: 1097000 728.1725 2109.5951 1930.9115 115.1066 -206116.2517 17770.1421 0.0000 0.0000 34250.7486 -149211.5752 299.1203 -183462.3238 -149119.6738 299.4870 -44.7644 -17.9054 558735.2963 -0.4171 -0.5679 PRESSURE: 1097200 -70.7216 -54.4272 27.7851 -54.4261 160.08 65.5916 27.7846 65.5913 81.4427 GPRESSURE: 1097200 -80.5835 5.43718 -20.7073 4.86331 169.743 104.575 46.2343 116.223 162.377 PRESSAVG: 1097200 -8.66167 18.6488 37.0259 18.6488 23.0576 3.80961 37.0258 3.80954 27.3823 GPRESSAVG: 1097200 -9.16705 18.4764 36.8166 21.4923 23.5497 4.23782 34.7135 2.94192 27.7071 TIMING: 1097200 CPU: 3255.98, 0.00298859/step Wall: 3255.98, 0.00298859/step, 3.23996 hours remaining, 206.765625 MB of memory in use. ENERGY: 1097200 725.3521 2095.7309 1940.0302 109.2359 -206055.8500 17782.9513 0.0000 0.0000 34066.4912 -149336.0584 297.5111 -183402.5495 -149242.1182 299.4320 56.9338 83.8456 558152.8748 13.9261 14.0299 PRESSURE: 1097400 -92.4433 -6.7898 84.9705 -6.78941 -6.17145 31.6091 84.9703 31.609 -20.4954 GPRESSURE: 1097400 -32.5005 0.63855 22.2408 43.8399 45.3367 87.4061 111.923 6.38048 -38.6106 PRESSAVG: 1097400 -32.0485 58.7148 -4.87841 58.7148 40.1453 -1.48221 -4.87843 -1.48227 4.9283 GPRESSAVG: 1097400 -30.3714 59.6444 -3.1967 54.7069 40.0499 -1.53863 -4.48663 -2.13368 3.33883 TIMING: 1097400 CPU: 3256.57, 0.00295609/step Wall: 3256.57, 0.00295609/step, 3.20457 hours remaining, 206.765625 MB of memory in use. ENERGY: 1097400 730.5006 2091.1194 1933.4930 121.4928 -206332.8582 17805.6809 0.0000 0.0000 34294.8987 -149355.6729 299.5059 -183650.5716 -149259.5015 299.0792 -39.7034 -8.5915 557883.3335 4.3417 4.3391 PRESSURE: 1097600 -27.1349 -49.592 106.083 -49.5938 125.225 187.984 106.082 187.985 -3.69723 GPRESSURE: 1097600 -14.323 -15.9148 159.302 -136.91 145.507 140.807 49.5271 240.298 69.3848 PRESSAVG: 1097600 -83.1328 -53.0556 51.1116 -53.0556 10.1206 -51.6069 51.1116 -51.607 35.871 GPRESSAVG: 1097600 -83.6739 -53.9831 49.7647 -51.5628 10.6209 -50.6677 51.2279 -50.0158 36.5607 TIMING: 1097600 CPU: 3257.16, 0.00298828/step Wall: 3257.16, 0.00298828/step, 3.2393 hours remaining, 206.765625 MB of memory in use. ENERGY: 1097600 735.2816 2077.3944 1942.9956 111.6273 -206176.0617 17807.8335 0.0000 0.0000 34106.7095 -149394.2198 297.8624 -183500.9293 -149292.3783 298.7613 31.4644 66.8564 557513.2843 -12.3804 -12.1641 PRESSURE: 1097800 -55.9689 18.7399 -66.7848 18.7389 -144.247 -91.5141 -66.7841 -91.5141 -16.0783 GPRESSURE: 1097800 -68.4611 45.8364 -157.334 57.1147 -101.892 -11.6496 -69.142 -10.6864 48.517 PRESSAVG: 1097800 -37.9766 13.8981 34.1245 13.8981 -3.00792 15.0723 34.1245 15.0724 52.4099 GPRESSAVG: 1097800 -37.5995 13.602 35.6398 13.0127 -3.77575 14.2265 34.0384 15.6101 52.9635 TIMING: 1097800 CPU: 3257.76, 0.00298554/step Wall: 3257.76, 0.00298554/step, 3.23616 hours remaining, 206.765625 MB of memory in use. ENERGY: 1097800 750.9143 2129.0455 1903.5295 125.8549 -206298.9950 17921.9651 0.0000 0.0000 34008.0263 -149459.6594 297.0006 -183467.6856 -149363.3712 298.4447 -72.0981 -40.6120 558309.9855 3.8085 3.8627 PRESSURE: 1098000 -34.881 19.1531 68.3576 19.1539 -133.784 -24.3845 68.3571 -24.3879 -161.657 GPRESSURE: 1098000 27.2812 -24.6522 103.869 7.17069 -102.561 -34.0724 -50.982 19.3593 -172.619 PRESSAVG: 1098000 -1.60241 27.9988 -3.78217 27.9988 0.21041 1.04146 -3.78217 1.04156 -18.7517 GPRESSAVG: 1098000 -2.1505 27.4335 -5.78292 29.7442 0.728587 -0.224315 -4.03493 0.221105 -18.4555 TIMING: 1098000 CPU: 3258.35, 0.00296038/step Wall: 3258.35, 0.00296038/step, 3.20872 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: 1098000 729.8480 2126.2772 1905.1421 109.1270 -206039.1778 17633.2230 0.0000 0.0000 34104.8404 -149430.7200 297.8461 -183535.5604 -149333.7244 298.1296 -110.1073 -82.6327 558646.4133 -6.7146 -6.6258 PRESSURE: 1098200 -49.4272 6.29021 -97.813 6.29129 53.7024 -208.528 -97.8131 -208.527 110.934 GPRESSURE: 1098200 -32.9365 -7.78792 -74.8778 -23.266 87.4552 -208.734 -31.6792 -206.699 151.802 PRESSAVG: 1098200 93.5872 25.9845 12.0864 25.9846 -62.2253 -37.5973 12.0864 -37.5973 -62.2728 GPRESSAVG: 1098200 92.638 26.5394 12.0428 25.4086 -61.7267 -36.1745 14.8459 -37.1624 -62.1599 TIMING: 1098200 CPU: 3258.95, 0.00296073/step Wall: 3258.95, 0.00296073/step, 3.20894 hours remaining, 206.765625 MB of memory in use. ENERGY: 1098200 730.2622 2042.3586 1913.3890 117.3938 -206030.1029 17771.7449 0.0000 0.0000 34078.6773 -149376.2772 297.6176 -183454.9544 -149277.4161 298.5133 38.4031 68.7737 557055.9859 -10.3036 -10.4162 PRESSURE: 1098400 160.797 44.4488 -76.0343 44.4489 -97.4172 -205.939 -76.0348 -205.94 -183.787 GPRESSURE: 1098400 258.556 7.91137 -103.346 126.873 -107.498 -233.629 2.93491 -104.158 -177.013 PRESSAVG: 1098400 30.6074 -11.6544 -46.5532 -11.6544 -7.79917 -0.631363 -46.5531 -0.631323 -2.57192 GPRESSAVG: 1098400 30.8406 -11.859 -44.1984 -11.4187 -8.66079 -1.00263 -47.8922 0.651205 -1.55509 TIMING: 1098400 CPU: 3259.54, 0.00296225/step Wall: 3259.54, 0.00296225/step, 3.21042 hours remaining, 206.765625 MB of memory in use. ENERGY: 1098400 736.9340 2051.1961 1948.2267 109.0807 -206344.9135 17781.8099 0.0000 0.0000 34345.6134 -149372.0528 299.9488 -183717.6662 -149278.4119 297.9625 -40.1356 -8.6513 558652.9000 6.7454 6.8749 PRESSURE: 1098600 -61.6875 -167.954 -34.9428 -167.956 152.664 57.8084 -34.9443 57.8067 60.3184 GPRESSURE: 1098600 9.74642 -133.528 -54.6656 -193.996 196.547 87.2054 -1.59175 12.8401 26.6298 PRESSAVG: 1098600 23.9065 13.636 2.24635 13.6359 2.67347 -12.8186 2.24635 -12.8186 -37.0419 GPRESSAVG: 1098600 25.2354 13.3782 1.77411 13.9313 2.06625 -12.3752 -0.113488 -13.1384 -37.864 TIMING: 1098600 CPU: 3260.14, 0.00299273/step Wall: 3260.14, 0.00299273/step, 3.24329 hours remaining, 206.765625 MB of memory in use. ENERGY: 1098600 724.0678 2044.3775 1937.7547 108.2805 -206086.0426 17889.4755 0.0000 0.0000 34072.6464 -149309.4403 297.5649 -183382.0867 -149216.0419 298.5271 50.4318 77.6411 558264.9245 -3.4873 -3.5208 PRESSURE: 1098800 -231.566 -48.3954 115.271 -48.3942 -212.872 -64.7414 115.271 -64.7415 -77.4982 GPRESSURE: 1098800 -189.212 -53.7158 215.611 -52.3899 -176.036 -134.156 140.062 6.76292 -51.5782 PRESSAVG: 1098800 21.5454 3.00644 54.9245 3.00637 34.0278 15.8022 54.9244 15.8022 -76.5013 GPRESSAVG: 1098800 21.353 3.4209 53.6642 2.87348 36.2419 13.6285 58.6629 16.3015 -78.1148 TIMING: 1098800 CPU: 3260.74, 0.00302455/step Wall: 3260.74, 0.00302455/step, 3.27761 hours remaining, 206.765625 MB of memory in use. ENERGY: 1098800 724.5085 2052.6145 1919.0332 117.0744 -205779.3103 17492.2651 0.0000 0.0000 34271.8266 -149201.9881 299.3044 -183473.8147 -149097.9732 298.7822 -173.9785 -138.9421 558700.1689 -6.9761 -6.8400 PRESSURE: 1099000 -126.583 -21.1395 -185.6 -21.1388 -13.1541 -34.3795 -185.6 -34.3807 -287.792 GPRESSURE: 1099000 -104.007 -70.0117 -94.2161 -46.6252 -43.3047 -81.5933 -172.613 -21.9664 -170.126 PRESSAVG: 1099000 25.0281 35.5997 29.6359 35.5996 15.0387 19.2875 29.6358 19.2875 -37.598 GPRESSAVG: 1099000 25.4077 35.0583 31.8431 36.6383 12.8478 19.1374 26.7648 15.5771 -35.7996 TIMING: 1099000 CPU: 3261.34, 0.00297967/step Wall: 3261.34, 0.00297967/step, 3.22881 hours remaining, 206.765625 MB of memory in use. ENERGY: 1099000 762.1208 2042.8020 1919.4067 114.3217 -205789.2672 17756.9959 0.0000 0.0000 34134.5238 -149059.0963 298.1053 -183193.6202 -148968.4504 299.2231 -142.5099 -105.8124 558761.1270 0.8229 0.8187 PRESSURE: 1099200 -44.5598 -154.844 -67.1306 -154.846 169.749 102.576 -67.1299 102.576 32.2773 GPRESSURE: 1099200 -31.6749 -202.177 -101.964 -99.245 242.043 166.232 -88.9648 130.12 50.5172 PRESSAVG: 1099200 53.9571 18.9616 -31.5675 18.9616 -12.5709 20.1133 -31.5675 20.1133 2.38389 GPRESSAVG: 1099200 52.2692 19.335 -32.3607 18.2801 -10.7271 21.8731 -31.8183 21.3531 1.60038 TIMING: 1099200 CPU: 3261.93, 0.00296999/step Wall: 3261.93, 0.00296999/step, 3.21814 hours remaining, 206.765625 MB of memory in use. ENERGY: 1099200 756.0839 2093.4173 1934.4231 117.6976 -205954.4792 17829.9839 0.0000 0.0000 34226.0082 -148996.8653 298.9042 -183222.8735 -148900.3752 300.0611 52.4889 86.9616 557926.2205 14.5900 14.3808 PRESSURE: 1099400 -61.2029 101.504 12.0962 101.503 -63.4474 -82.1669 12.0954 -82.1666 -145.427 GPRESSURE: 1099400 -82.0904 177.496 -23.5194 116.523 -34.3474 -131.623 88.7598 -76.377 -58.4477 PRESSAVG: 1099400 -6.40026 17.7576 -41.2487 17.7576 16.3389 -27.6295 -41.2487 -27.6294 26.6587 GPRESSAVG: 1099400 -4.93232 16.9967 -42.2334 16.9261 15.7757 -28.1699 -40.3533 -26.4756 26.1983 TIMING: 1099400 CPU: 3262.53, 0.00298345/step Wall: 3262.53, 0.00298345/step, 3.23257 hours remaining, 206.765625 MB of memory in use. ENERGY: 1099400 737.2088 2036.8743 1944.1024 123.8091 -205821.3490 17632.2684 0.0000 0.0000 34429.6213 -148917.4647 300.6824 -183347.0860 -148817.7899 300.0221 -90.0259 -58.2952 557746.3778 12.1991 12.3473 PRESSURE: 1099600 -103.093 -37.9754 54.0343 -37.975 4.50688 136.438 54.036 136.438 146.117 GPRESSURE: 1099600 -15.6644 -25.2218 26.8777 -6.11357 51.1624 66.7308 69.6195 160.506 107.833 PRESSAVG: 1099600 -8.85818 9.46747 13.2153 9.4675 19.65 17.3614 13.2153 17.3614 -13.7726 GPRESSAVG: 1099600 -9.22162 9.39631 16.0593 10.8173 19.2837 16.1536 13.9197 18.9068 -13.207 TIMING: 1099600 CPU: 3263.12, 0.00295577/step Wall: 3263.12, 0.00295577/step, 3.20241 hours remaining, 206.765625 MB of memory in use. ENERGY: 1099600 693.8707 2028.0954 1965.4046 120.6306 -205601.1238 17494.2623 0.0000 0.0000 34394.6577 -148904.2024 300.3771 -183298.8601 -148810.5092 299.5930 15.8435 47.7770 557675.2618 -0.9936 -1.0483 PRESSURE: 1099800 96.8131 154.197 -79.445 154.197 -186.767 150.708 -79.4442 150.71 270.179 GPRESSURE: 1099800 88.2043 87.3825 -33.7994 206.287 -124.228 127.159 -101.299 116.58 307.293 PRESSAVG: 1099800 14.3856 -12.6479 -16.1843 -12.6479 -29.0441 -9.22104 -16.1843 -9.22109 -22.5098 GPRESSAVG: 1099800 14.3254 -11.674 -19.0125 -12.8999 -28.9377 -6.66437 -18.1222 -11.0357 -22.4666 TIMING: 1099800 CPU: 3263.72, 0.00300908/step Wall: 3263.72, 0.00300908/step, 3.26 hours remaining, 206.765625 MB of memory in use. ENERGY: 1099800 746.0936 2099.0181 1931.2078 113.1092 -206114.0535 17825.4878 0.0000 0.0000 34171.8356 -149227.3015 298.4311 -183399.1370 -149127.3691 299.0576 60.0749 90.4229 555916.8900 -12.3894 -12.3596 PRESSURE: 1100000 -185.761 9.82193 -30.2535 9.82358 -143.085 1.68 -30.2545 1.68022 -173.308 GPRESSURE: 1100000 -172.841 -12.0938 27.6427 51.8853 -101.758 29.1594 4.814 10.0347 -124.405 PRESSAVG: 1100000 -1.25285 32.0998 -1.20687 32.0997 -29.0268 -13.442 -1.20691 -13.442 16.294 GPRESSAVG: 1100000 -0.308482 33.1869 -2.10404 31.8717 -29.1811 -16.0119 -0.693901 -11.1476 15.5084 TIMING: 1100000 CPU: 3264.32, 0.00296854/step Wall: 3264.32, 0.00296854/step, 3.21592 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: 1100000 739.8076 2103.1425 1930.0631 100.8078 -205703.9695 17416.3703 0.0000 0.0000 34111.7180 -149302.0601 297.9061 -183413.7781 -149211.8489 298.2961 -167.3847 -133.0014 557025.0605 -4.6619 -4.6604 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1100000 WRITING COORDINATES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1100200 -134.339 -175.213 -1.30495 -175.214 -183.159 19.4818 -1.30426 19.48 -51.7005 GPRESSURE: 1100200 -175.055 -242.1 -25.7079 -154.905 -82.5549 23.5156 29.0995 -22.7606 -15.3528 PRESSAVG: 1100200 -57.693 -34.1072 29.3608 -34.1072 -19.2397 22.3649 29.3608 22.3649 46.0299 GPRESSAVG: 1100200 -58.2213 -33.5751 31.1629 -35.6329 -19.2711 23.1343 30.6605 21.8868 46.4802 TIMING: 1100200 CPU: 3264.93, 0.00305083/step Wall: 3264.93, 0.00305083/step, 3.3049 hours remaining, 206.765625 MB of memory in use. ENERGY: 1100200 710.0642 2083.9687 1901.5436 117.5372 -205725.8678 17444.7988 0.0000 0.0000 34172.1107 -149295.8447 298.4335 -183467.9554 -149196.1745 299.0371 -123.0663 -90.9876 557241.6095 -10.3009 -10.3374 LDB: ============= START OF LOAD BALANCING ============== 3268.35 LDB: ============== END OF LOAD BALANCING =============== 3268.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3268.35 LDB: ============= START OF LOAD BALANCING ============== 3268.65 LDB: Largest compute 4821 load 0.028196 is 23.9% of average load 0.117906 LDB: Average compute 0.001722 is 1.5% of average load 0.117906 LDB: TIME 3268.65 LOAD: AVG 0.117906 MAX 0.197508 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.551 MB LDB: TIME 3268.65 LOAD: AVG 0.117906 MAX 0.197508 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.551 MB LDB: TIME 3268.65 LOAD: AVG 0.117906 MAX 0.197508 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.551 MB LDB: ============== END OF LOAD BALANCING =============== 3268.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3268.66 PRESSURE: 1100400 -55.9537 -89.9971 30.4519 -89.9988 -47.6995 8.86151 30.4518 8.86255 -59.3496 GPRESSURE: 1100400 -33.9569 44.987 7.08144 -41.7516 -6.89438 -20.5331 107.256 40.8573 -27.3577 PRESSAVG: 1100400 -34.3377 -53.661 50.81 -53.661 -11.8128 -22.0848 50.81 -22.0848 49.8355 GPRESSAVG: 1100400 -35.1435 -53.6888 50.9887 -53.691 -11.9115 -23.2902 49.5106 -21.921 50.6716 TIMING: 1100400 CPU: 3265.53, 0.00301816/step Wall: 3265.53, 0.00301816/step, 3.26934 hours remaining, 206.765625 MB of memory in use. ENERGY: 1100400 764.3584 2061.5272 1936.1675 104.4503 -206137.9663 17820.2157 0.0000 0.0000 34240.8446 -149210.4025 299.0338 -183451.2471 -149115.3061 298.6777 -54.3343 -22.7363 557615.1513 1.2283 1.2055 PRESSURE: 1100600 -50.0912 -14.5038 26.7104 -14.5036 -25.7722 7.26345 26.7107 7.26574 53.9853 GPRESSURE: 1100600 -32.4425 -52.5938 -22.4659 42.0258 -3.12594 40.8159 -13.0918 -10.756 115.638 PRESSAVG: 1100600 -48.6944 -20.9297 -5.36037 -20.9296 -2.93469 38.3448 -5.36032 38.3449 68.0755 GPRESSAVG: 1100600 -47.4174 -21.5073 -6.44217 -20.604 -2.88302 38.0826 -4.07063 38.6693 66.7238 TIMING: 1100600 CPU: 3266.13, 0.00298599/step Wall: 3266.13, 0.00298599/step, 3.23433 hours remaining, 206.835938 MB of memory in use. ENERGY: 1100600 728.4844 2129.2014 1958.2531 98.6581 -206422.1586 17920.5271 0.0000 0.0000 34471.7559 -149115.2786 301.0504 -183587.0345 -149024.0696 299.8072 -7.2927 26.6898 556851.7109 5.4821 5.4745 PRESSURE: 1100800 53.799 -113.121 -20.5001 -113.119 287.589 -131 -20.5003 -131 -215.804 GPRESSURE: 1100800 73.3508 -126.862 6.39135 -113.528 299.399 -112.278 -9.93946 -183.715 -145.831 PRESSAVG: 1100800 -17.8614 -2.63918 -4.16992 -2.63918 52.7708 -11.6614 -4.16978 -11.6613 -24.1902 GPRESSAVG: 1100800 -18.1517 -3.54592 -5.4889 -1.82834 50.9236 -9.04927 -3.93144 -13.4671 -22.4887 TIMING: 1100800 CPU: 3266.73, 0.00300048/step Wall: 3266.73, 0.00300048/step, 3.24985 hours remaining, 206.835938 MB of memory in use. ENERGY: 1100800 722.4295 2072.3655 1947.5564 111.9308 -206410.3243 17941.2555 0.0000 0.0000 34281.5937 -149333.1929 299.3897 -183614.7865 -149238.5598 299.2269 41.8612 75.6396 557698.9443 3.5731 3.4277 PRESSURE: 1101000 243.087 -120.086 -12.5845 -120.085 97.7116 77.2774 -12.5846 77.2774 31.4636 GPRESSURE: 1101000 249.78 -148.524 -73.5334 -36.7053 159.213 -2.99768 -14.0922 116.748 45.6967 PRESSAVG: 1101000 -4.51596 21.003 -16.2897 21.003 30.0217 -6.03549 -16.2896 -6.03538 4.19924 GPRESSAVG: 1101000 -4.18007 21.1082 -15.6481 21.6593 31.2315 -7.32915 -17.4685 -4.27017 2.74431 TIMING: 1101000 CPU: 3267.32, 0.00297588/step Wall: 3267.32, 0.00297588/step, 3.22304 hours remaining, 206.835938 MB of memory in use. ENERGY: 1101000 714.0502 2032.9678 1933.1558 109.5306 -206455.1811 18078.8174 0.0000 0.0000 34163.0046 -149423.6548 298.3540 -183586.6593 -149333.6206 298.8030 124.0875 151.5633 557984.5358 9.9017 9.9319 PRESSURE: 1101200 -154.296 -73.0168 75.3101 -73.0152 -30.6418 8.8937 75.309 8.89531 -146.246 GPRESSURE: 1101200 -91.8504 -9.49397 -9.86554 -110.756 -38.9204 -12.3653 116.634 14.6343 -98.892 PRESSAVG: 1101200 -7.98212 -16.8378 -17.2634 -16.8378 -36.345 -14.4032 -17.2634 -14.4031 54.573 GPRESSAVG: 1101200 -8.10065 -15.7712 -16.7279 -17.5106 -36.358 -14.6625 -14.9086 -14.0393 53.9554 TIMING: 1101200 CPU: 3267.91, 0.00295795/step Wall: 3267.91, 0.00295795/step, 3.20346 hours remaining, 206.835938 MB of memory in use. ENERGY: 1101200 698.9358 2101.7294 1922.0779 103.4355 -206238.0187 17834.8388 0.0000 0.0000 34229.9803 -149347.0211 298.9389 -183577.0013 -149248.0159 298.8317 -110.3946 -76.5543 560033.1497 3.4153 3.1656 PRESSURE: 1101400 -29.8868 107.42 -25.4628 107.42 -15.3301 -109.492 -25.4605 -109.493 -236.44 GPRESSURE: 1101400 -26.6196 181.955 37.038 38.6338 11.2173 -49.6893 -76.3068 -134.74 -170.372 PRESSAVG: 1101400 11.7547 -14.4807 56.5623 -14.4806 -72.8683 -56.6471 56.5624 -56.6471 83.0107 GPRESSAVG: 1101400 12.2235 -14.6293 56.3829 -16.9182 -73.9644 -55.0929 54.6744 -57.685 82.9113 TIMING: 1101400 CPU: 3268.51, 0.00297242/step Wall: 3268.51, 0.00297242/step, 3.21896 hours remaining, 206.835938 MB of memory in use. ENERGY: 1101400 774.7360 2089.6459 1924.6855 104.6308 -205994.2056 17716.4933 0.0000 0.0000 34128.9647 -149255.0495 298.0567 -183384.0142 -149162.9291 298.8672 -93.8855 -61.9247 558451.1697 7.2990 7.0568 PRESSURE: 1101600 102.075 -51.3263 78.5249 -51.3265 181.923 -75.7581 78.5245 -75.7581 94.8892 GPRESSURE: 1101600 139.063 -67.556 157.727 -52.2385 220.396 8.04826 -34.2163 -77.6284 117.951 PRESSAVG: 1101600 4.62745 11.63 -46.2434 11.63 -21.9707 -56.888 -46.2434 -56.888 5.14915 GPRESSAVG: 1101600 3.5735 10.6303 -46.1735 13.6827 -21.474 -57.4192 -47.2039 -55.5607 6.03246 TIMING: 1101600 CPU: 3269.11, 0.00302275/step Wall: 3269.11, 0.00302275/step, 3.2733 hours remaining, 206.835938 MB of memory in use. ENERGY: 1101600 788.5273 2074.7434 1937.0169 111.3232 -206518.4224 18025.4412 0.0000 0.0000 34331.7087 -149249.6618 299.8274 -183581.3705 -149147.8025 299.3049 126.2956 159.1365 557271.0982 -4.0647 -3.9560 PRESSURE: 1101800 -42.8728 -54.8136 -68.0945 -54.8133 -137.368 175.329 -68.0964 175.33 -30.5772 GPRESSURE: 1101800 36.3988 25.2974 -65.8354 -69.8392 -125.878 81.1886 -72.0902 180.276 -24.3078 PRESSAVG: 1101800 77.8385 16.4617 24.7327 16.4618 11.9476 8.19066 24.7328 8.19067 -71.8172 GPRESSAVG: 1101800 78.2208 18.1593 23.672 15.0412 11.6125 7.05126 24.8463 8.52274 -72.1304 TIMING: 1101800 CPU: 3269.72, 0.00301381/step Wall: 3269.72, 0.00301381/step, 3.26345 hours remaining, 206.835938 MB of memory in use. ENERGY: 1101800 773.3210 2058.9185 1911.4593 114.0565 -206215.7243 17807.7651 0.0000 0.0000 34230.0608 -149320.1431 298.9396 -183550.2040 -149223.6137 299.1689 -70.2728 -37.9290 557190.4265 5.9896 5.9009 PRESSURE: 1102000 -92.4408 -38.8794 34.0684 -38.8799 107.373 126.189 34.0682 126.188 -419.147 GPRESSURE: 1102000 -52.9901 34.3079 43.9663 -5.14285 129.331 155.376 74.7092 71.6269 -380.144 PRESSAVG: 1102000 38.3903 -6.34711 -19.5497 -6.347 -31.6622 -42.0549 -19.5497 -42.0548 -3.58763 GPRESSAVG: 1102000 38.4507 -7.12626 -17.8896 -6.53992 -32.3055 -40.6354 -19.7114 -42.0099 -3.0607 TIMING: 1102000 CPU: 3270.32, 0.00300248/step Wall: 3270.32, 0.00300248/step, 3.25102 hours remaining, 206.835938 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: 1102000 779.6789 2075.6718 1935.4761 121.6601 -206287.3538 17758.6936 0.0000 0.0000 34473.4632 -149142.7101 301.0653 -183616.1733 -149040.7034 299.7453 -134.7381 -101.2677 558046.2111 1.0468 1.0281 PRESSURE: 1102200 -86.2973 -39.33 97.2879 -39.3292 -76.5971 -147.304 97.2893 -147.303 -164.806 GPRESSURE: 1102200 -47.8819 -26.0849 87.1681 -45.3337 -92.0991 -120.397 117.019 -136.823 -85.6302 PRESSAVG: 1102200 0.612623 -18.9891 0.872744 -18.9891 -47.5405 18.0133 0.872823 18.0133 42.181 GPRESSAVG: 1102200 -0.724838 -19.3354 1.60315 -18.647 -45.9728 14.7219 0.102847 19.3441 41.6932 TIMING: 1102200 CPU: 3270.92, 0.00301835/step Wall: 3270.92, 0.00301835/step, 3.26804 hours remaining, 206.835938 MB of memory in use. ENERGY: 1102200 748.3869 2101.7758 1953.9752 117.4043 -206311.6486 17671.0724 0.0000 0.0000 34475.9266 -149243.1075 301.0868 -183719.0340 -149141.0318 299.6335 -109.2336 -75.2037 556032.7349 -1.5823 -1.6681 PRESSURE: 1102400 -292.162 28.4102 177.794 28.4112 -244.368 121.928 177.793 121.926 -431.14 GPRESSURE: 1102400 -279.914 27.7887 182.898 -24.2136 -177.909 28.0652 195.266 189.596 -410.599 PRESSAVG: 1102400 -4.19922 6.17872 -6.48302 6.17868 6.14186 -3.46768 -6.48304 -3.46768 22.8675 GPRESSAVG: 1102400 -3.90693 5.38244 -7.33547 9.14068 6.35987 -0.398413 -6.06744 -3.542 23.196 TIMING: 1102400 CPU: 3271.52, 0.00301426/step Wall: 3271.52, 0.00301426/step, 3.26344 hours remaining, 206.835938 MB of memory in use. ENERGY: 1102400 800.8502 2093.2720 1950.6376 115.7171 -205570.5476 17367.3102 0.0000 0.0000 34152.7520 -149090.0085 298.2645 -183242.7605 -148998.2818 299.7044 -322.5570 -289.4739 558402.3425 8.2700 8.5497 PRESSURE: 1102600 18.8995 -34.0157 -73.9244 -34.0168 -66.3353 -128.235 -73.9254 -128.236 -268.777 GPRESSURE: 1102600 61.7337 15.6212 -34.8362 29.1415 -63.207 -16.0607 -158.304 -99.6468 -211.572 PRESSAVG: 1102600 -38.4884 2.77692 -55.6365 2.77686 9.69842 15.0371 -55.6366 15.037 9.16531 GPRESSAVG: 1102600 -37.7544 2.47916 -57.0269 -0.0154738 8.82754 13.8281 -55.113 14.2151 10.0905 TIMING: 1102600 CPU: 3272.12, 0.00296843/step Wall: 3272.12, 0.00296843/step, 3.21365 hours remaining, 206.835938 MB of memory in use. ENERGY: 1102600 788.8585 2125.8830 1939.7450 107.4252 -206350.9870 17807.2164 0.0000 0.0000 34320.9822 -149260.8766 299.7337 -183581.8589 -149156.7067 299.6565 -105.4044 -71.0149 556338.2433 -6.5416 -6.2788 PRESSURE: 1102800 -39.7477 -70.7364 35.3006 -70.7364 -149.834 -114.751 35.3008 -114.751 134.826 GPRESSURE: 1102800 3.57768 -86.4578 84.047 -70.7383 -125.116 -103.677 -55.7476 -157.762 161.347 PRESSAVG: 1102800 20.7268 -27.7059 5.02556 -27.7058 38.4736 8.18309 5.02561 8.18317 -12.3458 GPRESSAVG: 1102800 22.0978 -28.9336 5.79533 -26.869 39.6831 7.58037 2.76166 8.92848 -14.8577 TIMING: 1102800 CPU: 3272.71, 0.00298676/step Wall: 3272.71, 0.00298676/step, 3.23334 hours remaining, 206.835938 MB of memory in use. ENERGY: 1102800 772.2998 2090.5817 1943.8063 101.5050 -206087.7409 17821.9626 0.0000 0.0000 34002.1248 -149355.4608 296.9490 -183357.5856 -149264.8201 299.1815 -18.2520 13.2694 557214.9149 15.6182 15.6411 PRESSURE: 1103000 156.314 -30.562 35.9062 -30.5605 79.7034 -139.084 35.9075 -139.084 2.09187 GPRESSURE: 1103000 161.936 -7.27221 -12.6685 -43.5905 132.108 -186.665 74.2324 -50.1898 47.6037 PRESSAVG: 1103000 -51.046 15.3719 33.5064 15.3718 19.7692 -13.9854 33.5064 -13.9852 47.4839 GPRESSAVG: 1103000 -51.6368 16.9084 32.2379 14.8187 20.9379 -12.3005 35.1146 -15.4562 47.7095 TIMING: 1103000 CPU: 3273.31, 0.00297351/step Wall: 3273.31, 0.00297351/step, 3.21883 hours remaining, 206.835938 MB of memory in use. ENERGY: 1103000 731.5158 2138.1297 1938.3756 118.5206 -206406.3152 17951.7251 0.0000 0.0000 34278.7328 -149249.3156 299.3647 -183528.0484 -149158.6535 299.2244 79.3699 113.8828 556725.0957 5.4024 5.6702 PRESSURE: 1103200 -226.528 -27.6003 69.274 -27.6002 -400.334 -165.045 69.274 -165.043 -59.5989 GPRESSURE: 1103200 -162.429 -61.3412 151.279 -36.5274 -348.718 -83.803 -4.41722 -199.513 -80.3915 PRESSAVG: 1103200 -9.31902 -52.5612 31.3918 -52.5612 14.3713 -46.2565 31.3918 -46.2564 -34.2645 GPRESSAVG: 1103200 -9.15279 -52.6495 32.8557 -51.5281 13.9299 -46.7225 30.6543 -46.514 -33.95 TIMING: 1103200 CPU: 3273.9, 0.00298246/step Wall: 3273.9, 0.00298246/step, 3.22834 hours remaining, 206.835938 MB of memory in use. ENERGY: 1103200 756.6619 2081.9477 1938.8970 101.5084 -205879.9673 17279.8106 0.0000 0.0000 34451.5881 -149269.5536 300.8743 -183721.1417 -149172.6202 300.0744 -228.8202 -197.1794 555075.9966 -9.7374 -9.7243 PRESSURE: 1103400 -13.2648 -77.5471 -64.2384 -77.5472 28.1515 176.724 -64.2408 176.725 104.275 GPRESSURE: 1103400 16.9794 -136.738 12.5497 -143.711 57.8612 153.289 -93.0552 198.545 141.448 PRESSAVG: 1103400 82.6208 -27.3192 -0.516922 -27.3192 31.4942 73.1894 -0.516918 73.1894 -86.2598 GPRESSAVG: 1103400 82.9587 -27.2479 -1.99936 -28.4836 30.9191 73.8432 0.438331 75.3862 -85.3622 TIMING: 1103400 CPU: 3274.5, 0.00296713/step Wall: 3274.5, 0.00296713/step, 3.21158 hours remaining, 206.835938 MB of memory in use. ENERGY: 1103400 761.5329 2075.9171 1925.7344 111.2251 -206422.2049 17995.1857 0.0000 0.0000 34223.2581 -149329.3517 298.8802 -183552.6098 -149237.6382 299.4153 39.7206 72.0962 556020.0210 9.2850 9.5052 PRESSURE: 1103600 -26.0065 -169.239 121.811 -169.239 68.024 64.3625 121.81 64.3633 -394.903 GPRESSURE: 1103600 -39.4012 -154.262 133.797 -142.009 83.037 44.9427 75.5066 -24.6142 -308.273 PRESSAVG: 1103600 -22.0204 -32.3825 25.1149 -32.3826 119.611 -2.49037 25.1149 -2.49026 -91.0592 GPRESSAVG: 1103600 -22.0179 -29.9502 25.9289 -33.7128 119.835 -2.38924 25.1415 -5.3118 -91.0185 TIMING: 1103600 CPU: 3275.09, 0.00296884/step Wall: 3275.09, 0.00296884/step, 3.21327 hours remaining, 206.835938 MB of memory in use. ENERGY: 1103600 731.0070 2070.2706 1936.1150 105.6033 -206224.8217 17627.5463 0.0000 0.0000 34470.1746 -149284.1050 301.0366 -183754.2795 -149191.3822 299.2157 -117.6284 -88.2124 556490.7416 2.1771 2.2661 PRESSURE: 1103800 -293.682 -58.6949 54.6897 -58.6938 -3.90226 -86.8778 54.6902 -86.8803 -516.42 GPRESSURE: 1103800 -299.155 -91.5102 17.0089 -32.0279 16.4364 -47.9181 124.912 -68.9589 -432.335 PRESSAVG: 1103800 18.717 -39.5136 29.986 -39.5136 69.4568 -32.1167 29.9859 -32.1166 -77.0796 GPRESSAVG: 1103800 18.9591 -41.249 28.654 -38.1388 69.1804 -33.1615 30.266 -31.213 -77.0452 TIMING: 1103800 CPU: 3275.69, 0.00296855/step Wall: 3275.69, 0.00296855/step, 3.2128 hours remaining, 206.835938 MB of memory in use. ENERGY: 1103800 740.6150 2119.4178 1945.8938 115.1385 -205669.6192 17423.6577 0.0000 0.0000 33980.8428 -149344.0536 296.7632 -183324.8963 -149251.8091 299.2664 -271.3344 -238.3510 557382.3073 3.6981 3.6981 PRESSURE: 1104000 -211.071 20.6204 -141.489 20.6192 -79.1933 -96.2895 -141.489 -96.2899 67.9207 GPRESSURE: 1104000 -144.961 101.23 -101.326 6.61075 -64.9802 -12.9119 -106.597 -165.9 87.7384 PRESSAVG: 1104000 -62.8375 -47.0268 -24.1435 -47.0269 76.4187 -42.9119 -24.1436 -42.9119 -0.421536 GPRESSAVG: 1104000 -63.1011 -47.3478 -24.3762 -46.8986 77.6132 -43.4548 -22.392 -39.636 -1.10671 TIMING: 1104000 CPU: 3276.28, 0.0029619/step Wall: 3276.28, 0.0029619/step, 3.20543 hours remaining, 206.835938 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: 1104000 739.0236 2126.9693 1949.6616 103.0754 -206279.9221 17812.5247 0.0000 0.0000 34218.6451 -149330.0225 298.8399 -183548.6675 -149233.8707 298.8471 -74.1144 -40.7342 557402.7246 4.3866 4.4685 PRESSURE: 1104200 98.8165 -33.6609 -90.3686 -33.661 -323.907 -72.7205 -90.3686 -72.7204 -52.5268 GPRESSURE: 1104200 85.4914 -70.394 -60.4312 51.9454 -286.192 -129.502 -130.314 -64.467 14.7401 PRESSAVG: 1104200 -2.54096 15.1563 12.681 15.1564 -26.8687 -67.6416 12.6811 -67.6416 40.4276 GPRESSAVG: 1104200 -3.67241 14.875 14.7781 14.6623 -26.8081 -68.2994 10.3429 -69.8121 40.7295 TIMING: 1104200 CPU: 3276.87, 0.00297163/step Wall: 3276.87, 0.00297163/step, 3.2158 hours remaining, 206.835938 MB of memory in use. ENERGY: 1104200 769.8590 2079.3612 1957.2330 121.3688 -205785.0960 17652.4798 0.0000 0.0000 34069.5188 -149135.2754 297.5376 -183204.7942 -149039.2373 298.7532 -92.5393 -61.9867 556156.0234 3.6726 3.4163 LDB: ============= START OF LOAD BALANCING ============== 3280.3 LDB: ============== END OF LOAD BALANCING =============== 3280.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3280.3 LDB: ============= START OF LOAD BALANCING ============== 3280.6 LDB: Largest compute 4820 load 0.027843 is 23.6% of average load 0.117815 LDB: Average compute 0.001725 is 1.5% of average load 0.117815 LDB: TIME 3280.6 LOAD: AVG 0.117815 MAX 0.196654 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.477 MB LDB: TIME 3280.6 LOAD: AVG 0.117815 MAX 0.196654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: TIME 3280.6 LOAD: AVG 0.117815 MAX 0.196654 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.547 MB LDB: ============== END OF LOAD BALANCING =============== 3280.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3280.61 PRESSURE: 1104400 -114.518 30.6185 -157.004 30.6176 55.9024 -213.922 -157.004 -213.924 -209.039 GPRESSURE: 1104400 -34.8907 -13.3114 -153.325 36.1949 36.6634 -219.27 -152.54 -241.926 -172.699 PRESSAVG: 1104400 10.2857 50.5592 43.3714 50.5592 13.5636 -57.7451 43.3714 -57.7452 28.1067 GPRESSAVG: 1104400 11.4535 48.3148 42.383 53.268 11.7037 -54.6972 44.1138 -59.798 28.3499 TIMING: 1104400 CPU: 3277.48, 0.0030365/step Wall: 3277.48, 0.0030365/step, 3.28583 hours remaining, 205.222656 MB of memory in use. ENERGY: 1104400 738.0907 2144.7772 1920.9750 106.3939 -206040.1960 17596.8102 0.0000 0.0000 34294.0467 -149239.1023 299.4984 -183533.1490 -149143.0369 299.5450 -89.2183 -56.9753 558528.7905 17.3187 17.1690 PRESSURE: 1104600 -48.4216 81.5788 36.7846 81.5789 -166.643 28.8205 36.7847 28.8207 -166.928 GPRESSURE: 1104600 34.4544 130.698 94.4549 -2.37356 -192.858 -32.3804 -25.8297 57.2105 -108.561 PRESSAVG: 1104600 -1.60559 1.4913 -18.052 1.4913 61.0795 -0.532819 -18.052 -0.532814 -17.506 GPRESSAVG: 1104600 -2.9314 3.07829 -17.6559 -0.122659 62.5372 -3.08644 -18.0258 0.918486 -17.6155 TIMING: 1104600 CPU: 3278.07, 0.00296238/step Wall: 3278.07, 0.00296238/step, 3.20546 hours remaining, 205.222656 MB of memory in use. ENERGY: 1104600 758.4558 2050.1074 1917.1190 110.7509 -205844.4743 17709.8943 0.0000 0.0000 34075.0258 -149223.1211 297.5857 -183298.1469 -149137.8557 299.1594 -127.3308 -88.9882 558979.8177 13.9893 13.9968 PRESSURE: 1104800 -279.18 119.194 -16.4663 119.193 -16.6361 -59.6958 -16.4674 -59.6925 57.0786 GPRESSURE: 1104800 -235.9 100.13 -97.011 138.102 6.01018 -136.436 28.4264 -27.4631 86.8386 PRESSAVG: 1104800 16.9191 62.1552 9.04314 62.1552 -38.0869 0.923219 9.04318 0.923292 33.9839 GPRESSAVG: 1104800 18.055 65.2941 8.392 59.9978 -39.0097 1.56211 7.20446 0.0255577 33.7271 TIMING: 1104800 CPU: 3278.67, 0.00297553/step Wall: 3278.67, 0.00297553/step, 3.21952 hours remaining, 205.222656 MB of memory in use. ENERGY: 1104800 749.2604 2058.7689 1920.9551 120.7077 -206191.8291 17777.5616 0.0000 0.0000 34206.9334 -149357.6419 298.7377 -183564.5753 -149261.5458 298.7331 -79.5790 -47.6838 559132.2524 4.2720 4.2575 PRESSURE: 1105000 69.3457 -20.4971 -102.528 -20.4966 207.335 -21.2307 -102.526 -21.2311 306.378 GPRESSURE: 1105000 93.2141 43.1075 -81.4286 -26.8369 253.698 -60.5962 -101.215 51.8952 325.148 PRESSAVG: 1105000 -56.0209 43.2376 -27.2112 43.2376 -12.0687 -41.3728 -27.2112 -41.3727 39.5761 GPRESSAVG: 1105000 -54.4414 41.6436 -26.5511 44.1967 -11.7681 -41.1807 -24.736 -41.8081 38.8104 TIMING: 1105000 CPU: 3279.26, 0.00295097/step Wall: 3279.26, 0.00295097/step, 3.19278 hours remaining, 205.222656 MB of memory in use. ENERGY: 1105000 731.0796 2084.8353 1904.0302 111.5336 -206546.0274 18119.9246 0.0000 0.0000 34163.5192 -149431.1049 298.3585 -183594.6240 -149331.8879 298.0953 194.3527 224.0199 559442.2558 -9.5045 -9.1330 PRESSURE: 1105200 -444.176 -126.943 -80.3869 -126.944 -262.072 -158.191 -80.3887 -158.193 -201.426 GPRESSURE: 1105200 -408.745 -177.962 11.9649 -125.068 -221.794 -195.808 -111.104 -133.046 -180.558 PRESSAVG: 1105200 -29.8138 11.5414 6.33271 11.5413 31.1191 26.9859 6.33263 26.9858 18.1072 GPRESSAVG: 1105200 -30.7389 9.14101 4.19986 11.7586 30.0446 27.025 6.54829 28.6539 20.1176 TIMING: 1105200 CPU: 3279.85, 0.00295699/step Wall: 3279.85, 0.00295699/step, 3.19914 hours remaining, 205.222656 MB of memory in use. ENERGY: 1105200 740.5445 2100.1819 1919.7672 113.7832 -205685.0553 17348.5736 0.0000 0.0000 34173.2894 -149288.9155 298.4438 -183462.2049 -149188.8650 298.4689 -302.5578 -270.3657 558246.1480 6.4708 6.4744 PRESSURE: 1105400 309.452 -99.8469 -20.9444 -99.8461 178.185 1.33575 -20.9447 1.33535 113.814 GPRESSURE: 1105400 300.105 -154.809 -17.8421 11.3167 230.764 -8.97406 36.4528 -1.7229 159.034 PRESSAVG: 1105400 4.52165 -34.1505 9.9879 -34.1505 -32.9103 -19.9197 9.98785 -19.9196 3.61271 GPRESSAVG: 1105400 3.76026 -32.8896 11.9372 -33.9188 -30.3044 -20.0626 8.95913 -22.8937 1.86472 TIMING: 1105400 CPU: 3280.44, 0.00297306/step Wall: 3280.44, 0.00297306/step, 3.21635 hours remaining, 205.222656 MB of memory in use. ENERGY: 1105400 755.4854 2101.5064 1943.5147 118.5033 -206344.9985 18126.8545 0.0000 0.0000 34072.0830 -149227.0512 297.5600 -183299.1342 -149132.1903 299.1710 200.4837 229.9678 557329.8443 -8.2586 -8.2265 PRESSURE: 1105600 -262.994 -29.4964 106.159 -29.4959 -161.497 -8.45009 106.16 -8.44816 -182.701 GPRESSURE: 1105600 -212.115 -34.1688 37.0462 -24.0645 -134.568 -52.0219 68.7495 14.3852 -169.188 PRESSAVG: 1105600 -31.7007 -47.02 -26.8556 -47.0199 26.8975 17.4382 -26.8557 17.438 -19.3627 GPRESSAVG: 1105600 -30.585 -46.6724 -28.2503 -46.3604 26.5238 17.8431 -26.7702 20.0484 -20.0299 TIMING: 1105600 CPU: 3281.03, 0.00295842/step Wall: 3281.03, 0.00295842/step, 3.20036 hours remaining, 205.222656 MB of memory in use. ENERGY: 1105600 774.6008 2031.4333 1928.2540 112.6407 -205866.1102 17450.2974 0.0000 0.0000 34176.9295 -149391.9546 298.4756 -183568.8841 -149297.1441 297.8043 -202.3976 -171.9570 559322.0390 -8.0553 -8.0304 PRESSURE: 1105800 52.5765 -2.81096 -37.7008 -2.81151 -318.797 -125.912 -37.7008 -125.914 52.399 GPRESSURE: 1105800 121.899 -52.0778 24.4911 16.3969 -277.802 -60.1966 -96.4938 -153.04 45.1439 PRESSAVG: 1105800 44.0625 -10.0106 -19.8841 -10.0106 20.73 27.3529 -19.8841 27.353 42.0444 GPRESSAVG: 1105800 43.9377 -10.3668 -18.169 -10.7104 19.6065 25.988 -20.4602 28.3079 43.5054 TIMING: 1105800 CPU: 3281.63, 0.00297097/step Wall: 3281.63, 0.00297097/step, 3.21377 hours remaining, 205.222656 MB of memory in use. ENERGY: 1105800 748.7397 2092.2731 1914.1354 111.7969 -206326.5151 17998.2705 0.0000 0.0000 33939.9333 -149521.3661 296.4059 -183461.2995 -149425.0496 298.2254 -71.2738 -36.9198 558368.2287 35.6123 35.6832 PRESSURE: 1106000 -280.449 102.246 24.0155 102.246 166.139 28.6038 24.0165 28.6058 -87.5532 GPRESSURE: 1106000 -221.377 145.63 -120.576 33.524 183.754 12.7832 83.0757 -8.9041 -67.134 PRESSAVG: 1106000 -0.525521 -4.8415 -4.70592 -4.84149 53.5959 32.2112 -4.70588 32.2112 -25.9272 GPRESSAVG: 1106000 0.177579 -3.84915 -5.47297 -4.81563 53.3688 32.2869 -3.32694 31.4944 -26.9294 TIMING: 1106000 CPU: 3282.22, 0.00295489/step Wall: 3282.22, 0.00295489/step, 3.1962 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: 1106000 733.6534 2057.8662 1941.9300 113.2393 -206704.5004 17916.9479 0.0000 0.0000 34376.9411 -149563.9226 300.2224 -183940.8637 -149467.3471 298.4172 -67.2875 -34.9192 557784.5991 9.0477 8.8723 PRESSURE: 1106200 23.7469 21.7637 93.6058 21.7636 -14.2433 80.9251 93.6059 80.9266 95.5012 GPRESSURE: 1106200 85.6336 43.3162 130.351 64.1926 -26.6453 53.7906 71.198 91.014 135.096 PRESSAVG: 1106200 -71.73 20.467 -20.0987 20.467 35.4307 9.44997 -20.0988 9.44999 44.7342 GPRESSAVG: 1106200 -71.7446 20.7875 -20.0397 20.6387 35.2803 10.3328 -21.5226 7.47534 45.222 TIMING: 1106200 CPU: 3282.81, 0.00297435/step Wall: 3282.81, 0.00297435/step, 3.21709 hours remaining, 205.222656 MB of memory in use. ENERGY: 1106200 741.9761 2065.2383 1929.7310 122.0331 -206521.4239 17863.0716 0.0000 0.0000 34207.5179 -149591.8559 298.7428 -183799.3739 -149496.4515 298.3437 35.0016 64.6948 556215.7025 2.8116 2.9193 PRESSURE: 1106400 -260.097 124.849 -90.7949 124.85 -45.6429 14.0705 -90.7949 14.0713 71.2934 GPRESSURE: 1106400 -272.609 100.601 -108.89 138.298 32.2603 100.639 -167.964 11.4394 103.46 PRESSAVG: 1106400 0.533141 12.9115 56.6956 12.9116 32.8011 62.4684 56.6956 62.4684 -9.67185 GPRESSAVG: 1106400 -0.800141 10.929 58.6873 13.2756 34.6974 62.5405 55.4105 64.1201 -10.0645 TIMING: 1106400 CPU: 3283.41, 0.00297721/step Wall: 3283.41, 0.00297721/step, 3.22002 hours remaining, 205.222656 MB of memory in use. ENERGY: 1106400 733.8820 2123.5219 1934.1903 115.7416 -206203.5257 17612.3242 0.0000 0.0000 34310.2097 -149373.6560 299.6396 -183683.8657 -149280.3736 298.3389 -78.1488 -45.6297 557182.3332 7.8875 7.9443 PRESSURE: 1106600 -143 54.1424 -87.3706 54.1427 -19.6027 -171.304 -87.3729 -171.303 -200.015 GPRESSURE: 1106600 -120.33 17.1889 -51.0649 50.4522 -40.0616 -176.108 -130.608 -156.767 -100.846 PRESSAVG: 1106600 2.99661 -28.3549 -7.31397 -28.3549 -3.15351 -25.2608 -7.31387 -25.2607 9.62183 GPRESSAVG: 1106600 2.31958 -26.2741 -6.45546 -29.2731 -4.49241 -24.183 -6.65652 -25.4522 11.4848 TIMING: 1106600 CPU: 3284, 0.00296835/step Wall: 3284, 0.00296835/step, 3.21027 hours remaining, 205.222656 MB of memory in use. ENERGY: 1106600 775.6184 2064.0421 1939.4918 116.0491 -206008.1636 17618.6859 0.0000 0.0000 34115.5285 -149378.7478 297.9394 -183494.2763 -149282.9255 298.2073 -120.8728 -87.0793 557455.0264 3.1550 3.1040 PRESSURE: 1106800 170.14 -293.624 167.83 -293.625 -95.0378 67.7878 167.831 67.7856 188.235 GPRESSURE: 1106800 238.069 -200.16 136.109 -339.651 -44.5914 100.363 149.172 81.976 161.063 PRESSAVG: 1106800 -62.4319 18.8749 -13.8876 18.8749 -12.3459 0.217246 -13.8875 0.217243 28.9291 GPRESSAVG: 1106800 -61.8368 16.0336 -17.0279 19.845 -11.936 -1.54061 -14.2229 -0.440367 27.9353 TIMING: 1106800 CPU: 3284.6, 0.00299216/step Wall: 3284.6, 0.00299216/step, 3.23585 hours remaining, 205.222656 MB of memory in use. ENERGY: 1106800 755.4744 2037.6913 1912.2243 112.0055 -206263.2679 17981.9056 0.0000 0.0000 34085.1536 -149378.8133 297.6741 -183463.9669 -149288.4857 298.3278 87.7791 118.1800 559123.5977 -15.2829 -15.2792 PRESSURE: 1107000 23.5755 186.306 158.59 186.306 -191.028 -240.199 158.59 -240.199 -118.854 GPRESSURE: 1107000 7.96456 144.713 213.114 202.654 -166.422 -276.244 105.228 -127.654 -35.2844 PRESSAVG: 1107000 -30.9729 22.3929 -22.9271 22.3929 -27.4965 -30.9292 -22.9271 -30.9292 39.4525 GPRESSAVG: 1107000 -30.6251 22.2088 -23.5057 22.5505 -26.9044 -30.2068 -19.226 -30.1483 39.1304 TIMING: 1107000 CPU: 3285.2, 0.00297175/step Wall: 3285.2, 0.00297175/step, 3.21362 hours remaining, 205.222656 MB of memory in use. ENERGY: 1107000 758.2452 2102.9736 1954.4007 117.8385 -206247.2233 17820.9376 0.0000 0.0000 34051.1804 -149441.6473 297.3774 -183492.8278 -149345.6656 297.9553 -95.4355 -64.5807 558127.7682 -6.3390 -6.1330 PRESSURE: 1107200 10.4362 24.2125 -54.2465 24.2115 -237.369 -63.4861 -54.2475 -63.485 -283.949 GPRESSURE: 1107200 36.0843 37.7677 -76.4927 -30.6879 -188.318 -32.342 -40.0626 -96.1373 -259.174 PRESSAVG: 1107200 -26.3695 24.3841 16.8436 24.3842 15.5711 -36.5116 16.8436 -36.5116 9.67186 GPRESSAVG: 1107200 -26.325 26.5237 17.4611 24.2691 16.0332 -36.1268 14.5684 -37.6692 9.79909 TIMING: 1107200 CPU: 3285.8, 0.00299791/step Wall: 3285.8, 0.00299791/step, 3.24174 hours remaining, 205.222656 MB of memory in use. ENERGY: 1107200 731.2255 2131.3342 1915.5636 114.8973 -205935.9374 17574.9286 0.0000 0.0000 34033.1326 -149434.8557 297.2198 -183467.9883 -149346.1885 298.3408 -170.2942 -137.1359 558300.5127 -0.3755 -0.1642 PRESSURE: 1107400 -108.147 89.1517 -161.594 89.1503 -185.601 -66.5227 -161.593 -66.5236 -43.6959 GPRESSURE: 1107400 -77.8439 73.2825 -180.095 115.199 -147.593 -93.3257 -236.235 -35.6672 -11.7487 PRESSAVG: 1107400 6.46066 2.24763 -67.0591 2.24756 3.8039 25.0008 -67.0591 25.0009 -21.7845 GPRESSAVG: 1107400 7.11236 -0.403248 -67.0238 1.92111 3.16192 24.6965 -66.6712 24.7811 -21.6457 TIMING: 1107400 CPU: 3286.39, 0.00298318/step Wall: 3286.39, 0.00298318/step, 3.22564 hours remaining, 205.222656 MB of memory in use. ENERGY: 1107400 744.8604 2002.5254 1933.4818 104.9874 -206390.0426 17744.4543 0.0000 0.0000 34342.1916 -149517.5417 299.9189 -183859.7333 -149419.2650 298.3746 -112.4812 -79.0618 558829.3850 -3.8400 -3.7905 PRESSURE: 1107600 3.31052 262.627 99.0245 262.629 24.8743 119.059 99.0245 119.06 109.71 GPRESSURE: 1107600 64.2374 252.379 35.5124 198.965 87.7863 6.65828 93.0169 221.815 88.2852 PRESSAVG: 1107600 -24.4153 -5.54479 -51.5572 -5.54485 0.0215334 -7.84274 -51.5572 -7.84258 -0.664946 GPRESSAVG: 1107600 -25.0512 -2.75645 -51.7104 -4.01643 0.77126 -7.99886 -51.8178 -7.29847 -0.986311 TIMING: 1107600 CPU: 3286.99, 0.0029738/step Wall: 3286.99, 0.0029738/step, 3.21533 hours remaining, 205.222656 MB of memory in use. ENERGY: 1107600 728.0621 2035.8272 1948.5123 117.4410 -206631.1770 18077.0852 0.0000 0.0000 34195.1007 -149529.1486 298.6343 -183724.2492 -149431.6076 298.3952 45.9651 80.1030 559170.5778 -8.3529 -8.4221 PRESSURE: 1107800 -36.1231 -83.5445 -83.0618 -83.5434 -44.4234 124.646 -83.0614 124.647 -14.2289 GPRESSURE: 1107800 6.68013 -110.397 -20.8143 -116.61 -39.8056 209.947 -99.8006 87.943 34.0455 PRESSAVG: 1107800 3.98366 -10.6619 -18.8797 -10.6619 49.3824 -9.87744 -18.8798 -9.87742 -48.406 GPRESSAVG: 1107800 2.57371 -13.6285 -17.6005 -13.0186 49.0777 -8.37599 -17.5722 -9.22942 -46.9158 TIMING: 1107800 CPU: 3287.59, 0.00299183/step Wall: 3287.59, 0.00299183/step, 3.23467 hours remaining, 205.222656 MB of memory in use. ENERGY: 1107800 756.9265 2039.7569 1952.3430 112.7945 -206480.2953 17933.8515 0.0000 0.0000 34021.4494 -149663.1736 297.1178 -183684.6230 -149564.2086 297.7891 -31.5918 0.3067 558316.5064 1.6533 1.5785 PRESSURE: 1108000 50.2956 -65.4051 -123.211 -65.4047 -105.622 70.3973 -123.21 70.3962 197.003 GPRESSURE: 1108000 14.7845 -32.169 -160.522 -51.803 -20.3364 28.9862 -156.408 40.4502 244.755 PRESSAVG: 1108000 15.0511 -22.7041 -84.2316 -22.7041 34.2821 47.3358 -84.2316 47.3358 -35.8875 GPRESSAVG: 1108000 15.9268 -20.5999 -84.1512 -20.8632 33.2936 46.0575 -83.4393 46.3096 -35.8539 TIMING: 1108000 CPU: 3288.18, 0.00297347/step Wall: 3288.18, 0.00297347/step, 3.21465 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: 1108000 721.2238 2091.2441 1924.3529 114.8153 -206447.2321 17852.6157 0.0000 0.0000 34044.4487 -149698.5317 297.3186 -183742.9804 -149601.7346 297.4890 47.2254 79.7345 557504.0572 4.4819 4.4555 PRESSURE: 1108200 369.077 -87.735 4.33774 -87.7351 113.731 46.3498 4.33717 46.3502 275.002 GPRESSURE: 1108200 373.477 -172.747 -50.1568 -69.7359 129.614 93.5841 103.331 -71.917 351.738 PRESSAVG: 1108200 6.08042 -17.1577 -33.7295 -17.1577 32.2579 26.1274 -33.7295 26.1273 -8.39538 GPRESSAVG: 1108200 5.88738 -17.0624 -34.522 -18.3532 34.0483 25.1912 -35.3709 28.0834 -9.82417 TIMING: 1108200 CPU: 3288.77, 0.00296994/step Wall: 3288.77, 0.00296994/step, 3.21067 hours remaining, 205.222656 MB of memory in use. ENERGY: 1108200 762.4043 2094.4577 1920.4438 121.5646 -206915.7235 18301.4817 0.0000 0.0000 34137.2906 -149578.0807 298.1294 -183715.3714 -149489.8245 298.0176 252.6031 284.9430 556731.2684 9.9810 10.0372 LDB: ============= START OF LOAD BALANCING ============== 3292.2 LDB: ============== END OF LOAD BALANCING =============== 3292.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3292.2 LDB: ============= START OF LOAD BALANCING ============== 3292.51 LDB: Largest compute 4847 load 0.029089 is 24.7% of average load 0.117877 LDB: Average compute 0.001724 is 1.5% of average load 0.117877 LDB: TIME 3292.51 LOAD: AVG 0.117877 MAX 0.197568 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.414 MB LDB: TIME 3292.51 LOAD: AVG 0.117877 MAX 0.197568 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.418 MB LDB: TIME 3292.51 LOAD: AVG 0.117877 MAX 0.197568 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.418 MB LDB: ============== END OF LOAD BALANCING =============== 3292.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3292.51 PRESSURE: 1108400 -352.749 24.5144 5.9951 24.5162 0.500488 36.2268 5.9957 36.2263 1.77635 GPRESSURE: 1108400 -307.449 28.2233 39.8973 71.2783 61.0521 -1.77816 -70.1867 76.0381 -13.2508 PRESSAVG: 1108400 -8.50543 -16.9815 18.5834 -16.9815 72.7967 -38.4504 18.5835 -38.4504 -34.6182 GPRESSAVG: 1108400 -6.75127 -16.5047 19.9317 -15.5108 71.5574 -37.4842 18.7549 -40.2918 -34.7137 TIMING: 1108400 CPU: 3289.38, 0.00305012/step Wall: 3289.38, 0.00305012/step, 3.29718 hours remaining, 207.210938 MB of memory in use. ENERGY: 1108400 718.0713 2085.1883 1932.6400 116.7176 -206416.5414 17612.7925 0.0000 0.0000 34338.0759 -149613.0557 299.8830 -183951.1316 -149508.3411 298.0912 -116.8240 -86.5491 557666.0356 9.8910 10.0308 PRESSURE: 1108600 -88.0338 97.6712 -191.215 97.6721 -151.137 -25.633 -191.215 -25.634 -118.986 GPRESSURE: 1108600 -66.766 93.1544 -113.844 31.5424 -122.263 -69.2716 -284.743 30.715 -77.9421 PRESSAVG: 1108600 -27.8652 9.22428 7.11627 9.22422 3.6317 55.9144 7.11626 55.9144 12.3879 GPRESSAVG: 1108600 -28.7941 8.2951 6.02782 8.76413 4.8147 55.0083 8.0881 56.9971 12.9095 TIMING: 1108600 CPU: 3289.98, 0.00299521/step Wall: 3289.98, 0.00299521/step, 3.23765 hours remaining, 207.414062 MB of memory in use. ENERGY: 1108600 746.1033 2107.4993 1941.4451 125.8756 -206198.4223 17565.3783 0.0000 0.0000 34268.0632 -149444.0575 299.2715 -183712.1207 -149345.0433 298.9325 -119.3858 -88.9905 558507.2886 -3.9485 -3.6900 PRESSURE: 1108800 -252.131 176.811 51.2643 176.811 -43.2986 11.4006 51.2649 11.4027 199.007 GPRESSURE: 1108800 -205.556 113.695 93.5949 204.179 -4.76755 -90.1566 34.8053 44.6975 196.453 PRESSAVG: 1108800 -49.6991 5.84609 0.943078 5.84602 7.00356 -58.5187 0.943058 -58.5186 32.0754 GPRESSAVG: 1108800 -49.5318 5.44543 1.69071 5.47604 5.92581 -58.4368 -0.234289 -57.1272 32.861 TIMING: 1108800 CPU: 3290.58, 0.0029858/step Wall: 3290.58, 0.0029858/step, 3.22732 hours remaining, 207.414062 MB of memory in use. ENERGY: 1108800 747.7404 2136.4473 1947.4822 115.8545 -206168.8986 17772.9444 0.0000 0.0000 34239.9348 -149208.4950 299.0259 -183448.4298 -149117.2751 299.4760 -32.1411 -4.6234 557085.4662 -3.5400 -3.5817 PRESSURE: 1109000 -358.423 71.5335 -51.0152 71.5327 -449.315 92.6731 -51.016 92.6743 -300.293 GPRESSURE: 1109000 -271.374 88.1732 -111.57 93.9514 -449.193 86.8674 -72.0808 182.686 -286.591 PRESSAVG: 1109000 -22.7415 2.44391 7.60789 2.44393 -31.4765 12.8334 7.60792 12.8334 33.6755 GPRESSAVG: 1109000 -22.816 3.24238 6.96797 3.25607 -32.2676 11.6443 7.73641 12.5784 34.1997 TIMING: 1109000 CPU: 3291.18, 0.00301467/step Wall: 3291.18, 0.00301467/step, 3.25835 hours remaining, 207.414062 MB of memory in use. ENERGY: 1109000 774.4391 2077.0694 1963.9228 109.5475 -205584.9685 17184.7517 0.0000 0.0000 34364.5142 -149110.7238 300.1138 -183475.2380 -149011.8945 299.6260 -369.3436 -335.7190 558291.0129 -6.8475 -6.9613 PRESSURE: 1109200 -88.0064 -189.294 -56.9767 -189.294 -383.989 -88.9385 -56.9768 -88.9372 -46.4719 GPRESSURE: 1109200 -36.2488 -107.941 -85.9729 -213.659 -332.821 -67.6635 -48.9423 -54.9557 -48.9428 PRESSAVG: 1109200 25.9944 11.5785 -16.8101 11.5784 -82.3044 17.6737 -16.8102 17.6737 46.8861 GPRESSAVG: 1109200 26.2474 12.357 -19.0353 11.3569 -82.0358 20.3108 -15.7088 17.145 46.2777 TIMING: 1109200 CPU: 3291.78, 0.00300351/step Wall: 3291.78, 0.00300351/step, 3.24613 hours remaining, 207.414062 MB of memory in use. ENERGY: 1109200 756.2826 2072.4520 1957.1591 110.9779 -206224.0483 17774.1711 0.0000 0.0000 34507.2164 -149045.7892 301.3601 -183553.0056 -148947.1767 299.4432 -172.8225 -139.3374 557254.0455 -3.1413 -3.1702 PRESSURE: 1109400 54.6133 -213.578 -5.53349 -213.578 12.0344 49.3637 -5.53376 49.3648 -153.818 GPRESSURE: 1109400 111.323 -228.716 -58.5504 -141.527 57.5697 94.0138 50.2821 15.1868 -158.626 PRESSAVG: 1109400 35.1164 -26.8686 -33.3977 -26.8686 -19.9762 -19.1422 -33.3976 -19.1423 -1.00366 GPRESSAVG: 1109400 36.5964 -25.9672 -31.5198 -28.1295 -19.8862 -19.5446 -32.1405 -19.5038 -2.61 TIMING: 1109400 CPU: 3292.39, 0.00300743/step Wall: 3292.39, 0.00300743/step, 3.25019 hours remaining, 207.414062 MB of memory in use. ENERGY: 1109400 763.0004 2110.9507 1941.2118 113.5570 -205832.4111 17565.3858 0.0000 0.0000 34237.8777 -149100.4276 299.0079 -183338.3053 -148996.8005 299.5736 -29.0569 3.4223 556663.8390 4.7122 4.7001 PRESSURE: 1109600 -123.574 21.5041 -3.34879 21.5046 111.31 17.2777 -3.3491 17.2784 -153.987 GPRESSURE: 1109600 -152.355 97.942 14.5497 49.8778 125.555 39.6674 -15.5068 117.183 -51.2718 PRESSAVG: 1109600 7.97366 27.5976 -28.7716 27.5976 40.1563 24.8433 -28.7715 24.8433 -29.405 GPRESSAVG: 1109600 7.41517 25.2104 -28.2586 28.6428 39.589 23.9168 -30.3364 24.7897 -28.2825 TIMING: 1109600 CPU: 3292.99, 0.00302096/step Wall: 3292.99, 0.00302096/step, 3.26466 hours remaining, 207.414062 MB of memory in use. ENERGY: 1109600 746.5476 2126.5241 1972.6779 104.5441 -206037.8665 17548.6804 0.0000 0.0000 34492.2556 -149046.6368 301.2294 -183538.8924 -148957.9819 299.5557 -55.4173 -26.0240 556948.0701 6.2417 6.2406 PRESSURE: 1109800 -273.573 28.7624 23.3604 28.7618 -19.2265 106.355 23.3598 106.356 -84.158 GPRESSURE: 1109800 -264.549 98.0149 45.6701 21.947 -0.376216 113.802 -15.8181 158.627 -15.3694 PRESSAVG: 1109800 36.0744 -22.8166 -20.4675 -22.8166 42.8557 57.2161 -20.4674 57.2162 -23.648 GPRESSAVG: 1109800 36.7043 -21.1604 -20.0328 -22.2242 43.2716 57.6695 -20.1289 56.8613 -24.7585 TIMING: 1109800 CPU: 3293.58, 0.00295652/step Wall: 3293.58, 0.00295652/step, 3.19485 hours remaining, 207.414062 MB of memory in use. ENERGY: 1109800 771.3706 2073.8056 1976.3442 122.1579 -205833.1039 17809.6112 0.0000 0.0000 34193.8934 -148885.9210 298.6238 -183079.8144 -148787.6994 300.6620 -125.6524 -93.4316 559622.9597 18.4274 18.4058 PRESSURE: 1110000 343.843 -19.1489 211.593 -19.1491 -80.8093 177.356 211.593 177.355 209.071 GPRESSURE: 1110000 349.631 -10.0473 318.325 41.4403 -38.3485 170.791 144.942 113.998 253.633 PRESSAVG: 1110000 53.349 -4.94316 15.6469 -4.94319 -29.2158 21.1777 15.6469 21.1777 -27.6143 GPRESSAVG: 1110000 51.7188 -4.6421 14.703 -5.77316 -29.9439 21.136 15.7613 20.8102 -25.8498 TIMING: 1110000 CPU: 3294.18, 0.00297393/step Wall: 3294.18, 0.00297393/step, 3.21349 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: 1110000 699.0391 2113.8708 1987.2160 106.6707 -205767.2404 17766.3272 0.0000 0.0000 34179.0153 -148915.1014 298.4938 -183094.1166 -148829.2741 300.0289 157.3679 188.3052 556527.2534 -1.1604 -1.3583 PRESSURE: 1110200 158.96 102.387 -117.327 102.386 274.422 73.933 -117.326 73.9334 16.4647 GPRESSURE: 1110200 169.832 70.5569 -33.8932 104.057 322.105 86.6896 -171.715 95.997 55.8191 PRESSAVG: 1110200 53.129 7.01247 -4.54234 7.01245 29.5521 36.501 -4.54224 36.501 -54.697 GPRESSAVG: 1110200 53.8836 5.0674 -3.64204 8.33424 30.0852 39.6719 -6.023 33.6079 -56.1599 TIMING: 1110200 CPU: 3294.77, 0.00298043/step Wall: 3294.77, 0.00298043/step, 3.22036 hours remaining, 207.414062 MB of memory in use. ENERGY: 1110200 743.0612 2097.5799 1948.7171 118.1053 -206091.2302 17832.8089 0.0000 0.0000 34555.1611 -148795.7966 301.7788 -183350.9577 -148696.5630 300.6321 149.9491 182.5853 557034.2136 9.3281 9.2696 PRESSURE: 1110400 -391.049 2.8159 -12.5577 2.81753 -226.029 -48.0004 -12.5586 -48.0037 -69.3649 GPRESSURE: 1110400 -382.485 -28.8321 -36.3252 48.7502 -193.353 -48.5392 -54.7395 -36.2559 -9.61557 PRESSAVG: 1110400 -27.0667 28.2816 13.2713 28.2816 -43.5467 4.65898 13.2713 4.65902 44.6389 GPRESSAVG: 1110400 -27.1827 27.6346 10.3405 28.132 -43.7963 2.56668 14.9786 7.60589 45.3218 TIMING: 1110400 CPU: 3295.37, 0.0029942/step Wall: 3295.37, 0.0029942/step, 3.23507 hours remaining, 207.414062 MB of memory in use. ENERGY: 1110400 797.5410 2064.4953 1950.7992 98.0640 -205473.1717 17554.5769 0.0000 0.0000 34104.6775 -148903.0178 297.8446 -183007.6953 -148806.5699 300.2219 -228.8144 -195.1511 557891.6591 -8.6582 -8.5524 PRESSURE: 1110600 -188.991 -16.6392 184.637 -16.6384 -87.5632 192.343 184.637 192.341 24.7003 GPRESSURE: 1110600 -140.291 72.132 215.536 -134.13 -83.0222 228.731 114.88 215.085 63.5255 PRESSAVG: 1110600 -29.8568 -17.3884 69.364 -17.3885 -0.936326 41.143 69.364 41.143 34.6763 GPRESSAVG: 1110600 -30.5629 -16.4346 72.8009 -19.0558 -1.2208 40.9823 67.4876 42.3492 35.5926 TIMING: 1110600 CPU: 3295.97, 0.00298899/step Wall: 3295.97, 0.00298899/step, 3.22928 hours remaining, 207.414062 MB of memory in use. ENERGY: 1110600 762.9245 2145.9303 1958.2003 126.5380 -205753.0654 17602.2664 0.0000 0.0000 34267.8596 -148889.3463 299.2697 -183157.2059 -148789.9848 300.4307 -83.9511 -53.2625 558244.6560 1.2944 1.2696 PRESSURE: 1110800 124.975 95.0912 -58.5469 95.0919 236.657 98.6821 -58.5468 98.6824 -84.218 GPRESSURE: 1110800 120.009 25.7779 -124.542 113.242 273.818 89.4147 -37.0503 127.056 -25.1032 PRESSAVG: 1110800 19.9432 34.293 17.9797 34.293 10.4822 48.3002 17.9797 48.3002 0.0565456 GPRESSAVG: 1110800 20.1495 33.6343 15.3104 36.0325 11.409 47.0458 20.3829 48.3502 -0.927627 TIMING: 1110800 CPU: 3296.57, 0.00302485/step Wall: 3296.57, 0.00302485/step, 3.26784 hours remaining, 207.414062 MB of memory in use. ENERGY: 1110800 696.3202 2050.3975 1915.1436 103.0814 -206184.8367 17787.2722 0.0000 0.0000 34640.8002 -148991.8216 302.5267 -183632.6218 -148896.5316 300.8439 92.4716 122.9081 555849.4392 10.1607 10.2103 PRESSURE: 1111000 -53.5396 7.0922 -136.918 7.09211 -40.5804 43.1186 -136.917 43.1179 150.602 GPRESSURE: 1111000 0.609185 19.3578 -59.8506 -92.9129 -54.3644 95.4758 -82.261 -80.8249 211.516 PRESSAVG: 1111000 67.363 -41.4929 -43.691 -41.4929 -42.0346 25.3002 -43.6909 25.3002 -34.773 GPRESSAVG: 1111000 67.2865 -38.3478 -42.509 -43.9177 -41.7563 25.8936 -44.0087 25.1838 -34.9529 TIMING: 1111000 CPU: 3297.17, 0.00300053/step Wall: 3297.17, 0.00300053/step, 3.24141 hours remaining, 207.671875 MB of memory in use. ENERGY: 1111000 745.3926 2111.4086 1950.4332 107.8056 -205971.8251 17826.5225 0.0000 0.0000 34224.8197 -149005.4429 298.8939 -183230.2626 -148921.9992 300.7158 18.8274 52.5869 558301.5207 -3.1482 -3.1409 PRESSURE: 1111200 62.0775 -31.6668 -144.535 -31.667 16.0561 -160.64 -144.535 -160.639 -40.0435 GPRESSURE: 1111200 53.5992 -20.8587 -147.729 -80.0347 96.4497 -208.507 -119.388 -123.037 -14.4652 PRESSAVG: 1111200 -16.157 11.7617 -2.54799 11.7616 -20.8948 -11.7604 -2.54795 -11.7605 -4.18363 GPRESSAVG: 1111200 -15.6339 8.22644 -1.41038 13.852 -21.7975 -10.0109 -2.04143 -14.1254 -3.58185 TIMING: 1111200 CPU: 3297.77, 0.00299004/step Wall: 3297.77, 0.00299004/step, 3.22991 hours remaining, 207.671875 MB of memory in use. ENERGY: 1111200 789.4782 2046.1524 1947.0397 109.0768 -206208.6328 17820.7399 0.0000 0.0000 34436.2327 -149059.9129 300.7402 -183496.1456 -148963.3003 299.3893 12.6967 45.1946 558587.0620 -13.7451 -13.6711 PRESSURE: 1111400 192.377 9.72204 120.107 9.72126 -142.905 -89.7691 120.108 -89.7672 -33.319 GPRESSURE: 1111400 225.626 34.6334 159.387 38.2748 -105.539 -56.094 134.373 -99.1754 -6.76118 PRESSAVG: 1111400 -3.13745 52.1656 14.6933 52.1656 37.5893 -73.9196 14.6932 -73.9196 -25.8684 GPRESSAVG: 1111400 -2.63677 53.5421 13.2044 50.5168 37.3527 -74.5086 13.8934 -74.8943 -25.4705 TIMING: 1111400 CPU: 3298.37, 0.00298441/step Wall: 3298.37, 0.00298441/step, 3.22366 hours remaining, 207.671875 MB of memory in use. ENERGY: 1111400 735.3349 2125.0756 1943.3590 113.2905 -206021.9395 17804.9632 0.0000 0.0000 34342.5815 -148957.3348 299.9223 -183299.9163 -148865.8317 299.9987 5.3844 37.7751 557928.2493 2.8611 3.0818 PRESSURE: 1111600 -170.983 -145.759 2.60567 -145.759 162.665 -39.8485 2.60686 -39.848 -36.493 GPRESSURE: 1111600 -120.015 -114.031 12.0819 -83.1993 176.41 -22.4071 -17.9571 -53.392 1.44891 PRESSAVG: 1111600 29.0476 -8.01052 5.73629 -8.01053 -37.9087 -50.5837 5.73632 -50.5838 36.6561 GPRESSAVG: 1111600 28.801 -9.71941 5.49184 -6.21235 -37.5447 -50.4031 5.80455 -48.6211 36.7794 TIMING: 1111600 CPU: 3298.97, 0.00299569/step Wall: 3298.97, 0.00299569/step, 3.23568 hours remaining, 207.671875 MB of memory in use. ENERGY: 1111600 764.1443 2102.0846 1935.4844 124.3588 -206019.6218 17911.0302 0.0000 0.0000 34255.2402 -148927.2792 299.1595 -183182.5194 -148827.1470 300.0259 -14.9370 19.2814 557730.1986 9.2650 9.3452 PRESSURE: 1111800 -55.0559 -69.091 -52.4495 -69.0916 -188.387 35.0709 -52.4497 35.0713 -109.449 GPRESSURE: 1111800 -16.1485 -50.04 -55.6079 -6.57581 -158.21 17.2849 -76.7639 45.5854 -71.5649 PRESSAVG: 1111800 -43.8745 0.367772 61.5027 0.367745 -42.6236 10.4023 61.5027 10.4023 104.831 GPRESSAVG: 1111800 -43.2914 1.43351 62.6104 0.366967 -41.4527 10.1335 61.7118 10.2987 103.707 TIMING: 1111800 CPU: 3299.56, 0.00298062/step Wall: 3299.56, 0.00298062/step, 3.21924 hours remaining, 207.671875 MB of memory in use. ENERGY: 1111800 715.2851 2081.6225 1971.1365 125.1364 -205600.9502 17403.7620 0.0000 0.0000 34477.4489 -148826.5588 301.1001 -183304.0077 -148733.3825 300.2265 -117.6305 -81.9745 556478.2442 6.1109 6.3209 PRESSURE: 1112000 94.5059 6.18166 71.9222 6.18245 88.5353 4.77285 71.9226 4.772 156.869 GPRESSURE: 1112000 166.178 15.3319 121.968 54.1674 129.727 -75.941 33.1522 49.33 131.652 PRESSAVG: 1112000 15.3764 -16.9866 -5.01539 -16.9865 -34.2463 -24.483 -5.01548 -24.483 40.0791 GPRESSAVG: 1112000 15.0484 -16.1606 -6.46737 -19.2512 -33.9972 -25.1059 -3.59366 -27.1038 40.4614 TIMING: 1112000 CPU: 3300.16, 0.00297216/step Wall: 3300.16, 0.00297216/step, 3.20993 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: 1112000 733.2998 2130.1778 1976.2525 116.7659 -206304.0837 17855.4529 0.0000 0.0000 34659.4955 -148832.6392 302.6900 -183492.1347 -148737.2057 300.5784 113.3032 142.5193 557119.6267 7.0697 7.1708 PRESSURE: 1112200 -245.811 134.156 35.8321 134.157 -51.0436 -10.4228 35.8303 -10.4212 -458.131 GPRESSURE: 1112200 -236.401 67.2706 1.33199 112.198 0.796264 -7.30183 7.12501 -54.4943 -417.207 PRESSAVG: 1112200 39.4525 13.965 25.4144 13.965 -37.6163 18.2887 25.4144 18.2887 8.35231 GPRESSAVG: 1112200 39.7375 12.8798 25.3412 15.6575 -38.1018 19.3271 24.5447 19.3198 8.5692 TIMING: 1112200 CPU: 3300.76, 0.00298278/step Wall: 3300.76, 0.00298278/step, 3.22124 hours remaining, 207.671875 MB of memory in use. ENERGY: 1112200 717.8729 2140.4994 1985.6673 104.4018 -205331.3947 17151.0694 0.0000 0.0000 34393.5050 -148838.3789 300.3670 -183231.8839 -148743.5355 300.7385 -251.6618 -217.6036 558275.1508 3.3962 3.4016 LDB: ============= START OF LOAD BALANCING ============== 3304.19 LDB: ============== END OF LOAD BALANCING =============== 3304.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3304.19 LDB: ============= START OF LOAD BALANCING ============== 3304.49 LDB: Largest compute 4847 load 0.026398 is 22.4% of average load 0.117897 LDB: Average compute 0.001714 is 1.5% of average load 0.117897 LDB: TIME 3304.49 LOAD: AVG 0.117897 MAX 0.197341 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.699 MB LDB: TIME 3304.49 LOAD: AVG 0.117897 MAX 0.197341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: TIME 3304.49 LOAD: AVG 0.117897 MAX 0.197341 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.699 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3304.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3304.49 PRESSURE: 1112400 -88.4416 -56.8534 120.163 -56.8535 -54.4188 -99.3917 120.164 -99.3928 -145.395 GPRESSURE: 1112400 -90.8455 -114.31 76.5112 -59.3375 -31.6472 -40.0061 146.231 -220.933 -57.4761 PRESSAVG: 1112400 -58.7229 47.8231 26.8423 47.8233 49.1469 -23.6577 26.8424 -23.6578 1.03933 GPRESSAVG: 1112400 -58.6358 50.0415 28.5963 45.391 48.2852 -23.3679 24.7707 -23.453 1.59108 TIMING: 1112400 CPU: 3301.37, 0.00305018/step Wall: 3301.37, 0.00305018/step, 3.29386 hours remaining, 206.640625 MB of memory in use. ENERGY: 1112400 740.5728 2025.9348 1951.8376 109.2105 -205921.9331 17690.9156 0.0000 0.0000 34335.9168 -149067.5450 299.8641 -183403.4618 -148972.4174 299.6475 -96.0852 -59.9896 557970.8453 -2.8456 -2.9198 PRESSURE: 1112600 -224.528 38.2412 -33.3968 38.2406 151.02 -9.66535 -33.3971 -9.66686 -272.655 GPRESSURE: 1112600 -185.541 32.6904 -4.95146 55.0805 178.123 2.22291 0.0984807 46.2901 -246.037 PRESSAVG: 1112600 13.1796 -44.5568 46.8508 -44.5569 -3.48298 -2.37432 46.8508 -2.37434 -15.9648 GPRESSAVG: 1112600 12.5726 -47.5305 47.035 -43.467 -2.57809 -2.45995 48.3674 -0.884414 -16.5881 TIMING: 1112600 CPU: 3301.96, 0.00297877/step Wall: 3301.96, 0.00297877/step, 3.21658 hours remaining, 206.898438 MB of memory in use. ENERGY: 1112600 737.1312 2004.5754 1961.9323 108.5374 -205705.2669 17637.0957 0.0000 0.0000 34366.9975 -148888.9974 300.1355 -183255.9950 -148788.3358 299.8049 -115.3877 -84.4847 558089.0632 -2.0894 -2.1978 PRESSURE: 1112800 -204.731 -82.5158 43.3588 -82.5157 -34.7797 203.233 43.3593 203.233 -251.137 GPRESSURE: 1112800 -142.18 -77.9619 74.7481 -65.4231 -66.6109 262.283 7.56942 161.548 -184.905 PRESSAVG: 1112800 6.0184 -33.9438 54.7671 -33.9437 34.3612 52.4713 54.7671 52.4714 -49.027 GPRESSAVG: 1112800 6.66685 -31.7835 54.6459 -32.438 33.0308 53.5608 56.4986 49.644 -48.2608 TIMING: 1112800 CPU: 3302.56, 0.00297322/step Wall: 3302.56, 0.00297322/step, 3.21041 hours remaining, 206.898438 MB of memory in use. ENERGY: 1112800 747.9281 2115.8435 1949.8391 109.8787 -205694.9375 17394.8981 0.0000 0.0000 34472.3770 -148904.1730 301.0558 -183376.5500 -148801.7471 300.5845 -163.5492 -131.2320 557245.6440 -2.8825 -2.8544 PRESSURE: 1113000 -0.305429 118.169 143.899 118.169 -16.2416 29.1757 143.899 29.1752 -100.686 GPRESSURE: 1113000 9.72958 77.4207 177.72 133.223 -2.46042 -81.3714 158.904 62.4869 -20.5795 PRESSAVG: 1113000 -3.67642 19.815 35.1786 19.815 0.312675 -16.3973 35.1786 -16.3974 -30.0586 GPRESSAVG: 1113000 -4.13111 20.0461 34.8054 19.234 0.283177 -18.235 31.2597 -14.3387 -29.293 TIMING: 1113000 CPU: 3303.15, 0.00298677/step Wall: 3303.15, 0.00298677/step, 3.22488 hours remaining, 206.898438 MB of memory in use. ENERGY: 1113000 787.5727 2063.5669 1954.7889 114.7610 -205795.9862 17752.4118 0.0000 0.0000 34276.6765 -148846.2083 299.3467 -183122.8848 -148747.2505 300.0253 -39.0775 -4.4368 558176.8222 -11.1408 -11.0470 PRESSURE: 1113200 -272.189 85.7896 166.069 85.7907 -289.285 139.441 166.07 139.441 -5.98168 GPRESSURE: 1113200 -200.08 134.105 162.144 99.5412 -238.881 179.194 134.488 167.959 -18.3065 PRESSAVG: 1113200 -31.3709 -10.2473 6.07092 -10.2472 -48.4576 53.8367 6.07094 53.8368 24.2874 GPRESSAVG: 1113200 -30.714 -10.7734 5.2837 -10.372 -48.1131 52.6771 7.46858 55.4583 23.5225 TIMING: 1113200 CPU: 3303.75, 0.00296306/step Wall: 3303.75, 0.00296306/step, 3.19912 hours remaining, 206.898438 MB of memory in use. ENERGY: 1113200 757.9838 2094.9447 1945.4658 117.9136 -205716.1773 17659.8668 0.0000 0.0000 34285.2534 -148854.7492 299.4216 -183140.0025 -148757.6159 300.3411 -189.1516 -152.4226 559088.5896 -18.5137 -18.4349 PRESSURE: 1113400 -207.241 -3.95328 -69.5305 -3.95325 -119.272 -57.9996 -69.5311 -58.0001 -220.315 GPRESSURE: 1113400 -253.62 -50.4678 -66.8444 41.934 -27.4762 -113.763 -58.3489 -39.6235 -163.028 PRESSAVG: 1113400 -0.326698 51.2668 12.2673 51.2668 -43.2848 -34.3541 12.2673 -34.3541 44.1126 GPRESSAVG: 1113400 -0.553423 48.5427 13.4929 52.1389 -42.371 -33.8967 11.88 -34.4889 42.9977 TIMING: 1113400 CPU: 3304.34, 0.00296643/step Wall: 3304.34, 0.00296643/step, 3.20259 hours remaining, 206.898438 MB of memory in use. ENERGY: 1113400 740.0255 2128.0004 1934.7083 113.3325 -205558.6529 17561.7857 0.0000 0.0000 34254.3823 -148826.4183 299.1520 -183080.8006 -148733.8638 299.6771 -182.2761 -148.0412 559657.7844 0.1670 0.0244 PRESSURE: 1113600 -179.473 64.821 -66.6298 64.8205 -12.014 146.852 -66.6302 146.853 -46.3174 GPRESSURE: 1113600 -92.6259 135.629 -89.2364 29.1904 4.7932 226.149 6.94628 138.301 -40.6111 PRESSAVG: 1113600 -15.0588 8.35877 0.722541 8.35879 -15.4373 18.5881 0.722527 18.588 25.1926 GPRESSAVG: 1113600 -14.4253 11.3332 -0.776041 7.68801 -15.5417 20.3718 2.49571 17.3984 24.9098 TIMING: 1113600 CPU: 3304.93, 0.00295304/step Wall: 3304.93, 0.00295304/step, 3.18797 hours remaining, 206.898438 MB of memory in use. ENERGY: 1113600 689.7290 2146.1252 1941.0979 118.2766 -205613.1050 17549.0322 0.0000 0.0000 34158.6651 -149010.1790 298.3161 -183168.8441 -148919.4911 299.7731 -79.2681 -42.8146 558656.6160 -1.7679 -1.6858 PRESSURE: 1113800 -138.588 46.7763 91.5196 46.7762 -143.614 77.7855 91.5192 77.7855 -62.3216 GPRESSURE: 1113800 -126.053 24.6509 152.086 53.9227 -124.946 -55.2649 64.0463 209.229 5.92126 PRESSAVG: 1113800 -9.583 -3.86337 -54.1727 -3.86331 -89.786 49.2439 -54.1728 49.2439 50.8951 GPRESSAVG: 1113800 -9.53283 -5.79937 -52.7038 -4.92883 -90.6843 47.9581 -56.1859 50.3918 51.7794 TIMING: 1113800 CPU: 3305.52, 0.00296009/step Wall: 3305.52, 0.00296009/step, 3.19542 hours remaining, 206.898438 MB of memory in use. ENERGY: 1113800 696.7987 2067.8563 1971.8897 117.3928 -205643.8658 17591.6704 0.0000 0.0000 34296.5045 -148901.7533 299.5199 -183198.2579 -148809.7273 299.3347 -114.8411 -81.6924 558162.8048 -16.1580 -16.1459 PRESSURE: 1114000 -351.738 -61.8646 95.658 -61.8638 -121.542 0.604641 95.6593 0.604344 -184.98 GPRESSURE: 1114000 -302.33 -23.3599 95.2431 -121.014 -103.915 -27.2938 152.426 44.8516 -157.812 PRESSAVG: 1114000 -26.5603 -36.3854 -11.3757 -36.3854 -31.679 0.0318142 -11.3756 0.0319774 9.86193 GPRESSAVG: 1114000 -25.6683 -35.7423 -10.338 -35.4509 -32.0086 0.387516 -9.44848 -0.829056 9.58189 TIMING: 1114000 CPU: 3306.12, 0.00297629/step Wall: 3306.12, 0.00297629/step, 3.21274 hours remaining, 206.898438 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: 1114000 738.2081 2069.3425 1962.2250 115.7261 -205730.7180 17509.2613 0.0000 0.0000 34409.9913 -148925.9638 300.5110 -183335.9550 -148835.1742 300.0152 -219.4199 -188.0192 559629.8361 -16.1258 -16.0317 PRESSURE: 1114200 65.0455 -47.082 -92.1081 -47.082 14.5288 13.9385 -92.1072 13.9391 -119.289 GPRESSURE: 1114200 64.692 38.6521 -43.0998 13.0155 56.1318 30.9185 -49.4863 44.0121 -58.5888 PRESSAVG: 1114200 -19.4723 -45.4046 -13.957 -45.4046 37.151 11.7746 -13.957 11.7746 -7.82929 GPRESSAVG: 1114200 -19.4856 -42.5951 -15.6373 -45.5249 37.1229 10.115 -13.1313 12.2158 -7.94816 TIMING: 1114200 CPU: 3306.72, 0.00300795/step Wall: 3306.72, 0.00300795/step, 3.24675 hours remaining, 207.019531 MB of memory in use. ENERGY: 1114200 713.2692 2072.4154 1965.0199 115.5632 -205987.9861 17691.7097 0.0000 0.0000 34439.2745 -148990.7342 300.7667 -183430.0087 -148896.6079 300.2916 -13.2384 20.7450 557969.7310 3.2831 3.2297 PRESSURE: 1114400 424.655 112.67 102.615 112.669 175.557 59.0679 102.616 59.0665 4.23622 GPRESSURE: 1114400 360.94 142.77 101.279 119.316 240.53 8.12433 99.0259 51.711 92.9635 PRESSAVG: 1114400 49.4861 -17.9578 20.027 -17.9578 29.8425 -7.38386 20.027 -7.38392 -71.3531 GPRESSAVG: 1114400 48.4657 -21.1753 20.9581 -15.9989 29.7514 -5.59084 17.596 -9.48711 -70.3073 TIMING: 1114400 CPU: 3307.32, 0.00299045/step Wall: 3307.32, 0.00299045/step, 3.22769 hours remaining, 207.089844 MB of memory in use. ENERGY: 1114400 743.3576 2126.5555 1953.0381 115.2783 -206525.2597 18163.0275 0.0000 0.0000 34441.6177 -148982.3851 300.7872 -183424.0028 -148881.9249 300.3483 201.4828 231.4777 556438.9853 2.6585 2.6366 PRESSURE: 1114600 -298.521 14.1176 -30.6248 14.1187 118.146 -85.8011 -30.6249 -85.7998 -187.229 GPRESSURE: 1114600 -248.549 29.3708 -99.6161 -8.58852 115.226 -56.2996 -15.3577 -35.7542 -136.375 PRESSAVG: 1114600 -11.5151 12.9398 -13.563 12.9398 40.995 58.4547 -13.5629 58.4546 -31.8862 GPRESSAVG: 1114600 -10.7691 13.2156 -14.836 11.5177 41.0097 58.3542 -11.9441 60.3877 -32.7051 TIMING: 1114600 CPU: 3307.92, 0.00300507/step Wall: 3307.92, 0.00300507/step, 3.2433 hours remaining, 207.089844 MB of memory in use. ENERGY: 1114600 736.2143 2018.1629 1957.9685 111.4157 -205685.4099 17559.6224 0.0000 0.0000 34425.4317 -148876.5944 300.6459 -183302.0261 -148778.4497 300.5272 -122.5346 -89.8989 558190.6079 -0.8021 -0.8215 PRESSURE: 1114800 -113.555 92.8517 142.707 92.8525 -161.316 48.0276 142.706 48.0273 91.0568 GPRESSURE: 1114800 -85.0882 61.6363 110.593 151.232 -133.428 36.1392 222.977 1.53829 138.822 PRESSAVG: 1114800 -11.2215 34.7849 -6.82309 34.7849 5.92894 3.0997 -6.82309 3.0997 0.170352 GPRESSAVG: 1114800 -12.1864 35.2629 -6.28183 34.7409 7.65582 3.28881 -6.26112 2.01634 -0.190445 TIMING: 1114800 CPU: 3308.51, 0.00298073/step Wall: 3308.51, 0.00298073/step, 3.21687 hours remaining, 207.089844 MB of memory in use. ENERGY: 1114800 705.6272 2052.8206 1959.9991 105.3897 -205624.5026 17567.2685 0.0000 0.0000 34270.0902 -148963.3072 299.2892 -183233.3974 -148866.2949 300.1029 -61.2716 -26.5645 557863.4685 -1.7074 -1.5737 PRESSURE: 1115000 30.7674 97.8354 -119.088 97.8343 -27.0974 0.173703 -119.089 0.173026 -90.223 GPRESSURE: 1115000 105.302 128.348 -146.15 132.462 79.6301 95.0177 -88.337 22.9491 -171.353 PRESSAVG: 1115000 51.5567 14.2606 -11.5908 14.2606 -53.9212 64.6975 -11.5908 64.6974 15.9978 GPRESSAVG: 1115000 53.5195 14.2178 -12.6342 15.5 -55.2103 66.3429 -11.8293 63.6228 15.2445 TIMING: 1115000 CPU: 3309.11, 0.00300387/step Wall: 3309.11, 0.00300387/step, 3.24168 hours remaining, 207.089844 MB of memory in use. ENERGY: 1115000 743.0601 2077.7257 1946.6322 99.1825 -205809.5048 17747.8158 0.0000 0.0000 34135.7025 -149059.3860 298.1156 -183195.0884 -148965.0666 299.5745 -28.8510 4.5263 558880.1481 4.5444 4.5179 PRESSURE: 1115200 -127.906 18.449 57.4036 18.4489 96.6243 -91.9549 57.4034 -91.9542 -26.4899 GPRESSURE: 1115200 -31.4868 56.097 118.273 -2.34982 95.5545 -178.154 54.2254 -25.6323 -13.4395 PRESSAVG: 1115200 -41.5636 29.3639 19.225 29.3639 19.7294 -7.62822 19.225 -7.62821 7.46165 GPRESSAVG: 1115200 -41.9429 28.6488 20.4839 30.1152 20.2146 -8.45149 17.7065 -5.61197 7.84801 TIMING: 1115200 CPU: 3309.72, 0.00305076/step Wall: 3309.72, 0.00305076/step, 3.29211 hours remaining, 207.089844 MB of memory in use. ENERGY: 1115200 733.9011 2081.9344 1951.2678 93.2137 -205901.6521 17787.6649 0.0000 0.0000 34221.8283 -149031.8418 298.8677 -183253.6701 -148937.9570 299.7041 -19.2571 16.8761 557219.9755 -4.7909 -4.6268 PRESSURE: 1115400 -46.7986 42.0008 -112.883 42.0013 -121.274 -79.0221 -112.883 -79.0206 -77.7452 GPRESSURE: 1115400 -16.8037 -67.0751 -104.771 61.6491 -118.964 -88.6372 -158.535 -89.7841 -11.4422 PRESSAVG: 1115400 -5.27562 34.5178 -27.0676 34.5179 7.4964 40.0576 -27.0676 40.0576 26.482 GPRESSAVG: 1115400 -5.10394 34.9096 -27.3702 34.3602 6.54142 38.6731 -25.986 41.2851 26.8742 TIMING: 1115400 CPU: 3310.32, 0.00297495/step Wall: 3310.32, 0.00297495/step, 3.21014 hours remaining, 207.089844 MB of memory in use. ENERGY: 1115400 756.1274 2151.6822 1953.8155 109.7081 -206012.8082 17612.8318 0.0000 0.0000 34339.3783 -149089.2649 299.8943 -183428.6432 -148996.9701 299.0262 -81.9392 -49.0699 558551.6681 9.5676 9.4372 PRESSURE: 1115600 -197.95 -56.2707 -20.5096 -56.2718 -173.998 9.10278 -20.5095 9.10315 -69.7525 GPRESSURE: 1115600 -123.236 -20.6746 46.4302 -126.322 -194.44 44.2124 -76.047 16.3545 -30.147 PRESSAVG: 1115600 53.3859 4.50706 -1.28628 4.507 -25.1012 3.75535 -1.28624 3.75543 -12.8967 GPRESSAVG: 1115600 51.4451 3.79241 0.323262 5.04112 -23.3275 5.62305 -1.55288 2.90448 -12.6916 TIMING: 1115600 CPU: 3310.91, 0.00297111/step Wall: 3310.91, 0.00297111/step, 3.20583 hours remaining, 207.089844 MB of memory in use. ENERGY: 1115600 765.5062 2039.1866 1943.9645 125.6155 -205532.0451 17672.2941 0.0000 0.0000 34052.6119 -148932.8663 297.3899 -182985.4782 -148845.9815 299.2337 -147.2338 -115.9410 558931.2448 5.1293 5.1420 PRESSURE: 1115800 -276.372 -23.3699 41.7579 -23.3695 50.3571 7.743 41.7588 7.74242 -26.2641 GPRESSURE: 1115800 -213.545 30.8032 76.7243 -18.8661 14.8476 -1.62806 18.4697 -86.8801 45.3712 PRESSAVG: 1115800 -8.74743 -22.9057 37.1602 -22.9057 26.0706 45.7779 37.1602 45.7778 -3.90118 GPRESSAVG: 1115800 -7.56465 -21.6897 35.8997 -23.9157 25.2984 43.0654 36.9986 45.9457 -5.22345 TIMING: 1115800 CPU: 3311.51, 0.00298138/step Wall: 3311.51, 0.00298138/step, 3.21675 hours remaining, 207.089844 MB of memory in use. ENERGY: 1115800 731.4390 2087.3271 1948.0265 113.7773 -205670.5128 17561.0215 0.0000 0.0000 34260.4613 -148968.4601 299.2051 -183228.9214 -148875.8224 299.7903 -84.0929 -51.1089 558842.2614 4.4740 4.1701 PRESSURE: 1116000 -360.2 83.2832 -3.10075 83.2843 -213.757 189.226 -3.10024 189.226 -297.831 GPRESSURE: 1116000 -309.683 51.0855 30.1219 71.9351 -215.775 259.439 -9.70922 143.691 -255.827 PRESSAVG: 1116000 -10.7094 31.8466 -20.5312 31.8466 54.7879 41.7117 -20.5313 41.7117 -0.133477 GPRESSAVG: 1116000 -10.9486 32.3036 -19.47 30.393 54.0026 42.4895 -21.2915 40.8955 0.595613 TIMING: 1116000 CPU: 3312.12, 0.00302794/step Wall: 3312.12, 0.00302794/step, 3.26681 hours remaining, 207.089844 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: 1116000 729.9388 2051.0874 1959.9142 104.5606 -205173.6691 17174.5316 0.0000 0.0000 34361.9024 -148791.7341 300.0910 -183153.6366 -148690.3568 299.6735 -290.5960 -260.4280 559208.1326 14.6483 14.5499 PRESSURE: 1116200 -138.255 201.622 17.1149 201.623 41.056 40.1774 17.1141 40.1776 -302.208 GPRESSURE: 1116200 -149.732 187.276 74.5894 178.36 42.8464 47.2692 -15.029 -12.1682 -189.994 PRESSAVG: 1116200 -34.0531 -11.2961 16.5949 -11.2961 31.404 43.2425 16.5949 43.2425 -26.2847 GPRESSAVG: 1116200 -34.2175 -13.8054 16.9875 -9.62042 33.754 43.346 15.9957 41.5344 -28.1636 TIMING: 1116200 CPU: 3312.71, 0.00298755/step Wall: 3312.71, 0.00298755/step, 3.22307 hours remaining, 207.089844 MB of memory in use. ENERGY: 1116200 743.9245 2112.8022 1950.5324 108.0380 -206067.7119 17746.9462 0.0000 0.0000 34341.1644 -149064.3042 299.9099 -183405.4686 -148967.2823 300.2578 -133.1358 -98.9600 558806.4849 -9.6446 -9.5423 LDB: ============= START OF LOAD BALANCING ============== 3316.14 LDB: ============== END OF LOAD BALANCING =============== 3316.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3316.14 LDB: ============= START OF LOAD BALANCING ============== 3316.44 LDB: Largest compute 4821 load 0.026697 is 22.7% of average load 0.117855 LDB: Average compute 0.001711 is 1.5% of average load 0.117855 LDB: TIME 3316.44 LOAD: AVG 0.117855 MAX 0.199935 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 3316.44 LOAD: AVG 0.117855 MAX 0.199935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: TIME 3316.44 LOAD: AVG 0.117855 MAX 0.199935 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3316.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3316.45 PRESSURE: 1116400 -160.57 -16.3089 117.837 -16.3087 80.6484 -78.5757 117.835 -78.5774 129.439 GPRESSURE: 1116400 -135.065 -99.282 130.074 -42.4909 87.0865 -138.988 109.992 14.3603 196.851 PRESSAVG: 1116400 -22.0328 -15.5427 34.5434 -15.5427 -17.8832 0.301209 34.5434 0.301244 29.5732 GPRESSAVG: 1116400 -21.0585 -13.0014 35.4739 -15.6716 -19.124 0.407901 34.1383 2.80548 29.5618 TIMING: 1116400 CPU: 3313.32, 0.0030324/step Wall: 3313.32, 0.0030324/step, 3.27128 hours remaining, 206.707031 MB of memory in use. ENERGY: 1116400 722.4742 2094.4608 1947.3306 118.3488 -206271.7490 17852.1325 0.0000 0.0000 34333.2823 -149203.7197 299.8411 -183537.0020 -149111.0244 299.1906 16.5058 49.6244 558859.8728 -3.4476 -3.5402 PRESSURE: 1116600 -287.674 -54.2626 115.501 -54.2641 198.642 163.137 115.5 163.138 -160.577 GPRESSURE: 1116600 -262.72 -106.882 96.207 -79.0435 196.461 170.265 114.767 129.051 -93.0475 PRESSAVG: 1116600 14.0894 13.948 3.92079 13.948 -8.1358 19.2848 3.92078 19.2848 22.1529 GPRESSAVG: 1116600 13.0432 10.5337 2.56573 14.2786 -8.1163 20.56 2.93714 18.366 22.7835 TIMING: 1116600 CPU: 3313.92, 0.00299147/step Wall: 3313.92, 0.00299147/step, 3.22697 hours remaining, 206.906250 MB of memory in use. ENERGY: 1116600 774.2966 2085.4242 1955.8390 108.6426 -206260.8995 17844.7682 0.0000 0.0000 34292.3930 -149199.5359 299.4840 -183491.9289 -149110.1304 299.0801 -83.2031 -53.1021 558308.6236 9.3688 9.2368 PRESSURE: 1116800 100.588 -96.1352 162.558 -96.1353 -21.1617 29.1315 162.559 29.1307 132.23 GPRESSURE: 1116800 122.702 -54.663 125.804 -64.8723 -36.0169 -71.3926 153.806 64.0134 210.171 PRESSAVG: 1116800 -10.9581 -30.3213 -7.18671 -30.3212 -34.7741 42.4469 -7.18678 42.4469 27.7411 GPRESSAVG: 1116800 -10.6393 -30.3362 -7.46548 -28.3938 -35.8037 40.7854 -4.17908 42.9848 28.6776 TIMING: 1116800 CPU: 3314.52, 0.00301496/step Wall: 3314.52, 0.00301496/step, 3.25213 hours remaining, 206.906250 MB of memory in use. ENERGY: 1116800 737.7872 2074.3883 1948.1745 111.6649 -206321.7971 17990.1630 0.0000 0.0000 34208.1398 -149251.4795 298.7482 -183459.6193 -149152.5048 298.7051 70.5523 98.9519 559058.4459 -5.9970 -5.9218 PRESSURE: 1117000 99.8573 96.167 -59.1035 96.1679 -72.0556 57.2954 -59.1049 57.296 26.6958 GPRESSURE: 1117000 124.049 56.0138 -136.181 110.777 -96.1858 -79.665 -42.1189 139.825 109.225 PRESSAVG: 1117000 -18.4849 7.22922 -27.7171 7.22922 -16.6609 6.48859 -27.717 6.48851 44.2605 GPRESSAVG: 1117000 -18.777 8.87222 -26.6986 6.26914 -15.0321 5.63783 -30.0798 6.44195 42.5467 TIMING: 1117000 CPU: 3315.12, 0.00297645/step Wall: 3315.12, 0.00297645/step, 3.21043 hours remaining, 206.906250 MB of memory in use. ENERGY: 1117000 731.6562 2065.5281 1931.1479 123.8653 -206222.0678 17872.9420 0.0000 0.0000 34220.2406 -149276.6878 298.8539 -183496.9284 -149187.1842 299.0903 18.1658 45.6962 558512.8921 3.0382 2.9125 PRESSURE: 1117200 134.778 19.9916 49.161 19.9906 69.8211 119.551 49.1607 119.551 288.461 GPRESSURE: 1117200 138.094 6.09857 60.6726 27.1077 104.487 141.804 114.978 15.7418 333.948 PRESSAVG: 1117200 -37.8661 43.8923 -9.21498 43.8924 -25.084 -27.7094 -9.21507 -27.7095 74.4219 GPRESSAVG: 1117200 -38.7628 44.8929 -8.56935 43.3027 -26.1737 -25.3374 -10.3499 -29.1842 76.2549 TIMING: 1117200 CPU: 3315.71, 0.00295062/step Wall: 3315.71, 0.00295062/step, 3.18241 hours remaining, 206.906250 MB of memory in use. ENERGY: 1117200 720.9910 2092.3983 1970.0109 132.4113 -206718.2370 18107.4768 0.0000 0.0000 34312.3921 -149382.5567 299.6587 -183694.9488 -149286.5640 299.1321 164.3532 192.1761 557473.6266 3.8240 3.7728 PRESSURE: 1117400 -51.9999 228.344 -62.635 228.345 -70.6742 90.633 -62.6345 90.6349 5.32968 GPRESSURE: 1117400 -76.874 146.579 -94.452 251.785 15.98 108.936 -87.8473 23.2936 42.6106 PRESSAVG: 1117400 -6.72409 18.2245 0.528197 18.2244 -20.5813 -17.6183 0.528214 -17.6182 6.64904 GPRESSAVG: 1117400 -6.80555 18.0855 -0.901395 18.4535 -20.1546 -18.3723 2.04374 -16.5948 5.90221 TIMING: 1117400 CPU: 3316.3, 0.00295167/step Wall: 3316.3, 0.00295166/step, 3.18337 hours remaining, 206.906250 MB of memory in use. ENERGY: 1117400 740.9691 2085.8612 1936.3658 109.2295 -206490.3924 17891.5467 0.0000 0.0000 34162.7045 -149563.7156 298.3514 -183726.4201 -149471.9275 298.6206 -39.1148 -6.0945 558355.3727 -6.8855 -7.0193 PRESSURE: 1117600 -165.554 43.0927 -66.7498 43.0912 -55.5391 79.3907 -66.7501 79.3889 94.4282 GPRESSURE: 1117600 -126.799 24.7772 6.01619 -23.8301 -74.5431 86.4112 -90.2707 58.8424 167.811 PRESSAVG: 1117600 26.535 48.847 -57.9558 48.847 -41.9774 -32.76 -57.9557 -32.7599 43.614 GPRESSAVG: 1117600 25.7081 49.2913 -57.1487 46.2596 -41.4198 -32.0997 -57.3123 -33.6881 44.1525 TIMING: 1117600 CPU: 3316.89, 0.00298995/step Wall: 3316.89, 0.00298996/step, 3.2245 hours remaining, 206.906250 MB of memory in use. ENERGY: 1117600 742.5879 2063.1949 1946.9013 119.8798 -206414.9064 17953.3650 0.0000 0.0000 34262.8014 -149326.1762 299.2256 -183588.9776 -149230.2345 298.4638 -42.2216 -11.1769 559122.1328 9.3905 9.4803 PRESSURE: 1117800 -108.444 31.7685 47.7002 31.7699 29.277 -1.08651 47.7001 -1.08545 40.3792 GPRESSURE: 1117800 -17.7771 -46.572 -13.6059 84.1623 2.84282 62.8575 118.738 -41.55 81.2759 PRESSAVG: 1117800 24.5861 24.229 -10.4045 24.229 -24.2766 -51.277 -10.4045 -51.2769 13.5846 GPRESSAVG: 1117800 26.2354 23.6441 -10.7695 26.8007 -25.2658 -53.8105 -9.20034 -50.0425 12.9684 TIMING: 1117800 CPU: 3317.49, 0.00297048/step Wall: 3317.49, 0.00297048/step, 3.20333 hours remaining, 206.906250 MB of memory in use. ENERGY: 1117800 755.4727 2144.8902 1946.9066 106.0706 -206445.2615 17912.4371 0.0000 0.0000 34230.4771 -149349.0071 298.9433 -183579.4842 -149258.2032 299.5835 -12.9293 22.1138 558223.1280 4.6314 4.6460 PRESSURE: 1118000 -9.16542 89.6717 44.0164 89.6722 176.541 -29.7271 44.0185 -29.7261 117.464 GPRESSURE: 1118000 57.5275 101.288 -18.8656 -13.8403 224.16 31.7652 131.699 -63.8136 104.791 PRESSAVG: 1118000 -19.0752 13.8855 -16.3824 13.8855 72.951 60.8591 -16.3823 60.859 -17.2867 GPRESSAVG: 1118000 -20.2207 14.2672 -16.8145 12.2798 73.8548 62.2112 -17.0559 61.6906 -17.1637 TIMING: 1118000 CPU: 3318.08, 0.00296938/step Wall: 3318.08, 0.00296938/step, 3.20198 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: 1118000 742.6143 2057.1544 1909.8520 99.3389 -206039.8046 17956.8127 0.0000 0.0000 34231.7619 -149042.2704 298.9545 -183274.0323 -148947.4980 299.0939 94.9466 128.8263 556672.1230 12.1964 12.1568 PRESSURE: 1118200 -353.781 -48.7811 31.677 -48.7815 -51.3946 154.88 31.6764 154.882 -311.13 GPRESSURE: 1118200 -330.302 -133.103 86.5171 -75.9882 -11.9648 256.439 62.2426 124.353 -277.463 PRESSAVG: 1118200 -7.17875 16.135 27.2452 16.1351 44.27 25.6362 27.2452 25.6362 -44.8755 GPRESSAVG: 1118200 -6.96804 15.4246 28.752 17.9772 43.3997 25.2104 26.3057 23.4107 -44.4156 TIMING: 1118200 CPU: 3318.68, 0.00299042/step Wall: 3318.68, 0.00299042/step, 3.22451 hours remaining, 206.906250 MB of memory in use. ENERGY: 1118200 763.8101 2091.9118 1964.0617 103.4079 -206005.8594 17537.4731 0.0000 0.0000 34427.8003 -149117.3944 300.6665 -183545.1947 -149021.5536 299.8107 -238.7687 -206.5765 558611.3068 -2.5948 -2.6613 PRESSURE: 1118400 8.7154 -147.39 51.7364 -147.39 -214.173 222.955 51.7367 222.955 -107.291 GPRESSURE: 1118400 38.542 -79.356 5.4202 -188.731 -179.397 131.847 82.1917 313.475 -71.7235 PRESSAVG: 1118400 -23.91 -28.7967 -26.0714 -28.7967 -14.9742 30.5438 -26.0714 30.5438 52.1067 GPRESSAVG: 1118400 -24.2725 -28.4895 -27.5798 -28.923 -14.5067 31.2428 -26.2192 31.2235 51.4647 TIMING: 1118400 CPU: 3319.27, 0.00296526/step Wall: 3319.27, 0.00296526/step, 3.19721 hours remaining, 206.906250 MB of memory in use. ENERGY: 1118400 762.9733 2056.6530 1936.8594 115.4243 -206350.8612 17810.7376 0.0000 0.0000 34355.6323 -149312.5812 300.0363 -183668.2136 -149216.1378 299.3954 -104.2496 -70.8594 557892.4566 4.4075 4.2285 PRESSURE: 1118600 -286.682 119.623 11.1203 119.623 112.101 -167.407 11.1209 -167.406 148.714 GPRESSURE: 1118600 -225.719 10.2203 -73.7627 114.439 111.557 -217.392 -9.28761 -196.099 191.37 PRESSAVG: 1118600 -39.4372 17.7154 5.56906 17.7152 72.8892 43.336 5.56898 43.336 16.5626 GPRESSAVG: 1118600 -38.9383 17.4264 5.79839 17.72 71.7534 41.2631 4.95824 44.6038 17.1818 TIMING: 1118600 CPU: 3319.87, 0.00297115/step Wall: 3319.87, 0.00297115/step, 3.2034 hours remaining, 206.906250 MB of memory in use. ENERGY: 1118600 738.8873 2079.3535 1938.5601 114.6210 -206252.4237 17814.4674 0.0000 0.0000 34279.8664 -149286.6679 299.3746 -183566.5343 -149193.2407 299.0188 -8.6224 25.7360 557636.8338 16.6716 16.6656 PRESSURE: 1118800 -104.441 -118.69 -21.2534 -118.691 -117.012 145.43 -21.2539 145.43 205.228 GPRESSURE: 1118800 -26.0825 -125.172 -5.05036 -121.425 -62.3539 157.672 37.7469 53.9981 168.93 PRESSAVG: 1118800 18.612 18.1882 22.7579 18.1883 -12.5338 -8.42989 22.7579 -8.42965 -11.9325 GPRESSAVG: 1118800 17.618 19.6623 23.3371 17.1518 -10.8504 -6.25848 22.9267 -10.9672 -12.5449 TIMING: 1118800 CPU: 3320.46, 0.0029804/step Wall: 3320.46, 0.0029804/step, 3.2132 hours remaining, 206.906250 MB of memory in use. ENERGY: 1118800 690.8331 2135.4432 1934.8882 118.5670 -206587.4163 17906.1159 0.0000 0.0000 34453.9200 -149347.6490 300.8947 -183801.5689 -149247.1072 298.9510 -5.4084 26.8313 557714.8220 -1.9515 -1.9258 PRESSURE: 1119000 50.4278 -36.5049 -158.425 -36.5052 -226.846 149.286 -158.425 149.289 -102.512 GPRESSURE: 1119000 96.4369 -100.311 -152.879 30.0914 -193.199 185.857 -106.169 70.1241 -82.4993 PRESSAVG: 1119000 3.49935 -17.8182 26.2566 -17.8182 -3.91249 17.3965 26.2566 17.3966 -58.9512 GPRESSAVG: 1119000 2.72477 -18.6407 26.8223 -17.4282 -5.21653 16.8765 28.4204 17.4683 -57.2706 TIMING: 1119000 CPU: 3321.06, 0.00297928/step Wall: 3321.06, 0.00297928/step, 3.21182 hours remaining, 206.906250 MB of memory in use. ENERGY: 1119000 756.7455 2132.3919 1951.8546 129.0923 -206152.5887 17700.5434 0.0000 0.0000 34020.4748 -149461.4862 297.1093 -183481.9610 -149369.3179 298.6426 -92.9764 -59.7538 556687.3587 -19.7881 -19.9208 PRESSURE: 1119200 -319.979 17.4505 -146.322 17.4498 -205.32 -35.5341 -146.323 -35.535 -412.343 GPRESSURE: 1119200 -234.418 -14.7699 -183.221 -71.4255 -224.524 -123.642 -132.664 27.8184 -389.839 PRESSAVG: 1119200 32.9203 10.3266 -25.694 10.3266 18.4349 -43.9799 -25.6941 -43.98 -14.796 GPRESSAVG: 1119200 32.9341 12.4666 -26.8126 8.37844 19.2629 -45.775 -25.904 -43.0329 -15.9275 TIMING: 1119200 CPU: 3321.66, 0.0029941/step Wall: 3321.66, 0.0029941/step, 3.22764 hours remaining, 206.906250 MB of memory in use. ENERGY: 1119200 781.6235 2128.1273 1943.4827 117.7202 -206003.8645 17379.1926 0.0000 0.0000 34351.6378 -149302.0806 300.0014 -183653.7183 -149207.2885 298.5861 -312.5473 -282.9272 557657.5916 12.1864 12.0898 PRESSURE: 1119400 -113.548 97.5324 -148.942 97.5334 46.554 -81.4945 -148.943 -81.4953 -184.036 GPRESSURE: 1119400 -129.591 88.6641 -84.503 18.437 54.0965 22.7124 -131.957 -128.21 -87.8092 PRESSAVG: 1119400 -4.03636 -0.0662404 -2.38181 -0.0662783 18.0113 -25.6754 -2.38175 -25.6754 -27.0201 GPRESSAVG: 1119400 -3.42449 -0.297189 0.161749 0.904252 17.591 -22.3361 -5.52835 -27.8097 -27.1557 TIMING: 1119400 CPU: 3322.26, 0.00299581/step Wall: 3322.26, 0.00299581/step, 3.22931 hours remaining, 206.906250 MB of memory in use. ENERGY: 1119400 747.7016 2077.5102 1955.2031 118.5221 -205899.9564 17741.4798 0.0000 0.0000 34215.8649 -149043.6747 298.8157 -183259.5396 -148938.7109 299.3052 -83.6764 -54.4345 559342.9371 -4.3484 -4.3297 PRESSURE: 1119600 221.437 49.0623 12.659 49.0623 -53.5302 -131.207 12.6604 -131.206 57.5527 GPRESSURE: 1119600 173.07 70.2111 -62.4605 142.386 26.415 -141.868 59.6871 -142.6 110.22 PRESSAVG: 1119600 34.2065 -43.9755 0.34982 -43.9755 26.7523 35.1223 0.349882 35.1223 -1.6171 GPRESSAVG: 1119600 34.3416 -45.933 -0.436972 -43.5383 26.3616 32.2143 1.18064 35.579 -1.5803 TIMING: 1119600 CPU: 3322.86, 0.00299208/step Wall: 3322.86, 0.00299208/step, 3.22513 hours remaining, 206.906250 MB of memory in use. ENERGY: 1119600 790.1460 2091.4482 1941.5743 111.7850 -206035.0962 17909.4278 0.0000 0.0000 34356.9648 -148833.7502 300.0479 -183190.7149 -148729.3170 299.4853 75.1532 103.2350 557978.0507 19.7806 19.7076 PRESSURE: 1119800 -152.624 73.639 -20.7078 73.6384 -199.138 -130.068 -20.7072 -130.067 108.193 GPRESSURE: 1119800 -119.265 88.7653 -37.42 33.7414 -190.354 -131.749 -8.25384 -100.029 160.579 PRESSAVG: 1119800 -15.4719 13.4036 15.8856 13.4035 -86.431 1.55316 15.8856 1.55316 55.2577 GPRESSAVG: 1119800 -15.1237 14.0217 14.5129 14.2577 -86.705 2.07946 17.4706 1.41603 55.123 TIMING: 1119800 CPU: 3323.46, 0.00301264/step Wall: 3323.46, 0.00301264/step, 3.24713 hours remaining, 206.906250 MB of memory in use. ENERGY: 1119800 718.2235 2082.0500 1915.0829 108.2340 -205364.5160 17375.1428 0.0000 0.0000 34296.3679 -148869.4148 299.5187 -183165.7826 -148777.0878 300.5394 -81.1896 -49.6802 557588.4730 -15.5484 -15.5686 PRESSURE: 1120000 -117.16 1.94285 -51.3531 1.94321 -66.2523 190.796 -51.353 190.796 30.4603 GPRESSURE: 1120000 -93.7535 -17.9029 -99.2289 14.4202 -42.6758 149.282 -10.0291 199.588 77.0436 PRESSAVG: 1120000 -1.21875 36.4948 41.2419 36.4948 -26.0319 30.3011 41.2419 30.3012 27.5862 GPRESSAVG: 1120000 -1.05528 35.7315 42.735 36.12 -25.844 29.0153 39.8682 31.0226 28.1621 TIMING: 1120000 CPU: 3324.05, 0.00296595/step Wall: 3324.05, 0.00296595/step, 3.19664 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: 1120000 753.3599 2140.8224 1935.0766 124.4051 -205718.8183 17566.3069 0.0000 0.0000 34362.0014 -148836.8459 300.0919 -183198.8474 -148741.2442 299.9139 -50.9841 -19.7952 557838.6733 0.1119 0.4209 PRESSURE: 1120200 -138.812 28.4179 -165.795 28.4177 -189.35 239.979 -165.795 239.981 4.10847 GPRESSURE: 1120200 -109.661 37.8942 -134.394 -22.6479 -167.513 264.282 -89.4345 230.455 50.8533 PRESSAVG: 1120200 -27.677 -14.4791 34.3571 -14.479 55.7569 68.5231 34.3572 68.523 30.6385 GPRESSAVG: 1120200 -28.2169 -14.7152 35.7725 -14.0056 56.1746 70.4584 33.004 68.2948 30.8167 TIMING: 1120200 CPU: 3324.65, 0.00296938/step Wall: 3324.65, 0.00296938/step, 3.20016 hours remaining, 206.906250 MB of memory in use. ENERGY: 1120200 718.9264 2108.1585 1897.8916 105.7100 -205895.3333 17519.2572 0.0000 0.0000 34780.0804 -148765.3092 303.7431 -183545.3896 -148673.9420 300.6362 -108.0176 -75.4403 556837.9975 19.5728 19.5915 LDB: ============= START OF LOAD BALANCING ============== 3328.08 LDB: ============== END OF LOAD BALANCING =============== 3328.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3328.08 LDB: ============= START OF LOAD BALANCING ============== 3328.38 LDB: Largest compute 4821 load 0.027901 is 23.7% of average load 0.117903 LDB: Average compute 0.001720 is 1.5% of average load 0.117903 LDB: TIME 3328.38 LOAD: AVG 0.117903 MAX 0.198264 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.195 MB LDB: TIME 3328.38 LOAD: AVG 0.117903 MAX 0.198264 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.398 MB LDB: TIME 3328.38 LOAD: AVG 0.117903 MAX 0.198264 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3328.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3328.39 PRESSURE: 1120400 -10.4142 73.541 -6.38922 73.5397 -251.233 64.3558 -6.38943 64.3552 60.3532 GPRESSURE: 1120400 46.1791 -34.5572 47.0974 142.154 -244.791 22.3061 -53.553 41.4712 80.2527 PRESSAVG: 1120400 -10.5053 -22.7836 13.4868 -22.7837 -23.5471 15.7769 13.4868 15.7769 1.39319 GPRESSAVG: 1120400 -11.0707 -21.8621 12.0705 -24.649 -23.636 14.8573 15.3269 15.1513 1.78568 TIMING: 1120400 CPU: 3325.26, 0.0030523/step Wall: 3325.26, 0.0030523/step, 3.28936 hours remaining, 206.449219 MB of memory in use. ENERGY: 1120400 747.6821 2118.1602 1948.3912 111.5018 -205990.8666 17739.5640 0.0000 0.0000 34521.1042 -148804.4630 301.4814 -183325.5672 -148709.6059 300.3910 -67.0982 -39.4532 557622.3009 -10.8864 -10.9737 PRESSURE: 1120600 7.7838 46.6451 83.8326 46.6446 28.0873 244.948 83.8309 244.949 -184.444 GPRESSURE: 1120600 22.3069 -5.48468 81.3659 24.568 87.4184 385.101 95.0728 170.58 -164.67 PRESSAVG: 1120600 38.747 -18.7351 17.2091 -18.7352 -7.91001 27.8343 17.2091 27.8341 5.26654 GPRESSAVG: 1120600 39.1056 -18.7959 15.9345 -16.8158 -6.87213 30.0089 17.6191 28.8258 4.19887 TIMING: 1120600 CPU: 3325.85, 0.00297369/step Wall: 3325.85, 0.00297369/step, 3.20448 hours remaining, 206.652344 MB of memory in use. ENERGY: 1120600 736.9268 2078.3226 1933.9628 112.0486 -205222.7123 17456.4167 0.0000 0.0000 34358.1307 -148546.9041 300.0581 -182905.0348 -148454.9160 300.3301 -49.5242 -18.3147 557586.5677 12.0345 12.1441 PRESSURE: 1120800 41.9495 59.0549 133.551 59.0547 -42.3674 -11.7393 133.553 -11.74 -68.9213 GPRESSURE: 1120800 119.503 20.1695 94.5649 78.6404 17.2169 22.7833 195.164 -59.5122 -108.862 PRESSAVG: 1120800 -15.7207 -28.4862 65.1769 -28.4862 16.248 36.4806 65.1769 36.4808 -33.4848 GPRESSAVG: 1120800 -14.3895 -29.9939 65.8756 -28.8799 14.7026 36.4578 63.5648 35.7917 -32.9477 TIMING: 1120800 CPU: 3326.45, 0.00298411/step Wall: 3326.45, 0.00298411/step, 3.21554 hours remaining, 206.652344 MB of memory in use. ENERGY: 1120800 736.4826 2093.4182 1971.8346 140.1840 -205825.3576 17742.0376 0.0000 0.0000 34385.8867 -148755.5139 300.3005 -183141.4006 -148656.6054 300.9420 -23.1130 9.2862 557273.5579 -10.9858 -10.8782 PRESSURE: 1121000 -260.291 90.6573 149.485 90.6581 -355.948 -35.7744 149.484 -35.7758 -248.305 GPRESSURE: 1121000 -254.335 73.413 153.174 43.0393 -327.967 48.0053 161.105 -38.8664 -189.204 PRESSAVG: 1121000 49.2539 -24.0679 5.32568 -24.0678 -31.6245 27.1033 5.32566 27.1034 -29.1481 GPRESSAVG: 1121000 46.7011 -21.2228 5.76682 -23.2948 -30.7871 26.8965 5.68217 27.5564 -27.296 TIMING: 1121000 CPU: 3327.05, 0.00300022/step Wall: 3327.05, 0.00300022/step, 3.23274 hours remaining, 206.652344 MB of memory in use. ENERGY: 1121000 765.7758 2082.7926 1927.3621 120.6101 -205328.9119 17292.6750 0.0000 0.0000 34368.3286 -148771.3676 300.1472 -183139.6962 -148675.4067 300.4659 -288.1813 -257.1686 558293.6999 -3.8395 -3.7940 PRESSURE: 1121200 -76.0313 -43.9567 -72.0536 -43.9582 -88.9278 -96.6408 -72.0532 -96.6411 378.577 GPRESSURE: 1121200 2.45044 6.89746 11.7825 -146.917 -79.2815 -81.4596 -94.2185 -76.0669 379.242 PRESSAVG: 1121200 -44.4425 10.4101 45.116 10.4101 -54.0492 4.89323 45.1159 4.89322 82.6905 GPRESSAVG: 1121200 -42.2905 9.95953 44.0026 8.87798 -54.791 4.06804 44.7366 3.24764 80.6828 TIMING: 1121200 CPU: 3327.65, 0.00301873/step Wall: 3327.65, 0.00301873/step, 3.25251 hours remaining, 206.652344 MB of memory in use. ENERGY: 1121200 713.3181 2101.9360 1917.3138 109.1966 -205828.8753 17755.1828 0.0000 0.0000 34370.5673 -148861.3606 300.1667 -183231.9279 -148761.1994 299.8360 71.2060 100.8035 557884.3231 -5.2671 -5.4662 PRESSURE: 1121400 -232.643 93.7771 -33.3718 93.7775 -275.409 -108.19 -33.3719 -108.192 -253.907 GPRESSURE: 1121400 -191.597 135.508 -119.799 130.256 -205.378 -77.42 -21.6817 -107.432 -263.166 PRESSAVG: 1121400 -12.2554 -26.2088 44.3539 -26.2088 12.44 -39.868 44.354 -39.8681 13.1193 GPRESSAVG: 1121400 -13.6466 -26.396 45.8818 -25.0826 12.9258 -40.6791 45.2687 -37.244 13.8559 TIMING: 1121400 CPU: 3328.25, 0.00298967/step Wall: 3328.25, 0.00298967/step, 3.22104 hours remaining, 206.652344 MB of memory in use. ENERGY: 1121400 764.1791 2102.0704 1943.0952 99.6579 -205900.1762 17563.9206 0.0000 0.0000 34496.8944 -148930.3586 301.2700 -183427.2530 -148838.9655 300.5658 -253.9864 -220.0471 558321.0798 4.4346 4.3784 PRESSURE: 1121600 -153.795 -59.4913 16.4828 -59.4911 -119.219 62.5304 16.4825 62.5306 -91.726 GPRESSURE: 1121600 -83.2183 16.0094 82.651 -48.5049 -134.145 -89.9784 -85.2908 100.834 -47.2147 PRESSAVG: 1121600 -16.3748 -22.7366 -8.44793 -22.7366 -10.1066 -26.2494 -8.44785 -26.2494 24.0629 GPRESSAVG: 1121600 -15.691 -23.0497 -8.0609 -23.4579 -9.77013 -27.1996 -8.2835 -25.9093 23.3614 TIMING: 1121600 CPU: 3328.85, 0.00298372/step Wall: 3328.85, 0.00298372/step, 3.21446 hours remaining, 206.652344 MB of memory in use. ENERGY: 1121600 760.9848 2056.5452 1919.7208 106.0343 -205579.2927 17452.4579 0.0000 0.0000 34417.1179 -148866.4318 300.5733 -183283.5497 -148776.3405 300.3809 -121.5802 -88.1925 557721.5489 -0.8062 -0.6999 PRESSURE: 1121800 -165.653 13.4368 86.8571 13.4371 -71.1423 149.522 86.8565 149.521 -231.399 GPRESSURE: 1121800 -118.476 -72.1785 96.5449 41.9473 -114.327 187.448 121.594 171.337 -135.605 PRESSAVG: 1121800 -52.9209 46.8225 9.02043 46.8225 -4.16736 59.2582 9.02032 59.2581 65.4104 GPRESSAVG: 1121800 -53.6751 46.0207 8.14498 47.5396 -4.41361 63.0105 10.1756 56.8732 66.4527 TIMING: 1121800 CPU: 3329.44, 0.00298867/step Wall: 3329.44, 0.00298867/step, 3.21963 hours remaining, 206.652344 MB of memory in use. ENERGY: 1121800 784.4463 2083.9293 1921.5123 97.2966 -206072.3932 17748.4359 0.0000 0.0000 34436.8238 -148999.9490 300.7453 -183436.7728 -148904.7328 300.1544 -156.0646 -122.8028 558223.5103 2.7741 2.7880 PRESSURE: 1122000 -291.738 106.305 -25.9499 106.306 12.5709 -43.3908 -25.9496 -43.3911 78.6428 GPRESSURE: 1122000 -249.189 79.5448 15.4697 59.7228 77.9166 -89.5498 7.86681 -28.2443 60.1048 PRESSAVG: 1122000 -14.0242 60.6427 13.9175 60.6427 1.78503 20.0846 13.9175 20.0845 39.6858 GPRESSAVG: 1122000 -13.6903 61.1437 13.6971 59.9911 1.49674 18.4069 13.0854 21.348 39.9318 TIMING: 1122000 CPU: 3330.04, 0.00295498/step Wall: 3330.04, 0.00295498/step, 3.18317 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: 1122000 757.2322 2088.7503 1955.5152 128.5820 -205708.8917 17522.4824 0.0000 0.0000 34376.6711 -148879.6585 300.2200 -183256.3296 -148780.2650 299.9875 -66.8414 -37.0558 557941.1054 9.1489 9.2461 PRESSURE: 1122200 98.0305 -112.46 -50.3753 -112.46 25.9527 -157.623 -50.3757 -157.623 350.157 GPRESSURE: 1122200 172.12 -163.796 -128.899 -81.2539 30.3093 -69.5423 30.3297 -120.782 358.911 PRESSAVG: 1122200 40.9128 16.0562 40.4251 16.0562 -76.9183 10.2194 40.425 10.2193 52.3205 GPRESSAVG: 1122200 39.7507 17.0869 40.6816 16.294 -76.2443 10.2113 39.4166 10.1989 52.6402 TIMING: 1122200 CPU: 3330.62, 0.00294792/step Wall: 3330.62, 0.00294792/step, 3.1754 hours remaining, 206.652344 MB of memory in use. ENERGY: 1122200 723.9210 2133.5474 1927.0430 110.4290 -205893.7052 17972.3885 0.0000 0.0000 34120.7291 -148905.6471 297.9848 -183026.3762 -148813.0165 300.5271 158.0466 187.1136 557612.1262 5.4383 5.3822 PRESSURE: 1122400 -60.0276 35.7004 -88.9236 35.7 -136.247 -39.3537 -88.9239 -39.3543 82.6372 GPRESSURE: 1122400 -9.63271 1.48942 -100.222 100.638 -80.7541 -50.7663 -166.798 -68.1734 95.178 PRESSAVG: 1122400 -73.4418 -18.1977 14.3838 -18.1977 -45.5238 -23.3111 14.3837 -23.3112 67.3485 GPRESSAVG: 1122400 -72.4954 -19.3367 12.0527 -17.3944 -46.0165 -22.6549 16.1579 -23.9568 67.0464 TIMING: 1122400 CPU: 3331.22, 0.00295766/step Wall: 3331.22, 0.00295766/step, 3.18573 hours remaining, 206.652344 MB of memory in use. ENERGY: 1122400 754.7660 2084.7387 1957.6595 119.5137 -206072.9662 17843.7266 0.0000 0.0000 34467.9894 -148844.5724 301.0175 -183312.5617 -148746.6963 299.9129 -37.8791 1.5970 557906.4598 -17.2057 -17.1552 PRESSURE: 1122600 109.34 21.1523 18.0143 21.1509 -159.31 53.3687 18.0135 53.3689 69.1189 GPRESSURE: 1122600 180.231 10.5161 9.9375 -16.8778 -159.594 3.0852 96.5299 45.3877 96.8482 PRESSAVG: 1122600 -35.7404 -17.9762 -0.0733089 -17.9762 -66.9464 -26.7655 -0.0732805 -26.7654 84.4001 GPRESSAVG: 1122600 -35.545 -17.3046 0.565453 -19.4604 -67.0306 -28.0873 0.56109 -27.1883 84.2775 TIMING: 1122600 CPU: 3331.81, 0.00297002/step Wall: 3331.81, 0.00297002/step, 3.19887 hours remaining, 206.652344 MB of memory in use. ENERGY: 1122600 773.1047 2065.2395 1942.8180 112.7907 -206031.9125 17874.9309 0.0000 0.0000 34304.0093 -148959.0195 299.5854 -183263.0287 -148868.6065 300.3172 6.3829 39.1615 557617.8995 -6.0956 -6.0994 PRESSURE: 1122800 7.20992 50.7789 -77.4921 50.7793 -113.572 101.778 -77.4914 101.777 107.451 GPRESSURE: 1122800 105.023 -16.0738 -129.852 4.64718 -79.0998 69.8922 -70.0281 111.065 71.4317 PRESSAVG: 1122800 -4.71493 -53.1932 47.2416 -53.1933 23.6098 41.3379 47.2416 41.338 -7.29616 GPRESSAVG: 1122800 -4.56077 -55.2589 47.7506 -52.4617 23.2111 41.889 45.6984 41.5854 -7.02719 TIMING: 1122800 CPU: 3332.4, 0.00296786/step Wall: 3332.4, 0.00296786/step, 3.19639 hours remaining, 206.652344 MB of memory in use. ENERGY: 1122800 723.8289 2028.4437 1943.6872 107.1132 -205512.8267 17645.4678 0.0000 0.0000 34166.0124 -148898.2736 298.3803 -183064.2860 -148804.4386 299.8432 0.3632 32.4516 557932.4944 3.8662 3.8744 PRESSURE: 1123000 81.1993 54.6702 -219.615 54.6702 114.933 -153.285 -219.616 -153.286 -132.004 GPRESSURE: 1123000 82.649 69.7211 -152.001 -76.0169 146.895 -66.34 -133.269 -138.362 -70.462 PRESSAVG: 1123000 46.0051 0.93099 -9.27166 0.93097 -78.4215 51.6169 -9.2716 51.6169 13.7648 GPRESSAVG: 1123000 46.9811 2.44244 -9.01009 -0.243992 -78.9615 52.8409 -8.83427 51.9415 13.0432 TIMING: 1123000 CPU: 3333, 0.0029662/step Wall: 3333, 0.0029662/step, 3.19443 hours remaining, 206.652344 MB of memory in use. ENERGY: 1123000 742.9019 2085.3597 1957.7740 98.0000 -205744.8119 17722.5395 0.0000 0.0000 34244.0129 -148894.2239 299.0615 -183138.2368 -148793.3284 300.4973 21.3761 53.0272 556898.0118 -6.2172 -6.3124 PRESSURE: 1123200 35.3962 20.4714 -52.1474 20.4717 223.69 -199.426 -52.1476 -199.427 120.56 GPRESSURE: 1123200 84.4567 -84.5025 -70.4061 58.414 223.314 -242.946 -45.7448 -132.555 175.978 PRESSAVG: 1123200 -13.3621 -17.8359 -59.8958 -17.836 -18.6719 9.29118 -59.8958 9.29117 82.8927 GPRESSAVG: 1123200 -14.3988 -18.1935 -60.1071 -16.3088 -17.6289 8.78248 -60.8827 8.85993 83.4614 TIMING: 1123200 CPU: 3333.6, 0.00299223/step Wall: 3333.6, 0.00299223/step, 3.22229 hours remaining, 206.652344 MB of memory in use. ENERGY: 1123200 747.1770 2054.3526 1933.4926 111.9615 -206324.0850 17959.0822 0.0000 0.0000 34558.7700 -148959.2492 301.8103 -183518.0191 -148870.7778 300.7297 126.5487 161.2496 556000.1941 16.9529 17.1446 PRESSURE: 1123400 -135.21 -39.1766 47.3952 -39.1755 -415.289 -104.637 47.3946 -104.636 -113.573 GPRESSURE: 1123400 -105.496 -64.1059 30.8673 -64.3936 -391.296 -78.5631 80.515 -36.2698 -77.945 PRESSAVG: 1123400 -44.9877 27.0799 24.2629 27.0798 24.8885 19.2048 24.2628 19.2047 60.0291 GPRESSAVG: 1123400 -45.045 26.7154 25.5453 25.6467 24.9218 19.3641 25.1258 19.6964 59.9365 TIMING: 1123400 CPU: 3334.19, 0.00298729/step Wall: 3334.19, 0.00298729/step, 3.21681 hours remaining, 206.652344 MB of memory in use. ENERGY: 1123400 700.4021 2073.8354 1947.7280 112.6128 -205901.8798 17481.5649 0.0000 0.0000 34492.4531 -149093.2835 301.2312 -183585.7366 -149002.3622 300.0757 -221.3571 -191.5790 558158.5075 13.3100 13.2711 PRESSURE: 1123600 -214.484 38.4557 128.841 38.4562 -265.525 249.136 128.841 249.135 -188.306 GPRESSURE: 1123600 -161.904 124.265 44.8084 -35.4337 -238.105 351.481 164.32 255.856 -172.429 PRESSAVG: 1123600 18.6091 15.9991 -20.3531 15.9991 -10.1146 46.9366 -20.3531 46.9365 19.3762 GPRESSAVG: 1123600 19.7845 15.5498 -18.3975 17.405 -10.6604 44.7744 -21.6955 46.7112 18.6564 TIMING: 1123600 CPU: 3334.79, 0.00297056/step Wall: 3334.79, 0.00297056/step, 3.19864 hours remaining, 206.652344 MB of memory in use. ENERGY: 1123600 729.3283 2057.4073 1929.1066 101.0776 -205789.0789 17557.3406 0.0000 0.0000 34149.9157 -149264.9028 298.2397 -183414.8185 -149168.3985 299.0565 -222.7718 -190.8126 558936.8275 9.2903 9.2601 PRESSURE: 1123800 -291.768 -107.749 198.707 -107.75 -167.921 3.17039 198.707 3.17173 -86.4465 GPRESSURE: 1123800 -280.374 -49.3714 162.455 -165.619 -115.948 -46.2162 254.577 -86.3238 -59.1272 PRESSAVG: 1123800 -8.34081 -3.29358 -10.3537 -3.29348 8.34214 68.3312 -10.3537 68.3312 -62.641 GPRESSAVG: 1123800 -8.22892 -4.37274 -11.9326 -4.41605 8.25607 69.7931 -9.04635 67.2924 -62.4301 TIMING: 1123800 CPU: 3335.38, 0.00298333/step Wall: 3335.38, 0.00298333/step, 3.21222 hours remaining, 206.652344 MB of memory in use. ENERGY: 1123800 756.4184 2023.9335 1944.3670 108.1923 -206121.6917 17500.1936 0.0000 0.0000 34479.3341 -149309.2528 301.1166 -183788.5870 -149213.9726 298.7683 -182.0453 -151.8163 557385.8646 -20.8799 -20.8010 PRESSURE: 1124000 234.289 177.889 66.6786 177.889 -250.912 87.6209 66.6786 87.6213 -78.1779 GPRESSURE: 1124000 240.536 221.937 77.7342 135.29 -196.664 56.3224 75.5573 119.838 -34.9261 PRESSAVG: 1124000 43.1485 -11.3711 22.3669 -11.3711 -29.8062 12.4121 22.3669 12.412 -27.1375 GPRESSAVG: 1124000 42.6923 -8.73939 22.7972 -11.6179 -30.0487 12.3811 22.0092 12.2282 -26.27 TIMING: 1124000 CPU: 3335.97, 0.00294471/step Wall: 3335.97, 0.00294471/step, 3.17047 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: 1124000 735.6042 2067.9250 1940.0835 112.2566 -205834.7459 17607.7171 0.0000 0.0000 34267.8833 -149103.2762 299.2699 -183371.1595 -149004.3064 298.8593 -31.6003 2.9819 558039.3080 -4.5984 -4.5422 PRESSURE: 1124200 -150.649 62.298 57.4187 62.2988 -196.64 66.7312 57.4186 66.7326 -74.9521 GPRESSURE: 1124200 -120.275 66.3588 93.706 61.7157 -172.05 115.444 118.881 70.0057 -43.6779 PRESSAVG: 1124200 34.2728 -27.1539 49.3028 -27.1539 -73.0578 18.6242 49.3027 18.6241 17.2951 GPRESSAVG: 1124200 33.2082 -26.6158 52.1594 -26.6213 -72.3083 19.233 48.6896 19.3814 16.9667 TIMING: 1124200 CPU: 3336.56, 0.00294918/step Wall: 3336.56, 0.00294918/step, 3.17512 hours remaining, 206.652344 MB of memory in use. ENERGY: 1124200 754.3278 2059.4464 1956.0035 114.8543 -205512.6444 17386.0152 0.0000 0.0000 34220.8626 -149021.1346 298.8593 -183241.9972 -148923.8036 299.3224 -140.7468 -112.0008 559227.4710 -7.1633 -7.3778 LDB: ============= START OF LOAD BALANCING ============== 3339.99 LDB: ============== END OF LOAD BALANCING =============== 3339.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3339.99 LDB: ============= START OF LOAD BALANCING ============== 3340.29 LDB: Largest compute 4847 load 0.027522 is 23.3% of average load 0.117944 LDB: Average compute 0.001713 is 1.5% of average load 0.117944 LDB: TIME 3340.29 LOAD: AVG 0.117944 MAX 0.196107 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 3340.29 LOAD: AVG 0.117944 MAX 0.196107 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: TIME 3340.29 LOAD: AVG 0.117944 MAX 0.196107 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 206.734 MB LDB: ============== END OF LOAD BALANCING =============== 3340.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3340.3 PRESSURE: 1124400 -172.502 130.467 78.4587 130.466 -174.965 35.4596 78.4584 35.4596 -324.388 GPRESSURE: 1124400 -173.981 73.2693 68.4111 127.761 -160.232 46.4251 127.672 36.294 -245.911 PRESSAVG: 1124400 17.9164 -14.1676 25.2393 -14.1676 -3.36668 -0.687546 25.2393 -0.6877 -32.782 GPRESSAVG: 1124400 18.0206 -13.7946 23.5464 -14.9954 -4.72967 -0.870243 27.1111 0.477339 -32.0451 TIMING: 1124400 CPU: 3337.17, 0.00304318/step Wall: 3337.17, 0.00304318/step, 3.27615 hours remaining, 205.222656 MB of memory in use. ENERGY: 1124400 712.6426 2094.7020 1925.3180 103.9730 -205477.1210 17482.2518 0.0000 0.0000 34094.3404 -149063.8932 297.7544 -183158.2336 -148968.1987 299.2806 -223.9519 -193.3744 560303.8522 -6.0775 -6.2514 PRESSURE: 1124600 -359.517 92.0785 23.5286 92.0789 -102.565 56.3698 23.5286 56.3704 -276.871 GPRESSURE: 1124600 -328.366 178.757 -4.56089 86.73 -75.0438 29.9121 -33.7911 -53.2879 -232.79 PRESSAVG: 1124600 -33.1878 -40.6404 31.7391 -40.6403 44.1156 -5.21528 31.7391 -5.21539 13.5969 GPRESSAVG: 1124600 -33.0849 -39.7335 31.205 -38.0486 44.7042 -2.97508 29.0695 -5.68035 13.3369 TIMING: 1124600 CPU: 3337.76, 0.00296335/step Wall: 3337.76, 0.00296335/step, 3.19004 hours remaining, 205.421875 MB of memory in use. ENERGY: 1124600 785.9113 2073.7640 1957.0973 104.5053 -205929.4002 17680.6153 0.0000 0.0000 34373.4115 -148954.0956 300.1916 -183327.5071 -148852.9080 299.3192 -246.3179 -212.0666 559713.8623 8.1749 8.3187 PRESSURE: 1124800 194.113 -99.8064 -6.85732 -99.8053 -214.504 -127.459 -6.85682 -127.459 -186.675 GPRESSURE: 1124800 228.247 -65.2302 90.9001 -192.043 -176.871 -120.949 7.6248 -112.639 -165.925 PRESSAVG: 1124800 -35.8513 15.3332 32.8754 15.3332 -18.9115 11.119 32.8753 11.1191 19.724 GPRESSAVG: 1124800 -35.7163 15.5795 31.4651 12.7057 -18.6779 9.26363 35.3152 10.6441 19.3987 TIMING: 1124800 CPU: 3338.36, 0.00299485/step Wall: 3338.36, 0.00299485/step, 3.22379 hours remaining, 205.421875 MB of memory in use. ENERGY: 1124800 765.6086 2178.2597 1933.2722 114.5627 -206058.0058 17760.9225 0.0000 0.0000 34162.1402 -149143.2399 298.3465 -183305.3801 -149055.9796 300.1336 -69.0218 -38.1829 558175.5179 -11.6796 -11.6652 PRESSURE: 1125000 82.2856 85.0429 -88.3941 85.042 275.057 -235.253 -88.3933 -235.254 -35.7256 GPRESSURE: 1125000 172.094 32.1683 -89.5045 113.282 334.982 -189.691 -39.4883 -205.33 -73.9213 PRESSAVG: 1125000 72.2387 18.4767 34.917 18.4767 -56.8682 -43.5915 34.9169 -43.5914 -48.7657 GPRESSAVG: 1125000 72.4976 18.11 36.3831 18.3147 -57.29 -44.5205 32.8358 -43.1156 -48.331 TIMING: 1125000 CPU: 3338.96, 0.00299595/step Wall: 3338.96, 0.00299595/step, 3.22481 hours remaining, 205.421875 MB of memory in use. ENERGY: 1125000 733.9241 2146.0892 1912.9595 112.9636 -205942.8804 17910.8751 0.0000 0.0000 34200.1221 -148925.9469 298.6782 -183126.0689 -148835.5391 299.1082 107.2055 144.3851 557617.2301 -11.1317 -11.0411 PRESSURE: 1125200 -199.196 -28.6183 -169.871 -28.6175 -47.6634 -19.3429 -169.871 -19.3434 -3.85694 GPRESSURE: 1125200 -145.001 -46.6974 -221.474 -91.7462 -26.8991 -40.3896 -109.683 -56.1415 14.7601 PRESSAVG: 1125200 43.5994 -6.70839 28.0125 -6.70838 16.484 3.16633 28.0125 3.16633 -68.9267 GPRESSAVG: 1125200 43.4614 -6.48942 26.003 -4.94946 17.5069 5.07643 29.8718 3.93631 -69.8927 TIMING: 1125200 CPU: 3339.56, 0.00298592/step Wall: 3339.56, 0.00298592/step, 3.21384 hours remaining, 205.421875 MB of memory in use. ENERGY: 1125200 756.9431 2046.3826 1915.1420 109.2003 -205760.0463 17758.6003 0.0000 0.0000 34262.1416 -148911.6363 299.2198 -183173.7779 -148813.2419 300.1970 -83.5721 -52.3799 558911.3876 -2.9478 -2.9748 PRESSURE: 1125400 -206.6 -26.3984 84.298 -26.3987 35.7171 -28.2348 84.2972 -28.2353 41.3591 GPRESSURE: 1125400 -158.951 -8.61143 96.5865 -23.0459 79.1572 18.2905 90.1899 -49.3321 31.894 PRESSAVG: 1125400 -39.2255 25.8093 -26.8302 25.8093 53.3642 -3.09568 -26.8302 -3.09566 -20.1979 GPRESSAVG: 1125400 -39.1137 24.0636 -25.5989 24.0611 52.4247 -2.19904 -27.8343 -3.45152 -19.8779 TIMING: 1125400 CPU: 3340.16, 0.00299411/step Wall: 3340.16, 0.00299411/step, 3.22249 hours remaining, 205.421875 MB of memory in use. ENERGY: 1125400 740.6064 2057.3505 1923.2499 113.4794 -206204.3917 17881.8036 0.0000 0.0000 34264.0003 -149223.9017 299.2360 -183487.9019 -149129.4669 299.7194 -43.1746 -15.9665 557865.5913 -2.0198 -2.1890 PRESSURE: 1125600 -165.342 -157.386 -50.3919 -157.386 -306.818 36.4047 -50.3896 36.4048 -106.937 GPRESSURE: 1125600 -111.165 -99.4936 5.30364 -118.009 -247.517 21.753 -73.2717 28.9897 -128.575 PRESSAVG: 1125600 22.3196 -31.7112 44.9745 -31.7112 8.50243 21.2901 44.9744 21.29 -23.6493 GPRESSAVG: 1125600 21.9497 -30.1926 44.8121 -32.1388 9.06175 20.0627 45.3286 23.6179 -23.5236 TIMING: 1125600 CPU: 3340.75, 0.00296007/step Wall: 3340.75, 0.00296007/step, 3.1857 hours remaining, 205.421875 MB of memory in use. ENERGY: 1125600 706.6921 2066.9715 1955.6679 104.9426 -205994.5586 17552.9483 0.0000 0.0000 34146.7622 -149460.5740 298.2122 -183607.3362 -149363.8543 298.0338 -193.0323 -162.4191 558144.8464 2.3909 2.4960 PRESSURE: 1125800 341.498 -15.5087 -63.2083 -15.5095 84.1189 64.537 -63.2063 64.5371 160.828 GPRESSURE: 1125800 332.71 -115.341 -36.9255 54.6957 126.92 -6.18056 -70.4847 28.4987 230.151 PRESSAVG: 1125800 -4.94508 -24.4198 -10.7216 -24.4198 -7.34646 12.3374 -10.7216 12.3375 -9.20125 GPRESSAVG: 1125800 -2.70351 -23.5598 -9.93162 -24.5329 -9.62754 12.982 -12.9793 10.6052 -8.70244 TIMING: 1125800 CPU: 3341.34, 0.00294803/step Wall: 3341.34, 0.00294803/step, 3.17257 hours remaining, 205.421875 MB of memory in use. ENERGY: 1125800 693.5294 2073.5107 1930.1630 117.0673 -206378.4939 17990.7510 0.0000 0.0000 34111.2557 -149462.2169 297.9021 -183573.4726 -149361.2269 298.0479 195.4815 229.9270 556252.5332 -7.1643 -7.0112 PRESSURE: 1126000 -237.78 -201.677 -46.9798 -201.677 -46.0737 71.3326 -46.9803 71.3335 -148.684 GPRESSURE: 1126000 -225.752 -155.816 -11.8661 -141.86 -27.9825 167.347 -36.0592 38.4133 -84.6164 PRESSAVG: 1126000 43.9217 -33.4755 -2.34295 -33.4754 28.5259 -5.69472 -2.34284 -5.69466 -37.463 GPRESSAVG: 1126000 41.4109 -34.1532 -3.84071 -33.2862 30.1347 -8.58099 -1.98356 -5.22971 -36.7689 TIMING: 1126000 CPU: 3341.94, 0.00299258/step Wall: 3341.94, 0.00299258/step, 3.22035 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: 1126000 747.6023 2109.9264 1934.8950 107.2821 -205853.5842 17563.7327 0.0000 0.0000 34144.4364 -149245.7092 298.1919 -183390.1457 -149145.4018 298.1270 -144.1794 -112.7838 556618.1893 11.6615 11.5923 PRESSURE: 1126200 0.11648 112.715 -84.8334 112.715 16.9566 96.4961 -84.8329 96.4951 216.165 GPRESSURE: 1126200 43.2257 127.237 -20.316 63.6605 63.9294 73.4525 -57.1804 140.754 240.959 PRESSAVG: 1126200 29.0144 -0.0613484 -46.5094 -0.0613704 3.82083 -49.2627 -46.5096 -49.2628 9.74539 GPRESSAVG: 1126200 29.5452 -2.41379 -47.2426 2.12107 4.13583 -47.6992 -45.2359 -50.9766 9.081 TIMING: 1126200 CPU: 3342.54, 0.00298869/step Wall: 3342.54, 0.00298869/step, 3.216 hours remaining, 205.421875 MB of memory in use. ENERGY: 1126200 731.2643 2090.9937 1910.4471 100.3748 -206126.6507 17935.4788 0.0000 0.0000 34123.1689 -149234.9232 298.0061 -183358.0921 -149140.6020 298.6447 77.7460 116.0381 557722.8236 14.1935 14.2540 PRESSURE: 1126400 388.232 156.21 -9.12943 156.21 208.889 -32.095 -9.13037 -32.0976 200.546 GPRESSURE: 1126400 453.379 215.954 38.0902 118.682 275.054 -146.978 -12.2553 -29.7825 181.611 PRESSAVG: 1126400 -62.1006 30.8979 -56.3026 30.898 67.0947 27.2421 -56.3026 27.2421 -22.088 GPRESSAVG: 1126400 -61.7199 30.9808 -54.5522 30.5626 67.4265 28.196 -56.4338 27.849 -22.5643 TIMING: 1126400 CPU: 3343.12, 0.00294172/step Wall: 3343.12, 0.00294172/step, 3.16529 hours remaining, 205.421875 MB of memory in use. ENERGY: 1126400 699.4150 2044.9525 1939.6191 107.8121 -206529.0621 18217.4827 0.0000 0.0000 34272.2741 -149247.5065 299.3083 -183519.7806 -149150.2814 299.0087 265.8891 303.3483 556937.5084 -5.6980 -5.6192 PRESSURE: 1126600 43.9877 90.3583 -183.183 90.3598 377.647 5.78155 -183.182 5.78181 -383.431 GPRESSURE: 1126600 86.7042 93.0335 -140.851 49.7889 356.606 54.1183 -152.74 3.14381 -312.258 PRESSAVG: 1126600 -56.1068 71.6893 -4.21381 71.6893 41.5078 -1.03512 -4.2137 -1.03518 18.616 GPRESSAVG: 1126600 -56.5816 71.6605 -2.64982 72.5029 41.8799 -2.19215 -5.42083 1.08468 18.8544 TIMING: 1126600 CPU: 3343.72, 0.00296929/step Wall: 3343.72, 0.00296929/step, 3.19479 hours remaining, 205.421875 MB of memory in use. ENERGY: 1126600 761.8208 2139.2096 1941.3143 112.7578 -206267.1118 17888.9477 0.0000 0.0000 34226.5280 -149196.5335 298.9088 -183423.0615 -149103.4036 298.3798 12.7345 43.6838 558063.4441 1.3390 1.3842 PRESSURE: 1126800 -77.1322 51.7278 -4.26031 51.7285 -196.759 -140.487 -4.26083 -140.487 -243.003 GPRESSURE: 1126800 -29.6058 29.3746 1.44285 132.613 -152.848 -151.246 -7.11355 -72.0036 -251.341 PRESSAVG: 1126800 -20.6693 35.1788 -12.8269 35.1788 6.59589 28.161 -12.827 28.1611 -75.3542 GPRESSAVG: 1126800 -20.1668 39.2975 -16.9845 34.4647 5.66588 28.6861 -10.3764 25.9133 -75.0817 TIMING: 1126800 CPU: 3344.32, 0.00298885/step Wall: 3344.32, 0.00298885/step, 3.21567 hours remaining, 205.421875 MB of memory in use. ENERGY: 1126800 728.1701 2014.1701 1933.6226 110.2301 -205443.4907 17329.0151 0.0000 0.0000 34328.9960 -148999.2868 299.8037 -183328.2828 -148897.3144 298.9198 -172.2981 -144.5981 558290.7182 -29.8092 -29.8609 PRESSURE: 1127000 59.7911 79.5469 56.5236 79.5474 -170.937 29.9355 56.5227 29.9365 -6.63926 GPRESSURE: 1127000 80.1826 185.087 141.12 36.4728 -115.004 -62.8598 -8.18089 8.04166 23.263 PRESSAVG: 1127000 1.78095 16.6255 7.18733 16.6255 20.0712 -46.0164 7.1873 -46.0164 -8.62837 GPRESSAVG: 1127000 1.70947 16.2301 8.71864 16.723 20.097 -47.6149 6.50702 -43.2598 -8.11755 TIMING: 1127000 CPU: 3344.91, 0.00298824/step Wall: 3344.91, 0.00298824/step, 3.21485 hours remaining, 205.421875 MB of memory in use. ENERGY: 1127000 736.7516 2097.6185 1964.9831 116.4977 -206163.6075 17769.1690 0.0000 0.0000 34532.5249 -148946.0627 301.5811 -183478.5876 -148844.9103 300.0964 -39.2618 -3.8529 557940.1070 4.4079 4.5630 PRESSURE: 1127200 17.8695 98.5875 -76.7479 98.5875 98.7033 -39.9159 -76.7487 -39.9165 -254.987 GPRESSURE: 1127200 50.4037 139.716 -84.5314 48.2133 157.747 -66.3535 1.64239 -21.388 -253.429 PRESSAVG: 1127200 15.1058 -25.3008 22.1277 -25.3008 12.6906 24.4135 22.1276 24.4136 -39.647 GPRESSAVG: 1127200 14.6731 -27.5398 21.284 -23.4621 13.714 26.5209 21.6643 22.5867 -39.5473 TIMING: 1127200 CPU: 3345.51, 0.00298326/step Wall: 3345.51, 0.00298326/step, 3.20933 hours remaining, 205.421875 MB of memory in use. ENERGY: 1127200 735.1726 2031.7133 1943.6000 117.2267 -206058.0721 17887.1797 0.0000 0.0000 34256.2222 -149086.9577 299.1681 -183343.1799 -148985.5455 299.6617 -46.1381 -15.0929 557760.2219 -3.9502 -3.7201 PRESSURE: 1127400 101.621 32.4092 -10.7861 32.4088 98.7409 -70.5807 -10.7864 -70.5824 151.195 GPRESSURE: 1127400 128.948 -25.0568 -80.8511 37.1028 144.885 -137.357 83.7492 -64.4848 173.961 PRESSAVG: 1127400 33.0775 -20.6821 -21.8135 -20.6821 25.9656 -19.9452 -21.8135 -19.9452 -74.6293 GPRESSAVG: 1127400 34.6602 -19.7292 -21.1579 -21.656 24.4063 -19.5279 -21.9127 -20.975 -74.5585 TIMING: 1127400 CPU: 3346.11, 0.00298207/step Wall: 3346.11, 0.00298207/step, 3.20788 hours remaining, 205.421875 MB of memory in use. ENERGY: 1127400 754.2293 2056.8083 1949.5739 115.5459 -206349.7470 18098.7141 0.0000 0.0000 34229.2537 -149145.6219 298.9326 -183374.8756 -149060.1680 299.2471 117.1857 149.2650 556245.6675 -5.1954 -5.1640 PRESSURE: 1127600 138.004 -51.5643 -74.5602 -51.5636 313.775 -139.327 -74.5602 -139.328 -4.04312 GPRESSURE: 1127600 186.611 -16.952 -57.9777 22.7064 334.467 -102.677 -57.8022 -162.518 26.4484 PRESSAVG: 1127600 -28.7891 -57.9795 1.91769 -57.9795 13.2892 -41.0162 1.91767 -41.0163 -35.2377 GPRESSAVG: 1127600 -28.6634 -56.7463 3.209 -57.8842 14.1266 -42.1005 0.209405 -41.0882 -35.3465 TIMING: 1127600 CPU: 3346.7, 0.00297936/step Wall: 3346.7, 0.00297936/step, 3.2048 hours remaining, 205.421875 MB of memory in use. ENERGY: 1127600 719.2263 2062.2779 1936.8275 120.4395 -205911.7174 17741.4901 0.0000 0.0000 34318.6850 -149012.7710 299.7136 -183331.4560 -148915.8281 298.9280 149.2452 182.5088 556393.5556 -16.9125 -16.6278 PRESSURE: 1127800 -115.281 82.9741 -51.9809 82.9752 -40.4286 82.1693 -51.981 82.17 -399.622 GPRESSURE: 1127800 -95.1215 154.232 -122.397 -14.6371 -17.2871 70.2538 -84.0925 62.3548 -353.363 PRESSAVG: 1127800 -37.9746 3.25095 -47.9079 3.25105 40.1018 3.36455 -47.9078 3.36456 -7.99104 GPRESSAVG: 1127800 -38.5972 1.65604 -49.7969 2.14692 40.2601 4.20996 -45.9926 3.89636 -7.75145 TIMING: 1127800 CPU: 3347.3, 0.00299494/step Wall: 3347.3, 0.00299494/step, 3.22139 hours remaining, 205.421875 MB of memory in use. ENERGY: 1127800 754.2242 2111.6871 1938.7445 110.6115 -205525.9616 17398.9207 0.0000 0.0000 34122.2712 -149089.5024 297.9983 -183211.7736 -148991.2876 299.1365 -185.1106 -155.2572 557847.7178 -1.9546 -2.0295 PRESSURE: 1128000 -52.6592 324.202 43.4704 324.202 -400.64 7.2347 43.4704 7.23357 -22.5983 GPRESSURE: 1128000 -25.8261 296.581 176.919 315.294 -373.607 -4.63402 -73.3229 39.4869 26.7074 PRESSAVG: 1128000 -21.7899 -26.5531 -3.71495 -26.553 0.187307 18.0455 -3.71494 18.0455 18.6953 GPRESSAVG: 1128000 -22.39 -25.4374 -3.07934 -27.082 1.47976 15.7276 -4.69149 19.5621 18.4661 TIMING: 1128000 CPU: 3347.91, 0.00302579/step Wall: 3347.91, 0.00302579/step, 3.2544 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: 1128000 764.0099 2094.3349 1920.6370 108.7153 -205811.3777 17529.9906 0.0000 0.0000 34447.5369 -148946.1532 300.8389 -183393.6901 -148846.5360 299.9395 -158.6324 -124.2418 557867.9463 -0.9691 -0.8147 PRESSURE: 1128200 -201.049 -64.4795 67.922 -64.4788 -326.628 69.614 67.922 69.6131 -164.514 GPRESSURE: 1128200 -210.752 -45.1009 72.6343 -23.9672 -279.285 94.0688 54.7663 87.4202 -105.317 PRESSAVG: 1128200 37.2174 18.6367 10.6275 18.6367 24.2587 6.27886 10.6274 6.2788 -11.7425 GPRESSAVG: 1128200 38.217 18.4395 10.964 18.292 23.6757 7.00331 10.1332 6.54192 -11.6917 TIMING: 1128200 CPU: 3348.51, 0.003016/step Wall: 3348.51, 0.003016/step, 3.24371 hours remaining, 205.421875 MB of memory in use. ENERGY: 1128200 768.4359 2063.3171 1942.8791 116.2159 -205442.7943 17455.9340 0.0000 0.0000 34307.7229 -148788.2894 299.6179 -183096.0123 -148694.1877 299.5985 -230.7303 -198.4514 558217.9238 16.5779 16.7337 LDB: ============= START OF LOAD BALANCING ============== 3351.94 LDB: ============== END OF LOAD BALANCING =============== 3351.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3351.95 LDB: ============= START OF LOAD BALANCING ============== 3352.25 LDB: Largest compute 4847 load 0.028674 is 24.3% of average load 0.117923 LDB: Average compute 0.001723 is 1.5% of average load 0.117923 LDB: TIME 3352.25 LOAD: AVG 0.117923 MAX 0.198815 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 3352.25 LOAD: AVG 0.117923 MAX 0.198815 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: TIME 3352.25 LOAD: AVG 0.117923 MAX 0.198815 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 207.418 MB LDB: ============== END OF LOAD BALANCING =============== 3352.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3352.26 PRESSURE: 1128400 102.538 101.177 -25.854 101.176 344.173 -59.1076 -25.854 -59.1058 174.844 GPRESSURE: 1128400 188.647 145.999 101.619 108.967 412.917 -9.53637 -57.052 18.7646 127.408 PRESSAVG: 1128400 -24.2097 57.8931 -14.8583 57.893 21.8492 36.7743 -14.8584 36.7743 -25.4053 GPRESSAVG: 1128400 -23.0978 56.7953 -15.9789 59.3932 21.6946 37.1138 -12.5046 36.3414 -25.7754 TIMING: 1128400 CPU: 3349.13, 0.00309487/step Wall: 3349.13, 0.00309486/step, 3.32836 hours remaining, 205.664062 MB of memory in use. ENERGY: 1128400 760.1714 2049.2937 1949.6411 113.0432 -205839.9445 17969.6016 0.0000 0.0000 34521.5277 -148476.6658 301.4851 -182998.1935 -148378.6300 300.7276 207.1849 242.9908 558009.0321 -9.2553 -9.0595 PRESSURE: 1128600 -102.081 -53.9756 -41.8912 -53.9763 -306.559 50.4059 -41.8916 50.4051 -212.391 GPRESSURE: 1128600 -59.8713 2.97966 32.914 -105.996 -303.998 8.07277 -131.489 31.57 -167.329 PRESSAVG: 1128600 -16.5531 18.9574 -6.87277 18.9574 3.74911 -14.0592 -6.87269 -14.0592 -12.1217 GPRESSAVG: 1128600 -17.4062 18.2887 -4.56169 17.6938 3.84755 -13.7989 -9.52544 -13.8253 -11.6082 TIMING: 1128600 CPU: 3349.73, 0.00299432/step Wall: 3349.73, 0.00299432/step, 3.22006 hours remaining, 205.664062 MB of memory in use. ENERGY: 1128600 775.5314 2091.5186 1949.3417 112.3690 -205502.4812 17390.4168 0.0000 0.0000 34628.9527 -148554.3510 302.4233 -183183.3038 -148459.2879 301.2413 -207.0104 -177.0659 557792.9460 -8.3086 -8.3889 PRESSURE: 1128800 -2.94314 21.5762 -73.0826 21.5764 261.635 55.3759 -73.0835 55.3751 79.516 GPRESSURE: 1128800 43.2622 5.30807 -73.1881 56.336 316.986 63.1895 -121.887 23.9665 82.7964 PRESSAVG: 1128800 79.9518 -14.2232 -38.1055 -14.2232 -44.6064 -10.0662 -38.1056 -10.0662 -36.2676 GPRESSAVG: 1128800 80.5961 -12.9845 -39.5444 -12.7004 -44.2827 -9.57398 -35.7431 -10.5543 -37.1884 TIMING: 1128800 CPU: 3350.32, 0.0029671/step Wall: 3350.32, 0.0029671/step, 3.19062 hours remaining, 205.664062 MB of memory in use. ENERGY: 1128800 758.4559 2094.4809 1963.7091 107.9007 -205682.4943 17738.3826 0.0000 0.0000 34293.3796 -148726.1856 299.4926 -183019.5652 -148634.7940 300.9152 112.7360 147.6815 556854.5191 -0.3074 -0.2917 PRESSURE: 1129000 27.4249 -62.827 -7.51283 -62.827 -91.257 87.8579 -7.51151 87.858 83.5038 GPRESSURE: 1129000 113.86 16.7263 -35.8236 -200.365 -52.6108 99.0761 -9.38157 143.53 57.3482 PRESSAVG: 1129000 103.26 14.0276 -13.2748 14.0276 -45.8302 43.831 -13.2748 43.8309 -49.1033 GPRESSAVG: 1129000 103.237 12.4664 -12.9769 12.9775 -45.4657 44.5753 -14.0933 44.2106 -49.3463 TIMING: 1129000 CPU: 3350.92, 0.00297121/step Wall: 3350.92, 0.00297121/step, 3.19487 hours remaining, 205.664062 MB of memory in use. ENERGY: 1129000 763.9035 2083.9174 1919.3470 122.0400 -206161.8066 17978.4833 0.0000 0.0000 34429.9527 -148864.1626 300.6853 -183294.1153 -148761.2089 299.7791 6.5573 39.5324 558745.5858 2.7756 2.8085 PRESSURE: 1129200 142.861 37.789 70.8609 37.7893 29.7108 29.6028 70.8605 29.6029 44.688 GPRESSURE: 1129200 126.176 8.11684 71.8409 63.1607 64.8237 27.4984 13.8816 13.9339 117.293 PRESSAVG: 1129200 84.8935 35.8454 -39.6178 35.8453 -20.0828 11.943 -39.6177 11.9431 -25.7357 GPRESSAVG: 1129200 84.2192 37.3349 -38.713 33.9442 -19.9013 11.679 -39.5502 12.0504 -25.2755 TIMING: 1129200 CPU: 3351.51, 0.00299644/step Wall: 3351.51, 0.00299644/step, 3.22184 hours remaining, 205.664062 MB of memory in use. ENERGY: 1129200 772.1755 2125.8987 1928.2549 106.3494 -206047.7702 17879.3046 0.0000 0.0000 34294.8204 -148940.9668 299.5052 -183235.7872 -148844.6244 300.0076 72.4200 102.7641 557362.4371 13.0250 13.0141 PRESSURE: 1129400 -81.4074 47.0515 -0.925526 47.052 244.325 36.2084 -0.925172 36.2086 172.45 GPRESSURE: 1129400 -33.9766 90.227 -10.1438 16.6046 319.566 16.5327 -51.8925 52.9278 137.25 PRESSAVG: 1129400 -28.464 39.728 -17.4541 39.7281 12.7879 6.75303 -17.454 6.75299 31.1042 GPRESSAVG: 1129400 -28.0921 38.9694 -18.9621 41.3851 13.0486 4.55915 -16.6661 8.23111 31.2192 TIMING: 1129400 CPU: 3352.11, 0.0029739/step Wall: 3352.11, 0.0029739/step, 3.19744 hours remaining, 205.664062 MB of memory in use. ENERGY: 1129400 724.3894 2149.6711 1953.4456 104.0335 -206201.4383 17796.1338 0.0000 0.0000 34416.1774 -149057.5874 300.5650 -183473.7648 -148957.9649 299.1620 111.7892 140.9466 556548.6206 5.1427 5.3919 PRESSURE: 1129600 -114.785 154.855 -20.4098 154.855 148.433 145.53 -20.4099 145.53 -22.8215 GPRESSURE: 1129600 -60.4169 242.987 -6.3702 187.595 130.867 153.983 28.2083 228.433 14.8995 PRESSAVG: 1129600 -28.1888 -1.23669 -29.0753 -1.23665 65.0911 -4.49258 -29.0753 -4.49248 -55.9143 GPRESSAVG: 1129600 -27.383 0.0872123 -28.4898 -1.60816 64.4422 -4.43376 -28.6876 -7.27673 -55.9177 TIMING: 1129600 CPU: 3352.71, 0.00301042/step Wall: 3352.71, 0.00301042/step, 3.23654 hours remaining, 205.664062 MB of memory in use. ENERGY: 1129600 735.4156 2086.6355 1950.0819 109.0183 -206004.5439 17827.6344 0.0000 0.0000 34119.3012 -149176.4569 297.9723 -183295.7581 -149072.8851 299.6006 3.6089 28.4500 558699.8521 -6.3374 -6.2862 PRESSURE: 1129800 -72.8761 -6.18946 -72.2089 -6.18822 -116.045 -33.1188 -72.2081 -33.1185 77.3979 GPRESSURE: 1129800 -78.7118 -3.09068 -40.5404 -37.502 -42.9229 -57.2579 -75.625 -81.7801 99.6636 PRESSAVG: 1129800 6.54213 -24.7685 -2.77341 -24.7685 19.4918 25.2693 -2.77341 25.2693 -31.439 GPRESSAVG: 1129800 5.97208 -27.9058 -3.22124 -22.5565 19.7418 25.6621 -2.45001 27.6656 -30.7017 TIMING: 1129800 CPU: 3353.31, 0.00297391/step Wall: 3353.31, 0.00297391/step, 3.19712 hours remaining, 205.664062 MB of memory in use. ENERGY: 1129800 756.1799 2094.7684 1942.6603 118.0147 -206278.5274 17896.0991 0.0000 0.0000 34470.6283 -149000.1767 301.0406 -183470.8050 -148895.5194 299.6007 -37.1743 -7.3237 557074.2468 -1.8017 -1.6626 PRESSURE: 1130000 -66.7297 -91.434 39.8065 -91.4322 0.299196 -131.172 39.8062 -131.171 -61.4333 GPRESSURE: 1130000 -26.0959 -40.7791 -18.3744 -134.202 8.86535 -106.824 81.1708 -49.9769 -10.4426 PRESSAVG: 1130000 8.25537 46.2792 -49.2365 46.2792 21.7794 0.43047 -49.2365 0.430553 -70.0198 GPRESSAVG: 1130000 7.91863 47.8568 -48.2494 45.7927 21.4154 1.67579 -49.5753 -1.94034 -69.3089 TIMING: 1130000 CPU: 3353.9, 0.00295237/step Wall: 3353.9, 0.00295237/step, 3.1738 hours remaining, 205.664062 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: 1130000 747.3597 2133.2479 1953.1454 113.2014 -206268.8103 17839.8288 0.0000 0.0000 34373.8796 -149108.1475 300.1956 -183482.0271 -149011.9482 299.9473 -42.6213 -9.2244 557587.0756 -13.3283 -13.3250 PRESSURE: 1130200 40.0965 -11.1966 2.36649 -11.1956 -204.245 76.9964 2.36476 76.9972 98.3134 GPRESSURE: 1130200 73.8976 63.2716 10.7699 -68.8433 -180.428 59.373 21.4244 18.7842 135.494 PRESSAVG: 1130200 41.9177 -1.93481 -46.086 -1.93485 20.0158 -32.1754 -46.086 -32.1754 -17.8328 GPRESSAVG: 1130200 41.7481 -2.13346 -43.7736 -1.60249 21.3641 -29.7845 -45.1509 -33.3936 -18.6425 TIMING: 1130200 CPU: 3354.49, 0.00294713/step Wall: 3354.49, 0.00294713/step, 3.168 hours remaining, 205.664062 MB of memory in use. ENERGY: 1130200 737.0833 2104.5655 1946.0799 109.7356 -205895.6002 17707.8432 0.0000 0.0000 34111.8017 -149178.4910 297.9068 -183290.2927 -149073.3706 299.1033 -21.9450 9.6545 556594.2016 14.7002 14.8232 PRESSURE: 1130400 -363.651 59.4715 -93.736 59.4699 4.57645 53.2835 -93.7355 53.2842 -268.903 GPRESSURE: 1130400 -299.297 82.0183 -43.2395 13.0652 -10.7188 29.3835 -191.256 49.0458 -230.619 PRESSAVG: 1130400 2.25078 32.4557 -37.0038 32.4556 -5.67203 3.05592 -37.0038 3.05588 -13.3833 GPRESSAVG: 1130400 1.85698 31.8698 -38.9229 31.0686 -6.07868 0.262798 -40.2256 3.49552 -12.7946 TIMING: 1130400 CPU: 3355.08, 0.00295074/step Wall: 3355.08, 0.00295074/step, 3.17172 hours remaining, 205.664062 MB of memory in use. ENERGY: 1130400 794.8195 2076.7912 1947.6696 119.5258 -206021.5628 17585.2541 0.0000 0.0000 34445.4448 -149052.0577 300.8206 -183497.5025 -148953.4098 298.9989 -209.3258 -180.2117 559264.6316 -5.6015 -5.6721 PRESSURE: 1130600 -72.7487 -125.593 -22.328 -125.593 -187.5 -112.591 -22.3267 -112.592 -293.862 GPRESSURE: 1130600 -52.4891 -68.2332 -8.18581 -196.119 -175.462 -90.012 -40.7823 -38.6171 -219.777 PRESSAVG: 1130600 72.1374 -36.8281 21.3609 -36.8281 3.36624 -8.62411 21.3608 -8.62411 -65.7674 GPRESSAVG: 1130600 71.3693 -35.7742 20.8827 -38.3083 3.48614 -8.57375 21.421 -7.42096 -65.0815 TIMING: 1130600 CPU: 3355.67, 0.00296807/step Wall: 3355.67, 0.00296807/step, 3.19018 hours remaining, 205.664062 MB of memory in use. ENERGY: 1130600 756.0820 2048.7661 1971.1618 108.9653 -206197.4422 17633.3652 0.0000 0.0000 34600.1290 -149078.9729 302.1715 -183679.1019 -148979.6557 300.4110 -184.7035 -149.2426 558890.1758 3.2454 3.2580 PRESSURE: 1130800 -10.8654 41.7234 -47.874 41.7234 168.285 8.07846 -47.8735 8.0806 -314.092 GPRESSURE: 1130800 1.87011 15.4589 -17.2756 89.5356 163.061 105.642 15.0079 22.3725 -227.717 PRESSAVG: 1130800 91.93 11.4218 -25.3479 11.4219 -34.9581 -49.9706 -25.3479 -49.9706 -63.1771 GPRESSAVG: 1130800 93.2972 11.7916 -24.5646 14.2269 -35.8758 -49.3852 -23.256 -49.8272 -63.9532 TIMING: 1130800 CPU: 3356.26, 0.00297114/step Wall: 3356.26, 0.00297114/step, 3.19331 hours remaining, 205.664062 MB of memory in use. ENERGY: 1130800 769.7827 2133.1527 1926.3029 115.3498 -206364.7108 17844.9708 0.0000 0.0000 34507.9166 -149067.2355 301.3662 -183575.1520 -148966.6163 299.4550 -52.2243 -20.9285 557109.0862 -2.0684 -2.1772 PRESSURE: 1131000 -111.131 0.913791 115.111 0.914384 -246.696 6.85501 115.111 6.8549 -53.9716 GPRESSURE: 1131000 -117.902 31.6711 111.035 -102.202 -207.703 -79.6016 146.827 98.0636 9.75628 PRESSAVG: 1131000 -17.1095 0.4706 8.3278 0.470656 48.9395 6.97786 8.32774 6.97798 -9.38543 GPRESSAVG: 1131000 -17.589 -1.28128 7.82272 -0.504579 49.0427 5.36607 7.16422 8.11872 -8.71303 TIMING: 1131000 CPU: 3356.86, 0.0029782/step Wall: 3356.86, 0.0029782/step, 3.20074 hours remaining, 205.664062 MB of memory in use. ENERGY: 1131000 765.4469 2156.6903 1950.8409 121.9972 -205778.4430 17507.5324 0.0000 0.0000 34277.0261 -148998.9093 299.3498 -183275.9354 -148902.6567 300.0940 -137.2661 -105.2828 558084.1102 7.4816 7.5802 PRESSURE: 1131200 -101.955 15.6598 -65.1604 15.6599 -114.822 -27.9399 -65.1611 -27.9401 -109.751 GPRESSURE: 1131200 -61.7471 -36.1269 -1.51125 -38.7716 -89.5364 3.63709 -107.176 -35.8377 -85.0726 PRESSAVG: 1131200 53.9038 23.5208 45.2565 23.5208 -104.555 17.1611 45.2566 17.1611 83.4379 GPRESSAVG: 1131200 53.5225 22.8453 43.2137 22.9884 -104.854 16.8938 47.3244 16.2417 83.4491 TIMING: 1131200 CPU: 3357.45, 0.00296499/step Wall: 3357.45, 0.00296499/step, 3.18637 hours remaining, 205.664062 MB of memory in use. ENERGY: 1131200 745.5955 2122.9931 1966.1951 111.1301 -206016.7430 17686.9907 0.0000 0.0000 34384.6636 -148999.1750 300.2898 -183383.8386 -148903.0497 299.7629 -108.8427 -78.7853 557810.1395 10.9288 10.7058 PRESSURE: 1131400 58.6121 117.431 3.66438 117.43 -3.4912 -181.818 3.6655 -181.818 10.1153 GPRESSURE: 1131400 85.5955 175.222 -54.9368 127.94 8.17202 -119.04 42.4875 -189.61 56.1198 PRESSAVG: 1131400 66.9706 65.9196 6.06871 65.9197 4.20284 -10.2814 6.06873 -10.2816 -46.957 GPRESSAVG: 1131400 67.0468 68.704 6.68421 66.8999 5.29945 -11.2426 4.98505 -8.74742 -48.0004 TIMING: 1131400 CPU: 3358.05, 0.00298747/step Wall: 3358.05, 0.00298747/step, 3.21036 hours remaining, 205.664062 MB of memory in use. ENERGY: 1131400 751.4732 2113.7695 1923.1076 126.1762 -206094.8603 17721.4357 0.0000 0.0000 34288.5741 -149170.3239 299.4506 -183458.8980 -149074.7553 299.8873 21.7454 49.9625 558350.7232 8.0722 8.1153 PRESSURE: 1131600 -158.643 -23.5942 -41.5023 -23.594 51.4584 -6.42839 -41.5019 -6.42893 62.0142 GPRESSURE: 1131600 -99.8504 42.3204 -2.27773 -43.8434 75.5479 18.2063 -45.2138 -113.602 79.4612 PRESSAVG: 1131600 -31.9161 37.0415 17.7708 37.0415 126.003 -7.18094 17.7709 -7.18096 -33.0624 GPRESSAVG: 1131600 -32.6719 35.994 21.0475 38.1665 125.999 -6.02349 15.4213 -8.67194 -32.7715 TIMING: 1131600 CPU: 3358.65, 0.00297571/step Wall: 3358.65, 0.00297571/step, 3.19756 hours remaining, 205.664062 MB of memory in use. ENERGY: 1131600 831.1666 2077.7392 1943.7038 98.0357 -206291.3188 17967.3247 0.0000 0.0000 34279.3168 -149094.0320 299.3698 -183373.3487 -148994.3773 299.1717 -15.0568 18.3863 556839.2547 20.3416 20.1853 PRESSURE: 1131800 -130.432 -51.9604 -36.3223 -51.9595 -383.915 33.9056 -36.3238 33.9054 -200.759 GPRESSURE: 1131800 -138.55 -148.069 -82.1134 2.58524 -314.108 -18.4435 -92.3489 -29.0747 -161.731 PRESSAVG: 1131800 31.1853 20.5728 17.0854 20.5728 30.0296 7.39189 17.0854 7.39184 -32.1274 GPRESSAVG: 1131800 31.4987 20.3174 15.1705 19.2055 28.1887 8.09077 17.1362 8.26254 -31.0114 TIMING: 1131800 CPU: 3359.24, 0.00297167/step Wall: 3359.24, 0.00297167/step, 3.19306 hours remaining, 205.664062 MB of memory in use. ENERGY: 1131800 778.8952 2015.0996 1955.7604 107.3163 -206060.6747 17539.5655 0.0000 0.0000 34518.2709 -149145.7667 301.4566 -183664.0376 -149047.5639 299.8268 -238.3690 -204.7966 556844.9367 9.6958 9.5587 PRESSURE: 1132000 114.687 -81.7233 106.817 -81.7231 -176.435 -76.9149 106.816 -76.9154 -44.2116 GPRESSURE: 1132000 148.856 -68.771 98.3156 -78.5528 -97.4094 -56.2833 24.65 -188.145 -55.8278 PRESSAVG: 1132000 23.1147 -49.8971 -47.8835 -49.8971 22.385 -13.1448 -47.8836 -13.1449 -79.2098 GPRESSAVG: 1132000 22.8967 -49.788 -49.9149 -51.0918 23.427 -13.446 -44.3087 -12.4481 -80.1643 TIMING: 1132000 CPU: 3359.83, 0.0029721/step Wall: 3359.83, 0.0029721/step, 3.19335 hours remaining, 205.664062 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: 1132000 741.8034 2050.5043 1965.8397 116.3815 -205777.9052 17589.2427 0.0000 0.0000 34280.2888 -149033.8449 299.3783 -183314.1337 -148940.1492 299.2460 -35.3199 -1.4604 556685.7467 -11.2367 -11.2802 PRESSURE: 1132200 -20.0775 58.1758 -12.4362 58.1768 43.7811 176.313 -12.436 176.313 170.193 GPRESSURE: 1132200 42.6962 60.136 0.521904 112.461 98.8051 148.957 -17.3877 248.606 147.718 PRESSAVG: 1132200 56.271 15.1554 14.0118 15.1553 -21.6884 -2.29513 14.0118 -2.29525 -11.9154 GPRESSAVG: 1132200 57.2066 16.1297 14.6851 16.371 -20.9606 -2.14216 12.7634 -4.29221 -13.9816 TIMING: 1132200 CPU: 3360.43, 0.00299524/step Wall: 3360.43, 0.00299524/step, 3.21805 hours remaining, 205.664062 MB of memory in use. ENERGY: 1132200 750.1503 2104.4108 1950.4202 113.6362 -206391.5558 17930.0979 0.0000 0.0000 34420.3705 -149122.4700 300.6017 -183542.8405 -149022.1366 299.8523 64.6321 96.4064 555063.5548 7.5557 7.4215 LDB: ============= START OF LOAD BALANCING ============== 3363.86 LDB: ============== END OF LOAD BALANCING =============== 3363.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3363.86 LDB: ============= START OF LOAD BALANCING ============== 3364.16 LDB: Largest compute 4847 load 0.028756 is 24.4% of average load 0.117912 LDB: Average compute 0.001729 is 1.5% of average load 0.117912 LDB: TIME 3364.17 LOAD: AVG 0.117912 MAX 0.197719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.664 MB LDB: TIME 3364.17 LOAD: AVG 0.117912 MAX 0.197719 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.867 MB LDB: TIME 3364.17 LOAD: AVG 0.117912 MAX 0.197719 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3364.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3364.17 PRESSURE: 1132400 -35.3836 9.57244 -124.102 9.57321 -8.8857 -141.249 -124.101 -141.248 241.673 GPRESSURE: 1132400 46.9732 12.5195 -49.1832 30.0682 -7.1178 -43.1121 -106.275 -141.521 253.284 PRESSAVG: 1132400 -46.0403 11.6805 -49.2127 11.6805 -6.46001 -3.72326 -49.2128 -3.72319 85.3134 GPRESSAVG: 1132400 -46.0976 10.1093 -46.6952 12.0405 -7.43003 -3.3098 -50.5575 -2.46487 86.0763 TIMING: 1132400 CPU: 3361.04, 0.00305255/step Wall: 3361.04, 0.00305254/step, 3.27945 hours remaining, 205.867188 MB of memory in use. ENERGY: 1132400 726.2460 2048.9501 1946.6647 100.5258 -206140.9081 17962.4881 0.0000 0.0000 34303.8043 -149052.2292 299.5837 -183356.0335 -148961.7071 299.7271 65.8012 97.7133 556433.9292 10.9377 10.8496 PRESSURE: 1132600 116.148 -160.735 -63.915 -160.735 -150.077 56.6591 -63.9144 56.6582 2.54688 GPRESSURE: 1132600 82.6787 -146.979 22.9572 -96.7173 -64.089 101.471 -85.038 163.08 49.3636 PRESSAVG: 1132600 -32.5803 -3.58182 34.9971 -3.5819 -16.311 1.13598 34.9971 1.13594 54.0346 GPRESSAVG: 1132600 -32.7143 -3.55123 34.9151 -1.14445 -15.9015 1.47046 35.018 0.0435245 54.0796 TIMING: 1132600 CPU: 3361.64, 0.00299004/step Wall: 3361.64, 0.00299004/step, 3.21213 hours remaining, 205.867188 MB of memory in use. ENERGY: 1132600 737.4191 2084.2571 1942.3389 119.7144 -205854.0508 17507.9100 0.0000 0.0000 34306.5796 -149155.8315 299.6079 -183462.4112 -149062.7027 299.2885 -10.4609 22.6511 555425.8992 1.7144 1.8212 PRESSURE: 1132800 -120.581 -27.5146 -27.2226 -27.5145 -81.0981 -187.527 -27.2234 -187.528 13.3816 GPRESSURE: 1132800 -134.043 27.8784 40.7935 -85.5758 8.89339 -239.624 -79.6592 -164.704 34.259 PRESSAVG: 1132800 -10.7535 -65.8202 18.9889 -65.8203 25.3541 18.5282 18.9889 18.5282 -7.30534 GPRESSAVG: 1132800 -10.9427 -66.8902 16.5372 -68.1786 25.0961 16.7031 20.8497 19.4286 -6.81067 TIMING: 1132800 CPU: 3362.24, 0.00298334/step Wall: 3362.24, 0.00298334/step, 3.20477 hours remaining, 205.867188 MB of memory in use. ENERGY: 1132800 737.1914 2122.1919 1967.8186 114.4239 -205797.8869 17591.6796 0.0000 0.0000 34017.8990 -149246.6825 297.0868 -183264.5815 -149150.3046 299.5602 -62.7658 -30.2969 556547.7426 2.4317 2.4476 PRESSURE: 1133000 -201.437 -80.3722 111.503 -80.3719 61.7917 39.1076 111.503 39.1084 118.375 GPRESSURE: 1133000 -173.54 -32.701 127.852 38.836 87.2653 -46.3867 140.679 42.8166 158.001 PRESSAVG: 1133000 2.16054 15.0977 13.2188 15.0977 -2.98282 8.24748 13.2187 8.24733 -44.9927 GPRESSAVG: 1133000 2.05133 16.8195 14.1782 16.1533 -2.39019 7.86209 14.529 7.9313 -45.7276 TIMING: 1133000 CPU: 3362.83, 0.00298115/step Wall: 3362.83, 0.00298115/step, 3.20225 hours remaining, 205.867188 MB of memory in use. ENERGY: 1133000 736.2285 2082.7575 1940.8331 105.8032 -206233.7881 17792.8542 0.0000 0.0000 34389.2639 -149186.0477 300.3300 -183575.3116 -149088.4693 299.1584 -7.0900 23.9086 557274.7524 -15.2717 -15.3555 PRESSURE: 1133200 -48.5666 160.832 195.575 160.831 -74.7133 -10.6845 195.576 -10.6857 308.993 GPRESSURE: 1133200 -1.07065 135.999 220.385 157.765 -30.4496 -37.7845 216.055 10.6929 324.487 PRESSAVG: 1133200 -44.8275 37.5397 48.0298 37.5396 29.7827 8.45934 48.0299 8.45931 32.8225 GPRESSAVG: 1133200 -44.4292 35.3628 50.5856 37.9244 28.6368 10.5407 45.2521 8.46519 33.6658 TIMING: 1133200 CPU: 3363.42, 0.00295188/step Wall: 3363.42, 0.00295188/step, 3.17065 hours remaining, 205.867188 MB of memory in use. ENERGY: 1133200 716.3598 2055.8826 1928.6584 110.4603 -206053.8313 17773.2141 0.0000 0.0000 34117.8425 -149351.4136 297.9596 -183469.2561 -149252.1369 299.2614 61.9045 97.6555 555971.6607 5.9259 5.9578 PRESSURE: 1133400 -178.707 -57.0038 -78.238 -57.0038 -103.888 -92.2056 -78.2367 -92.2076 -54.3396 GPRESSURE: 1133400 -179.686 -86.1952 -37.1962 15.5545 -71.0298 -74.1321 -115.352 -117.928 -7.96984 PRESSAVG: 1133400 -35.7105 33.3832 54.7299 33.3832 29.2452 -38.0272 54.7298 -38.0272 47.2659 GPRESSAVG: 1133400 -36.0772 32.1734 52.5277 33.5464 28.8247 -38.7058 55.5468 -37.7765 48.1539 TIMING: 1133400 CPU: 3364.02, 0.00297066/step Wall: 3364.02, 0.00297066/step, 3.19065 hours remaining, 205.867188 MB of memory in use. ENERGY: 1133400 731.0743 2065.8250 1912.3055 99.3036 -206187.0353 17693.8054 0.0000 0.0000 34367.2700 -149317.4516 300.1379 -183684.7215 -149217.7978 299.0529 -112.3114 -86.2286 557834.8046 13.6002 13.6338 PRESSURE: 1133600 -122.323 -54.0929 -26.1023 -54.092 196.052 29.3709 -26.103 29.3708 -52.57 GPRESSURE: 1133600 -54.6654 -9.70826 10.8024 -100.967 195.6 -90.9787 -136.486 103.136 -27.9038 PRESSAVG: 1133600 -77.0956 -40.5016 -8.92065 -40.5015 10.5444 66.4805 -8.92066 66.4805 24.3394 GPRESSAVG: 1133600 -76.9189 -38.463 -9.37058 -41.7987 10.5765 65.3654 -7.14744 66.4982 23.7953 TIMING: 1133600 CPU: 3364.61, 0.00297123/step Wall: 3364.61, 0.00297123/step, 3.1911 hours remaining, 205.867188 MB of memory in use. ENERGY: 1133600 764.2389 2135.1938 1932.9945 115.7914 -206383.7765 17904.7898 0.0000 0.0000 34238.1917 -149292.5764 299.0106 -183530.7681 -149196.6140 299.7461 7.0530 37.6768 558076.8494 -14.0706 -14.1823 PRESSURE: 1133800 -447.919 -12.1444 19.7055 -12.1438 -224.653 -64.6698 19.7044 -64.6709 -24.545 GPRESSURE: 1133800 -424.271 -11.283 38.1684 -32.8092 -112.743 -59.7446 -14.72 -49.154 -55.7896 PRESSAVG: 1133800 -80.7564 0.0693636 31.9526 0.0693422 49.5415 -1.46291 31.9527 -1.46289 24.0737 GPRESSAVG: 1133800 -80.6909 -0.0805017 30.8168 1.02634 49.7755 -2.12835 30.846 -2.45547 23.7454 TIMING: 1133800 CPU: 3365.21, 0.00296472/step Wall: 3365.21, 0.00296472/step, 3.18394 hours remaining, 205.867188 MB of memory in use. ENERGY: 1133800 768.8698 2140.1304 1973.8066 126.2528 -206034.2597 17608.9755 0.0000 0.0000 34317.8807 -149098.3438 299.7066 -183416.2245 -149001.8056 299.8024 -232.3726 -197.6012 560107.5180 -2.3804 -2.3900 PRESSURE: 1134000 74.7198 17.0228 -59.7383 17.024 13.0309 -119.278 -59.7369 -119.278 -263.571 GPRESSURE: 1134000 97.28 -29.7874 -81.3826 7.98102 43.4718 -129.628 -31.6812 -160.33 -222.088 PRESSAVG: 1134000 12.6306 -9.73416 7.28893 -9.73418 -1.74203 -33.91 7.2889 -33.91 -8.58519 GPRESSAVG: 1134000 13.8768 -9.7467 8.0291 -11.7324 -2.41919 -32.7147 6.47565 -32.3704 -9.26166 TIMING: 1134000 CPU: 3365.8, 0.00298328/step Wall: 3365.8, 0.00298328/step, 3.20371 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: 1134000 756.1539 2124.4739 1937.6558 118.5415 -206236.6121 17886.2800 0.0000 0.0000 34277.8525 -149135.6545 299.3570 -183413.5070 -149032.0725 299.3509 -58.6067 -27.1121 559035.6764 0.7678 0.7320 PRESSURE: 1134200 51.8123 60.6806 -90.5058 60.6808 -380.886 -72.6431 -90.5061 -72.6424 -91.7348 GPRESSURE: 1134200 108.918 43.8117 -44.9376 68.8388 -387.665 0.251041 -70.6307 -80.4351 -40.4941 PRESSAVG: 1134200 91.8989 42.6478 -2.55567 42.6478 -9.77774 35.4187 -2.55563 35.4187 -54.8873 GPRESSAVG: 1134200 92.3283 43.0732 -1.02278 44.0895 -9.84513 33.894 -2.88015 34.1664 -55.5394 TIMING: 1134200 CPU: 3366.4, 0.00298675/step Wall: 3366.4, 0.00298675/step, 3.20727 hours remaining, 205.867188 MB of memory in use. ENERGY: 1134200 764.6723 2072.2028 1950.8387 107.0868 -205808.9687 17615.8446 0.0000 0.0000 34244.5323 -149053.7910 299.0660 -183298.3234 -148956.0038 299.4759 -140.2694 -106.4138 558411.0403 9.0780 8.9813 PRESSURE: 1134400 -5.70955 -167.38 70.5676 -167.38 -104.638 -174.73 70.5674 -174.73 112.461 GPRESSURE: 1134400 56.9047 -112.209 127.537 -194.609 -40.5457 -197.54 45.4795 -83.8227 95.0686 PRESSAVG: 1134400 82.8779 -21.1885 28.6585 -21.1885 -78.4468 -21.5243 28.6584 -21.5243 10.5108 GPRESSAVG: 1134400 81.6534 -21.4757 27.5499 -20.0429 -78.0283 -20.2981 29.2054 -21.7844 11.0719 TIMING: 1134400 CPU: 3367, 0.00298253/step Wall: 3367, 0.00298253/step, 3.20257 hours remaining, 205.867188 MB of memory in use. ENERGY: 1134400 745.9202 2118.9768 1962.7752 106.1436 -205995.4672 17707.3934 0.0000 0.0000 34352.3453 -149001.9128 300.0076 -183354.2581 -148905.8068 299.6627 0.7043 37.1426 558709.4499 4.9806 4.8990 PRESSURE: 1134600 86.4652 -137.744 123.42 -137.743 -91.7452 33.6308 123.419 33.6307 32.9546 GPRESSURE: 1134600 142.344 -175.697 112.279 -25.4268 -26.3057 51.6771 92.4123 38.1761 25.7127 PRESSAVG: 1134600 -0.0338154 4.41367 -8.77619 4.41369 -32.8941 -26.6208 -8.77619 -26.6209 -6.68021 GPRESSAVG: 1134600 -1.0877 3.4337 -7.14798 2.63853 -32.5026 -28.9937 -9.80659 -24.4414 -5.22261 TIMING: 1134600 CPU: 3367.59, 0.00297014/step Wall: 3367.59, 0.00297014/step, 3.18911 hours remaining, 205.867188 MB of memory in use. ENERGY: 1134600 763.4261 2145.8341 1937.6500 119.7490 -206324.4642 17927.8783 0.0000 0.0000 34485.2656 -148944.6611 301.1684 -183429.9267 -148846.4399 299.9500 9.2248 47.2504 556471.8932 -13.2027 -12.9376 PRESSURE: 1134800 -8.11272 14.5897 -36.9872 14.5889 0.920901 -42.2564 -36.9873 -42.256 94.693 GPRESSURE: 1134800 43.0251 68.1917 -119.059 71.1588 -37.9419 45.8663 73.7561 -124.812 164.82 PRESSAVG: 1134800 -4.50847 -10.8361 -37.7431 -10.836 7.35676 24.0869 -37.7431 24.0866 16.6444 GPRESSAVG: 1134800 -3.83615 -10.5198 -39.3892 -9.31085 7.90156 27.3196 -36.7852 24.3682 15.3486 TIMING: 1134800 CPU: 3368.18, 0.00294791/step Wall: 3368.18, 0.00294791/step, 3.16507 hours remaining, 205.867188 MB of memory in use. ENERGY: 1134800 768.7013 2194.9390 1956.4586 125.3239 -206393.9880 17955.5946 0.0000 0.0000 34524.1916 -148868.7790 301.5084 -183392.9705 -148770.3255 300.4772 29.1671 56.6344 556852.0696 6.4976 6.4713 PRESSURE: 1135000 -247.095 -28.3296 211.559 -28.3279 -133.247 -26.8665 211.558 -26.8654 -312.518 GPRESSURE: 1135000 -208.799 -58.2493 211.65 24.0114 -95.2011 -65.4663 226.504 13.6161 -284.128 PRESSAVG: 1135000 7.6499 -10.5482 26.3939 -10.5481 -26.2825 1.58715 26.3939 1.58703 52.6897 GPRESSAVG: 1135000 6.79505 -11.1627 28.4217 -10.7864 -26.1756 0.539749 26.2969 1.47528 53.0185 TIMING: 1135000 CPU: 3368.78, 0.0029763/step Wall: 3368.78, 0.0029763/step, 3.19539 hours remaining, 205.867188 MB of memory in use. ENERGY: 1135000 762.3700 2100.6015 1959.5610 117.1242 -205549.7891 17329.6842 0.0000 0.0000 34426.7031 -148853.7452 300.6570 -183280.4483 -148750.9950 301.0721 -230.9533 -196.0428 557274.9234 11.3524 11.2126 PRESSURE: 1135200 182.83 174.68 -198.759 174.681 3.57859 -110.524 -198.758 -110.525 163.069 GPRESSURE: 1135200 200.158 160.214 -254.701 227.28 70.1681 -5.04519 -165.527 -156.773 159.423 PRESSAVG: 1135200 28.8691 20.21 -33.0622 20.2101 2.7256 24.8902 -33.0621 24.8902 -16.205 GPRESSAVG: 1135200 29.5446 19.5174 -36.8247 20.6111 3.09797 25.71 -31.2859 22.4162 -17.3251 TIMING: 1135200 CPU: 3369.36, 0.00294642/step Wall: 3369.36, 0.00294641/step, 3.16314 hours remaining, 205.867188 MB of memory in use. ENERGY: 1135200 754.1189 2085.0896 1935.0814 99.0067 -206307.2599 18024.5264 0.0000 0.0000 34389.6625 -149019.7745 300.3335 -183409.4370 -148922.5407 300.4808 116.4925 143.2497 555403.2545 5.1299 5.1058 PRESSURE: 1135400 -40.2416 179.64 -43.2131 179.638 153.546 187.227 -43.2125 187.226 -75.3513 GPRESSURE: 1135400 -23.3473 121.666 -71.0405 130.121 157.93 131.005 -64.7786 158.819 6.86968 PRESSAVG: 1135400 -29.5978 33.05 -31.1166 33.0501 53.4584 22.2591 -31.1167 22.2591 -23.9529 GPRESSAVG: 1135400 -30.3666 34.2182 -29.8497 33.8674 53.5589 21.8346 -32.2214 23.2019 -23.5091 TIMING: 1135400 CPU: 3369.95, 0.00294663/step Wall: 3369.95, 0.00294663/step, 3.1632 hours remaining, 205.867188 MB of memory in use. ENERGY: 1135400 786.7498 2106.5655 1915.9534 117.8051 -206255.2810 17834.8243 0.0000 0.0000 34467.9574 -149025.4255 301.0172 -183493.3829 -148927.4808 300.4231 12.6512 47.1507 556611.3306 -0.0308 -0.1056 PRESSURE: 1135600 -11.3137 -94.4811 -26.0974 -94.4809 -55.3722 37.114 -26.0978 37.1136 -30.3495 GPRESSURE: 1135600 85.2423 -94.7128 -16.2877 -101.243 -53.5134 -38.6098 -70.197 40.615 -40.7941 PRESSAVG: 1135600 21.1991 24.5939 2.108 24.5939 -7.25121 30.0802 2.10796 30.0801 -0.398952 GPRESSAVG: 1135600 22.0143 22.3702 3.21198 23.1931 -7.74266 30.5516 0.630179 29.3539 -0.495256 TIMING: 1135600 CPU: 3370.54, 0.00295264/step Wall: 3370.54, 0.00295264/step, 3.16949 hours remaining, 205.867188 MB of memory in use. ENERGY: 1135600 751.3718 2069.9041 1941.4558 118.0348 -206022.7749 17705.0319 0.0000 0.0000 34427.4306 -149009.5460 300.6633 -183436.9766 -148912.8238 299.6548 -32.3451 -3.0217 557180.9302 4.5163 4.5921 PRESSURE: 1135800 35.033 16.8703 -15.0656 16.8696 107.381 -143.027 -15.0663 -143.028 -31.4055 GPRESSURE: 1135800 64.8292 -27.3278 44.7599 67.2148 173.369 -182.501 1.68022 -113.431 -21.9173 PRESSAVG: 1135800 20.6102 53.4723 -33.4981 53.4722 8.89582 -17.8935 -33.4981 -17.8936 19.0259 GPRESSAVG: 1135800 21.2178 55.4859 -33.4837 52.2351 7.86854 -17.9809 -32.2346 -16.8584 19.7244 TIMING: 1135800 CPU: 3371.13, 0.00294944/step Wall: 3371.13, 0.00294944/step, 3.1659 hours remaining, 205.867188 MB of memory in use. ENERGY: 1135800 738.6547 2092.5551 1952.4739 111.6627 -206097.7769 17793.2546 0.0000 0.0000 34407.1190 -149002.0567 300.4859 -183409.1757 -148911.8938 300.1647 37.0029 72.0936 557705.1015 16.1773 16.2702 PRESSURE: 1136000 -310.622 17.6614 -130.347 17.66 -163.088 50.4192 -130.346 50.4201 27.792 GPRESSURE: 1136000 -247.418 9.6955 -68.0231 -30.6378 -121.639 89.3414 -80.9467 3.48158 10.0387 PRESSAVG: 1136000 -18.243 4.69315 31.9317 4.69307 43.6156 -35.5191 31.9317 -35.5191 7.90268 GPRESSAVG: 1136000 -18.7949 5.1946 33.3536 5.38391 43.9359 -35.7921 30.4088 -34.1051 7.74039 TIMING: 1136000 CPU: 3371.73, 0.00296016/step Wall: 3371.73, 0.00296016/step, 3.17723 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: 1136000 724.4539 2086.8701 1912.2421 123.1565 -205682.3246 17600.5721 0.0000 0.0000 34035.0707 -149199.9593 297.2367 -183235.0299 -149099.3141 299.6042 -148.6393 -119.6727 559790.6651 11.0918 10.9605 PRESSURE: 1136200 -94.3728 -123.171 -43.5208 -123.17 30.617 -83.1177 -43.521 -83.1172 -139.058 GPRESSURE: 1136200 -49.4538 -209.993 -28.078 -125.531 11.5708 -44.4132 14.5257 -58.4813 -81.2571 PRESSAVG: 1136200 -10.9473 33.5828 -22.0629 33.5829 25.8847 -6.7728 -22.0629 -6.77278 0.759511 GPRESSAVG: 1136200 -11.1633 33.2954 -23.9918 34.7416 26.0692 -7.12721 -20.3963 -8.03628 0.545546 TIMING: 1136200 CPU: 3372.32, 0.00295235/step Wall: 3372.32, 0.00295234/step, 3.16869 hours remaining, 205.867188 MB of memory in use. ENERGY: 1136200 766.9405 2093.1901 1953.6944 121.6068 -205887.7231 17632.6419 0.0000 0.0000 34262.5529 -149057.0963 299.2234 -183319.6493 -148963.0222 299.1533 -67.6045 -39.7134 556508.2809 5.2323 5.1505 LDB: ============= START OF LOAD BALANCING ============== 3375.74 LDB: ============== END OF LOAD BALANCING =============== 3375.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3375.74 LDB: ============= START OF LOAD BALANCING ============== 3376.04 LDB: Largest compute 4847 load 0.030446 is 25.8% of average load 0.117865 LDB: Average compute 0.001733 is 1.5% of average load 0.117865 LDB: TIME 3376.04 LOAD: AVG 0.117865 MAX 0.196287 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.867 MB LDB: TIME 3376.04 LOAD: AVG 0.117865 MAX 0.196287 PROXIES: TOTAL 982 MAXPE 14 MAXPATCH 8 RefineTorusLB MEM: 205.867 MB LDB: TIME 3376.04 LOAD: AVG 0.117865 MAX 0.196287 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: ============== END OF LOAD BALANCING =============== 3376.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3376.05 PRESSURE: 1136400 -267.276 184.019 -100.364 184.019 10.4117 -80.0197 -100.364 -80.0184 -118.495 GPRESSURE: 1136400 -243.971 136.558 -115.326 155.902 52.604 -120.99 -45.9794 30.8532 -85.7039 PRESSAVG: 1136400 6.84056 -27.6216 -31.2539 -27.6216 -0.821027 -4.48552 -31.254 -4.48546 -44.0659 GPRESSAVG: 1136400 6.60495 -26.4122 -32.0517 -27.6604 0.70237 -4.47924 -31.7535 -4.97074 -44.6181 TIMING: 1136400 CPU: 3372.92, 0.00301466/step Wall: 3372.92, 0.00301466/step, 3.2354 hours remaining, 205.871094 MB of memory in use. ENERGY: 1136400 778.8070 2088.9682 1954.4390 120.9194 -206556.5040 18003.2208 0.0000 0.0000 34540.8215 -149069.3280 301.6536 -183610.1495 -148968.9248 299.8294 -125.1197 -92.3568 559352.8990 -12.6821 -12.4369 PRESSURE: 1136600 -148.883 241.119 138.561 241.119 -174.076 74.6632 138.56 74.6642 -154.883 GPRESSURE: 1136600 -109.485 186.4 83.4394 218.723 -146.349 76.2872 160.319 95.3873 -123.308 PRESSAVG: 1136600 47.6934 20.2328 -63.551 20.2328 -1.52608 22.4115 -63.5509 22.4114 -23.5738 GPRESSAVG: 1136600 46.8748 20.4625 -61.566 18.705 -1.44536 22.8048 -63.6422 22.5567 -22.378 TIMING: 1136600 CPU: 3373.52, 0.00299077/step Wall: 3373.52, 0.00299077/step, 3.2096 hours remaining, 206.074219 MB of memory in use. ENERGY: 1136600 795.3508 2124.8734 1930.6552 113.6496 -206105.2090 17780.9834 0.0000 0.0000 34137.9902 -149221.7065 298.1356 -183359.6967 -149128.0849 298.9876 -159.2806 -126.3804 559427.6015 7.5312 7.6838 PRESSURE: 1136800 367.73 58.368 23.2798 58.3687 -105.748 -104.616 23.2795 -104.616 205.618 GPRESSURE: 1136800 349.914 7.00458 -5.25406 129.169 -47.6826 -32.464 62.1781 -126.861 258.504 PRESSAVG: 1136800 64.1296 29.3399 -7.08641 29.3398 -24.4704 -5.70292 -7.08641 -5.70298 -62.7829 GPRESSAVG: 1136800 64.8324 30.469 -7.43183 27.9282 -24.3753 -6.34301 -6.31256 -3.90804 -63.3317 TIMING: 1136800 CPU: 3374.12, 0.00301188/step Wall: 3374.12, 0.00301188/step, 3.23208 hours remaining, 206.074219 MB of memory in use. ENERGY: 1136800 764.1345 2044.2430 1960.3005 136.9349 -206468.2799 18117.7160 0.0000 0.0000 34175.6883 -149269.2627 298.4648 -183444.9510 -149174.5211 299.0066 155.8667 186.9119 556613.7249 -7.7079 -7.6249 PRESSURE: 1137000 -57.7695 -27.8925 81.3334 -27.8936 -155.523 -69.2703 81.3338 -69.2694 -181.12 GPRESSURE: 1137000 -15.8296 -91.8147 40.6382 -1.15083 -164.839 -28.5282 114.871 -113.875 -119.44 PRESSAVG: 1137000 22.9427 12.9391 -43.643 12.9391 -5.51172 -40.4997 -43.6431 -40.4998 -16.849 GPRESSAVG: 1137000 23.4162 12.4869 -44.8373 15.4068 -6.90846 -38.7853 -43.9707 -43.5317 -15.7587 TIMING: 1137000 CPU: 3374.72, 0.00298869/step Wall: 3374.72, 0.00298869/step, 3.20703 hours remaining, 206.074219 MB of memory in use. ENERGY: 1137000 751.8409 2115.6375 1939.3931 125.7030 -206241.1925 17792.4936 0.0000 0.0000 34212.3766 -149303.7478 298.7852 -183516.1244 -149205.2584 299.5889 -131.4708 -100.0362 558039.2392 0.1940 0.2497 PRESSURE: 1137200 -101.193 -0.832571 -45.7436 -0.833175 -209.325 167.124 -45.7438 167.124 -279.464 GPRESSURE: 1137200 -54.5229 -85.9026 20.5854 62.3909 -224.187 120.429 -107.663 204.47 -210.347 PRESSAVG: 1137200 21.4289 13.8903 40.8758 13.8903 -3.03664 -13.0109 40.8758 -13.0109 19.204 GPRESSAVG: 1137200 22.5326 13.0019 40.3631 12.5067 -3.6742 -14.5391 40.2957 -9.92108 18.4704 TIMING: 1137200 CPU: 3375.32, 0.00300451/step Wall: 3375.32, 0.00300451/step, 3.22384 hours remaining, 206.074219 MB of memory in use. ENERGY: 1137200 769.6103 2064.0194 1926.5897 103.3790 -205695.7478 17361.5788 0.0000 0.0000 34229.3198 -149241.2509 298.9332 -183470.5707 -149140.4130 298.7259 -196.6606 -163.0192 556945.5557 12.5321 12.4429 PRESSURE: 1137400 -202.463 -132.877 -16.3212 -132.875 -239.168 180.336 -16.3227 180.335 -128.014 GPRESSURE: 1137400 -137.319 -114.902 -29.5137 -64.5248 -201.409 251.181 11.7418 198.207 -137.683 PRESSAVG: 1137400 59.9745 -5.48859 26.4802 -5.48864 -34.8033 3.23061 26.4802 3.2305 -1.64464 GPRESSAVG: 1137400 59.8577 -6.03781 27.6609 -5.50895 -34.8223 5.40545 25.2244 0.303504 -1.95652 TIMING: 1137400 CPU: 3375.92, 0.00300295/step Wall: 3375.92, 0.00300295/step, 3.222 hours remaining, 206.074219 MB of memory in use. ENERGY: 1137400 797.5487 2071.4064 1928.6296 107.1503 -205662.8365 17371.9081 0.0000 0.0000 34173.4341 -149212.7591 298.4451 -183386.1933 -149118.6201 299.5714 -189.8819 -158.8040 556086.2137 7.8422 7.6930 PRESSURE: 1137600 -162.737 -63.5487 3.50773 -63.5497 -158.435 -100.5 3.50788 -100.501 -109.688 GPRESSURE: 1137600 -110.686 -143.653 -45.574 -29.8408 -132.044 -24.502 -24.3326 -126.655 -92.7745 PRESSAVG: 1137600 20.3078 1.7356 -18.8968 1.73557 -68.487 2.92062 -18.8969 2.92065 -14.4591 GPRESSAVG: 1137600 20.1094 2.19755 -19.3982 3.81721 -68.0814 2.21548 -18.2955 4.12499 -14.1632 TIMING: 1137600 CPU: 3376.52, 0.00301368/step Wall: 3376.52, 0.00301368/step, 3.23335 hours remaining, 206.074219 MB of memory in use. ENERGY: 1137600 719.2917 2055.3647 1937.3716 104.8667 -206015.3627 17530.4029 0.0000 0.0000 34310.2269 -149357.8382 299.6397 -183668.0651 -149254.9511 298.9313 -143.6199 -111.8348 557300.0600 -20.8794 -20.7118 PRESSURE: 1137800 -0.132882 -88.5881 -69.2062 -88.5889 189.334 -108.646 -69.2074 -108.646 144.197 GPRESSURE: 1137800 38.0053 -63.1473 -97.756 -202.699 201.977 -91.1336 6.60302 -104.014 180.333 PRESSAVG: 1137800 -93.931 34.3625 9.38632 34.3625 9.11335 28.8964 9.38638 28.8966 87.861 GPRESSAVG: 1137800 -94.8658 35.5701 8.93796 32.5616 9.0491 30.8947 9.57752 29.3954 88.5083 TIMING: 1137800 CPU: 3377.12, 0.0029856/step Wall: 3377.12, 0.0029856/step, 3.20305 hours remaining, 206.074219 MB of memory in use. ENERGY: 1137800 748.9401 2075.2801 1919.5970 122.1058 -206412.7719 17868.5055 0.0000 0.0000 34269.3091 -149409.0343 299.2824 -183678.3434 -149311.1589 298.6896 111.1326 140.1052 555038.6871 1.0145 0.8972 PRESSURE: 1138000 -307.658 -73.4169 9.15657 -73.4168 -217.535 115.086 9.15647 115.086 -208.659 GPRESSURE: 1138000 -260.104 -119.624 -45.6472 -43.9648 -161.256 7.03619 -9.52497 98.1168 -201.824 PRESSAVG: 1138000 -25.7765 1.60825 23.9347 1.60829 49.9894 46.6523 23.9348 46.6525 -6.74835 GPRESSAVG: 1138000 -24.317 1.60514 25.5142 1.84615 49.1315 43.7724 24.9299 47.2505 -7.67551 TIMING: 1138000 CPU: 3377.72, 0.00298733/step Wall: 3377.72, 0.00298733/step, 3.20474 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: 1138000 756.4809 2103.1003 1922.6180 114.1831 -206068.5039 17455.2837 0.0000 0.0000 34261.7841 -149455.0538 299.2167 -183716.8379 -149358.6036 299.0883 -244.6174 -207.7279 556724.2530 5.8215 5.7130 PRESSURE: 1138200 -182.684 0.864542 218.725 0.86444 -69.9192 15.7967 218.726 15.7967 -157.296 GPRESSURE: 1138200 -171.106 -41.9935 239.674 7.35028 -26.2259 -19.6093 214.453 85.8873 -105.936 PRESSAVG: 1138200 35.4188 -37.2874 28.5846 -37.2873 -9.10202 14.2337 28.5846 14.2337 -20.1043 GPRESSAVG: 1138200 34.3402 -37.213 27.5264 -36.7478 -7.95551 13.5203 28.3112 13.5763 -20.062 TIMING: 1138200 CPU: 3378.31, 0.00298517/step Wall: 3378.31, 0.00298517/step, 3.20226 hours remaining, 206.074219 MB of memory in use. ENERGY: 1138200 715.9956 2028.6843 1952.1177 111.5419 -206042.7771 17644.7392 0.0000 0.0000 34202.3967 -149387.3018 298.6980 -183589.6985 -149295.0882 298.1011 -136.6329 -101.0893 557294.0116 2.0708 2.1075 PRESSURE: 1138400 -16.2376 -8.84666 -29.5881 -8.84613 -96.407 -167.308 -29.5887 -167.308 -64.0589 GPRESSURE: 1138400 32.5485 68.041 -90.532 54.3114 -94.5256 -141.096 -11.1108 -141.41 -26.7308 PRESSAVG: 1138400 47.2309 -31.9854 18.9035 -31.9854 -20.6007 -27.8155 18.9035 -27.8155 -59.3025 GPRESSAVG: 1138400 46.5526 -33.433 17.8305 -30.6762 -18.4155 -25.7004 18.3452 -28.1466 -60.6587 TIMING: 1138400 CPU: 3378.91, 0.00299838/step Wall: 3378.91, 0.00299838/step, 3.21627 hours remaining, 206.074219 MB of memory in use. ENERGY: 1138400 748.8165 2082.8424 1911.3977 112.7607 -206391.6454 17870.3232 0.0000 0.0000 34261.4411 -149404.0638 299.2137 -183665.5049 -149308.7818 298.3758 -58.9012 -29.5693 557448.8946 -10.8908 -10.8405 PRESSURE: 1138600 267.914 38.3153 41.4558 38.3136 -189.273 116.126 41.4557 116.126 53.429 GPRESSURE: 1138600 286.022 85.7955 -43.7111 -43.3405 -137.613 37.504 0.309437 168.204 72.3596 PRESSAVG: 1138600 64.5025 0.665513 -26.8365 0.665564 -21.6025 48.0285 -26.8365 48.0284 13.798 GPRESSAVG: 1138600 65.3723 1.8254 -24.959 0.71222 -23.5317 47.1402 -26.3062 49.1151 15.6845 TIMING: 1138600 CPU: 3379.52, 0.00300932/step Wall: 3379.52, 0.00300932/step, 3.22783 hours remaining, 206.074219 MB of memory in use. ENERGY: 1138600 710.7335 2112.0169 1941.7092 113.0643 -206248.6425 17755.0949 0.0000 0.0000 34433.6362 -149182.3876 300.7175 -183616.0237 -149087.9074 299.4031 44.0232 73.5894 556795.1102 18.8993 19.1750 PRESSURE: 1138800 -406.787 -27.1906 43.774 -27.1907 -203.624 -72.6141 43.7751 -72.6146 -170.565 GPRESSURE: 1138800 -321.541 -45.9522 6.96503 -140.183 -226.891 -21.4396 33.7097 38.3373 -128.462 PRESSAVG: 1138800 111.84 29.9943 29.0959 29.9943 -84.8901 19.8545 29.0959 19.8544 5.86246 GPRESSAVG: 1138800 112.761 29.771 28.4818 29.5063 -84.7047 22.0893 27.3985 18.534 4.80423 TIMING: 1138800 CPU: 3380.12, 0.00302649/step Wall: 3380.12, 0.00302649/step, 3.24608 hours remaining, 206.074219 MB of memory in use. ENERGY: 1138800 727.2905 2118.6394 1941.6314 106.1310 -205874.2477 17438.3415 0.0000 0.0000 34412.8583 -149129.3556 300.5361 -183542.2139 -149034.5596 299.3037 -260.3252 -225.6313 558473.5740 10.9375 10.9534 PRESSURE: 1139000 315.732 -26.7871 135.887 -26.7878 -144.841 -8.52836 135.886 -8.52924 190.491 GPRESSURE: 1139000 359.03 -48.1108 117.973 -26.4898 -134.829 -53.5096 151.502 3.47252 235.397 PRESSAVG: 1139000 -4.18138 16.5548 4.95801 16.5548 -3.21198 1.46142 4.95792 1.46133 -10.851 GPRESSAVG: 1139000 -4.58546 16.4904 4.81937 15.6371 -3.68181 -0.430456 5.36333 4.32619 -9.96249 TIMING: 1139000 CPU: 3380.73, 0.00302905/step Wall: 3380.73, 0.00302905/step, 3.24865 hours remaining, 206.074219 MB of memory in use. ENERGY: 1139000 748.7050 2132.6874 1954.7900 117.8457 -206757.4637 18124.3566 0.0000 0.0000 34202.4677 -149476.6112 298.6987 -183679.0789 -149380.7912 298.8710 120.4607 153.1991 558424.9735 -6.0814 -6.0766 PRESSURE: 1139200 -77.4446 -139.741 -135.638 -139.741 -42.7382 35.4161 -135.639 35.4175 170.792 GPRESSURE: 1139200 -34.323 -147.739 -59.96 -103.915 -5.40364 123.288 -221.253 5.1631 164.295 PRESSAVG: 1139200 2.74042 14.3035 -2.52906 14.3035 -31.7194 54.5723 -2.52905 54.5722 41.8 GPRESSAVG: 1139200 2.99117 13.4028 -3.22732 14.984 -31.9696 55.0246 -1.45641 52.3968 42.2501 TIMING: 1139200 CPU: 3381.33, 0.00302917/step Wall: 3381.33, 0.00302917/step, 3.24861 hours remaining, 206.074219 MB of memory in use. ENERGY: 1139200 733.2070 2164.7508 1935.9607 116.0244 -206260.7865 17746.5722 0.0000 0.0000 34288.5607 -149275.7107 299.4505 -183564.2714 -149176.1209 298.8817 16.8696 41.5228 557878.9166 4.2737 4.4239 PRESSURE: 1139400 -112.728 -222.599 14.069 -222.599 -290.778 28.8626 14.0682 28.8628 -74.0235 GPRESSURE: 1139400 -43.9428 -223.025 11.6164 -188.855 -318.548 33.8454 -35.0907 -20.136 -13.5311 PRESSAVG: 1139400 -10.8969 -42.4557 -33.7327 -42.4556 -48.3577 11.1348 -33.7327 11.1347 -31.8177 GPRESSAVG: 1139400 -11.8597 -41.0933 -33.0942 -43.8638 -47.5635 11.2996 -33.626 10.6519 -31.7219 TIMING: 1139400 CPU: 3381.94, 0.00301972/step Wall: 3381.94, 0.00301972/step, 3.23831 hours remaining, 206.074219 MB of memory in use. ENERGY: 1139400 748.7600 2071.2367 1956.9801 131.5404 -206085.5412 17719.9769 0.0000 0.0000 34158.2800 -149298.7672 298.3128 -183457.0472 -149199.0605 299.3569 -159.1765 -125.3406 558563.1046 -30.3574 -30.3817 PRESSURE: 1139600 -242.81 -35.6648 -52.6766 -35.6636 -174.696 27.4381 -52.676 27.4372 -75.9842 GPRESSURE: 1139600 -203.309 17.5204 -4.36037 -8.10876 -153.635 45.8289 -112.677 37.5001 -46.217 PRESSAVG: 1139600 45.1846 6.02338 50.8216 6.02342 -29.481 -6.71272 50.8216 -6.7126 6.51843 GPRESSAVG: 1139600 45.7489 3.54366 50.2971 8.0899 -29.3956 -6.08848 51.8817 -4.40602 5.44674 TIMING: 1139600 CPU: 3382.54, 0.00299949/step Wall: 3382.54, 0.00299949/step, 3.21646 hours remaining, 206.074219 MB of memory in use. ENERGY: 1139600 754.1685 2063.3046 1954.3238 125.0992 -206226.0439 17626.3401 0.0000 0.0000 34370.0422 -149332.7655 300.1621 -183702.8077 -149235.0393 299.3189 -164.4969 -134.3869 555721.7260 7.4073 7.2667 PRESSURE: 1139800 -71.2962 145.102 -129.959 145.101 111.615 -135.777 -129.96 -135.778 -344.618 GPRESSURE: 1139800 17.5118 101.618 -72.7883 179.149 161.223 -60.9544 -176.077 -196.608 -383.206 PRESSAVG: 1139800 -14.4562 20.7856 -10.2681 20.7857 -35.1398 25.1793 -10.2681 25.1792 91.2365 GPRESSAVG: 1139800 -14.3087 21.0488 -8.72365 20.5598 -35.0277 24.5193 -11.4496 23.2713 91.4808 TIMING: 1139800 CPU: 3383.13, 0.00295767/step Wall: 3383.13, 0.00295767/step, 3.17145 hours remaining, 206.074219 MB of memory in use. ENERGY: 1139800 774.4720 2078.8299 1955.8134 106.0210 -206178.9436 17708.7519 0.0000 0.0000 34390.8182 -149164.2373 300.3436 -183555.0555 -149060.4876 299.1521 -101.4332 -68.1568 556273.3077 13.8802 14.0481 PRESSURE: 1140000 -109.816 -68.3741 -49.8195 -68.3733 -220.843 -111.591 -49.8194 -111.591 32.4785 GPRESSURE: 1140000 -92.8904 -55.8168 -112.623 -110.205 -138.679 -137.933 5.2924 0.760572 17.7735 PRESSAVG: 1140000 4.23397 36.1166 22.5434 36.1166 1.03028 3.70869 22.5435 3.70879 28.0716 GPRESSAVG: 1140000 3.67249 36.6996 21.4994 34.7761 1.09092 4.58998 21.6853 3.68579 28.2192 TIMING: 1140000 CPU: 3383.72, 0.0029822/step Wall: 3383.72, 0.0029822/step, 3.19759 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: 1140000 781.0148 2083.7777 1971.5816 122.6944 -206334.1167 17674.0661 0.0000 0.0000 34289.2559 -149411.7262 299.4566 -183700.9821 -149319.9846 299.7146 -99.3934 -71.2652 555680.3526 11.1119 10.9942 PRESSURE: 1140200 -13.0257 -111.3 -106.5 -111.299 78.8046 -32.6444 -106.501 -32.645 -69.2647 GPRESSURE: 1140200 -10.1387 57.5554 -167.702 -161.229 125.481 -55.1563 -53.9679 -1.60383 -23.7394 PRESSAVG: 1140200 24.3018 -21.4763 26.573 -21.4763 18.1771 15.0059 26.573 15.0059 -40.8033 GPRESSAVG: 1140200 23.4268 -21.2917 27.1642 -20.2295 18.6446 13.4766 26.8299 13.8779 -40.5332 TIMING: 1140200 CPU: 3384.32, 0.0029984/step Wall: 3384.32, 0.0029984/step, 3.21478 hours remaining, 206.074219 MB of memory in use. ENERGY: 1140200 755.6817 2089.4478 1951.7657 109.5205 -206358.5745 17818.2122 0.0000 0.0000 34188.4420 -149445.5047 298.5762 -183633.9467 -149350.4195 298.5400 -1.1619 30.5344 555784.4268 0.5585 0.5127 LDB: ============= START OF LOAD BALANCING ============== 3387.76 LDB: ============== END OF LOAD BALANCING =============== 3387.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3387.76 LDB: ============= START OF LOAD BALANCING ============== 3388.06 LDB: Largest compute 4821 load 0.029759 is 25.2% of average load 0.118000 LDB: Average compute 0.001728 is 1.5% of average load 0.118000 LDB: TIME 3388.06 LOAD: AVG 0.118 MAX 0.195403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.062 MB LDB: TIME 3388.07 LOAD: AVG 0.118 MAX 0.195403 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.062 MB LDB: TIME 3388.07 LOAD: AVG 0.118 MAX 0.195403 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.062 MB LDB: ============== END OF LOAD BALANCING =============== 3388.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3388.07 PRESSURE: 1140400 -181.859 39.9712 -49.9422 39.9704 -278.591 -187.014 -49.9434 -187.015 81.5338 GPRESSURE: 1140400 -136.947 14.9146 0.953906 51.1914 -198.94 -200.043 -22.8346 -153.674 45.1513 PRESSAVG: 1140400 -64.643 -28.5137 -47.6946 -28.5138 19.113 33.9579 -47.6946 33.9578 43.4675 GPRESSAVG: 1140400 -63.4116 -28.9615 -50.7906 -28.8195 17.6727 34.4775 -46.4097 35.267 42.9181 TIMING: 1140400 CPU: 3384.94, 0.0030898/step Wall: 3384.94, 0.0030898/step, 3.31261 hours remaining, 206.640625 MB of memory in use. ENERGY: 1140400 774.5425 2078.5188 1933.5935 103.9622 -206098.4954 17489.3623 0.0000 0.0000 34284.8557 -149433.6604 299.4182 -183718.5161 -149341.4072 299.0743 -126.3055 -96.9121 556382.6193 -0.6875 -0.9403 PRESSURE: 1140600 84.4738 -87.729 -115.223 -87.7293 113.234 -9.10448 -115.223 -9.10348 180.238 GPRESSURE: 1140600 130.593 -64.9309 -176.512 45.175 136.103 66.2293 -114 -59.2013 210.259 PRESSAVG: 1140600 14.2276 14.9149 -34.4177 14.9147 -63.6283 28.9414 -34.4178 28.9413 27.3572 GPRESSAVG: 1140600 12.9259 14.5592 -32.1698 14.3899 -62.4869 27.8537 -35.8474 28.5715 27.2998 TIMING: 1140600 CPU: 3385.54, 0.0029932/step Wall: 3385.54, 0.0029932/step, 3.20888 hours remaining, 206.839844 MB of memory in use. ENERGY: 1140600 720.5601 2105.1328 1941.7120 109.6655 -206458.4147 18078.1382 0.0000 0.0000 34029.4330 -149473.7730 297.1875 -183503.2060 -149378.7860 298.6910 125.9820 158.9851 556211.1305 -7.3479 -7.4204 PRESSURE: 1140800 348.526 91.1902 133.013 91.1906 170.083 -23.6827 133.012 -23.681 432.837 GPRESSURE: 1140800 369.711 60.2658 143.345 98.7588 207.656 20.6586 94.233 -31.0911 476.733 PRESSAVG: 1140800 9.89835 27.1583 22.1012 27.1583 -18.6156 33.6827 22.1012 33.6827 39.0479 GPRESSAVG: 1140800 9.59099 28.2856 23.5361 25.8466 -18.8635 36.2433 21.9341 32.3125 39.5875 TIMING: 1140800 CPU: 3386.14, 0.00297762/step Wall: 3386.14, 0.00297762/step, 3.192 hours remaining, 206.839844 MB of memory in use. ENERGY: 1140800 691.3818 2064.5925 1980.0617 122.5778 -206848.3564 18224.4451 0.0000 0.0000 34252.6437 -149512.6538 299.1369 -183765.2975 -149428.2973 298.2727 317.1486 351.3668 555297.9729 10.1102 10.1050 PRESSURE: 1141000 -155.107 -97.52 -121.676 -97.5197 0.00225944 65.5122 -121.676 65.5138 28.6217 GPRESSURE: 1141000 -123.499 -10.3142 -83.5675 -80.1575 44.2794 -3.2258 -131.003 18.4376 52.8401 PRESSAVG: 1141000 -7.11437 -29.5105 57.2746 -29.5105 -35.2393 8.14086 57.2746 8.14089 65.3871 GPRESSAVG: 1141000 -5.03629 -32.8007 55.4209 -27.0075 -36.9172 6.52483 58.9669 9.19956 65.4504 TIMING: 1141000 CPU: 3386.73, 0.00298516/step Wall: 3386.73, 0.00298516/step, 3.19992 hours remaining, 206.839844 MB of memory in use. ENERGY: 1141000 756.7411 2075.6321 1978.6172 112.4983 -206145.9477 17794.2936 0.0000 0.0000 33771.8485 -149656.3170 294.9380 -183428.1655 -149563.8493 297.6519 -42.1610 -8.7931 557850.5585 7.6778 7.8323 PRESSURE: 1141200 -140.092 -150.898 -74.4325 -150.899 -145.442 -109.79 -74.434 -109.79 -230.223 GPRESSURE: 1141200 -111.931 -98.8907 -131.758 -249.506 -113.083 -45.1555 -55.5555 -135.964 -194.408 PRESSAVG: 1141200 2.49896 -41.1329 -45.1543 -41.1329 27.1451 33.0325 -45.1543 33.0324 -30.476 GPRESSAVG: 1141200 0.138902 -35.9514 -44.5978 -44.852 29.2422 34.322 -46.9484 34.8418 -31.0115 TIMING: 1141200 CPU: 3387.34, 0.00301402/step Wall: 3387.34, 0.00301402/step, 3.23069 hours remaining, 206.839844 MB of memory in use. ENERGY: 1141200 715.5955 2082.2389 1923.2087 106.2366 -206242.5706 17632.6802 0.0000 0.0000 34252.8238 -149529.7869 299.1384 -183782.6107 -149425.6660 298.0865 -171.9189 -139.8071 557831.8019 -0.2773 -0.5435 PRESSURE: 1141400 -318.612 -115.611 40.2473 -115.61 -219.677 -178.23 40.2484 -178.229 -531.879 GPRESSURE: 1141400 -245.32 -87.5988 26.48 -126.886 -212.771 -176.941 13.7791 -129.415 -512.057 PRESSAVG: 1141400 -12.5909 -71.068 -64.1985 -71.068 33.9744 -42.6472 -64.1986 -42.6472 -32.7264 GPRESSAVG: 1141400 -10.4954 -74.2242 -65.3041 -66.6902 32.56 -41.6132 -64.2107 -44.9348 -32.9953 TIMING: 1141400 CPU: 3387.93, 0.00298082/step Wall: 3387.93, 0.00298082/step, 3.19494 hours remaining, 206.839844 MB of memory in use. ENERGY: 1141400 760.1714 2088.5009 1933.5600 108.1913 -205778.2889 17446.7205 0.0000 0.0000 33997.4315 -149443.7133 296.9080 -183441.1448 -149341.6676 297.9344 -356.7227 -323.3824 559324.9659 -3.7809 -3.6435 PRESSURE: 1141600 30.3263 21.1846 -10.6849 21.1838 61.1795 26.8985 -10.6861 26.8978 11.6095 GPRESSURE: 1141600 131.907 -57.5816 116.441 29.9317 54.2867 39.3477 -84.7627 125.975 10.3568 PRESSAVG: 1141600 -18.9209 -19.1836 -41.6088 -19.1837 18.391 -36.0059 -41.6087 -36.0058 -9.66611 GPRESSAVG: 1141600 -20.1482 -18.5274 -39.6331 -21.2471 18.3191 -36.8799 -41.7587 -35.789 -8.21757 TIMING: 1141600 CPU: 3388.53, 0.0029983/step Wall: 3388.53, 0.0029983/step, 3.21352 hours remaining, 206.839844 MB of memory in use. ENERGY: 1141600 743.3672 2092.8567 1920.3457 101.9684 -206224.9786 17938.5980 0.0000 0.0000 34101.9864 -149325.8561 297.8211 -183427.8426 -149229.6014 298.2328 34.3718 65.5168 557662.7784 -3.3987 -3.3489 PRESSURE: 1141800 -160.551 -49.6505 66.3558 -49.6501 -40.3654 -116.101 66.3561 -116.1 -6.49369 GPRESSURE: 1141800 -68.6129 -11.3423 98.3228 8.70432 -15.3358 -146.274 20.5482 -36.6473 -28.8373 PRESSAVG: 1141800 -27.543 -8.67494 -45.7435 -8.67496 -6.90879 6.59087 -45.7436 6.59093 34.6949 GPRESSAVG: 1141800 -27.3314 -8.80246 -46.7479 -9.45896 -6.30134 5.30539 -45.5853 6.49591 33.9048 TIMING: 1141800 CPU: 3389.14, 0.00302049/step Wall: 3389.14, 0.00302049/step, 3.23712 hours remaining, 206.839844 MB of memory in use. ENERGY: 1141800 710.5917 2097.4089 1941.7754 111.3866 -205765.1433 17581.3562 0.0000 0.0000 33983.3706 -149339.2540 296.7852 -183322.6245 -149246.3759 298.6063 -69.1367 -37.5953 559511.3305 0.0810 0.0907 PRESSURE: 1142000 -1.163 5.44902 82.4001 5.4492 41.7616 -17.312 82.3994 -17.3137 182.447 GPRESSURE: 1142000 7.72983 -27.0486 120.923 -55.245 103.432 -5.03295 121.234 25.4368 221.482 PRESSAVG: 1142000 22.5495 6.25824 -0.80139 6.25822 -76.8591 6.39415 -0.801403 6.39431 29.9117 GPRESSAVG: 1142000 23.3557 4.33432 -0.777975 8.86267 -78.0146 8.83927 0.675066 5.59175 30.629 TIMING: 1142000 CPU: 3389.74, 0.00300929/step Wall: 3389.74, 0.00300929/step, 3.22495 hours remaining, 206.839844 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: 1142000 732.1948 2129.3053 1941.2105 104.3915 -206556.8201 18066.1685 0.0000 0.0000 34196.4731 -149387.0766 298.6463 -183583.5496 -149292.0088 298.5947 74.3486 110.8815 557528.3065 -8.1326 -8.0100 PRESSURE: 1142200 -58.8435 -120.499 -30.9552 -120.499 104.785 50.8201 -30.9547 50.8201 0.401402 GPRESSURE: 1142200 -26.4606 -113.528 -16.9288 -93.2841 120.538 72.9429 1.25434 53.4752 36.0858 PRESSAVG: 1142200 -2.65395 -43.9367 -29.8417 -43.9367 16.334 20.3319 -29.8417 20.3319 17.45 GPRESSAVG: 1142200 -3.65678 -40.6207 -30.8759 -48.0555 16.9096 19.0525 -31.2299 20.1941 17.8411 TIMING: 1142200 CPU: 3390.34, 0.0029878/step Wall: 3390.34, 0.0029878/step, 3.20176 hours remaining, 206.839844 MB of memory in use. ENERGY: 1142200 758.7585 2054.2418 1949.0261 106.5759 -206299.4833 17950.1726 0.0000 0.0000 34263.2428 -149217.4656 299.2294 -183480.7083 -149118.5768 299.7662 15.4475 43.3878 556945.6002 10.3767 10.3647 PRESSURE: 1142400 -163.355 -10.3245 36.9368 -10.3248 46.5499 54.2553 36.9362 54.2559 93.3925 GPRESSURE: 1142400 -140.773 -32.7805 12.6649 35.3426 44.0872 -118.294 81.9992 108.598 170.777 PRESSAVG: 1142400 14.6931 -7.78346 -1.51611 -7.78349 -25.4559 -1.64455 -1.51607 -1.64451 41.9081 GPRESSAVG: 1142400 14.1653 -9.94895 -1.64231 -5.96824 -23.4174 -5.18321 -0.222843 1.04082 40.5917 TIMING: 1142400 CPU: 3390.93, 0.00297746/step Wall: 3390.93, 0.00297746/step, 3.19051 hours remaining, 206.839844 MB of memory in use. ENERGY: 1142400 762.3532 2063.9715 1921.5055 89.4679 -206169.8732 17807.2284 0.0000 0.0000 34276.8190 -149248.5277 299.3480 -183525.3467 -149147.3135 298.8319 -7.8040 24.6968 557561.3242 10.3818 10.4465 PRESSURE: 1142600 -385.346 -8.42578 -94.9916 -8.42579 -3.14324 -215.478 -94.9921 -215.479 -352.982 GPRESSURE: 1142600 -353.309 -54.2814 -95.3688 -16.2634 5.8241 -180.881 -148.329 -168.497 -312.608 PRESSAVG: 1142600 -16.6063 -59.846 -12.7666 -59.8461 28.4433 -56.6485 -12.7666 -56.6486 -26.3079 GPRESSAVG: 1142600 -14.6551 -60.2595 -11.0601 -58.0341 25.2 -53.6013 -13.2904 -58.6215 -25.4144 TIMING: 1142600 CPU: 3391.53, 0.00300798/step Wall: 3391.53, 0.00300798/step, 3.22305 hours remaining, 206.839844 MB of memory in use. ENERGY: 1142600 759.1335 2085.7685 1952.3715 113.6588 -205755.5396 17260.5810 0.0000 0.0000 34372.6437 -149211.3828 300.1848 -183584.0265 -149116.2512 299.4295 -247.1571 -220.0312 556868.2504 -4.8236 -4.9565 PRESSURE: 1142800 91.8298 -136.4 -255.816 -136.401 60.0895 96.8562 -255.816 96.8566 -36.038 GPRESSURE: 1142800 85.9449 -57.0521 -230.467 -142.712 139.487 26.0891 -248.01 142.071 -28.6619 PRESSAVG: 1142800 20.8125 -11.118 -64.2848 -11.118 -67.8763 -44.9853 -64.2849 -44.9852 29.0891 GPRESSAVG: 1142800 19.6645 -10.3072 -65.5774 -12.6884 -66.1202 -46.501 -64.1838 -43.1023 28.0949 TIMING: 1142800 CPU: 3392.13, 0.00299606/step Wall: 3392.13, 0.00299606/step, 3.21011 hours remaining, 206.839844 MB of memory in use. ENERGY: 1142800 737.7527 2037.9495 1932.9856 119.9898 -205808.7527 17715.6267 0.0000 0.0000 34023.7292 -149240.7192 297.1377 -183264.4484 -149140.8320 299.2940 38.6271 65.5900 557054.3467 -5.9916 -6.1203 PRESSURE: 1143000 -194.223 -189.378 -6.7533 -189.378 182.519 -191.011 -6.75357 -191.012 94.4768 GPRESSURE: 1143000 -141.927 -161.378 -70.2339 -152.364 201.503 -114.256 4.18005 -245.998 116.04 PRESSAVG: 1143000 -20.5847 -88.118 -54.294 -88.1179 12.8177 -45.6703 -54.2938 -45.6703 2.79974 GPRESSAVG: 1143000 -21.0917 -88.6946 -52.0459 -87.5506 13.9771 -43.4564 -55.1308 -46.6242 2.02758 TIMING: 1143000 CPU: 3392.73, 0.00298101/step Wall: 3392.73, 0.00298101/step, 3.19382 hours remaining, 206.839844 MB of memory in use. ENERGY: 1143000 734.1675 2091.9648 1934.8655 101.3380 -206449.4638 17833.5613 0.0000 0.0000 34428.3031 -149325.2637 300.6709 -183753.5668 -149232.7315 299.0869 27.5909 58.5387 556566.3394 -1.6558 -1.6956 PRESSURE: 1143200 -70.7733 193.247 -18.5675 193.248 -253.449 9.67737 -18.5669 9.67745 152.113 GPRESSURE: 1143200 -34.3356 125.614 -70.299 142.307 -204.486 120.808 6.7153 -23.355 176.034 PRESSAVG: 1143200 -40.5814 -22.4571 -8.35712 -22.4571 -12.9077 -82.1252 -8.35716 -82.1252 18.2848 GPRESSAVG: 1143200 -40.7549 -22.4078 -10.1342 -23.3711 -13.1549 -84.5766 -7.99467 -80.9447 17.818 TIMING: 1143200 CPU: 3393.32, 0.0029704/step Wall: 3393.32, 0.0029704/step, 3.18229 hours remaining, 206.839844 MB of memory in use. ENERGY: 1143200 735.9355 2108.2739 1935.8162 111.6115 -206442.7879 17835.0107 0.0000 0.0000 34274.5708 -149441.5692 299.3284 -183716.1400 -149347.1526 298.8856 -57.3697 -20.9292 558124.4965 -11.7348 -12.0306 PRESSURE: 1143400 166.65 4.59825 -114.49 4.59946 229.565 77.2636 -114.489 77.2638 217.143 GPRESSURE: 1143400 236.329 -10.0574 -79.9648 -3.69595 253.639 35.4022 -96.6248 5.62443 227.031 PRESSAVG: 1143400 14.2245 -2.48364 -17.1479 -2.48362 -35.9156 -51.9693 -17.1479 -51.9693 23.9588 GPRESSAVG: 1143400 14.6856 -2.053 -14.5896 -1.44004 -36.6802 -50.0824 -14.4031 -54.2518 24.1508 TIMING: 1143400 CPU: 3393.92, 0.0029798/step Wall: 3393.92, 0.0029798/step, 3.1922 hours remaining, 206.839844 MB of memory in use. ENERGY: 1143400 729.4592 2034.5964 1927.0518 120.7989 -206501.5799 18156.2325 0.0000 0.0000 34002.4817 -149530.9595 296.9521 -183533.4412 -149437.6327 298.3715 204.4527 238.9996 557761.9872 0.7559 0.7187 PRESSURE: 1143600 -14.1905 15.1678 245.823 15.1677 -121.422 71.5591 245.821 71.5594 166.998 GPRESSURE: 1143600 14.5205 -10.7832 180.67 33.4815 -56.9944 37.5502 274.904 69.9262 173.367 PRESSAVG: 1143600 -20.7491 44.7946 71.778 44.7945 31.9057 10.1019 71.778 10.1018 -23.7134 GPRESSAVG: 1143600 -20.8045 44.9625 72.0579 44.2825 31.562 9.87906 68.175 11.2471 -22.838 TIMING: 1143600 CPU: 3394.52, 0.00301611/step Wall: 3394.52, 0.00301611/step, 3.23093 hours remaining, 206.839844 MB of memory in use. ENERGY: 1143600 782.3627 2084.5043 1940.7458 102.8316 -206847.5744 18128.5619 0.0000 0.0000 34175.0453 -149633.5227 298.4592 -183808.5681 -149530.3176 298.5836 10.4620 43.6311 557309.0721 -4.1856 -4.0268 PRESSURE: 1143800 30.8976 162.257 73.6845 162.257 -7.59906 -13.4909 73.6836 -13.4907 -52.5851 GPRESSURE: 1143800 57.581 188.784 86.7982 79.2663 20.4901 -16.5825 -28.9257 -3.42363 -22.975 PRESSAVG: 1143800 4.42222 -8.83463 93.9586 -8.83471 30.318 -9.35976 93.9586 -9.35968 23.9569 GPRESSAVG: 1143800 5.35554 -7.61526 92.1982 -9.32233 29.9167 -11.1092 94.506 -8.72506 22.575 TIMING: 1143800 CPU: 3395.12, 0.00298704/step Wall: 3395.12, 0.00298704/step, 3.19962 hours remaining, 206.839844 MB of memory in use. ENERGY: 1143800 727.8855 2049.5881 1956.8685 116.6115 -206846.3158 18056.1480 0.0000 0.0000 34127.2393 -149811.9748 298.0417 -183939.2142 -149705.5720 297.9233 -9.7622 18.3653 556869.9605 19.5657 19.2824 PRESSURE: 1144000 -105.049 28.5928 -84.357 28.593 -93.0348 117.902 -84.3557 117.903 -155.518 GPRESSURE: 1144000 -63.862 9.37553 -107.94 99.4663 -110.907 65.904 -129.269 152.253 -87.5795 PRESSAVG: 1144000 20.6322 -4.42941 -4.81744 -4.42949 -15.2622 1.39641 -4.8174 1.3966 1.1596 GPRESSAVG: 1144000 20.0073 -7.22194 -5.45778 -1.84745 -14.6009 2.0471 -5.07752 -1.49055 1.79391 TIMING: 1144000 CPU: 3395.73, 0.00303532/step Wall: 3395.73, 0.00303532/step, 3.25116 hours remaining, 206.839844 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: 1144000 708.2836 2086.1180 1955.8554 104.0875 -205930.2321 17385.0873 0.0000 0.0000 33988.7114 -149702.0888 296.8319 -183690.8003 -149601.4145 297.5020 -117.8671 -87.4493 557142.3260 2.1765 2.4001 PRESSURE: 1144200 123.651 -1.93175 83.562 -1.93165 -58.3316 -107.905 83.5614 -107.904 4.60497 GPRESSURE: 1144200 200.854 -85.0004 114.63 -32.9615 -16.3623 -175.69 -22.0436 -61.41 -17.4346 PRESSAVG: 1144200 -2.5742 30.912 -26.9155 30.9121 10.7232 32.6204 -26.9156 32.6204 -7.11532 GPRESSAVG: 1144200 -2.06293 31.5613 -26.2054 28.6547 11.2033 34.0243 -27.5167 33.1796 -7.82304 TIMING: 1144200 CPU: 3396.33, 0.00302711/step Wall: 3396.33, 0.00302711/step, 3.24221 hours remaining, 206.839844 MB of memory in use. ENERGY: 1144200 713.9753 2146.4785 1927.1903 114.9073 -206558.8296 17905.5532 0.0000 0.0000 34095.2537 -149655.4713 297.7623 -183750.7250 -149556.3964 297.8499 23.3081 55.6856 557037.4412 0.3445 0.4391 LDB: ============= START OF LOAD BALANCING ============== 3399.76 LDB: ============== END OF LOAD BALANCING =============== 3399.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3399.76 LDB: ============= START OF LOAD BALANCING ============== 3400.06 LDB: Largest compute 4847 load 0.031122 is 26.4% of average load 0.117916 LDB: Average compute 0.001729 is 1.5% of average load 0.117916 LDB: TIME 3400.07 LOAD: AVG 0.117916 MAX 0.19505 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.75 MB LDB: TIME 3400.07 LOAD: AVG 0.117916 MAX 0.19505 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.75 MB LDB: TIME 3400.07 LOAD: AVG 0.117916 MAX 0.19505 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.75 MB LDB: ============== END OF LOAD BALANCING =============== 3400.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3400.07 PRESSURE: 1144400 213.657 -98.6167 -107.85 -98.6168 68.0603 162.657 -107.85 162.658 -74.6449 GPRESSURE: 1144400 234.185 -52.328 -113.635 -59.7779 90.3019 134.305 -50.4518 94.764 -18.7377 PRESSAVG: 1144400 14.43 -0.91879 10.0411 -0.918752 -5.83601 52.7988 10.041 52.7987 -25.3798 GPRESSAVG: 1144400 14.717 -0.331884 10.499 1.20912 -7.18135 50.5494 10.9255 54.1879 -24.0526 TIMING: 1144400 CPU: 3396.94, 0.00306057/step Wall: 3396.94, 0.00306057/step, 3.27787 hours remaining, 205.937500 MB of memory in use. ENERGY: 1144400 726.2505 2121.8414 1943.0964 108.7887 -206681.9821 18126.7770 0.0000 0.0000 34096.6343 -149558.5937 297.7744 -183655.2281 -149454.8196 298.3820 69.0242 101.9165 557902.3335 -5.5953 -5.5056 PRESSURE: 1144600 -97.346 78.0991 -19.2871 78.0996 -270.508 -51.639 -19.2875 -51.6384 -34.8996 GPRESSURE: 1144600 -111.008 139.291 7.90377 125.606 -242.66 -17.9271 -44.7737 -43.5766 45.6151 PRESSAVG: 1144600 -47.6577 28.1704 9.4307 28.1703 -27.5803 31.6913 9.4307 31.6913 101.452 GPRESSAVG: 1144600 -47.844 28.8132 8.94752 26.9942 -26.3647 33.8878 7.81986 30.6429 100.842 TIMING: 1144600 CPU: 3397.55, 0.00301683/step Wall: 3397.55, 0.00301683/step, 3.23086 hours remaining, 206.140625 MB of memory in use. ENERGY: 1144600 739.4339 2128.6982 1944.9782 113.7724 -206396.9932 17633.7820 0.0000 0.0000 34102.6043 -149733.7242 297.8265 -183836.3286 -149636.4671 297.9037 -134.2512 -102.6841 559123.6664 8.7379 8.8777 PRESSURE: 1144800 182.623 -21.4459 -15.9031 -21.4458 -119.186 -16.2344 -15.9042 -16.2344 -0.891582 GPRESSURE: 1144800 262.536 18.1694 -71.0661 6.69594 -112.422 4.88515 -14.5764 40.1771 2.18374 PRESSAVG: 1144800 -13.4862 6.67519 30.5998 6.67528 -43.9062 19.8868 30.5997 19.8867 54.2616 GPRESSAVG: 1144800 -12.2984 7.18223 29.9501 5.12437 -43.8609 21.5735 32.1997 21.1389 52.6419 TIMING: 1144800 CPU: 3398.16, 0.00304556/step Wall: 3398.16, 0.00304556/step, 3.26146 hours remaining, 206.140625 MB of memory in use. ENERGY: 1144800 744.4327 2096.2072 1957.6799 111.8799 -207139.1012 18225.6184 0.0000 0.0000 34107.2291 -149896.0541 297.8669 -184003.2832 -149798.4003 297.4031 20.8485 50.7660 557447.6160 -1.0436 -1.1725 PRESSURE: 1145000 -17.9757 6.24554 30.034 6.24532 -35.8301 40.9123 30.0332 40.9124 -489.88 GPRESSURE: 1145000 72.5851 22.1909 129.404 -110.122 -74.9426 -1.70118 -70.3822 -17.2439 -455.145 PRESSAVG: 1145000 2.39589 -42.3592 -27.4563 -42.3592 8.52898 22.404 -27.4563 22.404 24.8566 GPRESSAVG: 1145000 2.21666 -42.0671 -26.2017 -40.6944 7.50799 19.0258 -28.5455 22.5651 26.0748 TIMING: 1145000 CPU: 3398.77, 0.00304665/step Wall: 3398.77, 0.00304665/step, 3.26246 hours remaining, 206.140625 MB of memory in use. ENERGY: 1145000 754.0677 2128.7824 1948.5499 108.8149 -206605.4506 17846.9218 0.0000 0.0000 33950.1237 -149868.1902 296.4949 -183818.3139 -149775.2709 297.1631 -181.2286 -152.5008 560607.7759 11.9272 11.9331 PRESSURE: 1145200 -78.2111 -52.3876 36.2869 -52.3868 -99.1231 103.936 36.2863 103.939 50.8213 GPRESSURE: 1145200 -69.798 51.3679 -20.0158 -124.684 -24.3239 129.617 4.03152 88.1101 73.7342 PRESSAVG: 1145200 -19.8886 -12.423 52.2043 -12.4231 43.2129 52.1517 52.2044 52.1516 4.49064 GPRESSAVG: 1145200 -19.7405 -12.2906 51.1183 -14.7405 44.8732 52.8057 53.6691 51.35 2.49571 TIMING: 1145200 CPU: 3399.37, 0.00301519/step Wall: 3399.37, 0.00301519/step, 3.2286 hours remaining, 206.140625 MB of memory in use. ENERGY: 1145200 743.5087 2077.0628 1930.4589 106.8486 -206648.7043 17956.0812 0.0000 0.0000 33945.4813 -149889.2629 296.4543 -183834.7442 -149800.6314 296.8221 -42.1710 -6.7959 558425.6820 9.2716 9.2095 PRESSURE: 1145400 127.82 -0.617403 26.2223 -0.617386 -81.8855 -131.021 26.2235 -131.021 12.7668 GPRESSURE: 1145400 155.61 127.332 39.1247 19.0345 -25.7806 -78.5833 17.5532 -138.386 25.4209 PRESSAVG: 1145400 32.5881 43.7991 34.8991 43.799 -32.5653 17.3638 34.8991 17.3637 -2.59162 GPRESSAVG: 1145400 31.4449 45.2134 35.505 44.4251 -33.6225 19.5838 32.3274 15.8593 -0.283502 TIMING: 1145400 CPU: 3399.97, 0.00303177/step Wall: 3399.97, 0.00303177/step, 3.24618 hours remaining, 206.140625 MB of memory in use. ENERGY: 1145400 727.0358 2089.2437 1940.5936 109.9878 -206889.7504 18218.9490 0.0000 0.0000 33789.0804 -150014.8602 295.0884 -183803.9406 -149920.9005 296.5103 19.5672 51.7501 558507.2768 -0.8563 -0.8204 PRESSURE: 1145600 -45.195 35.8351 42.0411 35.8357 -378.325 33.5018 42.0418 33.5034 -122.401 GPRESSURE: 1145600 -23.9877 15.1172 15.6751 119.445 -311.578 -41.0109 48.0274 53.1246 -108.897 PRESSAVG: 1145600 -11.9048 37.4153 6.02865 37.4152 -49.7276 17.2556 6.02869 17.2556 42.5212 GPRESSAVG: 1145600 -11.2463 37.5332 7.94468 36.9179 -50.1759 15.6749 5.10145 17.9646 42.2179 TIMING: 1145600 CPU: 3400.58, 0.00301841/step Wall: 3400.58, 0.00301841/step, 3.23171 hours remaining, 206.140625 MB of memory in use. ENERGY: 1145600 767.3231 2073.0914 1929.8762 118.4661 -206851.7396 17946.2799 0.0000 0.0000 33969.8307 -150046.8722 296.6670 -184016.7029 -149956.9018 296.8187 -181.9737 -148.1543 559235.9220 -6.3704 -6.4015 PRESSURE: 1145800 -159.897 61.4524 -177.086 61.4517 99.9642 -92.7003 -177.086 -92.701 48.329 GPRESSURE: 1145800 -126.004 -10.5346 -175.848 90.0917 142.497 -76.972 -191.886 -70.1475 73.4227 PRESSAVG: 1145800 38.3575 -17.8635 -14.6929 -17.8635 -58.2052 -13.6221 -14.6929 -13.622 37.3269 GPRESSAVG: 1145800 38.2473 -20.5844 -16.2869 -16.051 -58.3113 -13.3797 -11.4926 -13.2951 37.5735 TIMING: 1145800 CPU: 3401.19, 0.00303768/step Wall: 3401.19, 0.00303768/step, 3.25218 hours remaining, 206.140625 MB of memory in use. ENERGY: 1145800 737.8045 2078.9963 1948.9164 97.0728 -206960.5069 18056.1294 0.0000 0.0000 33950.2910 -150091.2965 296.4963 -184041.5875 -149998.4794 296.3981 -3.8678 29.9721 558815.0153 5.8264 5.8365 PRESSURE: 1146000 -63.3399 -89.1771 -30.8904 -89.177 -114.37 8.8753 -30.8905 8.87638 -100.568 GPRESSURE: 1146000 -32.0023 -106.187 -19.728 -43.993 -104.044 -9.66104 -25.335 52.6015 -53.9645 PRESSAVG: 1146000 71.4167 -56.2047 25.3882 -56.2047 -46.6233 37.8875 25.3883 37.8874 -22.7665 GPRESSAVG: 1146000 71.2202 -56.3798 27.1407 -58.5903 -46.952 34.136 23.4348 39.0546 -22.3165 TIMING: 1146000 CPU: 3401.79, 0.00301695/step Wall: 3401.79, 0.00301695/step, 3.22981 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: 1146000 751.2880 2086.7320 1929.4540 109.7165 -206697.5569 17799.4815 0.0000 0.0000 34039.0549 -149981.8299 297.2715 -184020.8849 -149884.6328 296.7334 -92.7593 -63.3368 557148.9812 0.6756 0.6506 PRESSURE: 1146200 -104.742 -133.743 -77.1711 -133.745 -101.071 163.848 -77.1707 163.848 66.2505 GPRESSURE: 1146200 -14.07 -68.2455 38.6626 -175.467 -79.3818 171.204 -130 165.337 64.0783 PRESSAVG: 1146200 66.6362 -58.5329 29.5712 -58.533 -15.0589 7.94771 29.5711 7.94763 -64.0066 GPRESSAVG: 1146200 67.1145 -58.6458 28.3046 -57.3002 -13.9455 10.2199 30.6722 7.56077 -65.27 TIMING: 1146200 CPU: 3402.39, 0.00299945/step Wall: 3402.39, 0.00299945/step, 3.21091 hours remaining, 206.140625 MB of memory in use. ENERGY: 1146200 753.6120 2082.0171 1951.0445 113.6518 -206621.8789 17849.6093 0.0000 0.0000 34149.3206 -149722.6236 298.2345 -183871.9442 -149617.2214 297.1677 -46.5207 -9.7912 557594.8455 -4.1431 -4.0337 PRESSURE: 1146400 149.765 -77.4876 -1.21857 -77.4869 163.19 -55.8052 -1.21812 -55.8066 245.657 GPRESSURE: 1146400 177.23 -107.863 -14.6294 -126.966 192.461 -48.0935 -90.5382 -67.6507 271.681 PRESSAVG: 1146400 -35.3206 -16.3797 -42.6173 -16.3796 7.00967 -7.16132 -42.6172 -7.16128 8.23304 GPRESSAVG: 1146400 -36.1137 -16.5246 -42.9522 -17.3312 6.84096 -8.07764 -41.2823 -7.23986 9.0059 TIMING: 1146400 CPU: 3402.99, 0.00298608/step Wall: 3402.99, 0.00298608/step, 3.19644 hours remaining, 206.398438 MB of memory in use. ENERGY: 1146400 752.9523 2130.3473 1940.3752 124.6737 -206595.6930 18042.2599 0.0000 0.0000 34104.7750 -149500.3097 297.8455 -183605.0847 -149406.8594 298.2910 186.2040 213.7903 555175.5237 -6.6926 -6.7556 PRESSURE: 1146600 -75.4809 46.0832 -150.86 46.0838 -52.8126 201.19 -150.86 201.19 115.067 GPRESSURE: 1146600 34.3468 61.733 -93.3634 55.8703 -45.7269 157.204 -185.084 242.342 97.2646 PRESSAVG: 1146600 17.2463 13.2588 -19.2902 13.2587 1.80902 8.21503 -19.2902 8.21501 3.6231 GPRESSAVG: 1146600 17.8445 12.5603 -17.9654 16.2014 1.30397 7.36809 -20.4488 8.88237 3.70567 TIMING: 1146600 CPU: 3403.59, 0.00300592/step Wall: 3403.59, 0.00300592/step, 3.2175 hours remaining, 206.398438 MB of memory in use. ENERGY: 1146600 704.7560 2110.0591 1948.0274 129.7553 -206091.7688 17744.2442 0.0000 0.0000 34179.0669 -149275.8600 298.4943 -183454.9269 -149176.5571 298.3971 -4.4087 28.6282 558540.0491 7.5595 7.6181 PRESSURE: 1146800 253.151 -20.6968 70.9796 -20.695 75.744 194.772 70.9801 194.772 -57.3088 GPRESSURE: 1146800 307.239 -39.4612 23.7725 59.5582 30.5393 263.358 111.932 145.917 32.8038 PRESSAVG: 1146800 -43.5809 -14.9293 -13.1187 -14.9292 -27.9125 15.4467 -13.1187 15.4468 51.1749 GPRESSAVG: 1146800 -44.2139 -13.9508 -13.6857 -16.2686 -26.9828 16.9916 -12.7971 13.7243 50.6842 TIMING: 1146800 CPU: 3404.19, 0.00302686/step Wall: 3404.19, 0.00302686/step, 3.23975 hours remaining, 206.398438 MB of memory in use. ENERGY: 1146800 754.6504 2070.3073 1947.5597 112.6196 -206349.7049 18050.4617 0.0000 0.0000 34108.2573 -149305.8489 297.8759 -183414.1062 -149215.4186 298.9795 90.5289 123.5274 558081.7245 -6.7728 -6.8375 PRESSURE: 1147000 -284.671 30.576 -27.9082 30.576 -397.722 -73.8297 -27.908 -73.8302 16.4698 GPRESSURE: 1147000 -234.277 15.5887 29.5357 14.8822 -352.262 -44.651 -40.4383 -104.941 13.613 PRESSAVG: 1147000 3.29105 -53.6476 33.022 -53.6476 -18.4024 50.1244 33.0221 50.1244 -2.97099 GPRESSAVG: 1147000 3.43082 -52.8309 31.9454 -54.2683 -19.045 51.5999 32.29 50.8353 -2.90718 TIMING: 1147000 CPU: 3404.8, 0.00304736/step Wall: 3404.8, 0.00304736/step, 3.26152 hours remaining, 206.398438 MB of memory in use. ENERGY: 1147000 709.6432 2113.1478 1934.1570 115.7767 -206057.9461 17659.6326 0.0000 0.0000 34320.6480 -149204.9407 299.7308 -183525.5887 -149111.7146 299.4033 -221.9743 -190.9754 559200.5468 -6.0275 -6.1738 PRESSURE: 1147200 -361.391 -6.87299 -43.4695 -6.87332 -304.686 2.64908 -43.4694 2.64828 105.935 GPRESSURE: 1147200 -302.921 -5.1162 -35.2765 70.0919 -245.674 43.8454 -27.976 109.932 92.2895 PRESSAVG: 1147200 4.78451 -36.8729 -6.33669 -36.8729 -5.48893 -21.6878 -6.33662 -21.6878 -15.3623 GPRESSAVG: 1147200 5.01505 -36.3984 -6.00401 -37.7184 -4.40158 -21.3175 -5.55013 -23.1507 -16.5565 TIMING: 1147200 CPU: 3405.41, 0.00302854/step Wall: 3405.41, 0.00302854/step, 3.24121 hours remaining, 206.398438 MB of memory in use. ENERGY: 1147200 751.0560 2084.8641 1958.5067 105.2840 -206181.6290 17655.2720 0.0000 0.0000 34379.7719 -149246.8743 300.2471 -183626.6461 -149162.1303 298.9382 -186.7140 -152.1016 558123.4822 -5.3556 -5.3143 PRESSURE: 1147400 -376.647 -19.7413 66.5686 -19.7395 -53.2504 -67.3527 66.5682 -67.3523 -165.028 GPRESSURE: 1147400 -306.827 66.3252 143.899 6.30542 -71.0919 -45.5118 74.1228 -28.3208 -124.029 PRESSAVG: 1147400 -56.338 0.308209 27.0343 0.308143 40.2988 -48.5074 27.0342 -48.5073 61.9973 GPRESSAVG: 1147400 -56.8384 -0.513518 28.2002 1.46593 37.993 -50.1619 24.8614 -46.4365 64.3433 TIMING: 1147400 CPU: 3406.01, 0.00302665/step Wall: 3406.01, 0.00302665/step, 3.23902 hours remaining, 206.398438 MB of memory in use. ENERGY: 1147400 736.6723 2081.6223 1953.0830 120.6380 -206208.6108 17627.6154 0.0000 0.0000 34155.4980 -149533.4818 298.2885 -183688.9798 -149435.5501 298.7714 -198.3084 -167.3160 557039.2900 15.3194 15.1660 PRESSURE: 1147600 -89.4905 113.03 40.3457 113.03 -100.86 -115.072 40.3466 -115.072 59.1314 GPRESSURE: 1147600 -71.5573 -0.684982 46.5815 166.517 -65.2439 -53.3913 33.8381 -97.2355 98.9858 PRESSAVG: 1147600 32.8668 24.6431 -21.8611 24.643 -20.947 -13.7596 -21.8611 -13.7596 12.9608 GPRESSAVG: 1147600 33.7524 24.2329 -23.5486 23.6066 -19.8307 -12.6817 -19.1364 -15.4562 10.9991 TIMING: 1147600 CPU: 3406.62, 0.00304327/step Wall: 3406.62, 0.00304327/step, 3.25664 hours remaining, 206.398438 MB of memory in use. ENERGY: 1147600 764.3968 2092.9738 1955.7632 116.4502 -206339.0906 17707.2088 0.0000 0.0000 34117.7561 -149584.5418 297.9588 -183702.2979 -149487.9824 298.5078 -43.7396 -12.6051 557556.7464 8.2935 8.3069 PRESSURE: 1147800 4.18712 -164.782 40.3491 -164.781 59.0214 -194.188 40.35 -194.188 -53.021 GPRESSURE: 1147800 59.8173 -122.612 45.2106 -207.777 57.8317 -172.177 24.1938 -173.917 -3.94969 PRESSAVG: 1147800 -65.6373 23.0817 -0.877352 23.0817 20.4149 -22.9447 -0.877383 -22.9447 13.1592 GPRESSAVG: 1147800 -66.3605 23.8354 0.50578 21.9176 20.3615 -22.6342 -2.75536 -19.6697 13.7903 TIMING: 1147800 CPU: 3407.22, 0.00299853/step Wall: 3407.22, 0.00299853/step, 3.20859 hours remaining, 206.398438 MB of memory in use. ENERGY: 1147800 740.7246 2103.3196 1920.8766 104.1524 -206658.2407 18009.1842 0.0000 0.0000 34413.4369 -149366.5465 300.5411 -183779.9834 -149268.5352 298.6199 3.3958 37.8998 557493.5360 -10.6878 -10.7362 PRESSURE: 1148000 105.296 38.5446 22.6263 38.5454 -215.562 131.236 22.6258 131.235 51.1463 GPRESSURE: 1148000 103.703 57.2347 -10.0657 0.956266 -166.038 118.066 27.8704 72.0042 83.9498 PRESSAVG: 1148000 13.2609 -26.4556 4.1887 -26.4557 -30.9742 24.7633 4.18872 24.7632 6.38914 GPRESSAVG: 1148000 13.9118 -27.0065 6.4814 -25.6013 -32.0183 23.3591 4.45805 23.9606 6.2323 TIMING: 1148000 CPU: 3407.82, 0.00297777/step Wall: 3407.82, 0.00297777/step, 3.18621 hours remaining, 206.398438 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: 1148000 739.7828 2127.0338 1944.0018 113.6366 -206394.8947 17818.7012 0.0000 0.0000 34196.4505 -149455.2879 298.6461 -183651.7385 -149355.8160 299.2221 -19.7065 7.2050 557523.6561 -3.7747 -3.9580 PRESSURE: 1148200 81.5199 94.8713 54.8547 94.8711 -24.1837 25.189 54.8533 25.1887 253.429 GPRESSURE: 1148200 137.32 130.829 42.9937 33.5292 -2.17133 38.3041 61.224 63.1055 277.409 PRESSAVG: 1148200 10.9286 -16.2464 78.2398 -16.2465 -8.78744 36.6933 78.2398 36.6933 16.9681 GPRESSAVG: 1148200 9.25563 -16.8155 75.4173 -16.0461 -7.06173 36.8209 79.6253 34.0551 17.2384 TIMING: 1148200 CPU: 3408.42, 0.00303645/step Wall: 3408.42, 0.00303645/step, 3.24884 hours remaining, 206.398438 MB of memory in use. ENERGY: 1148200 699.8438 2135.2771 1941.9128 121.6746 -206366.8780 17969.9166 0.0000 0.0000 34238.2808 -149259.9724 299.0114 -183498.2532 -149157.2549 299.0698 103.5885 137.5194 556832.3487 6.3698 6.4774 LDB: ============= START OF LOAD BALANCING ============== 3411.86 LDB: ============== END OF LOAD BALANCING =============== 3411.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3411.86 LDB: ============= START OF LOAD BALANCING ============== 3412.16 LDB: Largest compute 4821 load 0.030934 is 26.2% of average load 0.117997 LDB: Average compute 0.001712 is 1.5% of average load 0.117997 LDB: TIME 3412.17 LOAD: AVG 0.117997 MAX 0.19632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 3412.17 LOAD: AVG 0.117997 MAX 0.19632 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.426 MB LDB: TIME 3412.17 LOAD: AVG 0.117997 MAX 0.19632 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3412.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3412.17 PRESSURE: 1148400 -195.45 35.048 -11.5524 35.0485 -187.776 73.3439 -11.5533 73.3434 286.686 GPRESSURE: 1148400 -136.673 -56.2037 2.98057 42.9198 -155.44 128.664 -67.6802 85.0895 281.795 PRESSAVG: 1148400 1.00241 -22.1648 -27.5307 -22.1648 -27.9436 -15.4461 -27.5308 -15.4462 -1.01358 GPRESSAVG: 1148400 0.852481 -19.8641 -28.2134 -22.9895 -29.0053 -14.0983 -26.6581 -15.3888 -0.288221 TIMING: 1148400 CPU: 3409.04, 0.00309168/step Wall: 3409.04, 0.00309168/step, 3.30775 hours remaining, 206.964844 MB of memory in use. ENERGY: 1148400 780.2893 2061.2339 1974.1069 113.2223 -206225.5324 17835.1091 0.0000 0.0000 34111.1596 -149350.4113 297.9012 -183461.5709 -149256.9924 299.0649 -32.1798 -3.4397 557453.8619 -9.3182 -9.4803 PRESSURE: 1148600 -137.174 14.3302 92.3871 14.3304 58.4122 156.125 92.3874 156.126 147.486 GPRESSURE: 1148600 -121.893 -29.8261 86.3459 -4.65249 135.846 211.346 181.782 151.779 147.136 PRESSAVG: 1148600 -76.8886 9.4281 18.9557 9.42802 13.675 24.1866 18.9557 24.1866 39.03 GPRESSAVG: 1148600 -75.9275 7.95693 20.5686 10.8919 14.3852 22.7709 17.6123 26.521 37.954 TIMING: 1148600 CPU: 3409.65, 0.0030423/step Wall: 3409.65, 0.0030423/step, 3.25476 hours remaining, 206.964844 MB of memory in use. ENERGY: 1148600 751.6338 2089.0753 1950.9162 113.6734 -206097.3194 17754.1504 0.0000 0.0000 34097.4322 -149340.4381 297.7814 -183437.8703 -149241.7117 298.7418 22.9083 53.6961 556670.9301 -8.0612 -7.8628 PRESSURE: 1148800 227.169 83.3544 129.911 83.3546 -103.973 100.834 129.911 100.835 59.438 GPRESSURE: 1148800 234.69 79.0499 74.7562 -44.2556 -51.3036 123.002 210.002 68.3919 101.386 PRESSAVG: 1148800 -15.5794 32.4881 12.6973 32.4882 26.8019 41.2736 12.6973 41.2736 20.0626 GPRESSAVG: 1148800 -16.4851 31.0989 12.2808 31.4556 26.2403 42.7644 11.7281 39.7065 21.4531 TIMING: 1148800 CPU: 3410.25, 0.00301118/step Wall: 3410.25, 0.00301118/step, 3.22129 hours remaining, 206.964844 MB of memory in use. ENERGY: 1148800 752.4152 2059.4251 1960.2846 106.9207 -206655.5448 18010.9739 0.0000 0.0000 34357.5531 -149407.9723 300.0531 -183765.5254 -149312.6607 298.7315 60.8778 94.9242 557016.8715 10.4284 10.4027 PRESSURE: 1149000 -19.6057 17.8368 -51.1713 17.8363 74.8137 -2.10749 -51.171 -2.10747 42.4983 GPRESSURE: 1149000 11.0449 28.3148 -19.9453 -44.1048 110.684 23.4913 1.10481 -16.783 82.4912 PRESSAVG: 1149000 22.821 47.0539 -34.3469 47.054 -20.7693 17.1759 -34.3469 17.176 -10.1681 GPRESSAVG: 1149000 22.7881 49.8979 -33.9174 45.4074 -19.9267 16.3161 -33.9777 17.8623 -11.2078 TIMING: 1149000 CPU: 3410.86, 0.00304905/step Wall: 3410.86, 0.00304905/step, 3.26164 hours remaining, 206.964844 MB of memory in use. ENERGY: 1149000 765.7557 1978.3343 1925.5371 118.6853 -206218.9929 17905.4795 0.0000 0.0000 34199.5161 -149325.6849 298.6729 -183525.2010 -149229.3189 298.6642 32.5688 68.0735 557944.7045 -2.7055 -2.7822 PRESSURE: 1149200 -46.4829 -87.3061 24.8698 -87.3057 -38.4115 -62.2885 24.868 -62.2897 -277.815 GPRESSURE: 1149200 -70.5921 -182.797 53.4974 -55.606 -8.71657 -160.13 0.625559 -25.9148 -197.962 PRESSAVG: 1149200 11.0749 -35.8726 -33.4336 -35.8727 15.5789 15.9846 -33.4336 15.9848 -29.5181 GPRESSAVG: 1149200 10.9003 -37.3141 -32.7506 -34.5477 16.9689 16.6622 -34.6368 15.812 -30.7189 TIMING: 1149200 CPU: 3411.46, 0.00300765/step Wall: 3411.46, 0.00300765/step, 3.21718 hours remaining, 206.964844 MB of memory in use. ENERGY: 1149200 733.5929 2136.3753 1926.7477 123.0294 -206015.3913 17705.6325 0.0000 0.0000 34042.6192 -149347.3943 297.3027 -183390.0135 -149254.0065 299.0468 -120.9031 -92.4234 558657.6982 -0.9548 -0.9499 PRESSURE: 1149400 -114.99 -92.457 -60.6617 -92.4574 -41.0101 -13.3672 -60.6617 -13.3673 76.6235 GPRESSURE: 1149400 -106.453 -167.627 -87.6797 13.373 -0.181518 -9.42054 38.5485 100.876 107.93 PRESSAVG: 1149400 -2.38776 25.4911 -30.4147 25.4911 42.1135 -14.5269 -30.4147 -14.5268 -6.69163 GPRESSAVG: 1149400 -2.38093 25.8746 -32.4842 26.8496 41.8401 -15.679 -29.4567 -13.5054 -6.61279 TIMING: 1149400 CPU: 3412.07, 0.00302393/step Wall: 3412.07, 0.00302393/step, 3.23443 hours remaining, 206.964844 MB of memory in use. ENERGY: 1149400 708.5077 2072.2011 1934.8134 118.3173 -206087.3190 17903.3922 0.0000 0.0000 34068.3074 -149281.7799 297.5270 -183350.0872 -149187.3826 298.6628 -26.4588 0.4317 558646.9500 11.0114 10.9488 PRESSURE: 1149600 -132.95 -75.8751 -47.8101 -75.8742 26.9332 -84.2665 -47.8092 -84.2673 2.27028 GPRESSURE: 1149600 -106.594 -28.2426 -6.79913 -140.586 69.6552 -86.431 26.2169 -125.671 16.5991 PRESSAVG: 1149600 -12.078 34.911 -15.9451 34.911 18.3162 9.59274 -15.945 9.59272 13.2351 GPRESSAVG: 1149600 -11.5741 34.8328 -14.5927 33.2068 16.9903 8.98937 -14.0191 10.118 14.0053 TIMING: 1149600 CPU: 3412.67, 0.00302684/step Wall: 3412.67, 0.00302684/step, 3.23737 hours remaining, 206.964844 MB of memory in use. ENERGY: 1149600 726.4785 2033.1204 1934.3047 108.4348 -206081.2037 17740.9709 0.0000 0.0000 34249.1545 -149288.7399 299.1064 -183537.8944 -149192.2590 298.7284 -34.5823 -6.7799 557973.9416 6.4911 6.4739 PRESSURE: 1149800 -52.5603 20.0772 -61.8127 20.078 213.92 182.01 -61.8131 182.008 -26.5543 GPRESSURE: 1149800 42.7189 71.7962 -85.503 14.5316 208.246 137.926 -65.2896 172.774 -14.3348 PRESSAVG: 1149800 33.7098 -67.2187 -33.8508 -67.2186 -12.1974 -13.7414 -33.8508 -13.7415 21.2105 GPRESSAVG: 1149800 32.9534 -66.0887 -32.0291 -66.8384 -11.7032 -12.2825 -35.6862 -16.4598 21.2857 TIMING: 1149800 CPU: 3413.28, 0.00301064/step Wall: 3413.28, 0.00301064/step, 3.21988 hours remaining, 206.964844 MB of memory in use. ENERGY: 1149800 727.0690 2074.5029 1945.8059 117.9588 -206553.9497 17989.8840 0.0000 0.0000 34323.9351 -149374.7939 299.7595 -183698.7290 -149285.3116 298.5845 44.9353 78.8766 557599.3844 14.2410 14.1786 PRESSURE: 1150000 73.2304 -162.768 -55.4948 -162.768 -287.29 -5.16032 -55.4938 -5.16186 -100.332 GPRESSURE: 1150000 99.851 -145.156 -36.3516 -212.755 -281.741 108.209 -71.4689 40.9315 -53.0292 PRESSAVG: 1150000 -80.8867 -22.2624 -39.469 -22.2623 14.8043 33.9701 -39.469 33.9701 21.5369 GPRESSAVG: 1150000 -79.9661 -23.0511 -40.902 -22.2062 14.2249 35.4096 -38.7003 34.1651 21.0723 TIMING: 1150000 CPU: 3413.89, 0.00304001/step Wall: 3413.89, 0.00304001/step, 3.25112 hours remaining, 206.964844 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: 1150000 744.3200 2014.2717 1946.8858 109.3308 -206094.8021 17724.1098 0.0000 0.0000 34361.9914 -149193.8926 300.0918 -183555.8840 -149089.6643 298.8411 -104.7970 -78.3065 557492.0313 -14.8485 -14.8896 PRESSURE: 1150200 108.608 -58.1622 -16.2321 -58.1627 -10.0319 -20.0166 -16.231 -20.0168 105.795 GPRESSURE: 1150200 112.615 -12.9145 1.47685 -90.5719 64.0319 18.9609 -45.8993 -29.6643 144.499 PRESSAVG: 1150200 -16.0813 9.67959 -42.1248 9.67967 19.7718 -33.4264 -42.1248 -33.4263 8.23364 GPRESSAVG: 1150200 -15.3383 8.10018 -41.1755 10.0134 19.806 -35.0475 -43.5761 -34.1993 8.03654 TIMING: 1150200 CPU: 3414.49, 0.00303704/step Wall: 3414.49, 0.00303704/step, 3.24777 hours remaining, 206.964844 MB of memory in use. ENERGY: 1150200 733.1573 2045.2235 1933.6387 93.4579 -205911.7009 17898.0513 0.0000 0.0000 34004.6581 -149203.5142 296.9711 -183208.1722 -149103.9814 298.7924 68.1235 107.0488 556777.8823 3.9747 4.1681 PRESSURE: 1150400 52.2169 20.8131 -94.0666 20.814 -223.406 36.9155 -94.0662 36.9157 -69.6619 GPRESSURE: 1150400 113.804 77.1651 -52.1678 -27.0967 -211.292 9.71086 -136.514 66.2692 -56.372 PRESSAVG: 1150400 -22.3654 7.07978 11.4685 7.07993 -37.2946 60.0661 11.4683 60.0661 38.627 GPRESSAVG: 1150400 -22.0452 9.20274 9.67338 7.05233 -36.3745 57.6682 13.2329 62.8473 37.8399 TIMING: 1150400 CPU: 3415.09, 0.00300889/step Wall: 3415.09, 0.00300889/step, 3.2175 hours remaining, 206.964844 MB of memory in use. ENERGY: 1150400 757.6223 2091.5017 1953.6026 109.5794 -205871.1158 17676.8736 0.0000 0.0000 33892.6985 -149389.2378 295.9934 -183281.9362 -149290.9760 298.7360 -80.2838 -51.2869 557666.7351 -7.0110 -6.8600 PRESSURE: 1150600 150.124 -59.5013 95.8593 -59.503 407.179 187.37 95.8594 187.371 245.969 GPRESSURE: 1150600 172.671 -48.053 76.1496 17.0988 413.234 162.218 68.872 151.795 297.999 PRESSAVG: 1150600 45.1676 -32.2227 49.553 -32.2227 -73.6767 24.8073 49.5531 24.8073 11.6691 GPRESSAVG: 1150600 44.0059 -33.6009 50.9973 -32.3002 -73.075 27.7879 49.5733 22.5667 12.577 TIMING: 1150600 CPU: 3415.7, 0.00302301/step Wall: 3415.7, 0.00302301/step, 3.23244 hours remaining, 206.964844 MB of memory in use. ENERGY: 1150600 709.3427 2066.9900 1936.8177 102.6110 -206606.1785 18158.5719 0.0000 0.0000 34297.6022 -149334.2431 299.5295 -183631.8452 -149239.8896 298.4290 267.7574 294.6345 556821.6941 -5.6134 -5.4974 PRESSURE: 1150800 3.5216 24.9928 -84.4514 24.9924 59.4759 -58.0334 -84.4523 -58.0344 -129.776 GPRESSURE: 1150800 41.0844 -15.9733 -10.5439 39.8412 51.8905 -100.571 -8.05053 51.9987 -63.5784 PRESSAVG: 1150800 -18.6343 -25.0648 72.4057 -25.0648 11.8249 -2.65886 72.4058 -2.65878 12.9939 GPRESSAVG: 1150800 -19.5556 -24.4181 73.6678 -24.8983 11.0204 -3.07778 70.5025 -2.37727 14.4987 TIMING: 1150800 CPU: 3416.31, 0.00303488/step Wall: 3416.31, 0.00303488/step, 3.24496 hours remaining, 206.964844 MB of memory in use. ENERGY: 1150800 727.8495 2031.9129 1927.4345 101.9702 -206097.1495 17776.3586 0.0000 0.0000 34385.7033 -149145.9203 300.2989 -183531.6237 -149048.0002 299.5243 -22.2597 9.7988 557482.7136 2.0615 1.9879 PRESSURE: 1151000 -262.568 -73.1196 -52.379 -73.1197 225.535 -125.505 -52.3789 -125.506 -65.9912 GPRESSURE: 1151000 -178.796 13.0278 -0.764094 -36.0706 223.19 -120.877 -104.743 -142.924 -47.7452 PRESSAVG: 1151000 5.50503 -54.396 17.6602 -54.396 -11.7484 -29.313 17.6602 -29.313 3.99357 GPRESSAVG: 1151000 5.9856 -55.3661 19.1495 -54.4813 -10.8122 -32.1617 19.9167 -26.7789 3.22646 TIMING: 1151000 CPU: 3416.91, 0.00301005/step Wall: 3416.91, 0.00301005/step, 3.21824 hours remaining, 206.964844 MB of memory in use. ENERGY: 1151000 754.5013 2060.7578 1921.3909 111.5622 -205959.9472 17764.5870 0.0000 0.0000 34115.6022 -149231.5459 297.9400 -183347.1481 -149139.8265 299.2800 -34.3412 -1.1172 557566.9233 -0.7499 -0.5334 PRESSURE: 1151200 -184.122 9.38731 -105.426 9.38759 -55.8036 -90.6102 -105.425 -90.6095 -58.9166 GPRESSURE: 1151200 -175.754 28.5237 -136.057 -37.578 -37.8578 -102.43 -95.8097 -59.8072 16.0606 PRESSAVG: 1151200 -4.78706 -4.46038 -7.49029 -4.46047 30.8122 -5.12855 -7.49025 -5.12839 -6.3824 GPRESSAVG: 1151200 -4.8283 -2.58835 -7.64857 -4.60256 31.2556 -2.9371 -8.78265 -6.94679 -7.03828 TIMING: 1151200 CPU: 3417.52, 0.00303955/step Wall: 3417.52, 0.00303955/step, 3.24961 hours remaining, 206.964844 MB of memory in use. ENERGY: 1151200 755.2666 2112.9114 1923.3447 118.9858 -206322.1831 17828.3879 0.0000 0.0000 34489.4890 -149093.7978 301.2053 -183583.2868 -149006.8996 299.5650 -99.6141 -65.8503 558470.4962 6.5476 6.4630 PRESSURE: 1151400 -208.835 18.8465 10.5138 18.8458 -87.992 125.884 10.5134 125.883 73.4943 GPRESSURE: 1151400 -222.249 -18.5261 137.421 27.8285 -1.93081 143.037 -15.2278 101.551 99.123 PRESSAVG: 1151400 -45.7249 -12.5493 -21.0872 -12.5494 -0.762387 16.0172 -21.0872 16.0172 31.9765 GPRESSAVG: 1151400 -46.9996 -14.3997 -24.5364 -10.3368 -0.184669 16.0725 -20.3287 14.2257 32.5394 TIMING: 1151400 CPU: 3418.13, 0.00305141/step Wall: 3418.13, 0.00305141/step, 3.26213 hours remaining, 206.964844 MB of memory in use. ENERGY: 1151400 726.4556 1999.2063 1936.8188 114.3925 -206037.5499 17844.7335 0.0000 0.0000 34289.8847 -149126.0586 299.4621 -183415.9433 -149039.0461 299.2566 -74.4442 -41.6856 558051.0185 -4.8369 -4.8816 PRESSURE: 1151600 -119.851 135.197 159.619 135.197 61.6048 -51.4033 159.619 -51.4048 -357.902 GPRESSURE: 1151600 -99.9538 119.654 128.565 211.856 77.1384 -30.2635 81.3419 -27.4859 -290.788 PRESSAVG: 1151600 2.33497 48.7161 -26.5034 48.716 32.0973 -42.8194 -26.5034 -42.8195 -14.549 GPRESSAVG: 1151600 2.96312 48.8125 -25.556 48.4194 30.43 -43.3318 -26.6013 -41.1866 -13.5032 TIMING: 1151600 CPU: 3418.74, 0.0030707/step Wall: 3418.74, 0.0030707/step, 3.28258 hours remaining, 206.964844 MB of memory in use. ENERGY: 1151600 752.6746 2069.4180 1916.6072 113.7126 -205728.1271 17586.5503 0.0000 0.0000 34166.2847 -149122.8797 298.3827 -183289.1644 -149028.0147 298.8785 -138.7162 -104.5345 557627.0614 6.6278 6.6300 PRESSURE: 1151800 -182.47 -102.528 10.5725 -102.529 -87.4469 -76.2563 10.5731 -76.255 33.1426 GPRESSURE: 1151800 -119.632 -85.1826 -25.3293 -197.406 -99.1439 -110.809 33.4526 7.18627 78.702 PRESSAVG: 1151800 -15.6466 10.2332 33.3703 10.233 82.624 -7.60182 33.3703 -7.60177 -27.0252 GPRESSAVG: 1151800 -16.0014 10.7231 33.1822 9.09778 83.5731 -8.40467 33.0066 -6.73595 -26.9485 TIMING: 1151800 CPU: 3419.36, 0.00308026/step Wall: 3419.36, 0.00308026/step, 3.29263 hours remaining, 206.964844 MB of memory in use. ENERGY: 1151800 765.5585 2058.5251 1956.1504 105.0227 -205572.9699 17468.5373 0.0000 0.0000 34071.7419 -149147.4340 297.5570 -183219.1759 -149052.2006 299.2368 -78.9247 -46.6913 557145.6666 13.3174 13.5411 PRESSURE: 1152000 19.4971 168.026 -63.0363 168.028 107.137 -80.3975 -63.0363 -80.3971 212.112 GPRESSURE: 1152000 29.7396 77.1197 31.047 195.721 182.256 -132.357 -163.283 1.5985 234.414 PRESSAVG: 1152000 13.2739 -2.19829 45.129 -2.1983 -30.0515 28.1628 45.1291 28.1627 -13.4476 GPRESSAVG: 1152000 13.4024 -1.69493 47.1104 -1.7912 -30.3454 27.7947 44.6163 27.5103 -14.1014 TIMING: 1152000 CPU: 3419.96, 0.00301203/step Wall: 3419.96, 0.00301203/step, 3.21953 hours remaining, 206.964844 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: 1152000 732.9951 2072.5055 1954.6839 135.3036 -206398.2006 17912.7129 0.0000 0.0000 34189.7442 -149400.2555 298.5875 -183589.9997 -149311.0173 298.5529 112.9155 148.8031 554950.8229 -10.0751 -10.3481 PRESSURE: 1152200 64.8267 16.0757 -169.503 16.0772 -37.429 80.05 -169.503 80.0508 2.03549 GPRESSURE: 1152200 124.542 -52.4637 -150.307 101.494 -24.7266 72.4391 -198.11 75.6074 28.7498 PRESSAVG: 1152200 -40.2064 37.836 -98.7092 37.836 33.2934 -23.8184 -98.7092 -23.8184 27.2834 GPRESSAVG: 1152200 -39.3717 38.7793 -100.503 36.4039 32.7221 -23.5233 -96.5529 -23.6596 27.3669 TIMING: 1152200 CPU: 3420.57, 0.0030549/step Wall: 3420.57, 0.0030549/step, 3.26518 hours remaining, 206.964844 MB of memory in use. ENERGY: 1152200 736.9989 2026.1323 1957.9580 106.5332 -206252.6497 17826.5668 0.0000 0.0000 34268.0206 -149330.4399 299.2711 -183598.4605 -149229.2167 298.5589 9.8111 42.8550 558465.6595 6.7901 6.9058 LDB: ============= START OF LOAD BALANCING ============== 3424.01 LDB: ============== END OF LOAD BALANCING =============== 3424.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3424.01 LDB: ============= START OF LOAD BALANCING ============== 3424.31 LDB: Largest compute 4821 load 0.033919 is 28.7% of average load 0.118050 LDB: Average compute 0.001721 is 1.5% of average load 0.118050 LDB: TIME 3424.32 LOAD: AVG 0.11805 MAX 0.197779 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.93 MB LDB: TIME 3424.32 LOAD: AVG 0.11805 MAX 0.197779 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: TIME 3424.32 LOAD: AVG 0.11805 MAX 0.197779 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3424.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3424.32 PRESSURE: 1152400 -185.247 -92.75 18.0265 -92.7511 -371.889 53.5728 18.0266 53.5732 -214.171 GPRESSURE: 1152400 -137.091 -100.989 -7.16838 -53.2255 -400.196 25.357 57.0108 106.258 -129.996 PRESSAVG: 1152400 -11.598 26.3337 -31.3848 26.3337 -16.2579 -34.1193 -31.3848 -34.1193 32.4959 GPRESSAVG: 1152400 -11.9669 26.1031 -32.2124 27.5605 -15.7598 -32.5329 -30.4532 -33.112 32.6528 TIMING: 1152400 CPU: 3421.19, 0.003111/step Wall: 3421.19, 0.003111/step, 3.32497 hours remaining, 206.636719 MB of memory in use. ENERGY: 1152400 730.9512 2134.2096 1973.0994 115.4681 -205890.8915 17447.0757 0.0000 0.0000 34231.1166 -149258.9711 298.9489 -183490.0877 -149164.2288 299.1235 -257.1025 -222.4276 559459.3494 1.5467 1.6420 PRESSURE: 1152600 -204.936 74.6169 104.556 74.6175 29.0911 18.4341 104.557 18.4316 -116.918 GPRESSURE: 1152600 -171.236 -22.9908 41.0895 32.1597 49.4217 44.7603 113.378 2.66507 -69.9533 PRESSAVG: 1152600 -27.4599 -10.0968 8.51888 -10.0968 -22.7457 -22.8973 8.51886 -22.8973 53.6128 GPRESSAVG: 1152600 -28.2347 -8.1218 10.2117 -13.0011 -22.3572 -23.4746 6.15786 -24.0178 54.4038 TIMING: 1152600 CPU: 3421.8, 0.00305389/step Wall: 3421.8, 0.00305389/step, 3.26376 hours remaining, 206.839844 MB of memory in use. ENERGY: 1152600 789.0270 2089.7077 1960.7888 114.5151 -206019.4162 17710.7023 0.0000 0.0000 34284.9037 -149069.7718 299.4186 -183354.6754 -148976.5851 299.5500 -97.5876 -63.9225 559151.4736 1.1357 1.2706 PRESSURE: 1152800 -11.8893 154.489 -53.3926 154.489 -276.784 -5.65827 -53.3933 -5.65749 -130.25 GPRESSURE: 1152800 18.2426 200.753 -147.296 131.109 -241.587 -135.227 -24.6055 15.6404 -100.44 PRESSAVG: 1152800 -45.5821 24.5738 -55.0988 24.5738 -27.2913 -16.2964 -55.0987 -16.2964 12.3812 GPRESSAVG: 1152800 -46.1096 22.1313 -55.5935 27.0089 -26.4739 -17.1772 -55.4074 -15.5793 11.8302 TIMING: 1152800 CPU: 3422.41, 0.00304857/step Wall: 3422.41, 0.00304857/step, 3.25791 hours remaining, 206.839844 MB of memory in use. ENERGY: 1152800 737.7253 2085.5062 1932.0520 110.5994 -205867.4313 17660.4666 0.0000 0.0000 34287.4515 -149053.6302 299.4408 -183341.0817 -148963.8358 299.8081 -139.6412 -107.9284 558370.2728 -20.1641 -20.2511 PRESSURE: 1153000 -200.007 50.4009 -30.0274 50.4002 -112.332 -137.85 -30.0278 -137.852 -233.722 GPRESSURE: 1153000 -204.202 78.2551 -15.1065 84.6409 -88.9586 -73.5188 -103.615 -160.494 -151.355 PRESSAVG: 1153000 -30.6832 53.8363 6.74151 53.8363 -20.619 -56.9425 6.7415 -56.9425 80.5145 GPRESSAVG: 1153000 -30.2854 52.5749 6.06205 54.8573 -21.5475 -55.9746 7.47255 -58.7869 80.823 TIMING: 1153000 CPU: 3423.03, 0.00308569/step Wall: 3423.03, 0.00308569/step, 3.29741 hours remaining, 206.839844 MB of memory in use. ENERGY: 1153000 758.4949 2127.5194 1943.8429 111.5689 -205936.1404 17597.9713 0.0000 0.0000 34305.1056 -149091.6375 299.5950 -183396.7431 -148999.8995 300.1341 -182.0206 -148.1719 559435.1907 9.7374 9.6634 PRESSURE: 1153200 -58.0936 87.99 -116.79 87.9909 -29.8461 -66.3755 -116.79 -66.3773 -61.307 GPRESSURE: 1153200 -48.4332 34.0682 -156.266 155.629 32.5908 -37.9855 -90.0423 -85.6373 -42.4208 PRESSAVG: 1153200 12.0179 -24.3849 28.2038 -24.3849 1.08465 -13.481 28.2039 -13.481 -21.6367 GPRESSAVG: 1153200 12.3628 -24.3089 28.5461 -22.6436 2.4357 -12.9968 26.3928 -11.687 -23.5145 TIMING: 1153200 CPU: 3423.64, 0.00303617/step Wall: 3423.64, 0.00303617/step, 3.24432 hours remaining, 206.839844 MB of memory in use. ENERGY: 1153200 767.7776 2095.9825 1949.2085 109.3382 -206176.5655 17944.8860 0.0000 0.0000 34190.5355 -149118.8373 298.5945 -183309.3728 -149031.9573 299.4523 -49.7489 -19.4211 558824.4332 -2.8447 -2.9053 PRESSURE: 1153400 -257.655 -69.5733 -88.2826 -69.5735 -210.165 -83.7749 -88.2831 -83.7745 -27.4543 GPRESSURE: 1153400 -255.444 -20.2043 -83.6935 -55.1453 -184.926 -185.208 -163.376 -64.5223 34.4114 PRESSAVG: 1153400 -78.6459 -101.715 32.1911 -101.715 40.4562 0.105124 32.1911 0.105047 36.8238 GPRESSAVG: 1153400 -79.4004 -98.3297 32.4231 -104.446 39.1358 -0.705515 33.5461 -0.879763 38.6393 TIMING: 1153400 CPU: 3424.25, 0.00306737/step Wall: 3424.25, 0.00306737/step, 3.27748 hours remaining, 206.839844 MB of memory in use. ENERGY: 1153400 712.1852 2030.2590 1955.8353 105.3753 -205927.2431 17665.0492 0.0000 0.0000 34145.5599 -149312.9793 298.2017 -183458.5392 -149210.2938 298.8873 -165.0916 -135.3194 559010.9275 -0.4553 -0.5418 PRESSURE: 1153600 115.813 -35.2769 131.524 -35.2787 -71.9204 111.25 131.523 111.252 -144.914 GPRESSURE: 1153600 170.605 -49.111 67.9491 -12.6136 -16.8772 139.979 169.272 132.736 -159.684 PRESSAVG: 1153600 -76.9557 -88.7016 14.7928 -88.7016 10.346 -26.238 14.7929 -26.238 50.293 GPRESSAVG: 1153600 -76.6368 -90.3603 13.021 -86.7237 11.1959 -26.6974 15.4238 -23.5734 48.8394 TIMING: 1153600 CPU: 3424.86, 0.00306049/step Wall: 3424.86, 0.00306049/step, 3.26996 hours remaining, 206.839844 MB of memory in use. ENERGY: 1153600 731.2410 2041.9328 1925.8680 126.5804 -206588.4741 17952.5795 0.0000 0.0000 34468.2553 -149342.0170 301.0198 -183810.2723 -149243.5620 299.1846 -33.6737 -1.9851 557780.8503 -5.4389 -5.5338 PRESSURE: 1153800 85.4933 -147.803 -74.984 -147.805 -75.1537 -23.4646 -74.9838 -23.4636 -173.137 GPRESSURE: 1153800 113.804 -34.0078 -32.4367 -155.94 -20.5476 67.3556 -82.5268 -153.616 -157.85 PRESSAVG: 1153800 33.967 -50.1138 48.3536 -50.1137 -21.6943 -25.3838 48.3537 -25.3839 -9.97946 GPRESSAVG: 1153800 32.7892 -49.3008 50.216 -51.54 -21.1189 -24.2762 46.3277 -27.0119 -9.31133 TIMING: 1153800 CPU: 3425.48, 0.00307206/step Wall: 3425.48, 0.00307206/step, 3.28215 hours remaining, 206.839844 MB of memory in use. ENERGY: 1153800 737.1568 2109.1889 1928.3625 111.0497 -206407.7071 17764.5402 0.0000 0.0000 34360.6590 -149396.7501 300.0802 -183757.4091 -149298.8756 298.2166 -54.2660 -21.5312 557980.1810 0.7644 0.7863 PRESSURE: 1154000 -236.527 95.3529 -108.403 95.3533 -57.1015 124.719 -108.403 124.719 -192.315 GPRESSURE: 1154000 -202.363 55.0742 -173.387 75.0626 -44.7831 203.34 -114.171 163.324 -158.404 PRESSAVG: 1154000 18.1066 -2.54549 42.568 -2.54556 20.7022 8.52107 42.5681 8.52107 -27.8855 GPRESSAVG: 1154000 18.8782 -2.59199 40.56 -3.37556 18.8425 7.84103 45.855 10.365 -26.7587 TIMING: 1154000 CPU: 3426.09, 0.00306637/step Wall: 3426.09, 0.00306637/step, 3.27591 hours remaining, 206.839844 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: 1154000 758.3607 2084.3753 1949.4567 111.5112 -206188.1917 17725.3398 0.0000 0.0000 34268.3497 -149290.7984 299.2740 -183559.1481 -149199.0497 298.7701 -161.9810 -135.1834 559385.3185 3.6411 3.6540 PRESSURE: 1154200 38.858 -0.48485 36.2562 -0.485913 -57.6263 52.7269 36.2572 52.7271 58.2847 GPRESSURE: 1154200 55.5143 51.4725 91.6798 34.888 -50.2181 39.5139 -53.0197 -29.9395 123.619 PRESSAVG: 1154200 39.8535 -52.3004 8.73865 -52.3004 -45.583 -43.2687 8.73869 -43.2686 44.0214 GPRESSAVG: 1154200 40.8246 -53.3538 12.2773 -51.3581 -45.8338 -41.0269 4.95194 -46.1165 43.9823 TIMING: 1154200 CPU: 3426.71, 0.00307807/step Wall: 3426.71, 0.00307807/step, 3.28823 hours remaining, 206.839844 MB of memory in use. ENERGY: 1154200 752.9187 2114.5143 1938.5848 119.4155 -206525.9869 17896.2942 0.0000 0.0000 34280.7960 -149423.4634 299.3827 -183704.2594 -149328.7878 299.2195 13.1721 42.9717 557479.2146 12.7640 12.9911 PRESSURE: 1154400 41.772 157.562 -15.9535 157.562 -101.423 -107.76 -15.9534 -107.76 -164.768 GPRESSURE: 1154400 82.8789 121.478 14.1393 83.6341 -75.3275 -108.345 -40.8736 -118.2 -135.596 PRESSAVG: 1154400 14.314 -16.3107 11.1271 -16.3106 -41.6171 5.6386 11.1271 5.63852 51.7386 GPRESSAVG: 1154400 13.5344 -17.1833 9.1848 -15.0153 -40.1138 3.33796 11.1517 6.50538 51.3985 TIMING: 1154400 CPU: 3427.32, 0.00305896/step Wall: 3427.32, 0.00305896/step, 3.26765 hours remaining, 206.839844 MB of memory in use. ENERGY: 1154400 772.8206 2124.1023 1913.5945 123.4269 -206416.9454 17766.7803 0.0000 0.0000 34269.8092 -149446.4115 299.2868 -183716.2208 -149342.8434 299.1090 -74.8063 -42.6814 557033.4685 8.1452 8.2730 PRESSURE: 1154600 -158.738 30.7401 25.6336 30.74 69.6317 -94.7382 25.6336 -94.7401 134.554 GPRESSURE: 1154600 -71.4989 25.8791 -28.4197 26.4116 11.1823 -110.59 124.374 -158.939 207.625 PRESSAVG: 1154600 -21.9068 11.2889 37.5993 11.2889 14.8818 -16.1535 37.5993 -16.1536 31.8119 GPRESSAVG: 1154600 -21.0226 13.3264 37.0873 7.86091 14.2002 -14.3471 38.8901 -16.7146 31.4767 TIMING: 1154600 CPU: 3427.93, 0.00307964/step Wall: 3427.93, 0.00307964/step, 3.28957 hours remaining, 206.839844 MB of memory in use. ENERGY: 1154600 703.2929 2098.0976 1924.8851 102.5624 -206312.7203 17847.5890 0.0000 0.0000 34196.7410 -149439.5523 298.6486 -183636.2933 -149343.1045 298.8023 15.1494 49.1028 557861.9315 8.2623 8.2181 PRESSURE: 1154800 -219.164 185.629 94.6693 185.628 -136.801 60.0148 94.6691 60.0143 -55.5033 GPRESSURE: 1154800 -136.528 138.501 193.045 114.859 -134.38 47.0998 48.5568 56.0106 -53.4645 PRESSAVG: 1154800 -87.8778 15.0941 -2.796 15.094 29.6472 -14.5338 -2.79601 -14.5337 38.6859 GPRESSAVG: 1154800 -88.1059 15.0244 -1.4693 17.356 29.4894 -16.5983 -4.30958 -13.6537 38.717 TIMING: 1154800 CPU: 3428.55, 0.00306479/step Wall: 3428.55, 0.00306479/step, 3.27353 hours remaining, 206.839844 MB of memory in use. ENERGY: 1154800 766.3060 2136.6118 1936.3385 119.1287 -206367.2719 17748.1137 0.0000 0.0000 34337.0765 -149323.6967 299.8742 -183660.7732 -149219.3095 298.9033 -137.1561 -108.1243 557180.9388 -6.5149 -6.6332 PRESSURE: 1155000 116.464 -129.14 -13.7128 -129.139 -96.8166 12.4699 -13.7122 12.4676 22.8351 GPRESSURE: 1155000 191.395 -178.169 17.0581 -116.673 -90.3976 -16.1957 -0.450984 83.25 38.1139 PRESSAVG: 1155000 -9.0663 -1.81551 -1.19328 -1.8155 -1.86676 -34.1828 -1.19318 -34.1828 26.6725 GPRESSAVG: 1155000 -9.55813 -3.19835 -1.30982 -3.36303 -2.73915 -34.2706 -1.4003 -32.8665 27.7539 TIMING: 1155000 CPU: 3429.15, 0.00303967/step Wall: 3429.15, 0.00303967/step, 3.24654 hours remaining, 206.839844 MB of memory in use. ENERGY: 1155000 766.9717 2062.9634 1922.5435 95.4670 -206400.4858 17953.1159 0.0000 0.0000 34416.5044 -149182.9200 300.5679 -183599.4244 -149088.4461 299.4384 14.1608 46.3706 557857.6085 5.2465 5.1522 PRESSURE: 1155200 7.07331 5.78359 -21.3735 5.78395 -11.3495 145.362 -21.3749 145.36 120.191 GPRESSURE: 1155200 36.954 13.7376 47.528 -37.3295 8.51987 101.395 -42.4761 138.1 164.238 PRESSAVG: 1155200 -5.20421 -23.3996 7.59208 -23.3995 6.09831 -6.10711 7.59194 -6.10709 59.6073 GPRESSAVG: 1155200 -6.16909 -23.3222 7.31778 -19.8879 6.71432 -6.09805 8.87198 -6.44212 59.9576 TIMING: 1155200 CPU: 3429.77, 0.00307077/step Wall: 3429.77, 0.00307077/step, 3.27958 hours remaining, 206.839844 MB of memory in use. ENERGY: 1155200 764.5428 2042.9480 1960.8539 115.1193 -206274.0703 17937.3605 0.0000 0.0000 34254.7867 -149198.4591 299.1556 -183453.2457 -149105.1422 300.1091 38.6382 69.9038 557993.0098 20.1671 20.1676 PRESSURE: 1155400 -3.89171 -82.8858 -160.376 -82.8858 132.575 -77.6458 -160.376 -77.648 -114.479 GPRESSURE: 1155400 -56.6415 -93.8923 -123.826 -34.3869 202.56 -112.726 -90.7033 26.0345 -50.6392 PRESSAVG: 1155400 -24.602 13.4999 -6.97972 13.4998 39.15 -14.5546 -6.97964 -14.5547 -30.2176 GPRESSAVG: 1155400 -24.1103 15.1968 -7.44419 11.6007 39.0091 -14.8869 -5.86286 -13.5208 -30.815 TIMING: 1155400 CPU: 3430.38, 0.00306568/step Wall: 3430.38, 0.00306568/step, 3.27397 hours remaining, 206.839844 MB of memory in use. ENERGY: 1155400 764.0535 2126.9903 1935.9882 117.6589 -206191.3693 17805.9961 0.0000 0.0000 34366.4894 -149074.1929 300.1311 -183440.6823 -148977.0937 300.3267 4.7348 31.7598 558331.2171 -5.2232 -5.3054 PRESSURE: 1155600 31.3166 176.841 145.534 176.843 -5.9132 60.9892 145.535 60.9891 -292.938 GPRESSURE: 1155600 73.9837 194.524 108.767 208.001 -49.9201 42.0962 209.931 -34.474 -193.65 PRESSAVG: 1155600 -27.603 -6.39013 26.4009 -6.3901 -21.3099 -17.9672 26.4009 -17.9673 4.21238 GPRESSAVG: 1155600 -27.8075 -7.2634 24.4767 -6.81898 -21.1744 -16.0581 26.098 -20.3748 4.51233 TIMING: 1155600 CPU: 3431, 0.00309578/step Wall: 3431, 0.00309578/step, 3.30594 hours remaining, 206.839844 MB of memory in use. ENERGY: 1155600 784.3145 2064.4379 1928.7075 112.6786 -205952.9025 17762.4048 0.0000 0.0000 34253.1348 -149047.2244 299.1411 -183300.3592 -148951.5655 300.2226 -89.1780 -56.5287 557449.2509 -14.9002 -14.8232 PRESSURE: 1155800 146.045 -53.0785 -128.102 -53.0782 179.279 91.2131 -128.101 91.2122 -298.619 GPRESSURE: 1155800 152.689 -76.6835 -56.2758 -13.5539 223.627 101.654 -152.832 116.202 -255.249 PRESSAVG: 1155800 34.86 5.47187 -8.73832 5.47185 -36.8965 -9.7172 -8.7383 -9.7173 -8.70484 GPRESSAVG: 1155800 34.6897 6.35217 -7.96176 4.37374 -36.3048 -9.00378 -9.88796 -10.405 -8.46184 TIMING: 1155800 CPU: 3431.62, 0.00307284/step Wall: 3431.62, 0.00307284/step, 3.28128 hours remaining, 206.839844 MB of memory in use. ENERGY: 1155800 758.9339 2110.8297 1931.2649 113.9448 -206184.5814 17813.1630 0.0000 0.0000 34204.0117 -149252.4333 298.7121 -183456.4451 -149164.0489 298.9194 8.9017 40.3558 556249.4292 -3.5805 -3.3590 PRESSURE: 1156000 -83.6833 20.6162 109.424 20.6174 23.1148 193.853 109.424 193.851 203.547 GPRESSURE: 1156000 25.1141 75.8356 88.5095 -81.984 -0.551378 185.904 143.841 145.419 229.959 PRESSAVG: 1156000 17.2285 -12.7452 9.80329 -12.7452 51.3679 10.9819 9.80329 10.9819 -62.0476 GPRESSAVG: 1156000 17.7933 -13.5336 11.2978 -12.0823 50.9254 8.82671 8.89892 11.2783 -62.7894 TIMING: 1156000 CPU: 3432.23, 0.003083/step Wall: 3432.23, 0.003083/step, 3.29196 hours remaining, 206.839844 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: 1156000 744.3706 2063.0795 1943.8025 123.7144 -206377.9862 17879.8561 0.0000 0.0000 34309.2977 -149313.8653 299.6316 -183623.1631 -149219.1291 299.2152 47.6596 84.8405 556553.2311 2.1829 1.9764 PRESSURE: 1156200 -151.179 70.7014 71.9137 70.7022 -180.031 -27.4116 71.9132 -27.4126 -128.035 GPRESSURE: 1156200 -122.228 139.51 15.1327 128.84 -145.297 -12.5247 120.093 39.9532 -101.277 PRESSAVG: 1156200 35.5205 -59.185 52.3094 -59.1849 -13.2303 8.35211 52.3094 8.35205 -67.8789 GPRESSAVG: 1156200 34.3414 -59.9557 53.4238 -58.6191 -12.6278 8.06676 52.491 11.0406 -67.2462 TIMING: 1156200 CPU: 3432.85, 0.00309032/step Wall: 3432.85, 0.00309032/step, 3.2996 hours remaining, 206.839844 MB of memory in use. ENERGY: 1156200 783.5847 2075.3125 1957.0390 113.9670 -206088.6060 17684.4360 0.0000 0.0000 34165.8265 -149308.4404 298.3787 -183474.2669 -149215.9068 299.2485 -153.0816 -122.9341 557057.4017 -15.1962 -15.1775 LDB: ============= START OF LOAD BALANCING ============== 3436.29 LDB: ============== END OF LOAD BALANCING =============== 3436.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3436.29 LDB: ============= START OF LOAD BALANCING ============== 3436.59 LDB: Largest compute 4821 load 0.031837 is 27.0% of average load 0.118013 LDB: Average compute 0.001713 is 1.5% of average load 0.118013 LDB: TIME 3436.59 LOAD: AVG 0.118013 MAX 0.197225 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 3436.59 LOAD: AVG 0.118013 MAX 0.197225 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: TIME 3436.59 LOAD: AVG 0.118013 MAX 0.197225 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: ============== END OF LOAD BALANCING =============== 3436.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3436.6 PRESSURE: 1156400 88.5026 -19.3103 50.2122 -19.3105 -105.62 -38.2544 50.2138 -38.2543 -184.057 GPRESSURE: 1156400 75.2105 63.4174 -18.6743 -7.52277 -100.585 -112.941 81.7849 -132.053 -73.4017 PRESSAVG: 1156400 -63.5625 35.3697 -40.8326 35.3698 6.99956 -31.3396 -40.8326 -31.3396 60.4514 GPRESSAVG: 1156400 -62.6662 36.9112 -42.2724 34.5001 6.52194 -33.2448 -40.5772 -32.0834 60.3326 TIMING: 1156400 CPU: 3433.47, 0.00309925/step Wall: 3433.47, 0.00309925/step, 3.30897 hours remaining, 206.707031 MB of memory in use. ENERGY: 1156400 729.7758 2040.7476 1907.5446 109.6277 -206130.9029 17935.9881 0.0000 0.0000 34237.2217 -149169.9974 299.0022 -183407.2191 -149079.6969 299.5962 -67.0581 -32.9253 558419.9522 1.2961 1.3961 PRESSURE: 1156600 24.9561 60.696 143.528 60.6961 -17.1382 87.707 143.528 87.7061 6.99246 GPRESSURE: 1156600 12.7481 44.661 155.807 34.9871 19.2781 38.6351 50.5774 66.489 85.0456 PRESSAVG: 1156600 -36.0595 -36.7025 1.85125 -36.7025 22.593 2.64264 1.85135 2.6426 20.5075 GPRESSAVG: 1156600 -35.5086 -39.6497 1.11281 -32.5258 21.2975 3.16311 2.82357 3.26667 21.1418 TIMING: 1156600 CPU: 3434.07, 0.00298801/step Wall: 3434.07, 0.00298801/step, 3.19003 hours remaining, 206.777344 MB of memory in use. ENERGY: 1156600 754.4627 2060.6729 1937.7261 122.4276 -206253.4790 17905.1172 0.0000 0.0000 34113.5022 -149359.5703 297.9217 -183473.0725 -149260.4808 298.7337 4.9368 39.0239 556762.2570 2.3470 2.3102 PRESSURE: 1156800 -67.4085 8.79543 19.5535 8.79488 -40.758 -126.281 19.5536 -126.28 -199.037 GPRESSURE: 1156800 -43.2342 -21.2329 -14.2432 41.251 31.1839 -147.275 19.01 -110.785 -212.605 PRESSAVG: 1156800 -38.7208 -38.3373 77.9257 -38.3373 63.4765 -32.6275 77.9257 -32.6275 7.70401 GPRESSAVG: 1156800 -38.9926 -35.5131 78.2234 -40.4965 64.4149 -31.1491 78.4831 -34.6131 6.87006 TIMING: 1156800 CPU: 3434.67, 0.00302309/step Wall: 3434.67, 0.00302309/step, 3.22732 hours remaining, 206.777344 MB of memory in use. ENERGY: 1156800 717.5122 2105.3381 1904.6226 122.5496 -206187.0936 17643.1130 0.0000 0.0000 34337.7148 -149356.2434 299.8798 -183693.9581 -149252.8286 298.9384 -102.4010 -74.8852 556803.6406 10.8199 10.7641 PRESSURE: 1157000 98.2841 -38.0634 7.98544 -38.0615 344.291 -67.5017 7.98535 -67.5012 218.383 GPRESSURE: 1157000 163.652 -34.5406 42.221 -6.80997 414.823 -21.1565 -4.19745 -76.4111 190.762 PRESSAVG: 1157000 -0.509117 7.96183 20.5854 7.96179 51.9939 -23.6178 20.5854 -23.6178 -7.95088 GPRESSAVG: 1157000 -0.650897 6.45962 21.3725 8.56616 52.6972 -23.9585 19.1858 -23.5115 -8.24226 TIMING: 1157000 CPU: 3435.27, 0.00300893/step Wall: 3435.27, 0.00300893/step, 3.21204 hours remaining, 206.777344 MB of memory in use. ENERGY: 1157000 726.3583 2071.7897 1939.0534 108.0494 -206889.6503 18270.4533 0.0000 0.0000 34189.1474 -149584.7988 298.5823 -183773.9462 -149489.3011 298.6693 220.3195 256.4122 557160.9215 14.5113 14.6014 PRESSURE: 1157200 -20.4337 11.5844 52.3512 11.5849 -10.7586 84.7445 52.3499 84.745 126.284 GPRESSURE: 1157200 23.4099 -43.1856 17.453 58.8062 24.855 108 216.581 -4.21992 126.31 PRESSAVG: 1157200 75.7115 10.1562 30.2512 10.1563 36.1014 51.8424 30.2512 51.8424 -91.5065 GPRESSAVG: 1157200 76.5456 11.2743 30.9164 8.61174 35.9558 52.9023 30.7835 51.0975 -92.4129 TIMING: 1157200 CPU: 3435.88, 0.00301603/step Wall: 3435.88, 0.00301603/step, 3.21944 hours remaining, 206.777344 MB of memory in use. ENERGY: 1157200 744.0212 2093.4482 1927.9508 112.7311 -206425.2898 17925.2577 0.0000 0.0000 34238.3919 -149383.4889 299.0124 -183621.8808 -149294.1268 298.5892 31.6971 58.1916 557785.9744 6.7688 6.6962 PRESSURE: 1157400 -103.901 -139.913 -137.446 -139.914 19.2163 -1.05659 -137.446 -1.05673 -110.601 GPRESSURE: 1157400 -23.4859 -88.6309 -137.467 -133.759 85.5677 -19.375 -42.7033 -50.7103 -154.377 PRESSAVG: 1157400 -63.0504 9.55765 -3.56161 9.55758 59.4227 7.82274 -3.56158 7.8227 -16.9036 GPRESSAVG: 1157400 -62.7669 9.05995 -4.4577 10.718 59.1525 4.93062 -5.06134 10.6596 -16.5898 TIMING: 1157400 CPU: 3436.48, 0.00299634/step Wall: 3436.48, 0.00299634/step, 3.19826 hours remaining, 206.777344 MB of memory in use. ENERGY: 1157400 752.4897 2127.9024 1960.1104 107.3959 -206228.5605 17830.4161 0.0000 0.0000 34314.2325 -149136.0134 299.6747 -183450.2459 -149041.1624 299.0722 -65.0952 -30.7652 558734.8314 -6.8438 -6.7347 PRESSURE: 1157600 -276.078 71.3044 -174.067 71.3025 -88.5037 78.9885 -174.068 78.99 205.371 GPRESSURE: 1157600 -245.693 104.847 -159.941 40.9386 -68.4448 78.3693 -134.052 91.5571 246.783 PRESSAVG: 1157600 -3.55864 55.5541 -49.3401 55.5539 -7.20721 10.567 -49.3401 10.567 36.5619 GPRESSAVG: 1157600 -4.84728 55.1843 -47.6916 55.9671 -6.25989 13.5722 -49.4845 9.01429 36.6854 TIMING: 1157600 CPU: 3437.07, 0.00297869/step Wall: 3437.07, 0.00297869/step, 3.17926 hours remaining, 206.777344 MB of memory in use. ENERGY: 1157600 761.9560 2063.1634 1925.1992 126.2810 -206323.2969 17906.6878 0.0000 0.0000 34167.1950 -149372.8145 298.3906 -183540.0095 -149283.9198 299.3515 -53.0700 -22.4516 556067.8110 8.5987 8.5261 PRESSURE: 1157800 -128.45 -0.328944 -120.779 -0.328635 82.7369 -5.55153 -120.779 -5.55152 42.6546 GPRESSURE: 1157800 -47.7308 -62.506 -115.061 -73.4924 40.9172 140.459 -117.138 -70.4158 123.382 PRESSAVG: 1157800 5.08152 -51.5371 -42.9888 -51.537 -42.3701 44.4529 -42.9887 44.4529 48.337 GPRESSAVG: 1157800 5.64232 -49.4112 -44.3638 -53.8688 -42.5177 44.1355 -41.6918 44.0817 48.3099 TIMING: 1157800 CPU: 3437.68, 0.00303964/step Wall: 3437.68, 0.00303964/step, 3.24414 hours remaining, 206.777344 MB of memory in use. ENERGY: 1157800 776.5360 2086.2328 1926.0178 107.9456 -206371.5196 18016.9568 0.0000 0.0000 34361.3805 -149096.4499 300.0865 -183457.8304 -148999.1445 299.0450 -1.0194 38.8561 558260.5217 3.6828 3.8115 PRESSURE: 1158000 -185.366 30.3472 130.115 30.3457 -220.443 151.805 130.114 151.805 -11.4899 GPRESSURE: 1158000 -46.3511 -0.748047 148.741 38.1937 -251.505 148.461 204.164 224.647 -17.3585 PRESSAVG: 1158000 -21.7639 23.3655 -42.5256 23.3655 -26.4808 7.38015 -42.5257 7.38015 9.72113 GPRESSAVG: 1158000 -21.398 21.0752 -42.6384 25.5265 -27.9086 5.89783 -42.6771 6.26417 10.5519 TIMING: 1158000 CPU: 3438.28, 0.00302064/step Wall: 3438.28, 0.00302064/step, 3.22369 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: 1158000 746.2400 2064.3251 1941.4501 113.9856 -205641.3286 17523.7906 0.0000 0.0000 34232.9613 -149018.5758 298.9650 -183251.5371 -148920.0119 299.3544 -139.0997 -105.0716 556919.1421 -12.8412 -12.9183 PRESSURE: 1158200 -128.479 -244.932 220.637 -244.932 133.729 -6.48704 220.638 -6.48688 -73.2364 GPRESSURE: 1158200 -92.5266 -170.998 249.52 -284.052 141.192 -45.4249 196.637 25.5028 -22.0938 PRESSAVG: 1158200 -57.469 11.6658 17.7338 11.6658 34.1859 8.60364 17.7337 8.60362 31.1517 GPRESSAVG: 1158200 -56.5435 12.5738 19.0838 12.1717 34.7295 9.15356 18.5297 9.36161 29.968 TIMING: 1158200 CPU: 3438.89, 0.00302762/step Wall: 3438.89, 0.00302762/step, 3.23098 hours remaining, 206.777344 MB of memory in use. ENERGY: 1158200 748.0146 2110.9700 1920.7671 114.2753 -206052.0553 17779.6070 0.0000 0.0000 34098.1989 -149280.2224 297.7881 -183378.4213 -149181.6054 298.7927 -22.6622 8.8571 556603.5497 2.6228 2.7180 PRESSURE: 1158400 155.372 -17.0606 -166.21 -17.0603 73.944 63.2349 -166.21 63.2347 -10.5398 GPRESSURE: 1158400 192.245 -49.7276 -188.807 -53.9959 98.9699 103.382 -148.846 14.4884 29.2081 PRESSAVG: 1158400 -21.7685 14.9247 -12.1072 14.9247 20.3158 70.4622 -12.1072 70.4622 -10.1483 GPRESSAVG: 1158400 -22.4806 14.4239 -13.9857 14.6969 19.0584 70.2953 -10.8099 70.9833 -8.36733 TIMING: 1158400 CPU: 3439.5, 0.00304291/step Wall: 3439.5, 0.00304291/step, 3.24713 hours remaining, 206.777344 MB of memory in use. ENERGY: 1158400 757.5539 2036.0990 1929.6414 110.7176 -206265.3791 17977.0321 0.0000 0.0000 34212.5223 -149241.8128 298.7865 -183454.3351 -149149.5762 298.4931 72.9255 106.8075 556911.9273 -3.8670 -3.9298 PRESSURE: 1158600 61.9645 26.6572 128.62 26.6561 -9.48163 43.5978 128.619 43.5982 119.847 GPRESSURE: 1158600 103.715 32.4881 35.3871 58.4263 54.3222 64.5023 163.828 46.6652 105.359 PRESSAVG: 1158600 55.0784 20.1196 17.7146 20.1196 8.00336 35.0099 17.7147 35.0098 -24.4156 GPRESSAVG: 1158600 54.275 21.3992 19.0299 19.0794 9.48599 34.7734 14.7509 33.6237 -25.1199 TIMING: 1158600 CPU: 3440.11, 0.00304747/step Wall: 3440.11, 0.00304747/step, 3.25182 hours remaining, 206.777344 MB of memory in use. ENERGY: 1158600 761.6435 2119.1383 1938.6082 116.4588 -206031.0158 17725.5177 0.0000 0.0000 34241.0636 -149128.5857 299.0357 -183369.6493 -149038.1340 299.2690 57.4433 87.7987 557275.3375 12.8887 12.8804 PRESSURE: 1158800 88.4946 60.3178 153.777 60.3174 -26.2876 -133.449 153.777 -133.45 200.425 GPRESSURE: 1158800 73.2531 89.9651 146.139 53.7342 47.1838 8.38424 117.389 -153.189 243.265 PRESSAVG: 1158800 18.5314 17.7203 55.6349 17.7202 -19.7308 58.6179 55.6349 58.6178 4.77682 GPRESSAVG: 1158800 18.7738 18.2685 57.2041 19.0974 -20.6658 59.9389 55.0713 57.1101 5.73221 TIMING: 1158800 CPU: 3440.71, 0.00300799/step Wall: 3440.71, 0.00300799/step, 3.20952 hours remaining, 206.777344 MB of memory in use. ENERGY: 1158800 738.5374 2064.1380 1926.5112 118.5899 -206128.1042 17894.5590 0.0000 0.0000 34347.5855 -149038.1830 299.9660 -183385.7686 -148938.2831 300.1140 87.5439 121.2341 557764.4067 1.1925 1.2801 PRESSURE: 1159000 -188.315 126.052 -80.582 126.052 50.3157 -39.6312 -80.5814 -39.6321 143.203 GPRESSURE: 1159000 -153.538 24.116 50.6217 141.639 88.4499 -66.2471 -106.827 60.4893 156.709 PRESSAVG: 1159000 18.4521 50.34 51.4152 50.3401 -9.62621 -5.76779 51.4153 -5.76787 11.4384 GPRESSAVG: 1159000 17.8297 48.5708 50.0737 48.1601 -7.93811 -4.54326 52.3697 -5.97432 10.503 TIMING: 1159000 CPU: 3441.31, 0.00299827/step Wall: 3441.31, 0.00299827/step, 3.19898 hours remaining, 206.777344 MB of memory in use. ENERGY: 1159000 718.9321 2056.2252 1931.4537 114.4486 -205975.2003 17734.7028 0.0000 0.0000 34322.7288 -149096.7090 299.7489 -183419.4378 -149000.7023 299.9051 1.7346 30.5404 557890.0026 6.7548 6.7982 PRESSURE: 1159200 -81.716 10.9524 33.5908 10.9514 -101.052 40.3404 33.5914 40.3415 -137.254 GPRESSURE: 1159200 -81.2659 -22.3218 41.4949 6.84699 -73.3676 82.8109 17.883 45.0666 -63.226 PRESSAVG: 1159200 -40.5078 -22.3359 12.6935 -22.336 12.3261 34.042 12.6935 34.0421 44.5883 GPRESSAVG: 1159200 -39.3904 -21.7805 11.5561 -19.2871 11.4725 32.4069 14.593 33.76 43.7873 TIMING: 1159200 CPU: 3441.92, 0.00303713/step Wall: 3441.92, 0.00303713/step, 3.24028 hours remaining, 206.777344 MB of memory in use. ENERGY: 1159200 781.2347 2062.2058 1948.8633 113.1486 -206173.4101 17709.8770 0.0000 0.0000 34543.8748 -149014.2058 301.6802 -183558.0806 -148918.6710 300.3922 -106.6738 -72.6198 558097.9708 5.4689 5.2898 PRESSURE: 1159400 -215.459 31.7318 -46.8443 31.7304 -345.79 -21.2559 -46.8447 -21.2572 -309.788 GPRESSURE: 1159400 -153.721 35.3936 36.0756 15.1394 -321.465 -51.773 -81.6442 -7.20718 -307.392 PRESSAVG: 1159400 18.2796 12.9553 -25.2437 12.9553 -13.7887 -31.0262 -25.2437 -31.0263 -13.1418 GPRESSAVG: 1159400 18.161 11.1003 -22.9378 11.8358 -13.4711 -31.0469 -27.0952 -30.3933 -13.3331 TIMING: 1159400 CPU: 3442.53, 0.00305329/step Wall: 3442.53, 0.00305329/step, 3.25735 hours remaining, 206.777344 MB of memory in use. ENERGY: 1159400 754.7432 2032.1945 1926.1169 107.1919 -205516.5257 17446.2785 0.0000 0.0000 34361.0102 -148888.9906 300.0832 -183250.0008 -148797.2798 299.8036 -290.3455 -260.8594 559593.0948 -2.8836 -2.8811 PRESSURE: 1159600 -130.34 -53.4344 -9.04316 -53.4342 -321.676 26.4498 -9.04324 26.4499 7.14592 GPRESSURE: 1159600 -54.6852 -102.677 -61.8804 -33.9347 -278.857 -72.6609 52.4294 22.0657 -28.8401 PRESSAVG: 1159600 8.04369 -22.4956 -34.995 -22.4957 -29.2255 -52.2608 -34.9949 -52.2608 20.7442 GPRESSAVG: 1159600 8.04249 -22.5237 -36.4949 -22.7698 -30.1846 -51.617 -34.4075 -51.0189 21.1372 TIMING: 1159600 CPU: 3443.14, 0.00307905/step Wall: 3443.14, 0.00307905/step, 3.28466 hours remaining, 206.777344 MB of memory in use. ENERGY: 1159600 762.2991 2091.1267 1951.6182 112.9719 -205899.1405 17627.3183 0.0000 0.0000 34470.5337 -148883.2728 301.0397 -183353.8064 -148790.9428 300.7180 -148.2900 -120.7942 559049.9742 -0.1459 -0.3349 PRESSURE: 1159800 41.7843 -39.8867 47.7782 -39.8867 187.574 -218.201 47.7791 -218.2 41.2183 GPRESSURE: 1159800 45.1967 13.2457 92.68 -55.5902 206.15 -124.776 -91.1341 -267.546 107.913 PRESSAVG: 1159800 -14.4991 -26.1536 -33.6937 -26.1536 -45.6748 -18.1191 -33.6938 -18.1192 81.513 GPRESSAVG: 1159800 -14.6037 -25.4275 -35.3792 -24.6448 -45.0196 -19.0218 -32.6829 -19.2331 80.9894 TIMING: 1159800 CPU: 3443.76, 0.00310187/step Wall: 3443.76, 0.00310187/step, 3.30883 hours remaining, 206.777344 MB of memory in use. ENERGY: 1159800 722.6923 2110.0245 1943.6448 107.8829 -205749.8712 17783.7654 0.0000 0.0000 34386.2472 -148695.6141 300.3036 -183081.8614 -148595.3907 300.7038 90.1921 119.7534 558001.4946 7.1130 7.1220 PRESSURE: 1160000 -247.182 132.923 54.3467 132.923 -163.37 157.946 54.3468 157.948 -207.487 GPRESSURE: 1160000 -169.532 69.178 102.273 187.323 -194.284 216.105 -15.7353 141.779 -158.119 PRESSAVG: 1160000 -23.5452 3.6931 -3.9486 3.69307 83.7649 -25.4126 -3.94865 -25.4126 -13.0698 GPRESSAVG: 1160000 -22.3916 3.02427 -3.22599 3.22397 83.3295 -23.1167 -4.10465 -26.3074 -13.5557 TIMING: 1160000 CPU: 3444.37, 0.00304431/step Wall: 3444.37, 0.00304431/step, 3.24727 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: 1160000 755.9937 2036.4571 1922.1018 117.8104 -205215.1310 17402.7750 0.0000 0.0000 34280.4303 -148699.5627 299.3795 -182979.9930 -148610.9330 300.9714 -206.0127 -173.9781 557621.3287 15.7166 15.7941 PRESSURE: 1160200 -51.9242 47.8289 -121.277 47.8284 56.4489 -6.09156 -121.277 -6.09153 -224.711 GPRESSURE: 1160200 -15.8693 15.3895 -211.63 39.9278 28.4431 42.7074 -49.7956 -51.0084 -138.868 PRESSAVG: 1160200 21.9154 -17.0284 -4.67054 -17.0283 -37.7834 -18.4194 -4.67042 -18.4194 -35.0027 GPRESSAVG: 1160200 20.5868 -17.4438 -4.78098 -17.7872 -38.4826 -19.0158 -6.39734 -17.8387 -33.3267 TIMING: 1160200 CPU: 3444.99, 0.00307579/step Wall: 3444.99, 0.00307579/step, 3.28067 hours remaining, 206.777344 MB of memory in use. ENERGY: 1160200 730.7770 2063.7466 1915.7410 119.3971 -205919.3796 17730.7627 0.0000 0.0000 34531.3989 -148827.5563 301.5713 -183358.9551 -148724.6609 300.5561 -73.3956 -42.0981 558545.8054 -16.9569 -17.0742 LDB: ============= START OF LOAD BALANCING ============== 3448.42 LDB: ============== END OF LOAD BALANCING =============== 3448.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3448.42 LDB: ============= START OF LOAD BALANCING ============== 3448.73 LDB: Largest compute 4821 load 0.031696 is 26.9% of average load 0.117953 LDB: Average compute 0.001711 is 1.5% of average load 0.117953 LDB: TIME 3448.73 LOAD: AVG 0.117953 MAX 0.199131 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.992 MB LDB: TIME 3448.73 LOAD: AVG 0.117953 MAX 0.199131 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.062 MB LDB: TIME 3448.73 LOAD: AVG 0.117953 MAX 0.199131 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.062 MB LDB: ============== END OF LOAD BALANCING =============== 3448.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3448.74 PRESSURE: 1160400 234.898 72.6804 -28.8228 72.6811 -276.559 -19.4396 -28.8225 -19.4399 -203.411 GPRESSURE: 1160400 247.503 132.534 -53.9448 68.7636 -260.543 -43.7836 17.523 -63.1197 -148.678 PRESSAVG: 1160400 21.9669 17.0975 -41.4865 17.0975 -50.6286 0.0131544 -41.4865 0.0131069 46.7323 GPRESSAVG: 1160400 20.4963 16.3995 -42.9682 17.2458 -50.1607 -0.800468 -40.1493 1.63755 47.3093 TIMING: 1160400 CPU: 3445.61, 0.00309554/step Wall: 3445.61, 0.00309554/step, 3.30156 hours remaining, 208.425781 MB of memory in use. ENERGY: 1160400 748.3478 2118.3039 1937.7801 110.9423 -205955.4625 17668.6257 0.0000 0.0000 34357.6494 -149013.8133 300.0539 -183371.4627 -148928.9616 300.9799 -81.6906 -53.9061 558888.3844 6.0235 5.8816 PRESSURE: 1160600 -156.59 -119.182 -150.14 -119.181 -44.0526 102.855 -150.139 102.855 -13.7816 GPRESSURE: 1160600 -178.421 -83.9811 -151.908 -103.941 52.6725 167.068 -115.398 85.5068 18.3804 PRESSAVG: 1160600 2.71594 -4.23574 -4.79592 -4.23568 -18.7492 60.6147 -4.79589 60.6147 25.3695 GPRESSAVG: 1160600 3.36803 -2.62097 -4.16358 -5.54306 -17.7167 61.5398 -4.76075 57.8137 23.7041 TIMING: 1160600 CPU: 3446.22, 0.00307084/step Wall: 3446.22, 0.00307084/step, 3.27505 hours remaining, 208.628906 MB of memory in use. ENERGY: 1160600 787.8897 2111.4537 1940.1727 125.0905 -205913.7843 17637.9838 0.0000 0.0000 34394.5804 -148916.6135 300.3764 -183311.1939 -148823.9931 300.2815 -71.4748 -35.7895 557333.7103 3.1121 3.1185 PRESSURE: 1160800 32.5227 93.0023 81.9002 93.0021 -161.622 -80.611 81.9 -80.6117 84.7252 GPRESSURE: 1160800 65.6899 67.7173 -7.46337 53.8805 -112.609 -36.0659 118.247 -108.268 109.219 PRESSAVG: 1160800 16.2754 77.8821 -26.7521 77.882 -15.3415 -2.0874 -26.7521 -2.08753 6.94914 GPRESSAVG: 1160800 15.6767 79.1036 -25.9897 78.16 -15.9442 -3.22515 -27.2728 -1.66202 7.99852 TIMING: 1160800 CPU: 3446.84, 0.00309209/step Wall: 3446.84, 0.00309209/step, 3.29754 hours remaining, 208.628906 MB of memory in use. ENERGY: 1160800 722.2153 2062.8346 1934.9100 102.0232 -206150.5888 17876.6058 0.0000 0.0000 34282.8193 -149169.1806 299.4004 -183451.9999 -149068.0476 300.7408 -14.7912 20.7666 556290.5565 2.6277 2.5770 PRESSURE: 1161000 -80.8867 7.05635 -190.26 7.05697 -98.8512 -60.3285 -190.261 -60.3283 -264.74 GPRESSURE: 1161000 -58.8629 22.8951 -72.9646 -54.9668 -97.5621 -13.628 -286.137 -46.4914 -181.675 PRESSAVG: 1161000 19.1156 75.9069 -36.5581 75.907 4.19209 28.2213 -36.5582 28.2213 -50.2841 GPRESSAVG: 1161000 20.3987 76.4841 -35.8469 74.6685 3.31633 28.1457 -35.4819 28.9228 -50.6342 TIMING: 1161000 CPU: 3447.45, 0.00306527/step Wall: 3447.45, 0.00306527/step, 3.26877 hours remaining, 208.628906 MB of memory in use. ENERGY: 1161000 732.0055 2033.4353 1955.6582 122.9795 -206050.5229 17628.0929 0.0000 0.0000 34521.9124 -149056.4391 301.4884 -183578.3515 -148959.5706 299.7782 -148.1595 -112.6999 558478.3369 -8.9921 -8.9731 PRESSURE: 1161200 176.102 97.6953 -128.559 97.696 -347.997 -63.548 -128.559 -63.5484 94.2164 GPRESSURE: 1161200 183.641 32.288 -80.599 47.2233 -264.615 -34.5872 -176.47 -108.566 100.285 PRESSAVG: 1161200 13.9989 29.6637 -17.2053 29.6636 -41.6384 -16.8485 -17.2053 -16.8485 -2.37634 GPRESSAVG: 1161200 14.3392 26.8037 -17.6858 32.9046 -41.7067 -16.9662 -19.3993 -17.7442 -2.50891 TIMING: 1161200 CPU: 3448.06, 0.0030397/step Wall: 3448.06, 0.0030397/step, 3.24133 hours remaining, 208.628906 MB of memory in use. ENERGY: 1161200 740.0743 2093.9657 1917.4391 111.0735 -206153.0328 17756.3670 0.0000 0.0000 34503.4508 -149030.6623 301.3272 -183534.1131 -148937.0664 300.2899 -25.8926 6.4371 557768.8597 -10.0053 -9.9588 PRESSURE: 1161400 -192.74 -39.2908 -39.3406 -39.291 28.8675 -72.2251 -39.3407 -72.2253 -197.125 GPRESSURE: 1161400 -164.834 -92.7599 -16.4836 -17.7048 40.5689 -91.9671 -18.7621 -67.2269 -131.738 PRESSAVG: 1161400 26.7293 6.2745 1.65045 6.2744 6.60521 -32.782 1.65048 -32.782 11.4451 GPRESSAVG: 1161400 26.0678 5.79967 3.01072 4.64418 7.21995 -32.4699 1.52126 -32.5924 11.5602 TIMING: 1161400 CPU: 3448.67, 0.00306603/step Wall: 3448.67, 0.00306603/step, 3.26924 hours remaining, 208.628906 MB of memory in use. ENERGY: 1161400 768.0829 2097.4570 1925.6717 119.9394 -205941.9787 17726.2715 0.0000 0.0000 34238.2543 -149066.3020 299.0112 -183304.5563 -148971.0880 300.1463 -120.3326 -85.3344 558016.5232 14.9265 14.9493 PRESSURE: 1161600 -36.8252 1.2332 -40.6456 1.23372 70.43 175.1 -40.6465 175.098 58.6754 GPRESSURE: 1161600 46.6675 -28.5305 -42.0459 74.2676 55.558 139.177 -13.692 147.309 96.3451 PRESSAVG: 1161600 27.7458 47.2577 20.1867 47.2578 -21.9074 70.6226 20.1868 70.6227 -16.4209 GPRESSAVG: 1161600 27.0552 48.1399 20.2487 49.0363 -22.2923 69.4076 20.8296 72.0388 -15.4155 TIMING: 1161600 CPU: 3449.28, 0.00301055/step Wall: 3449.28, 0.00301055/step, 3.20991 hours remaining, 208.628906 MB of memory in use. ENERGY: 1161600 753.7273 2100.6755 1936.8096 111.0171 -206030.6274 17840.6444 0.0000 0.0000 34284.8017 -149002.9520 299.4177 -183287.7537 -148914.2896 299.6079 30.7601 66.1902 558739.9704 -3.5275 -3.5509 PRESSURE: 1161800 -188.962 -93.8208 -86.2606 -93.8207 -125.875 -72.7541 -86.2615 -72.7542 121.597 GPRESSURE: 1161800 -77.7774 -118.567 -36.462 -39.0781 -183.505 -17.0996 -69.336 -102.245 166.415 PRESSAVG: 1161800 -21.4742 10.5592 -16.3452 10.5592 -19.9384 27.4868 -16.3451 27.4868 1.30473 GPRESSAVG: 1161800 -20.6803 10.6715 -17.6412 9.41971 -19.5006 28.5863 -16.3111 27.9274 0.527303 TIMING: 1161800 CPU: 3449.88, 0.00303856/step Wall: 3449.88, 0.00303856/step, 3.23962 hours remaining, 208.628906 MB of memory in use. ENERGY: 1161800 731.5118 2118.5877 1922.7517 117.8373 -205847.2155 17703.7246 0.0000 0.0000 34270.5071 -148982.2954 299.2929 -183252.8025 -148886.6278 300.1759 -64.4132 -31.6222 559124.3984 -13.3693 -13.2179 PRESSURE: 1162000 -116.299 65.9325 35.3984 65.9335 -35.9117 7.96646 35.3977 7.96706 -171.172 GPRESSURE: 1162000 -55.9265 20.3107 99.0894 100.231 9.05031 28.4756 12.071 56.9806 -176.896 PRESSAVG: 1162000 15.4943 -6.53458 -1.71295 -6.53458 28.3944 39.9134 -1.71296 39.9134 9.42956 GPRESSAVG: 1162000 15.6569 -5.14192 -1.39302 -7.99214 29.3376 38.437 -2.02207 38.3442 8.54074 TIMING: 1162000 CPU: 3450.5, 0.00306666/step Wall: 3450.5, 0.00306666/step, 3.2694 hours remaining, 208.628906 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: 1162000 735.4929 2092.6309 1926.8013 106.7663 -205598.6686 17550.0785 0.0000 0.0000 34102.7252 -149084.1735 297.8276 -183186.8988 -148987.5726 299.2967 -107.7943 -74.5907 558591.2174 17.7727 17.8451 PRESSURE: 1162200 6.93072 -208.63 -95.4792 -208.629 -119.308 -30.2299 -95.4791 -30.2293 -79.3032 GPRESSURE: 1162200 32.0877 -188.206 -38.2848 -210.941 -70.6692 -13.4194 -88.4231 -18.1656 -59.3634 PRESSAVG: 1162200 -17.0458 -35.7277 40.2679 -35.7277 9.4952 5.55635 40.2679 5.55644 -14.4933 GPRESSAVG: 1162200 -16.832 -36.6105 42.544 -35.1531 9.0973 6.68941 40.5088 5.62157 -14.6785 TIMING: 1162200 CPU: 3451.11, 0.00305814/step Wall: 3451.11, 0.00305814/step, 3.26015 hours remaining, 208.628906 MB of memory in use. ENERGY: 1162200 737.7998 2100.7034 1940.8805 109.5793 -206314.3718 17862.1973 0.0000 0.0000 34439.7293 -149123.4822 300.7707 -183563.2115 -149033.9813 299.3920 -63.8936 -32.6483 559103.8077 -7.3480 -7.4711 PRESSURE: 1162400 -87.3135 -48.7819 104.307 -48.7825 -132.601 56.7055 104.308 56.7042 -8.65485 GPRESSURE: 1162400 -56.9667 -31.4669 103.784 14.9033 -58.8591 19.321 73.7731 95.5373 -15.0497 PRESSAVG: 1162400 67.6097 -4.48229 16.3199 -4.48235 -21.0378 -16.2462 16.3199 -16.2464 -23.8789 GPRESSAVG: 1162400 67.5653 -3.85734 14.2021 -3.55809 -21.5082 -15.5132 15.9962 -17.0352 -23.4726 TIMING: 1162400 CPU: 3451.73, 0.0030991/step Wall: 3451.73, 0.0030991/step, 3.30364 hours remaining, 208.628906 MB of memory in use. ENERGY: 1162400 730.9227 2077.4947 1946.6443 121.2903 -205826.8614 17543.2225 0.0000 0.0000 34375.6688 -149031.6180 300.2113 -183407.2868 -148934.1262 300.2745 -76.1897 -43.6252 557699.0854 7.5643 7.5282 PRESSURE: 1162600 156.17 -113.714 -132.189 -113.714 53.4426 -18.4505 -132.19 -18.4505 -24.3268 GPRESSURE: 1162600 163.301 -48.0275 -97.4963 -83.1877 95.0733 -118.872 -106.503 8.04611 33.8886 PRESSAVG: 1162600 11.8973 -15.2966 -2.52295 -15.2966 10.6146 -17.1096 -2.52291 -17.1096 48.9837 GPRESSAVG: 1162600 12.6577 -15.3693 -2.3289 -16.7645 10.6553 -15.1062 -1.74169 -19.9432 48.1751 TIMING: 1162600 CPU: 3452.35, 0.00310367/step Wall: 3452.35, 0.00310367/step, 3.30834 hours remaining, 208.628906 MB of memory in use. ENERGY: 1162600 711.5347 2129.7558 1958.2280 106.9595 -206260.9214 17964.7657 0.0000 0.0000 34535.1189 -148854.5589 301.6038 -183389.6778 -148750.0003 300.1607 61.7621 97.4208 557923.4292 23.8319 23.8293 PRESSURE: 1162800 180.599 34.1794 -66.8217 34.1792 -10.2856 -95.8011 -66.8213 -95.8007 155.547 GPRESSURE: 1162800 231.525 -15.7847 -94.0732 103.089 4.82711 -104.591 -67.5137 -158.521 187.793 PRESSAVG: 1162800 18.64 -16.8568 26.1284 -16.8568 3.4703 7.2622 26.1285 7.26222 4.96526 GPRESSAVG: 1162800 17.9196 -16.5714 25.959 -16.2512 2.61278 4.03738 24.4691 11.8163 6.56165 TIMING: 1162800 CPU: 3452.95, 0.00301009/step Wall: 3452.95, 0.0030101/step, 3.20843 hours remaining, 208.628906 MB of memory in use. ENERGY: 1162800 719.0320 2076.8573 1940.8075 111.2989 -206410.7620 18083.3059 0.0000 0.0000 34534.5239 -148944.9367 301.5986 -183479.4606 -148846.8955 300.0178 108.6200 141.3818 557545.5939 9.0252 9.0313 PRESSURE: 1163000 201.613 86.292 -204.203 86.2921 -35.677 148.844 -204.202 148.844 -112.663 GPRESSURE: 1163000 257.792 183.593 -270.524 56.9882 -36.7846 72.1612 -109.739 119.291 -66.0845 PRESSAVG: 1163000 34.7229 -1.60614 -27.4942 -1.6061 -33.0529 46.9156 -27.4942 46.9156 1.93453 GPRESSAVG: 1163000 35.0367 -1.80646 -27.3855 -0.60519 -33.2062 45.9979 -25.9966 45.8733 1.96844 TIMING: 1163000 CPU: 3453.57, 0.00308496/step Wall: 3453.57, 0.00308496/step, 3.28805 hours remaining, 208.628906 MB of memory in use. ENERGY: 1163000 726.4917 2101.0532 1933.3899 107.5960 -205935.5576 17789.2613 0.0000 0.0000 34392.7837 -148884.9818 300.3607 -183277.7654 -148785.2956 299.6811 17.7578 51.6411 558050.8737 1.2015 1.2663 PRESSURE: 1163200 -58.7181 -237.544 8.72628 -237.544 16.0129 160.68 8.72546 160.679 55.1467 GPRESSURE: 1163200 50.9256 -280.758 34.4617 -230.777 -20.4654 156.255 6.26808 203.394 89.6117 PRESSAVG: 1163200 -41.6425 -102.467 -20.2127 -102.467 14.452 53.1444 -20.2127 53.1444 -26.5735 GPRESSAVG: 1163200 -40.4705 -104.038 -19.2942 -101.998 14.6032 52.8656 -20.7533 53.6227 -27.8808 TIMING: 1163200 CPU: 3454.17, 0.00302664/step Wall: 3454.17, 0.00302664/step, 3.22572 hours remaining, 208.628906 MB of memory in use. ENERGY: 1163200 790.1819 2067.4316 1937.5307 107.9365 -206030.9152 17762.5365 0.0000 0.0000 34493.5523 -148871.7458 301.2408 -183365.2981 -148777.1162 300.1806 4.1472 40.0239 557023.4576 -17.9213 -17.9161 PRESSURE: 1163400 222.145 -132.357 52.0216 -132.356 32.7037 -70.6537 52.0214 -70.6543 -155.591 GPRESSURE: 1163400 263.288 -130.573 -26.3275 -62.4751 60.2482 40.1216 14.1908 -68.4642 -126.722 PRESSAVG: 1163400 25.9531 -8.72921 -26.6354 -8.72922 -54.8269 35.0762 -26.6354 35.0762 -1.5939 GPRESSAVG: 1163400 25.5106 -7.01242 -27.2912 -8.70704 -53.8947 38.1114 -26.6049 33.9208 -2.04331 TIMING: 1163400 CPU: 3454.78, 0.00305246/step Wall: 3454.78, 0.00305246/step, 3.25307 hours remaining, 208.628906 MB of memory in use. ENERGY: 1163400 723.5563 2092.3581 1939.6387 115.7839 -206001.2889 17937.3341 0.0000 0.0000 34130.3245 -149062.2931 298.0686 -183192.6177 -148964.0179 299.3843 33.0860 65.6048 558880.3228 -10.1559 -10.1425 PRESSURE: 1163600 70.7027 -32.5001 -82.8917 -32.4996 -151.066 26.0493 -82.8907 26.0498 -157.7 GPRESSURE: 1163600 82.5943 -60.6045 -137.857 3.73783 -121.607 -25.0354 -65.7005 -1.14241 -95.2692 PRESSAVG: 1163600 -15.3117 -22.8358 -7.91347 -22.8358 7.12122 -7.4516 -7.91346 -7.45167 -17.7931 GPRESSAVG: 1163600 -15.695 -23.8119 -7.00177 -23.787 6.91726 -8.16942 -7.38873 -6.94802 -17.1557 TIMING: 1163600 CPU: 3455.4, 0.003079/step Wall: 3455.4, 0.003079/step, 3.28118 hours remaining, 208.628906 MB of memory in use. ENERGY: 1163600 762.3433 2158.7925 1953.3374 104.2451 -205996.2396 17742.2273 0.0000 0.0000 34379.7207 -148895.5733 300.2467 -183275.2940 -148798.7488 299.9628 -79.3546 -44.7606 559764.3268 -8.6612 -8.6445 PRESSURE: 1163800 -188.75 -163.973 -133.23 -163.972 104.279 -154.477 -133.229 -154.477 39.5357 GPRESSURE: 1163800 -186.507 -153 -149.062 -126.357 105.776 -134.633 -120.998 -85.9177 124.251 PRESSAVG: 1163800 -0.82943 -53.9972 -6.8625 -53.9972 54.0445 8.60967 -6.86239 8.60966 -71.0718 GPRESSAVG: 1163800 -1.33387 -53.6978 -7.66621 -52.1947 54.4787 8.90714 -6.27898 9.65904 -71.0408 TIMING: 1163800 CPU: 3456.01, 0.00304479/step Wall: 3456.01, 0.00304479/step, 3.24457 hours remaining, 208.628906 MB of memory in use. ENERGY: 1163800 758.7800 2104.4863 1934.5484 122.1053 -206220.0274 17919.4518 0.0000 0.0000 34368.3404 -149012.3151 300.1473 -183380.6556 -148916.3802 300.2289 -14.9783 14.5070 559099.8631 -5.9522 -5.9653 PRESSURE: 1164000 48.1726 71.3217 -47.4384 71.3212 -89.4444 -19.3903 -47.4371 -19.3896 30.6608 GPRESSURE: 1164000 91.5375 24.7349 -22.7759 40.2453 -50.2796 -69.4578 -75.949 8.44888 29.2207 PRESSAVG: 1164000 -11.0747 -38.3673 -83.9372 -38.3672 -2.13963 -7.78906 -83.9371 -7.78923 -10.2527 GPRESSAVG: 1164000 -10.2317 -39.1255 -83.4017 -38.5488 -2.82747 -9.9164 -83.7756 -6.6569 -10.9585 TIMING: 1164000 CPU: 3456.62, 0.00306285/step Wall: 3456.62, 0.00306285/step, 3.26364 hours remaining, 208.628906 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: 1164000 727.9414 2085.6754 1955.3595 124.4745 -206125.7740 17871.6973 0.0000 0.0000 34190.8643 -149169.7616 298.5973 -183360.6260 -149070.1902 299.6977 -3.5370 23.4928 559498.2275 -7.8223 -8.0059 PRESSURE: 1164200 -98.6491 119.095 -124.149 119.095 -109.014 -1.43646 -124.149 -1.43781 -83.3227 GPRESSURE: 1164200 -40.9381 48.2339 -79.149 176.272 -106.553 35.3102 -128.888 -33.3002 -48.7318 PRESSAVG: 1164200 39.1517 7.13955 -63.4144 7.1396 -5.83049 14.2917 -63.4144 14.2916 17.48 GPRESSAVG: 1164200 38.0116 6.08091 -63.1637 8.15141 -6.03207 16.1754 -63.5237 12.0763 18.3226 TIMING: 1164200 CPU: 3457.24, 0.00310952/step Wall: 3457.24, 0.00310952/step, 3.31319 hours remaining, 208.628906 MB of memory in use. ENERGY: 1164200 719.9195 2091.0007 1958.6623 106.5711 -205966.1668 17737.2505 0.0000 0.0000 34241.2441 -149111.5186 299.0373 -183352.7627 -149017.6141 299.3547 -96.9953 -65.4075 559344.9490 16.9337 16.7674 LDB: ============= START OF LOAD BALANCING ============== 3460.68 LDB: ============== END OF LOAD BALANCING =============== 3460.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3460.68 LDB: ============= START OF LOAD BALANCING ============== 3460.99 LDB: Largest compute 4821 load 0.033871 is 28.7% of average load 0.117994 LDB: Average compute 0.001713 is 1.5% of average load 0.117994 LDB: TIME 3460.99 LOAD: AVG 0.117994 MAX 0.195594 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.508 MB LDB: TIME 3460.99 LOAD: AVG 0.117994 MAX 0.195594 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.508 MB LDB: TIME 3460.99 LOAD: AVG 0.117994 MAX 0.195594 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.508 MB LDB: ============== END OF LOAD BALANCING =============== 3461 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3461 PRESSURE: 1164400 120.647 35.1222 -77.1432 35.1217 135.469 -113.489 -77.1416 -113.489 -49.9734 GPRESSURE: 1164400 147.931 210.376 -122.111 -16.1297 181.644 -46.6635 -113.861 -190.641 -27.062 PRESSAVG: 1164400 -18.4102 -9.67372 -57.9838 -9.67366 71.3395 -59.3936 -57.9839 -59.3936 -47.614 GPRESSAVG: 1164400 -18.3207 -6.35102 -58.3705 -11.5828 71.8471 -61.3427 -58.6439 -59.4302 -48.0027 TIMING: 1164400 CPU: 3457.87, 0.00313875/step Wall: 3457.87, 0.00313875/step, 3.34416 hours remaining, 206.246094 MB of memory in use. ENERGY: 1164400 719.7432 2051.6341 1941.6420 110.5922 -206338.9389 17968.8379 0.0000 0.0000 34387.2555 -149159.2341 300.3125 -183546.4895 -149057.8025 299.8779 68.7142 100.8379 557867.1300 1.7718 1.8412 PRESSURE: 1164600 -4.92265 -1.92707 -126.197 -1.92519 -69.6677 31.6692 -126.198 31.6707 -159.655 GPRESSURE: 1164600 54.4065 -102.569 -186.594 33.3042 -76.5051 66.7173 -70.6628 32.672 -112.015 PRESSAVG: 1164600 -16.4832 47.1237 -20.5752 47.1237 50.6499 28.6231 -20.5752 28.6231 -20.9193 GPRESSAVG: 1164600 -17.5585 46.1301 -20.9482 46.3372 50.7916 28.6046 -20.0746 28.6881 -19.8462 TIMING: 1164600 CPU: 3458.48, 0.0030709/step Wall: 3458.48, 0.0030709/step, 3.2717 hours remaining, 206.449219 MB of memory in use. ENERGY: 1164600 745.2033 2037.3617 1946.2772 111.8237 -205951.0984 17693.7984 0.0000 0.0000 34372.2243 -149044.4099 300.1812 -183416.6342 -148953.0437 299.7189 -78.0818 -44.7046 558477.0161 4.4158 4.4623 PRESSURE: 1164800 86.4103 -42.8021 123.928 -42.801 -21.2402 115.399 123.929 115.4 2.38672 GPRESSURE: 1164800 112.039 -37.6123 127.921 -51.5111 3.27655 95.4051 89.4579 169.141 36.6707 PRESSAVG: 1164800 -16.2703 -29.3711 -33.8455 -29.371 28.7238 -51.5927 -33.8456 -51.5927 -39.2935 GPRESSAVG: 1164800 -15.6358 -28.2645 -34.6458 -28.6977 28.5285 -48.6011 -34.4467 -51.4731 -39.6751 TIMING: 1164800 CPU: 3459.1, 0.00306313/step Wall: 3459.1, 0.00306313/step, 3.26326 hours remaining, 206.449219 MB of memory in use. ENERGY: 1164800 730.8803 2062.7517 1958.4736 116.0420 -205930.6083 17794.1363 0.0000 0.0000 34131.3188 -149137.0056 298.0773 -183268.3245 -149036.0549 299.3578 22.5190 50.6620 557581.6213 -8.9467 -8.9275 PRESSURE: 1165000 -97.0987 105.631 -145.39 105.632 11.281 70.0926 -145.389 70.0925 -140.444 GPRESSURE: 1165000 -20.3173 31.8051 -99.5826 101.751 23.7752 28.907 -196.337 6.35937 -132.882 PRESSAVG: 1165000 21.5004 -24.3968 1.66104 -24.3969 -17.481 -17.4088 1.66107 -17.4087 60.8163 GPRESSAVG: 1165000 22.0003 -25.0554 3.52774 -24.0867 -17.7938 -19.4424 2.40713 -16.553 60.4446 TIMING: 1165000 CPU: 3459.71, 0.00305006/step Wall: 3459.71, 0.00305006/step, 3.24916 hours remaining, 206.449219 MB of memory in use. ENERGY: 1165000 768.9877 2060.1310 1924.6203 124.0798 -205800.0679 17675.6377 0.0000 0.0000 34111.2238 -149135.3876 297.9018 -183246.6114 -149036.3813 299.0303 -75.4206 -43.1413 556556.3460 21.6119 21.5504 PRESSURE: 1165200 44.3785 -199.325 94.0896 -199.325 -125.81 64.242 94.0887 64.2429 46.8958 GPRESSURE: 1165200 87.0843 -140.539 36.1819 -250.811 -98.5477 48.3018 154.53 56.0484 70.3013 PRESSAVG: 1165200 45.7739 -20.9668 23.512 -20.9668 -50.4387 -48.9336 23.512 -48.9338 44.3967 GPRESSAVG: 1165200 45.0072 -21.1102 24.6105 -21.016 -51.103 -50.0945 21.8063 -49.49 45.0851 TIMING: 1165200 CPU: 3460.31, 0.00300333/step Wall: 3460.31, 0.00300333/step, 3.19921 hours remaining, 206.449219 MB of memory in use. ENERGY: 1165200 742.3982 2076.6258 1911.4850 108.0681 -205976.9133 17751.2180 0.0000 0.0000 34320.4651 -149066.6531 299.7292 -183387.1182 -148968.1970 299.9480 -11.5119 19.6126 556177.3810 13.2439 12.9964 PRESSURE: 1165400 25.7437 80.1979 -27.3992 80.1969 -115.573 -66.4971 -27.3995 -66.4972 162.588 GPRESSURE: 1165400 72.5051 -35.4446 -113.419 155.422 -81.8382 -55.5381 15.7669 -80.4437 186.695 PRESSAVG: 1165400 30.3597 -67.7285 -12.0044 -67.7284 -71.4835 39.0376 -12.0044 39.0377 19.7055 GPRESSAVG: 1165400 30.2437 -69.8662 -12.5127 -67.4434 -69.5752 40.9986 -9.45146 38.9213 18.2923 TIMING: 1165400 CPU: 3460.91, 0.00301914/step Wall: 3460.91, 0.00301914/step, 3.21589 hours remaining, 206.449219 MB of memory in use. ENERGY: 1165400 723.2070 2100.4291 1937.8504 116.6934 -206198.9514 17729.2473 0.0000 0.0000 34504.7102 -149086.8140 301.3382 -183591.5242 -148984.9014 300.1333 24.2527 59.1206 556968.1207 -7.1394 -7.0130 PRESSURE: 1165600 223.648 187.625 13.5438 187.625 -368.323 56.1834 13.5439 56.1819 -128.74 GPRESSURE: 1165600 211.269 151.361 36.9826 284.698 -300.013 116.739 27.946 56.4857 -86.2175 PRESSAVG: 1165600 -10.0469 -74.1878 43.0879 -74.1878 -40.2228 -3.02858 43.0879 -3.0287 36.2561 GPRESSAVG: 1165600 -10.2367 -71.4405 41.988 -76.5974 -39.3473 -1.87705 40.9485 -3.44949 35.5866 TIMING: 1165600 CPU: 3461.53, 0.00308233/step Wall: 3461.53, 0.00308233/step, 3.28303 hours remaining, 206.449219 MB of memory in use. ENERGY: 1165600 739.9859 2059.3739 1950.6297 117.9351 -206139.3872 17739.9711 0.0000 0.0000 34131.1820 -149400.3095 298.0761 -183531.4915 -149308.4655 298.9169 -91.1380 -58.3205 557703.7006 -4.6712 -4.6658 PRESSURE: 1165800 57.4193 9.35454 113.531 9.35504 28.6047 69.7604 113.53 69.7588 -104.74 GPRESSURE: 1165800 73.9686 66.8409 100.11 -15.8797 95.8971 116.92 105.465 13.6174 -87.0576 PRESSAVG: 1165800 19.1618 21.0879 15.4572 21.088 -49.925 52.806 15.4572 52.8061 61.8112 GPRESSAVG: 1165800 19.3538 20.0831 15.3293 23.9877 -51.2542 53.0128 16.2105 54.3692 62.6542 TIMING: 1165800 CPU: 3462.13, 0.0030212/step Wall: 3462.13, 0.0030212/step, 3.21775 hours remaining, 206.449219 MB of memory in use. ENERGY: 1165800 754.1668 2099.3185 1962.5619 110.7206 -206395.7552 17983.2813 0.0000 0.0000 34174.8043 -149310.9018 298.4571 -183485.7060 -149223.8429 299.0466 -6.2388 27.6027 558053.8914 10.3493 10.2513 PRESSURE: 1166000 39.8415 71.5798 -127.094 71.5789 -196.539 237.093 -127.093 237.093 212.016 GPRESSURE: 1166000 75.0559 19.9582 -112.93 172.328 -109.864 222.118 -138.632 281.452 190.8 PRESSAVG: 1166000 50.451 -8.42431 32.1906 -8.4243 -96.5036 48.4208 32.1905 48.4209 23.7969 GPRESSAVG: 1166000 50.0405 -9.23993 32.8713 -9.17078 -96.9825 46.9008 31.2713 46.991 24.1 TIMING: 1166000 CPU: 3462.74, 0.00304059/step Wall: 3462.74, 0.00304059/step, 3.23823 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: 1166000 739.1923 2096.4407 1916.8970 108.5257 -206361.4328 17850.1451 0.0000 0.0000 34289.9703 -149360.2617 299.4628 -183650.2320 -149265.5616 299.0605 18.4393 51.9972 556865.2734 -7.4186 -7.6140 PRESSURE: 1166200 -105.012 -17.2808 -42.807 -17.2816 37.4072 134.673 -42.8081 134.67 -263.41 GPRESSURE: 1166200 -75.6973 73.4165 -5.41943 -132.623 85.3619 -14.6206 -43.5782 165.09 -230.422 PRESSAVG: 1166200 30.4927 -38.2244 4.28252 -38.2244 -56.2681 31.6246 4.28255 31.6245 41.4206 GPRESSAVG: 1166200 30.6355 -36.8871 4.90199 -40.2162 -57.1679 31.1855 5.62936 32.3216 41.7515 TIMING: 1166200 CPU: 3463.35, 0.0030506/step Wall: 3463.35, 0.0030506/step, 3.24872 hours remaining, 206.449219 MB of memory in use. ENERGY: 1166200 746.1647 2127.0542 1914.5476 116.4732 -206122.9614 17647.2428 0.0000 0.0000 34096.6778 -149474.8012 297.7748 -183571.4789 -149379.7650 298.6563 -110.3383 -73.5858 557547.2978 5.2151 5.0731 PRESSURE: 1166400 -362.313 82.9759 124.72 82.9761 90.6928 -48.771 124.719 -48.7718 -111.279 GPRESSURE: 1166400 -336.526 125.319 151.064 44.9534 109.282 -24.1831 115.397 -35.7944 -68.1747 PRESSAVG: 1166400 34.2909 -12.0583 -24.6912 -12.0582 -23.8574 -32.6318 -24.6912 -32.6317 -62.7153 GPRESSAVG: 1166400 34.1578 -14.0719 -24.1432 -8.36054 -23.5031 -30.9856 -26.1392 -33.5869 -62.901 TIMING: 1166400 CPU: 3463.95, 0.0029949/step Wall: 3463.95, 0.0029949/step, 3.18924 hours remaining, 206.449219 MB of memory in use. ENERGY: 1166400 768.4238 2124.9951 1923.1695 121.7588 -205715.3350 17520.9548 0.0000 0.0000 33970.1983 -149285.8346 296.6702 -183256.0330 -149191.8006 298.5747 -127.6329 -98.4728 558754.0418 -17.4272 -17.4154 PRESSURE: 1166600 79.4372 72.4979 86.654 72.4976 100.17 -69.3433 86.6544 -69.3439 -73.8178 GPRESSURE: 1166600 143.055 18.5912 41.6539 91.3742 165.09 -141.734 101.633 -36.6628 -100.869 PRESSAVG: 1166600 26.875 -28.4109 -43.4934 -28.4109 44.0977 -86.2293 -43.4932 -86.2293 -51.6125 GPRESSAVG: 1166600 28.144 -26.8867 -45.0984 -30.4678 42.5073 -84.9428 -41.6482 -86.7977 -51.5634 TIMING: 1166600 CPU: 3464.55, 0.00300183/step Wall: 3464.55, 0.00300183/step, 3.19645 hours remaining, 206.449219 MB of memory in use. ENERGY: 1166600 724.2793 2044.8154 1939.3842 103.1867 -206137.3015 17835.3289 0.0000 0.0000 34154.3544 -149335.9526 298.2785 -183490.3070 -149237.7650 298.8520 35.2632 69.0923 558845.1576 6.4534 6.3626 PRESSURE: 1166800 -26.2431 -29.2834 123.58 -29.283 227.04 123.651 123.582 123.651 -106.28 GPRESSURE: 1166800 -19.3937 -38.238 71.0522 -75.6813 303.574 146.788 173.355 85.0654 -101.018 PRESSAVG: 1166800 -6.4334 50.671 5.75783 50.6711 80.8314 7.08562 5.75776 7.08562 -21.861 GPRESSAVG: 1166800 -7.53072 49.4087 7.62109 50.7747 82.6916 5.3725 4.58902 9.2129 -22.8654 TIMING: 1166800 CPU: 3465.15, 0.00301082/step Wall: 3465.15, 0.00301082/step, 3.20585 hours remaining, 206.449219 MB of memory in use. ENERGY: 1166800 738.7740 2124.8189 1944.8648 113.7949 -206037.9393 17806.5021 0.0000 0.0000 33998.4646 -149310.7201 296.9170 -183309.1847 -149216.3647 298.4815 31.5056 61.0540 558330.2555 17.5123 17.4318 PRESSURE: 1167000 -25.818 61.5014 7.3124 61.5023 -171.304 -280.249 7.31226 -280.249 48.7723 GPRESSURE: 1167000 15.4634 22.5171 -19.9754 77.1262 -184.441 -300.84 24.4797 -252.477 104.613 PRESSAVG: 1167000 -14.5051 -33.6491 27.0918 -33.6491 -7.20336 -27.962 27.0919 -27.9621 -7.4226 GPRESSAVG: 1167000 -14.3799 -32.0484 25.5958 -35.555 -8.37139 -25.937 28.4652 -31.4521 -6.54081 TIMING: 1167000 CPU: 3465.76, 0.00301563/step Wall: 3465.76, 0.00301563/step, 3.21081 hours remaining, 206.449219 MB of memory in use. ENERGY: 1167000 734.9523 2110.0429 1952.3923 120.6541 -206375.0810 17775.4448 0.0000 0.0000 34482.4873 -149199.1073 301.1441 -183681.5946 -149101.6750 298.8594 -49.4497 -21.4547 558032.5469 -9.7104 -9.7640 PRESSURE: 1167200 -193.681 118.247 -125.86 118.248 -282.798 55.6399 -125.859 55.6404 -65.0442 GPRESSURE: 1167200 -118.879 149.25 -70.2718 52.0256 -300.905 -16.0454 -192.063 132.76 -24.5532 PRESSAVG: 1167200 9.38507 -15.2155 -13.3776 -15.2155 -4.2705 -36.865 -13.3777 -36.865 -9.82822 GPRESSAVG: 1167200 9.19011 -14.4786 -15.4255 -15.5554 -3.32445 -37.5632 -13.7673 -35.809 -10.5533 TIMING: 1167200 CPU: 3466.36, 0.00304795/step Wall: 3466.36, 0.00304795/step, 3.24505 hours remaining, 206.449219 MB of memory in use. ENERGY: 1167200 795.8127 2066.1217 1920.9283 123.1606 -206083.7678 17626.8644 0.0000 0.0000 34306.3855 -149244.4946 299.6062 -183550.8801 -149156.9493 299.4417 -180.5078 -148.1125 556875.1044 -1.5712 -1.5626 PRESSURE: 1167400 -33.064 129.419 21.8713 129.42 -132.208 -76.7249 21.8719 -76.7254 84.0778 GPRESSURE: 1167400 90.6825 107.768 22.4462 153.722 -156.034 -99.9781 -26.4374 -66.7161 78.4031 PRESSAVG: 1167400 19.7254 7.98846 -3.67743 7.98839 -5.48081 16.7391 -3.67755 16.739 -7.24386 GPRESSAVG: 1167400 19.3661 5.97286 -2.03578 10.0828 -6.61757 15.2167 -4.61749 19.2797 -5.40026 TIMING: 1167400 CPU: 3466.96, 0.00299436/step Wall: 3466.96, 0.00299436/step, 3.18783 hours remaining, 206.449219 MB of memory in use. ENERGY: 1167400 753.2994 2125.6070 1931.7870 106.5135 -205926.7756 17636.6299 0.0000 0.0000 34121.8770 -149251.0618 297.9948 -183372.9388 -149156.8584 299.1226 -27.0647 4.3506 558120.8685 2.3336 2.4494 PRESSURE: 1167600 76.9952 19.0931 44.3161 19.0936 185.301 -179.791 44.3171 -179.791 28.7287 GPRESSURE: 1167600 85.8784 -1.91599 81.2475 -18.6487 254.651 -179.248 81.9669 -143.574 48.5258 PRESSAVG: 1167600 -25.903 3.10978 -5.52727 3.10981 -31.634 -55.2789 -5.52721 -55.279 54.9463 GPRESSAVG: 1167600 -25.4393 1.71989 -5.93957 3.65513 -30.7153 -54.9112 -4.52439 -54.8181 53.8138 TIMING: 1167600 CPU: 3467.56, 0.0029983/step Wall: 3467.56, 0.0029983/step, 3.19185 hours remaining, 206.449219 MB of memory in use. ENERGY: 1167600 739.4150 2126.6006 1941.1746 112.1902 -206115.7952 17899.2603 0.0000 0.0000 34106.3084 -149190.8461 297.8589 -183297.1545 -149091.1430 299.0345 97.0084 129.6851 557874.1448 -0.8635 -0.7802 PRESSURE: 1167800 124.045 -52.1391 -62.1159 -52.1387 218.078 82.7643 -62.1155 82.7636 277.872 GPRESSURE: 1167800 227.847 -58.6998 39.2633 -86.3262 218.803 -4.23788 -161.526 152.25 262.238 PRESSAVG: 1167800 28.8343 22.4554 23.1565 22.4555 -16.2401 -36.1193 23.1566 -36.1193 49.7514 GPRESSAVG: 1167800 29.8806 23.2221 23.6644 20.7452 -16.6006 -35.9458 22.1891 -38.7239 49.627 TIMING: 1167800 CPU: 3468.16, 0.00299704/step Wall: 3468.16, 0.00299704/step, 3.19035 hours remaining, 206.449219 MB of memory in use. ENERGY: 1167800 767.8762 2108.4844 1937.4574 120.7076 -207146.1514 18436.7254 0.0000 0.0000 34330.9328 -149443.9677 299.8206 -183774.9005 -149346.8012 298.7306 206.6651 236.2959 556817.1765 20.7818 20.9690 PRESSURE: 1168000 65.6282 12.6578 -13.8656 12.658 -140.43 80.8065 -13.8649 80.8059 -143.686 GPRESSURE: 1168000 118.083 59.4139 88.5907 70.7384 -173.087 -123.821 -50.427 59.6063 -75.5754 PRESSAVG: 1168000 -19.6379 46.8393 21.7999 46.8393 -67.2072 20.7211 21.7998 20.7211 14.6903 GPRESSAVG: 1168000 -18.9563 47.1158 21.574 47.4965 -66.1809 21.5612 22.1193 21.1195 13.0269 TIMING: 1168000 CPU: 3468.76, 0.00300018/step Wall: 3468.76, 0.00300018/step, 3.19352 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: 1168000 761.2793 2069.3432 1944.1823 117.2339 -206240.1348 17674.3269 0.0000 0.0000 34231.7154 -149442.0538 298.9541 -183673.7692 -149343.8465 297.9739 -72.8293 -43.5266 556396.9829 -24.0516 -24.0368 PRESSURE: 1168200 239.609 82.2016 -32.9162 82.2004 397.603 -180.475 -32.9151 -180.475 469.857 GPRESSURE: 1168200 252.97 62.4884 -44.5117 55.5919 458.917 -146.328 1.07017 -207.987 488.832 PRESSAVG: 1168200 -15.3028 -13.6925 -14.0834 -13.6925 12.5278 51.5474 -14.0834 51.5473 26.7234 GPRESSAVG: 1168200 -16.5018 -11.3479 -15.3347 -14.5514 11.951 51.0436 -14.9094 53.6333 28.467 TIMING: 1168200 CPU: 3469.36, 0.00300739/step Wall: 3469.36, 0.00300739/step, 3.20103 hours remaining, 206.449219 MB of memory in use. ENERGY: 1168200 721.0973 2119.7347 1954.9789 120.3399 -207326.5632 18338.3922 0.0000 0.0000 34348.4823 -149723.5378 299.9738 -184072.0201 -149624.9779 298.5658 369.0231 400.2396 555613.4877 7.9828 7.9721 LDB: ============= START OF LOAD BALANCING ============== 3472.8 LDB: ============== END OF LOAD BALANCING =============== 3472.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3472.8 LDB: ============= START OF LOAD BALANCING ============== 3473.1 LDB: Largest compute 4821 load 0.033251 is 28.2% of average load 0.117987 LDB: Average compute 0.001714 is 1.5% of average load 0.117987 LDB: TIME 3473.1 LOAD: AVG 0.117987 MAX 0.199986 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.223 MB LDB: TIME 3473.1 LOAD: AVG 0.117987 MAX 0.199986 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.223 MB LDB: TIME 3473.1 LOAD: AVG 0.117987 MAX 0.199986 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.223 MB LDB: ============== END OF LOAD BALANCING =============== 3473.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3473.11 PRESSURE: 1168400 28.6559 -27.6899 119.88 -27.6905 -112.372 201.474 119.88 201.475 -208.615 GPRESSURE: 1168400 65.1707 -101.624 55.7281 32.8868 -84.7609 167.834 62.6265 224.497 -166.907 PRESSAVG: 1168400 37.6865 33.1572 68.2839 33.1573 -13.9387 24.4956 68.2838 24.4956 -31.014 GPRESSAVG: 1168400 38.0295 30.3322 68.5697 35.3521 -13.4698 24.9954 67.7464 24.6383 -32.2402 TIMING: 1168400 CPU: 3469.98, 0.00308489/step Wall: 3469.98, 0.00308489/step, 3.28336 hours remaining, 206.246094 MB of memory in use. ENERGY: 1168400 720.5589 2126.3582 1941.4716 114.5466 -206278.8626 17713.8544 0.0000 0.0000 34102.4137 -149559.6591 297.8249 -183662.0728 -149464.6156 298.0869 -97.4437 -62.1657 557986.1820 -2.4221 -2.5602 PRESSURE: 1168600 174.915 -88.5012 8.48198 -88.5017 80.1427 -152.655 8.48232 -152.655 -111.214 GPRESSURE: 1168600 200.977 -102.436 54.9991 -21.5659 120.798 -146.46 -1.76623 -156.284 -72.0774 PRESSAVG: 1168600 48.1161 61.5289 -35.352 61.5289 22.199 -7.41428 -35.3519 -7.41435 -46.7092 GPRESSAVG: 1168600 48.3058 62.0057 -35.6913 60.0809 22.072 -7.41962 -32.3558 -7.98352 -46.624 TIMING: 1168600 CPU: 3470.58, 0.00301847/step Wall: 3470.58, 0.00301847/step, 3.2125 hours remaining, 206.449219 MB of memory in use. ENERGY: 1168600 752.1981 2089.3630 1931.3438 102.4487 -206714.9844 18022.2242 0.0000 0.0000 34323.2463 -149494.1603 299.7534 -183817.4066 -149402.7661 298.9599 47.9479 83.2326 557336.7655 7.8686 7.9180 PRESSURE: 1168800 -146.303 -24.6691 -20.31 -24.6699 -13.0183 -71.2741 -20.3104 -71.2741 -235.165 GPRESSURE: 1168800 -83.3781 -68.6791 -49.1634 -23.869 -43.8203 -61.1989 10.4048 -17.0147 -162.008 PRESSAVG: 1168800 44.2402 60.2858 30.9307 60.2856 50.3462 4.85026 30.9307 4.85022 -50.3109 GPRESSAVG: 1168800 42.7781 60.1499 30.1813 60.0536 50.1174 4.42503 29.8079 4.46712 -48.4333 TIMING: 1168800 CPU: 3471.19, 0.0030306/step Wall: 3471.19, 0.0030306/step, 3.22524 hours remaining, 206.449219 MB of memory in use. ENERGY: 1168800 727.1079 2097.0331 1925.3646 122.7227 -206018.5961 17530.2763 0.0000 0.0000 34050.3990 -149565.6923 297.3706 -183616.0914 -149472.2030 298.5035 -131.4955 -96.4020 558560.6053 14.7585 14.8207 PRESSURE: 1169000 408.798 -38.766 -74.9248 -38.7656 162.808 -40.5714 -74.9239 -40.5738 -14.0169 GPRESSURE: 1169000 391.382 -121.121 -45.0712 -84.4074 186.506 -132.975 -75.9473 40.8507 77.6948 PRESSAVG: 1169000 39.5761 -36.0351 11.7918 -36.0351 3.19869 -26.7059 11.7918 -26.706 -3.70569 GPRESSAVG: 1169000 39.6632 -37.6862 14.3015 -34.3976 3.82522 -27.6861 11.2188 -25.3269 -4.16402 TIMING: 1169000 CPU: 3471.8, 0.00305024/step Wall: 3471.8, 0.00305024/step, 3.24597 hours remaining, 206.449219 MB of memory in use. ENERGY: 1169000 768.4788 2108.8753 1954.2300 104.7428 -206600.5797 18032.9616 0.0000 0.0000 34270.3217 -149360.9696 299.2912 -183631.2912 -149263.6867 298.7447 185.8630 218.5275 556071.1057 13.0230 13.1081 PRESSURE: 1169200 -46.4798 -3.71144 30.4539 -3.7114 64.8918 -154.494 30.4541 -154.493 -120.065 GPRESSURE: 1169200 -82.7163 104.429 71.6496 -105.97 104.698 -118.306 19.9646 -147.595 -29.3717 PRESSAVG: 1169200 74.4578 -20.5329 -1.20684 -20.5328 -78.91 -14.0429 -1.20677 -14.043 -10.932 GPRESSAVG: 1169200 75.1442 -17.4572 -1.82214 -21.2812 -79.1157 -13.6787 -2.20552 -14.4461 -11.2226 TIMING: 1169200 CPU: 3472.41, 0.00305847/step Wall: 3472.41, 0.00305847/step, 3.25455 hours remaining, 206.449219 MB of memory in use. ENERGY: 1169200 757.3709 2124.0453 1949.6673 110.1478 -206484.7285 18007.2829 0.0000 0.0000 34069.6245 -149466.5899 297.5385 -183536.2144 -149365.9463 298.2276 -33.8843 -2.4634 557493.1521 -5.1281 -5.0647 PRESSURE: 1169400 -422.628 45.687 -26.218 45.687 -157.176 3.94418 -26.2206 3.9453 -218.327 GPRESSURE: 1169400 -355.99 54.605 -0.910866 0.429086 -120.301 -36.8203 -26.6179 9.35929 -219.423 PRESSAVG: 1169400 42.3255 -8.38212 57.6665 -8.38203 -41.2187 -15.247 57.6665 -15.2469 35.0486 GPRESSAVG: 1169400 42.7783 -8.58662 57.8691 -8.55382 -41.9131 -16.7658 58.3977 -14.2963 34.9133 TIMING: 1169400 CPU: 3473.02, 0.00306123/step Wall: 3473.02, 0.00306123/step, 3.25732 hours remaining, 206.449219 MB of memory in use. ENERGY: 1169400 741.6430 2059.8363 1944.6530 119.2173 -205816.9029 17422.2409 0.0000 0.0000 34085.9204 -149443.3919 297.6808 -183529.3123 -149352.9440 298.7405 -266.0438 -231.9046 558680.7870 12.0518 11.9262 PRESSURE: 1169600 28.3395 174.311 105.817 174.311 287.551 57.3923 105.818 57.3927 168.145 GPRESSURE: 1169600 37.8006 147.192 137.964 94.999 265.185 -77.7121 135.649 76.4549 281.179 PRESSAVG: 1169600 1.86351 -16.1445 -6.0839 -16.1445 -36.6339 -9.18161 -6.08386 -9.18161 15.9126 GPRESSAVG: 1169600 1.75753 -17.5915 -6.31797 -14.5111 -35.5118 -6.13206 -6.7708 -11.6044 15.2088 TIMING: 1169600 CPU: 3473.63, 0.0030344/step Wall: 3473.63, 0.0030344/step, 3.2286 hours remaining, 206.449219 MB of memory in use. ENERGY: 1169600 720.7204 2049.8380 1953.3766 109.6809 -206356.5786 17882.5663 0.0000 0.0000 34219.7245 -149420.6719 298.8494 -183640.3964 -149322.2188 298.3701 161.3452 194.7215 555940.1760 -6.2859 -6.1818 PRESSURE: 1169800 92.1315 -259.099 -65.5735 -259.099 -10.3594 -86.7508 -65.5734 -86.7514 454.601 GPRESSURE: 1169800 157.281 -210.162 -44.7456 -221.61 51.6968 -116.051 -101.92 -41.9152 419.54 PRESSAVG: 1169800 23.584 -41.3339 5.19548 -41.334 -1.16562 -0.727953 5.19537 -0.727964 -2.56888 GPRESSAVG: 1169800 24.7777 -40.9136 5.13739 -40.3856 -3.44864 -2.10057 4.09205 0.423357 -1.26923 TIMING: 1169800 CPU: 3474.24, 0.00301752/step Wall: 3474.24, 0.00301752/step, 3.21047 hours remaining, 206.449219 MB of memory in use. ENERGY: 1169800 724.5293 2060.9805 1958.0740 118.3404 -206552.7236 17951.8860 0.0000 0.0000 34354.1337 -149384.7797 300.0232 -183738.9134 -149290.3500 298.9064 178.7911 209.5059 556550.2683 6.6165 6.6866 PRESSURE: 1170000 212.725 -55.1663 100.066 -55.1659 -41.0437 -22.0824 100.067 -22.0811 238.175 GPRESSURE: 1170000 280.132 -35.277 67.3385 6.9322 8.83516 35.9132 163.768 -80.419 225.072 PRESSAVG: 1170000 -42.2474 -88.4513 19.7377 -88.4511 -11.4166 56.7796 19.7377 56.7795 49.3181 GPRESSAVG: 1170000 -43.2686 -87.6109 20.5443 -90.5599 -9.32213 58.0942 22.3178 57.5137 47.8341 TIMING: 1170000 CPU: 3474.84, 0.00302349/step Wall: 3474.84, 0.00302349/step, 3.21666 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: 1170000 755.0250 2049.7869 1965.6413 110.0548 -206415.6678 17959.4004 0.0000 0.0000 34052.0655 -149523.6940 297.3852 -183575.7595 -149426.8991 299.0430 136.6188 171.3463 554543.9911 -1.4486 -1.5856 PRESSURE: 1170200 -10.9089 42.1421 -94.4681 42.1419 -139.606 -6.58761 -94.4669 -6.58816 286.448 GPRESSURE: 1170200 -4.16064 20.0447 -62.5404 37.1137 -66.7436 -11.5114 -92.698 -52.9092 295.526 PRESSAVG: 1170200 -19.5849 -66.01 -28.5254 -66.01 -20.2122 78.468 -28.5255 78.468 78.248 GPRESSAVG: 1170200 -19.2079 -66.5903 -29.8974 -66.6667 -21.1096 76.3905 -27.8107 77.2039 78.3944 TIMING: 1170200 CPU: 3475.44, 0.00298732/step Wall: 3475.44, 0.00298732/step, 3.17801 hours remaining, 206.449219 MB of memory in use. ENERGY: 1170200 724.2983 2093.6390 1990.2253 112.7641 -206515.3526 17877.7587 0.0000 0.0000 34207.6211 -149509.0462 298.7437 -183716.6673 -149414.7433 298.9267 45.3110 74.8738 556420.6535 12.8170 12.6923 PRESSURE: 1170400 151.442 194.868 -46.8512 194.869 -81.7482 112.154 -46.8495 112.154 -260.795 GPRESSURE: 1170400 175.703 229.11 -47.3298 218.813 -80.8734 37.0089 -34.7623 88.736 -185.218 PRESSAVG: 1170400 -9.79867 36.62 -70.8667 36.62 -22.8985 31.7939 -70.8667 31.7938 33.5518 GPRESSAVG: 1170400 -9.56801 36.6863 -69.4295 37.716 -23.6965 32.9764 -73.804 32.7363 34.4617 TIMING: 1170400 CPU: 3476.04, 0.00303235/step Wall: 3476.04, 0.00303235/step, 3.22574 hours remaining, 206.449219 MB of memory in use. ENERGY: 1170400 779.6143 2111.2602 1942.9566 112.7092 -206257.9945 17698.3516 0.0000 0.0000 34042.7707 -149570.3319 297.3040 -183613.1025 -149475.7965 298.2734 -63.7005 -30.1297 556481.9803 0.2849 0.3991 PRESSURE: 1170600 117.502 -13.7271 -128.395 -13.7258 -114.944 -46.889 -128.395 -46.8902 -107.01 GPRESSURE: 1170600 91.817 -9.69772 -101.807 73.7089 -81.7067 -50.0402 -126.681 -11.2113 -13.3533 PRESSAVG: 1170600 -21.8559 37.0545 -38.6085 37.0546 18.3235 -16.1808 -38.6084 -16.1809 -21.4398 GPRESSAVG: 1170600 -22.7169 39.4405 -38.4831 37.4766 19.1439 -16.1056 -38.6965 -17.7596 -22.1227 TIMING: 1170600 CPU: 3476.65, 0.00301609/step Wall: 3476.65, 0.00301609/step, 3.20828 hours remaining, 206.449219 MB of memory in use. ENERGY: 1170600 727.1003 2084.4803 1943.8921 120.8821 -206346.5904 17797.2136 0.0000 0.0000 34162.6437 -149510.3782 298.3509 -183673.0220 -149410.1880 298.3442 -34.8175 -1.0810 557545.4725 -8.3241 -8.5652 PRESSURE: 1170800 -153.46 18.6134 -151.413 18.6141 58.2954 -135.84 -151.414 -135.84 283.475 GPRESSURE: 1170800 -135.356 26.4233 -116.984 -28.8697 111.271 -101.368 -113.01 -200.134 307.869 PRESSAVG: 1170800 5.2607 24.1732 -37.7382 24.1732 -26.5058 -55.6417 -37.7383 -55.6418 41.4668 GPRESSAVG: 1170800 6.29435 23.6625 -38.3765 21.2398 -27.236 -57.4981 -38.4602 -55.4534 41.5422 TIMING: 1170800 CPU: 3477.25, 0.00302668/step Wall: 3477.25, 0.00302668/step, 3.21938 hours remaining, 206.449219 MB of memory in use. ENERGY: 1170800 732.5658 2116.1826 1959.6465 101.2013 -205920.5966 17760.2115 0.0000 0.0000 33913.8700 -149336.9189 296.1783 -183250.7889 -149239.7362 298.1523 62.7701 94.5947 558239.4640 6.7405 6.8669 PRESSURE: 1171000 -63.1096 32.0675 -42.3836 32.0681 10.6209 -20.2426 -42.3833 -20.2421 -104.015 GPRESSURE: 1171000 7.70706 71.0438 -61.5726 47.3258 56.2 -80.6185 -113.349 24.9497 -112.305 PRESSAVG: 1171000 -23.1892 -8.12622 8.77763 -8.12619 -9.22041 -8.87444 8.77762 -8.87439 8.64136 GPRESSAVG: 1171000 -23.7203 -8.96443 7.98346 -7.87977 -9.33213 -7.88894 10.9677 -7.96601 9.32869 TIMING: 1171000 CPU: 3477.85, 0.00296889/step Wall: 3477.85, 0.00296889/step, 3.15775 hours remaining, 206.449219 MB of memory in use. ENERGY: 1171000 747.2968 2070.3843 1963.9706 116.2029 -206276.6308 17755.4849 0.0000 0.0000 34188.6725 -149434.6189 298.5782 -183623.2914 -149329.3911 298.8315 -52.1678 -16.1326 556488.3479 -7.9228 -7.9079 PRESSURE: 1171200 -23.8828 -141.914 -127.657 -141.913 -357.27 148.037 -127.657 148.036 -534.447 GPRESSURE: 1171200 18.6942 -143.042 -83.0309 -174.716 -347.893 174.96 -176.444 77.419 -491.929 PRESSAVG: 1171200 39.6938 -17.7442 -41.2691 -17.7442 -49.4733 -15.087 -41.269 -15.0871 -19.3177 GPRESSAVG: 1171200 38.8317 -18.467 -40.6822 -16.136 -49.1128 -16.6102 -41.2851 -15.1788 -18.6529 TIMING: 1171200 CPU: 3478.44, 0.00295322/step Wall: 3478.44, 0.00295322/step, 3.14092 hours remaining, 206.449219 MB of memory in use. ENERGY: 1171200 737.4217 2061.5646 1920.5978 105.7688 -205601.2953 17348.5756 0.0000 0.0000 34063.5984 -149363.7684 297.4859 -183427.3668 -149263.6818 299.3319 -305.1998 -273.7093 558201.6872 -9.6991 -9.6447 PRESSURE: 1171400 -226.179 94.5566 -33.978 94.5568 -111.25 -144.87 -33.9789 -144.87 -102.025 GPRESSURE: 1171400 -143.862 130.765 -19.0916 4.38542 -104.36 -144.492 -25.3177 -70.431 -90.263 PRESSAVG: 1171400 26.9464 42.2922 -0.53396 42.2924 -40.7775 -39.1587 -0.533891 -39.1587 7.50824 GPRESSAVG: 1171400 28.2377 42.8866 0.739137 42.411 -40.9721 -36.4231 -0.996758 -39.9647 5.93476 TIMING: 1171400 CPU: 3479.03, 0.00295813/step Wall: 3479.03, 0.00295813/step, 3.14598 hours remaining, 206.449219 MB of memory in use. ENERGY: 1171400 713.2374 2104.9808 1930.0686 115.3352 -205554.2104 17320.8892 0.0000 0.0000 33915.4263 -149454.2729 296.1919 -183369.6992 -149361.8987 298.6368 -146.4848 -112.8282 558592.4618 -2.1076 -2.2666 PRESSURE: 1171600 179.098 -53.209 -98.8821 -53.2104 -98.1176 109.026 -98.8818 109.028 119.361 GPRESSURE: 1171600 222.986 -38.0534 -71.6256 -121.573 -85.1878 138.005 -4.109 44.1859 165.573 PRESSAVG: 1171600 -11.2046 -27.8744 -9.99326 -27.8745 22.4524 -9.0441 -9.99322 -9.04415 -6.69103 GPRESSAVG: 1171600 -12.1829 -27.4488 -11.9526 -29.6314 22.9542 -7.56786 -7.93208 -10.3934 -6.03546 TIMING: 1171600 CPU: 3479.63, 0.00299922/step Wall: 3479.63, 0.00299922/step, 3.18951 hours remaining, 206.449219 MB of memory in use. ENERGY: 1171600 741.0620 2108.9472 1951.8971 109.1108 -206368.3772 17869.6795 0.0000 0.0000 33998.5793 -149589.1014 296.9180 -183587.6807 -149491.6779 297.8580 66.7804 101.1237 556589.7219 1.5189 1.5786 PRESSURE: 1171800 -89.3009 -58.8435 -73.6144 -58.8437 -47.0752 -81.8276 -73.6148 -81.8285 181.512 GPRESSURE: 1171800 -23.3128 -63.2945 -75.8095 -17.6427 -27.978 -76.4834 -84.0512 -143.557 217.052 PRESSAVG: 1171800 18.071 -12.4371 54.7168 -12.4372 -32.549 -11.6439 54.7168 -11.644 -1.07473 GPRESSAVG: 1171800 18.4161 -12.6699 55.4303 -9.47548 -32.0354 -13.1616 53.9004 -10.8283 -2.04189 TIMING: 1171800 CPU: 3480.22, 0.0029793/step Wall: 3480.22, 0.0029793/step, 3.16816 hours remaining, 206.449219 MB of memory in use. ENERGY: 1171800 747.0618 2113.0057 1962.0080 120.8572 -206472.9745 17808.1555 0.0000 0.0000 34241.7453 -149480.1409 299.0417 -183721.8861 -149396.4790 298.1383 15.0453 55.2537 555940.8512 -5.1842 -5.2204 PRESSURE: 1172000 -118.648 4.91424 -39.1197 4.91384 -1.79027 -45.0708 -39.1201 -45.0715 -185.166 GPRESSURE: 1172000 -101.764 6.74859 44.1942 -27.9317 33.9832 47.4769 -32.195 -183.432 -146.397 PRESSAVG: 1172000 68.0903 -23.3675 78.8698 -23.3677 5.99919 -8.62795 78.8697 -8.62792 -63.2214 GPRESSAVG: 1172000 68.8044 -24.621 79.4339 -23.9814 5.90403 -8.80121 78.4238 -9.23993 -63.296 TIMING: 1172000 CPU: 3480.82, 0.00295549/step Wall: 3480.82, 0.0029555/step, 3.14268 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: 1172000 733.4580 2159.0678 1944.5635 114.8554 -206205.6098 17669.7474 0.0000 0.0000 34334.0563 -149249.8613 299.8479 -183583.9177 -149157.9734 298.9541 -101.8682 -71.3924 556780.2563 3.6227 3.8041 PRESSURE: 1172200 -142.008 -102.632 147.678 -102.632 -32.8529 143.107 147.679 143.108 87.8353 GPRESSURE: 1172200 -115.784 -27.1714 164.235 -137.992 16.766 119.813 207.463 141.121 106.64 PRESSAVG: 1172200 -34.7585 -24.476 49.1726 -24.4759 50.0297 -6.19597 49.1727 -6.19598 -48.6962 GPRESSAVG: 1172200 -36.4352 -23.6267 50.0243 -24.8957 49.514 -8.00633 49.4601 -3.43721 -46.8849 TIMING: 1172200 CPU: 3481.41, 0.00294863/step Wall: 3481.41, 0.00294863/step, 3.13521 hours remaining, 206.449219 MB of memory in use. ENERGY: 1172200 728.5145 2107.2411 1944.5096 116.8336 -206185.2929 17811.3341 0.0000 0.0000 34309.7306 -149167.1293 299.6354 -183476.8599 -149058.9705 299.1955 -29.0084 2.5408 557396.6597 -11.1417 -11.2687 LDB: ============= START OF LOAD BALANCING ============== 3484.83 LDB: ============== END OF LOAD BALANCING =============== 3484.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3484.83 LDB: ============= START OF LOAD BALANCING ============== 3485.13 LDB: Largest compute 4821 load 0.031916 is 27.1% of average load 0.117963 LDB: Average compute 0.001714 is 1.5% of average load 0.117963 LDB: TIME 3485.13 LOAD: AVG 0.117963 MAX 0.201451 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.484 MB LDB: TIME 3485.13 LOAD: AVG 0.117963 MAX 0.201451 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.484 MB LDB: TIME 3485.13 LOAD: AVG 0.117963 MAX 0.201451 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.484 MB LDB: ============== END OF LOAD BALANCING =============== 3485.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3485.14 PRESSURE: 1172400 -78.2399 110.022 163.813 110.022 29.0247 -26.9555 163.813 -26.9562 218.318 GPRESSURE: 1172400 -96.5885 90.2834 116.697 135.064 77.9465 -63.1894 255.326 -49.9046 270.961 PRESSAVG: 1172400 -32.139 7.31997 76.6417 7.31995 39.5843 -31.6596 76.6417 -31.6595 -1.62633 GPRESSAVG: 1172400 -31.6145 5.27153 74.8695 6.73762 40.4537 -32.0191 76.6842 -31.4649 -2.55012 TIMING: 1172400 CPU: 3482.01, 0.0030309/step Wall: 3482.01, 0.0030309/step, 3.22252 hours remaining, 206.121094 MB of memory in use. ENERGY: 1172400 746.7831 2114.6060 1939.2245 114.2380 -206352.4555 17726.2944 0.0000 0.0000 34529.7525 -149181.5570 301.5569 -183711.3095 -149081.5124 299.7282 56.3677 84.1064 557171.4073 1.9396 2.0963 PRESSURE: 1172600 320.654 -11.3403 73.6865 -11.3398 191.344 59.1687 73.686 59.1687 240.008 GPRESSURE: 1172600 370.485 7.04828 109.305 52.2039 249.17 15.1203 54.656 127.23 213.056 PRESSAVG: 1172600 23.6985 -17.5097 30.7449 -17.5097 3.66769 16.6734 30.7449 16.6733 -27.5171 GPRESSAVG: 1172600 25.7646 -15.6083 33.7912 -15.819 2.16006 17.6298 28.5303 14.3753 -27.0743 TIMING: 1172600 CPU: 3482.61, 0.00298437/step Wall: 3482.61, 0.00298437/step, 3.17288 hours remaining, 206.121094 MB of memory in use. ENERGY: 1172600 728.2040 2139.8276 1949.5739 104.7706 -206486.5933 18275.7583 0.0000 0.0000 34258.7836 -149029.6754 299.1905 -183288.4590 -148931.9659 300.5043 250.6687 277.5703 556688.3539 -0.0503 0.2835 PRESSURE: 1172800 -187.92 51.2126 -13.8662 51.2135 -105.785 -179.262 -13.8664 -179.262 -60.8866 GPRESSURE: 1172800 -112.015 33.4755 -3.04334 -22.8668 -103.212 -145.651 -67.4825 -117.31 -41.9444 PRESSAVG: 1172800 21.585 40.6212 35.9768 40.6212 22.6359 -36.0313 35.9768 -36.0312 -12.6711 GPRESSAVG: 1172800 21.2952 40.5795 35.709 39.7333 24.2041 -35.0318 35.6097 -35.1072 -13.6646 TIMING: 1172800 CPU: 3483.2, 0.00296342/step Wall: 3483.2, 0.00296342/step, 3.15044 hours remaining, 206.121094 MB of memory in use. ENERGY: 1172800 763.7224 2079.4809 1920.8637 113.5037 -205959.1693 17712.9957 0.0000 0.0000 34319.1971 -149049.4058 299.7181 -183368.6029 -148954.9903 300.1000 -118.1971 -85.7236 558596.1151 10.5166 10.6116 PRESSURE: 1173000 -161.427 84.0913 55.8731 84.09 -16.7076 -61.4088 55.8732 -61.4084 -186.279 GPRESSURE: 1173000 -120.083 -32.075 68.5948 149.325 1.72536 -5.21322 78.8529 -70.3055 -152.256 PRESSAVG: 1173000 -77.6595 -11.0808 45.1856 -11.0808 56.878 -3.61299 45.1856 -3.61298 26.5836 GPRESSAVG: 1173000 -78.127 -13.6487 43.6386 -10.8958 55.8568 -5.12222 48.3983 -3.15995 27.7473 TIMING: 1173000 CPU: 3483.79, 0.00296925/step Wall: 3483.79, 0.00296925/step, 3.15648 hours remaining, 206.121094 MB of memory in use. ENERGY: 1173000 782.4863 2068.9090 1931.5695 120.1455 -205934.4086 17661.5906 0.0000 0.0000 34384.2182 -148985.4896 300.2859 -183369.7078 -148885.4314 299.8081 -121.4710 -90.2047 558202.5350 1.9340 1.8257 PRESSURE: 1173200 -103.729 -58.894 103.607 -58.8956 -156.84 6.87375 103.607 6.87423 -323.762 GPRESSURE: 1173200 -27.542 -105.874 220.19 -23.6075 -166.467 43.9252 93.5926 -23.7988 -310.333 PRESSAVG: 1173200 -16.7739 -13.8359 -5.43629 -13.8358 40.8462 1.84738 -5.43633 1.84739 -29.9792 GPRESSAVG: 1173200 -16.7585 -9.66096 -4.33003 -15.6692 41.1337 3.15909 -7.86227 0.535896 -30.0899 TIMING: 1173200 CPU: 3484.39, 0.00296206/step Wall: 3484.39, 0.00296206/step, 3.14867 hours remaining, 206.121094 MB of memory in use. ENERGY: 1173200 789.0403 2122.1698 1954.1329 101.1525 -206070.5013 17694.5912 0.0000 0.0000 34316.1115 -149093.3031 299.6911 -183409.4146 -149004.3267 300.0722 -194.7773 -168.1143 558072.3367 -1.9690 -1.9049 PRESSURE: 1173400 -173.853 -148.539 -102.52 -148.538 -169.684 -65.2009 -102.52 -65.2007 -253.955 GPRESSURE: 1173400 -111.296 -176.346 -186.954 -124.953 -109.555 -83.6084 1.67914 -110.576 -277.073 PRESSAVG: 1173400 63.2336 -34.1686 46.5756 -34.1687 -69.2048 65.9723 46.5756 65.9722 1.91692 GPRESSAVG: 1173400 63.8459 -36.4396 45.5511 -32.7728 -70.2732 67.6866 48.9573 65.4685 2.00565 TIMING: 1173400 CPU: 3484.98, 0.00297389/step Wall: 3484.98, 0.00297389/step, 3.16108 hours remaining, 206.121094 MB of memory in use. ENERGY: 1173400 728.8009 2110.4649 1964.0272 114.7886 -206003.4623 17568.1371 0.0000 0.0000 34432.1304 -149085.1131 300.7044 -183517.2435 -148984.7892 299.5823 -199.1640 -165.9744 557738.9460 -1.3514 -1.4739 PRESSURE: 1173600 113.658 -25.2183 64.6834 -25.2171 -58.4485 -42.105 64.6828 -42.1056 -157.892 GPRESSURE: 1173600 163.789 -49.6808 29.9887 -21.539 -37.6676 -41.7286 84.2887 -33.5392 -125.796 PRESSAVG: 1173600 29.0986 7.31104 21.4542 7.31101 23.4935 12.9679 21.4542 12.9679 -9.98226 GPRESSAVG: 1173600 28.2643 6.19866 21.3954 9.78407 24.9471 9.59268 20.5966 15.1828 -10.5371 TIMING: 1173600 CPU: 3485.58, 0.00297871/step Wall: 3485.58, 0.00297871/step, 3.16604 hours remaining, 206.121094 MB of memory in use. ENERGY: 1173600 725.7772 2158.7517 1946.5795 118.2829 -205978.8329 17556.2117 0.0000 0.0000 34285.9323 -149187.2977 299.4276 -183473.2300 -149093.9120 299.6865 -34.2275 0.1087 557002.7406 14.2033 14.2248 PRESSURE: 1173800 0.281593 -99.9917 54.1593 -99.9911 -65.8615 -2.14902 54.1586 -2.14794 -14.4332 GPRESSURE: 1173800 33.232 -42.1778 18.617 6.9839 -41.5182 -28.2894 88.5822 -19.9259 18.396 PRESSAVG: 1173800 40.0069 -18.3722 -5.35583 -18.3723 18.6861 -24.0077 -5.35572 -24.0078 -30.888 GPRESSAVG: 1173800 40.4016 -16.328 -4.97358 -19.9344 17.9169 -23.1274 -5.22119 -23.8012 -30.7888 TIMING: 1173800 CPU: 3486.18, 0.00299546/step Wall: 3486.18, 0.00299546/step, 3.18367 hours remaining, 206.121094 MB of memory in use. ENERGY: 1173800 730.7105 2135.4111 1948.2124 99.6856 -206262.3830 17747.4243 0.0000 0.0000 34267.0108 -149333.9283 299.2623 -183600.9391 -149237.9709 299.1582 -26.6710 3.3699 557353.7942 9.2683 9.1766 PRESSURE: 1174000 -99.2707 -16.7415 -11.9694 -16.7417 -324.686 -182.126 -11.969 -182.126 -186.583 GPRESSURE: 1174000 -88.7224 -60.2306 6.15646 10.297 -282.777 -81.8275 -4.51277 -259.229 -142.416 PRESSAVG: 1174000 5.05307 74.6027 -29.4136 74.6027 -18.4127 -45.5405 -29.4136 -45.5404 3.46552 GPRESSAVG: 1174000 4.31439 74.6544 -30.1152 73.9113 -17.2206 -45.8281 -29.8269 -46.3676 2.90959 TIMING: 1174000 CPU: 3486.78, 0.00299903/step Wall: 3486.78, 0.00299903/step, 3.1873 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: 1174000 735.4009 2115.1524 1971.5582 116.8563 -205854.3935 17512.9518 0.0000 0.0000 34135.5330 -149266.9409 298.1141 -183402.4739 -149172.2669 298.4694 -203.5131 -171.3050 558843.8168 -3.2980 -3.3322 PRESSURE: 1174200 -202.562 130.379 -55.4016 130.377 105.037 8.95632 -55.4008 8.95596 192.956 GPRESSURE: 1174200 -121.463 80.4085 -71.9385 134.329 112.97 -43.3046 -90.1179 119.246 209.165 PRESSAVG: 1174200 -62.9714 26.7832 -52.0117 26.7833 29.1665 -4.36803 -52.0117 -4.36797 38.1366 GPRESSAVG: 1174200 -61.5027 25.09 -51.0114 26.6343 27.5774 -6.4821 -51.6511 -3.69439 37.9857 TIMING: 1174200 CPU: 3487.38, 0.00301541/step Wall: 3487.38, 0.00301541/step, 3.20454 hours remaining, 206.121094 MB of memory in use. ENERGY: 1174200 752.9256 2113.8882 1964.1534 112.1142 -206502.2116 17934.2112 0.0000 0.0000 34223.4500 -149401.4690 298.8819 -183624.9190 -149308.6128 298.8027 31.8105 66.8907 557264.7064 1.4439 1.3534 PRESSURE: 1174400 -328.195 70.4543 -32.6893 70.4547 -277.833 -50.3688 -32.6892 -50.3705 235.777 GPRESSURE: 1174400 -239.478 129.638 -75.3991 40.8399 -258.809 3.81914 -86.44 12.1949 239.87 PRESSAVG: 1174400 -48.5822 22.8924 29.0659 22.8925 17.6216 -25.2457 29.0659 -25.2457 -8.24638 GPRESSAVG: 1174400 -48.8191 24.3375 28.1557 21.3057 19.1216 -23.863 31.0185 -27.5146 -9.02223 TIMING: 1174400 CPU: 3487.98, 0.00300374/step Wall: 3487.98, 0.00300374/step, 3.19198 hours remaining, 206.121094 MB of memory in use. ENERGY: 1174400 773.4114 2142.7408 1944.1389 112.7918 -206145.4378 17519.1678 0.0000 0.0000 34236.0895 -149417.0975 298.9923 -183653.1870 -149323.4653 298.8702 -123.4171 -86.1389 555729.5290 -13.0690 -12.9066 PRESSURE: 1174600 -26.5694 -57.0228 107.756 -57.0236 108.26 65.546 107.758 65.5443 156.803 GPRESSURE: 1174600 8.80463 -134.975 39.5902 38.2838 141.15 73.6535 163.556 55.7074 172.298 PRESSAVG: 1174600 44.3123 44.9233 -11.0996 44.9233 -64.0421 62.1242 -11.0996 62.1242 81.7448 GPRESSAVG: 1174600 43.7814 43.0449 -10.9184 48.0435 -66.0163 62.5587 -13.6667 63.8897 83.8959 TIMING: 1174600 CPU: 3488.58, 0.00299041/step Wall: 3488.58, 0.00299041/step, 3.17764 hours remaining, 206.121094 MB of memory in use. ENERGY: 1174600 762.0149 2098.2864 1939.8671 121.3043 -206535.9115 17781.2930 0.0000 0.0000 34346.3369 -149486.8087 299.9551 -183833.1456 -149391.0758 299.5539 79.4981 107.4174 555545.7416 20.6717 20.5536 PRESSURE: 1174800 -29.5082 0.0143081 -31.009 0.0144991 -188.298 13.4997 -31.0084 13.5005 -101.388 GPRESSURE: 1174800 -40.235 71.1819 66.4019 46.131 -49.8269 66.8293 -192.544 16.3112 -117.605 PRESSAVG: 1174800 -54.3684 -19.0235 -26.2839 -19.0234 -48.3863 9.29764 -26.2838 9.29758 34.0272 GPRESSAVG: 1174800 -54.9521 -17.4026 -27.1114 -19.1433 -47.1119 10.4229 -25.5931 8.02172 33.1276 TIMING: 1174800 CPU: 3489.17, 0.00297753/step Wall: 3489.17, 0.00297753/step, 3.16379 hours remaining, 206.121094 MB of memory in use. ENERGY: 1174800 754.3252 2144.1159 1935.9259 131.1978 -206541.9129 17761.3774 0.0000 0.0000 34340.3025 -149474.6682 299.9024 -183814.9708 -149376.9529 299.3571 -106.3978 -69.2222 556163.1572 -22.9092 -22.9788 PRESSURE: 1175000 75.9984 28.4242 59.6533 28.4248 187.368 30.1343 59.655 30.1351 147.494 GPRESSURE: 1175000 133.076 52.5624 73.2751 10.1487 193.251 95.7511 -12.8396 63.2631 184.917 PRESSAVG: 1175000 89.0043 33.0001 8.22901 33.0001 -26.375 2.17327 8.22894 2.17317 -5.90232 GPRESSAVG: 1175000 89.2269 32.5065 6.57998 32.9092 -26.0938 2.55722 10.5487 3.45371 -6.52771 TIMING: 1175000 CPU: 3489.77, 0.00296054/step Wall: 3489.77, 0.00296054/step, 3.14558 hours remaining, 206.121094 MB of memory in use. ENERGY: 1175000 761.9827 2127.2737 1936.8935 118.7442 -206577.9362 17917.6445 0.0000 0.0000 34088.7669 -149626.6306 297.7057 -183715.3975 -149530.4562 298.6762 136.9534 170.4145 554444.0350 18.9090 18.8685 PRESSURE: 1175200 -25.8643 96.663 93.0746 96.6626 100.433 -5.15237 93.0734 -5.15242 68.9108 GPRESSURE: 1175200 28.9652 113.823 134.921 132.745 99.7096 -70.9756 64.33 -39.3351 122.596 PRESSAVG: 1175200 16.591 -18.2088 -16.0523 -18.2088 -33.2254 -38.8963 -16.0523 -38.8964 5.85961 GPRESSAVG: 1175200 16.506 -18.3581 -12.4531 -18.9134 -34.173 -41.7071 -18.2414 -37.9053 6.41192 TIMING: 1175200 CPU: 3490.36, 0.00296521/step Wall: 3490.36, 0.00296521/step, 3.15037 hours remaining, 206.121094 MB of memory in use. ENERGY: 1175200 717.5832 2104.3506 1955.9475 118.6522 -206375.3109 17783.3421 0.0000 0.0000 34132.2482 -149563.1872 298.0854 -183695.4354 -149466.8277 298.5726 47.8267 83.7569 556559.5469 -3.5916 -3.7517 PRESSURE: 1175400 -152.197 222.927 -30.6599 222.928 -355.241 134.039 -30.6602 134.039 73.5056 GPRESSURE: 1175400 -92.7111 248.5 70.3185 210.824 -335.788 110.865 -86.2189 100.511 86.5013 PRESSAVG: 1175400 -22.1071 62.9573 -86.438 62.9573 -42.0395 1.605 -86.438 1.605 51.6976 GPRESSAVG: 1175400 -22.9805 63.6455 -90.4265 65.0208 -41.3709 0.434572 -84.4832 -0.608296 51.2532 TIMING: 1175400 CPU: 3490.96, 0.0029808/step Wall: 3490.96, 0.0029808/step, 3.16677 hours remaining, 206.121094 MB of memory in use. ENERGY: 1175400 747.8787 2151.0056 1950.3137 106.2612 -206047.0518 17541.3861 0.0000 0.0000 34007.4663 -149542.7402 296.9957 -183550.2066 -149446.4609 298.8047 -144.6439 -113.9994 557933.5850 -4.1497 -4.3661 PRESSURE: 1175600 -83.4299 81.6054 124.152 81.6041 -27.1346 -106.445 124.153 -106.443 -290.084 GPRESSURE: 1175600 -40.1695 110.943 107.69 138.306 -69.1661 -144.047 188.39 -43.3614 -193.63 PRESSAVG: 1175600 -17.6398 77.214 -16.0161 77.2141 20.9502 -10.6046 -16.0162 -10.6047 7.67676 GPRESSAVG: 1175600 -17.7045 77.4211 -14.1689 75.6922 20.6426 -9.75565 -16.0308 -8.8205 7.87253 TIMING: 1175600 CPU: 3491.55, 0.00298603/step Wall: 3491.55, 0.00298603/step, 3.17216 hours remaining, 206.121094 MB of memory in use. ENERGY: 1175600 734.2801 2203.9180 1925.6474 121.3071 -206190.1768 17511.5738 0.0000 0.0000 34233.5838 -149459.8666 298.9704 -183693.4504 -149362.9152 299.0075 -133.5495 -100.9884 556784.2358 3.6624 3.6035 PRESSURE: 1175800 -387.79 30.5777 -96.5527 30.5767 209.998 -46.7193 -96.5543 -46.7191 122.707 GPRESSURE: 1175800 -365.634 -14.4843 -60.6721 26.3098 253.486 -11.7452 -145.113 -100.65 157.764 PRESSAVG: 1175800 -49.4472 54.0876 -39.7425 54.0875 47.295 -39.2954 -39.7425 -39.2955 -7.49815 GPRESSAVG: 1175800 -48.0098 55.5791 -39.8599 53.1398 47.2891 -39.3848 -41.3129 -41.2759 -8.12051 TIMING: 1175800 CPU: 3492.15, 0.0029918/step Wall: 3492.15, 0.0029918/step, 3.17813 hours remaining, 206.121094 MB of memory in use. ENERGY: 1175800 756.6384 2117.6969 1944.1802 115.6944 -206451.7461 17942.4726 0.0000 0.0000 34234.0622 -149341.0015 298.9746 -183575.0637 -149249.2632 298.8203 -18.3615 15.2053 559035.4908 -3.2168 -2.9470 PRESSURE: 1176000 -149.407 -4.72146 -244.292 -4.72066 -12.8116 -5.1865 -244.292 -5.18559 227.594 GPRESSURE: 1176000 -131.906 32.5545 -202.882 -44.9577 59.1079 -123.607 -236.37 9.96947 240.733 PRESSAVG: 1176000 -33.8234 50.9541 -29.8932 50.9541 17.9668 -91.2025 -29.8932 -91.2026 27.994 GPRESSAVG: 1176000 -33.9978 50.6327 -30.9116 51.2058 18.3142 -89.248 -31.1063 -90.7497 27.3133 TIMING: 1176000 CPU: 3492.76, 0.00302709/step Wall: 3492.76, 0.00302709/step, 3.21545 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: 1176000 725.8032 2088.3676 1979.3707 110.0861 -206229.4950 17795.9498 0.0000 0.0000 34213.8780 -149316.0397 298.7983 -183529.9176 -149216.4846 299.2123 21.7917 55.9784 558101.3965 4.0458 3.8766 PRESSURE: 1176200 -42.5995 67.1478 84.737 67.1465 77.5281 104.344 84.7366 104.343 -159.627 GPRESSURE: 1176200 2.74332 89.8957 63.4677 63.5556 70.1392 56.5163 3.67467 139.433 -104.896 PRESSAVG: 1176200 -10.2214 59.1969 2.97413 59.197 4.86686 37.1879 2.97418 37.188 13.5121 GPRESSAVG: 1176200 -9.8616 58.3667 2.43337 59.3985 3.65025 35.5194 4.86938 37.6167 14.3831 TIMING: 1176200 CPU: 3493.36, 0.00301332/step Wall: 3493.36, 0.00301332/step, 3.20064 hours remaining, 206.121094 MB of memory in use. ENERGY: 1176200 749.4420 2161.1746 1940.6681 109.3477 -206251.6417 17798.1421 0.0000 0.0000 34121.2678 -149371.5995 297.9895 -183492.8672 -149269.5681 299.0443 -41.5661 -10.6711 558278.1098 2.7192 2.7239 LDB: ============= START OF LOAD BALANCING ============== 3496.79 LDB: ============== END OF LOAD BALANCING =============== 3496.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3496.79 LDB: ============= START OF LOAD BALANCING ============== 3497.1 LDB: Largest compute 4821 load 0.033763 is 28.6% of average load 0.117938 LDB: Average compute 0.001712 is 1.5% of average load 0.117938 LDB: TIME 3497.1 LOAD: AVG 0.117938 MAX 0.19565 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.305 MB LDB: TIME 3497.1 LOAD: AVG 0.117938 MAX 0.19565 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.367 MB LDB: TIME 3497.1 LOAD: AVG 0.117938 MAX 0.19565 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.367 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3497.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3497.11 PRESSURE: 1176400 -232.395 282.491 -52.5875 282.49 -55.2065 -81.7182 -52.5867 -81.7196 -78.1935 GPRESSURE: 1176400 -178.148 300.202 -98.4754 258.324 -41.0734 -68.8318 -21.6517 -32.3992 -36.6499 PRESSAVG: 1176400 -32.6886 75.2386 -10.8412 75.2386 7.90869 -10.913 -10.8412 -10.913 42.058 GPRESSAVG: 1176400 -34.3343 75.2932 -11.3244 75.4273 9.02661 -11.2653 -11.2223 -10.7881 42.6512 TIMING: 1176400 CPU: 3493.98, 0.00308497/step Wall: 3493.98, 0.00308497/step, 3.27658 hours remaining, 206.050781 MB of memory in use. ENERGY: 1176400 787.1336 2115.8062 1967.2070 112.8258 -206370.6818 17792.0884 0.0000 0.0000 34177.6961 -149417.9247 298.4823 -183595.6208 -149324.9278 298.4275 -121.9316 -85.2903 557732.4972 5.7594 5.7812 PRESSURE: 1176600 -59.1343 106.44 133.693 106.439 -189.92 99.2915 133.692 99.2907 50.6469 GPRESSURE: 1176600 -42.216 52.6945 174.826 114.001 -158.032 83.2603 122.009 128.99 91.1825 PRESSAVG: 1176600 -25.1954 88.8561 -3.35193 88.8561 19.2335 98.1478 -3.35197 98.1476 9.99006 GPRESSAVG: 1176600 -24.2717 89.6319 -1.5215 87.7629 20.1026 100.68 -3.64836 97.0176 8.25684 TIMING: 1176600 CPU: 3494.58, 0.00300041/step Wall: 3494.58, 0.00300041/step, 3.1866 hours remaining, 206.050781 MB of memory in use. ENERGY: 1176600 748.4195 2109.6919 1951.6245 118.3533 -206100.1455 17603.8665 0.0000 0.0000 34097.7435 -149470.4463 297.7841 -183568.1897 -149374.7495 298.4722 -66.1358 -36.3552 556626.4342 1.3427 1.3626 PRESSURE: 1176800 84.2232 -36.1994 -28.4354 -36.2 155.734 -51.1256 -28.4365 -51.125 32.1177 GPRESSURE: 1176800 120.855 29.5577 -75.9948 -165.68 125.78 -12.3754 7.2218 -62.5481 109.349 PRESSAVG: 1176800 -47.6061 -3.86091 -47.5546 -3.86091 12.6767 13.3119 -47.5545 13.3117 67.4737 GPRESSAVG: 1176800 -47.1537 -2.70808 -45.6849 -5.6569 11.6512 13.2596 -47.8656 12.5754 68.0704 TIMING: 1176800 CPU: 3495.17, 0.0029819/step Wall: 3495.17, 0.0029819/step, 3.16678 hours remaining, 206.050781 MB of memory in use. ENERGY: 1176800 765.0535 2101.1035 1953.7994 111.3732 -206371.8174 17867.9576 0.0000 0.0000 34243.5236 -149329.0066 299.0572 -183572.5302 -149237.4772 299.1195 90.6915 118.6612 555634.4085 10.8481 10.8560 PRESSURE: 1177000 -11.1092 -3.07256 -321.093 -3.07141 107.974 97.2824 -321.093 97.2839 -210.895 GPRESSURE: 1177000 30.5374 -20.9522 -181.737 35.1158 134.76 108.456 -342.783 144.773 -175.008 PRESSAVG: 1177000 -49.6408 -21.4622 -25.1867 -21.4622 21.9715 29.2027 -25.1867 29.2026 15.5513 GPRESSAVG: 1177000 -49.6909 -21.389 -26.8272 -20.0917 21.8493 27.3967 -24.3104 30.1137 15.0156 TIMING: 1177000 CPU: 3495.76, 0.00295343/step Wall: 3495.76, 0.00295343/step, 3.13638 hours remaining, 206.050781 MB of memory in use. ENERGY: 1177000 756.5907 2086.9037 1958.9829 120.7194 -206438.3131 17827.8292 0.0000 0.0000 34237.8943 -149449.3928 299.0080 -183687.2872 -149356.1382 298.4431 -38.0099 -3.2369 556073.0707 -4.0393 -4.2753 PRESSURE: 1177200 -85.1776 40.0484 -75.6933 40.0484 -35.0681 24.6772 -75.6934 24.6763 86.0353 GPRESSURE: 1177200 -119.626 18.0714 -114.23 -8.00601 42.311 67.3037 20.8816 24.5542 147.402 PRESSAVG: 1177200 8.85099 0.352555 -101.86 0.352585 -10.6522 -6.96289 -101.86 -6.9629 -18.6376 GPRESSAVG: 1177200 6.34684 -0.48265 -100.967 2.14621 -9.3429 -6.62063 -102.997 -6.8874 -17.5871 TIMING: 1177200 CPU: 3496.35, 0.00295659/step Wall: 3496.35, 0.00295659/step, 3.13957 hours remaining, 206.050781 MB of memory in use. ENERGY: 1177200 790.9292 2074.7971 1914.3865 107.9150 -205949.4312 17656.6889 0.0000 0.0000 34012.9860 -149391.7285 297.0439 -183404.7145 -149291.3195 299.5802 -11.4035 23.3622 555595.4286 -6.8129 -6.8610 PRESSURE: 1177400 -252.9 71.4014 -126.767 71.4015 75.4935 135.72 -126.766 135.719 -187.519 GPRESSURE: 1177400 -194.969 8.02249 -101.39 46.7941 88.2129 56.1107 -177.562 174.013 -155.996 PRESSAVG: 1177400 0.89568 19.4994 -20.7356 19.4994 35.9543 6.76211 -20.7356 6.76213 1.69057 GPRESSAVG: 1177400 2.25334 17.3174 -19.8416 18.7973 35.2367 6.23754 -20.294 5.75018 1.30647 TIMING: 1177400 CPU: 3496.95, 0.00296699/step Wall: 3496.95, 0.00296699/step, 3.15044 hours remaining, 206.050781 MB of memory in use. ENERGY: 1177400 763.4839 2143.7715 1911.7516 128.8381 -206346.0263 17789.9601 0.0000 0.0000 34325.8034 -149282.4177 299.7758 -183608.2210 -149184.3527 298.7886 -121.6418 -87.5838 557747.0599 12.8469 12.9322 PRESSURE: 1177600 296.636 -39.1272 -54.988 -39.1256 111.798 11.9536 -54.9881 11.9535 70.622 GPRESSURE: 1177600 312.665 -49.2049 -17.7704 1.89551 159.303 -16.5897 -69.0325 30.875 95.9574 PRESSAVG: 1177600 -89.8681 29.7773 -11.3288 29.7773 91.4021 -31.6723 -11.3288 -31.6724 -18.5564 GPRESSAVG: 1177600 -89.3894 31.0356 -12.6311 28.827 90.7966 -30.3952 -10.3973 -29.2645 -18.179 TIMING: 1177600 CPU: 3497.54, 0.00296103/step Wall: 3497.54, 0.00296103/step, 3.14396 hours remaining, 206.050781 MB of memory in use. ENERGY: 1177600 740.1224 2049.9838 1934.6057 119.1608 -206575.2734 18067.6476 0.0000 0.0000 34454.8141 -149208.9390 300.9025 -183663.7531 -149105.9857 299.4097 159.6853 189.3085 556737.2036 -5.6741 -5.5906 PRESSURE: 1177800 -11.4706 -113.95 66.0821 -113.948 -45.6644 -148.587 66.0803 -148.586 -30.4508 GPRESSURE: 1177800 37.3408 -122.547 15.7782 -151.217 63.1117 -147.555 104.27 -98.623 -85.5089 PRESSAVG: 1177800 -51.6848 25.017 -2.70545 25.017 51.3423 -2.01536 -2.70548 -2.01547 10.8903 GPRESSAVG: 1177800 -52.4446 24.8794 -2.7203 24.9317 51.5129 -0.742289 -2.44595 -4.62069 11.0685 TIMING: 1177800 CPU: 3498.14, 0.00300144/step Wall: 3498.14, 0.00300144/step, 3.18669 hours remaining, 206.050781 MB of memory in use. ENERGY: 1177800 724.9096 2176.8017 1930.1828 105.7892 -206617.8956 17955.9454 0.0000 0.0000 34395.0235 -149329.2434 300.3803 -183724.2669 -149229.6596 299.5263 -29.1953 4.9812 557651.9219 3.5159 3.3789 PRESSURE: 1178000 172.002 66.3994 -0.698359 66.3981 28.7046 -87.3358 -0.698086 -87.3355 192.112 GPRESSURE: 1178000 153.089 -4.55325 -1.45879 80.4816 78.8195 -144.968 -75.98 -29.1671 247.145 PRESSAVG: 1178000 -50.8966 44.4007 -33.8894 44.4007 24.8549 27.7355 -33.8894 27.7357 -18.7456 GPRESSAVG: 1178000 -49.797 41.6399 -33.7391 45.8681 25.1884 25.8419 -33.5709 29.635 -20.3795 TIMING: 1178000 CPU: 3498.75, 0.00303845/step Wall: 3498.75, 0.00303845/step, 3.22582 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: 1178000 786.1224 2081.4597 1951.1196 103.5607 -206447.1757 18008.2689 0.0000 0.0000 34239.9777 -149276.6668 299.0262 -183516.6445 -149187.8401 299.2122 130.9396 159.6845 557554.1422 -14.9291 -14.9960 PRESSURE: 1178200 -66.6449 -28.7924 281.425 -28.7915 -53.9764 155.103 281.425 155.105 124.83 GPRESSURE: 1178200 31.781 -18.1267 256.759 -62.9 -55.506 117.794 316.236 184.455 112.478 PRESSAVG: 1178200 11.2583 -6.56398 47.4084 -6.56398 19.4028 53.1447 47.4083 53.1448 1.00727 GPRESSAVG: 1178200 10.7265 -3.9311 45.9651 -8.44812 19.7964 54.2486 47.0851 51.9642 1.33055 TIMING: 1178200 CPU: 3499.35, 0.00299914/step Wall: 3499.35, 0.00299914/step, 3.18392 hours remaining, 206.050781 MB of memory in use. ENERGY: 1178200 759.6080 2071.3994 1917.0316 109.7388 -206151.6226 17867.4715 0.0000 0.0000 34281.4106 -149144.9628 299.3881 -183426.3734 -149045.4739 299.5544 1.4029 29.5843 558541.2019 10.5561 10.6178 PRESSURE: 1178400 -78.0977 57.5333 152.532 57.5342 -79.1662 325.271 152.533 325.271 -252.345 GPRESSURE: 1178400 -72.0817 33.7762 96.615 -8.80317 -59.1517 322.252 123.314 424.7 -178.488 PRESSAVG: 1178400 0.429029 -1.63356 36.1601 -1.63372 -10.9945 79.5818 36.1601 79.5817 -45.8901 GPRESSAVG: 1178400 -0.242229 0.397376 36.5595 -2.31864 -11.2717 78.1655 35.9166 79.8156 -44.9506 TIMING: 1178400 CPU: 3499.96, 0.00304441/step Wall: 3499.96, 0.00304441/step, 3.23181 hours remaining, 206.050781 MB of memory in use. ENERGY: 1178400 769.1080 2149.3454 1938.5650 113.3272 -205569.7355 17400.8307 0.0000 0.0000 34358.9030 -148839.6562 300.0648 -183198.5593 -148740.2538 299.5905 -136.5362 -103.2403 557603.0346 -18.8185 -18.8215 PRESSURE: 1178600 36.8944 94.0225 -154.272 94.0227 -106.695 103.498 -154.272 103.498 -224.442 GPRESSURE: 1178600 96.5593 44.8001 -212.092 153.236 -81.4093 128.458 -99.6337 137.7 -213.178 PRESSAVG: 1178600 9.84131 6.85695 4.55943 6.85692 0.0222645 55.6512 4.55929 55.6512 -11.0081 GPRESSAVG: 1178600 10.7248 6.51427 5.93699 7.77898 0.756853 54.231 4.53893 56.6948 -12.6245 TIMING: 1178600 CPU: 3500.56, 0.0030251/step Wall: 3500.56, 0.0030251/step, 3.21115 hours remaining, 206.050781 MB of memory in use. ENERGY: 1178600 738.9122 2097.2850 1925.8865 117.9780 -205888.5848 17600.4170 0.0000 0.0000 34342.7277 -149065.3784 299.9236 -183408.1062 -148968.5100 299.4045 -98.0808 -66.0095 557477.7815 -0.3815 -0.3809 PRESSURE: 1178800 91.8163 144.815 205.774 144.814 -231.752 49.5547 205.774 49.5545 383.274 GPRESSURE: 1178800 137.113 142.621 220.437 166.95 -221.062 129.785 248.947 -10.5191 413.666 PRESSAVG: 1178800 -51.9355 44.3491 -33.6632 44.349 -31.6072 9.88151 -33.6632 9.88158 50.216 GPRESSAVG: 1178800 -52.4334 43.5338 -33.5372 45.8132 -31.7688 11.5537 -34.1053 7.9886 50.2257 TIMING: 1178800 CPU: 3501.16, 0.00298895/step Wall: 3501.16, 0.00298895/step, 3.17261 hours remaining, 206.050781 MB of memory in use. ENERGY: 1178800 759.2342 2089.9927 1958.9369 114.5683 -206106.5605 18027.5758 0.0000 0.0000 34173.0956 -148983.1570 298.4421 -183156.2526 -148890.7692 299.9892 81.1125 109.9056 558506.4244 -11.1089 -11.3255 PRESSURE: 1179000 -1.77907 13.6884 -234.421 13.688 4.44868 35.7747 -234.421 35.774 97.6983 GPRESSURE: 1179000 9.89567 9.99431 -136.526 82.0216 74.9916 -15.648 -217.126 -14.4228 122.629 PRESSAVG: 1179000 -40.776 47.7861 -44.6264 47.786 -66.0447 32.7554 -44.6265 32.7553 121.083 GPRESSAVG: 1179000 -40.7049 46.39 -45.273 47.5492 -66.4944 32.062 -43.4454 33.8484 121.653 TIMING: 1179000 CPU: 3501.75, 0.0029591/step Wall: 3501.75, 0.0029591/step, 3.14076 hours remaining, 206.050781 MB of memory in use. ENERGY: 1179000 722.2709 2081.3213 1946.9725 119.1523 -205738.9192 17784.2870 0.0000 0.0000 34243.4882 -148841.4269 299.0569 -183084.9152 -148741.4162 300.2147 33.4560 69.1722 558341.8854 4.7542 4.8177 PRESSURE: 1179200 -99.022 -75.0598 -38.4195 -75.058 -142.549 9.43402 -38.4192 9.43365 159.968 GPRESSURE: 1179200 -30.4161 -43.8059 -31.9197 -90.0339 -156.943 -86.9936 -48.368 81.5628 203.893 PRESSAVG: 1179200 27.8718 25.9361 -28.3979 25.9362 47.4635 -41.5704 -28.3979 -41.5703 -32.7565 GPRESSAVG: 1179200 29.2998 25.339 -27.7149 25.8872 46.6393 -42.5032 -29.2624 -40.7863 -33.78 TIMING: 1179200 CPU: 3502.35, 0.00299104/step Wall: 3502.35, 0.00299104/step, 3.17449 hours remaining, 206.050781 MB of memory in use. ENERGY: 1179200 744.2009 2082.3986 1944.0497 115.2284 -205572.8423 17541.4042 0.0000 0.0000 34349.5933 -148795.9671 299.9835 -183145.5605 -148702.2304 299.3353 -27.2009 5.5112 559100.4966 14.1929 14.0530 PRESSURE: 1179400 -235.462 -148.925 -44.0206 -148.925 -7.72128 -14.6228 -44.0204 -14.6244 -233.698 GPRESSURE: 1179400 -194.837 -111.784 -88.7169 -123.655 8.23602 57.4395 -76.8874 -89.8754 -181.723 PRESSAVG: 1179400 -0.212556 -12.5721 -22.4513 -12.5722 -14.1668 -17.6924 -22.4513 -17.6924 18.9617 GPRESSAVG: 1179400 -2.39049 -11.662 -23.5132 -12.6766 -12.8537 -16.4197 -22.9334 -19.2919 19.5955 TIMING: 1179400 CPU: 3502.95, 0.00299369/step Wall: 3502.95, 0.00299369/step, 3.17714 hours remaining, 206.050781 MB of memory in use. ENERGY: 1179400 760.6520 2056.4772 1926.1100 121.5348 -205757.1260 17631.0291 0.0000 0.0000 34313.2799 -148948.0430 299.6664 -183261.3229 -148849.6659 300.1210 -158.9601 -122.7747 559011.5563 1.5275 1.4504 PRESSURE: 1179600 95.5823 -101.524 253.227 -101.524 -36.8556 -50.7804 253.225 -50.7816 188.115 GPRESSURE: 1179600 176.977 -177.913 212.964 -87.1767 -8.25142 -151.526 209.756 57.8545 170.274 PRESSAVG: 1179600 89.0694 -28.7344 48.0617 -28.7345 -24.6861 -5.42108 48.0617 -5.42116 -71.2616 GPRESSAVG: 1179600 90.5197 -27.8121 48.5079 -28.3652 -25.7419 -4.61788 46.9411 -4.97311 -72.1011 TIMING: 1179600 CPU: 3503.55, 0.00298779/step Wall: 3503.55, 0.00298779/step, 3.17071 hours remaining, 206.050781 MB of memory in use. ENERGY: 1179600 730.0103 2116.6567 1944.8663 113.2064 -206287.5906 17946.1246 0.0000 0.0000 34509.4555 -148927.2707 301.3797 -183436.7262 -148827.7090 300.2479 82.2805 112.9998 557955.0791 -2.2927 -2.4411 PRESSURE: 1179800 184.549 -125.466 -6.59141 -125.466 -107.984 87.0067 -6.59301 87.0071 -2.94816 GPRESSURE: 1179800 138.799 -115.992 -77.8605 -46.2395 -32.9732 29.7396 28.0029 192.073 67.2397 PRESSAVG: 1179800 32.9375 7.8898 22.4246 7.88982 17.6408 38.1852 22.4245 38.1853 -57.6084 GPRESSAVG: 1179800 31.5674 8.47014 20.2601 5.39508 18.7008 38.6881 24.7761 39.5709 -57.0497 TIMING: 1179800 CPU: 3504.15, 0.00300743/step Wall: 3504.15, 0.00300743/step, 3.19138 hours remaining, 206.050781 MB of memory in use. ENERGY: 1179800 777.4338 2121.1208 1943.7469 115.1912 -206458.4775 17893.3871 0.0000 0.0000 34437.0105 -149170.5872 300.7470 -183607.5977 -149078.8996 299.4530 24.5391 57.6885 557300.8167 -2.3434 -2.2605 PRESSURE: 1180000 10.4435 -110.272 -2.83086 -110.275 -82.979 9.70459 -2.83053 9.70375 19.5773 GPRESSURE: 1180000 68.1263 -110.591 -89.8041 -114.09 5.31612 62.9205 1.13186 18.0624 -33.3953 PRESSAVG: 1180000 23.8337 -35.4831 -29.5199 -35.4832 5.14463 -51.6253 -29.5199 -51.6254 -12.6859 GPRESSAVG: 1180000 24.7867 -37.352 -27.6442 -34.614 3.83954 -53.7151 -29.3741 -50.9178 -12.3951 TIMING: 1180000 CPU: 3504.75, 0.00299359/step Wall: 3504.75, 0.00299359/step, 3.17653 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: 1180000 746.6152 2099.8250 1928.1301 102.0532 -206155.5821 17863.8132 0.0000 0.0000 34157.5916 -149257.5539 298.3067 -183415.1455 -149155.1403 298.4044 -17.6527 13.3490 558081.7425 5.4308 5.4104 PRESSURE: 1180200 142.9 -57.6622 -90.7522 -57.6636 -80.9654 23.6505 -90.7529 23.6518 -0.871949 GPRESSURE: 1180200 161.262 -15.291 -150.716 -27.2639 -29.1653 29.0281 -16.9731 35.7371 31.2621 PRESSAVG: 1180200 80.4859 -26.8677 -8.14553 -26.8677 -32.5302 -2.68103 -8.14554 -2.68094 -49.3674 GPRESSAVG: 1180200 81.9666 -25.4085 -10.9425 -26.6107 -33.2273 -1.82523 -8.49858 -3.26179 -50.2083 TIMING: 1180200 CPU: 3505.35, 0.00301312/step Wall: 3505.35, 0.00301312/step, 3.19709 hours remaining, 206.050781 MB of memory in use. ENERGY: 1180200 735.8505 2071.2969 1923.2363 111.1629 -206082.6267 17763.1463 0.0000 0.0000 34082.4146 -149395.5191 297.6502 -183477.9338 -149297.3623 298.9446 20.3541 54.4530 558082.6378 -0.4706 -0.4897 LDB: ============= START OF LOAD BALANCING ============== 3508.78 LDB: ============== END OF LOAD BALANCING =============== 3508.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3508.78 LDB: ============= START OF LOAD BALANCING ============== 3509.08 LDB: Largest compute 4821 load 0.033323 is 28.2% of average load 0.117968 LDB: Average compute 0.001716 is 1.5% of average load 0.117968 LDB: TIME 3509.08 LOAD: AVG 0.117968 MAX 0.196299 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.977 MB LDB: TIME 3509.08 LOAD: AVG 0.117968 MAX 0.196299 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.977 MB LDB: TIME 3509.08 LOAD: AVG 0.117968 MAX 0.196299 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.977 MB LDB: ============== END OF LOAD BALANCING =============== 3509.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3509.09 PRESSURE: 1180400 215.042 -135.018 -13.5797 -135.018 -158.889 -215.73 -13.5786 -215.731 -123.955 GPRESSURE: 1180400 173.408 -97.0927 -95.9354 -172.748 -82.2306 -117.941 21.3342 -222.69 -60.4625 PRESSAVG: 1180400 42.6713 -75.4545 -23.5587 -75.4546 -17.915 -8.95884 -23.5588 -8.95883 -54.6227 GPRESSAVG: 1180400 41.4917 -76.6255 -22.0442 -76.0591 -17.3526 -8.6748 -25.0865 -9.53214 -53.9463 TIMING: 1180400 CPU: 3505.96, 0.00305547/step Wall: 3505.96, 0.00305547/step, 3.24185 hours remaining, 205.937500 MB of memory in use. ENERGY: 1180400 760.6981 2092.7337 1922.4062 106.6456 -206447.9458 17905.4677 0.0000 0.0000 34217.2099 -149442.7846 298.8274 -183659.9945 -149347.7646 298.6845 -22.6009 10.2383 557334.3405 -9.9554 -9.9357 PRESSURE: 1180600 50.2175 49.2918 24.4299 49.2918 -291.954 33.7883 24.429 33.7879 50.7461 GPRESSURE: 1180600 60.825 34.9259 5.39683 -0.277765 -295.413 45.9565 -23.0001 31.8054 127.018 PRESSAVG: 1180600 56.6283 12.8694 -9.46177 12.8694 -57.1113 -8.03701 -9.4618 -8.03709 0.143134 GPRESSAVG: 1180600 56.8857 12.4671 -9.47679 13.1895 -57.8777 -9.14639 -8.42163 -9.65389 1.33608 TIMING: 1180600 CPU: 3506.56, 0.0030201/step Wall: 3506.56, 0.0030201/step, 3.20415 hours remaining, 205.937500 MB of memory in use. ENERGY: 1180600 768.0871 2026.5511 1907.8403 105.4782 -206151.9767 17911.9743 0.0000 0.0000 34083.1287 -149348.9169 297.6564 -183432.0456 -149250.6708 298.4957 -63.6636 -35.8565 558993.1657 -0.1133 0.1147 PRESSURE: 1180800 -229.158 -33.4146 -35.9698 -33.4143 91.5768 12.5762 -35.9688 12.5746 -67.8145 GPRESSURE: 1180800 -237.831 -40.3915 -113.024 26.1512 75.8393 54.7629 -67.2056 -24.3446 43.2975 PRESSAVG: 1180800 -11.9308 -2.46951 -27.1072 -2.46952 38.8627 -48.9314 -27.1072 -48.9313 -30.1999 GPRESSAVG: 1180800 -11.7779 -3.17497 -27.8747 -1.31327 39.0707 -47.6617 -27.7977 -46.3885 -30.2205 TIMING: 1180800 CPU: 3507.17, 0.00302038/step Wall: 3507.17, 0.00302038/step, 3.20429 hours remaining, 205.937500 MB of memory in use. ENERGY: 1180800 763.4217 2026.2684 1910.7596 108.9602 -206199.7663 17761.4928 0.0000 0.0000 34336.3950 -149292.4684 299.8683 -183628.8634 -149190.3117 298.9649 -68.4652 -39.5646 558530.6100 -1.0893 -0.9759 PRESSURE: 1181000 -235.237 50.8843 91.8774 50.8853 173.553 53.4412 91.8772 53.4411 -25.4217 GPRESSURE: 1181000 -211.526 -63.3818 67.6951 57.0825 196.446 72.8576 111.139 33.2056 31.3481 PRESSAVG: 1181000 44.0825 19.6181 15.8915 19.618 30.8283 -23.2343 15.8914 -23.2343 4.54902 GPRESSAVG: 1181000 43.761 20.1577 15.9356 18.6479 31.6523 -23.4351 17.2432 -23.6683 3.97142 TIMING: 1181000 CPU: 3507.76, 0.00297411/step Wall: 3507.76, 0.00297411/step, 3.15503 hours remaining, 205.937500 MB of memory in use. ENERGY: 1181000 733.1176 2113.8161 1945.0186 117.3361 -206193.1157 17883.1581 0.0000 0.0000 34239.5995 -149161.0698 299.0229 -183400.6693 -149067.3496 299.3151 -29.0355 5.4229 557784.5621 26.4866 26.4616 PRESSURE: 1181200 -335.654 30.5318 269.577 30.5317 -177.016 22.3846 269.577 22.3849 -179.17 GPRESSURE: 1181200 -285.481 96.4574 336.284 23.6556 -162.106 74.8962 179.746 -12.1451 -142.91 PRESSAVG: 1181200 -0.0662776 -22.6315 95.4512 -22.6315 -31.1192 29.3225 95.4511 29.3225 18.7053 GPRESSAVG: 1181200 -0.50818 -22.7763 95.4658 -22.3294 -31.3565 30.4811 93.9517 26.6889 19.0656 TIMING: 1181200 CPU: 3508.36, 0.00296663/step Wall: 3508.36, 0.00296663/step, 3.14694 hours remaining, 205.937500 MB of memory in use. ENERGY: 1181200 747.9942 2062.2306 1936.7474 116.0342 -206092.0435 17577.9234 0.0000 0.0000 34281.7144 -149369.3992 299.3907 -183651.1137 -149274.2009 299.1920 -230.6133 -196.8325 557851.2651 -4.1601 -4.2664 PRESSURE: 1181400 -137.776 102.783 108.18 102.784 283.264 11.3426 108.18 11.3432 -48.1051 GPRESSURE: 1181400 -146.461 179.01 78.1274 89.6912 330.965 63.7198 102.056 -59.3212 20.6377 PRESSAVG: 1181400 -66.5603 -3.02699 49.9055 -3.02706 37.1217 32.6879 49.9055 32.6878 5.88317 GPRESSAVG: 1181400 -66.6678 -3.1223 51.7304 -4.99392 37.2424 30.2026 49.9159 34.956 5.16333 TIMING: 1181400 CPU: 3508.95, 0.00298281/step Wall: 3508.95, 0.00298281/step, 3.16393 hours remaining, 205.937500 MB of memory in use. ENERGY: 1181400 744.0100 2120.7598 1916.6202 119.7408 -206207.6929 17731.4861 0.0000 0.0000 34419.2480 -149155.8279 300.5919 -183575.0759 -149067.6010 299.6676 32.4608 68.3806 557628.8396 -7.8518 -8.0873 PRESSURE: 1181600 -55.8147 145.155 85.4429 145.155 8.5943 -50.6842 85.4424 -50.6831 -66.066 GPRESSURE: 1181600 -63.6876 106.916 68.897 74.6109 67.0047 -79.3432 209.368 -31.4443 -17.6672 PRESSAVG: 1181600 -10.2592 -11.7832 -30.4927 -11.7833 -17.7525 -36.3125 -30.4927 -36.3125 13.8486 GPRESSAVG: 1181600 -9.33906 -10.8846 -30.207 -11.8002 -17.3752 -32.4443 -31.8311 -37.4707 12.5455 TIMING: 1181600 CPU: 3509.55, 0.00298244/step Wall: 3509.55, 0.00298244/step, 3.16338 hours remaining, 205.937500 MB of memory in use. ENERGY: 1181600 773.9819 2100.0052 1925.3697 109.4805 -206452.6313 17935.1981 0.0000 0.0000 34200.7740 -149407.8217 298.6839 -183608.5958 -149314.4541 298.8330 -37.7621 -4.7834 557882.7915 -4.7210 -4.7229 PRESSURE: 1181800 84.2882 -19.1131 -88.1129 -19.1129 180.173 -95.8458 -88.1135 -95.845 -255.259 GPRESSURE: 1181800 165.98 85.1778 -116.832 -26.7364 140.199 -53.8518 -6.67098 -78.4658 -210.429 PRESSAVG: 1181800 -5.66991 -29.841 58.2376 -29.8409 -19.9249 -3.47747 58.2376 -3.47736 32.4876 GPRESSAVG: 1181800 -4.42693 -29.703 56.9897 -29.9169 -20.4044 -5.07417 60.87 -4.07982 32.5386 TIMING: 1181800 CPU: 3510.15, 0.00298418/step Wall: 3510.15, 0.00298418/step, 3.16505 hours remaining, 205.937500 MB of memory in use. ENERGY: 1181800 747.5191 2044.5852 1949.0504 123.8329 -206150.9017 17780.8295 0.0000 0.0000 34229.5430 -149275.5416 298.9351 -183505.0845 -149175.8726 298.5583 3.0673 31.9167 558556.0454 2.2976 2.5691 PRESSURE: 1182000 -111.899 92.2309 -45.1664 92.2307 -369.577 11.1303 -45.1665 11.1301 119.772 GPRESSURE: 1182000 -17.5385 34.3897 -64.4556 72.8527 -351.182 -21.31 -93.0699 -78.9575 119.989 PRESSAVG: 1182000 -5.20231 33.9773 -23.4767 33.9773 -7.09242 -28.9285 -23.4768 -28.9286 1.5396 GPRESSAVG: 1182000 -6.44634 34.9634 -23.0038 35.146 -6.07933 -30.4696 -25.9597 -27.2578 2.25495 TIMING: 1182000 CPU: 3510.74, 0.0029693/step Wall: 3510.74, 0.0029693/step, 3.14911 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: 1182000 745.7025 2135.3798 1947.6865 112.8418 -206344.4682 17661.7825 0.0000 0.0000 34331.8542 -149409.2209 299.8286 -183741.0752 -149322.6357 298.8557 -120.5682 -82.9106 557413.6834 -3.5850 -3.4236 PRESSURE: 1182200 -30.125 79.5784 -165.443 79.5787 -433.917 138.128 -165.442 138.128 -435.313 GPRESSURE: 1182200 -36.2489 84.2694 -76.1795 28.4215 -389.728 98.5393 -189.315 154.588 -370.79 PRESSAVG: 1182200 9.5425 -4.06107 -21.803 -4.06105 32.0551 -2.3171 -21.8028 -2.3172 -21.0148 GPRESSAVG: 1182200 10.9727 -3.78292 -21.9105 -4.29021 31.0087 -1.40329 -20.4284 -3.15857 -21.2358 TIMING: 1182200 CPU: 3511.34, 0.00302053/step Wall: 3511.34, 0.00302053/step, 3.20327 hours remaining, 205.937500 MB of memory in use. ENERGY: 1182200 764.2115 2114.7853 1923.5638 115.9338 -206173.0320 17498.2661 0.0000 0.0000 34391.9324 -149364.3392 300.3533 -183756.2716 -149262.6408 299.1436 -299.7850 -265.5888 557943.4005 6.8609 6.9152 PRESSURE: 1182400 -180.987 -109.429 -21.1116 -109.429 -191.179 0.543525 -21.1111 0.542607 -313.606 GPRESSURE: 1182400 -142.762 -181.036 5.66574 -40.1435 -179.846 39.098 -56.0183 32.3208 -263.704 PRESSAVG: 1182400 21.0984 -4.54451 17.2662 -4.54442 15.3771 41.0587 17.2662 41.0586 -40.3432 GPRESSAVG: 1182400 19.8932 -6.30967 17.9216 -2.04153 16.9881 41.8975 17.137 41.1291 -41.0984 TIMING: 1182400 CPU: 3511.95, 0.00303343/step Wall: 3511.95, 0.00303343/step, 3.21679 hours remaining, 205.937500 MB of memory in use. ENERGY: 1182400 781.1986 2159.9864 1931.3982 119.7121 -206064.5532 17511.8068 0.0000 0.0000 34251.2835 -149309.1676 299.1250 -183560.4511 -149211.0944 300.0441 -228.5909 -195.4375 557715.8398 -1.2892 -1.4057 PRESSURE: 1182600 -1.17592 55.5422 -0.0762206 55.5419 -38.2227 53.3351 -0.075443 53.3369 -274.573 GPRESSURE: 1182600 34.6435 42.5037 -12.3431 -8.45099 -23.0718 101.963 31.1424 -3.96538 -229.427 PRESSAVG: 1182600 38.2822 -6.78554 -23.0977 -6.78551 54.637 7.61975 -23.0977 7.6198 -64.1042 GPRESSAVG: 1182600 38.5029 -4.09257 -23.4775 -8.96826 54.7422 8.57445 -23.8245 7.05653 -64.3504 TIMING: 1182600 CPU: 3512.55, 0.00300305/step Wall: 3512.55, 0.00300305/step, 3.1844 hours remaining, 205.937500 MB of memory in use. ENERGY: 1182600 739.3881 2111.9888 1948.3501 111.4591 -205966.1349 17557.5550 0.0000 0.0000 34360.4074 -149136.9864 300.0780 -183497.3939 -149035.6889 299.1405 -104.6574 -72.6183 558024.2245 9.6050 9.6316 PRESSURE: 1182800 -191.485 74.3159 84.8719 74.3169 18.8708 -276.971 84.8721 -276.971 8.8495 GPRESSURE: 1182800 -132.356 -5.4374 72.3157 85.2088 37.5381 -285.112 81.0976 -307.144 27.453 PRESSAVG: 1182800 -13.4167 -0.69812 -0.0961627 -0.698138 17.1547 -8.84597 -0.0961351 -8.84593 -1.53514 GPRESSAVG: 1182800 -13.3537 -2.13578 -0.481196 -0.688534 16.5166 -12.0283 0.946339 -9.34707 -1.08778 TIMING: 1182800 CPU: 3513.15, 0.00299333/step Wall: 3513.15, 0.00299333/step, 3.17393 hours remaining, 205.937500 MB of memory in use. ENERGY: 1182800 748.1022 2151.2356 1940.4451 113.7721 -205851.0776 17548.2720 0.0000 0.0000 34268.8428 -149080.4077 299.2783 -183349.2505 -148975.7540 299.7535 -54.5881 -22.4549 557931.4098 0.7343 0.6917 PRESSURE: 1183000 64.4834 -158.003 62.0421 -158.003 -111.969 0.22936 62.0426 0.229321 44.4598 GPRESSURE: 1183000 59.9316 -182.29 75.0341 -194.35 -91.447 -36.2062 35.4178 35.4104 123.135 PRESSAVG: 1183000 27.5199 9.58719 10.9736 9.5871 28.1937 -41.4588 10.9736 -41.4588 -5.92934 GPRESSAVG: 1183000 27.6988 9.55298 11.1805 7.61911 27.7047 -42.2105 11.4516 -39.7672 -5.25342 TIMING: 1183000 CPU: 3513.75, 0.00299247/step Wall: 3513.75, 0.00299247/step, 3.17285 hours remaining, 205.937500 MB of memory in use. ENERGY: 1183000 764.9653 2099.1720 1928.0768 108.0637 -206115.0990 17813.0357 0.0000 0.0000 34150.8203 -149250.9653 298.2476 -183401.7856 -149159.7951 298.7060 -1.0087 30.5400 558707.2182 16.5948 16.7167 PRESSURE: 1183200 -173.894 -33.7864 75.2049 -33.7863 -262.533 -121.767 75.2046 -121.768 -163.643 GPRESSURE: 1183200 -147.797 -88.4971 99.2177 -9.37439 -251.43 -19.3707 137.563 -190.867 -114.247 PRESSAVG: 1183200 -17.2282 -14.4868 15.7502 -14.4868 11.9137 -1.5982 15.7502 -1.59819 16.6158 GPRESSAVG: 1183200 -17.6198 -14.2096 17.1146 -11.8776 13.1319 -0.0772881 16.7451 -2.87663 15.9811 TIMING: 1183200 CPU: 3514.35, 0.0030109/step Wall: 3514.35, 0.0030109/step, 3.19223 hours remaining, 205.937500 MB of memory in use. ENERGY: 1183200 779.7276 2191.7578 1932.1356 112.1015 -205751.7885 17317.5667 0.0000 0.0000 34123.6616 -149294.8377 298.0104 -183418.4993 -149209.9346 298.5354 -200.0235 -171.1581 557519.5431 3.7671 3.8311 PRESSURE: 1183400 140.531 -69.354 43.618 -69.356 187.287 -235.295 43.618 -235.294 354.403 GPRESSURE: 1183400 191.026 -45.1399 -34.2678 -26.4716 174.595 -200.801 113.538 -198.258 416.641 PRESSAVG: 1183400 83.422 47.4025 89.2422 47.4024 -11.1139 -20.0253 89.2422 -20.0254 -20.8123 GPRESSAVG: 1183400 82.3512 48.452 87.2019 45.3 -11.5252 -18.305 89.1557 -19.352 -19.0714 TIMING: 1183400 CPU: 3514.96, 0.00302656/step Wall: 3514.96, 0.00302656/step, 3.20866 hours remaining, 205.937500 MB of memory in use. ENERGY: 1183400 726.0526 2118.1287 1935.3496 102.9679 -206425.8697 18189.1836 0.0000 0.0000 34052.7023 -149301.4851 297.3907 -183354.1874 -149201.5426 298.2174 227.4071 260.7538 558073.4673 17.1653 17.2515 PRESSURE: 1183600 -271.986 -34.0371 -11.6438 -34.0377 61.8811 10.7041 -11.6433 10.7043 -11.3887 GPRESSURE: 1183600 -222.054 -20.8697 34.2351 -17.68 31.6389 -15.043 -47.9533 -8.68151 62.3061 PRESSAVG: 1183600 -3.77219 71.3901 29.5901 71.39 -13.5432 19.9966 29.5901 19.9967 45.3314 GPRESSAVG: 1183600 -2.06477 70.1825 31.0686 73.1684 -14.0172 16.018 27.1452 21.1562 44.7851 TIMING: 1183600 CPU: 3515.55, 0.00299274/step Wall: 3515.55, 0.00299274/step, 3.17263 hours remaining, 205.937500 MB of memory in use. ENERGY: 1183600 790.7948 2121.4066 1927.8898 125.3780 -206256.8543 17841.7616 0.0000 0.0000 34141.3611 -149308.2623 298.1650 -183449.6234 -149221.3637 298.6216 -73.8311 -42.7030 558578.4652 9.3387 9.5677 PRESSURE: 1183800 27.988 153.758 25.6975 153.759 346.804 -25.268 25.6968 -25.2688 69.385 GPRESSURE: 1183800 147.953 160.26 -65.1156 220.859 337.688 -0.891358 23.8422 -31.6303 60.9538 PRESSAVG: 1183800 -37.1143 40.1666 19.1203 40.1666 5.85584 -26.3545 19.1203 -26.3546 21.7514 GPRESSAVG: 1183800 -36.5868 40.8768 17.3399 42.121 6.61416 -21.7497 21.3333 -29.4009 20.9145 TIMING: 1183800 CPU: 3516.15, 0.00298443/step Wall: 3516.15, 0.00298443/step, 3.16366 hours remaining, 205.937500 MB of memory in use. ENERGY: 1183800 784.7598 2085.2600 1938.1429 111.8033 -206775.9844 18156.2618 0.0000 0.0000 34207.7054 -149492.0511 298.7444 -183699.7565 -149406.7904 298.6123 148.0589 182.1984 556367.9694 -3.1690 -3.0194 PRESSURE: 1184000 -10.7263 173.297 91.6666 173.297 74.2977 -139.327 91.6674 -139.328 108.935 GPRESSURE: 1184000 26.5844 68.0373 46.616 256.185 43.8975 -213.854 145.783 -123.785 189.953 PRESSAVG: 1184000 60.4575 2.4086 13.7148 2.40863 -84.2449 -8.36972 13.7148 -8.36978 7.13314 GPRESSAVG: 1184000 60.3806 1.39413 14.6708 0.80808 -84.6116 -13.4466 12.9049 -5.62568 7.30747 TIMING: 1184000 CPU: 3516.75, 0.00300536/step Wall: 3516.75, 0.00300536/step, 3.18568 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: 1184000 728.4985 2049.3914 1949.0763 137.8587 -206287.6095 18090.3720 0.0000 0.0000 33976.2068 -149356.2058 296.7227 -183332.4126 -149265.0968 298.6386 57.5023 86.8116 559658.8151 -5.5515 -5.6412 PRESSURE: 1184200 -417.657 -3.0048 -42.8257 -3.00322 -1.91624 -36.083 -42.8259 -36.0839 -104.65 GPRESSURE: 1184200 -375.216 -19.6991 -96.0463 -21.3632 -4.06961 -29.1187 15.3449 -7.42002 -43.282 PRESSAVG: 1184200 -45.8036 -29.4994 -13.3922 -29.4994 39.0356 1.31278 -13.3921 1.31278 61.1855 GPRESSAVG: 1184200 -46.1131 -29.6464 -14.0465 -29.6913 38.7964 2.69519 -13.6069 0.0673373 61.1623 TIMING: 1184200 CPU: 3517.36, 0.00302969/step Wall: 3517.36, 0.00302969/step, 3.21131 hours remaining, 205.937500 MB of memory in use. ENERGY: 1184200 737.0742 2116.7461 1938.2378 124.8886 -206276.4685 17780.5237 0.0000 0.0000 34157.5719 -149421.4263 298.3066 -183578.9982 -149328.8715 298.8467 -174.7411 -140.8559 559463.9655 18.1392 17.9486 LDB: ============= START OF LOAD BALANCING ============== 3520.79 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3520.79 LDB: =============== DONE WITH MIGRATION ================ 3520.79 LDB: ============= START OF LOAD BALANCING ============== 3521.1 LDB: Largest compute 4821 load 0.031958 is 27.1% of average load 0.117985 LDB: Average compute 0.001711 is 1.4% of average load 0.117985 LDB: TIME 3521.1 LOAD: AVG 0.117985 MAX 0.195171 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 3521.1 LOAD: AVG 0.117985 MAX 0.195171 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.91 MB LDB: TIME 3521.1 LOAD: AVG 0.117985 MAX 0.195171 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.91 MB LDB: ============== END OF LOAD BALANCING =============== 3521.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3521.11 PRESSURE: 1184400 51.7725 -96.2819 133.141 -96.283 35.0564 136.377 133.141 136.379 -88.2273 GPRESSURE: 1184400 99.5752 -44.4489 54.6618 -94.1224 -11.4803 123.393 267.292 55.61 7.69814 PRESSAVG: 1184400 -63.5347 -27.1504 58.1312 -27.1504 41.5383 -13.3127 58.1312 -13.3127 47.9015 GPRESSAVG: 1184400 -64.6961 -25.8918 58.1696 -27.0691 42.2828 -12.8454 57.5764 -12.6377 48.6314 TIMING: 1184400 CPU: 3517.98, 0.00308737/step Wall: 3517.98, 0.00308736/step, 3.27226 hours remaining, 205.738281 MB of memory in use. ENERGY: 1184400 740.4999 2116.6432 1938.4780 104.0904 -206618.8270 17918.6810 0.0000 0.0000 34346.0690 -149454.3655 299.9528 -183800.4345 -149365.4410 298.1339 -0.4661 31.9310 556506.2905 8.6350 8.7393 PRESSURE: 1184600 -72.6678 27.6407 -41.9733 27.641 102.528 176.006 -41.9736 176.005 -150.771 GPRESSURE: 1184600 -92.5788 -43.3586 -46.8293 118.936 158.528 113.552 -92.0229 157.131 -95.761 PRESSAVG: 1184600 -42.7182 -11.2246 24.2602 -11.2246 31.2757 45.0544 24.2602 45.0545 15.8864 GPRESSAVG: 1184600 -41.6962 -11.6069 24.7707 -12.3083 30.2262 45.8003 25.9319 45.501 15.4977 TIMING: 1184600 CPU: 3518.58, 0.00300645/step Wall: 3518.58, 0.00300645/step, 3.18634 hours remaining, 205.738281 MB of memory in use. ENERGY: 1184600 753.9734 2101.7662 1929.0222 121.0872 -206531.1727 17807.2514 0.0000 0.0000 34311.9147 -149506.1577 299.6545 -183818.0724 -149407.4323 299.0008 -40.3036 -9.9372 557238.9720 1.4813 1.3426 PRESSURE: 1184800 -111.102 161.878 3.84801 161.878 -295.108 77.2061 3.84754 77.2057 48.3046 GPRESSURE: 1184800 -91.8448 180.824 -3.9034 125.025 -221.942 95.9768 25.8687 54.7131 66.8765 PRESSAVG: 1184800 -11.4013 29.2854 -31.5868 29.2854 -6.70498 16.5246 -31.5867 16.5247 12.5621 GPRESSAVG: 1184800 -11.9622 28.5671 -31.7625 31.9471 -6.23185 19.3205 -30.6954 15.0865 12.001 TIMING: 1184800 CPU: 3519.18, 0.0030244/step Wall: 3519.18, 0.0030244/step, 3.20519 hours remaining, 205.738281 MB of memory in use. ENERGY: 1184800 754.0953 2120.9079 1926.8111 103.6611 -206580.0851 17764.5735 0.0000 0.0000 34400.1216 -149509.9147 300.4248 -183910.0363 -149417.3582 298.8590 -119.3020 -82.3035 556658.5311 -1.8480 -2.0644 PRESSURE: 1185000 -61.815 35.472 -89.7926 35.4713 -143.559 -169.265 -89.793 -169.265 -318.446 GPRESSURE: 1185000 -85.5255 -13.388 -137.352 41.419 -120.818 -84.9878 -39.8599 -193.199 -228.534 PRESSAVG: 1185000 -54.8015 49.0474 -18.8393 49.0474 9.2399 25.6087 -18.8393 25.6087 12.1359 GPRESSAVG: 1185000 -54.6706 48.1591 -18.306 46.6339 9.24351 22.9696 -19.7221 25.7273 11.9443 TIMING: 1185000 CPU: 3519.78, 0.00298782/step Wall: 3519.78, 0.00298782/step, 3.16626 hours remaining, 205.738281 MB of memory in use. ENERGY: 1185000 730.1011 2083.7066 1953.9251 112.8844 -205923.3229 17443.1374 0.0000 0.0000 34085.5757 -149513.9926 297.6778 -183599.5683 -149424.4282 298.7253 -174.6064 -144.9590 557554.2255 -11.1419 -11.1609 PRESSURE: 1185200 -103.726 -143.02 -29.6414 -143.021 171.145 69.5828 -29.6419 69.5822 166.432 GPRESSURE: 1185200 -90.5903 -202.953 -34.2105 -75.7527 204.282 39.775 -19.6231 183.083 227.568 PRESSAVG: 1185200 -20.1986 1.023 -2.7133 1.02301 -38.6197 -20.1401 -2.71328 -20.14 38.685 GPRESSAVG: 1185200 -20.2221 0.330118 -2.34731 4.71118 -38.3835 -19.2131 -2.39176 -18.6829 38.1813 TIMING: 1185200 CPU: 3520.38, 0.00299431/step Wall: 3520.38, 0.00299431/step, 3.17297 hours remaining, 205.738281 MB of memory in use. ENERGY: 1185200 755.3884 2095.1257 1925.3507 108.3614 -206225.0001 17797.4288 0.0000 0.0000 34171.5305 -149371.8146 298.4285 -183543.3451 -149268.9604 298.4559 77.9504 113.7535 558187.8030 -6.7111 -6.8081 PRESSURE: 1185400 -201.79 -82.5873 62.4911 -82.5868 242.255 -130.827 62.4915 -130.826 -93.4866 GPRESSURE: 1185400 -181.128 -150.566 76.0989 -8.30463 239.963 -214.863 43.8281 -83.3651 -10.0513 PRESSAVG: 1185400 -65.4586 2.01248 14.549 2.01256 -9.31242 33.4934 14.5489 33.4934 70.4031 GPRESSAVG: 1185400 -64.8905 2.78703 13.2665 0.617707 -10.1432 34.4181 13.9507 31.6925 70.2645 TIMING: 1185400 CPU: 3520.98, 0.00300095/step Wall: 3520.98, 0.00300095/step, 3.17985 hours remaining, 205.738281 MB of memory in use. ENERGY: 1185400 709.8227 2134.4144 1945.9325 113.0298 -206276.4481 17655.0893 0.0000 0.0000 34512.8505 -149205.3089 301.4093 -183718.1593 -149116.9771 299.4064 -17.6739 16.2612 556764.1928 -1.4560 -1.5898 PRESSURE: 1185600 -42.8073 -60.3379 -2.74255 -60.3368 -78.5975 -43.875 -2.7414 -43.8764 -153.518 GPRESSURE: 1185600 -19.8296 -29.5842 73.5684 -91.3686 -33.7411 23.5369 -93.8009 -12.4165 -120.057 PRESSAVG: 1185600 -10.9919 15.771 -5.86333 15.7711 -32.8917 20.3816 -5.86336 20.3816 12.1932 GPRESSAVG: 1185600 -10.8567 17.9022 -4.58368 13.8034 -32.8667 18.7299 -6.25609 22.1678 11.9231 TIMING: 1185600 CPU: 3521.58, 0.00299903/step Wall: 3521.58, 0.00299903/step, 3.17764 hours remaining, 205.738281 MB of memory in use. ENERGY: 1185600 707.0617 2098.9264 1966.3642 113.7551 -205906.9750 17651.5313 0.0000 0.0000 34080.1463 -149289.1900 297.6304 -183369.3363 -149193.3440 298.8287 -91.6409 -57.8759 558524.5911 -10.5635 -10.6001 PRESSURE: 1185800 21.0343 -26.1126 10.7802 -26.1125 -125.742 -93.1476 10.7787 -93.1496 -292.653 GPRESSURE: 1185800 37.07 -97.6399 -85.5645 16.4074 -116.156 -160.655 32.5194 -31.8409 -211.573 PRESSAVG: 1185800 -52.5989 1.93451 13.2339 1.93463 50.4855 29.5791 13.2339 29.579 4.09235 GPRESSAVG: 1185800 -53.0297 -0.409503 12.0029 4.27001 51.0465 29.6966 14.8327 29.4902 4.78132 TIMING: 1185800 CPU: 3522.18, 0.0029949/step Wall: 3522.18, 0.0029949/step, 3.1731 hours remaining, 205.738281 MB of memory in use. ENERGY: 1185800 765.5910 2084.8546 1949.5127 114.7857 -206140.3518 17843.4845 0.0000 0.0000 34136.6633 -149245.4599 298.1240 -183382.1232 -149145.8005 298.3566 -132.4536 -96.8864 558233.0221 0.6597 0.9327 PRESSURE: 1186000 -85.5661 -88.163 4.93924 -88.1649 81.1239 136.578 4.94012 136.578 -77.0511 GPRESSURE: 1186000 -62.6964 -46.4559 11.6421 -135.482 80.1961 250.323 22.8988 143.649 -5.06327 PRESSAVG: 1186000 1.66737 43.1649 -60.8777 43.1649 7.94215 17.8471 -60.8778 17.847 -49.0171 GPRESSAVG: 1186000 1.30081 43.0049 -60.6472 42.5223 8.45137 18.4263 -62.0671 17.7911 -48.87 TIMING: 1186000 CPU: 3522.77, 0.00297915/step Wall: 3522.77, 0.00297915/step, 3.15625 hours remaining, 205.738281 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: 1186000 766.2691 2109.0897 1934.3885 101.3034 -206105.1602 17799.1794 0.0000 0.0000 34235.8909 -149159.0393 298.9906 -183394.9302 -149061.2090 299.2325 -27.1645 4.1455 557932.9002 -13.1359 -13.0393 PRESSURE: 1186200 -175.307 -156.428 -253.667 -156.427 58.1109 -21.3856 -253.668 -21.3838 -119.727 GPRESSURE: 1186200 -159.627 -90.7133 -244.671 -193.955 117.975 -42.476 -241.546 56.5012 -102.407 PRESSAVG: 1186200 -10.0981 -7.20008 -12.2689 -7.20005 46.1153 36.7969 -12.2689 36.7969 -16.1341 GPRESSAVG: 1186200 -10.4027 -6.17651 -10.7111 -6.92639 44.8506 37.188 -11.2662 36.051 -14.5228 TIMING: 1186200 CPU: 3523.37, 0.00299684/step Wall: 3523.37, 0.00299684/step, 3.17482 hours remaining, 205.738281 MB of memory in use. ENERGY: 1186200 708.5261 2092.9481 1952.0473 119.9067 -205917.2072 17608.1878 0.0000 0.0000 34198.5688 -149237.0224 298.6646 -183435.5912 -149138.8250 298.1203 -78.9743 -48.0197 559203.1799 6.6277 6.6417 PRESSURE: 1186400 -313.601 -11.9259 119.236 -11.926 -82.8466 -178.081 119.237 -178.081 -81.5972 GPRESSURE: 1186400 -275.086 -11.7423 22.2741 -0.767977 -89.3328 -55.7103 21.815 -290.872 -17.2 PRESSAVG: 1186400 11.3302 -20.0875 -10.324 -20.0875 16.8388 5.09015 -10.324 5.0902 -8.87326 GPRESSAVG: 1186400 12.4797 -19.9589 -9.14596 -21.2016 17.382 4.46242 -12.8545 4.18527 -10.5746 TIMING: 1186400 CPU: 3523.98, 0.00301845/step Wall: 3523.98, 0.00301845/step, 3.19755 hours remaining, 205.738281 MB of memory in use. ENERGY: 1186400 731.7194 2059.6890 1923.8647 106.3386 -205921.1122 17682.1662 0.0000 0.0000 34257.6349 -149159.6994 299.1804 -183417.3343 -149064.8535 298.9361 -159.3482 -127.2062 558134.0931 6.4319 6.4290 PRESSURE: 1186600 53.4738 -145.831 39.823 -145.832 160.904 183.939 39.8232 183.939 -161.244 GPRESSURE: 1186600 128.092 -126.521 62.0016 -251.884 116.888 144.495 110.893 132.683 -90.3906 PRESSAVG: 1186600 -47.8757 -55.5127 44.2823 -55.5128 60.3057 20.1383 44.2822 20.1382 31.3255 GPRESSAVG: 1186600 -48.407 -55.2218 40.84 -55.8708 60.1085 20.0707 46.7769 20.6142 31.2118 TIMING: 1186600 CPU: 3524.58, 0.0030002/step Wall: 3524.58, 0.0030002/step, 3.17804 hours remaining, 205.738281 MB of memory in use. ENERGY: 1186600 722.6342 2112.0668 1956.7592 122.9481 -206186.3032 17957.0378 0.0000 0.0000 34238.7518 -149076.1054 299.0155 -183314.8572 -148976.3861 298.5435 17.7113 51.5298 558338.4827 14.5852 14.3044 PRESSURE: 1186800 -103.92 -147.22 -16.2215 -147.221 -187.833 113.862 -16.2213 113.865 -73.8557 GPRESSURE: 1186800 -129.825 -80.4999 -53.7191 -144.295 -126.404 117.094 84.3984 86.4924 -12.124 PRESSAVG: 1186800 -84.2716 -31.8231 2.32195 -31.823 -8.95222 7.15544 2.32197 7.15545 64.1493 GPRESSAVG: 1186800 -85.0869 -31.4591 1.57503 -32.3818 -7.91516 6.49275 2.13101 7.98766 64.474 TIMING: 1186800 CPU: 3525.18, 0.00301143/step Wall: 3525.18, 0.00301143/step, 3.18977 hours remaining, 205.738281 MB of memory in use. ENERGY: 1186800 763.9331 2100.7754 1949.6955 97.7872 -206212.6563 17693.8645 0.0000 0.0000 34196.8507 -149409.7498 298.6496 -183606.6005 -149314.9578 298.8028 -121.8695 -89.4509 557427.8884 -9.6915 -9.5094 PRESSURE: 1187000 -158.621 -32.5612 27.6651 -32.5611 -312.468 79.9899 27.6633 79.9898 -106.128 GPRESSURE: 1187000 -148.102 -31.6939 86.5622 -15.5734 -271.683 87.3628 -6.11693 145.29 -77.7115 PRESSAVG: 1187000 17.5849 -88.6303 2.80824 -88.6303 -19.7556 -0.836459 2.80825 -0.83649 -7.56431 GPRESSAVG: 1187000 18.402 -88.3381 4.47626 -89.2044 -21.257 -1.29016 3.23838 -2.63205 -6.81456 TIMING: 1187000 CPU: 3525.78, 0.00300238/step Wall: 3525.78, 0.00300237/step, 3.18002 hours remaining, 205.738281 MB of memory in use. ENERGY: 1187000 751.3583 2102.8547 1952.4467 115.3778 -206094.3336 17609.5803 0.0000 0.0000 34283.2372 -149279.4786 299.4040 -183562.7158 -149189.9410 299.3979 -192.4058 -165.8321 558236.4442 -3.2450 -3.2232 PRESSURE: 1187200 218.524 -161.917 181.356 -161.917 113.094 108.047 181.356 108.045 98.9372 GPRESSURE: 1187200 256.087 -116.341 119.194 -104.433 186.261 173.5 157.444 42.3272 83.8769 PRESSAVG: 1187200 26.7697 2.27151 4.46879 2.2715 38.7128 -41.234 4.46887 -41.2341 -46.5234 GPRESSAVG: 1187200 27.5972 2.12055 3.53681 2.68537 40.234 -39.854 4.95546 -39.0157 -47.9856 TIMING: 1187200 CPU: 3526.38, 0.00300158/step Wall: 3526.38, 0.00300158/step, 3.17901 hours remaining, 205.738281 MB of memory in use. ENERGY: 1187200 725.8378 2089.0849 1912.5693 104.5062 -206667.9476 18110.2134 0.0000 0.0000 34281.6344 -149444.1016 299.3900 -183725.7360 -149349.2574 298.9874 143.5184 175.4084 556666.1403 6.3197 6.6152 PRESSURE: 1187400 -60.9568 206.318 192.879 206.319 75.6364 -11.6215 192.877 -11.6204 -136.453 GPRESSURE: 1187400 17.4539 211.012 235.508 211.79 69.6427 -48.1628 162.516 -87.1811 -111.226 PRESSAVG: 1187400 -5.37819 14.2747 19.8286 14.2746 25.7961 -52.193 19.8286 -52.1929 -25.8183 GPRESSAVG: 1187400 -4.63151 12.7451 21.3123 16.4516 24.6753 -52.7835 18.0969 -53.4398 -25.0663 TIMING: 1187400 CPU: 3526.98, 0.00302814/step Wall: 3526.98, 0.00302815/step, 3.20697 hours remaining, 205.738281 MB of memory in use. ENERGY: 1187400 729.9208 2126.5409 1940.8211 125.6233 -206573.0141 17837.7206 0.0000 0.0000 34292.9990 -149519.3884 299.4893 -183812.3874 -149425.0269 298.4724 -40.5911 -8.0431 556285.7568 -1.8001 -1.6742 PRESSURE: 1187600 -112.413 -40.8601 -83.3911 -40.8594 -56.1744 55.9902 -83.3911 55.9917 -221.42 GPRESSURE: 1187600 -115.212 -110.299 -96.4001 -32.3039 43.5757 118.18 -115.509 13.4422 -205.794 PRESSAVG: 1187600 -22.7306 -4.03204 12.7067 -4.03189 16.3357 -28.45 12.7068 -28.45 -23.7486 GPRESSAVG: 1187600 -24.2525 -1.78087 10.6176 -5.3771 16.9993 -29.6259 13.3443 -28.1392 -22.7356 TIMING: 1187600 CPU: 3527.58, 0.00299755/step Wall: 3527.58, 0.00299755/step, 3.17441 hours remaining, 205.738281 MB of memory in use. ENERGY: 1187600 765.9000 2102.7377 1935.9714 111.3231 -206218.0281 17628.4030 0.0000 0.0000 34212.0881 -149461.6048 298.7827 -183673.6929 -149361.6475 298.6510 -130.0026 -92.4766 558078.5309 -10.0478 -9.9963 PRESSURE: 1187800 -107.398 -101.045 32.8536 -101.045 15.8372 -69.5347 32.8535 -69.5346 -257.926 GPRESSURE: 1187800 -46.262 -39.1367 7.77045 -159.936 12.5668 -63.9828 9.47384 -32.2288 -213.698 PRESSAVG: 1187800 -37.8674 -16.8817 -9.45031 -16.8817 7.55638 34.65 -9.4503 34.6498 34.5985 GPRESSAVG: 1187800 -36.6077 -18.2412 -9.8227 -16.8343 6.80768 35.9017 -9.31562 34.0815 34.3298 TIMING: 1187800 CPU: 3528.18, 0.00299656/step Wall: 3528.18, 0.00299656/step, 3.17319 hours remaining, 205.738281 MB of memory in use. ENERGY: 1187800 746.0733 2056.5291 1970.1918 117.4400 -206202.4912 17680.0835 0.0000 0.0000 34271.8935 -149360.2800 299.3050 -183632.1735 -149262.7461 298.3401 -116.4956 -82.4645 558152.3652 1.4292 1.5099 PRESSURE: 1188000 -41.3027 -71.3524 -88.6947 -71.3532 -201.414 7.97938 -88.6949 7.97896 -117.243 GPRESSURE: 1188000 -16.7083 -127.889 -110.438 -43.8086 -201.943 9.05217 -25.3119 -28.8828 -37.3178 PRESSAVG: 1188000 102.331 -62.0959 -81.7144 -62.096 4.22445 -17.6819 -81.7144 -17.6819 -101.392 GPRESSAVG: 1188000 102.377 -62.3384 -80.3554 -60.9287 5.55328 -18.8317 -83.1964 -17.0067 -102.765 TIMING: 1188000 CPU: 3528.78, 0.00299745/step Wall: 3528.78, 0.00299745/step, 3.17397 hours remaining, 205.738281 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: 1188000 750.3729 2104.7405 1938.5041 116.3963 -206255.9492 17698.6242 0.0000 0.0000 34197.5469 -149449.7643 298.6557 -183647.3112 -149354.3813 298.2057 -119.9867 -85.3231 559348.3269 1.7209 1.7217 PRESSURE: 1188200 21.0003 100.982 -11.7596 100.98 -25.8216 141.869 -11.7593 141.867 151.091 GPRESSURE: 1188200 38.7837 42.93 24.5649 133.795 55.6551 155.771 40.6341 137.442 139.223 PRESSAVG: 1188200 21.4743 -50.5611 -7.43703 -50.5611 -55.81 -42.0193 -7.43703 -42.0193 -25.5034 GPRESSAVG: 1188200 21.0744 -50.9313 -7.15969 -50.9508 -56.4623 -42.2792 -5.66109 -42.537 -24.9469 TIMING: 1188200 CPU: 3529.38, 0.0030052/step Wall: 3529.38, 0.0030052/step, 3.18201 hours remaining, 205.738281 MB of memory in use. ENERGY: 1188200 757.1991 2157.5421 1972.5008 113.5263 -206369.9954 17918.1349 0.0000 0.0000 33968.2120 -149482.8801 296.6528 -183451.0921 -149386.5574 297.8331 48.7565 77.8871 557526.4117 -19.9464 -20.1116 LDB: ============= START OF LOAD BALANCING ============== 3532.81 LDB: ============== END OF LOAD BALANCING =============== 3532.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3532.82 LDB: ============= START OF LOAD BALANCING ============== 3533.12 LDB: Largest compute 4821 load 0.032478 is 27.5% of average load 0.117917 LDB: Average compute 0.001715 is 1.5% of average load 0.117917 LDB: TIME 3533.12 LOAD: AVG 0.117917 MAX 0.19726 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 3533.12 LOAD: AVG 0.117917 MAX 0.19726 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: TIME 3533.12 LOAD: AVG 0.117917 MAX 0.19726 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3533.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3533.12 PRESSURE: 1188400 -46.5711 18.1664 76.5759 18.1663 -126.095 34.5865 76.5768 34.5854 -281.169 GPRESSURE: 1188400 26.8794 -25.3708 72.7222 21.6185 -102.8 75.052 92.7995 110.589 -294.144 PRESSAVG: 1188400 -26.4877 -20.8872 39.2289 -20.8872 27.0584 -22.2687 39.2288 -22.2687 13.7754 GPRESSAVG: 1188400 -26.5641 -20.2024 38.658 -20.9418 26.4917 -21.5635 39.2039 -22.5459 14.4444 TIMING: 1188400 CPU: 3529.99, 0.00305077/step Wall: 3529.99, 0.00305077/step, 3.23008 hours remaining, 206.570312 MB of memory in use. ENERGY: 1188400 772.1857 2150.4473 1935.7175 113.3610 -206301.0639 17729.1635 0.0000 0.0000 34268.2234 -149331.9655 299.2729 -183600.1889 -149237.1022 299.0924 -151.2782 -123.3549 557732.4439 4.7820 4.7907 PRESSURE: 1188600 -105.984 29.6469 -229.076 29.6463 -25.1459 142.495 -229.076 142.496 -103.57 GPRESSURE: 1188600 -98.0572 16.7982 -250.104 28.4254 -52.2272 73.7637 -167.253 149.348 4.60356 PRESSAVG: 1188600 -15.6299 60.9467 -52.944 60.9467 1.36551 -40.3412 -52.944 -40.3412 60.8361 GPRESSAVG: 1188600 -15.5626 58.8379 -54.0483 61.1406 1.03242 -38.578 -52.3569 -40.6153 61.1771 TIMING: 1188600 CPU: 3530.6, 0.00302141/step Wall: 3530.6, 0.00302141/step, 3.19884 hours remaining, 206.570312 MB of memory in use. ENERGY: 1188600 764.5273 2120.8427 1961.8665 106.0935 -206165.1195 17856.6432 0.0000 0.0000 34100.9325 -149254.2137 297.8119 -183355.1462 -149155.2210 299.2254 -78.2332 -48.5603 558501.3119 15.5239 15.5490 PRESSURE: 1188800 -208.414 -98.1492 -52.073 -98.15 200.936 -62.4781 -52.0739 -62.4797 -97.1916 GPRESSURE: 1188800 -155.775 -68.541 -80.0397 -24.1422 251.341 -60.6504 -122.704 -63.7939 -95.6351 PRESSAVG: 1188800 46.6527 -40.1543 -65.4128 -40.1545 -2.78195 60.9623 -65.4129 60.9622 -50.1665 GPRESSAVG: 1188800 47.0788 -38.4569 -65.6761 -39.8614 -3.02755 60.577 -66.3383 60.0645 -50.401 TIMING: 1188800 CPU: 3531.2, 0.00300933/step Wall: 3531.2, 0.00300933/step, 3.18587 hours remaining, 206.570312 MB of memory in use. ENERGY: 1188800 748.7014 2132.5466 1940.1762 106.3182 -206190.2147 17719.0416 0.0000 0.0000 34269.8588 -149273.5719 299.2872 -183543.4307 -149174.6449 298.6836 -34.8898 -0.0229 558522.6985 -2.0986 -2.1166 PRESSURE: 1189000 -21.3627 114.019 59.1905 114.018 -4.29039 -119.761 59.1897 -119.761 205.186 GPRESSURE: 1189000 -32.0582 45.1787 110.292 145.026 42.2766 -110.116 18.492 -156.606 263.474 PRESSAVG: 1189000 -60.228 11.2454 -46.9901 11.2453 27.0773 -16.4206 -46.9901 -16.4206 71.1124 GPRESSAVG: 1189000 -60.3081 11.4803 -48.1568 10.9759 27.0602 -18.2124 -44.6417 -14.3179 71.3766 TIMING: 1189000 CPU: 3531.8, 0.0030055/step Wall: 3531.8, 0.0030055/step, 3.18165 hours remaining, 206.570312 MB of memory in use. ENERGY: 1189000 752.3084 2099.7899 1931.9172 104.1374 -206165.6655 17938.1951 0.0000 0.0000 34136.6785 -149202.6390 298.1241 -183339.3176 -149111.5165 299.4584 59.8442 91.2308 558308.5854 12.6539 12.7096 PRESSURE: 1189200 180.197 43.4055 36.1233 43.4057 265.568 94.0269 36.1236 94.0264 58.4631 GPRESSURE: 1189200 204.111 95.5681 89.5076 25.8877 282.037 58.7539 80.0054 59.4762 102.137 PRESSAVG: 1189200 -40.9822 51.751 -2.91091 51.751 34.3749 66.6336 -2.9108 66.6337 -20.3654 GPRESSAVG: 1189200 -40.065 49.0257 -0.205563 51.4912 34.3841 67.0552 -5.74514 66.1448 -20.6874 TIMING: 1189200 CPU: 3532.4, 0.0030134/step Wall: 3532.4, 0.0030134/step, 3.18985 hours remaining, 206.570312 MB of memory in use. ENERGY: 1189200 697.9543 2117.8153 1962.4306 103.3767 -206353.7390 18018.1552 0.0000 0.0000 34114.0841 -149339.9228 297.9268 -183454.0069 -149245.2393 299.5520 168.0761 196.0948 556396.6477 -8.9909 -8.7894 PRESSURE: 1189400 150.677 -48.6132 -146.473 -48.6134 215.668 -23.2779 -146.473 -23.2776 -63.85 GPRESSURE: 1189400 140.282 6.62539 -133.118 -138.491 280.156 -111.294 -176.038 46.4584 -23.6488 PRESSAVG: 1189400 -60.9644 -22.6639 16.3365 -22.6639 97.2778 45.7972 16.3365 45.7972 -6.405 GPRESSAVG: 1189400 -62.6178 -20.83 15.6087 -22.8244 99.0459 46.0329 17.9454 46.1788 -6.08066 TIMING: 1189400 CPU: 3533, 0.0029881/step Wall: 3533, 0.0029881/step, 3.16291 hours remaining, 206.570312 MB of memory in use. ENERGY: 1189400 749.9368 2142.4212 1944.5950 110.2673 -206823.2479 18205.0811 0.0000 0.0000 34347.2266 -149323.7200 299.9629 -183670.9466 -149229.6214 299.0305 100.8316 132.2633 557442.8083 9.9695 10.1158 PRESSURE: 1189600 -293.875 35.476 -110.38 35.4758 65.691 -204.267 -110.38 -204.268 -177.519 GPRESSURE: 1189600 -274.787 64.0486 -150.511 8.76752 118.988 -236.757 -105.761 -235.648 -136.022 PRESSAVG: 1189600 -1.96797 24.131 58.5114 24.131 36.5867 -11.9088 58.5115 -11.9088 -25.0899 GPRESSAVG: 1189600 -0.875718 23.4327 60.0563 24.4724 35.3198 -10.5976 57.7868 -13.351 -25.0346 TIMING: 1189600 CPU: 3533.6, 0.0030035/step Wall: 3533.6, 0.0030035/step, 3.17904 hours remaining, 206.570312 MB of memory in use. ENERGY: 1189600 777.4264 2114.1346 1938.4935 109.6462 -205993.9141 17709.2337 0.0000 0.0000 34112.5632 -149232.4165 297.9135 -183344.9797 -149143.8775 299.1231 -135.2343 -97.2735 558527.3444 3.1763 3.1365 PRESSURE: 1189800 145.557 49.5342 31.635 49.5345 65.3006 -53.6216 31.6344 -53.6226 217.047 GPRESSURE: 1189800 167.388 76.1706 46.8199 -6.24926 115.047 -65.4908 44.7859 -53.7465 248.014 PRESSAVG: 1189800 66.6658 13.0957 80.0915 13.0958 13.6644 45.895 80.0915 45.8949 -49.6167 GPRESSAVG: 1189800 66.5721 12.8998 78.3716 11.9086 13.0104 45.7176 79.7358 47.164 -49.6484 TIMING: 1189800 CPU: 3534.2, 0.00297322/step Wall: 3534.2, 0.00297322/step, 3.14682 hours remaining, 206.570312 MB of memory in use. ENERGY: 1189800 730.4064 2067.5605 1925.5580 120.3441 -206165.4826 18031.8694 0.0000 0.0000 34220.4228 -149069.3215 298.8555 -183289.7443 -148971.6832 298.6364 142.6347 176.8165 557778.1855 10.2378 9.9780 PRESSURE: 1190000 -167.37 -28.5371 -98.3362 -28.5378 -179.041 -30.196 -98.3363 -30.1973 -441.228 GPRESSURE: 1190000 -159.639 -63.9329 -28.4502 155.864 -115.578 -25.5757 -90.8527 -72.8839 -413.108 PRESSAVG: 1190000 35.1544 29.1443 -15.4014 29.1442 -54.3994 -7.75225 -15.4014 -7.75228 5.36724 GPRESSAVG: 1190000 34.1846 30.2957 -17.152 30.2239 -52.9059 -7.22573 -13.9932 -9.48179 5.17749 TIMING: 1190000 CPU: 3534.8, 0.00300261/step Wall: 3534.8, 0.00300261/step, 3.17776 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: 1190000 797.4507 2110.4695 1916.0604 125.2754 -205887.6551 17630.0184 0.0000 0.0000 34380.9188 -148927.4620 300.2571 -183308.3808 -148830.3777 299.9606 -262.5464 -229.4414 558541.5517 -4.6259 -4.5146 PRESSURE: 1190200 27.8846 177.448 169.865 177.449 -210.163 40.7899 169.866 40.7894 -108.063 GPRESSURE: 1190200 27.7014 165.968 144.914 85.896 -130.403 125.091 182.666 54.9318 -97.0507 PRESSAVG: 1190200 65.3643 74.8418 17.8966 74.8418 -9.16594 3.25719 17.8967 3.25717 -27.1058 GPRESSAVG: 1190200 66.0071 75.2948 19.6032 72.2899 -9.21853 3.19026 17.6891 5.27458 -28.3799 TIMING: 1190200 CPU: 3535.4, 0.00299374/step Wall: 3535.4, 0.00299374/step, 3.1682 hours remaining, 206.570312 MB of memory in use. ENERGY: 1190200 770.3558 2131.5674 1916.4595 124.7815 -206160.6304 17779.8475 0.0000 0.0000 34188.1287 -149249.4900 298.5734 -183437.6187 -149143.9192 299.5022 -96.7806 -66.5842 558492.3685 9.6975 9.4696 PRESSURE: 1190400 -235.033 261.641 21.4114 261.64 274.039 92.4282 21.4117 92.4276 -176.345 GPRESSURE: 1190400 -207.605 267.48 3.23647 327.727 313.571 118.468 -53.5954 120.911 -146.037 PRESSAVG: 1190400 -43.1449 41.3208 56.8788 41.3208 6.05669 8.04322 56.8788 8.04311 -12.5991 GPRESSAVG: 1190400 -41.5596 42.5983 57.4549 41.9278 4.21558 7.27192 56.5318 8.08215 -12.2914 TIMING: 1190400 CPU: 3535.99, 0.00297677/step Wall: 3535.99, 0.00297677/step, 3.15008 hours remaining, 206.570312 MB of memory in use. ENERGY: 1190400 742.0337 2013.7149 1941.3846 108.5883 -205858.9047 17617.3024 0.0000 0.0000 34276.0660 -149159.8149 299.3414 -183435.8809 -149064.0231 298.6562 -45.7799 -13.3573 557471.6898 -16.5624 -16.5451 PRESSURE: 1190600 -74.3908 -112.851 -35.2942 -112.85 -290.306 24.0317 -35.2925 24.0316 -208.01 GPRESSURE: 1190600 -38.5914 -76.809 4.60426 -141.967 -284.662 49.924 -124.503 60.1134 -144.866 PRESSAVG: 1190600 39.4354 24.9874 65.1688 24.9875 -3.5274 -55.2426 65.1689 -55.2426 28.2303 GPRESSAVG: 1190600 38.308 24.1373 65.6371 26.9454 -2.62366 -55.7124 63.8922 -55.8718 28.6637 TIMING: 1190600 CPU: 3536.58, 0.00296293/step Wall: 3536.58, 0.00296293/step, 3.13528 hours remaining, 206.570312 MB of memory in use. ENERGY: 1190600 782.2576 2151.8090 1941.3620 100.8612 -206458.0576 17735.2461 0.0000 0.0000 34325.4036 -149421.1180 299.7723 -183746.5216 -149327.2761 299.3258 -190.9025 -156.0395 557961.5683 21.3795 21.4493 PRESSURE: 1190800 -241.469 139.155 80.5398 139.156 -152.162 -51.345 80.5407 -51.3435 -76.7519 GPRESSURE: 1190800 -139.256 81.9749 73.5991 185.795 -173.268 -39.5733 30.5702 16.4973 -76.2538 PRESSAVG: 1190800 16.8978 13.764 53.7443 13.764 -3.15041 -56.9652 53.7443 -56.9652 -11.1987 GPRESSAVG: 1190800 16.8258 12.9103 53.6045 12.8658 -1.28798 -57.3562 53.4027 -55.5849 -12.721 TIMING: 1190800 CPU: 3537.18, 0.0029683/step Wall: 3537.18, 0.0029683/step, 3.14079 hours remaining, 206.570312 MB of memory in use. ENERGY: 1190800 742.2973 2116.9086 1945.6853 123.8261 -205922.6122 17635.9946 0.0000 0.0000 34244.7265 -149113.1737 299.0677 -183357.9002 -149025.9703 299.1615 -156.7941 -129.5926 558191.8101 0.8495 0.9389 PRESSURE: 1191000 63.2854 -164.812 155.405 -164.811 -3.04954 33.5667 155.404 33.5656 -3.20101 GPRESSURE: 1191000 96.7772 -191.953 165.334 -151.438 20.7917 119.041 187.682 42.9252 60.1601 PRESSAVG: 1191000 58.7965 53.4066 24.7705 53.4066 32.5334 30.1914 24.7706 30.1914 -85.8075 GPRESSAVG: 1191000 59.1603 54.4919 25.8655 51.6102 31.973 30.9264 24.9848 28.3949 -84.8773 TIMING: 1191000 CPU: 3537.78, 0.00300368/step Wall: 3537.78, 0.00300368/step, 3.17806 hours remaining, 206.570312 MB of memory in use. ENERGY: 1191000 727.1624 2116.2781 1940.1052 117.3483 -206024.1583 17864.5883 0.0000 0.0000 33969.7414 -149288.9345 296.6662 -183258.6759 -149189.8569 299.1514 19.0116 59.2430 558075.0328 1.8408 2.0853 PRESSURE: 1191200 2.19375 -34.6391 -6.10442 -34.6388 153.493 26.0403 -6.10358 26.037 -168.771 GPRESSURE: 1191200 47.8177 -2.24646 52.5763 -34.2107 188.79 24.1024 12.104 87.7663 -140.285 PRESSAVG: 1191200 36.9029 15.1704 26.8038 15.1704 19.7 31.3136 26.8038 31.3134 -59.0156 GPRESSAVG: 1191200 37.6405 14.0063 27.2426 16.6674 18.4931 30.6693 26.7283 30.4448 -58.582 TIMING: 1191200 CPU: 3538.38, 0.0030078/step Wall: 3538.38, 0.00300779/step, 3.18225 hours remaining, 206.570312 MB of memory in use. ENERGY: 1191200 745.2749 2109.7772 1933.2635 102.2735 -206267.4269 17869.9453 0.0000 0.0000 34214.2890 -149292.6035 298.8019 -183506.8925 -149203.6561 298.9998 -4.3616 32.1077 557036.9674 -0.8042 -0.8162 PRESSURE: 1191400 -31.4485 -112.737 -18.8899 -112.738 36.7129 -60.3508 -18.891 -60.3523 -108.601 GPRESSURE: 1191400 -43.4551 -181.802 78.41 -95.1113 90.0433 -63.3393 -62.3109 -50.4091 -45.7868 PRESSAVG: 1191400 -2.35368 -31.6793 33.2531 -31.6793 44.9594 -5.4935 33.2531 -5.49359 -53.067 GPRESSAVG: 1191400 -2.7832 -31.9183 33.072 -31.7413 45.964 -4.61812 33.9778 -4.70131 -52.7525 TIMING: 1191400 CPU: 3538.98, 0.00301946/step Wall: 3538.98, 0.00301946/step, 3.19442 hours remaining, 206.570312 MB of memory in use. ENERGY: 1191400 771.3225 2116.9522 1934.6849 114.1472 -206153.4841 17658.4324 0.0000 0.0000 34280.8369 -149277.1079 299.3831 -183557.9449 -149187.2150 298.7131 -34.4454 0.2671 557064.4138 -3.4871 -3.1905 PRESSURE: 1191600 -33.0931 -137.958 95.321 -137.957 -106.714 58.9742 95.3207 58.9752 -397.278 GPRESSURE: 1191600 5.8838 -102.629 103.242 -130.544 -111.636 130.252 79.6075 -30.9265 -323.838 PRESSAVG: 1191600 11.8531 -31.5378 5.6455 -31.5378 4.4417 56.1328 5.64558 56.1329 -1.10059 GPRESSAVG: 1191600 11.7001 -31.4919 2.4564 -30.7197 4.75469 55.951 6.3136 55.822 -1.63417 TIMING: 1191600 CPU: 3539.59, 0.00300767/step Wall: 3539.59, 0.00300767/step, 3.18178 hours remaining, 206.570312 MB of memory in use. ENERGY: 1191600 746.9066 2100.2731 1935.4352 117.3038 -205812.7125 17430.1687 0.0000 0.0000 34153.5436 -149329.0815 298.2714 -183482.6250 -149237.0129 299.3561 -179.0286 -143.1969 556201.6399 5.0647 4.9402 PRESSURE: 1191800 -167.726 29.8525 -203.709 29.8528 254.22 -163.463 -203.709 -163.462 -277.619 GPRESSURE: 1191800 -123.623 20.9584 -160.03 9.08248 272.659 -130.78 -194.211 -172.686 -241.417 PRESSAVG: 1191800 34.111 -4.39654 -21.4944 -4.39656 -0.00832037 40.6463 -21.4945 40.6463 -31.0942 GPRESSAVG: 1191800 34.3218 -3.56968 -20.1339 -3.65236 -0.425265 40.0327 -20.905 42.4538 -30.9246 TIMING: 1191800 CPU: 3540.18, 0.00297626/step Wall: 3540.18, 0.00297626/step, 3.14839 hours remaining, 206.570312 MB of memory in use. ENERGY: 1191800 712.1561 2112.4851 1939.8773 119.7085 -205762.5457 17528.1748 0.0000 0.0000 34048.1990 -149301.9450 297.3514 -183350.1439 -149208.0074 298.5817 -63.7084 -30.7935 556636.0532 1.0028 0.9906 PRESSURE: 1192000 -202.608 -24.0582 -1.33436 -24.0585 19.97 35.9778 -1.33525 35.9795 -219.648 GPRESSURE: 1192000 -132.18 -88.9429 30.8374 73.3969 50.6484 -46.4608 -1.87088 79.0517 -218.296 PRESSAVG: 1192000 67.7314 -29.3627 -15.7887 -29.3626 -14.9453 21.1642 -15.7887 21.1642 -2.86102 GPRESSAVG: 1192000 68.8012 -30.7545 -13.9597 -29.8107 -15.6465 22.1065 -17.2011 19.9527 -2.73133 TIMING: 1192000 CPU: 3540.78, 0.00301233/step Wall: 3540.78, 0.00301233/step, 3.18637 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: 1192000 714.4943 2078.9843 1950.2229 115.7340 -205816.6440 17609.2259 0.0000 0.0000 34014.4956 -149333.4870 297.0571 -183347.9826 -149232.3352 298.4456 -134.0953 -99.9424 558856.7205 16.6417 16.8078 PRESSURE: 1192200 -49.5453 -34.6626 85.0877 -34.663 -259.611 62.3214 85.0874 62.3222 24.3348 GPRESSURE: 1192200 -40.8444 -9.17357 105.983 -84.95 -230.81 140.341 -12.6446 -70.1106 75.5547 PRESSAVG: 1192200 -34.871 -24.6754 17.1673 -24.6753 -4.46506 -52.6413 17.1672 -52.6414 4.84767 GPRESSAVG: 1192200 -36.802 -22.7949 15.4917 -26.3238 -2.41486 -54.094 16.9252 -52.5903 4.37315 TIMING: 1192200 CPU: 3541.38, 0.00299642/step Wall: 3541.38, 0.00299642/step, 3.16938 hours remaining, 206.570312 MB of memory in use. ENERGY: 1192200 750.7277 2094.9743 1939.3862 116.6386 -206290.3657 17719.7134 0.0000 0.0000 34255.0980 -149413.8275 299.1583 -183668.9255 -149317.8831 298.2266 -94.9404 -65.3666 559543.0072 -11.4961 -11.6146 LDB: ============= START OF LOAD BALANCING ============== 3544.82 LDB: ============== END OF LOAD BALANCING =============== 3544.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3544.82 LDB: ============= START OF LOAD BALANCING ============== 3545.12 LDB: Largest compute 4821 load 0.032573 is 27.6% of average load 0.117881 LDB: Average compute 0.001708 is 1.4% of average load 0.117881 LDB: TIME 3545.12 LOAD: AVG 0.117881 MAX 0.197207 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.598 MB LDB: TIME 3545.12 LOAD: AVG 0.117881 MAX 0.197207 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.598 MB LDB: TIME 3545.12 LOAD: AVG 0.117881 MAX 0.197207 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.598 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3545.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3545.13 PRESSURE: 1192400 -159.943 29.2632 20.3601 29.2636 -349.43 58.6698 20.3596 58.6697 -83.778 GPRESSURE: 1192400 -91.8609 21.1966 141.669 16.6884 -304.597 33.8988 -5.13862 3.56603 -107.658 PRESSAVG: 1192400 -20.2474 14.4123 -37.9086 14.4123 -37.2855 -24.1764 -37.9086 -24.1764 21.0396 GPRESSAVG: 1192400 -19.8403 15.7137 -37.4402 14.415 -38.986 -24.9382 -39.4254 -23.783 22.8401 TIMING: 1192400 CPU: 3542, 0.00309295/step Wall: 3542, 0.00309295/step, 3.27131 hours remaining, 206.117188 MB of memory in use. ENERGY: 1192400 781.2083 2123.3453 1938.1419 117.7167 -205898.4133 17514.6684 0.0000 0.0000 34073.0659 -149350.2668 297.5686 -183423.3327 -149254.9554 297.9333 -197.7172 -168.0386 560056.6193 -12.1644 -11.9954 PRESSURE: 1192600 -295.7 -97.1345 9.40479 -97.1356 -149.894 -75.9408 9.40498 -75.9387 -151.701 GPRESSURE: 1192600 -283.659 -61.6721 -13.272 -112.641 -65.517 -39.7654 16.6156 -96.7169 -161.188 PRESSAVG: 1192600 -65.4087 -11.37 -1.8249 -11.37 6.25791 36.165 -1.82489 36.1649 -2.74438 GPRESSAVG: 1192600 -65.1389 -12.7828 -0.59625 -10.3894 6.95977 37.5911 -0.725991 34.8785 -4.275 TIMING: 1192600 CPU: 3542.61, 0.00303464/step Wall: 3542.61, 0.00303464/step, 3.20947 hours remaining, 206.117188 MB of memory in use. ENERGY: 1192600 779.5358 2046.4086 1926.2149 106.6107 -205788.5628 17558.8246 0.0000 0.0000 34076.6846 -149294.2837 297.6002 -183370.9684 -149191.8090 298.8800 -199.0983 -170.1214 559293.2484 -20.6317 -20.8180 PRESSURE: 1192800 -60.2861 132.751 -41.0602 132.75 231.648 6.475 -41.061 6.47528 -204.471 GPRESSURE: 1192800 -28.2209 146.74 -88.768 90.5747 281.942 61.2812 -7.45281 -38.5385 -183.578 PRESSAVG: 1192800 28.0805 -42.3626 16.6234 -42.3626 22.3899 14.0822 16.6235 14.0822 -17.8531 GPRESSAVG: 1192800 28.6894 -40.8422 14.1825 -43.5365 20.1098 14.7487 17.7453 13.9281 -16.2483 TIMING: 1192800 CPU: 3543.21, 0.0029972/step Wall: 3543.21, 0.0029972/step, 3.16971 hours remaining, 206.117188 MB of memory in use. ENERGY: 1192800 736.2703 2107.9520 1945.8087 123.7382 -206374.8275 17879.0400 0.0000 0.0000 34129.5172 -149452.5010 298.0616 -183582.0183 -149357.0039 298.6297 -11.0366 23.3809 558783.2577 10.8724 10.8503 PRESSURE: 1193000 -24.2191 31.6141 -73.8924 31.6134 265.76 6.03413 -73.8923 6.03443 -143.396 GPRESSURE: 1193000 44.1557 115.574 -92.6811 -119.946 303.879 36.8056 -62.581 -28.8814 -159.14 PRESSAVG: 1193000 25.1552 -24.9406 4.26509 -24.9407 31.5791 -60.7258 4.26504 -60.7258 -16.6348 GPRESSAVG: 1193000 25.8576 -26.8372 3.80634 -23.4213 31.5293 -62.474 5.72228 -58.9227 -17.6116 TIMING: 1193000 CPU: 3543.8, 0.00297524/step Wall: 3543.8, 0.00297524/step, 3.14632 hours remaining, 206.117188 MB of memory in use. ENERGY: 1193000 749.1137 2132.2830 1950.4045 109.4986 -206398.3703 17915.4671 0.0000 0.0000 34113.0730 -149428.5304 297.9180 -183541.6035 -149337.6009 298.8360 32.7147 62.9648 558848.4394 13.3665 13.2584 PRESSURE: 1193200 -54.6294 78.8299 -17.6619 78.8304 -21.2077 -71.7844 -17.6617 -71.7825 -105.958 GPRESSURE: 1193200 -24.939 112.444 -71.0211 11.2631 62.8429 -49.6267 24.9141 -76.0431 -125.985 PRESSAVG: 1193200 12.5207 -20.2484 -23.6882 -20.2483 6.98861 -28.0281 -23.6884 -28.0282 -26.0081 GPRESSAVG: 1193200 11.9053 -21.4289 -21.249 -20.9211 7.4047 -27.0348 -26.8624 -27.5915 -26.0675 TIMING: 1193200 CPU: 3544.4, 0.00299371/step Wall: 3544.4, 0.00299371/step, 3.16569 hours remaining, 206.117188 MB of memory in use. ENERGY: 1193200 767.2557 2109.6958 1954.7001 111.3954 -206334.9627 17934.4107 0.0000 0.0000 34094.3843 -149363.1207 297.7547 -183457.5050 -149269.4492 298.0273 -60.5982 -29.3604 558546.0199 -2.1663 -2.2525 PRESSURE: 1193400 -49.3789 12.5918 87.3185 12.591 33.863 126.53 87.3182 126.53 -48.023 GPRESSURE: 1193400 -13.0024 -7.77142 55.6491 1.5923 81.9805 5.011 64.82 131.855 -22.9759 PRESSAVG: 1193400 -0.602847 12.6324 -39.417 12.6324 52.5848 41.3246 -39.4169 41.3246 -57.3128 GPRESSAVG: 1193400 -1.29585 13.0566 -39.7586 12.6677 54.0041 40.0869 -39.9523 42.412 -58.0655 TIMING: 1193400 CPU: 3545, 0.00301454/step Wall: 3545, 0.00301454/step, 3.18754 hours remaining, 206.117188 MB of memory in use. ENERGY: 1193400 748.0878 2101.3246 1934.1049 102.0604 -206262.4124 17927.8265 0.0000 0.0000 34350.1959 -149098.8123 299.9888 -183449.0082 -149002.0779 299.0779 -21.1796 15.3341 559492.2170 -1.7770 -1.7858 PRESSURE: 1193600 -57.911 15.4053 110.787 15.4071 -33.3172 -13.4326 110.785 -13.4339 -221.938 GPRESSURE: 1193600 -39.7631 54.3031 122.631 -7.1923 20.1501 -130.301 60.4864 1.16652 -189.801 PRESSAVG: 1193600 -43.4893 -30.5691 44.89 -30.569 26.1451 42.1738 44.89 42.1738 29.8043 GPRESSAVG: 1193600 -42.7286 -30.5691 44.7985 -30.8019 24.0682 40.2841 48.1501 42.1494 30.7032 TIMING: 1193600 CPU: 3545.6, 0.00299798/step Wall: 3545.6, 0.00299798/step, 3.16986 hours remaining, 206.117188 MB of memory in use. ENERGY: 1193600 742.1246 2169.3300 1942.8891 127.0246 -206337.0538 17791.5413 0.0000 0.0000 34409.1605 -149154.9837 300.5038 -183564.1441 -149061.5834 299.9201 -104.3888 -69.8046 558508.4297 4.1534 4.0143 PRESSURE: 1193800 -2.55465 135.746 77.6162 135.744 -33.7527 116.661 77.616 116.662 125.052 GPRESSURE: 1193800 34.1028 112.847 140.594 70.0776 -25.3306 251.507 -12.3329 110.594 173.002 PRESSAVG: 1193800 -0.242919 28.6545 -31.341 28.6545 8.96028 36.8008 -31.3411 36.8008 -2.48318 GPRESSAVG: 1193800 -1.54938 29.7522 -31.5889 28.2139 10.3207 38.9493 -32.799 36.1651 -2.83297 TIMING: 1193800 CPU: 3546.21, 0.00301385/step Wall: 3546.21, 0.00301385/step, 3.18648 hours remaining, 206.117188 MB of memory in use. ENERGY: 1193800 766.5150 2041.9285 1969.7232 106.2074 -206422.4091 18048.3947 0.0000 0.0000 34246.7279 -149242.9122 299.0852 -183489.6402 -149152.3806 299.1551 29.5816 60.5914 557948.6632 2.0781 1.9794 PRESSURE: 1194000 -76.2137 52.0639 -91.79 52.0639 -184.718 70.1991 -91.7883 70.1988 149.528 GPRESSURE: 1194000 -40.3946 7.0683 -98.162 117.714 -150.701 59.4228 13.5871 70.3911 154.659 PRESSAVG: 1194000 -27.0659 -33.1979 14.939 -33.1979 -47.008 52.6182 14.9391 52.6182 22.6886 GPRESSAVG: 1194000 -26.7501 -33.483 14.7906 -33.043 -47.548 53.6734 14.4608 52.0379 22.4812 TIMING: 1194000 CPU: 3546.81, 0.00301709/step Wall: 3546.81, 0.00301709/step, 3.18973 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: 1194000 733.7848 2102.9930 1994.4373 119.5713 -206193.5482 17857.8815 0.0000 0.0000 34178.3123 -149206.5680 298.4877 -183384.8803 -149110.8001 298.3730 -37.1345 -12.1456 559114.0316 -17.1284 -17.2723 PRESSURE: 1194200 -167.478 -43.8275 -39.294 -43.8274 76.0442 101.556 -39.2936 101.556 -164.126 GPRESSURE: 1194200 -116.657 -47.5502 -19.5842 -74.0655 71.4907 76.3123 -6.92244 64.817 -113.551 PRESSAVG: 1194200 -38.7659 29.6057 -29.5482 29.6058 55.503 50.0412 -29.5482 50.0413 -58.199 GPRESSAVG: 1194200 -39.2574 28.4002 -30.1349 30.1285 55.2394 48.9004 -30.4885 50.7652 -57.4286 TIMING: 1194200 CPU: 3547.41, 0.00300642/step Wall: 3547.41, 0.00300642/step, 3.17828 hours remaining, 206.117188 MB of memory in use. ENERGY: 1194200 789.8274 2089.1280 1920.2149 92.9465 -206403.1949 17876.8060 0.0000 0.0000 34451.0587 -149183.2134 300.8697 -183634.2722 -149082.5141 299.4968 -85.1866 -52.9057 558065.5312 -13.8206 -13.8155 PRESSURE: 1194400 -174.318 -17.7089 -83.6605 -17.7094 45.4175 77.7543 -83.6607 77.754 231.282 GPRESSURE: 1194400 -120.143 -9.77377 -58.6257 0.449628 107.086 49.5543 -107.522 79.9695 211.848 PRESSAVG: 1194400 13.2656 -6.84597 16.9307 -6.84605 91.5311 31.1411 16.9307 31.1412 -80.4247 GPRESSAVG: 1194400 13.8786 -6.34275 16.7878 -7.42709 91.4402 31.6388 18.5473 31.8536 -81.0311 TIMING: 1194400 CPU: 3548.01, 0.00297783/step Wall: 3548.01, 0.00297783/step, 3.1479 hours remaining, 206.117188 MB of memory in use. ENERGY: 1194400 742.4445 2105.1915 1947.7381 113.6818 -206330.8217 17962.8371 0.0000 0.0000 34311.4903 -149147.4385 299.6508 -183458.9287 -149051.6652 299.4261 34.1272 66.2636 557933.6023 8.1240 8.0959 PRESSURE: 1194600 -97.0067 62.1821 33.6496 62.1828 -119.192 -3.95528 33.65 -3.95725 -207.98 GPRESSURE: 1194600 -134.698 56.5582 82.4428 13.8114 -45.8755 -55.9536 89.9288 57.5213 -144.423 PRESSAVG: 1194600 -77.2051 -0.843201 16.634 -0.843137 16.6228 0.788649 16.6339 0.788658 33.249 GPRESSAVG: 1194600 -78.618 -2.0499 18.5789 -2.45455 16.7564 1.90252 17.2944 -2.24055 34.6407 TIMING: 1194600 CPU: 3548.61, 0.00302621/step Wall: 3548.61, 0.00302621/step, 3.19887 hours remaining, 206.117188 MB of memory in use. ENERGY: 1194600 715.7184 2102.0999 1972.8335 102.0377 -205984.7810 17590.4375 0.0000 0.0000 34388.6141 -149113.0398 300.3243 -183501.6540 -149014.0904 300.0268 -141.3930 -108.3321 560519.9902 -9.1111 -9.0736 PRESSURE: 1194800 215.353 192.896 4.32396 192.897 167.017 -99.6307 4.32398 -99.6291 143.023 GPRESSURE: 1194800 221.837 329.786 -7.62135 115.649 197.254 -76.6362 -111.661 -146.729 207.083 PRESSAVG: 1194800 -61.1666 15.2039 16.5603 15.204 13.4472 -33.5873 16.5602 -33.5873 62.6244 GPRESSAVG: 1194800 -60.5322 15.5261 17.3002 17.4 13.5096 -34.7088 14.41 -31.3211 61.7454 TIMING: 1194800 CPU: 3549.22, 0.00304984/step Wall: 3549.22, 0.00304984/step, 3.22369 hours remaining, 206.117188 MB of memory in use. ENERGY: 1194800 768.8565 2096.3105 1982.0254 101.5238 -206262.5795 17902.4623 0.0000 0.0000 34415.8530 -148995.5480 300.5622 -183411.4010 -148898.8769 299.4896 175.1312 208.7248 556179.4271 4.9684 4.9076 PRESSURE: 1195000 -226.56 -3.32723 15.9049 -3.32653 -26.449 -13.4647 15.9047 -13.4636 -316.668 GPRESSURE: 1195000 -172.321 -49.8115 -23.2433 -37.6165 -41.6421 -28.3926 35.7247 -9.34862 -262.421 PRESSAVG: 1195000 94.9392 -14.1407 -68.8187 -14.1405 0.464674 -47.3318 -68.8187 -47.3316 -51.8362 GPRESSAVG: 1195000 96.2797 -13.8253 -71.1817 -16.5894 -0.832643 -46.3645 -65.3866 -47.5651 -52.2274 TIMING: 1195000 CPU: 3549.83, 0.00303335/step Wall: 3549.83, 0.00303335/step, 3.20608 hours remaining, 206.117188 MB of memory in use. ENERGY: 1195000 743.3647 2107.1811 1971.6142 108.7960 -205756.8102 17480.3795 0.0000 0.0000 34442.9929 -148902.4818 300.7992 -183345.4747 -148802.5151 300.2548 -189.8923 -158.7949 558504.6803 14.5225 14.4066 PRESSURE: 1195200 -322.456 -14.8186 10.3958 -14.8198 -73.7875 -17.3312 10.3958 -17.3293 -66.5023 GPRESSURE: 1195200 -296.549 -20.6599 -70.9226 -41.7178 -12.8105 -49.5082 64.1288 -27.9855 -67.3767 PRESSAVG: 1195200 -38.621 2.08914 -29.7897 2.08911 23.6162 -43.1047 -29.7897 -43.1046 5.92952 GPRESSAVG: 1195200 -40.7684 4.00666 -30.5905 3.73245 25.3157 -44.4437 -30.8081 -42.1665 6.69257 TIMING: 1195200 CPU: 3550.43, 0.00302038/step Wall: 3550.43, 0.00302038/step, 3.1922 hours remaining, 206.117188 MB of memory in use. ENERGY: 1195200 744.1487 2101.1009 1989.4719 111.6230 -205309.1097 17407.5880 0.0000 0.0000 34320.5700 -148634.6071 299.7301 -182955.1772 -148541.1065 300.7844 -154.2485 -125.5789 558336.2438 -3.0251 -2.9200 PRESSURE: 1195400 -187.942 50.0887 97.4154 50.0892 202.017 -110.129 97.4159 -110.129 21.7916 GPRESSURE: 1195400 -119.645 114.143 166.311 59.5503 186.382 -178.84 128.219 -81.1209 80.9937 PRESSAVG: 1195400 -84.6379 14.6527 35.3213 14.6528 100.369 -8.25558 35.3213 -8.25557 -26.3042 GPRESSAVG: 1195400 -81.7698 13.5663 34.3911 14.5126 98.2598 -6.30126 36.3241 -10.0676 -26.6578 TIMING: 1195400 CPU: 3551.03, 0.00300557/step Wall: 3551.03, 0.00300557/step, 3.17639 hours remaining, 206.117188 MB of memory in use. ENERGY: 1195400 785.4089 2074.7368 1975.2669 110.6715 -206165.5920 17817.2294 0.0000 0.0000 34458.2342 -148944.0444 300.9323 -183402.2786 -148835.8090 300.6095 11.9553 49.2435 557609.2517 -3.5243 -3.3893 PRESSURE: 1195600 -187.826 -20.807 -52.4611 -20.8066 159.718 -7.28891 -52.4602 -7.2889 -101.501 GPRESSURE: 1195600 -159.221 42.1855 -14.6666 -11.2412 174.181 16.9922 -66.264 -11.5301 -50.3883 PRESSAVG: 1195600 -39.3453 35.0819 42.7034 35.082 85.1302 -7.70322 42.7035 -7.70312 -43.9387 GPRESSAVG: 1195600 -40.9463 34.1941 45.7004 35.3412 86.2067 -9.05563 40.1318 -7.32351 -44.5311 TIMING: 1195600 CPU: 3551.63, 0.00298963/step Wall: 3551.63, 0.00298963/step, 3.15938 hours remaining, 206.117188 MB of memory in use. ENERGY: 1195600 737.7812 2153.8825 1970.3093 114.4142 -205942.7094 17617.2657 0.0000 0.0000 34601.9024 -148747.1541 302.1870 -183349.0565 -148655.0243 300.3588 -43.2033 -11.8093 559655.6712 0.6154 0.2431 PRESSURE: 1195800 280.425 33.0315 65.6405 33.0308 -37.1087 -57.6028 65.6385 -57.6034 -134.901 GPRESSURE: 1195800 246.933 71.4294 126.201 124.363 17.809 -82.3974 -18.7218 -119.008 -62.4398 PRESSAVG: 1195800 6.7224 11.3481 47.8271 11.3481 43.2809 17.9752 47.827 17.9752 -67.2807 GPRESSAVG: 1195800 6.24854 9.8949 49.2631 10.803 43.6273 18.5242 48.9879 19.0077 -67.3236 TIMING: 1195800 CPU: 3552.23, 0.00299522/step Wall: 3552.23, 0.00299522/step, 3.16512 hours remaining, 206.117188 MB of memory in use. ENERGY: 1195800 756.1211 2171.2784 1948.5268 108.2422 -206093.7149 18032.4727 0.0000 0.0000 34336.6911 -148740.3826 299.8709 -183077.0737 -148643.3041 300.8909 36.1386 67.4340 559399.0953 -5.7591 -5.8159 PRESSURE: 1196000 52.5062 141.004 36.5033 141.003 -74.8738 -101.069 36.5035 -101.068 -5.00479 GPRESSURE: 1196000 29.372 58.5294 104.047 163.802 -30.8736 -133.892 49.5924 -154.03 63.7444 PRESSAVG: 1196000 -12.547 8.25461 6.16157 8.25471 22.5218 -34.959 6.16151 -34.9589 -30.6088 GPRESSAVG: 1196000 -12.2037 8.88659 5.84578 9.84304 22.3166 -35.8698 4.69463 -34.1954 -30.2412 TIMING: 1196000 CPU: 3552.83, 0.00299227/step Wall: 3552.83, 0.00299227/step, 3.16183 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: 1196000 777.5706 2131.7285 1956.0672 108.3281 -205908.9100 17769.2920 0.0000 0.0000 34463.2334 -148702.6902 300.9760 -183165.9236 -148606.4841 300.4406 -9.1241 20.7476 557151.9409 -6.8780 -6.7094 PRESSURE: 1196200 70.7065 -2.15601 54.8009 -2.15705 -127.521 -0.583205 54.8016 -0.583571 70.1778 GPRESSURE: 1196200 53.5815 -10.1049 81.4234 -49.6147 -60.9993 5.18173 -38.7492 62.7142 115.375 PRESSAVG: 1196200 52.1467 -21.4124 6.0338 -21.4124 10.7892 -23.3851 6.03383 -23.3851 -19.137 GPRESSAVG: 1196200 52.4569 -21.4827 4.5457 -23.0223 9.27187 -22.9358 7.6113 -23.4106 -18.0483 TIMING: 1196200 CPU: 3553.43, 0.00300208/step Wall: 3553.43, 0.00300208/step, 3.17203 hours remaining, 206.117188 MB of memory in use. ENERGY: 1196200 720.2130 2117.9771 1957.1294 108.8584 -205979.2258 17578.8898 0.0000 0.0000 34493.3696 -149002.7885 301.2392 -183496.1581 -148895.7845 300.2241 4.4544 35.9859 556733.8215 14.5997 14.5602 LDB: ============= START OF LOAD BALANCING ============== 3556.86 LDB: ============== END OF LOAD BALANCING =============== 3556.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3556.86 LDB: ============= START OF LOAD BALANCING ============== 3557.16 LDB: Largest compute 4821 load 0.033773 is 28.6% of average load 0.117946 LDB: Average compute 0.001706 is 1.4% of average load 0.117946 LDB: TIME 3557.16 LOAD: AVG 0.117946 MAX 0.195916 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.246 MB LDB: TIME 3557.17 LOAD: AVG 0.117946 MAX 0.195916 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.25 MB LDB: TIME 3557.17 LOAD: AVG 0.117946 MAX 0.195916 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.25 MB LDB: ============== END OF LOAD BALANCING =============== 3557.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3557.17 PRESSURE: 1196400 299.684 -5.92407 78.2484 -5.92522 76.8691 68.4758 78.2482 68.4758 297.261 GPRESSURE: 1196400 343.844 -2.12428 77.8155 3.93919 105.678 -11.6013 107.643 112.914 317.963 PRESSAVG: 1196400 6.02663 -45.5387 43.5986 -45.5385 -4.42583 -10.0301 43.5986 -10.0301 4.59652 GPRESSAVG: 1196400 6.90877 -44.4899 42.3961 -45.0645 -3.42841 -8.49415 44.6255 -11.2143 2.16332 TIMING: 1196400 CPU: 3554.04, 0.00305793/step Wall: 3554.04, 0.00305793/step, 3.23087 hours remaining, 206.507812 MB of memory in use. ENERGY: 1196400 693.7631 2101.4603 1967.2692 112.5519 -206253.7026 17954.1154 0.0000 0.0000 34176.5558 -149247.9868 298.4724 -183424.5427 -149150.7490 299.9498 224.6047 255.8281 557167.4248 2.0658 1.8812 PRESSURE: 1196600 97.8756 77.8885 83.29 77.8883 -63.5906 -44.7118 83.2897 -44.7112 66.1488 GPRESSURE: 1196600 139.809 112.987 172.283 8.19594 -31.0551 -104.748 -3.37683 4.1468 97.3038 PRESSAVG: 1196600 62.6795 1.26297 -13.4945 1.2631 -6.65501 15.0175 -13.4945 15.0177 -39.3468 GPRESSAVG: 1196600 62.6083 0.428649 -12.6283 0.399186 -7.50466 14.2362 -13.7375 16.6009 -38.7016 TIMING: 1196600 CPU: 3554.64, 0.00301472/step Wall: 3554.64, 0.00301472/step, 3.18506 hours remaining, 206.710938 MB of memory in use. ENERGY: 1196600 774.2991 2124.4128 1960.0959 116.6978 -206412.6198 17912.6048 0.0000 0.0000 34427.5931 -149096.9162 300.6647 -183524.5093 -149000.9436 299.8304 33.4779 68.6860 557445.3586 5.5593 5.4674 PRESSURE: 1196800 204.422 24.907 -12.9449 24.9068 361.366 37.4422 -12.9435 37.4416 257.228 GPRESSURE: 1196800 264.954 -44.59 -61.0982 0.508556 395.339 62.0219 -103.632 30.7932 245.778 PRESSAVG: 1196800 64.5252 31.5416 -4.48057 31.5415 15.9368 -2.66435 -4.48055 -2.66436 -23.2006 GPRESSAVG: 1196800 63.791 32.0923 -4.63423 32.5435 16.4297 -2.9022 -4.71714 -4.31133 -22.5942 TIMING: 1196800 CPU: 3555.25, 0.00301443/step Wall: 3555.25, 0.00301443/step, 3.18458 hours remaining, 206.710938 MB of memory in use. ENERGY: 1196800 746.5819 2112.7408 1945.2591 124.8210 -206399.2430 18022.7927 0.0000 0.0000 34348.1794 -149098.8681 299.9712 -183447.0476 -149004.9027 300.5203 274.3390 302.0236 555861.8185 19.0871 19.2088 PRESSURE: 1197000 230.282 -35.4183 11.139 -35.419 -103.354 -51.609 11.1398 -51.6094 0.364771 GPRESSURE: 1197000 262.062 -51.6753 17.7847 10.4176 -88.6018 -0.867418 43.4287 -46.4119 47.4885 PRESSAVG: 1197000 47.4361 -3.74853 -27.3568 -3.74863 -25.0271 -12.0245 -27.3569 -12.0244 -22.4516 GPRESSAVG: 1197000 48.4452 -4.28276 -26.3827 -2.95722 -24.7145 -11.4976 -29.1134 -11.666 -23.3527 TIMING: 1197000 CPU: 3555.85, 0.00301361/step Wall: 3555.85, 0.00301361/step, 3.18355 hours remaining, 206.710938 MB of memory in use. ENERGY: 1197000 749.7100 2091.3833 1949.2219 113.1262 -206262.8324 17925.8723 0.0000 0.0000 34445.7670 -148987.7517 300.8235 -183433.5187 -148896.5051 299.1825 42.4311 73.6497 557393.8415 -0.0142 0.1260 PRESSURE: 1197200 197.197 174.486 -67.3734 174.487 -154.422 9.81592 -67.3735 9.81661 -207.025 GPRESSURE: 1197200 199.281 233.77 -71.4724 93.4239 -104.138 7.46635 -20.8278 56.2658 -159.898 PRESSAVG: 1197200 48.1916 -25.0383 6.36893 -25.0382 -51.4917 38.644 6.36898 38.6441 -23.864 GPRESSAVG: 1197200 47.2821 -23.5348 5.24725 -25.7623 -51.0858 38.1592 8.62224 39.7164 -23.8435 TIMING: 1197200 CPU: 3556.44, 0.00297366/step Wall: 3556.44, 0.00297366/step, 3.14118 hours remaining, 206.710938 MB of memory in use. ENERGY: 1197200 738.9336 2034.3779 1991.1475 109.2096 -206412.8931 17860.5373 0.0000 0.0000 34553.1959 -149125.4914 301.7617 -183678.6873 -149033.7850 299.5597 -54.7502 -21.5853 557068.1999 -9.0547 -9.2157 PRESSURE: 1197400 -192.831 0.949437 -154.849 0.948981 33.323 -51.7623 -154.85 -51.7627 -43.3552 GPRESSURE: 1197400 -116.068 -45.8552 -153.255 17.381 47.4953 -25.2535 -196.083 -90.952 -39.3183 PRESSAVG: 1197400 -31.0187 -2.70877 -18.9001 -2.70872 -29.4663 -0.252497 -18.9 -0.252482 36.0905 GPRESSAVG: 1197400 -30.5999 -3.51198 -18.4783 -4.53483 -29.4317 -0.286954 -19.6376 -1.3678 35.9591 TIMING: 1197400 CPU: 3557.04, 0.00298255/step Wall: 3557.04, 0.00298255/step, 3.1504 hours remaining, 206.710938 MB of memory in use. ENERGY: 1197400 706.3900 2101.1786 1945.2523 107.0633 -206210.1998 17678.6487 0.0000 0.0000 34434.1246 -149237.5424 300.7218 -183671.6670 -149137.8593 299.3688 -67.6212 -35.9638 557806.9021 -8.1315 -8.0241 PRESSURE: 1197600 -8.47831 -97.4212 160.724 -97.4219 107.921 -65.7848 160.725 -65.7849 -85.5214 GPRESSURE: 1197600 13.0108 -145.628 185.767 -36.827 133.229 -86.367 181.202 -89.7119 -24.4606 PRESSAVG: 1197600 9.68017 -54.8061 5.70867 -54.8062 -37.789 -26.6875 5.70863 -26.6875 -13.2069 GPRESSAVG: 1197600 9.31539 -54.6718 4.1133 -52.4439 -37.8199 -25.0264 5.31817 -27.4349 -12.5752 TIMING: 1197600 CPU: 3557.64, 0.00299419/step Wall: 3557.64, 0.00299419/step, 3.16253 hours remaining, 206.710938 MB of memory in use. ENERGY: 1197600 762.5561 2121.6613 1922.7738 116.5821 -206469.4920 18033.5412 0.0000 0.0000 34126.4804 -149385.8970 298.0350 -183512.3775 -149294.6868 299.2117 4.6404 40.5930 558267.1633 -13.7719 -13.6932 PRESSURE: 1197800 -221.972 48.0312 35.8138 48.0324 -212.377 13.3479 35.8141 13.347 -184.279 GPRESSURE: 1197800 -188.871 45.9541 -11.6305 90.1505 -233.091 36.0687 100.151 -6.89331 -108.879 PRESSAVG: 1197800 34.1503 -45.921 7.51834 -45.9209 5.12826 0.345776 7.51834 0.345772 19.5469 GPRESSAVG: 1197800 34.334 -45.1834 7.1954 -45.9068 5.09019 -0.189405 8.87051 1.31046 19.0091 TIMING: 1197800 CPU: 3558.24, 0.00298242/step Wall: 3558.24, 0.00298242/step, 3.14993 hours remaining, 206.710938 MB of memory in use. ENERGY: 1197800 747.1893 2126.5137 1917.0572 108.9469 -205979.6070 17491.7824 0.0000 0.0000 34218.2417 -149369.8758 298.8364 -183588.1175 -149280.9323 299.3276 -206.2096 -176.9471 558109.9163 19.6085 19.4777 PRESSURE: 1198000 -281.911 90.9761 110.438 90.9769 -281.89 -38.7053 110.439 -38.706 -281.695 GPRESSURE: 1198000 -226.236 109.508 167.293 189.016 -274.946 -133.744 185.433 97.5605 -252.253 PRESSAVG: 1198000 -14.8967 -41.0268 40.9811 -41.027 -28.9596 29.3497 40.981 29.3498 26.0847 GPRESSAVG: 1198000 -15.0916 -40.4278 42.5192 -42.7818 -29.1415 29.2438 40.0483 29.076 27.0374 TIMING: 1198000 CPU: 3558.83, 0.0029696/step Wall: 3558.83, 0.0029696/step, 3.13622 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: 1198000 774.5216 2086.9176 1914.8385 109.0190 -205943.1855 17340.7596 0.0000 0.0000 34150.9233 -149566.2060 298.2485 -183717.1293 -149465.6926 298.3781 -281.8321 -251.1451 555839.5991 -5.9239 -5.7319 PRESSURE: 1198200 498.504 48.9215 -44.7557 48.9212 15.598 153.895 -44.7551 153.894 -6.91483 GPRESSURE: 1198200 541.261 70.5243 -67.8708 -22.8453 -2.82771 155.529 -49.5087 180.262 69.0098 PRESSAVG: 1198200 90.9297 -40.5604 8.01673 -40.5603 -64.5909 -42.4165 8.0167 -42.4166 -0.135189 GPRESSAVG: 1198200 91.5942 -40.9577 9.861 -37.8464 -64.712 -43.0886 8.53104 -42.898 -0.151113 TIMING: 1198200 CPU: 3559.43, 0.00299414/step Wall: 3559.43, 0.00299414/step, 3.16198 hours remaining, 206.710938 MB of memory in use. ENERGY: 1198200 770.8057 2104.2605 1947.5000 109.4396 -206918.1072 18231.9347 0.0000 0.0000 34110.0003 -149644.1664 297.8911 -183754.1667 -149550.6487 298.5259 169.0623 202.4809 556238.3512 8.7345 8.9104 PRESSURE: 1198400 100.065 65.3361 89.2491 65.3373 -5.11473 33.9424 89.2487 33.9417 133.977 GPRESSURE: 1198400 104.835 103.115 67.5353 -11.2585 33.6722 33.2328 97.4395 -54.0256 182.498 PRESSAVG: 1198400 32.6588 37.8237 -2.75296 37.8237 -44.5514 40.4916 -2.75315 40.4917 39.1676 GPRESSAVG: 1198400 32.7644 37.582 -5.16623 35.0123 -44.1014 42.1325 -2.86392 40.2363 38.0021 TIMING: 1198400 CPU: 3560.03, 0.00298404/step Wall: 3560.03, 0.00298404/step, 3.15115 hours remaining, 206.710938 MB of memory in use. ENERGY: 1198400 727.5854 2069.3194 1923.4277 105.7460 -206616.9549 17880.2280 0.0000 0.0000 34306.3009 -149604.3474 299.6055 -183910.6483 -149509.2084 298.7469 76.3093 107.0015 556083.6215 9.0917 8.8884 PRESSURE: 1198600 -294.276 -16.6057 73.727 -16.6057 212.048 -25.6666 73.7269 -25.6651 -104.163 GPRESSURE: 1198600 -192.671 -34.2289 90.2535 98.6959 196.864 -10.1941 30.5368 -31.8279 -95.231 PRESSAVG: 1198600 46.3668 2.95368 -14.0245 2.95373 -32.4239 15.1235 -14.0245 15.1236 -54.0762 GPRESSAVG: 1198600 46.4385 3.28563 -12.5992 3.06678 -33.0591 14.5003 -14.8817 16.1651 -52.9903 TIMING: 1198600 CPU: 3560.63, 0.00300105/step Wall: 3560.63, 0.00300105/step, 3.16894 hours remaining, 206.710938 MB of memory in use. ENERGY: 1198600 766.4028 2083.9952 1936.3113 125.4903 -206486.9491 17869.0651 0.0000 0.0000 34036.0913 -149669.5931 297.2457 -183705.6845 -149578.9143 298.3911 -62.1302 -30.3460 555788.4052 -13.3778 -13.2036 PRESSURE: 1198800 248.397 -11.9393 -34.5784 -11.9397 142.095 -100.854 -34.5775 -100.853 3.88173 GPRESSURE: 1198800 278.54 -72.8858 -68.818 48.1433 231.52 -47.2439 -49.4669 -154.676 -15.4531 PRESSAVG: 1198800 76.2371 19.0389 44.5454 19.0389 -5.58848 50.7931 44.5454 50.7932 -56.7178 GPRESSAVG: 1198800 76.4046 17.6932 43.0635 20.0057 -4.44109 50.6607 46.1222 50.2337 -57.9567 TIMING: 1198800 CPU: 3561.23, 0.00302265/step Wall: 3561.23, 0.00302265/step, 3.19158 hours remaining, 206.710938 MB of memory in use. ENERGY: 1198800 766.6100 2098.3030 1919.3595 110.1694 -206804.3651 18223.1959 0.0000 0.0000 33949.5078 -149737.2194 296.4895 -183686.7272 -149643.9878 297.7876 131.4581 164.8690 555220.4289 4.6436 4.6689 PRESSURE: 1199000 -117.739 -79.0184 -32.4063 -79.018 -169.074 37.9932 -32.4062 37.992 -160.072 GPRESSURE: 1199000 -55.4696 -135.947 -54.3753 -117.122 -146.917 -50.1029 -86.103 61.5149 -140.511 PRESSAVG: 1199000 71.4874 -36.0394 -4.40492 -36.0394 -8.11632 0.230396 -4.40501 0.230365 -27.2636 GPRESSAVG: 1199000 71.411 -36.5216 -2.55911 -35.6338 -9.04033 1.34353 -5.56802 0.593697 -26.637 TIMING: 1199000 CPU: 3561.83, 0.00299431/step Wall: 3561.83, 0.00299431/step, 3.16149 hours remaining, 206.710938 MB of memory in use. ENERGY: 1199000 721.2558 2104.7434 1933.6562 104.3909 -206366.0343 17712.0831 0.0000 0.0000 34061.2508 -149728.6540 297.4654 -183789.9048 -149630.2054 297.2437 -148.9617 -114.2991 557545.1604 12.0358 11.9112 PRESSURE: 1199200 -77.5834 -22.7163 -23.624 -22.7164 119.65 84.6511 -23.6245 84.6514 28.5194 GPRESSURE: 1199200 -40.0623 -64.1412 -53.0989 18.1405 107.826 150.058 -13.3573 4.29881 106.226 PRESSAVG: 1199200 65.2865 -18.4997 -49.3689 -18.4997 -14.5986 -38.3939 -49.3689 -38.3937 -19.6494 GPRESSAVG: 1199200 64.4224 -17.5519 -50.4719 -18.5975 -14.7238 -41.2583 -48.4177 -37.3504 -18.8753 TIMING: 1199200 CPU: 3562.43, 0.00299292/step Wall: 3562.43, 0.00299292/step, 3.15986 hours remaining, 206.710938 MB of memory in use. ENERGY: 1199200 754.4191 2105.3636 1965.0531 112.6628 -207266.6137 18305.4666 0.0000 0.0000 34206.3179 -149817.3305 298.7323 -184023.6484 -149729.2850 297.7396 23.5288 57.9964 556436.0913 10.3462 10.2744 PRESSURE: 1199400 -92.0609 -122.651 61.113 -122.652 -46.7451 -148.551 61.1145 -148.55 -118.956 GPRESSURE: 1199400 -41.9865 -222.057 106.852 -21.7841 -77.1215 -161.108 23.8088 -139.853 -40.0569 PRESSAVG: 1199400 -15.6715 -54.4699 -48.09 -54.47 -44.2416 -9.11969 -48.09 -9.11978 39.1478 GPRESSAVG: 1199400 -14.2068 -54.5299 -46.3321 -57.5774 -45.6968 -6.60945 -49.5764 -8.8331 39.1782 TIMING: 1199400 CPU: 3563.03, 0.00300104/step Wall: 3563.03, 0.00300104/step, 3.16826 hours remaining, 206.710938 MB of memory in use. ENERGY: 1199400 716.8423 2099.6934 1957.5627 118.1068 -206599.3294 17796.6846 0.0000 0.0000 34124.6702 -149785.7694 298.0192 -183910.4396 -149688.3137 297.7800 -85.9205 -53.0550 557345.0249 -6.9217 -6.9085 PRESSURE: 1199600 79.3456 55.0343 -105.12 55.0347 138.996 36.8517 -105.119 36.8518 158.149 GPRESSURE: 1199600 79.4879 72.2745 -160.62 132.193 119.153 -17.5508 -42.5754 63.0138 261.75 PRESSAVG: 1199600 -38.4778 -0.550587 -40.6046 -0.550562 -8.09652 3.08663 -40.6047 3.08661 60.4096 GPRESSAVG: 1199600 -38.6422 -0.424424 -43.4204 1.70077 -8.1367 1.54621 -40.6407 3.73236 60.269 TIMING: 1199600 CPU: 3563.62, 0.00297841/step Wall: 3563.62, 0.00297841/step, 3.1442 hours remaining, 206.710938 MB of memory in use. ENERGY: 1199600 722.5287 2123.1900 1963.6683 113.6553 -206642.5318 18081.3231 0.0000 0.0000 34025.3444 -149612.8220 297.1518 -183638.1664 -149520.2755 298.1546 125.4970 153.4639 556740.7392 4.6118 4.4967 PRESSURE: 1199800 -197.292 -18.5662 -8.35557 -18.5667 -130.359 86.6967 -8.35667 86.6966 63.0739 GPRESSURE: 1199800 -116.498 -27.6417 17.5007 46.1716 -89.3388 7.87558 -6.44185 131.539 43.8614 PRESSAVG: 1199800 -19.3824 -71.2281 -55.0154 -71.2282 40.9261 -7.16025 -55.0156 -7.16027 -16.803 GPRESSAVG: 1199800 -20.0689 -73.2605 -52.1409 -71.7163 43.9339 -5.70873 -56.0498 -11.0614 -18.9076 TIMING: 1199800 CPU: 3564.22, 0.00298653/step Wall: 3564.22, 0.00298653/step, 3.15261 hours remaining, 206.710938 MB of memory in use. ENERGY: 1199800 743.7014 2102.2206 1901.3769 110.9490 -206034.1560 17554.2982 0.0000 0.0000 34210.8380 -149410.7719 298.7718 -183621.6099 -149304.4090 298.3622 -88.1924 -53.9917 558318.6132 1.5802 1.6525 PRESSURE: 1200000 -111.573 44.6323 -48.8196 44.6323 75.3429 62.6475 -48.8213 62.6487 -17.7744 GPRESSURE: 1200000 -51.9492 0.934306 -64.0804 56.6474 109.431 118.708 -74.4668 -3.65188 -9.69088 PRESSAVG: 1200000 26.8416 12.7679 10.3342 12.768 -26.8572 11.8682 10.3341 11.8681 -21.5298 GPRESSAVG: 1200000 27.7586 17.5632 9.21956 11.6932 -29.1716 12.3662 12.8409 11.0818 -20.0495 TIMING: 1200000 CPU: 3564.82, 0.00299112/step Wall: 3564.82, 0.00299112/step, 3.15729 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: 1200000 765.9334 2104.5076 1947.2095 110.1056 -206668.0742 17985.4217 0.0000 0.0000 34492.0450 -149262.8515 301.2276 -183754.8965 -149165.6557 298.8502 -18.0015 15.9303 557215.3391 -7.1818 -7.1542 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1200000 WRITING COORDINATES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1200200 -76.4459 223.336 -82.1032 223.337 127.196 53.6704 -82.1032 53.6711 -169.887 GPRESSURE: 1200200 -19.9062 252.657 -63.2172 200.64 119.468 -103.262 -63.3362 66.6011 -108.014 PRESSAVG: 1200200 41.6027 -47.0495 -10.9535 -47.0495 63.1422 -21.2689 -10.9535 -21.2687 -54.3436 GPRESSAVG: 1200200 40.8675 -50.0763 -11.2654 -46.3159 64.6562 -23.6958 -10.7972 -18.297 -54.7363 TIMING: 1200200 CPU: 3565.44, 0.00307924/step Wall: 3565.44, 0.00307924/step, 3.25014 hours remaining, 206.710938 MB of memory in use. ENERGY: 1200200 737.2148 2095.0146 1950.5991 123.5693 -206285.7804 17753.6396 0.0000 0.0000 34229.2356 -149396.5074 298.9324 -183625.7430 -149309.0419 299.4076 -39.7123 -2.8171 556842.2953 16.8004 16.9291 LDB: ============= START OF LOAD BALANCING ============== 3568.86 LDB: ============== END OF LOAD BALANCING =============== 3568.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3568.86 LDB: ============= START OF LOAD BALANCING ============== 3569.16 LDB: Largest compute 4821 load 0.033439 is 28.4% of average load 0.117932 LDB: Average compute 0.001708 is 1.4% of average load 0.117932 LDB: TIME 3569.17 LOAD: AVG 0.117932 MAX 0.198007 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 3569.17 LOAD: AVG 0.117932 MAX 0.198007 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.426 MB LDB: TIME 3569.17 LOAD: AVG 0.117932 MAX 0.198007 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3569.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3569.17 PRESSURE: 1200400 10.3913 -138.924 171.182 -138.922 163.607 15.2881 171.18 15.2883 -38.2802 GPRESSURE: 1200400 123.402 -127.432 164.779 -161.32 133.945 108.806 156.307 -30.6499 -29.2553 PRESSAVG: 1200400 45.0534 -33.8109 3.93969 -33.8109 61.8007 -36.3227 3.93965 -36.3227 -82.9338 GPRESSAVG: 1200400 44.8521 -35.0475 4.5916 -32.0917 61.6055 -33.946 2.27913 -37.0156 -82.1551 TIMING: 1200400 CPU: 3566.04, 0.00303909/step Wall: 3566.04, 0.00303909/step, 3.20759 hours remaining, 206.062500 MB of memory in use. ENERGY: 1200400 737.9573 2032.2673 1939.0015 111.2321 -206606.9147 17815.9779 0.0000 0.0000 34559.0412 -149411.4374 301.8127 -183970.4786 -149309.0657 299.4430 45.2392 76.0307 556419.6612 7.9734 8.1008 PRESSURE: 1200600 219.972 57.784 209.567 57.7844 95.4845 -10.1868 209.569 -10.1856 103.189 GPRESSURE: 1200600 219.563 54.0714 177.056 112.933 82.9835 -143.39 246.605 121.164 209.285 PRESSAVG: 1200600 -18.3912 5.57381 19.8528 5.57372 74.2161 -53.7896 19.8527 -53.7896 -57.3422 GPRESSAVG: 1200600 -19.124 5.77428 18.6572 5.95688 74.2879 -53.7989 21.0651 -52.5879 -57.0985 TIMING: 1200600 CPU: 3566.64, 0.00298746/step Wall: 3566.64, 0.00298746/step, 3.15293 hours remaining, 206.062500 MB of memory in use. ENERGY: 1200600 765.3390 2110.2379 1947.3604 112.7767 -206400.8889 18036.9094 0.0000 0.0000 34328.4004 -149099.8651 299.7985 -183428.2654 -149008.1496 299.5041 139.5486 170.6103 556780.0035 -0.5058 -0.6449 PRESSURE: 1200800 -52.5283 -19.0285 -199.677 -19.0288 213.66 60.0522 -199.676 60.0507 -186.028 GPRESSURE: 1200800 2.9795 0.781795 -144.636 -36.8319 237.357 31.3734 -215.333 48.8771 -165.917 PRESSAVG: 1200800 26.0692 -29.7323 0.426977 -29.7322 9.33757 -14.8377 0.427009 -14.8378 -45.2547 GPRESSAVG: 1200800 25.6852 -29.1201 1.23665 -28.9565 9.41835 -16.3757 0.602923 -14.8229 -45.1867 TIMING: 1200800 CPU: 3567.24, 0.00298221/step Wall: 3567.24, 0.00298221/step, 3.14723 hours remaining, 206.062500 MB of memory in use. ENERGY: 1200800 729.9952 2099.9123 1937.5352 101.4191 -206157.1110 17847.4694 0.0000 0.0000 34139.0698 -149301.7100 298.1450 -183440.7798 -149204.6446 299.8610 -8.2987 24.8066 557389.3495 -3.2826 -3.3611 PRESSURE: 1201000 -134.495 74.1097 -24.1456 74.1096 106.282 10.2513 -24.1455 10.2492 -136.276 GPRESSURE: 1201000 -125.345 56.8922 -46.0853 93.217 120.451 74.5132 -68.1084 8.23038 -71.7767 PRESSAVG: 1201000 -12.1775 22.0206 -38.176 22.0205 2.10369 -23.0081 -38.1759 -23.0081 -13.0076 GPRESSAVG: 1201000 -10.6247 21.1795 -38.6428 20.7257 2.45904 -21.3599 -39.3424 -22.6387 -14.1671 TIMING: 1201000 CPU: 3567.84, 0.00299119/step Wall: 3567.84, 0.00299119/step, 3.15653 hours remaining, 206.062500 MB of memory in use. ENERGY: 1201000 777.8145 2101.9358 1925.2299 113.0399 -206468.8613 17910.3466 0.0000 0.0000 34200.4775 -149440.0171 298.6813 -183640.4946 -149346.1946 298.3617 -54.8299 -25.5567 557579.0227 -7.6938 -7.4442 PRESSURE: 1201200 -54.2767 -16.1551 -41.816 -16.1544 -43.6354 37.6985 -41.8152 37.6977 18.7191 GPRESSURE: 1201200 -15.2816 -32.2453 -35.8804 -51.2585 5.44736 98.6525 -95.2506 18.6441 20.7725 PRESSAVG: 1201200 -14.4042 13.395 -6.01023 13.395 17.3506 9.08476 -6.01015 9.08478 23.1352 GPRESSAVG: 1201200 -14.1956 13.4939 -5.85305 11.8282 16.4064 9.17318 -7.95101 8.91715 24.17 TIMING: 1201200 CPU: 3568.44, 0.00302565/step Wall: 3568.44, 0.00302565/step, 3.19273 hours remaining, 206.062500 MB of memory in use. ENERGY: 1201200 713.0285 2081.2448 1945.9797 118.1049 -206660.2164 17997.5734 0.0000 0.0000 34386.2514 -149418.0337 300.3037 -183804.2851 -149323.0620 298.7571 -26.3977 3.6461 557902.9806 8.6939 8.7936 PRESSURE: 1201400 120.796 -184.317 -110.573 -184.316 202.626 -43.431 -110.572 -43.432 15.9377 GPRESSURE: 1201400 223.745 -186.634 -33.4331 -149.508 172.059 -12.3943 -35.3892 -79.698 42.5856 PRESSAVG: 1201400 9.22511 -13.2852 -7.49749 -13.2851 57.4277 -8.66112 -7.49766 -8.66111 -39.5712 GPRESSAVG: 1201400 8.8356 -11.2497 -6.47098 -11.7831 56.8432 -9.95081 -4.90218 -9.61641 -39.0675 TIMING: 1201400 CPU: 3569.04, 0.00298671/step Wall: 3569.04, 0.00298671/step, 3.15148 hours remaining, 206.062500 MB of memory in use. ENERGY: 1201400 754.1863 2105.7177 1917.1305 122.5339 -206507.7660 18175.2640 0.0000 0.0000 34010.0314 -149422.9022 297.0181 -183432.9336 -149317.3681 298.3701 113.1199 146.1301 556517.6568 9.0272 8.8704 PRESSURE: 1201600 84.1287 -118.367 -194.808 -118.368 -180.321 -6.58177 -194.807 -6.58066 -61.3239 GPRESSURE: 1201600 166.122 -197.315 -194.803 -74.4345 -170.73 0.639324 -141.927 -9.34557 -68.2078 PRESSAVG: 1201600 21.5412 -26.0904 -0.773121 -26.0904 -36.4967 -31.6216 -0.773262 -31.6217 -46.2762 GPRESSAVG: 1201600 21.3961 -26.9584 -2.57542 -28.1295 -35.5427 -29.7513 -0.290498 -32.5384 -46.8473 TIMING: 1201600 CPU: 3569.64, 0.00300443/step Wall: 3569.64, 0.00300443/step, 3.17001 hours remaining, 206.062500 MB of memory in use. ENERGY: 1201600 722.1391 2052.5138 1958.1450 120.0754 -206132.7665 17705.3742 0.0000 0.0000 34093.2319 -149481.2872 297.7447 -183574.5191 -149392.9420 298.4155 -52.5053 -24.2720 558556.9508 -20.4105 -20.3313 PRESSURE: 1201800 172.956 -70.6145 44.0217 -70.6139 -142.873 37.8215 44.0231 37.8217 120.047 GPRESSURE: 1201800 196.046 -52.0623 31.8147 -84.9519 -130.638 85.414 -30.7503 16.6038 187.588 PRESSAVG: 1201800 81.4681 -56.826 18.2811 -56.826 -33.7911 -59.1284 18.2813 -59.1285 -30.615 GPRESSAVG: 1201800 82.7395 -56.039 19.2842 -55.8186 -33.9498 -61.8348 16.9157 -57.6732 -31.4332 TIMING: 1201800 CPU: 3570.24, 0.00299337/step Wall: 3570.24, 0.00299337/step, 3.15817 hours remaining, 206.062500 MB of memory in use. ENERGY: 1201800 720.1942 2090.6683 1947.9258 112.6253 -206262.8237 17839.8494 0.0000 0.0000 34139.4949 -149412.0658 298.1487 -183551.5607 -149307.4059 298.3032 50.0431 84.3321 558106.6018 5.6874 5.7855 PRESSURE: 1202000 -183.683 84.0927 38.9862 84.0922 47.0142 -99.6705 38.9858 -99.6707 44.5067 GPRESSURE: 1202000 -105.095 24.4309 4.70167 70.997 84.0238 -8.79276 47.0202 -82.1589 17.7018 PRESSAVG: 1202000 -58.3651 38.1838 9.90614 38.1839 28.7208 29.9632 9.90624 29.9632 36.5723 GPRESSAVG: 1202000 -58.2952 36.6994 10.057 36.7922 28.6572 32.6466 11.1565 29.3188 36.5423 TIMING: 1202000 CPU: 3570.84, 0.0030059/step Wall: 3570.84, 0.0030059/step, 3.17123 hours remaining, 206.062500 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: 1202000 773.3777 2084.1100 1937.2650 130.4323 -206410.9153 17928.4878 0.0000 0.0000 34112.6439 -149444.5987 297.9142 -183557.2426 -149350.4942 298.7334 -30.7208 -1.1230 559102.8990 2.3093 2.3014 PRESSURE: 1202200 -0.420218 24.9002 25.0195 24.8999 -128.139 68.9871 25.0178 68.9869 109.039 GPRESSURE: 1202200 3.37864 -36.2136 -29.8076 31.6561 -56.3302 66.4312 43.9952 99.9859 141.983 PRESSAVG: 1202200 -33.2474 61.0041 -41.7796 61.0041 32.2426 21.6135 -41.7796 21.6135 34.9686 GPRESSAVG: 1202200 -34.7146 61.3196 -43.1677 61.7517 32.341 21.0929 -43.4302 22.2733 36.6025 TIMING: 1202200 CPU: 3571.43, 0.00296605/step Wall: 3571.43, 0.00296605/step, 3.12901 hours remaining, 206.062500 MB of memory in use. ENERGY: 1202200 720.7759 2106.8344 1951.6414 115.7329 -206457.0059 18019.5579 0.0000 0.0000 34240.8477 -149301.6157 299.0338 -183542.4634 -149198.9029 298.4491 -6.5065 29.6771 559993.1406 11.3213 11.4096 PRESSURE: 1202400 -272.934 249.002 146.526 249.003 -62.7033 -71.1373 146.527 -71.1364 77.5077 GPRESSURE: 1202400 -211.898 303.806 73.4213 204.68 -25.7902 -82.4465 181.267 22.9733 72.564 PRESSAVG: 1202400 -33.9319 -3.15905 14.6889 -3.15905 8.07407 7.76925 14.6889 7.76926 22.3439 GPRESSAVG: 1202400 -33.3113 -2.94304 15.7998 -2.40981 7.80606 5.95029 15.082 7.26912 21.4586 TIMING: 1202400 CPU: 3572.03, 0.00298041/step Wall: 3572.03, 0.00298041/step, 3.144 hours remaining, 206.062500 MB of memory in use. ENERGY: 1202400 740.7484 2113.8337 1922.2124 113.4431 -206256.5550 17815.1884 0.0000 0.0000 34266.4701 -149284.6588 299.2576 -183551.1288 -149187.3563 298.9951 -86.0432 -55.0415 559055.1443 -1.1713 -1.3489 PRESSURE: 1202600 -699.804 -272.89 81.7618 -272.89 -138.355 31.5021 81.7624 31.5022 -17.8314 GPRESSURE: 1202600 -657.209 -273.821 87.952 -267.84 -128.887 -3.56929 118.491 44.8902 16.1577 PRESSAVG: 1202600 -11.8156 -38.1673 15.7384 -38.1674 -31.004 -18.3789 15.7383 -18.3788 56.9069 GPRESSAVG: 1202600 -11.6685 -39.0327 14.6023 -38.8719 -31.5549 -16.8776 15.9675 -19.0206 57.2393 TIMING: 1202600 CPU: 3572.62, 0.00297533/step Wall: 3572.62, 0.00297533/step, 3.13847 hours remaining, 206.062500 MB of memory in use. ENERGY: 1202600 759.4549 2065.1813 1928.0748 123.4226 -206015.7369 17599.1822 0.0000 0.0000 34220.0381 -149320.3831 298.8521 -183540.4212 -149216.1188 298.6669 -285.3303 -256.6458 558026.2011 4.6958 4.6720 PRESSURE: 1202800 65.5799 -253.307 43.3889 -253.307 171.699 -51.2776 43.3886 -51.2771 171.505 GPRESSURE: 1202800 79.9634 -313.506 126.289 -240.479 223.482 -89.9058 13.5255 -64.7414 217.792 PRESSAVG: 1202800 -10.614 -46.2845 -17.5381 -46.2845 14.6441 4.14921 -17.5381 4.14928 -9.25226 GPRESSAVG: 1202800 -11.0337 -45.5645 -16.2004 -44.1465 14.3861 4.24942 -16.9824 4.90607 -8.48536 TIMING: 1202800 CPU: 3573.23, 0.00301168/step Wall: 3573.23, 0.00301168/step, 3.17665 hours remaining, 206.062500 MB of memory in use. ENERGY: 1202800 736.4102 2142.5980 1913.0076 109.9427 -206303.1269 18027.8726 0.0000 0.0000 34177.6343 -149195.6615 298.4818 -183373.2958 -149103.1360 299.2682 136.2613 173.7458 557033.2191 -1.7407 -1.7110 PRESSURE: 1203000 102.645 -23.6492 -95.4573 -23.6482 -60.2342 -219.231 -95.458 -219.231 -13.7851 GPRESSURE: 1203000 118.143 -40.1729 -180.585 100.47 3.6511 -191.342 -31.7526 -268.317 12.4871 PRESSAVG: 1203000 57.7309 -40.1131 -37.0627 -40.1131 -39.466 -63.4738 -37.0628 -63.4737 -34.0359 GPRESSAVG: 1203000 58.4422 -39.3548 -39.4231 -42.0573 -38.7446 -65.326 -37.3906 -64.0604 -35.6113 TIMING: 1203000 CPU: 3573.83, 0.00300936/step Wall: 3573.83, 0.00300936/step, 3.17404 hours remaining, 206.062500 MB of memory in use. ENERGY: 1203000 732.3348 2065.5029 1928.3010 122.3328 -206462.0142 17951.5498 0.0000 0.0000 34483.6081 -149178.3849 301.1539 -183661.9929 -149077.7068 299.7256 9.5419 44.7604 557504.9384 -5.2570 -5.3046 PRESSURE: 1203200 175.928 19.6667 -99.7318 19.6679 -154.443 166.862 -99.7314 166.862 -19.3418 GPRESSURE: 1203200 218.21 -54.8475 -136.246 -22.8338 -175.302 153.235 -100.525 188.953 46.4471 PRESSAVG: 1203200 40.176 29.8569 32.209 29.8569 -45.2924 5.40811 32.2088 5.40805 -21.4641 GPRESSAVG: 1203200 40.0972 28.0232 34.2792 30.2086 -46.6056 7.54521 32.024 5.37765 -20.6886 TIMING: 1203200 CPU: 3574.43, 0.00300733/step Wall: 3574.43, 0.00300733/step, 3.17173 hours remaining, 206.062500 MB of memory in use. ENERGY: 1203200 755.3601 2120.6820 1927.2020 113.6154 -206078.8378 17779.1143 0.0000 0.0000 34255.9294 -149126.9347 299.1656 -183382.8641 -149029.9705 299.4139 0.7145 29.7849 557431.0867 -8.8602 -9.0657 PRESSURE: 1203400 27.8476 -65.4799 58.5242 -65.4818 49.0445 88.7986 58.5234 88.797 -70.4459 GPRESSURE: 1203400 40.6458 -62.5446 47.4689 11.7641 60.683 40.1453 20.4596 117.632 20.461 PRESSAVG: 1203400 54.8414 18.5737 15.8107 18.5737 -62.3268 13.1562 15.8106 13.1561 -15.9597 GPRESSAVG: 1203400 54.4228 19.0269 16.3143 18.7261 -62.078 10.7439 14.0736 12.983 -15.5453 TIMING: 1203400 CPU: 3575.03, 0.00300202/step Wall: 3575.03, 0.00300202/step, 3.16596 hours remaining, 206.062500 MB of memory in use. ENERGY: 1203400 749.6438 2079.4381 1949.7290 128.6462 -206094.2168 17732.3661 0.0000 0.0000 34191.2880 -149263.1056 298.6010 -183454.3935 -149167.7094 299.2384 2.1488 40.5966 558630.0520 -7.8150 -7.7335 PRESSURE: 1203600 -145.926 -47.0595 212.613 -47.0597 -180.365 102.356 212.613 102.356 -124.415 GPRESSURE: 1203600 -127.579 24.5028 279.031 -48.4961 -157.175 161.015 148.266 101.415 -76.868 PRESSAVG: 1203600 32.0597 4.02329 29.0498 4.02335 -2.89778 -23.3354 29.0497 -23.3354 -31.4588 GPRESSAVG: 1203600 32.1173 5.46794 27.2155 5.65302 -2.15718 -22.4614 30.8136 -22.9038 -32.1323 TIMING: 1203600 CPU: 3575.63, 0.0030014/step Wall: 3575.63, 0.0030014/step, 3.16514 hours remaining, 206.062500 MB of memory in use. ENERGY: 1203600 740.8021 2092.1342 1935.8117 101.8080 -205881.2077 17583.3412 0.0000 0.0000 34241.7389 -149185.5717 299.0416 -183427.3105 -149096.8255 299.1961 -150.2353 -120.5407 558643.7538 -0.7656 -0.7241 PRESSURE: 1203800 -27.206 -101.329 157.59 -101.33 103.972 102.28 157.589 102.28 140.882 GPRESSURE: 1203800 38.0352 -131.452 158.864 -87.1878 121.476 154.226 125.456 90.3169 160.263 PRESSAVG: 1203800 27.0824 -2.49893 74.6485 -2.49901 21.4603 -14.3302 74.6484 -14.3302 12.0041 GPRESSAVG: 1203800 26.7839 -1.00992 76.5827 -6.72433 21.7554 -16.4088 75.0882 -15.2365 11.5684 TIMING: 1203800 CPU: 3576.23, 0.00298868/step Wall: 3576.23, 0.00298868/step, 3.15156 hours remaining, 206.062500 MB of memory in use. ENERGY: 1203800 712.1224 2109.0935 1918.9699 121.0353 -206180.1603 17986.1565 0.0000 0.0000 34190.7794 -149142.0034 298.5966 -183332.7828 -149053.3511 299.6810 72.5492 106.5913 558583.1036 20.1823 20.0359 PRESSURE: 1204000 -35.0262 -6.10647 82.6884 -6.10497 -76.0412 -138.641 82.6896 -138.641 130.58 GPRESSURE: 1204000 22.6522 69.2027 193.292 7.63333 -64.3169 -152.528 129.483 -277.759 156.282 PRESSAVG: 1204000 67.6258 53.6863 82.2636 53.6863 -28.2202 26.2494 82.2636 26.2495 -37.023 GPRESSAVG: 1204000 68.0093 51.2903 81.4977 54.6215 -28.2578 29.1357 80.963 26.9301 -36.5963 TIMING: 1204000 CPU: 3576.83, 0.00300655/step Wall: 3576.83, 0.00300655/step, 3.17024 hours remaining, 206.062500 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: 1204000 693.3061 2101.8488 1937.5168 111.1496 -206016.7574 17793.4567 0.0000 0.0000 34144.4548 -149235.0247 298.1920 -183379.4795 -149139.0632 299.0444 6.5042 38.2059 558739.8843 0.7942 1.0517 PRESSURE: 1204200 133.068 114.857 -93.2851 114.857 -62.0268 38.5275 -93.2861 38.5266 -142.579 GPRESSURE: 1204200 104.875 136.082 -125.365 107.038 -19.4753 38.7745 15.7787 58.3153 -67.2811 PRESSAVG: 1204200 17.5794 33.7561 75.3735 33.7561 63.3741 -25.654 75.3737 -25.654 -48.8486 GPRESSAVG: 1204200 17.8892 35.1217 73.5257 34.8728 63.7625 -26.4518 76.511 -24.7389 -49.3659 TIMING: 1204200 CPU: 3577.43, 0.00298487/step Wall: 3577.43, 0.00298487/step, 3.14722 hours remaining, 206.062500 MB of memory in use. ENERGY: 1204200 754.9283 2041.5267 1946.3945 106.0752 -206383.8192 17999.0447 0.0000 0.0000 34216.9724 -149318.8773 298.8253 -183535.8497 -149216.4177 298.8878 -23.8461 6.0397 557341.7843 10.7016 10.7619 LDB: ============= START OF LOAD BALANCING ============== 3580.85 LDB: ============== END OF LOAD BALANCING =============== 3580.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3580.86 LDB: ============= START OF LOAD BALANCING ============== 3581.16 LDB: Largest compute 4821 load 0.033491 is 28.4% of average load 0.117933 LDB: Average compute 0.001713 is 1.5% of average load 0.117933 LDB: TIME 3581.16 LOAD: AVG 0.117933 MAX 0.199022 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 3581.16 LOAD: AVG 0.117933 MAX 0.199022 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: TIME 3581.16 LOAD: AVG 0.117933 MAX 0.199022 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: ============== END OF LOAD BALANCING =============== 3581.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3581.17 PRESSURE: 1204400 129.762 -2.91832 73.6384 -2.91856 -184.881 67.9174 73.6392 67.9173 -87.0734 GPRESSURE: 1204400 118.744 -42.3295 -0.803974 39.8608 -131.998 0.322436 100.736 56.9676 -20.4612 PRESSAVG: 1204400 50.874 17.5491 47.3552 17.5491 -17.2119 37.8113 47.3552 37.8113 -74.636 GPRESSAVG: 1204400 49.7781 15.124 47.2849 19.4461 -16.73 38.4096 47.3124 37.8039 -73.8767 TIMING: 1204400 CPU: 3578.04, 0.00305008/step Wall: 3578.04, 0.00305008/step, 3.2158 hours remaining, 205.226562 MB of memory in use. ENERGY: 1204400 732.7728 2035.5960 1908.1458 107.0846 -206133.2218 17816.8202 0.0000 0.0000 34227.0159 -149305.7865 298.9130 -183532.8025 -149216.2447 298.6254 -47.3974 -11.2384 558020.1358 -13.6580 -13.6095 PRESSURE: 1204600 128.496 -72.9739 130.508 -72.9743 10.1283 14.6663 130.507 14.6652 -170.079 GPRESSURE: 1204600 188.503 -96.3909 244.362 -24.197 22.0377 -12.9427 56.1946 96.1486 -149.48 PRESSAVG: 1204600 -4.44867 -6.14683 15.3772 -6.14686 17.7394 -4.51485 15.3772 -4.51496 -55.6032 GPRESSAVG: 1204600 -5.00457 -3.1983 14.078 -8.22283 17.8748 -5.44685 15.4432 -4.53513 -55.1501 TIMING: 1204600 CPU: 3578.63, 0.00298637/step Wall: 3578.63, 0.00298637/step, 3.14846 hours remaining, 205.226562 MB of memory in use. ENERGY: 1204600 735.2233 2040.4414 1945.8866 102.9833 -206198.8041 17815.9553 0.0000 0.0000 34276.1089 -149282.2053 299.3418 -183558.3142 -149192.0911 298.6358 -10.4849 20.3534 558589.3682 -14.1041 -14.0933 PRESSURE: 1204800 80.5284 17.4977 -115.731 17.497 69.1978 -14.6253 -115.731 -14.6259 -89.7307 GPRESSURE: 1204800 125.78 42.561 -172.08 -15.8112 51.3119 -10.8633 -110.012 -65.7561 -12.7845 PRESSAVG: 1204800 -3.46292 -1.50744 18.29 -1.50747 10.3026 -46.2513 18.29 -46.2513 -18.5507 GPRESSAVG: 1204800 -2.48295 -3.78084 21.9207 -1.56312 9.66856 -45.0785 17.2852 -46.3254 -18.525 TIMING: 1204800 CPU: 3579.23, 0.00298125/step Wall: 3579.23, 0.00298125/step, 3.1429 hours remaining, 205.226562 MB of memory in use. ENERGY: 1204800 722.3981 2057.5307 1926.9175 112.2142 -206335.9671 17999.8230 0.0000 0.0000 34277.5692 -149239.5142 299.3545 -183517.0835 -149148.0915 298.7884 19.9985 54.7692 556600.6680 -3.9037 -3.7798 PRESSURE: 1205000 -236.739 43.449 70.8785 43.4486 87.1139 21.8542 70.8797 21.8541 159.597 GPRESSURE: 1205000 -174.181 100.467 27.0919 48.741 80.3308 19.917 91.4384 41.5657 200.585 PRESSAVG: 1205000 -36.5435 7.09997 7.1563 7.09988 26.8261 -27.0178 7.15627 -27.0178 10.4993 GPRESSAVG: 1205000 -36.2073 9.01067 8.26567 5.08293 26.8288 -27.5644 5.88027 -28.0894 10.1161 TIMING: 1205000 CPU: 3579.83, 0.00299172/step Wall: 3579.83, 0.00299172/step, 3.15377 hours remaining, 205.226562 MB of memory in use. ENERGY: 1205000 723.6119 2074.5725 1944.1058 114.9430 -206197.9412 17774.9225 0.0000 0.0000 34176.2902 -149389.4952 298.4700 -183565.7853 -149291.8935 298.3861 3.3239 35.5783 557475.0705 0.2606 0.2459 PRESSURE: 1205200 -285.946 -83.19 -16.691 -83.1913 -174.722 75.7636 -16.6909 75.7633 -84.7378 GPRESSURE: 1205200 -237.736 -89.3034 98.8734 -77.5506 -147.433 -3.82803 -103.139 141.157 -74.962 PRESSAVG: 1205200 0.378665 1.85268 68.6369 1.85269 45.8576 82.3657 68.6369 82.3657 -52.1366 GPRESSAVG: 1205200 -0.26207 -0.0554283 65.2906 1.65298 46.6482 80.453 68.7984 83.3243 -53.0999 TIMING: 1205200 CPU: 3580.43, 0.00300755/step Wall: 3580.43, 0.00300755/step, 3.17029 hours remaining, 205.226562 MB of memory in use. ENERGY: 1205200 751.1881 2088.1498 1942.3630 109.1604 -206123.3770 17648.5878 0.0000 0.0000 34318.6453 -149265.2825 299.7133 -183583.9278 -149166.9269 298.8881 -181.8021 -153.3769 557923.2408 -1.9668 -2.2379 PRESSURE: 1205400 117.522 -73.1517 -80.1709 -73.153 -40.7457 -94.9047 -80.1711 -94.9059 -35.2972 GPRESSURE: 1205400 103.945 -33.4327 -115.044 -78.3309 -25.2829 -114.888 5.27029 53.479 60.1867 PRESSAVG: 1205400 -33.6534 -36.7706 26.7322 -36.7705 -4.41391 -17.2677 26.7322 -17.2678 14.8423 GPRESSAVG: 1205400 -33.5346 -34.9424 27.0059 -33.743 -4.35219 -17.3132 26.8757 -15.9013 15.0366 TIMING: 1205400 CPU: 3581.03, 0.00302217/step Wall: 3581.03, 0.00302217/step, 3.18553 hours remaining, 205.226562 MB of memory in use. ENERGY: 1205400 765.1647 2070.0029 1932.4995 105.0882 -206228.6141 17877.7495 0.0000 0.0000 34144.4375 -149333.6718 298.1919 -183478.1093 -149243.6416 298.5529 13.8265 46.2828 557087.2114 -7.7417 -7.6167 PRESSURE: 1205600 -72.0092 112.361 26.8461 112.36 -70.213 120.455 26.8449 120.453 -403.628 GPRESSURE: 1205600 -20.2087 147.122 -22.6346 55.1629 -75.7041 153.385 90.1683 34.414 -352.901 PRESSAVG: 1205600 13.8143 -24.3624 20.0734 -24.3625 5.34249 -45.4873 20.0734 -45.4873 -11.6819 GPRESSAVG: 1205600 13.3899 -23.6503 18.7705 -27.7685 4.11394 -45.2154 19.1044 -46.9184 -10.5013 TIMING: 1205600 CPU: 3581.63, 0.00299625/step Wall: 3581.63, 0.00299625/step, 3.15805 hours remaining, 205.226562 MB of memory in use. ENERGY: 1205600 763.6773 2067.1816 1961.9659 114.8822 -205790.2050 17455.0360 0.0000 0.0000 34272.1529 -149155.3091 299.3072 -183427.4620 -149064.8706 299.6840 -181.9502 -149.6044 557034.8000 2.4917 2.3342 PRESSURE: 1205800 -28.2596 -77.1061 -29.2015 -77.1075 -64.2625 -21.7161 -29.2011 -21.7157 -59.0922 GPRESSURE: 1205800 -45.633 -210.276 -44.6894 0.566055 -47.5419 -90.982 -79.7969 -75.9829 45.0959 PRESSAVG: 1205800 -35.2094 -0.611334 -7.07795 -0.611303 11.0457 -36.3255 -7.07801 -36.3256 -13.2134 GPRESSAVG: 1205800 -34.2474 -3.33079 -5.28901 1.68404 10.3424 -35.9727 -5.86942 -36.8356 -13.158 TIMING: 1205800 CPU: 3582.23, 0.0030069/step Wall: 3582.23, 0.0030069/step, 3.16911 hours remaining, 205.226562 MB of memory in use. ENERGY: 1205800 785.1965 2120.1652 1930.2425 118.5807 -205806.1074 17597.6433 0.0000 0.0000 34140.5790 -149113.7002 298.1582 -183254.2791 -149020.0904 299.3354 -50.5381 -16.0263 557441.9360 -12.4590 -12.3543 PRESSURE: 1206000 -218.103 -12.8676 26.5078 -12.8692 101.142 69.6976 26.5074 69.6973 17.1651 GPRESSURE: 1206000 -155.127 -25.4084 9.11238 54.1018 112.731 129.424 13.2391 89.534 21.6421 PRESSAVG: 1206000 -2.65899 44.3102 4.5537 44.3102 -0.963129 23.7034 4.55368 23.7034 1.91187 GPRESSAVG: 1206000 -2.22934 44.3542 4.82676 45.6717 -0.130688 23.846 4.53191 23.7583 0.385048 TIMING: 1206000 CPU: 3582.83, 0.00299728/step Wall: 3582.83, 0.00299728/step, 3.1588 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: 1206000 739.1951 2072.7675 1958.9950 105.2991 -206231.2280 17827.7722 0.0000 0.0000 34268.6522 -149258.5469 299.2767 -183527.1991 -149158.1571 299.1400 -33.2653 -6.9181 556827.0428 -0.5701 -0.6583 PRESSURE: 1206200 107.739 64.0762 25.1144 64.0763 247.784 41.1707 25.1138 41.1678 279.891 GPRESSURE: 1206200 115.801 5.89342 53.5522 -14.0803 285.737 78.1121 30.6847 5.67783 335.647 PRESSAVG: 1206200 -28.0732 -4.62837 14.4626 -4.62853 -8.31458 -4.05884 14.4626 -4.05886 27.1657 GPRESSAVG: 1206200 -29.2971 -4.03835 13.3654 -6.48855 -8.38731 -1.75478 15.5565 -3.52541 28.7433 TIMING: 1206200 CPU: 3583.43, 0.00300159/step Wall: 3583.43, 0.00300159/step, 3.16318 hours remaining, 205.226562 MB of memory in use. ENERGY: 1206200 705.6057 2132.5145 1960.6046 118.8507 -206498.6325 18110.0362 0.0000 0.0000 34263.5766 -149207.4442 299.2323 -183471.0208 -149115.9409 299.8100 211.8045 245.7283 556646.5851 -3.0740 -2.9804 PRESSURE: 1206400 -116.938 -50.1802 -21.7736 -50.1797 7.10015 18.5249 -21.7739 18.5259 -199.178 GPRESSURE: 1206400 -80.57 -45.7194 -112.972 49.4708 -21.681 -118.201 -10.975 135.143 -123.537 PRESSAVG: 1206400 20.2086 -6.30693 -50.9469 -6.30699 32.9034 45.3326 -50.9468 45.3327 21.512 GPRESSAVG: 1206400 21.4854 -6.80643 -52.0153 -5.72105 32.1512 44.3025 -50.7719 45.9909 20.5126 TIMING: 1206400 CPU: 3584.03, 0.00300244/step Wall: 3584.03, 0.00300244/step, 3.16391 hours remaining, 205.226562 MB of memory in use. ENERGY: 1206400 696.0787 2105.6973 1959.9453 108.5527 -206025.2741 17512.5158 0.0000 0.0000 34306.1949 -149336.2894 299.6045 -183642.4842 -149236.6100 299.5604 -103.0051 -75.2626 556855.2186 24.8747 24.7164 PRESSURE: 1206600 3.38877 19.9918 56.5453 19.992 61.6271 49.1679 56.5444 49.1668 -136.923 GPRESSURE: 1206600 24.217 80.825 25.1528 -18.6349 134.394 69.9468 65.1066 25.0485 -122.394 PRESSAVG: 1206600 -13.2313 -66.3203 26.2168 -66.3203 1.15051 15.3807 26.2169 15.3809 -2.8314 GPRESSAVG: 1206600 -14.0359 -65.3596 28.5607 -66.9888 1.80702 13.8056 26.157 15.8626 -2.7277 TIMING: 1206600 CPU: 3584.63, 0.00299823/step Wall: 3584.63, 0.00299823/step, 3.1593 hours remaining, 205.226562 MB of memory in use. ENERGY: 1206600 667.9238 2095.0304 1935.1639 114.8372 -205878.3101 17687.3276 0.0000 0.0000 34253.9022 -149124.1250 299.1478 -183378.0272 -149026.5452 300.1849 -23.9689 12.0724 557338.6569 -4.9707 -4.9855 PRESSURE: 1206800 -70.6759 88.1443 -145.815 88.1455 346.058 -0.514946 -145.815 -0.515326 180.074 GPRESSURE: 1206800 -29.8644 119.503 -134.738 60.3753 402.332 -19.917 -180.429 7.92525 182.56 PRESSAVG: 1206800 -45.3829 -10.8121 24.7294 -10.8121 69.7559 -5.20931 24.7295 -5.20932 2.49604 GPRESSAVG: 1206800 -45.7323 -9.06528 24.8749 -11.5603 68.7522 -3.5189 21.6685 -5.51943 3.2995 TIMING: 1206800 CPU: 3585.23, 0.00299912/step Wall: 3585.23, 0.00299912/step, 3.16007 hours remaining, 205.226562 MB of memory in use. ENERGY: 1206800 730.5280 2129.7078 1918.5174 125.9350 -206380.7928 17934.2532 0.0000 0.0000 34387.0229 -149154.8285 300.3104 -183541.8514 -149061.8264 299.6189 151.8186 185.0092 556310.7737 8.9563 8.7731 PRESSURE: 1207000 27.4902 -229.777 126.994 -229.777 46.1909 67.1104 126.995 67.1114 -138.879 GPRESSURE: 1207000 82.7334 -160.587 41.6419 -238.017 70.7304 110.524 76.6001 119.341 -120.361 PRESSAVG: 1207000 -46.2337 39.814 -29.2001 39.8141 101.618 14.0038 -29.2002 14.0039 -21.1592 GPRESSAVG: 1207000 -45.1257 38.9383 -30.6224 41.848 101.594 11.7686 -26.2738 15.3179 -22.1047 TIMING: 1207000 CPU: 3585.83, 0.00299087/step Wall: 3585.83, 0.00299087/step, 3.15122 hours remaining, 205.226562 MB of memory in use. ENERGY: 1207000 772.5861 2112.8980 1933.1960 112.5863 -206362.9259 17932.3702 0.0000 0.0000 34218.0139 -149281.2754 298.8344 -183499.2893 -149180.3749 300.1629 -21.7327 11.0343 557837.9145 11.4085 11.4544 PRESSURE: 1207200 -23.8252 58.7601 55.9385 58.7588 -127.261 -134.107 55.9393 -134.107 82.1385 GPRESSURE: 1207200 13.6132 48.0355 106.259 112.481 -142.548 -140.633 -8.75368 -103.749 155.158 PRESSAVG: 1207200 -64.3851 -34.5954 -16.448 -34.5954 65.0199 -43.5232 -16.448 -43.523 15.6703 GPRESSAVG: 1207200 -64.9634 -34.0811 -17.219 -36.8188 64.1713 -42.9166 -17.9664 -45.5317 16.6036 TIMING: 1207200 CPU: 3586.43, 0.00299625/step Wall: 3586.43, 0.00299625/step, 3.15671 hours remaining, 205.226562 MB of memory in use. ENERGY: 1207200 725.7976 2130.9564 1955.0578 110.2699 -206086.9667 17749.5393 0.0000 0.0000 34372.3996 -149042.9460 300.1827 -183415.3456 -148948.1926 299.5431 -22.9826 8.7411 558644.9273 5.4350 5.2705 PRESSURE: 1207400 -274.964 141.096 6.38332 141.093 -143.61 -89.6589 6.38418 -89.6588 -68.0252 GPRESSURE: 1207400 -242.272 92.9288 -8.63692 172.452 -104.996 -119.104 24.7912 -144.605 -37.838 PRESSAVG: 1207400 1.61402 4.09308 12.1117 4.09306 -9.32916 -62.5235 12.1117 -62.5235 34.2097 GPRESSAVG: 1207400 1.58518 6.24839 12.5676 5.1733 -8.94017 -61.8424 12.8179 -62.6927 33.7166 TIMING: 1207400 CPU: 3587.03, 0.00298227/step Wall: 3587.03, 0.00298227/step, 3.14182 hours remaining, 205.226562 MB of memory in use. ENERGY: 1207400 769.9180 2119.8108 1939.6904 116.2555 -206123.0999 17636.0197 0.0000 0.0000 34331.8750 -149209.5304 299.8288 -183541.4054 -149108.2149 299.5762 -162.2000 -128.3686 557511.6104 8.8315 8.7872 PRESSURE: 1207600 130.212 27.8283 -110.412 27.8289 -66.1643 -172.099 -110.412 -172.097 322.295 GPRESSURE: 1207600 202.976 -18.3519 -233.025 37.8583 -10.2587 -147.919 -34.5289 -146.752 286.572 PRESSAVG: 1207600 -21.523 25.3347 -24.5333 25.3347 -38.3292 -44.6537 -24.5333 -44.6537 48.061 GPRESSAVG: 1207600 -20.61 21.1383 -25.8357 27.0143 -38.6092 -45.6247 -22.5232 -43.2547 47.1013 TIMING: 1207600 CPU: 3587.62, 0.00298009/step Wall: 3587.62, 0.00298009/step, 3.13936 hours remaining, 205.226562 MB of memory in use. ENERGY: 1207600 715.4702 2121.1667 1926.0526 93.5746 -206609.3589 18074.1195 0.0000 0.0000 34368.6909 -149310.2844 300.1503 -183678.9753 -149211.0474 299.0372 128.7810 159.7629 557250.5780 -3.9304 -4.0393 PRESSURE: 1207800 79.6099 -135.19 -78.1855 -135.189 -100.535 108.404 -78.1852 108.404 195.598 GPRESSURE: 1207800 80.166 -89.058 -61.8086 -137.119 -45.0838 126.661 -71.1625 103.119 233.906 PRESSAVG: 1207800 39.198 0.708153 -6.58771 0.708086 -33.0337 -0.321512 -6.58762 -0.321534 -2.73954 GPRESSAVG: 1207800 39.6581 1.13793 -3.7569 0.944309 -33.544 0.409667 -7.18173 -2.23545 -2.71052 TIMING: 1207800 CPU: 3588.22, 0.00299565/step Wall: 3588.22, 0.00299565/step, 3.15559 hours remaining, 205.226562 MB of memory in use. ENERGY: 1207800 787.6239 2089.0797 1927.8501 115.0356 -206706.2829 18096.1417 0.0000 0.0000 34163.6082 -149526.9438 298.3593 -183690.5520 -149430.0869 299.2563 58.2243 89.6626 557134.3163 1.1416 1.1345 PRESSURE: 1208000 143.703 19.5862 -44.8473 19.5857 -16.3244 -79.4041 -44.8474 -79.4044 -252.76 GPRESSURE: 1208000 134.153 -36.0728 -40.2134 52.7083 49.3291 -15.9631 -18.0274 -54.6228 -215.714 PRESSAVG: 1208000 9.61456 -5.90261 -27.2513 -5.90263 1.36042 27.7563 -27.2512 27.7564 -42.882 GPRESSAVG: 1208000 8.35138 -4.59981 -28.9574 -8.2959 1.17815 27.2874 -27.7434 28.0056 -41.5117 TIMING: 1208000 CPU: 3588.82, 0.00298637/step Wall: 3588.82, 0.00298637/step, 3.14565 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: 1208000 742.9403 2129.4955 1969.9456 109.1910 -206272.3012 17786.9528 0.0000 0.0000 34021.6726 -149512.1035 297.1197 -183533.7761 -149412.8280 298.2559 -41.7938 -10.7439 557515.7167 -10.6357 -10.6607 PRESSURE: 1208200 -53.1802 62.5033 -197.486 62.5033 -217.915 -128.418 -197.487 -128.418 -221.022 GPRESSURE: 1208200 -93.2434 105.401 -187.5 50.9308 -154.216 -128.466 -131.406 -192.014 -150.27 PRESSAVG: 1208200 28.7161 31.0613 -20.2848 31.0613 7.36035 -20.5085 -20.2848 -20.5086 -12.2742 GPRESSAVG: 1208200 27.9204 32.2252 -22.5231 31.2811 9.50015 -18.5263 -19.8992 -22.2277 -13.5137 TIMING: 1208200 CPU: 3589.42, 0.00300375/step Wall: 3589.42, 0.00300375/step, 3.16378 hours remaining, 205.226562 MB of memory in use. ENERGY: 1208200 753.0921 2096.8779 1938.0157 114.3970 -206319.9732 17628.3200 0.0000 0.0000 34320.5475 -149468.7231 299.7299 -183789.2706 -149373.9504 298.1973 -164.0390 -132.5763 557752.3043 7.9341 7.9689 LDB: ============= START OF LOAD BALANCING ============== 3592.85 LDB: ============== END OF LOAD BALANCING =============== 3592.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3592.85 LDB: ============= START OF LOAD BALANCING ============== 3593.15 LDB: Largest compute 4821 load 0.032753 is 27.8% of average load 0.117960 LDB: Average compute 0.001711 is 1.5% of average load 0.117960 LDB: TIME 3593.15 LOAD: AVG 0.11796 MAX 0.199116 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 3593.15 LOAD: AVG 0.11796 MAX 0.199116 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: TIME 3593.15 LOAD: AVG 0.11796 MAX 0.199116 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3593.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3593.16 PRESSURE: 1208400 -410.514 241.479 -158.599 241.479 -256.78 16.4831 -158.597 16.4829 46.1435 GPRESSURE: 1208400 -371.933 204.436 -185.892 138.471 -223.826 27.8156 -105.231 2.43532 63.2607 PRESSAVG: 1208400 -25.5412 33.2405 -43.3951 33.2405 -8.44335 -13.6023 -43.3951 -13.6024 10.5051 GPRESSAVG: 1208400 -23.9311 32.3655 -40.4895 33.9784 -9.87792 -15.081 -45.2464 -11.3245 10.9372 TIMING: 1208400 CPU: 3590.03, 0.00304292/step Wall: 3590.03, 0.00304292/step, 3.20487 hours remaining, 205.734375 MB of memory in use. ENERGY: 1208400 752.5807 2104.1271 1936.0703 119.9558 -205861.4558 17417.6888 0.0000 0.0000 34216.9166 -149314.1166 298.8248 -183531.0331 -149216.6265 298.8432 -207.0501 -177.4995 557707.5832 -7.8265 -7.6239 PRESSURE: 1208600 -117.384 -29.8674 150.611 -29.8671 -173.4 148.775 150.611 148.773 27.8814 GPRESSURE: 1208600 -108.473 17.4943 181.001 29.5749 -169.443 82.4207 133.004 104.5 113.657 PRESSAVG: 1208600 -17.7798 42.1011 21.4676 42.1011 3.45366 -22.4748 21.4676 -22.4748 20.2924 GPRESSAVG: 1208600 -18.2702 41.8867 20.7515 42.8631 3.1605 -25.0298 21.2696 -22.4308 21.3337 TIMING: 1208600 CPU: 3590.63, 0.00299079/step Wall: 3590.63, 0.00299079/step, 3.1498 hours remaining, 205.734375 MB of memory in use. ENERGY: 1208600 755.1745 2137.2085 1934.5603 100.7209 -206185.7543 17604.6706 0.0000 0.0000 34253.1110 -149400.3088 299.1409 -183653.4197 -149308.0541 298.8388 -87.6342 -54.7526 557159.6949 1.9888 2.0747 PRESSURE: 1208800 -78.3884 4.66903 5.02523 4.66952 -111.247 -66.7843 5.02452 -66.784 -325.187 GPRESSURE: 1208800 -59.0267 -1.18713 -20.9143 17.5871 -74.9372 0.125146 9.58426 -75.4462 -298.11 PRESSAVG: 1208800 -16.872 31.309 13.0682 31.309 30.0478 23.9933 13.0682 23.9934 -23.8061 GPRESSAVG: 1208800 -16.2082 31.6121 10.9856 30.4058 29.8637 25.3262 13.7761 23.3652 -24.0556 TIMING: 1208800 CPU: 3591.23, 0.00300283/step Wall: 3591.23, 0.00300283/step, 3.16231 hours remaining, 205.734375 MB of memory in use. ENERGY: 1208800 743.8236 2150.1953 1929.4484 110.6244 -206002.7024 17605.3611 0.0000 0.0000 34218.9725 -149244.2770 298.8428 -183463.2495 -149153.9377 298.7788 -171.6076 -144.0246 557598.2115 -3.5434 -3.4667 PRESSURE: 1209000 -55.0049 127.111 -66.3257 127.11 -87.3565 -18.4484 -66.3266 -18.4485 -66.2366 GPRESSURE: 1209000 -27.1236 68.8061 -88.5314 122.75 -102.309 -95.6082 -25.1548 -12.4057 26.9735 PRESSAVG: 1209000 -48.3157 6.52738 -20.2803 6.52733 16.4108 23.3284 -20.2803 23.3284 32.4206 GPRESSAVG: 1209000 -47.9819 7.10958 -18.4814 6.31885 15.9349 22.3144 -21.0228 22.656 32.5469 TIMING: 1209000 CPU: 3591.83, 0.00300785/step Wall: 3591.83, 0.00300785/step, 3.16744 hours remaining, 205.734375 MB of memory in use. ENERGY: 1209000 764.7115 2140.2741 1950.6886 124.4888 -205978.3935 17626.3181 0.0000 0.0000 34285.1894 -149086.7230 299.4211 -183371.9124 -148998.3357 299.6804 -69.5327 -34.1530 557451.2154 0.1719 0.1666 PRESSURE: 1209200 30.8722 68.5325 -46.9885 68.5324 -136.102 -56.3883 -46.9887 -56.3885 -49.2471 GPRESSURE: 1209200 46.2683 81.6693 94.0937 14.6298 -117.385 13.8834 -163.978 -78.593 -1.81133 PRESSAVG: 1209200 54.3463 33.5648 28.2752 33.5649 -37.3085 6.63947 28.2752 6.63946 -14.7053 GPRESSAVG: 1209200 53.579 32.9439 28.6976 34.5575 -35.6599 8.58687 27.9899 4.41797 -15.6963 TIMING: 1209200 CPU: 3592.42, 0.00297525/step Wall: 3592.42, 0.00297525/step, 3.13293 hours remaining, 205.734375 MB of memory in use. ENERGY: 1209200 755.7630 2135.1825 1928.0010 101.4392 -206116.1291 17706.5138 0.0000 0.0000 34482.2307 -149006.9989 301.1419 -183489.2297 -148908.6664 299.9824 -51.4924 -24.3093 557860.6154 0.7775 0.7409 PRESSURE: 1209400 183.569 76.6017 40.9814 76.6016 9.6756 7.75577 40.9815 7.75744 75.0265 GPRESSURE: 1209400 177.052 210.391 89.912 -42.7723 54.9827 17.5864 120.358 14.7449 137.732 PRESSAVG: 1209400 1.89829 -4.19379 -1.38875 -4.19384 32.6923 31.6863 -1.38876 31.6863 -28.8783 GPRESSAVG: 1209400 1.89596 -3.93793 -1.7064 -6.26957 32.9113 29.581 -2.5578 32.8034 -28.915 TIMING: 1209400 CPU: 3593.02, 0.00298633/step Wall: 3593.02, 0.00298633/step, 3.14443 hours remaining, 205.734375 MB of memory in use. ENERGY: 1209400 711.7746 2125.7057 1915.8437 92.7806 -206064.0322 17848.1274 0.0000 0.0000 34101.2939 -149268.5063 297.8151 -183369.8002 -149175.0895 299.7210 89.4238 123.2555 557422.3921 1.9041 1.9641 PRESSURE: 1209600 -354.352 6.41454 -18.5914 6.4128 19.8377 173.265 -18.5914 173.266 -75.3551 GPRESSURE: 1209600 -326.372 -78.4387 -26.5197 8.9875 29.1105 194.463 -29.3641 94.4217 -23.7758 PRESSAVG: 1209600 9.96679 5.2435 -44.6621 5.24346 54.9581 59.8999 -44.6621 59.9 -66.0783 GPRESSAVG: 1209600 10.6116 4.75388 -46.2656 5.78724 53.6142 60.7813 -43.8569 59.9878 -65.347 TIMING: 1209600 CPU: 3593.62, 0.00296986/step Wall: 3593.62, 0.00296986/step, 3.12693 hours remaining, 205.734375 MB of memory in use. ENERGY: 1209600 770.5251 2094.4252 1919.8257 110.4379 -205784.8676 17670.9191 0.0000 0.0000 34174.1176 -149044.6171 298.4511 -183218.7347 -148957.3075 299.0846 -136.6233 -107.0125 559388.4950 -0.3845 -0.3737 PRESSURE: 1209800 -73.2572 -175.951 -173.973 -175.95 -126.537 -52.3903 -173.974 -52.3912 -222.895 GPRESSURE: 1209800 -60.7791 -245.081 -112.814 -155.011 -38.8118 -29.4687 -277.907 -48.82 -212.034 PRESSAVG: 1209800 59.1586 -31.072 -68.3486 -31.0721 2.8557 31.9936 -68.3486 31.9937 -69.5196 GPRESSAVG: 1209800 59.3632 -28.6746 -66.0297 -33.4888 3.3038 32.8586 -68.8311 32.3921 -70.3877 TIMING: 1209800 CPU: 3594.22, 0.0029992/step Wall: 3594.22, 0.0029992/step, 3.15766 hours remaining, 205.734375 MB of memory in use. ENERGY: 1209800 779.0230 2124.4725 1903.3366 109.5945 -206128.2038 17796.0857 0.0000 0.0000 34405.0148 -149010.6767 300.4676 -183415.6916 -148917.3533 300.0892 -140.8964 -103.8751 559476.4293 -2.5018 -2.5736 PRESSURE: 1210000 173.856 -96.7143 -31.4867 -96.7133 30.6583 7.97707 -31.4866 7.97908 -106.151 GPRESSURE: 1210000 144.414 -20.942 57.6264 -128.169 73.5322 -43.0873 -96.795 95.8425 -20.0945 PRESSAVG: 1210000 80.1466 19.9482 -39.5227 19.9483 -10.1675 -13.8946 -39.5227 -13.8947 -57.5475 GPRESSAVG: 1210000 79.4811 16.882 -39.9723 23.6678 -10.2927 -12.2015 -41.2564 -14.877 -56.8022 TIMING: 1210000 CPU: 3594.82, 0.00300409/step Wall: 3594.82, 0.00300409/step, 3.16264 hours remaining, 205.734375 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: 1210000 811.1120 2136.5288 1939.5190 106.7427 -206150.5338 17941.0712 0.0000 0.0000 34019.7305 -149195.8295 297.1028 -183215.5600 -149104.9870 299.5193 32.7876 65.9505 557228.3793 4.1439 4.1287 PRESSURE: 1210200 -277.647 -41.6146 -196.008 -41.6132 -153.069 91.3743 -196.008 91.3747 -166.485 GPRESSURE: 1210200 -167.919 -28.298 -142.857 -15.5523 -129.278 74.0591 -274.685 120.557 -203.914 PRESSAVG: 1210200 46.263 -2.60759 -79.3497 -2.60754 3.67601 -34.038 -79.3497 -34.038 -48.5855 GPRESSAVG: 1210200 47.5388 -2.8704 -78.6404 -3.88105 3.38579 -37.1522 -78.1791 -31.5773 -49.1994 TIMING: 1210200 CPU: 3595.41, 0.00296016/step Wall: 3595.41, 0.00296016/step, 3.11623 hours remaining, 205.734375 MB of memory in use. ENERGY: 1210200 763.2239 2137.6609 1970.1821 113.0047 -206137.1896 17720.4501 0.0000 0.0000 34344.3113 -149088.3565 299.9374 -183432.6678 -148989.6941 299.3633 -199.0669 -167.0371 558619.9239 0.4512 0.5751 PRESSURE: 1210400 -5.74122 -43.6905 183.393 -43.6895 -112.136 -29.8293 183.392 -29.8298 -25.9399 GPRESSURE: 1210400 16.9541 -70.3466 184.795 -55.2239 -60.6762 -14.9954 164.657 -80.1676 2.47369 PRESSAVG: 1210400 35.5632 -1.35743 -40.9986 -1.35737 16.5507 -39.1924 -40.9986 -39.1925 4.13896 GPRESSAVG: 1210400 35.0296 -1.38089 -42.5145 0.903383 16.4053 -38.0923 -41.239 -42.6119 4.96168 TIMING: 1210400 CPU: 3596.01, 0.00298159/step Wall: 3596.01, 0.00298159/step, 3.13862 hours remaining, 205.734375 MB of memory in use. ENERGY: 1210400 754.9062 2094.0916 1939.9527 123.7475 -206116.8063 17843.1278 0.0000 0.0000 34215.7513 -149145.2293 298.8147 -183360.9806 -149050.4184 299.5067 -47.9390 -13.7495 559491.0856 18.7509 18.7988 PRESSURE: 1210600 -0.489538 19.7717 -71.5452 19.7711 -223.685 112 -71.5458 112.001 219.651 GPRESSURE: 1210600 60.8409 3.58481 -101.015 33.6313 -206.874 84.4424 -26.0976 107.34 243.194 PRESSAVG: 1210600 44.8733 51.2779 -19.5173 51.2779 -58.5372 -1.21364 -19.5172 -1.21362 -40.2188 GPRESSAVG: 1210600 44.3491 50.706 -18.6699 48.6949 -59.158 -2.31372 -19.2438 0.0279119 -39.0298 TIMING: 1210600 CPU: 3596.6, 0.00299343/step Wall: 3596.6, 0.00299343/step, 3.15091 hours remaining, 205.734375 MB of memory in use. ENERGY: 1210600 714.2372 2020.0647 1947.3956 103.6774 -205860.5319 17692.4873 0.0000 0.0000 34269.2004 -149113.4694 299.2815 -183382.6698 -149011.6094 299.4255 -1.5077 32.3870 557632.3731 -17.9609 -17.9463 PRESSURE: 1210800 -19.5539 28.5671 -33.9686 28.5678 -83.2061 108.849 -33.9697 108.85 196.437 GPRESSURE: 1210800 -10.0911 58.3062 -8.22739 -3.81988 -11.621 184.836 -15.4699 38.5771 209.477 PRESSAVG: 1210800 28.9123 26.193 37.2782 26.1929 6.52942 -5.42476 37.278 -5.42491 24.5601 GPRESSAVG: 1210800 29.6872 26.7711 34.5417 27.0556 6.72786 -3.9288 40.1741 -6.90849 23.7155 TIMING: 1210800 CPU: 3597.2, 0.00298096/step Wall: 3597.2, 0.00298096/step, 3.13762 hours remaining, 205.734375 MB of memory in use. ENERGY: 1210800 778.1644 2113.9258 1923.3048 116.6490 -206445.0912 17905.1696 0.0000 0.0000 34424.4131 -149183.4645 300.6370 -183607.8776 -149084.5232 299.5853 31.2255 62.5883 556660.0127 20.0006 20.0435 PRESSURE: 1211000 -22.6991 -73.7113 198.278 -73.7109 -75.4063 -97.1423 198.278 -97.1416 -198.533 GPRESSURE: 1211000 31.9474 -41.4529 143.86 -138.293 -41.0186 -25.052 190.147 -55.3602 -197.267 PRESSAVG: 1211000 28.5213 63.9658 33.0274 63.9658 -5.66009 3.32316 33.0274 3.32318 19.9066 GPRESSAVG: 1211000 28.7007 65.7913 35.5637 62.3709 -6.68808 2.69142 30.6712 5.53389 20.4701 TIMING: 1211000 CPU: 3597.79, 0.00295732/step Wall: 3597.79, 0.00295732/step, 3.11258 hours remaining, 205.734375 MB of memory in use. ENERGY: 1211000 762.2686 2149.9728 1942.3876 111.6579 -206167.3492 17699.2164 0.0000 0.0000 34291.0738 -149210.7720 299.4725 -183501.8458 -149116.2164 300.2667 -98.8794 -68.7796 557524.3852 14.2559 14.1609 PRESSURE: 1211200 -95.4556 36.7986 -249.182 36.798 -3.54822 125.874 -249.181 125.874 -65.6474 GPRESSURE: 1211200 -79.6999 119.94 -104.288 -43.5063 1.03448 81.9517 -326.811 95.283 13.5688 PRESSAVG: 1211200 50.9337 -4.41196 -1.55163 -4.41204 -5.36017 24.096 -1.5516 24.096 -22.1592 GPRESSAVG: 1211200 50.1936 -5.71332 -2.0314 -2.02686 -5.0717 24.584 -2.87919 21.6714 -21.7191 TIMING: 1211200 CPU: 3598.39, 0.00298596/step Wall: 3598.39, 0.00298596/step, 3.14256 hours remaining, 205.734375 MB of memory in use. ENERGY: 1211200 734.8862 2070.6503 1930.2953 117.9478 -205765.9693 17679.1087 0.0000 0.0000 34181.1420 -149051.9389 298.5124 -183233.0809 -148956.6452 299.3676 -54.8838 -21.6989 556754.1070 7.8048 7.8009 PRESSURE: 1211400 -236.341 5.01082 53.3878 5.01061 56.2643 -62.8184 53.3872 -62.8163 232.052 GPRESSURE: 1211400 -199.574 27.1151 77.8419 -38.5307 101.844 4.97779 13.899 -82.7781 243.329 PRESSAVG: 1211400 17.9773 -8.09147 -7.0214 -8.09163 9.67801 2.38847 -7.02143 2.38843 -16.3692 GPRESSAVG: 1211400 16.2908 -6.78877 -6.20442 -11.196 11.7977 0.932955 -6.01909 4.30097 -16.7355 TIMING: 1211400 CPU: 3598.98, 0.00295507/step Wall: 3598.98, 0.00295507/step, 3.10988 hours remaining, 205.734375 MB of memory in use. ENERGY: 1211400 739.6478 2118.9155 1921.9773 105.7676 -206431.1219 17947.6763 0.0000 0.0000 34324.9695 -149272.1679 299.7685 -183597.1375 -149172.7757 299.6523 17.3249 48.5328 556156.9049 3.7621 3.7843 PRESSURE: 1211600 -8.03451 218.302 73.656 218.302 -311.498 -83.7136 73.6549 -83.7132 39.6322 GPRESSURE: 1211600 50.3301 136.858 114.174 212.104 -317.329 18.0891 73.2958 -45.91 78.5799 PRESSAVG: 1211600 -24.9532 17.3751 28.5485 17.3751 46.6028 -14.88 28.5486 -14.88 -17.9481 GPRESSAVG: 1211600 -22.6848 14.8316 28.5149 18.1707 45.6517 -13.9728 28.023 -15.7975 -19.2405 TIMING: 1211600 CPU: 3599.57, 0.00295547/step Wall: 3599.57, 0.00295547/step, 3.11014 hours remaining, 205.734375 MB of memory in use. ENERGY: 1211600 733.7563 2127.8562 1914.3443 108.7089 -206370.2895 17870.7206 0.0000 0.0000 34255.7393 -149359.1638 299.1639 -183614.9032 -149263.0982 298.9007 -93.3000 -62.8063 556797.3816 1.2338 1.2422 PRESSURE: 1211800 142.141 -244.611 -76.8472 -244.611 225.075 32.6694 -76.8469 32.6712 211.101 GPRESSURE: 1211800 194.276 -261.121 -16.5774 -167.925 261.355 -86.7448 -57.3439 85.4781 213.43 PRESSAVG: 1211800 26.2071 -1.18433 -6.38901 -1.1844 -24.775 -75.2355 -6.38898 -75.2355 80.0956 GPRESSAVG: 1211800 26.893 0.276519 -7.15237 -1.47507 -26.6993 -76.8309 -6.12826 -75.1188 81.07 TIMING: 1211800 CPU: 3600.17, 0.00297703/step Wall: 3600.17, 0.00297703/step, 3.13266 hours remaining, 205.734375 MB of memory in use. ENERGY: 1211800 742.2729 2137.5362 1905.6966 116.4183 -206502.0006 18092.4590 0.0000 0.0000 34296.1282 -149211.4894 299.5166 -183507.6176 -149120.8467 299.2852 192.7722 223.0204 556286.9944 27.1759 27.0879 PRESSURE: 1212000 -100.632 122.736 -64.1275 122.736 -204.644 -85.8773 -64.1275 -85.877 -62.229 GPRESSURE: 1212000 -85.9425 102.446 -105.61 125.354 -203.711 36.5596 -52.3883 -105.704 18.7135 PRESSAVG: 1212000 -11.2532 -1.18584 19.7987 -1.18586 10.6197 -34.1186 19.7987 -34.1185 -18.422 GPRESSAVG: 1212000 -13.2305 -0.0942742 19.217 -0.993742 12.018 -32.713 18.7117 -34.8524 -17.5901 TIMING: 1212000 CPU: 3600.76, 0.00296024/step Wall: 3600.76, 0.00296024/step, 3.11483 hours remaining, 205.734375 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: 1212000 759.3622 2072.4278 1907.8306 112.9374 -206089.3413 17726.5242 0.0000 0.0000 34346.0964 -149164.1626 299.9530 -183510.2591 -149068.2862 299.3236 -122.5014 -90.3132 557726.8186 -6.3518 -6.2675 PRESSURE: 1212200 131.595 -14.9204 -36.8974 -14.9214 128.922 66.235 -36.898 66.2342 45.5258 GPRESSURE: 1212200 152.523 51.4071 -70.3516 -69.5758 173.981 -77.9102 58.8738 124.39 64.3815 PRESSAVG: 1212200 3.89575 55.3724 -39.646 55.3724 4.05446 13.7149 -39.6459 13.7149 -8.31195 GPRESSAVG: 1212200 4.92358 55.777 -38.3401 54.6533 4.4596 12.5186 -38.863 16.1746 -9.16729 TIMING: 1212200 CPU: 3601.35, 0.00296933/step Wall: 3601.35, 0.00296933/step, 3.12423 hours remaining, 205.734375 MB of memory in use. ENERGY: 1212200 774.4795 2084.9578 1908.3090 109.7870 -206500.1580 18062.6115 0.0000 0.0000 34277.6881 -149282.3251 299.3556 -183560.0132 -149187.1368 299.4056 102.0144 130.2954 557173.7284 -0.1206 0.0720 LDB: ============= START OF LOAD BALANCING ============== 3604.78 LDB: ============== END OF LOAD BALANCING =============== 3604.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3604.78 LDB: ============= START OF LOAD BALANCING ============== 3605.08 LDB: Largest compute 4821 load 0.033901 is 28.7% of average load 0.118042 LDB: Average compute 0.001708 is 1.4% of average load 0.118042 LDB: TIME 3605.08 LOAD: AVG 0.118042 MAX 0.200631 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.156 MB LDB: TIME 3605.08 LOAD: AVG 0.118042 MAX 0.200631 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.156 MB LDB: TIME 3605.08 LOAD: AVG 0.118042 MAX 0.200631 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.156 MB LDB: ============== END OF LOAD BALANCING =============== 3605.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3605.09 PRESSURE: 1212400 -152.454 -0.269035 -41.7715 -0.269424 -86.9903 93.8756 -41.7715 93.8769 -282.202 GPRESSURE: 1212400 -119.315 48.0355 -88.776 1.31394 -50.3613 29.5411 12.5354 140.463 -253.646 PRESSAVG: 1212400 -12.2163 3.81821 7.84969 3.81815 26.308 4.04108 7.84973 4.04113 -22.708 GPRESSAVG: 1212400 -12.8731 2.03221 6.32821 5.11918 26.8008 4.71087 9.31398 1.88201 -22.5628 TIMING: 1212400 CPU: 3601.96, 0.00304116/step Wall: 3601.96, 0.00304116/step, 3.19964 hours remaining, 206.503906 MB of memory in use. ENERGY: 1212400 720.7023 2058.8993 1927.7774 114.1599 -205933.1505 17411.5453 0.0000 0.0000 34244.9024 -149455.1639 299.0692 -183700.0663 -149349.2713 298.7870 -173.8822 -141.1073 557662.8966 -2.8721 -2.8784 PRESSURE: 1212600 -106.682 -169.399 87.7539 -169.397 197.487 130.931 87.7536 130.932 -12.3139 GPRESSURE: 1212600 -51.7567 -177.941 59.923 -170.181 217.119 132.682 57.2882 182.191 -15.6211 PRESSAVG: 1212600 -59.1359 -11.4364 -11.8675 -11.4365 16.9416 0.370961 -11.8675 0.370996 49.7084 GPRESSAVG: 1212600 -60.8315 -11.3472 -10.5937 -11.1968 17.3218 0.428359 -12.1145 1.44556 51.0707 TIMING: 1212600 CPU: 3602.56, 0.00297862/step Wall: 3602.56, 0.00297862/step, 3.13367 hours remaining, 206.503906 MB of memory in use. ENERGY: 1212600 746.2162 2078.8183 1942.0462 120.3812 -206579.9130 17851.2009 0.0000 0.0000 34360.8190 -149480.4312 300.0816 -183841.2503 -149387.1576 298.9026 26.1639 49.9138 556966.2087 2.5047 2.5203 PRESSURE: 1212800 -223.399 -68.414 -105.923 -68.4134 149.081 -215.206 -105.923 -215.206 105.386 GPRESSURE: 1212800 -177.867 -97.5373 -204.502 -62.5929 131.196 -251.433 -43.9438 -278.867 166.861 PRESSAVG: 1212800 8.95375 12.7544 -49.0565 12.7543 -23.4584 -35.7623 -49.0565 -35.7624 -22.7954 GPRESSAVG: 1212800 10.0633 12.5873 -48.994 10.6981 -24.6752 -35.9617 -50.656 -36.1221 -22.8493 TIMING: 1212800 CPU: 3603.15, 0.00295119/step Wall: 3603.15, 0.00295119/step, 3.10465 hours remaining, 206.503906 MB of memory in use. ENERGY: 1212800 708.1275 2105.0471 1921.2413 120.0888 -206464.3550 17934.3836 0.0000 0.0000 34210.8131 -149464.6536 298.7715 -183675.4667 -149372.3141 298.8544 10.3558 40.0635 557820.6674 -12.4333 -12.4871 PRESSURE: 1213000 -190.69 117.903 -103.62 117.903 -233.815 62.3616 -103.621 62.3609 -101.886 GPRESSURE: 1213000 -153.763 148.597 -101.86 67.3259 -184.27 121.592 -127.847 2.38843 -91.5937 PRESSAVG: 1213000 -24.31 40.8416 -5.15592 40.8416 35.9424 2.8312 -5.15596 2.8312 31.8219 GPRESSAVG: 1213000 -22.8577 40.7486 -6.95645 42.9619 35.5855 2.30254 -3.7975 3.08406 31.25 TIMING: 1213000 CPU: 3603.74, 0.00297754/step Wall: 3603.74, 0.00297754/step, 3.1322 hours remaining, 206.503906 MB of memory in use. ENERGY: 1213000 734.6686 2087.5809 1946.3525 116.8024 -206044.4649 17591.3944 0.0000 0.0000 34025.9553 -149541.7109 297.1571 -183567.6662 -149441.3222 298.4908 -175.4635 -143.2089 557319.5704 14.4847 14.6593 PRESSURE: 1213200 24.0388 12.9748 -105.064 12.9747 163.265 -62.8862 -105.065 -62.8877 155.977 GPRESSURE: 1213200 70.5338 2.81799 -135.226 8.76944 151.371 -54.504 -70.2353 9.22262 212.267 PRESSAVG: 1213200 78.584 36.6181 16.6587 36.618 -106.35 -19.8389 16.6587 -19.8388 85.1741 GPRESSAVG: 1213200 78.127 36.5892 19.248 35.8887 -105.745 -18.7801 15.6623 -20.4237 85.2738 TIMING: 1213200 CPU: 3604.34, 0.00297339/step Wall: 3604.34, 0.00297339/step, 3.12768 hours remaining, 206.503906 MB of memory in use. ENERGY: 1213200 761.3869 2110.6315 1912.0272 106.3729 -206429.8150 18007.6240 0.0000 0.0000 34220.4664 -149311.3061 298.8558 -183531.7724 -149220.7495 298.5021 114.4266 144.7237 557301.0035 19.1361 19.2186 PRESSURE: 1213400 -32.4473 -71.781 83.089 -71.7798 -160.432 -48.648 83.088 -48.647 -108.283 GPRESSURE: 1213400 -26.0148 -42.9965 25.778 -147.899 -58.4926 -25.617 47.1125 -73.764 -122.232 PRESSAVG: 1213400 25.2029 -6.47471 -39.0138 -6.47469 -54.7824 24.0415 -39.0138 24.0414 40.4255 GPRESSAVG: 1213400 25.3741 -7.63021 -37.8327 -4.91924 -54.075 23.2632 -39.7666 23.724 39.7642 TIMING: 1213400 CPU: 3604.93, 0.00295656/step Wall: 3604.93, 0.00295656/step, 3.10981 hours remaining, 206.503906 MB of memory in use. ENERGY: 1213400 731.0048 2051.6958 1920.0670 110.6244 -206332.1773 17687.9322 0.0000 0.0000 34182.7100 -149648.1432 298.5261 -183830.8532 -149545.0544 298.3973 -100.3874 -68.9131 556835.6667 3.6153 3.6878 PRESSURE: 1213600 16.9331 37.0564 -49.6647 37.0544 0.43908 -118.477 -49.6637 -118.478 283.092 GPRESSURE: 1213600 41.684 32.184 -9.31152 -24.8347 93.1043 -57.068 -28.4256 -137.892 252.742 PRESSAVG: 1213600 -5.93851 -6.34952 -37.8546 -6.3495 6.9892 -9.45647 -37.8547 -9.45657 -5.33319 GPRESSAVG: 1213600 -7.69142 -3.41344 -38.7486 -8.01479 8.9745 -7.01534 -36.3318 -11.6074 -4.85987 TIMING: 1213600 CPU: 3605.52, 0.00294291/step Wall: 3605.52, 0.00294291/step, 3.09528 hours remaining, 206.503906 MB of memory in use. ENERGY: 1213600 702.7313 2054.7998 1920.8922 121.9473 -206870.4952 18101.4642 0.0000 0.0000 34452.0841 -149516.5764 300.8786 -183968.6604 -149420.4806 298.3515 100.1548 129.1767 556631.9128 -1.4275 -1.1923 PRESSURE: 1213800 295.09 14.2599 -66.8872 14.2592 125.847 -66.1873 -66.8883 -66.1858 101.406 GPRESSURE: 1213800 323.881 -9.74859 -92.6339 83.2397 197.583 -107.063 4.19734 24.8207 88.6907 PRESSAVG: 1213800 -0.127435 26.803 -13.5067 26.8031 -17.4501 -10.908 -13.5067 -10.908 51.9007 GPRESSAVG: 1213800 1.58409 23.08 -13.2404 27.7783 -18.3454 -13.8465 -13.6998 -5.74545 51.2865 TIMING: 1213800 CPU: 3606.11, 0.00295181/step Wall: 3606.11, 0.00295181/step, 3.10449 hours remaining, 206.503906 MB of memory in use. ENERGY: 1213800 710.9200 2069.2832 1935.6168 110.6524 -206983.0076 18056.8150 0.0000 0.0000 34301.6674 -149798.0528 299.5650 -184099.7202 -149699.2721 297.7264 174.1143 203.3850 555688.6916 11.4411 11.5084 PRESSURE: 1214000 -122.249 -73.9528 -29.6239 -73.9534 213.128 -236.911 -29.6237 -236.911 -1.03003 GPRESSURE: 1214000 -110.266 -55.5192 -43.055 -83.6476 213.596 -226.042 -76.5043 -311.659 67.1727 PRESSAVG: 1214000 -29.6139 -47.2942 8.06345 -47.2942 32.3728 2.55718 8.0634 2.55732 -40.4027 GPRESSAVG: 1214000 -30.2423 -44.1079 6.31844 -47.0196 32.1702 3.99047 7.42459 0.166886 -40.0353 TIMING: 1214000 CPU: 3606.7, 0.00299095/step Wall: 3606.7, 0.00299095/step, 3.14548 hours remaining, 206.503906 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: 1214000 750.0497 2135.4262 1932.9564 118.4549 -207032.4629 18099.8608 0.0000 0.0000 34119.6410 -149876.0737 297.9753 -183995.7147 -149779.4960 297.9287 29.9496 56.8345 557093.2864 -12.5479 -12.7025 PRESSURE: 1214200 14.0395 128.828 -139.548 128.828 -78.5956 -128.506 -139.55 -128.506 128.511 GPRESSURE: 1214200 40.9051 203.996 -64.4076 -44.1056 -47.43 -109.299 -201.544 -144.871 169.267 PRESSAVG: 1214200 -4.06429 -21.4488 -20.2875 -21.4488 -17.4289 -46.5831 -20.2874 -46.5832 12.6897 GPRESSAVG: 1214200 -4.68468 -22.5509 -18.4149 -22.9501 -17.3055 -46.9299 -21.0912 -45.9288 12.8653 TIMING: 1214200 CPU: 3607.3, 0.00296256/step Wall: 3607.3, 0.00296256/step, 3.11546 hours remaining, 206.503906 MB of memory in use. ENERGY: 1214200 748.7013 2110.5937 1949.4151 111.2352 -206702.6838 17891.9244 0.0000 0.0000 34262.2062 -149628.6079 299.2204 -183890.8141 -149534.8534 298.1891 21.3182 54.2474 556770.3504 -2.9345 -3.0416 PRESSURE: 1214400 -75.512 5.47043 90.4824 5.47065 136.842 135.18 90.4823 135.179 -258.214 GPRESSURE: 1214400 -57.2504 -26.6438 98.7458 118.688 170.082 72.6914 152.865 75.0881 -220.453 PRESSAVG: 1214400 -47.058 27.1305 -29.6747 27.1305 -23.3882 55.971 -29.6747 55.971 31.9273 GPRESSAVG: 1214400 -46.6186 28.6515 -29.4988 27.4188 -23.4182 56.8134 -28.043 53.6938 31.0903 TIMING: 1214400 CPU: 3607.89, 0.00298485/step Wall: 3607.89, 0.00298485/step, 3.13873 hours remaining, 206.503906 MB of memory in use. ENERGY: 1214400 775.2672 2074.9214 1938.8907 126.2751 -206475.5264 17950.9424 0.0000 0.0000 34206.5253 -149402.7041 298.7341 -183609.2294 -149309.2029 298.9048 -65.6279 -35.8736 557257.9572 -12.8396 -12.9822 PRESSURE: 1214600 71.7434 -31.3925 29.3131 -31.3928 33.4679 99.9969 29.3124 99.9969 -244.96 GPRESSURE: 1214600 135.41 -3.40902 55.361 -125.78 87.5377 120.061 29.931 126.188 -248.321 PRESSAVG: 1214600 -5.43082 0.595747 -21.6809 0.595719 -10.0749 79.1831 -21.6809 79.1831 -13.8481 GPRESSAVG: 1214600 -5.68959 -0.551112 -21.2795 -0.40764 -9.99991 79.3058 -20.4742 78.8849 -13.7894 TIMING: 1214600 CPU: 3608.49, 0.00299346/step Wall: 3608.49, 0.00299346/step, 3.14762 hours remaining, 206.503906 MB of memory in use. ENERGY: 1214600 735.9370 2077.2246 1929.0250 117.8742 -205914.0577 17642.1840 0.0000 0.0000 34059.8803 -149351.9326 297.4534 -183411.8130 -149257.5694 299.7203 -46.5828 -8.4579 557691.6835 -9.7846 -9.8263 PRESSURE: 1214800 64.7551 -8.98752 107.507 -8.98819 60.069 68.5295 107.507 68.5313 141.759 GPRESSURE: 1214800 108.916 66.0601 119.544 -63.4607 105.127 75.3717 71.5819 103.655 160.202 PRESSAVG: 1214800 -13.3141 -17.2023 27.28 -17.2023 20.6436 7.47714 27.2801 7.47716 10.7685 GPRESSAVG: 1214800 -12.693 -17.5451 23.6143 -15.2835 20.2626 6.97542 27.755 9.54925 10.719 TIMING: 1214800 CPU: 3609.09, 0.00298206/step Wall: 3609.09, 0.00298206/step, 3.13547 hours remaining, 206.503906 MB of memory in use. ENERGY: 1214800 749.7201 2099.8831 1954.5157 109.7739 -206610.1756 18046.8991 0.0000 0.0000 34136.3394 -149513.0443 298.1211 -183649.3837 -149421.9556 298.5434 88.8612 124.7482 556504.2548 6.0327 6.0962 PRESSURE: 1215000 -172.767 148.693 -33.5869 148.691 -169.554 -44.9807 -33.5864 -44.9799 183.72 GPRESSURE: 1215000 -188.895 80.3002 35.4748 131.589 -101.597 -37.7313 -85.2578 -61.778 222.348 PRESSAVG: 1215000 -52.675 -27.3559 33.9902 -27.356 -6.3772 20.1758 33.9903 20.1759 66.6108 GPRESSAVG: 1215000 -53.1719 -25.6949 36.8986 -28.6328 -5.84664 20.2518 32.3899 19.1978 66.5091 TIMING: 1215000 CPU: 3609.69, 0.00299845/step Wall: 3609.69, 0.00299845/step, 3.15254 hours remaining, 206.503906 MB of memory in use. ENERGY: 1215000 783.4621 2067.7068 1943.3299 105.2052 -206696.7717 17940.0934 0.0000 0.0000 34472.2544 -149384.7198 301.0548 -183856.9742 -149284.9757 300.1322 -52.8670 -22.7146 555899.6044 2.5196 2.4968 PRESSURE: 1215200 -22.3871 -126.337 53.1357 -126.338 121.632 -254.343 53.1347 -254.343 200.946 GPRESSURE: 1215200 31.2412 -198.987 -45.6732 -78.7318 118.312 -204.16 74.9422 -161.076 253.728 PRESSAVG: 1215200 -29.2201 -2.1267 -34.4466 -2.12678 -23.9346 11.1883 -34.4467 11.1882 60.8654 GPRESSAVG: 1215200 -27.2125 -2.95558 -38.3179 0.194841 -25.7892 10.6385 -33.42 11.3596 60.5519 TIMING: 1215200 CPU: 3610.29, 0.00299966/step Wall: 3610.29, 0.00299966/step, 3.15364 hours remaining, 206.503906 MB of memory in use. ENERGY: 1215200 725.1874 2047.9308 1914.2678 118.6948 -206575.2324 18063.4318 0.0000 0.0000 34451.8194 -149253.9004 300.8763 -183705.7199 -149150.5939 299.3370 100.0636 134.4272 557445.9105 2.5702 2.5167 PRESSURE: 1215400 47.9462 -9.31553 -43.1042 -9.31525 30.1259 15.5384 -43.104 15.5388 33.5028 GPRESSURE: 1215400 72.312 98.7022 20.4292 -69.7392 37.3184 16.3744 -74.5417 -21.8175 94.6925 PRESSAVG: 1215400 17.6402 -45.7941 9.66524 -45.794 -57.5193 -2.96236 9.66536 -2.96232 46.7619 GPRESSAVG: 1215400 16.9852 -44.8626 11.2584 -47.9701 -56.9567 -0.696111 9.65407 -2.91411 46.5826 TIMING: 1215400 CPU: 3610.89, 0.00299808/step Wall: 3610.89, 0.00299808/step, 3.15181 hours remaining, 206.503906 MB of memory in use. ENERGY: 1215400 749.5929 2041.3337 1913.8103 112.1335 -206660.3981 18123.2267 0.0000 0.0000 34389.2070 -149331.0940 300.3295 -183720.3010 -149229.1174 299.6287 37.1917 68.1076 558174.9920 2.2943 2.2037 PRESSURE: 1215600 -122.61 -76.7567 87.8324 -76.7575 -260.84 -222.311 87.8324 -222.312 -116.967 GPRESSURE: 1215600 -126.74 -104.129 74.6996 -117.241 -208.672 -204.928 145.738 -118.294 -65.7777 PRESSAVG: 1215600 -36.8875 -8.34763 -39.5294 -8.34765 16.6899 10.5903 -39.5295 10.5903 26.5197 GPRESSAVG: 1215600 -37.6469 -8.50026 -39.3153 -7.21938 15.2257 9.29776 -38.0179 11.0944 27.8035 TIMING: 1215600 CPU: 3611.49, 0.00299964/step Wall: 3611.49, 0.00299965/step, 3.15329 hours remaining, 206.503906 MB of memory in use. ENERGY: 1215600 758.0092 2084.3282 1933.6645 103.8743 -206285.1742 17606.3877 0.0000 0.0000 34567.2207 -149231.6895 301.8841 -183798.9103 -149128.0766 299.6583 -166.8057 -133.7297 556377.7262 2.1073 1.7941 PRESSURE: 1215800 -138.695 7.05983 112.936 7.05895 56.4722 91.4287 112.935 91.4283 132.307 GPRESSURE: 1215800 -102.604 47.5575 43.5798 -17.7494 105.591 86.6447 150.329 104.358 151.235 PRESSAVG: 1215800 -26.725 8.23959 18.2302 8.23953 28.2511 18.0945 18.2302 18.0946 24.0779 GPRESSAVG: 1215800 -27.3875 9.87226 19.7307 7.5674 28.9688 18.0276 17.356 17.5111 23.883 TIMING: 1215800 CPU: 3612.09, 0.00301313/step Wall: 3612.09, 0.00301313/step, 3.1673 hours remaining, 206.503906 MB of memory in use. ENERGY: 1215800 746.6899 2099.3648 1920.2249 107.6950 -206075.6137 17594.8059 0.0000 0.0000 34252.6683 -149354.1649 299.1371 -183606.8332 -149254.0602 298.8960 16.6948 51.4073 555890.6434 8.5347 8.4881 PRESSURE: 1216000 49.6735 -42.548 33.742 -42.5478 114.218 -94.6523 33.7431 -94.6521 60.3622 GPRESSURE: 1216000 50.6442 -87.1237 -23.4389 -6.02619 134.964 -128.163 17.9221 -101.244 140.979 PRESSAVG: 1216000 -98.186 1.10418 -8.04246 1.10424 55.6914 -11.6223 -8.04247 -11.6223 48.0222 GPRESSAVG: 1216000 -98.3616 0.414834 -8.57995 0.737584 55.509 -12.8285 -8.39243 -12.6887 47.844 TIMING: 1216000 CPU: 3612.7, 0.00302478/step Wall: 3612.7, 0.00302478/step, 3.17938 hours remaining, 206.503906 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: 1216000 736.9979 2105.6559 1915.8364 98.3810 -206409.0429 18011.0069 0.0000 0.0000 34191.5754 -149349.5893 298.6035 -183541.1647 -149248.1377 298.2159 74.7514 108.8625 556311.7580 1.8425 1.6638 PRESSURE: 1216200 205.575 -27.6752 82.311 -27.6756 -89.5428 52.8651 82.3113 52.8638 33.6895 GPRESSURE: 1216200 222.235 -9.91287 64.0686 -27.9386 -52.8896 92.0621 110.479 43.1406 74.294 PRESSAVG: 1216200 -43.9302 -39.0461 38.2614 -39.046 33.2756 39.6268 38.2614 39.6268 0.225575 GPRESSAVG: 1216200 -44.777 -40.9776 38.508 -38.5953 34.3675 41.6399 38.5186 41.1181 -0.25649 TIMING: 1216200 CPU: 3613.3, 0.00299975/step Wall: 3613.3, 0.00299975/step, 3.1529 hours remaining, 206.503906 MB of memory in use. ENERGY: 1216200 741.5554 2092.6193 1887.3208 109.4771 -206308.0877 17854.1236 0.0000 0.0000 34360.7666 -149262.2247 300.0811 -183622.9914 -149164.7064 298.8465 49.9072 81.2130 556148.2675 -3.4763 -3.5553 LDB: ============= START OF LOAD BALANCING ============== 3616.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3616.73 LDB: =============== DONE WITH MIGRATION ================ 3616.73 LDB: ============= START OF LOAD BALANCING ============== 3617.02 LDB: Largest compute 4821 load 0.032656 is 27.7% of average load 0.118061 LDB: Average compute 0.001712 is 1.5% of average load 0.118061 LDB: TIME 3617.03 LOAD: AVG 0.118061 MAX 0.200394 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.531 MB LDB: TIME 3617.03 LOAD: AVG 0.118061 MAX 0.200394 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.531 MB LDB: TIME 3617.03 LOAD: AVG 0.118061 MAX 0.200394 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.531 MB LDB: ============== END OF LOAD BALANCING =============== 3617.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3617.03 PRESSURE: 1216400 -130.567 61.6291 -55.5187 61.6293 80.9842 92.4234 -55.5202 92.4236 48.345 GPRESSURE: 1216400 -78.9781 53.5015 -70.1413 127.888 116.7 -10.813 -76.9351 150.638 52.3094 PRESSAVG: 1216400 -21.5084 -1.76982 3.43096 -1.76991 -40.2082 14.0456 3.4309 14.0456 48.3957 GPRESSAVG: 1216400 -21.6055 -1.51502 2.35635 -2.64106 -41.4985 12.9893 3.10599 13.2174 49.078 TIMING: 1216400 CPU: 3613.9, 0.00304006/step Wall: 3613.9, 0.00304006/step, 3.1951 hours remaining, 206.562500 MB of memory in use. ENERGY: 1216400 747.5136 2114.1118 1962.4043 116.9834 -206231.5727 17940.3412 0.0000 0.0000 34075.3699 -149274.8485 297.5887 -183350.2184 -149188.3087 299.5633 -0.4127 30.0103 557686.3390 -4.4403 -4.6753 PRESSURE: 1216600 -133.683 27.3268 -5.72947 27.3269 61.4362 64.3905 -5.72985 64.3912 -22.569 GPRESSURE: 1216600 -43.5386 52.1605 -10.2176 -26.516 80.2575 48.2847 -11.1913 11.6017 -34.5905 PRESSAVG: 1216600 -4.51645 7.89699 -27.7471 7.89701 -45.7706 26.5985 -27.7471 26.5985 14.1865 GPRESSAVG: 1216600 -4.35368 9.82503 -27.9234 4.53613 -45.1527 27.4202 -29.0204 25.8805 13.0832 TIMING: 1216600 CPU: 3614.5, 0.00297923/step Wall: 3614.5, 0.00297923/step, 3.13101 hours remaining, 206.765625 MB of memory in use. ENERGY: 1216600 722.9303 2122.0403 1918.6462 111.0659 -205884.1423 17616.8753 0.0000 0.0000 34138.6761 -149253.9083 298.1415 -183392.5844 -149163.7948 299.2826 -31.6051 0.7095 556984.9475 -12.0335 -12.1410 PRESSURE: 1216800 -2.24236 37.2145 175.831 37.2135 -24.1069 -40.4268 175.832 -40.4275 -177.623 GPRESSURE: 1216800 31.0113 34.4802 207.814 -61.9604 24.5472 -7.40983 73.8209 -108.255 -174.027 PRESSAVG: 1216800 -22.8347 6.45984 16.9446 6.45985 -22.9552 22.103 16.9446 22.103 16.6826 GPRESSAVG: 1216800 -23.2634 6.9855 17.8191 9.31177 -23.132 19.715 16.1967 23.6152 17.493 TIMING: 1216800 CPU: 3615.09, 0.00297377/step Wall: 3615.09, 0.00297377/step, 3.1251 hours remaining, 206.765625 MB of memory in use. ENERGY: 1216800 745.2763 2092.4989 1928.2206 113.3659 -206012.4414 17660.0693 0.0000 0.0000 34192.1490 -149280.8615 298.6085 -183473.0105 -149186.6931 298.7653 -67.9906 -39.4894 556302.6710 -9.7024 -9.6341 PRESSURE: 1217000 -369.02 32.7226 -4.00565 32.7216 -11.39 9.0378 -4.00481 9.03961 -21.1035 GPRESSURE: 1217000 -300.338 56.0852 28.0142 101.374 33.4354 58.4213 25.2251 40.9665 -29.8225 PRESSAVG: 1217000 24.7443 25.237 58.8258 25.237 -38.6252 18.8847 58.8258 18.8847 26.1475 GPRESSAVG: 1217000 25.9196 22.6151 56.574 26.4517 -38.6895 20.2574 60.0419 18.2008 25.4207 TIMING: 1217000 CPU: 3615.69, 0.00296478/step Wall: 3615.69, 0.00296478/step, 3.11549 hours remaining, 206.765625 MB of memory in use. ENERGY: 1217000 743.4759 2095.1247 1911.1534 116.9262 -206024.1639 17650.6564 0.0000 0.0000 34272.5045 -149234.3228 299.3103 -183506.8273 -149133.9471 299.7739 -133.8378 -98.9085 557612.0495 4.0889 4.2169 PRESSURE: 1217200 44.0927 7.66028 140.38 7.65961 -339.552 58.2045 140.382 58.2036 -408.734 GPRESSURE: 1217200 38.3256 -37.7614 176.932 -59.2247 -308.753 -68.7085 148.399 117.619 -337.095 PRESSAVG: 1217200 31.4645 -7.74713 10.9858 -7.74714 -8.21585 68.1526 10.9859 68.1526 -2.08546 GPRESSAVG: 1217200 30.996 -6.34615 14.5115 -10.8979 -8.31271 67.1078 8.62696 70.3693 -1.80762 TIMING: 1217200 CPU: 3616.28, 0.0029561/step Wall: 3616.28, 0.0029561/step, 3.10621 hours remaining, 206.765625 MB of memory in use. ENERGY: 1217200 759.3426 2089.9061 1907.3294 121.6176 -206045.3141 17522.1300 0.0000 0.0000 34314.9834 -149330.0050 299.6813 -183644.9884 -149237.3017 299.0546 -234.7310 -202.5073 557982.4522 7.0544 6.9586 PRESSURE: 1217400 302.323 -95.1 -29.324 -95.0979 75.7655 -45.3786 -29.3249 -45.3785 -33.7932 GPRESSURE: 1217400 331.5 -74.4835 0.358732 -74.3338 122.743 -38.9258 47.6499 -18.8191 -12.3987 PRESSAVG: 1217400 106.418 -45.3234 11.8567 -45.3235 -45.0289 39.3399 11.8568 39.3399 5.4224 GPRESSAVG: 1217400 105.376 -44.6901 9.37003 -42.1264 -43.8347 40.7434 12.583 36.8077 5.8331 TIMING: 1217400 CPU: 3616.87, 0.00296547/step Wall: 3616.87, 0.00296547/step, 3.11588 hours remaining, 206.765625 MB of memory in use. ENERGY: 1217400 760.1230 2115.1907 1927.2715 127.6197 -206743.5343 18165.3105 0.0000 0.0000 34254.2789 -149393.7400 299.1511 -183648.0189 -149294.3738 298.6048 114.7650 147.2814 556352.2563 22.2704 22.4581 PRESSURE: 1217600 34.4695 45.3003 -258.504 45.2998 92.1657 -32.3568 -258.504 -32.3584 -10.1955 GPRESSURE: 1217600 72.4928 51.0855 -163.41 -116.21 75.6898 -85.0331 -200.246 -16.4397 61.8825 PRESSAVG: 1217600 6.56228 -15.3263 -36.5581 -15.3262 11.7674 21.99 -36.558 21.99 3.10171 GPRESSAVG: 1217600 7.11313 -16.1058 -34.5227 -18.1649 11.4483 23.4783 -35.2998 20.0144 2.77585 TIMING: 1217600 CPU: 3617.47, 0.00297596/step Wall: 3617.47, 0.00297596/step, 3.12674 hours remaining, 206.765625 MB of memory in use. ENERGY: 1217600 768.6895 2089.0678 1919.7502 126.5027 -206150.5549 17689.8652 0.0000 0.0000 34243.9965 -149312.6830 299.0613 -183556.6795 -149208.7100 299.5220 38.8132 70.0217 556905.8898 7.1438 7.1124 PRESSURE: 1217800 -17.3977 -74.3291 -107.669 -74.3278 -24.2548 -43.3183 -107.67 -43.3177 -226.257 GPRESSURE: 1217800 -23.1447 -51.6189 -77.8921 -58.3785 -27.3576 -92.9814 -111.01 -0.482175 -129.578 PRESSAVG: 1217800 38.8673 -21.1628 -35.2089 -21.1627 38.808 -15.6234 -35.209 -15.6234 -61.054 GPRESSAVG: 1217800 38.2266 -19.9206 -35.2317 -20.1314 38.5699 -18.0073 -36.146 -13.1553 -60.4391 TIMING: 1217800 CPU: 3618.06, 0.00296134/step Wall: 3618.06, 0.00296134/step, 3.11122 hours remaining, 206.765625 MB of memory in use. ENERGY: 1217800 794.4702 2146.5001 1898.8785 120.6838 -206066.7502 17755.2923 0.0000 0.0000 34100.9435 -149249.9818 297.8120 -183350.9254 -149156.6070 299.0519 -89.3030 -60.0269 557526.5169 5.5404 5.4525 PRESSURE: 1218000 -63.5995 95.901 28.9554 95.9013 -155.896 7.26682 28.9571 7.26588 -307.216 GPRESSURE: 1218000 -41.0306 130.931 -28.3989 99.6804 -81.8091 -7.60027 61.261 21.8444 -305.349 PRESSAVG: 1218000 -32.047 -15.5775 -38.5126 -15.5775 80.9183 39.1383 -38.5126 39.1383 -27.6368 GPRESSAVG: 1218000 -31.8673 -15.7713 -40.7803 -16.6523 79.9389 39.9657 -34.3482 37.7077 -26.3027 TIMING: 1218000 CPU: 3618.65, 0.00295775/step Wall: 3618.65, 0.00295775/step, 3.10728 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: 1218000 762.9389 2115.8319 1924.5215 117.2193 -205719.4077 17412.7155 0.0000 0.0000 34320.7949 -149065.3856 299.7320 -183386.1805 -148960.1744 299.3762 -175.5706 -142.7296 556675.2705 7.0782 7.2563 PRESSURE: 1218200 -121.603 -47.6461 -26.0729 -47.6466 328.559 92.6484 -26.0727 92.6486 -32.5243 GPRESSURE: 1218200 -74.0124 -18.0303 -39.9828 -3.1271 301.305 164.269 -68.6022 66.1609 37.6338 PRESSAVG: 1218200 -9.939 28.5912 1.94513 28.5911 34.4214 -46.1561 1.9451 -46.156 -20.7867 GPRESSAVG: 1218200 -10.3822 28.9666 4.30391 29.3461 36.016 -45.6557 -3.00783 -47.0551 -21.9191 TIMING: 1218200 CPU: 3619.24, 0.00296713/step Wall: 3619.24, 0.00296713/step, 3.11697 hours remaining, 206.765625 MB of memory in use. ENERGY: 1218200 736.6859 2137.2754 1922.1152 122.1378 -206096.5234 17832.0846 0.0000 0.0000 34319.0031 -149027.2215 299.7164 -183346.2245 -148924.9032 299.9996 58.1437 88.3089 555510.6409 1.2319 1.2382 PRESSURE: 1218400 -59.7298 -236.283 -30.2677 -236.284 140.942 -53.6825 -30.2675 -53.6827 -137.972 GPRESSURE: 1218400 -88.2441 -242.724 -27.6654 -163.59 222.582 -8.97112 2.54988 -116.609 -95.6303 PRESSAVG: 1218400 -44.7305 18.942 -11.9956 18.942 52.8423 -4.98708 -11.9956 -4.98716 20.5808 GPRESSAVG: 1218400 -44.5727 18.4927 -15.4477 18.7715 51.9003 -5.61703 -8.86147 -2.40332 21.3099 TIMING: 1218400 CPU: 3619.83, 0.00295255/step Wall: 3619.83, 0.00295255/step, 3.10149 hours remaining, 206.765625 MB of memory in use. ENERGY: 1218400 733.9077 2112.5633 1945.8730 111.7816 -206152.5481 17713.9146 0.0000 0.0000 34095.5657 -149438.9422 297.7651 -183534.5079 -149343.5386 298.9482 -18.9199 12.9024 556136.1951 9.5642 9.5458 PRESSURE: 1218600 -8.19324 123.463 74.4311 123.463 78.6126 -126.729 74.4315 -126.729 240.094 GPRESSURE: 1218600 66.5033 180.307 98.1318 45.8808 114.042 -151.649 26.2775 -97.0338 220.154 PRESSAVG: 1218600 -35.8975 7.78475 -2.16309 7.78473 21.0281 -21.3021 -2.16312 -21.3021 20.6499 GPRESSAVG: 1218600 -36.6098 9.39876 -1.0444 6.12608 22.912 -21.1398 -2.72037 -21.6802 19.2758 TIMING: 1218600 CPU: 3620.43, 0.00295856/step Wall: 3620.43, 0.00295856/step, 3.10764 hours remaining, 206.765625 MB of memory in use. ENERGY: 1218600 712.3253 2164.1540 1918.1360 119.3416 -206599.9685 17977.9576 0.0000 0.0000 34184.5201 -149523.5340 298.5419 -183708.0541 -149431.4789 299.0089 103.5044 133.5664 556319.8871 1.9268 1.8594 PRESSURE: 1218800 69.6591 -59.2071 31.2389 -59.2063 91.0033 -10.3638 31.2403 -10.3646 -87.1877 GPRESSURE: 1218800 56.4621 -57.7705 -60.3598 -38.8647 88.5159 33.724 97.4705 -129.48 30.5526 PRESSAVG: 1218800 -11.4214 -22.3521 37.7845 -22.3521 2.51434 -5.63228 37.7845 -5.63228 17.5251 GPRESSAVG: 1218800 -10.5736 -25.3527 39.2033 -20.2328 0.570834 -5.93176 37.4292 -7.8257 18.5827 TIMING: 1218800 CPU: 3621.03, 0.00299708/step Wall: 3621.03, 0.00299708/step, 3.14793 hours remaining, 206.765625 MB of memory in use. ENERGY: 1218800 740.2652 2063.0643 1950.3703 129.2947 -206522.0658 18004.5157 0.0000 0.0000 34299.7155 -149334.8400 299.5479 -183634.5556 -149240.6558 298.4932 24.4916 58.5102 556508.0601 2.8727 2.8600 PRESSURE: 1219000 -47.6175 -109.919 21.1805 -109.918 -141.239 -203.477 21.1814 -203.478 24.3117 GPRESSURE: 1219000 -3.00256 -43.5759 26.2679 -208.36 -63.2765 -231.914 -2.69347 -204.791 3.67343 PRESSAVG: 1219000 -82.1107 -22.4795 -32.0003 -22.4795 12.9477 -17.8064 -32.0002 -17.8063 -7.32918 GPRESSAVG: 1219000 -81.7573 -20.7415 -32.2565 -22.7604 14.1273 -17.0021 -31.8639 -17.0551 -9.12511 TIMING: 1219000 CPU: 3621.62, 0.00295835/step Wall: 3621.62, 0.00295835/step, 3.10708 hours remaining, 206.765625 MB of memory in use. ENERGY: 1219000 736.2393 2138.2724 1913.5753 118.4694 -206095.2985 17938.7510 0.0000 0.0000 33940.3787 -149309.6123 296.4098 -183249.9911 -149211.8157 298.4032 -54.8482 -20.8686 560002.9670 -25.4974 -25.5850 PRESSURE: 1219200 -179.857 42.0451 93.9415 42.0455 -168.048 17.1663 93.9426 17.1679 -98.5705 GPRESSURE: 1219200 -157.581 60.7268 71.7809 92.8343 -115.44 -13.6367 91.3222 74.6908 -56.939 PRESSAVG: 1219200 -85.5901 80.3301 -14.2765 80.3301 63.5849 33.2534 -14.2766 33.2533 41.0541 GPRESSAVG: 1219200 -86.5944 79.441 -14.0939 80.9136 62.6426 32.8553 -13.0793 34.2383 42.4146 TIMING: 1219200 CPU: 3622.21, 0.0029577/step Wall: 3622.21, 0.0029577/step, 3.10624 hours remaining, 206.765625 MB of memory in use. ENERGY: 1219200 743.4175 2184.2512 1958.6152 113.9539 -206656.3404 17886.1504 0.0000 0.0000 34284.9482 -149485.0041 299.4190 -183769.9522 -149395.8314 298.5795 -148.8250 -109.9867 559079.1116 6.3496 6.1542 PRESSURE: 1219400 -65.1319 118.925 -61.5136 118.926 -275.071 32.4634 -61.5146 32.4629 -322.87 GPRESSURE: 1219400 -15.7758 66.6286 -43.1905 211.598 -249.416 57.9126 -106.369 -14.5202 -292.426 PRESSAVG: 1219400 -26.6313 47.1764 8.10092 47.1764 10.7492 -3.19636 8.1009 -3.19641 5.42666 GPRESSAVG: 1219400 -25.6907 48.326 6.95385 47.1445 12.5568 -5.82805 7.63849 -2.80763 3.02645 TIMING: 1219400 CPU: 3622.81, 0.00298331/step Wall: 3622.81, 0.00298331/step, 3.13297 hours remaining, 206.765625 MB of memory in use. ENERGY: 1219400 741.3427 2064.2259 1946.9244 123.9751 -206436.7931 17842.2878 0.0000 0.0000 34022.6041 -149695.4330 297.1279 -183718.0371 -149583.0756 298.0953 -221.0243 -185.8727 559921.1003 -3.4851 -3.3691 PRESSURE: 1219600 -56.1146 31.6513 82.3337 31.6506 -153.44 -126.107 82.3337 -126.107 -252.735 GPRESSURE: 1219600 -9.88835 54.2961 52.8204 43.2526 -105.267 -214.626 101.77 -138.879 -237.312 PRESSAVG: 1219600 63.616 51.1224 -50.0105 51.1224 -40.6291 52.6909 -50.0105 52.6909 -20.6862 GPRESSAVG: 1219600 63.1648 51.8574 -51.1026 50.8853 -41.7031 54.938 -48.8533 52.097 -19.2062 TIMING: 1219600 CPU: 3623.4, 0.00298222/step Wall: 3623.4, 0.00298222/step, 3.13166 hours remaining, 206.765625 MB of memory in use. ENERGY: 1219600 786.4246 2065.4004 1957.0482 112.4528 -206442.2576 17852.7677 0.0000 0.0000 34126.6829 -149541.4809 298.0368 -183668.1638 -149447.1155 298.1459 -154.0965 -117.4892 557794.9938 0.7669 0.7518 PRESSURE: 1219800 136.299 71.5192 -26.2535 71.5189 -67.3222 -46.4005 -26.2531 -46.4022 165.776 GPRESSURE: 1219800 189.492 109.068 15.5491 14.1946 -81.3292 13.7622 -75.7048 -87.8423 207.235 PRESSAVG: 1219800 -15.608 -14.3445 -0.0497867 -14.3445 -23.3657 38.6943 -0.0497804 38.6943 35.0578 GPRESSAVG: 1219800 -14.7838 -15.5366 1.40029 -13.0233 -24.2497 38.2298 -0.567185 38.4952 34.4533 TIMING: 1219800 CPU: 3624, 0.0029887/step Wall: 3624, 0.0029887/step, 3.1383 hours remaining, 206.765625 MB of memory in use. ENERGY: 1219800 731.2605 2121.8093 1947.7324 104.4852 -206351.1271 17942.4454 0.0000 0.0000 34055.1077 -149448.2866 297.4117 -183503.3943 -149356.0563 298.4807 78.2507 105.1326 557710.9207 -1.3053 -1.5267 PRESSURE: 1220000 -223.735 200.967 -84.9156 200.967 -24.0068 -248.694 -84.9162 -248.695 -197.136 GPRESSURE: 1220000 -242.469 176.206 -180.613 192.277 20.2943 -305.704 -49.0269 -232.963 -126.439 PRESSAVG: 1220000 -24.8483 -5.29706 -1.55784 -5.29713 4.37573 -22.5579 -1.55785 -22.5579 24.0846 GPRESSAVG: 1220000 -24.9797 -5.64994 -0.297882 -4.31495 4.33356 -22.3148 -3.13619 -22.7134 24.5468 TIMING: 1220000 CPU: 3624.6, 0.00298718/step Wall: 3624.6, 0.00298718/step, 3.13654 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: 1220000 742.3523 2123.8797 1954.9923 103.1014 -206438.2247 17793.4932 0.0000 0.0000 34154.2025 -149566.2033 298.2771 -183720.4058 -149465.4435 299.0694 -148.2924 -116.2047 557927.4072 1.2040 1.3002 PRESSURE: 1220200 111.055 -96.2049 -16.9359 -96.2053 -125.567 -51.5866 -16.9359 -51.586 -185.575 GPRESSURE: 1220200 93.1082 -133.823 -53.4562 -10.7416 -109.789 -70.9513 -12.1283 -97.3307 -87.6095 PRESSAVG: 1220200 -12.2633 21.4451 -18.0253 21.4451 36.1846 -32.38 -18.0253 -32.3801 -7.44617 GPRESSAVG: 1220200 -11.9901 23.1989 -19.5778 19.2759 37.179 -31.077 -16.4508 -33.7122 -8.64898 TIMING: 1220200 CPU: 3625.2, 0.00298986/step Wall: 3625.2, 0.00298986/step, 3.13918 hours remaining, 206.765625 MB of memory in use. ENERGY: 1220200 761.1025 2124.9712 1948.6721 106.1195 -206419.3763 17887.2201 0.0000 0.0000 34257.6631 -149333.6279 299.1807 -183591.2910 -149236.1236 299.3402 -66.6957 -34.7635 558634.0179 5.4917 5.5133 LDB: ============= START OF LOAD BALANCING ============== 3628.62 LDB: ============== END OF LOAD BALANCING =============== 3628.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3628.63 LDB: ============= START OF LOAD BALANCING ============== 3628.93 LDB: Largest compute 4821 load 0.033524 is 28.4% of average load 0.118025 LDB: Average compute 0.001709 is 1.4% of average load 0.118025 LDB: TIME 3628.93 LOAD: AVG 0.118025 MAX 0.199198 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.035 MB LDB: TIME 3628.93 LOAD: AVG 0.118025 MAX 0.199198 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.035 MB LDB: TIME 3628.93 LOAD: AVG 0.118025 MAX 0.199198 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.035 MB LDB: ============== END OF LOAD BALANCING =============== 3628.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3628.93 PRESSURE: 1220400 -200.786 90.4748 -64.6166 90.4766 -220.004 1.86752 -64.6164 1.86873 233.728 GPRESSURE: 1220400 -172.055 84.5869 -87.3046 63.5511 -152.955 -5.12959 -82.5402 29.2104 233.868 PRESSAVG: 1220400 -44.9446 26.3063 0.755467 26.3064 29.2581 -1.40364 0.755379 -1.40371 45.3289 GPRESSAVG: 1220400 -46.4214 26.1831 1.49129 24.5933 28.9988 -4.66643 1.06145 1.08297 46.2829 TIMING: 1220400 CPU: 3625.8, 0.00304634/step Wall: 3625.8, 0.00304634/step, 3.19832 hours remaining, 207.273438 MB of memory in use. ENERGY: 1220400 777.1352 2159.1267 1959.1550 109.7577 -206407.3932 17821.5274 0.0000 0.0000 34363.7989 -149216.8924 300.1076 -183580.6912 -149120.7746 299.7133 -62.3536 -30.3805 556567.4632 9.8808 9.6201 PRESSURE: 1220600 -396.151 -158.375 -184.426 -158.374 -201.505 -171.324 -184.427 -171.325 -182.23 GPRESSURE: 1220600 -407.739 -167.409 -255.732 -154.622 -190.19 -179.835 -215.855 -158.867 -79.2774 PRESSAVG: 1220600 26.2279 -13.8933 -46.9801 -13.8934 -70.764 0.90508 -46.9801 0.905157 102.591 GPRESSAVG: 1220600 26.6685 -14.8912 -46.191 -13.4521 -71.3115 0.982793 -49.4099 0.869279 102.151 TIMING: 1220600 CPU: 3626.4, 0.00298702/step Wall: 3626.4, 0.00298702/step, 3.13587 hours remaining, 207.273438 MB of memory in use. ENERGY: 1220600 764.9192 2133.7827 1978.1045 110.1576 -206007.2698 17563.4326 0.0000 0.0000 34247.2544 -149209.6187 299.0898 -183456.8731 -149119.2262 299.6209 -259.9620 -225.7355 557997.8251 19.3518 19.1694 PRESSURE: 1220800 125.432 -25.0032 -18.9679 -25.0024 24.8076 54.2166 -18.9686 54.2174 -15.8298 GPRESSURE: 1220800 98.2232 -15.2177 -10.6406 -45.1102 82.7023 65.9546 -46.4945 -34.3053 54.3814 PRESSAVG: 1220800 -20.3402 -16.416 -11.4561 -16.4158 17.1272 -37.4596 -11.456 -37.4597 -12.5804 GPRESSAVG: 1220800 -18.9053 -14.2359 -12.4717 -14.2096 16.7232 -35.6279 -10.2421 -36.3291 -13.3665 TIMING: 1220800 CPU: 3627, 0.00298272/step Wall: 3627, 0.00298272/step, 3.1312 hours remaining, 207.273438 MB of memory in use. ENERGY: 1220800 768.4330 2131.2044 1943.8687 111.4481 -206440.5778 17903.6226 0.0000 0.0000 34095.2324 -149486.7686 297.7621 -183582.0010 -149392.9564 298.9921 44.8032 78.4356 555678.1227 -5.2645 -5.1829 PRESSURE: 1221000 -371.059 -30.3167 41.0792 -30.3172 66.2718 2.50539 41.0794 2.50378 -66.9126 GPRESSURE: 1221000 -292.829 -52.0926 66.9185 -65.4661 53.374 32.1711 -14.019 -71.8427 -32.8224 PRESSAVG: 1221000 21.6042 5.47376 33.826 5.47373 -37.8743 -7.38353 33.826 -7.38359 29.7705 GPRESSAVG: 1221000 21.3576 4.74163 33.9275 4.29586 -38.4115 -5.8243 33.3482 -8.39683 31.0374 TIMING: 1221000 CPU: 3627.6, 0.00299188/step Wall: 3627.6, 0.00299188/step, 3.14064 hours remaining, 207.273438 MB of memory in use. ENERGY: 1221000 765.0555 2090.0277 1945.2936 119.8633 -206140.4603 17515.5854 0.0000 0.0000 34374.3056 -149330.3291 300.1994 -183704.6348 -149233.2857 299.0730 -123.9001 -90.7593 555231.8468 4.5001 4.6611 PRESSURE: 1221200 27.5313 112.009 122.219 112.01 -82.5885 -160.555 122.22 -160.554 11.5197 GPRESSURE: 1221200 28.6435 177.533 79.4104 114.053 -32.3885 -165.463 193.408 -64.26 59.8086 PRESSAVG: 1221200 1.32972 -5.13502 18.528 -5.13497 20.3509 -9.57225 18.528 -9.57229 -25.5241 GPRESSAVG: 1221200 0.952616 -4.50922 18.7052 -6.47087 21.424 -10.7346 19.6703 -10.6 -25.8815 TIMING: 1221200 CPU: 3628.19, 0.0029661/step Wall: 3628.19, 0.0029661/step, 3.11341 hours remaining, 207.273438 MB of memory in use. ENERGY: 1221200 722.9068 2055.4872 1957.2614 123.7653 -206029.5221 17620.1061 0.0000 0.0000 34227.8510 -149322.1443 298.9203 -183549.9954 -149221.5667 299.1685 -14.5125 18.6879 555733.3543 -1.2812 -1.1683 PRESSURE: 1221400 26.133 -65.229 35.159 -65.2298 -17.6769 -89.907 35.1594 -89.9056 -27.3622 GPRESSURE: 1221400 97.0354 26.6761 -29.2771 -83.2677 4.30522 -111.06 64.8806 -8.19202 -14.6322 PRESSAVG: 1221400 -2.50866 44.8364 -44.989 44.8363 -8.88818 25.4963 -44.989 25.4963 41.2534 GPRESSAVG: 1221400 -1.95497 44.8014 -45.1268 46.8898 -8.92145 26.2338 -45.2914 25.0307 40.169 TIMING: 1221400 CPU: 3628.78, 0.00296581/step Wall: 3628.78, 0.00296581/step, 3.11295 hours remaining, 207.273438 MB of memory in use. ENERGY: 1221400 747.2793 2077.5559 1942.6923 127.1326 -206179.9905 17692.2050 0.0000 0.0000 34283.2703 -149309.8550 299.4043 -183593.1253 -149213.8711 298.9596 -6.3020 28.9028 555340.1466 9.9522 9.7642 PRESSURE: 1221600 -62.3806 -54.3385 53.9311 -54.3395 -168.687 5.22572 53.9309 5.22555 57.7522 GPRESSURE: 1221600 -47.5083 -12.3711 81.0111 -3.55686 -149.334 46.0131 2.31364 7.76533 122.771 PRESSAVG: 1221600 38.328 17.196 19.7419 17.1959 -28.7543 31.6051 19.742 31.6051 4.8953 GPRESSAVG: 1221600 37.2597 17.2044 18.5155 18.7039 -28.5413 30.467 20.0769 33.2666 5.73765 TIMING: 1221600 CPU: 3629.38, 0.0029814/step Wall: 3629.38, 0.0029814/step, 3.12915 hours remaining, 207.273438 MB of memory in use. ENERGY: 1221600 756.4035 2111.6498 1947.9866 105.4382 -206425.4739 17767.3949 0.0000 0.0000 34553.3951 -149183.2059 301.7634 -183736.6009 -149090.6663 299.4543 -57.7718 -24.6905 556175.7852 4.8230 4.8187 PRESSURE: 1221800 204.842 46.213 -8.02378 46.2122 180.819 -49.7684 -8.02387 -49.7679 299.631 GPRESSURE: 1221800 265.111 10.2554 -9.99545 122.018 183.198 -31.4777 -20.1382 -90.8775 334.896 PRESSAVG: 1221800 -14.0584 32.3184 -5.74031 32.3185 3.99189 16.2641 -5.74028 16.2641 15.9254 GPRESSAVG: 1221800 -13.1487 30.0505 -4.36046 31.3129 3.12091 16.9956 -4.93978 15.6244 16.0048 TIMING: 1221800 CPU: 3629.97, 0.0029609/step Wall: 3629.97, 0.0029609/step, 3.10747 hours remaining, 207.273438 MB of memory in use. ENERGY: 1221800 743.9509 2084.7152 1948.9762 109.3572 -206464.0539 18106.7678 0.0000 0.0000 34332.1503 -149138.1364 299.8312 -183470.2867 -149036.1295 298.9519 228.4307 261.0685 555145.5590 1.9530 1.9924 PRESSURE: 1222000 -145.821 122.727 59.3363 122.725 -89.4173 -20.4277 59.3358 -20.4271 -41.3853 GPRESSURE: 1222000 -144.71 28.5255 2.76781 117.934 -5.87805 -40.4297 83.9074 10.0489 -23.4266 PRESSAVG: 1222000 8.19328 -3.91187 62.0675 -3.91189 2.3216 45.8786 62.0676 45.8786 15.6671 GPRESSAVG: 1222000 8.20304 -1.72336 62.7674 -4.79301 2.19667 46.2736 59.597 44.2832 15.5463 TIMING: 1222000 CPU: 3630.56, 0.00295642/step Wall: 3630.56, 0.00295642/step, 3.1026 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: 1222000 761.8164 2064.1964 1956.3904 117.5045 -206062.2758 17753.0695 0.0000 0.0000 34122.3794 -149286.9192 297.9992 -183409.2986 -149186.2440 299.1665 -92.2080 -58.0050 555973.1586 8.7273 8.6487 PRESSURE: 1222200 -84.2208 2.51594 -116.316 2.51566 -160.585 -2.36243 -116.317 -2.36081 -187.077 GPRESSURE: 1222200 -57.8278 -17.2834 -146.789 41.4482 -180.033 26.5515 -67.1809 43.7596 -96.5145 PRESSAVG: 1222200 5.29378 15.1121 10.6629 15.1121 -45.4685 11.8517 10.6629 11.8519 46.692 GPRESSAVG: 1222200 4.57472 15.7918 11.1767 14.5899 -45.5115 11.6326 11.8031 12.8454 47.1103 TIMING: 1222200 CPU: 3631.15, 0.00295675/step Wall: 3631.15, 0.00295675/step, 3.10278 hours remaining, 207.273438 MB of memory in use. ENERGY: 1222200 715.0320 2102.5076 1956.3950 121.1996 -205874.2772 17504.1607 0.0000 0.0000 34133.3071 -149341.6751 298.0947 -183474.9823 -149243.6425 298.8622 -143.9607 -111.4584 556746.8952 2.1725 2.0579 PRESSURE: 1222400 475.452 -8.0603 108.535 -8.05939 -17.0589 40.355 108.536 40.3553 117.608 GPRESSURE: 1222400 523.109 -27.2623 93.7127 -15.9376 14.2357 47.0805 90.7302 83.5815 133.763 PRESSAVG: 1222400 -7.43469 -16.9338 40.5823 -16.9338 -0.919125 74.1249 40.5825 74.1248 11.234 GPRESSAVG: 1222400 -7.65965 -16.963 37.7597 -17.0616 -0.861973 73.3078 41.6493 73.6579 11.759 TIMING: 1222400 CPU: 3631.75, 0.00295275/step Wall: 3631.75, 0.00295275/step, 3.09842 hours remaining, 207.273438 MB of memory in use. ENERGY: 1222400 738.2997 2066.7215 1957.8378 127.3441 -206452.3792 17941.1212 0.0000 0.0000 34295.6720 -149325.3829 299.5126 -183621.0549 -149231.6773 299.1113 192.0003 223.7026 555266.0957 0.9601 1.0791 PRESSURE: 1222600 48.2567 -131.092 50.942 -131.092 172.714 -47.7606 50.9414 -47.761 -182.332 GPRESSURE: 1222600 76.0547 -111.806 65.2556 -102.818 152.426 -49.4213 39.3867 -36.6257 -95.2677 PRESSAVG: 1222600 55.4361 -22.0676 -8.77389 -22.0675 -29.918 -10.2294 -8.77395 -10.2294 16.0446 GPRESSAVG: 1222600 56.1942 -23.2458 -7.47244 -21.6071 -29.9471 -10.1334 -9.61835 -8.99026 15.4616 TIMING: 1222600 CPU: 3632.34, 0.00296064/step Wall: 3632.34, 0.00296064/step, 3.10653 hours remaining, 207.273438 MB of memory in use. ENERGY: 1222600 733.2390 2035.7442 1954.1594 116.9150 -206019.1261 17764.3594 0.0000 0.0000 34209.9273 -149204.7818 298.7638 -183414.7090 -149115.4750 299.1037 12.8796 44.4044 556592.5216 13.8542 13.9029 PRESSURE: 1222800 72.5453 -53.2223 64.6059 -53.2217 -123.97 -107.032 64.6062 -107.033 -118.137 GPRESSURE: 1222800 146.546 -75.568 95.2464 -54.5836 -111.316 -97.765 -18.9605 -72.6667 -106.007 PRESSAVG: 1222800 -15.847 -45.4299 -25.6858 -45.4299 18.3216 -32.8906 -25.6858 -32.8906 -20.0788 GPRESSAVG: 1222800 -15.1083 -45.3661 -24.4994 -43.478 19.0715 -34.2718 -27.8228 -34.7552 -21.8421 TIMING: 1222800 CPU: 3632.93, 0.00294759/step Wall: 3632.93, 0.00294759/step, 3.09268 hours remaining, 207.273438 MB of memory in use. ENERGY: 1222800 726.8954 2058.8392 1945.2723 104.6718 -206048.2801 17654.2672 0.0000 0.0000 34307.2227 -149251.1116 299.6135 -183558.3343 -149154.5119 298.6919 -56.5204 -23.5924 557588.7647 -5.8681 -5.9596 PRESSURE: 1223000 12.1288 -38.7379 -26.0235 -38.7365 -207.38 10.0931 -26.0235 10.0924 -71.1377 GPRESSURE: 1223000 -17.7437 -86.446 -54.1698 -0.286322 -150.177 -4.44146 -9.02041 10.2365 -1.07057 PRESSAVG: 1223000 -22.5032 -1.8398 -12.3835 -1.83982 3.95606 -7.77099 -12.3835 -7.771 36.1972 GPRESSAVG: 1223000 -23.8767 -2.27548 -12.4218 -2.78782 4.4327 -5.40509 -10.9877 -5.05263 37.3229 TIMING: 1223000 CPU: 3633.52, 0.0029586/step Wall: 3633.52, 0.0029586/step, 3.10406 hours remaining, 207.273438 MB of memory in use. ENERGY: 1223000 723.3423 2096.3616 1941.7957 113.1918 -205395.3856 17377.5809 0.0000 0.0000 34058.1450 -149084.9682 297.4383 -183143.1132 -148991.1972 299.1905 -88.7964 -56.3303 558355.3111 5.8833 5.9596 PRESSURE: 1223200 -355.653 -23.6734 -135.553 -23.6733 -10.2284 -51.6987 -135.554 -51.7001 156.105 GPRESSURE: 1223200 -263.342 -65.6307 -53.6606 31.5628 -7.73887 -86.4772 -209.871 -92.1213 159.284 PRESSAVG: 1223200 -23.1598 -11.4952 -6.32735 -11.4952 8.21089 40.3986 -6.32732 40.3986 44.0152 GPRESSAVG: 1223200 -23.3 -14.6218 -7.44288 -11.0144 8.41105 40.6275 -5.32092 37.6143 44.3377 TIMING: 1223200 CPU: 3634.11, 0.00294943/step Wall: 3634.11, 0.00294943/step, 3.09428 hours remaining, 207.273438 MB of memory in use. ENERGY: 1223200 758.5152 2058.7630 1944.4413 110.4975 -205978.2197 17865.2287 0.0000 0.0000 34034.5575 -149206.2165 297.2323 -183240.7740 -149106.3535 298.5489 -69.9254 -37.2655 556721.6075 9.6888 9.8162 PRESSURE: 1223400 -92.8163 -153.404 113.531 -153.406 -233.871 160.744 113.532 160.742 -114.369 GPRESSURE: 1223400 -15.5479 -174.334 76.6126 -124.337 -206.429 206.97 153.952 113.789 -122.509 PRESSAVG: 1223400 -38.3951 4.79567 4.99467 4.79575 -45.8065 10.3227 4.9946 10.3228 24.7595 GPRESSAVG: 1223400 -37.3293 6.79205 5.64517 4.61467 -46.0529 6.69827 2.50781 12.4062 23.6795 TIMING: 1223400 CPU: 3634.7, 0.00295544/step Wall: 3634.7, 0.00295544/step, 3.10042 hours remaining, 207.273438 MB of memory in use. ENERGY: 1223400 751.7077 2081.8224 1952.2054 113.7031 -206128.9873 17797.1874 0.0000 0.0000 34327.7350 -149104.6263 299.7926 -183432.3613 -149011.9516 299.2629 -147.0187 -114.8287 557759.6496 -19.8140 -19.9009 PRESSURE: 1223600 -289.572 97.8081 71.2524 97.8079 90.4636 -62.3206 71.2528 -62.3218 -77.2964 GPRESSURE: 1223600 -285.531 86.7889 -11.0764 128.962 96.6642 53.9875 119.743 -85.2286 21.1594 PRESSAVG: 1223600 57.2118 -21.6008 32.0389 -21.6008 -78.9078 -25.801 32.0389 -25.8011 26.6622 GPRESSAVG: 1223600 56.5997 -19.4104 31.7979 -25.1152 -79.3928 -23.5086 32.7481 -27.2461 27.406 TIMING: 1223600 CPU: 3635.29, 0.00296947/step Wall: 3635.29, 0.00296947/step, 3.11498 hours remaining, 207.273438 MB of memory in use. ENERGY: 1223600 732.4660 2091.6419 1922.1003 107.5085 -205845.7430 17645.3642 0.0000 0.0000 34062.5876 -149284.0745 297.4770 -183346.6621 -149191.6430 298.9829 -92.1348 -55.9025 558026.4656 1.6554 1.5376 PRESSURE: 1223800 -84.7869 -15.8045 -49.2073 -15.8047 180.808 129.774 -49.208 129.773 29.8539 GPRESSURE: 1223800 -6.14167 84.9097 -62.1616 -10.4491 178.33 169.362 -36.1046 193.82 62.0311 PRESSAVG: 1223800 -67.9537 -0.0952073 -13.0171 -0.0951784 37.9066 29.1618 -13.0172 29.1618 19.3014 GPRESSAVG: 1223800 -68.0978 -1.6123 -12.3263 2.92911 38.6449 28.245 -13.5612 30.5729 18.8238 TIMING: 1223800 CPU: 3635.89, 0.00298975/step Wall: 3635.89, 0.00298975/step, 3.13608 hours remaining, 207.273438 MB of memory in use. ENERGY: 1223800 715.0200 2134.2521 1914.1373 115.8987 -206526.6948 17999.8535 0.0000 0.0000 34298.1272 -149349.4061 299.5341 -183647.5332 -149260.1910 298.9895 41.9585 78.0732 557662.7327 -3.5819 -3.5430 PRESSURE: 1224000 180.852 1.3003 -23.992 1.3003 5.47138 64.344 -23.9919 64.3439 304.295 GPRESSURE: 1224000 159.297 58.7715 -32.2261 -66.0656 80.7651 132.954 -63.2461 -6.01465 342.812 PRESSAVG: 1224000 -6.46044 -24.4725 -51.0287 -24.4725 -17.4759 41.2459 -51.0286 41.2459 14.116 GPRESSAVG: 1224000 -5.41199 -22.7958 -51.4232 -25.4219 -18.0542 42.2802 -49.883 41.5863 13.2109 TIMING: 1224000 CPU: 3636.49, 0.00298096/step Wall: 3636.49, 0.00298096/step, 3.12669 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: 1224000 735.4370 2118.2919 1904.7488 115.2751 -206728.2444 18192.6141 0.0000 0.0000 34385.0775 -149276.8001 300.2934 -183661.8776 -149179.5168 299.2221 163.5397 194.2916 557836.9569 -3.2735 -3.4184 PRESSURE: 1224200 95.9384 -47.0598 91.5181 -47.0586 73.7507 -122.568 91.52 -122.568 248.741 GPRESSURE: 1224200 91.0193 -25.1976 23.6773 15.7012 118.535 -183.585 95.0402 -121.116 304.862 PRESSAVG: 1224200 -12.1451 22.66 0.994959 22.6601 -36.9183 -3.34814 0.994888 -3.34815 23.4142 GPRESSAVG: 1224200 -13.1489 21.4284 -0.859196 24.1202 -36.8383 -4.57741 1.90438 -4.6245 24.0191 TIMING: 1224200 CPU: 3637.09, 0.00300701/step Wall: 3637.09, 0.00300701/step, 3.15385 hours remaining, 207.273438 MB of memory in use. ENERGY: 1224200 719.6613 2093.6400 1926.7436 116.0471 -206711.0371 18192.7481 0.0000 0.0000 34396.2227 -149265.9742 300.3908 -183662.1969 -149174.1570 299.5040 139.4768 171.4722 556886.9334 -8.5497 -8.6560 LDB: ============= START OF LOAD BALANCING ============== 3640.52 LDB: ============== END OF LOAD BALANCING =============== 3640.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3640.52 LDB: ============= START OF LOAD BALANCING ============== 3640.81 LDB: Largest compute 4821 load 0.033066 is 28.0% of average load 0.118094 LDB: Average compute 0.001715 is 1.5% of average load 0.118094 LDB: TIME 3640.82 LOAD: AVG 0.118094 MAX 0.198397 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 3640.82 LOAD: AVG 0.118094 MAX 0.198397 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.219 MB LDB: TIME 3640.82 LOAD: AVG 0.118094 MAX 0.198397 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3640.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3640.82 PRESSURE: 1224400 -71.3305 -74.0965 263.675 -74.0954 -431.449 -111.786 263.677 -111.786 313.081 GPRESSURE: 1224400 -13.2364 0.810605 289.31 -36.6012 -382.165 13.1671 189.241 -144.555 305.743 PRESSAVG: 1224400 2.57637 -4.64448 -13.9849 -4.64439 -18.2842 4.33727 -13.9849 4.33726 18.2138 GPRESSAVG: 1224400 2.57896 -2.73557 -12.6726 -7.46718 -18.1497 4.68137 -15.1434 5.21814 18.4417 TIMING: 1224400 CPU: 3637.69, 0.00302295/step Wall: 3637.69, 0.00302295/step, 3.1704 hours remaining, 206.707031 MB of memory in use. ENERGY: 1224400 724.9717 2073.3970 1942.3458 115.4812 -206098.8811 17718.6362 0.0000 0.0000 34226.3947 -149297.6546 298.9076 -183524.0492 -149202.4325 299.5774 -63.2330 -29.8861 557416.4954 0.8353 0.9570 PRESSURE: 1224600 -250.014 -122.112 10.9849 -122.112 67.1967 14.2742 10.9844 14.2756 -209.714 GPRESSURE: 1224600 -200.728 -115.164 -64.4398 -165.598 122.538 -53.0992 41.0646 -2.10382 -213.715 PRESSAVG: 1224600 -9.45721 -19.3818 -69.8595 -19.3819 -25.6708 -6.9943 -69.8594 -6.99428 8.04951 GPRESSAVG: 1224600 -10.0088 -20.5051 -69.8795 -16.2867 -24.2849 -5.46767 -71.1391 -8.14518 7.4464 TIMING: 1224600 CPU: 3638.29, 0.00299486/step Wall: 3638.29, 0.00299486/step, 3.14078 hours remaining, 206.777344 MB of memory in use. ENERGY: 1224600 761.5437 2120.3318 1944.0105 112.3310 -206166.3369 17649.9814 0.0000 0.0000 34556.1626 -149021.9759 301.7876 -183578.1385 -148919.6006 300.1447 -130.8438 -97.3014 554563.2961 -9.0262 -8.9491 PRESSURE: 1224800 -99.5487 83.4358 -101.734 83.4354 -216.698 -64.638 -101.734 -64.6373 -83.5474 GPRESSURE: 1224800 -93.7675 59.7336 -134.266 63.209 -205.317 -91.6455 -34.5226 -65.4599 -12.4777 PRESSAVG: 1224800 29.3281 -6.68338 -0.212379 -6.68348 -24.1359 -10.4359 -0.212339 -10.4359 3.26276 GPRESSAVG: 1224800 30.0031 -6.13068 -2.3821 -6.12374 -26.1486 -10.9781 1.16449 -10.2849 4.05892 TIMING: 1224800 CPU: 3638.89, 0.0029658/step Wall: 3638.89, 0.0029658/step, 3.11013 hours remaining, 206.777344 MB of memory in use. ENERGY: 1224800 736.7379 2061.3072 1971.3402 130.4437 -205759.4262 17498.8169 0.0000 0.0000 34352.4413 -149008.3389 300.0084 -183360.7802 -148905.8770 299.5519 -133.2648 -103.8540 555364.2740 2.8183 2.6378 PRESSURE: 1225000 -65.3236 115.257 119.159 115.257 7.39537 -188.086 119.159 -188.085 161.683 GPRESSURE: 1225000 -41.8416 92.7448 101.397 132.406 31.7242 -125.716 106.199 -217.417 193.271 PRESSAVG: 1225000 -27.1556 54.5728 -17.3481 54.5729 -31.2302 -4.33326 -17.3483 -4.33333 72.4647 GPRESSAVG: 1225000 -27.1326 54.2952 -14.0767 51.7509 -31.0639 -3.5131 -18.1449 -4.80139 72.4965 TIMING: 1225000 CPU: 3639.48, 0.0029511/step Wall: 3639.48, 0.0029511/step, 3.09455 hours remaining, 206.777344 MB of memory in use. ENERGY: 1225000 717.7069 2089.6675 1966.6277 101.4098 -205875.5397 17691.7762 0.0000 0.0000 34224.4244 -149083.9272 298.8904 -183308.3516 -148981.7120 298.7283 34.5849 61.0511 556668.0056 4.6930 4.7667 PRESSURE: 1225200 -369.091 47.8902 -64.1238 47.8906 -181.063 -46.5729 -64.1238 -46.5732 86.6172 GPRESSURE: 1225200 -269.71 98.0042 -38.2391 -1.38951 -206.406 -94.4774 -99.7564 -22.0733 113.846 PRESSAVG: 1225200 -13.6785 -12.1326 14.2617 -12.1327 -27.9621 -24.1773 14.2617 -24.1773 75.8834 GPRESSAVG: 1225200 -13.8916 -11.4913 11.9795 -11.0921 -27.5704 -24.909 14.7704 -22.8353 74.9956 TIMING: 1225200 CPU: 3640.07, 0.00296571/step Wall: 3640.07, 0.00296571/step, 3.10971 hours remaining, 206.777344 MB of memory in use. ENERGY: 1225200 714.6669 2189.8407 1934.0994 99.4208 -205604.7449 17490.0596 0.0000 0.0000 34138.5204 -149038.1371 298.1402 -183176.6575 -148939.2121 299.4452 -154.5122 -120.7567 556660.6747 11.4143 11.1779 PRESSURE: 1225400 253.543 53.4371 82.9337 53.4372 -127.4 308.496 82.9328 308.497 -79.6632 GPRESSURE: 1225400 295.014 40.7426 66.4957 157.901 -133.297 311.407 125.14 235.018 -17.659 PRESSAVG: 1225400 -35.6884 -6.85375 5.34257 -6.85379 -95.975 -54.6802 5.34247 -54.6803 108.721 GPRESSAVG: 1225400 -35.4664 -6.01303 4.99298 -6.04129 -95.5106 -56.1218 5.60309 -53.5776 108.374 TIMING: 1225400 CPU: 3640.67, 0.00299076/step Wall: 3640.67, 0.00299076/step, 3.13581 hours remaining, 206.777344 MB of memory in use. ENERGY: 1225400 718.5045 2138.6396 1953.0759 110.2383 -206157.8901 17867.7399 0.0000 0.0000 34328.6334 -149041.0586 299.8005 -183369.6920 -148944.4994 299.5578 15.4933 48.0192 557655.9714 -7.6476 -7.5342 PRESSURE: 1225600 -207.552 133.952 1.84151 133.951 117.992 -209.597 1.84171 -209.595 10.3685 GPRESSURE: 1225600 -159.239 140.753 32.5922 124.207 119.874 -160.877 -98.5964 -205.754 54.9357 PRESSAVG: 1225600 -68.8186 7.18706 -2.98504 7.18715 24.254 20.7645 -2.98498 20.7646 34.276 GPRESSAVG: 1225600 -69.0468 6.91202 -2.0724 5.73669 22.5313 23.6433 -2.78272 17.3547 35.7356 TIMING: 1225600 CPU: 3641.27, 0.0030114/step Wall: 3641.27, 0.0030114/step, 3.15728 hours remaining, 206.777344 MB of memory in use. ENERGY: 1225600 750.5803 2096.0454 1958.1527 128.1595 -205752.5144 17662.3625 0.0000 0.0000 34227.2202 -148929.9937 298.9148 -183157.2139 -148836.3180 300.1566 -26.3971 5.1905 558601.1690 -3.4295 -3.5933 PRESSURE: 1225800 249.97 38.2642 172.868 38.2615 143.181 -96.1592 172.869 -96.1579 -24.9536 GPRESSURE: 1225800 267.527 33.3098 109.887 38.2454 230.394 -146.419 139.925 -48.8718 -17.7108 PRESSAVG: 1225800 -14.1155 19.9683 9.90104 19.9683 10.2072 45.267 9.90105 45.2669 -51.9268 GPRESSAVG: 1225800 -12.8564 17.9226 10.5256 21.3083 10.2896 41.2704 10.1498 47.734 -52.6548 TIMING: 1225800 CPU: 3641.87, 0.00299131/step Wall: 3641.87, 0.00299131/step, 3.13605 hours remaining, 206.777344 MB of memory in use. ENERGY: 1225800 706.5623 2051.9528 1953.8651 116.2653 -206287.3133 17845.5434 0.0000 0.0000 34548.4440 -149064.6803 301.7202 -183613.1244 -148960.2598 299.7571 122.7325 160.0701 556913.1146 -18.6117 -18.4072 PRESSURE: 1226000 -103.159 -77.0767 34.985 -77.0775 -18.2833 43.6055 34.9842 43.6055 -84.1874 GPRESSURE: 1226000 -73.6726 -19.7316 -6.45667 -55.1321 -29.6769 44.8462 29.2284 -5.55232 -7.5775 PRESSAVG: 1226000 33.2053 1.55842 6.63568 1.55838 -35.6727 -35.8628 6.63574 -35.8629 0.0704588 GPRESSAVG: 1226000 32.8011 3.54135 8.74353 1.88721 -34.0239 -33.5889 5.02232 -36.1866 -0.599536 TIMING: 1226000 CPU: 3642.46, 0.00297666/step Wall: 3642.46, 0.00297666/step, 3.12053 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: 1226000 724.9606 2064.0860 1944.9303 110.3173 -206133.1638 17799.9143 0.0000 0.0000 34265.5410 -149223.4143 299.2495 -183488.9553 -149119.6718 299.6942 -68.5432 -36.9757 555838.1049 -0.7990 -0.6074 PRESSURE: 1226200 -201.111 -149.374 7.3139 -149.375 -24.8034 -95.2311 7.31499 -95.2306 -129.775 GPRESSURE: 1226200 -180.598 -189.334 34.7173 -84.9394 -6.58584 -42.8303 -34.867 -24.3995 -71.7712 PRESSAVG: 1226200 -23.6657 -62.6368 48.2093 -62.6368 -17.3745 11.3596 48.2093 11.3596 62.9138 GPRESSAVG: 1226200 -25.1301 -63.2433 45.8323 -63.655 -16.9972 11.719 47.7017 11.9237 63.757 TIMING: 1226200 CPU: 3643.06, 0.00297405/step Wall: 3643.06, 0.00297405/step, 3.11764 hours remaining, 206.777344 MB of memory in use. ENERGY: 1226200 735.7966 2121.8067 1924.5237 113.3883 -206020.1104 17710.4823 0.0000 0.0000 34181.0387 -149233.0742 298.5115 -183414.1129 -149140.6505 299.5960 -118.5631 -86.3182 557869.6908 7.2912 7.2099 PRESSURE: 1226400 -99.9228 -13.5162 180.516 -13.517 -324.978 139.34 180.516 139.341 -244.891 GPRESSURE: 1226400 -63.1041 -69.6596 224.985 -44.9498 -291.174 109.356 146.102 96.9509 -216.961 PRESSAVG: 1226400 5.6462 36.2385 43.587 36.2384 -15.1711 3.24696 43.587 3.247 3.34121 GPRESSAVG: 1226400 6.8684 34.3079 43.4753 36.8755 -15.0883 3.13525 45.3778 2.65981 2.06782 TIMING: 1226400 CPU: 3643.65, 0.00297024/step Wall: 3643.65, 0.00297024/step, 3.11347 hours remaining, 206.777344 MB of memory in use. ENERGY: 1226400 709.8443 2112.6230 1940.1640 106.3130 -205972.7178 17524.4473 0.0000 0.0000 34431.0406 -149148.2857 300.6948 -183579.3264 -149048.8347 299.6371 -223.2638 -190.4129 559029.9928 -2.0612 -2.0507 PRESSURE: 1226600 -56.274 -29.233 -123.814 -29.2344 80.8323 -48.3376 -123.815 -48.3363 -166.273 GPRESSURE: 1226600 -4.71139 -46.0521 -121.236 -28.4878 115.359 20.794 -133.206 -71.5831 -150.104 PRESSAVG: 1226600 30.8733 3.98524 48.7356 3.98521 15.0839 -37.3288 48.7357 -37.3289 -38.4327 GPRESSAVG: 1226600 29.2876 6.4778 47.8947 2.8284 14.2522 -36.9996 49.2091 -37.7451 -36.5502 TIMING: 1226600 CPU: 3644.25, 0.00299232/step Wall: 3644.25, 0.00299232/step, 3.13645 hours remaining, 206.777344 MB of memory in use. ENERGY: 1226600 743.4056 2100.7646 1947.8962 132.9057 -206123.8973 17835.4102 0.0000 0.0000 34193.4339 -149170.0811 298.6198 -183363.5151 -149078.4301 299.6548 -47.2382 -13.1520 558752.1905 2.5082 2.3299 PRESSURE: 1226800 30.8234 -158.162 -133.938 -158.161 150.554 -139.337 -133.938 -139.336 -57.2895 GPRESSURE: 1226800 95.6496 -175.258 -103.06 -131.318 175.599 -83.5388 -87.058 -176.729 -55.1072 PRESSAVG: 1226800 12.8132 -85.4851 -12.9932 -85.485 -4.29507 -69.8541 -12.9931 -69.854 -8.3519 GPRESSAVG: 1226800 13.2536 -86.1358 -11.0477 -85.3111 -4.87614 -67.4144 -14.5896 -70.4794 -8.00145 TIMING: 1226800 CPU: 3644.85, 0.00302133/step Wall: 3644.85, 0.00302133/step, 3.16668 hours remaining, 206.777344 MB of memory in use. ENERGY: 1226800 738.5089 2077.5509 1926.3153 105.9305 -206062.2885 17897.6759 0.0000 0.0000 34195.9860 -149120.3210 298.6421 -183316.3071 -149018.2160 299.2783 41.3627 72.0473 558480.8694 0.0554 0.1253 PRESSURE: 1227000 -297.147 -28.8722 -64.3089 -28.8708 -175.306 -79.8216 -64.3085 -79.8208 -218.476 GPRESSURE: 1227000 -280.064 -20.9632 -75.2343 -8.93103 -132.815 -157.043 -121.965 -79.0201 -168.405 PRESSAVG: 1227000 32.3622 -5.93615 -42.1447 -5.93616 -25.5605 -22.3274 -42.1445 -22.3275 -6.12819 GPRESSAVG: 1227000 32.0174 -2.80175 -42.6037 -5.89517 -24.0443 -24.6271 -42.3783 -21.205 -7.86629 TIMING: 1227000 CPU: 3645.45, 0.00299151/step Wall: 3645.45, 0.00299151/step, 3.13527 hours remaining, 206.777344 MB of memory in use. ENERGY: 1227000 723.1936 2141.0553 1918.2983 109.1943 -205663.2185 17513.6836 0.0000 0.0000 34196.3295 -149061.4639 298.6451 -183257.7934 -148959.6987 299.6102 -230.3096 -193.7611 559612.7741 0.2245 0.0356 PRESSURE: 1227200 -0.236785 224.549 -186.436 224.55 194.474 177.814 -186.435 177.811 -13.3148 GPRESSURE: 1227200 60.3919 261.991 -207.139 124.104 134.695 113.802 -160.016 235.171 73.0604 PRESSAVG: 1227200 -14.8377 -17.3751 -55.7767 -17.3751 23.2489 -1.79788 -55.7766 -1.79791 2.16396 GPRESSAVG: 1227200 -14.5231 -20.9342 -55.4915 -16.94 22.2501 -2.2554 -55.7453 -0.222004 3.1168 TIMING: 1227200 CPU: 3646.05, 0.00299692/step Wall: 3646.05, 0.00299692/step, 3.14077 hours remaining, 206.777344 MB of memory in use. ENERGY: 1227200 754.4307 2102.0294 1925.1653 110.0959 -206374.0631 18090.0223 0.0000 0.0000 34368.8673 -149023.4523 300.1519 -183392.3196 -148929.2459 299.3885 60.3073 89.3826 559198.0561 3.5251 3.6146 PRESSURE: 1227400 -299.282 -78.9561 -146.345 -78.9568 -46.8325 -45.965 -146.346 -45.9652 -9.55764 GPRESSURE: 1227400 -250.634 -110.519 -183.675 -75.6831 -17.1741 79.034 -141.704 -115.115 24.25 PRESSAVG: 1227400 11.0488 7.10706 -56.2444 7.10708 -18.2392 15.3372 -56.2444 15.3371 11.8335 GPRESSAVG: 1227400 11.4731 6.37953 -55.3188 7.99777 -18.7692 13.467 -57.2527 14.933 11.3839 TIMING: 1227400 CPU: 3646.65, 0.00296888/step Wall: 3646.65, 0.00296888/step, 3.11123 hours remaining, 206.777344 MB of memory in use. ENERGY: 1227400 760.3251 2057.6419 1948.1615 117.8995 -206058.4251 17822.6057 0.0000 0.0000 34386.4907 -148965.3006 300.3058 -183351.7913 -148861.5681 300.0744 -118.5574 -81.1862 558225.0648 1.5477 1.3626 PRESSURE: 1227600 -120.253 -149.656 12.0377 -149.657 -188.96 -14.0266 12.037 -14.0263 -90.1875 GPRESSURE: 1227600 -66.2693 -102.547 40.9706 -186.454 -196.625 93.9648 -43.4925 -47.2611 -51.1227 PRESSAVG: 1227600 -40.0613 -27.4718 -57.8345 -27.4718 14.4366 -30.3738 -57.8346 -30.3738 23.424 GPRESSAVG: 1227600 -40.7903 -25.6896 -57.3576 -29.1393 15.6453 -28.3313 -57.2319 -31.5158 22.0737 TIMING: 1227600 CPU: 3647.25, 0.00299528/step Wall: 3647.25, 0.00299528/step, 3.13872 hours remaining, 206.777344 MB of memory in use. ENERGY: 1227600 725.3298 2125.1440 1955.8295 107.4451 -205955.7160 17678.9662 0.0000 0.0000 34361.1790 -149001.8225 300.0847 -183363.0015 -148909.2373 300.2517 -133.1336 -104.6725 557447.5651 -0.7336 -1.0238 PRESSURE: 1227800 -31.3981 73.0519 11.3167 73.0514 -101.36 -140.379 11.3172 -140.379 -71.0663 GPRESSURE: 1227800 -39.2435 84.2078 -30.7133 37.5475 -16.2988 -137.068 20.8488 -91.9742 -58.2205 PRESSAVG: 1227800 35.9549 -67.3345 -41.1052 -67.3345 -111.115 -12.1354 -41.1052 -12.1354 65.6611 GPRESSAVG: 1227800 36.039 -70.4953 -44.2093 -65.6537 -111.836 -12.5435 -39.615 -9.31505 66.0983 TIMING: 1227800 CPU: 3647.85, 0.0030371/step Wall: 3647.85, 0.0030371/step, 3.18238 hours remaining, 206.777344 MB of memory in use. ENERGY: 1227800 722.1255 2096.4278 1929.8663 111.8954 -205825.9256 17608.4394 0.0000 0.0000 34269.9846 -149087.1866 299.2883 -183357.1712 -148985.5017 300.0117 -67.9413 -37.9210 559197.3027 -3.1663 -3.2330 PRESSURE: 1228000 36.9624 34.7366 34.3096 34.7348 -20.3748 -76.2137 34.3096 -76.2139 62.3925 GPRESSURE: 1228000 35.2436 141.887 11.2629 -64.0259 22.4061 -168.563 115.087 31.0722 117.88 PRESSAVG: 1228000 -6.68172 -14.4377 16.6741 -14.4378 -9.88671 35.996 16.674 35.996 -2.35351 GPRESSAVG: 1228000 -7.91189 -12.3088 18.0872 -14.4214 -9.98187 34.5847 16.1688 33.8125 -1.63425 TIMING: 1228000 CPU: 3648.45, 0.00296237/step Wall: 3648.45, 0.00296237/step, 3.1039 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: 1228000 716.8418 2108.5484 1912.5743 127.8788 -205777.8106 17685.3471 0.0000 0.0000 34286.0302 -148940.5901 299.4284 -183226.6202 -148840.0390 299.5762 26.3267 58.5099 558062.8695 -6.3073 -6.5093 PRESSURE: 1228200 167.239 293.491 21.8144 293.492 169.246 9.2016 21.8135 9.20147 115.338 GPRESSURE: 1228200 160.641 325.498 27.9638 263.383 258.208 -46.8505 34.2049 50.1099 138.467 PRESSAVG: 1228200 8.6143 31.518 -1.31869 31.518 0.708846 -37.9603 -1.31869 -37.9602 26.1726 GPRESSAVG: 1228200 9.13738 32.4504 -0.387798 31.2472 0.0883306 -36.5553 -1.33345 -39.3647 26.5045 TIMING: 1228200 CPU: 3649.05, 0.00300543/step Wall: 3649.05, 0.00300543/step, 3.14886 hours remaining, 206.777344 MB of memory in use. ENERGY: 1228200 742.0751 2101.2403 1925.9009 121.7666 -206137.7973 18116.8815 0.0000 0.0000 34307.4187 -148822.5140 299.6152 -183129.9328 -148731.4554 300.0157 150.6077 185.7719 558042.6295 11.8319 11.9101 LDB: ============= START OF LOAD BALANCING ============== 3652.47 LDB: ============== END OF LOAD BALANCING =============== 3652.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3652.48 LDB: ============= START OF LOAD BALANCING ============== 3652.78 LDB: Largest compute 4821 load 0.033587 is 28.5% of average load 0.117978 LDB: Average compute 0.001712 is 1.5% of average load 0.117978 LDB: TIME 3652.78 LOAD: AVG 0.117978 MAX 0.201417 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.227 MB LDB: TIME 3652.78 LOAD: AVG 0.117978 MAX 0.201417 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: TIME 3652.78 LOAD: AVG 0.117978 MAX 0.201417 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3652.78 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3652.79 PRESSURE: 1228400 24.5659 15.2124 96.2524 15.2128 -247.85 -115.937 96.2528 -115.936 -622.411 GPRESSURE: 1228400 36.8833 68.7725 -12.6673 -16.9401 -268.831 -177.505 184.403 -124.329 -511.633 PRESSAVG: 1228400 12.4457 -27.4042 -12.5163 -27.4041 19.8287 -46.7679 -12.5163 -46.768 -36.9601 GPRESSAVG: 1228400 13.6663 -27.1362 -11.9214 -28.106 20.0437 -45.8828 -14.2781 -47.5673 -38.0051 TIMING: 1228400 CPU: 3649.66, 0.00304747/step Wall: 3649.66, 0.00304747/step, 3.19273 hours remaining, 205.425781 MB of memory in use. ENERGY: 1228400 779.6924 2135.9265 1930.8593 101.5022 -205796.1910 17431.1861 0.0000 0.0000 34369.0442 -149047.9803 300.1534 -183417.0245 -148950.5862 299.9444 -281.8984 -247.8605 558775.3835 -1.5619 -1.4317 PRESSURE: 1228600 -3.07977 0.459834 -35.7741 0.45917 -28.9963 -182.327 -35.7723 -182.328 32.0269 GPRESSURE: 1228600 30.4009 25.7931 -20.0257 -78.0464 26.2367 -248.478 -80.8856 -130.456 48.8116 PRESSAVG: 1228600 -23.1337 -16.7972 9.65533 -16.7972 -19.32 -24.9873 9.65527 -24.9872 9.46599 GPRESSAVG: 1228600 -24.5398 -18.2841 8.14494 -15.8612 -18.693 -26.0318 11.8339 -23.0101 10.7803 TIMING: 1228600 CPU: 3650.25, 0.00296068/step Wall: 3650.25, 0.00296068/step, 3.10164 hours remaining, 205.425781 MB of memory in use. ENERGY: 1228600 758.5261 2086.8533 1940.7827 119.5167 -206271.2581 17821.9255 0.0000 0.0000 34347.5582 -149196.0956 299.9658 -183543.6538 -149101.5913 299.1693 -0.0164 35.1498 557989.5046 -10.9959 -10.8175 PRESSURE: 1228800 -166.723 -33.1982 -32.5752 -33.1983 -145.455 -119.521 -32.5756 -119.521 -57.435 GPRESSURE: 1228800 -136.287 -47.842 23.9105 -84.8227 -98.343 -192.51 -68.9292 -84.3666 -18.1865 PRESSAVG: 1228800 -13.9078 -12.9789 8.86726 -12.9789 45.7371 -39.5012 8.8673 -39.5011 -26.8471 GPRESSAVG: 1228800 -12.6267 -13.7608 9.79284 -12.9268 45.5613 -38.9249 8.33929 -40.4372 -27.3044 TIMING: 1228800 CPU: 3650.84, 0.00295364/step Wall: 3650.84, 0.00295364/step, 3.0941 hours remaining, 205.425781 MB of memory in use. ENERGY: 1228800 766.6798 2110.8314 1925.3603 130.3512 -206319.8031 17795.9525 0.0000 0.0000 34380.3790 -149210.2488 300.2524 -183590.6278 -149116.9692 299.6144 -123.2043 -84.2723 559747.7970 1.6607 1.8767 PRESSURE: 1229000 -273.858 51.5356 -70.6402 51.5361 -84.567 -28.229 -70.6399 -28.2302 -97.6627 GPRESSURE: 1229000 -215.099 80.5105 -49.5613 42.3969 -113.523 71.4236 -62.6684 -69.3761 -26.6356 PRESSAVG: 1229000 -32.1377 17.5852 54.9939 17.5852 -12.61 7.68564 54.9938 7.68558 39.7736 GPRESSAVG: 1229000 -31.9572 20.8633 55.3708 16.7296 -12.8318 6.69276 54.597 7.17683 40.0537 TIMING: 1229000 CPU: 3651.43, 0.00294797/step Wall: 3651.43, 0.00294797/step, 3.088 hours remaining, 205.425781 MB of memory in use. ENERGY: 1229000 734.9935 2190.5571 1961.6752 106.9454 -205641.7052 17509.5787 0.0000 0.0000 34110.9938 -149026.9615 297.8998 -183137.9553 -148928.9567 299.5435 -152.0294 -118.4195 558672.1879 -1.6580 -1.5784 PRESSURE: 1229200 -90.5492 50.0357 15.9939 50.0363 -174.889 -165.524 15.996 -165.523 32.2526 GPRESSURE: 1229200 -67.9882 93.96 6.42115 -8.97548 -127.591 -184.024 -16.1982 -111.769 58.4927 PRESSAVG: 1229200 -34.4854 -54.5991 42.2777 -54.5991 20.6263 -35.2341 42.2778 -35.2342 84.9299 GPRESSAVG: 1229200 -34.5796 -56.0877 41.5645 -56.2246 20.9703 -36.3928 43.0866 -33.5661 84.7643 TIMING: 1229200 CPU: 3652.02, 0.00294992/step Wall: 3652.02, 0.00294992/step, 3.08988 hours remaining, 205.425781 MB of memory in use. ENERGY: 1229200 779.9486 2135.3015 1928.5865 96.6923 -206088.1402 17739.7963 0.0000 0.0000 34424.9856 -148982.8293 300.6420 -183407.8149 -148884.9439 299.8191 -77.7284 -45.6955 557762.0631 23.6903 23.7183 PRESSURE: 1229400 -130.867 -84.5076 46.3746 -84.5068 58.8442 -147.757 46.3751 -147.756 1.87991 GPRESSURE: 1229400 -94.8966 -58.5195 67.8118 -47.4938 78.7704 -184.14 -6.03319 -202.672 38.0877 PRESSAVG: 1229400 21.134 -42.0313 -28.8461 -42.0313 -0.165291 -39.77 -28.846 -39.77 14.7265 GPRESSAVG: 1229400 21.224 -41.1303 -30.708 -40.2436 -0.623364 -38.9349 -26.7057 -41.398 15.4195 TIMING: 1229400 CPU: 3652.62, 0.0029913/step Wall: 3652.62, 0.0029913/step, 3.13305 hours remaining, 205.425781 MB of memory in use. ENERGY: 1229400 763.5130 2025.6732 1975.5894 113.5355 -206113.0701 17825.5941 0.0000 0.0000 34300.5608 -149108.6042 299.5553 -183409.1650 -149010.0250 300.4100 -23.3808 7.3205 558399.6127 11.8984 12.0067 PRESSURE: 1229600 -85.4319 86.8573 -76.7604 86.8582 20.0716 -61.2234 -76.7603 -61.2236 -13.265 GPRESSURE: 1229600 -53.9054 7.08044 -16.0956 82.0364 85.7131 -37.9044 -54.2135 -111.135 -10.3608 PRESSAVG: 1229600 2.88845 -73.3944 15.4091 -73.3944 5.37487 1.3057 15.4091 1.30573 -29.6001 GPRESSAVG: 1229600 2.70314 -74.5465 17.1928 -75.0471 5.17312 2.58539 13.8211 0.240568 -28.9259 TIMING: 1229600 CPU: 3653.22, 0.00299705/step Wall: 3653.22, 0.00299705/step, 3.13892 hours remaining, 205.425781 MB of memory in use. ENERGY: 1229600 720.2737 2049.5171 1935.5546 112.2155 -205946.1501 17668.1807 0.0000 0.0000 34163.9468 -149296.4617 298.3622 -183460.4085 -149195.8622 299.1254 -26.2084 7.1490 558654.1241 -7.1123 -7.0166 PRESSURE: 1229800 -501.35 -249.301 58.9292 -249.3 63.009 -68.7552 58.929 -68.7547 -141.869 GPRESSURE: 1229800 -366.172 -271.159 43.2434 -161.851 18.5007 -136.318 41.638 -7.52872 -123.101 PRESSAVG: 1229800 -19.899 -71.7193 -6.34212 -71.7194 30.8283 -40.2728 -6.3423 -40.2726 20.4918 GPRESSAVG: 1229800 -18.923 -70.4541 -6.22959 -69.0399 30.7234 -42.8257 -7.89408 -37.6945 19.8105 TIMING: 1229800 CPU: 3653.82, 0.00300493/step Wall: 3653.82, 0.00300493/step, 3.147 hours remaining, 205.425781 MB of memory in use. ENERGY: 1229800 779.4659 2071.1028 1937.8723 112.0550 -205986.1530 17598.7378 0.0000 0.0000 34260.2193 -149226.6998 299.2030 -183486.9191 -149127.4302 299.1364 -193.4032 -156.9243 558008.2427 10.4737 10.5370 PRESSURE: 1230000 -67.7953 115.907 -52.586 115.907 -227.652 -26.9411 -52.5852 -26.941 204.42 GPRESSURE: 1230000 -64.3262 72.4425 -49.8369 127.577 -177.862 -85.5617 27.0852 25.3904 248.014 PRESSAVG: 1230000 1.65637 -70.3508 6.5418 -70.3509 -5.71857 -13.6323 6.54181 -13.6322 -37.549 GPRESSAVG: 1230000 0.442381 -71.4406 5.81959 -70.3902 -3.79155 -14.2494 7.27132 -13.0767 -38.181 TIMING: 1230000 CPU: 3654.42, 0.00299523/step Wall: 3654.42, 0.00299523/step, 3.13668 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: 1230000 748.8212 2108.1407 1965.9652 110.5290 -206250.2585 17855.3767 0.0000 0.0000 34203.1318 -149258.2938 298.7045 -183461.4256 -149154.2622 298.9638 -30.3425 1.9419 558223.1500 -13.8704 -13.8434 PRESSURE: 1230200 -79.7165 -132.283 32.6042 -132.284 -62.4391 76.3135 32.6029 76.3139 -92.3684 GPRESSURE: 1230200 -67.3795 -125.243 19.1752 -59.9529 -18.2619 85.1924 53.0598 82.9305 -47.1453 PRESSAVG: 1230200 -17.0099 47.3153 56.5929 47.3152 -58.3323 18.9623 56.5928 18.9623 65.5246 GPRESSAVG: 1230200 -17.272 45.7725 57.4169 48.6982 -59.1063 20.0501 57.5181 17.6127 66.8237 TIMING: 1230200 CPU: 3655.01, 0.00298609/step Wall: 3655.01, 0.00298609/step, 3.12694 hours remaining, 205.425781 MB of memory in use. ENERGY: 1230200 764.5284 2105.6810 1962.5642 104.3318 -206270.0733 17799.6203 0.0000 0.0000 34210.2411 -149323.1064 298.7665 -183533.3475 -149228.4985 299.5344 -78.1747 -44.2622 557057.0672 -3.2725 -3.1849 PRESSURE: 1230400 58.187 89.1982 -158.761 89.1975 147.991 21.3867 -158.762 21.3876 102.879 GPRESSURE: 1230400 106.42 67.4612 -70.1716 54.6348 222.138 21.1213 -153.309 -25.9869 64.1137 PRESSAVG: 1230400 -1.15036 5.703 -22.6701 5.70304 10.9809 -14.3351 -22.6701 -14.3352 -31.6245 GPRESSAVG: 1230400 -0.781739 7.53724 -23.8037 2.93042 11.8896 -13.1101 -22.5956 -15.7273 -33.0799 TIMING: 1230400 CPU: 3655.61, 0.0029896/step Wall: 3655.61, 0.0029896/step, 3.13045 hours remaining, 205.425781 MB of memory in use. ENERGY: 1230400 752.6860 2147.8594 1981.8493 114.6662 -206375.2766 17832.4397 0.0000 0.0000 34433.9402 -149111.8357 300.7202 -183545.7760 -149009.9724 299.2486 103.0190 130.8904 554168.2173 -7.2647 -7.3240 PRESSURE: 1230600 168.297 -20.6343 -49.9751 -20.635 -226.785 -32.5283 -49.9737 -32.5273 35.8297 GPRESSURE: 1230600 220.136 -58.8706 -38.6323 -23.381 -214.586 -113.378 15.317 43.6865 62.1295 PRESSAVG: 1230600 41.9669 -42.7801 -47.9345 -42.7801 -3.60816 -34.977 -47.9345 -34.977 11.1967 GPRESSAVG: 1230600 43.3032 -43.43 -48.3921 -41.6804 -5.00858 -34.6258 -48.7029 -32.9 11.6299 TIMING: 1230600 CPU: 3656.21, 0.00298384/step Wall: 3656.21, 0.00298384/step, 3.12425 hours remaining, 205.425781 MB of memory in use. ENERGY: 1230600 776.9127 2063.2203 1961.4972 116.2273 -206084.1303 17665.9734 0.0000 0.0000 34285.4986 -149214.8007 299.4238 -183500.2994 -149114.5832 299.7430 -7.5528 22.5598 555849.3253 16.5185 16.6415 PRESSURE: 1230800 -259.999 27.6896 -62.2071 27.6878 -287.072 -26.7696 -62.2074 -26.7711 37.3487 GPRESSURE: 1230800 -236.794 -70.0807 -138.12 3.34627 -250.021 -68.7175 -58.8324 -44.2855 72.8883 PRESSAVG: 1230800 -1.73237 11.0433 -43.8825 11.0433 -84.2501 22.8083 -43.8824 22.8083 64.1507 GPRESSAVG: 1230800 -3.78521 10.8617 -43.2457 11.3883 -83.8643 22.7491 -44.2236 21.9847 66.1016 TIMING: 1230800 CPU: 3656.8, 0.00297762/step Wall: 3656.8, 0.00297762/step, 3.11757 hours remaining, 205.425781 MB of memory in use. ENERGY: 1230800 757.0012 2106.9823 1958.9564 116.1429 -205727.8280 17399.7263 0.0000 0.0000 34155.0736 -149233.9453 298.2848 -183389.0188 -149135.3734 299.1667 -169.9075 -137.9757 557307.5896 -7.2772 -7.1827 PRESSURE: 1231000 223.7 -92.3269 -26.9124 -92.3276 202.142 -87.6905 -26.9127 -87.69 -61.2664 GPRESSURE: 1231000 298.631 -40.226 13.3425 -84.4406 211.438 -97.3932 -100.273 -15.1631 -56.1844 PRESSAVG: 1231000 64.6188 20.3853 0.0233664 20.3852 -4.36515 -4.69439 0.0233326 -4.69441 -41.4794 GPRESSAVG: 1231000 66.0742 19.7829 0.388471 21.0045 -5.72074 -5.85949 -0.693615 -5.9781 -41.631 TIMING: 1231000 CPU: 3657.4, 0.0030086/step Wall: 3657.4, 0.0030086/step, 3.14983 hours remaining, 205.425781 MB of memory in use. ENERGY: 1231000 717.5219 2058.5987 1947.0501 100.8643 -206446.8912 18017.1468 0.0000 0.0000 34343.3865 -149262.3229 299.9293 -183605.7095 -149158.1522 299.2053 121.5255 151.2950 555647.4240 6.2581 6.2408 PRESSURE: 1231200 -192.067 -4.98571 35.8493 -4.98582 -128.742 -160.448 35.8488 -160.448 -150.915 GPRESSURE: 1231200 -196.329 87.5036 29.1753 -44.5672 -134.147 -234.479 63.837 -54.6411 -43.3506 PRESSAVG: 1231200 22.7202 -3.02378 -56.5179 -3.02376 -44.1979 19.0825 -56.5179 19.0824 -27.4287 GPRESSAVG: 1231200 21.9536 -2.52544 -53.5899 -4.84775 -43.0926 19.3613 -56.7682 20.2585 -27.7296 TIMING: 1231200 CPU: 3658, 0.00296472/step Wall: 3658, 0.00296472/step, 3.10373 hours remaining, 205.425781 MB of memory in use. ENERGY: 1231200 745.7352 2078.4176 1954.2077 108.1937 -205758.8014 17630.3293 0.0000 0.0000 34144.2760 -149097.6419 298.1905 -183241.9179 -149003.6873 299.1938 -157.2412 -124.6090 557786.8500 -16.3021 -16.2895 PRESSURE: 1231400 30.3834 -59.1995 46.8322 -59.1996 -196.219 -5.30652 46.8328 -5.30606 -140.404 GPRESSURE: 1231400 108.34 -28.6054 -28.451 -88.5849 -172.567 22.5955 79.0691 20.7761 -145.101 PRESSAVG: 1231400 21.8209 44.345 -5.21012 44.345 -22.2629 37.9431 -5.21 37.9431 -26.466 GPRESSAVG: 1231400 23.0764 44.0613 -10.6586 44.1445 -22.0856 36.4201 -2.1529 38.5044 -27.9557 TIMING: 1231400 CPU: 3658.59, 0.00296608/step Wall: 3658.59, 0.00296608/step, 3.10499 hours remaining, 205.425781 MB of memory in use. ENERGY: 1231400 726.5894 2062.8890 1932.6518 115.4282 -206025.6861 17728.1962 0.0000 0.0000 34190.3102 -149269.6214 298.5925 -183459.9316 -149168.7168 299.0524 -102.0798 -69.7761 558986.1519 -8.9693 -8.9883 PRESSURE: 1231600 -20.6467 35.3449 -230.168 35.3449 -94.6118 222.791 -230.167 222.79 -132.308 GPRESSURE: 1231600 1.89827 -50.0977 -249.336 -56.9562 -108.774 176.059 -145.748 224.107 -47.3477 PRESSAVG: 1231600 50.8708 9.25709 -36.5537 9.25719 -99.7496 44.1665 -36.5538 44.1666 21.9589 GPRESSAVG: 1231600 50.0549 9.06694 -34.3819 9.16812 -99.5033 45.7617 -37.4932 42.9133 21.9408 TIMING: 1231600 CPU: 3659.19, 0.0029845/step Wall: 3659.19, 0.0029845/step, 3.1241 hours remaining, 205.425781 MB of memory in use. ENERGY: 1231600 755.6714 2077.1744 1947.9956 101.8331 -206133.0622 17796.3151 0.0000 0.0000 34374.0575 -149080.0151 300.1972 -183454.0726 -148991.5364 300.0277 -82.5223 -51.4077 556294.8692 -8.9733 -9.1692 PRESSURE: 1231800 -17.8416 195.121 -39.5944 195.122 242.81 -6.16687 -39.5923 -6.16648 -83.5569 GPRESSURE: 1231800 63.3761 63.9101 -74.9361 266.518 190.577 -36.2998 -62.7643 -2.63104 -25.7272 PRESSAVG: 1231800 49.4795 69.0643 0.929551 69.0643 -17.2832 8.0236 0.929537 8.0237 -38.6174 GPRESSAVG: 1231800 50.5672 67.0358 2.87216 68.7258 -19.3817 7.70597 -1.16984 7.54298 -38.1621 TIMING: 1231800 CPU: 3659.78, 0.00298291/step Wall: 3659.78, 0.00298291/step, 3.12228 hours remaining, 205.425781 MB of memory in use. ENERGY: 1231800 775.5038 1993.6077 1969.3191 117.6903 -205769.7782 17814.1690 0.0000 0.0000 34248.2808 -148851.2076 299.0988 -183099.4883 -148753.0451 299.8805 47.1373 76.0753 557748.6136 -2.1404 -2.3255 PRESSURE: 1232000 63.8161 -40.743 -8.56774 -40.7432 -57.0778 -34.7564 -8.56696 -34.7593 -330.992 GPRESSURE: 1232000 36.829 -37.7793 71.7979 18.5407 2.65954 15.4577 -3.37796 -138.2 -264.171 PRESSAVG: 1232000 -2.39254 8.55678 -4.93086 8.55683 89.2101 -36.5337 -4.93094 -36.5338 -79.4468 GPRESSAVG: 1232000 -3.34289 8.90741 -4.41455 8.54125 89.9295 -35.4352 -4.13142 -35.2474 -79.4009 TIMING: 1232000 CPU: 3660.38, 0.0029763/step Wall: 3660.38, 0.0029763/step, 3.11519 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: 1232000 777.9037 2129.5644 1933.5398 116.8585 -205652.4265 17556.8764 0.0000 0.0000 34342.1575 -148795.5262 299.9186 -183137.6837 -148695.2994 300.7847 -108.0845 -74.8943 558092.2138 2.4569 2.3953 PRESSURE: 1232200 -5.63068 -8.38898 -36.6021 -8.38944 11.4809 66.4328 -36.602 66.4318 20.8626 GPRESSURE: 1232200 48.1964 -2.2561 -10.8685 -68.4449 32.489 80.4477 -45.3749 104.506 37.232 PRESSAVG: 1232200 -5.5039 7.32304 -65.2449 7.32301 -1.56113 67.3224 -65.2449 67.3224 -1.38553 GPRESSAVG: 1232200 -4.5672 8.01769 -65.6768 7.68662 -1.98334 67.2714 -65.761 66.3447 -1.70784 TIMING: 1232200 CPU: 3660.97, 0.00297005/step Wall: 3660.97, 0.00297005/step, 3.10849 hours remaining, 205.425781 MB of memory in use. ENERGY: 1232200 782.4159 2117.5101 1975.8318 130.3264 -206234.9277 17964.7138 0.0000 0.0000 34397.1917 -148866.9379 300.3992 -183264.1296 -148773.8130 300.4077 8.9043 39.3058 558725.4118 -2.8169 -2.7528 LDB: ============= START OF LOAD BALANCING ============== 3664.4 LDB: ============== END OF LOAD BALANCING =============== 3664.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3664.4 LDB: ============= START OF LOAD BALANCING ============== 3664.69 LDB: Largest compute 4821 load 0.032061 is 27.2% of average load 0.118037 LDB: Average compute 0.001720 is 1.5% of average load 0.118037 LDB: TIME 3664.7 LOAD: AVG 0.118037 MAX 0.196985 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 3664.7 LOAD: AVG 0.118037 MAX 0.196985 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 3664.7 LOAD: AVG 0.118037 MAX 0.196985 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 3664.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3664.7 PRESSURE: 1232400 121.733 -15.6952 -1.38013 -15.6949 -53.5536 48.1556 -1.38023 48.1554 -94.0123 GPRESSURE: 1232400 82.9972 -30.8272 -45.2674 72.6268 2.67478 46.5279 66.4639 54.6698 -11.5524 PRESSAVG: 1232400 -26.2108 8.55567 19.9454 8.55563 57.3143 -13.7698 19.9453 -13.7698 25.2435 GPRESSAVG: 1232400 -26.414 9.32385 17.5391 7.8882 57.642 -16.1897 21.3313 -13.0825 25.437 TIMING: 1232400 CPU: 3661.57, 0.00300343/step Wall: 3661.57, 0.00300343/step, 3.14325 hours remaining, 206.769531 MB of memory in use. ENERGY: 1232400 734.3467 2118.9658 1982.6031 115.0956 -205904.6126 17700.1747 0.0000 0.0000 34101.4662 -149151.9604 297.8166 -183253.4266 -149058.6039 300.0089 -8.6110 24.7065 557963.1559 18.7823 18.8883 PRESSURE: 1232600 -97.6621 -40.8262 -15.4088 -40.826 331.201 -176.585 -15.4081 -176.585 150.218 GPRESSURE: 1232600 -7.48676 28.8569 67.4823 -7.22241 292.406 -145.15 -85.984 -210.226 181.43 PRESSAVG: 1232600 12.2092 -6.75079 46.5125 -6.75076 -71.7041 -33.26 46.5126 -33.26 33.0975 GPRESSAVG: 1232600 11.9589 -5.98864 48.4988 -7.93977 -72.187 -31.8641 45.8136 -32.7373 33.3808 TIMING: 1232600 CPU: 3662.17, 0.00296296/step Wall: 3662.17, 0.00296296/step, 3.10074 hours remaining, 206.769531 MB of memory in use. ENERGY: 1232600 744.1412 2132.5575 1954.6713 108.2928 -206250.0640 18002.5993 0.0000 0.0000 34133.5127 -149174.2893 298.0965 -183307.8020 -149072.1981 299.4633 127.9189 155.4498 558095.9188 -8.7991 -8.9491 PRESSURE: 1232800 -204.606 -140.57 -212.413 -140.569 -55.9643 -91.9005 -212.414 -91.9011 -20.5069 GPRESSURE: 1232800 -180.869 -24.4197 -209.989 -184.807 20.2828 -100.375 -166.728 -125.947 -24.1726 PRESSAVG: 1232800 -23.9198 -10.8386 35.0785 -10.8386 19.657 -8.97471 35.0785 -8.97479 -20.0949 GPRESSAVG: 1232800 -24.0187 -9.32769 35.4469 -10.103 19.9704 -8.598 35.705 -9.84613 -20.3345 TIMING: 1232800 CPU: 3662.76, 0.00296358/step Wall: 3662.76, 0.00296358/step, 3.10123 hours remaining, 206.769531 MB of memory in use. ENERGY: 1232800 771.4116 2092.6670 1946.7805 110.7250 -206182.9390 17732.1081 0.0000 0.0000 34313.0922 -149216.1545 299.6648 -183529.2468 -149112.3626 299.3998 -93.6924 -61.5862 557706.8112 -8.1193 -8.1276 PRESSURE: 1233000 -71.9508 -129.054 99.9711 -129.055 -207.082 -134.148 99.972 -134.147 -232.119 GPRESSURE: 1233000 -13.4007 -186.404 170.987 -115.854 -178.718 -176.454 27.6276 -6.71534 -220.97 PRESSAVG: 1233000 -1.77528 25.9045 -20.2442 25.9046 -25.1495 -30.288 -20.2441 -30.2879 68.4473 GPRESSAVG: 1233000 -1.18723 22.8291 -21.2306 26.4472 -26.3503 -29.3445 -18.5167 -28.9237 68.722 TIMING: 1233000 CPU: 3663.35, 0.00296411/step Wall: 3663.35, 0.00296411/step, 3.10161 hours remaining, 206.769531 MB of memory in use. ENERGY: 1233000 750.1999 2144.3260 1974.5907 101.9836 -206001.1127 17541.6662 0.0000 0.0000 34223.6710 -149264.6754 298.8838 -183488.3464 -149172.1975 299.3446 -170.3839 -137.6961 556813.5173 13.8408 13.7282 PRESSURE: 1233200 30.8439 -86.6058 199.728 -86.6055 22.9338 16.2832 199.728 16.2828 -79.039 GPRESSURE: 1233200 95.1228 -44.7238 200.916 -53.3104 4.47117 13.3378 204.262 -26.7008 -22.2082 PRESSAVG: 1233200 -11.4394 -2.51205 -29.5904 -2.51206 -1.80501 24.1892 -29.5903 24.1892 17.8551 GPRESSAVG: 1233200 -11.6087 -2.87187 -29.5352 -2.18655 -1.2673 21.6569 -30.7517 24.5597 17.5636 TIMING: 1233200 CPU: 3663.95, 0.00296316/step Wall: 3663.95, 0.00296316/step, 3.10046 hours remaining, 206.769531 MB of memory in use. ENERGY: 1233200 789.6316 2131.3355 1937.8066 102.8718 -206132.9771 17807.2614 0.0000 0.0000 34170.6286 -149193.4415 298.4206 -183364.0702 -149097.5169 299.7625 -8.4204 25.7952 556791.4989 1.5369 1.5625 PRESSURE: 1233400 -21.1928 -134.151 34.3729 -134.151 0.267885 34.2387 34.3742 34.2395 -4.82955 GPRESSURE: 1233400 25.6375 -31.8104 -6.27474 -39.2825 18.041 -26.0612 1.87343 54.1505 28.1183 PRESSAVG: 1233400 65.4827 12.891 50.7797 12.891 -48.6109 -40.9626 50.7797 -40.9626 0.94635 GPRESSAVG: 1233400 66.1538 13.0853 52.4262 12.2908 -48.7433 -39.7615 50.4266 -39.8724 0.517593 TIMING: 1233400 CPU: 3664.54, 0.00295776/step Wall: 3664.54, 0.00295776/step, 3.09464 hours remaining, 206.769531 MB of memory in use. ENERGY: 1233400 758.0295 2141.2296 1938.9540 109.5779 -206412.6775 17939.0921 0.0000 0.0000 34425.0414 -149100.7530 300.6424 -183525.7944 -149004.0749 299.2242 -8.5848 23.9323 557393.1115 5.9394 5.9760 PRESSURE: 1233600 -102.281 -107.591 120.73 -107.591 83.6735 43.1583 120.731 43.1558 130.267 GPRESSURE: 1233600 -89.0494 -175.08 112.067 -129.591 114.131 22.3753 136.091 -23.3619 179.856 PRESSAVG: 1233600 -46.076 -5.2773 8.28079 -5.27716 33.2971 6.72249 8.28082 6.72242 2.13868 GPRESSAVG: 1233600 -46.0619 -5.71556 5.91098 -4.58608 33.0012 7.66834 7.72372 4.06436 2.33775 TIMING: 1233600 CPU: 3665.14, 0.00299965/step Wall: 3665.14, 0.00299965/step, 3.1383 hours remaining, 206.769531 MB of memory in use. ENERGY: 1233600 733.7426 2084.8165 1944.6158 115.5387 -205945.5378 17669.9172 0.0000 0.0000 34284.8184 -149112.0885 299.4178 -183396.9069 -149015.4166 299.8903 37.2198 68.3124 556499.6230 -3.5467 -3.5743 PRESSURE: 1233800 -148.246 139.272 124.234 139.271 -70.8111 22.3723 124.235 22.3733 -97.2665 GPRESSURE: 1233800 -84.9634 142.793 173.072 94.0703 -49.6606 55.4085 46.7112 -20.8324 -95.8294 PRESSAVG: 1233800 46.1652 24.3154 19.3041 24.3154 -1.8337 -50.9429 19.3041 -50.9429 -42.0492 GPRESSAVG: 1233800 45.4428 26.7374 21.66 25.7668 -2.52677 -51.6361 19.2256 -48.6237 -41.2764 TIMING: 1233800 CPU: 3665.73, 0.00298705/step Wall: 3665.73, 0.00298705/step, 3.12496 hours remaining, 206.769531 MB of memory in use. ENERGY: 1233800 765.7440 2063.9771 1995.4074 115.6206 -205589.6635 17396.1252 0.0000 0.0000 34209.3947 -149043.3945 298.7592 -183252.7892 -148941.6545 299.4346 -105.4413 -76.8178 557769.0186 0.7608 0.5465 PRESSURE: 1234000 -45.977 -188.233 -1.58423 -188.233 41.0853 201.112 -1.58565 201.113 145.308 GPRESSURE: 1234000 35.8828 -207.935 50.6373 -111.93 43.1475 258.168 -46.8637 161.972 167.113 PRESSAVG: 1234000 47.0446 -47.5652 12.4514 -47.5652 -8.51468 65.7487 12.4514 65.7489 7.60407 GPRESSAVG: 1234000 47.1812 -48.9742 12.841 -47.0717 -7.35706 65.252 11.1294 65.0249 6.02325 TIMING: 1234000 CPU: 3666.33, 0.00300408/step Wall: 3666.33, 0.00300408/step, 3.1426 hours remaining, 206.769531 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: 1234000 713.5821 2169.2036 1989.0254 109.4265 -206282.2183 17821.1505 0.0000 0.0000 34552.0062 -148927.8239 301.7513 -183479.8302 -148827.0900 299.9811 46.8056 82.0479 557346.6592 15.3780 15.2825 PRESSURE: 1234200 -155.44 5.00918 27.9685 5.00811 82.6349 52.0681 27.9696 52.0692 240.411 GPRESSURE: 1234200 -113.718 2.61143 -18.0724 1.06287 109.345 179.047 9.67573 -122.824 277.467 PRESSAVG: 1234200 -58.2192 -9.23166 -13.3964 -9.23153 5.78437 2.12105 -13.3963 2.12111 61.7991 GPRESSAVG: 1234200 -58.0288 -7.535 -13.3363 -11.6778 5.1412 2.9832 -11.4917 1.17539 62.3842 TIMING: 1234200 CPU: 3666.93, 0.00298276/step Wall: 3666.93, 0.00298276/step, 3.12013 hours remaining, 206.769531 MB of memory in use. ENERGY: 1234200 746.0838 2093.7039 1958.1950 124.1131 -205930.3473 17999.2688 0.0000 0.0000 34179.0192 -148829.9636 298.4939 -183008.9827 -148731.9335 300.4453 55.8684 91.0311 559461.0438 3.1214 3.1655 PRESSURE: 1234400 -67.8732 33.8356 -131.73 33.8359 -301.185 69.1412 -131.731 69.1417 -148.015 GPRESSURE: 1234400 -20.8212 -75.0703 -18.1617 80.962 -278.91 69.4393 -177.591 83.7125 -120.8 PRESSAVG: 1234400 -43.9827 1.14759 -3.86795 1.14754 23.7477 -35.624 -3.86799 -35.6241 17.4686 GPRESSAVG: 1234400 -45.0378 2.03014 -4.11307 2.33689 24.5411 -35.6283 -4.61299 -36.6099 17.0129 TIMING: 1234400 CPU: 3667.53, 0.00296975/step Wall: 3667.53, 0.00296975/step, 3.10635 hours remaining, 206.769531 MB of memory in use. ENERGY: 1234400 775.5988 2054.3982 1945.0869 113.4275 -205769.9590 17511.8851 0.0000 0.0000 34510.4023 -148859.1603 301.3879 -183369.5625 -148759.1343 300.4250 -172.3576 -140.1772 558391.1604 -0.9222 -1.1613 PRESSURE: 1234600 -147.012 211.427 45.1214 211.429 -225.3 30.8619 45.1228 30.8618 157.707 GPRESSURE: 1234600 -100.115 218.841 10.1762 201.283 -214.226 -50.565 75.3758 -28.1567 208.309 PRESSAVG: 1234600 35.7484 -1.8267 -28.2155 -1.82666 -87.1666 25.2138 -28.2153 25.2137 61.5834 GPRESSAVG: 1234600 37.6894 -3.76267 -30.3234 -1.05249 -88.7976 23.7814 -27.2383 27.4913 60.9418 TIMING: 1234600 CPU: 3668.12, 0.00298551/step Wall: 3668.12, 0.00298551/step, 3.12267 hours remaining, 206.769531 MB of memory in use. ENERGY: 1234600 773.6580 2104.5682 1931.3808 112.3632 -205515.5083 17557.3008 0.0000 0.0000 34159.0216 -148877.2159 298.3192 -183036.2375 -148783.6515 301.1557 -71.5352 -35.3442 557923.1080 3.3884 3.2779 PRESSURE: 1234800 26.5656 12.5064 23.5816 12.5067 228.266 31.166 23.5804 31.1663 96.1779 GPRESSURE: 1234800 61.9813 -14.0421 79.1962 28.0952 282.538 62.4424 50.5993 31.6364 108.056 PRESSAVG: 1234800 -40.6195 -20.5656 38.5917 -20.5657 24.5251 -15.5552 38.5918 -15.5552 -7.28934 GPRESSAVG: 1234800 -41.1112 -20.2156 38.9182 -20.5881 24.4518 -13.881 39.2196 -16.0783 -6.87462 TIMING: 1234800 CPU: 3668.72, 0.0029828/step Wall: 3668.72, 0.0029828/step, 3.11968 hours remaining, 206.769531 MB of memory in use. ENERGY: 1234800 719.9610 2085.6341 1928.7202 113.4970 -205777.6620 17771.0962 0.0000 0.0000 34200.8351 -148957.9185 298.6844 -183158.7536 -148861.3493 299.9588 117.0033 150.8583 555886.3068 -7.7946 -7.8447 PRESSURE: 1235000 -111.963 1.52956 -94.3154 1.5279 50.0691 -176.285 -94.3154 -176.286 28.2602 GPRESSURE: 1235000 -103.44 -47.054 -105.385 70.0142 89.8892 -152.759 -69.8581 -143.218 83.5114 PRESSAVG: 1235000 -23.3796 27.629 -6.12166 27.6289 46.9786 -12.0299 -6.12161 -12.0299 11.2739 GPRESSAVG: 1235000 -25.3637 28.2147 -3.84103 26.3612 48.4811 -13.0201 -9.86795 -11.5927 12.2603 TIMING: 1235000 CPU: 3669.31, 0.00296867/step Wall: 3669.31, 0.00296867/step, 3.10474 hours remaining, 206.769531 MB of memory in use. ENERGY: 1235000 725.8852 2060.0146 1921.1170 116.4966 -205857.6539 17731.9066 0.0000 0.0000 34261.6720 -149040.5621 299.2157 -183302.2341 -148937.6133 299.4765 -11.2114 23.3203 556213.6859 11.6243 11.7926 PRESSURE: 1235200 142.756 -31.6471 69.4876 -31.6477 -277.793 -56.2866 69.486 -56.2866 -25.7539 GPRESSURE: 1235200 216.377 -56.6017 24.8788 71.5322 -209.176 -127.32 99.3526 10.523 -53.9216 PRESSAVG: 1235200 55.2593 -55.5606 4.291 -55.5607 -59.5783 52.428 4.29103 52.4279 35.71 GPRESSAVG: 1235200 56.2748 -56.3842 4.62244 -54.0022 -59.2201 51.8799 7.11512 51.7039 33.8306 TIMING: 1235200 CPU: 3669.91, 0.0030082/step Wall: 3669.91, 0.0030082/step, 3.14591 hours remaining, 206.769531 MB of memory in use. ENERGY: 1235200 764.6864 2046.3092 1942.0952 115.9520 -206010.1735 17687.3715 0.0000 0.0000 34356.5279 -149097.2313 300.0441 -183453.7591 -149003.8362 299.4825 -53.5968 -15.5733 556264.6976 10.4636 10.2951 PRESSURE: 1235400 134.145 -94.0931 222.875 -94.094 53.2272 168.991 222.875 168.992 -111.956 GPRESSURE: 1235400 177.281 -89.1806 192.803 -83.998 46.557 174.579 186.02 195.454 -54.1813 PRESSAVG: 1235400 110.243 -10.61 36.5449 -10.6101 -56.1469 16.0308 36.5448 16.0307 -58.9063 GPRESSAVG: 1235400 111.317 -7.8752 35.4616 -12.6301 -58.6051 17.4696 35.9185 15.9793 -58.2007 TIMING: 1235400 CPU: 3670.51, 0.00300157/step Wall: 3670.51, 0.00300157/step, 3.1388 hours remaining, 206.769531 MB of memory in use. ENERGY: 1235400 768.9766 2057.1153 1933.1187 115.8841 -206607.2543 18158.3527 0.0000 0.0000 34469.3252 -149104.4818 301.0292 -183573.8070 -149006.9200 299.3000 25.1389 56.5524 558320.7940 -1.6034 -1.8295 PRESSURE: 1235600 -171.8 -12.5227 -23.8531 -12.5228 -250.654 24.2125 -23.8528 24.2129 -100.759 GPRESSURE: 1235600 -51.7179 50.7595 -45.0522 10.9567 -230.217 6.46724 31.6159 4.03689 -126.899 PRESSAVG: 1235600 -9.2226 10.3783 -24.0227 10.3784 14.7726 29.3564 -24.0226 29.3565 18.393 GPRESSAVG: 1235600 -9.52447 7.89889 -23.9578 12.3014 15.2294 27.003 -24.2686 29.1426 17.9814 TIMING: 1235600 CPU: 3671.11, 0.00299504/step Wall: 3671.11, 0.00299504/step, 3.13182 hours remaining, 206.769531 MB of memory in use. ENERGY: 1235600 762.6883 2061.6940 1971.3084 116.2196 -206040.6558 17665.2635 0.0000 0.0000 34411.4989 -149051.9831 300.5242 -183463.4820 -148953.6778 299.7002 -174.4043 -136.2780 557871.8757 7.9810 7.8954 PRESSURE: 1235800 -166.506 -88.7411 -169.818 -88.7412 -278.863 51.8177 -169.819 51.817 -30.2038 GPRESSURE: 1235800 -206.761 -114.929 -154.018 2.32344 -229.68 33.4627 -173.829 81.2949 58.5811 PRESSAVG: 1235800 -41.6804 -39.1147 8.24397 -39.1147 -97.1109 39.8155 8.24396 39.8155 115.194 GPRESSAVG: 1235800 -42.7205 -38.589 8.08754 -39.6896 -97.6239 41.2751 10.0366 39.0275 116.201 TIMING: 1235800 CPU: 3671.71, 0.00296257/step Wall: 3671.71, 0.00296257/step, 3.09769 hours remaining, 206.769531 MB of memory in use. ENERGY: 1235800 749.5605 2153.1684 1930.4014 113.3295 -205647.8465 17419.3346 0.0000 0.0000 34329.3223 -148952.7298 299.8065 -183282.0521 -148855.2655 299.6139 -158.5241 -125.9531 557068.5568 -7.8657 -8.0478 PRESSURE: 1236000 -169.855 -302.067 -32.6273 -302.066 -28.9146 -100.592 -32.6284 -100.592 -94.2459 GPRESSURE: 1236000 -104.078 -232.768 41.8453 -392.04 -5.22607 -142.957 -77.8021 -59.2156 -73.2582 PRESSAVG: 1236000 21.2764 -33.5726 -13.1718 -33.5727 -23.2875 21.5743 -13.1717 21.5744 -8.03067 GPRESSAVG: 1236000 22.4194 -33.9919 -14.4556 -34.099 -23.0136 19.7037 -13.973 22.3239 -10.0071 TIMING: 1236000 CPU: 3672.3, 0.00298892/step Wall: 3672.3, 0.00298892/step, 3.12508 hours remaining, 206.769531 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: 1236000 781.9335 2115.4539 1935.6918 119.6355 -205969.0200 17628.2745 0.0000 0.0000 34375.1902 -149012.8405 300.2071 -183388.0308 -148919.4648 300.1501 -97.6720 -60.8540 556772.3078 -3.3473 -3.5337 PRESSURE: 1236200 -132.059 175.755 147.302 175.755 27.1267 -73.7464 147.301 -73.7446 256.449 GPRESSURE: 1236200 -125.802 201.942 243.779 131.512 95.798 -130.221 85.6086 -82.8931 293.538 PRESSAVG: 1236200 -28.6829 -3.46836 -13.4444 -3.46831 27.4779 -17.8375 -13.4444 -17.8375 27.5839 GPRESSAVG: 1236200 -29.919 -3.72504 -11.162 -4.66175 27.7353 -17.1123 -14.7215 -17.7701 28.563 TIMING: 1236200 CPU: 3672.91, 0.00301824/step Wall: 3672.91, 0.00301824/step, 3.15557 hours remaining, 206.769531 MB of memory in use. ENERGY: 1236200 755.6586 2064.0426 1951.7076 114.2858 -206109.0519 17843.0649 0.0000 0.0000 34265.2337 -149115.0588 299.2468 -183380.2925 -149024.6270 299.4812 50.5057 87.8447 557426.3262 8.7930 8.7931 LDB: ============= START OF LOAD BALANCING ============== 3676.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3676.34 LDB: =============== DONE WITH MIGRATION ================ 3676.34 LDB: ============= START OF LOAD BALANCING ============== 3676.65 LDB: Largest compute 4821 load 0.031281 is 26.5% of average load 0.118039 LDB: Average compute 0.001712 is 1.5% of average load 0.118039 LDB: TIME 3676.65 LOAD: AVG 0.118039 MAX 0.200954 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.797 MB LDB: TIME 3676.65 LOAD: AVG 0.118039 MAX 0.200954 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 3676.65 LOAD: AVG 0.118039 MAX 0.200954 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: ============== END OF LOAD BALANCING =============== 3676.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3676.65 PRESSURE: 1236400 -49.6216 -23.0451 120.67 -23.0449 -83.6401 30.1424 120.67 30.1415 205.162 GPRESSURE: 1236400 29.6253 27.2933 -11.6137 26.1579 -75.1907 66.6306 101.658 30.595 211.397 PRESSAVG: 1236400 -50.5051 -6.00099 34.0601 -6.00108 -44.5901 -63.0023 34.0601 -63.0021 55.3088 GPRESSAVG: 1236400 -50.1569 -6.27404 33.0855 -3.79265 -45.1107 -61.7118 33.802 -62.1361 55.2667 TIMING: 1236400 CPU: 3673.52, 0.00308315/step Wall: 3673.52, 0.00308315/step, 3.22326 hours remaining, 205.937500 MB of memory in use. ENERGY: 1236400 740.6081 2063.0774 1928.6270 104.7229 -205802.6476 17658.0646 0.0000 0.0000 34185.5964 -149121.9511 298.5513 -183307.5476 -149030.3847 299.3321 23.9667 55.2771 557888.0941 -13.2621 -13.3336 PRESSURE: 1236600 -3.17671 -71.1161 -60.2649 -71.1158 -196.002 103.968 -60.2645 103.97 -299.432 GPRESSURE: 1236600 44.5901 -112.786 -99.1032 -80.3268 -186.921 -14.0448 -33.0952 257.387 -258.892 PRESSAVG: 1236600 52.6767 48.895 35.3738 48.8951 0.143887 -29.1407 35.3737 -29.1407 -4.71737 GPRESSAVG: 1236600 51.8184 51.9132 35.4665 46.5909 1.21693 -28.1971 36.6808 -29.7618 -4.89754 TIMING: 1236600 CPU: 3674.12, 0.00298594/step Wall: 3674.12, 0.00298594/step, 3.12147 hours remaining, 206.140625 MB of memory in use. ENERGY: 1236600 725.1546 2131.0073 1932.4942 108.6895 -205748.4926 17486.8351 0.0000 0.0000 34085.4424 -149278.8695 297.6766 -183364.3119 -149180.2992 299.3205 -166.2033 -133.7411 558154.9168 16.0344 16.0459 PRESSURE: 1236800 2.22466 144.883 -31.2945 144.883 -95.1866 -4.42978 -31.2935 -4.4279 -220.12 GPRESSURE: 1236800 33.9087 134.523 6.99626 88.5124 -66.0024 -58.6763 12.7247 -44.9305 -185.558 PRESSAVG: 1236800 -16.5713 -0.0857917 -10.2926 -0.0858651 1.99297 -2.91372 -10.2925 -2.91369 49.9146 GPRESSAVG: 1236800 -17.3001 -0.455082 -10.5903 0.297106 1.80134 -2.2065 -9.68656 -3.73157 49.763 TIMING: 1236800 CPU: 3674.72, 0.00297646/step Wall: 3674.72, 0.00297646/step, 3.1114 hours remaining, 206.140625 MB of memory in use. ENERGY: 1236800 757.8497 2160.6400 1918.6398 109.4231 -206244.8189 17681.3565 0.0000 0.0000 34250.5444 -149366.3652 299.1185 -183616.9097 -149270.9892 298.0367 -104.3605 -72.5507 556537.5574 11.7788 11.4214 PRESSURE: 1237000 4.54181 -121.886 35.9252 -121.886 -18.3337 74.0782 35.9248 74.0792 34.394 GPRESSURE: 1237000 59.0633 -72.8294 44.5375 -183.349 -27.0241 53.4647 21.2549 134.215 93.9747 PRESSAVG: 1237000 46.6716 11.5562 27.3062 11.5563 -33.3247 4.55608 27.3062 4.55613 2.14438 GPRESSAVG: 1237000 47.6021 11.1461 27.0879 12.4936 -33.4692 3.56854 24.2047 5.38164 1.00292 TIMING: 1237000 CPU: 3675.31, 0.00298326/step Wall: 3675.31, 0.00298326/step, 3.11834 hours remaining, 206.140625 MB of memory in use. ENERGY: 1237000 804.4258 2102.4858 1953.6688 116.4289 -206307.6440 17956.7471 0.0000 0.0000 33983.1686 -149390.7189 296.7835 -183373.8876 -149299.4468 298.3670 6.8674 42.0046 555438.9997 5.1638 5.0453 PRESSURE: 1237200 -167.113 -133.095 129.864 -133.093 -4.64071 -46.5081 129.863 -46.5075 3.30563 GPRESSURE: 1237200 -161.943 -94.3651 127.294 -54.8433 113.348 27.1214 174.19 -20.4071 -21.0748 PRESSAVG: 1237200 13.0016 -73.0177 11.602 -73.0177 26.3924 41.092 11.6019 41.0921 -17.4341 GPRESSAVG: 1237200 13.3588 -74.3441 10.7244 -73.3491 25.6956 42.4306 13.5736 40.8887 -17.5541 TIMING: 1237200 CPU: 3675.92, 0.00301185/step Wall: 3675.92, 0.00301185/step, 3.14805 hours remaining, 206.140625 MB of memory in use. ENERGY: 1237200 703.5051 2126.1912 1945.1719 105.0703 -206274.1941 17667.9659 0.0000 0.0000 34365.9713 -149360.3185 300.1266 -183726.2898 -149261.4359 298.8752 -56.1492 -23.2232 557396.4833 7.3200 7.1668 PRESSURE: 1237400 -88.0715 29.168 27.7068 29.1678 157.036 -23.2865 27.7066 -23.2884 -156.351 GPRESSURE: 1237400 -93.3806 -90.4879 41.4443 141.47 178.832 -21.256 29.3908 -12.0318 -65.2236 PRESSAVG: 1237400 21.5184 -31.818 -4.4431 -31.8182 -21.014 12.9844 -4.4431 12.9844 15.5628 GPRESSAVG: 1237400 19.9222 -30.9245 -4.38419 -32.1209 -21.0985 10.4201 -4.80787 13.4179 17.2963 TIMING: 1237400 CPU: 3676.52, 0.00299668/step Wall: 3676.52, 0.00299668/step, 3.13203 hours remaining, 206.140625 MB of memory in use. ENERGY: 1237400 766.0483 2075.2766 1923.3748 116.2153 -206182.4783 17829.0154 0.0000 0.0000 34092.2246 -149380.3233 297.7359 -183472.5479 -149283.3825 298.8886 -29.1287 6.7425 556657.1830 5.3557 5.3733 PRESSURE: 1237600 76.6182 129.787 203.76 129.787 -96.41 32.4776 203.759 32.4781 -105.634 GPRESSURE: 1237600 104.343 198.26 173.449 155.581 -70.9421 -14.5309 177.229 132.776 -64.9158 PRESSAVG: 1237600 -3.94686 1.1215 24.0949 1.12154 32.6186 50.07 24.0949 50.0701 -40.2854 GPRESSAVG: 1237600 -2.78516 1.83965 24.2016 4.11433 33.0416 51.0204 24.2746 50.2406 -41.7824 TIMING: 1237600 CPU: 3677.11, 0.00297842/step Wall: 3677.11, 0.00297842/step, 3.11278 hours remaining, 206.140625 MB of memory in use. ENERGY: 1237600 745.7795 2080.2958 1943.1980 127.2874 -206028.6944 17692.5389 0.0000 0.0000 33951.2626 -149488.3322 296.5048 -183439.5948 -149387.6981 298.3351 -41.8085 -10.5050 558265.4252 -3.8712 -3.8420 PRESSURE: 1237800 217.563 -39.8682 -51.1193 -39.8694 24.0002 84.9938 -51.1184 84.9921 115.193 GPRESSURE: 1237800 210.576 -80.1437 -36.1758 44.977 89.0892 98.4949 -113.624 148.887 158.813 PRESSAVG: 1237800 -96.1804 -3.54392 -41.6464 -3.54402 7.83616 31.5071 -41.6465 31.507 33.6712 GPRESSAVG: 1237800 -97.1114 -4.78813 -40.4524 -4.91038 8.4701 30.2055 -41.3708 30.8434 33.4705 TIMING: 1237800 CPU: 3677.71, 0.00299501/step Wall: 3677.71, 0.00299501/step, 3.12996 hours remaining, 206.140625 MB of memory in use. ENERGY: 1237800 699.8885 2111.3704 1929.9124 105.3358 -206308.9066 17909.2521 0.0000 0.0000 34072.4161 -149480.7313 297.5629 -183553.1474 -149385.1235 297.8594 118.9188 152.8261 557621.4066 -18.2243 -18.3903 PRESSURE: 1238000 121.207 -11.6773 -145.602 -11.6786 87.0921 -107.363 -145.603 -107.363 89.2184 GPRESSURE: 1238000 162.193 -16.1369 -219.021 36.5224 119.653 -23.9293 -159.239 -113.853 111.025 PRESSAVG: 1238000 28.0798 -34.2005 -77.3511 -34.2004 32.8814 -20.2887 -77.3511 -20.2886 -33.0695 GPRESSAVG: 1238000 28.3508 -34.8389 -75.7166 -33.0934 32.2015 -18.6345 -76.7916 -20.8889 -32.6291 TIMING: 1238000 CPU: 3678.31, 0.00298439/step Wall: 3678.31, 0.00298439/step, 3.11869 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: 1238000 716.1733 2115.7096 1947.9141 112.7696 -206634.4699 17928.8122 0.0000 0.0000 34287.6322 -149525.4590 299.4424 -183813.0911 -149433.4972 297.8787 99.1726 130.9570 557627.5914 9.2972 9.3077 PRESSURE: 1238200 -106.616 96.556 39.1304 96.5572 -281.875 -9.43188 39.1295 -9.43108 -188.115 GPRESSURE: 1238200 -59.9181 20.2099 142.924 35.4872 -240.395 55.7347 41.5457 -37.5351 -179.245 PRESSAVG: 1238200 25.8452 -66.9002 -47.5631 -66.9003 48.8727 -10.4247 -47.5631 -10.4247 -68.7911 GPRESSAVG: 1238200 25.7117 -66.8073 -49.211 -70.405 49.2132 -10.4421 -45.6908 -10.5715 -69.4036 TIMING: 1238200 CPU: 3678.9, 0.0029727/step Wall: 3678.9, 0.0029727/step, 3.10631 hours remaining, 206.140625 MB of memory in use. ENERGY: 1238200 791.8802 2102.7453 1960.7801 108.5897 -206111.2862 17735.6487 0.0000 0.0000 33998.6118 -149413.0304 296.9183 -183411.6421 -149318.8105 298.1758 -192.2018 -159.8526 558021.1601 1.9756 1.8404 PRESSURE: 1238400 56.1546 7.64613 -212.007 7.64724 -54.5967 53.5035 -212.007 53.5032 171.124 GPRESSURE: 1238400 50.5017 -34.8256 -178.354 141.481 15.8588 57.2926 -206.234 24.3918 208.518 PRESSAVG: 1238400 -25.2844 12.6057 -87.9369 12.6059 38.1692 82.6364 -87.9369 82.6364 -8.06052 GPRESSAVG: 1238400 -24.4528 12.3869 -86.986 15.9094 38.3141 80.845 -90.4952 82.4348 -8.96154 TIMING: 1238400 CPU: 3679.5, 0.00297442/step Wall: 3679.5, 0.00297442/step, 3.10794 hours remaining, 206.140625 MB of memory in use. ENERGY: 1238400 761.9018 2119.6307 1910.9005 108.3891 -206423.1669 17910.7512 0.0000 0.0000 34352.0408 -149259.5527 300.0049 -183611.5935 -149166.5993 298.6490 57.5606 91.6261 557088.1882 1.6081 1.6332 PRESSURE: 1238600 -47.3799 32.5027 138.204 32.5032 -22.9992 -105.7 138.204 -105.699 15.0953 GPRESSURE: 1238600 -81.7984 74.4919 142.378 -16.7223 41.3776 -112.89 144.221 -27.2727 82.4795 PRESSAVG: 1238600 -6.32742 -16.5742 -72.6111 -16.5741 -4.14439 -26.4413 -72.6112 -26.4413 -8.51352 GPRESSAVG: 1238600 -6.38394 -13.8771 -72.817 -16.4247 -4.4452 -25.7806 -72.2996 -25.5201 -8.22398 TIMING: 1238600 CPU: 3680.09, 0.00298497/step Wall: 3680.09, 0.00298497/step, 3.1188 hours remaining, 206.140625 MB of memory in use. ENERGY: 1238600 742.0599 2119.2135 1964.5767 105.4108 -206487.5704 17717.2026 0.0000 0.0000 34256.3918 -149582.7152 299.1696 -183839.1070 -149485.1634 298.8140 -18.4279 14.0196 555867.3586 -6.3284 -6.3510 PRESSURE: 1238800 -200.995 -174.19 -150.593 -174.19 -167.974 54.8299 -150.591 54.8302 -102.801 GPRESSURE: 1238800 -203.412 -194.625 -144.768 -142.23 -186.913 112.969 -141.549 -2.84916 10.7418 PRESSAVG: 1238800 4.59126 -4.76189 -0.280147 -4.76191 -20.0576 15.7696 -0.280089 15.7696 18.245 GPRESSAVG: 1238800 3.78733 -6.39848 0.70749 -6.32384 -19.533 17.1639 0.259648 14.2032 19.7354 TIMING: 1238800 CPU: 3680.69, 0.00297837/step Wall: 3680.69, 0.00297837/step, 3.11173 hours remaining, 206.140625 MB of memory in use. ENERGY: 1238800 782.4954 2099.9360 1935.9820 100.9718 -206741.0291 17708.8736 0.0000 0.0000 34392.8489 -149719.9214 300.3613 -184112.7703 -149623.5196 298.9175 -157.2567 -126.5278 555955.2765 0.9262 1.3299 PRESSURE: 1239000 -30.3982 -195.374 8.08523 -195.374 146.485 165.915 8.08468 165.915 137.658 GPRESSURE: 1239000 47.5503 -117.592 30.7162 -229.355 210.836 209.871 2.79804 70.2187 79.6164 PRESSAVG: 1239000 81.2752 -32.2123 -15.3509 -32.2122 -15.1791 -9.38827 -15.3508 -9.3882 7.45338 GPRESSAVG: 1239000 81.8853 -30.5676 -16.5131 -33.1542 -15.405 -9.56843 -15.8183 -8.62895 6.57574 TIMING: 1239000 CPU: 3681.28, 0.00297188/step Wall: 3681.28, 0.00297188/step, 3.10479 hours remaining, 206.140625 MB of memory in use. ENERGY: 1239000 756.0794 2142.7400 1943.0604 112.6083 -206946.0619 17991.4393 0.0000 0.0000 34276.7515 -149723.3830 299.3474 -184000.1345 -149626.9040 298.4227 84.5817 112.6674 555147.4386 24.5165 24.3520 PRESSURE: 1239200 -98.7945 92.6533 -28.922 92.6546 -47.171 26.0876 -28.9217 26.088 -264.384 GPRESSURE: 1239200 -58.8604 81.8442 -15.0195 23.8309 -24.9385 115.223 -75.2654 -5.16475 -227.955 PRESSAVG: 1239200 33.1765 -47.725 6.92857 -47.725 37.7931 66.3343 6.92861 66.3343 -61.1656 GPRESSAVG: 1239200 32.5724 -49.4821 7.07133 -45.8831 38.5971 67.1586 7.26463 65.9492 -61.5638 TIMING: 1239200 CPU: 3681.88, 0.00296574/step Wall: 3681.88, 0.00296574/step, 3.09821 hours remaining, 206.140625 MB of memory in use. ENERGY: 1239200 724.1399 2102.8604 1953.6513 121.0974 -206291.1024 17526.6294 0.0000 0.0000 34013.0512 -149849.6729 297.0444 -183862.7241 -149747.6212 297.9915 -136.7831 -103.9178 555732.6827 3.2680 3.2019 PRESSURE: 1239400 -101.326 -156.612 45.0553 -156.612 74.7997 59.4964 45.0561 59.4957 268.192 GPRESSURE: 1239400 -46.9026 -155.728 47.3164 -185.39 101.895 128.353 55.1938 172.745 288.887 PRESSAVG: 1239400 -86.7135 -39.9804 -12.1935 -39.9805 24.9088 -30.6065 -12.1933 -30.6065 57.5109 GPRESSAVG: 1239400 -86.6158 -38.969 -13.0769 -40.5888 23.6249 -30.2352 -11.5798 -29.9558 59.0566 TIMING: 1239400 CPU: 3682.47, 0.00297084/step Wall: 3682.47, 0.00297084/step, 3.10337 hours remaining, 206.140625 MB of memory in use. ENERGY: 1239400 737.6361 2121.9708 1927.2668 111.3621 -206621.7399 17876.6944 0.0000 0.0000 34154.8297 -149691.9799 298.2826 -183846.8096 -149606.1689 297.4008 80.5550 114.6263 556359.5857 -1.4313 -1.3115 PRESSURE: 1239600 189.54 -101.163 45.4898 -101.164 24.4387 -17.8279 45.4903 -17.8261 -5.62575 GPRESSURE: 1239600 262.553 -70.5673 81.1201 -115.481 36.3271 -53.6871 14.908 24.7385 20.0367 PRESSAVG: 1239600 36.0801 -44.879 84.3192 -44.8791 -85.6795 -11.9863 84.3192 -11.9862 66.3387 GPRESSAVG: 1239600 36.4861 -44.7989 84.568 -46.5196 -84.7803 -12.3477 83.4972 -12.8525 65.1741 TIMING: 1239600 CPU: 3683.07, 0.00301065/step Wall: 3683.07, 0.00301065/step, 3.14479 hours remaining, 206.140625 MB of memory in use. ENERGY: 1239600 743.5723 2090.7390 1940.5989 105.9500 -206517.1864 17942.7179 0.0000 0.0000 34088.2971 -149605.3111 297.7016 -183693.6082 -149503.6194 299.0245 69.4511 106.3055 556255.7250 5.5798 5.6266 PRESSURE: 1239800 -95.0592 134.072 175.537 134.073 -61.1334 -139.846 175.537 -139.848 -14.0673 GPRESSURE: 1239800 -64.4606 105.949 133.513 87.4487 -60.4734 -133.578 131.083 -136.163 40.0623 PRESSAVG: 1239800 70.5192 -17.6629 101.85 -17.6628 -78.3851 -1.3625 101.85 -1.36266 25.3969 GPRESSAVG: 1239800 69.9911 -17.5375 107.105 -15.4896 -78.992 -1.15163 98.2491 -0.885869 26.0122 TIMING: 1239800 CPU: 3683.67, 0.00298002/step Wall: 3683.67, 0.00298002/step, 3.11263 hours remaining, 206.140625 MB of memory in use. ENERGY: 1239800 764.8730 2138.6849 1972.2942 120.9911 -206462.1192 17799.6928 0.0000 0.0000 34230.2037 -149435.3794 298.9409 -183665.5831 -149343.2592 299.0722 -56.7533 -28.2905 557270.6610 5.8437 5.6704 PRESSURE: 1240000 -402.164 121.953 154.624 121.952 -95.6577 21.4856 154.624 21.4875 -137.382 GPRESSURE: 1240000 -371.33 127.858 171.442 55.5596 -67.9451 55.0076 87.4738 25.2006 -111.441 PRESSAVG: 1240000 -8.67094 -5.04766 52.9202 -5.04768 -62.1579 -18.3307 52.9202 -18.3308 20.9469 GPRESSAVG: 1240000 -9.08363 -6.00151 48.454 -5.99104 -61.4392 -19.9522 57.8618 -16.8069 19.9842 TIMING: 1240000 CPU: 3684.26, 0.00297159/step Wall: 3684.26, 0.00297159/step, 3.10366 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: 1240000 759.5958 2187.8214 1953.7613 123.6710 -206133.6214 17608.8528 0.0000 0.0000 34027.3336 -149472.5855 297.1692 -183499.9191 -149381.8634 298.6164 -211.7347 -183.5722 557292.5618 -16.6273 -16.8462 PRESSURE: 1240200 273.084 52.648 70.2176 52.648 38.7175 -96.6289 70.2174 -96.6297 -108.955 GPRESSURE: 1240200 310.531 42.0052 29.7921 79.4163 91.6172 20.8443 123.889 -114.941 -101.263 PRESSAVG: 1240200 -29.7752 3.66991 3.63575 3.66993 28.2737 12.4225 3.63576 12.4225 -12.6255 GPRESSAVG: 1240200 -29.6816 3.50726 3.88664 4.73529 27.0246 12.0078 3.56255 12.1981 -11.6048 TIMING: 1240200 CPU: 3684.85, 0.00295843/step Wall: 3684.85, 0.00295843/step, 3.08975 hours remaining, 206.140625 MB of memory in use. ENERGY: 1240200 776.8266 2155.1512 1942.8828 110.6128 -206620.3369 17997.4415 0.0000 0.0000 34279.3928 -149358.0291 299.3705 -183637.4220 -149266.1894 298.9842 67.6155 100.2951 556214.1438 -4.7090 -4.7539 LDB: ============= START OF LOAD BALANCING ============== 3688.28 LDB: ============== END OF LOAD BALANCING =============== 3688.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3688.28 LDB: ============= START OF LOAD BALANCING ============== 3688.58 LDB: Largest compute 4821 load 0.032479 is 27.5% of average load 0.118088 LDB: Average compute 0.001713 is 1.5% of average load 0.118088 LDB: TIME 3688.59 LOAD: AVG 0.118088 MAX 0.200322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 3688.59 LOAD: AVG 0.118088 MAX 0.200322 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.426 MB LDB: TIME 3688.59 LOAD: AVG 0.118088 MAX 0.200322 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.426 MB LDB: ============== END OF LOAD BALANCING =============== 3688.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3688.59 PRESSURE: 1240400 -5.91276 92.9202 -38.5712 92.9198 106.742 -36.5795 -38.5717 -36.5789 124.97 GPRESSURE: 1240400 75.377 112.353 -39.7373 69.7139 89.4366 63.4132 -26.4318 -71.7188 159.619 PRESSAVG: 1240400 24.9351 6.47357 37.7899 6.47349 32.3016 -52.4748 37.7899 -52.4748 -57.0765 GPRESSAVG: 1240400 25.1339 7.03523 36.7258 6.17553 33.6006 -50.5785 38.0364 -52.5145 -58.3334 TIMING: 1240400 CPU: 3685.46, 0.00303991/step Wall: 3685.46, 0.00303991/step, 3.17468 hours remaining, 205.425781 MB of memory in use. ENERGY: 1240400 743.3605 2083.5675 1946.0753 110.5365 -206675.0289 17863.6403 0.0000 0.0000 34494.0365 -149433.8123 301.2450 -183927.8489 -149328.9533 300.0357 75.2665 108.1441 555571.8634 0.0534 0.1337 PRESSURE: 1240600 -50.6053 65.5644 64.8336 65.5637 -175.828 179.821 64.8329 179.821 46.29 GPRESSURE: 1240600 36.1878 95.5 133.611 5.40325 -125.747 218.354 154.787 142.874 13.6872 PRESSAVG: 1240600 -21.3086 -2.15462 1.65058 -2.15468 25.7784 21.3906 1.65048 21.3907 53.013 GPRESSAVG: 1240600 -20.3327 -0.836088 4.34367 -2.70028 23.9834 18.2645 0.537313 21.6348 53.4522 TIMING: 1240600 CPU: 3686.06, 0.00300353/step Wall: 3686.06, 0.00300353/step, 3.13652 hours remaining, 205.425781 MB of memory in use. ENERGY: 1240600 794.2348 2129.2533 1968.3934 117.7403 -206449.2123 17841.2595 0.0000 0.0000 34220.6667 -149377.6643 298.8576 -183598.3310 -149284.8340 299.5280 -60.0478 -25.2906 556646.3688 19.1609 19.0343 PRESSURE: 1240800 -36.3433 -66.9368 -43.5897 -66.936 4.7646 -23.5232 -43.5902 -23.5236 -161.792 GPRESSURE: 1240800 -67.2316 -50.7374 46.1094 -74.8187 43.7248 2.25654 -151.399 -26.7391 -72.0004 PRESSAVG: 1240800 -6.99579 -18.4771 18.2623 -18.4771 49.5063 19.5442 18.2623 19.5443 -3.16622 GPRESSAVG: 1240800 -7.52195 -20.7209 15.4152 -17.1099 50.4525 20.0263 19.4092 18.8907 -3.596 TIMING: 1240800 CPU: 3686.66, 0.00299575/step Wall: 3686.66, 0.00299576/step, 3.12823 hours remaining, 205.425781 MB of memory in use. ENERGY: 1240800 754.7325 2122.8152 1948.2027 106.4891 -206235.6254 17804.0771 0.0000 0.0000 34121.9079 -149377.4009 297.9951 -183499.3088 -149279.1522 299.5917 -64.4568 -31.8357 557819.1729 13.1148 13.1115 PRESSURE: 1241000 37.4355 10.5667 -18.262 10.5663 -122.972 36.0869 -18.2611 36.0879 29.2289 GPRESSURE: 1241000 58.5233 -7.60734 57.4523 -42.4837 -65.9274 15.6635 -3.96736 30.785 51.3283 PRESSAVG: 1241000 -22.3151 -15.903 -1.30689 -15.903 36.8495 5.07423 -1.30691 5.07418 -4.45891 GPRESSAVG: 1241000 -22.2425 -14.6233 1.25093 -19.4817 37.5443 4.2724 -3.0323 6.09301 -5.01002 TIMING: 1241000 CPU: 3687.26, 0.00299253/step Wall: 3687.26, 0.00299253/step, 3.1247 hours remaining, 205.425781 MB of memory in use. ENERGY: 1241000 804.9892 2093.1258 1964.9292 111.5007 -206512.1626 17986.8381 0.0000 0.0000 34267.6997 -149283.0799 299.2683 -183550.7796 -149187.2489 298.6562 -18.7692 14.6414 557197.0736 3.3585 3.4306 PRESSURE: 1241200 -306.052 38.5828 -167.302 38.5819 -129.214 -12.4429 -167.301 -12.4443 137.472 GPRESSURE: 1241200 -278.514 26.3809 -145.429 95.427 -84.8078 -63.423 -118.941 -37.2449 155.995 PRESSAVG: 1241200 -65.2182 -20.292 19.9298 -20.2919 34.4605 8.67107 19.9299 8.67111 46.7151 GPRESSAVG: 1241200 -65.9264 -18.596 16.662 -18.3209 35.0105 12.4725 21.9687 6.32003 46.8188 TIMING: 1241200 CPU: 3687.86, 0.00300731/step Wall: 3687.86, 0.00300731/step, 3.13996 hours remaining, 205.425781 MB of memory in use. ENERGY: 1241200 777.9755 2160.3258 1963.3278 122.8184 -206258.5904 17650.5101 0.0000 0.0000 34318.7936 -149264.8393 299.7146 -183583.6328 -149170.0730 298.9711 -99.2647 -69.1089 557840.7683 5.3192 5.3009 PRESSURE: 1241400 36.175 -134.526 -38.094 -134.526 -43.6426 -11.9263 -38.0946 -11.928 -89.3552 GPRESSURE: 1241400 53.9733 -118.452 32.8168 -113.699 -22.8514 51.0969 -146.715 -55.9052 -40.0585 PRESSAVG: 1241400 -49.9096 1.75088 -28.4681 1.75095 -8.24158 2.51879 -28.4681 2.51875 47.5663 GPRESSAVG: 1241400 -49.8011 1.32079 -25.6906 0.635607 -8.34127 1.60772 -31.8005 4.1812 48.0609 TIMING: 1241400 CPU: 3688.46, 0.0030084/step Wall: 3688.46, 0.0030084/step, 3.14094 hours remaining, 205.425781 MB of memory in use. ENERGY: 1241400 746.5273 2129.5864 1953.0718 122.0590 -206701.5246 17892.7753 0.0000 0.0000 34417.5179 -149439.9868 300.5767 -183857.5047 -149338.2105 299.5512 -32.2743 -2.9789 558186.8019 -3.5283 -3.3605 PRESSURE: 1241600 14.1511 37.4865 -105.833 37.4872 5.68185 -112.648 -105.834 -112.647 -97.3458 GPRESSURE: 1241600 98.1967 84.8952 -150.256 68.4258 -12.1726 -145.371 -25.7 -22.6307 -76.4047 PRESSAVG: 1241600 -63.1918 -28.2365 -18.1301 -28.2365 2.24171 23.5981 -18.1301 23.5983 -12.2279 GPRESSAVG: 1241600 -62.2159 -28.5415 -18.8417 -24.3233 2.47325 25.3132 -16.7157 23.0635 -13.0595 TIMING: 1241600 CPU: 3689.06, 0.00298541/step Wall: 3689.06, 0.00298541/step, 3.11677 hours remaining, 205.425781 MB of memory in use. ENERGY: 1241600 711.6807 2152.0079 1945.6119 113.6730 -206430.9679 17900.1629 0.0000 0.0000 34253.8827 -149353.9489 299.1477 -183607.8316 -149253.5065 298.8701 -25.8376 3.2065 558434.3299 -24.3926 -24.2674 PRESSURE: 1241800 -137.757 14.8959 9.68617 14.8949 -335.137 16.8545 9.68624 16.854 -76.3659 GPRESSURE: 1241800 -77.8273 -52.8389 10.3504 28.278 -271.927 9.19388 50.6404 27.9 -104.965 PRESSAVG: 1241800 -39.7161 -1.87572 19.4907 -1.8758 1.14807 37.8462 19.4907 37.8462 73.2151 GPRESSAVG: 1241800 -40.4621 -2.47484 20.87 -3.12813 2.26356 35.2997 19.4147 40.1023 73.1365 TIMING: 1241800 CPU: 3689.66, 0.00300039/step Wall: 3689.66, 0.00300039/step, 3.13224 hours remaining, 205.425781 MB of memory in use. ENERGY: 1241800 783.8179 2101.5123 1936.3875 116.2588 -206487.9089 17944.6577 0.0000 0.0000 34171.7770 -149433.4977 298.4306 -183605.2747 -149332.3862 299.1097 -183.0866 -151.5733 558864.4282 11.5490 11.6460 PRESSURE: 1242000 -138.966 -101.903 -54.3295 -101.903 -95.3837 -57.6277 -54.3306 -57.6278 -250.187 GPRESSURE: 1242000 -107.542 -63.7743 -70.4217 -112.989 -92.2819 10.1737 -99.9318 -116.691 -180.101 PRESSAVG: 1242000 25.9291 -3.09028 51.5618 -3.09024 -52.2806 -39.1015 51.5618 -39.1014 -2.10958 GPRESSAVG: 1242000 26.6851 -5.32684 50.4629 -4.39878 -53.166 -39.7612 51.261 -41.284 -1.80614 TIMING: 1242000 CPU: 3690.26, 0.00298539/step Wall: 3690.26, 0.00298539/step, 3.11641 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: 1242000 769.1153 2083.2773 1934.1601 120.1229 -206685.4384 17914.1159 0.0000 0.0000 34344.7809 -149519.8660 299.9415 -183864.6469 -149420.9499 298.8728 -161.5123 -126.6417 556797.6335 -9.4870 -9.4290 PRESSURE: 1242200 37.0052 31.8265 76.9251 31.8261 40.9727 190.446 76.9254 190.447 179.023 GPRESSURE: 1242200 74.7973 99.4444 58.8813 -73.5482 73.73 263.368 107.577 218.339 198.121 PRESSAVG: 1242200 21.7835 -37.6167 41.7169 -37.6168 5.45826 -35.1096 41.7169 -35.1095 -17.4013 GPRESSAVG: 1242200 20.695 -36.344 40.6581 -35.8969 6.79189 -35.7814 42.7298 -34.4304 -17.0858 TIMING: 1242200 CPU: 3690.86, 0.00299023/step Wall: 3690.86, 0.00299023/step, 3.1213 hours remaining, 205.425781 MB of memory in use. ENERGY: 1242200 748.3538 2086.0764 1962.3454 101.0365 -206968.1233 18033.6435 0.0000 0.0000 34507.1371 -149529.5306 301.3594 -184036.6676 -149429.7288 298.7326 85.6669 115.5493 555743.6214 3.2802 3.4670 PRESSURE: 1242400 4.23236 120.905 -29.7721 120.906 66.8949 -3.26371 -29.7726 -3.26392 -41.1087 GPRESSURE: 1242400 76.0342 123.003 -67.1999 148.62 103.951 -58.576 -45.6623 -17.2662 -54.6395 PRESSAVG: 1242400 -13.7155 16.5444 -0.446531 16.5445 73.4447 1.0833 -0.446537 1.08335 -20.1726 GPRESSAVG: 1242400 -12.2994 17.9783 0.319759 15.5953 72.3501 1.11993 0.198188 1.40158 -20.4467 TIMING: 1242400 CPU: 3691.45, 0.00297535/step Wall: 3691.45, 0.00297535/step, 3.1056 hours remaining, 205.425781 MB of memory in use. ENERGY: 1242400 769.0407 2123.8040 1939.2722 118.1858 -206369.9826 17728.0776 0.0000 0.0000 34235.4464 -149456.1559 298.9867 -183691.6023 -149366.2426 298.7335 10.0062 41.7818 555709.3374 13.1855 13.2013 PRESSURE: 1242600 -110.261 -134.886 -179.691 -134.886 -92.689 67.7216 -179.692 67.7221 160.86 GPRESSURE: 1242600 -61.9344 -105.175 -106.724 -107.008 -46.5209 88.3075 -134.103 65.7511 167.712 PRESSAVG: 1242600 -95.9897 27.34 19.7408 27.3401 113.057 -3.86455 19.7408 -3.86457 -22.1339 GPRESSAVG: 1242600 -95.9981 28.8337 18.8266 27.1053 113.5 -3.53124 18.952 -3.12045 -21.9758 TIMING: 1242600 CPU: 3692.05, 0.00297061/step Wall: 3692.05, 0.00297061/step, 3.10049 hours remaining, 205.425781 MB of memory in use. ENERGY: 1242600 743.9613 2100.2013 1949.4406 114.8003 -206440.8372 17862.1224 0.0000 0.0000 34253.9418 -149416.3695 299.1482 -183670.3113 -149320.6395 298.9377 -14.0299 19.7524 555976.4100 -1.6887 -1.4913 PRESSURE: 1242800 -139.797 11.7329 6.47995 11.7341 -46.3695 -21.4638 6.47983 -21.4624 -191.885 GPRESSURE: 1242800 -139.477 -2.96681 -68.9184 32.4329 -13.8533 -4.04576 18.722 -38.4345 -111.276 PRESSAVG: 1242800 49.2404 -10.2912 -11.9265 -10.2912 55.2143 7.63274 -11.9265 7.63286 -76.2816 GPRESSAVG: 1242800 49.4461 -13.1674 -10.3508 -8.967 54.3772 10.0771 -13.7406 6.43679 -76.2723 TIMING: 1242800 CPU: 3692.64, 0.00297031/step Wall: 3692.64, 0.00297031/step, 3.10002 hours remaining, 205.425781 MB of memory in use. ENERGY: 1242800 783.9791 2085.4609 1942.2034 115.8813 -206196.9215 17702.9932 0.0000 0.0000 34271.7490 -149294.6547 299.3037 -183566.4037 -149198.7372 299.1350 -126.0171 -88.2020 556653.2853 9.3911 9.1837 PRESSURE: 1243000 -162.18 -69.3934 7.21855 -69.3945 -135.809 -58.6255 7.21702 -58.6242 -30.2356 GPRESSURE: 1243000 -90.5282 -108.43 31.8129 -12.0381 -135.173 -47.1632 -15.2355 -136.039 -9.2831 PRESSAVG: 1243000 6.31131 -38.0099 50.8117 -38.01 20.5667 35.5511 50.8116 35.5511 -19.8468 GPRESSAVG: 1243000 6.09452 -36.2376 49.4585 -39.3677 21.3891 35.0023 52.5114 36.208 -20.7945 TIMING: 1243000 CPU: 3693.24, 0.00298044/step Wall: 3693.24, 0.00298044/step, 3.11042 hours remaining, 205.425781 MB of memory in use. ENERGY: 1243000 719.0930 2103.2794 1977.3116 113.7924 -206276.9750 17657.3920 0.0000 0.0000 34343.4903 -149362.6162 299.9302 -183706.1065 -149254.9765 299.3911 -109.4083 -78.3281 556433.6688 2.3437 2.2297 PRESSURE: 1243200 46.4723 189.047 -48.0651 189.047 310.97 -30.0007 -48.0656 -29.9989 -107.977 GPRESSURE: 1243200 102.509 112.742 -126.652 222.55 348.001 30.92 18.0271 1.11199 -103.928 PRESSAVG: 1243200 56.7302 55.2722 21.7391 55.2722 -24.4596 22.3235 21.7391 22.3235 -10.9388 GPRESSAVG: 1243200 55.0628 56.3925 21.8626 55.1832 -24.503 22.6822 21.3489 22.24 -9.20028 TIMING: 1243200 CPU: 3693.83, 0.00298229/step Wall: 3693.83, 0.00298229/step, 3.11218 hours remaining, 205.425781 MB of memory in use. ENERGY: 1243200 752.8542 2095.5132 1976.4873 107.0203 -206645.8124 18005.4790 0.0000 0.0000 34235.6661 -149472.7925 298.9886 -183708.4586 -149383.1479 299.2240 83.1550 115.5273 555621.8616 7.1106 7.1198 PRESSURE: 1243400 394.633 8.1934 68.1797 8.19463 129.534 -87.6968 68.181 -87.6981 111.739 GPRESSURE: 1243400 436.704 -31.1978 106.956 -81.3211 181.616 -136.638 58.664 -6.04936 113.558 PRESSAVG: 1243400 32.0805 -5.47594 19.9017 -5.47601 -4.87427 16.3912 19.9017 16.3913 -12.5069 GPRESSAVG: 1243400 34.1407 -6.98038 19.8853 -6.31136 -6.04021 15.8928 20.9356 16.3354 -13.2133 TIMING: 1243400 CPU: 3694.43, 0.00298646/step Wall: 3694.43, 0.00298646/step, 3.11637 hours remaining, 205.425781 MB of memory in use. ENERGY: 1243400 751.7669 2076.3460 1949.4441 113.0168 -206958.7340 18183.1896 0.0000 0.0000 34545.2591 -149339.7114 301.6923 -183884.9705 -149234.2155 299.2396 211.9687 243.9594 555519.8200 4.8998 4.9624 PRESSURE: 1243600 -104.34 -107.34 115.058 -107.34 -3.2892 56.119 115.059 56.1202 -89.9966 GPRESSURE: 1243600 -130.847 -96.2294 100.437 -93.1937 57.875 10.2239 130.775 76.0028 -46.2288 PRESSAVG: 1243600 65.1388 10.5929 -39.6413 10.593 -25.8075 34.2576 -39.6412 34.2576 -73.2436 GPRESSAVG: 1243600 65.0939 12.2039 -39.6275 13.6037 -24.2454 30.4842 -40.0546 35.2774 -74.2181 TIMING: 1243600 CPU: 3695.03, 0.00298504/step Wall: 3695.03, 0.00298504/step, 3.11472 hours remaining, 205.425781 MB of memory in use. ENERGY: 1243600 771.2157 2091.2937 1980.7724 116.9627 -206469.7129 17841.8943 0.0000 0.0000 34260.2663 -149407.3078 299.2034 -183667.5741 -149304.1251 299.2914 -65.8753 -39.7336 557203.9344 -11.3041 -11.1232 PRESSURE: 1243800 1.87039 65.9432 -66.2258 65.943 211.737 149.548 -66.2244 149.546 147.046 GPRESSURE: 1243800 4.65735 113.67 -109.859 -3.62407 246.385 151.521 -141.231 173.801 206.542 PRESSAVG: 1243800 -7.7216 32.6235 -17.1983 32.6235 -23.4498 -6.73755 -17.1983 -6.73751 12.834 GPRESSAVG: 1243800 -8.74431 30.7168 -17.0398 31.6908 -23.0078 -2.71744 -17.0693 -9.11089 13.4938 TIMING: 1243800 CPU: 3695.62, 0.00298256/step Wall: 3695.62, 0.00298256/step, 3.11197 hours remaining, 205.425781 MB of memory in use. ENERGY: 1243800 752.0403 2169.2630 1955.4107 118.7805 -206887.2835 18176.0374 0.0000 0.0000 34116.8966 -149598.8550 297.9513 -183715.7516 -149505.5414 298.1517 120.2179 152.5283 557500.2781 -6.1125 -6.0861 PRESSURE: 1244000 -111.229 64.669 -99.0553 64.6677 72.4085 93.9688 -99.0565 93.9665 87.1077 GPRESSURE: 1244000 -27.0447 33.3655 -109.333 31.5497 8.41389 76.8971 0.925203 87.7765 165.102 PRESSAVG: 1244000 -17.889 -8.83914 -51.2921 -8.83917 -3.92196 20.5811 -51.2921 20.5811 -17.7655 GPRESSAVG: 1244000 -16.6204 -8.93343 -53.1373 -9.6221 -5.18929 16.9179 -50.677 23.1905 -17.7065 TIMING: 1244000 CPU: 3696.22, 0.00300612/step Wall: 3696.22, 0.00300612/step, 3.13639 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: 1244000 776.3064 2086.7433 1938.7742 108.6521 -206487.2063 17948.7501 0.0000 0.0000 34051.4939 -149576.4864 297.3802 -183627.9803 -149486.1048 298.2171 16.0957 48.8238 558357.9824 -13.1922 -13.1721 PRESSURE: 1244200 62.2812 -90.0333 -155.834 -90.0345 2.23921 -37.6545 -155.834 -37.6552 -71.5483 GPRESSURE: 1244200 119.312 -152.477 -119.362 -67.9552 63.3664 -5.07523 -140.782 -34.3712 -90.1752 PRESSAVG: 1244200 -20.7387 -32.7587 7.57563 -32.7588 23.2839 -15.812 7.57558 -15.8121 -3.3527 GPRESSAVG: 1244200 -21.1118 -33.3412 11.6647 -31.3619 22.7985 -12.7657 5.55269 -17.0118 -2.74319 TIMING: 1244200 CPU: 3696.82, 0.00297921/step Wall: 3696.82, 0.00297921/step, 3.10814 hours remaining, 205.425781 MB of memory in use. ENERGY: 1244200 784.7925 2144.2130 1966.3281 109.4702 -206591.2704 17938.6653 0.0000 0.0000 34211.8243 -149435.9772 298.7804 -183647.8014 -149333.4723 298.8682 -2.3427 30.8344 556755.6353 -0.2692 -0.3522 LDB: ============= START OF LOAD BALANCING ============== 3700.25 LDB: ============== END OF LOAD BALANCING =============== 3700.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3700.25 LDB: ============= START OF LOAD BALANCING ============== 3700.55 LDB: Largest compute 4821 load 0.032405 is 27.5% of average load 0.117957 LDB: Average compute 0.001708 is 1.4% of average load 0.117957 LDB: TIME 3700.56 LOAD: AVG 0.117957 MAX 0.199141 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.219 MB LDB: TIME 3700.56 LOAD: AVG 0.117957 MAX 0.199141 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.223 MB LDB: TIME 3700.56 LOAD: AVG 0.117957 MAX 0.199141 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.223 MB LDB: ============== END OF LOAD BALANCING =============== 3700.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3700.56 PRESSURE: 1244400 78.5192 65.7468 -201.142 65.7468 69.2387 -139.713 -201.142 -139.713 79.1189 GPRESSURE: 1244400 155.154 129.895 -217.27 6.45864 95.0638 -77.0487 -150.435 -182.736 78.6664 PRESSAVG: 1244400 41.7122 34.1996 -26.5354 34.1996 -56.2492 -25.5586 -26.5353 -25.5588 50.5567 GPRESSAVG: 1244400 40.9699 36.4076 -26.0445 33.1831 -54.2713 -25.6008 -25.3052 -25.5507 49.4627 TIMING: 1244400 CPU: 3697.43, 0.00306046/step Wall: 3697.43, 0.00306046/step, 3.19274 hours remaining, 206.765625 MB of memory in use. ENERGY: 1244400 721.9139 2113.5555 1969.0296 111.8802 -206425.8777 17888.1823 0.0000 0.0000 34311.6979 -149309.6183 299.6526 -183621.3162 -149210.6283 298.6730 75.6256 109.6280 557118.4287 12.0066 12.0538 PRESSURE: 1244600 -166.376 -57.489 27.7557 -57.4896 -101.365 -54.9407 27.7547 -54.9417 -74.7539 GPRESSURE: 1244600 -163.934 15.0194 -39.4654 -103.025 -28.9012 60.5663 105.141 -78.6968 -55.1051 PRESSAVG: 1244600 -70.2075 -21.6573 16.1868 -21.6574 32.8335 24.7368 16.1868 24.7369 57.7634 GPRESSAVG: 1244600 -68.2806 -21.8793 14.2184 -21.2299 31.5178 21.2849 13.4741 24.9632 57.4583 TIMING: 1244600 CPU: 3698.03, 0.00298018/step Wall: 3698.03, 0.00298018/step, 3.10882 hours remaining, 206.964844 MB of memory in use. ENERGY: 1244600 740.8763 2080.1257 1977.2271 120.8138 -205876.1221 17457.0206 0.0000 0.0000 34237.6322 -149262.4264 299.0058 -183500.0586 -149163.9642 299.4568 -114.1651 -82.6468 558150.1925 6.7965 6.8985 PRESSURE: 1244800 26.2677 -117.355 -54.6407 -117.356 -197.919 -52.1914 -54.6413 -52.1911 -203.885 GPRESSURE: 1244800 54.7353 -77.482 -44.2241 -155.03 -182.462 -137.244 -57.3023 -44.4674 -137.76 PRESSAVG: 1244800 -26.2534 -9.78912 -19.3613 -9.78921 65.3247 -26.261 -19.3613 -26.2609 -8.12188 GPRESSAVG: 1244800 -27.2828 -11.0447 -20.1459 -8.84504 65.5365 -24.5646 -15.9524 -26.9019 -7.28222 TIMING: 1244800 CPU: 3698.62, 0.00298092/step Wall: 3698.62, 0.00298092/step, 3.10943 hours remaining, 206.964844 MB of memory in use. ENERGY: 1244800 753.8219 2087.5398 1963.3958 106.1710 -206112.3039 17747.6878 0.0000 0.0000 34113.4339 -149340.2538 297.9211 -183453.6877 -149236.8946 299.0515 -125.1788 -88.4956 556835.3519 10.3165 10.3238 PRESSURE: 1245000 -10.7236 122.037 -160.141 122.037 14.7207 -112.606 -160.142 -112.606 266.839 GPRESSURE: 1245000 57.5937 60.7881 -176.82 206.155 24.7594 -139.524 -157.363 -84.609 298.875 PRESSAVG: 1245000 31.4444 -15.2013 40.7518 -15.2013 -0.23798 -11.3263 40.7517 -11.3264 30.1759 GPRESSAVG: 1245000 32.8614 -15.6578 41.3703 -15.7912 -0.336424 -12.0158 38.6016 -11.3495 28.9545 TIMING: 1245000 CPU: 3699.22, 0.00298454/step Wall: 3699.22, 0.00298454/step, 3.11304 hours remaining, 206.964844 MB of memory in use. ENERGY: 1245000 731.7101 2113.3047 1964.6787 111.2976 -206205.5693 17995.2783 0.0000 0.0000 34017.0729 -149272.2271 297.0796 -183289.2999 -149170.8225 298.0512 90.2786 127.0759 558162.8076 20.4608 20.4932 PRESSURE: 1245200 35.2327 -115.75 88.8653 -115.75 -75.9149 243.368 88.8653 243.367 166.866 GPRESSURE: 1245200 23.6642 -103.902 38.1853 -145.913 -29.8189 342.885 61.1905 253.055 222.468 PRESSAVG: 1245200 70.3045 -7.06179 38.7404 -7.06184 -35.9662 -10.7107 38.7404 -10.7107 -39.6934 GPRESSAVG: 1245200 69.2074 -6.0942 40.2376 -7.32551 -35.9796 -11.9767 39.0412 -10.8012 -38.3785 TIMING: 1245200 CPU: 3699.82, 0.00299992/step Wall: 3699.82, 0.00299992/step, 3.12891 hours remaining, 206.964844 MB of memory in use. ENERGY: 1245200 766.5600 2164.6258 1957.4034 115.0319 -206302.2751 17960.0113 0.0000 0.0000 34098.7966 -149239.8460 297.7933 -183338.6427 -149146.5707 298.2871 42.0614 72.1046 558669.2902 -1.7850 -1.7169 PRESSURE: 1245400 67.4508 -21.0423 207.709 -21.0414 -118.575 65.358 207.71 65.358 8.74518 GPRESSURE: 1245400 131.534 -61.424 172.129 -10.8145 -91.7962 14.0881 196.82 142.204 19.9699 PRESSAVG: 1245400 61.4176 -37.9949 13.7939 -37.9948 -56.9464 16.5915 13.7939 16.5914 -50.9134 GPRESSAVG: 1245400 61.5542 -38.4904 13.4975 -39.322 -57.0678 16.1502 12.4991 17.7017 -50.7186 TIMING: 1245400 CPU: 3700.42, 0.00297432/step Wall: 3700.42, 0.00297432/step, 3.10205 hours remaining, 206.964844 MB of memory in use. ENERGY: 1245400 760.3026 2114.4164 1950.6185 109.6693 -206563.8498 17942.3100 0.0000 0.0000 34410.1451 -149276.3879 300.5124 -183686.5330 -149171.4778 299.4081 -14.1262 19.9025 556871.3533 -15.4808 -15.4107 PRESSURE: 1245600 191.375 -50.8631 -3.22799 -50.8632 75.0969 -177.793 -3.2295 -177.792 -79.4317 GPRESSURE: 1245600 201.22 -46.3444 -9.09384 29.3315 85.0049 -254.284 -34.5008 -148.255 -2.12711 PRESSAVG: 1245600 32.0697 -16.3291 16.795 -16.3291 -23.8848 -25.7518 16.7949 -25.7517 -1.99137 GPRESSAVG: 1245600 31.9657 -15.9825 17.1985 -15.0108 -24.4774 -23.2105 17.1004 -27.7948 -1.56398 TIMING: 1245600 CPU: 3701.01, 0.0029832/step Wall: 3701.01, 0.0029832/step, 3.11115 hours remaining, 206.964844 MB of memory in use. ENERGY: 1245600 765.7768 2136.4752 1954.7044 113.3777 -206460.1379 17951.2017 0.0000 0.0000 34269.6667 -149268.9355 299.2855 -183538.6022 -149176.9352 299.7631 62.3468 94.6992 556620.9253 2.0645 1.9748 PRESSURE: 1245800 145.923 44.8408 82.1015 44.8396 -87.1923 -155.184 82.1022 -155.184 -47.8937 GPRESSURE: 1245800 188.437 69.7733 48.5426 116.686 -37.2297 -157.791 134.353 -176.465 -50.0908 PRESSAVG: 1245800 58.0332 -33.8181 -3.81377 -33.8182 25.9457 9.65371 -3.81378 9.65358 -83.8711 GPRESSAVG: 1245800 57.9096 -34.693 -4.83586 -33.1836 26.7191 7.94469 -4.794 10.5194 -84.4405 TIMING: 1245800 CPU: 3701.61, 0.00299648/step Wall: 3701.61, 0.00299648/step, 3.12483 hours remaining, 206.964844 MB of memory in use. ENERGY: 1245800 760.0111 2103.5589 1960.3719 112.2586 -206439.2348 17754.9082 0.0000 0.0000 34606.4071 -149141.7190 302.2264 -183748.1261 -149044.9607 299.5905 3.6125 33.7054 555822.2334 0.0359 0.0627 PRESSURE: 1246000 -98.2344 0.404313 156.958 0.403422 73.296 151.545 156.959 151.543 -57.3682 GPRESSURE: 1246000 -80.4002 -137.739 108.689 45.1956 175.497 199.095 160.276 120.416 -70.1966 PRESSAVG: 1246000 38.0562 71.4931 27.9019 71.4931 -7.21997 2.50567 27.9019 2.50563 -18.7925 GPRESSAVG: 1246000 38.4123 70.9398 28.768 70.7653 -7.00818 5.65876 29.4463 0.602463 -19.0106 TIMING: 1246000 CPU: 3702.21, 0.00299498/step Wall: 3702.21, 0.00299498/step, 3.12309 hours remaining, 206.964844 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: 1246000 742.0510 2105.9014 1956.0233 111.7389 -205923.5133 17532.6444 0.0000 0.0000 34382.2289 -149092.9254 300.2686 -183475.1543 -148997.8593 299.4175 -27.4355 8.3002 555701.6204 4.0146 4.1312 PRESSURE: 1246200 -91.7576 128.979 -125.781 128.979 -108.088 -104.806 -125.781 -104.808 -73.3626 GPRESSURE: 1246200 -92.4214 171.788 -128.307 120.822 -99.6834 -127.259 -199.945 -21.0404 20.2608 PRESSAVG: 1246200 30.0267 46.0765 8.28844 46.0764 -53.3381 37.2914 8.28849 37.2915 -21.8175 GPRESSAVG: 1246200 29.7624 46.061 6.9382 45.9917 -53.3339 36.0178 8.14156 38.2693 -21.5905 TIMING: 1246200 CPU: 3702.81, 0.00297529/step Wall: 3702.81, 0.00297529/step, 3.10241 hours remaining, 206.964844 MB of memory in use. ENERGY: 1246200 750.7757 2147.3589 1979.6897 121.8477 -205884.3364 17583.8458 0.0000 0.0000 34299.8425 -149000.9760 299.5491 -183300.8185 -148895.7777 300.2939 -91.0693 -57.2813 556160.7467 -15.0430 -15.0540 PRESSURE: 1246400 3.38596 8.56474 -84.3183 8.56485 -38.5913 -63.2606 -84.3179 -63.2612 102.207 GPRESSURE: 1246400 71.6886 34.9398 -22.1615 81.6663 -71.8727 -47.7268 -128.459 -48.7666 173.909 PRESSAVG: 1246400 -14.6575 12.1919 54.2721 12.1919 -13.04 -40.9161 54.2721 -40.9162 61.6169 GPRESSAVG: 1246400 -14.8988 11.9468 53.7767 12.5455 -13.6119 -40.2147 54.7095 -42.9213 62.8677 TIMING: 1246400 CPU: 3703.4, 0.00299179/step Wall: 3703.4, 0.00299179/step, 3.11944 hours remaining, 206.964844 MB of memory in use. ENERGY: 1246400 719.7909 2180.4464 1962.0156 126.2191 -206353.1400 17707.2423 0.0000 0.0000 34455.1878 -149202.2380 300.9057 -183657.4258 -149116.5703 300.8394 22.3339 57.9082 555063.3043 11.3064 11.4523 PRESSURE: 1246600 -80.4431 1.62253 -165.854 1.62343 -101.229 7.17686 -165.854 7.17685 -165.153 GPRESSURE: 1246600 -84.8651 28.6445 -163.465 37.3464 -76.5855 -105.956 -137.747 162.833 -91.8314 PRESSAVG: 1246600 -13.7782 37.7601 50.6332 37.7601 -97.4849 18.1337 50.6332 18.1337 86.7542 GPRESSAVG: 1246600 -12.8243 37.6504 52.3233 38.7646 -97.3602 16.6576 49.367 18.3238 85.481 TIMING: 1246600 CPU: 3704, 0.00299388/step Wall: 3704, 0.00299388/step, 3.12146 hours remaining, 206.964844 MB of memory in use. ENERGY: 1246600 756.7790 2092.7282 1954.1593 117.8264 -205824.8855 17601.1032 0.0000 0.0000 34146.2019 -149156.0875 298.2073 -183302.2893 -149057.1833 299.4169 -115.6083 -84.4273 557859.4523 -8.1696 -8.2345 PRESSURE: 1246800 141.486 105.316 82.3716 105.316 -54.1004 58.2528 82.3698 58.2528 -149.959 GPRESSURE: 1246800 183.405 81.1447 23.9914 105.165 -14.1104 70.9806 118.127 89.0266 -127.72 PRESSAVG: 1246800 32.0211 55.5916 -27.2824 55.5917 -67.7427 1.83168 -27.2824 1.83167 64.0215 GPRESSAVG: 1246800 31.2323 55.9199 -29.227 53.4775 -67.7273 1.9494 -26.4631 3.01159 64.9998 TIMING: 1246800 CPU: 3704.6, 0.00298166/step Wall: 3704.6, 0.00298166/step, 3.10854 hours remaining, 206.964844 MB of memory in use. ENERGY: 1246800 827.2975 2063.0005 1957.9693 122.9470 -206394.6823 18050.7356 0.0000 0.0000 34181.7745 -149190.9579 298.5179 -183372.7324 -149088.8476 299.2888 -20.8577 13.8582 557638.3916 9.4333 9.5016 PRESSURE: 1247000 -164.431 116.15 95.469 116.15 80.154 -20.1246 95.4698 -20.1248 -80.489 GPRESSURE: 1247000 -116.359 191.633 80.2141 63.4224 94.524 -16.7255 67.1579 -31.1922 -44.1618 PRESSAVG: 1247000 -14.4246 14.135 7.29822 14.135 30.5842 19.3458 7.29832 19.3458 24.1273 GPRESSAVG: 1247000 -14.175 15.1894 6.86375 13.326 30.387 18.9119 7.84206 17.8198 23.7549 TIMING: 1247000 CPU: 3705.2, 0.00298745/step Wall: 3705.2, 0.00298745/step, 3.11441 hours remaining, 206.964844 MB of memory in use. ENERGY: 1247000 733.2303 2155.5927 1957.4405 125.7376 -205917.5015 17636.5375 0.0000 0.0000 34359.7998 -148949.1631 300.0727 -183308.9629 -148855.0619 299.4715 -54.9219 -21.9990 559197.7165 13.4290 13.3223 PRESSURE: 1247200 -158.244 116.621 -145.989 116.622 19.9554 -119.614 -145.989 -119.613 -123.849 GPRESSURE: 1247200 -116.109 38.9235 -160.811 169.735 57.4505 -55.4497 -160.812 -142.301 -95.6162 PRESSAVG: 1247200 9.23823 -20.7643 33.9354 -20.7644 21.4224 -5.74628 33.9353 -5.74644 -21.9261 GPRESSAVG: 1247200 9.57429 -21.6327 34.843 -20.5626 21.3609 -4.10929 33.425 -4.64407 -21.8208 TIMING: 1247200 CPU: 3705.8, 0.0029998/step Wall: 3705.8, 0.0029998/step, 3.12713 hours remaining, 206.964844 MB of memory in use. ENERGY: 1247200 717.3292 2135.3123 1944.2162 115.6357 -205740.5053 17699.2057 0.0000 0.0000 34345.0975 -148783.7086 299.9443 -183128.8061 -148684.2924 300.2082 -87.3794 -51.4250 558908.7085 2.9115 3.0381 PRESSURE: 1247400 -317.86 20.5796 -55.7523 20.5798 -2.28039 -90.2653 -55.7507 -90.2637 -216.963 GPRESSURE: 1247400 -272.142 -42.4602 26.6257 -3.01987 15.3948 -79.3951 -101.241 -134.573 -193.75 PRESSAVG: 1247400 -13.0653 12.3646 -29.6241 12.3646 55.7993 -18.2671 -29.624 -18.2672 -12.9018 GPRESSAVG: 1247400 -13.3268 14.4089 -29.4882 12.5121 55.7098 -19.5024 -29.0765 -17.6097 -12.7562 TIMING: 1247400 CPU: 3706.39, 0.00298363/step Wall: 3706.39, 0.00298363/step, 3.1101 hours remaining, 206.964844 MB of memory in use. ENERGY: 1247400 739.3399 2101.7112 1966.1630 107.8041 -205792.2708 17724.0730 0.0000 0.0000 34472.0783 -148681.1014 301.0532 -183153.1797 -148585.2209 300.6515 -179.0344 -150.1655 559637.3604 9.9440 9.8756 PRESSURE: 1247600 158.145 24.0467 -188.493 24.0472 242.066 -200.102 -188.493 -200.103 -5.83572 GPRESSURE: 1247600 188.48 47.9647 -194.424 74.9397 250.017 -152.664 -227.179 -140.094 52.9399 PRESSAVG: 1247600 -47.2465 7.44274 -21.8361 7.44272 3.08094 56.3689 -21.8361 56.3691 29.369 GPRESSAVG: 1247600 -47.4574 4.5324 -19.8056 8.81183 3.72822 55.2992 -21.8072 56.5029 28.9705 TIMING: 1247600 CPU: 3706.99, 0.00298612/step Wall: 3706.99, 0.00298612/step, 3.11253 hours remaining, 206.964844 MB of memory in use. ENERGY: 1247600 742.6197 2137.0029 1963.5895 107.6732 -205896.7538 18022.6333 0.0000 0.0000 34307.7423 -148615.4929 299.6180 -182923.2352 -148521.8179 300.7254 131.4586 163.8123 560146.2156 -4.9322 -4.9195 PRESSURE: 1247800 -119.463 -34.8998 181.088 -34.9 -103.15 -39.2696 181.088 -39.2703 202.499 GPRESSURE: 1247800 -136.736 -30.2784 304.679 -42.1301 -1.84046 59.733 66.104 -106.098 199.775 PRESSAVG: 1247800 6.47245 -38.1831 -41.0455 -38.1832 6.00074 4.27235 -41.0455 4.27242 33.8937 GPRESSAVG: 1247800 6.66651 -36.3269 -43.4598 -38.1194 5.63984 5.84699 -40.4412 5.14004 33.6177 TIMING: 1247800 CPU: 3707.59, 0.00299734/step Wall: 3707.59, 0.00299734/step, 3.12406 hours remaining, 206.964844 MB of memory in use. ENERGY: 1247800 727.9692 2091.0087 1939.8178 106.0098 -205470.1163 17645.0062 0.0000 0.0000 34432.5764 -148527.7282 300.7083 -182960.3046 -148432.5209 300.9155 -6.7045 20.3995 559518.5960 15.4556 15.3080 PRESSURE: 1248000 -127.562 1.97736 -236.7 1.97799 -198.035 -93.4452 -236.701 -93.4438 -20.6868 GPRESSURE: 1248000 -84.4946 101.251 -228.179 -14.2704 -159.031 -71.2085 -263.687 -99.8095 -9.36614 PRESSAVG: 1248000 -45.5691 23.203 -34.02 23.203 -25.871 -13.5151 -34.0199 -13.5152 76.2702 GPRESSAVG: 1248000 -46.0851 21.1924 -31.6038 23.0913 -25.5986 -14.6093 -35.6168 -15.1785 76.2185 TIMING: 1248000 CPU: 3708.19, 0.00298212/step Wall: 3708.19, 0.00298212/step, 3.10803 hours remaining, 206.964844 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: 1248000 766.8734 2024.3139 1953.2080 115.9083 -205516.1457 17713.9465 0.0000 0.0000 34315.4217 -148626.4739 299.6851 -182941.8956 -148530.4272 300.6568 -115.4279 -84.2971 560608.1578 1.6101 1.5116 PRESSURE: 1248200 -335.242 121.033 -25.5435 121.033 -301.322 -126.17 -25.5438 -126.171 236.104 GPRESSURE: 1248200 -316.166 96.0697 -1.85108 162.657 -268.194 -122.044 -12.3173 -86.1644 286.992 PRESSAVG: 1248200 -79.196 41.5126 -26.5032 41.5125 12.6131 -47.628 -26.5032 -47.6282 87.2297 GPRESSAVG: 1248200 -78.5453 41.897 -29.094 40.8162 12.4969 -48.2609 -24.9074 -47.2698 87.2025 TIMING: 1248200 CPU: 3708.78, 0.00296192/step Wall: 3708.78, 0.00296192/step, 3.08681 hours remaining, 206.964844 MB of memory in use. ENERGY: 1248200 758.1861 2178.1532 1955.7146 116.8312 -205610.4839 17650.1346 0.0000 0.0000 34414.7285 -148536.7357 300.5524 -182951.4641 -148436.0306 300.7067 -133.4866 -99.1226 559461.8780 6.8823 7.0514 LDB: ============= START OF LOAD BALANCING ============== 3712.21 LDB: ============== END OF LOAD BALANCING =============== 3712.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3712.21 LDB: ============= START OF LOAD BALANCING ============== 3712.51 LDB: Largest compute 4821 load 0.032758 is 27.8% of average load 0.118044 LDB: Average compute 0.001717 is 1.5% of average load 0.118044 LDB: TIME 3712.52 LOAD: AVG 0.118044 MAX 0.201288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 3712.52 LOAD: AVG 0.118044 MAX 0.201288 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 3712.52 LOAD: AVG 0.118044 MAX 0.201288 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3712.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3712.52 PRESSURE: 1248400 -25.7595 88.87 -202.137 88.8691 -372.867 16.6727 -202.136 16.6715 58.645 GPRESSURE: 1248400 38.596 182.867 -102.872 42.6492 -318.33 -26.9751 -215.185 84.6082 46.593 PRESSAVG: 1248400 -39.5199 18.015 -33.0317 18.015 -64.5214 -78.7002 -33.0316 -78.7001 96.4187 GPRESSAVG: 1248400 -41.1434 17.179 -32.3187 17.806 -64.2582 -78.5092 -34.8174 -78.7309 98.167 TIMING: 1248400 CPU: 3709.39, 0.00306677/step Wall: 3709.39, 0.00306677/step, 3.19592 hours remaining, 207.218750 MB of memory in use. ENERGY: 1248400 777.5305 2099.3924 1955.9590 116.0082 -205444.5272 17539.6211 0.0000 0.0000 34382.2849 -148573.7311 300.2690 -182956.0161 -148478.8903 301.0614 -113.3273 -77.7137 558810.0042 -2.5409 -2.4115 PRESSURE: 1248600 -315.897 38.8935 -48.4192 38.8929 -6.61261 7.82403 -48.4184 7.82257 -296.21 GPRESSURE: 1248600 -289.676 42.8717 -67.1637 38.455 -20.6234 -23.6734 -10.2117 31.2395 -211.31 PRESSAVG: 1248600 -24.7305 -29.1616 -42.3855 -29.1616 29.3781 -12.7665 -42.3855 -12.7666 1.42592 GPRESSAVG: 1248600 -24.1065 -29.4662 -41.4888 -30.4574 27.5834 -12.1513 -41.9307 -11.8402 2.18367 TIMING: 1248600 CPU: 3709.99, 0.00299572/step Wall: 3709.99, 0.00299572/step, 3.12171 hours remaining, 207.218750 MB of memory in use. ENERGY: 1248600 769.8377 2134.3127 1913.9684 117.7414 -205510.7467 17425.9500 0.0000 0.0000 34546.2858 -148602.6506 301.7013 -183148.9364 -148506.9149 300.8817 -206.2397 -173.8700 559122.1364 2.0245 1.8869 PRESSURE: 1248800 72.9917 -113.548 -100.56 -113.547 80.0156 84.7224 -100.56 84.7224 224.032 GPRESSURE: 1248800 82.5207 -57.9538 -13.4052 -146.556 159.15 136.183 -141.505 13.4157 253.889 PRESSAVG: 1248800 -32.803 -14.0784 -16.4233 -14.0784 66.1708 2.98571 -16.4233 2.98576 -1.94534 GPRESSAVG: 1248800 -32.6925 -14.9528 -16.1168 -11.6355 67.4284 3.9251 -16.6654 2.23486 -3.48991 TIMING: 1248800 CPU: 3710.59, 0.00300872/step Wall: 3710.59, 0.00300872/step, 3.13509 hours remaining, 207.218750 MB of memory in use. ENERGY: 1248800 728.2114 2097.2322 1947.0435 104.4218 -205727.0881 17890.6051 0.0000 0.0000 34232.9721 -148726.6019 298.9651 -182959.5741 -148631.3960 300.6005 125.6796 165.1865 558369.8594 10.4741 10.4153 PRESSURE: 1249000 -58.9385 -126.091 -71.2666 -126.091 -53.1238 -17.6628 -71.2668 -17.6618 -275.207 GPRESSURE: 1249000 -92.9081 -161.723 -31.1305 -59.2895 -9.47871 -44.5892 -75.4158 3.66832 -185.345 PRESSAVG: 1249000 9.19528 12.1984 9.21879 12.1983 20.6214 -9.81409 9.21882 -9.81395 8.28507 GPRESSAVG: 1249000 9.47612 11.5231 9.563 10.4245 19.6282 -11.0929 8.54715 -10.9008 8.35528 TIMING: 1249000 CPU: 3711.19, 0.00300568/step Wall: 3711.19, 0.00300568/step, 3.13175 hours remaining, 207.218750 MB of memory in use. ENERGY: 1249000 757.5695 2132.3015 1952.3245 106.7087 -205849.1947 17697.2272 0.0000 0.0000 34376.7060 -148826.3574 300.2203 -183203.0634 -148730.1386 299.7602 -129.0896 -95.9106 559336.9036 12.7006 12.4865 PRESSURE: 1249200 172.386 -1.56275 47.3205 -1.56364 59.4647 -147.104 47.3206 -147.105 -4.92264 GPRESSURE: 1249200 198.054 22.0988 -20.8053 -52.8385 124.178 -40.8458 139.736 -187.938 -12.9178 PRESSAVG: 1249200 -43.6684 -20.1896 40.9046 -20.1895 31.786 32.0464 40.9046 32.0464 -7.20229 GPRESSAVG: 1249200 -42.8545 -18.2539 39.4944 -21.7371 32.1035 33.2322 43.2406 32.6777 -7.97371 TIMING: 1249200 CPU: 3711.79, 0.00298894/step Wall: 3711.79, 0.00298894/step, 3.11414 hours remaining, 207.218750 MB of memory in use. ENERGY: 1249200 703.4451 2084.0162 1951.4473 121.5235 -205728.5296 17691.2847 0.0000 0.0000 34330.8247 -148845.9882 299.8196 -183176.8129 -148742.8029 300.0467 75.6426 103.1050 558184.7392 -6.3616 -6.2415 PRESSURE: 1249400 47.6591 -85.1211 -34.8814 -85.1183 10.0665 -270.361 -34.8812 -270.362 103.079 GPRESSURE: 1249400 130.507 -154.835 -19.2059 -48.949 17.5736 -283.604 -106.913 -193.045 114.876 PRESSAVG: 1249400 82.5776 -37.372 19.4092 -37.3719 7.58657 2.00526 19.4092 2.0052 -71.6983 GPRESSAVG: 1249400 82.2309 -37.169 20.6078 -35.4948 7.33181 0.68029 16.7525 2.35925 -71.6163 TIMING: 1249400 CPU: 3712.39, 0.00299596/step Wall: 3712.39, 0.00299596/step, 3.12129 hours remaining, 207.218750 MB of memory in use. ENERGY: 1249400 725.3238 2086.8742 1944.7138 110.0983 -205881.4169 17869.3846 0.0000 0.0000 34186.1973 -148958.8249 298.5566 -183145.0221 -148859.5653 299.4264 53.6014 87.6524 559071.9411 6.1553 5.9822 PRESSURE: 1249600 -182.783 38.1594 -113.119 38.1591 -59.7067 121.956 -113.12 121.956 12.0765 GPRESSURE: 1249600 -162.116 92.4179 -96.4843 -30.6635 -4.31732 -9.82345 -171.161 137.203 33.3498 PRESSAVG: 1249600 22.275 -29.8149 -57.5999 -29.8149 -47.2351 4.34701 -57.6 4.34709 22.9507 GPRESSAVG: 1249600 21.5942 -27.7023 -59.3421 -32.3988 -46.2677 4.01386 -56.2032 4.4296 22.8703 TIMING: 1249600 CPU: 3712.99, 0.00298438/step Wall: 3712.99, 0.00298438/step, 3.10906 hours remaining, 207.218750 MB of memory in use. ENERGY: 1249600 735.3939 2080.2892 1953.2275 116.1825 -205927.4605 17727.7522 0.0000 0.0000 34284.5687 -149030.0466 299.4157 -183314.6153 -148937.2519 299.2391 -76.8043 -44.3611 557296.1556 -0.6698 -0.6011 PRESSURE: 1249800 76.416 74.1222 52.68 74.1206 1.39348 67.4824 52.6799 67.4822 -199.133 GPRESSURE: 1249800 140.018 98.3765 -16.3388 85.6531 -6.33708 38.621 59.2837 54.838 -151.516 PRESSAVG: 1249800 -22.4582 14.2829 -7.41248 14.2829 -19.7286 32.5326 -7.41253 32.5326 12.061 GPRESSAVG: 1249800 -21.8009 11.3898 -6.27137 15.7681 -20.2079 33.3767 -7.96735 33.1496 12.387 TIMING: 1249800 CPU: 3713.59, 0.00300542/step Wall: 3713.59, 0.00300542/step, 3.13081 hours remaining, 207.218750 MB of memory in use. ENERGY: 1249800 744.4468 2114.2884 1967.9454 130.0152 -205968.3154 17784.1707 0.0000 0.0000 34193.1857 -149034.2632 298.6176 -183227.4489 -148929.9597 299.0598 -40.4411 -5.9452 555919.9584 -10.0419 -9.8739 PRESSURE: 1250000 -11.5928 6.34942 35.778 6.34995 57.5083 21.3299 35.7776 21.331 185.726 GPRESSURE: 1250000 83.0768 -28.5679 17.3235 29.0981 102.017 -18.3095 92.9457 23.7851 133.973 PRESSAVG: 1250000 -8.05156 -62.1181 -60.4886 -62.1182 -7.6921 -6.63683 -60.4886 -6.63678 33.136 GPRESSAVG: 1250000 -9.3654 -61.7432 -61.9085 -60.3687 -7.33158 -7.59171 -59.8396 -9.2452 33.7996 TIMING: 1250000 CPU: 3714.19, 0.00299621/step Wall: 3714.19, 0.00299621/step, 3.12106 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: 1250000 753.5527 2091.4665 1952.8499 111.7139 -206417.3286 18023.8122 0.0000 0.0000 34269.0334 -149214.9001 299.2800 -183483.9335 -149123.9855 298.9368 77.2138 106.3558 556357.5570 5.7974 5.7009 PRESSURE: 1250200 -300.882 -152.353 10.3721 -152.354 -145.171 -1.25985 10.3731 -1.26061 -162.45 GPRESSURE: 1250200 -271.417 -176.228 -76.3354 -97.0715 -70.9983 35.1012 96.2721 8.36496 -162.771 PRESSAVG: 1250200 40.1835 -37.0373 -24.9425 -37.0373 -35.332 -2.57764 -24.9424 -2.57763 22.0571 GPRESSAVG: 1250200 40.7209 -38.3759 -25.608 -37.7743 -35.6372 -2.56935 -25.7603 0.440286 21.9294 TIMING: 1250200 CPU: 3714.79, 0.00300598/step Wall: 3714.79, 0.00300598/step, 3.13107 hours remaining, 207.218750 MB of memory in use. ENERGY: 1250200 733.6805 2112.1472 1967.0288 111.2923 -205988.1118 17550.6881 0.0000 0.0000 34402.0605 -149111.2144 300.4418 -183513.2749 -149020.6368 299.2614 -202.8345 -168.3953 558970.9244 8.9695 9.0044 PRESSURE: 1250400 -158.191 31.8879 -25.0552 31.8872 -35.6481 -29.4772 -25.0555 -29.4772 -220.183 GPRESSURE: 1250400 -192.839 30.7708 -28.584 54.0342 14.3039 -60.2695 -31.993 -56.6816 -143.48 PRESSAVG: 1250400 -19.5317 12.9085 2.33788 12.9084 18.538 -8.70757 2.33798 -8.70765 3.25449 GPRESSAVG: 1250400 -18.7285 14.8318 3.51098 12.6184 18.0281 -8.62909 4.23668 -8.78873 2.62151 TIMING: 1250400 CPU: 3715.39, 0.00298589/step Wall: 3715.39, 0.00298589/step, 3.10997 hours remaining, 207.218750 MB of memory in use. ENERGY: 1250400 752.8937 2065.7938 1945.4606 112.7244 -205882.3286 17500.1329 0.0000 0.0000 34273.7959 -149231.5274 299.3216 -183505.3233 -149139.7980 299.6166 -138.0072 -107.3383 557213.7596 0.7536 0.6404 PRESSURE: 1250600 -56.6382 92.1542 -140.109 92.154 -514.912 57.7465 -140.109 57.7486 -194.237 GPRESSURE: 1250600 -81.1582 73.506 -121.876 165.282 -447.675 -37.7961 -146.461 51.0128 -147.051 PRESSAVG: 1250600 7.81193 29.0363 4.3292 29.0363 -29.2097 37.1998 4.32923 37.1998 2.87478 GPRESSAVG: 1250600 6.94092 28.045 5.59657 30.0377 -28.6935 39.1235 3.41034 35.3587 3.61936 TIMING: 1250600 CPU: 3715.98, 0.00298489/step Wall: 3715.98, 0.00298489/step, 3.10876 hours remaining, 207.218750 MB of memory in use. ENERGY: 1250600 784.0069 2091.1556 1956.8128 106.1941 -205747.5366 17363.3978 0.0000 0.0000 34178.5785 -149267.3910 298.4900 -183445.9695 -149169.7160 298.9257 -255.2622 -225.2949 557972.1892 -6.1743 -6.0444 PRESSURE: 1250800 -155.892 78.8761 -92.5163 78.8756 -86.3056 29.202 -92.5173 29.2018 -15.1631 GPRESSURE: 1250800 -136.812 104.72 -48.5995 34.7293 -28.8922 72.5596 -93.5946 -10.2896 7.66438 PRESSAVG: 1250800 2.38317 60.2799 28.6552 60.28 -7.4675 -29.0194 28.6553 -29.0194 2.91717 GPRESSAVG: 1250800 2.55681 59.5897 27.2794 61.3223 -7.24174 -32.9172 28.5619 -25.9904 2.74144 TIMING: 1250800 CPU: 3716.59, 0.00301272/step Wall: 3716.59, 0.00301272/step, 3.13758 hours remaining, 207.218750 MB of memory in use. ENERGY: 1250800 764.4362 2114.1542 1968.4215 107.8419 -206019.5319 17638.9234 0.0000 0.0000 34233.3391 -149192.4156 298.9683 -183425.7547 -149102.4112 298.8829 -85.7870 -52.6800 557069.6672 -0.7224 -0.6478 PRESSURE: 1251000 -17.1976 -17.9921 -100.461 -17.9915 49.8051 -2.29542 -100.46 -2.29514 339.396 GPRESSURE: 1251000 42.6798 -66.3004 -61.1213 -44.4617 33.6383 -25.4312 -124.623 7.29823 389.454 PRESSAVG: 1251000 14.7576 -2.10169 -49.6141 -2.1017 -23.7301 23.2991 -49.6142 23.299 26.5746 GPRESSAVG: 1251000 15.3913 -1.0831 -49.174 -5.64345 -25.1937 26.6773 -51.0209 19.5549 26.9653 TIMING: 1251000 CPU: 3717.18, 0.00298546/step Wall: 3717.18, 0.00298546/step, 3.10903 hours remaining, 207.218750 MB of memory in use. ENERGY: 1251000 740.3004 2112.3176 1936.1877 114.3976 -206511.3784 17985.4070 0.0000 0.0000 34480.2157 -149142.5524 301.1243 -183622.7681 -149050.4397 299.8188 124.0012 155.2575 557268.8347 5.8674 5.7210 PRESSURE: 1251200 26.8839 102.849 79.4763 102.849 58.3945 -70.5875 79.4763 -70.5885 -151.211 GPRESSURE: 1251200 27.8896 191.286 97.0961 94.242 99.7801 -80.3395 -32.0891 1.97297 -88.1508 PRESSAVG: 1251200 8.3728 -47.9921 -38.7677 -47.992 48.6721 69.8044 -38.7676 69.8045 -4.24991 GPRESSAVG: 1251200 8.47269 -47.2074 -38.0862 -46.5588 48.7998 70.14 -38.4204 68.2189 -4.78256 TIMING: 1251200 CPU: 3717.78, 0.00299454/step Wall: 3717.78, 0.00299454/step, 3.11831 hours remaining, 207.218750 MB of memory in use. ENERGY: 1251200 758.0967 2141.6304 1942.2728 117.3860 -206204.6948 17742.2955 0.0000 0.0000 34302.9854 -149200.0280 299.5765 -183503.0135 -149115.1208 299.4985 -21.9776 13.1729 556339.9952 17.5983 17.4967 PRESSURE: 1251400 171.664 106.328 11.3758 106.33 -60.7082 34.983 11.3768 34.9838 -177.768 GPRESSURE: 1251400 188.208 95.3722 22.1898 115.188 15.0957 4.03886 61.1314 105.552 -170.989 PRESSAVG: 1251400 17.498 9.95703 -77.438 9.95712 29.1861 -22.8286 -77.438 -22.8285 -75.7826 GPRESSAVG: 1251400 16.2167 8.70999 -78.0073 10.8308 29.6828 -24.7821 -76.4488 -19.9066 -74.8323 TIMING: 1251400 CPU: 3718.38, 0.00300195/step Wall: 3718.38, 0.00300195/step, 3.12587 hours remaining, 207.218750 MB of memory in use. ENERGY: 1251400 775.4640 2088.3089 1967.6223 101.7454 -206099.0871 17702.1204 0.0000 0.0000 34298.9971 -149164.8290 299.5417 -183463.8261 -149074.5625 299.6659 -22.2706 10.7717 556403.0900 -9.6995 -9.6442 PRESSURE: 1251600 -124.883 -15.5717 -110.236 -15.5727 -236.876 -111.144 -110.236 -111.143 78.2347 GPRESSURE: 1251600 -138.541 91.856 -143.101 -119.716 -228.522 -4.63733 -122.816 -135.749 189.649 PRESSAVG: 1251600 28.7291 24.579 -95.2345 24.5791 37.982 -49.5655 -95.2345 -49.5655 -78.432 GPRESSAVG: 1251600 28.6265 25.4279 -92.3176 24.2979 38.6076 -49.5184 -97.5387 -49.3749 -79.1628 TIMING: 1251600 CPU: 3718.99, 0.00302106/step Wall: 3718.99, 0.00302106/step, 3.1456 hours remaining, 207.218750 MB of memory in use. ENERGY: 1251600 771.6575 2095.5618 1938.0479 118.2845 -206098.2024 17631.7749 0.0000 0.0000 34202.9126 -149339.9632 298.7025 -183542.8758 -149244.9683 299.3415 -94.5082 -59.1381 556373.7173 -3.9070 -3.9762 PRESSURE: 1251800 100.343 -17.4806 -46.8198 -17.4821 294.053 -10.8882 -46.8195 -10.8882 334.946 GPRESSURE: 1251800 133.963 16.7071 -100.082 -2.90485 269.113 -27.9749 82.4069 42.5724 438.887 PRESSAVG: 1251800 -6.9201 -6.18344 -70.9081 -6.18352 26.4394 -29.3034 -70.908 -29.3033 -0.492768 GPRESSAVG: 1251800 -6.76992 -6.70118 -74.7364 -6.22068 26.4572 -29.5139 -68.2711 -28.9977 -0.259761 TIMING: 1251800 CPU: 3719.58, 0.00296662/step Wall: 3719.58, 0.00296662/step, 3.08875 hours remaining, 207.218750 MB of memory in use. ENERGY: 1251800 739.0808 2141.9420 1920.4368 117.8040 -206581.0790 18158.9199 0.0000 0.0000 34187.9809 -149314.9146 298.5721 -183502.8955 -149221.3842 299.0160 243.1140 280.6543 556260.7586 6.3422 6.4758 PRESSURE: 1252000 -104.516 -13.6936 8.55064 -13.6932 305.939 -156.486 8.54939 -156.485 -8.64903 GPRESSURE: 1252000 -97.1986 4.91408 32.3223 -66.7808 376.122 -153.942 1.76894 -93.6636 29.2809 PRESSAVG: 1252000 10.6506 27.4725 9.07549 27.4725 31.8211 -21.7147 9.07551 -21.7148 -7.29436 GPRESSAVG: 1252000 10.4481 26.8142 11.1246 27.1053 30.7912 -19.8041 7.65513 -23.4059 -6.05248 TIMING: 1252000 CPU: 3720.18, 0.0030006/step Wall: 3720.18, 0.0030006/step, 3.12395 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: 1252000 735.9374 2094.0781 1941.0861 116.2369 -206484.5484 18056.8962 0.0000 0.0000 34166.8091 -149373.5045 298.3872 -183540.3136 -149280.3180 298.8643 64.2582 102.7347 556747.3724 11.7258 11.7289 PRESSURE: 1252200 56.7918 101.429 -119.872 101.431 31.9946 -35.2373 -119.87 -35.2361 104.01 GPRESSURE: 1252200 94.868 167.668 -209.601 118.251 39.2276 -80.6687 -33.32 -63.9903 153.363 PRESSAVG: 1252200 -41.228 -18.4214 13.606 -18.4214 12.0499 77.2763 13.6061 77.2764 21.8425 GPRESSAVG: 1252200 -41.0841 -16.4346 10.2655 -18.5227 12.476 75.8183 16.6349 80.0941 21.2682 TIMING: 1252200 CPU: 3720.78, 0.00298197/step Wall: 3720.78, 0.00298197/step, 3.1044 hours remaining, 207.218750 MB of memory in use. ENERGY: 1252200 740.4017 2056.9328 1964.0658 115.3723 -206417.8570 18067.9251 0.0000 0.0000 34365.7676 -149107.3917 300.1248 -183473.1592 -149005.3758 299.3102 64.2654 95.8194 557131.9926 -2.4452 -2.4466 LDB: ============= START OF LOAD BALANCING ============== 3724.21 LDB: ============== END OF LOAD BALANCING =============== 3724.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3724.21 LDB: ============= START OF LOAD BALANCING ============== 3724.51 LDB: Largest compute 4821 load 0.031235 is 26.4% of average load 0.118143 LDB: Average compute 0.001705 is 1.4% of average load 0.118143 LDB: TIME 3724.51 LOAD: AVG 0.118143 MAX 0.198614 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 3724.51 LOAD: AVG 0.118143 MAX 0.198614 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: TIME 3724.51 LOAD: AVG 0.118143 MAX 0.198614 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3724.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3724.52 PRESSURE: 1252400 45.5174 -150.87 147.926 -150.87 -204.552 159.061 147.926 159.06 -75.6561 GPRESSURE: 1252400 9.90268 -187.552 118.147 -97.7139 -133.516 194.682 145.909 177.63 -19.7052 PRESSAVG: 1252400 -88.2369 -29.0948 -8.76286 -29.0948 7.70549 2.37549 -8.76277 2.37535 38.1974 GPRESSAVG: 1252400 -88.2902 -31.0691 -6.94075 -27.4359 7.60469 2.16674 -10.2959 1.69799 38.3565 TIMING: 1252400 CPU: 3721.39, 0.00304688/step Wall: 3721.39, 0.00304688/step, 3.1718 hours remaining, 205.289062 MB of memory in use. ENERGY: 1252400 751.8495 2124.9945 1928.1873 114.1706 -206206.5712 17689.5804 0.0000 0.0000 34427.1601 -149170.6287 300.6610 -183597.7888 -149071.8154 299.5299 -78.2302 -47.7729 558057.1274 -14.1113 -14.1097 PRESSURE: 1252600 -172.432 -97.4322 107.44 -97.4318 68.8701 -108.64 107.44 -108.641 13.2753 GPRESSURE: 1252600 -115.505 -3.36716 119.039 -35.4387 90.6747 -178.168 137.416 -22.922 20.5663 PRESSAVG: 1252600 -9.48762 -5.12124 10.8532 -5.12137 4.8442 21.1976 10.8532 21.1976 5.99402 GPRESSAVG: 1252600 -8.88429 -3.21931 11.1311 -8.61246 4.48182 22.1924 9.84401 20.7463 5.9161 TIMING: 1252600 CPU: 3721.99, 0.0029945/step Wall: 3721.99, 0.0029945/step, 3.11711 hours remaining, 205.492188 MB of memory in use. ENERGY: 1252600 739.4336 2155.2396 1940.6058 103.0463 -206196.8818 17692.1300 0.0000 0.0000 34550.9554 -149015.4712 301.7421 -183566.4266 -148917.1525 299.4520 -30.0954 -1.4214 557553.7269 0.4502 0.5045 PRESSURE: 1252800 -214.386 1.3362 23.9225 1.33788 -227.827 204.165 23.9208 204.165 -154.729 GPRESSURE: 1252800 -152.781 19.0036 87.1156 -45.0688 -232.829 196.602 67.208 199.412 -124.67 PRESSAVG: 1252800 48.4179 14.5217 31.9261 14.5217 -25.6692 55.5373 31.9261 55.5374 -6.47005 GPRESSAVG: 1252800 48.6415 13.5237 31.6682 15.031 -25.5984 56.7105 32.8191 54.7081 -6.701 TIMING: 1252800 CPU: 3722.58, 0.00296755/step Wall: 3722.58, 0.00296755/step, 3.08889 hours remaining, 205.492188 MB of memory in use. ENERGY: 1252800 707.2777 2108.2619 1944.5778 102.6171 -205869.1062 17398.8971 0.0000 0.0000 34430.2678 -149177.2067 300.6881 -183607.4745 -149079.9403 299.4986 -198.9805 -170.0932 558706.1734 5.4262 5.4474 PRESSURE: 1253000 -26.658 -42.049 -89.251 -42.0485 128.621 69.6679 -89.2497 69.6692 60.3284 GPRESSURE: 1253000 8.21553 -110.909 -119.633 0.375893 176.799 27.2108 -152.857 15.4254 77.7108 PRESSAVG: 1253000 -19.9244 23.9615 5.37903 23.9615 -8.84952 52.563 5.379 52.563 24.4512 GPRESSAVG: 1253000 -20.2511 24.0163 6.32585 24.2314 -8.8075 52.1908 5.59083 50.7675 24.8739 TIMING: 1253000 CPU: 3723.17, 0.00296113/step Wall: 3723.17, 0.00296113/step, 3.08205 hours remaining, 205.492188 MB of memory in use. ENERGY: 1253000 720.4876 2142.6396 1948.8492 103.8540 -205986.4001 17612.1621 0.0000 0.0000 34442.7093 -149015.6983 300.7967 -183458.4076 -148918.9799 299.5005 54.0973 87.5751 556260.8131 -1.4409 -1.3949 PRESSURE: 1253200 13.3543 -44.4517 -116.122 -44.4529 -60.6175 21.0769 -116.122 21.0765 68.1698 GPRESSURE: 1253200 72.9977 -35.9743 -150.88 24.5953 -39.4673 14.7094 -69.2436 16.4494 70.4918 PRESSAVG: 1253200 -37.7706 10.0953 -25.3918 10.0953 -8.79428 11.4092 -25.3918 11.4091 40.2719 GPRESSAVG: 1253200 -37.3625 10.7974 -26.2855 10.587 -8.43159 11.339 -25.8984 12.6159 39.7005 TIMING: 1253200 CPU: 3723.77, 0.00297083/step Wall: 3723.77, 0.00297083/step, 3.09197 hours remaining, 205.492188 MB of memory in use. ENERGY: 1253200 745.7538 2128.7815 1968.5734 104.2336 -206041.0596 17718.9732 0.0000 0.0000 34449.2975 -148925.4466 300.8543 -183374.7441 -148831.8017 300.3246 6.9689 34.6741 556609.1072 -2.0977 -2.0312 PRESSURE: 1253400 33.6472 -283.874 16.2663 -283.874 -278.385 166.864 16.267 166.864 208.957 GPRESSURE: 1253400 60.1424 -196.375 -2.07291 -279.537 -231.515 220.592 1.20009 158.451 229.715 PRESSAVG: 1253400 9.51515 24.7017 7.85681 24.7016 -39.1722 27.1296 7.8568 27.1297 35.6696 GPRESSAVG: 1253400 8.93112 23.3741 8.25048 24.8639 -39.709 26.4198 7.49102 28.4351 36.7899 TIMING: 1253400 CPU: 3724.36, 0.00298095/step Wall: 3724.36, 0.00298095/step, 3.10235 hours remaining, 205.492188 MB of memory in use. ENERGY: 1253400 790.6226 2078.5268 1943.1417 115.7872 -206045.3453 17808.6767 0.0000 0.0000 34419.0708 -148889.5196 300.5903 -183308.5904 -148793.7502 300.0829 -11.9269 19.4475 556297.5147 2.0042 2.0040 PRESSURE: 1253600 47.0192 62.6527 -98.7882 62.6529 -187.648 -1.23178 -98.7884 -1.23153 -248.274 GPRESSURE: 1253600 82.0417 78.4297 -20.0404 38.7017 -170.396 -1.92614 -134.318 -4.19131 -209.662 PRESSAVG: 1253600 32.6591 -42.2626 30.3034 -42.2626 16.3524 -5.98611 30.3034 -5.98625 -26.3097 GPRESSAVG: 1253600 33.5282 -42.8281 28.2544 -41.4363 16.8707 -5.90578 31.5276 -6.2324 -27.6081 TIMING: 1253600 CPU: 3724.96, 0.00299042/step Wall: 3724.96, 0.00299042/step, 3.11203 hours remaining, 205.492188 MB of memory in use. ENERGY: 1253600 767.3627 2133.9544 1928.4467 107.8218 -205748.0349 17610.6354 0.0000 0.0000 34289.4432 -148910.3708 299.4582 -183199.8141 -148810.0310 300.4610 -129.6341 -99.3387 558496.3445 7.5672 7.5969 PRESSURE: 1253800 -36.7864 -8.71404 174.524 -8.71407 1.77671 -60.8431 174.524 -60.8432 194.727 GPRESSURE: 1253800 1.98881 -38.8369 106.968 8.57809 53.7308 -72.6986 248.866 -32.7426 204.543 PRESSAVG: 1253800 105.755 29.4515 65.3693 29.4515 -29.0933 -17.029 65.3694 -17.029 -77.7831 GPRESSAVG: 1253800 105.276 29.435 65.851 28.2507 -29.5083 -17.8667 64.3905 -18.9209 -76.6456 TIMING: 1253800 CPU: 3725.56, 0.00298235/step Wall: 3725.56, 0.00298235/step, 3.10346 hours remaining, 205.492188 MB of memory in use. ENERGY: 1253800 757.7143 2132.0614 1956.9429 112.3744 -206202.1775 17882.1606 0.0000 0.0000 34225.4736 -149135.4503 298.8996 -183360.9239 -149040.4057 300.4177 53.2391 86.7542 557447.0668 -0.3737 -0.2926 PRESSURE: 1254000 -32.7706 50.2602 -65.4141 50.2603 152.551 -12.1185 -65.4119 -12.1194 168.392 GPRESSURE: 1254000 15.9388 122.183 -75.7392 37.3329 152.104 -5.83092 -117.321 -10.852 222.51 PRESSAVG: 1254000 8.78279 7.5311 35.177 7.53111 -13.5258 17.2592 35.177 17.2593 -10.009 GPRESSAVG: 1254000 9.02925 9.04884 36.0982 7.83011 -13.1048 18.52 35.4158 18.5654 -10.9465 TIMING: 1254000 CPU: 3726.15, 0.00297021/step Wall: 3726.15, 0.00297021/step, 3.09067 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: 1254000 746.1619 2129.1368 1940.8966 108.2134 -206200.3221 17903.7251 0.0000 0.0000 34303.5395 -149068.6488 299.5813 -183372.1883 -148974.8001 299.7922 96.0573 130.1846 557858.6065 -4.9173 -5.0074 PRESSURE: 1254200 102.511 90.2034 179.921 90.2038 -105.088 11.4533 179.921 11.4529 292.159 GPRESSURE: 1254200 121.632 56.3561 214.152 117.982 -31.5073 48.4051 218.061 7.48389 305.501 PRESSAVG: 1254200 22.6407 10.0419 8.93931 10.0419 -40.9644 -12.0498 8.9393 -12.0499 35.1161 GPRESSAVG: 1254200 21.9673 9.54764 10.4837 9.38521 -40.606 -13.4939 10.085 -10.8937 35.5801 TIMING: 1254200 CPU: 3726.75, 0.00298444/step Wall: 3726.75, 0.00298444/step, 3.10531 hours remaining, 205.492188 MB of memory in use. ENERGY: 1254200 738.3668 2105.5448 1925.2177 110.2489 -206290.2521 17897.0755 0.0000 0.0000 34301.8875 -149211.9108 299.5669 -183513.7984 -149115.0312 299.4961 96.5273 131.8751 556450.5447 5.5974 5.6471 PRESSURE: 1254400 190.111 29.1486 -15.331 29.1487 -102.354 9.3245 -15.3321 9.32641 157.853 GPRESSURE: 1254400 140.985 -37.9328 8.76776 64.0101 5.76926 -42.9693 50.3272 12.6213 207.472 PRESSAVG: 1254400 50.9618 -17.6171 0.38877 -17.6171 -41.535 -1.23122 0.388693 -1.23115 -15.1757 GPRESSAVG: 1254400 51.751 -17.6824 -2.73682 -16.1883 -41.5464 0.151198 0.359755 -2.28793 -15.8349 TIMING: 1254400 CPU: 3727.34, 0.00298326/step Wall: 3727.34, 0.00298326/step, 3.10392 hours remaining, 205.492188 MB of memory in use. ENERGY: 1254400 724.6671 2110.6732 1930.3761 111.0722 -206554.5411 17831.8857 0.0000 0.0000 34462.4189 -149383.4479 300.9689 -183845.8668 -149285.4706 299.0496 81.8697 118.0753 556980.2660 -1.9163 -1.8768 PRESSURE: 1254600 -356.027 -50.2048 13.9192 -50.2041 -39.4665 12.8424 13.9187 12.8423 48.3495 GPRESSURE: 1254600 -253.166 -109.809 15.2767 0.742326 -52.1297 6.31612 -80.372 29.8918 57.9232 PRESSAVG: 1254600 -14.5567 -24.3601 35.3473 -24.3601 25.2945 6.9025 35.3472 6.90239 -2.19088 GPRESSAVG: 1254600 -13.8252 -23.1161 37.6228 -26.1891 25.3466 5.05514 34.3236 7.26256 -3.34842 TIMING: 1254600 CPU: 3727.94, 0.00299939/step Wall: 3727.94, 0.00299939/step, 3.12053 hours remaining, 205.492188 MB of memory in use. ENERGY: 1254600 747.1286 2090.3416 1941.2311 126.5083 -206326.3284 17763.1187 0.0000 0.0000 34327.1149 -149330.8852 299.7872 -183658.0001 -149238.0938 299.1534 -115.7147 -82.4576 558027.6508 2.8490 2.7243 PRESSURE: 1254800 -217.388 16.1972 91.4911 16.1967 -146.407 71.3144 91.4915 71.3137 273.61 GPRESSURE: 1254800 -142.695 5.33898 107.276 62.6621 -143.03 72.4104 89.4738 67.9132 295.545 PRESSAVG: 1254800 -23.9227 -45.0385 14.8503 -45.0385 -30.4059 33.828 14.8506 33.828 71.718 GPRESSAVG: 1254800 -25.5404 -46.3188 12.321 -43.122 -29.8019 34.7377 16.7078 33.4311 72.5804 TIMING: 1254800 CPU: 3728.54, 0.00300115/step Wall: 3728.54, 0.00300115/step, 3.1222 hours remaining, 205.492188 MB of memory in use. ENERGY: 1254800 713.6314 2133.9888 1942.6201 112.6631 -205987.0077 17750.5507 0.0000 0.0000 34129.9158 -149203.6379 298.0650 -183333.5536 -149106.4023 298.9665 -30.0614 3.2730 558406.2207 5.7965 5.7461 PRESSURE: 1255000 307.574 80.7977 62.4285 80.7991 153.692 154.287 62.4266 154.286 95.1844 GPRESSURE: 1255000 344.773 48.3195 136.291 106.042 179.055 197.947 19.1924 166.414 136.429 PRESSAVG: 1255000 -13.4741 23.1512 42.0564 23.1512 10.976 8.04568 42.0565 8.04566 56.2956 GPRESSAVG: 1255000 -13.3441 24.0076 42.1267 22.7027 10.2294 8.57632 40.7239 8.32163 56.8103 TIMING: 1255000 CPU: 3729.14, 0.00299567/step Wall: 3729.14, 0.00299567/step, 3.11632 hours remaining, 205.492188 MB of memory in use. ENERGY: 1255000 739.2719 2094.3285 1942.5525 102.0663 -206378.6990 18001.1985 0.0000 0.0000 34188.2731 -149311.0082 298.5747 -183499.2813 -149212.4601 299.0317 185.4835 220.0856 555411.4826 17.9325 17.8986 PRESSURE: 1255200 -23.2645 -133.543 -10.3441 -133.542 138.868 -62.8808 -10.3432 -62.8816 -99.8223 GPRESSURE: 1255200 -57.7169 -75.622 25.2414 -158.282 200.635 -78.7809 16.1251 -69.9381 -41.7398 PRESSAVG: 1255200 -34.1819 15.1704 31.7322 15.1703 0.806286 73.9344 31.7322 73.9343 28.6559 GPRESSAVG: 1255200 -33.4189 15.7554 32.272 13.7267 0.659994 72.3628 32.7354 71.4966 27.3834 TIMING: 1255200 CPU: 3729.74, 0.00298698/step Wall: 3729.74, 0.00298698/step, 3.10713 hours remaining, 205.492188 MB of memory in use. ENERGY: 1255200 768.1427 2104.1163 1952.9787 114.7644 -206170.1587 17630.7700 0.0000 0.0000 34334.1069 -149265.2796 299.8483 -183599.3865 -149166.4662 299.7176 5.2604 33.7261 555502.3660 -1.5732 -1.7918 PRESSURE: 1255400 -2.09943 44.5068 114.152 44.5074 216.011 -130.254 114.151 -130.253 122.534 GPRESSURE: 1255400 62.5563 4.34711 95.2324 99.4481 252.439 -157.803 157.75 -102.479 121.871 PRESSAVG: 1255400 24.0037 -55.95 22.5379 -55.9501 -17.1861 -46.0414 22.5379 -46.0412 -20.9225 GPRESSAVG: 1255400 24.1797 -57.6194 22.2789 -55.4046 -18.5095 -44.2763 22.6846 -44.3812 -20.0048 TIMING: 1255400 CPU: 3730.34, 0.0029943/step Wall: 3730.34, 0.0029943/step, 3.11457 hours remaining, 205.492188 MB of memory in use. ENERGY: 1255400 745.3578 2134.1547 1960.4761 104.7258 -206350.0460 17905.9510 0.0000 0.0000 34166.9624 -149332.4181 298.3886 -183499.3805 -149232.5705 299.4223 112.1485 145.6220 557512.7577 -4.7016 -4.7782 PRESSURE: 1255600 66.9196 -231.334 293.835 -231.334 -273.355 -9.08672 293.836 -9.08839 -255.052 GPRESSURE: 1255600 70.1234 -158.285 225.183 -260.473 -210.643 -79.769 378.692 81.3481 -214.912 PRESSAVG: 1255600 -48.3656 -21.1063 48.9227 -21.1063 81.7018 -19.5103 48.9227 -19.5104 -2.41397 GPRESSAVG: 1255600 -50.5965 -21.8863 49.5684 -20.339 83.502 -19.2622 48.99 -19.2909 -2.11133 TIMING: 1255600 CPU: 3730.94, 0.00298731/step Wall: 3730.94, 0.00298731/step, 3.10713 hours remaining, 205.492188 MB of memory in use. ENERGY: 1255600 751.4575 2055.3749 1937.5408 117.5116 -206083.7454 17623.9836 0.0000 0.0000 34122.0953 -149475.7816 297.9967 -183597.8770 -149383.3266 299.0004 -153.8290 -118.4772 557205.3989 10.3074 10.2647 PRESSURE: 1255800 -83.1457 -85.5917 81.6877 -85.5907 -7.37919 -100.938 81.6878 -100.939 -94.4158 GPRESSURE: 1255800 -33.3396 20.5451 166.308 -45.4008 54.6716 -20.9951 61.6313 -102.525 -121.656 PRESSAVG: 1255800 7.10005 -33.5734 84.204 -33.5734 36.9417 -20.6765 84.204 -20.6765 -16.9128 GPRESSAVG: 1255800 9.08968 -32.4931 84.5898 -33.1154 35.2998 -20.2605 83.7216 -21.4468 -17.5966 TIMING: 1255800 CPU: 3731.54, 0.00299231/step Wall: 3731.54, 0.00299231/step, 3.11217 hours remaining, 205.492188 MB of memory in use. ENERGY: 1255800 735.2966 2090.5302 1930.4420 111.7572 -206465.4795 17706.5164 0.0000 0.0000 34260.9103 -149630.0269 299.2091 -183890.9372 -149538.4723 298.4641 -61.6469 -33.4414 556462.7039 9.0430 8.9310 PRESSURE: 1256000 -88.7603 -0.93413 34.8172 -0.93298 -135.69 -58.0482 34.8186 -58.0464 127.343 GPRESSURE: 1256000 -62.4941 -34.3291 93.4138 21.1716 -110.388 -40.3128 -19.8923 -1.82749 160.608 PRESSAVG: 1256000 16.9885 -0.442818 44.8132 -0.44281 19.9717 -1.13774 44.8133 -1.13763 -0.441176 GPRESSAVG: 1256000 16.0666 1.14532 45.0672 -1.92599 20.4855 0.0223083 43.6624 -1.07812 0.554942 TIMING: 1256000 CPU: 3732.13, 0.00297344/step Wall: 3732.13, 0.00297344/step, 3.09238 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: 1256000 761.5974 2101.0113 1929.3335 112.5485 -206806.5896 17900.1530 0.0000 0.0000 34221.1829 -149780.7631 298.8621 -184001.9460 -149681.0943 298.0294 -32.3692 -4.0914 558052.1654 12.1730 12.3690 PRESSURE: 1256200 -121.116 8.54461 -30.7355 8.54486 -60.7448 4.65718 -30.7349 4.65944 186.992 GPRESSURE: 1256200 -94.3957 -3.64041 -50.9986 36.2636 -75.5909 -37.8901 -39.1578 -3.61717 274.671 PRESSAVG: 1256200 -72.6763 40.3366 35.8649 40.3366 36.3598 -20.4239 35.8649 -20.4239 43.876 GPRESSAVG: 1256200 -72.3022 42.3371 34.9795 38.4346 37.0535 -22.2288 37.0146 -21.6884 43.0741 TIMING: 1256200 CPU: 3732.73, 0.00298328/step Wall: 3732.73, 0.00298328/step, 3.10245 hours remaining, 205.492188 MB of memory in use. ENERGY: 1256200 738.7030 2095.7751 1920.5451 130.9142 -206509.0592 17984.1707 0.0000 0.0000 34048.8219 -149590.1292 297.3568 -183638.9511 -149497.9017 298.1947 1.7103 34.8950 557254.0685 2.5198 2.6084 LDB: ============= START OF LOAD BALANCING ============== 3736.16 LDB: ============== END OF LOAD BALANCING =============== 3736.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3736.16 LDB: ============= START OF LOAD BALANCING ============== 3736.46 LDB: Largest compute 4821 load 0.031866 is 27.0% of average load 0.118090 LDB: Average compute 0.001714 is 1.5% of average load 0.118090 LDB: TIME 3736.46 LOAD: AVG 0.11809 MAX 0.198217 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.312 MB LDB: TIME 3736.46 LOAD: AVG 0.11809 MAX 0.198217 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.312 MB LDB: TIME 3736.46 LOAD: AVG 0.11809 MAX 0.198217 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3736.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3736.47 PRESSURE: 1256400 97.375 -69.2606 -86.0795 -69.2607 -112.129 -56.3252 -86.0791 -56.3247 53.0383 GPRESSURE: 1256400 143.124 -105.75 -62.4465 -14.4351 -89.4117 -32.6734 -166.948 -49.8482 92.5575 PRESSAVG: 1256400 -15.6573 24.5734 -3.08469 24.5734 -64.8578 -37.6501 -3.08474 -37.6501 90.5731 GPRESSAVG: 1256400 -15.0127 23.3316 -3.97005 27.2937 -64.9514 -37.088 -4.29514 -38.609 90.5908 TIMING: 1256400 CPU: 3733.34, 0.0030504/step Wall: 3733.34, 0.0030504/step, 3.17207 hours remaining, 207.601562 MB of memory in use. ENERGY: 1256400 729.1066 2123.8426 1939.3613 118.2287 -206223.8544 17787.8239 0.0000 0.0000 34058.0968 -149467.3946 297.4378 -183525.4913 -149372.9839 297.7826 12.7613 48.7566 557767.2642 3.3527 3.5423 PRESSURE: 1256600 -141.682 -83.7062 -155.765 -83.7067 126.365 -127.956 -155.765 -127.956 -177.294 GPRESSURE: 1256600 -74.8781 -125.651 -29.3665 -60.0205 127.583 -140.186 -240.485 -150.497 -156.11 PRESSAVG: 1256600 -46.0344 -11.028 -38.8436 -11.0279 0.154853 -15.1247 -38.8437 -15.1248 51.8223 GPRESSAVG: 1256600 -45.0574 -12.1716 -38.018 -13.5102 -0.382644 -17.2922 -38.5087 -12.1193 50.8919 TIMING: 1256600 CPU: 3733.94, 0.00300121/step Wall: 3733.94, 0.00300121/step, 3.12076 hours remaining, 207.601562 MB of memory in use. ENERGY: 1256600 742.5310 2143.0578 1925.6676 114.2078 -206068.4501 17730.8013 0.0000 0.0000 33943.7793 -149468.4054 296.4395 -183412.1846 -149377.3703 298.3070 -64.2035 -34.4681 557994.3993 1.9809 1.8173 PRESSURE: 1256800 13.7492 -40.7458 159.46 -40.7454 -420.927 -65.8758 159.46 -65.8756 -336.345 GPRESSURE: 1256800 -36.9691 -55.1063 183.075 -61.6418 -374.452 -111.953 56.1895 -86.6537 -245.273 PRESSAVG: 1256800 -31.0293 -22.9946 31.5495 -22.9947 44.8166 22.5786 31.5496 22.5786 -34.2183 GPRESSAVG: 1256800 -31.9678 -23.231 32.1235 -20.5021 44.9468 23.5318 31.3878 22.7813 -33.534 TIMING: 1256800 CPU: 3734.54, 0.0030057/step Wall: 3734.54, 0.0030057/step, 3.12526 hours remaining, 207.601562 MB of memory in use. ENERGY: 1256800 733.1976 2068.1135 1932.0213 125.4116 -205889.8325 17467.8981 0.0000 0.0000 34338.2397 -149224.9506 299.8844 -183563.1903 -149132.4426 298.5236 -247.8410 -218.8981 558401.5728 -6.8103 -6.8516 PRESSURE: 1257000 254.112 27.2427 146.618 27.2423 183.059 -56.0897 146.617 -56.0907 -86.1961 GPRESSURE: 1257000 270.512 63.8883 84.8537 -68.1949 241.047 -52.003 112.282 -9.74719 -59.0121 PRESSAVG: 1257000 19.6815 11.8226 1.67996 11.8227 -35.9207 0.153347 1.67994 0.153472 20.8094 GPRESSAVG: 1257000 19.004 12.8663 0.481011 9.62115 -36.0315 -0.48187 1.03895 1.36329 21.9371 TIMING: 1257000 CPU: 3735.13, 0.00297298/step Wall: 3735.13, 0.00297298/step, 3.09108 hours remaining, 207.601562 MB of memory in use. ENERGY: 1257000 737.3930 2157.9459 1905.3537 124.4963 -205860.1021 17756.1739 0.0000 0.0000 34061.8257 -149116.9136 297.4704 -183178.7392 -149028.9474 299.5321 116.9916 150.8489 556832.0427 1.5234 1.6365 PRESSURE: 1257200 118.551 135.483 149.787 135.484 65.7782 251.269 149.787 251.27 89.828 GPRESSURE: 1257200 124.481 -8.79184 160.96 76.2345 87.2079 286.066 111.716 182.814 152.955 PRESSAVG: 1257200 41.0221 33.4141 -29.0945 33.4141 -104.99 -22.2433 -29.0945 -22.2434 49.2434 GPRESSAVG: 1257200 42.0099 32.1751 -27.4534 34.3255 -104.038 -19.2222 -28.428 -25.6989 48.0805 TIMING: 1257200 CPU: 3735.73, 0.00299665/step Wall: 3735.73, 0.00299665/step, 3.11551 hours remaining, 207.601562 MB of memory in use. ENERGY: 1257200 757.4000 2177.2522 1937.2394 108.1018 -206560.9856 18027.3760 0.0000 0.0000 34427.6049 -149126.0113 300.6648 -183553.6162 -149024.1087 299.7741 91.3858 121.5478 556302.0156 -4.9081 -4.6491 PRESSURE: 1257400 -339.181 -32.7518 117.824 -32.7517 -44.778 -19.5317 117.824 -19.532 -121.665 GPRESSURE: 1257400 -310.793 -68.7975 69.9345 30.0357 -4.00804 -10.7799 186.792 -20.1168 -91.9612 PRESSAVG: 1257400 45.0139 -79.2949 12.6621 -79.2949 -62.9207 16.8225 12.6621 16.8225 14.5191 GPRESSAVG: 1257400 45.8924 -78.3444 11.788 -79.6318 -64.0025 16.4556 12.2893 18.5915 15.1207 TIMING: 1257400 CPU: 3736.33, 0.00300117/step Wall: 3736.33, 0.00300117/step, 3.12005 hours remaining, 207.601562 MB of memory in use. ENERGY: 1257400 781.1304 2163.1392 1967.1571 109.8481 -205899.4445 17655.8665 0.0000 0.0000 34184.7096 -149037.5935 298.5436 -183222.3031 -148940.4382 298.7901 -168.5414 -135.5874 558958.0026 -1.1292 -0.9964 PRESSURE: 1257600 -205.378 199.894 74.4446 199.893 116.23 58.4864 74.4448 58.4864 -105.17 GPRESSURE: 1257600 -127.085 244.569 150.425 157.786 157.15 -38.913 38.9333 66.7614 -134.546 PRESSAVG: 1257600 45.7078 -41.9024 19.8281 -41.9024 -55.281 43.9515 19.8281 43.9516 24.1869 GPRESSAVG: 1257600 44.2692 -42.2709 20.4186 -40.98 -54.8466 44.2436 19.7024 40.9091 24.8792 TIMING: 1257600 CPU: 3736.93, 0.00298804/step Wall: 3736.93, 0.00298804/step, 3.10623 hours remaining, 207.601562 MB of memory in use. ENERGY: 1257600 757.0155 2092.2409 1945.9879 96.7621 -206209.1903 17648.8503 0.0000 0.0000 34407.7435 -149260.5900 300.4914 -183668.3335 -149156.0329 299.3447 -64.7727 -34.8272 556312.7632 4.8712 4.7673 PRESSURE: 1257800 -489.131 62.0724 -22.4731 62.0719 -509.081 45.0867 -22.4735 45.0871 -138.552 GPRESSURE: 1257800 -448.285 58.2851 -43.7353 77.267 -505.137 43.3477 8.57253 15.2239 -75.6658 PRESSAVG: 1257800 -21.4791 23.9375 -23.066 23.9375 33.097 -17.0194 -23.066 -17.0193 -26.5286 GPRESSAVG: 1257800 -20.5139 25.1814 -22.0119 21.9654 33.4578 -19.215 -23.0703 -14.394 -28.4728 TIMING: 1257800 CPU: 3737.53, 0.00300472/step Wall: 3737.53, 0.00300472/step, 3.1234 hours remaining, 207.601562 MB of memory in use. ENERGY: 1257800 758.6358 2067.5163 1921.8072 120.1016 -205547.8662 17266.5514 0.0000 0.0000 34262.3579 -149150.8960 299.2217 -183413.2539 -149062.5732 299.4058 -378.9213 -343.0293 557786.6980 -4.9703 -5.1763 PRESSURE: 1258000 -305.58 -65.1256 38.3573 -65.1254 -75.909 -15.8527 38.3575 -15.8504 -32.5488 GPRESSURE: 1258000 -371.327 -19.6224 61.3372 -148.536 71.9734 9.07475 29.8175 41.1538 -11.8631 PRESSAVG: 1258000 -12.7526 -44.4148 -2.47235 -44.4149 46.0252 17.875 -2.47243 17.8752 -8.2166 GPRESSAVG: 1258000 -13.3237 -44.8326 -3.29764 -44.3008 45.7443 17.8218 -1.28119 18.0537 -7.73191 TIMING: 1258000 CPU: 3738.13, 0.00299015/step Wall: 3738.13, 0.00299015/step, 3.10809 hours remaining, 207.601562 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: 1258000 768.1996 2153.7028 1933.3479 98.1747 -206279.4715 17722.1001 0.0000 0.0000 34440.0488 -149163.8975 300.7735 -183603.9463 -149066.9340 299.7977 -138.0128 -103.7390 557892.6505 8.3520 8.2296 PRESSURE: 1258200 229.934 -59.9942 -8.17678 -59.9933 -61.6234 -59.2305 -8.17743 -59.2307 67.8591 GPRESSURE: 1258200 304.18 -88.7762 -81.5589 47.2259 5.96078 -111.924 71.2514 -64.3181 16.0126 PRESSAVG: 1258200 -1.35444 -20.1718 -34.5997 -20.1718 -14.2198 -37.8615 -34.5998 -37.8615 -4.43603 GPRESSAVG: 1258200 -0.648114 -21.7685 -35.8575 -18.855 -13.9412 -39.9454 -34.9678 -37.5441 -5.37504 TIMING: 1258200 CPU: 3738.72, 0.00297173/step Wall: 3738.72, 0.00297173/step, 3.08878 hours remaining, 207.601562 MB of memory in use. ENERGY: 1258200 775.0418 2089.2748 1953.5533 104.8321 -206557.6943 18022.1315 0.0000 0.0000 34328.1351 -149284.7258 299.7961 -183612.8609 -149196.9367 299.7693 78.7232 108.7177 556386.2042 -6.6701 -6.6548 PRESSURE: 1258400 176.038 -73.8144 103.891 -73.8144 44.5528 147.492 103.892 147.493 116.731 GPRESSURE: 1258400 240.195 -177.026 26.3918 -19.8755 116.723 120.998 160.717 107.61 71.8802 PRESSAVG: 1258400 70.5168 -32.7046 42.5472 -32.7046 -45.6545 -19.3544 42.5472 -19.3544 -11.0463 GPRESSAVG: 1258400 70.485 -32.44 43.3371 -31.249 -46.3249 -17.7589 43.7923 -19.7569 -10.0847 TIMING: 1258400 CPU: 3739.32, 0.00299798/step Wall: 3739.32, 0.00299798/step, 3.1159 hours remaining, 207.601562 MB of memory in use. ENERGY: 1258400 736.6305 2110.8286 1959.8165 121.6869 -206278.9776 17915.5158 0.0000 0.0000 34089.2579 -149345.2415 297.7100 -183434.4993 -149248.3400 299.3561 112.4409 142.9330 557824.1316 4.6053 4.6918 PRESSURE: 1258600 50.9429 -64.4093 67.1094 -64.4103 -9.51721 -7.38344 67.108 -7.3845 267.943 GPRESSURE: 1258600 73.3553 -140.371 20.1829 -95.993 -9.19623 72.6099 15.4576 17.275 349.159 PRESSAVG: 1258600 -17.0886 -28.2035 -29.9422 -28.2035 35.3427 14.5265 -29.9421 14.5265 60.5597 GPRESSAVG: 1258600 -17.332 -27.4287 -30.1731 -28.5862 36.1451 13.4629 -30.7381 15.7245 59.2263 TIMING: 1258600 CPU: 3739.92, 0.00300599/step Wall: 3739.92, 0.00300599/step, 3.12406 hours remaining, 207.601562 MB of memory in use. ENERGY: 1258600 754.2294 2165.7274 1945.6333 110.8756 -206811.9159 18256.1252 0.0000 0.0000 34314.6058 -149264.7193 299.6780 -183579.3251 -149169.2229 299.7415 103.1228 137.7728 559044.1701 26.2713 26.0131 PRESSURE: 1258800 171.528 -20.028 131.299 -20.0275 -16.844 -88.1285 131.3 -88.1292 -23.0688 GPRESSURE: 1258800 147.969 -9.93696 75.4299 -15.9854 3.07861 -75.0368 122.132 -86.135 75.5987 PRESSAVG: 1258800 -29.9923 0.47041 1.64581 0.470362 72.9744 -36.9244 1.64583 -36.9245 -19.235 GPRESSAVG: 1258800 -29.5541 1.13018 2.32564 -0.554635 73.2002 -35.6334 1.96558 -39.4113 -18.958 TIMING: 1258800 CPU: 3740.52, 0.00299567/step Wall: 3740.52, 0.00299567/step, 3.11317 hours remaining, 207.601562 MB of memory in use. ENERGY: 1258800 769.1909 2149.4730 1949.8236 118.6396 -206491.7755 18078.3288 0.0000 0.0000 34269.2747 -149157.0450 299.2821 -183426.3197 -149059.1605 298.5934 43.8718 75.5487 557061.8817 7.9157 8.2293 PRESSURE: 1259000 181.641 165.111 -10.3045 165.111 30.3282 -31.8838 -10.305 -31.8847 -163.71 GPRESSURE: 1259000 179.512 109.873 29.5612 181.783 76.0096 11.8033 -79.926 -102.905 -117.618 PRESSAVG: 1259000 -14.3199 20.689 41.7087 20.689 40.4473 -34.198 41.7086 -34.1979 -39.7519 GPRESSAVG: 1259000 -14.157 18.8091 41.6962 22.7411 41.1262 -33.6009 40.7249 -33.0225 -40.4723 TIMING: 1259000 CPU: 3741.12, 0.00298228/step Wall: 3741.12, 0.00298228/step, 3.09908 hours remaining, 207.601562 MB of memory in use. ENERGY: 1259000 680.2431 2154.1910 1948.2167 111.4823 -205769.5336 17595.7501 0.0000 0.0000 34026.5924 -149253.0580 297.1627 -183279.6504 -149158.6497 299.1860 16.0864 45.9679 558021.4978 -4.5415 -4.5010 PRESSURE: 1259200 57.124 -2.1488 135.103 -2.14805 140.064 -50.2848 135.102 -50.2851 -75.2836 GPRESSURE: 1259200 82.7299 13.4583 170.55 24.0394 161.222 -27.7329 148.41 -108.187 -28.3605 PRESSAVG: 1259200 2.59434 -27.1224 4.28096 -27.1224 18.0906 -15.5031 4.28109 -15.5031 10.9198 GPRESSAVG: 1259200 1.48841 -26.8722 2.3279 -26.787 17.2494 -16.5584 6.18494 -15.2899 12.2001 TIMING: 1259200 CPU: 3741.72, 0.00297832/step Wall: 3741.72, 0.00297832/step, 3.0948 hours remaining, 207.601562 MB of memory in use. ENERGY: 1259200 750.4430 2104.9073 1940.5754 108.8113 -206410.7659 17889.2731 0.0000 0.0000 34416.6596 -149200.0962 300.5692 -183616.7558 -149101.8518 298.9268 40.6348 71.8638 556675.6293 10.5349 10.3126 PRESSURE: 1259400 -230.644 65.9509 -128.271 65.9517 47.4835 -23.7786 -128.269 -23.7795 -152.815 GPRESSURE: 1259400 -134.199 165.779 -33.3937 -22.9019 74.3998 -115.023 -132.553 56.3578 -184.418 PRESSAVG: 1259400 31.7065 -24.5487 14.0088 -24.5487 27.1715 35.4519 14.0089 35.4518 -35.9615 GPRESSAVG: 1259400 32.9445 -23.4406 13.9733 -27.2678 27.4582 35.1072 14.2926 36.9335 -37.4136 TIMING: 1259400 CPU: 3742.31, 0.00297514/step Wall: 3742.31, 0.00297514/step, 3.09134 hours remaining, 207.601562 MB of memory in use. ENERGY: 1259400 747.1879 2130.7820 1961.1422 112.8924 -206344.3653 17860.8554 0.0000 0.0000 34593.4582 -148938.0472 302.1133 -183531.5054 -148842.2029 299.9263 -111.9919 -81.4055 557941.9096 7.6388 7.6630 PRESSURE: 1259600 -82.9613 58.5901 -123.755 58.5901 50.6058 -29.1716 -123.755 -29.173 -8.61557 GPRESSURE: 1259600 3.19276 -4.84828 -105.112 65.2973 101.685 57.7336 -45.6415 -128.384 -46.0811 PRESSAVG: 1259600 28.1501 -17.3182 3.32333 -17.3183 -22.2278 36.417 3.32336 36.417 -59.4352 GPRESSAVG: 1259600 27.4804 -19.5555 4.32611 -16.3776 -21.6682 37.4129 1.97118 33.6215 -59.65 TIMING: 1259600 CPU: 3742.91, 0.00299776/step Wall: 3742.91, 0.00299776/step, 3.11467 hours remaining, 207.601562 MB of memory in use. ENERGY: 1259600 737.3587 2143.8905 1961.7339 112.7149 -206097.2564 17796.8660 0.0000 0.0000 34397.4531 -148947.2393 300.4015 -183344.6924 -148852.7307 300.1174 -13.6570 19.5988 557414.2200 -17.8377 -17.9459 PRESSURE: 1259800 -9.28302 -45.553 61.6715 -45.5539 -96.8723 -130.724 61.6705 -130.724 -74.7891 GPRESSURE: 1259800 9.8161 -108.817 102.587 -16.404 -68.0905 -151.121 47.4778 -107.866 -23.3279 PRESSAVG: 1259800 46.2548 -8.66566 -47.6383 -8.66562 -38.6741 -4.64777 -47.6383 -4.64768 2.74388 GPRESSAVG: 1259800 47.0351 -6.51273 -48.1975 -8.65857 -39.3564 -6.5461 -46.2268 -1.95518 2.5495 TIMING: 1259800 CPU: 3743.51, 0.00300172/step Wall: 3743.51, 0.00300172/step, 3.11862 hours remaining, 207.601562 MB of memory in use. ENERGY: 1259800 760.5902 2081.7554 1960.8377 120.3954 -205971.6019 17832.2561 0.0000 0.0000 34331.4843 -148884.2827 299.8254 -183215.7669 -148786.2283 300.5280 -60.3148 -27.2008 558289.0275 3.4415 3.4094 PRESSURE: 1260000 -59.7151 239.031 -4.14081 239.03 -28.2362 -108.66 -4.14107 -108.66 13.5224 GPRESSURE: 1260000 -19.9572 305.697 34.2359 151.821 -13.7455 -51.7652 -27.9756 -107.654 58.8266 PRESSAVG: 1260000 41.7973 0.297439 42.5415 0.297423 6.18278 18.1158 42.5414 18.116 -13.4124 GPRESSAVG: 1260000 40.2288 -1.91371 42.1876 -0.225656 8.13156 21.4485 41.3848 16.4016 -13.5562 TIMING: 1260000 CPU: 3744.11, 0.00297867/step Wall: 3744.11, 0.00297867/step, 3.0945 hours remaining, 207.601562 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: 1260000 755.9451 2148.4184 1954.2633 115.0576 -206259.5813 17847.4564 0.0000 0.0000 34562.0877 -148876.3528 301.8393 -183438.4405 -148777.1081 300.4381 -24.8096 8.3747 558621.1105 11.5225 11.6014 PRESSURE: 1260200 26.7215 -45.9068 89.5524 -45.9073 213.291 52.0003 89.5507 52.0009 94.1006 GPRESSURE: 1260200 3.33243 -94.8693 70.7766 102.452 260.382 35.4637 115.693 40.9043 175.682 PRESSAVG: 1260200 -22.8576 83.5206 -29.2755 83.5206 16.4735 44.4476 -29.2754 44.4476 -45.4539 GPRESSAVG: 1260200 -22.667 83.7831 -26.381 84.1531 15.9476 42.069 -31.2466 45.2261 -44.782 TIMING: 1260200 CPU: 3744.7, 0.0029809/step Wall: 3744.7, 0.0029809/step, 3.09665 hours remaining, 207.601562 MB of memory in use. ENERGY: 1260200 704.6073 2104.9502 2009.5370 131.3500 -205982.8701 17894.5465 0.0000 0.0000 34309.1216 -148828.7574 299.6301 -183137.8789 -148732.7377 299.7778 111.3709 146.4655 558179.2306 -17.2793 -17.1671 LDB: ============= START OF LOAD BALANCING ============== 3748.13 LDB: ============== END OF LOAD BALANCING =============== 3748.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3748.13 LDB: ============= START OF LOAD BALANCING ============== 3748.43 LDB: Largest compute 4821 load 0.031560 is 26.7% of average load 0.118078 LDB: Average compute 0.001715 is 1.5% of average load 0.118078 LDB: TIME 3748.43 LOAD: AVG 0.118078 MAX 0.201795 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.172 MB LDB: TIME 3748.44 LOAD: AVG 0.118078 MAX 0.201795 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.375 MB LDB: TIME 3748.44 LOAD: AVG 0.118078 MAX 0.201795 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.375 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3748.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3748.44 PRESSURE: 1260400 86.2319 -110.844 -89.1337 -110.844 212.04 14.1481 -89.1346 14.1496 150.152 GPRESSURE: 1260400 115.518 -107.212 -81.1555 -78.824 267.35 -23.5436 24.7516 -107.143 162.166 PRESSAVG: 1260400 -26.9155 -14.1953 -14.5224 -14.1951 99.8796 -17.4046 -14.5224 -17.4046 -49.0727 GPRESSAVG: 1260400 -26.7236 -13.5749 -15.2244 -15.1971 99.086 -17.7738 -11.6333 -17.9066 -48.2827 TIMING: 1260400 CPU: 3745.31, 0.00305056/step Wall: 3745.31, 0.00305056/step, 3.16885 hours remaining, 206.371094 MB of memory in use. ENERGY: 1260400 735.8859 2137.9394 1957.0599 104.8228 -206592.4376 17988.7598 0.0000 0.0000 34849.2036 -148818.7661 304.3468 -183667.9697 -148725.8278 300.9379 149.4747 181.6782 556300.9945 7.9638 8.0266 PRESSURE: 1260600 -58.7778 -13.1789 13.3973 -13.1789 -97.0226 -43.4485 13.3967 -43.4494 -84.0193 GPRESSURE: 1260600 -45.806 73.6656 -20.3654 -51.6427 -30.8345 -91.899 13.4256 -20.1278 -60.4424 PRESSAVG: 1260600 12.2648 -22.1503 -8.10477 -22.1503 10.8201 -32.7263 -8.10484 -32.7263 10.3989 GPRESSAVG: 1260600 12.0439 -19.9637 -9.47198 -23.8143 12.4121 -32.2564 -8.55228 -32.0983 9.52737 TIMING: 1260600 CPU: 3745.91, 0.00300888/step Wall: 3745.91, 0.00300888/step, 3.12539 hours remaining, 206.371094 MB of memory in use. ENERGY: 1260600 767.9344 2085.0062 1969.1300 105.8968 -205967.2213 17665.5313 0.0000 0.0000 34276.0500 -149097.6726 299.3413 -183373.7226 -149000.3723 300.4034 -79.9399 -45.6943 556587.1168 11.1613 11.3278 PRESSURE: 1260800 15.4928 98.8231 -7.64943 98.8246 45.0801 -150.441 -7.64958 -150.439 -15.2073 GPRESSURE: 1260800 58.5016 208.326 -50.601 125.986 109.71 -104.385 -6.0553 -131.847 -23.4909 PRESSAVG: 1260800 35.3156 -7.98371 -4.30065 -7.98366 3.62668 -29.033 -4.30062 -29.0331 -32.7106 GPRESSAVG: 1260800 35.8023 -8.11426 -1.54146 -6.23396 3.86055 -28.6901 -6.84886 -30.6634 -33.4763 TIMING: 1260800 CPU: 3746.51, 0.00299842/step Wall: 3746.51, 0.00299842/step, 3.11436 hours remaining, 206.371094 MB of memory in use. ENERGY: 1260800 727.4661 2107.2873 1951.1605 121.6011 -206204.5010 17854.9305 0.0000 0.0000 34408.4329 -149033.6226 300.4974 -183442.0554 -148941.8033 299.7619 15.1219 48.2401 558112.8937 2.0772 2.0622 PRESSURE: 1261000 -7.10885 76.53 -38.6485 76.5301 126.334 89.3307 -38.6495 89.3304 -426.629 GPRESSURE: 1261000 -10.3223 92.085 57.7069 79.7925 160.524 94.0422 -76.3487 116.239 -347.794 PRESSAVG: 1261000 -2.77273 49.199 -67.6496 49.199 48.6767 22.4448 -67.6497 22.4447 -79.717 GPRESSAVG: 1261000 -3.0964 49.1501 -67.9659 50.6282 47.8571 23.8223 -67.5729 23.8166 -78.9093 TIMING: 1261000 CPU: 3747.12, 0.00300732/step Wall: 3747.12, 0.00300732/step, 3.12343 hours remaining, 206.371094 MB of memory in use. ENERGY: 1261000 748.6455 2120.9185 1970.4146 121.5785 -206409.4296 17856.7448 0.0000 0.0000 34489.7577 -149101.3699 301.2076 -183591.1276 -149001.5532 300.2879 -102.4680 -65.8641 556863.2599 -11.2710 -11.3829 PRESSURE: 1261200 -114.53 -96.3068 161.129 -96.3072 119.008 62.8916 161.13 62.8922 182.291 GPRESSURE: 1261200 -76.2439 -2.72647 160.662 -121.213 182.999 -24.8548 180.109 89.883 167.26 PRESSAVG: 1261200 -58.3424 -18.0348 -9.95659 -18.0348 38.2398 36.2386 -9.95666 36.2386 -3.7709 GPRESSAVG: 1261200 -59.2097 -19.9176 -12.7549 -18.5209 38.2333 36.2341 -7.93225 34.3021 -3.10235 TIMING: 1261200 CPU: 3747.72, 0.00301518/step Wall: 3747.72, 0.00301518/step, 3.13143 hours remaining, 206.371094 MB of memory in use. ENERGY: 1261200 732.4707 2106.0469 1944.6671 121.1645 -206197.6021 17908.6105 0.0000 0.0000 34294.8118 -149089.8306 299.5051 -183384.6424 -148996.1303 300.1528 62.2562 91.3383 556139.0005 -7.9578 -8.0262 PRESSURE: 1261400 7.3128 -122.49 46.112 -122.489 141.48 16.6883 46.1125 16.688 154.818 GPRESSURE: 1261400 40.4439 -66.8038 19.4516 -92.3878 194.932 -17.0599 39.6908 1.80335 164.333 PRESSAVG: 1261400 22.7959 -12.9755 65.0263 -12.9754 8.89557 -30.6442 65.0264 -30.6442 -30.9857 GPRESSAVG: 1261400 24.1567 -11.8167 66.2845 -13.29 8.25274 -31.351 63.7412 -28.4151 -31.8661 TIMING: 1261400 CPU: 3748.31, 0.00297909/step Wall: 3748.31, 0.00297909/step, 3.09378 hours remaining, 206.371094 MB of memory in use. ENERGY: 1261400 722.8092 2180.9287 1925.2437 131.8741 -206517.6310 18026.8870 0.0000 0.0000 34256.7043 -149273.1840 299.1723 -183529.8884 -149179.6221 298.8716 101.2037 133.2362 557040.5334 0.2353 0.1811 PRESSURE: 1261600 180.245 122.383 -29.9532 122.383 298.134 -53.0267 -29.9531 -53.0256 43.0634 GPRESSURE: 1261600 182.259 57.9984 44.817 119.5 310.098 -83.6813 36.9687 -145.389 112.866 PRESSAVG: 1261600 -39.6205 17.808 -17.5143 17.8079 45.0804 -46.393 -17.5144 -46.3931 -25.2995 GPRESSAVG: 1261600 -39.2117 16.9784 -16.4375 17.4076 44.9551 -46.0461 -16.8096 -48.8795 -25.5291 TIMING: 1261600 CPU: 3748.91, 0.00300065/step Wall: 3748.91, 0.00300065/step, 3.116 hours remaining, 206.371094 MB of memory in use. ENERGY: 1261600 763.6799 2032.3564 1946.0160 112.6670 -206323.7499 18206.1630 0.0000 0.0000 34115.9591 -149146.9086 297.9432 -183262.8677 -149048.1869 298.9903 173.8141 201.7410 557331.5330 -6.6132 -6.5953 PRESSURE: 1261800 -208.433 -103.484 143.55 -103.483 -210.916 75.4427 143.55 75.4451 -192.725 GPRESSURE: 1261800 -130.568 -4.42399 40.6381 -161.768 -224.321 110.558 213.19 9.12023 -166.449 PRESSAVG: 1261800 46.6562 66.0501 24.3338 66.0501 -42.1668 -20.4608 24.3337 -20.4609 2.73905 GPRESSAVG: 1261800 46.169 66.1937 22.6416 65.6136 -41.9233 -21.0288 25.7118 -19.9884 3.10824 TIMING: 1261800 CPU: 3749.51, 0.00298687/step Wall: 3749.51, 0.00298687/step, 3.10153 hours remaining, 206.371094 MB of memory in use. ENERGY: 1261800 752.1221 2083.5809 1947.5106 104.3571 -206073.8747 17704.4491 0.0000 0.0000 34345.9573 -149135.8975 299.9518 -183481.8548 -149034.2719 298.5080 -204.0247 -173.7790 557785.6556 2.4095 2.4513 PRESSURE: 1262000 83.8389 31.816 242.253 31.8153 -264.795 40.4567 242.253 40.4564 -152.966 GPRESSURE: 1262000 97.2258 -91.2578 223.578 134.281 -206.731 23.7304 229.417 -27.037 -119.002 PRESSAVG: 1262000 47.6444 -17.0353 12.3926 -17.0353 25.2522 52.0189 12.3926 52.0189 -24.5873 GPRESSAVG: 1262000 47.1973 -18.109 12.8593 -17.082 26.2074 51.6571 11.6139 53.9384 -25.0195 TIMING: 1262000 CPU: 3750.12, 0.00302537/step Wall: 3750.12, 0.00302537/step, 3.14134 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: 1262000 699.0537 2126.3056 1986.7458 107.9073 -205786.0193 17580.3627 0.0000 0.0000 34250.2612 -149035.3830 299.1160 -183285.6441 -148938.8080 299.5067 -111.3075 -76.1691 559171.9646 16.1031 16.1284 PRESSURE: 1262200 150.581 24.5935 -14.0463 24.5937 184.006 69.4092 -14.0465 69.409 71.2602 GPRESSURE: 1262200 147.235 -63.7995 -16.2773 112.081 280.444 51.4222 -5.12331 67.2264 60.0734 PRESSAVG: 1262200 9.11323 -19.9909 73.7956 -19.9909 -17.8185 9.35763 73.7955 9.35769 1.92188 GPRESSAVG: 1262200 7.88848 -18.7865 75.4833 -20.4366 -17.6446 9.85091 72.5907 8.15514 2.30291 TIMING: 1262200 CPU: 3750.72, 0.0030089/step Wall: 3750.72, 0.0030089/step, 3.12407 hours remaining, 206.371094 MB of memory in use. ENERGY: 1262200 734.0146 2114.3461 1931.1970 106.2345 -206119.5095 17944.8684 0.0000 0.0000 34306.1057 -148982.7432 299.6038 -183288.8489 -148888.5111 299.6795 135.2825 162.5843 556869.3472 -2.2611 -2.4844 PRESSURE: 1262400 45.034 -89.8841 138.686 -89.8838 -382.386 111.275 138.687 111.274 -200.597 GPRESSURE: 1262400 46.4416 -52.9768 109.422 -3.501 -332.264 110.443 24.4664 138.477 -156.382 PRESSAVG: 1262400 6.02133 24.7645 27.8641 24.7645 22.0762 -11.6549 27.864 -11.6549 -44.6735 GPRESSAVG: 1262400 6.98941 25.5824 25.2598 24.9349 21.1745 -11.849 29.7249 -11.281 -44.7448 TIMING: 1262400 CPU: 3751.32, 0.00299325/step Wall: 3751.32, 0.00299325/step, 3.10766 hours remaining, 206.371094 MB of memory in use. ENERGY: 1262400 749.9142 2080.2899 1951.6298 116.3227 -206075.5351 17732.4415 0.0000 0.0000 34467.2730 -148977.6641 301.0113 -183444.9370 -148878.6828 299.8646 -179.3163 -147.4015 558246.8448 -5.5253 -5.5269 PRESSURE: 1262600 -23.5784 106.952 33.7937 106.953 33.799 -203.391 33.7938 -203.39 358.566 GPRESSURE: 1262600 17.7819 123.34 -17.8438 104.409 15.4813 -224.425 -64.6135 -205.911 423.828 PRESSAVG: 1262600 13.0277 34.8993 -32.1704 34.8993 8.06179 -17.565 -32.1705 -17.5649 -1.5538 GPRESSAVG: 1262600 12.9226 32.0642 -31.8167 36.0159 8.54884 -19.4361 -33.9031 -18.096 -2.16995 TIMING: 1262600 CPU: 3751.91, 0.00297867/step Wall: 3751.91, 0.00297867/step, 3.09235 hours remaining, 206.371094 MB of memory in use. ENERGY: 1262600 736.3182 2105.2831 1923.6771 119.7216 -206170.5405 17771.6844 0.0000 0.0000 34490.2741 -149023.5820 301.2121 -183513.8561 -148930.5097 300.1251 122.9289 152.3639 556668.5407 6.5119 6.4338 PRESSURE: 1262800 24.0887 22.9048 -118.919 22.9041 -13.2119 65.6647 -118.919 65.663 -37.9442 GPRESSURE: 1262800 51.384 5.16929 -131.015 59.9375 -30.0025 98.3274 -63.4934 10.4909 45.2928 PRESSAVG: 1262800 -43.8064 -14.4077 55.7121 -14.4077 96.0838 -17.6006 55.712 -17.6007 11.4663 GPRESSAVG: 1262800 -43.8491 -12.6589 56.7272 -15.9319 95.9062 -15.6656 56.2997 -17.1856 11.9431 TIMING: 1262800 CPU: 3752.51, 0.00298201/step Wall: 3752.51, 0.00298201/step, 3.09566 hours remaining, 206.371094 MB of memory in use. ENERGY: 1262800 733.5191 2044.7986 1931.3795 94.6784 -205872.7371 17682.4479 0.0000 0.0000 34316.7906 -149069.1229 299.6971 -183385.9135 -148973.6717 300.7557 -9.0225 22.2248 556884.2575 21.2479 21.3334 PRESSURE: 1263000 -173.274 4.44537 -130.672 4.44507 -13.8297 -76.1995 -130.672 -76.1993 50.5198 GPRESSURE: 1263000 -134.973 85.0235 -163.01 63.9046 53.5245 -130.196 -139.577 -46.9011 44.2648 PRESSAVG: 1263000 -4.5697 -1.534 2.50725 -1.53406 14.6909 2.32726 2.50713 2.32731 27.715 GPRESSAVG: 1263000 -4.83009 -2.68811 0.79192 -1.19059 14.9973 2.64383 2.76313 3.72342 27.7403 TIMING: 1263000 CPU: 3753.11, 0.00300367/step Wall: 3753.11, 0.00300367/step, 3.11798 hours remaining, 206.371094 MB of memory in use. ENERGY: 1263000 729.2508 2114.8906 1932.2165 109.0496 -205949.2830 17620.4980 0.0000 0.0000 34378.6563 -149064.7213 300.2374 -183443.3776 -148965.5054 298.8638 -45.5280 -12.3946 556250.0300 12.6121 12.6358 PRESSURE: 1263200 -30.0233 -175.927 -51.1963 -175.927 75.7438 -119.267 -51.1961 -119.267 17.231 GPRESSURE: 1263200 -32.8839 -105.929 35.1265 -225.382 124.606 -195.73 -116.855 -89.8191 62.3802 PRESSAVG: 1263200 -20.5452 -29.5025 -50.4947 -29.5026 23.8146 -1.66117 -50.4947 -1.6612 -12.7622 GPRESSAVG: 1263200 -20.5987 -28.288 -49.4452 -29.7709 24.2243 -1.33667 -49.7764 -3.17068 -12.8716 TIMING: 1263200 CPU: 3753.71, 0.0029908/step Wall: 3753.71, 0.0029908/step, 3.10445 hours remaining, 206.371094 MB of memory in use. ENERGY: 1263200 759.3500 2120.5074 1954.9593 118.4862 -205813.4179 17775.9968 0.0000 0.0000 34175.7431 -148908.3750 298.4653 -183084.1181 -148805.9676 299.4419 20.9838 51.3673 558417.3892 -3.1643 -3.0820 PRESSURE: 1263400 -89.6163 -89.3074 -24.0553 -89.3075 -167.091 6.60552 -24.0559 6.60451 104.489 GPRESSURE: 1263400 -67.6193 -109.645 -12.1845 -105.873 -160.826 -22.0686 -33.9767 -7.45978 168.182 PRESSAVG: 1263400 4.49915 -23.7845 -11.1517 -23.7846 7.70146 20.403 -11.1518 20.403 3.49574 GPRESSAVG: 1263400 3.78254 -24.6656 -12.1326 -25.2734 8.04832 19.2437 -11.7891 22.9442 3.16621 TIMING: 1263400 CPU: 3754.3, 0.00298416/step Wall: 3754.3, 0.00298416/step, 3.09739 hours remaining, 206.371094 MB of memory in use. ENERGY: 1263400 726.1043 2050.8790 1949.9395 116.8530 -205782.9688 17684.7108 0.0000 0.0000 34113.1826 -149141.2997 297.9189 -183254.4822 -149042.2207 299.7698 -50.7395 -20.0879 558719.6825 5.2321 4.9990 PRESSURE: 1263600 -56.9854 -72.4857 0.165218 -72.4844 4.07499 -165.345 0.164773 -165.347 -55.054 GPRESSURE: 1263600 -27.4802 -112.38 -42.7554 74.4209 31.2977 -178.869 10.1302 -136.237 -2.59623 PRESSAVG: 1263600 10.1012 -13.7106 -72.1737 -13.7106 -78.3853 1.90523 -72.1736 1.90518 44.5857 GPRESSAVG: 1263600 9.78844 -14.3961 -72.2275 -10.3227 -77.4137 0.285335 -72.3278 0.931342 44.9462 TIMING: 1263600 CPU: 3754.9, 0.00300107/step Wall: 3754.9, 0.00300107/step, 3.11478 hours remaining, 206.371094 MB of memory in use. ENERGY: 1263600 765.1923 2085.7685 1945.5589 111.0425 -206215.5040 17674.3130 0.0000 0.0000 34440.7465 -149192.8824 300.7796 -183633.6289 -149092.3436 299.2397 -35.9881 0.4071 556133.3580 -7.8994 -7.5597 PRESSURE: 1263800 -79.7106 -6.23725 -59.5463 -6.2365 92.9412 -200.632 -59.5467 -200.633 173.917 GPRESSURE: 1263800 -21.2878 -26.5469 -50.4718 -70.9521 74.22 -163.795 11.9085 -230.869 221.77 PRESSAVG: 1263800 -36.1301 -8.6071 -45.2222 -8.60713 -16.9289 -75.7364 -45.2222 -75.7364 89.9198 GPRESSAVG: 1263800 -34.7646 -6.84021 -45.3555 -12.7937 -19.1004 -75.863 -44.595 -74.9097 90.4705 TIMING: 1263800 CPU: 3755.5, 0.00299308/step Wall: 3755.5, 0.00299308/step, 3.10632 hours remaining, 206.371094 MB of memory in use. ENERGY: 1263800 740.8779 2073.2078 1931.4943 108.2726 -206308.1206 17819.0936 0.0000 0.0000 34497.1575 -149138.0169 301.2723 -183635.1745 -149037.2352 299.5681 62.3827 91.5673 557194.7447 12.2869 12.2018 PRESSURE: 1264000 -49.8777 -27.734 37.8338 -27.7323 240.526 4.75812 37.8321 4.758 331.348 GPRESSURE: 1264000 -17.987 -87.3452 -7.07327 69.5804 275.298 14.0539 212.969 -56.1472 363.531 PRESSAVG: 1264000 -50.1693 -31.0275 -13.8771 -31.0275 -23.5664 -29.0888 -13.8772 -29.0887 49.6416 GPRESSAVG: 1264000 -51.548 -31.9998 -13.3228 -29.5877 -23.2434 -25.5361 -14.0489 -31.8125 50.5305 TIMING: 1264000 CPU: 3756.1, 0.0029791/step Wall: 3756.1, 0.0029791/step, 3.09165 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: 1264000 698.9107 2174.7276 1898.7737 100.8092 -206512.2118 18116.8608 0.0000 0.0000 34009.2050 -149512.9249 297.0108 -183522.1299 -149416.7661 298.8494 173.9986 206.9473 557432.4892 -8.0314 -8.0869 PRESSURE: 1264200 -25.7953 -79.7503 32.857 -79.751 -34.5841 166.258 32.8562 166.258 199.29 GPRESSURE: 1264200 -38.8427 -56.7216 -13.9209 -18.2824 -1.2786 164.14 35.5482 234.375 272.539 PRESSAVG: 1264200 -22.1877 -7.89836 -13.3306 -7.89837 11.973 -70.6698 -13.3307 -70.6697 42.2639 GPRESSAVG: 1264200 -21.2719 -5.72554 -13.9034 -8.29116 11.9639 -71.7081 -12.2408 -70.909 41.0447 TIMING: 1264200 CPU: 3756.7, 0.00298652/step Wall: 3756.7, 0.00298652/step, 3.09917 hours remaining, 206.371094 MB of memory in use. ENERGY: 1264200 723.8121 2130.0338 1933.5838 120.8707 -206742.8232 18163.9402 0.0000 0.0000 34226.9308 -149443.6517 298.9123 -183670.5825 -149342.7205 297.4531 46.3036 77.4726 557947.1618 10.6831 10.5789 LDB: ============= START OF LOAD BALANCING ============== 3760.12 LDB: ============== END OF LOAD BALANCING =============== 3760.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3760.13 LDB: ============= START OF LOAD BALANCING ============== 3760.42 LDB: Largest compute 4821 load 0.031645 is 26.8% of average load 0.118090 LDB: Average compute 0.001714 is 1.5% of average load 0.118090 LDB: TIME 3760.43 LOAD: AVG 0.11809 MAX 0.199058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.348 MB LDB: TIME 3760.43 LOAD: AVG 0.11809 MAX 0.199058 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.352 MB LDB: TIME 3760.43 LOAD: AVG 0.11809 MAX 0.199058 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3760.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3760.43 PRESSURE: 1264400 -198.832 4.62938 -35.6416 4.62918 -85.9624 127.876 -35.6425 127.877 -109.485 GPRESSURE: 1264400 -181.074 86.1503 -9.83311 -113.628 -35.5323 86.6524 -81.5615 99.4692 -70.697 PRESSAVG: 1264400 -29.1134 45.6293 -26.8066 45.6293 10.8779 -6.54434 -26.8067 -6.54425 26.4769 GPRESSAVG: 1264400 -29.4246 46.2563 -25.7208 44.4509 11.2312 -6.8226 -27.8789 -6.07519 26.2123 TIMING: 1264400 CPU: 3757.3, 0.00303887/step Wall: 3757.3, 0.00303887/step, 3.15333 hours remaining, 206.628906 MB of memory in use. ENERGY: 1264400 720.2141 2107.9734 1937.9969 114.5174 -206298.5576 17839.8872 0.0000 0.0000 34187.7886 -149390.1799 298.5705 -183577.9685 -149289.5072 298.2436 -131.4265 -95.7678 559737.3162 2.7471 2.6729 PRESSURE: 1264600 -107.198 168.624 142.493 168.625 46.7781 -150.23 142.493 -150.23 63.2116 GPRESSURE: 1264600 -34.401 110.928 87.4138 224.831 72.6971 -109.813 178.167 -216.088 51.9204 PRESSAVG: 1264600 -59.6147 -67.5394 8.06435 -67.5394 11.5542 -62.1439 8.06441 -62.144 28.4792 GPRESSAVG: 1264600 -59.8751 -69.5362 7.80923 -65.6321 11.1654 -62.058 7.91759 -60.1672 28.9199 TIMING: 1264600 CPU: 3757.9, 0.00299615/step Wall: 3757.9, 0.00299615/step, 3.10884 hours remaining, 206.628906 MB of memory in use. ENERGY: 1264600 749.6836 2117.2247 1929.4831 122.3172 -206357.7707 17970.1660 0.0000 0.0000 34194.2794 -149274.6167 298.6271 -183468.8961 -149182.1144 299.4287 0.9304 30.0722 557717.5541 -6.5271 -6.5966 PRESSURE: 1264800 -113.02 2.11996 -9.02043 2.11947 -188.651 63.0401 -9.02099 63.0392 -65.0602 GPRESSURE: 1264800 -125.297 54.4923 -68.323 53.3973 -123.966 38.7473 -66.6779 65.4599 -25.7794 PRESSAVG: 1264800 -58.0208 16.5864 -14.5312 16.5864 -0.463958 -43.0658 -14.5311 -43.0658 49.4578 GPRESSAVG: 1264800 -58.3258 17.4945 -14.3563 16.3734 0.758327 -43.2022 -14.8873 -43.7369 48.9515 TIMING: 1264800 CPU: 3758.5, 0.00299713/step Wall: 3758.5, 0.00299713/step, 3.10968 hours remaining, 206.628906 MB of memory in use. ENERGY: 1264800 773.7932 2109.0608 1914.7783 109.6535 -205895.3166 17650.2700 0.0000 0.0000 34177.8921 -149159.8686 298.4840 -183337.7607 -149062.6184 299.3389 -122.2435 -91.6807 558652.9857 -3.0090 -2.8720 PRESSURE: 1265000 -64.9645 92.1085 -218.722 92.108 96.1743 30.1477 -218.722 30.1457 22.4166 GPRESSURE: 1265000 -41.5284 60.0196 -276.859 129.63 173.474 95.5103 -227.018 6.89814 25.9465 PRESSAVG: 1265000 -40.8587 -2.58649 -30.7266 -2.58645 92.7504 54.174 -30.7266 54.1739 -4.8349 GPRESSAVG: 1265000 -39.9318 -3.51267 -29.7762 -1.56304 92.1925 56.2444 -29.0232 51.6531 -5.19465 TIMING: 1265000 CPU: 3759.1, 0.00300924/step Wall: 3759.1, 0.00300924/step, 3.12208 hours remaining, 206.628906 MB of memory in use. ENERGY: 1265000 751.7292 2106.8824 1941.0555 109.3483 -206156.2903 17902.0523 0.0000 0.0000 34112.3180 -149232.9045 297.9114 -183345.2225 -149138.0613 299.8920 17.8755 52.6307 558158.5115 15.6856 15.6887 PRESSURE: 1265200 -102.671 -92.372 -33.4731 -92.371 29.1099 -56.0161 -33.4733 -56.0168 43.4108 GPRESSURE: 1265200 -100.089 -161.953 -43.2455 -78.6205 66.4585 -164.857 -27.0469 1.37435 96.7008 PRESSAVG: 1265200 -15.1352 5.88067 -7.80894 5.88057 -2.18873 -42.0842 -7.80892 -42.0841 9.78178 GPRESSAVG: 1265200 -15.7958 5.10882 -10.2706 5.82435 -2.10101 -45.4268 -9.28322 -39.8435 10.1104 TIMING: 1265200 CPU: 3759.71, 0.00300846/step Wall: 3759.71, 0.00300846/step, 3.12111 hours remaining, 206.628906 MB of memory in use. ENERGY: 1265200 772.2728 2064.6701 1921.0406 109.7356 -206368.1028 18099.3050 0.0000 0.0000 34059.1760 -149341.9026 297.4473 -183401.0786 -149246.1890 298.6128 -10.0502 21.0233 558930.2982 -2.5141 -2.5955 PRESSURE: 1265400 199.242 46.0853 91.6344 46.0868 42.2752 17.1502 91.634 17.1498 69.7436 GPRESSURE: 1265400 252.709 22.2646 65.818 97.443 138.412 100.054 111.704 -0.727538 20.9968 PRESSAVG: 1265400 -14.5383 -25.0457 27.8494 -25.0458 39.8587 42.5606 27.8494 42.5607 -19.9269 GPRESSAVG: 1265400 -14.9651 -24.3674 30.7984 -27.2531 40.2405 45.2871 28.1933 42.8234 -20.1645 TIMING: 1265400 CPU: 3760.31, 0.00299846/step Wall: 3760.31, 0.00299846/step, 3.11057 hours remaining, 206.628906 MB of memory in use. ENERGY: 1265400 740.5012 2094.9077 1941.5881 112.0211 -206630.5221 18135.1428 0.0000 0.0000 34309.8072 -149296.5541 299.6361 -183606.3613 -149195.1927 298.2631 103.7535 137.3726 557242.5328 1.7978 1.7036 PRESSURE: 1265600 103.459 96.4128 30.85 96.4116 -43.7317 193.732 30.8504 193.732 -168.139 GPRESSURE: 1265600 143.288 110.146 17.0724 24.8399 -6.60031 65.2305 68.5977 249.198 -154.521 PRESSAVG: 1265600 46.6706 44.6486 17.6623 44.6486 -0.981264 6.78115 17.6624 6.78111 -0.897342 GPRESSAVG: 1265600 47.5229 44.4607 15.1428 47.0866 -2.44017 4.99789 18.4727 7.42126 -0.789954 TIMING: 1265600 CPU: 3760.91, 0.00303033/step Wall: 3760.91, 0.00303033/step, 3.14347 hours remaining, 206.628906 MB of memory in use. ENERGY: 1265600 751.7549 2052.9082 1960.0165 109.5348 -206303.7531 17854.1834 0.0000 0.0000 34215.8230 -149359.5322 298.8153 -183575.3552 -149255.1503 299.1774 -36.1372 -5.9446 557060.7962 14.9307 14.7643 PRESSURE: 1265800 -41.4851 67.3407 113.805 67.3422 -15.7723 -130.186 113.805 -130.185 -52.5142 GPRESSURE: 1265800 -44.587 112.445 76.8098 102.829 -0.989414 -160.283 175.759 -104.812 37.3566 PRESSAVG: 1265800 48.9579 16.0558 -30.3175 16.0558 -31.592 21.356 -30.3174 21.3558 -2.75828 GPRESSAVG: 1265800 48.0824 17.6531 -29.6902 12.7951 -30.5585 20.132 -27.7126 22.4814 -2.50725 TIMING: 1265800 CPU: 3761.51, 0.00299313/step Wall: 3761.51, 0.00299313/step, 3.10471 hours remaining, 206.628906 MB of memory in use. ENERGY: 1265800 776.8460 2106.4155 1958.4381 113.3595 -206077.2829 17897.3282 0.0000 0.0000 34091.5737 -149133.3219 297.7302 -183224.8956 -149037.4012 298.9315 -36.5905 -2.7399 559032.6154 4.8692 5.0055 PRESSURE: 1266000 46.1406 206.61 22.9578 206.61 -198.127 -14.8167 22.9585 -14.8173 -91.4157 GPRESSURE: 1266000 73.1279 137.97 -20.0062 209.678 -133.283 29.0297 65.0023 4.21272 -85.9576 PRESSAVG: 1266000 64.3701 1.43727 -29.2869 1.4372 -31.6133 -14.6326 -29.2869 -14.6328 4.0393 GPRESSAVG: 1266000 65.3558 0.93989 -29.0662 3.72468 -31.5587 -13.9566 -32.1489 -15.8846 3.40123 TIMING: 1266000 CPU: 3762.11, 0.00298166/step Wall: 3762.11, 0.00298166/step, 3.09265 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: 1266000 767.9235 2055.5490 1962.1473 111.1144 -206114.0293 17758.7094 0.0000 0.0000 34247.0206 -149211.5652 299.0877 -183458.5858 -149118.1265 299.5036 -81.1339 -48.7043 557193.4925 12.2654 12.3994 PRESSURE: 1266200 -8.94249 5.72589 138.064 5.72435 149.62 168.516 138.064 168.517 135.83 GPRESSURE: 1266200 14.441 -24.6097 53.5021 -33.6896 202.752 152.123 154.803 156.907 144.001 PRESSAVG: 1266200 29.6446 0.0475701 2.00535 0.0476119 -23.0641 24.4748 2.00542 24.4747 -12.5497 GPRESSAVG: 1266200 29.0685 -1.85884 0.715454 -0.0435386 -23.0435 26.8271 4.0216 24.1193 -12.1929 TIMING: 1266200 CPU: 3762.7, 0.00297073/step Wall: 3762.7, 0.00297073/step, 3.08114 hours remaining, 206.628906 MB of memory in use. ENERGY: 1266200 730.7165 2079.8145 1965.7208 122.6615 -206263.4637 17921.4910 0.0000 0.0000 34372.9225 -149070.1367 300.1873 -183443.0592 -148968.7775 299.4530 92.1693 120.3981 557558.1933 -1.9897 -2.0559 PRESSURE: 1266400 84.4265 -9.3066 -55.8802 -9.30637 -58.2256 -150.567 -55.8791 -150.567 -90.3189 GPRESSURE: 1266400 110.647 18.3289 -20.4786 6.65333 -2.07575 -142.032 -66.9705 -71.4242 -77.5507 PRESSAVG: 1266400 72.7157 17.5629 -10.6348 17.5628 -41.1285 5.78079 -10.6347 5.78085 -20.1793 GPRESSAVG: 1266400 73.1994 18.6656 -9.28888 16.6404 -41.5877 3.37984 -10.6795 6.35673 -20.0832 TIMING: 1266400 CPU: 3763.3, 0.00299361/step Wall: 3763.3, 0.00299361/step, 3.10471 hours remaining, 206.628906 MB of memory in use. ENERGY: 1266400 733.2936 2091.9866 1955.8684 117.8976 -206219.2659 17962.9152 0.0000 0.0000 34411.7940 -148945.5104 300.5268 -183357.3044 -148854.4583 299.1294 -21.3726 10.3403 559393.4509 3.8026 3.8428 PRESSURE: 1266600 85.9512 4.8657 -10.8343 4.8661 105.677 99.0518 -10.8337 99.0528 65.6173 GPRESSURE: 1266600 126.232 -47.1245 -16.1508 -3.74835 141.663 -5.58596 10.5866 73.9157 89.5595 PRESSAVG: 1266600 19.9139 19.0683 -9.00441 19.0684 19.4268 -48.5101 -9.00433 -48.5101 -61.5378 GPRESSAVG: 1266600 19.8256 20.7359 -8.92491 19.9931 20.103 -48.6464 -10.633 -49.6917 -62.9735 TIMING: 1266600 CPU: 3763.9, 0.00299442/step Wall: 3763.9, 0.00299442/step, 3.10538 hours remaining, 206.628906 MB of memory in use. ENERGY: 1266600 716.1148 2142.2907 1904.2727 112.4271 -206611.7061 18116.7415 0.0000 0.0000 34581.7468 -149038.1126 302.0110 -183619.8593 -148949.6761 299.7064 85.7484 119.1515 557481.5355 -7.3990 -7.6816 PRESSURE: 1266800 -143.452 55.5752 -89.5677 55.5763 -24.3277 108.155 -89.5695 108.156 -161.372 GPRESSURE: 1266800 -130.408 105.811 -60.3051 18.7131 58.8592 84.3491 -30.8892 142.611 -163.942 PRESSAVG: 1266800 -28.1301 -36.8066 -41.0243 -36.8065 25.505 -8.83877 -41.0243 -8.83871 17.2077 GPRESSAVG: 1266800 -29.3541 -39.7064 -40.4601 -36.1394 26.8119 -6.84611 -41.504 -10.7803 17.3226 TIMING: 1266800 CPU: 3764.49, 0.00296945/step Wall: 3764.49, 0.00296945/step, 3.07932 hours remaining, 206.628906 MB of memory in use. ENERGY: 1266800 759.9129 2072.5872 1926.6105 118.2777 -205978.8205 17611.7786 0.0000 0.0000 34278.0802 -149211.5733 299.3590 -183489.6535 -149119.1800 299.2301 -109.7175 -78.4971 557403.6321 4.8608 4.9268 PRESSURE: 1267000 -155.058 -81.6263 42.6339 -81.6269 -56.6522 74.0712 42.6335 74.0723 -431.753 GPRESSURE: 1267000 -128.086 39.0827 63.7996 -161.392 -55.1037 123.295 -15.5722 39.3436 -354.344 PRESSAVG: 1267000 77.6333 -39.6088 -34.0429 -39.6088 -50.9084 26.371 -34.0429 26.371 -72.9105 GPRESSAVG: 1267000 79.1577 -37.2973 -35.8502 -42.6032 -51.4893 25.7027 -31.9874 28.4662 -73.1596 TIMING: 1267000 CPU: 3765.09, 0.00297861/step Wall: 3765.09, 0.00297861/step, 3.08865 hours remaining, 206.628906 MB of memory in use. ENERGY: 1267000 709.6507 2129.3983 1926.6812 111.2917 -205621.1419 17409.6186 0.0000 0.0000 34074.8994 -149259.6021 297.5846 -183334.5015 -149169.9246 298.3584 -214.4877 -179.1781 559053.7054 -15.3952 -15.1637 PRESSURE: 1267200 -13.3645 -5.46863 -98.4828 -5.46775 -87.6322 -61.057 -98.4832 -61.0562 181.977 GPRESSURE: 1267200 20.819 -40.1341 -64.1717 27.8718 -62.4906 -51.321 -100.721 12.7749 211.647 PRESSAVG: 1267200 37.8879 -4.74269 7.27232 -4.74271 -32.1768 -22.6226 7.27239 -22.6227 -14.2625 GPRESSAVG: 1267200 35.9556 -6.1937 8.38638 -1.97569 -32.4326 -22.0457 3.30832 -22.9191 -12.8483 TIMING: 1267200 CPU: 3765.68, 0.00297619/step Wall: 3765.68, 0.00297619/step, 3.08598 hours remaining, 206.628906 MB of memory in use. ENERGY: 1267200 738.5004 2092.0156 1941.8473 111.5474 -205881.0176 17719.3068 0.0000 0.0000 34157.8633 -149119.9369 298.3091 -183277.8002 -149022.3988 299.3391 26.9935 56.6585 558226.1637 -2.8505 -3.1084 PRESSURE: 1267400 -53.7895 -16.8715 29.2113 -16.8709 -395.986 34.3986 29.2112 34.3982 196.118 GPRESSURE: 1267400 -65.2439 46.5725 76.7731 -21.0963 -289.427 42.5735 79.1902 123.05 190.923 PRESSAVG: 1267400 40.3613 14.4696 -41.4438 14.4696 -8.19618 51.8932 -41.4437 51.8932 -5.70324 GPRESSAVG: 1267400 40.709 12.6566 -41.506 15.7885 -7.64297 52.3899 -39.5848 51.1449 -6.82587 TIMING: 1267400 CPU: 3766.28, 0.00299094/step Wall: 3766.28, 0.00299094/step, 3.1011 hours remaining, 206.628906 MB of memory in use. ENERGY: 1267400 745.3483 2116.3484 1938.0315 120.9890 -206197.5443 17665.1944 0.0000 0.0000 34569.9237 -149041.7090 301.9077 -183611.6327 -148944.1983 299.7496 -84.5524 -54.5829 556682.1945 8.8206 8.7467 PRESSURE: 1267600 269.029 12.2925 -62.603 12.2915 80.0129 -33.987 -62.6027 -33.9881 0.179395 GPRESSURE: 1267600 254.642 9.31282 -57.9094 -8.39091 133.621 -19.8372 5.53643 -38.5275 55.3123 PRESSAVG: 1267600 -6.72025 -36.4791 7.17647 -36.4792 -16.9868 54.3448 7.17652 54.3449 15.502 GPRESSAVG: 1267600 -7.35884 -35.0732 4.44917 -38.0435 -17.3245 52.4775 8.40465 56.4355 15.9677 TIMING: 1267600 CPU: 3766.88, 0.00299188/step Wall: 3766.88, 0.00299188/step, 3.10191 hours remaining, 206.628906 MB of memory in use. ENERGY: 1267600 732.0904 2086.5304 1946.0551 115.6792 -206251.4606 17957.5902 0.0000 0.0000 34205.9005 -149207.6148 298.7286 -183413.5153 -149108.9279 299.5875 116.4070 147.8584 557366.9664 -2.7350 -2.9052 PRESSURE: 1267800 91.6174 -54.5592 -180.32 -54.5584 -87.8563 143.341 -180.319 143.341 -161.059 GPRESSURE: 1267800 132.748 -9.48046 -102.204 -40.8474 -67.5057 126.201 -225.363 114.668 -113.241 PRESSAVG: 1267800 50.0926 32.1532 -18.479 32.1534 -31.8207 35.2012 -18.479 35.2011 -26.0517 GPRESSAVG: 1267800 50.5434 30.7861 -16.0212 34.4391 -32.6699 35.3408 -18.961 33.8027 -25.4583 TIMING: 1267800 CPU: 3767.48, 0.00297637/step Wall: 3767.48, 0.00297637/step, 3.08567 hours remaining, 206.628906 MB of memory in use. ENERGY: 1267800 687.4271 2081.2098 1933.7071 107.8556 -206294.8661 17778.9075 0.0000 0.0000 34420.2915 -149285.4675 300.6010 -183705.7590 -149187.0774 299.4815 -52.4325 -15.9995 557890.6840 -2.5933 -2.5283 PRESSURE: 1268000 -39.9126 79.8713 22.1626 79.871 -111.132 225.046 22.1631 225.045 -261.084 GPRESSURE: 1268000 14.6204 186.188 16.2837 25.2042 -100.089 253.373 77.8631 170.949 -236.545 PRESSAVG: 1268000 2.57383 41.4399 -30.5512 41.4398 -21.2422 45.4437 -30.5512 45.4436 7.58317 GPRESSAVG: 1268000 3.98593 44.7983 -30.1972 37.7205 -20.9285 48.5372 -31.7421 43.7024 6.59128 TIMING: 1268000 CPU: 3768.07, 0.00297687/step Wall: 3768.07, 0.00297687/step, 3.08602 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: 1268000 736.0096 2086.4757 1935.3843 129.8777 -206136.5533 17703.2712 0.0000 0.0000 34242.1003 -149303.4343 299.0448 -183545.5346 -149213.6264 298.6682 -137.3763 -107.3378 559183.1814 -3.6951 -3.4504 PRESSURE: 1268200 -68.9382 -44.0714 1.78124 -44.0721 -234.689 -72.562 1.78188 -72.5621 51.4386 GPRESSURE: 1268200 -37.5025 -122.374 63.7994 -23.7752 -178.868 -82.1326 80.2619 -36.5044 65.5433 PRESSAVG: 1268200 19.1197 4.93354 4.96072 4.93345 11.2091 -6.1666 4.96079 -6.16652 -36.9474 GPRESSAVG: 1268200 18.4168 3.13746 3.29593 6.20666 11.5882 -12.5582 6.45616 -3.71302 -36.4431 TIMING: 1268200 CPU: 3768.67, 0.00299247/step Wall: 3768.67, 0.00299247/step, 3.10202 hours remaining, 206.628906 MB of memory in use. ENERGY: 1268200 709.9666 2048.4418 1967.6074 125.0702 -206410.0708 17846.1925 0.0000 0.0000 34282.2374 -149430.5549 299.3953 -183712.7923 -149338.8975 298.2359 -84.0628 -50.2756 559564.0312 -2.2062 -2.1460 LDB: ============= START OF LOAD BALANCING ============== 3772.1 LDB: ============== END OF LOAD BALANCING =============== 3772.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3772.1 LDB: ============= START OF LOAD BALANCING ============== 3772.4 LDB: Largest compute 4821 load 0.032028 is 27.1% of average load 0.117966 LDB: Average compute 0.001715 is 1.5% of average load 0.117966 LDB: TIME 3772.4 LOAD: AVG 0.117966 MAX 0.19858 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.57 MB LDB: TIME 3772.4 LOAD: AVG 0.117966 MAX 0.19858 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.574 MB LDB: TIME 3772.4 LOAD: AVG 0.117966 MAX 0.19858 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3772.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3772.41 PRESSURE: 1268400 17.2942 -5.42397 -10.9675 -5.42353 -80.3406 -126.929 -10.968 -126.929 125.891 GPRESSURE: 1268400 74.9458 30.389 -5.78732 22.4291 -69.7939 -114.813 -78.5834 -124.429 143.763 PRESSAVG: 1268400 -3.88533 29.9011 7.54337 29.9011 -25.7592 58.4696 7.54341 58.4695 44.6247 GPRESSAVG: 1268400 -4.35254 30.9255 7.73842 29.6376 -25.5217 62.1489 6.54916 56.3586 44.941 TIMING: 1268400 CPU: 3769.28, 0.00304902/step Wall: 3769.28, 0.00304902/step, 3.16048 hours remaining, 207.402344 MB of memory in use. ENERGY: 1268400 757.2456 2087.3914 1955.5804 101.9328 -206944.7622 18198.2809 0.0000 0.0000 34412.4976 -149431.8336 300.5329 -183844.3312 -149336.2952 299.1570 20.9482 49.6382 558349.5064 4.9934 5.0222 PRESSURE: 1268600 -41.7889 -206.457 -102.623 -206.458 -149.658 -172.892 -102.623 -172.893 -83.6763 GPRESSURE: 1268600 6.41146 -223.553 -70.7389 -220.68 -125.047 -107.348 -86.1327 -160.824 -66.5953 PRESSAVG: 1268600 -25.2358 49.3724 0.109858 49.3723 24.9824 -16.1843 0.109882 -16.1842 20.8622 GPRESSAVG: 1268600 -23.6175 49.7265 1.60484 48.9051 23.7811 -17.2068 -2.34637 -15.0577 20.5424 TIMING: 1268600 CPU: 3769.88, 0.00298946/step Wall: 3769.88, 0.00298946/step, 3.09857 hours remaining, 207.402344 MB of memory in use. ENERGY: 1268600 743.1121 2122.2721 1958.7185 115.6784 -206016.5179 17615.6456 0.0000 0.0000 34037.4240 -149423.6673 297.2573 -183461.0912 -149332.2078 298.7534 -91.7077 -61.7436 558072.5075 6.8696 6.9020 PRESSURE: 1268800 23.2562 -109.418 154.115 -109.418 96.9086 28.0808 154.116 28.0791 299.31 GPRESSURE: 1268800 13.7916 -155.799 186.962 -21.6149 171.011 15.6043 114.824 70.7305 324.584 PRESSAVG: 1268800 -58.8006 20.0254 -34.3103 20.0254 7.34727 -9.45942 -34.3102 -9.4593 12.8713 GPRESSAVG: 1268800 -61.0966 16.9106 -34.5729 21.7563 9.00831 -9.76278 -31.6483 -8.10309 13.7475 TIMING: 1268800 CPU: 3770.47, 0.0029743/step Wall: 3770.47, 0.0029743/step, 3.0827 hours remaining, 207.402344 MB of memory in use. ENERGY: 1268800 752.1107 2126.3119 1940.6867 103.1854 -206890.6880 18216.9415 0.0000 0.0000 34486.3271 -149265.1248 301.1777 -183751.4519 -149168.9566 299.6500 139.8250 169.7956 555597.0174 -12.8607 -12.7803 PRESSURE: 1269000 -132.929 -134.222 -5.00248 -134.22 -458.238 -148.573 -5.00157 -148.574 79.0614 GPRESSURE: 1269000 -108.737 -105.137 -91.9052 -218.287 -388.062 -183.366 16.763 -101.945 77.3172 PRESSAVG: 1269000 -9.25713 -29.2979 27.3393 -29.2979 -46.7808 -10.5968 27.3394 -10.5969 119.654 GPRESSAVG: 1269000 -7.54129 -26.1774 26.9834 -31.7059 -48.4764 -9.87389 27.8188 -12.1405 119.319 TIMING: 1269000 CPU: 3771.07, 0.00299935/step Wall: 3771.07, 0.00299935/step, 3.10849 hours remaining, 207.402344 MB of memory in use. ENERGY: 1269000 744.7011 2141.5187 1980.6235 121.7895 -206268.8723 17599.6104 0.0000 0.0000 34457.0909 -149223.5382 300.9223 -183680.6291 -149126.6510 299.8861 -170.7017 -139.8272 556988.4567 21.2053 21.1005 PRESSURE: 1269200 -53.399 -45.5401 13.5455 -45.5414 98.317 56.7386 13.5443 56.7403 -386.771 GPRESSURE: 1269200 -69.1071 -40.5313 -40.2964 -142.754 102.347 39.108 11.4349 39.0512 -281.468 PRESSAVG: 1269200 -29.658 70.2922 35.4285 70.292 -19.8488 -39.3504 35.4285 -39.3504 67.3608 GPRESSAVG: 1269200 -29.9506 70.9995 34.45 69.9945 -19.9522 -38.3716 35.9076 -41.7205 67.7524 TIMING: 1269200 CPU: 3771.67, 0.00300246/step Wall: 3771.67, 0.00300246/step, 3.11155 hours remaining, 207.402344 MB of memory in use. ENERGY: 1269200 755.0220 2166.4543 1955.6725 130.7441 -205938.9829 17588.1564 0.0000 0.0000 34182.3120 -149160.6215 298.5226 -183342.9335 -149072.7293 298.9267 -113.9512 -82.7428 557437.0264 5.9513 5.9499 PRESSURE: 1269400 -54.3068 63.1128 21.5454 63.112 95.7731 90.8467 21.5453 90.8464 334.861 GPRESSURE: 1269400 -1.65692 105.534 22.4229 66.5757 97.5478 98.4523 52.4907 24.9004 371.002 PRESSAVG: 1269400 27.1448 16.5678 7.78692 16.5677 -55.0713 -32.1574 7.78704 -32.1574 16.2832 GPRESSAVG: 1269400 26.2754 15.4625 7.31299 18.4113 -54.2725 -31.5553 7.46904 -29.9228 16.039 TIMING: 1269400 CPU: 3772.27, 0.00299394/step Wall: 3772.27, 0.00299394/step, 3.10255 hours remaining, 207.402344 MB of memory in use. ENERGY: 1269400 765.3926 2068.9195 1954.7434 117.3950 -206334.5036 18042.5740 0.0000 0.0000 34257.5412 -149127.9378 299.1796 -183385.4790 -149030.5529 299.7903 125.4425 155.6309 555378.4378 -3.8811 -3.9860 PRESSURE: 1269600 -28.1938 5.66576 -95.7279 5.6656 184.548 14.9038 -95.7266 14.9034 191.438 GPRESSURE: 1269600 63.3086 10.6871 -62.3857 -79.1261 192.087 27.2165 -42.2862 70.2032 192.39 PRESSAVG: 1269600 8.2818 -19.0619 -11.1801 -19.0618 51.7482 -15.6735 -11.1801 -15.6735 -22.6838 GPRESSAVG: 1269600 9.34245 -17.5321 -11.1137 -19.4212 50.1355 -18.8692 -10.5958 -13.7596 -22.3439 TIMING: 1269600 CPU: 3772.87, 0.00297363/step Wall: 3772.87, 0.00297363/step, 3.08135 hours remaining, 207.402344 MB of memory in use. ENERGY: 1269600 752.7610 2052.0816 1958.0780 116.9424 -206629.7450 18014.2372 0.0000 0.0000 34356.4690 -149379.1758 300.0436 -183735.6448 -149284.4248 298.9635 115.9304 149.2619 554724.1741 12.4487 12.3780 PRESSURE: 1269800 -41.6841 32.3899 -54.3988 32.3906 -179.63 41.202 -54.3994 41.2018 -60.923 GPRESSURE: 1269800 -11.4896 -27.9307 -82.1713 50.7563 -85.9939 -13.8932 -72.1046 72.1658 -72.2407 PRESSAVG: 1269800 14.9738 18.5012 -18.4736 18.5011 -23.4825 46.7975 -18.4737 46.7975 36.5738 GPRESSAVG: 1269800 13.0021 16.8532 -19.5053 18.6727 -22.3202 48.5857 -17.7818 44.2029 37.2718 TIMING: 1269800 CPU: 3773.46, 0.00297392/step Wall: 3773.46, 0.00297392/step, 3.08147 hours remaining, 207.402344 MB of memory in use. ENERGY: 1269800 765.9141 2084.9871 1979.6453 119.6596 -206236.4996 17750.4599 0.0000 0.0000 34222.1659 -149313.6676 298.8707 -183535.8336 -149213.2212 299.0541 -94.0789 -56.5747 556465.5345 9.3550 9.3179 PRESSURE: 1270000 -91.5816 76.4954 20.5074 76.4946 52.5543 -18.1773 20.507 -18.1752 -71.1381 GPRESSURE: 1270000 -96.9273 84.7143 13.7092 83.3776 104.195 -16.0791 21.7968 26.5741 -24.4346 PRESSAVG: 1270000 7.29317 -3.80515 70.6331 -3.80522 27.168 12.7477 70.6331 12.7477 -16.364 GPRESSAVG: 1270000 7.91664 -3.01511 71.1602 -3.09611 28.0193 12.9521 68.5474 14.8021 -18.2297 TIMING: 1270000 CPU: 3774.06, 0.00299668/step Wall: 3774.06, 0.00299668/step, 3.10489 hours remaining, 207.402344 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: 1270000 729.8600 2109.9582 1967.0540 116.0972 -206136.4253 17755.3720 0.0000 0.0000 34206.3909 -149251.6930 298.7329 -183458.0840 -149147.4422 299.1032 -36.7218 -5.7222 556761.2680 6.0324 5.9021 PRESSURE: 1270200 153.532 -68.3381 35.5288 -68.338 -29.1139 53.5146 35.5291 53.5134 -58.4473 GPRESSURE: 1270200 178.022 -11.9516 23.1973 -86.1213 -7.09817 76.4744 35.0036 64.4929 -7.942 PRESSAVG: 1270200 23.5774 1.23022 -3.75933 1.2302 16.8325 16.7258 -3.75932 16.7259 -17.3399 GPRESSAVG: 1270200 23.9734 2.38937 -4.20036 -0.766027 15.8619 15.112 -2.50969 18.2087 -16.4856 TIMING: 1270200 CPU: 3774.67, 0.00304816/step Wall: 3774.67, 0.00304816/step, 3.15806 hours remaining, 207.402344 MB of memory in use. ENERGY: 1270200 779.1677 2038.7971 1946.4092 107.5335 -206401.4882 17892.5055 0.0000 0.0000 34326.0113 -149311.0638 299.7776 -183637.0751 -149212.7602 299.5278 21.9903 54.3274 556375.2644 7.6900 7.7832 PRESSURE: 1270400 23.9472 69.0357 78.9953 69.0351 320.509 -19.4547 78.9957 -19.4554 -54.3075 GPRESSURE: 1270400 134.561 75.8091 12.8559 26.8045 288.494 2.52948 118.504 -24.953 -25.9837 PRESSAVG: 1270400 32.5847 14.7062 -36.5399 14.7062 -48.2839 1.54107 -36.5399 1.54111 15.5667 GPRESSAVG: 1270400 33.4223 14.5791 -37.0085 16.1225 -47.6393 3.59348 -36.1561 -1.32385 14.4707 TIMING: 1270400 CPU: 3775.28, 0.00304086/step Wall: 3775.28, 0.00304086/step, 3.15033 hours remaining, 207.402344 MB of memory in use. ENERGY: 1270400 750.6212 2095.5952 1925.8649 113.4842 -206180.8213 17774.1114 0.0000 0.0000 34171.2944 -149349.8499 298.4264 -183521.1443 -149246.0089 299.1999 96.7162 132.3568 555322.8427 -0.0442 0.0846 PRESSURE: 1270600 113.036 7.44495 5.51266 7.44331 116.511 45.4059 5.51175 45.4051 -156.588 GPRESSURE: 1270600 106.744 8.2177 90.0061 42.4928 114.664 -29.0728 -2.34482 18.8871 -44.9238 PRESSAVG: 1270600 45.5756 31.2699 72.3591 31.2698 29.0932 -28.4696 72.3591 -28.4696 -77.9851 GPRESSAVG: 1270600 44.5288 30.5523 73.4783 32.667 28.9036 -31.7254 71.5567 -27.3769 -76.4449 TIMING: 1270600 CPU: 3775.87, 0.00297138/step Wall: 3775.87, 0.00297138/step, 3.07819 hours remaining, 207.402344 MB of memory in use. ENERGY: 1270600 760.4247 2124.9336 1929.4393 121.1100 -206452.0935 17926.4838 0.0000 0.0000 34227.7218 -149361.9803 298.9192 -183589.7021 -149267.8162 299.4272 24.3198 58.8281 555526.6045 -1.1054 -1.0042 PRESSURE: 1270800 -185.087 -30.8712 -24.604 -30.8723 -179.035 -40.6786 -24.6045 -40.6799 -188.838 GPRESSURE: 1270800 -90.8297 -67.0484 -14.8706 -54.9145 -168.99 -25.2713 -22.7265 -36.1 -194.347 PRESSAVG: 1270800 40.6232 20.7568 -62.9612 20.7568 66.5806 -39.2055 -62.9612 -39.2056 -67.0486 GPRESSAVG: 1270800 42.2482 20.612 -62.1584 19.9885 66.0865 -36.2734 -62.9662 -39.9738 -68.5752 TIMING: 1270800 CPU: 3776.47, 0.00298001/step Wall: 3776.47, 0.00298001/step, 3.08696 hours remaining, 207.402344 MB of memory in use. ENERGY: 1270800 751.6985 2096.5725 1940.5466 111.9819 -205873.7999 17522.1722 0.0000 0.0000 34234.7016 -149216.1266 298.9802 -183450.8281 -149118.5846 299.1548 -184.3201 -151.3889 557782.3074 13.3851 13.2532 PRESSURE: 1271000 -123.096 93.9457 -68.7426 93.9449 132.901 -2.72392 -68.7421 -2.72407 77.022 GPRESSURE: 1271000 -90.5928 135.668 -159.302 -35.8681 202.501 -5.12196 65.3574 -40.6418 84.4476 PRESSAVG: 1271000 39.3819 -56.6104 -50.1124 -56.6103 -1.71673 26.1409 -50.1124 26.1409 -46.3561 GPRESSAVG: 1271000 37.9707 -57.2367 -51.4931 -56.9534 -0.644039 27.0059 -49.9908 24.3954 -46.1797 TIMING: 1271000 CPU: 3777.06, 0.00298263/step Wall: 3777.06, 0.00298263/step, 3.08951 hours remaining, 207.402344 MB of memory in use. ENERGY: 1271000 706.1837 2157.6727 1933.3747 121.8963 -206489.9273 17940.3160 0.0000 0.0000 34223.1776 -149407.3063 298.8795 -183630.4839 -149315.4896 298.8636 28.9423 65.4519 557398.5515 -2.8970 -2.9510 PRESSURE: 1271200 -134.228 -87.887 -13.3126 -87.8874 -89.3432 -26.1051 -13.3113 -26.1044 -165.661 GPRESSURE: 1271200 -119.843 39.1587 -104.389 -25.4701 -26.2578 7.71618 50.8838 -9.56027 -132.617 PRESSAVG: 1271200 -43.2808 27.7659 -34.146 27.7659 37.9568 6.20472 -34.1459 6.20455 17.9028 GPRESSAVG: 1271200 -43.4408 28.5754 -34.2235 27.6562 36.8588 5.75233 -33.9748 7.11992 19.7344 TIMING: 1271200 CPU: 3777.66, 0.0029926/step Wall: 3777.66, 0.0029926/step, 3.09967 hours remaining, 207.402344 MB of memory in use. ENERGY: 1271200 760.1646 2089.3699 1916.4896 115.1793 -206777.8986 18017.1854 0.0000 0.0000 34193.3991 -149686.1106 298.6195 -183879.5097 -149590.5134 298.2243 -129.7442 -92.9058 556957.0402 4.1930 4.3841 PRESSURE: 1271400 -85.5282 -12.8948 -61.3044 -12.8948 -176.962 50.797 -61.306 50.7966 -45.9899 GPRESSURE: 1271400 -28.0124 -56.3374 -115.491 12.7323 -191.737 5.23373 -50.1428 73.5441 10.3934 PRESSAVG: 1271400 3.49737 21.7573 -18.0137 21.7574 -47.2099 43.1984 -18.0137 43.1985 17.415 GPRESSAVG: 1271400 3.78151 22.2408 -16.8217 21.2551 -47.1981 42.6388 -18.4412 43.6105 17.003 TIMING: 1271400 CPU: 3778.26, 0.00297891/step Wall: 3778.26, 0.00297891/step, 3.08532 hours remaining, 207.402344 MB of memory in use. ENERGY: 1271400 747.4317 2097.1284 1932.9936 112.1907 -206544.3927 17817.1068 0.0000 0.0000 34201.6067 -149635.9347 298.6911 -183837.5414 -149539.7403 297.4104 -102.8265 -69.7855 556858.0131 -8.7658 -8.8045 PRESSURE: 1271600 -144.062 -59.3741 73.9514 -59.376 -221.774 -90.4955 73.9505 -90.4952 214.77 GPRESSURE: 1271600 -95.7892 5.86142 24.9472 -105.083 -197.698 -106.254 54.6856 -62.2887 242.872 PRESSAVG: 1271600 16.4859 -15.6864 33.3337 -15.6864 -43.3503 70.7675 33.3336 70.7675 -0.239077 GPRESSAVG: 1271600 16.6396 -14.5066 33.3045 -16.9099 -43.3312 71.2329 33.9768 70.0194 -0.710504 TIMING: 1271600 CPU: 3778.86, 0.00300171/step Wall: 3778.86, 0.00300171/step, 3.10877 hours remaining, 207.402344 MB of memory in use. ENERGY: 1271600 718.3250 2123.2596 1952.6282 113.0492 -206105.0394 17594.3768 0.0000 0.0000 34059.8433 -149543.5573 297.4531 -183603.4006 -149451.2342 298.2368 -50.3556 -16.8716 556770.0703 -9.0345 -9.1341 PRESSURE: 1271800 135.525 161.964 -54.5732 161.964 -15.0847 -74.8965 -54.5713 -74.8956 257.965 GPRESSURE: 1271800 180.956 94.5078 40.0803 140.704 -4.81674 -108.786 -77.5255 -48.5963 296.236 PRESSAVG: 1271800 -11.1429 14.3171 21.593 14.3172 -23.1989 -10.3073 21.593 -10.3074 18.5646 GPRESSAVG: 1271800 -11.2136 13.1158 20.689 15.7983 -23.0343 -9.86119 22.7887 -8.37804 18.6288 TIMING: 1271800 CPU: 3779.46, 0.0029843/step Wall: 3779.46, 0.0029843/step, 3.09058 hours remaining, 207.402344 MB of memory in use. ENERGY: 1271800 777.9104 2043.5625 1928.9311 105.5150 -206503.8123 18157.9166 0.0000 0.0000 34125.8186 -149364.1582 298.0293 -183489.9768 -149271.6883 298.6957 126.1351 157.4583 558324.5073 -5.2591 -5.2063 PRESSURE: 1272000 -275.712 -96.0489 -28.7929 -96.048 -26.2042 117.964 -28.7932 117.963 -133.94 GPRESSURE: 1272000 -210.417 -39.5755 -35.0252 -135.375 11.5365 96.3955 43.7314 135.215 -132.134 PRESSAVG: 1272000 -24.8807 -19.335 2.32913 -19.335 -82.3268 38.1206 2.3292 38.1205 78.2686 GPRESSAVG: 1272000 -24.1491 -19.9528 3.99007 -18.865 -82.3444 36.8799 -1.35796 37.2679 77.1365 TIMING: 1272000 CPU: 3780.05, 0.00297575/step Wall: 3780.05, 0.00297575/step, 3.08155 hours remaining, 207.402344 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: 1272000 744.6153 2056.3794 1935.5424 121.0553 -206057.0392 17597.2975 0.0000 0.0000 34344.1387 -149258.0106 299.9359 -183602.1493 -149172.2474 298.5160 -145.2852 -110.3382 557493.5974 -9.6463 -9.7856 PRESSURE: 1272200 -224.289 -55.8572 -72.7043 -55.8563 116.675 -29.702 -72.7041 -29.7026 -217.363 GPRESSURE: 1272200 -202.812 -174.715 -14.2411 -27.1225 199.853 14.6294 -102.88 -71.0939 -217.747 PRESSAVG: 1272200 76.1123 -8.97511 -76.3502 -8.97504 32.5375 -56.7 -76.3502 -56.7 -43.98 GPRESSAVG: 1272200 74.7562 -8.10736 -77.781 -9.53086 33.4056 -54.8327 -73.864 -57.2162 -43.137 TIMING: 1272200 CPU: 3780.65, 0.00298864/step Wall: 3780.65, 0.00298864/step, 3.09473 hours remaining, 207.402344 MB of memory in use. ENERGY: 1272200 767.3638 2081.0871 1944.4265 117.1319 -205870.0307 17616.3032 0.0000 0.0000 34134.8246 -149208.8936 298.1079 -183343.7182 -149111.0770 299.6734 -108.3253 -73.5686 555641.1836 21.5566 21.6749 LDB: ============= START OF LOAD BALANCING ============== 3784.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 3784.08 LDB: =============== DONE WITH MIGRATION ================ 3784.08 LDB: ============= START OF LOAD BALANCING ============== 3784.38 LDB: Largest compute 4821 load 0.031935 is 27.1% of average load 0.117995 LDB: Average compute 0.001713 is 1.5% of average load 0.117995 LDB: TIME 3784.38 LOAD: AVG 0.117995 MAX 0.198834 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.949 MB LDB: TIME 3784.38 LOAD: AVG 0.117995 MAX 0.198834 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.949 MB LDB: TIME 3784.38 LOAD: AVG 0.117995 MAX 0.198834 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3784.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3784.39 PRESSURE: 1272400 -268.044 17.9468 -129.812 17.9473 -332.414 276.178 -129.811 276.18 -200.304 GPRESSURE: 1272400 -189.702 15.1846 -96.7151 42.6196 -329.675 267.74 -102.044 292.024 -189.909 PRESSAVG: 1272400 23.752 -10.3708 -21.8555 -10.3708 -24.138 -9.38065 -21.8556 -9.38072 -2.71671 GPRESSAVG: 1272400 25.2591 -10.3607 -20.2433 -11.3159 -24.3489 -12.0654 -22.7208 -7.28308 -4.03566 TIMING: 1272400 CPU: 3781.26, 0.00306295/step Wall: 3781.26, 0.00306295/step, 3.17152 hours remaining, 207.140625 MB of memory in use. ENERGY: 1272400 714.1880 2133.3127 1940.2569 116.2392 -205462.7029 17277.4478 0.0000 0.0000 34108.0776 -149173.1808 297.8743 -183281.2583 -149081.6793 299.6011 -266.9208 -236.4283 557208.2523 -1.0342 -1.0418 PRESSURE: 1272600 -85.3409 12.4041 83.5086 12.4049 -3.90068 46.1071 83.5081 46.1078 -244.512 GPRESSURE: 1272600 -77.6901 -45.5133 33.1785 -13.7993 -10.5555 119.687 37.2268 37.9952 -151.186 PRESSAVG: 1272600 54.1632 3.54925 2.84065 3.54929 49.9786 -16.9253 2.84059 -16.9252 -79.6491 GPRESSAVG: 1272600 54.9709 2.57995 2.13051 5.63393 48.8259 -13.5069 3.52865 -19.1853 -79.2194 TIMING: 1272600 CPU: 3781.86, 0.0029797/step Wall: 3781.86, 0.0029797/step, 3.08515 hours remaining, 207.343750 MB of memory in use. ENERGY: 1272600 739.0894 2016.6264 1932.3435 116.0288 -206171.2005 17650.6970 0.0000 0.0000 34199.4020 -149517.0134 298.6719 -183716.4154 -149416.9407 298.7301 -111.2510 -79.8106 556811.3376 8.1642 8.1925 PRESSURE: 1272800 -7.52777 74.6514 -100.158 74.6501 -113.886 -76.8342 -100.158 -76.8371 -55.8402 GPRESSURE: 1272800 -3.81863 119.045 -105.124 51.2059 -91.422 -5.20067 -137.959 -123.493 16.4959 PRESSAVG: 1272800 -41.6881 31.8884 6.73976 31.8884 44.2299 17.634 6.73969 17.6341 4.28068 GPRESSAVG: 1272800 -43.4013 30.0777 8.55841 32.8725 45.1693 17.5593 5.27575 18.8856 4.4834 TIMING: 1272800 CPU: 3782.45, 0.00296395/step Wall: 3782.45, 0.00296395/step, 3.06867 hours remaining, 207.343750 MB of memory in use. ENERGY: 1272800 756.5614 2097.0112 1979.0916 123.3811 -206680.6453 17933.1410 0.0000 0.0000 34125.9141 -149665.5448 298.0301 -183791.4590 -149565.7103 298.9451 -59.0846 -26.2482 556842.8732 2.2741 2.0838 PRESSURE: 1273000 -74.6527 85.0743 95.871 85.0749 -319.399 63.0049 95.8707 63.0061 -265.673 GPRESSURE: 1273000 -94.5127 78.9583 124.875 106.856 -309.531 -11.5671 98.679 79.2886 -146.003 PRESSAVG: 1273000 13.987 18.3739 58.1142 18.3739 7.80531 -41.0275 58.1142 -41.0274 35.0946 GPRESSAVG: 1273000 13.6752 20.2473 57.8406 17.7881 8.47376 -43.2598 56.6765 -39.7032 34.4987 TIMING: 1273000 CPU: 3783.05, 0.00298369/step Wall: 3783.05, 0.00298369/step, 3.08895 hours remaining, 207.343750 MB of memory in use. ENERGY: 1273000 741.2699 2163.0889 1945.0108 123.8185 -206090.8642 17450.2322 0.0000 0.0000 34435.0092 -149232.4348 300.7295 -183667.4440 -149131.3010 298.7363 -219.9080 -183.3490 556624.8035 18.9623 18.8826 PRESSURE: 1273200 -237.34 -60.6991 -9.43224 -60.6999 -37.135 67.172 -9.43272 67.1713 -233.512 GPRESSURE: 1273200 -214.946 -86.2662 -38.3986 10.9434 6.17793 23.0455 -33.7812 92.2009 -205.047 PRESSAVG: 1273200 -37.1005 -76.3193 25.0576 -76.3193 33.9872 -27.4654 25.0577 -27.4655 -30.4612 GPRESSAVG: 1273200 -37.1885 -78.4793 23.7582 -77.4305 33.8651 -26.3399 26.6648 -28.7128 -30.7343 TIMING: 1273200 CPU: 3783.64, 0.00297439/step Wall: 3783.64, 0.00297439/step, 3.07916 hours remaining, 207.343750 MB of memory in use. ENERGY: 1273200 747.8063 2085.9699 1911.9548 120.7312 -205683.4280 17433.3069 0.0000 0.0000 34085.0246 -149298.6344 297.6730 -183383.6590 -149202.9044 298.1366 -169.3291 -137.9382 557437.0797 -11.1915 -11.3526 PRESSURE: 1273400 -41.905 -46.557 -170.381 -46.5573 -367.609 120.384 -170.382 120.384 -151.909 GPRESSURE: 1273400 -5.54205 -51.105 -126.552 -19.5761 -314.224 175.295 -214.348 136.116 -141.872 PRESSAVG: 1273400 -58.8805 -53.6284 39.2122 -53.6284 67.4918 42.7991 39.2122 42.7991 19.3117 GPRESSAVG: 1273400 -58.6902 -53.2157 38.062 -54.6819 66.3 41.4652 40.3825 43.3174 20.1804 TIMING: 1273400 CPU: 3784.24, 0.00297058/step Wall: 3784.24, 0.00297058/step, 3.07504 hours remaining, 207.343750 MB of memory in use. ENERGY: 1273400 749.2917 2071.8724 1966.9639 112.2978 -206134.6699 17631.0810 0.0000 0.0000 34199.1687 -149403.9943 298.6698 -183603.1630 -149312.0814 298.6319 -187.1409 -153.8795 557443.5721 9.3076 9.2634 PRESSURE: 1273600 -120.164 -137.977 10.1706 -137.977 -5.88381 -117.568 10.1713 -117.568 -126.43 GPRESSURE: 1273600 -140.771 -45.6399 -49.4413 -166.867 37.0484 -141.546 5.43099 -135.67 -52.9329 PRESSAVG: 1273600 -33.4555 8.47151 8.93945 8.4714 42.544 2.10039 8.93947 2.10015 -26.497 GPRESSAVG: 1273600 -33.1358 9.62171 9.03526 8.98659 42.7016 2.66677 9.48831 3.51807 -26.8537 TIMING: 1273600 CPU: 3784.84, 0.00300126/step Wall: 3784.84, 0.00300126/step, 3.10664 hours remaining, 207.343750 MB of memory in use. ENERGY: 1273600 754.6108 2095.5916 1954.8116 112.6088 -205939.6184 17619.4301 0.0000 0.0000 33982.1031 -149420.4624 296.7742 -183402.5655 -149325.0096 298.3807 -84.1593 -52.2185 556244.4736 -5.8028 -5.7627 PRESSURE: 1273800 -256.183 215.712 -138.13 215.712 -190.489 -44.799 -138.129 -44.7979 -63.9959 GPRESSURE: 1273800 -261.239 234.581 -119.249 149.998 -138.718 -59.8154 -134.028 14.2741 -19.8007 PRESSAVG: 1273800 -30.6379 43.4975 16.3685 43.4975 66.7556 -7.39416 16.3685 -7.39411 3.28252 GPRESSAVG: 1273800 -31.5217 43.3386 16.8991 44.1021 66.8554 -7.07034 15.5889 -7.42408 3.96883 TIMING: 1273800 CPU: 3785.43, 0.00299209/step Wall: 3785.43, 0.00299209/step, 3.09698 hours remaining, 207.343750 MB of memory in use. ENERGY: 1273800 747.5132 2129.0818 1959.7134 126.2713 -205656.1626 17427.1634 0.0000 0.0000 34100.5538 -149165.8657 297.8086 -183266.4195 -149065.2022 298.9333 -170.2226 -139.9193 556266.0611 13.1334 13.1008 PRESSURE: 1274000 -65.5146 -1.9519 -105.657 -1.95014 -175.365 -14.3085 -105.658 -14.3086 -330.114 GPRESSURE: 1274000 -70.8359 29.1405 -110.68 8.86967 -137.102 -99.6728 -97.1154 70.5851 -272.443 PRESSAVG: 1274000 26.8573 -28.4893 -38.0396 -28.4893 22.6752 6.38569 -38.0397 6.38559 -11.1161 GPRESSAVG: 1274000 26.0567 -29.0299 -35.8751 -28.6743 24.2545 4.01242 -38.0749 5.817 -12.2048 TIMING: 1274000 CPU: 3786.03, 0.0029963/step Wall: 3786.03, 0.0029963/step, 3.10117 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: 1274000 766.0515 2124.4613 1966.5690 117.8660 -205657.9123 17327.5501 0.0000 0.0000 34218.2314 -149137.1832 298.8363 -183355.4145 -149035.7069 299.3884 -190.3309 -160.1269 557430.3942 12.8054 12.7021 PRESSURE: 1274200 -38.0221 307.98 -86.8651 307.982 -66.2524 58.3632 -86.8652 58.364 -142.95 GPRESSURE: 1274200 -29.3756 254.731 -142.073 282.659 -71.9425 47.8145 27.5013 13.9441 -46.5616 PRESSAVG: 1274200 48.4452 42.8388 -47.1833 42.8388 -71.3864 -42.9892 -47.1833 -42.9893 35.9922 GPRESSAVG: 1274200 49.3764 41.6597 -51.6677 44.8004 -73.0109 -41.4765 -46.7081 -45.3958 36.708 TIMING: 1274200 CPU: 3786.64, 0.00301525/step Wall: 3786.64, 0.00301525/step, 3.12062 hours remaining, 207.343750 MB of memory in use. ENERGY: 1274200 744.0385 2123.9065 1950.1992 130.1877 -206206.0854 17792.4957 0.0000 0.0000 34508.8503 -148956.4074 301.3744 -183465.2576 -148860.2408 299.4709 -82.4083 -49.2932 556841.5451 4.3503 4.3578 PRESSURE: 1274400 60.3053 5.20142 -60.3361 5.20135 -102.827 -120.157 -60.3365 -120.159 157.134 GPRESSURE: 1274400 121.256 83.7212 -46.667 -28.8889 -88.4279 -142.66 15.8884 -199.031 193.977 PRESSAVG: 1274400 41.738 6.28138 -46.2368 6.28128 -1.13063 19.4502 -46.2369 19.4502 -47.6161 GPRESSAVG: 1274400 42.0682 6.74626 -42.1576 4.22341 0.57325 18.7931 -46.568 21.6129 -49.5211 TIMING: 1274400 CPU: 3787.24, 0.00301212/step Wall: 3787.24, 0.00301212/step, 3.11721 hours remaining, 207.343750 MB of memory in use. ENERGY: 1274400 736.7533 2083.0356 1929.1159 125.9667 -205955.7941 17928.1747 0.0000 0.0000 34215.3007 -148937.4471 298.8107 -183152.7479 -148845.7569 299.1937 38.2041 75.6018 557275.5754 -2.3362 -2.2932 PRESSURE: 1274600 -102.214 -32.4207 -178.763 -32.4205 -84.4256 90.3268 -178.761 90.3251 -354.699 GPRESSURE: 1274600 -108.996 -77.2527 -173.454 -12.1165 -45.7439 38.0217 -136.338 70.5986 -287.341 PRESSAVG: 1274600 8.61677 0.852445 -34.7102 0.852448 13.5831 34.4969 -34.71 34.497 19.6881 GPRESSAVG: 1274600 8.14423 1.3405 -35.8632 2.66854 12.7105 33.4206 -35.6312 34.3877 21.0996 TIMING: 1274600 CPU: 3787.84, 0.00298377/step Wall: 3787.84, 0.00298377/step, 3.0877 hours remaining, 207.343750 MB of memory in use. ENERGY: 1274600 728.3575 2075.5667 1955.1431 111.5643 -205397.6772 17418.7354 0.0000 0.0000 34288.8969 -148819.4133 299.4535 -183108.3102 -148717.5628 300.3536 -180.4463 -147.3602 557861.5888 13.9627 13.9848 PRESSURE: 1274800 86.0785 -11.3333 54.2875 -11.3337 286.32 51.5031 54.2877 51.5046 -128.225 GPRESSURE: 1274800 172.366 44.3505 97.3508 25.4968 280.301 40.0965 42.8257 15.9088 -118.886 PRESSAVG: 1274800 -37.9583 -45.7765 -76.2108 -45.7766 11.8397 14.7806 -76.2107 14.7806 -21.4157 GPRESSAVG: 1274800 -37.846 -45.7812 -75.7062 -45.8308 11.9137 16.0365 -74.5687 16.2557 -21.5409 TIMING: 1274800 CPU: 3788.43, 0.002965/step Wall: 3788.43, 0.002965/step, 3.06812 hours remaining, 207.343750 MB of memory in use. ENERGY: 1274800 767.1978 2103.0375 1972.5130 110.1688 -205609.0002 17576.5635 0.0000 0.0000 34342.9223 -148736.5973 299.9253 -183079.5196 -148641.3174 300.2255 81.3913 111.2606 556051.0544 -15.8448 -15.8244 PRESSURE: 1275000 -173.576 49.3823 37.8452 49.3822 -4.6186 -203.417 37.8451 -203.416 -5.8875 GPRESSURE: 1275000 -137.789 97.1025 63.9143 39.6751 6.52883 -193.249 60.8995 -237.06 39.3542 PRESSAVG: 1275000 9.67362 20.7105 11.2406 20.7105 -19.9478 -19.2038 11.2405 -19.2039 55.5464 GPRESSAVG: 1275000 10.5459 19.7037 9.38786 20.7712 -20.359 -17.6802 11.6372 -21.2925 54.9705 TIMING: 1275000 CPU: 3789.02, 0.00296926/step Wall: 3789.02, 0.00296926/step, 3.07236 hours remaining, 207.343750 MB of memory in use. ENERGY: 1275000 739.4462 2109.4557 1945.9146 108.4706 -206083.3055 17807.9936 0.0000 0.0000 34482.6364 -148889.3885 301.1454 -183372.0248 -148789.3531 300.4791 -61.3605 -30.6352 557058.0187 15.0908 15.0525 PRESSURE: 1275200 -94.2591 24.4717 91.3908 24.4716 237.792 -56.9401 91.3903 -56.9385 10.4482 GPRESSURE: 1275200 -5.68882 5.57555 77.0383 17.2393 229.921 27.6229 161.585 -43.0035 35.2438 PRESSAVG: 1275200 -92.6321 -15.2258 9.45484 -15.2258 63.5351 -1.20178 9.45485 -1.20175 6.00029 GPRESSAVG: 1275200 -93.2681 -11.9426 11.1652 -17.8312 64.0142 -0.777719 7.75138 -1.95664 6.85568 TIMING: 1275200 CPU: 3789.62, 0.00297158/step Wall: 3789.62, 0.00297158/step, 3.0746 hours remaining, 207.343750 MB of memory in use. ENERGY: 1275200 742.3612 2106.8982 1933.3942 106.4581 -206092.1130 17712.1442 0.0000 0.0000 34612.4842 -148878.3730 302.2794 -183490.8572 -148778.7557 300.1210 51.3271 86.4920 555959.7853 -7.6989 -7.4661 PRESSURE: 1275400 76.3928 132.23 -53.6492 132.228 111.502 49.055 -53.6494 49.0546 48.8811 GPRESSURE: 1275400 131.137 29.2129 -57.8628 188.018 79.0918 52.3819 11.2718 38.6564 130.557 PRESSAVG: 1275400 -5.35484 -8.92226 -25.0966 -8.9223 15.467 1.2953 -25.0964 1.29531 45.327 GPRESSAVG: 1275400 -6.27466 -10.7786 -24.2801 -7.0444 15.1947 0.281378 -25.6895 1.49182 46.656 TIMING: 1275400 CPU: 3790.22, 0.00299267/step Wall: 3790.22, 0.00299267/step, 3.09625 hours remaining, 207.343750 MB of memory in use. ENERGY: 1275400 698.1334 2125.1645 1944.8027 115.7424 -205858.9556 17728.4073 0.0000 0.0000 34366.1255 -148880.5797 300.1279 -183246.7053 -148787.1570 300.8965 78.9253 113.5951 557860.4402 18.4797 18.5253 PRESSURE: 1275600 132.771 -154.268 144.578 -154.266 71.0366 -11.8836 144.577 -11.8848 137.769 GPRESSURE: 1275600 135.563 -165.815 112.858 -128.85 154.581 -2.43281 171.602 14.6225 143.584 PRESSAVG: 1275600 -18.4429 39.5549 -13.5886 39.5549 30.0629 -2.8766 -13.5886 -2.87656 15.9431 GPRESSAVG: 1275600 -17.5145 39.9474 -14.8137 39.4354 31.5319 -4.65278 -12.4214 -1.30289 14.1781 TIMING: 1275600 CPU: 3790.81, 0.00298474/step Wall: 3790.81, 0.00298474/step, 3.08788 hours remaining, 207.343750 MB of memory in use. ENERGY: 1275600 740.2029 2057.9468 1953.4315 109.0439 -206108.7267 17742.8170 0.0000 0.0000 34526.4394 -148978.8453 301.5280 -183505.2847 -148876.3967 300.9907 113.8590 144.5762 555846.2550 9.1877 9.3985 PRESSURE: 1275800 17.6057 -52.5579 118.794 -52.5573 -148.696 23.5663 118.796 23.5653 -203.166 GPRESSURE: 1275800 39.9257 3.15702 91.0198 -11.4648 -91.0801 72.1146 132.901 49.222 -179.269 PRESSAVG: 1275800 66.246 -17.4522 -12.9606 -17.4523 -56.7951 52.1412 -12.9606 52.1414 -53.7357 GPRESSAVG: 1275800 66.1739 -17.6018 -12.256 -16.8773 -57.8426 55.7243 -12.0666 51.8885 -52.7612 TIMING: 1275800 CPU: 3791.41, 0.00298029/step Wall: 3791.41, 0.00298029/step, 3.08311 hours remaining, 207.343750 MB of memory in use. ENERGY: 1275800 714.7790 2107.5638 1956.4282 123.6797 -205873.7220 17666.0981 0.0000 0.0000 34196.4406 -149108.7327 298.6460 -183305.1733 -149007.6494 299.5593 -111.4187 -76.8078 558189.6902 -14.7616 -14.8100 PRESSURE: 1276000 -110.402 -49.4165 -5.80871 -49.4175 -94.0053 53.1853 -5.80874 53.1839 71.3882 GPRESSURE: 1276000 -103.313 -32.5574 61.1867 -57.8493 -95.4214 60.9021 -128.036 -6.51606 167.639 PRESSAVG: 1276000 -8.23593 -1.54191 2.0646 -1.54187 -5.06826 -18.5984 2.06464 -18.5984 -30.8748 GPRESSAVG: 1276000 -8.4942 -1.33055 0.764918 -3.87467 -4.64351 -19.1537 0.173492 -20.2756 -30.7303 TIMING: 1276000 CPU: 3792.01, 0.00297941/step Wall: 3792.01, 0.00297941/step, 3.08203 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: 1276000 787.9585 2028.3563 1947.1321 118.8053 -206352.5856 17895.4248 0.0000 0.0000 34413.9356 -149160.9728 300.5455 -183574.9085 -149068.5858 300.1024 -44.3396 -10.3651 558209.4872 -14.7263 -14.6227 PRESSURE: 1276200 131.958 -44.6129 -16.1254 -44.6134 108.828 91.2229 -16.1257 91.2226 36.8508 GPRESSURE: 1276200 123.676 -65.9421 -76.4789 -68.7211 130.391 13.2978 -50.1825 242.892 126.341 PRESSAVG: 1276200 -39.2766 -26.1845 -69.9627 -26.1843 -12.125 15.3687 -69.9626 15.3688 55.4741 GPRESSAVG: 1276200 -38.5236 -26.815 -69.5681 -26.0148 -12.9023 12.3757 -69.4038 17.9425 55.6125 TIMING: 1276200 CPU: 3792.6, 0.00297238/step Wall: 3792.6, 0.00297238/step, 3.0746 hours remaining, 207.343750 MB of memory in use. ENERGY: 1276200 724.9560 2127.5123 1912.7065 121.7032 -205941.5096 17756.5631 0.0000 0.0000 34191.2752 -149106.7933 298.6009 -183298.0686 -149019.7391 299.5609 92.5457 126.8025 556873.7272 1.3575 1.3955 LDB: ============= START OF LOAD BALANCING ============== 3796.03 LDB: ============== END OF LOAD BALANCING =============== 3796.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3796.03 LDB: ============= START OF LOAD BALANCING ============== 3796.32 LDB: Largest compute 4821 load 0.031211 is 26.5% of average load 0.117946 LDB: Average compute 0.001709 is 1.4% of average load 0.117946 LDB: TIME 3796.33 LOAD: AVG 0.117946 MAX 0.193822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.266 MB LDB: TIME 3796.33 LOAD: AVG 0.117946 MAX 0.193822 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.469 MB LDB: TIME 3796.33 LOAD: AVG 0.117946 MAX 0.193822 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.469 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3796.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3796.33 PRESSURE: 1276400 -243.487 -43.8987 -33.3947 -43.8998 -227.152 205.934 -33.3939 205.934 -54.8799 GPRESSURE: 1276400 -212.655 -30.0452 -37.3828 -62.4978 -231.362 183.38 19.1276 243.688 29.6436 PRESSAVG: 1276400 -12.1281 -59.9799 -27.822 -59.9799 17.1614 55.1988 -27.822 55.1988 7.19069 GPRESSAVG: 1276400 -12.3422 -61.1079 -28.4792 -56.8188 16.9781 57.5616 -27.7884 54.7948 7.48366 TIMING: 1276400 CPU: 3793.2, 0.00301217/step Wall: 3793.2, 0.00301217/step, 3.11559 hours remaining, 206.949219 MB of memory in use. ENERGY: 1276400 741.6931 2070.5697 1958.9512 105.6617 -205784.6854 17572.8628 0.0000 0.0000 34151.0060 -149183.9409 298.2492 -183334.9469 -149084.5107 299.3180 -175.1728 -138.1245 558584.4307 4.0746 4.0399 PRESSURE: 1276600 162.957 87.5425 -57.3782 87.5426 -108.724 -166.553 -57.3771 -166.554 -88.5876 GPRESSURE: 1276600 115 -47.9296 15.6565 172.185 -26.7713 -79.3666 -83.8869 -122.409 -33.8288 PRESSAVG: 1276600 80.1574 2.78428 -25.7758 2.78426 -30.6923 22.2026 -25.7758 22.2025 -47.8483 GPRESSAVG: 1276600 79.7839 5.72282 -25.773 0.397259 -29.5494 23.0463 -26.7462 21.1903 -48.8192 TIMING: 1276600 CPU: 3793.79, 0.00296317/step Wall: 3793.79, 0.00296317/step, 3.06474 hours remaining, 207.019531 MB of memory in use. ENERGY: 1276600 735.3513 2099.7099 1917.6312 117.7819 -206180.9109 17769.6113 0.0000 0.0000 34417.6880 -149123.1374 300.5782 -183540.8253 -149030.2498 300.2882 -11.4515 18.1334 557293.7450 0.5390 0.4718 PRESSURE: 1276800 -120.842 97.2367 -36.6718 97.2376 17.262 66.3689 -36.671 66.3687 -3.96265 GPRESSURE: 1276800 -40.8168 56.8633 -117.394 134.123 40.7654 100.804 30.7217 95.8926 -10.7571 PRESSAVG: 1276800 71.0308 -5.83021 -16.1693 -5.83027 -25.8738 2.25906 -16.1693 2.25913 -19.6279 GPRESSAVG: 1276800 71.1713 -7.05136 -16.0048 -5.27392 -26.8144 2.3141 -14.8966 -0.0336282 -18.8182 TIMING: 1276800 CPU: 3794.39, 0.00297663/step Wall: 3794.39, 0.00297663/step, 3.0785 hours remaining, 207.019531 MB of memory in use. ENERGY: 1276800 705.5941 2066.7815 1952.3799 105.1047 -205797.0503 17691.9298 0.0000 0.0000 34314.1781 -148961.0822 299.6743 -183275.2604 -148873.6345 300.1180 -35.8476 -3.6028 557904.5282 8.5097 8.5129 PRESSURE: 1277000 96.3014 -114.474 -200.502 -114.472 53.734 103.011 -200.501 103.011 80.061 GPRESSURE: 1277000 144.975 -246.278 -105.657 -34.0007 95.4334 112.6 -283.279 93.6735 93.3691 PRESSAVG: 1277000 -37.196 -36.8929 37.3835 -36.8929 18.7158 -53.8316 37.3836 -53.8316 25.8539 GPRESSAVG: 1277000 -36.4422 -37.8236 37.9137 -36.3605 18.6829 -57.076 37.5831 -51.9422 24.5986 TIMING: 1277000 CPU: 3794.99, 0.00298547/step Wall: 3794.99, 0.00298547/step, 3.08748 hours remaining, 207.019531 MB of memory in use. ENERGY: 1277000 725.4508 2080.7771 1919.5565 99.1918 -206301.4825 17941.4957 0.0000 0.0000 34460.1270 -149074.8835 300.9489 -183535.0105 -148977.6001 300.3011 76.6988 111.2592 557377.5501 2.4579 2.2798 PRESSURE: 1277200 -107.912 76.7209 -122.056 76.7207 27.8664 28.3261 -122.056 28.3276 25.1317 GPRESSURE: 1277200 -86.539 3.96835 -36.219 144.087 31.3597 108.789 -68.3975 -60.2073 96.2216 PRESSAVG: 1277200 57.3884 -38.2239 9.87335 -38.2241 -80.5257 63.6823 9.87336 63.6823 21.8381 GPRESSAVG: 1277200 56.784 -37.7317 10.6385 -37.9042 -80.485 63.5147 8.86087 65.3132 22.5837 TIMING: 1277200 CPU: 3795.58, 0.00297358/step Wall: 3795.58, 0.00297358/step, 3.07502 hours remaining, 207.019531 MB of memory in use. ENERGY: 1277200 757.8798 2079.4014 1915.8299 111.9008 -206135.7070 17856.0993 0.0000 0.0000 34445.5507 -148969.0451 300.8216 -183414.5958 -148872.5156 299.3267 -18.3048 13.6808 558527.0765 -0.4330 -0.3724 PRESSURE: 1277400 142.26 -65.5638 10.9478 -65.564 -54.3744 -68.7341 10.9476 -68.7361 24.6696 GPRESSURE: 1277400 159.096 -59.1517 14.9146 -102.049 9.35508 -89.7995 77.7073 -27.2392 38.6433 PRESSAVG: 1277400 88.571 78.1143 -41.7697 78.1144 -81.8904 -4.4552 -41.7697 -4.45509 -9.62506 GPRESSAVG: 1277400 88.3331 77.2365 -44.9358 77.6637 -81.0389 -3.2058 -41.0061 -5.83575 -9.86025 TIMING: 1277400 CPU: 3796.18, 0.00298007/step Wall: 3796.18, 0.00298007/step, 3.08156 hours remaining, 207.019531 MB of memory in use. ENERGY: 1277400 786.1616 2011.9917 1942.9802 117.4413 -205926.5456 17903.8439 0.0000 0.0000 34221.8996 -148942.2272 298.8684 -183164.1268 -148849.8311 300.3680 37.5184 69.0315 557089.8154 -0.9815 -0.8554 PRESSURE: 1277600 -184.842 9.56922 -132.802 9.57153 -191.17 -199.862 -132.803 -199.863 -47.2994 GPRESSURE: 1277600 -178.782 -46.2379 -132.194 51.1411 -147.981 -207.684 -124.984 -166.99 -6.22788 PRESSAVG: 1277600 -24.133 43.4346 16.0429 43.4346 -59.4642 44.0756 16.0429 44.0756 51.1733 GPRESSAVG: 1277600 -24.1989 43.4553 16.5161 45.3585 -59.7431 45.184 17.2019 45.524 51.8403 TIMING: 1277600 CPU: 3796.77, 0.00298526/step Wall: 3796.77, 0.00298526/step, 3.08676 hours remaining, 207.019531 MB of memory in use. ENERGY: 1277600 745.5417 2074.8696 1946.1008 108.0539 -205840.6061 17625.9097 0.0000 0.0000 34424.6427 -148915.4877 300.6390 -183340.1304 -148813.9986 299.7960 -141.1039 -110.9969 558141.3369 -10.8079 -10.7006 PRESSURE: 1277800 -35.1829 34.0544 -52.1448 34.0547 -111.956 49.7007 -52.1445 49.7003 -202.226 GPRESSURE: 1277800 0.880115 7.35248 -78.8412 34.8561 -85.6782 22.1802 -14.0575 -48.6225 -168.975 PRESSAVG: 1277800 -51.1344 27.4494 15.096 27.4494 60.7817 14.9051 15.0961 14.905 -8.56215 GPRESSAVG: 1277800 -50.4983 25.7342 15.8117 26.6602 60.3765 15.4594 14.4642 12.1957 -8.34174 TIMING: 1277800 CPU: 3797.37, 0.00299692/step Wall: 3797.37, 0.00299692/step, 3.09865 hours remaining, 207.019531 MB of memory in use. ENERGY: 1277800 759.9855 2097.5896 1947.4546 112.3588 -205743.1345 17680.9513 0.0000 0.0000 34319.7540 -148825.0408 299.7229 -183144.7948 -148720.8155 300.3618 -116.4551 -84.5909 558011.0135 0.3617 0.5122 PRESSURE: 1278000 -41.162 16.8882 -91.5584 16.8884 -320.472 78.1571 -91.5583 78.1575 28.475 GPRESSURE: 1278000 -21.777 99.6899 -59.7167 76.2682 -259.581 46.1673 -91.7798 110.762 51.1216 PRESSAVG: 1278000 37.4162 65.8078 -11.4264 65.8078 -17.1102 -13.81 -11.4264 -13.8101 33.7799 GPRESSAVG: 1278000 36.4135 68.4283 -10.4093 64.8673 -16.5664 -11.2243 -11.1882 -11.3741 33.5925 TIMING: 1278000 CPU: 3797.97, 0.00299956/step Wall: 3797.97, 0.00299956/step, 3.10121 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: 1278000 741.8131 2106.5240 1962.4166 112.9508 -205688.7902 17513.8106 0.0000 0.0000 34408.2759 -148842.9992 300.4960 -183251.2751 -148740.9902 301.0992 -111.0530 -76.7453 557123.4792 18.0286 17.8132 PRESSURE: 1278200 -30.654 -99.1323 -44.952 -99.1336 -91.1453 -29.2962 -44.9519 -29.2974 -67.4865 GPRESSURE: 1278200 9.20383 -45.9858 -110.656 -97.821 -55.0817 -61.7519 -50.5674 7.08192 -36.4758 PRESSAVG: 1278200 52.1469 74.3163 7.46997 74.3164 -41.0962 20.1982 7.46989 20.1982 0.688871 GPRESSAVG: 1278200 52.4937 75.2873 6.06795 74.3778 -41.2095 17.3876 6.94022 20.8763 0.315171 TIMING: 1278200 CPU: 3798.58, 0.00300506/step Wall: 3798.58, 0.00300506/step, 3.10673 hours remaining, 207.019531 MB of memory in use. ENERGY: 1278200 754.1465 2131.4159 1955.4644 118.3024 -205878.9501 17686.7180 0.0000 0.0000 34291.3281 -148941.5748 299.4747 -183232.9029 -148848.8353 300.3189 -63.0952 -27.4512 558259.8164 3.9132 3.8665 PRESSURE: 1278400 -291.566 -62.6836 53.9795 -62.6817 -77.9501 -60.6177 53.9793 -60.6181 -408.719 GPRESSURE: 1278400 -239.732 -83.6008 134.785 -36.6129 -94.6127 -94.3928 30.488 -21.6811 -355.768 PRESSAVG: 1278400 -41.4052 -17.1593 9.9591 -17.1593 12.3841 -21.9169 9.95909 -21.917 -21.8499 GPRESSAVG: 1278400 -42.1047 -20.1388 11.0402 -16.6146 11.7571 -20.5441 9.65824 -23.8942 -20.9225 TIMING: 1278400 CPU: 3799.17, 0.00299067/step Wall: 3799.17, 0.00299067/step, 3.09169 hours remaining, 207.019531 MB of memory in use. ENERGY: 1278400 758.8558 2139.3615 1960.5407 121.6450 -205590.6623 17287.9878 0.0000 0.0000 34476.4851 -148845.7863 301.0917 -183322.2714 -148756.1741 299.8223 -259.4118 -230.0376 558790.5392 -16.9570 -17.0900 PRESSURE: 1278600 208.26 66.8909 -44.7954 66.8897 27.8215 217.538 -44.7943 217.538 -130.473 GPRESSURE: 1278600 208.117 106.975 -151.727 20.8813 67.81 162.452 -36.5921 229.242 -76.0197 PRESSAVG: 1278600 2.60058 -29.25 -44.73 -29.2501 -0.903844 13.9026 -44.73 13.9027 1.93118 GPRESSAVG: 1278600 0.508603 -27.3724 -45.2851 -30.5295 0.0560409 11.5284 -46.2558 15.0973 2.65176 TIMING: 1278600 CPU: 3799.77, 0.00298893/step Wall: 3799.77, 0.00298893/step, 3.08973 hours remaining, 207.019531 MB of memory in use. ENERGY: 1278600 738.0247 2109.9964 1981.4409 107.5950 -206147.3004 17873.5389 0.0000 0.0000 34337.6532 -148999.0512 299.8793 -183336.7044 -148906.3704 300.4159 35.2026 66.6357 557647.9680 1.2093 1.0721 PRESSURE: 1278800 -228.333 -32.2172 96.6954 -32.218 -87.2284 -85.7492 96.6954 -85.7496 49.1974 GPRESSURE: 1278800 -224.213 -22.2991 39.0997 -70.8076 -74.305 -64.1979 151.454 -34.1905 128.152 PRESSAVG: 1278800 -3.32174 39.104 -46.931 39.1041 67.9746 -35.7349 -46.931 -35.7348 -32.739 GPRESSAVG: 1278800 -2.39835 39.4446 -46.1097 38.8358 66.9592 -36.2494 -46.2881 -34.4597 -33.0104 TIMING: 1278800 CPU: 3800.37, 0.00298293/step Wall: 3800.37, 0.00298293/step, 3.08336 hours remaining, 207.019531 MB of memory in use. ENERGY: 1278800 741.5191 2196.8080 1934.4504 110.9075 -205740.2800 17755.8336 0.0000 0.0000 34175.2368 -148825.5246 298.4608 -183000.7614 -148737.7595 300.7070 -88.7881 -56.7885 559984.6539 10.6380 10.5168 PRESSURE: 1279000 -18.2152 -50.8624 -53.5482 -50.8615 13.3536 119.935 -53.5471 119.935 -68.1072 GPRESSURE: 1279000 50.302 -141.567 37.0025 18.7655 58.6319 185.357 -85.7238 107.693 -64.9274 PRESSAVG: 1279000 -69.9407 34.457 -0.451046 34.4571 12.7763 -11.0746 -0.451076 -11.0745 3.31665 GPRESSAVG: 1279000 -70.0868 33.3769 -1.11289 36.5145 13.5451 -9.93233 -0.366069 -12.8629 2.82798 TIMING: 1279000 CPU: 3800.97, 0.00300075/step Wall: 3800.97, 0.00300075/step, 3.1016 hours remaining, 207.019531 MB of memory in use. ENERGY: 1279000 761.7200 2110.7007 1915.0686 109.9176 -206026.1990 17766.8763 0.0000 0.0000 34511.5527 -148850.3630 301.3980 -183361.9157 -148750.9106 301.2022 -24.3229 14.6688 557001.8528 -17.9492 -17.9046 PRESSURE: 1279200 -49.3615 -85.5145 -76.0258 -85.5141 -107.052 -11.1909 -76.0252 -11.1908 -51.5886 GPRESSURE: 1279200 6.81821 -43.9868 -130.356 -70.0246 -60.9664 -62.9053 -67.1163 2.58471 -46.2828 PRESSAVG: 1279200 4.10081 0.592408 -18.0217 0.592506 38.7431 48.8558 -18.0216 48.8558 -27.1271 GPRESSAVG: 1279200 5.38927 0.85493 -19.3338 1.11194 37.3886 48.2646 -17.6066 51.8187 -27.1761 TIMING: 1279200 CPU: 3801.56, 0.002982/step Wall: 3801.56, 0.002982/step, 3.08207 hours remaining, 207.019531 MB of memory in use. ENERGY: 1279200 757.8168 2046.0151 1957.3018 118.0565 -205839.8134 17627.7546 0.0000 0.0000 34322.2966 -149010.5719 299.7452 -183332.8685 -148911.8567 300.6870 -69.3340 -33.4770 558163.6822 5.2389 5.2006 PRESSURE: 1279400 -207.849 -11.4498 -87.0488 -11.4495 -70.1829 -116.454 -87.0501 -116.453 -135.861 GPRESSURE: 1279400 -189.887 -16.8175 -95.1923 -36.5934 -38.5216 -61.4437 -35.3739 -86.0663 -86.8181 PRESSAVG: 1279400 -34.0752 5.06577 -0.203423 5.06581 16.1436 39.2042 -0.203391 39.2042 14.1769 GPRESSAVG: 1279400 -35.2679 5.86165 0.496541 3.94854 16.8651 42.5139 1.28217 36.7059 14.7914 TIMING: 1279400 CPU: 3802.17, 0.0030151/step Wall: 3802.17, 0.0030151/step, 3.1161 hours remaining, 207.019531 MB of memory in use. ENERGY: 1279400 765.0976 2154.5441 1923.9013 115.5362 -206129.8222 17678.2219 0.0000 0.0000 34399.8791 -149092.6419 300.4227 -183492.5209 -148998.0895 300.0435 -137.9641 -105.0757 558317.0184 -1.2516 -1.2038 PRESSURE: 1279600 -257.134 49.7157 -133.625 49.7151 -95.0809 -48.043 -133.626 -48.0426 -201.932 GPRESSURE: 1279600 -205.353 33.9979 -240.14 4.3197 -66.7756 -72.5573 -47.7524 -39.0778 -188.064 PRESSAVG: 1279600 -88.4668 63.5484 -45.5657 63.5482 -30.0985 -40.4343 -45.5657 -40.4343 117.604 GPRESSAVG: 1279600 -87.9495 63.7333 -46.0921 62.5912 -31.1602 -42.9825 -45.6055 -38.7967 118.227 TIMING: 1279600 CPU: 3802.77, 0.00299702/step Wall: 3802.77, 0.00299702/step, 3.09726 hours remaining, 207.019531 MB of memory in use. ENERGY: 1279600 755.0810 2064.3017 1932.2994 117.3226 -205778.1967 17481.2608 0.0000 0.0000 34234.9225 -149193.0087 298.9821 -183427.9312 -149100.2187 299.5618 -184.7158 -153.3976 558257.0640 -0.3206 -0.2944 PRESSURE: 1279800 -142.506 58.6242 111.682 58.6254 -181.328 30.2444 111.681 30.2444 169.72 GPRESSURE: 1279800 -87.6232 -12.0783 98.3728 121.767 -185.327 16.978 89.318 -36.5563 219.785 PRESSAVG: 1279800 -104.665 52.5159 -19.7279 52.5158 15.8154 10.8713 -19.7279 10.8712 70.4309 GPRESSAVG: 1279800 -104.551 51.5452 -17.1745 55.1141 16.5605 10.9205 -23.2469 10.1276 69.4566 TIMING: 1279800 CPU: 3803.37, 0.00299239/step Wall: 3803.37, 0.00299239/step, 3.09231 hours remaining, 207.019531 MB of memory in use. ENERGY: 1279800 726.4160 2093.5404 1937.5460 115.5848 -206065.2707 17768.1130 0.0000 0.0000 34019.0833 -149404.9872 297.0971 -183424.0705 -149307.4720 298.7986 -51.3713 -17.7217 558901.1199 -6.1394 -6.1781 PRESSURE: 1280000 277.42 -49.8393 -56.7126 -49.8393 -43.2306 127.339 -56.7131 127.34 -10.0435 GPRESSURE: 1280000 341.383 -45.313 -41.0025 10.4453 -54.9216 82.0734 -19.8331 133.97 41.0683 PRESSAVG: 1280000 7.9437 17.7676 -2.00374 17.7677 -9.5907 1.79298 -2.0037 1.79295 9.43446 GPRESSAVG: 1280000 8.52182 15.4444 -2.44028 16.6444 -10.511 3.31924 -0.0796177 1.68625 10.1071 TIMING: 1280000 CPU: 3803.97, 0.00302299/step Wall: 3803.97, 0.00302299/step, 3.12376 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: 1280000 771.6325 2091.3475 1928.6028 118.3738 -206492.3108 18052.6927 0.0000 0.0000 34173.7450 -149355.9164 298.4478 -183529.6614 -149258.8850 299.1435 74.7154 109.1764 558105.3712 2.5958 2.7060 PRESSURE: 1280200 -24.8982 129.078 -94.5692 129.076 -140.589 116.6 -94.569 116.6 -315.022 GPRESSURE: 1280200 -68.8463 127.02 -102.162 136.23 -70.0825 202.219 -91.0998 134.595 -247.025 PRESSAVG: 1280200 7.3617 -3.75119 -61.6001 -3.7512 -17.1664 10.0913 -61.6 10.0914 -21.4734 GPRESSAVG: 1280200 5.9674 2.46543 -62.3328 -7.48705 -16.0275 11.4952 -59.1178 8.78028 -21.2583 TIMING: 1280200 CPU: 3804.57, 0.00300877/step Wall: 3804.57, 0.00300877/step, 3.10889 hours remaining, 207.019531 MB of memory in use. ENERGY: 1280200 752.1603 2050.9816 1951.2890 116.4624 -206079.4875 17668.0429 0.0000 0.0000 34008.3360 -149532.2152 297.0033 -183540.5513 -149424.8312 298.6168 -160.1698 -128.6511 558144.7240 -10.4260 -10.4395 LDB: ============= START OF LOAD BALANCING ============== 3808 LDB: ============== END OF LOAD BALANCING =============== 3808 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3808 LDB: ============= START OF LOAD BALANCING ============== 3808.3 LDB: Largest compute 4821 load 0.031880 is 27.0% of average load 0.117939 LDB: Average compute 0.001714 is 1.5% of average load 0.117939 LDB: TIME 3808.31 LOAD: AVG 0.117939 MAX 0.197391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.984 MB LDB: TIME 3808.31 LOAD: AVG 0.117939 MAX 0.197391 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.188 MB LDB: TIME 3808.31 LOAD: AVG 0.117939 MAX 0.197391 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3808.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3808.31 PRESSURE: 1280400 -200.162 -128.387 -77.7008 -128.387 -151.134 -43.7671 -77.7007 -43.767 -263.3 GPRESSURE: 1280400 -128.289 -99.558 -133.998 -96.3439 -123.895 -21.2823 -138.14 -79.6382 -256.374 PRESSAVG: 1280400 41.1801 -38.4183 -25.4494 -38.4184 16.6881 6.9862 -25.4495 6.98618 -9.84617 GPRESSAVG: 1280400 43.8716 -40.9468 -24.2962 -39.137 15.9955 5.6071 -29.307 9.09512 -11.423 TIMING: 1280400 CPU: 3805.18, 0.00306261/step Wall: 3805.18, 0.00306261/step, 3.16436 hours remaining, 207.726562 MB of memory in use. ENERGY: 1280400 776.6714 2096.3767 1921.7375 138.3134 -206241.0741 17748.8562 0.0000 0.0000 34322.3848 -149236.7340 299.7459 -183559.1188 -149140.4703 298.7918 -204.8650 -169.5193 558010.4119 16.0073 16.1480 PRESSURE: 1280600 41.1414 -24.4295 -21.6367 -24.4295 -207.75 -13.9174 -21.6373 -13.9174 -118.965 GPRESSURE: 1280600 90.9182 -102.673 -97.7785 0.307412 -208.105 7.07114 37.7438 -78.7741 -74.2516 PRESSAVG: 1280600 -40.4305 -22.5567 -11.4745 -22.5566 65.6062 -46.856 -11.4745 -46.8559 27.8614 GPRESSAVG: 1280600 -41.5804 -23.76 -11.4953 -19.6099 66.117 -47.1423 -10.4204 -46.4851 28.4378 TIMING: 1280600 CPU: 3805.78, 0.00297968/step Wall: 3805.78, 0.00297969/step, 3.07851 hours remaining, 207.726562 MB of memory in use. ENERGY: 1280600 748.1234 2023.8945 1927.7306 116.1517 -206202.2746 17750.0504 0.0000 0.0000 34263.4675 -149372.8563 299.2314 -183636.3239 -149275.3029 299.3975 -95.1911 -63.8130 559522.0182 17.6790 17.6581 PRESSURE: 1280800 -306.96 124.539 42.0157 124.538 -264.656 -43.187 42.0159 -43.1869 -93.9266 GPRESSURE: 1280800 -265.864 72.5109 15.6157 116.283 -262.638 -67.7413 79.9589 31.5776 -31.7526 PRESSAVG: 1280800 22.0244 -15.8027 10.4176 -15.8027 -18.8446 30.5066 10.4177 30.5064 -16.7827 GPRESSAVG: 1280800 22.5139 -13.5594 9.8287 -17.0408 -20.1329 31.3139 13.2686 30.5864 -15.9706 TIMING: 1280800 CPU: 3806.37, 0.00296499/step Wall: 3806.37, 0.00296499/step, 3.06316 hours remaining, 207.726562 MB of memory in use. ENERGY: 1280800 784.2538 2076.9242 1923.6591 98.0541 -206067.2580 17542.8958 0.0000 0.0000 34140.5340 -149500.9370 298.1578 -183641.4710 -149393.7488 297.7411 -221.8474 -186.7515 558079.2415 -4.5343 -4.5299 PRESSURE: 1281000 -178.177 -66.1029 -36.9834 -66.1028 -258.603 15.1408 -36.9844 15.141 -107.359 GPRESSURE: 1281000 -152.755 -85.0738 -38.2702 -49.3339 -232.969 33.4142 -9.87885 34.0123 -50.7301 PRESSAVG: 1281000 -0.322999 -0.032837 58.4784 -0.0327306 -17.1141 -18.1748 58.4783 -18.1749 -15.3212 GPRESSAVG: 1281000 -0.604683 -1.98614 58.2675 -0.746239 -15.6896 -18.6339 56.9318 -18.1476 -16.0863 TIMING: 1281000 CPU: 3806.97, 0.00299076/step Wall: 3806.97, 0.00299076/step, 3.08962 hours remaining, 207.726562 MB of memory in use. ENERGY: 1281000 743.5383 2116.8213 1930.4531 104.9168 -205853.7831 17415.5417 0.0000 0.0000 34130.9358 -149411.5762 298.0740 -183542.5120 -149306.6416 298.5372 -181.3795 -145.4848 557314.4453 -10.9194 -10.7935 PRESSURE: 1281200 -227.046 43.789 128.709 43.7896 -163.133 -50.1198 128.711 -50.1204 -128.168 GPRESSURE: 1281200 -217.007 56.2292 160.014 97.6774 -132.951 -72.7792 98.2119 -82.0045 -79.6766 PRESSAVG: 1281200 30.7263 -3.58857 74.8746 -3.58857 -38.2493 4.40729 74.8746 4.40724 -19.5945 GPRESSAVG: 1281200 30.129 -4.66052 76.7943 -2.18911 -38.2103 4.64647 72.2038 2.23168 -19.24 TIMING: 1281200 CPU: 3807.57, 0.00299085/step Wall: 3807.57, 0.00299085/step, 3.08955 hours remaining, 207.726562 MB of memory in use. ENERGY: 1281200 743.6309 2146.3922 1944.0084 126.3957 -206411.1784 17701.2640 0.0000 0.0000 34440.9797 -149308.5076 300.7816 -183749.4872 -149212.7947 298.4248 -172.7820 -143.2115 557850.1390 -9.0392 -9.1071 PRESSURE: 1281400 -260.981 -37.1114 13.8488 -37.1106 -151.903 -131.778 13.8495 -131.777 -34.199 GPRESSURE: 1281400 -243.193 19.6002 -20.493 -5.49126 -121.808 -87.65 -63.883 -148.418 16.3553 PRESSAVG: 1281400 -35.1595 6.02848 75.4217 6.02855 -39.9882 -50.759 75.4217 -50.7589 41.882 GPRESSAVG: 1281400 -34.9774 6.15627 74.4082 5.16409 -40.3558 -51.4892 77.9577 -50.3491 42.2137 TIMING: 1281400 CPU: 3808.17, 0.00298496/step Wall: 3808.17, 0.00298496/step, 3.0833 hours remaining, 207.726562 MB of memory in use. ENERGY: 1281400 764.7895 2125.4874 1943.3242 106.0391 -206022.5062 17631.1855 0.0000 0.0000 34178.4068 -149273.2737 298.4885 -183451.6804 -149175.9225 298.5359 -149.0276 -116.2150 558363.8577 -11.0885 -11.0398 PRESSURE: 1281600 -271.937 88.2842 -125.643 88.2851 -22.7343 -26.9488 -125.642 -26.9476 -324.837 GPRESSURE: 1281600 -212.4 138.069 -147.229 36.2801 19.7258 44.4232 -94.1315 -19.265 -331.493 PRESSAVG: 1281600 -45.3289 26.7628 -35.3391 26.7628 15.5445 -38.8511 -35.3391 -38.8511 39.9772 GPRESSAVG: 1281600 -45.6698 28.674 -36.4279 26.3457 15.1959 -40.0304 -37.1452 -37.7477 39.8111 TIMING: 1281600 CPU: 3808.76, 0.00298878/step Wall: 3808.76, 0.00298878/step, 3.08707 hours remaining, 207.726562 MB of memory in use. ENERGY: 1281600 732.6042 2112.7987 1969.3651 120.2572 -206069.4237 17633.7990 0.0000 0.0000 34265.6011 -149234.9984 299.2500 -183500.5995 -149147.1745 298.7697 -206.5026 -174.7226 558437.5128 3.3976 3.1124 PRESSURE: 1281800 155.437 45.2067 -24.6335 45.2077 -113.689 9.67757 -24.6345 9.67633 -12.5701 GPRESSURE: 1281800 157.768 92.2879 -73.7749 -9.88026 -84.6986 -76.2451 -39.0777 -2.7308 63.6633 PRESSAVG: 1281800 23.5487 20.7836 -24.7908 20.7834 -16.2922 16.0412 -24.7908 16.0413 -8.18396 GPRESSAVG: 1281800 24.2756 20.9399 -24.5315 21.5798 -16.4151 15.9032 -23.3371 15.1996 -9.40838 TIMING: 1281800 CPU: 3809.36, 0.00297541/step Wall: 3809.36, 0.00297541/step, 3.07311 hours remaining, 207.726562 MB of memory in use. ENERGY: 1281800 726.1473 2150.7651 1961.1506 111.5647 -206542.7182 18006.6604 0.0000 0.0000 34410.8448 -149175.5852 300.5185 -183586.4300 -149081.7604 299.1566 9.7259 45.5776 557233.7985 -0.3092 -0.5159 PRESSURE: 1282000 79.0133 -149.23 -34.9941 -149.229 238.571 -83.2169 -34.9935 -83.2171 143.892 GPRESSURE: 1282000 74.529 -129.691 34.9404 -82.0372 259.837 -90.1038 -166.122 -62.5953 227.45 PRESSAVG: 1282000 -25.1691 -23.8961 11.6261 -23.896 -32.633 -26.0065 11.6261 -26.0064 38.3909 GPRESSAVG: 1282000 -26.5044 -23.9067 12.8358 -22.4797 -31.1946 -23.2104 10.5303 -27.4622 37.793 TIMING: 1282000 CPU: 3809.96, 0.00302486/step Wall: 3809.96, 0.00302486/step, 3.12401 hours remaining, 207.726562 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: 1282000 755.8492 2105.5841 1940.8881 108.5214 -206652.4363 18172.6945 0.0000 0.0000 34192.2669 -149376.6322 298.6096 -183568.8991 -149276.7069 299.3425 153.8254 187.2721 557131.2389 -6.4704 -6.6353 PRESSURE: 1282200 -318.066 -126.737 -36.8889 -126.736 -1.43611 -76.8152 -36.8883 -76.8162 -61.4459 GPRESSURE: 1282200 -265.192 -81.1554 -25.4175 -130.217 38.5036 -68.3019 -36.9171 -40.4384 -65.8261 PRESSAVG: 1282200 -35.947 8.23032 3.8683 8.23026 40.3313 -4.65447 3.8684 -4.65447 -7.37831 GPRESSAVG: 1282200 -35.1501 7.31204 4.03393 6.30406 38.6714 -7.49709 5.72457 -1.29856 -6.79431 TIMING: 1282200 CPU: 3810.57, 0.00301913/step Wall: 3810.57, 0.00301913/step, 3.11793 hours remaining, 207.726562 MB of memory in use. ENERGY: 1282200 742.3501 2083.0687 1967.4207 114.5380 -206240.2685 17746.3133 0.0000 0.0000 34113.3898 -149473.1878 297.9207 -183586.5776 -149368.5873 298.8996 -126.9826 -97.5050 557885.4935 -0.9980 -1.0910 PRESSURE: 1282400 88.9249 61.0617 83.0453 61.0623 141.719 -112.651 83.0452 -112.65 267.421 GPRESSURE: 1282400 112.586 129.426 75.6094 2.86352 192.003 -175.979 37.3659 -62.2954 289.617 PRESSAVG: 1282400 6.78078 23.6368 0.0104915 23.637 20.9927 19.8413 0.0103822 19.8413 0.0164066 GPRESSAVG: 1282400 6.16376 23.5681 -0.369162 23.0571 21.0007 20.168 -1.53601 17.9328 0.412739 TIMING: 1282400 CPU: 3811.17, 0.00301316/step Wall: 3811.17, 0.00301316/step, 3.11159 hours remaining, 207.726562 MB of memory in use. ENERGY: 1282400 760.3293 2086.4744 1932.1323 108.8263 -206312.6563 17993.1164 0.0000 0.0000 34153.7206 -149278.0570 298.2729 -183431.7776 -149189.2033 298.5800 166.0216 198.0685 557577.2660 9.2633 9.1924 PRESSURE: 1282600 131.01 -137.084 -22.6609 -137.085 190.564 -80.1018 -22.6603 -80.1026 173.903 GPRESSURE: 1282600 179.04 -99.3901 -2.15519 -128.332 168.073 36.4522 -58.7093 -64.5078 240.238 PRESSAVG: 1282600 -39.5628 -26.8078 13.8949 -26.8078 -1.8293 29.6054 13.8949 29.6054 45.9077 GPRESSAVG: 1282600 -38.841 -27.3856 12.8588 -25.7467 -3.65151 30.8229 16.2687 29.526 46.4936 TIMING: 1282600 CPU: 3811.77, 0.00298385/step Wall: 3811.77, 0.00298385/step, 3.08115 hours remaining, 207.726562 MB of memory in use. ENERGY: 1282600 760.2533 2018.3951 1940.2098 110.3653 -206165.5010 17975.6834 0.0000 0.0000 34136.7451 -149223.8490 298.1247 -183360.5941 -149123.4135 299.0139 165.1589 195.7832 557518.9265 1.5052 1.3337 PRESSURE: 1282800 -1.96806 -216.073 -15.3279 -216.072 8.80097 118.611 -15.3285 118.61 118.219 GPRESSURE: 1282800 52.8949 -187.515 36.2288 -193.219 22.0255 76.9245 -48.7769 125.98 144.443 PRESSAVG: 1282800 42.1569 1.54804 -14.7477 1.54811 31.406 -2.09563 -14.7477 -2.09553 -37.3496 GPRESSAVG: 1282800 41.2551 0.708023 -13.9377 1.01092 32.6873 -3.26787 -15.1144 -1.88748 -38.1736 TIMING: 1282800 CPU: 3812.36, 0.00296939/step Wall: 3812.36, 0.00296939/step, 3.06606 hours remaining, 207.726562 MB of memory in use. ENERGY: 1282800 768.2055 2166.4507 1940.9925 107.6706 -206138.3583 17812.8205 0.0000 0.0000 34261.8401 -149080.3785 299.2172 -183342.2186 -148990.7441 298.7595 41.6839 73.1213 558477.2230 12.0711 11.9229 PRESSURE: 1283000 -15.7836 59.6422 9.6133 59.6425 92.2192 -22.6263 9.61356 -22.6272 -77.1729 GPRESSURE: 1283000 30.0848 61.0449 46.0766 27.5088 159.677 -63.8049 -7.75979 1.5801 -83.7108 PRESSAVG: 1283000 -8.27365 -26.7122 37.215 -26.7122 -29.4612 -9.0029 37.2151 -9.00299 38.7923 GPRESSAVG: 1283000 -6.97863 -24.9564 38.5378 -27.4626 -29.7913 -7.96151 35.3272 -9.7946 37.4711 TIMING: 1283000 CPU: 3812.96, 0.00297542/step Wall: 3812.96, 0.00297542/step, 3.07212 hours remaining, 207.726562 MB of memory in use. ENERGY: 1283000 747.9383 2117.9631 1973.8947 120.7255 -205971.6000 17739.7398 0.0000 0.0000 34340.6254 -148930.7132 299.9052 -183271.3385 -148835.8019 299.1086 -0.2457 35.3503 558056.7727 0.3525 0.2337 PRESSURE: 1283200 -101.446 23.1901 128.122 23.1889 -53.5568 -59.7454 128.123 -59.7438 -79.975 GPRESSURE: 1283200 -76.8249 49.8704 105.85 -19.283 21.8974 -19.948 86.0771 -26.8651 -66.8069 PRESSAVG: 1283200 -5.83069 -11.9853 66.0302 -11.9852 -38.0624 21.1005 66.0302 21.1006 18.8346 GPRESSAVG: 1283200 -6.82177 -14.1179 63.2236 -10.0106 -37.2495 22.6773 67.3689 22.544 19.2692 TIMING: 1283200 CPU: 3813.55, 0.00297328/step Wall: 3813.55, 0.00297328/step, 3.06974 hours remaining, 207.726562 MB of memory in use. ENERGY: 1283200 775.9535 2076.6839 1948.5548 118.5793 -206076.2871 17746.8832 0.0000 0.0000 34336.1250 -149073.5074 299.8659 -183409.6324 -148982.1093 299.4435 -78.3261 -40.5781 559088.6843 -8.3528 -8.2673 PRESSURE: 1283400 3.95715 -8.40667 13.6169 -8.40662 118.014 59.691 13.6157 59.6911 19.9913 GPRESSURE: 1283400 97.3179 -114.035 19.754 57.6439 99.3029 44.6261 65.9434 37.4544 35.57 PRESSAVG: 1283400 37.6428 -21.8865 -10.5346 -21.8864 11.8755 -7.55296 -10.5345 -7.55304 -6.82234 GPRESSAVG: 1283400 38.5181 -22.1451 -9.39881 -23.6022 9.83919 -8.23383 -12.5107 -9.84008 -5.43732 TIMING: 1283400 CPU: 3814.14, 0.00295638/step Wall: 3814.14, 0.00295638/step, 3.05213 hours remaining, 207.726562 MB of memory in use. ENERGY: 1283400 723.3667 2095.9093 1935.3523 123.4647 -205902.7226 17682.9654 0.0000 0.0000 34252.5361 -149089.1280 299.1359 -183341.6642 -148995.4850 299.2424 47.3210 77.3969 558239.0712 14.2320 14.3067 PRESSURE: 1283600 -32.8782 -142.537 141.089 -142.535 -141.043 -90.0066 141.088 -90.0076 -81.6349 GPRESSURE: 1283600 -38.8716 -129.369 168.646 -103.623 -80.219 -82.1795 107.955 -34.7643 -46.0363 PRESSAVG: 1283600 5.37359 -58.1028 -57.6653 -58.1028 23.515 -26.9375 -57.6655 -26.9374 -1.708 GPRESSAVG: 1283600 3.61523 -57.7748 -57.9352 -56.8902 25.4862 -29.0034 -56.1292 -23.2605 -2.15703 TIMING: 1283600 CPU: 3814.74, 0.00300103/step Wall: 3814.74, 0.00300103/step, 3.09807 hours remaining, 207.726562 MB of memory in use. ENERGY: 1283600 763.7730 2118.0272 1946.8673 106.3409 -205965.8158 17788.8220 0.0000 0.0000 34322.5193 -148919.4661 299.7471 -183241.9854 -148827.8139 299.7402 -85.1855 -55.0423 558843.9858 9.0602 8.9815 PRESSURE: 1283800 30.0729 -15.2215 -11.4906 -15.2214 -217.516 45.2047 -11.4908 45.2066 350.53 GPRESSURE: 1283800 64.3705 -147.12 -37.2233 14.5172 -204.497 56.4756 -40.4067 55.5112 399.745 PRESSAVG: 1283800 29.6422 -3.34682 21.8885 -3.34685 -38.0725 -16.1581 21.8885 -16.158 9.42233 GPRESSAVG: 1283800 30.6349 -2.37848 21.9558 -3.94923 -38.7133 -13.9544 20.636 -16.8681 9.02891 TIMING: 1283800 CPU: 3815.34, 0.00300755/step Wall: 3815.34, 0.00300755/step, 3.10463 hours remaining, 207.726562 MB of memory in use. ENERGY: 1283800 724.4385 2106.4185 1952.7288 124.2632 -206307.5718 17946.7847 0.0000 0.0000 34500.7418 -148952.1962 301.3036 -183452.9380 -148839.3829 300.7089 54.3621 86.5394 557640.2670 0.3307 0.3168 PRESSURE: 1284000 90.1278 -126.083 -133.854 -126.082 11.6067 -107.047 -133.854 -107.047 -19.1527 GPRESSURE: 1284000 113.988 -115.03 -134.732 -107.44 39.121 -190.612 -220.844 -99.1164 13.4709 PRESSAVG: 1284000 65.7669 -69.8028 -22.7493 -69.8027 -82.1182 6.34684 -22.7493 6.34689 33.5762 GPRESSAVG: 1284000 66.6293 -70.2869 -23.9619 -68.0221 -82.8997 7.61691 -21.2488 3.83278 33.7603 TIMING: 1284000 CPU: 3815.94, 0.00299488/step Wall: 3815.94, 0.00299488/step, 3.09138 hours remaining, 207.726562 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: 1284000 708.5408 2141.8757 1944.1578 108.0623 -206225.8680 17971.7202 0.0000 0.0000 34424.8102 -148926.7010 300.6404 -183351.5113 -148829.5760 300.0470 27.5273 55.5267 557774.4503 5.7417 5.8300 PRESSURE: 1284200 -270.735 -99.6142 -87.3394 -99.6144 -189.22 189.26 -87.3376 189.261 -240.343 GPRESSURE: 1284200 -197.457 -159.88 -85.8263 -39.7364 -190.29 168.505 -81.5012 205.166 -226.301 PRESSAVG: 1284200 -6.09282 -16.3107 -20.8735 -16.3108 -14.1013 50.8724 -20.8736 50.8723 -33.003 GPRESSAVG: 1284200 -6.25414 -14.7117 -19.0693 -16.0961 -13.8462 48.0824 -21.8748 52.7856 -34.0456 TIMING: 1284200 CPU: 3816.54, 0.00296821/step Wall: 3816.54, 0.00296821/step, 3.06368 hours remaining, 207.726562 MB of memory in use. ENERGY: 1284200 768.6986 2135.2627 1934.8651 113.9838 -205925.0699 17504.8387 0.0000 0.0000 34309.0303 -149158.3907 299.6293 -183467.4210 -149061.8780 299.9026 -233.4325 -204.6827 557868.6576 -17.7324 -18.0486 LDB: ============= START OF LOAD BALANCING ============== 3819.97 LDB: ============== END OF LOAD BALANCING =============== 3819.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3819.97 LDB: ============= START OF LOAD BALANCING ============== 3820.27 LDB: Largest compute 4821 load 0.031027 is 26.3% of average load 0.117962 LDB: Average compute 0.001711 is 1.5% of average load 0.117962 LDB: TIME 3820.27 LOAD: AVG 0.117962 MAX 0.198582 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.289 MB LDB: TIME 3820.27 LOAD: AVG 0.117962 MAX 0.198582 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.289 MB LDB: TIME 3820.27 LOAD: AVG 0.117962 MAX 0.198582 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3820.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3820.28 PRESSURE: 1284400 1.86022 27.8148 39.7049 27.8153 193.479 97.6175 39.7056 97.6183 54.9332 GPRESSURE: 1284400 20.7681 -17.433 39.0818 11.5155 139.454 99.4546 3.67964 75.9596 179.265 PRESSAVG: 1284400 -10.3699 -8.83892 7.11042 -8.83898 30.5493 56.854 7.11037 56.854 -25.1392 GPRESSAVG: 1284400 -10.457 -12.6432 6.6529 -8.65751 30.3537 57.5566 5.73622 58.7059 -24.4589 TIMING: 1284400 CPU: 3817.15, 0.00305355/step Wall: 3817.15, 0.00305355/step, 3.15161 hours remaining, 205.937500 MB of memory in use. ENERGY: 1284400 727.0732 2105.9002 1944.5833 108.0797 -205851.2270 17656.2123 0.0000 0.0000 34251.0594 -149058.3189 299.1230 -183309.3783 -148964.1470 299.6949 83.4240 113.1623 556697.0427 -1.6533 -1.5207 PRESSURE: 1284600 -39.6615 -9.96475 85.3538 -9.96458 184.522 -76.5883 85.3539 -76.5899 140.743 GPRESSURE: 1284600 -55.1745 13.6611 114.766 3.68234 256.538 -107.12 39.1183 -3.27131 177.568 PRESSAVG: 1284600 15.7357 -42.0466 24.1541 -42.0466 18.5201 42.1332 24.1541 42.1331 -22.2908 GPRESSAVG: 1284600 16.2225 -39.5041 23.7563 -43.12 18.1762 44.5275 24.8394 40.5451 -22.4789 TIMING: 1284600 CPU: 3817.75, 0.00300218/step Wall: 3817.75, 0.00300218/step, 3.09841 hours remaining, 205.937500 MB of memory in use. ENERGY: 1284600 732.8952 2107.9064 1955.1856 110.1803 -206480.9884 18008.8766 0.0000 0.0000 34490.9286 -149075.0157 301.2179 -183565.9443 -148977.4027 300.1016 95.2013 126.3105 556665.5638 3.9883 3.9733 PRESSURE: 1284800 -127.045 213.614 -97.8969 213.613 77.597 2.97621 -97.8979 2.97674 -217.758 GPRESSURE: 1284800 -41.9352 111.984 -164.296 209.505 67.2806 58.4067 -86.8599 -56.3174 -193.951 PRESSAVG: 1284800 -38.2614 17.0547 -6.33586 17.0548 0.883221 -5.94988 -6.33593 -5.94973 10.9154 GPRESSAVG: 1284800 -37.902 14.6207 -7.07977 18.1222 1.92655 -8.25318 -3.18555 -5.4657 9.69948 TIMING: 1284800 CPU: 3818.35, 0.00299328/step Wall: 3818.35, 0.00299328/step, 3.08906 hours remaining, 205.937500 MB of memory in use. ENERGY: 1284800 787.8933 2088.7199 1934.0621 116.3167 -206142.0124 17810.5059 0.0000 0.0000 34418.3691 -148986.1454 300.5842 -183404.5145 -148889.6046 300.2978 -89.0685 -56.2020 557550.0861 -8.8209 -8.7587 PRESSURE: 1285000 -158.117 -56.6703 -149.11 -56.6692 -46.7954 -54.6382 -149.108 -54.6362 -323.015 GPRESSURE: 1285000 -117.968 -29.3361 -122.425 -83.7199 2.47576 -34.2206 -170.05 -125.107 -301.876 PRESSAVG: 1285000 1.67817 18.0145 1.10379 18.0146 32.6075 -5.44148 1.10382 -5.44151 -21.0305 GPRESSAVG: 1285000 2.94576 19.4179 2.18657 18.3355 31.9588 -3.61182 -1.02245 -5.47275 -21.4349 TIMING: 1285000 CPU: 3818.95, 0.0029949/step Wall: 3818.95, 0.0029949/step, 3.09057 hours remaining, 205.937500 MB of memory in use. ENERGY: 1285000 757.0333 2043.9963 1944.3557 118.1968 -205719.0047 17540.7634 0.0000 0.0000 34267.6802 -149046.9790 299.2682 -183314.6591 -148953.8692 299.8200 -175.9755 -139.1229 557247.2064 4.4184 4.4899 PRESSURE: 1285200 235.694 13.4726 -66.0364 13.4709 145.971 -62.6652 -66.0366 -62.6646 -24.5255 GPRESSURE: 1285200 247.255 2.82039 -23.9113 48.3169 190.259 17.2724 -8.95197 -73.5904 4.48949 PRESSAVG: 1285200 79.1177 11.0432 22.2663 11.0431 -8.79221 -2.38961 22.2662 -2.38971 -60.3525 GPRESSAVG: 1285200 77.0196 12.1643 22.9428 8.40651 -8.25421 -3.68559 22.2699 -2.40227 -58.5515 TIMING: 1285200 CPU: 3819.54, 0.00298546/step Wall: 3819.54, 0.00298546/step, 3.08067 hours remaining, 205.937500 MB of memory in use. ENERGY: 1285200 750.0696 2117.0035 1962.6100 104.5225 -206450.3801 18043.5178 0.0000 0.0000 34394.1083 -149078.5483 300.3723 -183472.6567 -148979.6640 299.0854 119.0466 147.3346 557623.6394 3.3243 3.4047 PRESSURE: 1285400 -38.0611 -63.5334 -165.058 -63.5333 -80.0597 74.6768 -165.06 74.6782 -135.663 GPRESSURE: 1285400 -17.8738 -0.661219 -198.368 16.7433 11.7439 -56.8478 -115.499 47.276 -136.427 PRESSAVG: 1285400 18.3149 -33.4957 -26.1719 -33.4957 40.0082 20.4534 -26.172 20.4534 -72.8384 GPRESSAVG: 1285400 18.1205 -32.6653 -25.0313 -32.537 40.9974 19.6658 -27.3956 20.8008 -73.6657 TIMING: 1285400 CPU: 3820.14, 0.00298017/step Wall: 3820.14, 0.00298017/step, 3.07504 hours remaining, 205.937500 MB of memory in use. ENERGY: 1285400 747.2398 2056.0724 1945.8134 124.9642 -206216.3846 17756.2610 0.0000 0.0000 34354.4587 -149231.5750 300.0260 -183586.0338 -149139.0065 299.5421 -84.5944 -47.5191 557737.7453 -4.8384 -4.8493 PRESSURE: 1285600 -2.49057 14.6742 13.2373 14.6745 302.775 -29.9342 13.2382 -29.9347 107.661 GPRESSURE: 1285600 19.1748 -33.987 20.4155 32.1841 384.566 -21.4353 -34.8986 -73.5444 107.376 PRESSAVG: 1285600 3.53771 -9.05012 5.15934 -9.05013 -5.9223 -45.926 5.15928 -45.9261 3.193 GPRESSAVG: 1285600 6.6203 -8.38223 4.04993 -8.30774 -7.19461 -44.8038 6.98574 -46.8855 1.8524 TIMING: 1285600 CPU: 3820.74, 0.0030021/step Wall: 3820.74, 0.0030021/step, 3.0975 hours remaining, 205.937500 MB of memory in use. ENERGY: 1285600 780.7625 2036.9074 1957.2315 121.0660 -206598.0163 18287.7048 0.0000 0.0000 34098.8061 -149315.5380 297.7934 -183414.3441 -149221.5215 299.7127 135.9816 170.3722 557451.4997 0.2695 0.4260 PRESSURE: 1285800 -27.8636 -20.3102 24.0059 -20.3099 -73.4193 47.5872 24.0041 47.5871 36.4544 GPRESSURE: 1285800 28.5639 -17.5703 71.3347 -8.70418 7.45593 -13.8289 -50.7455 58.5226 -4.6558 PRESSAVG: 1285800 -31.9909 46.0073 56.5537 46.0073 98.4186 -27.5257 56.5538 -27.5257 -25.1734 GPRESSAVG: 1285800 -32.2444 44.0893 57.2596 45.0953 98.7662 -28.4509 56.7814 -25.9156 -25.5704 TIMING: 1285800 CPU: 3821.34, 0.00301171/step Wall: 3821.34, 0.00301171/step, 3.10725 hours remaining, 205.937500 MB of memory in use. ENERGY: 1285800 752.4133 2152.8281 1962.8014 118.6170 -206585.3403 18045.3518 0.0000 0.0000 34083.7224 -149469.6063 297.6616 -183553.3286 -149367.8099 298.2807 -21.6095 10.4547 558267.4418 13.7514 13.6505 PRESSURE: 1286000 -19.4076 6.0407 27.5833 6.04049 45.7294 7.33094 27.5832 7.3305 -141.886 GPRESSURE: 1286000 -6.67001 89.4976 21.8647 -27.9613 84.1327 28.8696 -7.91668 40.3031 -94.1421 PRESSAVG: 1286000 -27.3762 -4.95731 -24.4446 -4.95724 -3.3794 -17.1459 -24.4447 -17.1458 42.834 GPRESSAVG: 1286000 -28.8363 -6.51005 -24.5044 -2.34183 -2.75191 -16.2007 -24.2688 -19.1731 44.5005 TIMING: 1286000 CPU: 3821.94, 0.00298852/step Wall: 3821.94, 0.00298852/step, 3.08316 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: 1286000 778.6192 2092.8934 1933.8758 116.1564 -206742.6163 18154.7823 0.0000 0.0000 34205.4304 -149460.8588 298.7245 -183666.2892 -149362.0264 298.3119 -38.5215 -5.5598 558604.0800 4.0261 4.3041 PRESSURE: 1286200 -1.49808 174.532 -80.7977 174.533 180.5 42.6261 -80.7978 42.6268 -87.0551 GPRESSURE: 1286200 4.23681 203.143 -47.2022 52.927 199.332 66.3034 -224.792 55.4421 -22.0145 PRESSAVG: 1286200 18.6955 -71.2272 -25.6795 -71.2272 -71.9999 -28.8348 -25.6796 -28.8349 29.7783 GPRESSAVG: 1286200 18.8111 -69.5523 -24.7591 -74.2222 -71.7832 -30.1495 -27.3586 -28.2631 29.1156 TIMING: 1286200 CPU: 3822.54, 0.00298714/step Wall: 3822.54, 0.00298714/step, 3.08157 hours remaining, 205.937500 MB of memory in use. ENERGY: 1286200 765.3771 2109.4624 1959.8845 118.5122 -206623.8982 18122.3371 0.0000 0.0000 34299.3081 -149249.0168 299.5444 -183548.3249 -149157.0247 298.0482 30.6488 60.5181 557876.7298 -7.8420 -7.9522 PRESSURE: 1286400 112.095 -16.4402 122.115 -16.4407 -39.9484 29.3428 122.114 29.3424 4.48859 GPRESSURE: 1286400 93.7696 11.7958 139.529 -105.246 14.7969 33.8101 134.798 -12.1932 65.0897 PRESSAVG: 1286400 12.198 -24.5603 -2.36592 -24.5603 -34.8727 -5.64224 -2.3659 -5.64218 5.37577 GPRESSAVG: 1286400 11.7323 -23.5647 -4.18079 -25.0895 -35.4636 -8.05703 -0.220758 -5.73684 6.23905 TIMING: 1286400 CPU: 3823.13, 0.00298907/step Wall: 3823.13, 0.00298907/step, 3.08339 hours remaining, 205.937500 MB of memory in use. ENERGY: 1286400 739.9694 2096.4217 1938.0574 113.0325 -206291.5370 17953.0435 0.0000 0.0000 34142.4160 -149308.5965 298.1742 -183451.0125 -149218.7543 298.3841 25.5450 57.8854 558064.1689 -5.7663 -5.8308 PRESSURE: 1286600 104.181 -25.8674 19.6123 -25.8664 -148.543 80.7957 19.6146 80.7947 -0.0728721 GPRESSURE: 1286600 88.7596 14.5577 -26.9721 3.5051 -77.152 110.189 60.5675 -14.294 36.2318 PRESSAVG: 1286600 46.5933 -13.228 28.3661 -13.228 16.0699 30.915 28.366 30.9151 -25.8878 GPRESSAVG: 1286600 47.5561 -14.5026 28.5885 -12.0182 17.0297 33.2106 27.2978 31.1842 -27.7801 TIMING: 1286600 CPU: 3823.74, 0.00300845/step Wall: 3823.74, 0.00300845/step, 3.10322 hours remaining, 205.937500 MB of memory in use. ENERGY: 1286600 742.9616 2129.3387 1911.5527 120.0159 -206407.3222 17842.3460 0.0000 0.0000 34185.1014 -149476.0059 298.5470 -183661.1073 -149390.1821 298.7665 -14.8114 15.9465 557665.8060 12.2585 12.2686 PRESSURE: 1286800 -25.1901 106.98 -76.9416 106.981 42.5816 144.727 -76.9407 144.728 93.9616 GPRESSURE: 1286800 60.7141 42.2462 -99.7933 181.398 59.866 102.708 -21.9534 123.576 88.5395 PRESSAVG: 1286800 43.9081 44.8022 -69.7631 44.8022 -90.1657 27.9882 -69.7632 27.9881 41.8062 GPRESSAVG: 1286800 43.4906 43.997 -68.8443 45.6614 -91.114 28.1262 -68.6101 28.7033 43.2574 TIMING: 1286800 CPU: 3824.34, 0.00302345/step Wall: 3824.34, 0.00302345/step, 3.11852 hours remaining, 205.937500 MB of memory in use. ENERGY: 1286800 744.6537 2068.7929 1918.7987 119.8242 -206539.2340 17933.4133 0.0000 0.0000 34191.4075 -149562.3437 298.6021 -183753.7512 -149469.8966 297.6952 37.1177 69.7066 556012.4016 -1.4838 -1.4553 PRESSURE: 1287000 -66.6 -157.437 -107.803 -157.437 61.6045 212.212 -107.803 212.212 -123.102 GPRESSURE: 1287000 -72.8431 -219.023 -133.012 -127.16 125.897 187.404 -118.996 153.692 -70.0437 PRESSAVG: 1287000 25.9217 28.4127 -12.2013 28.4127 -33.1068 14.3944 -12.2014 14.3944 44.8163 GPRESSAVG: 1287000 26.1303 30.2935 -10.9734 27.8248 -32.1005 15.2995 -15.0798 12.0795 43.9877 TIMING: 1287000 CPU: 3824.94, 0.00299477/step Wall: 3824.94, 0.00299477/step, 3.08877 hours remaining, 205.937500 MB of memory in use. ENERGY: 1287000 744.2400 2127.6317 1916.3679 103.7036 -206251.7095 17863.8181 0.0000 0.0000 34237.6755 -149258.2726 299.0061 -183495.9481 -149171.9883 298.3322 -42.6992 -5.6632 557587.2113 12.5437 12.6725 PRESSURE: 1287200 57.3821 0.854189 -12.0449 0.853975 -272.248 142.972 -12.0453 142.972 -18.6774 GPRESSURE: 1287200 100.894 -54.73 94.76 -40.3431 -232.499 234.968 -103.776 7.40196 -4.32193 PRESSAVG: 1287200 -12.3089 -0.923274 -48.9988 -0.923207 -58.2888 26.3761 -48.9987 26.3761 51.7077 GPRESSAVG: 1287200 -12.7651 -1.76879 -52.1245 -0.779736 -59.1215 28.5049 -47.335 24.3074 52.7252 TIMING: 1287200 CPU: 3825.54, 0.00300714/step Wall: 3825.54, 0.00300714/step, 3.10136 hours remaining, 205.937500 MB of memory in use. ENERGY: 1287200 730.5451 2055.9719 1966.2434 97.2954 -205927.7312 17702.9148 0.0000 0.0000 34265.0651 -149109.6957 299.2453 -183374.7608 -149013.6642 298.9866 -77.8478 -45.3088 558070.3015 -6.2967 -6.3871 PRESSURE: 1287400 62.7839 -8.00948 19.0999 -8.0104 114.656 -1.97749 19.0998 -1.97601 89.2778 GPRESSURE: 1287400 114.536 16.2794 25.1297 -14.8474 133.15 -23.2599 85.588 22.2114 123.665 PRESSAVG: 1287400 12.3581 -0.691827 -0.802633 -0.69193 5.64523 -12.4497 -0.802679 -12.4497 -5.45043 GPRESSAVG: 1287400 13.8905 0.865345 -0.877693 -1.10644 4.1869 -15.4743 2.61084 -8.56627 -5.50826 TIMING: 1287400 CPU: 3826.14, 0.00300349/step Wall: 3826.14, 0.00300349/step, 3.09744 hours remaining, 205.937500 MB of memory in use. ENERGY: 1287400 756.6957 2090.8205 1965.3499 117.5003 -205894.3834 17682.9760 0.0000 0.0000 34142.7274 -149138.3136 298.1769 -183281.0410 -149044.0724 299.1899 88.9060 123.7833 556812.5555 4.1843 4.1897 PRESSURE: 1287600 -319.904 -67.8522 -153.693 -67.8531 270.352 8.32761 -153.695 8.32835 -79.6332 GPRESSURE: 1287600 -313.465 -42.781 -228.501 -129.518 316.395 -80.7848 -167.82 30.6284 -46.7131 PRESSAVG: 1287600 6.51888 -11.4279 -31.2181 -11.4279 -22.0701 -52.5491 -31.218 -52.5491 -21.9704 GPRESSAVG: 1287600 4.82921 -11.1202 -31.3702 -12.0272 -21.0866 -50.9838 -33.5801 -52.8538 -21.2296 TIMING: 1287600 CPU: 3826.75, 0.00301864/step Wall: 3826.75, 0.00301864/step, 3.11289 hours remaining, 205.937500 MB of memory in use. ENERGY: 1287600 766.2741 2133.3498 1939.1560 112.8076 -205803.2520 17653.5940 0.0000 0.0000 34051.7977 -149146.2727 297.3828 -183198.0704 -149048.4876 299.4057 -43.0619 -14.5944 558764.3856 -12.5072 -12.4957 PRESSURE: 1287800 -71.1599 2.37765 -96.8532 2.37849 -64.3523 -99.9108 -96.8543 -99.9104 -105.576 GPRESSURE: 1287800 -66.6046 20.347 -86.1358 -21.8893 -18.9708 -95.1504 -52.4601 -109.749 -59.6568 PRESSAVG: 1287800 -17.4857 -43.6723 -30.7665 -43.6724 -15.1567 4.55421 -30.7665 4.55425 111.068 GPRESSAVG: 1287800 -16.691 -43.286 -29.4214 -41.8494 -14.7299 4.61449 -32.2655 4.78193 109.781 TIMING: 1287800 CPU: 3827.34, 0.00297237/step Wall: 3827.34, 0.00297237/step, 3.06501 hours remaining, 205.937500 MB of memory in use. ENERGY: 1287800 737.0702 2084.3916 1956.7331 120.8608 -205761.5589 17560.1063 0.0000 0.0000 34469.3269 -148833.0699 301.0292 -183302.3969 -148731.2822 299.9288 -80.3627 -48.4108 557832.2446 26.1419 26.1199 PRESSURE: 1288000 28.3025 53.7463 68.0956 53.7459 43.8479 152 68.0953 152.001 220.152 GPRESSURE: 1288000 40.3761 75.2465 47.5911 0.0336663 114.797 123.802 118.065 144.118 234.872 PRESSAVG: 1288000 -53.6611 68.3126 -14.1489 68.3125 17.5471 -16.8527 -14.1488 -16.8528 5.01472 GPRESSAVG: 1288000 -54.9296 64.6704 -12.8149 69.0351 18.2645 -20.1979 -13.7926 -17.7241 5.79257 TIMING: 1288000 CPU: 3827.94, 0.00299513/step Wall: 3827.94, 0.00299513/step, 3.08831 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: 1288000 712.1511 2077.3858 1918.4209 119.6253 -205841.1015 17868.9480 0.0000 0.0000 34258.5804 -148885.9900 299.1887 -183144.5704 -148790.1027 299.6487 97.4341 130.0152 559677.9346 -10.3664 -10.2908 PRESSURE: 1288200 0.900128 -17.7731 68.5818 -17.7726 -18.1029 139.133 68.5819 139.133 -43.2057 GPRESSURE: 1288200 26.1252 -35.8324 119.372 14.49 29.8701 109.505 53.4016 85.8092 -27.3668 PRESSAVG: 1288200 93.6606 17.6915 37.0906 17.6914 -15.7898 11.4881 37.0906 11.4881 -54.4276 GPRESSAVG: 1288200 94.8775 18.6571 33.537 16.3002 -16.8556 14.7478 38.979 10.286 -55.333 TIMING: 1288200 CPU: 3828.53, 0.00297968/step Wall: 3828.53, 0.00297968/step, 3.07222 hours remaining, 205.937500 MB of memory in use. ENERGY: 1288200 764.4288 2111.0958 1975.4187 109.0207 -206607.3041 18078.9446 0.0000 0.0000 34647.8635 -148920.5320 302.5884 -183568.3955 -148817.6720 299.9162 -20.1362 9.5428 558079.4030 7.8144 7.5630 LDB: ============= START OF LOAD BALANCING ============== 3831.97 LDB: ============== END OF LOAD BALANCING =============== 3831.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3831.97 LDB: ============= START OF LOAD BALANCING ============== 3832.27 LDB: Largest compute 4821 load 0.031840 is 27.0% of average load 0.118046 LDB: Average compute 0.001715 is 1.5% of average load 0.118046 LDB: TIME 3832.27 LOAD: AVG 0.118046 MAX 0.196809 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 3832.27 LOAD: AVG 0.118046 MAX 0.19681 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: TIME 3832.27 LOAD: AVG 0.118046 MAX 0.19681 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3832.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3832.27 PRESSURE: 1288400 256.889 -242.583 -82.9831 -242.584 27.1795 -235.399 -82.9836 -235.4 23.4574 GPRESSURE: 1288400 243.278 -209.079 -141.566 -200.581 49.3094 -245.617 -54.9552 -226.943 120.081 PRESSAVG: 1288400 29.0514 6.82905 -8.28624 6.8291 50.5624 -10.43 -8.28615 -10.43 -66.8206 GPRESSAVG: 1288400 29.0075 8.17811 -5.02602 5.93046 51.2442 -11.4193 -11.2388 -11.1578 -67.4511 TIMING: 1288400 CPU: 3829.14, 0.00305121/step Wall: 3829.14, 0.00305121/step, 3.1458 hours remaining, 205.425781 MB of memory in use. ENERGY: 1288400 713.4916 2138.6666 1947.6911 110.9328 -206197.7096 18147.8747 0.0000 0.0000 34315.5403 -148823.5124 299.6861 -183139.0527 -148724.1419 300.5600 102.5087 137.5561 558664.0326 4.2644 4.2669 PRESSURE: 1288600 45.1724 -177.191 12.1594 -177.192 -29.7018 -23.943 12.1592 -23.9427 30.478 GPRESSURE: 1288600 64.2721 -192.457 -8.87368 -93.513 18.4947 -30.8406 -47.6316 -50.9643 60.3663 PRESSAVG: 1288600 17.8498 -6.33226 -36.2685 -6.33235 -46.8842 -53.8093 -36.2685 -53.8093 11.1901 GPRESSAVG: 1288600 18.2013 -5.14148 -40.0971 -4.9943 -47.32 -54.8354 -35.8124 -53.4421 11.367 TIMING: 1288600 CPU: 3829.74, 0.00299784/step Wall: 3829.74, 0.00299784/step, 3.09061 hours remaining, 205.425781 MB of memory in use. ENERGY: 1288600 764.6495 2140.1713 1987.9166 108.1581 -206073.9059 17888.8321 0.0000 0.0000 34380.9005 -148803.2778 300.2570 -183184.1783 -148712.6715 300.4949 15.3162 47.7110 556993.0426 -5.9481 -5.9172 PRESSURE: 1288800 -51.8187 -98.4918 64.5106 -98.4926 33.7213 102.494 64.5103 102.495 162.289 GPRESSURE: 1288800 -12.0477 -13.7938 -34.5593 -71.8215 78.2872 80.0408 123.863 55.6201 173.639 PRESSAVG: 1288800 -19.206 -1.22579 -2.75128 -1.2258 -28.1789 -21.4648 -2.75124 -21.4649 21.6311 GPRESSAVG: 1288800 -19.3514 -3.5654 -1.34784 -0.0312348 -27.6586 -21.749 -2.91439 -19.5517 21.5506 TIMING: 1288800 CPU: 3830.35, 0.00301447/step Wall: 3830.35, 0.00301447/step, 3.10759 hours remaining, 205.425781 MB of memory in use. ENERGY: 1288800 737.3236 2123.2033 1962.5112 110.1107 -205879.5139 17732.1712 0.0000 0.0000 34356.4557 -148857.7383 300.0435 -183214.1940 -148768.9739 299.5646 48.0637 79.9594 558907.3615 -8.5846 -8.4864 PRESSURE: 1289000 -76.8466 -113.653 53.5029 -113.652 -79.8323 -33.6181 53.5025 -33.6188 -175.884 GPRESSURE: 1289000 -82.8315 -155.261 93.0508 -100.021 -30.123 59.3357 -1.28113 -150.196 -121.713 PRESSAVG: 1289000 -48.008 -20.5334 18.8936 -20.5335 24.4542 2.56058 18.8936 2.56061 29.0237 GPRESSAVG: 1289000 -47.3838 -19.6073 19.6578 -19.945 24.0666 3.61893 21.2248 0.92132 29.4625 TIMING: 1289000 CPU: 3830.95, 0.00301074/step Wall: 3830.95, 0.00301073/step, 3.10357 hours remaining, 205.425781 MB of memory in use. ENERGY: 1289000 715.5557 2170.7978 1949.2827 116.9907 -205670.7013 17658.3044 0.0000 0.0000 34425.0526 -148634.7175 300.6425 -183059.7701 -148542.0752 299.7942 -110.8541 -78.2226 560347.9183 1.8233 2.0484 PRESSURE: 1289200 108.846 65.959 113.46 65.9599 -0.150911 -29.6004 113.461 -29.6012 -48.1669 GPRESSURE: 1289200 84.4878 105.503 78.3207 91.9597 93.9179 -36.6929 130.793 79.8176 -4.07281 PRESSAVG: 1289200 -31.8124 -13.1756 10.7566 -13.1755 59.5223 8.65198 10.7565 8.65198 -5.52793 GPRESSAVG: 1289200 -32.2659 -15.1741 9.19096 -12.621 60.3354 6.54244 9.11915 10.7116 -5.42722 TIMING: 1289200 CPU: 3831.55, 0.00302081/step Wall: 3831.55, 0.00302081/step, 3.11378 hours remaining, 205.425781 MB of memory in use. ENERGY: 1289200 743.6757 2141.3297 1934.8034 127.6770 -206403.5844 18154.2508 0.0000 0.0000 34558.8419 -148743.0059 301.8110 -183301.8477 -148647.3680 300.6318 20.1761 58.1110 558668.3052 7.3940 7.5474 PRESSURE: 1289400 218.202 10.1792 3.44941 10.1799 114.947 -29.865 3.44791 -29.8647 -55.3802 GPRESSURE: 1289400 265.171 -35.5315 26.5881 -41.4938 169.413 -78.4654 39.7406 -21.918 -51.5765 PRESSAVG: 1289400 -53.189 6.83532 51.7782 6.83529 15.6326 -41.6421 51.7782 -41.642 17.0214 GPRESSAVG: 1289400 -52.6485 8.86327 52.6924 4.81557 15.019 -39.1957 51.3402 -41.7759 16.7872 TIMING: 1289400 CPU: 3832.15, 0.00300231/step Wall: 3832.15, 0.00300231/step, 3.09455 hours remaining, 205.425781 MB of memory in use. ENERGY: 1289400 702.6201 2145.7740 1972.2146 112.5514 -206051.6620 17746.2636 0.0000 0.0000 34371.5328 -149000.7056 300.1751 -183372.2384 -148897.9408 300.2949 92.5897 127.6691 556833.8148 -6.8450 -6.9474 PRESSURE: 1289600 206.663 -5.09608 87.7075 -5.09628 -159.247 -35.4443 87.7087 -35.446 -172.488 GPRESSURE: 1289600 241.24 -105.001 88.9446 67.7036 -140.364 -55.7378 96.0155 -128.085 -132.446 PRESSAVG: 1289600 -59.7221 -4.98519 36.0389 -4.98506 46.0254 -25.0766 36.039 -25.0766 11.0037 GPRESSAVG: 1289600 -60.4934 -5.62008 34.2859 -4.11991 45.3179 -25.5546 37.4768 -27.9775 11.9465 TIMING: 1289600 CPU: 3832.75, 0.00299542/step Wall: 3832.75, 0.00299542/step, 3.08728 hours remaining, 205.425781 MB of memory in use. ENERGY: 1289600 809.8394 2072.2975 1935.3665 113.5402 -206604.4118 18221.7809 0.0000 0.0000 34243.8002 -149207.7870 299.0596 -183451.5873 -149110.0338 299.9203 -41.6905 -10.5232 558389.0491 -0.8977 -1.0763 PRESSURE: 1289800 48.1357 96.0463 22.9348 96.0457 -105.552 -178.04 22.9355 -178.04 -51.5616 GPRESSURE: 1289800 79.5201 84.8213 -37.9087 99.7601 -63.9653 -112.142 68.2102 -113.548 -38.0203 PRESSAVG: 1289800 -35.8849 -8.9769 -22.5755 -8.97688 25.8365 27.9127 -22.5755 27.9125 22.8013 GPRESSAVG: 1289800 -35.159 -8.32294 -20.7819 -9.91227 27.139 29.6564 -25.3722 28.8333 21.4592 TIMING: 1289800 CPU: 3833.35, 0.00296541/step Wall: 3833.35, 0.00296541/step, 3.05619 hours remaining, 205.425781 MB of memory in use. ENERGY: 1289800 727.0473 2103.4725 1947.9032 108.2558 -206109.0578 17737.9133 0.0000 0.0000 34305.8947 -149178.5711 299.6019 -183484.4657 -149078.2692 299.4226 -36.3258 -7.4885 557358.9165 4.2510 4.4797 PRESSURE: 1290000 104.137 -82.8414 4.43559 -82.8416 -157.124 67.0102 4.43476 67.011 66.9491 GPRESSURE: 1290000 130.359 -44.1526 -2.59619 -12.6236 -106.575 50.7851 21.6785 37.9242 89.7183 PRESSAVG: 1290000 -46.9708 22.4203 28.787 22.4204 -21.7495 42.9825 28.7869 42.9826 86.6502 GPRESSAVG: 1290000 -47.3166 22.717 28.6795 21.1517 -22.6754 40.7584 31.2363 43.8623 87.7235 TIMING: 1290000 CPU: 3833.94, 0.00297889/step Wall: 3833.94, 0.00297889/step, 3.06991 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: 1290000 735.1808 2085.7767 1944.6040 112.2532 -206388.2313 17907.4293 0.0000 0.0000 34446.5381 -149156.4493 300.8302 -183602.9874 -149055.9463 299.4844 4.6542 37.8341 557392.3838 5.9766 5.9105 PRESSURE: 1290200 3.72371 33.9866 -1.97466 33.9853 174.032 -3.79818 -1.97578 -3.79989 -112.316 GPRESSURE: 1290200 3.28931 82.4099 -0.92927 95.0673 189.578 -12.2298 -23.2025 -6.4019 -38.9748 PRESSAVG: 1290200 -4.89603 5.13326 25.643 5.13327 -46.2455 18.9128 25.643 18.9128 25.8975 GPRESSAVG: 1290200 -4.31313 3.53068 26.8156 8.25232 -45.6029 20.1029 24.695 18.6671 24.7084 TIMING: 1290200 CPU: 3834.54, 0.00300053/step Wall: 3834.54, 0.00300053/step, 3.09205 hours remaining, 205.425781 MB of memory in use. ENERGY: 1290200 786.1263 2037.3265 1948.7681 110.1959 -206144.8193 17902.2843 0.0000 0.0000 34155.2156 -149204.9027 298.2860 -183360.1183 -149113.2868 299.1866 21.8133 51.2975 558023.0339 -8.4147 -8.4025 PRESSURE: 1290400 -366.414 -15.6808 -26.1497 -15.6801 -15.8533 -55.0643 -26.1494 -55.0648 -28.1441 GPRESSURE: 1290400 -289.609 -72.8284 -81.7683 -7.75056 12.0515 -88.6962 -37.0398 -32.2286 -26.1544 PRESSAVG: 1290400 1.4444 39.6209 51.8697 39.6209 -25.5678 25.0785 51.8699 25.0785 43.7145 GPRESSAVG: 1290400 2.27814 38.7962 50.2835 39.3476 -26.3786 24.5056 52.9834 25.7701 43.6651 TIMING: 1290400 CPU: 3835.15, 0.00302751/step Wall: 3835.15, 0.00302751/step, 3.11968 hours remaining, 205.425781 MB of memory in use. ENERGY: 1290400 770.7299 2118.2794 1903.9928 106.5782 -205588.4580 17384.4773 0.0000 0.0000 34236.1365 -149068.2639 298.9927 -183304.4004 -148975.6927 298.8199 -136.8039 -101.2372 557941.8866 6.5304 6.5216 PRESSURE: 1290600 329.458 113.935 -26.3673 113.936 -27.7686 -79.8406 -26.3675 -79.8403 44.0961 GPRESSURE: 1290600 292.84 95.4687 -45.5832 165.784 53.8581 -52.0116 -36.9228 -89.5927 88.8671 PRESSAVG: 1290600 -6.58027 -24.9044 9.85769 -24.9045 59.9213 81.6814 9.85772 81.6813 -23.6862 GPRESSAVG: 1290600 -6.80398 -22.8468 9.13995 -24.4108 59.9247 82.3777 7.70609 80.07 -23.5175 TIMING: 1290600 CPU: 3835.75, 0.00303109/step Wall: 3835.75, 0.00303109/step, 3.1232 hours remaining, 205.425781 MB of memory in use. ENERGY: 1290600 776.3466 2075.1185 1927.7101 123.8756 -206512.1289 18049.6446 0.0000 0.0000 34288.9183 -149270.5153 299.4537 -183559.4336 -149168.7660 298.7990 115.2617 145.1883 556250.3052 9.8850 9.8677 PRESSURE: 1290800 70.9401 101.317 -31.5954 101.317 254.242 152.551 -31.5954 152.549 -73.4772 GPRESSURE: 1290800 93.5929 163.356 53.6911 69.3029 265.331 57.5163 -34.7322 220.424 -19.6507 PRESSAVG: 1290800 19.2793 -0.813123 -38.0238 -0.8131 51.3431 5.5729 -38.0237 5.57291 -45.8915 GPRESSAVG: 1290800 18.9865 0.439315 -35.2176 -4.60412 51.6222 4.81303 -36.521 5.98392 -46.2097 TIMING: 1290800 CPU: 3836.35, 0.00300488/step Wall: 3836.35, 0.00300488/step, 3.09603 hours remaining, 205.425781 MB of memory in use. ENERGY: 1290800 750.0607 2123.8147 1942.7193 111.0509 -206392.9436 17801.5770 0.0000 0.0000 34291.3844 -149372.3367 299.4752 -183663.7211 -149277.2806 298.4981 83.9017 113.0910 556054.4777 8.2437 8.1330 PRESSURE: 1291000 -10.2754 36.7434 -55.9005 36.7434 -127.649 79.6183 -55.8996 79.6197 -383.692 GPRESSURE: 1291000 21.4809 22.7248 -25.7516 113.927 -60.8441 135.774 -90.8398 86.9248 -381.956 PRESSAVG: 1291000 38.322 16.3914 61.2878 16.3914 9.15482 58.6231 61.2878 58.6231 -30.3516 GPRESSAVG: 1291000 38.2003 13.0521 60.5801 19.9365 9.34352 60.847 59.7103 57.0123 -30.8886 TIMING: 1291000 CPU: 3836.95, 0.00299122/step Wall: 3836.95, 0.00299122/step, 3.08179 hours remaining, 205.425781 MB of memory in use. ENERGY: 1291000 759.8352 2117.7024 1913.6858 128.2416 -206378.9588 17691.2081 0.0000 0.0000 34348.8649 -149419.4207 299.9772 -183768.2856 -149320.5127 299.0134 -173.8720 -140.4399 556532.9546 5.7084 5.5517 PRESSURE: 1291200 -46.2713 186.106 -59.5973 186.107 -135.138 97.348 -59.5979 97.3468 -58.6774 GPRESSURE: 1291200 -67.5739 193.895 -24.8008 163.523 -77.558 111.105 -120.885 28.1955 3.05663 PRESSAVG: 1291200 68.1895 10.2191 -16.9887 10.2191 5.67898 44.952 -16.9886 44.9521 -57.475 GPRESSAVG: 1291200 67.4962 11.2658 -16.427 8.93597 5.7899 43.1784 -16.5676 48.3042 -56.7014 TIMING: 1291200 CPU: 3837.55, 0.00296547/step Wall: 3837.55, 0.00296547/step, 3.05509 hours remaining, 205.425781 MB of memory in use. ENERGY: 1291200 737.6347 2069.1102 1951.0382 129.1008 -206037.9086 17657.0858 0.0000 0.0000 34189.3531 -149304.5857 298.5841 -183493.9389 -149212.2764 299.2613 -80.0290 -47.3584 555963.4459 5.4645 5.5282 PRESSURE: 1291400 -274.271 -28.1405 115.968 -28.141 -125.562 26.6373 115.968 26.6364 -59.0723 GPRESSURE: 1291400 -199.987 10.6207 119.289 -45.8555 -116.198 48.2138 108.586 -24.2973 -59.2191 PRESSAVG: 1291400 -7.04295 5.07419 26.7927 5.07419 -21.9083 34.6281 26.7927 34.628 44.2556 GPRESSAVG: 1291400 -7.92547 6.99356 26.1021 4.53633 -21.2917 34.2272 27.0866 33.6229 44.4403 TIMING: 1291400 CPU: 3838.14, 0.00297854/step Wall: 3838.14, 0.00297854/step, 3.0684 hours remaining, 205.425781 MB of memory in use. ENERGY: 1291400 745.0908 2096.2083 1971.1886 111.6618 -205896.0970 17432.1746 0.0000 0.0000 34369.6692 -149170.1037 300.1589 -183539.7729 -149075.5575 299.3332 -152.9683 -125.1346 557811.8037 5.1015 5.0744 PRESSURE: 1291600 -192.196 -33.5459 43.8489 -33.5454 -151.815 -122.337 43.8466 -122.337 -121.949 GPRESSURE: 1291600 -134.251 5.37145 57.5684 -19.5629 -117.051 -93.8595 40.0937 -91.9358 -114.699 PRESSAVG: 1291600 -40.9843 -12.4423 37.3617 -12.4423 -0.277738 -53.6433 37.3617 -53.6433 42.646 GPRESSAVG: 1291600 -39.9102 -13.2024 38.0104 -10.6716 -1.35195 -52.6504 36.5716 -53.6495 42.7538 TIMING: 1291600 CPU: 3838.74, 0.00298249/step Wall: 3838.74, 0.00298249/step, 3.07229 hours remaining, 205.425781 MB of memory in use. ENERGY: 1291600 768.9840 2103.6246 1941.6739 110.3952 -206154.8112 17742.8777 0.0000 0.0000 34186.5623 -149300.6934 298.5598 -183487.2557 -149200.9738 299.4118 -155.3199 -122.0000 557956.2711 0.4613 0.4972 PRESSURE: 1291800 -206.153 -83.3831 -42.2422 -83.3832 -369.578 -31.4726 -42.2425 -31.4737 -446.643 GPRESSURE: 1291800 -227.51 3.45239 -70.5925 -119.954 -283.316 -63.821 -91.3152 -27.0389 -428.479 PRESSAVG: 1291800 -5.15909 -50.5473 -40.3362 -50.5473 -39.4876 38.0018 -40.3361 38.0018 24.4529 GPRESSAVG: 1291800 -4.77182 -49.5765 -42.8155 -52.3776 -39.678 37.2598 -39.1118 37.8364 24.3447 TIMING: 1291800 CPU: 3839.34, 0.00299093/step Wall: 3839.34, 0.00299093/step, 3.08082 hours remaining, 205.425781 MB of memory in use. ENERGY: 1291800 815.5807 2038.1933 1943.5149 114.2096 -205638.4261 17291.0250 0.0000 0.0000 34045.6993 -149390.2034 297.3296 -183435.9027 -149297.1891 298.8929 -340.7916 -313.1014 558012.0152 -6.7313 -6.7017 PRESSURE: 1292000 -84.6619 -106.887 -11.7534 -106.888 -173.653 -10.4333 -11.753 -10.4343 -251.131 GPRESSURE: 1292000 -64.0526 -140.824 -32.841 -136.293 -162.308 -77.197 -3.3248 82.5079 -178.243 PRESSAVG: 1292000 -16.7043 -34.5377 19.7851 -34.5375 -24.2831 30.4382 19.7852 30.4381 -6.21729 GPRESSAVG: 1292000 -15.8334 -34.1034 18.3705 -35.7232 -23.6754 29.4775 20.5268 33.182 -7.12814 TIMING: 1292000 CPU: 3839.93, 0.00298599/step Wall: 3839.93, 0.00298599/step, 3.07557 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: 1292000 731.5110 2086.9348 1961.6774 104.3877 -205885.0353 17463.3509 0.0000 0.0000 34149.5182 -149387.6553 298.2362 -183537.1735 -149287.9549 298.6153 -169.8153 -134.8677 557758.2623 -15.7349 -15.5456 PRESSURE: 1292200 2.42503 161.743 -80.1497 161.745 -128.249 -117.442 -80.1491 -117.442 99.8202 GPRESSURE: 1292200 62.9213 159.723 -71.4828 193.866 -137.857 -43.6853 -17.1635 -205.446 139.088 PRESSAVG: 1292200 37.4828 -0.159636 -43.5951 -0.159556 -53.7023 -17.2569 -43.5951 -17.2569 22.1424 GPRESSAVG: 1292200 36.0056 -0.706684 -41.3425 1.56935 -53.2055 -15.2375 -44.1686 -20.4666 23.2539 TIMING: 1292200 CPU: 3840.54, 0.00301544/step Wall: 3840.54, 0.00301544/step, 3.10574 hours remaining, 205.425781 MB of memory in use. ENERGY: 1292200 739.8337 2187.6930 1902.5840 103.3550 -206135.6702 17744.5836 0.0000 0.0000 34221.3729 -149236.2481 298.8638 -183457.6210 -149141.4892 299.0255 -8.6678 21.3841 557634.5965 1.9743 2.0180 LDB: ============= START OF LOAD BALANCING ============== 3843.97 LDB: ============== END OF LOAD BALANCING =============== 3843.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3843.97 LDB: ============= START OF LOAD BALANCING ============== 3844.27 LDB: Largest compute 4821 load 0.031774 is 26.9% of average load 0.117965 LDB: Average compute 0.001724 is 1.5% of average load 0.117965 LDB: TIME 3844.28 LOAD: AVG 0.117965 MAX 0.199539 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 3844.28 LOAD: AVG 0.117965 MAX 0.199539 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: TIME 3844.28 LOAD: AVG 0.117965 MAX 0.199539 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3844.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3844.28 PRESSURE: 1292400 -207.448 208.956 241.191 208.955 -150.423 -112.498 241.191 -112.499 -167.301 GPRESSURE: 1292400 -204.341 124.892 203.368 193.241 -82.3479 -152.52 314.582 -130.922 -138.055 PRESSAVG: 1292400 6.47593 39.3549 -11.6874 39.3549 -7.74456 -44.3142 -11.6874 -44.3142 17.1122 GPRESSAVG: 1292400 7.63996 40.8647 -11.7382 39.8959 -9.42184 -46.0835 -10.6434 -43.7883 18.1621 TIMING: 1292400 CPU: 3841.15, 0.00308278/step Wall: 3841.15, 0.00308278/step, 3.17492 hours remaining, 205.871094 MB of memory in use. ENERGY: 1292400 832.0949 2017.1093 1947.8332 104.5112 -205878.3607 17604.9329 0.0000 0.0000 34233.7977 -149138.0814 298.9723 -183371.8792 -149048.1341 299.4479 -175.0573 -141.5816 558124.7064 5.2812 5.4601 PRESSURE: 1292600 55.4603 26.134 -33.6634 26.1335 178.414 -173.384 -33.6632 -173.384 -37.5693 GPRESSURE: 1292600 106.098 7.45552 10.1146 -38.5325 184.085 -131.82 -83.5465 -216.19 2.46922 PRESSAVG: 1292600 49.8109 -3.79914 34.6325 -3.79914 -15.2516 -31.7986 34.6325 -31.7987 6.66929 GPRESSAVG: 1292600 49.9451 -5.28889 34.0738 -4.615 -14.3309 -29.9794 33.1887 -32.5895 5.14067 TIMING: 1292600 CPU: 3841.75, 0.0030068/step Wall: 3841.75, 0.0030068/step, 3.0965 hours remaining, 206.074219 MB of memory in use. ENERGY: 1292600 766.0869 2151.5868 1936.0019 109.2397 -206720.3219 18054.1352 0.0000 0.0000 34365.2550 -149338.0164 300.1203 -183703.2714 -149245.8228 298.9746 65.4350 97.5506 557147.2070 13.7429 13.5850 PRESSURE: 1292800 -328.33 -31.5016 -37.5703 -31.5005 -294.709 48.5645 -37.5694 48.5651 -220.753 GPRESSURE: 1292800 -314.185 33.9848 -75.1049 -106.88 -256.079 -109.823 47.3942 82.6137 -178.834 PRESSAVG: 1292800 29.06 -0.152429 -79.414 -0.152403 -5.53161 -9.97201 -79.4139 -9.97192 -6.03125 GPRESSAVG: 1292800 29.2796 -2.27836 -78.9689 -0.583223 -6.89768 -9.61626 -79.215 -9.27403 -4.42267 TIMING: 1292800 CPU: 3842.35, 0.00299969/step Wall: 3842.35, 0.00299969/step, 3.08902 hours remaining, 206.074219 MB of memory in use. ENERGY: 1292800 754.9602 2192.9679 1936.7951 110.0247 -206137.7977 17533.7792 0.0000 0.0000 34341.6979 -149267.5727 299.9146 -183609.2706 -149169.6850 299.3653 -281.2640 -249.6994 560012.5783 5.8324 5.9864 PRESSURE: 1293000 46.3693 -11.8648 -70.3639 -11.8657 -33.8872 148.188 -70.3634 148.188 -201.463 GPRESSURE: 1293000 72.1723 -24.0539 43.1052 11.8176 -36.2618 74.1933 -90.7773 144.478 -132.155 PRESSAVG: 1293000 -17.5916 23.685 -47.6729 23.6849 26.4597 -6.39618 -47.6729 -6.39616 -22.0002 GPRESSAVG: 1293000 -17.4838 24.3102 -48.2178 25.4459 28.4969 -7.65956 -48.4056 -5.93666 -23.814 TIMING: 1293000 CPU: 3842.96, 0.00303434/step Wall: 3842.96, 0.00303434/step, 3.12453 hours remaining, 206.074219 MB of memory in use. ENERGY: 1293000 766.7394 2033.3547 1942.6321 104.6547 -206246.9780 17743.3352 0.0000 0.0000 34369.0058 -149287.2561 300.1531 -183656.2620 -149189.7362 299.1855 -62.9936 -32.0814 557072.6014 -4.3774 -4.2670 PRESSURE: 1293200 -191.989 232.468 -36.2045 232.468 -242.715 183.33 -36.2058 183.331 -229.529 GPRESSURE: 1293200 -186.977 231.419 7.96216 254.66 -175.025 185.713 -83.7196 108.085 -210.702 PRESSAVG: 1293200 100.653 54.4811 -14.4271 54.481 -21.7924 19.2592 -14.4271 19.2593 5.99678 GPRESSAVG: 1293200 100.702 54.4456 -13.059 54.4683 -22.5662 19.2532 -13.7165 18.8699 6.71417 TIMING: 1293200 CPU: 3843.57, 0.00302131/step Wall: 3843.57, 0.00302131/step, 3.11094 hours remaining, 206.074219 MB of memory in use. ENERGY: 1293200 774.3233 2089.1338 1902.2162 97.5373 -205830.5742 17500.0271 0.0000 0.0000 34134.8857 -149332.4508 298.1084 -183467.3365 -149238.2992 299.9406 -221.4112 -190.9012 556281.6094 28.2857 28.2834 PRESSURE: 1293400 197.891 112.319 -12.6259 112.318 -139.068 214.611 -12.6273 214.611 -103.105 GPRESSURE: 1293400 169.767 90.1368 32.3007 97.5566 -99.1044 203.956 -154.246 178.108 -13.8596 PRESSAVG: 1293400 2.11738 50.3683 26.5855 50.3683 -23.173 -9.78686 26.5857 -9.78675 -16.8784 GPRESSAVG: 1293400 2.23264 52.2063 24.4598 48.9632 -22.6833 -10.4547 28.0683 -8.45414 -17.617 TIMING: 1293400 CPU: 3844.17, 0.00301999/step Wall: 3844.17, 0.00301999/step, 3.10941 hours remaining, 206.074219 MB of memory in use. ENERGY: 1293400 745.7932 2117.5072 1901.4314 106.4648 -206148.9711 17710.9830 0.0000 0.0000 34326.9930 -149239.7985 299.7862 -183566.7915 -149141.8376 299.6209 -14.7607 18.9344 556291.3364 -12.6447 -12.6892 PRESSURE: 1293600 47.4731 8.01834 -180.84 8.01771 53.387 31.7799 -180.839 31.7784 70.7112 GPRESSURE: 1293600 139.107 48.064 -143.751 37.8123 56.3762 35.8154 -178.584 -20.152 76.5081 PRESSAVG: 1293600 20.2245 1.98743 20.3934 1.98739 46.4192 34.5088 20.3935 34.5089 7.16333 GPRESSAVG: 1293600 19.669 -0.209563 21.6304 2.11195 45.7596 36.2286 20.9163 33.1268 8.07719 TIMING: 1293600 CPU: 3844.77, 0.00299941/step Wall: 3844.77, 0.00299941/step, 3.08806 hours remaining, 206.074219 MB of memory in use. ENERGY: 1293600 700.7881 2101.6030 1953.5118 110.3824 -205977.5916 17689.9438 0.0000 0.0000 34220.1659 -149201.1967 298.8532 -183421.3625 -149101.3141 299.0600 57.1904 90.6638 555894.7346 24.6023 24.5019 PRESSURE: 1293800 180.954 -53.6381 27.2793 -53.6381 280.931 -151.692 27.2792 -151.694 -48.3252 GPRESSURE: 1293800 236.181 -78.4845 57.757 31.7945 270.367 -105.615 22.9542 -182.975 13.6898 PRESSAVG: 1293800 72.8297 -3.82897 15.1907 -3.82903 -33.2839 57.6238 15.1907 57.6238 -53.1222 GPRESSAVG: 1293800 73.472 -4.07719 15.1351 -1.97224 -32.8872 56.3539 15.085 57.7804 -54.2679 TIMING: 1293800 CPU: 3845.37, 0.00297915/step Wall: 3845.37, 0.00297915/step, 3.06703 hours remaining, 206.074219 MB of memory in use. ENERGY: 1293800 753.8211 2132.1010 1967.6465 120.5013 -206340.1097 18062.7507 0.0000 0.0000 34257.3237 -149045.9653 299.1777 -183303.2890 -148956.9422 299.7589 137.8532 173.4124 556666.9596 -4.5255 -4.5610 PRESSURE: 1294000 -143.26 100.262 157.948 100.263 -218.765 -28.246 157.949 -28.2455 -89.8552 GPRESSURE: 1294000 -168.598 138.467 242.438 127.773 -184.178 63.0752 123.085 26.952 -0.663668 PRESSAVG: 1294000 -6.36555 38.2103 37.0862 38.2104 4.58372 16.8 37.0861 16.8001 -19.9894 GPRESSAVG: 1294000 -7.20727 40.4704 37.1624 37.5105 4.70355 17.5325 36.6452 16.7623 -18.6985 TIMING: 1294000 CPU: 3845.97, 0.00302185/step Wall: 3845.97, 0.00302185/step, 3.11083 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: 1294000 738.4572 2085.6055 1937.4685 122.4001 -205929.7703 17486.0959 0.0000 0.0000 34467.0806 -149092.6624 301.0096 -183559.7431 -148995.6968 299.7399 -150.6265 -117.8131 556237.2525 -7.2571 -7.0674 PRESSURE: 1294200 -107.545 21.4122 37.9372 21.4108 124.461 -52.3234 37.9365 -52.3234 175.703 GPRESSURE: 1294200 -39.1322 30.5707 -27.4831 0.690801 115.813 -70.4995 36.0841 0.523521 199.662 PRESSAVG: 1294200 6.45921 18.2339 51.9926 18.2338 -21.0407 49.4629 51.9925 49.4629 34.2133 GPRESSAVG: 1294200 7.99377 18.1233 49.311 15.1419 -21.4957 47.7013 51.8112 50.4458 33.1141 TIMING: 1294200 CPU: 3846.57, 0.00299837/step Wall: 3846.57, 0.00299837/step, 3.08649 hours remaining, 206.074219 MB of memory in use. ENERGY: 1294200 706.5460 2132.2328 1958.8160 113.1722 -206043.9588 17716.8953 0.0000 0.0000 34360.8160 -149055.4804 300.0816 -183416.2965 -148966.0547 300.2567 64.2063 92.1142 557867.6061 6.5440 6.5374 PRESSURE: 1294400 -224.831 -122.792 93.3656 -122.791 -38.3399 13.9433 93.3662 13.9432 192.303 GPRESSURE: 1294400 -161.887 -93.7273 112.93 -143.917 -58.3928 -57.4456 102.254 62.4071 246.97 PRESSAVG: 1294400 -21.857 20.5075 44.5295 20.5074 6.88168 39.967 44.5295 39.9669 11.0909 GPRESSAVG: 1294400 -23.0274 19.3266 46.9432 23.7779 7.74674 41.6827 45.6937 38.2057 11.2547 TIMING: 1294400 CPU: 3847.16, 0.00297561/step Wall: 3847.16, 0.00297561/step, 3.0629 hours remaining, 206.074219 MB of memory in use. ENERGY: 1294400 737.3863 2119.6120 1967.5324 108.2854 -206204.6859 17844.9418 0.0000 0.0000 34315.7561 -149111.1720 299.6880 -183426.9281 -149009.1113 299.4672 -23.6227 8.8970 557380.6080 -1.2948 -1.3420 PRESSURE: 1294600 -187.39 -18.8202 -17.4679 -18.8208 -99.1383 155.091 -17.4682 155.091 46.5799 GPRESSURE: 1294600 -164.967 -24.2895 23.9953 -54.2312 -77.5626 62.819 -75.8411 155.311 104.144 PRESSAVG: 1294600 39.0985 -7.34004 -6.5687 -7.34011 -43.9483 -23.2533 -6.56872 -23.2533 -12.2444 GPRESSAVG: 1294600 38.2711 -6.59361 -7.69241 -7.87526 -43.3054 -21.9438 -6.15195 -23.9808 -11.6457 TIMING: 1294600 CPU: 3847.76, 0.00297112/step Wall: 3847.76, 0.00297111/step, 3.0581 hours remaining, 206.074219 MB of memory in use. ENERGY: 1294600 743.1111 2104.3403 1929.0390 109.6958 -205914.1034 17657.5402 0.0000 0.0000 34338.0644 -149032.3126 299.8829 -183370.3770 -148939.7397 299.3845 -79.9828 -46.1284 558656.1635 -5.6981 -5.5600 PRESSURE: 1294800 -55.2404 -88.7187 -58.4969 -88.7185 -28.9186 -70.9937 -58.497 -70.9933 -2.39846 GPRESSURE: 1294800 -27.0903 -89.3085 -57.4846 -54.8527 20.1447 -19.2421 -105.141 -41.4358 13.6086 PRESSAVG: 1294800 5.26375 8.37917 -54.4365 8.3791 -3.04661 4.67416 -54.4365 4.67425 3.49375 GPRESSAVG: 1294800 5.29032 7.64395 -54.3529 6.29564 -4.13728 2.83633 -56.3143 5.27012 4.45491 TIMING: 1294800 CPU: 3848.36, 0.00298201/step Wall: 3848.36, 0.00298201/step, 3.06915 hours remaining, 206.074219 MB of memory in use. ENERGY: 1294800 704.8074 2091.3338 1965.3757 125.6888 -205998.7747 17710.3498 0.0000 0.0000 34176.2887 -149224.9304 298.4700 -183401.2191 -149122.8746 299.0053 -28.8525 2.2210 558968.4509 1.9036 1.8693 PRESSURE: 1295000 -196.941 -13.0003 75.2909 -12.9996 -60.1307 191.372 75.2887 191.373 -169.66 GPRESSURE: 1295000 -159.607 127.659 84.6412 -82.9535 0.104492 203.042 4.83823 181.366 -158.385 PRESSAVG: 1295000 -104.768 35.0176 22.0387 35.0177 57.885 -26.8489 22.0387 -26.8489 66.3003 GPRESSAVG: 1295000 -104.779 35.497 23.7313 37.7573 58.0769 -26.0183 21.6117 -27.9235 65.6793 TIMING: 1295000 CPU: 3848.95, 0.00297608/step Wall: 3848.95, 0.00297608/step, 3.06288 hours remaining, 206.074219 MB of memory in use. ENERGY: 1295000 722.8514 2166.3324 1942.5337 124.6318 -205828.1222 17692.8487 0.0000 0.0000 33980.8914 -149198.0329 296.7636 -183178.9243 -149107.6148 298.7425 -142.2438 -105.9627 560090.1083 6.4725 6.3258 PRESSURE: 1295200 -109.837 5.77511 -94.0195 5.77595 250.441 45.5155 -94.0192 45.5162 -49.9464 GPRESSURE: 1295200 -83.8572 65.8906 -107.87 -4.26333 263.266 36.0228 -112.809 172.244 7.82844 PRESSAVG: 1295200 -24.1075 -4.91394 10.9185 -4.91392 64.0019 8.70581 10.9184 8.70573 -34.8825 GPRESSAVG: 1295200 -23.7668 -5.0547 10.0711 -5.79973 63.3255 8.65484 11.551 12.4038 -34.6319 TIMING: 1295200 CPU: 3849.55, 0.00298575/step Wall: 3849.55, 0.00298575/step, 3.07267 hours remaining, 206.074219 MB of memory in use. ENERGY: 1295200 746.9166 2130.9991 1980.7660 116.4314 -206316.6015 17980.2596 0.0000 0.0000 34184.2043 -149177.0244 298.5392 -183361.2287 -149086.7046 298.9148 30.2190 62.4126 560126.5146 1.6706 1.6423 PRESSURE: 1295400 101.885 56.8534 90.1562 56.8532 -84.669 -65.9775 90.1563 -65.977 -192.926 GPRESSURE: 1295400 162.654 -57.4631 79.3873 30.9473 -49.3662 -82.8176 101.186 -54.2092 -190.213 PRESSAVG: 1295400 -35.0788 -30.7581 21.4197 -30.758 96.7063 42.7677 21.4197 42.7676 -3.16408 GPRESSAVG: 1295400 -33.7398 -32.9758 20.2613 -27.8887 96.7412 43.4232 21.8756 40.7763 -4.34015 TIMING: 1295400 CPU: 3850.14, 0.00298414/step Wall: 3850.14, 0.00298414/step, 3.07084 hours remaining, 206.074219 MB of memory in use. ENERGY: 1295400 740.8665 2116.0023 1957.6346 114.4850 -206124.0431 17744.2909 0.0000 0.0000 34213.9080 -149236.8558 298.7986 -183450.7638 -149140.7503 299.6333 -58.5698 -25.6418 559892.3813 19.4878 19.5538 PRESSURE: 1295600 -106.649 -19.6817 156.374 -19.6828 -43.3434 -51.1309 156.374 -51.1314 221.031 GPRESSURE: 1295600 -30.4025 15.8232 170.93 -89.1759 -12.5108 -55.5318 123.722 25.1493 209.131 PRESSAVG: 1295600 20.4526 -21.4694 24.9809 -21.4694 -5.94785 18.3398 24.9809 18.3397 -38.8785 GPRESSAVG: 1295600 19.5358 -20.8595 26.818 -23.1828 -6.04076 17.1728 23.0243 16.8741 -37.6188 TIMING: 1295600 CPU: 3850.74, 0.00298124/step Wall: 3850.74, 0.00298124/step, 3.06769 hours remaining, 206.074219 MB of memory in use. ENERGY: 1295600 740.2531 2126.3051 1964.2612 118.0559 -206226.9656 17978.4742 0.0000 0.0000 34054.2516 -149245.3645 297.4042 -183299.6161 -149150.0433 298.9184 23.6797 55.4060 558323.2017 -8.1246 -8.0413 PRESSURE: 1295800 -270.013 131.166 -77.1179 131.164 -338.662 -92.7143 -77.1171 -92.7162 -61.6208 GPRESSURE: 1295800 -247.201 137.733 -34.7264 48.5851 -267.39 -90.0051 -113.487 -102.512 -66.0731 PRESSAVG: 1295800 -84.9066 2.41911 38.7812 2.41911 91.8431 -2.84497 38.7812 -2.84493 4.80736 GPRESSAVG: 1295800 -84.5057 2.56895 40.8935 2.637 92.0408 -2.04339 36.8437 -2.20173 4.32237 TIMING: 1295800 CPU: 3851.34, 0.00298277/step Wall: 3851.34, 0.00298277/step, 3.06911 hours remaining, 206.074219 MB of memory in use. ENERGY: 1295800 742.6156 2102.8380 1936.4452 120.8613 -206384.6992 17623.5850 0.0000 0.0000 34586.5162 -149271.8378 302.0526 -183858.3541 -149160.3016 299.7845 -223.4320 -193.5550 558302.6464 3.9146 3.9525 PRESSURE: 1296000 18.2029 -128.749 -109.434 -128.75 25.0477 -90.6396 -109.433 -90.6396 -89.8748 GPRESSURE: 1296000 -8.75817 -194.899 -208.862 -140.051 34.1611 -138.006 -28.1806 -68.2488 3.79281 PRESSAVG: 1296000 4.8669 -81.0211 -6.064 -81.0211 10.565 12.916 -6.06393 12.916 30.6452 GPRESSAVG: 1296000 2.87802 -82.2305 -10.3469 -79.4569 12.3995 11.1974 -2.93725 14.1874 31.099 TIMING: 1296000 CPU: 3851.94, 0.00302754/step Wall: 3851.94, 0.00302754/step, 3.115 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: 1296000 724.6223 2015.6673 1964.6600 128.6999 -206219.8104 17865.3928 0.0000 0.0000 34247.8840 -149272.8841 299.0953 -183520.7682 -149177.3661 299.3432 -15.5414 9.7319 558346.4341 15.3590 15.4588 PRESSURE: 1296200 -35.849 -127.318 -74.6929 -127.317 -0.298342 -152.661 -74.6932 -152.662 -42.6528 GPRESSURE: 1296200 26.0316 -145.345 -22.4243 -83.0525 37.7402 -124.167 -105.503 -118.152 -51.2857 PRESSAVG: 1296200 -58.2615 -34.6559 -60.516 -34.6559 44.6004 -70.4211 -60.516 -70.421 28.7769 GPRESSAVG: 1296200 -56.9004 -32.3142 -60.2295 -36.8204 44.3651 -69.6147 -59.4453 -69.0312 27.8093 TIMING: 1296200 CPU: 3852.54, 0.00299969/step Wall: 3852.54, 0.00299969/step, 3.08618 hours remaining, 206.074219 MB of memory in use. ENERGY: 1296200 719.3552 2120.3533 1934.8978 132.3997 -206070.1047 17746.1202 0.0000 0.0000 34338.7737 -149078.2049 299.8891 -183416.9786 -148984.5663 299.1314 -26.2667 4.1621 559190.1042 5.0386 5.0913 LDB: ============= START OF LOAD BALANCING ============== 3855.97 LDB: ============== END OF LOAD BALANCING =============== 3855.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3855.97 LDB: ============= START OF LOAD BALANCING ============== 3856.28 LDB: Largest compute 4821 load 0.031056 is 26.3% of average load 0.117973 LDB: Average compute 0.001716 is 1.5% of average load 0.117973 LDB: TIME 3856.28 LOAD: AVG 0.117973 MAX 0.197656 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.902 MB LDB: TIME 3856.28 LOAD: AVG 0.117973 MAX 0.197656 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.902 MB LDB: TIME 3856.28 LOAD: AVG 0.117973 MAX 0.197656 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3856.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3856.29 PRESSURE: 1296400 -0.147251 -109.436 -75.343 -109.437 -260.098 -196.3 -75.3426 -196.298 -345.273 GPRESSURE: 1296400 45.4258 -210.054 -60.8492 -39.4603 -181.112 -241.312 -32.5978 -137.952 -368.261 PRESSAVG: 1296400 -24.4397 -16.1774 -27.5176 -16.1775 50.074 -27.4084 -27.5177 -27.4084 -53.3346 GPRESSAVG: 1296400 -24.1195 -16.6049 -26.9643 -17.728 49.7981 -27.8141 -28.1374 -28.5721 -53.4443 TIMING: 1296400 CPU: 3853.16, 0.00306482/step Wall: 3853.16, 0.00306482/step, 3.15301 hours remaining, 206.382812 MB of memory in use. ENERGY: 1296400 749.9912 2083.5592 1931.0784 122.0145 -205692.2743 17562.5093 0.0000 0.0000 34233.2324 -149009.8894 298.9673 -183243.1218 -148909.7924 299.7205 -201.8394 -167.9825 557965.4301 -9.2334 -9.2552 PRESSURE: 1296600 205.63 141.53 127.234 141.53 -22.8346 -16.2927 127.233 -16.2935 12.7059 GPRESSURE: 1296600 217.543 165.684 119.448 142.56 8.22927 30.9348 148.121 -49.0584 85.4893 PRESSAVG: 1296600 118.391 25.0325 2.56663 25.0325 -50.0721 -82.6888 2.56672 -82.6888 -37.5818 GPRESSAVG: 1296600 118.456 24.92 4.68142 25.9196 -49.6526 -80.8657 1.79444 -83.6091 -37.8106 TIMING: 1296600 CPU: 3853.76, 0.00301556/step Wall: 3853.76, 0.00301556/step, 3.10217 hours remaining, 206.382812 MB of memory in use. ENERGY: 1296600 733.4364 2122.0017 1955.1304 115.0712 -206348.4065 17950.1859 0.0000 0.0000 34494.5749 -148978.0060 301.2497 -183472.5809 -148878.3941 300.1216 65.1670 103.7539 557364.0631 10.2456 10.3309 PRESSURE: 1296800 -265.816 34.233 -73.3844 34.2335 -62.8301 -231.78 -73.3836 -231.78 -243.831 GPRESSURE: 1296800 -227.657 13.6364 -78.0692 91.1238 45.5111 -162.162 -75.81 -283.203 -276.99 PRESSAVG: 1296800 -12.7121 -50.5311 4.40926 -50.531 -3.95829 -81.9558 4.40932 -81.9558 37.9075 GPRESSAVG: 1296800 -13.2377 -51.2784 3.32465 -49.1409 -4.81144 -83.7673 5.14531 -81.7997 39.5774 TIMING: 1296800 CPU: 3854.36, 0.00298787/step Wall: 3854.36, 0.00298787/step, 3.07353 hours remaining, 206.382812 MB of memory in use. ENERGY: 1296800 753.6548 2130.0045 1958.4287 117.4758 -205743.7478 17480.4314 0.0000 0.0000 34356.4676 -148947.2849 300.0436 -183303.7526 -148854.9893 300.3083 -190.8255 -153.0452 558284.7020 7.0790 7.1761 PRESSURE: 1297000 80.2638 261.403 -44.7673 261.403 -35.2298 193.526 -44.7663 193.526 72.3831 GPRESSURE: 1297000 104.346 197.173 1.3345 250.974 -67.1215 200.495 -41.0455 210.333 179.703 PRESSAVG: 1297000 9.51703 -9.12698 -31.2611 -9.12696 -18.7444 -16.753 -31.2611 -16.753 27.1981 GPRESSAVG: 1297000 9.6016 -9.21901 -34.979 -7.68796 -19.6828 -14.2117 -30.2744 -17.1623 27.221 TIMING: 1297000 CPU: 3854.96, 0.00300453/step Wall: 3854.96, 0.00300453/step, 3.0905 hours remaining, 206.382812 MB of memory in use. ENERGY: 1297000 751.2385 2153.9781 1964.8096 128.2594 -206250.3297 17897.2798 0.0000 0.0000 34404.9384 -148949.8260 300.4669 -183354.7643 -148858.8313 299.9504 39.1390 72.3090 558334.5953 5.9902 5.7133 PRESSURE: 1297200 64.2253 0.443713 168.083 0.443279 -272.041 94.6222 168.083 94.6213 -221.928 GPRESSURE: 1297200 69.1981 -19.993 233.395 7.23353 -255.97 114.968 116.242 75.3231 -150.923 PRESSAVG: 1297200 -41.8988 -0.542539 -0.120917 -0.542536 -12.3743 -4.65898 -0.12095 -4.65901 52.879 GPRESSAVG: 1297200 -42.3789 -0.384418 1.80201 -1.7744 -11.7277 -4.96605 0.901481 -6.30167 52.5531 TIMING: 1297200 CPU: 3855.56, 0.00298938/step Wall: 3855.56, 0.00298938/step, 3.07475 hours remaining, 206.382812 MB of memory in use. ENERGY: 1297200 745.2869 2124.8226 1939.6731 118.5159 -205901.1470 17833.0732 0.0000 0.0000 34071.0700 -149068.7053 297.5511 -183139.7753 -148974.3176 299.5350 -143.2477 -112.5650 558848.4892 -0.4647 -0.5178 PRESSURE: 1297400 -194.504 8.05685 27.1887 8.0567 -25.6089 14.6789 27.1889 14.679 42.6693 GPRESSURE: 1297400 -110.017 -9.60674 -28.7516 -12.0598 15.4322 68.7516 4.32921 19.7018 21.3266 PRESSAVG: 1297400 46.9605 -16.5329 35.6253 -16.5329 -13.1513 16.7222 35.6254 16.7222 -23.338 GPRESSAVG: 1297400 47.2314 -16.8859 37.506 -15.4329 -12.8168 15.6128 32.9145 18.2243 -23.7953 TIMING: 1297400 CPU: 3856.15, 0.00299834/step Wall: 3856.15, 0.00299834/step, 3.08379 hours remaining, 206.382812 MB of memory in use. ENERGY: 1297400 730.6047 2100.6298 1964.5744 105.7478 -206008.2668 17706.4809 0.0000 0.0000 34181.5794 -149218.6498 298.5162 -183400.2292 -149122.0468 299.1464 -59.1479 -24.4193 556898.0164 3.4904 3.5398 PRESSURE: 1297600 239.536 5.63652 -4.77281 5.63598 143.148 5.59454 -4.7722 5.59511 63.2482 GPRESSURE: 1297600 272.053 -47.9658 -7.04918 -13.9144 148.4 -55.9889 -13.1815 83.8294 109.128 PRESSAVG: 1297600 23.9622 -8.59737 71.1966 -8.59741 -6.95665 -30.1269 71.1966 -30.127 9.44151 GPRESSAVG: 1297600 25.0108 -6.47909 69.1382 -10.5743 -6.74139 -30.0087 73.745 -30.1007 9.07744 TIMING: 1297600 CPU: 3856.75, 0.0029877/step Wall: 3856.75, 0.0029877/step, 3.07269 hours remaining, 206.382812 MB of memory in use. ENERGY: 1297600 742.6421 2125.9594 1944.5763 129.2873 -206246.3075 17934.8809 0.0000 0.0000 34233.3534 -149135.6081 298.9684 -183368.9615 -149042.7402 299.0383 148.6441 176.5268 556375.9141 8.8157 9.1156 PRESSURE: 1297800 86.9515 79.0147 77.7983 79.0158 -69.9629 -132.877 77.7982 -132.877 -65.5321 GPRESSURE: 1297800 123.38 174.483 131.527 59.1857 -75.3036 -175.858 40.4713 -141.937 7.48277 PRESSAVG: 1297800 21.8474 56.3395 1.37434 56.3395 -8.56454 3.31651 1.37435 3.31655 -21.7899 GPRESSAVG: 1297800 20.4639 55.1472 3.42036 58.3098 -8.33498 2.40184 0.362991 4.15689 -20.8147 TIMING: 1297800 CPU: 3857.35, 0.0029768/step Wall: 3857.35, 0.0029768/step, 3.06131 hours remaining, 206.382812 MB of memory in use. ENERGY: 1297800 771.0952 2056.0485 1924.9708 115.6833 -206441.7889 18017.6004 0.0000 0.0000 34108.7130 -149447.6777 297.8799 -183556.3907 -149356.3853 298.5955 -16.1812 18.5197 557443.1452 -2.8357 -2.8953 PRESSURE: 1298000 29.2789 -87.6544 25.8468 -87.6542 -180.799 83.2685 25.8464 83.2688 -318.984 GPRESSURE: 1298000 99.7856 -188.253 -26.7609 -42.3645 -190.835 45.7504 56.6253 86.0828 -288.576 PRESSAVG: 1298000 -10.0929 13.8383 -28.8171 13.8382 29.7311 -33.4752 -28.817 -33.4752 -2.87927 GPRESSAVG: 1298000 -9.74227 14.7665 -31.2879 13.5959 30.1066 -32.6149 -27.07 -34.6135 -3.59931 TIMING: 1298000 CPU: 3857.95, 0.00298907/step Wall: 3857.95, 0.00298906/step, 3.07375 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: 1298000 777.1669 2068.6190 1920.6182 111.6132 -206274.0991 17674.9938 0.0000 0.0000 34182.8345 -149538.2535 298.5272 -183721.0880 -149448.3681 298.8388 -156.8347 -126.5418 556172.4826 5.5863 5.5883 PRESSURE: 1298200 -147.787 7.22422 -23.2556 7.22394 167.58 36.5446 -23.2545 36.5441 -192.737 GPRESSURE: 1298200 -128.432 32.2236 -5.85664 -10.0575 193.214 -42.2488 -20.455 115.657 -143.783 PRESSAVG: 1298200 -54.7668 -1.17804 -11.5019 -1.17813 83.02 33.2044 -11.5019 33.2046 8.10129 GPRESSAVG: 1298200 -55.0966 -0.392915 -9.52711 -3.54135 82.2786 34.2009 -13.4823 33.0276 9.21148 TIMING: 1298200 CPU: 3858.54, 0.00298201/step Wall: 3858.54, 0.00298201/step, 3.06634 hours remaining, 206.382812 MB of memory in use. ENERGY: 1298200 748.3975 2090.3909 1960.6512 105.6102 -206772.9674 17889.8364 0.0000 0.0000 34366.0959 -149611.9853 300.1277 -183978.0812 -149517.6729 298.8847 -57.6482 -26.3338 557386.9937 12.1182 12.1312 PRESSURE: 1298400 129.936 -121.268 55.2873 -121.267 201.418 82.4218 55.2879 82.4213 -22.7517 GPRESSURE: 1298400 173.157 -182.249 -25.6305 -68.6909 219.969 15.2575 22.9823 93.8504 9.97048 PRESSAVG: 1298400 -19.862 -22.1917 -52.8225 -22.1918 13.7422 42.5541 -52.8225 42.5541 43.6597 GPRESSAVG: 1298400 -18.4025 -23.552 -54.8019 -20.398 13.2216 40.7884 -51.0924 43.3062 42.5008 TIMING: 1298400 CPU: 3859.14, 0.00300165/step Wall: 3859.14, 0.00300165/step, 3.08636 hours remaining, 206.382812 MB of memory in use. ENERGY: 1298400 748.0312 2068.3590 1941.5165 108.0678 -206773.4994 18149.0299 0.0000 0.0000 34151.7894 -149606.7055 298.2561 -183758.4948 -149515.5293 298.0393 102.8675 134.3657 558178.3111 12.5133 12.4400 PRESSURE: 1298600 52.4365 -160.27 116.472 -160.27 189.314 -246.954 116.472 -246.955 143.082 GPRESSURE: 1298600 86.4849 -188.429 160.852 -167.423 247.995 -250.589 180.934 -210.122 144.843 PRESSAVG: 1298600 -19.1836 -46.0702 -2.28406 -46.0702 -22.6945 -5.49031 -2.28398 -5.49037 25.511 GPRESSAVG: 1298600 -20.4316 -47.1645 0.388199 -45.1499 -21.5482 -3.95476 -2.19085 -7.45603 25.7318 TIMING: 1298600 CPU: 3859.74, 0.00300543/step Wall: 3859.74, 0.00300543/step, 3.09008 hours remaining, 206.382812 MB of memory in use. ENERGY: 1298600 704.4428 2074.9395 1950.8718 111.4664 -206302.1232 17823.4752 0.0000 0.0000 34054.4421 -149582.4855 297.4059 -183636.9276 -149484.7718 297.4526 128.2772 159.7743 557031.8535 -5.4557 -5.4160 PRESSURE: 1298800 -22.2366 -44.6931 -39.6139 -44.6948 -94.9583 -13.8087 -39.6123 -13.8083 223.698 GPRESSURE: 1298800 66.2459 -67.8785 -74.4394 -15.7319 -105.647 11.3097 -13.4277 -27.7634 240.39 PRESSAVG: 1298800 -9.96264 -6.62123 17.5823 -6.62117 -22.52 -54.3502 17.5823 -54.3502 21.4991 GPRESSAVG: 1298800 -10.4856 -6.3415 16.8831 -5.06631 -21.797 -54.3122 15.7491 -52.6106 21.7825 TIMING: 1298800 CPU: 3860.35, 0.00301622/step Wall: 3860.35, 0.00301622/step, 3.10101 hours remaining, 206.382812 MB of memory in use. ENERGY: 1298800 747.4979 2114.7848 1944.0173 113.7041 -206592.6403 17871.6271 0.0000 0.0000 34257.9702 -149543.0390 299.1834 -183801.0092 -149447.2415 298.5364 35.5010 66.9961 556501.2042 -3.6612 -3.5001 PRESSURE: 1299000 -121.18 146.982 52.8137 146.981 -44.8681 111.428 52.8138 111.428 -29.9207 GPRESSURE: 1299000 -87.5713 101.66 116.774 122.073 -12.9667 88.657 14.2594 52.3525 5.35984 PRESSAVG: 1299000 54.6665 -3.51141 15.7603 -3.51141 -17.4658 6.83275 15.7603 6.8328 -14.7482 GPRESSAVG: 1299000 56.0567 -1.54824 15.621 -5.74243 -18.0684 5.50392 16.6493 6.26274 -15.8135 TIMING: 1299000 CPU: 3860.95, 0.00299966/step Wall: 3860.95, 0.00299966/step, 3.08382 hours remaining, 206.382812 MB of memory in use. ENERGY: 1299000 727.3193 2152.5841 1945.4226 109.8764 -206547.0557 17748.9868 0.0000 0.0000 34262.5311 -149600.3354 299.2232 -183862.8665 -149498.9243 298.2543 -65.3229 -31.7261 557694.5504 7.4842 7.3916 PRESSURE: 1299200 53.1237 83.2068 48.5076 83.2071 -91.9515 172.843 48.5078 172.841 -144.044 GPRESSURE: 1299200 40.1884 52.4771 61.2939 100.731 -12.5831 153.399 69.2967 135.359 -117.513 PRESSAVG: 1299200 -2.09695 26.0022 -24.3928 26.0022 -38.0743 -16.5107 -24.3927 -16.5107 19.7678 GPRESSAVG: 1299200 -3.33514 24.2681 -23.6456 26.0918 -38.2804 -16.2154 -26.8064 -15.4556 21.5207 TIMING: 1299200 CPU: 3861.55, 0.00302536/step Wall: 3861.55, 0.00302536/step, 3.11007 hours remaining, 206.382812 MB of memory in use. ENERGY: 1299200 738.5555 2084.1688 1963.8813 127.8117 -206386.2876 17829.5645 0.0000 0.0000 34045.9797 -149596.3261 297.3320 -183642.3058 -149508.9763 297.8219 -60.9573 -29.9694 557881.6562 -6.8012 -6.6983 PRESSURE: 1299400 -182.191 29.3985 -95.4031 29.3992 -146.693 78.0164 -95.4036 78.0154 -108.898 GPRESSURE: 1299400 -102.868 -22.2249 -220.011 176.147 -174.234 101.87 25.2393 101.876 -60.532 PRESSAVG: 1299400 10.4807 22.6903 -54.708 22.6903 -7.6376 9.9213 -54.7081 9.92136 42.5882 GPRESSAVG: 1299400 11.6499 23.2773 -56.5067 22.9547 -7.04638 11.1746 -53.1856 8.71613 40.9817 TIMING: 1299400 CPU: 3862.16, 0.00301802/step Wall: 3862.16, 0.00301802/step, 3.10235 hours remaining, 206.382812 MB of memory in use. ENERGY: 1299400 782.6969 2152.8063 1931.9350 114.8625 -206481.6433 17761.8548 0.0000 0.0000 34147.6168 -149589.8710 298.2196 -183737.4878 -149492.2385 297.6188 -145.9274 -112.5445 556399.6321 15.1438 15.1951 PRESSURE: 1299600 123.661 -88.9738 -209.723 -88.9746 -3.27109 64.3285 -209.722 64.3288 165.868 GPRESSURE: 1299600 236.55 -75.5587 -168.052 -124.526 37.7142 0.458531 -123.841 175.262 98.1514 PRESSAVG: 1299600 -9.90536 15.5083 -38.9695 15.5084 -38.0881 81.2857 -38.9695 81.2857 70.2513 GPRESSAVG: 1299600 -9.86992 16.9224 -37.9766 14.0946 -37.9285 81.5274 -37.1698 81.4289 70.3396 TIMING: 1299600 CPU: 3862.76, 0.00300336/step Wall: 3862.76, 0.00300336/step, 3.08712 hours remaining, 206.382812 MB of memory in use. ENERGY: 1299600 736.8661 2126.6087 1943.0762 110.4448 -206517.2758 17993.3818 0.0000 0.0000 33994.1167 -149612.7816 296.8791 -183606.8982 -149518.8057 298.4191 95.4192 124.1385 556557.5232 7.4193 7.5137 PRESSURE: 1299800 112.658 21.1616 19.2684 21.1618 -63.6375 1.78993 19.2689 1.7892 3.50314 GPRESSURE: 1299800 49.4079 11.039 42.2927 62.2134 27.2423 -77.2187 -65.9982 -75.1899 83.0251 PRESSAVG: 1299800 -15.9651 -1.84806 3.55762 -1.84803 -1.55685 17.1405 3.55762 17.1406 39.5113 GPRESSAVG: 1299800 -15.6224 -4.49834 6.42323 0.0566546 -1.74082 13.1697 0.228606 18.7103 39.9295 TIMING: 1299800 CPU: 3863.36, 0.00301371/step Wall: 3863.36, 0.00301371/step, 3.09759 hours remaining, 206.382812 MB of memory in use. ENERGY: 1299800 728.8537 2117.4437 1917.1957 104.9448 -206579.6146 17959.5003 0.0000 0.0000 34189.4152 -149562.2612 298.5847 -183751.6763 -149469.8287 298.3261 17.5080 53.2251 558338.8591 7.3298 7.5221 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1300000 WRITING COORDINATES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART COORDINATES PRESSURE: 1300000 125.66 -137.677 140.096 -137.677 -192.748 164.937 140.095 164.938 64.3901 GPRESSURE: 1300000 106.304 -143.685 140.189 -148.502 -166.766 213.252 118.927 65.4722 160.083 PRESSAVG: 1300000 15.2738 51.2055 0.174659 51.2055 -14.2356 36.9733 0.174673 36.9732 5.38102 GPRESSAVG: 1300000 14.9501 53.3807 -3.05668 50.2894 -14.24 41.1863 1.76499 36.5732 5.44423 TIMING: 1300000 CPU: 3863.97, 0.00303329/step Wall: 3863.97, 0.00303329/step, 3.11755 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: 1300000 747.5588 2141.5195 1953.5263 109.1615 -206438.3723 17815.3384 0.0000 0.0000 34041.0511 -149630.2166 297.2890 -183671.2677 -149537.3061 298.6903 -0.8991 33.2068 557152.9245 2.1397 2.0514 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 WRITING VELOCITIES TO RESTART FILE AT STEP 1300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1300200 -175.274 -70.1388 115.187 -70.1379 -32.4785 183.313 115.186 183.314 57.5168 GPRESSURE: 1300200 -149.144 -61.8237 91.3602 -44.1089 88.1127 130.499 113.3 211.128 10.8751 PRESSAVG: 1300200 -21.2665 13.5897 -37.9319 13.5898 22.7654 40.4146 -37.9318 40.4146 -1.62766 GPRESSAVG: 1300200 -21.4103 12.741 -36.8746 12.2317 23.3051 41.1841 -38.4625 39.3278 -2.53942 TIMING: 1300200 CPU: 3864.57, 0.00301507/step Wall: 3864.57, 0.00301507/step, 3.09865 hours remaining, 206.507812 MB of memory in use. ENERGY: 1300200 729.3349 2046.0981 1968.6856 113.7292 -206776.3755 17901.5793 0.0000 0.0000 34208.9781 -149807.9703 298.7555 -184016.9484 -149716.7594 298.2291 -50.0787 -16.7188 558366.0421 -0.0429 -0.2149 LDB: ============= START OF LOAD BALANCING ============== 3868 LDB: ============== END OF LOAD BALANCING =============== 3868 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3868 LDB: ============= START OF LOAD BALANCING ============== 3868.3 LDB: Largest compute 4821 load 0.032094 is 27.2% of average load 0.118014 LDB: Average compute 0.001722 is 1.5% of average load 0.118014 LDB: TIME 3868.3 LOAD: AVG 0.118014 MAX 0.193151 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 3868.31 LOAD: AVG 0.118014 MAX 0.193151 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.129 MB LDB: TIME 3868.31 LOAD: AVG 0.118014 MAX 0.193151 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.129 MB LDB: ============== END OF LOAD BALANCING =============== 3868.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3868.31 PRESSURE: 1300400 207.475 143.296 -135.36 143.295 -140.339 -60.3527 -135.361 -60.3516 95.0988 GPRESSURE: 1300400 194.918 66.4595 -143.688 135.81 -31.8741 -54.866 -101.693 -65.9718 95.0725 PRESSAVG: 1300400 13.6422 5.39059 5.30957 5.39068 4.97697 31.9171 5.3096 31.9171 -22.6418 GPRESSAVG: 1300400 14.4137 4.73653 6.64447 6.08564 5.35165 30.2762 5.92237 33.197 -23.3123 TIMING: 1300400 CPU: 3865.18, 0.00306862/step Wall: 3865.18, 0.00306862/step, 3.15352 hours remaining, 205.484375 MB of memory in use. ENERGY: 1300400 750.0512 2045.3186 1957.8611 112.7810 -206668.2731 18076.8170 0.0000 0.0000 33976.8123 -149748.6319 296.7280 -183725.4442 -149657.4155 297.8621 54.0782 86.0388 558460.2269 -1.3409 -1.1823 PRESSURE: 1300600 364.809 -47.9922 -28.2101 -47.994 334.627 -79.8007 -28.2106 -79.801 366.514 GPRESSURE: 1300600 396.327 -13.3946 -24.4536 -82.8502 411.205 -68.5126 -11.1161 -102.736 350.228 PRESSAVG: 1300600 32.4839 -20.1311 -33.6074 -20.1312 -1.06404 -66.4455 -33.6076 -66.4454 -42.9546 GPRESSAVG: 1300600 32.6425 -19.5877 -36.0768 -18.7332 -1.09148 -67.5563 -33.3548 -66.3548 -43.0561 TIMING: 1300600 CPU: 3865.78, 0.00299586/step Wall: 3865.78, 0.00299586/step, 3.07858 hours remaining, 205.484375 MB of memory in use. ENERGY: 1300600 745.4630 2110.2920 1958.3292 100.2050 -207175.3791 18503.1715 0.0000 0.0000 34036.3785 -149721.5401 297.2482 -183757.9186 -149627.7810 296.9917 355.3167 385.9201 556917.7684 -3.8449 -3.8350 PRESSURE: 1300800 -29.0348 -78.3539 -117.68 -78.3525 60.7857 -34.673 -117.681 -34.6724 132.589 GPRESSURE: 1300800 -57.299 -32.8566 -179.035 -139.704 83.6793 28.3466 -148.994 -2.89515 232.788 PRESSAVG: 1300800 -3.98657 11.3663 4.63755 11.3665 -40.8426 -14.3773 4.63753 -14.3772 13.0022 GPRESSAVG: 1300800 -4.75625 11.9982 5.7985 10.68 -41.0895 -14.6071 4.13389 -14.5921 13.564 TIMING: 1300800 CPU: 3866.37, 0.00296234/step Wall: 3866.37, 0.00296234/step, 3.04397 hours remaining, 205.484375 MB of memory in use. ENERGY: 1300800 735.2280 2033.5318 1944.8816 116.3120 -206728.4969 18145.8628 0.0000 0.0000 34097.6717 -149655.0089 297.7834 -183752.6806 -149560.2275 297.3825 54.7801 86.3893 558895.0621 -10.6090 -10.7606 PRESSURE: 1301000 -240.378 -115.183 61.531 -115.182 -201.943 162.388 61.5335 162.388 -282.866 GPRESSURE: 1301000 -224.4 -46.9016 71.6368 -208.617 -173.726 124.435 22.866 211.245 -229.385 PRESSAVG: 1301000 61.3737 7.39488 -8.04073 7.39491 2.54436 -12.6552 -8.04065 -12.6552 -44.202 GPRESSAVG: 1301000 62.0842 8.99707 -8.99992 5.72364 0.936064 -12.316 -6.9941 -11.765 -42.6427 TIMING: 1301000 CPU: 3866.97, 0.00296694/step Wall: 3866.97, 0.00296694/step, 3.04853 hours remaining, 205.484375 MB of memory in use. ENERGY: 1301000 746.0849 2052.2305 1944.3382 119.1012 -205918.1214 17346.4307 0.0000 0.0000 33978.6325 -149731.3035 296.7438 -183709.9360 -149636.9241 297.4052 -241.7291 -209.1702 557924.0506 6.5720 6.7925 PRESSURE: 1301200 -272.988 -2.14028 -153.825 -2.14007 5.29196 152.251 -153.825 152.252 -142.485 GPRESSURE: 1301200 -215.491 -11.92 -143.773 20.4385 6.42256 164.16 -218.313 134.263 -90.2836 PRESSAVG: 1301200 -7.3603 -3.74222 -30.3866 -3.74224 13.1859 54.3346 -30.3867 54.3346 -5.81595 GPRESSAVG: 1301200 -7.5785 -5.64872 -30.7051 -2.60186 14.6236 53.2755 -30.8373 54.2886 -6.96739 TIMING: 1301200 CPU: 3867.57, 0.00299936/step Wall: 3867.57, 0.00299936/step, 3.08168 hours remaining, 205.484375 MB of memory in use. ENERGY: 1301200 766.8922 2072.1632 1940.4875 116.9411 -206156.8247 17642.2005 0.0000 0.0000 33958.6699 -149659.4703 296.5695 -183618.1402 -149567.0873 296.9940 -136.7271 -99.7842 556540.1140 0.0032 0.0259 PRESSURE: 1301400 98.6839 -84.6498 -100.571 -84.6497 -310.38 55.6009 -100.571 55.6015 23.6509 GPRESSURE: 1301400 177.989 -10.0468 -151.722 -97.5972 -350.164 -41.4689 -88.7818 63.1745 74.9494 PRESSAVG: 1301400 -4.73767 -0.560346 -63.0146 -0.560289 14.8321 22.6576 -63.0146 22.6577 -48.2959 GPRESSAVG: 1301400 -3.81921 1.06481 -61.0632 0.280188 13.2401 23.6347 -64.7308 22.4577 -47.5571 TIMING: 1301400 CPU: 3868.16, 0.00298355/step Wall: 3868.16, 0.00298355/step, 3.06527 hours remaining, 205.484375 MB of memory in use. ENERGY: 1301400 787.3834 2089.8107 1937.7049 124.0819 -206382.5886 17870.2610 0.0000 0.0000 34050.1503 -149523.1963 297.3684 -183573.3467 -149428.4193 297.0095 -62.6817 -32.4087 557629.9510 -12.7338 -12.7121 PRESSURE: 1301600 143.657 18.9987 0.106296 18.9989 -24.6225 -55.8636 0.104943 -55.8634 82.414 GPRESSURE: 1301600 181.237 -32.9012 -50.6629 25.0367 3.13421 -172.451 0.204567 -64.7208 117.363 PRESSAVG: 1301600 -34.2433 20.8746 3.69113 20.8746 -43.5108 4.88894 3.69114 4.88901 28.4018 GPRESSAVG: 1301600 -34.6792 18.0258 3.07255 22.1302 -43.6327 4.81062 4.48726 4.25074 27.8615 TIMING: 1301600 CPU: 3868.76, 0.00300003/step Wall: 3868.76, 0.00300003/step, 3.08204 hours remaining, 205.484375 MB of memory in use. ENERGY: 1301600 714.1230 2044.0659 1946.9555 129.7376 -206546.5343 18180.4840 0.0000 0.0000 34061.7564 -149469.4119 297.4698 -183531.1683 -149372.0449 297.7987 67.1496 100.5780 558316.6361 -16.4508 -16.8168 PRESSURE: 1301800 -45.5874 -70.1557 -70.6899 -70.1527 137.748 -94.8406 -70.6888 -94.841 83.2246 GPRESSURE: 1301800 11.4379 -111.541 -105.557 -144.912 97.804 -36.2541 -6.87209 -133.126 164.459 PRESSAVG: 1301800 22.4787 44.8731 -43.8305 44.8731 -2.68042 -33.0239 -43.8305 -33.0239 -4.71422 GPRESSAVG: 1301800 22.4213 47.6927 -44.8703 40.299 -1.49813 -31.6264 -43.4428 -34.3796 -5.3243 TIMING: 1301800 CPU: 3869.36, 0.0029701/step Wall: 3869.36, 0.0029701/step, 3.05111 hours remaining, 205.484375 MB of memory in use. ENERGY: 1301800 729.9239 2115.4871 1958.4558 116.3691 -206623.5932 17922.6584 0.0000 0.0000 34536.4198 -149244.2789 301.6151 -183780.6988 -149152.7392 298.5790 58.4616 91.2335 557078.2742 5.0280 5.1996 PRESSURE: 1302000 -232.556 135.613 -46.2343 135.613 134.327 55.0303 -46.2346 55.0317 -69.9149 GPRESSURE: 1302000 -176.781 117.274 -21.823 84.2664 146.6 -32.1302 -26.476 56.3326 -43.7656 PRESSAVG: 1302000 -57.7589 41.8575 24.5066 41.8576 73.6718 -7.69321 24.5066 -7.69314 10.7375 GPRESSAVG: 1302000 -57.612 40.4034 24.3008 44.5066 73.4591 -8.98192 26.3082 -7.76998 10.9181 TIMING: 1302000 CPU: 3869.96, 0.00299032/step Wall: 3869.96, 0.00299032/step, 3.07172 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: 1302000 713.7662 2084.4343 1976.2005 122.2139 -205957.8794 17688.8068 0.0000 0.0000 34202.9922 -149169.4655 298.7032 -183372.4577 -149076.0711 299.1894 -56.0480 -24.6491 557157.8590 8.8835 8.9217 PRESSURE: 1302200 -165.921 116.558 81.5436 116.558 -92.2182 102.492 81.544 102.491 -28.9609 GPRESSURE: 1302200 -145.027 56.1079 -46.4245 144.273 -83.3012 4.9642 106.655 99.4162 18.447 PRESSAVG: 1302200 -1.32556 64.883 -56.3809 64.8829 52.3768 -9.47165 -56.3809 -9.47159 -1.65751 GPRESSAVG: 1302200 -1.62461 65.5277 -56.7214 64.5271 52.259 -11.3156 -57.6047 -8.88309 -1.6107 TIMING: 1302200 CPU: 3870.56, 0.00300126/step Wall: 3870.56, 0.00300126/step, 3.08279 hours remaining, 205.484375 MB of memory in use. ENERGY: 1302200 777.6911 2050.8561 1956.9354 106.3783 -206526.7420 17797.6414 0.0000 0.0000 34580.8536 -149256.3861 302.0032 -183837.2398 -149158.5217 299.3520 -95.6999 -69.9603 557408.3233 16.4646 16.3412 PRESSURE: 1302400 34.9926 40.3704 -58.0573 40.3709 -58.9659 -110.603 -58.0581 -110.604 109.703 GPRESSURE: 1302400 33.1113 1.02359 -8.38373 55.3968 16.7379 -10.697 -24.3896 -144.515 128.118 PRESSAVG: 1302400 -34.617 1.93188 44.5117 1.93183 -15.6261 16.7636 44.5118 16.7636 5.6682 GPRESSAVG: 1302400 -34.8256 4.51809 45.0058 1.63143 -14.1289 20.8878 43.7545 16.603 4.69911 TIMING: 1302400 CPU: 3871.16, 0.00299691/step Wall: 3871.16, 0.00299691/step, 3.07816 hours remaining, 205.484375 MB of memory in use. ENERGY: 1302400 708.4763 2072.1805 1944.2598 109.6953 -206101.0408 17794.0567 0.0000 0.0000 34244.4733 -149227.8989 299.0655 -183472.3722 -149132.0815 299.0556 28.5766 59.3222 558385.1050 -14.8583 -14.7518 PRESSURE: 1302600 -213.763 196.158 -252.226 196.159 -285.128 -239.755 -252.226 -239.756 5.72481 GPRESSURE: 1302600 -203.278 98.1777 -197.72 161.248 -226.412 -201.928 -231.164 -242.248 22.0872 PRESSAVG: 1302600 16.1006 13.2386 -41.1381 13.2387 -63.484 28.4545 -41.1382 28.4545 57.903 GPRESSAVG: 1302600 15.9235 11.1389 -40.8807 15.3037 -66.176 26.0067 -40.3011 27.2637 60.1459 TIMING: 1302600 CPU: 3871.75, 0.00299012/step Wall: 3871.75, 0.00299012/step, 3.07102 hours remaining, 205.484375 MB of memory in use. ENERGY: 1302600 725.8356 2152.9137 1962.8797 123.4966 -205909.9182 17714.6120 0.0000 0.0000 34083.2482 -149146.9323 297.6575 -183230.1805 -149046.3826 298.7727 -164.3887 -135.8679 558766.6135 3.5065 3.2978 PRESSURE: 1302800 -26.3033 -64.9507 182.15 -64.9494 102.189 101.291 182.151 101.29 77.6251 GPRESSURE: 1302800 66.2917 -62.9576 145.055 -40.4815 119.923 193.829 132.056 77.3504 59.5506 PRESSAVG: 1302800 9.86775 0.953163 -42.7246 0.953172 -41.1908 20.3889 -42.7245 20.3889 -1.43766 GPRESSAVG: 1302800 10.2996 1.79301 -42.6512 -1.75174 -40.0621 20.1619 -43.6516 23.2181 -3.00108 TIMING: 1302800 CPU: 3872.35, 0.00298113/step Wall: 3872.35, 0.00298113/step, 3.06162 hours remaining, 205.484375 MB of memory in use. ENERGY: 1302800 756.9029 2046.2053 1962.3186 117.6524 -205968.0570 17848.7982 0.0000 0.0000 34157.8300 -149078.3495 298.3088 -183236.1795 -148979.0848 299.1535 51.1703 81.9218 558384.9636 -10.9202 -10.9212 PRESSURE: 1303000 93.1739 136.633 -163.741 136.632 107.654 37.5766 -163.742 37.578 47.5983 GPRESSURE: 1303000 151.947 163.969 -214.967 122.726 108.984 13.585 -130.359 59.5365 82.4454 PRESSAVG: 1303000 -12.8784 44.4352 17.0366 44.4352 -13.534 15.4481 17.0366 15.448 11.7456 GPRESSAVG: 1303000 -13.9862 42.5174 17.0658 45.6933 -12.9926 16.6914 19.3932 13.5626 11.7653 TIMING: 1303000 CPU: 3872.95, 0.00298759/step Wall: 3872.95, 0.00298759/step, 3.06809 hours remaining, 205.484375 MB of memory in use. ENERGY: 1303000 731.9127 2130.1647 1945.5984 107.7493 -206158.5819 17940.2489 0.0000 0.0000 34365.8472 -148937.0607 300.1255 -183302.9079 -148844.7031 300.5177 82.8088 114.4589 558141.9734 -4.8889 -5.0711 PRESSURE: 1303200 89.593 -70.4735 174.348 -70.4736 -11.1974 -37.3268 174.348 -37.3249 -8.52418 GPRESSURE: 1303200 114.12 41.5213 164.291 -130.925 12.6651 -67.424 171.987 -72.527 51.9293 PRESSAVG: 1303200 -11.5737 30.1565 10.7017 30.1565 0.837195 -1.379 10.7016 -1.37909 8.11792 GPRESSAVG: 1303200 -10.3407 29.5203 8.30768 32.2536 -0.123043 -1.31295 10.2373 -0.941475 7.65901 TIMING: 1303200 CPU: 3873.54, 0.00298656/step Wall: 3873.54, 0.00298656/step, 3.06687 hours remaining, 205.484375 MB of memory in use. ENERGY: 1303200 754.4245 2085.6871 1966.9402 115.6484 -206177.1560 17863.9345 0.0000 0.0000 34385.8593 -149004.6620 300.3003 -183390.5213 -148910.4602 300.6134 23.2905 59.5714 556047.5617 -0.8729 -0.9349 PRESSURE: 1303400 -12.4003 109.44 121.832 109.439 -60.856 -32.7425 121.833 -32.7446 147.948 GPRESSURE: 1303400 32.7201 155.195 126.169 75.8715 -48.6013 42.0514 96.6193 -94.9114 197.336 PRESSAVG: 1303400 5.33297 14.8703 38.535 14.8703 -4.66592 -31.0773 38.535 -31.0774 32.4163 GPRESSAVG: 1303400 3.24098 15.7744 40.0665 13.8428 -4.83456 -31.8451 36.3713 -30.7008 34.1326 TIMING: 1303400 CPU: 3874.14, 0.00299576/step Wall: 3874.14, 0.00299576/step, 3.07615 hours remaining, 205.484375 MB of memory in use. ENERGY: 1303400 728.9238 2096.1366 1962.1927 126.2957 -206180.4282 17759.9857 0.0000 0.0000 34269.4946 -149237.3992 299.2840 -183506.8938 -149139.3592 299.6503 24.8971 60.4849 557224.8101 11.0278 10.8464 PRESSURE: 1303600 -65.3899 -35.5952 -14.1498 -35.5957 98.0871 102.196 -14.1502 102.197 0.245421 GPRESSURE: 1303600 -8.67601 -16.7226 -61.5229 -98.7475 90.3413 46.6794 -21.1279 59.4727 47.6522 PRESSAVG: 1303600 -20.8105 43.5956 61.2204 43.5956 -32.123 -46.8621 61.2205 -46.8621 51.3058 GPRESSAVG: 1303600 -20.2147 43.9182 60.0645 44.5424 -32.0261 -48.7763 63.4201 -46.9061 50.4709 TIMING: 1303600 CPU: 3874.75, 0.00301774/step Wall: 3874.75, 0.00301774/step, 3.09855 hours remaining, 205.484375 MB of memory in use. ENERGY: 1303600 739.7342 2100.2319 1940.7282 107.7480 -206105.1339 17853.0439 0.0000 0.0000 34356.9187 -149006.7290 300.0475 -183363.6477 -148909.8748 299.8671 10.9809 43.1058 559774.9630 -0.5426 -0.5900 PRESSURE: 1303800 -2.01452 28.6748 -73.9181 28.6758 108.428 39.4974 -73.9177 39.4972 161.842 GPRESSURE: 1303800 59.383 -19.7597 -90.0123 50.3903 152.675 -19.2343 -83.5976 -22.0546 147.615 PRESSAVG: 1303800 -12.7485 46.5158 -64.8114 46.5158 8.13708 7.31099 -64.8114 7.31101 -9.07543 GPRESSAVG: 1303800 -12.5548 46.246 -63.2599 43.905 8.30185 8.72177 -65.1001 6.20699 -9.14794 TIMING: 1303800 CPU: 3875.35, 0.00302258/step Wall: 3875.35, 0.00302258/step, 3.10335 hours remaining, 205.484375 MB of memory in use. ENERGY: 1303800 702.0798 2123.0422 1976.8491 98.2536 -206161.2687 17858.5102 0.0000 0.0000 34306.5136 -149096.0201 299.6073 -183402.5337 -148996.3475 299.7404 89.4185 119.8910 559175.3562 -4.5623 -4.4670 PRESSURE: 1304000 -33.5995 -13.9631 -26.2313 -13.9626 10.8648 64.8018 -26.2309 64.8015 -162.219 GPRESSURE: 1304000 28.7855 -18.1152 8.20319 -92.7288 24.7502 46.0689 -36.4798 12.3372 -145.884 PRESSAVG: 1304000 15.0659 22.0834 -36.3843 22.0833 16.0474 -0.0858278 -36.3842 -0.0857966 2.82318 GPRESSAVG: 1304000 15.0539 22.2391 -37.896 21.5175 15.9638 -1.49245 -36.1403 3.43415 2.79589 TIMING: 1304000 CPU: 3875.95, 0.00300301/step Wall: 3875.95, 0.00300301/step, 3.08309 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: 1304000 733.2085 2126.3002 1928.2497 119.1199 -205879.6515 17689.9908 0.0000 0.0000 34249.4720 -149033.3104 299.1092 -183282.7824 -148935.1686 298.9735 -61.6513 -30.7829 559811.6893 11.3122 11.2712 PRESSURE: 1304200 -195.143 -77.1961 -18.9711 -77.1969 -134.589 -112.641 -18.9709 -112.64 -53.8009 GPRESSURE: 1304200 -173.831 -11.8816 -19.9353 -67.0208 -84.9152 -89.9181 4.7096 -103.503 -30.4087 PRESSAVG: 1304200 -10.3694 19.2112 33.8322 19.211 -13.1969 -14.4653 33.8324 -14.4653 -0.842908 GPRESSAVG: 1304200 -11.2091 19.6666 35.7763 19.5301 -13.2544 -14.2047 32.6342 -16.019 -0.355209 TIMING: 1304200 CPU: 3876.55, 0.00300246/step Wall: 3876.55, 0.00300246/step, 3.08236 hours remaining, 205.484375 MB of memory in use. ENERGY: 1304200 767.2983 2046.5236 1954.0182 114.1860 -205631.5336 17481.5041 0.0000 0.0000 34220.2381 -149047.7653 298.8539 -183268.0034 -148950.3844 299.6799 -127.8443 -96.3850 558186.6857 -8.1364 -8.2729 LDB: ============= START OF LOAD BALANCING ============== 3879.98 LDB: ============== END OF LOAD BALANCING =============== 3879.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3879.98 LDB: ============= START OF LOAD BALANCING ============== 3880.28 LDB: Largest compute 4821 load 0.031325 is 26.5% of average load 0.118044 LDB: Average compute 0.001717 is 1.5% of average load 0.118044 LDB: TIME 3880.29 LOAD: AVG 0.118044 MAX 0.197041 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 3880.29 LOAD: AVG 0.118044 MAX 0.197041 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.91 MB LDB: TIME 3880.29 LOAD: AVG 0.118044 MAX 0.197041 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3880.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3880.29 PRESSURE: 1304400 18.719 21.4464 40.9255 21.4477 -120.532 4.28569 40.9252 4.28579 -80.7598 GPRESSURE: 1304400 89.3629 17.462 71.4365 12.6179 -97.2927 74.6001 101.996 85.5359 -66.3731 PRESSAVG: 1304400 0.142015 -10.0993 2.39945 -10.0994 5.53276 10.349 2.39943 10.349 33.8897 GPRESSAVG: 1304400 0.51208 -11.1345 2.55417 -7.74144 4.37744 10.8303 0.209345 11.0787 34.7941 TIMING: 1304400 CPU: 3877.16, 0.00305653/step Wall: 3877.16, 0.00305653/step, 3.1377 hours remaining, 205.937500 MB of memory in use. ENERGY: 1304400 750.4267 2087.6711 1932.8172 111.4038 -205853.3274 17754.4067 0.0000 0.0000 34298.6904 -148917.9116 299.5390 -183216.6020 -148816.2677 300.2946 -60.8578 -24.7676 558715.9203 13.1881 13.2279 PRESSURE: 1304600 207.406 -45.8843 161.506 -45.8844 55.4056 -70.9146 161.505 -70.9157 -147.752 GPRESSURE: 1304600 198.06 -3.95561 181.222 -42.0282 122.964 73.0082 215.484 -193.8 -99.9393 PRESSAVG: 1304600 -12.8667 21.3464 -39.6462 21.3464 41.8121 21.6611 -39.6462 21.661 -57.6885 GPRESSAVG: 1304600 -12.9207 21.4335 -38.7726 20.7994 41.8243 21.7795 -38.1566 23.2756 -58.1216 TIMING: 1304600 CPU: 3877.76, 0.00298822/step Wall: 3877.76, 0.00298822/step, 3.06741 hours remaining, 205.937500 MB of memory in use. ENERGY: 1304600 757.4929 2107.8117 1931.6484 115.0979 -206081.2951 17837.1401 0.0000 0.0000 34242.0672 -149090.0370 299.0445 -183332.1042 -149000.4308 299.9103 38.3530 73.6948 557237.6610 -9.5811 -9.7393 PRESSURE: 1304800 -325.982 29.4344 -3.26105 29.4347 -144.494 -9.70096 -3.26019 -9.70221 -85.4679 GPRESSURE: 1304800 -260.002 -7.80416 68.2258 59.8033 -121.097 7.06626 -26.1218 -36.8648 -76.3284 PRESSAVG: 1304800 7.80922 -13.683 24.2397 -13.6829 41.0671 8.3846 24.2396 8.38467 -65.2721 GPRESSAVG: 1304800 7.88828 -12.5347 23.8937 -15.6955 40.8108 6.68 23.9353 5.51633 -64.7741 TIMING: 1304800 CPU: 3878.36, 0.00300471/step Wall: 3878.36, 0.00300471/step, 3.08417 hours remaining, 205.937500 MB of memory in use. ENERGY: 1304800 755.5987 2153.5389 1918.9129 105.0942 -205666.8041 17480.8693 0.0000 0.0000 34367.7083 -148885.0819 300.1417 -183252.7902 -148786.9561 300.7093 -185.3148 -152.4759 558166.7567 -5.4653 -5.3583 PRESSURE: 1305000 -18.3437 -33.3384 57.3345 -33.3381 202.777 11.2851 57.334 11.2855 -120.123 GPRESSURE: 1305000 35.1716 -55.2091 -4.0238 -92.9447 169.265 47.4988 117.538 38.1207 -30.6277 PRESSAVG: 1305000 28.9421 19.7959 19.2191 19.7959 69.3071 3.49392 19.2191 3.49417 -43.663 GPRESSAVG: 1305000 29.3035 16.8188 17.7806 20.7798 70.3701 4.86073 20.2076 4.85987 -45.2185 TIMING: 1305000 CPU: 3878.96, 0.00300766/step Wall: 3878.96, 0.00300766/step, 3.08703 hours remaining, 205.937500 MB of memory in use. ENERGY: 1305000 779.9585 2164.2875 1949.0026 109.9567 -205935.6464 17780.9180 0.0000 0.0000 34392.2194 -148759.3037 300.3558 -183151.5231 -148668.0168 300.1709 21.4367 57.9362 557760.6209 18.1954 18.1517 PRESSURE: 1305200 65.1432 -25.1868 148.761 -25.1874 -8.15122 54.0394 148.762 54.0411 0.959771 GPRESSURE: 1305200 63.4972 -50.5079 149.626 -6.92062 8.5276 163.482 160.688 51.8108 77.6796 PRESSAVG: 1305200 -16.684 -23.9642 3.52053 -23.9641 14.3647 24.5313 3.52054 24.5313 -0.814177 GPRESSAVG: 1305200 -17.6178 -24.3994 4.71583 -22.9742 13.6907 25.943 1.65437 24.7076 0.962053 TIMING: 1305200 CPU: 3879.57, 0.00303194/step Wall: 3879.57, 0.00303194/step, 3.11178 hours remaining, 205.937500 MB of memory in use. ENERGY: 1305200 786.6113 2083.7495 1969.5367 112.0385 -205948.8797 17725.8149 0.0000 0.0000 34281.2352 -148989.8937 299.3866 -183271.1289 -148882.7325 300.4304 19.3172 49.9015 556642.3485 -1.0445 -0.9884 PRESSURE: 1305400 -50.282 167.889 92.5764 167.89 29.7106 -247.292 92.5768 -247.294 174.09 GPRESSURE: 1305400 -16.8986 222.896 167.144 92.8443 66.0751 -241.934 87.7516 -199.378 195.701 PRESSAVG: 1305400 -39.7524 -10.4618 -32.9185 -10.4618 9.9205 9.54378 -32.9185 9.54379 11.7898 GPRESSAVG: 1305400 -37.6609 -7.73441 -33.6857 -12.9867 9.83922 8.5339 -31.7715 9.17053 9.53453 TIMING: 1305400 CPU: 3880.17, 0.00300133/step Wall: 3880.17, 0.00300133/step, 3.0802 hours remaining, 205.937500 MB of memory in use. ENERGY: 1305400 724.8078 2109.4472 1982.0105 109.6908 -205796.8508 17684.1442 0.0000 0.0000 34209.9974 -148976.7529 298.7644 -183186.7503 -148881.9555 299.5560 51.1728 81.6259 557213.3996 -6.0140 -6.0957 PRESSURE: 1305600 -104.49 52.1372 84.8876 52.1366 -255.482 0.299436 84.8861 0.298519 387.467 GPRESSURE: 1305600 -90.8798 105.543 66.1859 -54.9961 -166.994 1.42738 69.7148 62.529 379.713 PRESSAVG: 1305600 5.58223 19.7878 16.7174 19.7878 -50.8806 -11.869 16.7176 -11.8689 69.5861 GPRESSAVG: 1305600 4.20945 18.9203 15.8342 20.8564 -50.1445 -12.0421 17.1969 -12.3169 70.4822 TIMING: 1305600 CPU: 3880.77, 0.00301195/step Wall: 3880.77, 0.00301195/step, 3.09093 hours remaining, 205.937500 MB of memory in use. ENERGY: 1305600 723.4415 2033.4410 1968.8836 106.5356 -206015.0148 17782.6722 0.0000 0.0000 34300.5664 -149099.4745 299.5554 -183400.0409 -149002.2144 299.6296 9.1650 40.6130 557119.6209 8.0959 8.1824 PRESSURE: 1305800 -61.8742 20.7883 -138.519 20.7887 -22.1533 -77.8639 -138.521 -77.8625 -170.065 GPRESSURE: 1305800 -17.0175 -13.0637 -184.226 54.7567 -33.8264 -173.223 -129.121 -76.5334 -94.381 PRESSAVG: 1305800 -46.9052 22.1464 21.0645 22.1463 -16.5853 -0.384266 21.0646 -0.384282 59.7089 GPRESSAVG: 1305800 -47.0484 23.0861 21.9592 21.5378 -16.5505 -0.0474657 19.1262 -0.803154 60.5289 TIMING: 1305800 CPU: 3881.37, 0.00300745/step Wall: 3881.37, 0.00300745/step, 3.08615 hours remaining, 205.937500 MB of memory in use. ENERGY: 1305800 741.4087 2042.3624 1973.6280 116.4986 -206065.8974 17681.9261 0.0000 0.0000 34354.3067 -149155.7668 300.0247 -183510.0735 -149061.7708 299.4262 -84.6976 -48.4083 558201.6769 -1.2605 -1.0233 PRESSURE: 1306000 223.84 42.1911 45.7354 42.1916 -33.6373 -4.55099 45.735 -4.55179 123.355 GPRESSURE: 1306000 222.324 243.923 28.5758 -47.0769 -16.2513 19.0049 63.0595 32.7789 221.903 PRESSAVG: 1306000 9.4215 3.02046 28.9749 3.02042 -0.543246 3.31745 28.9749 3.31748 -16.4778 GPRESSAVG: 1306000 8.37126 3.53561 27.8939 3.74974 0.739844 1.35065 31.0662 4.33616 -16.4391 TIMING: 1306000 CPU: 3881.98, 0.0030324/step Wall: 3881.98, 0.0030324/step, 3.11158 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: 1306000 729.6929 2107.5205 1972.4142 128.8337 -206316.7071 18041.0482 0.0000 0.0000 34038.1814 -149299.0161 297.2639 -183337.1975 -149207.1050 298.7761 104.5191 142.6586 558941.1278 -2.5332 -2.4427 PRESSURE: 1306200 -262.614 -0.550197 -87.0355 -0.54991 -139.188 84.4564 -87.0345 84.4566 -248.113 GPRESSURE: 1306200 -174.904 85.9049 -75.7869 6.01112 -101.14 109.864 -191.541 88.348 -275.229 PRESSAVG: 1306200 48.4404 -9.33746 31.7341 -9.33757 7.80761 27.0606 31.7341 27.0606 -31.4167 GPRESSAVG: 1306200 49.5592 -8.91386 30.3527 -8.30634 7.69373 28.0515 31.5911 25.7602 -32.7435 TIMING: 1306200 CPU: 3882.58, 0.00301091/step Wall: 3882.58, 0.00301091/step, 3.08936 hours remaining, 205.937500 MB of memory in use. ENERGY: 1306200 800.2617 1951.2099 1952.1308 112.6419 -205639.3398 17592.8114 0.0000 0.0000 34085.0844 -149145.1996 297.6735 -183230.2840 -149055.9302 299.0670 -216.6380 -183.7576 559420.5879 8.2771 8.1698 PRESSURE: 1306400 -120.345 -15.4817 90.3878 -15.4808 -103.991 -12.8705 90.3877 -12.87 -254.231 GPRESSURE: 1306400 -81.4105 -84.7694 61.8168 59.8298 -71.3423 10.3597 127.194 61.4439 -224.79 PRESSAVG: 1306400 4.85436 21.1477 18.1856 21.1477 5.48739 -7.03491 18.1855 -7.03475 -41.4368 GPRESSAVG: 1306400 6.05984 19.4403 17.9966 20.2778 5.30873 -8.30895 19.1953 -5.56295 -42.1113 TIMING: 1306400 CPU: 3883.18, 0.00300671/step Wall: 3883.18, 0.00300671/step, 3.08488 hours remaining, 205.937500 MB of memory in use. ENERGY: 1306400 754.8606 2090.3312 1955.2517 109.5399 -206366.4969 17872.5825 0.0000 0.0000 34375.9139 -149208.0170 300.2134 -183583.9310 -149114.3717 299.2709 -159.5225 -125.8476 558366.8699 -10.3650 -10.2476 PRESSURE: 1306600 -99.8963 -62.5739 152.616 -62.5744 -167.661 -37.2508 152.615 -37.2485 -236.17 GPRESSURE: 1306600 -62.2557 -43.4719 108.262 -106.207 -135.763 -31.4348 297.191 1.31388 -207.825 PRESSAVG: 1306600 79.2911 1.42194 3.57022 1.42203 -30.4698 10.2844 3.57025 10.2844 -27.6925 GPRESSAVG: 1306600 78.4441 1.93258 4.46797 0.337903 -30.5155 12.6102 3.31203 8.53515 -27.1376 TIMING: 1306600 CPU: 3883.78, 0.00297739/step Wall: 3883.78, 0.00297739/step, 3.05463 hours remaining, 205.937500 MB of memory in use. ENERGY: 1306600 724.9188 2091.6374 1978.4782 107.4960 -205857.6860 17604.9208 0.0000 0.0000 34163.8157 -149186.4192 298.3611 -183350.2349 -149089.4198 299.2752 -167.9089 -135.2814 559227.9125 7.0430 6.9303 PRESSURE: 1306800 -54.5122 -130.687 -12.1931 -130.687 -42.5573 -49.4256 -12.1935 -49.4263 -98.5033 GPRESSURE: 1306800 -9.35218 -175.411 11.4425 -96.765 -18.2379 -23.1523 39.7203 -77.3908 -72.8389 PRESSAVG: 1306800 69.9335 -18.4265 30.4108 -18.4266 -28.8969 15.2911 30.4108 15.2909 30.4234 GPRESSAVG: 1306800 69.9365 -19.6288 32.7697 -19.8311 -28.8782 14.109 26.4875 16.3883 30.5313 TIMING: 1306800 CPU: 3884.38, 0.00301414/step Wall: 3884.38, 0.00301414/step, 3.09217 hours remaining, 205.937500 MB of memory in use. ENERGY: 1306800 750.8103 2066.6206 1949.8908 124.7321 -206244.5065 17938.3145 0.0000 0.0000 34266.7371 -149147.4010 299.2599 -183414.1382 -149054.0418 298.8945 -65.1909 -33.4763 557843.4281 23.8200 23.8632 PRESSURE: 1307000 -346.723 -140.204 -96.259 -140.204 22.3617 154.413 -96.2598 154.414 -124.094 GPRESSURE: 1307000 -251.689 -116.432 -114.253 -191.874 51.0339 111.721 -54.538 150.967 -165.978 PRESSAVG: 1307000 37.3266 -54.5597 -22.4784 -54.5597 16.945 -8.78343 -22.4785 -8.7833 -26.0808 GPRESSAVG: 1307000 37.1885 -52.6835 -22.9985 -52.8893 16.5185 -10.5081 -22.7473 -10.0476 -25.7835 TIMING: 1307000 CPU: 3884.99, 0.00301052/step Wall: 3884.99, 0.00301052/step, 3.08829 hours remaining, 205.937500 MB of memory in use. ENERGY: 1307000 718.7010 2087.0789 1953.7126 120.4312 -206049.1741 17835.3274 0.0000 0.0000 34183.4205 -149150.5026 298.5323 -183333.9230 -149057.0992 299.1133 -149.4850 -122.2111 559806.6911 9.3970 9.3078 PRESSURE: 1307200 -221.552 22.5554 22.7986 22.5556 174.874 27.8647 22.7991 27.865 -322.192 GPRESSURE: 1307200 -193.417 27.3288 80.5179 67.7435 162.651 61.9152 30.6086 12.3751 -237.571 PRESSAVG: 1307200 -12.2794 0.622275 -49.3476 0.622222 63.2552 -4.78951 -49.3476 -4.78952 -52.2199 GPRESSAVG: 1307200 -11.7855 1.50579 -49.6962 -1.6175 62.9254 -1.98536 -46.9591 -4.09554 -52.0022 TIMING: 1307200 CPU: 3885.58, 0.00297626/step Wall: 3885.58, 0.00297626/step, 3.05298 hours remaining, 205.937500 MB of memory in use. ENERGY: 1307200 809.1780 2108.7061 1933.9407 125.4125 -206167.2709 17823.1548 0.0000 0.0000 34261.8123 -149105.0665 299.2169 -183366.8788 -149004.7983 299.7727 -122.9569 -89.4458 558568.2058 -0.4147 -0.2874 PRESSURE: 1307400 -47.6259 37.0986 -51.9995 37.0989 -21.5113 30.0792 -52.0001 30.0789 118.003 GPRESSURE: 1307400 0.350799 1.10961 -55.4502 64.9102 -12.0533 36.9137 31.0401 -27.1073 161.718 PRESSAVG: 1307400 -41.5153 87.5805 4.2076 87.5805 4.85265 -69.9657 4.20761 -69.9657 -15.8957 GPRESSAVG: 1307400 -41.8835 88.6602 5.47084 87.8932 5.46737 -70.2106 1.73001 -69.2293 -16.2205 TIMING: 1307400 CPU: 3886.18, 0.00298874/step Wall: 3886.18, 0.00298874/step, 3.06561 hours remaining, 205.937500 MB of memory in use. ENERGY: 1307400 729.9100 2063.0113 1964.1034 112.4285 -206093.4934 17959.0670 0.0000 0.0000 34336.9747 -148927.9984 299.8733 -183264.9731 -148820.9848 300.0327 16.2884 50.0053 558201.7765 -17.5194 -17.5455 PRESSURE: 1307600 -78.5472 119.232 -102.914 119.232 -4.41977 -91.6367 -102.912 -91.6357 72.1539 GPRESSURE: 1307600 -48.2505 13.9437 -100.824 123.077 12.2989 -32.1498 -173.64 -113.937 129.189 PRESSAVG: 1307600 -7.37451 -60.1086 -39.8162 -60.1087 57.2726 -9.65947 -39.8162 -9.6595 12.2244 GPRESSAVG: 1307600 -8.84149 -61.5461 -41.9545 -57.4499 57.4527 -10.5301 -37.9467 -10.1845 13.0663 TIMING: 1307600 CPU: 3886.78, 0.00302345/step Wall: 3886.78, 0.00302345/step, 3.10105 hours remaining, 205.937500 MB of memory in use. ENERGY: 1307600 760.2319 2136.0059 1978.2577 107.2139 -205875.2526 17623.9126 0.0000 0.0000 34617.5969 -148652.0338 302.3241 -183269.6307 -148565.2182 301.3079 -3.6044 31.0791 557751.1028 20.7075 20.5592 PRESSURE: 1307800 104.598 -56.3476 76.8501 -56.3463 -88.5621 33.49 76.8484 33.4909 75.3921 GPRESSURE: 1307800 170.366 45.534 173.38 -124.239 -6.61347 70.3784 13.418 0.384193 28.1065 PRESSAVG: 1307800 -10.0186 8.47714 -28.1369 8.47717 49.7291 12.1444 -28.1369 12.1444 -63.3018 GPRESSAVG: 1307800 -9.3902 9.09679 -25.5792 6.7446 49.9215 12.4306 -26.6694 11.6866 -64.4731 TIMING: 1307800 CPU: 3887.38, 0.00299694/step Wall: 3887.38, 0.00299694/step, 3.07369 hours remaining, 205.937500 MB of memory in use. ENERGY: 1307800 768.7651 2046.6072 1961.6708 112.8919 -206180.0677 18139.0551 0.0000 0.0000 34343.8339 -148807.2437 299.9332 -183151.0777 -148708.7751 300.9621 30.4761 63.9529 558468.7364 -7.8638 -7.9806 PRESSURE: 1308000 -139.312 -141.134 -89.3992 -141.134 -141.871 27.2476 -89.3988 27.2495 4.42555 GPRESSURE: 1308000 -125.265 -169.378 -139.017 -49.5515 -35.2844 -6.84327 -117.605 27.6861 -14.7142 PRESSAVG: 1308000 -94.3954 -10.2094 34.378 -10.2094 42.7668 -36.4769 34.3781 -36.4768 56.5333 GPRESSAVG: 1308000 -94.5904 -9.56055 34.3298 -9.71168 43.5858 -35.6388 33.7502 -35.4507 55.8502 TIMING: 1308000 CPU: 3887.98, 0.00301064/step Wall: 3887.98, 0.00301064/step, 3.08758 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: 1308000 724.7723 2133.0864 1931.5412 112.7769 -205589.1721 17476.7955 0.0000 0.0000 34367.7661 -148842.4337 300.1422 -183210.1999 -148754.1801 299.8578 -92.2524 -58.4211 556705.6474 1.6349 1.6152 PRESSURE: 1308200 -80.2113 -62.7211 -23.3596 -62.7212 -55.1738 -34.5652 -23.3591 -34.5637 150.173 GPRESSURE: 1308200 4.12742 -63.1735 -118.95 -71.3336 -5.06738 -61.4411 -17.223 -27.8504 118.03 PRESSAVG: 1308200 51.7671 -36.3959 10.8134 -36.3959 -56.9264 -25.5473 10.8133 -25.5473 -3.65498 GPRESSAVG: 1308200 52.1043 -36.1355 9.85755 -36.111 -58.4421 -26.2997 8.47697 -26.8443 -2.1139 TIMING: 1308200 CPU: 3888.58, 0.00298891/step Wall: 3888.58, 0.00298891/step, 3.06512 hours remaining, 205.937500 MB of memory in use. ENERGY: 1308200 718.4215 2076.9808 1949.7759 115.6461 -205759.4129 17658.8799 0.0000 0.0000 34365.0103 -148874.6985 300.1182 -183239.7088 -148777.5446 299.6904 4.9294 39.0300 559372.5263 -2.9381 -2.8172 LDB: ============= START OF LOAD BALANCING ============== 3892.01 LDB: ============== END OF LOAD BALANCING =============== 3892.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3892.01 LDB: ============= START OF LOAD BALANCING ============== 3892.31 LDB: Largest compute 4821 load 0.031489 is 26.7% of average load 0.118002 LDB: Average compute 0.001715 is 1.5% of average load 0.118002 LDB: TIME 3892.31 LOAD: AVG 0.118002 MAX 0.196166 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 3892.31 LOAD: AVG 0.118002 MAX 0.196166 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: TIME 3892.31 LOAD: AVG 0.118002 MAX 0.196166 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: ============== END OF LOAD BALANCING =============== 3892.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3892.32 PRESSURE: 1308400 -54.1911 -39.9728 -38.1706 -39.9752 -105.008 -75.3682 -38.1706 -75.3684 -195.903 GPRESSURE: 1308400 -29.5015 -24.4184 6.87127 39.4906 -52.5325 -159.63 -107.329 -30.5381 -179.054 PRESSAVG: 1308400 27.7906 -20.1158 -4.75758 -20.1157 -16.4132 -14.5924 -4.75753 -14.5923 -27.9615 GPRESSAVG: 1308400 28.5331 -21.5987 -5.85492 -18.2479 -17.0875 -13.155 -3.33662 -15.0238 -28.0806 TIMING: 1308400 CPU: 3889.19, 0.00304135/step Wall: 3889.19, 0.00304135/step, 3.11874 hours remaining, 206.640625 MB of memory in use. ENERGY: 1308400 751.0015 2104.3377 1953.9372 110.8194 -205702.3603 17654.8421 0.0000 0.0000 34317.7423 -148809.6801 299.7054 -183127.4224 -148714.5478 300.1729 -118.3676 -87.0292 559009.2564 -5.5280 -5.5450 PRESSURE: 1308600 -22.7516 -176.797 -92.9368 -176.797 -52.2434 -111.507 -92.9366 -111.506 -9.63172 GPRESSURE: 1308600 0.836987 -120.676 -44.7353 -226.7 -28.9465 -140.548 -61.7548 -97.4153 31.6641 PRESSAVG: 1308600 -19.0967 5.18092 -44.1169 5.18103 27.7856 -13.4573 -44.117 -13.4573 -12.1854 GPRESSAVG: 1308600 -19.551 5.37317 -43.0827 3.11397 29.1989 -14.3204 -43.2946 -11.3033 -13.4194 TIMING: 1308600 CPU: 3889.79, 0.00297826/step Wall: 3889.79, 0.00297826/step, 3.05388 hours remaining, 206.839844 MB of memory in use. ENERGY: 1308600 751.0716 2075.3241 1936.6499 98.7234 -205700.1353 17732.7939 0.0000 0.0000 34234.2154 -148871.3570 298.9759 -183105.5724 -148768.7126 300.0090 -28.2089 1.1849 558578.8611 -1.1655 -1.2572 PRESSURE: 1308800 65.4222 -165.741 63.7961 -165.741 363.081 -116.297 63.7954 -116.298 82.6781 GPRESSURE: 1308800 94.2426 -96.3088 62.8127 -153.855 316.542 -80.2943 64.7738 -55.1316 182.593 PRESSAVG: 1308800 17.3343 -8.66392 32.2547 -8.66387 -15.4813 2.2347 32.2548 2.23468 6.03792 GPRESSAVG: 1308800 16.5817 -9.35867 31.1938 -7.92993 -16.5079 2.31384 31.2347 1.19116 8.05716 TIMING: 1308800 CPU: 3890.38, 0.00298794/step Wall: 3890.38, 0.00298794/step, 3.06364 hours remaining, 206.839844 MB of memory in use. ENERGY: 1308800 747.2241 2060.8023 1981.8372 116.9899 -206515.5011 18175.9576 0.0000 0.0000 34350.8816 -149081.8082 299.9948 -183432.6899 -148986.8817 299.8681 170.3936 197.7926 556919.6998 2.6303 2.7103 PRESSURE: 1309000 32.4059 35.2846 -58.9024 35.2833 -59.4084 220.574 -58.9016 220.574 39.3496 GPRESSURE: 1309000 18.7541 104.527 -122.211 -2.52279 10.8848 239.072 -61.7674 190.353 90.2411 PRESSAVG: 1309000 -70.8016 42.2622 19.1594 42.2622 84.1153 -15.7131 19.1594 -15.713 -31.2232 GPRESSAVG: 1309000 -69.5721 43.1566 19.1349 42.2962 84.104 -14.7404 18.0157 -15.1875 -31.77 TIMING: 1309000 CPU: 3890.98, 0.00299147/step Wall: 3890.98, 0.00299147/step, 3.06709 hours remaining, 206.839844 MB of memory in use. ENERGY: 1309000 729.6929 2103.6560 1920.3305 121.2761 -206081.6569 17817.2782 0.0000 0.0000 34345.1001 -149044.3232 299.9443 -183389.4233 -148941.5283 299.3171 4.1157 39.9600 557939.9397 -5.9698 -5.7460 PRESSURE: 1309200 -195.463 -25.3692 16.8149 -25.3678 74.7795 184.173 16.8146 184.175 -298.183 GPRESSURE: 1309200 -147.107 39.2447 -34.7087 8.723 121.581 53.0513 63.0224 155.4 -280.111 PRESSAVG: 1309200 -11.1494 2.61925 -58.8209 2.61926 -4.24232 28.7327 -58.8209 28.7327 -5.92644 GPRESSAVG: 1309200 -11.5255 2.10482 -58.4073 2.10786 -4.20218 28.3825 -58.9251 28.6644 -5.75833 TIMING: 1309200 CPU: 3891.58, 0.00300362/step Wall: 3891.58, 0.00300362/step, 3.07938 hours remaining, 206.839844 MB of memory in use. ENERGY: 1309200 764.3617 2133.0542 1948.5688 96.9324 -206256.9668 17795.5358 0.0000 0.0000 34386.5111 -149132.0027 300.3060 -183518.5139 -149033.5842 299.2281 -139.6219 -101.8793 558472.7827 -7.1061 -7.1620 PRESSURE: 1309400 81.5018 -38.3432 -117.572 -38.3438 -196.379 -51.1367 -117.572 -51.1353 -11.3008 GPRESSURE: 1309400 140.987 -2.90282 -150.567 -97.2195 -202.494 -132.126 -57.5518 -19.9349 41.171 PRESSAVG: 1309400 33.2947 -29.3099 -11.5744 -29.3098 -10.1018 2.1023 -11.5744 2.1022 7.53326 GPRESSAVG: 1309400 34.4972 -29.7273 -9.46974 -29.732 -9.93403 0.724045 -10.8028 3.12708 6.29931 TIMING: 1309400 CPU: 3892.19, 0.00301344/step Wall: 3892.19, 0.00301344/step, 3.08928 hours remaining, 206.839844 MB of memory in use. ENERGY: 1309400 731.1870 2079.0516 1957.0622 111.7954 -206212.4848 18025.5973 0.0000 0.0000 34258.8710 -149048.9203 299.1912 -183307.7913 -148945.3296 299.6257 -42.0593 -6.7786 560397.0796 10.2421 10.2875 PRESSURE: 1309600 -218.031 -99.5138 -27.5954 -99.5149 224.965 -83.7258 -27.5961 -83.7258 -268.17 GPRESSURE: 1309600 -222.722 -82.5995 -7.53182 -58.3381 253.895 31.1666 -15.4761 -128.299 -198.496 PRESSAVG: 1309600 -14.1455 8.44745 -61.3919 8.44746 34.9057 -9.03953 -61.3918 -9.03954 -41.4169 GPRESSAVG: 1309600 -14.8361 8.60322 -64.3418 10.6846 35.5548 -8.56345 -59.0629 -10.3735 -41.7298 TIMING: 1309600 CPU: 3892.79, 0.00299849/step Wall: 3892.79, 0.00299849/step, 3.07379 hours remaining, 206.839844 MB of memory in use. ENERGY: 1309600 751.3078 2077.9196 1961.4309 105.7579 -205812.5613 17612.3151 0.0000 0.0000 34220.9079 -149082.9221 298.8597 -183303.8299 -148991.5518 298.6105 -87.0786 -55.7744 558804.4960 -6.8856 -7.0037 PRESSURE: 1309800 5.02078 53.1613 98.6113 53.1626 341.839 -32.4481 98.6105 -32.4492 66.9493 GPRESSURE: 1309800 96.7351 21.5328 99.4606 -10.1119 364.851 -88.1158 144.881 -18.7753 48.1051 PRESSAVG: 1309800 8.62598 21.3709 14.5248 21.3709 83.5523 46.1851 14.5248 46.1851 -74.8703 GPRESSAVG: 1309800 8.14703 20.754 17.5679 21.7341 84.2327 46.7715 12.1306 45.6704 -75.2226 TIMING: 1309800 CPU: 3893.39, 0.00301217/step Wall: 3893.39, 0.00301217/step, 3.08764 hours remaining, 206.839844 MB of memory in use. ENERGY: 1309800 754.9967 2097.0222 1939.2204 110.0205 -205936.7132 17885.4269 0.0000 0.0000 34176.1113 -148973.9151 298.4685 -183150.0264 -148882.9441 299.5214 137.9362 169.8971 558075.3925 5.7693 5.7190 PRESSURE: 1310000 -62.802 -108.386 64.4976 -108.386 -30.5027 100.413 64.498 100.414 -1.08214 GPRESSURE: 1310000 -31.3016 -150.935 34.873 -93.0278 55.6018 144.791 78.0809 153.29 -13.9107 PRESSAVG: 1310000 70.2364 21.9797 -20.3701 21.9797 33.1216 51.6951 -20.3701 51.6952 -64.3267 GPRESSAVG: 1310000 71.4268 22.153 -21.1754 20.8985 31.781 51.4225 -21.0073 53.9458 -64.1465 TIMING: 1310000 CPU: 3893.99, 0.00300794/step Wall: 3893.99, 0.00300794/step, 3.08313 hours remaining, 206.839844 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: 1310000 722.1827 2070.4371 1964.7729 110.3627 -205909.7692 17828.2916 0.0000 0.0000 34169.9355 -149043.7867 298.4145 -183213.7221 -148949.2417 299.4478 -31.4623 3.4632 557411.1211 13.0104 13.0204 PRESSURE: 1310200 -266.132 183.601 -14.0026 183.601 -24.4466 71.9094 -14.0017 71.91 -312.422 GPRESSURE: 1310200 -271.597 198.484 -182.457 130.23 10.4345 105.619 17.0322 131.704 -241.464 PRESSAVG: 1310200 19.7117 4.00121 -11.6942 4.00122 16.745 46.7842 -11.6941 46.7841 -45.8556 GPRESSAVG: 1310200 19.2111 3.99819 -11.4472 1.93351 17.9704 48.2657 -11.7145 46.3044 -46.543 TIMING: 1310200 CPU: 3894.59, 0.00299638/step Wall: 3894.59, 0.00299638/step, 3.07113 hours remaining, 206.839844 MB of memory in use. ENERGY: 1310200 766.6489 2023.5332 1944.5200 116.1988 -205471.3883 17538.0191 0.0000 0.0000 34034.3239 -149048.1443 297.2302 -183082.4682 -148948.4381 298.9347 -201.0000 -167.5424 558524.4218 -3.1330 -3.1205 PRESSURE: 1310400 -88.6047 44.2099 50.6495 44.2116 -38.4317 -60.4829 50.6494 -60.4828 -32.7793 GPRESSURE: 1310400 -42.495 40.6419 44.7661 38.0042 -25.5698 13.9507 59.4063 -59.8188 -8.80464 PRESSAVG: 1310400 2.67014 2.09219 30.3853 2.09213 86.3944 57.9844 30.3854 57.9843 -74.0171 GPRESSAVG: 1310400 3.27075 0.342517 29.6155 4.36436 84.6656 56.8723 30.2297 57.5837 -73.173 TIMING: 1310400 CPU: 3895.19, 0.003013/step Wall: 3895.19, 0.003013/step, 3.08799 hours remaining, 206.839844 MB of memory in use. ENERGY: 1310400 743.4639 2010.2970 1960.3171 105.2743 -205760.0073 17694.6895 0.0000 0.0000 34245.8265 -149000.1390 299.0773 -183245.9655 -148903.4639 299.3107 -53.2719 -25.6232 559140.6054 5.0158 4.9211 PRESSURE: 1310600 83.6338 4.31335 18.3221 4.31368 -20.3047 -29.0422 18.3204 -29.0403 -79.9942 GPRESSURE: 1310600 116.487 2.14737 -25.9586 -15.5035 3.09969 -54.1217 23.7718 -30.5028 -30.0817 PRESSAVG: 1310600 13.4453 29.0572 -8.42895 29.0572 23.9399 22.3405 -8.42897 22.3406 -16.6709 GPRESSAVG: 1310600 12.0344 31.5285 -7.53093 28.7725 24.6671 21.9293 -8.9734 22.9233 -16.3502 TIMING: 1310600 CPU: 3895.79, 0.00300948/step Wall: 3895.79, 0.00300948/step, 3.08422 hours remaining, 206.839844 MB of memory in use. ENERGY: 1310600 726.7767 2053.6526 1944.6311 122.8058 -205792.1800 17613.9638 0.0000 0.0000 34293.5978 -149036.7521 299.4945 -183330.3500 -148936.0989 299.6691 -5.5551 29.8351 557178.6425 6.9048 6.7838 PRESSURE: 1310800 -200.307 -201.131 -71.5928 -201.131 -31.9569 -37.1948 -71.5924 -37.1941 -166.989 GPRESSURE: 1310800 -161.018 -195.403 -37.8062 -66.3879 7.85199 -60.9588 -68.9487 -30.9629 -146.017 PRESSAVG: 1310800 -74.5854 22.321 33.6764 22.321 9.43715 3.08176 33.6763 3.0818 48.7574 GPRESSAVG: 1310800 -74.2969 20.9434 34.5027 23.4795 9.8991 3.79581 35.6371 2.48686 48.2128 TIMING: 1310800 CPU: 3896.39, 0.00300768/step Wall: 3896.39, 0.00300768/step, 3.0822 hours remaining, 206.839844 MB of memory in use. ENERGY: 1310800 770.0998 2104.7495 1951.6122 112.4405 -206105.5961 17770.5975 0.0000 0.0000 34456.1557 -148939.9410 300.9142 -183396.0966 -148848.8157 299.6417 -133.0843 -99.7276 557097.6363 -5.4636 -5.3950 PRESSURE: 1311000 87.4413 46.7152 -51.2312 46.714 99.6561 55.9719 -51.2295 55.971 -57.2535 GPRESSURE: 1311000 18.6229 -16.2569 -34.78 61.5791 111.668 -45.0202 -1.1754 69.2921 92.3492 PRESSAVG: 1311000 19.5352 -7.62097 6.75742 -7.62095 -26.7106 26.7737 6.75748 26.7739 42.5144 GPRESSAVG: 1311000 20.1321 -9.55095 6.39498 -5.79823 -27.6436 24.1849 8.5302 28.1888 42.997 TIMING: 1311000 CPU: 3897, 0.0030061/step Wall: 3897, 0.0030061/step, 3.08042 hours remaining, 206.839844 MB of memory in use. ENERGY: 1311000 737.0140 2154.6684 1950.7696 103.1163 -206250.3407 18083.2849 0.0000 0.0000 34320.7700 -148900.7176 299.7318 -183221.4876 -148802.2202 300.8155 43.2813 74.2132 558341.7807 11.7797 11.8285 PRESSURE: 1311200 -74.2057 3.37626 -124.273 3.37685 -196.799 -54.2185 -124.273 -54.2188 -139.016 GPRESSURE: 1311200 -6.3805 29.2957 -128.42 -60.61 -111.015 -95.0546 -95.5869 -22.6687 -199.356 PRESSAVG: 1311200 0.63911 -17.2548 -12.1544 -17.2548 27.7851 5.11871 -12.1544 5.11877 -13.1341 GPRESSAVG: 1311200 0.0314495 -14.5658 -13.5908 -18.9506 27.8844 7.90109 -13.5356 3.55243 -13.0974 TIMING: 1311200 CPU: 3897.6, 0.00303135/step Wall: 3897.6, 0.00303135/step, 3.10612 hours remaining, 206.839844 MB of memory in use. ENERGY: 1311200 742.8548 2105.9786 1935.8773 117.3583 -205861.0512 17525.2043 0.0000 0.0000 34453.9862 -148979.7917 300.8952 -183433.7779 -148882.8855 299.2932 -136.6736 -105.5841 557516.4183 5.0967 4.9395 PRESSURE: 1311400 -369.457 -40.6729 18.5447 -40.6733 -298.181 168.042 18.5462 168.041 -444.539 GPRESSURE: 1311400 -304.817 3.55236 23.8065 -77.6828 -268.179 181.277 15.6247 164.257 -439.632 PRESSAVG: 1311400 60.3251 6.60261 -13.2696 6.60253 -84.503 -0.193451 -13.2695 -0.1935 4.64031 GPRESSAVG: 1311400 61.6469 4.59731 -10.7848 6.51005 -85.0182 -0.294075 -14.4377 -1.10412 3.66402 TIMING: 1311400 CPU: 3898.21, 0.00305054/step Wall: 3898.21, 0.00305054/step, 3.12561 hours remaining, 206.839844 MB of memory in use. ENERGY: 1311400 743.5536 2098.3567 1942.1987 111.4969 -205772.9308 17446.4831 0.0000 0.0000 34357.3640 -149073.4777 300.0514 -183430.8417 -148974.0647 299.5658 -370.7257 -337.5425 558356.8819 -6.5126 -6.5691 PRESSURE: 1311600 -146.189 70.4391 115.319 70.4392 -49.9465 14.6894 115.318 14.6884 -213.119 GPRESSURE: 1311600 -132.359 8.26894 43.0658 146.257 1.1127 48.1166 132.066 20.2001 -188.299 PRESSAVG: 1311600 -4.19099 -23.7905 71.9835 -23.7905 56.4246 31.1408 71.9835 31.1406 -87.2455 GPRESSAVG: 1311600 -4.81005 -21.0437 71.1242 -26.5886 55.7481 31.3294 73.1502 31.5583 -86.2738 TIMING: 1311600 CPU: 3898.81, 0.00300214/step Wall: 3898.81, 0.00300214/step, 3.07586 hours remaining, 206.839844 MB of memory in use. ENERGY: 1311600 696.2756 2075.5819 1945.7357 112.5846 -205266.0924 17341.3344 0.0000 0.0000 34120.5262 -148974.0540 297.9830 -183094.5802 -148875.5163 299.4778 -136.4185 -106.5154 557459.8645 -11.6707 -11.7786 PRESSURE: 1311800 158.121 129.613 23.2035 129.612 48.9394 -139.358 23.2025 -139.357 30.8783 GPRESSURE: 1311800 239.405 -15.178 111.101 242.303 3.5739 -40.8898 -45.2483 -112.04 102.062 PRESSAVG: 1311800 31.4935 1.91765 -15.6559 1.91765 -6.3293 50.9131 -15.6559 50.913 -4.23234 GPRESSAVG: 1311800 31.9166 1.3628 -14.0933 3.80184 -6.15665 48.464 -16.9371 51.8363 -4.93859 TIMING: 1311800 CPU: 3899.41, 0.00298112/step Wall: 3899.41, 0.00298112/step, 3.05416 hours remaining, 206.839844 MB of memory in use. ENERGY: 1311800 735.2144 2035.1137 1940.1349 112.0215 -205813.7408 17873.7730 0.0000 0.0000 34266.4619 -148851.0213 299.2575 -183117.4833 -148754.5867 299.6869 79.3128 115.0134 558212.8033 6.9773 6.9404 PRESSURE: 1312000 -132.6 -187.228 126.778 -187.228 -183.316 74.9073 126.777 74.9078 9.98155 GPRESSURE: 1312000 -143.738 -49.5689 89.88 -254.062 -122.758 -41.9204 162.006 110.35 44.7194 PRESSAVG: 1312000 43.1344 -73.7309 63.9216 -73.731 -20.3879 23.9059 63.9215 23.9059 -16.3433 GPRESSAVG: 1312000 42.3825 -75.4492 63.3941 -73.5874 -19.5365 24.0852 63.6439 24.5463 -16.3893 TIMING: 1312000 CPU: 3900.01, 0.00301431/step Wall: 3900.01, 0.00301431/step, 3.08799 hours remaining, 206.839844 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: 1312000 739.4580 2136.9766 1942.3723 120.5880 -205748.7405 17627.5518 0.0000 0.0000 34159.7123 -149022.0815 298.3253 -183181.7938 -148924.6497 300.1756 -101.9782 -73.9257 557735.7117 2.1344 2.1522 PRESSURE: 1312200 269.547 -73.5035 -13.8629 -73.5024 -23.9346 219.634 -13.8645 219.634 -279.565 GPRESSURE: 1312200 226.375 -84.8028 -55.0479 -44.7193 31.85 296.874 56.8291 197.652 -198.927 PRESSAVG: 1312200 18.4827 -2.71106 -35.9663 -2.71107 15.9726 35.4672 -35.9663 35.467 -11.6693 GPRESSAVG: 1312200 19.2082 -0.0166946 -37.1169 -2.70061 14.2898 35.5502 -33.8266 35.3187 -11.2877 TIMING: 1312200 CPU: 3900.62, 0.00303038/step Wall: 3900.62, 0.00303038/step, 3.10429 hours remaining, 206.839844 MB of memory in use. ENERGY: 1312200 781.6322 2087.6898 1940.8036 107.3662 -205784.4728 17747.2675 0.0000 0.0000 34166.3655 -148953.3479 298.3834 -183119.7134 -148858.9487 299.1913 -11.3175 19.7660 557730.5437 7.5953 7.4035 LDB: ============= START OF LOAD BALANCING ============== 3904.05 LDB: ============== END OF LOAD BALANCING =============== 3904.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3904.05 LDB: ============= START OF LOAD BALANCING ============== 3904.35 LDB: Largest compute 4821 load 0.032257 is 27.3% of average load 0.118070 LDB: Average compute 0.001720 is 1.5% of average load 0.118070 LDB: TIME 3904.35 LOAD: AVG 0.11807 MAX 0.196112 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 3904.35 LOAD: AVG 0.11807 MAX 0.196112 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: TIME 3904.35 LOAD: AVG 0.11807 MAX 0.196112 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3904.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3904.36 PRESSURE: 1312400 -115.45 -155.939 -130.703 -155.94 16.374 90.0329 -130.702 90.033 -43.7468 GPRESSURE: 1312400 -46.0787 -165.357 -115.213 -122.95 28.5635 53.998 -78.8085 8.30998 -28.3128 PRESSAVG: 1312400 -7.49369 7.33193 -33.5719 7.33187 -37.4046 -28.842 -33.5719 -28.842 54.2007 GPRESSAVG: 1312400 -8.68383 5.16018 -32.9541 6.52387 -35.9682 -27.8711 -32.4994 -31.4595 54.2388 TIMING: 1312400 CPU: 3901.23, 0.00304739/step Wall: 3901.23, 0.00304739/step, 3.12154 hours remaining, 206.128906 MB of memory in use. ENERGY: 1312400 759.3887 2057.1416 1966.1574 111.8322 -205804.5598 17729.3389 0.0000 0.0000 34493.7859 -148686.9151 301.2428 -183180.7010 -148590.0099 299.8274 -47.6076 -15.2760 557354.8907 3.1008 3.1956 PRESSURE: 1312600 -135.482 -57.4013 -71.4627 -57.4011 -140.399 -0.617999 -71.462 -0.616066 -122.587 GPRESSURE: 1312600 -70.4514 -63.3226 -44.0121 21.754 -78.7268 70.2055 -131.674 -34.2654 -149.292 PRESSAVG: 1312600 -40.7669 -53.3253 22.7819 -53.3254 -4.2247 -7.368 22.7819 -7.36795 27.1475 GPRESSAVG: 1312600 -40.1046 -52.1134 23.9075 -53.5766 -5.99192 -9.59236 19.6294 -4.08999 28.2814 TIMING: 1312600 CPU: 3901.82, 0.00296973/step Wall: 3901.82, 0.00296973/step, 3.04183 hours remaining, 206.332031 MB of memory in use. ENERGY: 1312600 770.8658 2128.4472 1944.9373 104.0108 -205337.2791 17568.7950 0.0000 0.0000 34146.2621 -148673.9609 298.2078 -182820.2231 -148580.1051 300.9611 -132.8225 -99.4901 559339.4087 -5.9480 -5.9384 PRESSURE: 1312800 -343.36 -20.7968 40.4824 -20.7968 -118.304 -215.82 40.4834 -215.819 178.139 GPRESSURE: 1312800 -287.312 -67.3852 59.5248 -52.9446 -134.597 -173.558 34.8412 -191.423 257.971 PRESSAVG: 1312800 -46.2212 -9.96048 -11.8279 -9.96045 52.1616 24.8476 -11.8279 24.8475 12.4828 GPRESSAVG: 1312800 -45.8732 -9.21658 -12.2879 -8.94479 52.1656 25.6323 -11.7503 22.9831 12.1622 TIMING: 1312800 CPU: 3902.41, 0.00295734/step Wall: 3902.41, 0.00295734/step, 3.02898 hours remaining, 206.332031 MB of memory in use. ENERGY: 1312800 741.3399 2077.6499 1957.6840 117.4450 -205825.9048 17708.6309 0.0000 0.0000 34542.1805 -148680.9746 301.6655 -183223.1551 -148582.7674 300.7921 -94.5080 -54.6461 558705.8679 6.1411 6.1515 PRESSURE: 1313000 -98.5832 -17.677 47.5669 -17.6756 284.731 -84.5599 47.5668 -84.5596 -96.2489 GPRESSURE: 1313000 -48.4526 63.5535 63.8106 -8.24365 301.339 -73.7507 48.9432 -75.2092 -66.8688 PRESSAVG: 1313000 -33.8045 -24.636 -10.878 -24.636 64.3291 -14.5959 -10.878 -14.5959 -55.7226 GPRESSAVG: 1313000 -34.7893 -23.0719 -10.4383 -25.8363 65.2537 -14.7737 -10.1755 -13.9419 -55.4182 TIMING: 1313000 CPU: 3903, 0.0029547/step Wall: 3903, 0.0029547/step, 3.0261 hours remaining, 206.332031 MB of memory in use. ENERGY: 1313000 761.0307 2099.7845 1956.3040 104.6886 -206241.8109 17942.8579 0.0000 0.0000 34512.7149 -148864.4303 301.4081 -183377.1452 -148767.2305 300.4708 29.9663 62.0059 558737.9771 -8.3994 -8.3179 PRESSURE: 1313200 -98.8489 194.669 33.2403 194.67 11.9481 -57.6128 33.2399 -57.6124 -233.392 GPRESSURE: 1313200 -96.5619 151.558 111.279 158.51 45.7998 -35.2896 49.8922 -26.3162 -169.007 PRESSAVG: 1313200 -24.9672 38.3703 -20.6022 38.3702 59.8151 25.8567 -20.6022 25.8568 -8.85279 GPRESSAVG: 1313200 -24.7583 34.8364 -19.6999 37.6387 59.8673 27.1079 -21.7937 25.2805 -9.24567 TIMING: 1313200 CPU: 3903.6, 0.00300233/step Wall: 3903.6, 0.00300233/step, 3.07472 hours remaining, 206.332031 MB of memory in use. ENERGY: 1313200 739.7101 2148.4346 1964.5346 104.3819 -205588.2526 17518.3124 0.0000 0.0000 34162.3356 -148950.5434 298.3482 -183112.8790 -148854.0445 300.2969 -106.7643 -73.2565 558089.7446 8.6650 8.6211 PRESSURE: 1313400 95.6699 -82.3969 -66.9441 -82.3978 -520.685 243.207 -66.9452 243.208 166.292 GPRESSURE: 1313400 167.806 -83.971 -56.0987 -122.047 -479.513 217.566 -76.9083 350.053 159.193 PRESSAVG: 1313400 -19.2784 0.361465 -7.17962 0.36146 34.2109 21.8721 -7.17955 21.8721 -46.9383 GPRESSAVG: 1313400 -19.1321 4.22707 -8.4583 -0.451268 34.183 20.1958 -4.44377 22.7226 -47.2465 TIMING: 1313400 CPU: 3904.2, 0.00300238/step Wall: 3904.2, 0.00300238/step, 3.07461 hours remaining, 206.332031 MB of memory in use. ENERGY: 1313400 740.8767 2098.1599 1933.0237 95.7009 -205977.1819 17712.3045 0.0000 0.0000 34430.2067 -148966.9095 300.6876 -183397.1162 -148865.9008 299.9110 -86.2411 -50.8379 557745.8339 -10.6686 -10.7319 PRESSURE: 1313600 -51.5735 -87.3066 -152.479 -87.3057 -109.699 -136.12 -152.478 -136.121 -216.054 GPRESSURE: 1313600 -8.99511 -53.5027 -223.42 -128.801 -84.0065 -89.2994 -72.3161 -137.858 -181.782 PRESSAVG: 1313600 60.0078 5.97068 -31.5332 5.97064 -24.6945 21.3066 -31.5332 21.3067 6.53461 GPRESSAVG: 1313600 60.5755 3.4569 -30.3361 8.47761 -24.9612 20.2545 -30.7938 20.2678 6.16385 TIMING: 1313600 CPU: 3904.8, 0.0029842/step Wall: 3904.8, 0.0029842/step, 3.05582 hours remaining, 206.332031 MB of memory in use. ENERGY: 1313600 739.8490 2157.6766 1935.6350 105.8335 -205864.5255 17624.6640 0.0000 0.0000 34283.8045 -149017.0629 299.4090 -183300.8674 -148925.0613 300.3323 -125.7755 -91.5945 558153.8142 13.9493 13.9261 PRESSURE: 1313800 -234.117 342.568 -24.5359 342.567 -29.2734 -137.905 -24.5348 -137.903 -63.1089 GPRESSURE: 1313800 -220.672 365.654 -43.465 290.767 16.0746 -70.3154 4.58199 -84.0431 -6.7889 PRESSAVG: 1313800 -101.737 32.4017 -33.0427 32.4018 98.4125 1.89914 -33.0426 1.89917 53.2063 GPRESSAVG: 1313800 -102.452 32.5056 -34.0992 30.9155 98.5031 3.95688 -34.5528 1.99237 53.8911 TIMING: 1313800 CPU: 3905.4, 0.00298823/step Wall: 3905.4, 0.00298823/step, 3.05979 hours remaining, 206.332031 MB of memory in use. ENERGY: 1313800 765.9923 2091.7479 1957.7689 115.7773 -205793.8440 17553.1078 0.0000 0.0000 34353.3235 -148956.1264 300.0161 -183309.4500 -148858.4384 300.1537 -108.8330 -70.4620 557156.3016 16.6274 16.6474 PRESSURE: 1314000 -76.2295 66.2765 13.4361 66.2774 17.7635 -97.9086 13.4375 -97.9074 262.412 GPRESSURE: 1314000 -8.65196 4.16213 -78.3466 65.1752 68.8612 -92.3911 50.5202 -151.044 242.397 PRESSAVG: 1314000 -53.3761 39.0948 -12.5444 39.0947 -27.2227 -14.8802 -12.5444 -14.8803 67.289 GPRESSAVG: 1314000 -53.1365 37.7985 -14.0175 40.039 -25.9916 -15.2249 -12.8589 -16.3677 66.1691 TIMING: 1314000 CPU: 3905.99, 0.00297707/step Wall: 3905.99, 0.00297707/step, 3.04819 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: 1314000 768.2243 2083.6701 1941.7838 99.9894 -205983.1932 17811.8833 0.0000 0.0000 34230.2051 -149047.4372 298.9409 -183277.6422 -148944.7853 300.1163 67.9819 100.8687 556742.1994 -4.4366 -4.3196 PRESSURE: 1314200 9.576 38.6074 -216.115 38.6081 -27.3422 -104.838 -216.115 -104.836 150.429 GPRESSURE: 1314200 52.9507 -26.4171 -168.82 -31.7515 -2.11279 -77.3716 -306.816 -101.297 182.616 PRESSAVG: 1314200 -13.6755 -4.77298 12.2734 -4.77306 34.0275 15.8508 12.2734 15.8507 5.01094 GPRESSAVG: 1314200 -12.7034 -3.37757 13.4142 -5.78795 33.179 16.9746 12.5606 17.1899 5.82337 TIMING: 1314200 CPU: 3906.59, 0.00297779/step Wall: 3906.59, 0.00297779/step, 3.04876 hours remaining, 206.332031 MB of memory in use. ENERGY: 1314200 791.0880 2072.3212 1931.5282 116.1989 -205873.9845 17868.9713 0.0000 0.0000 34098.4931 -148995.3838 297.7906 -183093.8769 -148898.8164 299.2217 44.2210 77.8180 557490.4278 8.4543 8.7663 PRESSURE: 1314400 65.1433 49.5045 92.7116 49.5033 -196.143 -37.2446 92.7118 -37.2441 -39.1856 GPRESSURE: 1314400 102.249 32.3568 119.63 18.331 -180.926 -37.0915 157.824 -35.459 14.3726 PRESSAVG: 1314400 -2.53384 31.4969 -22.4072 31.4969 -48.422 -55.9333 -22.4072 -55.9333 82.8762 GPRESSAVG: 1314400 -3.84703 28.8898 -24.0934 32.0722 -48.0712 -57.3085 -20.1284 -54.4948 84.1862 TIMING: 1314400 CPU: 3907.18, 0.0029683/step Wall: 3907.18, 0.0029683/step, 3.03888 hours remaining, 206.332031 MB of memory in use. ENERGY: 1314400 780.6189 2102.2674 1941.7782 112.5807 -205444.2364 17561.6689 0.0000 0.0000 34116.8012 -148828.5211 297.9505 -182945.3223 -148737.2727 299.7418 -56.7286 -21.4346 558187.0125 10.6401 10.7560 PRESSURE: 1314600 -68.2711 12.9836 106.034 12.984 -327.927 -14.8677 106.034 -14.8699 -243.215 GPRESSURE: 1314600 -6.43854 12.7393 89.827 45.2318 -288.555 8.20673 56.4311 -39.966 -256.671 PRESSAVG: 1314600 -41.0595 -50.1113 3.26137 -50.1112 -44.7263 -23.4226 3.26136 -23.4227 27.5609 GPRESSAVG: 1314600 -40.9121 -48.2138 3.24999 -48.5128 -43.3038 -21.9146 2.41724 -23.2033 26.5521 TIMING: 1314600 CPU: 3907.78, 0.00299081/step Wall: 3907.78, 0.00299081/step, 3.06176 hours remaining, 206.332031 MB of memory in use. ENERGY: 1314600 756.4003 2102.3555 1937.2908 123.0971 -205897.9559 17526.0545 0.0000 0.0000 34321.8947 -149130.8630 299.7416 -183452.7576 -149028.2494 299.0993 -213.1379 -183.8883 558203.7247 -19.4083 -19.2213 PRESSURE: 1314800 -114.284 38.8429 -51.8065 38.8422 -175.04 -97.9837 -51.806 -97.9832 -102.672 GPRESSURE: 1314800 -85.1472 25.3187 -110.539 106.217 -139.304 -109.21 -14.9343 -104.971 -72.3308 PRESSAVG: 1314800 43.7208 21.1327 -34.2709 21.1327 -14.3638 63.2197 -34.2708 63.2197 6.80552 GPRESSAVG: 1314800 44.5793 22.3501 -33.1318 18.8179 -15.4384 61.4309 -36.073 61.5747 7.18766 TIMING: 1314800 CPU: 3908.38, 0.00298809/step Wall: 3908.38, 0.00298809/step, 3.0588 hours remaining, 206.332031 MB of memory in use. ENERGY: 1314800 747.2318 2144.0670 1916.0500 112.4725 -205924.6031 17633.4342 0.0000 0.0000 34147.6659 -149223.6817 298.2201 -183371.3476 -149115.4944 298.7433 -130.6653 -98.9272 559385.3544 12.0542 12.1095 PRESSURE: 1315000 -66.2052 19.0278 -26.8204 19.0266 -66.5406 57.949 -26.8201 57.9504 47.692 GPRESSURE: 1315000 -28.4837 20.8154 -34.7107 61.4503 -50.3494 142.621 -91.2301 97.9533 86.6619 PRESSAVG: 1315000 9.5644 19.8291 -44.0733 19.8292 56.4839 2.75944 -44.0733 2.75938 -53.2345 GPRESSAVG: 1315000 9.29323 17.7819 -43.8748 21.0325 56.8612 4.44239 -44.0354 3.37534 -53.1044 TIMING: 1315000 CPU: 3908.98, 0.00300207/step Wall: 3908.98, 0.00300207/step, 3.07295 hours remaining, 206.332031 MB of memory in use. ENERGY: 1315000 730.8180 2136.5802 1945.9638 113.5418 -206187.8984 17815.3499 0.0000 0.0000 34239.0400 -149206.6047 299.0181 -183445.6448 -149105.8224 298.9553 -28.3513 2.6096 557895.3885 4.2713 4.3500 PRESSURE: 1315200 -110.599 105.192 23.9216 105.192 61.5124 -152.043 23.9212 -152.042 378.928 GPRESSURE: 1315200 -11.7114 147.065 73.8583 78.3158 61.4998 -256.997 35.8488 -105.657 381.348 PRESSAVG: 1315200 -34.3532 45.9228 -44.1658 45.9229 -49.1248 -21.9812 -44.1658 -21.9812 110.494 GPRESSAVG: 1315200 -32.3566 47.2894 -45.0748 42.9168 -49.1501 -24.4615 -43.9338 -20.948 108.793 TIMING: 1315200 CPU: 3909.58, 0.00299268/step Wall: 3909.58, 0.00299268/step, 3.06318 hours remaining, 206.332031 MB of memory in use. ENERGY: 1315200 724.3156 2033.7982 1957.3075 118.5131 -206391.1361 17987.5378 0.0000 0.0000 34503.0761 -149066.5879 301.3239 -183569.6639 -148966.8229 299.1707 109.9473 143.7121 555766.5103 9.0053 9.0953 PRESSURE: 1315400 9.736 187.261 80.6727 187.261 -155.591 17.2954 80.6731 17.2957 35.4417 GPRESSURE: 1315400 37.3815 217.243 39.7809 131.089 -97.1903 72.9989 81.3121 44.8118 42.6197 PRESSAVG: 1315400 -19.2255 68.0686 -69.8678 68.0686 2.47764 -30.4374 -69.8678 -30.4375 38.3766 GPRESSAVG: 1315400 -19.6358 68.2505 -68.9869 70.964 1.98943 -29.9314 -69.789 -31.3351 38.8168 TIMING: 1315400 CPU: 3910.18, 0.00302183/step Wall: 3910.18, 0.00302183/step, 3.09285 hours remaining, 206.332031 MB of memory in use. ENERGY: 1315400 716.9381 2143.5245 1920.0163 114.4816 -205634.1998 17592.5110 0.0000 0.0000 34207.1323 -148939.5960 298.7394 -183146.7283 -148846.5604 299.2585 -36.8045 -5.7297 557816.4597 7.2096 7.0568 PRESSURE: 1315600 -130.214 97.142 186.589 97.1408 -252.309 -51.9518 186.588 -51.95 -28.1251 GPRESSURE: 1315600 -122.691 83.0211 234.127 111.084 -195.225 -76.1481 197.681 -74.6846 -3.59376 PRESSAVG: 1315600 48.3419 19.5307 29.3252 19.5306 -20.2546 -41.9399 29.3253 -41.9399 -7.67215 GPRESSAVG: 1315600 46.5429 18.6692 26.9885 17.6974 -18.5709 -42.1731 30.3892 -40.5775 -7.17667 TIMING: 1315600 CPU: 3910.79, 0.00302945/step Wall: 3910.79, 0.00302945/step, 3.10048 hours remaining, 206.332031 MB of memory in use. ENERGY: 1315600 746.2972 2110.9514 1932.6042 110.4226 -205473.1937 17363.8705 0.0000 0.0000 34287.4431 -148921.6047 299.4408 -183209.0477 -148822.7962 300.0318 -136.8827 -107.1698 558068.2940 6.8051 6.9318 PRESSURE: 1315800 -279.991 -37.2376 15.2857 -37.238 -56.5344 -55.6233 15.2868 -55.6231 -56.4639 GPRESSURE: 1315800 -208.317 -59.7666 23.9577 -39.7808 -38.8551 -26.0759 32.1125 25.4209 -54.7303 PRESSAVG: 1315800 26.8209 38.9841 51.6025 38.9841 -20.1398 -69.0213 51.6025 -69.0213 17.4663 GPRESSAVG: 1315800 28.8776 38.5583 55.9835 39.3076 -21.8555 -67.186 49.0723 -71.0388 16.8987 TIMING: 1315800 CPU: 3911.39, 0.00298521/step Wall: 3911.39, 0.00298521/step, 3.05503 hours remaining, 206.332031 MB of memory in use. ENERGY: 1315800 756.6487 2117.4878 1937.6959 119.0812 -205667.0931 17579.7388 0.0000 0.0000 34223.0315 -148933.4091 298.8782 -183156.4406 -148834.8998 299.8649 -130.9966 -100.6342 558051.0238 8.0491 7.9736 PRESSURE: 1316000 106.156 -47.5221 -46.3053 -47.5214 -70.5862 -1.7203 -46.3061 -1.72091 94.8155 GPRESSURE: 1316000 116.016 -33.4073 -114.546 -137.527 -29.2664 -25.2413 6.43588 24.5481 133.823 PRESSAVG: 1316000 -14.5151 9.28492 16.8726 9.28489 0.0472121 11.4846 16.8725 11.4845 25.8312 GPRESSAVG: 1316000 -15.2626 8.67682 14.1885 10.2016 0.950427 8.8739 17.5311 12.664 26.2126 TIMING: 1316000 CPU: 3911.99, 0.00300346/step Wall: 3911.99, 0.00300346/step, 3.07354 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: 1316000 727.2318 2052.6807 1947.2371 113.1215 -206006.1188 17855.3134 0.0000 0.0000 34473.7125 -148836.8218 301.0675 -183310.5343 -148740.6561 300.0968 43.4619 73.5243 557787.8917 3.7878 3.9668 PRESSURE: 1316200 -393.875 116.025 -5.08668 116.027 -291.194 61.0982 -5.08623 61.0971 -158.314 GPRESSURE: 1316200 -343.59 116.716 -33.705 69.0878 -259.948 17.7219 78.5726 5.86957 -164.974 PRESSAVG: 1316200 7.39115 -46.4872 110.956 -46.4871 5.66802 -27.8032 110.956 -27.8033 1.68983 GPRESSAVG: 1316200 6.52318 -44.7124 112.64 -47.5989 6.52987 -25.3146 109.807 -28.164 1.60288 TIMING: 1316200 CPU: 3912.58, 0.00297238/step Wall: 3912.58, 0.00297238/step, 3.04157 hours remaining, 206.332031 MB of memory in use. ENERGY: 1316200 752.2213 2104.0740 1953.9712 106.5558 -205754.3551 17466.7661 0.0000 0.0000 34442.2937 -148928.4730 300.7931 -183370.7667 -148829.9138 300.2775 -281.1276 -256.1707 559226.1171 4.9163 4.8853 LDB: ============= START OF LOAD BALANCING ============== 3916.01 LDB: ============== END OF LOAD BALANCING =============== 3916.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3916.01 LDB: ============= START OF LOAD BALANCING ============== 3916.31 LDB: Largest compute 4821 load 0.030662 is 26.0% of average load 0.118113 LDB: Average compute 0.001712 is 1.4% of average load 0.118113 LDB: TIME 3916.31 LOAD: AVG 0.118113 MAX 0.201301 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 3916.31 LOAD: AVG 0.118113 MAX 0.201301 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.391 MB LDB: TIME 3916.31 LOAD: AVG 0.118113 MAX 0.201301 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.391 MB LDB: ============== END OF LOAD BALANCING =============== 3916.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3916.32 PRESSURE: 1316400 -77.1274 140.303 -59.5784 140.303 11.6597 78.3133 -59.5796 78.313 86.2965 GPRESSURE: 1316400 -45.4894 238.805 -146.282 21.7648 25.4457 73.841 -12.4862 128.342 145.957 PRESSAVG: 1316400 3.12955 -37.074 48.122 -37.074 -27.5695 4.62912 48.122 4.62912 12.8697 GPRESSAVG: 1316400 4.24554 -37.708 45.693 -36.4092 -29.3595 6.02406 50.5763 2.40529 13.7786 TIMING: 1316400 CPU: 3913.19, 0.00304018/step Wall: 3913.19, 0.00304018/step, 3.11077 hours remaining, 205.421875 MB of memory in use. ENERGY: 1316400 720.8271 2097.7966 1947.2522 113.9275 -206108.6200 17846.4134 0.0000 0.0000 34204.8481 -149177.5550 298.7194 -183382.4032 -149081.9775 299.5784 6.9429 41.9712 559015.1061 -3.8568 -3.7784 PRESSURE: 1316600 360.058 -1.93365 -171.02 -1.93251 -8.16091 -99.3126 -171.021 -99.3112 -69.8811 GPRESSURE: 1316600 411.183 -27.8517 -258.302 40.6494 -1.5229 -96.4684 -186.398 -94.1432 -29.5537 PRESSAVG: 1316600 -1.14319 -41.928 -11.0403 -41.928 24.6092 36.3351 -11.0403 36.3351 -4.96382 GPRESSAVG: 1316600 -1.22918 -43.4335 -11.82 -40.8516 25.3321 35.5255 -10.4932 38.2435 -5.39788 TIMING: 1316600 CPU: 3913.79, 0.00298542/step Wall: 3913.79, 0.00298542/step, 3.05458 hours remaining, 205.421875 MB of memory in use. ENERGY: 1316600 759.2864 2043.6823 1917.1635 107.3828 -206601.7918 18295.6842 0.0000 0.0000 34297.1281 -149181.4646 299.5253 -183478.5927 -149084.1512 298.7021 94.0053 126.7022 558761.6120 6.1674 6.2350 PRESSURE: 1316800 -234.703 -76.0477 -124.899 -76.0471 -194.799 -55.6619 -124.899 -55.662 -143.335 GPRESSURE: 1316800 -181.471 -98.2558 -67.8963 -42.612 -197.761 -100.185 -207.028 16.4424 -103.571 PRESSAVG: 1316800 79.77 12.3709 -43.6011 12.3709 -32.0549 -35.6509 -43.601 -35.6508 1.41188 GPRESSAVG: 1316800 78.4777 12.5096 -40.2474 12.9516 -31.7687 -34.668 -45.0122 -35.0656 2.3543 TIMING: 1316800 CPU: 3914.38, 0.00297895/step Wall: 3914.38, 0.00297895/step, 3.04779 hours remaining, 205.421875 MB of memory in use. ENERGY: 1316800 757.2355 2101.8645 1950.7569 118.2356 -205804.0057 17571.2277 0.0000 0.0000 34210.8474 -149093.8381 298.7718 -183304.6854 -148991.5069 299.3027 -190.9458 -160.9344 559208.6701 16.3757 16.3544 PRESSURE: 1317000 -4.68709 58.7114 27.8787 58.7111 -93.8378 -12.816 27.8785 -12.8159 -213.539 GPRESSURE: 1317000 84.8548 154.978 73.6089 93.3835 -77.9416 16.983 -2.77528 8.1255 -220.74 PRESSAVG: 1317000 -16.9572 11.3461 -14.0165 11.3461 41.4354 -7.12177 -14.0165 -7.12179 -23.4711 GPRESSAVG: 1317000 -14.9846 13.3773 -14.3146 9.28638 40.706 -5.55492 -14.2842 -9.28242 -24.4028 TIMING: 1317000 CPU: 3914.98, 0.00297344/step Wall: 3914.98, 0.00297344/step, 3.042 hours remaining, 205.421875 MB of memory in use. ENERGY: 1317000 776.8838 2100.1231 1928.0804 100.0900 -205664.1305 17601.2645 0.0000 0.0000 34303.5001 -148854.1887 299.5810 -183157.6888 -148754.7031 300.0805 -104.0214 -71.2755 557991.8879 0.3357 0.4395 PRESSURE: 1317200 -176.493 44.0553 -49.7845 44.0556 -116.268 41.6328 -49.7848 41.6341 -89.0571 GPRESSURE: 1317200 -148.836 36.8105 26.3605 16.4962 -54.4513 -2.00348 -98.3027 26.0171 -77.3304 PRESSAVG: 1317200 24.1517 28.786 -6.74011 28.786 26.3809 6.58173 -6.74003 6.58172 -53.6939 GPRESSAVG: 1317200 24.011 28.2293 -5.8307 28.3455 26.1561 5.18065 -9.03192 7.68968 -53.7374 TIMING: 1317200 CPU: 3915.58, 0.00300502/step Wall: 3915.58, 0.00300501/step, 3.07413 hours remaining, 205.421875 MB of memory in use. ENERGY: 1317200 759.9805 2116.0820 1960.7478 102.1260 -205994.8051 17686.9081 0.0000 0.0000 34289.1011 -149079.8597 299.4552 -183368.9607 -148987.8467 300.1226 -127.2726 -93.5391 557735.6536 -1.0538 -1.1901 PRESSURE: 1317400 -16.8163 210.852 26.2029 210.853 -442.221 214.52 26.2029 214.519 130.523 GPRESSURE: 1317400 -0.401074 183.529 0.873745 147.54 -422.519 216.52 104.405 194.878 197.069 PRESSAVG: 1317400 11.392 51.5062 1.71048 51.5063 -29.2674 26.9011 1.71046 26.9012 -13.312 GPRESSAVG: 1317400 11.1493 50.8781 -2.33569 52.675 -28.2143 25.8918 6.25248 25.3847 -14.6697 TIMING: 1317400 CPU: 3916.18, 0.00298858/step Wall: 3916.18, 0.00298858/step, 3.05715 hours remaining, 205.421875 MB of memory in use. ENERGY: 1317400 764.4579 2055.3934 1965.6849 112.7094 -206124.8544 17653.1248 0.0000 0.0000 34355.4332 -149218.0508 300.0345 -183573.4839 -149116.9972 299.7050 -109.5047 -75.2838 557924.5860 -10.3958 -10.5782 PRESSURE: 1317600 91.5697 27.6938 212.106 27.6943 -109.309 61.1181 212.105 61.1187 160.052 GPRESSURE: 1317600 121.22 65.9558 276.252 50.6912 -118.291 43.6172 178.585 163.836 245.54 PRESSAVG: 1317600 56.3502 25.2867 39.0545 25.2867 -11.2174 -17.9542 39.0546 -17.9542 -10.0745 GPRESSAVG: 1317600 56.2284 25.3533 40.1686 23.3725 -12.7152 -18.5824 38.3343 -16.1696 -9.18167 TIMING: 1317600 CPU: 3916.78, 0.00302768/step Wall: 3916.78, 0.00302768/step, 3.09698 hours remaining, 205.421875 MB of memory in use. ENERGY: 1317600 730.5092 2002.4897 1969.3180 125.7995 -205946.2276 17776.5777 0.0000 0.0000 34196.8244 -149144.7091 298.6494 -183341.5335 -149042.0300 298.8488 47.4376 82.8228 557128.4237 11.6861 11.4438 PRESSURE: 1317800 49.8761 60.0595 117.13 60.059 100.572 152.347 117.131 152.347 -63.9799 GPRESSURE: 1317800 117.555 54.3215 102.064 60.0176 90.8396 100.922 61.9821 121.843 -28.6052 PRESSAVG: 1317800 -12.3264 -5.63191 2.20671 -5.63189 3.98025 30.1585 2.20674 30.1586 2.94927 GPRESSAVG: 1317800 -13.0869 -5.00872 3.32777 -4.14441 4.76768 30.4877 1.29675 30.8277 2.62581 TIMING: 1317800 CPU: 3917.38, 0.00300089/step Wall: 3917.38, 0.00300089/step, 3.06941 hours remaining, 205.421875 MB of memory in use. ENERGY: 1317800 754.0822 1999.5770 1973.2083 104.5135 -206220.9235 17781.4381 0.0000 0.0000 34388.0646 -149220.0398 300.3195 -183608.1044 -149125.6309 299.3734 28.8228 59.9298 557303.4345 -1.7990 -1.8978 PRESSURE: 1318000 155.406 -2.00788 31.4981 -2.00854 240.276 35.9291 31.4978 35.9287 365.442 GPRESSURE: 1318000 223.134 -77.7458 -18.8291 46.0421 293.572 -15.1741 82.3706 117.001 348.017 PRESSAVG: 1318000 33.1945 25.0859 53.5917 25.0859 -35.4241 48.7456 53.5917 48.7456 70.2054 GPRESSAVG: 1318000 33.0139 25.5079 52.6374 24.1377 -35.3695 48.2038 54.8994 48.656 70.2488 TIMING: 1318000 CPU: 3917.98, 0.00299591/step Wall: 3917.98, 0.00299591/step, 3.06415 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: 1318000 707.8793 2144.7828 1963.2731 108.6516 -206545.8079 18208.2969 0.0000 0.0000 34191.4130 -149221.5111 298.6021 -183412.9241 -149127.3060 299.1341 253.7081 288.2409 556924.8441 22.6586 22.6311 PRESSURE: 1318200 81.4519 -5.17529 -83.027 -5.17521 -159.194 -19.7259 -83.0265 -19.7255 -25.8169 GPRESSURE: 1318200 127.29 3.00828 -125.789 -73.0213 -151.659 63.6015 -51.7101 42.0806 5.10829 PRESSAVG: 1318200 10.4154 -25.2577 -7.20369 -25.2577 -50.3837 102.671 -7.20368 102.671 23.4235 GPRESSAVG: 1318200 10.9727 -25.6415 -7.4471 -25.3462 -50.7263 103.667 -8.89715 102.05 22.757 TIMING: 1318200 CPU: 3918.58, 0.00300859/step Wall: 3918.58, 0.00300859/step, 3.07696 hours remaining, 205.421875 MB of memory in use. ENERGY: 1318200 722.9319 2116.9502 1973.7594 129.6984 -206216.9217 17816.6213 0.0000 0.0000 34245.6836 -149211.2768 299.0761 -183456.9604 -149116.1639 298.9284 -34.5196 -6.4200 558258.6833 -5.5149 -5.6655 PRESSURE: 1318400 250.101 59.6007 -28.2324 59.6 -129.811 38.0711 -28.2312 38.0693 272.498 GPRESSURE: 1318400 299.54 128.973 -67.0238 55.1302 -102.022 79.279 -27.6111 90.314 300.016 PRESSAVG: 1318400 -19.6 -16.7871 -35.0301 -16.7871 -14.1276 23.8052 -35.03 23.8052 36.1705 GPRESSAVG: 1318400 -19.8648 -14.429 -33.9253 -17.6454 -14.0989 22.5797 -36.0147 23.5533 36.2783 TIMING: 1318400 CPU: 3919.18, 0.00299212/step Wall: 3919.18, 0.00299212/step, 3.05994 hours remaining, 205.421875 MB of memory in use. ENERGY: 1318400 747.2174 2101.5111 1964.2126 120.4291 -206404.6792 18098.7165 0.0000 0.0000 34175.2335 -149197.3590 298.4608 -183372.5925 -149098.9405 299.6320 130.9294 165.8444 557756.8416 0.8143 0.7715 PRESSURE: 1318600 -188.317 -70.1837 48.2756 -70.184 -90.0561 58.2083 48.2749 58.2096 -155.675 GPRESSURE: 1318600 -118.307 -124.8 3.14964 -101.03 -50.0615 24.4005 21.9114 76.9626 -155.627 PRESSAVG: 1318600 6.84718 -5.39985 -38.4908 -5.39985 1.08554 60.2449 -38.4908 60.2449 -40.8245 GPRESSAVG: 1318600 6.01162 -7.48867 -40.5283 -4.10009 0.782318 60.7283 -36.5205 59.2081 -39.5871 TIMING: 1318600 CPU: 3919.78, 0.00301133/step Wall: 3919.78, 0.00301133/step, 3.07942 hours remaining, 205.421875 MB of memory in use. ENERGY: 1318600 745.4717 2093.5048 1954.6619 108.8036 -206152.4459 17693.9868 0.0000 0.0000 34245.0369 -149310.9802 299.0704 -183556.0171 -149209.6054 299.0189 -144.6827 -107.9983 558499.5280 -10.9639 -10.9310 PRESSURE: 1318800 -254.616 7.20772 -136.508 7.20799 -217.57 39.9478 -136.508 39.9457 -106.307 GPRESSURE: 1318800 -201.2 79.4129 -112.353 22.3078 -217.797 -41.5457 -128.534 47.4596 -64.2393 PRESSAVG: 1318800 -7.83713 11.7521 -57.8562 11.752 34.934 34.0163 -57.8562 34.0163 -39.4728 GPRESSAVG: 1318800 -6.94584 12.3 -55.2592 10.5874 34.7717 34.3734 -58.8174 34.991 -40.0969 TIMING: 1318800 CPU: 3920.38, 0.00300933/step Wall: 3920.38, 0.00300933/step, 3.07721 hours remaining, 205.421875 MB of memory in use. ENERGY: 1318800 756.2610 2076.0298 1939.9701 108.2598 -205902.2538 17658.8839 0.0000 0.0000 34137.0603 -149225.7890 298.1274 -183362.8493 -149132.8074 298.4186 -192.8311 -161.0788 559114.0022 -4.1253 -4.0904 PRESSURE: 1319000 -11.4616 -100.999 -71.9397 -101 -172.191 62.1751 -71.9389 62.1722 29.2505 GPRESSURE: 1319000 15.3748 -3.82939 -77.2223 -121.853 -130.665 24.6258 -125.366 97.219 61.8283 PRESSAVG: 1319000 17.8178 -19.7052 -1.84239 -19.7053 0.239191 35.8856 -1.84238 35.8857 20.4262 GPRESSAVG: 1319000 17.5493 -19.6707 -1.47555 -19.695 1.54198 35.9079 -2.98644 35.5762 18.9615 TIMING: 1319000 CPU: 3920.99, 0.00300489/step Wall: 3920.99, 0.00300489/step, 3.0725 hours remaining, 205.421875 MB of memory in use. ENERGY: 1319000 756.5718 2060.1856 1911.1634 121.5053 -206234.0463 17932.1514 0.0000 0.0000 34219.5886 -149232.8802 298.8482 -183452.4688 -149139.1860 298.7471 -51.4675 -17.8207 557375.3025 12.8277 12.6843 PRESSURE: 1319200 -80.5737 -54.6754 -84.2491 -54.6762 -83.9266 -126.622 -84.2486 -126.622 12.2293 GPRESSURE: 1319200 -56.1529 -40.1285 -109.827 -49.4695 -38.3098 -183.55 -36.7439 -103.847 22.1267 PRESSAVG: 1319200 -41.5471 17.2299 -21.02 17.2301 51.4499 -49.8446 -21.0201 -49.8446 -20.0916 GPRESSAVG: 1319200 -41.4507 16.1011 -22.9885 19.1797 50.1759 -51.0063 -18.1543 -48.2989 -18.9887 TIMING: 1319200 CPU: 3921.58, 0.00299598/step Wall: 3921.58, 0.00299598/step, 3.06322 hours remaining, 205.421875 MB of memory in use. ENERGY: 1319200 730.5542 2082.8092 1956.9580 115.6660 -206272.0202 17912.9015 0.0000 0.0000 34396.9450 -149076.1864 300.3971 -183473.1315 -148984.0857 299.5956 -50.7570 -24.1120 559903.3464 -3.3963 -3.4212 PRESSURE: 1319400 14.7559 62.6235 70.1579 62.624 -79.4927 50.7088 70.1581 50.7097 -159.413 GPRESSURE: 1319400 59.6078 86.9255 -3.80794 44.6386 -85.7506 -97.9604 87.4617 120.485 -103.668 PRESSAVG: 1319400 4.72422 20.305 -17.6129 20.305 42.3709 22.5889 -17.613 22.5888 -13.5012 GPRESSAVG: 1319400 3.88518 19.9857 -16.1907 19.5732 43.1711 24.8463 -19.5524 20.911 -13.3738 TIMING: 1319400 CPU: 3922.19, 0.00301317/step Wall: 3922.19, 0.00301317/step, 3.08063 hours remaining, 205.421875 MB of memory in use. ENERGY: 1319400 743.8006 2078.6465 1952.9767 112.1894 -206073.0753 17727.2145 0.0000 0.0000 34354.3592 -149103.8884 300.0252 -183458.2475 -149001.7119 299.6731 -74.7166 -43.2702 558158.3292 11.1980 11.2275 PRESSURE: 1319600 142.172 -22.8993 69.2574 -22.8996 139.89 -19.0699 69.2566 -19.0677 179.843 GPRESSURE: 1319600 214.185 20.702 92.8326 -23.5087 177.819 -97.8534 -32.4301 -23.7754 157.189 PRESSAVG: 1319600 0.324096 12.2612 -13.8883 12.2612 -40.5694 -45.7813 -13.8882 -45.7813 -0.215213 GPRESSAVG: 1319600 0.880418 14.8401 -14.7692 11.7483 -41.039 -46.3913 -14.1621 -44.3133 -1.19458 TIMING: 1319600 CPU: 3922.79, 0.00303274/step Wall: 3922.79, 0.00303274/step, 3.10047 hours remaining, 205.421875 MB of memory in use. ENERGY: 1319600 728.5968 2088.0682 1953.3446 99.0404 -206386.0424 18009.2868 0.0000 0.0000 34359.7998 -149147.9059 300.0727 -183507.7057 -149051.3442 298.9038 153.9682 183.0644 556875.0708 -13.4868 -13.7844 PRESSURE: 1319800 -12.5078 -148.821 92.1776 -148.821 -106.417 103.311 92.1784 103.31 -411.492 GPRESSURE: 1319800 -20.3317 -168.897 -27.4799 -168.562 -50.1711 61.2005 64.5435 83.3626 -362.988 PRESSAVG: 1319800 17.9132 -29.6519 -0.0220222 -29.6519 -15.4744 12.59 -0.0221449 12.59 0.0637958 GPRESSAVG: 1319800 17.0214 -32.6459 0.225588 -29.9122 -16.5694 11.0906 -0.326458 10.1974 1.36142 TIMING: 1319800 CPU: 3923.4, 0.00301597/step Wall: 3923.4, 0.00301597/step, 3.08315 hours remaining, 205.421875 MB of memory in use. ENERGY: 1319800 804.6226 2061.7129 1950.2147 104.7781 -205809.0387 17514.7672 0.0000 0.0000 34285.8684 -149087.0749 299.4270 -183372.9433 -148987.8487 299.3712 -176.8056 -144.4969 557284.1126 0.8342 0.6045 PRESSURE: 1320000 -147.1 59.2753 -10.1853 59.2739 -340.201 -78.538 -10.1847 -78.5371 -356.042 GPRESSURE: 1320000 -121.965 -33.5905 12.8587 60.9198 -328.409 -57.8606 -81.8673 -162.414 -294.747 PRESSAVG: 1320000 32.1553 -13.6112 10.5829 -13.6111 -15.2293 16.8667 10.5829 16.8668 14.1927 GPRESSAVG: 1320000 32.3966 -12.1481 10.5297 -13.0654 -13.9828 18.1888 11.7825 17.4514 12.4962 TIMING: 1320000 CPU: 3923.99, 0.00296862/step Wall: 3923.99, 0.00296862/step, 3.03459 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: 1320000 792.5501 2101.8895 1978.8773 128.9982 -205763.0999 17359.1147 0.0000 0.0000 34318.7361 -149082.9340 299.7141 -183401.6700 -148992.3306 300.1797 -281.1142 -248.3736 557617.9618 10.3729 10.3033 PRESSURE: 1320200 -29.0388 -50.1188 -48.8843 -50.1196 -223.817 226.554 -48.8841 226.554 -239.107 GPRESSURE: 1320200 -8.38926 97.1587 24.6311 -50.3883 -176.797 263.88 -151.638 226.188 -226.381 PRESSAVG: 1320200 56.9983 -23.0172 5.28867 -23.0172 10.4222 31.764 5.28869 31.7638 -35.9016 GPRESSAVG: 1320200 56.6819 -22.0702 6.41076 -24.5977 9.90522 32.4427 4.99111 32.0237 -35.2118 TIMING: 1320200 CPU: 3924.58, 0.00296291/step Wall: 3924.58, 0.00296291/step, 3.02859 hours remaining, 205.421875 MB of memory in use. ENERGY: 1320200 728.3143 2124.2988 1957.6593 120.9158 -205531.7353 17356.1721 0.0000 0.0000 34358.4731 -148885.9019 300.0611 -183244.3751 -148780.1526 300.2551 -163.9877 -137.1890 557511.9026 10.5063 10.4584 LDB: ============= START OF LOAD BALANCING ============== 3928.01 LDB: ============== END OF LOAD BALANCING =============== 3928.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3928.01 LDB: ============= START OF LOAD BALANCING ============== 3928.31 LDB: Largest compute 4821 load 0.032212 is 27.3% of average load 0.117984 LDB: Average compute 0.001725 is 1.5% of average load 0.117984 LDB: TIME 3928.31 LOAD: AVG 0.117984 MAX 0.195016 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 3928.31 LOAD: AVG 0.117984 MAX 0.195016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.445 MB LDB: TIME 3928.31 LOAD: AVG 0.117984 MAX 0.195016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3928.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3928.32 PRESSURE: 1320400 -423.275 -162.925 117.647 -162.926 -459.293 22.2812 117.647 22.2815 -165.991 GPRESSURE: 1320400 -389.411 -126.244 141.959 -211.457 -383.999 73.6443 130.389 22.4457 -183.263 PRESSAVG: 1320400 14.09 -6.44822 1.42086 -6.44827 -46.4467 -0.257426 1.42085 -0.257487 58.7302 GPRESSAVG: 1320400 13.9641 -5.84086 -0.0760681 -6.17349 -46.1377 -0.174431 1.61652 -0.12945 57.997 TIMING: 1320400 CPU: 3925.19, 0.00303717/step Wall: 3925.19, 0.00303717/step, 3.10433 hours remaining, 206.449219 MB of memory in use. ENERGY: 1320400 749.6164 2056.6355 1985.7631 98.2496 -205295.0316 17177.2469 0.0000 0.0000 34251.3625 -148976.1576 299.1257 -183227.5201 -148881.2712 300.0535 -349.5195 -318.8912 557067.2844 8.7912 8.6078 PRESSURE: 1320600 146.74 10.9322 78.0321 10.9336 161.831 -101.975 78.0313 -101.974 -35.175 GPRESSURE: 1320600 186.211 -30.2717 82.4587 -72.766 192.42 -39.0223 101.829 -120.123 3.33436 PRESSAVG: 1320600 -14.8565 -2.18358 18.9672 -2.18371 -27.9748 -40.7047 18.9671 -40.7046 20.269 GPRESSAVG: 1320600 -15.4315 -4.19061 20.0631 -2.66875 -27.6811 -40.8601 17.6508 -41.3878 20.8845 TIMING: 1320600 CPU: 3925.79, 0.00299042/step Wall: 3925.79, 0.00299042/step, 3.05637 hours remaining, 206.449219 MB of memory in use. ENERGY: 1320600 751.5873 2086.0770 1967.0049 128.5029 -206136.8849 17852.1159 0.0000 0.0000 34257.1634 -149094.4334 299.1763 -183351.5968 -149000.0253 299.5574 91.1320 127.3217 556516.2638 -7.5208 -7.4094 PRESSURE: 1320800 34.35 -47.4815 -111.462 -47.4823 -185.232 -132.397 -111.462 -132.397 13.7203 GPRESSURE: 1320800 66.8305 -26.0663 -88.2963 -111.556 -147.526 -69.2235 -168.291 -246.629 51.0207 PRESSAVG: 1320800 -10.5185 -30.2488 -18.4978 -30.2488 55.5185 -64.3536 -18.4978 -64.3535 24.1488 GPRESSAVG: 1320800 -10.4391 -32.1551 -19.6556 -27.1496 55.3493 -63.6456 -18.6127 -64.443 24.1725 TIMING: 1320800 CPU: 3926.39, 0.00299017/step Wall: 3926.39, 0.00299017/step, 3.05595 hours remaining, 206.449219 MB of memory in use. ENERGY: 1320800 779.0373 2093.2937 1947.0692 114.7191 -206206.0732 17884.5925 0.0000 0.0000 34295.2877 -149092.0738 299.5093 -183387.3614 -148984.0382 299.2485 -45.7204 -9.8916 557928.3063 23.0496 23.0276 PRESSURE: 1321000 -72.1949 -144.963 -79.7853 -144.964 -159.661 129.15 -79.7855 129.15 -483.836 GPRESSURE: 1321000 -90.4704 -97.9214 -84.7005 -163.114 -119.846 81.9458 -73.3086 119.786 -431.298 PRESSAVG: 1321000 -22.8538 -3.13185 5.33196 -3.13177 5.60271 -33.579 5.33204 -33.579 -19.3413 GPRESSAVG: 1321000 -22.9184 -2.15072 6.73751 -4.09031 5.44473 -34.7611 4.97873 -31.8788 -18.8695 TIMING: 1321000 CPU: 3926.98, 0.00298326/step Wall: 3926.98, 0.00298326/step, 3.04872 hours remaining, 206.449219 MB of memory in use. ENERGY: 1321000 775.0642 2117.2829 1952.7070 106.5628 -205934.2777 17525.2585 0.0000 0.0000 34136.0794 -149321.3228 298.1189 -183457.4023 -149224.8249 299.0785 -238.5638 -213.8714 557523.1061 -12.1975 -12.1144 PRESSURE: 1321200 32.3617 -119.983 -32.2992 -119.983 309.711 -132.802 -32.3004 -132.802 -30.0848 GPRESSURE: 1321200 137.517 -133.938 15.1063 -72.0108 286.235 -146.349 -10.2477 -140.676 -13.0304 PRESSAVG: 1321200 35.9182 16.629 14.6616 16.6289 -11.9237 36.6074 14.6617 36.6075 -13.47 GPRESSAVG: 1321200 35.8315 17.7044 12.4052 16.5056 -12.5907 36.2225 16.6148 35.4012 -12.8079 TIMING: 1321200 CPU: 3927.58, 0.00300462/step Wall: 3927.58, 0.00300462/step, 3.07038 hours remaining, 206.449219 MB of memory in use. ENERGY: 1321200 705.3428 2106.4369 1964.1271 107.1892 -206548.3203 18043.3808 0.0000 0.0000 34306.3193 -149315.5241 299.6056 -183621.8434 -149224.6949 299.3793 103.9960 136.9072 557776.1285 3.5082 3.4776 PRESSURE: 1321400 -71.3846 -63.8768 74.4822 -63.8769 -87.839 -6.43908 74.4823 -6.43872 188.618 GPRESSURE: 1321400 -63.4809 -95.7289 64.8906 -92.3693 -5.44155 -41.8421 23.2453 -30.2625 198.198 PRESSAVG: 1321400 -38.3817 -54.9828 26.7448 -54.9827 9.93237 -4.63982 26.7448 -4.63983 45.3508 GPRESSAVG: 1321400 -38.4166 -54.4267 27.366 -55.5721 10.5167 -3.37503 25.1883 -4.8932 44.3403 TIMING: 1321400 CPU: 3928.18, 0.00297854/step Wall: 3928.18, 0.00297854/step, 3.04357 hours remaining, 206.449219 MB of memory in use. ENERGY: 1321400 732.9166 2135.8552 1950.3876 114.2639 -206292.9741 17946.8821 0.0000 0.0000 34001.9897 -149410.6790 296.9478 -183412.6687 -149317.4729 298.4297 9.7980 43.0918 557675.5504 5.6338 5.4801 PRESSURE: 1321600 -11.2672 16.9476 -28.1024 16.9469 -51.4928 -90.4292 -28.1023 -90.4281 -34.0312 GPRESSURE: 1321600 -36.2657 -38.4067 -45.466 -30.7328 -41.2159 -59.5612 31.8875 -188.421 64.7543 PRESSAVG: 1321600 6.84262 -51.4587 30.3675 -51.4587 -18.8334 -13.5277 30.3675 -13.5276 -16.1192 GPRESSAVG: 1321600 7.29958 -51.7841 30.8749 -52.3857 -19.4741 -14.0001 30.092 -12.6583 -15.3897 TIMING: 1321600 CPU: 3928.78, 0.00298502/step Wall: 3928.78, 0.00298502/step, 3.05003 hours remaining, 206.449219 MB of memory in use. ENERGY: 1321600 774.1259 2099.5468 1967.9101 105.4443 -206127.9467 18067.8629 0.0000 0.0000 33927.0914 -149185.9653 296.2937 -183113.0567 -149090.7029 298.7114 -32.2637 -4.2424 558836.9200 -9.3700 -9.1881 PRESSURE: 1321800 -123.718 -35.5359 45.6996 -35.5358 225.566 155.24 45.6973 155.241 21.2934 GPRESSURE: 1321800 -76.7089 -59.8802 43.5322 -25.194 277.329 88.3043 20.8173 240.216 15.1938 PRESSAVG: 1321800 -65.1823 -57.6547 -26.6338 -57.6547 -6.67363 42.1176 -26.6338 42.1177 47.4252 GPRESSAVG: 1321800 -64.6354 -56.3522 -28.6451 -57.727 -6.87133 41.5611 -26.2265 40.5211 46.8897 TIMING: 1321800 CPU: 3929.37, 0.00298894/step Wall: 3929.37, 0.00298894/step, 3.05387 hours remaining, 206.449219 MB of memory in use. ENERGY: 1321800 744.1820 2111.9906 1961.3773 119.9027 -206399.2762 18082.4567 0.0000 0.0000 34313.6721 -149065.6948 299.6698 -183379.3668 -148976.1792 298.7381 41.0470 71.9379 558605.9326 -8.1436 -8.2057 PRESSURE: 1322000 78.4944 59.1578 -9.1994 59.1584 253.175 11.7075 -9.19889 11.7075 -201.89 GPRESSURE: 1322000 150.489 166.014 29.1814 38.9846 237.642 48.7026 25.5993 -42.2059 -168.219 PRESSAVG: 1322000 -5.31377 -41.6133 -9.95246 -41.6134 19.7179 5.83368 -9.95242 5.83371 -2.22233 GPRESSAVG: 1322000 -5.78981 -42.7948 -7.84667 -40.5884 21.0936 3.65208 -11.6348 6.48915 -2.96779 TIMING: 1322000 CPU: 3929.97, 0.00299028/step Wall: 3929.97, 0.00299028/step, 3.05507 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: 1322000 748.1594 2132.2557 1937.2516 122.6993 -206437.3838 18034.8003 0.0000 0.0000 34088.9025 -149373.3150 297.7069 -183462.2175 -149280.9831 299.5851 43.2599 73.3039 558208.3729 4.0606 4.1120 PRESSURE: 1322200 -419.782 -68.5738 -111.525 -68.5736 94.347 53.9685 -111.526 53.9699 -27.8894 GPRESSURE: 1322200 -372.124 -69.1893 -190.531 -169.113 108.145 -6.18581 -55.3988 99.3176 -0.100141 PRESSAVG: 1322200 5.89817 1.31785 46.5945 1.3179 8.54014 41.7174 46.5944 41.7173 15.105 GPRESSAVG: 1322200 5.09267 2.18035 47.3466 0.457455 8.06507 43.7666 45.5729 42.7367 15.9162 TIMING: 1322200 CPU: 3930.57, 0.00296683/step Wall: 3930.57, 0.00296683/step, 3.03095 hours remaining, 206.449219 MB of memory in use. ENERGY: 1322200 772.3759 2055.1307 1983.2539 105.6836 -206115.5624 17812.2992 0.0000 0.0000 34007.9003 -149378.9189 296.9995 -183386.8192 -149281.8019 298.0191 -117.7747 -88.0264 558239.3833 9.8478 9.6913 PRESSURE: 1322400 230.489 -16.771 51.2637 -16.771 266.371 -27.8886 51.2639 -27.8889 158.112 GPRESSURE: 1322400 261.57 -42.2549 110.173 56.6849 294.309 -57.6871 22.3698 -13.3678 200.969 PRESSAVG: 1322400 -10.2677 31.9012 -40.6912 31.9011 -5.02641 20.9283 -40.6912 20.9283 12.5839 GPRESSAVG: 1322400 -8.73072 29.4694 -40.8335 33.5688 -5.88039 21.6367 -39.4518 20.6768 11.7367 TIMING: 1322400 CPU: 3931.16, 0.0029685/step Wall: 3931.16, 0.0029685/step, 3.03249 hours remaining, 206.449219 MB of memory in use. ENERGY: 1322400 715.2436 2087.3109 1962.4655 108.1246 -206477.2325 17975.7735 0.0000 0.0000 34332.9018 -149295.4126 299.8378 -183628.3144 -149201.2812 298.3004 218.3240 252.2825 555224.9285 -0.9034 -0.9581 PRESSURE: 1322600 -139.909 48.1994 -85.6917 48.1985 6.12419 -189.806 -85.6922 -189.804 -210.575 GPRESSURE: 1322600 -87.7044 26.0947 -91.846 69.0265 25.6478 -213.914 -99.3935 -124.326 -184.557 PRESSAVG: 1322600 -18.0909 14.8617 49.9562 14.8617 32.7962 -32.2433 49.9562 -32.2433 -9.77369 GPRESSAVG: 1322600 -18.6449 17.7873 49.6261 12.8262 32.6838 -33.1056 49.4149 -33.2979 -9.03812 TIMING: 1322600 CPU: 3931.75, 0.00296995/step Wall: 3931.75, 0.00296995/step, 3.03381 hours remaining, 206.449219 MB of memory in use. ENERGY: 1322600 738.3427 2065.1819 1974.9875 110.5403 -205924.2497 17548.7009 0.0000 0.0000 34242.3478 -149244.1486 299.0469 -183486.4964 -149143.5402 299.4473 -114.7867 -82.2046 557133.8600 1.6439 1.6670 PRESSURE: 1322800 -174.938 -215.672 -114.647 -215.672 -32.2078 76.3757 -114.648 76.3755 -86.9965 GPRESSURE: 1322800 -160.201 -123.847 -198.233 -249.805 -9.0354 26.0728 -84.6853 155.25 -32.3336 PRESSAVG: 1322800 17.3856 -0.971722 -15.74 -0.97174 50.9683 -38.9077 -15.7401 -38.9077 -49.4033 GPRESSAVG: 1322800 16.0958 -2.03234 -16.4513 0.195979 52.0739 -38.8505 -16.0336 -36.3235 -48.9455 TIMING: 1322800 CPU: 3932.35, 0.00300061/step Wall: 3932.35, 0.00300061/step, 3.06496 hours remaining, 206.449219 MB of memory in use. ENERGY: 1322800 763.8417 2108.6547 1942.1785 116.5160 -206070.2337 17665.1944 0.0000 0.0000 34168.3605 -149305.4879 298.4008 -183473.8484 -149209.3018 299.0685 -98.0474 -67.1901 557555.1600 6.3169 6.4081 PRESSURE: 1323000 -109.619 -128.243 59.5789 -128.242 34.5851 111.381 59.577 111.38 -226.912 GPRESSURE: 1323000 -109.937 -127.506 81.3079 -73.9273 58.7793 128.672 79.7052 167.149 -167.46 PRESSAVG: 1323000 -85.6184 -6.42305 20.3642 -6.42315 19.6343 -0.210881 20.3643 -0.210932 1.74377 GPRESSAVG: 1323000 -84.2325 -6.80467 20.188 -6.14684 18.091 -0.839889 23.2725 -1.4259 2.21132 TIMING: 1323000 CPU: 3932.96, 0.00301926/step Wall: 3932.96, 0.00301926/step, 3.08384 hours remaining, 206.449219 MB of memory in use. ENERGY: 1323000 738.7486 2114.7463 1947.9444 115.5109 -206264.5650 17854.3478 0.0000 0.0000 34170.9277 -149322.3393 298.4232 -183493.2670 -149223.3820 298.7350 -100.6484 -72.8725 558779.0923 -21.4135 -21.3101 PRESSURE: 1323200 -109.603 6.7615 158.466 6.76248 -75.2746 47.8877 158.466 47.8877 19.0894 GPRESSURE: 1323200 -60.3514 32.0036 203.11 6.98689 -68.6121 27.9372 119.821 61.6666 69.6928 PRESSAVG: 1323200 -26.7778 41.8576 49.3444 41.8576 17.2622 -22.6826 49.3444 -22.6826 14.8036 GPRESSAVG: 1323200 -27.1547 41.0941 48.654 43.0928 17.5086 -22.0914 49.1417 -24.3799 15.0562 TIMING: 1323200 CPU: 3933.56, 0.00303578/step Wall: 3933.56, 0.00303578/step, 3.10055 hours remaining, 206.449219 MB of memory in use. ENERGY: 1323200 772.3981 2117.6758 1963.9432 104.6260 -206252.0060 17847.9453 0.0000 0.0000 34106.9408 -149338.4767 297.8644 -183445.4175 -149244.4608 298.4878 -55.2628 -19.7569 558188.3554 1.7627 1.8034 PRESSURE: 1323400 90.8209 -25.2456 116.844 -25.2449 8.64264 100.155 116.845 100.155 128.09 GPRESSURE: 1323400 179.579 -96.847 147.408 -4.84869 37.937 81.5066 175.826 127.552 102.845 PRESSAVG: 1323400 8.84325 38.7166 24.3844 38.7165 -28.1041 19.2717 24.3844 19.2715 46.9932 GPRESSAVG: 1323400 9.2946 41.2924 25.8266 37.0833 -28.2133 18.7019 23.6641 21.0459 47.1881 TIMING: 1323400 CPU: 3934.17, 0.00302688/step Wall: 3934.17, 0.00302688/step, 3.09129 hours remaining, 206.449219 MB of memory in use. ENERGY: 1323400 719.6448 2087.6625 1939.6603 101.2519 -206278.0442 17822.8061 0.0000 0.0000 34294.6436 -149312.3750 299.5037 -183607.0186 -149205.6006 298.4010 75.8512 106.7870 556202.8767 9.2441 9.4232 PRESSURE: 1323600 -165.77 22.0201 89.8249 22.02 -162.584 -22.6747 89.824 -22.6749 -145.968 GPRESSURE: 1323600 -136.354 -62.5565 81.5136 19.7069 -154.61 39.4456 66.7774 -59.8322 -95.9336 PRESSAVG: 1323600 16.3869 23.3238 79.4594 23.3238 -51.9431 38.3462 79.4594 38.3462 -1.79629 GPRESSAVG: 1323600 16.6613 21.1364 81.0841 22.8615 -52.0793 39.3548 80.1909 37.5927 -2.10691 TIMING: 1323600 CPU: 3934.78, 0.00303956/step Wall: 3934.78, 0.00303956/step, 3.10407 hours remaining, 206.449219 MB of memory in use. ENERGY: 1323600 761.7420 2078.3087 1968.9140 102.6001 -205988.2962 17556.5841 0.0000 0.0000 34290.9420 -149229.2054 299.4713 -183520.1474 -149134.3380 299.4121 -158.1076 -128.9659 558969.8131 -12.4508 -12.5083 PRESSURE: 1323800 -67.4757 -129.578 73.7984 -129.577 256.616 -212.715 73.7985 -212.715 -114.73 GPRESSURE: 1323800 -36.8186 -122.642 57.7877 -129.414 271.866 -162.217 117.796 -186.498 -55.325 PRESSAVG: 1323800 12.2563 -59.7989 4.94855 -59.7989 20.1677 -34.6132 4.94859 -34.6132 7.03272 GPRESSAVG: 1323800 11.3596 -59.2319 4.1986 -59.0731 20.1649 -34.3036 4.77707 -33.7667 7.97437 TIMING: 1323800 CPU: 3935.38, 0.00303118/step Wall: 3935.38, 0.00303118/step, 3.09534 hours remaining, 206.449219 MB of memory in use. ENERGY: 1323800 749.1721 2087.2342 1963.5155 114.3048 -206210.0859 17906.4480 0.0000 0.0000 34041.0272 -149348.3843 297.2888 -183389.4114 -149255.4713 298.9540 24.8034 59.9076 557091.0327 13.1522 13.1663 PRESSURE: 1324000 153.075 -36.9897 -19.2937 -36.9914 -201.781 -100.397 -19.2934 -100.396 -1.54653 GPRESSURE: 1324000 91.0578 -12.4547 -24.2009 -99.0759 -86.618 -180.005 36.8681 -72.0094 48.1421 PRESSAVG: 1324000 72.3867 17.9336 -42.0474 17.9336 -46.0068 -33.5781 -42.0475 -33.5782 5.66959 GPRESSAVG: 1324000 72.1463 18.148 -43.3827 17.9752 -45.3922 -35.7964 -42.9419 -33.9971 5.07229 TIMING: 1324000 CPU: 3935.99, 0.00301152/step Wall: 3935.99, 0.00301152/step, 3.07509 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: 1324000 758.3875 2061.0151 1972.4643 113.1775 -206666.8587 18005.7521 0.0000 0.0000 34438.3849 -149317.6771 300.7590 -183756.0621 -149217.6051 299.5918 -16.7509 17.5273 556802.4836 10.6832 10.6088 PRESSURE: 1324200 88.7603 -64.9517 28.769 -64.9521 178.918 36.4687 28.77 36.4681 47.7271 GPRESSURE: 1324200 108.721 -24.8598 4.43659 -67.7123 185.413 76.9815 27.3278 3.25166 119.421 PRESSAVG: 1324200 -7.60786 -12.8244 6.94062 -12.8244 45.0739 -4.34263 6.94046 -4.34273 -4.39951 GPRESSAVG: 1324200 -8.27932 -13.5994 6.34208 -12.3584 45.729 -2.71076 6.57024 -6.07452 -4.22998 TIMING: 1324200 CPU: 3936.59, 0.00302783/step Wall: 3936.59, 0.00302783/step, 3.09158 hours remaining, 206.449219 MB of memory in use. ENERGY: 1324200 754.4765 2089.4481 1953.8013 109.2481 -206717.3440 18099.6448 0.0000 0.0000 34234.4893 -149476.2360 298.9783 -183710.7253 -149385.0451 298.4574 105.1351 137.8518 556181.8431 11.0222 11.0732 LDB: ============= START OF LOAD BALANCING ============== 3940.02 LDB: ============== END OF LOAD BALANCING =============== 3940.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3940.02 LDB: ============= START OF LOAD BALANCING ============== 3940.32 LDB: Largest compute 4821 load 0.032231 is 27.3% of average load 0.117945 LDB: Average compute 0.001719 is 1.5% of average load 0.117945 LDB: TIME 3940.32 LOAD: AVG 0.117945 MAX 0.194617 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.477 MB LDB: TIME 3940.32 LOAD: AVG 0.117945 MAX 0.194617 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: TIME 3940.32 LOAD: AVG 0.117945 MAX 0.194617 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3940.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3940.33 PRESSURE: 1324400 118.044 -36.1228 123.191 -36.1235 99.9394 100.753 123.19 100.752 -63.6062 GPRESSURE: 1324400 158.257 15.8034 97.0107 -18.0714 125.37 118.374 150.016 96.5401 -24.1219 PRESSAVG: 1324400 25.2251 -41.1293 -16.3115 -41.1293 -10.8452 17.0309 -16.3116 17.0308 -53.4542 GPRESSAVG: 1324400 25.694 -40.9647 -15.8993 -41.1132 -11.0085 15.8118 -15.8136 18.1823 -54.1217 TIMING: 1324400 CPU: 3937.2, 0.00303372/step Wall: 3937.2, 0.00303372/step, 3.09743 hours remaining, 205.222656 MB of memory in use. ENERGY: 1324400 752.6368 2147.2200 1944.0761 110.8485 -206647.4206 18031.2168 0.0000 0.0000 34235.6335 -149425.7889 298.9883 -183661.4224 -149331.6813 298.8202 51.4590 86.5020 557144.4605 -13.0248 -13.1454 PRESSURE: 1324600 -183.856 54.6881 100.546 54.6884 45.8383 25.9793 100.545 25.98 16.6073 GPRESSURE: 1324600 -144.263 50.4223 75.9504 86.9023 113.499 6.33428 128.113 24.9609 4.55147 PRESSAVG: 1324600 -43.5757 -13.3605 -20.2672 -13.3606 -42.1536 19.8219 -20.2671 19.822 37.3006 GPRESSAVG: 1324600 -43.3134 -12.1574 -20.1642 -14.1637 -42.55 20.4508 -20.3996 18.6848 37.6994 TIMING: 1324600 CPU: 3937.8, 0.00299867/step Wall: 3937.8, 0.00299866/step, 3.06147 hours remaining, 205.222656 MB of memory in use. ENERGY: 1324600 754.3374 2137.8786 1975.3533 105.8735 -206335.8051 17771.6005 0.0000 0.0000 34147.8311 -149442.9307 298.2215 -183590.7619 -149335.4952 298.8792 -40.4701 -8.7376 558246.6929 -16.1429 -16.0547 PRESSURE: 1324800 29.4486 25.6906 -67.9639 25.6914 -184.809 12.0376 -67.9621 12.0369 90.6978 GPRESSURE: 1324800 76.7826 36.6734 -7.96972 22.6145 -205.632 -28.1179 -166.37 -5.06658 141.079 PRESSAVG: 1324800 -16.8788 -13.3712 -40.9254 -13.3712 -1.99775 26.5271 -40.9254 26.527 32.9768 GPRESSAVG: 1324800 -17.9881 -16.1904 -39.2631 -11.4475 -1.57294 26.0039 -41.8125 27.9753 34.109 TIMING: 1324800 CPU: 3938.4, 0.00298337/step Wall: 3938.4, 0.00298337/step, 3.04569 hours remaining, 205.222656 MB of memory in use. ENERGY: 1324800 746.2150 2127.6298 1948.6640 121.9580 -206269.3172 17892.9638 0.0000 0.0000 34064.6466 -149367.2400 297.4950 -183431.8867 -149267.0905 298.7590 -21.5542 4.0765 559547.4576 4.7001 4.8493 PRESSURE: 1325000 112.081 -10.9211 58.6101 -10.9193 -6.70414 -93.4006 58.6096 -93.3992 210.797 GPRESSURE: 1325000 150.654 -18.8429 77.4434 -19.5863 40.5378 -91.9275 61.6233 -68.9458 217.713 PRESSAVG: 1325000 -23.2326 27.1369 -21.0162 27.1369 34.5605 33.1264 -21.0163 33.1266 -41.1447 GPRESSAVG: 1325000 -22.7121 31.2239 -20.5098 24.3185 34.5925 32.5425 -19.5544 34.5937 -41.6589 TIMING: 1325000 CPU: 3938.99, 0.0029959/step Wall: 3938.99, 0.0029959/step, 3.05831 hours remaining, 205.222656 MB of memory in use. ENERGY: 1325000 744.3792 2119.8217 1937.3344 119.0548 -206554.2194 18038.0090 0.0000 0.0000 34143.0723 -149452.5480 298.1799 -183595.6203 -149357.6188 298.4500 105.3911 136.3015 558420.5560 -9.9389 -9.9262 PRESSURE: 1325200 409.946 75.1599 -7.46397 75.16 -70.9853 -5.63555 -7.46318 -5.63609 -48.4174 GPRESSURE: 1325200 405.272 65.1341 8.33652 57.6356 -22.6813 -108.587 38.6046 34.2724 -0.892444 PRESSAVG: 1325200 39.8666 -24.0798 -44.0622 -24.0798 -72.1941 2.77353 -44.0623 2.77371 74.8323 GPRESSAVG: 1325200 39.8953 -24.7099 -44.5335 -22.4211 -72.8369 3.18721 -45.0727 2.12586 75.053 TIMING: 1325200 CPU: 3939.6, 0.00300506/step Wall: 3939.6, 0.00300506/step, 3.06749 hours remaining, 205.222656 MB of memory in use. ENERGY: 1325200 734.4101 2114.4211 1942.1880 118.7622 -206732.7062 18172.1397 0.0000 0.0000 34255.3143 -149395.4706 299.1602 -183650.7850 -149295.1616 298.2047 96.8476 127.2329 559151.1293 14.1683 14.0372 PRESSURE: 1325400 -248.284 49.9613 32.1596 49.9605 121.573 -80.3446 32.1601 -80.345 84.078 GPRESSURE: 1325400 -166.283 83.3353 -20.5528 45.869 111.403 -73.187 -43.831 50.6429 107.569 PRESSAVG: 1325400 42.6979 -4.51142 1.04297 -4.51132 -67.9054 -8.30761 1.04295 -8.30759 62.4898 GPRESSAVG: 1325400 42.6966 -5.34051 0.473998 -4.53764 -67.755 -6.8371 1.43729 -8.62758 62.3316 TIMING: 1325400 CPU: 3940.19, 0.00299209/step Wall: 3940.19, 0.00299209/step, 3.05409 hours remaining, 205.222656 MB of memory in use. ENERGY: 1325400 790.7415 2111.3362 1951.9847 109.4616 -206414.5752 17899.5470 0.0000 0.0000 34163.7159 -149387.7881 298.3602 -183551.5040 -149287.3255 298.7532 -14.2109 17.5632 558800.3482 12.4274 12.4244 PRESSURE: 1325600 -135.661 13.8836 54.1335 13.8828 -265.121 26.6899 54.1347 26.6898 41.4109 GPRESSURE: 1325600 -85.3519 13.4509 81.9203 21.7393 -241.218 60.622 118.455 13.687 50.9321 PRESSAVG: 1325600 -50.2971 27.0432 5.77714 27.0432 -11.6172 33.9697 5.77714 33.9696 61.1502 GPRESSAVG: 1325600 -49.3903 27.7187 5.34199 26.2092 -12.0291 34.0967 5.49516 33.6316 60.7744 TIMING: 1325600 CPU: 3940.79, 0.00297986/step Wall: 3940.79, 0.00297986/step, 3.04145 hours remaining, 205.222656 MB of memory in use. ENERGY: 1325600 765.9496 2102.3737 1930.5326 130.0393 -205969.3035 17609.7269 0.0000 0.0000 34191.3009 -149239.3804 298.6011 -183430.6813 -149145.2057 298.8140 -119.7903 -91.8793 558652.5101 -0.2547 -0.2150 PRESSURE: 1325800 -157.486 196.446 162.879 196.446 -17.6067 188.783 162.879 188.781 94.1036 GPRESSURE: 1325800 -121.8 158.969 127.355 218.338 -31.0874 188.064 203.022 237.94 173.732 PRESSAVG: 1325800 -18.7543 48.174 7.26087 48.1741 49.357 45.1572 7.26088 45.1572 -13.5209 GPRESSAVG: 1325800 -20.2652 47.9487 9.47633 49.1772 50.4496 44.6673 6.89907 45.8211 -13.0081 TIMING: 1325800 CPU: 3941.38, 0.00296474/step Wall: 3941.38, 0.00296474/step, 3.02585 hours remaining, 205.222656 MB of memory in use. ENERGY: 1325800 742.2783 2108.6542 1962.7854 100.8339 -206064.3913 17763.2173 0.0000 0.0000 34113.7402 -149272.8820 297.9238 -183386.6221 -149176.4072 299.2311 -26.9963 6.9481 559116.8551 5.6939 5.7254 PRESSURE: 1326000 175.432 17.5048 12.4692 17.5053 57.4038 1.36511 12.4682 1.36561 -372.306 GPRESSURE: 1326000 201.636 7.46272 29.4775 51.7882 34.3121 -96.81 -69.1878 55.0944 -273.397 PRESSAVG: 1326000 0.821838 51.9817 36.0013 51.9817 39.5919 33.728 36.0013 33.7279 -57.0108 GPRESSAVG: 1326000 1.06126 50.2342 35.3259 52.1552 38.9333 32.9547 36.5807 31.8278 -56.2788 TIMING: 1326000 CPU: 3941.98, 0.0029761/step Wall: 3941.98, 0.0029761/step, 3.03727 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: 1326000 743.4596 2101.5099 1945.1782 116.9077 -206402.1410 17853.3409 0.0000 0.0000 34296.1665 -149345.5782 299.5170 -183641.7447 -149259.7396 299.0937 -46.4903 -12.4831 557787.6415 -5.5324 -5.4281 PRESSURE: 1326200 37.8633 79.9784 -42.3409 79.9779 136.656 -28.511 -42.3413 -28.5104 38.3272 GPRESSURE: 1326200 78.8094 40.2988 -11.2977 132.86 192.075 21.8832 -43.6253 -66.5619 44.5136 PRESSAVG: 1326200 -12.0568 16.3865 -0.401954 16.3865 51.5416 -7.39656 -0.402045 -7.39649 -38.8859 GPRESSAVG: 1326200 -10.7809 17.9947 -2.08232 16.1741 51.1757 -5.25018 0.35302 -7.17103 -39.5876 TIMING: 1326200 CPU: 3942.58, 0.00298627/step Wall: 3942.58, 0.00298627/step, 3.04749 hours remaining, 205.222656 MB of memory in use. ENERGY: 1326200 724.6917 2047.7015 1972.9918 93.5437 -206380.4348 17883.8906 0.0000 0.0000 34216.3745 -149441.2411 298.8201 -183657.6156 -149339.8579 298.6255 70.9488 105.1327 557381.6508 0.1996 0.2691 PRESSURE: 1326400 -178.03 -35.6055 -109.855 -35.6058 -113.839 2.8601 -109.854 2.8615 -49.6275 GPRESSURE: 1326400 -169.564 -61.5353 -35.6624 -91.4908 -84.2393 21.0285 -126.84 47.394 -1.11197 PRESSAVG: 1326400 -75.6077 25.8223 6.81001 25.8223 33.5253 -60.8682 6.81006 -60.8682 29.7248 GPRESSAVG: 1326400 -76.8582 25.1751 8.34968 24.6994 33.1789 -62.7635 6.34756 -59.1525 30.6938 TIMING: 1326400 CPU: 3943.17, 0.00298423/step Wall: 3943.17, 0.00298423/step, 3.04524 hours remaining, 205.222656 MB of memory in use. ENERGY: 1326400 713.2754 2096.8439 1950.3395 116.1137 -206091.1636 17804.3976 0.0000 0.0000 34117.2718 -149292.9216 297.9546 -183410.1934 -149197.3383 298.3372 -113.8319 -84.9718 558767.4931 -4.1192 -4.3285 PRESSURE: 1326600 -174.213 180.739 116.611 180.74 -203.813 37.4974 116.611 37.498 -55.4808 GPRESSURE: 1326600 -169.319 87.8513 74.4829 178.614 -169.119 108.645 161.527 4.86599 -10.2115 PRESSAVG: 1326600 -39.9313 24.9061 17.6679 24.9061 -7.13072 -12.9298 17.6679 -12.9298 69.0755 GPRESSAVG: 1326600 -39.4425 25.5506 14.6377 25.1242 -6.38315 -14.5859 19.1622 -13.1581 68.0893 TIMING: 1326600 CPU: 3943.76, 0.0029594/step Wall: 3943.76, 0.0029594/step, 3.01974 hours remaining, 205.222656 MB of memory in use. ENERGY: 1326600 752.5876 2089.9506 1963.0923 109.5655 -206049.9271 17833.5122 0.0000 0.0000 34148.3519 -149152.8670 298.2261 -183301.2190 -149063.7814 299.2847 -144.5025 -116.2165 558563.5017 7.3378 7.4212 PRESSURE: 1326800 203.454 142.089 -59.5198 142.089 -154.368 -101.516 -59.519 -101.517 -85.6836 GPRESSURE: 1326800 244.39 157.742 -48.947 85.9312 -110.752 -73.0625 -131.025 -24.832 -73.063 PRESSAVG: 1326800 -2.52808 46.1582 2.12825 46.1582 -28.8339 15.1448 2.12831 15.1447 22.9937 GPRESSAVG: 1326800 -2.69081 45.4493 3.14279 47.1615 -28.0429 16.9358 3.23648 15.2499 22.5763 TIMING: 1326800 CPU: 3944.36, 0.00296086/step Wall: 3944.36, 0.00296086/step, 3.02106 hours remaining, 205.222656 MB of memory in use. ENERGY: 1326800 746.1522 2124.3009 1959.3057 115.2690 -206029.0937 17819.1916 0.0000 0.0000 34153.3038 -149111.5704 298.2693 -183264.8742 -149012.0851 299.2372 -12.1992 20.1918 556893.4192 -2.7894 -2.7191 PRESSURE: 1327000 155.139 123.679 48.7984 123.678 -16.2955 -160.961 48.7974 -160.96 192.308 GPRESSURE: 1327000 155.612 120.772 -84.9606 51.541 36.1915 -149.209 41.0467 -195.048 234.507 PRESSAVG: 1327000 -34.7993 -13.0745 -4.17605 -13.0744 24.3613 -3.47431 -4.17605 -3.47435 17.0945 GPRESSAVG: 1327000 -35.3172 -13.3432 -5.18795 -12.9158 23.8195 -3.30469 -6.47442 -7.00261 18.3177 TIMING: 1327000 CPU: 3944.95, 0.00295022/step Wall: 3944.95, 0.00295022/step, 3.01005 hours remaining, 205.222656 MB of memory in use. ENERGY: 1327000 719.9610 2095.4785 1935.2980 117.9013 -206187.1310 17898.6794 0.0000 0.0000 34402.1636 -149017.6492 300.4427 -183419.8129 -148918.6714 300.3669 110.3838 142.1034 557377.0234 2.2188 2.2733 PRESSURE: 1327200 -398.704 37.5861 -10.901 37.5843 -303.718 -153.882 -10.8998 -153.882 -332.384 GPRESSURE: 1327200 -436.297 -3.91295 -22.0646 27.6723 -267.203 -105.043 -30.387 -162.119 -241.679 PRESSAVG: 1327200 -11.4934 36.9453 15.9556 36.9454 -7.30576 39.3268 15.9557 39.3268 12.424 GPRESSAVG: 1327200 -10.5739 37.9757 17.2367 35.7991 -8.40483 38.7323 14.7078 41.5589 12.545 TIMING: 1327200 CPU: 3945.54, 0.00298681/step Wall: 3945.54, 0.00298681/step, 3.04721 hours remaining, 205.222656 MB of memory in use. ENERGY: 1327200 743.1529 2096.8573 1960.1929 106.8474 -205619.5529 17234.8648 0.0000 0.0000 34497.4807 -148980.1571 301.2751 -183477.6377 -148882.7538 299.7809 -344.9355 -315.0598 558537.9058 -2.1251 -2.1446 PRESSURE: 1327400 -23.3957 -74.019 56.8439 -74.0186 -23.7173 -40.7007 56.8453 -40.7007 -32.5799 GPRESSURE: 1327400 2.68015 -74.8316 14.9274 -80.4222 45.5622 12.44 106.459 12.5341 -38.0641 PRESSAVG: 1327400 3.68938 -53.971 58.0166 -53.9711 34.6414 -12.0772 58.0165 -12.0772 -32.1809 GPRESSAVG: 1327400 2.60091 -53.7351 56.8118 -52.2311 35.6407 -11.3828 60.7242 -10.5152 -32.7145 TIMING: 1327400 CPU: 3946.14, 0.00300246/step Wall: 3946.14, 0.00300246/step, 3.06301 hours remaining, 205.222656 MB of memory in use. ENERGY: 1327400 752.6364 2067.1889 1965.3388 114.7127 -206094.4112 17677.9061 0.0000 0.0000 34544.3838 -148972.2444 301.6847 -183516.6282 -148872.4643 299.7760 -26.5643 3.3927 557120.2050 2.0500 1.8424 PRESSURE: 1327600 -3.32262 -58.5838 45.4126 -58.583 6.1948 25.136 45.4106 25.1368 155.955 GPRESSURE: 1327600 -13.4053 -157.603 49.9846 14.667 71.8084 10.1995 94.1755 -3.72374 207.121 PRESSAVG: 1327600 11.2978 -38.0922 0.83472 -38.0923 -21.1104 -83.5469 0.834738 -83.5469 38.4222 GPRESSAVG: 1327600 11.8918 -41.8171 2.2457 -38.2254 -21.8021 -85.4899 -1.72972 -85.5276 38.7355 TIMING: 1327600 CPU: 3946.74, 0.00297793/step Wall: 3946.74, 0.00297793/step, 3.03782 hours remaining, 205.222656 MB of memory in use. ENERGY: 1327600 756.3311 2064.2968 1929.2661 111.8787 -205979.7083 17911.1101 0.0000 0.0000 34355.1816 -148851.6438 300.0323 -183206.8254 -148760.4636 300.4372 52.9423 88.5081 557180.2401 9.5365 9.6084 PRESSURE: 1327800 109.58 -84.1188 -111.357 -84.1185 113.893 -94.9805 -111.356 -94.9802 102.575 GPRESSURE: 1327800 154.829 45.2821 -71.4086 -113.714 128.913 -179.014 -98.3944 -58.7778 124.304 PRESSAVG: 1327800 -0.63884 32.079 -10.9954 32.0791 -2.6568 -49.1339 -10.9955 -49.1339 18.6888 GPRESSAVG: 1327800 -0.480715 34.3352 -12.5654 31.187 -3.0873 -48.8216 -10.7526 -48.9322 19.4417 TIMING: 1327800 CPU: 3947.33, 0.00295022/step Wall: 3947.33, 0.00295022/step, 3.00939 hours remaining, 205.222656 MB of memory in use. ENERGY: 1327800 733.2515 2046.2335 1972.4115 117.7160 -206197.7581 17928.4897 0.0000 0.0000 34337.3562 -149062.2997 299.8767 -183399.6559 -148963.9379 299.9339 108.6826 136.0152 557879.2597 5.1311 5.2912 PRESSURE: 1328000 72.2216 141.777 239.415 141.777 -46.4263 1.15019 239.416 1.15053 157.304 GPRESSURE: 1328000 102.074 243.08 213.161 34.0617 -88.8144 60.9638 254.953 -32.5638 270.927 PRESSAVG: 1328000 -9.10422 -18.449 -19.1203 -18.449 -11.3047 32.9146 -19.1204 32.9146 -13.4415 GPRESSAVG: 1328000 -8.88054 -18.5001 -17.5779 -17.2111 -12.1069 34.0944 -18.8499 33.7942 -13.4405 TIMING: 1328000 CPU: 3947.93, 0.0029839/step Wall: 3947.93, 0.0029839/step, 3.04357 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: 1328000 768.9439 2091.9992 1955.7315 102.4226 -206564.9940 18158.4328 0.0000 0.0000 34311.4323 -149176.0317 299.6503 -183487.4639 -149075.1509 300.0518 61.0331 94.7291 557794.9661 -11.2835 -11.4760 PRESSURE: 1328200 -195.609 -63.2988 -141.614 -63.2992 23.3211 98.174 -141.614 98.1749 -25.7673 GPRESSURE: 1328200 -146.216 -92.1732 -174.249 -81.9955 7.67647 193.677 -109.705 144.189 44.0227 PRESSAVG: 1328200 -8.56414 4.72371 9.05627 4.72371 7.97053 -0.094005 9.05622 -0.0939661 50.6804 GPRESSAVG: 1328200 -8.53072 4.17705 8.35316 4.49947 8.36513 -1.20274 10.2267 -0.880967 50.5802 TIMING: 1328200 CPU: 3948.53, 0.00300127/step Wall: 3948.53, 0.00300127/step, 3.06112 hours remaining, 205.222656 MB of memory in use. ENERGY: 1328200 747.4853 2169.0732 1977.1031 101.5247 -206324.8030 17720.7717 0.0000 0.0000 34564.9579 -149043.8872 301.8644 -183608.8450 -148939.8553 299.9682 -66.0184 -31.5056 558356.4575 16.6956 16.8049 LDB: ============= START OF LOAD BALANCING ============== 3951.96 LDB: ============== END OF LOAD BALANCING =============== 3951.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3951.96 LDB: ============= START OF LOAD BALANCING ============== 3952.26 LDB: Largest compute 4821 load 0.031713 is 26.9% of average load 0.118035 LDB: Average compute 0.001722 is 1.5% of average load 0.118035 LDB: TIME 3952.27 LOAD: AVG 0.118035 MAX 0.200875 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.504 MB LDB: TIME 3952.27 LOAD: AVG 0.118035 MAX 0.200875 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: TIME 3952.27 LOAD: AVG 0.118035 MAX 0.200875 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3952.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3952.27 PRESSURE: 1328400 -251.761 154.453 115.636 154.453 12.3277 113.008 115.635 113.008 114.23 GPRESSURE: 1328400 -227.106 155.043 152.074 90.0282 14.0095 59.4645 20.223 152.034 170.875 PRESSAVG: 1328400 24.9418 -46.5351 9.06415 -46.5351 -18.7569 -33.6793 9.06422 -33.6794 -1.07154 GPRESSAVG: 1328400 24.9818 -45.4236 10.4084 -47.6831 -19.3397 -31.4328 7.71694 -35.0471 -0.428167 TIMING: 1328400 CPU: 3949.14, 0.0030854/step Wall: 3949.14, 0.0030854/step, 3.14676 hours remaining, 205.535156 MB of memory in use. ENERGY: 1328400 775.4470 2104.6983 1963.8883 110.3686 -206027.4732 17721.5125 0.0000 0.0000 34345.0574 -149006.5012 299.9439 -183351.5586 -148897.8609 299.9962 -41.7343 -14.0740 556837.0273 1.7045 1.7380 PRESSURE: 1328600 -15.355 69.1282 -15.8658 69.1277 93.4163 -68.3505 -15.8651 -68.352 -122.086 GPRESSURE: 1328600 -16.6299 4.60068 12.1372 113.113 117.095 -15.3219 21.2032 -113.558 -49.8495 PRESSAVG: 1328600 -3.29085 26.8775 31.0794 26.8775 30.1577 2.5175 31.0794 2.51748 -8.71993 GPRESSAVG: 1328600 -3.31044 27.6186 30.4833 26.677 31.5287 0.0892149 30.19 4.40384 -10.5529 TIMING: 1328600 CPU: 3949.75, 0.00302812/step Wall: 3949.75, 0.00302812/step, 3.08818 hours remaining, 205.535156 MB of memory in use. ENERGY: 1328600 728.1823 2145.4504 1936.4326 107.1906 -206251.4179 17901.2154 0.0000 0.0000 34401.6061 -149031.3405 300.4378 -183432.9467 -148941.0780 299.8436 -14.6750 16.8720 557444.2227 6.0490 5.8885 PRESSURE: 1328800 -294.423 -202.145 62.3299 -202.146 -154.43 -81.6862 62.3309 -81.6866 -111.053 GPRESSURE: 1328800 -240.858 -187.124 2.05145 -213.003 -120.964 -86.9624 17.1677 -94.9408 -96.1111 PRESSAVG: 1328800 -27.4004 20.7932 -37.1346 20.7932 9.95751 -15.0028 -37.1346 -15.0029 -36.7238 GPRESSAVG: 1328800 -27.4832 19.9753 -35.9748 20.4141 9.65137 -14.5345 -35.4753 -16.2904 -36.1329 TIMING: 1328800 CPU: 3950.36, 0.00306334/step Wall: 3950.36, 0.00306334/step, 3.12393 hours remaining, 205.535156 MB of memory in use. ENERGY: 1328800 764.2614 2107.4434 1928.9600 113.5492 -205790.6809 17487.9838 0.0000 0.0000 34327.5871 -149060.8959 299.7914 -183388.4831 -148960.6410 299.5980 -186.6354 -152.6442 557901.2353 -18.0556 -17.9882 PRESSURE: 1329000 79.1263 54.3213 -19.9849 54.3217 129.242 91.2016 -19.9848 91.2018 42.4347 GPRESSURE: 1329000 108.165 -8.76119 26.1499 119.465 167.958 5.30487 55.2111 119.349 67.258 PRESSAVG: 1329000 -34.52 -18.2035 17.0948 -18.2035 114.825 12.7558 17.0947 12.7559 -43.4927 GPRESSAVG: 1329000 -34.7578 -19.3106 14.439 -16.2698 115.765 13.458 18.4499 11.5258 -43.9646 TIMING: 1329000 CPU: 3950.97, 0.00303938/step Wall: 3950.97, 0.00303938/step, 3.09933 hours remaining, 205.535156 MB of memory in use. ENERGY: 1329000 744.9731 2078.3221 1934.5670 108.9097 -206017.0442 17753.7989 0.0000 0.0000 34179.1816 -149217.2917 298.4953 -183396.4733 -149126.4988 299.2550 83.6011 114.4604 556842.3826 12.2708 12.3477 PRESSURE: 1329200 -162.433 3.36794 -19.3724 3.36742 -224.259 121.032 -19.3716 121.032 -222.14 GPRESSURE: 1329200 -120.011 2.37952 -21.4368 34.45 -197.474 104.991 6.24361 69.8774 -195.685 PRESSAVG: 1329200 29.4099 48.8786 49.7057 48.8786 37.1212 -8.74442 49.7058 -8.74447 -46.1615 GPRESSAVG: 1329200 29.1856 49.9444 50.4048 47.4964 37.1277 -9.13892 47.9058 -7.32712 -46.1175 TIMING: 1329200 CPU: 3951.57, 0.00299595/step Wall: 3951.57, 0.00299595/step, 3.05487 hours remaining, 205.535156 MB of memory in use. ENERGY: 1329200 750.1913 2088.8145 1955.6489 110.3323 -205658.1991 17389.0514 0.0000 0.0000 34231.7799 -149132.3808 298.9546 -183364.1606 -149034.8331 299.7359 -202.9440 -171.0565 557871.2126 6.7899 6.7319 PRESSURE: 1329400 109.297 150.763 122.835 150.763 55.1387 -36.4693 122.835 -36.4676 -4.58522 GPRESSURE: 1329400 124.999 155.054 78.2759 199.787 60.9623 -59.3202 97.9223 -30.3129 74.6785 PRESSAVG: 1329400 -3.1405 24.4281 -55.7656 24.4281 33.6849 18.1775 -55.7655 18.1776 -18.768 GPRESSAVG: 1329400 -3.16354 25.2704 -56.7867 26.0974 32.5856 19.9876 -53.2251 18.6967 -17.5129 TIMING: 1329400 CPU: 3952.18, 0.00305493/step Wall: 3952.18, 0.00305493/step, 3.11484 hours remaining, 205.535156 MB of memory in use. ENERGY: 1329400 748.1273 2090.2631 1979.1031 118.0861 -206188.4489 17873.9541 0.0000 0.0000 34393.0414 -148985.8738 300.3630 -183378.9152 -148885.6712 299.4021 53.2834 86.8800 556679.0545 3.9254 3.9697 PRESSURE: 1329600 -46.5867 -111.66 -191.955 -111.66 -220.18 -67.8275 -191.954 -67.8273 63.4352 GPRESSURE: 1329600 -3.03965 -143.24 -158.349 -112.336 -173.429 -81.3191 -157.549 -57.8261 65.3424 PRESSAVG: 1329600 33.1374 -31.902 -23.1924 -31.902 -1.22627 11.727 -23.1925 11.7271 18.223 GPRESSAVG: 1329600 33.8553 -32.1668 -19.0471 -33.6657 -1.02475 11.7925 -26.5702 9.94967 16.8462 TIMING: 1329600 CPU: 3952.79, 0.00303064/step Wall: 3952.79, 0.00303064/step, 3.0899 hours remaining, 205.535156 MB of memory in use. ENERGY: 1329600 760.7742 2070.6390 1925.5105 117.2428 -206057.4561 17616.7076 0.0000 0.0000 34437.3988 -149129.1830 300.7504 -183566.5819 -149021.4136 301.1609 -67.7770 -37.0420 555872.8446 16.7114 16.5589 PRESSURE: 1329800 -68.7437 102.584 164.699 102.584 -204.518 155.671 164.698 155.669 82.5704 GPRESSURE: 1329800 -36.4001 78.0273 189.36 91.0872 -118.258 150.221 103.805 143.329 68.4735 PRESSAVG: 1329800 81.6565 -2.69703 -30.3616 -2.69701 -55.9234 -43.9807 -30.3616 -43.9807 -3.13473 GPRESSAVG: 1329800 81.2192 -3.62753 -32.7288 -1.25335 -55.654 -47.9936 -29.4581 -40.1558 -2.65135 TIMING: 1329800 CPU: 3953.39, 0.00300627/step Wall: 3953.39, 0.00300627/step, 3.06489 hours remaining, 205.535156 MB of memory in use. ENERGY: 1329800 768.8301 2080.6902 1948.7459 123.6008 -206192.2016 17804.1545 0.0000 0.0000 34247.3711 -149218.8089 299.0908 -183466.1800 -149117.5172 299.5188 -63.5637 -28.7282 556974.8626 7.5328 7.6380 PRESSURE: 1330000 99.386 -112.493 0.977169 -112.493 104.277 -109.142 0.977936 -109.141 -22.2049 GPRESSURE: 1330000 73.4172 -173.695 -28.1188 21.2286 151.76 -140.576 52.3494 -117.608 44.6381 PRESSAVG: 1330000 1.2311 36.8754 27.5263 36.8755 -46.4605 8.35596 27.5262 8.3559 91.4931 GPRESSAVG: 1330000 2.45044 36.1102 27.1769 37.5195 -47.2458 10.531 29.0143 5.07056 91.3709 TIMING: 1330000 CPU: 3953.99, 0.00299376/step Wall: 3953.99, 0.00299376/step, 3.05197 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 786.6738 2052.0985 1955.1440 104.7147 -206243.7052 18031.8654 0.0000 0.0000 34008.0872 -149305.1215 297.0011 -183313.2088 -149212.5437 299.2166 60.4859 89.9383 558257.4879 15.4212 15.5252 PRESSURE: 1330200 -216.912 68.8178 -149.635 68.8175 -285.706 62.8532 -149.635 62.8545 123.095 GPRESSURE: 1330200 -155.502 59.5827 -35.7711 90.7251 -238.386 52.8909 -168.644 93.3917 105.699 PRESSAVG: 1330200 -1.42663 -22.4969 60.137 -22.4969 -18.312 25.2036 60.1371 25.2035 9.97691 GPRESSAVG: 1330200 -1.09379 -22.0903 60.982 -23.785 -17.637 26.5652 56.3364 24.967 9.70366 TIMING: 1330200 CPU: 3954.59, 0.003011/step Wall: 3954.59, 0.003011/step, 3.06938 hours remaining, 205.535156 MB of memory in use. ENERGY: 1330200 739.3868 2082.0232 1936.4307 102.2019 -206085.1411 17748.6809 0.0000 0.0000 34290.9604 -149185.4572 299.4715 -183476.4176 -149084.2634 299.7051 -126.5077 -96.0631 559659.1268 -3.2539 -3.0091 PRESSURE: 1330400 -111.508 132.622 32.5432 132.622 44.4751 -149.237 32.5424 -149.237 -100.954 GPRESSURE: 1330400 -84.9721 122.29 -9.20384 197.062 112.844 -185.851 22.8014 -111.733 -110.388 PRESSAVG: 1330400 -22.9579 93.5757 -41.4592 93.5758 33.9849 -16.0221 -41.4592 -16.0222 3.24406 GPRESSAVG: 1330400 -22.4698 93.6032 -43.2938 92.3039 33.0047 -17.3485 -37.9648 -15.7997 3.8676 TIMING: 1330400 CPU: 3955.19, 0.00302049/step Wall: 3955.19, 0.00302049/step, 3.07889 hours remaining, 205.535156 MB of memory in use. ENERGY: 1330400 734.5999 2127.7874 1923.9105 109.2021 -206174.4279 17633.3945 0.0000 0.0000 34382.7060 -149262.8276 300.2727 -183645.5336 -149169.4729 299.2598 -55.9957 -27.5053 557716.7699 4.7570 4.8008 PRESSURE: 1330600 -145.806 -175.81 -95.4638 -175.811 -92.8982 63.6076 -95.4644 63.6076 -158.695 GPRESSURE: 1330600 -115.589 -147.2 12.2083 -188.395 -93.6238 92.4676 -128.155 87.1118 -107.536 PRESSAVG: 1330600 -38.9627 43.1762 9.22735 43.1762 23.1528 42.2558 9.22732 42.2559 22.4173 GPRESSAVG: 1330600 -39.2983 43.6452 11.1141 44.1937 24.1634 45.5259 7.3914 42.1169 22.2875 TIMING: 1330600 CPU: 3955.8, 0.00301369/step Wall: 3955.8, 0.00301369/step, 3.07179 hours remaining, 205.535156 MB of memory in use. ENERGY: 1330600 769.0385 2065.0948 1955.6407 118.9819 -206316.3449 17812.6203 0.0000 0.0000 34273.8992 -149321.0694 299.3225 -183594.9686 -149228.1479 298.6147 -132.4664 -105.5829 558458.3598 2.2025 2.3842 PRESSURE: 1330800 91.1629 -149.067 -155.324 -149.068 -201.442 117.615 -155.325 117.616 -416.658 GPRESSURE: 1330800 102.756 -77.8956 -159.691 -102.55 -146.263 84.6471 -150.986 59.2888 -382.772 PRESSAVG: 1330800 -4.34651 20.9209 -40.9141 20.9208 -29.2672 -26.4153 -40.914 -26.4154 -24.5272 GPRESSAVG: 1330800 -5.1887 22.7064 -42.6594 19.1369 -27.8469 -27.9786 -38.3504 -26.1681 -25.1734 TIMING: 1330800 CPU: 3956.39, 0.00298313/step Wall: 3956.39, 0.00298313/step, 3.04047 hours remaining, 205.535156 MB of memory in use. ENERGY: 1330800 774.8053 2100.8671 1918.7331 107.1036 -205784.1816 17611.8611 0.0000 0.0000 34174.2497 -149096.5617 298.4522 -183270.8114 -149004.9499 298.5974 -175.6455 -142.0930 557534.2028 -19.3803 -19.4030 PRESSURE: 1331000 -71.9812 117.008 112.019 117.008 -8.03987 93.8769 112.021 93.8751 238.795 GPRESSURE: 1331000 -75.907 124.959 45.908 89.7073 29.753 88.4247 162.741 123.352 290.168 PRESSAVG: 1331000 -2.20769 -15.7845 25.7011 -15.7845 -8.52163 9.82453 25.7012 9.82453 2.78598 GPRESSAVG: 1331000 -2.74645 -18.3573 25.8415 -15.0019 -9.37723 8.85415 25.1613 9.01214 4.05189 TIMING: 1331000 CPU: 3956.99, 0.00300017/step Wall: 3956.99, 0.00300017/step, 3.05768 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331000 749.0309 2039.0856 1940.2247 122.2571 -206162.6522 17867.6253 0.0000 0.0000 34296.4818 -149147.9468 299.5197 -183444.4286 -149056.8634 299.4588 52.9245 81.3379 556174.6268 -2.6478 -2.6906 PRESSURE: 1331200 121.971 29.2622 57.5329 29.2622 -74.3692 -14.1146 57.5327 -14.1156 26.0458 GPRESSURE: 1331200 143.34 79.3265 52.3659 82.0722 -21.5779 9.79349 -11.3081 -57.6095 56.9306 PRESSAVG: 1331200 10.2114 3.67924 -3.33075 3.67928 -42.7294 5.70909 -3.33079 5.70902 19.7891 GPRESSAVG: 1331200 10.2213 4.83936 -1.14611 3.91437 -41.6459 4.65796 -5.63889 8.50961 19.1016 TIMING: 1331200 CPU: 3957.59, 0.00300306/step Wall: 3957.59, 0.00300306/step, 3.06045 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331200 736.9078 1994.0520 1962.6691 127.4743 -206190.0127 17757.3303 0.0000 0.0000 34234.8588 -149376.7204 298.9815 -183611.5792 -149276.0113 298.7478 24.5493 59.5643 556661.1203 -4.2430 -4.1077 PRESSURE: 1331400 91.7318 103.083 49.8989 103.083 -226.345 129.223 49.8999 129.222 70.9546 GPRESSURE: 1331400 85.5847 57.6664 17.455 126.528 -170.179 121.963 9.63993 109.607 120.132 PRESSAVG: 1331400 48.385 33.4367 17.6214 33.4367 -66.8706 26.7638 17.6214 26.7637 -18.403 GPRESSAVG: 1331400 48.3344 31.8363 15.9435 34.9339 -67.6249 29.0374 18.9817 23.6618 -17.9798 TIMING: 1331400 CPU: 3958.2, 0.00303024/step Wall: 3958.2, 0.00303024/step, 3.08798 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331400 768.2064 2143.9086 1923.1785 122.3365 -206194.7936 17750.9125 0.0000 0.0000 34093.3181 -149392.9330 297.7454 -183486.2511 -149304.1752 298.4556 -21.2197 11.8461 556825.3059 -12.2962 -12.4234 PRESSURE: 1331600 -327.772 37.3592 15.7337 37.3587 -123.578 310.136 15.7336 310.136 -163.718 GPRESSURE: 1331600 -322.303 46.8128 -8.83331 -6.3759 -120.642 213.096 31.3113 413.868 -89.364 PRESSAVG: 1331600 28.0769 24.1402 11.1589 24.1401 -37.5638 -0.99013 11.1589 -0.990153 20.5344 GPRESSAVG: 1331600 29.9836 23.7982 10.8805 24.621 -38.3493 -2.55733 11.5502 0.176668 20.0226 TIMING: 1331600 CPU: 3958.81, 0.00305317/step Wall: 3958.81, 0.00305317/step, 3.11118 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331600 739.9741 2086.9129 1934.3519 101.6641 -205905.6013 17601.8637 0.0000 0.0000 34133.6528 -149307.1818 298.0977 -183440.8346 -149205.2641 298.8585 -205.0225 -177.4365 559373.3901 3.6825 3.8856 PRESSURE: 1331800 -336.905 -66.897 -20.8477 -66.8969 121.238 -82.6792 -20.8468 -82.6807 294.512 GPRESSURE: 1331800 -309.701 -85.8818 27.4866 -60.2167 158.707 -56.1201 -128.451 -32.8397 312.872 PRESSAVG: 1331800 -43.8679 -23.0848 -24.8659 -23.0848 -31.8264 75.7857 -24.8659 75.7857 63.5568 GPRESSAVG: 1331800 -43.9435 -21.3702 -23.0581 -21.5924 -32.5556 76.0287 -26.0354 77.3338 64.6541 TIMING: 1331800 CPU: 3959.42, 0.0030371/step Wall: 3959.42, 0.0030371/step, 3.09464 hours remaining, 205.535156 MB of memory in use. ENERGY: 1331800 747.0723 2059.8305 1936.1406 114.4597 -205873.3777 17626.5299 0.0000 0.0000 34162.4404 -149226.9043 298.3491 -183389.3447 -149136.1270 298.7558 26.2814 53.9592 556025.5264 -4.0458 -3.9483 PRESSURE: 1332000 -136.151 -103.306 135.049 -103.304 -100.051 -77.4117 135.047 -77.4117 -27.0224 GPRESSURE: 1332000 -127.725 -164.82 186.322 -15.8238 -56.8858 -146.459 186.543 -32.2281 9.72056 PRESSAVG: 1332000 9.53378 2.76789 17.7476 2.76791 10.4652 11.5031 17.7477 11.5029 43.2671 GPRESSAVG: 1332000 6.86211 3.15525 16.2453 0.943829 13.7983 12.028 16.4169 9.45824 42.6479 TIMING: 1332000 CPU: 3960.02, 0.00303352/step Wall: 3960.02, 0.00303352/step, 3.09082 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 729.4755 2132.5524 1936.7065 105.5705 -206082.0104 17584.7651 0.0000 0.0000 34381.9183 -149211.0221 300.2658 -183592.9404 -149116.0823 298.6770 -87.7411 -58.2967 556740.8624 21.0887 21.1028 PRESSURE: 1332200 -145.266 35.2022 66.4202 35.2008 -52.7564 171.32 66.4208 171.321 -196.562 GPRESSURE: 1332200 -95.6211 118.152 8.4173 -8.52052 4.47053 242.907 43.8994 173.657 -199.467 PRESSAVG: 1332200 53.0858 5.27493 14.4128 5.27486 -6.50905 12.9817 14.4128 12.9817 2.15639 GPRESSAVG: 1332200 54.9203 5.1065 14.0028 5.44205 -9.03088 13.8948 15.8802 13.7339 2.6899 TIMING: 1332200 CPU: 3960.63, 0.0030517/step Wall: 3960.63, 0.0030517/step, 3.10917 hours remaining, 205.535156 MB of memory in use. ENERGY: 1332200 762.9892 2073.8053 1929.9877 107.8368 -206047.7382 17616.5901 0.0000 0.0000 34191.2436 -149365.2856 298.6006 -183556.5292 -149274.2864 298.6633 -131.5281 -96.8727 557520.3297 16.2444 16.1931 LDB: ============= START OF LOAD BALANCING ============== 3964.07 LDB: ============== END OF LOAD BALANCING =============== 3964.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3964.07 LDB: ============= START OF LOAD BALANCING ============== 3964.37 LDB: Largest compute 4821 load 0.031445 is 26.6% of average load 0.118038 LDB: Average compute 0.001721 is 1.5% of average load 0.118038 LDB: TIME 3964.38 LOAD: AVG 0.118038 MAX 0.199815 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.793 MB LDB: TIME 3964.38 LOAD: AVG 0.118038 MAX 0.199815 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: TIME 3964.38 LOAD: AVG 0.118038 MAX 0.199815 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: ============== END OF LOAD BALANCING =============== 3964.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3964.38 PRESSURE: 1332400 -21.5443 54.6569 -16.9365 54.6578 -87.476 114.801 -16.937 114.801 118.48 GPRESSURE: 1332400 80.0705 18.4024 -38.3917 39.9548 -100.913 135.234 -24.085 22.4343 126.835 PRESSAVG: 1332400 -18.3726 -27.1043 13.3273 -27.1044 -14.3733 -4.2916 13.3273 -4.29166 49.0619 GPRESSAVG: 1332400 -17.1456 -27.1098 12.6053 -27.2798 -14.9939 -3.17857 14.4984 -5.84551 48.3697 TIMING: 1332400 CPU: 3961.25, 0.00309175/step Wall: 3961.25, 0.00309175/step, 3.1498 hours remaining, 206.304688 MB of memory in use. ENERGY: 1332400 770.0689 2121.2753 1943.0715 113.7664 -206139.2291 17688.0685 0.0000 0.0000 34330.2419 -149172.7366 299.8145 -183502.9785 -149079.5466 298.8529 3.1531 35.3309 557183.0436 5.4386 5.4101 PRESSURE: 1332600 -129.606 124.982 -72.2204 124.982 82.4586 -176.184 -72.221 -176.183 56.2163 GPRESSURE: 1332600 -105.579 197.037 -150.859 172.622 144.491 -208.245 -60.5084 -146.783 67.9086 PRESSAVG: 1332600 -24.607 49.0566 -6.45186 49.0567 1.94961 -36.153 -6.45182 -36.153 39.1364 GPRESSAVG: 1332600 -26.5331 48.4027 -4.59874 49.7759 2.7586 -37.4486 -8.93447 -33.3703 39.3257 TIMING: 1332600 CPU: 3961.86, 0.0030352/step Wall: 3961.86, 0.0030352/step, 3.09203 hours remaining, 206.507812 MB of memory in use. ENERGY: 1332600 756.6042 2137.6143 1953.6650 110.6399 -205986.3947 17613.1921 0.0000 0.0000 34340.4110 -149074.2684 299.9034 -183414.6793 -148980.6602 299.9976 3.0229 35.6068 555439.2925 5.4930 5.1837 PRESSURE: 1332800 -90.6179 86.4678 68.2901 86.4679 26.4975 -76.5451 68.2891 -76.5448 50.9179 GPRESSURE: 1332800 -15.4633 22.7624 60.7248 158.701 51.8169 -61.2007 21.2544 -86.5348 53.5485 PRESSAVG: 1332800 -41.4322 50.1327 -91.7206 50.1326 46.6751 -21.6223 -91.7207 -21.6222 0.680254 GPRESSAVG: 1332800 -40.5878 50.0654 -92.6868 49.3562 46.7023 -21.2514 -92.8368 -22.8055 -0.251676 TIMING: 1332800 CPU: 3962.46, 0.00302593/step Wall: 3962.46, 0.00302593/step, 3.08241 hours remaining, 206.507812 MB of memory in use. ENERGY: 1332800 741.2179 2131.3321 1944.6435 111.7876 -206166.5914 17870.4187 0.0000 0.0000 34239.2720 -149127.9196 299.0201 -183367.1916 -149038.6250 300.0566 -4.4009 29.9674 556907.4448 1.9744 1.9543 PRESSURE: 1333000 -263.281 -49.0193 -132.878 -49.0197 -145.394 -16.3208 -132.877 -16.3218 -113.464 GPRESSURE: 1333000 -187.687 -60.7629 -101.545 -71.1427 -119.123 2.0789 -68.1672 -30.8226 -110.552 PRESSAVG: 1333000 -3.97628 -23.0965 -33.7668 -23.0965 18.2804 -16.8718 -33.7668 -16.8718 -19.6973 GPRESSAVG: 1333000 -4.99434 -22.0284 -33.1737 -22.9186 18.0581 -19.5157 -30.438 -14.9925 -18.6961 TIMING: 1333000 CPU: 3963.07, 0.00303009/step Wall: 3963.07, 0.00303009/step, 3.08649 hours remaining, 206.507812 MB of memory in use. ENERGY: 1333000 741.4198 2155.6070 1962.2924 116.8895 -206167.1623 17626.1935 0.0000 0.0000 34439.9155 -149124.8445 300.7723 -183564.7601 -149032.1607 299.6907 -174.0465 -139.1205 557545.7277 -1.7977 -1.8774 PRESSURE: 1333200 -280.217 51.3512 -54.8035 51.3505 -85.109 -132.032 -54.8039 -132.032 -265.026 GPRESSURE: 1333200 -275.383 44.5353 2.21105 23.8544 -52.1701 -164.409 -70.1751 -104.212 -208.505 PRESSAVG: 1333200 4.66399 -13.0047 10.0592 -13.0047 20.6038 3.82236 10.0593 3.82235 -9.93813 GPRESSAVG: 1333200 5.4509 -13.4679 9.85471 -14.0712 20.5466 6.49595 9.14427 1.72078 -10.7892 TIMING: 1333200 CPU: 3963.68, 0.00304503/step Wall: 3963.68, 0.00304503/step, 3.10153 hours remaining, 206.507812 MB of memory in use. ENERGY: 1333200 735.2755 2173.7078 1939.2563 122.7835 -205958.0914 17578.9279 0.0000 0.0000 34312.2959 -149095.8445 299.6578 -183408.1404 -148996.2221 300.1545 -210.1173 -178.6861 557993.7723 5.1099 5.0695 PRESSURE: 1333400 -24.5084 -78.5559 53.9817 -78.5556 -21.0056 -56.3757 53.9806 -56.3761 423.06 GPRESSURE: 1333400 14.1913 -172.631 66.2421 -76.7007 18.0946 -9.58195 79.8309 -68.6987 450.565 PRESSAVG: 1333400 -40.6899 1.00991 12.0375 1.00983 70.9457 -13.8877 12.0376 -13.8878 -61.8639 GPRESSAVG: 1333400 -40.4473 1.88414 12.2913 0.71929 70.7275 -12.9765 10.8191 -13.6657 -61.4538 TIMING: 1333400 CPU: 3964.28, 0.00299981/step Wall: 3964.28, 0.00299981/step, 3.05531 hours remaining, 206.507812 MB of memory in use. ENERGY: 1333400 737.3776 2149.8802 1950.5335 108.8185 -206015.8595 17778.0165 0.0000 0.0000 34320.8631 -148970.3699 299.7326 -183291.2331 -148877.1370 299.6302 125.8487 160.9502 557073.2964 -10.5360 -10.3912 PRESSURE: 1333600 279.194 105.392 39.3822 105.393 460.046 10.8129 39.3817 10.8128 131.295 GPRESSURE: 1333600 337.87 117.122 101.352 22.7053 514.458 34.7415 -45.3061 -38.0725 125.661 PRESSAVG: 1333600 -89.3476 -49.2116 -39.3714 -49.2115 39.1496 -26.4192 -39.3715 -26.4192 54.1111 GPRESSAVG: 1333600 -90.0991 -49.1324 -40.1282 -48.7096 39.2493 -29.6693 -38.572 -24.3579 54.3711 TIMING: 1333600 CPU: 3964.88, 0.00299378/step Wall: 3964.88, 0.00299378/step, 3.049 hours remaining, 206.507812 MB of memory in use. ENERGY: 1333600 764.1970 2021.2052 1942.5006 114.4828 -206679.8676 18333.5710 0.0000 0.0000 34435.3910 -149068.5200 300.7328 -183503.9110 -148967.6225 300.3371 290.1784 325.9960 555412.5433 1.3043 1.1738 PRESSURE: 1333800 -69.5571 -2.92012 43.3342 -2.92111 21.4031 4.57162 43.3352 4.5728 -5.2254 GPRESSURE: 1333800 -7.71711 8.05452 70.4406 -39.63 26.7746 -51.9215 60.3739 51.8221 9.75287 PRESSAVG: 1333800 32.3792 17.488 -25.7462 17.4881 -10.2422 21.0784 -25.7461 21.0784 -23.9267 GPRESSAVG: 1333800 33.3135 15.2301 -25.9873 18.746 -10.0095 21.712 -25.5142 20.2553 -24.6409 TIMING: 1333800 CPU: 3965.48, 0.00300404/step Wall: 3965.48, 0.00300404/step, 3.05928 hours remaining, 206.507812 MB of memory in use. ENERGY: 1333800 736.5515 2126.6720 1958.3434 112.9672 -206342.0734 17799.8237 0.0000 0.0000 34364.6006 -149243.1149 300.1146 -183607.7156 -149144.7139 299.4374 -17.7931 9.6035 556273.1716 -0.5966 -0.4456 PRESSURE: 1334000 123.208 -6.4437 -9.46625 -6.44199 -112.878 -73.3041 -9.46624 -73.3035 -104.918 GPRESSURE: 1334000 159.561 -26.9709 -1.54327 34.5099 -70.3056 13.1468 -7.43786 -85.4733 -90.3885 PRESSAVG: 1334000 -16.8038 -9.06742 16.8163 -9.06743 27.7326 -28.7446 16.8163 -28.7448 5.45543 GPRESSAVG: 1334000 -17.7734 -6.88784 17.9812 -10.0841 28.8452 -27.7357 15.0829 -30.5238 5.11461 TIMING: 1334000 CPU: 3966.08, 0.00299676/step Wall: 3966.08, 0.00299676/step, 3.0517 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: 1334000 748.1898 2115.4689 1960.2551 99.8997 -206133.7976 17657.6767 0.0000 0.0000 34225.2236 -149327.0838 298.8974 -183552.3075 -149222.0416 299.0632 -31.5294 -0.3776 556520.4096 5.4614 5.3955 PRESSURE: 1334200 -413.511 122.237 4.32989 122.236 -185.572 -251.134 4.32966 -251.134 -62.0542 GPRESSURE: 1334200 -381.27 101.319 72.7341 66.8402 -128.671 -192.01 82.0273 -237.408 -63.7354 PRESSAVG: 1334200 -11.3483 6.97891 36.1443 6.97893 10.9831 -51.5245 36.1443 -51.5246 -3.52976 GPRESSAVG: 1334200 -10.7815 8.30711 34.2851 5.61164 9.97063 -50.0139 39.2895 -49.6746 -3.21687 TIMING: 1334200 CPU: 3966.68, 0.00300141/step Wall: 3966.68, 0.00300141/step, 3.05627 hours remaining, 206.507812 MB of memory in use. ENERGY: 1334200 738.7337 2107.9462 1957.9980 127.1906 -205722.8878 17469.0339 0.0000 0.0000 34008.0718 -149313.9138 297.0009 -183321.9855 -149217.9176 299.3414 -220.3788 -191.2255 559185.2771 -1.2983 -1.3426 PRESSURE: 1334400 -293.27 32.6851 -26.5663 32.6867 -124.889 46.5589 -26.5665 46.5596 -94.5865 GPRESSURE: 1334400 -272.797 -72.2965 23.6714 104.213 -59.6834 123.443 -52.9967 -51.2484 -90.8224 PRESSAVG: 1334400 -17.4569 -9.24666 26.8609 -9.24651 64.7826 0.202063 26.8609 0.202032 -51.4461 GPRESSAVG: 1334400 -16.6033 -9.99773 26.5344 -7.34403 64.9979 0.807021 24.8964 -1.55049 -52.4218 TIMING: 1334400 CPU: 3967.27, 0.00297943/step Wall: 3967.27, 0.00297943/step, 3.03372 hours remaining, 206.507812 MB of memory in use. ENERGY: 1334400 733.4145 2104.1210 1955.2870 104.1220 -206381.1969 17825.6808 0.0000 0.0000 34303.3092 -149355.2625 299.5793 -183658.5717 -149262.9304 298.2454 -170.9150 -141.1010 558601.6937 -1.3735 -1.3424 PRESSURE: 1334600 60.613 -177.938 -57.3847 -177.938 -96.1647 -8.32615 -57.3854 -8.32664 -235.886 GPRESSURE: 1334600 66.1704 -141.937 -133.451 -195.252 -85.2006 -8.30364 -16.7201 33.3547 -156.002 PRESSAVG: 1334600 4.44808 32.6376 51.8462 32.6376 51.3542 -28.7154 51.8462 -28.7154 -56.8549 GPRESSAVG: 1334600 3.50187 30.6821 54.2026 32.4968 50.2523 -29.7382 51.6897 -29.0633 -54.6672 TIMING: 1334600 CPU: 3967.87, 0.00295406/step Wall: 3967.87, 0.00295406/step, 3.00772 hours remaining, 206.507812 MB of memory in use. ENERGY: 1334600 738.6758 2129.2172 1917.0231 107.7774 -206347.3814 17773.1708 0.0000 0.0000 34254.5458 -149426.9712 299.1535 -183681.5170 -149326.3501 298.2906 -90.4793 -58.3442 558716.9078 -0.3509 -0.3044 PRESSURE: 1334800 -235.583 -3.12902 -32.2537 -3.12986 -302.648 27.1422 -32.2535 27.1434 -289.388 GPRESSURE: 1334800 -206.689 -13.4093 -85.1352 30.146 -241.026 60.4533 -62.7212 17.0888 -288.234 PRESSAVG: 1334800 67.3973 -62.7266 -48.4507 -62.7266 -39.2399 69.5902 -48.4507 69.5903 -54.2673 GPRESSAVG: 1334800 66.9461 -61.9403 -49.3781 -63.7256 -38.2282 70.6625 -49.0686 71.5589 -54.5517 TIMING: 1334800 CPU: 3968.46, 0.00296088/step Wall: 3968.46, 0.00296088/step, 3.0145 hours remaining, 206.507812 MB of memory in use. ENERGY: 1334800 746.3673 2120.1712 1955.2893 108.6711 -206069.2681 17758.3904 0.0000 0.0000 34078.6795 -149301.6994 297.6176 -183380.3789 -149201.3075 299.2022 -275.8730 -245.3165 560424.5478 -8.7033 -8.6113 PRESSURE: 1335000 80.856 246.353 -40.6739 246.354 132.354 -127.218 -40.6746 -127.219 87.7716 GPRESSURE: 1335000 213.44 171.869 -101.32 232.92 199.595 -122.092 75.325 -77.7397 -14.106 PRESSAVG: 1335000 -28.7942 -8.50571 61.3935 -8.50567 -25.3349 9.75935 61.3936 9.75917 5.76267 GPRESSAVG: 1335000 -27.0479 -9.48708 60.9448 -7.16776 -26.2955 7.80179 62.6087 9.58265 5.51639 TIMING: 1335000 CPU: 3969.05, 0.0029726/step Wall: 3969.05, 0.0029726/step, 3.02628 hours remaining, 206.507812 MB of memory in use. ENERGY: 1335000 722.9936 2140.8838 1957.6047 113.5795 -206434.7695 17962.1222 0.0000 0.0000 34352.4132 -149185.1725 300.0082 -183537.5857 -149092.2113 299.0960 100.3271 132.9761 556568.1826 -16.1221 -15.9423 PRESSURE: 1335200 -70.3153 74.2608 160.76 74.2602 -125.545 -55.9283 160.761 -55.9295 14.3075 GPRESSURE: 1335200 -103.768 60.7567 282.855 45.4401 -54.3349 -22.601 53.0301 -68.5338 66.349 PRESSAVG: 1335200 -46.5172 -7.78247 67.7728 -7.78251 72.6599 12.1724 67.7728 12.1724 -36.9334 GPRESSAVG: 1335200 -46.9643 -7.47129 68.3141 -8.43064 72.4375 13.0239 67.9654 12.3862 -36.6574 TIMING: 1335200 CPU: 3969.65, 0.00298551/step Wall: 3969.65, 0.00298551/step, 3.03924 hours remaining, 206.507812 MB of memory in use. ENERGY: 1335200 755.6816 2081.9838 1952.0003 109.3393 -206396.8067 17946.7153 0.0000 0.0000 34505.9872 -149045.0992 301.3494 -183551.0864 -148947.2092 299.3440 -60.5177 -30.5845 558891.8130 -3.5969 -3.7281 PRESSURE: 1335400 29.5628 -51.1026 122.625 -51.1023 -54.1437 -6.97519 122.623 -6.97665 -89.7899 GPRESSURE: 1335400 64.1423 -6.60466 51.8485 -5.64114 -35.3979 -8.99918 201.062 29.9814 -49.4992 PRESSAVG: 1335400 -68.7369 -17.415 64.502 -17.4149 11.1636 -3.32331 64.5019 -3.32323 25.3435 GPRESSAVG: 1335400 -70.177 -16.688 64.5145 -16.9639 13.4442 -3.17881 64.1658 -3.49159 24.3978 TIMING: 1335400 CPU: 3970.25, 0.00298228/step Wall: 3970.25, 0.00298228/step, 3.0358 hours remaining, 206.507812 MB of memory in use. ENERGY: 1335400 769.6236 2131.3529 1949.5948 121.4736 -206100.3543 17849.0891 0.0000 0.0000 34145.0723 -149134.1479 298.1974 -183279.2203 -149038.9716 299.1263 -38.1236 -6.9183 559830.3746 -10.7433 -10.7784 PRESSURE: 1335600 -64.6065 229.023 33.2337 229.021 -204.809 10.9014 33.2344 10.901 24.9212 GPRESSURE: 1335600 -52.0484 190.614 70.1431 240.432 -152.062 -90.8617 31.8271 1.71783 68.6539 PRESSAVG: 1335600 -19.2196 35.219 -53.9941 35.2191 22.2168 -103.217 -53.9942 -103.217 23.7603 GPRESSAVG: 1335600 -17.9293 35.0754 -56.4472 34.8426 20.7631 -104.514 -53.7413 -103.487 24.0332 TIMING: 1335600 CPU: 3970.85, 0.00302188/step Wall: 3970.85, 0.00302188/step, 3.07594 hours remaining, 206.507812 MB of memory in use. ENERGY: 1335600 725.2492 2159.5745 1963.1407 101.9176 -205924.1655 17597.7841 0.0000 0.0000 34491.5272 -148884.9722 301.2231 -183376.4994 -148784.9744 299.6321 -81.4981 -45.1523 559167.0538 8.9192 8.9557 PRESSURE: 1335800 -103.906 -11.6667 125.625 -11.6673 -45.8512 -108.366 125.625 -108.366 115.193 GPRESSURE: 1335800 -63.4585 -28.3408 8.86737 -20.5071 18.8844 -103.616 73.4559 -93.954 101.384 PRESSAVG: 1335800 9.01545 2.82419 -7.76681 2.82419 -13.9465 -25.4012 -7.76686 -25.4011 -26.873 GPRESSAVG: 1335800 9.36608 2.33955 -5.60765 3.50851 -13.3166 -23.6614 -11.0787 -25.7283 -27.6121 TIMING: 1335800 CPU: 3971.45, 0.00302333/step Wall: 3971.45, 0.00302333/step, 3.07725 hours remaining, 206.507812 MB of memory in use. ENERGY: 1335800 730.4604 2109.0948 1979.3655 108.9272 -206072.2189 17766.2220 0.0000 0.0000 34417.7693 -148960.3797 300.5789 -183378.1490 -148856.4832 299.5819 -11.5216 18.9368 558487.2609 -10.6013 -10.5209 PRESSURE: 1336000 -66.7378 -159.258 -171.135 -159.258 -258.442 -93.3328 -171.133 -93.332 74.5628 GPRESSURE: 1336000 13.5882 -144.82 -131.479 -262.075 -275.077 -61.8613 -134.423 -63.9565 102.446 PRESSAVG: 1336000 -3.21812 10.7904 -25.8452 10.7906 -5.6346 -10.4862 -25.8452 -10.4861 7.33221 GPRESSAVG: 1336000 -2.76832 10.8252 -26.4357 10.702 -5.81547 -10.4835 -22.9552 -11.682 7.02489 TIMING: 1336000 CPU: 3972.06, 0.00300747/step Wall: 3972.06, 0.00300747/step, 3.06093 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: 1336000 776.7064 2073.9305 1953.3433 101.3202 -206018.5362 17636.7468 0.0000 0.0000 34477.6225 -148998.8666 301.1017 -183476.4891 -148899.8453 299.6816 -83.5390 -53.0143 557401.8461 -0.5068 -0.5196 PRESSURE: 1336200 34.5595 -60.5618 40.7833 -60.5619 -79.9168 69.0375 40.7831 69.0377 177.312 GPRESSURE: 1336200 140.03 -42.8412 123.055 -90.9734 -104.26 -26.5944 32.5594 76.1408 199.529 PRESSAVG: 1336200 29.6966 -36.0564 12.9843 -36.0564 -25.2558 -6.0005 12.9843 -6.0006 11.4985 GPRESSAVG: 1336200 28.9867 -33.8721 15.3265 -38.0788 -25.7256 -6.21269 10.9249 -5.67311 12.5318 TIMING: 1336200 CPU: 3972.66, 0.00300291/step Wall: 3972.66, 0.00300291/step, 3.05613 hours remaining, 206.507812 MB of memory in use. ENERGY: 1336200 754.5011 2108.0439 1973.1798 116.8418 -205895.3860 17780.9849 0.0000 0.0000 34294.2703 -148867.5642 299.5004 -183161.8345 -148774.3579 300.7126 43.9851 78.4331 556436.1530 5.3131 5.2643 LDB: ============= START OF LOAD BALANCING ============== 3976.09 LDB: ============== END OF LOAD BALANCING =============== 3976.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3976.09 LDB: ============= START OF LOAD BALANCING ============== 3976.39 LDB: Largest compute 4821 load 0.030216 is 25.6% of average load 0.117990 LDB: Average compute 0.001716 is 1.5% of average load 0.117990 LDB: TIME 3976.39 LOAD: AVG 0.11799 MAX 0.198312 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 3976.39 LOAD: AVG 0.11799 MAX 0.198312 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.219 MB LDB: TIME 3976.39 LOAD: AVG 0.11799 MAX 0.198312 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.219 MB LDB: ============== END OF LOAD BALANCING =============== 3976.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3976.4 PRESSURE: 1336400 -196.786 0.965053 -80.6268 0.964193 -205.732 -125.492 -80.6258 -125.491 125.487 GPRESSURE: 1336400 -103.976 30.3772 -54.7886 16.1599 -151.672 -45.4112 -35.2239 -95.5521 87.9213 PRESSAVG: 1336400 26.0353 -25.8078 -11.2016 -25.8078 -37.8967 21.2324 -11.2015 21.2324 -37.5019 GPRESSAVG: 1336400 26.2278 -27.2643 -15.108 -25.3452 -37.5966 21.5875 -8.23556 22.3618 -38.6791 TIMING: 1336400 CPU: 3973.27, 0.00304868/step Wall: 3973.27, 0.00304868/step, 3.10254 hours remaining, 205.667969 MB of memory in use. ENERGY: 1336400 748.3127 2149.9591 1970.7181 127.1968 -205824.4350 17593.5424 0.0000 0.0000 34344.2610 -148890.4449 299.9370 -183234.7060 -148798.1299 299.8453 -92.3437 -55.9089 558431.3452 -16.4544 -16.6826 PRESSURE: 1336600 21.2341 -158.129 -90.773 -158.129 101.652 167.13 -90.7734 167.128 -185.231 GPRESSURE: 1336600 85.3346 -137.698 -90.5373 -178.606 164.821 126.088 -70.4092 204.028 -228.64 PRESSAVG: 1336600 66.8968 -16.9454 -31.4145 -16.9453 -39.0758 28.5919 -31.4144 28.5919 -2.7048 GPRESSAVG: 1336600 66.7629 -16.7807 -29.6916 -15.9763 -39.6446 27.8624 -33.6543 27.7001 -1.97632 TIMING: 1336600 CPU: 3973.88, 0.00305547/step Wall: 3973.88, 0.00305547/step, 3.10928 hours remaining, 205.667969 MB of memory in use. ENERGY: 1336600 750.7830 2073.8470 1943.0299 115.9010 -205859.6106 17687.9617 0.0000 0.0000 34448.7389 -148839.3490 300.8494 -183288.0879 -148734.0476 300.5464 -20.7815 7.1716 557543.3938 8.3720 8.3807 PRESSURE: 1336800 215.943 83.904 -140.828 83.903 -22.7871 123.946 -140.829 123.947 -371.927 GPRESSURE: 1336800 215.741 133.672 -60.8772 5.38458 17.5715 130.509 -147.622 52.202 -320.598 PRESSAVG: 1336800 27.7283 -35.5391 -50.1898 -35.5391 19.8012 22.1459 -50.1897 22.146 -8.41982 GPRESSAVG: 1336800 28.1929 -36.6686 -50.5563 -37.1516 18.5393 22.5132 -48.6393 22.1301 -7.35347 TIMING: 1336800 CPU: 3974.49, 0.00304145/step Wall: 3974.49, 0.00304145/step, 3.09484 hours remaining, 205.667969 MB of memory in use. ENERGY: 1336800 780.4853 2103.4731 1945.6631 98.0802 -205969.3097 17733.6686 0.0000 0.0000 34355.1330 -148952.8063 300.0319 -183307.9393 -148846.5666 300.1166 -59.5903 -29.0952 558136.5176 13.0365 13.1263 PRESSURE: 1337000 44.4002 -1.77309 -142.69 -1.77222 18.0898 29.8667 -142.691 29.8677 -130.898 GPRESSURE: 1337000 91.4293 56.5113 -173.768 -39.2802 42.153 -68.8976 -124.381 46.9411 -102.538 PRESSAVG: 1337000 9.98084 25.4846 -60.6234 25.4846 59.0499 -5.64025 -60.6233 -5.64014 -85.8739 GPRESSAVG: 1337000 9.25195 25.1645 -59.0128 28.0275 60.3073 -4.61959 -61.2464 -5.01472 -86.5002 TIMING: 1337000 CPU: 3975.1, 0.0030569/step Wall: 3975.1, 0.0030569/step, 3.11039 hours remaining, 205.667969 MB of memory in use. ENERGY: 1337000 751.2525 2130.2451 1958.6675 113.9150 -205802.5778 17821.3475 0.0000 0.0000 34269.1788 -148757.9713 299.2813 -183027.1502 -148667.0948 299.6265 -22.8027 10.3482 559172.8155 -5.6144 -5.6470 PRESSURE: 1337200 -19.1781 1.42785 -182.639 1.42725 -30.0862 -57.8976 -182.638 -57.8992 71.4954 GPRESSURE: 1337200 22.5682 56.8571 -213.529 -60.3832 -16.7905 -152.328 -170.114 -90.1281 127.266 PRESSAVG: 1337200 5.88962 -15.0328 -25.9679 -15.0328 25.7269 24.3163 -25.9679 24.3164 -8.63177 GPRESSAVG: 1337200 6.55826 -13.5348 -24.3766 -16.2592 25.4792 22.3098 -27.5388 24.528 -8.7177 TIMING: 1337200 CPU: 3975.71, 0.00305437/step Wall: 3975.71, 0.00305437/step, 3.10765 hours remaining, 205.667969 MB of memory in use. ENERGY: 1337200 730.0872 2101.9320 1949.1284 115.1944 -205893.3050 17706.7965 0.0000 0.0000 34517.0692 -148773.0972 301.4462 -183290.1664 -148678.2538 299.9694 7.4104 44.3480 558106.0753 7.6616 7.7733 PRESSURE: 1337400 102.949 -18.6163 77.1456 -18.615 87.6843 20.8515 77.1442 20.8524 0.981795 GPRESSURE: 1337400 70.1053 25.0032 36.3272 2.37074 138.286 25.4579 127.566 -11.8051 66.9747 PRESSAVG: 1337400 18.0417 6.09619 -52.5776 6.09623 -33.4265 25.5443 -52.5776 25.5442 2.86769 GPRESSAVG: 1337400 17.2246 9.10135 -56.0379 5.43082 -32.4071 28.7332 -52.3332 21.9524 2.9178 TIMING: 1337400 CPU: 3976.31, 0.00301728/step Wall: 3976.31, 0.00301728/step, 3.06974 hours remaining, 205.667969 MB of memory in use. ENERGY: 1337400 782.7554 2128.2586 1958.3215 104.9527 -205962.8245 17819.4771 0.0000 0.0000 34195.5986 -148973.4606 298.6387 -183169.0592 -148875.4626 299.9790 63.8718 91.7888 557611.5500 -4.1724 -4.0883 PRESSURE: 1337600 -8.24061 24.7436 15.2722 24.7426 53.4877 41.0927 15.2716 41.0932 -64.1382 GPRESSURE: 1337600 -19.09 114.446 7.17606 43.6181 78.9598 150.993 6.38409 -27.9914 11.5404 PRESSAVG: 1337600 -54.2946 28.6567 -21.6399 28.6567 14.7958 10.5446 -21.6399 10.5446 41.3085 GPRESSAVG: 1337600 -53.4339 25.738 -22.8276 29.0587 12.5667 7.39041 -21.6073 13.3078 41.8222 TIMING: 1337600 CPU: 3976.91, 0.00300111/step Wall: 3976.91, 0.00300111/step, 3.05313 hours remaining, 205.667969 MB of memory in use. ENERGY: 1337600 769.6826 2083.0876 1957.1567 111.7523 -206125.4883 17722.5046 0.0000 0.0000 34503.6259 -148977.6786 301.3287 -183481.3045 -148885.5186 300.4706 -6.2970 23.8034 557288.4164 0.6033 0.3183 PRESSURE: 1337800 -136.99 -153.556 53.4978 -153.558 6.46299 -60.323 53.4988 -60.323 74.7237 GPRESSURE: 1337800 -72.6734 -134.952 41.1664 -129.327 -21.9447 7.92303 120.038 -87.2443 130.51 PRESSAVG: 1337800 84.6489 -4.09282 18.379 -4.09278 -36.7565 48.2921 18.3791 48.2921 15.8014 GPRESSAVG: 1337800 84.9636 -1.83747 20.8177 -4.79259 -36.178 48.7462 17.4838 48.9661 14.884 TIMING: 1337800 CPU: 3977.51, 0.0029958/step Wall: 3977.51, 0.0029958/step, 3.04756 hours remaining, 205.667969 MB of memory in use. ENERGY: 1337800 749.3431 2074.5206 1957.8010 111.3768 -205880.2977 17704.1459 0.0000 0.0000 34400.3606 -148882.7496 300.4269 -183283.1102 -148784.1589 300.4141 -18.6012 11.9639 558172.1969 21.2313 21.2232 PRESSURE: 1338000 -300.011 32.9722 -89.1874 32.9727 58.7929 80.1416 -89.1872 80.1421 -83.0733 GPRESSURE: 1338000 -213.334 46.2607 -120.546 -57.6691 68.3447 75.908 -105.425 44.3394 -79.295 PRESSAVG: 1338000 -4.06736 17.8983 -52.6802 17.8984 -17.7931 10.6283 -52.6802 10.6284 -18.2856 GPRESSAVG: 1338000 -4.81296 17.2814 -52.355 16.5328 -18.0336 8.87188 -50.2955 10.9935 -17.9575 TIMING: 1338000 CPU: 3978.11, 0.00300177/step Wall: 3978.11, 0.00300177/step, 3.05347 hours remaining, 205.667969 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: 1338000 765.0322 2099.0583 1957.6650 113.5623 -205984.4793 17790.5732 0.0000 0.0000 34365.5937 -148892.9946 300.1233 -183258.5883 -148795.9611 300.2882 -108.0972 -74.7614 557477.5137 -13.3820 -13.6014 PRESSURE: 1338200 88.8633 -109.395 41.7356 -109.394 -48.3367 26.3604 41.7361 26.3603 -354.09 GPRESSURE: 1338200 134.926 -122.72 52.3891 -83.7134 -48.2931 69.2842 55.5815 7.99743 -293.837 PRESSAVG: 1338200 34.4636 58.6268 11.214 58.6269 20.3985 61.7232 11.2139 61.7233 30.5773 GPRESSAVG: 1338200 35.3763 58.5022 12.2174 61.3284 20.3235 64.7695 8.20866 59.5633 29.7269 TIMING: 1338200 CPU: 3978.71, 0.00297339/step Wall: 3978.71, 0.00297339/step, 3.02443 hours remaining, 205.667969 MB of memory in use. ENERGY: 1338200 778.5028 2100.8587 1924.2388 113.5919 -205786.1294 17609.9690 0.0000 0.0000 34376.7407 -148882.2276 300.2206 -183258.9683 -148787.3899 300.0326 -104.5210 -69.0679 558150.2877 28.4798 28.4756 PRESSURE: 1338400 -219.998 -174.887 -81.7611 -174.887 -122.195 -33.1469 -81.7624 -33.1469 229.45 GPRESSURE: 1338400 -161.998 -95.0449 -93.2683 -276.996 -100.358 -8.66096 -47.4601 -132.812 250.83 PRESSAVG: 1338400 52.4218 -83.6537 11.0895 -83.6537 -102.895 -25.4833 11.0894 -25.4832 55.8982 GPRESSAVG: 1338400 50.8741 -85.8341 9.49339 -84.7444 -102.289 -27.0844 13.9624 -23.3163 56.6607 TIMING: 1338400 CPU: 3979.3, 0.00295482/step Wall: 3979.3, 0.00295482/step, 3.00538 hours remaining, 205.667969 MB of memory in use. ENERGY: 1338400 747.9457 2135.9169 1938.4592 108.0857 -206343.7443 17949.9998 0.0000 0.0000 34446.0867 -149017.2502 300.8262 -183463.3369 -148918.4342 299.7038 -37.5811 -3.8420 558380.2472 1.8084 1.7486 PRESSURE: 1338600 118.494 -14.3289 -153.259 -14.3291 -42.2413 46.2298 -153.26 46.2326 54.3446 GPRESSURE: 1338600 132.833 20.0293 -188.506 -146.459 -37.0891 65.0161 -175.587 50.6366 132.938 PRESSAVG: 1338600 15.9045 -40.7023 -24.0269 -40.7023 -15.067 11.6578 -24.0268 11.6577 24.9161 GPRESSAVG: 1338600 16.0998 -36.6107 -24.7847 -42.2098 -15.3874 12.8338 -24.3781 10.7006 24.6556 TIMING: 1338600 CPU: 3979.89, 0.00297377/step Wall: 3979.89, 0.00297377/step, 3.02449 hours remaining, 205.667969 MB of memory in use. ENERGY: 1338600 738.7758 2097.4575 1943.7622 110.5935 -206170.3097 17870.3427 0.0000 0.0000 34199.1225 -149210.2555 298.6694 -183409.3780 -149107.8347 299.4520 43.5326 76.2274 558373.3913 8.5846 8.4560 PRESSURE: 1338800 188.875 -91.273 122.255 -91.2721 123.229 36.5291 122.256 36.53 90.1255 GPRESSURE: 1338800 189.161 -52.4151 99.981 -86.2736 162.56 72.9881 120.911 -1.61551 135.222 PRESSAVG: 1338800 23.763 30.61 -21.4269 30.61 -32.5296 50.2723 -21.4269 50.2724 65.2885 GPRESSAVG: 1338800 23.7125 26.2416 -21.7327 32.5848 -31.5885 48.9663 -23.1475 50.8348 64.0762 TIMING: 1338800 CPU: 3980.49, 0.00297359/step Wall: 3980.49, 0.00297359/step, 3.02414 hours remaining, 205.667969 MB of memory in use. ENERGY: 1338800 710.5795 2163.1019 1950.0863 109.8670 -206286.2003 17831.3327 0.0000 0.0000 34307.1426 -149214.0904 299.6128 -183521.2330 -149109.5260 300.2924 134.0767 162.3144 557220.8038 18.8407 18.7334 PRESSURE: 1339000 113.152 -89.5895 -13.4585 -89.5897 257.971 91.0541 -13.4578 91.0555 413.354 GPRESSURE: 1339000 203.606 -149.036 -37.8784 -64.4327 281.727 48.8769 35.8281 59.6173 399.426 PRESSAVG: 1339000 -33.1153 -9.12823 3.17375 -9.12821 21.1735 9.57793 3.1738 9.57797 27.3326 GPRESSAVG: 1339000 -32.6215 -7.80556 3.73101 -8.23531 20.0462 11.2532 2.68766 7.75586 27.609 TIMING: 1339000 CPU: 3981.08, 0.00297771/step Wall: 3981.08, 0.00297771/step, 3.02816 hours remaining, 205.667969 MB of memory in use. ENERGY: 1339000 733.8194 2127.0156 1957.2330 112.2859 -206641.2939 18141.5810 0.0000 0.0000 34440.4071 -149128.9519 300.7766 -183569.3590 -149033.0452 300.1404 261.4922 294.9197 556830.3985 5.1303 5.0112 PRESSURE: 1339200 -146.259 33.5186 -115.925 33.5201 -214.685 31.8968 -115.926 31.8953 -4.44837 GPRESSURE: 1339200 -98.6204 49.6478 -77.9395 48.1558 -139.448 64.2965 -84.0614 -39.7491 -33.3033 PRESSAVG: 1339200 27.0234 -2.21999 -10.5932 -2.21991 -45.7934 9.44283 -10.5932 9.44277 -9.68936 GPRESSAVG: 1339200 26.1377 -2.85071 -9.68497 -2.10822 -44.9109 9.49282 -9.02675 10.4899 -9.83091 TIMING: 1339200 CPU: 3981.68, 0.00297342/step Wall: 3981.68, 0.00297342/step, 3.02364 hours remaining, 205.667969 MB of memory in use. ENERGY: 1339200 771.1192 2146.2083 1938.2860 120.4465 -205918.1557 17685.2456 0.0000 0.0000 34111.6813 -149145.1687 297.9058 -183256.8500 -149057.8063 299.4876 -121.7976 -90.4573 557070.3290 -9.4865 -9.5347 PRESSURE: 1339400 117.172 -28.1024 52.2731 -28.1024 -226.39 87.0113 52.2748 87.0115 -45.2353 GPRESSURE: 1339400 72.3753 -17.9633 31.6093 -93.5714 -127.98 63.5937 54.4513 157.91 -2.45192 PRESSAVG: 1339400 56.7146 -13.243 49.6415 -13.243 -64.9035 -50.0427 49.6415 -50.0428 9.93036 GPRESSAVG: 1339400 57.0621 -12.9569 48.4444 -14.6318 -65.0391 -50.835 49.6012 -52.7625 9.99465 TIMING: 1339400 CPU: 3982.27, 0.00297097/step Wall: 3982.27, 0.00297097/step, 3.02098 hours remaining, 205.667969 MB of memory in use. ENERGY: 1339400 730.5487 2099.4302 1957.5524 105.7301 -206192.1918 17730.1924 0.0000 0.0000 34288.1264 -149280.6116 299.4467 -183568.7380 -149182.5711 299.9421 -51.4845 -19.3523 557281.4644 0.5805 0.6726 PRESSURE: 1339600 -206.823 79.7808 125.119 79.7818 -236.15 -176.014 125.119 -176.014 -73.0942 GPRESSURE: 1339600 -157.427 137.92 -14.9421 135.739 -227.13 -171.566 152.607 -137.961 -38.4539 PRESSAVG: 1339600 18.0444 3.13538 28.2815 3.13534 11.2924 -17.4071 28.2815 -17.4071 -47.4576 GPRESSAVG: 1339600 18.3811 6.5949 27.2755 4.4532 10.8263 -15.6786 26.4881 -16.4345 -47.2512 TIMING: 1339600 CPU: 3982.87, 0.00297367/step Wall: 3982.87, 0.00297367/step, 3.02356 hours remaining, 205.667969 MB of memory in use. ENERGY: 1339600 764.4275 2036.6223 1940.1344 106.7270 -205874.3265 17486.7052 0.0000 0.0000 34350.2649 -149189.4452 299.9894 -183539.7101 -149091.2283 299.3058 -172.0224 -141.0038 557346.3053 -6.0403 -6.0146 PRESSURE: 1339800 -212.567 35.3593 -43.1849 35.359 -81.6227 -103.172 -43.1845 -103.171 -279.227 GPRESSURE: 1339800 -187.58 29.3481 48.76 -105.701 -76.3037 -99.125 -70.8164 -132.883 -218.593 PRESSAVG: 1339800 39.9152 -11.5522 -0.297342 -11.5521 -33.169 -32.3251 -0.29727 -32.325 9.52612 GPRESSAVG: 1339800 41.2948 -12.6464 1.08556 -13.7696 -33.452 -32.5727 1.18264 -30.5408 9.3607 TIMING: 1339800 CPU: 3983.46, 0.00297292/step Wall: 3983.46, 0.00297292/step, 3.02264 hours remaining, 205.667969 MB of memory in use. ENERGY: 1339800 767.9265 2087.9592 1914.1757 112.4395 -205800.6334 17526.8987 0.0000 0.0000 34378.0910 -149013.1428 300.2324 -183391.2339 -148913.6051 299.7524 -191.1388 -160.8254 559147.7143 5.4241 5.7345 PRESSURE: 1340000 -170.304 72.2558 26.7355 72.2572 -53.2985 176.185 26.7345 176.186 57.0111 GPRESSURE: 1340000 -152.933 53.1587 27.1294 134.181 -27.0861 192.51 -35.3606 145.749 111.469 PRESSAVG: 1340000 -58.0276 33.8747 -49.3339 33.8746 -16.7642 -48.482 -49.3339 -48.4818 59.3045 GPRESSAVG: 1340000 -59.6432 33.7932 -48.9947 36.1231 -16.5341 -51.3994 -49.4122 -46.7312 60.297 TIMING: 1340000 CPU: 3984.06, 0.00297528/step Wall: 3984.06, 0.00297528/step, 3.02486 hours remaining, 205.667969 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: 1340000 763.2801 2100.5368 1959.0144 122.0208 -205903.3752 17722.4002 0.0000 0.0000 34288.5327 -148947.5902 299.4503 -183236.1229 -148850.2671 300.3988 -55.5306 -22.8498 558112.4581 -5.1624 -5.2935 PRESSURE: 1340200 54.8471 87.5141 51.5178 87.5146 -63.4848 -178.204 51.5181 -178.204 -178.116 GPRESSURE: 1340200 59.1473 77.5924 -22.1456 93.5834 14.8291 -187.702 72.0881 -190.071 -141.467 PRESSAVG: 1340200 61.5291 39.0154 -24.1821 39.0154 -39.4991 -7.64758 -24.1821 -7.64756 -9.72342 GPRESSAVG: 1340200 62.3 37.7956 -24.8518 38.5285 -39.0749 -6.20148 -23.0852 -8.91574 -10.289 TIMING: 1340200 CPU: 3984.66, 0.00300193/step Wall: 3984.66, 0.00300193/step, 3.05179 hours remaining, 205.667969 MB of memory in use. ENERGY: 1340200 752.6735 2131.2956 1955.8367 115.9016 -206083.2943 17764.1613 0.0000 0.0000 34478.4252 -148885.0002 301.1087 -183363.4255 -148787.7031 300.4728 -62.2513 -22.4969 558876.0130 4.1022 4.3121 LDB: ============= START OF LOAD BALANCING ============== 3988.08 LDB: ============== END OF LOAD BALANCING =============== 3988.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3988.08 LDB: ============= START OF LOAD BALANCING ============== 3988.38 LDB: Largest compute 4821 load 0.029100 is 24.6% of average load 0.118066 LDB: Average compute 0.001712 is 1.5% of average load 0.118066 LDB: TIME 3988.38 LOAD: AVG 0.118066 MAX 0.200787 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.242 MB LDB: TIME 3988.38 LOAD: AVG 0.118066 MAX 0.200787 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.242 MB LDB: TIME 3988.38 LOAD: AVG 0.118066 MAX 0.200787 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 3988.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 3988.39 PRESSURE: 1340400 15.9098 -95.1828 112.822 -95.1831 98.0505 -227.362 112.822 -227.361 20.9151 GPRESSURE: 1340400 73.2493 -81.312 83.8672 -67.593 129.49 -191.777 162.692 -232.694 30.1367 PRESSAVG: 1340400 10.4893 49.4776 9.92517 49.4775 -29.0666 -42.7588 9.92508 -42.7586 -36.6042 GPRESSAVG: 1340400 10.7759 48.9995 10.1825 49.8509 -29.2707 -41.5341 8.91124 -44.4171 -36.8036 TIMING: 1340400 CPU: 3985.26, 0.00302787/step Wall: 3985.26, 0.00302787/step, 3.07799 hours remaining, 206.503906 MB of memory in use. ENERGY: 1340400 765.0686 2113.8632 1944.7462 111.3498 -206453.1292 18050.4432 0.0000 0.0000 34531.3100 -148936.3482 301.5705 -183467.6582 -148830.7685 300.0666 44.9584 77.6253 557798.3823 -18.3938 -18.4328 PRESSURE: 1340600 -118.898 -118.212 40.1129 -118.212 -73.1136 20.8811 40.1136 20.8819 -69.3671 GPRESSURE: 1340600 -88.134 -89.3352 59.2698 -47.8973 -3.54104 14.4033 99.6096 52.226 -82.2994 PRESSAVG: 1340600 46.2472 -23.2683 -14.5001 -23.2683 0.898704 28.2306 -14.5001 28.2306 -12.9967 GPRESSAVG: 1340600 46.3982 -21.7954 -14.303 -23.9194 -0.276637 27.5651 -12.0615 30.333 -12.5388 TIMING: 1340600 CPU: 3985.86, 0.00300641/step Wall: 3985.86, 0.00300641/step, 3.05602 hours remaining, 206.503906 MB of memory in use. ENERGY: 1340600 812.8542 2092.6416 1939.4668 111.5187 -206310.6057 17855.8235 0.0000 0.0000 34466.5503 -149031.7506 301.0050 -183498.3009 -148931.0663 300.0474 -87.1262 -57.9915 558021.6706 11.3831 11.1943 PRESSURE: 1340800 -240.729 -24.4942 -13.0016 -24.4949 126.496 178.236 -13.0011 178.237 -139.322 GPRESSURE: 1340800 -227.326 -36.003 18.9918 16.9957 160.443 256.517 -1.47812 166.599 -90.2071 PRESSAVG: 1340800 -51.2149 -70.1959 2.97796 -70.1959 38.4195 27.0631 2.97804 27.0631 -20.8524 GPRESSAVG: 1340800 -51.5377 -71.1004 4.67782 -70.5132 38.5036 27.1582 -0.228204 26.2905 -20.9701 TIMING: 1340800 CPU: 3986.46, 0.00299339/step Wall: 3986.46, 0.00299339/step, 3.04262 hours remaining, 206.503906 MB of memory in use. ENERGY: 1340800 744.1481 2126.4586 1936.2001 120.0894 -205683.6888 17622.5819 0.0000 0.0000 34217.0355 -148917.1751 298.8259 -183134.2106 -148829.2705 299.3828 -84.5182 -52.3632 559005.7382 -11.2160 -11.3347 PRESSURE: 1341000 57.9604 162.283 -184.65 162.283 -104.341 -119.554 -184.648 -119.554 -5.92116 GPRESSURE: 1341000 107.03 242.262 -307.324 151.319 -98.6523 -112.27 -25.6312 -65.5398 21.9666 PRESSAVG: 1341000 -36.0691 -14.9734 -24.2989 -14.9734 17.1458 67.8854 -24.2988 67.8854 -10.3784 GPRESSAVG: 1341000 -34.6951 -15.4279 -25.6824 -14.6018 16.324 66.6717 -23.8021 66.9986 -11.1989 TIMING: 1341000 CPU: 3987.06, 0.00298143/step Wall: 3987.06, 0.00298143/step, 3.03029 hours remaining, 206.503906 MB of memory in use. ENERGY: 1341000 760.2646 2073.7818 1951.6244 108.4416 -205936.4030 17801.4223 0.0000 0.0000 34235.0433 -149005.8250 298.9831 -183240.8683 -148906.6843 299.5683 -17.4339 10.1146 558193.3113 -9.7672 -9.8567 PRESSURE: 1341200 -77.1429 40.95 43.4899 40.95 -233.921 70.6234 43.4892 70.6222 -173.161 GPRESSURE: 1341200 -3.64298 10.2937 4.13435 74.6996 -213.612 13.4083 0.463897 155.532 -169.705 PRESSAVG: 1341200 8.63387 -59.8693 -20.15 -59.8692 31.4927 17.8688 -20.1499 17.8688 -55.0524 GPRESSAVG: 1341200 7.18219 -59.1877 -18.9725 -58.8563 32.4151 17.0792 -21.9738 19.8353 -54.5619 TIMING: 1341200 CPU: 3987.65, 0.00296918/step Wall: 3987.65, 0.00296918/step, 3.01767 hours remaining, 206.503906 MB of memory in use. ENERGY: 1341200 716.5838 2126.2485 1918.9773 124.1419 -205912.9751 17525.3262 0.0000 0.0000 34457.7008 -149043.9967 300.9277 -183501.6975 -148945.2987 299.8056 -161.4084 -128.9866 557236.6987 -4.9753 -4.9882 PRESSURE: 1341400 51.3229 -197.026 86.0707 -197.024 -30.7115 -157.248 86.0705 -157.249 172.793 GPRESSURE: 1341400 110.004 -123.162 -22.2452 -220.641 10.8931 -95.224 116.605 -122.648 182.007 PRESSAVG: 1341400 -47.6813 24.7543 37.754 24.7544 -14.4224 -67.857 37.754 -67.8569 26.215 GPRESSAVG: 1341400 -47.1386 23.7681 35.2593 24.4036 -14.3142 -66.2465 43.1815 -69.8365 26.0577 TIMING: 1341400 CPU: 3988.24, 0.00296569/step Wall: 3988.24, 0.00296569/step, 3.01397 hours remaining, 206.503906 MB of memory in use. ENERGY: 1341400 731.8951 2115.2852 1964.7307 109.1379 -205969.2671 18001.6705 0.0000 0.0000 34144.2445 -148902.3032 298.1902 -183046.5477 -148803.9730 299.5515 64.4681 100.9681 558832.3691 -11.9629 -11.7984 PRESSURE: 1341600 144.057 -81.7467 141.156 -81.7472 51.2554 -188.942 141.158 -188.942 54.6432 GPRESSURE: 1341600 211.634 16.065 192.15 -93.6073 66.0941 -220.321 193.715 -145.57 73.0593 PRESSAVG: 1341600 35.0113 18.3387 45.5834 18.3387 -63.3098 -25.4297 45.5834 -25.4298 2.09563 GPRESSAVG: 1341600 34.3953 20.5844 47.526 16.4474 -62.5821 -25.0244 43.0696 -26.0611 2.08917 TIMING: 1341600 CPU: 3988.84, 0.00296351/step Wall: 3988.84, 0.00296351/step, 3.01159 hours remaining, 206.503906 MB of memory in use. ENERGY: 1341600 747.0965 2074.2019 1946.3374 115.9195 -206299.7648 17979.2758 0.0000 0.0000 34472.4741 -148964.4596 301.0567 -183436.9337 -148869.4315 299.9169 83.3186 116.9292 557220.3879 -8.7343 -8.6992 PRESSURE: 1341800 -145.101 40.8621 75.9051 40.8621 -39.0858 9.47081 75.9056 9.46878 154.698 GPRESSURE: 1341800 -78.816 115.228 61.94 -16.5121 -31.0108 -3.98303 137.052 -4.2656 168.718 PRESSAVG: 1341800 -74.051 21.2659 13.8893 21.2658 36.3473 5.02241 13.8893 5.02233 49.0209 GPRESSAVG: 1341800 -73.3428 21.0599 13.5794 20.8101 35.6042 4.60685 14.0997 5.89293 49.5461 TIMING: 1341800 CPU: 3989.43, 0.00297787/step Wall: 3989.43, 0.00297787/step, 3.02601 hours remaining, 206.503906 MB of memory in use. ENERGY: 1341800 787.0053 2058.3897 1973.2980 115.2498 -206107.8854 17688.4512 0.0000 0.0000 34324.8543 -149160.6371 299.7675 -183485.4914 -149075.9220 299.8238 -9.8294 19.6305 555823.9186 3.7724 3.9358 PRESSURE: 1342000 -25.8411 61.582 14.1249 61.5818 70.0003 96.7699 14.1264 96.7691 -46.1889 GPRESSURE: 1342000 2.80099 37.8368 20.3471 44.5726 161.273 37.1634 4.8862 86.2537 -58.3471 PRESSAVG: 1342000 -16.9596 -23.2202 33.6302 -23.2203 -25.5564 4.31482 33.6302 4.31468 20.6139 GPRESSAVG: 1342000 -17.0416 -25.2144 33.3318 -19.7554 -25.6705 4.75933 32.6464 4.41771 20.3427 TIMING: 1342000 CPU: 3990.02, 0.00296036/step Wall: 3990.02, 0.00296036/step, 3.00806 hours remaining, 206.503906 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: 1342000 751.8781 2083.8552 1936.1215 107.0910 -206077.5029 17760.9054 0.0000 0.0000 34253.2902 -149184.3614 299.1425 -183437.6517 -149079.1845 299.2620 -0.6766 35.2421 557102.4250 -7.3007 -7.4565 PRESSURE: 1342200 61.7332 9.81548 302.317 9.81406 192.452 123.2 302.316 123.199 51.1341 GPRESSURE: 1342200 99.9006 -77.5882 353.91 28.0306 224.761 140.786 215.657 96.3402 69.7319 PRESSAVG: 1342200 23.1896 13.3187 30.9354 13.3187 17.1748 -35.1865 30.9354 -35.1865 11.1537 GPRESSAVG: 1342200 23.1111 12.4625 30.8769 11.186 16.8569 -33.8641 31.3361 -34.3301 11.4537 TIMING: 1342200 CPU: 3990.62, 0.00297812/step Wall: 3990.62, 0.00297812/step, 3.02594 hours remaining, 206.503906 MB of memory in use. ENERGY: 1342200 738.4757 2075.7260 1918.9705 113.1644 -206519.7472 18013.4907 0.0000 0.0000 34523.3175 -149136.6023 301.5007 -183659.9199 -149043.7466 299.3294 101.7732 131.4646 556882.3622 17.1727 17.1406 PRESSURE: 1342400 -180.579 -34.0387 2.54099 -34.0381 -103.378 113.485 2.54119 113.483 22.663 GPRESSURE: 1342400 -82.5938 -112.992 -37.6984 31.4459 -53.0939 54.0542 95.8782 82.4932 -29.2835 PRESSAVG: 1342400 15.992 16.998 23.6011 16.9979 27.5823 12.1978 23.6012 12.1978 -63.4992 GPRESSAVG: 1342400 15.9442 17.0686 23.4999 17.8216 28.2801 11.7129 23.9371 11.1875 -63.6945 TIMING: 1342400 CPU: 3991.22, 0.00298132/step Wall: 3991.22, 0.00298132/step, 3.02902 hours remaining, 206.503906 MB of memory in use. ENERGY: 1342400 708.7287 2096.9772 1970.5665 122.0418 -205949.9984 17559.6059 0.0000 0.0000 34394.0390 -149098.0393 300.3717 -183492.0783 -149003.4407 299.9605 -87.0980 -54.9904 558203.4726 -6.6417 -6.4901 PRESSURE: 1342600 50.0286 44.1234 130.238 44.123 65.3812 70.8296 130.237 70.8298 4.25453 GPRESSURE: 1342600 97.6656 110.496 97.3245 -30.6009 97.6942 140.727 144.518 53.8927 27.9691 PRESSAVG: 1342600 27.7721 -22.9496 -12.9765 -22.9496 -11.8921 5.23947 -12.9763 5.23946 -36.1883 GPRESSAVG: 1342600 28.8058 -20.3885 -14.4663 -24.2895 -12.6479 4.8715 -11.1272 7.15874 -36.0436 TIMING: 1342600 CPU: 3991.81, 0.00298933/step Wall: 3991.81, 0.00298933/step, 3.03699 hours remaining, 206.503906 MB of memory in use. ENERGY: 1342600 734.8753 2127.7913 1963.7822 118.2471 -205752.8394 17735.1806 0.0000 0.0000 34057.2370 -149015.7258 297.4303 -183072.9629 -148917.3711 299.4475 39.8881 74.4430 558247.1923 -6.7694 -6.6285 PRESSURE: 1342800 -111.983 -65.2058 110.721 -65.2056 241.621 154.245 110.721 154.244 -3.5406 GPRESSURE: 1342800 -18.8376 -15.1841 11.7779 -173.04 201.367 154.438 147.869 -35.4333 51.1634 PRESSAVG: 1342800 8.05868 39.8515 18.4135 39.8516 53.2862 -15.7097 18.4135 -15.7098 -55.4671 GPRESSAVG: 1342800 7.38332 38.8187 19.5575 38.947 53.7224 -16.0749 17.7321 -18.282 -54.7301 TIMING: 1342800 CPU: 3992.41, 0.00296792/step Wall: 3992.41, 0.00296792/step, 3.01507 hours remaining, 206.503906 MB of memory in use. ENERGY: 1342800 730.5663 2093.8792 1963.4772 117.1955 -206134.8085 17751.9784 0.0000 0.0000 34524.2543 -148953.4576 301.5089 -183477.7119 -148873.1894 299.3474 42.0327 77.8977 557047.1509 1.9593 2.1252 PRESSURE: 1343000 186.048 24.1059 51.8418 24.1052 -168.504 49.1836 51.8419 49.1841 -22.0406 GPRESSURE: 1343000 205.759 95.0667 67.1493 -51.7068 -123.921 76.249 53.407 12.3473 16.3334 PRESSAVG: 1343000 47.4069 15.5973 33.4725 15.5972 67.5336 -66.1717 33.4724 -66.1717 -67.1716 GPRESSAVG: 1343000 47.7678 15.2873 35.1365 18.0541 67.98 -64.7036 32.9826 -65.7623 -68.5753 TIMING: 1343000 CPU: 3993, 0.0029836/step Wall: 3993, 0.0029836/step, 3.03084 hours remaining, 206.503906 MB of memory in use. ENERGY: 1343000 764.0906 2098.1362 1904.5581 112.7772 -205953.1508 17719.0638 0.0000 0.0000 34348.6411 -149005.8840 299.9752 -183354.5250 -148911.8570 300.0530 -1.4988 32.7236 556631.6207 15.9230 15.7242 PRESSURE: 1343200 94.7282 112.644 -116.51 112.646 34.0275 55.812 -116.51 55.8111 12.5307 GPRESSURE: 1343200 145.613 -20.7596 -160.872 139.385 83.0156 115.247 14.1038 25.9989 7.88355 PRESSAVG: 1343200 -10.8757 12.3637 19.6608 12.3637 11.0271 -2.71766 19.6608 -2.7176 20.5148 GPRESSAVG: 1343200 -9.72557 12.0477 16.9723 11.3978 10.4213 -3.2129 20.8804 -2.61541 20.3813 TIMING: 1343200 CPU: 3993.6, 0.00299001/step Wall: 3993.6, 0.00299001/step, 3.03719 hours remaining, 206.503906 MB of memory in use. ENERGY: 1343200 756.5156 2128.1637 1934.9824 118.2478 -206081.0261 17864.1483 0.0000 0.0000 34363.8976 -148915.0706 300.1085 -183278.9682 -148818.5845 300.3827 47.0955 78.8373 556931.2443 6.8888 7.0257 PRESSURE: 1343400 139.366 -20.9115 102.463 -20.9112 -247.127 -32.8153 102.463 -32.8149 35.6691 GPRESSURE: 1343400 185.492 -29.3807 91.1117 -101.363 -221.25 19.2882 53.3007 -165.561 56.1233 PRESSAVG: 1343400 -32.6563 -4.75314 10.695 -4.75306 -48.4269 -7.35328 10.6949 -7.35323 41.6984 GPRESSAVG: 1343400 -33.9494 -5.47702 10.7477 -4.45556 -48.4729 -7.27451 9.77775 -9.49291 42.1473 TIMING: 1343400 CPU: 3994.2, 0.00296411/step Wall: 3994.2, 0.00296411/step, 3.01071 hours remaining, 206.503906 MB of memory in use. ENERGY: 1343400 746.2732 2148.7526 1961.8153 96.0038 -205877.9194 17536.6367 0.0000 0.0000 34314.4590 -149073.9788 299.6767 -183388.4378 -148979.1044 300.1457 -24.0306 6.7886 556514.6327 -13.1283 -13.4250 PRESSURE: 1343600 94.1826 -55.8584 3.89788 -55.8582 16.0058 62.7362 3.89811 62.7358 -32.0689 GPRESSURE: 1343600 172.323 -35.31 33.2024 -83.2218 34.0576 16.404 -80.9565 50.9778 -29.3857 PRESSAVG: 1343600 41.7275 -19.6192 8.30029 -19.6193 -16.8919 -56.3199 8.30031 -56.3198 -24.0802 GPRESSAVG: 1343600 41.4614 -19.844 9.61366 -19.215 -17.2198 -57.5761 8.09025 -53.0202 -23.5541 TIMING: 1343600 CPU: 3994.79, 0.00296131/step Wall: 3994.79, 0.00296131/step, 3.00771 hours remaining, 206.503906 MB of memory in use. ENERGY: 1343600 716.7102 2075.8845 1938.8334 101.7612 -205979.7811 17781.2755 0.0000 0.0000 34356.0030 -149009.3133 300.0395 -183365.3163 -148912.0915 299.6178 26.0398 58.9985 558208.3235 0.2518 0.2291 PRESSURE: 1343800 -199.718 12.7748 74.4479 12.7758 314.251 -132.453 74.4488 -132.453 76.6232 GPRESSURE: 1343800 -141.696 14.8957 142.114 18.406 300.28 -97.2784 61.4833 -122.115 123.588 PRESSAVG: 1343800 -17.5778 -62.3517 13.1065 -62.3518 -17.1431 -22.7136 13.1065 -22.7136 59.0996 GPRESSAVG: 1343800 -16.2983 -61.7694 14.723 -63.6126 -17.097 -20.132 11.6068 -25.0307 57.7516 TIMING: 1343800 CPU: 3995.38, 0.00297309/step Wall: 3995.38, 0.00297309/step, 3.0195 hours remaining, 206.503906 MB of memory in use. ENERGY: 1343800 742.5112 2149.3267 1941.7575 118.0009 -206304.8881 17932.3179 0.0000 0.0000 34146.6908 -149274.2830 298.2115 -183420.9739 -149173.2443 299.3729 63.7187 94.0573 557031.6940 8.1262 8.1188 PRESSURE: 1344000 175.245 40.0569 2.42454 40.0577 371.182 115.125 2.42501 115.125 42.299 GPRESSURE: 1344000 247.019 91.5057 -31.3448 2.97082 373.349 122.148 36.6912 82.5373 62.6831 PRESSAVG: 1344000 -55.5241 4.55734 -22.5547 4.55734 57.1853 -6.20466 -22.5546 -6.20462 -53.579 GPRESSAVG: 1344000 -55.8816 4.35529 -24.0103 4.56631 58.0781 -6.75054 -20.7051 -6.06769 -53.8447 TIMING: 1344000 CPU: 3995.98, 0.0029835/step Wall: 3995.98, 0.0029835/step, 3.02991 hours remaining, 206.503906 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: 1344000 719.9607 2153.9010 1967.4655 125.5597 -206542.5623 18058.7986 0.0000 0.0000 34255.4226 -149261.4543 299.1611 -183516.8769 -149166.6932 299.0436 196.2419 227.6836 556948.7411 -17.3059 -17.2161 PRESSURE: 1344200 -154.207 65.3348 142.177 65.3339 59.0068 76.7869 142.178 76.7861 -191.869 GPRESSURE: 1344200 -70.9573 58.9154 165.097 55.135 100.48 99.0389 87.0259 58.7158 -212.706 PRESSAVG: 1344200 -67.3284 -49.5443 -0.0930338 -49.5444 23.0002 17.047 -0.0930776 17.047 70.2866 GPRESSAVG: 1344200 -67.2286 -49.5827 -0.961686 -48.5355 22.8911 17.2241 0.0792939 17.4003 70.121 TIMING: 1344200 CPU: 3996.57, 0.00297825/step Wall: 3996.57, 0.00297825/step, 3.02441 hours remaining, 206.503906 MB of memory in use. ENERGY: 1344200 758.0687 2123.3830 1916.0368 116.6187 -206167.9549 17702.8117 0.0000 0.0000 34277.5047 -149273.5312 299.3540 -183551.0360 -149172.8892 299.3878 -95.6897 -61.0611 558119.6737 8.6528 8.5945 LDB: ============= START OF LOAD BALANCING ============== 4000 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4000 LDB: =============== DONE WITH MIGRATION ================ 4000 LDB: ============= START OF LOAD BALANCING ============== 4000.3 LDB: Largest compute 4821 load 0.032475 is 27.5% of average load 0.118040 LDB: Average compute 0.001712 is 1.5% of average load 0.118040 LDB: TIME 4000.31 LOAD: AVG 0.11804 MAX 0.197975 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.535 MB LDB: TIME 4000.31 LOAD: AVG 0.11804 MAX 0.197975 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.535 MB LDB: TIME 4000.31 LOAD: AVG 0.11804 MAX 0.197975 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.535 MB LDB: ============== END OF LOAD BALANCING =============== 4000.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4000.31 PRESSURE: 1344400 -157.732 82.7598 28.7408 82.7599 -260.456 203.756 28.7409 203.756 -80.9441 GPRESSURE: 1344400 -131.563 61.0488 -64.9211 48.2589 -242.466 175.48 -12.1597 141.698 -30.5198 PRESSAVG: 1344400 -35.3725 6.06853 3.77561 6.06858 14.9644 30.5222 3.77556 30.5222 32.4923 GPRESSAVG: 1344400 -35.7784 6.48981 4.3311 6.01997 14.0057 30.8862 3.27128 29.1772 33.5878 TIMING: 1344400 CPU: 3997.18, 0.00304243/step Wall: 3997.18, 0.00304243/step, 3.08942 hours remaining, 206.566406 MB of memory in use. ENERGY: 1344400 773.2509 2137.6453 1939.8723 122.6513 -205892.3317 17650.4911 0.0000 0.0000 34138.5992 -149129.8216 298.1409 -183268.4207 -149039.7223 299.4986 -166.3773 -134.8494 558887.9855 4.0281 3.9384 PRESSURE: 1344600 -228.587 1.66192 46.8103 1.66217 -254.875 -25.2866 46.8093 -25.2858 -191.046 GPRESSURE: 1344600 -209.294 -42.1921 43.3225 -44.4148 -224.712 -27.219 -10.4746 48.2505 -145.84 PRESSAVG: 1344600 -2.27275 12.4216 -12.964 12.4216 8.436 -32.7432 -12.9641 -32.7432 15.1154 GPRESSAVG: 1344600 -2.49616 9.92735 -13.2905 13.3427 9.07062 -36.2261 -13.2615 -30.7829 14.1999 TIMING: 1344600 CPU: 3997.78, 0.00299962/step Wall: 3997.78, 0.00299962/step, 3.04578 hours remaining, 206.769531 MB of memory in use. ENERGY: 1344600 840.7621 2060.2205 1924.1152 120.7665 -206189.0887 17901.0598 0.0000 0.0000 34245.2979 -149096.8666 299.0727 -183342.1645 -149007.7134 299.3320 -224.8362 -193.2819 559241.6894 7.0929 6.9248 PRESSURE: 1344800 -138.156 -19.5584 22.4529 -19.5583 120.146 -220.205 22.4525 -220.206 -71.4295 GPRESSURE: 1344800 -114.442 -12.686 73.6994 31.8831 151.024 -369.784 83.1935 -170.925 -27.4506 PRESSAVG: 1344800 25.1838 -0.244053 -10.2664 -0.24394 -96.5997 -44.8347 -10.2665 -44.8347 28.4838 GPRESSAVG: 1344800 23.9453 0.757083 -9.92441 -0.776159 -95.6312 -45.0607 -9.98717 -44.1729 29.148 TIMING: 1344800 CPU: 3998.38, 0.00297462/step Wall: 3998.38, 0.00297462/step, 3.02023 hours remaining, 206.769531 MB of memory in use. ENERGY: 1344800 747.5877 2070.7356 1934.4171 133.0311 -206109.5910 17771.2211 0.0000 0.0000 34475.4141 -148977.1842 301.0824 -183452.5983 -148881.1642 300.4018 -29.8131 3.0437 558443.9783 -14.3107 -14.1793 PRESSURE: 1345000 78.5812 143.114 -113.161 143.114 184.336 -157.709 -113.16 -157.709 175.493 GPRESSURE: 1345000 116.941 132.851 -107.888 60.198 201.996 -78.0454 -169.141 -210.598 199.788 PRESSAVG: 1345000 -13.3947 37.9128 -64.9965 37.9128 -9.92502 -71.2185 -64.9965 -71.2185 -13.1108 GPRESSAVG: 1345000 -12.3984 35.688 -64.4747 38.5498 -11.7994 -70.6298 -64.9448 -72.5316 -12.6021 TIMING: 1345000 CPU: 3998.98, 0.00299565/step Wall: 3998.98, 0.00299565/step, 3.04142 hours remaining, 206.769531 MB of memory in use. ENERGY: 1345000 752.7560 2056.5072 1968.0471 122.4747 -206199.3409 17841.4976 0.0000 0.0000 34506.6861 -148951.3721 301.3555 -183458.0582 -148853.9733 300.0811 146.1370 172.9084 556220.4501 -12.1435 -12.2666 PRESSURE: 1345200 94.689 33.4396 124.995 33.4401 142.712 119.698 124.995 119.698 227.742 GPRESSURE: 1345200 161.953 37.8049 94.612 158.467 120.637 85.4757 172.582 72.0449 286.402 PRESSAVG: 1345200 5.71062 44.2779 -19.6945 44.2779 4.94806 2.33227 -19.6946 2.33226 33.5501 GPRESSAVG: 1345200 6.15222 48.031 -18.9554 43.3753 5.13762 2.79842 -22.4345 2.85138 32.8835 TIMING: 1345200 CPU: 3999.58, 0.0030195/step Wall: 3999.58, 0.0030195/step, 3.06546 hours remaining, 206.769531 MB of memory in use. ENERGY: 1345200 781.1803 2131.9897 1959.4614 101.5304 -206419.2048 18159.4985 0.0000 0.0000 34368.2714 -148917.2732 300.1467 -183285.5446 -148823.6450 300.9670 155.0478 189.6642 555606.8795 14.7363 14.7245 PRESSURE: 1345400 -12.0335 -184.549 88.7131 -184.55 -205.26 -121.416 88.7126 -121.416 299.058 GPRESSURE: 1345400 32.9423 -239.016 102.663 -174.628 -178.724 -95.9739 117.786 -143.994 328.356 PRESSAVG: 1345400 49.3176 -19.4311 -31.8486 -19.4312 -122.195 -15.3382 -31.8486 -15.3383 79.4271 GPRESSAVG: 1345400 49.4901 -21.0687 -31.0776 -18.0454 -122.621 -16.2398 -29.8309 -16.1998 79.5652 TIMING: 1345400 CPU: 4000.18, 0.00298965/step Wall: 4000.18, 0.00298965/step, 3.035 hours remaining, 206.769531 MB of memory in use. ENERGY: 1345400 699.6485 2136.7024 1962.3943 97.5380 -205975.2185 17714.9588 0.0000 0.0000 34362.6679 -149001.3086 300.0977 -183363.9764 -148907.8785 300.3800 27.2549 60.8582 557404.9653 2.1831 2.1447 PRESSURE: 1345600 113.091 -12.8959 -2.7686 -12.8947 26.9823 -151.25 -2.76685 -151.248 72.5139 GPRESSURE: 1345600 171.171 -50.633 -43.4654 -9.96369 74.8479 -99.5934 -1.7394 -78.4675 67.8884 PRESSAVG: 1345600 -11.7793 16.3459 4.31856 16.3459 -59.743 -34.1763 4.31845 -34.1763 81.1039 GPRESSAVG: 1345600 -12.2818 15.4469 4.4803 15.0412 -59.5872 -33.4409 3.91336 -33.3356 81.2069 TIMING: 1345600 CPU: 4000.78, 0.0029832/step Wall: 4000.78, 0.0029832/step, 3.02828 hours remaining, 206.769531 MB of memory in use. ENERGY: 1345600 712.9284 2104.6437 1924.1389 114.8753 -205891.0711 17712.6967 0.0000 0.0000 34492.9804 -148828.8078 301.2358 -183321.7881 -148731.6514 300.1762 70.8624 104.6358 557144.4854 3.1939 3.1127 PRESSURE: 1345800 -57.486 64.9585 54.4088 64.9592 -15.0143 -111.437 54.4091 -111.436 -290.749 GPRESSURE: 1345800 -68.8454 -8.00556 88.5129 123.132 22.9793 -58.5078 52.8744 -190.753 -216.902 PRESSAVG: 1345800 38.2819 43.9795 14.3656 43.9795 -48.1481 -21.5175 14.3655 -21.5175 -8.91765 GPRESSAVG: 1345800 37.566 46.4371 12.4729 44.6972 -47.2532 -23.6041 14.3622 -21.4508 -8.61519 TIMING: 1345800 CPU: 4001.37, 0.00297365/step Wall: 4001.37, 0.00297365/step, 3.01842 hours remaining, 206.769531 MB of memory in use. ENERGY: 1345800 749.3129 2094.5026 1954.2643 105.7976 -205866.1966 17507.8021 0.0000 0.0000 34454.7330 -148999.7840 300.9018 -183454.5171 -148901.5346 300.3390 -121.0832 -87.5894 557630.4928 -6.2613 -6.1008 PRESSURE: 1346000 45.0696 38.3574 -5.10556 38.3589 64.5323 -63.0545 -5.10498 -63.0556 133.619 GPRESSURE: 1346000 43.4805 138.318 61.6533 0.0530355 145.244 -88.0831 -80.4745 -73.2547 141.547 PRESSAVG: 1346000 49.6018 64.4918 14.9441 64.4918 -20.2471 53.409 14.9441 53.409 10.4645 GPRESSAVG: 1346000 50.6559 63.9585 15.9434 63.5381 -20.555 54.3968 16.2896 53.2137 9.25546 TIMING: 1346000 CPU: 4001.97, 0.00300244/step Wall: 4001.97, 0.00300244/step, 3.04748 hours remaining, 206.769531 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: 1346000 705.0934 2041.3266 1970.2243 117.3234 -205872.7574 17711.3088 0.0000 0.0000 34295.9649 -149031.5160 299.5152 -183327.4809 -148935.8320 300.3729 81.0738 110.0904 556812.3001 13.2731 13.1188 PRESSURE: 1346200 50.3175 38.7991 9.45747 38.7999 -82.7845 100.278 9.45839 100.28 101.348 GPRESSURE: 1346200 22.3617 75.0519 51.3504 -19.4498 -14.3394 43.8773 -64.5525 32.9228 159.746 PRESSAVG: 1346200 40.519 16.3451 -7.52783 16.3452 -43.9521 31.4929 -7.52781 31.4929 25.3062 GPRESSAVG: 1346200 40.1888 16.7981 -5.88374 14.2102 -43.9457 32.957 -10.5719 30.7023 25.6268 TIMING: 1346200 CPU: 4002.57, 0.00299838/step Wall: 4002.57, 0.00299838/step, 3.04319 hours remaining, 206.769531 MB of memory in use. ENERGY: 1346200 774.5185 2047.5397 1949.0769 118.2068 -206141.0700 17827.2344 0.0000 0.0000 34375.0174 -149049.4764 300.2056 -183424.4938 -148956.9758 299.9978 22.9602 55.9228 557041.1866 7.2911 7.2900 PRESSURE: 1346400 58.7704 54.8987 105.859 54.8991 -199.461 114.58 105.859 114.582 -58.1005 GPRESSURE: 1346400 110.286 23.2867 78.1291 -16.6908 -165.822 117.892 96.911 140.594 -30.8049 PRESSAVG: 1346400 28.3554 39.9851 -14.9799 39.985 -34.0059 59.7316 -14.98 59.7316 -22.9327 GPRESSAVG: 1346400 28.3755 40.766 -17.7567 40.4334 -33.7349 60.767 -11.2448 60.6635 -22.6729 TIMING: 1346400 CPU: 4003.17, 0.00299267/step Wall: 4003.17, 0.00299267/step, 3.03723 hours remaining, 206.769531 MB of memory in use. ENERGY: 1346400 743.1545 2053.7037 1973.6905 113.1213 -205844.6886 17592.1626 0.0000 0.0000 34478.0940 -148890.7619 301.1058 -183368.8560 -148793.8297 299.7200 -66.2638 -28.7800 557751.6295 -9.5277 -9.3441 PRESSURE: 1346600 -202.308 -70.7605 19.1722 -70.7597 -183.965 57.9172 19.1721 57.9181 -30.739 GPRESSURE: 1346600 -153.05 -44.4488 -86.5978 -102.144 -136.671 -0.0286498 75.9186 110.56 -29.6473 PRESSAVG: 1346600 106.362 12.5105 45.581 12.5105 -48.3458 29.3333 45.5811 29.3333 -10.8983 GPRESSAVG: 1346600 107.597 12.6462 45.3107 14.5339 -49.3658 28.0371 44.6309 28.9979 -10.9105 TIMING: 1346600 CPU: 4003.77, 0.00300992/step Wall: 4003.77, 0.00300992/step, 3.05456 hours remaining, 206.769531 MB of memory in use. ENERGY: 1346600 749.1618 2024.8010 1980.6640 107.3853 -205850.0470 17603.8763 0.0000 0.0000 34546.2590 -148837.8995 301.7011 -183384.1586 -148738.6274 300.0406 -139.0040 -106.4562 557401.3657 15.7059 15.7734 PRESSURE: 1346800 -109.958 -59.1282 55.6153 -59.1284 -101.222 -14.4921 55.6156 -14.491 -123.188 GPRESSURE: 1346800 -111.515 -9.28515 14.7436 -76.9086 -89.6089 -19.9175 59.2392 -21.4616 -20.9397 PRESSAVG: 1346800 -68.4339 -46.2465 99.1715 -46.2464 12.5354 -4.31946 99.1715 -4.31943 42.3975 GPRESSAVG: 1346800 -68.5198 -46.5337 99.4406 -46.7477 12.7408 -5.45599 98.5383 -4.03242 42.4644 TIMING: 1346800 CPU: 4004.36, 0.00296514/step Wall: 4004.36, 0.00296514/step, 3.00896 hours remaining, 206.769531 MB of memory in use. ENERGY: 1346800 696.0188 2078.7925 1923.4746 107.0713 -205835.0601 17732.5146 0.0000 0.0000 34463.3749 -148833.8133 300.9772 -183297.1882 -148733.5956 300.5424 -111.4561 -74.0214 558665.9137 -4.5003 -4.4382 PRESSURE: 1347000 -265.45 -18.0979 -84.932 -18.0982 -154.757 -8.29048 -84.933 -8.2917 -114.461 GPRESSURE: 1347000 -249.601 -30.3938 -113.796 2.42228 -115.185 -106.417 -28.3561 60.0601 -70.1599 PRESSAVG: 1347000 -13.6048 22.0429 29.1836 22.0428 -18.1065 23.057 29.1835 23.0568 29.312 GPRESSAVG: 1347000 -13.9489 19.0448 29.257 22.1491 -16.8026 22.8572 29.9911 20.7552 28.4913 TIMING: 1347000 CPU: 4004.96, 0.00296105/step Wall: 4004.96, 0.00296105/step, 3.00464 hours remaining, 206.769531 MB of memory in use. ENERGY: 1347000 763.9466 2034.4719 1950.2683 115.4923 -205422.1278 17436.0560 0.0000 0.0000 34275.2154 -148846.6774 299.3340 -183121.8928 -148752.8528 300.1811 -178.2228 -144.9818 559072.4447 -0.7998 -0.7534 PRESSURE: 1347200 -81.5974 94.5144 19.7801 94.5148 -72.5011 -5.8356 19.7799 -5.83586 68.0051 GPRESSURE: 1347200 -42.009 131.505 33.5133 -6.86684 5.06384 20.0034 70.2686 -89.1726 49.9027 PRESSAVG: 1347200 -65.4735 15.0902 5.90284 15.0902 11.4401 -48.2952 5.90278 -48.2952 28.2738 GPRESSAVG: 1347200 -65.842 15.5511 6.60236 15.34 9.72672 -48.334 4.69451 -46.265 29.9409 TIMING: 1347200 CPU: 4005.56, 0.00299736/step Wall: 4005.56, 0.00299736/step, 3.04133 hours remaining, 206.769531 MB of memory in use. ENERGY: 1347200 749.4539 2103.9467 1930.9028 101.5448 -205796.3552 17600.7719 0.0000 0.0000 34456.6936 -148853.0415 300.9189 -183309.7351 -148763.2432 300.4976 -28.6978 4.3192 557225.3277 -8.5865 -8.7248 PRESSURE: 1347400 300.167 68.0148 79.1666 68.0145 82.3522 98.6617 79.1658 98.6613 107.492 GPRESSURE: 1347400 296.132 217.285 60.9768 34.3006 133 74.0096 159.934 38.8619 154.194 PRESSAVG: 1347400 -40.9059 72.1883 -10.2234 72.1884 12.3072 29.6804 -10.2233 29.6803 33.6466 GPRESSAVG: 1347400 -39.9789 72.3896 -11.8871 73.4658 12.9252 29.4759 -9.65743 30.984 31.7161 TIMING: 1347400 CPU: 4006.16, 0.00304447/step Wall: 4006.16, 0.00304447/step, 3.08895 hours remaining, 206.769531 MB of memory in use. ENERGY: 1347400 746.7098 2099.6727 1935.6632 117.2132 -206074.5050 17967.6055 0.0000 0.0000 34182.2794 -149025.3611 298.5223 -183207.6405 -148927.5597 299.6473 163.3371 194.4419 556498.7533 1.6827 1.5541 PRESSURE: 1347600 60.6896 97.2526 141.205 97.2527 -278.708 99.0852 141.206 99.0854 41.1191 GPRESSURE: 1347600 48.1299 67.4658 142.484 151.32 -245.155 135.428 201.333 76.0438 127.4 PRESSAVG: 1347600 46.8216 128.242 82.7315 128.242 -40.0631 73.4098 82.7315 73.4099 -13.0902 GPRESSAVG: 1347600 46.0059 130.058 83.3807 127.137 -40.5737 74.2073 83.2839 73.0812 -11.4783 TIMING: 1347600 CPU: 4006.77, 0.00302385/step Wall: 4006.77, 0.00302385/step, 3.06786 hours remaining, 206.769531 MB of memory in use. ENERGY: 1347600 761.5588 2060.0623 1955.3482 103.1046 -205995.0583 17755.7941 0.0000 0.0000 34311.7096 -149047.4807 299.6527 -183359.1903 -148950.2821 299.5961 -58.9665 -23.2084 558252.7424 -2.1106 -2.0154 PRESSURE: 1347800 229.449 -109.087 -259.558 -109.087 72.2355 56.8241 -259.558 56.8241 -69.553 GPRESSURE: 1347800 293.187 -151.004 -193.522 -135.286 84.7372 3.51418 -212.366 104.239 -49.0493 PRESSAVG: 1347800 39.3268 18.0455 25.3167 18.0455 -75.6523 2.82063 25.3167 2.82069 38.9431 GPRESSAVG: 1347800 40.1591 15.5627 23.9505 17.6441 -76.3933 1.41704 25.5187 3.34184 38.6675 TIMING: 1347800 CPU: 4007.36, 0.00297529/step Wall: 4007.36, 0.00297529/step, 3.01843 hours remaining, 206.769531 MB of memory in use. ENERGY: 1347800 735.5389 2055.7365 1970.4208 109.7994 -206291.5155 18016.0013 0.0000 0.0000 34264.0570 -149139.9616 299.2365 -183404.0186 -149044.4048 299.2741 77.3771 109.6251 558777.0704 0.8726 0.8111 PRESSURE: 1348000 -132.568 189.534 24.1886 189.534 -32.2669 113.885 24.1887 113.885 -37.3396 GPRESSURE: 1348000 -33.3219 111.904 19.7915 216.085 -6.49369 52.8255 49.4392 -18.7619 -39.3939 PRESSAVG: 1348000 7.01027 -22.3805 57.5049 -22.3806 -23.7477 -30.4731 57.5048 -30.4731 10.7638 GPRESSAVG: 1348000 5.74317 -21.852 59.0168 -21.951 -21.1111 -29.7069 56.7351 -32.8119 9.36003 TIMING: 1348000 CPU: 4007.96, 0.00298617/step Wall: 4007.96, 0.00298617/step, 3.02931 hours remaining, 206.769531 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: 1348000 708.5665 2062.2695 1960.5110 111.3441 -206020.0083 17830.6414 0.0000 0.0000 34280.8734 -149065.8024 299.3834 -183346.6758 -148976.9413 299.1621 -67.3916 -26.4032 558019.0914 -1.9912 -2.0026 PRESSURE: 1348200 -117.489 -162.663 44.6496 -162.662 -22.6097 -177.021 44.6507 -177.022 -6.78099 GPRESSURE: 1348200 -94.3909 -74.2691 28.1511 -160.228 -30.6379 -109.173 5.67264 -167.079 69.3389 PRESSAVG: 1348200 4.4941 17.701 27.6086 17.701 21.6964 -9.52222 27.6087 -9.52233 16.8589 GPRESSAVG: 1348200 6.03671 19.3865 28.3631 14.9101 21.5039 -9.00513 26.2169 -8.00683 15.8311 TIMING: 1348200 CPU: 4008.56, 0.00299356/step Wall: 4008.56, 0.00299356/step, 3.03663 hours remaining, 206.769531 MB of memory in use. ENERGY: 1348200 703.2469 2128.5878 1954.9358 110.7158 -206094.2818 17877.0357 0.0000 0.0000 34325.7524 -148994.0073 299.7753 -183319.7598 -148901.9540 298.8904 -48.9598 -18.5633 559709.3449 14.3498 14.4572 LDB: ============= START OF LOAD BALANCING ============== 4011.99 LDB: ============== END OF LOAD BALANCING =============== 4011.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4011.99 LDB: ============= START OF LOAD BALANCING ============== 4012.29 LDB: Largest compute 4821 load 0.030937 is 26.2% of average load 0.118106 LDB: Average compute 0.001719 is 1.5% of average load 0.118106 LDB: TIME 4012.29 LOAD: AVG 0.118106 MAX 0.196073 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.93 MB LDB: TIME 4012.29 LOAD: AVG 0.118106 MAX 0.196073 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: TIME 4012.29 LOAD: AVG 0.118106 MAX 0.196073 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: ============== END OF LOAD BALANCING =============== 4012.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4012.3 PRESSURE: 1348400 -141.846 54.8894 -22.2004 54.8888 -1.60052 -64.2004 -22.2005 -64.1987 42.7715 GPRESSURE: 1348400 -113.049 89.7113 -25.269 -79.8903 46.4721 -96.5898 -59.0546 -70.3015 64.4935 PRESSAVG: 1348400 -11.1141 21.5267 -28.165 21.5268 -77.554 48.3992 -28.1651 48.3992 79.9439 GPRESSAVG: 1348400 -10.8192 21.784 -27.6206 21.2756 -77.7043 48.7579 -28.338 46.6613 80.2109 TIMING: 1348400 CPU: 4009.17, 0.00304513/step Wall: 4009.17, 0.00304513/step, 3.08878 hours remaining, 206.386719 MB of memory in use. ENERGY: 1348400 760.1825 2094.0923 1932.9401 104.1673 -206190.2198 17871.2837 0.0000 0.0000 34365.7986 -149061.7554 300.1251 -183427.5540 -148967.3776 299.5790 -33.5584 -0.6945 558229.7803 -2.9081 -2.7708 PRESSURE: 1348600 -338.719 95.2763 26.7713 95.2779 -31.5976 39.4427 26.7718 39.4448 70.5183 GPRESSURE: 1348600 -241.937 144.848 32.7652 124.52 -32.3972 5.44855 21.1453 28.999 66.3411 PRESSAVG: 1348600 -5.0733 -36.4164 -21.8859 -36.4164 -50.7234 -11.5746 -21.886 -11.5747 74.5446 GPRESSAVG: 1348600 -5.81578 -37.6618 -22.446 -33.5825 -51.0364 -13.6057 -21.3002 -9.59033 75.1614 TIMING: 1348600 CPU: 4009.77, 0.00297872/step Wall: 4009.77, 0.00297872/step, 3.02125 hours remaining, 206.386719 MB of memory in use. ENERGY: 1348600 758.5185 2060.1639 1932.9801 121.0270 -205945.3915 17663.4522 0.0000 0.0000 34272.0489 -149137.2010 299.3063 -183409.2499 -149042.9169 299.2009 -99.9327 -69.3309 558762.1443 6.2493 6.1031 PRESSURE: 1348800 -200.886 -14.1817 -244.334 -14.1829 -169.911 -117.905 -244.335 -117.905 -220.251 GPRESSURE: 1348800 -170.421 41.2516 -227.722 34.348 -152.714 -111.746 -250.84 -117.903 -177.354 PRESSAVG: 1348800 12.9337 44.1506 -55.4398 44.1507 -34.9458 22.2226 -55.4397 22.2225 4.23871 GPRESSAVG: 1348800 12.7655 43.924 -58.4762 44.3848 -34.7174 22.9826 -54.8654 20.7058 3.99607 TIMING: 1348800 CPU: 4010.36, 0.00297304/step Wall: 4010.36, 0.00297304/step, 3.01532 hours remaining, 206.386719 MB of memory in use. ENERGY: 1348800 765.8094 2045.3456 1943.5189 124.8730 -206071.3370 17662.7427 0.0000 0.0000 34180.2897 -149348.7577 298.5050 -183529.0474 -149250.2826 298.9610 -197.0162 -166.8294 558302.4166 -5.9245 -5.9853 PRESSURE: 1349000 168.551 114.63 -8.4656 114.63 104.56 28.7115 -8.46513 28.7122 -2.34721 GPRESSURE: 1349000 228.412 250.631 -3.76437 43.1849 139.352 68.0657 54.3361 -16.5361 -11.3493 PRESSAVG: 1349000 99.9982 25.8472 -27.601 25.8472 -79.6 6.33916 -27.6009 6.33917 -31.632 GPRESSAVG: 1349000 99.978 27.8718 -24.8892 24.0748 -80.2979 7.93675 -28.7873 7.08592 -31.1315 TIMING: 1349000 CPU: 4010.95, 0.0029701/step Wall: 4010.95, 0.0029701/step, 3.01218 hours remaining, 206.386719 MB of memory in use. ENERGY: 1349000 753.8676 2064.9431 1921.6482 116.8345 -206453.8862 17915.6041 0.0000 0.0000 34255.3367 -149425.6521 299.1604 -183680.9888 -149333.6939 298.9751 90.2549 118.8048 556570.7966 -3.7446 -3.8171 PRESSURE: 1349200 -113.794 -52.2877 99.3976 -52.2877 -83.7711 2.97038 99.3984 2.97095 213.507 GPRESSURE: 1349200 -32.9045 -30.6585 118.022 18.5695 -34.8088 53.1948 126.749 9.12871 195.21 PRESSAVG: 1349200 43.8513 -11.142 -22.4092 -11.1421 -13.9765 5.46701 -22.4092 5.46691 -53.7471 GPRESSAVG: 1349200 44.6404 -13 -23.0355 -8.66642 -13.6775 4.90584 -21.3819 6.18013 -54.4207 TIMING: 1349200 CPU: 4011.55, 0.00300065/step Wall: 4011.55, 0.00300066/step, 3.043 hours remaining, 206.386719 MB of memory in use. ENERGY: 1349200 731.5872 2116.3113 1941.1439 109.8364 -206060.0570 17822.0842 0.0000 0.0000 34046.5248 -149292.5693 297.3368 -183339.0940 -149197.3862 298.4624 5.3139 42.4988 557436.8531 -7.9574 -7.8193 PRESSURE: 1349400 -74.135 -49.6006 127.349 -49.6007 -15.8413 -10.4006 127.35 -10.4 80.8132 GPRESSURE: 1349400 -0.282906 -96.8643 168.566 -20.7536 6.07816 -35.7496 134.492 51.962 67.4973 PRESSAVG: 1349400 37.8785 17.898 -15.1311 17.898 11.9848 -1.03561 -15.131 -1.03552 -30.909 GPRESSAVG: 1349400 38.008 18.8521 -16.2445 15.8414 11.7354 -0.445684 -15.7912 -1.14037 -30.5829 TIMING: 1349400 CPU: 4012.15, 0.0029744/step Wall: 4012.15, 0.0029744/step, 3.0162 hours remaining, 206.386719 MB of memory in use. ENERGY: 1349400 789.4615 2135.4937 1945.9155 106.4851 -206300.8907 17850.3070 0.0000 0.0000 34391.1521 -149082.0758 300.3465 -183473.2279 -148988.1028 299.4029 -3.0543 24.4309 557387.1820 6.3181 6.3868 PRESSURE: 1349600 190.924 94.1024 -67.4786 94.1023 -197.361 -67.9901 -67.4788 -67.9891 117.364 GPRESSURE: 1349600 177.701 153.305 -84.1948 106.161 -130.281 -94.2576 -23.5532 -69.8331 146.929 PRESSAVG: 1349600 -2.54874 -17.9892 -37.6297 -17.9891 32.2067 -27.0396 -37.6298 -27.0395 2.97383 GPRESSAVG: 1349600 -2.794 -19.6288 -35.9246 -16.5179 33.7437 -29.0949 -38.1665 -27.0156 2.27748 TIMING: 1349600 CPU: 4012.74, 0.00295933/step Wall: 4012.74, 0.00295933/step, 3.00076 hours remaining, 206.386719 MB of memory in use. ENERGY: 1349600 719.6630 2118.5442 1919.6282 122.5545 -205922.8534 17795.5629 0.0000 0.0000 34296.8913 -148950.0093 299.5233 -183246.9005 -148845.4016 299.3604 36.9756 64.7829 557660.1494 10.8773 11.0757 PRESSURE: 1349800 109.016 -48.0966 149.282 -48.0967 157.241 -98.1023 149.281 -98.1025 362.58 GPRESSURE: 1349800 150.444 -38.3598 175.319 -51.8961 103.555 -27.1518 164.496 -112.436 466.54 PRESSAVG: 1349800 50.5444 30.0908 8.63689 30.0907 -62.0577 6.89776 8.63682 6.89769 9.17465 GPRESSAVG: 1349800 51.4062 29.552 8.1845 28.9808 -62.7964 7.69791 9.55412 7.06773 8.86524 TIMING: 1349800 CPU: 4013.33, 0.00296702/step Wall: 4013.33, 0.00296702/step, 3.00839 hours remaining, 206.386719 MB of memory in use. ENERGY: 1349800 710.4957 2094.9076 1946.9105 102.0665 -206092.2929 18056.1023 0.0000 0.0000 34281.9783 -148899.8320 299.3930 -183181.8103 -148803.7091 300.3688 209.6121 240.1796 558807.3788 -0.7796 -0.8416 PRESSURE: 1350000 -22.4151 92.5709 171.581 92.5709 51.0332 32.9041 171.581 32.9037 171.202 GPRESSURE: 1350000 17.6404 112.829 205.703 109.949 16.0823 -0.240123 142.05 71.7563 258.338 PRESSAVG: 1350000 19.2832 9.10488 7.29982 9.10489 -45.8459 5.4406 7.2999 5.44068 52.5165 GPRESSAVG: 1350000 18.331 8.4279 7.12417 9.49889 -45.3175 5.64287 6.33061 6.28526 53.3442 TIMING: 1350000 CPU: 4013.93, 0.00296521/step Wall: 4013.93, 0.00296521/step, 3.00639 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: 1350000 758.5425 2099.4964 1934.1101 115.3427 -206455.2928 18056.7342 0.0000 0.0000 34461.3157 -149029.7512 300.9592 -183491.0669 -148928.3832 300.2860 66.6066 97.3537 558767.1872 8.6512 8.7859 PRESSURE: 1350200 -122.178 21.5713 -114.769 21.5713 -110.819 21.9318 -114.769 21.9311 -26.2384 GPRESSURE: 1350200 -93.6292 5.43982 -70.7911 -77.6133 -116.43 -85.1268 -169.591 96.7478 41.5283 PRESSAVG: 1350200 30.3954 45.2284 -13.8188 45.2283 -20.8312 -77.1396 -13.8189 -77.1396 -32.3054 GPRESSAVG: 1350200 30.3891 47.7424 -11.9204 44.4089 -21.294 -77.4586 -14.184 -78.3092 -32.3992 TIMING: 1350200 CPU: 4014.52, 0.00297278/step Wall: 4014.52, 0.00297278/step, 3.0139 hours remaining, 206.386719 MB of memory in use. ENERGY: 1350200 747.7315 2105.5015 1932.8492 123.2334 -206149.4356 17796.6248 0.0000 0.0000 34653.7612 -148789.7340 302.6399 -183443.4953 -148695.5287 300.5972 -86.4119 -56.1771 558045.5703 -7.5804 -7.7680 PRESSURE: 1350400 -153.335 68.6008 -75.7247 68.6001 -285.927 -110.071 -75.7236 -110.072 -139.577 GPRESSURE: 1350400 -148.161 93.0056 -190.836 108.936 -228.784 -80.8447 -19.2717 -110.829 -100.337 PRESSAVG: 1350400 68.3396 -14.8759 -78.8599 -14.8758 0.173588 -1.78086 -78.86 -1.78106 -18.5859 GPRESSAVG: 1350400 68.4076 -16.2517 -80.6012 -14.6667 0.941064 -2.03527 -77.5368 -1.08906 -19.2453 TIMING: 1350400 CPU: 4015.12, 0.00299032/step Wall: 4015.12, 0.00299032/step, 3.03152 hours remaining, 206.386719 MB of memory in use. ENERGY: 1350400 719.1240 2077.6557 1944.2935 114.6326 -206044.9969 17689.9705 0.0000 0.0000 34394.1006 -149105.2201 300.3722 -183499.3206 -149005.2520 300.0165 -192.9462 -159.0943 559869.9589 16.6424 16.7011 PRESSURE: 1350600 1.11758 0.788501 -9.19057 0.786782 -20.3319 44.3569 -9.19071 44.357 22.0102 GPRESSURE: 1350600 88.4393 13.7583 0.541328 39.4586 -32.6806 20.1479 24.3538 141.043 47.2356 PRESSAVG: 1350600 42.122 41.3954 -17.5292 41.3954 -88.2849 -40.3663 -17.5291 -40.3664 -0.662398 GPRESSAVG: 1350600 42.5696 39.7349 -16.2634 43.1313 -89.1249 -38.4059 -18.3458 -41.9089 -0.258693 TIMING: 1350600 CPU: 4015.72, 0.00300172/step Wall: 4015.72, 0.00300172/step, 3.04291 hours remaining, 206.386719 MB of memory in use. ENERGY: 1350600 720.5789 2130.9009 1924.6130 101.6144 -206710.5662 18002.0377 0.0000 0.0000 34490.0122 -149340.8092 301.2099 -183830.8214 -149241.6910 299.5153 0.9319 34.3314 557996.1392 -15.6084 -15.6047 PRESSURE: 1350800 102.187 -50.9109 18.4773 -50.9105 -13.5469 176.267 18.4787 176.266 -145.238 GPRESSURE: 1350800 178.79 -82.7176 -53.521 -101.412 -45.7173 233.766 49.8862 296.964 -94.1222 PRESSAVG: 1350800 16.983 11.1176 -51.4374 11.1176 32.04 6.56831 -51.4375 6.56826 -61.2817 GPRESSAVG: 1350800 17.0014 10.3317 -53.5063 10.4075 31.4802 4.30032 -52.3974 7.43639 -61.3728 TIMING: 1350800 CPU: 4016.31, 0.0029713/step Wall: 4016.31, 0.0029713/step, 3.01191 hours remaining, 206.386719 MB of memory in use. ENERGY: 1350800 757.4189 2199.7139 1927.9127 124.0086 -206208.9191 17731.7282 0.0000 0.0000 34214.7507 -149253.3861 298.8059 -183468.1367 -149163.2620 299.3907 -18.8660 12.9834 557017.9119 -4.0862 -4.2970 PRESSURE: 1351000 169.675 -40.6626 -65.1007 -40.6626 -42.7605 8.36456 -65.0994 8.3645 -258.974 GPRESSURE: 1351000 211.066 -4.37256 -59.5865 21.2433 -20.1773 -121.296 -33.388 47.3667 -220.113 PRESSAVG: 1351000 8.80748 -22.1215 -33.7805 -22.1216 -30.2007 36.0615 -33.7805 36.0614 38.0975 GPRESSAVG: 1351000 8.53779 -18.7036 -33.1894 -23.3928 -29.9287 35.5512 -32.157 36.0904 38.3172 TIMING: 1351000 CPU: 4016.91, 0.00297918/step Wall: 4016.91, 0.00297918/step, 3.01973 hours remaining, 206.386719 MB of memory in use. ENERGY: 1351000 717.1801 2106.6230 1929.0406 118.2514 -205728.1733 17626.1438 0.0000 0.0000 34064.8849 -149166.0496 297.4971 -183230.9345 -149069.3147 298.8099 -44.0199 -9.7414 557484.8548 5.5681 5.6421 PRESSURE: 1351200 181.157 153.785 113.6 153.785 -238.212 -17.0901 113.6 -17.0891 53.1906 GPRESSURE: 1351200 208.601 169.348 118.773 102.647 -195.805 9.31424 69.067 19.4879 91.8751 PRESSAVG: 1351200 50.5239 -22.9082 -29.7021 -22.9081 -80.7195 -53.7342 -29.7021 -53.7341 6.95469 GPRESSAVG: 1351200 51.0506 -23.0097 -30.6283 -23.1499 -80.2739 -53.1445 -29.6172 -54.2661 6.39995 TIMING: 1351200 CPU: 4017.51, 0.00298895/step Wall: 4017.51, 0.00298895/step, 3.02946 hours remaining, 206.386719 MB of memory in use. ENERGY: 1351200 766.0229 2040.4692 1957.9477 108.8559 -206094.5631 17787.7414 0.0000 0.0000 34250.5766 -149182.9494 299.1188 -183433.5261 -149090.0191 299.2375 -1.2881 34.8905 557725.5753 -7.7470 -7.6078 PRESSURE: 1351400 -213.215 -173.52 165.715 -173.521 212.68 -69.2075 165.714 -69.2072 -148.474 GPRESSURE: 1351400 -195.111 -168.979 126.767 -184.611 234.895 -53.7187 107.829 5.24306 -89.597 PRESSAVG: 1351400 -42.8701 29.5227 41.2427 29.5226 2.10817 37.8061 41.2427 37.8061 68.0855 GPRESSAVG: 1351400 -42.06 28.9421 39.7062 29.9597 1.9164 38.2395 40.4834 36.2599 67.5593 TIMING: 1351400 CPU: 4018.11, 0.00299715/step Wall: 4018.11, 0.00299715/step, 3.03761 hours remaining, 206.386719 MB of memory in use. ENERGY: 1351400 780.9039 2085.1537 1954.7305 110.9486 -206624.1605 18057.3012 0.0000 0.0000 34432.6509 -149202.4717 300.7089 -183635.1226 -149107.6943 299.3586 -49.6696 -16.6043 557268.4787 9.1079 9.1385 PRESSURE: 1351600 72.1956 -96.5203 150.991 -96.5194 -101.202 -26.8029 150.992 -26.8039 45.8239 GPRESSURE: 1351600 126.953 -124.209 96.7331 -42.5429 -22.5123 -10.6927 185.406 -77.4929 19.5328 PRESSAVG: 1351600 28.1624 0.173394 40.9694 0.173392 4.93944 -49.7215 40.9693 -49.7215 -19.5707 GPRESSAVG: 1351600 27.6697 0.290474 42.7402 1.74646 5.03063 -50.0452 41.23 -49.7327 -18.4606 TIMING: 1351600 CPU: 4018.71, 0.0030101/step Wall: 4018.71, 0.0030101/step, 3.05057 hours remaining, 206.386719 MB of memory in use. ENERGY: 1351600 718.9776 2092.7198 1936.1448 106.8353 -206461.9826 17827.6240 0.0000 0.0000 34442.8638 -149336.8172 300.7981 -183779.6810 -149232.2940 298.9465 5.6059 41.3243 557311.4272 4.5104 4.7466 PRESSURE: 1351800 296.595 -2.41602 227.319 -2.41482 5.62081 80.5173 227.318 80.5161 -115.538 GPRESSURE: 1351800 270.748 -27.9015 238.183 69.7391 63.9953 131.782 241.259 42.1463 -43.8034 PRESSAVG: 1351800 11.4766 -25.9427 73.5325 -25.9427 -48.837 53.4626 73.5324 53.4626 30.5159 GPRESSAVG: 1351800 11.8004 -23.5616 74.5782 -27.3548 -48.3357 53.5767 71.7667 54.9803 30.3248 TIMING: 1351800 CPU: 4019.31, 0.00302273/step Wall: 4019.31, 0.00302273/step, 3.0632 hours remaining, 206.386719 MB of memory in use. ENERGY: 1351800 742.1262 2114.2382 1935.2021 117.0568 -206443.0846 18060.7948 0.0000 0.0000 34241.0300 -149232.6365 299.0354 -183473.6665 -149134.1413 298.3848 62.2257 96.9800 558033.3200 -2.2815 -2.0702 PRESSURE: 1352000 -13.3985 -68.2792 125.626 -68.2782 -309.034 -90.9363 125.624 -90.9364 -211.027 GPRESSURE: 1352000 24.1129 -149.254 62.8874 -54.8747 -284.277 12.0035 197.964 -95.1841 -175.616 PRESSAVG: 1352000 55.6363 -22.9433 78.2732 -22.9433 -36.5845 -8.53603 78.2733 -8.53616 -8.00817 GPRESSAVG: 1352000 55.2004 -26.3779 77.6334 -21.3205 -35.946 -8.00143 78.4832 -12.0019 -7.38971 TIMING: 1352000 CPU: 4019.92, 0.00302621/step Wall: 4019.92, 0.00302621/step, 3.06656 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: 1352000 731.9292 2186.7835 1929.0303 124.4316 -206000.0488 17594.9577 0.0000 0.0000 34071.1904 -149361.7261 297.5522 -183432.9165 -149270.5303 298.6566 -177.8200 -145.2601 557714.6103 3.6812 3.9549 PRESSURE: 1352200 5.17275 33.5243 -16.8382 33.524 -72.0671 -156.72 -16.8381 -156.719 103.426 GPRESSURE: 1352200 58.5024 -3.72298 96.1891 51.9069 -13.3712 -149.289 -51.6562 -132.56 100.537 PRESSAVG: 1352200 19.1191 3.06373 -8.42176 3.06376 -28.9141 -59.0091 -8.42181 -59.009 12.068 GPRESSAVG: 1352200 21.4198 4.70563 -6.80238 2.64568 -30.7266 -59.7428 -6.95704 -55.6451 11.361 TIMING: 1352200 CPU: 4020.52, 0.00299005/step Wall: 4020.52, 0.00299005/step, 3.02975 hours remaining, 206.386719 MB of memory in use. ENERGY: 1352200 694.7292 2081.9727 1942.2953 102.7854 -206296.3462 17905.1227 0.0000 0.0000 34163.7764 -149405.6645 298.3608 -183569.4409 -149302.6885 298.8287 12.1772 48.5562 558433.5810 0.7577 0.6847 LDB: ============= START OF LOAD BALANCING ============== 4023.95 LDB: ============== END OF LOAD BALANCING =============== 4023.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4023.95 LDB: ============= START OF LOAD BALANCING ============== 4024.25 LDB: Largest compute 4821 load 0.030398 is 25.8% of average load 0.118040 LDB: Average compute 0.001711 is 1.4% of average load 0.118040 LDB: TIME 4024.26 LOAD: AVG 0.11804 MAX 0.196101 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 4024.26 LOAD: AVG 0.11804 MAX 0.196101 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.223 MB LDB: TIME 4024.26 LOAD: AVG 0.11804 MAX 0.196101 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4024.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4024.26 PRESSURE: 1352400 -116.324 93.131 21.2747 93.1321 96.815 -68.0757 21.2754 -68.0748 225.761 GPRESSURE: 1352400 -65.3337 107.145 68.7398 92.2777 139.776 1.50145 -5.86272 -77.6804 244.753 PRESSAVG: 1352400 32.1818 7.5888 22.5993 7.58882 -21.3279 -8.66173 22.5994 -8.66171 -12.061 GPRESSAVG: 1352400 31.0173 6.9506 21.202 8.9362 -21.7829 -5.77133 20.7875 -10.31 -10.8627 TIMING: 1352400 CPU: 4021.13, 0.00308056/step Wall: 4021.13, 0.00308055/step, 3.12129 hours remaining, 205.425781 MB of memory in use. ENERGY: 1352400 751.0039 2101.4437 1957.2941 110.4480 -206539.2034 18003.0613 0.0000 0.0000 34402.3108 -149213.6416 300.4439 -183615.9524 -149117.9095 299.4080 68.7506 106.3984 558317.1414 -0.4024 -0.5428 PRESSURE: 1352600 -190.603 76.5362 126.668 76.5356 48.3978 167.585 126.668 167.586 -221.444 GPRESSURE: 1352600 -155.815 134.882 93.4219 90.8839 87.6913 163.092 125.581 117.694 -201.369 PRESSAVG: 1352600 -44.6497 58.5312 4.08491 58.5313 58.2572 34.9626 4.0848 34.9626 -7.94985 GPRESSAVG: 1352600 -44.9421 58.8088 3.06579 57.6037 59.191 31.8248 4.57628 35.6291 -7.94357 TIMING: 1352600 CPU: 4021.73, 0.00298243/step Wall: 4021.73, 0.00298243/step, 3.0217 hours remaining, 205.425781 MB of memory in use. ENERGY: 1352600 746.7888 2066.8830 1945.4154 113.9209 -206340.8375 17728.9086 0.0000 0.0000 34312.7585 -149426.1623 299.6619 -183738.9208 -149319.5005 298.7032 -121.2164 -89.8309 558522.5535 1.8859 2.1018 PRESSURE: 1352800 -292.443 -142.063 -87.672 -142.062 141.986 32.8873 -87.672 32.8867 -23.1199 GPRESSURE: 1352800 -226.896 -71.4916 -46.3224 -184.461 143.135 -65.3035 -148.171 -10.8779 12.1347 PRESSAVG: 1352800 -53.487 60.9472 -44.9566 60.9472 20.9444 -5.65959 -44.9566 -5.6595 51.4965 GPRESSAVG: 1352800 -53.6044 61.5204 -44.6608 61.2627 23.3344 -6.09982 -44.0572 -4.64771 49.4934 TIMING: 1352800 CPU: 4022.33, 0.00298961/step Wall: 4022.33, 0.00298961/step, 3.02881 hours remaining, 205.425781 MB of memory in use. ENERGY: 1352800 756.0541 2087.4617 1957.7040 121.2566 -206632.8705 17964.4066 0.0000 0.0000 34255.4080 -149490.5795 299.1610 -183745.9875 -149396.3491 298.6642 -57.8591 -23.8755 558118.6700 6.3180 6.4078 PRESSURE: 1353000 180.771 121.283 44.7557 121.283 284.249 -52.1186 44.755 -52.1191 225.635 GPRESSURE: 1353000 216.117 145.381 143.651 78.8531 308.796 -30.9729 -59.2917 -89.9061 256.928 PRESSAVG: 1353000 14.5787 16.5744 5.65622 16.5745 9.35662 -14.6554 5.65621 -14.6554 -70.3196 GPRESSAVG: 1353000 14.9315 15.0773 6.67127 16.2074 8.02639 -13.5953 5.11682 -14.8447 -69.9738 TIMING: 1353000 CPU: 4022.93, 0.0030067/step Wall: 4022.93, 0.0030067/step, 3.04596 hours remaining, 205.425781 MB of memory in use. ENERGY: 1353000 747.9101 2104.7176 1938.0319 99.3236 -206886.3671 18323.6208 0.0000 0.0000 34139.4033 -149533.3597 298.1479 -183672.7630 -149432.9681 298.0576 230.2187 260.6135 557743.2474 -15.4614 -15.6720 PRESSURE: 1353200 -24.9952 75.8798 -81.7181 75.8802 70.5974 14.7655 -81.7195 14.765 -73.5615 GPRESSURE: 1353200 13.7978 86.1016 -68.4831 57.6787 126.853 78.2326 -121.743 62.589 -76.9521 PRESSAVG: 1353200 -14.7188 18.3234 -22.258 18.3233 20.2683 -32.701 -22.258 -32.701 15.7094 GPRESSAVG: 1353200 -14.7184 21.1559 -24.9373 16.8367 18.8511 -33.303 -20.7204 -31.8662 16.4284 TIMING: 1353200 CPU: 4023.53, 0.0029961/step Wall: 4023.53, 0.0029961/step, 3.03505 hours remaining, 205.425781 MB of memory in use. ENERGY: 1353200 764.5636 2167.8659 1964.0875 120.7217 -206812.4290 17982.0351 0.0000 0.0000 34167.0618 -149646.0934 298.3894 -183813.1552 -149543.6120 298.3136 -9.3198 21.2330 557691.7076 7.0863 6.8537 PRESSURE: 1353400 225.125 -147.645 -78.661 -147.646 -149.436 -181.55 -78.6615 -181.55 158.235 GPRESSURE: 1353400 292.066 -67.9711 -72.4964 -151.007 -85.4775 -155.013 -58.6891 -214.511 127.058 PRESSAVG: 1353400 -22.7923 6.86976 47.1444 6.86972 26.008 4.20082 47.1442 4.20069 -28.2683 GPRESSAVG: 1353400 -24.0536 3.47514 49.0584 9.33555 27.2107 5.74509 43.9502 2.70952 -28.7879 TIMING: 1353400 CPU: 4024.13, 0.00298238/step Wall: 4024.13, 0.00298238/step, 3.02099 hours remaining, 205.425781 MB of memory in use. ENERGY: 1353400 747.9068 2149.5712 1951.0021 117.2972 -206920.6881 18104.8963 0.0000 0.0000 34313.0416 -149536.9730 299.6643 -183850.0145 -149437.6735 298.3335 77.9748 111.2154 557795.0707 -8.3509 -8.5436 PRESSURE: 1353600 17.1351 8.56795 -17.5449 8.56882 194.913 19.8611 -17.5458 19.862 167.355 GPRESSURE: 1353600 122.772 61.1241 -9.76783 -4.39932 218.191 -21.4313 -96.089 6.16968 147.656 PRESSAVG: 1353600 59.0548 -9.87734 20.2734 -9.87742 -34.6942 -18.1482 20.2734 -18.1482 -60.1554 GPRESSAVG: 1353600 60.4595 -8.45065 20.5327 -11.487 -36.1593 -20.1084 23.2838 -16.744 -60.099 TIMING: 1353600 CPU: 4024.72, 0.00295064/step Wall: 4024.72, 0.00295064/step, 2.98867 hours remaining, 205.425781 MB of memory in use. ENERGY: 1353600 759.7451 2084.0198 1952.9175 109.1207 -206964.3706 18321.5069 0.0000 0.0000 34326.5179 -149410.5427 299.7820 -183737.0606 -149312.3519 298.8439 126.4676 162.8729 558162.8129 -11.9316 -11.9329 PRESSURE: 1353800 -146.102 -15.2711 112.632 -15.2719 26.0965 -48.9464 112.632 -48.9469 -151.155 GPRESSURE: 1353800 -64.4324 -13.9633 65.3255 -11.4849 -4.24513 53.3178 73.8019 -46.2329 -109.778 PRESSAVG: 1353800 2.88906 -3.77504 33.5655 -3.77518 53.8508 2.42479 33.5655 2.42478 -53.942 GPRESSAVG: 1353800 2.15095 -4.31655 30.871 -3.01557 53.1303 4.79561 33.691 0.879709 -52.8209 TIMING: 1353800 CPU: 4025.31, 0.00299296/step Wall: 4025.31, 0.00299296/step, 3.03137 hours remaining, 205.425781 MB of memory in use. ENERGY: 1353800 755.0294 2096.3097 1934.6756 120.1548 -206045.8503 17790.0578 0.0000 0.0000 33887.0975 -149462.5256 295.9445 -183349.6231 -149366.5428 298.7692 -90.3870 -59.4853 559389.4929 0.9326 0.8201 PRESSURE: 1354000 69.9779 -196.969 91.5173 -196.968 -97.5385 70.5678 91.5182 70.566 -35.9932 GPRESSURE: 1354000 41.0304 -124.944 -1.26926 -221.313 24.5224 31.683 100.06 68.0873 -30.4702 PRESSAVG: 1354000 18.692 1.07342 32.1904 1.07339 -4.71904 9.40452 32.1904 9.40443 14.4528 GPRESSAVG: 1354000 17.1736 0.302862 34.7789 0.227655 -2.67937 8.43352 30.1362 11.272 13.959 TIMING: 1354000 CPU: 4025.91, 0.00299121/step Wall: 4025.91, 0.00299121/step, 3.02944 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: 1354000 769.0969 2130.5500 1951.2364 108.0436 -206318.8899 17887.9584 0.0000 0.0000 33874.2541 -149597.7505 295.8323 -183472.0046 -149499.4707 297.6819 -21.1846 11.6942 557406.6055 9.4752 9.4844 PRESSURE: 1354200 -171.211 -150.315 -42.507 -150.316 -174.681 8.17854 -42.5077 8.17701 -8.59409 GPRESSURE: 1354200 -136.574 -138.874 -60.0666 -145.925 -205.158 -49.0077 -51.721 45.4807 86.6185 PRESSAVG: 1354200 -85.3752 2.49853 43.3377 2.4985 -3.4026 -0.4498 43.3376 -0.449888 77.9385 GPRESSAVG: 1354200 -83.6583 3.507 44.3319 3.05734 -5.5402 -2.07756 41.7704 0.849968 78.1516 TIMING: 1354200 CPU: 4026.51, 0.00298653/step Wall: 4026.51, 0.00298653/step, 3.02452 hours remaining, 205.425781 MB of memory in use. ENERGY: 1354200 772.9020 2091.8651 1972.3228 122.2984 -206519.3954 17797.6059 0.0000 0.0000 34241.8238 -149520.5774 299.0424 -183762.4012 -149425.2040 298.2138 -118.1621 -85.0380 557292.5207 -3.6131 -3.6823 PRESSURE: 1354400 -182.914 -57.0658 -23.7567 -57.0656 -102.643 -71.6328 -23.7569 -71.634 -95.8439 GPRESSURE: 1354400 -150.027 -175.956 14.4202 -43.4547 -68.8834 7.42789 -40.8522 -141.001 -71.0073 PRESSAVG: 1354400 -19.4082 15.6749 4.87236 15.6749 -62.117 33.1301 4.87226 33.13 59.1028 GPRESSAVG: 1354400 -20.5265 14.335 2.36702 17.1428 -61.3205 35.9816 7.62663 31.6 59.6083 TIMING: 1354400 CPU: 4027.11, 0.00300387/step Wall: 4027.11, 0.00300387/step, 3.04192 hours remaining, 205.425781 MB of memory in use. ENERGY: 1354400 754.6401 2101.8776 1910.5789 108.4016 -206052.5499 17733.3232 0.0000 0.0000 34117.3678 -149326.3608 297.9555 -183443.7286 -149232.9804 298.2666 -127.1337 -96.6391 558289.9642 -7.4741 -7.4129 PRESSURE: 1354600 -70.6038 136.408 62.3815 136.408 12.521 -59.9897 62.3813 -59.9901 165.895 GPRESSURE: 1354600 10.8168 90.6334 130.764 90.2456 49.4682 -26.8762 22.4441 -99.392 145.578 PRESSAVG: 1354600 44.6872 49.3432 60.2174 49.3431 -33.117 -38.6055 60.2175 -38.6057 -3.12691 GPRESSAVG: 1354600 44.6825 48.0014 62.4687 47.8998 -32.1059 -38.3758 58.3026 -39.4563 -4.3541 TIMING: 1354600 CPU: 4027.71, 0.00298072/step Wall: 4027.71, 0.00298072/step, 3.01831 hours remaining, 205.425781 MB of memory in use. ENERGY: 1354600 733.2442 2096.8359 1936.8463 108.9738 -206011.8784 17780.8813 0.0000 0.0000 34161.1468 -149193.9502 298.3378 -183355.0969 -149098.3370 298.7208 35.9375 68.6210 557616.8097 2.8144 2.7408 PRESSURE: 1354800 63.5928 87.7472 83.6986 87.7478 118.357 -118.414 83.6972 -118.413 135.58 GPRESSURE: 1354800 46.1656 67.5545 30.6799 34.8368 120.171 -40.9926 124.653 -165.91 233.796 PRESSAVG: 1354800 22.399 25.4758 46.6037 25.4758 -84.1982 -88.4442 46.6037 -88.4442 67.7321 GPRESSAVG: 1354800 22.5177 25.036 44.087 25.2118 -84.8595 -89.4106 48.7505 -86.2316 68.5601 TIMING: 1354800 CPU: 4028.3, 0.00299075/step Wall: 4028.3, 0.00299075/step, 3.0283 hours remaining, 205.425781 MB of memory in use. ENERGY: 1354800 736.2773 2063.7808 1988.2732 103.6065 -205887.5600 17823.1425 0.0000 0.0000 34181.8453 -148990.6344 298.5186 -183172.4797 -148899.3190 299.0311 105.8433 133.3777 558296.5742 1.9776 2.0728 PRESSURE: 1355000 113.919 -71.3929 -98.2255 -71.3932 208.63 73.0821 -98.2241 73.0832 -123.686 GPRESSURE: 1355000 142.163 -40.4119 -85.4169 -117.306 238.128 3.58202 -125.246 146.162 -89.277 PRESSAVG: 1355000 60.8946 23.7952 -13.7876 23.7952 -61.0579 -0.0124265 -13.7875 -0.0123104 58.3724 GPRESSAVG: 1355000 60.9508 26.4862 -10.8556 24.1193 -59.9495 0.844714 -15.112 -0.406294 57.9755 TIMING: 1355000 CPU: 4028.9, 0.00297465/step Wall: 4028.9, 0.00297465/step, 3.01183 hours remaining, 205.425781 MB of memory in use. ENERGY: 1355000 763.5956 2119.7216 1922.7830 98.0530 -206285.1568 18010.6152 0.0000 0.0000 34253.5976 -149116.7908 299.1452 -183370.3884 -149028.0464 299.2190 66.2876 97.0047 557217.8438 19.4030 19.6589 PRESSURE: 1355200 -33.8971 43.56 102.103 43.5604 -415.63 73.8153 102.104 73.8135 -214.495 GPRESSURE: 1355200 5.4168 9.97205 152.267 33.4356 -379.54 46.2634 105.841 45.5754 -174.271 PRESSAVG: 1355200 23.0495 27.5705 5.84315 27.5705 -53.659 -5.22702 5.84318 -5.227 45.151 GPRESSAVG: 1355200 22.4886 28.1373 4.81832 27.1048 -54.1813 -6.35161 6.27748 -5.331 46.2677 TIMING: 1355200 CPU: 4029.5, 0.00298432/step Wall: 4029.5, 0.00298432/step, 3.02146 hours remaining, 205.425781 MB of memory in use. ENERGY: 1355200 747.9364 2003.1765 1929.7259 110.1325 -206027.6600 17790.2099 0.0000 0.0000 34353.4919 -149092.9869 300.0176 -183446.4788 -149001.2986 299.5964 -221.3408 -182.7980 559419.7854 4.8471 4.8583 PRESSURE: 1355400 -192.913 96.5048 35.3789 96.5047 -149.369 4.40482 35.3795 4.40516 170.214 GPRESSURE: 1355400 -177.775 3.72726 -22.0448 226.259 -95.873 -99.6752 1.85961 85.3977 201.341 PRESSAVG: 1355400 6.18023 12.7303 25.555 12.7302 -33.7418 -67.0941 25.5549 -67.094 35.8569 GPRESSAVG: 1355400 6.89262 11.4439 25.3086 13.9966 -34.3559 -66.8071 25.0401 -66.9795 36.599 TIMING: 1355400 CPU: 4030.09, 0.00298332/step Wall: 4030.09, 0.00298332/step, 3.02028 hours remaining, 205.425781 MB of memory in use. ENERGY: 1355400 726.2121 2111.6593 1942.1927 110.3450 -206030.7941 17673.2342 0.0000 0.0000 34227.5423 -149239.6085 298.9176 -183467.1507 -149151.5011 299.1065 -57.3558 -24.1023 558877.8930 2.7651 3.0452 PRESSURE: 1355600 -357.259 -3.3265 -80.4819 -3.3269 -378.043 174.946 -80.481 174.945 -141.975 GPRESSURE: 1355600 -323.648 34.5196 -111.998 21.468 -277.337 148.741 -39.1232 128.199 -185.499 PRESSAVG: 1355600 -2.50459 17.4756 -20.0707 17.4755 -37.5794 5.81865 -20.0706 5.81848 2.03448 GPRESSAVG: 1355600 -2.02027 19.4016 -21.1126 17.2086 -36.7285 6.60933 -19.7754 5.33956 0.539792 TIMING: 1355600 CPU: 4030.69, 0.00300372/step Wall: 4030.69, 0.00300372/step, 3.04076 hours remaining, 205.425781 MB of memory in use. ENERGY: 1355600 767.4464 2075.9030 1972.4532 124.7367 -205730.9962 17499.8470 0.0000 0.0000 34227.8236 -149062.7862 298.9201 -183290.6099 -148966.9344 299.1980 -292.4260 -262.1616 560243.3024 -12.6832 -12.7363 PRESSURE: 1355800 -244.788 161.329 -25.9489 161.328 75.8943 91.4939 -25.9495 91.4923 30.5751 GPRESSURE: 1355800 -140.098 116.162 37.6288 103.503 69.3405 40.4918 -21.3486 95.923 21.1304 PRESSAVG: 1355800 -3.95274 34.0685 -13.3319 34.0685 -8.94247 39.9229 -13.3319 39.923 -6.46793 GPRESSAVG: 1355800 -4.82257 33.2165 -10.8926 33.1045 -8.89578 39.1813 -13.2704 40.1369 -5.69401 TIMING: 1355800 CPU: 4031.29, 0.00297/step Wall: 4031.29, 0.00297/step, 3.00647 hours remaining, 205.425781 MB of memory in use. ENERGY: 1355800 787.0353 2160.6907 1960.6971 118.4043 -206146.3002 17949.7633 0.0000 0.0000 34391.4575 -148778.2521 300.3492 -183169.7096 -148682.1606 301.0959 -46.1063 -16.5423 558284.1509 -6.4544 -6.4708 PRESSURE: 1356000 -87.2637 149.772 -182.575 149.772 -26.823 111.557 -182.575 111.556 -88.1749 GPRESSURE: 1356000 -54.928 213.068 -145.833 114.723 33.0584 190.407 -192.863 0.579632 -83.1036 PRESSAVG: 1356000 -8.91532 40.9659 -2.47281 40.966 15.9138 25.9351 -2.47281 25.9351 6.58307 GPRESSAVG: 1356000 -8.63531 39.1248 -5.72881 43.1319 15.9143 27.3147 -1.35065 25.5205 6.69022 TIMING: 1356000 CPU: 4031.88, 0.00297711/step Wall: 4031.88, 0.00297711/step, 3.0135 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: 1356000 761.8259 2099.1532 1948.0962 115.2312 -205860.3841 17767.6578 0.0000 0.0000 34312.5453 -148855.8744 299.6600 -183168.4198 -148766.4844 300.6327 -67.4205 -34.9911 558341.7729 4.5272 4.6564 PRESSURE: 1356200 -36.647 -143.19 -5.02343 -143.191 -293.546 -2.50192 -5.02187 -2.50293 -43.2441 GPRESSURE: 1356200 -38.254 -165.143 -54.1036 -160.051 -292.303 5.76666 44.309 -39.707 59.1274 PRESSAVG: 1356200 8.90295 -28.2296 33.1386 -28.2296 -11.7793 2.76632 33.1385 2.76635 -8.81238 GPRESSAVG: 1356200 7.9851 -26.4874 33.774 -31.0108 -11.0287 0.715235 31.7001 3.66527 -8.27461 TIMING: 1356200 CPU: 4032.48, 0.00297663/step Wall: 4032.48, 0.00297663/step, 3.01285 hours remaining, 205.425781 MB of memory in use. ENERGY: 1356200 746.2024 2123.9936 1944.1787 115.6345 -206028.5243 17758.4446 0.0000 0.0000 34355.4753 -148984.5952 300.0349 -183340.0705 -148880.3933 300.3197 -124.4789 -90.4765 559295.3870 -3.8962 -3.7727 LDB: ============= START OF LOAD BALANCING ============== 4035.9 LDB: ============== END OF LOAD BALANCING =============== 4035.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4035.91 LDB: ============= START OF LOAD BALANCING ============== 4036.2 LDB: Largest compute 4821 load 0.031458 is 26.6% of average load 0.118102 LDB: Average compute 0.001713 is 1.5% of average load 0.118102 LDB: TIME 4036.21 LOAD: AVG 0.118102 MAX 0.196407 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 4036.21 LOAD: AVG 0.118102 MAX 0.196407 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.488 MB LDB: TIME 4036.21 LOAD: AVG 0.118102 MAX 0.196407 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.488 MB LDB: ============== END OF LOAD BALANCING =============== 4036.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4036.21 PRESSURE: 1356400 -67.003 -116.337 -12.1962 -116.338 -193.864 -78.1741 -12.1964 -78.1721 -174.303 GPRESSURE: 1356400 -9.20334 -96.995 -15.8637 -94.9117 -179.475 -107.528 -17.3295 -109.842 -147.756 PRESSAVG: 1356400 14.1521 2.45614 4.03601 2.45625 -47.1202 -58.9848 4.03604 -58.9848 10.3643 GPRESSAVG: 1356400 15.5608 3.65905 3.51225 2.50448 -48.2427 -57.6143 4.28535 -59.1256 10.0904 TIMING: 1356400 CPU: 4033.08, 0.00302562/step Wall: 4033.08, 0.00302562/step, 3.06226 hours remaining, 205.937500 MB of memory in use. ENERGY: 1356400 776.4512 2133.4328 1941.5259 111.1649 -205857.3554 17519.0139 0.0000 0.0000 34350.2517 -149025.5151 299.9893 -183375.7667 -148926.6278 299.4005 -145.0566 -112.1446 557579.4111 -7.5346 -7.5305 PRESSURE: 1356600 188.932 -39.2168 -1.15344 -39.2171 55.1391 -3.3176 -1.15359 -3.31665 76.9118 GPRESSURE: 1356600 265.864 13.444 -20.5662 -154.391 95.89 -56.5311 -7.61736 -44.938 59.0745 PRESSAVG: 1356600 -36.0901 8.26536 38.8671 8.26547 18.093 -6.99831 38.867 -6.99822 -5.20084 GPRESSAVG: 1356600 -37.0641 6.70886 39.6499 10.106 18.5941 -5.37516 40.4959 -10.4095 -5.41516 TIMING: 1356600 CPU: 4033.68, 0.00298895/step Wall: 4033.68, 0.00298895/step, 3.02498 hours remaining, 205.937500 MB of memory in use. ENERGY: 1356600 742.1944 2136.2844 1926.0541 127.3687 -206276.1958 17959.4332 0.0000 0.0000 34434.5356 -148950.3254 300.7254 -183384.8610 -148855.8030 300.1789 106.9944 140.2761 558572.3324 -7.7326 -7.9617 PRESSURE: 1356800 18.8815 -38.6072 161.398 -38.6082 -3.06353 -86.7032 161.398 -86.7043 118.691 GPRESSURE: 1356800 21.1522 -23.9584 151.341 -6.99789 31.2417 -130.321 146.419 -86.9389 180.26 PRESSAVG: 1356800 53.3669 -32.0946 40.6857 -32.0945 -30.9559 -38.7204 40.6857 -38.7203 -24.0817 GPRESSAVG: 1356800 52.6726 -30.3187 40.7406 -32.1236 -30.559 -39.2346 39.3231 -36.1558 -23.6941 TIMING: 1356800 CPU: 4034.27, 0.00295836/step Wall: 4034.27, 0.00295836/step, 2.99386 hours remaining, 205.937500 MB of memory in use. ENERGY: 1356800 733.6127 2060.2766 1964.3210 103.7996 -206027.1136 17662.1974 0.0000 0.0000 34459.3249 -149043.5814 300.9419 -183502.9063 -148943.3004 300.1389 44.8362 77.5514 557614.9411 -0.5569 -0.5268 PRESSURE: 1357000 143.883 -63.4859 103.595 -63.4856 75.9278 -136.514 103.595 -136.513 98.8891 GPRESSURE: 1357000 76.187 -88.9655 75.7533 -52.2929 186.552 -182.715 107.548 -175.567 147.186 PRESSAVG: 1357000 59.2265 0.382974 49.3692 0.383008 -56.0733 -48.6018 49.3692 -48.6019 -11.5831 GPRESSAVG: 1357000 59.346 -0.16623 48.6154 -0.260972 -56.6502 -49.5471 50.3158 -47.5053 -11.001 TIMING: 1357000 CPU: 4034.87, 0.00297775/step Wall: 4034.87, 0.00297775/step, 3.01332 hours remaining, 205.937500 MB of memory in use. ENERGY: 1357000 782.0932 2126.1027 1981.0004 113.8910 -206341.0478 18084.1961 0.0000 0.0000 34365.4008 -148888.3636 300.1216 -183253.7643 -148792.7903 300.1614 106.2335 136.6415 558490.9475 -2.8100 -2.7684 PRESSURE: 1357200 -136.307 -109.641 -17.7612 -109.641 84.2378 -89.5994 -17.7607 -89.5996 2.39189 GPRESSURE: 1357200 -103.518 -27.4477 -95.0565 -159.931 152.828 -36.6605 -53.8038 -55 13.3749 PRESSAVG: 1357200 -7.41017 5.06975 13.1722 5.06967 -24.0361 -71.2097 13.1721 -71.2097 40.423 GPRESSAVG: 1357200 -7.03487 3.15767 12.4263 5.34786 -23.0894 -70.1165 14.0764 -72.1725 38.8822 TIMING: 1357200 CPU: 4035.46, 0.00295142/step Wall: 4035.46, 0.00295142/step, 2.98651 hours remaining, 205.937500 MB of memory in use. ENERGY: 1357200 772.7217 2129.0638 1947.5364 110.4608 -206066.0863 17911.5138 0.0000 0.0000 34424.1068 -148770.6830 300.6343 -183194.7898 -148678.6859 299.8892 -16.5592 20.8948 557698.5822 2.9922 2.9193 PRESSURE: 1357400 62.7168 -49.1681 -14.2168 -49.1684 33.8221 -60.6687 -14.2163 -60.6679 214.669 GPRESSURE: 1357400 104.946 -111.14 -41.9911 87.6555 54.1921 -33.7823 17.6746 -23.8671 246.071 PRESSAVG: 1357400 -28.7553 -39.8137 -2.63868 -39.8136 75.2514 -82.0908 -2.63868 -82.0908 -29.5196 GPRESSAVG: 1357400 -28.0818 -39.1215 -1.59697 -38.0926 74.6369 -82.4043 -6.08534 -82.3912 -29.5944 TIMING: 1357400 CPU: 4036.05, 0.00296824/step Wall: 4036.05, 0.00296824/step, 3.00336 hours remaining, 205.937500 MB of memory in use. ENERGY: 1357400 755.6621 2090.7720 1961.8949 116.5259 -205760.0842 17749.5523 0.0000 0.0000 34246.9787 -148838.6981 299.0874 -183085.6768 -148746.2946 300.8565 103.7360 135.0697 557169.2028 5.6588 5.6535 PRESSURE: 1357600 -58.6706 82.7465 19.1049 82.7468 114.659 -22.5307 19.1059 -22.5302 -180.676 GPRESSURE: 1357600 -41.0292 81.9182 -25.7821 53.4999 175.783 9.6479 39.8927 -96.1295 -158.426 PRESSAVG: 1357600 -15.0677 13.6235 17.7427 13.6234 110.081 23.7026 17.7427 23.7027 -19.8182 GPRESSAVG: 1357600 -16.0291 14.6934 18.7747 10.7897 110.492 22.414 18.2794 24.5125 -18.991 TIMING: 1357600 CPU: 4036.65, 0.00296438/step Wall: 4036.65, 0.00296438/step, 2.99929 hours remaining, 205.937500 MB of memory in use. ENERGY: 1357600 777.4442 2082.2198 1946.0327 118.5880 -205748.8850 17751.5126 0.0000 0.0000 34351.5438 -148721.5439 300.0006 -183073.0877 -148626.8855 299.9688 -41.5624 -7.8909 557941.8971 25.0649 25.1573 PRESSURE: 1357800 -300.13 85.7529 -72.9152 85.7519 28.9492 -88.7488 -72.9162 -88.7496 42.7258 GPRESSURE: 1357800 -241.414 49.1217 -75.8367 107.307 3.93363 -77.1768 -57.2909 -77.1517 78.6646 PRESSAVG: 1357800 -73.8691 -53.5012 -1.23324 -53.5012 94.7487 -20.8941 -1.23324 -20.894 -40.3815 GPRESSAVG: 1357800 -73.6958 -54.6049 -2.32806 -52.0875 95.1633 -20.1307 -1.22574 -22.9155 -41.0387 TIMING: 1357800 CPU: 4037.24, 0.00295792/step Wall: 4037.24, 0.00295792/step, 2.99259 hours remaining, 205.937500 MB of memory in use. ENERGY: 1357800 770.7804 2110.1082 1952.1424 119.1004 -205465.0926 17461.5196 0.0000 0.0000 34365.9620 -148685.4797 300.1265 -183051.4417 -148589.7969 300.9308 -76.1515 -52.9386 558873.2325 -6.5006 -6.5237 PRESSURE: 1358000 -122.317 109.281 -228.082 109.28 -130.333 24.9642 -228.082 24.9641 -288.834 GPRESSURE: 1358000 -98.1557 148.432 -156.907 126.959 -99.8858 -55.8301 -166.731 110.447 -252.903 PRESSAVG: 1358000 1.33325 -5.00163 -11.73 -5.00173 39.4029 -15.9029 -11.7299 -15.9028 -55.1343 GPRESSAVG: 1358000 2.22078 -2.9506 -11.8372 -6.08328 37.3925 -14.7447 -11.2321 -15.9569 -54.2978 TIMING: 1358000 CPU: 4037.83, 0.00296103/step Wall: 4037.83, 0.00296103/step, 2.99557 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: 1358000 711.3929 2074.1254 1948.0720 118.3360 -205626.8825 17634.1719 0.0000 0.0000 34403.7531 -148737.0313 300.4565 -183140.7844 -148637.6355 300.3880 -180.4950 -150.3150 558161.9766 -4.7994 -4.8948 PRESSURE: 1358200 59.0648 172.613 93.5896 172.613 -32.1125 105.919 93.5901 105.918 41.9707 GPRESSURE: 1358200 108.379 129.473 130.571 212.911 -7.68582 78.0319 7.66249 96.4335 56.003 PRESSAVG: 1358200 48.4069 56.7638 -3.8165 56.7638 25.5175 37.5385 -3.81648 37.5387 -51.7072 GPRESSAVG: 1358200 48.572 55.8845 -4.76425 56.6242 26.7029 37.295 -2.89856 39.1177 -53.4627 TIMING: 1358200 CPU: 4038.42, 0.00295969/step Wall: 4038.42, 0.00295969/step, 2.99405 hours remaining, 205.937500 MB of memory in use. ENERGY: 1358200 765.9000 2065.7418 1945.1583 107.5156 -205911.9415 17871.3793 0.0000 0.0000 34385.3502 -148770.8963 300.2958 -183156.2465 -148672.3851 300.6256 22.9743 52.2320 558224.0932 7.4057 7.2707 PRESSURE: 1358400 -203.759 3.63354 109.784 3.63411 -76.2084 68.8971 109.784 68.8966 -205.471 GPRESSURE: 1358400 -172.552 -54.8968 89.9138 95.9315 -40.4372 76.8096 54.307 -7.12775 -170.137 PRESSAVG: 1358400 -4.00395 1.66821 75.7768 1.66819 14.4401 62.1941 75.7767 62.1941 -53.534 GPRESSAVG: 1358400 -5.11802 1.47133 76.0744 2.92733 14.2523 61.0196 77.0047 62.144 -52.2648 TIMING: 1358400 CPU: 4039.01, 0.00296379/step Wall: 4039.01, 0.00296379/step, 2.99804 hours remaining, 205.937500 MB of memory in use. ENERGY: 1358400 771.1967 2083.3954 1955.4500 110.9595 -205352.6300 17362.8782 0.0000 0.0000 34407.9168 -148660.8334 300.4929 -183068.7502 -148569.0803 300.2441 -161.8129 -127.7085 558478.7276 -14.3660 -14.3768 PRESSURE: 1358600 165.65 -51.9429 19.9851 -51.943 -130.18 45.8748 19.9856 45.8737 -324.447 GPRESSURE: 1358600 157.018 45.7395 68.2423 -86.7622 -75.2971 73.5433 -10.2739 113.203 -263.207 PRESSAVG: 1358600 26.9257 11.545 8.05948 11.545 -45.7447 -22.5912 8.05955 -22.5912 2.53523 GPRESSAVG: 1358600 25.732 14.0848 7.37424 9.06104 -45.1334 -24.174 6.53675 -20.3083 2.84089 TIMING: 1358600 CPU: 4039.61, 0.00295899/step Wall: 4039.61, 0.00295899/step, 2.99302 hours remaining, 205.937500 MB of memory in use. ENERGY: 1358600 779.7023 2142.5760 1934.5619 96.9292 -205866.8378 17703.0353 0.0000 0.0000 34334.5585 -148875.4747 299.8522 -183210.0332 -148777.4266 299.7443 -96.3258 -60.4952 557216.0347 -5.4279 -5.5202 PRESSURE: 1358800 -99.251 121.191 -58.9365 121.192 9.33994 -15.5086 -58.9364 -15.5069 -219.47 GPRESSURE: 1358800 -94.604 9.69214 -37.6942 167.466 61.4302 -25.1226 -78.6043 -80.559 -175.683 PRESSAVG: 1358800 -12.9103 -15.1862 19.4663 -15.1863 17.6459 -14.7021 19.4663 -14.7022 7.62386 GPRESSAVG: 1358800 -12.5802 -17.2684 20.364 -13.03 17.5025 -11.4752 20.5189 -19.8695 7.29227 TIMING: 1358800 CPU: 4040.2, 0.00297673/step Wall: 4040.2, 0.00297673/step, 3.0108 hours remaining, 205.937500 MB of memory in use. ENERGY: 1358800 740.5163 2088.0408 1929.8453 111.7648 -205556.4438 17394.0464 0.0000 0.0000 34407.8512 -148884.3790 300.4923 -183292.2301 -148786.3866 299.7066 -103.1269 -69.6191 557240.5235 4.1198 4.0715 PRESSURE: 1359000 -351.612 -33.7577 24.7519 -33.7589 -113.386 -26.7132 24.7522 -26.7127 -145.915 GPRESSURE: 1359000 -285.787 5.54316 32.131 -30.1275 -47.1843 26.4453 33.4742 -15.415 -174.453 PRESSAVG: 1359000 41.4422 -4.60574 -19.5466 -4.60574 0.179444 -42.8143 -19.5465 -42.8144 -0.547167 GPRESSAVG: 1359000 41.4423 -5.45871 -18.2032 -5.72432 -0.425973 -43.1415 -20.7395 -39.9238 -0.682757 TIMING: 1359000 CPU: 4040.8, 0.00298177/step Wall: 4040.8, 0.00298177/step, 3.01573 hours remaining, 205.937500 MB of memory in use. ENERGY: 1359000 756.2869 2117.4256 1946.9367 119.6852 -205789.2062 17527.4666 0.0000 0.0000 34579.4257 -148741.9797 301.9907 -183321.4054 -148635.1552 300.7046 -203.6378 -169.1415 557523.1150 13.6915 13.4445 PRESSURE: 1359200 -398.222 42.6112 140.346 42.6109 -145.802 -155.157 140.346 -155.156 -235.389 GPRESSURE: 1359200 -347.38 18.8568 170.964 145.675 -155.214 -110.308 78.9026 -169.542 -171.037 PRESSAVG: 1359200 41.1156 48.2602 2.02239 48.2602 -14.3621 -33.6555 2.02242 -33.6555 -5.90763 GPRESSAVG: 1359200 41.3709 50.0317 1.43467 49.2356 -14.8738 -34.6094 2.47357 -34.4988 -5.23231 TIMING: 1359200 CPU: 4041.39, 0.00297385/step Wall: 4041.39, 0.00297385/step, 3.00756 hours remaining, 205.937500 MB of memory in use. ENERGY: 1359200 771.0503 2113.5948 1945.2109 100.9978 -205631.2720 17448.4836 0.0000 0.0000 34481.0231 -148770.9115 301.1314 -183251.9346 -148678.1074 301.2229 -259.8043 -224.5435 557949.1123 6.9486 7.0883 PRESSURE: 1359400 -54.6635 171.333 -163.456 171.334 -58.1463 -88.0602 -163.456 -88.0624 -192.749 GPRESSURE: 1359400 -9.09679 124.746 -146.884 147.5 -63.4718 -152.244 -212.311 -89.9983 -142.399 PRESSAVG: 1359400 31.4777 46.1619 -52.8967 46.1619 28.4222 -46.899 -52.8968 -46.8991 -79.6561 GPRESSAVG: 1359400 31.7762 44.767 -55.3119 48.0183 27.9338 -44.6023 -53.3881 -48.3569 -80.4195 TIMING: 1359400 CPU: 4041.99, 0.00296781/step Wall: 4041.99, 0.00296781/step, 3.00128 hours remaining, 205.937500 MB of memory in use. ENERGY: 1359400 720.3158 2070.4484 1926.2855 107.5326 -205648.7824 17480.6414 0.0000 0.0000 34297.6463 -149045.9124 299.5299 -183343.5587 -148940.8802 300.8160 -101.8530 -71.6559 556433.5553 -6.5854 -6.9032 PRESSURE: 1359600 7.98752 4.41568 -49.5923 4.41476 97.2757 -209.453 -49.5931 -209.455 -223.467 GPRESSURE: 1359600 -10.2035 96.0768 -122.283 6.0779 149.997 -200.519 64.8672 -99.4874 -147.661 PRESSAVG: 1359600 -17.4 17.4149 -47.1955 17.4149 4.36508 8.95276 -47.1953 8.95278 30.1447 GPRESSAVG: 1359600 -17.1658 19.0226 -46.5165 15.0291 5.51075 8.5214 -46.9174 8.65534 29.0304 TIMING: 1359600 CPU: 4042.58, 0.00296024/step Wall: 4042.58, 0.00296024/step, 2.99346 hours remaining, 205.937500 MB of memory in use. ENERGY: 1359600 697.7137 2113.7498 1966.5937 111.6010 -206133.8988 17804.7212 0.0000 0.0000 34342.7300 -149096.7893 299.9236 -183439.5193 -148996.2012 300.0273 -39.4011 -2.6224 557019.5670 5.7032 5.7918 PRESSURE: 1359800 324.146 -3.25358 192.173 -3.25431 274.121 148.093 192.172 148.092 36.8798 GPRESSURE: 1359800 346.988 111.628 209.26 -38.6963 311.179 124.226 191.844 165.231 75.4442 PRESSAVG: 1359800 -58.35 -28.7441 -27.3907 -28.7441 55.2468 28.1561 -27.3907 28.1561 17.7441 GPRESSAVG: 1359800 -59.4681 -26.9933 -26.4099 -31.0163 54.0046 26.9076 -28.2128 31.2363 19.7025 TIMING: 1359800 CPU: 4043.17, 0.00293789/step Wall: 4043.17, 0.00293789/step, 2.9707 hours remaining, 205.937500 MB of memory in use. ENERGY: 1359800 729.2273 2093.5893 1966.9881 116.1638 -206725.6448 18388.7881 0.0000 0.0000 34362.8419 -149068.0463 300.0992 -183430.8883 -148973.4357 299.9665 211.7155 244.5373 557681.3921 4.8803 4.7464 PRESSURE: 1360000 -130.852 -117.325 152.614 -117.326 123.513 6.67344 152.613 6.67435 -108.939 GPRESSURE: 1360000 -103.032 -75.3141 132.163 -66.3841 197.183 65.0584 177.573 25.2887 -124.702 PRESSAVG: 1360000 32.6631 1.58154 -3.30065 1.58159 7.71496 23.2838 -3.30066 23.2837 -63.1386 GPRESSAVG: 1360000 32.5116 -0.107691 -3.4452 3.25771 8.22744 22.9019 -2.42839 20.657 -63.6812 TIMING: 1360000 CPU: 4043.76, 0.00295285/step Wall: 4043.76, 0.00295285/step, 2.98566 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: 1360000 738.5577 2121.3873 1966.0490 115.0524 -205921.9974 17717.9788 0.0000 0.0000 34498.4145 -148764.5577 301.2832 -183262.9722 -148664.7877 300.4829 -38.7592 -10.1839 559598.0652 -7.5868 -7.6474 PRESSURE: 1360200 127.335 35.7905 165.136 35.7897 203.905 -106.218 165.136 -106.218 86.1273 GPRESSURE: 1360200 181.869 104.429 219.026 -7.78288 243.259 -35.8936 138.714 -95.8954 94.3342 PRESSAVG: 1360200 5.23384 3.60637 2.21739 3.60639 -31.052 -22.8012 2.21734 -22.8012 39.7005 GPRESSAVG: 1360200 4.21392 2.70896 1.40373 2.77962 -29.853 -20.4763 2.20092 -21.2237 39.6084 TIMING: 1360200 CPU: 4044.35, 0.00295329/step Wall: 4044.35, 0.00295329/step, 2.98594 hours remaining, 205.937500 MB of memory in use. ENERGY: 1360200 717.0332 2074.5936 1948.3386 116.9066 -205777.3669 17856.0109 0.0000 0.0000 34179.3628 -148885.1212 298.4969 -183064.4840 -148782.6025 301.1528 139.1224 173.1542 557045.2853 4.6275 4.6564 LDB: ============= START OF LOAD BALANCING ============== 4047.77 LDB: ============== END OF LOAD BALANCING =============== 4047.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4047.78 LDB: ============= START OF LOAD BALANCING ============== 4048.07 LDB: Largest compute 4847 load 0.029317 is 24.8% of average load 0.118033 LDB: Average compute 0.001709 is 1.4% of average load 0.118033 LDB: TIME 4048.08 LOAD: AVG 0.118033 MAX 0.19907 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 4048.08 LOAD: AVG 0.118033 MAX 0.19907 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.137 MB LDB: TIME 4048.08 LOAD: AVG 0.118033 MAX 0.19907 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4048.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4048.08 PRESSURE: 1360400 131.273 -92.5832 -55.7401 -92.5851 -55.1956 83.5274 -55.7389 83.5275 113.612 GPRESSURE: 1360400 179.893 -40.8153 -53.525 -115.959 17.0626 114.407 -55.6183 15.9668 95.8794 PRESSAVG: 1360400 98.8369 -20.2176 36.6446 -20.2176 -49.8034 19.1548 36.6446 19.1549 -79.457 GPRESSAVG: 1360400 99.9689 -21.1471 36.4852 -21.2314 -49.7863 17.4166 35.9962 18.6168 -80.9203 TIMING: 1360400 CPU: 4044.95, 0.0030329/step Wall: 4044.95, 0.0030329/step, 3.06626 hours remaining, 206.765625 MB of memory in use. ENERGY: 1360400 740.2851 2148.6073 1934.0270 98.0655 -206037.6454 17894.5002 0.0000 0.0000 34447.8565 -148774.3037 300.8417 -183222.1602 -148676.5387 300.3233 63.2300 97.6117 557233.5161 -10.1412 -10.2459 PRESSURE: 1360600 -36.3631 96.7353 49.8903 96.735 -57.6649 27.3145 49.8926 27.3142 -222.477 GPRESSURE: 1360600 -34.5791 115.526 -18.0621 55.725 -2.56394 59.2383 131.938 48.4785 -179.681 PRESSAVG: 1360600 43.2376 -1.20878 69.6039 -1.20884 7.29259 14.6138 69.604 14.614 1.1116 GPRESSAVG: 1360600 43.4887 0.455619 68.9308 0.546307 5.80761 13.2536 70.9788 13.691 2.81414 TIMING: 1360600 CPU: 4045.54, 0.00295431/step Wall: 4045.54, 0.00295431/step, 2.98664 hours remaining, 206.777344 MB of memory in use. ENERGY: 1360600 789.6309 2094.7638 1930.6364 102.4379 -205897.8606 17761.8017 0.0000 0.0000 34399.4717 -148819.1180 300.4191 -183218.5898 -148721.0216 300.5589 -105.5018 -72.2748 557553.5969 17.2139 17.3702 PRESSURE: 1360800 -7.94014 -43.2945 40.3788 -43.2945 -226.307 -19.0592 40.3798 -19.0581 -315.749 GPRESSURE: 1360800 -46.4076 -38.3113 84.2937 -33.7048 -181.911 -55.1252 102.579 -60.9634 -232.434 PRESSAVG: 1360800 32.1635 26.1781 5.0158 26.178 -33.9277 -7.40224 5.01578 -7.40218 2.44607 GPRESSAVG: 1360800 31.891 26.6358 6.41303 25.2283 -33.0747 -6.59823 4.3316 -8.40818 2.42139 TIMING: 1360800 CPU: 4046.14, 0.00295887/step Wall: 4046.14, 0.00295887/step, 2.99108 hours remaining, 206.777344 MB of memory in use. ENERGY: 1360800 725.2751 2095.5212 1956.5526 104.8813 -205401.0064 17262.9844 0.0000 0.0000 34420.6822 -148835.1095 300.6044 -183255.7918 -148733.4839 299.8939 -183.3321 -153.5843 557598.4496 0.2273 0.4125 PRESSURE: 1361000 -63.415 -165.711 -156.166 -165.712 87.2809 74.2646 -156.166 74.2642 -125.961 GPRESSURE: 1361000 -34.3385 -9.81711 -143.849 -279.49 81.2026 60.5881 -194.625 71.2974 -49.0082 PRESSAVG: 1361000 31.0625 -42.1756 18.5981 -42.1757 -37.34 -4.05836 18.598 -4.05846 17.2352 GPRESSAVG: 1361000 31.2838 -42.6823 17.0227 -43.0726 -38.4403 -2.25487 19.4738 -1.61958 18.7748 TIMING: 1361000 CPU: 4046.73, 0.00299402/step Wall: 4046.73, 0.00299402/step, 3.02646 hours remaining, 206.777344 MB of memory in use. ENERGY: 1361000 712.0053 2108.5221 1965.6743 104.0135 -205494.8472 17512.4900 0.0000 0.0000 34276.3272 -148815.8147 299.3437 -183092.1419 -148728.7978 299.7900 -34.0318 -0.7147 557673.0447 3.6526 3.8728 PRESSURE: 1361200 -287.23 -83.9491 -65.7309 -83.9493 -123.439 -138.339 -65.7316 -138.339 -73.6444 GPRESSURE: 1361200 -264.025 -47.5125 -43.6455 -73.1904 -50.6519 -163.329 -70.1981 -97.5772 -75.057 PRESSAVG: 1361200 66.9851 -8.04717 -15.9422 -8.04719 -5.72369 -0.403551 -15.9421 -0.403706 -12.9757 GPRESSAVG: 1361200 67.3674 -8.40698 -16.8397 -7.63089 -4.59335 -1.16258 -16.1185 0.171287 -14.7091 TIMING: 1361200 CPU: 4047.33, 0.0029959/step Wall: 4047.33, 0.0029959/step, 3.02819 hours remaining, 206.777344 MB of memory in use. ENERGY: 1361200 737.7199 2111.2668 1954.6886 111.4736 -205175.3247 17359.7414 0.0000 0.0000 34132.5786 -148767.8558 298.0883 -182900.4344 -148669.2225 300.1368 -161.4378 -129.9113 559696.9677 16.0952 16.0217 PRESSURE: 1361400 9.60847 -75.4956 -68.4314 -75.4976 53.1852 124.105 -68.4318 124.105 -31.8902 GPRESSURE: 1361400 43.3472 -38.1301 -32.8368 -43.8457 152.149 4.30095 -87.3133 136.182 -53.9795 PRESSAVG: 1361400 -38.5231 17.2486 3.56834 17.2486 27.5311 -47.821 3.56836 -47.821 6.01045 GPRESSAVG: 1361400 -38.4741 16.4215 4.291 18.4589 26.7686 -48.4522 2.56077 -48.4735 7.72572 TIMING: 1361400 CPU: 4047.93, 0.00297095/step Wall: 4047.93, 0.00297095/step, 3.00281 hours remaining, 206.777344 MB of memory in use. ENERGY: 1361400 772.1535 2114.9117 1934.6412 105.2254 -206244.1238 18050.3496 0.0000 0.0000 34397.9488 -148868.8937 300.4058 -183266.8425 -148769.0674 299.8109 10.3012 47.1723 558023.8554 -1.6605 -1.3266 PRESSURE: 1361600 -105.455 1.27898 66.9599 1.27751 155.006 55.979 66.9594 55.9795 -258.436 GPRESSURE: 1361600 -80.5467 -4.98266 83.0842 42.8454 189.647 104.275 115.841 15.137 -217.582 PRESSAVG: 1361600 33.3105 -2.55381 22.6626 -2.55384 -31.1932 41.1377 22.6626 41.1376 -34.4697 GPRESSAVG: 1361600 34.2692 -1.76417 23.1641 -2.24008 -30.9767 40.7143 22.2394 39.6924 -35.9351 TIMING: 1361600 CPU: 4048.53, 0.00298639/step Wall: 4048.53, 0.00298639/step, 3.01824 hours remaining, 206.777344 MB of memory in use. ENERGY: 1361600 752.7135 2086.6627 1945.2172 116.3608 -205687.4195 17604.1054 0.0000 0.0000 34257.2021 -148925.1578 299.1767 -183182.3599 -148828.3248 300.6344 -69.6283 -36.1606 558858.9969 -10.7841 -10.8809 PRESSURE: 1361800 -3.38624 -89.8457 106.588 -89.8459 -6.10627 157.02 106.59 157.019 0.520172 GPRESSURE: 1361800 38.5785 -85.167 95.0864 -120.317 41.3359 198.96 131.72 187.12 -3.4853 PRESSAVG: 1361800 46.969 20.502 7.14645 20.502 -15.6366 28.6652 7.14644 28.6652 -24.721 GPRESSAVG: 1361800 47.3103 18.6172 7.09358 18.278 -15.1379 29.6074 6.83969 30.7847 -24.7343 TIMING: 1361800 CPU: 4049.13, 0.00300705/step Wall: 4049.13, 0.00300705/step, 3.03896 hours remaining, 206.777344 MB of memory in use. ENERGY: 1361800 722.3660 2059.1093 1978.0063 120.5827 -206116.3768 17990.1354 0.0000 0.0000 34202.6335 -149043.5435 298.7001 -183246.1771 -148946.7099 299.3714 -2.9908 25.4764 558697.0183 2.2038 2.4794 PRESSURE: 1362000 49.3821 -132.351 29.0959 -132.351 34.3486 -133.389 29.0954 -133.389 -136.92 GPRESSURE: 1362000 21.9078 -104.048 42.8473 -74.7119 103.476 -151.594 10.1542 -17.2595 -82.7934 PRESSAVG: 1362000 77.5343 -56.7799 14.362 -56.7799 -53.6499 21.554 14.362 21.554 -38.6391 GPRESSAVG: 1362000 77.8394 -56.1888 13.6413 -53.9017 -54.7264 20.4032 16.0908 21.4043 -38.3516 TIMING: 1362000 CPU: 4049.73, 0.00302181/step Wall: 4049.73, 0.00302181/step, 3.05371 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: 1362000 757.4091 2160.4366 1965.5355 117.7735 -206494.2645 18026.1994 0.0000 0.0000 34313.7603 -149153.1501 299.6706 -183466.9104 -149056.1794 299.6264 -17.7298 14.1966 557848.4352 -4.9182 -5.0795 PRESSURE: 1362200 -66.7772 -16.2694 122.955 -16.2688 108.915 35.8885 122.955 35.8889 -159.344 GPRESSURE: 1362200 -5.2203 126.943 128.963 -130.065 79.4705 -11.8675 95.6137 41.9883 -88.507 PRESSAVG: 1362200 66.6012 -26.7188 -4.30142 -26.7188 -1.20029 23.0365 -4.30149 23.0365 -64.9824 GPRESSAVG: 1362200 65.8215 -24.4137 -4.992 -28.3006 -1.38251 25.0772 -6.27767 21.8438 -64.095 TIMING: 1362200 CPU: 4050.33, 0.00297407/step Wall: 4050.33, 0.00297407/step, 3.0053 hours remaining, 206.777344 MB of memory in use. ENERGY: 1362200 763.1949 2090.6028 1941.6094 103.5894 -206257.1360 17881.8789 0.0000 0.0000 34291.4957 -149184.7650 299.4762 -183476.2606 -149086.1767 299.6321 -39.0687 -4.7523 557896.8056 0.1395 0.1146 PRESSURE: 1362400 169.33 -75.624 78.1469 -75.6245 -35.1004 89.0098 78.1474 89.0105 113.724 GPRESSURE: 1362400 180.998 -13.9668 109.558 -23.5428 7.24604 123.367 58.5459 23.4806 142.78 PRESSAVG: 1362400 7.60286 19.992 31.7394 19.992 71.3295 33.9253 31.7394 33.9254 -51.9388 GPRESSAVG: 1362400 8.16041 17.6009 32.556 20.5118 72.5048 31.7092 33.1245 35.8581 -53.4553 TIMING: 1362400 CPU: 4050.91, 0.00294358/step Wall: 4050.91, 0.00294358/step, 2.97432 hours remaining, 206.777344 MB of memory in use. ENERGY: 1362400 765.0874 2124.4539 1917.9671 118.5068 -206512.9271 18044.4742 0.0000 0.0000 34540.0375 -149002.4002 301.6467 -183542.4377 -148907.3816 300.0645 82.6510 110.3416 557102.2422 8.9979 9.0700 PRESSURE: 1362600 -95.1513 -23.6987 4.58386 -23.6978 -22.6427 31.4728 4.58354 31.4732 73.0683 GPRESSURE: 1362600 -56.3096 -8.43718 16.4849 -85.7822 30.1259 -8.5063 47.6721 14.2414 73.0531 PRESSAVG: 1362600 -7.77799 47.0768 44.971 47.0768 -21.2965 9.08543 44.9709 9.08548 43.5072 GPRESSAVG: 1362600 -7.61434 48.0331 44.413 47.5134 -22.7624 11.6449 45.2496 6.05983 44.1925 TIMING: 1362600 CPU: 4051.5, 0.00295176/step Wall: 4051.5, 0.00295176/step, 2.98242 hours remaining, 206.777344 MB of memory in use. ENERGY: 1362600 744.3105 2075.1202 1960.6928 115.5981 -206268.5812 17768.9144 0.0000 0.0000 34396.8007 -149207.1445 300.3958 -183603.9452 -149113.0108 300.7085 -14.9086 15.6231 556919.6066 4.8109 4.6053 PRESSURE: 1362800 96.4329 -97.9855 175.219 -97.9862 -201.91 109.295 175.219 109.295 -90.8217 GPRESSURE: 1362800 112.97 -61.0308 190.745 -41.151 -159.639 195.15 150.62 115.939 -53.3154 PRESSAVG: 1362800 39.272 -6.35839 18.1642 -6.35843 -35.605 25.6611 18.1642 25.6612 7.52959 GPRESSAVG: 1362800 39.7067 -7.30483 17.1974 -7.40852 -36.2048 23.4099 18.245 26.0455 8.06449 TIMING: 1362800 CPU: 4052.1, 0.00296534/step Wall: 4052.1, 0.00296534/step, 2.99598 hours remaining, 206.777344 MB of memory in use. ENERGY: 1362800 741.6755 2069.8804 1928.6964 114.4088 -206055.2788 17797.6212 0.0000 0.0000 34299.2828 -149103.7136 299.5442 -183402.9965 -149001.1212 299.2070 -65.4329 -33.3281 557840.8282 3.7322 3.8555 PRESSURE: 1363000 -217.328 132.93 32.2317 132.931 -146.633 47.8312 32.2307 47.831 -192.168 GPRESSURE: 1363000 -201.99 146.664 13.973 112.605 -98.2862 124.313 -16.847 45.62 -162.977 PRESSAVG: 1363000 -0.417752 5.17576 47.2523 5.17565 -20.4949 19.2458 47.2523 19.2458 21.2837 GPRESSAVG: 1363000 -0.854975 6.80684 49.2785 4.20959 -19.4119 18.9351 45.5757 19.3717 20.9395 TIMING: 1363000 CPU: 4052.69, 0.00297227/step Wall: 4052.69, 0.00297227/step, 3.00282 hours remaining, 206.777344 MB of memory in use. ENERGY: 1363000 791.7010 2074.6920 1957.2666 115.7155 -206091.2472 17725.1615 0.0000 0.0000 34257.1408 -149169.5698 299.1761 -183426.7106 -149067.9267 299.4375 -185.3762 -154.4176 558509.5665 0.1237 0.2242 PRESSURE: 1363200 -126.252 -18.7938 -133.995 -18.7937 27.7195 -1.70857 -133.994 -1.70928 -178.246 GPRESSURE: 1363200 -146.458 -44.6371 -145.257 37.4313 61.6478 -19.1152 -93.012 4.81344 -113.818 PRESSAVG: 1363200 -27.3431 -2.6439 -16.6615 -2.64393 -80.8676 -11.5662 -16.6616 -11.5662 69.8308 GPRESSAVG: 1363200 -27.2494 -3.4746 -15.1147 -1.49643 -80.6743 -11.7368 -15.5984 -7.8503 69.5202 TIMING: 1363200 CPU: 4053.29, 0.00297977/step Wall: 4053.29, 0.00297977/step, 3.01023 hours remaining, 206.777344 MB of memory in use. ENERGY: 1363200 750.3161 2110.7675 1973.7669 107.9545 -206262.8727 17753.8077 0.0000 0.0000 34518.5681 -149047.6918 301.4592 -183566.2600 -148943.1441 299.2458 -92.2593 -66.2094 558469.8638 -12.7933 -12.8012 PRESSURE: 1363400 -277.439 -19.4234 -159.914 -19.4243 -128.85 66.5431 -159.915 66.5438 -299.155 GPRESSURE: 1363400 -277.132 -1.87566 -203.717 12.6755 -79.5803 23.5675 -129.386 69.3311 -246.067 PRESSAVG: 1363400 -19.6635 -18.1428 -15.2971 -18.1427 20.7139 28.7371 -15.2971 28.737 37.8937 GPRESSAVG: 1363400 -20.4306 -19.5568 -16.5035 -16.7173 21.2275 29.1734 -13.4683 24.4675 38.0632 TIMING: 1363400 CPU: 4053.88, 0.00294962/step Wall: 4053.88, 0.00294962/step, 2.97961 hours remaining, 206.777344 MB of memory in use. ENERGY: 1363400 755.6000 2079.3075 1969.1871 112.9933 -206110.8292 17695.8109 0.0000 0.0000 34382.7052 -149115.2252 300.2727 -183497.9304 -149014.7441 300.2516 -235.1477 -200.9262 559397.1165 12.9814 12.9534 PRESSURE: 1363600 303.728 15.9138 65.0707 15.9134 17.1888 121.765 65.0711 121.765 302.29 GPRESSURE: 1363600 297.006 41.6982 46.7051 99.8199 91.6691 124.532 96.4464 59.723 332.982 PRESSAVG: 1363600 -65.7064 15.9441 -36.2403 15.944 36.9752 10.412 -36.2402 10.4119 44.2953 GPRESSAVG: 1363600 -65.5077 17.5386 -37.8638 14.3212 37.0448 8.77141 -37.3354 12.0083 44.2 TIMING: 1363600 CPU: 4054.47, 0.00295047/step Wall: 4054.47, 0.00295047/step, 2.9803 hours remaining, 206.777344 MB of memory in use. ENERGY: 1363600 712.2343 2097.6372 1933.4437 106.7727 -206416.9125 18190.3886 0.0000 0.0000 34323.5873 -149052.8487 299.7564 -183376.4361 -148956.3404 299.4130 207.7356 240.5522 557818.4825 5.1880 5.2457 PRESSURE: 1363800 94.0335 176.922 81.3854 176.922 -126.39 105.872 81.3864 105.872 26.0971 GPRESSURE: 1363800 109.66 184.776 49.945 201.601 -89.1614 44.5444 35.3171 102.064 78.5568 PRESSAVG: 1363800 31.6083 -14.8988 44.4977 -14.8988 -15.2799 53.5794 44.4978 53.5794 -7.24533 GPRESSAVG: 1363800 31.0069 -16.4041 43.488 -14.9956 -15.3829 56.6772 45.0595 52.4291 -6.34787 TIMING: 1363800 CPU: 4055.06, 0.00294595/step Wall: 4055.06, 0.00294595/step, 2.97557 hours remaining, 206.777344 MB of memory in use. ENERGY: 1363800 756.9419 2037.8466 1947.5749 120.6677 -206170.8102 17789.6049 0.0000 0.0000 34401.8755 -149116.2986 300.4401 -183518.1741 -149022.6127 299.4600 -2.0864 33.0183 558609.7987 3.0277 3.0920 PRESSURE: 1364000 43.0813 -118.722 -128.49 -118.722 -96.8692 -12.722 -128.49 -12.722 -220.469 GPRESSURE: 1364000 105.822 -25.42 -75.624 -204.96 -67.0964 21.8856 -70.6064 -30.2449 -216.997 PRESSAVG: 1364000 93.559 19.3571 -1.61687 19.3571 -45.5592 -14.6075 -1.61677 -14.6074 -21.8836 GPRESSAVG: 1364000 95.1439 18.8819 -1.51008 19.5859 -46.1008 -17.9395 -0.434077 -13.1755 -22.3831 TIMING: 1364000 CPU: 4055.65, 0.00296677/step Wall: 4055.65, 0.00296677/step, 2.99644 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: 1364000 761.5539 2156.3468 1966.3802 106.6602 -205981.7902 17706.4186 0.0000 0.0000 34186.0859 -149098.3445 298.5556 -183284.4304 -149000.7280 300.0734 -91.4191 -59.4237 558716.0706 8.7054 8.8867 PRESSURE: 1364200 7.31125 -47.9061 73.5589 -47.906 314.572 84 73.5585 84.0004 100.481 GPRESSURE: 1364200 16.7226 -4.98141 -23.9885 0.4056 315.769 141.975 151.125 129.745 188.307 PRESSAVG: 1364200 -53.8491 -9.52296 -49.9254 -9.52296 30.567 -22.833 -49.9255 -22.8331 9.68359 GPRESSAVG: 1364200 -54.341 -8.26161 -48.3936 -9.65487 30.9367 -20.5706 -52.3295 -23.5666 9.63462 TIMING: 1364200 CPU: 4056.25, 0.00298628/step Wall: 4056.25, 0.00298628/step, 3.01598 hours remaining, 206.777344 MB of memory in use. ENERGY: 1364200 720.4357 2051.3982 1933.7345 125.6968 -206164.2951 17917.0552 0.0000 0.0000 34170.0351 -149245.9395 298.4154 -183415.9746 -149153.5331 299.5667 140.7882 173.5994 557109.7214 -4.5328 -4.5899 LDB: ============= START OF LOAD BALANCING ============== 4059.67 LDB: ============== END OF LOAD BALANCING =============== 4059.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4059.68 LDB: ============= START OF LOAD BALANCING ============== 4059.97 LDB: Largest compute 4847 load 0.027836 is 23.6% of average load 0.118031 LDB: Average compute 0.001708 is 1.4% of average load 0.118031 LDB: TIME 4059.97 LOAD: AVG 0.118031 MAX 0.197851 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 4059.97 LOAD: AVG 0.118031 MAX 0.197851 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.938 MB LDB: TIME 4059.97 LOAD: AVG 0.118031 MAX 0.197851 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4059.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4059.98 PRESSURE: 1364400 227.287 -66.2061 73.2354 -66.2071 -102.776 65.2304 73.2363 65.2317 86.3178 GPRESSURE: 1364400 241.037 -55.2464 96.7804 -107.076 -40.8205 122.783 39.3226 83.1438 105.865 PRESSAVG: 1364400 -10.9635 0.656548 13.9256 0.656482 -0.688677 8.28258 13.9256 8.28253 -5.22628 GPRESSAVG: 1364400 -10.2843 1.38227 14.3332 2.35543 -2.89844 7.96534 15.9129 7.59488 -3.457 TIMING: 1364400 CPU: 4056.85, 0.00300441/step Wall: 4056.85, 0.00300441/step, 3.03412 hours remaining, 206.507812 MB of memory in use. ENERGY: 1364400 733.6545 2083.2501 1941.3034 126.5645 -206277.9126 17959.4625 0.0000 0.0000 34145.9320 -149287.7455 298.2049 -183433.6775 -149193.3362 298.6490 70.2763 102.0271 557985.8786 -5.6262 -5.5466 PRESSURE: 1364600 75.0376 -23.7879 22.7352 -23.7883 -104.359 -79.2942 22.7358 -79.2953 -9.06121 GPRESSURE: 1364600 38.8585 66.5198 75.5985 -62.237 -42.4214 -98.8897 -21.0882 -103.442 65.9472 PRESSAVG: 1364600 62.8422 25.7561 -67.6507 25.7561 -39.3272 54.1834 -67.6507 54.1833 16.6025 GPRESSAVG: 1364600 63.0812 23.7543 -67.9429 24.7849 -38.2664 54.9345 -68.3378 54.5506 14.8959 TIMING: 1364600 CPU: 4057.44, 0.00294285/step Wall: 4057.44, 0.00294285/step, 2.97179 hours remaining, 206.507812 MB of memory in use. ENERGY: 1364600 719.1404 2109.3721 1942.0230 122.9567 -206151.3246 17980.7989 0.0000 0.0000 34049.8779 -149227.1556 297.3661 -183277.0334 -149133.5345 298.5737 -12.7941 20.7947 559847.8691 13.3725 13.2369 PRESSURE: 1364800 -70.2138 47.454 63.3181 47.4537 100.932 -119.749 63.3186 -119.749 132.602 GPRESSURE: 1364800 -47.3362 142 65.9449 3.27345 131.455 -128.333 57.8827 -149.122 184.772 PRESSAVG: 1364800 -36.264 38.7633 -59.7982 38.7633 4.16091 -8.73048 -59.7982 -8.73062 8.76189 GPRESSAVG: 1364800 -37.9161 39.3947 -58.8974 37.7513 4.77177 -8.82266 -60.1736 -8.72338 9.70241 TIMING: 1364800 CPU: 4058.02, 0.00293467/step Wall: 4058.02, 0.00293466/step, 2.96336 hours remaining, 206.507812 MB of memory in use. ENERGY: 1364800 765.5680 2056.6367 1934.0448 116.5481 -206117.5290 17872.5554 0.0000 0.0000 34132.5057 -149239.6703 298.0877 -183372.1760 -149142.6729 298.4080 54.4401 89.6303 556825.9034 -7.7804 -7.8140 PRESSURE: 1365000 199.685 20.6516 -89.9342 20.6515 -68.1985 57.8958 -89.9341 57.897 26.067 GPRESSURE: 1365000 266.41 62.1882 -70.4971 33.5385 -56.1949 70.2076 -22.6779 35.55 44.7154 PRESSAVG: 1365000 -8.9467 -19.374 -41.6224 -19.3741 42.9986 21.7615 -41.6224 21.7615 -16.8119 GPRESSAVG: 1365000 -7.58286 -18.6874 -43.03 -17.5917 41.8488 21.6891 -39.6616 23.3537 -17.2894 TIMING: 1365000 CPU: 4058.61, 0.00294654/step Wall: 4058.61, 0.00294654/step, 2.97518 hours remaining, 206.507812 MB of memory in use. ENERGY: 1365000 721.3352 2072.4290 1955.1455 129.0140 -206325.4563 17877.9253 0.0000 0.0000 34404.4118 -149165.1954 300.4623 -183569.6072 -149066.6981 298.8375 52.5179 84.9767 555885.0441 5.7467 5.6588 PRESSURE: 1365200 -165.171 226.491 -64.5498 226.491 -52.6935 -4.18161 -64.5491 -4.18278 -65.6729 GPRESSURE: 1365200 -96.6744 200.516 -38.4307 201.113 -39.2206 -0.706005 -39.4623 11.8278 -42.5903 PRESSAVG: 1365200 30.749 19.1489 -71.5392 19.149 -27.9081 36.2487 -71.5391 36.2488 -19.295 GPRESSAVG: 1365200 30.1232 18.7829 -71.5192 18.7985 -26.6589 34.3902 -71.3447 36.6928 -19.5417 TIMING: 1365200 CPU: 4059.2, 0.002953/step Wall: 4059.2, 0.002953/step, 2.98154 hours remaining, 206.507812 MB of memory in use. ENERGY: 1365200 729.5823 2104.9365 1947.4836 112.7790 -206050.3741 17693.0478 0.0000 0.0000 34232.0283 -149230.5166 298.9568 -183462.5449 -149125.8366 299.1513 -94.5126 -59.4951 557961.0746 -5.4847 -5.3591 PRESSURE: 1365400 64.8817 48.16 70.6872 48.1616 19.6575 157.366 70.6869 157.365 -2.69862 GPRESSURE: 1365400 75.2677 51.3856 58.2003 -12.6393 72.871 149.674 139.686 235.223 44.9705 PRESSAVG: 1365400 28.5514 -14.6149 -6.4753 -14.615 -37.3288 42.6337 -6.47531 42.6338 -10.9045 GPRESSAVG: 1365400 28.5035 -14.031 -5.41644 -14.7665 -37.317 42.5012 -7.35777 41.2124 -11.4015 TIMING: 1365400 CPU: 4059.79, 0.00294457/step Wall: 4059.79, 0.00294457/step, 2.97288 hours remaining, 206.507812 MB of memory in use. ENERGY: 1365400 689.4114 2053.6538 1954.7126 109.7538 -206371.0952 17959.2141 0.0000 0.0000 34116.1165 -149488.2331 297.9445 -183604.3495 -149391.8830 297.7653 27.2802 64.3698 557447.0374 -6.5606 -6.7383 PRESSURE: 1365600 -75.4173 26.5712 29.6678 26.5694 59.4751 35.0408 29.6675 35.0404 17.7538 GPRESSURE: 1365600 44.4652 47.7954 -37.9536 87.932 76.5195 -49.7142 47.974 109.166 -35.7489 PRESSAVG: 1365600 37.3465 -5.16709 9.0469 -5.16705 -24.4589 57.0748 9.0469 57.0748 15.0198 GPRESSAVG: 1365600 38.1764 -3.59459 7.96209 -5.91549 -24.8173 58.8415 8.3622 57.3482 14.9566 TIMING: 1365600 CPU: 4060.38, 0.00295823/step Wall: 4060.38, 0.00295823/step, 2.9865 hours remaining, 206.507812 MB of memory in use. ENERGY: 1365600 729.3536 1988.8727 1951.7330 105.6277 -206112.0283 17630.6678 0.0000 0.0000 34332.5377 -149373.2358 299.8346 -183705.7735 -149277.9712 298.0122 0.6039 28.4119 556872.4968 9.3024 9.4386 PRESSURE: 1365800 -129.715 17.9578 -39.8889 17.9577 151.438 89.7519 -39.8875 89.7518 -10.8787 GPRESSURE: 1365800 -108.637 52.6275 -77.1704 -0.0669769 165.254 67.4924 -127.879 45.7316 37.0812 PRESSAVG: 1365800 -6.95911 -26.8309 20.5945 -26.8308 19.8284 53.7875 20.5944 53.7875 -13.3265 GPRESSAVG: 1365800 -7.89195 -27.555 20.0557 -26.5995 19.9217 53.4934 22.0343 52.6107 -12.5424 TIMING: 1365800 CPU: 4060.98, 0.00295203/step Wall: 4060.98, 0.00295203/step, 2.98008 hours remaining, 206.507812 MB of memory in use. ENERGY: 1365800 768.1432 2064.2314 1960.0565 99.7856 -206203.1094 17817.8607 0.0000 0.0000 34336.0376 -149156.9943 299.8652 -183493.0319 -149071.2473 298.7454 3.6148 31.2330 557991.1786 -0.1524 -0.1709 PRESSURE: 1366000 -211.745 109.154 32.3468 109.154 7.77462 58.1689 32.3468 58.1705 -12.2416 GPRESSURE: 1366000 -166.482 95.9183 48.7362 4.99628 63.927 69.6512 63.7498 21.8678 -24.4732 PRESSAVG: 1366000 -68.6661 23.3505 -25.1814 23.3506 36.0458 -22.8458 -25.1814 -22.8458 3.50939 GPRESSAVG: 1366000 -68.3395 24.7459 -24.7864 23.3801 36.0945 -24.5677 -24.8533 -21.2015 2.98368 TIMING: 1366000 CPU: 4061.57, 0.00296314/step Wall: 4061.57, 0.00296314/step, 2.99113 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: 1366000 761.1219 2063.9223 1954.3957 110.4590 -206450.0982 17975.5379 0.0000 0.0000 34389.0123 -149195.6491 300.3278 -183584.6614 -149095.5722 299.4973 -72.0705 -42.3428 557636.7391 -9.7036 -9.7538 PRESSURE: 1366200 45.9837 -74.2853 172.383 -74.2848 15.024 212.47 172.384 212.47 123.724 GPRESSURE: 1366200 109.208 -31.0998 169.394 -116.113 52.7111 127.387 184.755 177.731 111.407 PRESSAVG: 1366200 -65.4869 -18.3051 -18.3537 -18.3052 19.2749 79.8054 -18.3537 79.8054 50.9247 GPRESSAVG: 1366200 -65.0044 -19.3573 -17.3441 -19.1864 18.2779 80.7676 -18.6088 79.0006 51.1524 TIMING: 1366200 CPU: 4062.16, 0.00297827/step Wall: 4062.16, 0.00297827/step, 3.00623 hours remaining, 206.507812 MB of memory in use. ENERGY: 1366200 767.8816 2059.8615 1947.8626 109.9975 -206321.9916 18154.1792 0.0000 0.0000 34122.5419 -149159.6674 298.0006 -183282.2093 -149061.7091 299.7710 61.5774 91.1087 559344.6492 1.5709 1.4753 PRESSURE: 1366400 50.5364 -82.1392 -58.1094 -82.1376 219.009 208.525 -58.1088 208.526 214.38 GPRESSURE: 1366400 65.4547 -69.138 -1.17239 -26.0978 258.396 229.109 -91.6484 315.772 244.349 PRESSAVG: 1366400 -31.6076 17.001 37.0976 17.0009 12.6929 65.6027 37.0976 65.6028 58.1672 GPRESSAVG: 1366400 -33.8047 17.6943 36.8071 17.7792 15.0101 66.3439 35.9126 65.8441 58.3777 TIMING: 1366400 CPU: 4062.76, 0.00297268/step Wall: 4062.76, 0.00297268/step, 3.00043 hours remaining, 206.507812 MB of memory in use. ENERGY: 1366400 726.9933 2061.8935 1970.3812 113.9157 -206294.8996 18138.2985 0.0000 0.0000 34347.7534 -148935.6641 299.9675 -183283.4175 -148839.4234 299.4193 161.3085 189.3999 557684.8970 13.0842 13.1944 PRESSURE: 1366600 79.5037 -73.7815 -20.8865 -73.7822 193.415 -38.058 -20.8879 -38.056 224.975 GPRESSURE: 1366600 130.441 -73.8127 -23.9422 -73.8661 206.137 -29.4155 29.325 -25.5696 252.153 PRESSAVG: 1366600 -95.693 -10.0097 15.6965 -10.0096 35.0967 43.6619 15.6966 43.6619 59.9403 GPRESSAVG: 1366600 -93.5987 -11.9556 14.2642 -9.95181 33.3455 44.1881 17.9978 43.2086 59.3744 TIMING: 1366600 CPU: 4063.35, 0.00296442/step Wall: 4063.35, 0.00296442/step, 2.99192 hours remaining, 206.507812 MB of memory in use. ENERGY: 1366600 732.8478 2102.6619 1954.7154 114.6377 -206216.9773 17919.0398 0.0000 0.0000 34446.3006 -148946.7742 300.8281 -183393.0748 -148854.3155 300.2230 165.9646 196.2437 557609.0531 -0.2187 -0.2929 PRESSURE: 1366800 -120.043 67.3837 -85.0464 67.3837 -188.443 127.259 -85.0454 127.258 -239.303 GPRESSURE: 1366800 -97.5201 58.9197 -63.0993 50.5849 -165.136 116.073 -76.2855 89.5147 -202.95 PRESSAVG: 1366800 79.2705 -22.6102 -38.4768 -22.6102 -62.5889 37.5249 -38.4768 37.5249 -1.18296 GPRESSAVG: 1366800 78.1235 -19.7675 -36.9345 -23.4259 -63.2242 38.1659 -41.3055 36.7017 0.846587 TIMING: 1366800 CPU: 4063.95, 0.00297168/step Wall: 4063.95, 0.00297168/step, 2.99909 hours remaining, 206.507812 MB of memory in use. ENERGY: 1366800 737.6115 2082.6917 1933.5251 122.4076 -205754.3255 17571.0282 0.0000 0.0000 34405.4636 -148901.5978 300.4715 -183307.0614 -148813.0279 299.6958 -182.5965 -155.2021 559654.3088 5.1662 5.2486 PRESSURE: 1367000 -48.6826 -71.9664 219.974 -71.9665 -160.818 1.86975 219.975 1.87104 1.19828 GPRESSURE: 1367000 19.191 -74.9635 197.36 -25.082 -101.025 53.8151 156.901 -35.3564 -34.1353 PRESSAVG: 1367000 49.4729 37.0363 7.47025 37.0363 -81.4209 4.84578 7.47029 4.84586 37.0336 GPRESSAVG: 1367000 48.9868 36.1078 8.27695 39.8 -80.2679 2.94652 7.09693 6.31637 36.3384 TIMING: 1367000 CPU: 4064.54, 0.00295117/step Wall: 4064.54, 0.00295117/step, 2.97822 hours remaining, 206.507812 MB of memory in use. ENERGY: 1367000 743.9661 2060.1879 1948.1022 124.0445 -205501.6540 17637.9444 0.0000 0.0000 34269.2430 -148718.1657 299.2818 -182987.4088 -148618.6503 299.9037 -69.4341 -38.6563 558447.0202 1.6952 1.6858 PRESSURE: 1367200 -97.8116 -85.8561 -107.452 -85.8549 32.4034 -17.6363 -107.453 -17.638 -30.2956 GPRESSURE: 1367200 -50.9019 -52.4329 -33.403 -106.815 17.0689 -5.0153 -187.038 -7.09293 20.637 PRESSAVG: 1367200 -13.7372 -6.06044 -4.96694 -6.06052 -20.7468 -40.1378 -4.96692 -40.1379 13.7054 GPRESSAVG: 1367200 -12.7409 -8.31594 -6.28933 -5.74067 -20.77 -39.1989 -4.40634 -40.6857 12.9618 TIMING: 1367200 CPU: 4065.13, 0.00296657/step Wall: 4065.13, 0.00296657/step, 2.99359 hours remaining, 206.507812 MB of memory in use. ENERGY: 1367200 726.7549 2053.6240 1947.2287 124.0104 -205607.7137 17554.6852 0.0000 0.0000 34371.1450 -148830.2655 300.1718 -183201.4105 -148733.6357 300.5255 -31.9013 -4.3987 558235.5190 -6.9262 -6.8497 PRESSURE: 1367400 -108.972 -255.337 -111.216 -255.336 -243.646 106.411 -111.216 106.409 44.3657 GPRESSURE: 1367400 -77.78 -240.897 -176.463 -178.162 -204.629 180.759 -95.3426 33.5275 78.2124 PRESSAVG: 1367400 48.229 -7.28296 -28.6441 -7.28299 -0.982009 37.7306 -28.6441 37.7306 -11.6297 GPRESSAVG: 1367400 47.6004 -7.65136 -28.1106 -8.42186 -0.910359 39.923 -27.468 36.4127 -10.6642 TIMING: 1367400 CPU: 4065.73, 0.00300256/step Wall: 4065.73, 0.00300256/step, 3.02975 hours remaining, 206.507812 MB of memory in use. ENERGY: 1367400 748.6425 2015.2486 1933.4914 107.9687 -205865.2384 17778.7015 0.0000 0.0000 34209.4399 -149071.7457 298.7595 -183281.1856 -148971.8281 300.4700 -102.7506 -68.0654 558522.5384 11.8725 12.0086 PRESSURE: 1367600 157.675 39.3909 -57.5621 39.3918 -40.0074 140.713 -57.5617 140.712 87.9537 GPRESSURE: 1367600 137.158 46.6903 -85.8958 -57.0434 16.9189 106.824 -31.6825 73.12 151.619 PRESSAVG: 1367600 62.17 -19.0115 -19.0408 -19.0115 -32.5523 39.6153 -19.0408 39.6153 -55.3357 GPRESSAVG: 1367600 62.3253 -16.4151 -18.887 -19.6744 -32.8867 37.6761 -19.4454 39.6055 -55.2283 TIMING: 1367600 CPU: 4066.34, 0.00304235/step Wall: 4066.34, 0.00304235/step, 3.06973 hours remaining, 206.507812 MB of memory in use. ENERGY: 1367600 738.5240 2069.0936 1950.6271 118.6933 -206190.4280 17868.2063 0.0000 0.0000 34403.0066 -149042.2770 300.4500 -183445.2837 -148942.3418 299.8577 68.5404 101.8987 557861.7159 -8.5727 -8.5966 PRESSURE: 1367800 71.8612 -24.7228 -10.6978 -24.7221 154.136 -24.4909 -10.6974 -24.4907 106.121 GPRESSURE: 1367800 97.823 101.132 -22.3282 -63.2472 165.99 -38.8319 -50.431 -83.9343 152.728 PRESSAVG: 1367800 -16.0669 -15.6749 -19.4396 -15.6749 28.9183 19.7699 -19.4396 19.7699 -25.2801 GPRESSAVG: 1367800 -16.0076 -18.5799 -19.1534 -14.6244 29.7383 19.3185 -18.586 21.6847 -26.5098 TIMING: 1367800 CPU: 4066.94, 0.00303205/step Wall: 4066.94, 0.00303205/step, 3.05917 hours remaining, 206.507812 MB of memory in use. ENERGY: 1367800 753.7472 2030.4752 1959.6481 107.2956 -206321.7741 17915.9699 0.0000 0.0000 34406.7547 -149147.8834 300.4827 -183554.6381 -149054.8729 300.2221 110.7060 138.8470 557620.0911 -4.1429 -4.2597 PRESSURE: 1368000 152.072 128.566 137.074 128.567 91.9602 -12.0915 137.076 -12.0925 -54.9555 GPRESSURE: 1368000 201.753 220.572 119.606 106.962 127.284 51.3989 154.275 30.3168 -41.1365 PRESSAVG: 1368000 20.3911 26.4387 -17.0367 26.4387 55.4997 -56.9403 -17.0368 -56.9403 -47.9071 GPRESSAVG: 1368000 20.8754 29.4225 -20.1303 25.4038 54.8165 -57.6832 -15.3154 -57.2618 -47.4708 TIMING: 1368000 CPU: 4067.54, 0.00299157/step Wall: 4067.54, 0.00299157/step, 3.01816 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: 1368000 745.9696 2033.6204 1934.7893 111.3348 -206560.9296 18009.4415 0.0000 0.0000 34459.3738 -149266.4002 300.9423 -183725.7740 -149175.0385 299.4100 63.0255 95.9668 557354.9396 9.3279 9.4070 PRESSURE: 1368200 16.456 81.116 92.5934 81.116 -46.8968 40.0202 92.5931 40.0214 -15.6504 GPRESSURE: 1368200 42.6148 56.2828 90.4809 87.3705 -64.4198 -65.7874 91.7604 41.4834 60.7687 PRESSAVG: 1368200 -50.7901 15.4059 -35.2823 15.4059 -5.61419 -44.2338 -35.2823 -44.2338 49.0562 GPRESSAVG: 1368200 -50.3724 13.5597 -32.636 16.4591 -5.23702 -44.8209 -38.3486 -45.755 48.2942 TIMING: 1368200 CPU: 4068.14, 0.00300562/step Wall: 4068.14, 0.00300562/step, 3.03217 hours remaining, 206.507812 MB of memory in use. ENERGY: 1368200 744.8902 2046.6610 1945.9489 110.8757 -206059.4161 17649.1449 0.0000 0.0000 34281.4081 -149280.4873 299.3881 -183561.8954 -149184.3211 299.2050 -15.3637 12.9879 555789.9562 -2.4494 -2.4384 LDB: ============= START OF LOAD BALANCING ============== 4071.57 LDB: ============== END OF LOAD BALANCING =============== 4071.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4071.57 LDB: ============= START OF LOAD BALANCING ============== 4071.87 LDB: Largest compute 4847 load 0.028762 is 24.4% of average load 0.118051 LDB: Average compute 0.001719 is 1.5% of average load 0.118051 LDB: TIME 4071.87 LOAD: AVG 0.118051 MAX 0.198048 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 4071.87 LOAD: AVG 0.118051 MAX 0.198048 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.832 MB LDB: TIME 4071.87 LOAD: AVG 0.118051 MAX 0.198048 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4071.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4071.88 PRESSURE: 1368400 -61.1484 -31.2189 -234.721 -31.2195 342.031 21.7931 -234.721 21.7925 105.744 GPRESSURE: 1368400 -55.308 -64.4077 -200.943 -39.9446 412.619 21.0416 -193.832 5.69373 139.754 PRESSAVG: 1368400 -61.9338 41.5531 -37.8599 41.5531 87.0399 -30.1776 -37.8599 -30.1777 41.0105 GPRESSAVG: 1368400 -63.3412 43.9392 -35.6205 40.4171 87.7097 -29.2872 -38.0066 -29.499 42.0472 TIMING: 1368400 CPU: 4068.75, 0.00303313/step Wall: 4068.75, 0.00303313/step, 3.05975 hours remaining, 206.511719 MB of memory in use. ENERGY: 1368400 733.4516 2068.3952 1943.6001 105.5578 -206599.3243 18302.0367 0.0000 0.0000 34196.9501 -149249.3328 298.6505 -183446.2829 -149159.2623 298.7171 128.8758 165.6884 557714.6930 22.0389 22.1386 PRESSURE: 1368600 -38.4965 127.459 -115.236 127.458 200.084 -45.7104 -115.236 -45.7103 -221.42 GPRESSURE: 1368600 -6.89548 118.643 -59.495 116.261 181.612 -58.8112 -65.141 -145.416 -148.318 PRESSAVG: 1368600 -50.1567 34.3463 -33.1327 34.3463 43.9686 -27.6638 -33.1326 -27.6638 11.0005 GPRESSAVG: 1368600 -49.3788 34.2027 -34.7383 34.5645 43.8139 -27.2482 -32.5727 -28.5111 10.2681 TIMING: 1368600 CPU: 4069.35, 0.00297502/step Wall: 4069.35, 0.00297502/step, 3.00097 hours remaining, 206.714844 MB of memory in use. ENERGY: 1368600 691.2936 2003.5806 1949.2306 129.1284 -205920.9365 17684.9018 0.0000 0.0000 34244.1775 -149218.6241 299.0629 -183462.8016 -149120.1399 299.3139 -19.9440 8.7995 558092.8066 1.6041 1.5677 PRESSURE: 1368800 -61.3347 109.445 -65.96 109.446 -64.4269 57.312 -65.9601 57.3122 365.673 GPRESSURE: 1368800 -31.0373 98.6606 -26.3024 84.0401 -21.226 78.4299 -93.6774 14.4129 390.136 PRESSAVG: 1368800 -39.5788 57.0061 -29.0038 57.0061 90.93 -9.8026 -29.0039 -9.80272 -50.204 GPRESSAVG: 1368800 -38.9787 56.0672 -29.0086 56.0439 90.2403 -10.7509 -29.0533 -8.89135 -50.0369 TIMING: 1368800 CPU: 4069.94, 0.00296123/step Wall: 4069.94, 0.00296123/step, 2.98689 hours remaining, 206.714844 MB of memory in use. ENERGY: 1368800 727.2853 2089.4370 1974.2805 128.8967 -206431.3023 18010.4495 0.0000 0.0000 34356.7536 -149144.1996 300.0461 -183500.9532 -149055.8443 299.5237 79.9706 112.6241 558253.0889 0.3824 0.4082 PRESSURE: 1369000 1.20572 51.2695 73.1691 51.2689 -336.37 -46.4837 73.1714 -46.4818 -51.754 GPRESSURE: 1369000 48.1651 17.9838 46.3115 51.228 -267.57 4.26128 103.948 -89.1411 -76.5965 PRESSAVG: 1369000 -18.0919 22.6897 31.7084 22.6897 3.19685 44.3991 31.7084 44.3992 -6.43178 GPRESSAVG: 1369000 -18.2521 23.1085 31.6189 23.7135 3.48691 43.0855 32.877 45.6372 -6.57334 TIMING: 1369000 CPU: 4070.53, 0.00296842/step Wall: 4070.53, 0.00296842/step, 2.99398 hours remaining, 206.714844 MB of memory in use. ENERGY: 1369000 763.1005 2022.8729 1972.9449 105.3233 -206357.4521 17818.1535 0.0000 0.0000 34431.9921 -149243.0649 300.7032 -183675.0570 -149143.0042 299.3700 -128.9727 -98.6673 558045.6708 -7.1089 -7.1128 PRESSURE: 1369200 -204.284 -122.892 -58.556 -122.892 433.723 -135.721 -58.5557 -135.72 101.718 GPRESSURE: 1369200 -167.634 -116.519 -99.2636 -187.375 403.336 -132.003 -31.077 -93.0191 198.503 PRESSAVG: 1369200 -30.6166 -3.48708 -11.0201 -3.48708 68.6156 -31.4714 -11.0202 -31.4714 -62.7289 GPRESSAVG: 1369200 -30.3682 -2.78777 -9.22531 -3.99789 68.4601 -32.1417 -12.3236 -32.9058 -62.2228 TIMING: 1369200 CPU: 4071.12, 0.0029681/step Wall: 4071.12, 0.0029681/step, 2.9935 hours remaining, 206.714844 MB of memory in use. ENERGY: 1369200 747.4295 2020.3537 1950.0904 122.5070 -206344.5053 17971.3634 0.0000 0.0000 34305.7941 -149226.9671 299.6010 -183532.7613 -149127.6405 299.2588 110.3858 144.7348 557604.0657 -8.2433 -8.0436 PRESSURE: 1369400 -16.03 -80.2744 -136.248 -80.2755 107.296 -177.432 -136.247 -177.433 -133.679 GPRESSURE: 1369400 56.9112 -33.4657 -67.1858 -79.8508 108.774 -113.929 -179.021 -310.891 -117.501 PRESSAVG: 1369400 -37.3992 -49.6373 3.39388 -49.6374 45.4288 -38.6853 3.39393 -38.6854 0.900682 GPRESSAVG: 1369400 -36.8464 -49.9003 4.00673 -49.8801 44.5807 -35.5549 3.61056 -38.8759 1.51424 TIMING: 1369400 CPU: 4071.72, 0.00296473/step Wall: 4071.72, 0.00296473/step, 2.98993 hours remaining, 206.714844 MB of memory in use. ENERGY: 1369400 745.0691 2084.9532 1959.0366 111.7112 -206247.6822 17809.2327 0.0000 0.0000 34410.1347 -149127.5447 300.5123 -183537.6794 -149033.5914 299.6036 -14.1375 16.0615 558558.3623 2.9768 3.0828 PRESSURE: 1369600 112.333 -45.4098 -92.0821 -45.4105 -129.338 66.6888 -92.0819 66.687 -281.7 GPRESSURE: 1369600 157.936 -22.498 -134.001 -81.1466 -71.1984 57.745 -83.2031 -1.11006 -289.119 PRESSAVG: 1369600 18.0217 5.93021 -1.68751 5.93019 14.403 -61.7732 -1.68754 -61.7733 -62.4251 GPRESSAVG: 1369600 17.8437 4.09446 -4.85328 8.31236 15.8643 -61.3986 -1.36137 -62.5665 -63.7027 TIMING: 1369600 CPU: 4072.31, 0.00297913/step Wall: 4072.31, 0.00297913/step, 3.00428 hours remaining, 206.714844 MB of memory in use. ENERGY: 1369600 718.5962 2087.3450 1942.7678 106.9292 -205835.9877 17626.8141 0.0000 0.0000 34347.7943 -149005.7409 299.9678 -183353.5353 -148905.6171 299.6491 -99.5683 -67.4605 558109.5980 -10.0001 -9.9982 PRESSURE: 1369800 -24.1406 -110.886 7.58807 -110.886 162.106 56.0009 7.59 56.0003 -4.67214 GPRESSURE: 1369800 4.52782 -201.055 -22.0705 -41.0977 131.681 101.598 4.8194 61.3773 98.2321 PRESSAVG: 1369800 49.5086 -100.885 -16.5817 -100.885 3.86393 12.3921 -16.5817 12.3921 -18.1638 GPRESSAVG: 1369800 50.1327 -98.166 -14.0293 -102.445 2.02998 11.1007 -17.8691 13.048 -17.2464 TIMING: 1369800 CPU: 4072.91, 0.00299331/step Wall: 4072.91, 0.00299331/step, 3.01842 hours remaining, 206.714844 MB of memory in use. ENERGY: 1369800 732.0472 2115.1935 1940.9179 108.2142 -205999.7157 17894.9557 0.0000 0.0000 34324.4582 -148883.9290 299.7640 -183208.3873 -148793.0414 299.7260 44.4312 78.1469 558349.4653 11.7363 11.6388 PRESSURE: 1370000 -114.732 -65.1123 231.056 -65.1136 -158.785 53.1675 231.056 53.1667 -81.6686 GPRESSURE: 1370000 -50.9484 -66.8316 232.171 -25.262 -184.802 118.382 255.613 37.284 -21.7525 PRESSAVG: 1370000 38.0002 0.977376 34.2257 0.97731 -19.3116 -27.8979 34.2258 -27.8979 -46.5578 GPRESSAVG: 1370000 36.4128 -0.28918 33.1298 2.54365 -18.294 -25.4343 34.0452 -29.3414 -46.5243 TIMING: 1370000 CPU: 4073.51, 0.00299599/step Wall: 4073.51, 0.00299599/step, 3.02096 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: 1370000 767.2393 2063.8604 1957.8672 110.1834 -205740.4144 17631.6892 0.0000 0.0000 34253.8358 -148955.7391 299.1473 -183209.5749 -148856.5524 299.5164 -118.3953 -85.8341 558923.1919 -9.2897 -9.4685 PRESSURE: 1370200 23.7295 47.9549 51.9115 47.955 -203.319 5.65657 51.9126 5.65601 -476.032 GPRESSURE: 1370200 32.4556 60.3724 92.6591 50.2622 -159.585 20.4756 -0.0458773 12.987 -431.852 PRESSAVG: 1370200 69.8793 7.20394 85.4322 7.2039 32.4637 36.195 85.4321 36.195 -80.0694 GPRESSAVG: 1370200 69.5314 7.38349 85.3529 4.53565 32.6384 32.2579 86.3603 37.457 -80.3702 TIMING: 1370200 CPU: 4074.11, 0.00299233/step Wall: 4074.11, 0.00299233/step, 3.0171 hours remaining, 206.714844 MB of memory in use. ENERGY: 1370200 742.7290 2114.0834 1940.7534 113.0659 -205459.2806 17463.0475 0.0000 0.0000 33974.9929 -149110.6086 296.7121 -183085.6015 -149021.3389 300.0719 -218.5405 -186.3270 558371.3947 7.4246 7.2665 PRESSURE: 1370400 -58.7714 39.6937 -185.196 39.6927 188.806 96.6511 -185.197 96.6523 405.855 GPRESSURE: 1370400 -51.3911 157.808 -217.401 22.5331 242.324 73.901 -138.069 58.3445 430.334 PRESSAVG: 1370400 64.1026 8.5342 -85.3053 8.53432 -4.73898 -2.38656 -85.3053 -2.38657 27.1906 GPRESSAVG: 1370400 65.0784 9.2811 -85.0509 10.6 -5.35554 -2.88434 -84.9366 -0.816075 26.9579 TIMING: 1370400 CPU: 4074.71, 0.00298244/step Wall: 4074.71, 0.00298244/step, 3.00696 hours remaining, 206.714844 MB of memory in use. ENERGY: 1370400 736.8062 2099.4181 1960.5110 109.9502 -206217.3112 18004.2850 0.0000 0.0000 34391.5573 -148914.7832 300.3500 -183306.3405 -148813.9286 299.9848 178.6299 207.0892 556043.1253 28.8514 28.8936 PRESSURE: 1370600 121.868 98.263 -17.244 98.2623 20.8525 -60.3635 -17.2433 -60.3648 208.797 GPRESSURE: 1370600 178.127 103.332 -19.1505 86.5505 58.8696 5.93249 -67.2272 -44.5232 208.611 PRESSAVG: 1370600 -50.853 24.8923 -23.6211 24.8923 19.1821 -7.50455 -23.621 -7.50442 29.8884 GPRESSAVG: 1370600 -50.6762 23.026 -25.738 27.2204 19.1582 -7.97708 -23.6379 -7.32364 29.7261 TIMING: 1370600 CPU: 4075.31, 0.00299506/step Wall: 4075.31, 0.00299506/step, 3.01952 hours remaining, 206.714844 MB of memory in use. ENERGY: 1370600 733.5445 2082.5698 1955.9295 122.2459 -206256.2802 18014.9800 0.0000 0.0000 34436.3834 -148910.6271 300.7415 -183347.0106 -148813.5768 300.0651 117.1725 148.5356 557176.9971 -0.5941 -0.5973 PRESSURE: 1370800 -134.587 154.289 11.2391 154.288 -25.2227 -17.2428 11.2397 -17.2422 161.78 GPRESSURE: 1370800 -59.6172 200.945 40.0073 124.034 1.73577 53.7282 28.3997 6.28011 152.218 PRESSAVG: 1370800 57.0612 44.6542 -30.8068 44.6542 -27.6229 -4.77986 -30.8069 -4.77992 1.72527 GPRESSAVG: 1370800 56.9541 46.0638 -27.2406 42.1052 -27.3554 -2.05872 -31.9582 -6.19143 1.23413 TIMING: 1370800 CPU: 4075.91, 0.00301646/step Wall: 4075.91, 0.00301646/step, 3.04093 hours remaining, 206.714844 MB of memory in use. ENERGY: 1370800 761.2816 2048.5584 1950.9818 121.9235 -205961.2337 17782.1269 0.0000 0.0000 34181.6607 -149114.7008 298.5169 -183296.3615 -149017.8466 299.4955 0.6568 31.4456 558209.5917 10.3879 10.2776 PRESSURE: 1371000 -490.727 20.0188 -66.0074 20.0179 -268.65 33.5351 -66.0078 33.537 -99.3204 GPRESSURE: 1371000 -447.075 -55.9779 -94.3858 -36.6951 -251.97 38.1885 -114.759 48.3709 -54.6336 PRESSAVG: 1371000 -46.2583 117.116 -56.2048 117.116 25.9899 18.4571 -56.2048 18.4572 16.294 GPRESSAVG: 1371000 -46.1978 115.056 -58.5114 121.669 26.0188 16.9653 -55.033 20.8749 16.3482 TIMING: 1371000 CPU: 4076.51, 0.00299021/step Wall: 4076.51, 0.00299021/step, 3.0143 hours remaining, 206.714844 MB of memory in use. ENERGY: 1371000 767.8499 2120.9973 1942.1918 115.0932 -205800.7039 17526.3753 0.0000 0.0000 34285.9321 -149042.2643 299.4276 -183328.1964 -148948.6571 299.4928 -286.2325 -251.2261 557248.1953 -1.3248 -1.2769 PRESSURE: 1371200 -16.1869 7.97237 -3.74054 7.97302 36.7531 -83.6144 -3.74202 -83.6138 -150.018 GPRESSURE: 1371200 48.0767 8.06409 -58.2428 -33.2152 63.6806 -73.3975 24.1702 -46.9632 -154.095 PRESSAVG: 1371200 -13.5892 60.1613 -24.8142 60.1612 77.4552 7.48696 -24.8143 7.48696 -76.6582 GPRESSAVG: 1371200 -13.3569 62.0989 -24.8984 57.249 78.1983 7.57871 -24.2821 7.5168 -77.7546 TIMING: 1371200 CPU: 4077.11, 0.00299491/step Wall: 4077.11, 0.00299491/step, 3.01887 hours remaining, 206.714844 MB of memory in use. ENERGY: 1371200 764.5821 2089.1187 1932.4797 107.2500 -206049.9898 17735.6343 0.0000 0.0000 34153.2037 -149267.7212 298.2684 -183420.9249 -149179.1260 299.4480 -43.1507 -14.1125 557109.4027 -4.2641 -4.3044 PRESSURE: 1371400 58.9592 103.663 -151.996 103.664 271.952 -12.9553 -151.996 -12.954 202.165 GPRESSURE: 1371400 70.6075 118.294 -179.438 134.88 285.3 -6.60982 -141.571 -117.229 268.453 PRESSAVG: 1371400 -25.0263 39.282 17.4323 39.282 -6.87282 -42.0718 17.4323 -42.0716 33.0348 GPRESSAVG: 1371400 -25.4044 38.7843 18.8869 41.2946 -7.89102 -42.6597 17.0238 -43.5845 33.9883 TIMING: 1371400 CPU: 4077.7, 0.00296842/step Wall: 4077.7, 0.00296842/step, 2.992 hours remaining, 206.714844 MB of memory in use. ENERGY: 1371400 711.7909 2068.8053 1945.7357 112.9822 -206745.1728 18231.1138 0.0000 0.0000 34328.9586 -149345.7863 299.8033 -183674.7449 -149248.3997 298.5367 177.6920 208.1202 556552.4142 0.3785 0.2309 PRESSURE: 1371600 94.5102 106.094 -112.734 106.096 36.4516 -61.874 -112.735 -61.874 72.6587 GPRESSURE: 1371600 172.338 61.4858 -51.2986 136.527 129.724 -95.1086 -90.3276 -48.9872 -0.27628 PRESSAVG: 1371600 45.2455 40.3962 -10.7541 40.3963 -22.3773 -19.268 -10.7541 -19.2681 -15.2208 GPRESSAVG: 1371600 44.7057 42.0806 -11.1908 37.6161 -20.5509 -17.9514 -12.1428 -18.9069 -16.7494 TIMING: 1371600 CPU: 4078.29, 0.00295349/step Wall: 4078.29, 0.00295349/step, 2.97679 hours remaining, 206.714844 MB of memory in use. ENERGY: 1371600 722.9114 2061.5817 1937.5005 125.2987 -206293.2554 17880.4761 0.0000 0.0000 34372.0431 -149193.4438 300.1796 -183565.4870 -149097.5019 298.8922 67.8735 100.5952 555142.2025 2.5491 2.4685 PRESSURE: 1371800 -36.3544 -20.0717 36.616 -20.0723 -67.1537 181.841 36.6157 181.84 12.3057 GPRESSURE: 1371800 17.6334 17.9251 -10.8188 -37.4667 -48.1323 180.217 109.777 197.922 19.7151 PRESSAVG: 1371800 -23.3081 -8.27613 14.4004 -8.27603 -66.9401 19.587 14.4004 19.587 55.7388 GPRESSAVG: 1371800 -23.4071 -11.4083 14.3005 -7.32997 -69.0185 21.7069 15.6695 16.8808 57.9332 TIMING: 1371800 CPU: 4078.88, 0.00296504/step Wall: 4078.88, 0.00296504/step, 2.98826 hours remaining, 206.714844 MB of memory in use. ENERGY: 1371800 714.8078 2065.2848 1938.3845 103.6655 -205753.2331 17415.4449 0.0000 0.0000 34218.8432 -149296.8025 298.8417 -183515.6457 -149199.7940 299.4902 -30.4008 -3.5946 555143.8998 -11.5031 -11.4974 PRESSURE: 1372000 193.524 -109.304 111.183 -109.303 -208.526 -93.4593 111.185 -93.4601 211.274 GPRESSURE: 1372000 181.021 -44.6841 46.8016 -128.998 -161.003 -134.043 99.0333 1.55866 261.716 PRESSAVG: 1372000 48.8728 -13.5107 25.7896 -13.5108 4.79172 28.0988 25.7896 28.0988 -23.0019 GPRESSAVG: 1372000 49.9742 -11.7016 26.1986 -14.528 4.97751 25.5616 26.2162 29.8458 -24.0556 TIMING: 1372000 CPU: 4079.47, 0.00295256/step Wall: 4079.47, 0.00295256/step, 2.97552 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: 1372000 710.6365 2073.5411 1946.3721 104.3720 -206508.5657 17916.1852 0.0000 0.0000 34354.7305 -149402.7285 300.0284 -183757.4589 -149301.5361 298.9555 65.4240 93.9115 555843.2768 10.2209 10.2987 PRESSURE: 1372200 4.61467 -21.0731 102.695 -21.0725 75.2564 158.874 102.696 158.872 -165.822 GPRESSURE: 1372200 27.6078 -27.6371 128.934 -88.1944 70.5248 143.051 162.036 165.788 -79.7171 PRESSAVG: 1372200 3.25311 -62.2994 -8.63996 -62.2994 18.042 20.4524 -8.63994 20.4524 -6.64506 GPRESSAVG: 1372200 5.10428 -63.1455 -8.9799 -61.1844 17.923 20.9072 -8.83887 21.0652 -8.09566 TIMING: 1372200 CPU: 4080.07, 0.00299364/step Wall: 4080.07, 0.00299364/step, 3.01675 hours remaining, 206.714844 MB of memory in use. ENERGY: 1372200 723.7675 2109.5699 1927.0640 113.0537 -206139.6861 17895.7408 0.0000 0.0000 34019.6704 -149350.8197 297.1022 -183370.4901 -149260.3095 299.1630 -28.6504 6.1385 558960.7922 4.8833 4.9772 LDB: ============= START OF LOAD BALANCING ============== 4083.5 LDB: ============== END OF LOAD BALANCING =============== 4083.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4083.5 LDB: ============= START OF LOAD BALANCING ============== 4083.8 LDB: Largest compute 4821 load 0.027111 is 23.0% of average load 0.118017 LDB: Average compute 0.001712 is 1.5% of average load 0.118017 LDB: TIME 4083.8 LOAD: AVG 0.118017 MAX 0.200824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.195 MB LDB: TIME 4083.8 LOAD: AVG 0.118017 MAX 0.200824 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.266 MB LDB: TIME 4083.8 LOAD: AVG 0.118017 MAX 0.200824 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.266 MB LDB: ============== END OF LOAD BALANCING =============== 4083.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4083.81 PRESSURE: 1372400 31.2067 33.2108 -161.955 33.2117 -83.6184 133.19 -161.956 133.192 -174.519 GPRESSURE: 1372400 105.28 17.7709 -116.999 24.1798 -42.0766 166.029 -166.15 118.868 -197.885 PRESSAVG: 1372400 9.95227 14.8318 19.6859 14.8318 -46.8177 10.387 19.686 10.3871 11.4601 GPRESSAVG: 1372400 9.90249 13.4685 21.0445 15.2527 -47.1211 12.0142 18.1775 10.4589 12.0411 TIMING: 1372400 CPU: 4080.68, 0.00303691/step Wall: 4080.68, 0.00303691/step, 3.06019 hours remaining, 206.507812 MB of memory in use. ENERGY: 1372400 749.4472 2074.5044 1958.5291 113.2119 -206473.4066 17740.1695 0.0000 0.0000 34340.3365 -149497.2081 299.9027 -183837.5445 -149398.1420 298.6470 -75.6435 -44.8940 557107.6898 -8.4684 -8.3925 PRESSURE: 1372600 -24.503 70.2116 32.2008 70.2133 26.7806 150.923 32.1994 150.924 -118.345 GPRESSURE: 1372600 -1.48009 82.5988 38.4042 30.6128 -14.0113 129.966 17.6213 118.547 -3.40047 PRESSAVG: 1372600 -27.9971 49.5878 19.6655 49.5878 4.70561 -13.8935 19.6656 -13.8935 50.0493 GPRESSAVG: 1372600 -28.9374 50.9963 20.7286 48.0182 5.27758 -15.6877 20.1345 -13.8644 51.0442 TIMING: 1372600 CPU: 4081.28, 0.00300234/step Wall: 4081.28, 0.00300234/step, 3.02519 hours remaining, 206.507812 MB of memory in use. ENERGY: 1372600 729.8503 2069.5357 1949.2956 97.6283 -206173.6782 17669.2149 0.0000 0.0000 34191.8701 -149466.2833 298.6061 -183658.1534 -149363.5441 298.7966 -38.6892 -6.2973 558674.2115 8.9193 9.1281 PRESSURE: 1372800 157.399 -107.052 -48.5454 -107.05 -61.6745 107.042 -48.5456 107.039 176.949 GPRESSURE: 1372800 202.266 -98.8269 -117.06 -91.2557 -15.7698 143.022 29.9466 146.498 171.346 PRESSAVG: 1372800 6.50759 -35.27 -17.5466 -35.27 4.06697 10.4697 -17.5466 10.4697 -16.5989 GPRESSAVG: 1372800 6.34635 -34.2897 -19.0954 -34.9702 4.5378 9.1857 -17.3586 12.4271 -17.1767 TIMING: 1372800 CPU: 4081.88, 0.00298226/step Wall: 4081.88, 0.00298226/step, 3.00479 hours remaining, 206.507812 MB of memory in use. ENERGY: 1372800 735.1013 2085.3993 1953.8508 104.9244 -206437.5661 17979.7529 0.0000 0.0000 34234.9393 -149343.5982 298.9822 -183578.5375 -149252.6662 298.3513 90.8913 119.2807 557780.5685 -2.0081 -2.0975 PRESSURE: 1373000 -105.833 -14.0652 -88.8095 -14.065 -39.1914 -4.93141 -88.8109 -4.93183 -169.78 GPRESSURE: 1373000 -126.044 -38.3035 -143.125 88.3175 58.0003 -16.1839 -55.195 -4.24499 -144.698 PRESSAVG: 1373000 7.1146 15.3304 -8.49562 15.3303 55.0063 49.9624 -8.49566 49.9625 -70.0269 GPRESSAVG: 1373000 6.7185 13.8635 -8.42 17.3454 54.5523 53.3141 -8.70436 48.2161 -68.9961 TIMING: 1373000 CPU: 4082.47, 0.00297044/step Wall: 4082.47, 0.00297044/step, 2.99271 hours remaining, 206.507812 MB of memory in use. ENERGY: 1373000 773.5998 2116.3627 1945.7393 101.9010 -206190.0262 17590.2567 0.0000 0.0000 34288.9787 -149373.1881 299.4542 -183662.1668 -149288.4892 298.1661 -104.9347 -70.9140 557027.5744 -2.6353 -2.5751 PRESSURE: 1373200 76.616 -34.2024 -64.1253 -34.2013 45.6322 34.5145 -64.1245 34.5142 -206.348 GPRESSURE: 1373200 153.664 51.8906 -82.2711 -69.0999 35.6306 41.4089 -32.0504 -17.5565 -181.513 PRESSAVG: 1373200 97.6756 -26.2225 6.40142 -26.2226 19.9401 -1.87644 6.40148 -1.87636 -88.3236 GPRESSAVG: 1373200 98.0755 -23.5176 7.06756 -28.7548 20.196 -3.53684 5.9754 -1.58437 -88.6023 TIMING: 1373200 CPU: 4083.07, 0.0029803/step Wall: 4083.07, 0.0029803/step, 3.00248 hours remaining, 206.507812 MB of memory in use. ENERGY: 1373200 740.7303 2113.4694 1921.2334 121.7457 -206051.9040 17729.5064 0.0000 0.0000 34253.7686 -149171.4501 299.1467 -183425.2188 -149070.9580 298.8213 -28.0331 2.5938 557020.7952 9.7640 9.8897 PRESSURE: 1373400 -81.0774 172.298 -225.547 172.298 -61.9901 63.5845 -225.547 63.5845 8.70803 GPRESSURE: 1373400 -55.9317 152.093 -292.149 195.134 -50.7231 73.5542 -204.21 -7.23328 65.7268 PRESSAVG: 1373400 53.8264 -11.8764 -11.0585 -11.8765 67.1119 -29.5178 -11.0583 -29.5178 -73.3489 GPRESSAVG: 1373400 54.0491 -15.0962 -13.3794 -9.42118 65.9707 -30.8127 -10.9287 -29.4036 -72.4604 TIMING: 1373400 CPU: 4083.66, 0.00295674/step Wall: 4083.66, 0.00295674/step, 2.97859 hours remaining, 206.507812 MB of memory in use. ENERGY: 1373400 799.2993 2138.2354 1944.8665 98.7253 -206326.3445 17930.2758 0.0000 0.0000 34107.6531 -149307.2890 297.8706 -183414.9421 -149208.8139 299.0535 -44.7865 -13.6427 557150.5955 15.8631 15.8531 PRESSURE: 1373600 -140.07 21.8784 -64.0238 21.8772 -178.552 37.4544 -64.0239 37.4545 -212.59 GPRESSURE: 1373600 -67.7471 40.2138 42.8762 -4.52744 -169.897 61.1047 -76.7009 56.4485 -192.736 PRESSAVG: 1373600 26.3081 -2.42791 -63.5704 -2.4278 -7.30155 -21.1125 -63.5704 -21.1126 7.50638 GPRESSAVG: 1373600 27.5547 0.307587 -62.3779 -5.40012 -6.17845 -20.0266 -63.6075 -20.7041 5.20552 TIMING: 1373600 CPU: 4084.25, 0.00297168/step Wall: 4084.25, 0.00297168/step, 2.99347 hours remaining, 206.507812 MB of memory in use. ENERGY: 1373600 776.3526 2158.1636 1927.6920 119.9993 -206295.1577 17767.2759 0.0000 0.0000 34204.3931 -149341.2812 298.7155 -183545.6743 -149240.0328 299.1823 -177.0705 -143.4600 559064.6611 8.8376 8.8606 PRESSURE: 1373800 -293.374 186.861 43.6535 186.86 14.0134 -96.1748 43.654 -96.1758 -70.4873 GPRESSURE: 1373800 -261.134 177.076 122.559 181.193 49.2319 -114.872 7.99762 -39.8385 -61.019 PRESSAVG: 1373800 73.8706 4.60669 28.5966 4.6067 -29.9454 33.6847 28.5966 33.6846 -30.9948 GPRESSAVG: 1373800 72.6577 2.3067 27.7853 8.76123 -30.4391 34.3451 27.1907 34.5749 -30.0948 TIMING: 1373800 CPU: 4084.85, 0.00297679/step Wall: 4084.85, 0.00297679/step, 2.99846 hours remaining, 206.507812 MB of memory in use. ENERGY: 1373800 742.8929 2105.1853 1955.5949 117.1910 -206202.0966 17758.8860 0.0000 0.0000 34146.0064 -149376.3402 298.2056 -183522.3466 -149272.4990 299.4213 -116.6159 -90.9735 558845.0322 4.3102 4.0413 PRESSURE: 1374000 118.626 145.08 -44.551 145.08 270.277 35.7762 -44.5513 35.7751 221.448 GPRESSURE: 1374000 125.278 127.845 -28.7633 130.669 309.921 72.6919 -122.141 51.121 264.045 PRESSAVG: 1374000 25.5019 50.3703 -1.35561 50.3702 -8.01533 -70.8463 -1.3556 -70.8463 -20.4129 GPRESSAVG: 1374000 26.0619 51.7873 -0.776596 46.9703 -8.63204 -73.7431 -0.529817 -70.2028 -20.5466 TIMING: 1374000 CPU: 4085.45, 0.00298947/step Wall: 4085.45, 0.00298947/step, 3.01106 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: 1374000 755.4315 2109.7251 1959.5805 110.9218 -206550.8947 18196.9168 0.0000 0.0000 34040.1943 -149378.1248 297.2815 -183418.3191 -149290.3460 298.6113 203.4501 233.0813 557643.6453 -0.9754 -1.0389 PRESSURE: 1374200 59.7703 20.2205 -65.3436 20.2215 -41.9393 -140.038 -65.3426 -140.039 177.878 GPRESSURE: 1374200 109.179 -84.559 -10.9089 46.4191 -41.3692 -121.235 38.206 -217.318 232.051 PRESSAVG: 1374200 -20.7846 3.12308 -9.47558 3.12312 34.9772 34.6589 -9.47564 34.6589 -17.9861 GPRESSAVG: 1374200 -21.2017 0.832917 -9.90283 5.69558 35.6067 38.6434 -8.26731 32.2232 -18.0863 TIMING: 1374200 CPU: 4086.04, 0.00298358/step Wall: 4086.04, 0.00298358/step, 3.00496 hours remaining, 206.507812 MB of memory in use. ENERGY: 1374200 722.5327 2005.8591 1950.7226 115.5991 -206254.9638 17878.1564 0.0000 0.0000 34255.4696 -149326.6244 299.1615 -183582.0940 -149222.2630 298.3982 65.2363 99.9538 557361.0625 -1.2645 -1.2271 PRESSURE: 1374400 -184.206 7.93313 -65.5656 7.93372 -74.1907 150.596 -65.5638 150.594 -370.357 GPRESSURE: 1374400 -16.0022 -34.9763 -93.3762 55.6533 -70.1779 162.508 -30.2761 219.511 -438.295 PRESSAVG: 1374400 46.7064 28.1034 -45.9536 28.1035 -13.9506 23.9352 -45.9537 23.9351 -40.1404 GPRESSAVG: 1374400 47.2987 31.1174 -46.5515 27.6082 -15.0961 20.2459 -46.9398 24.8763 -39.5299 TIMING: 1374400 CPU: 4086.64, 0.00299737/step Wall: 4086.64, 0.00299737/step, 3.01868 hours remaining, 206.507812 MB of memory in use. ENERGY: 1374400 750.7697 2118.8839 1954.4579 126.7903 -206168.4429 17527.1354 0.0000 0.0000 34332.6330 -149357.7729 299.8354 -183690.4058 -149262.1420 298.7071 -209.5846 -174.8250 557716.3907 -2.4615 -2.4425 PRESSURE: 1374600 -28.1743 -146.99 184.481 -146.991 -103.487 -138.556 184.482 -138.556 -231.607 GPRESSURE: 1374600 26.9875 -140.384 181.853 -151.696 -72.7513 -32.9328 192.454 -178.319 -219.917 PRESSAVG: 1374600 64.0894 -16.8383 14.4746 -16.8382 8.78595 47.0107 14.4746 47.0106 -67.6714 GPRESSAVG: 1374600 63.1234 -18.4085 15.6937 -16.1489 9.90367 48.8598 13.9931 46.6944 -68.3798 TIMING: 1374600 CPU: 4087.24, 0.00299599/step Wall: 4087.24, 0.00299599/step, 3.01713 hours remaining, 206.507812 MB of memory in use. ENERGY: 1374600 701.4308 2120.4594 1973.1278 106.3896 -205928.8618 17483.4633 0.0000 0.0000 34141.5467 -149402.4442 298.1666 -183543.9910 -149297.5984 298.8265 -121.0893 -88.5602 556630.0269 1.7347 1.5491 PRESSURE: 1374800 -191.539 91.1486 -21.7395 91.1486 -174.171 -140.615 -21.7401 -140.614 -189.199 GPRESSURE: 1374800 -173.826 75.2311 -36.0353 67.7814 -161.242 -136.941 -18.9095 -180.89 -127.828 PRESSAVG: 1374800 24.3964 1.20094 24.4775 1.20098 -37.3907 31.2104 24.4775 31.2105 0.0102384 GPRESSAVG: 1374800 24.8036 2.40176 25.0622 -1.47006 -37.5956 29.8768 25.2018 30.9534 -0.569322 TIMING: 1374800 CPU: 4087.84, 0.00298702/step Wall: 4087.84, 0.00298702/step, 3.00793 hours remaining, 206.507812 MB of memory in use. ENERGY: 1374800 749.0954 2087.0262 1934.2796 110.2452 -206185.9466 17675.2928 0.0000 0.0000 34149.2247 -149480.7827 298.2337 -183630.0073 -149382.6239 298.8024 -184.9697 -154.2984 558155.2877 -4.3280 -4.4538 PRESSURE: 1375000 -39.9035 -2.9156 107.697 -2.91635 -179.857 -55.135 107.697 -55.1355 99.2375 GPRESSURE: 1375000 53.1979 30.485 200.501 -60.9664 -166.478 99.3035 22.6024 -109.095 97.7908 PRESSAVG: 1375000 45.499 -18.1588 -42.7615 -18.1588 18.2397 -34.5953 -42.7615 -34.5953 1.71896 GPRESSAVG: 1375000 43.991 -18.7084 -44.4523 -16.1401 18.6971 -34.5152 -44.132 -35.3391 2.30831 TIMING: 1375000 CPU: 4088.44, 0.00298733/step Wall: 4088.44, 0.00298733/step, 3.00808 hours remaining, 206.507812 MB of memory in use. ENERGY: 1375000 736.5961 2117.6499 1958.9854 112.7404 -206411.6645 17759.9664 0.0000 0.0000 34207.7550 -149517.9712 298.7448 -183725.7262 -149416.1031 298.4570 -40.1744 -5.1632 556900.2166 21.8192 21.6654 PRESSURE: 1375200 249.303 -64.1248 -80.8823 -64.1247 119.291 -39.4798 -80.8828 -39.4793 -7.9483 GPRESSURE: 1375200 252.345 -28.6781 -26.603 -34.863 145.412 -3.03329 -110.55 -42.9153 52.1334 PRESSAVG: 1375200 57.4702 50.6521 -32.0718 50.6522 -7.12574 9.31632 -32.0718 9.31642 -19.6745 GPRESSAVG: 1375200 57.5736 47.1291 -32.0362 52.4157 -7.96575 10.8039 -29.0334 8.75138 -19.7074 TIMING: 1375200 CPU: 4089.03, 0.00295801/step Wall: 4089.03, 0.00295801/step, 2.97839 hours remaining, 206.507812 MB of memory in use. ENERGY: 1375200 747.3555 2108.5680 1968.0805 112.9068 -206545.5307 18044.5734 0.0000 0.0000 34047.9081 -149516.1386 297.3488 -183564.0467 -149417.2070 298.1006 120.2153 149.9636 556732.5986 10.2233 9.9668 PRESSURE: 1375400 -10.6513 6.78357 -292.956 6.78387 -223.357 53.2876 -292.956 53.2905 -235.037 GPRESSURE: 1375400 7.92727 -2.05424 -218.479 -36.441 -180.834 9.22174 -249.992 121.27 -200.038 PRESSAVG: 1375400 -13.548 31.2809 13.4896 31.2809 -38.3732 37.3208 13.4896 37.3209 45.5368 GPRESSAVG: 1375400 -13.4806 35.5993 15.5033 27.9528 -37.757 38.0729 12.5779 36.3424 44.6437 TIMING: 1375400 CPU: 4089.63, 0.00300864/step Wall: 4089.63, 0.00300864/step, 3.0292 hours remaining, 206.507812 MB of memory in use. ENERGY: 1375400 759.0096 2097.9560 1957.6689 117.1769 -206324.2220 17689.6859 0.0000 0.0000 34242.2746 -149460.4501 299.0463 -183702.7247 -149361.9643 298.4391 -156.3484 -124.3148 558214.6882 -2.1282 -2.1979 PRESSURE: 1375600 -154.053 53.09 23.9738 53.0916 -313.027 -42.9944 23.974 -42.9942 -43.7339 GPRESSURE: 1375600 -119.713 52.3773 81.0735 34.4862 -214.093 -16.4667 43.5175 -95.3279 -80.4671 PRESSAVG: 1375600 45.2551 13.0365 14.8137 13.0366 4.05206 -2.54544 14.8137 -2.54534 -28.5999 GPRESSAVG: 1375600 45.4309 10.0704 13.7301 14.6614 3.37076 -4.78984 13.9083 -0.494329 -28.1527 TIMING: 1375600 CPU: 4090.23, 0.00297844/step Wall: 4090.23, 0.00297844/step, 2.99863 hours remaining, 206.507812 MB of memory in use. ENERGY: 1375600 738.6639 2079.7078 1952.3856 105.3259 -205940.1953 17329.7864 0.0000 0.0000 34196.2912 -149538.0343 298.6447 -183734.3255 -149441.4978 297.6986 -170.2712 -138.0910 557781.5418 6.9024 6.8830 PRESSURE: 1375800 66.9809 24.6634 -157.569 24.6632 -122.337 -29.531 -157.569 -29.5312 -78.9787 GPRESSURE: 1375800 79.8527 22.0903 -118.674 29.0553 -76.5664 10.8983 -198.572 17.9894 -47.5921 PRESSAVG: 1375800 21.9257 -3.36971 18.5674 -3.36967 -46.0238 -28.1113 18.5675 -28.1114 21.5546 GPRESSAVG: 1375800 22.2236 -2.89371 20.3601 -4.69566 -45.7834 -28.6105 17.5653 -30.6725 21.2988 TIMING: 1375800 CPU: 4090.82, 0.00297032/step Wall: 4090.82, 0.00297032/step, 2.99029 hours remaining, 206.507812 MB of memory in use. ENERGY: 1375800 720.0799 2090.1682 1945.0682 104.9197 -206224.3638 17726.0672 0.0000 0.0000 33996.3825 -149641.6781 296.8989 -183638.0606 -149542.2458 297.5080 -44.7782 -14.7686 557622.3593 -0.8478 -0.7537 PRESSURE: 1376000 -62.8369 -30.6503 -45.333 -30.6518 -63.2174 -23.2976 -45.3328 -23.2965 210.481 GPRESSURE: 1376000 -4.75344 3.70638 -66.0991 -69.476 -16.1475 -119.781 -35.01 -15.667 206.55 PRESSAVG: 1376000 37.4312 -38.9604 16.3167 -38.9603 -67.2573 3.64228 16.3166 3.64222 30.9726 GPRESSAVG: 1376000 37.079 -36.3644 14.8868 -37.5085 -66.5254 4.76268 17.0119 4.96544 30.5792 TIMING: 1376000 CPU: 4091.41, 0.0029779/step Wall: 4091.41, 0.0029779/step, 2.99775 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: 1376000 731.4491 2089.5852 1963.3330 108.5414 -206648.7139 17916.4849 0.0000 0.0000 34088.0612 -149751.2591 297.6995 -183839.3204 -149653.4329 297.8733 28.1423 61.8831 557845.0666 0.3821 0.3776 PRESSURE: 1376200 -55.0323 35.317 -84.5597 35.3166 146.394 6.26901 -84.5595 6.2691 143.372 GPRESSURE: 1376200 -27.1936 -35.3933 -30.0079 28.2644 136.047 11.2631 -135.789 40.5805 220.458 PRESSAVG: 1376200 -29.8376 -39.8704 -13.5909 -39.8703 -1.4194 -48.1694 -13.5908 -48.1694 -6.11916 GPRESSAVG: 1376200 -29.899 -41.7925 -12.3428 -40.3926 -1.87977 -48.3604 -12.8583 -48.3464 -5.61792 TIMING: 1376200 CPU: 4092.01, 0.00296402/step Wall: 4092.01, 0.00296402/step, 2.98362 hours remaining, 206.507812 MB of memory in use. ENERGY: 1376200 774.8077 2126.8690 1969.4137 115.8591 -206897.8380 18093.9921 0.0000 0.0000 34160.1700 -149656.7263 298.3293 -183816.8963 -149563.6621 297.4772 78.2444 109.7705 557371.7224 -12.4587 -12.4656 LDB: ============= START OF LOAD BALANCING ============== 4095.43 LDB: ============== END OF LOAD BALANCING =============== 4095.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4095.44 LDB: ============= START OF LOAD BALANCING ============== 4095.73 LDB: Largest compute 4847 load 0.029803 is 25.3% of average load 0.117912 LDB: Average compute 0.001713 is 1.5% of average load 0.117912 LDB: TIME 4095.74 LOAD: AVG 0.117912 MAX 0.197869 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.535 MB LDB: TIME 4095.74 LOAD: AVG 0.117912 MAX 0.197869 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: TIME 4095.74 LOAD: AVG 0.117912 MAX 0.197869 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: ============== END OF LOAD BALANCING =============== 4095.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4095.74 PRESSURE: 1376400 -166.502 3.23653 -38.9872 3.23593 -324.643 10.3639 -38.9875 10.3644 67.0793 GPRESSURE: 1376400 -168.44 10.225 -172.196 56.546 -293.035 -12.2597 -13.0335 -25.9919 130.52 PRESSAVG: 1376400 -9.61626 19.3349 -43.3037 19.3349 -37.1853 -19.0254 -43.3039 -19.0255 76.2841 GPRESSAVG: 1376400 -10.7826 21.3588 -46.1106 18.0903 -36.5221 -18.624 -41.6997 -18.5165 76.4334 TIMING: 1376400 CPU: 4092.61, 0.0030245/step Wall: 4092.61, 0.0030245/step, 3.04432 hours remaining, 206.945312 MB of memory in use. ENERGY: 1376400 741.8366 2145.9233 1942.8006 122.4238 -206714.5281 17877.6882 0.0000 0.0000 34270.6401 -149613.2156 299.2940 -183883.8556 -149520.8302 298.2881 -141.3551 -110.3184 557879.7032 9.8275 9.7096 PRESSURE: 1376600 -101.155 -97.0031 105.394 -97.0021 -378.382 0.924083 105.394 0.923517 -44.4092 GPRESSURE: 1376600 -103 -139.645 77.8257 -73.3295 -282.276 54.5296 120.897 -81.0758 -35.2632 PRESSAVG: 1376600 -20.6214 -8.16272 40.6409 -8.16266 -84.4897 5.27727 40.6409 5.27735 88.4181 GPRESSAVG: 1376600 -17.9338 -8.10167 41.9554 -8.51134 -85.6808 6.8411 37.9741 4.49693 87.0288 TIMING: 1376600 CPU: 4093.21, 0.0030075/step Wall: 4093.21, 0.0030075/step, 3.02705 hours remaining, 206.945312 MB of memory in use. ENERGY: 1376600 730.4319 2104.6155 1935.0705 116.3891 -206150.7512 17558.8432 0.0000 0.0000 34216.5934 -149488.8075 298.8220 -183705.4009 -149389.1503 298.2914 -174.6488 -140.1798 557036.6328 -5.5643 -5.5286 PRESSURE: 1376800 -180.971 -84.5253 -69.8269 -84.5254 -33.5607 -179.382 -69.8282 -179.384 18.4189 GPRESSURE: 1376800 -102.164 -102.905 -54.5464 -36.1655 -14.2203 -269.354 -118.013 -155.654 14.105 PRESSAVG: 1376800 -40.1837 -11.0539 -5.46313 -11.0539 32.0309 -44.6836 -5.46321 -44.6836 33.938 GPRESSAVG: 1376800 -41.3904 -12.7825 -4.45022 -9.5238 31.8374 -47.1851 -3.60455 -43.9748 35.5126 TIMING: 1376800 CPU: 4093.81, 0.00298828/step Wall: 4093.81, 0.00298828/step, 3.00754 hours remaining, 206.945312 MB of memory in use. ENERGY: 1376800 752.2898 2096.0496 1971.6071 127.3650 -206648.0820 17840.1277 0.0000 0.0000 34252.1076 -149608.5351 299.1322 -183860.6427 -149511.4715 298.6832 -65.3709 -34.0931 556797.1214 8.5951 8.6532 PRESSURE: 1377000 -344.519 167.491 -13.5797 167.492 96.7041 3.69436 -13.5799 3.69427 -110.675 GPRESSURE: 1377000 -302.651 187.845 55.8865 193.822 123.308 41.5302 -35.2509 -5.61855 -89.5885 PRESSAVG: 1377000 -22.8244 27.1184 62.9362 27.1184 28.9274 21.9723 62.9362 21.9724 8.44845 GPRESSAVG: 1377000 -23.8614 27.6698 63.3784 25.5129 29.6841 21.2263 62.9639 22.8043 8.43766 TIMING: 1377000 CPU: 4094.41, 0.0029756/step Wall: 4094.41, 0.0029756/step, 2.99461 hours remaining, 206.945312 MB of memory in use. ENERGY: 1377000 750.7995 2116.5289 1964.2835 115.6787 -206305.7171 17696.6611 0.0000 0.0000 34091.5887 -149570.1766 297.7303 -183661.7653 -149482.6767 298.0584 -119.4966 -89.6440 558313.0286 4.8505 4.7535 PRESSURE: 1377200 128.306 0.0888632 38.4849 0.0902797 -118.268 121.167 38.4854 121.167 349.427 GPRESSURE: 1377200 171.493 -153.325 20.5321 44.2548 -25.4566 131.672 103.805 42.7617 312.186 PRESSAVG: 1377200 6.34499 22.9807 26.3416 22.9808 -25.2596 54.1775 26.3415 54.1774 30.0207 GPRESSAVG: 1377200 7.58873 21.5201 25.2254 25.22 -25.5674 55.2811 26.7817 53.8635 28.9691 TIMING: 1377200 CPU: 4095, 0.00295725/step Wall: 4095, 0.00295725/step, 2.97598 hours remaining, 206.945312 MB of memory in use. ENERGY: 1377200 769.0063 2078.1759 1954.3938 103.6588 -206728.9019 18123.5834 0.0000 0.0000 34168.8286 -149531.2551 298.4049 -183700.0837 -149428.1485 298.3803 119.8217 152.7408 557455.8125 3.7020 3.6635 PRESSURE: 1377400 -144.12 130.586 64.353 130.587 -106.397 20.354 64.3522 20.3545 -54.4008 GPRESSURE: 1377400 -110.205 101.989 80.5614 170.909 -79.4558 115.551 71.8341 2.69696 -15.9111 PRESSAVG: 1377400 2.3195 5.09501 67.8987 5.09496 -61.4013 55.7007 67.8987 55.7007 44.8849 GPRESSAVG: 1377400 2.79053 8.41276 66.6992 2.66556 -60.8943 54.6886 68.0815 56.6352 43.9538 TIMING: 1377400 CPU: 4095.59, 0.00297482/step Wall: 4095.59, 0.00297482/step, 2.9935 hours remaining, 206.945312 MB of memory in use. ENERGY: 1377400 799.1259 2091.3974 1924.7000 112.2813 -206314.0488 17776.4514 0.0000 0.0000 34096.6365 -149513.4563 297.7744 -183610.0928 -149413.3437 298.3584 -101.6390 -68.5241 557389.9142 -4.7323 -4.7166 PRESSURE: 1377600 243.257 -22.7628 95.9767 -22.7612 182.592 44.2988 95.9773 44.2975 80.3172 GPRESSURE: 1377600 296.268 -17.564 78.1906 -13.0134 189.612 61.0217 178.258 5.95895 110.36 PRESSAVG: 1377600 21.5228 62.1558 50.0693 62.1558 -45.8707 -1.16811 50.0693 -1.16803 15.8822 GPRESSAVG: 1377600 20.4626 60.5701 50.8403 64.425 -46.5472 -1.37822 50.0019 -3.01805 17.383 TIMING: 1377600 CPU: 4096.19, 0.00296222/step Wall: 4096.19, 0.00296222/step, 2.98065 hours remaining, 206.945312 MB of memory in use. ENERGY: 1377600 724.9431 2080.3057 1941.4536 128.5530 -206427.0049 17945.7411 0.0000 0.0000 33975.0741 -149630.9343 296.7128 -183606.0084 -149536.5591 298.6655 168.7219 198.7465 555912.6912 -2.8219 -2.9005 PRESSURE: 1377800 82.264 -28.4532 27.4517 -28.4532 -167.983 93.7825 27.4527 93.7839 -21.6858 GPRESSURE: 1377800 108.576 -68.4523 -29.8005 80.3775 -119.178 92.8966 63.4153 99.3134 -3.12732 PRESSAVG: 1377800 -36.9799 7.56698 29.3639 7.56706 99.3017 -3.16794 29.364 -3.16787 -74.8498 GPRESSAVG: 1377800 -37.302 8.11974 29.247 5.9264 99.74 -1.8983 29.1324 -3.76412 -75.3851 TIMING: 1377800 CPU: 4096.78, 0.00296543/step Wall: 4096.78, 0.00296543/step, 2.98372 hours remaining, 206.945312 MB of memory in use. ENERGY: 1377800 749.5553 2164.4766 1931.6408 121.3586 -206197.3323 17804.1381 0.0000 0.0000 33866.0621 -149560.1008 295.7607 -183426.1629 -149471.4718 298.3149 -35.8016 -4.5763 556928.6166 -4.1760 -4.3157 PRESSURE: 1378000 -132.49 -148.901 -42.6578 -148.899 -154.105 -70.7126 -42.6578 -70.7139 27.4213 GPRESSURE: 1378000 -82.761 -125.229 85.3795 -179.577 -149.113 -12.8145 -83.9261 -42.5953 63.1436 PRESSAVG: 1378000 -10.8696 -23.5361 3.10874 -23.5362 2.55561 -9.38857 3.10875 -9.38857 18.3984 GPRESSAVG: 1378000 -11.9016 -24.194 5.77778 -22.3291 2.42621 -10.5691 1.78968 -8.10751 18.9341 TIMING: 1378000 CPU: 4097.37, 0.00296691/step Wall: 4097.37, 0.00296691/step, 2.98504 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: 1378000 744.6846 2105.3223 1931.5929 110.0276 -206039.0262 17524.8525 0.0000 0.0000 34145.5739 -149476.9724 298.2018 -183622.5463 -149380.2845 298.4083 -86.3910 -56.2435 555698.3878 3.3615 3.1529 PRESSURE: 1378200 167.282 -33.8058 57.3509 -33.8057 -37.2891 -21.2833 57.3519 -21.2835 -163.649 GPRESSURE: 1378200 186.665 -7.08299 -0.378517 -120.63 20.8387 22.4076 49.3124 38.1397 -133.237 PRESSAVG: 1378200 23.4522 19.4451 27.31 19.445 14.5043 -3.52745 27.31 -3.52748 -40.6079 GPRESSAVG: 1378200 24.0203 18.6262 25.8705 20.4158 14.7874 -2.97331 28.3968 -2.64538 -41.2319 TIMING: 1378200 CPU: 4097.97, 0.00296997/step Wall: 4097.97, 0.00296997/step, 2.98796 hours remaining, 206.945312 MB of memory in use. ENERGY: 1378200 701.5150 2084.0934 1935.0917 112.4764 -205843.6143 17676.1445 0.0000 0.0000 34014.7509 -149319.5425 297.0593 -183334.2934 -149211.7075 298.4322 -11.2187 24.7556 556549.1151 -0.8838 -0.8081 PRESSURE: 1378400 58.8319 49.0749 -14.6393 49.0754 -12.3059 145.871 -14.6393 145.873 93.2351 GPRESSURE: 1378400 130.595 64.7973 85.2934 110.956 59.7255 159.838 -86.3085 88.432 35.1426 PRESSAVG: 1378400 -27.7536 27.4393 -25.6918 27.4392 4.03109 57.5141 -25.6918 57.5141 28.2325 GPRESSAVG: 1378400 -26.5421 29.62 -23.7527 25.9897 3.83186 56.2583 -25.9889 57.2123 26.909 TIMING: 1378400 CPU: 4098.56, 0.0029729/step Wall: 4098.56, 0.0029729/step, 2.99074 hours remaining, 206.945312 MB of memory in use. ENERGY: 1378400 765.1201 2066.0148 1958.2393 111.0869 -206204.2779 17927.5994 0.0000 0.0000 34090.3164 -149285.9011 297.7192 -183376.2174 -149193.6957 298.8476 46.5870 75.1542 557224.4550 1.5033 1.3996 PRESSURE: 1378600 -152.954 128.199 141.077 128.201 -90.1644 130.977 141.078 130.975 -198.157 GPRESSURE: 1378600 -106.53 38.6146 143.856 94.5238 -89.2228 50.275 33.3526 223.775 -155.653 PRESSAVG: 1378600 13.0279 13.6263 8.93162 13.6263 -8.59034 5.74223 8.9316 5.74233 -25.3818 GPRESSAVG: 1378600 13.102 12.4651 7.67906 13.2625 -8.52219 5.66516 10.1697 6.34344 -24.6726 TIMING: 1378600 CPU: 4099.16, 0.00298411/step Wall: 4099.16, 0.00298411/step, 3.00185 hours remaining, 206.945312 MB of memory in use. ENERGY: 1378600 757.1769 2121.1447 1938.4154 106.6363 -205980.6111 17593.6266 0.0000 0.0000 34253.0913 -149210.5198 299.1408 -183463.6111 -149116.0775 298.7886 -147.0920 -117.1352 557428.9058 -6.9814 -6.6976 PRESSURE: 1378800 -276.546 40.0518 117.024 40.0519 -180.454 275.506 117.024 275.507 71.7116 GPRESSURE: 1378800 -203.298 85.0556 104.386 56.8891 -192.056 218.631 80.4336 213.944 119.24 PRESSAVG: 1378800 9.08041 70.0409 28.6385 70.0408 -7.19134 9.35145 28.6384 9.35139 46.3741 GPRESSAVG: 1378800 8.99518 69.888 28.5677 70.2794 -7.17775 8.97475 28.5696 7.26727 46.6656 TIMING: 1378800 CPU: 4099.75, 0.0029816/step Wall: 4099.75, 0.0029816/step, 2.99916 hours remaining, 206.945312 MB of memory in use. ENERGY: 1378800 744.4533 2081.0146 1952.9200 108.8116 -206151.3662 17767.3165 0.0000 0.0000 34222.6111 -149274.2391 298.8746 -183496.8502 -149182.8696 299.4791 -128.4295 -92.0381 559665.3998 16.0877 16.1610 PRESSURE: 1379000 -221.488 48.3905 43.3755 48.3912 -132.119 14.6648 43.3765 14.6657 -282.483 GPRESSURE: 1379000 -200.556 -13.608 -8.11977 -30.6608 -102.486 59.3458 24.805 -39.7919 -228.946 PRESSAVG: 1379000 25.8707 5.74544 -9.30415 5.74546 -38.7974 -21.3808 -9.30418 -21.3809 -22.1818 GPRESSAVG: 1379000 25.7097 4.28323 -8.41883 5.17721 -39.0376 -18.7448 -9.61836 -20.7931 -21.2563 TIMING: 1379000 CPU: 4100.34, 0.00294799/step Wall: 4100.34, 0.00294798/step, 2.96518 hours remaining, 206.945312 MB of memory in use. ENERGY: 1379000 782.4183 2111.3637 1976.7870 107.8266 -206255.3372 17691.0465 0.0000 0.0000 34237.6173 -149348.2779 299.0056 -183585.8952 -149253.9558 299.0944 -212.0301 -177.3292 558992.4395 -11.7028 -11.5281 PRESSURE: 1379200 -152.563 26.5421 -13.7611 26.542 -41.557 58.0225 -13.7604 58.0239 263.92 GPRESSURE: 1379200 -124.939 17.4206 8.96186 98.1106 -51.7851 69.1984 -48.4933 83.0281 338.993 PRESSAVG: 1379200 -37.8341 18.3347 22.6233 18.3347 52.2678 -54.8784 22.6233 -54.8785 53.7637 GPRESSAVG: 1379200 -38.1312 21.024 21.4643 16.6209 53.4599 -58.3592 22.005 -54.5384 52.3964 TIMING: 1379200 CPU: 4100.93, 0.00292112/step Wall: 4100.93, 0.00292112/step, 2.938 hours remaining, 206.945312 MB of memory in use. ENERGY: 1379200 742.5689 2095.6356 1943.1781 118.1164 -206440.4691 17954.6366 0.0000 0.0000 34357.7268 -149228.6066 300.0546 -183586.3334 -149135.8925 298.9258 23.2666 54.0897 558451.3158 22.7325 22.5750 PRESSURE: 1379400 -19.076 -4.05282 49.1806 -4.05283 92.9367 -40.1347 49.1802 -40.1357 -126.487 GPRESSURE: 1379400 55.82 38.6428 -25.8577 -36.6072 106.89 1.17173 118.769 -125.928 -110.102 PRESSAVG: 1379400 -61.6863 57.4053 -10.9399 57.4053 107.596 -26.9286 -10.9398 -26.9286 -57.2737 GPRESSAVG: 1379400 -60.7828 58.4692 -11.2432 57.7917 106.593 -24.196 -10.6133 -26.0926 -56.9234 TIMING: 1379400 CPU: 4101.52, 0.00293957/step Wall: 4101.52, 0.00293957/step, 2.95639 hours remaining, 206.945312 MB of memory in use. ENERGY: 1379400 743.5707 2076.2899 1923.2962 111.7060 -206249.4565 17941.4724 0.0000 0.0000 34246.7421 -149206.3793 299.0853 -183453.1214 -149112.6941 298.6205 -17.5421 17.5361 557607.6361 -3.7880 -3.7044 PRESSURE: 1379600 169.785 -5.68105 213.428 -5.68059 8.60009 18.7919 213.427 18.7906 113.477 GPRESSURE: 1379600 219.442 13.1343 202.035 -21.4744 38.6453 62.8929 131.886 0.905347 135.243 PRESSAVG: 1379600 33.7265 62.9381 51.5389 62.9381 -5.3573 7.54157 51.539 7.54158 -37.2007 GPRESSAVG: 1379600 33.1684 58.9706 52.8229 66.7888 -4.6941 8.49472 52.0452 6.16469 -37.2891 TIMING: 1379600 CPU: 4102.11, 0.00294912/step Wall: 4102.11, 0.00294912/step, 2.96583 hours remaining, 206.945312 MB of memory in use. ENERGY: 1379600 743.4676 2050.7463 1944.0251 110.0120 -206096.9037 17923.3660 0.0000 0.0000 34111.3027 -149213.9840 297.9025 -183325.2867 -149117.7579 299.5768 97.2875 131.1100 557681.7901 -2.9438 -2.9383 PRESSURE: 1379800 -18.2547 -103.155 -20.8404 -103.157 90.2781 10.9367 -20.8395 10.9365 98.5924 GPRESSURE: 1379800 21.5638 -125.793 -22.6447 -114.962 132.379 71.6814 34.775 -88.8838 122.626 PRESSAVG: 1379800 37.0019 12.1616 12.4875 12.1615 -35.8446 49.466 12.4874 49.466 24.4288 GPRESSAVG: 1379800 36.2991 14.1232 11.115 9.59295 -35.3624 47.5378 14.5136 49.8004 24.1636 TIMING: 1379800 CPU: 4102.7, 0.00295647/step Wall: 4102.7, 0.00295647/step, 2.97306 hours remaining, 206.945312 MB of memory in use. ENERGY: 1379800 756.9629 2079.6790 1946.0514 116.4552 -206307.3098 17917.4816 0.0000 0.0000 34292.6728 -149198.0070 299.4864 -183490.6798 -149106.4232 299.7009 56.8719 92.1896 556940.4530 8.5287 8.3668 PRESSURE: 1380000 -17.7885 -41.3669 2.40524 -41.3662 85.4387 -72.9852 2.40748 -72.9852 -93.7662 GPRESSURE: 1380000 55.2703 22.0187 83.6532 -95.7415 80.2938 -46.1797 -96.934 -119.838 -65.9916 PRESSAVG: 1380000 -76.1145 -38.7682 12.1615 -38.7682 45.2347 -28.7752 12.1614 -28.7753 17.2592 GPRESSAVG: 1380000 -75.823 -37.5672 12.6075 -38.3904 45.7546 -28.5182 10.7176 -28.8311 16.1966 TIMING: 1380000 CPU: 4103.29, 0.00295191/step Wall: 4103.29, 0.00295191/step, 2.96831 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: 1380000 739.6944 2050.7523 1947.7811 111.1787 -206222.1780 17816.2779 0.0000 0.0000 34187.1783 -149369.3154 298.5651 -183556.4936 -149274.8859 299.0233 -8.7053 23.1909 556355.4575 -4.5402 -4.6239 PRESSURE: 1380200 -335.278 -155.166 -90.4298 -155.166 -183.245 179.355 -90.4315 179.355 -87.7827 GPRESSURE: 1380200 -313.456 -208.628 -43.047 -193.555 -196.027 233.641 -79.3718 135.144 -5.62134 PRESSAVG: 1380200 18.4472 -66.4541 -41.3889 -66.4542 6.89785 17.5363 -41.389 17.5363 18.749 GPRESSAVG: 1380200 19.0655 -66.3631 -42.9094 -67.3077 5.82138 17.6445 -41.8084 17.6582 19.4003 TIMING: 1380200 CPU: 4103.88, 0.00297933/step Wall: 4103.88, 0.00297933/step, 2.99572 hours remaining, 206.945312 MB of memory in use. ENERGY: 1380200 750.3352 2057.4878 1947.0076 121.8011 -206209.1632 17718.3489 0.0000 0.0000 34173.8830 -149440.2996 298.4490 -183614.1826 -149347.0085 299.2798 -202.1017 -171.7015 559394.8984 14.6980 14.7624 LDB: ============= START OF LOAD BALANCING ============== 4107.31 LDB: ============== END OF LOAD BALANCING =============== 4107.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4107.31 LDB: ============= START OF LOAD BALANCING ============== 4107.61 LDB: Largest compute 4847 load 0.029495 is 25.0% of average load 0.118029 LDB: Average compute 0.001708 is 1.4% of average load 0.118029 LDB: TIME 4107.61 LOAD: AVG 0.118029 MAX 0.19898 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.363 MB LDB: TIME 4107.61 LOAD: AVG 0.118029 MAX 0.19898 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.367 MB LDB: TIME 4107.61 LOAD: AVG 0.118029 MAX 0.19898 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.367 MB LDB: ============== END OF LOAD BALANCING =============== 4107.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4107.62 PRESSURE: 1380400 -20.6888 -106.217 -108.853 -106.217 60.7792 -41.134 -108.854 -41.1354 118.397 GPRESSURE: 1380400 -10.4342 -136.407 -94.644 -134.166 26.7603 19.1602 -89.7429 -75.7812 229.006 PRESSAVG: 1380400 7.36173 -15.8546 23.1481 -15.8546 -35.8945 -47.3229 23.1481 -47.3229 -5.81174 GPRESSAVG: 1380400 7.10909 -17.4128 24.6351 -16.2227 -36.4253 -49.6154 24.8785 -46.7031 -5.46673 TIMING: 1380400 CPU: 4104.49, 0.00302495/step Wall: 4104.49, 0.00302495/step, 3.04142 hours remaining, 205.324219 MB of memory in use. ENERGY: 1380400 733.1601 2073.3459 1950.6606 105.9782 -206793.7013 18033.2165 0.0000 0.0000 34407.9692 -149489.3707 300.4934 -183897.3399 -149384.5772 298.5734 52.8292 81.7773 557420.7151 -11.4482 -11.5943 PRESSURE: 1380600 13.8222 -11.886 41.9272 -11.8861 -71.909 31.2072 41.9282 31.2058 -61.3673 GPRESSURE: 1380600 44.5177 -7.45931 39.7244 -3.5224 -42.9313 -62.5922 22.9013 48.5094 -35.2764 PRESSAVG: 1380600 21.6095 -18.4417 43.2469 -18.4416 -25.7973 -62.7341 43.2468 -62.7341 -6.28664 GPRESSAVG: 1380600 21.5304 -15.939 41.8393 -19.2201 -25.0826 -63.9628 42.7797 -62.0229 -6.82418 TIMING: 1380600 CPU: 4105.08, 0.00294256/step Wall: 4105.08, 0.00294256/step, 2.95841 hours remaining, 205.527344 MB of memory in use. ENERGY: 1380600 765.8674 2055.8345 1930.2945 102.1982 -206236.6074 17877.5560 0.0000 0.0000 34211.6554 -149293.2014 298.7789 -183504.8568 -149201.9456 299.0483 -39.8180 -11.2300 558187.7170 -3.4915 -3.4588 PRESSURE: 1380800 -15.5004 45.3999 -57.5859 45.3997 -215.036 -71.7379 -57.5849 -71.7377 -119.691 GPRESSURE: 1380800 14.9612 81.3052 11.8227 63.8974 -179.909 4.29683 -39.6223 -13.1314 -78.5875 PRESSAVG: 1380800 -6.68626 -28.8167 -24.8416 -28.8167 -7.46879 -28.4768 -24.8416 -28.4769 23.4736 GPRESSAVG: 1380800 -5.55483 -29.9389 -22.3242 -27.9807 -7.29185 -24.7967 -27.9427 -31.0979 22.5323 TIMING: 1380800 CPU: 4105.67, 0.00295489/step Wall: 4105.67, 0.00295489/step, 2.97065 hours remaining, 205.527344 MB of memory in use. ENERGY: 1380800 802.3575 2067.8032 1947.5826 104.2313 -206164.1080 17737.1948 0.0000 0.0000 34327.9717 -149176.9668 299.7947 -183504.9386 -149075.5792 299.1614 -116.7427 -81.1784 556295.7379 3.1062 3.2285 PRESSURE: 1381000 -171.312 -20.6445 -90.4423 -20.6442 -348.867 70.0249 -90.4417 70.0246 -408.583 GPRESSURE: 1381000 -194.483 -44.7531 -89.0505 -8.45407 -281.285 58.532 -159.577 95.9196 -360.56 PRESSAVG: 1381000 4.90719 -35.7218 -17.882 -35.7218 -2.097 -62.1651 -17.882 -62.1652 -28.0518 GPRESSAVG: 1381000 3.4018 -36.1802 -17.8291 -34.5581 -1.59742 -62.3667 -15.9359 -62.1679 -26.5569 TIMING: 1381000 CPU: 4106.26, 0.00294212/step Wall: 4106.26, 0.00294213/step, 2.95765 hours remaining, 205.527344 MB of memory in use. ENERGY: 1381000 807.5799 2153.6929 1925.1430 100.8206 -205973.2123 17485.0524 0.0000 0.0000 34315.4160 -149185.5075 299.6851 -183500.9235 -149094.2610 299.6773 -309.5875 -278.7761 558396.4849 -8.4139 -8.2509 PRESSURE: 1381200 -660.462 28.356 -101.123 28.3544 34.3717 46.3711 -101.124 46.3702 -138.89 GPRESSURE: 1381200 -577.921 -15.2486 -26.3952 132.497 -0.698157 -4.18755 -121.254 77.9237 -89.9808 PRESSAVG: 1381200 -20.0181 -11.6857 0.10499 -11.6858 55.0726 -13.1525 0.105111 -13.1523 -19.2408 GPRESSAVG: 1381200 -19.5525 -13.1207 1.19445 -10.3687 54.7324 -14.6412 -0.730053 -13.2177 -19.0317 TIMING: 1381200 CPU: 4106.85, 0.00297178/step Wall: 4106.85, 0.00297178/step, 2.9873 hours remaining, 205.527344 MB of memory in use. ENERGY: 1381200 743.0692 2121.0018 1923.5696 107.3987 -205807.1580 17412.0575 0.0000 0.0000 34461.4378 -149038.6234 300.9603 -183500.0612 -148939.6895 299.6092 -254.9937 -222.8668 558894.3330 5.2712 5.3828 PRESSURE: 1381400 -83.4424 -128.117 98.702 -128.118 387.054 -25.5094 98.7005 -25.5098 148.253 GPRESSURE: 1381400 -19.8321 -193.021 110.511 -37.5845 404.083 -74.2771 91.8097 -11.075 171.306 PRESSAVG: 1381400 65.6165 -5.90196 -8.81416 -5.90203 40.4066 -33.9316 -8.81411 -33.9315 -78.3108 GPRESSAVG: 1381400 67.0072 -4.95569 -11.2321 -8.60991 39.4262 -32.1761 -8.06109 -32.9498 -78.6486 TIMING: 1381400 CPU: 4107.44, 0.00296373/step Wall: 4107.44, 0.00296373/step, 2.97904 hours remaining, 205.527344 MB of memory in use. ENERGY: 1381400 753.1408 2119.7106 1956.4157 102.2679 -206548.6640 18049.3948 0.0000 0.0000 34573.8424 -148993.8917 301.9420 -183567.7341 -148892.2395 299.8341 150.6212 185.1855 558268.5899 9.2374 9.2616 PRESSURE: 1381600 138.468 71.0258 -20.4763 71.0247 27.3936 -140.387 -20.4758 -140.386 23.1195 GPRESSURE: 1381600 159.872 68.4656 -80.4419 6.12421 43.6452 -92.7571 18.3316 -115.899 78.9354 PRESSAVG: 1381600 -41.8745 42.029 14.9054 42.029 86.036 -53.0525 14.9053 -53.0524 -21.658 GPRESSAVG: 1381600 -43.34 42.8109 16.2944 41.0265 87.7513 -52.5946 14.2765 -52.9327 -22.0473 TIMING: 1381600 CPU: 4108.04, 0.00296225/step Wall: 4108.04, 0.00296225/step, 2.97739 hours remaining, 205.527344 MB of memory in use. ENERGY: 1381600 739.9989 2067.5582 1943.9855 116.7072 -206237.1351 17956.3316 0.0000 0.0000 34442.4395 -148970.1143 300.7944 -183412.5538 -148877.6699 300.0230 62.9937 94.1509 558610.9224 7.5012 7.4547 PRESSURE: 1381800 84.0113 -57.8257 188.456 -57.8267 -56.3172 108.379 188.456 108.38 -224.531 GPRESSURE: 1381800 136.922 -94.5703 257.077 23.1687 -34.3513 103.794 188.093 153.675 -195.837 PRESSAVG: 1381800 -39.5163 -7.29504 -11.4518 -7.29502 82.0632 -71.7803 -11.4519 -71.7802 -39.8176 GPRESSAVG: 1381800 -40.1759 -9.04629 -12.3533 -5.89866 82.5731 -74.4287 -11.0017 -70.1475 -39.811 TIMING: 1381800 CPU: 4108.63, 0.00295849/step Wall: 4108.63, 0.00295849/step, 2.97345 hours remaining, 205.527344 MB of memory in use. ENERGY: 1381800 751.9916 2112.4368 1950.2834 120.6331 -206150.6972 17884.5791 0.0000 0.0000 34213.9301 -149116.8431 298.7988 -183330.7732 -149022.5246 299.3404 -65.6121 -31.0886 558873.3488 0.9098 0.8621 PRESSURE: 1382000 -28.9762 -48.6557 54.5338 -48.6573 120.104 -103.407 54.5345 -103.407 298.627 GPRESSURE: 1382000 54.7472 -56.7104 95.7756 -24.2431 198.169 -153.73 68.3218 -55.9079 227.76 PRESSAVG: 1382000 -13.7293 -32.5415 30.1681 -32.5416 -0.16664 -61.9348 30.1681 -61.9348 -30.0151 GPRESSAVG: 1382000 -12.0276 -33.8831 31.9304 -31.9357 -2.10502 -60.2219 30.3345 -63.091 -29.7186 TIMING: 1382000 CPU: 4109.22, 0.00296206/step Wall: 4109.22, 0.00296206/step, 2.97687 hours remaining, 205.527344 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: 1382000 734.1730 2076.3316 1951.0905 115.9928 -206408.8498 18172.9417 0.0000 0.0000 34113.3523 -149244.9680 297.9204 -183358.3202 -149156.2369 298.9519 129.9183 160.2254 559162.1548 -14.6370 -14.6171 PRESSURE: 1382200 -96.0515 -113.484 -6.39795 -113.484 -59.726 17.4257 -6.39886 17.4265 253.186 GPRESSURE: 1382200 -46.6293 -52.9508 -15.5566 -122.303 -19.7766 -56.5898 -37.6307 23.9892 257.129 PRESSAVG: 1382200 54.6927 -7.7582 -15.2805 -7.75807 -53.0733 0.436253 -15.2806 0.43625 18.6568 GPRESSAVG: 1382200 54.4557 -6.34674 -18.1031 -6.47918 -52.779 0.3766 -14.6306 0.135579 18.5753 TIMING: 1382200 CPU: 4109.82, 0.00300619/step Wall: 4109.82, 0.00300619/step, 3.02106 hours remaining, 205.527344 MB of memory in use. ENERGY: 1382200 768.1100 2116.0356 1946.1758 102.7778 -206059.4128 17836.0799 0.0000 0.0000 34396.0984 -148894.1353 300.3897 -183290.2337 -148800.8689 298.8211 32.4695 63.5744 557275.0800 6.7587 6.7507 PRESSURE: 1382400 -158.83 16.9796 -45.4484 16.9791 131.779 101.096 -45.449 101.097 129.332 GPRESSURE: 1382400 -135.337 42.2942 -1.09011 36.2214 121.394 87.5249 -57.38 123.914 202.1 PRESSAVG: 1382400 -66.2888 -30.2162 3.03353 -30.2164 8.91455 -1.52616 3.03355 -1.52617 51.7836 GPRESSAVG: 1382400 -66.1147 -30.271 5.03208 -29.6057 8.03149 -1.37776 3.59158 -1.85001 52.6321 TIMING: 1382400 CPU: 4110.42, 0.00300872/step Wall: 4110.42, 0.00300872/step, 3.02343 hours remaining, 205.527344 MB of memory in use. ENERGY: 1382400 745.3426 2126.1084 1941.3129 116.0910 -205942.4882 17892.7598 0.0000 0.0000 34153.1824 -148967.6911 298.2682 -183120.8734 -148878.1353 299.4595 34.0940 62.7190 556945.6601 -1.8636 -1.8171 PRESSURE: 1382600 -41.7124 177.027 -193.588 177.026 -159.989 12.4919 -193.587 12.4922 -111.965 GPRESSURE: 1382600 -27.7189 179.052 -98.7078 227.608 -91.7274 -87.4266 -224.43 13.2892 -94.1005 PRESSAVG: 1382600 -19.8941 -1.71497 -4.01871 -1.71489 -86.9068 16.543 -4.01873 16.5429 41.0461 GPRESSAVG: 1382600 -20.8538 -1.50994 -5.30535 -1.50225 -85.6185 15.1259 -4.28412 17.9508 39.7255 TIMING: 1382600 CPU: 4111.03, 0.0030212/step Wall: 4111.03, 0.0030212/step, 3.0358 hours remaining, 205.527344 MB of memory in use. ENERGY: 1382600 724.1954 2139.2134 1943.1265 112.8523 -206187.0638 17672.8636 0.0000 0.0000 34508.7490 -149086.0636 301.3735 -183594.8125 -148990.7169 299.8309 -104.5554 -71.1823 556918.3554 -21.9183 -22.2489 PRESSURE: 1382800 -222.848 11.6681 6.02909 11.6683 40.6394 -57.5357 6.02814 -57.5378 13.3549 GPRESSURE: 1382800 -148.906 -139.521 56.8353 60.4371 88.9237 0.034776 -45.361 -79.9857 -16.8703 PRESSAVG: 1382800 -5.75092 69.6997 -7.32806 69.6997 -3.71522 -18.4895 -7.32805 -18.4895 -12.0134 GPRESSAVG: 1382800 -5.02459 68.7849 -6.83902 68.9158 -4.35863 -17.126 -6.34073 -18.8552 -11.9953 TIMING: 1382800 CPU: 4111.64, 0.00304305/step Wall: 4111.64, 0.00304305/step, 3.05758 hours remaining, 205.527344 MB of memory in use. ENERGY: 1382800 763.7007 2123.9474 1935.7612 111.4251 -206322.3127 17896.2769 0.0000 0.0000 34288.6713 -149202.5302 299.4515 -183491.2015 -149110.6034 300.0480 -56.2846 -25.6175 557541.3447 -7.1598 -7.1262 PRESSURE: 1383000 97.5493 -162.467 230.259 -162.467 -215.986 57.9926 230.259 57.9938 -370.346 GPRESSURE: 1383000 148.283 -155.086 195.408 -116.473 -247.673 9.50835 193.796 104.563 -302.538 PRESSAVG: 1383000 -107.375 32.2168 -1.24638 32.2167 41.3782 7.89319 -1.24636 7.89313 -7.89868 GPRESSAVG: 1383000 -108.003 31.8808 -0.572981 33.0383 41.7085 6.35824 -3.48258 6.86565 -7.66381 TIMING: 1383000 CPU: 4112.23, 0.0029796/step Wall: 4112.23, 0.0029796/step, 2.99367 hours remaining, 205.527344 MB of memory in use. ENERGY: 1383000 736.6751 2089.2763 1968.5263 120.7823 -205690.0989 17497.2479 0.0000 0.0000 34173.9765 -149103.6145 298.4498 -183277.5910 -149009.5161 299.4214 -162.9278 -133.9759 558029.5322 -24.6317 -24.6528 PRESSURE: 1383200 87.9933 8.82377 4.86456 8.82432 -38.9671 28.4132 4.86353 28.4136 37.6658 GPRESSURE: 1383200 143.162 -10.7671 -7.32535 -24.4447 -52.867 57.3906 -8.41326 20.8082 91.4943 PRESSAVG: 1383200 12.5572 -10.3693 26.7353 -10.3693 -40.8753 -42.9621 26.7354 -42.962 46.7953 GPRESSAVG: 1383200 13.302 -10.1499 27.3936 -10.7084 -40.704 -42.718 28.3611 -43.5436 45.8378 TIMING: 1383200 CPU: 4112.82, 0.00296473/step Wall: 4112.82, 0.00296474/step, 2.97857 hours remaining, 205.527344 MB of memory in use. ENERGY: 1383200 753.5887 2060.2611 1935.8675 95.4487 -205859.8132 17609.6336 0.0000 0.0000 34430.8194 -148974.1941 300.6929 -183405.0134 -148875.6390 299.4470 28.8973 60.5964 558391.6895 6.1591 6.1453 PRESSURE: 1383400 -212.579 -116.395 -201.61 -116.395 -183.707 -113.839 -201.61 -113.839 -186.777 GPRESSURE: 1383400 -171.219 -132.681 -183.777 -43.8864 -119.79 -109.728 -194.18 -145.596 -188.514 PRESSAVG: 1383400 18.622 -3.01478 -9.91703 -3.0148 -54.5724 -43.1606 -9.91699 -43.1605 -5.55895 GPRESSAVG: 1383400 17.7672 -1.04518 -9.36709 -5.53302 -53.6346 -42.216 -11.1618 -40.2818 -5.52952 TIMING: 1383400 CPU: 4113.42, 0.0029777/step Wall: 4113.42, 0.0029777/step, 2.99143 hours remaining, 205.527344 MB of memory in use. ENERGY: 1383400 752.6572 2059.2262 1956.1801 107.9102 -205514.5805 17429.0274 0.0000 0.0000 34241.0731 -148968.5063 299.0358 -183209.5794 -148874.7380 299.5879 -194.3545 -159.8407 559162.7949 -13.8365 -13.7990 PRESSURE: 1383600 -100.887 -45.8364 -70.9662 -45.8363 -66.2227 44.8303 -70.9649 44.8306 -157.999 GPRESSURE: 1383600 -40.7146 -123.732 -79.0023 5.79277 -35.6307 -88.9117 -71.9812 72.0784 -158.316 PRESSAVG: 1383600 47.6546 -32.1916 -26.738 -32.1917 -44.0391 -52.2547 -26.738 -52.2547 -13.4621 GPRESSAVG: 1383600 48.314 -33.6449 -28.1147 -30.3372 -45.4085 -52.0001 -26.1405 -54.0879 -13.421 TIMING: 1383600 CPU: 4114.02, 0.00298229/step Wall: 4114.02, 0.00298229/step, 2.99587 hours remaining, 205.527344 MB of memory in use. ENERGY: 1383600 763.0077 2097.1028 1946.1396 106.4218 -206063.0746 17794.0689 0.0000 0.0000 34325.3024 -149031.0313 299.7714 -183356.3337 -148935.7850 299.8017 -108.3696 -78.2206 558912.8924 -3.2822 -3.5052 PRESSURE: 1383800 -9.32262 -22.8729 68.148 -22.8737 -21.1601 135.807 68.1484 135.805 -27.089 GPRESSURE: 1383800 33.687 -111.09 94.2907 10.6085 26.4045 172.216 11.8873 63.5553 -27.5316 PRESSAVG: 1383800 -26.444 -29.697 5.10844 -29.697 -44.5242 -69.3769 5.10835 -69.3769 68.7465 GPRESSAVG: 1383800 -26.9628 -29.6446 5.18154 -30.141 -44.46 -70.8134 1.64387 -68.1555 69.099 TIMING: 1383800 CPU: 4114.6, 0.00294313/step Wall: 4114.6, 0.00294313/step, 2.95638 hours remaining, 205.527344 MB of memory in use. ENERGY: 1383800 753.4189 2113.2556 1940.9876 113.6192 -206057.8252 17895.0852 0.0000 0.0000 34282.0976 -148959.3611 299.3941 -183241.4586 -148862.8147 299.6351 -19.1905 10.8533 559264.7077 -0.7406 -0.7746 PRESSURE: 1384000 179.746 -198.145 77.2589 -198.146 -39.2784 27.4372 77.2581 27.4372 -219.83 GPRESSURE: 1384000 130.94 -175.632 62.0099 -108.704 35.5602 38.6079 80.5139 60.0394 -151.982 PRESSAVG: 1384000 -18.7488 -33.1231 -35.8352 -33.1232 -30.4508 -15.3286 -35.8352 -15.3287 10.7078 GPRESSAVG: 1384000 -18.8317 -33.7091 -37.4082 -31.2899 -30.4212 -16.7344 -30.6591 -15.8751 11.301 TIMING: 1384000 CPU: 4115.19, 0.00294343/step Wall: 4115.19, 0.00294343/step, 2.95651 hours remaining, 205.527344 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: 1384000 762.2216 2129.4653 1967.5767 118.4389 -205922.7912 17776.5002 0.0000 0.0000 34238.9002 -148929.6883 299.0168 -183168.5885 -148833.0215 298.8957 -26.4541 4.8393 559354.8474 -12.8306 -12.6507 PRESSURE: 1384200 -57.1056 -120.113 -102.966 -120.114 -263.657 46.102 -102.965 46.0995 -147.348 GPRESSURE: 1384200 -51.6236 -76.3729 -44.7326 -155 -237.175 121.863 -116.411 28.2929 -83.807 PRESSAVG: 1384200 6.78275 -11.6078 42.0512 -11.6077 69.2889 -3.91589 42.0511 -3.9157 -56.5434 GPRESSAVG: 1384200 7.92349 -11.1646 42.4605 -12.4419 68.8344 -2.97721 38.6197 -4.17349 -57.2312 TIMING: 1384200 CPU: 4115.78, 0.00295416/step Wall: 4115.78, 0.00295416/step, 2.96713 hours remaining, 205.527344 MB of memory in use. ENERGY: 1384200 787.1570 2107.9699 1956.6146 106.3126 -205993.2218 17759.7111 0.0000 0.0000 34428.2780 -148847.1785 300.6707 -183275.4565 -148752.4846 299.6633 -156.0369 -124.2018 560549.6285 6.5094 6.5089 LDB: ============= START OF LOAD BALANCING ============== 4119.21 LDB: ============== END OF LOAD BALANCING =============== 4119.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4119.21 LDB: ============= START OF LOAD BALANCING ============== 4119.51 LDB: Largest compute 4847 load 0.028786 is 24.4% of average load 0.118040 LDB: Average compute 0.001711 is 1.4% of average load 0.118040 LDB: TIME 4119.51 LOAD: AVG 0.11804 MAX 0.199524 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.812 MB LDB: TIME 4119.51 LOAD: AVG 0.11804 MAX 0.199524 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.816 MB LDB: TIME 4119.51 LOAD: AVG 0.11804 MAX 0.199524 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.816 MB LDB: ============== END OF LOAD BALANCING =============== 4119.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4119.52 PRESSURE: 1384400 -125.202 75.7894 13.8127 75.7888 -175.859 -3.33172 13.8132 -3.33193 204.846 GPRESSURE: 1384400 -111.157 70.4719 0.825919 104.556 -112.005 3.11344 -72.4376 22.4056 217.034 PRESSAVG: 1384400 -29.0391 16.7528 -3.59049 16.7528 -1.68402 33.6182 -3.59046 33.6183 9.0308 GPRESSAVG: 1384400 -29.9659 15.6944 -1.9636 17.3324 -1.34273 33.5095 -3.4207 33.6074 9.82125 TIMING: 1384400 CPU: 4116.39, 0.00302277/step Wall: 4116.39, 0.00302277/step, 3.03587 hours remaining, 205.156250 MB of memory in use. ENERGY: 1384400 770.6388 2161.0704 1968.2545 119.7296 -206143.6290 17807.4434 0.0000 0.0000 34566.6118 -148749.8806 301.8788 -183316.4924 -148651.0317 299.6738 -32.0717 -2.0428 558669.7858 -7.2308 -7.1625 PRESSURE: 1384600 -71.9298 122.234 81.5515 122.234 -187.317 179.535 81.5533 179.537 -493.714 GPRESSURE: 1384600 -87.3168 123.133 58.9538 191.661 -83.7227 139.433 72.4529 232.589 -489.385 PRESSAVG: 1384600 -2.5207 -19.0049 46.2461 -19.005 -42.1555 -6.76871 46.2462 -6.76872 43.9365 GPRESSAVG: 1384600 -1.72408 -19.9767 44.8172 -21.5104 -41.3643 -6.8944 47.0273 -5.23742 41.597 TIMING: 1384600 CPU: 4116.98, 0.00297166/step Wall: 4116.98, 0.00297166/step, 2.98437 hours remaining, 205.359375 MB of memory in use. ENERGY: 1384600 758.3172 2149.9504 1934.7225 116.7328 -205647.7894 17381.8622 0.0000 0.0000 34348.0092 -148958.1950 299.9697 -183306.2043 -148867.0982 299.9819 -250.9870 -220.1414 559740.6949 -0.2466 -0.4971 PRESSURE: 1384800 -70.0035 158.466 -113.826 158.467 106.736 -46.433 -113.826 -46.4336 222.39 GPRESSURE: 1384800 15.4288 140.953 -111.221 13.0348 48.9681 -35.278 -102.114 -159.684 300.479 PRESSAVG: 1384800 5.27552 29.414 33.9742 29.414 -6.60062 -25.7739 33.9742 -25.7739 5.73543 GPRESSAVG: 1384800 4.87166 29.9616 35.4805 30.8453 -8.28723 -24.7024 32.4311 -26.5117 7.75663 TIMING: 1384800 CPU: 4117.58, 0.00298637/step Wall: 4117.58, 0.00298637/step, 2.99898 hours remaining, 205.359375 MB of memory in use. ENERGY: 1384800 733.7375 2121.7398 1961.5508 117.5999 -206256.9658 17829.2696 0.0000 0.0000 34459.7492 -149033.3191 300.9456 -183493.0683 -148928.4959 299.8130 86.3741 121.6252 557004.8454 1.4701 1.4470 PRESSURE: 1385000 -121.066 76.8348 -95.057 76.8355 150.236 -62.858 -95.0581 -62.8578 -247.53 GPRESSURE: 1385000 -95.7605 85.5058 -44.596 -47.0285 195.071 -61.5609 -127.211 -95.7591 -215.3 PRESSAVG: 1385000 -11.3983 2.5303 17.2137 2.53026 -18.8603 -4.07843 17.2137 -4.07854 48.9361 GPRESSAVG: 1385000 -11.4849 3.36062 16.1704 0.67557 -17.6358 -4.52816 18.6586 -4.61423 48.2066 TIMING: 1385000 CPU: 4118.17, 0.00296993/step Wall: 4118.17, 0.00296993/step, 2.9823 hours remaining, 205.359375 MB of memory in use. ENERGY: 1385000 760.2952 2083.7822 1953.6257 106.9055 -206017.1477 17806.0041 0.0000 0.0000 34404.6481 -148901.8869 300.4643 -183306.5350 -148809.5496 299.7208 -72.7865 -38.6635 558893.5353 6.2258 6.3619 PRESSURE: 1385200 107.916 2.87716 25.3964 2.87758 337.274 69.7876 25.3959 69.7889 -125.194 GPRESSURE: 1385200 139.63 -4.66218 -47.3882 27.6324 382.94 77.1485 89.1252 50.7174 -96.0762 PRESSAVG: 1385200 8.1313 6.00683 53.5435 6.00676 37.7361 -29.6964 53.5435 -29.6965 -5.13503 GPRESSAVG: 1385200 7.53236 5.62856 54.5046 6.89627 38.8709 -29.3753 55.1689 -29.7738 -5.36994 TIMING: 1385200 CPU: 4118.77, 0.00296257/step Wall: 4118.77, 0.00296257/step, 2.97475 hours remaining, 205.359375 MB of memory in use. ENERGY: 1385200 783.7815 2060.6325 1962.4326 116.4758 -205740.8117 17923.7655 0.0000 0.0000 34225.7571 -148667.9667 298.9020 -182893.7238 -148567.3216 300.3332 106.6653 142.1645 556889.8589 13.5775 13.6778 PRESSURE: 1385400 243.978 -153.584 209.219 -153.585 100.729 1.74997 209.219 1.74903 -57.1738 GPRESSURE: 1385400 298.654 -104.24 242.938 -290.747 95.1192 -89.0225 143.054 117.957 -12.0654 PRESSAVG: 1385400 -47.4183 -23.9463 33.6545 -23.9464 36.9612 -1.80598 33.6543 -1.80606 -20.0117 GPRESSAVG: 1385400 -47.7208 -20.7109 34.1284 -25.5542 35.0002 -2.86307 32.4221 -0.697894 -18.2997 TIMING: 1385400 CPU: 4119.37, 0.00299112/step Wall: 4119.37, 0.00299112/step, 3.00325 hours remaining, 205.359375 MB of memory in use. ENERGY: 1385400 724.9138 2036.6168 1939.7898 100.6580 -206177.8272 17971.1031 0.0000 0.0000 34630.6240 -148774.1216 302.4379 -183404.7457 -148675.9665 300.2973 95.8445 127.2360 557908.6424 -10.1563 -10.3401 PRESSURE: 1385600 -54.1895 -58.6809 -118.318 -58.6804 142.887 -104.062 -118.318 -104.06 -93.0695 GPRESSURE: 1385600 35.9219 -55.28 -18.3914 17.671 59.8171 -165.768 -176.873 -61.1729 -8.0583 PRESSAVG: 1385600 -26.2454 -28.3257 -7.83724 -28.3257 37.1485 13.6219 -7.83721 13.622 13.7146 GPRESSAVG: 1385600 -25.8158 -31.3039 -8.23318 -27.1013 36.8165 13.3772 -7.50859 12.577 13.2274 TIMING: 1385600 CPU: 4119.96, 0.00297201/step Wall: 4119.96, 0.00297201/step, 2.9839 hours remaining, 205.359375 MB of memory in use. ENERGY: 1385600 756.6708 2059.9135 1939.3287 120.8167 -206116.7842 17953.4193 0.0000 0.0000 34409.6658 -148876.9693 300.5082 -183286.6351 -148776.3720 300.3549 -1.4574 29.2269 558312.8467 8.2059 8.0760 PRESSURE: 1385800 -182.105 -5.07745 37.7646 -5.07753 -227.748 6.12079 37.7645 6.1215 -349.786 GPRESSURE: 1385800 -132.172 6.7019 75.429 50.0553 -163.736 -29.4361 -22.3561 77.6084 -368.024 PRESSAVG: 1385800 37.212 -13.7537 -52.6061 -13.7538 33.0272 -31.0398 -52.6063 -31.0398 -76.201 GPRESSAVG: 1385800 37.6716 -13.0368 -51.389 -12.4249 33.3238 -30.8564 -54.2946 -29.1389 -77.6232 TIMING: 1385800 CPU: 4120.55, 0.00296847/step Wall: 4120.55, 0.00296847/step, 2.98018 hours remaining, 205.359375 MB of memory in use. ENERGY: 1385800 759.9207 2097.3397 1952.1326 112.7171 -205713.0471 17466.0143 0.0000 0.0000 34246.5197 -149078.4030 299.0834 -183324.9227 -148979.6491 300.3101 -253.2129 -221.3103 560349.1698 -1.9872 -2.2093 PRESSURE: 1386000 3.37826 -85.1655 -6.95815 -85.1656 188.334 -181.727 -6.95844 -181.727 201.794 GPRESSURE: 1386000 41.6945 -119.741 -73.0609 -122.334 269.456 -174.377 -11.3163 -120.643 172.919 PRESSAVG: 1386000 66.0473 -10.285 -32.576 -10.285 -13.9594 -30.8985 -32.5759 -30.8986 -101.375 GPRESSAVG: 1386000 66.2796 -12.3093 -35.0891 -9.70274 -14.2662 -29.8002 -31.4728 -33.8525 -100.79 TIMING: 1386000 CPU: 4121.15, 0.00298339/step Wall: 4121.15, 0.00298339/step, 2.99499 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: 1386000 734.4091 2089.8237 1933.8217 110.9200 -205938.4167 17654.3038 0.0000 0.0000 34355.0540 -149060.0844 300.0312 -183415.1384 -148956.9858 299.0791 131.1687 161.3563 558160.1839 -16.4289 -16.2588 PRESSURE: 1386200 -217.558 -51.7051 -50.6629 -51.7051 -50.4057 -109.932 -50.6633 -109.932 -151.134 GPRESSURE: 1386200 -166.579 -67.5478 -36.7401 -76.6563 -57.5109 -130.239 -2.73661 -107.977 -101.584 PRESSAVG: 1386200 43.5451 3.56429 12.5812 3.56421 32.7304 -25.3313 12.5812 -25.3314 -26.3858 GPRESSAVG: 1386200 42.3334 5.4485 13.5455 2.13552 33.9319 -24.2942 12.833 -24.0535 -26.2181 TIMING: 1386200 CPU: 4121.74, 0.00295585/step Wall: 4121.74, 0.00295585/step, 2.96718 hours remaining, 205.359375 MB of memory in use. ENERGY: 1386200 748.4356 2034.2018 1956.4157 112.7913 -206013.6230 17747.4600 0.0000 0.0000 34274.8667 -149139.4520 299.3309 -183414.3186 -149040.3659 299.8830 -139.6994 -108.5581 559117.1295 16.6299 16.6824 PRESSURE: 1386400 -43.2801 41.3846 69.5935 41.3848 -26.4784 -47.3257 69.5925 -47.3258 41.7432 GPRESSURE: 1386400 -10.9069 1.78243 49.3285 -54.7855 -36.7814 -100.855 74.2092 -19.2296 114.3 PRESSAVG: 1386400 -1.9631 16.7406 53.5515 16.7407 1.66919 -55.3754 53.5514 -55.3755 -5.19752 GPRESSAVG: 1386400 -1.98276 17.4402 55.3369 15.5016 1.19412 -57.057 52.9659 -54.4981 -4.5847 TIMING: 1386400 CPU: 4122.33, 0.00293537/step Wall: 4122.33, 0.00293537/step, 2.94646 hours remaining, 205.359375 MB of memory in use. ENERGY: 1386400 721.6897 2077.2401 1955.9994 113.3319 -206203.5301 17854.8560 0.0000 0.0000 34516.6848 -148963.7282 301.4428 -183480.4130 -148876.0771 299.6797 -9.3384 22.2039 559406.0279 -1.8305 -1.7911 PRESSURE: 1386600 -16.2982 271.933 33.2681 271.934 -51.6574 -67.744 33.2697 -67.743 -132.897 GPRESSURE: 1386600 97.2246 164.535 93.4513 334.905 -46.977 -0.215203 -39.0164 -96.1037 -168.087 PRESSAVG: 1386600 -30.8563 6.55562 31.03 6.5557 6.65785 -10.8051 31.03 -10.8053 30.4755 GPRESSAVG: 1386600 -30.4892 4.57102 30.4766 9.16405 7.48002 -8.64917 32.1217 -10.8279 28.9562 TIMING: 1386600 CPU: 4122.92, 0.00293886/step Wall: 4122.92, 0.00293886/step, 2.94979 hours remaining, 205.359375 MB of memory in use. ENERGY: 1386600 736.2574 2115.7227 1957.5448 118.1467 -205995.3181 17595.1598 0.0000 0.0000 34589.6546 -148882.8320 302.0801 -183472.4866 -148781.3678 300.1603 -66.9509 -39.2798 558392.1429 2.0923 1.9823 PRESSURE: 1386800 6.93031 99.8865 150.846 99.8865 -211.638 30.0972 150.845 30.0974 -228.625 GPRESSURE: 1386800 64.0954 75.4274 152.17 62.0992 -158.586 -4.44726 165.81 26.6329 -242.797 PRESSAVG: 1386800 -19.0309 49.6734 38.1602 49.6734 54.4218 -37.9673 38.1602 -37.9672 -51.0247 GPRESSAVG: 1386800 -19.3369 48.8366 36.2309 48.1701 53.9604 -37.2696 37.8379 -38.8575 -50.6241 TIMING: 1386800 CPU: 4123.51, 0.00297217/step Wall: 4123.51, 0.00297217/step, 2.98306 hours remaining, 205.359375 MB of memory in use. ENERGY: 1386800 777.5130 2078.8278 1953.4196 112.6766 -205802.4376 17733.2853 0.0000 0.0000 34244.3326 -148902.3827 299.0643 -183146.7153 -148810.0901 299.4313 -144.4442 -112.4291 558776.4789 -5.2113 -5.3335 PRESSURE: 1387000 -41.1029 33.0962 -52.2609 33.0966 -191.353 121.08 -52.2629 121.08 -40.1823 GPRESSURE: 1387000 -15.9853 -42.9202 -47.7393 31.8456 -143.08 65.3861 48.1177 103.401 -9.55558 PRESSAVG: 1387000 58.2352 -52.631 51.8753 -52.6311 -56.9448 21.1928 51.8753 21.1928 -5.32986 GPRESSAVG: 1387000 58.2886 -50.8245 53.2089 -52.6413 -57.6202 20.1669 51.1762 21.6474 -4.68389 TIMING: 1387000 CPU: 4124.1, 0.00295661/step Wall: 4124.1, 0.00295661/step, 2.96728 hours remaining, 205.359375 MB of memory in use. ENERGY: 1387000 743.4169 2082.7187 1973.6502 114.5794 -205825.1733 17733.4182 0.0000 0.0000 34277.8233 -148899.5665 299.3568 -183177.3897 -148801.2878 299.9405 -90.8795 -56.2070 558770.1453 -1.3465 -1.3385 PRESSURE: 1387200 31.9956 96.966 -121.662 96.964 9.26785 60.5761 -121.662 60.5767 -240.395 GPRESSURE: 1387200 27.1432 79.1435 -144.324 38.6043 4.59623 19.8486 -153.295 114.405 -138.131 PRESSAVG: 1387200 0.758235 5.78682 -78.2272 5.78676 0.39916 29.3134 -78.2273 29.3134 -9.08385 GPRESSAVG: 1387200 2.19669 6.49133 -80.0749 5.01528 0.409074 29.2808 -76.7209 29.4451 -10.3987 TIMING: 1387200 CPU: 4124.69, 0.00295119/step Wall: 4124.69, 0.00295119/step, 2.96168 hours remaining, 205.359375 MB of memory in use. ENERGY: 1387200 732.7672 2096.2061 1926.2159 116.9217 -206020.9105 17602.5973 0.0000 0.0000 34505.1994 -149041.0029 301.3425 -183546.2023 -148939.6010 300.1316 -66.3772 -35.4640 556638.6152 -2.6422 -2.5976 PRESSURE: 1387400 -92.1104 -108.077 -90.7361 -108.079 -95.9294 47.8603 -90.7356 47.8595 -121.991 GPRESSURE: 1387400 -46.7668 -124.249 -114.531 -49.6919 -27.1299 6.654 14.3342 43.9351 -141.776 PRESSAVG: 1387400 87.5355 -3.34102 -124.238 -3.34099 -34.1551 8.799 -124.238 8.79891 -49.9694 GPRESSAVG: 1387400 86.5754 -1.95443 -123.305 -3.59725 -33.1475 6.45194 -124.597 9.95575 -49.6253 TIMING: 1387400 CPU: 4125.28, 0.0029369/step Wall: 4125.28, 0.0029369/step, 2.94718 hours remaining, 205.359375 MB of memory in use. ENERGY: 1387400 741.7430 2085.4152 1946.0811 126.6909 -205713.8115 17542.8882 0.0000 0.0000 34191.1203 -149079.8727 298.5996 -183270.9930 -148977.9685 299.6856 -103.3436 -71.8908 557491.8442 1.1370 1.2675 PRESSURE: 1387600 -81.5311 -85.165 -159.755 -85.1647 -425.633 48.9481 -159.755 48.9488 -339.474 GPRESSURE: 1387600 -31.5813 -86.1534 -177.346 -84.6508 -377.927 126.545 -109.502 -16.0376 -339.74 PRESSAVG: 1387600 87.1191 10.5522 -58.1561 10.5521 -60.5964 -2.50784 -58.1562 -2.50785 -64.9811 GPRESSAVG: 1387600 87.0759 8.80818 -57.612 12.2484 -60.254 -0.669142 -58.58 -3.09421 -65.6881 TIMING: 1387600 CPU: 4125.87, 0.00293692/step Wall: 4125.87, 0.00293692/step, 2.94704 hours remaining, 205.359375 MB of memory in use. ENERGY: 1387600 758.8245 2063.7764 1936.1995 105.7890 -206167.4330 17659.5424 0.0000 0.0000 34519.0772 -149124.2241 301.4637 -183643.3012 -149022.3981 299.8906 -282.2128 -249.7496 558244.5464 -12.8195 -12.9554 PRESSURE: 1387800 -5.99107 -115.174 -182.486 -115.175 -28.6103 65.8386 -182.485 65.8357 -31.5027 GPRESSURE: 1387800 44.733 -183.586 -197.671 -103.674 -35.7523 9.48909 -113.697 147.516 11.7558 PRESSAVG: 1387800 35.2745 8.8893 -67.9129 8.88933 -70.9037 57.1498 -67.913 57.1498 25.8732 GPRESSAVG: 1387800 35.3395 10.7948 -69.3203 6.5376 -73.1881 55.9414 -67.5515 56.9073 27.4122 TIMING: 1387800 CPU: 4126.46, 0.00295058/step Wall: 4126.46, 0.00295058/step, 2.96058 hours remaining, 205.359375 MB of memory in use. ENERGY: 1387800 711.0659 2081.5738 1972.6412 104.1647 -206017.3717 17725.4449 0.0000 0.0000 34222.1932 -149200.2880 298.8709 -183422.4813 -149101.8174 299.3673 -22.0347 6.9122 557398.9678 -3.2520 -3.4788 PRESSURE: 1388000 -249.353 -61.0676 3.79893 -61.0678 -201.435 5.59364 3.79756 5.59267 -293.645 GPRESSURE: 1388000 -209.842 23.2056 5.65486 -23.9184 -195.426 42.9649 31.7293 74.2511 -238.881 PRESSAVG: 1388000 -6.54894 -6.8926 -37.6142 -6.89258 -10.5496 -49.0628 -37.6143 -49.0629 -5.33303 GPRESSAVG: 1388000 -6.57697 -9.12234 -37.5454 -4.81376 -9.41563 -47.6201 -38.3311 -51.0393 -6.28584 TIMING: 1388000 CPU: 4127.05, 0.00296601/step Wall: 4127.05, 0.00296601/step, 2.97589 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: 1388000 793.6032 2001.8887 1932.3042 109.0460 -205776.3157 17435.4905 0.0000 0.0000 34397.5090 -149106.4742 300.4020 -183503.9832 -149010.3801 299.1043 -248.1443 -214.7162 558092.6884 -7.4772 -7.4261 PRESSURE: 1388200 -161.655 -121.412 -61.9524 -121.412 -199.772 -103.021 -61.9532 -103.02 -207.34 GPRESSURE: 1388200 -122.451 -153.967 -49.866 -37.9206 -143.455 -63.2091 -98.9169 -84.4787 -203.143 PRESSAVG: 1388200 -18.5743 41.5994 -1.01102 41.5994 19.8343 -32.7785 -1.01097 -32.7784 -0.0506149 GPRESSAVG: 1388200 -18.2226 42.5754 -1.12178 41.1384 19.5706 -32.641 -1.62637 -31.3362 -0.392579 TIMING: 1388200 CPU: 4127.64, 0.00294938/step Wall: 4127.64, 0.00294938/step, 2.95905 hours remaining, 205.359375 MB of memory in use. ENERGY: 1388200 737.0493 2075.2150 1971.9890 112.9540 -205564.3102 17429.4450 0.0000 0.0000 34184.3723 -149053.2856 298.5406 -183237.6579 -148959.1754 298.9259 -189.5890 -156.3496 558366.8301 0.4031 0.3185 LDB: ============= START OF LOAD BALANCING ============== 4131.06 LDB: ============== END OF LOAD BALANCING =============== 4131.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4131.07 LDB: ============= START OF LOAD BALANCING ============== 4131.36 LDB: Largest compute 4847 load 0.029296 is 24.8% of average load 0.118045 LDB: Average compute 0.001717 is 1.5% of average load 0.118045 LDB: TIME 4131.36 LOAD: AVG 0.118045 MAX 0.197231 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.926 MB LDB: TIME 4131.36 LOAD: AVG 0.118045 MAX 0.197231 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.926 MB LDB: TIME 4131.36 LOAD: AVG 0.118045 MAX 0.197231 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.926 MB LDB: ============== END OF LOAD BALANCING =============== 4131.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4131.37 PRESSURE: 1388400 329.9 38.098 20.2363 38.0987 266.571 -3.00712 20.2352 -3.00688 91.6877 GPRESSURE: 1388400 351.37 19.5872 95.0888 121.036 347.384 1.33051 27.1248 46.5313 83.2395 PRESSAVG: 1388400 -0.937946 35.6468 -15.2997 35.6469 38.0625 -33.8163 -15.2997 -33.8162 -19.8081 GPRESSAVG: 1388400 -2.19068 35.9826 -12.7995 35.9881 38.2746 -33.1899 -13.122 -35.6803 -18.8963 TIMING: 1388400 CPU: 4128.24, 0.00300479/step Wall: 4128.24, 0.00300479/step, 3.01447 hours remaining, 204.710938 MB of memory in use. ENERGY: 1388400 760.9244 2131.0742 1935.1712 94.1301 -206651.8552 18271.9554 0.0000 0.0000 34255.2615 -149203.3383 299.1597 -183458.5999 -149104.8998 299.9081 229.3861 260.6646 556569.4596 5.7721 5.7292 PRESSURE: 1388600 71.0202 -188.745 -72.3788 -188.746 122.801 -53.9283 -72.3786 -53.9283 35.2463 GPRESSURE: 1388600 86.0294 -198.441 -26.5193 -193.246 146.316 -93.2914 -93.0437 -17.8701 89.4052 PRESSAVG: 1388600 13.6602 -29.1144 34.0773 -29.1144 9.84595 -36.5547 34.0773 -36.5548 10.4128 GPRESSAVG: 1388600 13.8998 -27.9265 34.117 -30.7297 10.0313 -38.0765 31.63 -36.1635 9.90563 TIMING: 1388600 CPU: 4128.83, 0.00294685/step Wall: 4128.83, 0.00294685/step, 2.95618 hours remaining, 204.710938 MB of memory in use. ENERGY: 1388600 754.4842 2063.3232 1924.2967 96.7573 -206336.1596 18049.5015 0.0000 0.0000 34432.1273 -149015.6695 300.7043 -183447.7968 -148922.8501 299.7633 76.3559 107.2502 557648.8449 11.3063 11.2789 PRESSURE: 1388800 79.2466 -166.3 85.2827 -166.3 160.688 -27.4158 85.2831 -27.4151 -203.67 GPRESSURE: 1388800 76.0082 -134.498 89.0239 -164.835 203.282 -8.3217 58.8195 -30.8212 -157.679 PRESSAVG: 1388800 10.963 -19.241 22.9558 -19.241 -11.9327 -22.3854 22.9557 -22.3854 -9.29058 GPRESSAVG: 1388800 11.1028 -18.7147 20.4859 -18.2384 -12.6075 -21.1495 24.3118 -22.4967 -8.1127 TIMING: 1388800 CPU: 4129.42, 0.00295529/step Wall: 4129.42, 0.00295529/step, 2.96449 hours remaining, 204.710938 MB of memory in use. ENERGY: 1388800 691.0593 2072.4545 1952.9938 112.4897 -205863.9057 17694.2605 0.0000 0.0000 34370.8053 -148969.8425 300.1688 -183340.6478 -148865.4462 299.7006 12.0881 40.5373 558471.9508 -3.4201 -3.2058 PRESSURE: 1389000 143.198 -58.137 43.723 -58.1373 76.7666 218.512 43.7236 218.511 -79.505 GPRESSURE: 1389000 214.829 -30.9658 90.1512 -93.9104 86.8675 173.389 3.68161 125.266 -73.2403 PRESSAVG: 1389000 -32.1956 -30.702 46.8195 -30.702 30.1313 41.1818 46.8196 41.1819 -8.16658 GPRESSAVG: 1389000 -32.266 -34.1577 47.5425 -30.0187 31.7248 39.3355 46.3754 42.0938 -9.24237 TIMING: 1389000 CPU: 4130.01, 0.00295549/step Wall: 4130.01, 0.00295549/step, 2.96452 hours remaining, 204.710938 MB of memory in use. ENERGY: 1389000 718.4911 2130.2823 1929.7917 111.4912 -205699.9999 17806.3857 0.0000 0.0000 34253.5657 -148749.9922 299.1449 -183003.5579 -148658.4033 299.5745 46.8198 76.1521 559069.7530 -3.4103 -3.2612 PRESSURE: 1389200 -351.259 -144.836 -110.96 -144.835 -416.103 -5.51721 -110.96 -5.51807 -144.605 GPRESSURE: 1389200 -292.208 -257.082 -127.53 -76.5504 -414.405 -21.9271 -108.121 -77.1527 -106.853 PRESSAVG: 1389200 -16.5582 31.9303 -30.9526 31.9302 70.7662 -5.48082 -30.9526 -5.48084 -55.7312 GPRESSAVG: 1389200 -15.8873 35.0163 -32.4924 30.939 69.842 -2.10704 -29.6023 -6.79754 -54.809 TIMING: 1389200 CPU: 4130.61, 0.00297062/step Wall: 4130.61, 0.00297062/step, 2.97954 hours remaining, 204.710938 MB of memory in use. ENERGY: 1389200 742.4500 2105.3235 1941.0193 115.6540 -205428.9299 17413.8080 0.0000 0.0000 34471.2101 -148639.4650 301.0457 -183110.6751 -148538.9692 300.4926 -303.9894 -271.1553 559711.5889 -0.5077 -0.2848 PRESSURE: 1389400 -33.0334 185.613 -142.534 185.614 108.783 -76.4539 -142.532 -76.4533 -154.789 GPRESSURE: 1389400 32.5946 90.0099 -199.167 194.577 71.4763 -33.8804 -94.7877 -54.3906 -84.1997 PRESSAVG: 1389400 -18.535 53.2674 34.7433 53.2674 6.37653 37.377 34.7433 37.3771 10.4794 GPRESSAVG: 1389400 -18.3107 50.1479 38.369 54.1477 6.53882 34.7449 33.1897 39.0013 10.1029 TIMING: 1389400 CPU: 4131.2, 0.00295772/step Wall: 4131.2, 0.00295772/step, 2.96642 hours remaining, 204.710938 MB of memory in use. ENERGY: 1389400 715.5117 2036.8399 1948.5590 113.5970 -205741.4362 17703.9397 0.0000 0.0000 34666.0996 -148556.8893 302.7477 -183222.9889 -148462.1970 301.0313 -26.3466 6.6237 558399.7846 -0.5597 -0.5564 PRESSURE: 1389600 -46.2741 -181.224 11.6428 -181.225 239.307 -45.5522 11.6426 -45.5512 286.464 GPRESSURE: 1389600 -38.6228 -135.711 5.94647 -222.589 278.122 -5.19284 74.0052 -129.263 320.427 PRESSAVG: 1389600 -53.938 18.9153 -1.36828 18.9154 17.4092 -57.6336 -1.36829 -57.6337 -2.97751 GPRESSAVG: 1389600 -55.0608 20.4304 -2.68615 18.2741 17.0769 -54.8593 -3.92056 -59.3294 -1.90629 TIMING: 1389600 CPU: 4131.79, 0.00294931/step Wall: 4131.79, 0.00294931/step, 2.95783 hours remaining, 204.710938 MB of memory in use. ENERGY: 1389600 748.6450 2009.6716 1961.5097 100.8024 -205851.2949 17974.5618 0.0000 0.0000 34515.2970 -148540.8074 301.4307 -183056.1044 -148440.7164 300.9879 159.8321 186.6423 559266.3181 -13.1688 -13.2967 PRESSURE: 1389800 -128.478 -78.1843 35.697 -78.1853 12.1246 91.2136 35.6964 91.2138 166.757 GPRESSURE: 1389800 -38.8077 -48.1995 -51.3165 -36.8581 99.1444 83.0552 32.6593 111.329 88.4963 PRESSAVG: 1389800 -2.0035 -2.1456 -51.1411 -2.1457 -31.9876 16.2272 -51.1411 16.2271 44.4331 GPRESSAVG: 1389800 -0.51065 -2.18878 -53.2687 0.434971 -31.7641 14.1909 -48.1977 17.4333 43.0304 TIMING: 1389800 CPU: 4132.38, 0.00294572/step Wall: 4132.38, 0.00294572/step, 2.95407 hours remaining, 204.710938 MB of memory in use. ENERGY: 1389800 704.7701 2097.4878 1967.4156 119.0827 -205684.6457 17834.9517 0.0000 0.0000 34365.9270 -148595.0107 300.1262 -182960.9378 -148500.0695 301.6823 16.8013 49.6110 558719.7658 3.4807 3.5852 PRESSURE: 1390000 88.8214 -99.5273 -53.5987 -99.5279 -131.347 144.636 -53.5989 144.638 207.148 GPRESSURE: 1390000 120.47 -33.8822 -101.346 -155.824 -131.079 211.384 -27.0255 80.0129 257.707 PRESSAVG: 1390000 54.6712 -0.987517 1.7257 -0.987537 -35.5933 31.0144 1.72573 31.0143 -4.46336 GPRESSAVG: 1390000 53.5343 -0.662368 3.63946 -4.007 -35.5613 31.1117 -0.685969 29.3143 -3.60696 TIMING: 1390000 CPU: 4132.97, 0.00295035/step Wall: 4132.97, 0.00295035/step, 2.95854 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: 1390000 763.2026 2069.2021 1945.6932 100.9157 -205996.6177 17866.4218 0.0000 0.0000 34486.9614 -148764.2210 301.1832 -183251.1824 -148660.3179 301.2644 54.8740 82.3658 558174.4085 4.8715 4.7887 PRESSURE: 1390200 -254.693 -14.6279 55.1675 -14.6286 -345.088 -30.2118 55.1679 -30.2111 -235.666 GPRESSURE: 1390200 -206.99 -18.9132 53.1144 -25.6133 -377.11 -48.0589 30.8353 -77.0074 -152.135 PRESSAVG: 1390200 68.3906 21.548 -27.5269 21.5481 -21.1355 107.508 -27.527 107.508 -39.6175 GPRESSAVG: 1390200 68.5007 23.4536 -26.8616 20.9755 -21.4797 107.449 -25.5482 108.771 -39.4492 TIMING: 1390200 CPU: 4133.56, 0.00295472/step Wall: 4133.56, 0.00295472/step, 2.96277 hours remaining, 204.710938 MB of memory in use. ENERGY: 1390200 766.9854 2123.1317 1963.1969 121.8798 -205511.3399 17350.4861 0.0000 0.0000 34304.0440 -148881.6160 299.5857 -183185.6600 -148782.4414 300.2699 -278.4822 -245.4117 559815.3249 2.5459 2.5239 PRESSURE: 1390400 -0.505164 -61.4202 -44.2956 -61.4192 -3.26891 -7.19696 -44.2963 -7.19692 199.141 GPRESSURE: 1390400 -2.9361 -16.963 -39.1282 -55.5478 32.4208 7.30604 -58.7409 -143.279 262.427 PRESSAVG: 1390400 -39.6538 5.91458 -30.0026 5.91457 47.6394 33.9756 -30.0026 33.9754 -7.14389 GPRESSAVG: 1390400 -39.0165 5.35708 -30.571 8.67631 48.5509 33.5085 -29.9628 33.4161 -8.16521 TIMING: 1390400 CPU: 4134.15, 0.0029772/step Wall: 4134.15, 0.0029772/step, 2.98514 hours remaining, 204.710938 MB of memory in use. ENERGY: 1390400 743.0124 2115.3135 1941.9007 110.7466 -205949.6509 17852.2327 0.0000 0.0000 34436.9368 -148749.5084 300.7463 -183186.4451 -148649.4724 301.1239 65.1223 97.3039 557860.6002 0.2806 0.4564 PRESSURE: 1390600 -136.412 -49.646 -128.52 -49.6449 -175.873 190.12 -128.52 190.121 -161.233 GPRESSURE: 1390600 -93.3031 8.43842 -167.608 -50.9498 -149.983 134.444 -109.411 165.173 -126.458 PRESSAVG: 1390600 39.3425 -4.64762 12.9514 -4.6476 -36.1862 33.3349 12.9514 33.3347 7.90765 GPRESSAVG: 1390600 39.5057 -5.68311 12.4146 -4.8523 -35.6702 30.5025 15.4666 33.7454 7.24049 TIMING: 1390600 CPU: 4134.75, 0.0029882/step Wall: 4134.75, 0.0029882/step, 2.99601 hours remaining, 204.710938 MB of memory in use. ENERGY: 1390600 765.6288 2112.8816 1948.1384 110.7859 -205615.9449 17646.4796 0.0000 0.0000 34418.4578 -148613.5729 300.5850 -183032.0307 -148522.7507 300.5317 -157.8396 -123.2478 558454.0313 3.6880 3.6920 PRESSURE: 1390800 -203.603 80.5262 -78.45 80.5276 -137.753 10.0445 -78.4499 10.045 -298.757 GPRESSURE: 1390800 -140.242 161.575 -42.535 77.9076 -136.929 41.1644 -86.3726 -72.9732 -256.679 PRESSAVG: 1390800 35.3728 5.70058 -44.2663 5.70056 -15.7104 -18.142 -44.2663 -18.142 -66.4019 GPRESSAVG: 1390800 35.9588 6.15707 -43.4856 4.51673 -17.1357 -15.091 -47.7915 -20.6049 -65.4408 TIMING: 1390800 CPU: 4135.34, 0.00294707/step Wall: 4135.34, 0.00294707/step, 2.9546 hours remaining, 204.710938 MB of memory in use. ENERGY: 1390800 754.6395 2115.7410 1954.1596 112.0326 -205773.9431 17591.5982 0.0000 0.0000 34574.3969 -148671.3753 301.9468 -183245.7722 -148572.6975 300.8866 -213.3709 -177.9499 559420.7319 -15.5798 -15.5392 PRESSURE: 1391000 -179.643 212.182 8.46452 212.182 -253.836 -6.0858 8.46496 -6.08493 -86.0982 GPRESSURE: 1391000 -134.774 180.805 51.6363 243.352 -231.951 -37.5925 58.2767 -38.2648 -54.7693 PRESSAVG: 1391000 -33.5124 63.3395 13.0787 63.3394 43.2921 3.7844 13.0787 3.78437 -36.1908 GPRESSAVG: 1391000 -33.8569 62.7411 12.9299 65.328 43.6161 3.83928 14.4674 6.23418 -36.0712 TIMING: 1391000 CPU: 4135.93, 0.00295244/step Wall: 4135.93, 0.00295244/step, 2.95983 hours remaining, 204.710938 MB of memory in use. ENERGY: 1391000 760.7095 2131.0909 1985.1003 114.5204 -205615.3961 17412.6027 0.0000 0.0000 34444.6013 -148766.7710 300.8133 -183211.3723 -148662.5140 300.9599 -173.1923 -140.4983 557799.6080 -8.8037 -8.7706 PRESSURE: 1391200 82.1199 113.433 53.2847 113.433 97.8986 -21.7782 53.2853 -21.7784 10.3387 GPRESSURE: 1391200 136.479 59.3097 89.9389 74.1324 89.4643 -40.9656 56.4896 -12.349 70.9104 PRESSAVG: 1391200 -46.6157 57.7284 -14.6759 57.7285 32.0296 -14.5079 -14.6759 -14.508 13.0777 GPRESSAVG: 1391200 -47.6889 57.3168 -16.8517 54.569 33.5035 -16.9825 -15.7104 -13.8478 12.973 TIMING: 1391200 CPU: 4136.52, 0.00296821/step Wall: 4136.52, 0.00296821/step, 2.97546 hours remaining, 204.710938 MB of memory in use. ENERGY: 1391200 761.4431 2118.3691 1945.8773 118.5706 -205753.1342 17721.1152 0.0000 0.0000 34352.6395 -148735.1194 300.0101 -183087.7589 -148644.2231 300.4877 63.4524 98.9512 555921.7726 -0.5028 -0.4041 PRESSURE: 1391400 166.705 -191.893 26.2038 -191.893 -112.101 48.8695 26.2038 48.8694 -119.5 GPRESSURE: 1391400 216.066 -144.151 9.59791 -216.926 -104.206 -89.2079 -14.3449 54.7385 -93.3916 PRESSAVG: 1391400 -11.7481 30.748 -45.0927 30.748 -27.0621 -19.2738 -45.0928 -19.2737 71.4815 GPRESSAVG: 1391400 -11.6752 30.3653 -43.7389 33.6689 -28.3977 -18.3401 -46.1502 -18.6756 72.2208 TIMING: 1391400 CPU: 4137.12, 0.00296041/step Wall: 4137.12, 0.00296041/step, 2.96748 hours remaining, 204.710938 MB of memory in use. ENERGY: 1391400 741.3220 2070.8152 1922.1956 113.2056 -205800.1034 17692.1164 0.0000 0.0000 34590.4592 -148669.9893 302.0871 -183260.4486 -148566.6782 300.9357 -21.6319 6.1560 556743.9991 10.8904 10.7160 PRESSURE: 1391600 -79.8784 56.607 204.359 56.608 216.511 -24.7716 204.358 -24.7724 4.71739 GPRESSURE: 1391600 -9.53924 46.8298 127.67 49.9082 181.711 -30.0335 156.967 -47.3322 60.2168 PRESSAVG: 1391600 -3.37924 -2.11597 -7.76534 -2.11594 -17.2371 -38.1165 -7.76543 -38.1164 39.5581 GPRESSAVG: 1391600 -2.38812 -2.14342 -7.79438 -3.47082 -17.2784 -37.8435 -6.21277 -38.8811 38.6883 TIMING: 1391600 CPU: 4137.71, 0.00295997/step Wall: 4137.71, 0.00295997/step, 2.96687 hours remaining, 204.710938 MB of memory in use. ENERGY: 1391600 770.4819 2069.9000 1952.5399 122.1422 -206032.1086 17706.8269 0.0000 0.0000 34593.2895 -148816.9282 302.1118 -183410.2177 -148723.9660 301.2973 47.1167 77.4627 556241.7332 6.3139 6.3406 PRESSURE: 1391800 -69.8569 -48.7174 -19.595 -48.7186 -72.8547 -25.0446 -19.5949 -25.0436 -98.1414 GPRESSURE: 1391800 -17.0783 -131.252 3.57386 -24.1106 -53.3741 -11.7849 35.4663 -43.8392 -70.1616 PRESSAVG: 1391800 3.36679 -19.5168 40.6217 -19.5169 31.9719 -49.9634 40.6217 -49.9634 -6.13876 GPRESSAVG: 1391800 3.03601 -18.63 43.1357 -18.8621 31.7066 -51.4209 39.9597 -52.2302 -5.61515 TIMING: 1391800 CPU: 4138.31, 0.00298679/step Wall: 4138.31, 0.00298679/step, 2.9936 hours remaining, 204.710938 MB of memory in use. ENERGY: 1391800 742.4819 2073.5242 1943.0682 121.5709 -206017.8750 17713.4974 0.0000 0.0000 34428.1677 -148995.5647 300.6698 -183423.7323 -148897.0279 300.4698 -80.2843 -46.8713 557323.8289 9.7333 9.7092 PRESSURE: 1392000 -243.431 37.6217 -92.0157 37.6214 -70.1208 -122.916 -92.0155 -122.918 111.084 GPRESSURE: 1392000 -177.528 24.4227 -98.24 47.6011 -105.472 -134.174 -74.3403 -83.4015 177.988 PRESSAVG: 1392000 -79.8721 -33.391 15.2523 -33.3909 -6.8743 -50.5485 15.2522 -50.5485 69.1188 GPRESSAVG: 1392000 -78.7482 -35.1454 12.8646 -34.5061 -7.79415 -49.4604 14.3654 -47.7779 68.702 TIMING: 1392000 CPU: 4138.9, 0.00296923/step Wall: 4138.9, 0.00296923/step, 2.97583 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: 1392000 720.0166 2087.8995 1964.4888 131.9119 -205688.6669 17503.2406 0.0000 0.0000 34148.2125 -149132.8971 298.2248 -183281.1095 -149031.0797 299.2764 -67.4892 -35.0037 558847.5434 -5.8759 -5.9468 PRESSURE: 1392200 -201.026 -129.428 96.2977 -129.427 -13.6154 -143.637 96.2969 -143.639 -292.35 GPRESSURE: 1392200 -171.684 -159.363 88.9545 -139.797 40.2664 -123.549 80.3417 -153.575 -277.748 PRESSAVG: 1392200 3.17164 -72.0258 31.2521 -72.0259 -26.2784 -0.803827 31.2521 -0.803861 26.3424 GPRESSAVG: 1392200 2.74342 -69.3501 31.043 -71.3298 -25.6027 -0.72597 33.7196 -2.18926 26.144 TIMING: 1392200 CPU: 4139.5, 0.00298222/step Wall: 4139.5, 0.00298222/step, 2.98868 hours remaining, 204.710938 MB of memory in use. ENERGY: 1392200 728.1357 2069.6825 1940.4933 111.6367 -205620.0324 17550.4826 0.0000 0.0000 34299.3657 -148920.2358 299.5449 -183219.6016 -148822.2048 299.2177 -168.9972 -136.3886 558222.5226 1.0785 1.0949 LDB: ============= START OF LOAD BALANCING ============== 4142.93 LDB: ============== END OF LOAD BALANCING =============== 4142.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4142.93 LDB: ============= START OF LOAD BALANCING ============== 4143.23 LDB: Largest compute 4847 load 0.028084 is 23.8% of average load 0.118149 LDB: Average compute 0.001706 is 1.4% of average load 0.118149 LDB: TIME 4143.23 LOAD: AVG 0.118149 MAX 0.200146 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 4143.23 LOAD: AVG 0.118149 MAX 0.200146 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: TIME 4143.23 LOAD: AVG 0.118149 MAX 0.200146 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 4143.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4143.24 PRESSURE: 1392400 -125.812 -86.8332 -64.545 -86.8337 269.512 -27.3087 -64.5447 -27.3084 217.763 GPRESSURE: 1392400 -132.281 -54.9082 -12.045 -129.186 298.123 -173.981 -59.9655 33.3606 298.001 PRESSAVG: 1392400 -27.3452 -1.68231 -51.301 -1.68226 -13.3041 -13.6488 -51.3011 -13.6488 24.4119 GPRESSAVG: 1392400 -28.4664 -4.5402 -51.7513 -0.67296 -12.5218 -14.6058 -51.5702 -14.2668 24.5758 TIMING: 1392400 CPU: 4140.11, 0.00305902/step Wall: 4140.11, 0.00305901/step, 3.06547 hours remaining, 204.917969 MB of memory in use. ENERGY: 1392400 717.0321 2111.5470 1933.8561 123.1317 -206075.9947 17831.1709 0.0000 0.0000 34354.3823 -149004.8745 300.0254 -183359.2568 -148915.7743 300.1343 120.4875 154.6145 556556.4993 -5.4125 -5.4708 PRESSURE: 1392600 -179.602 156.048 -69.7305 156.049 90.2313 26.0672 -69.7307 26.0684 -121.634 GPRESSURE: 1392600 -114.364 188.501 -22.2372 222.318 139.666 -52.262 -87.2824 -46.8688 -136.565 PRESSAVG: 1392600 -1.58136 31.3937 7.78312 31.3938 -28.1301 -52.741 7.78309 -52.741 26.829 GPRESSAVG: 1392600 -0.504426 33.56 6.57127 29.1061 -29.4336 -52.8415 8.49007 -53.752 26.2557 TIMING: 1392600 CPU: 4140.71, 0.00301406/step Wall: 4140.71, 0.00301406/step, 3.02026 hours remaining, 204.917969 MB of memory in use. ENERGY: 1392600 772.5017 2120.7226 1939.3122 107.0090 -206439.7124 17873.1888 0.0000 0.0000 34367.2496 -149259.7285 300.1377 -183626.9781 -149165.8512 298.7294 -70.3349 -37.0878 558190.1575 -0.9608 -1.2274 PRESSURE: 1392800 -59.13 91.4072 -9.4388 91.4069 -351.612 84.4208 -9.43828 84.4222 -58.4846 GPRESSURE: 1392800 -44.2629 76.5978 27.1196 60.2099 -327.434 91.0923 -12.0606 173.453 -4.21373 PRESSAVG: 1392800 -2.47512 14.9825 6.46479 14.9825 34.4027 25.6225 6.46477 25.6225 -26.3555 GPRESSAVG: 1392800 -2.90317 14.4027 9.68981 16.6817 34.8869 27.7741 3.6581 28.1952 -26.7264 TIMING: 1392800 CPU: 4141.31, 0.00300395/step Wall: 4141.31, 0.00300395/step, 3.00996 hours remaining, 204.917969 MB of memory in use. ENERGY: 1392800 735.2407 2102.2104 1951.0494 110.4272 -205873.6512 17577.0696 0.0000 0.0000 34083.8330 -149313.8208 297.6626 -183397.6538 -149211.8121 299.2740 -156.4089 -125.3036 558407.2905 1.8574 1.7525 PRESSURE: 1393000 213.047 -87.007 -100.949 -87.0077 -55.5895 0.54336 -100.948 0.541062 -169.172 GPRESSURE: 1393000 208.384 -92.0196 -108.71 -11.6836 -19.4567 -8.20906 -65.9396 9.68735 -115.039 PRESSAVG: 1393000 6.22291 -47.4769 53.1446 -47.477 65.4555 35.8383 53.1445 35.8383 -74.6505 GPRESSAVG: 1393000 5.84591 -47.9365 51.9562 -48.0308 66.4216 35.8969 55.5992 36.1646 -75.1017 TIMING: 1393000 CPU: 4141.91, 0.00301578/step Wall: 4141.91, 0.00301578/step, 3.02164 hours remaining, 204.917969 MB of memory in use. ENERGY: 1393000 748.9209 2154.0840 1964.0723 115.4431 -206318.1104 17857.7617 0.0000 0.0000 34252.7615 -149225.0669 299.1379 -183477.8284 -149136.9252 299.2347 -3.9049 24.6295 557582.9410 -0.9907 -0.9447 PRESSURE: 1393200 60.5508 83.4409 36.8288 83.4423 60.8728 -29.3702 36.8292 -29.3693 57.0535 GPRESSURE: 1393200 143.885 18.2041 7.34104 116.198 93.4962 -18.4215 37.6482 -12.017 46.9173 PRESSAVG: 1393200 10.8421 -19.2093 -1.97431 -19.2092 58.6351 27.8531 -1.97426 27.8532 -58.6819 GPRESSAVG: 1393200 12.7389 -19.7823 -2.33276 -20.4709 57.0521 27.7497 -1.61288 26.425 -58.3171 TIMING: 1393200 CPU: 4142.51, 0.00298847/step Wall: 4142.51, 0.00298847/step, 2.99411 hours remaining, 204.917969 MB of memory in use. ENERGY: 1393200 745.7727 2049.4541 1973.0834 115.5019 -206098.6881 17915.0134 0.0000 0.0000 34221.9553 -149077.9072 298.8688 -183299.8625 -148985.0665 299.8018 59.4924 94.7661 557189.0649 3.5984 3.8246 PRESSURE: 1393400 31.918 -104.041 -39.887 -104.042 -233.21 116.47 -39.8875 116.469 -198.518 GPRESSURE: 1393400 32.5612 -43.5962 40.5036 -131.246 -207.164 122.085 -117.996 96.978 -131.248 PRESSAVG: 1393400 15.7183 -91.8128 4.92511 -91.8129 31.2399 13.2227 4.92515 13.2227 -31.4187 GPRESSAVG: 1393400 14.8837 -90.956 5.24896 -90.1168 31.4828 12.4433 4.87465 14.6607 -30.7292 TIMING: 1393400 CPU: 4143.11, 0.00297645/step Wall: 4143.11, 0.00297645/step, 2.9819 hours remaining, 204.917969 MB of memory in use. ENERGY: 1393400 762.2275 2114.7715 1967.2314 108.8459 -206094.1734 17753.0118 0.0000 0.0000 34333.4228 -149054.6625 299.8423 -183388.0854 -148961.1673 299.9501 -133.2699 -101.9500 558980.9950 5.1798 5.2125 PRESSURE: 1393600 -169.003 -38.6029 31.8012 -38.6026 -40.4605 66.2692 31.801 66.2693 71.426 GPRESSURE: 1393600 -146.358 5.67371 -39.3023 -55.7929 -6.53258 17.1985 42.4834 168.316 110.983 PRESSAVG: 1393600 -29.0694 -32.1353 -7.40086 -32.1354 19.9428 -19.4295 -7.40086 -19.4294 40.5321 GPRESSAVG: 1393600 -28.5888 -29.386 -8.17693 -33.1801 20.0081 -19.1032 -5.94949 -21.0534 40.2294 TIMING: 1393600 CPU: 4143.7, 0.00297524/step Wall: 4143.7, 0.00297524/step, 2.98053 hours remaining, 204.917969 MB of memory in use. ENERGY: 1393600 710.3483 2073.7295 1960.4206 121.1873 -206302.0254 17855.5851 0.0000 0.0000 34362.0699 -149218.6846 300.0925 -183580.7545 -149120.6098 299.9348 -46.0124 -13.9691 556864.2345 10.4685 10.5496 PRESSURE: 1393800 223.484 69.0102 -99.9813 69.0108 333.2 108.33 -99.9801 108.329 243.256 GPRESSURE: 1393800 295.781 114.642 -90.2901 24.5028 349.469 81.2871 -107.46 60.0923 249.312 PRESSAVG: 1393800 7.48373 20.6043 18.3095 20.6044 17.1111 20.2701 18.3094 20.2701 -8.81009 GPRESSAVG: 1393800 7.85292 19.9511 19.5637 20.8955 17.2301 20.2989 15.2567 21.0034 -9.45231 TIMING: 1393800 CPU: 4144.3, 0.00297715/step Wall: 4144.3, 0.00297715/step, 2.98227 hours remaining, 204.917969 MB of memory in use. ENERGY: 1393800 715.2026 2112.6877 1965.9644 105.4017 -206526.0800 18306.3990 0.0000 0.0000 34085.3379 -149235.0868 297.6757 -183320.4246 -149140.3160 298.7938 266.6465 298.1872 557067.2927 5.2616 5.2102 PRESSURE: 1394000 -54.2866 -29.9076 17.2243 -29.9074 320.036 133.864 17.2249 133.863 -192.038 GPRESSURE: 1394000 -73.3607 -22.9058 -9.26702 6.60122 356.809 158.483 65.5775 44.8557 -117.29 PRESSAVG: 1394000 -37.0254 14.9366 64.1552 14.9367 3.13755 -21.625 64.1553 -21.6252 21.9311 GPRESSAVG: 1394000 -39.083 14.7125 62.3707 14.5786 3.48565 -21.5599 68.4905 -22.8527 23.5865 TIMING: 1394000 CPU: 4144.9, 0.00298685/step Wall: 4144.9, 0.00298685/step, 2.99183 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: 1394000 726.1761 2024.8907 1949.4491 105.4168 -206140.1224 17810.0440 0.0000 0.0000 34298.9743 -149225.1714 299.5415 -183524.1457 -149130.5760 298.4293 24.5705 55.3860 557956.2707 -3.9856 -4.0036 PRESSURE: 1394200 -62.8004 -70.6182 38.2752 -70.6178 -52.6624 152.8 38.2751 152.801 72.9513 GPRESSURE: 1394200 7.41858 -63.8723 -83.759 -109.717 -20.0047 315.235 124.06 193.998 59.1272 PRESSAVG: 1394200 -18.8355 -15.2929 -10.686 -15.2929 -27.6801 -10.2519 -10.686 -10.2518 7.03065 GPRESSAVG: 1394200 -17.0454 -15.9689 -10.4708 -15.0506 -28.2653 -11.2578 -13.0837 -8.29811 6.07069 TIMING: 1394200 CPU: 4145.49, 0.00297809/step Wall: 4145.49, 0.00297809/step, 2.98289 hours remaining, 204.917969 MB of memory in use. ENERGY: 1394200 782.5164 2046.1641 1957.9532 123.7008 -205860.3483 17721.4441 0.0000 0.0000 34132.5835 -149095.9862 298.0883 -183228.5697 -149002.3865 299.0524 -14.1705 15.5137 557881.0627 -13.1617 -13.0800 PRESSURE: 1394400 -16.6693 -56.8538 45.1258 -56.8545 207.66 15.8824 45.1256 15.8813 -223.407 GPRESSURE: 1394400 -12.0629 -93.3477 18.0549 48.9507 239.476 3.86219 -69.6773 -6.42184 -157.472 PRESSAVG: 1394400 14.5036 0.635809 -26.5578 0.635748 -2.63351 23.9524 -26.5579 23.9525 6.87533 GPRESSAVG: 1394400 12.4437 0.267614 -24.5075 2.36177 -0.933354 25.8139 -26.8854 24.1913 7.44637 TIMING: 1394400 CPU: 4146.09, 0.00298287/step Wall: 4146.09, 0.00298287/step, 2.98751 hours remaining, 204.917969 MB of memory in use. ENERGY: 1394400 699.4839 2120.2215 1986.8074 124.3897 -205809.1003 17665.3306 0.0000 0.0000 34338.7798 -148874.0873 299.8891 -183212.8672 -148781.3530 299.7639 -10.8053 23.3138 557500.6730 6.2485 6.3189 PRESSURE: 1394600 10.1026 108.493 -127.473 108.493 -15.2822 6.6913 -127.473 6.69324 -73.705 GPRESSURE: 1394600 2.32357 163.851 -129.541 55.0165 81.8834 90.1799 -54.5343 19.3461 -64.1765 PRESSAVG: 1394600 44.4484 21.3616 3.35582 21.3617 57.5781 40.3128 3.3557 40.3129 -53.7575 GPRESSAVG: 1394600 46.4336 23.2848 1.12646 19.3118 56.8247 38.4829 3.43931 39.1182 -55.0112 TIMING: 1394600 CPU: 4146.68, 0.00296091/step Wall: 4146.68, 0.00296091/step, 2.96535 hours remaining, 204.917969 MB of memory in use. ENERGY: 1394600 742.7850 2095.6391 1980.5978 120.5541 -205673.6969 17591.2327 0.0000 0.0000 34248.4614 -148894.4267 299.1003 -183142.8881 -148805.7990 299.8446 -26.2949 6.6768 557706.7839 16.0897 16.0824 PRESSURE: 1394800 -417.542 256.298 -70.7485 256.298 -82.1583 17.9262 -70.7478 17.9259 -187.712 GPRESSURE: 1394800 -376.399 274.831 -91.7904 185.929 -51.2993 45.394 -21.047 62.466 -171.558 PRESSAVG: 1394800 -23.0782 -30.3215 7.75333 -30.3215 60.8235 23.0881 7.75336 23.0881 -43.6568 GPRESSAVG: 1394800 -24.5401 -32.4498 8.29155 -27.9962 60.4301 24.3126 8.00172 24.1273 -41.9918 TIMING: 1394800 CPU: 4147.27, 0.00296385/step Wall: 4147.27, 0.00296385/step, 2.96813 hours remaining, 204.917969 MB of memory in use. ENERGY: 1394800 771.8125 2106.3946 1939.5643 123.6513 -205661.0007 17359.9684 0.0000 0.0000 34410.0374 -148949.5722 300.5114 -183359.6096 -148851.3569 299.5187 -229.1373 -199.7521 558304.0780 -1.9705 -2.0339 PRESSURE: 1395000 -37.936 -14.7168 104.225 -14.7166 -47.3566 -59.6379 104.225 -59.6389 -145.891 GPRESSURE: 1395000 8.93533 83.8581 125.999 -53.0296 4.00838 22.6394 132.315 -60.1903 -147.027 PRESSAVG: 1395000 23.1296 -16.6685 7.98507 -16.6685 35.8743 -37.9255 7.98503 -37.9254 -41.8521 GPRESSAVG: 1395000 23.2231 -14.218 8.91052 -18.896 35.9945 -37.5655 8.18625 -39.9779 -42.3561 TIMING: 1395000 CPU: 4147.87, 0.00299258/step Wall: 4147.87, 0.00299258/step, 2.99674 hours remaining, 204.917969 MB of memory in use. ENERGY: 1395000 736.3255 2117.4399 1926.5752 109.1881 -205903.1378 17569.8333 0.0000 0.0000 34427.2566 -149016.5194 300.6618 -183443.7759 -148912.6736 300.2643 -77.0612 -44.6945 556220.7335 5.7173 5.6205 PRESSURE: 1395200 -298.532 109.308 181.071 109.308 -2.00511 66.7814 181.07 66.781 -50.7543 GPRESSURE: 1395200 -267.586 39.8953 154.293 167.804 -0.805937 32.4095 169.278 90.5894 10.9046 PRESSAVG: 1395200 -65.6226 3.90312 35.1785 3.9032 41.4587 31.3618 35.1786 31.3618 -3.77176 GPRESSAVG: 1395200 -64.8925 1.5097 33.9637 6.28774 40.6209 29.9703 35.6143 32.2074 -4.16269 TIMING: 1395200 CPU: 4148.47, 0.00298974/step Wall: 4148.47, 0.00298974/step, 2.99373 hours remaining, 204.917969 MB of memory in use. ENERGY: 1395200 758.5830 2106.3317 1962.7636 110.1066 -205856.3043 17682.0065 0.0000 0.0000 34319.4329 -148917.0801 299.7201 -183236.5130 -148820.4784 299.7134 -117.0972 -85.8291 558640.6763 -9.3119 -9.4781 PRESSURE: 1395400 -293.579 15.3399 16.4858 15.3393 -203.295 27.6403 16.4861 27.6399 -360.513 GPRESSURE: 1395400 -246.493 18.9416 -16.3493 -29.8174 -149.403 -64.4418 51.4613 96.6967 -365.886 PRESSAVG: 1395400 -5.36912 -25.4629 -22.3513 -25.4629 1.56877 29.5757 -22.3513 29.5757 50.9303 GPRESSAVG: 1395400 -5.7698 -26.4018 -19.4128 -25.8588 2.40978 28.1141 -24.9008 29.8577 49.949 TIMING: 1395400 CPU: 4149.07, 0.00298207/step Wall: 4149.07, 0.00298207/step, 2.98588 hours remaining, 204.917969 MB of memory in use. ENERGY: 1395400 717.6799 2084.3029 1970.8350 117.2362 -205462.2566 17362.7646 0.0000 0.0000 34344.4490 -148864.9890 299.9386 -183209.4380 -148764.7145 300.3470 -285.7957 -253.9274 559797.6667 15.7100 15.5297 PRESSURE: 1395600 -180.862 130.31 -70.6278 130.311 -64.2747 -93.6515 -70.6274 -93.6511 0.0704654 GPRESSURE: 1395600 -167.276 133.163 -11.6862 124.437 -9.07104 -31.435 -54.803 -106.197 16.4655 PRESSAVG: 1395600 56.3559 -2.82569 -19.4739 -2.8257 37.1964 3.20226 -19.474 3.20227 -62.1837 GPRESSAVG: 1395600 54.5724 -1.13483 -20.0459 -5.52771 37.1731 3.84807 -17.8148 2.67368 -60.4683 TIMING: 1395600 CPU: 4149.66, 0.00295489/step Wall: 4149.66, 0.00295489/step, 2.9585 hours remaining, 204.917969 MB of memory in use. ENERGY: 1395600 773.2687 2077.7453 1953.3571 120.3301 -205879.5727 17770.1458 0.0000 0.0000 34298.6880 -148886.0377 299.5390 -183184.7258 -148784.1063 299.9826 -81.6886 -53.2937 558178.3071 10.4562 10.4257 PRESSURE: 1395800 163.549 179.974 0.921644 179.974 68.4463 -94.8515 0.922722 -94.851 -4.67974 GPRESSURE: 1395800 180.325 123.991 37.8675 139.466 121.194 -54.2608 -60.5506 -85.4137 20.027 PRESSAVG: 1395800 18.183 4.03449 -10.8569 4.03444 20.1931 67.1349 -10.8569 67.1349 -7.76618 GPRESSAVG: 1395800 19.1894 5.3278 -11.6913 3.03446 20.4173 68.9634 -9.22028 66.6821 -9.2553 TIMING: 1395800 CPU: 4150.25, 0.00295238/step Wall: 4150.25, 0.00295238/step, 2.95583 hours remaining, 204.917969 MB of memory in use. ENERGY: 1395800 708.4478 2116.2687 1942.2993 117.3221 -206072.5865 17960.6191 0.0000 0.0000 34348.9141 -148878.7154 299.9776 -183227.6295 -148786.0492 300.5862 75.7718 107.1819 558504.6043 10.2033 10.1171 PRESSURE: 1396000 176.469 -42.2007 155.95 -42.1995 178.704 -89.8695 155.951 -89.8686 197.485 GPRESSURE: 1396000 184.908 -27.4078 82.0449 25.0451 193.681 8.95999 168.519 -97.322 273.178 PRESSAVG: 1396000 -13.1781 19.3331 -41.2014 19.3332 -1.37229 48.7168 -41.2014 48.7169 16.026 GPRESSAVG: 1396000 -13.4279 17.3273 -40.4798 21.3907 -1.60701 46.9082 -41.7808 50.9248 16.0296 TIMING: 1396000 CPU: 4150.85, 0.00299362/step Wall: 4150.85, 0.00299362/step, 2.99695 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: 1396000 723.4685 2062.3578 1951.9308 124.9657 -206205.0488 18021.1545 0.0000 0.0000 34355.1197 -148966.0517 300.0318 -183321.1714 -148870.4698 299.7025 184.2196 217.2556 556916.7093 0.4918 0.3316 PRESSURE: 1396200 -130.516 45.8067 117.03 45.806 -153.707 -115.322 117.032 -115.322 -554.38 GPRESSURE: 1396200 -139.709 27.2742 181.272 -35.4216 -144.998 -98.6989 80.9452 -131.021 -466.91 PRESSAVG: 1396200 57.1872 -20.1902 -2.94881 -20.1901 -52.3718 -33.5796 -2.94886 -33.5795 25.4147 GPRESSAVG: 1396200 57.5552 -18.6928 -3.1383 -20.017 -54.2112 -32.5145 -4.6874 -34.3448 26.3688 TIMING: 1396200 CPU: 4151.44, 0.00295491/step Wall: 4151.44, 0.00295491/step, 2.95803 hours remaining, 204.917969 MB of memory in use. ENERGY: 1396200 748.0658 2091.1091 1929.6528 94.2744 -205549.8780 17230.6259 0.0000 0.0000 34335.0494 -149121.1006 299.8565 -183456.1501 -149025.2281 299.5360 -279.5346 -250.5390 557542.2468 10.0767 9.9043 LDB: ============= START OF LOAD BALANCING ============== 4154.86 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4154.86 LDB: =============== DONE WITH MIGRATION ================ 4154.86 LDB: ============= START OF LOAD BALANCING ============== 4155.16 LDB: Largest compute 4847 load 0.027448 is 23.3% of average load 0.118048 LDB: Average compute 0.001716 is 1.5% of average load 0.118048 LDB: TIME 4155.16 LOAD: AVG 0.118048 MAX 0.198291 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 4155.16 LOAD: AVG 0.118048 MAX 0.198291 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: TIME 4155.16 LOAD: AVG 0.118048 MAX 0.198291 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: ============== END OF LOAD BALANCING =============== 4155.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4155.17 PRESSURE: 1396400 207.651 80.568 -121.216 80.5666 -205.248 32.8807 -121.217 32.8825 -148.032 GPRESSURE: 1396400 278.19 130.882 -123.645 85.1625 -175.195 62.4033 -42.1746 32.5349 -147.017 PRESSAVG: 1396400 62.8755 30.0735 47.1688 30.0735 -67.0527 -42.5724 47.1689 -42.5723 -49.0725 GPRESSAVG: 1396400 62.3702 29.1218 46.5741 30.2522 -65.672 -42.8275 48.9175 -43.6703 -49.7074 TIMING: 1396400 CPU: 4152.04, 0.00301055/step Wall: 4152.04, 0.00301055/step, 3.01356 hours remaining, 205.941406 MB of memory in use. ENERGY: 1396400 691.4334 2094.9157 1940.0526 95.8682 -206239.6635 17866.8186 0.0000 0.0000 34469.0034 -149081.5717 301.0264 -183550.5751 -148987.5897 300.4391 -48.5430 -14.6739 558766.6985 -17.7499 -17.6697 PRESSURE: 1396600 143.043 10.9555 83.2246 10.9563 -264.796 197.042 83.225 197.043 -196.086 GPRESSURE: 1396600 165.152 -37.2876 87.7176 93.0942 -252.231 244.838 52.9493 193.546 -141.172 PRESSAVG: 1396600 157.285 35.8731 52.6054 35.8732 -93.782 -32.2583 52.6055 -32.2583 -53.7254 GPRESSAVG: 1396600 156.871 37.6985 52.4639 34.861 -93.1899 -31.5984 53.2204 -33.2745 -53.9631 TIMING: 1396600 CPU: 4152.63, 0.00296436/step Wall: 4152.63, 0.00296436/step, 2.96716 hours remaining, 206.144531 MB of memory in use. ENERGY: 1396600 743.9563 2087.1765 1967.0649 102.5410 -205932.1309 17806.6443 0.0000 0.0000 34309.0273 -148915.7206 299.6293 -183224.7479 -148816.2447 299.9515 -105.9460 -76.0836 558986.0328 3.2591 3.2392 PRESSURE: 1396800 -134.92 43.0989 74.9592 43.1 -324.011 -147.163 74.9595 -147.163 -293.038 GPRESSURE: 1396800 -113.334 42.0172 20.3757 105.292 -287.397 -129.722 89.2402 -123.443 -251.36 PRESSAVG: 1396800 76.0709 60.7418 18.5359 60.7419 -51.4621 31.618 18.5359 31.618 -16.8248 GPRESSAVG: 1396800 77.0805 59.9481 17.2459 62.5886 -51.6624 29.5663 17.6501 33.4529 -17.6114 TIMING: 1396800 CPU: 4153.23, 0.00296984/step Wall: 4153.23, 0.00296984/step, 2.97248 hours remaining, 206.144531 MB of memory in use. ENERGY: 1396800 769.8134 2112.6909 1931.5249 120.3622 -205611.4258 17400.2413 0.0000 0.0000 34321.9322 -148954.8609 299.7420 -183276.7932 -148860.1892 300.0169 -250.6562 -217.3635 557637.8923 2.5947 2.6022 PRESSURE: 1397000 -89.478 53.9919 278.945 53.9913 66.2177 -79.6863 278.944 -79.6872 -163.981 GPRESSURE: 1397000 -35.1316 37.6181 262.414 115.434 68.0023 -128.697 299.619 -119.031 -121.165 PRESSAVG: 1397000 30.2237 59.5828 23.2049 59.5828 31.079 35.7407 23.2049 35.7407 -3.20848 GPRESSAVG: 1397000 29.9892 57.053 25.2194 57.6192 30.8693 36.6099 21.7079 35.4871 -2.44513 TIMING: 1397000 CPU: 4153.83, 0.00299941/step Wall: 4153.83, 0.00299941/step, 3.00191 hours remaining, 206.144531 MB of memory in use. ENERGY: 1397000 729.5463 2138.0483 1943.6491 109.1849 -205716.2033 17686.8660 0.0000 0.0000 34045.5111 -149063.3976 297.3279 -183108.9087 -148970.2233 299.5140 -62.4137 -29.4315 559508.6577 19.3648 19.4711 PRESSURE: 1397200 42.2399 15.4993 79.9045 15.4995 48.3841 -9.68849 79.905 -9.68852 -220.6 GPRESSURE: 1397200 104.633 24.603 64.6967 45.5951 105.89 58.1928 91.0212 -50.9349 -256.641 PRESSAVG: 1397200 -11.8326 -30.2353 56.9409 -30.2353 -3.35912 -15.7025 56.941 -15.7025 -5.21865 GPRESSAVG: 1397200 -12.9033 -28.3374 55.2818 -27.1773 -1.1631 -16.0863 58.6167 -16.1399 -6.33144 TIMING: 1397200 CPU: 4154.42, 0.00295932/step Wall: 4154.42, 0.00295932/step, 2.96162 hours remaining, 206.144531 MB of memory in use. ENERGY: 1397200 704.4260 2116.7013 1955.4552 117.5738 -205895.2911 17719.1682 0.0000 0.0000 34071.4635 -149210.5032 297.5546 -183281.9666 -149112.9882 298.4232 -43.3252 -15.3728 558156.4782 -6.8035 -6.7993 PRESSURE: 1397400 -44.0438 114.326 -15.5999 114.327 -121.526 -47.5025 -15.6004 -47.5029 5.24297 GPRESSURE: 1397400 -48.2046 118.358 61.6007 115.455 -106.558 -78.4948 52.9931 -48.4962 84.5911 PRESSAVG: 1397400 7.93392 -32.3577 50.2713 -32.3577 -9.59832 -25.2409 50.2713 -25.241 26.7652 GPRESSAVG: 1397400 10.0818 -32.6032 51.9162 -34.3317 -11.6328 -23.9144 47.6918 -26.2424 27.0814 TIMING: 1397400 CPU: 4155.02, 0.00300424/step Wall: 4155.02, 0.00300424/step, 3.00641 hours remaining, 206.144531 MB of memory in use. ENERGY: 1397400 771.0521 2030.5704 1954.8083 110.0022 -206125.5375 17700.4684 0.0000 0.0000 34206.3807 -149352.2555 298.7328 -183558.6362 -149254.6287 298.3160 -53.4424 -23.3904 557124.7333 8.3669 8.5101 PRESSURE: 1397600 29.7952 32.0579 14.7459 32.0578 10.1453 98.2568 14.7455 98.2576 -79.3464 GPRESSURE: 1397600 28.8084 30.2854 -38.6461 -25.0238 45.0664 50.322 84.8026 125.602 -26.0922 PRESSAVG: 1397600 -10.8132 6.42561 -5.38505 6.42563 -8.75418 -33.6546 -5.38506 -33.6545 11.8209 GPRESSAVG: 1397600 -12.0333 5.81847 -3.32495 5.90863 -8.72699 -34.7847 -5.16317 -32.4422 12.5605 TIMING: 1397600 CPU: 4155.62, 0.00299488/step Wall: 4155.62, 0.00299488/step, 2.99687 hours remaining, 206.144531 MB of memory in use. ENERGY: 1397600 748.7166 2089.5664 1941.4205 103.3176 -206337.4614 17965.5441 0.0000 0.0000 34241.5931 -149247.3030 299.0403 -183488.8961 -149153.2607 298.4900 -13.1353 15.9275 556778.1886 -2.5822 -2.7333 PRESSURE: 1397800 -229.132 -178.54 -91.7452 -178.539 -12.1712 127.947 -91.7457 127.946 -91.0467 GPRESSURE: 1397800 -204.195 -259.945 -162.886 -133.276 37.6601 159.748 -125.029 147.912 -71.0206 PRESSAVG: 1397800 17.2512 -48.3694 12.8976 -48.3693 -4.05277 39.5721 12.8977 39.572 -30.0201 GPRESSAVG: 1397800 16.49 -46.5478 10.3603 -47.1322 -3.10832 40.7474 12.2122 38.2065 -30.2932 TIMING: 1397800 CPU: 4156.22, 0.00301635/step Wall: 4156.22, 0.00301635/step, 3.01819 hours remaining, 206.144531 MB of memory in use. ENERGY: 1397800 755.4975 2065.8170 1950.2910 117.2242 -206262.7694 17803.9158 0.0000 0.0000 34239.6893 -149330.3347 299.0237 -183570.0239 -149231.1428 299.0481 -110.7832 -79.1851 559188.4354 -5.6072 -5.6372 PRESSURE: 1398000 108.477 -3.34486 -32.1509 -3.34565 187.593 43.4092 -32.1515 43.4089 85.9331 GPRESSURE: 1398000 151.179 15.618 -58.7186 0.0401692 222.779 74.6735 29.164 16.5921 107.061 PRESSAVG: 1398000 53.1147 10.2823 -0.428631 10.2823 -7.97834 6.52649 -0.428617 6.52646 -8.30405 GPRESSAVG: 1398000 53.6783 8.26021 -0.146294 8.94801 -7.97545 4.27572 -0.417918 8.28333 -9.12528 TIMING: 1398000 CPU: 4156.82, 0.00301659/step Wall: 4156.82, 0.00301659/step, 3.01827 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: 1398000 762.2610 2093.3115 1925.7103 114.4846 -206467.1694 18016.0347 0.0000 0.0000 34332.0466 -149223.3207 299.8303 -183555.3673 -149129.5320 299.1152 127.3342 160.3398 557247.7024 12.2774 12.1925 PRESSURE: 1398200 44.2009 -166.967 93.3323 -166.966 -59.423 24.5485 93.3333 24.5477 -79.7918 GPRESSURE: 1398200 53.1963 -156.513 142.465 -211.816 -22.7419 121.641 97.7737 -41.935 -35.9071 PRESSAVG: 1398200 17.8182 -59.7158 3.46656 -59.7159 -41.8447 -13.1329 3.46642 -13.1329 8.0457 GPRESSAVG: 1398200 18.6134 -60.4647 1.68332 -58.7325 -42.0242 -11.5326 7.38172 -13.65 7.71918 TIMING: 1398200 CPU: 4157.42, 0.00299119/step Wall: 4157.42, 0.00299119/step, 2.99269 hours remaining, 206.144531 MB of memory in use. ENERGY: 1398200 773.3506 1995.0601 1950.9415 127.5275 -206062.2977 17717.8048 0.0000 0.0000 34254.9001 -149242.7131 299.1566 -183497.6131 -149137.5013 298.8844 -31.6713 -1.8176 556914.1336 -5.3269 -5.2305 PRESSURE: 1398400 -211.75 -111.475 -107.565 -111.476 -359.867 -86.0298 -107.565 -86.0287 -68.1626 GPRESSURE: 1398400 -188.84 -117.929 37.2123 -69.9257 -337.663 -66.3092 -226.655 30.0321 -17.118 PRESSAVG: 1398400 29.7589 -44.9913 -65.3683 -44.9912 -4.51726 -36.4566 -65.3683 -36.4566 -39.1498 GPRESSAVG: 1398400 28.4431 -44.4645 -62.7045 -45.2417 -2.61884 -37.215 -68.086 -37.1535 -39.1307 TIMING: 1398400 CPU: 4158.02, 0.00299008/step Wall: 4158.02, 0.00299008/step, 2.99141 hours remaining, 206.144531 MB of memory in use. ENERGY: 1398400 737.1058 2036.5581 1911.7712 112.2578 -206008.7528 17617.3948 0.0000 0.0000 34369.7366 -149223.9284 300.1595 -183593.6650 -149128.9507 299.3215 -213.2598 -181.2072 557378.5696 -4.6361 -4.4355 PRESSURE: 1398600 -235.299 90.9575 -21.8387 90.9595 12.5675 138.671 -21.8387 138.67 -329.299 GPRESSURE: 1398600 -218.783 106.129 -53.3523 77.7501 31.2155 159.836 -15.5939 158.208 -268.693 PRESSAVG: 1398600 -19.772 59.4903 -29.395 59.4903 6.52732 13.2129 -29.395 13.2129 -11.8882 GPRESSAVG: 1398600 -20.0577 59.4856 -28.9223 59.9591 5.88094 14.553 -29.362 14.0028 -10.9177 TIMING: 1398600 CPU: 4158.62, 0.00300318/step Wall: 4158.62, 0.00300318/step, 3.00435 hours remaining, 206.144531 MB of memory in use. ENERGY: 1398600 743.6613 2108.3798 1989.0414 106.6495 -206130.9709 17734.7410 0.0000 0.0000 34156.3030 -149292.1949 298.2955 -183448.4980 -149198.4223 298.9371 -184.0102 -152.0869 559201.7986 -8.3776 -8.3648 PRESSURE: 1398800 -146.888 18.4584 -230.964 18.4583 -105.2 -164.742 -230.963 -164.741 167.752 GPRESSURE: 1398800 -103.279 -87.4999 -171.215 106.269 -66.1513 -45.708 -262.155 -304.774 180.125 PRESSAVG: 1398800 -71.4712 55.4569 -15.0976 55.457 13.2392 26.5714 -15.0977 26.5713 15.7262 GPRESSAVG: 1398800 -70.5154 55.5206 -16.7661 55.9617 12.0394 24.084 -14.0391 25.2332 16.1304 TIMING: 1398800 CPU: 4159.23, 0.00302609/step Wall: 4159.23, 0.00302609/step, 3.0271 hours remaining, 206.144531 MB of memory in use. ENERGY: 1398800 754.0209 2058.4056 1951.7394 116.0598 -206042.8343 17697.6444 0.0000 0.0000 34142.1773 -149322.7869 298.1721 -183464.9642 -149220.4700 299.6014 -28.1121 3.5647 556664.4086 -14.1686 -14.1152 PRESSURE: 1399000 221.685 67.9987 -26.2692 67.9988 -72.3724 115.971 -26.2695 115.97 -89.9299 GPRESSURE: 1399000 219.177 80.9119 27.4242 77.9979 -14.5094 98.4797 9.32136 127.308 -55.0985 PRESSAVG: 1399000 -5.17131 -5.905 -4.7869 -5.90493 -27.0773 24.7386 -4.78695 24.7387 31.7409 GPRESSAVG: 1399000 -4.28013 -4.25588 -6.5405 -7.33453 -29.0614 26.9554 -3.66124 24.7403 32.6876 TIMING: 1399000 CPU: 4159.82, 0.00299296/step Wall: 4159.82, 0.00299296/step, 2.99379 hours remaining, 206.144531 MB of memory in use. ENERGY: 1399000 729.7597 2131.9113 1976.2523 114.4664 -206269.2013 17882.5952 0.0000 0.0000 34221.7357 -149212.4807 298.8669 -183434.2164 -149106.8528 298.8888 19.7944 49.8564 556658.3573 -0.1692 -0.2180 PRESSURE: 1399200 16.6797 -23.0968 76.0022 -23.0966 227.253 3.68148 76.0024 3.68119 53.0061 GPRESSURE: 1399200 109.977 -31.6054 95.8482 -1.72588 221.936 -1.5414 38.4546 45.0863 65.7438 PRESSAVG: 1399200 37.5536 6.67251 43.7918 6.67247 -69.5495 8.61778 43.7917 8.61785 56.4933 GPRESSAVG: 1399200 36.4123 5.61424 45.8612 7.93488 -67.9968 6.9493 42.0936 10.574 56.3126 TIMING: 1399200 CPU: 4160.43, 0.00300162/step Wall: 4160.43, 0.00300162/step, 3.00228 hours remaining, 206.144531 MB of memory in use. ENERGY: 1399200 760.9497 2089.5695 1955.1893 112.5919 -206375.3355 17809.4772 0.0000 0.0000 34250.4389 -149397.1190 299.1176 -183647.5579 -149303.0723 299.1195 98.9797 132.5522 555405.6833 8.1658 8.2427 PRESSURE: 1399400 -16.7085 116.76 143.885 116.762 107.472 -77.2011 143.886 -77.2008 306.964 GPRESSURE: 1399400 42.3634 79.0112 141.387 78.0606 123.169 -79.1498 124.233 -121.795 333.559 PRESSAVG: 1399400 -23.5115 6.41437 -8.28229 6.41432 11.6577 -26.1419 -8.28227 -26.1419 -34.0733 GPRESSAVG: 1399400 -22.8039 7.33108 -9.01818 5.77863 12.5011 -25.6507 -6.59716 -24.3246 -35.1141 TIMING: 1399400 CPU: 4161.02, 0.00298824/step Wall: 4161.02, 0.00298824/step, 2.98874 hours remaining, 206.144531 MB of memory in use. ENERGY: 1399400 728.5798 2078.1457 1957.6586 119.0339 -206302.6285 18008.0505 0.0000 0.0000 34177.4764 -149233.6835 298.4804 -183411.1600 -149135.3093 298.9885 132.5758 166.3638 557155.1882 -15.3090 -15.1390 PRESSURE: 1399600 -378.162 26.237 81.6544 26.2383 -13.4183 79.9322 81.6539 79.9334 -272.264 GPRESSURE: 1399600 -357.078 -2.60455 95.0243 127.015 -0.359736 114.718 60.598 53.5822 -220.088 PRESSAVG: 1399600 7.92298 -28.8823 -13.3337 -28.8822 -21.0509 -68.8594 -13.3337 -68.8595 10.6537 GPRESSAVG: 1399600 7.98978 -29.0948 -12.977 -28.4163 -21.4035 -69.1984 -14.8804 -71.7542 10.6322 TIMING: 1399600 CPU: 4161.61, 0.00295933/step Wall: 4161.61, 0.00295933/step, 2.95966 hours remaining, 206.144531 MB of memory in use. ENERGY: 1399600 772.6917 2098.6599 1955.6143 118.9907 -205783.9703 17577.1626 0.0000 0.0000 33996.8937 -149263.9575 296.9033 -183260.8512 -149165.8846 298.9386 -221.2815 -192.5087 559580.0312 -0.8248 -0.9272 PRESSURE: 1399800 -11.9885 -99.1448 65.9806 -99.1435 -35.6816 -189.457 65.982 -189.458 -119.305 GPRESSURE: 1399800 0.139563 -161.007 35.913 -48.4156 59.8172 -96.1949 69.1731 -196.863 -140.447 PRESSAVG: 1399800 -10.7837 -42.8601 14.1024 -42.86 -19.2997 -26.0196 14.1024 -26.0195 13.3918 GPRESSAVG: 1399800 -10.281 -41.4529 13.5711 -42.8727 -19.9423 -25.9472 14.8033 -25.3488 13.7206 TIMING: 1399800 CPU: 4162.21, 0.0029756/step Wall: 4162.21, 0.0029756/step, 2.97576 hours remaining, 206.144531 MB of memory in use. ENERGY: 1399800 730.2428 2114.0068 1955.0333 110.7490 -205965.7835 17664.8477 0.0000 0.0000 34104.1276 -149286.7765 297.8398 -183390.9041 -149182.5912 298.8659 -55.6583 -26.8300 558144.5531 -5.5639 -5.5009 PRESSURE: 1400000 23.5019 -135.031 59.5926 -135.032 182.979 193.404 59.5929 193.403 -325.068 GPRESSURE: 1400000 99.9921 -197.381 21.7723 -144.494 170.626 170.252 61.5352 196.423 -288.378 PRESSAVG: 1400000 24.335 -60.1277 43.6492 -60.1277 -36.9462 -30.5689 43.6492 -30.5689 -30.5653 GPRESSAVG: 1400000 24.9013 -63.9144 43.6993 -58.9182 -37.1844 -31.0919 43.0049 -29.2331 -31.1324 TIMING: 1400000 CPU: 4162.8, 0.00295974/step Wall: 4162.8, 0.00295974/step, 2.95974 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: 1400000 761.1614 2063.3855 1956.6878 105.5803 -206020.3414 17797.3163 0.0000 0.0000 34231.1570 -149105.0531 298.9492 -183336.2101 -149010.6061 298.6936 -39.5291 -5.9200 557428.3706 -14.3922 -14.4719 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1400000 WRITING COORDINATES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1400200 -138.804 -167.887 119.722 -167.889 -196.557 -152.877 119.722 -152.876 -10.2711 GPRESSURE: 1400200 -130.999 -121.851 78.8335 -249.962 -119.167 -207.637 111.781 -84.2841 -12.8485 PRESSAVG: 1400200 -11.9636 8.00149 51.8669 8.00155 47.8974 -8.89658 51.8669 -8.8967 -36.3878 GPRESSAVG: 1400200 -13.2367 9.69213 52.1989 6.54092 49.0857 -8.20479 53.1805 -10.2652 -36.444 TIMING: 1400200 CPU: 4163.52, 0.00358172/step Wall: 4163.52, 0.00358172/step, 3.58152 hours remaining, 206.269531 MB of memory in use. ENERGY: 1400200 745.8297 2065.1997 1927.9053 116.5753 -205508.8775 17474.0330 0.0000 0.0000 34291.5679 -148887.7667 299.4768 -183179.3346 -148790.5498 299.0595 -115.2107 -87.6713 558834.0493 -0.1513 -0.1983 LDB: ============= START OF LOAD BALANCING ============== 4166.94 LDB: ============== END OF LOAD BALANCING =============== 4166.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4166.95 LDB: ============= START OF LOAD BALANCING ============== 4167.25 LDB: Largest compute 4847 load 0.030151 is 25.5% of average load 0.118029 LDB: Average compute 0.001712 is 1.5% of average load 0.118029 LDB: TIME 4167.25 LOAD: AVG 0.118029 MAX 0.197635 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 4167.25 LOAD: AVG 0.118029 MAX 0.197635 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.641 MB LDB: TIME 4167.25 LOAD: AVG 0.118029 MAX 0.197635 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4167.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4167.26 PRESSURE: 1400400 215.072 172.262 72.648 172.26 262.656 228.245 72.6486 228.246 -85.7393 GPRESSURE: 1400400 216.088 68.2829 36.3837 163.279 307.448 297.503 104.109 153.264 -45.0309 PRESSAVG: 1400400 16.8203 -45.466 28.8988 -45.466 25.7337 -45.7299 28.8989 -45.7298 -41.8398 GPRESSAVG: 1400400 17.9489 -45.5917 28.706 -45.7529 24.7795 -46.1532 27.5828 -46.6108 -41.4837 TIMING: 1400400 CPU: 4164.13, 0.00304258/step Wall: 4164.13, 0.00304258/step, 3.04224 hours remaining, 206.453125 MB of memory in use. ENERGY: 1400400 722.3181 2056.5849 1955.2258 105.2814 -206214.4710 18019.6795 0.0000 0.0000 34280.2718 -149075.1097 299.3781 -183355.3814 -148980.3946 299.5110 130.6629 159.5018 557157.1580 0.2381 0.4149 PRESSURE: 1400600 -168.848 162.074 -105.087 162.074 65.5691 -2.0805 -105.087 -2.08099 108.205 GPRESSURE: 1400600 -107.593 142.153 -68.4746 40.1982 84.0059 -38.2367 -119.573 79.1989 132.803 PRESSAVG: 1400600 -56.5356 -12.3301 16.0451 -12.33 33.5895 29.32 16.045 29.3201 23.2628 GPRESSAVG: 1400600 -56.7806 -13.9563 17.8861 -11.7323 34.4254 31.6795 15.814 31.6111 22.1484 TIMING: 1400600 CPU: 4164.72, 0.00295536/step Wall: 4164.72, 0.00295536/step, 2.95487 hours remaining, 206.453125 MB of memory in use. ENERGY: 1400600 753.1054 2069.7424 1928.6596 105.7877 -206164.0725 17931.9775 0.0000 0.0000 34309.4730 -149065.3269 299.6332 -183374.7999 -148963.6643 299.5261 1.6420 36.4053 558693.7269 0.1056 -0.0689 PRESSURE: 1400800 192.784 -79.1483 46.5249 -79.1488 400.831 -184.213 46.5241 -184.213 39.0834 GPRESSURE: 1400800 167.076 -168.978 52.6325 -41.2629 425.601 -132.817 28.298 -160.067 145.274 PRESSAVG: 1400800 -22.8022 -82.5623 16.7631 -82.5623 -2.46106 0.693841 16.7631 0.693866 34.4421 GPRESSAVG: 1400800 -23.7735 -81.236 15.4698 -82.5819 -2.54957 -0.155048 18.0978 0.283455 35.3422 TIMING: 1400800 CPU: 4165.31, 0.00294389/step Wall: 4165.31, 0.00294389/step, 2.94324 hours remaining, 206.453125 MB of memory in use. ENERGY: 1400800 749.7242 2062.9096 1963.4952 116.0716 -206274.8011 17915.3275 0.0000 0.0000 34246.6847 -149220.5882 299.0848 -183467.2729 -149125.9335 299.6054 210.8994 245.9835 555761.4035 3.0596 3.0064 PRESSURE: 1401000 -15.417 140.747 -56.7227 140.747 -3.56249 117.629 -56.7205 117.629 -26.1355 GPRESSURE: 1401000 39.2178 128.42 -52.1694 135.583 47.068 134.949 -75.3098 8.07732 -37.7611 PRESSAVG: 1401000 -15.1017 -22.9582 32.2893 -22.9581 22.8337 -40.9587 32.2893 -40.9588 -63.9718 GPRESSAVG: 1401000 -14.9812 -21.7007 31.7881 -23.28 22.5054 -42.1394 31.4257 -41.265 -63.974 TIMING: 1401000 CPU: 4165.89, 0.00293986/step Wall: 4165.89, 0.00293986/step, 2.93904 hours remaining, 206.453125 MB of memory in use. ENERGY: 1401000 728.5881 2065.3041 1948.5696 121.3962 -206026.5175 17795.8310 0.0000 0.0000 34279.8046 -149087.0239 299.3741 -183366.8285 -148986.1033 298.8754 -15.0383 16.1749 558079.8858 -18.7466 -18.8166 PRESSURE: 1401200 86.3004 -40.188 -17.321 -40.1882 272.229 -154.032 -17.3205 -154.034 -61.7914 GPRESSURE: 1401200 25.5228 -50.2801 -31.8229 -65.7653 310.165 -167.318 14.3325 -97.0636 59.1686 PRESSAVG: 1401200 -3.24984 19.4248 -6.61273 19.4248 -0.234807 -31.2571 -6.61265 -31.2571 27.3969 GPRESSAVG: 1401200 -3.89676 17.6514 -4.76955 21.9869 0.103854 -30.2876 -5.6417 -31.6672 27.8196 TIMING: 1401200 CPU: 4166.48, 0.00295251/step Wall: 4166.48, 0.00295251/step, 2.95152 hours remaining, 206.453125 MB of memory in use. ENERGY: 1401200 741.5429 2057.5831 1964.7747 106.7867 -206285.5899 18010.3594 0.0000 0.0000 34399.7629 -149004.7801 300.4217 -183404.5430 -148911.2326 299.4510 98.9126 131.6189 558502.3090 7.9708 8.0089 PRESSURE: 1401400 206.444 -66.6475 46.6539 -66.6473 286.647 184.576 46.6541 184.574 65.7217 GPRESSURE: 1401400 197.98 -140.926 37.9577 21.3864 288.947 57.911 -17.315 233.217 166.356 PRESSAVG: 1401400 24.1631 -13.8494 51.2963 -13.8494 6.50003 4.60705 51.2962 4.60708 -49.8684 GPRESSAVG: 1401400 25.3783 -11.7189 50.1247 -16.6349 5.27494 3.17622 49.5012 5.46064 -50.2033 TIMING: 1401400 CPU: 4167.07, 0.00294626/step Wall: 4167.07, 0.00294626/step, 2.94512 hours remaining, 206.453125 MB of memory in use. ENERGY: 1401400 702.7826 2119.4583 1990.3028 118.5537 -205900.8236 17856.3845 0.0000 0.0000 34116.9697 -148996.3721 297.9520 -183113.3418 -148900.8087 299.7869 186.2709 217.7606 557738.1082 -6.4017 -6.5167 PRESSURE: 1401600 106.768 -142.911 153.975 -142.91 10.7133 110.614 153.975 110.615 -214.553 GPRESSURE: 1401600 97.5487 -172.2 172.903 -46.6794 53.4989 67.2616 173.935 121.983 -150.397 PRESSAVG: 1401600 -5.5862 -19.9497 36.5115 -19.9497 7.33661 -54.6874 36.5114 -54.6874 10.5745 GPRESSAVG: 1401600 -6.48896 -19.5673 33.9371 -21.6001 7.66004 -54.2068 39.1463 -53.9125 10.8121 TIMING: 1401600 CPU: 4167.67, 0.00295587/step Wall: 4167.67, 0.00295587/step, 2.95456 hours remaining, 206.453125 MB of memory in use. ENERGY: 1401600 739.8779 2088.8328 1966.0233 112.1999 -205800.1235 17619.0556 0.0000 0.0000 34373.9622 -148900.1720 300.1964 -183274.1341 -148798.0291 300.2538 -32.3574 0.2170 558651.4897 4.1083 3.9944 PRESSURE: 1401800 -163.307 -55.3949 -145.511 -55.3944 -79.0628 -0.639381 -145.51 -0.639607 297.522 GPRESSURE: 1401800 -114.83 -49.5843 -166.249 -11.7363 -95.9283 5.51291 -121.366 -20.5505 365.665 PRESSAVG: 1401800 -15.28 -15.3998 -2.33263 -15.3998 55.4259 -19.3938 -2.33259 -19.3938 -32.0837 GPRESSAVG: 1401800 -15.3885 -18.5074 -0.103991 -12.4403 56.92 -19.8573 -4.27183 -19.8678 -32.8488 TIMING: 1401800 CPU: 4168.26, 0.00295763/step Wall: 4168.26, 0.00295763/step, 2.95615 hours remaining, 206.453125 MB of memory in use. ENERGY: 1401800 714.4934 2078.8198 1971.2789 123.8271 -205862.5825 17772.0860 0.0000 0.0000 34059.2270 -149142.8503 297.4477 -183202.0773 -149049.4194 298.8478 18.3841 51.6357 558012.0175 2.6874 2.8943 PRESSURE: 1402000 -168.568 -173.624 43.2469 -173.624 -221.128 29.6997 43.2476 29.7 -159.692 GPRESSURE: 1402000 -119.913 -92.0694 23.4192 -125.095 -162.978 79.0676 36.9342 -34.7197 -157.677 PRESSAVG: 1402000 -15.7505 -37.4196 -2.58326 -37.4197 -0.648386 -40.3185 -2.58337 -40.3186 58.1479 GPRESSAVG: 1402000 -14.975 -35.3944 -2.24478 -38.7681 -1.03841 -40.261 -2.03031 -40.7208 57.7017 TIMING: 1402000 CPU: 4168.85, 0.00294407/step Wall: 4168.85, 0.00294407/step, 2.94244 hours remaining, 206.453125 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: 1402000 712.1936 2071.1481 1950.6968 109.4878 -205761.4151 17548.5828 0.0000 0.0000 34508.4269 -148860.8791 301.3707 -183369.3061 -148755.4388 299.6241 -183.1292 -146.8561 559567.0047 13.9163 13.8961 PRESSURE: 1402200 -172.384 56.756 -107.348 56.7568 -151.201 -62.153 -107.348 -62.1529 -281.576 GPRESSURE: 1402200 -125.088 44.6078 -90.8115 63.9983 -119.23 -127.355 -50.423 -4.84142 -275.98 PRESSAVG: 1402200 58.7942 24.803 -24.2378 24.803 15.3131 -4.62542 -24.2379 -4.62538 -43.2065 GPRESSAVG: 1402200 58.9901 23.3135 -23.9013 26.925 14.949 -2.86868 -23.5715 -6.63346 -42.6208 TIMING: 1402200 CPU: 4169.43, 0.00294421/step Wall: 4169.43, 0.00294421/step, 2.94241 hours remaining, 206.453125 MB of memory in use. ENERGY: 1402200 792.5640 2119.2212 1950.8870 101.3976 -206291.5983 17735.2976 0.0000 0.0000 34408.4617 -149183.7691 300.4977 -183592.2309 -149092.3475 299.3871 -201.7200 -173.4328 559475.5633 10.3003 10.4394 PRESSURE: 1402400 -6.25273 25.1566 -92.0297 25.157 102.224 -109.036 -92.0296 -109.037 51.4958 GPRESSURE: 1402400 -39.8641 117.282 -189.992 -50.4108 176.973 -194.002 -33.9221 -5.1659 101.664 PRESSAVG: 1402400 41.2999 19.5487 -31.6519 19.5485 -13.5587 -40.7989 -31.6518 -40.7987 -17.7004 GPRESSAVG: 1402400 41.778 19.9702 -32.7099 17.5824 -13.252 -42.6969 -32.5743 -37.9077 -18.9232 TIMING: 1402400 CPU: 4170.02, 0.00294282/step Wall: 4170.02, 0.00294282/step, 2.94086 hours remaining, 206.453125 MB of memory in use. ENERGY: 1402400 740.6930 2078.3237 1958.1801 103.0612 -205934.1417 17846.1047 0.0000 0.0000 34032.4581 -149175.3208 297.2139 -183207.7789 -149078.2228 298.8022 49.1558 79.5909 558184.0338 3.3469 3.2009 PRESSURE: 1402600 59.4016 -12.7493 149.229 -12.7488 79.4579 16.4825 149.229 16.4811 -15.0799 GPRESSURE: 1402600 133.471 -16.2845 116.359 -73.6144 112.19 34.5956 184.781 0.050219 -25.5153 PRESSAVG: 1402600 18.2476 0.33162 -4.7582 0.331568 -42.1909 -38.0773 -4.75821 -38.0771 -10.0178 GPRESSAVG: 1402600 18.3044 3.16921 -3.95288 -0.692887 -42.4379 -38.1399 -2.77716 -36.6274 -10.1177 TIMING: 1402600 CPU: 4170.61, 0.00295335/step Wall: 4170.61, 0.00295335/step, 2.95122 hours remaining, 206.453125 MB of memory in use. ENERGY: 1402600 746.9769 2044.1870 1988.7839 102.9844 -206220.7672 17890.3171 0.0000 0.0000 34343.4285 -149104.0893 299.9297 -183447.5178 -149010.7702 298.4736 41.2599 73.3819 557296.1891 -11.3203 -11.4171 PRESSURE: 1402800 -38.9364 -59.0811 135.278 -59.0812 -135.801 176.535 135.276 176.534 -269.248 GPRESSURE: 1402800 -26.1195 -32.1783 88.871 -76.7099 -137.195 234.739 85.5689 121.844 -172.162 PRESSAVG: 1402800 -46.5712 5.20362 5.99925 5.20353 40.104 13.2473 5.99926 13.2472 -45.3179 GPRESSAVG: 1402800 -46.062 1.12495 7.6535 7.61393 39.1013 14.7508 2.88308 12.0894 -44.8565 TIMING: 1402800 CPU: 4171.2, 0.00295257/step Wall: 4171.2, 0.00295257/step, 2.95028 hours remaining, 206.453125 MB of memory in use. ENERGY: 1402800 710.2125 2144.1315 1918.4124 116.0141 -205785.7300 17500.2956 0.0000 0.0000 34265.4633 -149131.2007 299.2488 -183396.6640 -149025.2684 299.8848 -147.9952 -111.8254 558230.6775 -17.2617 -17.2724 PRESSURE: 1403000 38.276 -79.0356 85.6867 -79.0353 -339.165 17.5357 85.6868 17.5361 -20.1803 GPRESSURE: 1403000 116.815 -65.0356 84.9272 -121.518 -307.484 16.6178 91.6829 -46.4068 -36.6693 PRESSAVG: 1403000 46.3922 -7.2336 35.5479 -7.23361 14.0397 -25.9647 35.5478 -25.9646 -26.8491 GPRESSAVG: 1403000 46.7736 -3.98831 34.1744 -7.50379 13.9894 -26.4659 36.2936 -25.8989 -26.7624 TIMING: 1403000 CPU: 4171.79, 0.00294998/step Wall: 4171.79, 0.00294998/step, 2.94752 hours remaining, 206.453125 MB of memory in use. ENERGY: 1403000 709.9553 2080.5676 1949.8905 106.5311 -205454.1895 17456.8857 0.0000 0.0000 34178.1490 -148972.2103 298.4863 -183150.3593 -148872.7511 299.1210 -107.0231 -75.7794 558659.1477 11.1943 11.3335 PRESSURE: 1403200 -269.107 144.066 17.9794 144.065 -193.056 -19.3866 17.98 -19.3874 -171.946 GPRESSURE: 1403200 -298.128 59.2497 82.4068 91.4143 -134.742 -97.437 19.6252 -8.45362 -110.978 PRESSAVG: 1403200 -84.1792 -43.0946 34.7818 -43.0947 71.0052 49.4363 34.7818 49.4364 -30.5073 GPRESSAVG: 1403200 -86.0154 -44.0646 37.1326 -46.1672 71.6693 49.1309 32.7176 49.9714 -30.0752 TIMING: 1403200 CPU: 4172.39, 0.00297794/step Wall: 4172.39, 0.00297794/step, 2.97529 hours remaining, 206.453125 MB of memory in use. ENERGY: 1403200 758.7050 2106.1052 1924.1134 112.5740 -205824.2340 17489.0708 0.0000 0.0000 34430.6956 -149002.9700 300.6918 -183433.6656 -148906.0480 299.0419 -211.3699 -181.2826 558900.3290 -14.5604 -14.8071 PRESSURE: 1403400 34.3193 -98.5036 91.9982 -98.5041 41.5512 -151.431 91.9979 -151.43 -189.577 GPRESSURE: 1403400 51.8492 -115.415 75.8179 -98.2967 47.4538 -189.873 134.999 -166.875 -118.397 PRESSAVG: 1403400 40.8315 -26.4044 -26.7015 -26.4043 23.05 -24.4762 -26.7015 -24.4762 -27.5726 GPRESSAVG: 1403400 42.1817 -27.4604 -29.2174 -24.2612 23.1407 -22.2472 -26.4906 -26.4084 -28.7835 TIMING: 1403400 CPU: 4172.98, 0.00295858/step Wall: 4172.98, 0.00295858/step, 2.95578 hours remaining, 206.453125 MB of memory in use. ENERGY: 1403400 730.2160 2045.2719 1975.7690 119.3183 -205629.6193 17482.8820 0.0000 0.0000 34328.8429 -148947.3190 299.8023 -183276.1619 -148842.2771 299.7332 -37.9022 -6.3646 558937.5800 12.1030 12.1796 PRESSURE: 1403600 -22.9609 -75.8478 -4.77125 -75.8477 -128.035 -24.6236 -4.77078 -24.6233 -221.045 GPRESSURE: 1403600 -48.1427 -90.2774 -11.3095 -49.3978 -26.9685 -3.24545 6.49358 -50.3722 -203.756 PRESSAVG: 1403600 -57.8332 -14.1728 -18.2981 -14.1729 52.1788 4.97743 -18.2981 4.97747 -22.01 GPRESSAVG: 1403600 -57.96 -12.0655 -17.2377 -13.0169 52.9591 2.45001 -17.7481 4.99914 -22.8942 TIMING: 1403600 CPU: 4173.57, 0.00295143/step Wall: 4173.57, 0.00295143/step, 2.94848 hours remaining, 206.453125 MB of memory in use. ENERGY: 1403600 743.4431 2107.2001 1960.2872 109.6460 -205794.1444 17638.8013 0.0000 0.0000 34483.9211 -148750.8456 301.1567 -183234.7667 -148657.1862 299.4601 -124.0138 -92.9558 557931.1277 -9.2215 -9.2984 PRESSURE: 1403800 -117.492 143.992 -44.5794 143.993 -31.9293 -150.993 -44.5805 -150.993 -9.37592 GPRESSURE: 1403800 -80.2241 129.541 56.9245 176.756 -19.4525 -142.216 -81.0946 -174.754 36.9219 PRESSAVG: 1403800 13.3625 -2.57068 -49.9024 -2.57072 -9.07989 -13.4362 -49.9025 -13.4362 5.38756 GPRESSAVG: 1403800 12.657 -2.8398 -52.4809 -3.54961 -10.1712 -12.2148 -49.8149 -13.1918 7.46184 TIMING: 1403800 CPU: 4174.17, 0.00297642/step Wall: 4174.17, 0.00297642/step, 2.97327 hours remaining, 206.453125 MB of memory in use. ENERGY: 1403800 793.4487 2146.8439 1960.8505 122.2037 -206275.8769 17923.4960 0.0000 0.0000 34374.2128 -148954.8214 300.1986 -183329.0343 -148868.0699 300.2092 -52.9326 -20.9182 558446.8158 3.2234 3.3159 PRESSURE: 1404000 -176.341 86.3653 144.616 86.3639 7.10926 -106.989 144.614 -106.989 -92.2544 GPRESSURE: 1404000 -144.263 26.2174 78.4474 84.0296 -17.39 -129.584 187.782 -72.7808 -10.1437 PRESSAVG: 1404000 -72.6146 23.4499 -11.6884 23.4499 45.3836 -16.5298 -11.6886 -16.5299 50.9975 GPRESSAVG: 1404000 -71.6833 23.2259 -10.4157 23.4587 44.0588 -17.173 -10.6309 -15.5722 50.9861 TIMING: 1404000 CPU: 4174.76, 0.00294727/step Wall: 4174.76, 0.00294727/step, 2.94399 hours remaining, 206.453125 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: 1404000 768.0079 2142.8367 1949.6748 126.0111 -205696.8507 17636.4812 0.0000 0.0000 34145.6258 -148928.2132 298.2022 -183073.8390 -148835.9474 300.1802 -87.1620 -57.2656 558317.2045 7.9222 7.7872 PRESSURE: 1404200 131.68 84.1048 -147.915 84.1042 -329.772 -66.9747 -147.914 -66.9753 -11.2822 GPRESSURE: 1404200 152.933 96.6792 -144.102 54.6048 -274.585 17.2432 -145.71 -16.7043 2.2984 PRESSAVG: 1404200 -32.9304 12.1832 -8.36102 12.1831 15.2125 -11.2654 -8.36099 -11.2654 22.3886 GPRESSAVG: 1404200 -32.0705 11.2889 -8.54143 12.5112 15.1814 -10.6586 -9.89588 -12.3201 21.6659 TIMING: 1404200 CPU: 4175.35, 0.00295572/step Wall: 4175.35, 0.00295572/step, 2.95227 hours remaining, 206.453125 MB of memory in use. ENERGY: 1404200 767.6277 2091.8745 1953.9754 102.3429 -206151.8458 17780.8940 0.0000 0.0000 34439.4955 -149015.6358 300.7687 -183455.1314 -148919.6390 299.7229 -69.7914 -39.7846 557528.7414 1.5569 1.5923 LDB: ============= START OF LOAD BALANCING ============== 4178.77 LDB: ============== END OF LOAD BALANCING =============== 4178.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4178.77 LDB: ============= START OF LOAD BALANCING ============== 4179.07 LDB: Largest compute 4847 load 0.028144 is 23.8% of average load 0.118062 LDB: Average compute 0.001717 is 1.5% of average load 0.118062 LDB: TIME 4179.07 LOAD: AVG 0.118062 MAX 0.199709 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.918 MB LDB: TIME 4179.07 LOAD: AVG 0.118062 MAX 0.199709 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 4179.07 LOAD: AVG 0.118062 MAX 0.199709 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: ============== END OF LOAD BALANCING =============== 4179.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4179.08 PRESSURE: 1404400 92.9796 -34.1721 -15.5972 -34.172 -122.335 -4.66557 -15.5966 -4.66617 -256.934 GPRESSURE: 1404400 79.6373 58.7255 -48.1129 -141.059 -37.981 45.8281 26.5751 40.715 -221.073 PRESSAVG: 1404400 8.26824 -26.0333 23.9854 -26.0333 38.9635 21.6637 23.9853 21.6637 -27.7022 GPRESSAVG: 1404400 6.48698 -24.3561 25.4151 -26.2804 40.027 20.6408 23.1746 22.716 -27.3498 TIMING: 1404400 CPU: 4175.95, 0.00299749/step Wall: 4175.95, 0.00299749/step, 2.99383 hours remaining, 207.222656 MB of memory in use. ENERGY: 1404400 788.9263 2087.1270 1988.4699 118.4729 -206260.3993 17875.9328 0.0000 0.0000 34206.7588 -149194.7117 298.7361 -183401.4704 -149088.8064 299.8841 -95.4296 -59.8055 557800.0762 6.5098 6.3881 PRESSURE: 1404600 -386.294 -58.3102 -62.1649 -58.3109 213.755 94.8025 -62.1652 94.8028 -192.399 GPRESSURE: 1404600 -350.814 -12.706 -62.6221 -63.5679 211.214 141.307 -41.6005 98.665 -131.291 PRESSAVG: 1404600 34.6816 -0.053861 62.6555 -0.0538689 -8.32293 0.931995 62.6554 0.932066 -8.34877 GPRESSAVG: 1404600 35.081 -0.323046 61.6595 -0.169096 -9.24554 0.698077 64.3414 -0.22574 -8.145 TIMING: 1404600 CPU: 4176.54, 0.00296928/step Wall: 4176.54, 0.00296928/step, 2.96548 hours remaining, 207.425781 MB of memory in use. ENERGY: 1404600 744.5149 2116.9129 1972.1170 113.3019 -206421.6980 17796.1039 0.0000 0.0000 34349.5091 -149329.2384 299.9828 -183678.7474 -149231.8886 299.5398 -121.6460 -90.2969 558454.7501 6.0033 5.8968 PRESSURE: 1404800 292.098 25.6884 99.8443 25.6883 142.469 29.8105 99.8427 29.8106 247.06 GPRESSURE: 1404800 335.369 38.7522 153.436 25.1727 165.644 35.1248 85.8917 -6.29785 279.79 PRESSAVG: 1404800 0.326424 19.0263 44.6763 19.0263 -27.5566 18.5446 44.6762 18.5447 13.8966 GPRESSAVG: 1404800 1.05022 18.6634 43.7595 17.136 -27.6501 18.2212 45.8579 19.7472 12.9638 TIMING: 1404800 CPU: 4177.14, 0.00297794/step Wall: 4177.14, 0.00297794/step, 2.97397 hours remaining, 207.425781 MB of memory in use. ENERGY: 1404800 737.3881 2074.0077 1967.6104 109.5259 -206605.9262 18204.1976 0.0000 0.0000 34188.0241 -149325.1724 298.5725 -183513.1966 -149230.0231 298.9034 227.2090 260.2678 556929.4485 -4.4445 -4.5454 PRESSURE: 1405000 -210.948 -67.9117 220.916 -67.9108 86.9347 -155.874 220.917 -155.873 -219.275 GPRESSURE: 1405000 -194.904 -44.5565 180.222 -76.368 136.104 -85.4571 255.238 -205.561 -189.794 PRESSAVG: 1405000 23.662 -9.7873 28.4801 -9.7873 -52.6757 -47.9261 28.4802 -47.9262 55.32 GPRESSAVG: 1405000 23.6681 -10.1813 29.7046 -8.56757 -53.65 -47.9401 29.4113 -47.0329 55.8619 TIMING: 1405000 CPU: 4177.74, 0.00299818/step Wall: 4177.74, 0.00299818/step, 2.99402 hours remaining, 207.425781 MB of memory in use. ENERGY: 1405000 740.6374 2067.1947 1969.1537 100.8038 -206005.7485 17716.7499 0.0000 0.0000 34413.0793 -148998.1296 300.5380 -183411.2090 -148896.0403 299.2905 -114.4295 -82.8646 559806.2521 8.7688 8.6267 PRESSURE: 1405200 0.154166 66.24 125.092 66.2409 213.703 136.079 125.092 136.079 236.121 GPRESSURE: 1405200 75.0272 105.285 102.412 95.1239 238.308 106.467 134.885 161.052 239.374 PRESSAVG: 1405200 -10.0479 -16.9574 31.0161 -16.9574 15.7473 -41.7191 31.0162 -41.7191 35.3913 GPRESSAVG: 1405200 -11.2529 -16.5904 30.9695 -18.8649 18.4547 -41.9618 30.8125 -42.3084 34.2377 TIMING: 1405200 CPU: 4178.33, 0.00297172/step Wall: 4178.33, 0.00297172/step, 2.96743 hours remaining, 207.425781 MB of memory in use. ENERGY: 1405200 745.1209 2136.1587 1943.2465 108.2843 -206321.3696 18120.9120 0.0000 0.0000 34270.7030 -148996.9441 299.2946 -183267.6471 -148907.6779 298.7601 149.9926 184.2362 557161.6950 13.6969 13.8132 PRESSURE: 1405400 126.216 -43.6457 120.134 -43.6461 24.8447 -168.086 120.135 -168.086 16.3199 GPRESSURE: 1405400 174.222 -148.324 210.197 -6.2192 83.4023 -167.789 84.3097 -170.507 14.8379 PRESSAVG: 1405400 -76.7418 -37.3098 -1.52225 -37.3098 13.0022 3.78104 -1.5223 3.78098 62.134 GPRESSAVG: 1405400 -75.2307 -39.4863 -0.62478 -34.8516 11.6347 4.93978 -4.83029 2.40046 62.0942 TIMING: 1405400 CPU: 4178.93, 0.00297716/step Wall: 4178.93, 0.00297716/step, 2.97269 hours remaining, 207.425781 MB of memory in use. ENERGY: 1405400 716.3506 2018.9536 1970.5735 103.0260 -206221.9191 17935.7159 0.0000 0.0000 34471.8485 -149005.4511 301.0512 -183477.2996 -148905.0511 300.0752 55.7935 90.8206 558040.0534 -0.5352 -0.5006 PRESSURE: 1405600 69.9169 -219.337 -27.4021 -219.336 -213.058 177.605 -27.4 177.604 104.126 GPRESSURE: 1405600 96.6213 -286.257 -34.9999 -158.974 -222.969 168.816 -78.7237 184.066 192.087 PRESSAVG: 1405600 10.0358 -53.5827 27.5856 -53.5826 1.22314 -14.3281 27.5856 -14.3281 1.6343 GPRESSAVG: 1405600 9.78411 -48.6942 26.0396 -56.8783 0.807817 -16.1747 30.5014 -13.2236 1.89827 TIMING: 1405600 CPU: 4179.52, 0.00296521/step Wall: 4179.52, 0.00296521/step, 2.9606 hours remaining, 207.425781 MB of memory in use. ENERGY: 1405600 745.9592 2150.7206 1948.7379 111.5850 -206149.6149 17841.5027 0.0000 0.0000 34466.7040 -148884.4056 301.0063 -183351.1095 -148786.9933 299.8511 -13.0051 21.9131 558439.8955 4.2978 4.1634 PRESSURE: 1405800 -231.755 292.622 190.435 292.622 66.5494 39.215 190.434 39.2153 26.0137 GPRESSURE: 1405800 -214.691 271.65 148.26 246.549 101.533 -13.9454 212.661 32.1628 47.6668 PRESSAVG: 1405800 21.9932 -41.7238 -56.4207 -41.7237 6.01778 7.0204 -56.4208 7.02036 -24.3805 GPRESSAVG: 1405800 20.7619 -46.7332 -57.0538 -38.7441 7.70814 8.78992 -55.9073 6.63829 -25.2156 TIMING: 1405800 CPU: 4180.11, 0.00296073/step Wall: 4180.11, 0.00296073/step, 2.95596 hours remaining, 207.425781 MB of memory in use. ENERGY: 1405800 742.3971 2116.2240 1972.0265 108.6968 -205911.4459 17751.7376 0.0000 0.0000 34188.1285 -149032.2355 298.5734 -183220.3640 -148937.2885 300.0277 -46.3972 -21.8305 557496.9398 1.2102 1.0848 PRESSURE: 1406000 -122.162 -62.6554 -41.2962 -62.6546 72.8944 -52.4685 -41.2963 -52.468 67.2195 GPRESSURE: 1406000 -52.5628 -1.38964 -11.297 -109.7 52.3 -37.6795 -49.1074 16.6829 112.226 PRESSAVG: 1406000 -100.014 -44.5147 36.2688 -44.5148 -15.1393 -14.0024 36.269 -14.0023 64.3879 GPRESSAVG: 1406000 -98.9996 -41.8418 37.7791 -46.5602 -16.7083 -18.1571 34.621 -9.90731 64.4694 TIMING: 1406000 CPU: 4180.7, 0.00294881/step Wall: 4180.7, 0.00294881/step, 2.9439 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: 1406000 725.4428 2086.9941 1964.9001 111.8206 -206286.6261 17847.0995 0.0000 0.0000 34381.3843 -149168.9847 300.2612 -183550.3689 -149078.1359 299.5007 5.9840 37.3212 557785.0717 -16.9217 -17.0795 PRESSURE: 1406200 52.2462 -28.608 94.0387 -28.6072 189.022 73.8703 94.0404 73.8723 -29.702 GPRESSURE: 1406200 86.8517 14.5317 146.627 -85.133 238.895 43.8585 84.6903 114.697 -15.4937 PRESSAVG: 1406200 -118.507 3.22898 -0.659306 3.22898 65.972 -16.0165 -0.659222 -16.0165 57.1726 GPRESSAVG: 1406200 -119.667 2.28394 -0.183976 3.81895 65.8548 -13.737 0.0740763 -19.3787 57.9174 TIMING: 1406200 CPU: 4181.29, 0.00296453/step Wall: 4181.29, 0.00296453/step, 2.95943 hours remaining, 207.425781 MB of memory in use. ENERGY: 1406200 755.8419 2163.7877 1960.3486 109.7370 -206708.6821 18143.5926 0.0000 0.0000 34151.8965 -149423.4778 298.2570 -183575.3743 -149331.6920 298.8067 70.5219 103.4176 557030.2183 1.5458 1.3685 PRESSURE: 1406400 -57.8958 31.7566 -79.6961 31.7556 -188.157 -142.51 -79.6955 -142.509 -296.102 GPRESSURE: 1406400 -29.4388 71.7468 -117.31 -8.11252 -147.049 -91.0029 17.3582 -116.805 -270.71 PRESSAVG: 1406400 -32.3763 -11.557 10.5839 -11.5571 -23.5618 -32.6593 10.5839 -32.6592 60.1059 GPRESSAVG: 1406400 -32.18 -11.921 11.9184 -10.5648 -23.7943 -30.1191 9.58112 -34.5394 60.2129 TIMING: 1406400 CPU: 4181.89, 0.002966/step Wall: 4181.89, 0.002966/step, 2.96072 hours remaining, 207.425781 MB of memory in use. ENERGY: 1406400 734.9701 2064.4574 1985.9467 111.1378 -205967.8093 17553.8004 0.0000 0.0000 34197.6206 -149319.8763 298.6563 -183517.4969 -149231.9718 299.0285 -180.7185 -149.0660 558026.1775 1.3893 1.4129 PRESSURE: 1406600 -81.8727 1.71397 -28.062 1.71555 -149.192 213.137 -28.0619 213.138 -24.6114 GPRESSURE: 1406600 34.1714 -56.5575 66.1723 39.813 -105.185 290.695 -13.9746 172.732 -89.8998 PRESSAVG: 1406600 13.6961 -35.0243 17.6709 -35.0243 -12.9759 16.9461 17.6709 16.9461 0.185927 GPRESSAVG: 1406600 12.5436 -34.3967 15.5931 -35.3214 -11.0789 14.9952 19.5668 19.2085 -0.644605 TIMING: 1406600 CPU: 4182.48, 0.00295134/step Wall: 4182.48, 0.00295134/step, 2.94592 hours remaining, 207.425781 MB of memory in use. ENERGY: 1406600 761.3521 2086.0186 1941.8706 122.8961 -206468.9404 17828.8156 0.0000 0.0000 34351.1673 -149376.8201 299.9973 -183727.9874 -149276.7361 298.6007 -85.2253 -53.6378 558325.2489 0.3020 0.2734 PRESSURE: 1406800 -61.3972 -11.8609 -141.066 -11.8606 -279.565 78.4094 -141.066 78.4093 -415.144 GPRESSURE: 1406800 -77.232 63.5152 -122.102 -60.6666 -224.918 -27.0533 -161.273 56.4584 -347.686 PRESSAVG: 1406800 20.7883 -40.9965 -1.22572 -40.9964 -25.9299 -12.6413 -1.22587 -12.6414 2.88763 GPRESSAVG: 1406800 21.7063 -40.8996 -0.700468 -41.6168 -27.462 -11.7428 -1.96381 -13.9745 3.43664 TIMING: 1406800 CPU: 4183.07, 0.00295959/step Wall: 4183.07, 0.00295959/step, 2.954 hours remaining, 207.425781 MB of memory in use. ENERGY: 1406800 748.5578 2044.8617 1923.5816 104.0431 -206026.2401 17631.9367 0.0000 0.0000 34163.0465 -149410.2127 298.3544 -183573.2592 -149314.4507 299.4424 -252.0356 -216.6118 557938.7656 -0.7513 -0.7730 PRESSURE: 1407000 307.545 -73.9437 285.831 -73.9446 99.2976 -90.8614 285.832 -90.8599 4.18657 GPRESSURE: 1407000 370.292 -40.1896 344.699 16.3915 70.0395 23.7509 233.579 -108.534 60.8115 PRESSAVG: 1407000 60.2596 -3.59302 -2.83903 -3.59302 -32.7056 -16.4884 -2.83907 -16.4884 -10.5083 GPRESSAVG: 1407000 59.9532 -3.34417 -0.734627 -4.0805 -33.4041 -16.5491 -3.52099 -16.0001 -9.619 TIMING: 1407000 CPU: 4183.66, 0.00294188/step Wall: 4183.66, 0.00294188/step, 2.93616 hours remaining, 207.425781 MB of memory in use. ENERGY: 1407000 724.2612 2088.2159 1920.4271 112.6181 -206594.9762 17913.7183 0.0000 0.0000 34516.5106 -149319.2250 301.4413 -183835.7356 -149211.3394 299.0606 137.0098 167.0476 556355.6841 5.6819 5.6434 PRESSURE: 1407200 -19.4288 -54.013 -96.36 -54.0127 -137.277 70.6574 -96.3611 70.6562 -92.9088 GPRESSURE: 1407200 42.6415 -58.0833 -67.2611 13.4793 -93.956 100.108 -91.2305 59.2266 -91.7106 PRESSAVG: 1407200 26.9579 -8.85427 18.5215 -8.85433 17.7538 17.8895 18.5216 17.8895 -61.4531 GPRESSAVG: 1407200 27.5043 -7.70723 15.8152 -8.79161 18.4133 18.3812 20.2832 17.4113 -62.7891 TIMING: 1407200 CPU: 4184.25, 0.00297645/step Wall: 4184.25, 0.00297645/step, 2.9705 hours remaining, 207.425781 MB of memory in use. ENERGY: 1407200 709.7375 2091.3624 1973.8936 113.7603 -205920.2703 17746.9888 0.0000 0.0000 34172.5343 -149111.9934 298.4372 -183284.5277 -149019.1178 299.3021 -83.2048 -47.6750 559393.3473 -5.5805 -5.6238 PRESSURE: 1407400 -52.2757 -138.132 -104.777 -138.132 -132.896 -38.1039 -104.777 -38.1042 154.866 GPRESSURE: 1407400 17.0644 -93.5577 -86.1044 -209.299 -136.419 -0.726896 -127.225 -30.465 170.871 PRESSAVG: 1407400 19.9725 -47.3291 12.5649 -47.3291 -53.8246 8.84225 12.5649 8.84218 27.2671 GPRESSAVG: 1407400 20.5445 -48.9161 12.6683 -46.4855 -53.2657 8.67871 11.9457 8.16159 26.6668 TIMING: 1407400 CPU: 4184.85, 0.00297632/step Wall: 4184.85, 0.00297632/step, 2.9702 hours remaining, 207.425781 MB of memory in use. ENERGY: 1407400 718.6767 2110.4955 1981.4421 120.7374 -205982.5964 17794.9651 0.0000 0.0000 34386.8105 -148869.4692 300.3086 -183256.2797 -148772.1102 299.6817 -10.1018 17.1721 560018.3905 -2.1950 -2.0182 PRESSURE: 1407600 127.114 128.967 1.79027 128.967 -106.041 175.063 1.79045 175.063 87.6469 GPRESSURE: 1407600 165.604 145.052 55.6773 84.1736 -21.6919 130.242 15.2007 229.196 54.4405 PRESSAVG: 1407600 13.7413 -21.1001 -23.3759 -21.1 9.20409 75.323 -23.376 75.323 31.2345 GPRESSAVG: 1407600 12.707 -19.3544 -22.802 -21.942 9.6997 74.9151 -23.2778 75.8737 31.7572 TIMING: 1407600 CPU: 4185.44, 0.00297017/step Wall: 4185.44, 0.00297017/step, 2.9639 hours remaining, 207.425781 MB of memory in use. ENERGY: 1407600 730.0562 2105.7671 1971.4254 110.4797 -205836.5070 17774.2443 0.0000 0.0000 34222.6523 -148921.8819 298.8749 -183144.5342 -148821.3766 299.9262 36.2402 66.1174 558673.7149 18.0600 18.0547 PRESSURE: 1407800 220.293 -258.645 54.0741 -258.646 -10.4668 -31.5415 54.0733 -31.5427 97.4437 GPRESSURE: 1407800 290.832 -253.152 -28.1426 -246.026 -12.792 -152.985 94.5439 93.8875 127.599 PRESSAVG: 1407800 53.5558 -10.7603 31.4087 -10.7602 -35.3223 -27.0832 31.4088 -27.0832 -15.1713 GPRESSAVG: 1407800 54.7628 -13.7708 32.8765 -10.0976 -36.7267 -26.281 29.9296 -27.8351 -14.9368 TIMING: 1407800 CPU: 4186.04, 0.00296744/step Wall: 4186.04, 0.00296744/step, 2.96101 hours remaining, 207.425781 MB of memory in use. ENERGY: 1407800 737.3560 2126.6188 1996.1865 120.7124 -206143.0906 18109.6281 0.0000 0.0000 34246.7793 -148805.8095 299.0856 -183052.5888 -148711.2036 299.8823 102.4233 135.2130 559058.0421 1.0207 1.0331 PRESSURE: 1408000 -10.1965 -92.6815 110.866 -92.6814 -20.985 70.0265 110.866 70.0255 -52.5256 GPRESSURE: 1408000 1.39578 -105.23 108.98 -7.43155 5.93268 87.6209 58.5076 95.6397 5.3364 PRESSAVG: 1408000 -12.0864 -4.73093 35.1495 -4.73097 58.7768 11.2608 35.1495 11.2609 -46.3056 GPRESSAVG: 1408000 -12.7153 -4.69871 34.2259 -3.0881 58.9968 8.96323 35.8085 13.301 -46.0948 TIMING: 1408000 CPU: 4186.63, 0.00295722/step Wall: 4186.63, 0.00295722/step, 2.95065 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: 1408000 756.9884 2099.8519 1960.5627 106.4704 -206132.4832 17910.2654 0.0000 0.0000 34665.1002 -148633.2442 302.7389 -183298.3444 -148549.3934 299.9359 -27.9024 4.2216 557426.7616 0.1283 0.0622 PRESSURE: 1408200 4.19809 158.465 58.0028 158.466 124.281 7.0006 58.0029 7.00164 24.8953 GPRESSURE: 1408200 32.6954 166.037 41.6311 247.015 117.93 94.098 98.3289 -22.9616 102.764 PRESSAVG: 1408200 -2.04015 10.7798 5.94639 10.7798 57.3826 -12.3245 5.94642 -12.3245 -46.3091 GPRESSAVG: 1408200 -2.21648 12.0798 6.45918 9.97613 57.3437 -11.0723 6.32413 -13.1778 -45.7865 TIMING: 1408200 CPU: 4187.22, 0.00294119/step Wall: 4187.22, 0.00294119/step, 2.9345 hours remaining, 207.425781 MB of memory in use. ENERGY: 1408200 758.9385 2109.0994 1980.6167 111.7913 -205470.1785 17581.2705 0.0000 0.0000 34222.3587 -148706.1034 298.8724 -182928.4622 -148606.6783 300.5979 51.1249 84.4632 558352.6946 3.0111 3.1136 LDB: ============= START OF LOAD BALANCING ============== 4190.64 LDB: ============== END OF LOAD BALANCING =============== 4190.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4190.64 LDB: ============= START OF LOAD BALANCING ============== 4190.94 LDB: Largest compute 4847 load 0.028376 is 24.0% of average load 0.118077 LDB: Average compute 0.001719 is 1.5% of average load 0.118077 LDB: TIME 4190.95 LOAD: AVG 0.118077 MAX 0.199726 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.918 MB LDB: TIME 4190.95 LOAD: AVG 0.118077 MAX 0.199726 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 4190.95 LOAD: AVG 0.118077 MAX 0.199726 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4190.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4190.95 PRESSURE: 1408400 -352.401 193.228 125.707 193.226 -295.197 -40.2889 125.707 -40.2862 -376.895 GPRESSURE: 1408400 -230.24 190.187 147.777 156.445 -294.822 -96.7103 80.859 -35.8573 -397.142 PRESSAVG: 1408400 28.9166 9.40294 -3.47163 9.40288 -38.7713 36.1069 -3.4717 36.1068 -22.2214 GPRESSAVG: 1408400 30.0832 10.1203 -4.88874 9.60132 -38.407 37.3415 -2.68516 35.526 -23.2333 TIMING: 1408400 CPU: 4187.82, 0.00303594/step Wall: 4187.82, 0.00303594/step, 3.02885 hours remaining, 206.710938 MB of memory in use. ENERGY: 1408400 755.8335 2078.2782 1977.5884 106.2085 -205363.6066 17276.3413 0.0000 0.0000 34274.1844 -148895.1723 299.3250 -183169.3567 -148804.1945 300.2963 -341.4977 -307.4014 560191.9735 -10.6920 -10.5191 PRESSURE: 1408600 261.587 -271.198 -72.0035 -271.197 238.913 -135.118 -72.0038 -135.116 409.164 GPRESSURE: 1408600 257.068 -283.662 4.51376 -181.829 278.433 -223.071 -123.859 -128.385 477.214 PRESSAVG: 1408600 -9.39965 12.554 -27.2201 12.5539 51.3326 -2.50993 -27.22 -2.50993 -30.5121 GPRESSAVG: 1408600 -10.15 13.0262 -29.1888 11.7384 52.4159 -5.44997 -27.2521 -0.714411 -30.3544 TIMING: 1408600 CPU: 4188.42, 0.00297824/step Wall: 4188.42, 0.00297824/step, 2.97112 hours remaining, 206.781250 MB of memory in use. ENERGY: 1408600 731.6134 2132.9211 1979.0164 107.0018 -206542.8850 18246.3153 0.0000 0.0000 34601.2441 -148744.7730 302.1813 -183346.0170 -148649.7051 300.4005 303.2213 337.5719 557708.1345 3.8069 3.9705 PRESSURE: 1408800 121.826 -56.9586 -92.3209 -56.96 -495.602 -17.9138 -92.3197 -17.9133 -174.964 GPRESSURE: 1408800 133.537 4.95366 -92.1688 -102.049 -378.868 34.853 -31.8384 -76.6282 -212.946 PRESSAVG: 1408800 57.0317 38.7181 -20.4322 38.718 -84.0564 -15.1186 -20.4322 -15.1187 6.52937 GPRESSAVG: 1408800 57.5191 40.2568 -20.469 37.7804 -85.5165 -12.7504 -20.759 -17.7772 7.04511 TIMING: 1408800 CPU: 4189.01, 0.00296596/step Wall: 4189.01, 0.00296596/step, 2.95871 hours remaining, 206.781250 MB of memory in use. ENERGY: 1408800 726.3365 2161.7900 1963.9401 120.2109 -205841.7011 17624.8474 0.0000 0.0000 34573.4903 -148671.0858 301.9389 -183244.5761 -148566.1465 301.2565 -182.9134 -152.7591 559262.9205 -6.8318 -6.9841 PRESSURE: 1409000 13.1916 -56.6277 160.443 -56.6271 -296.635 60.974 160.443 60.9739 -418.715 GPRESSURE: 1409000 61.4723 41.3193 195.202 -152.892 -270.278 59.1201 129.36 37.6282 -400.773 PRESSAVG: 1409000 74.4715 -30.3031 23.5713 -30.3031 -81.103 1.28623 23.5713 1.28617 -26.4998 GPRESSAVG: 1409000 74.2202 -30.3572 25.5484 -30.7705 -80.895 -0.225215 21.7366 3.1539 -26.2017 TIMING: 1409000 CPU: 4189.6, 0.00295953/step Wall: 4189.6, 0.00295953/step, 2.95213 hours remaining, 206.781250 MB of memory in use. ENERGY: 1409000 753.6098 2118.8326 1946.1680 102.8450 -205824.5535 17625.5854 0.0000 0.0000 34534.9339 -148742.5788 301.6022 -183277.5128 -148647.1700 301.1448 -234.0528 -203.1929 561137.3851 -11.0438 -10.9588 PRESSURE: 1409200 -49.0501 14.1316 -69.1638 14.1326 -273.926 -2.39979 -69.1637 -2.39743 -76.2388 GPRESSURE: 1409200 -15.8508 58.0715 -33.1192 -32.1961 -197.181 43.3222 -92.0029 42.1831 -91.3499 PRESSAVG: 1409200 58.7229 13.1645 -13.6669 13.1645 -47.2241 74.8531 -13.6669 74.8531 8.73327 GPRESSAVG: 1409200 58.9765 11.6258 -13.423 12.8978 -46.9423 75.3239 -12.67 73.0128 8.32931 TIMING: 1409200 CPU: 4190.19, 0.00294659/step Wall: 4190.19, 0.00294659/step, 2.93906 hours remaining, 206.781250 MB of memory in use. ENERGY: 1409200 732.1476 2077.4321 1955.8599 109.9799 -205956.9954 17678.2411 0.0000 0.0000 34382.2884 -149021.0463 300.2691 -183403.3347 -148917.7487 300.4357 -133.0716 -101.4605 559209.5469 6.7440 6.7878 PRESSURE: 1409400 -175.108 -83.2901 -57.4678 -83.2896 62.9923 -62.7203 -57.4672 -62.72 -154.371 GPRESSURE: 1409400 -142.393 -89.1017 -30.3921 -123.147 90.3365 -97.8133 -40.9618 -87.0298 -119.311 PRESSAVG: 1409400 73.3655 11.0331 -23.0603 11.0331 -62.3621 65.9447 -23.0602 65.9447 22.3653 GPRESSAVG: 1409400 71.9233 10.1133 -24.0633 12.2511 -61.8729 66.7377 -23.4366 65.1384 23.6979 TIMING: 1409400 CPU: 4190.78, 0.00296039/step Wall: 4190.78, 0.00296039/step, 2.95266 hours remaining, 206.781250 MB of memory in use. ENERGY: 1409400 797.5263 2111.6901 1959.1509 116.1046 -206371.5667 17875.2356 0.0000 0.0000 34243.8887 -149267.9705 299.0604 -183511.8593 -149173.9592 299.3048 -88.8289 -57.1225 557342.5878 11.1229 11.2494 PRESSURE: 1409600 107.434 -101.829 -111.838 -101.829 -104.999 -226.721 -111.837 -226.72 6.48218 GPRESSURE: 1409600 122.552 -57.1436 -103.071 -101.793 -30.7194 -266.377 -113.707 -216.717 18.6709 PRESSAVG: 1409600 -46.1796 32.3213 -21.1826 32.3212 34.3228 -36.1828 -21.1826 -36.1828 40.9787 GPRESSAVG: 1409600 -44.419 31.9712 -17.5542 31.0632 34.3317 -38.964 -22.2528 -33.523 39.14 TIMING: 1409600 CPU: 4191.37, 0.00294186/step Wall: 4191.37, 0.00294186/step, 2.93402 hours remaining, 206.781250 MB of memory in use. ENERGY: 1409600 750.1133 2100.5797 1966.4054 117.2089 -206377.5050 17886.3466 0.0000 0.0000 34100.0615 -149456.7897 297.8043 -183556.8512 -149362.1532 298.8619 2.9724 36.8345 556740.1127 9.7073 9.6843 PRESSURE: 1409800 118.348 -36.778 -26.9335 -36.7781 -39.8357 -5.43095 -26.9329 -5.43023 99.7048 GPRESSURE: 1409800 173.597 70.5139 -99.8449 -54.0585 -27.3217 -24.7818 7.60838 6.45276 117.927 PRESSAVG: 1409800 -19.0918 -31.8884 -16.3853 -31.8884 -10.5864 -63.6669 -16.3853 -63.667 -7.82611 GPRESSAVG: 1409800 -20.5175 -32.2977 -18.193 -30.7715 -10.6581 -61.196 -14.6056 -64.5515 -6.37299 TIMING: 1409800 CPU: 4191.97, 0.0029626/step Wall: 4191.97, 0.0029626/step, 2.95454 hours remaining, 206.781250 MB of memory in use. ENERGY: 1409800 730.1583 2064.5857 1976.7272 103.2148 -206201.7574 17703.4285 0.0000 0.0000 34277.8420 -149345.8009 299.3569 -183623.6429 -149247.2615 298.9191 59.4057 88.0674 555040.9465 -12.5014 -12.5162 PRESSURE: 1410000 -184.058 179.028 39.8611 179.028 -28.3293 -130.901 39.8618 -130.9 -150.181 GPRESSURE: 1410000 -153.686 164.168 34.7176 48.9085 2.37846 -147.915 67.898 -129.866 -111.74 PRESSAVG: 1410000 -33.9015 -3.63324 -62.6761 -3.6332 -27.4267 -25.6106 -62.6761 -25.6106 67.6454 GPRESSAVG: 1410000 -33.2197 -4.13805 -64.2205 -2.80768 -27.5372 -27.206 -61.0474 -23.5598 66.8118 TIMING: 1410000 CPU: 4192.56, 0.00294999/step Wall: 4192.56, 0.00294999/step, 2.94179 hours remaining, 206.781250 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: 1410000 743.0807 2101.1563 1966.4334 126.1407 -206061.4859 17714.4220 0.0000 0.0000 34116.5503 -149293.7025 297.9483 -183410.2528 -149197.9221 299.0632 -120.8560 -87.6825 558779.7761 2.1057 2.0183 PRESSURE: 1410200 -167.929 -47.0968 42.8739 -47.0985 -188.467 46.5581 42.873 46.5573 -386.59 GPRESSURE: 1410200 -146.137 -46.499 -13.0729 -5.36723 -191.96 -23.018 93.5373 85.6276 -321.049 PRESSAVG: 1410200 -86.031 0.75987 -9.73354 0.759901 35.9018 -4.43394 -9.7336 -4.43385 67.349 GPRESSAVG: 1410200 -86.6676 0.863983 -9.1831 1.14989 35.6595 -3.13091 -10.3874 -6.85437 68.2403 TIMING: 1410200 CPU: 4193.14, 0.00294553/step Wall: 4193.14, 0.00294553/step, 2.93719 hours remaining, 206.781250 MB of memory in use. ENERGY: 1410200 750.9649 2066.0940 1957.8217 120.9979 -205772.1588 17374.8555 0.0000 0.0000 34326.2525 -149175.1724 299.7797 -183501.4248 -149075.2405 298.8775 -247.6621 -219.7151 558400.0670 5.7400 5.7441 PRESSURE: 1410400 -192.968 -1.01551 181.879 -1.01368 200.05 -2.45816 181.88 -2.45838 32.9122 GPRESSURE: 1410400 -126.421 68.6557 153.823 -9.51824 187.034 -44.2166 185.415 -0.0899682 70.2559 PRESSAVG: 1410400 -41.1543 35.349 20.7259 35.3489 80.3646 -19.3225 20.726 -19.3226 -36.0713 GPRESSAVG: 1410400 -40.0944 35.013 19.1591 36.2966 80.1359 -19.0795 19.7203 -18.2267 -36.8866 TIMING: 1410400 CPU: 4193.73, 0.00294548/step Wall: 4193.73, 0.00294548/step, 2.93698 hours remaining, 206.781250 MB of memory in use. ENERGY: 1410400 731.7008 2095.7512 1946.2221 121.7179 -206230.8780 17878.2568 0.0000 0.0000 34158.3496 -149298.8798 298.3134 -183457.2293 -149202.9923 299.1876 13.3314 43.6227 557570.3786 1.0463 1.0516 PRESSURE: 1410600 -53.8406 40.2261 168.247 40.2262 -253.761 -62.2539 168.247 -62.2539 -111.14 GPRESSURE: 1410600 -30.4155 14.1549 91.7122 48.5478 -232.01 11.102 195.262 -126.851 -75.4516 PRESSAVG: 1410600 38.0802 -15.8755 -26.4916 -15.8755 21.5785 0.143868 -26.4916 0.143847 -17.4698 GPRESSAVG: 1410600 37.678 -14.9154 -25.3525 -19.0979 22.4819 0.994038 -24.7129 -0.48617 -17.9985 TIMING: 1410600 CPU: 4194.33, 0.00296048/step Wall: 4194.33, 0.00296048/step, 2.95177 hours remaining, 206.781250 MB of memory in use. ENERGY: 1410600 727.6883 2068.9765 1974.0539 109.0959 -206067.1623 17596.3339 0.0000 0.0000 34255.0515 -149335.9623 299.1579 -183591.0138 -149231.5134 298.4738 -139.5804 -112.6256 557269.7439 14.0629 14.0538 PRESSURE: 1410800 -72.5302 51.0635 -6.93518 51.0635 -197.986 40.7986 -6.93479 40.7972 146.038 GPRESSURE: 1410800 -1.90614 76.3412 -22.413 43.771 -174.842 44.6959 -105.947 74.6381 154.07 PRESSAVG: 1410800 90.5596 -38.2114 -13.9201 -38.2115 -93.401 3.35248 -13.92 3.35241 5.18436 GPRESSAVG: 1410800 89.8828 -38.1721 -13.3202 -36.0955 -93.6355 2.58333 -15.4387 3.43058 6.36752 TIMING: 1410800 CPU: 4194.92, 0.00296981/step Wall: 4194.92, 0.00296981/step, 2.96091 hours remaining, 206.781250 MB of memory in use. ENERGY: 1410800 763.6541 2026.3095 1966.4984 107.1431 -206321.8147 17812.2768 0.0000 0.0000 34290.7946 -149355.1382 299.4700 -183645.9328 -149262.1310 299.3131 -41.4925 -7.5594 556522.1256 0.7810 0.8716 PRESSURE: 1411000 -254.798 62.5889 -69.8697 62.5885 73.6227 23.6882 -69.8695 23.6898 42.2048 GPRESSURE: 1411000 -197.689 -11.0308 -1.25485 147.854 52.2643 1.82913 -78.6447 16.9276 102.111 PRESSAVG: 1411000 -30.1685 21.5368 -50.884 21.537 3.30061 121.21 -50.8839 121.21 40.5814 GPRESSAVG: 1411000 -27.9867 21.2232 -52.7702 21.4799 1.629 121.34 -51.2016 122.083 40.027 TIMING: 1411000 CPU: 4195.52, 0.00297855/step Wall: 4195.52, 0.00297855/step, 2.96945 hours remaining, 206.781250 MB of memory in use. ENERGY: 1411000 739.1334 2081.2193 1977.2154 117.8984 -206284.8121 17790.9719 0.0000 0.0000 34332.2471 -149246.1265 299.8321 -183578.3737 -149153.5924 299.4525 -46.3236 -14.4381 557577.5011 4.5712 4.5564 PRESSURE: 1411200 -8.29816 82.8939 -46.7395 82.8938 194.937 -67.2188 -46.7393 -67.2163 152.062 GPRESSURE: 1411200 68.9798 81.6502 -47.9804 82.5875 202.071 -49.9378 -40.5592 -72.1063 151.666 PRESSAVG: 1411200 37.1255 21.2399 -35.5271 21.24 -29.6882 35.1648 -35.527 35.1648 -4.18515 GPRESSAVG: 1411200 36.9933 22.4132 -34.4452 20.545 -28.6245 34.4651 -36.5384 32.9119 -5.33194 TIMING: 1411200 CPU: 4196.11, 0.00296676/step Wall: 4196.11, 0.00296676/step, 2.95753 hours remaining, 206.781250 MB of memory in use. ENERGY: 1411200 758.2477 2100.2719 1947.2556 119.4026 -206738.4257 18112.3243 0.0000 0.0000 34563.2994 -149137.6242 301.8499 -183700.9236 -149051.8704 299.4726 112.9004 140.9056 557245.0423 1.0840 1.0123 PRESSURE: 1411400 -25.8418 31.0967 88.9928 31.0959 55.6157 137.855 88.9927 137.857 149.54 GPRESSURE: 1411400 -37.2318 142.916 251.509 -0.0114101 128.415 112.021 33.113 80.3825 181.62 PRESSAVG: 1411400 -37.4783 -9.08339 -7.14291 -9.08345 39.5998 12.6516 -7.14285 12.6517 -9.6255 GPRESSAVG: 1411400 -38.7675 -9.70654 -7.3188 -8.21648 38.106 14.5155 -5.591 12.8782 -6.98392 TIMING: 1411400 CPU: 4196.71, 0.00298256/step Wall: 4196.71, 0.00298256/step, 2.97311 hours remaining, 206.781250 MB of memory in use. ENERGY: 1411400 735.4148 2059.1478 1965.4999 117.7089 -206341.9087 17842.7144 0.0000 0.0000 34328.2408 -149293.1820 299.7971 -183621.4229 -149200.1714 298.8227 59.7715 90.9343 556864.2655 -2.5013 -2.5485 PRESSURE: 1411600 177.455 -48.7991 -51.1348 -48.7993 41.7404 -80.3454 -51.1347 -80.3436 -43.4478 GPRESSURE: 1411600 185.727 -51.0379 21.6079 -74.6226 163.828 -64.6503 -79.5418 -186.665 -82.0149 PRESSAVG: 1411600 11.6471 -0.175862 -4.07084 -0.175896 14.1594 16.0335 -4.07079 16.0334 -23.7781 GPRESSAVG: 1411600 11.6462 -0.466593 -7.44424 -1.48749 15.009 14.8593 -1.60622 15.4501 -25.4479 TIMING: 1411600 CPU: 4197.3, 0.00298552/step Wall: 4197.3, 0.00298552/step, 2.9759 hours remaining, 206.781250 MB of memory in use. ENERGY: 1411600 727.2417 2070.6195 1949.9703 104.1622 -206382.3215 17778.1629 0.0000 0.0000 34433.5419 -149318.6230 300.7167 -183752.1650 -149225.2988 298.7454 58.5826 89.1800 557099.0242 0.6761 0.4024 PRESSURE: 1411800 186.153 -27.5118 -166.02 -27.5101 335.329 -170.834 -166.02 -170.835 23.4555 GPRESSURE: 1411800 242.483 -91.7234 -67.3236 20.9904 356.863 -117.245 -143.029 -153.847 45.3601 PRESSAVG: 1411800 -8.80426 -17.7485 23.4689 -17.7485 12.2159 15.0519 23.4688 15.0519 -16.2082 GPRESSAVG: 1411800 -8.74103 -18.1311 24.9516 -15.895 11.463 15.3883 22.6518 15.8675 -15.3286 TIMING: 1411800 CPU: 4197.9, 0.00298073/step Wall: 4197.9, 0.00298073/step, 2.97096 hours remaining, 206.781250 MB of memory in use. ENERGY: 1411800 775.3669 2082.3799 1949.9839 123.7658 -206458.4529 18111.4801 0.0000 0.0000 34135.6238 -149279.8525 298.1149 -183415.4763 -149187.3974 299.0785 181.6459 214.9019 555967.1894 -4.2655 -4.2022 PRESSURE: 1412000 -54.4915 -4.14561 -102.74 -4.14603 28.7013 92.6267 -102.739 92.6258 253.186 GPRESSURE: 1412000 11.027 -67.6449 -170.946 -94.8368 36.4028 30.2298 -128.511 97.9766 276.441 PRESSAVG: 1412000 -39.8109 -11.155 -63.8015 -11.1549 20.7359 -39.5487 -63.8014 -39.5488 -5.57605 GPRESSAVG: 1412000 -38.9295 -11.7158 -63.5453 -12.9203 21.2362 -40.2506 -63.4301 -39.0369 -6.93264 TIMING: 1412000 CPU: 4198.49, 0.00296278/step Wall: 4198.49, 0.00296278/step, 2.9529 hours remaining, 206.781250 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: 1412000 744.9641 2123.6860 1970.8159 110.9237 -206547.7823 18061.5294 0.0000 0.0000 34109.4500 -149426.4132 297.8863 -183535.8632 -149328.6506 298.9809 75.7987 107.9569 557460.8352 -8.2170 -8.2087 PRESSURE: 1412200 21.0515 5.72644 93.5903 5.72641 -42.7818 -99.6452 93.5909 -99.646 42.3081 GPRESSURE: 1412200 56.7961 42.5397 132.076 -23.0779 -59.5613 -121.265 66.1188 -36.6906 111.458 PRESSAVG: 1412200 -10.8019 -2.61701 21.089 -2.61698 16.1479 -14.9593 21.0889 -14.9594 4.99611 GPRESSAVG: 1412200 -10.9529 -0.600298 20.8252 -3.82601 15.1641 -14.6861 19.5532 -14.7601 5.74451 TIMING: 1412200 CPU: 4199.08, 0.00294812/step Wall: 4199.08, 0.00294812/step, 2.93813 hours remaining, 206.781250 MB of memory in use. ENERGY: 1412200 751.6182 2050.8578 1976.7633 125.3962 -205890.9710 17747.8300 0.0000 0.0000 33896.3773 -149342.1281 296.0255 -183238.5054 -149252.1245 298.0612 6.8592 36.2310 557084.7054 3.4474 3.3186 LDB: ============= START OF LOAD BALANCING ============== 4202.51 LDB: ============== END OF LOAD BALANCING =============== 4202.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4202.51 LDB: ============= START OF LOAD BALANCING ============== 4202.81 LDB: Largest compute 4847 load 0.028818 is 24.4% of average load 0.117978 LDB: Average compute 0.001730 is 1.5% of average load 0.117978 LDB: TIME 4202.81 LOAD: AVG 0.117978 MAX 0.198582 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 4202.81 LOAD: AVG 0.117978 MAX 0.198582 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: TIME 4202.81 LOAD: AVG 0.117978 MAX 0.198582 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4202.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4202.82 PRESSURE: 1412400 13.8546 38.3064 -126.554 38.3069 -189.415 45.9358 -126.554 45.9373 -177.384 GPRESSURE: 1412400 18.4991 29.0774 -32.8616 28.8547 -128.221 -92.0168 -109.878 83.5189 -157.075 PRESSAVG: 1412400 3.14905 22.0869 31.6944 22.0869 -58.4979 5.08454 31.6942 5.08448 47.8344 GPRESSAVG: 1412400 1.73307 17.5418 31.9374 25.9231 -58.0295 4.59353 33.1682 3.8909 48.6486 TIMING: 1412400 CPU: 4199.69, 0.00303281/step Wall: 4199.69, 0.00303281/step, 3.02236 hours remaining, 207.542969 MB of memory in use. ENERGY: 1412400 752.2926 2129.5216 1958.5711 109.9302 -206011.1068 17598.6212 0.0000 0.0000 34067.9652 -149394.2049 297.5240 -183462.1701 -149295.9031 298.1852 -117.6479 -88.9322 557898.5454 -2.5048 -2.5493 PRESSURE: 1412600 -260.405 9.65201 -160.987 9.65228 116.056 7.29807 -160.986 7.29722 -134.489 GPRESSURE: 1412600 -162.959 -20.3441 -44.7528 -8.4214 98.6726 -19.6395 -124.154 -9.26211 -111.171 PRESSAVG: 1412600 -33.2147 26.6112 -13.186 26.6111 -53.5475 2.19819 -13.186 2.1982 72.4448 GPRESSAVG: 1412600 -33.5449 30.021 -11.6695 23.6622 -53.362 1.80487 -15.5777 5.00345 72.3614 TIMING: 1412600 CPU: 4200.28, 0.00296749/step Wall: 4200.28, 0.00296749/step, 2.9571 hours remaining, 207.542969 MB of memory in use. ENERGY: 1412600 765.4904 2146.5449 1944.0957 109.4986 -206114.0117 17675.1916 0.0000 0.0000 34214.2313 -149258.9589 298.8014 -183473.1903 -149171.9670 298.7517 -92.9459 -58.4861 557535.1552 -4.7725 -4.8485 PRESSURE: 1412800 405.866 -21.0661 -46.155 -21.0665 -166.809 44.2183 -46.1546 44.2181 -140.285 GPRESSURE: 1412800 374.822 -99.5995 -38.2267 17.2491 -36.2968 -65.1391 19.6144 92.3728 -139.704 PRESSAVG: 1412800 3.15929 48.044 -43.6917 48.0439 50.7715 17.2939 -43.6917 17.2939 -36.6224 GPRESSAVG: 1412800 2.88752 48.9322 -42.07 48.3295 51.7153 19.2529 -44.6901 11.9957 -37.3819 TIMING: 1412800 CPU: 4200.87, 0.00295131/step Wall: 4200.87, 0.00295131/step, 2.94082 hours remaining, 207.542969 MB of memory in use. ENERGY: 1412800 743.7423 2113.3947 1964.8532 109.2512 -206380.1670 17850.5895 0.0000 0.0000 34206.9352 -149391.4009 298.7377 -183598.3361 -149291.3268 299.2508 32.9236 66.2735 557692.0375 5.7694 5.7403 PRESSURE: 1413000 318.677 -14.0179 -133.68 -14.0174 102.113 -88.3111 -133.68 -88.311 41.6235 GPRESSURE: 1413000 315.236 27.65 -101.438 -12.4949 132.756 -166.99 -197.784 -65.5575 96.398 PRESSAVG: 1413000 39.8746 37.5198 -6.97149 37.5198 -37.7854 -20.7228 -6.97139 -20.7228 -4.22583 GPRESSAVG: 1413000 40.5787 36.9657 -9.82418 38.1748 -38.611 -19.7872 -4.86209 -17.3569 -3.80417 TIMING: 1413000 CPU: 4201.46, 0.00291926/step Wall: 4201.46, 0.00291926/step, 2.90872 hours remaining, 207.542969 MB of memory in use. ENERGY: 1413000 725.4211 2058.8538 1945.4358 127.8379 -206675.2964 18049.2372 0.0000 0.0000 34196.9630 -149571.5475 298.6506 -183768.5105 -149476.7917 298.5368 154.1379 181.4633 557125.5745 -0.7122 -0.6122 PRESSURE: 1413200 155.617 91.7877 96.7488 91.7879 -113.745 -162.291 96.7499 -162.292 -146.85 GPRESSURE: 1413200 175.432 107.216 145.494 126.587 -51.1969 -37.3138 139.381 -206.929 -130.14 PRESSAVG: 1413200 39.7159 1.18507 7.84749 1.18502 63.8545 -2.64629 7.84742 -2.64627 -94.922 GPRESSAVG: 1413200 40.2381 1.26515 8.32079 1.10415 62.7719 -5.27345 8.042 -3.56521 -93.6857 TIMING: 1413200 CPU: 4202.05, 0.00297172/step Wall: 4202.05, 0.00297172/step, 2.96082 hours remaining, 207.542969 MB of memory in use. ENERGY: 1413200 759.7155 2078.8755 1936.6018 126.4919 -206206.3423 17627.3790 0.0000 0.0000 34116.7973 -149560.4812 297.9505 -183677.2785 -149468.8634 298.2056 -34.9927 -1.9685 555055.8293 2.8828 3.1081 PRESSURE: 1413400 -80.3479 1.85568 29.7184 1.85654 -132.628 -209.521 29.7178 -209.522 -100.957 GPRESSURE: 1413400 -59.3211 3.76581 38.9975 -28.4132 -94.1938 -122.649 -22.9633 -213.199 -58.7639 PRESSAVG: 1413400 25.4959 16.4244 70.5252 16.4243 15.2741 30.624 70.5252 30.6239 -45.6421 GPRESSAVG: 1413400 24.6643 15.6568 70.6349 17.2178 16.6784 32.4196 70.3449 31.6758 -45.5144 TIMING: 1413400 CPU: 4202.64, 0.0029499/step Wall: 4202.64, 0.0029499/step, 2.93892 hours remaining, 207.542969 MB of memory in use. ENERGY: 1413400 774.5706 2118.3030 1921.2658 104.0207 -206671.7896 17952.5348 0.0000 0.0000 34234.9551 -149566.1395 298.9824 -183801.0946 -149470.1865 297.9437 -104.6443 -70.7596 557190.9324 -1.6240 -1.3906 PRESSURE: 1413600 115.98 -142.238 88.406 -142.237 -240.744 106.604 88.4052 106.604 -322.507 GPRESSURE: 1413600 133.853 -75.0684 19.3121 -135.041 -244.917 105.806 89.6391 42.1633 -229.919 PRESSAVG: 1413600 22.9175 -19.6883 10.466 -19.6883 18.6601 8.04101 10.4661 8.04102 -52.1094 GPRESSAVG: 1413600 24.2261 -19.5293 10.8169 -20.1266 18.1297 5.15367 10.4257 8.83955 -53.1203 TIMING: 1413600 CPU: 4203.24, 0.00299082/step Wall: 4203.24, 0.00299082/step, 2.97952 hours remaining, 207.542969 MB of memory in use. ENERGY: 1413600 762.3219 2110.8043 1923.3822 108.1319 -206345.7857 17718.4804 0.0000 0.0000 34163.3748 -149559.2903 298.3572 -183722.6651 -149456.4329 297.8442 -149.0904 -113.6610 556445.2945 -3.5106 -3.5882 PRESSURE: 1413800 3.75273 36.1469 -45.8335 36.1466 142.234 -112.85 -45.834 -112.851 148.668 GPRESSURE: 1413800 37.0903 145.26 -95.9166 26.2264 179.024 -147.312 -61.6676 -121.386 160.501 PRESSAVG: 1413800 -11.0419 57.2418 -35.7021 57.2418 9.78944 13.7013 -35.702 13.7013 -56.9581 GPRESSAVG: 1413800 -11.6408 58.2086 -36.4512 56.3754 9.41298 13.4955 -37.8604 13.0842 -56.4491 TIMING: 1413800 CPU: 4203.83, 0.00295451/step Wall: 4203.83, 0.00295451/step, 2.94319 hours remaining, 207.542969 MB of memory in use. ENERGY: 1413800 724.2711 2155.0893 1940.1766 114.3715 -206373.1224 17851.4176 0.0000 0.0000 34141.5629 -149446.2334 298.1668 -183587.7963 -149351.9500 298.3182 98.2182 125.5386 556906.6696 -19.4035 -19.5590 PRESSURE: 1414000 -308.275 99.9639 -141.075 99.9645 -132.298 -8.94263 -141.077 -8.94149 -95.4468 GPRESSURE: 1414000 -266.07 78.8812 -120.232 75.7351 -113.001 -64.5516 -109.414 35.3519 -59.9124 PRESSAVG: 1414000 90.8047 48.8618 12.1816 48.8617 -41.8113 -18.872 12.1816 -18.8718 -14.4814 GPRESSAVG: 1414000 91.5155 48.3538 11.2193 50.3824 -41.9947 -18.0636 14.0371 -18.6926 -14.4986 TIMING: 1414000 CPU: 4204.43, 0.00298342/step Wall: 4204.43, 0.00298342/step, 2.97182 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: 1414000 748.1059 2063.1392 1936.0194 103.5710 -206227.4174 17657.1648 0.0000 0.0000 34330.5507 -149388.8663 299.8172 -183719.4170 -149290.0183 299.4676 -178.6732 -146.3278 558930.1732 11.5040 11.6741 PRESSURE: 1414200 -304.361 -54.7925 -96.1637 -54.7921 -118.428 -41.4642 -96.164 -41.4637 142.084 GPRESSURE: 1414200 -233.023 11.4381 -94.6031 -94.9198 -81.795 -33.8589 -113.146 15.0742 126.606 PRESSAVG: 1414200 10.5142 11.7842 -43.9555 11.7841 -24.0074 -30.1199 -43.9555 -30.12 4.30101 GPRESSAVG: 1414200 11.8814 11.6205 -43.8225 9.92435 -25.0815 -27.8067 -42.8284 -32.7163 3.71371 TIMING: 1414200 CPU: 4205.02, 0.00295092/step Wall: 4205.02, 0.00295092/step, 2.93928 hours remaining, 207.542969 MB of memory in use. ENERGY: 1414200 752.7263 2068.7057 1957.2132 108.6145 -206214.6550 17822.3075 0.0000 0.0000 34196.0110 -149309.0768 298.6423 -183505.0878 -149212.7747 299.0791 -93.5681 -62.7373 557817.0458 -3.0641 -3.1621 PRESSURE: 1414400 176.352 -27.653 -12.89 -27.6536 319.971 -126.546 -12.8902 -126.547 -178.408 GPRESSURE: 1414400 282.637 -26.0502 -30.1253 -38.5276 296.925 -117.445 47.7087 -198.673 -158.136 PRESSAVG: 1414400 45.7247 -17.9229 -57.7371 -17.9229 -34.5102 21.7167 -57.7372 21.7166 49.5489 GPRESSAVG: 1414400 44.0984 -18.7788 -57.6125 -17.7628 -33.6859 17.8352 -59.2969 25.0712 50.3707 TIMING: 1414400 CPU: 4205.61, 0.00295419/step Wall: 4205.61, 0.00295419/step, 2.94237 hours remaining, 207.542969 MB of memory in use. ENERGY: 1414400 716.5934 2073.4690 1950.2225 121.6295 -206199.6638 17915.5715 0.0000 0.0000 34097.1635 -149325.0143 297.7790 -183422.1778 -149229.8062 298.7421 105.9719 140.4751 557619.9239 20.2545 20.2610 PRESSURE: 1414600 232.63 39.8357 -3.33127 39.8352 129.235 8.04704 -3.33076 8.04772 155.683 GPRESSURE: 1414600 251.701 35.8045 -52.657 37.8825 174.601 126.251 106.143 -59.9435 188.818 PRESSAVG: 1414600 -20.2686 21.0452 -35.424 21.0451 27.8291 7.52666 -35.424 7.52663 3.14722 GPRESSAVG: 1414600 -18.6815 22.912 -36.2255 19.9293 27.6288 9.99324 -35.3215 5.11682 1.69817 TIMING: 1414600 CPU: 4206.2, 0.00294462/step Wall: 4206.2, 0.00294462/step, 2.93268 hours remaining, 207.542969 MB of memory in use. ENERGY: 1414600 704.6816 2046.0580 1955.6523 109.5437 -206493.1339 18005.4232 0.0000 0.0000 34317.8922 -149353.8830 299.7067 -183671.7752 -149255.7978 298.4231 172.5159 205.0400 556951.3779 3.5692 3.5485 PRESSURE: 1414800 223.206 -54.8245 113.465 -54.8259 228.663 -139.791 113.465 -139.791 8.87877 GPRESSURE: 1414800 257.549 -86.3432 181.73 -104.011 250.348 -86.1949 48.6761 -173.833 47.0984 PRESSAVG: 1414800 68.8031 -2.84378 -3.07437 -2.84372 32.0029 -5.37228 -3.07431 -5.37224 -54.6158 GPRESSAVG: 1414800 67.0365 -5.07912 -4.01855 -2.81833 32.8349 -7.14108 -2.39498 -4.8265 -53.1027 TIMING: 1414800 CPU: 4206.78, 0.00293418/step Wall: 4206.78, 0.00293418/step, 2.92212 hours remaining, 207.542969 MB of memory in use. ENERGY: 1414800 702.9801 2086.8232 1938.2862 113.2195 -206357.8595 18057.8128 0.0000 0.0000 34026.6848 -149432.0530 297.1635 -183458.7378 -149334.6504 298.3433 153.5825 184.9982 557507.3098 15.3967 15.5896 PRESSURE: 1415000 -260.683 -219.756 60.7352 -219.756 -39.3433 135.871 60.7349 135.87 -68.2511 GPRESSURE: 1415000 -207.605 -179.027 77.1388 -211.802 -28.9932 210.75 -91.1384 171.88 -41.0023 PRESSAVG: 1415000 6.62599 -32.5637 -34.3308 -32.5637 -37.2407 18.8136 -34.3309 18.8136 -20.185 GPRESSAVG: 1415000 8.16134 -32.0695 -32.6751 -31.6912 -37.6562 18.5578 -35.2553 18.8691 -21.1853 TIMING: 1415000 CPU: 4207.37, 0.00294811/step Wall: 4207.37, 0.00294811/step, 2.93582 hours remaining, 207.542969 MB of memory in use. ENERGY: 1415000 764.6713 2067.9320 1932.2672 113.0567 -206210.1143 17677.5306 0.0000 0.0000 34126.1255 -149528.5310 298.0319 -183654.6565 -149430.3822 298.4118 -122.7592 -92.5333 557829.7808 -16.9332 -16.8934 PRESSURE: 1415200 226.724 17.8264 217.302 17.8266 -51.1178 -140.272 217.301 -140.271 179.704 GPRESSURE: 1415200 209.743 46.9625 285.081 20.9295 41.2764 -87.4455 236.235 -95.8402 191.768 PRESSAVG: 1415200 -1.16837 -20.0972 -51.4344 -20.0972 -37.3987 24.5608 -51.4344 24.5608 27.9549 GPRESSAVG: 1415200 -2.09212 -21.6691 -53.5381 -19.4932 -37.1767 25.3419 -48.0008 24.3334 29.1977 TIMING: 1415200 CPU: 4207.96, 0.00294755/step Wall: 4207.96, 0.00294755/step, 2.93511 hours remaining, 207.542969 MB of memory in use. ENERGY: 1415200 717.0477 2141.2948 1943.6658 115.8938 -206590.2157 17902.3406 0.0000 0.0000 34289.0432 -149480.9299 299.4547 -183769.9731 -149390.1598 298.6055 118.4365 147.5957 557348.2091 -3.5374 -3.3570 PRESSURE: 1415400 -17.1611 -211.673 156.684 -211.675 38.3487 -62.6734 156.684 -62.6746 -335.369 GPRESSURE: 1415400 -29.1441 -227.416 129.673 -141.301 67.857 -113.135 308.874 -94.818 -253.641 PRESSAVG: 1415400 24.1612 8.46874 -47.2319 8.46872 -31.8641 -3.28419 -47.2317 -3.28416 10.7066 GPRESSAVG: 1415400 25.4726 10.5965 -45.84 7.44211 -32.3343 -3.82825 -46.7949 -3.4748 9.83123 TIMING: 1415400 CPU: 4208.55, 0.00294003/step Wall: 4208.55, 0.00294003/step, 2.92745 hours remaining, 207.542969 MB of memory in use. ENERGY: 1415400 731.7364 2129.9573 1962.8603 101.5643 -205941.2094 17618.6010 0.0000 0.0000 34107.5929 -149288.8973 297.8701 -183396.4902 -149188.5245 298.7006 -104.7271 -71.6427 559410.4254 1.0012 0.9898 PRESSURE: 1415600 220.401 -206.066 -34.8079 -206.065 -62.5462 26.0727 -34.8079 26.073 91.5706 GPRESSURE: 1415600 215.111 -202.655 -91.3252 -153.005 31.2222 -14.8467 -12.6736 1.58304 105.794 PRESSAVG: 1415600 25.1134 -19.9102 12.9334 -19.9103 -64.5595 45.1263 12.9334 45.1263 21.2557 GPRESSAVG: 1415600 23.9772 -18.8393 13.6657 -19.8162 -64.6553 46.3067 10.0537 44.4241 21.3427 TIMING: 1415600 CPU: 4209.14, 0.00294446/step Wall: 4209.14, 0.00294446/step, 2.9317 hours remaining, 207.542969 MB of memory in use. ENERGY: 1415600 758.7759 2070.3279 1949.4053 105.3539 -206398.7581 18038.3772 0.0000 0.0000 34114.2061 -149362.3117 297.9278 -183476.5179 -149256.6052 298.7522 83.1417 117.3758 558560.1685 -6.0635 -6.4451 PRESSURE: 1415800 -4.33171 179.638 127.665 179.638 -203.164 -115.05 127.665 -115.05 152.307 GPRESSURE: 1415800 -46.4853 273.576 107.262 165.725 -133.058 -73.4721 103.191 -123.489 226.634 PRESSAVG: 1415800 -9.24355 -9.03244 10.5763 -9.03247 -42.7211 60.3391 10.5763 60.3392 22.2446 GPRESSAVG: 1415800 -9.36246 -9.30377 9.69447 -9.70555 -42.2751 57.0265 11.2979 63.394 21.436 TIMING: 1415800 CPU: 4209.73, 0.00297056/step Wall: 4209.73, 0.00297056/step, 2.95752 hours remaining, 207.542969 MB of memory in use. ENERGY: 1415800 770.1771 2071.7933 1949.9726 103.6250 -206444.6588 17995.9659 0.0000 0.0000 34207.5630 -149345.5620 298.7432 -183553.1250 -149244.7893 298.2881 -18.3962 15.6968 556664.3085 -9.9067 -10.0672 PRESSURE: 1416000 34.4662 -26.0257 114.688 -26.0256 -84.3559 -43.2521 114.685 -43.2509 -22.8174 GPRESSURE: 1416000 70.8839 24.9592 135.687 -145.607 -28.4172 -79.7864 62.5081 25.6476 -28.4768 PRESSAVG: 1416000 -39.7621 -15.5904 15.6345 -15.5904 14.6911 17.7914 15.6345 17.7914 15.7072 GPRESSAVG: 1416000 -38.9009 -15.9729 15.7234 -14.6963 14.026 18.9426 14.6571 17.1414 15.8173 TIMING: 1416000 CPU: 4210.33, 0.00297152/step Wall: 4210.33, 0.00297152/step, 2.95831 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: 1416000 768.6213 2097.7251 1927.0244 121.9910 -206372.2907 17842.9418 0.0000 0.0000 34282.4821 -149331.5050 299.3974 -183613.9871 -149235.7115 298.8247 -24.2357 4.6633 558027.6971 -3.1212 -3.0192 PRESSURE: 1416200 175.064 -225.844 62.0273 -225.843 -134.227 42.1156 62.0278 42.1162 -126.749 GPRESSURE: 1416200 181.153 -235.263 33.2015 -201.574 -63.8326 77.8563 90.6878 5.5051 -128.902 PRESSAVG: 1416200 62.3489 10.6308 37.9488 10.6308 -37.3838 38.9596 37.9487 38.9597 -1.86932 GPRESSAVG: 1416200 62.3552 10.8073 35.5867 9.23324 -37.0397 37.9408 40.8356 37.9618 -2.24416 TIMING: 1416200 CPU: 4210.92, 0.00296239/step Wall: 4210.92, 0.00296239/step, 2.94906 hours remaining, 207.542969 MB of memory in use. ENERGY: 1416200 736.9022 2035.2159 1965.8380 119.6103 -206661.4231 17897.7130 0.0000 0.0000 34269.6079 -149636.5357 299.2850 -183906.1436 -149539.0535 298.7241 -28.6373 -3.8606 557329.7225 7.6986 7.6905 LDB: ============= START OF LOAD BALANCING ============== 4214.34 LDB: ============== END OF LOAD BALANCING =============== 4214.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4214.35 LDB: ============= START OF LOAD BALANCING ============== 4214.64 LDB: Largest compute 4847 load 0.027918 is 23.6% of average load 0.118055 LDB: Average compute 0.001731 is 1.5% of average load 0.118055 LDB: TIME 4214.64 LOAD: AVG 0.118055 MAX 0.198128 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 4214.64 LOAD: AVG 0.118055 MAX 0.198128 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 4214.64 LOAD: AVG 0.118055 MAX 0.198128 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 4214.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4214.65 PRESSURE: 1416400 -90.853 -16.7086 63.9864 -16.7075 -15.5047 83.3768 63.9857 83.3773 111.2 GPRESSURE: 1416400 -68.7165 56.2057 21.2514 -82.3585 10.9666 32.9579 61.9824 77.8747 162.339 PRESSAVG: 1416400 -69.0772 -10.7481 -6.7923 -10.7482 17.6435 -15.0152 -6.79238 -15.0152 16.1347 GPRESSAVG: 1416400 -69.4292 -8.94888 -3.13774 -9.92595 18.0158 -13.6201 -8.5441 -15.1344 16.2642 TIMING: 1416400 CPU: 4211.52, 0.00301364/step Wall: 4211.52, 0.00301364/step, 2.99991 hours remaining, 205.941406 MB of memory in use. ENERGY: 1416400 764.2948 2073.3452 1962.1305 112.3284 -206963.7343 18191.4146 0.0000 0.0000 34247.1764 -149613.0444 299.0891 -183860.2208 -149520.8811 298.4230 1.6142 34.8629 558037.3681 -11.7664 -11.7164 PRESSURE: 1416600 242.616 -24.7239 -37.4519 -24.724 121.43 35.3019 -37.4542 35.3015 170.772 GPRESSURE: 1416600 285.307 -46.7848 18.9389 6.6237 177.638 76.0974 7.13837 32.783 169.235 PRESSAVG: 1416600 22.8576 14.6385 -8.73705 14.6385 -28.1683 -14.5397 -8.73704 -14.5397 16.3955 GPRESSAVG: 1416600 22.2778 13.458 -12.2433 15.5674 -27.8126 -14.0911 -9.23048 -14.9157 17.4534 TIMING: 1416600 CPU: 4212.11, 0.00295292/step Wall: 4212.11, 0.00295292/step, 2.9393 hours remaining, 205.941406 MB of memory in use. ENERGY: 1416600 743.8070 2077.2755 1945.7837 109.8012 -207039.6266 18298.5309 0.0000 0.0000 34323.5582 -149540.8702 299.7562 -183864.4284 -149441.9996 298.3789 178.2726 210.7267 557100.8890 3.6949 3.9729 PRESSURE: 1416800 -48.0707 -115.099 163.236 -115.098 -20.3539 61.5226 163.237 61.522 -92.5805 GPRESSURE: 1416800 -10.164 -123.809 137.741 -56.9361 -7.16225 165.35 138.198 -22.6871 -51.0879 PRESSAVG: 1416800 -37.0174 -12.5549 -18.815 -12.555 83.2658 26.56 -18.815 26.5601 -28.8102 GPRESSAVG: 1416800 -36.2668 -13.1781 -15.9462 -12.5342 82.4614 26.08 -19.2716 26.0849 -28.8308 TIMING: 1416800 CPU: 4212.7, 0.00294495/step Wall: 4212.7, 0.00294495/step, 2.9312 hours remaining, 205.941406 MB of memory in use. ENERGY: 1416800 747.5891 2082.1772 1948.8223 113.2913 -206100.4737 17648.8695 0.0000 0.0000 34168.8876 -149390.8367 298.4054 -183559.7244 -149299.8953 299.0335 -53.6684 -22.8047 557270.9666 5.8127 5.7880 PRESSURE: 1417000 -95.8977 116.925 -57.9927 116.924 -212.33 -199.493 -57.9934 -199.494 -38.8804 GPRESSURE: 1417000 -101.034 65.1577 6.32954 132.826 -153.167 -136.521 -126.837 -267.748 8.56123 PRESSAVG: 1417000 -51.456 20.9798 19.9121 20.9797 28.9354 30.904 19.912 30.904 31.836 GPRESSAVG: 1417000 -51.6473 20.1899 19.4004 21.673 29.2654 31.7084 19.0593 31.8083 31.7661 TIMING: 1417000 CPU: 4213.3, 0.00297609/step Wall: 4213.3, 0.00297609/step, 2.96204 hours remaining, 205.941406 MB of memory in use. ENERGY: 1417000 731.8920 2146.7661 1960.9352 105.4024 -206378.7982 17787.7581 0.0000 0.0000 34066.8704 -149579.1739 297.5145 -183646.0444 -149482.7882 298.6015 -115.7029 -81.8797 557653.6622 3.1052 3.1281 PRESSURE: 1417200 -191.82 67.971 187.218 67.9724 43.8433 -162.629 187.219 -162.629 270.16 GPRESSURE: 1417200 -79.2357 63.0108 154.768 131.807 8.92664 -237.303 113.795 -129.764 289.493 PRESSAVG: 1417200 -34.7833 -29.0157 -7.8731 -29.0156 -9.86054 0.995218 -7.87302 0.995223 66.1172 GPRESSAVG: 1417200 -33.7756 -28.144 -9.75921 -29.6269 -11.1207 -1.38062 -6.59864 1.36216 66.2607 TIMING: 1417200 CPU: 4213.88, 0.00293951/step Wall: 4213.88, 0.00293951/step, 2.92547 hours remaining, 205.941406 MB of memory in use. ENERGY: 1417200 739.9348 2049.7373 1932.7061 114.4600 -206655.5962 18133.0488 0.0000 0.0000 34193.1100 -149492.5992 298.6169 -183685.7092 -149396.1757 298.2501 40.7278 73.0611 557911.9088 7.1578 7.1214 PRESSURE: 1417400 48.5038 -95.0514 -75.2096 -95.0535 -20.9167 79.2042 -75.2107 79.2045 172.602 GPRESSURE: 1417400 130.398 -51.1607 1.61532 -81.9992 -22.4655 92.1319 -115.394 100.048 179.625 PRESSAVG: 1417400 21.9779 36.0769 49.8993 36.0768 -39.5326 -32.7035 49.8992 -32.7036 19.1301 GPRESSAVG: 1417400 20.7463 35.6751 51.1365 36.2031 -38.7009 -30.987 51.6279 -31.4252 19.5376 TIMING: 1417400 CPU: 4214.47, 0.00294611/step Wall: 4214.47, 0.00294611/step, 2.93187 hours remaining, 205.941406 MB of memory in use. ENERGY: 1417400 734.6744 2091.1680 1990.7274 111.5516 -206524.4021 17917.0157 0.0000 0.0000 34272.6059 -149406.6590 299.3112 -183679.2650 -149312.6359 298.1113 66.7295 95.8524 556667.1597 0.5251 0.5277 PRESSURE: 1417600 195.289 147.948 45.8062 147.947 33.1361 176.203 45.8071 176.204 24.8231 GPRESSURE: 1417600 229.491 127.69 1.06801 112.455 94.2479 167.163 22.4619 178.521 32.346 PRESSAVG: 1417600 -0.868768 7.63671 -21.4704 7.63667 -65.2975 1.38537 -21.4703 1.38545 0.315763 GPRESSAVG: 1417600 -0.679738 8.69111 -21.6678 6.72128 -65.0911 2.62495 -22.2319 -0.375577 0.319749 TIMING: 1417600 CPU: 4215.07, 0.00297751/step Wall: 4215.07, 0.00297751/step, 2.96295 hours remaining, 205.941406 MB of memory in use. ENERGY: 1417600 728.9148 2104.2992 1950.5817 116.8890 -206475.3356 17869.1384 0.0000 0.0000 34227.3481 -149478.1643 298.9159 -183705.5124 -149383.9481 298.5647 84.4162 118.6950 556363.8505 -21.9502 -21.8170 PRESSURE: 1417800 157.515 22.4506 -17.7558 22.4514 271.836 138.37 -17.7567 138.369 3.46534 GPRESSURE: 1417800 164.978 36.8182 23.9368 61.4679 303.297 187.664 -43.9473 99.1184 71.2571 PRESSAVG: 1417800 97.9368 10.0305 19.3149 10.0304 -85.9859 79.3747 19.3151 79.3747 0.208428 GPRESSAVG: 1417800 97.7175 9.05787 19.2774 11.4391 -85.989 77.0801 18.5688 79.2656 0.322924 TIMING: 1417800 CPU: 4215.66, 0.00296121/step Wall: 4215.66, 0.00296121/step, 2.94657 hours remaining, 205.941406 MB of memory in use. ENERGY: 1417800 742.1239 2131.2427 1952.2011 105.9106 -206732.6736 18149.5037 0.0000 0.0000 34116.5807 -149535.1109 297.9486 -183651.6916 -149452.2850 298.0418 144.2723 179.8439 555758.7452 4.0531 4.0171 PRESSURE: 1418000 -107.834 -79.0236 -80.4571 -79.0235 -317.135 42.5176 -80.4567 42.5187 108.907 GPRESSURE: 1418000 -77.3532 -20.8593 -99.2403 -25.0947 -213.318 27.7658 -45.6287 98.3453 61.7657 PRESSAVG: 1418000 36.7244 6.26098 -48.9914 6.26103 -67.3715 40.095 -48.9914 40.095 -13.1117 GPRESSAVG: 1418000 36.9142 7.19828 -48.6849 6.41306 -67.4965 42.2231 -50.1583 40.0751 -13.386 TIMING: 1418000 CPU: 4216.25, 0.0029677/step Wall: 4216.25, 0.0029677/step, 2.95286 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: 1418000 779.3711 2148.4960 1957.0651 114.6058 -206355.2434 17875.6773 0.0000 0.0000 34146.6370 -149333.3912 298.2111 -183480.0281 -149237.7003 298.3029 -105.3538 -76.3018 558060.4846 -14.5863 -14.6561 PRESSURE: 1418200 -106.196 -89.2896 56.1406 -89.29 15.7394 59.5049 56.1415 59.5045 -187.355 GPRESSURE: 1418200 -136.553 -70.414 144.678 -90.8115 76.5806 71.8861 19.6619 -5.65985 -122.42 PRESSAVG: 1418200 -71.1156 -31.6231 -25.3611 -31.6231 -11.086 4.94979 -25.3611 4.9498 77.4591 GPRESSAVG: 1418200 -71.598 -32.1215 -26.7729 -33.5019 -11.2837 3.28391 -24.3688 6.39859 77.8632 TIMING: 1418200 CPU: 4216.85, 0.00296333/step Wall: 4216.85, 0.00296333/step, 2.94835 hours remaining, 205.941406 MB of memory in use. ENERGY: 1418200 757.4942 2062.3579 1958.5471 109.3608 -206229.4307 17813.8701 0.0000 0.0000 34102.6260 -149425.1745 297.8267 -183527.8005 -149325.9751 297.9609 -92.6041 -60.7973 558469.5027 -1.5809 -1.6729 PRESSURE: 1418400 69.2177 -52.4314 -107.805 -52.4322 -293.837 34.9329 -107.804 34.933 119.481 GPRESSURE: 1418400 108.738 -77.9431 -79.2878 -64.1034 -261.858 -26.24 -118.075 91.094 144.91 PRESSAVG: 1418400 8.31363 -29.6783 55.0454 -29.6783 17.8917 29.106 55.0454 29.1059 23.7215 GPRESSAVG: 1418400 9.06068 -29.39 54.9444 -30.1954 17.7436 29.3014 54.3933 25.9523 23.4145 TIMING: 1418400 CPU: 4217.44, 0.00297124/step Wall: 4217.44, 0.00297124/step, 2.95606 hours remaining, 205.941406 MB of memory in use. ENERGY: 1418400 781.3726 2064.8723 1961.9765 112.8306 -206155.8217 17739.7138 0.0000 0.0000 34169.2778 -149325.7782 298.4088 -183495.0560 -149238.8089 298.4020 -35.0462 -2.7368 557171.2308 16.6423 16.7396 PRESSURE: 1418600 -79.3671 14.205 -67.7153 14.2062 -232.635 -59.0188 -67.7144 -59.0173 105.485 GPRESSURE: 1418600 -63.6473 -77.4453 -53.318 107.381 -187.747 59.2933 -168.801 -80.1475 122.392 PRESSAVG: 1418600 -24.2444 67.4919 6.28789 67.4919 9.62222 3.13766 6.28792 3.13762 14.7616 GPRESSAVG: 1418600 -25.1264 66.4023 8.11696 68.7643 9.99242 4.36754 5.83836 5.31384 15.0891 TIMING: 1418600 CPU: 4218.03, 0.00296115/step Wall: 4218.03, 0.00296115/step, 2.94585 hours remaining, 205.941406 MB of memory in use. ENERGY: 1418600 762.1711 2054.5144 1948.3873 111.4116 -206040.5047 17694.8240 0.0000 0.0000 34073.6534 -149395.5428 297.5737 -183469.1962 -149290.7064 298.8188 -68.8393 -43.0008 557353.4865 0.0465 -0.0150 PRESSURE: 1418800 56.3411 -19.0815 -100.262 -19.082 -49.7301 -87.7038 -100.262 -87.7039 33.3009 GPRESSURE: 1418800 82.4889 2.77343 -163.5 51.7318 -86.8592 -84.146 -150.527 -38.6334 132.529 PRESSAVG: 1418800 -34.2313 32.6625 -20.6297 32.6624 -54.998 -41.0504 -20.6297 -41.0505 86.7661 GPRESSAVG: 1418800 -32.6877 32.853 -21.9025 34.3911 -54.9278 -41.7414 -19.4742 -39.3831 84.5392 TIMING: 1418800 CPU: 4218.62, 0.00294948/step Wall: 4218.62, 0.00294948/step, 2.93408 hours remaining, 205.941406 MB of memory in use. ENERGY: 1418800 705.3852 2075.4587 1963.7381 101.4250 -206169.3888 17583.0791 0.0000 0.0000 34322.3999 -149417.9028 299.7461 -183740.3027 -149322.0066 298.5281 13.3040 42.7197 556044.4133 -0.8211 -1.0254 PRESSURE: 1419000 -12.7287 21.0611 26.2069 21.0615 -109.081 11.9005 26.2083 11.9008 -46.972 GPRESSURE: 1419000 -62.7688 129.096 51.2418 -49.9857 -18.3851 -31.6573 -5.5395 37.416 8.66393 PRESSAVG: 1419000 62.8818 8.80928 19.9969 8.8092 -15.4164 -11.3363 19.9968 -11.3363 -13.1745 GPRESSAVG: 1419000 61.0504 8.95062 19.3197 7.59424 -15.5189 -9.90619 20.5184 -13.2316 -11.5904 TIMING: 1419000 CPU: 4219.21, 0.00295504/step Wall: 4219.21, 0.00295504/step, 2.93944 hours remaining, 205.941406 MB of memory in use. ENERGY: 1419000 719.4565 2060.9927 1943.9095 111.7163 -205862.7372 17598.9881 0.0000 0.0000 34132.8922 -149294.7818 298.0910 -183427.6740 -149197.9019 298.4202 -56.2607 -24.1633 558005.8858 11.4303 11.3137 PRESSURE: 1419200 -52.5379 43.1851 12.0476 43.1853 -105.019 241.695 12.0473 241.694 47.6368 GPRESSURE: 1419200 -37.5254 5.15001 -2.22221 72.3863 -45.7139 234.158 -9.45579 238.281 78.0447 PRESSAVG: 1419200 34.5809 0.687796 8.49826 0.687854 -0.24469 -27.5915 8.49824 -27.5915 20.3988 GPRESSAVG: 1419200 35.612 1.66785 11.0855 -0.708963 0.101599 -28.4949 6.32523 -25.9467 19.6556 TIMING: 1419200 CPU: 4219.81, 0.0029587/step Wall: 4219.81, 0.0029587/step, 2.94292 hours remaining, 205.941406 MB of memory in use. ENERGY: 1419200 737.6728 2073.7946 1948.1566 102.4849 -206358.5878 17780.9075 0.0000 0.0000 34434.8888 -149280.6826 300.7284 -183715.5714 -149187.9300 298.7487 -36.6401 -1.7315 557097.5403 18.2450 18.4564 PRESSURE: 1419400 -109.661 55.0554 84.2646 55.0547 -153.329 38.8048 84.2641 38.8036 -33.1939 GPRESSURE: 1419400 -125.892 62.829 95.3167 28.899 -108.336 53.2381 152.35 -3.27727 26.4056 PRESSAVG: 1419400 -38.0761 42.4118 38.5063 42.4118 23.8538 1.38892 38.5063 1.38889 27.2166 GPRESSAVG: 1419400 -38.1163 40.3886 39.2494 43.5184 24.1669 1.45175 39.0372 3.30497 26.8993 TIMING: 1419400 CPU: 4220.4, 0.00295405/step Wall: 4220.4, 0.00295405/step, 2.93814 hours remaining, 205.941406 MB of memory in use. ENERGY: 1419400 710.2179 2052.6461 1979.8446 104.8123 -206235.0109 17784.4312 0.0000 0.0000 34192.2610 -149410.7978 298.6095 -183603.0588 -149311.5836 299.1038 -98.7280 -69.2742 558418.4854 4.3314 4.3166 PRESSURE: 1419600 -239.002 -48.7265 -12.0201 -48.7272 -96.0324 140.678 -12.0196 140.68 89.5057 GPRESSURE: 1419600 -188.82 -68.2854 52.6893 -20.6037 -67.968 163.209 -43.2878 139.07 102.998 PRESSAVG: 1419600 12.488 12.2406 16.071 12.2406 -3.88251 16.6827 16.071 16.6827 11.7626 GPRESSAVG: 1419600 12.5832 11.668 13.709 12.7455 -5.75995 15.9511 16.7219 13.3202 13.178 TIMING: 1419600 CPU: 4220.99, 0.00294417/step Wall: 4220.99, 0.00294417/step, 2.92814 hours remaining, 205.941406 MB of memory in use. ENERGY: 1419600 717.4167 2048.5900 1971.7122 129.6048 -206197.3829 17765.2555 0.0000 0.0000 34066.9041 -149497.8995 297.5147 -183564.8036 -149400.6868 298.2490 -81.8428 -51.2635 557715.3521 6.7894 6.6671 PRESSURE: 1419800 -98.3313 112.78 11.5395 112.78 104.165 38.7042 11.5398 38.7022 -357.508 GPRESSURE: 1419800 -135.838 152.978 91.4827 124.799 131.345 23.4865 -14.304 17.7245 -247.963 PRESSAVG: 1419800 14.6053 -9.14301 40.3552 -9.143 -34.0571 -57.5248 40.3553 -57.525 -6.95453 GPRESSAVG: 1419800 15.3722 -8.16186 42.5525 -11.0169 -34.2112 -58.1537 39.2743 -54.393 -7.22524 TIMING: 1419800 CPU: 4221.58, 0.0029582/step Wall: 4221.58, 0.0029582/step, 2.94193 hours remaining, 205.941406 MB of memory in use. ENERGY: 1419800 737.0055 2089.2382 1957.7641 124.0369 -205936.1999 17551.7883 0.0000 0.0000 33970.4273 -149505.9398 296.6722 -183476.3671 -149409.5148 298.0726 -117.2246 -84.1520 557352.6005 -8.8021 -8.6881 PRESSURE: 1420000 130.274 -85.7196 -5.07362 -85.7198 -274.658 -85.9097 -5.07507 -85.9092 207.188 GPRESSURE: 1420000 118.134 -128.855 -57.647 -72.1843 -196.905 -44.3404 -35.8879 -47.3529 243.553 PRESSAVG: 1420000 37.4299 -4.16584 67.5388 -4.16589 36.1224 12.5234 67.5389 12.5235 -52.7273 GPRESSAVG: 1420000 36.8443 -4.54155 66.1328 -2.06282 36.5608 11.9365 69.7946 12.0452 -52.8124 TIMING: 1420000 CPU: 4222.17, 0.0029534/step Wall: 4222.17, 0.0029534/step, 2.93699 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: 1420000 691.9514 2066.8132 1950.9041 111.2960 -206436.2943 17965.0699 0.0000 0.0000 34272.7241 -149377.5356 299.3122 -183650.2597 -149276.5638 299.0193 20.9346 54.9272 557862.8019 6.9417 6.8642 PRESSURE: 1420200 -86.6055 -35.8295 67.2503 -35.8282 -171.976 -40.8187 67.2508 -40.8189 -144.723 GPRESSURE: 1420200 -57.8064 17.198 56.0536 -65.6977 -132.118 -26.6969 5.75438 -50.2719 -108.026 PRESSAVG: 1420200 29.2896 36.0573 40.2999 36.0573 -31.7567 19.4418 40.2999 19.4418 19.8749 GPRESSAVG: 1420200 29.2941 36.573 40.4436 36.0678 -31.8718 21.1699 38.2759 18.7232 20.0822 TIMING: 1420200 CPU: 4222.76, 0.00295912/step Wall: 4222.76, 0.00295912/step, 2.94252 hours remaining, 205.941406 MB of memory in use. ENERGY: 1420200 721.9632 2041.0743 1941.4381 116.7735 -206147.4563 17714.1044 0.0000 0.0000 34303.8619 -149308.2408 299.5842 -183612.1028 -149213.0392 298.0524 -134.4350 -99.3168 559741.8059 5.8026 5.8349 LDB: ============= START OF LOAD BALANCING ============== 4226.19 LDB: ============== END OF LOAD BALANCING =============== 4226.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4226.19 LDB: ============= START OF LOAD BALANCING ============== 4226.49 LDB: Largest compute 4847 load 0.028317 is 24.0% of average load 0.118015 LDB: Average compute 0.001739 is 1.5% of average load 0.118015 LDB: TIME 4226.49 LOAD: AVG 0.118015 MAX 0.200087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 4226.49 LOAD: AVG 0.118015 MAX 0.200087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: TIME 4226.49 LOAD: AVG 0.118015 MAX 0.200087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4226.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4226.5 PRESSURE: 1420400 -89.6013 -72.8024 276.225 -72.8037 -30.5128 152.14 276.224 152.14 -116.978 GPRESSURE: 1420400 -98.9275 -115.936 217.063 -112.115 -2.85167 130.858 201.841 67.5149 -40.7429 PRESSAVG: 1420400 -12.9319 -50.7068 16.1613 -50.7068 60.4617 3.57442 16.1612 3.57441 -16.4531 GPRESSAVG: 1420400 -12.5155 -52.7162 14.3113 -50.6837 59.9794 2.93004 16.6158 3.52602 -15.9092 TIMING: 1420400 CPU: 4223.37, 0.00304061/step Wall: 4223.37, 0.00304061/step, 3.02338 hours remaining, 205.941406 MB of memory in use. ENERGY: 1420400 775.2069 2066.9620 1943.5630 109.3758 -206267.5182 17814.5600 0.0000 0.0000 34318.1521 -149239.6984 299.7090 -183557.8505 -149145.7862 298.9444 -79.0308 -47.5074 558868.2259 10.3589 10.5182 PRESSURE: 1420600 103.494 -3.37068 -150.534 -3.37049 263.98 -175.977 -150.534 -175.978 -205.291 GPRESSURE: 1420600 130.282 -14.6881 -98.8785 -38.3055 269.696 -146.867 -180.951 -191.304 -145.074 PRESSAVG: 1420600 40.8043 -4.20948 3.18473 -4.20952 -15.5864 28.2197 3.18481 28.2197 -21.0719 GPRESSAVG: 1420600 41.1169 -2.25301 4.29049 -4.70167 -15.0082 27.1801 4.85749 30.4438 -22.1733 TIMING: 1420600 CPU: 4223.96, 0.00294916/step Wall: 4223.96, 0.00294916/step, 2.93228 hours remaining, 205.941406 MB of memory in use. ENERGY: 1420600 768.4271 2099.8146 1969.8120 111.2248 -206225.6994 17932.6764 0.0000 0.0000 34107.5621 -149236.1825 297.8698 -183343.7446 -149138.7709 298.6784 54.0609 84.9679 556327.5481 1.3820 1.3118 PRESSURE: 1420800 -47.9644 129.095 30.2675 129.095 -82.5708 41.3117 30.268 41.3118 28.3173 GPRESSURE: 1420800 -30.7872 36.4881 78.4487 210.068 -39.4883 41.5079 10.4692 75.7954 67.6442 PRESSAVG: 1420800 19.9887 -35.3349 23.3725 -35.3351 -28.8918 37.3515 23.3724 37.3515 35.8259 GPRESSAVG: 1420800 19.7274 -34.5563 24.1462 -35.8204 -29.1814 39.3695 22.1684 33.6468 36.0233 TIMING: 1420800 CPU: 4224.55, 0.00294852/step Wall: 4224.55, 0.00294852/step, 2.93149 hours remaining, 205.941406 MB of memory in use. ENERGY: 1420800 695.4103 2052.5065 1971.3033 124.8971 -206304.2769 17994.4608 0.0000 0.0000 34378.3377 -149087.3613 300.2346 -183465.6990 -148983.5775 299.1675 -34.0726 -0.8771 557888.2753 8.9742 8.8564 PRESSURE: 1421000 -138.018 134.776 -122.626 134.777 -344.039 -125.8 -122.628 -125.798 -75.053 GPRESSURE: 1421000 -111.247 115.485 -63.3112 145.444 -270.148 -122.998 -106.853 -67.5645 -81.64 PRESSAVG: 1421000 -27.6448 4.58716 -27.2837 4.58724 -5.72702 -8.75087 -27.2837 -8.75082 5.11813 GPRESSAVG: 1421000 -26.9543 4.50695 -28.1832 4.76368 -4.6417 -9.68635 -26.8514 -8.02247 3.19343 TIMING: 1421000 CPU: 4225.14, 0.00296506/step Wall: 4225.14, 0.00296506/step, 2.94776 hours remaining, 205.941406 MB of memory in use. ENERGY: 1421000 754.1766 2096.7262 1946.5584 103.2636 -206031.9445 17562.1258 0.0000 0.0000 34386.2721 -149182.8218 300.3039 -183569.0938 -149081.1939 299.5295 -185.7033 -154.3449 557716.4792 -9.4179 -9.4675 PRESSURE: 1421200 -158.21 43.5576 75.5813 43.5571 -283.96 -43.1457 75.5797 -43.1472 -267.321 GPRESSURE: 1421200 -98.0194 23.4696 125.381 16.2677 -271.315 34.0605 94.3434 -39.5358 -250.76 PRESSAVG: 1421200 -4.75964 26.6822 23.1735 26.6822 -2.83303 -8.27342 23.1735 -8.27348 14.4366 GPRESSAVG: 1421200 -5.55071 25.6631 25.5086 27.4009 -3.9898 -6.19473 21.4657 -8.11971 16.3653 TIMING: 1421200 CPU: 4225.73, 0.00295727/step Wall: 4225.73, 0.00295727/step, 2.93986 hours remaining, 205.941406 MB of memory in use. ENERGY: 1421200 773.3909 2098.3921 1942.6151 110.9108 -206065.1925 17661.4308 0.0000 0.0000 34395.6773 -149082.7756 300.3860 -183478.4529 -148977.7060 299.3201 -236.4969 -206.6980 558702.1312 2.2813 2.2749 PRESSURE: 1421400 -3.90409 56.8048 110.475 56.804 48.4662 2.42881 110.475 2.42838 -30.0421 GPRESSURE: 1421400 38.3902 1.30826 67.688 131.649 89.423 42.8682 91.9334 21.6982 -14.3378 PRESSAVG: 1421400 60.1921 19.7387 -12.3783 19.7387 -10.0481 -23.9921 -12.3784 -23.9922 -28.1408 GPRESSAVG: 1421400 59.5038 21.5609 -12.7313 19.8634 -10.1867 -25.8949 -13.2794 -24.9302 -27.8067 TIMING: 1421400 CPU: 4226.33, 0.00298018/step Wall: 4226.33, 0.00298018/step, 2.96246 hours remaining, 205.941406 MB of memory in use. ENERGY: 1421400 770.3817 2048.0398 1969.9425 100.5927 -206198.9973 17832.5610 0.0000 0.0000 34388.0871 -149089.3925 300.3197 -183477.4796 -148995.2749 299.9149 4.8400 37.8251 557826.5658 7.3344 7.1701 PRESSURE: 1421600 -210.727 85.0051 -144.416 85.0043 -104.487 -98.4096 -144.417 -98.4114 -116.863 GPRESSURE: 1421600 -230.388 193.146 -136.893 -21.3896 -11.88 -55.4327 -139.89 -145.444 -101.343 PRESSAVG: 1421600 8.61314 -0.683861 -13.5693 -0.683966 -29.754 -59.8052 -13.5693 -59.8052 53.8445 GPRESSAVG: 1421600 8.56407 -1.44112 -13.7253 -2.82297 -29.9271 -58.474 -11.8684 -60.5814 53.7341 TIMING: 1421600 CPU: 4226.93, 0.00300567/step Wall: 4226.93, 0.00300567/step, 2.98764 hours remaining, 205.941406 MB of memory in use. ENERGY: 1421600 750.6688 2083.4835 1945.2635 111.8335 -206064.7592 17682.3678 0.0000 0.0000 34470.2263 -149020.9158 301.0371 -183491.1421 -148922.9927 300.1047 -144.0256 -114.5370 558305.9815 10.9012 10.7904 PRESSURE: 1421800 -122.196 72.4555 -24.0142 72.4571 -73.3149 -44.0095 -24.0152 -44.0085 -66.6774 GPRESSURE: 1421800 -37.7337 -9.4555 3.57485 187.592 -39.3019 5.71386 2.19037 -89.5029 -83.7835 PRESSAVG: 1421800 -32.2781 -48.2279 -32.7068 -48.2279 32.8225 -42.4343 -32.7068 -42.4344 -6.44222 GPRESSAVG: 1421800 -32.2442 -48.2329 -32.4583 -45.4427 32.8547 -42.1542 -33.2739 -42.3297 -7.0881 TIMING: 1421800 CPU: 4227.53, 0.00299633/step Wall: 4227.53, 0.00299633/step, 2.97819 hours remaining, 205.941406 MB of memory in use. ENERGY: 1421800 756.6422 2102.4561 1954.3398 114.1497 -205824.2092 17664.9762 0.0000 0.0000 34409.7828 -148821.8624 300.5092 -183231.6452 -148725.6636 299.5606 -87.3962 -53.6064 557448.3405 -1.9659 -2.1592 PRESSURE: 1422000 -133.575 80.3717 -75.9085 80.3714 65.8255 -140.122 -75.908 -140.121 36.32 GPRESSURE: 1422000 -85.3067 108.306 -106.094 73.1401 62.5572 -60.8663 -68.6118 -93.5308 75.7279 PRESSAVG: 1422000 16.3551 13.2229 -69.1837 13.2229 -43.979 3.08455 -69.1837 3.08442 37.1206 GPRESSAVG: 1422000 15.9772 13.7401 -69.3526 11.4384 -43.7298 2.63265 -68.3329 3.88223 36.689 TIMING: 1422000 CPU: 4228.13, 0.0029941/step Wall: 4228.13, 0.0029941/step, 2.9758 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: 1422000 743.4225 2106.7250 1957.0553 117.1885 -205970.2751 17694.6298 0.0000 0.0000 34397.9964 -148953.2577 300.4063 -183351.2541 -148852.9339 299.4805 -10.4764 17.6595 558275.4186 3.1656 2.9788 PRESSURE: 1422200 162.7 -25.8847 75.1481 -25.8848 -111.625 122.675 75.149 122.675 298.173 GPRESSURE: 1422200 160.179 -21.2488 -3.10322 3.92944 -90.0299 70.6977 175.717 164.158 361.548 PRESSAVG: 1422200 -22.2273 22.1168 10.7805 22.1169 33.9065 7.06824 10.7806 7.06829 22.2455 GPRESSAVG: 1422200 -22.4722 21.6655 8.7399 21.947 33.2193 5.8335 12.2739 4.75687 22.8143 TIMING: 1422200 CPU: 4228.72, 0.0029762/step Wall: 4228.72, 0.0029762/step, 2.95785 hours remaining, 205.941406 MB of memory in use. ENERGY: 1422200 744.5547 2048.0042 1917.9148 115.9761 -205963.5914 17880.9056 0.0000 0.0000 34247.0211 -149009.2149 299.0878 -183256.2360 -148916.7107 299.6887 116.4157 143.8990 558775.8246 11.3082 11.1871 PRESSURE: 1422400 -94.486 -103.992 -148.13 -103.994 54.7804 189.654 -148.129 189.655 35.7995 GPRESSURE: 1422400 -100.764 -179.931 -114.75 -54.8526 105.588 244.479 -151.978 152.812 87.8026 PRESSAVG: 1422400 -15.0402 36.1822 -23.1382 36.1822 -32.4357 63.5958 -23.1382 63.5957 48.8643 GPRESSAVG: 1422400 -14.4176 35.3571 -22.2945 38.9825 -31.5064 66.3938 -25.8289 65.0486 47.9508 TIMING: 1422400 CPU: 4229.32, 0.00298604/step Wall: 4229.32, 0.00298604/step, 2.96746 hours remaining, 205.941406 MB of memory in use. ENERGY: 1422400 738.4301 2042.1366 1948.5780 111.9457 -205954.4313 17743.7000 0.0000 0.0000 34432.9837 -148936.6572 300.7118 -183369.6408 -148838.2561 299.3509 -1.3020 30.8754 558649.1827 0.4628 0.6756 PRESSURE: 1422600 29.378 51.1178 -70.6461 51.1169 -52.8115 -39.7012 -70.6461 -39.7011 -179.26 GPRESSURE: 1422600 86.7461 116.649 -71.2113 103.449 -30.7552 -150.492 -92.6201 -17.7808 -169.881 PRESSAVG: 1422600 36.1511 54.0068 -41.6616 54.0068 104.198 37.7436 -41.6615 37.7437 -123.105 GPRESSAVG: 1422600 36.0693 54.0251 -40.92 52.1614 104.342 35.8791 -43.0734 37.5737 -122.982 TIMING: 1422600 CPU: 4229.92, 0.00298706/step Wall: 4229.92, 0.00298706/step, 2.96831 hours remaining, 205.941406 MB of memory in use. ENERGY: 1422600 752.5780 2099.5778 1967.8427 107.5405 -206114.3472 17855.0551 0.0000 0.0000 34380.0039 -148951.7492 300.2491 -183331.7531 -148852.5447 300.0802 -67.5643 -37.9635 559094.1484 5.7481 5.8097 PRESSURE: 1422800 171.255 42.6144 -0.682517 42.6133 32.7023 19.4303 -0.683578 19.4301 -162.34 GPRESSURE: 1422800 153.762 39.5 -111.13 -32.1581 84.8369 52.133 68.0396 1.87296 -90.3754 PRESSAVG: 1422800 -3.22303 -1.42194 17.9457 -1.4219 -13.4555 48.968 17.9458 48.9681 4.72087 GPRESSAVG: 1422800 -3.37524 -0.483128 15.2196 -0.496613 -13.548 49.6792 22.5867 49.2055 5.05042 TIMING: 1422800 CPU: 4230.51, 0.00296837/step Wall: 4230.51, 0.00296837/step, 2.94957 hours remaining, 205.941406 MB of memory in use. ENERGY: 1422800 773.1776 2031.9354 1947.4179 117.2955 -206189.9121 17938.2184 0.0000 0.0000 34391.1473 -148990.7201 300.3464 -183381.8673 -148893.6141 299.6264 13.8723 49.4077 558155.6135 -3.9859 -3.9576 PRESSURE: 1423000 329.384 -48.0694 -16.2265 -48.0693 -155.295 142.704 -16.228 142.705 178.889 GPRESSURE: 1423000 275.526 31.1846 23.4515 -98.2234 -94.5901 14.5021 -38.7461 169.435 268.601 PRESSAVG: 1423000 30.6066 -21.2789 33.3725 -21.2789 7.29501 21.4425 33.3725 21.4425 10.2954 GPRESSAVG: 1423000 29.0179 -21.2939 36.9776 -21.6973 8.86898 23.0058 31.4907 20.7086 9.93016 TIMING: 1423000 CPU: 4231.1, 0.0029662/step Wall: 4231.1, 0.0029662/step, 2.94725 hours remaining, 205.941406 MB of memory in use. ENERGY: 1423000 769.1812 2082.0034 1958.2922 109.7406 -206412.1016 17978.5399 0.0000 0.0000 34588.2932 -148926.0511 302.0682 -183514.3443 -148828.0150 300.3641 117.6595 149.8455 556565.7078 16.0657 15.9390 PRESSURE: 1423200 -124.685 -109.901 -34.9279 -109.901 -22.3525 48.6811 -34.9282 48.6793 27.3798 GPRESSURE: 1423200 -74.4033 -143.242 -73.9238 -135.081 22.9642 -58.6587 62.5108 98.3689 13.0154 PRESSAVG: 1423200 -32.7054 -5.92941 13.911 -5.92949 23.2813 10.4989 13.911 10.4988 -8.21124 GPRESSAVG: 1423200 -32.1714 -6.74177 12.0629 -7.21222 22.4436 8.05141 15.3422 12.2784 -7.96551 TIMING: 1423200 CPU: 4231.7, 0.00296637/step Wall: 4231.7, 0.00296637/step, 2.94725 hours remaining, 205.941406 MB of memory in use. ENERGY: 1423200 763.6638 2060.6497 1928.9376 117.3932 -206028.3082 17712.4361 0.0000 0.0000 34452.6780 -148992.5498 300.8838 -183445.2278 -148894.9277 300.2016 -39.8859 -12.8079 558885.3619 -5.8784 -5.8978 PRESSURE: 1423400 -406.938 -158.416 62.745 -158.418 -49.2114 137.889 62.7469 137.889 39.4429 GPRESSURE: 1423400 -377.809 -175.466 47.7677 -193.444 -1.21459 75.5447 142.762 224.673 44.4895 PRESSAVG: 1423400 -131.278 15.6529 17.2273 15.653 61.3207 1.41021 17.2274 1.41027 2.23279 GPRESSAVG: 1423400 -130.486 16.5521 17.6146 17.9264 60.3093 1.86053 15.0255 1.65792 2.73486 TIMING: 1423400 CPU: 4232.29, 0.00298172/step Wall: 4232.29, 0.00298172/step, 2.96234 hours remaining, 205.941406 MB of memory in use. ENERGY: 1423400 755.5419 2088.6674 1944.6887 117.8411 -205968.5295 17598.6358 0.0000 0.0000 34129.5881 -149333.5665 298.0622 -183463.1546 -149240.8457 299.4616 -138.9021 -111.5114 557526.2578 -22.5747 -22.4807 PRESSURE: 1423600 -214.813 128.258 -134.134 128.259 89.8389 -3.38661 -134.133 -3.38743 -39.2841 GPRESSURE: 1423600 -214.338 128.71 -152.595 22.6846 152.867 113.92 -128.402 -55.8066 6.48824 PRESSAVG: 1423600 -46.7455 10.6023 4.61563 10.6023 62.7066 41.2091 4.61564 41.2091 10.4899 GPRESSAVG: 1423600 -46.6476 9.90494 4.14956 10.9241 62.4261 40.6224 5.98366 40.4143 10.929 TIMING: 1423600 CPU: 4232.89, 0.00296356/step Wall: 4232.89, 0.00296356/step, 2.94413 hours remaining, 205.941406 MB of memory in use. ENERGY: 1423600 738.1823 2096.8083 1948.2453 109.8916 -206121.3480 17655.2020 0.0000 0.0000 34368.0186 -149204.9998 300.1445 -183573.0184 -149099.9002 298.8973 -54.7526 -18.3276 556978.1948 8.8170 8.9025 PRESSURE: 1423800 -230.984 89.6288 37.2775 89.6287 -133.48 5.88114 37.2775 5.88097 59.6799 GPRESSURE: 1423800 -155.532 95.4722 66.0827 -0.00934712 -105.165 -0.113298 21.9447 -14.4375 50.8759 PRESSAVG: 1423800 -104.138 0.760603 -40.2244 0.76059 32.7398 8.59294 -40.2245 8.59307 31.9151 GPRESSAVG: 1423800 -103.522 1.4395 -41.1774 -0.131101 33.7308 9.16795 -40.2936 8.10899 30.1716 TIMING: 1423800 CPU: 4233.48, 0.00296072/step Wall: 4233.48, 0.00296072/step, 2.94115 hours remaining, 205.941406 MB of memory in use. ENERGY: 1423800 685.4218 2085.6875 1940.0246 108.8633 -205821.2920 17601.7923 0.0000 0.0000 34187.1718 -149212.3306 298.5651 -183399.5024 -149112.8865 299.4687 -101.5949 -69.9402 558186.8744 -13.1611 -13.2066 PRESSURE: 1424000 -19.4223 -47.6678 9.35834 -47.6689 47.6456 40.6511 9.3579 40.6502 155.551 GPRESSURE: 1424000 56.0165 -45.8004 -63.0631 -18.3653 40.9628 -5.65179 109.535 32.7489 178.05 PRESSAVG: 1424000 -2.90061 -4.94122 31.3606 -4.94129 -2.26261 -9.91464 31.3606 -9.91452 -21.1309 GPRESSAVG: 1424000 -3.08077 -5.1554 31.9043 -5.80732 -2.43703 -10.9056 31.7134 -7.80045 -21.7262 TIMING: 1424000 CPU: 4234.07, 0.00295779/step Wall: 4234.07, 0.00295779/step, 2.93807 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: 1424000 733.5151 2099.1020 1955.4988 139.1703 -206085.0465 17743.0472 0.0000 0.0000 34234.5198 -149180.1933 298.9786 -183414.7131 -149091.7885 299.3546 61.2583 91.6766 556541.6548 -8.7647 -9.0813 PRESSURE: 1424200 -108.055 64.6618 -13.8884 64.6612 81.0721 130.745 -13.8891 130.745 -22.9647 GPRESSURE: 1424200 -59.0604 46.4038 -69.0523 98.9874 82.4474 106.631 -9.10478 120.971 21.3193 PRESSAVG: 1424200 47.8107 -8.07538 20.3079 -8.07531 -0.69828 -7.40547 20.3079 -7.40558 -28.6867 GPRESSAVG: 1424200 47.2938 -7.87132 21.8968 -8.28355 -2.31083 -6.1707 19.9079 -9.68878 -26.4578 TIMING: 1424200 CPU: 4234.66, 0.00296462/step Wall: 4234.66, 0.00296462/step, 2.94469 hours remaining, 205.941406 MB of memory in use. ENERGY: 1424200 746.7234 2089.1037 1948.3073 108.4339 -206026.1184 17682.5633 0.0000 0.0000 34181.0711 -149269.9157 298.5118 -183450.9868 -149178.8456 299.2523 -16.6492 14.9021 556605.2250 6.1419 6.1751 LDB: ============= START OF LOAD BALANCING ============== 4238.09 LDB: ============== END OF LOAD BALANCING =============== 4238.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4238.09 LDB: ============= START OF LOAD BALANCING ============== 4238.39 LDB: Largest compute 4847 load 0.027505 is 23.3% of average load 0.117963 LDB: Average compute 0.001732 is 1.5% of average load 0.117963 LDB: TIME 4238.39 LOAD: AVG 0.117963 MAX 0.200354 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 4238.39 LOAD: AVG 0.117963 MAX 0.200354 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.402 MB LDB: TIME 4238.39 LOAD: AVG 0.117963 MAX 0.200354 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4238.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4238.4 PRESSURE: 1424400 -117.822 -29.1651 152.555 -29.1641 -177.377 55.6445 152.555 55.644 130.094 GPRESSURE: 1424400 -31.0361 123.285 177.075 -110.084 -120.805 58.6853 207.053 -3.04015 87.236 PRESSAVG: 1424400 13.6764 -38.8735 2.55316 -38.8735 -47.9246 51.2636 2.55314 51.2635 28.2713 GPRESSAVG: 1424400 14.1902 -38.1467 2.0042 -37.4316 -47.5226 51.396 2.49787 52.8109 26.9279 TIMING: 1424400 CPU: 4235.27, 0.0030274/step Wall: 4235.27, 0.0030274/step, 3.00688 hours remaining, 205.941406 MB of memory in use. ENERGY: 1424400 741.0948 2107.0665 1921.2554 106.4928 -206273.1013 17821.0025 0.0000 0.0000 34361.1946 -149214.9948 300.0849 -183576.1893 -149116.6536 299.3861 -55.0349 -21.5349 557973.4913 -1.9923 -2.1348 PRESSURE: 1424600 25.5984 -40.4832 -121.864 -40.4829 41.73 57.3179 -121.864 57.3192 80.4627 GPRESSURE: 1424600 45.3533 -59.2105 -82.5126 -17.769 85.8265 60.3046 -91.7467 80.7317 102.687 PRESSAVG: 1424600 -30.9486 -54.1293 -16.8031 -54.1292 20.1111 -32.5051 -16.8031 -32.5051 8.38282 GPRESSAVG: 1424600 -30.7048 -54.8445 -17.7113 -54.6869 20.2163 -33.5751 -15.452 -33.1693 8.43255 TIMING: 1424600 CPU: 4235.87, 0.00298223/step Wall: 4235.87, 0.00298223/step, 2.96185 hours remaining, 206.144531 MB of memory in use. ENERGY: 1424600 768.1905 2148.0133 1966.8705 112.8358 -206296.2051 17786.4948 0.0000 0.0000 34300.6609 -149213.1392 299.5562 -183513.8001 -149121.0136 298.9568 49.2637 77.9555 557784.0367 -0.8182 -0.6853 PRESSURE: 1424800 -245.181 99.3605 -81.7883 99.3603 -116.083 -5.36083 -81.787 -5.36132 -101.816 GPRESSURE: 1424800 -235.262 21.7481 -7.0758 175.747 -77.6514 -25.8777 -127.632 -1.73919 -55.2518 PRESSAVG: 1424800 5.34546 55.4612 -31.7443 55.4612 4.42969 20.0652 -31.7443 20.0652 -30.3109 GPRESSAVG: 1424800 4.98612 55.2018 -31.3761 55.8666 4.70742 21.1975 -31.1197 21.0329 -30.1357 TIMING: 1424800 CPU: 4236.46, 0.002979/step Wall: 4236.46, 0.002979/step, 2.95848 hours remaining, 206.144531 MB of memory in use. ENERGY: 1424800 749.3484 2126.6154 1952.5327 109.1395 -206279.8512 17727.6481 0.0000 0.0000 34414.5515 -149200.0156 300.5508 -183614.5671 -149100.9488 299.0585 -154.3601 -122.7218 557954.7778 -6.8452 -6.8140 PRESSURE: 1425000 -100.522 101.272 -39.515 101.272 -114.654 80.1949 -39.5168 80.1946 -267.324 GPRESSURE: 1425000 -88.8835 87.2735 -3.29286 90.8526 -74.7383 67.3018 -70.0795 39.8202 -223.07 PRESSAVG: 1425000 63.3691 2.55784 28.7402 2.55782 4.20261 10.8933 28.7403 10.8933 -1.6636 GPRESSAVG: 1425000 63.6988 2.67569 27.8066 1.17613 3.19359 11.3302 28.6706 9.70957 -1.85733 TIMING: 1425000 CPU: 4237.05, 0.00296507/step Wall: 4237.05, 0.00296507/step, 2.94448 hours remaining, 206.144531 MB of memory in use. ENERGY: 1425000 752.7970 2101.8001 1941.3807 114.6359 -206223.7028 17703.8350 0.0000 0.0000 34372.7699 -149236.4842 300.1859 -183609.2541 -149136.5248 298.9939 -160.8334 -128.8972 558346.9084 21.9694 21.6784 PRESSURE: 1425200 -50.0521 38.1804 184.676 38.1798 -39.5064 -89.0203 184.677 -89.0225 -83.4392 GPRESSURE: 1425200 -80.8799 13.6474 150.933 47.3405 -1.95245 -104.191 142.147 -23.9558 6.39333 PRESSAVG: 1425200 57.7377 -28.627 19.836 -28.6269 -45.3289 27.5707 19.8361 27.5708 -25.6945 GPRESSAVG: 1425200 56.5563 -29.5448 22.1156 -26.1186 -44.2325 27.6472 18.7986 28.7774 -25.5087 TIMING: 1425200 CPU: 4237.65, 0.00298442/step Wall: 4237.65, 0.00298442/step, 2.96353 hours remaining, 206.144531 MB of memory in use. ENERGY: 1425200 698.0348 2083.6882 1954.6549 108.5931 -206133.2651 17603.4946 0.0000 0.0000 34267.5403 -149417.2592 299.2670 -183684.7995 -149317.3847 298.5897 -57.6659 -25.4797 557869.2834 -4.4286 -4.3950 PRESSURE: 1425400 92.9406 107.239 44.3458 107.239 -194.773 -107.167 44.3453 -107.167 100.485 GPRESSURE: 1425400 117.314 24.7025 125.276 138.203 -155.13 -117.83 -78.4412 -94.2617 134.271 PRESSAVG: 1425400 45.2637 -0.71203 57.6921 -0.712058 -55.4277 -64.6475 57.6922 -64.6476 36.8104 GPRESSAVG: 1425400 45.7452 -0.952411 56.2091 -1.83219 -55.6723 -65.8463 59.4156 -64.6635 36.6801 TIMING: 1425400 CPU: 4238.25, 0.00299529/step Wall: 4238.25, 0.00299529/step, 2.97416 hours remaining, 206.144531 MB of memory in use. ENERGY: 1425400 746.5271 2033.5051 1936.0183 104.4128 -206094.7122 17639.7616 0.0000 0.0000 33970.7737 -149663.7135 296.6752 -183634.4872 -149570.2872 297.8224 -0.4489 32.1515 555342.7041 8.8821 8.9176 PRESSURE: 1425600 -135.965 -36.6021 76.9194 -36.6028 -35.7102 48.3527 76.9197 48.3527 -153.907 GPRESSURE: 1425600 -113.608 26.1087 133.271 -105.601 11.5538 82.2959 73.0688 56.8825 -127.137 PRESSAVG: 1425600 24.2201 -18.3871 -14.9267 -18.387 -50.6051 0.507724 -14.9268 0.507702 56.739 GPRESSAVG: 1425600 24.4778 -17.0131 -13.1702 -18.5999 -50.0797 2.82526 -15.568 -2.85732 56.8888 TIMING: 1425600 CPU: 4238.85, 0.00297593/step Wall: 4238.85, 0.00297593/step, 2.95476 hours remaining, 206.144531 MB of memory in use. ENERGY: 1425600 737.9964 2094.1204 1947.6141 131.9968 -206408.6756 17623.9263 0.0000 0.0000 34330.8148 -149542.2067 299.8195 -183873.0215 -149445.4023 298.0307 -108.5272 -76.3969 556080.9371 10.1180 10.4290 PRESSURE: 1425800 101.016 -0.171354 -65.8633 -0.171314 218.421 -42.0704 -65.8635 -42.0707 67.3433 GPRESSURE: 1425800 110.535 -38.8225 -7.26017 -31.1125 236.891 -62.4025 -97.034 -76.8805 126.456 PRESSAVG: 1425800 -2.79819 10.492 23.7738 10.492 69.6604 17.8981 23.7737 17.8981 -26.1111 GPRESSAVG: 1425800 -2.58497 8.3361 24.1004 10.9504 70.0168 17.8652 22.3176 18.3501 -27.1145 TIMING: 1425800 CPU: 4239.44, 0.00297292/step Wall: 4239.44, 0.00297292/step, 2.95162 hours remaining, 206.144531 MB of memory in use. ENERGY: 1425800 757.6211 2064.3678 1989.4065 103.6000 -206777.2196 18025.1695 0.0000 0.0000 34237.3326 -149599.7221 299.0031 -183837.0547 -149497.6409 298.4828 128.9268 157.9605 555342.8080 13.5837 13.4391 PRESSURE: 1426000 -63.5283 74.3795 -38.2748 74.379 215.694 106.839 -38.2751 106.838 -259.588 GPRESSURE: 1426000 -98.4273 56.7583 -4.84329 108.024 233.833 -31.4052 -101.901 159.984 -145.568 PRESSAVG: 1426000 -15.6859 10.1014 -37.2188 10.1015 66.8474 60.1522 -37.2189 60.1524 -7.44409 GPRESSAVG: 1426000 -15.0479 12.6675 -35.9474 9.68312 66.1833 60.1216 -36.9577 62.4111 -7.07563 TIMING: 1426000 CPU: 4240.04, 0.00298061/step Wall: 4240.04, 0.00298061/step, 2.95908 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: 1426000 765.6340 2100.4832 1953.0481 116.6649 -206128.5056 17705.5063 0.0000 0.0000 33918.2628 -149568.9063 296.2166 -183487.1691 -149479.5256 298.0650 -35.8072 -3.3874 556315.4022 14.5725 14.6866 PRESSURE: 1426200 -130.629 5.5145 142.562 5.51505 -29.4571 11.8061 142.562 11.8089 -98.4719 GPRESSURE: 1426200 -133.945 11.0244 100.714 3.15935 12.5463 32.6513 197.645 86.5804 -45.8173 PRESSAVG: 1426200 -3.06525 2.61295 -51.3779 2.61295 61.9165 31.3311 -51.3779 31.3312 -30.601 GPRESSAVG: 1426200 -4.829 1.34075 -52.943 2.34971 62.9381 30.4749 -51.2353 31.1228 -30.1619 TIMING: 1426200 CPU: 4240.63, 0.00297621/step Wall: 4240.63, 0.00297621/step, 2.95455 hours remaining, 206.144531 MB of memory in use. ENERGY: 1426200 776.9873 2091.2170 1945.7418 127.4962 -206068.0056 17628.3230 0.0000 0.0000 33981.1600 -149517.0802 296.7659 -183498.2403 -149423.6629 298.2903 -86.1861 -55.7386 557526.8367 9.4167 9.3157 PRESSURE: 1426400 -180.838 59.2666 -7.53513 59.2653 -109.448 -32.0618 -7.53465 -32.0611 -338.07 GPRESSURE: 1426400 -140.937 -1.98287 22.0662 80.3856 -120.665 36.7439 -57.8977 -41.5583 -268.145 PRESSAVG: 1426400 1.42402 11.9502 -0.417633 11.9502 2.5154 3.36681 -0.417618 3.36682 7.49147 GPRESSAVG: 1426400 3.0017 11.8511 0.396142 13.345 1.25409 3.63678 0.526117 2.21957 7.44942 TIMING: 1426400 CPU: 4241.22, 0.00294086/step Wall: 4241.22, 0.00294086/step, 2.91929 hours remaining, 206.144531 MB of memory in use. ENERGY: 1426400 715.8834 2071.4261 1961.0416 105.6386 -206284.6558 17668.3088 0.0000 0.0000 34324.5312 -149437.8261 299.7647 -183762.3573 -149340.6148 297.9943 -209.4520 -176.5822 558734.1792 3.8103 3.9017 PRESSURE: 1426600 -47.4531 24.5811 -48.8255 24.5819 -124.57 49.0127 -48.8264 49.012 -287.906 GPRESSURE: 1426600 -23.1877 -12.7265 51.7534 25.0262 -48.9218 72.8173 -122.984 -3.28511 -297.862 PRESSAVG: 1426600 -0.0184413 62.0044 -3.43799 62.0044 -33.5468 -92.6781 -3.43804 -92.6781 12.8293 GPRESSAVG: 1426600 -1.15642 63.0607 -5.52707 61.301 -32.4848 -92.6922 -4.7686 -94.11 12.5367 TIMING: 1426600 CPU: 4241.81, 0.00296772/step Wall: 4241.81, 0.00296772/step, 2.94579 hours remaining, 206.144531 MB of memory in use. ENERGY: 1426600 760.8429 2093.3019 1943.9695 113.4043 -205892.3756 17595.0777 0.0000 0.0000 33996.7857 -149388.9935 296.9024 -183385.7792 -149297.2146 298.1397 -153.3095 -123.3238 558882.5773 -6.9120 -7.0348 PRESSURE: 1426800 -152.988 -172.071 119.666 -172.071 -218.343 -132.902 119.666 -132.903 122.868 GPRESSURE: 1426800 -146.675 -191.471 124.481 -174.054 -115.022 -156.156 157.864 -94.8974 111.811 PRESSAVG: 1426800 37.9455 -36.5357 32.8372 -36.5356 -36.9068 -26.2344 32.8372 -26.2344 -22.3597 GPRESSAVG: 1426800 38.5508 -36.726 34.2963 -36.1448 -36.6639 -27.1344 32.1966 -23.3033 -23.4843 TIMING: 1426800 CPU: 4242.4, 0.00294846/step Wall: 4242.4, 0.00294846/step, 2.92651 hours remaining, 206.144531 MB of memory in use. ENERGY: 1426800 701.7268 2053.2999 1956.8659 113.9193 -206107.0189 17745.9988 0.0000 0.0000 33938.0077 -149597.2005 296.3891 -183535.2083 -149493.6056 298.2420 -82.8207 -49.9619 558873.0742 -7.1070 -7.1991 PRESSURE: 1427000 121.496 -17.4915 -55.9984 -17.4911 96.2209 -56.9848 -55.9981 -56.9824 288.06 GPRESSURE: 1427000 147.836 -94.2022 -44.3853 -83.5061 123.334 -3.01339 36.5572 -182.3 329.478 PRESSAVG: 1427000 -67.9596 -33.2816 3.94997 -33.2816 16.2457 -34.0986 3.94997 -34.0986 65.0889 GPRESSAVG: 1427000 -67.8736 -33.5443 2.92626 -33.1539 15.2123 -32.1909 5.73176 -35.7541 66.1166 TIMING: 1427000 CPU: 4242.99, 0.00295798/step Wall: 4242.99, 0.00295798/step, 2.93579 hours remaining, 206.144531 MB of memory in use. ENERGY: 1427000 731.9524 2070.8410 1962.4940 114.6724 -206638.2290 18122.3787 0.0000 0.0000 34262.7946 -149373.0959 299.2255 -183635.8906 -149275.6555 297.8917 168.5922 200.2160 557380.1136 4.4583 4.4851 PRESSURE: 1427200 -285.949 46.6572 12.7817 46.6558 -113.475 -112.979 12.7829 -112.977 -74.7327 GPRESSURE: 1427200 -199.306 17.8257 63.3579 4.27807 -118.924 -138.369 54.4132 -114.039 -65.9737 PRESSAVG: 1427200 -44.6084 22.0184 17.6875 22.0184 -17.2508 -77.0973 17.6875 -77.0973 25.806 GPRESSAVG: 1427200 -44.0137 19.225 19.2577 22.3257 -17.5837 -77.9095 15.5496 -75.6812 25.7584 TIMING: 1427200 CPU: 4243.59, 0.0029674/step Wall: 4243.59, 0.0029674/step, 2.94498 hours remaining, 206.144531 MB of memory in use. ENERGY: 1427200 744.8240 2077.5884 1952.8786 101.2612 -206273.6670 17764.1176 0.0000 0.0000 34155.6837 -149477.3134 298.2901 -183632.9971 -149378.1877 298.5089 -158.0523 -128.0681 558002.6007 -12.0178 -11.9463 PRESSURE: 1427400 -146.873 -64.9683 70.7883 -64.9681 76.4618 -223.948 70.7873 -223.948 120.08 GPRESSURE: 1427400 -122.648 -27.5583 54.3291 -86.1111 127.633 -200.282 37.9111 -320.342 136.912 PRESSAVG: 1427400 9.36518 -24.7973 -34.435 -24.7973 26.8897 -27.6011 -34.435 -27.6011 11.4339 GPRESSAVG: 1427400 8.93116 -22.9746 -35.9602 -24.8658 28.2226 -25.7986 -32.0918 -29.2259 10.9327 TIMING: 1427400 CPU: 4244.18, 0.00297736/step Wall: 4244.18, 0.00297736/step, 2.9547 hours remaining, 206.144531 MB of memory in use. ENERGY: 1427400 723.6299 2042.9827 1972.3986 118.2615 -206275.9596 17757.4770 0.0000 0.0000 34293.8221 -149367.3879 299.4965 -183661.2099 -149270.4327 298.7256 16.5561 47.2993 555883.7533 15.8963 16.0288 PRESSURE: 1427600 -110.253 -124.699 26.4209 -124.699 -273.539 -31.6504 26.4209 -31.651 -10.0211 GPRESSURE: 1427600 -49.0024 -128.241 23.4642 23.319 -237.929 -105.309 26.3235 -42.6717 -5.9131 PRESSAVG: 1427600 -11.3043 5.46558 -15.9354 5.46567 32.7682 -1.32211 -15.9354 -1.3222 1.36814 GPRESSAVG: 1427600 -11.7432 5.59867 -15.0921 4.37137 32.8626 -3.33092 -15.4438 0.363694 1.60934 TIMING: 1427600 CPU: 4244.77, 0.00295534/step Wall: 4244.77, 0.00295534/step, 2.93269 hours remaining, 206.144531 MB of memory in use. ENERGY: 1427600 775.3888 2042.3437 1961.3533 118.3403 -206227.0597 17686.6040 0.0000 0.0000 34330.2072 -149312.8224 299.8142 -183643.0297 -149207.0053 298.9535 -131.2708 -97.6148 558893.8060 7.6107 7.5762 PRESSURE: 1427800 -185.395 -221.331 41.7617 -221.331 -359.006 9.66459 41.7625 9.66448 55.9361 GPRESSURE: 1427800 -169.327 -74.7683 137.771 -259.442 -278.805 17.7914 -20.319 49.4042 53.0474 PRESSAVG: 1427800 9.36968 1.63233 7.58893 1.63235 -11.7072 23.9856 7.58896 23.9855 24.741 GPRESSAVG: 1427800 8.98979 2.85266 6.71981 2.37374 -11.5376 23.8863 5.51873 23.7895 24.2661 TIMING: 1427800 CPU: 4245.37, 0.00296096/step Wall: 4245.37, 0.00296096/step, 2.93809 hours remaining, 206.144531 MB of memory in use. ENERGY: 1427800 742.8423 2065.3533 1945.8836 122.5825 -205907.1747 17567.0888 0.0000 0.0000 34363.1604 -149100.2639 300.1020 -183463.4243 -149003.1207 299.5521 -162.8217 -131.6948 557914.3223 7.4678 7.2394 PRESSURE: 1428000 -55.406 52.7341 33.5269 52.7343 259.07 -9.25727 33.5269 -9.25753 6.25992 GPRESSURE: 1428000 -19.5777 -63.3763 97.3053 43.9791 318.381 -84.8312 36.7425 -18.8186 2.6089 PRESSAVG: 1428000 -24.716 56.633 23.1776 56.6329 7.42037 -23.0779 23.1776 -23.0779 12.4298 GPRESSAVG: 1428000 -24.7934 55.7228 24.1332 58.0838 7.07251 -23.1679 22.1911 -24.656 12.7361 TIMING: 1428000 CPU: 4245.96, 0.00296857/step Wall: 4245.96, 0.00296857/step, 2.94548 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: 1428000 755.6943 2139.8023 1946.6217 123.1227 -206129.6770 17840.9614 0.0000 0.0000 34186.1702 -149137.3045 298.5563 -183323.4746 -149053.2475 299.1760 69.9746 100.4706 556683.2838 -1.6220 -1.6616 PRESSURE: 1428200 163.417 113.691 -127.521 113.693 27.6483 -160.275 -127.522 -160.274 -249.485 GPRESSURE: 1428200 91.311 72.046 -119.313 51.082 102.864 -122.594 -107.968 -266.327 -177.689 PRESSAVG: 1428200 2.19079 28.9952 -27.686 28.9951 46.1834 -15.1667 -27.686 -15.1667 -19.9054 GPRESSAVG: 1428200 2.86479 29.8312 -30.2678 27.3585 46.6612 -15.1551 -24.6946 -13.5138 -20.8744 TIMING: 1428200 CPU: 4246.55, 0.00295137/step Wall: 4246.55, 0.00295137/step, 2.92825 hours remaining, 206.144531 MB of memory in use. ENERGY: 1428200 718.1030 2098.5207 1933.1651 113.3567 -205827.9406 17668.6611 0.0000 0.0000 34199.7708 -149096.3633 298.6751 -183296.1341 -148993.3756 299.2363 -19.4733 5.4954 558096.9810 9.4896 9.5505 LDB: ============= START OF LOAD BALANCING ============== 4249.97 LDB: ============== END OF LOAD BALANCING =============== 4249.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4249.98 LDB: ============= START OF LOAD BALANCING ============== 4250.27 LDB: Largest compute 4847 load 0.028850 is 24.5% of average load 0.117986 LDB: Average compute 0.001743 is 1.5% of average load 0.117986 LDB: TIME 4250.28 LOAD: AVG 0.117986 MAX 0.196618 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 4250.28 LOAD: AVG 0.117986 MAX 0.196618 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 4250.28 LOAD: AVG 0.117986 MAX 0.196618 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: ============== END OF LOAD BALANCING =============== 4250.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 4250.28 PRESSURE: 1428400 -155.291 12.9749 84.1152 12.9748 -253.308 111.935 84.1143 111.936 -4.42505 GPRESSURE: 1428400 -134.939 -82.7845 57.8142 -28.4335 -210.081 155.639 9.22705 81.5842 34.2039 PRESSAVG: 1428400 17.6864 -31.7042 -43.2548 -31.7042 -19.4832 -15.8203 -43.2548 -15.8202 -1.09969 GPRESSAVG: 1428400 16.9513 -32.6826 -41.2692 -31.5275 -19.3466 -17.0627 -46.6226 -14.2187 -0.461079 TIMING: 1428400 CPU: 4247.15, 0.00300621/step Wall: 4247.15, 0.00300621/step, 2.98249 hours remaining, 206.710938 MB of memory in use. ENERGY: 1428400 793.3758 2168.4324 1950.5416 106.8115 -205878.1995 17626.8961 0.0000 0.0000 34383.7054 -148848.4367 300.2815 -183232.1421 -148756.7701 299.6793 -137.6747 -103.6054 556911.6363 -0.9655 -0.9521 Info: useSync: 0 useProxySync: 0 PRESSURE: 1428600 -186.217 -36.1463 -15.0337 -36.1457 -102.998 49.9826 -15.0335 49.9799 -50.0656 GPRESSURE: 1428600 -145.965 -39.6901 -36.7886 -31.8352 -113.473 37.2078 21.5645 23.0659 5.82261 PRESSAVG: 1428600 36.9692 13.4716 26.2099 13.4717 3.60613 62.6623 26.2097 62.6624 -11.0922 GPRESSAVG: 1428600 37.7108 15.5667 26.902 10.909 3.10021 64.5326 27.6961 61.0333 -10.908 TIMING: 1428600 CPU: 4247.74, 0.00293191/step Wall: 4247.74, 0.00293191/step, 2.90862 hours remaining, 206.710938 MB of memory in use. ENERGY: 1428600 756.6913 2063.3310 1926.3843 105.8474 -206195.2017 17735.6909 0.0000 0.0000 34486.5331 -149120.7238 301.1795 -183607.2569 -149027.5755 300.0832 -113.0937 -84.5386 557115.5115 9.8277 9.9677 PRESSURE: 1428800 -76.6065 38.4703 -256.791 38.4697 -255.724 69.27 -256.792 69.2695 -505.234 GPRESSURE: 1428800 -28.9811 141.929 -214.493 37.7826 -264.329 85.8391 -297.762 65.774 -448.704 PRESSAVG: 1428800 29.3907 27.1946 34.8928 27.1945 6.30941 6.54327 34.8927 6.54318 8.5447 GPRESSAVG: 1428800 29.7623 27.0507 34.2325 28.6301 5.93961 6.11667 34.3793 4.37009 8.90393 TIMING: 1428800 CPU: 4248.33, 0.00295139/step Wall: 4248.33, 0.00295139/step, 2.92777 hours remaining, 206.710938 MB of memory in use. ENERGY: 1428800 760.6887 2063.2332 1969.9273 131.0299 -205763.5770 17581.2125 0.0000 0.0000 34326.6249 -148930.8605 299.7830 -183257.4853 -148833.9953 300.5322 -279.1882 -247.3380 557720.5542 14.7483 14.8686 PRESSURE: 1429000 161.978 152.689 126.431 152.689 -160.277 -58.944 126.431 -58.9444 -44.3682 GPRESSURE: 1429000 180.039 127.621 121.263 163.194 -94.7326 -76.3693 108.354 -52.9724 -33.2374 PRESSAVG: 1429000 -33.9384 19.6036 -15.4882 19.6036 -40.5411 11.7268 -15.4883 11.7268 0.778788 GPRESSAVG: 1429000 -35.6702 17.2492 -15.1681 21.3393 -39.8952 14.4587 -14.1106 10.2997 1.99596 TIMING: 1429000 CPU: 4248.92, 0.00295906/step Wall: 4248.92, 0.00295906/step, 2.93522 hours remaining, 206.710938 MB of memory in use. ENERGY: 1429000 741.1084 2099.5771 1931.8653 113.8801 -205850.3167 17760.6050 0.0000 0.0000 34382.0615 -148821.2193 300.2671 -183203.2807 -148724.6163 299.8251 -14.2224 17.3562 559362.8168 -24.5669 -24.5232 PRESSURE: 1429200 81.8865 -61.844 129.099 -61.846 337.291 -148.289 129.099 -148.287 40.6365 GPRESSURE: 1429200 144.941 35.1259 72.7937 -86.4846 401.284 -74.642 47.9148 -168.498 28.6447 PRESSAVG: 1429200 57.2692 6.55353 55.9693 6.55352 -29.436 36.4519 55.9693 36.452 -17.6001 GPRESSAVG: 1429200 58.0918 10.5005 55.1011 6.0631 -29.8136 34.3634 55.4993 39.5123 -18.667 TIMING: 1429200 CPU: 4249.52, 0.00298195/step Wall: 4249.52, 0.00298195/step, 2.95776 hours remaining, 206.710938 MB of memory in use. ENERGY: 1429200 720.8549 2044.4422 1952.2577 114.1597 -206104.1295 18024.0736 0.0000 0.0000 34311.4089 -148936.9324 299.6501 -183248.3413 -148844.7112 299.9281 153.2714 191.6233 558555.1815 3.4110 3.2038 PRESSURE: 1429400 99.9332 -66.8501 -134.245 -66.8498 210.545 -217.468 -134.246 -217.47 -14.7784 GPRESSURE: 1429400 108.74 -118.844 -151.614 -73.1179 250.977 -168.626 -151.37 -175.843 17.7133 PRESSAVG: 1429400 19.4645 -8.54814 0.375889 -8.54805 -9.89196 -19.5661 0.375913 -19.5661 -55.1068 GPRESSAVG: 1429400 20.2773 -12.9813 0.400279 -7.77882 -9.95115 -19.4627 -0.874904 -19.3093 -55.3819 TIMING: 1429400 CPU: 4250.12, 0.00299427/step Wall: 4250.12, 0.00299427/step, 2.96982 hours remaining, 206.710938 MB of memory in use. ENERGY: 1429400 724.7933 2123.7849 1957.0814 113.0215 -206008.5528 17956.2586 0.0000 0.0000 34251.0089 -148882.6042 299.1226 -183133.6130 -148784.5000 299.6458 98.5667 125.8101 559508.7474 -15.1781 -15.0186 PRESSURE: 1429600 112.329 -142.176 -156.672 -142.175 -40.0125 -42.7106 -156.673 -42.7092 385.984 GPRESSURE: 1429600 171.825 -111.712 -141.376 -114.07 6.51231 -42.6017 -106.439 -32.4969 378.866 PRESSAVG: 1429600 43.1828 64.6169 -17.5663 64.6169 -36.6828 -6.40666 -17.5663 -6.40679 23.6513 GPRESSAVG: 1429600 42.5767 65.3418 -17.4712 64.1737 -37.1963 -5.50661 -17.15 -6.95953 24.6054 TIMING: 1429600 CPU: 4250.71, 0.002982/step Wall: 4250.71, 0.002982/step, 2.95749 hours remaining, 206.710938 MB of memory in use. ENERGY: 1429600 747.1541 2105.6791 1918.7158 113.7599 -206350.6547 18169.5817 0.0000 0.0000 34278.2689 -149017.4951 299.3606 -183295.7640 -148924.3076 299.6657 152.7669 185.7345 558386.0130 10.0504 9.9953 PRESSURE: 1429800 -181.769 -55.0007 -47.1486 -55.0032 -213.035 -81.7332 -47.1485 -81.7334 144.387 GPRESSURE: 1429800 -157.748 -24.8069 21.4324 -163.472 -164.901 -95.2547 -26.7001 2.93837 171.2 PRESSAVG: 1429800 43.8295 -32.6778 -29.5075 -32.6778 -48.6216 -78.6112 -29.5075 -78.6113 72.8358 GPRESSAVG: 1429800 44.5324 -33.1923 -30.9576 -31.4835 -48.315 -77.5861 -28.4819 -78.8443 71.9867 TIMING: 1429800 CPU: 4251.31, 0.00298384/step Wall: 4251.31, 0.00298384/step, 2.95914 hours remaining, 206.710938 MB of memory in use. ENERGY: 1429800 754.5691 2093.5130 1959.9099 124.9265 -205871.1059 17655.1774 0.0000 0.0000 34435.1070 -148847.9030 300.7304 -183283.0100 -148753.8819 300.6228 -83.4723 -50.4832 558729.9971 22.6812 22.7347 PRESSURE: 1430000 175.536 56.5265 -60.6456 56.526 108.817 -54.5805 -60.6465 -54.5799 50.5492 GPRESSURE: 1430000 156.882 15.7892 -45.3823 -5.21455 127.668 -77.6718 -65.5311 -18.9637 140.633 PRESSAVG: 1430000 -7.15167 -46.5227 30.689 -46.5227 16.7223 -21.9608 30.6891 -21.9607 -22.2161 GPRESSAVG: 1430000 -6.49827 -45.2567 32.5171 -49.7011 15.675 -22.1729 27.8523 -22.5747 -21.9796 TIMING: 1430000 CPU: 4251.9, 0.00296309/step Wall: 4251.9, 0.00296309/step, 2.9384 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: 1430000 738.8210 2099.7967 1926.3034 120.1651 -206243.1428 18139.1666 0.0000 0.0000 34257.8185 -148961.0715 299.1820 -183218.8900 -148860.6219 300.1054 111.6342 141.7278 558958.5652 -4.2151 -4.2676 PRESSURE: 1430200 -220.612 -37.6223 -92.7433 -37.6229 31.7228 115.419 -92.7445 115.418 -386.717 GPRESSURE: 1430200 -168.17 -58.019 -188.954 -34.1553 56.605 174.425 -40.2224 64.3894 -358.577 PRESSAVG: 1430200 -7.39949 30.1621 -5.68871 30.1621 -4.02411 10.3124 -5.68885 10.3125 1.53735 GPRESSAVG: 1430200 -9.81496 28.0567 -6.12739 32.4536 -1.71782 9.66384 -2.82533 11.2062 1.01857 TIMING: 1430200 CPU: 4252.5, 0.00298563/step Wall: 4252.5, 0.00298563/step, 2.96058 hours remaining, 206.710938 MB of memory in use. ENERGY: 1430200 717.2394 2131.1433 1913.6133 112.1294 -205759.7830 17542.1875 0.0000 0.0000 34222.3573 -149121.1129 298.8724 -183343.4702 -149020.7327 299.5057 -191.8687 -156.7138 558357.7069 -3.2954 -3.5047 PRESSURE: 1430400 -11.7522 -25.8426 58.7833 -25.8417 189.767 -54.4135 58.7834 -54.4127 -292.296 GPRESSURE: 1430400 -17.6677 -0.695681 27.9759 -4.48192 262.272 -20.5461 92.7099 -78.2459 -258.725 PRESSAVG: 1430400 -47.7444 22.3172 28.635 22.3171 55.7502 -3.31075 28.6349 -3.31076 -11.9062 GPRESSAVG: 1430400 -46.003 23.4963 28.8807 21.6878 54.278 -3.74213 26.2311 -4.4444 -11.6086 TIMING: 1430400 CPU: 4253.09, 0.00294514/step Wall: 4253.09, 0.00294514/step, 2.92027 hours remaining, 206.710938 MB of memory in use. ENERGY: 1430400 729.2053 2081.3581 1936.0975 104.3880 -205960.5864 17577.6569 0.0000 0.0000 34101.9513 -149429.9295 297.8208 -183531.8807 -149334.2269 298.8099 -38.0940 -4.7068 558095.2423 -1.3001 -1.1112 PRESSURE: 1430600 -136.276 -57.618 127.311 -57.6186 37.7671 26.3733 127.31 26.3711 15.8183 GPRESSURE: 1430600 -92.0582 -98.5219 119.226 -109.526 38.4978 -55.614 125.431 98.1295 78.7666 PRESSAVG: 1430600 13.785 -6.22636 -46.9452 -6.22631 46.4293 -18.2814 -46.9452 -18.2815 -51.7588 GPRESSAVG: 1430600 13.0585 -8.65589 -48.9419 -5.33069 46.8316 -19.8662 -44.5426 -16.6564 -51.5566 TIMING: 1430600 CPU: 4253.68, 0.0029486/step Wall: 4253.68, 0.00294861/step, 2.92354 hours remaining, 206.710938 MB of memory in use. ENERGY: 1430600 787.6706 2126.8974 1958.1611 117.7623 -206560.5111 17906.1439 0.0000 0.0000 34324.7379 -149339.1378 299.7665 -183663.8757 -149249.7483 298.0469 -27.5634 8.4021 557614.0448 2.8185 2.7778 PRESSURE: 1430800 179.204 18.0087 -38.309 18.008 323.998 -52.9925 -38.3097 -52.9928 -40.3667 GPRESSURE: 1430800 166.748 76.3578 -9.07804 -101.351 372.99 -49.2036 -89.2868 -105.653 11.0643 PRESSAVG: 1430800 -19.5171 31.725 10.3606 31.725 -19.4771 17.4247 10.3605 17.4249 -18.8927 GPRESSAVG: 1430800 -19.3571 35.1435 11.9884 30.7749 -18.815 18.52 8.0492 17.3239 -19.9387 TIMING: 1430800 CPU: 4254.27, 0.00294408/step Wall: 4254.27, 0.00294408/step, 2.91889 hours remaining, 206.710938 MB of memory in use. ENERGY: 1430800 765.4991 2075.2662 1958.9640 119.8644 -206562.6883 18136.5472 0.0000 0.0000 34118.8589 -149387.6885 297.9685 -183506.5474 -149304.8800 298.2820 154.2784 183.6008 557229.0467 -19.2956 -19.3703 PRESSURE: 1431000 -20.4951 19.5142 8.05299 19.5136 -276.661 -62.8679 8.05314 -62.8676 -185.362 GPRESSURE: 1431000 9.94624 25.1087 -15.5127 30.4217 -232.653 -23.7994 87.9362 -47.7859 -168.373 PRESSAVG: 1431000 17.6954 7.97061 10.6414 7.97049 -39.011 19.467 10.6415 19.4671 26.1874 GPRESSAVG: 1431000 18.4015 8.44021 11.7327 7.50512 -39.0714 17.7766 10.3189 20.3264 25.8952 TIMING: 1431000 CPU: 4254.86, 0.00296578/step Wall: 4254.86, 0.00296578/step, 2.94025 hours remaining, 206.710938 MB of memory in use. ENERGY: 1431000 743.0447 2095.2527 1944.9185 114.0076 -206033.8007 17631.4796 0.0000 0.0000 33917.8444 -149587.2532 296.2130 -183505.0976 -149492.9316 298.3202 -160.8395 -130.3601 559227.4615 1.6239 1.7418 PRESSURE: 1431200 -56.2267 121.016 119.416 121.015 -317.855 -14.7022 119.416 -14.7032 92.0777 GPRESSURE: 1431200 -10.8234 112.247 111.217 148.839 -329.016 -71.5985 70.7842 -19.6656 158.191 PRESSAVG: 1431200 14.6662 -0.147328 -28.3602 -0.147368 -7.67263 -16.296 -28.3602 -16.296 -14.3683 GPRESSAVG: 1431200 13.7827 -2.58523 -29.136 -0.189273 -7.08355 -15.7833 -27.241 -16.8591 -13.6233 TIMING: 1431200 CPU: 4255.45, 0.00294848/step Wall: 4255.45, 0.00294848/step, 2.92293 hours remaining, 206.710938 MB of memory in use. ENERGY: 1431200 733.6943 2077.4064 1949.5027 115.3796 -206114.2349 17615.9780 0.0000 0.0000 34107.7628 -149514.5111 297.8716 -183622.2739 -149424.4701 298.5453 -94.0015 -60.5494 558124.0284 -2.4583 -2.3080 PRESSURE: 1431400 -30.5219 -7.48176 -16.4118 -7.48129 158.769 100.536 -16.411 100.536 93.4597 GPRESSURE: 1431400 31.645 -0.867664 -85.3251 -36.4177 161.896 46.3688 31.8067 159.23 131.908 PRESSAVG: 1431400 9.58853 6.08048 -48.2294 6.08044 13.7944 5.10585 -48.2293 5.10584 -46.6345 GPRESSAVG: 1431400 10.7333 6.96334 -48.4268 5.02657 12.6446 5.9526 -47.7436 6.05766 -46.842 TIMING: 1431400 CPU: 4256.03, 0.00292929/step Wall: 4256.03, 0.00292929/step, 2.90374 hours remaining, 206.710938 MB of memory in use. ENERGY: 1431400 757.9588 2089.6213 1954.1583 107.2094 -206317.5374 17929.2194 0.0000 0.0000 33968.4701 -149510.9001 296.6551 -183479.3702 -149415.8174 298.0601 73.9022 108.4829 557810.2085 -7.7505 -7.8214 PRESSURE: 1431600 -81.6481 174.121 93.4115 174.121 -268.09 -51.2828 93.4111 -51.2834 -176.135 GPRESSURE: 1431600 -55.3281 131.97 104.014 155.142 -279.089 22.2404 134.443 -74.6592 -88.5735 PRESSAVG: 1431600 -16.4924 -89.7791 -14.5512 -89.7791 -20.8311 48.8832 -14.5512 48.8832 39.3402 GPRESSAVG: 1431600 -17.0172 -89.0498 -14.2467 -86.997 -20.4002 48.4091 -13.3001 47.0245 39.1471 TIMING: 1431600 CPU: 4256.62, 0.00294936/step Wall: 4256.62, 0.00294936/step, 2.92347 hours remaining, 206.710938 MB of memory in use. ENERGY: 1431600 758.5682 2074.7704 1941.5851 111.5110 -206157.9588 17642.6856 0.0000 0.0000 34027.1024 -149601.7361 297.1671 -183628.8385 -149506.2734 297.7083 -175.2910 -140.9969 558880.8651 0.6723 0.5765 PRESSURE: 1431800 -8.91908 29.3322 144.983 29.3315 66.0404 279.737 144.985 279.738 -99.3143 GPRESSURE: 1431800 38.2239 -62.2472 170.326 97.8096 63.4605 259.597 154.391 288.855 -58.4966 PRESSAVG: 1431800 11.825 -52.4154 48.1215 -52.4154 -5.79952 8.86697 48.1214 8.867 -41.4282 GPRESSAVG: 1431800 11.4447 -54.0006 47.2156 -53.5446 -6.28362 8.82479 47.5308 10.3247 -40.0254 TIMING: 1431800 CPU: 4257.21, 0.00294994/step Wall: 4257.21, 0.00294994/step, 2.92389 hours remaining, 206.710938 MB of memory in use. ENERGY: 1431800 759.2909 2080.7538 1935.6769 103.1112 -206758.2892 18087.9541 0.0000 0.0000 34186.7363 -149604.7660 298.5613 -183791.5023 -149511.0441 298.1551 -14.0643 14.3959 558461.7482 -11.8009 -11.6215 PRESSURE: 1432000 -40.0183 26.7677 9.00736 26.7687 229.534 -182.171 9.00712 -182.169 -121.001 GPRESSURE: 1432000 -8.17342 43.7834 32.8718 14.9819 258.666 -206.949 -3.76789 -131.362 -78.868 PRESSAVG: 1432000 20.6841 -5.40898 38.5819 -5.40892 -34.5399 4.53103 38.5819 4.53107 5.19083 GPRESSAVG: 1432000 20.2564 -3.66226 39.4899 -6.39711 -33.8957 5.5442 38.4593 4.75944 4.54775 TIMING: 1432000 CPU: 4257.81, 0.00297256/step Wall: 4257.81, 0.00297256/step, 2.94613 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: 1432000 761.5836 2093.2093 1923.1326 107.5268 -206370.2437 17907.7979 0.0000 0.0000 33990.8913 -149586.1022 296.8509 -183576.9935 -149493.4861 298.1833 22.8381 57.2082 556953.9628 -2.8883 -3.0305 PRESSURE: 1432200 199.565 29.7338 108.59 29.7351 102.284 4.53211 108.59 4.53294 207.953 GPRESSURE: 1432200 295.624 139.338 191.307 -0.606297 194.335 -51.5935 71.7597 66.8636 124.863 PRESSAVG: 1432200 39.9341 -2.68414 -9.67847 -2.68413 -34.2927 6.27188 -9.67851 6.27203 11.9811 GPRESSAVG: 1432200 41.4967 -4.55487 -10.5622 -1.76641 -34.8855 4.39671 -9.62358 5.95899 11.2866 TIMING: 1432200 CPU: 4258.4, 0.00297807/step Wall: 4258.4, 0.00297807/step, 2.95143 hours remaining, 206.710938 MB of memory in use. ENERGY: 1432200 732.9296 2061.5827 1921.6633 111.3140 -206702.1020 18186.0727 0.0000 0.0000 34090.3292 -149598.2105 297.7193 -183688.5397 -149503.0274 297.6584 169.9340 204.9405 558365.0717 5.8741 5.9659 LDB: ============= START OF LOAD BALANCING ============== 4261.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4261.83 LDB: =============== DONE WITH MIGRATION ================ 4261.83 LDB: ============= START OF LOAD BALANCING ============== 4262.13 LDB: Largest compute 4847 load 0.026885 is 22.8% of average load 0.117986 LDB: Average compute 0.001730 is 1.5% of average load 0.117986 LDB: TIME 4262.13 LOAD: AVG 0.117986 MAX 0.196819 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 4262.13 LOAD: AVG 0.117986 MAX 0.196819 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: TIME 4262.13 LOAD: AVG 0.117986 MAX 0.196819 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: ============== END OF LOAD BALANCING =============== 4262.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4262.14 PRESSURE: 1432400 263.436 -91.6407 54.8732 -91.6412 212.996 3.18467 54.8725 3.18422 217.007 GPRESSURE: 1432400 342.393 -40.9191 119.484 -67.6524 231.934 4.45044 -33.9341 6.51385 216.038 PRESSAVG: 1432400 1.97361 -22.5154 28.1594 -22.5154 -27.8346 12.2397 28.1594 12.2397 0.749568 GPRESSAVG: 1432400 2.80923 -20.9463 29.0645 -22.7895 -28.3362 13.848 27.3789 12.9254 0.760314 TIMING: 1432400 CPU: 4259.01, 0.00302542/step Wall: 4259.01, 0.00302542/step, 2.99819 hours remaining, 205.085938 MB of memory in use. ENERGY: 1432400 768.7928 2079.7289 1913.5430 111.6483 -206980.2333 18377.0774 0.0000 0.0000 33977.9643 -149751.4786 296.7380 -183729.4429 -149660.7373 297.8947 231.1465 263.4549 556938.0216 -8.3705 -8.2556 PRESSURE: 1432600 119.235 74.8274 73.071 74.8262 -184.499 173.937 73.0692 173.939 54.4148 GPRESSURE: 1432600 165.225 153.645 56.4694 11.6883 -163.951 121.999 85.2594 187.11 75.9762 PRESSAVG: 1432600 83.9366 -52.7735 -26.0002 -52.7735 -19.4297 -22.4166 -26.0003 -22.4167 -60.0176 GPRESSAVG: 1432600 82.4756 -53.326 -28.2337 -53.0316 -17.6869 -23.0093 -23.2331 -22.6037 -60.11 TIMING: 1432600 CPU: 4259.6, 0.00296456/step Wall: 4259.6, 0.00296456/step, 2.93772 hours remaining, 205.289062 MB of memory in use. ENERGY: 1432600 741.8520 2050.7803 1943.9527 125.0285 -206675.6143 18007.5058 0.0000 0.0000 34132.8128 -149673.6822 298.0903 -183806.4950 -149579.0025 297.4688 -3.6164 25.7498 557838.1515 1.4964 1.5596 PRESSURE: 1432800 96.5931 79.2477 86.4213 79.246 122.527 19.158 86.4214 19.1593 146.775 GPRESSURE: 1432800 115.166 76.4754 156.775 -41.9983 132.794 94.4829 65.7174 1.39348 203.094 PRESSAVG: 1432800 15.7044 5.56419 -10.3317 5.56425 -33.9604 15.5228 -10.3317 15.523 12.7626 GPRESSAVG: 1432800 16.055 6.2501 -7.93372 4.48472 -34.7344 16.1614 -10.4888 13.0325 13.1681 TIMING: 1432800 CPU: 4260.2, 0.00297652/step Wall: 4260.2, 0.00297652/step, 2.94941 hours remaining, 205.289062 MB of memory in use. ENERGY: 1432800 759.1984 2093.6701 1965.3543 111.0693 -206386.1687 17878.1621 0.0000 0.0000 34227.4646 -149351.2499 298.9170 -183578.7145 -149254.4043 298.5683 121.9653 150.3513 557256.5589 -1.8311 -1.8371 PRESSURE: 1433000 -340.792 -43.0202 44.4443 -43.0207 -91.978 -184.646 44.4439 -184.645 -67.5311 GPRESSURE: 1433000 -243.83 12.7154 -58.4069 -147.879 -115.618 -195.407 54.6394 -116.762 -43.4692 PRESSAVG: 1433000 -29.836 0.829381 6.25076 0.829363 18.7521 4.72436 6.25066 4.72442 37.6371 GPRESSAVG: 1433000 -30.7412 0.95066 4.71098 1.65848 19.7884 4.63045 3.75541 6.49727 37.0056 TIMING: 1433000 CPU: 4260.79, 0.00296314/step Wall: 4260.79, 0.00296314/step, 2.93598 hours remaining, 205.289062 MB of memory in use. ENERGY: 1433000 744.8850 2006.0751 1959.9852 108.2087 -205750.8870 17544.2263 0.0000 0.0000 34053.8514 -149333.6553 297.4008 -183387.5067 -149237.9575 298.7943 -166.7669 -134.3059 558220.6947 8.8511 8.6843 PRESSURE: 1433200 148.373 -16.5454 -30.4512 -16.5453 -367.514 103.301 -30.4521 103.302 163.784 GPRESSURE: 1433200 197.214 -23.8857 82.2601 4.17174 -363.935 70.8098 -72.3802 112.45 203.081 PRESSAVG: 1433200 -38.8708 -7.30713 50.6523 -7.30712 3.22324 35.1752 50.6524 35.1753 48.8407 GPRESSAVG: 1433200 -39.5516 -8.64739 50.8613 -5.97396 2.65082 35.3093 52.3059 35.6811 49.6951 TIMING: 1433200 CPU: 4261.39, 0.00297397/step Wall: 4261.39, 0.00297397/step, 2.94654 hours remaining, 205.289062 MB of memory in use. ENERGY: 1433200 768.1151 2100.4373 1968.3815 113.7869 -205957.0708 17576.4058 0.0000 0.0000 34230.8887 -149199.0556 298.9469 -183429.9442 -149099.9070 298.2775 -18.4524 12.1200 556968.5811 4.3977 4.2648 PRESSURE: 1433400 -11.0799 111.436 -51.1631 111.436 10.4813 -81.0417 -51.1638 -81.0433 150.577 GPRESSURE: 1433400 34.9538 112.262 -56.7275 9.92393 34.6244 -151.94 -26.9842 -0.312417 169.938 PRESSAVG: 1433400 3.98477 0.392854 -26.69 0.392893 -39.9718 -31.8209 -26.6899 -31.821 54.219 GPRESSAVG: 1433400 4.79585 2.243 -26.0112 -1.09278 -39.9052 -33.4865 -28.0426 -31.3294 53.7569 TIMING: 1433400 CPU: 4261.98, 0.00299349/step Wall: 4261.98, 0.00299349/step, 2.96572 hours remaining, 205.289062 MB of memory in use. ENERGY: 1433400 748.5500 2128.0244 1933.4447 98.4999 -206579.4805 17964.9236 0.0000 0.0000 34451.1806 -149254.8573 300.8707 -183706.0379 -149159.8088 299.5223 49.9927 79.8387 556769.0134 6.0773 6.2159 PRESSURE: 1433600 -191.542 -38.2313 88.1137 -38.2296 25.0926 48.0398 88.1121 48.0391 -177.149 GPRESSURE: 1433600 -191.866 -85.2366 -3.0887 -3.93476 27.0558 77.9812 27.4081 98.6314 -90.053 PRESSAVG: 1433600 -52.6868 51.5843 8.64451 51.5843 34.606 29.1535 8.64455 29.1535 17.3158 GPRESSAVG: 1433600 -52.2854 49.5043 6.73783 52.7744 33.8105 30.3345 8.80809 29.4731 17.4257 TIMING: 1433600 CPU: 4262.58, 0.00297596/step Wall: 4262.58, 0.00297596/step, 2.94818 hours remaining, 205.289062 MB of memory in use. ENERGY: 1433600 771.2616 2015.9739 1954.7012 112.0522 -206147.9602 17759.6678 0.0000 0.0000 34092.1890 -149442.1145 297.7356 -183534.3035 -149348.7303 298.8239 -114.5327 -84.9545 557139.2353 -0.2550 -0.3497 PRESSURE: 1433800 0.817104 -107.759 48.2966 -107.76 558.267 113.523 48.2963 113.524 -333.051 GPRESSURE: 1433800 81.0658 -18.1042 47.7259 -130.095 491.071 133.71 101.234 29.273 -251.056 PRESSAVG: 1433800 -28.2312 5.89793 48.2578 5.89786 28.8703 16.5894 48.2579 16.5894 -44.7289 GPRESSAVG: 1433800 -29.1356 7.41796 48.9582 4.96243 29.5074 16.8103 47.833 14.7491 -43.8564 TIMING: 1433800 CPU: 4263.18, 0.0029867/step Wall: 4263.18, 0.0029867/step, 2.95866 hours remaining, 205.289062 MB of memory in use. ENERGY: 1433800 794.7305 2082.1893 1928.3725 113.9496 -206657.7539 18199.8363 0.0000 0.0000 34175.8387 -149362.8371 298.4661 -183538.6758 -149273.5607 299.0757 75.3444 107.0269 557678.4062 -14.6966 -14.4949 PRESSURE: 1434000 -4.72189 32.4759 -14.1593 32.4754 75.8888 65.0235 -14.1589 65.0225 -138.614 GPRESSURE: 1434000 18.8312 -19.3955 -60.4231 -54.7378 74.1225 20.41 48.5412 120.32 -63.0802 PRESSAVG: 1434000 7.29097 -24.1034 -39.5856 -24.1034 -27.6038 -46.1275 -39.5856 -46.1275 -6.44372 GPRESSAVG: 1434000 7.96122 -26.2261 -39.0875 -22.9935 -28.232 -44.9938 -37.0639 -45.4268 -6.29833 TIMING: 1434000 CPU: 4263.77, 0.00298142/step Wall: 4263.77, 0.00298142/step, 2.95326 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: 1434000 770.2393 2100.5990 1948.5638 112.8737 -206379.4567 17847.5133 0.0000 0.0000 34196.0448 -149403.6229 298.6426 -183599.6677 -149315.4285 298.7125 -22.4823 9.9578 556183.4193 -8.9188 -8.8564 PRESSURE: 1434200 62.8503 166.788 -87.8055 166.788 455.784 112.623 -87.8041 112.623 169.662 GPRESSURE: 1434200 118.787 129.58 -94.7157 218.714 448.569 199.542 -116.78 50.6775 223.413 PRESSAVG: 1434200 -11.9874 -4.08458 -19.1515 -4.08459 2.50043 19.113 -19.1515 19.113 -4.1599 GPRESSAVG: 1434200 -12.0253 -3.345 -19.3716 -4.79858 2.2458 17.897 -21.6558 20.3241 -3.52007 TIMING: 1434200 CPU: 4264.37, 0.002965/step Wall: 4264.37, 0.002965/step, 2.93683 hours remaining, 205.289062 MB of memory in use. ENERGY: 1434200 756.3043 2062.1409 1927.8733 109.3398 -206726.7568 18197.1999 0.0000 0.0000 34082.1135 -149591.7850 297.6476 -183673.8985 -149503.4038 298.1817 229.4318 263.5899 556411.4572 -4.5490 -4.4332 PRESSURE: 1434400 -306.488 14.8238 -129.342 14.825 195.775 -35.642 -129.343 -35.6416 -252.213 GPRESSURE: 1434400 -200.319 -100.197 -139.484 26.4579 156.728 33.2032 -93.4076 -79.6921 -216.945 PRESSAVG: 1434400 12.4042 -14.1886 -7.75457 -14.1886 31.6606 5.39318 -7.75457 5.39307 -57.1561 GPRESSAVG: 1434400 12.5951 -13.6326 -7.9472 -15.0731 32.3055 5.86542 -6.17448 3.09298 -57.8851 TIMING: 1434400 CPU: 4264.96, 0.00296483/step Wall: 4264.96, 0.00296483/step, 2.9365 hours remaining, 205.289062 MB of memory in use. ENERGY: 1434400 738.6806 2060.5046 1957.1581 120.7420 -206119.8936 17514.7853 0.0000 0.0000 34115.4896 -149612.5334 297.9391 -183728.0230 -149518.7329 298.0284 -120.9752 -86.8455 556441.0329 -4.3638 -4.3282 PRESSURE: 1434600 68.5794 94.8173 95.6135 94.8176 159.207 -25.4163 95.6145 -25.4147 -47.6597 GPRESSURE: 1434600 92.445 64.1072 169.142 65.8628 169.606 -25.7426 127.533 -12.4722 11.057 PRESSAVG: 1434600 -56.2077 -10.9626 35.4349 -10.9626 3.11624 -22.1931 35.4349 -22.1931 9.04883 GPRESSAVG: 1434600 -56.4771 -10.9904 36.1645 -9.696 2.30341 -23.0831 35.6388 -19.979 9.48385 TIMING: 1434600 CPU: 4265.55, 0.00297551/step Wall: 4265.55, 0.00297551/step, 2.94691 hours remaining, 205.289062 MB of memory in use. ENERGY: 1434600 734.7173 2025.6342 1939.6426 103.7887 -206209.6181 17721.1745 0.0000 0.0000 34064.7421 -149619.9187 297.4959 -183684.6609 -149526.9766 297.3395 60.0424 91.0360 557278.9977 -14.6809 -14.8966 PRESSURE: 1434800 -112.911 107.215 192.028 107.215 211.529 -1.38835 192.028 -1.38987 115.069 GPRESSURE: 1434800 -78.0631 138.543 143.942 94.3369 241.118 72.7467 242.077 9.31418 150.829 PRESSAVG: 1434800 -33.2987 53.8369 35.6504 53.8369 54.6282 -10.7894 35.6504 -10.7895 -42.1908 GPRESSAVG: 1434800 -33.5461 55.1723 35.7141 52.1368 54.752 -10.3235 33.7542 -10.9597 -42.1326 TIMING: 1434800 CPU: 4266.15, 0.0029766/step Wall: 4266.15, 0.0029766/step, 2.94782 hours remaining, 205.289062 MB of memory in use. ENERGY: 1434800 761.2898 2033.2420 1932.5163 123.2588 -206461.0476 17855.7188 0.0000 0.0000 34109.8746 -149645.1471 297.8900 -183755.0218 -149542.2780 297.7331 71.2291 104.6278 556072.4480 -6.9537 -6.9756 PRESSURE: 1435000 -269.542 15.4962 -42.9097 15.4948 -17.6793 -190.165 -42.9093 -190.164 -145.87 GPRESSURE: 1435000 -204.47 10.5352 -35.089 -6.05938 51.1151 -215.486 -28.5633 -140.921 -185.317 PRESSAVG: 1435000 22.6427 29.7917 17.9784 29.7917 -25.0629 -22.8754 17.9786 -22.8755 -27.1435 GPRESSAVG: 1435000 23.0151 29.1783 17.7983 32.025 -24.3956 -22.8181 19.1557 -21.4149 -28.0606 TIMING: 1435000 CPU: 4266.74, 0.0029665/step Wall: 4266.74, 0.0029665/step, 2.93766 hours remaining, 205.289062 MB of memory in use. ENERGY: 1435000 806.6683 2070.2858 1937.2508 119.4580 -206315.2333 17815.3632 0.0000 0.0000 34026.5959 -149539.6113 297.1627 -183566.2072 -149456.5592 298.3499 -144.3638 -112.8905 555247.8350 -9.8546 -9.8137 PRESSURE: 1435200 -85.5297 -102.794 25.0164 -102.796 -138.846 -93.7057 25.0157 -93.7065 77.9905 GPRESSURE: 1435200 39.6368 -72.062 -15.7558 -109.406 -171.896 -81.5861 92.9077 -103.643 81.0266 PRESSAVG: 1435200 69.1579 -36.556 -60.5628 -36.556 -31.893 7.66407 -60.5628 7.66398 -9.29954 GPRESSAVG: 1435200 68.6846 -35.9352 -59.9548 -38.1077 -30.9448 8.38522 -59.6429 5.1874 -10.096 TIMING: 1435200 CPU: 4267.34, 0.00297904/step Wall: 4267.34, 0.00297904/step, 2.94991 hours remaining, 205.289062 MB of memory in use. ENERGY: 1435200 763.9062 2075.7565 1929.0255 110.4595 -206507.3891 17752.3958 0.0000 0.0000 34233.6141 -149642.2316 298.9707 -183875.8457 -149543.9513 298.7515 -48.7951 -17.0776 556668.5729 9.3218 9.2146 PRESSURE: 1435400 43.853 74.2907 97.8678 74.2903 -291.964 52.8903 97.869 52.8906 -51.4067 GPRESSURE: 1435400 52.4336 79.7132 127.074 79.8573 -272.052 95.263 68.9033 14.8141 19.2383 PRESSAVG: 1435400 55.2676 -10.8821 55.8257 -10.8821 -53.2674 14.7785 55.8257 14.7786 -17.1579 GPRESSAVG: 1435400 56.1858 -11.9134 56.0036 -10.1519 -55.538 14.7857 55.1986 14.5296 -16.0483 TIMING: 1435400 CPU: 4267.93, 0.00296448/step Wall: 4267.93, 0.00296448/step, 2.93533 hours remaining, 205.289062 MB of memory in use. ENERGY: 1435400 782.4999 2050.4851 1951.0081 115.2796 -206169.9607 17706.2561 0.0000 0.0000 34056.1373 -149508.2945 297.4207 -183564.4319 -149412.3067 298.6379 -99.8392 -66.7934 557780.7274 -5.0526 -5.1335 PRESSURE: 1435600 146.106 -52.2429 -158.67 -52.2431 -195.272 202.866 -158.668 202.865 55.8562 GPRESSURE: 1435600 176.44 -162.829 -157.503 -23.1288 -131.071 158.843 -107.593 148.363 62.23 PRESSAVG: 1435600 94.6446 8.8199 -5.49019 8.81995 -18.4603 -8.80095 -5.49017 -8.80091 -62.1078 GPRESSAVG: 1435600 92.6501 8.1455 -8.10555 8.8639 -16.1248 -8.8494 -5.49032 -8.87858 -62.4731 TIMING: 1435600 CPU: 4268.53, 0.00297519/step Wall: 4268.53, 0.00297519/step, 2.94577 hours remaining, 205.289062 MB of memory in use. ENERGY: 1435600 751.0097 2019.7833 1951.9669 122.4818 -206617.1967 17904.1309 0.0000 0.0000 34264.7506 -149603.0734 299.2426 -183867.8241 -149503.9985 298.5192 2.2298 35.8664 557527.6434 4.6922 4.6841 PRESSURE: 1435800 -244.008 156.651 -29.3221 156.652 -145.577 -10.5767 -29.3227 -10.5788 -461.855 GPRESSURE: 1435800 -189.508 205.773 97.2527 222.378 -169.484 -70.3286 -192.161 -6.26312 -396.96 PRESSAVG: 1435800 -9.05733 24.325 -47.2637 24.325 16.6719 -35.6571 -47.2636 -35.6571 -27.5092 GPRESSAVG: 1435800 -7.35226 24.5299 -45.1296 22.8389 15.3374 -37.5532 -46.6673 -33.5411 -27.7214 TIMING: 1435800 CPU: 4269.12, 0.00296766/step Wall: 4269.12, 0.00296766/step, 2.93815 hours remaining, 205.289062 MB of memory in use. ENERGY: 1435800 760.7739 2016.5306 1946.9478 115.9980 -206501.9080 17722.6617 0.0000 0.0000 34268.9587 -149670.0374 299.2793 -183938.9960 -149572.5818 297.9090 -283.8135 -251.9839 558593.6033 -6.6315 -6.5787 PRESSURE: 1436000 -15.7081 54.3625 60.7809 54.3629 -68.6974 67.659 60.7817 67.6599 -20.8754 GPRESSURE: 1436000 -17.5253 79.3568 1.22353 70.2356 -35.5671 3.14774 25.6894 59.466 28.7668 PRESSAVG: 1436000 3.66839 25.9939 21.7711 25.9938 -18.9121 -1.97195 21.7712 -1.97197 -3.66154 GPRESSAVG: 1436000 3.81207 26.6694 22.1627 28.113 -19.3903 0.119622 20.0168 -2.24986 -3.38075 TIMING: 1436000 CPU: 4269.71, 0.0029675/step Wall: 4269.71, 0.0029675/step, 2.93782 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: 1436000 716.9865 2084.0741 1936.5705 112.2239 -206762.1968 18067.4073 0.0000 0.0000 34329.4851 -149515.4493 299.8079 -183844.9344 -149418.5263 298.1766 -35.0936 -8.1085 559842.5556 -6.3017 -6.3197 PRESSURE: 1436200 -157.094 -74.2096 -80.8978 -74.2092 37.5774 -89.8387 -80.8971 -89.8371 -347.947 GPRESSURE: 1436200 -69.0768 -56.9883 -84.4094 -61.5753 71.633 -88.8947 -93.9795 -115.237 -373.961 PRESSAVG: 1436200 22.6681 20.1218 -28.5989 20.1218 4.018 24.2119 -28.5988 24.2119 7.21146 GPRESSAVG: 1436200 22.3873 19.0754 -27.5115 19.4261 4.28601 22.5303 -26.7181 25.0201 7.94532 TIMING: 1436200 CPU: 4270.31, 0.00296861/step Wall: 4270.31, 0.00296861/step, 2.93876 hours remaining, 205.289062 MB of memory in use. ENERGY: 1436200 745.2349 2049.9492 1953.4919 100.5823 -206216.0976 17753.4235 0.0000 0.0000 34053.9044 -149559.5115 297.4012 -183613.4159 -149456.6350 298.1635 -155.8211 -123.8018 558900.5768 11.2992 11.5395 LDB: ============= START OF LOAD BALANCING ============== 4273.73 LDB: ============== END OF LOAD BALANCING =============== 4273.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4273.73 LDB: ============= START OF LOAD BALANCING ============== 4274.03 LDB: Largest compute 4847 load 0.026790 is 22.7% of average load 0.118003 LDB: Average compute 0.001734 is 1.5% of average load 0.118003 LDB: TIME 4274.04 LOAD: AVG 0.118003 MAX 0.198084 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.371 MB LDB: TIME 4274.04 LOAD: AVG 0.118003 MAX 0.198084 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: TIME 4274.04 LOAD: AVG 0.118003 MAX 0.198084 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: ============== END OF LOAD BALANCING =============== 4274.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4274.04 PRESSURE: 1436400 -12.5488 130.284 -21.2243 130.284 -28.205 -29.2735 -21.2247 -29.2736 7.0921 GPRESSURE: 1436400 1.1918 173.221 18.8622 136.55 -20.4749 -34.1206 -74.8406 -72.9308 81.8804 PRESSAVG: 1436400 -7.11681 26.3032 -37.3371 26.3031 23.0656 -33.3786 -37.3371 -33.3785 -32.3691 GPRESSAVG: 1436400 -7.77302 26.1106 -38.7775 25.8352 23.6561 -33.2415 -38.9292 -32.6026 -31.8486 TIMING: 1436400 CPU: 4270.91, 0.00303086/step Wall: 4270.91, 0.00303086/step, 3.00021 hours remaining, 207.335938 MB of memory in use. ENERGY: 1436400 804.8594 2073.6192 1950.7236 103.2390 -206290.3004 17719.8948 0.0000 0.0000 34179.9240 -149458.0404 298.5018 -183637.9644 -149362.2193 298.5642 -11.2206 20.8658 556272.0510 -5.4734 -5.3218 PRESSURE: 1436600 3.03531 112.7 61.5557 112.699 -11.5587 -30.5504 61.5549 -30.5505 213.758 GPRESSURE: 1436600 -4.49881 124.017 87.7521 67.6133 41.5399 -1.87508 36.4651 -26.8578 259.719 PRESSAVG: 1436600 20.9925 12.7613 8.363 12.7614 -87.6162 -50.5215 8.36302 -50.5214 109.233 GPRESSAVG: 1436600 20.6502 13.9143 7.03051 10.5597 -86.6021 -48.7997 9.02588 -51.417 108.002 TIMING: 1436600 CPU: 4271.51, 0.0029636/step Wall: 4271.51, 0.0029636/step, 2.93347 hours remaining, 207.335938 MB of memory in use. ENERGY: 1436600 769.7274 2064.7886 1980.1367 106.3298 -206650.5908 17936.8707 0.0000 0.0000 34350.3700 -149442.3676 299.9903 -183792.7376 -149352.5059 299.2447 68.4114 98.9199 555709.1005 14.2031 14.0167 PRESSURE: 1436800 -139.024 -81.3945 221.609 -81.3956 -191.388 -118.939 221.611 -118.937 -28.4489 GPRESSURE: 1436800 -152.729 -109.227 264.119 -108.406 -107.254 -183.647 169.104 -65.6054 7.49436 PRESSAVG: 1436800 58.3597 -1.95758 27.0888 -1.95755 -25.6882 -41.9183 27.0889 -41.9184 7.35361 GPRESSAVG: 1436800 58.1253 -3.2087 31.5876 0.369207 -25.7363 -44.5586 25.276 -40.8515 7.8746 TIMING: 1436800 CPU: 4272.1, 0.00297711/step Wall: 4272.1, 0.00297711/step, 2.94668 hours remaining, 207.335938 MB of memory in use. ENERGY: 1436800 765.0196 2090.8852 1930.3866 110.9864 -206372.5151 17748.9815 0.0000 0.0000 34209.2333 -149517.0225 298.7577 -183726.2557 -149418.0643 299.0176 -119.6202 -84.1630 557689.6207 13.3417 13.4212 PRESSURE: 1437000 -99.2643 -24.6948 -61.4103 -24.6947 -3.13656 -15.6492 -61.4111 -15.6486 132.403 GPRESSURE: 1437000 -52.1663 12.3178 -84.3599 -31.7046 5.74475 -13.9529 3.86638 -10.3311 169.546 PRESSAVG: 1437000 11.9811 1.47973 -8.13622 1.47968 19.2497 -17.2602 -8.13625 -17.2603 -11.7035 GPRESSAVG: 1437000 13.5426 2.73497 -11.5107 0.633405 18.0818 -16.0612 -5.68714 -17.5891 -11.6267 TIMING: 1437000 CPU: 4272.69, 0.00296653/step Wall: 4272.69, 0.00296653/step, 2.93604 hours remaining, 207.335938 MB of memory in use. ENERGY: 1437000 784.9075 2143.4236 1949.2526 107.9889 -206453.8205 18043.9468 0.0000 0.0000 33985.3859 -149438.9153 296.8028 -183424.3012 -149341.4288 298.0911 10.0008 41.0414 557025.3942 6.5091 6.6659 PRESSURE: 1437200 227.39 -80.3948 -1.58468 -80.3944 -203.444 40.1535 -1.58645 40.1522 -126.09 GPRESSURE: 1437200 260.356 -127.626 102.433 -17.1363 -183.66 35.7806 -62.0307 -10.857 -92.8013 PRESSAVG: 1437200 -28.7487 23.0348 -3.47309 23.0349 71.6046 18.0555 -3.47306 18.0555 -41.938 GPRESSAVG: 1437200 -28.9209 22.2294 -3.57581 23.1787 71.7388 17.3617 -4.79057 17.0838 -41.0916 TIMING: 1437200 CPU: 4273.3, 0.00300411/step Wall: 4273.3, 0.00300411/step, 2.97307 hours remaining, 207.335938 MB of memory in use. ENERGY: 1437200 774.5140 2063.8758 1978.1786 114.0735 -206486.1871 17728.8266 0.0000 0.0000 34363.3766 -149463.3420 300.1039 -183826.7186 -149365.0511 298.6413 -34.0479 -5.3685 556296.7316 0.3060 0.5755 PRESSURE: 1437400 -54.4021 50.4996 -18.3277 50.5003 25.4571 38.6878 -18.3272 38.6879 12.8227 GPRESSURE: 1437400 -14.2624 34.9873 48.8204 -48.6483 74.8258 81.0408 18.3783 -30.7255 15.5768 PRESSAVG: 1437400 54.5881 17.8648 8.80009 17.8647 6.80898 14.6247 8.80009 14.6246 -39.0075 GPRESSAVG: 1437400 54.4393 17.1425 11.3019 18.0568 6.11785 15.0897 9.87091 14.3305 -37.4475 TIMING: 1437400 CPU: 4273.89, 0.00299074/step Wall: 4273.89, 0.00299074/step, 2.95967 hours remaining, 207.335938 MB of memory in use. ENERGY: 1437400 785.6452 2116.4469 1955.0328 106.7272 -206461.1017 17731.0801 0.0000 0.0000 34292.8179 -149473.3515 299.4877 -183766.1694 -149372.9841 299.3974 -5.3741 25.3801 555955.9777 7.4632 7.7032 PRESSURE: 1437600 28.9459 -71.2181 54.7099 -71.2182 52.8722 -237.522 54.7104 -237.522 105.567 GPRESSURE: 1437600 74.9854 -63.2832 46.6892 -1.8332 46.545 -183.644 47.5876 -217.493 153.707 PRESSAVG: 1437600 18.1142 7.20835 20.4591 7.20836 -20.5722 -45.7481 20.4592 -45.748 13.815 GPRESSAVG: 1437600 17.298 6.88467 20.1022 5.73936 -20.4144 -45.582 17.1358 -44.6117 14.1136 TIMING: 1437600 CPU: 4274.49, 0.00298137/step Wall: 4274.49, 0.00298137/step, 2.95023 hours remaining, 207.335938 MB of memory in use. ENERGY: 1437600 753.7455 2054.9402 1975.0585 110.7519 -206725.5129 18003.5791 0.0000 0.0000 34251.9342 -149575.5035 299.1307 -183827.4376 -149478.5218 299.2023 62.4617 91.7457 555188.1797 3.7857 3.6657 PRESSURE: 1437800 24.7791 134.325 -268.553 134.325 -268.621 62.5644 -268.553 62.5648 -40.2124 GPRESSURE: 1437800 77.9087 189.004 -89.3413 46.1805 -184.485 20.781 -272.544 -38.5661 -76.267 PRESSAVG: 1437800 60.1741 -6.93729 13.279 -6.93734 -22.555 -56.0956 13.2791 -56.0956 -63.686 GPRESSAVG: 1437800 61.4318 -5.65164 12.4771 -5.63426 -22.6922 -55.6965 15.6867 -57.3457 -64.7254 TIMING: 1437800 CPU: 4275.08, 0.00296029/step Wall: 4275.08, 0.00296029/step, 2.92921 hours remaining, 207.335938 MB of memory in use. ENERGY: 1437800 756.9275 2076.6169 1970.3973 119.2600 -206092.4537 17735.4543 0.0000 0.0000 34065.8103 -149367.9874 297.5052 -183433.7977 -149282.0663 298.9664 -94.6847 -60.9479 557342.2346 -8.6890 -8.6619 PRESSURE: 1438000 -3.84217 20.669 -57.9449 20.6675 -18.7348 -32.9505 -57.9451 -32.9488 -120.118 GPRESSURE: 1438000 35.6072 89.2099 10.426 -13.9209 11.0827 -46.6004 -80.6614 30.9978 -86.3687 PRESSAVG: 1438000 115.385 50.3859 -21.2877 50.3859 -9.51522 -49.6158 -21.2877 -49.6158 -83.6623 GPRESSAVG: 1438000 114.898 50.2559 -21.4574 49.5973 -9.81787 -49.8138 -20.8418 -50.407 -82.8453 TIMING: 1438000 CPU: 4275.67, 0.00294616/step Wall: 4275.67, 0.00294616/step, 2.91506 hours remaining, 207.335938 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: 1438000 752.3957 2151.2372 1954.9377 115.9927 -206617.4770 17924.8561 0.0000 0.0000 34151.7355 -149566.3222 298.2556 -183718.0577 -149466.4525 298.3559 -47.5649 -13.2263 556135.6298 7.4026 7.4114 PRESSURE: 1438200 25.6882 141.208 109.274 141.21 -97.9519 6.78378 109.273 6.78317 -94.4053 GPRESSURE: 1438200 36.2605 66.1998 196.225 176.035 -42.0528 -14.5078 149.616 -35.2888 -56.5027 PRESSAVG: 1438200 22.9554 50.3077 67.5068 50.3077 47.2921 -41.1557 67.5069 -41.1557 -59.9903 GPRESSAVG: 1438200 23.3118 50.4004 68.5762 51.4893 47.6788 -40.1608 67.9391 -39.407 -61.2937 TIMING: 1438200 CPU: 4276.26, 0.00294769/step Wall: 4276.26, 0.00294769/step, 2.91641 hours remaining, 207.335938 MB of memory in use. ENERGY: 1438200 764.0378 2133.7431 1962.9342 117.0989 -206024.0726 17556.5617 0.0000 0.0000 34150.6610 -149339.0358 298.2462 -183489.6969 -149245.5781 298.9065 -55.5563 -20.7650 555588.3129 3.4190 3.2323 PRESSURE: 1438400 -16.8231 -54.9601 41.3292 -54.9589 -270.947 -280.72 41.3283 -280.721 19.2555 GPRESSURE: 1438400 -1.49242 -27.074 115.261 -66.7528 -270.571 -269.454 89.5984 -267.573 119.383 PRESSAVG: 1438400 -33.0314 8.51003 -16.9358 8.51008 52.7164 35.6924 -16.9357 35.6925 -3.1305 GPRESSAVG: 1438400 -33.3056 9.25908 -17.3861 7.5538 52.9059 33.4591 -19.1682 36.3592 -3.33532 TIMING: 1438400 CPU: 4276.85, 0.0029667/step Wall: 4276.85, 0.0029667/step, 2.93505 hours remaining, 207.335938 MB of memory in use. ENERGY: 1438400 732.0517 2101.9111 1970.7440 111.4729 -206563.8043 17765.9348 0.0000 0.0000 34425.0000 -149456.6897 300.6421 -183881.6897 -149355.3767 299.4318 -89.5048 -50.8937 554495.6861 5.5182 5.4217 PRESSURE: 1438600 309.571 3.52068 -78.1426 3.5207 -159.725 -137.119 -78.1426 -137.118 -5.95307 GPRESSURE: 1438600 341.073 110.78 -137.829 -95.1037 -123.221 -209.896 -28.5175 -123.814 19.4361 PRESSAVG: 1438600 44.3388 0.37722 -20.7075 0.37715 -37.5828 -47.1106 -20.7075 -47.1107 -13.6079 GPRESSAVG: 1438600 42.5731 -1.34467 -23.0906 1.21358 -37.0497 -47.1372 -18.9106 -47.7496 -12.5541 TIMING: 1438600 CPU: 4277.45, 0.00295599/step Wall: 4277.45, 0.00295599/step, 2.92429 hours remaining, 207.335938 MB of memory in use. ENERGY: 1438600 739.0344 2053.2198 1937.0295 117.6617 -206589.1568 17885.7495 0.0000 0.0000 34382.9563 -149473.5057 300.2749 -183856.4620 -149379.6226 298.2467 47.9645 79.0962 556348.1736 -2.2840 -2.3436 PRESSURE: 1438800 -145.034 -16.3399 -118.373 -16.3404 245.643 -85.5749 -118.372 -85.5742 -90.7322 GPRESSURE: 1438800 -136.762 55.9978 -163.523 -69.0069 281.821 -213.857 -195.573 -34.3163 -27.7746 PRESSAVG: 1438800 48.4023 25.4212 6.24915 25.4211 -45.7818 -15.195 6.24923 -15.1949 11.9347 GPRESSAVG: 1438800 48.5642 25.7121 6.23971 25.1855 -45.985 -14.1297 5.72815 -13.431 11.7604 TIMING: 1438800 CPU: 4278.04, 0.0029599/step Wall: 4278.04, 0.0029599/step, 2.928 hours remaining, 207.335938 MB of memory in use. ENERGY: 1438800 755.8375 2105.1666 1947.9607 104.8253 -206382.8921 17687.2106 0.0000 0.0000 34364.0631 -149417.8284 300.1099 -183781.8914 -149327.2586 298.8494 3.2923 39.0950 554831.6477 4.8517 4.7799 PRESSURE: 1439000 -146.57 15.0789 -139.828 15.08 -162.886 39.0222 -139.828 39.0225 -185.171 GPRESSURE: 1439000 -167.97 -107.122 -133.641 74.2391 -118.67 28.2497 -86.1528 -3.56747 -117.146 PRESSAVG: 1439000 -15.9083 -7.4542 -12.6481 -7.45433 -55.8989 -14.1252 -12.6482 -14.1251 53.0515 GPRESSAVG: 1439000 -15.2252 -6.92305 -11.0883 -7.71373 -55.2596 -13.2361 -11.7446 -15.6893 52.0202 TIMING: 1439000 CPU: 4278.63, 0.00295894/step Wall: 4278.63, 0.00295894/step, 2.92689 hours remaining, 207.335938 MB of memory in use. ENERGY: 1439000 746.6858 2079.5421 1972.6851 103.8891 -206182.5639 17655.7795 0.0000 0.0000 33957.6116 -149666.3708 296.5603 -183623.9824 -149570.4306 298.7047 -164.8758 -134.5953 557196.6967 -6.2519 -6.1549 PRESSURE: 1439200 1.58867 207.383 71.1509 207.383 115.716 -140.31 71.152 -140.308 148.526 GPRESSURE: 1439200 34.3792 255.729 39.5636 222.08 139.019 -171.849 54.8114 -131.685 181.314 PRESSAVG: 1439200 -32.6437 45.9057 7.05327 45.9057 5.37677 -14.5447 7.05333 -14.5448 22.5116 GPRESSAVG: 1439200 -32.8803 45.3072 5.51042 45.3094 5.08374 -13.8844 7.3472 -15.2842 23.077 TIMING: 1439200 CPU: 4279.22, 0.00296094/step Wall: 4279.22, 0.00296094/step, 2.9287 hours remaining, 207.335938 MB of memory in use. ENERGY: 1439200 755.7106 2101.3972 1965.2617 103.4640 -206862.4313 18048.4137 0.0000 0.0000 34261.8312 -149626.3530 299.2171 -183888.1841 -149528.6330 298.6533 88.6104 118.2374 554879.9271 -1.5851 -1.5732 PRESSURE: 1439400 -96.5882 98.8302 44.8663 98.8302 329.606 -30.589 44.866 -30.5891 133.981 GPRESSURE: 1439400 -0.943026 175.935 63.1304 96.4056 349.594 -40.5937 32.0279 -31.327 114.489 PRESSAVG: 1439400 -1.84166 -3.76805 9.94943 -3.76798 20.0015 40.5597 9.94948 40.5597 15.5344 GPRESSAVG: 1439400 -2.40905 -3.7921 9.22526 -3.19783 20.4405 42.1407 9.41421 40.0367 15.9805 TIMING: 1439400 CPU: 4279.81, 0.002963/step Wall: 4279.81, 0.002963/step, 2.93057 hours remaining, 207.335938 MB of memory in use. ENERGY: 1439400 748.7577 2127.0831 1965.7308 99.8555 -206892.8040 18094.7467 0.0000 0.0000 34174.6593 -149681.9710 298.4558 -183856.6303 -149587.4160 297.8552 122.3331 154.3799 555731.4060 11.2314 11.3373 PRESSURE: 1439600 98.8639 -110.702 -26.44 -110.704 1.70322 91.4822 -26.4384 91.4818 -114.719 GPRESSURE: 1439600 114.499 -104.414 -55.8158 -147.872 54.0089 123.673 -25.4313 105.308 -80.8434 PRESSAVG: 1439600 -7.33679 -29.0986 46.5542 -29.0986 45.2396 34.4125 46.5541 34.4125 -26.4118 GPRESSAVG: 1439600 -7.42302 -30.4165 48.4624 -28.4832 44.2432 31.8297 46.2916 34.9792 -25.9498 TIMING: 1439600 CPU: 4280.4, 0.00295049/step Wall: 4280.4, 0.00295049/step, 2.91803 hours remaining, 207.335938 MB of memory in use. ENERGY: 1439600 719.2333 2105.2030 1930.8052 107.9997 -206433.1747 17770.1932 0.0000 0.0000 34007.4865 -149792.2540 296.9958 -183799.7405 -149693.5621 297.1294 -4.7172 29.2214 555821.3310 3.8304 3.6235 PRESSURE: 1439800 -20.7754 192.475 6.04686 192.475 -268.166 149.789 6.04566 149.788 -17.5659 GPRESSURE: 1439800 22.9607 211.548 99.9101 152.457 -228.119 179.891 -53.5744 117.438 6.42682 PRESSAVG: 1439800 -1.2229 34.1315 -28.2354 34.1316 32.6586 -43.0337 -28.2354 -43.0337 -49.3153 GPRESSAVG: 1439800 -0.189317 35.5073 -27.6677 33.1755 32.0163 -41.2471 -27.7362 -42.1671 -49.1721 TIMING: 1439800 CPU: 4280.99, 0.00294143/step Wall: 4280.99, 0.00294143/step, 2.90891 hours remaining, 207.335938 MB of memory in use. ENERGY: 1439800 750.3311 2094.6713 1952.0173 125.1785 -206816.1280 17940.5742 0.0000 0.0000 34163.5787 -149789.7769 298.3590 -183953.3556 -149688.2531 297.6676 -102.1690 -66.2439 556935.8321 -5.9599 -5.7817 PRESSURE: 1440000 -23.611 22.6649 164.817 22.6646 -33.8145 109.369 164.818 109.369 43.5654 GPRESSURE: 1440000 -27.4847 -6.97052 108.412 35.0431 85.4838 121.893 148.288 77.4322 33.8438 PRESSAVG: 1440000 6.32415 10.1289 29.8176 10.1289 27.6399 -12.3799 29.8175 -12.3798 -54.2611 GPRESSAVG: 1440000 5.5303 9.65743 28.8377 11.8247 27.3298 -13.6218 29.0993 -11.5254 -53.4708 TIMING: 1440000 CPU: 4281.58, 0.00293627/step Wall: 4281.58, 0.00293627/step, 2.90364 hours remaining, 207.335938 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: 1440000 778.0045 2044.2782 1935.5965 113.3277 -206673.5793 17960.8811 0.0000 0.0000 34168.7730 -149672.7184 298.4044 -183841.4913 -149576.6914 297.8496 -4.6200 30.6143 555809.3649 -6.7657 -6.8702 PRESSURE: 1440200 -246.925 27.7725 130.907 27.7734 -112.185 -53.2642 130.908 -53.2636 138.205 GPRESSURE: 1440200 -179.654 88.2466 150.172 61.3741 -81.333 38.337 154.971 -96.4254 145.702 PRESSAVG: 1440200 -14.8283 48.0241 23.2234 48.024 54.742 20.8361 23.2233 20.836 -17.4873 GPRESSAVG: 1440200 -14.4047 48.7743 24.1535 46.0626 54.9026 21.7087 23.249 18.3916 -18.5301 TIMING: 1440200 CPU: 4282.17, 0.00294544/step Wall: 4282.17, 0.00294544/step, 2.91255 hours remaining, 207.335938 MB of memory in use. ENERGY: 1440200 764.4058 2029.5325 1967.4182 108.1861 -206136.4307 17704.4880 0.0000 0.0000 34047.3918 -149515.0084 297.3443 -183562.4002 -149421.6202 298.5856 -73.6350 -38.4283 556928.8237 7.4755 7.3226 LDB: ============= START OF LOAD BALANCING ============== 4285.6 LDB: ============== END OF LOAD BALANCING =============== 4285.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4285.6 LDB: ============= START OF LOAD BALANCING ============== 4285.9 LDB: Largest compute 4847 load 0.028083 is 23.8% of average load 0.118025 LDB: Average compute 0.001726 is 1.5% of average load 0.118025 LDB: TIME 4285.9 LOAD: AVG 0.118025 MAX 0.197538 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.203 MB LDB: TIME 4285.9 LOAD: AVG 0.118025 MAX 0.197538 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.406 MB LDB: TIME 4285.9 LOAD: AVG 0.118025 MAX 0.197538 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4285.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4285.9 PRESSURE: 1440400 -74.887 9.3025 33.6408 9.3022 -180.749 52.1326 33.6416 52.1326 -158.883 GPRESSURE: 1440400 -16.3027 -12.2666 55.5302 -24.0727 -160.961 104.032 5.08224 -16.3508 -131.757 PRESSAVG: 1440400 -71.4002 8.97428 12.9724 8.97425 62.6319 25.3683 12.9724 25.3683 61.1441 GPRESSAVG: 1440400 -72.1408 7.98738 11.5145 9.56795 62.0294 24.2045 14.5512 28.2085 61.994 TIMING: 1440400 CPU: 4282.77, 0.00302858/step Wall: 4282.77, 0.00302858/step, 2.9946 hours remaining, 206.566406 MB of memory in use. ENERGY: 1440400 755.8069 2118.6134 1980.6633 96.7944 -206216.4112 17650.6538 0.0000 0.0000 34231.1571 -149382.7223 298.9492 -183613.8793 -149292.7877 299.0041 -138.1731 -103.0066 558200.6782 17.4586 17.2942 PRESSURE: 1440600 43.4366 61.4912 27.4696 61.4929 -164.889 34.6283 27.4694 34.6282 149.264 GPRESSURE: 1440600 67.0241 44.9639 75.527 121.041 -147.673 16.1269 138.307 59.0708 192.274 PRESSAVG: 1440600 3.87142 81.1494 -47.2375 81.1494 52.602 45.3082 -47.2376 45.3082 -42.1652 GPRESSAVG: 1440600 4.04211 82.473 -45.7361 81.7957 53.2384 44.7398 -48.4959 45.2219 -43.0177 TIMING: 1440600 CPU: 4283.37, 0.00297229/step Wall: 4283.37, 0.00297229/step, 2.93877 hours remaining, 206.566406 MB of memory in use. ENERGY: 1440600 745.5202 2112.0298 1983.5554 114.8244 -206206.1349 17852.4983 0.0000 0.0000 34131.4932 -149266.2135 298.0788 -183397.7067 -149168.2264 298.7006 9.2705 37.2083 559014.0060 4.7694 4.7542 PRESSURE: 1440800 -151.369 42.4449 -3.45009 42.4455 -95.392 15.8797 -3.45003 15.8796 13.9176 GPRESSURE: 1440800 -102.668 24.9449 -28.9546 68.0612 -51.6554 -40.9986 -5.50874 15.2708 16.963 PRESSAVG: 1440800 -4.59317 -7.11256 17.6467 -7.1126 -65.9112 51.7735 17.6467 51.7734 16.9221 GPRESSAVG: 1440800 -5.2918 -8.70548 16.9885 -7.00049 -66.073 52.1148 17.1909 51.2277 17.5206 TIMING: 1440800 CPU: 4283.96, 0.00296587/step Wall: 4283.96, 0.00296587/step, 2.93225 hours remaining, 206.566406 MB of memory in use. ENERGY: 1440800 739.0098 2123.4296 1986.9964 117.6304 -206267.2288 17825.4191 0.0000 0.0000 34215.6463 -149259.0971 298.8137 -183474.7434 -149160.5419 298.9021 -77.6145 -45.7867 558262.7414 -17.8608 -17.9481 PRESSURE: 1441000 109.182 -35.8926 -172.259 -35.8912 -130.168 30.4728 -172.259 30.474 -7.49539 GPRESSURE: 1441000 163.211 -121.741 -126.655 -23.5914 -95.4079 62.1875 -144.233 59.8751 6.03882 PRESSAVG: 1441000 -26.6187 14.7308 -45.7622 14.7308 3.8734 47.5597 -45.7621 47.5596 31.122 GPRESSAVG: 1441000 -25.5814 14.4916 -43.5383 14.2338 3.77918 46.6781 -46.2036 48.7117 30.6145 TIMING: 1441000 CPU: 4284.56, 0.00297077/step Wall: 4284.56, 0.00297077/step, 2.93694 hours remaining, 206.566406 MB of memory in use. ENERGY: 1441000 753.1625 2081.6431 1973.9674 115.2667 -206052.6434 17711.3772 0.0000 0.0000 33910.7644 -149506.4620 296.1511 -183417.2264 -149408.9914 298.4877 -9.4941 24.6139 556575.6088 2.7922 2.9374 PRESSURE: 1441200 150.781 64.5876 29.1966 64.5875 289.371 -15.1657 29.1977 -15.166 46.8723 GPRESSURE: 1441200 163.611 33.642 72.1212 7.80974 307.046 -11.175 -33.1065 -18.6657 109.204 PRESSAVG: 1441200 75.3923 13.7667 -14.1291 13.7668 28.4646 39.5285 -14.129 39.5285 -69.0353 GPRESSAVG: 1441200 74.8281 15.5007 -15.413 12.4902 29.2626 39.4716 -14.3479 40.8472 -69.4273 TIMING: 1441200 CPU: 4285.15, 0.00299303/step Wall: 4285.15, 0.00299303/step, 2.95877 hours remaining, 206.566406 MB of memory in use. ENERGY: 1441200 748.9051 2082.5338 1923.0236 114.0259 -206543.8540 18168.5112 0.0000 0.0000 34107.1724 -149399.6819 297.8664 -183506.8544 -149306.0349 298.7638 162.3414 193.2870 557555.1527 11.6072 11.5545 PRESSURE: 1441400 -172.702 48.0833 -126.335 48.083 89.1981 -40.9911 -126.335 -40.992 -431.663 GPRESSURE: 1441400 -161.512 5.21178 -135.113 22.2332 59.207 -97.4202 -57.9034 -32.5223 -324.744 PRESSAVG: 1441400 8.53489 -37.6122 -3.7269 -37.6121 27.3432 19.27 -3.72693 19.2699 -77.6247 GPRESSAVG: 1441400 9.09735 -40.3662 -3.33966 -35.4784 26.8196 19.1576 -3.0316 19.1286 -78.3755 TIMING: 1441400 CPU: 4285.75, 0.00297581/step Wall: 4285.75, 0.00297581/step, 2.94158 hours remaining, 206.566406 MB of memory in use. ENERGY: 1441400 712.6405 2069.3910 1927.1141 111.5460 -205751.3338 17504.5709 0.0000 0.0000 34122.0600 -149304.0112 297.9964 -183426.0712 -149206.9236 298.4133 -171.7220 -142.3496 558624.7246 -13.9155 -14.1528 PRESSURE: 1441600 -114.135 47.9743 -75.253 47.9733 -0.746853 112.073 -75.2528 112.072 -423.368 GPRESSURE: 1441600 -115.005 43.1093 -70.9931 86.571 64.3697 110.038 -80.682 66.9124 -387.935 PRESSAVG: 1441600 55.9988 -24.0636 20.5432 -24.0636 34.9813 45.5803 20.5432 45.5803 -80.4754 GPRESSAVG: 1441600 55.799 -20.7649 18.5596 -25.5722 33.8626 47.1554 22.1107 43.4789 -79.5609 TIMING: 1441600 CPU: 4286.35, 0.00298444/step Wall: 4286.35, 0.00298444/step, 2.94995 hours remaining, 206.566406 MB of memory in use. ENERGY: 1441600 782.9290 2044.7924 1980.9739 113.7261 -206049.6269 17660.9679 0.0000 0.0000 34313.9593 -149152.2782 299.6723 -183466.2375 -149057.2897 299.1680 -179.4164 -146.1903 559140.4326 3.5016 3.3669 PRESSURE: 1441800 86.1375 55.3227 -47.5211 55.3219 227.691 27.073 -47.5204 27.0732 113.061 GPRESSURE: 1441800 82.9102 62.5869 -18.0894 -25.4051 266.594 13.9697 -24.1381 156.171 162.663 PRESSAVG: 1441800 -3.58058 -11.1149 -4.6878 -11.1148 1.58357 59.7577 -4.68781 59.7578 23.8032 GPRESSAVG: 1441800 -4.47081 -14.0312 -2.65744 -9.56387 3.18009 58.1168 -7.53214 61.0964 23.3044 TIMING: 1441800 CPU: 4286.95, 0.00300601/step Wall: 4286.95, 0.00300601/step, 2.97111 hours remaining, 206.566406 MB of memory in use. ENERGY: 1441800 755.5042 2082.7441 1981.0710 112.9470 -206839.3656 18086.3381 0.0000 0.0000 34450.1444 -149370.6170 300.8617 -183820.7613 -149277.1380 299.0884 142.2964 170.7221 557033.6694 7.2687 7.3379 PRESSURE: 1442000 -154.14 110.235 -104.548 110.235 -22.2823 6.07464 -104.548 6.07393 184.722 GPRESSURE: 1442000 -133.3 174.009 -90.955 41.6804 -12.3164 -30.826 -43.6091 60.9449 255.156 PRESSAVG: 1442000 26.9389 5.95655 -16.4069 5.9565 27.2907 77.8282 -16.4069 77.8283 -12.0496 GPRESSAVG: 1442000 27.6318 7.50271 -16.528 4.54471 26.9419 78.5728 -14.6104 77.5897 -12.6077 TIMING: 1442000 CPU: 4287.54, 0.00298052/step Wall: 4287.54, 0.00298052/step, 2.94575 hours remaining, 206.566406 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: 1442000 757.9830 2056.8310 1940.6540 109.1382 -206265.5140 17771.3109 0.0000 0.0000 34262.4535 -149367.1434 299.2225 -183629.5969 -149276.3196 298.8001 2.7667 36.5134 557433.4801 14.0600 13.9886 PRESSURE: 1442200 116.174 -183.04 -204.427 -183.039 88.2533 -47.4465 -204.427 -47.4476 -72.3446 GPRESSURE: 1442200 119.419 -99.9728 -146.365 -149.28 97.7462 52.0796 -294.038 -114.011 1.65004 PRESSAVG: 1442200 36.8738 20.2132 -77.4558 20.2133 -35.008 79.9868 -77.4559 79.9868 -8.41544 GPRESSAVG: 1442200 36.5461 22.0212 -79.1662 19.7221 -35.5213 79.2245 -75.9118 79.2418 -7.62774 TIMING: 1442200 CPU: 4288.14, 0.00299472/step Wall: 4288.14, 0.00299472/step, 2.95962 hours remaining, 206.566406 MB of memory in use. ENERGY: 1442200 744.2535 2081.8967 1941.8368 125.4834 -206648.7499 18111.9451 0.0000 0.0000 34277.7776 -149365.5569 299.3564 -183643.3345 -149270.9446 298.8912 44.0276 72.9384 558688.9665 -2.1832 -2.2010 PRESSURE: 1442400 -91.4251 -122.674 -27.4378 -122.674 -134.649 69.7981 -27.4378 69.7974 0.167855 GPRESSURE: 1442400 -45.1811 -82.2046 -13.7514 -107.075 -79.1883 21.137 71.382 96.9336 -11.5981 PRESSAVG: 1442400 16.2603 -23.1692 -31.1783 -23.1692 -24.3302 -20.8584 -31.1783 -20.8583 -24.9561 GPRESSAVG: 1442400 16.1875 -24.6088 -29.5738 -23.081 -24.7317 -20.1396 -33.7072 -21.552 -24.2922 TIMING: 1442400 CPU: 4288.74, 0.00298375/step Wall: 4288.74, 0.00298375/step, 2.9486 hours remaining, 206.566406 MB of memory in use. ENERGY: 1442400 731.2485 2082.4380 1963.9094 111.4302 -206055.6908 17775.5891 0.0000 0.0000 34225.8321 -149165.2433 298.9027 -183391.0754 -149072.7985 299.4736 -75.3022 -45.3225 559685.7559 -11.0087 -10.9455 PRESSURE: 1442600 322.901 -11.8005 -76.6761 -11.7991 46.9437 -15.6019 -76.6765 -15.6037 -16.3663 GPRESSURE: 1442600 308.154 57.5182 -24.5056 -26.0234 70.6485 3.54196 -48.1814 -14.7023 79.5615 PRESSAVG: 1442600 -2.36088 24.2778 16.5214 24.2777 7.10544 73.9729 16.5215 73.9728 7.42694 GPRESSAVG: 1442600 -1.77112 23.6345 17.6005 23.9509 7.46964 74.7032 16.663 73.7545 7.1205 TIMING: 1442600 CPU: 4289.34, 0.00298281/step Wall: 4289.34, 0.00298281/step, 2.94751 hours remaining, 206.566406 MB of memory in use. ENERGY: 1442600 736.6585 2163.9323 1933.5852 114.8974 -206420.3553 17948.8266 0.0000 0.0000 34130.4421 -149392.0132 298.0696 -183522.4552 -149300.0733 299.3177 117.8260 152.7879 557751.5554 4.0572 4.2730 PRESSURE: 1442800 3.22828 -176.586 -36.5452 -176.586 -103.643 26.2116 -36.5436 26.2094 115.555 GPRESSURE: 1442800 47.3675 -110.864 6.19696 -202.796 -39.42 69.0648 -31.953 66.6239 119.815 PRESSAVG: 1442800 8.38609 21.3099 -14.7237 21.3099 0.806484 -14.2751 -14.7236 -14.2752 -11.0153 GPRESSAVG: 1442800 8.70798 22.9672 -16.075 20.9061 0.450446 -15.9489 -13.4173 -12.7124 -11.2188 TIMING: 1442800 CPU: 4289.93, 0.0029685/step Wall: 4289.93, 0.0029685/step, 2.93321 hours remaining, 206.566406 MB of memory in use. ENERGY: 1442800 766.2514 2119.1621 1956.7565 110.4157 -206787.9831 18160.1304 0.0000 0.0000 34229.1073 -149446.1598 298.9313 -183675.2671 -149351.5727 298.2095 5.0468 42.5874 558595.0605 -0.6076 -0.6868 PRESSURE: 1443000 -209.912 -134.792 17.6723 -134.793 -222.979 -57.2406 17.6711 -57.2393 55.5091 GPRESSURE: 1443000 -138.024 -97.0514 -64.33 -78.6817 -180.303 -90.7759 -52.2231 -20.1565 49.111 PRESSAVG: 1443000 -46.3456 3.37573 35.2929 3.3757 -27.3339 -5.0478 35.2929 -5.04771 60.3762 GPRESSAVG: 1443000 -46.1456 0.976597 36.1834 5.8491 -26.8819 -1.36463 32.7855 -5.09178 59.7792 TIMING: 1443000 CPU: 4290.52, 0.00297477/step Wall: 4290.52, 0.00297477/step, 2.93924 hours remaining, 206.566406 MB of memory in use. ENERGY: 1443000 754.1972 2096.9665 1978.5873 107.0682 -206392.7067 17779.1964 0.0000 0.0000 34171.8307 -149504.8604 298.4311 -183676.6911 -149409.2078 298.5994 -125.7940 -89.7385 558325.5667 -4.4344 -4.4161 PRESSURE: 1443200 -171.28 -4.00951 -42.1538 -4.00957 10.8385 -36.7968 -42.1554 -36.7958 174.352 GPRESSURE: 1443200 -110.256 -37.1046 -95.2326 57.1117 90.2283 -176.293 -51.2104 33.7121 140.876 PRESSAVG: 1443200 -26.0987 4.25499 -3.0358 4.25499 21.4764 69.8855 -3.03579 69.8855 -8.05214 GPRESSAVG: 1443200 -27.5476 3.88751 -2.45625 3.44175 23.104 68.6773 -2.3642 69.9865 -7.41809 TIMING: 1443200 CPU: 4291.12, 0.00295603/step Wall: 4291.12, 0.00295603/step, 2.92056 hours remaining, 206.566406 MB of memory in use. ENERGY: 1443200 778.8141 2076.5003 1925.1958 113.3294 -206732.4861 18028.9540 0.0000 0.0000 34232.3035 -149577.3891 298.9592 -183809.6925 -149478.8711 298.0229 4.6368 40.2825 556682.4588 -4.2248 -3.9539 PRESSURE: 1443400 -98.2621 13.944 -38.184 13.9445 -221.846 -20.1407 -38.185 -20.1418 102.654 GPRESSURE: 1443400 -86.2328 -9.91258 -110.337 -102.617 -186.509 -74.2143 26.5307 -48.056 165.605 PRESSAVG: 1443400 11.4184 15.0019 0.113968 15.0021 24.7418 -0.371568 0.113916 -0.37175 -10.4861 GPRESSAVG: 1443400 12.2052 14.5258 0.210503 11.5516 23.1306 -0.937841 -0.261832 -1.36721 -9.33077 TIMING: 1443400 CPU: 4291.71, 0.00297446/step Wall: 4291.71, 0.00297446/step, 2.9386 hours remaining, 206.566406 MB of memory in use. ENERGY: 1443400 762.7193 2026.7033 1988.0010 113.7942 -206513.5544 17917.2089 0.0000 0.0000 34167.0247 -149538.1031 298.3891 -183705.1277 -149443.4957 298.4134 -72.4846 -35.7123 557843.3655 8.5581 8.6683 PRESSURE: 1443600 122.395 117.908 -75.5724 117.908 -221.893 -96.3233 -75.5735 -96.3231 15.5637 GPRESSURE: 1443600 118.329 18.5054 -69.6995 136.551 -135.078 -181.372 -90.5867 -39.1926 31.008 PRESSAVG: 1443600 26.1027 -12.9452 -23.4908 -12.9454 -32.74 19.1738 -23.4908 19.1737 18.0571 GPRESSAVG: 1443600 25.6331 -11.8017 -25.5357 -11.6014 -31.5283 19.2609 -20.7632 18.9703 17.2515 TIMING: 1443600 CPU: 4292.31, 0.00298249/step Wall: 4292.31, 0.00298249/step, 2.94637 hours remaining, 206.566406 MB of memory in use. ENERGY: 1443600 759.5374 2117.9473 1937.8721 116.6431 -206215.7343 17752.0328 0.0000 0.0000 34193.6834 -149338.0183 298.6219 -183531.7016 -149244.4664 298.7018 -27.9779 4.7530 557685.8358 3.8066 3.7854 PRESSURE: 1443800 -189.885 -170.708 -146.882 -170.709 -84.995 35.213 -146.881 35.2124 -26.2908 GPRESSURE: 1443800 -94.4892 -128.058 -36.896 -165.923 -73.6144 62.3943 -224.225 89.0796 -44.0438 PRESSAVG: 1443800 -12.9352 -4.23185 19.3435 -4.23182 0.314251 -52.4413 19.3434 -52.4413 -27.763 GPRESSAVG: 1443800 -10.5196 -2.41378 20.9061 -4.61659 -0.546377 -53.1473 16.3647 -51.0275 -29.4648 TIMING: 1443800 CPU: 4292.91, 0.00300082/step Wall: 4292.91, 0.00300082/step, 2.96431 hours remaining, 206.566406 MB of memory in use. ENERGY: 1443800 744.4476 2088.3133 1959.0023 117.4559 -206061.7701 17560.3704 0.0000 0.0000 34331.2830 -149260.8977 299.8236 -183592.1807 -149162.6830 298.8289 -100.3904 -70.7158 557925.9182 -13.4613 -13.5103 PRESSURE: 1444000 -143.828 -79.7571 54.1038 -79.7575 46.4784 21.2732 54.1037 21.2727 111.549 GPRESSURE: 1444000 -155.235 -99.8686 -43.7345 -5.34965 74.4507 -63.2239 7.871 -8.24154 186.634 PRESSAVG: 1444000 -76.4096 12.04 10.7992 12.04 59.4235 15.9178 10.7992 15.9178 6.34106 GPRESSAVG: 1444000 -77.1388 7.40965 9.70583 14.3962 59.6855 16.0379 12.2262 14.6541 7.07998 TIMING: 1444000 CPU: 4293.5, 0.00297781/step Wall: 4293.5, 0.00297781/step, 2.94142 hours remaining, 206.566406 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: 1444000 720.5461 2107.8579 1962.5166 113.2582 -206120.2137 17797.9990 0.0000 0.0000 34129.2983 -149288.7376 298.0597 -183418.0359 -149190.4733 298.3030 4.7331 35.2832 558037.3939 -3.5483 -3.4578 PRESSURE: 1444200 284.047 -138.829 25.6681 -138.828 -115.952 -45.2634 25.668 -45.263 -78.4103 GPRESSURE: 1444200 345.361 -128.568 58.0725 -119.712 -77.293 -57.0903 26.7415 -91.7992 -83.2293 PRESSAVG: 1444200 -9.09625 24.6207 -1.66009 24.6206 -52.3361 -17.9204 -1.66007 -17.9204 38.6019 GPRESSAVG: 1444200 -8.53922 27.2499 -1.03859 22.0966 -54.355 -18.8747 -3.69032 -17.5678 39.8601 TIMING: 1444200 CPU: 4294.1, 0.00297579/step Wall: 4294.1, 0.00297579/step, 2.93925 hours remaining, 206.566406 MB of memory in use. ENERGY: 1444200 744.6263 2045.5464 1943.1231 111.3045 -206117.8329 17801.9404 0.0000 0.0000 34053.7387 -149417.5536 297.3998 -183471.2922 -149316.5579 298.3370 29.8949 61.6129 558475.9513 -7.6102 -7.6780 LDB: ============= START OF LOAD BALANCING ============== 4297.53 LDB: ============== END OF LOAD BALANCING =============== 4297.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4297.53 LDB: ============= START OF LOAD BALANCING ============== 4297.83 LDB: Largest compute 4847 load 0.027678 is 23.4% of average load 0.118031 LDB: Average compute 0.001718 is 1.5% of average load 0.118031 LDB: TIME 4297.83 LOAD: AVG 0.118031 MAX 0.20498 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.125 MB LDB: TIME 4297.83 LOAD: AVG 0.118031 MAX 0.20498 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.125 MB LDB: TIME 4297.83 LOAD: AVG 0.118031 MAX 0.20498 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.125 MB LDB: ============== END OF LOAD BALANCING =============== 4297.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4297.84 PRESSURE: 1444400 193.751 41.9861 18.5739 41.9864 220.761 24.3655 18.5742 24.3647 -105.88 GPRESSURE: 1444400 180.149 78.2493 -48.4401 96.374 261.839 -44.9221 -54.1929 26.6161 -45.4942 PRESSAVG: 1444400 72.9307 -14.4447 -80.0959 -14.4447 36.6493 3.36401 -80.0959 3.36405 -52.8209 GPRESSAVG: 1444400 71.3092 -13.9025 -81.7052 -13.4962 37.6824 4.48175 -77.7653 3.98472 -52.3272 TIMING: 1444400 CPU: 4294.71, 0.0030519/step Wall: 4294.71, 0.0030519/step, 3.01426 hours remaining, 206.769531 MB of memory in use. ENERGY: 1444400 724.7173 2108.0182 1948.5260 113.5172 -206576.1205 18140.7865 0.0000 0.0000 34139.6855 -149400.8697 298.1504 -183540.5552 -149301.2201 298.4764 102.8771 132.1646 557874.8629 18.9197 18.8881 PRESSURE: 1444600 -103.252 -59.1515 106.73 -59.1521 -120.672 -33.9399 106.73 -33.9398 25.0604 GPRESSURE: 1444600 -34.9065 -52.4203 166.428 -56.4596 -131.333 91.9895 56.5907 -109.784 63.922 PRESSAVG: 1444600 30.1332 -33.8213 12.4391 -33.8213 -77.6336 -1.8196 12.4391 -1.8196 45.7956 GPRESSAVG: 1444600 30.3518 -33.8481 14.6026 -33.6664 -77.9682 -2.0774 11.1677 -2.72702 46.4165 TIMING: 1444600 CPU: 4295.3, 0.0029726/step Wall: 4295.3, 0.0029726/step, 2.93577 hours remaining, 206.769531 MB of memory in use. ENERGY: 1444600 747.5816 2092.9295 1954.4336 117.4382 -206439.5102 17944.3797 0.0000 0.0000 34248.5460 -149334.2016 299.1011 -183582.7477 -149241.7856 298.3511 -66.2879 -34.1059 560169.8149 -0.5683 -0.4000 PRESSURE: 1444800 88.8105 -62.2971 -69.9444 -62.2978 191.823 23.3886 -69.9455 23.3902 13.7069 GPRESSURE: 1444800 69.5868 -76.1238 -26.4608 -43.0463 263.921 55.8793 -29.1862 -10.5526 48.0987 PRESSAVG: 1444800 -2.07367 41.1216 -19.6918 41.1216 -24.9413 21.2699 -19.6918 21.2699 28.9656 GPRESSAVG: 1444800 -1.42223 41.4243 -20.1547 40.7402 -24.2085 21.5536 -19.6957 21.7704 27.5087 TIMING: 1444800 CPU: 4295.9, 0.00300717/step Wall: 4295.9, 0.00300717/step, 2.96975 hours remaining, 206.769531 MB of memory in use. ENERGY: 1444800 738.4880 2162.3819 1938.7340 122.2801 -206359.8188 17944.1608 0.0000 0.0000 34063.9785 -149389.7956 297.4892 -183453.7741 -149284.1803 298.6414 98.1134 127.2021 557290.8821 0.6502 0.6260 PRESSURE: 1445000 -95.7028 21.5903 52.8695 21.5893 119.04 34.7647 52.8684 34.7625 -29.7788 GPRESSURE: 1445000 1.39773 -57.0333 22.6693 22.2946 147.262 -4.07892 125.084 78.0916 -51.3529 PRESSAVG: 1445000 -14.0872 1.02689 -35.8824 1.02691 6.53684 -23.7131 -35.8825 -23.7131 38.4449 GPRESSAVG: 1445000 -14.1062 1.54001 -35.9711 0.792826 6.39917 -22.2267 -34.1328 -24.496 38.927 TIMING: 1445000 CPU: 4296.5, 0.00298321/step Wall: 4296.5, 0.00298321/step, 2.94592 hours remaining, 206.769531 MB of memory in use. ENERGY: 1445000 725.2416 2092.9235 1942.7350 106.7068 -206249.1603 17696.3715 0.0000 0.0000 34340.1067 -149345.0753 299.9007 -183685.1820 -149250.0933 298.7530 -2.1472 32.4357 556407.8641 10.2982 10.4067 PRESSURE: 1445200 -148.108 -130.609 -16.1695 -130.609 -157.266 82.8836 -16.1701 82.884 42.354 GPRESSURE: 1445200 -137.449 -105.376 59.6928 -118.205 -79.2193 79.3123 -55.8398 78.4341 54.7867 PRESSAVG: 1445200 -21.0933 -3.68286 18.1849 -3.68288 3.25177 33.3166 18.1849 33.3166 -2.42714 GPRESSAVG: 1445200 -21.1004 -4.53215 17.1899 -3.55752 2.64055 30.7126 20 34.6043 -1.50658 TIMING: 1445200 CPU: 4297.09, 0.00294707/step Wall: 4297.09, 0.00294707/step, 2.91007 hours remaining, 206.769531 MB of memory in use. ENERGY: 1445200 752.6204 2069.3553 1952.9285 122.3657 -206083.5845 17695.6003 0.0000 0.0000 34178.9957 -149311.7185 298.4937 -183490.7142 -149221.1211 299.3259 -87.6736 -53.9606 556721.7802 -6.7562 -6.6555 PRESSURE: 1445400 147.99 88.2962 -105.189 88.2977 -17.5013 12.0806 -105.19 12.0814 -227.122 GPRESSURE: 1445400 214.448 107.523 -98.0451 54.4379 18.2178 -31.5868 -154.374 53.1387 -243.719 PRESSAVG: 1445400 41.1978 14.9208 -22.7 14.9209 -40.5441 7.76027 -22.7002 7.76027 -6.15203 GPRESSAVG: 1445400 40.2766 14.9971 -20.9357 16.2304 -38.7671 9.87504 -25.6177 7.10016 -6.98628 TIMING: 1445400 CPU: 4297.68, 0.00296375/step Wall: 4297.68, 0.00296375/step, 2.92638 hours remaining, 206.769531 MB of memory in use. ENERGY: 1445400 775.9464 2044.4903 1932.3252 110.9129 -206280.1785 17886.2953 0.0000 0.0000 34217.0245 -149313.1838 298.8258 -183530.2083 -149208.0610 298.9362 -32.2110 -3.6846 557224.1798 -1.8328 -1.8256 PRESSURE: 1445600 160.869 48.5217 -54.5032 48.5206 -162.998 71.7806 -54.5023 71.779 167.262 GPRESSURE: 1445600 150.816 50.34 -7.60021 52.5331 -151.832 127.433 -57.3286 46.406 265.866 PRESSAVG: 1445600 17.4027 40.7782 -35.5089 40.7783 3.1961 -1.71676 -35.5089 -1.71666 -13.0104 GPRESSAVG: 1445600 18.4474 41.0585 -35.0617 39.0232 2.37785 -3.49224 -34.9517 -0.947265 -13.2406 TIMING: 1445600 CPU: 4298.28, 0.00296588/step Wall: 4298.28, 0.00296588/step, 2.92832 hours remaining, 206.769531 MB of memory in use. ENERGY: 1445600 750.7275 2048.1735 1970.1842 112.2800 -206346.1494 17985.5448 0.0000 0.0000 34155.5836 -149323.6558 298.2892 -183479.2394 -149229.1133 298.9559 55.0444 88.2835 556523.8318 2.5295 2.5282 PRESSURE: 1445800 -321.114 -218.356 5.34666 -218.356 -76.9351 -1.9273 5.34651 -1.92532 -293.591 GPRESSURE: 1445800 -273.95 -207.343 -35.3914 -218.348 -72.7353 -38.5425 -4.15108 0.796596 -241.246 PRESSAVG: 1445800 6.04713 3.2107 22.5454 3.2106 -14.4218 -36.6097 22.5454 -36.6097 62.7562 GPRESSAVG: 1445800 5.45251 4.13244 19.7263 4.76352 -15.2514 -35.1312 22.6798 -36.4172 63.998 TIMING: 1445800 CPU: 4298.87, 0.00298235/step Wall: 4298.87, 0.00298235/step, 2.94441 hours remaining, 206.769531 MB of memory in use. ENERGY: 1445800 760.8036 2106.3855 1954.2544 111.1885 -206004.3520 17687.1689 0.0000 0.0000 34099.3744 -149285.1765 297.7983 -183384.5509 -149187.4254 298.6725 -230.5469 -195.9770 560146.3139 18.1272 18.0664 PRESSURE: 1446000 -104.345 -124.922 -112.014 -124.923 -77.727 -99.0923 -112.013 -99.0927 -32.8583 GPRESSURE: 1446000 -67.4467 -64.9215 -135.591 -118.298 -40.9993 -64.8189 -17.3499 -130.719 4.14874 PRESSAVG: 1446000 22.2108 -13.5387 -30.7969 -13.5387 -52.9049 18.4129 -30.7969 18.4129 -30.5361 GPRESSAVG: 1446000 22.3079 -14.8523 -28.8082 -12.9085 -52.015 15.1457 -31.4946 18.2804 -31.2076 TIMING: 1446000 CPU: 4299.47, 0.0029945/step Wall: 4299.47, 0.0029945/step, 2.95624 hours remaining, 206.769531 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: 1446000 754.2647 2086.6714 1976.0968 118.8948 -206152.1271 17860.4903 0.0000 0.0000 34207.6867 -149148.0224 298.7442 -183355.7091 -149054.2105 299.1202 -71.6433 -34.7658 558280.1182 -20.4101 -20.3049 PRESSURE: 1446200 -5.14886 16.5559 39.0924 16.5555 4.68772 124.612 39.092 124.612 -331.185 GPRESSURE: 1446200 35.8672 71.4678 93.4853 -10.7488 6.85162 86.1452 -16.0545 62.6425 -275.401 PRESSAVG: 1446200 28.9109 15.4178 0.175919 15.4177 5.84204 -4.26376 0.175946 -4.26381 11.3769 GPRESSAVG: 1446200 28.872 17.5725 0.254723 12.1266 5.34063 -3.25393 -1.65859 -6.76729 11.212 TIMING: 1446200 CPU: 4300.07, 0.00300936/step Wall: 4300.07, 0.00300936/step, 2.97074 hours remaining, 206.769531 MB of memory in use. ENERGY: 1446200 773.2707 2089.2606 1957.1079 119.4505 -205903.9317 17633.5905 0.0000 0.0000 34258.3173 -149072.9342 299.1864 -183331.2515 -148971.8613 300.1535 -110.5486 -77.5608 557403.7510 15.3766 15.1416 PRESSURE: 1446400 -215.719 -108.193 -184.524 -108.192 160.811 -20.2201 -184.524 -20.2204 -61.6348 GPRESSURE: 1446400 -141.92 -64.8214 -269.257 -159.588 169.425 -57.8085 -149.077 -68.2111 -35.1895 PRESSAVG: 1446400 24.8701 -38.8825 -50.6127 -38.8825 22.6372 -21.3324 -50.6126 -21.3325 -63.1445 GPRESSAVG: 1446400 22.9145 -39.677 -50.4387 -37.9342 22.6864 -21.1627 -49.5132 -19.5782 -61.4226 TIMING: 1446400 CPU: 4300.67, 0.00298761/step Wall: 4300.67, 0.00298761/step, 2.9491 hours remaining, 206.769531 MB of memory in use. ENERGY: 1446400 756.1419 2060.6853 1964.7178 104.2353 -206037.8037 17793.5631 0.0000 0.0000 34144.0614 -149214.3989 298.1886 -183358.4603 -149116.9380 299.5053 -38.8477 -2.5615 556656.0528 -5.2124 -5.2739 PRESSURE: 1446600 -396.107 -85.1107 -0.57245 -85.1097 9.96642 -203.926 -0.572649 -203.923 -53.8174 GPRESSURE: 1446600 -330.884 -48.093 93.0016 -77.4218 31.3412 -205.829 -1.6154 -124.065 -37.0016 PRESSAVG: 1446600 27.7031 21.5034 -72.4802 21.5034 0.129691 -21.2295 -72.4802 -21.2295 -20.0495 GPRESSAVG: 1446600 28.7731 20.883 -73.6639 22.0491 -0.0371552 -19.3723 -70.258 -22.0421 -21.3108 TIMING: 1446600 CPU: 4301.27, 0.00297963/step Wall: 4301.27, 0.00297963/step, 2.94106 hours remaining, 206.769531 MB of memory in use. ENERGY: 1446600 776.3251 2069.9673 1950.5412 110.8984 -206025.7473 17653.7665 0.0000 0.0000 34281.9273 -149182.3215 299.3926 -183464.2488 -149079.2622 299.6433 -146.6526 -112.1815 558895.2080 2.5944 2.4750 PRESSURE: 1446800 -5.92479 -275.306 26.1507 -275.306 -281.36 -76.5562 26.1504 -76.5565 -144.893 GPRESSURE: 1446800 -15.6288 -235.956 -4.85761 -279.493 -177.319 -85.0993 -50.4322 -21.9983 -143.955 PRESSAVG: 1446800 12.8313 9.91209 -10.0239 9.91213 60.0993 -75.9891 -10.0239 -75.989 -45.8131 GPRESSAVG: 1446800 12.0283 10.9223 -9.28145 9.5161 60.8724 -79.1584 -11.6109 -75.5897 -45.6827 TIMING: 1446800 CPU: 4301.86, 0.00296844/step Wall: 4301.86, 0.00296844/step, 2.92985 hours remaining, 206.769531 MB of memory in use. ENERGY: 1446800 787.4801 2091.2605 1939.7872 104.5699 -205947.2214 17659.8346 0.0000 0.0000 34254.2158 -149110.0733 299.1506 -183364.2891 -149015.1717 300.0654 -144.0594 -112.3008 556826.8256 9.0392 9.0726 PRESSURE: 1447000 -50.5408 17.7831 129.947 17.7813 -191.495 142.956 129.947 142.956 -191.591 GPRESSURE: 1447000 -66.3555 -7.19741 78.6758 80.6469 -158.355 187.81 133.423 99.1464 -116.936 PRESSAVG: 1447000 30.1279 -18.3254 -14.6477 -18.3253 3.24189 -57.3821 -14.6478 -57.3822 -32.3133 GPRESSAVG: 1447000 30.3912 -19.9357 -14.9522 -16.0569 2.29705 -53.8352 -13.5368 -57.6021 -31.3862 TIMING: 1447000 CPU: 4302.45, 0.00294827/step Wall: 4302.45, 0.00294827/step, 2.90978 hours remaining, 206.769531 MB of memory in use. ENERGY: 1447000 750.4328 2055.2151 1947.1052 122.1381 -205870.2378 17673.4990 0.0000 0.0000 34253.0848 -149068.7628 299.1407 -183321.8476 -148968.7781 300.0378 -144.5422 -113.8822 558702.8176 0.3521 0.4340 PRESSURE: 1447200 -17.0672 167.998 -91.6608 167.998 131.909 -33.322 -91.6621 -33.32 -265.589 GPRESSURE: 1447200 44.0464 143.267 -57.2279 108.285 136.26 22.5858 -76.6602 -58.8582 -242.716 PRESSAVG: 1447200 -3.45137 22.0104 1.79819 22.0105 49.3119 -40.5352 1.79818 -40.5352 -54.0688 GPRESSAVG: 1447200 -3.6102 19.9849 0.887961 22.4297 50.0053 -43.7294 2.23281 -38.9912 -54.6309 TIMING: 1447200 CPU: 4303.05, 0.00299037/step Wall: 4303.05, 0.00299037/step, 2.95116 hours remaining, 206.769531 MB of memory in use. ENERGY: 1447200 723.8541 2101.8540 1947.4404 107.2780 -205904.3990 17562.0784 0.0000 0.0000 34119.0272 -149342.8670 297.9700 -183461.8942 -149252.2823 298.9269 -50.2491 -20.8034 556507.7438 -2.7361 -2.7453 PRESSURE: 1447400 29.7174 10.5507 -19.2714 10.5507 110.737 -8.48368 -19.2715 -8.48369 -119.02 GPRESSURE: 1447400 -0.13725 -5.55417 -47.3266 63.0337 186.303 -23.7374 -6.72602 -5.65544 -67.8847 PRESSAVG: 1447400 -53.1471 43.9728 34.5518 43.9729 31.6137 -48.2787 34.5518 -48.2786 -12.5175 GPRESSAVG: 1447400 -52.896 44.0605 36.393 43.4125 31.6461 -48.5819 34.6478 -49.376 -12.4441 TIMING: 1447400 CPU: 4303.64, 0.00295961/step Wall: 4303.64, 0.00295961/step, 2.92064 hours remaining, 206.769531 MB of memory in use. ENERGY: 1447400 772.4391 2068.7258 1956.1803 117.1595 -206396.4901 17913.4959 0.0000 0.0000 34282.5730 -149285.9164 299.3982 -183568.4894 -149194.7219 298.9040 7.1450 39.4269 556389.5220 -11.3503 -11.2314 PRESSURE: 1447600 -190.811 -2.88501 46.604 -2.88393 -78.6326 -76.6501 46.6035 -76.6495 70.4035 GPRESSURE: 1447600 -159.457 12.4588 39.987 -66.9078 -77.21 -172.406 54.7295 -60.7125 139.555 PRESSAVG: 1447600 -41.9093 54.4119 -12.6283 54.412 3.66286 -65.2935 -12.6282 -65.2936 35.3854 GPRESSAVG: 1447600 -41.3123 57.42 -11.4471 52.803 3.53929 -63.8935 -13.8591 -65.0209 34.2286 TIMING: 1447600 CPU: 4304.23, 0.00296794/step Wall: 4304.23, 0.00296794/step, 2.92869 hours remaining, 206.769531 MB of memory in use. ENERGY: 1447600 674.0733 2078.4801 1971.3585 108.2447 -206099.3414 17723.9921 0.0000 0.0000 34420.6264 -149122.5663 300.6039 -183543.1927 -149025.7331 298.6133 -66.3467 -32.3707 558271.3128 -0.9537 -1.1815 PRESSURE: 1447800 61.366 2.99456 144.44 2.994 227.865 -44.4413 144.44 -44.4429 -197.618 GPRESSURE: 1447800 45.1447 -0.0424221 89.7507 56.4699 322.39 17.374 129.663 -79.5261 -191.715 PRESSAVG: 1447800 2.37522 65.0826 9.84277 65.0827 -4.23236 -20.2479 9.84284 -20.2479 -5.10439 GPRESSAVG: 1447800 2.45967 64.0038 8.43823 64.8426 -5.29928 -21.1986 11.6607 -19.1611 -3.843 TIMING: 1447800 CPU: 4304.84, 0.00301923/step Wall: 4304.84, 0.00301923/step, 2.97914 hours remaining, 206.769531 MB of memory in use. ENERGY: 1447800 692.2865 2108.1180 1944.0017 94.4366 -205818.9939 17686.8886 0.0000 0.0000 34235.4017 -149057.8607 298.9863 -183293.2624 -148954.7684 299.1981 30.5377 58.6066 559002.0195 -2.3205 -2.2275 PRESSURE: 1448000 51.8362 92.5408 4.77097 92.5407 271.514 -15.6005 4.76967 -15.5999 165.875 GPRESSURE: 1448000 145.173 43.549 -34.5805 47.0986 246.779 -90.6763 -0.607256 12.6838 183.26 PRESSAVG: 1448000 3.08831 -31.3076 1.44021 -31.3076 113.392 -2.0508 1.44021 -2.05077 -80.1371 GPRESSAVG: 1448000 3.78006 -30.8017 0.882501 -30.342 112.999 -0.805557 0.817337 -1.27048 -80.3499 TIMING: 1448000 CPU: 4305.44, 0.00299012/step Wall: 4305.44, 0.00299012/step, 2.95025 hours remaining, 206.769531 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: 1448000 704.3507 2067.6415 1942.7053 119.5061 -205857.5024 17845.9611 0.0000 0.0000 34151.1027 -149026.2350 298.2501 -183177.3377 -148927.8637 299.4410 163.0750 191.7372 557645.4134 12.1143 12.1429 PRESSURE: 1448200 -105.514 -72.3138 82.9431 -72.3149 -63.8109 200.792 82.9438 200.791 -324.424 GPRESSURE: 1448200 -82.2587 -67.5049 65.6943 -92.7169 -48.5385 198.66 117.512 168.432 -261.571 PRESSAVG: 1448200 -5.46854 -15.6271 -12.0974 -15.6271 -15.6656 26.4275 -12.0974 26.4275 -8.82943 GPRESSAVG: 1448200 -7.062 -15.7983 -11.7258 -15.9293 -15.2108 26.0782 -13.2383 25.2821 -7.90711 TIMING: 1448200 CPU: 4306.03, 0.00296216/step Wall: 4306.03, 0.00296216/step, 2.9225 hours remaining, 206.769531 MB of memory in use. ENERGY: 1448200 757.1911 2049.6997 1950.5971 105.5023 -206041.7204 17642.4600 0.0000 0.0000 34433.4336 -149102.8366 300.7157 -183536.2702 -149001.2902 299.4696 -164.5831 -130.7895 556685.3774 -9.9879 -10.0600 LDB: ============= START OF LOAD BALANCING ============== 4309.45 LDB: ============== END OF LOAD BALANCING =============== 4309.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4309.46 LDB: ============= START OF LOAD BALANCING ============== 4309.75 LDB: Largest compute 4847 load 0.027123 is 23.0% of average load 0.118010 LDB: Average compute 0.001727 is 1.5% of average load 0.118010 LDB: TIME 4309.75 LOAD: AVG 0.11801 MAX 0.198653 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.828 MB LDB: TIME 4309.76 LOAD: AVG 0.11801 MAX 0.198653 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.828 MB LDB: TIME 4309.76 LOAD: AVG 0.11801 MAX 0.198653 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.828 MB LDB: ============== END OF LOAD BALANCING =============== 4309.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4309.76 PRESSURE: 1448400 214.95 67.0943 -1.6986 67.0934 -47.2548 121.764 -1.69965 121.766 -42.7921 GPRESSURE: 1448400 308.371 81.1704 30.7219 31.5443 -23.3358 -0.690035 -27.4477 178.482 -54.3786 PRESSAVG: 1448400 -7.33662 -21.462 -30.3765 -21.4619 -4.70242 18.6909 -30.3766 18.6909 -2.36232 GPRESSAVG: 1448400 -6.60848 -23.5991 -30.0624 -17.7358 -4.16638 17.1781 -29.537 19.6204 -3.31278 TIMING: 1448400 CPU: 4306.63, 0.0030137/step Wall: 4306.63, 0.0030137/step, 2.97319 hours remaining, 205.980469 MB of memory in use. ENERGY: 1448400 753.1454 2047.9067 1941.1393 113.6070 -206032.4674 17777.2310 0.0000 0.0000 34308.5418 -149090.8961 299.6250 -183399.4379 -148995.5667 299.5708 41.6344 76.8856 556672.3560 -4.8005 -4.6959 PRESSURE: 1448600 -35.6263 130.668 136.564 130.668 108.588 153.409 136.565 153.408 -123.807 GPRESSURE: 1448600 8.81564 93.1398 191.744 182.708 145.09 123.269 142.737 164.854 -107.058 PRESSAVG: 1448600 16.9378 10.763 48.1458 10.763 0.217219 39.6298 48.1457 39.6299 -3.86909 GPRESSAVG: 1448600 17.3952 11.9427 46.4797 5.84094 0.378413 42.6369 47.1771 36.0818 -4.95122 TIMING: 1448600 CPU: 4307.22, 0.00295758/step Wall: 4307.22, 0.00295758/step, 2.91766 hours remaining, 205.980469 MB of memory in use. ENERGY: 1448600 723.6936 2099.1843 1931.4592 106.3589 -206005.2009 17832.3008 0.0000 0.0000 34173.6046 -149138.5995 298.4466 -183312.2041 -149046.6244 299.6809 -16.9484 15.6161 556497.6649 4.4286 4.2741 PRESSURE: 1448800 79.8042 1.87865 -62.3676 1.87897 55.355 78.1798 -62.3685 78.1805 -289.617 GPRESSURE: 1448800 104.822 -19.1784 -49.0802 -3.93812 63.6823 93.6746 -19.7385 71.6522 -240.636 PRESSAVG: 1448800 26.4591 -27.9845 -15.4366 -27.9844 -13.7395 66.4892 -15.4367 66.4892 -33.7438 GPRESSAVG: 1448800 25.6915 -28.588 -15.0917 -23.8784 -13.632 64.2954 -13.736 68.0386 -33.1046 TIMING: 1448800 CPU: 4307.81, 0.0029604/step Wall: 4307.81, 0.0029604/step, 2.92027 hours remaining, 205.980469 MB of memory in use. ENERGY: 1448800 775.9145 2066.5402 1954.2341 110.7959 -206335.2629 17868.3756 0.0000 0.0000 34370.8179 -149188.5847 300.1689 -183559.4026 -149089.9793 298.9959 -51.4860 -24.0442 556095.8299 -7.0081 -7.0151 PRESSURE: 1449000 80.7229 -3.65407 151.167 -3.6549 -163.047 28.2939 151.166 28.2932 14.4563 GPRESSURE: 1449000 54.5616 -19.4013 191.996 37.8846 -111.407 -26.1005 153.321 57.224 94.0198 PRESSAVG: 1449000 43.8522 -18.5581 -2.67305 -18.5581 -33.4874 43.2833 -2.67308 43.2834 -1.51005 GPRESSAVG: 1449000 43.184 -17.9348 -3.24267 -18.8629 -33.7942 45.6615 -3.89793 43.0702 -0.971951 TIMING: 1449000 CPU: 4308.41, 0.0029779/step Wall: 4308.41, 0.0029779/step, 2.93736 hours remaining, 205.980469 MB of memory in use. ENERGY: 1449000 752.6845 2046.6400 1940.1229 126.6475 -206163.4462 17768.4176 0.0000 0.0000 34307.6709 -149221.2628 299.6174 -183528.9337 -149119.9732 299.6946 -22.6227 12.3914 558186.1344 2.9516 2.8059 PRESSURE: 1449200 181.585 -47.8009 -91.6854 -47.7998 -87.1812 -33.8903 -91.6859 -33.8901 -39.7109 GPRESSURE: 1449200 241.396 -36.8758 -86.7621 -71.8536 -66.784 36.6738 -62.3526 9.07875 -24.5798 PRESSAVG: 1449200 22.2549 16.2886 13.3741 16.2887 -50.6413 30.2306 13.3741 30.2306 -27.0692 GPRESSAVG: 1449200 22.9894 18.2724 14.3433 15.0117 -51.4265 28.6688 12.2558 32.0391 -26.968 TIMING: 1449200 CPU: 4309.01, 0.00298763/step Wall: 4309.01, 0.00298763/step, 2.9468 hours remaining, 205.980469 MB of memory in use. ENERGY: 1449200 727.1871 2021.5118 1940.8995 106.3656 -205976.1604 17704.9470 0.0000 0.0000 34219.4795 -149255.7700 298.8472 -183475.2495 -149156.4343 299.5832 18.2310 50.0106 556515.8519 -18.4852 -18.4684 PRESSURE: 1449400 -43.8948 -41.3924 70.2425 -41.3941 -72.3744 -51.4355 70.2416 -51.4362 119.182 GPRESSURE: 1449400 39.3283 -88.4882 35.3603 21.0608 -59.7956 -73.7663 77.3789 -85.2102 119.498 PRESSAVG: 1449400 1.98587 21.0181 -19.5978 21.0182 -32.873 26.3985 -19.5979 26.3986 33.8734 GPRESSAVG: 1449400 2.24508 20.1653 -19.3958 19.7504 -31.5234 26.5476 -17.3383 24.1345 32.261 TIMING: 1449400 CPU: 4309.61, 0.00299486/step Wall: 4309.61, 0.00299486/step, 2.95376 hours remaining, 205.980469 MB of memory in use. ENERGY: 1449400 757.0594 2058.0682 1941.3973 111.4426 -206103.0770 17718.1963 0.0000 0.0000 34185.7479 -149331.1653 298.5526 -183516.9132 -149238.9430 299.2238 0.9708 33.0102 556878.7117 0.9954 0.9942 PRESSURE: 1449600 -159.874 -63.613 -29.0129 -63.6102 -51.4873 -8.54343 -29.0119 -8.54342 -60.8581 GPRESSURE: 1449600 -138.547 130.848 50.3393 -110.497 -8.93744 -65.447 -63.7616 72.7314 -23.9387 PRESSAVG: 1449600 43.4062 11.901 -25.6454 11.901 -32.4255 -53.5322 -25.6454 -53.5321 19.719 GPRESSAVG: 1449600 42.5074 12.7371 -25.6208 13.5444 -33.7328 -53.8969 -26.7839 -53.4934 20.9671 TIMING: 1449600 CPU: 4310.2, 0.00297815/step Wall: 4310.2, 0.00297815/step, 2.93712 hours remaining, 205.980469 MB of memory in use. ENERGY: 1449600 751.7866 2044.7883 1956.3801 96.3493 -206118.7927 17597.2362 0.0000 0.0000 34155.3365 -149516.9157 298.2870 -183672.2522 -149416.4705 298.6420 -90.7399 -57.1411 555949.4254 10.2332 9.9139 PRESSURE: 1449800 -141.298 -27.2168 108.187 -27.2169 57.2819 99.9102 108.188 99.9099 229.13 GPRESSURE: 1449800 -144.281 -2.12891 181.504 -53.6837 73.5255 87.4737 87.626 132.818 303.349 PRESSAVG: 1449800 -64.2032 12.158 38.1349 12.158 -26.6553 -14.0384 38.1349 -14.0383 80.247 GPRESSAVG: 1449800 -63.6362 11.1807 39.0194 10.9452 -26.993 -15.994 37.286 -13.3008 79.6802 TIMING: 1449800 CPU: 4310.8, 0.00299338/step Wall: 4310.8, 0.00299338/step, 2.95197 hours remaining, 205.980469 MB of memory in use. ENERGY: 1449800 788.1658 2041.2944 1954.4564 105.4450 -206475.3765 18039.5486 0.0000 0.0000 34027.0831 -149519.3832 297.1670 -183546.4664 -149426.5409 297.8840 48.3713 77.5313 557979.8773 -3.5372 -3.6497 PRESSURE: 1450000 127.015 -53.6013 -24.2965 -53.6012 -168.674 -133.923 -24.2966 -133.923 71.1985 GPRESSURE: 1450000 164.356 -113.61 -39.1899 51.3733 -97.3174 -46.8497 -56.4752 -109.153 52.7276 PRESSAVG: 1450000 -6.65434 41.1314 9.01166 41.1313 24.5368 -61.1745 9.01176 -61.1745 10.2409 GPRESSAVG: 1450000 -6.09339 38.6422 8.3172 43.2997 25.3538 -61.8052 7.8782 -60.7743 9.33556 TIMING: 1450000 CPU: 4311.4, 0.00299965/step Wall: 4311.4, 0.00299965/step, 2.95799 hours remaining, 205.980469 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: 1450000 740.5469 2088.5840 1949.0624 108.2636 -206140.4039 17862.6202 0.0000 0.0000 33989.5460 -149401.7808 296.8392 -183391.3268 -149305.3122 297.9951 9.8468 39.9222 557609.5320 9.3745 9.5320 PRESSURE: 1450200 -163.529 -105.969 48.8856 -105.968 -372.471 -5.205 48.8859 -5.20714 -373.465 GPRESSURE: 1450200 -159.705 -167.944 130.899 -5.29806 -339.101 -62.6585 10.481 -11.806 -325.455 PRESSAVG: 1450200 62.1378 3.34584 5.90243 3.34585 -53.4452 -74.4378 5.90232 -74.4378 14.1615 GPRESSAVG: 1450200 61.2534 6.8267 5.33802 2.93689 -53.2357 -72.6459 6.93198 -75.193 15.4495 TIMING: 1450200 CPU: 4312, 0.0029746/step Wall: 4312, 0.0029746/step, 2.93312 hours remaining, 205.980469 MB of memory in use. ENERGY: 1450200 739.3722 2120.9745 1950.4880 125.3401 -205859.8925 17441.3064 0.0000 0.0000 34201.6097 -149280.8016 298.6912 -183482.4113 -149187.4332 298.2241 -303.1550 -274.7539 559311.4569 7.6180 7.8224 PRESSURE: 1450400 112.432 36.6762 -12.8541 36.6754 -152.286 156.318 -12.8541 156.318 157.733 GPRESSURE: 1450400 171.065 96.4793 -6.63095 -18.7958 -98.943 138.442 -60.0898 72.8168 158.001 PRESSAVG: 1450400 -15.1887 -44.8865 23.5384 -44.8865 -43.0679 -38.7761 23.5383 -38.7761 -28.4505 GPRESSAVG: 1450400 -15.9658 -45.4176 23.879 -46.789 -43.1222 -37.3632 23.579 -40.5986 -27.8776 TIMING: 1450400 CPU: 4312.59, 0.00297598/step Wall: 4312.59, 0.00297598/step, 2.93431 hours remaining, 205.980469 MB of memory in use. ENERGY: 1450400 741.7324 2095.1285 1942.9427 105.7149 -206331.7404 17875.9784 0.0000 0.0000 34115.4813 -149454.7622 297.9390 -183570.2435 -149362.0018 298.5381 39.2933 76.7074 558061.4663 -28.9024 -28.9885 PRESSURE: 1450600 47.5697 -169.4 -19.6029 -169.4 75.3315 -109.905 -19.6031 -109.907 77.0775 GPRESSURE: 1450600 77.2947 -180.039 -40.6714 -188.317 42.9669 -124.917 -11.9523 -16.5419 161.538 PRESSAVG: 1450600 -24.7585 4.83513 14.662 4.83516 55.0549 -27.5545 14.662 -27.5545 -32.2008 GPRESSAVG: 1450600 -24.3519 3.75288 14.8549 6.27921 55.0632 -28.3536 13.7211 -24.8326 -32.5574 TIMING: 1450600 CPU: 4313.19, 0.00300061/step Wall: 4313.19, 0.00300061/step, 2.95843 hours remaining, 205.980469 MB of memory in use. ENERGY: 1450600 719.8088 2128.2930 1943.9010 107.3060 -206269.5599 17958.0234 0.0000 0.0000 34110.4632 -149301.7645 297.8952 -183412.2277 -149204.4559 298.5967 66.6596 93.9332 558027.5302 -0.6348 -0.6154 PRESSURE: 1450800 298.183 -121.68 -44.5229 -121.681 289.774 34.4773 -44.5217 34.477 136.347 GPRESSURE: 1450800 285.699 -42.1049 -23.468 -187.205 349.457 -7.38131 -24.2292 41.9196 179.946 PRESSAVG: 1450800 -13.3356 -18.5342 37.256 -18.5343 50.0533 -40.3254 37.256 -40.3255 -30.8295 GPRESSAVG: 1450800 -13.3106 -18.6333 36.8576 -18.2701 48.6655 -38.7218 40.4314 -40.4633 -30.4456 TIMING: 1450800 CPU: 4313.79, 0.00300077/step Wall: 4313.79, 0.00300077/step, 2.95843 hours remaining, 205.980469 MB of memory in use. ENERGY: 1450800 734.4856 2161.3079 1962.0290 120.0213 -206746.1849 18226.1110 0.0000 0.0000 34207.1333 -149335.0966 298.7394 -183542.2299 -149237.4037 298.7109 241.4349 271.7010 557280.4344 1.9627 1.6364 PRESSURE: 1451000 -247.78 66.1598 -54.0934 66.1598 6.61107 -89.884 -54.0945 -89.882 -19.7293 GPRESSURE: 1451000 -211.582 54.9219 37.234 -9.62715 6.08103 -78.1467 -31.9031 -52.9213 30.6502 PRESSAVG: 1451000 25.7367 -25.8683 -19.4188 -25.8684 35.9898 21.5267 -19.4188 21.5268 -30.0678 GPRESSAVG: 1451000 23.3639 -26.6297 -21.2184 -24.5871 36.9052 19.7313 -19.6384 20.1422 -29.1052 TIMING: 1451000 CPU: 4314.39, 0.00300115/step Wall: 4314.39, 0.00300115/step, 2.95863 hours remaining, 205.980469 MB of memory in use. ENERGY: 1451000 759.1290 2126.1942 1953.9099 111.3653 -206212.7002 17840.9426 0.0000 0.0000 34081.8022 -149339.3571 297.6449 -183421.1593 -149238.0307 298.1385 -86.9662 -58.2836 559395.4434 10.5529 10.3880 PRESSURE: 1451200 -141.02 -167.662 100.404 -167.664 -96.6423 126.835 100.404 126.836 40.3684 GPRESSURE: 1451200 -101.466 -224.475 45.936 -180.233 -53.7375 94.449 189.206 124.798 42.9738 PRESSAVG: 1451200 16.1771 24.1532 -7.56822 24.1532 23.1968 6.94995 -7.5682 6.95004 -23.4976 GPRESSAVG: 1451200 17.8293 26.8619 -6.15662 22.1708 22.4455 6.66033 -10.1844 5.89583 -24.148 TIMING: 1451200 CPU: 4314.99, 0.003006/step Wall: 4314.99, 0.003006/step, 2.96325 hours remaining, 205.980469 MB of memory in use. ENERGY: 1451200 751.4400 2138.3867 1957.6106 102.3108 -206320.1613 17759.8301 0.0000 0.0000 34253.6827 -149356.9005 299.1459 -183610.5832 -149257.1745 298.8166 -65.7647 -37.4098 557370.0960 5.2921 5.3756 PRESSURE: 1451400 -54.1871 -32.7232 25.1587 -32.7232 -135.076 84.1374 25.1566 84.1375 177.316 GPRESSURE: 1451400 -30.826 50.584 -6.04184 -205.125 -115.448 102.416 29.6934 93.9741 237.771 PRESSAVG: 1451400 8.13759 -29.8357 -28.1677 -29.8357 -24.5627 -12.2399 -28.1676 -12.2398 17.6089 GPRESSAVG: 1451400 7.71065 -31.688 -26.5326 -31.0809 -24.1209 -11.7388 -27.7638 -12.7006 18.1618 TIMING: 1451400 CPU: 4315.59, 0.00297715/step Wall: 4315.59, 0.00297715/step, 2.93465 hours remaining, 205.980469 MB of memory in use. ENERGY: 1451400 754.1275 2098.0495 1948.7082 112.2395 -206127.0354 17766.9271 0.0000 0.0000 34124.2431 -149322.7405 298.0155 -183446.9837 -149220.1759 298.2863 -3.9821 30.4991 557025.8973 0.3946 0.5839 PRESSURE: 1451600 -29.5888 215.544 -22.9509 215.544 -65.9352 83.1904 -22.9511 83.1881 69.6187 GPRESSURE: 1451600 -25.5196 184.255 -111.603 172.684 -64.4939 46.8926 35.9173 162.219 165.795 PRESSAVG: 1451600 29.5724 17.9128 -22.3286 17.9128 -35.2035 13.7728 -22.3286 13.7727 12.6019 GPRESSAVG: 1451600 30.2063 18.9096 -24.4398 19.7731 -35.2438 11.914 -20.4065 15.6047 11.6717 TIMING: 1451600 CPU: 4316.18, 0.00295141/step Wall: 4316.18, 0.00295141/step, 2.9091 hours remaining, 205.980469 MB of memory in use. ENERGY: 1451600 724.2208 2129.4138 1944.9465 100.3210 -206234.4750 17763.8336 0.0000 0.0000 34252.0836 -149319.6556 299.1320 -183571.7392 -149222.2372 298.1576 -8.6351 25.2604 557545.5806 2.3236 2.2114 PRESSURE: 1451800 -212.8 196.135 -84.8196 196.136 113.618 27.1982 -84.8193 27.198 -177.524 GPRESSURE: 1451800 -187.662 256.347 -169.35 185.097 126.645 -4.68635 -39.5434 53.0352 -137.383 PRESSAVG: 1451800 8.3516 -32.5181 -34.5707 -32.5182 29.1519 -28.8119 -34.5707 -28.812 -11.8466 GPRESSAVG: 1451800 8.10761 -33.1669 -33.5963 -33.5771 29.2172 -26.9091 -35.9061 -29.9054 -11.3865 TIMING: 1451800 CPU: 4316.77, 0.00294757/step Wall: 4316.77, 0.00294757/step, 2.90515 hours remaining, 205.980469 MB of memory in use. ENERGY: 1451800 749.4630 2090.1012 1943.0414 116.7889 -206026.1322 17690.1091 0.0000 0.0000 34068.2806 -149368.3480 297.5268 -183436.6287 -149269.6070 298.9414 -92.2354 -66.1335 558445.4350 8.5523 8.6461 PRESSURE: 1452000 -85.3771 -16.8108 -182.824 -16.8116 -294.525 -23.497 -182.827 -23.4948 -108.244 GPRESSURE: 1452000 -50.3479 45.3974 -219.753 -116.339 -307.838 28.9323 -127.19 -41.1576 -40.265 PRESSAVG: 1452000 -84.5527 -41.0692 -82.8684 -41.0692 5.07064 -2.36444 -82.8684 -2.36447 70.4398 GPRESSAVG: 1452000 -84.2928 -39.2471 -82.6435 -38.9959 4.61129 -3.56972 -81.861 -2.5084 70.1714 TIMING: 1452000 CPU: 4317.36, 0.00297651/step Wall: 4317.36, 0.00297651/step, 2.93351 hours remaining, 205.980469 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: 1452000 772.8495 2079.2816 1935.5980 114.5600 -206148.6503 17668.2464 0.0000 0.0000 34323.9543 -149254.1606 299.7596 -183578.1149 -149159.4829 299.2939 -162.7153 -132.8168 557370.0401 -3.0141 -3.1700 PRESSURE: 1452200 -97.9573 37.7778 87.6779 37.779 48.4214 14.4939 87.6778 14.493 -117.078 GPRESSURE: 1452200 -25.7247 56.2205 6.82094 101.436 89.5602 80.2811 100.068 -47.6123 -115.936 PRESSAVG: 1452200 3.92958 -31.1051 -38.4726 -31.1052 28.2524 29.8336 -38.4726 29.8337 -7.82209 GPRESSAVG: 1452200 3.47209 -32.0541 -37.4856 -33.1497 27.7898 30.1068 -39.7894 30.0014 -6.63277 TIMING: 1452200 CPU: 4317.96, 0.0029817/step Wall: 4317.96, 0.0029817/step, 2.93846 hours remaining, 205.980469 MB of memory in use. ENERGY: 1452200 740.0109 2098.7571 1943.5967 95.6308 -206212.0830 17803.0616 0.0000 0.0000 34340.4114 -149190.6147 299.9034 -183531.0260 -149092.0916 298.9409 -55.5381 -17.3668 557340.3630 8.1200 8.2097 LDB: ============= START OF LOAD BALANCING ============== 4321.39 LDB: ============== END OF LOAD BALANCING =============== 4321.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4321.39 LDB: ============= START OF LOAD BALANCING ============== 4321.69 LDB: Largest compute 4847 load 0.027991 is 23.7% of average load 0.117996 LDB: Average compute 0.001725 is 1.5% of average load 0.117996 LDB: TIME 4321.7 LOAD: AVG 0.117996 MAX 0.205652 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.059 MB LDB: TIME 4321.7 LOAD: AVG 0.117996 MAX 0.205652 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.059 MB LDB: TIME 4321.7 LOAD: AVG 0.117996 MAX 0.205652 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.059 MB LDB: ============== END OF LOAD BALANCING =============== 4321.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4321.7 PRESSURE: 1452400 -116.438 56.0214 8.23038 56.0218 39.6954 14.2372 8.23037 14.2356 12.9337 GPRESSURE: 1452400 -72.8636 60.5373 -25.2499 -19.2094 135.108 50.5664 -1.35305 79.0402 -17.3933 PRESSAVG: 1452400 -32.2086 -8.83494 63.9709 -8.83501 12.2674 24.6199 63.9708 24.6199 -10.7204 GPRESSAVG: 1452400 -31.4812 -11.7093 64.016 -5.89954 12.978 26.1326 64.4259 24.1108 -11.8099 TIMING: 1452400 CPU: 4318.57, 0.00306218/step Wall: 4318.57, 0.00306218/step, 3.01761 hours remaining, 206.710938 MB of memory in use. ENERGY: 1452400 749.5220 2091.0111 1955.9167 115.0401 -206186.0798 18042.5807 0.0000 0.0000 34098.4510 -149133.5582 297.7903 -183232.0092 -149035.6511 299.1474 -21.2698 14.9505 559557.2602 -10.2205 -10.1044 PRESSURE: 1452600 -246.341 82.3752 169.691 82.3738 -233.182 -24.9761 169.692 -24.9744 -404.71 GPRESSURE: 1452600 -257.207 2.80245 185.143 45.6873 -216.486 1.54858 132.801 -49.7314 -309.668 PRESSAVG: 1452600 24.9814 -23.0674 -19.3788 -23.0674 41.7082 -43.5303 -19.3789 -43.5302 -26.0522 GPRESSAVG: 1452600 24.0556 -21.5854 -20.3056 -25.8844 41.5199 -44.4363 -19.3063 -43.9301 -24.6603 TIMING: 1452600 CPU: 4319.17, 0.00296447/step Wall: 4319.17, 0.00296447/step, 2.92115 hours remaining, 206.710938 MB of memory in use. ENERGY: 1452600 760.5297 2130.6450 1954.2796 104.1800 -206025.8486 17558.0726 0.0000 0.0000 34384.7506 -149133.3911 300.2906 -183518.1417 -149035.3105 299.2572 -294.7443 -261.1205 560594.9606 13.5458 13.6384 PRESSURE: 1452800 67.637 49.246 -29.5971 49.2459 374.927 99.5479 -29.5973 99.5495 54.6777 GPRESSURE: 1452800 189.521 117.822 25.0296 -18.1797 338.355 184.746 -73.3986 47.0354 68.7169 PRESSAVG: 1452800 -19.8093 24.5925 24.3553 24.5925 63.4966 27.1581 24.3553 27.158 -49.6968 GPRESSAVG: 1452800 -17.8271 23.5539 25.1455 25.5078 63.7227 28.587 22.8337 27.9266 -51.6906 TIMING: 1452800 CPU: 4319.76, 0.00296905/step Wall: 4319.76, 0.00296905/step, 2.9255 hours remaining, 206.710938 MB of memory in use. ENERGY: 1452800 747.6973 2118.4897 1953.9431 109.7560 -206358.4294 18067.1038 0.0000 0.0000 34135.2442 -149226.1955 298.1116 -183361.4397 -149139.0955 299.5827 165.7473 198.8641 556831.4966 -2.0032 -1.9317 PRESSURE: 1453000 -199.904 1.6506 67.6434 1.6515 -93.5302 201.8 67.6444 201.801 -52.4555 GPRESSURE: 1453000 -190.333 -15.3573 74.8036 -28.1529 -68.0098 192.233 63.9656 274.362 12.6189 PRESSAVG: 1453000 -28.7516 20.1072 14.5608 20.1072 -22.8749 39.3632 14.5608 39.3632 56.4547 GPRESSAVG: 1453000 -29.8879 20.4819 15.4455 20.3894 -22.9801 36.9152 14.6335 39.8355 57.7251 TIMING: 1453000 CPU: 4320.35, 0.00296315/step Wall: 4320.35, 0.00296315/step, 2.91952 hours remaining, 206.710938 MB of memory in use. ENERGY: 1453000 752.5997 2174.5522 1971.3703 124.7243 -205891.8682 17423.9490 0.0000 0.0000 34176.4637 -149268.2089 298.4716 -183444.6726 -149170.2085 299.1445 -115.2967 -81.9080 556853.6954 1.6094 1.6190 PRESSURE: 1453200 147.386 -98.3043 -122.266 -98.3036 -230.57 -44.5654 -122.267 -44.5657 -197.852 GPRESSURE: 1453200 159.898 -7.46787 -11.839 -61.5436 -162.787 -156.934 -102.498 6.49802 -180.352 PRESSAVG: 1453200 -12.4689 41.695 21.5079 41.695 -21.4643 -26.3014 21.508 -26.3014 46.7247 GPRESSAVG: 1453200 -12.863 42.8355 21.3066 42.2139 -21.0457 -24.4598 23.2273 -27.0609 46.763 TIMING: 1453200 CPU: 4320.95, 0.00298818/step Wall: 4320.95, 0.00298818/step, 2.94403 hours remaining, 206.710938 MB of memory in use. ENERGY: 1453200 753.3927 2159.7213 1947.7049 114.5833 -206045.8739 17667.6378 0.0000 0.0000 34112.0011 -149290.8328 297.9086 -183402.8339 -149194.5847 299.2037 -93.6784 -61.0803 557942.9472 4.2638 4.2848 PRESSURE: 1453400 91.4046 124.008 83.8098 124.008 114.218 -135.344 83.8102 -135.344 82.7624 GPRESSURE: 1453400 125.337 227.775 71.8985 9.90177 137.318 -185.22 10.0006 -57.4243 118.767 PRESSAVG: 1453400 53.059 3.26592 48.8536 3.26583 13.4916 -44.8595 48.8536 -44.8595 -57.9424 GPRESSAVG: 1453400 53.0364 1.94773 47.3062 2.49239 13.675 -45.0829 51.3571 -44.2552 -58.1755 TIMING: 1453400 CPU: 4321.55, 0.00302028/step Wall: 4321.55, 0.00302028/step, 2.97548 hours remaining, 206.710938 MB of memory in use. ENERGY: 1453400 794.9525 2110.6611 1949.0760 120.4720 -206653.1291 18047.2870 0.0000 0.0000 34350.9522 -149279.7284 299.9954 -183630.6806 -149191.8098 299.0824 96.1284 127.1403 558042.2949 2.8694 2.8453 PRESSURE: 1453600 77.9063 19.1802 -114.49 19.1816 -152.658 83.3789 -114.49 83.3787 -73.4469 GPRESSURE: 1453600 105.524 102.724 -126.953 -102.409 -93.3221 21.9308 -94.8166 156.157 -69.8119 PRESSAVG: 1453600 -1.76329 -20.6916 -10.4607 -20.6916 11.8666 -15.3333 -10.4608 -15.3334 -20.4765 GPRESSAVG: 1453600 -1.94766 -20.1527 -8.82936 -19.418 12.5462 -16.6612 -12.4666 -14.8718 -20.5656 TIMING: 1453600 CPU: 4322.15, 0.00299039/step Wall: 4322.15, 0.00299039/step, 2.94587 hours remaining, 206.710938 MB of memory in use. ENERGY: 1453600 788.2396 2112.7648 1937.1633 111.7027 -206233.1008 17797.6873 0.0000 0.0000 34123.8911 -149361.6519 298.0124 -183485.5431 -149272.3888 299.2343 -49.3995 -19.2034 556753.1166 -3.4577 -3.3224 PRESSURE: 1453800 -135.108 -68.0194 117.653 -68.0188 -149.048 131.51 117.654 131.511 -148.625 GPRESSURE: 1453800 -114.657 -53.7772 134.769 -0.288885 -98.0133 163.856 89.1074 79.9343 -115.194 PRESSAVG: 1453800 -56.2015 31.5519 -27.6397 31.5518 45.6149 58.9772 -27.6397 58.9773 -58.6375 GPRESSAVG: 1453800 -56.4833 33.2522 -28.0659 29.4489 44.2999 59.4481 -28.7588 55.5921 -56.8687 TIMING: 1453800 CPU: 4322.75, 0.00299362/step Wall: 4322.75, 0.00299362/step, 2.94888 hours remaining, 206.710938 MB of memory in use. ENERGY: 1453800 772.4304 2114.4159 1972.9490 101.8495 -206418.2454 17739.0805 0.0000 0.0000 34326.9742 -149390.5460 299.7860 -183717.5202 -149292.4926 299.2421 -144.2602 -109.2883 556108.3491 -23.0747 -23.0174 PRESSURE: 1454000 -163.641 50.4055 76.3591 50.4064 108.832 -131.443 76.3587 -131.443 153.85 GPRESSURE: 1454000 -129.645 4.515 82.6871 64.7422 174.73 -159.525 84.9215 -82.1905 143.616 PRESSAVG: 1454000 38.5067 10.2084 36.7066 10.2084 -20.1691 -21.1558 36.7067 -21.1558 11.5864 GPRESSAVG: 1454000 38.8016 6.2151 36.5689 11.6538 -20.3825 -21.8073 37.0686 -17.799 10.9876 TIMING: 1454000 CPU: 4323.35, 0.00299691/step Wall: 4323.35, 0.00299691/step, 2.95196 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: 1454000 737.0591 2128.5997 1953.3017 104.4134 -206681.8065 17892.1385 0.0000 0.0000 34310.5725 -149555.7216 299.6428 -183866.2941 -149458.3751 298.7544 33.0136 62.9003 557741.6580 9.9747 9.8023 PRESSURE: 1454200 -32.2767 -10.9525 -80.1765 -10.9519 -267.821 10.0218 -80.1772 10.0207 -97.4834 GPRESSURE: 1454200 -54.079 -14.2513 -60.0603 -17.1711 -207.387 67.1048 -47.7515 -10.6496 -32.9555 PRESSAVG: 1454200 -33.5171 -23.7431 26.1336 -23.7431 -27.0699 -59.9972 26.1336 -59.9971 36.0556 GPRESSAVG: 1454200 -33.4964 -22.2852 25.9751 -23.8082 -26.0697 -57.8554 26.9906 -60.3723 34.9461 TIMING: 1454200 CPU: 4323.95, 0.00299868/step Wall: 4323.95, 0.00299868/step, 2.95353 hours remaining, 206.710938 MB of memory in use. ENERGY: 1454200 726.0588 2102.2357 1939.1370 106.9204 -206444.0723 17814.5596 0.0000 0.0000 34090.7512 -149664.4096 297.7230 -183755.1608 -149564.4749 297.9147 -132.5271 -98.1404 557936.0857 -8.1771 -8.2067 PRESSURE: 1454400 -71.5724 4.20949 0.503799 4.20907 85.3224 2.18343 0.504308 2.1845 -81.5959 GPRESSURE: 1454400 -81.9952 -48.2879 -36.7531 20.8014 170.492 -103.348 54.452 30.6322 -60.6657 PRESSAVG: 1454400 54.1502 -35.5523 -6.63429 -35.5523 17.295 -40.9847 -6.63431 -40.9845 -79.0468 GPRESSAVG: 1454400 53.3807 -35.5244 -6.80326 -35.5933 17.9878 -42.805 -6.93387 -41.1521 -79.0392 TIMING: 1454400 CPU: 4324.55, 0.00300286/step Wall: 4324.55, 0.00300286/step, 2.95748 hours remaining, 206.710938 MB of memory in use. ENERGY: 1454400 752.4946 2109.0629 1948.5711 110.1132 -207036.9495 18126.6829 0.0000 0.0000 34202.0645 -149787.9604 298.6951 -183990.0249 -149703.2907 298.1967 -22.6153 9.2770 557810.7881 -2.5339 -2.5569 PRESSURE: 1454600 -130.552 109.412 229.788 109.413 -106.967 164.354 229.788 164.356 2.63024 GPRESSURE: 1454600 -120.223 131.645 230.006 122.817 -118.006 54.3565 203.725 164.453 103.425 PRESSAVG: 1454600 19.0014 36.5004 -3.41199 36.5003 -5.64204 -32.944 -3.412 -32.9441 15.9025 GPRESSAVG: 1454600 19.0352 37.745 -2.17257 36.2855 -7.24539 -32.5735 -4.901 -31.485 17.3047 TIMING: 1454600 CPU: 4325.15, 0.00301041/step Wall: 4325.15, 0.00301041/step, 2.96475 hours remaining, 206.710938 MB of memory in use. ENERGY: 1454600 787.5120 2107.9125 1957.3320 117.6070 -206615.6112 17955.9226 0.0000 0.0000 34162.3196 -149527.0056 298.3480 -183689.3252 -149427.3787 297.8515 -78.2960 -44.9347 556990.6515 9.7540 9.6982 PRESSURE: 1454800 -186.957 51.4923 34.3284 51.4921 -264.766 40.4936 34.3294 40.4943 -220.933 GPRESSURE: 1454800 -153.293 64.8437 69.648 119.869 -238.885 99.2692 11.0795 59.0024 -196.128 PRESSAVG: 1454800 -50.4868 -2.38559 3.8264 -2.38565 -12.7496 -42.3479 3.82644 -42.3479 32.1534 GPRESSAVG: 1454800 -48.9467 -3.03365 1.62366 -3.12034 -13.0106 -42.5108 7.70469 -44.0578 30.9607 TIMING: 1454800 CPU: 4325.75, 0.00297011/step Wall: 4325.75, 0.00297011/step, 2.9249 hours remaining, 206.710938 MB of memory in use. ENERGY: 1454800 763.5797 2116.5355 1929.2625 123.7985 -206239.1231 17811.3092 0.0000 0.0000 34249.8230 -149244.8148 299.1122 -183494.6378 -149154.0446 298.4901 -224.2188 -196.1022 559117.3865 -10.3610 -10.3322 PRESSURE: 1455000 -75.6592 -213.847 -93.6957 -213.846 -311.28 -81.9186 -93.6962 -81.9175 -433.008 GPRESSURE: 1455000 -72.2532 -220.811 -131.803 -190.41 -279.054 -151.017 -88.4168 -51.0935 -359.242 PRESSAVG: 1455000 -22.1648 26.1718 -25.0711 26.1718 12.1572 -1.00947 -25.0713 -1.00952 21.662 GPRESSAVG: 1455000 -22.9359 25.365 -24.0207 26.5403 12.9263 0.412389 -27.6672 -1.41811 21.534 TIMING: 1455000 CPU: 4326.34, 0.00297059/step Wall: 4326.34, 0.00297059/step, 2.92521 hours remaining, 206.710938 MB of memory in use. ENERGY: 1455000 747.1660 2089.0526 1939.4417 119.0353 -205948.9265 17516.1096 0.0000 0.0000 34259.5713 -149278.5501 299.1974 -183538.1214 -149171.0589 299.5883 -273.3158 -236.8496 557413.1287 3.8848 3.8414 PRESSURE: 1455200 -252.134 103.077 -134.427 103.078 -44.9878 -68.9733 -134.426 -68.9733 -6.9216 GPRESSURE: 1455200 -232.563 199.097 -115.107 128.037 -5.28205 -59.5166 -206.18 -120.82 30.4566 PRESSAVG: 1455200 32.1517 23.4957 -73.5742 23.4956 -17.2515 19.616 -73.5743 19.616 -13.8813 GPRESSAVG: 1455200 31.473 24.6097 -73.6747 21.5583 -17.3452 20.1786 -72.4409 19.7973 -12.9396 TIMING: 1455200 CPU: 4326.94, 0.00297577/step Wall: 4326.94, 0.00297577/step, 2.93014 hours remaining, 206.710938 MB of memory in use. ENERGY: 1455200 737.6668 2103.1182 1955.6367 113.9412 -205827.0398 17521.0434 0.0000 0.0000 34272.2101 -149123.4234 299.3077 -183395.6335 -149026.7318 299.5206 -101.3479 -69.1296 556552.4664 0.3396 0.3961 PRESSURE: 1455400 262.869 5.759 -35.9656 5.76008 50.7948 23.9334 -35.9653 23.933 63.3596 GPRESSURE: 1455400 302.006 13.2214 -8.24925 -35.3174 99.8747 39.5819 -101.409 49.0715 83.0888 PRESSAVG: 1455400 -18.1376 28.2756 -12.531 28.2756 67.0687 51.6259 -12.531 51.6258 -47.5876 GPRESSAVG: 1455400 -17.7627 25.346 -13.2695 31.0687 67.1203 51.8008 -13.2236 52.313 -48.036 TIMING: 1455400 CPU: 4327.53, 0.00296216/step Wall: 4327.53, 0.00296216/step, 2.91658 hours remaining, 206.710938 MB of memory in use. ENERGY: 1455400 749.8520 2081.2972 1940.9491 99.2863 -206719.1790 18328.1383 0.0000 0.0000 34390.2572 -149129.3988 300.3387 -183519.6560 -149039.1746 299.9838 125.6745 161.6567 557357.6293 0.4478 0.4405 PRESSURE: 1455600 -69.2576 216.209 -103.613 216.209 20.2445 -40.031 -103.613 -40.0299 -126.86 GPRESSURE: 1455600 -54.931 162.3 -51.5709 259.342 77.6792 -65.3296 -171.962 -1.347 -98.9994 PRESSAVG: 1455600 12.6483 -21.249 18.5055 -21.2489 17.5747 11.6188 18.5055 11.6188 -1.30415 GPRESSAVG: 1455600 12.368 -20.5406 20.6286 -21.9585 17.5589 9.51864 17.386 10.6467 -1.27249 TIMING: 1455600 CPU: 4328.12, 0.00297179/step Wall: 4328.12, 0.00297179/step, 2.9259 hours remaining, 206.710938 MB of memory in use. ENERGY: 1455600 720.4966 2090.1187 1961.9683 119.2876 -206043.2526 17758.1352 0.0000 0.0000 34174.9498 -149218.2963 298.4583 -183393.2461 -149126.9026 299.4085 -58.6243 -25.4171 558079.5256 9.6396 9.5515 PRESSURE: 1455800 -14.0571 -158.133 -19.5864 -158.133 80.9402 -21.6191 -19.5846 -21.6179 -88.094 GPRESSURE: 1455800 26.08 -134.287 -79.3439 -212.743 83.3341 -94.4603 -34.0973 -86.9215 -36.9002 PRESSAVG: 1455800 -44.7096 -16.4454 -44.1868 -16.4454 18.1623 1.59728 -44.1867 1.59733 56.5405 GPRESSAVG: 1455800 -44.4393 -14.8485 -46.0749 -17.6461 17.629 2.84883 -44.1662 0.992994 57.3305 TIMING: 1455800 CPU: 4328.72, 0.00299215/step Wall: 4328.72, 0.00299215/step, 2.94577 hours remaining, 206.710938 MB of memory in use. ENERGY: 1455800 766.1035 2107.8503 1953.1415 104.7361 -206148.1508 17746.7550 0.0000 0.0000 34243.4420 -149226.1222 299.0565 -183469.5643 -149129.8457 298.7968 -7.0703 24.1713 557512.2430 9.9977 10.1734 PRESSURE: 1456000 -58.8842 -57.3207 75.5539 -57.3213 269.498 17.8644 75.554 17.8652 140.345 GPRESSURE: 1456000 -66.3496 -33.9831 71.3519 -111.817 298.728 -32.8979 109.192 81.6615 195.105 PRESSAVG: 1456000 -55.5234 4.98972 -5.79143 4.98973 -2.18041 -4.72048 -5.79156 -4.72038 32.1332 GPRESSAVG: 1456000 -54.9346 1.75018 -6.43036 5.81022 -0.576038 -4.62762 -5.48522 -4.88809 30.3141 TIMING: 1456000 CPU: 4329.32, 0.00299441/step Wall: 4329.32, 0.00299441/step, 2.94783 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: 1456000 748.0335 2097.0849 1954.4218 113.1600 -206355.6951 18119.3328 0.0000 0.0000 34016.8611 -149306.8010 297.0777 -183323.6621 -149211.9842 299.1714 116.9860 142.4945 556477.6335 -8.5235 -8.3988 PRESSURE: 1456200 122.637 74.8598 -18.5884 74.8606 39.0694 -104.237 -18.588 -104.237 -116.887 GPRESSURE: 1456200 233.775 127.584 19.8919 92.4734 3.3639 -114.501 -58.4347 -31.4422 -89.6591 PRESSAVG: 1456200 33.5348 -35.8321 -7.38618 -35.8322 -26.465 23.2834 -7.3862 23.2834 2.96293 GPRESSAVG: 1456200 34.8445 -34.3966 -7.44903 -35.3476 -27.2997 23.052 -4.79204 25.1651 2.72735 TIMING: 1456200 CPU: 4329.92, 0.0029884/step Wall: 4329.92, 0.0029884/step, 2.94175 hours remaining, 206.710938 MB of memory in use. ENERGY: 1456200 745.7285 2051.6431 1954.1735 120.5800 -206423.1435 17877.8744 0.0000 0.0000 34294.2668 -149378.8773 299.5004 -183673.1441 -149272.9325 299.3883 14.9397 49.1598 555854.3036 3.3442 3.4241 LDB: ============= START OF LOAD BALANCING ============== 4333.34 LDB: ============== END OF LOAD BALANCING =============== 4333.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4333.35 LDB: ============= START OF LOAD BALANCING ============== 4333.64 LDB: Largest compute 4847 load 0.027385 is 23.2% of average load 0.118033 LDB: Average compute 0.001725 is 1.5% of average load 0.118033 LDB: TIME 4333.64 LOAD: AVG 0.118033 MAX 0.197118 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 4333.64 LOAD: AVG 0.118033 MAX 0.197118 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: TIME 4333.64 LOAD: AVG 0.118033 MAX 0.197118 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: ============== END OF LOAD BALANCING =============== 4333.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4333.65 PRESSURE: 1456400 353.692 8.44211 166.975 8.44189 -49.6872 53.3726 166.976 53.3745 104.363 GPRESSURE: 1456400 359.69 64.3518 227.207 -36.4518 -67.1935 71.7043 176.059 -42.6435 201.29 PRESSAVG: 1456400 9.71562 16.9641 -22.1453 16.9641 36.7187 -2.8078 -22.1453 -2.80784 -34.3748 GPRESSAVG: 1456400 8.78604 18.4549 -20.8568 15.781 35.669 -4.51196 -22.7924 -3.16467 -32.2863 TIMING: 1456400 CPU: 4330.52, 0.00302166/step Wall: 4330.52, 0.00302166/step, 2.97432 hours remaining, 205.492188 MB of memory in use. ENERGY: 1456400 722.0712 2081.0723 1950.7803 108.2148 -206583.7250 18035.9120 0.0000 0.0000 34265.4851 -149420.1894 299.2490 -183685.6745 -149321.1304 299.0957 136.1226 164.5955 556819.8948 4.0198 4.0563 PRESSURE: 1456600 -85.3391 -76.1194 -40.6164 -76.1193 63.5254 52.3516 -40.6166 52.3522 -229.885 GPRESSURE: 1456600 -18.0616 -22.155 9.02355 -106.794 82.1585 53.2792 -93.2627 42.0966 -204.454 PRESSAVG: 1456600 61.9186 6.1026 -0.440852 6.1026 -58.9447 16.0937 -0.440704 16.0936 30.723 GPRESSAVG: 1456600 62.1554 4.17163 0.515017 4.785 -57.7554 18.4606 -2.74052 15.2226 30.1127 TIMING: 1456600 CPU: 4331.11, 0.00296665/step Wall: 4331.11, 0.00296665/step, 2.92001 hours remaining, 205.492188 MB of memory in use. ENERGY: 1456600 738.5947 2068.6518 1945.0389 114.5798 -206569.6479 17890.1187 0.0000 0.0000 34459.6315 -149353.0326 300.9445 -183812.6641 -149257.2293 298.9709 -83.8996 -46.7858 555782.5127 11.2323 11.5042 PRESSURE: 1456800 82.6914 24.2163 182.97 24.2169 -44.0105 -46.209 182.97 -46.2093 -145.355 GPRESSURE: 1456800 87.1004 -1.15972 159.083 60.0327 17.473 -66.0283 203.931 56.5307 -115.317 PRESSAVG: 1456800 -28.141 8.06216 21.8225 8.06221 54.2317 -2.22578 21.8224 -2.22581 -33.7894 GPRESSAVG: 1456800 -28.0184 10.1849 22.5252 9.28997 53.3391 -2.99636 22.229 -0.401948 -32.9514 TIMING: 1456800 CPU: 4331.71, 0.00296682/step Wall: 4331.71, 0.00296682/step, 2.92001 hours remaining, 205.492188 MB of memory in use. ENERGY: 1456800 745.2812 2073.2468 1975.3909 112.0263 -206311.2535 17845.5420 0.0000 0.0000 34068.3126 -149491.4537 297.5270 -183559.7663 -149390.2504 299.1691 -35.5582 -3.5811 556754.6295 -2.5662 -2.5436 PRESSURE: 1457000 167.576 -176.489 -47.8224 -176.49 -130.893 -198.991 -47.823 -198.991 -95.344 GPRESSURE: 1457000 174.214 -156.891 -7.09588 -117.776 -75.2294 -277.001 -20.7877 -176.042 -58.9438 PRESSAVG: 1457000 61.3778 -21.9509 60.3837 -21.9509 35.3355 -34.1939 60.3837 -34.194 -68.7446 GPRESSAVG: 1457000 61.4683 -24.9366 59.999 -19.4548 35.4378 -33.8634 61.6263 -35.0799 -69.2074 TIMING: 1457000 CPU: 4332.3, 0.00298193/step Wall: 4332.3, 0.00298193/step, 2.93472 hours remaining, 205.492188 MB of memory in use. ENERGY: 1457000 759.5156 2047.4985 1932.3627 117.2780 -206545.9368 17818.8122 0.0000 0.0000 34472.5370 -149397.9326 301.0572 -183870.4696 -149300.7367 299.0614 -19.5537 13.3468 556655.4437 9.3229 9.2329 PRESSURE: 1457200 19.9123 195.948 -13.5688 195.949 -124.321 -31.5721 -13.5679 -31.5742 -100.335 GPRESSURE: 1457200 12.575 159.845 15.7538 147.02 -111.108 10.6336 -77.7387 -69.0923 -26.4569 PRESSAVG: 1457200 21.8132 -0.243588 67.1022 -0.243547 12.8526 -14.1348 67.1023 -14.1348 -8.42934 GPRESSAVG: 1457200 20.6124 0.126825 64.7924 -1.27131 13.6834 -12.4756 69.3322 -15.6698 -8.41661 TIMING: 1457200 CPU: 4332.9, 0.00297716/step Wall: 4332.9, 0.00297716/step, 2.92985 hours remaining, 205.492188 MB of memory in use. ENERGY: 1457200 723.5708 2146.7927 1951.9727 118.3357 -206246.1533 17703.6330 0.0000 0.0000 34312.1932 -149289.6551 299.6569 -183601.8483 -149195.7596 299.5199 -68.2478 -41.6633 556817.6498 8.7455 8.6264 PRESSURE: 1457400 98.9063 18.2027 -83.6695 18.2021 -53.1091 -30.2165 -83.6682 -30.2174 -209.342 GPRESSURE: 1457400 108.997 21.4832 -158.6 74.0987 -3.39405 -109.544 -29.4609 25.5138 -168.114 PRESSAVG: 1457400 33.2853 -35.5556 31.8771 -35.5556 8.13485 24.1594 31.8771 24.1595 -30.1101 GPRESSAVG: 1457400 33.8899 -33.347 34.2577 -36.8248 8.53553 21.9281 28.3908 25.8438 -30.6793 TIMING: 1457400 CPU: 4333.49, 0.00297376/step Wall: 4333.49, 0.00297376/step, 2.92634 hours remaining, 205.492188 MB of memory in use. ENERGY: 1457400 745.7646 2130.1406 1953.8324 109.0562 -206059.7552 17638.3894 0.0000 0.0000 34328.9009 -149153.6712 299.8028 -183482.5721 -149049.3653 299.7979 -54.5149 -20.8370 557158.6014 3.7700 3.9154 PRESSURE: 1457600 280.686 -49.8776 31.7373 -49.8788 -204.96 -15.182 31.739 -15.1816 -22.6082 GPRESSURE: 1457600 334.855 -15.5847 112.942 -22.5425 -189.553 -64.541 -34.4038 25.8113 3.52805 PRESSAVG: 1457600 50.8912 0.62025 127.639 0.620311 -9.72235 22.131 127.639 22.1311 -37.4383 GPRESSAVG: 1457600 51.2425 -1.68145 127.949 2.66551 -10.0351 23.2278 127.047 21.3148 -37.874 TIMING: 1457600 CPU: 4334.09, 0.00295673/step Wall: 4334.09, 0.00295673/step, 2.90942 hours remaining, 205.492188 MB of memory in use. ENERGY: 1457600 712.4694 2102.6321 1930.9359 109.8047 -206041.4470 17674.7302 0.0000 0.0000 34290.8697 -149220.0049 299.4707 -183510.8746 -149125.7887 299.0529 17.7062 49.6100 558055.2437 1.2435 1.1111 PRESSURE: 1457800 38.5128 -61.0127 -35.0513 -61.0119 -55.1882 134.97 -35.0499 134.969 -281.744 GPRESSURE: 1457800 31.5646 51.18 -31.8136 -84.9637 11.8903 90.3244 5.88249 124.062 -247.073 PRESSAVG: 1457800 33.8377 -57.6877 7.35636 -57.6876 16.7591 31.5806 7.35638 31.5806 -100.078 GPRESSAVG: 1457800 34.2662 -54.18 7.51596 -57.8627 16.159 30.02 8.18863 32.1187 -99.9514 TIMING: 1457800 CPU: 4334.68, 0.00297763/step Wall: 4334.68, 0.00297763/step, 2.92983 hours remaining, 205.492188 MB of memory in use. ENERGY: 1457800 725.5516 2106.2018 1929.4301 118.1495 -205788.5691 17559.4657 0.0000 0.0000 34151.9384 -149197.8320 298.2574 -183349.7704 -149102.1220 299.8900 -99.4732 -67.8728 558191.0476 -16.4938 -16.5087 PRESSURE: 1458000 198.255 -59.9914 -140.264 -59.9905 374.39 270.013 -140.265 270.012 59.1445 GPRESSURE: 1458000 241.827 -42.3488 -175.533 -44.1319 382.376 265.911 -192.518 209.484 101.095 PRESSAVG: 1458000 44.1831 -9.6276 18.6058 -9.6276 13.0171 12.434 18.6058 12.434 -3.6323 GPRESSAVG: 1458000 44.0556 -12.2396 16.6619 -9.47567 12.0414 12.3978 18.8118 11.3331 -2.26524 TIMING: 1458000 CPU: 4335.28, 0.00299848/step Wall: 4335.28, 0.00299848/step, 2.95017 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: 1458000 703.4103 2111.7817 1947.9637 112.1700 -206650.5897 18191.2642 0.0000 0.0000 34261.7818 -149322.2180 299.2167 -183583.9998 -149225.3554 299.6086 210.5966 241.7662 557998.0773 17.8560 17.9439 PRESSURE: 1458200 -182.645 -110.223 81.0341 -110.222 61.0194 50.1806 81.0335 50.1807 -12.1097 GPRESSURE: 1458200 -192.028 -91.275 40.7605 -93.7994 194.034 12.1633 134.664 43.5857 -46.1248 PRESSAVG: 1458200 36.3256 22.0751 -7.77608 22.0751 10.5175 43.8878 -7.77617 43.8876 -46.1806 GPRESSAVG: 1458200 35.977 21.3203 -7.46436 20.6176 11.848 45.8907 -8.13819 43.9394 -47.442 TIMING: 1458200 CPU: 4335.88, 0.00298018/step Wall: 4335.88, 0.00298018/step, 2.932 hours remaining, 205.492188 MB of memory in use. ENERGY: 1458200 755.5337 2172.6502 1918.2014 132.0427 -206114.0488 17616.9512 0.0000 0.0000 34098.6729 -149419.9968 297.7922 -183518.6696 -149338.9929 298.7188 -44.5785 -14.7062 556522.3919 0.2208 0.1277 PRESSURE: 1458400 -33.4409 56.4113 33.3355 56.412 -150.771 -54.357 33.3352 -54.3584 16.1898 GPRESSURE: 1458400 22.4436 13.4191 108.254 101.536 -123.725 -80.8026 -11.5954 -36.7401 23.4222 PRESSAVG: 1458400 10.8771 -22.8398 -28.2868 -22.8398 33.1377 -29.0339 -28.2867 -29.0338 -56.4142 GPRESSAVG: 1458400 11.0269 -22.6011 -29.321 -20.4808 32.059 -30.3452 -28.2315 -30.2548 -55.8286 TIMING: 1458400 CPU: 4336.47, 0.00295874/step Wall: 4336.47, 0.00295874/step, 2.91074 hours remaining, 205.492188 MB of memory in use. ENERGY: 1458400 737.7291 2090.7968 1918.8471 107.6145 -206595.1532 17784.8361 0.0000 0.0000 34362.5433 -149592.7864 300.0966 -183955.3297 -149489.6339 298.2246 -56.0074 -25.9530 557037.0304 -4.1331 -4.2476 PRESSURE: 1458600 -50.9046 -31.9245 -220.34 -31.9243 -117.395 25.6991 -220.338 25.7006 -79.6687 GPRESSURE: 1458600 -56.6804 48.1203 -187.616 -5.42381 -72.3848 10.5296 -210.946 -13.3455 -34.2876 PRESSAVG: 1458600 1.07598 -30.1782 -25.4863 -30.1782 33.7507 -10.974 -25.4864 -10.9741 -43.1301 GPRESSAVG: 1458600 0.181824 -30.1792 -23.4799 -30.1068 34.4799 -8.87158 -23.7029 -10.6716 -42.7944 TIMING: 1458600 CPU: 4337.06, 0.00296031/step Wall: 4337.06, 0.00296031/step, 2.91212 hours remaining, 205.492188 MB of memory in use. ENERGY: 1458600 761.7712 2088.3531 1921.4611 104.4680 -206243.2099 17803.6109 0.0000 0.0000 34097.9979 -149465.5478 297.7863 -183563.5457 -149375.0024 298.3963 -82.6562 -54.4510 557590.5288 -2.7678 -2.7109 PRESSURE: 1458800 22.4095 40.4747 14.4015 40.4751 -112.762 30.1506 14.4005 30.151 -153.331 GPRESSURE: 1458800 71.7515 49.8685 -26.8973 -23.478 -70.5905 10.6535 1.74904 128.41 -147.659 PRESSAVG: 1458800 -36.6658 -1.19371 -17.2304 -1.19367 7.72034 -17.6302 -17.2304 -17.6301 33.8287 GPRESSAVG: 1458800 -35.1971 -1.17202 -19.0045 -3.91412 8.16632 -20.6415 -17.0427 -18.4419 32.3785 TIMING: 1458800 CPU: 4337.65, 0.00296596/step Wall: 4337.65, 0.00296596/step, 2.91752 hours remaining, 205.492188 MB of memory in use. ENERGY: 1458800 764.2634 2098.4994 1944.5848 117.5233 -206292.6860 17788.5469 0.0000 0.0000 34149.1614 -149430.1069 298.2331 -183579.2683 -149338.7693 299.0804 -81.2277 -48.8328 557855.4043 1.6277 1.7826 PRESSURE: 1459000 145.946 -29.644 64.2652 -29.6441 53.434 149.902 64.2658 149.902 -83.2524 GPRESSURE: 1459000 121.033 -38.3012 53.5198 -13.5768 92.2852 100.975 126.954 71.5415 -12.2286 PRESSAVG: 1459000 22.2418 -15.9519 -28.269 -15.9518 40.2992 30.2109 -28.2689 30.2109 -76.2937 GPRESSAVG: 1459000 21.1714 -16.3734 -27.3616 -13.3788 39.061 32.3721 -30.3266 30.8487 -74.3177 TIMING: 1459000 CPU: 4338.25, 0.00298294/step Wall: 4338.25, 0.00298294/step, 2.93405 hours remaining, 205.492188 MB of memory in use. ENERGY: 1459000 766.1356 2057.1543 1937.0488 116.2337 -206316.5264 18063.4673 0.0000 0.0000 34120.0790 -149256.4077 297.9791 -183376.4867 -149155.1068 298.4211 38.7092 67.0297 558344.2033 -4.5842 -4.6951 PRESSURE: 1459200 -26.6662 -9.41252 -125.288 -9.4135 -57.6343 -101.625 -125.291 -101.625 -205.854 GPRESSURE: 1459200 0.368214 -42.1954 -83.2401 31.4294 -31.5306 -100.124 -144.508 -113.202 -163.072 PRESSAVG: 1459200 27.578 32.9743 25.5846 32.9743 34.614 24.7344 25.5846 24.7344 -55.1489 GPRESSAVG: 1459200 27.1921 33.472 26.1056 33.041 35.6544 22.5685 28.9778 26.4016 -55.9627 TIMING: 1459200 CPU: 4338.84, 0.00296505/step Wall: 4338.84, 0.00296505/step, 2.91629 hours remaining, 205.492188 MB of memory in use. ENERGY: 1459200 781.1252 2086.4910 1969.8073 124.3944 -206224.7145 17973.1311 0.0000 0.0000 34085.7608 -149204.0046 297.6794 -183289.7654 -149115.4704 298.7121 -96.7180 -64.7447 558546.2942 2.3477 2.2946 PRESSURE: 1459400 -136.074 90.3631 -25.1877 90.3646 176.324 32.8766 -25.1874 32.8751 28.2267 GPRESSURE: 1459400 -55.235 73.3779 -18.4545 84.5945 239.745 93.914 -4.59852 -29.5572 -22.7236 PRESSAVG: 1459400 -10.7574 78.7776 -41.3438 78.7775 34.1079 71.4807 -41.3438 71.4807 -45.994 GPRESSAVG: 1459400 -10.6746 78.4301 -40.5345 77.8065 34.9824 72.7514 -42.7184 69.9653 -47.4791 TIMING: 1459400 CPU: 4339.44, 0.00296825/step Wall: 4339.44, 0.00296825/step, 2.91927 hours remaining, 205.492188 MB of memory in use. ENERGY: 1459400 715.8910 2052.3674 1952.7017 97.8881 -206272.0343 17849.1500 0.0000 0.0000 34257.4231 -149346.6131 299.1786 -183604.0362 -149249.4864 298.4726 22.8256 53.9287 559038.2126 -7.5478 -7.7238 PRESSURE: 1459600 -142.696 -99.2765 -118.916 -99.2768 76.6884 -5.03186 -118.915 -5.03179 -14.7721 GPRESSURE: 1459600 -87.5509 -180.515 -61.1728 -14.3455 72.1151 49.3905 -109.625 44.2101 41.2196 PRESSAVG: 1459600 -9.15173 49.2896 -68.1514 49.2896 3.72844 12.807 -68.1514 12.807 -10.4274 GPRESSAVG: 1459600 -8.63565 48.0729 -67.886 48.8433 1.43123 13.8636 -68.9888 13.5623 -8.46146 TIMING: 1459600 CPU: 4340.03, 0.00298003/step Wall: 4340.03, 0.00298003/step, 2.9307 hours remaining, 205.492188 MB of memory in use. ENERGY: 1459600 730.5414 2130.4207 1956.9892 105.2251 -206383.0792 17832.9383 0.0000 0.0000 34220.0247 -149406.9397 298.8520 -183626.9644 -149310.9210 298.6066 -26.9266 8.5946 557383.6632 -5.2836 -5.2220 PRESSURE: 1459800 96.9 -148.936 -43.1894 -148.935 -94.956 2.98474 -43.1903 2.98628 -300.625 GPRESSURE: 1459800 125.274 -63.3462 -57.2861 -225.97 -81.3233 12.4916 -58.664 -0.538786 -262.743 PRESSAVG: 1459800 -6.45986 27.7121 -86.2486 27.7121 -6.71562 -45.6854 -86.2486 -45.6853 -2.07056 GPRESSAVG: 1459800 -6.34724 29.1506 -87.5444 27.6781 -5.16873 -45.7109 -86.9575 -45.5101 -3.96069 TIMING: 1459800 CPU: 4340.63, 0.00298033/step Wall: 4340.63, 0.00298033/step, 2.93082 hours remaining, 205.492188 MB of memory in use. ENERGY: 1459800 751.0015 2148.3491 1954.5987 119.7368 -206676.1849 17937.6574 0.0000 0.0000 34247.5383 -149517.3030 299.0923 -183764.8413 -149410.6509 298.3079 -99.5604 -72.9308 558154.3093 -5.0820 -5.1589 PRESSURE: 1460000 176.906 -16.6588 -212.759 -16.6596 47.2889 174.479 -212.759 174.479 4.72177 GPRESSURE: 1460000 280.349 -44.6223 -122.591 17.5107 56.9667 120.257 -231.711 180.525 -18.0975 PRESSAVG: 1460000 -41.3215 14.364 -47.3057 14.364 31.755 59.1778 -47.3057 59.1778 34.6175 GPRESSAVG: 1460000 -41.9038 15.1536 -47.8244 15.2711 30.3939 56.881 -44.1582 58.6689 35.8061 TIMING: 1460000 CPU: 4341.23, 0.00301265/step Wall: 4341.23, 0.00301265/step, 2.96243 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: 1460000 734.3253 2151.3130 1963.1448 116.2926 -206501.1060 17954.5141 0.0000 0.0000 33997.5569 -149583.9593 296.9091 -183581.5162 -149492.9439 298.1835 76.3056 106.4062 556320.7693 8.3504 8.0987 PRESSURE: 1460200 -133.683 79.4639 -46.0238 79.4639 -12.2289 20.2643 -46.023 20.2639 -79.3139 GPRESSURE: 1460200 -53.2396 4.54721 15.2286 176.943 -0.558466 42.9693 -92.4025 -11.6321 -78.3909 PRESSAVG: 1460200 -10.2385 -41.7959 -88.1834 -41.7958 22.8816 37.2566 -88.1833 37.2566 -3.39938 GPRESSAVG: 1460200 -8.94553 -44.7278 -89.7961 -41.1661 23.5008 37.2497 -87.9756 38.8416 -5.53227 TIMING: 1460200 CPU: 4341.83, 0.00300081/step Wall: 4341.83, 0.00300081/step, 2.95063 hours remaining, 205.492188 MB of memory in use. ENERGY: 1460200 734.3571 2136.4792 1955.6220 110.1855 -206318.5631 17739.8280 0.0000 0.0000 34024.6152 -149617.4760 297.1454 -183642.0913 -149524.6874 298.0482 -75.0751 -44.0630 556340.0121 3.0813 3.0077 LDB: ============= START OF LOAD BALANCING ============== 4345.26 LDB: ============== END OF LOAD BALANCING =============== 4345.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4345.26 LDB: ============= START OF LOAD BALANCING ============== 4345.57 LDB: Largest compute 4847 load 0.025950 is 22.0% of average load 0.118054 LDB: Average compute 0.001715 is 1.5% of average load 0.118054 LDB: TIME 4345.57 LOAD: AVG 0.118054 MAX 0.204544 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 4345.57 LOAD: AVG 0.118054 MAX 0.204544 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: TIME 4345.57 LOAD: AVG 0.118054 MAX 0.204544 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4345.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4345.58 PRESSURE: 1460400 -76.0437 -44.6638 -92.6236 -44.6639 71.4445 133.369 -92.6253 133.37 -0.364945 GPRESSURE: 1460400 -13.7354 -109.036 -106.713 -25.25 91.7193 132.965 -65.874 147.855 13.8221 PRESSAVG: 1460400 17.5915 -16.4415 6.24697 -16.4415 11.2523 72.3908 6.24695 72.3908 -21.1756 GPRESSAVG: 1460400 15.155 -15.0705 6.7946 -16.3426 10.8012 73.1477 4.59419 70.4846 -19.3913 TIMING: 1460400 CPU: 4342.45, 0.00307283/step Wall: 4342.45, 0.00307283/step, 3.02128 hours remaining, 205.230469 MB of memory in use. ENERGY: 1460400 749.3994 2077.2411 1960.1338 105.2786 -206514.2397 17892.0410 0.0000 0.0000 34076.0243 -149654.1216 297.5944 -183730.1459 -149553.0038 298.0585 -1.6547 30.6020 556877.8555 2.5561 2.1883 PRESSURE: 1460600 -218.848 20.7735 16.073 20.7738 -153.432 6.27691 16.073 6.27693 -349 GPRESSURE: 1460600 -185.713 -59.0213 30.2634 26.3738 -134.367 26.8098 52.7353 -99.306 -303.262 PRESSAVG: 1460600 -23.6665 14.2507 -13.2039 14.2507 16.6646 54.9194 -13.2041 54.9195 -58.9502 GPRESSAVG: 1460600 -23.8707 16.6743 -12.9042 11.7068 17.0017 54.7819 -13.4616 55.6868 -58.6804 TIMING: 1460600 CPU: 4343.05, 0.00300805/step Wall: 4343.05, 0.00300805/step, 2.95741 hours remaining, 205.230469 MB of memory in use. ENERGY: 1460600 759.6047 2070.9858 1964.2713 98.4512 -206168.7464 17603.5439 0.0000 0.0000 33954.2824 -149717.6072 296.5312 -183671.8896 -149616.8330 297.6666 -240.4269 -207.7806 557825.3414 -21.9840 -21.8498 PRESSURE: 1460800 13.6986 35.9681 -14.4095 35.9688 -196.783 154.941 -14.4092 154.941 -233.724 GPRESSURE: 1460800 43.1333 99.6004 -17.9566 -1.43357 -181.783 109.578 10.1509 157.084 -182.558 PRESSAVG: 1460800 44.1467 -33.6357 -17.2308 -33.6358 34.4928 36.1835 -17.2309 36.1835 -68.2804 GPRESSAVG: 1460800 44.3092 -36.6769 -18.8193 -31.3041 34.3916 36.2449 -15.7991 36.2271 -68.8681 TIMING: 1460800 CPU: 4343.65, 0.0029864/step Wall: 4343.65, 0.0029864/step, 2.93597 hours remaining, 205.230469 MB of memory in use. ENERGY: 1460800 735.1691 2081.1833 1958.3587 121.8843 -206354.0606 17648.5945 0.0000 0.0000 34174.4822 -149634.3884 298.4543 -183808.8706 -149532.8569 297.8188 -138.9361 -107.0691 556811.8631 3.4530 3.2776 PRESSURE: 1461000 107.203 28.0253 28.5694 28.0253 -89.4901 42.9019 28.5696 42.9005 -157.508 GPRESSURE: 1461000 159.149 13.0454 -64.4907 15.4208 -25.3038 41.1892 32.4517 39.8341 -167.357 PRESSAVG: 1461000 29.2846 47.4492 -27.6794 47.4492 49.7158 -14.2782 -27.6794 -14.2784 -19.6404 GPRESSAVG: 1461000 30.126 47.9761 -24.5646 46.121 49.5352 -12.9991 -29.5202 -14.3679 -19.3318 TIMING: 1461000 CPU: 4344.24, 0.002987/step Wall: 4344.24, 0.002987/step, 2.93639 hours remaining, 205.230469 MB of memory in use. ENERGY: 1461000 766.2083 2120.8211 1973.2881 118.8610 -206762.7897 17909.1995 0.0000 0.0000 34236.1300 -149638.2816 298.9926 -183874.4116 -149543.3790 298.0741 -46.5984 -11.1705 556450.9359 19.7866 20.1098 PRESSURE: 1461200 -102.388 -36.0405 -22.1753 -36.0396 40.2172 -59.4327 -22.1746 -59.4343 -143.985 GPRESSURE: 1461200 -75.0949 32.9662 -31.0637 -74.161 28.4642 -77.2726 -72.7229 -72.1222 -75.4335 PRESSAVG: 1461200 48.9179 11.9378 -46.2361 11.9377 -25.1029 -12.7252 -46.2361 -12.7252 -38.8515 GPRESSAVG: 1461200 47.4996 14.0864 -46.8732 10.2046 -24.8309 -14.0341 -45.2343 -11.999 -37.7303 TIMING: 1461200 CPU: 4344.84, 0.00298743/step Wall: 4344.84, 0.00298743/step, 2.93665 hours remaining, 205.230469 MB of memory in use. ENERGY: 1461200 743.7778 2095.0577 1965.4051 117.2693 -206388.4880 17833.5946 0.0000 0.0000 33998.0001 -149635.3834 296.9130 -183633.3835 -149536.6325 297.9609 -68.7186 -40.6881 557131.4432 -5.0122 -5.0205 PRESSURE: 1461400 93.351 33.8446 -62.7834 33.8456 149.613 -135.321 -62.7831 -135.32 -5.44934 GPRESSURE: 1461400 130.065 45.8197 -2.79637 -28.1071 208.747 -106.88 -38.6769 -160.859 1.34478 PRESSAVG: 1461400 43.9202 -25.2281 -11.5863 -25.228 22.059 0.270678 -11.5863 0.270709 -17.0602 GPRESSAVG: 1461400 44.6533 -25.6348 -13.9173 -24.5849 22.8032 -1.1332 -9.92226 -0.889892 -18.1797 TIMING: 1461400 CPU: 4345.45, 0.00302425/step Wall: 4345.45, 0.00302425/step, 2.97267 hours remaining, 205.230469 MB of memory in use. ENERGY: 1461400 767.8362 2022.3025 1953.0595 113.6758 -206457.8870 18031.5875 0.0000 0.0000 33981.8260 -149587.5994 296.7717 -183569.4254 -149493.3942 297.6239 79.1716 113.3856 556377.7060 16.3063 16.4256 PRESSURE: 1461600 156.671 193.493 -114.403 193.492 1.96574 225.848 -114.404 225.847 -168.601 GPRESSURE: 1461600 189.68 175.509 -72.8178 243.916 29.3989 202.962 -113.21 227.219 -135.213 PRESSAVG: 1461600 73.0546 -13.754 -21.7415 -13.754 -35.9409 -31.6734 -21.7416 -31.6733 -7.96307 GPRESSAVG: 1461600 73.9 -14.1157 -19.3347 -13.7953 -35.7106 -29.648 -24.3911 -30.6422 -8.50859 TIMING: 1461600 CPU: 4346.05, 0.0030001/step Wall: 4346.05, 0.0030001/step, 2.94876 hours remaining, 205.230469 MB of memory in use. ENERGY: 1461600 735.4024 2061.5369 1968.2500 108.9201 -206204.1069 17711.8497 0.0000 0.0000 34099.9465 -149518.2013 297.8033 -183618.1478 -149427.1251 297.5448 -3.3214 27.9552 555895.6722 9.7169 9.8936 PRESSURE: 1461800 -257.629 34.9649 162.469 34.9636 -24.3413 -51.5897 162.469 -51.5869 -66.4522 GPRESSURE: 1461800 -222.662 44.2703 155.673 -13.7109 28.7054 -46.6795 178.503 -37.9003 -47.6922 PRESSAVG: 1461800 -4.52505 7.37421 -53.7001 7.37412 38.3949 -9.90483 -53.7002 -9.90487 -21.5774 GPRESSAVG: 1461800 -4.05534 7.81627 -53.1166 7.71366 38.0241 -12.3802 -54.7833 -8.27456 -21.498 TIMING: 1461800 CPU: 4346.65, 0.0030173/step Wall: 4346.65, 0.0030173/step, 2.96551 hours remaining, 205.230469 MB of memory in use. ENERGY: 1461800 752.9698 2062.7395 1937.7533 106.5174 -206390.9670 17795.7074 0.0000 0.0000 34189.2451 -149546.0344 298.5832 -183735.2795 -149453.0756 297.5057 -116.1409 -80.5494 555927.1708 4.0975 4.1569 PRESSURE: 1462000 -242.484 3.37947 17.2197 3.37898 -226.595 34.4829 17.2195 34.4854 -10.4508 GPRESSURE: 1462000 -132.487 67.5325 10.2612 -25.2384 -226.14 37.3157 15.0622 116.121 -14.2216 PRESSAVG: 1462000 -10.6838 -1.09196 3.9345 -1.09201 33.6763 12.0719 3.9345 12.0719 -24.5134 GPRESSAVG: 1462000 -11.5725 -1.12241 0.492367 -1.52437 34.514 13.2101 5.7382 10.8242 -24.6737 TIMING: 1462000 CPU: 4347.25, 0.00299819/step Wall: 4347.25, 0.00299819/step, 2.94656 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: 1462000 749.3712 2029.2692 1957.9748 114.5280 -206004.2989 17516.4887 0.0000 0.0000 34159.0945 -149477.5727 298.3199 -183636.6672 -149379.6638 298.3827 -159.8431 -124.2829 557461.2995 -0.5069 -0.5774 PRESSURE: 1462200 119.54 -92.1304 -1.83582 -92.1301 62.9171 60.8772 -1.83601 60.877 201.301 GPRESSURE: 1462200 160.752 -107.587 1.70517 -51.5247 112.18 96.6753 21.199 -73.3415 213.71 PRESSAVG: 1462200 44.546 26.7913 19.2817 26.7912 16.1864 -36.1618 19.2818 -36.1618 -45.82 GPRESSAVG: 1462200 44.4924 25.3539 20.6756 26.619 15.4385 -33.5868 18.303 -38.282 -44.6617 TIMING: 1462200 CPU: 4347.85, 0.00301738/step Wall: 4347.85, 0.00301738/step, 2.96525 hours remaining, 205.230469 MB of memory in use. ENERGY: 1462200 742.9096 2082.6333 1949.3312 121.0079 -206504.3806 17961.8281 0.0000 0.0000 34190.1358 -149456.5348 298.5910 -183646.6706 -149365.6491 298.8170 127.9194 162.2140 557787.7975 4.9708 5.0897 PRESSURE: 1462400 186.321 -94.7944 24.8149 -94.7928 -15.7172 146.243 24.8164 146.242 -15.5939 GPRESSURE: 1462400 196.292 -159.178 45.5905 -62.1348 49.0623 141.692 40.3167 120.183 2.33575 PRESSAVG: 1462400 9.04981 -57.2522 0.805105 -57.2521 -43.7005 -9.76083 0.8052 -9.7608 -40.0008 GPRESSAVG: 1462400 8.44337 -54.8727 2.11285 -55.1606 -43.0502 -11.4288 1.59566 -8.0797 -39.7931 TIMING: 1462400 CPU: 4348.45, 0.00299532/step Wall: 4348.45, 0.00299532/step, 2.9434 hours remaining, 205.230469 MB of memory in use. ENERGY: 1462400 709.1332 2082.4781 1955.9606 115.2616 -206782.9130 17992.5224 0.0000 0.0000 34199.0461 -149728.5110 298.6688 -183927.5571 -149632.2499 298.1882 51.6700 82.5634 556596.0536 -24.8838 -24.8000 PRESSURE: 1462600 -184.21 7.65545 10.7314 7.65528 -216.497 27.7042 10.7309 27.704 33.5993 GPRESSURE: 1462600 -174.911 -62.2922 59.671 97.2222 -163.805 36.5672 63.2083 82.1551 57.2277 PRESSAVG: 1462600 39.9165 -34.0605 31.9097 -34.0605 -30.4454 -11.3476 31.9097 -11.3477 3.0877 GPRESSAVG: 1462600 40.3535 -36.0876 30.9681 -34.1612 -30.6085 -9.77254 31.929 -12.3259 2.76304 TIMING: 1462600 CPU: 4349.05, 0.00297731/step Wall: 4349.05, 0.00297731/step, 2.92554 hours remaining, 205.230469 MB of memory in use. ENERGY: 1462600 787.0854 2086.8302 1955.6418 121.8084 -206481.4128 17780.6099 0.0000 0.0000 34194.3474 -149555.0895 298.6277 -183749.4369 -149461.0079 298.6470 -122.3693 -93.8294 558240.2329 4.1863 4.1694 PRESSURE: 1462800 -97.0818 58.3619 -38.0819 58.3621 -247.206 35.8421 -38.0813 35.8426 105.983 GPRESSURE: 1462800 -23.449 111.371 44.7035 63.8118 -224.232 23.3153 -94.5753 -44.4033 104.794 PRESSAVG: 1462800 2.05403 -16.2367 85.8897 -16.2367 -28.044 1.08574 85.8895 1.08567 13.4242 GPRESSAVG: 1462800 2.2906 -14.0568 84.274 -17.3061 -28.5701 0.485692 85.0698 2.43771 13.3486 TIMING: 1462800 CPU: 4349.64, 0.00298925/step Wall: 4349.64, 0.00298925/step, 2.9371 hours remaining, 205.230469 MB of memory in use. ENERGY: 1462800 758.5271 2087.9820 1949.1766 120.2105 -206170.6530 17635.7160 0.0000 0.0000 34109.5736 -149509.4671 297.8874 -183619.0407 -149418.8195 298.9864 -79.4348 -47.6290 556601.7921 -4.1886 -4.3103 PRESSURE: 1463000 -12.4286 1.55896 33.0015 1.55773 127.203 23.5295 33.0008 23.5305 152.222 GPRESSURE: 1463000 54.2783 -21.6141 63.3602 10.7612 145.272 68.553 -2.23891 -54.2711 172.419 PRESSAVG: 1463000 65.556 -25.2347 28.2739 -25.2347 -23.2287 -5.44176 28.2738 -5.44179 26.3174 GPRESSAVG: 1463000 64.6092 -27.4304 30.2274 -24.0381 -23.2262 -4.99405 27.1345 -6.52936 26.9466 TIMING: 1463000 CPU: 4350.24, 0.00300036/step Wall: 4350.24, 0.00300036/step, 2.94786 hours remaining, 205.230469 MB of memory in use. ENERGY: 1463000 720.8991 2079.4122 1957.2841 114.6510 -206610.9959 17889.0959 0.0000 0.0000 34244.9790 -149604.6746 299.0699 -183849.6536 -149510.8228 298.1360 88.9986 123.9899 556431.8512 22.8816 22.7765 PRESSURE: 1463200 -4.19364 42.6212 18.5178 42.6209 89.1333 -96.1277 18.5176 -96.1272 -16.4977 GPRESSURE: 1463200 -40.1482 51.2903 -48.1596 45.2106 158.153 -40.2508 3.0674 -117.902 39.6862 PRESSAVG: 1463200 10.6908 15.4439 -13.2376 15.4439 55.2162 38.4882 -13.2376 38.4883 -72.049 GPRESSAVG: 1463200 11.8773 15.9238 -13.9875 14.174 53.4461 37.8141 -12.6058 39.5246 -71.6939 TIMING: 1463200 CPU: 4350.84, 0.00298857/step Wall: 4350.84, 0.00298857/step, 2.93611 hours remaining, 205.230469 MB of memory in use. ENERGY: 1463200 759.6857 2117.2219 1944.5444 98.8887 -206062.0786 17769.2292 0.0000 0.0000 33921.6693 -149450.8395 296.2464 -183372.5088 -149359.7672 297.8204 22.8140 52.5635 555843.1844 -2.0473 -2.1235 PRESSURE: 1463400 -66.5026 25.8865 -149.924 25.8861 133.563 0.0807953 -149.924 0.0808725 -254.336 GPRESSURE: 1463400 -10.3878 -17.2117 -169.794 23.478 124.318 20.3388 -151.667 -68.8479 -203.442 PRESSAVG: 1463400 -33.666 -21.2495 4.66974 -21.2494 73.6258 42.9225 4.66969 42.9224 -14.5168 GPRESSAVG: 1463400 -34.0597 -21.1337 4.53833 -20.3836 76.1499 42.26 6.01387 42.1561 -16.1565 TIMING: 1463400 CPU: 4351.44, 0.00301042/step Wall: 4351.44, 0.00301042/step, 2.9574 hours remaining, 205.230469 MB of memory in use. ENERGY: 1463400 792.2638 2068.1801 1954.9398 113.8385 -206376.1705 17853.3317 0.0000 0.0000 34373.1636 -149220.4531 300.1894 -183593.6166 -149135.7540 298.3790 -62.4252 -29.8372 558281.2993 8.4810 8.6446 PRESSURE: 1463600 -125.482 -32.2752 46.2119 -32.2763 33.341 47.2117 46.2127 47.2126 -443.381 GPRESSURE: 1463600 -85.5796 5.29657 26.5184 -134.534 47.2047 -28.9536 71.4408 65.0054 -387.574 PRESSAVG: 1463600 -14.3018 -66.8139 17.758 -66.814 60.842 8.58547 17.758 8.58533 -56.0897 GPRESSAVG: 1463600 -14.2634 -67.81 17.2844 -65.814 60.3654 8.92934 17.9727 9.82842 -55.2299 TIMING: 1463600 CPU: 4352.05, 0.00301746/step Wall: 4352.05, 0.00301746/step, 2.96416 hours remaining, 205.230469 MB of memory in use. ENERGY: 1463600 728.7647 2042.0601 1969.3395 104.8217 -205766.9560 17504.3347 0.0000 0.0000 34166.1977 -149251.4376 298.3819 -183417.6353 -149149.9401 299.4874 -178.5072 -141.9829 557551.0874 -3.1832 -3.0426 PRESSURE: 1463800 -23.1485 185.971 37.6626 185.972 22.8121 139.054 37.6622 139.053 -84.3309 GPRESSURE: 1463800 1.81352 168.445 48.9477 178.834 35.2204 146.777 39.7804 158.863 -14.4775 PRESSAVG: 1463800 -28.005 10.2653 8.09821 10.2653 67.6848 18.8984 8.09823 18.8983 -38.6568 GPRESSAVG: 1463800 -28.1772 12.238 9.75709 9.19408 67.5408 17.9276 5.96943 16.7942 -38.7999 TIMING: 1463800 CPU: 4352.65, 0.00300826/step Wall: 4352.65, 0.00300826/step, 2.95495 hours remaining, 205.230469 MB of memory in use. ENERGY: 1463800 733.4995 2014.2886 1964.0511 125.3808 -206230.1694 17732.5230 0.0000 0.0000 34379.6012 -149280.8252 300.2456 -183660.4265 -149179.6183 299.3368 -28.2224 7.5188 556422.8935 0.3410 0.1879 PRESSURE: 1464000 0.278655 -153.603 -85.9325 -153.603 -18.4639 -32.9673 -85.9327 -32.9654 34.0155 GPRESSURE: 1464000 19.8274 -191.281 -152.576 -105.285 -22.4433 78.5926 -33.2549 -43.5542 117.172 PRESSAVG: 1464000 -33.9152 -49.855 7.31761 -49.855 40.3027 -27.4323 7.31767 -27.4322 8.65083 GPRESSAVG: 1464000 -33.1281 -52.6842 5.64465 -48.4511 39.08 -24.9999 8.99988 -27.7865 8.66072 TIMING: 1464000 CPU: 4353.25, 0.00302172/step Wall: 4353.25, 0.00302172/step, 2.968 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: 1464000 732.4199 2066.8623 1938.0460 118.6448 -206317.9155 17818.6012 0.0000 0.0000 34337.4808 -149305.8605 299.8778 -183643.3413 -149202.4689 298.8213 5.2767 38.1853 557332.1857 5.0128 4.8708 PRESSURE: 1464200 283.672 53.2015 6.79921 53.2019 -166.31 -18.4707 6.79862 -18.4719 -192.998 GPRESSURE: 1464200 326.203 112.001 40.6264 31.3096 -133.116 26.5851 43.3499 -10.7402 -176.621 PRESSAVG: 1464200 89.3064 -34.5703 -33.9086 -34.5703 -45.6886 48.7677 -33.9085 48.7677 -40.8895 GPRESSAVG: 1464200 89.009 -33.082 -33.2811 -35.0849 -44.9428 48.6447 -34.0417 49.3765 -41.4106 TIMING: 1464200 CPU: 4353.86, 0.00303902/step Wall: 4353.86, 0.00303902/step, 2.98482 hours remaining, 205.230469 MB of memory in use. ENERGY: 1464200 757.8096 2065.9589 1930.9681 108.7338 -206265.4662 17799.6822 0.0000 0.0000 34262.6427 -149339.6709 299.2242 -183602.3136 -149247.2725 298.6082 -25.2120 5.4889 558563.6828 0.9094 0.8852 LDB: ============= START OF LOAD BALANCING ============== 4357.3 LDB: ============== END OF LOAD BALANCING =============== 4357.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4357.3 LDB: ============= START OF LOAD BALANCING ============== 4357.6 LDB: Largest compute 4847 load 0.025799 is 21.8% of average load 0.118147 LDB: Average compute 0.001708 is 1.4% of average load 0.118147 LDB: TIME 4357.6 LOAD: AVG 0.118147 MAX 0.206716 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 4357.6 LOAD: AVG 0.118147 MAX 0.206716 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.254 MB LDB: TIME 4357.6 LOAD: AVG 0.118147 MAX 0.206716 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.254 MB LDB: ============== END OF LOAD BALANCING =============== 4357.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4357.61 PRESSURE: 1464400 -245.357 -50.9145 14.3181 -50.9143 -10.0863 129.998 14.3176 129.997 -134.974 GPRESSURE: 1464400 -241.818 2.09533 -51.2133 -68.2178 22.5624 123.421 4.3221 51.0576 -66.8801 PRESSAVG: 1464400 93.7472 -62.3412 -11.0842 -62.3412 12.6849 54.9906 -11.0841 54.9907 -99.712 GPRESSAVG: 1464400 93.6254 -59.5758 -10.0776 -62.8909 13.3293 53.0531 -10.9798 56.3537 -100.147 TIMING: 1464400 CPU: 4354.48, 0.00309764/step Wall: 4354.48, 0.00309764/step, 3.04223 hours remaining, 205.550781 MB of memory in use. ENERGY: 1464400 752.7723 2117.3335 1943.8805 108.9118 -206243.1425 17787.7291 0.0000 0.0000 34258.4886 -149274.0267 299.1879 -183532.5154 -149175.6544 299.1501 -130.1390 -95.3786 559059.7100 2.2400 2.2692 PRESSURE: 1464600 -109.215 61.0322 68.7375 61.0346 -109.419 163.472 68.7364 163.474 -329.685 GPRESSURE: 1464600 -101.586 109.117 78.0811 -29.1269 -92.9187 118.814 95.5897 152.962 -255.058 PRESSAVG: 1464600 -33.6381 9.00305 15.8212 9.00301 71.9147 37.432 15.8213 37.432 7.30732 GPRESSAVG: 1464600 -35.2486 8.77378 16.6639 7.30304 72.3258 35.8684 15.812 38.5556 7.89889 TIMING: 1464600 CPU: 4355.08, 0.00301084/step Wall: 4355.08, 0.00301084/step, 2.95681 hours remaining, 205.550781 MB of memory in use. ENERGY: 1464600 745.3500 2080.4000 1921.9424 114.9580 -206105.6051 17553.7456 0.0000 0.0000 34198.4256 -149490.7835 298.6634 -183689.2091 -149394.9674 298.7442 -182.7732 -149.8540 558087.2268 15.1946 14.9920 PRESSURE: 1464800 -131.115 -63.9902 68.696 -63.9896 -5.35181 -30.1601 68.6963 -30.1615 -79.6051 GPRESSURE: 1464800 -76.8071 -16.3016 93.8859 -86.2982 72.4345 3.71113 29.9112 -64.823 -110.753 PRESSAVG: 1464800 5.7182 22.8136 33.7646 22.8137 37.729 29.701 33.7646 29.7009 -59.946 GPRESSAVG: 1464800 7.18395 22.0278 32.2114 25.3945 36.961 32.7521 31.8456 26.5856 -60.2001 TIMING: 1464800 CPU: 4355.68, 0.00300041/step Wall: 4355.68, 0.00300041/step, 2.9464 hours remaining, 205.550781 MB of memory in use. ENERGY: 1464800 750.0310 2131.9730 1948.7137 104.8319 -206522.5014 17754.9183 0.0000 0.0000 34377.3792 -149454.6543 300.2262 -183832.0335 -149355.8269 298.4439 -72.0238 -38.3753 557749.8813 -5.4996 -5.3517 PRESSURE: 1465000 158.627 -7.11327 35.5396 -7.11306 -53.4951 243.725 35.5399 243.726 46.344 GPRESSURE: 1465000 214.894 33.9823 69.0228 116.913 12.4558 186.667 31.3317 199.58 34.875 PRESSAVG: 1465000 82.6392 -29.911 49.8234 -29.911 -13.4674 30.1197 49.8233 30.1197 -19.6132 GPRESSAVG: 1465000 82.7336 -30.0598 49.0704 -29.151 -13.0208 28.5568 52.5428 31.8637 -20.3269 TIMING: 1465000 CPU: 4356.28, 0.00296422/step Wall: 4356.28, 0.00296422/step, 2.9107 hours remaining, 205.550781 MB of memory in use. ENERGY: 1465000 733.2462 2108.7167 1951.5056 120.7277 -206830.2838 17994.1071 0.0000 0.0000 34423.8643 -149498.1162 300.6322 -183921.9805 -149396.3915 298.8134 50.4918 87.4083 557045.5198 16.5195 16.4620 PRESSURE: 1465200 -2.0806 -151.306 -93.181 -151.306 278.328 17.0683 -93.1803 17.0678 42.9753 GPRESSURE: 1465200 35.5228 -161.675 -53.0836 -75.792 322.16 110.863 -121.896 -48.926 50.0708 PRESSAVG: 1465200 -38.4835 2.23379 -28.2618 2.23388 5.31422 7.55525 -28.2618 7.55514 21.7431 GPRESSAVG: 1465200 -37.7453 2.30343 -26.7297 -0.393103 4.14659 7.56646 -28.7532 8.39526 22.0818 TIMING: 1465200 CPU: 4356.87, 0.00296092/step Wall: 4356.87, 0.00296092/step, 2.90729 hours remaining, 205.550781 MB of memory in use. ENERGY: 1465200 780.5072 2119.5051 1956.3223 120.5030 -206767.5835 18242.4142 0.0000 0.0000 34075.4733 -149472.8584 297.5896 -183548.3317 -149381.3485 297.9610 106.4077 135.9179 558444.9333 -3.8087 -3.8390 PRESSURE: 1465400 35.7823 72.7601 52.9732 72.7598 -226.802 -79.9713 52.9726 -79.9716 -45.4189 GPRESSURE: 1465400 48.6235 98.6583 58.7224 18.3826 -207.914 -60.4973 51.2292 -15.5972 17.6559 PRESSAVG: 1465400 3.93136 27.812 -0.541221 27.8122 -53.8372 -11.7956 -0.54121 -11.7957 48.4925 GPRESSAVG: 1465400 4.39206 27.0363 -2.10002 29.1618 -54.289 -10.3602 -0.453785 -13.4254 48.3041 TIMING: 1465400 CPU: 4357.46, 0.00297872/step Wall: 4357.46, 0.00297872/step, 2.92461 hours remaining, 205.550781 MB of memory in use. ENERGY: 1465400 787.2031 2089.1619 1937.6632 110.7637 -206275.2000 17795.9990 0.0000 0.0000 34209.4782 -149344.9309 298.7599 -183554.4091 -149249.4179 298.3926 -78.8129 -47.2116 557651.0936 -0.4711 -0.5310 PRESSURE: 1465600 166.919 -15.5292 43.7107 -15.528 98.1784 5.99961 43.7129 5.99935 74.7412 GPRESSURE: 1465600 268.714 -63.2157 89.8782 19.7583 183.632 41.4601 52.3644 88.9551 -9.59663 PRESSAVG: 1465600 36.057 -50.4862 -0.749754 -50.4862 8.69031 13.3623 -0.749621 13.3623 -38.9206 GPRESSAVG: 1465600 35.5056 -49.5719 0.199544 -49.2934 8.97707 10.498 -2.16528 15.3322 -38.148 TIMING: 1465600 CPU: 4358.06, 0.0029913/step Wall: 4358.06, 0.0029913/step, 2.93679 hours remaining, 205.550781 MB of memory in use. ENERGY: 1465600 734.4532 2106.9691 1952.8313 105.0105 -206864.0746 18149.7361 0.0000 0.0000 34538.6800 -149276.3945 301.6349 -183815.0745 -149184.4468 299.4289 113.2796 147.5831 556262.7869 1.9422 2.1116 PRESSURE: 1465800 93.165 3.36803 178.859 3.36767 121.335 40.0661 178.858 40.0643 376.131 GPRESSURE: 1465800 155.074 45.2929 165.667 53.3883 127.798 -37.5529 168.054 85.4606 388.783 PRESSAVG: 1465800 81.4799 -32.3192 19.36 -32.3192 12.6385 -24.0221 19.36 -24.0221 -48.8677 GPRESSAVG: 1465800 81.2983 -31.893 19.3485 -33.4666 13.374 -22.7424 21.332 -24.9788 -49.2436 TIMING: 1465800 CPU: 4358.66, 0.0030122/step Wall: 4358.66, 0.0030122/step, 2.95714 hours remaining, 205.550781 MB of memory in use. ENERGY: 1465800 736.2290 2115.3235 1949.9075 107.6427 -206253.9946 17857.5792 0.0000 0.0000 34134.8991 -149352.4135 298.1086 -183487.3126 -149257.5992 298.9234 196.8769 223.8851 557368.6453 15.0835 15.1429 PRESSURE: 1466000 66.8822 -20.367 -64.8821 -20.3671 0.146305 -47.1023 -64.8826 -47.1032 -26.8192 GPRESSURE: 1466000 126.657 -2.22001 -56.3655 -39.1742 68.9523 -37.9812 9.5819 -103.287 -75.5099 PRESSAVG: 1466000 -46.9383 -21.7357 -16.2207 -21.7357 -10.074 29.3034 -16.2208 29.3034 26.5118 GPRESSAVG: 1466000 -46.1494 -23.7199 -15.449 -22.7108 -11.0739 29.3061 -16.8657 27.3441 27.061 TIMING: 1466000 CPU: 4359.26, 0.00298492/step Wall: 4359.26, 0.00298492/step, 2.93019 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: 1466000 807.7520 2070.1865 1973.9866 106.4739 -206314.2021 17812.1168 0.0000 0.0000 34235.0155 -149308.6708 298.9829 -183543.6863 -149221.9703 298.8305 13.4031 40.0330 555493.0866 -10.1668 -10.0541 PRESSURE: 1466200 158.817 -222.267 71.9931 -222.267 42.4359 69.8982 71.9944 69.899 -80.7114 GPRESSURE: 1466200 141.438 -209.274 39.4581 -206.531 93.8721 124.154 63.8099 38.3254 -17.3282 PRESSAVG: 1466200 31.0921 -74.8276 1.88192 -74.8275 -56.4135 19.1232 1.88201 19.1232 -17.3663 GPRESSAVG: 1466200 29.1885 -76.0304 2.19966 -73.28 -54.9816 19.063 2.22923 19.0617 -17.5715 TIMING: 1466200 CPU: 4359.86, 0.00298762/step Wall: 4359.86, 0.00298762/step, 2.93268 hours remaining, 205.550781 MB of memory in use. ENERGY: 1466200 734.7229 2062.8194 1951.4740 105.1408 -206277.2649 17832.8829 0.0000 0.0000 34151.1050 -149439.1200 298.2501 -183590.2249 -149337.5682 298.7118 40.1806 72.6607 557036.4328 -14.2292 -14.4549 PRESSURE: 1466400 -55.9365 -72.5406 -12.1293 -72.54 157.621 -108.426 -12.1293 -108.427 171.662 GPRESSURE: 1466400 -32.6147 -82.072 17.6111 -113.707 188.114 -113.577 34.9729 -42.8432 218.416 PRESSAVG: 1466400 27.3545 22.466 13.0882 22.466 -3.41214 28.299 13.0881 28.299 -16.3101 GPRESSAVG: 1466400 28.6044 25.1252 12.6256 20.4678 -4.42834 29.1837 12.1468 29.116 -16.1857 TIMING: 1466400 CPU: 4360.46, 0.00302387/step Wall: 4360.46, 0.00302387/step, 2.9681 hours remaining, 205.550781 MB of memory in use. ENERGY: 1466400 735.8793 2116.0599 1949.0987 126.9106 -206676.8663 17993.3564 0.0000 0.0000 34253.2959 -149502.2654 299.1426 -183755.5613 -149408.6874 298.4984 91.1155 124.6385 556064.0476 2.5441 2.6635 PRESSURE: 1466600 -161.308 42.2583 -21.6014 42.2586 -57.0131 -54.8544 -21.6001 -54.8544 -49.8651 GPRESSURE: 1466600 -150.868 -13.7528 -28.5682 77.9737 -62.4635 -88.59 -68.2695 -12.4655 41.9743 PRESSAVG: 1466600 -29.8026 -29.4391 25.3053 -29.4391 43.05 40.1693 25.3053 40.1692 40.8659 GPRESSAVG: 1466600 -29.8801 -30.963 26.6949 -29.5827 43.0081 38.2519 25.5688 40.843 41.2876 TIMING: 1466600 CPU: 4361.07, 0.00301164/step Wall: 4361.07, 0.00301164/step, 2.95593 hours remaining, 205.550781 MB of memory in use. ENERGY: 1466600 767.7018 2075.9860 1982.1664 134.8804 -206393.8122 17840.4264 0.0000 0.0000 34199.6636 -149392.9878 298.6742 -183592.6514 -149298.8270 298.9229 -89.3954 -57.1191 555577.2815 18.0378 18.1385 PRESSURE: 1466800 208.034 81.3776 -68.7622 81.377 77.2513 -46.8826 -68.7627 -46.8822 -55.8905 GPRESSURE: 1466800 264.159 126.983 -118.263 32.8419 70.7898 -48.431 -45.9864 -21.6721 -16.6818 PRESSAVG: 1466800 -12.629 -4.5703 -41.5622 -4.57032 30.1211 13.2658 -41.5621 13.2658 22.5525 GPRESSAVG: 1466800 -11.9879 -4.59106 -43.2936 -4.5304 29.4828 13.0135 -43.2496 14.2049 22.2204 TIMING: 1466800 CPU: 4361.68, 0.0030536/step Wall: 4361.68, 0.0030536/step, 2.99694 hours remaining, 205.550781 MB of memory in use. ENERGY: 1466800 718.3195 2084.6528 1997.2574 101.4280 -206165.1418 17818.6094 0.0000 0.0000 34108.6736 -149336.2011 297.8795 -183444.8747 -149249.1541 298.7735 76.4650 106.0890 556892.6872 13.3482 13.2384 PRESSURE: 1467000 -11.6431 63.023 105.103 63.0213 -338.907 -55.6116 105.102 -55.611 -52.276 GPRESSURE: 1467000 31.4655 61.1553 82.1705 98.7927 -318.996 33.8778 103.396 -76.0242 -10.2526 PRESSAVG: 1467000 -5.95513 15.2205 -79.4899 15.2203 -9.64145 40.8182 -79.4899 40.8182 -30.6436 GPRESSAVG: 1467000 -6.82514 14.9459 -79.3759 15.5176 -9.09466 41.1025 -76.9446 40.5626 -30.2531 TIMING: 1467000 CPU: 4362.28, 0.00301676/step Wall: 4362.28, 0.00301676/step, 2.96061 hours remaining, 205.550781 MB of memory in use. ENERGY: 1467000 701.8332 2098.9631 1949.3914 111.4383 -206270.3988 17757.8895 0.0000 0.0000 34377.9632 -149272.9201 300.2313 -183650.8833 -149175.5337 299.2402 -134.2754 -99.2610 558701.4566 -15.4134 -15.3910 PRESSURE: 1467200 102.168 -29.602 -38.4418 -29.602 380.336 61.9367 -38.4401 61.9381 -176.003 GPRESSURE: 1467200 142.86 -42.684 -25.1367 -77.9956 371.262 92.3034 -46.0193 -42.7937 -128.602 PRESSAVG: 1467200 14.1236 -0.649324 15.8404 -0.649244 12.3112 16.9668 15.8405 16.9667 21.9381 GPRESSAVG: 1467200 14.6318 -0.388049 15.6483 -0.76754 12.647 18.6977 16.5963 14.5837 21.001 TIMING: 1467200 CPU: 4362.89, 0.00303249/step Wall: 4362.89, 0.00303249/step, 2.97588 hours remaining, 205.550781 MB of memory in use. ENERGY: 1467200 757.0781 2091.6454 1969.2897 122.9608 -206373.0540 17985.8004 0.0000 0.0000 34290.5301 -149155.7496 299.4677 -183446.2797 -149060.8719 299.4325 102.1669 128.5065 558824.8859 16.1243 16.0933 PRESSURE: 1467400 -152.516 172.312 -16.3811 172.314 7.84699 -188.081 -16.3803 -188.079 -24.8514 GPRESSURE: 1467400 -100.934 272.827 23.1506 138.022 38.2539 -160.439 -22.0348 -162.467 -9.79374 PRESSAVG: 1467400 39.9993 -56.3029 -12.2071 -56.3029 -51.4302 -73.5402 -12.2071 -73.5402 -28.498 GPRESSAVG: 1467400 39.6921 -55.2518 -11.9383 -58.0389 -51.5776 -75.1965 -12.478 -70.1113 -27.9703 TIMING: 1467400 CPU: 4363.49, 0.00300288/step Wall: 4363.49, 0.00300288/step, 2.94665 hours remaining, 205.550781 MB of memory in use. ENERGY: 1467400 715.1527 2095.6676 1959.1277 130.4473 -206379.2374 17855.2607 0.0000 0.0000 34250.6435 -149372.9379 299.1194 -183623.5814 -149274.6749 299.2500 -56.5067 -24.1580 557554.4063 -13.3096 -13.2853 PRESSURE: 1467600 -17.2948 92.493 81.9228 92.4939 122.427 -27.3585 81.922 -27.3584 5.09001 GPRESSURE: 1467600 43.8105 79.2337 84.8973 -33.8084 126.092 -41.6723 46.8191 -70.7199 32.3332 PRESSAVG: 1467600 13.7787 41.6931 32.2407 41.693 -21.4511 24.8117 32.2407 24.8118 4.35166 GPRESSAVG: 1467600 14.4384 40.695 31.888 42.7338 -21.1557 26.5716 32.4704 22.0569 3.55255 TIMING: 1467600 CPU: 4364.09, 0.00299119/step Wall: 4364.09, 0.00299119/step, 2.93502 hours remaining, 205.550781 MB of memory in use. ENERGY: 1467600 751.1805 2068.7848 1940.4622 101.6920 -206072.8448 17744.2137 0.0000 0.0000 34279.4796 -149187.0320 299.3712 -183466.5116 -149091.6271 299.0662 36.7408 67.4119 556503.7202 -1.1069 -1.0549 PRESSURE: 1467800 57.7664 120.079 -1.7545 120.08 -16.0316 102.707 -1.75435 102.707 -194.301 GPRESSURE: 1467800 65.5071 80.6503 -1.88385 204.638 6.81194 178.597 92.4866 98.8645 -128.995 PRESSAVG: 1467800 -32.6216 -17.6788 24.2987 -17.6788 10.3393 20.204 24.2986 20.2041 47.2861 GPRESSAVG: 1467800 -32.3809 -16.9969 23.9078 -17.2822 9.60118 20.141 24.0986 21.1205 48.3554 TIMING: 1467800 CPU: 4364.68, 0.00298603/step Wall: 4364.68, 0.00298603/step, 2.9298 hours remaining, 205.550781 MB of memory in use. ENERGY: 1467800 747.4207 2058.4742 1973.6118 119.8178 -205870.0937 17792.3051 0.0000 0.0000 34045.6882 -149132.7760 297.3295 -183178.4642 -149034.1577 299.1466 -50.8555 -18.8921 557047.0194 8.3346 8.5252 PRESSURE: 1468000 292.864 132.337 -15.6107 132.337 -7.52617 -17.5659 -15.6104 -17.5665 87.3652 GPRESSURE: 1468000 317.108 184.342 17.6417 84.5851 -13.7122 101.276 -10.6506 -83.0449 155.891 PRESSAVG: 1468000 -15.2777 41.1262 1.45786 41.1263 -30.6297 44.9622 1.45779 44.9621 5.83492 GPRESSAVG: 1468000 -14.8355 41.0859 1.07652 42.0057 -31.675 43.8115 2.82006 43.8734 5.77562 TIMING: 1468000 CPU: 4365.28, 0.00299758/step Wall: 4365.28, 0.00299758/step, 2.94096 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: 1468000 722.7704 2088.6230 1944.8007 119.5454 -206095.9999 17925.2505 0.0000 0.0000 34212.3144 -149082.6955 298.7847 -183295.0100 -148994.1075 298.6815 124.2342 153.0957 557869.9091 -13.3575 -13.5783 PRESSURE: 1468200 -181.489 -15.6032 -93.9128 -15.603 -192.952 22.2225 -93.9141 22.2216 -1.15369 GPRESSURE: 1468200 -137.124 -11.1864 -53.4683 -72.4642 -207.267 -56.465 33.9289 55.9689 69.0361 PRESSAVG: 1468200 -9.05803 -2.38199 -12.5166 -2.38206 -6.7034 -20.2056 -12.5167 -20.2056 23.3796 GPRESSAVG: 1468200 -9.54159 -3.2638 -12.895 -4.2575 -4.73898 -22.3669 -14.2345 -17.4348 22.4338 TIMING: 1468200 CPU: 4365.88, 0.00298684/step Wall: 4365.88, 0.00298684/step, 2.93026 hours remaining, 205.550781 MB of memory in use. ENERGY: 1468200 745.4647 2150.1810 1927.3658 112.9835 -205840.4685 17611.5947 0.0000 0.0000 34192.1223 -149100.7566 298.6083 -183292.8789 -148994.9666 299.6652 -125.1983 -91.7849 558226.5291 2.5394 2.7178 LDB: ============= START OF LOAD BALANCING ============== 4369.31 LDB: ============== END OF LOAD BALANCING =============== 4369.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4369.31 LDB: ============= START OF LOAD BALANCING ============== 4369.61 LDB: Largest compute 4847 load 0.027006 is 22.9% of average load 0.118021 LDB: Average compute 0.001715 is 1.5% of average load 0.118021 LDB: TIME 4369.61 LOAD: AVG 0.118021 MAX 0.201532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 4369.61 LOAD: AVG 0.118021 MAX 0.201532 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 4369.61 LOAD: AVG 0.118021 MAX 0.201532 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 4369.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4369.62 PRESSURE: 1468400 -4.37281 -10.2184 8.1878 -10.2183 -65.6868 222.589 8.18833 222.589 -87.6531 GPRESSURE: 1468400 93.7414 -30.906 -29.357 -29.4599 -89.3659 129.03 16 229.2 -62.1782 PRESSAVG: 1468400 -1.08478 -14.5335 -2.43074 -14.5335 -4.44468 -50.8759 -2.43073 -50.8759 38.8469 GPRESSAVG: 1468400 -2.77954 -13.8365 -1.77377 -14.642 -3.97047 -48.5421 -2.03314 -52.4141 40.0679 TIMING: 1468400 CPU: 4366.49, 0.00305482/step Wall: 4366.49, 0.00305482/step, 2.99677 hours remaining, 206.710938 MB of memory in use. ENERGY: 1468400 725.1505 2086.8502 1973.9667 103.5331 -205649.9847 17608.9764 0.0000 0.0000 34105.1857 -149046.3220 297.8491 -183151.5077 -148956.8025 299.1474 -52.5709 -19.2675 558122.2603 11.1058 11.1060 PRESSURE: 1468600 -185.739 -133.689 81.6372 -133.689 -241.763 -152.891 81.6374 -152.892 277.111 GPRESSURE: 1468600 -126.583 -64.5543 140.894 -82.116 -221.108 -67.8617 81.3907 -122.997 294.23 PRESSAVG: 1468600 -34.3111 -59.9687 13.5795 -59.9687 33.6418 -19.4776 13.5795 -19.4777 8.92834 GPRESSAVG: 1468600 -32.5847 -59.5904 14.8926 -58.6232 32.9566 -19.6198 12.1838 -19.4835 7.74159 TIMING: 1468600 CPU: 4367.09, 0.00299665/step Wall: 4367.09, 0.00299665/step, 2.93955 hours remaining, 206.710938 MB of memory in use. ENERGY: 1468600 752.2794 2036.0258 1982.8202 117.5549 -205888.7055 17683.0599 0.0000 0.0000 34253.2198 -149063.7455 299.1419 -183316.9653 -148967.6267 299.2087 -50.1303 -17.8204 557478.7199 2.7530 2.7045 PRESSURE: 1468800 -138.288 5.46079 -50.7965 5.46191 -68.8958 125.694 -50.7971 125.694 -1.44664 GPRESSURE: 1468800 -105.536 49.4012 -54.8128 -123.815 -14.8334 118.794 -94.4721 73.2386 12.582 PRESSAVG: 1468800 -48.8663 15.2143 -11.8742 15.2143 -16.7819 -81.2752 -11.8743 -81.2752 45.9165 GPRESSAVG: 1468800 -50.2989 13.9992 -13.2171 13.5851 -17.2764 -81.8029 -9.9513 -81.4937 48.0526 TIMING: 1468800 CPU: 4367.69, 0.00301114/step Wall: 4367.69, 0.00301114/step, 2.9536 hours remaining, 206.710938 MB of memory in use. ENERGY: 1468800 741.6648 2122.8476 1960.1016 106.1926 -205741.9319 17537.4712 0.0000 0.0000 34181.4935 -149092.1606 298.5155 -183273.6541 -149002.9391 299.2339 -69.5433 -35.9293 557153.7983 -6.5772 -6.5076 PRESSURE: 1469000 -85.8555 -4.01387 -66.6617 -4.01269 114.6 65.7846 -66.6615 65.7857 -145.336 GPRESSURE: 1469000 -85.6012 -23.1604 -42.7227 -2.80928 120.056 31.1161 -15.2972 136.456 -43.4227 PRESSAVG: 1469000 -2.21563 -64.1721 42.2983 -64.172 59.1912 -42.494 42.2984 -42.4941 -19.4734 GPRESSAVG: 1469000 -0.828614 -63.6183 42.9907 -63.1368 58.2481 -40.2968 39.2883 -43.594 -20.3101 TIMING: 1469000 CPU: 4368.29, 0.00299585/step Wall: 4368.29, 0.00299585/step, 2.93843 hours remaining, 206.710938 MB of memory in use. ENERGY: 1469000 720.5550 2084.4708 1945.4923 113.4226 -206127.8052 17795.3074 0.0000 0.0000 34268.8234 -149199.7337 299.2782 -183468.5572 -149099.5447 299.3543 -38.8636 -2.9892 557571.0149 12.5007 12.3698 PRESSURE: 1469200 103.735 -63.553 -73.0758 -63.5522 -199.095 -83.6381 -73.0764 -83.6376 -125.174 GPRESSURE: 1469200 88.6797 -35.1355 -61.7237 -27.4595 -160.377 -149.267 -100.259 -58.7326 -66.7054 PRESSAVG: 1469200 26.4692 18.3755 41.47 18.3755 -32.399 -10.7007 41.4701 -10.7007 0.754166 GPRESSAVG: 1469200 25.704 19.6677 42.0904 18.4975 -31.3957 -11.929 42.1555 -9.23546 1.23526 TIMING: 1469200 CPU: 4368.89, 0.00298318/step Wall: 4368.89, 0.00298318/step, 2.92584 hours remaining, 206.710938 MB of memory in use. ENERGY: 1469200 707.3781 2092.6336 1954.3599 114.8841 -205816.2054 17567.7379 0.0000 0.0000 34217.4985 -149161.7133 298.8299 -183379.2118 -149071.5668 299.8030 -73.5114 -46.1342 558033.9981 -1.7252 -1.4855 PRESSURE: 1469400 -161.385 73.4631 83.2091 73.4641 -67.7431 79.8975 83.2089 79.8961 -29.0476 GPRESSURE: 1469400 -54.7421 49.6941 103.383 42.6753 -16.9001 24.5787 80.9788 18.9781 -96.1263 PRESSAVG: 1469400 -49.219 9.50472 -7.0392 9.5049 24.4135 0.599651 -7.03919 0.599788 21.7747 GPRESSAVG: 1469400 -49.4129 6.13341 -7.31719 10.5994 24.7388 -0.665321 -6.09574 -1.6973 21.1292 TIMING: 1469400 CPU: 4369.48, 0.00297277/step Wall: 4369.48, 0.00297277/step, 2.91546 hours remaining, 206.710938 MB of memory in use. ENERGY: 1469400 722.2793 2048.6660 1949.0574 115.2625 -206362.1060 17803.3539 0.0000 0.0000 34340.8809 -149382.6060 299.9075 -183723.4869 -149282.4348 298.6282 -86.0584 -55.9229 557319.6456 -1.0102 -1.1816 PRESSURE: 1469600 80.3783 -150.038 -41.498 -150.038 312.409 -74.575 -41.4987 -74.5728 317.523 GPRESSURE: 1469600 120.743 -99.4864 -93.3545 -120.688 324.334 -52.3573 29.0778 -24.679 358.94 PRESSAVG: 1469600 -39.489 -10.6074 -36.9716 -10.6074 71.8319 8.27866 -36.9717 8.2787 -17.3516 GPRESSAVG: 1469600 -39.7254 -9.94948 -37.285 -8.43107 70.8766 9.7788 -38.9907 10.3492 -16.0506 TIMING: 1469600 CPU: 4370.08, 0.00297325/step Wall: 4370.08, 0.00297325/step, 2.91577 hours remaining, 206.710938 MB of memory in use. ENERGY: 1469600 732.3439 2075.6684 1946.9901 106.1938 -206435.9530 18243.8175 0.0000 0.0000 34150.9934 -149179.9459 298.2491 -183330.9393 -149088.9374 299.1790 236.7701 268.0058 557070.8883 4.9971 5.0335 PRESSURE: 1469800 -107.38 -78.5447 79.524 -78.5444 -354.869 121.917 79.5237 121.916 -10.4036 GPRESSURE: 1469800 -89.5954 -61.9216 21.4159 -105.822 -325.889 127.026 90.5369 121.905 51.6141 PRESSAVG: 1469800 -21.9795 -21.8884 -35.9845 -21.8884 19.6913 13.8928 -35.9845 13.8928 -21.5491 GPRESSAVG: 1469800 -22.464 -20.5501 -38.0594 -24.3769 20.2806 12.4311 -34.0626 14.2481 -22.358 TIMING: 1469800 CPU: 4370.67, 0.00298643/step Wall: 4370.67, 0.00298643/step, 2.92852 hours remaining, 206.710938 MB of memory in use. ENERGY: 1469800 729.7326 2087.3870 1934.1658 108.0810 -206283.0624 17833.8072 0.0000 0.0000 34310.1445 -149279.7443 299.6390 -183589.8888 -149180.7362 299.3006 -157.5506 -121.2902 558824.6509 -7.9458 -8.1805 PRESSURE: 1470000 121.124 -80.526 -90.3353 -80.5247 190.049 -5.0799 -90.3335 -5.07975 -143.66 GPRESSURE: 1470000 193.957 -108.712 -224.41 -133.318 239.26 40.1129 -28.3366 -78.72 -171.307 PRESSAVG: 1470000 2.13547 -19.0961 18.2931 -19.0962 9.11085 -17.788 18.293 -17.7879 -9.16023 GPRESSAVG: 1470000 2.63169 -18.8958 18.7963 -17.7947 9.7247 -16.9368 18.771 -18.4403 -10.3473 TIMING: 1470000 CPU: 4371.27, 0.00299693/step Wall: 4371.27, 0.00299693/step, 2.93866 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: 1470000 733.4907 2086.5591 1936.3230 126.7611 -206622.4707 17913.5342 0.0000 0.0000 34466.5210 -149359.2816 301.0047 -183825.8026 -149253.7758 299.0771 55.8377 87.3034 557492.3558 0.6954 0.6697 PRESSURE: 1470200 43.9199 69.1479 -42.2658 69.1474 69.5857 14.4482 -42.2676 14.4493 -236.206 GPRESSURE: 1470200 42.2235 -30.3967 -125.58 91.6043 164.768 -9.66058 -25.5717 -21.2574 -231.863 PRESSAVG: 1470200 87.6444 18.6122 -20.4514 18.6122 11.8211 33.2138 -20.4515 33.2137 -102.866 GPRESSAVG: 1470200 88.0881 18.6355 -20.9254 17.6812 10.2833 32.504 -19.0063 34.7057 -101.72 TIMING: 1470200 CPU: 4371.87, 0.00298826/step Wall: 4371.87, 0.00298826/step, 2.92999 hours remaining, 206.710938 MB of memory in use. ENERGY: 1470200 720.0365 2157.2227 1953.3426 116.6700 -206067.1910 17699.9565 0.0000 0.0000 34141.8424 -149278.1203 298.1692 -183419.9627 -149180.3562 299.2763 -40.9001 -8.2904 559094.4597 -1.1334 -1.1163 PRESSURE: 1470400 -69.0429 88.1499 -89.2955 88.1491 164.465 -52.7805 -89.2966 -52.7796 231.665 GPRESSURE: 1470400 -17.2813 70.8963 4.69849 67.3248 185.881 -32.5386 -99.2546 -48.4677 257.627 PRESSAVG: 1470400 16.7403 -1.80643 -22.9155 -1.80642 46.932 -18.6262 -22.9155 -18.6261 -36.09 GPRESSAVG: 1470400 16.0217 -2.21712 -21.9417 -0.406213 47.7036 -17.7064 -23.275 -19.9321 -36.3767 TIMING: 1470400 CPU: 4372.47, 0.00299651/step Wall: 4372.47, 0.00299651/step, 2.93791 hours remaining, 206.710938 MB of memory in use. ENERGY: 1470400 708.0647 2159.2143 1946.7209 117.6510 -206382.8216 17875.5736 0.0000 0.0000 34256.0476 -149319.5496 299.1666 -183575.5971 -149224.3538 299.4729 109.0291 142.0756 558398.2348 9.1941 9.1162 PRESSURE: 1470600 -68.4645 28.0598 83.8286 28.0597 -18.2244 -187.542 83.8291 -187.541 -234.38 GPRESSURE: 1470600 -30.5003 56.6872 4.88465 -25.9637 6.63405 -199.529 148.65 -168.246 -183.064 PRESSAVG: 1470600 -43.0629 22.4637 -51.9606 22.4637 14.9784 -19.1279 -51.9606 -19.1278 19.5881 GPRESSAVG: 1470600 -43.8684 23.0365 -51.8178 20.8369 15.1585 -18.6992 -53.0058 -20.7723 20.2747 TIMING: 1470600 CPU: 4373.07, 0.0029886/step Wall: 4373.07, 0.0029886/step, 2.92999 hours remaining, 206.710938 MB of memory in use. ENERGY: 1470600 743.7322 2080.1650 1950.7573 106.7809 -205866.8849 17590.9563 0.0000 0.0000 34132.5989 -149261.8944 298.0885 -183394.4933 -149165.2935 298.4520 -107.0229 -68.9766 557881.6221 -2.8322 -2.8117 PRESSURE: 1470800 -80.3523 -21.0914 -82.5711 -21.0915 87.9533 112.087 -82.5708 112.086 -465.005 GPRESSURE: 1470800 -104.645 -26.9239 -14.3657 -63.8444 148.529 207.924 -42.4016 60.8841 -402.07 PRESSAVG: 1470800 -4.30011 -2.11947 -31.451 -2.11951 -0.607587 23.7902 -31.451 23.7903 -12.3928 GPRESSAVG: 1470800 -4.25322 -1.07203 -31.3372 -2.72017 -1.19444 23.5503 -30.7089 25.6953 -12.1383 TIMING: 1470800 CPU: 4373.66, 0.00296344/step Wall: 4373.66, 0.00296344/step, 2.90516 hours remaining, 206.710938 MB of memory in use. ENERGY: 1470800 769.3934 2116.5112 1955.1172 102.8176 -205781.8804 17626.1378 0.0000 0.0000 33994.6521 -149217.2511 296.8838 -183211.9033 -149115.4155 298.2769 -152.4680 -119.3954 558319.5272 -5.7668 -5.8620 PRESSURE: 1471000 117.651 -120.707 9.86434 -120.708 -194.949 -53.4734 9.86392 -53.4737 188.236 GPRESSURE: 1471000 172.514 -173.082 -24.672 -88.5774 -154.515 -91.2564 -30.3295 -6.69544 186.186 PRESSAVG: 1471000 -23.1589 -3.33567 -36.7799 -3.33567 26.0229 10.9758 -36.7799 10.9758 16.5652 GPRESSAVG: 1471000 -22.772 -1.86707 -36.5808 -3.12629 26.814 10.0042 -37.0654 11.5096 15.3886 TIMING: 1471000 CPU: 4374.26, 0.00297448/step Wall: 4374.26, 0.00297447/step, 2.91581 hours remaining, 206.710938 MB of memory in use. ENERGY: 1471000 744.1934 2085.4292 1956.8661 102.9171 -206142.4590 17885.1346 0.0000 0.0000 34254.1947 -149113.7240 299.1504 -183367.9187 -149019.2925 299.1542 36.9792 68.0616 557380.3959 6.4764 6.4768 PRESSURE: 1471200 85.5175 125.019 170.592 125.019 21.6146 32.7095 170.593 32.7087 74.4613 GPRESSURE: 1471200 129.329 127.093 175.868 165.604 87.4365 26.6739 98.2385 30.5484 56.8492 PRESSAVG: 1471200 44.2013 -34.1906 -48.8119 -34.1907 -20.3109 53.7022 -48.8119 53.7021 -23.8146 GPRESSAVG: 1471200 43.9811 -36.5207 -48.396 -35.5559 -19.8613 52.6501 -49.6534 54.1827 -24.1432 TIMING: 1471200 CPU: 4374.86, 0.0030133/step Wall: 4374.86, 0.0030133/step, 2.95371 hours remaining, 206.710938 MB of memory in use. ENERGY: 1471200 741.1621 2097.8364 1969.6234 111.5129 -206303.3454 17822.8107 0.0000 0.0000 34349.3371 -149211.0629 299.9813 -183560.4000 -149118.8801 299.7275 60.5311 91.2050 556834.8075 0.0253 -0.0078 PRESSURE: 1471400 -314.595 -145.224 94.6408 -145.224 -20.9428 -21.1999 94.641 -21.1993 -100.527 GPRESSURE: 1471400 -256.083 -142.203 51.9853 -127.79 35.7214 12.9733 93.2256 5.21599 -125.906 PRESSAVG: 1471400 -66.4282 -25.9403 24.6083 -25.9402 16.3414 -26.1751 24.6083 -26.1751 48.3311 GPRESSAVG: 1471400 -65.2305 -26.8562 23.0017 -23.9542 14.7063 -24.494 27.3817 -26.1452 48.5203 TIMING: 1471400 CPU: 4375.45, 0.00297733/step Wall: 4375.45, 0.00297733/step, 2.91828 hours remaining, 206.710938 MB of memory in use. ENERGY: 1471400 766.8070 2091.4442 1972.9345 115.4659 -206458.7261 17850.8589 0.0000 0.0000 34116.3181 -149544.8974 297.9463 -183661.2155 -149452.9542 299.3815 -145.3548 -115.4225 558372.3160 -0.5852 -0.6680 PRESSURE: 1471600 -197.125 128.02 -60.0425 128.02 -102.317 15.0511 -60.0416 15.0517 -82.972 GPRESSURE: 1471600 -149.027 179.235 -40.2668 -2.25923 -87.8766 91.2193 -92.8118 -98.7756 -62.6137 PRESSAVG: 1471600 2.78285 10.3419 -43.271 10.3418 36.5655 50.6126 -43.271 50.6125 -36.8212 GPRESSAVG: 1471600 1.96192 11.1999 -42.1878 9.48047 37.1319 52.1728 -44.0236 49.4161 -36.513 TIMING: 1471600 CPU: 4376.06, 0.0030259/step Wall: 4376.06, 0.0030259/step, 2.96571 hours remaining, 206.710938 MB of memory in use. ENERGY: 1471600 746.8330 2075.6974 1969.8022 111.8607 -206165.7760 17558.3595 0.0000 0.0000 34295.2598 -149407.9633 299.5090 -183703.2232 -149315.4462 298.1996 -127.4714 -99.8392 555966.0431 0.8424 0.8603 PRESSURE: 1471800 -254.924 -18.1812 15.7532 -18.1809 -255.557 -120.741 15.7536 -120.74 -138.428 GPRESSURE: 1471800 -210.263 5.26234 -58.8313 -9.67456 -271.601 -115.388 -3.76321 -84.6043 -69.5991 PRESSAVG: 1471800 -49.822 1.62904 -59.5877 1.62898 24.7333 13.5638 -59.5875 13.564 14.1879 GPRESSAVG: 1471800 -51.0276 2.00739 -60.2391 2.81666 24.3419 11.4828 -60.6425 14.1089 15.3767 TIMING: 1471800 CPU: 4376.67, 0.00302885/step Wall: 4376.67, 0.00302885/step, 2.96844 hours remaining, 206.710938 MB of memory in use. ENERGY: 1471800 752.3951 2049.4326 1950.0732 110.9873 -205853.0327 17577.2430 0.0000 0.0000 34061.2055 -149351.6960 297.4650 -183412.9015 -149252.4235 298.6296 -216.3028 -183.8209 557813.7171 -3.6336 -3.7697 PRESSURE: 1472000 -68.6991 -23.8173 -68.5176 -23.8166 44.0679 -82.928 -68.5165 -82.9294 -36.7295 GPRESSURE: 1472000 -9.91785 0.0519296 -177.853 -30.1955 77.2375 -86.0313 -19.7292 -131.869 -36.933 PRESSAVG: 1472000 -7.21284 -30.1519 -45.2872 -30.1519 -42.0645 6.79293 -45.2873 6.79282 -2.72282 GPRESSAVG: 1472000 -4.80962 -28.6011 -45.7792 -31.4572 -42.8162 7.5976 -43.9179 7.85695 -4.4485 TIMING: 1472000 CPU: 4377.26, 0.00297736/step Wall: 4377.26, 0.00297736/step, 2.91781 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: 1472000 710.6065 2077.5586 1908.9310 123.6759 -206316.1910 17715.6752 0.0000 0.0000 34394.5765 -149385.1672 300.3764 -183779.7437 -149287.3092 298.6039 -20.4536 10.1289 556794.7604 -17.3334 -17.3581 PRESSURE: 1472200 2.46862 -99.3025 -241.778 -99.3019 87.439 -65.3561 -241.78 -65.3559 -26.5482 GPRESSURE: 1472200 42.8512 -40.1374 -235.81 -50.3111 151.887 -41.4606 -155.562 -36.0709 -34.7561 PRESSAVG: 1472200 4.17143 -50.5693 5.58566 -50.5693 -4.67141 12.9615 5.58556 12.9614 44.7784 GPRESSAVG: 1472200 2.60891 -51.3644 8.25874 -50.2749 -4.12572 15.3352 3.05205 11.4562 45.4756 TIMING: 1472200 CPU: 4377.86, 0.00297339/step Wall: 4377.86, 0.00297339/step, 2.91376 hours remaining, 206.710938 MB of memory in use. ENERGY: 1472200 738.5917 2068.3080 1940.6681 108.4629 -206512.0425 17936.9362 0.0000 0.0000 34384.9861 -149334.0895 300.2926 -183719.0756 -149229.1254 299.1918 21.1198 53.3274 556181.1400 14.7595 14.6529 LDB: ============= START OF LOAD BALANCING ============== 4381.28 LDB: ============== END OF LOAD BALANCING =============== 4381.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4381.29 LDB: ============= START OF LOAD BALANCING ============== 4381.58 LDB: Largest compute 4847 load 0.026378 is 22.3% of average load 0.118042 LDB: Average compute 0.001721 is 1.5% of average load 0.118042 LDB: TIME 4381.59 LOAD: AVG 0.118042 MAX 0.203886 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 4381.59 LOAD: AVG 0.118042 MAX 0.203886 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.578 MB LDB: TIME 4381.59 LOAD: AVG 0.118042 MAX 0.203886 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4381.59 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4381.59 PRESSURE: 1472400 -35.7896 75.5154 73.4802 75.5163 -97.7683 14.4014 73.4812 14.4023 162.963 GPRESSURE: 1472400 41.2989 101.777 120.486 83.9478 -77.9113 -38.3692 108.739 -32.2469 159.305 PRESSAVG: 1472400 -9.61521 -15.0022 -30.3214 -15.0021 -13.8035 -29.3655 -30.3213 -29.3656 -12.5292 GPRESSAVG: 1472400 -8.83742 -14.5046 -32.1248 -16.5506 -13.9153 -31.031 -28.8764 -30.2757 -13.2161 TIMING: 1472400 CPU: 4378.46, 0.00303621/step Wall: 4378.46, 0.00303621/step, 2.97515 hours remaining, 205.023438 MB of memory in use. ENERGY: 1472400 717.7101 2096.5842 1949.9905 110.2443 -206317.3262 17781.2811 0.0000 0.0000 34494.6516 -149166.8644 301.2504 -183661.5160 -149069.5358 299.0075 9.8019 40.8976 558284.1885 -11.9827 -11.9896 PRESSURE: 1472600 233.56 -88.8206 -67.968 -88.8204 274.285 -66.485 -67.9675 -66.4858 47.521 GPRESSURE: 1472600 323.668 -66.7299 -111.986 -76.0405 283.031 -44.297 45.58 -27.8619 42.6391 PRESSAVG: 1472600 -74.722 22.2286 11.2678 22.2286 61.694 39.1499 11.2678 39.15 -2.89167 GPRESSAVG: 1472600 -75.3081 19.1203 10.3042 25.6316 61.9001 39.1366 13.7635 39.235 -2.5817 TIMING: 1472600 CPU: 4379.06, 0.00298569/step Wall: 4379.06, 0.00298569/step, 2.92548 hours remaining, 205.023438 MB of memory in use. ENERGY: 1472600 702.8794 2080.7891 1935.4095 120.4389 -206305.9962 17967.9588 0.0000 0.0000 34259.2984 -149239.2220 299.1950 -183498.5204 -149147.1415 298.6150 185.1219 216.4459 557743.0999 -5.3066 -5.3299 PRESSURE: 1472800 111.203 43.5868 -162.447 43.5865 81.3543 82.8455 -162.448 82.8475 -306.54 GPRESSURE: 1472800 101.45 30.4108 -172.978 -30.8504 143.396 65.7419 -199.608 48.6955 -268.376 PRESSAVG: 1472800 10.4895 11.2105 -9.9035 11.2105 -55.5247 71.4599 -9.9035 71.46 67.4923 GPRESSAVG: 1472800 9.17391 13.754 -6.66166 9.83758 -54.3431 72.1061 -13.485 70.1487 67.6746 TIMING: 1472800 CPU: 4379.66, 0.00300154/step Wall: 4379.66, 0.00300154/step, 2.94084 hours remaining, 205.023438 MB of memory in use. ENERGY: 1472800 738.8925 2104.8637 1948.5547 125.3824 -205917.4936 17567.2094 0.0000 0.0000 34164.6692 -149267.9216 298.3686 -183432.5908 -149177.6637 298.4391 -37.9944 -7.8432 557567.7555 7.4857 7.5018 PRESSURE: 1473000 -171.998 -144.138 38.745 -144.136 9.1465 -47.1507 38.7464 -47.1511 -29.8829 GPRESSURE: 1473000 -184.789 -103.482 82.2324 -124.638 64.8523 -95.7391 52.3629 -29.9178 31.2005 PRESSAVG: 1473000 51.3187 -0.0798831 -9.45002 -0.0798982 9.80157 11.2837 -9.45003 11.2837 -32.1167 GPRESSAVG: 1473000 52.5684 -0.687141 -10.5607 -0.442154 9.04369 10.8228 -7.95578 12.7735 -32.3558 TIMING: 1473000 CPU: 4380.26, 0.00300907/step Wall: 4380.26, 0.00300907/step, 2.94805 hours remaining, 205.023438 MB of memory in use. ENERGY: 1473000 760.9822 2063.0015 1952.2691 108.1904 -206239.9543 17818.7790 0.0000 0.0000 34175.1635 -149361.5686 298.4602 -183536.7321 -149260.3758 298.7325 -64.2447 -29.5787 558108.4803 9.6679 9.7521 PRESSURE: 1473200 -150.197 14.8296 -20.6181 14.8297 -25.2481 -69.5846 -20.6177 -69.5842 -185.991 GPRESSURE: 1473200 -75.2661 38.6502 -48.7268 -99.9089 -21.1101 -84.5832 -22.4173 -60.3906 -165.891 PRESSAVG: 1473200 -41.2522 -2.28588 -34.2671 -2.28586 23.1552 20.9401 -34.2671 20.9401 -47.2472 GPRESSAVG: 1473200 -40.8251 -3.12565 -35.0665 -1.63976 23.4185 20.4334 -33.1344 20.6901 -48.124 TIMING: 1473200 CPU: 4380.86, 0.00298325/step Wall: 4380.86, 0.00298325/step, 2.92259 hours remaining, 205.023438 MB of memory in use. ENERGY: 1473200 750.3732 2150.6763 1951.4472 102.7968 -206447.1064 17779.5065 0.0000 0.0000 34316.5775 -149395.7289 299.6952 -183712.3063 -149296.7443 298.4719 -120.4789 -87.4223 558618.2501 -21.7814 -21.8436 PRESSURE: 1473400 -236.518 -81.0368 -87.583 -81.0372 -311.743 -87.344 -87.5843 -87.3458 -155.033 GPRESSURE: 1473400 -259.952 -208.788 -140.408 -49.5619 -230.875 -19.1017 -83.2901 -134.4 -114.518 PRESSAVG: 1473400 -13.9639 5.49205 -42.5519 5.49215 15.78 5.61611 -42.552 5.61599 -30.454 GPRESSAVG: 1473400 -13.931 7.0221 -42.5904 4.45054 15.3827 6.08514 -43.8938 4.34795 -29.6644 TIMING: 1473400 CPU: 4381.45, 0.00296994/step Wall: 4381.45, 0.00296994/step, 2.90938 hours remaining, 205.023438 MB of memory in use. ENERGY: 1473400 765.8467 2143.9126 1983.1673 107.3186 -206055.7481 17533.9061 0.0000 0.0000 34173.2828 -149348.3139 298.4438 -183521.5967 -149257.8429 298.7732 -234.4310 -201.7820 559009.0140 -9.5460 -9.4042 PRESSURE: 1473600 79.968 -116.507 -167.298 -116.507 -140.98 -99.1748 -167.3 -99.1737 47.7755 GPRESSURE: 1473600 62.2194 -88.9105 -182.097 -139.711 -57.9893 -61.1948 -169.745 -118.156 85.321 PRESSAVG: 1473600 6.0195 -9.22612 -23.9547 -9.22611 -6.81834 -12.0195 -23.9548 -12.0195 44.5091 GPRESSAVG: 1473600 5.65105 -7.87205 -23.5844 -10.4199 -6.53735 -10.6594 -24.5705 -10.553 44.9602 TIMING: 1473600 CPU: 4382.04, 0.00296104/step Wall: 4382.04, 0.00296104/step, 2.90051 hours remaining, 205.023438 MB of memory in use. ENERGY: 1473600 768.4878 2066.5658 1972.4202 124.1781 -206204.6349 17746.2957 0.0000 0.0000 34333.3426 -149193.3448 299.8416 -183526.6873 -149101.3025 298.6514 -4.4122 29.8504 557913.5793 14.5701 14.6913 PRESSURE: 1473800 -191.453 60.5897 -87.9723 60.5885 -3.8671 -187.146 -87.9735 -187.144 -6.41804 GPRESSURE: 1473800 -166.361 -4.65483 -89.5313 87.1126 26.3432 -180.403 -104.266 -171.369 19.0681 PRESSAVG: 1473800 12.5023 -3.79623 -23.642 -3.79626 -53.0832 -41.9097 -23.6421 -41.9098 19.7368 GPRESSAVG: 1473800 13.1408 -7.37191 -23.2053 -1.59053 -52.7267 -43.4782 -21.5139 -41.1833 18.6101 TIMING: 1473800 CPU: 4382.64, 0.00297965/step Wall: 4382.64, 0.00297965/step, 2.91856 hours remaining, 205.023438 MB of memory in use. ENERGY: 1473800 753.3314 2092.7294 1972.9902 105.6375 -206167.5042 17732.5244 0.0000 0.0000 34329.0097 -149181.2816 299.8038 -183510.2914 -149087.7479 298.9013 -67.2459 -40.3166 557051.9903 -6.9480 -6.9920 PRESSURE: 1474000 -133.071 52.714 -109.402 52.7153 -64.8896 -93.9707 -109.403 -93.9716 -51.3955 GPRESSURE: 1474000 -123.555 70.954 -77.6622 62.7475 -61.2631 -0.7846 -49.509 -182.426 37.2038 PRESSAVG: 1474000 -13.9913 4.94998 17.1418 4.94999 -63.3749 7.02052 17.1417 7.02047 101.88 GPRESSAVG: 1474000 -16.074 6.53173 19.0167 4.58704 -62.3042 8.4594 15.8959 5.14572 102.379 TIMING: 1474000 CPU: 4383.24, 0.00297626/step Wall: 4383.24, 0.00297626/step, 2.91509 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: 1474000 740.8194 2058.4142 1945.2690 128.2601 -205564.1205 17526.4143 0.0000 0.0000 34106.1798 -149058.7636 297.8578 -183164.9434 -148956.0106 299.6807 -83.1186 -49.2046 557620.3960 8.1712 8.0004 PRESSURE: 1474200 -395.08 -23.9677 37.2138 -23.9676 41.0595 -143.307 37.2138 -143.306 -103.3 GPRESSURE: 1474200 -331.726 62.4821 40.0468 -72.2733 66.6722 -125.573 -7.45152 -150.867 -94.474 PRESSAVG: 1474200 -81.8771 -8.68115 47.5548 -8.68123 -1.28365 -35.949 47.5549 -35.9489 59.624 GPRESSAVG: 1474200 -79.4987 -8.14788 44.8962 -7.0413 -3.16036 -37.5582 48.7626 -35.2078 59.4688 TIMING: 1474200 CPU: 4383.83, 0.00298847/step Wall: 4383.83, 0.00298847/step, 2.92688 hours remaining, 205.023438 MB of memory in use. ENERGY: 1474200 769.0074 2122.8874 1968.0563 115.3510 -206006.4078 17628.7363 0.0000 0.0000 34266.0648 -149136.3046 299.2541 -183402.3694 -149048.6934 299.9876 -152.4400 -119.8425 557898.9199 -7.8456 -7.7301 PRESSURE: 1474400 3.7192 -68.2715 199.065 -68.272 -113.935 97.2742 199.063 97.2759 -348.272 GPRESSURE: 1474400 101.495 -24.1243 200.168 -135.491 -108.754 70.5375 245.533 67.8782 -358.437 PRESSAVG: 1474400 -17.0336 -11.5467 -10.8843 -11.5467 -5.51331 10.4379 -10.8843 10.4378 42.3095 GPRESSAVG: 1474400 -17.0373 -12.602 -9.40813 -13.3848 -4.58738 9.78963 -9.97926 10.0226 41.8481 TIMING: 1474400 CPU: 4384.43, 0.00297004/step Wall: 4384.43, 0.00297004/step, 2.90866 hours remaining, 205.023438 MB of memory in use. ENERGY: 1474400 762.9011 2064.7770 1964.7957 116.5923 -205553.7001 17413.6331 0.0000 0.0000 34183.0524 -149047.9483 298.5291 -183231.0008 -148955.8388 298.5653 -152.8293 -121.8986 557476.2333 6.5875 6.7411 PRESSURE: 1474600 -10.5603 76.8185 -68.6921 76.8177 -67.5831 22.2147 -68.691 22.2132 -45.44 GPRESSURE: 1474600 -19.8948 84.3876 -149.727 85.0485 10.9716 85.3417 43.6828 -22.5918 -29.7965 PRESSAVG: 1474600 7.14866 4.93074 -15.5229 4.93074 -4.35615 -66.3154 -15.5229 -66.3155 26.9372 GPRESSAVG: 1474600 6.50146 7.02739 -16.1283 3.48583 -4.64558 -63.3962 -15.1937 -67.3211 27.9147 TIMING: 1474600 CPU: 4385.02, 0.00297057/step Wall: 4385.02, 0.00297057/step, 2.90902 hours remaining, 205.023438 MB of memory in use. ENERGY: 1474600 768.1338 2127.7442 1936.3090 119.2050 -206134.3770 17761.6194 0.0000 0.0000 34268.5875 -149152.7780 299.2761 -183421.3655 -149052.3383 299.0736 -41.1945 -12.9066 557933.8642 9.9099 9.9235 PRESSURE: 1474800 141.483 205.547 48.2125 205.548 -163.447 66.762 48.2122 66.762 -31.8822 GPRESSURE: 1474800 163.581 87.6938 28.6873 279.59 -140.204 61.0707 20.6359 31.4363 8.09979 PRESSAVG: 1474800 6.45565 -8.30195 21.7395 -8.30199 -25.9259 -54.6709 21.7394 -54.6709 67.6652 GPRESSAVG: 1474800 6.35791 -9.09486 22.0597 -7.11819 -25.2253 -55.7363 20.1781 -53.782 67.6522 TIMING: 1474800 CPU: 4385.62, 0.00296511/step Wall: 4385.62, 0.00296511/step, 2.90351 hours remaining, 205.023438 MB of memory in use. ENERGY: 1474800 756.0089 2132.2036 1944.8371 111.0722 -205888.7085 17719.9948 0.0000 0.0000 34037.6733 -149186.9187 297.2595 -183224.5921 -149091.0239 298.9815 -17.9487 10.4920 558343.2431 16.0650 16.2616 PRESSURE: 1475000 -73.8821 3.87731 115.257 3.87871 62.3123 107.641 115.255 107.64 17.2333 GPRESSURE: 1475000 -54.9022 -68.6216 3.6372 73.9505 89.2018 100.038 126.671 90.8195 66.7771 PRESSAVG: 1475000 47.2269 25.9488 -5.35456 25.9488 3.4574 -26.4306 -5.35464 -26.4307 -26.1131 GPRESSAVG: 1475000 47.2492 25.7731 -4.03208 26.3189 3.60101 -26.6972 -5.37877 -24.0111 -25.6087 TIMING: 1475000 CPU: 4386.21, 0.00298357/step Wall: 4386.21, 0.00298357/step, 2.92141 hours remaining, 205.023438 MB of memory in use. ENERGY: 1475000 780.6737 2051.2214 1946.7221 122.0988 -206312.1852 17883.9720 0.0000 0.0000 34337.6798 -149189.8174 299.8795 -183527.4972 -149095.0995 299.5166 1.8879 33.6922 559275.1675 8.1904 8.4138 PRESSURE: 1475200 -223.785 -90.8571 5.2493 -90.8563 -139.972 -7.73766 5.24823 -7.73842 -180.635 GPRESSURE: 1475200 -154.103 -36.7543 -60.6557 -111.249 -146.112 40.1132 62.0882 -16.4806 -142.798 PRESSAVG: 1475200 36.6496 24.7394 12.8173 24.7394 -36.8729 17.8005 12.8174 17.8005 -14.2785 GPRESSAVG: 1475200 36.5615 25.1022 11.3084 25.1213 -36.7031 16.2347 13.6935 16.3871 -14.6398 TIMING: 1475200 CPU: 4386.81, 0.00296702/step Wall: 4386.81, 0.00296702/step, 2.90504 hours remaining, 205.023438 MB of memory in use. ENERGY: 1475200 741.0833 2093.7466 1947.8966 135.9838 -206283.7108 17914.5154 0.0000 0.0000 34171.1331 -149279.3520 298.4250 -183450.4851 -149179.5376 298.1207 -181.4639 -147.6711 559974.9832 -4.8339 -4.9271 PRESSURE: 1475400 72.9783 -54.6704 -23.6657 -54.6711 -283.866 14.6149 -23.6657 14.6148 109.372 GPRESSURE: 1475400 133.416 -70.5082 -9.21944 -21.1829 -280.197 18.8284 37.8024 -1.28924 140.526 PRESSAVG: 1475400 -16.3497 17.488 6.99646 17.488 34.0448 -19.7262 6.9965 -19.7262 19.029 GPRESSAVG: 1475400 -14.6052 17.4389 8.38173 17.799 33.6669 -20.0557 7.30549 -18.6928 17.8935 TIMING: 1475400 CPU: 4387.4, 0.00297685/step Wall: 4387.4, 0.00297685/step, 2.91451 hours remaining, 205.023438 MB of memory in use. ENERGY: 1475400 724.7502 2073.6699 1971.2199 118.3970 -206244.9582 17781.0017 0.0000 0.0000 34284.0687 -149291.8508 299.4113 -183575.9195 -149205.3515 298.8857 -33.8386 -2.0851 557163.1289 12.2414 12.3184 PRESSURE: 1475600 -207.704 66.4788 150.778 66.4777 -10.7058 -52.1181 150.777 -52.1176 -161.167 GPRESSURE: 1475600 -194.336 41.7605 70.9171 141.525 -2.10034 8.72147 153.122 -86.9194 -74.4499 PRESSAVG: 1475600 4.18055 36.5723 43.4957 36.5724 22.781 -54.5492 43.4957 -54.5491 -5.5003 GPRESSAVG: 1475600 2.40222 35.6666 40.9975 35.3144 22.5745 -51.9139 43.802 -56.5426 -3.71713 TIMING: 1475600 CPU: 4388, 0.00297531/step Wall: 4388, 0.00297531/step, 2.91283 hours remaining, 205.023438 MB of memory in use. ENERGY: 1475600 712.8887 2088.3238 1965.4385 113.1593 -205850.3757 17549.7002 0.0000 0.0000 34113.2009 -149307.6642 297.9191 -183420.8651 -149205.8085 298.4639 -126.5258 -90.2955 558596.3662 7.1537 7.0865 PRESSURE: 1475800 89.5633 88.3492 66.7282 88.3496 74.4806 69.9219 66.7278 69.9232 -107.748 GPRESSURE: 1475800 80.7827 64.6605 113.719 74.9267 101.925 37.8867 100.37 105.254 -25.1769 PRESSAVG: 1475800 -3.45842 44.609 32.6998 44.609 30.8543 -10.2595 32.6998 -10.2596 -50.5309 GPRESSAVG: 1475800 -3.98026 46.1327 34.4113 43.668 30.9318 -10.2623 32.9459 -9.53829 -50.4604 TIMING: 1475800 CPU: 4388.59, 0.00295885/step Wall: 4388.59, 0.00295885/step, 2.89655 hours remaining, 205.023438 MB of memory in use. ENERGY: 1475800 750.4758 2047.8892 1948.2800 129.5718 -206391.9229 17905.4591 0.0000 0.0000 34182.7734 -149427.4736 298.5267 -183610.2471 -149328.5266 297.9690 18.7654 52.5101 557122.2446 -7.7117 -7.8363 PRESSURE: 1476000 -2.79641 -94.1985 43.1077 -94.1974 -446.826 -21.0939 43.1064 -21.0937 -167.393 GPRESSURE: 1476000 0.803676 -125.337 92.2802 -11.1213 -425.894 -9.53849 70.293 -43.7031 -97.8311 PRESSAVG: 1476000 19.2642 -3.5485 57.102 -3.54853 -10.9655 -7.31652 57.102 -7.31658 -10.8826 GPRESSAVG: 1476000 19.9049 -4.01831 57.3348 -0.796318 -12.3778 -7.06933 56.2942 -7.89747 -10.4108 TIMING: 1476000 CPU: 4389.19, 0.00299079/step Wall: 4389.19, 0.00299079/step, 2.92765 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: 1476000 728.6311 2091.5053 1948.4327 119.3269 -206121.4823 17571.3162 0.0000 0.0000 34228.3815 -149433.8886 298.9250 -183662.2701 -149335.7360 298.3511 -205.6716 -174.3072 559165.0593 -0.8613 -0.9612 PRESSURE: 1476200 5.45824 -54.1955 -26.2563 -54.1959 -160.155 -14.2634 -26.2548 -14.2651 -60.6839 GPRESSURE: 1476200 -23.7336 -77.5227 -64.7616 -55.1843 -46.1183 -21.2826 52.582 -3.97143 -59.6046 PRESSAVG: 1476200 21.7582 -13.9401 50.2279 -13.9401 -43.7862 39.8798 50.228 39.8798 3.86749 GPRESSAVG: 1476200 21.438 -15.9678 50.3469 -15.5193 -42.524 40.3 47.6889 39.4401 3.11264 TIMING: 1476200 CPU: 4389.78, 0.00299504/step Wall: 4389.78, 0.00299504/step, 2.93164 hours remaining, 205.023438 MB of memory in use. ENERGY: 1476200 720.7115 2117.6856 1942.4436 117.7179 -206046.6170 17703.3076 0.0000 0.0000 34005.4670 -149439.2838 296.9782 -183444.7507 -149346.8983 297.9777 -71.7935 -43.1522 557892.8007 -6.0535 -5.9911 LDB: ============= START OF LOAD BALANCING ============== 4393.21 LDB: ============== END OF LOAD BALANCING =============== 4393.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4393.22 LDB: ============= START OF LOAD BALANCING ============== 4393.52 LDB: Largest compute 4847 load 0.027195 is 23.0% of average load 0.118061 LDB: Average compute 0.001723 is 1.5% of average load 0.118061 LDB: TIME 4393.52 LOAD: AVG 0.118061 MAX 0.202352 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.797 MB LDB: TIME 4393.52 LOAD: AVG 0.118061 MAX 0.202352 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 4393.52 LOAD: AVG 0.118061 MAX 0.202352 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4393.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4393.52 PRESSURE: 1476400 59.6296 168.394 70.4936 168.394 264.464 -76.7972 70.4938 -76.7979 103.413 GPRESSURE: 1476400 196.511 136.597 -1.67128 223.448 243.013 -59.7218 63.6553 -79.9672 81.9116 PRESSAVG: 1476400 32.7018 10.9389 -4.20512 10.939 -38.3902 12.5329 -4.20511 12.5329 41.2989 GPRESSAVG: 1476400 32.8175 13.2987 -4.74896 12.1321 -38.4921 11.7625 -2.46393 14.3933 41.1169 TIMING: 1476400 CPU: 4390.39, 0.00304878/step Wall: 4390.39, 0.00304878/step, 2.98408 hours remaining, 205.429688 MB of memory in use. ENERGY: 1476400 716.9211 2060.5402 1928.3856 112.1835 -206390.8916 18020.8770 0.0000 0.0000 34156.1224 -149395.8618 298.2939 -183551.9842 -149297.8549 298.4179 142.5020 173.8120 557003.0988 11.8702 11.8141 PRESSURE: 1476600 -2.77155 -74.5838 -118.95 -74.5834 -172.968 -46.2447 -118.949 -46.2444 -273.761 GPRESSURE: 1476600 -20.4538 -88.79 -149.501 -197.997 -120.522 -81.3818 -94.6544 -45.9346 -202.94 PRESSAVG: 1476600 8.69881 -27.7729 -12.5149 -27.7727 32.8942 -37.1844 -12.515 -37.1843 -16.8987 GPRESSAVG: 1476600 9.40939 -27.9677 -11.8932 -28.699 33.6132 -37.0514 -9.82917 -37.9207 -18.2532 TIMING: 1476600 CPU: 4390.99, 0.0029728/step Wall: 4390.99, 0.0029728/step, 2.90955 hours remaining, 205.429688 MB of memory in use. ENERGY: 1476600 727.6566 2049.1879 1961.6368 108.9769 -205870.5372 17479.6601 0.0000 0.0000 34249.3874 -149294.0315 299.1084 -183543.4190 -149190.6700 298.8868 -149.8336 -114.6386 559511.2413 8.2314 8.2564 PRESSURE: 1476800 -1.7184 -120.257 -124.45 -120.259 23.6976 232.596 -124.45 232.595 -153.972 GPRESSURE: 1476800 19.8815 -72.4821 -117.459 -214.609 -13.5846 189.251 -134.357 248.796 -46.1441 PRESSAVG: 1476800 24.0396 21.9101 54.9321 21.9101 -38.5799 -27.5453 54.9322 -27.5454 9.76292 GPRESSAVG: 1476800 24.0429 21.8732 56.0459 20.9756 -39.6253 -28.8368 52.6454 -27.6316 11.0121 TIMING: 1476800 CPU: 4391.58, 0.00295261/step Wall: 4391.58, 0.00295261/step, 2.88962 hours remaining, 205.429688 MB of memory in use. ENERGY: 1476800 700.2083 2048.4802 1961.8245 107.6179 -205806.8074 17613.2187 0.0000 0.0000 34171.8560 -149203.6019 298.4313 -183375.4579 -149105.0863 298.8356 -43.9975 -13.2824 558655.2000 -1.5925 -1.5234 PRESSURE: 1477000 7.65572 -36.487 87.6847 -36.4885 -72.6291 -63.949 87.6869 -63.9502 -358.616 GPRESSURE: 1477000 -7.96043 -113.132 17.1513 4.81112 -22.6738 4.13284 150.06 -58.6204 -297.346 PRESSAVG: 1477000 44.3584 -11.7262 -19.4913 -11.7261 -54.6997 -20.294 -19.4912 -20.2939 -38.7876 GPRESSAVG: 1477000 43.6702 -10.0472 -21.9724 -10.0741 -53.8024 -17.4538 -19.6551 -20.8599 -38.9861 TIMING: 1477000 CPU: 4392.17, 0.00295542/step Wall: 4392.17, 0.00295542/step, 2.89221 hours remaining, 205.429688 MB of memory in use. ENERGY: 1477000 749.4776 1995.7111 1952.5152 104.1616 -206145.6407 17792.2741 0.0000 0.0000 34424.8681 -149126.6329 300.6409 -183551.5010 -149028.6710 298.9135 -141.1964 -109.3266 558006.8383 -16.3763 -16.3728 PRESSURE: 1477200 57.5072 52.7968 -77.3678 52.7967 76.775 97.3455 -77.3678 97.3451 42.3444 GPRESSURE: 1477200 109.576 79.7341 -42.5465 46.2461 149.709 159.041 -34.7342 89.9797 25.5707 PRESSAVG: 1477200 35.7189 -10.0417 46.2888 -10.0417 87.2175 40.4976 46.289 40.4976 -85.0127 GPRESSAVG: 1477200 35.2539 -10.5522 47.2788 -10.1223 87.6657 37.7027 45.9784 42.9569 -85.0774 TIMING: 1477200 CPU: 4392.76, 0.00296104/step Wall: 4392.76, 0.00296104/step, 2.89754 hours remaining, 205.429688 MB of memory in use. ENERGY: 1477200 782.6377 2079.3459 1966.2216 108.4227 -206496.1964 18043.7297 0.0000 0.0000 34275.9221 -149239.9166 299.3402 -183515.8387 -149146.1245 299.6768 58.8755 94.9518 555445.3394 12.6412 12.6140 PRESSURE: 1477400 -231.343 -3.51688 -10.8957 -3.51829 -256.619 65.7696 -10.8951 65.7691 -197.744 GPRESSURE: 1477400 -274.753 43.9357 64.6932 -41.5141 -213.505 79.3388 12.627 91.6172 -101.974 PRESSAVG: 1477400 61.1453 -22.6231 -5.33289 -22.623 -6.71053 -16.8818 -5.33294 -16.8818 -37.5516 GPRESSAVG: 1477400 62.1338 -22.9104 -6.46574 -21.7898 -7.15409 -16.3582 -5.31256 -18.6636 -37.6335 TIMING: 1477400 CPU: 4393.35, 0.00295223/step Wall: 4393.35, 0.00295223/step, 2.88876 hours remaining, 205.429688 MB of memory in use. ENERGY: 1477400 779.7083 2039.3334 1960.1686 117.0212 -205746.6838 17477.4661 0.0000 0.0000 34194.2826 -149178.7036 298.6272 -183372.9862 -149086.2249 299.2541 -228.5684 -196.7442 557707.3614 5.6277 5.7821 PRESSURE: 1477600 -58.3445 82.7534 -210.308 82.7514 -24.0496 74.7979 -210.309 74.7979 123.218 GPRESSURE: 1477600 35.4673 25.821 -87.4293 100.46 -8.79876 47.0276 -216.684 119.547 119.299 PRESSAVG: 1477600 3.32818 23.4169 -53.7627 23.4168 -6.68791 5.81712 -53.7628 5.81715 -4.59801 GPRESSAVG: 1477600 3.76863 23.2635 -51.3134 22.6642 -7.03042 7.95398 -53.8011 5.52598 -5.42554 TIMING: 1477600 CPU: 4393.95, 0.00299631/step Wall: 4393.95, 0.00299631/step, 2.93172 hours remaining, 205.429688 MB of memory in use. ENERGY: 1477600 746.5367 2080.8554 1974.7392 109.3591 -206154.2076 17790.4084 0.0000 0.0000 34325.2216 -149127.0873 299.7707 -183452.3089 -149032.2500 299.6317 13.6080 48.6558 557601.3716 -2.6526 -2.8958 PRESSURE: 1477800 208.189 -8.10184 103.427 -8.10257 29.2639 -71.5953 103.428 -71.5942 35.1333 GPRESSURE: 1477800 299.661 -10.364 170.614 27.0154 35.5081 -8.34647 108.756 14.8893 50.8028 PRESSAVG: 1477800 48.4501 37.8329 -37.0282 37.8329 -62.2911 4.23101 -37.0283 4.23104 -40.2003 GPRESSAVG: 1477800 48.1582 37.4324 -39.8271 36.5585 -62.1052 3.18975 -34.9977 3.58351 -40.0817 TIMING: 1477800 CPU: 4394.55, 0.00301127/step Wall: 4394.55, 0.00301127/step, 2.9462 hours remaining, 205.429688 MB of memory in use. ENERGY: 1477800 742.5948 2040.5765 1954.9522 124.1257 -206353.6301 17824.3247 0.0000 0.0000 34405.2021 -149261.8541 300.4692 -183667.0562 -149164.0641 299.0629 90.8622 128.6572 555890.7165 -18.0138 -18.0095 PRESSURE: 1478000 19.8287 -18.636 -59.4835 -18.6354 263.633 -41.2318 -59.4847 -41.2321 334.401 GPRESSURE: 1478000 13.1783 -41.499 -76.5569 -25.4537 331.493 50.7123 -80.443 22.4861 362.789 PRESSAVG: 1478000 6.13888 -0.586414 -0.0946357 -0.586399 35.1124 52.0796 -0.0946874 52.0797 -6.16337 GPRESSAVG: 1478000 7.09664 0.149979 -1.15336 0.580174 34.9004 53.263 -0.0811786 54.0411 -6.60734 TIMING: 1478000 CPU: 4395.15, 0.00298943/step Wall: 4395.15, 0.00298943/step, 2.92466 hours remaining, 205.429688 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: 1478000 743.1317 2045.5416 1984.2608 106.4073 -206569.8312 18038.4236 0.0000 0.0000 34436.6467 -149215.4194 300.7438 -183652.0661 -149123.6045 299.6270 205.9543 235.8201 554899.2734 11.6960 11.7966 PRESSURE: 1478200 -52.7984 -35.1548 -77.1522 -35.1544 113.848 -115.565 -77.1519 -115.565 -138.002 GPRESSURE: 1478200 -43.7362 33.3477 -25.2414 -101.398 134.598 -177.995 -93.0276 -88.1012 -65.5547 PRESSAVG: 1478200 -3.42089 -1.66659 6.03604 -1.66662 59.5554 -6.76355 6.03595 -6.76357 -67.0118 GPRESSAVG: 1478200 -4.87954 -1.16018 7.05706 -2.67688 60.0732 -6.58107 3.02001 -8.66889 -66.2568 TIMING: 1478200 CPU: 4395.75, 0.00298068/step Wall: 4395.75, 0.00298068/step, 2.91593 hours remaining, 205.429688 MB of memory in use. ENERGY: 1478200 774.9856 2140.5941 1984.2605 105.0591 -206381.5103 17737.0246 0.0000 0.0000 34429.9741 -149209.6123 300.6855 -183639.5864 -149109.9833 300.0449 -25.6510 8.4356 556804.8136 -3.6257 -3.6877 PRESSURE: 1478400 59.8502 -0.587075 -18.9813 -0.586982 -151.657 -84.4502 -18.9795 -84.4501 -112.428 GPRESSURE: 1478400 65.7379 57.6398 54.1106 3.42313 -118.817 -58.2538 -54.3131 -120.324 -53.6216 PRESSAVG: 1478400 71.9989 4.94876 36.108 4.94881 -35.4419 -13.2566 36.1082 -13.2567 -49.8652 GPRESSAVG: 1478400 72.1098 3.24863 36.0762 4.08288 -35.3091 -13.8569 38.1122 -12.9903 -49.5544 TIMING: 1478400 CPU: 4396.34, 0.00298102/step Wall: 4396.34, 0.00298102/step, 2.9161 hours remaining, 205.429688 MB of memory in use. ENERGY: 1478400 746.0213 2075.4150 1925.5312 115.0750 -206127.7414 17844.7853 0.0000 0.0000 34125.9877 -149294.9260 298.0307 -183420.9136 -149196.9000 299.2848 -68.0783 -35.5670 559505.3116 -4.4361 -4.2512 PRESSURE: 1478600 -63.1907 69.8249 -82.3431 69.8232 55.6867 44.7535 -82.3436 44.7524 142.038 GPRESSURE: 1478600 -19.8621 97.9254 -136.436 121.102 97.515 137.491 -42.1375 51.2073 154.097 PRESSAVG: 1478600 70.0248 10.0845 -5.86418 10.0845 -55.5307 -14.7189 -5.86418 -14.7189 3.61732 GPRESSAVG: 1478600 71.4061 11.1902 -5.69951 11.114 -55.1934 -14.7328 -9.14152 -15.6034 1.50278 TIMING: 1478600 CPU: 4396.94, 0.00298473/step Wall: 4396.94, 0.00298473/step, 2.91956 hours remaining, 205.429688 MB of memory in use. ENERGY: 1478600 757.0566 2101.5189 1953.0271 113.7071 -205719.7689 17711.1460 0.0000 0.0000 34056.4369 -149026.8763 297.4233 -183083.3131 -148934.1253 298.6738 44.8445 77.2500 558082.4822 6.0371 5.9051 PRESSURE: 1478800 -131.891 -80.1143 232.599 -80.1149 -155.455 -62.2198 232.598 -62.2198 -44.8599 GPRESSURE: 1478800 -96.6253 -109.201 193.666 -60.2272 -86.9285 -1.95325 302.026 -84.5478 -43.571 PRESSAVG: 1478800 -30.2768 -52.5305 83.3884 -52.5305 25.152 18.8091 83.3885 18.8091 -20.0567 GPRESSAVG: 1478800 -32.3715 -54.224 82.4955 -54.6403 25.5081 18.2263 85.7477 19.362 -18.6277 TIMING: 1478800 CPU: 4397.54, 0.00300845/step Wall: 4397.54, 0.00300845/step, 2.9426 hours remaining, 205.429688 MB of memory in use. ENERGY: 1478800 759.9471 2074.8813 1985.0101 119.6301 -205922.2891 17728.6436 0.0000 0.0000 34355.9034 -148898.2736 300.0386 -183254.1770 -148807.1693 300.2091 -110.7355 -75.7083 558515.8058 -8.3938 -8.4970 PRESSURE: 1479000 0.0200507 -254.835 91.8966 -254.835 201.428 -75.0922 91.8954 -75.0938 -35.7734 GPRESSURE: 1479000 77.9771 -312.135 103.284 -160.768 219.381 -59.5473 78.4844 -12.7913 -39.7733 PRESSAVG: 1479000 -24.3129 15.2132 44.4333 15.2132 -1.0395 -29.5854 44.4333 -29.5855 39.998 GPRESSAVG: 1479000 -23.2852 16.2754 45.1507 17.2278 -1.66515 -28.2953 45.1696 -31.3599 39.9812 TIMING: 1479000 CPU: 4398.15, 0.00301849/step Wall: 4398.15, 0.00301849/step, 2.95225 hours remaining, 205.429688 MB of memory in use. ENERGY: 1479000 775.3838 2093.1153 1960.0372 97.3234 -206112.2450 17842.2193 0.0000 0.0000 34519.8506 -148824.3155 301.4704 -183344.1661 -148729.6615 299.9906 55.2248 85.8615 556897.1579 4.8819 5.0103 PRESSURE: 1479200 -97.4384 -54.6528 130.61 -54.6525 56.1821 100.155 130.612 100.155 -172.839 GPRESSURE: 1479200 -80.1503 13.6057 147.261 -93.834 87.8227 163.179 128.719 62.5806 -121.754 PRESSAVG: 1479200 -18.8115 9.51968 49.4034 9.51972 18.3349 8.97243 49.4034 8.97232 40.5642 GPRESSAVG: 1479200 -18.5911 9.97155 49.2233 8.63952 18.0211 7.61248 49.6168 9.39745 40.9012 TIMING: 1479200 CPU: 4398.74, 0.0029853/step Wall: 4398.74, 0.0029853/step, 2.91962 hours remaining, 205.429688 MB of memory in use. ENERGY: 1479200 781.0975 2090.1660 1939.3677 104.2198 -205771.7838 17584.9219 0.0000 0.0000 34306.6951 -148965.3158 299.6089 -183272.0109 -148866.5729 300.0169 -71.3651 -38.0271 557837.4440 13.3625 13.4437 PRESSURE: 1479400 -58.148 141.292 -69.2013 141.293 83.5415 -151.472 -69.2007 -151.471 -55.2084 GPRESSURE: 1479400 -11.6777 235.577 -163.395 92.2896 129.615 -67.1786 6.02572 -251.343 -61.1387 PRESSAVG: 1479400 10.5905 21.5622 -10.9745 21.5621 -15.8092 -13.4172 -10.9745 -13.4173 -16.874 GPRESSAVG: 1479400 9.31906 20.3649 -13.4814 23.8086 -15.3962 -14.1605 -9.67203 -13.0863 -16.1009 TIMING: 1479400 CPU: 4399.34, 0.00296947/step Wall: 4399.34, 0.00296947/step, 2.90397 hours remaining, 205.429688 MB of memory in use. ENERGY: 1479400 767.2578 2108.7880 2005.3333 116.0079 -205959.8404 17715.4440 0.0000 0.0000 34271.9106 -148975.0987 299.3051 -183247.0093 -148883.1466 299.9217 -9.9383 18.9329 558152.2130 -7.3643 -7.3927 PRESSURE: 1479600 -4.15203 -82.9132 42.2144 -82.9141 -45.1117 72.1894 42.2147 72.1883 229.953 GPRESSURE: 1479600 55.7031 -92.093 21.6963 -143.499 -55.7595 66.6375 34.279 27.8446 272.397 PRESSAVG: 1479600 6.44227 35.0883 2.0334 35.0883 17.9938 25.7817 2.03335 25.7817 -33.9883 GPRESSAVG: 1479600 7.69083 36.4992 4.31843 33.4501 17.4193 25.9627 -1.18191 25.2815 -35.2467 TIMING: 1479600 CPU: 4399.94, 0.00300641/step Wall: 4399.94, 0.00300641/step, 2.93993 hours remaining, 205.429688 MB of memory in use. ENERGY: 1479600 766.9161 2136.8084 1944.5601 116.0513 -206392.5498 17990.3413 0.0000 0.0000 34307.2019 -149130.6707 299.6133 -183437.8726 -149028.3972 300.0217 60.2297 90.7802 557449.7618 -3.1841 -3.3789 PRESSURE: 1479800 -31.358 -147.071 186.204 -147.07 179.412 -178.218 186.204 -178.219 90.7611 GPRESSURE: 1479800 29.876 -166.197 137.873 -108.379 174.221 -88.2136 189.933 -183.82 127.84 PRESSAVG: 1479800 -26.9304 25.7589 26.0376 25.759 -31.2075 -21.8053 26.0376 -21.8054 25.8205 GPRESSAVG: 1479800 -27.167 25.0308 24.5863 27.7137 -31.1187 -21.2663 28.7327 -21.3752 25.677 TIMING: 1479800 CPU: 4400.54, 0.00299074/step Wall: 4400.54, 0.00299074/step, 2.92444 hours remaining, 205.429688 MB of memory in use. ENERGY: 1479800 761.3595 2070.3316 1947.4574 116.9515 -206155.4035 17940.7812 0.0000 0.0000 34198.9657 -149119.5565 298.6681 -183318.5221 -149014.6821 299.2667 79.6050 110.6457 558372.7600 -10.7725 -10.8696 PRESSURE: 1480000 82.1257 -49.5335 6.97769 -49.533 267.851 -123.804 6.97731 -123.804 -462.136 GPRESSURE: 1480000 98.2963 -90.1452 -37.6929 1.16719 224.709 -76.2124 19.8972 -189.961 -342.994 PRESSAVG: 1480000 -40.8932 16.6614 23.8811 16.6614 74.4204 -31.1602 23.8811 -31.1603 -6.25236 GPRESSAVG: 1480000 -41.34 16.3082 24.7419 17.3125 74.3439 -31.2348 22.7121 -30.7454 -5.66287 TIMING: 1480000 CPU: 4401.14, 0.00298986/step Wall: 4401.14, 0.00298986/step, 2.92342 hours remaining, 205.429688 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: 1480000 757.3775 2127.1493 1955.4914 121.6937 -206034.3068 17730.3706 0.0000 0.0000 34137.8138 -149204.4103 298.1340 -183342.2242 -149102.6532 299.3052 -37.3862 -6.6626 557278.9341 9.0916 9.1137 PRESSURE: 1480200 -141.599 -26.3328 122.505 -26.3318 -20.9311 7.26765 122.505 7.26732 67.485 GPRESSURE: 1480200 -127.995 -6.66578 85.0786 6.22768 51.2037 98.021 112.587 60.2666 76.4718 PRESSAVG: 1480200 -17.9164 21.5143 29.2837 21.5144 71.6845 -11.5679 29.2837 -11.5678 -80.7671 GPRESSAVG: 1480200 -16.8868 21.428 29.5799 20.0963 71.2978 -14.1827 29.1534 -9.28285 -81.4573 TIMING: 1480200 CPU: 4401.73, 0.00298966/step Wall: 4401.73, 0.00298966/step, 2.92306 hours remaining, 205.429688 MB of memory in use. ENERGY: 1480200 732.2900 2061.0161 1958.7435 121.8746 -205944.6483 17681.5010 0.0000 0.0000 34092.4270 -149296.7961 297.7376 -183389.2231 -149197.4599 298.7137 -31.6816 -0.1064 556554.4886 -8.9997 -9.0155 LDB: ============= START OF LOAD BALANCING ============== 4405.16 LDB: ============== END OF LOAD BALANCING =============== 4405.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4405.16 LDB: ============= START OF LOAD BALANCING ============== 4405.47 LDB: Largest compute 4847 load 0.027045 is 22.9% of average load 0.118083 LDB: Average compute 0.001720 is 1.5% of average load 0.118083 LDB: TIME 4405.47 LOAD: AVG 0.118083 MAX 0.204609 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 4405.47 LOAD: AVG 0.118083 MAX 0.204609 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 4405.47 LOAD: AVG 0.118083 MAX 0.204609 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 4405.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4405.47 PRESSURE: 1480400 -145.595 4.23347 126.438 4.23369 -49.2282 -53.0403 126.438 -53.0417 -146.664 GPRESSURE: 1480400 -80.5001 135.522 124.649 -51.3109 -31.721 -54.827 62.6966 -59.6292 -121.537 PRESSAVG: 1480400 14.106 -10.5624 -18.1775 -10.5624 21.5665 25.9698 -18.1775 25.9697 -3.66986 GPRESSAVG: 1480400 12.666 -8.89786 -16.1002 -10.5241 21.3602 28.0661 -18.4664 24.8823 -2.10547 TIMING: 1480400 CPU: 4402.34, 0.00305548/step Wall: 4402.34, 0.00305548/step, 2.98724 hours remaining, 205.941406 MB of memory in use. ENERGY: 1480400 736.0978 2060.9261 1932.1450 125.5147 -206112.2008 17678.8120 0.0000 0.0000 34290.4676 -149288.2376 299.4672 -183578.7051 -149192.1730 299.2981 -113.8291 -77.9193 556151.0483 10.6675 10.6402 PRESSURE: 1480600 105.121 -31.0888 -44.1569 -31.0904 -419.905 -56.5497 -44.1571 -56.5507 39.1757 GPRESSURE: 1480600 134.183 -37.0155 -137.704 1.73086 -350.302 -68.061 1.4068 -52.8704 38.1622 PRESSAVG: 1480600 52.3768 -1.21887 22.453 -1.21889 -26.0205 54.2346 22.4531 54.2346 -5.33016 GPRESSAVG: 1480600 53.5672 -1.34846 19.1567 -1.8614 -25.9027 54.2093 21.8686 56.6991 -6.35595 TIMING: 1480600 CPU: 4402.94, 0.00300216/step Wall: 4402.94, 0.00300216/step, 2.93494 hours remaining, 205.941406 MB of memory in use. ENERGY: 1480600 811.8943 2127.8248 1959.8000 108.4069 -206121.2184 17744.4713 0.0000 0.0000 34351.8426 -149016.9785 300.0032 -183368.8211 -148931.8684 299.3576 -91.8693 -59.3191 556983.8525 7.0087 7.1028 PRESSURE: 1480800 30.1938 -3.81339 0.790787 -3.81392 -172.465 81.3138 0.791156 81.3137 73.2599 GPRESSURE: 1480800 49.4531 -29.4365 21.2551 -7.5844 -123.066 98.6619 -29.2589 17.607 101.239 PRESSAVG: 1480800 -0.568048 20.217 26.9544 20.2171 -14.3837 42.5509 26.9544 42.5509 7.37141 GPRESSAVG: 1480800 -2.39033 19.6307 27.4726 20.9276 -13.0693 41.1917 27.7082 39.3902 7.36891 TIMING: 1480800 CPU: 4403.55, 0.00300538/step Wall: 4403.55, 0.00300538/step, 2.93793 hours remaining, 205.941406 MB of memory in use. ENERGY: 1480800 748.0345 2096.1827 1974.5724 120.5755 -205859.5268 17652.9359 0.0000 0.0000 34326.7130 -148940.5128 299.7837 -183267.2258 -148841.7704 300.3772 -23.0039 9.2087 558108.1961 -2.5268 -2.6969 PRESSURE: 1481000 -295.058 -48.6723 81.3373 -48.6721 119.587 -14.2322 81.3372 -14.233 -39.1692 GPRESSURE: 1481000 -236.562 -29.4144 117.631 -13.7909 111.668 4.51676 31.2705 -78.3618 2.06281 PRESSAVG: 1481000 27.3366 1.15464 2.35286 1.1547 -29.2435 28.2273 2.35278 28.2273 10.603 GPRESSAVG: 1481000 28.7757 0.765364 1.89367 2.22265 -29.457 26.6409 3.32346 28.4983 9.91245 TIMING: 1481000 CPU: 4404.15, 0.00302083/step Wall: 4404.15, 0.00302083/step, 2.95286 hours remaining, 205.941406 MB of memory in use. ENERGY: 1481000 763.0263 2135.4722 1960.7109 116.7202 -206201.1526 17761.0903 0.0000 0.0000 34334.3183 -149129.8145 299.8501 -183464.1328 -149034.1453 299.9302 -71.5465 -40.9436 555968.0642 2.8987 3.0770 PRESSURE: 1481200 -124.55 -95.4284 46.1934 -95.4295 46.8403 107.026 46.1935 107.026 238.888 GPRESSURE: 1481200 -83.3056 -152.655 -35.209 -131.924 33.6808 169.372 36.4114 -39.6748 310.739 PRESSAVG: 1481200 -3.75587 -12.0547 4.85625 -12.0548 -15.2212 27.1565 4.85617 27.1565 40.6738 GPRESSAVG: 1481200 -3.9014 -11.8408 2.89463 -13.0601 -15.9761 29.1906 3.4178 25.9137 41.6009 TIMING: 1481200 CPU: 4404.75, 0.00299652/step Wall: 4404.75, 0.00299652/step, 2.92894 hours remaining, 205.941406 MB of memory in use. ENERGY: 1481200 717.9189 2103.3351 1952.1013 110.9320 -206097.3717 17743.0974 0.0000 0.0000 34248.9560 -149221.0310 299.1047 -183469.9870 -149114.0187 298.7493 53.7259 87.0379 557493.0562 7.2323 7.2411 PRESSURE: 1481400 22.0101 -43.7935 66.7877 -43.7948 -76.7059 64.2201 66.788 64.2204 -114.281 GPRESSURE: 1481400 62.5652 -61.7012 74.4102 -74.8076 -28.9788 181.452 8.42257 109.225 -119.797 PRESSAVG: 1481400 6.39104 -12.2965 54.1319 -12.2965 -44.4214 4.53981 54.1319 4.53974 33.3869 GPRESSAVG: 1481400 6.39468 -14.7248 54.625 -11.8718 -44.4504 6.12821 57.2114 7.83563 32.8616 TIMING: 1481400 CPU: 4405.35, 0.00301643/step Wall: 4405.35, 0.00301643/step, 2.94823 hours remaining, 205.941406 MB of memory in use. ENERGY: 1481400 714.6116 2085.1436 1945.0081 126.2959 -206159.4701 17697.0354 0.0000 0.0000 34308.5616 -149282.8139 299.6252 -183591.3755 -149185.4791 298.9361 -56.3255 -28.7370 556566.2577 -1.5478 -1.7314 PRESSURE: 1481600 123.299 85.0762 46.7177 85.0775 0.249281 102.707 46.7174 102.706 139.975 GPRESSURE: 1481600 136.832 115.985 98.4573 114.372 73.0043 87.8267 87.1734 181.021 151.05 PRESSAVG: 1481600 39.2596 6.87162 25.8461 6.87155 -62.6789 53.7431 25.8461 53.7431 18.9693 GPRESSAVG: 1481600 38.5447 8.19465 29.1286 7.21674 -62.401 53.5625 24.1988 53.0202 19.44 TIMING: 1481600 CPU: 4405.96, 0.00301847/step Wall: 4405.96, 0.00301847/step, 2.95005 hours remaining, 205.941406 MB of memory in use. ENERGY: 1481600 770.8457 2084.4402 1983.9415 100.1164 -206654.5298 17881.8638 0.0000 0.0000 34520.2384 -149313.0838 301.4738 -183833.3223 -149218.8083 299.2839 87.8412 120.2956 554725.8165 -1.4834 -1.4721 PRESSURE: 1481800 -212.99 32.2899 159.975 32.2906 -144.207 33.7904 159.975 33.7918 21.7473 GPRESSURE: 1481800 -184.197 1.43407 154.829 2.87275 -93.985 -27.8649 144.585 40.0927 39.6996 PRESSAVG: 1481800 -39.9235 -31.4954 28.0847 -31.4954 15.8031 29.2095 28.0848 29.2095 -2.83409 GPRESSAVG: 1481800 -40.1542 -30.4138 26.4813 -31.8488 15.9754 29.0681 26.1959 28.8017 -2.18908 TIMING: 1481800 CPU: 4406.56, 0.00299367/step Wall: 4406.56, 0.00299367/step, 2.92565 hours remaining, 205.941406 MB of memory in use. ENERGY: 1481800 722.0927 2130.6126 1961.0342 115.6729 -206122.2258 17632.8779 0.0000 0.0000 34382.9552 -149176.9802 300.2749 -183559.9354 -149069.6714 299.8316 -111.8163 -79.4942 557669.9402 -8.9848 -8.7893 PRESSURE: 1482000 28.8336 27.0243 -107.583 27.0236 -157.688 88.4878 -107.584 88.4885 -112.756 GPRESSURE: 1482000 52.6789 -4.62574 -128.568 -6.34267 -122.365 42.7393 -94.2556 76.5083 -63.8542 PRESSAVG: 1482000 -13.7555 -46.5905 -8.45212 -46.5904 2.45517 -4.39932 -8.45202 -4.39932 8.47447 GPRESSAVG: 1482000 -11.508 -47.5712 -8.55258 -46.0574 2.26799 -4.64277 -8.02357 -2.42711 7.48195 TIMING: 1482000 CPU: 4407.15, 0.00298559/step Wall: 4407.15, 0.00298559/step, 2.91758 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: 1482000 769.5467 2028.7189 1929.4257 100.2755 -205893.7677 17549.9343 0.0000 0.0000 34326.1042 -149189.7623 299.7784 -183515.8665 -149091.2060 298.9728 -80.5368 -44.5134 557388.8371 -0.9420 -0.5860 PRESSURE: 1482200 114.61 1.06206 362.88 1.06328 -69.5784 44.6159 362.88 44.616 71.0263 GPRESSURE: 1482200 102.423 36.7117 316.65 4.47111 7.05338 -41.8681 388.124 94.9408 102.057 PRESSAVG: 1482200 15.6662 22.2748 2.26968 22.2748 -38.637 29.6279 2.26969 29.6277 -23.0602 GPRESSAVG: 1482200 15.4016 22.3892 3.64872 22.0324 -38.2761 30.1357 1.89895 27.5639 -22.6119 TIMING: 1482200 CPU: 4407.75, 0.00297373/step Wall: 4407.75, 0.00297374/step, 2.90583 hours remaining, 205.941406 MB of memory in use. ENERGY: 1482200 753.3225 2151.1965 1978.6485 113.2087 -206333.9286 17767.3316 0.0000 0.0000 34224.0180 -149346.2028 298.8869 -183570.2208 -149252.2313 299.0754 38.6861 70.5110 556269.8986 -15.3437 -15.1622 PRESSURE: 1482400 -286.783 25.1067 54.3202 25.1063 -60.7266 35.8418 54.3196 35.8421 64.0919 GPRESSURE: 1482400 -227.57 117.444 99.1855 -39.6899 -59.3668 -18.5917 1.12669 66.7434 97.0143 PRESSAVG: 1482400 -18.5337 -25.8296 31.2408 -25.8296 -7.55528 21.6627 31.2408 21.6628 73.8807 GPRESSAVG: 1482400 -18.0207 -25.5673 28.8727 -25.0018 -8.33267 19.9032 33.1512 23.6327 74.3719 TIMING: 1482400 CPU: 4408.34, 0.00297702/step Wall: 4408.34, 0.00297702/step, 2.90888 hours remaining, 205.941406 MB of memory in use. ENERGY: 1482400 792.4077 2102.6145 1966.6833 111.7258 -206634.7587 17837.1510 0.0000 0.0000 34314.7159 -149509.4604 299.6789 -183824.1764 -149405.1602 298.5778 -94.4727 -63.3076 555295.5579 15.9306 16.0062 PRESSURE: 1482600 -78.34 53.3135 -10.6627 53.3154 -41.3368 112.482 -10.6629 112.481 62.1963 GPRESSURE: 1482600 -75.1049 61.2794 -27.327 -12.0779 -35.2707 28.2823 -53.5898 147.356 142.82 PRESSAVG: 1482600 -59.9211 -20.7522 -1.64188 -20.7521 0.343621 -16.5412 -1.64185 -16.5412 76.4186 GPRESSAVG: 1482600 -60.6533 -21.1395 -1.72707 -21.3947 1.79051 -17.4116 -2.00037 -16.5491 76.5347 TIMING: 1482600 CPU: 4408.94, 0.00297461/step Wall: 4408.94, 0.00297461/step, 2.90636 hours remaining, 205.941406 MB of memory in use. ENERGY: 1482600 810.2197 2098.1783 1954.5878 105.0952 -206782.7288 17918.9832 0.0000 0.0000 34263.3032 -149632.3614 299.2299 -183895.6646 -149534.5741 299.1792 -19.1602 10.8149 555023.7299 5.6137 5.8906 PRESSURE: 1482800 -52.3205 -5.2739 -11.4371 -5.27434 -26.5069 343.397 -11.4373 343.395 111.3 GPRESSURE: 1482800 4.99411 -46.3786 8.36609 55.7403 15.8645 417.793 34.0956 276.935 107.302 PRESSAVG: 1482800 14.2404 11.1974 30.3069 11.1974 -35.3141 4.129 30.307 4.12893 50.9491 GPRESSAVG: 1482800 15.3694 10.233 32.6464 12.8589 -35.1936 6.64116 30.8639 1.43244 50.268 TIMING: 1482800 CPU: 4409.53, 0.00298516/step Wall: 4409.53, 0.00298516/step, 2.9165 hours remaining, 205.941406 MB of memory in use. ENERGY: 1482800 731.4690 2065.1184 1993.5718 125.3756 -206749.0307 18152.8800 0.0000 0.0000 34153.2141 -149527.4019 298.2685 -183680.6160 -149429.9499 297.9059 10.8243 42.7203 558233.1346 9.9585 10.1479 PRESSURE: 1483000 -218.086 92.5881 -69.1397 92.5883 -37.9297 -105.654 -69.1389 -105.653 -188.661 GPRESSURE: 1483000 -187.123 72.0581 -37.1143 91.3745 -10.8412 -152.645 -92.334 -79.6757 -164.547 PRESSAVG: 1483000 -23.3786 -31.9233 16.9339 -31.9233 -2.61635 53.8625 16.9339 53.8624 24.9087 GPRESSAVG: 1483000 -24.5773 -33.9466 16.2238 -34.3778 -3.56056 52.5266 15.8814 53.5087 27.2907 TIMING: 1483000 CPU: 4410.13, 0.00299057/step Wall: 4410.13, 0.00299057/step, 2.92162 hours remaining, 205.941406 MB of memory in use. ENERGY: 1483000 770.9970 2078.0557 1950.8775 110.5912 -206316.6081 17687.3351 0.0000 0.0000 34394.3161 -149324.4355 300.3741 -183718.7516 -149222.5176 298.3617 -148.2255 -120.8370 558936.9246 -0.3621 -0.2824 PRESSURE: 1483200 -182.378 146.653 -57.1094 146.653 -201.743 -19.5976 -57.109 -19.5965 55.6998 GPRESSURE: 1483200 -128.936 100.71 16.5807 59.8096 -164.831 -87.7883 -66.9192 -23.7833 64.9506 PRESSAVG: 1483200 -52.2398 34.9422 -46.3303 34.9422 26.0423 14.2577 -46.3304 14.2576 15.7272 GPRESSAVG: 1483200 -51.0905 36.8167 -46.3991 35.3268 26.7402 13.6602 -46.127 14.9076 14.1453 TIMING: 1483200 CPU: 4410.74, 0.00301306/step Wall: 4410.74, 0.00301306/step, 2.94343 hours remaining, 205.941406 MB of memory in use. ENERGY: 1483200 748.4937 2076.5115 1970.1662 100.2703 -206205.5275 17806.6441 0.0000 0.0000 34125.8652 -149377.5764 298.0297 -183503.4416 -149279.1591 299.0549 -109.4740 -76.2724 559487.2191 -3.4901 -3.4017 PRESSURE: 1483400 -2.44708 -142.411 -115.138 -142.411 -8.00506 147.864 -115.138 147.865 -147.955 GPRESSURE: 1483400 3.31738 -152.7 -51.6608 -134.422 41.1699 217.679 -204.447 206.88 -114.447 PRESSAVG: 1483400 6.50445 21.5403 -59.3936 21.5403 -50.8829 -15.7326 -59.3935 -15.7327 37.545 GPRESSAVG: 1483400 5.81525 22.6684 -57.6861 21.1668 -52.1324 -16.5373 -60.0644 -13.0726 39.0891 TIMING: 1483400 CPU: 4411.34, 0.0030031/step Wall: 4411.34, 0.0030031/step, 2.93353 hours remaining, 205.941406 MB of memory in use. ENERGY: 1483400 769.5232 2042.3854 1970.8734 108.2314 -206036.4005 17717.2227 0.0000 0.0000 34139.7426 -149288.4217 298.1509 -183428.1644 -149194.6085 298.3217 -52.8023 -23.3199 557739.8850 -2.2778 -2.4093 PRESSURE: 1483600 -87.9142 -67.9492 -30.9882 -67.9489 -183.778 -67.5092 -30.9888 -67.5084 1.62353 GPRESSURE: 1483600 -80.1739 -11.4176 -62.4108 -106.617 -164.874 33.6064 2.74763 -34.212 78.9076 PRESSAVG: 1483600 18.0178 49.6802 -23.4865 49.6801 14.525 -0.807964 -23.4864 -0.807959 -7.068 GPRESSAVG: 1483600 17.9796 49.1316 -23.6076 51.1137 14.8701 0.790845 -21.793 -2.91951 -8.0628 TIMING: 1483600 CPU: 4411.93, 0.00299471/step Wall: 4411.93, 0.00299471/step, 2.92516 hours remaining, 205.941406 MB of memory in use. ENERGY: 1483600 788.8144 2085.4080 1932.6058 104.8526 -205983.9103 17884.7133 0.0000 0.0000 34115.3650 -149072.1512 297.9380 -183187.5161 -148977.9762 299.0622 -90.0229 -55.3801 558491.2277 8.4916 8.2623 PRESSURE: 1483800 392.162 -102.482 125.398 -102.481 114.239 135.295 125.397 135.296 -13.4386 GPRESSURE: 1483800 434.902 -93.2773 106.431 -18.8595 134.886 85.9419 107.006 157.269 18.9655 PRESSAVG: 1483800 20.447 22.9422 94.7148 22.9422 -24.5561 -17.3198 94.7148 -17.3197 -35.3164 GPRESSAVG: 1483800 20.2786 22.4528 91.3481 23.493 -23.9841 -18.0567 94.7959 -15.1472 -36.1691 TIMING: 1483800 CPU: 4412.53, 0.00297252/step Wall: 4412.53, 0.00297252/step, 2.90332 hours remaining, 205.941406 MB of memory in use. ENERGY: 1483800 741.9670 2052.1680 1969.4710 127.6673 -206760.2694 18227.0368 0.0000 0.0000 34326.9539 -149315.0053 299.7858 -183641.9592 -149226.7523 299.8919 164.3210 196.2514 557730.6184 -13.1418 -13.2915 PRESSURE: 1484000 83.6319 185.754 51.3454 185.753 -321.211 -18.9169 51.345 -18.9182 -270.459 GPRESSURE: 1484000 65.488 195.118 57.2355 227.787 -299.78 25.6927 -26.3757 -1.32163 -182.393 PRESSAVG: 1484000 43.4564 68.7171 45.4764 68.7172 17.8121 -10.411 45.4763 -10.4108 -19.7953 GPRESSAVG: 1484000 43.6961 69.5031 46.2536 66.7461 16.7912 -10.594 44.4074 -10.5658 -19.0289 TIMING: 1484000 CPU: 4413.12, 0.00297539/step Wall: 4413.12, 0.00297539/step, 2.90597 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: 1484000 767.4506 2131.6708 1959.5935 100.9970 -206123.9023 17568.7568 0.0000 0.0000 34415.3788 -149180.0549 300.5581 -183595.4337 -149087.1670 299.2194 -169.3460 -138.8949 557131.2541 13.8244 13.8195 PRESSURE: 1484200 -33.8703 173.136 -41.58 173.136 197.326 57.1384 -41.5795 57.1379 0.437318 GPRESSURE: 1484200 -31.6206 126.111 32.3602 220.137 205.717 26.6901 -81.6893 51.0375 77.9059 PRESSAVG: 1484200 -3.41443 -26.3078 94.0192 -26.3078 1.60387 -16.4144 94.0191 -16.4144 23.5832 GPRESSAVG: 1484200 -3.03299 -26.4788 96.1842 -26.2411 2.4944 -15.8966 92.6542 -19.0832 22.6606 TIMING: 1484200 CPU: 4413.72, 0.00298533/step Wall: 4413.72, 0.00298533/step, 2.91551 hours remaining, 205.941406 MB of memory in use. ENERGY: 1484200 702.2898 2136.8609 1944.4685 117.1661 -206109.3385 17680.0171 0.0000 0.0000 34214.8112 -149313.7248 298.8065 -183528.5361 -149217.0537 299.4683 54.6311 84.0008 556589.6139 7.2576 7.3740 LDB: ============= START OF LOAD BALANCING ============== 4417.15 LDB: ============== END OF LOAD BALANCING =============== 4417.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4417.15 LDB: ============= START OF LOAD BALANCING ============== 4417.45 LDB: Largest compute 4847 load 0.025002 is 21.2% of average load 0.118054 LDB: Average compute 0.001713 is 1.5% of average load 0.118054 LDB: TIME 4417.46 LOAD: AVG 0.118054 MAX 0.202333 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 4417.46 LOAD: AVG 0.118054 MAX 0.202333 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 4417.46 LOAD: AVG 0.118054 MAX 0.202333 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4417.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4417.46 PRESSURE: 1484400 16.1883 -75.2585 126.42 -75.2578 -20.0745 -118.607 126.421 -118.607 72.944 GPRESSURE: 1484400 105.798 -64.198 118.434 -67.2068 -36.5704 -164.451 176.797 -154.103 97.5369 PRESSAVG: 1484400 -21.974 -18.4705 7.177 -18.4704 22.2937 6.39995 7.17701 6.39987 20.6805 GPRESSAVG: 1484400 -21.6484 -18.6371 6.49923 -19.6178 21.6313 7.5928 7.86199 6.95394 20.6924 TIMING: 1484400 CPU: 4414.33, 0.00306058/step Wall: 4414.33, 0.00306058/step, 2.98883 hours remaining, 206.199219 MB of memory in use. ENERGY: 1484400 756.5575 2031.4175 1954.1990 115.7943 -206173.1305 17884.4619 0.0000 0.0000 34048.1295 -149382.5709 297.3508 -183430.7004 -149279.1898 298.8037 23.0193 55.5882 557720.1378 7.0000 6.8918 PRESSURE: 1484600 -142.97 -47.0698 -64.9588 -47.0696 -150.176 -212.036 -64.9592 -212.036 187.517 GPRESSURE: 1484600 -167.456 19.664 -88.5321 -64.5173 -101.437 -155.515 -45.4588 -184.45 256.712 PRESSAVG: 1484600 -10.2708 -61.6078 -31.7235 -61.6079 20.3731 -12.4459 -31.7235 -12.446 -4.14968 GPRESSAVG: 1484600 -11.0362 -63.2407 -31.6124 -60.4395 20.2856 -15.2988 -32.7154 -12.7091 -2.84551 TIMING: 1484600 CPU: 4414.94, 0.0030198/step Wall: 4414.94, 0.0030198/step, 2.94884 hours remaining, 206.402344 MB of memory in use. ENERGY: 1484600 746.0283 2056.9528 1943.0914 117.0573 -206201.5188 17693.4067 0.0000 0.0000 34230.9225 -149414.0598 298.9472 -183644.9823 -149317.2231 298.4213 -35.2093 -4.0602 556752.6067 1.9842 2.1346 PRESSURE: 1484800 54.5245 37.6928 -15.5695 37.6934 -12.0952 4.46003 -15.57 4.46036 96.8906 GPRESSURE: 1484800 80.3147 3.7697 2.7848 67.126 49.1923 5.16016 -19.6269 32.9045 115.187 PRESSAVG: 1484800 -62.6691 8.66268 34.0069 8.66274 32.1877 -19.4756 34.0069 -19.4757 37.2708 GPRESSAVG: 1484800 -61.3638 9.5076 30.5793 8.59192 31.9135 -18.2617 36.2763 -21.1234 36.6691 TIMING: 1484800 CPU: 4415.54, 0.00299325/step Wall: 4415.54, 0.00299325/step, 2.92274 hours remaining, 206.402344 MB of memory in use. ENERGY: 1484800 713.5864 2113.8863 1964.6483 114.1823 -206038.5020 17675.1545 0.0000 0.0000 34167.5047 -149289.5395 298.3933 -183457.0442 -149190.8571 299.2621 46.4399 81.5647 556243.6628 2.2631 2.4063 PRESSURE: 1485000 -31.6316 47.1253 -91.2649 47.1253 145.523 73.8137 -91.2643 73.8137 91.6169 GPRESSURE: 1485000 -3.38432 31.0229 -91.1118 48.2965 133.827 87.488 -88.9343 51.1865 165.77 PRESSAVG: 1485000 -24.2547 -14.5069 6.11553 -14.5068 34.8385 -16.6013 6.11554 -16.6012 -10.3567 GPRESSAVG: 1485000 -24.3157 -12.9285 8.49544 -14.8923 35.4623 -17.2354 4.51822 -14.4818 -10.7744 TIMING: 1485000 CPU: 4416.13, 0.00297928/step Wall: 4416.13, 0.00297928/step, 2.90893 hours remaining, 206.402344 MB of memory in use. ENERGY: 1485000 740.4624 2091.9849 1945.2184 100.9708 -206196.4832 17827.4950 0.0000 0.0000 34152.4088 -149337.9427 298.2615 -183490.3515 -149238.2568 298.5593 68.5028 98.7376 556725.7012 0.0757 0.1241 PRESSURE: 1485200 81.9151 62.4579 71.7014 62.459 -64.5725 2.1696 71.7017 2.17128 -52.0442 GPRESSURE: 1485200 92.418 119.015 43.8135 32.9126 -42.4174 64.4338 80.9019 -12.7641 3.57519 PRESSAVG: 1485200 -38.2684 15.3062 28.429 15.3062 -3.42906 24.3345 28.4292 24.3344 -9.8701 GPRESSAVG: 1485200 -38.6439 14.1609 30.0801 16.5927 -3.98372 26.6615 29.5921 24.5907 -9.35657 TIMING: 1485200 CPU: 4416.73, 0.0029715/step Wall: 4416.73, 0.0029715/step, 2.90118 hours remaining, 206.402344 MB of memory in use. ENERGY: 1485200 723.6170 2082.0841 1947.1272 121.7355 -206206.8252 17694.8519 0.0000 0.0000 34319.3412 -149318.0683 299.7193 -183637.4094 -149221.8943 299.4281 -11.5672 17.8586 556506.4085 -17.1892 -17.3280 PRESSURE: 1485400 82.5738 57.6652 45.9583 57.6647 43.0075 46.0306 45.9595 46.031 -63.5962 GPRESSURE: 1485400 136.88 107.912 8.69622 19.9876 97.7466 -66.9637 8.82476 52.5772 -71.5665 PRESSAVG: 1485400 -19.5728 69.1438 81.6739 69.1439 12.0341 25.0721 81.6738 25.072 34.629 GPRESSAVG: 1485400 -18.5399 67.9395 80.5165 69.9305 11.7902 24.6927 80.7206 25.4165 34.4481 TIMING: 1485400 CPU: 4417.32, 0.00295496/step Wall: 4417.32, 0.00295496/step, 2.88486 hours remaining, 206.402344 MB of memory in use. ENERGY: 1485400 750.8756 2079.5200 1939.6537 110.6505 -206085.3828 17642.2332 0.0000 0.0000 34301.4022 -149261.0476 299.5627 -183562.4499 -149165.4638 299.2096 20.6617 54.3533 556155.7385 9.0301 9.2328 PRESSURE: 1485600 -312.88 -34.2531 -143.095 -34.2547 -217.351 51.6211 -143.095 51.6206 -421.556 GPRESSURE: 1485600 -267.188 -8.31316 -120.779 23.3263 -170.515 77.649 -195.105 55.413 -418.016 PRESSAVG: 1485600 -15.77 40.6184 41.8414 40.6184 1.03375 -42.0836 41.8413 -42.0836 -2.95413 GPRESSAVG: 1485600 -16.5295 42.779 41.1998 39.8763 1.93483 -40.93 41.2204 -43.4963 -3.78611 TIMING: 1485600 CPU: 4417.9, 0.0029263/step Wall: 4417.9, 0.0029263/step, 2.85672 hours remaining, 206.402344 MB of memory in use. ENERGY: 1485600 769.3112 2069.1192 1935.3295 112.8673 -205949.7486 17347.3062 0.0000 0.0000 34415.1875 -149300.6276 300.5564 -183715.8151 -149205.2473 299.4309 -317.2620 -285.2397 557880.2752 -5.8968 -6.1269 PRESSURE: 1485800 -70.0541 -66.5118 101.525 -66.511 13.0755 -90.3693 101.525 -90.3693 152.195 GPRESSURE: 1485800 -49.0152 -149.195 213.097 -20.6942 29.2229 10.4518 12.321 -104.886 199.741 PRESSAVG: 1485800 22.8173 4.8225 -9.61412 4.82258 23.3921 22.1796 -9.61402 22.1796 -73.2015 GPRESSAVG: 1485800 22.6939 4.82676 -8.26963 4.09075 22.6226 20.6685 -6.00168 23.3107 -72.2344 TIMING: 1485800 CPU: 4418.49, 0.00295332/step Wall: 4418.49, 0.00295332/step, 2.88293 hours remaining, 206.402344 MB of memory in use. ENERGY: 1485800 788.4544 2094.7341 1940.4180 113.6215 -206408.8612 17891.4868 0.0000 0.0000 34193.6845 -149386.4618 298.6220 -183580.1463 -149296.8184 299.0836 31.7387 59.9830 555582.4241 -8.9973 -8.9726 PRESSURE: 1486000 -106.699 74.3496 -122.979 74.3507 -210.679 65.0558 -122.978 65.0578 30.0627 GPRESSURE: 1486000 -84.6228 90.8546 -54.2515 22.4495 -179.833 96.0213 -200.049 7.75378 72.8283 PRESSAVG: 1486000 21.9396 -54.9097 -38.361 -54.9098 -37.7293 3.74126 -38.3609 3.74138 25.8824 GPRESSAVG: 1486000 21.9155 -55.128 -39.0416 -55.0846 -37.5877 4.46293 -40.784 2.7751 26.0937 TIMING: 1486000 CPU: 4419.09, 0.00296396/step Wall: 4419.09, 0.00296396/step, 2.89315 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: 1486000 708.1945 2058.4720 1960.6262 120.2411 -206290.3218 17744.3979 0.0000 0.0000 34171.9999 -149526.3903 298.4326 -183698.3902 -149429.3294 299.0276 -95.7717 -63.8757 557551.3081 3.3642 3.4738 PRESSURE: 1486200 80.722 86.4054 5.48498 86.4056 -14.4924 -49.5866 5.48491 -49.5851 -76.5276 GPRESSURE: 1486200 79.0029 155.466 -9.23305 38.3617 54.9729 -2.59493 -42.7515 -75.5611 -38.4402 PRESSAVG: 1486200 52.8313 65.7812 -35.8992 65.7811 24.4822 33.6692 -35.8992 33.6692 -8.83907 GPRESSAVG: 1486200 53.2755 65.939 -36.1643 64.8131 24.3662 34.5853 -37.1881 33.2956 -9.25131 TIMING: 1486200 CPU: 4419.68, 0.00298718/step Wall: 4419.68, 0.00298718/step, 2.91565 hours remaining, 206.402344 MB of memory in use. ENERGY: 1486200 772.7481 2011.3848 1958.9539 112.4611 -206600.2426 18029.4110 0.0000 0.0000 34300.9705 -149414.3132 299.5589 -183715.2837 -149316.1251 298.6969 -3.4327 31.8452 557103.2568 22.8248 22.7968 PRESSURE: 1486400 -38.7432 -210.821 -24.8651 -210.82 113.395 -102.162 -24.8634 -102.162 125.523 GPRESSURE: 1486400 -9.14632 -70.5305 -55.1785 -169.802 134.939 -139.269 40.3711 -108.354 171.325 PRESSAVG: 1486400 -15.9094 -7.12907 7.32034 -7.12897 -16.7986 4.87225 7.32032 4.87219 11.4081 GPRESSAVG: 1486400 -15.5861 -7.48946 7.28429 -5.50849 -16.3886 3.93461 10.1463 3.685 10.6055 TIMING: 1486400 CPU: 4420.28, 0.00299161/step Wall: 4420.28, 0.00299161/step, 2.91981 hours remaining, 206.402344 MB of memory in use. ENERGY: 1486400 731.9667 2031.0812 1952.2890 115.0531 -206340.6715 17982.1738 0.0000 0.0000 34085.4646 -149442.6431 297.6768 -183528.1077 -149348.8474 299.1117 66.7251 99.0392 556424.1437 -7.1000 -7.1231 PRESSURE: 1486600 243.823 68.6681 -123.309 68.6678 112.349 127.419 -123.31 127.418 13.4717 GPRESSURE: 1486600 209.154 5.02015 -146.102 140.912 141.6 136.858 -169.57 158.389 113.399 PRESSAVG: 1486600 16.119 -1.97692 11.6814 -1.97699 -12.4234 -49.859 11.6814 -49.8589 -2.08774 GPRESSAVG: 1486600 15.2182 -2.16985 11.3534 -1.63283 -13.0502 -50.2381 10.0542 -48.3883 -1.00916 TIMING: 1486600 CPU: 4420.88, 0.00300071/step Wall: 4420.88, 0.00300071/step, 2.92852 hours remaining, 206.402344 MB of memory in use. ENERGY: 1486600 740.0498 2061.0468 1941.6516 108.2710 -206576.0024 17976.4204 0.0000 0.0000 34136.9775 -149611.5854 298.1267 -183748.5629 -149512.3166 298.5561 123.2148 154.7175 555362.6624 0.5360 0.3863 PRESSURE: 1486800 -57.2785 48.2773 136.377 48.2772 106.662 -122.435 136.377 -122.434 96.5351 GPRESSURE: 1486800 -20.2303 -5.72801 78.9353 65.4362 107.683 -28.9335 110.608 -15.0797 151.821 PRESSAVG: 1486800 -55.2923 40.3625 -14.3504 40.3626 74.778 5.68978 -14.3505 5.68989 -12.402 GPRESSAVG: 1486800 -54.0148 39.3509 -14.4871 42.3129 74.3956 8.59816 -13.9325 5.75476 -13.5673 TIMING: 1486800 CPU: 4421.47, 0.00296249/step Wall: 4421.47, 0.00296249/step, 2.89106 hours remaining, 206.402344 MB of memory in use. ENERGY: 1486800 753.4735 2052.5096 1971.2736 114.6708 -206627.2730 18056.5789 0.0000 0.0000 33982.2421 -149696.5245 296.7754 -183678.7667 -149598.4669 297.6739 48.6396 79.7578 555819.5143 2.3612 2.2712 PRESSURE: 1487000 -32.6601 -108.931 -56.8279 -108.931 44.1951 -16.8609 -56.8279 -16.8611 25.4987 GPRESSURE: 1487000 36.04 -57.3706 -90.0961 -68.4593 92.364 -58.0093 -118.447 14.4927 -2.66321 PRESSAVG: 1487000 8.95169 4.89694 -26.9215 4.89698 16.2099 -40.8578 -26.9215 -40.8578 -20.3639 GPRESSAVG: 1487000 7.3817 7.43871 -28.5234 2.39422 17.2028 -42.2086 -26.6446 -39.6988 -20.1961 TIMING: 1487000 CPU: 4422.07, 0.00297772/step Wall: 4422.07, 0.00297772/step, 2.90576 hours remaining, 206.402344 MB of memory in use. ENERGY: 1487000 728.0034 2045.0324 1947.0811 110.7975 -206496.4002 17824.4697 0.0000 0.0000 34167.7958 -149673.2203 298.3959 -183841.0161 -149582.9628 297.1090 12.3446 41.9136 555675.4525 1.5992 1.4628 PRESSURE: 1487200 93.4319 58.3119 130.83 58.312 -21.8323 5.16062 130.83 5.15909 -37.0636 GPRESSURE: 1487200 109.012 98.3454 210.054 64.6638 -9.15445 86.3731 61.4689 -76.479 31.5951 PRESSAVG: 1487200 63.2678 -40.362 10.6706 -40.362 -12.8544 -18.6402 10.6706 -18.6402 -30.9957 GPRESSAVG: 1487200 63.9487 -41.6287 13.6152 -42.208 -14.0905 -19.1343 9.62529 -19.3301 -30.567 TIMING: 1487200 CPU: 4422.66, 0.00296528/step Wall: 4422.66, 0.00296528/step, 2.89346 hours remaining, 206.402344 MB of memory in use. ENERGY: 1487200 724.6881 2021.2455 1961.5467 108.0024 -206160.3163 17685.0501 0.0000 0.0000 34095.3755 -149564.4080 297.7634 -183659.7834 -149472.3827 298.4046 11.5120 43.8175 556993.4770 6.4726 6.4304 PRESSURE: 1487400 -179.862 61.8312 -230.831 61.8317 -253.657 -65.9849 -230.83 -65.9845 -112.473 GPRESSURE: 1487400 -142.968 62.6172 -238.014 -2.32064 -152.527 -157.18 -197.71 17.1297 -147.706 PRESSAVG: 1487400 -21.2534 -49.7864 -40.2136 -49.7864 -3.69708 -17.0927 -40.2135 -17.0927 23.0912 GPRESSAVG: 1487400 -20.8054 -51.3127 -42.2262 -47.7121 -2.8043 -17.2399 -40.5238 -17.411 21.4384 TIMING: 1487400 CPU: 4423.25, 0.00295154/step Wall: 4423.25, 0.00295154/step, 2.87989 hours remaining, 206.402344 MB of memory in use. ENERGY: 1487400 759.5596 2033.6925 1977.1654 122.1659 -206300.1081 17495.7535 0.0000 0.0000 34041.8313 -149869.9399 297.2958 -183911.7712 -149769.8758 297.8300 -181.9971 -147.7338 556723.8357 -0.6198 -0.7238 PRESSURE: 1487600 224.774 82.8103 -34.0198 82.8101 -20.6359 147.109 -34.0184 147.11 -44.2991 GPRESSURE: 1487600 238.403 82.5674 78.8349 43.0965 14.3183 108.561 -43.4094 21.3591 6.89114 PRESSAVG: 1487600 30.8042 -24.8466 -77.7207 -24.8466 25.3739 13.3201 -77.7207 13.32 -59.9281 GPRESSAVG: 1487600 31.0283 -22.9895 -77.2268 -25.1006 24.4032 12.5284 -77.3824 13.5051 -59.7039 TIMING: 1487600 CPU: 4423.85, 0.0029642/step Wall: 4423.85, 0.0029642/step, 2.89208 hours remaining, 206.402344 MB of memory in use. ENERGY: 1487600 730.3758 2047.7750 1945.5107 104.5052 -206767.3137 18094.0857 0.0000 0.0000 34134.9477 -149710.1136 298.1090 -183845.0613 -149615.7980 297.1633 53.2796 86.5374 556464.8937 -1.2500 -1.4241 PRESSURE: 1487800 57.5337 63.343 155.499 63.342 -164.075 -160.699 155.497 -160.698 78.5723 GPRESSURE: 1487800 114.879 20.0803 180.912 29.8055 -133.966 -31.0331 118.493 -167.954 89.3422 PRESSAVG: 1487800 37.8045 13.9066 9.90244 13.9067 -19.8839 -44.7752 9.90233 -44.7753 -12.7776 GPRESSAVG: 1487800 36.7918 12.6493 10.8592 14.6464 -20.3911 -44.3079 9.05982 -43.5427 -12.0695 TIMING: 1487800 CPU: 4424.44, 0.00295364/step Wall: 4424.44, 0.00295364/step, 2.8816 hours remaining, 206.402344 MB of memory in use. ENERGY: 1487800 742.4347 2056.3628 1934.0579 106.2838 -206509.0966 17734.5601 0.0000 0.0000 34207.3839 -149728.0133 298.7416 -183935.3972 -149630.4987 296.9183 -9.3230 23.4185 556231.4011 1.7144 1.4437 PRESSURE: 1488000 -83.5554 -13.587 90.7713 -13.5849 106.777 -10.2839 90.7702 -10.2838 -125.635 GPRESSURE: 1488000 -21.2155 24.653 27.2946 23.3054 82.5982 25.6813 38.057 -53.7717 -82.936 PRESSAVG: 1488000 71.8267 -13.0692 -12.9773 -13.0693 -72.4565 -7.76854 -12.9773 -7.76871 -25.2704 GPRESSAVG: 1488000 73.2347 -12.5956 -11.8833 -14.05 -73.5948 -7.19207 -12.5607 -9.29363 -25.4184 TIMING: 1488000 CPU: 4425.03, 0.00295778/step Wall: 4425.03, 0.00295778/step, 2.88548 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: 1488000 730.2721 2093.4599 1973.4665 95.1266 -206387.1205 17660.5382 0.0000 0.0000 34219.4800 -149614.7772 298.8472 -183834.2572 -149521.9154 297.9576 -34.1377 -7.1844 557280.1681 -8.6334 -8.5928 PRESSURE: 1488200 -55.4901 -12.3178 78.5759 -12.3187 182.06 -71.7889 78.5762 -71.7899 202.873 GPRESSURE: 1488200 30.7469 -34.1114 68.7204 -15.6219 210.63 -63.9708 130.77 -121.8 177.636 PRESSAVG: 1488200 -35.9852 63.7878 12.7558 63.7877 60.5698 -4.48896 12.7558 -4.48902 6.85565 GPRESSAVG: 1488200 -36.7735 64.402 11.7603 60.7773 60.9417 -7.21651 13.859 -1.62281 7.12531 TIMING: 1488200 CPU: 4425.63, 0.00299349/step Wall: 4425.63, 0.00299349/step, 2.92015 hours remaining, 206.402344 MB of memory in use. ENERGY: 1488200 713.3536 2065.4356 1982.1307 126.3262 -206650.9060 17998.2538 0.0000 0.0000 34332.0983 -149433.3079 299.8308 -183765.4062 -149334.8804 299.0361 109.8145 139.6708 556556.9037 10.4801 10.4312 LDB: ============= START OF LOAD BALANCING ============== 4429.06 LDB: ============== END OF LOAD BALANCING =============== 4429.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4429.06 LDB: ============= START OF LOAD BALANCING ============== 4429.36 LDB: Largest compute 4847 load 0.025810 is 21.9% of average load 0.118033 LDB: Average compute 0.001719 is 1.5% of average load 0.118033 LDB: TIME 4429.36 LOAD: AVG 0.118033 MAX 0.20174 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 4429.36 LOAD: AVG 0.118033 MAX 0.20174 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: TIME 4429.36 LOAD: AVG 0.118033 MAX 0.20174 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4429.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4429.37 PRESSURE: 1488400 -19.0184 46.999 -71.7375 46.9996 -74.6732 51.8018 -71.7377 51.8018 197.366 GPRESSURE: 1488400 -15.7757 36.6359 -135.956 61.1772 12.3959 14.8911 -99.0041 70.6544 211.924 PRESSAVG: 1488400 -24.224 11.5044 -54.0631 11.5045 31.676 -13.8575 -54.0631 -13.8576 -30.4248 GPRESSAVG: 1488400 -24.3403 11.2925 -52.8198 14.4203 32.5823 -9.93268 -56.17 -16.7847 -31.2714 TIMING: 1488400 CPU: 4426.24, 0.00306186/step Wall: 4426.24, 0.00306186/step, 2.98667 hours remaining, 205.941406 MB of memory in use. ENERGY: 1488400 722.6607 2046.4259 1996.7117 108.6923 -206434.6078 17986.8181 0.0000 0.0000 34032.0074 -149541.2917 297.2100 -183573.2991 -149451.5045 298.5455 34.5581 69.5148 557940.6232 -7.6576 -7.6765 PRESSURE: 1488600 -318.448 -26.5931 33.3114 -26.5944 -222.814 -127.77 33.3118 -127.768 148.923 GPRESSURE: 1488600 -266.905 -10.1357 27.217 -47.3245 -192.544 -48.5906 38.3706 -181.327 163.255 PRESSAVG: 1488600 3.67 -27.8374 0.479458 -27.8374 40.2099 29.4542 0.479407 29.4543 -36.6544 GPRESSAVG: 1488600 4.14577 -26.9867 -2.13829 -28.7365 38.9569 27.6185 0.724641 29.9349 -35.7802 TIMING: 1488600 CPU: 4426.83, 0.00296472/step Wall: 4426.83, 0.00296472/step, 2.89175 hours remaining, 206.144531 MB of memory in use. ENERGY: 1488600 745.0943 2037.5123 1962.1503 127.8986 -206400.0440 17787.2184 0.0000 0.0000 34121.2842 -149618.8858 297.9897 -183740.1700 -149512.2793 298.2906 -130.7798 -98.7315 557398.0242 2.4085 2.4408 PRESSURE: 1488800 -187.95 36.4164 19.8518 36.4152 -241.813 -132.465 19.8516 -132.465 70.0485 GPRESSURE: 1488800 -177.695 68.5804 77.8121 68.0871 -238.892 -139.556 17.0334 -158.23 150.699 PRESSAVG: 1488800 2.09668 -4.58835 15.766 -4.5883 -10.5988 18.0932 15.7661 18.0932 34.7441 GPRESSAVG: 1488800 1.61991 -5.12215 14.5022 -6.21163 -10.2014 17.741 19.7373 18.5831 35.0083 TIMING: 1488800 CPU: 4427.43, 0.0029845/step Wall: 4427.43, 0.0029845/step, 2.91088 hours remaining, 206.144531 MB of memory in use. ENERGY: 1488800 737.4279 2053.6243 1973.8522 115.5961 -206279.6111 17707.7433 0.0000 0.0000 34057.1949 -149634.1724 297.4300 -183691.3673 -149532.6243 298.7834 -119.9050 -88.6296 555949.7325 8.7473 8.8089 PRESSURE: 1489000 341.563 -4.92454 17.3404 -4.92444 69.4331 -103.247 17.3418 -103.246 23.5361 GPRESSURE: 1489000 393.135 -19.5478 -10.9258 -145.42 103.669 -58.6094 13.8901 -106.971 31.5839 PRESSAVG: 1489000 55.4051 9.91679 0.490326 9.91682 -43.5109 -37.1913 0.490286 -37.1912 17.8861 GPRESSAVG: 1489000 54.6847 9.59821 3.93765 11.6911 -41.9631 -35.2387 -3.27685 -38.9316 17.2228 TIMING: 1489000 CPU: 4428.03, 0.00299866/step Wall: 4428.03, 0.00299866/step, 2.92453 hours remaining, 206.144531 MB of memory in use. ENERGY: 1489000 675.4820 2049.8439 1964.3049 100.4301 -206332.0440 17973.7920 0.0000 0.0000 34028.3542 -149539.8368 297.1781 -183568.1911 -149445.5015 298.2764 144.8439 176.1295 556524.2708 9.9268 9.9815 PRESSURE: 1489200 104.293 -4.38937 -1.53163 -4.38793 -166.443 9.35423 -1.53236 9.35348 -56.9468 GPRESSURE: 1489200 110.756 -70.9531 70.5549 -21.3617 -70.1325 3.00702 -30.9682 59.6076 -68.8078 PRESSAVG: 1489200 53.9423 -31.995 -54.4477 -31.995 -65.3182 28.2485 -54.4478 28.2485 -7.56206 GPRESSAVG: 1489200 53.207 -32.8114 -54.8923 -33.2584 -65.866 26.28 -52.6146 28.7869 -6.33368 TIMING: 1489200 CPU: 4428.62, 0.00297785/step Wall: 4428.62, 0.00297785/step, 2.90406 hours remaining, 206.144531 MB of memory in use. ENERGY: 1489200 762.2952 2058.3527 1940.3410 109.3343 -206382.0220 17655.5218 0.0000 0.0000 34307.7831 -149548.3938 299.6184 -183856.1770 -149453.2670 298.4477 -39.6987 -9.3949 555949.8636 -6.3127 -6.3309 PRESSURE: 1489400 8.98337 14.3834 18.7499 14.384 -223.164 -143.984 18.7498 -143.984 277.176 GPRESSURE: 1489400 86.1144 161.94 53.9585 -53.6294 -132.009 -69.7361 -0.992866 -150.278 206.694 PRESSAVG: 1489400 38.844 -1.68234 -34.0409 -1.68239 3.89959 -54.6956 -34.0409 -54.6957 -23.0064 GPRESSAVG: 1489400 39.6399 -1.58175 -33.1853 0.210758 4.45804 -54.9509 -35.8078 -53.2414 -24.3936 TIMING: 1489400 CPU: 4429.22, 0.0029788/step Wall: 4429.22, 0.0029788/step, 2.90482 hours remaining, 206.144531 MB of memory in use. ENERGY: 1489400 757.3840 2047.9054 1955.1288 104.0278 -206550.4198 17906.3319 0.0000 0.0000 34152.9412 -149626.7007 298.2661 -183779.6419 -149529.2514 299.1527 20.9986 53.5997 556152.9085 6.5791 6.5681 PRESSURE: 1489600 -123.241 -36.7033 -183.608 -36.7035 39.3975 -1.1428 -183.608 -1.14432 34.4259 GPRESSURE: 1489600 -67.1149 16.8002 -153.328 61.6253 69.9188 40.5712 -184.609 13.7462 53.5262 PRESSAVG: 1489600 -27.0686 28.3496 -48.2406 28.3496 3.61472 -8.00628 -48.2406 -8.00626 1.89921 GPRESSAVG: 1489600 -27.3787 28.6176 -47.757 30.0541 2.48124 -6.91965 -48.2484 -9.18423 3.15982 TIMING: 1489600 CPU: 4429.82, 0.00297785/step Wall: 4429.82, 0.00297785/step, 2.90373 hours remaining, 206.144531 MB of memory in use. ENERGY: 1489600 738.1495 2088.3289 1958.0621 109.6214 -206710.6646 17941.7462 0.0000 0.0000 34270.4375 -149604.3190 299.2923 -183874.7565 -149506.4582 298.7487 -16.4724 18.7767 555817.3244 -7.1849 -7.2459 PRESSURE: 1489800 -267.784 -1.40829 -130.233 -1.40913 80.5686 -5.11329 -130.231 -5.11134 16.0179 GPRESSURE: 1489800 -205.998 -4.47924 -166.268 -60.282 69.4269 39.6662 -121.484 -52.136 64.116 PRESSAVG: 1489800 -63.5378 36.9138 -2.7357 36.9137 115.176 -3.86082 -2.73574 -3.86088 0.532924 GPRESSAVG: 1489800 -63.8547 37.3594 -3.39711 32.8855 116.056 -3.5375 -1.28499 -3.54528 -0.0491286 TIMING: 1489800 CPU: 4430.41, 0.00298722/step Wall: 4430.41, 0.00298722/step, 2.9127 hours remaining, 206.144531 MB of memory in use. ENERGY: 1489800 768.8889 2077.0507 1972.9379 107.6289 -206824.9218 17909.3952 0.0000 0.0000 34256.8322 -149732.1882 299.1734 -183989.0203 -149634.3581 298.1188 -57.0659 -24.1518 556312.4860 17.3904 17.3840 PRESSURE: 1490000 321.343 -133.286 126.419 -133.288 -61.2432 -7.11852 126.419 -7.11803 38.4616 GPRESSURE: 1490000 318.957 -206.591 140.52 -144.603 3.87131 122.343 125.308 25.9346 79.7205 PRESSAVG: 1490000 -40.0797 -52.6716 -70.1087 -52.6715 -41.6885 55.6869 -70.1086 55.6869 43.0116 GPRESSAVG: 1490000 -40.2465 -52.2101 -69.7016 -52.5795 -40.6961 55.7018 -69.3038 55.7456 42.3484 TIMING: 1490000 CPU: 4431.01, 0.00296582/step Wall: 4431.01, 0.00296582/step, 2.89168 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: 1490000 725.4680 2023.5233 1924.2422 115.9542 -207106.2124 18222.8025 0.0000 0.0000 34327.5451 -149766.6771 299.7910 -184094.2222 -149666.7930 297.7562 99.5205 134.1830 555977.0133 -12.9189 -12.8647 PRESSURE: 1490200 -184.097 -43.3163 -42.1455 -43.3168 -76.4504 154.6 -42.1455 154.6 -230.238 GPRESSURE: 1490200 -201.596 43.5174 -55.5183 -69.9502 -64.5486 124.399 -48.085 110.113 -126.478 PRESSAVG: 1490200 -46.8746 5.36127 -23.9728 5.3612 12.904 11.8557 -23.9729 11.8559 29.8834 GPRESSAVG: 1490200 -46.5067 6.90931 -25.308 4.48752 12.7097 9.83943 -23.5637 12.8187 29.9378 TIMING: 1490200 CPU: 4431.6, 0.00295683/step Wall: 4431.6, 0.00295683/step, 2.88275 hours remaining, 206.144531 MB of memory in use. ENERGY: 1490200 713.8999 2050.3372 1967.1544 114.6964 -206184.8636 17636.4680 0.0000 0.0000 34043.1874 -149659.1203 297.3076 -183702.3077 -149565.2989 298.4644 -163.5951 -130.8742 557599.5613 -1.3624 -1.2864 PRESSURE: 1490400 27.5668 48.8973 -53.7599 48.8976 -58.5114 -35.4898 -53.7602 -35.4896 -15.6556 GPRESSURE: 1490400 37.4269 8.76534 -32.4833 33.409 -38.6724 -61.5461 -73.0929 -67.146 43.062 PRESSAVG: 1490400 28.3168 -57.2028 16.5702 -57.2029 1.55225 15.0072 16.5703 15.0072 37.6586 GPRESSAVG: 1490400 28.5943 -59.2609 18.1596 -56.9934 1.89641 16.5002 14.9199 14.3082 36.3606 TIMING: 1490400 CPU: 4432.19, 0.00296863/step Wall: 4432.19, 0.00296863/step, 2.89409 hours remaining, 206.144531 MB of memory in use. ENERGY: 1490400 786.8125 2036.2945 1977.8292 113.5453 -206389.4015 17688.2585 0.0000 0.0000 33903.4250 -149883.2366 296.0870 -183786.6616 -149786.8604 297.7459 -15.5334 13.9388 555648.0763 22.5092 22.2838 PRESSURE: 1490600 -26.5313 -71.3334 41.962 -71.3328 212.891 -215.708 41.9611 -215.707 -118.477 GPRESSURE: 1490600 37.4905 -150.229 -40.8587 -86.1743 194.653 -242.345 74.4913 -194.655 -67.3217 PRESSAVG: 1490600 -26.6966 7.56889 -25.212 7.56886 -62.145 46.4432 -25.212 46.4431 72.1882 GPRESSAVG: 1490600 -26.1418 6.83625 -25.792 9.33853 -63.3272 46.0273 -23.1448 46.6707 72.161 TIMING: 1490600 CPU: 4432.78, 0.00294898/step Wall: 4432.78, 0.00294898/step, 2.87476 hours remaining, 206.144531 MB of memory in use. ENERGY: 1490600 723.9836 2054.2422 1972.5969 110.7071 -206411.1518 17866.3770 0.0000 0.0000 34016.3224 -149666.9225 297.0730 -183683.2449 -149570.7456 297.3233 22.6276 54.9406 555545.0644 -5.5511 -5.7693 PRESSURE: 1490800 45.0915 -70.4078 46.0946 -70.4092 -33.514 110.081 46.0939 110.08 14.7156 GPRESSURE: 1490800 121.411 -60.6687 -38.7739 -121.511 -33.3085 135.053 165.56 72.5862 44.2118 PRESSAVG: 1490800 26.6956 -30.9117 -0.209597 -30.9117 6.21886 -35.3235 -0.20961 -35.3236 -6.30442 GPRESSAVG: 1490800 24.5653 -29.3536 -1.57355 -33.0862 7.49337 -35.3851 -1.19507 -37.2305 -5.28426 TIMING: 1490800 CPU: 4433.37, 0.00295683/step Wall: 4433.37, 0.00295683/step, 2.88225 hours remaining, 206.144531 MB of memory in use. ENERGY: 1490800 770.0129 2000.8425 1959.2662 106.7513 -206680.1864 18076.7766 0.0000 0.0000 34244.0192 -149522.5177 299.0615 -183766.5369 -149426.0007 298.1752 8.7644 44.1048 556469.6004 8.8700 8.9248 PRESSURE: 1491000 -249.16 -19.7442 -33.0641 -19.7426 -194.776 43.4982 -33.0658 43.5001 -237.236 GPRESSURE: 1491000 -243.7 -22.7247 10.396 -117.704 -124.239 39.3362 -76.342 43.6777 -207.694 PRESSAVG: 1491000 -51.9753 -86.1282 -6.09077 -86.1281 48.2284 37.0146 -6.09076 37.0146 -15.1401 GPRESSAVG: 1491000 -50.6968 -86.9226 -4.10864 -86.749 47.9194 37.1889 -7.14964 39.258 -16.2506 TIMING: 1491000 CPU: 4433.97, 0.00296735/step Wall: 4433.97, 0.00296735/step, 2.89234 hours remaining, 206.144531 MB of memory in use. ENERGY: 1491000 769.9132 2004.2734 1930.2430 112.5596 -206028.3941 17572.1066 0.0000 0.0000 34215.5868 -149423.7116 298.8132 -183639.2984 -149330.0068 298.6595 -227.0571 -191.8776 558683.5091 -6.2957 -6.3427 PRESSURE: 1491200 -102.498 133.355 -43.9948 133.356 154.49 41.2766 -43.9958 41.2763 -144.376 GPRESSURE: 1491200 -3.48185 114.853 -41.245 125.338 147.164 26.8045 -52.308 34.9216 -134.725 PRESSAVG: 1491200 -38.6462 -7.40615 -0.4678 -7.40619 19.9314 -50.5135 -0.467911 -50.5136 7.75142 GPRESSAVG: 1491200 -38.3713 -5.74879 -2.12777 -5.19921 19.5339 -50.3002 1.32424 -51.7801 8.61431 TIMING: 1491200 CPU: 4434.56, 0.00296847/step Wall: 4434.56, 0.00296847/step, 2.89327 hours remaining, 206.144531 MB of memory in use. ENERGY: 1491200 789.7099 2064.0745 1951.8235 122.9718 -206437.1969 17967.5800 0.0000 0.0000 34225.0349 -149316.0022 298.8957 -183541.0371 -149217.8660 298.5440 -30.7947 2.9857 557193.5679 -3.6545 -3.4077 PRESSURE: 1491400 -364.504 -2.26955 -34.7803 -2.27072 -177.126 -96.7205 -34.7808 -96.7207 34.7287 GPRESSURE: 1491400 -328.051 -40.8437 -98.2028 -24.222 -182.767 -111.843 -25.9672 -72.1651 96.3834 PRESSAVG: 1491400 -39.4534 37.5472 10.7203 37.5472 -3.76381 -33.5527 10.7203 -33.5528 57.118 GPRESSAVG: 1491400 -40.8437 35.5787 11.6594 36.8164 -3.17532 -32.8254 9.26189 -32.7645 57.6096 TIMING: 1491400 CPU: 4435.16, 0.00297834/step Wall: 4435.16, 0.00297834/step, 2.90272 hours remaining, 206.144531 MB of memory in use. ENERGY: 1491400 737.2497 2059.7226 1960.9083 115.6184 -205942.9103 17540.5060 0.0000 0.0000 34156.1870 -149372.7184 298.2945 -183528.9054 -149271.2718 299.1306 -168.9672 -138.1448 557613.6503 4.6336 4.5302 PRESSURE: 1491600 -124.577 -51.3121 -23.1349 -51.3112 -125.763 37.1595 -23.1339 37.1592 55.9077 GPRESSURE: 1491600 -52.1824 -8.49966 12.5502 -8.11441 -110.209 20.5014 -100.915 91.257 65.0165 PRESSAVG: 1491600 -47.231 -5.37196 -28.006 -5.372 -16.8721 18.5274 -28.0059 18.5272 49.4879 GPRESSAVG: 1491600 -46.6974 -3.14506 -27.0374 -5.69332 -17.7407 18.2176 -26.5997 17.4544 49.4682 TIMING: 1491600 CPU: 4435.75, 0.00296827/step Wall: 4435.75, 0.00296827/step, 2.89275 hours remaining, 206.144531 MB of memory in use. ENERGY: 1491600 710.0633 2090.7878 1934.0903 117.9345 -206217.9751 17682.9368 0.0000 0.0000 34343.5328 -149338.6296 299.9306 -183682.1625 -149245.5579 299.0500 -64.8107 -32.4584 557918.1373 -4.8717 -4.9900 PRESSURE: 1491800 -39.7696 71.7247 -117.238 71.7245 10.3609 61.1991 -117.238 61.2001 7.17197 GPRESSURE: 1491800 40.8961 90.2268 -99.5508 77.4448 8.31667 117.343 -179.132 -26.1255 21.1382 PRESSAVG: 1491800 -38.2597 3.83653 -18.7289 3.83657 2.19101 13.5428 -18.729 13.5427 -3.83501 GPRESSAVG: 1491800 -37.9662 1.97865 -17.7655 4.2302 2.0234 13.1077 -19.9822 13.3619 -4.18575 TIMING: 1491800 CPU: 4436.35, 0.00298354/step Wall: 4436.35, 0.00298354/step, 2.90745 hours remaining, 206.144531 MB of memory in use. ENERGY: 1491800 713.9861 2126.8106 1926.3999 125.5519 -206101.2303 17787.2146 0.0000 0.0000 34073.9276 -149347.3396 297.5761 -183421.2672 -149254.2215 298.3247 -7.4122 23.4503 558041.1909 -13.3012 -13.3762 PRESSURE: 1492000 -78.0903 35.3998 188.796 35.3999 133.006 -94.1882 188.796 -94.1889 -62.4188 GPRESSURE: 1492000 7.59485 -14.4261 116.741 33.7675 130.228 -6.0288 153.682 -167.756 -63.2738 PRESSAVG: 1492000 -1.34822 28.174 31.7023 28.174 15.248 18.1988 31.7023 18.1989 -0.298747 GPRESSAVG: 1492000 -1.15063 29.8823 32.0465 26.9433 15.0377 18.3287 32.8694 18.5845 -0.268788 TIMING: 1492000 CPU: 4436.94, 0.002975/step Wall: 4436.94, 0.002975/step, 2.89897 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: 1492000 748.6307 2050.2109 1960.2853 111.2182 -206483.1512 17853.9794 0.0000 0.0000 34223.6311 -149535.1957 298.8835 -183758.8268 -149442.3108 298.7955 -2.5010 24.8496 557453.4819 4.5337 4.5394 PRESSURE: 1492200 206.151 188.119 57.654 188.119 232.46 -25.4528 57.6531 -25.4533 346.326 GPRESSURE: 1492200 175.802 165.559 94.3104 156.03 310.887 16.6874 120.251 -26.2926 402.973 PRESSAVG: 1492200 27.2027 18.4664 68.9322 18.4665 -6.52101 52.068 68.9323 52.0679 -11.1723 GPRESSAVG: 1492200 27.1673 18.0305 66.932 19.2789 -6.40197 51.7692 67.5006 52.68 -10.7173 TIMING: 1492200 CPU: 4437.54, 0.00298083/step Wall: 4437.54, 0.00298083/step, 2.90449 hours remaining, 206.144531 MB of memory in use. ENERGY: 1492200 713.9300 2055.1943 1948.1012 115.2075 -206759.4141 18234.9150 0.0000 0.0000 34272.9102 -149419.1559 299.3138 -183692.0661 -149327.8757 297.9576 261.6456 296.5542 557842.0383 3.1698 3.3494 LDB: ============= START OF LOAD BALANCING ============== 4440.97 LDB: ============== END OF LOAD BALANCING =============== 4440.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4440.97 LDB: ============= START OF LOAD BALANCING ============== 4441.27 LDB: Largest compute 4847 load 0.026350 is 22.3% of average load 0.117984 LDB: Average compute 0.001705 is 1.4% of average load 0.117984 LDB: TIME 4441.27 LOAD: AVG 0.117984 MAX 0.201129 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 4441.27 LOAD: AVG 0.117984 MAX 0.201129 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.648 MB LDB: TIME 4441.27 LOAD: AVG 0.117984 MAX 0.201129 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4441.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4441.28 PRESSURE: 1492400 23.3445 254.712 10.2246 254.712 -66.1831 205.755 10.2238 205.753 -264.8 GPRESSURE: 1492400 62.612 178.597 -0.483107 157.14 -59.045 139.326 71.5544 194.367 -205.526 PRESSAVG: 1492400 50.0557 19.3787 0.48885 19.3787 -43.476 45.6774 0.488705 45.6773 25.1414 GPRESSAVG: 1492400 50.1778 19.0994 1.93716 18.9002 -44.1471 44.6675 2.13872 45.5368 25.8155 TIMING: 1492400 CPU: 4438.15, 0.00304557/step Wall: 4438.15, 0.00304557/step, 2.9674 hours remaining, 205.742188 MB of memory in use. ENERGY: 1492400 729.2021 2132.7886 1954.4063 117.9080 -206117.0639 17611.7004 0.0000 0.0000 34110.5075 -149460.5508 297.8955 -183571.0583 -149358.2940 298.1157 -102.5464 -67.3197 557949.2571 10.5737 10.6154 PRESSURE: 1492600 -152.625 56.0443 110.434 56.0446 -360.114 -117.903 110.435 -117.903 -347.836 GPRESSURE: 1492600 -111.271 26.3467 62.7631 90.1134 -338.074 -137.41 200.537 9.75798 -322.66 PRESSAVG: 1492600 38.2811 -9.71439 -11.2607 -9.71449 -30.6236 -5.68623 -11.2608 -5.68632 19.0972 GPRESSAVG: 1492600 37.5616 -8.62886 -12.7954 -9.30418 -29.9883 -6.26629 -10.7407 -4.03251 18.9915 TIMING: 1492600 CPU: 4438.75, 0.00299399/step Wall: 4438.75, 0.00299399/step, 2.91698 hours remaining, 205.945312 MB of memory in use. ENERGY: 1492600 783.1905 2063.5966 1956.8734 107.7235 -206122.0163 17603.0231 0.0000 0.0000 34145.2470 -149462.3621 298.1989 -183607.6092 -149368.5298 298.8209 -286.8580 -257.3347 558694.1363 8.9182 8.8549 PRESSURE: 1492800 -74.9206 123.117 4.35435 123.117 75.1281 251.837 4.35579 251.837 -187.732 GPRESSURE: 1492800 17.5632 135.099 -111.108 165.367 68.9694 237.8 34.17 264.103 -190.913 PRESSAVG: 1492800 28.9354 38.0443 35.8748 38.0442 -15.2539 -19.4774 35.8748 -19.4774 30.1376 GPRESSAVG: 1492800 28.6797 37.6803 36.1701 39.9568 -14.0699 -15.4636 34.7501 -20.5347 29.1853 TIMING: 1492800 CPU: 4439.35, 0.00301334/step Wall: 4439.35, 0.00301334/step, 2.93566 hours remaining, 205.945312 MB of memory in use. ENERGY: 1492800 737.2935 2134.0641 1932.8379 108.6050 -205931.5357 17705.3916 0.0000 0.0000 33969.5121 -149343.8315 296.6642 -183313.3436 -149252.5729 298.1929 -62.5081 -34.7934 556134.4490 14.6064 14.5984 PRESSURE: 1493000 -51.659 -186.464 -29.0929 -186.465 -114.606 121.051 -29.0934 121.051 36.5886 GPRESSURE: 1493000 -24.1953 -154.088 -14.4595 -208.427 -46.2692 156.564 -50.6213 134.238 33.5379 PRESSAVG: 1493000 -62.2781 -35.8753 -74.724 -35.8753 3.86425 -3.00301 -74.7239 -3.00292 40.3465 GPRESSAVG: 1493000 -62.6891 -35.7009 -74.1229 -36.9998 3.86382 -5.0901 -74.7071 -6.00752 41.1357 TIMING: 1493000 CPU: 4439.95, 0.00302409/step Wall: 4439.95, 0.00302409/step, 2.94597 hours remaining, 205.945312 MB of memory in use. ENERGY: 1493000 696.9395 2081.4714 1929.0040 114.8793 -205989.6887 17711.4900 0.0000 0.0000 34172.5198 -149283.3846 298.4371 -183455.9044 -149183.1297 298.2756 -43.2254 -12.3089 557076.5503 -6.0225 -5.8965 PRESSURE: 1493200 -365.73 -64.4436 -2.41101 -64.4427 42.5499 -25.1281 -2.4116 -25.1282 -241.372 GPRESSURE: 1493200 -295.696 27.8024 -32.754 -139.803 6.63064 19.6355 -50.9489 -44.8683 -179.785 PRESSAVG: 1493200 -15.5411 -22.6855 -51.6922 -22.6854 27.0344 -1.16467 -51.6923 -1.1646 -43.1083 GPRESSAVG: 1493200 -14.8607 -20.7128 -52.262 -24.2292 26.7979 -0.967903 -50.3578 1.41654 -44.0296 TIMING: 1493200 CPU: 4440.56, 0.00301727/step Wall: 4440.56, 0.00301727/step, 2.93915 hours remaining, 205.945312 MB of memory in use. ENERGY: 1493200 752.9419 2030.1965 1947.9218 121.5253 -205999.9057 17551.6029 0.0000 0.0000 34310.5246 -149285.1927 299.6423 -183595.7173 -149181.6386 299.1844 -188.1840 -156.2835 556950.3362 -10.5383 -10.6975 PRESSURE: 1493400 -177.181 -224.002 -127.154 -224.002 -260.531 219.857 -127.155 219.858 -119.825 GPRESSURE: 1493400 -164.307 -221.234 -144.425 -148.786 -238.426 252.263 8.62825 204.366 -61.5109 PRESSAVG: 1493400 -23.0187 -52.1287 5.72341 -52.1287 35.4715 44.2303 5.72346 44.2303 -30.5898 GPRESSAVG: 1493400 -22.4667 -54.7186 7.65269 -51.0991 33.7754 44.7068 5.01845 42.3117 -29.1286 TIMING: 1493400 CPU: 4441.16, 0.0030084/step Wall: 4441.16, 0.0030084/step, 2.93035 hours remaining, 205.945312 MB of memory in use. ENERGY: 1493400 703.0628 2061.3135 1967.2250 110.3108 -205784.6160 17294.8978 0.0000 0.0000 34363.7040 -149284.1022 300.1068 -183647.8063 -149190.7849 299.1407 -185.8455 -154.7480 555666.5369 -6.0456 -5.9400 PRESSURE: 1493600 101.552 70.8165 42.5199 70.8183 -122.355 -213.805 42.5201 -213.805 59.2907 GPRESSURE: 1493600 112.751 71.1834 -45.3317 1.83062 -88.3384 -168.609 84.5874 -211.506 126.197 PRESSAVG: 1493600 8.75913 40.265 -9.02071 40.265 -4.1083 1.3047 -9.02073 1.30481 5.60209 GPRESSAVG: 1493600 8.76773 40.7161 -10.2926 39.1566 -2.92314 2.61816 -9.99074 2.18517 5.1465 TIMING: 1493600 CPU: 4441.76, 0.00300359/step Wall: 4441.76, 0.00300359/step, 2.92549 hours remaining, 205.945312 MB of memory in use. ENERGY: 1493600 717.8103 2089.1797 1948.0850 111.7345 -206169.2604 17745.0121 0.0000 0.0000 34268.0698 -149289.3691 299.2716 -183557.4389 -149188.6211 298.9703 12.8293 50.2031 557376.1323 3.4176 3.6637 PRESSURE: 1493800 124.896 -354.525 -94.4848 -354.525 117.719 -41.0286 -94.4839 -41.0288 86.3918 GPRESSURE: 1493800 152.369 -283.148 -103.943 -339.986 117.84 -16.0531 -111.639 -51.8172 158.174 PRESSAVG: 1493800 77.4207 -6.04303 23.0602 -6.04298 -11.5083 -36.7502 23.0601 -36.7501 -20.5613 GPRESSAVG: 1493800 75.7885 -6.13064 23.6849 -5.69716 -10.2552 -38.7076 24.3057 -35.464 -20.0768 TIMING: 1493800 CPU: 4442.36, 0.00299593/step Wall: 4442.36, 0.00299593/step, 2.91787 hours remaining, 205.945312 MB of memory in use. ENERGY: 1493800 704.6962 2065.4903 1954.7728 111.5595 -206465.2509 17979.1696 0.0000 0.0000 34108.1359 -149541.4266 297.8748 -183649.5625 -149449.7427 298.7684 109.6689 142.7944 555656.6675 15.1170 15.1522 PRESSURE: 1494000 175.849 131.614 -20.7617 131.615 -202.003 -65.9111 -20.7609 -65.911 237.878 GPRESSURE: 1494000 153.744 63.2599 -85.6696 145.557 -105.761 -112.077 45.5669 -17.3408 262.599 PRESSAVG: 1494000 41.6149 -3.11977 -27.6167 -3.11982 -83.7966 -4.94081 -27.6167 -4.9408 45.2963 GPRESSAVG: 1494000 43.0319 -4.16292 -28.2532 -2.94152 -85.0141 -5.50932 -26.4392 -6.21965 45.5411 TIMING: 1494000 CPU: 4442.95, 0.00298687/step Wall: 4442.95, 0.00298687/step, 2.90888 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: 1494000 711.3304 2095.4848 1945.9798 117.8280 -206577.0952 17902.8165 0.0000 0.0000 34224.9409 -149578.7148 298.8949 -183803.6557 -149484.7807 298.0663 70.5750 103.5274 557314.7646 1.0382 1.1863 PRESSURE: 1494200 140.702 79.9131 -171.823 79.9148 148.239 137.91 -171.823 137.909 53.1567 GPRESSURE: 1494200 188.621 125.938 -123.642 68.1471 136.568 127.735 -159.718 137.843 107.05 PRESSAVG: 1494200 4.9952 -16.3228 8.80574 -16.3228 46.2471 1.86208 8.80573 1.86212 -27.3462 GPRESSAVG: 1494200 5.58655 -16.43 10.3616 -16.2374 46.6704 2.20938 5.27431 3.8052 -28.1599 TIMING: 1494200 CPU: 4443.55, 0.00297146/step Wall: 4443.55, 0.00297146/step, 2.89371 hours remaining, 205.945312 MB of memory in use. ENERGY: 1494200 698.5263 2075.6441 1946.6721 117.2920 -206384.5747 17938.7937 0.0000 0.0000 33990.6490 -149616.9975 296.8488 -183607.6466 -149520.3901 298.0466 114.0327 144.0797 555135.2042 7.9654 8.0324 PRESSURE: 1494400 -45.3678 -24.7839 32.6353 -24.7845 277.431 116.444 32.6328 116.444 246.966 GPRESSURE: 1494400 29.3372 -70.9454 39.0914 -18.8289 257.655 27.1767 66.2639 85.7702 301.388 PRESSAVG: 1494400 -24.5796 -33.3681 -18.3272 -33.3681 19.8028 42.7552 -18.3273 42.7552 -6.17237 GPRESSAVG: 1494400 -24.564 -33.1063 -16.9171 -34.5777 19.4353 42.4 -17.4415 42.5325 -5.99128 TIMING: 1494400 CPU: 4444.15, 0.00298224/step Wall: 4444.15, 0.00298224/step, 2.90404 hours remaining, 205.945312 MB of memory in use. ENERGY: 1494400 730.3116 2104.0937 1954.6401 118.3742 -206627.3628 17953.3081 0.0000 0.0000 34074.2148 -149692.4203 297.5786 -183766.6351 -149592.2898 298.0655 159.6764 196.1267 555088.3327 -3.6497 -3.7067 PRESSURE: 1494600 -117.313 32.7145 -40.37 32.714 0.970077 70.3745 -40.3701 70.3742 -21.5948 GPRESSURE: 1494600 -45.6884 2.87248 24.6113 14.215 63.4916 72.004 -82.1242 48.0846 -58.4713 PRESSAVG: 1494600 38.9252 33.2962 2.74558 33.2962 15.6923 32.6547 2.74562 32.6546 -55.3864 GPRESSAVG: 1494600 38.0371 32.5759 -0.0264 34.3967 15.0873 36.1502 4.16152 29.3091 -53.9508 TIMING: 1494600 CPU: 4444.74, 0.00296937/step Wall: 4444.74, 0.00296937/step, 2.89134 hours remaining, 205.945312 MB of memory in use. ENERGY: 1494600 711.4963 2092.6580 1949.0842 123.4549 -206294.0687 17744.7928 0.0000 0.0000 33975.5672 -149697.0154 296.7171 -183672.5826 -149599.1237 297.8736 -45.9792 -13.5561 555943.2378 -0.2563 -0.2755 PRESSURE: 1494800 -52.9101 -51.479 -79.518 -51.4793 28.352 54.6237 -79.5187 54.6249 199.181 GPRESSURE: 1494800 -56.0965 -68.133 45.462 -186.016 77.7993 25.3157 -103.708 -32.1436 252.645 PRESSAVG: 1494800 -23.1748 35.2825 11.1023 35.2825 -19.1663 -34.7681 11.1024 -34.768 37.8926 GPRESSAVG: 1494800 -21.5245 36.5822 12.2691 33.551 -18.5601 -38.3131 9.87239 -31.9083 36.0088 TIMING: 1494800 CPU: 4445.33, 0.00296614/step Wall: 4445.33, 0.00296614/step, 2.88803 hours remaining, 205.945312 MB of memory in use. ENERGY: 1494800 760.5623 2083.3802 1953.7682 115.4866 -206569.1059 18025.6956 0.0000 0.0000 33977.1941 -149653.0188 296.7313 -183630.2129 -149556.2607 298.2423 58.2078 91.4493 555670.4338 -1.4828 -1.3586 PRESSURE: 1495000 -83.5293 11.7319 131.939 11.7326 19.7469 126.885 131.939 126.885 -41.2365 GPRESSURE: 1495000 -5.33765 76.7062 45.7669 -112.272 40.5346 114.908 191.727 177.39 -34.4878 PRESSAVG: 1495000 -20.3664 -12.0344 -3.72676 -12.0345 -7.00682 17.7625 -3.72681 17.7625 33.2665 GPRESSAVG: 1495000 -20.8262 -11.6096 -5.20049 -12.5775 -6.97277 18.842 -4.62417 15.9217 33.5351 TIMING: 1495000 CPU: 4445.93, 0.00297319/step Wall: 4445.93, 0.00297319/step, 2.89473 hours remaining, 205.945312 MB of memory in use. ENERGY: 1495000 702.7830 2048.8203 1948.7135 118.6045 -206026.7655 17612.3851 0.0000 0.0000 34124.8749 -149470.5841 298.0210 -183595.4590 -149371.6738 297.6884 -35.0063 0.2364 557310.3736 1.9645 1.9120 PRESSURE: 1495200 -73.6632 -28.7366 -77.5389 -28.7383 -26.721 129.191 -77.5395 129.192 -73.3058 GPRESSURE: 1495200 -106.446 -87.2867 -15.5761 -67.8947 15.7588 177.975 -144.762 94.6945 6.30735 PRESSAVG: 1495200 -31.9516 -58.8491 38.8939 -58.8492 61.1546 0.859128 38.8938 0.859226 -7.17209 GPRESSAVG: 1495200 -31.9145 -57.6656 40.1698 -59.8845 61.9395 0.359632 40.0668 0.866643 -7.16517 TIMING: 1495200 CPU: 4446.52, 0.00296681/step Wall: 4446.52, 0.00296681/step, 2.88836 hours remaining, 205.945312 MB of memory in use. ENERGY: 1495200 769.6104 2096.6925 1948.0677 103.5810 -206293.2454 17786.3553 0.0000 0.0000 34214.1506 -149374.7879 298.8007 -183588.9386 -149280.3442 298.1296 -57.8967 -28.1266 557844.5155 7.3436 7.6199 PRESSURE: 1495400 -149.517 -15.9538 -74.3845 -15.9542 89.813 30.7154 -74.3844 30.7146 -73.9988 GPRESSURE: 1495400 -167.413 -58.6393 -65.8534 33.6082 103.393 17.9074 -55.929 38.3713 29.7145 PRESSAVG: 1495400 -3.67463 -37.1097 -21.3656 -37.1097 49.6273 20.8327 -21.3655 20.8327 -21.7325 GPRESSAVG: 1495400 -3.76278 -40.1309 -20.3394 -33.8454 48.4076 21.4834 -22.1206 22.5561 -21.0099 TIMING: 1495400 CPU: 4447.11, 0.00296398/step Wall: 4447.11, 0.00296398/step, 2.88544 hours remaining, 205.945312 MB of memory in use. ENERGY: 1495400 767.3693 2050.1581 1937.1964 116.5221 -205936.4848 17644.6704 0.0000 0.0000 34190.7178 -149229.8507 298.5960 -183420.5685 -149140.8345 298.3162 -44.5677 -11.4353 555532.0034 8.0734 7.8783 PRESSURE: 1495600 -47.6022 29.5023 2.55818 29.5025 -277.291 -0.309891 2.5587 -0.308628 -79.7963 GPRESSURE: 1495600 -17.7105 -16.4123 -24.2193 1.71785 -264.849 110.052 36.4809 83.5868 -32.0527 PRESSAVG: 1495600 15.5154 -13.1208 -0.086265 -13.1208 37.2744 59.6627 -0.0863319 59.6628 -31.3144 GPRESSAVG: 1495600 15.0043 -11.9637 -2.61463 -14.0223 38.5357 57.3442 1.80199 59.1274 -32.5443 TIMING: 1495600 CPU: 4447.71, 0.00296694/step Wall: 4447.71, 0.00296694/step, 2.88815 hours remaining, 205.945312 MB of memory in use. ENERGY: 1495600 737.6160 2111.8886 1936.1301 104.2089 -205672.4821 17509.9281 0.0000 0.0000 34089.5995 -149183.1109 297.7130 -183272.7105 -149085.6794 299.3723 -134.8966 -104.8707 558230.4170 7.1585 6.9985 PRESSURE: 1495800 198.313 63.1142 38.1621 63.1141 221.6 -35.757 38.1618 -35.7564 116.23 GPRESSURE: 1495800 165.235 77.2268 125.452 91.3368 237.929 -8.95155 43.0062 -28.5347 230.463 PRESSAVG: 1495800 68.7104 -41.7547 22.7025 -41.7547 -3.499 38.5961 22.7026 38.5962 -57.5599 GPRESSAVG: 1495800 69.4922 -43.5909 22.61 -40.1921 -4.41279 41.4296 21.6721 39.7089 -58.1013 TIMING: 1495800 CPU: 4448.3, 0.00296307/step Wall: 4448.3, 0.00296307/step, 2.88422 hours remaining, 205.945312 MB of memory in use. ENERGY: 1495800 760.0366 2083.5858 1947.1644 119.0665 -206264.9939 18190.8117 0.0000 0.0000 34223.1471 -148941.1817 298.8793 -183164.3288 -148844.4129 299.8710 178.7146 211.2089 557418.2579 2.5505 2.3260 PRESSURE: 1496000 16.107 34.2899 43.0572 34.29 86.6231 -102.426 43.0559 -102.427 -40.8657 GPRESSURE: 1496000 77.8104 94.9374 -10.4302 -87.6506 78.8456 -111.079 59.9804 -54.8067 8.07881 PRESSAVG: 1496000 53.8944 -27.9805 -13.6871 -27.9804 -6.05329 -3.7736 -13.6871 -3.77357 -32.6058 GPRESSAVG: 1496000 53.6198 -26.7815 -12.7792 -30.9565 -6.10059 -5.78579 -13.8009 -4.88171 -32.5059 TIMING: 1496000 CPU: 4448.9, 0.00298078/step Wall: 4448.9, 0.00298078/step, 2.90129 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: 1496000 739.2515 2120.1151 1970.2958 104.8823 -205910.4769 17880.4189 0.0000 0.0000 34328.9788 -148766.5345 299.8035 -183095.5133 -148661.4340 300.1324 20.6215 54.9116 558217.2987 5.0784 5.0044 PRESSURE: 1496200 282.504 -27.0339 48.0726 -27.0337 33.2387 -24.8429 48.0723 -24.8414 -43.9336 GPRESSURE: 1496200 264.988 12.533 38.438 -27.5013 56.8289 -50.7403 38.8191 -31.546 52.3705 PRESSAVG: 1496200 94.2739 10.5203 3.80979 10.5202 -19.1134 -10.8528 3.80975 -10.8528 -50.902 GPRESSAVG: 1496200 94.134 10.5602 4.36433 12.3335 -19.0806 -10.7599 4.4987 -10.898 -50.7593 TIMING: 1496200 CPU: 4449.49, 0.00297305/step Wall: 4449.49, 0.00297305/step, 2.89361 hours remaining, 205.945312 MB of memory in use. ENERGY: 1496200 750.4132 2101.4478 1905.0308 113.1815 -206201.6323 18036.8389 0.0000 0.0000 34286.0774 -149008.6428 299.4288 -183294.7202 -148910.6428 299.9540 90.6029 124.7291 557770.4558 8.0862 8.0980 LDB: ============= START OF LOAD BALANCING ============== 4452.92 LDB: ============== END OF LOAD BALANCING =============== 4452.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4452.92 LDB: ============= START OF LOAD BALANCING ============== 4453.22 LDB: Largest compute 4847 load 0.025913 is 22.0% of average load 0.118050 LDB: Average compute 0.001711 is 1.4% of average load 0.118050 LDB: TIME 4453.22 LOAD: AVG 0.11805 MAX 0.197313 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 4453.22 LOAD: AVG 0.11805 MAX 0.197313 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: TIME 4453.22 LOAD: AVG 0.11805 MAX 0.197313 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 4453.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4453.22 PRESSURE: 1496400 119.647 -152.648 -139.873 -152.649 38.9154 -94.1963 -139.872 -94.196 -263.009 GPRESSURE: 1496400 164.234 -142.912 -161.023 -178.499 103.17 8.42037 -112.479 -40.747 -277.846 PRESSAVG: 1496400 4.47224 38.8667 -15.0977 38.8667 64.0145 16.6681 -15.0976 16.6681 -45.2171 GPRESSAVG: 1496400 4.65536 40.98 -15.9767 38.9707 63.4268 17.5307 -15.5627 17.8785 -44.9011 TIMING: 1496400 CPU: 4450.09, 0.00302029/step Wall: 4450.09, 0.00302029/step, 2.93941 hours remaining, 205.804688 MB of memory in use. ENERGY: 1496400 748.3073 2095.3084 1930.1211 115.2412 -206090.2076 17864.5075 0.0000 0.0000 34360.3990 -148976.3230 300.0779 -183336.7219 -148878.1749 299.8863 -34.8154 -3.4806 557788.4871 7.7565 7.7270 PRESSURE: 1496600 -263.999 54.1231 -47.0232 54.1231 -101.23 -27.4646 -47.024 -27.4664 -322.949 GPRESSURE: 1496600 -209.022 15.9305 15.9791 61.0787 -74.4265 -92.7687 -81.9884 -67.2851 -292.73 PRESSAVG: 1496600 17.133 21.9543 -60.2061 21.9543 41.0961 19.4847 -60.2061 19.4848 -67.0041 GPRESSAVG: 1496600 17.1955 19.015 -60.5961 23.6256 41.7849 19.0221 -60.7193 16.7295 -67.1449 TIMING: 1496600 CPU: 4450.69, 0.00297259/step Wall: 4450.69, 0.00297259/step, 2.89282 hours remaining, 205.804688 MB of memory in use. ENERGY: 1496600 748.3610 2115.7246 1934.8385 107.4355 -205775.4770 17309.0621 0.0000 0.0000 34481.9497 -149078.1056 301.1394 -183560.0553 -148977.7760 300.1888 -229.3923 -192.0597 557646.7109 -2.9250 -2.7215 PRESSURE: 1496800 -70.6863 193.634 16.1816 193.634 -53.6633 221.877 16.1812 221.877 -31.5875 GPRESSURE: 1496800 -74.7019 282.877 -50.764 146.052 -36.4262 212.625 -3.1793 221.193 42.3966 PRESSAVG: 1496800 -11.3482 38.0247 2.58905 38.0247 48.6295 24.9553 2.58906 24.9552 -8.03548 GPRESSAVG: 1496800 -11.2924 40.1589 4.46687 34.8879 48.097 22.8767 1.61813 26.9406 -7.78968 TIMING: 1496800 CPU: 4451.28, 0.00297996/step Wall: 4451.28, 0.00297996/step, 2.89983 hours remaining, 205.804688 MB of memory in use. ENERGY: 1496800 760.6619 2093.2070 1921.8879 114.9949 -206188.4468 17739.1289 0.0000 0.0000 34340.9976 -149217.5685 299.9085 -183558.5661 -149121.2503 299.9070 -51.9790 -22.9105 557103.6739 9.7486 9.6717 PRESSURE: 1497000 11.4191 65.3906 -4.88117 65.3906 193.58 -60.4282 -4.88004 -60.4279 162.614 GPRESSURE: 1497000 26.1933 65.4122 -22.6955 61.4154 168.552 -57.3907 56.3223 -41.8028 259.952 PRESSAVG: 1497000 3.14277 26.616 -16.4057 26.616 43.3926 78.9765 -16.4057 78.9766 -17.2158 GPRESSAVG: 1497000 3.52446 27.7587 -15.9915 27.365 44.5522 79.5936 -14.6665 79.8666 -18.2599 TIMING: 1497000 CPU: 4451.88, 0.00298142/step Wall: 4451.88, 0.00298142/step, 2.90109 hours remaining, 205.804688 MB of memory in use. ENERGY: 1497000 761.8523 2093.6395 1946.1200 110.5236 -206598.4593 17998.6429 0.0000 0.0000 34425.8180 -149261.8629 300.6492 -183687.6809 -149169.5985 300.1435 122.5376 151.5660 556566.8861 9.7732 9.9389 PRESSURE: 1497200 87.8021 -56.3533 -118.856 -56.3542 21.9248 96.5457 -118.856 96.5453 144.623 GPRESSURE: 1497200 102.346 -50.5291 -233.113 -27.4023 47.3082 48.6785 -34.2338 119.96 196.613 PRESSAVG: 1497200 -10.081 16.4396 -33.2047 16.4394 -50.6444 45.2933 -33.2047 45.2933 14.7145 GPRESSAVG: 1497200 -10.2382 14.8211 -34.0799 19.2485 -52.0652 46.5584 -35.1036 43.6795 16.1283 TIMING: 1497200 CPU: 4452.48, 0.00297193/step Wall: 4452.48, 0.00297193/step, 2.89169 hours remaining, 205.804688 MB of memory in use. ENERGY: 1497200 756.1239 2134.3348 1922.1932 109.3647 -206566.5311 17969.8452 0.0000 0.0000 34412.9467 -149261.7226 300.5368 -183674.6693 -149163.6690 299.3647 84.7834 115.4225 556659.8426 -15.3369 -15.3917 PRESSURE: 1497400 -80.7865 126.855 107.544 126.855 33.5054 -168.159 107.543 -168.16 -96.5281 GPRESSURE: 1497400 -38.5947 91.3837 113.277 161.978 36.0075 -123.364 69.4666 -149.349 -39.9622 PRESSAVG: 1497400 26.4139 -49.2188 39.4762 -49.2187 3.05131 -27.7304 39.4762 -27.7304 -29.6873 GPRESSAVG: 1497400 26.2603 -49.7657 38.9613 -51.4337 3.8954 -26.555 40.3254 -26.7578 -29.9134 TIMING: 1497400 CPU: 4453.07, 0.00297298/step Wall: 4453.07, 0.00297298/step, 2.89255 hours remaining, 205.804688 MB of memory in use. ENERGY: 1497400 742.5191 2069.1838 1935.6483 101.8722 -206212.8764 17603.8017 0.0000 0.0000 34178.9077 -149580.9436 298.4929 -183759.8513 -149491.3485 298.8323 -47.9364 -14.1831 554948.5284 -0.0740 0.0808 PRESSURE: 1497600 -138.358 -90.7916 39.4341 -90.791 34.6056 42.0428 39.4338 42.0454 -113.226 GPRESSURE: 1497600 -85.3836 -39.0768 14.1349 -120.728 51.6356 43.3338 73.7743 -8.53403 -89.4348 PRESSAVG: 1497600 30.7578 8.50983 51.9472 8.50991 -6.55338 -56.1914 51.9472 -56.1912 -25.0065 GPRESSAVG: 1497600 31.4854 8.71101 51.5011 8.14989 -6.65282 -57.1523 51.453 -56.8385 -25.3804 TIMING: 1497600 CPU: 4453.67, 0.00298226/step Wall: 4453.67, 0.00298226/step, 2.90141 hours remaining, 205.804688 MB of memory in use. ENERGY: 1497600 785.5243 2068.4762 1965.1817 107.6854 -206382.3025 17725.1772 0.0000 0.0000 34209.2356 -149521.0220 298.7578 -183730.2576 -149426.4077 297.9844 -72.3261 -41.0609 555466.9570 -0.2674 -0.1826 PRESSURE: 1497800 -317.544 153.348 71.7293 153.349 -181.44 -36.9188 71.7288 -36.9174 -127.29 GPRESSURE: 1497800 -243.617 187.64 73.7541 162.554 -172.098 48.9769 81.6721 6.32949 -109.944 PRESSAVG: 1497800 8.41294 29.2241 51.808 29.2241 8.80016 -7.31389 51.808 -7.3137 1.53324 GPRESSAVG: 1497800 8.49573 30.0113 50.1896 31.0582 9.15041 -6.23932 53.7442 -7.97282 1.30153 TIMING: 1497800 CPU: 4454.26, 0.00298524/step Wall: 4454.26, 0.00298524/step, 2.90414 hours remaining, 205.804688 MB of memory in use. ENERGY: 1497800 758.4857 2095.0446 1932.2165 114.5224 -206268.6509 17727.8561 0.0000 0.0000 34079.0392 -149561.4863 297.6207 -183640.5256 -149467.4461 298.1208 -208.7579 -175.2195 558480.8408 6.2488 6.3159 PRESSURE: 1498000 56.6938 -2.01099 -5.97078 -2.00997 -22.1604 7.38742 -5.97133 7.38857 -175.611 GPRESSURE: 1498000 47.6107 10.7911 -45.4341 40.2468 64.772 -70.2632 14.2441 30.3366 -153.045 PRESSAVG: 1498000 -24.7904 54.3008 -14.5538 54.3009 49.3711 -4.40759 -14.5538 -4.40758 -21.8533 GPRESSAVG: 1498000 -24.3146 54.3633 -12.1808 52.4319 48.521 -7.39174 -16.3638 -3.18942 -21.4127 TIMING: 1498000 CPU: 4454.85, 0.00295452/step Wall: 4454.85, 0.00295452/step, 2.87409 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: 1498000 746.9356 2044.3031 1957.2020 114.8000 -206210.8894 17799.1598 0.0000 0.0000 34095.7556 -149452.7334 297.7667 -183548.4890 -149355.4462 298.6673 -47.0259 -13.5540 558231.1196 0.9091 0.9313 PRESSURE: 1498200 -82.7036 6.40849 -47.0609 6.40916 -1.96349 71.7739 -47.0604 71.7749 114.187 GPRESSURE: 1498200 -28.2487 -22.3654 -30.1848 56.9745 -3.31581 75.0811 52.0539 51.7754 151.274 PRESSAVG: 1498200 51.0258 43.4223 21.0701 43.4224 23.2864 -68.0659 21.0701 -68.066 -69.6324 GPRESSAVG: 1498200 48.6292 41.7424 20.7756 44.8542 24.2258 -67.5829 21.2376 -68.9943 -68.5489 TIMING: 1498200 CPU: 4455.45, 0.00297048/step Wall: 4455.45, 0.00297048/step, 2.88945 hours remaining, 205.804688 MB of memory in use. ENERGY: 1498200 719.3200 2071.7579 1922.3408 115.3678 -206056.5164 17581.7766 0.0000 0.0000 34171.2150 -149474.7381 298.4257 -183645.9531 -149370.7342 297.6634 9.8400 39.9032 557377.7398 1.5600 1.4354 PRESSURE: 1498400 -40.5261 116.06 100.737 116.061 168.166 68.6857 100.737 68.6859 -132.136 GPRESSURE: 1498400 28.9438 100.604 91.7732 183.733 187.306 133.081 76.1915 14.0809 -111.124 PRESSAVG: 1498400 -22.5736 0.621573 25.1694 0.62155 -0.361102 -14.0097 25.1694 -14.0096 -13.4086 GPRESSAVG: 1498400 -21.1238 3.39038 25.9025 -0.399903 -0.654237 -14.303 25.4362 -13.7165 -14.6102 TIMING: 1498400 CPU: 4456.05, 0.00299093/step Wall: 4456.05, 0.00299093/step, 2.90918 hours remaining, 205.804688 MB of memory in use. ENERGY: 1498400 700.8578 2148.4121 1957.7233 103.8634 -206382.3550 17779.3588 0.0000 0.0000 34174.0420 -149518.0974 298.4504 -183692.1395 -149420.8181 298.7634 -1.4989 35.0419 556859.5269 -12.1144 -12.1294 PRESSURE: 1498600 -227.325 20.8753 230.02 20.8759 23.9661 -162.26 230.021 -162.261 60.9107 GPRESSURE: 1498600 -195.755 61.3027 296.394 -38.0443 119.77 -147.533 114.268 -170.954 36.5047 PRESSAVG: 1498600 17.8765 21.208 77.2953 21.208 33.4789 -12.6184 77.2954 -12.6185 -28.0425 GPRESSAVG: 1498600 17.1898 18.4837 76.0005 21.2183 34.6905 -11.48 75.0052 -13.0063 -28.7943 TIMING: 1498600 CPU: 4456.64, 0.00296231/step Wall: 4456.64, 0.00296231/step, 2.88117 hours remaining, 205.804688 MB of memory in use. ENERGY: 1498600 743.4261 2053.7549 1953.3419 114.1931 -206086.0982 17750.7327 0.0000 0.0000 34186.3459 -149284.3035 298.5579 -183470.6494 -149194.1492 298.8049 -47.4828 -13.1602 558811.8508 7.7710 7.6954 PRESSURE: 1498800 -39.1258 212.895 17.7939 212.895 -81.3617 23.3718 17.794 23.3717 -148.578 GPRESSURE: 1498800 29.2884 217.843 -4.25919 231.483 -70.1738 75.9395 22.1119 -2.47179 -119.606 PRESSAVG: 1498800 -35.5275 54.5091 65.3238 54.5091 60.7268 -42.9369 65.3238 -42.9369 -14.988 GPRESSAVG: 1498800 -34.3686 55.9094 65.5366 55.4589 58.5571 -41.9756 67.8367 -44.4033 -14.3392 TIMING: 1498800 CPU: 4457.24, 0.00297909/step Wall: 4457.24, 0.00297909/step, 2.89734 hours remaining, 205.804688 MB of memory in use. ENERGY: 1498800 772.3307 2071.6158 1969.2372 109.5556 -206288.2213 17771.7525 0.0000 0.0000 34332.7111 -149261.0183 299.8361 -183593.7294 -149167.3826 299.2405 -89.6885 -53.4971 557412.1327 3.4037 3.2831 PRESSURE: 1499000 37.5356 88.2697 -3.07118 88.2706 -17.5973 -104.501 -3.07038 -104.502 6.74737 GPRESSURE: 1499000 82.3095 -35.8555 -2.98871 16.9048 10.7031 -199.386 9.12347 30.2646 28.1916 PRESSAVG: 1499000 24.4291 -11.9936 4.36123 -11.9935 -28.3067 -23.9911 4.36122 -23.9911 20.2387 GPRESSAVG: 1499000 23.0034 -12.7062 2.75194 -15.1194 -27.7738 -27.5365 6.34109 -21.5978 20.656 TIMING: 1499000 CPU: 4457.83, 0.00297707/step Wall: 4457.83, 0.00297707/step, 2.8952 hours remaining, 205.804688 MB of memory in use. ENERGY: 1499000 748.9796 2107.1170 1944.8517 109.6026 -206173.0164 17617.9295 0.0000 0.0000 34368.8046 -149275.7314 300.1513 -183644.5360 -149183.5373 298.6860 8.8952 40.4014 556847.7959 5.4537 5.2952 PRESSURE: 1499200 -158.413 40.1084 -70.8267 40.1083 -311.13 222.257 -70.8269 222.258 -121.978 GPRESSURE: 1499200 -121.262 14.4178 -77.643 -63.6554 -285.066 228.164 -102.996 186.83 -86.6909 PRESSAVG: 1499200 18.7447 -20.1259 1.101 -20.1258 16.7293 6.53475 1.10102 6.53474 -13.8741 GPRESSAVG: 1499200 19.4991 -19.8134 3.15936 -18.4492 16.637 8.03097 0.472307 6.97473 -14.5693 TIMING: 1499200 CPU: 4458.42, 0.00295223/step Wall: 4458.42, 0.00295223/step, 2.87088 hours remaining, 205.804688 MB of memory in use. ENERGY: 1499200 755.0814 2151.8256 1943.3051 106.3990 -205904.2247 17448.2167 0.0000 0.0000 34277.5850 -149221.8119 299.3547 -183499.3969 -149134.4565 299.2063 -197.1736 -164.3395 558156.9252 7.2000 7.1890 PRESSURE: 1499400 59.2051 47.7161 267.077 47.7172 -106.522 -32.4363 267.077 -32.4331 -1.57992 GPRESSURE: 1499400 136.601 -58.547 193.32 114.769 -82.1788 -61.1039 243.885 53.2997 -8.86985 PRESSAVG: 1499400 -25.3583 -52.424 -13.4077 -52.424 -4.63319 -14.3865 -13.4077 -14.3864 32.9617 GPRESSAVG: 1499400 -25.5438 -54.7267 -15.5674 -51.3135 -4.15382 -14.506 -14.2364 -14.5412 32.7218 TIMING: 1499400 CPU: 4459.02, 0.00297065/step Wall: 4459.02, 0.00297065/step, 2.88863 hours remaining, 205.804688 MB of memory in use. ENERGY: 1499400 741.9157 2104.8346 1944.5891 114.6495 -206110.8156 17853.2799 0.0000 0.0000 34167.0068 -149184.5399 298.3890 -183351.5467 -149091.3372 299.3511 -16.2988 15.1842 556679.4593 0.9901 1.0081 PRESSURE: 1499600 23.5732 30.87 -9.34602 30.8695 -165.912 36.2811 -9.34499 36.2823 56.1079 GPRESSURE: 1499600 57.4668 95.4534 -76.1774 3.00631 -134.848 53.8405 117.121 12.0094 71.9848 PRESSAVG: 1499600 -38.8559 6.65207 27.9577 6.65207 61.5309 6.90809 27.9577 6.90812 -28.9232 GPRESSAVG: 1499600 -39.3103 10.7149 28.2432 2.9737 61.6287 7.94329 28.5781 5.6101 -28.223 TIMING: 1499600 CPU: 4459.6, 0.0029479/step Wall: 4459.6, 0.0029479/step, 2.86634 hours remaining, 205.804688 MB of memory in use. ENERGY: 1499600 736.8577 2059.1357 1958.1300 114.1596 -206099.0887 17744.3007 0.0000 0.0000 34305.4122 -149181.0928 299.5977 -183486.5049 -149080.2298 298.9803 -28.7437 -1.7987 558213.4751 -2.0827 -1.9682 PRESSURE: 1499800 363.677 -40.711 184.374 -40.711 181.786 -52.9275 184.374 -52.928 16.9693 GPRESSURE: 1499800 388.773 -76.4261 201.675 -35.491 196.782 -42.0514 197.48 -83.5724 80.7043 PRESSAVG: 1499800 24.2916 -14.6691 1.28888 -14.6692 7.50996 41.1379 1.28895 41.138 -27.2031 GPRESSAVG: 1499800 24.9333 -15.4054 -0.00274776 -13.8508 7.31876 40.0618 1.4068 41.1635 -27.2328 TIMING: 1499800 CPU: 4460.2, 0.00299239/step Wall: 4460.2, 0.00299239/step, 2.90943 hours remaining, 205.804688 MB of memory in use. ENERGY: 1499800 735.0405 2079.5113 1948.1091 118.7772 -206464.2800 18067.4179 0.0000 0.0000 34228.4584 -149286.9656 298.9256 -183515.4240 -149191.8596 299.5050 187.4775 222.0861 556980.9772 1.5328 1.6731 PRESSURE: 1500000 37.366 60.2433 0.693968 60.2436 232.626 -65.7446 0.694745 -65.7447 22.6609 GPRESSURE: 1500000 76.8016 27.2453 -19.0874 94.2032 243.101 32.0696 51.6771 -57.8823 62.6441 PRESSAVG: 1500000 -46.2656 8.8823 -17.1699 8.88237 13.2522 7.07976 -17.17 7.0798 38.5917 GPRESSAVG: 1500000 -46.4808 4.19905 -15.4349 12.595 12.6918 7.79415 -17.3391 8.64989 39.4379 TIMING: 1500000 CPU: 4460.8, 0.00297738/step Wall: 4460.8, 0.00297738/step, 2.89468 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: 1500000 723.7775 2129.5401 1970.4133 106.3887 -206460.6393 17858.2915 0.0000 0.0000 34127.2713 -149544.9569 298.0419 -183672.2282 -149452.5556 298.8725 97.5510 127.5156 557174.3172 1.8594 1.8829 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1500000 WRITING COORDINATES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1500200 20.5235 -55.8748 -11.6635 -55.8752 -53.0575 126.423 -11.6633 126.422 133.314 GPRESSURE: 1500200 43.8106 -9.27445 -25.6392 -122.229 -20.1242 162.243 -48.6671 117.468 182.761 PRESSAVG: 1500200 54.7932 30.4684 -5.84298 30.4684 -35.4347 27.7049 -5.84298 27.7048 2.10694 GPRESSAVG: 1500200 55.2385 33.3629 -6.48516 27.2096 -35.4647 28.3133 -4.99485 28.3835 1.95664 TIMING: 1500200 CPU: 4461.41, 0.00305627/step Wall: 4461.41, 0.00305627/step, 2.97121 hours remaining, 205.804688 MB of memory in use. ENERGY: 1500200 743.0684 2041.7509 1931.8746 114.6320 -206425.4982 17882.3058 0.0000 0.0000 34214.8773 -149496.9893 298.8070 -183711.8666 -149399.7097 298.6404 33.5934 68.8158 558740.2913 7.1552 7.2435 LDB: ============= START OF LOAD BALANCING ============== 4464.84 LDB: ============== END OF LOAD BALANCING =============== 4464.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4464.84 LDB: ============= START OF LOAD BALANCING ============== 4465.14 LDB: Largest compute 4847 load 0.026302 is 22.3% of average load 0.117971 LDB: Average compute 0.001718 is 1.5% of average load 0.117971 LDB: TIME 4465.14 LOAD: AVG 0.117971 MAX 0.19997 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 4465.14 LOAD: AVG 0.117971 MAX 0.19997 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.52 MB LDB: TIME 4465.14 LOAD: AVG 0.117971 MAX 0.19997 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.52 MB LDB: ============== END OF LOAD BALANCING =============== 4465.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4465.15 PRESSURE: 1500400 -20.1051 -2.54255 -150.78 -2.54152 177.085 163.818 -150.778 163.817 102.528 GPRESSURE: 1500400 66.1281 -27.8539 -154.127 90.9346 204.044 144.004 -87.1777 223.6 83.873 PRESSAVG: 1500400 -61.2252 15.6602 12.921 15.6601 3.51015 33.2649 12.921 33.2649 49.3721 GPRESSAVG: 1500400 -61.4151 17.0564 14.4054 14.9182 4.49978 31.5178 12.2143 33.462 49.011 TIMING: 1500400 CPU: 4462.02, 0.0030433/step Wall: 4462.02, 0.0030433/step, 2.95842 hours remaining, 206.636719 MB of memory in use. ENERGY: 1500400 739.7264 2104.7100 1968.7518 108.6105 -206790.3247 17979.2109 0.0000 0.0000 34410.5755 -149478.7396 300.5161 -183889.3152 -149381.7851 299.0981 86.5028 118.0150 555129.1357 -2.7810 -2.6348 PRESSURE: 1500600 -136.014 122.273 -4.34396 122.273 -31.256 24.2192 -4.34404 24.2198 -219.284 GPRESSURE: 1500600 -168.661 125.549 -26.1644 66.5839 29.9322 -6.10421 -30.9376 70.5561 -156.444 PRESSAVG: 1500600 39.2636 54.8841 10.2223 54.8841 5.68643 12.6273 10.2224 12.6273 -68.1264 GPRESSAVG: 1500600 40.1003 54.3655 9.20345 56.2497 5.35922 14.354 9.86752 11.8261 -68.3819 TIMING: 1500600 CPU: 4462.62, 0.00300394/step Wall: 4462.62, 0.00300394/step, 2.91999 hours remaining, 206.707031 MB of memory in use. ENERGY: 1500600 744.4411 2096.0485 1958.2824 104.2166 -206476.0635 17794.7508 0.0000 0.0000 34206.9056 -149571.4185 298.7374 -183778.3241 -149475.6924 298.1668 -128.8514 -98.3908 559184.9970 -7.7254 -7.6408 PRESSURE: 1500800 195.589 98.6656 98.3033 98.6645 167.079 -48.8814 98.3042 -48.8825 266.003 GPRESSURE: 1500800 251.568 -11.6517 25.1892 135.326 166.18 -33.194 72.7622 -66.8234 314.288 PRESSAVG: 1500800 32.4703 54.8749 -4.90687 54.8747 -0.807818 5.03348 -4.9069 5.03354 -20.4818 GPRESSAVG: 1500800 32.8401 54.9551 -6.04257 56.7759 -0.976556 5.71986 -4.3683 4.63079 -20.97 TIMING: 1500800 CPU: 4463.21, 0.00297361/step Wall: 4463.21, 0.00297361/step, 2.89035 hours remaining, 206.707031 MB of memory in use. ENERGY: 1500800 717.8500 2082.1198 1947.0428 114.5143 -206955.1225 18330.0043 0.0000 0.0000 34111.5029 -149652.0884 297.9042 -183763.5913 -149560.3851 298.2331 209.5570 244.0119 557791.4955 3.7269 3.6312 PRESSURE: 1501000 42.6056 99.6348 118.725 99.6339 -165.541 -5.41503 118.724 -5.41538 -101.112 GPRESSURE: 1501000 80.7289 45.3001 92.1835 120.767 -127.505 15.9793 157.984 -20.0179 -79.42 PRESSAVG: 1501000 22.9708 49.1039 -76.7703 49.1038 -47.9932 39.1798 -76.7703 39.1799 14.0074 GPRESSAVG: 1501000 22.53 50.0904 -73.9994 45.92 -48.2132 37.6197 -78.3007 38.398 14.4726 TIMING: 1501000 CPU: 4463.81, 0.00295978/step Wall: 4463.81, 0.00295978/step, 2.87674 hours remaining, 206.707031 MB of memory in use. ENERGY: 1501000 761.4044 2114.5841 1956.3848 110.1600 -206332.4687 17896.7589 0.0000 0.0000 33950.9936 -149542.1830 296.5025 -183493.1765 -149447.9742 297.7501 -74.6824 -42.0655 559260.2931 -3.6717 -3.7369 PRESSURE: 1501200 -189.724 -0.254053 123.847 -0.254408 -204.706 166.438 123.848 166.437 276.549 GPRESSURE: 1501200 -139.81 -61.3316 165.44 61.5584 -151.805 160.958 0.429685 157.959 267.01 PRESSAVG: 1501200 -41.6699 38.0926 -51.4805 38.0926 -48.7368 -20.5505 -51.4805 -20.5505 66.2346 GPRESSAVG: 1501200 -41.3069 40.5156 -52.6118 37.7146 -48.3841 -20.721 -49.2044 -18.9237 65.8899 TIMING: 1501200 CPU: 4464.4, 0.00297883/step Wall: 4464.4, 0.00297883/step, 2.89509 hours remaining, 206.707031 MB of memory in use. ENERGY: 1501200 751.7380 2105.9268 1967.8716 120.6125 -206395.1136 17834.2980 0.0000 0.0000 34192.6736 -149421.9931 298.6131 -183614.6667 -149329.6596 299.0658 -39.2937 -8.2015 557616.4557 -8.0574 -7.9337 PRESSURE: 1501400 -65.388 5.60258 -122.795 5.6029 -20.9228 44.2417 -122.793 44.2401 4.63942 GPRESSURE: 1501400 -23.7831 9.31156 -146.44 49.9928 -27.8888 -75.4074 -152.912 109.203 75.4069 PRESSAVG: 1501400 -74.993 2.01368 -26.3333 2.01371 40.0342 -18.5135 -26.3333 -18.5136 -16.007 GPRESSAVG: 1501400 -75.015 2.04471 -27.8986 2.23705 39.1802 -18.0845 -27.3999 -18.7498 -15.6964 TIMING: 1501400 CPU: 4464.99, 0.00293391/step Wall: 4464.99, 0.00293391/step, 2.85127 hours remaining, 206.707031 MB of memory in use. ENERGY: 1501400 757.2984 2122.1323 1956.7406 115.2795 -206088.4938 17709.5180 0.0000 0.0000 34027.2958 -149400.2291 297.1688 -183427.5249 -149310.2242 299.0400 -27.2238 7.9116 557218.5432 -16.9886 -17.1770 PRESSURE: 1501600 -317.325 -73.0088 67.7474 -73.0103 -68.8384 -75.0323 67.7474 -75.0316 -121.728 GPRESSURE: 1501600 -264.623 -91.5902 156.309 -80.6959 4.00866 -77.034 28.9083 -20.441 -151.501 PRESSAVG: 1501600 -48.3785 -24.0707 -24.1308 -24.0706 -97.6396 -23.2739 -24.1307 -23.2739 98.8084 GPRESSAVG: 1501600 -50.5404 -26.2431 -22.9766 -24.2281 -96.0228 -21.5695 -23.595 -23.1917 98.7537 TIMING: 1501600 CPU: 4465.58, 0.00296279/step Wall: 4465.58, 0.00296279/step, 2.87917 hours remaining, 206.707031 MB of memory in use. ENERGY: 1501600 746.0217 2112.9565 1932.8647 114.3929 -206243.3632 17695.9736 0.0000 0.0000 34138.8731 -149502.2806 298.1433 -183641.1538 -149408.5070 298.9315 -169.2971 -137.3717 559346.8701 -15.7366 -15.9365 PRESSURE: 1501800 -242.535 191.529 152.623 191.528 -198.052 -1.87696 152.622 -1.87664 80.9228 GPRESSURE: 1501800 -197.8 180.093 102.619 172.124 -128.962 58.2595 77.0155 -18.6008 63.3305 PRESSAVG: 1501800 31.5075 35.7969 -12.7052 35.7969 -22.1304 51.8144 -12.7052 51.8142 -0.84574 GPRESSAVG: 1501800 33.2609 35.7202 -13.0931 37.2142 -24.3541 53.0066 -11.2299 51.0165 -0.873888 TIMING: 1501800 CPU: 4466.17, 0.00294677/step Wall: 4466.17, 0.00294677/step, 2.86344 hours remaining, 206.707031 MB of memory in use. ENERGY: 1501800 710.9208 2043.5180 1953.9582 99.8098 -206014.2169 17599.3231 0.0000 0.0000 33996.9743 -149609.7127 296.9040 -183606.6870 -149518.9418 298.8978 -119.8881 -87.8104 557263.6686 2.8438 2.6776 PRESSURE: 1502000 -91.0972 12.8383 -96.6025 12.8391 191.572 45.5874 -96.6029 45.5883 5.7121 GPRESSURE: 1502000 -40.4443 -39.2874 -94.8642 22.6433 178.947 105.908 -163.547 18.4327 64.5363 PRESSAVG: 1502000 -70.1315 -3.39589 -27.2554 -3.39594 77.0774 21.6912 -27.2553 21.6913 16.0008 GPRESSAVG: 1502000 -71.2688 -2.61562 -27.016 -4.92451 78.3962 20.6308 -28.9482 23.3012 15.5953 TIMING: 1502000 CPU: 4466.76, 0.00296416/step Wall: 4466.76, 0.00296416/step, 2.88018 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: 1502000 777.7683 2037.2089 1918.9754 104.4103 -206577.0775 17948.1507 0.0000 0.0000 34134.7471 -149655.8169 298.1072 -183790.5640 -149555.4092 297.3735 35.3956 67.6795 555746.3332 7.6489 7.5742 PRESSURE: 1502200 -102.971 61.088 6.0773 61.0896 80.3155 -133.164 6.07811 -133.164 -10.6703 GPRESSURE: 1502200 -95.8507 87.177 -44.1513 49.3812 123.278 -208.051 72.4341 -77.7457 28.876 PRESSAVG: 1502200 -24.038 -21.5165 6.273 -21.5164 -38.7142 41.7608 6.27301 41.7608 51.9273 GPRESSAVG: 1502200 -24.002 -20.8653 5.01009 -22.215 -38.9413 41.7589 7.80268 40.7926 51.7533 TIMING: 1502200 CPU: 4467.35, 0.00295762/step Wall: 4467.35, 0.00295762/step, 2.87366 hours remaining, 206.707031 MB of memory in use. ENERGY: 1502200 770.7707 2048.9001 1970.2850 105.8126 -206357.0657 17966.0196 0.0000 0.0000 33870.8393 -149624.4382 295.8025 -183495.2775 -149518.5545 296.9922 -11.1087 18.7678 555591.3745 -3.6083 -3.7300 PRESSURE: 1502400 -23.9556 48.2388 20.1269 48.2373 -247.641 -174.837 20.1253 -174.838 -108.818 GPRESSURE: 1502400 -14.0292 -24.0428 -54.2545 42.9707 -218.396 -190.445 109.772 -158.255 -44.6615 PRESSAVG: 1502400 28.9983 -12.9342 -11.0901 -12.9341 -1.73895 13.1949 -11.09 13.1949 -24.3845 GPRESSAVG: 1502400 28.3682 -13.7398 -10.0785 -10.3645 -0.918489 12.2629 -13.1434 13.973 -24.3876 TIMING: 1502400 CPU: 4467.95, 0.00295431/step Wall: 4467.95, 0.00295431/step, 2.87028 hours remaining, 206.707031 MB of memory in use. ENERGY: 1502400 794.0195 2101.3534 1924.3334 103.7319 -206412.8473 17665.7561 0.0000 0.0000 34095.5264 -149728.1266 297.7647 -183823.6530 -149637.0262 298.4293 -126.8050 -92.3623 556403.9202 0.9583 1.0207 PRESSURE: 1502600 -45.281 -75.3517 -6.59156 -75.3518 -299.094 -18.8624 -6.59091 -18.8622 -235.778 GPRESSURE: 1502600 26.1034 -63.532 -60.2155 -123.202 -308.126 -7.31817 15.7052 -41.6773 -202.999 PRESSAVG: 1502600 -9.40788 -36.6589 8.11088 -36.659 -19.2428 9.84939 8.1109 9.84947 -33.7053 GPRESSAVG: 1502600 -8.39172 -37.1628 8.12444 -36.5943 -20.2133 7.68207 8.196 9.97305 -34.1597 TIMING: 1502600 CPU: 4468.54, 0.00298978/step Wall: 4468.54, 0.00298978/step, 2.90458 hours remaining, 206.707031 MB of memory in use. ENERGY: 1502600 771.5573 2009.8198 1931.6714 114.7001 -206386.2291 17668.7146 0.0000 0.0000 34221.1332 -149668.6327 298.8617 -183889.7659 -149568.1410 297.6276 -193.3845 -161.6736 556242.1386 -20.7853 -20.9216 PRESSURE: 1502800 -237.191 82.539 -3.31029 82.5403 -97.1556 -89.1859 -3.31024 -89.1854 -29.6507 GPRESSURE: 1502800 -168.279 19.2649 -32.4223 67.7715 -93.0127 -98.5162 -16.6307 -102.955 -14.7573 PRESSAVG: 1502800 34.553 8.90043 22.2554 8.90047 -53.657 -8.6397 22.2554 -8.63963 16.1347 GPRESSAVG: 1502800 33.9495 8.74604 23.2384 9.70679 -53.2172 -5.48779 23.5309 -8.94621 16.0998 TIMING: 1502800 CPU: 4469.14, 0.00298406/step Wall: 4469.14, 0.00298406/step, 2.89884 hours remaining, 206.707031 MB of memory in use. ENERGY: 1502800 715.2590 2117.4906 1949.7917 113.4958 -206226.3214 17546.2893 0.0000 0.0000 34132.7654 -149651.2296 298.0899 -183783.9950 -149550.1271 297.4539 -121.3326 -92.0163 556133.0703 -0.9898 -1.0560 PRESSURE: 1503000 -25.6442 27.086 -46.7594 27.0863 141.054 73.1047 -46.7585 73.1046 -219.812 GPRESSURE: 1503000 -23.4525 6.83585 23.6566 99.3907 159.764 173.485 -104.184 -9.74462 -144.344 PRESSAVG: 1503000 -38.4048 -7.48405 -31.4558 -7.48398 21.2675 19.1904 -31.4558 19.1904 -15.4881 GPRESSAVG: 1503000 -38.3716 -7.03228 -31.2427 -7.1257 22.1542 18.8101 -32.2373 18.5257 -17.0369 TIMING: 1503000 CPU: 4469.74, 0.0030079/step Wall: 4469.74, 0.0030079/step, 2.92184 hours remaining, 206.707031 MB of memory in use. ENERGY: 1503000 738.8923 2099.1658 1955.7302 121.8429 -206484.3269 17806.6267 0.0000 0.0000 34052.5077 -149709.5613 297.3890 -183762.0690 -149608.7390 298.2005 -34.8005 -2.6775 555834.3694 -10.8752 -11.0848 PRESSURE: 1503200 -527.62 -122.562 38.3283 -122.562 -264.643 -54.3831 38.3285 -54.384 -134.738 GPRESSURE: 1503200 -489.497 -124.618 16.5296 -174.902 -205.57 -35.4663 24.6382 -116.688 -138.524 PRESSAVG: 1503200 -40.0314 9.68733 9.96 9.68739 41.2876 -8.13031 9.96007 -8.13029 17.3752 GPRESSAVG: 1503200 -40.016 8.33056 8.92197 7.41837 39.6551 -8.54018 10.0348 -8.76346 18.8579 TIMING: 1503200 CPU: 4470.34, 0.00301184/step Wall: 4470.34, 0.00301184/step, 2.92551 hours remaining, 206.707031 MB of memory in use. ENERGY: 1503200 747.6331 2079.7889 1973.1524 102.8142 -205938.1693 17316.4650 0.0000 0.0000 34187.2336 -149531.0823 298.5656 -183718.3159 -149425.3137 298.7257 -309.0005 -277.8635 558840.5403 6.2104 6.1657 PRESSURE: 1503400 -119.257 -135.783 14.9575 -135.783 -371.196 -29.0079 14.9578 -29.0098 -167.677 GPRESSURE: 1503400 -74.8955 -154.402 98.4531 -62.8232 -312.132 -69.094 -127.676 -22.148 -175.965 PRESSAVG: 1503400 -10.0678 -46.8661 5.8848 -46.8661 -6.80247 -25.5096 5.88484 -25.5096 -4.11132 GPRESSAVG: 1503400 -10.2015 -45.9377 7.96714 -46.4133 -6.31402 -25.7147 7.535 -22.8949 -4.56329 TIMING: 1503400 CPU: 4470.94, 0.00299376/step Wall: 4470.94, 0.00299376/step, 2.90778 hours remaining, 206.707031 MB of memory in use. ENERGY: 1503400 779.8876 2044.8175 1956.4422 128.2319 -206212.1261 17534.9437 0.0000 0.0000 34209.2730 -149558.5302 298.7581 -183767.8032 -149461.7554 298.6203 -219.3767 -187.6644 557332.5378 -6.9939 -7.0263 PRESSURE: 1503600 -296.497 -256.588 52.502 -256.588 -20.6792 81.5554 52.5017 81.5542 -199.554 GPRESSURE: 1503600 -317.083 -241.804 120.22 -227.222 -23.5881 147.24 24.8725 -21.7715 -68.1051 PRESSAVG: 1503600 -12.0955 -32.1882 10.9962 -32.1881 19.6775 -20.8349 10.9962 -20.8349 -13.7424 GPRESSAVG: 1503600 -12.7961 -32.3107 7.13315 -30.2855 19.9215 -19.2537 11.4671 -23.5474 -13.3707 TIMING: 1503600 CPU: 4471.54, 0.00299882/step Wall: 4471.54, 0.00299882/step, 2.91253 hours remaining, 206.707031 MB of memory in use. ENERGY: 1503600 718.0296 2050.2255 1962.6971 113.8417 -206023.6955 17433.8846 0.0000 0.0000 34242.9503 -149502.0667 299.0522 -183745.0170 -149400.5383 298.0624 -172.2436 -136.2587 556183.7363 -2.0534 -2.0818 PRESSURE: 1503800 -121.299 -109.415 93.8583 -109.415 -136.257 -123.784 93.8593 -123.787 7.28127 GPRESSURE: 1503800 -50.3035 -96.3092 158.121 -99.3835 -130.64 -89.8781 24.2261 -75.1671 20.5801 PRESSAVG: 1503800 -103.693 -7.64054 69.4717 -7.64051 40.4888 -38.3614 69.4716 -38.3615 31.9283 GPRESSAVG: 1503800 -102.43 -7.45579 70.3125 -8.6143 39.4415 -40.4595 67.9834 -36.8903 31.5489 TIMING: 1503800 CPU: 4472.15, 0.00301994/step Wall: 4472.15, 0.00301994/step, 2.93287 hours remaining, 206.707031 MB of memory in use. ENERGY: 1503800 759.8414 2078.9116 1937.3279 119.8441 -206153.8771 17590.7621 0.0000 0.0000 34106.1814 -149561.0086 297.8578 -183667.1900 -149465.7758 298.1016 -83.4248 -53.4543 557925.5378 -10.4253 -10.4797 PRESSURE: 1504000 143.5 86.6048 -50.0094 86.6061 120.917 15.0584 -50.0086 15.0599 -99.5798 GPRESSURE: 1504000 154.794 24.5268 -14.0934 95.0219 174.283 58.8929 -91.4791 -0.64698 -69.537 PRESSAVG: 1504000 10.2429 44.8819 7.22232 44.8819 -49.0119 13.7668 7.2223 13.7669 79.4164 GPRESSAVG: 1504000 10.9373 43.3054 9.02326 42.541 -48.8703 13.8702 6.04583 14.5209 79.1047 TIMING: 1504000 CPU: 4472.75, 0.00299324/step Wall: 4472.75, 0.00299324/step, 2.90677 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: 1504000 762.3834 2055.3684 1957.7087 117.0200 -206602.4690 18073.4565 0.0000 0.0000 34174.8216 -149461.7105 298.4572 -183636.5321 -149364.7101 298.4159 54.9458 86.5133 556164.4583 13.5492 13.7239 PRESSURE: 1504200 -94.8613 -69.61 -34.2022 -69.6101 36.9548 148.471 -34.2009 148.472 78.6967 GPRESSURE: 1504200 -2.3669 -198.132 -0.564752 8.71422 32.467 124.582 -35.0455 130.422 80.3899 PRESSAVG: 1504200 20.8107 16.2853 -7.66326 16.2853 -22.8962 46.5163 -7.66322 46.5164 25.0899 GPRESSAVG: 1504200 20.1624 16.4238 -9.09611 19.1729 -22.9852 48.5831 -7.68601 45.2164 25.9704 TIMING: 1504200 CPU: 4473.35, 0.00299932/step Wall: 4473.35, 0.00299932/step, 2.91251 hours remaining, 206.707031 MB of memory in use. ENERGY: 1504200 751.5139 2078.2833 1928.2247 100.7117 -206365.0601 17856.4325 0.0000 0.0000 34130.0037 -149519.8902 298.0658 -183649.8940 -149416.9496 298.8431 6.9301 36.8300 557879.5490 7.6681 7.7159 LDB: ============= START OF LOAD BALANCING ============== 4476.78 LDB: ============== END OF LOAD BALANCING =============== 4476.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4476.78 LDB: ============= START OF LOAD BALANCING ============== 4477.08 LDB: Largest compute 4847 load 0.024984 is 21.2% of average load 0.118060 LDB: Average compute 0.001721 is 1.5% of average load 0.118060 LDB: TIME 4477.08 LOAD: AVG 0.11806 MAX 0.203318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.027 MB LDB: TIME 4477.08 LOAD: AVG 0.11806 MAX 0.203318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: TIME 4477.08 LOAD: AVG 0.11806 MAX 0.203318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: ============== END OF LOAD BALANCING =============== 4477.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4477.08 PRESSURE: 1504400 -171.09 121.843 -120.848 121.843 -41.5655 -41.7787 -120.847 -41.7791 -182.711 GPRESSURE: 1504400 -170.579 150.402 -104.684 135.751 -44.9232 -35.1827 -71.2757 -59.9055 -103.548 PRESSAVG: 1504400 -72.7487 16.4032 -12.9649 16.4032 42.4903 36.4986 -12.9648 36.4987 -33.2506 GPRESSAVG: 1504400 -73.3759 16.8773 -11.7116 14.959 42.357 34.5283 -13.0276 37.922 -32.7742 TIMING: 1504400 CPU: 4473.96, 0.00304958/step Wall: 4473.96, 0.00304958/step, 2.96114 hours remaining, 205.941406 MB of memory in use. ENERGY: 1504400 742.3276 2117.3362 1945.0130 122.4632 -205995.3311 17595.9634 0.0000 0.0000 34169.3585 -149302.8693 298.4095 -183472.2277 -149206.7254 298.6862 -131.7888 -106.3501 557296.9450 -21.1697 -21.2644 PRESSURE: 1504600 -219.619 74.9362 -366.801 74.9352 103.321 5.11346 -366.801 5.11352 -84.3332 GPRESSURE: 1504600 -201.608 88.7116 -289.54 89.9393 130.295 9.99068 -413.602 -31.8315 -28.2496 PRESSAVG: 1504600 -28.5674 19.079 -23.0014 19.079 40.7043 24.5669 -23.0016 24.5669 19.7368 GPRESSAVG: 1504600 -28.8627 20.7911 -25.1417 19.3276 41.8032 26.2761 -23.7554 24.0147 18.7095 TIMING: 1504600 CPU: 4474.55, 0.00296516/step Wall: 4474.55, 0.00296516/step, 2.87901 hours remaining, 205.941406 MB of memory in use. ENERGY: 1504600 763.9545 2124.2488 1954.0206 100.9345 -206655.4548 17809.5197 0.0000 0.0000 34362.0060 -149540.7707 300.0919 -183902.7766 -149449.6090 299.0533 -66.8773 -33.1874 556681.2264 10.6246 10.5500 PRESSURE: 1504800 -46.8238 -55.9003 50.0225 -55.9012 -88.8337 -84.4994 50.0228 -84.4997 -299.759 GPRESSURE: 1504800 -33.4155 -13.5571 -35.1146 -63.8786 -43.934 36.2874 58.3609 -104.388 -269.264 PRESSAVG: 1504800 -1.49396 16.6054 -34.9007 16.6053 14.311 -28.0088 -34.9006 -28.0088 -58.8569 GPRESSAVG: 1504800 -3.63519 17.5852 -32.3528 14.0929 15.1206 -26.6712 -35.4351 -28.4182 -58.0018 TIMING: 1504800 CPU: 4475.14, 0.00298143/step Wall: 4475.14, 0.00298143/step, 2.89464 hours remaining, 205.941406 MB of memory in use. ENERGY: 1504800 761.3323 2072.9475 1957.6404 105.8473 -206276.8262 17714.4805 0.0000 0.0000 34249.9214 -149414.6568 299.1131 -183664.5782 -149319.7681 298.5470 -145.1388 -115.5378 556893.7323 -15.3466 -15.5055 PRESSURE: 1505000 279.198 -56.6161 -172.989 -56.6181 2.65612 37.8635 -172.991 37.8647 146.851 GPRESSURE: 1505000 305.363 -28.8166 -127.133 -5.56536 -5.31601 19.6197 -153.817 63.2843 217.969 PRESSAVG: 1505000 8.13889 26.96 -38.9274 26.9601 -4.36595 -34.8969 -38.9275 -34.8969 5.01851 GPRESSAVG: 1505000 9.1055 25.7915 -38.6041 28.0774 -4.72645 -39.6038 -39.6785 -32.7718 4.34087 TIMING: 1505000 CPU: 4475.74, 0.00296869/step Wall: 4475.74, 0.00296869/step, 2.8821 hours remaining, 205.941406 MB of memory in use. ENERGY: 1505000 752.4388 2163.5875 1950.4932 113.4190 -206684.4942 18151.6383 0.0000 0.0000 34095.2253 -149457.6922 297.7621 -183552.9174 -149362.0203 298.7494 142.9015 172.6720 556974.5207 2.9305 2.9066 PRESSURE: 1505200 -44.7211 -12.4636 175.471 -12.4634 197.56 -73.0331 175.47 -73.0333 0.216132 GPRESSURE: 1505200 -67.5384 29.8275 176.03 -65.3334 190.36 29.1922 139.349 -147.666 136.732 PRESSAVG: 1505200 -27.2857 40.9968 7.39944 40.9969 19.8694 -38.803 7.39942 -38.8029 -19.1968 GPRESSAVG: 1505200 -26.7217 40.1638 4.47936 43.0357 19.0235 -34.7331 8.85481 -43.0464 -18.6552 TIMING: 1505200 CPU: 4476.33, 0.00297849/step Wall: 4476.33, 0.00297849/step, 2.89145 hours remaining, 205.941406 MB of memory in use. ENERGY: 1505200 736.6272 2086.9095 1925.0552 118.5989 -206248.5901 17748.2315 0.0000 0.0000 34140.5278 -149492.6399 298.1577 -183633.1678 -149391.3755 298.4553 51.0184 86.5178 556084.3143 -8.8710 -8.7845 PRESSURE: 1505400 148.022 94.6882 -40.1557 94.6883 -80.4539 11.33 -40.156 11.3292 291.851 GPRESSURE: 1505400 103.296 75.1043 -138.282 199.205 37.9993 -59.4046 76.7934 112.581 313.272 PRESSAVG: 1505400 -4.43464 50.7927 -34.9247 50.7926 25.8171 -52.9357 -34.9247 -52.9357 -10.6773 GPRESSAVG: 1505400 -5.89272 50.0419 -33.5707 50.5366 27.3892 -51.7252 -34.4462 -52.7985 -10.548 TIMING: 1505400 CPU: 4476.93, 0.00299868/step Wall: 4476.93, 0.00299868/step, 2.91089 hours remaining, 205.941406 MB of memory in use. ENERGY: 1505400 730.3309 2099.8006 1943.0876 118.3652 -206805.4390 18121.2971 0.0000 0.0000 34315.8173 -149476.7404 299.6886 -183792.5578 -149386.8235 298.2265 119.8064 151.5225 557243.5387 3.5684 3.6495 PRESSURE: 1505600 133.541 21.0473 -2.77505 21.0475 -27.6376 -31.9217 -2.775 -31.922 276.431 GPRESSURE: 1505600 219.307 91.328 -46.1128 17.6859 21.9497 48.6366 29.8428 -9.2825 238.114 PRESSAVG: 1505600 -22.5058 -26.7292 18.191 -26.7292 12.3586 -10.3884 18.1911 -10.3885 30.4451 GPRESSAVG: 1505600 -21.5135 -26.796 17.6317 -25.9534 11.765 -11.9308 17.2887 -8.11271 30.1422 TIMING: 1505600 CPU: 4477.53, 0.00298505/step Wall: 4477.53, 0.00298505/step, 2.89748 hours remaining, 205.941406 MB of memory in use. ENERGY: 1505600 749.5121 2086.6537 1954.3120 109.2128 -207036.1352 18300.9479 0.0000 0.0000 34359.3623 -149476.1344 300.0689 -183835.4967 -149382.0207 298.0316 127.4448 159.7902 556429.4330 6.7659 6.7979 PRESSURE: 1505800 56.1171 37.5335 -66.5557 37.5334 124.833 -68.0611 -66.5549 -68.0614 15.5088 GPRESSURE: 1505800 100.689 36.3139 -39.8881 -48.0169 149.053 -64.2237 -78.9054 -89.5402 32.7102 PRESSAVG: 1505800 23.3351 -19.747 8.33214 -19.747 -32.4792 0.529336 8.33208 0.529422 12.6175 GPRESSAVG: 1505800 23.0934 -18.3865 7.18483 -21.6689 -31.6842 0.929334 7.52491 -1.24464 12.5579 TIMING: 1505800 CPU: 4478.14, 0.00303651/step Wall: 4478.14, 0.00303651/step, 2.94727 hours remaining, 205.941406 MB of memory in use. ENERGY: 1505800 701.2683 2023.8954 1969.7406 118.3800 -206398.6578 17829.6786 0.0000 0.0000 34287.6818 -149468.0131 299.4429 -183755.6949 -149371.2473 298.2268 65.4862 94.1508 555209.1701 1.1578 1.3224 PRESSURE: 1506000 -83.5575 130.469 -239.405 130.47 64.6726 -166.399 -239.405 -166.398 191.099 GPRESSURE: 1506000 -45.2495 158.801 -287.567 53.7871 143.937 -104.154 -197 -153.84 165.435 PRESSAVG: 1506000 -38.8236 -41.7697 23.091 -41.7697 25.8077 -25.4069 23.091 -25.4068 62.6924 GPRESSAVG: 1506000 -38.7209 -40.9586 23.5141 -42.5398 25.3656 -25.4714 23.6203 -25.0751 62.9401 TIMING: 1506000 CPU: 4478.74, 0.00302758/step Wall: 4478.74, 0.00302758/step, 2.93844 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: 1506000 726.3316 2076.4127 1961.1436 118.4890 -206564.9300 17939.2822 0.0000 0.0000 34170.4828 -149572.7881 298.4193 -183743.2709 -149475.0591 298.5174 57.4047 88.0407 556278.7370 16.5588 16.5283 PRESSURE: 1506200 73.4525 170.544 38.0371 170.545 -53.0698 168.426 38.0368 168.427 -3.06804 GPRESSURE: 1506200 110.636 145.229 34.7051 201.381 27.3442 164.141 25.3416 150.121 -30.053 PRESSAVG: 1506200 -52.7035 21.8589 9.24413 21.8588 47.5334 -3.62118 9.24407 -3.62117 12.2872 GPRESSAVG: 1506200 -53.0757 19.5805 10.0808 22.8263 47.439 -3.6896 9.76496 -2.98919 11.6557 TIMING: 1506200 CPU: 4479.35, 0.00303187/step Wall: 4479.35, 0.00303187/step, 2.94243 hours remaining, 206.199219 MB of memory in use. ENERGY: 1506200 780.6948 2123.9905 1948.0897 99.5964 -206633.7857 17936.8675 0.0000 0.0000 34329.6864 -149414.8603 299.8097 -183744.5467 -149324.1085 298.0094 5.7716 35.9757 558064.0307 2.3724 2.0063 PRESSURE: 1506400 240.98 16.2161 -87.7187 16.2152 67.2752 20.1054 -87.7172 20.1084 -29.7792 GPRESSURE: 1506400 253.046 -24.2879 -23.8338 25.9948 135.642 -6.39433 -145.553 25.2527 -10.3532 PRESSAVG: 1506400 6.86053 -17.8218 -0.840322 -17.8218 18.1027 17.1311 -0.840342 17.131 4.57631 GPRESSAVG: 1506400 5.75693 -18.289 -0.425652 -17.726 16.9788 17.4909 -1.46548 16.9045 6.60363 TIMING: 1506400 CPU: 4479.96, 0.00303875/step Wall: 4479.96, 0.00303875/step, 2.94894 hours remaining, 206.199219 MB of memory in use. ENERGY: 1506400 752.4823 2175.3379 1950.9007 117.1610 -206431.2015 17948.7134 0.0000 0.0000 34079.8297 -149406.7766 297.6276 -183486.6063 -149314.4482 298.8756 92.8253 126.1115 558180.9170 9.8465 9.7798 PRESSURE: 1506600 -94.2104 48.1252 -142.14 48.1248 -73.7223 79.0712 -142.139 79.0705 310.929 GPRESSURE: 1506600 -73.9063 -13.9321 -100.607 -22.2661 -35.1612 78.471 -145.28 158.606 365.634 PRESSAVG: 1506600 26.9392 -28.3405 -52.9559 -28.3405 -68.4642 24.6544 -52.956 24.6543 -0.243173 GPRESSAVG: 1506600 26.9353 -26.434 -54.2755 -28.5787 -68.0401 23.401 -52.808 25.8612 -1.01886 TIMING: 1506600 CPU: 4480.56, 0.00302635/step Wall: 4480.56, 0.00302635/step, 2.93674 hours remaining, 206.199219 MB of memory in use. ENERGY: 1506600 759.2847 2072.8661 1951.8236 113.1196 -206419.8400 17999.5967 0.0000 0.0000 34198.1147 -149325.0347 298.6606 -183523.1493 -149233.6105 299.1092 47.6653 85.5223 556675.3976 -13.9227 -14.0412 PRESSURE: 1506800 102.694 -148.955 47.0709 -148.955 154.716 171.736 47.0715 171.736 302.618 GPRESSURE: 1506800 119.49 -113.144 57.027 -156.232 201.596 123.257 2.89907 182.393 332.377 PRESSAVG: 1506800 19.3543 22.8537 -7.39491 22.8537 -6.45787 -8.19095 -7.39505 -8.1908 -2.07466 GPRESSAVG: 1506800 19.3372 21.7875 -6.58002 22.5937 -5.93594 -7.47236 -6.62885 -8.96823 -1.95469 TIMING: 1506800 CPU: 4481.17, 0.00300991/step Wall: 4481.17, 0.00300991/step, 2.92062 hours remaining, 206.199219 MB of memory in use. ENERGY: 1506800 712.9415 2040.0649 1965.2910 113.7511 -206733.5144 18205.2945 0.0000 0.0000 34283.8766 -149412.2947 299.4096 -183696.1713 -149311.3197 298.7676 186.6760 217.8212 557616.8807 3.6073 3.8155 PRESSURE: 1507000 -348.328 -50.3697 62.4702 -50.3704 -167.569 22.4402 62.4698 22.4409 -174.657 GPRESSURE: 1507000 -294.529 -22.9676 39.561 -30.662 -132.512 17.0385 115.72 -73.3223 -165.967 PRESSAVG: 1507000 -7.39363 -0.668472 38.8817 -0.668525 59.3215 79.1409 38.8816 79.1409 -23.4572 GPRESSAVG: 1507000 -6.93089 -0.243031 38.1556 -0.733766 60.2941 79.2481 39.7332 79.5255 -24.1675 TIMING: 1507000 CPU: 4481.77, 0.00300225/step Wall: 4481.77, 0.00300225/step, 2.91302 hours remaining, 206.199219 MB of memory in use. ENERGY: 1507000 781.5531 2045.0296 1947.2312 110.1642 -206179.5732 17661.0346 0.0000 0.0000 34139.8936 -149494.6670 298.1522 -183634.5606 -149399.0263 297.8764 -230.1848 -197.6694 559341.8564 9.4902 9.7319 PRESSURE: 1507200 -7.40942 39.1563 -76.0861 39.157 263.477 -119.056 -76.0861 -119.056 -104.295 GPRESSURE: 1507200 30.7238 54.6304 11.0718 9.34848 285.09 -57.3884 -155.551 -211.815 -67.012 PRESSAVG: 1507200 -26.2524 12.2032 17.5784 12.2033 16.612 3.46168 17.5783 3.46153 -50.4045 GPRESSAVG: 1507200 -25.7954 13.282 19.9109 12.3484 15.2868 4.38214 15.1542 2.32925 -49.6524 TIMING: 1507200 CPU: 4482.36, 0.00298169/step Wall: 4482.36, 0.00298169/step, 2.8929 hours remaining, 206.199219 MB of memory in use. ENERGY: 1507200 714.9313 2110.1339 1958.2920 106.8884 -206396.6897 17872.7354 0.0000 0.0000 34121.6461 -149512.0627 297.9928 -183633.7088 -149414.8327 297.9590 50.5908 82.9338 558456.0220 -20.0150 -20.0537 PRESSURE: 1507400 -2.69775 -57.6598 87.0078 -57.6589 -78.7388 122.787 87.0069 122.787 -243.133 GPRESSURE: 1507400 2.54831 -17.0198 37.7816 -174.693 2.00034 94.4859 73.3139 191.383 -229.421 PRESSAVG: 1507400 3.60961 -34.0729 -10.9651 -34.0728 -42.0613 79.6605 -10.9653 79.6605 53.0455 GPRESSAVG: 1507400 2.33818 -34.2519 -10.6947 -34.1349 -40.0021 79.0081 -12.945 80.9736 52.0741 TIMING: 1507400 CPU: 4482.96, 0.00298065/step Wall: 4482.96, 0.00298065/step, 2.89172 hours remaining, 206.199219 MB of memory in use. ENERGY: 1507400 747.3513 2065.6512 1962.2079 114.0842 -206139.4412 17730.2688 0.0000 0.0000 34063.4048 -149456.4731 297.4842 -183519.8779 -149361.6277 298.1183 -108.1900 -74.9575 559540.0481 4.8646 4.8034 PRESSURE: 1507600 -286.778 -58.3029 141.424 -58.3038 -137.949 -54.657 141.423 -54.6569 -385.064 GPRESSURE: 1507600 -286.367 -36.4523 144.187 -92.2482 -115.986 -40.6754 152.704 -43.126 -334.138 PRESSAVG: 1507600 -27.7815 -46.3927 51.9798 -46.3928 117.76 -6.26335 51.9797 -6.26324 -85.2179 GPRESSAVG: 1507600 -26.5306 -47.2834 48.2308 -46.6858 115.959 -4.37811 55.4919 -7.23308 -85.0365 TIMING: 1507600 CPU: 4483.55, 0.00297445/step Wall: 4483.55, 0.00297445/step, 2.88555 hours remaining, 206.199219 MB of memory in use. ENERGY: 1507600 760.5864 2113.6641 1958.4580 121.6384 -206149.3906 17642.5148 0.0000 0.0000 34243.9299 -149308.5991 299.0608 -183552.5290 -149210.8484 298.5926 -269.9304 -245.4969 559144.9643 1.5869 1.4639 PRESSURE: 1507800 229.017 149.903 -43.7255 149.901 14.5806 98.7021 -43.7258 98.7017 45.9738 GPRESSURE: 1507800 203.913 206.512 -48.2881 74.936 86.9031 25.6172 26.8492 100.166 82.4538 PRESSAVG: 1507800 -18.7834 40.8528 -42.8065 40.8527 25.9244 19.3957 -42.8064 19.3956 28.2008 GPRESSAVG: 1507800 -18.7007 40.06 -41.5412 41.5537 25.1549 18.1547 -44.0204 20.2013 28.1265 TIMING: 1507800 CPU: 4484.14, 0.00295896/step Wall: 4484.14, 0.00295896/step, 2.87036 hours remaining, 206.199219 MB of memory in use. ENERGY: 1507800 733.0432 2098.7067 1961.1925 113.8571 -206304.9574 17972.9383 0.0000 0.0000 34215.1143 -149210.1054 298.8091 -183425.2197 -149116.4256 299.3093 96.5237 124.4234 557821.2264 11.7806 11.5269 PRESSURE: 1508000 -19.7793 63.6492 -88.8116 63.6494 185.98 74.0365 -88.8133 74.0373 97.9942 GPRESSURE: 1508000 -49.9418 136.951 -54.6649 50.2033 243.562 31.1248 -79.5952 79.1322 167.002 PRESSAVG: 1508000 -88.0817 61.9095 -29.7034 61.9095 30.3223 3.36557 -29.7034 3.36559 24.6417 GPRESSAVG: 1508000 -90.0089 64.3487 -29.9097 59.9978 30.5741 3.83356 -30.5334 2.98077 26.1132 TIMING: 1508000 CPU: 4484.74, 0.0029767/step Wall: 4484.74, 0.0029767/step, 2.8874 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: 1508000 744.5428 2089.3921 1951.9406 114.1393 -206034.4940 17804.6099 0.0000 0.0000 34199.3596 -149130.5097 298.6715 -183329.8693 -149035.3593 299.6725 88.0650 120.2072 557287.2845 -11.0392 -11.1072 PRESSURE: 1508200 -190.393 -124.945 84.5919 -124.943 57.5307 3.11914 84.5918 3.11873 230.452 GPRESSURE: 1508200 -124.414 -121.055 104.517 -68.1704 17.4184 -11.3165 52.4914 -36.2585 290.721 PRESSAVG: 1508200 -28.4323 63.4776 -25.0442 63.4774 -13.4668 66.3553 -25.0443 66.3553 43.6286 GPRESSAVG: 1508200 -27.4156 62.7599 -25.7003 63.6986 -14.5486 64.6261 -22.4997 68.1579 43.2268 TIMING: 1508200 CPU: 4485.33, 0.00297237/step Wall: 4485.33, 0.00297237/step, 2.88303 hours remaining, 206.199219 MB of memory in use. ENERGY: 1508200 762.8785 2041.0336 1955.3918 116.7347 -206292.9476 18015.9244 0.0000 0.0000 34209.3508 -149191.6339 298.7588 -183400.9846 -149100.2077 299.4266 32.5301 61.2419 559203.1887 0.5765 0.4209 LDB: ============= START OF LOAD BALANCING ============== 4488.77 LDB: ============== END OF LOAD BALANCING =============== 4488.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4488.77 LDB: ============= START OF LOAD BALANCING ============== 4489.07 LDB: Largest compute 4847 load 0.023962 is 20.3% of average load 0.118006 LDB: Average compute 0.001719 is 1.5% of average load 0.118006 LDB: TIME 4489.07 LOAD: AVG 0.118006 MAX 0.200997 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 4489.07 LOAD: AVG 0.118006 MAX 0.200997 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.414 MB LDB: TIME 4489.07 LOAD: AVG 0.118006 MAX 0.200997 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.414 MB LDB: ============== END OF LOAD BALANCING =============== 4489.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4489.08 PRESSURE: 1508400 -14.5926 44.9578 -56.2447 44.9565 -87.4117 -18.2715 -56.2434 -18.2701 36.4644 GPRESSURE: 1508400 12.196 69.1117 -86.0781 36.3596 -34.2352 -24.0063 -65.2076 -19.4694 50.3472 PRESSAVG: 1508400 -6.43976 -42.6141 21.1424 -42.6142 41.9616 -25.2861 21.1424 -25.2861 10.6821 GPRESSAVG: 1508400 -6.93334 -43.1436 22.3587 -41.1809 44.8861 -26.9343 18.9429 -24.7038 8.75754 TIMING: 1508400 CPU: 4485.95, 0.00307254/step Wall: 4485.95, 0.00307254/step, 2.98003 hours remaining, 204.906250 MB of memory in use. ENERGY: 1508400 747.9230 2076.3976 1951.7071 113.0879 -206031.7043 17671.1700 0.0000 0.0000 34320.5610 -149150.8578 299.7300 -183471.4188 -149056.5901 299.2754 -21.8466 9.4360 558393.8537 15.4013 15.5701 PRESSURE: 1508600 -430.194 72.8364 53.9484 72.837 -1.44772 126.164 53.9483 126.164 -324.344 GPRESSURE: 1508600 -425.356 78.5104 109.148 75.3304 31.9212 92.5152 12.7833 149.617 -267.366 PRESSAVG: 1508600 0.86807 26.3078 26.5797 26.3077 28.8201 15.8311 26.5797 15.8312 -20.9349 GPRESSAVG: 1508600 1.17158 25.7942 26.9001 25.7625 27.0557 18.4847 26.1608 12.1436 -19.9779 TIMING: 1508600 CPU: 4486.55, 0.00300839/step Wall: 4486.55, 0.00300839/step, 2.91764 hours remaining, 204.906250 MB of memory in use. ENERGY: 1508600 746.6619 1973.8718 1931.2302 103.2690 -205455.2556 17459.3768 0.0000 0.0000 34101.0013 -149139.8448 297.8125 -183240.8460 -149045.4340 299.7470 -251.9954 -220.2670 559054.5293 2.9178 2.7498 PRESSURE: 1508800 -13.4399 -21.6011 -47.2481 -21.6002 252.507 15.9681 -47.2478 15.9668 165.582 GPRESSURE: 1508800 -5.40051 -112.298 -45.8558 -39.6169 329.48 -40.7209 -111.67 72.2775 186.713 PRESSAVG: 1508800 -88.9427 -13.0592 -9.33921 -13.0592 26.8763 -35.2814 -9.33928 -35.2813 38.461 GPRESSAVG: 1508800 -88.146 -11.604 -9.77546 -13.4909 26.3202 -36.4843 -9.81567 -32.2119 38.0438 TIMING: 1508800 CPU: 4487.15, 0.00301196/step Wall: 4487.15, 0.00301196/step, 2.92093 hours remaining, 204.906250 MB of memory in use. ENERGY: 1508800 743.2242 2096.1220 1917.0748 111.1778 -206556.2404 18028.9591 0.0000 0.0000 34604.5173 -149055.1652 302.2099 -183659.6826 -148961.6463 299.7104 134.8830 170.2643 558028.2981 -7.8685 -7.9274 PRESSURE: 1509000 -40.4912 -126.554 3.32082 -126.554 -6.5139 -245.804 3.32218 -245.804 59.9139 GPRESSURE: 1509000 39.04 -235.432 -24.8055 -60.6175 0.107901 -211.369 111.334 -184.922 69.8874 PRESSAVG: 1509000 -46.5109 -14.492 40.3274 -14.492 63.4883 -74.007 40.3274 -74.0071 28.8871 GPRESSAVG: 1509000 -46.769 -15.9102 40.8838 -13.3945 63.711 -72.0829 40.0895 -76.654 28.4362 TIMING: 1509000 CPU: 4487.75, 0.00300137/step Wall: 4487.75, 0.00300137/step, 2.91049 hours remaining, 204.906250 MB of memory in use. ENERGY: 1509000 733.2630 2103.9347 1951.7206 117.1633 -205884.1050 17689.5587 0.0000 0.0000 34311.4845 -148976.9802 299.6507 -183288.4647 -148888.1715 299.7220 4.3029 36.3451 557878.4800 15.2882 15.1261 PRESSURE: 1509200 57.2868 79.3178 87.2561 79.3172 -51.5389 -80.8082 87.256 -80.8092 17.4194 GPRESSURE: 1509200 57.8131 105.452 70.5936 103.415 -18.1627 4.13671 107.32 -131.317 95.1436 PRESSAVG: 1509200 9.02224 -9.07014 32.0409 -9.07013 -31.1463 -59.2058 32.0409 -59.2058 -1.44459 GPRESSAVG: 1509200 8.37211 -8.90149 33.8725 -9.34453 -31.3869 -61.3775 32.6513 -56.2558 -0.677364 TIMING: 1509200 CPU: 4488.35, 0.0029735/step Wall: 4488.35, 0.0029735/step, 2.88331 hours remaining, 204.906250 MB of memory in use. ENERGY: 1509200 746.7554 2116.0538 1957.0950 111.8261 -205987.1930 17731.4016 0.0000 0.0000 34295.7880 -149028.2732 299.5136 -183324.0612 -148932.9025 299.6584 7.7224 44.9313 557350.7662 -7.8562 -7.8974 PRESSURE: 1509400 -3.58507 16.9352 -37.407 16.9338 125.909 58.1143 -37.4073 58.1141 214.833 GPRESSURE: 1509400 19.6374 65.3933 -26.312 -16.5392 188.981 85.5605 16.6956 81.6697 235.996 PRESSAVG: 1509400 8.21944 3.62062 15.1794 3.62055 -13.1202 -25.8686 15.1794 -25.8686 -13.7904 GPRESSAVG: 1509400 8.76873 4.86229 13.2013 3.70675 -12.9077 -25.0202 16.5765 -27.0187 -14.4305 TIMING: 1509400 CPU: 4488.95, 0.00298823/step Wall: 4488.95, 0.00298823/step, 2.89742 hours remaining, 204.906250 MB of memory in use. ENERGY: 1509400 716.0075 2099.0294 1955.3882 117.4727 -206319.5355 18006.4110 0.0000 0.0000 34222.3154 -149202.9114 298.8720 -183425.2268 -149108.1481 299.0696 112.3859 148.2047 557291.5471 -6.2304 -6.1898 PRESSURE: 1509600 -201.989 161.114 -46.4985 161.113 -142.125 -169.84 -46.4963 -169.84 -70.7694 GPRESSURE: 1509600 -167.128 116.238 -109.478 90.5186 -113.664 -195.633 -19.2749 -145.485 -33.866 PRESSAVG: 1509600 -25.2311 -13.5661 -0.426722 -13.5661 -30.0689 -50.3375 -0.426779 -50.3376 63.7954 GPRESSAVG: 1509600 -26.3447 -13.5747 0.375469 -14.6213 -29.4877 -49.6703 -1.95823 -51.8698 63.7808 TIMING: 1509600 CPU: 4489.54, 0.00297889/step Wall: 4489.54, 0.00297889/step, 2.8882 hours remaining, 204.906250 MB of memory in use. ENERGY: 1509600 715.9039 2051.6443 1934.1180 106.1603 -205989.1910 17621.4516 0.0000 0.0000 34280.7981 -149279.1149 299.3827 -183559.9130 -149183.9607 299.6928 -138.2944 -104.8859 557143.4486 2.8318 2.6495 PRESSURE: 1509800 280.862 56.6783 -32.9953 56.6789 33.6815 75.8543 -32.9953 75.8559 -16.7615 GPRESSURE: 1509800 317.542 71.6012 -156.326 55.3341 74.3735 119.262 1.97684 97.3189 -4.51455 PRESSAVG: 1509800 -25.1483 61.3594 13.0353 61.3595 -17.7528 -45.1544 13.0352 -45.1544 80.8929 GPRESSAVG: 1509800 -25.4758 60.4072 10.3769 63.1594 -18.3122 -45.5423 16.1384 -43.8513 81.0602 TIMING: 1509800 CPU: 4490.14, 0.00299273/step Wall: 4490.14, 0.00299273/step, 2.90146 hours remaining, 204.906250 MB of memory in use. ENERGY: 1509800 762.3992 2080.2663 1944.5607 113.2015 -206728.5392 18108.1074 0.0000 0.0000 34431.2239 -149288.7803 300.6964 -183720.0042 -149197.4668 299.6462 99.2608 129.1338 556844.9631 12.6639 12.4240 PRESSURE: 1510000 55.4694 3.64571 -100.563 3.64495 -69.0677 -77.1559 -100.562 -77.1566 104.467 GPRESSURE: 1510000 123.094 58.3109 -87.6124 -34.4133 -50.6737 -76.3803 -49.8719 -36.7493 134.828 PRESSAVG: 1510000 -42.7883 17.3972 7.7282 17.3972 12.5186 -34.8708 7.72815 -34.8707 33.8375 GPRESSAVG: 1510000 -42.6239 17.1425 10.088 16.4838 13.4419 -33.9729 5.89847 -35.0768 32.5714 TIMING: 1510000 CPU: 4490.74, 0.00299939/step Wall: 4490.74, 0.00299939/step, 2.90774 hours remaining, 204.906250 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: 1510000 774.9683 2126.2090 1932.2699 106.8551 -206019.7010 17741.4544 0.0000 0.0000 34134.3297 -149203.6148 298.1036 -183337.9444 -149109.5105 299.1058 30.2895 69.0829 556163.5424 1.1893 1.1298 PRESSURE: 1510200 -15.5984 25.9743 -21.6798 25.9756 -259.572 98.025 -21.6799 98.0259 14.8265 GPRESSURE: 1510200 22.7938 -69.2486 -25.782 101.734 -235.105 151.401 -63.7964 41.8468 55.2668 PRESSAVG: 1510200 37.6397 34.2784 7.25411 34.2784 -54.2221 -9.75041 7.25412 -9.7505 -12.6594 GPRESSAVG: 1510200 37.6756 33.9375 8.85463 35.5395 -55.4246 -9.27219 4.74073 -11.3401 -11.9224 TIMING: 1510200 CPU: 4491.34, 0.00298273/step Wall: 4491.34, 0.00298273/step, 2.89142 hours remaining, 204.906250 MB of memory in use. ENERGY: 1510200 801.9988 2102.6288 1942.3588 123.3522 -206217.3430 17880.3248 0.0000 0.0000 34280.3406 -149086.3390 299.3787 -183366.6796 -148993.4206 299.6397 -86.7814 -52.3483 557545.5364 -9.7473 -9.8905 PRESSURE: 1510400 -175.078 -101.813 -84.4954 -101.813 107.847 -42.14 -84.4952 -42.1401 -66.2955 GPRESSURE: 1510400 -168.249 -116.86 -35.3512 -180.702 190.678 -144.213 -61.0009 -37.7801 -68.5814 PRESSAVG: 1510400 -3.04565 -47.0442 32.5792 -47.0442 -17.9787 -5.12434 32.5792 -5.12428 -24.3177 GPRESSAVG: 1510400 -3.00987 -46.4645 32.1627 -47.6589 -18.0201 -6.51337 35.0805 -3.55219 -24.0829 TIMING: 1510400 CPU: 4491.93, 0.00294922/step Wall: 4491.93, 0.00294922/step, 2.85877 hours remaining, 204.906250 MB of memory in use. ENERGY: 1510400 716.2113 2081.9481 1971.2121 106.4416 -206042.1521 17627.2778 0.0000 0.0000 34292.9218 -149246.1395 299.4886 -183539.0614 -149151.1923 299.4838 -44.5085 -15.3844 556876.8186 -15.1140 -15.0376 PRESSURE: 1510600 122.321 154.169 -96.6461 154.168 -295.357 108.857 -96.6453 108.858 -28.0066 GPRESSURE: 1510600 109.992 187.627 -175.035 142.144 -249.116 66.3455 -20.5431 115.632 30.9026 PRESSAVG: 1510600 -12.9564 -39.2567 -25.2466 -39.2567 0.784382 24.9716 -25.2467 24.9716 27.265 GPRESSAVG: 1510600 -13.2594 -37.7476 -27.7082 -38.1258 2.21105 23.3108 -25.3657 26.3769 26.0107 TIMING: 1510600 CPU: 4492.52, 0.00296643/step Wall: 4492.52, 0.00296643/step, 2.8753 hours remaining, 204.906250 MB of memory in use. ENERGY: 1510600 699.2896 2095.6093 1955.3588 102.0373 -206225.7639 17729.7628 0.0000 0.0000 34479.9160 -149163.7900 301.1217 -183643.7060 -149067.6457 299.6645 -67.0140 -36.0738 556306.5851 5.0310 4.9875 PRESSURE: 1510800 83.7809 16.1535 2.60034 16.1543 116.155 -131.856 2.60059 -131.857 86.4312 GPRESSURE: 1510800 109.4 -46.2312 -32.8514 83.9902 153.498 -135.841 30.1271 -47.7387 100.766 PRESSAVG: 1510800 19.9378 2.79021 -35.1211 2.79023 -17.5239 -16.7466 -35.1211 -16.7468 -37.0501 GPRESSAVG: 1510800 20.2778 0.428399 -35.1565 1.55284 -17.8878 -14.8002 -35.8957 -18.8171 -37.0368 TIMING: 1510800 CPU: 4493.11, 0.00296978/step Wall: 4493.11, 0.00296978/step, 2.87837 hours remaining, 204.906250 MB of memory in use. ENERGY: 1510800 704.4854 2095.8343 1949.8320 109.2054 -206443.9598 18021.7977 0.0000 0.0000 34352.9695 -149209.8356 300.0130 -183562.8051 -149111.1742 299.2079 95.4558 121.2216 558243.3879 -11.5454 -11.5489 PRESSURE: 1511000 -178.424 80.1869 -96.7857 80.187 -39.0254 140.71 -96.785 140.712 217.703 GPRESSURE: 1511000 -136.001 61.1325 -63.6237 141.913 -17.5796 110.949 -147.324 91.3398 249.32 PRESSAVG: 1511000 -36.0846 -28.1988 -32.2015 -28.1989 -42.0603 16.5951 -32.2014 16.5951 93.6698 GPRESSAVG: 1511000 -36.7674 -27.33 -31.2028 -28.0117 -42.3604 16.0697 -31.6422 15.7488 94.1875 TIMING: 1511000 CPU: 4493.71, 0.00298739/step Wall: 4493.71, 0.00298739/step, 2.89527 hours remaining, 204.906250 MB of memory in use. ENERGY: 1511000 742.2003 2117.7093 1952.7248 110.6543 -206318.9675 18012.8180 0.0000 0.0000 34365.3129 -149017.5479 300.1208 -183382.8609 -148920.3420 300.3329 0.0845 31.9131 558289.1786 5.1750 5.0199 PRESSURE: 1511200 -179.267 12.4424 -68.5881 12.4422 162.058 -205.231 -68.5873 -205.231 219.467 GPRESSURE: 1511200 -142.521 -44.8189 -13.1027 78.1504 194.471 -141.422 -107.981 -236.609 241.29 PRESSAVG: 1511200 5.86931 52.13 5.4002 52.13 -24.6958 -9.6586 5.40021 -9.65862 53.3969 GPRESSAVG: 1511200 6.21776 51.2784 4.96001 53.4098 -25.7943 -9.44452 4.73175 -10.0657 53.9714 TIMING: 1511200 CPU: 4494.31, 0.00298829/step Wall: 4494.31, 0.00298829/step, 2.89598 hours remaining, 204.906250 MB of memory in use. ENERGY: 1511200 748.9888 2091.8046 1963.5442 112.3811 -206159.3447 17821.9110 0.0000 0.0000 34532.0103 -148888.7047 301.5766 -183420.7150 -148796.1692 300.0346 67.4193 97.7468 556972.9936 11.5235 11.4650 PRESSURE: 1511400 119.964 -236.451 -157.095 -236.449 196.204 145.521 -157.095 145.522 -56.9562 GPRESSURE: 1511400 118.295 -390.088 -149.725 -158.808 221.423 125.481 -122.659 117.576 9.57965 PRESSAVG: 1511400 -93.3634 11.5369 -7.03094 11.537 5.63398 -24.1717 -7.03099 -24.1716 77.4889 GPRESSAVG: 1511400 -92.4307 10.2751 -8.3193 11.1355 5.18104 -25.5135 -5.72511 -22.954 76.5166 TIMING: 1511400 CPU: 4494.91, 0.00299167/step Wall: 4494.91, 0.00299167/step, 2.89909 hours remaining, 204.906250 MB of memory in use. ENERGY: 1511400 747.7659 2115.5505 1959.4006 107.9507 -206221.8112 17987.5195 0.0000 0.0000 34276.3259 -149027.2980 299.3437 -183303.6239 -148931.8168 299.9689 86.4041 116.4326 555912.9607 -3.4135 -3.5777 PRESSURE: 1511600 -98.907 -129.206 -45.6473 -129.207 -2.87264 -50.951 -45.6475 -50.9515 57.9697 GPRESSURE: 1511600 -62.1988 -132.696 -35.0951 -103.653 9.74351 -116.197 -33.0097 8.75751 97.0109 PRESSAVG: 1511600 24.7944 -1.57026 -8.52559 -1.57024 33.8282 -30.8208 -8.52562 -30.8208 -48.8979 GPRESSAVG: 1511600 24.4478 1.01165 -8.64497 -2.91727 34.7375 -28.7395 -8.79982 -29.5549 -49.0336 TIMING: 1511600 CPU: 4495.5, 0.00297935/step Wall: 4495.5, 0.00297935/step, 2.88699 hours remaining, 204.906250 MB of memory in use. ENERGY: 1511600 770.0194 2145.1595 1946.5264 133.8023 -205984.9251 17633.3664 0.0000 0.0000 34266.4124 -149089.6386 299.2571 -183356.0510 -148995.3259 299.9494 -14.6033 14.8519 557504.8257 3.2416 3.3839 PRESSURE: 1511800 -19.1969 21.5895 27.4514 21.5888 -41.2779 -147.345 27.4521 -147.346 57.6159 GPRESSURE: 1511800 19.418 1.81314 115.659 -0.0890009 22.2993 -86.2355 -47.9045 -125.285 59.6332 PRESSAVG: 1511800 35.991 19.7638 69.9496 19.7637 -40.4507 -20.6811 69.9496 -20.681 -2.11363 GPRESSAVG: 1511800 34.5013 19.4582 70.2631 19.2765 -39.62 -21.095 68.766 -21.7083 -1.35132 TIMING: 1511800 CPU: 4496.1, 0.0029799/step Wall: 4496.1, 0.0029799/step, 2.88736 hours remaining, 204.906250 MB of memory in use. ENERGY: 1511800 749.8769 2042.2989 1942.8434 117.3514 -206141.3697 17830.7604 0.0000 0.0000 34312.1355 -149146.1032 299.6564 -183458.2387 -149050.2314 299.2377 -0.9530 33.7835 557984.4159 -2.1911 -2.1567 PRESSURE: 1512000 10.7619 26.9349 -36.3793 26.9344 70.3233 -100.738 -36.3781 -100.74 -150.243 GPRESSURE: 1512000 14.9387 -7.6955 32.1096 27.2131 128.481 -122.065 -77.3413 -57.1783 -126.362 PRESSAVG: 1512000 48.8723 2.06348 -42.0552 2.06344 32.4255 -76.1265 -42.0552 -76.1265 -80.0635 GPRESSAVG: 1512000 49.8459 2.16126 -40.1281 1.65715 31.9801 -77.3483 -42.4393 -75.3041 -80.5633 TIMING: 1512000 CPU: 4496.69, 0.00297819/step Wall: 4496.69, 0.00297819/step, 2.88554 hours remaining, 204.906250 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: 1512000 703.9478 2106.4962 1932.9884 103.9529 -206067.3040 17715.2642 0.0000 0.0000 34274.4020 -149230.2524 299.3269 -183504.6544 -149132.9794 299.2080 -23.0527 5.6860 558443.5576 0.4114 0.4209 PRESSURE: 1512200 -12.8419 -92.9631 -30.2362 -92.9645 349.604 110.813 -30.2348 110.814 -192.066 GPRESSURE: 1512200 73.7075 -141.144 -115.771 -146.123 326.076 49.2846 -9.99867 54.5783 -162.223 PRESSAVG: 1512200 23.2929 3.51187 31.4707 3.51185 50.6067 60.5103 31.4708 60.5106 -9.69338 GPRESSAVG: 1512200 23.9168 6.15163 29.5144 2.16678 49.1694 60.2497 32.7863 59.463 -9.24159 TIMING: 1512200 CPU: 4497.29, 0.00296043/step Wall: 4497.29, 0.00296043/step, 2.86816 hours remaining, 204.906250 MB of memory in use. ENERGY: 1512200 731.4084 2111.5884 1936.1099 119.1602 -206251.9489 17903.6532 0.0000 0.0000 34089.6268 -149360.4019 297.7132 -183450.0287 -149265.5237 299.3616 48.2322 79.1869 557956.8583 21.4021 21.2815 LDB: ============= START OF LOAD BALANCING ============== 4500.72 LDB: ============== END OF LOAD BALANCING =============== 4500.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4500.72 LDB: ============= START OF LOAD BALANCING ============== 4501.02 LDB: Largest compute 4847 load 0.024438 is 20.7% of average load 0.118007 LDB: Average compute 0.001716 is 1.5% of average load 0.118007 LDB: TIME 4501.02 LOAD: AVG 0.118007 MAX 0.202195 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 4501.02 LOAD: AVG 0.118007 MAX 0.202195 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.414 MB LDB: TIME 4501.02 LOAD: AVG 0.118007 MAX 0.202195 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4501.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4501.03 PRESSURE: 1512400 -41.1709 -112.188 -140.732 -112.188 -126.302 128.296 -140.733 128.295 121.406 GPRESSURE: 1512400 13.2156 -161.293 -121.763 -14.7512 -98.9929 45.771 -156.254 170.082 133.101 PRESSAVG: 1512400 40.8414 6.9008 34.576 6.9008 -54.6617 -0.972881 34.5761 -0.972903 -10.4895 GPRESSAVG: 1512400 39.9845 3.17098 35.6857 8.10006 -53.11 0.326527 33.3896 0.920139 -11.1829 TIMING: 1512400 CPU: 4497.9, 0.00306495/step Wall: 4497.9, 0.00306495/step, 2.96925 hours remaining, 205.941406 MB of memory in use. ENERGY: 1512400 727.8651 2106.1546 1917.3669 108.0414 -206255.4172 17669.8040 0.0000 0.0000 34342.5175 -149383.6678 299.9217 -183726.1852 -149284.9358 298.2857 -15.3556 15.7746 558138.3468 -8.1033 -8.1028 PRESSURE: 1512600 214.419 160.659 -65.9846 160.658 160.303 51.4469 -65.9855 51.4463 266.306 GPRESSURE: 1512600 285.519 273.268 -74.7918 105.613 188.001 48.7045 3.60912 108.505 276.864 PRESSAVG: 1512600 -20.0153 38.4734 -17.1264 38.4733 18.8978 24.7898 -17.1265 24.7897 17.2584 GPRESSAVG: 1512600 -19.8812 39.9453 -15.9255 38.4527 18.3245 26.5072 -16.3257 22.4087 18.0684 TIMING: 1512600 CPU: 4498.5, 0.00300022/step Wall: 4498.5, 0.00300022/step, 2.90638 hours remaining, 205.941406 MB of memory in use. ENERGY: 1512600 700.7877 2099.5645 1969.9863 117.5195 -206476.9988 18131.9459 0.0000 0.0000 34116.0006 -149341.1943 297.9435 -183457.1949 -149243.6769 298.7243 213.6761 250.1279 556898.3578 5.3803 5.5039 PRESSURE: 1512800 81.4654 134.365 -181.266 134.366 135.513 45.19 -181.266 45.1907 185.132 GPRESSURE: 1512800 121.619 121.294 -145.11 125.404 182.661 22.131 -114.214 67.6818 188.366 PRESSAVG: 1512800 13.7466 -10.3373 -38.9451 -10.3373 5.26348 36.7303 -38.9453 36.7304 -6.73308 GPRESSAVG: 1512800 14.7039 -10.6515 -39.4796 -8.27742 5.10566 34.4255 -39.2662 37.9087 -7.10121 TIMING: 1512800 CPU: 4499.1, 0.00300898/step Wall: 4499.1, 0.00300898/step, 2.9147 hours remaining, 205.941406 MB of memory in use. ENERGY: 1512800 721.8304 2004.4463 1966.6916 116.4951 -206324.5981 17846.5681 0.0000 0.0000 34447.5497 -149221.0169 300.8390 -183668.5666 -149127.1331 298.6522 134.0369 164.2151 556728.2189 4.0923 4.2361 PRESSURE: 1513000 -25.742 64.6759 50.3901 64.6764 122.783 125.29 50.3905 125.291 -92.8683 GPRESSURE: 1513000 35.141 -2.51165 133.613 170.993 110.635 82.6538 -77.3172 154.75 -44.066 PRESSAVG: 1513000 -21.9271 27.8825 24.8707 27.8826 -4.41686 84.3208 24.8706 84.3209 13.8687 GPRESSAVG: 1513000 -22.4188 27.9725 26.414 26.5549 -3.48244 83.884 24.3423 84.9141 13.3721 TIMING: 1513000 CPU: 4499.7, 0.00297789/step Wall: 4499.7, 0.00297789/step, 2.88442 hours remaining, 205.941406 MB of memory in use. ENERGY: 1513000 745.1009 2126.7421 1962.4923 111.7714 -205912.3780 17678.3110 0.0000 0.0000 34282.4722 -149005.4881 299.3974 -183287.9603 -148911.0960 298.9954 1.3908 33.9034 558399.1881 -4.1584 -4.1764 PRESSURE: 1513200 -237.608 -112.152 -59.0058 -112.153 -105.04 17.6852 -59.0062 17.6862 238.911 GPRESSURE: 1513200 -171.353 -94.204 -88.1259 -145.135 -48.111 35.4404 -77.5349 4.8459 212.092 PRESSAVG: 1513200 -45.4471 -56.8705 0.822785 -56.8704 -13.1848 51.9511 0.822777 51.9511 53.3075 GPRESSAVG: 1513200 -44.8003 -57.1001 -0.301 -56.3957 -14.4839 53.4374 1.9593 51.0981 53.7522 TIMING: 1513200 CPU: 4500.29, 0.00297352/step Wall: 4500.29, 0.00297352/step, 2.88002 hours remaining, 205.941406 MB of memory in use. ENERGY: 1513200 747.2520 2080.7343 1982.0328 117.0477 -206306.3332 17836.3409 0.0000 0.0000 34509.0128 -149033.9127 301.3758 -183542.9255 -148933.4514 299.8516 -34.5791 -2.4574 557331.9094 -1.7748 -1.8440 PRESSURE: 1513400 34.5288 22.4992 8.85834 22.4992 -138.958 -25.0502 8.85884 -25.05 2.43915 GPRESSURE: 1513400 38.6749 -98.5943 65.2354 124.993 -105.096 -15.4823 46.9335 -82.209 47.9232 PRESSAVG: 1513400 -94.6793 4.14626 -9.23493 4.14618 35.945 70.595 -9.23491 70.5951 68.3293 GPRESSAVG: 1513400 -95.501 5.65581 -10.4696 1.2902 37.3866 70.0267 -8.37872 68.805 67.8644 TIMING: 1513400 CPU: 4500.89, 0.00297531/step Wall: 4500.89, 0.00297531/step, 2.88159 hours remaining, 205.941406 MB of memory in use. ENERGY: 1513400 773.8292 2070.6996 1968.7068 120.0053 -206546.6394 17998.8140 0.0000 0.0000 34391.7892 -149222.7954 300.3520 -183614.5845 -149119.6104 299.7849 -33.9966 -6.1661 557524.5745 3.1983 3.2500 PRESSURE: 1513600 -360.467 -62.0915 -63.3975 -62.0913 -99.2456 -59.7672 -63.3981 -59.7686 -236.885 GPRESSURE: 1513600 -276.492 -124.325 -9.43429 -38.2509 -93.585 -107.989 -23.2461 -82.5994 -234.699 PRESSAVG: 1513600 -65.7739 -14.4637 -33.2687 -14.4638 -19.293 4.69276 -33.2688 4.6928 98.5388 GPRESSAVG: 1513600 -65.9216 -14.0643 -33.1405 -13.6271 -19.6742 4.01483 -35.4824 6.90096 98.8341 TIMING: 1513600 CPU: 4501.48, 0.00298669/step Wall: 4501.48, 0.00298669/step, 2.89244 hours remaining, 205.941406 MB of memory in use. ENERGY: 1513600 746.7628 2051.3397 1962.1557 128.3481 -205707.7995 17497.9845 0.0000 0.0000 34173.8887 -149147.3201 298.4491 -183321.2087 -149048.1443 299.5276 -232.1992 -201.5921 558295.6199 4.4906 4.4128 PRESSURE: 1513800 -210.65 -36.4779 163.078 -36.4776 252.969 27.145 163.078 27.146 166.368 GPRESSURE: 1513800 -134.17 -50.2751 183.976 -21.9102 241.593 46.8753 121.348 11.1196 184.575 PRESSAVG: 1513800 -82.2342 -22.6277 7.81559 -22.6277 55.8941 29.5314 7.81551 29.5312 36.5091 GPRESSAVG: 1513800 -81.9142 -21.1935 9.83695 -24.227 55.4646 30.5126 8.56915 28.8231 36.3967 TIMING: 1513800 CPU: 4502.08, 0.00299629/step Wall: 4502.08, 0.00299629/step, 2.90158 hours remaining, 205.941406 MB of memory in use. ENERGY: 1513800 742.6692 2069.3557 1951.3388 111.6637 -206429.2066 17946.8882 0.0000 0.0000 34552.5339 -149054.7572 301.7559 -183607.2911 -148950.4975 298.9561 69.5624 97.3324 558054.5392 3.3897 3.3157 PRESSURE: 1514000 -104.763 170.609 135.467 170.608 -218.798 -10.6958 135.467 -10.6953 61.8193 GPRESSURE: 1514000 -119.862 201.809 62.9457 201.713 -160.965 -42.2525 250.884 1.03229 113.08 PRESSAVG: 1514000 -16.9213 47.5653 -0.67437 47.5654 -55.8658 25.4881 -0.674387 25.4881 78.9743 GPRESSAVG: 1514000 -17.6902 47.2777 -1.04028 49.0584 -56.0554 25.2954 -0.314369 26.0928 79.9318 TIMING: 1514000 CPU: 4502.68, 0.00299497/step Wall: 4502.68, 0.00299497/step, 2.90013 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: 1514000 750.9375 2042.2312 1931.2349 105.1213 -205859.5404 17653.8262 0.0000 0.0000 34387.2108 -148988.9785 300.3121 -183376.1893 -148882.6010 299.4735 -87.2474 -55.9156 558945.2179 2.0624 2.0620 PRESSURE: 1514200 213.549 -15.9571 -84.0138 -15.9587 99.6273 -67.0055 -84.0129 -67.0056 35.9166 GPRESSURE: 1514200 258.233 2.99451 -3.86395 -89.7969 75.7293 8.93762 -77.1397 -161.877 108.093 PRESSAVG: 1514200 3.81111 55.8449 -28.0673 55.8449 -2.97046 19.9047 -28.0673 19.9047 49.887 GPRESSAVG: 1514200 3.67987 55.377 -29.5922 54.0947 -1.99545 19.2863 -27.8713 20.995 48.9309 TIMING: 1514200 CPU: 4503.28, 0.00297008/step Wall: 4503.28, 0.00297008/step, 2.87586 hours remaining, 205.941406 MB of memory in use. ENERGY: 1514200 758.6669 2050.2809 1947.8275 113.6413 -206095.9110 17961.9647 0.0000 0.0000 34259.6562 -149003.8735 299.1981 -183263.5297 -148914.1204 300.0112 116.3642 147.3517 557443.6230 16.9092 16.8718 PRESSURE: 1514400 169.662 -204.197 -55.5915 -204.197 170.739 56.7039 -55.5929 56.7029 350.47 GPRESSURE: 1514400 215.765 -216.18 11.6118 -197.712 185.754 68.4668 -76.0541 87.8691 401.636 PRESSAVG: 1514400 28.3477 8.95899 -35.8071 8.95896 -67.0323 24.1727 -35.807 24.1727 60.2024 GPRESSAVG: 1514400 29.1233 7.88677 -34.552 10.8275 -67.953 24.7487 -35.8368 24.0895 59.6434 TIMING: 1514400 CPU: 4503.88, 0.00300183/step Wall: 4503.88, 0.00300183/step, 2.90644 hours remaining, 205.941406 MB of memory in use. ENERGY: 1514400 735.7579 2124.1833 1951.9819 111.6030 -206478.1885 18167.7954 0.0000 0.0000 34439.4387 -148947.4283 300.7682 -183386.8670 -148848.8346 300.0251 230.2904 267.7181 557214.3463 7.1726 6.9379 PRESSURE: 1514600 -97.079 79.6761 -28.8024 79.6754 -71.892 -287.367 -28.8013 -287.366 -87.4426 GPRESSURE: 1514600 -33.4504 147.509 56.2262 86.6587 -44.9479 -255.55 -112.683 -235.242 -77.0302 PRESSAVG: 1514600 -33.232 -37.2025 -24.5985 -37.2024 -25.0487 -76.458 -24.5986 -76.4579 52.3444 GPRESSAVG: 1514600 -33.7437 -38.5379 -24.7639 -36.826 -23.8402 -76.6695 -25.6979 -78.0214 51.2701 TIMING: 1514600 CPU: 4504.47, 0.00297339/step Wall: 4504.47, 0.00297339/step, 2.87873 hours remaining, 205.941406 MB of memory in use. ENERGY: 1514600 711.1403 2119.6901 1977.1121 121.0110 -205773.3168 17482.7326 0.0000 0.0000 34456.3320 -148905.2987 300.9157 -183361.6307 -148810.7208 299.8048 -85.4712 -51.8095 558000.2199 -1.9788 -2.1046 PRESSURE: 1514800 -199.674 97.9953 -24.0324 97.9946 -280.171 -130.307 -24.0329 -130.306 -174.621 GPRESSURE: 1514800 -145.346 112.403 4.94902 50.2472 -202.357 -151.165 -38.5737 -54.9503 -202.792 PRESSAVG: 1514800 -25.4209 -36.0799 -13.3272 -36.0799 -60.7656 -73.8067 -13.3272 -73.8067 80.9926 GPRESSAVG: 1514800 -25.6352 -34.8441 -13.0044 -37.1267 -60.2454 -73.9555 -9.75855 -74.5227 81.0731 TIMING: 1514800 CPU: 4505.07, 0.00300516/step Wall: 4505.07, 0.00300516/step, 2.90933 hours remaining, 205.941406 MB of memory in use. ENERGY: 1514800 697.6877 2115.0752 1941.9251 115.6490 -205315.0275 17285.7861 0.0000 0.0000 34231.9803 -148926.9241 298.9564 -183158.9044 -148827.0144 300.2615 -218.1553 -183.4984 559017.0686 -1.7313 -1.6025 PRESSURE: 1515000 37.7963 -7.88607 24.1624 -7.88523 -49.3003 -78.5221 24.1619 -78.5227 -21.869 GPRESSURE: 1515000 126.354 17.9061 13.1826 -21.4111 -50.5135 -38.7554 36.8627 -122.093 -5.12903 PRESSAVG: 1515000 -24.6411 -4.20211 5.27744 -4.20197 -15.4676 -83.8093 5.27751 -83.8092 54.8002 GPRESSAVG: 1515000 -24.2228 -2.30081 6.16243 -3.29231 -16.5163 -83.0843 2.73204 -83.3494 55.3923 TIMING: 1515000 CPU: 4505.67, 0.00298554/step Wall: 4505.67, 0.00298554/step, 2.89017 hours remaining, 205.941406 MB of memory in use. ENERGY: 1515000 711.4779 2088.1060 1957.9182 116.2944 -206073.9298 17800.1002 0.0000 0.0000 34354.5042 -149045.5289 300.0264 -183400.0331 -148953.8324 299.8215 -11.1243 23.5706 557460.1554 4.8971 4.8844 PRESSURE: 1515200 -303.706 -59.1816 7.50022 -59.1801 66.129 -82.1486 7.50037 -82.1479 16.0526 GPRESSURE: 1515200 -287.568 -58.0585 -61.0186 -148.972 84.9167 -70.0777 -0.680673 -26.8753 76.2147 PRESSAVG: 1515200 -20.6526 -6.66261 11.3837 -6.66262 -10.8188 -46.1802 11.3837 -46.1802 13.3486 GPRESSAVG: 1515200 -20.8683 -6.88908 8.89251 -6.8789 -10.7707 -44.7335 14.2066 -47.2478 13.254 TIMING: 1515200 CPU: 4506.27, 0.00298994/step Wall: 4506.27, 0.00298994/step, 2.89426 hours remaining, 205.941406 MB of memory in use. ENERGY: 1515200 753.5044 2082.1374 1948.9258 105.5663 -205638.8923 17521.4674 0.0000 0.0000 34350.3928 -148876.8982 299.9905 -183227.2910 -148787.5719 299.5708 -73.8416 -42.1457 557093.6076 -6.0409 -6.1283 PRESSURE: 1515400 185.328 -81.4892 -16.1648 -81.4894 31.7621 68.8124 -16.1657 68.8118 -199.243 GPRESSURE: 1515400 176.765 -82.5703 57.6141 -128.492 55.0515 46.459 -38.4871 80.569 -116.381 PRESSAVG: 1515400 -9.69538 -5.4123 27.8902 -5.4123 54.2397 -33.2431 27.8902 -33.2431 4.65194 GPRESSAVG: 1515400 -8.75438 -6.26714 29.0477 -5.72675 54.0209 -34.8999 25.8352 -29.0929 4.53167 TIMING: 1515400 CPU: 4506.86, 0.00297251/step Wall: 4506.86, 0.00297251/step, 2.87723 hours remaining, 205.941406 MB of memory in use. ENERGY: 1515400 764.8863 2040.4154 1979.9027 103.7887 -206006.4229 17795.7514 0.0000 0.0000 34495.7854 -148825.8931 301.2603 -183321.6785 -148725.4251 300.4983 5.9489 38.4784 557103.9000 16.3988 16.5994 PRESSURE: 1515600 -180.83 -66.962 -107.325 -66.9628 -57.6033 96.8186 -107.324 96.8193 25.124 GPRESSURE: 1515600 -172.832 -131.627 -51.8151 -34.3668 -11.4681 70.565 -198.278 143.489 58.3902 PRESSAVG: 1515600 -3.67924 11.3399 32.7284 11.34 -33.1604 -28.1133 32.7284 -28.1132 22.7962 GPRESSAVG: 1515600 -4.07245 9.78365 30.0997 13.2897 -33.0339 -29.0192 33.056 -30.8338 22.9058 TIMING: 1515600 CPU: 4507.46, 0.00299043/step Wall: 4507.46, 0.00299043/step, 2.8944 hours remaining, 205.941406 MB of memory in use. ENERGY: 1515600 737.6448 2098.5114 1941.3903 119.0347 -205921.4014 17734.0238 0.0000 0.0000 34324.8092 -148965.9871 299.7671 -183290.7963 -148865.4283 299.7502 -71.1031 -41.9699 557992.9779 -4.6812 -4.7335 PRESSURE: 1515800 158.119 53.7652 -67.1961 53.7664 98.1116 -58.3267 -67.1959 -58.3271 3.00952 GPRESSURE: 1515800 122.315 15.1121 -61.0554 99.45 202.786 20.6227 -52.4899 -146.263 24.7677 PRESSAVG: 1515800 27.3492 65.8675 -3.40044 65.8675 -71.0245 13.6384 -3.4003 13.6384 -1.34786 GPRESSAVG: 1515800 26.7732 66.1946 -0.108053 64.7512 -70.7293 13.4785 -4.74694 15.1469 -0.890152 TIMING: 1515800 CPU: 4508.06, 0.00301328/step Wall: 4508.06, 0.00301328/step, 2.91636 hours remaining, 205.941406 MB of memory in use. ENERGY: 1515800 763.6517 2156.2240 1942.2261 123.4463 -206271.0924 17935.2562 0.0000 0.0000 34486.3142 -148863.9740 301.1776 -183350.2883 -148763.3245 300.0432 86.4134 116.6229 557600.3285 -15.0077 -14.9488 PRESSURE: 1516000 -177.268 -65.5997 -80.5694 -65.5987 -212.527 91.5853 -80.5689 91.5865 -28.0925 GPRESSURE: 1516000 -138.428 -54.2637 -93.4268 -113.453 -174.317 159.454 -69.9129 -9.47507 -11.5711 PRESSAVG: 1516000 25.7051 -3.96989 -11.8781 -3.96985 11.0713 28.5272 -11.8781 28.5273 -20.6685 GPRESSAVG: 1516000 26.9619 -2.88509 -12.7504 -4.11073 11.2642 29.252 -11.1381 27.1319 -21.9011 TIMING: 1516000 CPU: 4508.66, 0.00299053/step Wall: 4508.66, 0.00299053/step, 2.89417 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: 1516000 744.7002 2133.9314 1938.7183 101.4457 -205703.3557 17625.7990 0.0000 0.0000 34353.6276 -148805.1335 300.0188 -183158.7612 -148705.3621 300.9744 -139.2960 -108.1054 559699.9717 5.3693 5.4417 PRESSURE: 1516200 120.893 76.9293 -2.51913 76.9289 147.346 -141.474 -2.51862 -141.473 219.119 GPRESSURE: 1516200 170.827 -7.96458 26.8905 80.2938 207.247 -81.048 -35.3205 -199.255 215.677 PRESSAVG: 1516200 -43.7173 -3.01033 -4.33812 -3.01027 58.1475 -23.0231 -4.33811 -23.0231 -13.6981 GPRESSAVG: 1516200 -44.29 -4.71913 -3.93252 -4.12919 58.2713 -23.6469 -6.48024 -22.1905 -13.2658 TIMING: 1516200 CPU: 4509.26, 0.0030067/step Wall: 4509.26, 0.0030067/step, 2.90965 hours remaining, 205.941406 MB of memory in use. ENERGY: 1516200 742.0320 2090.5593 1945.0943 97.5168 -205879.6464 18006.7072 0.0000 0.0000 34411.9421 -148585.7947 300.5280 -182997.7368 -148490.2796 300.5878 162.4528 197.9168 557993.1774 0.2440 0.2385 LDB: ============= START OF LOAD BALANCING ============== 4512.69 LDB: ============== END OF LOAD BALANCING =============== 4512.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4512.69 LDB: ============= START OF LOAD BALANCING ============== 4512.99 LDB: Largest compute 4847 load 0.027170 is 23.0% of average load 0.118061 LDB: Average compute 0.001728 is 1.5% of average load 0.118061 LDB: TIME 4512.99 LOAD: AVG 0.118061 MAX 0.201362 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.973 MB LDB: TIME 4512.99 LOAD: AVG 0.118061 MAX 0.201362 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.973 MB LDB: TIME 4512.99 LOAD: AVG 0.118061 MAX 0.201362 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4513 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4513 PRESSURE: 1516400 -185.765 93.6204 138.613 93.62 -100.589 42.5865 138.613 42.5869 -118.044 GPRESSURE: 1516400 -87.3304 102.939 164.842 86.1754 -88.186 4.39124 145.968 75.6181 -124.673 PRESSAVG: 1516400 -38.6937 -7.31094 -35.5413 -7.3109 32.8888 -18.7561 -35.5413 -18.7562 -9.08076 GPRESSAVG: 1516400 -38.9412 -4.59637 -36.8899 -8.45678 32.9287 -19.431 -32.5462 -17.3711 -8.70326 TIMING: 1516400 CPU: 4509.87, 0.0030396/step Wall: 4509.87, 0.0030396/step, 2.94132 hours remaining, 205.429688 MB of memory in use. ENERGY: 1516400 753.1533 2068.2023 1966.2225 128.2280 -205399.7870 17592.6582 0.0000 0.0000 34407.2088 -148484.1139 300.4867 -182891.3227 -148386.1020 301.0253 -134.7995 -100.0632 559273.5785 -4.9619 -4.9052 PRESSURE: 1516600 -55.5879 81.9824 52.0591 81.9823 78.9586 54.7519 52.0592 54.7501 60.945 GPRESSURE: 1516600 -46.0822 114.865 16.1756 85.045 136.008 48.9069 22.8468 -54.6292 89.7538 PRESSAVG: 1516600 15.2817 -7.12969 23.458 -7.12967 -9.47435 34.151 23.4581 34.151 5.87866 GPRESSAVG: 1516600 16.7873 -9.04185 21.1993 -4.3181 -10.1189 33.6299 22.6578 29.3507 5.59163 TIMING: 1516600 CPU: 4510.47, 0.00300256/step Wall: 4510.47, 0.00300256/step, 2.90531 hours remaining, 205.429688 MB of memory in use. ENERGY: 1516600 763.2653 2078.1319 1958.0196 99.2148 -206020.1642 17919.9254 0.0000 0.0000 34598.3415 -148603.2657 302.1559 -183201.6072 -148506.0357 300.8475 28.1052 59.8933 557594.2349 3.8953 4.0867 PRESSURE: 1516800 -107.493 -53.8742 -116.579 -53.8731 -27.1883 216.2 -116.58 216.198 -48.0362 GPRESSURE: 1516800 -44.7544 -42.3812 -113.178 -84.9548 -31.4879 213.699 -72.2237 239.526 -21.1583 PRESSAVG: 1516800 -4.96941 10.3285 53.1009 10.3285 14.8435 2.07733 53.1008 2.07733 -0.138825 GPRESSAVG: 1516800 -6.95416 11.695 57.3251 9.64192 16.6426 4.14141 49.9378 4.29211 -0.547041 TIMING: 1516800 CPU: 4511.06, 0.00295571/step Wall: 4511.06, 0.00295571/step, 2.85981 hours remaining, 205.429688 MB of memory in use. ENERGY: 1516800 715.1213 2097.3716 1956.6862 105.6622 -206153.7625 17745.5827 0.0000 0.0000 34578.1973 -148955.1413 301.9800 -183533.3386 -148852.6905 300.9279 -60.9059 -32.4669 558508.2328 3.2451 3.0471 PRESSURE: 1517000 275.655 47.127 121.31 47.1284 -24.7418 -49.3941 121.31 -49.3933 -16.4581 GPRESSURE: 1517000 267.014 124.957 73.6911 95.3592 50.9952 31.8622 89.8298 -62.547 10.5288 PRESSAVG: 1517000 18.094 -35.6747 14.015 -35.6747 -14.4262 27.0535 14.015 27.0536 -2.15126 GPRESSAVG: 1517000 18.6306 -35.981 12.4445 -34.7168 -16.3246 26.9128 14.436 26.211 -1.29848 TIMING: 1517000 CPU: 4511.66, 0.00299679/step Wall: 4511.66, 0.00299679/step, 2.89939 hours remaining, 205.429688 MB of memory in use. ENERGY: 1517000 700.0916 2069.3536 1955.1592 105.1273 -206192.6978 17880.3409 0.0000 0.0000 34303.1401 -149179.4851 299.5779 -183482.6252 -149081.3536 300.4942 78.1516 109.5128 557152.3992 0.5055 0.3358 PRESSURE: 1517200 391.625 0.350588 23.6574 0.350056 -154.357 -93.6758 23.6571 -93.6765 205.018 GPRESSURE: 1517200 411.683 5.49982 47.1811 52.9718 -67.9162 -138.805 6.78938 -154.009 198.097 PRESSAVG: 1517200 49.625 -11.9592 -35.2936 -11.9593 -16.3105 -32.5312 -35.2937 -32.5312 -17.6644 GPRESSAVG: 1517200 49.0511 -12.4751 -35.215 -12.2835 -15.8425 -30.9343 -35.2155 -32.3538 -17.5356 TIMING: 1517200 CPU: 4512.26, 0.00297409/step Wall: 4512.26, 0.00297409/step, 2.87726 hours remaining, 205.429688 MB of memory in use. ENERGY: 1517200 735.2602 2099.1822 1964.6724 116.7632 -206025.9377 17906.8427 0.0000 0.0000 34113.1799 -149090.0372 297.9189 -183203.2171 -148995.9991 299.0250 147.4288 180.6212 558089.5178 5.2167 5.2243 PRESSURE: 1517400 -39.0942 -46.7155 -48.5964 -46.7156 -100.857 -83.7464 -48.5951 -83.7447 -216.772 GPRESSURE: 1517400 -52.1634 -96.5937 -81.5736 -67.997 -51.0868 -106.309 -10.3409 -33.3416 -158.452 PRESSAVG: 1517400 17.7202 24.1926 22.5715 24.1926 37.9995 -22.2689 22.5715 -22.2688 -55.5484 GPRESSAVG: 1517400 18.2303 23.8459 22.1124 25.9989 37.5073 -24.2571 21.241 -21.8565 -55.2646 TIMING: 1517400 CPU: 4512.85, 0.00299054/step Wall: 4512.85, 0.00299054/step, 2.89301 hours remaining, 205.429688 MB of memory in use. ENERGY: 1517400 775.1546 2089.3908 1946.1919 113.4890 -205927.2629 17670.1480 0.0000 0.0000 34208.7041 -149124.1845 298.7531 -183332.8886 -149025.3795 299.5158 -118.9080 -87.2342 558191.7476 0.0571 0.1576 PRESSURE: 1517600 59.8518 -108.143 -73.1228 -108.144 -2.59312 51.0454 -73.1239 51.0475 127.978 GPRESSURE: 1517600 130.607 -46.1847 -41.0729 -149.166 39.2387 53.7897 -138.719 39.0526 112.05 PRESSAVG: 1517600 -18.0196 -11.4702 -5.96787 -11.4702 47.7335 -6.18744 -5.96786 -6.18745 -27.9185 GPRESSAVG: 1517600 -17.2459 -11.0077 -5.22875 -13.2358 48.3327 -3.70023 -7.67942 -7.54885 -28.8341 TIMING: 1517600 CPU: 4513.45, 0.00297342/step Wall: 4513.45, 0.00297342/step, 2.87629 hours remaining, 205.429688 MB of memory in use. ENERGY: 1517600 757.9923 2075.3266 1931.1040 107.0406 -206366.3581 17965.7542 0.0000 0.0000 34388.4587 -149140.6815 300.3230 -183529.1402 -149043.4026 299.4397 61.7454 93.9652 558885.3029 0.5985 0.7509 PRESSURE: 1517800 -168.485 71.7145 111.723 71.7144 56.0633 174.83 111.723 174.828 -78.2502 GPRESSURE: 1517800 -143.011 29.6453 96.7156 168.521 125.532 156.402 168.664 205.506 -66.8364 PRESSAVG: 1517800 23.4449 -33.5322 -44.9304 -33.5321 31.6466 2.57755 -44.9303 2.57746 -45.9968 GPRESSAVG: 1517800 22.3642 -33.8859 -45.1722 -32.7697 32.7641 1.96527 -43.7659 4.58919 -45.5373 TIMING: 1517800 CPU: 4514.04, 0.00295661/step Wall: 4514.04, 0.00295661/step, 2.85986 hours remaining, 205.429688 MB of memory in use. ENERGY: 1517800 727.0959 2069.8860 1939.5916 114.5666 -206063.1412 17802.7432 0.0000 0.0000 34287.9491 -149121.3088 299.4452 -183409.2579 -149027.6338 299.5899 -63.5572 -28.1050 558934.7741 3.0315 3.1970 PRESSURE: 1518000 141.386 75.1175 8.78095 75.1171 -211.252 -80.511 8.78011 -80.5106 24.3293 GPRESSURE: 1518000 167.48 0.396513 53.5806 90.557 -187.768 -65.6539 -80.6297 -57.2796 74.0614 PRESSAVG: 1518000 76.9016 14.6797 7.2199 14.6798 -10.6221 -6.44237 7.21992 -6.4423 -22.7958 GPRESSAVG: 1518000 77.5912 15.3229 7.58678 12.2069 -10.8561 -7.06254 9.46013 -7.64173 -22.82 TIMING: 1518000 CPU: 4514.64, 0.00297925/step Wall: 4514.64, 0.00297925/step, 2.8816 hours remaining, 205.429688 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: 1518000 743.5331 2026.5477 1959.9277 95.3767 -206138.9697 17842.9518 0.0000 0.0000 34494.4037 -148976.2289 301.2482 -183470.6327 -148874.3367 299.6751 -15.1788 17.9243 557264.5142 14.4946 14.6383 PRESSURE: 1518200 -9.12031 73.1981 76.8576 73.1978 -161.267 -6.17768 76.8584 -6.17827 -97.8727 GPRESSURE: 1518200 36.6982 103.848 10.407 153.093 -87.9449 -10.4925 123.864 -68.3437 -124.806 PRESSAVG: 1518200 18.3375 -30.3355 49.4302 -30.3356 5.96372 14.6756 49.4302 14.6756 -28.3322 GPRESSAVG: 1518200 18.1303 -29.6559 48.4273 -31.425 6.05275 14.036 47.5322 15.9896 -28.27 TIMING: 1518200 CPU: 4515.23, 0.00298047/step Wall: 4515.23, 0.00298047/step, 2.88261 hours remaining, 205.429688 MB of memory in use. ENERGY: 1518200 756.7366 2064.7045 1959.0679 101.5221 -206060.0319 17775.7671 0.0000 0.0000 34532.6221 -148869.6116 301.5820 -183402.2338 -148773.0386 299.8202 -89.4200 -58.6841 558620.5551 -1.3437 -1.3623 PRESSURE: 1518400 -196.632 -17.7994 10.0952 -17.8004 -53.8764 -2.5814 10.0945 -2.58106 -47.815 GPRESSURE: 1518400 -200.518 -119.354 57.6757 40.8447 -50.6455 -14.1822 -37.1912 33.8608 43.4391 PRESSAVG: 1518400 60.8539 1.42397 -54.2333 1.42404 45.2949 40.2781 -54.2333 40.278 -62.8056 GPRESSAVG: 1518400 61.4762 -0.586783 -54.255 3.41341 44.4581 40.317 -54.3352 39.7801 -62.4714 TIMING: 1518400 CPU: 4515.82, 0.00295481/step Wall: 4515.82, 0.00295481/step, 2.85763 hours remaining, 205.429688 MB of memory in use. ENERGY: 1518400 750.6123 2050.5953 1934.1029 105.8083 -206113.7745 17766.9285 0.0000 0.0000 34464.0400 -149041.6872 300.9830 -183505.7272 -148936.2556 300.2907 -99.4413 -69.2414 557334.4678 14.4477 14.4876 PRESSURE: 1518600 -204.333 24.0031 -114.878 24.0021 -152.271 54.0321 -114.878 54.0321 -21.8929 GPRESSURE: 1518600 -189.827 48.1891 -124.271 -9.10612 -69.6764 83.2919 -122.517 69.2522 -26.9332 PRESSAVG: 1518600 13.4731 32.6952 -4.29354 32.6952 14.5799 -35.0258 -4.29365 -35.0257 -31.7403 GPRESSAVG: 1518600 12.9316 34.1598 -3.18416 35.5149 15.7491 -34.8942 -2.34038 -36.7483 -31.5714 TIMING: 1518600 CPU: 4516.42, 0.00299443/step Wall: 4516.42, 0.00299443/step, 2.89578 hours remaining, 205.429688 MB of memory in use. ENERGY: 1518600 764.1893 2040.2185 1929.3078 116.1681 -205901.2303 17753.4801 0.0000 0.0000 34233.7495 -149064.1169 298.9718 -183297.8664 -148965.5619 300.0506 -126.1656 -95.4789 557980.5376 -1.2291 -0.9636 PRESSURE: 1518800 -44.8089 150.696 17.6465 150.695 6.96712 -108.011 17.6465 -108.012 202.366 GPRESSURE: 1518800 56.1674 176.597 118.888 124.062 19.7711 -74.3095 -18.4766 -121.869 187.919 PRESSAVG: 1518800 11.2786 -39.9791 -3.04085 -39.9792 -27.3328 2.51462 -3.04098 2.51464 68.365 GPRESSAVG: 1518800 12.654 -39.4572 -4.66054 -41.5595 -28.4166 1.02024 -3.24141 4.14473 68.1337 TIMING: 1518800 CPU: 4517.02, 0.00299715/step Wall: 4517.02, 0.00299715/step, 2.89825 hours remaining, 205.429688 MB of memory in use. ENERGY: 1518800 738.6005 2069.1234 1939.1923 117.4532 -206100.0466 17922.8891 0.0000 0.0000 34266.2481 -149046.5400 299.2557 -183312.7881 -148948.8897 300.2259 54.8414 87.9527 558012.1502 17.4369 17.4571 PRESSURE: 1519000 116.907 -108.627 -22.9367 -108.627 -113.162 -94.9989 -22.9366 -94.9981 -255.525 GPRESSURE: 1519000 115.882 -41.6491 -72.2818 -140.394 -70.8074 -87.4947 -55.0678 -55.0511 -186.688 PRESSAVG: 1519000 50.339 -7.66892 -17.77 -7.66893 -0.419462 -41.8557 -17.77 -41.8557 -17.9289 GPRESSAVG: 1519000 49.6066 -8.92599 -15.0778 -8.62594 -0.309517 -41.5896 -20.0579 -40.376 -17.4245 TIMING: 1519000 CPU: 4517.62, 0.00298573/step Wall: 4517.62, 0.00298573/step, 2.88704 hours remaining, 205.429688 MB of memory in use. ENERGY: 1519000 738.9029 2075.7746 1939.9612 96.5281 -205650.5495 17505.6933 0.0000 0.0000 34385.2798 -148908.4096 300.2952 -183293.6893 -148810.0178 300.4868 -83.9266 -47.2045 557906.1585 10.6635 10.6242 PRESSURE: 1519200 -86.3467 -143.602 -104.553 -143.603 54.1254 18.1771 -104.554 18.1773 32.027 GPRESSURE: 1519200 -80.1418 -136.514 -51.6031 -106.211 94.5679 -65.877 -162.843 47.4932 74.1784 PRESSAVG: 1519200 -31.6126 -28.9036 -1.53421 -28.9036 18.4883 27.4524 -1.53421 27.4525 -5.09458 GPRESSAVG: 1519200 -31.0429 -28.2638 -3.59676 -27.2891 18.6525 29.2184 -1.03203 26.1704 -5.50195 TIMING: 1519200 CPU: 4518.22, 0.00300163/step Wall: 4518.22, 0.00300163/step, 2.90224 hours remaining, 205.429688 MB of memory in use. ENERGY: 1519200 740.7563 2082.4475 1960.4413 125.5111 -205780.5570 17699.2438 0.0000 0.0000 34253.8919 -148918.2649 299.1478 -183172.1568 -148823.3601 300.3001 -0.0647 29.5348 559420.2976 -6.0729 -5.9641 PRESSURE: 1519400 -213.352 30.3853 161.91 30.3849 15.8102 117.678 161.911 117.676 -30.4333 GPRESSURE: 1519400 -193.413 -44.3944 158.173 47.4177 86.7252 92.3438 176.192 167.369 -22.1443 PRESSAVG: 1519400 -21.8992 -14.7205 27.5205 -14.7205 27.8749 20.875 27.5204 20.8749 27.0517 GPRESSAVG: 1519400 -22.226 -14.7322 27.6188 -15.8205 28.0371 19.495 28.6302 21.2724 27.8066 TIMING: 1519400 CPU: 4518.82, 0.00299369/step Wall: 4518.82, 0.00299369/step, 2.8944 hours remaining, 205.429688 MB of memory in use. ENERGY: 1519400 767.1407 2049.4346 1970.7047 112.4018 -205648.9211 17720.0676 0.0000 0.0000 34281.0643 -148748.1075 299.3851 -183029.1718 -148649.6148 299.9614 -75.9915 -42.9440 559103.2394 11.0091 11.2059 PRESSURE: 1519600 -174.358 7.32931 62.8482 7.33044 103.646 231.248 62.847 231.247 -140.589 GPRESSURE: 1519600 -141.558 9.37742 101.078 14.6113 144.393 185.486 52.6331 228.828 -119.197 PRESSAVG: 1519600 40.1353 -45.3673 18.2271 -45.3674 -32.5232 43.9548 18.2271 43.9546 1.76707 GPRESSAVG: 1519600 41.2588 -45.1873 19.2749 -44.1852 -32.2148 43.263 18.7665 45.2817 0.292697 TIMING: 1519600 CPU: 4519.41, 0.00297482/step Wall: 4519.41, 0.00297482/step, 2.87599 hours remaining, 205.429688 MB of memory in use. ENERGY: 1519600 728.4717 2098.1124 1935.9508 114.6406 -205598.7657 17725.6082 0.0000 0.0000 34199.6310 -148796.3511 298.6739 -182995.9821 -148697.8784 299.8400 -70.4338 -38.7873 559385.8144 3.1264 3.1122 PRESSURE: 1519800 -311.751 -216.057 47.5642 -216.058 311.714 -159.326 47.5648 -159.328 128.643 GPRESSURE: 1519800 -245.459 -247.205 64.6878 -122.855 352.59 -119.207 112.391 -62.7716 128.56 PRESSAVG: 1519800 5.4389 26.3346 -5.50279 26.3346 52.7142 49.6567 -5.50274 49.6567 -23.771 GPRESSAVG: 1519800 4.88942 25.2546 -7.421 24.6942 52.5567 51.7211 -5.94038 46.6528 -23.0033 TIMING: 1519800 CPU: 4520.01, 0.00299982/step Wall: 4520.01, 0.00299982/step, 2.9 hours remaining, 205.429688 MB of memory in use. ENERGY: 1519800 728.9698 2046.4342 1937.0953 111.5331 -205559.2626 17675.4518 0.0000 0.0000 34179.5015 -148880.2768 298.4981 -183059.7783 -148791.7485 299.6014 42.8687 78.5634 557886.8417 11.4607 11.4809 PRESSURE: 1520000 -47.9229 119.56 118.941 119.56 -100.206 165.666 118.941 165.665 -236.117 GPRESSURE: 1520000 11.6028 107.674 153.611 48.7072 -132.886 172.813 77.7091 138.281 -166.142 PRESSAVG: 1520000 43.9212 48.4961 66.6092 48.4961 5.16294 -35.28 66.6092 -35.2799 -42.9774 GPRESSAVG: 1520000 44.5894 49.6128 68.9471 49.0381 4.00118 -37.6889 66.1663 -35.0853 -42.2634 TIMING: 1520000 CPU: 4520.61, 0.0029989/step Wall: 4520.61, 0.0029989/step, 2.89894 hours remaining, 205.429688 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: 1520000 734.3460 2075.5380 1948.9393 117.2343 -205683.9138 17556.5713 0.0000 0.0000 34309.8106 -148941.4742 299.6361 -183251.2848 -148838.4933 298.7631 -128.0819 -95.8083 558786.5427 2.0356 2.1091 PRESSURE: 1520200 77.539 -178.759 -67.848 -178.758 -318.317 -60.0292 -67.8481 -60.0281 -120.289 GPRESSURE: 1520200 73.9832 -214.541 -161.09 -121.99 -235.907 -50.573 -32.4303 -80.0678 -103.773 PRESSAVG: 1520200 13.0173 -25.6406 36.9654 -25.6406 61.7969 -37.3307 36.9654 -37.3306 -79.4991 GPRESSAVG: 1520200 12.9794 -26.1157 36.422 -26.9263 60.9999 -35.9875 38.5267 -36.5107 -78.4285 TIMING: 1520200 CPU: 4521.21, 0.00300796/step Wall: 4521.21, 0.00300796/step, 2.90753 hours remaining, 205.429688 MB of memory in use. ENERGY: 1520200 709.5070 2070.5733 1935.5049 109.7554 -205682.2269 17616.5844 0.0000 0.0000 34342.7977 -148897.5043 299.9242 -183240.3019 -148802.7460 299.2999 -120.3555 -88.5655 559098.4552 -1.5616 -1.4831 LDB: ============= START OF LOAD BALANCING ============== 4524.64 LDB: ============== END OF LOAD BALANCING =============== 4524.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4524.65 LDB: ============= START OF LOAD BALANCING ============== 4524.94 LDB: Largest compute 4847 load 0.025353 is 21.5% of average load 0.118073 LDB: Average compute 0.001731 is 1.5% of average load 0.118073 LDB: TIME 4524.95 LOAD: AVG 0.118073 MAX 0.202844 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 4524.95 LOAD: AVG 0.118073 MAX 0.202844 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.629 MB LDB: TIME 4524.95 LOAD: AVG 0.118073 MAX 0.202844 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4524.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4524.95 PRESSURE: 1520400 162.44 7.23853 -168.12 7.23802 -92.7118 -3.60431 -168.119 -3.6056 90.5785 GPRESSURE: 1520400 206.321 -21.4281 -155.469 -17.1949 -60.3459 59.2517 -141.057 -14.5406 107.164 PRESSAVG: 1520400 12.8368 -50.6923 34.8661 -50.6923 15.0911 -28.9681 34.8661 -28.9682 2.47884 GPRESSAVG: 1520400 12.7841 -49.4072 32.477 -49.1402 16.9605 -29.0461 35.0116 -29.5665 0.497973 TIMING: 1520400 CPU: 4521.82, 0.00304645/step Wall: 4521.82, 0.00304645/step, 2.94456 hours remaining, 205.941406 MB of memory in use. ENERGY: 1520400 724.2754 2085.9497 1929.0353 108.5776 -206016.7807 17874.6839 0.0000 0.0000 34244.9241 -149049.3345 299.0694 -183294.2586 -148953.4519 299.0462 53.4355 84.3795 557816.4239 10.1356 10.0808 PRESSURE: 1520600 144.371 -177.823 193.377 -177.824 129.287 -131.541 193.377 -131.541 -20.1497 GPRESSURE: 1520600 229.308 -173.734 226.871 -247.799 124.651 -66.4687 172.073 -160.016 -1.68339 PRESSAVG: 1520600 17.5628 -15.9852 80.8645 -15.9853 -13.0245 8.68106 80.8644 8.68109 13.3263 GPRESSAVG: 1520600 15.9356 -18.2479 83.3492 -14.2167 -12.3793 9.04927 80.4398 10.4002 14.3463 TIMING: 1520600 CPU: 4522.42, 0.00298516/step Wall: 4522.42, 0.00298516/step, 2.88515 hours remaining, 206.140625 MB of memory in use. ENERGY: 1520600 751.4297 2046.1533 1963.5314 109.3207 -206188.7357 17952.8550 0.0000 0.0000 34364.3871 -149001.0586 300.1127 -183365.4456 -148911.6948 299.1529 84.5026 117.4250 556619.2464 5.9548 5.9675 PRESSURE: 1520800 -213.155 -65.482 37.1046 -65.4817 332.458 37.0599 37.1046 37.061 -12.4321 GPRESSURE: 1520800 -163.926 6.93275 -33.4115 -40.7906 407.433 65.0793 61.2994 125.483 -47.2809 PRESSAVG: 1520800 -30.087 -13.9109 74.1835 -13.9109 34.1653 15.4924 74.1834 15.4924 1.65814 GPRESSAVG: 1520800 -28.4111 -12.4419 73.8864 -15.8962 33.2216 13.1304 74.5436 17.9399 1.31982 TIMING: 1520800 CPU: 4523.02, 0.00298069/step Wall: 4523.02, 0.00298069/step, 2.88067 hours remaining, 206.140625 MB of memory in use. ENERGY: 1520800 725.0845 2033.5036 1929.9296 118.9711 -205887.5815 17829.1444 0.0000 0.0000 34308.3185 -148942.6297 299.6231 -183250.9482 -148847.8217 299.7949 35.6236 65.4087 557879.5125 1.9122 2.0434 PRESSURE: 1521000 -244.835 -23.893 33.3153 -23.892 294.156 -58.8052 33.3144 -58.8063 -33.8557 GPRESSURE: 1521000 -187.292 -17.7233 103.156 86.9398 337.21 -27.001 43.212 -7.7233 -35.1735 PRESSAVG: 1521000 -65.3634 -64.5094 -18.7432 -64.5094 91.566 -14.3911 -18.7433 -14.3912 -22.9129 GPRESSAVG: 1521000 -65.516 -65.9297 -18.7861 -62.6441 92.7905 -13.4179 -19.4713 -16.9588 -23.8011 TIMING: 1521000 CPU: 4523.61, 0.00298108/step Wall: 4523.61, 0.00298108/step, 2.88088 hours remaining, 206.140625 MB of memory in use. ENERGY: 1521000 757.3085 2116.1115 1958.9387 118.2246 -206043.6490 17811.3481 0.0000 0.0000 34256.8213 -149024.8963 299.1733 -183281.7176 -148934.0669 299.5554 5.1552 38.2482 557411.3572 1.0966 1.1578 PRESSURE: 1521200 43.1884 -49.5467 -39.1128 -49.5455 -146.859 -3.3132 -39.1131 -3.31471 244.667 GPRESSURE: 1521200 -11.2951 -90.8148 -40.4988 -126.943 -29.6887 -73.5727 -106.682 16.8421 280.925 PRESSAVG: 1521200 -6.59875 -5.62795 47.826 -5.62803 -18.8067 28.5197 47.826 28.5198 -2.10434 GPRESSAVG: 1521200 -6.71111 -7.09707 47.5089 -7.57674 -20.1632 30.2265 45.964 27.2148 -0.993773 TIMING: 1521200 CPU: 4524.21, 0.00298256/step Wall: 4524.21, 0.00298256/step, 2.88215 hours remaining, 206.140625 MB of memory in use. ENERGY: 1521200 732.8174 2086.3102 1931.4999 108.0352 -206130.9152 17874.0057 0.0000 0.0000 34315.0178 -149083.2290 299.6816 -183398.2467 -148991.9359 299.6973 46.9990 79.9804 556280.4806 -9.1699 -9.2894 PRESSURE: 1521400 -174.751 -27.9309 -7.06832 -27.9296 131.78 128.414 -7.06841 128.414 -434.947 GPRESSURE: 1521400 -117.095 37.6782 48.9944 -33.4012 200.417 190.722 -127.763 134.923 -455.478 PRESSAVG: 1521400 15.8119 5.64597 30.2542 5.64596 -0.288504 1.14254 30.2541 1.14262 -24.5058 GPRESSAVG: 1521400 15.5712 7.03849 30.3839 4.66444 0.402435 1.15416 32.166 1.49968 -24.8963 TIMING: 1521400 CPU: 4524.8, 0.00295803/step Wall: 4524.8, 0.00295803/step, 2.85828 hours remaining, 206.140625 MB of memory in use. ENERGY: 1521400 742.8360 2112.8135 1941.3508 119.4632 -205816.9841 17540.8992 0.0000 0.0000 34369.4878 -148990.1336 300.1573 -183359.6214 -148889.8415 300.4027 -159.3061 -124.0518 557152.8374 -2.9941 -2.9742 PRESSURE: 1521600 -177.21 63.8002 14.4169 63.7999 85.5831 -16.4555 14.4172 -16.4541 -279.137 GPRESSURE: 1521600 -118.678 13.2745 11.0286 82.1194 87.5048 54.5664 -8.73607 -75.364 -266.496 PRESSAVG: 1521600 -22.1369 7.05318 -32.1584 7.05318 29.0095 56.3726 -32.1583 56.3728 -63.0717 GPRESSAVG: 1521600 -22.2839 5.72059 -32.9483 8.57699 28.3711 55.133 -31.2509 57.7133 -62.7267 TIMING: 1521600 CPU: 4525.39, 0.00296919/step Wall: 4525.39, 0.00296919/step, 2.8689 hours remaining, 206.140625 MB of memory in use. ENERGY: 1521600 733.6706 2115.8920 1943.4909 109.9054 -205755.6905 17695.9606 0.0000 0.0000 34162.5498 -148994.2211 298.3500 -183156.7709 -148901.7442 300.1530 -123.5881 -99.2233 558261.7029 -18.7330 -18.8798 PRESSURE: 1521800 146.064 206.807 100.877 206.807 39.3714 52.5895 100.878 52.5917 118.53 GPRESSURE: 1521800 178.566 157.939 21.4557 268.214 95.9906 -10.6394 153.006 41.5599 133.606 PRESSAVG: 1521800 -16.9109 13.9646 -12.802 13.9646 41.6367 7.35459 -12.8019 7.35453 -19.0004 GPRESSAVG: 1521800 -17.978 15.2725 -11.8654 15.1396 42.4058 6.94826 -14.3534 7.29384 -18.7391 TIMING: 1521800 CPU: 4526, 0.00300916/step Wall: 4526, 0.00300916/step, 2.90735 hours remaining, 206.140625 MB of memory in use. ENERGY: 1521800 752.5723 2072.0436 1920.4816 107.6142 -206173.3441 17949.9353 0.0000 0.0000 34113.9488 -149256.7483 297.9256 -183370.6971 -149166.1538 299.4540 101.3218 136.0541 555947.1533 1.9084 1.8962 PRESSURE: 1522000 -144.732 69.316 234.699 69.3171 218.776 -37.9169 234.698 -37.9163 -54.379 GPRESSURE: 1522000 -121.421 73.0768 179.611 130.813 216.341 67.1182 238.208 -92.8658 0.273043 PRESSAVG: 1522000 -22.7964 5.12038 50.0004 5.12026 42.1077 17.6161 50.0004 17.6161 6.27478 GPRESSAVG: 1522000 -21.3697 4.21098 49.169 5.23965 40.289 19.4202 51.6263 15.2562 6.1563 TIMING: 1522000 CPU: 4526.6, 0.00300509/step Wall: 4526.6, 0.00300509/step, 2.90325 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: 1522000 734.5303 2021.2769 1939.5020 112.0958 -206358.7493 17840.4668 0.0000 0.0000 34309.8662 -149401.0114 299.6366 -183710.8776 -149312.3757 299.0271 6.5548 31.7312 556498.2833 8.5287 8.3585 PRESSURE: 1522200 -38.0002 -98.0779 105.158 -98.0783 -151.997 -59.4965 105.158 -59.4955 -345.922 GPRESSURE: 1522200 54.7414 -138.034 123.114 -53.3158 -99.7322 -97.1587 125.405 -47.3773 -385.18 PRESSAVG: 1522200 25.1078 -7.77482 110.7 -7.77479 -5.60298 25.9802 110.699 25.9802 9.16683 GPRESSAVG: 1522200 24.0579 -5.69801 111.787 -8.69089 -4.29038 24.0322 110.802 27.4735 9.39664 TIMING: 1522200 CPU: 4527.2, 0.00302427/step Wall: 4527.2, 0.00302427/step, 2.92161 hours remaining, 206.140625 MB of memory in use. ENERGY: 1522200 753.3889 2060.2386 1926.4873 114.4822 -206284.2398 17643.1966 0.0000 0.0000 34371.0917 -149415.3545 300.1713 -183786.4462 -149314.9027 299.6070 -178.6398 -143.3903 557682.0556 9.5572 9.7214 PRESSURE: 1522400 46.5855 -105.533 -56.1036 -105.532 87.2768 -145.621 -56.1037 -145.621 -286.599 GPRESSURE: 1522400 47.3184 -79.6163 -46.6812 -118.885 146.768 -117.129 -15.1681 -169.653 -249.889 PRESSAVG: 1522400 49.8943 -56.3154 -47.3969 -56.3155 13.7008 8.35675 -47.397 8.35691 -50.0965 GPRESSAVG: 1522400 49.8264 -57.7211 -46.4342 -55.0705 14.0157 7.15996 -50.6392 8.28133 -50.5171 TIMING: 1522400 CPU: 4527.81, 0.00302503/step Wall: 4527.81, 0.00302503/step, 2.92218 hours remaining, 206.140625 MB of memory in use. ENERGY: 1522400 733.6986 2064.6812 1940.6334 118.4146 -206391.1120 17809.8269 0.0000 0.0000 34235.6476 -149488.2097 298.9884 -183723.8573 -149394.4610 299.0797 -50.9122 -18.6010 555308.3424 4.4995 4.4416 PRESSURE: 1522600 -426.66 -21.188 -70.62 -21.1883 144.486 73.215 -70.6217 73.2165 -52.8526 GPRESSURE: 1522600 -315.962 -64.3935 -87.6569 -27.8292 130.187 120.573 -127.46 111.658 -61.466 PRESSAVG: 1522600 -37.3827 -38.6586 24.205 -38.6587 109.802 -51.8024 24.2049 -51.8025 -32.3456 GPRESSAVG: 1522600 -36.7979 -38.7463 23.1573 -37.2414 109.215 -49.8789 27.4585 -50.7068 -32.4119 TIMING: 1522600 CPU: 4528.41, 0.00300764/step Wall: 4528.41, 0.00300764/step, 2.90521 hours remaining, 206.140625 MB of memory in use. ENERGY: 1522600 767.6117 2095.9279 1911.1825 109.6411 -206445.0873 17779.2871 0.0000 0.0000 34337.7085 -149443.7285 299.8797 -183781.4370 -149344.7362 299.5297 -111.6755 -82.4136 556047.5700 13.3580 13.3350 PRESSURE: 1522800 -176.933 -104.611 -5.26554 -104.612 -161.417 -109.719 -5.26418 -109.719 -365.288 GPRESSURE: 1522800 -139.042 -145.434 31.4214 -184.843 -123.147 -95.8191 9.55954 -120.787 -347.413 PRESSAVG: 1522800 -15.2339 -40.7687 46.8076 -40.7688 35.1961 -18.0449 46.8075 -18.045 -27.095 GPRESSAVG: 1522800 -15.9521 -41.1346 44.3827 -41.9806 35.4984 -19.6537 46.2351 -18.6322 -26.8087 TIMING: 1522800 CPU: 4529.01, 0.00302293/step Wall: 4529.01, 0.00302293/step, 2.91981 hours remaining, 206.140625 MB of memory in use. ENERGY: 1522800 793.6505 2064.3721 1952.5842 120.7875 -206252.0894 17576.7342 0.0000 0.0000 34400.8954 -149343.0656 300.4316 -183743.9611 -149239.0557 299.6756 -234.5460 -203.2006 554874.8465 -2.3776 -2.4208 PRESSURE: 1523000 90.1 55.4552 85.8809 55.4547 87.3732 -50.6946 85.8808 -50.6959 196.264 GPRESSURE: 1523000 89 80.7893 48.5272 131.233 107.877 -39.4298 99.6442 -69.4207 279.891 PRESSAVG: 1523000 -28.8276 -0.531605 -20.3554 -0.531584 27.4501 -3.55061 -20.3554 -3.5506 26.3287 GPRESSAVG: 1523000 -28.3259 0.91861 -18.2563 -1.96675 28.0043 -1.94756 -20.5639 -4.26282 25.0688 TIMING: 1523000 CPU: 4529.61, 0.00300663/step Wall: 4529.61, 0.00300663/step, 2.90391 hours remaining, 206.140625 MB of memory in use. ENERGY: 1523000 719.3337 2040.0170 1956.3235 106.1836 -206444.2549 17903.4702 0.0000 0.0000 34327.9306 -149390.9963 299.7944 -183718.9269 -149289.3471 300.0029 124.5792 158.9225 554921.0388 8.3171 8.2491 PRESSURE: 1523200 -315.054 37.4 -117.091 37.4009 -418.4 -13.7525 -117.091 -13.7532 -91.2777 GPRESSURE: 1523200 -318.665 27.7498 -91.247 55.5856 -380.553 12.032 -151.722 -65.9687 -42.4812 PRESSAVG: 1523200 -16.8281 -4.08803 -27.9645 -4.08795 2.60201 15.9531 -27.9644 15.9529 29.5958 GPRESSAVG: 1523200 -17.9354 -2.5829 -28.463 -3.23428 2.4316 15.634 -28.2401 16.0958 30.1042 TIMING: 1523200 CPU: 4530.21, 0.0029779/step Wall: 4530.21, 0.0029779/step, 2.87599 hours remaining, 206.140625 MB of memory in use. ENERGY: 1523200 773.3315 2127.2901 1932.7779 109.4093 -206281.2762 17608.4441 0.0000 0.0000 34206.8356 -149523.1877 298.7368 -183730.0233 -149424.3309 298.5994 -274.9105 -247.2328 557402.7960 5.1232 4.8668 PRESSURE: 1523400 -98.7757 162.068 20.1175 162.067 -37.1818 94.5799 20.1171 94.5795 -190.079 GPRESSURE: 1523400 -38.5243 90.5882 55.4481 159.794 -6.95479 208.941 -22.5771 47.1673 -183.593 PRESSAVG: 1523400 -11.5644 -25.8121 -16.611 -25.812 -13.6187 33.2456 -16.611 33.2455 22.8736 GPRESSAVG: 1523400 -11.2448 -27.4134 -14.9336 -24.537 -14.2562 32.8563 -17.3205 33.6711 23.2558 TIMING: 1523400 CPU: 4530.81, 0.00299676/step Wall: 4530.81, 0.00299676/step, 2.89404 hours remaining, 206.140625 MB of memory in use. ENERGY: 1523400 747.5987 2036.4104 1944.6065 117.0076 -206216.5250 17822.2797 0.0000 0.0000 34088.3048 -149460.3173 297.7016 -183548.6222 -149368.5007 299.0243 -108.6788 -76.3574 558618.1930 -0.7698 -0.7484 PRESSURE: 1523600 51.4345 -27.0593 52.0474 -27.0593 -171.321 106.805 52.0483 106.807 206.613 GPRESSURE: 1523600 47.2397 -18.7696 87.3001 -21.6544 -129.944 92.2491 44.0551 93.223 260.174 PRESSAVG: 1523600 23.4057 74.8931 -12.8398 74.8931 10.0736 -25.9348 -12.8397 -25.9349 -23.2747 GPRESSAVG: 1523600 22.645 76.2751 -13.8666 74.3672 9.22211 -24.8419 -12.0483 -26.655 -22.2239 TIMING: 1523600 CPU: 4531.41, 0.00298517/step Wall: 4531.41, 0.00298517/step, 2.88268 hours remaining, 206.140625 MB of memory in use. ENERGY: 1523600 729.5420 2084.1788 1914.7822 113.9926 -206110.5153 17720.7191 0.0000 0.0000 34138.3672 -149408.9333 298.1389 -183547.3006 -149310.9691 298.3747 28.9090 59.1565 558211.5054 3.4016 3.2144 PRESSURE: 1523800 -92.7767 69.669 -99.4511 69.6679 -14.3966 20.3842 -99.4514 20.3836 -86.671 GPRESSURE: 1523800 -61.4859 86.9616 -84.6431 72.2649 25.4213 -54.1868 -148.07 -35.7315 -69.622 PRESSAVG: 1523800 -28.0478 -11.997 9.47869 -11.997 -17.472 39.9269 9.47875 39.9269 38.4873 GPRESSAVG: 1523800 -27.0522 -10.8141 7.98192 -13.3323 -16.2155 39.5907 10.452 40.3768 36.6293 TIMING: 1523800 CPU: 4532, 0.00296822/step Wall: 4532, 0.00296822/step, 2.86615 hours remaining, 206.140625 MB of memory in use. ENERGY: 1523800 729.9120 2173.2750 1940.3292 114.4480 -206101.3228 17700.8595 0.0000 0.0000 34188.9447 -149253.5543 298.5806 -183442.4990 -149160.1939 299.0519 -64.6148 -35.2289 557980.6849 -2.3442 -2.2128 PRESSURE: 1524000 164.767 53.3128 159.507 53.3142 115.32 196.775 159.507 196.773 208.928 GPRESSURE: 1524000 209.519 -1.47012 220.566 -0.682767 96.3137 205.078 93.0447 199.279 278.068 PRESSAVG: 1524000 -39.8612 1.08083 -32.7861 1.0808 26.646 22.1676 -32.7861 22.1675 8.09094 GPRESSAVG: 1524000 -39.969 -0.555734 -32.1467 2.44595 26.8427 22.379 -32.2127 22.754 8.29843 TIMING: 1524000 CPU: 4532.6, 0.00297981/step Wall: 4532.6, 0.00297981/step, 2.87717 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: 1524000 719.9593 2084.0432 1945.8165 118.2951 -206475.3903 18125.2207 0.0000 0.0000 34197.3907 -149284.6647 298.6543 -183482.0554 -149185.8437 299.1104 163.0051 194.6334 557380.1099 -1.7081 -1.6093 PRESSURE: 1524200 46.8375 -11.7835 -9.84198 -11.7848 -48.3227 155.549 -9.84232 155.55 205.235 GPRESSURE: 1524200 110.353 28.1888 -25.5508 3.72231 -25.9449 246.63 27.4914 144.829 226.19 PRESSAVG: 1524200 16.0616 4.75374 23.0259 4.75368 41.7397 21.6727 23.0258 21.6727 -43.905 GPRESSAVG: 1524200 17.795 3.96488 23.5168 5.30332 41.1961 21.1743 21.52 23.555 -44.6964 TIMING: 1524200 CPU: 4533.19, 0.00297532/step Wall: 4533.19, 0.00297532/step, 2.87267 hours remaining, 206.140625 MB of memory in use. ENERGY: 1524200 704.4103 2127.0039 1922.8793 117.5797 -206151.1371 17898.6867 0.0000 0.0000 34181.1653 -149199.4119 298.5126 -183380.5772 -149107.5477 298.7853 67.9166 103.5328 557995.4265 4.6321 4.7649 LDB: ============= START OF LOAD BALANCING ============== 4536.62 LDB: ============== END OF LOAD BALANCING =============== 4536.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4536.62 LDB: ============= START OF LOAD BALANCING ============== 4536.92 LDB: Largest compute 4847 load 0.024888 is 21.1% of average load 0.118100 LDB: Average compute 0.001728 is 1.5% of average load 0.118100 LDB: TIME 4536.92 LOAD: AVG 0.1181 MAX 0.202298 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 4536.92 LOAD: AVG 0.1181 MAX 0.202298 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 4536.92 LOAD: AVG 0.1181 MAX 0.202298 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: ============== END OF LOAD BALANCING =============== 4536.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4536.92 PRESSURE: 1524400 163.23 -151.545 1.06874 -151.545 50.0399 238.386 1.06756 238.385 116.87 GPRESSURE: 1524400 217.495 -114.378 -43.0778 -173.842 91.9872 234.436 -7.2285 166.832 104.923 PRESSAVG: 1524400 -38.3609 -22.5124 6.04697 -22.5125 6.43791 4.985 6.04694 4.98514 25.1749 GPRESSAVG: 1524400 -39.3267 -20.3108 5.77493 -22.5799 6.73824 3.15748 5.27062 4.40734 26.2189 TIMING: 1524400 CPU: 4533.8, 0.00301882/step Wall: 4533.8, 0.00301882/step, 2.91451 hours remaining, 205.941406 MB of memory in use. ENERGY: 1524400 767.7915 2124.8039 1958.7593 111.6403 -206443.0232 18123.5696 0.0000 0.0000 34142.5847 -149213.8739 298.1757 -183356.4587 -149117.2685 298.5069 110.0465 138.1351 557861.1559 -2.2494 -2.1232 PRESSURE: 1524600 145.928 96.7865 -24.4264 96.7855 -17.3211 4.04633 -24.4265 4.04759 -2.04449 GPRESSURE: 1524600 136.343 88.8483 11.4526 122.342 22.5896 39.5199 -37.5496 68.3991 58.9949 PRESSAVG: 1524600 35.0771 -27.3128 22.9824 -27.3129 -6.53154 0.873558 22.9824 0.873539 -8.78654 GPRESSAVG: 1524600 33.7499 -29.2554 23.3838 -26.7827 -6.12589 3.3659 23.5887 0.0245785 -7.62184 TIMING: 1524600 CPU: 4534.39, 0.00298663/step Wall: 4534.39, 0.00298663/step, 2.88326 hours remaining, 206.140625 MB of memory in use. ENERGY: 1524600 756.9855 2109.8925 1945.7804 115.0399 -206153.7662 17817.8219 0.0000 0.0000 34295.8775 -149112.3685 299.5144 -183408.2460 -149013.2438 299.4980 42.1875 72.6426 556305.0883 6.5864 6.6674 PRESSURE: 1524800 92.2125 9.89444 -72.8455 9.89496 20.8623 16.5705 -72.8446 16.5707 -29.4041 GPRESSURE: 1524800 183.603 -11.3103 -154.504 4.73988 45.4325 -17.2563 -4.87818 27.6327 -57.268 PRESSAVG: 1524800 -42.3464 5.66391 -44.9693 5.66383 6.16232 0.05389 -44.9692 0.0539496 27.3522 GPRESSAVG: 1524800 -41.292 5.87963 -45.2518 5.06174 7.61347 1.37724 -45.2592 0.0100105 25.3573 TIMING: 1524800 CPU: 4534.99, 0.00296605/step Wall: 4534.99, 0.00296605/step, 2.86323 hours remaining, 206.140625 MB of memory in use. ENERGY: 1524800 798.3820 2084.7462 1968.6401 115.9421 -206178.9057 17810.1850 0.0000 0.0000 34238.9722 -149162.0381 299.0175 -183401.0103 -149066.8918 299.8006 27.8902 57.2557 557057.2796 -2.9439 -2.7738 PRESSURE: 1525000 -152.991 -111.234 -133.38 -111.234 152.663 55.3791 -133.38 55.38 56.8738 GPRESSURE: 1525000 -103.135 -149.159 -49.422 -86.832 191.228 -7.6061 -150.648 48.201 66.0471 PRESSAVG: 1525000 8.83654 13.9364 11.8114 13.9363 -16.8199 17.3025 11.8116 17.3025 -20.6267 GPRESSAVG: 1525000 9.31497 16.6731 11.5501 11.7598 -17.0264 15.4535 13.1051 18.3215 -20.7671 TIMING: 1525000 CPU: 4535.59, 0.0030011/step Wall: 4535.59, 0.0030011/step, 2.8969 hours remaining, 206.140625 MB of memory in use. ENERGY: 1525000 748.7424 2106.0205 1936.5386 124.5376 -206226.2794 17965.1298 0.0000 0.0000 34195.0405 -149150.2700 298.6338 -183345.3105 -149051.6068 300.0731 18.8484 51.3799 557961.1306 -9.5367 -9.4928 PRESSURE: 1525200 88.7918 5.67148 -59.1384 5.67289 67.2998 -7.08717 -59.1381 -7.08801 -62.7843 GPRESSURE: 1525200 183.416 -11.921 -61.5413 -54.2684 115.403 15.3207 -60.607 61.4875 -99.9004 PRESSAVG: 1525200 -7.5532 24.5246 -61.4009 24.5246 -4.31672 49.1047 -61.4008 49.1047 -7.52249 GPRESSAVG: 1525200 -8.29324 22.4205 -61.3633 27.0803 -4.9102 48.3447 -62.9564 48.3915 -6.8755 TIMING: 1525200 CPU: 4536.18, 0.0029795/step Wall: 4536.18, 0.0029795/step, 2.87588 hours remaining, 206.140625 MB of memory in use. ENERGY: 1525200 731.2365 2104.4838 1967.6879 104.5443 -205869.8377 17824.1156 0.0000 0.0000 34031.0624 -149106.7072 297.2017 -183137.7697 -149009.9759 299.5263 31.1025 66.3061 557337.9212 -6.4641 -6.6930 PRESSURE: 1525400 119.503 -39.8051 80.4597 -39.8051 95.9811 75.6426 80.4593 75.6406 -323.995 GPRESSURE: 1525400 150.711 -115.052 32.4415 56.7974 113.309 133.692 172.722 30.7112 -270.295 PRESSAVG: 1525400 41.2898 -31.2224 0.849213 -31.2225 8.84604 -10.7303 0.849183 -10.7304 -6.39914 GPRESSAVG: 1525400 40.8912 -30.5924 0.938293 -31.0691 8.12099 -10.493 2.56907 -11.6925 -5.17037 TIMING: 1525400 CPU: 4536.78, 0.00297289/step Wall: 4536.78, 0.00297289/step, 2.86933 hours remaining, 206.140625 MB of memory in use. ENERGY: 1525400 709.0015 2045.8232 1905.0869 107.9136 -206123.1195 17712.6513 0.0000 0.0000 34335.6799 -149306.9630 299.8620 -183642.6429 -149216.9658 299.2571 -36.1702 -2.0918 558210.0747 14.5789 14.6139 PRESSURE: 1525600 30.6863 -123.531 -32.301 -123.531 5.48046 -116.389 -32.3014 -116.391 -277.192 GPRESSURE: 1525600 2.56673 -95.0179 -13.1572 -170.687 67.3688 -131.419 -121.705 -59.606 -212.736 PRESSAVG: 1525600 16.9062 -38.0288 61.4582 -38.029 9.27508 -3.64396 61.4581 -3.64399 -33.8964 GPRESSAVG: 1525600 17.2159 -38.3182 62.3837 -38.7233 9.76692 -3.0729 59.5981 -3.52732 -34.3762 TIMING: 1525600 CPU: 4537.37, 0.00297398/step Wall: 4537.37, 0.00297398/step, 2.87022 hours remaining, 206.140625 MB of memory in use. ENERGY: 1525600 742.9066 2127.0379 1928.3236 108.9358 -206264.2124 17734.4274 0.0000 0.0000 34362.6345 -149259.9465 300.0974 -183622.5810 -149166.0496 298.8523 -80.3418 -47.6002 556671.1554 -2.5717 -2.4645 PRESSURE: 1525800 -1.47815 146.857 10.298 146.855 -400.765 -17.645 10.2983 -17.6453 -48.6921 GPRESSURE: 1525800 49.3675 154.799 77.3888 151.012 -370.924 42.0584 -116.061 -20.5187 -10.5864 PRESSAVG: 1525800 17.0521 -20.4524 18.5538 -20.4524 8.22501 -41.0565 18.5537 -41.0565 -1.23628 GPRESSAVG: 1525800 16.7101 -21.0513 17.5818 -19.6717 8.28518 -41.2702 19.7003 -39.8986 -0.712524 TIMING: 1525800 CPU: 4537.96, 0.00296423/step Wall: 4537.96, 0.00296423/step, 2.86065 hours remaining, 206.140625 MB of memory in use. ENERGY: 1525800 741.1778 2052.2895 1943.4717 113.2546 -206363.7728 17886.7764 0.0000 0.0000 34296.8475 -149329.9553 299.5229 -183626.8028 -149227.2550 298.9361 -150.3118 -110.7143 557889.3366 8.0136 8.0943 PRESSURE: 1526000 -429.02 -74.7329 -59.5558 -74.7335 -292.726 -50.1145 -59.5572 -50.1155 -236.909 GPRESSURE: 1526000 -419.464 -65.4243 -47.9205 -119.946 -258.72 -113.551 -77.2344 -53.4471 -187.384 PRESSAVG: 1526000 34.1801 13.1798 -14.2225 13.1798 -26.4468 -31.8006 -14.2225 -31.8005 2.76702 GPRESSAVG: 1526000 33.778 15.7493 -14.7655 10.5217 -26.1205 -31.6221 -15.197 -33.0314 2.32703 TIMING: 1526000 CPU: 4538.56, 0.00296077/step Wall: 4538.56, 0.00296077/step, 2.85714 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: 1526000 757.2324 2069.0934 1977.9024 111.1544 -205804.9843 17399.6822 0.0000 0.0000 34082.7782 -149407.1414 297.6534 -183489.9196 -149316.6735 299.0229 -319.5518 -288.5223 557860.4344 3.5001 3.3282 PRESSURE: 1526200 138.244 45.4152 24.0911 45.4149 162.916 -2.34492 24.0912 -2.34676 110.444 GPRESSURE: 1526200 268 72.2459 56.7565 61.6082 153.553 54.2263 17.247 -34.7358 91.4989 PRESSAVG: 1526200 15.6671 -23.4218 -37.2493 -23.4218 -7.97413 27.6807 -37.2493 27.6806 -19.6212 GPRESSAVG: 1526200 15.2952 -24.9757 -36.0569 -21.0642 -7.82699 29.7645 -35.912 26.3544 -19.5503 TIMING: 1526200 CPU: 4539.15, 0.00296861/step Wall: 4539.15, 0.00296861/step, 2.86454 hours remaining, 206.140625 MB of memory in use. ENERGY: 1526200 714.0566 2085.1829 1956.1419 115.2733 -206343.1085 17964.5503 0.0000 0.0000 34297.1306 -149210.7727 299.5254 -183507.9033 -149123.3589 298.6691 137.2012 171.0175 556691.3733 -3.9761 -4.0274 PRESSURE: 1526400 154.041 -95.2865 -15.5829 -95.2853 16.5992 -198.156 -15.5832 -198.156 108.871 GPRESSURE: 1526400 119.348 -105.899 -92.5923 -84.5052 87.7274 -284.005 -35.7238 -147.217 167.358 PRESSAVG: 1526400 7.06391 -20.8933 -7.78726 -20.8933 -39.7508 5.64335 -7.78726 5.64341 24.4501 GPRESSAVG: 1526400 7.2608 -21.6376 -6.56121 -21.2235 -39.8013 4.7943 -10.7389 7.77347 24.8321 TIMING: 1526400 CPU: 4539.75, 0.00299513/step Wall: 4539.75, 0.00299513/step, 2.88996 hours remaining, 206.140625 MB of memory in use. ENERGY: 1526400 758.4535 2035.3138 1937.9549 110.4519 -206516.5437 18098.1345 0.0000 0.0000 34376.6519 -149199.5832 300.2199 -183576.2351 -149100.0317 299.6241 93.1705 124.8113 557201.9994 -2.7456 -2.5695 PRESSURE: 1526600 -37.4864 -30.2335 -100.448 -30.2348 81.298 34.3946 -100.448 34.393 61.3408 GPRESSURE: 1526600 9.14534 -87.3806 -51.6819 35.4874 156.754 -19.1772 -170.933 123.594 32.6445 PRESSAVG: 1526600 -40.0244 -81.0641 -10.7594 -81.0642 36.9641 -22.6804 -10.7593 -22.6803 -11.4031 GPRESSAVG: 1526600 -38.6233 -80.7841 -14.2989 -82.9996 35.5442 -23.4999 -6.52844 -24.0965 -11.9791 TIMING: 1526600 CPU: 4540.34, 0.0029524/step Wall: 4540.34, 0.0029524/step, 2.84857 hours remaining, 206.140625 MB of memory in use. ENERGY: 1526600 747.2608 2073.0172 1950.1809 111.0100 -205931.2920 17650.4339 0.0000 0.0000 34301.7345 -149097.6548 299.5656 -183399.3893 -149000.4565 299.3579 35.0508 66.1813 556055.9756 -4.8211 -5.0194 PRESSURE: 1526800 134.7 -30.8185 -53.4277 -30.8167 -82.1969 -173.302 -53.4277 -173.303 -158.306 GPRESSURE: 1526800 158.513 49.2992 -13.2718 -88.9095 -108.049 -112.978 -55.2571 -162.175 -78.2974 PRESSAVG: 1526800 -5.87783 -53.3416 -15.8578 -53.3415 11.5478 -40.4116 -15.8577 -40.4115 11.7627 GPRESSAVG: 1526800 -5.87512 -53.1879 -12.8879 -52.8072 12.5156 -41.3086 -17.7697 -38.8533 10.9587 TIMING: 1526800 CPU: 4540.93, 0.00295982/step Wall: 4540.93, 0.00295982/step, 2.85557 hours remaining, 206.140625 MB of memory in use. ENERGY: 1526800 736.6911 2124.2665 1939.2414 112.8978 -206091.0241 17598.9675 0.0000 0.0000 34496.5427 -149082.4171 301.2669 -183578.9598 -148980.4068 299.2773 -35.2679 -9.2778 556491.4955 5.8109 5.8664 PRESSURE: 1527000 -150.901 -55.8476 53.0748 -55.849 -143.593 8.02825 53.0737 8.02772 -110.579 GPRESSURE: 1527000 -109.354 -94.7803 59.294 -79.2119 -127.842 -15.1488 112.231 26.0318 -72.0063 PRESSAVG: 1527000 35.2313 -0.387999 32.9488 -0.388021 -0.368548 48.8457 32.9488 48.8457 5.11593 GPRESSAVG: 1527000 35.679 0.823792 30.4367 0.725925 -1.76458 51.2117 33.7601 46.4825 6.24459 TIMING: 1527000 CPU: 4541.53, 0.00298554/step Wall: 4541.53, 0.00298554/step, 2.88022 hours remaining, 206.140625 MB of memory in use. ENERGY: 1527000 755.1311 2063.6204 1947.8379 104.9168 -205416.0445 17345.5958 0.0000 0.0000 34289.9824 -148908.9602 299.4629 -183198.9426 -148815.6133 300.1890 -135.0244 -103.0676 558089.6848 13.3262 13.3863 PRESSURE: 1527200 65.611 107.188 34.6861 107.187 -90.0519 151.948 34.6858 151.948 -69.807 GPRESSURE: 1527200 61.0535 161.231 72.5631 105.465 -11.2127 23.1268 -61.9921 132.443 -46.5878 PRESSAVG: 1527200 48.6868 17.0898 -1.59601 17.0898 27.8811 30.5543 -1.59596 30.5544 -62.0391 GPRESSAVG: 1527200 48.4355 15.2969 -1.46297 17.2267 28.857 27.6349 0.113813 33.5357 -61.9992 TIMING: 1527200 CPU: 4542.12, 0.0029699/step Wall: 4542.12, 0.0029699/step, 2.86496 hours remaining, 206.140625 MB of memory in use. ENERGY: 1527200 709.7368 2133.7476 1938.9741 119.8622 -205863.6134 17551.7719 0.0000 0.0000 34398.1049 -149011.4160 300.4072 -183409.5209 -148913.4252 299.6880 -31.4160 1.0843 557517.9179 4.8429 5.0978 PRESSURE: 1527400 -58.0997 26.5886 133.265 26.5882 -450.311 55.5013 133.267 55.5011 76.4533 GPRESSURE: 1527400 -22.2961 2.21148 127.099 153.57 -400.228 21.7079 92.4044 91.507 91.2399 PRESSAVG: 1527400 13.8324 15.9863 -16.4283 15.9864 -33.5739 15.0617 -16.4284 15.0618 24.8593 GPRESSAVG: 1527400 13.1026 17.3671 -14.9942 16.5792 -33.7913 15.3379 -20.9468 14.3984 25.4349 TIMING: 1527400 CPU: 4542.72, 0.00298542/step Wall: 4542.72, 0.00298542/step, 2.87977 hours remaining, 206.140625 MB of memory in use. ENERGY: 1527400 754.6142 2118.5612 1970.4715 109.8969 -206042.1255 17642.4938 0.0000 0.0000 34408.7453 -149037.3426 300.5001 -183446.0879 -148942.7189 299.8392 -143.9858 -110.4282 558176.3935 1.7059 1.5821 PRESSURE: 1527600 185.089 26.5656 -14.8533 26.5668 186.464 45.6997 -14.8545 45.7002 -116.488 GPRESSURE: 1527600 211.405 65.1109 -114.86 -6.13985 224.713 -60.7634 7.09084 52.6709 -84.2012 PRESSAVG: 1527600 20.5233 41.0738 -45.6791 41.0739 -83.8676 14.0897 -45.6789 14.0897 35.3347 GPRESSAVG: 1527600 21.0422 39.0995 -45.3219 41.3834 -82.6113 13.4751 -43.1083 12.7429 33.7131 TIMING: 1527600 CPU: 4543.32, 0.00298487/step Wall: 4543.32, 0.00298487/step, 2.87908 hours remaining, 206.140625 MB of memory in use. ENERGY: 1527600 739.3501 2106.1241 1957.5747 108.3482 -205770.3361 17686.9705 0.0000 0.0000 34001.2390 -149170.7294 296.9413 -183171.9685 -149075.4828 299.2514 85.0213 117.3056 557078.0657 -9.3365 -9.2853 PRESSURE: 1527800 -103.586 -16.1894 30.2593 -16.189 -36.4466 158.461 30.26 158.46 -36.2018 GPRESSURE: 1527800 -103.744 -6.17864 8.18552 -16.4093 18.1025 63.4695 27.1585 212.405 4.17742 PRESSAVG: 1527800 76.5298 -12.9425 -36.8692 -12.9426 -46.1566 19.8564 -36.8692 19.8564 -31.2636 GPRESSAVG: 1527800 76.8713 -11.1235 -38.1382 -13.4387 -46.131 22.1165 -36.8369 18.3731 -31.1371 TIMING: 1527800 CPU: 4543.92, 0.00301173/step Wall: 4543.92, 0.00301173/step, 2.90482 hours remaining, 206.140625 MB of memory in use. ENERGY: 1527800 776.7892 2116.9930 1967.3204 113.1451 -206219.6965 17764.8574 0.0000 0.0000 34291.9791 -149188.6123 299.4804 -183480.5914 -149090.3669 299.2920 -58.7449 -27.1548 558620.5759 -0.2968 -0.1323 PRESSURE: 1528000 276.805 -246.301 -7.70529 -246.301 -6.56927 -74.5099 -7.70623 -74.5109 50.6775 GPRESSURE: 1528000 323.912 -287.209 30.529 -230.659 47.1914 -45.6023 -52.927 -88.2529 51.3329 PRESSAVG: 1528000 5.81778 38.4166 0.884512 38.4165 -11.4395 -16.0748 0.884452 -16.0748 70.7666 GPRESSAVG: 1528000 6.68167 39.0007 1.45618 37.5445 -11.4079 -16.9893 0.806648 -14.9709 70.2717 TIMING: 1528000 CPU: 4544.52, 0.00299468/step Wall: 4544.52, 0.00299468/step, 2.8882 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: 1528000 715.3215 2040.5717 1955.6497 132.2025 -206470.1108 18000.8824 0.0000 0.0000 34381.8773 -149243.6057 300.2655 -183625.4830 -149145.9067 300.2666 106.9710 140.8121 558794.1895 21.7150 21.8485 PRESSURE: 1528200 251.977 75.0735 66.6401 75.0747 59.1385 36.6474 66.6405 36.6473 74.4447 GPRESSURE: 1528200 259.976 80.6574 135.06 14.668 89.3041 51.8271 87.6867 6.58402 138.633 PRESSAVG: 1528200 -64.853 -22.7717 1.14041 -22.7717 17.898 -7.34269 1.14042 -7.34278 61.2797 GPRESSAVG: 1528200 -65.2128 -22.5274 1.56148 -21.6373 16.9116 -7.07817 2.33824 -5.98282 62.6222 TIMING: 1528200 CPU: 4545.12, 0.00299533/step Wall: 4545.12, 0.00299533/step, 2.88866 hours remaining, 206.140625 MB of memory in use. ENERGY: 1528200 739.1980 2116.2441 1957.6148 116.0059 -206664.5681 18295.9717 0.0000 0.0000 34164.9316 -149274.6020 298.3708 -183439.5336 -149179.1096 299.5295 128.5202 162.6377 559619.7683 4.7749 4.7737 LDB: ============= START OF LOAD BALANCING ============== 4548.55 LDB: ============== END OF LOAD BALANCING =============== 4548.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4548.55 LDB: ============= START OF LOAD BALANCING ============== 4548.85 LDB: Largest compute 4847 load 0.026320 is 22.3% of average load 0.118073 LDB: Average compute 0.001726 is 1.5% of average load 0.118073 LDB: TIME 4548.85 LOAD: AVG 0.118073 MAX 0.202973 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 4548.85 LOAD: AVG 0.118073 MAX 0.202973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.004 MB LDB: TIME 4548.85 LOAD: AVG 0.118073 MAX 0.202973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.004 MB LDB: ============== END OF LOAD BALANCING =============== 4548.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4548.86 PRESSURE: 1528400 -72.386 50.7441 103.655 50.744 -300.609 -1.94474 103.655 -1.94574 -223.083 GPRESSURE: 1528400 -86.9816 -12.8077 60.4628 94.262 -214.336 17.708 211.763 -9.31404 -194.216 PRESSAVG: 1528400 6.64455 -14.9961 75.6763 -14.9961 -32.5118 18.1316 75.6764 18.1316 21.4241 GPRESSAVG: 1528400 6.98284 -13.8494 72.7971 -15.4039 -31.8299 19.2664 75.1674 17.5847 20.6925 TIMING: 1528400 CPU: 4545.73, 0.00305618/step Wall: 4545.73, 0.00305618/step, 2.94718 hours remaining, 205.941406 MB of memory in use. ENERGY: 1528400 752.6457 2116.0275 1929.6990 100.4754 -205805.2226 17552.6094 0.0000 0.0000 34255.7048 -149098.0607 299.1636 -183353.7655 -149006.0102 299.0139 -198.6927 -165.1777 560010.5450 -1.4811 -1.3848 PRESSURE: 1528600 -412.842 79.2799 115.688 79.2803 -362.117 79.1583 115.689 79.1589 -380.674 GPRESSURE: 1528600 -396.045 37.4656 108.421 92.1367 -306.971 63.0627 105.973 22.7537 -368.582 PRESSAVG: 1528600 -14.8118 -17.0761 40.8034 -17.0761 44.4318 2.46299 40.8034 2.463 -13.2713 GPRESSAVG: 1528600 -15.7428 -15.4287 42.6683 -17.2568 44.685 0.653742 41.9805 1.39181 -12.8626 TIMING: 1528600 CPU: 4546.33, 0.00298669/step Wall: 4546.33, 0.00298669/step, 2.88 hours remaining, 205.941406 MB of memory in use. ENERGY: 1528600 756.4969 2132.0510 1944.7724 98.4228 -205670.4718 17251.9295 0.0000 0.0000 34324.2933 -149162.5058 299.7626 -183486.7991 -149066.0376 299.8071 -385.2108 -357.1994 560024.5391 5.4495 5.3599 PRESSURE: 1528800 -84.0705 -208.808 -15.8057 -208.809 82.718 -37.4381 -15.8035 -37.436 -55.1979 GPRESSURE: 1528800 -0.973177 -111.599 -53.6089 -230.472 112.03 -20.9224 -21.1817 -2.40595 -70.0559 PRESSAVG: 1528800 -73.7108 60.0209 -5.19326 60.0209 77.0059 -5.35631 -5.19318 -5.35626 22.8618 GPRESSAVG: 1528800 -73.48 59.6577 -5.24217 61.0267 77.6051 -7.93 -9.01323 -2.77821 22.6527 TIMING: 1528800 CPU: 4546.92, 0.00298587/step Wall: 4546.92, 0.00298587/step, 2.87904 hours remaining, 205.941406 MB of memory in use. ENERGY: 1528800 749.2131 2067.5888 1947.6507 112.8615 -206191.3268 17706.3730 0.0000 0.0000 34565.6259 -149042.0138 301.8702 -183607.6397 -148946.7260 299.4158 -18.8501 13.6670 558799.0746 8.7190 8.9259 PRESSURE: 1529000 -191.142 -9.94531 -154.79 -9.94603 -276.941 148.946 -154.79 148.945 85.9672 GPRESSURE: 1529000 -197.235 -19.6136 -95.2613 -17.1354 -225.808 132.7 -144.769 117.378 129.335 PRESSAVG: 1529000 -104.103 -20.7042 5.33571 -20.7043 24.9857 14.6545 5.33564 14.6545 58.6085 GPRESSAVG: 1529000 -105.434 -22.0328 6.08367 -21.023 25.3305 17.7422 6.53048 13.3969 59.456 TIMING: 1529000 CPU: 4547.53, 0.00301257/step Wall: 4547.53, 0.00301257/step, 2.90462 hours remaining, 205.941406 MB of memory in use. ENERGY: 1529000 755.0506 2087.0950 1935.7604 111.1143 -206212.5679 17786.0473 0.0000 0.0000 34431.2746 -149106.2257 300.6969 -183537.5003 -149008.0907 298.9884 -127.3721 -97.9027 557170.1399 -6.8364 -6.8824 PRESSURE: 1529200 -94.9298 21.6353 34.0108 21.6356 62.0797 -122.97 34.0093 -122.969 -210.826 GPRESSURE: 1529200 -48.1723 30.5141 30.5821 21.554 79.9619 -91.2539 10.5627 -179.597 -178.133 PRESSAVG: 1529200 10.0138 33.4438 -2.68669 33.4438 32.327 -26.3587 -2.68666 -26.3586 -69.2869 GPRESSAVG: 1529200 11.4726 32.6285 -3.54468 33.1315 32.1567 -24.1899 -1.86789 -27.915 -70.8408 TIMING: 1529200 CPU: 4548.12, 0.00296526/step Wall: 4548.12, 0.00296526/step, 2.85884 hours remaining, 205.941406 MB of memory in use. ENERGY: 1529200 767.2071 2122.7611 1927.1285 118.3095 -206334.4057 17737.7874 0.0000 0.0000 34285.5532 -149375.6589 299.4243 -183661.2121 -149286.4298 299.5713 -81.2253 -48.7810 557763.0179 -8.9821 -9.0705 PRESSURE: 1529400 157.451 -22.4473 -38.771 -22.4472 -83.9578 61.0989 -38.7711 61.0978 -68.5644 GPRESSURE: 1529400 133.873 23.9372 -49.4277 -25.6421 -30.7643 125.74 -22.4201 40.8334 4.4328 PRESSAVG: 1529400 -16.7145 -14.0694 24.0135 -14.0694 -15.3813 5.55489 24.0135 5.55484 37.6632 GPRESSAVG: 1529400 -16.52 -14.7471 26.5252 -13.8568 -16.3908 5.52095 23.3002 4.6917 38.557 TIMING: 1529400 CPU: 4548.71, 0.00296563/step Wall: 4548.71, 0.00296563/step, 2.85903 hours remaining, 205.941406 MB of memory in use. ENERGY: 1529400 760.8895 2082.7473 1943.7191 121.4608 -206332.8614 17996.3311 0.0000 0.0000 34082.1066 -149345.6070 297.6475 -183427.7136 -149243.9934 298.7581 1.6429 35.8473 558743.9822 1.8558 1.8821 PRESSURE: 1529600 -67.221 -1.2732 26.626 -1.27269 0.980512 43.9573 26.6262 43.9589 -67.3176 GPRESSURE: 1529600 -93.6873 -44.4853 -72.3223 46.3861 100.309 10.9385 1.56055 16.3129 -43.5225 PRESSAVG: 1529600 -44.8887 -52.4891 21.4431 -52.489 -17.1852 48.9026 21.4431 48.9026 81.686 GPRESSAVG: 1529600 -45.8385 -51.4163 17.9787 -53.6278 -16.3299 47.6641 24.3422 51.5881 81.8222 TIMING: 1529600 CPU: 4549.31, 0.00297526/step Wall: 4549.31, 0.00297526/step, 2.86815 hours remaining, 205.941406 MB of memory in use. ENERGY: 1529600 750.1932 2098.0750 1951.6459 101.0377 -206037.9199 17628.0366 0.0000 0.0000 34334.8727 -149174.0587 299.8550 -183508.9314 -149074.8270 299.0183 -44.5194 -12.3004 557929.1574 6.5374 6.5513 PRESSURE: 1529800 -98.8792 195.554 -17.4076 195.553 -25.4648 132.161 -17.4075 132.161 -23.7542 GPRESSURE: 1529800 -12.3309 153.918 -8.86162 205.682 -49.5205 150.537 -46.5721 79.3658 24.0135 PRESSAVG: 1529800 -21.9998 31.379 -47.9411 31.3791 11.9835 7.43262 -47.941 7.43272 34.4715 GPRESSAVG: 1529800 -20.9771 32.0186 -45.1378 32.6525 11.5594 6.94831 -52.1076 6.25532 34.2281 TIMING: 1529800 CPU: 4549.9, 0.00297671/step Wall: 4549.9, 0.00297671/step, 2.86938 hours remaining, 205.941406 MB of memory in use. ENERGY: 1529800 718.9504 2108.5640 1965.7443 98.2797 -206079.8327 17652.9800 0.0000 0.0000 34248.0125 -149287.3017 299.0964 -183535.3143 -149186.4124 299.5290 -49.3661 -12.6126 557556.5916 8.1517 8.2701 PRESSURE: 1530000 -53.3691 -123.544 -136.47 -123.544 -94.1597 -6.4941 -136.471 -6.49413 -190.368 GPRESSURE: 1530000 -55.2123 -138.099 -82.8192 -98.8373 -24.9854 14.4977 -170.423 102.565 -155.455 PRESSAVG: 1530000 -71.1504 31.6027 -40.2523 31.6028 50.4785 24.7614 -40.2523 24.7613 -7.8145 GPRESSAVG: 1530000 -72.3628 30.8456 -42.4055 32.3589 51.4152 25.6055 -38.042 24.1916 -7.62826 TIMING: 1530000 CPU: 4550.5, 0.00296728/step Wall: 4550.5, 0.00296728/step, 2.86013 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: 1530000 726.5089 2048.2537 1960.4672 102.5759 -205947.8219 17692.3040 0.0000 0.0000 33980.5969 -149437.1153 296.7610 -183417.7122 -149339.7116 298.8876 -112.6322 -78.5508 557775.0983 -9.4955 -9.5253 PRESSURE: 1530200 -147.028 85.6904 -61.4061 85.6903 -133.612 10.7871 -61.407 10.7875 8.10399 GPRESSURE: 1530200 -106.805 99.8861 19.2106 94.7691 -27.4628 -35.3642 -58.9322 101.481 -41.7077 PRESSAVG: 1530200 24.2817 -5.00892 1.56081 -5.00888 29.7279 66.8285 1.56076 66.8284 3.78283 GPRESSAVG: 1530200 25.9133 -2.90868 1.43946 -6.84361 29.5814 64.9518 1.93994 67.7241 2.94071 TIMING: 1530200 CPU: 4551.09, 0.00296976/step Wall: 4551.09, 0.00296976/step, 2.86236 hours remaining, 205.941406 MB of memory in use. ENERGY: 1530200 760.5484 2086.1883 1946.5568 98.2623 -206258.9798 17751.5390 0.0000 0.0000 34289.1997 -149326.6854 299.4561 -183615.8851 -149227.0987 298.9587 -90.8453 -58.6584 556821.3013 19.2641 19.4785 PRESSURE: 1530400 -109.36 110.786 64.5218 110.787 0.124435 -101.544 64.5228 -101.545 -254.306 GPRESSURE: 1530400 -86.2223 193.005 123.599 83.2746 22.5674 -139.582 24.517 -71.0981 -211.559 PRESSAVG: 1530400 -24.3433 13.3963 -9.1151 13.3962 11.4415 25.8991 -9.11505 25.8991 -12.2634 GPRESSAVG: 1530400 -26.0966 12.7696 -8.97341 15.0241 10.5039 26.6903 -10.654 25.2495 -9.64383 TIMING: 1530400 CPU: 4551.68, 0.00297784/step Wall: 4551.68, 0.00297784/step, 2.86998 hours remaining, 205.941406 MB of memory in use. ENERGY: 1530400 733.6812 2096.7888 1938.5916 116.8207 -205948.8634 17587.9296 0.0000 0.0000 34281.0489 -149194.0025 299.3849 -183475.0514 -149092.4252 299.2244 -121.1805 -91.7380 557458.8702 -8.3884 -8.4122 PRESSURE: 1530600 -260.802 -7.33475 -19.8749 -7.33504 -25.2469 -104.129 -19.8738 -104.13 221.918 GPRESSURE: 1530600 -224.062 -22.0273 -44.9455 51.1131 -39.2458 -161.375 40.0022 -214.608 279.987 PRESSAVG: 1530600 -42.9083 -9.49347 37.0043 -9.49343 49.0174 -11.1127 37.0043 -11.1127 35.9195 GPRESSAVG: 1530600 -41.3979 -11.8983 35.7246 -8.97385 50.1499 -9.99112 39.2416 -13.5568 33.8299 TIMING: 1530600 CPU: 4552.28, 0.00295939/step Wall: 4552.28, 0.00295939/step, 2.85203 hours remaining, 205.941406 MB of memory in use. ENERGY: 1530600 769.4506 2084.9407 1951.7197 99.8810 -206037.2052 17838.1008 0.0000 0.0000 34168.5996 -149124.5128 298.4029 -183293.1123 -149027.7968 299.2100 -21.3772 5.5597 556689.9931 14.0096 14.1939 PRESSURE: 1530800 21.0695 -75.0504 -38.7533 -75.0493 217.919 -93.6778 -38.7536 -93.6786 -27.132 GPRESSURE: 1530800 92.5266 -56.6845 -137.31 -84.5847 211.299 -114.836 10.0523 -46.6033 12.2419 PRESSAVG: 1530800 -20.8044 24.064 -34.2247 24.064 7.65191 -8.48827 -34.2247 -8.48825 64.2482 GPRESSAVG: 1530800 -21.934 25.4995 -33.1233 22.1324 6.72058 -10.2452 -34.3629 -5.64231 65.5913 TIMING: 1530800 CPU: 4552.87, 0.00297646/step Wall: 4552.87, 0.00297646/step, 2.86831 hours remaining, 205.941406 MB of memory in use. ENERGY: 1530800 754.5806 2079.2657 1985.8373 105.3785 -206236.9374 17985.7517 0.0000 0.0000 34142.6118 -149183.5117 298.1759 -183326.1235 -149090.6236 299.3968 70.6188 105.3560 556750.0155 17.0319 16.7926 PRESSURE: 1531000 147.912 -63.6257 -29.2444 -63.6242 59.4166 99.0558 -29.2443 99.0553 328.436 GPRESSURE: 1531000 192.722 -33.3051 -28.7115 -100.989 97.0669 -39.5019 -17.4495 105.548 353.878 PRESSAVG: 1531000 -16.0747 5.73646 -2.87026 5.73644 -25.807 -27.5172 -2.87038 -27.5171 69.1091 GPRESSAVG: 1531000 -15.4883 3.86461 -1.87546 6.4008 -25.5984 -29.1728 -4.19491 -26.9843 68.9644 TIMING: 1531000 CPU: 4553.47, 0.00298213/step Wall: 4553.47, 0.00298213/step, 2.87362 hours remaining, 205.941406 MB of memory in use. ENERGY: 1531000 712.5712 2120.9623 1938.0790 110.1135 -206503.5955 18125.8787 0.0000 0.0000 34339.2563 -149156.7345 299.8933 -183495.9908 -149056.8446 299.4471 178.5885 214.5558 557926.7901 9.0758 9.2926 PRESSURE: 1531200 -204.02 0.498181 -83.5099 0.500288 76.63 -42.7944 -83.5104 -42.7944 206.577 GPRESSURE: 1531200 -129.005 -31.4782 -18.6834 59.2479 69.3601 42.0112 -68.6256 -30.6199 242.771 PRESSAVG: 1531200 -78.0458 -2.04654 -10.8478 -2.04653 -26.3587 -29.7168 -10.8478 -29.7169 92.345 GPRESSAVG: 1531200 -78.0733 -2.23755 -12.6623 0.112436 -26.5561 -28.31 -12.2836 -30.3917 91.9264 TIMING: 1531200 CPU: 4554.07, 0.00300114/step Wall: 4554.07, 0.00300114/step, 2.89177 hours remaining, 205.941406 MB of memory in use. ENERGY: 1531200 768.9915 2092.6550 1941.3337 114.6464 -206012.7475 17715.3441 0.0000 0.0000 34186.8016 -149192.9752 298.5618 -183379.7768 -149101.2977 299.4883 26.3959 61.0422 557769.1355 -4.0198 -4.2343 PRESSURE: 1531400 117.129 -7.28959 -32.3058 -7.29163 -53.0209 117.34 -32.3055 117.338 359.728 GPRESSURE: 1531400 193.716 -15.8964 -57.0684 -1.38434 -67.3975 -10.8895 -92.8888 115.699 397.472 PRESSAVG: 1531400 -62.8273 -25.1494 44.7982 -25.1494 62.0712 -2.26148 44.7982 -2.26145 29.8886 GPRESSAVG: 1531400 -62.7639 -23.7771 43.5337 -25.4812 62.0512 -3.80183 46.1318 -2.51114 29.4902 TIMING: 1531400 CPU: 4554.67, 0.00299834/step Wall: 4554.67, 0.00299834/step, 2.8889 hours remaining, 205.941406 MB of memory in use. ENERGY: 1531400 755.4606 2093.2734 1946.3000 110.4773 -206527.1936 18138.4997 0.0000 0.0000 34474.6649 -149008.5176 301.0758 -183483.1824 -148911.5391 299.0338 141.2787 174.5966 557608.8417 9.7108 9.5925 PRESSURE: 1531600 0.326014 -65.1711 101.994 -65.1714 -139.108 -59.8134 101.994 -59.8134 87.8651 GPRESSURE: 1531600 86.7256 -34.6527 98.3454 -125.843 -123.192 -79.4762 143.261 -13.1416 84.0945 PRESSAVG: 1531600 -12.4983 10.8581 -15.5565 10.858 -12.4973 -8.83638 -15.5565 -8.83639 49.9559 GPRESSAVG: 1531600 -12.4564 11.4551 -16.1508 9.45807 -11.8509 -7.24572 -13.5954 -9.83198 49.2368 TIMING: 1531600 CPU: 4555.27, 0.00299147/step Wall: 4555.27, 0.00299147/step, 2.88212 hours remaining, 205.941406 MB of memory in use. ENERGY: 1531600 730.0838 2070.4426 1941.2886 112.4421 -206147.9780 17805.9118 0.0000 0.0000 34506.3500 -148981.4591 301.3525 -183487.8091 -148883.2556 299.6811 -16.9722 15.8760 559413.9777 8.3201 8.3098 PRESSURE: 1531800 -121.619 -106.869 -107.964 -106.869 -118.342 -171.207 -107.964 -171.208 26.4562 GPRESSURE: 1531800 -147.344 -143.082 -149.498 -68.9485 -93.4803 -127.193 -93.0484 -170.688 120.383 PRESSAVG: 1531800 -11.065 -54.862 -12.2789 -54.862 28.7493 -55.2389 -12.2788 -55.2388 -54.9641 GPRESSAVG: 1531800 -12.5175 -55.9661 -11.5861 -54.896 28.4071 -54.7997 -11.9345 -55.6241 -53.6876 TIMING: 1531800 CPU: 4555.86, 0.0029843/step Wall: 4555.86, 0.0029843/step, 2.87504 hours remaining, 205.941406 MB of memory in use. ENERGY: 1531800 758.0013 2050.6792 1961.7750 130.1002 -206053.3650 18005.0209 0.0000 0.0000 34035.6218 -149112.1667 297.2416 -183147.7885 -149017.4912 299.7812 -71.1684 -40.1471 561107.2033 -12.4266 -12.5994 PRESSURE: 1532000 72.3636 56.6861 68.4211 56.684 224.982 -40.1454 68.4214 -40.1455 352.669 GPRESSURE: 1532000 153.606 113.99 -4.92358 19.995 294.736 -47.587 135.396 -16.7081 311.4 PRESSAVG: 1532000 -4.76865 14.9202 -24.0831 14.9202 13.2044 -9.22951 -24.0831 -9.22964 4.69827 GPRESSAVG: 1532000 -3.16584 15.6747 -22.9066 14.1825 12.2393 -11.284 -28.0314 -6.90877 3.89119 TIMING: 1532000 CPU: 4556.46, 0.00298872/step Wall: 4556.46, 0.00298872/step, 2.87914 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: 1532000 717.9118 2060.3294 1933.5149 112.2459 -206645.5337 18362.4132 0.0000 0.0000 34325.6691 -149133.4493 299.7746 -183459.1184 -149031.9297 299.1212 216.6716 253.2472 558338.3388 4.3780 4.3215 PRESSURE: 1532200 -348.254 39.2751 56.7839 39.2755 -49.8267 -58.5566 56.783 -58.5564 -294.799 GPRESSURE: 1532200 -289.096 120.403 47.2677 16.5755 -47.335 -106.833 105.874 -160.692 -265.387 PRESSAVG: 1532200 -10.3719 23.895 -3.03115 23.895 63.6218 -59.5694 -3.03111 -59.5695 -43.0975 GPRESSAVG: 1532200 -10.0112 24.5678 -2.44569 24.0153 63.2615 -58.5484 -1.74047 -62.4815 -42.7804 TIMING: 1532200 CPU: 4557.06, 0.00299276/step Wall: 4557.06, 0.00299276/step, 2.88286 hours remaining, 205.941406 MB of memory in use. ENERGY: 1532200 726.0320 2040.4754 1933.3023 117.5527 -205752.1390 17582.7471 0.0000 0.0000 34296.1318 -149055.8978 299.5166 -183352.0296 -148960.0099 299.7005 -230.9600 -200.6058 559764.4982 3.3841 3.4900 LDB: ============= START OF LOAD BALANCING ============== 4560.49 LDB: ============== END OF LOAD BALANCING =============== 4560.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4560.49 LDB: ============= START OF LOAD BALANCING ============== 4560.79 LDB: Largest compute 4847 load 0.024621 is 20.9% of average load 0.118086 LDB: Average compute 0.001721 is 1.5% of average load 0.118086 LDB: TIME 4560.8 LOAD: AVG 0.118086 MAX 0.205165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 4560.8 LOAD: AVG 0.118086 MAX 0.205165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 4560.8 LOAD: AVG 0.118086 MAX 0.205165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4560.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4560.8 PRESSURE: 1532400 -205.584 30.562 -59.9214 30.5634 -332.925 -66.4781 -59.9215 -66.4773 41.6549 GPRESSURE: 1532400 -202.988 11.7462 -25.698 -2.43213 -270.259 4.35466 -23.5584 -71.3007 71.5892 PRESSAVG: 1532400 -20.3421 2.16527 -34.4444 2.16526 -10.8877 -24.9626 -34.4443 -24.9626 -15.2503 GPRESSAVG: 1532400 -21.8039 1.1571 -35.6134 2.98438 -9.00803 -25.2221 -33.8437 -22.8171 -15.3013 TIMING: 1532400 CPU: 4557.67, 0.00306748/step Wall: 4557.67, 0.00306748/step, 2.95466 hours remaining, 205.429688 MB of memory in use. ENERGY: 1532400 764.1637 2072.8960 1918.8345 118.1029 -205941.3467 17668.0457 0.0000 0.0000 34378.5159 -149020.7880 300.2361 -183399.3039 -148919.8986 299.1126 -165.6180 -133.8859 558338.2045 -15.4934 -15.3711 PRESSURE: 1532600 231.442 27.1313 -155.497 27.1309 126.349 224.46 -155.498 224.46 -196.779 GPRESSURE: 1532600 279.361 37.8842 -168.932 94.4741 155.145 212.59 -118.752 192.165 -170.676 PRESSAVG: 1532600 -61.9371 33.02 -88.6343 33.0199 27.3919 47.6972 -88.6343 47.6973 7.66244 GPRESSAVG: 1532600 -60.9042 32.4795 -87.7198 33.947 27.2178 49.2437 -89.912 44.7354 6.87545 TIMING: 1532600 CPU: 4558.27, 0.00297904/step Wall: 4558.27, 0.00297904/step, 2.86931 hours remaining, 205.632812 MB of memory in use. ENERGY: 1532600 697.8216 2122.8703 1910.5975 112.4523 -206157.7505 17896.4646 0.0000 0.0000 34301.4083 -149116.1359 299.5627 -183417.5442 -149025.1399 299.5297 53.6704 87.9433 557834.3295 -8.9609 -8.9370 PRESSURE: 1532800 20.9403 11.8657 6.26822 11.8662 -62.8267 -117.803 6.26749 -117.804 71.336 GPRESSURE: 1532800 62.7831 -70.7513 -49.2759 7.24634 -67.0604 -98.3447 -65.5252 -61.9128 128.356 PRESSAVG: 1532800 -50.3897 -5.63524 -22.7268 -5.63521 -34.1781 2.46532 -22.7268 2.46534 70.1333 GPRESSAVG: 1532800 -50.4923 -4.92433 -23.2059 -6.79495 -33.9808 1.57448 -24.1149 2.8779 69.7597 TIMING: 1532800 CPU: 4558.86, 0.00297536/step Wall: 4558.86, 0.00297536/step, 2.8656 hours remaining, 205.632812 MB of memory in use. ENERGY: 1532800 752.4825 2083.3776 1931.6698 121.9268 -206242.7535 17899.5175 0.0000 0.0000 34233.8970 -149219.8824 298.9731 -183453.7794 -149123.0969 298.7675 9.8165 41.3595 557978.9037 -4.8115 -4.9045 PRESSURE: 1533000 -55.2378 26.6771 109.414 26.6769 67.7656 41.1507 109.415 41.1505 -60.0803 GPRESSURE: 1533000 1.03658 38.9881 115.939 16.1796 62.8371 66.2463 64.4453 -13.4633 -24.3094 PRESSAVG: 1533000 27.6612 -5.54097 25.9973 -5.54106 -47.2748 6.01588 25.9974 6.01585 45.9682 GPRESSAVG: 1533000 25.8865 -3.47418 25.3278 -6.50209 -46.9375 3.33835 29.6156 8.1699 47.3343 TIMING: 1533000 CPU: 4559.46, 0.00300377/step Wall: 4559.46, 0.00300377/step, 2.89279 hours remaining, 205.632812 MB of memory in use. ENERGY: 1533000 759.8637 2090.2378 1968.5431 121.4954 -206242.0591 18020.4004 0.0000 0.0000 34073.8618 -149207.6570 297.5755 -183281.5188 -149110.7327 299.1286 -15.8508 13.1881 558498.2392 8.7849 8.7611 PRESSURE: 1533200 -281.57 -48.2213 126.602 -48.2223 45.3071 33.2367 126.601 33.2353 -53.815 GPRESSURE: 1533200 -241.828 -13.0446 195.805 -39.7423 103.094 51.7066 92.6178 60.9124 -49.4893 PRESSAVG: 1533200 0.12747 0.35821 -22.2755 0.358159 -10.1198 7.51519 -22.2756 7.5152 -16.1493 GPRESSAVG: 1533200 0.652114 0.288969 -18.7979 0.0832687 -10.4696 8.96662 -24.8367 6.59367 -16.2623 TIMING: 1533200 CPU: 4560.07, 0.00301406/step Wall: 4560.07, 0.00301406/step, 2.90254 hours remaining, 205.632812 MB of memory in use. ENERGY: 1533200 723.2296 2134.9440 1948.8408 113.2268 -206040.8404 17611.3470 0.0000 0.0000 34187.3403 -149321.9119 298.5665 -183509.2522 -149225.4608 298.7115 -96.6925 -62.7412 557474.7636 -8.7139 -8.6933 PRESSURE: 1533400 -177.232 -80.3968 -17.861 -80.3966 -30.9241 135.033 -17.8626 135.032 125.867 GPRESSURE: 1533400 -120.287 -72.6512 131.409 -39.6044 41.0257 71.3432 -60.7914 111.135 84.827 PRESSAVG: 1533400 54.8238 -15.7317 -37.588 -15.7318 7.34971 29.8893 -37.5881 29.8894 -78.7661 GPRESSAVG: 1533400 54.382 -17.4787 -38.9608 -13.4655 7.57166 31.4475 -38.527 30.0295 -78.5483 TIMING: 1533400 CPU: 4560.66, 0.00297678/step Wall: 4560.66, 0.00297678/step, 2.86647 hours remaining, 205.632812 MB of memory in use. ENERGY: 1533400 758.1486 2114.7620 1958.6803 130.0788 -206619.6959 18037.1421 0.0000 0.0000 34306.7705 -149314.1136 299.6096 -183620.8841 -149215.1901 298.7352 -27.4300 1.8553 558317.3749 -5.5309 -5.5315 PRESSURE: 1533600 -198.317 -123.726 -47.5674 -123.728 -91.1039 106.797 -47.5669 106.798 -100.722 GPRESSURE: 1533600 -227.482 -207.609 -3.48387 -127.401 -35.6595 154.899 -95.4829 77.8868 -26.7017 PRESSAVG: 1533600 -39.9034 -15.2838 -13.7731 -15.2839 23.0289 14.2843 -13.7731 14.2842 0.431994 GPRESSAVG: 1533600 -38.357 -13.5491 -17.0604 -18.3321 23.6849 12.342 -10.6224 14.8758 -1.67316 TIMING: 1533600 CPU: 4561.26, 0.0029736/step Wall: 4561.26, 0.0029736/step, 2.86325 hours remaining, 205.632812 MB of memory in use. ENERGY: 1533600 794.2317 2109.4148 1922.4664 112.4016 -205991.8788 17651.7907 0.0000 0.0000 34191.2652 -149210.3084 298.6008 -183401.5736 -149115.7174 299.3540 -130.0476 -96.6145 557401.0242 -5.4809 -5.4484 PRESSURE: 1533800 -116.785 34.1254 -139.096 34.1275 -141.517 41.3372 -139.096 41.3388 -243.311 GPRESSURE: 1533800 -12.8751 6.74446 -101.416 81.4899 -112.624 89.2189 -172.81 23.8305 -270.949 PRESSAVG: 1533800 -54.1318 -26.9987 -79.0114 -26.9987 6.95902 33.1312 -79.0114 33.1311 18.5084 GPRESSAVG: 1533800 -54.9757 -28.4638 -77.1076 -24.014 6.10115 36.0538 -80.0386 34.25 20.0433 TIMING: 1533800 CPU: 4561.86, 0.00299229/step Wall: 4561.86, 0.00299229/step, 2.88108 hours remaining, 205.632812 MB of memory in use. ENERGY: 1533800 741.2838 2135.6705 1944.2201 122.3338 -206057.4449 17504.3223 0.0000 0.0000 34505.6416 -149103.9727 301.3464 -183609.6143 -149005.9250 300.0314 -167.2045 -132.1495 557361.9624 -9.5548 -9.6104 PRESSURE: 1534000 -122.332 70.0178 35.912 70.0175 -12.3281 2.53621 35.9132 2.53514 -150.002 GPRESSURE: 1534000 -99.5995 132.444 -3.63482 70.5925 10.3748 80.0373 -25.5324 -61.2011 -93.6361 PRESSAVG: 1534000 3.64802 19.5623 -28.2948 19.5625 39.544 19.1023 -28.295 19.1023 -45.7866 GPRESSAVG: 1534000 2.06135 20.5252 -27.08 17.7986 41.3249 17.0389 -29.7749 17.8442 -45.2468 TIMING: 1534000 CPU: 4562.45, 0.00298656/step Wall: 4562.45, 0.00298656/step, 2.87539 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: 1534000 713.0952 2128.2515 1946.3055 112.1322 -206135.2032 17739.0726 0.0000 0.0000 34343.4292 -149152.9171 299.9297 -183496.3463 -149046.2515 300.1562 -94.8875 -60.9536 558941.2230 -0.8649 -0.6202 PRESSURE: 1534200 -17.8507 74.9837 -46.4823 74.9843 -293.818 85.1708 -46.4805 85.1721 178.867 GPRESSURE: 1534200 1.10882 50.8663 -3.67344 55.7195 -236.568 -17.9802 -106.895 120.015 190.046 PRESSAVG: 1534200 -10.0802 -0.830725 -54.0647 -0.830736 -8.54645 -19.6077 -54.0646 -19.6076 10.3018 GPRESSAVG: 1534200 -8.86908 -0.535298 -57.7174 -0.663175 -9.59558 -20.9285 -49.7554 -18.5346 10.2881 TIMING: 1534200 CPU: 4563.05, 0.00297297/step Wall: 4563.05, 0.00297297/step, 2.86214 hours remaining, 205.632812 MB of memory in use. ENERGY: 1534200 757.2641 2096.6786 1945.6531 104.9967 -206231.7711 17757.2268 0.0000 0.0000 34151.5245 -149418.4273 298.2538 -183569.9519 -149323.2233 298.5146 -44.2674 -15.1378 557942.2316 -2.7750 -2.7255 PRESSURE: 1534400 -41.9664 239.383 34.9031 239.383 -95.5829 14.3845 34.9021 14.3852 -229.102 GPRESSURE: 1534400 37.1993 237.23 63.046 202.909 -77.2718 -11.899 104.598 5.14281 -233.117 PRESSAVG: 1534400 -8.9156 16.083 -42.8586 16.083 -80.7789 -16.5499 -42.8586 -16.5499 56.0727 GPRESSAVG: 1534400 -8.97979 14.0788 -39.5346 16.5787 -81.6352 -14.4038 -45.3448 -19.3986 56.7741 TIMING: 1534400 CPU: 4563.64, 0.00297329/step Wall: 4563.64, 0.00297329/step, 2.86228 hours remaining, 205.632812 MB of memory in use. ENERGY: 1534400 767.1558 2089.7822 1910.6680 111.5913 -206037.4380 17580.6549 0.0000 0.0000 34058.8634 -149518.7224 297.4445 -183577.5857 -149427.1477 297.8659 -122.2172 -91.0633 558286.1682 -11.2073 -11.2803 PRESSURE: 1534600 -39.0959 -156.427 -51.5002 -156.428 -305.219 -3.82737 -51.4994 -3.82805 -296.558 GPRESSURE: 1534600 -20.147 -136.537 -118.807 -113.873 -289.931 -24.3218 1.0221 -4.44069 -229.737 PRESSAVG: 1534600 44.8163 22.5531 -26.5312 22.5532 -38.6748 14.9889 -26.5312 14.9887 -33.4167 GPRESSAVG: 1534600 44.8312 23.6815 -27.4395 21.9286 -38.4816 13.6296 -26.0705 15.327 -33.2666 TIMING: 1534600 CPU: 4564.23, 0.00295643/step Wall: 4564.23, 0.00295643/step, 2.8459 hours remaining, 205.632812 MB of memory in use. ENERGY: 1534600 748.4772 2106.6459 1939.2777 107.1336 -206096.2434 17471.2686 0.0000 0.0000 33927.0094 -149796.4309 296.2930 -183723.4403 -149703.3756 297.4122 -213.6242 -179.9383 558111.0021 -9.0917 -8.9723 PRESSURE: 1534800 -9.97399 37.8703 41.8722 37.8712 -119.602 -66.4856 41.8715 -66.4843 -169.806 GPRESSURE: 1534800 10.2182 145.523 63.9891 -23.5473 -11.9534 -73.3803 -10.3895 -0.111213 -183.974 PRESSAVG: 1534800 11.6669 20.7917 -10.611 20.7917 19.4859 -12.163 -10.6111 -12.1631 -6.11239 GPRESSAVG: 1534800 11.9645 21.9446 -9.34004 21.0365 19.6223 -12.8041 -10.9924 -12.5342 -6.26704 TIMING: 1534800 CPU: 4564.82, 0.0029434/step Wall: 4564.82, 0.0029434/step, 2.83319 hours remaining, 205.632812 MB of memory in use. ENERGY: 1534800 764.9740 2047.0130 1926.8776 100.4329 -206470.3637 17826.5750 0.0000 0.0000 34103.2166 -149701.2747 297.8319 -183804.4912 -149611.1506 297.3400 -99.7939 -61.9032 557135.1134 8.3468 8.4399 PRESSURE: 1535000 -123.388 -270.976 -2.82198 -270.974 156.015 50.6936 -2.82213 50.6947 -80.1138 GPRESSURE: 1535000 -103.385 -324.636 21.2152 -208.824 208.487 3.83404 -16.7423 3.7611 -48.1457 PRESSAVG: 1535000 -24.5571 15.8792 21.5281 15.8792 16.5222 -17.3587 21.5281 -17.3588 -34.975 GPRESSAVG: 1535000 -24.1387 15.1622 19.9978 18.4541 16.9824 -17.3441 23.9932 -16.1463 -35.7748 TIMING: 1535000 CPU: 4565.42, 0.00297277/step Wall: 4565.42, 0.00297277/step, 2.86129 hours remaining, 205.632812 MB of memory in use. ENERGY: 1535000 743.3540 2049.0477 1934.7757 118.2016 -206322.3891 17799.1340 0.0000 0.0000 34049.9022 -149627.9741 297.3663 -183677.8762 -149539.2560 297.5743 -15.8290 18.9854 557334.4424 -14.3367 -14.3104 PRESSURE: 1535200 167.318 -75.1557 15.3774 -75.1552 92.1913 23.4772 15.3767 23.4786 -125.189 GPRESSURE: 1535200 188.819 -131.757 21.5181 4.68534 115.147 33.6625 5.828 -48.8031 -71.9668 PRESSAVG: 1535200 -80.3745 13.524 -3.58631 13.524 49.5497 40.976 -3.58634 40.976 24.6642 GPRESSAVG: 1535200 -80.3903 13.316 -3.8561 10.9115 49.6095 41.624 -6.21858 40.9877 24.5218 TIMING: 1535200 CPU: 4566.02, 0.00299349/step Wall: 4566.02, 0.00299349/step, 2.88106 hours remaining, 205.632812 MB of memory in use. ENERGY: 1535200 743.9746 2036.4391 1972.5874 109.8415 -206764.8352 18072.2462 0.0000 0.0000 34121.6991 -149708.0472 297.9933 -183829.7463 -149609.1521 298.2160 44.7736 77.3331 555996.5159 -2.0535 -2.0863 PRESSURE: 1535400 194.56 -63.8447 77.8767 -63.8454 312.042 -38.1155 77.8764 -38.1135 164.111 GPRESSURE: 1535400 318.83 -68.6345 68.2941 -22.703 283.24 -22.2693 134.492 -117.312 160.514 PRESSAVG: 1535400 0.357868 -12.6361 -9.54333 -12.636 16.1741 -37.3605 -9.54328 -37.3604 -6.77453 GPRESSAVG: 1535400 1.36566 -11.6138 -10.2292 -11.1699 14.7338 -37.279 -6.73599 -38.0061 -6.25696 TIMING: 1535400 CPU: 4566.61, 0.00296455/step Wall: 4566.61, 0.00296455/step, 2.85305 hours remaining, 205.632812 MB of memory in use. ENERGY: 1535400 738.3978 2030.2140 1935.7428 109.2384 -206840.0235 18191.7637 0.0000 0.0000 34064.5485 -149770.1184 297.4942 -183834.6668 -149679.4268 297.8256 223.5709 254.1946 557215.4312 3.2525 3.2808 PRESSURE: 1535600 119.487 -13.3714 -48.1244 -13.3724 131.404 -78.5053 -48.1231 -78.5036 146.355 GPRESSURE: 1535600 159.004 -48.9617 -62.3717 7.28601 202.424 -51.6428 -71.3746 -78.3377 133.606 PRESSAVG: 1535600 -38.3732 -85.3456 36.8244 -85.3455 3.93785 9.71156 36.8244 9.7115 -15.9177 GPRESSAVG: 1535600 -39.7382 -87.0736 37.3254 -86.2467 5.49222 8.21713 36.289 11.1053 -16.692 TIMING: 1535600 CPU: 4567.21, 0.00298172/step Wall: 4567.21, 0.00298172/step, 2.86941 hours remaining, 205.632812 MB of memory in use. ENERGY: 1535600 763.6931 2078.6147 1931.8902 110.0181 -206535.6069 18031.1544 0.0000 0.0000 34067.3379 -149552.8985 297.5185 -183620.2364 -149458.0498 298.0055 132.4150 165.0115 555701.0474 -16.7843 -16.9793 PRESSURE: 1535800 -86.474 185.569 -26.5623 185.567 78.8157 21.2327 -26.5642 21.2331 44.6302 GPRESSURE: 1535800 -60.9062 263.328 44.3077 235.436 52.6286 20.2081 25.5569 70.1203 140.562 PRESSAVG: 1535800 57.1691 -10.723 -9.59369 -10.723 -26.1247 43.7662 -9.59364 43.7662 -52.9429 GPRESSAVG: 1535800 56.5913 -8.19603 -8.39309 -11.5247 -27.1817 44.6611 -11.1961 42.6213 -51.4809 TIMING: 1535800 CPU: 4567.8, 0.00298766/step Wall: 4567.8, 0.00298766/step, 2.87496 hours remaining, 205.632812 MB of memory in use. ENERGY: 1535800 767.8796 2077.3366 1954.6604 125.6011 -206950.6353 18003.5729 0.0000 0.0000 34403.5883 -149617.9965 300.4551 -184021.5847 -149519.8350 298.5331 12.3240 44.0947 556689.9614 -7.2995 -7.3571 PRESSURE: 1536000 -54.3622 52.7371 -145.404 52.7365 -106.343 19.1002 -145.404 19.0994 -105.896 GPRESSURE: 1536000 -5.39759 82.2944 -122.702 124.456 -127.659 52.0666 -190.369 -45.0768 -35.8306 PRESSAVG: 1536000 6.36287 -12.9627 53.8225 -12.9627 -37.0718 -20.8468 53.8225 -20.8468 11.848 GPRESSAVG: 1536000 5.56867 -13.2458 51.3457 -13.4558 -36.1833 -18.7103 57.5286 -20.9411 11.7757 TIMING: 1536000 CPU: 4568.4, 0.00299361/step Wall: 4568.4, 0.00299361/step, 2.88052 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: 1536000 757.2436 2133.2740 1925.9970 114.2748 -206565.6345 17774.2206 0.0000 0.0000 34318.8636 -149541.7609 299.7152 -183860.6245 -149446.0038 298.5873 -88.8671 -56.2956 556782.5565 -6.2870 -6.2796 PRESSURE: 1536200 -234.899 -29.7846 76.0567 -29.7859 -29.2744 -0.371307 76.056 -0.372393 -183.505 GPRESSURE: 1536200 -174.52 -96.9161 80.6705 129.886 -62.5312 -62.7013 114.853 78.6306 -117.772 PRESSAVG: 1536200 31.2375 -38.0738 33.6194 -38.0738 -1.60872 24.8639 33.6194 24.8637 1.42283 GPRESSAVG: 1536200 31.5919 -39.25 35.6608 -35.4324 -2.79064 23.3131 30.6141 25.7599 1.90942 TIMING: 1536200 CPU: 4569, 0.00297243/step Wall: 4569, 0.00297243/step, 2.85997 hours remaining, 205.632812 MB of memory in use. ENERGY: 1536200 723.6883 2128.8427 1911.2113 99.8337 -205835.9568 17528.1435 0.0000 0.0000 34056.4813 -149387.7559 297.4237 -183444.2373 -149297.4844 298.8087 -149.2260 -118.2742 557751.6155 10.3505 10.2369 LDB: ============= START OF LOAD BALANCING ============== 4572.42 LDB: ============== END OF LOAD BALANCING =============== 4572.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4572.42 LDB: ============= START OF LOAD BALANCING ============== 4572.72 LDB: Largest compute 4847 load 0.026182 is 22.2% of average load 0.118054 LDB: Average compute 0.001723 is 1.5% of average load 0.118054 LDB: TIME 4572.72 LOAD: AVG 0.118054 MAX 0.20088 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 4572.72 LOAD: AVG 0.118054 MAX 0.20088 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 4572.72 LOAD: AVG 0.118054 MAX 0.20088 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4572.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4572.73 PRESSURE: 1536400 -134.951 5.79967 -19.4464 5.79889 145.632 -4.68023 -19.4476 -4.68201 8.9529 GPRESSURE: 1536400 -141.356 64.112 -83.9192 -18.2922 192.439 82.9286 111.845 -59.8023 72.5796 PRESSAVG: 1536400 18.8054 34.7328 4.09011 34.7329 1.51935 -6.19502 4.09006 -6.19508 -42.5212 GPRESSAVG: 1536400 19.0349 32.8933 2.93631 34.2661 2.18939 -7.4036 5.84761 -6.64225 -43.5164 TIMING: 1536400 CPU: 4569.6, 0.00302846/step Wall: 4569.6, 0.00302846/step, 2.91371 hours remaining, 205.429688 MB of memory in use. ENERGY: 1536400 723.3553 2085.9650 1926.6831 129.0071 -206554.1082 18052.7216 0.0000 0.0000 34302.3562 -149334.0201 299.5710 -183636.3762 -149240.0056 299.3908 6.5446 41.2210 557811.6782 -7.3988 -7.4307 PRESSURE: 1536600 -384.555 73.6625 -30.4724 73.6623 -120.69 -33.9623 -30.4729 -33.9625 -40.1875 GPRESSURE: 1536600 -313.909 -4.54151 -72.8316 47.9327 -106.282 -54.3548 -70.4367 91.9866 -28.5946 PRESSAVG: 1536600 -39.7002 28.1595 -7.05983 28.1595 29.8063 31.8178 -7.05986 31.8178 15.4028 GPRESSAVG: 1536600 -39.3144 29.8796 -6.97372 26.4826 29.314 33.0206 -7.9978 30.9278 15.1955 TIMING: 1536600 CPU: 4570.19, 0.00296264/step Wall: 4570.19, 0.00296264/step, 2.85022 hours remaining, 205.628906 MB of memory in use. ENERGY: 1536600 761.0658 2051.1492 1942.2709 119.9769 -205770.8287 17548.4560 0.0000 0.0000 34257.3733 -149090.5365 299.1782 -183347.9098 -148999.9260 299.4368 -181.8108 -149.5950 558356.0751 1.8363 1.7317 PRESSURE: 1536800 -86.5165 56.0126 67.3424 56.013 -48.0892 -56.7376 67.3429 -56.7382 -44.2016 GPRESSURE: 1536800 -27.9619 91.8105 70.428 58.7653 1.18823 -36.1448 52.6527 -132.55 -58.0247 PRESSAVG: 1536800 -19.1267 18.9965 -33.2248 18.9964 40.3158 -10.7617 -33.2248 -10.7619 -12.2644 GPRESSAVG: 1536800 -19.4409 19.4687 -30.2209 20.0565 40.9117 -10.4766 -33.6141 -10.7195 -12.3035 TIMING: 1536800 CPU: 4570.79, 0.00296668/step Wall: 4570.79, 0.00296668/step, 2.85394 hours remaining, 205.628906 MB of memory in use. ENERGY: 1536800 745.7079 2121.9546 1948.6035 104.5568 -206063.2082 17667.0497 0.0000 0.0000 34359.2725 -149116.0632 300.0681 -183475.3357 -149017.4105 299.5018 -59.6024 -28.2661 557364.4438 2.9749 3.0558 PRESSURE: 1537000 1.80654 -25.8148 -30.5986 -25.815 117.864 -172.008 -30.5985 -172.009 67.9481 GPRESSURE: 1537000 47.4491 -84.759 -70.4742 78.0562 179.31 -203.66 -30.3096 -181.062 68.0282 PRESSAVG: 1537000 -8.07599 -29.5378 -27.6959 -29.5377 -1.65933 0.459862 -27.6959 0.459797 20.3682 GPRESSAVG: 1537000 -7.71929 -30.0428 -28.6705 -28.2721 -1.05726 -1.83917 -28.2894 3.25024 19.6691 TIMING: 1537000 CPU: 4571.38, 0.00296464/step Wall: 4571.38, 0.00296464/step, 2.85182 hours remaining, 205.628906 MB of memory in use. ENERGY: 1537000 765.4759 2044.7861 1964.3925 102.6405 -206587.4102 17911.3484 0.0000 0.0000 34681.7837 -149116.9831 302.8846 -183798.7668 -149018.4642 299.8308 62.5394 98.2625 558071.1429 3.5443 3.6309 PRESSURE: 1537200 -202.964 -81.5926 -18.2856 -81.5945 -97.4314 -139.796 -18.2857 -139.796 145.874 GPRESSURE: 1537200 -192.568 -78.5903 -9.40468 -120.365 -19.7386 -35.4644 64.2178 -201.099 156.627 PRESSAVG: 1537200 -21.8704 -34.413 -10.2145 -34.4131 43.8774 -28.8262 -10.2145 -28.8262 -3.43622 GPRESSAVG: 1537200 -21.8677 -31.9983 -8.70048 -36.2951 44.4623 -27.3274 -11.0672 -31.9896 -4.12569 TIMING: 1537200 CPU: 4571.98, 0.0029855/step Wall: 4571.98, 0.0029855/step, 2.87172 hours remaining, 205.628906 MB of memory in use. ENERGY: 1537200 762.1570 2102.2070 1959.5641 99.8334 -206372.4050 17881.3536 0.0000 0.0000 34552.2705 -149015.0194 301.7536 -183567.2899 -148914.2861 300.7299 -51.5071 -18.5596 557488.5306 6.1903 6.1563 PRESSURE: 1537400 -333.37 25.3758 101.063 25.3745 -2.93448 17.1267 101.062 17.1268 -381.347 GPRESSURE: 1537400 -256.806 -10.1414 153.242 -26.7566 0.141999 93.7918 150.141 85.5639 -366.881 PRESSAVG: 1537400 4.67711 -9.40532 -24.6601 -9.40537 -3.98104 -56.3 -24.6602 -56.3001 -7.49614 GPRESSAVG: 1537400 6.01549 -11.6144 -28.1495 -8.83054 -5.79964 -56.6716 -23.0482 -53.7685 -7.45663 TIMING: 1537400 CPU: 4572.57, 0.00295352/step Wall: 4572.57, 0.00295352/step, 2.84079 hours remaining, 205.628906 MB of memory in use. ENERGY: 1537400 797.1557 2092.6581 1956.4337 108.1339 -206002.0795 17551.3379 0.0000 0.0000 34303.9233 -149192.4369 299.5847 -183496.3602 -149093.1079 299.8611 -239.2172 -207.8485 558651.3986 -2.2667 -2.4136 PRESSURE: 1537600 -158.055 -105.989 1.3997 -105.991 -408.124 10.27 1.39995 10.2699 31.2405 GPRESSURE: 1537600 -117.019 -153.209 -56.205 -91.2551 -339.609 50.1589 9.08769 -117.456 22.2749 PRESSAVG: 1537600 13.1166 -16.7502 -26.3461 -16.7503 -15.0781 13.2342 -26.3461 13.2344 15.0114 GPRESSAVG: 1537600 10.9224 -16.5911 -24.6874 -16.2477 -14.0733 13.6448 -27.506 11.3989 16.8377 TIMING: 1537600 CPU: 4573.17, 0.00299234/step Wall: 4573.17, 0.00299234/step, 2.87796 hours remaining, 205.628906 MB of memory in use. ENERGY: 1537600 741.8339 2066.5537 1939.9977 106.4276 -206253.8445 17798.3178 0.0000 0.0000 34454.0508 -149146.6631 300.8958 -183600.7139 -149045.0893 299.4286 -178.3127 -144.7844 558476.1947 4.3500 4.5623 PRESSURE: 1537800 -203.643 10.1513 -102.075 10.1516 -107.806 156.483 -102.074 156.483 -48.577 GPRESSURE: 1537800 -147.446 135.873 -98.1714 -21.7798 -63.76 28.1252 -65.8508 168.29 -41.5925 PRESSAVG: 1537800 -28.8236 -44.3562 -26.5416 -44.3561 -30.2653 -24.975 -26.5416 -24.975 93.6404 GPRESSAVG: 1537800 -28.864 -45.5216 -27.2319 -43.4478 -30.1143 -26.6634 -26.3035 -23.6142 93.6703 TIMING: 1537800 CPU: 4573.76, 0.00297988/step Wall: 4573.76, 0.00297988/step, 2.86581 hours remaining, 205.628906 MB of memory in use. ENERGY: 1537800 760.4230 2133.9309 1953.8881 116.0650 -206133.3414 17662.2556 0.0000 0.0000 34472.8680 -149033.9108 301.0601 -183506.7788 -148930.6148 300.2198 -120.0087 -84.2663 557213.1874 11.5172 11.5640 PRESSURE: 1538000 -31.8948 117.684 -202.803 117.684 -36.6661 160.99 -202.802 160.992 -114.869 GPRESSURE: 1538000 14.3629 193.437 -171.283 -14.4663 -32.55 133.415 -106.458 148.474 -65.2298 PRESSAVG: 1538000 -52.681 2.23774 -33.9356 2.23774 -19.3365 11.2933 -33.9355 11.2933 51.7857 GPRESSAVG: 1538000 -50.5222 3.7965 -34.5884 1.00393 -19.7806 12.9341 -33.6572 11.2126 50.4402 TIMING: 1538000 CPU: 4574.35, 0.00295505/step Wall: 4574.35, 0.00295505/step, 2.84177 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: 1538000 763.4607 2079.5529 1974.0941 123.9639 -205907.6589 17628.1355 0.0000 0.0000 34170.7625 -149167.6894 298.4218 -183338.4519 -149069.7420 299.1258 -61.1432 -27.8056 557844.0773 -6.7439 -6.6209 PRESSURE: 1538200 113.177 9.21147 99.6242 9.21025 33.8433 -147.085 99.6242 -147.082 -61.1586 GPRESSURE: 1538200 145.659 -13.1872 21.2304 41.3252 43.0698 -219.007 58.8634 -84.3418 1.88538 PRESSAVG: 1538200 13.823 -0.337314 -6.07049 -0.337333 21.7742 -61.8838 -6.0705 -61.8837 -67.7263 GPRESSAVG: 1538200 12.1013 -0.111864 -6.69302 0.515963 23.1161 -64.3919 -5.84601 -60.7909 -66.9602 TIMING: 1538200 CPU: 4574.94, 0.00294617/step Wall: 4574.94, 0.00294617/step, 2.83307 hours remaining, 205.628906 MB of memory in use. ENERGY: 1538200 736.1016 2072.6052 1944.8877 128.6355 -206245.8577 17844.9237 0.0000 0.0000 34285.0307 -149233.6733 299.4197 -183518.7040 -149143.7081 299.1210 28.6205 63.5379 557544.2377 -10.7097 -10.5809 PRESSURE: 1538400 -509.099 43.9274 -120.939 43.9286 -220.525 -32.5585 -120.939 -32.558 -30.3264 GPRESSURE: 1538400 -433.65 19.0384 -109.756 53.8761 -184.863 -89.6597 -119.441 -3.86489 -45.9582 PRESSAVG: 1538400 27.1093 4.43732 -59.3221 4.43722 1.46756 -40.2504 -59.3221 -40.2503 11.1289 GPRESSAVG: 1538400 27.9973 3.33407 -58.3085 5.91506 0.272541 -38.8679 -58.5624 -39.4199 10.8956 TIMING: 1538400 CPU: 4575.54, 0.00298606/step Wall: 4575.54, 0.00298606/step, 2.87127 hours remaining, 205.628906 MB of memory in use. ENERGY: 1538400 726.7973 2075.1623 1950.7656 107.7055 -205764.3489 17496.5007 0.0000 0.0000 34323.4254 -149083.9922 299.7550 -183407.4176 -148985.2119 299.2836 -253.3166 -221.4906 559410.4959 13.2352 13.0551 PRESSURE: 1538600 83.9996 -221.686 -217.394 -221.686 -99.2622 -95.5557 -217.395 -95.555 32.7466 GPRESSURE: 1538600 90.5777 -196.215 -213.717 -141.559 -60.7515 -75.8183 -209.637 -55.623 98.4279 PRESSAVG: 1538600 -51.1428 -28.0917 1.58231 -28.0916 -5.09824 32.7398 1.58226 32.7398 28.2879 GPRESSAVG: 1538600 -52.4605 -27.7531 3.63431 -28.3779 -4.6674 32.3223 -0.0273129 30.0111 29.4345 TIMING: 1538600 CPU: 4576.14, 0.00300127/step Wall: 4576.14, 0.00300127/step, 2.88572 hours remaining, 205.628906 MB of memory in use. ENERGY: 1538600 730.4804 2107.9993 1941.8783 114.4157 -206422.7066 17928.3581 0.0000 0.0000 34528.6301 -149070.9446 301.5471 -183599.5748 -148974.4043 299.2189 5.8280 42.7514 556683.1938 -9.3177 -9.2312 PRESSURE: 1538800 -11.8811 12.0942 111.079 12.0944 -20.8636 -26.6435 111.079 -26.6429 166.832 GPRESSURE: 1538800 40.6574 56.0945 95.1251 50.5485 -32.8775 -23.009 54.4064 34.0131 212.484 PRESSAVG: 1538800 81.0474 -3.00157 -3.86183 -3.00161 -68.4083 -47.5799 -3.86178 -47.58 2.15635 GPRESSAVG: 1538800 82.2205 -3.75812 -4.78634 -3.49641 -67.8284 -46.3915 -1.41918 -47.2141 0.927509 TIMING: 1538800 CPU: 4576.74, 0.00301852/step Wall: 4576.74, 0.00301852/step, 2.90214 hours remaining, 205.628906 MB of memory in use. ENERGY: 1538800 727.4878 2029.9497 1985.3403 110.5931 -205896.1127 17813.2397 0.0000 0.0000 34308.1160 -148921.3861 299.6213 -183229.5021 -148819.9965 300.2470 44.6959 73.4214 557991.5880 4.9318 5.1065 PRESSURE: 1539000 -12.8146 119.929 63.5411 119.928 100.141 -31.485 63.542 -31.4835 -266.148 GPRESSURE: 1539000 -6.73133 175.433 -12.7065 61.9195 88.7769 -73.4398 79.1997 -59.7501 -171.09 PRESSAVG: 1539000 20.2133 30.5372 -3.5741 30.5371 7.49626 -0.395134 -3.57405 -0.395142 -48.902 GPRESSAVG: 1539000 19.9877 29.4053 -2.85555 30.7378 7.97284 -1.92284 -5.04793 -1.56044 -49.3388 TIMING: 1539000 CPU: 4577.35, 0.00301294/step Wall: 4577.35, 0.00301294/step, 2.8966 hours remaining, 205.628906 MB of memory in use. ENERGY: 1539000 772.2710 2094.7857 1950.2238 112.0637 -205740.9698 17596.5732 0.0000 0.0000 34180.6944 -149034.3579 298.5085 -183215.0523 -148935.5559 300.1180 -59.6073 -29.6815 557520.2614 -7.0642 -7.1261 PRESSURE: 1539200 32.0561 -18.9584 145.686 -18.9572 -39.6429 163.156 145.686 163.156 -79.1988 GPRESSURE: 1539200 93.6089 55.1995 108.853 -53.19 35.5687 96.5322 110.867 121.977 -110.019 PRESSAVG: 1539200 80.8193 7.37043 -3.23944 7.37045 -36.0859 0.0849839 -3.23941 0.0850165 -40.8996 GPRESSAVG: 1539200 81.2764 7.35573 -4.01416 6.52253 -37.7416 1.54695 -2.01618 -0.19452 -39.3554 TIMING: 1539200 CPU: 4577.94, 0.00297213/step Wall: 4577.94, 0.00297213/step, 2.85721 hours remaining, 205.628906 MB of memory in use. ENERGY: 1539200 768.8941 2067.6971 1971.7353 126.4216 -206079.9424 17889.9692 0.0000 0.0000 34335.9692 -148919.2559 299.8646 -183255.2251 -148823.8615 300.0194 -28.9285 6.3862 558793.9748 1.2779 1.3931 PRESSURE: 1539400 -53.2315 -47.3103 23.4988 -47.3099 -177.565 -138.846 23.4993 -138.845 121.106 GPRESSURE: 1539400 3.69889 -30.3714 0.667163 -81.1348 -124.294 -68.7804 0.00932861 -90.2987 118.598 PRESSAVG: 1539400 113.971 17.6485 -0.589515 17.6485 -70.9832 -53.3954 -0.589409 -53.3955 -24.649 GPRESSAVG: 1539400 113.811 19.0086 -1.10624 18.255 -69.9806 -53.6828 -1.74302 -51.3556 -25.6639 TIMING: 1539400 CPU: 4578.54, 0.00298352/step Wall: 4578.54, 0.00298352/step, 2.868 hours remaining, 205.628906 MB of memory in use. ENERGY: 1539400 747.8629 2106.9905 1936.4806 101.1974 -205968.6600 17727.9949 0.0000 0.0000 34334.6424 -149013.4913 299.8530 -183348.1337 -148915.6902 299.9262 -36.5635 -0.6655 559998.0694 6.1130 6.0557 PRESSURE: 1539600 -269.331 112.977 44.5918 112.978 -36.2924 17.785 44.5928 17.7862 130.319 GPRESSURE: 1539600 -243.105 77.6805 -12.2598 92.8651 38.4387 -28.6256 38.2318 -10.2945 131.553 PRESSAVG: 1539600 50.2087 24.1183 -29.3352 24.1182 -120.27 -56.5951 -29.3351 -56.5952 14.0622 GPRESSAVG: 1539600 50.1405 22.5179 -28.4491 24.9045 -120.92 -57.3505 -30.8243 -57.4839 14.9834 TIMING: 1539600 CPU: 4579.13, 0.00296097/step Wall: 4579.13, 0.00296097/step, 2.84615 hours remaining, 205.628906 MB of memory in use. ENERGY: 1539600 759.9583 2074.1807 1956.9464 121.5889 -205899.1040 17918.3347 0.0000 0.0000 34227.6103 -148840.4848 298.9182 -183068.0951 -148744.4830 300.2103 -58.4347 -24.3713 559963.2248 -18.6664 -18.5988 PRESSURE: 1539800 -60.5271 -70.5927 45.1423 -70.5931 -233.84 39.9127 45.1416 39.9109 22.5544 GPRESSURE: 1539800 15.2628 -21.8824 45.8606 -97.9017 -215.999 115.072 111.37 36.6374 28.5792 PRESSAVG: 1539800 -54.3576 -52.1936 6.12618 -52.1937 4.5289 -8.45656 6.12626 -8.45649 32.747 GPRESSAVG: 1539800 -53.8162 -51.5661 6.17327 -53.514 4.92591 -8.43132 6.44488 -7.2978 31.8463 TIMING: 1539800 CPU: 4579.72, 0.00296036/step Wall: 4579.72, 0.00296036/step, 2.8454 hours remaining, 205.628906 MB of memory in use. ENERGY: 1539800 737.3104 2119.2129 1940.4055 104.8481 -205939.6563 17765.5054 0.0000 0.0000 34224.3928 -149047.9811 298.8901 -183272.3740 -148949.9687 299.5677 -90.6041 -57.3856 558792.0208 -5.6939 -5.6813 PRESSURE: 1540000 -170.527 -67.5471 20.6102 -67.5463 -63.2232 -49.8049 20.6121 -49.8046 -156.23 GPRESSURE: 1540000 -149.105 -45.2808 2.04229 -29.3084 -51.2401 -112.411 108.447 -14.8524 -102.073 PRESSAVG: 1540000 -17.5924 5.52373 -16.7286 5.52381 -3.51012 -14.5488 -16.7286 -14.5489 20.9051 GPRESSAVG: 1540000 -17.7144 5.13227 -15.4228 5.6661 -2.97802 -12.046 -15.3429 -17.3298 20.8525 TIMING: 1540000 CPU: 4580.31, 0.00295777/step Wall: 4580.31, 0.00295777/step, 2.84274 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: 1540000 804.1005 2081.5395 1965.0655 107.0549 -206303.9533 17843.0050 0.0000 0.0000 34418.6601 -149084.5278 300.5867 -183503.1879 -148984.0276 299.7839 -129.9934 -100.8059 558379.1175 -0.0658 0.0534 PRESSURE: 1540200 297.808 -18.6051 -16.399 -18.6056 184.88 55.6337 -16.3981 55.6331 206.022 GPRESSURE: 1540200 351.228 -26.356 5.17358 -5.11427 207.188 83.3919 -20.247 13.0522 225.797 PRESSAVG: 1540200 -19.5888 -31.2975 27.8421 -31.2974 -17.8391 -40.7183 27.842 -40.7184 8.00737 GPRESSAVG: 1540200 -20.353 -30.5515 26.2078 -30.5274 -17.4048 -42.6863 29.1079 -40.3593 8.92101 TIMING: 1540200 CPU: 4580.91, 0.00297061/step Wall: 4580.91, 0.00297061/step, 2.85492 hours remaining, 205.628906 MB of memory in use. ENERGY: 1540200 722.6800 2120.0106 1940.4498 107.7860 -206456.7664 17989.2196 0.0000 0.0000 34577.1150 -148999.5055 301.9705 -183576.6204 -148909.8423 299.9444 229.5701 261.4048 556474.5778 -9.8068 -9.6123 LDB: ============= START OF LOAD BALANCING ============== 4584.34 LDB: ============== END OF LOAD BALANCING =============== 4584.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4584.34 LDB: ============= START OF LOAD BALANCING ============== 4584.64 LDB: Largest compute 4847 load 0.024257 is 20.5% of average load 0.118070 LDB: Average compute 0.001721 is 1.5% of average load 0.118070 LDB: TIME 4584.64 LOAD: AVG 0.11807 MAX 0.200253 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 4584.64 LOAD: AVG 0.11807 MAX 0.200253 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 4584.64 LOAD: AVG 0.11807 MAX 0.200253 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4584.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4584.64 PRESSURE: 1540400 35.0593 115.152 123.472 115.152 86.6325 -64.4292 123.472 -64.4282 -40.5157 GPRESSURE: 1540400 76.3506 119.642 176.939 153.709 141.294 -16.1422 103.837 -62.7151 -36.6131 PRESSAVG: 1540400 -18.7992 32.1188 29.6785 32.1187 -22.3841 -54.465 29.6785 -54.465 9.3235 GPRESSAVG: 1540400 -18.9739 33.0865 31.1598 32.4927 -22.0244 -54.7824 29.2067 -53.4485 9.12229 TIMING: 1540400 CPU: 4581.51, 0.00303376/step Wall: 4581.51, 0.00303376/step, 2.91544 hours remaining, 205.941406 MB of memory in use. ENERGY: 1540400 746.8169 2083.9354 1931.4313 112.4182 -206232.8879 17966.6597 0.0000 0.0000 34290.1795 -149101.4469 299.4647 -183391.6264 -149004.3919 299.8116 27.0587 60.3439 558111.4650 -10.6199 -10.6253 PRESSURE: 1540600 -91.6023 102.713 57.1824 102.712 -223.62 33.9917 57.1819 33.9914 -63.4084 GPRESSURE: 1540600 -5.58771 156.787 26.0962 87.1255 -184.037 -8.52914 128.106 39.4408 -85.8486 PRESSAVG: 1540600 -32.884 2.82819 -16.4795 2.82816 -15.4493 -30.7346 -16.4796 -30.7345 38.3296 GPRESSAVG: 1540600 -32.3919 2.56158 -18.9067 0.416914 -16.503 -29.7597 -14.9759 -30.8774 38.8953 TIMING: 1540600 CPU: 4582.12, 0.00300392/step Wall: 4582.12, 0.00300392/step, 2.8866 hours remaining, 205.941406 MB of memory in use. ENERGY: 1540600 779.4091 2037.1620 1925.6252 122.3404 -205948.9560 17641.7758 0.0000 0.0000 34339.3509 -149103.2927 299.8941 -183442.6436 -149009.1539 299.4582 -126.2102 -91.8243 558163.3737 -3.3346 -3.3332 PRESSURE: 1540800 85.7442 -127.602 -27.7741 -127.601 173.023 -15.5972 -27.7733 -15.5983 176.436 GPRESSURE: 1540800 121.353 -114.829 0.625355 -122.559 249.045 27.6273 -42.1133 -61.1478 167.251 PRESSAVG: 1540800 -29.5312 -23.1724 -5.02453 -23.1724 -24.6525 -34.4517 -5.02456 -34.4518 71.4221 GPRESSAVG: 1540800 -29.7961 -25.2987 -4.35691 -19.9265 -24.1801 -34.8403 -4.54121 -33.5926 71.0492 TIMING: 1540800 CPU: 4582.71, 0.00299496/step Wall: 4582.71, 0.00299496/step, 2.87783 hours remaining, 205.941406 MB of memory in use. ENERGY: 1540800 749.3474 2016.7967 1963.7109 113.9715 -206001.0981 17876.0231 0.0000 0.0000 34260.7213 -149020.5270 299.2074 -183281.2483 -148921.3050 298.3602 145.0677 179.2164 558315.8071 5.7461 5.6910 PRESSURE: 1541000 -177.177 5.04267 -68.6101 5.0418 -365.269 -44.8763 -68.6097 -44.8768 209.837 GPRESSURE: 1541000 -116.545 44.0803 -64.0186 14.3282 -333.726 23.3099 -54.2214 -85.2223 211.867 PRESSAVG: 1541000 -134.095 -9.00499 15.1026 -9.00507 60.291 -15.1367 15.1027 -15.1367 69.8839 GPRESSAVG: 1541000 -133.547 -6.24958 14.2652 -12.3923 59.8485 -14.4684 14.1243 -17.4507 70.5926 TIMING: 1541000 CPU: 4583.32, 0.00300677/step Wall: 4583.32, 0.00300677/step, 2.88901 hours remaining, 205.941406 MB of memory in use. ENERGY: 1541000 755.5034 2099.3444 1951.3509 112.8144 -206023.6278 17854.5604 0.0000 0.0000 34297.4710 -148952.5833 299.5283 -183250.0544 -148865.1726 299.3838 -110.8697 -79.4677 558861.0136 -1.3068 -1.0353 PRESSURE: 1541200 119.362 -169.787 -270.523 -169.786 255.291 -16.4822 -270.525 -16.4827 -135.061 GPRESSURE: 1541200 83.4364 -171.647 -291.521 -177.537 300.761 5.65998 -247.045 60.2186 -68.3407 PRESSAVG: 1541200 -73.6411 -59.6146 -51.7536 -59.6145 -24.0429 -2.68885 -51.7536 -2.6888 67.1137 GPRESSAVG: 1541200 -72.8534 -58.0045 -51.8972 -58.4756 -23.6974 -4.9206 -52.3892 1.22695 66.2952 TIMING: 1541200 CPU: 4583.91, 0.00298318/step Wall: 4583.91, 0.00298318/step, 2.86617 hours remaining, 205.941406 MB of memory in use. ENERGY: 1541200 733.0811 2075.6613 1935.2050 109.9850 -206154.5694 17904.2231 0.0000 0.0000 34380.3441 -149016.0698 300.2521 -183396.4140 -148917.4685 300.1441 79.8642 105.2857 557385.6539 -10.1901 -10.0852 PRESSURE: 1541400 10.8985 -68.0426 303.5 -68.043 -115.203 -29.3717 303.499 -29.3717 -134.005 GPRESSURE: 1541400 63.753 -90.5357 255.109 -72.7552 -100.86 -9.49358 352.93 -72.3922 -99.074 PRESSAVG: 1541400 -25.028 -2.88113 -32.2009 -2.88119 54.1741 1.53603 -32.201 1.53614 17.9466 GPRESSAVG: 1541400 -26.2238 -3.6089 -32.5904 -3.02811 54.2533 1.20116 -32.8254 -0.285403 18.6905 TIMING: 1541400 CPU: 4584.51, 0.00297721/step Wall: 4584.51, 0.00297721/step, 2.86027 hours remaining, 205.941406 MB of memory in use. ENERGY: 1541400 756.2858 2048.8476 1947.5893 110.2779 -206041.0950 17750.4430 0.0000 0.0000 34422.6011 -149005.0503 300.6211 -183427.6515 -148902.0815 299.6827 -79.4363 -45.3936 557348.5208 15.6975 15.5733 PRESSURE: 1541600 -135.565 109.526 81.4404 109.527 -158.379 -54.8765 81.4409 -54.8774 66.7785 GPRESSURE: 1541600 -164.134 52.3805 141.922 77.3689 -47.7635 -6.40733 73.3604 -112.58 93.6242 PRESSAVG: 1541600 -17.6013 3.8285 -62.3371 3.82844 30.9099 -23.0556 -62.337 -23.0557 -13.1228 GPRESSAVG: 1541600 -17.4307 4.12091 -61.2449 4.48755 31.2279 -21.0781 -61.973 -24.465 -13.5289 TIMING: 1541600 CPU: 4585.1, 0.0029786/step Wall: 4585.1, 0.0029786/step, 2.86145 hours remaining, 205.941406 MB of memory in use. ENERGY: 1541600 717.2095 2124.3459 1945.8462 117.5643 -205949.3416 17479.2684 0.0000 0.0000 34475.7042 -149089.4031 301.0849 -183565.1073 -148996.2501 300.1571 -75.7218 -39.4244 555940.4498 0.0619 0.0895 PRESSURE: 1541800 -394.432 -7.11029 57.8679 -7.11198 -212.349 -4.74441 57.866 -4.7448 -32.6808 GPRESSURE: 1541800 -352.6 -81.8393 7.28138 8.53589 -167.129 -10.868 13.6521 -23.9188 -7.25214 PRESSAVG: 1541800 -3.88724 -7.89884 9.15717 -7.89886 -3.29966 -36.2571 9.15718 -36.2572 4.83778 GPRESSAVG: 1541800 -4.24739 -8.918 7.61698 -9.43209 -3.84218 -35.804 9.40987 -35.6828 5.81797 TIMING: 1541800 CPU: 4585.7, 0.00297383/step Wall: 4585.7, 0.00297383/step, 2.85669 hours remaining, 205.941406 MB of memory in use. ENERGY: 1541800 712.3161 2067.3895 1944.5368 111.8971 -205630.8930 17457.0237 0.0000 0.0000 34446.0970 -148891.6328 300.8263 -183337.7297 -148789.9835 299.9630 -213.1540 -175.6606 556559.5413 -0.7830 -0.7572 PRESSURE: 1542000 79.8655 -110.231 -33.54 -110.231 377.979 -171.951 -33.5383 -171.951 64.03 GPRESSURE: 1542000 103.724 -126.033 -16.9114 -91.251 417.781 -113.959 -17.1005 -181.201 98.2326 PRESSAVG: 1542000 32.1747 -6.8078 -21.0787 -6.80778 7.83399 73.4823 -21.0788 73.4823 -27.9592 GPRESSAVG: 1542000 32.0905 -5.21673 -19.4223 -4.34687 7.64913 72.9921 -19.9652 73.4457 -28.2796 TIMING: 1542000 CPU: 4586.3, 0.00298765/step Wall: 4586.3, 0.00298765/step, 2.8698 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: 1542000 733.5051 2089.4087 1934.7406 104.1509 -206201.4998 18018.3739 0.0000 0.0000 34375.0599 -148946.2607 300.2059 -183321.3206 -148850.5078 300.4386 173.9581 206.5792 556281.8430 4.0165 3.8200 PRESSURE: 1542200 160.182 -16.6229 -104.079 -16.6227 97.1698 118.098 -104.079 118.099 172.16 GPRESSURE: 1542200 179.618 9.61226 -130.963 -73.0125 154.765 238.091 -174.732 69.4113 202.512 PRESSAVG: 1542200 23.0569 34.8806 23.3927 34.8806 1.10855 23.262 23.3928 23.2619 3.4438 GPRESSAVG: 1542200 24.0632 32.626 24.0149 33.3144 0.439242 24.7895 19.9286 23.3114 2.73948 TIMING: 1542200 CPU: 4586.9, 0.00301929/step Wall: 4586.9, 0.00301929/step, 2.90003 hours remaining, 205.941406 MB of memory in use. ENERGY: 1542200 719.7462 2070.9046 1940.4494 127.3887 -205989.8596 17851.9417 0.0000 0.0000 34439.3326 -148840.0964 300.7673 -183279.4290 -148745.1954 300.5180 143.1706 178.9650 556762.1881 9.2031 9.0806 PRESSURE: 1542400 79.3168 134.683 118.601 134.683 109.939 103.841 118.601 103.839 16.019 GPRESSURE: 1542400 123.742 130.469 82.5167 127.176 111.923 133.728 127.11 67.8894 61.0351 PRESSAVG: 1542400 -41.0662 21.0358 41.3154 21.0357 19.9774 -18.2175 41.3153 -18.2174 25.1941 GPRESSAVG: 1542400 -42.0023 19.4995 41.5148 23.016 20.5113 -20.4023 42.6811 -16.2193 25.6004 TIMING: 1542400 CPU: 4587.5, 0.00299993/step Wall: 4587.5, 0.00299993/step, 2.88127 hours remaining, 205.941406 MB of memory in use. ENERGY: 1542400 748.1718 2136.3442 1934.7458 121.0760 -206047.5337 17903.6771 0.0000 0.0000 34218.6068 -148984.9119 298.8396 -183203.5188 -148901.9518 299.7018 68.4250 98.9000 558081.4242 1.3684 1.3698 PRESSURE: 1542600 -131.721 28.8621 -15.5849 28.8614 11.0359 173.803 -15.5851 173.803 107.985 GPRESSURE: 1542600 -102.659 17.2982 -101.507 24.4136 60.6302 194.71 58.2912 155.215 127.335 PRESSAVG: 1542600 -43.2595 30.6667 9.43988 30.6666 24.1514 -40.8795 9.43983 -40.8796 1.68741 GPRESSAVG: 1542600 -43.3913 31.8032 10.6559 29.3817 24.6145 -41.1669 8.53048 -42.0113 1.83499 TIMING: 1542600 CPU: 4588.1, 0.00300926/step Wall: 4588.1, 0.00300926/step, 2.89006 hours remaining, 205.941406 MB of memory in use. ENERGY: 1542600 777.8700 2121.8886 1915.5855 109.6772 -206080.9604 17848.8755 0.0000 0.0000 34318.4823 -148988.5813 299.7118 -183307.0636 -148893.6464 299.5614 -4.2333 28.4354 556949.5914 -5.8069 -5.6473 PRESSURE: 1542800 11.8944 -90.2451 30.8555 -90.2457 164.702 69.0539 30.8559 69.0528 65.1521 GPRESSURE: 1542800 45.8425 -184.018 84.7515 -93.5733 215.692 69.4152 34.7033 32.4425 89.2676 PRESSAVG: 1542800 29.7087 -20.5352 -0.811735 -20.535 -8.26615 11.534 -0.81176 11.534 25.8651 GPRESSAVG: 1542800 29.056 -20.2528 -2.03512 -20.1837 -9.53936 12.3562 -0.104235 12.1158 27.4475 TIMING: 1542800 CPU: 4588.7, 0.00298763/step Wall: 4588.7, 0.00298763/step, 2.86912 hours remaining, 205.941406 MB of memory in use. ENERGY: 1542800 729.4750 2116.7257 1921.9981 113.7124 -205984.4375 17778.1117 0.0000 0.0000 34273.5287 -149050.8858 299.3193 -183324.4145 -148952.6431 299.6215 80.5827 116.9341 556626.2010 15.7692 15.6547 PRESSURE: 1543000 174.762 28.3108 -11.23 28.3094 163.458 96.1548 -11.2291 96.155 -123.877 GPRESSURE: 1543000 171.086 -10.3157 8.74803 27.5109 210.868 138.707 -19.7589 123.289 -70.4671 PRESSAVG: 1543000 21.9047 34.5078 2.36615 34.5077 -94.2072 -12.1449 2.36613 -12.1448 50.192 GPRESSAVG: 1543000 21.9425 34.9587 0.629408 32.6276 -92.1977 -13.3472 4.44386 -14.3491 48.0406 TIMING: 1543000 CPU: 4589.29, 0.00297391/step Wall: 4589.29, 0.00297391/step, 2.85578 hours remaining, 205.941406 MB of memory in use. ENERGY: 1543000 775.0556 2113.2977 1927.4651 119.6786 -206211.5069 17881.8600 0.0000 0.0000 34461.1159 -148933.0341 300.9575 -183394.1499 -148836.7808 300.1276 71.4476 103.8288 556504.7528 -7.3701 -7.4049 PRESSURE: 1543200 -25.4962 -143.16 -51.6376 -143.16 0.0305401 -171.03 -51.6383 -171.029 256.733 GPRESSURE: 1543200 -5.18269 -137.313 -2.7517 -47.0832 47.7654 -169.509 18.75 -163.166 293.904 PRESSAVG: 1543200 -8.67649 -7.11709 -20.6757 -7.11704 -3.8016 -7.71999 -20.6756 -7.72003 61.7117 GPRESSAVG: 1543200 -7.84504 -6.39535 -18.888 -5.65962 -5.15172 -5.58297 -22.1671 -6.33872 62.3328 TIMING: 1543200 CPU: 4589.89, 0.00299816/step Wall: 4589.89, 0.00299816/step, 2.8789 hours remaining, 205.941406 MB of memory in use. ENERGY: 1543200 763.1286 2080.9981 1943.2258 112.8803 -206199.8470 17878.7199 0.0000 0.0000 34661.1866 -148759.7078 302.7048 -183420.8944 -148661.9912 300.6538 77.0890 112.1624 556904.1322 16.4112 16.4454 PRESSURE: 1543400 -31.953 -87.4464 30.2118 -87.4465 -266.147 -41.6408 30.2114 -41.6409 92.1476 GPRESSURE: 1543400 3.68344 -89.2502 31.9169 -68.0328 -239.635 -74.6909 99.8649 -20.0799 124.338 PRESSAVG: 1543400 53.933 -13.8004 -8.71687 -13.8005 -56.5737 -33.4634 -8.71679 -33.4634 1.09934 GPRESSAVG: 1543400 53.0676 -14.3692 -10.2828 -14.8211 -55.5424 -35.9864 -6.67623 -31.6786 -0.323284 TIMING: 1543400 CPU: 4590.49, 0.00296368/step Wall: 4590.49, 0.00296368/step, 2.84562 hours remaining, 205.941406 MB of memory in use. ENERGY: 1543400 780.7276 2067.8132 1945.5034 107.9841 -205811.4078 17750.7919 0.0000 0.0000 34393.4383 -148765.1492 300.3665 -183158.5876 -148667.1114 300.7330 -68.6508 -37.2044 557072.7830 -0.5138 -0.9327 PRESSURE: 1543600 147 154.585 -90.9869 154.585 24.5766 -74.1796 -90.9864 -74.1801 -13.4732 GPRESSURE: 1543600 162.207 124.455 -75.9509 138.872 63.4269 -65.7977 -169.925 -55.58 45.0063 PRESSAVG: 1543600 -59.3624 57.0713 -11.7644 57.0713 38.0889 10.3103 -11.7643 10.3104 -3.29777 GPRESSAVG: 1543600 -59.0169 56.3845 -12.097 58.0761 37.755 11.4949 -12.8459 9.16056 -3.90046 TIMING: 1543600 CPU: 4591.08, 0.00296733/step Wall: 4591.08, 0.00296733/step, 2.84896 hours remaining, 205.941406 MB of memory in use. ENERGY: 1543600 735.3118 2062.6630 1951.0232 112.8331 -205719.8577 17724.3376 0.0000 0.0000 34299.3171 -148834.3718 299.5445 -183133.6890 -148738.9257 300.5758 52.7012 90.2135 556804.8939 -8.1904 -8.3874 PRESSURE: 1543800 -57.2966 -152.915 -23.7909 -152.915 23.5697 -49.5576 -23.7904 -49.5569 -12.4359 GPRESSURE: 1543800 -8.48031 -211.413 -12.9462 -80.6399 58.255 -29.3445 -29.8796 19.5803 -1.46362 PRESSAVG: 1543800 24.7509 47.5871 16.6869 47.5871 24.3523 -34.9223 16.687 -34.9223 -20.7706 GPRESSAVG: 1543800 24.0377 48.0354 18.5381 47.9396 23.437 -35.4847 16.4294 -34.4069 -19.3981 TIMING: 1543800 CPU: 4591.67, 0.00296227/step Wall: 4591.67, 0.00296227/step, 2.84394 hours remaining, 205.941406 MB of memory in use. ENERGY: 1543800 740.7869 2059.4742 1954.4310 100.1801 -205620.6993 17671.8021 0.0000 0.0000 34336.5211 -148757.5039 299.8694 -183094.0250 -148672.6223 300.8524 -15.3876 16.1037 557879.5831 9.4442 9.3589 PRESSURE: 1544000 -33.1547 -118.97 -39.49 -118.97 -93.1646 10.9339 -39.4897 10.9333 135.14 GPRESSURE: 1544000 0.312189 -65.821 -34.7302 -186.493 -110.646 86.0706 -5.59772 64.3073 208.94 PRESSAVG: 1544000 2.38256 -69.8686 -42.1807 -69.8687 -47.974 20.8888 -42.1807 20.8887 23.3898 GPRESSAVG: 1544000 2.0484 -68.4243 -41.6461 -70.9714 -46.5576 20.4361 -41.0672 20.6715 22.867 TIMING: 1544000 CPU: 4592.27, 0.00297868/step Wall: 4592.27, 0.00297868/step, 2.85953 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: 1544000 739.4941 2090.2325 1948.2695 112.3035 -205599.3304 17605.3363 0.0000 0.0000 34406.2504 -148697.4441 300.4783 -183103.6945 -148600.7957 300.4578 2.9402 32.8687 556299.9512 -7.4005 -7.2141 PRESSURE: 1544200 252.615 33.4144 65.1215 33.4134 352.293 41.315 65.1213 41.3143 91.1533 GPRESSURE: 1544200 252.522 66.7905 68.0207 -70.6471 410.094 86.9555 95.7839 14.7902 130.504 PRESSAVG: 1544200 32.3177 -52.7718 63.9129 -52.7717 -16.4373 -8.65971 63.9131 -8.65977 42.5835 GPRESSAVG: 1544200 33.4631 -53.3524 65.1076 -50.6669 -17.2684 -8.35355 62.0485 -9.4605 42.8057 TIMING: 1544200 CPU: 4592.87, 0.00299446/step Wall: 4592.87, 0.00299446/step, 2.87451 hours remaining, 205.941406 MB of memory in use. ENERGY: 1544200 757.5207 2115.3600 1921.1337 113.1825 -206099.6176 17878.7033 0.0000 0.0000 34483.8934 -148829.8240 301.1564 -183313.7174 -148734.5195 301.1542 232.0204 264.3734 554711.1836 19.4880 19.6668 LDB: ============= START OF LOAD BALANCING ============== 4596.29 LDB: ============== END OF LOAD BALANCING =============== 4596.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4596.3 LDB: ============= START OF LOAD BALANCING ============== 4596.59 LDB: Largest compute 4847 load 0.024998 is 21.2% of average load 0.117955 LDB: Average compute 0.001721 is 1.5% of average load 0.117955 LDB: TIME 4596.6 LOAD: AVG 0.117955 MAX 0.200802 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 4596.6 LOAD: AVG 0.117955 MAX 0.200802 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.145 MB LDB: TIME 4596.6 LOAD: AVG 0.117955 MAX 0.200802 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.145 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4596.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4596.6 PRESSURE: 1544400 -63.551 59.9412 -36.0378 59.9409 -272.877 195.135 -36.037 195.135 -228.937 GPRESSURE: 1544400 6.56011 20.474 -31.1949 98.9099 -225.77 186.075 -39.6719 95.5008 -243.558 PRESSAVG: 1544400 0.371113 18.837 0.706649 18.8369 -63.577 -30.023 0.706582 -30.0229 45.7016 GPRESSAVG: 1544400 -0.0716219 18.982 0.439888 17.4341 -63.4515 -30.6452 2.03724 -29.9566 45.5973 TIMING: 1544400 CPU: 4593.47, 0.00304208/step Wall: 4593.47, 0.00304208/step, 2.92006 hours remaining, 204.917969 MB of memory in use. ENERGY: 1544400 757.2030 2032.3780 1960.6507 122.4705 -205456.3749 17412.2401 0.0000 0.0000 34156.6229 -149014.8096 298.2983 -183171.4325 -148913.1055 299.8463 -188.4550 -154.2561 556832.6213 -5.8348 -5.9753 PRESSURE: 1544600 -126.18 17.6983 -37.4517 17.6988 -127.912 -45.2628 -37.4524 -45.2635 -129.992 GPRESSURE: 1544600 -57.9445 42.2964 -48.1217 0.674626 -72.8416 -64.9765 -34.8432 -6.67146 -149.488 PRESSAVG: 1544600 62.0065 -0.1859 -5.50499 -0.185832 -10.5446 0.735857 -5.50501 0.73588 -48.0171 GPRESSAVG: 1544600 62.5695 -0.652894 -6.66196 0.7319 -10.726 2.19979 -6.52488 0.752878 -48.3752 TIMING: 1544600 CPU: 4594.07, 0.00297634/step Wall: 4594.07, 0.00297634/step, 2.85679 hours remaining, 204.917969 MB of memory in use. ENERGY: 1544600 730.9279 2120.6162 1944.1131 112.7897 -205813.6859 17499.8493 0.0000 0.0000 34407.1417 -148998.2480 300.4861 -183405.3897 -148903.2743 300.2902 -128.0283 -93.4248 558063.7843 1.1483 1.1561 PRESSURE: 1544800 10.5243 -8.70844 -9.42547 -8.70814 74.953 -97.2518 -9.42569 -97.2519 -57.8391 GPRESSURE: 1544800 58.1676 -0.373138 -54.6097 38.9167 119.775 -85.2006 -38.6184 -189.041 -41.499 PRESSAVG: 1544800 -46.2525 -9.09205 24.9055 -9.09208 18.5506 -24.0572 24.9054 -24.0572 -14.9225 GPRESSAVG: 1544800 -46.4755 -5.93229 24.9316 -11.0848 18.8447 -25.5449 26.1716 -25.7206 -14.5595 TIMING: 1544800 CPU: 4594.67, 0.00299576/step Wall: 4594.67, 0.00299576/step, 2.87527 hours remaining, 204.917969 MB of memory in use. ENERGY: 1544800 772.0086 2032.8304 1923.9176 110.0520 -206390.4324 17932.7168 0.0000 0.0000 34357.0524 -149261.8547 300.0487 -183618.9070 -149172.2609 299.4195 9.2127 45.4813 557523.9368 -14.2081 -14.0634 PRESSURE: 1545000 -18.784 182.05 20.6605 182.05 -337.868 17.4898 20.6606 17.4895 -171.635 GPRESSURE: 1545000 -38.0649 261.691 -66.8653 150.122 -315.267 2.64261 36.3593 31.5062 -83.909 PRESSAVG: 1545000 36.1622 35.9349 8.01773 35.9348 -13.4554 -42.3647 8.01765 -42.3649 -7.41534 GPRESSAVG: 1545000 35.0943 35.7867 7.89028 36.2673 -11.7112 -41.9335 6.43669 -41.2268 -8.24187 TIMING: 1545000 CPU: 4595.26, 0.002978/step Wall: 4595.26, 0.002978/step, 2.85805 hours remaining, 204.917969 MB of memory in use. ENERGY: 1545000 738.7617 2135.5093 1932.1799 105.4972 -206195.8331 17674.7150 0.0000 0.0000 34228.2684 -149380.9017 298.9240 -183609.1701 -149283.8016 298.9833 -176.0957 -145.7471 557604.9543 5.0971 5.0471 PRESSURE: 1545200 -193.283 -99.7704 60.092 -99.7689 -101.619 32.8741 60.0913 32.8741 81.5985 GPRESSURE: 1545200 -169.79 -143.829 53.2988 -87.483 -65.0263 152.464 24.2423 69.8772 120.411 PRESSAVG: 1545200 13.7996 27.9781 -25.4592 27.978 -8.71299 24.6744 -25.4592 24.6745 -16.0664 GPRESSAVG: 1545200 13.9275 24.5048 -26.4716 30.0181 -9.58395 24.0197 -24.6213 26.6356 -15.2348 TIMING: 1545200 CPU: 4595.86, 0.00297041/step Wall: 4595.86, 0.00297041/step, 2.8506 hours remaining, 204.917969 MB of memory in use. ENERGY: 1545200 748.1030 2077.8881 1917.5567 110.9130 -206376.6960 17731.5223 0.0000 0.0000 34328.6119 -149462.1009 299.8003 -183790.7128 -149364.3016 298.2724 -71.1011 -38.1351 558377.8754 -3.6599 -3.6304 PRESSURE: 1545400 -156.868 -128.348 117.9 -128.349 319.318 -32.2295 117.901 -32.2276 -279.612 GPRESSURE: 1545400 -112.158 -149.504 160.208 -29.415 292.431 -2.75246 -21.7942 -14.9557 -193.804 PRESSAVG: 1545400 14.6581 -18.787 -39.138 -18.7871 58.1418 45.8394 -39.1381 45.8393 -46.1945 GPRESSAVG: 1545400 14.5876 -17.0899 -38.8459 -20.6771 58.8008 46.4102 -39.6708 44.3047 -47.0158 TIMING: 1545400 CPU: 4596.45, 0.00297002/step Wall: 4596.45, 0.00297002/step, 2.85006 hours remaining, 204.917969 MB of memory in use. ENERGY: 1545400 737.0334 2119.7844 1950.9251 118.3367 -206015.1118 17609.8832 0.0000 0.0000 34158.6303 -149320.5187 298.3158 -183479.1490 -149220.6925 299.2104 -39.0541 -4.5102 557474.0343 8.8684 8.7908 PRESSURE: 1545600 73.5839 97.5591 -67.9704 97.5585 -24.467 -129.535 -67.9702 -129.534 -22.3288 GPRESSURE: 1545600 119.391 93.975 -80.7939 111.053 10.4763 -113.556 -107.445 -136.192 17.143 PRESSAVG: 1545600 21.5761 -7.45918 -25.6584 -7.45905 -15.1332 -35.4402 -25.6585 -35.4403 26.0202 GPRESSAVG: 1545600 20.0941 -6.45727 -25.9518 -8.46215 -14.4318 -34.6194 -25.2121 -36.5877 26.8103 TIMING: 1545600 CPU: 4597.05, 0.00296109/step Wall: 4597.05, 0.00296109/step, 2.84133 hours remaining, 204.917969 MB of memory in use. ENERGY: 1545600 742.7834 2025.6605 1947.7171 107.1828 -205881.2560 17789.0473 0.0000 0.0000 33969.6848 -149299.1802 296.6657 -183268.8650 -149199.6392 299.0099 8.9294 49.0034 557227.5684 10.8211 10.8242 PRESSURE: 1545800 215.433 0.764983 -16.5229 0.763883 140.282 -45.8415 -16.5233 -45.8419 -51.2902 GPRESSURE: 1545800 308.543 -34.5506 26.9906 34.1253 167.275 -108.776 5.6072 -120.624 -63.3217 PRESSAVG: 1545800 15.1723 -26.7531 -27.2323 -26.7531 12.5283 6.73202 -27.2322 6.73197 -48.2474 GPRESSAVG: 1545800 17.0166 -28.8079 -26.9521 -24.9975 11.7231 5.27268 -27.068 6.33678 -49.4732 TIMING: 1545800 CPU: 4597.64, 0.00299275/step Wall: 4597.64, 0.00299275/step, 2.87154 hours remaining, 204.917969 MB of memory in use. ENERGY: 1545800 725.2320 2090.0490 1935.9373 114.5086 -206160.0255 17814.6554 0.0000 0.0000 34409.7362 -149069.9070 300.5088 -183479.6433 -148973.5963 298.7603 101.4749 137.4985 555071.7924 -6.8489 -6.9112 PRESSURE: 1546000 -59.7493 87.5338 -42.7191 87.5337 -257.808 246.166 -42.7182 246.166 -53.7356 GPRESSURE: 1546000 47.3789 97.3659 -114.291 136.743 -244.561 296.037 31.7714 148.678 -77.6624 PRESSAVG: 1546000 66.4077 61.6814 -26.6031 61.6814 -2.58337 40.3334 -26.6031 40.3334 2.09693 GPRESSAVG: 1546000 66.0836 62.3253 -24.3086 61.9457 -2.44367 41.1991 -27.6995 39.8277 2.33804 TIMING: 1546000 CPU: 4598.24, 0.0029692/step Wall: 4598.24, 0.0029692/step, 2.84878 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: 1546000 707.0660 2093.8790 1946.9583 117.7367 -205816.9230 17514.3542 0.0000 0.0000 34273.4586 -149163.4701 299.3186 -183436.9287 -149067.5485 299.8440 -123.7642 -91.6147 557213.5185 21.9737 21.9926 PRESSURE: 1546200 -83.9507 -67.824 56.035 -67.823 -133.251 -17.1667 56.0349 -17.1675 -40.4472 GPRESSURE: 1546200 -64.6095 -37.4249 46.2464 -8.93651 -114.533 1.09266 63.3099 -43.144 12.4298 PRESSAVG: 1546200 9.40171 8.36612 19.9115 8.36608 -48.0188 5.21086 19.9114 5.21094 49.0154 GPRESSAVG: 1546200 10.0567 7.00571 18.4345 8.6479 -48.9228 3.84473 20.5422 6.89048 49.3188 TIMING: 1546200 CPU: 4598.83, 0.00296426/step Wall: 4598.83, 0.00296426/step, 2.84388 hours remaining, 204.917969 MB of memory in use. ENERGY: 1546200 734.6119 2053.0818 1952.5962 108.2416 -206026.2480 17645.5024 0.0000 0.0000 34457.5946 -149074.6195 300.9267 -183532.2141 -148972.5031 299.6123 -85.8828 -55.5710 557857.3053 3.4661 3.4842 PRESSURE: 1546400 8.94722 -250.015 -28.6094 -250.016 110.351 63.3712 -28.6092 63.3711 -44.4976 GPRESSURE: 1546400 20.9496 -226.26 -4.47316 -197.49 80.0259 32.8011 -78.6643 60.4308 81.4902 PRESSAVG: 1546400 2.65655 -27.1782 33.8387 -27.1783 39.9235 39.7759 33.8387 39.7759 32.306 GPRESSAVG: 1546400 0.708583 -27.2253 32.3427 -26.8578 40.5307 40.7776 34.7893 39.6458 33.2659 TIMING: 1546400 CPU: 4599.43, 0.00297658/step Wall: 4599.43, 0.00297658/step, 2.85553 hours remaining, 204.917969 MB of memory in use. ENERGY: 1546400 712.8890 2076.3284 1914.8916 112.7425 -206143.1508 17746.1876 0.0000 0.0000 34604.3859 -148975.7258 302.2087 -183580.1117 -148882.5361 300.0879 24.9336 60.8219 557285.4500 24.9620 24.8351 PRESSURE: 1546600 -15.8852 69.3704 72.4073 69.3697 63.5711 -67.2357 72.4077 -67.2362 -48.7312 GPRESSURE: 1546600 37.6658 37.6149 33.9663 89.2712 44.4559 13.7251 26.6978 -61.4743 13.981 PRESSAVG: 1546600 25.7118 26.3788 11.6077 26.3788 -41.4429 1.45058 11.6078 1.45055 13.39 GPRESSAVG: 1546600 26.1413 25.9109 12.667 26.3478 -41.8778 3.2108 9.8751 1.12351 12.9454 TIMING: 1546600 CPU: 4600.02, 0.00296183/step Wall: 4600.02, 0.00296183/step, 2.84122 hours remaining, 204.917969 MB of memory in use. ENERGY: 1546600 738.2543 2054.5438 1951.1913 98.5743 -205985.3264 17783.2403 0.0000 0.0000 34378.9680 -148980.5544 300.2401 -183359.5223 -148887.6838 299.7407 -0.3484 32.0342 558312.2822 -0.7804 -0.9304 PRESSURE: 1546800 -47.0419 205.192 -263.134 205.191 -53.0963 -191.215 -263.133 -191.217 20.2346 GPRESSURE: 1546800 19.4369 174.62 -255.618 199.781 1.68555 -172.231 -242.555 -152.65 -8.13797 PRESSAVG: 1546800 22.4571 20.5874 -40.9076 20.5872 52.8274 -29.2537 -40.9076 -29.2538 -55.4211 GPRESSAVG: 1546800 22.937 21.5161 -41.1449 20.4603 52.4854 -29.9684 -39.4603 -30.4463 -55.7119 TIMING: 1546800 CPU: 4600.61, 0.00293991/step Wall: 4600.61, 0.00293991/step, 2.82003 hours remaining, 204.917969 MB of memory in use. ENERGY: 1546800 752.4499 2076.5250 1971.1811 119.3344 -205959.0094 17780.9608 0.0000 0.0000 34348.9310 -148909.6273 299.9778 -183258.5583 -148819.3714 299.3352 -26.6345 4.3282 557851.1959 6.6211 6.5702 PRESSURE: 1547000 2.423 -97.052 -226.746 -97.0503 -221.868 15.0753 -226.745 15.075 -299.32 GPRESSURE: 1547000 14.6828 -161.961 -179.067 -33.57 -214.725 82.6048 -208.144 73.4323 -221.326 PRESSAVG: 1547000 -7.8903 82.543 -38.1223 82.5429 -33.4526 -35.6237 -38.1223 -35.6237 50.784 GPRESSAVG: 1547000 -7.47239 83.6191 -37.9946 82.5364 -33.6242 -35.6113 -38.5392 -34.0694 50.0651 TIMING: 1547000 CPU: 4601.2, 0.00295041/step Wall: 4601.2, 0.00295041/step, 2.82994 hours remaining, 204.917969 MB of memory in use. ENERGY: 1547000 714.1199 2075.9645 1945.5255 122.5018 -206124.6256 17642.5515 0.0000 0.0000 34563.5122 -149060.4502 301.8517 -183623.9624 -148961.5034 300.0838 -172.9219 -140.4558 559716.4409 3.1470 2.9895 PRESSURE: 1547200 248.354 53.8829 166.473 53.8823 144.405 75.0045 166.473 75.0038 214.722 GPRESSURE: 1547200 312.843 24.065 110.903 18.7792 131.112 15.8291 145.55 59.4013 267.882 PRESSAVG: 1547200 26.6587 -3.98183 15.2084 -3.98191 -63.0119 19.6881 15.2085 19.6881 20.2585 GPRESSAVG: 1547200 25.6412 -4.94053 15.4239 -4.22339 -62.7795 18.9403 13.8577 18.3174 21.1363 TIMING: 1547200 CPU: 4601.8, 0.00300197/step Wall: 4601.8, 0.00300197/step, 2.87922 hours remaining, 204.917969 MB of memory in use. ENERGY: 1547200 736.3264 2085.5945 1954.8965 101.7232 -206562.9560 18158.4416 0.0000 0.0000 34244.9022 -149281.0716 299.0692 -183525.9738 -149188.3250 299.6214 202.4933 237.2788 557569.0575 -5.3649 -5.3340 PRESSURE: 1547400 -98.1455 203.826 -27.8372 203.827 -108.84 11.6809 -27.8358 11.6794 3.64137 GPRESSURE: 1547400 -94.7896 229.028 -16.424 195.976 -44.4787 36.7229 -11.1297 12.0979 32.1901 PRESSAVG: 1547400 -22.5175 52.245 -36.158 52.2451 -43.6252 27.4864 -36.1579 27.4864 39.8665 GPRESSAVG: 1547400 -22.4461 51.2568 -36.4119 51.8445 -43.2974 27.9979 -35.4713 28.152 39.4818 TIMING: 1547400 CPU: 4602.39, 0.00297567/step Wall: 4602.39, 0.00297567/step, 2.85383 hours remaining, 204.917969 MB of memory in use. ENERGY: 1547400 689.5133 2069.8760 1947.0327 105.4394 -205962.0760 17656.7986 0.0000 0.0000 34167.8379 -149325.5780 298.3962 -183493.4159 -149231.0877 299.2813 -67.7815 -35.6927 558352.1801 -8.7587 -8.7539 PRESSURE: 1547600 31.1821 91.6732 14.6161 91.6738 127.511 -16.6032 14.617 -16.603 44.6364 GPRESSURE: 1547600 59.0279 113.162 119.939 22.5397 150.905 73.9571 -43.5574 -49.759 85.4305 PRESSAVG: 1547600 26.9792 5.75314 -8.06573 5.75324 -28.4063 -19.6711 -8.06572 -19.671 -17.3367 GPRESSAVG: 1547600 27.4821 6.79117 -6.43311 5.70191 -27.3802 -17.0963 -8.60397 -19.1288 -19.0629 TIMING: 1547600 CPU: 4602.99, 0.00298917/step Wall: 4602.99, 0.00298917/step, 2.86662 hours remaining, 204.917969 MB of memory in use. ENERGY: 1547600 723.8802 2073.4106 1965.4100 92.7327 -206667.4682 18145.8720 0.0000 0.0000 34303.7066 -149362.4561 299.5828 -183666.1627 -149264.9256 298.9986 67.7765 98.4546 557468.1725 -6.2546 -6.3203 PRESSURE: 1547800 431.055 -65.5027 -8.17355 -65.5019 6.80182 0.514926 -8.17422 0.517226 -45.3967 GPRESSURE: 1547800 474.364 -24.0874 71.794 -85.2952 88.09 -14.5114 -28.1232 18.5748 -69.1389 PRESSAVG: 1547800 56.3261 -22.5037 60.6362 -22.5036 -25.753 -80.1682 60.6362 -80.1683 -56.7624 GPRESSAVG: 1547800 55.5618 -23.7575 57.558 -21.3356 -26.4289 -81.5851 61.9131 -80.1001 -55.0749 TIMING: 1547800 CPU: 4603.59, 0.0029906/step Wall: 4603.59, 0.0029906/step, 2.86782 hours remaining, 204.917969 MB of memory in use. ENERGY: 1547800 749.3850 2118.0939 1956.9159 107.9349 -206472.7532 18019.0281 0.0000 0.0000 34305.2303 -149216.1650 299.5961 -183521.3953 -149121.5243 299.4623 130.8199 164.4384 557403.3883 -8.7297 -8.6473 PRESSURE: 1548000 -24.2271 -44.2181 -97.5767 -44.218 222.845 41.4226 -97.5769 41.4244 -65.4877 GPRESSURE: 1548000 0.0856422 3.59732 -48.4648 24.0563 254.837 -11.4835 -17.3946 62.8892 -38.7678 PRESSAVG: 1548000 15.3781 -22.3059 2.03098 -22.3059 64.2927 -14.7669 2.03099 -14.7669 -47.0347 GPRESSAVG: 1548000 15.906 -21.7637 3.868 -21.3053 64.742 -15.0065 2.20081 -14.6995 -47.8481 TIMING: 1548000 CPU: 4604.18, 0.00297765/step Wall: 4604.18, 0.00297765/step, 2.85523 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: 1548000 705.3589 2102.7553 1923.0326 107.0762 -206248.2572 17936.1010 0.0000 0.0000 34237.6982 -149236.2350 299.0063 -183473.9333 -149140.6642 299.0396 44.3768 72.0517 558833.0382 10.8787 10.9333 PRESSURE: 1548200 95.583 33.539 -67.945 33.5394 -8.49781 35.0292 -67.9454 35.0283 2.84966 GPRESSURE: 1548200 128.407 107.798 -79.2918 35.6082 57.9427 69.4098 -56.4467 75.0403 3.36621 PRESSAVG: 1548200 -27.598 37.8963 -28.5137 37.8964 50.5503 -34.0285 -28.5137 -34.0285 -1.09652 GPRESSAVG: 1548200 -28.0176 37.8777 -27.4717 34.7855 50.4984 -33.1027 -29.8682 -32.8487 -0.602938 TIMING: 1548200 CPU: 4604.78, 0.00299237/step Wall: 4604.78, 0.00299237/step, 2.86919 hours remaining, 204.917969 MB of memory in use. ENERGY: 1548200 733.3682 2083.1451 1945.2147 120.0153 -206396.3653 17963.7718 0.0000 0.0000 34280.0547 -149270.7954 299.3762 -183550.8501 -149171.5204 298.6542 29.9783 63.2385 558592.3259 7.2853 7.2926 LDB: ============= START OF LOAD BALANCING ============== 4608.21 LDB: ============== END OF LOAD BALANCING =============== 4608.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4608.22 LDB: ============= START OF LOAD BALANCING ============== 4608.52 LDB: Largest compute 4847 load 0.024614 is 20.8% of average load 0.118096 LDB: Average compute 0.001711 is 1.4% of average load 0.118096 LDB: TIME 4608.52 LOAD: AVG 0.118096 MAX 0.203643 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.965 MB LDB: TIME 4608.52 LOAD: AVG 0.118096 MAX 0.203643 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.164 MB LDB: TIME 4608.52 LOAD: AVG 0.118096 MAX 0.203643 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4608.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4608.53 PRESSURE: 1548400 -106.923 -3.00149 83.5483 -2.9987 17.6413 204.383 83.5496 204.383 -20.1733 GPRESSURE: 1548400 -57.5634 -1.20177 93.5795 -34.5322 13.9143 211.55 68.5313 258.534 32.2174 PRESSAVG: 1548400 -34.1741 -0.0391748 1.39642 -0.0392118 51.8961 -28.5576 1.39647 -28.5576 19.231 GPRESSAVG: 1548400 -34.3722 0.680329 0.753607 0.673872 51.7654 -28.849 3.79599 -30.2046 19.2221 TIMING: 1548400 CPU: 4605.4, 0.00307501/step Wall: 4605.4, 0.00307501/step, 2.94825 hours remaining, 206.453125 MB of memory in use. ENERGY: 1548400 752.0644 2138.6125 1925.4303 116.8287 -206349.3333 17818.0880 0.0000 0.0000 34281.6659 -149316.6436 299.3903 -183598.3095 -149218.0503 298.8987 -36.4851 -3.8106 557389.0084 12.3177 12.2051 PRESSURE: 1548600 -212.329 -89.8531 105.758 -89.8529 107.544 -162.981 105.758 -162.983 -44.4745 GPRESSURE: 1548600 -192.606 -103.589 145.543 -82.9032 128.696 -157.531 79.1294 -188.673 16.5523 PRESSAVG: 1548600 -92.8519 -8.67735 -22.7422 -8.6774 45.1306 -48.0033 -22.7423 -48.0033 41.3097 GPRESSAVG: 1548600 -93.0971 -7.51779 -24.7951 -9.66828 44.8364 -48.7731 -23.1838 -46.5501 42.235 TIMING: 1548600 CPU: 4606, 0.00303315/step Wall: 4606, 0.00303315/step, 2.90795 hours remaining, 206.453125 MB of memory in use. ENERGY: 1548600 762.2384 2106.5726 1940.8273 109.4658 -206551.9856 17975.8180 0.0000 0.0000 34350.5069 -149306.5567 299.9915 -183657.0636 -149200.8059 299.1774 -49.7533 -15.7860 557627.1364 -2.1372 -2.0086 PRESSURE: 1548800 -40.437 -76.5716 -50.4976 -76.5711 23.6809 55.5181 -50.4978 55.5181 22.2722 GPRESSURE: 1548800 24.8495 -91.3964 -83.1977 -32.7766 49.7906 50.3145 -2.6841 42.2758 23.7634 PRESSAVG: 1548800 -81.6514 42.1195 44.7049 42.1194 0.377308 5.55907 44.7049 5.55904 107.324 GPRESSAVG: 1548800 -81.8757 41.723 45.0802 43.7171 1.2225 4.4735 45.5289 4.39653 107.027 TIMING: 1548800 CPU: 4606.6, 0.0029888/step Wall: 4606.6, 0.0029888/step, 2.86526 hours remaining, 206.453125 MB of memory in use. ENERGY: 1548800 722.3565 2141.9244 1936.8528 116.6316 -206280.9481 17811.5617 0.0000 0.0000 34247.6574 -149303.9638 299.0933 -183551.6212 -149210.9261 298.4129 1.8387 32.8012 557467.0343 8.6834 8.7912 PRESSURE: 1549000 -407.332 -60.7421 59.2888 -60.742 9.28766 30.8043 59.287 30.8037 53.9275 GPRESSURE: 1549000 -317.097 -34.562 65.0481 -80.0636 -9.30934 150.796 36.5036 -47.7782 82.3293 PRESSAVG: 1549000 -90.9506 -12.9079 -24.6061 -12.9079 -14.9375 14.3547 -24.6062 14.3547 77.9153 GPRESSAVG: 1549000 -89.8664 -13.2574 -23.8771 -14.7326 -15.5559 16.8694 -25.5296 16.75 77.1826 TIMING: 1549000 CPU: 4607.19, 0.00295879/step Wall: 4607.19, 0.00295879/step, 2.83633 hours remaining, 206.453125 MB of memory in use. ENERGY: 1549000 719.3368 2105.9639 1961.2699 111.9782 -206204.0454 17787.9417 0.0000 0.0000 34268.3300 -149249.2249 299.2738 -183517.5550 -149156.7462 299.4327 -114.7057 -81.3592 559051.3749 -9.3242 -9.4132 PRESSURE: 1549200 -87.8771 -16.6125 130.459 -16.6139 -47.6712 -1.31831 130.459 -1.31792 29.9641 GPRESSURE: 1549200 -37.633 -19.2749 44.9882 38 -45.1223 -70.8423 99.6228 -36.4754 64.6081 PRESSAVG: 1549200 -29.4998 37.5151 9.021 37.5152 16.6097 -8.55553 9.02103 -8.5555 13.0055 GPRESSAVG: 1549200 -29.0113 38.0362 10.4096 38.8237 15.9083 -11.1257 9.06018 -9.43347 12.4044 TIMING: 1549200 CPU: 4607.79, 0.00296782/step Wall: 4607.79, 0.00296782/step, 2.84482 hours remaining, 206.453125 MB of memory in use. ENERGY: 1549200 761.1251 2116.5812 1935.7021 108.8444 -206215.8130 17715.8629 0.0000 0.0000 34315.5583 -149262.1390 299.6863 -183577.6973 -149162.4611 299.9273 -35.1947 -6.0491 557718.2118 0.0384 -0.2329 PRESSURE: 1549400 -474.164 25.6321 45.4719 25.6332 -54.9619 -111.021 45.4713 -111.022 73.3798 GPRESSURE: 1549400 -385.238 23.1045 61.2378 110.131 -50.2087 -161.273 101.753 -123.779 78.7203 PRESSAVG: 1549400 -37.4856 -28.3718 -13.1566 -28.3718 -42.7858 -42.6446 -13.1567 -42.6446 39.0784 GPRESSAVG: 1549400 -39.8766 -28.7764 -13.3988 -28.335 -42.6299 -41.3182 -12.8479 -42.0991 41.0169 TIMING: 1549400 CPU: 4608.39, 0.00300707/step Wall: 4608.39, 0.00300707/step, 2.88228 hours remaining, 206.453125 MB of memory in use. ENERGY: 1549400 754.3019 2086.6904 1941.5375 111.6533 -205961.9758 17599.0340 0.0000 0.0000 34318.3684 -149150.3903 299.7108 -183468.7588 -149062.6494 298.8312 -151.9154 -118.9088 556870.9851 -13.7310 -13.8299 PRESSURE: 1549600 -65.246 62.6213 66.7365 62.6205 11.1449 -46.5906 66.7377 -46.5916 -88.8463 GPRESSURE: 1549600 -19.7329 43.053 149.726 -1.30449 68.1677 -77.0824 11.3726 -131.504 -100.735 PRESSAVG: 1549600 13.4201 28.7968 29.7342 28.7968 -43.3073 23.8707 29.7342 23.8707 26.4779 GPRESSAVG: 1549600 13.6455 29.2035 29.9305 28.4668 -42.4429 23.4395 28.9456 23.0456 25.0219 TIMING: 1549600 CPU: 4608.99, 0.00299547/step Wall: 4608.99, 0.00299547/step, 2.87099 hours remaining, 206.453125 MB of memory in use. ENERGY: 1549600 746.8315 2074.5706 1927.3429 107.6499 -205783.3029 17575.8392 0.0000 0.0000 34172.1056 -149178.9633 298.4335 -183351.0689 -149084.7059 299.1979 -47.6491 -17.4334 556754.9958 -1.1364 -1.2585 PRESSURE: 1549800 80.0761 -44.6339 104.888 -44.6328 -45.8577 -77.0812 104.888 -77.0812 -181.876 GPRESSURE: 1549800 200.008 24.7553 134.434 14.1448 -51.3184 -101.262 -5.44961 -105.445 -210.196 PRESSAVG: 1549800 -2.66434 48.6369 45.9346 48.6369 77.1743 34.2503 45.9346 34.2504 -41.2614 GPRESSAVG: 1549800 -1.82101 47.1936 45.3677 49.2978 76.4473 36.5556 47.0805 32.9745 -41.0187 TIMING: 1549800 CPU: 4609.59, 0.00300165/step Wall: 4609.59, 0.00300165/step, 2.87675 hours remaining, 206.453125 MB of memory in use. ENERGY: 1549800 766.2954 2119.9155 1933.7371 122.5205 -206093.0928 17746.0026 0.0000 0.0000 34331.6100 -149073.0116 299.8265 -183404.6216 -148972.6485 299.2169 -49.2194 -20.5021 557369.6701 11.0829 11.2025 PRESSURE: 1550000 114.316 54.6054 -44.3686 54.6051 85.7711 -138.225 -44.3694 -138.226 -1.34877 GPRESSURE: 1550000 123.543 48.2498 -92.1016 -11.3802 120.084 -39.9594 -121.879 -180.868 55.133 PRESSAVG: 1550000 36.7167 -11.4336 4.37956 -11.4335 -54.0811 -41.6979 4.37961 -41.6981 -0.60998 GPRESSAVG: 1550000 37.077 -10.2799 3.31538 -13.3747 -53.7804 -42.886 3.51305 -39.8154 -0.850429 TIMING: 1550000 CPU: 4610.19, 0.00299244/step Wall: 4610.19, 0.00299244/step, 2.86776 hours remaining, 206.453125 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: 1550000 738.8975 2100.8690 1947.2876 119.8124 -205827.6869 17753.0831 0.0000 0.0000 34163.0866 -149004.6507 298.3547 -183167.7373 -148908.6365 299.7312 66.2461 99.5868 557098.3130 -5.9915 -5.8513 PRESSURE: 1550200 71.1726 -45.5706 -55.9306 -45.5704 -41.4758 86.1719 -55.93 86.1718 447.913 GPRESSURE: 1550200 96.1114 -52.0223 -58.5686 -55.8404 55.701 161.335 -82.4022 124.943 424.335 PRESSAVG: 1550200 -11.5834 46.1431 -11.6021 46.1432 14.5469 30.3724 -11.6021 30.3723 4.95187 GPRESSAVG: 1550200 -12.7064 46.2102 -12.4389 47.2485 14.8376 31.2649 -9.69881 30.8677 5.64324 TIMING: 1550200 CPU: 4610.78, 0.00298957/step Wall: 4610.78, 0.00298957/step, 2.86484 hours remaining, 206.453125 MB of memory in use. ENERGY: 1550200 741.3660 2045.0350 1955.3911 117.0453 -206077.4839 17809.0350 0.0000 0.0000 34458.4260 -148951.1856 300.9340 -183409.6116 -148852.8886 299.6885 159.2031 192.0492 556089.6973 2.6385 2.5915 PRESSURE: 1550400 38.8163 -5.148 -70.1819 -5.14881 -218.488 -5.19605 -70.1819 -5.19713 12.3688 GPRESSURE: 1550400 123.354 -8.79694 -50.7473 -24.0079 -153.911 -39.6652 -105.071 -16.7477 -38.2989 PRESSAVG: 1550400 24.7759 12.2026 26.5929 12.2026 -50.8253 30.4249 26.5929 30.4249 20.0755 GPRESSAVG: 1550400 26.132 13.7821 27.8175 11.509 -51.0565 29.3086 24.9122 29.7246 19.3474 TIMING: 1550400 CPU: 4611.38, 0.00297171/step Wall: 4611.38, 0.00297171/step, 2.84756 hours remaining, 206.453125 MB of memory in use. ENERGY: 1550400 733.6128 2068.4523 1936.8917 112.3513 -205953.1506 17739.5260 0.0000 0.0000 34410.5902 -148951.7264 300.5162 -183362.3165 -148863.2739 300.1694 -55.7676 -22.9520 557931.0707 -1.9913 -1.8590 PRESSURE: 1550600 412.927 -136.287 -1.14319 -136.287 44.7951 45.2686 -1.14274 45.2684 72.0564 GPRESSURE: 1550600 396.771 -136.89 -63.2856 -98.1112 148.422 24.0121 104.235 27.6382 70.5297 PRESSAVG: 1550600 41.6414 -30.4068 -75.7121 -30.4068 -7.68289 8.62338 -75.7121 8.62334 7.5818 GPRESSAVG: 1550600 42.1271 -33.1681 -76.1896 -29.9398 -6.80004 8.81598 -76.1964 9.48862 5.87889 TIMING: 1550600 CPU: 4611.98, 0.00301667/step Wall: 4611.98, 0.00301667/step, 2.89048 hours remaining, 206.453125 MB of memory in use. ENERGY: 1550600 753.9702 2057.3319 1956.5657 117.9154 -206422.3843 18148.5238 0.0000 0.0000 34335.1018 -149052.9755 299.8570 -183388.0772 -148965.5467 299.6939 176.5927 205.2412 555699.1956 13.8468 13.7353 PRESSURE: 1550800 86.3721 -46.6534 -29.4647 -46.6523 120.659 -40.5199 -29.4645 -40.5201 -37.0427 GPRESSURE: 1550800 110.07 -163.217 -104.216 -24.7248 148.204 16.4369 -25.4988 -61.8395 14.1797 PRESSAVG: 1550800 27.0005 -89.3658 -9.37899 -89.3658 -28.7781 7.25662 -9.37902 7.25667 -27.0669 GPRESSAVG: 1550800 26.8563 -89.5637 -9.2579 -87.954 -28.924 7.20065 -7.98596 7.21629 -26.645 TIMING: 1550800 CPU: 4612.58, 0.00298383/step Wall: 4612.58, 0.00298383/step, 2.85884 hours remaining, 206.453125 MB of memory in use. ENERGY: 1550800 726.2588 2090.9041 1963.5025 111.2011 -205942.8637 17723.7987 0.0000 0.0000 34278.9263 -149048.2721 299.3664 -183327.1984 -148954.7280 299.6086 56.6627 90.8180 557484.5369 -9.6149 -9.5709 PRESSURE: 1551000 10.121 -98.056 16.0316 -98.0558 -97.4668 -53.8875 16.0318 -53.8869 -279.622 GPRESSURE: 1551000 40.8207 -46.8281 56.5193 -52.4938 -109.132 -47.5606 26.9174 -86.4203 -204.436 PRESSAVG: 1551000 61.1057 -42.8028 -15.6737 -42.8028 29.4232 -29.5633 -15.6736 -29.5634 -76.6412 GPRESSAVG: 1551000 61.1403 -41.166 -18.0041 -44.724 28.5419 -28.5493 -17 -30.5704 -76.2766 TIMING: 1551000 CPU: 4613.18, 0.0029856/step Wall: 4613.18, 0.0029856/step, 2.86037 hours remaining, 206.453125 MB of memory in use. ENERGY: 1551000 772.9408 2060.1790 1978.9694 107.6604 -206104.6437 17657.0468 0.0000 0.0000 34418.1803 -149109.6671 300.5825 -183527.8475 -149011.8029 299.8752 -122.3227 -90.9156 558768.8838 4.6292 4.4685 PRESSURE: 1551200 63.4265 67.0225 32.3865 67.0216 11.6613 -131.27 32.3871 -131.27 -58.2318 GPRESSURE: 1551200 125.154 -88.8494 101.358 97.0995 18.0173 -185.623 -12.6814 -47.2873 -30.1724 PRESSAVG: 1551200 -0.277151 22.8611 21.0786 22.8611 24.6605 -45.5569 21.0787 -45.557 -10.2514 GPRESSAVG: 1551200 -0.748366 21.7717 24.3285 24.9193 24.3603 -45.2578 21.6361 -45.5755 -9.67995 TIMING: 1551200 CPU: 4613.78, 0.00301202/step Wall: 4613.78, 0.00301202/step, 2.88552 hours remaining, 206.453125 MB of memory in use. ENERGY: 1551200 741.0956 2063.6647 1940.1369 138.4065 -206151.3293 17836.4358 0.0000 0.0000 34236.0570 -149195.5328 298.9920 -183431.5898 -149101.2893 298.5709 5.6186 37.6663 557844.6133 4.7107 4.6440 PRESSURE: 1551400 163.461 -120.302 6.14881 -120.301 -48.5775 152.117 6.14983 152.118 119.227 GPRESSURE: 1551400 116.658 -31.3592 -22.9406 -199.571 22.8411 99.4094 49.3174 277.191 176.925 PRESSAVG: 1551400 -23.3349 -11.8828 -59.3214 -11.8827 17.0553 -60.9873 -59.3214 -60.9873 -3.79784 GPRESSAVG: 1551400 -24.3836 -10.5416 -59.5425 -12.9544 16.7097 -61.6329 -58.9124 -60.3762 -1.98064 TIMING: 1551400 CPU: 4614.38, 0.00299488/step Wall: 4614.38, 0.00299488/step, 2.86893 hours remaining, 206.453125 MB of memory in use. ENERGY: 1551400 721.2494 2059.6249 1974.4029 122.6526 -206551.8094 18030.3582 0.0000 0.0000 34382.4595 -149261.0619 300.2706 -183643.5214 -149168.9571 299.1879 78.0366 105.4745 557763.2531 -3.3591 -3.2182 PRESSURE: 1551600 -190.789 14.9576 -98.8103 14.9583 -229.715 22.7451 -98.811 22.7435 -107.502 GPRESSURE: 1551600 -187.733 81.007 -107.88 20.6458 -250.902 10.2574 -72.3948 25.0221 4.67733 PRESSAVG: 1551600 -23.9046 -33.0685 0.507376 -33.0684 -18.3961 -4.68052 0.507373 -4.68049 16.9047 GPRESSAVG: 1551600 -24.0577 -33.3226 -2.78507 -32.8655 -17.5494 -4.538 1.60481 -4.3717 16.0366 TIMING: 1551600 CPU: 4614.98, 0.00299954/step Wall: 4614.98, 0.00299954/step, 2.87323 hours remaining, 206.453125 MB of memory in use. ENERGY: 1551600 725.6267 2099.1220 1988.3270 118.7643 -205904.5664 17542.7305 0.0000 0.0000 34043.9708 -149386.0251 297.3145 -183429.9960 -149283.9271 298.9380 -176.0019 -144.6528 559686.5492 -8.4654 -8.5235 PRESSURE: 1551800 -29.8415 35.4318 -135.765 35.4303 -132.121 -32.2001 -135.765 -32.1996 -81.4146 GPRESSURE: 1551800 -32.5022 5.95605 -106.143 53.0855 -102.118 51.9179 -197.323 -31.7684 -10.711 PRESSAVG: 1551800 -20.4813 18.0984 -11.0823 18.0984 -12.1154 5.97625 -11.0822 5.97633 70.215 GPRESSAVG: 1551800 -19.4207 17.2729 -12.344 17.5661 -12.5022 5.48148 -10.2634 5.4766 69.5105 TIMING: 1551800 CPU: 4615.58, 0.00300101/step Wall: 4615.58, 0.00300101/step, 2.87447 hours remaining, 206.453125 MB of memory in use. ENERGY: 1551800 763.5411 2107.8781 1949.0924 114.7999 -206205.4127 17767.0629 0.0000 0.0000 34126.0225 -149377.0157 298.0310 -183503.0382 -149282.2014 298.7762 -81.1256 -48.4437 558744.4704 12.5394 12.5292 PRESSURE: 1552000 -118.107 -7.0334 72.8941 -7.03295 -133.778 -278.658 72.894 -278.658 -132.309 GPRESSURE: 1552000 -118.68 110.276 92.6317 -56.6942 -115.83 -294.377 127.638 -298.105 -55.0744 PRESSAVG: 1552000 -65.7184 -7.86005 53.9648 -7.85999 59.2796 -11.3075 53.9649 -11.3075 8.93906 GPRESSAVG: 1552000 -66.3946 -8.44426 57.2036 -5.65811 59.5675 -11.9882 53.6026 -11.6203 9.04667 TIMING: 1552000 CPU: 4616.18, 0.00299193/step Wall: 4616.18, 0.00299193/step, 2.8656 hours remaining, 206.453125 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: 1552000 751.9182 2074.9790 1966.4041 106.6638 -206185.2688 17710.4839 0.0000 0.0000 34080.4319 -149494.3880 297.6329 -183574.8199 -149397.0030 298.0130 -128.0648 -96.5283 558611.2357 0.8334 0.7399 PRESSURE: 1552200 74.4818 140.283 -161.115 140.284 -69.3784 33.7978 -161.116 33.799 -76.9749 GPRESSURE: 1552200 127.109 105.373 -248.436 149.748 -105.479 98.3543 -193.885 62.1573 -2.2246 PRESSAVG: 1552200 -14.4758 -14.6151 6.92582 -14.6151 15.8879 0.257935 6.92582 0.257931 -33.685 GPRESSAVG: 1552200 -13.4645 -13.9463 6.62221 -16.1235 14.6846 -0.207636 5.01712 1.32502 -34.0476 TIMING: 1552200 CPU: 4616.77, 0.00297474/step Wall: 4616.77, 0.00297474/step, 2.84897 hours remaining, 206.453125 MB of memory in use. ENERGY: 1552200 725.7608 2100.7083 1941.6033 115.9894 -206315.9281 17840.4858 0.0000 0.0000 34185.7728 -149405.6076 298.5529 -183591.3804 -149310.4907 298.0760 -23.9572 6.4685 558370.4915 -10.7577 -10.9425 LDB: ============= START OF LOAD BALANCING ============== 4620.2 LDB: ============== END OF LOAD BALANCING =============== 4620.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4620.2 LDB: ============= START OF LOAD BALANCING ============== 4620.5 LDB: Largest compute 4847 load 0.024549 is 20.8% of average load 0.118029 LDB: Average compute 0.001705 is 1.4% of average load 0.118029 LDB: TIME 4620.5 LOAD: AVG 0.118029 MAX 0.202341 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.918 MB LDB: TIME 4620.5 LOAD: AVG 0.118029 MAX 0.202341 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 4620.5 LOAD: AVG 0.118029 MAX 0.202341 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: ============== END OF LOAD BALANCING =============== 4620.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4620.51 PRESSURE: 1552400 -153.719 -113.876 -59.2421 -113.877 71.181 -8.73108 -59.2421 -8.7309 178.102 GPRESSURE: 1552400 -83.3146 -98.3254 -110.179 -170.511 141.675 -1.57959 -64.592 -30.4002 130.302 PRESSAVG: 1552400 -28.9718 -17.0954 -14.7505 -17.0955 50.4669 -16.7194 -14.7504 -16.7195 0.0808061 GPRESSAVG: 1552400 -30.6074 -18.3338 -16.6127 -14.2438 51.169 -15.7396 -13.0304 -17.6302 0.892082 TIMING: 1552400 CPU: 4617.38, 0.00305556/step Wall: 4617.38, 0.00305556/step, 2.92621 hours remaining, 206.710938 MB of memory in use. ENERGY: 1552400 748.2227 2124.3029 1983.0398 114.7422 -206278.9437 17816.8229 0.0000 0.0000 34118.0114 -149373.8017 297.9611 -183491.8131 -149270.7866 298.3775 31.8547 62.8873 557691.3317 7.1920 7.1512 PRESSURE: 1552600 160.771 -84.0537 -69.573 -84.0542 43.239 -113.568 -69.5714 -113.569 -15.716 GPRESSURE: 1552600 172.971 -97.5737 -28.1001 -55.3928 65.2859 -101.396 -137.458 -69.4552 34.4973 PRESSAVG: 1552600 -61.158 -17.4988 6.29217 -17.4987 68.323 -58.2321 6.2922 -58.2321 16.0825 GPRESSAVG: 1552600 -61.3306 -15.3051 7.46428 -21.7594 68.7557 -58.423 5.40205 -56.9954 15.773 TIMING: 1552600 CPU: 4617.98, 0.0029936/step Wall: 4617.98, 0.0029936/step, 2.8667 hours remaining, 206.914062 MB of memory in use. ENERGY: 1552600 706.3240 2086.3881 1949.5767 111.8310 -206316.9774 17984.0723 0.0000 0.0000 34118.5622 -149360.2230 297.9659 -183478.7853 -149273.8037 297.6526 62.7646 90.9180 557837.1473 7.7492 7.7327 PRESSURE: 1552800 -39.6861 72.8838 81.6661 72.8831 255.177 -15.9057 81.6665 -15.9049 101.627 GPRESSURE: 1552800 18.7231 78.1212 32.144 132.858 272.089 -101.773 99.72 -30.2384 137.114 PRESSAVG: 1552800 -37.9481 28.0529 -53.3464 28.0528 -7.59604 -8.10306 -53.3466 -8.10304 37.0319 GPRESSAVG: 1552800 -37.8109 27.7548 -54.4447 29.5708 -7.66923 -8.54657 -52.3744 -8.1073 36.7964 TIMING: 1552800 CPU: 4618.57, 0.00295447/step Wall: 4618.57, 0.00295447/step, 2.82907 hours remaining, 206.914062 MB of memory in use. ENERGY: 1552800 752.1474 2076.5647 1927.9926 116.9062 -206325.0582 18061.8682 0.0000 0.0000 34181.1075 -149208.4716 298.5121 -183389.5791 -149108.0811 298.2737 105.7058 142.6422 558798.0795 -2.8374 -2.8946 PRESSURE: 1553000 -45.9097 -119.725 6.83542 -119.724 141.308 40.618 6.83543 40.6176 -111.254 GPRESSURE: 1553000 48.9311 -59.5752 -77.5824 -107.314 127.342 82.6606 56.1843 133.607 -88.4886 PRESSAVG: 1553000 27.7211 -21.7283 -28.9565 -21.7284 -14.6051 -53.4129 -28.9565 -53.4128 -21.6043 GPRESSAVG: 1553000 28.0717 -24.5232 -27.2365 -19.1927 -15.7303 -51.6136 -29.4971 -55.15 -21.3198 TIMING: 1553000 CPU: 4619.17, 0.00297952/step Wall: 4619.17, 0.00297952/step, 2.85289 hours remaining, 206.914062 MB of memory in use. ENERGY: 1553000 724.6685 2123.9637 1949.6914 115.4979 -205945.0522 17822.5096 0.0000 0.0000 34029.4341 -149179.2871 297.1875 -183208.7212 -149081.4648 298.6540 -5.2853 29.2617 558338.3231 -2.8294 -2.9928 PRESSURE: 1553200 158.139 -32.5895 154.19 -32.5894 -6.54879 48.5835 154.19 48.582 121.107 GPRESSURE: 1553200 164.97 20.6977 175.264 -77.741 88.4993 -14.1915 142.236 60.7944 130.265 PRESSAVG: 1553200 -40.4053 -43.0944 6.48418 -43.0944 -49.379 -19.0829 6.48412 -19.0828 27.9887 GPRESSAVG: 1553200 -40.9834 -40.7462 8.67821 -44.0946 -48.0674 -20.7571 6.35005 -19.4527 27.2085 TIMING: 1553200 CPU: 4619.76, 0.00295179/step Wall: 4619.76, 0.00295179/step, 2.82617 hours remaining, 206.914062 MB of memory in use. ENERGY: 1553200 765.0920 2042.8372 1952.4487 96.4978 -206428.8067 18090.6290 0.0000 0.0000 34205.3588 -149275.9431 298.7239 -183481.3019 -149183.8435 298.6384 90.8991 127.9113 557987.7081 -20.5985 -20.6141 PRESSURE: 1553400 -186.847 33.8655 -88.8309 33.865 -61.1494 -209.954 -88.8317 -209.956 85.1314 GPRESSURE: 1553400 -138.695 95.8654 -90.8826 65.2384 -39.5982 -226.189 -39.6563 -238.33 108.77 PRESSAVG: 1553400 -15.5047 52.2575 -36.4973 52.2575 23.8386 -42.9445 -36.4973 -42.9445 25.0859 GPRESSAVG: 1553400 -15.1503 50.6857 -37.7892 53.5574 23.416 -41.1681 -36.6852 -43.2596 25.4025 TIMING: 1553400 CPU: 4620.35, 0.00298731/step Wall: 4620.35, 0.00298731/step, 2.86002 hours remaining, 206.914062 MB of memory in use. ENERGY: 1553400 763.7647 2024.5985 1978.0628 106.7968 -206180.3243 17819.4253 0.0000 0.0000 34142.0307 -149345.6454 298.1708 -183487.6761 -149245.9123 299.3111 -54.2882 -23.1745 559470.1542 11.1399 11.2227 PRESSURE: 1553600 165.366 -38.5635 160.156 -38.5645 -37.6859 50.6472 160.158 50.6479 72.0722 GPRESSURE: 1553600 208.073 -18.9009 178.815 -24.543 -12.5064 67.4877 184.66 39.7587 102.707 PRESSAVG: 1553600 -36.5122 -9.64298 20.5857 -9.64302 39.0318 -37.9906 20.5858 -37.9906 -41.7028 GPRESSAVG: 1553600 -36.5571 -9.58618 20.3343 -10.8731 39.0103 -38.9072 20.3982 -37.635 -41.6802 TIMING: 1553600 CPU: 4620.96, 0.00300308/step Wall: 4620.96, 0.00300308/step, 2.87495 hours remaining, 206.914062 MB of memory in use. ENERGY: 1553600 707.3065 2052.4230 1944.5542 116.8650 -206306.0324 17867.7593 0.0000 0.0000 34292.5270 -149324.5974 299.4852 -183617.1244 -149227.4964 298.1801 66.5840 99.4246 558684.6373 -13.0611 -13.0757 PRESSURE: 1553800 -6.14762 136.49 -70.4144 136.491 157.34 -69.5207 -70.4144 -69.5199 -95.8076 GPRESSURE: 1553800 48.6341 62.5096 -27.0154 177.055 163.05 -64.2259 -61.3192 -99.7791 -66.6647 PRESSAVG: 1553800 -32.9536 -21.2639 25.3258 -21.2638 -5.59688 21.3864 25.3258 21.3864 30.9097 GPRESSAVG: 1553800 -32.5839 -21.7743 26.5309 -22.2468 -6.9832 22.1511 26.0961 21.5422 31.9312 TIMING: 1553800 CPU: 4621.56, 0.00300232/step Wall: 4621.56, 0.00300232/step, 2.87405 hours remaining, 206.914062 MB of memory in use. ENERGY: 1553800 749.9531 2023.6879 1974.8638 104.0621 -206541.0222 18048.6957 0.0000 0.0000 34363.9553 -149275.8042 300.1090 -183639.7595 -149173.9991 299.0127 18.4615 48.3398 559529.9835 -2.5469 -2.5453 PRESSURE: 1554000 -176.672 142.069 19.2644 142.07 87.8858 -145.137 19.2665 -145.137 -64.7261 GPRESSURE: 1554000 -134.456 114.178 30.0786 194.863 143.069 -155.322 27.1045 -118.243 -75.0157 PRESSAVG: 1554000 -21.2728 56.1682 11.481 56.1683 2.49477 -1.06177 11.4809 -1.06177 4.33454 GPRESSAVG: 1554000 -21.4355 56.593 14.4599 59.1838 3.87902 -0.0594716 9.48034 -2.23411 2.77151 TIMING: 1554000 CPU: 4622.15, 0.00299482/step Wall: 4622.15, 0.00299482/step, 2.8667 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: 1554000 746.6818 2065.2920 1924.3198 121.3617 -206297.7676 17793.0370 0.0000 0.0000 34217.4273 -149429.6480 298.8293 -183647.0753 -149333.0240 298.6061 -51.1708 -22.1342 559115.6779 -4.8145 -4.9283 PRESSURE: 1554200 89.6047 32.9883 -141.622 32.9882 -193.213 -83.2561 -141.621 -83.2561 314.762 GPRESSURE: 1554200 132.692 125.773 -216.638 -51.2493 -155.248 1.73892 -26.1103 -79.143 326.789 PRESSAVG: 1554200 -54.9652 -0.0202312 0.517797 -0.0202425 -10.9991 -39.4063 0.51777 -39.4062 21.9811 GPRESSAVG: 1554200 -54.3068 1.19517 -2.08992 -1.94005 -11.1946 -39.8899 2.5583 -39.553 21.3424 TIMING: 1554200 CPU: 4622.75, 0.00299823/step Wall: 4622.75, 0.00299823/step, 2.86981 hours remaining, 206.914062 MB of memory in use. ENERGY: 1554200 747.1966 2080.4500 1971.1234 111.7515 -206547.4822 18073.9841 0.0000 0.0000 34166.0437 -149396.9329 298.3806 -183562.9766 -149306.0828 298.9371 70.3844 101.4110 557866.2974 -14.6611 -14.7197 PRESSURE: 1554400 -183.759 -45.1402 -154.612 -45.14 4.82739 99.4719 -154.612 99.4713 -253.177 GPRESSURE: 1554400 -128.527 -58.3837 -184.2 -101.315 25.0845 92.3404 -144.848 70.8672 -232.523 PRESSAVG: 1554400 11.2701 49.9778 -36.0792 49.9779 -53.5868 13.4604 -36.0793 13.4604 58.7577 GPRESSAVG: 1554400 12.0225 49.4396 -36.4678 49.1678 -54.453 12.3068 -35.8461 16.1111 58.5269 TIMING: 1554400 CPU: 4623.36, 0.0030182/step Wall: 4623.36, 0.0030182/step, 2.88875 hours remaining, 206.914062 MB of memory in use. ENERGY: 1554400 763.9101 2102.0844 1926.6486 119.2939 -206161.9330 17827.8475 0.0000 0.0000 34052.8928 -149369.2558 297.3924 -183422.1486 -149281.2587 298.5882 -144.0363 -111.9883 558469.6095 5.4803 5.3655 PRESSURE: 1554600 29.2024 -92.3779 -77.3303 -92.3784 82.2828 0.320174 -77.3296 0.320794 93.1736 GPRESSURE: 1554600 34.5294 -63.706 -5.82148 -46.0689 125.241 -47.9353 -74.1918 10.482 144.712 PRESSAVG: 1554600 -31.674 29.3288 -32.6172 29.3287 26.9261 27.8599 -32.6173 27.8602 -7.39914 GPRESSAVG: 1554600 -33.7592 28.9869 -33.091 29.1408 28.2556 29.5674 -32.9709 24.7672 -5.73928 TIMING: 1554600 CPU: 4623.96, 0.0030042/step Wall: 4623.96, 0.0030042/step, 2.87519 hours remaining, 206.914062 MB of memory in use. ENERGY: 1554600 730.1886 2071.1580 1921.3664 107.1377 -206237.4025 17908.7075 0.0000 0.0000 34124.9044 -149373.9399 298.0213 -183498.8443 -149270.5960 298.6593 68.2196 101.4941 557846.4793 -4.0490 -3.7476 PRESSURE: 1554800 -56.6079 220.621 26.1387 220.62 99.6665 -69.9739 26.1374 -69.9723 -120.44 GPRESSURE: 1554800 1.89656 244.041 32.918 135.362 132.553 -32.3283 37.1894 -5.76851 -122.228 PRESSAVG: 1554800 63.3077 3.68662 -50.0873 3.68665 -35.5499 -7.39483 -50.0874 -7.39485 -19.5616 GPRESSAVG: 1554800 64.0678 5.23844 -49.7452 2.05194 -36.5905 -10.1163 -50.1033 -5.49439 -19.4207 TIMING: 1554800 CPU: 4624.55, 0.00297133/step Wall: 4624.55, 0.00297133/step, 2.84356 hours remaining, 206.914062 MB of memory in use. ENERGY: 1554800 771.2836 2051.0878 1954.6896 110.0264 -206372.1832 17922.5435 0.0000 0.0000 34276.3496 -149286.2027 299.3439 -183562.5524 -149186.1579 298.5554 -25.7937 4.0737 557828.7498 2.7321 2.6855 PRESSURE: 1555000 16.5591 -90.0762 169.512 -90.0757 7.75502 129.285 169.511 129.285 -132.791 GPRESSURE: 1555000 68.543 -17.9472 184.352 -49.5589 -9.75499 87.4587 207.492 55.3849 -75.4737 PRESSAVG: 1555000 2.13191 -25.4317 -4.95408 -25.4317 2.72651 16.9675 -4.95406 16.9675 14.0234 GPRESSAVG: 1555000 2.20809 -26.1205 -5.64936 -24.0395 2.78603 16.6723 -4.75791 15.7506 13.2729 TIMING: 1555000 CPU: 4625.15, 0.00298227/step Wall: 4625.15, 0.00298227/step, 2.85387 hours remaining, 206.914062 MB of memory in use. ENERGY: 1555000 720.9310 2136.7091 1936.2616 116.7934 -205982.3930 17658.7406 0.0000 0.0000 34281.9645 -149130.9927 299.3929 -183412.9572 -149029.9708 299.3202 -36.1588 -5.5619 558466.9196 6.2939 6.0890 PRESSURE: 1555200 71.9235 -46.5262 39.063 -46.5269 54.6758 11.411 39.0635 11.4097 16.723 GPRESSURE: 1555200 78.4315 -124.986 -14.7667 -14.6279 92.925 8.26384 37.5706 36.6833 55.8927 PRESSAVG: 1555200 58.4712 55.6713 16.7411 55.6712 6.52775 39.4507 16.7413 39.4506 -52.882 GPRESSAVG: 1555200 57.8267 55.4995 15.6557 56.8238 5.64462 39.5088 17.9505 40.3862 -51.6447 TIMING: 1555200 CPU: 4625.75, 0.0029985/step Wall: 4625.75, 0.0029985/step, 2.86923 hours remaining, 206.914062 MB of memory in use. ENERGY: 1555200 738.7789 2118.7202 1919.4324 124.5127 -206892.6128 18123.4988 0.0000 0.0000 34640.7503 -149226.9193 302.5263 -183867.6696 -149131.2548 299.9759 47.7741 75.7497 556868.9640 4.0390 3.9422 PRESSURE: 1555400 -282.431 -29.0951 74.9295 -29.0947 -87.7274 -62.393 74.9297 -62.3928 5.50175 GPRESSURE: 1555400 -193.947 20.8067 78.9662 -134.211 -102.527 -147.337 54.139 -31.1563 26.9427 PRESSAVG: 1555400 54.9378 -2.21277 -20.8324 -2.21274 -36.6094 -55.5286 -20.8322 -55.5286 7.28591 GPRESSAVG: 1555400 55.7635 -2.70743 -16.9288 -2.36079 -36.6939 -57.2731 -23.6783 -53.728 6.20584 TIMING: 1555400 CPU: 4626.35, 0.00301324/step Wall: 4626.35, 0.00301324/step, 2.88317 hours remaining, 206.914062 MB of memory in use. ENERGY: 1555400 732.3229 2091.9601 1968.9523 108.4378 -205960.0576 17516.0483 0.0000 0.0000 34392.1660 -149150.1703 300.3553 -183542.3362 -149051.3427 299.7683 -121.5523 -89.8437 557808.3767 8.5381 8.4252 PRESSURE: 1555600 231.588 -139.924 -48.1814 -139.924 124.179 -180.496 -48.1817 -180.497 363.845 GPRESSURE: 1555600 340.911 -194.13 29.956 -147.639 166.658 -211.436 -90.5936 -175.334 309.5 PRESSAVG: 1555600 -58.4523 -6.82979 -19.5045 -6.82978 -35.412 36.1815 -19.5046 36.1814 48.0912 GPRESSAVG: 1555600 -58.4309 -5.29823 -20.4455 -7.56929 -35.8003 39.3896 -20.4503 33.9038 48.218 TIMING: 1555600 CPU: 4626.96, 0.00302391/step Wall: 4626.96, 0.00302391/step, 2.89321 hours remaining, 206.914062 MB of memory in use. ENERGY: 1555600 708.7437 2074.6372 1939.1730 124.6400 -206511.8120 18104.6002 0.0000 0.0000 34281.9727 -149278.0452 299.3930 -183560.0179 -149176.8412 299.6170 239.8707 272.3564 556308.2922 -15.2577 -15.3377 PRESSURE: 1555800 2.01657 -95.4343 -30.9125 -95.4344 99.4683 -132.755 -30.9117 -132.754 117.374 GPRESSURE: 1555800 91.8487 -140.9 -37.1594 -150.146 72.4422 -126.475 -2.47277 -146.389 152.434 PRESSAVG: 1555800 14.9374 -57.4279 -33.012 -57.4278 -29.7623 48.7746 -33.0121 48.7745 28.5253 GPRESSAVG: 1555800 14.5992 -58.626 -36.9686 -57.0127 -29.3341 47.7771 -29.089 47.4468 28.3233 TIMING: 1555800 CPU: 4627.56, 0.00299778/step Wall: 4627.56, 0.00299778/step, 2.86804 hours remaining, 206.914062 MB of memory in use. ENERGY: 1555800 744.6142 2126.7227 1937.7842 105.4653 -205993.8671 17676.8021 0.0000 0.0000 34243.1375 -149159.3410 299.0538 -183402.4785 -149059.0662 299.0684 72.9528 105.5751 556946.9760 4.5668 4.5295 PRESSURE: 1556000 -251.865 101.39 -164.43 101.391 -59.5888 -225.225 -164.43 -225.226 -162.328 GPRESSURE: 1556000 -216.538 153.509 -145.923 62.4596 -13.8838 -180.712 -175.867 -219.293 -142.594 PRESSAVG: 1556000 7.34219 -12.2515 -23.9979 -12.2516 -32.2231 -25.6832 -23.9978 -25.6833 19.8445 GPRESSAVG: 1556000 7.81303 -9.27923 -21.5696 -14.8863 -32.3977 -24.7906 -27.7052 -25.3872 20.016 TIMING: 1556000 CPU: 4628.15, 0.00295767/step Wall: 4628.15, 0.00295767/step, 2.8295 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: 1556000 762.6834 2111.9358 1939.1425 119.0552 -205927.3484 17446.9745 0.0000 0.0000 34262.6930 -149284.8640 299.2246 -183547.5570 -149184.6009 299.4815 -157.9274 -124.3387 556838.1180 -1.6788 -1.5229 PRESSURE: 1556200 155.169 -17.6393 -60.0489 -17.6394 174.099 123.868 -60.0499 123.868 33.2129 GPRESSURE: 1556200 175.534 -32.551 4.3813 21.2706 176.844 72.1041 -71.9849 75.7474 97.5066 PRESSAVG: 1556200 -44.0046 -21.8732 3.35213 -21.8731 -0.152537 -14.7584 3.35211 -14.7583 54.7394 GPRESSAVG: 1556200 -44.6883 -25.1829 2.04378 -18.6297 0.154413 -15.493 5.22401 -13.8626 55.0253 TIMING: 1556200 CPU: 4628.74, 0.00297202/step Wall: 4628.74, 0.00297202/step, 2.84307 hours remaining, 206.914062 MB of memory in use. ENERGY: 1556200 755.2851 2056.1740 1944.0635 132.0550 -206565.2089 18020.4763 0.0000 0.0000 34228.4917 -149428.6633 298.9259 -183657.1550 -149333.3956 298.8720 120.8272 149.9616 556719.8716 3.5274 3.4971 LDB: ============= START OF LOAD BALANCING ============== 4632.17 LDB: ============== END OF LOAD BALANCING =============== 4632.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4632.17 LDB: ============= START OF LOAD BALANCING ============== 4632.47 LDB: Largest compute 4847 load 0.024685 is 20.9% of average load 0.118001 LDB: Average compute 0.001724 is 1.5% of average load 0.118001 LDB: TIME 4632.47 LOAD: AVG 0.118001 MAX 0.200134 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 4632.47 LOAD: AVG 0.118001 MAX 0.200134 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.59 MB LDB: TIME 4632.47 LOAD: AVG 0.118001 MAX 0.200134 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4632.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4632.48 PRESSURE: 1556400 -133.536 -75.6502 28.332 -75.6498 -343.627 -163.203 28.3333 -163.203 66.8659 GPRESSURE: 1556400 -110.128 30.2312 15.1387 -152.259 -294.953 -235.379 -57.2248 -101.272 107.177 PRESSAVG: 1556400 20.6369 -18.965 8.42843 -18.965 -8.33167 -13.8008 8.42847 -13.8008 22.2511 GPRESSAVG: 1556400 20.2195 -19.8385 8.75269 -20.2926 -8.84573 -13.3809 5.97688 -14.2496 23.1384 TIMING: 1556400 CPU: 4629.35, 0.00303515/step Wall: 4629.35, 0.00303515/step, 2.90329 hours remaining, 206.507812 MB of memory in use. ENERGY: 1556400 732.7387 2152.4352 1963.8760 108.6704 -206373.5806 17687.9022 0.0000 0.0000 34181.8260 -149546.1321 298.5184 -183727.9581 -149442.6102 298.7702 -136.7655 -99.3011 558294.8953 11.5188 11.5040 PRESSURE: 1556600 414.725 -50.0395 -61.914 -50.0399 203.679 29.0667 -61.9129 29.0639 449.091 GPRESSURE: 1556600 503.472 -142.762 -20.0863 -64.1659 264.71 55.2896 -95.7027 12.5962 406.007 PRESSAVG: 1556600 6.47162 -67.8777 -6.07139 -67.8777 -17.813 -8.91512 -6.07146 -8.91508 58.1056 GPRESSAVG: 1556600 7.5174 -66.9786 -4.80975 -67.5737 -18.8959 -9.25254 -4.03209 -8.19075 58.2401 TIMING: 1556600 CPU: 4629.95, 0.00299203/step Wall: 4629.95, 0.00299203/step, 2.86188 hours remaining, 206.507812 MB of memory in use. ENERGY: 1556600 736.5920 2092.6445 1941.7290 106.4903 -207242.4630 18483.7544 0.0000 0.0000 34279.2095 -149602.0434 299.3689 -183881.2528 -149507.6573 298.5798 355.8316 391.3965 555459.9739 15.5881 15.6205 PRESSURE: 1556800 -29.8921 10.9511 -56.1187 10.9511 -89.1964 59.6034 -56.1185 59.6022 -128.677 GPRESSURE: 1556800 -9.55327 15.9845 -49.0784 -28.1745 -23.444 128.785 8.21364 74.2474 -102.864 PRESSAVG: 1556800 -5.50574 34.9411 -9.19324 34.9412 -35.4813 29.6736 -9.19314 29.6736 84.557 GPRESSAVG: 1556800 -5.75418 36.7892 -10.0286 32.9989 -32.2639 28.8173 -10.8246 30.4865 81.6966 TIMING: 1556800 CPU: 4630.55, 0.00299714/step Wall: 4630.55, 0.00299714/step, 2.8666 hours remaining, 206.507812 MB of memory in use. ENERGY: 1556800 756.0554 2094.1625 1942.3867 115.1846 -206436.2899 17783.1139 0.0000 0.0000 34225.9427 -149519.4441 298.9037 -183745.3869 -149426.8530 299.3371 -82.5884 -45.2871 556922.5727 14.5233 14.5595 PRESSURE: 1557000 104.377 48.9801 3.55046 48.9809 16.5993 73.0472 3.54952 73.0482 315.508 GPRESSURE: 1557000 151.099 50.8421 -45.0598 70.3159 43.2693 77.0533 0.411203 2.28614 330.965 PRESSAVG: 1557000 123.565 76.8308 -12.6823 76.8308 -112.123 54.0336 -12.6822 54.0336 -24.3914 GPRESSAVG: 1557000 122.924 73.3426 -12.9809 78.1588 -113.542 56.7275 -11.5212 52.7069 -22.4091 TIMING: 1557000 CPU: 4631.15, 0.00299768/step Wall: 4631.15, 0.00299768/step, 2.86695 hours remaining, 206.507812 MB of memory in use. ENERGY: 1557000 771.2158 2089.2821 1961.1033 111.0965 -207061.7852 18042.7279 0.0000 0.0000 34419.5345 -149666.8249 300.5944 -184086.3594 -149571.4964 298.3810 145.4947 175.1111 555388.8304 -4.3165 -4.3425 PRESSURE: 1557200 -132.571 60.6329 -95.0528 60.6315 -136.679 -21.9602 -95.0544 -21.9605 -87.6719 GPRESSURE: 1557200 -98.4389 48.5384 -115.555 44.2114 -70.1015 -10.8476 -80.2196 -68.6314 -91.3032 PRESSAVG: 1557200 8.25951 -24.8196 7.55047 -24.8196 -6.61437 13.1732 7.55058 13.1732 11.0411 GPRESSAVG: 1557200 8.89345 -22.6303 5.99386 -25.4461 -6.31986 10.7975 8.48873 13.2612 9.9651 TIMING: 1557200 CPU: 4631.75, 0.00300327/step Wall: 4631.75, 0.00300327/step, 2.87213 hours remaining, 206.507812 MB of memory in use. ENERGY: 1557200 739.1868 2086.2039 1958.4119 100.4819 -206604.9522 17862.4299 0.0000 0.0000 34166.5369 -149691.7008 298.3849 -183858.2378 -149599.0424 298.1326 -118.9739 -86.6145 556700.1781 4.2287 4.1796 PRESSURE: 1557400 -189.688 -55.9465 -0.760178 -55.9471 -160.027 56.3466 -0.7602 56.3489 -207.134 GPRESSURE: 1557400 -141.175 43.0546 -45.8274 -101.978 -117.635 38.8276 101.688 108.119 -208.007 PRESSAVG: 1557400 -37.2818 -52.1698 3.23704 -52.1699 38.2949 -35.6123 3.2371 -35.6122 -17.1028 GPRESSAVG: 1557400 -37.0704 -51.8971 5.66551 -51.2074 37.5683 -35.1477 2.28351 -33.846 -16.7828 TIMING: 1557400 CPU: 4632.34, 0.0029847/step Wall: 4632.34, 0.0029847/step, 2.8542 hours remaining, 206.507812 MB of memory in use. ENERGY: 1557400 750.0020 2049.0166 1992.7974 115.9841 -206345.7352 17705.4703 0.0000 0.0000 34179.8142 -149552.6507 298.5008 -183732.4649 -149462.0728 298.0493 -185.6163 -155.6059 557478.1179 -5.3633 -5.4283 PRESSURE: 1557600 251.506 -150.536 -23.1887 -150.535 369.653 -77.449 -23.1884 -77.4472 307.917 GPRESSURE: 1557600 237.359 -213.238 -41.2657 -89.2563 417.181 -103.264 -81.4887 -54.4312 357.397 PRESSAVG: 1557600 -62.3287 -28.8023 26.2924 -28.8023 23.1258 -12.881 26.2924 -12.881 -4.14261 GPRESSAVG: 1557600 -62.6326 -30.5169 25.8793 -28.4365 21.791 -13.459 24.6709 -13.3095 -2.06407 TIMING: 1557600 CPU: 4632.94, 0.00300144/step Wall: 4632.94, 0.00300144/step, 2.87004 hours remaining, 206.507812 MB of memory in use. ENERGY: 1557600 709.6493 2063.4167 1948.2771 107.3053 -206952.3391 18202.5421 0.0000 0.0000 34241.6476 -149679.5011 299.0408 -183921.1487 -149580.7558 298.0154 309.6922 337.3124 554848.2083 -14.4485 -14.3019 PRESSURE: 1557800 92.714 -23.8052 -123.597 -23.8054 -233.656 -2.72907 -123.596 -2.72826 -173.497 GPRESSURE: 1557800 120.223 -37.8596 -9.22094 -18.0747 -201.813 10.1434 -194.258 -88.4518 -140.297 PRESSAVG: 1557800 27.1804 -21.5481 -14.3011 -21.5481 62.2105 -1.61141 -14.301 -1.61135 -39.8708 GPRESSAVG: 1557800 26.3681 -17.8797 -15.5417 -24.2212 62.2817 -1.25035 -13.7088 -2.12921 -39.5584 TIMING: 1557800 CPU: 4633.54, 0.00299889/step Wall: 4633.54, 0.00299889/step, 2.86744 hours remaining, 206.507812 MB of memory in use. ENERGY: 1557800 715.6067 2093.5587 1961.9535 106.1786 -206235.1091 17710.6110 0.0000 0.0000 34147.5591 -149499.6415 298.2191 -183647.2006 -149402.0108 298.7235 -104.8131 -73.9624 556702.3710 16.5067 16.3638 PRESSURE: 1558000 -9.65936 -10.0389 -11.185 -10.0396 43.1037 -46.9323 -11.1856 -46.9341 -31.661 GPRESSURE: 1558000 67.8089 19.3707 36.9954 -59.8869 -16.2664 -110.123 12.509 -14.822 47.476 PRESSAVG: 1558000 5.18645 -5.52547 -45.1441 -5.52546 -46.8702 -37.7988 -45.1439 -37.799 -6.47975 GPRESSAVG: 1558000 5.46054 -8.73375 -45.622 -5.3016 -46.4931 -39.1129 -43.6409 -36.4923 -6.64729 TIMING: 1558000 CPU: 4634.14, 0.0029799/step Wall: 4634.14, 0.0029799/step, 2.84912 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: 1558000 748.1799 2068.7992 1964.0306 104.4643 -206609.9536 18005.1344 0.0000 0.0000 34372.2020 -149347.1432 300.1810 -183719.3451 -149248.3128 298.5124 0.5944 33.0062 557188.5883 -16.0545 -15.8933 PRESSURE: 1558200 12.6459 23.9443 25.9158 23.9453 46.7996 188.1 25.9153 188.1 -36.465 GPRESSURE: 1558200 23.5104 23.345 8.14371 26.3119 56.4752 144.8 -4.69983 170.457 45.7559 PRESSAVG: 1558200 -2.12899 13.8993 54.0466 13.8994 16.5589 0.723527 54.0466 0.723597 -78.525 GPRESSAVG: 1558200 -1.92084 14.2418 54.9033 14.9872 16.7222 1.77344 55.3283 1.10728 -79.2308 TIMING: 1558200 CPU: 4634.74, 0.00298606/step Wall: 4634.74, 0.00298606/step, 2.85484 hours remaining, 206.507812 MB of memory in use. ENERGY: 1558200 747.1860 2158.0896 1963.0638 119.6347 -206355.3093 17841.4478 0.0000 0.0000 33968.5880 -149557.2995 296.6561 -183525.8875 -149461.3418 298.1449 7.6602 41.9138 558243.6732 -21.3650 -21.4765 PRESSURE: 1558400 38.8117 -143.806 9.94701 -143.807 -103.925 -32.3855 9.94592 -32.3851 -38.0797 GPRESSURE: 1558400 34.8773 -174.028 65.2273 -146.654 -86.3889 -28.8863 -7.02354 -125.056 49.9618 PRESSAVG: 1558400 -20.7258 16.2254 24.5245 16.2253 30.3091 11.1579 24.5246 11.1579 -33.1365 GPRESSAVG: 1558400 -20.0893 16.7051 25.2445 16.9378 30.2537 10.6067 20.4685 11.7999 -33.6167 TIMING: 1558400 CPU: 4635.34, 0.00299346/step Wall: 4635.34, 0.00299346/step, 2.86175 hours remaining, 206.507812 MB of memory in use. ENERGY: 1558400 745.0356 2074.8706 1946.2795 119.6548 -206534.2842 17980.9438 0.0000 0.0000 34210.3831 -149457.1169 298.7678 -183667.4999 -149356.1131 298.3044 -34.3976 -0.5166 557318.8793 -7.8511 -7.8175 PRESSURE: 1558600 -50.0785 -63.7518 47.5898 -63.7516 -130.675 63.5484 47.5901 63.5485 -95.9699 GPRESSURE: 1558600 -22.1836 -127.104 54.4234 -19.1713 -134.354 85.0846 117.998 36.7864 -35.0548 PRESSAVG: 1558600 6.47827 11.3415 40.7229 11.3414 71.5024 -2.6998 40.7229 -2.69981 -18.2868 GPRESSAVG: 1558600 6.27838 10.5009 39.8755 12.0405 71.433 0.755659 42.9484 -5.12524 -17.7048 TIMING: 1558600 CPU: 4635.93, 0.00297779/step Wall: 4635.93, 0.00297779/step, 2.8466 hours remaining, 206.507812 MB of memory in use. ENERGY: 1558600 753.7230 2103.4376 1935.8334 102.3637 -206042.7003 17432.1916 0.0000 0.0000 34298.0264 -149417.1246 299.5332 -183715.1511 -149319.9495 299.2503 -92.2411 -63.8641 556824.0084 19.8979 20.0022 PRESSURE: 1558800 -243.574 -83.0295 68.5881 -83.0303 -63.2301 18.9371 68.588 18.9356 309.848 GPRESSURE: 1558800 -273.958 1.11986 96.3778 -156.669 51.8987 0.392438 17.4231 11.7988 330.37 PRESSAVG: 1558800 7.3813 -13.8765 8.83367 -13.8765 -62.2765 0.28545 8.83363 0.28547 23.4367 GPRESSAVG: 1558800 5.91921 -13.8034 9.92075 -15.5532 -61.2718 -2.08977 7.41447 1.12532 23.7055 TIMING: 1558800 CPU: 4636.53, 0.00298757/step Wall: 4636.53, 0.00298757/step, 2.85578 hours remaining, 206.507812 MB of memory in use. ENERGY: 1558800 763.6520 2078.1343 1970.4255 111.9120 -206551.8679 17980.8157 0.0000 0.0000 34296.6454 -149350.2830 299.5211 -183646.9284 -149254.3142 299.1857 1.0148 36.1035 557011.7372 -10.4862 -10.5490 PRESSURE: 1559000 64.2533 14.6121 33.6457 14.6099 -170.738 -48.0004 33.6463 -48.0005 -196.803 GPRESSURE: 1559000 72.4671 36.4493 -56.0056 46.5373 -124.225 -11.5463 125.162 -96.1914 -159.268 PRESSAVG: 1559000 -1.46015 52.5424 -9.72791 52.5423 -23.7475 -11.8797 -9.72791 -11.8797 19.7214 GPRESSAVG: 1559000 0.0134214 55.7537 -9.98022 52.5417 -24.483 -13.6508 -7.81633 -11.6779 18.7646 TIMING: 1559000 CPU: 4637.12, 0.00297694/step Wall: 4637.12, 0.00297694/step, 2.84546 hours remaining, 206.507812 MB of memory in use. ENERGY: 1559000 770.0523 2070.3788 1959.6764 112.6101 -206337.8208 17710.9311 0.0000 0.0000 34396.3122 -149317.8599 300.3915 -183714.1721 -149221.5670 299.9990 -101.0958 -70.3419 557936.9839 -1.8287 -1.9016 PRESSURE: 1559200 -35.9477 -49.0308 -24.6417 -49.0293 -111.114 73.8789 -24.6425 73.8781 -34.6075 GPRESSURE: 1559200 15.2019 -87.132 73.9694 48.459 -89.3776 147.843 60.6202 70.2856 -15.592 PRESSAVG: 1559200 -12.6438 29.562 -5.52457 29.5619 7.96264 20.2157 -5.52457 20.2158 0.162949 GPRESSAVG: 1559200 -13.8363 27.2468 -5.46028 29.8588 9.27865 21.8759 -6.92774 19.7946 -0.452183 TIMING: 1559200 CPU: 4637.72, 0.00296204/step Wall: 4637.72, 0.00296204/step, 2.83105 hours remaining, 206.507812 MB of memory in use. ENERGY: 1559200 772.6409 2034.8665 1947.8700 118.2908 -206394.5348 17760.8365 0.0000 0.0000 34323.3061 -149436.7240 299.7540 -183760.0301 -149347.7712 299.1395 -60.5565 -29.9226 556807.0348 -1.5061 -1.6699 PRESSURE: 1559400 37.9538 109.878 -26.1619 109.877 51.3092 -102.814 -26.1612 -102.815 -45.5935 GPRESSURE: 1559400 21.2665 126.019 21.1859 97.7504 63.822 -102.39 -32.2318 -64.0276 65.7752 PRESSAVG: 1559400 62.3016 -42.7592 -9.68605 -42.7593 -59.9004 6.03757 -9.68609 6.03759 23.6533 GPRESSAVG: 1559400 63.3364 -43.0002 -10.7169 -40.8919 -61.6708 7.15475 -9.56632 6.4242 24.7345 TIMING: 1559400 CPU: 4638.31, 0.00295639/step Wall: 4638.31, 0.00295639/step, 2.82549 hours remaining, 206.507812 MB of memory in use. ENERGY: 1559400 783.2005 2026.0501 1954.4940 99.1104 -206296.2580 17875.4853 0.0000 0.0000 34161.0476 -149396.8702 298.3369 -183557.9178 -149301.7935 298.9895 14.5565 50.2879 556942.4686 8.6848 8.8000 PRESSURE: 1559600 -20.3877 40.8158 6.11806 40.8165 -185.36 -87.2304 6.11734 -87.2297 -265.862 GPRESSURE: 1559600 -0.126112 -13.9756 6.31307 14.1855 -121.712 -80.6952 -38.2836 23.562 -255.555 PRESSAVG: 1559600 -93.4955 -23.8105 -21.3918 -23.8106 63.1283 -37.3581 -21.3919 -37.358 -9.69153 GPRESSAVG: 1559600 -93.6484 -23.0658 -21.4178 -25.1483 62.8284 -36.9784 -20.8973 -37.002 -9.20413 TIMING: 1559600 CPU: 4638.91, 0.00298725/step Wall: 4638.91, 0.00298725/step, 2.85482 hours remaining, 206.507812 MB of memory in use. ENERGY: 1559600 718.4522 2084.8098 1949.8344 109.6396 -205956.7636 17509.6776 0.0000 0.0000 34213.2418 -149371.1082 298.7927 -183584.3499 -149268.8365 298.6905 -157.2030 -125.7976 559115.3088 -13.3529 -13.3414 PRESSURE: 1559800 184.713 6.28142 -37.5771 6.28176 326.612 73.9791 -37.5776 73.979 -55.7658 GPRESSURE: 1559800 271.525 42.51 -97.9064 75.4526 313.668 51.6485 -5.47843 31.9383 -25.3444 PRESSAVG: 1559800 -4.10881 22.5361 18.9612 22.5361 -38.1084 19.5232 18.9611 19.5232 34.6911 GPRESSAVG: 1559800 -4.27222 21.9404 20.756 23.2384 -37.1559 16.7238 17.5765 19.8257 34.1118 TIMING: 1559800 CPU: 4639.5, 0.00296614/step Wall: 4639.5, 0.00296614/step, 2.83448 hours remaining, 206.507812 MB of memory in use. ENERGY: 1559800 758.3469 2104.4969 1941.6823 120.7709 -207024.7437 18342.3051 0.0000 0.0000 34293.9408 -149463.2008 299.4975 -183757.1416 -149372.1561 298.4148 151.8530 186.6163 558680.9441 -2.5087 -2.4388 PRESSURE: 1560000 -255.964 29.5656 35.682 29.5646 -321.786 179.065 35.6815 179.065 -311.425 GPRESSURE: 1560000 -230.646 59.934 -120.396 16.0518 -290.996 151.357 150.034 131.839 -269.633 PRESSAVG: 1560000 -10.2528 -14.1539 -10.5597 -14.154 -45.6472 4.16237 -10.5597 4.16243 44.6682 GPRESSAVG: 1560000 -10.6864 -13.8913 -11.9601 -14.2795 -45.9733 5.85343 -9.52493 3.62304 45.2553 TIMING: 1560000 CPU: 4640.1, 0.00298267/step Wall: 4640.1, 0.00298267/step, 2.85011 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: 1560000 740.2158 2082.8063 1936.0687 115.0967 -206266.5282 17732.1466 0.0000 0.0000 33983.8935 -149676.3006 296.7898 -183660.1942 -149581.7671 298.0467 -296.3915 -263.7584 559693.8369 -3.7440 -3.8015 PRESSURE: 1560200 -19.5951 42.2112 123.642 42.2098 -210.272 -24.2512 123.643 -24.252 126.953 GPRESSURE: 1560200 6.63743 95.8058 205.648 43.649 -201.46 -94.7433 97.4038 -6.29754 185.42 PRESSAVG: 1560200 -5.49433 -36.6438 -16.8718 -36.6438 -2.23979 18.1146 -16.8717 18.1145 9.857 GPRESSAVG: 1560200 -5.24533 -35.3469 -17.4634 -36.7121 -1.2894 18.8917 -16.714 17.2236 8.89821 TIMING: 1560200 CPU: 4640.69, 0.00297763/step Wall: 4640.69, 0.00297763/step, 2.84513 hours remaining, 206.507812 MB of memory in use. ENERGY: 1560200 754.0373 1997.3661 1950.5774 110.6886 -206849.0816 18124.0475 0.0000 0.0000 34340.2775 -149572.0872 299.9022 -183912.3647 -149477.7073 298.1250 -34.3047 -3.1343 557987.2849 0.7076 0.7878 LDB: ============= START OF LOAD BALANCING ============== 4644.12 LDB: ============== END OF LOAD BALANCING =============== 4644.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4644.12 LDB: ============= START OF LOAD BALANCING ============== 4644.42 LDB: Largest compute 4821 load 0.025066 is 21.2% of average load 0.118039 LDB: Average compute 0.001716 is 1.5% of average load 0.118039 LDB: TIME 4644.42 LOAD: AVG 0.118039 MAX 0.200101 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.309 MB LDB: TIME 4644.42 LOAD: AVG 0.118039 MAX 0.200101 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.309 MB LDB: TIME 4644.42 LOAD: AVG 0.118039 MAX 0.200101 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.309 MB LDB: ============== END OF LOAD BALANCING =============== 4644.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4644.43 PRESSURE: 1560400 36.0581 -35.3971 -157.064 -35.3965 -232.278 -14.5825 -157.063 -14.5821 -227.995 GPRESSURE: 1560400 34.8807 -113.973 -155.948 8.11215 -194.566 -27.2136 -123.876 45.4767 -166.745 PRESSAVG: 1560400 20.0499 -41.3783 28.125 -41.3784 -26.413 -15.2814 28.1249 -15.2814 12.505 GPRESSAVG: 1560400 19.2934 -41.3111 29.0894 -39.9627 -26.7423 -16.5863 25.5731 -13.2278 12.9829 TIMING: 1560400 CPU: 4641.3, 0.00304101/step Wall: 4641.3, 0.00304101/step, 2.90551 hours remaining, 207.398438 MB of memory in use. ENERGY: 1560400 750.3570 2062.5300 1945.9188 110.6720 -206218.8970 17710.8043 0.0000 0.0000 34237.2019 -149401.4131 299.0020 -183638.6150 -149299.4775 298.1186 -141.4048 -108.8100 558977.7387 2.0473 1.8447 PRESSURE: 1560600 46.2261 -8.22287 106.621 -8.22174 132.947 34.929 106.621 34.9312 75.9536 GPRESSURE: 1560600 95.7393 -99.1087 148.768 103.183 178.577 62.0198 99.3949 82.7511 78.8447 PRESSAVG: 1560600 -12.0624 -11.5228 -36.9635 -11.5226 5.81831 2.78576 -36.9636 2.78578 29.3625 GPRESSAVG: 1560600 -11.0519 -14.7859 -37.7551 -10.9082 4.8982 3.72675 -35.3803 2.75815 28.9039 TIMING: 1560600 CPU: 4641.9, 0.00299643/step Wall: 4641.9, 0.00299643/step, 2.86275 hours remaining, 207.597656 MB of memory in use. ENERGY: 1560600 755.1806 2043.8694 1957.6642 114.1689 -206694.4060 18173.6224 0.0000 0.0000 34222.0575 -149427.8430 298.8697 -183649.9005 -149331.0529 298.4389 85.0424 117.7203 557775.1103 7.7061 7.5834 PRESSURE: 1560800 210.136 -175.032 66.7363 -175.031 -75.881 58.1202 66.7372 58.1185 157.928 GPRESSURE: 1560800 277.086 -161.023 107.335 -124.625 -83.1176 78.023 83.6197 79.9267 183.57 PRESSAVG: 1560800 28.901 -8.7343 0.39138 -8.73426 -54.7509 0.21446 0.391441 0.214464 49.4836 GPRESSAVG: 1560800 28.845 -8.01619 0.533598 -8.91698 -54.0499 -0.267491 -0.0941278 0.748023 48.9134 TIMING: 1560800 CPU: 4642.5, 0.00299907/step Wall: 4642.5, 0.00299907/step, 2.86511 hours remaining, 207.597656 MB of memory in use. ENERGY: 1560800 723.8195 2084.5180 1953.7275 106.9645 -206393.2169 17914.8985 0.0000 0.0000 34094.3219 -149514.9670 297.7542 -183609.2889 -149420.4222 298.2379 97.3945 125.8459 556575.8696 7.8779 7.9028 PRESSURE: 1561000 458.441 158.231 10.8471 158.231 -69.3915 29.9713 10.8452 29.9737 122.836 GPRESSURE: 1561000 465.598 87.5798 53.4067 137.403 15.0806 18.3975 -29.9547 -47.4253 113.333 PRESSAVG: 1561000 92.8077 -14.8532 -44.606 -14.8532 -64.4603 23.3187 -44.6059 23.3187 -13.2986 GPRESSAVG: 1561000 93.1767 -14.2564 -44.4582 -16.5371 -64.1816 24.9415 -43.6301 20.2481 -13.9883 TIMING: 1561000 CPU: 4643.09, 0.00297138/step Wall: 4643.09, 0.00297138/step, 2.83849 hours remaining, 207.597656 MB of memory in use. ENERGY: 1561000 729.5401 2027.2526 1965.6031 115.3615 -206311.8391 17942.8302 0.0000 0.0000 34094.1090 -149437.1425 297.7523 -183531.2516 -149336.6076 297.6693 170.6286 198.0039 556616.3041 5.0163 5.0023 PRESSURE: 1561200 -29.8255 131.15 -93.4432 131.15 195.51 138.712 -93.4432 138.714 58.565 GPRESSURE: 1561200 35.0523 106.015 -160.976 94.316 196.105 146.806 -90.983 54.8695 70.2722 PRESSAVG: 1561200 -7.59794 37.891 -3.90783 37.891 -20.1388 41.4924 -3.90788 41.4922 6.23778 GPRESSAVG: 1561200 -8.02339 36.1982 -3.81973 38.4343 -21.2447 39.3437 -5.77898 43.9815 7.57179 TIMING: 1561200 CPU: 4643.69, 0.00296488/step Wall: 4643.69, 0.00296488/step, 2.83212 hours remaining, 207.597656 MB of memory in use. ENERGY: 1561200 710.5964 2080.8686 1966.7271 124.7633 -206672.8779 18091.6467 0.0000 0.0000 34123.6233 -149574.6525 298.0101 -183698.2758 -149472.0823 297.8959 74.7497 100.4765 557881.4696 -7.1663 -7.2321 PRESSURE: 1561400 16.0705 -52.0827 10.5083 -52.0826 -89.2682 91.0475 10.5087 91.0478 132.847 GPRESSURE: 1561400 73.5926 21.347 40.3683 -92.6472 -93.4013 181.191 -15.3071 127.417 174.884 PRESSAVG: 1561400 39.0283 41.7803 -32.0558 41.7803 -10.2361 32.3835 -32.0558 32.3834 -34.3686 GPRESSAVG: 1561400 38.7128 42.2772 -33.3728 41.1744 -9.98544 34.2393 -31.4315 30.8942 -34.883 TIMING: 1561400 CPU: 4644.28, 0.00294989/step Wall: 4644.28, 0.00294989/step, 2.81764 hours remaining, 207.597656 MB of memory in use. ENERGY: 1561400 723.2109 2109.8084 1957.1019 125.6793 -206541.0377 17985.8851 0.0000 0.0000 34223.9025 -149415.4497 298.8859 -183639.3521 -149323.1253 298.1171 19.8832 51.6919 558559.7364 -1.8588 -2.0519 PRESSURE: 1561600 153.597 -168.895 9.91517 -168.895 62.0413 86.7864 9.91518 86.7884 204.656 GPRESSURE: 1561600 212.89 -122.599 6.12439 -185.845 39.365 175.457 53.6712 8.95961 262.172 PRESSAVG: 1561600 34.2708 0.302512 7.06018 0.302522 25.6874 33.2243 7.06013 33.2243 14.5245 GPRESSAVG: 1561600 34.4322 2.79979 6.89774 -0.236468 25.1576 31.8742 7.18939 34.4462 15.3628 TIMING: 1561600 CPU: 4644.87, 0.00294967/step Wall: 4644.87, 0.00294967/step, 2.81726 hours remaining, 207.597656 MB of memory in use. ENERGY: 1561600 716.9313 2078.9009 1946.5294 100.3832 -206510.3596 17984.3699 0.0000 0.0000 34204.8293 -149478.4155 298.7193 -183683.2448 -149381.9824 298.1694 140.0981 171.4758 558137.0553 24.8276 24.9842 PRESSURE: 1561800 225.495 -30.2509 -224.601 -30.251 -73.2337 -59.1047 -224.601 -59.1057 -161.987 GPRESSURE: 1561800 223.191 -3.87149 -178.632 -36.1623 -27.5911 -24.0367 -211.991 -54.8397 -100.623 PRESSAVG: 1561800 78.4489 -47.3123 4.13101 -47.3123 -118.654 14.5874 4.13106 14.5874 11.6258 GPRESSAVG: 1561800 79.2126 -51.0421 3.73314 -45.3608 -118.701 14.889 6.52341 13.7014 11.1971 TIMING: 1561800 CPU: 4645.46, 0.0029515/step Wall: 4645.46, 0.0029515/step, 2.81885 hours remaining, 207.597656 MB of memory in use. ENERGY: 1561800 731.1501 2047.7668 1962.2477 110.3008 -206231.7755 17795.3929 0.0000 0.0000 33986.6946 -149598.2227 296.8143 -183584.9173 -149503.5304 297.7047 -3.2420 31.6592 557854.8091 -9.5263 -9.4303 PRESSURE: 1562000 -159.757 -145.867 15.438 -145.866 -160.648 -122.405 15.4378 -122.405 138.518 GPRESSURE: 1562000 -121.729 -132.285 -16.852 -185.29 -156.501 -110.177 12.632 -61.4843 192.555 PRESSAVG: 1562000 93.6636 34.8444 -3.04117 34.8443 -70.5809 2.49627 -3.04113 2.49628 -10.884 GPRESSAVG: 1562000 93.1029 37.2477 -1.08072 32.41 -69.5354 2.72664 -5.67597 1.22477 -11.3714 TIMING: 1562000 CPU: 4646.05, 0.00297962/step Wall: 4646.05, 0.00297962/step, 2.84554 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: 1562000 743.8011 2052.9814 1969.4282 121.1538 -206207.4155 17689.2531 0.0000 0.0000 34113.8046 -149516.9933 297.9243 -183630.7980 -149417.8867 297.7887 -60.6289 -28.5585 559381.6716 4.0663 4.0654 PRESSURE: 1562200 85.2843 -182.5 -0.0197253 -182.499 -120.759 30.5507 -0.0208136 30.5492 -111.471 GPRESSURE: 1562200 70.48 -165.086 50.1081 -89.1434 -49.9653 -47.2473 20.2921 27.0885 -61.5715 PRESSAVG: 1562200 32.813 -6.58262 3.26448 -6.58265 -15.8187 34.3007 3.26447 34.3007 -15.2306 GPRESSAVG: 1562200 34.2511 -5.92237 4.44291 -7.30189 -16.9068 33.0209 2.88091 36.249 -15.7125 TIMING: 1562200 CPU: 4646.64, 0.00296104/step Wall: 4646.64, 0.00296104/step, 2.82763 hours remaining, 207.597656 MB of memory in use. ENERGY: 1562200 743.1448 2039.0103 1950.1181 118.1189 -206198.7552 17874.3207 0.0000 0.0000 34208.2837 -149265.7586 298.7495 -183474.0423 -149172.2056 298.4966 -48.9821 -13.6856 559530.6647 0.5879 0.5439 PRESSURE: 1562400 -191.836 62.2105 -77.8711 62.2091 -116.03 86.7408 -77.8704 86.7407 -199.828 GPRESSURE: 1562400 -148.225 80.1697 -50.8218 78.7227 -106.721 158.807 -74.0224 146.424 -160.494 PRESSAVG: 1562400 14.599 -18.8442 -2.29277 -18.8443 53.1973 5.56001 -2.29283 5.56002 -20.2683 GPRESSAVG: 1562400 14.5221 -19.6918 -5.26741 -17.8854 52.0299 6.83488 -1.4274 5.82391 -19.0511 TIMING: 1562400 CPU: 4647.24, 0.00298008/step Wall: 4647.24, 0.00298008/step, 2.84565 hours remaining, 207.597656 MB of memory in use. ENERGY: 1562400 758.2563 2088.6487 1943.4399 107.6156 -206081.1299 17639.5487 0.0000 0.0000 34240.2981 -149303.3227 299.0290 -183543.6208 -149210.9353 298.7272 -169.2315 -138.4802 557400.0090 15.8427 15.8337 PRESSURE: 1562600 196.734 -77.4264 -64.7986 -77.4273 -195.084 61.0782 -64.7995 61.0784 52.9433 GPRESSURE: 1562600 228.151 -150.242 -186.542 -58.3628 -158.744 31.096 51.642 71.3106 86.5251 PRESSAVG: 1562600 21.897 -81.2737 19.1668 -81.2737 -8.80164 9.27585 19.1668 9.27586 -8.30236 GPRESSAVG: 1562600 21.0644 -82.6641 18.4954 -80.8278 -7.22304 8.15725 19.6083 9.19129 -8.59805 TIMING: 1562600 CPU: 4647.83, 0.00297556/step Wall: 4647.83, 0.00297556/step, 2.84116 hours remaining, 207.597656 MB of memory in use. ENERGY: 1562600 721.3347 2093.6203 1967.3816 103.6784 -205816.7318 17733.4633 0.0000 0.0000 33988.5252 -149208.7282 296.8302 -183197.2534 -149106.4359 297.8764 18.1977 51.9773 557648.3802 1.5977 1.7478 PRESSURE: 1562800 -120.045 -122.931 77.6679 -122.931 -79.8358 31.1311 77.667 31.1314 -136.039 GPRESSURE: 1562800 -78.7717 -108.97 128.79 -173.858 -7.62145 -40.9283 26.682 30.9966 -152.282 PRESSAVG: 1562800 -59.5853 -87.8369 12.875 -87.837 -42.3057 29.9679 12.8751 29.9679 86.4487 GPRESSAVG: 1562800 -58.7287 -86.8403 12.0741 -88.65 -43.9321 29.7459 12.438 28.8008 86.4416 TIMING: 1562800 CPU: 4648.42, 0.00294963/step Wall: 4648.42, 0.00294963/step, 2.81624 hours remaining, 207.597656 MB of memory in use. ENERGY: 1562800 742.6921 2096.3653 1936.1677 108.3325 -205949.8114 17647.7366 0.0000 0.0000 34219.0047 -149199.5125 298.8431 -183418.5172 -149106.2058 299.4092 -111.9731 -79.5582 558380.5454 -5.1474 -5.4064 PRESSURE: 1563000 -46.8629 31.4751 17.6223 31.476 43.1854 37.6752 17.6214 37.6758 -42.5631 GPRESSURE: 1563000 -23.6055 46.0607 -43.9367 69.9528 61.1131 46.8018 58.4035 3.06272 21.196 PRESSAVG: 1563000 -32.2255 -71.6002 12.5182 -71.6002 1.00566 36.2847 12.5181 36.2848 -10.9395 GPRESSAVG: 1563000 -32.4205 -69.5794 16.1503 -71.4311 2.4059 39.1096 11.1479 35.752 -11.7378 TIMING: 1563000 CPU: 4649.01, 0.00293765/step Wall: 4649.01, 0.00293765/step, 2.80464 hours remaining, 207.597656 MB of memory in use. ENERGY: 1563000 720.4650 2149.0544 1905.0823 110.8962 -205878.4382 17406.8114 0.0000 0.0000 34313.7620 -149272.3669 299.6706 -183586.1289 -149175.9415 298.9665 -15.4135 19.5679 556634.9440 -14.0531 -13.9175 PRESSURE: 1563200 243.38 91.6387 166.177 91.6388 -192.502 68.2512 166.176 68.2506 -69.7494 GPRESSURE: 1563200 278.94 70.1564 204.965 97.6398 -126.691 -10.2634 164.061 108.948 -74.936 PRESSAVG: 1563200 20.0302 -24.7237 49.1424 -24.7237 21.1275 46.9993 49.1425 46.9993 5.44234 GPRESSAVG: 1563200 19.7785 -27.6531 46.6962 -26.0342 21.989 46.0727 50.9314 47.0508 5.16936 TIMING: 1563200 CPU: 4649.6, 0.00295488/step Wall: 4649.6, 0.00295488/step, 2.82092 hours remaining, 207.597656 MB of memory in use. ENERGY: 1563200 686.2749 2106.7879 1945.6998 110.8613 -206062.8417 17612.7914 0.0000 0.0000 34318.0777 -149282.3486 299.7083 -183600.4262 -149189.6740 298.5928 -6.2903 25.7708 556587.2280 15.5333 15.6456 PRESSURE: 1563400 110.095 -78.9353 -78.4552 -78.9348 -256.886 -177.985 -78.4551 -177.985 136.899 GPRESSURE: 1563400 107.299 -99.0292 -54.7019 -38.1078 -166.323 -136.62 -67.3017 -149.577 142.227 PRESSAVG: 1563400 1.42051 45.4328 -28.8466 45.4328 3.76499 -7.90609 -28.8465 -7.90619 6.05029 GPRESSAVG: 1563400 1.69159 47.8501 -26.6506 45.5835 1.99952 -8.29041 -29.2538 -6.66404 7.11426 TIMING: 1563400 CPU: 4650.2, 0.00296267/step Wall: 4650.2, 0.00296267/step, 2.8282 hours remaining, 207.597656 MB of memory in use. ENERGY: 1563400 739.6231 2175.1269 1970.1437 111.8966 -205829.6813 17586.9185 0.0000 0.0000 34121.7912 -149124.1814 297.9941 -183245.9726 -149044.5226 299.1080 -3.2974 27.7342 555549.6346 3.7453 3.6018 PRESSURE: 1563600 152.395 122.592 -20.7632 122.592 -8.00402 -17.1443 -20.7614 -17.1451 133.943 GPRESSURE: 1563600 184.599 176.054 -95.5459 138.591 1.30714 4.84324 21.6325 -89.1213 187.764 PRESSAVG: 1563600 -3.19013 -23.0411 -60.5948 -23.041 -30.679 -57.8372 -60.5948 -57.8373 35.9031 GPRESSAVG: 1563600 -3.12393 -23.8216 -62.3659 -23.1733 -30.3051 -58.1225 -59.8802 -57.5372 35.278 TIMING: 1563600 CPU: 4650.79, 0.00298074/step Wall: 4650.79, 0.00298074/step, 2.84528 hours remaining, 207.597656 MB of memory in use. ENERGY: 1563600 707.7166 2081.4170 1960.9377 122.4936 -206286.1262 17831.8784 0.0000 0.0000 34413.8604 -149167.8223 300.5448 -183581.6827 -149074.9638 298.8266 92.7777 124.5566 555650.6423 0.6780 0.6163 PRESSURE: 1563800 89.1909 -44.6434 -35.9618 -44.6433 -278.137 -140.02 -35.9611 -140.02 93.9855 GPRESSURE: 1563800 139.903 -79.876 53.7381 -58.8448 -285.715 -155.56 -59.0156 -116.021 145.736 PRESSAVG: 1563800 24.6886 -8.05313 -12.9349 -8.05305 2.13488 2.09807 -12.9349 2.09804 -11.3795 GPRESSAVG: 1563800 25.658 -8.89444 -10.0541 -7.89141 1.3129 4.22958 -15.457 -0.0171392 -11.7818 TIMING: 1563800 CPU: 4651.39, 0.0029692/step Wall: 4651.39, 0.0029692/step, 2.8341 hours remaining, 207.597656 MB of memory in use. ENERGY: 1563800 778.5183 2149.5797 1923.4020 112.5801 -206067.6517 17829.4757 0.0000 0.0000 34212.7267 -149061.3692 298.7883 -183274.0959 -148964.8184 299.3598 -31.6535 -0.0255 557486.2277 5.1480 5.0631 PRESSURE: 1564000 125.975 92.6323 69.3379 92.6319 154.609 116.892 69.3363 116.892 130.825 GPRESSURE: 1564000 169.105 75.7028 93.0517 117.773 180.905 196.454 72.2991 150.409 159.457 PRESSAVG: 1564000 2.40022 -11.1299 -38.3224 -11.1299 49.2217 -8.35754 -38.3224 -8.35755 -48.4948 GPRESSAVG: 1564000 1.4332 -9.84314 -40.0736 -10.564 50.0397 -10.3053 -38.0002 -7.15554 -47.8755 TIMING: 1564000 CPU: 4651.98, 0.00295996/step Wall: 4651.98, 0.00295996/step, 2.82512 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: 1564000 734.7278 2110.2040 1975.2833 122.9403 -206518.4597 17950.7723 0.0000 0.0000 34585.7220 -149038.8099 302.0457 -183624.5320 -148943.6177 299.9904 137.1365 169.8225 556066.7795 1.0424 1.1991 PRESSURE: 1564200 -163.41 -220.49 -32.157 -220.489 -106.529 -9.58831 -32.1572 -9.58787 -209.516 GPRESSURE: 1564200 -155.352 -221.125 -45.3693 -187.874 -84.1055 23.1034 -15.6695 -66.2483 -136.177 PRESSAVG: 1564200 32.7131 -38.8022 -3.66648 -38.8022 3.01708 57.0019 -3.66649 57.0019 -9.10946 GPRESSAVG: 1564200 32.5437 -39.5593 -4.80982 -38.0799 4.08879 56.0345 -3.97873 57.9447 -10.2831 TIMING: 1564200 CPU: 4652.57, 0.00296943/step Wall: 4652.57, 0.00296943/step, 2.83399 hours remaining, 207.597656 MB of memory in use. ENERGY: 1564200 806.5180 2079.8818 1957.1658 106.8580 -205669.5510 17645.7579 0.0000 0.0000 33978.3416 -149095.0278 296.7413 -183073.3694 -148995.8368 299.3002 -159.8184 -125.2113 558908.4703 8.8736 8.7831 LDB: ============= START OF LOAD BALANCING ============== 4656 LDB: ============== END OF LOAD BALANCING =============== 4656 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4656 LDB: ============= START OF LOAD BALANCING ============== 4656.3 LDB: Largest compute 4821 load 0.024680 is 20.9% of average load 0.117990 LDB: Average compute 0.001717 is 1.5% of average load 0.117990 LDB: TIME 4656.3 LOAD: AVG 0.11799 MAX 0.199805 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.402 MB LDB: TIME 4656.3 LOAD: AVG 0.11799 MAX 0.199805 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.402 MB LDB: TIME 4656.3 LOAD: AVG 0.11799 MAX 0.199805 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4656.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4656.31 PRESSURE: 1564400 75.3944 15.9531 -96.0355 15.954 53.306 -171.24 -96.0343 -171.239 -204.353 GPRESSURE: 1564400 83.8785 -17.2764 -110.542 58.3796 140.86 -253.284 -98.495 -158.373 -206.469 PRESSAVG: 1564400 15.6641 -42.0368 -0.266227 -42.0368 35.2279 -14.8016 -0.26617 -14.8016 -18.6411 GPRESSAVG: 1564400 14.546 -40.2146 -1.29607 -44.5668 35.269 -11.9205 2.22913 -17.8787 -17.4791 TIMING: 1564400 CPU: 4653.18, 0.00303942/step Wall: 4653.18, 0.00303942/step, 2.90062 hours remaining, 205.941406 MB of memory in use. ENERGY: 1564400 748.2252 2088.3126 1951.9997 104.5203 -206066.4441 17809.8102 0.0000 0.0000 34413.7340 -148949.8419 300.5437 -183363.5760 -148850.3616 299.5455 -25.2176 6.0900 558461.4814 10.7503 10.7786 PRESSURE: 1564600 33.8798 -15.5071 -263.967 -15.5066 -181.584 72.4373 -263.966 72.436 -335.728 GPRESSURE: 1564600 70.3263 -92.9623 -316.365 7.76261 -134.108 132.727 -235.061 31.5303 -321.59 PRESSAVG: 1564600 -48.9969 -28.5341 -5.31065 -28.534 -17.9977 5.05366 -5.3107 5.05367 12.1311 GPRESSAVG: 1564600 -46.3361 -31.1721 -4.8452 -26.0736 -18.8105 3.51639 -7.02826 6.54219 11.2787 TIMING: 1564600 CPU: 4653.78, 0.00298711/step Wall: 4653.78, 0.00298711/step, 2.85053 hours remaining, 205.941406 MB of memory in use. ENERGY: 1564600 756.0330 2167.6859 1960.0839 111.0368 -206282.7864 17669.0050 0.0000 0.0000 34470.8559 -149148.0858 301.0426 -183618.9417 -149049.5386 299.5719 -161.1440 -128.4572 557502.5211 -18.2878 -17.9559 PRESSURE: 1564800 -52.6314 -221.372 172.63 -221.372 -69.9911 -19.9079 172.63 -19.9076 -137.554 GPRESSURE: 1564800 9.26189 -255.558 198.277 -210.159 11.6603 -22.4242 183.203 -74.6972 -180.181 PRESSAVG: 1564800 40.3581 -30.2866 -64.7549 -30.2866 -28.9807 10.0569 -64.7549 10.057 -10.8146 GPRESSAVG: 1564800 41.1844 -29.5564 -63.4477 -31.5138 -29.3166 9.38861 -64.125 10.314 -10.5922 TIMING: 1564800 CPU: 4654.37, 0.00296933/step Wall: 4654.37, 0.00296933/step, 2.8334 hours remaining, 205.941406 MB of memory in use. ENERGY: 1564800 724.5238 2157.5876 1966.1431 101.6114 -206244.4560 17700.4523 0.0000 0.0000 34403.1952 -149190.9427 300.4517 -183594.1380 -149090.7941 299.9767 -86.7255 -53.0862 558253.9443 0.1876 0.4252 PRESSURE: 1565000 -8.58073 80.2528 4.5677 80.2542 -83.5227 -213.142 4.56735 -213.14 -347.793 GPRESSURE: 1565000 34.2635 96.6926 15.0948 35.8932 -62.8488 -252.524 -17.7522 -214.162 -325.375 PRESSAVG: 1565000 20.5051 -44.2593 0.581038 -44.2592 30.9739 45.0666 0.580994 45.0668 -51.2082 GPRESSAVG: 1565000 19.5682 -46.4077 1.7846 -42.9523 32.5251 44.7701 -1.19531 44.5102 -51.6286 TIMING: 1565000 CPU: 4654.96, 0.00294307/step Wall: 4654.96, 0.00294307/step, 2.80818 hours remaining, 205.941406 MB of memory in use. ENERGY: 1565000 717.4669 2112.6101 1959.9312 118.3482 -206038.6527 17652.9296 0.0000 0.0000 34231.2812 -149246.0856 298.9503 -183477.3668 -149147.0798 299.1485 -146.6321 -117.9868 557709.3326 0.0903 0.1549 PRESSURE: 1565200 -65.9836 -118.964 65.4789 -118.964 -226.747 7.35835 65.4783 7.35739 -367.157 GPRESSURE: 1565200 -12.9556 13.9792 21.6513 -161.374 -267.63 25.4571 34.3467 -65.7815 -290.55 PRESSAVG: 1565200 33.6141 -51.4413 13.3993 -51.4412 -5.1951 34.7806 13.3993 34.7807 -12.8632 GPRESSAVG: 1565200 33.0437 -50.655 9.03831 -52.0957 -6.20369 35.0684 14.8594 33.6371 -11.4283 TIMING: 1565200 CPU: 4655.55, 0.00295644/step Wall: 4655.55, 0.00295644/step, 2.82077 hours remaining, 205.941406 MB of memory in use. ENERGY: 1565200 739.9185 2140.6086 1974.3393 125.6864 -206014.0255 17503.7051 0.0000 0.0000 34180.5113 -149349.2563 298.5069 -183529.7677 -149252.5995 299.1532 -219.9626 -190.3787 557601.1154 5.1853 5.1372 PRESSURE: 1565400 -199.954 -125.52 -23.3233 -125.52 -164.875 -62.4806 -23.3219 -62.4788 -487.508 GPRESSURE: 1565400 -189.012 -133.734 -57.2275 -82.1561 -115.432 -70.0632 -26.463 -87.3167 -454.388 PRESSAVG: 1565400 11.6094 -34.5079 28.5071 -34.508 -55.9891 20.4871 28.5071 20.4872 36.1803 GPRESSAVG: 1565400 11.389 -33.8343 33.638 -33.9707 -55.2802 19.174 25.0746 22.2189 35.4871 TIMING: 1565400 CPU: 4656.15, 0.00298787/step Wall: 4656.15, 0.00298787/step, 2.85059 hours remaining, 205.941406 MB of memory in use. ENERGY: 1565400 791.4461 2038.3382 1926.6694 120.9556 -205589.3369 17253.8980 0.0000 0.0000 34119.4128 -149338.6168 297.9733 -183458.0296 -149243.1339 298.8596 -284.1125 -252.9438 557749.8480 -2.7332 -2.8014 PRESSURE: 1565600 84.7578 241.826 -73.7503 241.825 -6.39941 -176.12 -73.7511 -176.118 26.0419 GPRESSURE: 1565600 92.0699 190.971 -111.14 282.877 58.264 -165.415 -79.7744 -178.006 39.9377 PRESSAVG: 1565600 36.3731 -2.53662 -66.3948 -2.53659 -23.0058 -50.2304 -66.3948 -50.2304 10.4963 GPRESSAVG: 1565600 35.1439 -1.83807 -69.7215 -2.59033 -22.9728 -49.495 -64.1643 -49.1562 11.2596 TIMING: 1565600 CPU: 4656.74, 0.00297125/step Wall: 4656.74, 0.00297125/step, 2.83457 hours remaining, 205.941406 MB of memory in use. ENERGY: 1565600 719.5813 2044.0317 1937.3203 116.0274 -205964.8175 17823.4395 0.0000 0.0000 34117.5882 -149206.8290 297.9574 -183324.4173 -149112.1254 298.9829 34.8001 63.4239 557428.0892 7.9545 7.8102 PRESSURE: 1565800 87.7993 -18.4943 154.018 -18.4945 70.1756 47.8896 154.018 47.8874 57.3283 GPRESSURE: 1565800 50.4381 -20.3193 197.933 -90.3518 100.391 -18.254 125.502 -17.7071 166.454 PRESSAVG: 1565800 -24.9608 30.398 17.9632 30.398 -6.13063 24.6307 17.9632 24.6307 18.1462 GPRESSAVG: 1565800 -23.9305 28.1667 18.7655 30.6163 -6.40329 25.6084 18.6262 24.572 18.0332 TIMING: 1565800 CPU: 4657.34, 0.00299635/step Wall: 4657.34, 0.00299635/step, 2.85835 hours remaining, 205.941406 MB of memory in use. ENERGY: 1565800 770.3399 2036.4249 1950.5214 107.9146 -205800.2557 17800.9894 0.0000 0.0000 33958.9294 -149175.1362 296.5718 -183134.0656 -149082.0218 299.4020 71.7677 105.7610 558374.6017 -4.3151 -4.1002 PRESSURE: 1566000 -268.345 -19.2396 -47.4256 -19.2394 -183.181 73.3269 -47.4261 73.326 -135.454 GPRESSURE: 1566000 -216.116 12.5932 -94.6711 -92.1789 -140.496 65.4821 36.8947 150.312 -128.969 PRESSAVG: 1566000 -52.7077 33.1505 -1.09531 33.1505 52.7704 -75.3093 -1.09537 -75.3094 3.88789 GPRESSAVG: 1566000 -52.3573 35.4563 -3.12473 32.5857 52.4466 -76.4771 1.17566 -75.4102 3.38276 TIMING: 1566000 CPU: 4657.94, 0.00298856/step Wall: 4657.94, 0.00298856/step, 2.85076 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: 1566000 741.3719 2087.8664 1932.5807 115.9190 -205629.8050 17346.0184 0.0000 0.0000 34210.9741 -149195.0745 298.7729 -183406.0486 -149105.0688 298.8207 -195.6601 -161.8603 558541.1705 1.3169 1.1574 PRESSURE: 1566200 123.703 192.101 -43.2235 192.102 141.9 -26.8758 -43.2224 -26.876 -171.757 GPRESSURE: 1566200 112.344 233.91 -39.8171 188.898 138.931 -13.2845 -123.419 21.9996 -65.3591 PRESSAVG: 1566200 -61.7589 47.1463 4.18281 47.1464 86.5704 -40.0387 4.18288 -40.0385 -9.6604 GPRESSAVG: 1566200 -62.519 46.2415 7.6148 47.3493 86.603 -40.53 1.6711 -40.2481 -8.87761 TIMING: 1566200 CPU: 4658.54, 0.00298762/step Wall: 4658.54, 0.00298762/step, 2.84969 hours remaining, 205.941406 MB of memory in use. ENERGY: 1566200 726.8888 2034.1440 1949.1378 107.6475 -205760.9021 17677.9643 0.0000 0.0000 34228.5503 -149036.5696 298.9264 -183265.1198 -148945.5208 298.4745 31.2820 61.9719 558029.0103 5.0504 5.0688 PRESSURE: 1566400 48.0112 100.821 95.3945 100.819 -109.91 39.2484 95.3952 39.2483 67.7107 GPRESSURE: 1566400 120.851 173.324 136.396 110.848 -54.349 48.7987 89.6243 93.9304 63.1665 PRESSAVG: 1566400 -40.9074 27.8891 32.8936 27.889 38.0534 3.61105 32.8937 3.61109 59.0302 GPRESSAVG: 1566400 -40.363 26.7151 29.2978 27.0056 38.0841 5.82868 35.1899 3.14132 58.2315 TIMING: 1566400 CPU: 4659.14, 0.00300116/step Wall: 4659.14, 0.00300116/step, 2.86244 hours remaining, 205.941406 MB of memory in use. ENERGY: 1566400 753.9692 2108.6563 1973.6157 109.9507 -206674.8736 18098.9619 0.0000 0.0000 34370.1967 -149259.5230 300.1635 -183629.7197 -149165.6415 299.2027 1.9374 43.2228 557488.1076 18.7254 18.6509 PRESSURE: 1566600 -204.687 -28.2045 -99.1435 -28.2027 29.1573 -3.3805 -99.1431 -3.38162 46.0643 GPRESSURE: 1566600 -206.539 1.473 -159.177 -15.2085 58.6274 -124.884 -44.2388 79.1811 102.287 PRESSAVG: 1566600 -63.6404 50.7013 -45.2317 50.7013 58.318 -77.4584 -45.2317 -77.4582 31.1395 GPRESSAVG: 1566600 -63.0808 52.4806 -44.6592 50.5982 56.7921 -79.1807 -44.9774 -77.0295 32.1463 TIMING: 1566600 CPU: 4659.73, 0.0029828/step Wall: 4659.73, 0.0029828/step, 2.84476 hours remaining, 205.941406 MB of memory in use. ENERGY: 1566600 710.1253 2086.8632 1976.1935 117.0397 -206017.0081 17737.3491 0.0000 0.0000 34245.6735 -149143.7638 299.0760 -183389.4373 -149052.0790 299.3074 -43.1550 -15.2082 558565.5782 8.6057 8.6192 PRESSURE: 1566800 -375.444 107.771 -124.948 107.771 -100.035 -151.346 -124.948 -151.346 -372.335 GPRESSURE: 1566800 -344.095 92.0694 -70.7181 108.78 -80.5512 -93.7593 -171.189 -185.757 -324.172 PRESSAVG: 1566800 21.6682 -12.7677 -28.6331 -12.7677 -0.872672 -17.4799 -28.6331 -17.4798 36.7307 GPRESSAVG: 1566800 21.1601 -12.0269 -28.7536 -13.8111 0.397506 -16.1517 -28.4705 -18.8841 35.9532 TIMING: 1566800 CPU: 4660.33, 0.00299464/step Wall: 4660.33, 0.00299464/step, 2.85589 hours remaining, 205.941406 MB of memory in use. ENERGY: 1566800 766.4512 2048.1306 1930.7523 99.9681 -205660.8363 17377.0347 0.0000 0.0000 34138.7874 -149299.7121 298.1425 -183438.4995 -149207.8500 298.9317 -282.6046 -249.6062 558384.7897 19.1754 19.1703 PRESSURE: 1567000 242.51 -3.85982 17.4926 -3.86081 226.493 182.569 17.4928 182.569 145.443 GPRESSURE: 1567000 302.784 -6.32462 14.8309 53.8839 199.675 159.235 20.2666 203.973 191.827 PRESSAVG: 1567000 35.0964 -17.8621 -49.0641 -17.862 -7.65686 35.616 -49.0642 35.616 -42.928 GPRESSAVG: 1567000 34.9528 -19.7012 -45.6267 -16.3098 -6.94439 34.8694 -54.4648 35.3426 -43.6436 TIMING: 1567000 CPU: 4660.93, 0.00300029/step Wall: 4660.93, 0.00300029/step, 2.86111 hours remaining, 205.941406 MB of memory in use. ENERGY: 1567000 725.9411 2107.2345 1936.8738 107.6989 -206234.1408 18046.6054 0.0000 0.0000 34120.6363 -149189.1507 297.9840 -183309.7870 -149099.6065 298.5834 204.8153 231.4287 556271.1537 -5.1628 -5.2117 PRESSURE: 1567200 125.954 -176.152 17.0165 -176.152 113.606 -7.85799 17.0156 -7.85942 142.141 GPRESSURE: 1567200 114.687 -131.198 20.8144 -185.024 191.715 94.7562 31.4848 -27.406 158.838 PRESSAVG: 1567200 79.7685 -10.5457 -31.5389 -10.5456 16.3982 42.1816 -31.5389 42.1817 -17.9406 GPRESSAVG: 1567200 79.7471 -12.2711 -32.5407 -8.22118 16.4464 43.5445 -28.722 42.2824 -17.6439 TIMING: 1567200 CPU: 4661.54, 0.0030225/step Wall: 4661.54, 0.0030225/step, 2.88212 hours remaining, 205.941406 MB of memory in use. ENERGY: 1567200 704.1736 2053.5517 1944.3870 125.8242 -205889.3516 17907.1609 0.0000 0.0000 34179.8608 -148974.3934 298.5012 -183154.2542 -148879.2278 299.0016 127.2335 155.0801 558344.4909 26.0754 26.1832 PRESSURE: 1567400 -140.94 91.1638 -129.071 91.1639 -228.831 -40.0459 -129.071 -40.0445 -262.195 GPRESSURE: 1567400 -123.881 201.639 -90.9536 8.52092 -172.823 -32.1807 -254.791 -64.9414 -244.559 PRESSAVG: 1567400 63.4436 -13.1637 -0.361508 -13.1637 -18.4436 63.7803 -0.361568 63.7803 -42.1112 GPRESSAVG: 1567400 63.2428 -10.4719 -0.557349 -15.1596 -19.06 64.2412 -0.499931 63.3039 -40.8359 TIMING: 1567400 CPU: 4662.14, 0.00301772/step Wall: 4662.14, 0.00301772/step, 2.8774 hours remaining, 205.941406 MB of memory in use. ENERGY: 1567400 724.6747 2092.5931 1950.9060 115.9485 -205715.8390 17461.6656 0.0000 0.0000 34371.1515 -148998.8997 300.1718 -183370.0512 -148897.6313 299.0801 -210.6556 -180.4210 558703.3466 0.9629 1.1157 PRESSURE: 1567600 -37.5985 -122.155 -8.48648 -122.156 -6.0614 3.56478 -8.48664 3.56508 -137.684 GPRESSURE: 1567600 28.2549 -97.9215 -6.04868 -78.3335 -10.9822 33.1659 26.7985 40.1099 -98.2204 PRESSAVG: 1567600 52.9541 1.20602 -6.26235 1.20596 -1.21648 49.1505 -6.26237 49.1505 -65.8426 GPRESSAVG: 1567600 53.3822 -0.219086 -7.42669 1.6984 -2.34457 50.0042 -5.26816 47.9077 -65.7075 TIMING: 1567600 CPU: 4662.74, 0.00298371/step Wall: 4662.74, 0.00298371/step, 2.84481 hours remaining, 205.941406 MB of memory in use. ENERGY: 1567600 784.3435 2026.8262 1959.7395 113.8562 -205702.8467 17747.5032 0.0000 0.0000 34234.8093 -148835.7688 298.9811 -183070.5781 -148733.5926 299.6117 -60.4479 -26.9826 558505.0316 -4.7017 -4.8899 PRESSURE: 1567800 -42.7051 -7.40548 62.9414 -7.4052 -181.644 -133.539 62.9419 -133.541 57.9894 GPRESSURE: 1567800 11.4972 -11.1319 2.94582 -22.7015 -156.12 -49.2003 52.1148 -131.259 61.8666 PRESSAVG: 1567800 31.5579 20.8044 43.3425 20.8043 -67.6906 -5.33521 43.3425 -5.33504 26.4428 GPRESSAVG: 1567800 31.6962 23.3056 44.1875 18.3749 -66.6446 -6.67852 43.708 -2.10306 25.264 TIMING: 1567800 CPU: 4663.34, 0.00299022/step Wall: 4663.34, 0.00299022/step, 2.85085 hours remaining, 205.941406 MB of memory in use. ENERGY: 1567800 719.7318 2081.5264 1956.1304 109.6377 -205410.0588 17600.1762 0.0000 0.0000 34103.0493 -148839.8069 297.8304 -182942.8562 -148746.9369 299.7270 -55.4533 -27.5855 559388.2384 -3.2300 -3.2281 PRESSURE: 1568000 75.1187 -15.1407 15.9417 -15.1405 297.717 116.917 15.9404 116.918 53.8036 GPRESSURE: 1568000 127.138 -32.6465 33.5116 18.7784 324.233 196.006 -24.1867 37.7704 74.633 PRESSAVG: 1568000 39.8312 49.4479 20.9362 49.4478 29.6768 42.3363 20.9362 42.3362 -1.329 GPRESSAVG: 1568000 39.0262 47.9297 20.4227 51.4565 30.0983 41.3317 19.1365 40.1273 -0.458523 TIMING: 1568000 CPU: 4663.93, 0.00297686/step Wall: 4663.93, 0.00297686/step, 2.83794 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: 1568000 721.6205 2044.2067 1926.2782 113.8446 -206112.2995 17959.2307 0.0000 0.0000 34532.7768 -148814.3421 301.5833 -183347.1189 -148707.0754 300.3777 142.2132 175.3345 558009.4522 22.7263 22.8886 PRESSURE: 1568200 -16.4631 114.304 143.622 114.304 203.934 53.0041 143.622 53.0031 -21.2292 GPRESSURE: 1568200 28.3116 133.993 94.567 76.0121 239.268 -7.56985 166.458 -8.6354 -3.73262 PRESSAVG: 1568200 -33.2808 49.2052 8.21511 49.2051 45.8512 73.354 8.21513 73.354 10.8809 GPRESSAVG: 1568200 -32.577 48.0961 7.40136 49.1368 44.7125 72.7183 9.28984 73.5956 11.0065 TIMING: 1568200 CPU: 4664.53, 0.00299298/step Wall: 4664.53, 0.00299298/step, 2.85314 hours remaining, 205.941406 MB of memory in use. ENERGY: 1568200 726.2639 2048.3180 1919.6442 113.4199 -206070.1188 17872.4309 0.0000 0.0000 34424.7166 -148965.3253 300.6396 -183390.0419 -148871.5149 300.6628 55.4140 87.9489 557211.7137 7.8171 7.7140 LDB: ============= START OF LOAD BALANCING ============== 4667.96 LDB: ============== END OF LOAD BALANCING =============== 4667.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4667.96 LDB: ============= START OF LOAD BALANCING ============== 4668.26 LDB: Largest compute 4821 load 0.024455 is 20.7% of average load 0.117981 LDB: Average compute 0.001707 is 1.4% of average load 0.117981 LDB: TIME 4668.26 LOAD: AVG 0.117981 MAX 0.202312 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 4668.26 LOAD: AVG 0.117981 MAX 0.202312 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 4668.26 LOAD: AVG 0.117981 MAX 0.202312 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4668.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4668.27 PRESSURE: 1568400 -181.353 126.368 -27.9955 126.368 -23.9239 74.6161 -27.9954 74.6147 196.296 GPRESSURE: 1568400 -181.753 190.444 -126.352 25.7734 41.786 112.064 1.27778 35.8858 218.546 PRESSAVG: 1568400 -84.7275 34.2278 -15.4306 34.2277 39.0681 37.1959 -15.4307 37.1959 17.8294 GPRESSAVG: 1568400 -84.7575 36.1017 -15.3348 35.1 39.287 39.5977 -14.4713 37.0198 17.6617 TIMING: 1568400 CPU: 4665.14, 0.00303207/step Wall: 4665.14, 0.00303207/step, 2.89024 hours remaining, 208.761719 MB of memory in use. ENERGY: 1568400 799.6028 2020.5736 1927.7817 110.2425 -206146.9797 17843.2767 0.0000 0.0000 34473.1901 -148972.3123 301.0629 -183445.5024 -148882.4971 300.2503 -2.9936 26.1929 557250.6804 -9.2767 -9.2696 PRESSURE: 1568600 -30.3579 -109.352 -3.28324 -109.353 -229.851 16.8276 -3.28541 16.8281 -300.998 GPRESSURE: 1568600 -53.8074 -122.546 -95.4578 17.9072 -177.384 96.7297 0.0114055 -41.7977 -230.671 PRESSAVG: 1568600 -10.5593 -9.20136 -28.4665 -9.20138 6.881 62.1376 -28.4664 62.1375 -23.519 GPRESSAVG: 1568600 -10.6492 -9.44849 -26.3956 -8.06245 7.21813 63.1898 -30.1306 62.7197 -24.1231 TIMING: 1568600 CPU: 4665.73, 0.00296687/step Wall: 4665.73, 0.00296687/step, 2.82792 hours remaining, 208.761719 MB of memory in use. ENERGY: 1568600 758.9268 2054.1174 1961.8484 109.3860 -205924.9933 17490.4555 0.0000 0.0000 34435.4283 -149114.8310 300.7332 -183550.2594 -149016.6636 299.8312 -187.0689 -153.9541 557371.8869 -9.0657 -9.1848 PRESSURE: 1568800 353.937 -4.90847 -69.0269 -4.90808 -73.1117 172.034 -69.0279 172.033 -36.4451 GPRESSURE: 1568800 404.807 -63.1154 -85.7617 -68.8675 -6.91339 106.906 -41.11 235.982 -46.5348 PRESSAVG: 1568800 16.3909 -49.8703 -12.7191 -49.8702 -67.8305 37.6952 -12.719 37.6953 -5.15164 GPRESSAVG: 1568800 15.8591 -48.8755 -16.9374 -53.0937 -69.0804 34.1761 -10.1723 39.1215 -3.51436 TIMING: 1568800 CPU: 4666.33, 0.0029909/step Wall: 4666.33, 0.0029909/step, 2.85066 hours remaining, 208.761719 MB of memory in use. ENERGY: 1568800 684.6032 2078.4517 1963.9384 106.4932 -206165.8124 17832.4996 0.0000 0.0000 34266.5842 -149233.2420 299.2586 -183499.8262 -149137.2628 299.0554 81.4601 117.1197 555920.8187 -18.8638 -18.9119 PRESSURE: 1569000 -429.383 -129.758 -150.768 -129.758 -365.944 243.229 -150.768 243.229 -38.1275 GPRESSURE: 1569000 -430.922 -146.672 -177.541 -92.7176 -325.483 265.963 -102.589 271.366 26.2132 PRESSAVG: 1569000 -12.1743 -42.2222 -10.5967 -42.2222 8.30425 86.4972 -10.5968 86.4973 77.1835 GPRESSAVG: 1569000 -12.4188 -45.698 -7.94708 -38.4612 9.87621 91.0382 -12.9354 83.8074 75.9014 TIMING: 1569000 CPU: 4666.93, 0.00299378/step Wall: 4666.93, 0.00299378/step, 2.85324 hours remaining, 208.761719 MB of memory in use. ENERGY: 1569000 745.9195 2046.3684 1945.8977 104.5770 -205877.4399 17438.3179 0.0000 0.0000 34366.1181 -149230.2413 300.1279 -183596.3594 -149133.6016 299.5292 -277.8182 -243.3975 556237.9322 24.4378 24.4529 PRESSURE: 1569200 -219.272 -7.22008 2.14349 -7.22101 -20.8069 146.09 2.14434 146.09 229.326 GPRESSURE: 1569200 -196.453 -34.1438 4.3036 -25.0307 53.7085 118.167 15.0686 214.183 236.789 PRESSAVG: 1569200 16.0383 -75.007 5.92191 -75.0069 -30.454 24.9578 5.92191 24.9578 -15.0635 GPRESSAVG: 1569200 16.3095 -72.8414 5.89117 -77.028 -30.8738 20.5753 7.01866 27.3999 -14.9318 TIMING: 1569200 CPU: 4667.53, 0.00300895/step Wall: 4667.53, 0.00300895/step, 2.86753 hours remaining, 208.761719 MB of memory in use. ENERGY: 1569200 745.7482 2080.9560 1923.8643 109.7110 -205783.7283 17732.8424 0.0000 0.0000 34252.7590 -148937.8474 299.1379 -183190.6063 -148841.2149 299.4988 -3.5843 31.3481 556476.0814 -9.8264 -9.8320 PRESSURE: 1569400 -115.005 119.206 -84.9278 119.206 -281.15 32.0495 -84.9273 32.0511 -68.8586 GPRESSURE: 1569400 -68.9394 168.311 -48.57 7.64291 -251.09 115.915 -232.759 10.766 -43.6613 PRESSAVG: 1569400 -30.9473 62.1329 -43.0831 62.133 -15.1772 26.5839 -43.0831 26.5838 29.5754 GPRESSAVG: 1569400 -31.5875 62.0503 -43.8021 62.8147 -14.6608 29.3717 -43.9948 25.7069 29.477 TIMING: 1569400 CPU: 4668.13, 0.00302274/step Wall: 4668.13, 0.00302274/step, 2.88051 hours remaining, 208.761719 MB of memory in use. ENERGY: 1569400 729.3137 2050.8826 1936.2432 120.7678 -205917.8228 17630.9562 0.0000 0.0000 34354.8203 -149094.8391 300.0292 -183449.6594 -148993.5427 299.3507 -155.0044 -121.2303 557580.8623 -5.5164 -5.5904 PRESSURE: 1569600 14.8727 10.5123 -94.3105 10.5126 97.5144 -87.0206 -94.3106 -87.0233 77.6826 GPRESSURE: 1569600 12.0258 24.8436 -21.1816 -20.3602 180.257 -104.282 -131.987 -86.5095 106.122 PRESSAVG: 1569600 -2.37272 -16.2068 38.9763 -16.2069 7.34417 58.6415 38.9764 58.6416 -40.9355 GPRESSAVG: 1569600 -2.86027 -16.5277 36.7233 -15.9939 7.87151 57.3477 41.1474 58.3483 -40.9007 TIMING: 1569600 CPU: 4668.73, 0.00300665/step Wall: 4668.73, 0.00300665/step, 2.865 hours remaining, 208.761719 MB of memory in use. ENERGY: 1569600 716.1270 2086.5899 1931.6680 94.1369 -206225.4587 17764.2411 0.0000 0.0000 34346.3208 -149286.3749 299.9550 -183632.6958 -149191.6547 298.6954 63.3566 99.4685 557216.1666 -11.9880 -11.9632 PRESSURE: 1569800 34.3811 180.453 -159.626 180.453 -156.672 -94.1421 -159.628 -94.1411 91.6914 GPRESSURE: 1569800 78.4222 196.559 -146.217 198.173 -151.799 -66.3458 -114.568 -226.186 148.245 PRESSAVG: 1569800 -7.81432 -9.26925 10.5212 -9.26918 -37.4126 21.1833 10.5212 21.1833 45.7427 GPRESSAVG: 1569800 -5.41563 -9.13991 13.2002 -7.57072 -39.2065 21.393 9.55181 20.2733 45.5996 TIMING: 1569800 CPU: 4669.33, 0.00300091/step Wall: 4669.33, 0.00300091/step, 2.85936 hours remaining, 208.761719 MB of memory in use. ENERGY: 1569800 754.6293 2062.9353 1903.5766 103.8399 -205959.1055 17768.5650 0.0000 0.0000 33990.5724 -149374.9870 296.8481 -183365.5594 -149274.9984 298.5769 -10.2000 24.9560 556905.2809 0.1719 0.3259 PRESSURE: 1570000 -232.309 -90.4937 6.13511 -90.4933 -163.579 87.4056 6.13475 87.4059 -168.031 GPRESSURE: 1570000 -160.619 -87.0174 49.2533 -83.3546 -162.221 81.5255 -26.8782 83.7557 -145.801 PRESSAVG: 1570000 44.0488 -19.3982 32.3644 -19.3982 -14.9669 8.60976 32.3644 8.60978 -33.8192 GPRESSAVG: 1570000 42.6353 -19.6228 33.0652 -20.6507 -13.8644 8.6103 30.8975 8.34894 -33.6163 TIMING: 1570000 CPU: 4669.93, 0.0029956/step Wall: 4669.93, 0.0029956/step, 2.85414 hours remaining, 208.761719 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: 1570000 754.8589 2058.3863 1952.1927 117.0954 -206048.2518 17616.1268 0.0000 0.0000 34201.0538 -149348.5380 298.6863 -183549.5918 -149252.5917 298.3996 -187.9729 -156.2137 556055.2178 -1.5791 -1.6151 PRESSURE: 1570200 -140.643 66.8664 53.5616 66.8673 14.8927 -82.1629 53.5626 -82.164 -210.308 GPRESSURE: 1570200 -95.5947 16.4852 63.217 60.254 39.2364 -83.9409 93.2512 -114.451 -181.958 PRESSAVG: 1570200 81.3943 4.80103 18.7894 4.80097 -71.7024 22.5257 18.7894 22.5257 27.9316 GPRESSAVG: 1570200 83.0008 6.27071 17.2804 2.83005 -72.9403 23.2124 21.2647 22.0898 27.9232 TIMING: 1570200 CPU: 4670.53, 0.00299912/step Wall: 4670.53, 0.00299912/step, 2.85733 hours remaining, 208.761719 MB of memory in use. ENERGY: 1570200 788.7669 2090.7414 1938.7536 97.1883 -206180.2134 17680.9917 0.0000 0.0000 34118.8979 -149464.8736 297.9688 -183583.7716 -149372.1909 299.1376 -112.0195 -79.4389 556546.1799 12.5412 12.6613 PRESSURE: 1570400 152.935 57.7952 14.9077 57.7939 274.172 -110.882 14.9075 -110.882 -160.958 GPRESSURE: 1570400 155.786 68.0846 -12.4626 37.0748 276.806 -96.8052 -51.6183 -6.41917 -73.5204 PRESSAVG: 1570400 -2.09318 1.89006 -11.092 1.89006 51.3991 -29.3029 -11.0921 -29.3029 -33.9026 GPRESSAVG: 1570400 -3.12904 1.6159 -9.50248 2.23763 53.6519 -29.6062 -13.1648 -26.9573 -34.7876 TIMING: 1570400 CPU: 4671.13, 0.00298618/step Wall: 4671.13, 0.00298618/step, 2.84484 hours remaining, 208.761719 MB of memory in use. ENERGY: 1570400 721.5520 2095.1331 1955.7626 118.9338 -206411.6171 17947.2686 0.0000 0.0000 34394.0048 -149178.9621 300.3714 -183572.9669 -149073.3058 299.4381 88.7162 119.6906 557696.9326 5.1344 5.2451 PRESSURE: 1570600 -169.273 45.5877 -48.898 45.5878 -109.397 105.993 -48.8987 105.994 -0.817208 GPRESSURE: 1570600 -160.657 38.146 -1.16391 87.7251 -37.8225 12.7263 -59.0432 146.847 16.2455 PRESSAVG: 1570600 -49.0861 16.9902 16.2033 16.9902 -0.021624 3.6285 16.2033 3.62851 29.9373 GPRESSAVG: 1570600 -48.5897 16.907 16.3863 16.1644 -2.09238 3.81933 16.6027 3.2946 31.6364 TIMING: 1570600 CPU: 4671.73, 0.00299468/step Wall: 4671.73, 0.00299468/step, 2.85276 hours remaining, 208.761719 MB of memory in use. ENERGY: 1570600 749.6367 2064.1769 1939.4486 112.2516 -206005.6199 17717.1846 0.0000 0.0000 34236.6186 -149186.3028 298.9969 -183422.9215 -149087.2190 299.4110 -93.1625 -60.7446 559507.3980 -6.3901 -6.3486 PRESSURE: 1570800 -371.932 -124.122 -187.562 -124.122 -110.957 -35.6131 -187.563 -35.614 -15.3075 GPRESSURE: 1570800 -327.766 -57.8696 -239.577 -139.639 -80.5532 6.63141 -143.042 -46.1025 13.3402 PRESSAVG: 1570800 11.6191 2.98934 -22.5542 2.98938 -1.11285 26.0808 -22.5541 26.0808 -21.2492 GPRESSAVG: 1570800 11.0272 4.19125 -23.509 4.25191 0.652688 26.6819 -21.907 23.8984 -21.753 TIMING: 1570800 CPU: 4672.33, 0.00298887/step Wall: 4672.33, 0.00298887/step, 2.84706 hours remaining, 208.761719 MB of memory in use. ENERGY: 1570800 724.8127 2085.6114 1943.8476 119.3764 -206081.4043 17749.4243 0.0000 0.0000 34292.7255 -149165.6063 299.4869 -183458.3319 -149073.6740 299.4471 -166.0654 -131.6596 559052.8916 -3.5810 -3.3577 PRESSURE: 1571000 -29.1877 83.2148 -83.2223 83.2147 -179.945 -31.0603 -83.2212 -31.0596 63.6365 GPRESSURE: 1571000 2.37345 56.6889 -127.416 118.875 -191.993 -39.5053 -111.405 31.7471 125.883 PRESSAVG: 1571000 24.3306 49.7243 36.6646 49.7244 -34.4813 56.4978 36.6645 56.4979 11.9497 GPRESSAVG: 1571000 25.2441 48.5541 36.9022 48.657 -34.9841 57.229 37.2624 56.8985 11.491 TIMING: 1571000 CPU: 4672.92, 0.002975/step Wall: 4672.92, 0.002975/step, 2.83369 hours remaining, 208.761719 MB of memory in use. ENERGY: 1571000 723.1859 2078.5382 1942.3971 110.4384 -206282.7230 17740.5763 0.0000 0.0000 34441.7072 -149245.8799 300.7880 -183687.5872 -149149.2992 299.2383 -48.4987 -21.2456 558314.6381 0.5997 0.5837 PRESSURE: 1571200 -102.708 4.65008 -149.292 4.64818 90.7517 133.94 -149.292 133.941 -212.261 GPRESSURE: 1571200 -30.7047 -25.4198 -118.389 35.3232 75.6319 160.895 -152.131 151.388 -165.408 PRESSAVG: 1571200 30.3501 14.1637 -2.91031 14.1637 41.3812 -14.3985 -2.91033 -14.3985 -73.5053 GPRESSAVG: 1571200 29.8239 13.2328 -2.20094 15.781 42.0929 -16.8288 -3.1588 -11.2378 -73.3371 TIMING: 1571200 CPU: 4673.52, 0.00297961/step Wall: 4673.52, 0.00297961/step, 2.83792 hours remaining, 208.761719 MB of memory in use. ENERGY: 1571200 725.5055 2097.6592 1930.2450 110.0172 -205940.7485 17727.1361 0.0000 0.0000 34109.6170 -149240.5685 297.8878 -183350.1855 -149151.4378 298.8802 -74.7388 -40.1601 558739.5777 -0.5913 -0.4734 PRESSURE: 1571400 -152.642 32.6219 84.4058 32.6218 -16.034 -8.33879 84.4047 -8.33879 -209.583 GPRESSURE: 1571400 -156.229 28.7227 38.3164 31.8863 22.563 98.6872 65.9519 -72.9421 -141.643 PRESSAVG: 1571400 24.3908 -25.473 -13.4284 -25.473 17.6462 -8.88116 -13.4283 -8.88116 -45.8823 GPRESSAVG: 1571400 24.3452 -22.8199 -13.5758 -25.1852 16.7421 -7.40218 -15.1595 -10.602 -44.7725 TIMING: 1571400 CPU: 4674.11, 0.00298003/step Wall: 4674.11, 0.00298003/step, 2.83815 hours remaining, 208.761719 MB of memory in use. ENERGY: 1571400 754.1158 2047.0921 1938.1056 102.5049 -205681.2915 17630.3104 0.0000 0.0000 34179.1909 -149029.9718 298.4954 -183209.1627 -148931.3518 299.1134 -126.0863 -91.7695 559043.8947 -1.2818 -1.2284 PRESSURE: 1571600 40.3886 -51.0489 72.6664 -51.0493 153.615 61.0571 72.6668 61.0597 161.133 GPRESSURE: 1571600 74.3902 -97.6523 125.076 35.382 189.477 -8.5274 78.7472 88.4753 179.492 PRESSAVG: 1571600 -40.9148 -16.9484 1.52305 -16.9484 15.0534 10.6797 1.52297 10.6798 24.6762 GPRESSAVG: 1571600 -40.3912 -18.9889 1.17121 -16.1668 14.5396 9.48372 2.17756 10.723 24.7003 TIMING: 1571600 CPU: 4674.71, 0.00297576/step Wall: 4674.71, 0.00297576/step, 2.83391 hours remaining, 208.761719 MB of memory in use. ENERGY: 1571600 713.8199 2131.6937 1921.9821 114.0282 -206182.1534 18034.8850 0.0000 0.0000 34045.4923 -149220.2523 297.3278 -183265.7445 -149122.5004 299.6358 118.3791 147.7864 558385.4279 -0.3951 -0.3838 PRESSURE: 1571800 234.063 -92.6722 157.02 -92.6721 37.671 20.9082 157.02 20.9087 216.69 GPRESSURE: 1571800 264.658 -141.593 154.539 -91.6981 81.6013 -0.520333 184.004 8.67871 235.437 PRESSAVG: 1571800 -30.9427 20.8968 11.1868 20.8967 -2.41535 -16.0563 11.1868 -16.0563 31.2647 GPRESSAVG: 1571800 -30.2765 24.2605 12.3037 18.0819 -1.84158 -15.4203 12.1018 -16.8849 29.5587 TIMING: 1571800 CPU: 4675.31, 0.00299817/step Wall: 4675.31, 0.00299817/step, 2.85509 hours remaining, 208.761719 MB of memory in use. ENERGY: 1571800 736.2158 2112.8828 1914.8933 104.6527 -206638.4738 18249.0413 0.0000 0.0000 34291.8463 -149228.9415 299.4792 -183520.7878 -149126.2731 299.5845 162.8079 193.8988 558563.0073 -0.6978 -0.8532 PRESSURE: 1572000 -1.00557 48.9812 -60.6312 48.9806 -51.4253 55.7483 -60.6317 55.7487 -106.654 GPRESSURE: 1572000 51.5227 58.7926 112.016 70.0927 -33.9461 68.949 -149.308 182.456 -89.7651 PRESSAVG: 1572000 -12.3645 1.25605 41.2554 1.2561 -47.9522 -11.2798 41.2553 -11.2799 36.0458 GPRESSAVG: 1572000 -13.1363 -1.92684 40.6188 5.36674 -48.5768 -11.0728 41.2294 -10.1181 37.235 TIMING: 1572000 CPU: 4675.9, 0.00297955/step Wall: 4675.9, 0.00297955/step, 2.8372 hours remaining, 208.761719 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: 1572000 730.8160 2105.3351 1949.0600 100.9747 -205954.2159 17644.0139 0.0000 0.0000 34259.2857 -149164.7306 299.1949 -183424.0162 -149069.6390 298.9600 -53.0282 -24.0628 557123.1921 -8.0903 -8.1594 PRESSURE: 1572200 -124.24 -166.184 41.4288 -166.184 -287.733 -96.1795 41.428 -96.1802 -84.8749 GPRESSURE: 1572200 -71.7485 -106.685 5.82992 -192.579 -276.262 -145.096 142.024 -87.8883 -47.3349 PRESSAVG: 1572200 20.5181 15.4541 2.07287 15.4541 -0.533599 20.1441 2.07291 20.144 -21.378 GPRESSAVG: 1572200 21.7806 17.3527 1.86544 12.1857 -0.0392192 21.1608 0.363232 18.673 -22.3587 TIMING: 1572200 CPU: 4676.5, 0.00299393/step Wall: 4676.5, 0.00299393/step, 2.85072 hours remaining, 208.761719 MB of memory in use. ENERGY: 1572200 757.6495 2053.5427 1950.6226 120.8613 -206106.9175 17605.0068 0.0000 0.0000 34385.0751 -149234.1594 300.2934 -183619.2345 -149134.0728 299.3488 -165.6161 -131.7816 558161.8598 -0.4645 -0.2058 LDB: ============= START OF LOAD BALANCING ============== 4679.93 LDB: ============== END OF LOAD BALANCING =============== 4679.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4679.93 LDB: ============= START OF LOAD BALANCING ============== 4680.23 LDB: Largest compute 4821 load 0.026470 is 22.4% of average load 0.118002 LDB: Average compute 0.001716 is 1.5% of average load 0.118002 LDB: TIME 4680.23 LOAD: AVG 0.118002 MAX 0.199791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.5 MB LDB: TIME 4680.23 LOAD: AVG 0.118002 MAX 0.199791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.504 MB LDB: TIME 4680.23 LOAD: AVG 0.118002 MAX 0.199791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.504 MB LDB: ============== END OF LOAD BALANCING =============== 4680.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4680.24 PRESSURE: 1572400 -157.96 87.6709 51.895 87.6721 41.4873 -93.6248 51.895 -93.6252 0.804853 GPRESSURE: 1572400 -128.09 108.431 24.7388 54.9128 67.3941 -93.4678 59.6443 -40.3502 34.7352 PRESSAVG: 1572400 1.99743 26.433 31.6059 26.433 49.2615 -39.7112 31.606 -39.7112 -0.719642 GPRESSAVG: 1572400 1.02136 24.3074 31.3645 27.9091 49.8661 -39.5928 32.4453 -39.3257 0.0608113 TIMING: 1572400 CPU: 4677.11, 0.00303513/step Wall: 4677.11, 0.00303513/step, 2.88978 hours remaining, 207.277344 MB of memory in use. ENERGY: 1572400 706.0157 2044.1823 1949.9423 122.2979 -206134.6110 17564.3256 0.0000 0.0000 34421.6138 -149326.2334 300.6125 -183747.8472 -149229.8226 299.6853 -38.5560 -8.6535 557094.8927 16.8464 16.9828 PRESSURE: 1572600 10.9054 1.2572 48.6961 1.25697 2.72783 -264.565 48.6957 -264.566 31.3516 GPRESSURE: 1572600 87.5635 12.1336 55.5026 -38.2382 15.3368 -302.944 10.177 -235.93 32.7394 PRESSAVG: 1572600 6.19895 5.67837 10.1213 5.67839 -24.4602 -49.0227 10.1214 -49.0227 23.4165 GPRESSAVG: 1572600 5.94385 6.59184 11.2474 6.02859 -25.3068 -49.1665 8.35839 -50.0332 23.8385 TIMING: 1572600 CPU: 4677.71, 0.00300708/step Wall: 4677.71, 0.00300708/step, 2.86291 hours remaining, 207.277344 MB of memory in use. ENERGY: 1572600 735.0802 2105.2779 1911.3597 111.9271 -206450.8800 17852.7490 0.0000 0.0000 34287.2364 -149447.2496 299.4390 -183734.4860 -149346.9234 298.6102 14.9949 45.2132 556014.5731 1.7184 1.4919 PRESSURE: 1572800 -78.0941 -107.705 68.1948 -107.706 -59.0306 85.9586 68.1945 85.9575 -64.0484 GPRESSURE: 1572800 -70.3622 -85.638 35.1996 -188.763 -18.3599 31.8065 87.9925 80.5359 -10.5564 PRESSAVG: 1572800 -20.5566 -31.6763 -37.0113 -31.6762 -13.2162 -29.8627 -37.0112 -29.8626 29.8872 GPRESSAVG: 1572800 -21.1499 -29.9602 -38.8503 -33.5572 -12.471 -27.0246 -36.4403 -30.3591 30.2573 TIMING: 1572800 CPU: 4678.31, 0.00300089/step Wall: 4678.31, 0.00300089/step, 2.85684 hours remaining, 207.277344 MB of memory in use. ENERGY: 1572800 770.6376 1997.3851 1942.9772 99.8587 -206228.8774 17828.7016 0.0000 0.0000 34074.5703 -149514.7468 297.5817 -183589.3172 -149418.4964 298.5405 -67.0577 -33.0928 555897.3162 -1.2952 -1.1212 PRESSURE: 1573000 53.21 -34.4547 -166.469 -34.4552 -484.062 33.259 -166.469 33.2572 -54.6495 GPRESSURE: 1573000 96.7074 -69.0038 -115.489 -168.011 -444.309 17.7307 -165.272 47.8846 -34.8625 PRESSAVG: 1573000 -4.42559 -13.2746 -18.6068 -13.2747 38.4592 6.47326 -18.6069 6.47324 -4.27974 GPRESSAVG: 1573000 -2.61847 -15.913 -20.5778 -11.2621 38.4439 4.86932 -16.0569 8.52023 -6.04728 TIMING: 1573000 CPU: 4678.92, 0.00302382/step Wall: 4678.92, 0.00302382/step, 2.87851 hours remaining, 207.277344 MB of memory in use. ENERGY: 1573000 735.1972 2038.5374 1952.0709 101.8992 -206242.4687 17710.3408 0.0000 0.0000 34090.1439 -149614.2793 297.7177 -183704.4232 -149513.1186 298.0678 -161.8338 -127.4880 557159.6171 9.9180 9.9261 PRESSURE: 1573200 -29.8394 34.6434 115.072 34.6421 -38.5684 308.956 115.072 308.955 -64.7324 GPRESSURE: 1573200 -8.60147 51.7845 143.245 32.922 -16.6851 261.006 140.957 314.226 -7.23474 PRESSAVG: 1573200 14.28 -27.5245 13.1828 -27.5244 -30.833 2.33327 13.1827 2.33339 20.3637 GPRESSAVG: 1573200 13.3785 -23.7718 14.7162 -28.8264 -31.0906 0.834193 11.4918 1.77669 21.3694 TIMING: 1573200 CPU: 4679.51, 0.00298381/step Wall: 4679.51, 0.00298381/step, 2.84026 hours remaining, 207.277344 MB of memory in use. ENERGY: 1573200 713.3389 2100.4623 1909.4169 109.2859 -206428.9770 17913.5913 0.0000 0.0000 34170.2786 -149512.6033 298.4175 -183682.8819 -149410.0815 297.9028 -44.3801 -10.8404 556829.4456 1.2702 1.2191 PRESSURE: 1573400 23.1088 12.2807 -96.8703 12.2808 -82.8829 66.2976 -96.8694 66.2973 -93.1724 GPRESSURE: 1573400 71.6436 -83.9151 -138.64 79.9053 -29.826 -29.7106 -58.084 150.495 -108.709 PRESSAVG: 1573400 7.29182 -12.3445 12.4177 -12.3445 -63.7407 5.7038 12.4178 5.70389 89.1758 GPRESSAVG: 1573400 5.77909 -14.4805 12.3099 -13.8706 -63.083 5.6824 12.9798 6.75204 89.2669 TIMING: 1573400 CPU: 4680.11, 0.00300038/step Wall: 4680.11, 0.00300038/step, 2.85587 hours remaining, 207.277344 MB of memory in use. ENERGY: 1573400 733.6009 2076.6420 1905.2375 116.6186 -206191.8362 17712.8892 0.0000 0.0000 34291.7063 -149355.1417 299.4780 -183646.8480 -149260.6306 298.6507 -50.9821 -22.2972 557868.0724 10.9090 10.6543 PRESSURE: 1573600 -126.571 -72.2688 29.0439 -72.2688 -96.1674 134.561 29.0461 134.56 -274.852 GPRESSURE: 1573600 -100.747 -82.2363 6.33662 -46.8194 -87.518 122.8 106.212 90.4465 -207.044 PRESSAVG: 1573600 32.5909 21.5897 38.2974 21.5896 1.80307 -51.844 38.2974 -51.8439 -34.389 GPRESSAVG: 1573600 34.0928 22.1388 35.7815 23.8862 1.20082 -50.4586 39.2156 -54.1353 -35.2323 TIMING: 1573600 CPU: 4680.71, 0.00298019/step Wall: 4680.71, 0.00298019/step, 2.83648 hours remaining, 207.277344 MB of memory in use. ENERGY: 1573600 767.1218 2118.6382 1917.3093 108.7489 -205922.7023 17671.5777 0.0000 0.0000 34071.6972 -149267.6092 297.5566 -183339.3064 -149170.3236 299.3795 -165.8634 -131.7697 558699.5247 0.0017 0.0204 PRESSURE: 1573800 -230.88 71.3904 -172.404 71.3902 -211.742 146.4 -172.404 146.4 131.911 GPRESSURE: 1573800 -180.872 48.9133 -219.822 2.6031 -202.107 83.6209 -126.231 157.43 161.911 PRESSAVG: 1573800 55.4574 4.73229 -6.20333 4.73233 -85.9898 59.1594 -6.2033 59.1594 9.20117 GPRESSAVG: 1573800 55.6027 1.42096 -3.05636 6.49005 -85.4922 58.9408 -6.50032 60.2193 8.7703 TIMING: 1573800 CPU: 4681.31, 0.00299909/step Wall: 4681.31, 0.00299909/step, 2.8543 hours remaining, 207.277344 MB of memory in use. ENERGY: 1573800 759.3486 2146.9131 1943.5681 116.5280 -206495.3340 17873.6163 0.0000 0.0000 34337.6487 -149317.7111 299.8792 -183655.3598 -149220.6330 298.7709 -103.5701 -73.6895 558584.0398 -7.1104 -7.0397 PRESSURE: 1574000 -30.6984 29.6661 -205.298 29.6659 -219.765 -137.287 -205.299 -137.285 -210.45 GPRESSURE: 1574000 29.4163 104.562 -170.313 -30.6478 -200.848 -118.524 -175.009 -156.665 -176.988 PRESSAVG: 1574000 -3.85335 27.4132 15.815 27.4131 -40.2492 -3.36927 15.8149 -3.36925 79.425 GPRESSAVG: 1574000 -4.33428 31.147 14.1407 24.5262 -39.9455 -4.35368 16.5065 -2.46295 79.4729 TIMING: 1574000 CPU: 4681.91, 0.00300751/step Wall: 4681.91, 0.00300751/step, 2.86215 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: 1574000 713.4619 2138.8367 1923.3691 114.4388 -205932.6166 17466.0210 0.0000 0.0000 34406.7909 -149169.6982 300.4831 -183576.4891 -149078.7305 298.5201 -153.6380 -116.1399 557588.4049 11.7741 11.7310 PRESSURE: 1574200 72.0297 -33.0653 -12.6909 -33.0656 -120.171 -188.542 -12.6915 -188.542 -78.1074 GPRESSURE: 1574200 118.25 18.2278 17.8239 -2.17012 -130.619 -245.576 44.6026 -118.193 -15.4941 PRESSAVG: 1574200 35.8968 86.8913 -6.03206 86.8914 -38.9253 -73.6612 -6.03205 -73.6613 33.6104 GPRESSAVG: 1574200 37.0644 86.2063 -3.66494 88.3063 -40.248 -71.4871 -6.50301 -74.4503 33.8885 TIMING: 1574200 CPU: 4682.51, 0.00301568/step Wall: 4682.51, 0.00301568/step, 2.86975 hours remaining, 207.277344 MB of memory in use. ENERGY: 1574200 775.5631 2094.6740 1960.2091 110.2388 -206522.3436 17887.4270 0.0000 0.0000 34239.0669 -149455.1646 299.0183 -183694.2316 -149354.6476 299.6489 -42.0829 -9.2876 556575.8897 10.1940 10.2349 PRESSURE: 1574400 -112.633 -6.17998 -23.1727 -6.17909 -92.0971 -78.8513 -23.173 -78.851 152.536 GPRESSURE: 1574400 -68.1637 49.6524 23.9621 -10.7083 -55.6151 -21.7257 -101.002 -146.795 169.561 PRESSAVG: 1574400 9.78449 66.6116 4.27577 66.6116 -25.9017 -11.8664 4.27576 -11.8665 33.598 GPRESSAVG: 1574400 10.1109 66.1851 4.36191 67.6497 -25.5998 -12.5691 3.73381 -12.398 33.4826 TIMING: 1574400 CPU: 4683.12, 0.00301804/step Wall: 4683.12, 0.00301804/step, 2.87184 hours remaining, 207.277344 MB of memory in use. ENERGY: 1574400 777.4891 2057.3992 1974.9724 122.2711 -206741.2016 17969.3381 0.0000 0.0000 34267.2066 -149572.5250 299.2640 -183839.7316 -149484.4323 299.2361 -17.3982 15.2606 557473.2606 5.8269 5.9979 PRESSURE: 1574600 22.2523 -71.2103 -110.423 -71.2115 -103.324 65.3196 -110.425 65.3202 61.083 GPRESSURE: 1574600 56.4011 -3.81725 -152.579 29.8743 -66.8808 56.8752 -51.0072 200.532 89.9961 PRESSAVG: 1574600 81.037 28.2539 -40.1969 28.2539 -62.6243 -55.6493 -40.197 -55.6494 -22.6196 GPRESSAVG: 1574600 80.9343 29.0334 -40.7005 25.789 -62.5384 -55.3593 -40.8388 -56.1177 -23.0716 TIMING: 1574600 CPU: 4683.72, 0.00303195/step Wall: 4683.72, 0.00303195/step, 2.8849 hours remaining, 207.277344 MB of memory in use. ENERGY: 1574600 770.7762 2137.6644 1958.5995 118.2360 -206537.5950 18027.7135 0.0000 0.0000 34295.4853 -149229.1201 299.5110 -183524.6054 -149128.3287 299.1516 -6.6628 26.5055 557352.7063 -1.4023 -1.5586 PRESSURE: 1574800 -69.4311 -98.181 19.9293 -98.1828 -80.29 218.78 19.9297 218.782 -92.6574 GPRESSURE: 1574800 -20.5638 -96.1261 13.3336 -60.957 -115.195 167.883 75.8076 207.554 0.704982 PRESSAVG: 1574800 48.2797 -18.6942 43.8874 -18.6942 -44.8599 49.4197 43.8875 49.4197 3.17521 GPRESSAVG: 1574800 48.4353 -18.201 41.8431 -17.4453 -45.4083 47.4571 44.8523 49.4514 3.53826 TIMING: 1574800 CPU: 4684.33, 0.00300632/step Wall: 4684.33, 0.00300632/step, 2.86035 hours remaining, 207.277344 MB of memory in use. ENERGY: 1574800 740.8153 2075.6689 1980.1244 126.4381 -206305.4009 17831.0401 0.0000 0.0000 34349.5277 -149201.7864 299.9830 -183551.3141 -149100.2842 299.7355 -80.7928 -45.0178 557277.0501 2.1983 2.1884 PRESSURE: 1575000 -174.836 -20.7497 114.435 -20.7513 -144.826 155.333 114.435 155.333 -240.761 GPRESSURE: 1575000 -108.332 -38.9175 77.1533 -0.0708275 -153.531 185.79 153.539 128.46 -196.033 PRESSAVG: 1575000 17.8137 47.8813 50.489 47.8814 -9.81359 13.6158 50.4891 13.6158 -37.534 GPRESSAVG: 1575000 16.2504 46.5758 54.1441 48.0026 -9.34845 14.6626 49.4483 13.9269 -36.4905 TIMING: 1575000 CPU: 4684.93, 0.00300497/step Wall: 4684.93, 0.00300497/step, 2.8589 hours remaining, 207.277344 MB of memory in use. ENERGY: 1575000 741.9434 2072.0373 1973.3157 120.1620 -205954.7285 17504.1039 0.0000 0.0000 34434.1488 -149109.0175 300.7220 -183543.1663 -149013.1236 300.1866 -186.8076 -152.6319 558072.7490 -9.8447 -9.8629 PRESSURE: 1575200 -272.036 9.63957 -13.8479 9.64056 277.179 74.8606 -13.8489 74.8617 30.4089 GPRESSURE: 1575200 -218.909 55.1927 -28.8512 -122.925 280.861 12.0161 -30.5985 139.828 68.0392 PRESSAVG: 1575200 -23.5416 16.3541 -21.555 16.3541 61.6338 -4.87268 -21.555 -4.87259 -36.664 GPRESSAVG: 1575200 -22.085 17.7097 -23.2538 15.5611 60.6519 -5.33728 -21.6199 -3.87739 -36.9752 TIMING: 1575200 CPU: 4685.53, 0.00301531/step Wall: 4685.53, 0.00301531/step, 2.86856 hours remaining, 207.277344 MB of memory in use. ENERGY: 1575200 710.6924 2106.8030 1953.0564 112.5507 -205872.4329 17591.8434 0.0000 0.0000 34147.2154 -149250.2716 298.2161 -183397.4870 -149153.6053 299.7380 11.8504 43.3305 556317.8597 0.4761 0.5306 PRESSURE: 1575400 93.5264 51.8376 30.2493 51.8372 55.1155 -15.2327 30.2489 -15.2326 -131.434 GPRESSURE: 1575400 68.6419 -4.31876 41.2552 38.8082 141.805 25.3678 -27.0829 -35.6045 -105.692 PRESSAVG: 1575400 -48.9703 25.9738 8.60436 25.9737 86.6901 70.3703 8.60447 70.3704 -81.621 GPRESSAVG: 1575400 -49.9788 24.5936 8.37358 25.6705 88.1166 69.9186 9.12479 70.2649 -81.792 TIMING: 1575400 CPU: 4686.13, 0.00299825/step Wall: 4686.13, 0.00299825/step, 2.85217 hours remaining, 207.277344 MB of memory in use. ENERGY: 1575400 773.3757 2127.2393 1929.8062 116.6935 -206651.5598 17966.1356 0.0000 0.0000 34395.4047 -149342.9048 300.3836 -183738.3095 -149252.0590 298.7939 5.7359 34.9182 556416.5873 -14.6337 -14.5514 PRESSURE: 1575600 250.855 45.0219 -64.8581 45.0216 123.751 -9.19763 -64.8581 -9.19714 290.384 GPRESSURE: 1575600 293.083 116.732 -27.2671 -13.0543 138.6 2.9364 -52.8409 1.3392 334.283 PRESSAVG: 1575600 76.7795 4.23865 -31.4953 4.23864 34.3395 -20.7457 -31.4954 -20.7457 -59.4067 GPRESSAVG: 1575600 77.5959 6.34544 -31.711 3.40383 33.3251 -19.8822 -29.1173 -21.6689 -59.2406 TIMING: 1575600 CPU: 4686.73, 0.00299127/step Wall: 4686.73, 0.00299127/step, 2.84536 hours remaining, 207.277344 MB of memory in use. ENERGY: 1575600 715.0976 2117.9489 1963.3862 112.3230 -206774.7006 18124.8841 0.0000 0.0000 34225.2532 -149515.8075 298.8976 -183741.0607 -149417.1506 298.8673 221.6634 255.3220 555502.9384 17.2375 17.2268 PRESSURE: 1575800 9.71651 99.0239 90.6004 99.0254 -49.261 259.576 90.6015 259.577 -219.547 GPRESSURE: 1575800 33.4361 162.064 105.275 132.852 33.324 147.503 158.19 165.431 -231.76 PRESSAVG: 1575800 75.8255 19.7529 -6.82813 19.7529 36.4695 -19.58 -6.82812 -19.58 -72.1393 GPRESSAVG: 1575800 77.0177 19.2178 -4.86801 22.1463 35.9434 -19.8024 -9.21316 -20.01 -72.7897 TIMING: 1575800 CPU: 4687.33, 0.0030045/step Wall: 4687.33, 0.0030045/step, 2.85778 hours remaining, 207.277344 MB of memory in use. ENERGY: 1575800 765.7092 2094.4318 1925.2671 113.7565 -206155.7137 17742.0795 0.0000 0.0000 34168.9010 -149345.5685 298.4055 -183514.4695 -149251.1206 298.3158 -86.3638 -55.0001 558543.1956 13.3852 13.3905 PRESSURE: 1576000 20.9719 -46.8737 -19.7415 -46.8733 -70.3485 -32.257 -19.7415 -32.257 -190.026 GPRESSURE: 1576000 92.2526 -39.4006 -6.62246 111.429 -31.0687 -13.4058 -18.5067 -76.1328 -208.634 PRESSAVG: 1576000 74.1408 -6.78722 -44.2 -6.78719 -58.2024 -15.1227 -44.1998 -15.1227 7.40768 GPRESSAVG: 1576000 74.0973 -8.00191 -45.8493 -6.35564 -58.6086 -13.4992 -43.7921 -16.5612 8.00583 TIMING: 1576000 CPU: 4687.93, 0.00300001/step Wall: 4687.93, 0.00300001/step, 2.85334 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: 1576000 744.6425 2130.5687 1974.3816 110.2546 -206109.7218 17658.1399 0.0000 0.0000 34234.5371 -149257.1975 298.9787 -183491.7346 -149165.3107 299.0394 -79.8008 -49.1502 556667.0566 7.7820 7.8315 PRESSURE: 1576200 -366.941 17.5181 -42.6027 17.5186 -299.264 -21.7099 -42.6019 -21.7105 -92.634 GPRESSURE: 1576200 -319.396 -11.4434 -8.79381 -13.6921 -257.911 -41.0434 -116.593 -7.35148 -97.4208 PRESSAVG: 1576200 -12.5994 -11.1511 -44.1629 -11.1512 -68.513 -33.0797 -44.1629 -33.0796 40.396 GPRESSAVG: 1576200 -12.7183 -10.9589 -43.9775 -11.8392 -67.043 -34.2175 -44.3199 -30.4142 39.1623 TIMING: 1576200 CPU: 4688.53, 0.00300769/step Wall: 4688.53, 0.00300769/step, 2.86048 hours remaining, 207.277344 MB of memory in use. ENERGY: 1576200 764.7477 2121.4030 1940.0177 108.1344 -205916.3591 17470.3002 0.0000 0.0000 34456.9730 -149054.7830 300.9213 -183511.7560 -148956.3289 299.2613 -252.9463 -224.9093 557450.2127 -13.5721 -13.5330 LDB: ============= START OF LOAD BALANCING ============== 4691.96 LDB: ============== END OF LOAD BALANCING =============== 4691.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4691.96 LDB: ============= START OF LOAD BALANCING ============== 4692.26 LDB: Largest compute 4821 load 0.024682 is 20.9% of average load 0.118024 LDB: Average compute 0.001704 is 1.4% of average load 0.118024 LDB: TIME 4692.26 LOAD: AVG 0.118024 MAX 0.200952 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 4692.26 LOAD: AVG 0.118024 MAX 0.200952 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.527 MB LDB: TIME 4692.26 LOAD: AVG 0.118024 MAX 0.200952 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.527 MB LDB: ============== END OF LOAD BALANCING =============== 4692.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4692.27 PRESSURE: 1576400 -239.49 46.9746 13.619 46.9744 -167.412 -13.7742 13.6179 -13.7746 -232.348 GPRESSURE: 1576400 -183.145 -32.7326 -19.78 60.2996 -125.156 -8.56422 -12.7657 -31.9627 -237.274 PRESSAVG: 1576400 3.74278 7.09217 -45.0493 7.09216 -38.8785 36.0247 -45.0494 36.0248 -15.3228 GPRESSAVG: 1576400 2.91613 5.45858 -45.3334 8.7714 -40.1621 37.5871 -44.6946 35.4548 -13.3504 TIMING: 1576400 CPU: 4689.14, 0.00305397/step Wall: 4689.14, 0.00305397/step, 2.90432 hours remaining, 205.429688 MB of memory in use. ENERGY: 1576400 755.1709 2108.1610 1936.8111 110.9945 -206364.0454 17655.5623 0.0000 0.0000 34420.0364 -149377.3093 300.5987 -183797.3456 -149279.9045 299.7766 -213.0835 -181.8586 557556.7987 -16.8195 -16.8655 PRESSURE: 1576600 114.13 89.4108 -73.6116 89.4114 -23.4398 81.183 -73.6106 81.1837 -34.5846 GPRESSURE: 1576600 126.018 77.9104 -26.82 188.824 54.9643 87.3772 -56.3804 147.341 -18.5207 PRESSAVG: 1576600 64.2573 25.2137 8.81356 25.2137 20.3917 41.558 8.81348 41.5581 -55.9414 GPRESSAVG: 1576600 63.6643 26.139 8.38395 25.2161 21.1787 40.9281 10.6377 41.9269 -56.3454 TIMING: 1576600 CPU: 4689.74, 0.00297985/step Wall: 4689.74, 0.00297985/step, 2.83367 hours remaining, 205.429688 MB of memory in use. ENERGY: 1576600 768.6087 2091.4545 1937.5652 120.2999 -206308.8163 17812.7091 0.0000 0.0000 34269.2865 -149308.8924 299.2822 -183578.1790 -149209.8696 298.9847 18.7019 54.1539 556491.9196 9.5692 9.4992 PRESSURE: 1576800 -124.151 -38.6829 -44.6101 -38.683 -477.161 3.20912 -44.6101 3.20892 -228.128 GPRESSURE: 1576800 -94.3468 -155.218 4.89286 15.777 -426.693 -11.4855 -44.9436 -56.0814 -191.145 PRESSAVG: 1576800 34.7005 -42.6213 -3.21719 -42.6212 19.8279 42.091 -3.21719 42.091 -43.3649 GPRESSAVG: 1576800 36.2225 -41.2099 -2.80515 -43.8933 19.0626 38.6135 -5.00993 43.2507 -43.6984 TIMING: 1576800 CPU: 4690.33, 0.00298861/step Wall: 4690.33, 0.00298861/step, 2.84184 hours remaining, 205.429688 MB of memory in use. ENERGY: 1576800 781.5878 2116.8102 1963.0362 117.0169 -206165.8132 17567.8195 0.0000 0.0000 34228.9618 -149390.5808 298.9300 -183619.5426 -149298.2820 298.8866 -276.4798 -237.3950 557283.5469 3.7212 3.8623 PRESSURE: 1577000 -133.602 -69.8472 -76.3974 -69.8477 45.4076 -229.863 -76.3975 -229.862 -187.152 GPRESSURE: 1577000 -111.81 -52.0188 -25.169 -2.95502 113.464 -194.224 -76.8562 -207.874 -181.711 PRESSAVG: 1577000 42.65 -37.1882 -22.7037 -37.1882 29.3155 -28.3854 -22.7036 -28.3853 -79.4986 GPRESSAVG: 1577000 42.4339 -36.3812 -22.0015 -38.0865 30.0954 -23.7243 -20.7562 -30.8914 -80.5191 TIMING: 1577000 CPU: 4690.93, 0.00299216/step Wall: 4690.93, 0.00299216/step, 2.84504 hours remaining, 205.429688 MB of memory in use. ENERGY: 1577000 755.0329 2050.0784 1939.7780 107.0185 -206253.9390 17778.1867 0.0000 0.0000 34312.8941 -149310.9504 299.6630 -183623.8445 -149215.7483 299.1641 -91.7821 -60.0190 557963.4660 -2.5110 -2.6633 PRESSURE: 1577200 -276.431 -32.1645 -72.3399 -32.1632 -64.2293 -42.2634 -72.3392 -42.2628 364.974 GPRESSURE: 1577200 -247.098 -38.1339 -86.1798 -71.6446 4.04467 5.92111 -95.6146 12.7863 370.153 PRESSAVG: 1577200 20.1328 -40.0836 44.8241 -40.0835 43.4606 -14.4069 44.8241 -14.407 -13.7973 GPRESSAVG: 1577200 19.7693 -40.154 46.0591 -40.0027 43.6887 -15.1723 41.3888 -13.4511 -13.3303 TIMING: 1577200 CPU: 4691.53, 0.0029745/step Wall: 4691.53, 0.0029745/step, 2.82809 hours remaining, 205.429688 MB of memory in use. ENERGY: 1577200 764.6312 2088.1823 1942.3696 102.1612 -206214.6186 17939.8525 0.0000 0.0000 34085.8323 -149291.5896 297.6801 -183377.4219 -149193.1308 298.5830 8.1045 42.3665 558568.5112 16.5987 16.7092 PRESSURE: 1577400 -146.192 64.4602 -244.007 64.4598 -186.833 -75.6414 -244.008 -75.6416 -11.7405 GPRESSURE: 1577400 -61.8903 60.831 -173.87 49.2531 -124.359 -28.7304 -209.146 -89.7236 -61.5893 PRESSAVG: 1577400 -26.4554 -25.3864 -35.7418 -25.3864 -9.932 -25.4744 -35.7418 -25.4745 5.62214 GPRESSAVG: 1577400 -25.711 -25.1738 -36.6085 -23.6851 -9.78417 -24.3188 -34.0467 -24.6732 4.54989 TIMING: 1577400 CPU: 4692.12, 0.00297385/step Wall: 4692.12, 0.00297385/step, 2.8273 hours remaining, 205.429688 MB of memory in use. ENERGY: 1577400 752.8759 2044.3442 1931.8540 108.1558 -206127.8002 17658.5592 0.0000 0.0000 34376.6424 -149255.3687 300.2198 -183632.0111 -149159.7853 298.8225 -114.9220 -82.6129 559162.1036 -10.2551 -10.3151 PRESSURE: 1577600 -160.101 -29.9457 -7.5168 -29.9456 -137.223 -50.7637 -7.51504 -50.7648 -367.624 GPRESSURE: 1577600 -134.702 37.4526 -82.3527 -22.6311 -112.259 -43.6662 21.4179 -41.3443 -329.393 PRESSAVG: 1577600 70.2392 -4.11739 -38.0582 -4.11748 -106.135 24.6969 -38.0583 24.6969 46.2866 GPRESSAVG: 1577600 68.7386 -3.81951 -39.9861 -6.53592 -106.323 21.5832 -38.2256 24.276 47.6264 TIMING: 1577600 CPU: 4692.72, 0.00297239/step Wall: 4692.72, 0.00297239/step, 2.82575 hours remaining, 205.429688 MB of memory in use. ENERGY: 1577600 752.6845 2055.0544 1953.5910 120.2803 -205899.4190 17588.8129 0.0000 0.0000 34056.6499 -149372.3460 297.4252 -183428.9959 -149271.9579 298.8561 -221.6493 -192.1179 559704.6566 3.4637 3.3475 PRESSURE: 1577800 -153.917 118.834 -231.034 118.834 -140.229 33.3113 -231.034 33.3127 -67.0334 GPRESSURE: 1577800 -113.83 68.7304 -182.698 83.8646 -111.769 34.9901 -256.831 99.9952 -42.1435 PRESSAVG: 1577800 35.9519 0.110304 -18.7196 0.110326 11.7676 -14.2858 -18.7196 -14.2857 5.94681 GPRESSAVG: 1577800 36.7579 -0.454035 -16.5624 2.70103 11.7826 -12.4309 -18.4337 -15.5236 4.83824 TIMING: 1577800 CPU: 4693.31, 0.00297374/step Wall: 4693.31, 0.00297374/step, 2.82687 hours remaining, 205.429688 MB of memory in use. ENERGY: 1577800 753.3760 2083.0525 1918.1902 103.1707 -205913.3552 17647.9337 0.0000 0.0000 34082.5352 -149325.0969 297.6513 -183407.6322 -149236.6501 298.7046 -120.3930 -89.2475 558404.1872 17.8888 17.7929 PRESSURE: 1578000 17.0712 -74.2389 86.373 -74.2378 -44.5147 -38.9275 86.3725 -38.9283 18.6068 GPRESSURE: 1578000 55.1985 -178.173 22.6065 -8.10977 -40.5292 -35.6 85.4499 -30.1338 82.7278 PRESSAVG: 1578000 73.9462 -52.9935 12.864 -52.9935 -22.1607 -16.4607 12.864 -16.4606 -2.89251 GPRESSAVG: 1578000 73.1704 -53.9106 11.883 -53.4957 -22.721 -17.8734 14.0462 -16.3944 -1.39836 TIMING: 1578000 CPU: 4693.91, 0.00297152/step Wall: 4693.91, 0.00297152/step, 2.82459 hours remaining, 205.429688 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: 1578000 714.2574 2056.9264 1923.5330 93.8072 -206166.1199 17874.2671 0.0000 0.0000 34116.6832 -149386.6456 297.9495 -183503.3288 -149285.9407 298.5551 -2.9456 32.4657 559001.8810 16.2977 16.3503 PRESSURE: 1578200 94.6398 -121.993 100.509 -121.993 41.8905 46.1599 100.509 46.1604 -8.19419 GPRESSURE: 1578200 159.09 -116.188 59.9611 9.94958 42.606 13.106 177.746 69.8419 9.35453 PRESSAVG: 1578200 2.15558 -38.2358 -22.0152 -38.2358 19.7682 -2.19398 -22.0151 -2.19405 -48.23 GPRESSAVG: 1578200 2.71537 -37.7032 -19.8858 -39.3899 18.913 -0.717019 -22.6063 -2.46307 -48.495 TIMING: 1578200 CPU: 4694.5, 0.00296403/step Wall: 4694.5, 0.00296403/step, 2.81731 hours remaining, 205.429688 MB of memory in use. ENERGY: 1578200 759.4502 2111.0626 1933.1633 101.0951 -206417.3750 17978.9355 0.0000 0.0000 34086.4307 -149447.2376 297.6853 -183533.6683 -149350.9349 298.4565 42.7787 70.3503 558136.9984 -8.7688 -8.9555 PRESSURE: 1578400 -200.209 7.08693 -116.701 7.08649 -120.452 -48.8945 -116.702 -48.8944 -4.46213 GPRESSURE: 1578400 -148.908 44.2084 -152.878 -51.1558 -78.2252 -110.137 -116.957 23.3266 -2.61152 PRESSAVG: 1578400 29.7928 -60.5084 0.47576 -60.5084 -9.047 -29.846 0.4759 -29.8461 -61.8967 GPRESSAVG: 1578400 29.6666 -59.8174 -0.731374 -61.1085 -8.68827 -29.9779 -1.041 -29.5021 -61.5309 TIMING: 1578400 CPU: 4695.1, 0.00299401/step Wall: 4695.1, 0.00299401/step, 2.84564 hours remaining, 205.429688 MB of memory in use. ENERGY: 1578400 719.2646 2043.6177 1959.2298 111.7284 -206348.3198 17803.5070 0.0000 0.0000 34102.8590 -149608.1134 297.8287 -183710.9724 -149511.9610 297.7077 -108.3744 -76.5817 559388.5061 -13.7170 -13.5175 PRESSURE: 1578600 128.703 -33.5487 39.3706 -33.5491 50.735 -51.0164 39.371 -51.0153 202.217 GPRESSURE: 1578600 171.303 -72.4697 118.263 -71.2409 117.955 -74.9183 -4.87421 -49.0464 192.09 PRESSAVG: 1578600 62.4931 -42.7615 34.1103 -42.7614 -60.5441 8.35456 34.1103 8.35454 1.70693 GPRESSAVG: 1578600 62.9932 -43.5747 32.2032 -42.9385 -60.2294 7.71832 35.1684 9.18703 0.92692 TIMING: 1578600 CPU: 4695.69, 0.0029782/step Wall: 4695.69, 0.0029782/step, 2.83045 hours remaining, 205.429688 MB of memory in use. ENERGY: 1578600 747.5160 2064.3338 1943.5126 106.9537 -206486.7269 17961.2235 0.0000 0.0000 34091.3455 -149571.8418 297.7282 -183663.1874 -149478.7954 297.1885 127.2183 160.4496 557425.3294 1.2186 1.2302 PRESSURE: 1578800 116.244 30.5576 71.904 30.5575 166.3 32.9767 71.9046 32.9757 -76.9839 GPRESSURE: 1578800 99.1176 27.576 114.617 58.0573 198.004 47.4288 91.6906 46.3875 2.19379 PRESSAVG: 1578800 -3.25109 -32.6 -19.9778 -32.6001 -91.1131 -10.9454 -19.9778 -10.9455 94.138 GPRESSAVG: 1578800 -3.28785 -34.7166 -18.4288 -31.512 -90.8235 -12.661 -20.4912 -11.3598 93.7096 TIMING: 1578800 CPU: 4696.29, 0.0029877/step Wall: 4696.29, 0.0029877/step, 2.83931 hours remaining, 205.429688 MB of memory in use. ENERGY: 1578800 741.2690 2094.5527 1915.2989 103.9720 -206569.7350 17993.4807 0.0000 0.0000 34172.0460 -149549.1157 298.4330 -183721.1617 -149454.9780 297.7909 68.5198 99.7718 556720.5420 -0.0754 -0.1339 PRESSURE: 1579000 -88.3929 -253.229 9.89815 -253.229 -52.4736 68.5906 9.89785 68.5921 -160.827 GPRESSURE: 1579000 -6.80882 -223.267 -66.7509 -154.517 -8.51653 37.6543 71.4556 108.654 -183.292 PRESSAVG: 1579000 -26.0556 -20.8656 -73.2846 -20.8656 59.5434 7.69313 -73.2846 7.69312 2.96284 GPRESSAVG: 1579000 -26.3981 -20.1601 -73.3765 -19.8301 59.6832 8.15962 -72.3647 8.28924 3.61499 TIMING: 1579000 CPU: 4696.89, 0.00301965/step Wall: 4696.89, 0.00301965/step, 2.8695 hours remaining, 205.429688 MB of memory in use. ENERGY: 1579000 754.5098 2144.8118 1954.2238 112.7955 -206134.0845 17783.3064 0.0000 0.0000 34185.6476 -149198.7897 298.5518 -183384.4373 -149107.0392 299.0511 -100.5644 -66.2059 556978.4261 12.1502 12.3000 PRESSURE: 1579200 -327.723 -28.4342 126.239 -28.4342 -120.274 83.7998 126.238 83.7994 46.339 GPRESSURE: 1579200 -277.895 -68.4844 190.211 51.2202 -88.2297 74.1034 52.404 15.3219 55.0462 PRESSAVG: 1579200 0.202789 19.5745 20.4533 19.5745 5.17768 11.5397 20.4533 11.5397 9.79567 GPRESSAVG: 1579200 -0.840765 22.047 20.4135 17.8314 5.5432 12.1318 18.2868 10.9768 10.6614 TIMING: 1579200 CPU: 4697.5, 0.00301603/step Wall: 4697.5, 0.00301603/step, 2.8659 hours remaining, 205.429688 MB of memory in use. ENERGY: 1579200 776.1590 2085.0361 1926.0819 115.5710 -206039.7259 17789.7443 0.0000 0.0000 34077.4987 -149269.6347 297.6073 -183347.1334 -149174.5028 298.8484 -133.8858 -103.6928 557716.3739 5.0587 5.1213 PRESSURE: 1579400 85.0704 0.242108 -9.54772 0.242206 69.071 134.118 -9.54613 134.117 -51.5104 GPRESSURE: 1579400 124.813 33.6915 -23.7595 -20.396 120.619 91.5667 -63.5353 122.175 -28.685 PRESSAVG: 1579400 23.1448 23.0599 -48.0493 23.06 30.4135 47.3992 -48.0492 47.3994 -34.6536 GPRESSAVG: 1579400 23.8085 22.2957 -49.2442 23.6085 29.5428 48.3248 -45.2156 47.093 -34.6855 TIMING: 1579400 CPU: 4698.1, 0.00299235/step Wall: 4698.1, 0.00299235/step, 2.84323 hours remaining, 205.429688 MB of memory in use. ENERGY: 1579400 730.2323 2057.3651 1962.8951 115.1293 -206692.0714 18096.0404 0.0000 0.0000 34315.8170 -149414.5922 299.6886 -183730.4092 -149322.6438 298.6491 34.2103 72.2488 558054.8527 6.3016 6.2219 PRESSURE: 1579600 -8.30577 -158.983 55.4173 -158.985 -347.387 34.6843 55.4169 34.6852 -34.7962 GPRESSURE: 1579600 51.4134 -191.716 -51.3476 -63.6284 -273.238 87.7623 155.692 -13.1207 -70.8817 PRESSAVG: 1579600 59.6255 -53.019 9.9197 -53.0189 -78.4611 28.7944 9.91973 28.7942 16.6962 GPRESSAVG: 1579600 60.2288 -52.2433 11.2689 -52.4731 -78.1929 27.6595 8.45288 28.2453 16.0116 TIMING: 1579600 CPU: 4698.7, 0.00301283/step Wall: 4698.7, 0.00301283/step, 2.86252 hours remaining, 205.429688 MB of memory in use. ENERGY: 1579600 724.1785 2032.9928 1945.2396 100.9950 -205839.3892 17594.4286 0.0000 0.0000 33984.7870 -149456.7678 296.7976 -183441.5548 -149360.4700 298.7229 -130.1631 -97.5686 559455.5659 -0.7132 -0.6509 PRESSURE: 1579800 26.1423 -82.4613 -62.9394 -82.4614 -82.5798 150.815 -62.9382 150.817 -107.739 GPRESSURE: 1579800 4.31769 -83.8397 -136.845 -162.845 -51.3033 155.894 -13.4212 89.5385 -15.9068 PRESSAVG: 1579800 42.0268 -6.28543 9.29819 -6.28532 -81.59 82.1914 9.29814 82.1914 8.59479 GPRESSAVG: 1579800 41.1507 -6.03381 7.03691 -7.2734 -81.7114 82.2713 10.8521 83.4382 9.4064 TIMING: 1579800 CPU: 4699.3, 0.00300705/step Wall: 4699.3, 0.00300705/step, 2.85686 hours remaining, 205.429688 MB of memory in use. ENERGY: 1579800 689.8464 2098.7734 1930.6827 111.4430 -206397.0129 17755.1110 0.0000 0.0000 34279.6362 -149531.5203 299.3726 -183811.1564 -149432.5864 298.8469 -54.7256 -20.9641 557791.9048 -10.3228 -10.3847 PRESSURE: 1580000 73.3469 61.9638 -54.9309 61.9638 -8.21064 -131.415 -54.93 -131.414 -64.3666 GPRESSURE: 1580000 109.523 19.4625 -107.407 144.701 30.498 -109.38 -7.42989 -143.384 -34.5241 PRESSAVG: 1580000 -4.9349 -53.4771 51.3417 -53.4771 -14.9226 44.1212 51.3416 44.1211 17.9525 GPRESSAVG: 1580000 -4.68068 -53.7689 52.4317 -54.6079 -14.6817 44.0184 50.0299 43.3773 17.4434 TIMING: 1580000 CPU: 4699.91, 0.0030235/step Wall: 4699.91, 0.0030235/step, 2.87232 hours remaining, 205.429688 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: 1580000 745.4562 2100.2368 1918.9225 121.7382 -206765.8756 18085.3497 0.0000 0.0000 34320.2369 -149473.9353 299.7272 -183794.1722 -149369.7624 298.2390 0.2566 35.1655 558397.9751 -0.6350 -0.6397 PRESSURE: 1580200 -238.378 11.8645 73.4882 11.864 191.668 0.398083 73.4872 0.396878 -146.266 GPRESSURE: 1580200 -142.87 16.3831 109.1 30.2927 133.745 -56.1937 67.8631 77.4263 -84.8967 PRESSAVG: 1580200 -8.65851 -13.7039 53.261 -13.704 52.7246 -15.5679 53.261 -15.5679 4.42039 GPRESSAVG: 1580200 -8.46291 -13.8157 54.3499 -13.0689 51.7466 -14.9608 55.5349 -14.398 4.70608 TIMING: 1580200 CPU: 4700.51, 0.00302052/step Wall: 4700.51, 0.00302052/step, 2.86933 hours remaining, 205.429688 MB of memory in use. ENERGY: 1580200 752.5849 2075.8437 1946.4378 105.0532 -206347.9226 17912.1221 0.0000 0.0000 33963.7697 -149592.1113 296.6140 -183555.8810 -149502.0349 298.7927 -64.3256 -31.3405 558170.2935 16.1622 15.9966 LDB: ============= START OF LOAD BALANCING ============== 4703.94 LDB: ============== END OF LOAD BALANCING =============== 4703.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4703.94 LDB: ============= START OF LOAD BALANCING ============== 4704.24 LDB: Largest compute 4821 load 0.026444 is 22.4% of average load 0.118002 LDB: Average compute 0.001710 is 1.4% of average load 0.118002 LDB: TIME 4704.25 LOAD: AVG 0.118002 MAX 0.201532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 4704.25 LOAD: AVG 0.118002 MAX 0.201532 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 4704.25 LOAD: AVG 0.118002 MAX 0.201532 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: ============== END OF LOAD BALANCING =============== 4704.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4704.25 PRESSURE: 1580400 161.434 -224.4 0.539231 -224.401 -275.04 118.98 0.540225 118.982 -70.3804 GPRESSURE: 1580400 159.3 -280.529 61.0397 -172.587 -213.071 68.7593 -82.1216 197.615 -27.9547 PRESSAVG: 1580400 16.2701 42.7979 -34.6876 42.798 26.0704 -11.168 -34.6875 -11.1679 -52.5939 GPRESSAVG: 1580400 16.4545 42.3302 -33.3592 44.3513 26.0728 -10.9234 -37.1212 -11.0583 -52.9474 TIMING: 1580400 CPU: 4701.12, 0.00307059/step Wall: 4701.12, 0.00307059/step, 2.91672 hours remaining, 206.710938 MB of memory in use. ENERGY: 1580400 755.7532 2098.5395 1916.5565 123.9820 -206600.1217 17763.2181 0.0000 0.0000 34208.0380 -149734.0345 298.7473 -183942.0725 -149637.0125 297.7951 -61.3286 -27.2420 556202.8215 -3.4178 -3.4734 PRESSURE: 1580600 -180.049 166.482 -163.617 166.483 -75.3042 81.2724 -163.617 81.2716 -15.6676 GPRESSURE: 1580600 -144.698 126.27 -164.543 130.256 2.22854 -21.2995 -240.699 152.16 -36.7203 PRESSAVG: 1580600 29.6743 -19.187 -46.7888 -19.187 -31.7287 6.59306 -46.7889 6.59303 -5.22275 GPRESSAVG: 1580600 29.0856 -18.8858 -47.7415 -18.9503 -31.5239 6.5422 -45.5116 6.23726 -5.16036 TIMING: 1580600 CPU: 4701.73, 0.00302887/step Wall: 4701.73, 0.00302887/step, 2.87692 hours remaining, 206.710938 MB of memory in use. ENERGY: 1580600 737.0435 2101.5645 1942.7441 123.1114 -206508.6262 17735.8050 0.0000 0.0000 34008.4818 -149859.8760 297.0045 -183868.3578 -149760.4498 297.6215 -90.3402 -59.7299 557820.4771 -2.4257 -2.5329 PRESSURE: 1580800 -239.202 34.0683 26.125 34.0682 -59.667 -31.2207 26.1261 -31.2191 -54.1973 GPRESSURE: 1580800 -225.443 144.384 -16.7544 8.53048 11.7193 -42.1075 7.25159 20.8479 -41.6961 PRESSAVG: 1580800 36.4675 20.2732 -20.3988 20.2731 -23.5452 -22.9554 -20.3988 -22.9555 3.54351 GPRESSAVG: 1580800 37.2112 23.4751 -22.1999 18.3386 -24.2124 -22.2399 -19.7819 -23.2564 3.11974 TIMING: 1580800 CPU: 4702.33, 0.00301911/step Wall: 4702.33, 0.00301911/step, 2.86749 hours remaining, 206.710938 MB of memory in use. ENERGY: 1580800 751.4547 2088.2560 1957.9779 102.2546 -206795.4291 17924.8208 0.0000 0.0000 34163.9193 -149806.7459 298.3620 -183970.6652 -149715.8599 297.4768 -117.6889 -85.1398 557241.8617 5.4886 5.3728 PRESSURE: 1581000 298.935 90.6216 -113.457 90.621 -77.3876 -12.3279 -113.457 -12.3284 145.26 GPRESSURE: 1581000 312.46 154.887 -223.086 18.4749 -37.0034 -5.69358 -86.7786 -12.3629 179.586 PRESSAVG: 1581000 21.5435 17.3722 44.1521 17.3723 -0.336453 -17.4733 44.1521 -17.4733 -11.8084 GPRESSAVG: 1581000 20.9683 14.4039 44.261 19.0518 0.717841 -18.2713 43.5478 -16.5079 -12.2242 TIMING: 1581000 CPU: 4702.94, 0.00302512/step Wall: 4702.94, 0.00302512/step, 2.87302 hours remaining, 206.710938 MB of memory in use. ENERGY: 1581000 711.2323 2139.4038 1922.3398 121.2344 -206709.8243 18095.1643 0.0000 0.0000 34017.9131 -149702.5366 297.0869 -183720.4497 -149602.3346 297.3464 122.2689 151.6809 557168.5686 3.1329 3.1540 PRESSURE: 1581200 164.077 -45.5056 -117.804 -45.5052 88.372 49.0466 -117.803 49.0473 124.298 GPRESSURE: 1581200 208.296 -96.8141 4.97242 -48.5078 133.108 97.9703 -108.446 -29.2622 140.036 PRESSAVG: 1581200 30.5692 3.24739 8.23161 3.2473 30.7582 -4.01957 8.23153 -4.01975 -21.1459 GPRESSAVG: 1581200 29.9836 2.77637 10.4863 1.59575 30.9162 -5.32751 6.63121 -4.68122 -20.9236 TIMING: 1581200 CPU: 4703.54, 0.00299785/step Wall: 4703.54, 0.00299785/step, 2.84695 hours remaining, 206.710938 MB of memory in use. ENERGY: 1581200 748.4179 2090.5685 1949.4449 109.1078 -206799.3917 18153.5327 0.0000 0.0000 33921.4115 -149826.9085 296.2441 -183748.3200 -149726.4919 297.4508 125.5822 160.4800 558096.6362 13.3938 13.3254 PRESSURE: 1581400 185.819 -8.13371 -26.3436 -8.13236 64.4335 9.73115 -26.3435 9.73055 101.968 GPRESSURE: 1581400 187.682 19.5981 37.5928 -10.5136 156.224 23.813 -0.293141 -54.2647 107.915 PRESSAVG: 1581400 64.2638 18.6702 -36.8699 18.6702 -4.12323 17.5903 -36.8698 17.5902 -50.8037 GPRESSAVG: 1581400 65.0221 20.9757 -36.4196 18.734 -4.74611 16.0022 -34.5129 19.1077 -51.1947 TIMING: 1581400 CPU: 4704.13, 0.00296726/step Wall: 4704.13, 0.00296726/step, 2.81775 hours remaining, 206.710938 MB of memory in use. ENERGY: 1581400 760.9908 2089.5495 1929.9639 99.5907 -206558.0450 17999.3088 0.0000 0.0000 34058.4343 -149620.2070 297.4408 -183678.6413 -149530.9908 297.3000 117.4068 150.6068 556359.3755 3.1123 3.0271 PRESSURE: 1581600 144.97 -70.7163 -115.834 -70.7152 137.105 -47.1944 -115.835 -47.1946 221.257 GPRESSURE: 1581600 204.262 -18.0039 8.04949 -41.1185 133.411 -16.9928 -143.57 -52.2203 268.473 PRESSAVG: 1581600 -64.0892 27.1548 75.8185 27.1547 32.3554 9.61439 75.8183 9.61435 32.8152 GPRESSAVG: 1581600 -64.6838 25.3024 75.4454 28.3577 31.7352 12.1334 73.429 7.36454 33.9714 TIMING: 1581600 CPU: 4704.73, 0.00297482/step Wall: 4704.73, 0.00297482/step, 2.82475 hours remaining, 206.710938 MB of memory in use. ENERGY: 1581600 757.8091 2023.6903 1952.6843 111.7999 -206151.8625 17735.3530 0.0000 0.0000 34064.3136 -149506.2123 297.4921 -183570.5260 -149416.4469 297.7773 167.7773 202.0487 556541.3506 0.3604 0.3410 PRESSURE: 1581800 -142.362 -33.7443 -154.403 -33.7448 7.46881 89.6241 -154.404 89.6238 -235.423 GPRESSURE: 1581800 -147.875 48.0286 -103.937 -102.723 44.8499 65.9923 -187.639 102.603 -167.905 PRESSAVG: 1581800 -42.5455 58.0069 -37.3211 58.0069 7.22922 -2.48866 -37.3211 -2.48877 22.5261 GPRESSAVG: 1581800 -42.8021 56.3054 -40.6167 57.4696 7.68009 -0.941395 -35.0829 -2.03896 22.2538 TIMING: 1581800 CPU: 4705.32, 0.00298131/step Wall: 4705.32, 0.00298131/step, 2.83075 hours remaining, 206.710938 MB of memory in use. ENERGY: 1581800 729.7223 2088.4978 1942.5822 113.4163 -206049.5087 17662.3106 0.0000 0.0000 34107.9866 -149404.9930 297.8735 -183512.9796 -149313.1618 297.4917 -123.4386 -90.3099 557603.6692 -4.2634 -4.2894 PRESSURE: 1582000 -186.23 103.205 -8.8124 103.205 -149.113 -15.1211 -8.81241 -15.1216 53.387 GPRESSURE: 1582000 -122.987 123.868 -68.035 64.4586 -124.797 -41.9124 59.7656 -17.7825 54.5811 PRESSAVG: 1582000 13.8991 3.16015 -0.79429 3.16021 27.7595 -22.1503 -0.794317 -22.1502 -0.545279 GPRESSAVG: 1582000 14.1529 4.80107 -0.101578 3.43664 27.8019 -23.2249 0.201465 -22.0929 -1.40635 TIMING: 1582000 CPU: 4705.92, 0.0030086/step Wall: 4705.92, 0.0030086/step, 2.8565 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: 1582000 723.3383 2133.4142 1965.9957 110.2185 -206179.7104 17803.5206 0.0000 0.0000 34182.5155 -149260.7075 298.5244 -183443.2230 -149163.9468 298.4825 -93.9852 -64.4008 558157.7167 13.7045 13.5162 PRESSURE: 1582200 -175.19 -224.174 -31.1154 -224.174 -32.5718 3.93192 -31.1162 3.93265 -15.1352 GPRESSURE: 1582200 -123.473 -97.3887 -12.5315 -275.976 -0.185427 -123.268 -34.1226 41.4699 -5.17755 PRESSAVG: 1582200 -22.0213 6.27833 63.2717 6.27831 2.90745 -31.2589 63.2717 -31.2589 12.0337 GPRESSAVG: 1582200 -21.8771 4.44264 66.1225 6.01275 2.40022 -30.0296 60.9969 -32.0782 12.1654 TIMING: 1582200 CPU: 4706.52, 0.00298809/step Wall: 4706.52, 0.00298809/step, 2.83686 hours remaining, 206.710938 MB of memory in use. ENERGY: 1582200 793.3603 2126.0930 1914.0264 101.5066 -206297.1879 17906.6475 0.0000 0.0000 33936.7295 -149518.8246 296.3779 -183455.5541 -149428.3130 297.9780 -74.2989 -42.9453 557699.4548 -2.3600 -2.4372 PRESSURE: 1582400 -212.208 -7.2787 147.998 -7.27952 36.5384 -3.26635 148 -3.26705 -106.546 GPRESSURE: 1582400 -151.924 23.1747 128.3 -80.9185 14.6001 -10.8964 90.1506 -20.6904 -36.6167 PRESSAVG: 1582400 12.8171 -12.583 56.147 -12.5829 33.8258 10.5623 56.1469 10.5623 4.34862 GPRESSAVG: 1582400 13.2907 -10.762 55.3646 -13.1096 33.1518 9.20976 56.1005 12.1706 4.1833 TIMING: 1582400 CPU: 4707.12, 0.00298599/step Wall: 4707.12, 0.00298599/step, 2.8347 hours remaining, 206.710938 MB of memory in use. ENERGY: 1582400 715.6247 2099.1789 1944.4095 113.1041 -206241.6788 17780.3576 0.0000 0.0000 34031.5059 -149557.4981 297.2056 -183589.0039 -149461.7177 297.8644 -94.0720 -57.9802 556915.1456 16.9972 16.8753 PRESSURE: 1582600 -21.5667 -102.807 33.926 -102.807 23.7643 114.823 33.9258 114.824 29.8195 GPRESSURE: 1582600 -24.6508 -129.804 62.9041 -82.5222 126.476 167.709 1.5954 -51.4933 28.1573 PRESSAVG: 1582600 -81.5189 20.2642 43.8313 20.2642 74.36 29.1682 43.8313 29.1681 19.7938 GPRESSAVG: 1582600 -82.0746 20.2149 43.795 19.8446 75.4939 31.5515 43.1549 28.2274 19.7144 TIMING: 1582600 CPU: 4707.72, 0.00299662/step Wall: 4707.72, 0.00299662/step, 2.84463 hours remaining, 206.710938 MB of memory in use. ENERGY: 1582600 721.1959 2078.4949 1916.2199 106.5530 -206262.2626 17759.1095 0.0000 0.0000 34253.9660 -149426.7234 299.1484 -183680.6894 -149329.4399 298.6108 10.6724 43.3274 555226.0871 4.2116 4.3779 PRESSURE: 1582800 92.3533 -42.578 52.8829 -42.5766 10.1397 -77.3281 52.8826 -77.3273 477.473 GPRESSURE: 1582800 152.818 -79.8529 103.794 -62.3206 3.66606 -43.735 14.3691 -40.5563 526.765 PRESSAVG: 1582800 -7.17761 -21.9437 23.3407 -21.9438 11.7202 -34.1601 23.3407 -34.1603 2.32904 GPRESSAVG: 1582800 -5.33261 -22.6549 22.4488 -20.4432 11.4026 -36.3809 26.5863 -31.6609 1.40633 TIMING: 1582800 CPU: 4708.31, 0.00297758/step Wall: 4708.31, 0.00297758/step, 2.82639 hours remaining, 206.710938 MB of memory in use. ENERGY: 1582800 759.9856 2081.7645 1933.2955 111.1826 -206798.5571 18214.4813 0.0000 0.0000 34331.0367 -149366.8108 299.8215 -183697.8475 -149266.8614 298.7943 193.3221 227.7497 555712.6419 2.2905 2.4921 PRESSURE: 1583000 -35.5194 25.6854 -207.646 25.6853 -151.571 -82.1235 -207.645 -82.1244 -10.6662 GPRESSURE: 1583000 19.1244 44.2454 -215.414 -80.141 -177.827 -80.6156 -127.253 -80.6211 68.5155 PRESSAVG: 1583000 -58.1148 -14.5565 -36.6163 -14.5565 -3.71851 21.0485 -36.6162 21.0484 10.1725 GPRESSAVG: 1583000 -59.8614 -15.1098 -34.0933 -16.0179 -3.47473 21.3191 -38.7985 18.7523 11.3246 TIMING: 1583000 CPU: 4708.91, 0.00297687/step Wall: 4708.91, 0.00297687/step, 2.82554 hours remaining, 206.710938 MB of memory in use. ENERGY: 1583000 755.9115 2100.7456 1949.7810 111.1350 -206310.9432 17653.6244 0.0000 0.0000 34293.5677 -149446.1778 299.4943 -183739.7456 -149343.3781 299.0174 -65.9189 -30.0623 554648.2664 -17.2203 -17.3372 PRESSURE: 1583200 -377.514 -73.1674 -9.77044 -73.1678 45.2328 74.2958 -9.76983 74.2958 -289.782 GPRESSURE: 1583200 -363.195 -77.0236 31.0622 -52.9192 81.4914 59.8175 -72.1409 54.7639 -250.07 PRESSAVG: 1583200 53.2178 28.5115 22.6357 28.5115 6.3934 19.9155 22.6356 19.9156 -58.7714 GPRESSAVG: 1583200 53.1625 29.565 20.4317 28.7317 6.62808 20.9642 22.0555 20.886 -58.7708 TIMING: 1583200 CPU: 4709.5, 0.00297876/step Wall: 4709.5, 0.00297876/step, 2.82718 hours remaining, 206.710938 MB of memory in use. ENERGY: 1583200 797.5406 2041.8649 1944.2940 113.4516 -206053.3663 17695.1469 0.0000 0.0000 34253.2228 -149207.8454 299.1419 -183461.0682 -149110.4696 298.9735 -207.3544 -177.2580 557921.8495 0.2799 0.3399 PRESSURE: 1583400 120.234 10.4112 58.6967 10.4128 -81.5545 70.6518 58.6977 70.6524 90.0186 GPRESSURE: 1583400 182.262 -10.2276 82.3582 -14.3472 -96.6304 76.5273 6.0751 72.1293 136.941 PRESSAVG: 1583400 -7.05955 -25.5161 49.2722 -25.5162 -34.7763 8.34954 49.2722 8.34955 23.8994 GPRESSAVG: 1583400 -6.51977 -27.1629 51.2756 -25.3289 -35.2813 8.725 48.1878 9.53233 23.6406 TIMING: 1583400 CPU: 4710.1, 0.00298153/step Wall: 4710.1, 0.00298154/step, 2.82964 hours remaining, 206.710938 MB of memory in use. ENERGY: 1583400 750.1685 2096.8093 1916.2906 102.6065 -206334.0992 17956.7472 0.0000 0.0000 34302.5773 -149208.8998 299.5729 -183511.4771 -149109.6837 299.1263 42.8994 74.1906 558355.6722 -5.9788 -6.0535 PRESSURE: 1583600 97.0114 -87.0396 160.325 -87.0398 -19.6235 32.6443 160.326 32.6454 -149.673 GPRESSURE: 1583600 133.149 24.6434 57.5388 -122.653 19.7964 17.4289 219.488 -12.2769 -134.709 PRESSAVG: 1583600 17.6566 -23.707 48.226 -23.7069 20.0406 16.1968 48.226 16.1968 -34.019 GPRESSAVG: 1583600 18.3362 -22.1338 45.8006 -22.4814 19.9094 14.8119 49.6686 14.6517 -34.4228 TIMING: 1583600 CPU: 4710.7, 0.00301228/step Wall: 4710.7, 0.00301228/step, 2.85865 hours remaining, 206.710938 MB of memory in use. ENERGY: 1583600 749.5333 2086.8024 1941.0849 123.4665 -206186.6947 17925.3606 0.0000 0.0000 34186.5428 -149173.9042 298.5596 -183360.4470 -149068.7905 299.2125 -24.0949 6.0786 559313.4921 1.2261 1.2742 PRESSURE: 1583800 33.4203 -77.6173 -33.183 -77.6167 -116.925 65.7169 -33.1827 65.7185 59.6157 GPRESSURE: 1583800 9.35047 -95.9112 -12.9022 -132.728 7.18464 76.1514 -27.9571 80.3782 57.8837 PRESSAVG: 1583800 18.1887 -6.76828 59.5932 -6.76836 0.597471 -19.7648 59.5933 -19.7647 14.3777 GPRESSAVG: 1583800 17.8546 -7.9986 62.9701 -8.48218 0.555158 -18.7378 58.1335 -19.7652 14.5903 TIMING: 1583800 CPU: 4711.3, 0.00297695/step Wall: 4711.3, 0.00297695/step, 2.82496 hours remaining, 206.710938 MB of memory in use. ENERGY: 1583800 770.9010 2088.1450 1932.0053 119.6271 -206149.2729 17807.8793 0.0000 0.0000 34333.2866 -149097.4287 299.8411 -183430.7152 -148998.5415 299.3186 -7.9631 24.8063 559623.7182 11.0546 11.0000 PRESSURE: 1584000 -63.2416 -70.3578 7.77427 -70.3586 178.933 121.896 7.77413 121.894 -503.4 GPRESSURE: 1584000 -7.20271 -32.3316 23.2042 -98.3334 169.291 85.0898 38.2973 204.879 -454.581 PRESSAVG: 1584000 48.8053 -26.9151 -28.8676 -26.9151 -53.2645 -28.6973 -28.8676 -28.6973 -41.0167 GPRESSAVG: 1584000 49.7696 -26.36 -29.0609 -24.7033 -53.5671 -29.2216 -28.9538 -29.36 -41.071 TIMING: 1584000 CPU: 4711.89, 0.00297693/step Wall: 4711.89, 0.00297693/step, 2.82478 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: 1584000 745.6862 2042.4880 1949.5296 108.2463 -206129.1659 17700.9872 0.0000 0.0000 34328.7337 -149253.4949 299.8014 -183582.2286 -149151.2076 299.2665 -129.2362 -97.4976 559354.3514 -15.1586 -14.9562 PRESSURE: 1584200 173.113 9.51376 32.0654 9.51409 53.3043 -42.5257 32.0676 -42.5257 92.6968 GPRESSURE: 1584200 144.712 -22.6359 48.216 72.6158 164.503 -6.61195 66.2338 -108.726 100.002 PRESSAVG: 1584200 -1.83896 15.5319 -41.0706 15.5318 29.83 32.6362 -41.0705 32.6363 -45.802 GPRESSAVG: 1584200 -3.57619 14.8325 -44.208 14.7545 31.0727 30.7287 -38.3209 34.2873 -45.0018 TIMING: 1584200 CPU: 4712.49, 0.002959/step Wall: 4712.49, 0.002959/step, 2.8076 hours remaining, 206.710938 MB of memory in use. ENERGY: 1584200 742.3938 2126.0203 1926.1170 122.9892 -206763.0027 18207.9535 0.0000 0.0000 34276.2859 -149361.2432 299.3433 -183637.5291 -149261.8921 298.8572 106.3715 136.4056 557305.1960 -5.9370 -5.8351 LDB: ============= START OF LOAD BALANCING ============== 4715.91 LDB: ============== END OF LOAD BALANCING =============== 4715.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4715.92 LDB: ============= START OF LOAD BALANCING ============== 4716.22 LDB: Largest compute 4821 load 0.026048 is 22.1% of average load 0.117940 LDB: Average compute 0.001714 is 1.5% of average load 0.117940 LDB: TIME 4716.22 LOAD: AVG 0.11794 MAX 0.19847 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 4716.22 LOAD: AVG 0.11794 MAX 0.19847 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: TIME 4716.22 LOAD: AVG 0.11794 MAX 0.19847 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4716.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4716.23 PRESSURE: 1584400 200.585 3.71026 -10.5007 3.71116 54.4276 -64.5027 -10.5008 -64.5032 302.426 GPRESSURE: 1584400 226.543 -26.8048 77.9972 -41.279 127.469 -37.0534 -48.2415 -106.664 297.829 PRESSAVG: 1584400 58.3427 23.4961 14.7198 23.4961 -7.0391 39.699 14.7198 39.6991 -0.974152 GPRESSAVG: 1584400 58.6307 24.867 14.5175 22.2396 -7.19683 40.9754 14.1271 40.4087 -0.994423 TIMING: 1584400 CPU: 4713.1, 0.00304778/step Wall: 4713.1, 0.00304778/step, 2.89167 hours remaining, 206.511719 MB of memory in use. ENERGY: 1584400 767.1780 2102.3409 1922.8395 100.9900 -206689.4468 18161.6627 0.0000 0.0000 34282.0169 -149352.4188 299.3934 -183634.4358 -149245.6645 298.5129 185.8128 217.2804 556470.9833 16.7765 16.8132 PRESSURE: 1584600 -123.021 23.048 97.9186 23.0492 -150.073 44.737 97.9178 44.7372 -1.2531 GPRESSURE: 1584600 -72.2694 20.0526 123.933 26.9311 -88.0394 125.708 182.644 -28.6776 -11.9176 PRESSAVG: 1584600 -26.1052 26.9283 26.1737 26.9284 -8.04899 -5.55722 26.1736 -5.55729 52.82 GPRESSAVG: 1584600 -25.612 27.0143 28.6996 29.0893 -9.69609 -5.2585 26.565 -6.20981 53.413 TIMING: 1584600 CPU: 4713.69, 0.0029939/step Wall: 4713.69, 0.0029939/step, 2.84038 hours remaining, 206.714844 MB of memory in use. ENERGY: 1584600 752.1418 2133.7997 1924.7844 118.3092 -206147.8500 17726.1292 0.0000 0.0000 34138.2185 -149354.4672 298.1376 -183492.6858 -149259.8031 298.9842 -91.4489 -57.4088 557159.3268 6.2219 6.0350 PRESSURE: 1584800 35.5896 -72.0048 -49.8817 -72.0053 154.527 -158.316 -49.8812 -158.315 242.004 GPRESSURE: 1584800 79.2113 -93.1262 -138.06 -128.761 181.299 -75.0299 -66.8603 -152.113 266.306 PRESSAVG: 1584800 -41.0929 -41.3737 46.7183 -41.3737 68.6663 13.1988 46.7182 13.1988 -26.6944 GPRESSAVG: 1584800 -40.6564 -42.3964 46.0981 -42.2656 68.7057 14.6264 44.1548 12.4641 -27.0199 TIMING: 1584800 CPU: 4714.29, 0.00297378/step Wall: 4714.29, 0.00297378/step, 2.82112 hours remaining, 206.714844 MB of memory in use. ENERGY: 1584800 734.5975 2096.4597 1936.1290 119.5259 -206682.5733 18152.5055 0.0000 0.0000 34152.5404 -149490.8155 298.2626 -183643.3559 -149390.8377 298.4434 144.0401 175.6054 555599.8753 0.2930 0.3431 PRESSURE: 1585000 -66.8629 -94.3424 22.4748 -94.342 37.8775 -41.8268 22.4759 -41.8269 45.6035 GPRESSURE: 1585000 5.42293 -67.5486 44.6091 -79.3027 61.4748 -114.032 42.2302 2.49831 57.807 PRESSAVG: 1585000 -85.3949 -7.97213 10.2015 -7.97209 25.3402 -24.4703 10.2016 -24.4702 37.7971 GPRESSAVG: 1585000 -84.8197 -7.41949 9.43726 -9.06989 25.2849 -25.2601 10.6564 -25.1413 37.6215 TIMING: 1585000 CPU: 4714.88, 0.00296088/step Wall: 4714.88, 0.00296088/step, 2.80872 hours remaining, 206.714844 MB of memory in use. ENERGY: 1585000 734.0979 2041.0041 1964.3241 114.2549 -206168.0662 17858.6627 0.0000 0.0000 34066.6379 -149389.0846 297.5124 -183455.7225 -149294.7438 298.4281 5.5394 41.5682 557389.9631 -7.4192 -7.3044 PRESSURE: 1585200 27.5518 57.6561 64.1854 57.6546 -106.5 75.8278 64.1848 75.8274 85.571 GPRESSURE: 1585200 44.0802 47.8794 63.1592 77.2284 -93.5323 32.0634 73.2121 48.2824 149.858 PRESSAVG: 1585200 -1.81774 51.0216 16.4649 51.0214 -57.479 -13.471 16.4649 -13.4708 71.1235 GPRESSAVG: 1585200 -1.67843 48.3983 17.9005 52.2669 -57.7562 -14.2741 17.6322 -11.7109 71.6096 TIMING: 1585200 CPU: 4715.48, 0.00298293/step Wall: 4715.48, 0.00298293/step, 2.82948 hours remaining, 206.714844 MB of memory in use. ENERGY: 1585200 766.1513 2073.5760 1928.2132 114.9764 -206352.0025 17937.7227 0.0000 0.0000 34122.8648 -149408.4981 298.0035 -183531.3629 -149316.5508 298.4191 2.2075 33.4687 557275.8524 3.9422 4.0583 PRESSURE: 1585400 -323.762 -77.6572 -102.331 -77.6563 -213.24 -101.341 -102.331 -101.342 -24.3193 GPRESSURE: 1585400 -253.359 -11.5511 -86.7981 -148.47 -206.639 -117.867 -70.296 -129.275 17.6275 PRESSAVG: 1585400 -49.3938 60.4563 -14.9411 60.4564 -6.8932 -57.3143 -14.941 -57.3144 74.5493 GPRESSAVG: 1585400 -49.6075 62.8913 -16.3366 61.2528 -6.45842 -56.4686 -15.5005 -59.0556 74.1688 TIMING: 1585400 CPU: 4716.08, 0.00299352/step Wall: 4716.08, 0.00299352/step, 2.83935 hours remaining, 206.714844 MB of memory in use. ENERGY: 1585400 719.9295 2049.5359 1937.9873 117.2086 -205911.8943 17575.0465 0.0000 0.0000 34058.2384 -149453.9481 297.4391 -183512.1865 -149350.6116 298.3522 -187.1070 -147.4569 559005.5706 6.0874 6.0343 PRESSURE: 1585600 -268.994 188.436 -301.197 188.436 -41.6371 7.93051 -301.197 7.93022 81.0949 GPRESSURE: 1585600 -173.778 120.612 -298.785 185.022 -11.6577 -9.31978 -228.421 -56.6927 51.4013 PRESSAVG: 1585600 -58.0656 40.3408 -11.0392 40.341 26.2319 -42.9161 -11.0392 -42.9161 20.823 GPRESSAVG: 1585600 -58.4227 40.6273 -9.45154 38.6589 27.415 -44.6214 -11.103 -41.9424 19.8037 TIMING: 1585600 CPU: 4716.68, 0.00299298/step Wall: 4716.68, 0.00299298/step, 2.83868 hours remaining, 206.714844 MB of memory in use. ENERGY: 1585600 769.9016 2085.8370 1914.3494 107.9586 -206236.2362 17930.0875 0.0000 0.0000 34288.4317 -149139.6703 299.4494 -183428.1021 -149052.4616 298.3614 -76.5121 -44.6781 559315.3763 -3.6702 -3.7347 PRESSURE: 1585800 113.512 12.5947 152.221 12.5942 -98.5913 -120.541 152.221 -120.541 234.512 GPRESSURE: 1585800 119.485 10.4576 143.094 15.6324 -56.0963 -97.6994 96.9433 -118.65 284.008 PRESSAVG: 1585800 6.38633 62.0698 18.3419 62.0698 2.11654 -33.1853 18.3418 -33.1855 -23.887 GPRESSAVG: 1585800 6.33115 62.1065 18.4872 62.9743 0.418042 -30.0323 16.5697 -34.5394 -22.8203 TIMING: 1585800 CPU: 4717.27, 0.00296626/step Wall: 4717.27, 0.00296627/step, 2.81317 hours remaining, 206.714844 MB of memory in use. ENERGY: 1585800 722.3462 2091.3397 1944.2331 111.7138 -205876.1824 17826.1123 0.0000 0.0000 34214.1539 -148966.2833 298.8007 -183180.4372 -148871.7295 299.2214 83.1442 115.7987 558642.1607 -5.1280 -5.3570 PRESSURE: 1586000 -27.1392 -117.009 -21.4179 -117.009 -104.15 53.2261 -21.4179 53.226 107.103 GPRESSURE: 1586000 3.42679 -126.776 -2.94502 -66.037 -126.095 -81.7753 -31.134 162.849 189.205 PRESSAVG: 1586000 33.9802 32.2025 -45.5311 32.2025 -52.5995 -25.7212 -45.5311 -25.7211 22.6787 GPRESSAVG: 1586000 33.6618 29.8085 -46.9735 34.9814 -52.2147 -27.2431 -43.594 -24.2085 22.6239 TIMING: 1586000 CPU: 4717.86, 0.00296356/step Wall: 4717.86, 0.00296356/step, 2.81044 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: 1586000 758.4906 2102.8812 1949.1592 124.4420 -205838.5754 17737.4937 0.0000 0.0000 34218.3555 -148947.7532 298.8374 -183166.1087 -148851.8313 299.0759 -8.0621 22.1792 559435.0303 1.3531 1.3570 PRESSURE: 1586200 -134.117 29.3104 -126.574 29.3104 -470.705 -21.85 -126.574 -21.8494 -116.677 GPRESSURE: 1586200 -104.442 8.06238 -152.409 42.0099 -398.44 -77.5478 -68.8116 -39.6801 -116.402 PRESSAVG: 1586200 17.0936 64.4285 -23.4973 64.4285 -85.9953 -7.2577 -23.4973 -7.25764 65.8423 GPRESSAVG: 1586200 16.6059 66.0609 -21.5896 61.764 -85.4867 -5.92602 -23.7494 -9.48845 65.8568 TIMING: 1586200 CPU: 4718.46, 0.00297015/step Wall: 4718.46, 0.00297015/step, 2.81653 hours remaining, 206.714844 MB of memory in use. ENERGY: 1586200 733.7460 2095.3279 1952.1814 112.2369 -205503.8328 17459.5441 0.0000 0.0000 34240.6296 -148910.1669 299.0319 -183150.7966 -148811.3926 299.5540 -240.4997 -206.4282 560513.9544 -1.0198 -1.0080 PRESSURE: 1586400 275.531 -1.48222 61.6594 -1.48415 -209.595 47.036 61.6598 47.0372 -47.3046 GPRESSURE: 1586400 283.635 54.4055 85.5332 -23.9279 -143.832 112.321 36.2292 30.5502 -14.8311 PRESSAVG: 1586400 18.0908 19.3438 -16.4212 19.3439 -40.6853 -9.04416 -16.4211 -9.0442 43.0294 GPRESSAVG: 1586400 18.9268 20.5442 -18.5599 17.5839 -41.1823 -10.605 -17.1282 -6.48167 42.4868 TIMING: 1586400 CPU: 4719.05, 0.00296849/step Wall: 4719.05, 0.00296849/step, 2.81479 hours remaining, 206.714844 MB of memory in use. ENERGY: 1586400 754.0166 2081.9832 1957.9532 108.5162 -206212.1730 17994.9947 0.0000 0.0000 34125.3901 -149189.3190 298.0255 -183314.7092 -149096.6828 299.5341 6.2104 41.6572 558511.6447 6.8116 6.7437 PRESSURE: 1586600 27.4271 118.035 231.157 118.033 -241.072 -43.9141 231.157 -43.9138 0.149176 GPRESSURE: 1586600 69.906 57.8644 334.355 147.937 -210.631 -33.5133 166.635 -115.968 34.8414 PRESSAVG: 1586600 76.6469 -15.0247 56.9585 -15.0247 -62.757 -65.7139 56.9584 -65.714 5.8377 GPRESSAVG: 1586600 76.172 -14.5919 57.2466 -14.0219 -62.5815 -65.2332 57.4932 -66.9565 6.24408 TIMING: 1586600 CPU: 4719.64, 0.00295507/step Wall: 4719.64, 0.00295507/step, 2.8019 hours remaining, 206.714844 MB of memory in use. ENERGY: 1586600 803.4143 2066.0588 1906.7999 99.7195 -206272.1597 17886.4016 0.0000 0.0000 34250.9378 -149258.8278 299.1220 -183509.7655 -149160.8252 299.5743 -71.1652 -35.2946 558698.1139 6.5758 6.6115 PRESSURE: 1586800 -97.2758 -56.8586 101.495 -56.8588 -7.57922 272.107 101.495 272.106 334.079 GPRESSURE: 1586800 -69.231 -23.0929 127.132 -93.8697 23.9346 244.115 125.856 275.448 374.167 PRESSAVG: 1586800 -6.49384 -22.0562 4.21376 -22.0562 -10.1344 -18.8692 4.21373 -18.8691 6.4519 GPRESSAVG: 1586800 -6.11508 -23.0304 5.08738 -21.0531 -9.7414 -20.1375 4.3974 -17.5417 5.75966 TIMING: 1586800 CPU: 4720.23, 0.00296154/step Wall: 4720.23, 0.00296154/step, 2.80787 hours remaining, 206.714844 MB of memory in use. ENERGY: 1586800 772.8238 2062.5591 1946.4022 116.5611 -206433.8218 18099.0067 0.0000 0.0000 34133.0155 -149303.4533 298.0921 -183436.4689 -149224.3097 299.1091 76.4081 109.6234 558318.7410 -3.3921 -3.3656 PRESSURE: 1587000 -38.039 -74.0461 -94.9959 -74.0464 -262.835 10.3217 -94.9956 10.3211 -123.183 GPRESSURE: 1587000 -40.7844 -27.1718 -102.424 -44.019 -166.563 -25.5675 -171.733 4.61131 -108.46 PRESSAVG: 1587000 -12.8685 -29.2008 -41.9099 -29.2007 -18.6305 19.5118 -41.91 19.5117 33.5487 GPRESSAVG: 1587000 -12.2206 -29.6399 -42.0068 -29.7383 -18.7605 22.9118 -41.832 16.4393 33.3062 TIMING: 1587000 CPU: 4720.82, 0.00295718/step Wall: 4720.82, 0.00295718/step, 2.80357 hours remaining, 206.714844 MB of memory in use. ENERGY: 1587000 747.4891 2046.1993 1956.0961 122.2035 -206163.5873 17694.7323 0.0000 0.0000 34309.8327 -149287.0344 299.6363 -183596.8671 -149187.9004 299.3590 -141.3522 -105.2691 558208.2467 0.6832 0.7751 PRESSURE: 1587200 -360.133 -12.8097 -40.0256 -12.8096 -192.965 -35.3037 -40.0228 -35.3028 -183.628 GPRESSURE: 1587200 -344.947 28.4919 -92.8372 16.8191 -169.642 -77.8623 33.2062 22.1388 -137.771 PRESSAVG: 1587200 3.14654 13.4687 16.0465 13.4687 -51.8126 21.6809 16.0466 21.6809 29.5612 GPRESSAVG: 1587200 3.09345 14.096 14.002 12.6991 -52.2323 18.2356 16.1464 24.6112 29.9804 TIMING: 1587200 CPU: 4721.42, 0.00297302/step Wall: 4721.42, 0.00297302/step, 2.81843 hours remaining, 206.714844 MB of memory in use. ENERGY: 1587200 743.0414 2072.9767 1938.5486 109.1984 -205719.3619 17467.3692 0.0000 0.0000 34140.8721 -149247.3555 298.1607 -183388.2276 -149149.8134 298.9297 -245.5752 -217.4531 558632.7561 -6.3683 -6.3862 PRESSURE: 1587400 -131.959 -54.2131 -255.301 -54.2125 -263.272 -134.852 -255.302 -134.851 -158.075 GPRESSURE: 1587400 -150.151 -154.825 -150.949 45.8111 -181.008 -42.4506 -184.35 -200.805 -131.59 PRESSAVG: 1587400 32.2495 -13.5114 -44.8153 -13.5115 -78.2034 -60.1137 -44.8153 -60.1136 30.7239 GPRESSAVG: 1587400 30.8172 -14.8996 -44.0252 -13.6172 -77.208 -60.0285 -44.3197 -60.7119 31.1155 TIMING: 1587400 CPU: 4722.01, 0.00296387/step Wall: 4722.01, 0.00296387/step, 2.80959 hours remaining, 206.714844 MB of memory in use. ENERGY: 1587400 731.3155 2100.1998 1950.2480 116.3127 -206118.6399 17444.6503 0.0000 0.0000 34470.7909 -149305.1227 301.0420 -183775.9136 -149215.5360 299.6673 -184.4352 -154.2499 557794.6405 -5.0767 -5.0918 PRESSURE: 1587600 62.2618 55.9256 -45.4505 55.9243 -28.5221 -176.26 -45.4498 -176.261 72.904 GPRESSURE: 1587600 103.597 22.7861 -1.71469 69.9155 19.5285 -181.585 -34.7398 -78.5928 78.4377 PRESSAVG: 1587600 -44.1768 20.5477 -31.6046 20.5477 -10.7482 -26.9876 -31.6048 -26.9876 9.30329 GPRESSAVG: 1587600 -43.2613 22.776 -32.2692 20.1822 -10.4402 -25.7462 -32.0087 -25.7887 8.56179 TIMING: 1587600 CPU: 4722.6, 0.00295911/step Wall: 4722.6, 0.00295912/step, 2.80491 hours remaining, 206.714844 MB of memory in use. ENERGY: 1587600 754.1372 2051.1839 1966.8761 123.2041 -205981.9321 17621.4489 0.0000 0.0000 34349.8384 -149115.2436 299.9857 -183465.0820 -149018.7550 300.7749 35.5479 67.1878 556462.3344 -15.2072 -15.0466 PRESSURE: 1587800 43.842 -80.0938 23.0526 -80.0928 -10.5909 -98.9314 23.0527 -98.9321 119.957 GPRESSURE: 1587800 60.2483 -135.459 18.155 -121.457 41.9031 -151.362 -25.7567 -56.6694 157.778 PRESSAVG: 1587800 -5.29005 34.0139 26.9902 34.0139 19.941 22.7638 26.9902 22.7637 21.3815 GPRESSAVG: 1587800 -5.35777 31.572 30.2249 35.3151 18.9461 21.8904 26.9827 22.0356 21.8207 TIMING: 1587800 CPU: 4723.2, 0.002975/step Wall: 4723.2, 0.002975/step, 2.81981 hours remaining, 206.714844 MB of memory in use. ENERGY: 1587800 748.9384 2105.8471 1979.9024 108.1326 -206549.6530 18141.3812 0.0000 0.0000 34395.6779 -149069.7735 300.3860 -183465.4513 -148978.3485 300.3147 51.0694 86.6432 556463.5778 12.0108 11.8030 PRESSURE: 1588000 161.447 107.148 -46.1937 107.147 -20.7606 79.7534 -46.1939 79.7548 64.2462 GPRESSURE: 1588000 202.807 131.762 -89.0215 133.986 51.2415 74.871 -75.4892 77.9735 51.8656 PRESSAVG: 1588000 -25.3611 19.7928 -63.3732 19.7929 49.9897 -47.6382 -63.3732 -47.6382 10.3357 GPRESSAVG: 1588000 -26.5785 19.846 -64.6698 20.749 50.3326 -47.7803 -65.6209 -48.8594 11.2934 TIMING: 1588000 CPU: 4723.8, 0.00300006/step Wall: 4723.8, 0.00300006/step, 2.84339 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: 1588000 725.3476 2076.5114 1967.1014 122.3393 -206143.5161 17855.8407 0.0000 0.0000 34430.2749 -148966.1009 300.6882 -183396.3758 -148854.5576 300.0779 68.3110 101.9714 556364.3191 11.6548 11.6825 PRESSURE: 1588200 131.97 -13.6848 -113.223 -13.6843 173.99 148.872 -113.223 148.871 268.483 GPRESSURE: 1588200 182.974 -17.724 -142.523 16.7214 267.376 177.706 -149.949 136.018 222.304 PRESSAVG: 1588200 2.586 77.0926 -42.3948 77.0927 19.565 39.5762 -42.3948 39.5761 -9.58096 GPRESSAVG: 1588200 3.8251 76.0257 -42.7519 75 19.8197 40.417 -40.7759 39.6966 -11.2575 TIMING: 1588200 CPU: 4724.4, 0.00298704/step Wall: 4724.4, 0.00298704/step, 2.83089 hours remaining, 206.714844 MB of memory in use. ENERGY: 1588200 738.7708 2087.6801 1952.1875 128.2654 -206274.6165 18017.4158 0.0000 0.0000 34406.1756 -148944.1214 300.4777 -183350.2970 -148853.3696 300.3791 191.4806 224.2182 557258.3791 4.1900 4.1291 LDB: ============= START OF LOAD BALANCING ============== 4727.82 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4727.82 LDB: =============== DONE WITH MIGRATION ================ 4727.82 LDB: ============= START OF LOAD BALANCING ============== 4728.12 LDB: Largest compute 4821 load 0.026825 is 22.7% of average load 0.117982 LDB: Average compute 0.001716 is 1.5% of average load 0.117982 LDB: TIME 4728.12 LOAD: AVG 0.117982 MAX 0.200577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 4728.12 LOAD: AVG 0.117982 MAX 0.200577 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: TIME 4728.12 LOAD: AVG 0.117982 MAX 0.200577 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: ============== END OF LOAD BALANCING =============== 4728.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4728.13 PRESSURE: 1588400 -384.732 54.4881 -49.4265 54.4869 26.4271 67.8409 -49.4254 67.8426 -44.8049 GPRESSURE: 1588400 -408.341 80.1576 -122.432 83.8786 25.9381 32.5089 -28.1396 94.4765 67.1504 PRESSAVG: 1588400 -59.6493 3.55703 -29.885 3.55706 60.9874 8.25283 -29.885 8.25286 4.51098 GPRESSAVG: 1588400 -59.933 5.97247 -29.327 3.21363 60.4094 6.47536 -30.4747 10.7658 5.01088 TIMING: 1588400 CPU: 4725, 0.00302371/step Wall: 4725, 0.00302371/step, 2.86547 hours remaining, 206.308594 MB of memory in use. ENERGY: 1588400 744.8290 2034.6849 1940.5264 112.5871 -205597.2630 17479.6307 0.0000 0.0000 34492.4459 -148792.5590 301.2311 -183285.0050 -148691.4762 299.9754 -134.3699 -105.0843 558475.5463 1.9497 1.8291 PRESSURE: 1588600 -100.328 114.577 226.92 114.577 -328.279 46.7875 226.919 46.7868 -158.164 GPRESSURE: 1588600 -52.6565 129.506 195.319 100.277 -273.705 73.2874 203.221 27.8545 -157.526 PRESSAVG: 1588600 -86.2772 2.04359 25.7122 2.04364 40.4123 3.20574 25.7122 3.20573 -34.1243 GPRESSAVG: 1588600 -84.5175 0.945006 25.8642 2.58829 39.5619 5.63096 25.252 2.95516 -34.7072 TIMING: 1588600 CPU: 4725.59, 0.00296858/step Wall: 4725.59, 0.00296858/step, 2.81306 hours remaining, 206.511719 MB of memory in use. ENERGY: 1588600 778.3984 2064.4919 1936.1877 119.8143 -205669.2138 17703.6211 0.0000 0.0000 34284.6565 -148782.0439 299.4164 -183066.7004 -148678.1664 300.4298 -195.5905 -161.2958 558133.1622 -26.6630 -26.5543 PRESSURE: 1588800 -14.1641 -81.3057 -82.0511 -81.3055 76.7951 -14.8282 -82.0515 -14.8316 -13.2187 GPRESSURE: 1588800 54.6973 5.15964 -110.475 -37.3504 78.1242 -20.9842 -121.881 -16.5701 12.6608 PRESSAVG: 1588800 -23.5785 -55.301 7.74722 -55.301 42.8417 -30.4705 7.74712 -30.4704 -2.41817 GPRESSAVG: 1588800 -24.016 -55.2621 5.33397 -55.0481 43.4029 -30.2353 9.9658 -32.3216 -2.76411 TIMING: 1588800 CPU: 4726.19, 0.00298555/step Wall: 4726.19, 0.00298555/step, 2.82898 hours remaining, 206.511719 MB of memory in use. ENERGY: 1588800 712.7121 2126.1070 1913.7239 118.9897 -206184.1904 17696.3958 0.0000 0.0000 34677.2662 -148938.9957 302.8452 -183616.2619 -148846.0705 300.0217 16.4708 48.4941 555667.6841 5.6150 5.5409 PRESSURE: 1589000 -156.593 164.004 -71.5963 164.004 218.156 -7.0249 -71.5964 -7.02291 75.9164 GPRESSURE: 1589000 -59.6066 188.067 -119.336 126.722 230.831 63.0536 -34.7782 -19.3897 62.1053 PRESSAVG: 1589000 10.912 20.5622 79.1236 20.5622 -3.00452 -56.6262 79.1236 -56.6261 8.1657 GPRESSAVG: 1589000 10.3337 21.3488 79.1759 21.3261 -2.89124 -57.2425 76.3102 -55.796 8.16886 TIMING: 1589000 CPU: 4726.78, 0.00296775/step Wall: 4726.78, 0.00296775/step, 2.81195 hours remaining, 206.511719 MB of memory in use. ENERGY: 1589000 720.9344 2049.8607 1937.8079 114.5093 -205899.3525 17690.7650 0.0000 0.0000 34396.3561 -148989.1191 300.3919 -183385.4752 -148891.3481 299.2759 45.8266 77.7766 555696.3801 5.3577 5.2038 PRESSURE: 1589200 110.178 -43.4112 -46.5966 -43.4107 -28.8978 201.551 -46.5964 201.55 250.092 GPRESSURE: 1589200 255.925 -23.1707 -33.6891 -7.95193 -12.314 180.119 34.6239 207.039 193.959 PRESSAVG: 1589200 48.2589 -2.76238 6.44218 -2.76237 -14.9121 -4.02239 6.4422 -4.02223 5.86474 GPRESSAVG: 1589200 48.4348 -3.51664 7.77035 -2.54872 -14.0535 -2.77749 8.04852 -3.38742 5.09204 TIMING: 1589200 CPU: 4727.38, 0.00298129/step Wall: 4727.38, 0.00298129/step, 2.82461 hours remaining, 206.511719 MB of memory in use. ENERGY: 1589200 747.0297 2081.7288 1954.5433 115.1626 -206133.9358 17876.5917 0.0000 0.0000 34201.4515 -149157.4282 298.6898 -183358.8796 -149059.3654 299.7421 110.4573 145.8568 555453.8124 13.0705 13.1578 PRESSURE: 1589400 219.298 -116.244 240.828 -116.244 55.0637 -78.7487 240.829 -78.7479 -8.80514 GPRESSURE: 1589400 301.981 -132.167 195.349 -148.214 75.2711 -16.6079 228.733 -108.699 -8.71377 PRESSAVG: 1589400 -2.32971 -3.31976 12.6664 -3.31982 -41.8101 26.9654 12.6664 26.9654 34.0753 GPRESSAVG: 1589400 -1.87418 -1.55235 11.9485 -4.58656 -42.448 25.7377 11.936 27.6089 34.4985 TIMING: 1589400 CPU: 4727.98, 0.00299256/step Wall: 4727.98, 0.00299256/step, 2.83512 hours remaining, 206.511719 MB of memory in use. ENERGY: 1589400 738.8593 2113.7139 1949.3465 115.1824 -206055.1086 17837.3450 0.0000 0.0000 34178.9425 -149121.7189 298.4932 -183300.6614 -149033.4873 299.3181 88.5190 122.8462 555679.4653 -3.3548 -3.2746 PRESSURE: 1589600 -1.83544 27.0115 -301.174 27.0111 -229.915 -36.154 -301.174 -36.1542 -208.984 GPRESSURE: 1589600 8.40289 44.2225 -301.712 -67.6825 -191.091 -29.5368 -238.874 -11.9441 -165.909 PRESSAVG: 1589600 30.1571 20.7847 -27.5096 20.7848 -10.5617 -25.5017 -27.5095 -25.5016 -24.3938 GPRESSAVG: 1589600 29.1288 19.3854 -26.6698 21.0937 -10.9784 -25.5628 -26.1442 -25.5367 -22.8084 TIMING: 1589600 CPU: 4728.58, 0.00299566/step Wall: 4728.58, 0.00299566/step, 2.83789 hours remaining, 206.511719 MB of memory in use. ENERGY: 1589600 748.9609 2087.0117 1940.7042 111.7829 -205874.1319 17555.9975 0.0000 0.0000 34278.9461 -149150.7286 299.3666 -183429.6747 -149046.9238 299.0911 -146.9112 -116.1992 558102.1521 -1.5995 -1.5527 PRESSURE: 1589800 -80.4118 83.659 128.823 83.6583 -35.4442 -37.6458 128.823 -37.647 -44.9301 GPRESSURE: 1589800 -27.5986 33.5879 34.6679 117.252 -20.466 -66.9355 137.641 -63.2502 -8.39972 PRESSAVG: 1589800 -38.6531 52.0052 -11.5664 52.0052 18.7234 -20.3422 -11.5664 -20.3423 35.5968 GPRESSAVG: 1589800 -37.9256 52.8268 -11.9931 50.9309 19.2802 -20.3575 -13.5295 -21.28 34.3511 TIMING: 1589800 CPU: 4729.18, 0.00298955/step Wall: 4729.18, 0.00298955/step, 2.83194 hours remaining, 206.511719 MB of memory in use. ENERGY: 1589800 746.4206 2104.5592 1932.9082 115.7064 -206104.4674 17517.9815 0.0000 0.0000 34474.4405 -149212.4509 301.0739 -183686.8914 -149113.0886 299.8053 -53.5954 -18.8215 557614.9004 5.2223 5.2352 PRESSURE: 1590000 -33.3477 18.4292 101.069 18.4293 80.0854 -194.191 101.069 -194.193 -38.5538 GPRESSURE: 1590000 -51.372 144.38 38.4144 -9.33719 131.607 -299.093 98.3365 -139.881 20.3543 PRESSAVG: 1590000 -10.136 23.9799 20.5122 23.9798 -10.4289 -20.8175 20.5122 -20.8175 13.1783 GPRESSAVG: 1590000 -9.29521 25.357 21.6267 24.0453 -11.3778 -21.3728 20.3396 -19.8072 13.3853 TIMING: 1590000 CPU: 4729.77, 0.00298461/step Wall: 4729.77, 0.00298461/step, 2.82709 hours remaining, 206.511719 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: 1590000 743.4550 2091.2517 1944.1899 124.3160 -205847.9634 17591.6849 0.0000 0.0000 34258.5166 -149094.5493 299.1881 -183353.0659 -149004.8976 299.1187 2.7280 33.5299 557081.5775 -2.4622 -2.4292 PRESSURE: 1590200 23.5337 93.3281 -86.6572 93.3281 113.198 166.834 -86.6574 166.833 282.031 GPRESSURE: 1590200 86.4618 140.728 -157.271 29.3619 144.894 146.557 -48.7401 155.954 283.104 PRESSAVG: 1590200 -16.4222 14.4148 62.9201 14.4147 3.49885 9.58556 62.9201 9.58549 42.3707 GPRESSAVG: 1590200 -16.424 12.783 60.9198 15.3275 3.49935 9.45977 64.8484 8.68352 41.9912 TIMING: 1590200 CPU: 4730.37, 0.00300686/step Wall: 4730.37, 0.00300686/step, 2.848 hours remaining, 206.511719 MB of memory in use. ENERGY: 1590200 746.9282 2081.1936 1948.5695 115.3570 -206433.8089 17966.5870 0.0000 0.0000 34357.2462 -149217.9275 300.0504 -183575.1737 -149121.0011 299.4483 139.5877 171.4867 555233.4900 9.8158 9.6888 PRESSURE: 1590400 -53.6072 63.2974 -9.28781 63.2959 -284.962 -49.0974 -9.28807 -49.095 -317.365 GPRESSURE: 1590400 -52.922 30.838 -54.3673 -13.279 -284.096 -96.6232 -45.855 -96.948 -216.205 PRESSAVG: 1590400 -41.3037 15.2667 -49.069 15.2667 -10.8224 -16.8213 -49.0689 -16.8213 73.2313 GPRESSAVG: 1590400 -42.8706 17.2271 -48.4034 14.9598 -11.3905 -16.032 -50.1339 -15.7566 74.9112 TIMING: 1590400 CPU: 4730.98, 0.00301809/step Wall: 4730.98, 0.00301809/step, 2.85847 hours remaining, 206.511719 MB of memory in use. ENERGY: 1590400 755.0707 2079.0094 1947.0174 120.9625 -205695.7683 17428.2762 0.0000 0.0000 34124.9000 -149240.5322 298.0212 -183365.4322 -149144.6584 299.1922 -218.6448 -184.4077 557514.0086 7.0351 6.8834 PRESSURE: 1590600 4.54071 74.9261 36.6261 74.9255 -102.19 -14.3892 36.6259 -14.3888 -148.213 GPRESSURE: 1590600 39.9614 88.9242 122.148 63.0201 -57.7013 -18.2084 37.564 12.2353 -139.761 PRESSAVG: 1590600 4.47649 -20.8808 -19.3891 -20.8809 -12.6957 -7.47653 -19.3893 -7.47642 32.3082 GPRESSAVG: 1590600 4.61856 -22.3964 -17.6432 -19.8591 -11.6465 -8.69168 -19.9748 -7.70308 30.9779 TIMING: 1590600 CPU: 4731.58, 0.00301508/step Wall: 4731.58, 0.00301508/step, 2.85545 hours remaining, 206.511719 MB of memory in use. ENERGY: 1590600 790.8144 2034.1813 1909.6716 133.2028 -206123.6173 17698.5651 0.0000 0.0000 34364.4997 -149192.6824 300.1137 -183557.1821 -149091.6508 299.7527 -81.9541 -52.5001 556486.3089 8.0297 7.9833 PRESSURE: 1590800 283.289 197.572 -92.0788 197.574 -156.661 -134.375 -92.0799 -134.375 380.439 GPRESSURE: 1590800 354.021 176.652 -52.4775 177.077 -137.916 -78.4379 -113.555 -166.559 390.166 PRESSAVG: 1590800 -1.07057 -12.6399 -11.8804 -12.6399 -16.997 -31.4966 -11.8804 -31.4966 38.7433 GPRESSAVG: 1590800 -0.0675892 -10.4513 -13.6563 -14.7578 -17.985 -30.3259 -9.41464 -33.8447 39.0462 TIMING: 1590800 CPU: 4732.18, 0.00300351/step Wall: 4732.18, 0.00300351/step, 2.84432 hours remaining, 206.511719 MB of memory in use. ENERGY: 1590800 722.1369 2081.2302 1964.8540 116.5792 -206049.0138 18001.4128 0.0000 0.0000 34137.4908 -149025.3099 298.1312 -183162.8008 -148929.5830 299.5681 169.0222 202.0903 557664.1766 6.8919 6.9979 PRESSURE: 1591000 25.3557 -79.475 -68.5563 -79.4748 187.403 -109.778 -68.556 -109.777 -15.217 GPRESSURE: 1591000 32.5332 -51.9081 -74.7293 -80.9629 256.879 -131.242 -64.3544 -52.3768 15.8568 PRESSAVG: 1591000 -50.8413 -8.29308 -17.2805 -8.29312 -57.3193 -5.09758 -17.2805 -5.0975 24.1335 GPRESSAVG: 1591000 -50.623 -9.59519 -16.0184 -8.59381 -55.8702 -5.29613 -21.6442 -3.07269 22.4401 TIMING: 1591000 CPU: 4732.78, 0.00300167/step Wall: 4732.78, 0.00300167/step, 2.84241 hours remaining, 206.511719 MB of memory in use. ENERGY: 1591000 719.5826 2119.1751 1947.0204 101.6106 -205793.5749 17693.1403 0.0000 0.0000 34111.4295 -149101.6163 297.9036 -183213.0458 -149003.1501 299.1417 65.8472 101.7563 557210.7609 -28.0090 -28.0177 PRESSURE: 1591200 -91.8459 73.4861 -154.786 73.4857 291.216 -30.0643 -154.785 -30.0655 20.0116 GPRESSURE: 1591200 -65.8266 30.3319 -146.255 98.7694 289.127 -84.5667 -54.2069 -55.7953 90.0099 PRESSAVG: 1591200 2.73966 -15.0959 -22.9612 -15.0959 30.8179 -29.1795 -22.9612 -29.1794 6.62861 GPRESSAVG: 1591200 2.00569 -14.203 -22.7116 -13.6987 29.3498 -30.0678 -21.3893 -30.4588 9.02328 TIMING: 1591200 CPU: 4733.38, 0.00298479/step Wall: 4733.38, 0.00298479/step, 2.82627 hours remaining, 206.511719 MB of memory in use. ENERGY: 1591200 705.8633 2078.4052 1955.1971 109.5087 -205918.3337 17782.3020 0.0000 0.0000 34143.3891 -149143.6683 298.1827 -183287.0574 -149051.0297 299.2847 73.1273 104.4367 556161.3382 13.3954 13.4596 PRESSURE: 1591400 73.6374 9.9653 -93.7944 9.96573 83.7206 20.1921 -93.7944 20.1923 121.297 GPRESSURE: 1591400 110.793 19.341 -107.005 -51.107 126.539 -25.229 -13.8577 66.8134 136.762 PRESSAVG: 1591400 -23.7443 2.04377 -29.6986 2.04377 -38.4781 6.48478 -29.6986 6.48476 16.3578 GPRESSAVG: 1591400 -22.8872 2.32961 -28.6722 -0.0732188 -38.1928 6.95708 -28.6167 6.12158 14.5098 TIMING: 1591400 CPU: 4733.97, 0.00297924/step Wall: 4733.97, 0.00297924/step, 2.82084 hours remaining, 206.511719 MB of memory in use. ENERGY: 1591400 715.8200 2095.2219 1930.7217 105.9634 -205954.4493 17707.0879 0.0000 0.0000 34307.5026 -149092.1318 299.6160 -183399.6344 -148993.0907 299.1520 92.8848 124.6980 556513.9888 -15.2882 -15.5234 PRESSURE: 1591600 -222.215 -97.3253 169.856 -97.327 53.4149 -89.4519 169.857 -89.4531 164.918 GPRESSURE: 1591600 -168.33 -89.2266 223.765 -169.473 -4.24838 -56.9894 139.608 -68.2034 254.333 PRESSAVG: 1591600 11.5478 -29.575 -5.86053 -29.575 -1.12215 -32.0471 -5.86054 -32.0472 35.8344 GPRESSAVG: 1591600 10.6263 -32.3376 -6.33686 -25.68 -1.6919 -33.0104 -5.62149 -32.1401 37.0984 TIMING: 1591600 CPU: 4734.57, 0.00297951/step Wall: 4734.57, 0.00297951/step, 2.82093 hours remaining, 206.511719 MB of memory in use. ENERGY: 1591600 754.5868 2017.2282 1972.5154 101.3176 -206082.9439 17773.3082 0.0000 0.0000 34111.0619 -149352.9258 297.9004 -183463.9878 -149250.7595 298.7133 -1.2938 27.2518 557119.0869 15.4200 15.3443 PRESSURE: 1591800 -122.724 -157.945 243.388 -157.945 -166.337 -25.0973 243.389 -25.0967 190.953 GPRESSURE: 1591800 -29.4391 -99.8083 209.082 -246.441 -166.54 -97.2837 185.045 -48.8303 197.718 PRESSAVG: 1591800 -61.2104 -16.5203 29.7217 -16.5203 -24.2361 31.6121 29.7218 31.6119 95.6017 GPRESSAVG: 1591800 -62.1416 -15.1604 29.1799 -16.5718 -23.914 32.9745 28.3228 33.0232 96.2432 TIMING: 1591800 CPU: 4735.17, 0.00299264/step Wall: 4735.17, 0.00299264/step, 2.8332 hours remaining, 206.511719 MB of memory in use. ENERGY: 1591800 745.4013 2104.6800 1924.7218 113.6873 -206109.3136 17787.9083 0.0000 0.0000 33948.5930 -149484.3219 296.4815 -183432.9149 -149382.8861 298.9472 -32.7028 0.5797 556875.2923 3.3851 3.3959 PRESSURE: 1592000 -140.147 -173.637 218.057 -173.638 82.1359 -1.72479 218.058 -1.72767 -227.057 GPRESSURE: 1592000 -40.7507 -206.091 222.885 -77.6903 54.4325 -13.279 226.147 56.4286 -212.594 PRESSAVG: 1592000 -58.6009 -27.0342 56.0912 -27.0343 20.7923 18.5352 56.0912 18.5352 43.6629 GPRESSAVG: 1592000 -58.0339 -27.1942 55.2388 -27.9703 21.1512 18.1435 56.7083 16.5577 42.6165 TIMING: 1592000 CPU: 4735.76, 0.00297447/step Wall: 4735.76, 0.00297447/step, 2.81583 hours remaining, 206.511719 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: 1592000 780.9802 2038.8314 1920.5780 106.2999 -206270.6540 17751.9672 0.0000 0.0000 34038.3243 -149633.6730 297.2652 -183671.9973 -149540.4256 297.7828 -95.0226 -66.3040 556522.3301 1.9514 1.9113 PRESSURE: 1592200 -117.726 -12.0333 134.511 -12.0334 -183.458 -47.6452 134.511 -47.6442 -454.022 GPRESSURE: 1592200 -118.004 8.92649 151.222 -36.0286 -194.28 -84.263 126.89 -61.9833 -344.459 PRESSAVG: 1592200 -62.9346 -8.64536 21.3434 -8.64525 20.6495 -23.4981 21.3434 -23.4981 16.6512 GPRESSAVG: 1592200 -62.996 -8.01857 19.3163 -7.60777 19.7641 -23.0269 22.1819 -24.2321 17.0053 TIMING: 1592200 CPU: 4736.35, 0.00294508/step Wall: 4736.35, 0.00294508/step, 2.78785 hours remaining, 206.511719 MB of memory in use. ENERGY: 1592200 803.6119 2106.8571 1894.0257 111.7082 -206133.3084 17566.3486 0.0000 0.0000 34070.1604 -149580.5966 297.5432 -183650.7569 -149488.3791 297.8508 -251.7354 -218.9140 556762.7171 -8.5446 -8.7422 LDB: ============= START OF LOAD BALANCING ============== 4739.78 LDB: ============== END OF LOAD BALANCING =============== 4739.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4739.78 LDB: ============= START OF LOAD BALANCING ============== 4740.08 LDB: Largest compute 4821 load 0.024528 is 20.8% of average load 0.118107 LDB: Average compute 0.001705 is 1.4% of average load 0.118107 LDB: TIME 4740.08 LOAD: AVG 0.118107 MAX 0.20105 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 4740.08 LOAD: AVG 0.118107 MAX 0.20105 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.844 MB LDB: TIME 4740.08 LOAD: AVG 0.118107 MAX 0.20105 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4740.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4740.09 PRESSURE: 1592400 -12.2767 222.96 -12.4771 222.959 -89.1203 -56.9221 -12.4762 -56.9237 -158.879 GPRESSURE: 1592400 4.88452 163.724 35.3893 256.62 -39.4876 -2.3201 9.39283 -131.451 -130.081 PRESSAVG: 1592400 24.2506 24.1347 19.6878 24.1347 -2.07828 57.0553 19.6879 57.0553 -30.7966 GPRESSAVG: 1592400 24.1773 25.7697 21.0936 22.1007 -1.96874 56.6128 20.1069 57.4963 -30.6457 TIMING: 1592400 CPU: 4736.96, 0.00301252/step Wall: 4736.96, 0.00301252/step, 2.85152 hours remaining, 206.511719 MB of memory in use. ENERGY: 1592400 722.0993 2115.8280 1934.3216 102.1288 -206235.6209 17802.6710 0.0000 0.0000 34182.8009 -149375.7713 298.5269 -183558.5723 -149281.1815 298.0518 -86.7586 -54.8948 559262.3677 -2.8748 -2.8124 PRESSURE: 1592600 -132.754 -26.9986 -6.93919 -26.9995 41.9737 -9.16612 -6.93906 -9.1667 -89.1834 GPRESSURE: 1592600 -50.1654 -61.6763 -39.4753 -23.8261 -29.5867 13.2732 -57.1165 50.9116 -9.30624 PRESSAVG: 1592600 -26.1064 -1.99152 -46.8763 -1.9915 45.0962 12.0606 -46.8764 12.0607 -34.1652 GPRESSAVG: 1592600 -25.8832 -3.20309 -46.69 0.259139 45.5555 13.4593 -48.302 11.623 -34.6747 TIMING: 1592600 CPU: 4737.55, 0.00298382/step Wall: 4737.55, 0.00298382/step, 2.82418 hours remaining, 206.511719 MB of memory in use. ENERGY: 1592600 746.3106 2052.1564 1930.8017 114.3336 -206298.5841 17755.2693 0.0000 0.0000 34259.8001 -149439.9123 299.1994 -183699.7124 -149344.4527 298.1486 -59.9880 -29.6861 556318.2629 -5.0585 -5.0008 PRESSURE: 1592800 -226.965 12.4978 -159.436 12.4974 76.2587 38.5581 -159.435 38.5579 -146.897 GPRESSURE: 1592800 -224.15 -59.178 -134.8 88.5614 136.597 -0.197353 -94.7817 73.1409 -112.402 PRESSAVG: 1592800 -40.1672 26.5811 -26.0793 26.5811 41.1402 -26.8051 -26.0793 -26.805 -34.4905 GPRESSAVG: 1592800 -40.6598 25.3243 -25.8215 23.6029 42.0652 -27.5419 -27.0202 -27.4956 -34.912 TIMING: 1592800 CPU: 4738.15, 0.00297363/step Wall: 4738.15, 0.00297363/step, 2.81437 hours remaining, 206.511719 MB of memory in use. ENERGY: 1592800 755.2783 2066.0497 1946.4497 123.1913 -206173.9652 17732.3901 0.0000 0.0000 34256.3187 -149294.2875 299.1690 -183550.6061 -149198.1645 299.3235 -99.2013 -66.6517 556563.7330 -11.1725 -11.1689 PRESSURE: 1593000 -124.347 127.98 54.7751 127.979 -195.797 35.3773 54.7757 35.3784 130.872 GPRESSURE: 1593000 -126.191 78.7098 -16.2348 167.147 -122.491 56.3182 108.838 99.4366 153.372 PRESSAVG: 1593000 0.0191339 43.3242 46.6018 43.3242 -40.9174 39.0271 46.6019 39.0271 46.5516 GPRESSAVG: 1593000 -0.886283 43.1496 47.5816 44.4024 -40.9774 40.1916 47.8762 39.4922 47.2648 TIMING: 1593000 CPU: 4738.74, 0.00297306/step Wall: 4738.74, 0.00297306/step, 2.81367 hours remaining, 206.511719 MB of memory in use. ENERGY: 1593000 759.5095 2049.9071 1928.2924 109.3937 -206220.4995 17773.8504 0.0000 0.0000 34283.6477 -149315.8987 299.4076 -183599.5464 -149218.0814 298.8486 -63.0905 -31.7700 555553.7966 1.8844 1.8004 PRESSURE: 1593200 82.9542 193.489 160.515 193.49 -28.5185 -75.3191 160.514 -75.3188 -102.315 GPRESSURE: 1593200 161.298 267.646 100.62 187.142 -39.1892 -114.446 166.127 -27.2912 -77.3736 PRESSAVG: 1593200 11.8869 -3.85011 55.6251 -3.85017 -6.61597 31.6666 55.6251 31.6666 8.98288 GPRESSAVG: 1593200 12.4116 -0.758075 53.4132 -5.12275 -5.97304 29.3684 55.3363 32.4963 7.35678 TIMING: 1593200 CPU: 4739.34, 0.0029814/step Wall: 4739.34, 0.0029814/step, 2.8214 hours remaining, 206.511719 MB of memory in use. ENERGY: 1593200 726.6087 2101.5637 1920.5226 127.0072 -206108.5289 17888.7705 0.0000 0.0000 34108.0653 -149235.9908 297.8742 -183344.0562 -149145.2173 298.9163 -15.9598 14.9119 557835.3053 4.7513 4.5984 PRESSURE: 1593400 329.958 -74.6006 43.6545 -74.6003 226.535 -191.213 43.6542 -191.213 282.279 GPRESSURE: 1593400 401.296 -16.9581 30.694 -117.824 245.862 -178.042 91.0206 -157.141 302.89 PRESSAVG: 1593400 -59.4302 9.46387 4.35578 9.46392 -2.19447 36.4344 4.35578 36.4344 87.7097 GPRESSAVG: 1593400 -59.644 5.97374 5.01779 10.4355 -2.63613 38.2421 4.62354 36.6578 88.6262 TIMING: 1593400 CPU: 4739.93, 0.00297918/step Wall: 4739.93, 0.00297918/step, 2.81913 hours remaining, 206.511719 MB of memory in use. ENERGY: 1593400 708.6951 2103.4167 1942.3709 121.8587 -206723.2281 18205.8588 0.0000 0.0000 34400.5300 -149240.4979 300.4284 -183641.0279 -149148.7230 299.3998 279.5905 316.6826 556361.4732 8.6950 8.7820 PRESSURE: 1593600 -77.9809 -46.4376 -193.622 -46.4383 -416.494 194.191 -193.622 194.192 -93.4212 GPRESSURE: 1593600 -13.8113 10.594 -173.59 -86.1214 -398.552 207.617 -158.63 142.002 -70.9744 PRESSAVG: 1593600 48.5234 -41.3696 -4.43201 -41.3697 -7.32567 -13.5406 -4.43208 -13.5407 -15.4028 GPRESSAVG: 1593600 49.8129 -40.3302 -3.78093 -40.992 -8.12522 -15.3751 -3.27891 -16.2809 -16.2557 TIMING: 1593600 CPU: 4740.53, 0.00298682/step Wall: 4740.53, 0.00298682/step, 2.82619 hours remaining, 206.511719 MB of memory in use. ENERGY: 1593600 783.6592 2088.3419 1931.0861 122.3426 -206212.4011 17696.2486 0.0000 0.0000 34370.7431 -149219.9796 300.1682 -183590.7227 -149126.2977 299.0422 -195.9652 -161.1125 559687.0467 8.5983 8.4773 PRESSURE: 1593800 -55.5841 21.523 -36.5709 21.5222 66.4051 50.1633 -36.5723 50.1624 -72.0731 GPRESSURE: 1593800 -39.1552 76.1364 -16.0534 -114.944 57.9716 134.367 -20.1942 26.0598 7.54945 PRESSAVG: 1593800 47.7593 -15.5186 -26.3747 -15.5186 -45.6275 -12.1791 -26.3746 -12.1792 -49.1241 GPRESSAVG: 1593800 46.8817 -16.9304 -25.8312 -14.4603 -45.8315 -11.5289 -26.6969 -10.7774 -48.294 TIMING: 1593800 CPU: 4741.13, 0.00296936/step Wall: 4741.13, 0.00296936/step, 2.80951 hours remaining, 206.511719 MB of memory in use. ENERGY: 1593800 746.9256 2107.2678 1912.5607 108.1435 -206227.8227 17867.8669 0.0000 0.0000 34274.8726 -149210.1856 299.3310 -183485.0582 -149119.3045 299.9155 -20.4173 8.7886 558384.9968 -15.6641 -15.7479 PRESSURE: 1594000 -111.87 -213.63 -35.7263 -213.63 122.296 -65.2037 -35.726 -65.204 85.7149 GPRESSURE: 1594000 -85.4526 -91.7294 12.3156 -226.287 176.045 -140.411 -74.6501 -31.1612 92.4689 PRESSAVG: 1594000 -28.6659 47.3205 79.3469 47.3205 -8.56917 -50.2099 79.3469 -50.21 12.8201 GPRESSAVG: 1594000 -27.9128 50.0334 80.9743 45.921 -8.46667 -50.3137 77.5653 -51.7668 11.7448 TIMING: 1594000 CPU: 4741.72, 0.00296974/step Wall: 4741.72, 0.00296974/step, 2.80971 hours remaining, 206.511719 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: 1594000 729.2846 2095.8687 1921.7045 116.4340 -206464.9241 18050.3163 0.0000 0.0000 34200.9465 -149350.3695 298.6854 -183551.3160 -149259.7516 298.9564 32.0471 61.0204 558868.6671 -8.1383 -8.2115 PRESSURE: 1594200 -139.811 161.489 14.7325 161.491 132.269 123.665 14.7324 123.666 -196.872 GPRESSURE: 1594200 -140.387 97.1579 13.9931 200.928 174.972 116.177 -27.2588 140.552 -134.401 PRESSAVG: 1594200 -41.8124 -5.14624 53.3995 -5.14622 -16.8666 -3.07922 53.3996 -3.07912 68.9362 GPRESSAVG: 1594200 -43.2184 -6.67541 51.591 -4.89872 -15.1304 -4.49311 54.1041 -0.0466513 68.8417 TIMING: 1594200 CPU: 4742.31, 0.00295561/step Wall: 4742.31, 0.00295562/step, 2.79618 hours remaining, 206.511719 MB of memory in use. ENERGY: 1594200 734.4170 2058.1103 1932.3275 115.2835 -206076.1912 17728.2149 0.0000 0.0000 34078.4739 -149429.3640 297.6158 -183507.8379 -149325.4385 299.0946 -68.1381 -33.2721 557693.1688 3.4190 3.4976 PRESSURE: 1594400 265.999 81.1603 -24.0469 81.1609 80.5826 41.0398 -24.0458 41.0369 181.874 GPRESSURE: 1594400 269.217 19.3454 -1.82347 108.09 74.978 6.4214 -45.8072 48.353 280.853 PRESSAVG: 1594400 -59.7682 -43.3951 0.153964 -43.395 -12.2031 -10.4172 0.154067 -10.4172 74.0904 GPRESSAVG: 1594400 -60.3072 -43.1144 -0.396788 -44.4676 -12.981 -11.1427 -0.960263 -10.1435 75.619 TIMING: 1594400 CPU: 4742.9, 0.00294866/step Wall: 4742.9, 0.00294866/step, 2.78943 hours remaining, 206.511719 MB of memory in use. ENERGY: 1594400 732.8474 2130.1138 1922.9280 98.6021 -206660.7990 18109.4789 0.0000 0.0000 34323.8068 -149343.0221 299.7583 -183666.8289 -149242.8744 298.5697 176.1518 208.3494 556792.3177 0.7064 0.7769 PRESSURE: 1594600 -27.3803 176.256 -59.2233 176.255 -65.1538 -103.067 -59.2235 -103.067 6.54101 GPRESSURE: 1594600 27.0532 227.428 -11.788 193.704 -69.2749 -110.884 -177.374 -88.8495 49.9795 PRESSAVG: 1594600 30.538 -43.9609 4.9552 -43.9609 -30.1531 -6.27571 4.95533 -6.2757 53.1504 GPRESSAVG: 1594600 32.222 -41.8224 6.16335 -43.7283 -30.2282 -4.54306 7.17668 -8.41062 51.7488 TIMING: 1594600 CPU: 4743.5, 0.00297947/step Wall: 4743.5, 0.00297947/step, 2.81842 hours remaining, 206.511719 MB of memory in use. ENERGY: 1594600 764.6054 2134.9898 1943.1850 114.8953 -206468.9299 17877.4553 0.0000 0.0000 34327.4231 -149306.3758 299.7899 -183633.7990 -149215.8845 298.6091 -28.6643 2.5859 558330.7900 17.8451 17.9142 PRESSURE: 1594800 -1.7325 -92.8682 -43.9818 -92.8681 159.468 119.401 -43.9815 119.402 215.198 GPRESSURE: 1594800 -24.3243 -104.213 -38.8996 -97.9735 177.181 81.1796 -154.717 108.482 328.25 PRESSAVG: 1594800 -18.4651 3.71575 -4.2312 3.71584 0.682674 24.783 -4.23114 24.7829 70.7052 GPRESSAVG: 1594800 -19.5425 0.53454 -5.69159 5.04838 0.138731 21.8486 -5.56948 26.1682 71.4899 TIMING: 1594800 CPU: 4744.09, 0.00297951/step Wall: 4744.09, 0.00297951/step, 2.81828 hours remaining, 206.511719 MB of memory in use. ENERGY: 1594800 670.5333 2099.4802 1948.3806 137.9962 -206606.7491 18102.6671 0.0000 0.0000 34225.0341 -149422.6575 298.8957 -183647.6916 -149325.3737 299.1819 124.3112 160.3689 557395.9410 17.6409 17.3620 PRESSURE: 1595000 -405.102 -18.6674 -152.586 -18.6672 -109.587 161.884 -152.586 161.885 -18.2818 GPRESSURE: 1595000 -359.324 -64.0534 -228.801 -29.6323 -102.303 149.932 -141.598 94.3162 33.1321 PRESSAVG: 1595000 -30.9698 52.0898 -37.1426 52.0899 26.3191 -31.9821 -37.1425 -31.982 -4.53014 GPRESSAVG: 1595000 -30.2539 53.8088 -37.8683 50.4963 26.0533 -28.2921 -35.1012 -33.6917 -5.26486 TIMING: 1595000 CPU: 4744.69, 0.00300498/step Wall: 4744.69, 0.00300498/step, 2.84221 hours remaining, 206.511719 MB of memory in use. ENERGY: 1595000 776.0353 2102.4371 1906.9946 120.1024 -206075.4630 17755.8492 0.0000 0.0000 34011.2291 -149402.8152 297.0285 -183414.0443 -149299.6030 298.1733 -177.6568 -142.8315 559461.2135 -3.0603 -3.1552 PRESSURE: 1595200 167.193 -150.464 53.9055 -150.463 206.643 213.715 53.9069 213.716 112.502 GPRESSURE: 1595200 172.794 -244.866 72.7239 -62.3641 278.761 168.941 10.8689 125.993 136.075 PRESSAVG: 1595200 -6.18794 -44.8484 -42.9047 -44.8485 -18.2078 -41.5205 -42.9047 -41.5207 -28.5426 GPRESSAVG: 1595200 -6.0771 -48.3044 -41.1681 -40.6587 -19.0855 -42.4701 -44.2981 -41.3739 -28.0074 TIMING: 1595200 CPU: 4745.29, 0.00296436/step Wall: 4745.29, 0.00296436/step, 2.80362 hours remaining, 206.511719 MB of memory in use. ENERGY: 1595200 779.1112 2079.8388 1957.6184 121.6022 -206400.4243 18073.3429 0.0000 0.0000 34321.9942 -149066.9167 299.7425 -183388.9109 -148963.2772 298.5285 162.1128 195.8767 556887.5772 -17.6461 -17.7233 PRESSURE: 1595400 65.6982 36.7142 -12.0591 36.7142 171.995 38.4197 -12.0584 38.4191 -173.924 GPRESSURE: 1595400 144.248 -39.3669 -39.8382 87.7472 144.868 76.4055 -9.11908 63.2881 -119.762 PRESSAVG: 1595400 -2.20055 7.36133 -54.8218 7.36137 42.5494 29.9429 -54.8218 29.943 4.30902 GPRESSAVG: 1595400 -2.95032 7.22091 -55.2134 4.1499 43.5401 29.9831 -53.9984 28.8418 4.11595 TIMING: 1595400 CPU: 4745.88, 0.00295474/step Wall: 4745.88, 0.00295474/step, 2.79437 hours remaining, 206.511719 MB of memory in use. ENERGY: 1595400 758.4004 2114.0809 1923.5814 111.6957 -206422.7657 17992.3564 0.0000 0.0000 34155.1796 -149367.4712 298.2857 -183522.6508 -149277.3840 299.1483 21.2564 56.4513 558026.5227 14.8860 14.9019 PRESSURE: 1595600 -334.988 88.1032 58.7097 88.1037 -132.958 73.6315 58.7089 73.6315 -40.1648 GPRESSURE: 1595600 -302.705 96.2137 26.2969 31.6132 -146.266 77.5996 124.451 105.368 33.8199 PRESSAVG: 1595600 -22.5161 31.1785 3.53846 31.1784 13.2315 16.5769 3.53835 16.5768 -2.76034 GPRESSAVG: 1595600 -20.6252 33.1504 4.22026 31.1565 12.8646 17.1656 2.82885 18.3264 -4.52674 TIMING: 1595600 CPU: 4746.48, 0.00300304/step Wall: 4746.48, 0.00300304/step, 2.83987 hours remaining, 206.511719 MB of memory in use. ENERGY: 1595600 767.0521 2121.6762 1957.8617 122.8821 -206127.8986 17716.6001 0.0000 0.0000 34123.0967 -149318.7297 298.0055 -183441.8263 -149220.2829 298.5195 -169.3701 -138.3838 557704.5780 -4.0150 -4.0958 PRESSURE: 1595800 25.2345 -64.206 -85.0693 -64.2057 42.5939 83.7916 -85.0682 83.7935 101.792 GPRESSURE: 1595800 64.2565 -87.7071 -74.2459 -52.4453 51.1062 46.3053 -38.4028 21.9778 145.141 PRESSAVG: 1595800 1.25335 1.89251 -41.9689 1.89247 50.2646 3.88152 -41.969 3.88143 -18.6522 GPRESSAVG: 1595800 -0.594544 0.591163 -40.0816 1.12944 50.8342 2.98677 -42.7596 5.20529 -17.5547 TIMING: 1595800 CPU: 4747.07, 0.00296762/step Wall: 4747.07, 0.00296762/step, 2.80621 hours remaining, 206.511719 MB of memory in use. ENERGY: 1595800 774.1163 2086.1960 1955.8997 116.9712 -206443.0064 18005.8834 0.0000 0.0000 34246.5016 -149257.4382 299.0832 -183503.9398 -149160.9450 298.8878 56.5402 86.8347 557120.7335 10.9552 10.8950 PRESSURE: 1596000 -162.796 9.72874 100.682 9.72956 85.4997 18.1413 100.682 18.1411 -14.7644 GPRESSURE: 1596000 -110.836 -13.3439 -61.5536 -0.272382 187.657 -37.5888 188.447 80.2371 -80.6341 PRESSAVG: 1596000 -29.6289 18.5352 20.6836 18.5352 41.5857 44.9022 20.6836 44.9022 26.5352 GPRESSAVG: 1596000 -28.6668 20.3969 19.1179 18.2651 41.9831 46.0341 19.7392 42.0205 25.3055 TIMING: 1596000 CPU: 4747.67, 0.00297542/step Wall: 4747.67, 0.00297542/step, 2.81343 hours remaining, 206.511719 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: 1596000 740.9673 2117.8965 1948.7204 101.9685 -206259.2321 17651.0256 0.0000 0.0000 34449.2402 -149249.4136 300.8538 -183698.6538 -149161.9383 299.2171 -30.6868 -1.2709 556755.9254 12.8306 12.8739 PRESSURE: 1596200 -218.587 109.252 -112.099 109.253 -166.694 69.5599 -112.098 69.5588 -237.243 GPRESSURE: 1596200 -187.698 10.9453 -197.562 59.7815 -108.3 47.7335 -8.64693 49.503 -220.073 PRESSAVG: 1596200 -18.8766 4.29011 -23.1946 4.29011 63.3874 24.7564 -23.1947 24.7562 -56.2259 GPRESSAVG: 1596200 -19.02 3.08979 -25.3395 4.10707 63.5354 25.6997 -22.4429 25.9372 -55.8106 TIMING: 1596200 CPU: 4748.27, 0.00300162/step Wall: 4748.27, 0.00300162/step, 2.83803 hours remaining, 206.511719 MB of memory in use. ENERGY: 1596200 722.3878 2122.4294 1935.5550 115.9457 -205891.2217 17496.1874 0.0000 0.0000 34226.7145 -149272.0021 298.9104 -183498.7165 -149178.4278 298.5888 -207.5079 -172.0239 557437.0228 -3.9050 -3.7651 LDB: ============= START OF LOAD BALANCING ============== 4751.7 LDB: ============== END OF LOAD BALANCING =============== 4751.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4751.7 LDB: ============= START OF LOAD BALANCING ============== 4751.99 LDB: Largest compute 4821 load 0.024879 is 21.1% of average load 0.118058 LDB: Average compute 0.001713 is 1.5% of average load 0.118058 LDB: TIME 4752 LOAD: AVG 0.118058 MAX 0.201513 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 4752 LOAD: AVG 0.118058 MAX 0.201513 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.242 MB LDB: TIME 4752 LOAD: AVG 0.118058 MAX 0.201513 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.242 MB LDB: ============== END OF LOAD BALANCING =============== 4752 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4752 PRESSURE: 1596400 162.4 -24.6704 -26.4955 -24.6697 287.613 30.9788 -26.4944 30.9796 -281.078 GPRESSURE: 1596400 217.707 -10.5288 -9.19673 -34.4153 270.041 -49.1934 -11.8862 108.227 -222.768 PRESSAVG: 1596400 -3.75189 4.57895 -46.3657 4.57904 -31.6253 45.5531 -46.3657 45.553 -11.7576 GPRESSAVG: 1596400 -3.57933 2.56576 -44.569 4.70292 -31.4304 45.8887 -45.7811 45.028 -12.242 TIMING: 1596400 CPU: 4748.87, 0.00303545/step Wall: 4748.87, 0.00303545/step, 2.86985 hours remaining, 205.425781 MB of memory in use. ENERGY: 1596400 760.9684 2110.9840 1909.7207 121.2117 -206741.9737 18141.9304 0.0000 0.0000 34423.3172 -149273.8413 300.6274 -183697.1585 -149177.4577 298.6542 56.3119 88.3265 557749.7802 -15.7116 -15.7506 PRESSURE: 1596600 -22.3829 32.9231 -7.85832 32.9237 212.754 8.73214 -7.85771 8.73266 113.53 GPRESSURE: 1596600 18.1988 93.5962 0.663993 14.4883 271.864 53.3051 -70.1144 -10.0215 116.026 PRESSAVG: 1596600 -27.5659 -12.0878 -47.3048 -12.0878 49.937 40.1489 -47.3048 40.1489 -43.4888 GPRESSAVG: 1596600 -27.2857 -14.0308 -47.5963 -8.81622 48.7642 39.6805 -46.6783 39.5825 -42.8856 TIMING: 1596600 CPU: 4749.47, 0.00296977/step Wall: 4749.47, 0.00296977/step, 2.80758 hours remaining, 205.425781 MB of memory in use. ENERGY: 1596600 759.0004 2071.1230 1910.9075 106.8739 -206639.7731 18078.2916 0.0000 0.0000 34241.4975 -149472.0792 299.0395 -183713.5767 -149372.5067 299.0745 101.3006 135.3628 556463.1326 -7.0392 -7.1357 PRESSURE: 1596800 -253.571 -49.1702 -130.65 -49.1714 -50.61 0.491587 -130.649 0.49207 -59.5689 GPRESSURE: 1596800 -242.697 -67.6297 -153.955 -42.5909 7.42542 120.183 -114.174 -5.14076 -30.9005 PRESSAVG: 1596800 -18.0654 -37.4041 -19.335 -37.4043 -4.45498 -50.1453 -19.335 -50.1452 11.7188 GPRESSAVG: 1596800 -16.942 -33.9398 -19.0508 -40.2811 -5.68512 -50.095 -18.9082 -48.3907 11.5527 TIMING: 1596800 CPU: 4750.07, 0.00298911/step Wall: 4750.07, 0.00298911/step, 2.8257 hours remaining, 205.425781 MB of memory in use. ENERGY: 1596800 760.1655 2092.7671 1930.2276 105.8097 -206166.3351 17704.0770 0.0000 0.0000 34179.5398 -149393.7485 298.4984 -183573.2883 -149303.0906 298.9119 -121.2500 -88.7240 556681.7404 -3.6005 -3.6914 PRESSURE: 1597000 -95.514 -125.194 0.246683 -125.196 -137.199 -34.258 0.24738 -34.2572 -329.561 GPRESSURE: 1597000 -71.7645 -129.358 24.6683 -95.5668 -80.0614 -47.7627 48.8397 -45.6974 -306.378 PRESSAVG: 1597000 -21.7784 -70.9028 -21.1077 -70.9028 27.9471 -37.6007 -21.1077 -37.6008 -2.94524 GPRESSAVG: 1597000 -23.7129 -72.9007 -19.7411 -70.3173 31.2082 -37.4806 -23.5329 -40.5045 -4.20256 TIMING: 1597000 CPU: 4750.66, 0.00298015/step Wall: 4750.66, 0.00298015/step, 2.81707 hours remaining, 205.425781 MB of memory in use. ENERGY: 1597000 762.6130 2032.6063 1940.1418 120.1861 -205920.3384 17558.3666 0.0000 0.0000 34166.6739 -149339.7506 298.3861 -183506.4245 -149249.6720 298.8991 -187.4247 -152.7347 557865.9519 1.0745 1.0976 PRESSURE: 1597200 175.822 3.77637 -78.5578 3.77563 -214.165 -82.9802 -78.5575 -82.9783 21.7862 GPRESSURE: 1597200 217.5 18.5673 -14.1875 92.4113 -198.807 -41.1332 -61.6402 -165.167 57.281 PRESSAVG: 1597200 57.6785 16.8538 -1.61419 16.8537 9.0074 -38.0016 -1.61425 -38.0016 -44.4908 GPRESSAVG: 1597200 58.2525 18.893 -1.76907 18.3215 7.50754 -38.6105 -0.679121 -36.7714 -43.7323 TIMING: 1597200 CPU: 4751.26, 0.0029807/step Wall: 4751.26, 0.0029807/step, 2.81743 hours remaining, 205.425781 MB of memory in use. ENERGY: 1597200 704.8257 2033.7294 1936.7456 109.4388 -205917.8415 17830.5024 0.0000 0.0000 34162.0441 -149140.5555 298.3456 -183302.5996 -149051.0403 298.6218 -5.5189 25.3246 559075.1305 7.3984 7.3426 PRESSURE: 1597400 64.4128 -158.005 197.917 -158.006 101.512 -106.683 197.918 -106.683 -78.6401 GPRESSURE: 1597400 87.632 -203.891 232.002 -109.62 120.501 -150.142 204.341 -121.601 -17.9408 PRESSAVG: 1597400 -16.3034 40.1526 -18.5181 40.1525 21.2313 -31.8324 -18.5181 -31.8324 -47.1062 GPRESSAVG: 1597400 -15.7575 40.3376 -19.4463 39.6452 20.6884 -31.8018 -18.3216 -31.2405 -46.7697 TIMING: 1597400 CPU: 4751.85, 0.00297356/step Wall: 4751.85, 0.00297356/step, 2.81051 hours remaining, 205.425781 MB of memory in use. ENERGY: 1597400 708.0298 2128.5773 1925.5905 113.2385 -206465.3257 17832.7239 0.0000 0.0000 34527.2257 -149229.9399 301.5348 -183757.1657 -149132.4557 299.5288 29.0950 63.3973 557152.7335 -14.0594 -13.9463 PRESSURE: 1597600 156.884 -88.1818 11.8213 -88.1815 232.552 23.2835 11.8212 23.283 69.5752 GPRESSURE: 1597600 212.63 -13.2987 122.899 -136.848 274.703 150.982 -40.0594 76.8519 85.0609 PRESSAVG: 1597600 16.93 -5.11113 27.4768 -5.11106 34.2821 -37.6369 27.4767 -37.6369 -47.5918 GPRESSAVG: 1597600 15.8649 -3.99354 28.2466 -6.88911 35.5088 -37.0305 24.9069 -36.7683 -48.0718 TIMING: 1597600 CPU: 4752.45, 0.0029894/step Wall: 4752.45, 0.0029894/step, 2.82532 hours remaining, 205.425781 MB of memory in use. ENERGY: 1597600 709.2719 2078.8441 1938.2408 115.5697 -206864.9761 18289.3069 0.0000 0.0000 34506.8495 -149226.8931 301.3569 -183733.7426 -149128.6936 298.8935 153.0039 190.7978 557148.3310 1.2067 1.1007 PRESSURE: 1597800 -236.096 -34.811 -123.423 -34.8108 -166.26 -53.2237 -123.423 -53.2236 -61.3434 GPRESSURE: 1597800 -192.366 -93.071 -18.0623 -7.67522 -138.17 -23.3926 -176.187 -48.4642 -38.6645 PRESSAVG: 1597800 54.1457 -22.5644 -11.3124 -22.5644 -14.8584 -2.67745 -11.3123 -2.67751 -49.0487 GPRESSAVG: 1597800 54.2355 -24.844 -11.9297 -21.4314 -14.6906 -2.1102 -9.09348 -4.16299 -49.1685 TIMING: 1597800 CPU: 4753.05, 0.00300362/step Wall: 4753.05, 0.00300362/step, 2.83859 hours remaining, 205.425781 MB of memory in use. ENERGY: 1597800 754.9892 2098.5410 1959.4011 115.2274 -205797.1974 17575.4420 0.0000 0.0000 34164.6365 -149128.9602 298.3683 -183293.5967 -149028.5575 299.3023 -154.5666 -123.0667 557000.1486 -3.2538 -3.2079 PRESSURE: 1598000 -90.8928 15.6037 89.8768 15.6037 171.207 125.874 89.8777 125.875 10.3786 GPRESSURE: 1598000 -36.701 -0.548358 98.658 -37.2453 175.691 118.957 104.839 114.056 59.2994 PRESSAVG: 1598000 36.947 -29.028 -26.381 -29.0281 36.7539 40.2577 -26.381 40.2576 -49.6333 GPRESSAVG: 1598000 35.7754 -26.6749 -27.3638 -30.8493 36.7285 37.9557 -25.7686 41.8857 -47.7626 TIMING: 1598000 CPU: 4753.65, 0.00298196/step Wall: 4753.65, 0.00298196/step, 2.81796 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: 1598000 706.1303 2082.1325 1947.5694 129.3650 -206312.5357 17839.0576 0.0000 0.0000 34364.3926 -149243.8882 300.1128 -183608.2808 -149151.2983 299.1472 30.2308 66.0965 557383.7600 8.0225 8.2471 PRESSURE: 1598200 -162.118 96.0324 -86.0507 96.0334 -271.389 170.538 -86.0508 170.54 -268.732 GPRESSURE: 1598200 -153.855 102.764 -75.2928 85.2466 -191.125 196.421 -147.406 183.106 -261.066 PRESSAVG: 1598200 -43.261 4.9275 -68.5689 4.92752 41.3249 26.4138 -68.569 26.4137 -0.467984 GPRESSAVG: 1598200 -41.4005 3.07209 -65.8958 6.62948 39.5798 26.8586 -69.4507 25.4543 -1.28815 TIMING: 1598200 CPU: 4754.24, 0.00295858/step Wall: 4754.24, 0.00295858/step, 2.79569 hours remaining, 205.425781 MB of memory in use. ENERGY: 1598200 751.6368 2096.4948 1925.3087 111.5321 -206096.5883 17553.3213 0.0000 0.0000 34291.9252 -149366.3694 299.4799 -183658.2947 -149275.6012 299.9897 -234.0799 -202.0155 556941.0223 -0.8014 -1.0363 PRESSURE: 1598400 224.301 -53.4738 -72.6179 -53.4732 83.621 -201.859 -72.6167 -201.858 344.358 GPRESSURE: 1598400 266.329 -5.28082 -120.679 -32.3957 150.812 -229.7 -107.552 -212.801 344.138 PRESSAVG: 1598400 12.72 13.7473 -62.2282 13.7473 -18.7084 -7.33528 -62.2283 -7.33526 4.98613 GPRESSAVG: 1598400 10.9082 15.4094 -62.7795 12.2686 -17.1055 -6.4982 -62.1721 -6.85894 4.59047 TIMING: 1598400 CPU: 4754.83, 0.00295362/step Wall: 4754.83, 0.00295362/step, 2.79085 hours remaining, 205.425781 MB of memory in use. ENERGY: 1598400 755.9473 2062.6610 1937.1095 122.6220 -206738.4934 18150.5862 0.0000 0.0000 34302.7231 -149406.8443 299.5742 -183709.5674 -149320.2481 299.0057 217.4267 253.7598 553908.1057 -0.3341 -0.5356 PRESSURE: 1598600 -165.017 -71.1491 66.6077 -71.1496 -210.32 -110.4 66.6079 -110.399 46.6503 GPRESSURE: 1598600 -175.797 -84.5748 57.5283 -51.5562 -151.682 -169.2 43.7804 -97.8285 97.1956 PRESSAVG: 1598600 36.0925 30.5886 -35.3042 30.5886 -13.7781 7.09959 -35.3042 7.09958 6.31772 GPRESSAVG: 1598600 36.9977 29.1236 -37.418 32.1241 -14.0556 6.1673 -34.539 5.34805 5.592 TIMING: 1598600 CPU: 4755.43, 0.0029856/step Wall: 4755.43, 0.0029856/step, 2.82089 hours remaining, 205.425781 MB of memory in use. ENERGY: 1598600 757.0343 2035.5639 1960.0319 121.3143 -206539.3785 17738.0215 0.0000 0.0000 34367.4852 -149559.9273 300.1398 -183927.4124 -149458.9501 298.4113 -109.5622 -76.7612 555323.7736 9.5440 9.5114 PRESSURE: 1598800 -391.676 -190.792 -30.5781 -190.792 -27.5206 -28.4151 -30.5774 -28.4162 -128.529 GPRESSURE: 1598800 -404.14 -86.8755 -23.7782 -263.05 54.903 -47.992 -88.574 93.5245 -104.547 PRESSAVG: 1598800 -16.0211 -28.5962 -10.0896 -28.5963 35.2225 -3.18959 -10.0896 -3.18949 9.74141 GPRESSAVG: 1598800 -16.8843 -26.8738 -7.76685 -29.6492 34.3956 -2.89382 -11.6244 -1.92355 10.9146 TIMING: 1598800 CPU: 4756.03, 0.00299435/step Wall: 4756.03, 0.00299435/step, 2.829 hours remaining, 205.425781 MB of memory in use. ENERGY: 1598800 783.8128 2100.7652 1913.6143 113.1123 -206331.7060 17676.3326 0.0000 0.0000 34045.7178 -149698.3509 297.3297 -183744.0687 -149597.7654 298.5809 -182.5751 -151.2612 556266.2124 9.6476 9.4753 PRESSURE: 1599000 222.23 14.2565 -117.816 14.2555 -1.26928 -94.138 -117.817 -94.1387 183.933 GPRESSURE: 1599000 204.762 13.9751 -121.764 -9.12696 11.5484 -123.339 -135.384 -54.3169 291.682 PRESSAVG: 1599000 -28.9126 -42.1604 -92.7454 -42.1605 -1.18345 -32.3503 -92.7453 -32.3503 28.2333 GPRESSAVG: 1599000 -29.034 -43.1867 -90.4635 -41.9995 -0.234024 -29.5795 -93.4364 -34.6172 27.4395 TIMING: 1599000 CPU: 4756.62, 0.00298359/step Wall: 4756.62, 0.00298359/step, 2.81866 hours remaining, 205.425781 MB of memory in use. ENERGY: 1599000 735.5623 2112.2939 1923.5342 107.1397 -206807.2245 18075.5875 0.0000 0.0000 34117.9456 -149735.1613 297.9605 -183853.1070 -149646.7415 298.1047 134.9645 169.3308 554627.7870 -0.6209 -0.6095 PRESSURE: 1599200 -160.648 -11.7188 -156.722 -11.7171 4.53667 22.5636 -156.722 22.5637 -175.452 GPRESSURE: 1599200 -110.351 -32.6815 -211.123 104.076 46.7515 -60.6306 -93.0681 79.5063 -180.866 PRESSAVG: 1599200 -5.57245 -9.44716 -19.4912 -9.44714 -14.2099 34.5695 -19.4911 34.5696 -13.8609 GPRESSAVG: 1599200 -4.25639 -9.31151 -21.0655 -7.95371 -15.4782 33.4459 -18.8674 36.0075 -13.5223 TIMING: 1599200 CPU: 4757.22, 0.0029909/step Wall: 4757.22, 0.0029909/step, 2.8254 hours remaining, 205.425781 MB of memory in use. ENERGY: 1599200 731.2349 2106.6631 1945.5961 116.1588 -206321.9074 17612.0113 0.0000 0.0000 34353.6548 -149456.5883 300.0190 -183810.2431 -149366.4611 298.0637 -110.5210 -81.4884 556908.6514 -11.2144 -11.0856 PRESSURE: 1599400 -35.5252 82.0745 10.8539 82.0754 27.7576 -69.8293 10.8535 -69.8289 -192.736 GPRESSURE: 1599400 28.0903 143.895 -49.7427 -34.9575 29.9569 -60.1675 33.4985 -30.5367 -159.466 PRESSAVG: 1599400 52.0716 -2.92467 -26.8619 -2.92463 12.6601 18.0538 -26.8618 18.0538 -48.1137 GPRESSAVG: 1599400 51.0217 -3.55829 -27.5134 -3.14812 13.5594 19.2487 -26.5513 15.3049 -47.732 TIMING: 1599400 CPU: 4757.82, 0.00298623/step Wall: 4757.82, 0.00298623/step, 2.82082 hours remaining, 205.425781 MB of memory in use. ENERGY: 1599400 726.4901 2152.1707 1937.6377 126.5310 -206192.1348 17548.6399 0.0000 0.0000 34295.1999 -149405.4653 299.5085 -183700.6652 -149310.9669 299.3391 -66.8346 -33.8064 555564.4875 5.5393 5.6164 PRESSURE: 1599600 -154.346 77.9379 44.2345 77.9372 -167.613 15.3914 44.2354 15.3931 -139.286 GPRESSURE: 1599600 -149.197 47.8945 45.3095 120.658 -96.2371 28.8915 90.1967 79.6286 -122.516 PRESSAVG: 1599600 -59.5428 -39.7049 10.4905 -39.7049 13.6643 -47.0392 10.4905 -47.0392 10.3648 GPRESSAVG: 1599600 -59.6176 -40.4692 9.85314 -42.3635 14.0859 -49.39 12.0823 -44.0405 9.82201 TIMING: 1599600 CPU: 4758.41, 0.00297671/step Wall: 4758.41, 0.00297671/step, 2.81167 hours remaining, 205.425781 MB of memory in use. ENERGY: 1599600 792.7291 2144.7071 1946.9436 128.5127 -206153.4295 17595.8823 0.0000 0.0000 34117.1741 -149427.4805 297.9538 -183544.6546 -149327.0683 299.5071 -153.7484 -122.6501 555775.0192 -11.8379 -11.9032 PRESSURE: 1599800 -98.7652 -51.8532 87.2614 -51.8518 -493.691 7.40253 87.2621 7.40339 -106.458 GPRESSURE: 1599800 -73.1841 -12.7753 -2.07471 3.49909 -464.998 -14.3115 191.955 -46.6469 -47.3894 PRESSAVG: 1599800 -35.5935 -25.5598 35.9978 -25.5598 -27.0349 7.53119 35.9978 7.53119 51.1087 GPRESSAVG: 1599800 -33.753 -23.989 35.5059 -23.1513 -27.2219 7.01817 34.2938 9.44466 50.1106 TIMING: 1599800 CPU: 4759.01, 0.00297015/step Wall: 4759.01, 0.00297015/step, 2.80531 hours remaining, 205.425781 MB of memory in use. ENERGY: 1599800 781.8629 2164.0353 1926.3317 106.2190 -206082.3657 17420.6182 0.0000 0.0000 34137.7839 -149545.5146 298.1338 -183683.2985 -149449.0738 298.6076 -232.9715 -195.1904 556207.1835 -3.8399 -3.6214 PRESSURE: 1600000 65.9544 -14.0953 84.285 -14.0962 -267.45 -133.978 84.2854 -133.977 -47.8513 GPRESSURE: 1600000 32.5872 -35.7946 163.294 45.9687 -218.761 -124.897 -5.6404 -165.28 36.0763 PRESSAVG: 1600000 -38.0985 25.0866 -22.8832 25.0865 -9.90016 -28.7372 -22.8832 -28.7373 37.3262 GPRESSAVG: 1600000 -39.5285 26.2369 -23.6848 24.9191 -9.45855 -28.2564 -22.0999 -31.6578 38.2426 TIMING: 1600000 CPU: 4759.6, 0.00296961/step Wall: 4759.6, 0.00296961/step, 2.80463 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: 1600000 759.7352 2115.2205 1933.0598 91.1918 -206260.0584 17726.3698 0.0000 0.0000 34276.8680 -149357.6133 299.3484 -183634.4813 -149256.4627 298.8225 -83.1156 -50.0323 557586.5961 -3.5575 -3.5815 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1600000 WRITING COORDINATES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1600200 -7.22758 101.733 32.8542 101.732 -120.595 126.157 32.855 126.159 -57.9359 GPRESSURE: 1600200 79.8534 61.279 2.59943 58.323 -125.115 44.1082 83.7481 172.665 -40.8463 PRESSAVG: 1600200 14.7808 50.8811 59.4268 50.8811 4.93272 -15.0507 59.4267 -15.0508 -45.2181 GPRESSAVG: 1600200 15.1824 49.9126 59.6669 51.79 5.06959 -14.58 59.5546 -13.8361 -45.9336 TIMING: 1600200 CPU: 4760.21, 0.00305442/step Wall: 4760.21, 0.00305442/step, 2.88456 hours remaining, 205.425781 MB of memory in use. ENERGY: 1600200 764.0657 2096.8892 1964.6626 94.0345 -206555.5481 17833.4540 0.0000 0.0000 34353.9497 -149448.4925 300.0216 -183802.4422 -149351.1570 297.9855 -61.9194 -28.7026 556388.3492 -8.5015 -8.5605 LDB: ============= START OF LOAD BALANCING ============== 4763.64 LDB: ============== END OF LOAD BALANCING =============== 4763.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4763.64 LDB: ============= START OF LOAD BALANCING ============== 4763.94 LDB: Largest compute 4821 load 0.025834 is 21.9% of average load 0.118025 LDB: Average compute 0.001706 is 1.4% of average load 0.118025 LDB: TIME 4763.94 LOAD: AVG 0.118025 MAX 0.19981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.195 MB LDB: TIME 4763.94 LOAD: AVG 0.118025 MAX 0.19981 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: TIME 4763.94 LOAD: AVG 0.118025 MAX 0.19981 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 4763.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4763.95 PRESSURE: 1600400 -31.5216 13.809 -96.7858 13.8094 58.7369 -44.5614 -96.7863 -44.5619 26.2882 GPRESSURE: 1600400 6.39178 0.619314 -58.9802 0.255076 93.4001 -102.422 -118.271 2.90366 46.5846 PRESSAVG: 1600400 -24.3625 12.0603 -42.0059 12.0603 -21.315 8.74144 -42.0058 8.74142 25.5519 GPRESSAVG: 1600400 -23.3339 12.1158 -41.6238 13.5034 -22.9406 9.15916 -41.5195 6.0787 26.4876 TIMING: 1600400 CPU: 4760.82, 0.00303175/step Wall: 4760.82, 0.00303175/step, 2.86298 hours remaining, 206.964844 MB of memory in use. ENERGY: 1600400 753.3988 2038.7286 1940.9948 106.8081 -206200.3562 17739.3098 0.0000 0.0000 34275.9592 -149345.1569 299.3405 -183621.1161 -149243.9484 298.9626 17.8345 48.7922 556249.1555 -6.7086 -6.5956 PRESSURE: 1600600 -313.326 -30.2532 -88.6374 -30.2533 53.4645 135.851 -88.6376 135.851 8.20779 GPRESSURE: 1600600 -299.486 39.7356 -127.814 -55.7445 92.161 52.7285 -82.96 174.489 59.5127 PRESSAVG: 1600600 24.2139 1.59801 -18.082 1.598 -6.42251 -11.2194 -18.082 -11.2193 -39.0173 GPRESSAVG: 1600600 22.3155 0.744437 -16.2315 -1.69472 -5.15937 -10.9419 -19.4921 -10.5575 -38.1282 TIMING: 1600600 CPU: 4761.41, 0.00295682/step Wall: 4761.41, 0.00295682/step, 2.79206 hours remaining, 207.035156 MB of memory in use. ENERGY: 1600600 703.4630 2102.1028 1954.7944 117.8218 -206048.4392 17781.7742 0.0000 0.0000 34149.5029 -149238.9801 298.2361 -183388.4830 -149146.0678 299.1684 -83.8845 -49.2707 557100.0027 -7.0753 -6.9907 PRESSURE: 1600800 37.1457 3.5335 42.2883 3.5335 -43.7762 194.075 42.2884 194.075 84.3605 GPRESSURE: 1600800 23.3079 21.2044 -33.8688 -73.4895 -26.711 166.273 35.4799 216.893 172.211 PRESSAVG: 1600800 -41.1223 25.6239 3.36871 25.6237 20.4307 -34.9094 3.36874 -34.9094 63.2506 GPRESSAVG: 1600800 -40.1105 27.288 3.45741 25.2603 20.462 -36.9966 2.47299 -31.8075 62.4034 TIMING: 1600800 CPU: 4762, 0.00296062/step Wall: 4762, 0.00296062/step, 2.79548 hours remaining, 207.035156 MB of memory in use. ENERGY: 1600800 747.4147 2083.8904 1941.3721 103.1750 -206224.3754 17889.6576 0.0000 0.0000 34126.3246 -149332.5410 298.0337 -183458.8655 -149241.2298 298.5201 25.9100 56.2692 557300.0089 14.1863 14.2516 PRESSURE: 1601000 -73.6942 -14.7108 36.9362 -14.7104 27.4273 -15.241 36.9364 -15.2425 -139.595 GPRESSURE: 1601000 -0.511767 -43.565 -50.0713 -24.9713 34.8395 -39.8116 104.129 32.2527 -119.147 PRESSAVG: 1601000 54.3076 -15.5389 -24.8339 -15.5389 -0.727471 15.1964 -24.8339 15.1964 -40.4203 GPRESSAVG: 1601000 53.6899 -17.71 -25.567 -12.5152 -0.70735 16.1616 -22.6348 11.5733 -39.3277 TIMING: 1601000 CPU: 4762.6, 0.00296845/step Wall: 4762.6, 0.00296846/step, 2.80272 hours remaining, 207.035156 MB of memory in use. ENERGY: 1601000 761.3162 2058.5783 1945.7256 114.4181 -206479.7315 17954.5019 0.0000 0.0000 34174.8688 -149470.3225 298.4576 -183645.1913 -149374.9509 298.4998 -61.9539 -28.2731 556799.4649 4.3866 4.5516 PRESSURE: 1601200 215.743 201.521 60.8015 201.522 -50.7604 -49.6135 60.7994 -49.6146 84.7678 GPRESSURE: 1601200 283.361 127.706 29.9961 149.695 -28.3921 -64.0399 100.238 50.2377 96.7795 PRESSAVG: 1601200 62.6459 -2.03803 -44.9667 -2.03785 22.3329 70.8421 -44.9667 70.842 -30.615 GPRESSAVG: 1601200 63.7438 -1.95709 -45.6953 -3.93347 21.6622 70.2471 -44.6637 71.3672 -31.2819 TIMING: 1601200 CPU: 4763.19, 0.00296935/step Wall: 4763.19, 0.00296935/step, 2.8034 hours remaining, 207.035156 MB of memory in use. ENERGY: 1601200 745.1260 1999.5831 1938.2849 111.7242 -206599.0492 17953.0940 0.0000 0.0000 34247.9416 -149603.2953 299.0958 -183851.2369 -149510.4932 298.7733 83.2502 117.2495 554618.3105 18.1213 18.0414 PRESSURE: 1601400 63.8715 -20.4168 97.2821 -20.4168 -8.15563 -17.0143 97.2825 -17.0133 -322.383 GPRESSURE: 1601400 120.129 11.4513 76.6681 -17.7643 -45.0394 -20.8877 102.638 -28.8183 -245.582 PRESSAVG: 1601400 12.9481 11.632 17.1807 11.632 16.3283 -44.5364 17.1807 -44.5364 -41.8993 GPRESSAVG: 1601400 12.2434 12.3941 18.179 11.2692 17.1976 -44.1574 17.1289 -43.7231 -41.7954 TIMING: 1601400 CPU: 4763.78, 0.00297871/step Wall: 4763.78, 0.00297871/step, 2.81206 hours remaining, 207.035156 MB of memory in use. ENERGY: 1601400 739.4138 2050.8037 1921.9682 114.7160 -205986.8909 17374.2503 0.0000 0.0000 34126.6655 -149659.0732 298.0367 -183785.7388 -149562.4716 298.0512 -88.8890 -56.8306 555266.1509 -4.2077 -4.1181 PRESSURE: 1601600 -112.002 12.7576 146.926 12.7581 44.1404 68.5853 146.926 68.5843 -108.345 GPRESSURE: 1601600 -117.664 -44.0446 113.454 -35.9189 106.665 53.8344 233.879 3.67229 -76.0696 PRESSAVG: 1601600 17.3586 -32.9484 -16.4544 -32.9484 59.3323 -34.4739 -16.4544 -34.4739 -94.9036 GPRESSAVG: 1601600 17.2758 -34.2361 -15.4607 -31.761 58.866 -33.4761 -18.321 -36.2088 -94.1959 TIMING: 1601600 CPU: 4764.38, 0.00297879/step Wall: 4764.38, 0.00297879/step, 2.81197 hours remaining, 207.035156 MB of memory in use. ENERGY: 1601600 764.8900 2117.6130 1943.9766 104.7861 -206583.9416 17889.4805 0.0000 0.0000 34030.6789 -149732.5165 297.1984 -183763.1954 -149633.1431 297.0954 -58.7356 -29.0227 556397.2634 -6.0709 -6.0181 PRESSURE: 1601800 -3.23722 -112.343 -163.587 -112.344 130.074 59.4785 -163.586 59.4792 64.0633 GPRESSURE: 1601800 3.7097 -87.1169 -135.036 -134.602 158.938 2.85214 -79.4349 92.0956 133.815 PRESSAVG: 1601800 -9.8334 -19.8461 -52.3518 -19.8462 -4.45968 36.7735 -52.3518 36.7734 12.1775 GPRESSAVG: 1601800 -9.00511 -19.0725 -55.0923 -18.6627 -4.62623 36.8046 -50.1134 37.8778 10.8897 TIMING: 1601800 CPU: 4764.98, 0.00299929/step Wall: 4764.98, 0.00299929/step, 2.83116 hours remaining, 207.035156 MB of memory in use. ENERGY: 1601800 756.4688 2072.0878 1951.2908 117.6599 -206389.3653 17867.8029 0.0000 0.0000 33841.0241 -149783.0309 295.5421 -183624.0550 -149687.4636 297.3670 63.6332 98.8211 556905.2536 -0.7052 -0.9139 PRESSURE: 1602000 -13.2377 52.4927 21.4311 52.4915 128.058 49.9904 21.4328 49.9894 123.135 GPRESSURE: 1602000 8.57107 71.8561 0.798329 36.3508 194.132 7.86649 43.3408 15.3311 130.401 PRESSAVG: 1602000 -23.8855 2.94367 15.5029 2.94357 46.4108 35.6449 15.5029 35.645 -10.2577 GPRESSAVG: 1602000 -23.2901 3.75654 16.0827 1.33993 45.9433 34.2634 14.3043 36.1883 -10.013 TIMING: 1602000 CPU: 4765.58, 0.00299734/step Wall: 4765.58, 0.00299734/step, 2.82916 hours remaining, 207.035156 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: 1602000 786.5667 2095.2843 1953.9576 108.9951 -206813.7313 18079.5049 0.0000 0.0000 34156.3780 -149633.0449 298.2961 -183789.4229 -149544.1020 297.4135 79.3184 111.0347 556311.6429 4.0892 4.2134 PRESSURE: 1602200 141.155 -42.805 -8.28469 -42.8063 -30.6105 15.7469 -8.28408 15.7467 -66.9323 GPRESSURE: 1602200 209.601 -50.2466 -27.3947 -26.3575 45.3269 -90.4168 -66.0444 2.29906 -113.189 PRESSAVG: 1602200 45.7769 8.96343 -13.4495 8.96346 8.83396 10.5439 -13.4493 10.544 -58.9132 GPRESSAVG: 1602200 46.238 8.14997 -12.1607 11.211 9.19052 11.0783 -13.923 8.72295 -59.5668 TIMING: 1602200 CPU: 4766.18, 0.00299091/step Wall: 4766.18, 0.00299091/step, 2.82292 hours remaining, 207.035156 MB of memory in use. ENERGY: 1602200 711.5243 2089.8692 1961.9135 118.9171 -206572.0326 17911.9562 0.0000 0.0000 34208.8574 -149568.9949 298.7545 -183777.8522 -149469.7943 298.8358 14.5373 47.2464 557267.7037 -1.4341 -1.3794 PRESSURE: 1602400 -17.4138 3.60841 -19.7174 3.60835 269.152 -53.1858 -19.7177 -53.1857 -95.9644 GPRESSURE: 1602400 49.2637 72.9145 24.7529 10.8188 268.98 -60.7923 8.64171 -13.2528 -49.0558 PRESSAVG: 1602400 49.4935 8.45096 7.71446 8.45093 64.4139 -46.2712 7.71448 -46.2712 -48.5798 GPRESSAVG: 1602400 49.1593 9.63419 7.54827 5.33577 64.0835 -46.2166 7.32949 -43.854 -48.2079 TIMING: 1602400 CPU: 4766.78, 0.0030004/step Wall: 4766.78, 0.0030004/step, 2.83171 hours remaining, 207.035156 MB of memory in use. ENERGY: 1602400 747.5092 2047.9799 1965.8438 123.1367 -206811.4546 18074.4851 0.0000 0.0000 34203.2570 -149649.2429 298.7056 -183852.4999 -149554.3332 298.1973 51.9245 89.7294 555952.6647 21.7759 21.6783 PRESSURE: 1602600 -2.96706 90.3081 -50.4543 90.3083 64.788 -26.8289 -50.4552 -26.8294 -13.177 GPRESSURE: 1602600 34.8471 212.572 -93.0724 73.295 44.873 42.5997 -82.5978 -83.9176 60.9539 PRESSAVG: 1602600 -22.2962 0.187972 -29.2199 0.187996 -2.06407 10.174 -29.2198 10.1739 13.7911 GPRESSAVG: 1602600 -23.377 -0.815129 -28.9215 1.96221 -0.458389 9.64376 -28.0727 7.98987 13.1538 TIMING: 1602600 CPU: 4767.37, 0.00298262/step Wall: 4767.37, 0.00298262/step, 2.81476 hours remaining, 207.035156 MB of memory in use. ENERGY: 1602600 728.7067 2090.8125 1950.4037 108.6596 -206288.1313 17788.6638 0.0000 0.0000 34160.8330 -149460.0520 298.3351 -183620.8850 -149369.2978 298.4712 16.2146 46.8913 557138.9482 -3.5230 -3.5605 PRESSURE: 1602800 224.416 -59.7068 -64.2871 -59.7062 -90.9061 -48.3575 -64.2863 -48.3575 -83.3048 GPRESSURE: 1602800 225.461 24.7622 -27.5748 -122.194 -32.857 -38.4968 8.99663 -19.8504 -41.886 PRESSAVG: 1602800 39.082 100.135 13.8238 100.135 -29.7222 -20.7079 13.8239 -20.7079 -13.6828 GPRESSAVG: 1602800 39.0348 101.041 13.1971 100.711 -29.0128 -21.829 14.2734 -18.7359 -13.9079 TIMING: 1602800 CPU: 4767.98, 0.00300182/step Wall: 4767.98, 0.00300182/step, 2.83272 hours remaining, 207.035156 MB of memory in use. ENERGY: 1602800 778.9777 2116.0947 1924.0680 104.3365 -206634.9153 18040.4305 0.0000 0.0000 34414.9179 -149256.0900 300.5540 -183671.0079 -149161.0974 298.3752 16.7349 50.2393 556247.0149 -1.4410 -1.2953 PRESSURE: 1603000 -46.3346 186.12 24.913 186.119 63.8955 44.6526 24.913 44.6529 7.31618 GPRESSURE: 1603000 -3.93717 127.87 4.7715 200.688 91.4139 -11.4162 17.6371 47.1602 31.6505 PRESSAVG: 1603000 -4.73994 65.9602 18.5351 65.9602 63.4634 -48.3306 18.5353 -48.3307 -48.7094 GPRESSAVG: 1603000 -4.20724 63.6412 20.7552 66.0957 63.1433 -46.7315 15.6773 -49.2897 -47.8518 TIMING: 1603000 CPU: 4768.57, 0.00299653/step Wall: 4768.57, 0.00299653/step, 2.82756 hours remaining, 207.035156 MB of memory in use. ENERGY: 1603000 723.5516 2068.4268 1941.7960 119.2796 -206415.8022 17923.3610 0.0000 0.0000 34370.9908 -149268.3964 300.1704 -183639.3872 -149162.2824 299.8497 8.2924 39.7091 556602.7714 3.3380 3.6947 PRESSURE: 1603200 25.4865 -12.771 -175.121 -12.77 -83.4317 74.3771 -175.121 74.3768 -196.157 GPRESSURE: 1603200 37.7343 -14.6527 -223.862 55.0739 -24.5844 43.9813 -147.14 144.763 -168.469 PRESSAVG: 1603200 13.7256 36.0002 -48.8381 36.0004 -17.0016 3.28756 -48.838 3.28766 17.5211 GPRESSAVG: 1603200 13.6722 35.6999 -51.3428 34.299 -17.3451 2.97736 -46.463 2.57585 17.6603 TIMING: 1603200 CPU: 4769.17, 0.00299665/step Wall: 4769.17, 0.00299665/step, 2.82751 hours remaining, 207.035156 MB of memory in use. ENERGY: 1603200 787.7155 2074.3047 1928.9747 111.9107 -206814.4582 18049.2211 0.0000 0.0000 34415.4741 -149446.8575 300.5589 -183862.3315 -149348.0159 298.9290 -84.7006 -51.7730 556656.4918 4.7484 4.6625 PRESSURE: 1603400 -195.679 -130.669 36.2505 -130.669 -252.436 -55.0499 36.2512 -55.0508 -108.873 GPRESSURE: 1603400 -174.695 -156.223 84.7647 -139.774 -180.104 -3.63788 41.5933 -58.8763 -86.9767 PRESSAVG: 1603400 12.3232 -13.3521 -6.04473 -13.3521 15.3078 26.8982 -6.04476 26.8982 -1.56609 GPRESSAVG: 1603400 12.6226 -11.9462 -6.21182 -13.4569 15.334 27.1836 -5.07259 28.9235 -1.63799 TIMING: 1603400 CPU: 4769.77, 0.00299502/step Wall: 4769.77, 0.00299502/step, 2.8258 hours remaining, 207.035156 MB of memory in use. ENERGY: 1603400 776.2061 2096.7285 1942.9078 116.3864 -206096.5457 17710.3469 0.0000 0.0000 34135.1829 -149318.7871 298.1110 -183453.9701 -149223.7035 299.0771 -185.6627 -147.2589 557942.3725 8.6883 8.7729 PRESSURE: 1603600 3.66981 -2.50306 -78.3881 -2.50246 13.5462 95.9561 -78.3882 95.9578 281.837 GPRESSURE: 1603600 61.8358 -99.4798 -28.5791 50.8046 88.7131 79.8319 -98.5259 157.481 229.064 PRESSAVG: 1603600 11.3995 12.4534 -47.6643 12.4534 10.5997 16.7029 -47.6644 16.7028 2.20565 GPRESSAVG: 1603600 12.4218 10.1583 -47.5629 14.1254 9.19077 14.2886 -48.4954 15.9035 2.45777 TIMING: 1603600 CPU: 4770.37, 0.00296611/step Wall: 4770.37, 0.00296611/step, 2.79836 hours remaining, 207.035156 MB of memory in use. ENERGY: 1603600 764.7685 2072.8645 1945.6767 117.0894 -206189.3503 17847.5332 0.0000 0.0000 34191.4678 -149249.9501 298.6026 -183441.4179 -149154.3595 299.6613 99.6843 126.5376 554921.8106 8.0683 8.0234 PRESSURE: 1603800 45.3048 -34.7322 -36.984 -34.7316 62.642 83.8329 -36.9844 83.8318 46.4095 GPRESSURE: 1603800 59.5525 31.1496 -56.7927 -119.413 117.011 107.223 -2.07841 85.4479 81.4069 PRESSAVG: 1603800 46.144 21.6796 -34.6492 21.6796 -43.7579 75.3151 -34.6492 75.3152 9.03516 GPRESSAVG: 1603800 46.236 21.462 -34.9187 21.5327 -42.5417 76.3046 -34.2887 74.3884 8.43824 TIMING: 1603800 CPU: 4770.96, 0.002995/step Wall: 4770.96, 0.002995/step, 2.82545 hours remaining, 207.035156 MB of memory in use. ENERGY: 1603800 731.8731 2077.4404 1934.7704 116.9965 -206192.5418 17826.2816 0.0000 0.0000 34085.4358 -149419.7440 297.6766 -183505.1798 -149319.1746 298.5488 51.4521 85.9902 557041.0451 3.8071 4.0442 PRESSURE: 1604000 -217.855 -46.8098 13.3612 -46.8091 -108.049 147.461 13.3619 147.461 -176.589 GPRESSURE: 1604000 -177.369 -39.9775 153.101 -77.5104 -100.938 56.2825 -68.9518 263.233 -117.566 PRESSAVG: 1604000 -50.0406 19.7205 41.719 19.7206 75.0795 60.4278 41.719 60.4277 -72.9726 GPRESSAVG: 1604000 -52.5106 21.4996 42.5724 17.3996 76.2619 60.4478 40.8231 62.1494 -72.0055 TIMING: 1604000 CPU: 4771.57, 0.00301498/step Wall: 4771.57, 0.00301498/step, 2.84413 hours remaining, 207.035156 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: 1604000 712.9319 2136.4295 1911.6775 104.7392 -206017.6497 17566.1599 0.0000 0.0000 34241.8779 -149343.8338 299.0428 -183585.7117 -149243.8348 298.8734 -167.4977 -131.9576 557330.9221 -15.9779 -16.0847 PRESSURE: 1604200 -50.9598 -93.1905 34.6447 -93.1901 -308.87 33.9927 34.6449 33.9927 44.9588 GPRESSURE: 1604200 -50.0436 -84.6161 -46.5973 -115.806 -202.942 51.023 48.372 7.75921 46.1651 PRESSAVG: 1604200 32.1317 4.00404 37.5354 4.00403 -30.7471 68.7568 37.5353 68.7568 -15.6171 GPRESSAVG: 1604200 34.7003 4.28032 38.9991 7.00389 -32.8986 68.4043 37.5598 65.6652 -16.0861 TIMING: 1604200 CPU: 4772.17, 0.00300536/step Wall: 4772.17, 0.00300536/step, 2.83489 hours remaining, 207.035156 MB of memory in use. ENERGY: 1604200 739.6106 2038.8066 1954.3986 128.6785 -206180.6957 17731.7282 0.0000 0.0000 34269.3285 -149318.1447 299.2826 -183587.4731 -149217.1645 299.1441 -104.9569 -68.9401 556891.7785 -4.7441 -4.7615 LDB: ============= START OF LOAD BALANCING ============== 4775.6 LDB: ============== END OF LOAD BALANCING =============== 4775.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4775.6 LDB: ============= START OF LOAD BALANCING ============== 4775.9 LDB: Largest compute 4821 load 0.027503 is 23.3% of average load 0.118045 LDB: Average compute 0.001720 is 1.5% of average load 0.118045 LDB: TIME 4775.9 LOAD: AVG 0.118045 MAX 0.201316 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 4775.9 LOAD: AVG 0.118045 MAX 0.201316 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.938 MB LDB: TIME 4775.9 LOAD: AVG 0.118045 MAX 0.201316 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4775.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4775.91 PRESSURE: 1604400 -53.6545 87.6669 66.7069 87.668 -204.09 109.793 66.7053 109.795 22.3859 GPRESSURE: 1604400 -8.78321 101.333 43.1391 27.5942 -131.29 45.7395 175.942 110.58 12.0964 PRESSAVG: 1604400 -8.95469 12.4398 19.3857 12.4398 -46.5838 -24.4044 19.3857 -24.4043 8.07091 GPRESSAVG: 1604400 -9.54949 11.0705 18.5844 11.8236 -45.9838 -24.135 21.1158 -24.2867 7.72048 TIMING: 1604400 CPU: 4772.78, 0.00304489/step Wall: 4772.78, 0.00304489/step, 2.87201 hours remaining, 206.437500 MB of memory in use. ENERGY: 1604400 729.6257 2079.6363 1952.2550 108.4212 -206235.3337 17752.9145 0.0000 0.0000 34141.2257 -149471.2553 298.1638 -183612.4810 -149375.1798 298.8567 -78.4528 -42.6588 557738.2667 -15.8225 -15.9376 PRESSURE: 1604600 35.5604 81.2277 44.4832 81.2271 207.395 -12.2835 44.4844 -12.2845 107.461 GPRESSURE: 1604600 51.5824 30.2661 72.7979 160.587 250.024 -39.6782 17.6532 -0.647691 138.861 PRESSAVG: 1604600 -50.9406 2.88318 -8.69273 2.88316 69.7351 -18.2087 -8.6926 -18.2087 -8.06238 GPRESSAVG: 1604600 -51.3163 3.40362 -7.79067 3.67207 70.1512 -18.1262 -9.60964 -15.8643 -8.35504 TIMING: 1604600 CPU: 4773.38, 0.00298804/step Wall: 4773.38, 0.00298804/step, 2.81822 hours remaining, 206.437500 MB of memory in use. ENERGY: 1604600 724.8733 2105.5578 1959.3009 115.1387 -206677.0358 18112.1220 0.0000 0.0000 34112.7857 -149547.2573 297.9154 -183660.0430 -149454.7548 298.2593 116.8055 146.8226 557111.7101 3.5774 3.4933 PRESSURE: 1604800 91.1209 92.5963 -142.993 92.596 -239.281 -63.8143 -142.993 -63.8143 34.8566 GPRESSURE: 1604800 91.5361 122.157 -20.0652 7.74101 -148.505 -110.425 -193.558 67.2026 42.4038 PRESSAVG: 1604800 4.6807 0.790917 -7.6029 0.790931 47.0884 -38.2581 -7.60288 -38.2584 -66.4375 GPRESSAVG: 1604800 3.75564 0.357991 -8.35085 0.380569 47.3474 -39.1715 -8.79675 -39.1631 -65.6798 TIMING: 1604800 CPU: 4773.97, 0.00297744/step Wall: 4773.97, 0.00297744/step, 2.80806 hours remaining, 206.437500 MB of memory in use. ENERGY: 1604800 800.3329 2081.3941 1973.0241 115.9150 -206430.9056 17798.8253 0.0000 0.0000 34164.8806 -149496.5336 298.3704 -183661.4142 -149400.2813 298.2817 -37.7677 -4.8551 556272.0176 -4.8895 -4.8589 PRESSURE: 1605000 -112.445 -49.2613 -49.1445 -49.2615 -31.5111 -69.8747 -49.1447 -69.8753 -316.212 GPRESSURE: 1605000 -37.7609 -53.9913 -68.9134 -76.2729 13.0696 14.3579 -41.9683 -86.1945 -337.218 PRESSAVG: 1605000 -29.1362 89.3357 -37.6215 89.3358 32.2524 54.9286 -37.6215 54.9288 -4.39094 GPRESSAVG: 1605000 -28.2502 91.3219 -38.3099 88.2163 31.6287 57.103 -36.8717 51.9763 -4.78125 TIMING: 1605000 CPU: 4774.56, 0.00296287/step Wall: 4774.56, 0.00296287/step, 2.79415 hours remaining, 206.437500 MB of memory in use. ENERGY: 1605000 725.5259 2072.3487 1944.2555 115.2898 -206249.2668 17711.5740 0.0000 0.0000 34197.9177 -149482.3554 298.6589 -183680.2730 -149385.4082 298.9196 -153.3893 -120.6363 556762.9383 -0.4249 -0.4676 PRESSURE: 1605200 -234.638 -47.9766 22.4243 -47.9766 83.3871 -41.0484 22.4249 -41.0471 -198.398 GPRESSURE: 1605200 -169.37 -99.8779 38.3685 -33.4394 94.9182 -48.6152 71.6877 -12.9387 -176.804 PRESSAVG: 1605200 10.572 14.808 -37.6212 14.8081 -21.7807 43.1651 -37.6213 43.1652 26.7505 GPRESSAVG: 1605200 9.59404 14.9661 -35.6089 15.5747 -21.2605 41.5409 -37.4308 45.0391 27.2439 TIMING: 1605200 CPU: 4775.15, 0.00295191/step Wall: 4775.15, 0.00295191/step, 2.78365 hours remaining, 206.437500 MB of memory in use. ENERGY: 1605200 745.9465 2043.4642 1932.3614 114.2769 -206167.4504 17747.6598 0.0000 0.0000 34205.8649 -149377.8767 298.7283 -183583.7416 -149279.7570 298.5247 -116.5494 -83.7519 558164.7548 5.1806 5.1925 PRESSURE: 1605400 171.74 42.664 4.14569 42.6652 91.0189 -33.1613 4.14541 -33.161 200.582 GPRESSURE: 1605400 211.501 92.7662 6.05701 -21.2486 130.833 44.9849 55.0779 -44.2359 205.871 PRESSAVG: 1605400 43.5855 18.8913 42.3542 18.8913 -44.3002 7.75376 42.3541 7.75389 -16.6874 GPRESSAVG: 1605400 43.3685 18.1145 39.5681 18.5764 -43.6129 8.19654 43.826 8.00018 -17.3944 TIMING: 1605400 CPU: 4775.75, 0.00296091/step Wall: 4775.75, 0.00296091/step, 2.79198 hours remaining, 206.437500 MB of memory in use. ENERGY: 1605400 720.5275 2053.3688 1915.5876 110.9721 -206615.5292 18107.0118 0.0000 0.0000 34315.2610 -149392.8005 299.6837 -183708.0615 -149298.0045 298.6360 154.4469 182.7351 558156.4707 -5.8007 -5.8796 PRESSURE: 1605600 -63.945 -130.227 117.585 -130.227 -3.57055 33.8629 117.585 33.8646 -127.586 GPRESSURE: 1605600 -88.0384 -63.4313 133.774 -110.588 41.9713 -7.81644 181.19 49.5392 -58.9318 PRESSAVG: 1605600 6.38397 21.8077 7.79273 21.8076 30.9971 48.578 7.79267 48.5779 12.4919 GPRESSAVG: 1605600 6.58701 24.7403 12.6314 21.1069 30.2423 50.4454 6.00289 48.2704 13.4324 TIMING: 1605600 CPU: 4776.34, 0.00295999/step Wall: 4776.34, 0.00295999/step, 2.79094 hours remaining, 206.437500 MB of memory in use. ENERGY: 1605600 734.3436 2041.3005 1927.1724 126.7112 -206317.9464 17836.9018 0.0000 0.0000 34153.9210 -149497.5961 298.2747 -183651.5170 -149405.8689 299.4634 -65.0339 -34.9996 558017.8757 16.6243 16.7539 PRESSURE: 1605800 -78.2734 -34.2541 77.3963 -34.254 291.044 -50.7299 77.396 -50.7309 38.1772 GPRESSURE: 1605800 2.65653 -67.4431 -2.1348 -32.1012 299.093 -47.7094 112.711 5.87676 48.5651 PRESSAVG: 1605800 49.2723 27.7111 29.9343 27.7112 -24.489 23.5834 29.9342 23.5833 -28.1133 GPRESSAVG: 1605800 49.5224 25.3701 25.5691 28.9192 -24.1961 21.1657 31.2204 25.2767 -29.4682 TIMING: 1605800 CPU: 4776.93, 0.00297204/step Wall: 4776.93, 0.00297204/step, 2.80214 hours remaining, 206.437500 MB of memory in use. ENERGY: 1605800 719.5554 2149.9234 1914.2366 113.2199 -206514.8732 17933.8934 0.0000 0.0000 34087.2785 -149596.7660 297.6927 -183684.0445 -149511.0966 297.8739 83.6493 116.7716 556802.1010 -1.1100 -1.3806 PRESSURE: 1606000 -19.0218 -24.4977 13.0145 -24.497 -158.342 -324.002 13.017 -324.004 -166.08 GPRESSURE: 1606000 39.1272 60.9571 55.2336 24.7873 -105.352 -329.913 3.06642 -370.664 -183.349 PRESSAVG: 1606000 38.6022 11.4776 30.2393 11.4777 -24.4565 32.5562 30.2392 32.5563 32.9825 GPRESSAVG: 1606000 38.4127 12.1483 30.1295 12.9372 -24.6555 33.1043 31.1597 30.7427 33.8505 TIMING: 1606000 CPU: 4777.53, 0.00296258/step Wall: 4777.53, 0.00296258/step, 2.79305 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: 1606000 738.8794 2076.9405 1922.0936 116.0806 -206587.4639 17840.5494 0.0000 0.0000 34174.8718 -149718.0486 298.4577 -183892.9204 -149621.2114 298.2706 -114.4811 -83.1913 557489.3698 15.7094 15.8692 PRESSURE: 1606200 23.2598 91.9243 -180.377 91.9249 239.881 -57.1853 -180.377 -57.1855 -175.05 GPRESSURE: 1606200 79.7969 94.1915 -202.476 60.2071 216.784 1.11878 -228.072 -62.9693 -124.292 PRESSAVG: 1606200 -2.99152 70.6094 -9.65853 70.6093 -7.68019 -8.69131 -9.65858 -8.69134 33.7988 GPRESSAVG: 1606200 -2.81721 69.9944 -7.00916 69.0525 -6.26009 -8.9597 -13.363 -6.39153 32.1942 TIMING: 1606200 CPU: 4778.12, 0.00299367/step Wall: 4778.12, 0.00299367/step, 2.8222 hours remaining, 206.437500 MB of memory in use. ENERGY: 1606200 748.5768 2099.2502 1923.2439 107.5582 -207019.4778 18152.8656 0.0000 0.0000 34311.5051 -149676.4779 299.6509 -183987.9830 -149577.9932 298.0877 29.3636 57.4293 557694.6289 7.7090 7.7056 PRESSURE: 1606400 -279.022 -195.688 161.154 -195.69 -95.6166 151.61 161.155 151.61 -149.997 GPRESSURE: 1606400 -237.739 -171.168 115.581 -178.126 -122.911 145.967 155.92 85.1166 -66.1983 PRESSAVG: 1606400 -38.3208 35.164 40.8292 35.164 27.4217 -14.963 40.8292 -14.963 6.31702 GPRESSAVG: 1606400 -37.1868 35.764 39.2966 35.3445 24.8978 -15.5195 43.3994 -16.8543 7.86654 TIMING: 1606400 CPU: 4778.72, 0.00299444/step Wall: 4778.72, 0.00299444/step, 2.82276 hours remaining, 206.437500 MB of memory in use. ENERGY: 1606400 745.9623 2117.0412 1930.9580 120.8556 -206362.6979 17813.8840 0.0000 0.0000 33880.9835 -149753.0133 295.8911 -183633.9968 -149647.5801 296.8292 -174.8787 -142.2827 559024.4546 -1.5274 -1.4742 PRESSURE: 1606600 -74.0407 -38.1491 76.592 -38.1486 255.771 -45.4402 76.5925 -45.4413 -61.0963 GPRESSURE: 1606600 -30.3262 -58.9969 83.2555 -31.8069 241.921 -47.1639 119.915 -80.972 -0.480439 PRESSAVG: 1606600 3.34245 -31.3489 21.0419 -31.3489 14.8404 -36.1531 21.042 -36.1532 42.0285 GPRESSAVG: 1606600 2.85314 -34.4415 21.598 -28.8896 14.6085 -35.1283 21.8602 -36.0721 42.7252 TIMING: 1606600 CPU: 4779.32, 0.00299711/step Wall: 4779.32, 0.00299711/step, 2.82511 hours remaining, 206.437500 MB of memory in use. ENERGY: 1606600 781.6467 2055.4906 1930.3762 110.1720 -206826.9704 18127.9301 0.0000 0.0000 34258.5950 -149562.7597 299.1888 -183821.3548 -149470.9198 298.1461 40.2114 70.3715 557528.4623 20.0705 20.0623 PRESSURE: 1606800 -57.6287 -36.1255 65.0467 -36.125 63.9489 12.3682 65.0462 12.3683 14.1168 GPRESSURE: 1606800 -57.3794 -47.05 84.272 14.9883 112.082 -39.1755 34.7394 62.7787 55.4808 PRESSAVG: 1606800 -38.9295 35.4167 18.7771 35.4167 -5.95201 13.5276 18.777 13.5276 9.22422 GPRESSAVG: 1606800 -38.609 37.2122 20.1481 31.8959 -5.22648 16.0362 17.2005 13.9113 8.2978 TIMING: 1606800 CPU: 4779.92, 0.00297291/step Wall: 4779.92, 0.00297291/step, 2.80213 hours remaining, 206.437500 MB of memory in use. ENERGY: 1606800 716.0558 2054.3381 1924.1884 113.1306 -206477.8332 17964.2998 0.0000 0.0000 34400.9721 -149304.8484 300.4322 -183705.8205 -149205.4402 298.0862 6.8123 36.7277 558264.0120 -11.8858 -11.8459 PRESSURE: 1607000 -287.162 18.2743 74.8078 18.2734 -290.594 -202.949 74.808 -202.947 -211.745 GPRESSURE: 1607000 -265.977 74.518 -19.0292 25.6834 -256.978 -217.034 92.6436 -185.303 -173.066 PRESSAVG: 1607000 16.247 38.6633 -14.068 38.6633 -6.37165 -36.0663 -14.0679 -36.0664 -13.7926 GPRESSAVG: 1607000 15.7664 36.5108 -15.2653 39.8144 -5.47063 -36.474 -14.5907 -37.0322 -14.9381 TIMING: 1607000 CPU: 4780.51, 0.00297487/step Wall: 4780.51, 0.00297488/step, 2.80382 hours remaining, 206.437500 MB of memory in use. ENERGY: 1607000 766.8537 2100.2838 1955.1647 113.7849 -206121.1184 17568.1781 0.0000 0.0000 33968.0247 -149648.8286 296.6512 -183616.8533 -149546.2122 298.2940 -263.1673 -232.0073 557908.4938 -1.3057 -1.5474 PRESSURE: 1607200 -12.6774 107.107 -92.0445 107.107 25.5652 40.0214 -92.0447 40.0201 26.1344 GPRESSURE: 1607200 5.10807 24.6258 -156.694 212.511 64.2535 70.7848 -72.9054 119.08 54.3654 PRESSAVG: 1607200 14.3217 14.5201 -26.8146 14.5202 73.3367 -7.09369 -26.8147 -7.09371 -46.8036 GPRESSAVG: 1607200 13.6722 14.6605 -29.44 15.7286 73.2936 -8.18536 -25.7176 -3.74188 -45.556 TIMING: 1607200 CPU: 4781.1, 0.00295541/step Wall: 4781.1, 0.00295541/step, 2.78531 hours remaining, 206.437500 MB of memory in use. ENERGY: 1607200 732.3060 2126.5354 1936.0953 110.9752 -206827.7837 18024.5396 0.0000 0.0000 34353.8660 -149543.4662 300.0209 -183897.3322 -149447.2610 298.4600 13.0074 41.2423 556280.4923 13.6183 13.8033 PRESSURE: 1607400 -128.096 64.5812 57.2548 64.5813 -61.8614 -38.3903 57.2553 -38.3903 -146.664 GPRESSURE: 1607400 -76.4148 65.8281 43.6263 -2.22175 -53.8162 17.2348 80.9101 -55.4693 -102.803 PRESSAVG: 1607400 -58.232 -22.0761 -7.5814 -22.0761 33.6127 -31.4554 -7.58144 -31.4554 3.21232 GPRESSAVG: 1607400 -57.3785 -21.3584 -6.46051 -22.356 33.0324 -31.5443 -9.3721 -34.2402 2.87911 TIMING: 1607400 CPU: 4781.7, 0.00296706/step Wall: 4781.7, 0.00296706/step, 2.79612 hours remaining, 206.437500 MB of memory in use. ENERGY: 1607400 779.7939 2047.6243 1948.8559 115.7323 -206299.0894 17921.3510 0.0000 0.0000 34149.9615 -149335.7705 298.2401 -183485.7320 -149234.7883 298.5325 -112.2068 -77.6780 556885.3104 -7.1357 -7.1557 PRESSURE: 1607600 1.43985 -42.7779 74.6635 -42.7781 122.875 -24.1931 74.6637 -24.1926 60.2721 GPRESSURE: 1607600 59.8735 -76.1218 74.0823 -70.6918 119.293 -55.4553 87.8918 8.43335 93.0622 PRESSAVG: 1607600 -43.2598 -20.8179 -3.82238 -20.818 27.2525 0.116695 -3.82235 0.116744 1.09994 GPRESSAVG: 1607600 -42.8319 -19.7637 -3.82175 -20.6678 28.3959 0.361851 -2.88439 -0.0776606 -0.047428 TIMING: 1607600 CPU: 4782.29, 0.00297666/step Wall: 4782.29, 0.00297666/step, 2.80501 hours remaining, 206.437500 MB of memory in use. ENERGY: 1607600 770.8123 2025.3052 1941.2064 108.9465 -206723.7305 18115.3209 0.0000 0.0000 34362.2307 -149399.9085 300.0939 -183762.1392 -149303.1001 298.8506 61.5290 90.7428 555485.2701 -4.9691 -4.8278 PRESSURE: 1607800 -19.8758 196.792 -78.6494 196.793 27.4913 6.47092 -78.6491 6.47069 -133.103 GPRESSURE: 1607800 -5.22935 236.959 -85.1404 189.052 29.1709 -33.5888 -46.9299 21.5358 -56.9879 PRESSAVG: 1607800 38.2017 -0.772231 -38.0727 -0.772268 -27.0236 45.5515 -38.0728 45.5516 -24.8225 GPRESSAVG: 1607800 36.5652 -2.73877 -37.4281 0.101938 -26.5356 45.05 -38.4793 45.9424 -24.5564 TIMING: 1607800 CPU: 4782.89, 0.00297834/step Wall: 4782.89, 0.00297834/step, 2.80642 hours remaining, 206.437500 MB of memory in use. ENERGY: 1607800 754.1372 2114.8194 1919.7717 118.7251 -206144.4569 17695.3182 0.0000 0.0000 34074.3533 -149467.3321 297.5798 -183541.6853 -149366.9783 298.6154 -41.8293 -11.0154 556304.5045 -4.5481 -4.8423 PRESSURE: 1608000 424.028 46.0293 45.1613 46.0307 56.8289 -54.0003 45.1607 -54.0006 149.443 GPRESSURE: 1608000 374.08 80.2776 56.8418 -30.4255 92.3229 -97.4802 18.5732 -37.0451 260.037 PRESSAVG: 1608000 4.61563 9.62547 -25.4895 9.62541 28.557 87.606 -25.4894 87.6061 -51.8555 GPRESSAVG: 1608000 3.42326 11.1349 -24.1493 8.37902 27.2542 88.5764 -25.7495 86.3389 -49.5765 TIMING: 1608000 CPU: 4783.48, 0.00296754/step Wall: 4783.48, 0.00296754/step, 2.79608 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: 1608000 713.4799 2134.2327 1926.2961 110.5577 -206645.4077 18052.4568 0.0000 0.0000 34342.9762 -149365.4082 299.9258 -183708.3845 -149280.7918 298.5640 210.1000 242.1468 555687.0199 -6.2276 -6.2997 PRESSURE: 1608200 -395.079 22.9033 25.5477 22.9034 -0.108577 45.3198 25.5476 45.3197 -75.6694 GPRESSURE: 1608200 -318.838 74.0232 62.9134 26.723 8.46493 66.9992 -43.5406 -22.2076 -57.9157 PRESSAVG: 1608200 24.5739 28.985 -14.4586 28.9851 -35.0368 56.6987 -14.4586 56.6987 -4.98449 GPRESSAVG: 1608200 26.3845 28.0372 -15.7695 29.7399 -33.9625 55.0088 -15.6019 59.8812 -7.94888 TIMING: 1608200 CPU: 4784.07, 0.00296132/step Wall: 4784.07, 0.00296132/step, 2.79006 hours remaining, 206.437500 MB of memory in use. ENERGY: 1608200 737.1167 2136.8009 1940.3340 111.2082 -206081.6136 17537.6301 0.0000 0.0000 34260.5988 -149357.9248 299.2063 -183618.5236 -149263.1707 298.1929 -156.9524 -122.7630 556961.9337 -5.1491 -5.1756 LDB: ============= START OF LOAD BALANCING ============== 4787.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4787.5 LDB: =============== DONE WITH MIGRATION ================ 4787.51 LDB: ============= START OF LOAD BALANCING ============== 4787.81 LDB: Largest compute 4821 load 0.026650 is 22.6% of average load 0.117983 LDB: Average compute 0.001719 is 1.5% of average load 0.117983 LDB: TIME 4787.81 LOAD: AVG 0.117983 MAX 0.20131 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.906 MB LDB: TIME 4787.81 LOAD: AVG 0.117983 MAX 0.20131 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: TIME 4787.81 LOAD: AVG 0.117983 MAX 0.20131 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: ============== END OF LOAD BALANCING =============== 4787.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4787.81 PRESSURE: 1608400 29.9428 -15.7493 -58.072 -15.7502 45.8233 -112.952 -58.0716 -112.952 -98.3133 GPRESSURE: 1608400 44.0249 -38.1164 -137.106 -6.10436 76.7002 -37.9416 -38.2483 -138.667 -40.2246 PRESSAVG: 1608400 38.0584 49.1312 6.67271 49.1311 -4.28347 35.8229 6.67263 35.8229 -18.1179 GPRESSAVG: 1608400 37.6289 50.2671 7.36963 49.0421 -4.15763 36.3083 8.30264 31.9572 -16.6775 TIMING: 1608400 CPU: 4784.69, 0.00306149/step Wall: 4784.69, 0.00306149/step, 2.88427 hours remaining, 206.453125 MB of memory in use. ENERGY: 1608400 787.3550 2126.0163 1947.8801 114.5977 -206104.4740 17780.9007 0.0000 0.0000 34169.0476 -149178.6765 298.4068 -183347.7241 -149084.7531 299.0269 -7.5157 26.8335 556079.2237 5.2190 5.5979 PRESSURE: 1608600 70.5983 58.8453 236.287 58.8465 -80.4161 -114.482 236.288 -114.48 179.329 GPRESSURE: 1608600 124.684 40.9367 168.996 25.215 1.84983 -55.2886 216.528 -89.7679 143.739 PRESSAVG: 1608600 95.481 -1.69869 21.5707 -1.69861 -45.0727 -21.5609 21.5707 -21.561 -34.4404 GPRESSAVG: 1608600 95.4009 -2.68167 21.7327 -2.61368 -46.4865 -22.4256 21.4986 -19.1179 -33.255 TIMING: 1608600 CPU: 4785.28, 0.00298823/step Wall: 4785.28, 0.00298823/step, 2.81508 hours remaining, 206.453125 MB of memory in use. ENERGY: 1608600 758.0387 2152.5973 1953.4521 108.4703 -206044.6075 17777.6145 0.0000 0.0000 34211.8369 -149082.5978 298.7805 -183294.4347 -148985.8843 299.1980 56.5036 90.0910 556656.4140 5.3226 5.2198 PRESSURE: 1608800 249.588 98.2624 30.2949 98.2616 15.7268 -41.4556 30.2958 -41.4535 -83.6821 GPRESSURE: 1608800 287.942 153.138 18.885 51.0766 33.2745 -25.1721 51.9323 -43.0575 -38.9429 PRESSAVG: 1608800 39.919 -25.0923 20.1007 -25.0922 -43.6272 -52.9664 20.1007 -52.9665 17.9886 GPRESSAVG: 1608800 39.9652 -23.538 18.6077 -25.5585 -43.9735 -52.34 20.1084 -53.5331 18.8725 TIMING: 1608800 CPU: 4785.88, 0.00297204/step Wall: 4785.88, 0.00297204/step, 2.79966 hours remaining, 206.453125 MB of memory in use. ENERGY: 1608800 735.1454 2118.1928 1949.8714 114.4516 -205944.6893 17888.2482 0.0000 0.0000 34236.6983 -148902.0817 298.9976 -183138.7800 -148794.8550 300.1547 60.5442 94.0913 558220.2745 4.7601 4.9547 PRESSURE: 1609000 96.4969 -1.8441 31.4216 -1.84493 -211.403 169.053 31.4204 169.054 -63.7812 GPRESSURE: 1609000 105.84 -55.9126 150.131 -9.2738 -210.71 178.096 -11.9737 76.0347 28.5799 PRESSAVG: 1609000 71.7174 -25.3935 -16.2388 -25.3935 -77.2254 -1.51292 -16.2389 -1.51299 12.7759 GPRESSAVG: 1609000 72.464 -26.9003 -15.4416 -23.6825 -76.5228 -0.549266 -16.5948 -1.75535 11.8862 TIMING: 1609000 CPU: 4786.47, 0.00296309/step Wall: 4786.47, 0.00296309/step, 2.79107 hours remaining, 206.453125 MB of memory in use. ENERGY: 1609000 752.8263 2105.9071 1969.5090 113.4495 -206090.7428 17882.8182 0.0000 0.0000 34339.0735 -148927.1592 299.8917 -183266.2327 -148835.3957 299.8092 -59.5624 -25.4300 558384.8612 2.4227 2.6091 PRESSURE: 1609200 -64.2649 60.9661 94.0209 60.9671 -217.244 -77.969 94.0223 -77.9702 -180.21 GPRESSURE: 1609200 -48.7336 6.59699 93.9213 67.9343 -179.099 -117.79 99.4845 -58.8395 -141.074 PRESSAVG: 1609200 -7.32205 -3.78511 7.68715 -3.7851 17.2403 5.45976 7.68716 5.45969 -8.05855 GPRESSAVG: 1609200 -8.63093 -4.00905 8.98524 -5.78758 18.1996 4.48113 7.4767 6.98709 -7.84112 TIMING: 1609200 CPU: 4787.06, 0.00295554/step Wall: 4787.06, 0.00295554/step, 2.78379 hours remaining, 206.453125 MB of memory in use. ENERGY: 1609200 784.4945 2109.4804 1953.8689 110.5924 -206096.6085 17734.1210 0.0000 0.0000 34354.5731 -149049.4782 300.0270 -183404.0513 -148955.9810 299.5177 -153.9063 -122.9689 559105.6051 0.6199 0.5758 PRESSURE: 1609400 -220.686 -129.689 -43.5849 -129.689 -72.5873 31.8492 -43.5843 31.8493 -13.2515 GPRESSURE: 1609400 -190.077 -64.3433 -109.725 -220.14 -13.3753 90.2131 -9.2911 -2.4017 -4.77888 PRESSAVG: 1609400 -51.9443 11.9956 -41.0791 11.9955 23.175 -44.7324 -41.0792 -44.7323 34.7773 GPRESSAVG: 1609400 -50.7742 11.4435 -40.0731 12.8415 22.5475 -45.6247 -39.3474 -46.1503 34.3376 TIMING: 1609400 CPU: 4787.65, 0.00295142/step Wall: 4787.65, 0.00295142/step, 2.77974 hours remaining, 206.453125 MB of memory in use. ENERGY: 1609400 778.0709 2059.1768 1951.8067 108.9902 -205845.5035 17668.1019 0.0000 0.0000 34215.5860 -149063.7710 298.8132 -183279.3570 -148972.2326 299.9327 -102.1751 -69.4104 558376.8493 2.0027 2.0370 PRESSURE: 1609600 149.37 164.456 41.8656 164.456 -316.249 25.1758 41.866 25.1748 -169.069 GPRESSURE: 1609600 119.944 107.503 72.7872 108.171 -255.302 65.2058 91.0687 47.7306 -100.652 PRESSAVG: 1609600 65.8249 -17.8703 -27.7263 -17.8704 -43.6157 35.4728 -27.7263 35.4728 -10.751 GPRESSAVG: 1609600 65.4796 -17.749 -28.4187 -18.3482 -43.3877 38.2502 -28.3019 36.14 -10.9851 TIMING: 1609600 CPU: 4788.24, 0.00294508/step Wall: 4788.24, 0.00294508/step, 2.77361 hours remaining, 206.453125 MB of memory in use. ENERGY: 1609600 763.0136 2101.0506 1953.7206 102.7083 -206187.5290 17813.3562 0.0000 0.0000 34360.2575 -149093.4222 300.0767 -183453.6797 -149011.1235 299.5439 -111.9826 -78.6700 559029.7820 3.8194 3.7023 PRESSURE: 1609800 -123.707 -44.928 -22.3745 -44.9287 -228.972 -10.8844 -22.3743 -10.8827 63.5401 GPRESSURE: 1609800 -119.16 -122.233 -44.9323 -51.9968 -154.241 -15.9105 10.4507 21.3323 85.25 PRESSAVG: 1609800 69.2072 -23.2018 91.9496 -23.2019 -110.152 -4.64141 91.9496 -4.64127 38.0915 GPRESSAVG: 1609800 67.8453 -22.27 92.0653 -22.2306 -108.903 -5.35752 91.5494 -6.62284 38.1536 TIMING: 1609800 CPU: 4788.83, 0.00296212/step Wall: 4788.83, 0.00296212/step, 2.7895 hours remaining, 206.453125 MB of memory in use. ENERGY: 1609800 747.2340 2025.6791 1935.9673 113.2511 -206005.0554 17704.8423 0.0000 0.0000 34143.2593 -149334.8223 298.1816 -183478.0815 -149232.6176 299.1105 -96.3798 -62.7173 559083.4752 -0.9512 -0.9680 PRESSURE: 1610000 86.979 58.9337 97.5765 58.9341 -306.472 60.3097 97.5776 60.3091 -295.954 GPRESSURE: 1610000 110.566 35.5094 111.01 71.0635 -312.664 75.0992 98.0453 37.8494 -230.807 PRESSAVG: 1610000 51.224 13.6342 -9.42857 13.6342 -50.1221 -0.211164 -9.42858 -0.211169 6.91307 GPRESSAVG: 1610000 50.7319 14.009 -11.5968 13.205 -51.1933 -1.88857 -8.02447 2.4912 8.48129 TIMING: 1610000 CPU: 4789.43, 0.00297223/step Wall: 4789.43, 0.00297223/step, 2.79885 hours remaining, 206.453125 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: 1610000 723.0163 2077.8780 1960.6621 109.1314 -205913.3464 17705.7584 0.0000 0.0000 34054.4007 -149282.4995 297.4056 -183336.9002 -149182.3217 298.8529 -171.8158 -144.3016 558577.6898 2.6717 2.6733 PRESSURE: 1610200 -55.3517 -30.5916 -22.1351 -30.5916 -76.4334 -41.6038 -22.1353 -41.6028 -103.817 GPRESSURE: 1610200 -20.6308 -12.5813 -39.3551 8.50277 -25.7603 -115.053 -104.704 -38.5267 -91.7312 PRESSAVG: 1610200 33.5634 10.0962 -9.29859 10.0962 16.7344 -8.27644 -9.29858 -8.2764 -38.2904 GPRESSAVG: 1610200 34.939 12.5351 -8.22161 8.26108 15.6477 -5.62746 -10.3404 -9.6348 -39.0659 TIMING: 1610200 CPU: 4790.02, 0.00295017/step Wall: 4790.02, 0.00295017/step, 2.77791 hours remaining, 206.453125 MB of memory in use. ENERGY: 1610200 773.4656 2018.2509 1980.3773 110.6082 -206322.0385 17945.8306 0.0000 0.0000 34335.6334 -149157.8725 299.8616 -183493.5059 -149060.1295 298.8520 -78.5341 -46.0408 557793.2990 4.0024 3.8403 PRESSURE: 1610400 -225.295 -40.8219 74.5518 -40.8212 -52.8861 63.1626 74.553 63.1642 226.342 GPRESSURE: 1610400 -226.348 -123.954 80.5761 -45.9586 -38.7028 102.945 166.061 55.9405 295.739 PRESSAVG: 1610400 -69.1052 32.1619 31.4265 32.1618 -12.6571 1.1415 31.4265 1.14147 71.6605 GPRESSAVG: 1610400 -70.1883 27.7376 33.0725 34.0076 -13.0514 -1.31564 30.6717 1.77902 73.377 TIMING: 1610400 CPU: 4790.61, 0.00296083/step Wall: 4790.61, 0.00296083/step, 2.78779 hours remaining, 206.453125 MB of memory in use. ENERGY: 1610400 733.5890 2075.9789 1944.6389 108.2929 -205871.4046 17570.5926 0.0000 0.0000 34240.6673 -149197.6450 299.0323 -183438.3123 -149104.5742 299.3451 -17.2796 10.2294 556428.5182 -3.3673 -3.2875 PRESSURE: 1610600 -73.622 87.1125 44.085 87.1156 -235.068 110.69 44.085 110.688 -70.4798 GPRESSURE: 1610600 -3.69728 55.0927 114.486 48.3948 -179.638 69.4111 6.94745 87.7366 -102.234 PRESSAVG: 1610600 70.6958 10.6804 45.7752 10.6804 -4.61685 48.597 45.7751 48.597 -24.6093 GPRESSAVG: 1610600 71.8602 11.2296 43.1854 10.4162 -3.27945 48.8292 46.9506 48.0791 -27.181 TIMING: 1610600 CPU: 4791.21, 0.00298126/step Wall: 4791.21, 0.00298126/step, 2.80686 hours remaining, 206.453125 MB of memory in use. ENERGY: 1610600 730.4027 2116.0600 1946.5926 114.2911 -205784.3503 17464.5690 0.0000 0.0000 34416.8352 -148995.5997 300.5708 -183412.4349 -148898.2719 299.1699 -126.3899 -95.1897 557006.5872 13.8232 13.7999 PRESSURE: 1610800 24.9986 -78.9836 24.0113 -78.9841 -168.688 34.4526 24.0126 34.4532 -149.233 GPRESSURE: 1610800 62.8941 -69.5783 129.746 -79.5708 -126.241 27.5158 -1.42439 4.82965 -122.268 PRESSAVG: 1610800 23.8169 -26.8377 3.6349 -26.8377 2.69588 21.407 3.63492 21.407 17.3611 GPRESSAVG: 1610800 24.5286 -25.0985 5.15713 -27.5938 1.97497 21.787 3.84588 20.937 17.514 TIMING: 1610800 CPU: 4791.8, 0.0029774/step Wall: 4791.8, 0.0029774/step, 2.80306 hours remaining, 206.453125 MB of memory in use. ENERGY: 1610800 711.7109 2176.4584 1949.9549 111.1605 -205825.4523 17587.4542 0.0000 0.0000 34297.0577 -148991.6556 299.5247 -183288.7134 -148894.1797 299.9745 -97.6409 -61.8717 558703.5517 14.6246 14.6725 PRESSURE: 1611000 -124.512 52.5838 12.1538 52.5845 -107.038 -172.154 12.1536 -172.154 -196.672 GPRESSURE: 1611000 -93.886 75.417 -68.6712 4.06492 -75.5707 -161.8 75.5665 -127.878 -165.073 PRESSAVG: 1611000 59.0949 25.5925 -6.65106 25.5924 -0.475188 -8.54417 -6.65105 -8.54429 -33.481 GPRESSAVG: 1611000 58.4961 26.6193 -7.86287 24.5755 0.192328 -9.13995 -6.28528 -7.927 -33.0871 TIMING: 1611000 CPU: 4792.4, 0.00299698/step Wall: 4792.4, 0.00299698/step, 2.82132 hours remaining, 206.453125 MB of memory in use. ENERGY: 1611000 754.5141 2121.8540 1947.5187 113.7347 -205790.5022 17633.3320 0.0000 0.0000 34265.8115 -148953.7372 299.2519 -183219.5487 -148862.4475 299.9964 -142.7403 -111.5098 558866.6479 8.3796 8.5338 PRESSURE: 1611200 -19.2428 40.946 -27.1943 40.9457 -320.183 75.3851 -27.1938 75.3841 -133.944 GPRESSURE: 1611200 -3.42677 21.0572 -66.7608 14.0896 -284.542 35.0754 -13.8775 191.421 -83.5229 PRESSAVG: 1611200 -22.1783 0.401557 26.4839 0.40171 31.6386 16.6483 26.4838 16.6483 -61.8262 GPRESSAVG: 1611200 -22.3752 -0.604326 26.8788 1.71048 30.3198 19.9707 26.53 15.8276 -60.2103 TIMING: 1611200 CPU: 4793, 0.00298031/step Wall: 4793, 0.00298031/step, 2.80546 hours remaining, 206.453125 MB of memory in use. ENERGY: 1611200 809.4631 2126.5533 1963.1050 108.5809 -206023.0305 17771.1901 0.0000 0.0000 34261.9353 -148982.2026 299.2180 -183244.1379 -148877.6689 300.2664 -157.7900 -123.8307 558796.2438 -17.4553 -17.4219 PRESSURE: 1611400 50.599 131.497 22.7428 131.498 -293.43 -199.601 22.7425 -199.601 9.57608 GPRESSURE: 1611400 92.0601 213.633 -21.2932 140.293 -300.865 -159.014 144.074 -203.006 73.9814 PRESSAVG: 1611400 14.7475 -26.8756 -16.1222 -26.8756 -12.0527 -89.3169 -16.1222 -89.3169 -31.9517 GPRESSAVG: 1611400 14.6698 -27.7206 -18.3179 -26.1312 -11.35 -90.7167 -16.0826 -90.8309 -32.8145 TIMING: 1611400 CPU: 4793.59, 0.00297898/step Wall: 4793.59, 0.00297898/step, 2.80404 hours remaining, 206.453125 MB of memory in use. ENERGY: 1611400 752.0772 2171.4328 1961.6838 128.9928 -206232.6113 17717.5765 0.0000 0.0000 34307.3179 -149193.5303 299.6143 -183500.8482 -149105.8820 299.8487 -77.7518 -44.9412 558439.6458 -9.7523 -9.8316 PRESSURE: 1611600 371.715 175.306 58.9888 175.307 -73.6476 114.079 58.9887 114.079 -109.187 GPRESSURE: 1611600 421.466 200.533 61.5637 91.615 -39.9123 111.889 85.3097 120.435 -98.9056 PRESSAVG: 1611600 37.8949 50.0836 23.8507 50.0836 -27.6851 2.47926 23.8506 2.47926 -2.35582 GPRESSAVG: 1611600 37.846 50.9714 26.8243 48.578 -27.8835 2.37089 25.2191 2.70245 -2.59251 TIMING: 1611600 CPU: 4794.19, 0.00297284/step Wall: 4794.19, 0.00297284/step, 2.7981 hours remaining, 206.453125 MB of memory in use. ENERGY: 1611600 781.0343 2064.9413 1927.6089 106.4302 -206425.2034 18038.7994 0.0000 0.0000 34211.3856 -149295.0038 298.7765 -183506.3893 -149202.7300 299.0690 62.9601 94.2159 557590.0811 2.6180 2.4566 PRESSURE: 1611800 -72.0998 72.5631 47.2685 72.5637 -48.2312 104.054 47.2701 104.053 249.202 GPRESSURE: 1611800 -0.964453 40.7183 106.362 123.6 -28.9609 57.6269 -101.951 54.0037 249.113 PRESSAVG: 1611800 63.0546 82.8318 9.38801 82.8318 -43.8111 -11.5524 9.38794 -11.5525 -47.2229 GPRESSAVG: 1611800 64.3144 82.5939 8.17966 83.4882 -44.658 -15.3294 6.60636 -9.53653 -47.8438 TIMING: 1611800 CPU: 4794.78, 0.00298732/step Wall: 4794.78, 0.00298732/step, 2.81157 hours remaining, 206.453125 MB of memory in use. ENERGY: 1611800 770.6884 2083.8838 1955.3259 121.1200 -206409.0366 17943.9871 0.0000 0.0000 34181.4952 -149352.5362 298.5155 -183534.0315 -149260.1248 298.9624 42.9570 73.0624 556549.6732 -9.3265 -9.3958 PRESSURE: 1612000 -237.317 16.69 162.111 16.6893 -56.1127 143.87 162.109 143.872 6.64567 GPRESSURE: 1612000 -204.146 74.2933 171.541 -19.8391 -63.2201 147.816 115.066 58.1761 69.0962 PRESSAVG: 1612000 -84.6311 18.9734 -29.0287 18.9734 -2.0268 -37.3314 -29.0287 -37.3316 111.76 GPRESSAVG: 1612000 -86.8473 18.9481 -27.2666 18.6981 -0.734451 -35.1726 -30.0583 -38.5777 112.362 TIMING: 1612000 CPU: 4795.38, 0.00297344/step Wall: 4795.38, 0.00297344/step, 2.79834 hours remaining, 206.453125 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: 1612000 732.0725 2065.4786 1948.6245 111.4632 -205991.8151 17628.5310 0.0000 0.0000 34186.3814 -149319.2639 298.5582 -183505.6453 -149219.5546 299.3478 -95.5946 -66.0899 557977.6561 8.3674 8.2601 PRESSURE: 1612200 71.1193 156.602 129.727 156.603 -86.1495 -67.4236 129.729 -67.4249 186.019 GPRESSURE: 1612200 134.829 103.88 51 161.318 -31.6689 -76.2394 74.2905 -69.6576 172.483 PRESSAVG: 1612200 -74.7021 20.9484 -75.6801 20.9484 38.324 -34.8806 -75.68 -34.8805 54.0811 GPRESSAVG: 1612200 -73.4709 19.5581 -78.3459 21.5666 38.6222 -32.5876 -73.5851 -33.792 52.8045 TIMING: 1612200 CPU: 4795.98, 0.0029842/step Wall: 4795.98, 0.0029842/step, 2.8083 hours remaining, 206.453125 MB of memory in use. ENERGY: 1612200 745.5870 2103.9586 1966.4721 111.2698 -206427.9087 17920.7512 0.0000 0.0000 34393.3697 -149186.5002 300.3659 -183579.8699 -149090.2515 299.6847 56.9964 91.8809 557439.6227 5.9010 5.9853 LDB: ============= START OF LOAD BALANCING ============== 4799.4 LDB: ============== END OF LOAD BALANCING =============== 4799.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4799.4 LDB: ============= START OF LOAD BALANCING ============== 4799.7 LDB: Largest compute 4821 load 0.025677 is 21.8% of average load 0.117990 LDB: Average compute 0.001710 is 1.4% of average load 0.117990 LDB: TIME 4799.71 LOAD: AVG 0.11799 MAX 0.200551 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 4799.71 LOAD: AVG 0.11799 MAX 0.200551 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 4799.71 LOAD: AVG 0.11799 MAX 0.200551 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4799.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4799.71 PRESSURE: 1612400 -97.9136 109.149 77.5412 109.15 156.589 -100.827 77.5401 -100.825 -42.4338 GPRESSURE: 1612400 -48.9142 70.5317 128.621 95.0345 203.823 -41.3133 31.9223 -51.3669 -32.4916 PRESSAVG: 1612400 -9.22068 21.1163 35.564 21.1162 21.3286 20.222 35.564 20.2219 -36.1441 GPRESSAVG: 1612400 -8.38506 22.1923 37.3934 19.6744 19.5872 20.2268 35.2529 19.9642 -35.6296 TIMING: 1612400 CPU: 4796.58, 0.00303784/step Wall: 4796.58, 0.00303784/step, 2.8586 hours remaining, 207.222656 MB of memory in use. ENERGY: 1612400 710.1111 2090.0335 1923.6611 122.1832 -205936.7654 17725.8065 0.0000 0.0000 34290.0109 -149074.9592 299.4632 -183364.9701 -148984.5250 300.1587 5.4139 40.8057 558466.8887 -8.0121 -8.1425 PRESSURE: 1612600 -216.692 -68.542 -137.065 -68.5433 -344.524 -305.329 -137.065 -305.329 98.9652 GPRESSURE: 1612600 -173.757 0.208546 -128.575 -95.2067 -326.203 -290.825 -80.129 -215.204 141.651 PRESSAVG: 1612600 -21.0823 -64.0957 -3.73851 -64.0957 -47.8379 5.13335 -3.73856 5.13329 120.265 GPRESSAVG: 1612600 -20.6342 -63.1445 -5.26624 -63.4011 -47.7468 2.74342 -3.49996 6.37202 119.716 TIMING: 1612600 CPU: 4797.18, 0.00298348/step Wall: 4797.18, 0.00298348/step, 2.80729 hours remaining, 207.222656 MB of memory in use. ENERGY: 1612600 744.0148 2114.3415 1939.2711 113.1868 -206267.2233 17689.0936 0.0000 0.0000 34380.8220 -149286.4934 300.2563 -183667.3153 -149189.4952 299.8234 -154.0835 -119.4364 557651.6063 17.1149 17.1118 PRESSURE: 1612800 -126.184 -97.9801 -28.6447 -97.9792 -91.8544 16.2128 -28.6453 16.2122 136.445 GPRESSURE: 1612800 -54.0536 -54.355 -181.88 -128.719 -63.9461 -6.11695 -43.7034 -90.9343 147.128 PRESSAVG: 1612800 1.77936 17.6022 -58.3982 17.6022 -41.4964 -5.7333 -58.3981 -5.73327 54.6386 GPRESSAVG: 1612800 0.847914 16.1679 -57.4487 17.5593 -41.4691 -4.82643 -59.1309 -7.31066 55.4523 TIMING: 1612800 CPU: 4797.78, 0.00300106/step Wall: 4797.78, 0.00300106/step, 2.82366 hours remaining, 207.222656 MB of memory in use. ENERGY: 1612800 757.4802 2034.6346 1932.1573 123.2754 -205986.8532 17557.0387 0.0000 0.0000 34440.1780 -149142.0890 300.7746 -183582.2670 -149036.6130 299.1537 -27.1979 9.7094 557177.4773 4.9739 4.9437 PRESSURE: 1613000 -17.0315 4.2109 -144.886 4.21173 7.38854 41.2167 -144.884 41.2164 -53.4308 GPRESSURE: 1613000 45.6256 35.0692 -81.3728 -54.2569 27.6736 53.2374 -186.572 65.4787 -31.7885 PRESSAVG: 1613000 -12.1317 -36.2791 -52.2699 -36.2792 -51.8001 28.0554 -52.27 28.0554 76.1781 GPRESSAVG: 1613000 -12.2541 -37.1974 -50.6934 -34.1854 -50.1412 27.0628 -52.8408 28.6369 75.1543 TIMING: 1613000 CPU: 4798.38, 0.00299252/step Wall: 4798.38, 0.00299252/step, 2.81546 hours remaining, 207.222656 MB of memory in use. ENERGY: 1613000 776.2783 2098.5319 1952.4052 112.1423 -206134.8985 17980.2203 0.0000 0.0000 34257.0842 -148958.2362 299.1756 -183215.3204 -148872.8811 300.0393 -21.0246 13.8369 559446.3491 4.0821 4.2530 PRESSURE: 1613200 29.7638 -106.575 -25.1476 -106.575 20.0395 -40.8176 -25.1459 -40.8165 69.1452 GPRESSURE: 1613200 64.1891 -69.8134 -65.4905 -93.2037 67.1657 -90.5107 4.06654 40.3455 82.5842 PRESSAVG: 1613200 -18.2688 -53.5719 9.49657 -53.5719 -28.4094 -70.3233 9.49662 -70.3232 30.1691 GPRESSAVG: 1613200 -19.1593 -51.921 6.74239 -55.2682 -28.4141 -69.2186 10.206 -70.9711 31.081 TIMING: 1613200 CPU: 4798.97, 0.00297196/step Wall: 4798.97, 0.00297196/step, 2.79596 hours remaining, 207.222656 MB of memory in use. ENERGY: 1613200 744.1739 2123.6632 1938.9571 108.6162 -205917.3398 17783.8428 0.0000 0.0000 34263.0273 -148955.0593 299.2275 -183218.0865 -148857.5538 299.9590 39.6495 71.3130 557978.3380 -5.5030 -5.4975 PRESSURE: 1613400 -114.724 -6.17924 24.4798 -6.17846 -88.3514 -141.011 24.4795 -141.011 -331.716 GPRESSURE: 1613400 -107.095 -65.3507 50.3248 23.8028 -82.4364 -186.151 -95.1161 -115.771 -236.198 PRESSAVG: 1613400 -2.13745 1.2142 -26.5892 1.21414 61.4281 -12.2516 -26.5892 -12.2516 -24.697 GPRESSAVG: 1613400 -2.84623 1.26938 -23.3074 1.09877 61.7491 -12.8554 -28.4736 -10.4039 -24.6701 TIMING: 1613400 CPU: 4799.57, 0.00296408/step Wall: 4799.57, 0.00296408/step, 2.78837 hours remaining, 207.222656 MB of memory in use. ENERGY: 1613400 763.8245 2152.5969 1922.8494 118.9863 -205683.4951 17519.5451 0.0000 0.0000 34335.5956 -148870.0974 299.8613 -183205.6929 -148768.6443 300.0685 -178.2639 -141.9098 559873.8518 11.5312 11.4109 PRESSURE: 1613600 196.254 -27.6101 59.7983 -27.6088 90.0847 -137.798 59.7973 -137.798 50.0256 GPRESSURE: 1613600 219.046 -25.699 88.0355 3.15299 152.657 -72.5939 -26.4159 -113.773 69.0628 PRESSAVG: 1613600 -23.4344 -26.2098 8.48351 -26.2098 27.4045 -44.3344 8.48357 -44.3343 14.2739 GPRESSAVG: 1613600 -23.1217 -26.3833 7.58404 -26.0438 27.7759 -44.3234 8.39408 -45.0002 14.3521 TIMING: 1613600 CPU: 4800.16, 0.00297471/step Wall: 4800.16, 0.00297471/step, 2.79821 hours remaining, 207.222656 MB of memory in use. ENERGY: 1613600 750.7192 2095.7225 1977.5946 107.4570 -206598.9337 18235.4047 0.0000 0.0000 34443.7385 -148988.2971 300.8057 -183432.0355 -148890.6930 300.3412 112.1213 146.9221 559111.5708 6.0813 6.3354 PRESSURE: 1613800 13.4469 -167.156 -146.663 -167.156 32.6427 -64.3687 -146.663 -64.3689 271.529 GPRESSURE: 1613800 54.4053 -160.979 -143.711 -236.113 56.4097 -33.5792 -122.441 -24.9258 315.063 PRESSAVG: 1613800 12.8588 24.2346 -26.9396 24.2346 14.2049 66.8427 -26.9396 66.8425 -3.07243 GPRESSAVG: 1613800 12.8668 23.0911 -30.2726 24.1629 14.8622 68.6731 -22.9437 65.8123 -3.97617 TIMING: 1613800 CPU: 4800.76, 0.00299029/step Wall: 4800.76, 0.00299029/step, 2.8127 hours remaining, 207.222656 MB of memory in use. ENERGY: 1613800 725.8053 2118.6261 1939.1162 99.2056 -206223.7335 18098.0209 0.0000 0.0000 34194.2669 -149048.6925 298.6270 -183242.9594 -148955.5280 300.2766 105.8728 141.9594 558519.0394 7.9971 7.9176 PRESSURE: 1614000 62.7645 -84.9303 -12.4111 -84.929 -39.202 32.5986 -12.4102 32.5984 80.8522 GPRESSURE: 1614000 156.155 -122.92 -28.1458 -48.6271 -4.69141 32.3861 14.6626 -20.2504 44.1536 PRESSAVG: 1614000 -64.1155 -9.88444 -22.3904 -9.88434 21.4158 -41.788 -22.3905 -41.7881 41.5339 GPRESSAVG: 1614000 -63.748 -7.49723 -19.4761 -11.1301 21.5367 -43.891 -24.6603 -41.5815 41.2026 TIMING: 1614000 CPU: 4801.36, 0.0030064/step Wall: 4801.36, 0.0030064/step, 2.82768 hours remaining, 207.222656 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: 1614000 758.5332 2102.0846 1951.1475 129.4838 -206274.2293 17850.8592 0.0000 0.0000 34562.3247 -148919.7964 301.8414 -183482.1210 -148821.3716 300.4714 34.8049 65.2058 557417.6502 -0.3886 -0.3362 PRESSURE: 1614200 -142.751 7.55567 117.953 7.55673 -20.7344 68.886 117.953 68.8854 151.691 GPRESSURE: 1614200 -80.8681 54.6946 84.6879 -84.7397 -53.6475 139.522 132.498 11.8781 227.571 PRESSAVG: 1614200 10.2073 19.8076 22.796 19.8077 -67.018 -4.25967 22.796 -4.2597 26.8375 GPRESSAVG: 1614200 10.6575 18.5729 21.9861 20.5579 -68.058 -4.69775 24.0542 -4.71225 27.076 TIMING: 1614200 CPU: 4801.96, 0.00301392/step Wall: 4801.96, 0.00301392/step, 2.83459 hours remaining, 207.222656 MB of memory in use. ENERGY: 1614200 779.5001 2112.8123 1976.1555 118.9696 -206110.2607 17729.6466 0.0000 0.0000 34239.1288 -149154.0478 299.0188 -183393.1766 -149058.5789 300.3135 -3.9314 31.0183 557353.1970 -9.9911 -10.1081 PRESSURE: 1614400 49.6014 -57.5002 43.6785 -57.4996 -98.7842 -99.7139 43.6777 -99.7145 -66.5104 GPRESSURE: 1614400 57.5036 -7.14752 -26.2091 -93.3686 -27.9344 -99.0225 139.496 -48.6795 -50.069 PRESSAVG: 1614400 -50.4839 11.4782 8.78399 11.4783 112.282 -35.488 8.78405 -35.488 5.39079 GPRESSAVG: 1614400 -52.2528 10.7386 8.83306 12.031 112.956 -35.3891 8.40261 -33.1711 6.96829 TIMING: 1614400 CPU: 4802.56, 0.00299654/step Wall: 4802.56, 0.00299654/step, 2.81808 hours remaining, 207.222656 MB of memory in use. ENERGY: 1614400 771.5046 2100.7631 1956.4527 103.7529 -206446.1382 17903.0740 0.0000 0.0000 34541.5450 -149069.0458 301.6599 -183610.5909 -148966.0909 299.1534 -38.5644 -6.8333 556252.5375 22.3962 22.5572 PRESSURE: 1614600 102.027 42.0529 36.6594 42.052 5.23077 63.0518 36.6595 63.0512 -30.9313 GPRESSURE: 1614600 143.006 141.43 -45.8469 -6.90595 45.4327 116.587 151.073 -7.29625 -18.4909 PRESSAVG: 1614600 -30.0029 -22.7319 18.3532 -22.732 34.1364 -51.4386 18.3532 -51.4386 -11.8087 GPRESSAVG: 1614600 -28.5288 -20.9572 16.3259 -22.8864 33.427 -49.7616 17.6592 -52.1366 -12.4719 TIMING: 1614600 CPU: 4803.16, 0.0030081/step Wall: 4803.16, 0.0030081/step, 2.82878 hours remaining, 207.222656 MB of memory in use. ENERGY: 1614600 761.1542 2118.7270 1942.5705 104.1095 -205955.7732 17726.5635 0.0000 0.0000 34067.3401 -149235.3084 297.5186 -183302.6485 -149141.2837 299.6083 25.4421 56.6492 558079.8549 -2.5584 -2.5245 PRESSURE: 1614800 -176.467 -20.9606 -94.7837 -20.9621 -103.003 42.8336 -94.7844 42.8331 -289.7 GPRESSURE: 1614800 -163.787 -66.3597 -40.4491 52.2025 -15.1585 -67.6415 -96.8186 71.0158 -284.971 PRESSAVG: 1614800 5.5797 -5.36963 -0.840584 -5.36956 52.6261 24.1359 -0.840655 24.1359 -63.3199 GPRESSAVG: 1614800 6.06877 -6.64169 2.23201 -3.71594 53.0734 21.162 -1.95244 24.7518 -63.6037 TIMING: 1614800 CPU: 4803.76, 0.00296946/step Wall: 4803.76, 0.00296946/step, 2.79228 hours remaining, 207.222656 MB of memory in use. ENERGY: 1614800 780.4411 2131.8745 1968.9093 121.0248 -206111.4035 17621.6290 0.0000 0.0000 34149.8748 -149337.6500 298.2394 -183487.5248 -149232.9649 298.8350 -189.7231 -154.6389 558083.0449 -1.7047 -1.4872 PRESSURE: 1615000 -231.141 -52.2494 -124.821 -52.2493 32.6518 45.0519 -124.821 45.0508 -30.9996 GPRESSURE: 1615000 -182.015 -68.1635 -161.975 -44.7907 51.5279 123.671 -39.8187 17.1582 0.695121 PRESSAVG: 1615000 -43.1822 -4.14936 2.51048 -4.14927 63.2203 53.512 2.51042 53.512 16.496 GPRESSAVG: 1615000 -43.4534 -3.25162 0.642042 -5.84188 63.3817 55.4788 2.33134 52.5791 17.2252 TIMING: 1615000 CPU: 4804.35, 0.00295399/step Wall: 4804.35, 0.00295399/step, 2.77757 hours remaining, 207.222656 MB of memory in use. ENERGY: 1615000 767.4632 2049.5374 1962.6406 116.9969 -206463.6693 17967.8774 0.0000 0.0000 34324.5084 -149274.6455 299.7645 -183599.1539 -149170.3407 298.8963 -76.4964 -43.2639 557341.8355 12.1780 12.3845 PRESSURE: 1615200 21.321 -42.811 -41.2623 -42.8109 -90.2806 -38.3492 -41.2625 -38.3517 116.165 GPRESSURE: 1615200 17.578 11.9074 -69.3049 -17.9331 0.50053 -60.2468 86.6527 11.6908 120.908 PRESSAVG: 1615200 40.8506 -17.1052 10.1741 -17.1052 -43.1514 18.2331 10.174 18.2332 -25.8235 GPRESSAVG: 1615200 40.3694 -17.314 9.94453 -16.66 -43.2283 18.5527 12.2237 19.0106 -24.8007 TIMING: 1615200 CPU: 4804.94, 0.00293646/step Wall: 4804.94, 0.00293646/step, 2.76093 hours remaining, 207.222656 MB of memory in use. ENERGY: 1615200 761.5226 2135.6871 1948.2517 114.1845 -206253.6741 17860.5712 0.0000 0.0000 34165.9828 -149267.4743 298.3800 -183433.4571 -149172.9004 299.1589 15.7351 46.3287 557505.9992 -9.3748 -9.2199 PRESSURE: 1615400 47.8929 92.6403 -61.0061 92.6393 181.593 47.1779 -61.0067 47.1768 -73.4119 GPRESSURE: 1615400 88.3862 -2.4446 -126.199 75.1653 201.339 -34.4717 -27.7502 103.51 -47.5771 PRESSAVG: 1615400 -92.7187 44.417 -14.8618 44.4171 112.36 25.9352 -14.8618 25.9352 -33.6824 GPRESSAVG: 1615400 -92.4607 43.0117 -13.7247 43.1675 113.173 27.2684 -14.8586 24.5009 -34.4868 TIMING: 1615400 CPU: 4805.53, 0.00296153/step Wall: 4805.53, 0.00296153/step, 2.78433 hours remaining, 207.222656 MB of memory in use. ENERGY: 1615400 753.8943 2101.9790 1928.2662 105.1652 -206280.2213 17901.2899 0.0000 0.0000 34212.2076 -149277.4190 298.7837 -183489.6266 -149178.0712 298.9060 52.0246 80.7162 556087.1763 -4.6805 -4.5915 PRESSURE: 1615600 13.3577 100.572 131.774 100.572 70.3893 -2.08404 131.775 -2.08598 -74.7708 GPRESSURE: 1615600 79.977 216.222 100.503 47.6066 67.7774 38.8992 157.871 75.2141 -35.8663 PRESSAVG: 1615600 -48.7264 17.9379 29.8726 17.9379 43.4469 44.6212 29.8726 44.6212 -2.29052 GPRESSAVG: 1615600 -48.303 20.1315 31.8923 18.6699 44.7298 44.0021 26.9232 45.8922 -3.24852 TIMING: 1615600 CPU: 4806.13, 0.00300302/step Wall: 4806.13, 0.00300302/step, 2.82317 hours remaining, 207.222656 MB of memory in use. ENERGY: 1615600 737.2549 2121.0336 1946.2159 101.9775 -206036.1521 17778.3633 0.0000 0.0000 34170.5952 -149180.7117 298.4203 -183351.3069 -149082.4027 298.5744 2.9920 37.2960 558386.4379 -2.5233 -2.2739 PRESSURE: 1615800 114.572 56.6341 11.895 56.6349 -127.874 30.1421 11.8935 30.1406 -152.344 GPRESSURE: 1615800 116.556 43.479 51.4538 49.4969 -131.19 -43.942 -39.8286 59.9986 -54.5487 PRESSAVG: 1615800 -39.2923 -19.5078 3.54926 -19.5078 12.3473 -10.6816 3.54915 -10.6816 32.1843 GPRESSAVG: 1615800 -40.4469 -22.4803 0.630213 -19.1152 11.4699 -11.4417 6.01512 -11.1798 34.4104 TIMING: 1615800 CPU: 4806.73, 0.00298844/step Wall: 4806.73, 0.00298844/step, 2.8093 hours remaining, 207.222656 MB of memory in use. ENERGY: 1615800 747.3224 2131.7650 1924.7750 110.2792 -206216.8046 17744.1867 0.0000 0.0000 34321.5044 -149236.9719 299.7382 -183558.4763 -149149.1241 299.2102 -55.2154 -23.0609 557723.6831 1.7465 1.8111 PRESSURE: 1616000 187.743 85.0487 59.153 85.0496 183.864 -17.4571 59.1534 -17.4573 -54.525 GPRESSURE: 1616000 198.134 4.24897 2.53859 213.263 227.857 19.8297 95.9805 -36.2309 -22.857 PRESSAVG: 1616000 -21.3654 -11.9593 -43.4011 -11.9593 -3.00342 -9.96023 -43.4012 -9.96021 14.7848 GPRESSAVG: 1616000 -21.4534 -8.82008 -44.7997 -14.5657 -2.41079 -9.31123 -42.9263 -10.5011 14.4955 TIMING: 1616000 CPU: 4807.32, 0.00298634/step Wall: 4807.32, 0.00298634/step, 2.80716 hours remaining, 207.222656 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: 1616000 729.7348 2118.3437 1949.0738 120.4353 -206640.7646 18001.9550 0.0000 0.0000 34269.4668 -149451.7552 299.2838 -183721.2220 -149354.7898 298.6844 105.6942 134.3778 556431.1380 -3.1947 -3.1229 PRESSURE: 1616200 -97.0492 -71.7983 -141.931 -71.7994 -65.0607 -172.365 -141.932 -172.365 71.5607 GPRESSURE: 1616200 -49.9522 -61.5281 -115.061 -32.7368 -56.1163 -118.686 -141.994 -215.432 110.065 PRESSAVG: 1616200 64.1321 33.0015 -31.793 33.0015 -8.34876 44.7645 -31.793 44.7645 -44.2319 GPRESSAVG: 1616200 64.6464 33.3963 -30.7186 34.6081 -8.67966 44.7746 -32.3152 45.8321 -44.5251 TIMING: 1616200 CPU: 4807.92, 0.00299848/step Wall: 4807.92, 0.00299848/step, 2.8184 hours remaining, 207.222656 MB of memory in use. ENERGY: 1616200 743.9334 2107.7282 1958.3804 103.7206 -206619.6978 18022.0915 0.0000 0.0000 34457.9480 -149225.8957 300.9298 -183683.8437 -149122.8105 299.5218 -30.1830 1.3321 557441.4495 3.8505 3.8139 LDB: ============= START OF LOAD BALANCING ============== 4811.35 LDB: ============== END OF LOAD BALANCING =============== 4811.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4811.36 LDB: ============= START OF LOAD BALANCING ============== 4811.66 LDB: Largest compute 4821 load 0.027655 is 23.4% of average load 0.118062 LDB: Average compute 0.001716 is 1.5% of average load 0.118062 LDB: TIME 4811.66 LOAD: AVG 0.118062 MAX 0.203263 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.051 MB LDB: TIME 4811.66 LOAD: AVG 0.118062 MAX 0.203263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.051 MB LDB: TIME 4811.66 LOAD: AVG 0.118062 MAX 0.203263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4811.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4811.67 PRESSURE: 1616400 104.646 -104.598 54.9308 -104.598 -121.49 -71.4144 54.9309 -71.4145 -81.9976 GPRESSURE: 1616400 176.482 -92.5545 4.21243 -104.881 -69.7398 -17.5024 2.02157 -90.8523 -104.995 PRESSAVG: 1616400 103.537 -9.16779 -9.54192 -9.16777 -30.7435 -24.4899 -9.54194 -24.4899 -59.8458 GPRESSAVG: 1616400 102.589 -11.5396 -10.5754 -7.79031 -29.9345 -24.3367 -9.81991 -26.85 -59.836 TIMING: 1616400 CPU: 4808.54, 0.00307425/step Wall: 4808.54, 0.00307425/step, 2.88946 hours remaining, 207.480469 MB of memory in use. ENERGY: 1616400 724.5482 2134.7440 1955.3498 113.6204 -206169.5965 17810.1324 0.0000 0.0000 34359.2893 -149071.9124 300.0682 -183431.2017 -148972.3577 300.2481 -32.9470 0.5826 557748.0123 4.3160 4.2729 PRESSURE: 1616600 234.433 24.3111 97.1267 24.3115 158.091 -37.8956 97.1262 -37.8967 -278.188 GPRESSURE: 1616600 242.487 51.6669 85.8329 19.0075 165 -114.837 24.4772 71.5578 -205.258 PRESSAVG: 1616600 99.3007 -8.79127 57.3036 -8.79133 -12.928 39.1922 57.3036 39.1921 -71.9112 GPRESSAVG: 1616600 101.056 -7.43789 58.1386 -9.29643 -13.3683 36.7914 58.5486 40.6198 -73.1414 TIMING: 1616600 CPU: 4809.14, 0.00300464/step Wall: 4809.14, 0.00300464/step, 2.82386 hours remaining, 207.550781 MB of memory in use. ENERGY: 1616600 749.3956 2091.4078 1964.2885 110.0892 -206016.1059 17668.4832 0.0000 0.0000 34449.9571 -148982.4845 300.8600 -183432.4416 -148890.9788 300.2355 38.1120 67.4100 557220.7931 4.8205 4.8489 PRESSURE: 1616800 -18.8111 30.9283 25.0612 30.9281 -111.641 -56.3998 25.061 -56.4009 60.2618 GPRESSURE: 1616800 33.2222 1.1114 100.295 23.455 -25.4657 -50.9546 16.9166 -48.7995 13.1722 PRESSAVG: 1616800 34.1848 9.08274 -22.9088 9.08285 41.5871 -16.2112 -22.9088 -16.2111 -19.2171 GPRESSAVG: 1616800 33.1705 10.1947 -24.185 8.45656 41.1808 -13.5853 -23.5571 -15.9678 -17.6218 TIMING: 1616800 CPU: 4809.74, 0.00301568/step Wall: 4809.74, 0.00301568/step, 2.83407 hours remaining, 207.550781 MB of memory in use. ENERGY: 1616800 754.2055 2112.3590 1939.6010 115.3224 -206354.8738 17861.1311 0.0000 0.0000 34422.3219 -149149.9328 300.6187 -183572.2548 -149051.9885 300.0898 -23.3967 6.9762 557911.2426 18.8516 18.9098 PRESSURE: 1617000 -63.359 -70.256 -43.4709 -70.2573 179.044 -148.525 -43.4715 -148.526 168.473 GPRESSURE: 1617000 -75.689 -141.043 -23.7064 -71.1741 200.014 -78.7195 -27.0276 -136.136 250.394 PRESSAVG: 1617000 27.0672 -43.3785 -8.77032 -43.3784 -35.2958 -34.3918 -8.77027 -34.3917 3.97882 GPRESSAVG: 1617000 27.7239 -46.6112 -6.84929 -43.3375 -35.3176 -35.186 -9.62279 -32.9153 3.43111 TIMING: 1617000 CPU: 4810.35, 0.00304813/step Wall: 4810.35, 0.00304813/step, 2.86439 hours remaining, 207.550781 MB of memory in use. ENERGY: 1617000 742.2234 2142.2834 1936.3364 113.7017 -206454.7112 17915.7504 0.0000 0.0000 34435.2435 -149169.1723 300.7315 -183604.4158 -149074.0394 299.5853 94.7195 124.9064 558767.5442 -1.4166 -1.3875 PRESSURE: 1617200 -254.847 -15.6048 -138.171 -15.605 -22.3682 43.8214 -138.172 43.8208 26.6527 GPRESSURE: 1617200 -167.586 -47.8831 -67.3276 -2.33249 -65.3709 -10.8517 -100.455 49.3299 68.6954 PRESSAVG: 1617200 1.14213 -66.0813 -0.0689612 -66.0813 -36.0928 10.8308 -0.0689864 10.8309 30.872 GPRESSAVG: 1617200 1.76976 -64.48 -0.679103 -65.5436 -36.793 10.7356 0.782683 9.23667 30.6688 TIMING: 1617200 CPU: 4810.96, 0.00301896/step Wall: 4810.96, 0.00301896/step, 2.83682 hours remaining, 207.550781 MB of memory in use. ENERGY: 1617200 760.9932 2094.5711 1937.8767 102.6726 -206088.1342 17709.9212 0.0000 0.0000 34490.0215 -148992.0778 301.2099 -183482.0994 -148898.4050 299.9719 -83.5209 -54.7537 558966.1729 -1.3596 -1.4515 PRESSURE: 1617400 -417.027 -28.9564 101.287 -28.9563 -316.268 50.069 101.287 50.0691 -272.943 GPRESSURE: 1617400 -343.953 120.807 76.4023 -73.3737 -275.545 4.28404 115.347 153.575 -294.556 PRESSAVG: 1617400 -34.2136 3.72708 61.1839 3.72707 -13.8533 -23.4934 61.1839 -23.4933 66.6248 GPRESSAVG: 1617400 -34.3294 5.1881 60.2467 2.08665 -12.7052 -22.6999 61.5516 -22.9664 65.5348 TIMING: 1617400 CPU: 4811.56, 0.00301661/step Wall: 4811.56, 0.00301661/step, 2.83444 hours remaining, 207.550781 MB of memory in use. ENERGY: 1617400 755.0295 2098.2266 1941.8917 114.6189 -205451.2261 17312.6459 0.0000 0.0000 34344.1002 -148884.7132 299.9356 -183228.8134 -148780.5701 300.3478 -335.4126 -304.6846 560361.0066 6.1860 6.1667 PRESSURE: 1617600 -57.5437 92.189 -79.9832 92.1884 129.498 -62.596 -79.9838 -62.5954 -126.79 GPRESSURE: 1617600 -8.05597 121.048 -1.2573 34.3979 130.633 -137.381 -141.907 -61.9987 -89.6549 PRESSAVG: 1617600 5.05224 -99.7857 7.62278 -99.7857 36.217 -1.07976 7.62278 -1.07977 -71.4354 GPRESSAVG: 1617600 4.82749 -99.7287 7.57315 -99.7416 35.7118 -2.22015 6.44923 -0.00692524 -70.8687 TIMING: 1617600 CPU: 4812.16, 0.00298515/step Wall: 4812.16, 0.00298515/step, 2.80472 hours remaining, 207.550781 MB of memory in use. ENERGY: 1617600 747.8182 2051.4551 1939.6744 118.1181 -205793.5394 17860.4032 0.0000 0.0000 34323.0461 -148753.0242 299.7517 -183076.0703 -148660.0405 300.0293 -18.2783 10.9740 560579.5286 -10.0554 -10.1098 PRESSURE: 1617800 -92.6253 58.1155 76.7647 58.118 -106.228 46.1837 76.765 46.1849 -44.1382 GPRESSURE: 1617800 -111.875 54.5564 112.856 93.6773 -71.404 -20.0408 66.1669 56.5629 40.1283 PRESSAVG: 1617800 58.921 -11.4677 -5.21782 -11.4677 -46.4248 38.7273 -5.21778 38.7272 -36.0379 GPRESSAVG: 1617800 58.0606 -12.508 -4.55537 -10.1583 -45.5271 37.999 -4.58441 39.5794 -36.1871 TIMING: 1617800 CPU: 4812.75, 0.0029783/step Wall: 4812.75, 0.0029783/step, 2.79811 hours remaining, 207.550781 MB of memory in use. ENERGY: 1617800 758.4601 2070.9202 1951.9650 125.3650 -205737.8647 17566.3657 0.0000 0.0000 34633.4851 -148631.3037 302.4628 -183264.7888 -148536.1290 300.6117 -80.9972 -47.7170 558648.4116 -7.8472 -7.8846 PRESSURE: 1618000 38.6176 -90.5627 101.851 -90.5619 217.338 -19.1908 101.852 -19.1912 57.4015 GPRESSURE: 1618000 58.1378 -37.2479 42.4043 -2.00549 210.171 -191.45 108.053 -16.4652 145.028 PRESSAVG: 1618000 29.7589 -17.2482 30.3727 -17.2482 -36.9078 -4.71408 30.3728 -4.71413 30.8627 GPRESSAVG: 1618000 30.3703 -16.2402 30.0595 -17.5002 -37.9572 -3.7268 30.3241 -7.35174 30.5956 TIMING: 1618000 CPU: 4813.35, 0.00297354/step Wall: 4813.35, 0.00297354/step, 2.79347 hours remaining, 207.550781 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: 1618000 738.8464 2092.1271 1940.9589 104.9571 -205596.0217 17797.6667 0.0000 0.0000 34251.6054 -148669.8601 299.1278 -182921.4655 -148573.9711 300.8687 104.4525 137.7790 558330.4179 7.9046 7.6696 PRESSURE: 1618200 -27.4551 -119.229 48.518 -119.229 -56.2787 -75.1522 48.5182 -75.1518 146.31 GPRESSURE: 1618200 19.675 -202.737 79.2363 -131.12 -29.9096 -69.6101 24.9998 -100.218 167.199 PRESSAVG: 1618200 34.7222 -28.09 62.1832 -28.09 -25.0175 -14.5681 62.1833 -14.568 -7.92517 GPRESSAVG: 1618200 35.5315 -29.1087 62.4544 -27.8367 -26.2656 -15.9191 61.1702 -14.3145 -7.29831 TIMING: 1618200 CPU: 4813.94, 0.00295915/step Wall: 4813.94, 0.00295915/step, 2.77979 hours remaining, 207.550781 MB of memory in use. ENERGY: 1618200 759.8708 2135.6582 1931.8080 107.9520 -205660.7535 17794.1334 0.0000 0.0000 34230.0176 -148701.3134 298.9393 -182931.3310 -148606.0558 300.5993 20.8587 52.3214 558739.5166 0.5932 0.6559 PRESSURE: 1618400 -302.133 123.3 -114.231 123.302 -74.7036 -85.0104 -114.232 -85.009 -75.2721 GPRESSURE: 1618400 -289.394 98.8606 -0.518565 35.2303 8.00846 -103.546 -229.932 -58.3855 -67.3464 PRESSAVG: 1618400 -43.7479 8.50097 -10.3492 8.50091 18.4377 -29.2001 -10.3492 -29.2001 70.3439 GPRESSAVG: 1618400 -44.8161 9.58659 -11.8722 7.56553 19.4578 -26.7867 -7.85796 -30.0912 70.1285 TIMING: 1618400 CPU: 4814.53, 0.00296349/step Wall: 4814.53, 0.00296349/step, 2.78371 hours remaining, 207.550781 MB of memory in use. ENERGY: 1618400 774.5822 2084.8764 1968.9666 109.4780 -205775.7965 17645.3009 0.0000 0.0000 34445.4865 -148747.1060 300.8210 -183192.5924 -148654.2129 300.5811 -150.7029 -116.2440 559894.9547 15.0113 14.9234 PRESSURE: 1618600 190.852 -7.10119 171.105 -7.10038 -68.7156 4.39541 171.103 4.39654 184.566 GPRESSURE: 1618600 177.022 25.4923 147.907 -10.1778 -34.7184 -6.37656 126.049 -45.1209 260.592 PRESSAVG: 1618600 -24.4207 29.046 -44.7562 29.046 1.24204 13.3919 -44.7563 13.3919 17.3325 GPRESSAVG: 1618600 -23.6198 26.8646 -45.0277 30.2119 1.55209 13.1724 -45.3285 13.7721 16.7234 TIMING: 1618600 CPU: 4815.13, 0.0029841/step Wall: 4815.13, 0.0029841/step, 2.8029 hours remaining, 207.550781 MB of memory in use. ENERGY: 1618600 699.7452 2202.6708 1943.6660 128.2135 -205580.7937 17767.1296 0.0000 0.0000 34231.2527 -148608.1159 298.9500 -182839.3686 -148514.1816 301.0045 102.2342 134.2986 557533.5086 -1.9487 -1.7814 PRESSURE: 1618800 178.126 -68.6718 85.1592 -68.6709 133.742 86.6166 85.1603 86.6174 -109.105 GPRESSURE: 1618800 194.747 -70.6174 79.1321 -17.2289 160.678 142.285 130.654 66.4526 -58.4083 PRESSAVG: 1618800 6.48855 -28.0591 0.331902 -28.0591 -14.4208 22.6912 0.331752 22.6912 -28.172 GPRESSAVG: 1618800 5.09648 -26.6044 2.07436 -29.2273 -14.2284 21.5824 -2.28432 24.2992 -26.6916 TIMING: 1618800 CPU: 4815.73, 0.00301147/step Wall: 4815.73, 0.00301147/step, 2.82844 hours remaining, 207.550781 MB of memory in use. ENERGY: 1618800 742.4255 2092.0589 1938.0284 99.1477 -205934.3579 17894.4193 0.0000 0.0000 34561.4823 -148606.7958 301.8340 -183168.2780 -148515.8955 300.7722 67.5878 99.0056 558022.7379 -12.0347 -11.9412 PRESSURE: 1619000 -119.226 2.06324 269.068 2.06297 57.3099 45.7547 269.068 45.7547 194.405 GPRESSURE: 1619000 -83.1558 26.4258 203.94 -42.4065 78.7515 -20.3796 242.363 76.3866 239.277 PRESSAVG: 1619000 -7.21682 -5.2755 27.3519 -5.27547 60.3878 5.27479 27.3519 5.2747 -23.0363 GPRESSAVG: 1619000 -6.93088 -4.78621 27.49 -6.00523 61.1977 6.08082 27.6704 4.5978 -24.0385 TIMING: 1619000 CPU: 4816.33, 0.00298771/step Wall: 4816.33, 0.00298771/step, 2.80595 hours remaining, 207.550781 MB of memory in use. ENERGY: 1619000 768.1551 2009.6906 1964.7363 108.8320 -206000.1997 17971.3386 0.0000 0.0000 34310.8298 -148866.6173 299.6450 -183177.4471 -148767.7928 300.2891 44.1630 78.2909 557836.5724 10.0449 10.0761 PRESSURE: 1619200 89.2223 -61.8232 -85.4395 -61.8215 -125.963 -84.4907 -85.4397 -84.4898 99.2788 GPRESSURE: 1619200 165.093 -121.966 -74.0493 2.87619 -126.796 -75.2491 25.0382 -60.1546 118.89 PRESSAVG: 1619200 17.8171 -8.9614 -0.580577 -8.96142 61.0265 -9.67129 -0.580588 -9.67123 -10.0233 GPRESSAVG: 1619200 19.188 -8.99546 -1.49062 -8.03374 60.7379 -9.56357 1.53915 -7.62152 -11.3577 TIMING: 1619200 CPU: 4816.92, 0.00297497/step Wall: 4816.92, 0.00297497/step, 2.79382 hours remaining, 207.550781 MB of memory in use. ENERGY: 1619200 734.0912 2073.0824 1972.0952 115.7226 -205943.2311 17788.8295 0.0000 0.0000 34389.5686 -148869.8416 300.3327 -183259.4101 -148762.6535 300.3754 20.8460 52.3959 558324.1301 22.9401 22.8560 PRESSURE: 1619400 114.691 198.61 -69.7768 198.609 101.492 3.96698 -69.7766 3.96789 26.586 GPRESSURE: 1619400 130.065 221.157 -38.4438 170.901 160.929 -86.9496 -16.5187 19.4434 52.5161 PRESSAVG: 1619400 14.5507 -1.60807 29.1315 -1.60807 -31.607 -22.1311 29.1315 -22.1312 -28.3914 GPRESSAVG: 1619400 12.7483 -0.0827659 30.1619 -3.38036 -31.5003 -24.4217 27.8367 -22.1799 -26.5278 TIMING: 1619400 CPU: 4817.52, 0.00300969/step Wall: 4817.52, 0.00300969/step, 2.82627 hours remaining, 207.550781 MB of memory in use. ENERGY: 1619400 698.1030 2059.1783 1961.4750 121.3133 -206002.3784 17819.6444 0.0000 0.0000 34349.4639 -148993.2005 299.9824 -183342.6645 -148898.2381 300.0229 80.9229 114.5032 558049.6267 -15.1492 -15.0933 PRESSURE: 1619600 136.712 -79.0584 -162.009 -79.0571 -32.5524 -100.679 -162.008 -100.679 0.931196 GPRESSURE: 1619600 182.542 -49.2773 -166.871 -90.655 46.3611 -67.9584 -121.679 -162.418 -28.7833 PRESSAVG: 1619600 10.2112 -3.27865 18.4578 -3.27877 28.4039 -29.6957 18.4579 -29.6958 -34.0289 GPRESSAVG: 1619600 10.2081 -7.20924 17.1686 -0.918375 28.8535 -29.436 17.3791 -31.2838 -34.6236 TIMING: 1619600 CPU: 4818.13, 0.00300119/step Wall: 4818.13, 0.00300119/step, 2.81812 hours remaining, 207.550781 MB of memory in use. ENERGY: 1619600 762.2007 2094.0992 1935.5626 109.7476 -206275.3898 17941.3989 0.0000 0.0000 34367.6655 -149064.7153 300.1414 -183432.3808 -148961.6697 299.4022 35.0301 66.7067 557601.7539 1.5288 1.4793 PRESSURE: 1619800 -150.894 267.334 -170.955 267.334 -140.123 41.6591 -170.955 41.6599 -253.84 GPRESSURE: 1619800 -51.6026 363.243 -126.087 204.015 -174.605 -27.4753 -221.503 117.73 -225.105 PRESSAVG: 1619800 51.5827 2.73123 -9.62237 2.73115 -3.85761 -40.3464 -9.62233 -40.3464 -13.0914 GPRESSAVG: 1619800 52.2364 4.07736 -8.80298 1.87223 -5.73216 -38.4804 -9.43271 -41.6393 -12.4992 TIMING: 1619800 CPU: 4818.72, 0.00298197/step Wall: 4818.72, 0.00298197/step, 2.79991 hours remaining, 207.550781 MB of memory in use. ENERGY: 1619800 759.6659 2058.1043 1966.8485 118.6231 -206159.4377 17749.8303 0.0000 0.0000 34349.1505 -149157.2152 299.9797 -183506.3657 -149058.1341 299.8318 -181.6189 -150.4377 558827.6176 11.5446 11.3350 PRESSURE: 1620000 -174.944 165.874 115.878 165.875 -133.598 88.0275 115.878 88.0284 -35.3582 GPRESSURE: 1620000 -128.362 162.058 65.7353 202.69 -102.373 80.0949 141.048 80.7278 -33.1133 PRESSAVG: 1620000 66.8406 28.6625 12.5431 28.6625 -20.522 25.3761 12.5432 25.3759 -45.0928 GPRESSAVG: 1620000 66.6667 28.062 11.8624 28.2014 -18.8776 23.9779 13.7791 27.3155 -46.2088 TIMING: 1620000 CPU: 4819.31, 0.0029576/step Wall: 4819.31, 0.0029576/step, 2.77686 hours remaining, 207.550781 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: 1620000 727.5336 2090.7397 1942.8298 119.3100 -205815.3574 17568.6521 0.0000 0.0000 34200.5643 -149165.7278 298.6820 -183366.2921 -149067.1198 299.5164 -114.6333 -87.9495 558928.4556 0.4086 0.5268 PRESSURE: 1620200 -266.955 -90.5378 -160.351 -90.5388 357.047 13.9416 -160.351 13.9416 -127.046 GPRESSURE: 1620200 -230.771 10.9127 -163.539 -197.06 406.733 54.6514 -171.753 29.4074 -112.979 PRESSAVG: 1620200 27.97 -3.70341 29.8947 -3.70342 82.3513 -25.3332 29.8948 -25.3333 -64.3574 GPRESSAVG: 1620200 29.2017 -1.62621 30.7168 -4.97646 80.6799 -23.0548 29.9466 -26.6197 -64.2939 TIMING: 1620200 CPU: 4819.91, 0.00300366/step Wall: 4819.91, 0.00300366/step, 2.81994 hours remaining, 207.550781 MB of memory in use. ENERGY: 1620200 762.4774 2087.1700 1948.4975 122.6887 -205967.4248 17793.0599 0.0000 0.0000 34290.2470 -148963.2842 299.4653 -183253.5312 -148864.8029 299.0813 -12.3180 20.9944 558733.2942 15.3213 15.1959 LDB: ============= START OF LOAD BALANCING ============== 4823.35 LDB: ============== END OF LOAD BALANCING =============== 4823.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4823.35 LDB: ============= START OF LOAD BALANCING ============== 4823.65 LDB: Largest compute 4821 load 0.027359 is 23.2% of average load 0.118047 LDB: Average compute 0.001716 is 1.5% of average load 0.118047 LDB: TIME 4823.65 LOAD: AVG 0.118047 MAX 0.200467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.066 MB LDB: TIME 4823.65 LOAD: AVG 0.118047 MAX 0.200467 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: TIME 4823.65 LOAD: AVG 0.118047 MAX 0.200467 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: ============== END OF LOAD BALANCING =============== 4823.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4823.66 PRESSURE: 1620400 -167.574 59.1919 -25.7158 59.1932 -184.35 163.965 -25.7147 163.965 -12.8411 GPRESSURE: 1620400 -116.144 64.5374 -54.3827 29.5094 -142.949 62.8183 -30.8652 215.952 -4.4658 PRESSAVG: 1620400 -79.2664 0.108849 11.0778 0.108958 23.9767 -1.91824 11.0778 -1.91807 -4.02081 GPRESSAVG: 1620400 -80.4522 -1.68375 10.7402 0.932731 25.4839 -3.44071 11.3392 -2.25749 -4.49573 TIMING: 1620400 CPU: 4820.53, 0.00306572/step Wall: 4820.53, 0.00306571/step, 2.87802 hours remaining, 206.773438 MB of memory in use. ENERGY: 1620400 782.4792 2047.1435 1924.7193 115.9775 -205942.8527 17690.3564 0.0000 0.0000 34102.6404 -149279.5364 297.8268 -183382.1768 -149181.6843 299.1256 -121.5882 -87.8527 558550.7699 -19.7702 -19.8214 PRESSURE: 1620600 -276.244 -7.0276 -34.3066 -7.02906 -121.767 80.3162 -34.3073 80.3161 -277.266 GPRESSURE: 1620600 -180.573 -14.5207 -57.8057 -24.041 -146.665 94.7247 29.249 0.71025 -262.246 PRESSAVG: 1620600 9.46582 47.9548 -33.585 47.9547 61.6584 4.79017 -33.5851 4.79017 -40.1799 GPRESSAVG: 1620600 9.57527 47.7519 -32.2733 49.6883 62.0923 4.84906 -34.9504 5.29188 -40.4821 TIMING: 1620600 CPU: 4821.13, 0.00299235/step Wall: 4821.13, 0.00299235/step, 2.80898 hours remaining, 206.843750 MB of memory in use. ENERGY: 1620600 722.1687 2045.8538 1938.6834 118.1331 -205576.8690 17480.6766 0.0000 0.0000 34161.6518 -149109.7016 298.3422 -183271.3534 -149013.6594 298.6076 -225.0921 -196.4947 560298.8629 10.3148 10.3952 PRESSURE: 1620800 209.126 -19.6522 -183.428 -19.6502 36.3516 -27.2724 -183.428 -27.2727 -170.335 GPRESSURE: 1620800 253.759 -3.89524 -166.933 -6.7863 65.3354 45.2152 -159.692 -135.328 -133.905 PRESSAVG: 1620800 48.6658 -13.23 -35.9771 -13.2301 -25.5293 -6.23799 -35.9772 -6.23804 -1.97006 GPRESSAVG: 1620800 50.0185 -12.768 -37.2956 -14.8012 -26.8437 -5.87665 -34.5404 -7.42787 -1.12068 TIMING: 1620800 CPU: 4821.73, 0.00300489/step Wall: 4821.73, 0.00300489/step, 2.82059 hours remaining, 206.843750 MB of memory in use. ENERGY: 1620800 755.4663 2070.9338 1952.8721 131.0664 -206424.0047 18112.3020 0.0000 0.0000 34403.8727 -148997.4914 300.4576 -183401.3641 -148896.1139 299.1739 25.0476 61.7298 559280.3713 7.0555 7.3514 PRESSURE: 1621000 -143.173 75.2669 -26.1428 75.2677 206.849 -117.298 -26.1418 -117.3 132.599 GPRESSURE: 1621000 -123.8 12.8439 -77.6552 142.86 258.387 -114.964 -12.3424 -81.1468 154.588 PRESSAVG: 1621000 7.46312 -61.7497 37.6242 -61.7497 -20.1671 27.282 37.6243 27.282 -14.8532 GPRESSAVG: 1621000 7.02905 -63.7488 38.4063 -59.2641 -19.9629 28.2506 37.6261 28.5175 -14.7048 TIMING: 1621000 CPU: 4822.33, 0.00299531/step Wall: 4822.33, 0.00299531/step, 2.81143 hours remaining, 206.843750 MB of memory in use. ENERGY: 1621000 723.5618 2095.5332 1936.5278 108.6304 -206299.0378 17977.5903 0.0000 0.0000 34319.5427 -149137.6517 299.7211 -183457.1944 -149043.3321 299.8725 65.4250 96.3915 557828.7696 -9.1857 -9.2129 PRESSURE: 1621200 202.973 99.7361 131.917 99.7352 104.587 -30.0532 131.916 -30.0531 -1.03406 GPRESSURE: 1621200 192.096 115.44 79.7005 92.671 134.062 -88.244 155.521 -48.6886 66.9231 PRESSAVG: 1621200 -40.9838 8.48053 -5.92295 8.48047 18.2948 -23.9021 -5.92303 -23.9021 39.6972 GPRESSAVG: 1621200 -42.5812 9.09764 -6.00257 7.53531 19.2798 -25.4445 -9.43595 -24.0935 39.9575 TIMING: 1621200 CPU: 4822.92, 0.00298135/step Wall: 4822.92, 0.00298135/step, 2.79816 hours remaining, 206.843750 MB of memory in use. ENERGY: 1621200 730.3055 2024.7794 1975.5479 111.9918 -206423.7597 17985.0758 0.0000 0.0000 34534.1602 -149061.8990 301.5954 -183596.0592 -148966.5102 300.0552 102.1752 131.0268 556729.0684 5.6694 5.5521 PRESSURE: 1621400 211.723 -86.3148 -1.34907 -86.3157 -175.462 -15.8036 -1.34993 -15.805 81.9353 GPRESSURE: 1621400 231.663 -53.335 -17.2137 -82.0378 -128.001 -95.3384 48.2755 -1.30702 110.579 PRESSAVG: 1621400 57.789 45.8206 48.3982 45.8204 -64.8856 -37.6208 48.3982 -37.6209 46.0777 GPRESSAVG: 1621400 57.5515 45.3246 49.4622 49.271 -65.071 -38.1888 51.7066 -36.9805 45.9824 TIMING: 1621400 CPU: 4823.52, 0.00299743/step Wall: 4823.52, 0.00299743/step, 2.81309 hours remaining, 206.843750 MB of memory in use. ENERGY: 1621400 746.0246 2093.6586 1921.6940 126.5805 -206277.1629 17965.6803 0.0000 0.0000 34316.8110 -149106.7139 299.6972 -183423.5249 -149013.2083 299.8389 39.3990 71.4138 556451.4264 12.9937 12.8210 PRESSURE: 1621600 -313.385 -58.5737 36.0042 -58.5747 -174.667 26.056 36.003 26.0532 -13.4833 GPRESSURE: 1621600 -314.362 -19.8719 81.6774 -86.7705 -164.019 20.5597 2.54986 46.5543 64.5754 PRESSAVG: 1621600 1.14038 -12.0044 18.3074 -12.0044 -26.234 -58.8177 18.3074 -58.8176 20.6766 GPRESSAVG: 1621600 1.1741 -9.81335 16.5162 -13.5704 -26.1274 -58.6346 16.5324 -58.6254 20.745 TIMING: 1621600 CPU: 4824.12, 0.0029806/step Wall: 4824.12, 0.0029806/step, 2.79713 hours remaining, 206.843750 MB of memory in use. ENERGY: 1621600 755.3323 2070.0743 1956.8311 125.5482 -205666.8286 17451.5593 0.0000 0.0000 34148.4284 -149159.0550 298.2267 -183307.4833 -149062.6561 298.5997 -167.1786 -137.9351 558488.3179 -1.4723 -1.4028 PRESSURE: 1621800 -5.51324 -62.2982 103.236 -62.298 202.578 11.8925 103.237 11.8941 -200.482 GPRESSURE: 1621800 -11.9576 1.29628 64.075 -86.9462 237.936 -37.1852 143.7 11.8654 -127.792 PRESSAVG: 1621800 -45.7983 -27.6052 37.6046 -27.6052 34.0018 4.79993 37.6046 4.7999 2.73365 GPRESSAVG: 1621800 -44.7241 -27.571 37.086 -28.9643 33.9513 4.73507 36.7734 2.92698 2.74529 TIMING: 1621800 CPU: 4824.71, 0.00296979/step Wall: 4824.71, 0.00296979/step, 2.78682 hours remaining, 206.843750 MB of memory in use. ENERGY: 1621800 748.6836 2099.7089 1959.0667 101.0575 -205890.3175 17767.0177 0.0000 0.0000 34249.9896 -148964.7935 299.1137 -183214.7830 -148869.1289 299.9102 -1.1389 32.7287 557728.4905 -3.0209 -2.6758 PRESSURE: 1622000 -18.5152 -38.1492 75.421 -38.1497 86.957 73.2682 75.4216 73.2685 -129.393 GPRESSURE: 1622000 32.0109 -21.6399 118.392 -92.1869 55.6419 119.549 68.6706 -1.55358 -55.6033 PRESSAVG: 1622000 -61.6578 39.3994 50.9497 39.3993 4.67309 -4.98112 50.9496 -4.98103 46.2766 GPRESSAVG: 1622000 -61.9595 36.3746 51.2608 40.7884 4.30224 -2.20509 52.096 -7.96104 47.3044 TIMING: 1622000 CPU: 4825.3, 0.00296878/step Wall: 4825.3, 0.00296878/step, 2.78571 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: 1622000 744.5283 2038.9657 1947.3860 111.7074 -206260.1331 18067.2774 0.0000 0.0000 34199.7410 -149150.5273 298.6748 -183350.2683 -149047.8298 299.9877 -20.3171 10.6832 559724.8652 -3.5694 -3.4509 PRESSURE: 1622200 -255.413 121.514 -155.392 121.513 -71.106 4.10657 -155.391 4.10674 -1.98872 GPRESSURE: 1622200 -197.063 63.9464 -122.851 140.999 -94.8152 -64.5586 -178.424 50.4155 63.2262 PRESSAVG: 1622200 38.5812 30.5757 10.2407 30.5756 3.72914 -11.195 10.2406 -11.1949 -51.8718 GPRESSAVG: 1622200 39.5665 31.5645 11.3536 31.3953 3.93639 -13.7526 11.6109 -7.14679 -52.6237 TIMING: 1622200 CPU: 4825.9, 0.00299776/step Wall: 4825.9, 0.00299776/step, 2.81273 hours remaining, 206.843750 MB of memory in use. ENERGY: 1622200 778.1547 2073.2267 1950.3989 120.2543 -206075.7952 17844.7723 0.0000 0.0000 34259.1155 -149049.8727 299.1934 -183308.9882 -148958.7121 299.5431 -109.5028 -76.2174 558356.3801 -3.1872 -3.0403 PRESSURE: 1622400 -72.0632 -134.287 27.4481 -134.286 -158.344 -1.21985 27.4482 -1.22071 -175.374 GPRESSURE: 1622400 -62.3291 -200.702 -9.33012 -137.21 -109.57 10.642 81.5851 -111.93 -140.634 PRESSAVG: 1622400 -10.6312 35.0269 -27.7209 35.0268 32.6052 -40.4124 -27.7208 -40.4123 -3.4972 GPRESSAVG: 1622400 -10.903 35.529 -29.6898 31.3241 33.9205 -40.7426 -27.7051 -40.9567 -4.68302 TIMING: 1622400 CPU: 4826.5, 0.0029972/step Wall: 4826.5, 0.0029972/step, 2.81204 hours remaining, 206.843750 MB of memory in use. ENERGY: 1622400 722.7957 2059.0304 1955.3673 111.5964 -206020.1133 17773.3846 0.0000 0.0000 34318.3424 -149079.5964 299.7106 -183397.9388 -148983.5048 299.5214 -135.2604 -104.1776 559221.2397 6.1589 6.1115 PRESSURE: 1622600 -8.40165 -13.8798 44.3044 -13.8791 53.803 230.375 44.3041 230.373 15.9077 GPRESSURE: 1622600 32.5171 31.803 125.924 0.0637927 133.434 309.127 20.5072 124.093 4.98137 PRESSAVG: 1622600 -59.2782 12.148 -4.73856 12.148 5.66807 -24.8807 -4.73861 -24.8806 63.8159 GPRESSAVG: 1622600 -58.6709 12.7013 -3.18165 13.1747 3.58857 -24.024 -4.77192 -24.9952 64.8275 TIMING: 1622600 CPU: 4827.1, 0.00298727/step Wall: 4827.1, 0.00298727/step, 2.80256 hours remaining, 206.843750 MB of memory in use. ENERGY: 1622600 730.3966 2046.8238 1967.9129 113.4829 -206269.5591 17924.0711 0.0000 0.0000 34366.6794 -149120.1922 300.1328 -183486.8717 -149021.7589 299.7093 20.4363 56.9776 558765.3135 3.4019 3.2484 PRESSURE: 1622800 -94.7785 -29.6654 153.055 -29.6653 -9.72595 37.3353 153.054 37.3362 151.991 GPRESSURE: 1622800 -33.8628 -9.6233 137.839 -74.4523 24.1607 40.7592 186.724 13.5606 142.326 PRESSAVG: 1622800 -46.9192 40.385 -34.0851 40.385 10.0061 22.0929 -34.0852 22.0928 63.0804 GPRESSAVG: 1622800 -47.6667 40.8743 -35.6903 40.0117 10.687 22.3204 -34.1896 21.1304 62.9914 TIMING: 1622800 CPU: 4827.7, 0.0029979/step Wall: 4827.7, 0.0029979/step, 2.81237 hours remaining, 206.964844 MB of memory in use. ENERGY: 1622800 736.1400 2107.0716 1960.6115 109.1406 -206215.6653 17848.1567 0.0000 0.0000 34253.8200 -149200.7249 299.1471 -183454.5449 -149102.4555 299.0605 15.8288 44.2079 559371.5675 8.7224 8.6705 PRESSURE: 1623000 -242.76 -62.2299 -121.154 -62.2299 -55.5737 55.7102 -121.154 55.7097 -12.5838 GPRESSURE: 1623000 -182.318 67.3545 -123.021 -96.9646 -57.5178 -23.9656 -63.1042 33.9396 22.0787 PRESSAVG: 1623000 -12.1182 -15.8444 -7.71523 -15.8443 4.66654 -77.5438 -7.71515 -77.5438 55.7136 GPRESSAVG: 1623000 -12.5829 -15.1119 -6.74751 -16.2012 4.54229 -80.3093 -7.25351 -76.3242 55.6399 TIMING: 1623000 CPU: 4828.31, 0.00302459/step Wall: 4828.31, 0.00302459/step, 2.83723 hours remaining, 206.964844 MB of memory in use. ENERGY: 1623000 760.5572 2115.3558 1940.5711 117.8279 -206059.7380 17678.5452 0.0000 0.0000 34126.4071 -149320.4738 298.0344 -183446.8809 -149233.5279 299.5587 -103.6390 -72.5857 557235.4340 16.0873 15.8665 PRESSURE: 1623200 320.038 68.7143 56.1076 68.7153 192.083 -11.8177 56.107 -11.8177 -106.81 GPRESSURE: 1623200 288.986 134.615 132.277 4.71411 237.055 -8.28814 139.977 -129.771 -24.6269 PRESSAVG: 1623200 14.6648 57.9243 -17.8167 57.9243 53.1183 44.6327 -17.8166 44.6328 -57.3379 GPRESSAVG: 1623200 14.6769 55.3309 -16.1579 58.7051 53.3074 47.17 -17.637 42.4213 -57.6059 TIMING: 1623200 CPU: 4828.91, 0.00300717/step Wall: 4828.91, 0.00300717/step, 2.82072 hours remaining, 206.964844 MB of memory in use. ENERGY: 1623200 720.2458 2084.5865 1937.1327 112.1224 -206617.1553 18218.4903 0.0000 0.0000 34171.6854 -149372.8922 298.4298 -183544.5776 -149274.3405 298.9287 135.1036 167.1381 559352.7899 3.4818 3.4595 PRESSURE: 1623400 40.2174 49.6625 45.0305 49.6615 67.9726 -26.9511 45.0295 -26.9503 111.384 GPRESSURE: 1623400 74.4841 88.6669 45.4064 48.0855 177.413 -57.7515 83.7136 -111.638 67.3339 PRESSAVG: 1623400 -46.1255 48.484 51.532 48.484 24.8367 -85.7537 51.532 -85.7536 0.693899 GPRESSAVG: 1623400 -45.355 51.326 50.9112 46.3056 24.1076 -86.7362 49.6203 -83.8419 0.097408 TIMING: 1623400 CPU: 4829.51, 0.00300721/step Wall: 4829.51, 0.00300721/step, 2.8206 hours remaining, 206.964844 MB of memory in use. ENERGY: 1623400 740.3092 2099.6509 1933.6560 123.6509 -206004.8327 17895.8689 0.0000 0.0000 34020.9347 -149190.7621 297.1133 -183211.6967 -149095.2521 299.0119 73.1913 106.4104 558677.8901 -6.8649 -7.0500 PRESSURE: 1623600 -108.005 -60.1222 -207.614 -60.1225 -245.881 212.221 -207.614 212.221 -12.2391 GPRESSURE: 1623600 -88.1721 -28.8692 -153.714 -62.4472 -184.711 129.749 -208.355 227.725 21.5086 PRESSAVG: 1623600 -10.8109 11.8172 -17.5781 11.817 31.6794 13.9461 -17.578 13.9462 -57.1222 GPRESSAVG: 1623600 -10.1434 10.2323 -17.8836 13.8425 30.3914 13.8111 -16.5091 12.735 -55.97 TIMING: 1623600 CPU: 4830.1, 0.00297677/step Wall: 4830.1, 0.00297677/step, 2.79188 hours remaining, 206.964844 MB of memory in use. ENERGY: 1623600 724.8572 2109.2752 1947.9717 121.9349 -205919.5191 17627.6900 0.0000 0.0000 34169.5264 -149218.2637 298.4110 -183387.7901 -149124.5919 298.5272 -122.0420 -83.7916 558015.1965 -12.0846 -11.9073 PRESSURE: 1623800 -74.9974 -88.5083 -78.7755 -88.5088 -170.403 19.7133 -78.7771 19.7135 247.288 GPRESSURE: 1623800 -47.2438 -184.952 -22.6501 -76.5874 -112.105 13.4142 -109.143 -21.8927 254.746 PRESSAVG: 1623800 -22.801 -3.83944 7.30544 -3.83942 12.803 14.8085 7.30536 14.8085 -18.8723 GPRESSAVG: 1623800 -24.0547 -4.97983 7.95716 -3.28738 13.8503 15.8364 7.62115 15.6419 -18.3906 TIMING: 1623800 CPU: 4830.7, 0.00298885/step Wall: 4830.7, 0.00298885/step, 2.80305 hours remaining, 206.964844 MB of memory in use. ENERGY: 1623800 706.6433 2028.7157 1922.4308 105.8503 -206088.7849 17832.9834 0.0000 0.0000 33952.9287 -149539.2327 296.5194 -183492.1614 -149443.3652 298.7458 0.6292 31.7991 557080.5446 -9.6234 -9.5317 PRESSURE: 1624000 152.077 -50.4786 -28.1273 -50.4786 104.537 272.962 -28.1278 272.963 36.103 GPRESSURE: 1624000 219.703 -57.3979 -158.863 -56.3226 91.8438 195.05 67.5212 320.148 89.5329 PRESSAVG: 1624000 -22.3671 -27.5166 20.862 -27.5166 31.0747 -2.38035 20.862 -2.38045 8.98634 GPRESSAVG: 1624000 -21.8475 -26.0117 19.4125 -28.8684 32.7426 -4.64008 22.0634 -0.204816 6.93099 TIMING: 1624000 CPU: 4831.3, 0.00296729/step Wall: 4831.3, 0.00296729/step, 2.78266 hours remaining, 206.964844 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: 1624000 744.1820 2023.7299 1920.7209 101.4250 -206564.6014 18055.0899 0.0000 0.0000 34175.7218 -149543.7320 298.4651 -183719.4539 -149450.3688 298.1618 97.5725 133.6931 556172.6397 5.8980 5.9420 PRESSURE: 1624200 -24.4216 -28.3273 89.256 -28.3268 -179.18 -151.556 89.2551 -151.557 -190.116 GPRESSURE: 1624200 74.1548 38.8862 81.6162 -90.7164 -185.308 -162.213 121.463 -135.789 -187.336 PRESSAVG: 1624200 50.894 -5.80778 30.7809 -5.80783 21.3525 12.9042 30.7809 12.9041 -37.8787 GPRESSAVG: 1624200 50.0623 -6.95613 32.7878 -4.76667 22.4378 13.1453 28.7832 11.0103 -37.7945 TIMING: 1624200 CPU: 4831.89, 0.00296036/step Wall: 4831.89, 0.00296036/step, 2.776 hours remaining, 206.964844 MB of memory in use. ENERGY: 1624200 762.8101 2104.5975 1924.4088 109.3940 -206229.1212 17586.7673 0.0000 0.0000 34245.1012 -149496.0421 299.0710 -183741.1434 -149397.6481 298.6513 -131.2393 -99.4963 556623.9589 11.4559 11.5686 LDB: ============= START OF LOAD BALANCING ============== 4835.31 LDB: ============== END OF LOAD BALANCING =============== 4835.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4835.32 LDB: ============= START OF LOAD BALANCING ============== 4835.61 LDB: Largest compute 4821 load 0.027896 is 23.6% of average load 0.118060 LDB: Average compute 0.001723 is 1.5% of average load 0.118060 LDB: TIME 4835.62 LOAD: AVG 0.11806 MAX 0.201336 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 4835.62 LOAD: AVG 0.11806 MAX 0.201336 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: TIME 4835.62 LOAD: AVG 0.11806 MAX 0.201336 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: ============== END OF LOAD BALANCING =============== 4835.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4835.62 PRESSURE: 1624400 6.69417 64.3024 10.0828 64.3021 -229.418 -14.4551 10.0817 -14.4552 -121.131 GPRESSURE: 1624400 -12.0469 81.6994 -69.5776 151.131 -184.636 -94.6298 -50.0739 -11.2077 -56.2947 PRESSAVG: 1624400 55.9456 26.7485 -12.8646 26.7485 -44.4318 -57.3499 -12.8647 -57.35 0.466896 GPRESSAVG: 1624400 56.7697 27.1373 -12.7022 26.6781 -47.5093 -56.6493 -13.211 -59.1846 2.32605 TIMING: 1624400 CPU: 4832.49, 0.00302843/step Wall: 4832.49, 0.00302843/step, 2.83966 hours remaining, 205.230469 MB of memory in use. ENERGY: 1624400 764.1681 2137.3791 1955.0156 102.7149 -205979.3633 17579.6545 0.0000 0.0000 34077.5253 -149362.9057 297.6075 -183440.4311 -149263.2336 298.2519 -114.6185 -84.3258 557811.1739 3.9936 3.8621 PRESSURE: 1624600 -259.025 20.5295 -49.6022 20.5303 1.10615 -28.0528 -49.6013 -28.0513 -26.6305 GPRESSURE: 1624600 -239.379 26.6004 -31.6014 -0.351035 17.8456 -35.3345 -142.034 63.0872 33.9625 PRESSAVG: 1624600 37.5904 7.35131 -21.7047 7.35136 -79.3731 -6.54973 -21.7046 -6.54965 62.3689 GPRESSAVG: 1624600 37.299 7.33788 -22.4954 7.15321 -78.1636 -6.74479 -20.887 -4.97524 61.5742 TIMING: 1624600 CPU: 4833.09, 0.00296358/step Wall: 4833.09, 0.00296358/step, 2.77868 hours remaining, 205.230469 MB of memory in use. ENERGY: 1624600 763.4562 2066.8805 1934.8386 104.9895 -206349.4621 17735.9234 0.0000 0.0000 34251.5718 -149491.8022 299.1275 -183743.3740 -149394.3405 298.5971 -94.8499 -62.5235 556160.2666 6.8621 6.9032 PRESSURE: 1624800 -297.034 19.0022 52.8817 19.0023 -283.346 -57.3891 52.8812 -57.3889 -66.2322 GPRESSURE: 1624800 -315.943 -9.25158 42.9662 93.5444 -282.45 31.6145 90.3863 -85.8018 56.6753 PRESSAVG: 1624800 79.599 -61.3062 -11.4595 -61.3062 -57.5208 30.5308 -11.4594 30.5307 24.2451 GPRESSAVG: 1624800 78.7439 -59.7773 -10.8814 -62.2281 -57.2921 30.8567 -11.7664 31.4195 24.7795 TIMING: 1624800 CPU: 4833.68, 0.0029677/step Wall: 4833.68, 0.0029677/step, 2.78238 hours remaining, 205.230469 MB of memory in use. ENERGY: 1624800 750.0938 2148.9741 1938.3893 109.0669 -206080.9747 17579.7333 0.0000 0.0000 34076.3864 -149478.3310 297.5976 -183554.7174 -149381.3766 298.5590 -215.5373 -180.5725 557564.6664 15.4411 15.4104 PRESSURE: 1625000 48.2156 4.55776 61.1043 4.55767 -70.1364 122.012 61.1037 122.012 189.914 GPRESSURE: 1625000 115.446 97.624 53.7386 -58.5492 -5.27697 37.0896 -7.21769 162.013 161.789 PRESSAVG: 1625000 26.5882 -34.5454 -50.5265 -34.5455 -56.3949 22.98 -50.5265 22.9802 -30.5378 GPRESSAVG: 1625000 26.7262 -36.1072 -50.9778 -35.8194 -56.9925 22.4766 -49.4198 21.0191 -30.2517 TIMING: 1625000 CPU: 4834.28, 0.00297978/step Wall: 4834.28, 0.00297978/step, 2.79354 hours remaining, 205.230469 MB of memory in use. ENERGY: 1625000 734.4219 2141.3294 1946.5073 115.9640 -206383.0821 17880.2127 0.0000 0.0000 34259.6005 -149305.0463 299.1976 -183564.6468 -149212.5675 298.7041 55.9976 90.6527 556768.5091 -20.1149 -20.1727 PRESSURE: 1625200 28.0429 -63.2467 -19.7767 -63.246 167.892 63.0228 -19.7771 63.0231 -14.7009 GPRESSURE: 1625200 68.8527 -43.9741 -2.64583 -120.333 221.548 43.2173 55.5347 156.397 1.13299 PRESSAVG: 1625200 -0.490695 39.7789 16.7461 39.7789 68.5501 -14.4192 16.7461 -14.4192 -70.5801 GPRESSAVG: 1625200 -0.696414 39.3604 15.6078 39.9182 67.7796 -13.1923 17.0313 -12.9812 -70.0796 TIMING: 1625200 CPU: 4834.87, 0.00295761/step Wall: 4834.87, 0.00295761/step, 2.77259 hours remaining, 205.230469 MB of memory in use. ENERGY: 1625200 788.3405 2092.4734 1937.5179 114.5127 -206561.3560 17971.9528 0.0000 0.0000 34252.1053 -149404.4535 299.1322 -183656.5588 -149301.8923 298.8325 60.4115 97.1778 556763.0146 -0.8402 -0.9988 PRESSURE: 1625400 -443.388 -73.178 -39.2945 -73.1783 -17.5216 -69.49 -39.2949 -69.4914 -79.1335 GPRESSURE: 1625400 -434.358 -102.296 64.2061 -8.16369 -7.52776 9.68637 -41.0231 -59.0417 -13.366 PRESSAVG: 1625400 -35.5945 -60.337 39.4232 -60.337 12.3109 19.0632 39.4232 19.0633 17.5097 GPRESSAVG: 1625400 -37.1366 -60.9236 39.1757 -58.9543 12.9663 19.8629 38.9979 19.8494 17.6152 TIMING: 1625400 CPU: 4835.46, 0.00298272/step Wall: 4835.46, 0.00298272/step, 2.79596 hours remaining, 205.230469 MB of memory in use. ENERGY: 1625400 785.7623 2090.3549 1933.8014 102.6152 -205969.3465 17555.6496 0.0000 0.0000 34109.2484 -149391.9147 297.8845 -183501.1631 -149289.1182 298.8000 -180.0143 -151.7506 557976.4275 -1.9247 -2.1851 PRESSURE: 1625600 -156.85 118.307 -63.3112 118.306 66.7891 197.974 -63.312 197.976 -134.009 GPRESSURE: 1625600 -123.194 64.3959 -96.0708 125.139 129.737 147.581 -90.834 144.369 -132.282 PRESSAVG: 1625600 -29.6821 27.5984 -7.38048 27.5983 62.3877 62.2225 -7.38053 62.2224 -49.3666 GPRESSAVG: 1625600 -28.5032 27.7444 -5.61874 27.0511 62.1663 62.4425 -7.73724 59.907 -50.1234 TIMING: 1625600 CPU: 4836.06, 0.00297899/step Wall: 4836.06, 0.00297899/step, 2.79231 hours remaining, 205.230469 MB of memory in use. ENERGY: 1625600 728.3163 2108.8448 1930.3054 116.9289 -206296.5862 17731.3248 0.0000 0.0000 34286.8159 -149394.0501 299.4353 -183680.8660 -149294.5145 298.8688 -74.6898 -41.9133 557778.3093 -5.5537 -5.4867 PRESSURE: 1625800 -8.91538 44.712 -198.458 44.7119 -84.7806 40.7478 -198.458 40.7484 -70.2486 GPRESSURE: 1625800 44.374 131.402 -38.3245 70.5788 -101.564 47.4689 -200.508 -26.6007 3.72808 PRESSAVG: 1625800 13.7574 14.0201 46.9587 14.02 30.3441 -2.39973 46.9587 -2.39967 -75.8572 GPRESSAVG: 1625800 14.5572 16.1278 46.6407 14.1287 29.774 -2.56935 48.8594 -2.32413 -75.7774 TIMING: 1625800 CPU: 4836.65, 0.00296489/step Wall: 4836.65, 0.00296489/step, 2.77893 hours remaining, 205.230469 MB of memory in use. ENERGY: 1625800 740.4601 2092.1744 1947.0321 106.9868 -206405.3246 17582.6762 0.0000 0.0000 34478.9441 -149457.0508 301.1132 -183935.9949 -149359.4261 299.3761 -54.6482 -17.8208 556493.2329 -10.5852 -10.4821 PRESSURE: 1626000 202.182 135.461 60.2804 135.461 64.5682 -68.9872 60.2817 -68.9868 228.932 GPRESSURE: 1626000 250.178 87.2497 -33.7793 161.17 71.9972 -50.5885 42.5252 -86.3797 269.051 PRESSAVG: 1626000 38.811 63.9646 -36.1672 63.9646 21.652 -78.4829 -36.1672 -78.4829 -26.2418 GPRESSAVG: 1626000 39.08 63.7349 -37.2232 61.9186 20.9975 -79.2789 -36.67 -77.9314 -26.3954 TIMING: 1626000 CPU: 4837.24, 0.00296256/step Wall: 4837.24, 0.00296256/step, 2.77657 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: 1626000 736.6121 2077.0255 1948.5861 107.2618 -206486.2208 18074.1667 0.0000 0.0000 34149.4799 -149393.0887 298.2359 -183542.5686 -149293.0028 298.6380 165.2276 197.0753 556964.0492 11.4071 11.2274 PRESSURE: 1626200 6.5305 149.987 -103.384 149.988 -27.3054 -116.712 -103.384 -116.713 100.182 GPRESSURE: 1626200 14.4988 104.799 -90.8935 190.023 -13.2177 -68.4684 -78.0471 -83.8812 163.375 PRESSAVG: 1626200 -15.6811 39.4139 15.5742 39.4139 27.377 -48.8569 15.5742 -48.857 -23.4265 GPRESSAVG: 1626200 -16.3046 40.5505 15.6601 41.1124 27.7745 -48.6565 14.8519 -48.8093 -23.7383 TIMING: 1626200 CPU: 4837.84, 0.00297603/step Wall: 4837.84, 0.00297603/step, 2.78903 hours remaining, 205.230469 MB of memory in use. ENERGY: 1626200 704.0956 2135.0494 1961.2617 107.5646 -206685.9096 18020.5735 0.0000 0.0000 34161.3979 -149595.9668 298.3400 -183757.3647 -149495.9180 298.9975 26.4690 54.8854 558573.6418 -3.9102 -4.0895 PRESSURE: 1626400 -61.9658 -150.915 181.254 -150.914 179.207 143.099 181.256 143.1 -48.3568 GPRESSURE: 1626400 -13.3559 -158.864 155.796 -115.61 173.85 151.641 183.033 171.693 -5.83758 PRESSAVG: 1626400 5.2479 -73.737 45.6148 -73.737 -19.1622 -23.3117 45.6148 -23.3116 20.2401 GPRESSAVG: 1626400 5.02099 -73.5163 47.6295 -75.9763 -19.4676 -22.9516 47.3455 -22.1691 20.0374 TIMING: 1626400 CPU: 4838.44, 0.00297683/step Wall: 4838.44, 0.00297683/step, 2.78962 hours remaining, 205.230469 MB of memory in use. ENERGY: 1626400 717.3006 2098.3126 1925.9867 113.6924 -206312.6287 17864.4396 0.0000 0.0000 33957.4577 -149635.4391 296.5589 -183592.8968 -149544.6612 297.7256 22.9613 51.5522 558215.4548 2.1086 1.8636 PRESSURE: 1626600 -409.208 112.596 -75.9909 112.596 -123.196 -7.40458 -75.9912 -7.40672 74.869 GPRESSURE: 1626600 -365.428 108.965 -127.959 69.8181 -55.5262 37.0532 -45.4924 -40.3876 60.4003 PRESSAVG: 1626600 -26.3319 2.41477 14.2464 2.41478 -15.1165 -3.31466 14.2463 -3.31477 19.3035 GPRESSAVG: 1626600 -26.2678 0.157651 13.9374 5.97523 -15.1243 -2.08313 11.6342 -5.7558 18.9777 TIMING: 1626600 CPU: 4839.03, 0.00298427/step Wall: 4839.03, 0.00298427/step, 2.79643 hours remaining, 205.230469 MB of memory in use. ENERGY: 1626600 727.9702 2068.3781 1948.8001 115.9148 -206405.7587 17712.3182 0.0000 0.0000 34146.7276 -149685.6498 298.2119 -183832.3774 -149583.8127 297.9105 -152.5118 -120.1845 558490.5100 -7.3816 -7.4714 PRESSURE: 1626800 -300.609 34.7131 -13.4095 34.7147 -174.557 59.4458 -13.4094 59.4455 -138.802 GPRESSURE: 1626800 -151.734 -43.6328 -26.7426 98.3404 -249.726 128.235 20.0236 28.0164 -108.247 PRESSAVG: 1626800 -33.9887 55.2496 59.9381 55.2497 -61.0517 19.3984 59.938 19.3983 99.907 GPRESSAVG: 1626800 -32.8096 56.0043 59.5097 53.1142 -62.3209 19.5059 62.1528 20.7157 100.037 TIMING: 1626800 CPU: 4839.63, 0.00297298/step Wall: 4839.63, 0.00297298/step, 2.78568 hours remaining, 205.230469 MB of memory in use. ENERGY: 1626800 771.3011 2056.1840 1938.2299 112.4262 -206342.6492 17684.1997 0.0000 0.0000 34167.2883 -149613.0200 298.3914 -183780.3083 -149521.0094 297.5531 -204.6558 -169.9025 557457.0325 1.6222 1.6356 PRESSURE: 1627000 -130.421 -205.027 -125.815 -205.025 0.768352 -172.837 -125.815 -172.836 -58.3983 GPRESSURE: 1627000 -128.421 -184.294 -56.9926 -160.317 29.7488 -232.382 -163.225 -108.122 -1.1844 PRESSAVG: 1627000 -19.672 -29.7421 -0.0227825 -29.7422 79.2861 -22.2513 -0.0227477 -22.2513 -20.4583 GPRESSAVG: 1627000 -21.285 -27.9061 1.75533 -27.1268 80.7168 -23.8551 -0.36066 -21.7079 -19.9649 TIMING: 1627000 CPU: 4840.22, 0.0029537/step Wall: 4840.22, 0.0029537/step, 2.76745 hours remaining, 205.230469 MB of memory in use. ENERGY: 1627000 733.2907 2070.7684 1957.2439 114.9022 -206285.5667 17772.1994 0.0000 0.0000 34144.1432 -149493.0189 298.1893 -183637.1621 -149393.4527 297.8843 -62.6835 -33.2856 557949.4806 13.0520 13.1556 PRESSURE: 1627200 -261.436 60.0584 229.866 60.0578 -131.551 -6.05107 229.867 -6.04975 -61.7866 GPRESSURE: 1627200 -227.291 12.1176 234.966 21.4078 -73.1005 -59.794 115.885 -38.815 -65.6756 PRESSAVG: 1627200 -13.8916 -39.4629 13.1673 -39.4629 2.43763 -68.2013 13.1673 -68.2013 0.319643 GPRESSAVG: 1627200 -12.1479 -42.3621 10.3546 -40.741 1.49065 -69.2459 12.9324 -68.0922 -0.274574 TIMING: 1627200 CPU: 4840.81, 0.00296552/step Wall: 4840.81, 0.00296552/step, 2.77836 hours remaining, 205.230469 MB of memory in use. ENERGY: 1627200 752.1234 2110.7320 1929.0773 113.2014 -206189.6753 17586.7880 0.0000 0.0000 34209.7831 -149487.9701 298.7625 -183697.7532 -149390.6795 298.5817 -151.5911 -122.0224 556983.9850 -3.7114 -3.6439 PRESSURE: 1627400 -67.9 -219.623 124.392 -219.624 323.102 31.2039 124.392 31.2034 -68.0722 GPRESSURE: 1627400 -1.99125 -137.461 44.4863 -194.593 285.462 14.1413 164.596 7.86835 3.60903 PRESSAVG: 1627400 -11.5082 22.5056 26.7301 22.5055 10.7658 -32.9725 26.7302 -32.9726 20.638 GPRESSAVG: 1627400 -12.95 24.9596 27.3287 21.7384 10.8852 -31.252 26.8945 -34.1915 22.0387 TIMING: 1627400 CPU: 4841.4, 0.00296869/step Wall: 4841.4, 0.00296869/step, 2.78117 hours remaining, 205.230469 MB of memory in use. ENERGY: 1627400 748.5349 2136.4950 1948.3259 118.2698 -206687.6134 18141.6506 0.0000 0.0000 34231.2738 -149363.0633 298.9502 -183594.3371 -149267.0859 298.5876 62.3764 95.6931 558613.7426 6.6319 6.6580 PRESSURE: 1627600 -92.9857 -6.77997 -11.5324 -6.77917 -224.365 -52.393 -11.5325 -52.3933 -231.889 GPRESSURE: 1627600 -96.3443 -1.30881 3.66408 -34.7634 -188.298 -39.7637 25.6402 -72.4751 -169.337 PRESSAVG: 1627600 -37.0712 -24.0097 30.0742 -24.0097 57.2985 -18.7006 30.0742 -18.7006 -12.0888 GPRESSAVG: 1627600 -36.613 -24.4975 30.3319 -23.8657 58.4649 -20.4178 29.491 -16.6065 -13.8335 TIMING: 1627600 CPU: 4841.99, 0.00293188/step Wall: 4841.99, 0.00293188/step, 2.74652 hours remaining, 205.230469 MB of memory in use. ENERGY: 1627600 744.6923 2181.1421 1935.3693 113.0347 -206259.9122 17773.7958 0.0000 0.0000 34227.9965 -149283.8816 298.9216 -183511.8780 -149191.5485 298.7440 -183.0799 -151.3263 558188.9770 2.7128 2.6728 PRESSURE: 1627800 -139.46 -85.928 117.388 -85.9272 -356.317 -29.4639 117.388 -29.4614 82.4574 GPRESSURE: 1627800 -82.5275 -87.7262 151.739 -162.276 -296.901 -3.56357 54.8085 -42.974 72.7638 PRESSAVG: 1627800 -35.5959 -44.5219 -33.0804 -44.5219 27.8927 -39.1171 -33.0805 -39.1172 -19.2548 GPRESSAVG: 1627800 -36.0754 -46.1069 -32.9089 -44.9944 28.2016 -38.046 -34.2287 -39.715 -19.8603 TIMING: 1627800 CPU: 4842.58, 0.00294091/step Wall: 4842.58, 0.00294091/step, 2.75481 hours remaining, 205.230469 MB of memory in use. ENERGY: 1627800 781.4695 2085.2769 1939.3572 113.7248 -205963.7135 17713.9419 0.0000 0.0000 34151.2125 -149178.7306 298.2510 -183329.9432 -149080.1688 299.4270 -137.7733 -102.2216 558359.8672 -8.9860 -9.2447 PRESSURE: 1628000 -169.895 -25.6504 83.0688 -25.652 -210.505 70.5937 83.0681 70.593 182.174 GPRESSURE: 1628000 -107.196 -61.8983 144.608 -18.7075 -198.603 26.1996 92.7515 143.67 212.775 PRESSAVG: 1628000 -19.0851 -11.0481 13.1741 -11.0481 -55.7232 -21.9441 13.1741 -21.9441 62.8456 GPRESSAVG: 1628000 -18.7645 -10.7544 12.4456 -11.6608 -56.3255 -23.6803 14.9675 -20.8014 63.6318 TIMING: 1628000 CPU: 4843.17, 0.00293715/step Wall: 4843.17, 0.00293715/step, 2.75113 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: 1628000 769.4754 2098.2061 1910.8284 110.1796 -206243.6628 17691.1780 0.0000 0.0000 34368.6942 -149295.1011 300.1504 -183663.7953 -149195.3090 299.1835 -66.0755 -31.0080 556932.9226 -3.9876 -3.8194 PRESSURE: 1628200 -45.8641 -74.3791 -36.8847 -74.3801 -197.621 18.0054 -36.8845 18.0075 -65.2289 GPRESSURE: 1628200 -8.61752 -62.4645 -51.2112 -106.703 -189.293 -25.9877 -108.524 45.2963 -27.4864 PRESSAVG: 1628200 -17.4701 35.8641 47.3778 35.8641 -83.6101 53.7858 47.3778 53.7857 110.088 GPRESSAVG: 1628200 -17.5059 37.9306 47.4674 35.3687 -84.1403 54.26 47.7836 53.4802 110.542 TIMING: 1628200 CPU: 4843.76, 0.00298261/step Wall: 4843.76, 0.00298261/step, 2.79354 hours remaining, 205.230469 MB of memory in use. ENERGY: 1628200 746.3956 2116.3536 1952.7407 117.5456 -205933.4729 17629.3151 0.0000 0.0000 34232.0573 -149139.0650 298.9571 -183371.1223 -149047.8341 299.6908 -102.9047 -75.1323 557978.7137 3.0027 2.9654 LDB: ============= START OF LOAD BALANCING ============== 4847.19 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 4847.19 LDB: =============== DONE WITH MIGRATION ================ 4847.19 LDB: ============= START OF LOAD BALANCING ============== 4847.49 LDB: Largest compute 4821 load 0.027041 is 22.9% of average load 0.118094 LDB: Average compute 0.001724 is 1.5% of average load 0.118094 LDB: TIME 4847.49 LOAD: AVG 0.118094 MAX 0.20096 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 4847.49 LOAD: AVG 0.118094 MAX 0.20096 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.547 MB LDB: TIME 4847.49 LOAD: AVG 0.118094 MAX 0.20096 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.547 MB LDB: ============== END OF LOAD BALANCING =============== 4847.49 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4847.5 PRESSURE: 1628400 -177.623 123.053 -18.1434 123.053 -93.8201 -108.959 -18.1427 -108.959 94.7597 GPRESSURE: 1628400 -112.934 172.504 -73.6749 72.1295 -65.7776 -141.861 38.8259 -129.301 96.7785 PRESSAVG: 1628400 92.5223 -6.98308 15.1117 -6.98306 -11.0647 -27.8839 15.1116 -27.8838 25.3078 GPRESSAVG: 1628400 93.1831 -8.70843 13.4252 -6.23733 -10.1349 -27.8451 14.9141 -28.1738 23.4612 TIMING: 1628400 CPU: 4844.37, 0.00302203/step Wall: 4844.37, 0.00302203/step, 2.8303 hours remaining, 206.699219 MB of memory in use. ENERGY: 1628400 748.6705 2103.9379 1963.4581 117.2744 -206106.4802 17776.6951 0.0000 0.0000 34241.1228 -149155.3213 299.0362 -183396.4441 -149058.5986 299.4286 -58.8944 -27.3110 557675.7757 35.5885 35.5031 PRESSURE: 1628600 -52.7703 -70.06 66.0351 -70.061 -234.464 -172.74 66.0367 -172.74 -77.6559 GPRESSURE: 1628600 10.0647 -88.2946 117.498 -65.1037 -200.634 -137.213 -26.5672 -194.484 -70.0444 PRESSAVG: 1628600 -37.5869 7.15703 -16.8332 7.15707 -33.7762 -46.3237 -16.8332 -46.3238 47.6663 GPRESSAVG: 1628600 -37.5948 9.45583 -14.6997 8.07706 -34.289 -45.9289 -17.9626 -46.1088 47.9156 TIMING: 1628600 CPU: 4844.96, 0.00297881/step Wall: 4844.96, 0.00297881/step, 2.78965 hours remaining, 206.699219 MB of memory in use. ENERGY: 1628600 744.4702 2144.2212 1959.7242 116.3068 -205823.7058 17596.8643 0.0000 0.0000 34251.6274 -149010.4916 299.1280 -183262.1190 -148912.0675 299.6514 -121.6301 -86.8712 557048.2456 -7.8989 -7.9894 PRESSURE: 1628800 -24.4211 -6.06181 -41.5878 -6.06277 87.8283 -36.0961 -41.5876 -36.0957 17.8493 GPRESSURE: 1628800 -5.39697 44.6909 2.61041 8.39303 109.515 -52.5904 -67.1984 8.91002 66.73 PRESSAVG: 1628800 -81.7072 -44.8207 24.0591 -44.8207 20.8667 -37.6039 24.059 -37.6038 58.1551 GPRESSAVG: 1628800 -83.6233 -46.9339 22.6396 -45.5622 21.6912 -36.8981 24.6238 -38.903 58.5222 TIMING: 1628800 CPU: 4845.56, 0.00297497/step Wall: 4845.56, 0.00297497/step, 2.7859 hours remaining, 206.699219 MB of memory in use. ENERGY: 1628800 747.2537 2086.4605 1963.0618 109.9621 -205923.9711 17741.1170 0.0000 0.0000 34329.8294 -148946.2866 299.8109 -183276.1160 -148849.3192 299.7988 27.0855 56.9493 557796.7935 -0.8952 -1.1366 PRESSURE: 1629000 43.7881 -92.6776 -32.1407 -92.6776 200.429 210.47 -32.1406 210.47 73.3227 GPRESSURE: 1629000 96.3834 -96.573 11.6368 -72.4221 222.264 201.702 5.07674 287.326 87.916 PRESSAVG: 1629000 -12.6886 40.7087 53.8511 40.7086 0.41277 7.85455 53.8511 7.85458 6.22008 GPRESSAVG: 1629000 -11.3111 40.4894 52.9182 43.2008 -0.578669 8.01384 53.4156 8.32138 5.81148 TIMING: 1629000 CPU: 4846.15, 0.00298433/step Wall: 4846.15, 0.00298433/step, 2.79449 hours remaining, 206.699219 MB of memory in use. ENERGY: 1629000 744.5188 2153.2980 1941.5128 116.3996 -205956.2789 17754.5733 0.0000 0.0000 34255.2344 -148990.7420 299.1595 -183245.9764 -148892.6667 300.3091 105.8465 135.5212 555675.8956 -2.0186 -2.0261 PRESSURE: 1629200 -373.74 -15.8049 -70.9922 -15.804 -133.46 71.6796 -70.9912 71.6799 -266.95 GPRESSURE: 1629200 -369.475 33.3609 -72.4989 -51.7499 -74.3525 88.2734 -72.1606 66.9353 -228.766 PRESSAVG: 1629200 40.2646 -14.895 28.6914 -14.895 -6.99491 33.4149 28.6915 33.4147 -30.3203 GPRESSAVG: 1629200 40.0181 -15.7533 30.2908 -15.6214 -7.83497 33.6252 29.026 33.532 -29.2692 TIMING: 1629200 CPU: 4846.75, 0.00297528/step Wall: 4846.75, 0.00297528/step, 2.78585 hours remaining, 206.699219 MB of memory in use. ENERGY: 1629200 778.7362 2093.7169 1949.8781 118.6552 -205714.1053 17377.3365 0.0000 0.0000 34332.3849 -149063.3974 299.8333 -183395.7823 -148971.0086 299.2611 -258.0503 -224.1977 557049.3831 0.9831 0.9713 PRESSURE: 1629400 351.439 -113.589 -212.336 -113.589 119.009 71.02 -212.335 71.0184 287.697 GPRESSURE: 1629400 386.712 -77.0793 -115.208 -151.082 149.584 54.9287 -241.869 21.9549 314.4 PRESSAVG: 1629400 64.634 2.34441 -17.2964 2.34439 -43.8111 2.73653 -17.2963 2.73659 1.48 GPRESSAVG: 1629400 64.0624 2.65851 -18.1227 3.30558 -42.0848 1.43888 -17.6417 3.76676 0.944655 TIMING: 1629400 CPU: 4847.34, 0.00297467/step Wall: 4847.34, 0.00297467/step, 2.78511 hours remaining, 206.699219 MB of memory in use. ENERGY: 1629400 713.3312 2094.8756 1928.3851 116.7743 -206379.9554 17993.2004 0.0000 0.0000 34415.1641 -149118.2247 300.5562 -183533.3889 -149022.9075 299.4945 252.7151 283.5652 556020.2531 7.4343 7.6407 PRESSURE: 1629600 84.0431 161.962 3.83957 161.96 102.718 -158.768 3.84025 -158.766 -69.9617 GPRESSURE: 1629600 88.5435 123.189 -38.4252 168.599 118.55 -151.365 1.97561 -233.96 4.56978 PRESSAVG: 1629600 14.3874 -8.80611 -11.1515 -8.80606 -7.00524 -20.0125 -11.1516 -20.0125 -14.6387 GPRESSAVG: 1629600 14.862 -6.48853 -13.1527 -11.1411 -6.76725 -21.0361 -9.55917 -19.5698 -15.6932 TIMING: 1629600 CPU: 4847.94, 0.00297732/step Wall: 4847.94, 0.00297732/step, 2.78743 hours remaining, 206.699219 MB of memory in use. ENERGY: 1629600 712.7749 2139.4800 1921.9095 119.9642 -206045.1309 17691.0718 0.0000 0.0000 34153.0994 -149306.8311 298.2675 -183459.9305 -149208.4484 299.1043 38.9330 70.5544 556744.4214 -2.4188 -2.5328 PRESSURE: 1629800 -34.2657 98.9552 25.9197 98.9539 -80.2468 68.8259 25.919 68.8234 35.5946 GPRESSURE: 1629800 25.8793 120.275 83.0165 96.1177 -41.1712 41.1286 36.6377 80.2025 45.196 PRESSAVG: 1629800 -15.5414 43.6904 34.8939 43.6905 15.122 -39.9786 34.894 -39.9787 17.726 GPRESSAVG: 1629800 -15.1395 44.6623 35.8093 44.3256 14.9041 -40.226 34.5051 -37.9775 17.8481 TIMING: 1629800 CPU: 4848.53, 0.00295487/step Wall: 4848.53, 0.00295487/step, 2.76625 hours remaining, 206.699219 MB of memory in use. ENERGY: 1629800 764.9121 2027.7566 1939.8807 123.4627 -206039.7498 17830.5986 0.0000 0.0000 34173.5637 -149179.5754 298.4462 -183353.1391 -149079.1485 299.2471 -26.3060 9.9680 558476.3790 5.7688 5.8709 PRESSURE: 1630000 -69.0363 157.629 -134.801 157.63 -204.013 84.306 -134.801 84.306 177.692 GPRESSURE: 1630000 -11.2802 189.728 -43.1506 227.357 -207.475 31.9995 -48.7078 70.2195 208.644 PRESSAVG: 1630000 14.7815 -2.65526 8.73488 -2.6554 -0.748626 -5.11685 8.73487 -5.11682 -12.0334 GPRESSAVG: 1630000 14.5843 -6.64068 9.27921 -1.57129 -0.942979 -2.68545 7.91286 -6.44516 -11.4093 TIMING: 1630000 CPU: 4849.13, 0.00297623/step Wall: 4849.13, 0.00297623/step, 2.78608 hours remaining, 206.699219 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: 1630000 749.7189 2121.9755 1932.3480 119.2596 -205951.4730 17653.7722 0.0000 0.0000 34267.3049 -149107.0938 299.2649 -183374.3987 -149009.6344 299.1887 -31.7859 -3.3705 557798.6362 0.6665 0.7440 PRESSURE: 1630200 108.899 -180.063 -188.619 -180.063 -1.79995 99.9001 -188.618 99.8997 -110.065 GPRESSURE: 1630200 165.735 -110.366 -267.152 -221.111 -27.9034 162.274 -113.242 68.3049 -28.1275 PRESSAVG: 1630200 2.31111 22.2308 -61.7949 22.2308 26.6286 42.7524 -61.7947 42.7525 -1.27541 GPRESSAVG: 1630200 1.84016 23.9482 -62.884 20.6349 27.2567 40.8861 -61.4192 43.0467 -1.03967 TIMING: 1630200 CPU: 4849.72, 0.00298926/step Wall: 4849.72, 0.00298926/step, 2.79811 hours remaining, 206.699219 MB of memory in use. ENERGY: 1630200 753.9061 2117.0785 1925.3297 109.0667 -206035.2850 17935.1086 0.0000 0.0000 34149.0869 -149045.7084 298.2325 -183194.7952 -148947.6556 298.9688 -0.9887 36.5681 559554.3186 9.2214 9.3524 PRESSURE: 1630400 -275.167 -194.54 125.685 -194.539 -70.8983 70.1031 125.685 70.1028 37.6765 GPRESSURE: 1630400 -180.649 -101.105 134.44 -218.112 -74.7651 63.9213 115.352 84.0351 39.8833 PRESSAVG: 1630400 50.5422 -55.2653 -30.9093 -55.2653 8.29759 40.1196 -30.9093 40.1196 -47.1695 GPRESSAVG: 1630400 51.4577 -56.5591 -29.1575 -53.427 8.80411 41.1705 -32.5915 38.6687 -48.8033 TIMING: 1630400 CPU: 4850.32, 0.00298607/step Wall: 4850.32, 0.00298607/step, 2.79496 hours remaining, 206.699219 MB of memory in use. ENERGY: 1630400 741.2786 2109.6937 1939.5960 124.8797 -206375.0525 17887.4182 0.0000 0.0000 34480.6592 -149091.5271 301.1282 -183572.1863 -148995.4652 299.5286 -102.7962 -71.8435 558788.3892 3.8901 3.8195 PRESSURE: 1630600 85.0412 155.955 35.2856 155.955 375.476 -74.8548 35.2858 -74.854 -5.7669 GPRESSURE: 1630600 76.8458 151.606 -15.7245 119.515 399.403 -47.5354 74.3391 -97.3136 71.326 PRESSAVG: 1630600 17.4563 -46.5245 -13.0762 -46.5245 11.7157 8.25086 -13.0762 8.25088 -20.6749 GPRESSAVG: 1630600 16.3773 -45.5693 -10.9691 -49.1382 11.251 9.06093 -13.0483 7.62397 -19.9559 TIMING: 1630600 CPU: 4850.92, 0.00298464/step Wall: 4850.92, 0.00298464/step, 2.79346 hours remaining, 206.699219 MB of memory in use. ENERGY: 1630600 718.1396 2108.9641 1926.3744 103.8931 -206207.3453 17933.0855 0.0000 0.0000 34315.6926 -149101.1960 299.6875 -183416.8886 -149000.2041 299.8720 151.5836 182.5250 557428.0261 2.8324 2.5575 PRESSURE: 1630800 162.458 -252.063 -71.7584 -252.063 117.925 162.489 -71.7579 162.49 61.944 GPRESSURE: 1630800 172.923 -128.583 -53.9119 -290.523 182.798 152.341 -132.107 181.155 78.2201 PRESSAVG: 1630800 38.032 -38.731 -37.2629 -38.7311 -20.3696 60.8421 -37.2629 60.8422 -40.4734 GPRESSAVG: 1630800 37.6084 -39.6144 -38.6335 -36.0941 -19.2445 59.5863 -38.2379 61.7355 -40.792 TIMING: 1630800 CPU: 4851.51, 0.00298195/step Wall: 4851.51, 0.00298195/step, 2.79077 hours remaining, 206.699219 MB of memory in use. ENERGY: 1630800 726.9224 2092.2773 1928.0980 102.3234 -205992.8560 17859.8296 0.0000 0.0000 34175.2583 -149108.1470 298.4610 -183283.4053 -149010.9365 300.3697 114.1090 144.6471 556591.5504 -7.6037 -7.4761 PRESSURE: 1631000 5.53424 -16.8197 3.87203 -16.8201 -396.49 44.8919 3.87107 44.8922 -137.901 GPRESSURE: 1631000 53.2114 -30.9948 -25.5783 -63.7806 -368.038 60.531 5.6396 128.891 -120.135 PRESSAVG: 1631000 42.8612 -31.0978 3.38637 -31.0979 -16.7404 69.3018 3.38631 69.3016 -16.3543 GPRESSAVG: 1631000 43.2609 -29.5579 2.19498 -31.6159 -16.6089 70.9766 5.29821 69.3539 -17.401 TIMING: 1631000 CPU: 4852.11, 0.00297881/step Wall: 4852.11, 0.00297881/step, 2.78767 hours remaining, 206.699219 MB of memory in use. ENERGY: 1631000 744.2102 2087.6506 1949.5505 110.8677 -206064.2207 17659.2980 0.0000 0.0000 34089.2104 -149423.4333 297.7096 -183512.6438 -149319.0694 298.6773 -176.2856 -144.9873 559117.5617 3.2555 3.0837 PRESSURE: 1631200 -179.505 -51.2822 18.7052 -51.2835 -166.427 51.0157 18.7042 51.0154 -150.241 GPRESSURE: 1631200 -126.363 -82.5221 66.8719 -49.4343 -130.921 60.7006 -50.83 88.7666 -146.732 PRESSAVG: 1631200 9.06956 13.1523 -48.6559 13.1522 15.7594 43.0519 -48.6558 43.052 -47.3392 GPRESSAVG: 1631200 10.2169 14.0457 -49.1685 11.3068 14.8434 42.8137 -47.5791 42.1257 -48.1838 TIMING: 1631200 CPU: 4852.71, 0.00297828/step Wall: 4852.71, 0.00297828/step, 2.78701 hours remaining, 206.699219 MB of memory in use. ENERGY: 1631200 727.1162 2136.3761 1902.4887 117.8428 -206128.4922 17644.2935 0.0000 0.0000 34128.5154 -149471.8595 298.0528 -183600.3749 -149380.0597 298.3056 -165.3909 -134.6717 558596.0742 -7.5034 -7.7078 PRESSURE: 1631400 -309.607 -7.88496 44.9272 -7.8863 -172.39 163.014 44.9275 163.015 -144.057 GPRESSURE: 1631400 -358.584 -30.2588 57.7366 -20.5173 -64.847 208.562 70.8279 187.273 -105.004 PRESSAVG: 1631400 56.0776 -13.1293 -23.9104 -13.1294 -28.708 34.7943 -23.9103 34.7943 -71.841 GPRESSAVG: 1631400 54.9484 -16.056 -24.1065 -12.4005 -29.1496 34.8494 -23.5545 34.6154 -70.0021 TIMING: 1631400 CPU: 4853.3, 0.00297976/step Wall: 4853.3, 0.00297976/step, 2.78823 hours remaining, 206.699219 MB of memory in use. ENERGY: 1631400 751.3341 2136.5377 1912.9687 115.1171 -206038.8811 17522.1832 0.0000 0.0000 34146.5154 -149454.2250 298.2100 -183600.7404 -149359.4455 298.0801 -208.6845 -176.1452 557986.4064 -14.8238 -14.7344 PRESSURE: 1631600 -79.7383 -9.57784 -17.3308 -9.57807 -125.843 -29.409 -17.332 -29.4084 -192.671 GPRESSURE: 1631600 -64.5478 -109.823 2.9033 88.2525 -65.1839 15.3342 -65.7488 36.2618 -178.43 PRESSAVG: 1631600 61.5529 -75.3741 10.8996 -75.374 -14.3381 50.674 10.8997 50.6741 -67.6194 GPRESSAVG: 1631600 61.8797 -75.7107 14.2694 -74.8011 -14.4528 50.415 8.85826 51.5906 -68.0611 TIMING: 1631600 CPU: 4853.9, 0.00299328/step Wall: 4853.9, 0.00299328/step, 2.80072 hours remaining, 206.699219 MB of memory in use. ENERGY: 1631600 704.4557 2098.9079 1940.7743 111.2865 -206010.9804 17640.7338 0.0000 0.0000 33913.4323 -149601.3899 296.1744 -183514.8222 -149505.8336 298.5783 -132.7510 -102.7204 558725.5847 -6.8016 -6.8780 PRESSURE: 1631800 7.62594 -30.68 -39.9436 -30.68 13.0288 23.103 -39.9439 23.1025 1.54877 GPRESSURE: 1631800 77.1872 -17.0312 -53.0382 -38.3826 21.0365 -136.565 -73.0957 48.4208 11.0506 PRESSAVG: 1631800 13.4755 -6.0187 -9.4307 -6.01875 13.9887 22.9686 -9.43066 22.9686 -40.9178 GPRESSAVG: 1631800 11.9149 -4.35489 -12.4659 -5.6771 13.7414 22.2579 -9.16479 23.2601 -39.27 TIMING: 1631800 CPU: 4854.5, 0.00299987/step Wall: 4854.5, 0.00299987/step, 2.80671 hours remaining, 206.699219 MB of memory in use. ENERGY: 1631800 691.7765 2066.6883 1926.8291 124.3560 -206268.6310 17777.3961 0.0000 0.0000 34133.4774 -149548.1076 298.0961 -183681.5850 -149454.6358 297.3036 7.4012 36.4248 558394.1402 -4.4846 -4.5379 PRESSURE: 1632000 -180.808 -21.3031 -146.675 -21.3025 78.0069 9.54647 -146.675 9.54728 -75.3814 GPRESSURE: 1632000 -120.428 -19.2023 -139.294 -44.7034 127.035 -91.4752 -63.9716 -67.5667 -75.0136 PRESSAVG: 1632000 13.6696 -40.2206 -50.886 -40.2207 -43.4051 5.20568 -50.886 5.20557 11.6972 GPRESSAVG: 1632000 14.6638 -40.1995 -48.223 -40.8872 -42.685 6.30963 -52.2075 3.47842 10.4989 TIMING: 1632000 CPU: 4855.1, 0.00301846/step Wall: 4855.1, 0.00301846/step, 2.82393 hours remaining, 206.699219 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: 1632000 787.0943 2122.9694 1904.9353 123.3303 -206189.2190 17714.0230 0.0000 0.0000 34252.3403 -149284.5264 299.1342 -183536.8666 -149190.9897 298.8460 -59.3943 -22.8021 557367.5729 -6.0127 -5.8408 PRESSURE: 1632200 -135.509 47.7762 49.4113 47.7764 -294.942 74.3021 49.4121 74.3015 -298.846 GPRESSURE: 1632200 -84.7424 93.7076 -16.7016 67.1369 -280.971 125.205 70.2786 90.0797 -279.183 PRESSAVG: 1632200 7.40681 -52.0063 5.3782 -52.0064 -7.74122 49.2782 5.37814 49.2782 -3.78076 GPRESSAVG: 1632200 7.79492 -52.0417 3.03155 -51.623 -8.9736 49.5363 6.20069 49.8674 -2.89527 TIMING: 1632200 CPU: 4855.71, 0.00300814/step Wall: 4855.71, 0.00300814/step, 2.81411 hours remaining, 206.699219 MB of memory in use. ENERGY: 1632200 767.4606 2029.7749 1919.7051 123.5011 -206064.9341 17622.5574 0.0000 0.0000 34273.3707 -149328.5642 299.3179 -183601.9349 -149231.9363 299.0656 -243.0988 -214.9656 559271.3055 -1.3717 -1.3580 LDB: ============= START OF LOAD BALANCING ============== 4859.14 LDB: ============== END OF LOAD BALANCING =============== 4859.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4859.14 LDB: ============= START OF LOAD BALANCING ============== 4859.44 LDB: Largest compute 4821 load 0.026313 is 22.3% of average load 0.118095 LDB: Average compute 0.001717 is 1.5% of average load 0.118095 LDB: TIME 4859.44 LOAD: AVG 0.118095 MAX 0.200835 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.934 MB LDB: TIME 4859.44 LOAD: AVG 0.118095 MAX 0.200835 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: TIME 4859.44 LOAD: AVG 0.118095 MAX 0.200835 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4859.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4859.45 PRESSURE: 1632400 172.346 29.1556 -122.118 29.1559 -165.417 85.5972 -122.118 85.5966 -184.374 GPRESSURE: 1632400 168.081 57.7755 -132.276 -37.5495 -130.427 72.4298 -44.8379 80.9887 -114.711 PRESSAVG: 1632400 36.1718 -24.1754 -18.1682 -24.1755 -33.3892 20.9092 -18.1681 20.9092 20.6074 GPRESSAVG: 1632400 36.1154 -24.1237 -17.8154 -25.2143 -32.1727 20.9988 -16.0998 22.3803 19.5864 TIMING: 1632400 CPU: 4856.32, 0.00304757/step Wall: 4856.32, 0.00304757/step, 2.85084 hours remaining, 205.875000 MB of memory in use. ENERGY: 1632400 744.7736 2119.0433 1920.4404 115.8035 -206241.8917 17636.8581 0.0000 0.0000 34333.6823 -149371.2905 299.8446 -183704.9728 -149285.4953 298.9211 -59.1483 -25.6856 555790.6518 7.7967 7.8430 PRESSURE: 1632600 -46.9357 -16.4383 63.7434 -16.4375 -9.41255 41.9107 63.7421 41.9082 -113.163 GPRESSURE: 1632600 -0.516461 5.98168 103.766 -20.0735 48.5338 86.6026 40.484 40.9203 -117.951 PRESSAVG: 1632600 -40.6043 21.5237 16.7273 21.5238 1.32658 -33.5102 16.7273 -33.5102 63.3515 GPRESSAVG: 1632600 -42.48 21.1837 16.3027 22.3919 1.874 -32.726 14.4862 -35.0247 64.3968 TIMING: 1632600 CPU: 4856.91, 0.0029893/step Wall: 4856.91, 0.0029893/step, 2.79616 hours remaining, 205.875000 MB of memory in use. ENERGY: 1632600 743.7773 2087.5072 1947.6094 102.1046 -206201.2922 17780.8317 0.0000 0.0000 34168.5484 -149370.9136 298.4024 -183539.4620 -149277.9700 298.7706 -56.5038 -23.3112 557576.5953 8.0246 7.9303 PRESSURE: 1632800 95.9305 146.473 143.193 146.471 32.3949 -127.847 143.193 -127.848 180.17 GPRESSURE: 1632800 86.901 50.4064 74.8897 126.47 101.084 -51.5654 146.393 -198.206 226.942 PRESSAVG: 1632800 -26.0138 -12.9605 36.8545 -12.9606 88.7003 11.595 36.8546 11.5949 -28.7979 GPRESSAVG: 1632800 -25.4029 -11.8719 37.1243 -14.513 87.9828 10.8609 37.4469 12.4497 -28.2516 TIMING: 1632800 CPU: 4857.51, 0.00298614/step Wall: 4857.51, 0.00298614/step, 2.79304 hours remaining, 205.875000 MB of memory in use. ENERGY: 1632800 751.8510 2104.2517 1940.1508 106.7623 -206431.8128 17934.8286 0.0000 0.0000 34157.2841 -149436.6844 298.3041 -183593.9685 -149345.4504 298.2769 102.8318 138.3090 555643.2575 11.2962 11.4428 PRESSURE: 1633000 -21.3409 -166.406 40.716 -166.405 107.011 -211.566 40.7157 -211.566 187.624 GPRESSURE: 1633000 4.01425 -126.266 21.9073 -125.577 190.343 -204.297 -8.72071 -174.636 178.8 PRESSAVG: 1633000 0.0214746 24.5937 12.2828 24.5937 26.9009 28.7614 12.2828 28.7612 -20.4434 GPRESSAVG: 1633000 0.17357 24.582 12.7928 25.7009 27.67 29.0626 13.0677 28.2158 -21.2845 TIMING: 1633000 CPU: 4858.11, 0.00300278/step Wall: 4858.11, 0.00300278/step, 2.80843 hours remaining, 205.875000 MB of memory in use. ENERGY: 1633000 751.4776 2057.0579 1931.0755 114.8731 -206579.5916 18012.3021 0.0000 0.0000 34237.5249 -149475.2804 299.0048 -183712.8053 -149382.8218 298.9018 91.0978 124.3857 554602.9382 2.1597 2.1864 PRESSURE: 1633200 96.9851 99.4126 -136.367 99.4125 -15.8415 -0.222945 -136.366 -0.22369 -27.0715 GPRESSURE: 1633200 60.0594 111.858 -149.448 176.39 -8.42486 -102.29 -103.332 146.148 89.74 PRESSAVG: 1633200 -1.13466 22.9503 16.5364 22.9504 20.1396 12.5681 16.5364 12.5681 -11.2293 GPRESSAVG: 1633200 -1.0267 24.2325 15.8517 22.0353 20.173 12.9929 15.4144 12.074 -11.2254 TIMING: 1633200 CPU: 4858.71, 0.00297541/step Wall: 4858.71, 0.00297541/step, 2.78267 hours remaining, 205.875000 MB of memory in use. ENERGY: 1633200 751.6563 2047.4370 1950.2666 111.0205 -206326.9680 17774.4916 0.0000 0.0000 34071.4883 -149620.6076 297.5548 -183692.0960 -149522.3302 298.0579 18.0240 47.1249 555782.0106 2.5919 2.6403 PRESSURE: 1633400 -187.915 62.062 107.095 62.062 -19.4048 2.41684 107.095 2.41512 -59.6703 GPRESSURE: 1633400 -161.561 73.9638 123.258 43.2868 35.5503 -62.8588 12.8953 -15.0521 -41.0846 PRESSAVG: 1633400 47.8395 21.8522 -16.1005 21.8522 26.474 9.53108 -16.1005 9.53114 -33.5483 GPRESSAVG: 1633400 48.3357 21.4237 -16.1032 21.3158 26.4764 7.37718 -13.8007 11.1105 -34.3913 TIMING: 1633400 CPU: 4859.3, 0.00296264/step Wall: 4859.3, 0.00296264/step, 2.77056 hours remaining, 205.875000 MB of memory in use. ENERGY: 1633400 755.3520 2115.5896 1914.0643 99.7075 -206512.9740 17902.1643 0.0000 0.0000 34229.4876 -149496.6087 298.9346 -183726.0964 -149401.3865 297.9321 -88.9967 -55.6983 557542.9641 13.5884 13.4736 PRESSURE: 1633600 116.039 81.1264 109.768 81.127 118.004 98.0062 109.768 98.0068 -54.9779 GPRESSURE: 1633600 157.784 83.3332 115.311 51.9828 134.78 134.005 80.8932 101.591 -5.51978 PRESSAVG: 1633600 -38.7268 -23.6853 25.2785 -23.6853 -36.692 -39.3473 25.2785 -39.3474 60.5089 GPRESSAVG: 1633600 -37.6909 -24.9722 26.8211 -22.4424 -36.9907 -38.395 23.3736 -37.7841 60.109 TIMING: 1633600 CPU: 4859.9, 0.00298725/step Wall: 4859.9, 0.00298725/step, 2.79341 hours remaining, 205.875000 MB of memory in use. ENERGY: 1633600 751.6156 2081.8496 1933.5638 118.2083 -206663.8982 18051.1862 0.0000 0.0000 34316.0296 -149411.4450 299.6904 -183727.4746 -149318.9629 298.2515 59.6882 95.6813 557961.2218 -4.9700 -4.8575 PRESSURE: 1633800 -271.62 115.861 -87.9544 115.861 -86.9907 11.2061 -87.954 11.2067 139.862 GPRESSURE: 1633800 -198.315 152.976 -76.7916 18.0101 -74.0758 44.3957 -131.27 -91.7935 159.48 PRESSAVG: 1633800 -10.622 16.6484 10.1782 16.6483 19.211 -9.91252 10.1783 -9.9126 12.947 GPRESSAVG: 1633800 -10.7939 15.8986 8.96397 15.7308 19.5055 -9.84086 11.3733 -11.7136 13.0636 TIMING: 1633800 CPU: 4860.5, 0.00300685/step Wall: 4860.5, 0.00300685/step, 2.81157 hours remaining, 205.875000 MB of memory in use. ENERGY: 1633800 774.3157 2096.0581 1917.8643 118.2620 -206126.7296 17682.1694 0.0000 0.0000 34102.7333 -149435.3269 297.8277 -183538.0601 -149344.4904 298.7413 -72.9165 -37.6371 558254.1404 7.1787 7.2584 PRESSURE: 1634000 169.229 29.0035 42.727 29.0032 -29.1298 6.84706 42.7282 6.84608 -199.893 GPRESSURE: 1634000 186.852 39.3999 91.3146 4.54905 -12.9991 23.6605 -77.2597 -77.7824 -139.941 PRESSAVG: 1634000 23.7297 12.1813 -10.1816 12.1814 -31.5869 -6.54028 -10.1817 -6.54033 -3.40303 GPRESSAVG: 1634000 23.1801 13.5082 -9.71474 11.6221 -31.6561 -5.96453 -9.94329 -6.04896 -2.97932 TIMING: 1634000 CPU: 4861.1, 0.00299212/step Wall: 4861.1, 0.00299212/step, 2.79763 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: 1634000 724.6044 2078.4819 1936.7076 104.5599 -206528.5210 17962.5429 0.0000 0.0000 34365.3280 -149356.2963 300.1210 -183721.6243 -149253.7902 299.0801 -19.9315 11.3042 557662.0774 -3.7534 -3.8184 PRESSURE: 1634200 -277.587 102.147 -2.6962 102.147 -44.5069 68.7219 -2.69627 68.7211 -115.774 GPRESSURE: 1634200 -250.988 112.669 4.22557 115.365 -26.2096 122.601 63.1375 100.197 -64.231 PRESSAVG: 1634200 -46.9696 43.9741 -10.4924 43.9741 -13.0651 -4.23307 -10.4923 -4.2331 52.8547 GPRESSAVG: 1634200 -47.0548 41.9961 -11.5039 46.3741 -12.82 -4.41782 -10.8557 -4.09617 51.9278 TIMING: 1634200 CPU: 4861.69, 0.00298782/step Wall: 4861.69, 0.00298782/step, 2.79345 hours remaining, 205.875000 MB of memory in use. ENERGY: 1634200 684.4395 2029.0417 1921.9420 105.3056 -206190.3306 17663.8432 0.0000 0.0000 34094.1692 -149691.5894 297.7529 -183785.7586 -149597.9169 298.7933 -145.9560 -113.8097 557113.6087 -2.3933 -2.6490 PRESSURE: 1634400 70.1098 119.982 -71.4744 119.982 -257.422 156.943 -71.4738 156.943 -171.992 GPRESSURE: 1634400 57.38 103.971 -58.2283 125.859 -205.671 106.86 -94.7402 106.686 -123.338 PRESSAVG: 1634400 5.10935 -47.3503 8.1972 -47.3504 17.8784 35.875 8.19722 35.875 -4.2139 GPRESSAVG: 1634400 5.04024 -47.6641 9.99731 -48.0094 18.1524 34.9806 8.9128 35.4436 -4.19281 TIMING: 1634400 CPU: 4862.29, 0.00298056/step Wall: 4862.29, 0.00298056/step, 2.78649 hours remaining, 205.875000 MB of memory in use. ENERGY: 1634400 750.1987 2058.9704 1930.9108 106.8958 -206178.6749 17717.7037 0.0000 0.0000 33887.6546 -149726.3410 295.9493 -183613.9956 -149634.2907 298.0621 -119.7679 -90.5433 557863.1244 6.2579 6.3333 PRESSURE: 1634600 -309.312 90.7142 -167.578 90.7141 -69.0582 224.746 -167.577 224.746 -182.885 GPRESSURE: 1634600 -273.95 81.2039 -208.855 40.7335 -27.6542 244.087 -58.5407 164.213 -174.418 PRESSAVG: 1634600 -48.4785 23.696 -39.4292 23.696 14.5412 52.4718 -39.4291 52.4717 22.4706 GPRESSAVG: 1634600 -47.9819 25.4042 -41.7493 22.9016 13.0328 52.9221 -39.0016 52.6047 23.8272 TIMING: 1634600 CPU: 4862.89, 0.00298548/step Wall: 4862.89, 0.00298548/step, 2.79092 hours remaining, 205.875000 MB of memory in use. ENERGY: 1634600 723.5774 2104.7605 1938.6857 109.0297 -205871.8098 17496.6983 0.0000 0.0000 33902.2999 -149596.7583 296.0772 -183499.0581 -149510.5103 298.0874 -187.0852 -158.6741 559400.8942 -3.8222 -3.7073 PRESSURE: 1634800 175.496 84.6941 -44.2621 84.6947 297.461 73.4408 -44.2618 73.4408 81.1198 GPRESSURE: 1634800 258.522 107.361 -0.667267 100.032 311.072 85.0411 -65.3589 45.8174 91.4229 PRESSAVG: 1634800 2.51908 47.7254 -70.5078 47.7254 -1.87493 13.3552 -70.5079 13.3552 33.0932 GPRESSAVG: 1634800 1.01704 47.1521 -67.3121 48.0494 -1.26515 14.0496 -72.7858 13.9986 33.6123 TIMING: 1634800 CPU: 4863.48, 0.00298041/step Wall: 4863.48, 0.00298041/step, 2.78602 hours remaining, 205.875000 MB of memory in use. ENERGY: 1634800 705.8617 2040.6742 1908.7353 114.0717 -206752.4017 18295.2329 0.0000 0.0000 34257.3707 -149430.4552 299.1781 -183687.8259 -149334.9918 298.2219 184.6922 220.3390 559093.1895 11.2458 11.1214 PRESSURE: 1635000 133.492 -54.9436 59.0611 -54.9426 -63.7707 -36.0577 59.06 -36.0574 -84.5829 GPRESSURE: 1635000 159.001 -45.0568 24.8377 -93.2437 6.89177 -70.6316 -2.54196 -58.8277 -92.293 PRESSAVG: 1635000 20.0132 22.8092 -27.6122 22.8093 -30.4211 -17.1822 -27.6122 -17.1822 26.9453 GPRESSAVG: 1635000 20.1871 24.9923 -29.8136 22.0749 -29.3846 -15.8485 -27.0174 -18.6701 25.6997 TIMING: 1635000 CPU: 4864.08, 0.00297437/step Wall: 4864.08, 0.00297437/step, 2.78021 hours remaining, 205.875000 MB of memory in use. ENERGY: 1635000 759.3512 2023.3877 1948.0465 106.9406 -206434.6176 17894.3091 0.0000 0.0000 34106.7215 -149595.8610 297.8625 -183702.5826 -149502.8599 298.0798 -4.9540 24.5333 557491.1973 5.5125 5.5007 PRESSURE: 1635200 49.8633 -33.0269 -57.8072 -33.0285 173.5 25.1419 -57.8069 25.1397 -149.346 GPRESSURE: 1635200 62.7328 -7.02458 -53.7957 -19.3979 172.82 -5.70363 -152.382 117.064 -68.0567 PRESSAVG: 1635200 26.1527 -2.1745 -34.4836 -2.17453 37.3837 -39.5034 -34.4835 -39.5034 -59.0975 GPRESSAVG: 1635200 26.3723 -3.6654 -33.9674 -1.92259 36.1941 -40.5643 -34.1199 -38.8698 -58.2458 TIMING: 1635200 CPU: 4864.68, 0.00298927/step Wall: 4864.68, 0.00298927/step, 2.79398 hours remaining, 205.875000 MB of memory in use. ENERGY: 1635200 733.5225 2095.6390 1941.9942 115.3179 -206349.9420 17845.9468 0.0000 0.0000 34080.0528 -149537.4688 297.6296 -183617.5216 -149441.9568 297.7322 24.6726 55.8319 556265.6671 1.4796 1.4402 PRESSURE: 1635400 -72.9017 5.15136 -58.37 5.15101 -240.88 54.3425 -58.3701 54.3432 -97.7459 GPRESSURE: 1635400 -45.0163 -42.2953 1.10759 59.4506 -231.591 119.736 -111.199 91.9599 -43.0527 PRESSAVG: 1635400 29.9857 5.68539 -60.5129 5.68527 -6.64034 -44.3403 -60.513 -44.3404 -18.0182 GPRESSAVG: 1635400 30.5967 7.47984 -59.663 3.10955 -6.64938 -46.248 -62.9656 -43.7317 -18.8394 TIMING: 1635400 CPU: 4865.27, 0.0029879/step Wall: 4865.27, 0.0029879/step, 2.79252 hours remaining, 205.875000 MB of memory in use. ENERGY: 1635400 750.6689 2054.6918 1929.1163 119.0472 -206034.7901 17735.5317 0.0000 0.0000 34063.4199 -149382.3144 297.4843 -183445.7343 -149293.2807 298.4788 -137.1757 -106.5534 558825.6008 1.7757 1.7026 PRESSURE: 1635600 -157.589 59.4206 -8.70969 59.4217 -185.232 34.7816 -8.71033 34.7812 -70.2304 GPRESSURE: 1635600 -64.7484 154.526 29.9635 19.4238 -228.925 27.3951 -14.1086 8.5294 -14.978 PRESSAVG: 1635600 -8.65606 -9.902 -23.2373 -9.90205 -44.268 -6.39288 -23.2373 -6.3929 62.0435 GPRESSAVG: 1635600 -8.3504 -13.2737 -22.6222 -4.9806 -44.6416 -3.42649 -21.799 -7.22182 61.8956 TIMING: 1635600 CPU: 4865.87, 0.00298601/step Wall: 4865.87, 0.00298601/step, 2.79059 hours remaining, 205.875000 MB of memory in use. ENERGY: 1635600 752.9917 1986.5478 1934.2345 108.5413 -206296.9654 17710.7514 0.0000 0.0000 34443.8330 -149360.0658 300.8066 -183803.8988 -149262.4055 298.5677 -137.6838 -102.8839 558041.4384 3.0398 2.9679 PRESSURE: 1635800 99.3453 -8.94657 22.8198 -8.94698 202.329 -94.536 22.8188 -94.5375 66.5638 GPRESSURE: 1635800 75.2227 56.4776 5.04817 -43.7756 201.914 -165.031 35.6624 -56.7125 197.377 PRESSAVG: 1635800 -55.7223 -69.4747 6.70798 -69.4747 5.69702 -29.5432 6.70798 -29.5433 26.7058 GPRESSAVG: 1635800 -56.6171 -67.1127 5.64055 -72.093 5.60448 -30.1716 7.50521 -28.2763 27.4519 TIMING: 1635800 CPU: 4866.47, 0.0029846/step Wall: 4866.47, 0.00298459/step, 2.7891 hours remaining, 205.875000 MB of memory in use. ENERGY: 1635800 722.7076 2041.1682 1949.3469 117.4777 -206136.6650 17852.2788 0.0000 0.0000 34050.2521 -149403.4336 297.3693 -183453.6856 -149299.0715 298.8581 122.7459 158.1714 558275.8279 -7.7732 -7.8536 PRESSURE: 1636000 -244.446 8.83346 108.244 8.83264 80.3508 -83.0719 108.244 -83.0724 -125.559 GPRESSURE: 1636000 -207.051 108.504 54.7856 -7.55665 90.1108 -77.7615 149.145 -87.6809 -86.2004 PRESSAVG: 1636000 9.16409 16.4439 -16.6386 16.4439 -29.1698 -46.6132 -16.6386 -46.6133 -19.3164 GPRESSAVG: 1636000 10.5083 16.4418 -16.0278 17.86 -28.8535 -45.3686 -17.5989 -49.152 -21.4637 TIMING: 1636000 CPU: 4867.06, 0.00297015/step Wall: 4867.06, 0.00297015/step, 2.77544 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: 1636000 748.4374 2066.3104 1928.9761 92.5400 -205897.0135 17742.3101 0.0000 0.0000 33947.6331 -149370.8063 296.4731 -183318.4394 -149275.7661 298.4393 -96.5514 -67.7136 559710.9961 -13.1074 -13.2696 PRESSURE: 1636200 171.714 93.0785 -179.856 93.0789 -128.201 69.0624 -179.855 69.062 -31.2126 GPRESSURE: 1636200 167.852 189.93 -207.746 98.725 -69.2467 29.608 -107.25 56.3315 9.73048 PRESSAVG: 1636200 -10.4956 -17.7291 8.97233 -17.7292 32.6357 -0.351334 8.97222 -0.351451 -41.6353 GPRESSAVG: 1636200 -11.6705 -18.4182 7.81092 -17.8198 31.7731 -0.862644 8.5941 -0.876272 -39.8861 TIMING: 1636200 CPU: 4867.66, 0.00299583/step Wall: 4867.66, 0.00299583/step, 2.79927 hours remaining, 205.875000 MB of memory in use. ENERGY: 1636200 742.9167 2027.8288 1939.0094 100.5213 -206351.6151 17942.9848 0.0000 0.0000 34191.1570 -149407.1971 298.5999 -183598.3541 -149313.5654 297.6688 4.1002 36.1119 558390.2229 -6.4984 -6.5945 LDB: ============= START OF LOAD BALANCING ============== 4871.09 LDB: ============== END OF LOAD BALANCING =============== 4871.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4871.09 LDB: ============= START OF LOAD BALANCING ============== 4871.38 LDB: Largest compute 4821 load 0.026185 is 22.2% of average load 0.118059 LDB: Average compute 0.001718 is 1.5% of average load 0.118059 LDB: TIME 4871.39 LOAD: AVG 0.118059 MAX 0.201303 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 4871.39 LOAD: AVG 0.118059 MAX 0.201303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: TIME 4871.39 LOAD: AVG 0.118059 MAX 0.201303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 4871.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4871.39 PRESSURE: 1636400 -41.4711 60.109 -50.0607 60.1086 -64.8709 -126.739 -50.0613 -126.739 214.844 GPRESSURE: 1636400 6.66128 -4.23179 -41.1764 91.3029 -40.6628 -38.1888 -151.685 -206.532 232.628 PRESSAVG: 1636400 20.067 4.45064 -31.8625 4.45056 -69.8189 -25.0365 -31.8624 -25.0364 66.2794 GPRESSAVG: 1636400 20.9638 3.0337 -30.6596 4.01021 -68.5868 -26.9275 -31.3376 -22.5624 64.3817 TIMING: 1636400 CPU: 4868.26, 0.00301326/step Wall: 4868.26, 0.00301326/step, 2.81539 hours remaining, 205.539062 MB of memory in use. ENERGY: 1636400 739.6517 2030.9631 1951.9857 129.6360 -206495.5747 17961.0370 0.0000 0.0000 34141.8277 -149540.4735 298.1691 -183682.3012 -149441.0210 298.5637 36.1673 66.2089 556869.8591 5.5092 5.5862 PRESSURE: 1636600 -73.3089 -84.9115 -10.9785 -84.9109 -137.941 -266.596 -10.9779 -266.598 55.378 GPRESSURE: 1636600 -34.4895 -73.5801 63.2522 -72.5231 -59.4288 -218.973 -35.0735 -183.482 42.4783 PRESSAVG: 1636600 55.6728 23.0654 4.59803 23.0654 -72.4647 -44.0272 4.59801 -44.0273 50.55 GPRESSAVG: 1636600 56.1375 23.2915 4.59177 21.4164 -72.7262 -40.529 4.75988 -45.3252 50.401 TIMING: 1636600 CPU: 4868.86, 0.00297855/step Wall: 4868.86, 0.00297855/step, 2.78279 hours remaining, 205.539062 MB of memory in use. ENERGY: 1636600 770.5416 2074.5573 1948.3055 116.3535 -206393.0071 17735.6183 0.0000 0.0000 34133.6936 -149613.9372 298.0980 -183747.6308 -149525.3012 298.5025 -51.9571 -17.1467 556237.9234 11.2527 11.2708 PRESSURE: 1636800 54.0018 -135.503 -129.365 -135.502 -95.0365 4.95599 -129.365 4.95638 22.7061 GPRESSURE: 1636800 63.1322 -168.933 -112.642 -121.291 -89.1499 -14.783 -97.9572 18.3678 105.746 PRESSAVG: 1636800 -37.6342 -42.2579 -64.8673 -42.2579 -14.1029 -55.5032 -64.8673 -55.5031 35.8262 GPRESSAVG: 1636800 -37.3513 -44.5112 -65.9992 -40.5733 -14.2389 -57.325 -64.7773 -52.8909 35.3137 TIMING: 1636800 CPU: 4869.46, 0.00300359/step Wall: 4869.46, 0.00300359/step, 2.80602 hours remaining, 205.539062 MB of memory in use. ENERGY: 1636800 773.5902 2107.6481 1934.7589 114.7581 -206434.0771 17916.0992 0.0000 0.0000 33950.3237 -149636.8989 296.4966 -183587.2226 -149545.5034 298.0004 -6.1095 26.5760 556875.2276 -5.3036 -5.4255 PRESSURE: 1637000 -101.836 -72.7365 -19.1993 -72.7358 -56.4332 -101.189 -19.1972 -101.189 -78.4428 GPRESSURE: 1637000 -90.292 -29.0654 46.825 -68.719 -40.8599 -49.5371 20.7981 -98.922 -14.0654 PRESSAVG: 1637000 -5.76874 -42.6907 -34.2063 -42.6907 3.63401 -6.67385 -34.2063 -6.67389 30.4239 GPRESSAVG: 1637000 -6.75643 -39.0397 -33.7681 -42.5078 3.76327 -6.41093 -34.9774 -10.0326 31.4212 TIMING: 1637000 CPU: 4870.06, 0.00298415/step Wall: 4870.06, 0.00298415/step, 2.7877 hours remaining, 205.539062 MB of memory in use. ENERGY: 1637000 741.4806 2057.3827 1938.3193 110.5059 -206577.6540 17764.7585 0.0000 0.0000 34448.5401 -149516.6669 300.8477 -183965.2070 -149417.4799 298.4680 -78.9041 -48.4058 557514.7142 9.4297 9.4760 PRESSURE: 1637200 -319.304 -39.2888 75.7153 -39.2895 -146.518 21.7836 75.7157 21.7833 -170.814 GPRESSURE: 1637200 -326.2 34.1674 1.93196 -57.3569 -121.905 38.0764 47.9455 56.0215 -101.651 PRESSAVG: 1637200 -28.6075 25.1436 -33.4192 25.1436 -20.9643 -5.93025 -33.4192 -5.93022 25.7831 GPRESSAVG: 1637200 -28.2241 22.8985 -34.7293 25.2733 -21.4839 -7.50686 -31.6263 -3.21274 25.2938 TIMING: 1637200 CPU: 4870.65, 0.00297273/step Wall: 4870.65, 0.00297273/step, 2.77686 hours remaining, 205.539062 MB of memory in use. ENERGY: 1637200 754.3042 2069.6167 1988.3893 103.3409 -206088.4387 17652.8926 0.0000 0.0000 34185.5199 -149334.3751 298.5506 -183519.8950 -149239.0979 298.7704 -212.2121 -183.2519 559477.7250 -7.9296 -8.1381 PRESSURE: 1637400 18.6307 149.535 -61.809 149.536 -26.9215 5.82896 -61.8102 5.82898 -21.2912 GPRESSURE: 1637400 84.9087 132.507 -101.539 138.368 -12.2626 -33.9414 -73.9374 32.2948 6.62247 PRESSAVG: 1637400 -18.9888 28.4324 -17.5504 28.4323 43.3375 -22.474 -17.5505 -22.474 1.65783 GPRESSAVG: 1637400 -19.0906 29.6478 -14.9453 27.3513 44.3282 -21.8997 -19.9096 -21.0453 0.838368 TIMING: 1637400 CPU: 4871.24, 0.00296176/step Wall: 4871.24, 0.00296176/step, 2.76645 hours remaining, 205.539062 MB of memory in use. ENERGY: 1637400 728.9944 2096.3182 1980.9301 122.7144 -206222.7375 17836.8769 0.0000 0.0000 34126.0962 -149330.8073 298.0317 -183456.9035 -149238.6783 298.6414 -9.8607 26.4229 558666.3835 8.6688 8.6920 PRESSURE: 1637600 -257.696 99.9027 38.8223 99.9037 -43.5751 -65.3026 38.8227 -65.3016 -74.5324 GPRESSURE: 1637600 -250.46 79.0372 -40.4034 67.6753 -6.11276 -22.5095 45.8466 -48.4431 -27.3856 PRESSAVG: 1637600 -16.9249 37.8758 -11.2695 37.8757 -9.85054 10.0836 -11.2694 10.0836 25.8856 GPRESSAVG: 1637600 -18.2062 37.8879 -12.8511 37.0786 -9.70653 11.4065 -9.0858 7.30662 26.9383 TIMING: 1637600 CPU: 4871.84, 0.00297501/step Wall: 4871.84, 0.00297501/step, 2.77866 hours remaining, 205.539062 MB of memory in use. ENERGY: 1637600 715.5711 2158.3720 1954.4917 95.7283 -205883.3729 17620.4509 0.0000 0.0000 34112.6656 -149226.0933 297.9144 -183338.7589 -149127.0230 298.7744 -125.2679 -94.6526 558668.8491 -0.2966 -0.3248 PRESSURE: 1637800 6.41963 80.3722 -25.8385 80.3726 -27.558 56.3096 -25.8372 56.3098 -232.218 GPRESSURE: 1637800 24.5047 64.696 -123.793 81.5934 26.0043 46.2675 40.5902 57.3421 -198.367 PRESSAVG: 1637800 18.2664 15.6588 -19.5778 15.6588 34.8575 22.6319 -19.5778 22.6319 -54.8711 GPRESSAVG: 1637800 19.4946 14.1022 -20.2435 18.5455 35.0741 21.7765 -21.2769 23.3016 -56.1801 TIMING: 1637800 CPU: 4872.44, 0.00298448/step Wall: 4872.44, 0.00298448/step, 2.78734 hours remaining, 205.660156 MB of memory in use. ENERGY: 1637800 755.6261 2104.0654 1937.3437 127.8971 -206120.8479 17674.2846 0.0000 0.0000 34368.8074 -149152.8237 300.1513 -183521.6311 -149056.3969 299.5276 -84.4522 -49.2859 557985.9922 -0.5824 -0.5371 PRESSURE: 1638000 4.66776 -138.846 102.931 -138.846 -26.1727 -254.079 102.931 -254.078 -14.1927 GPRESSURE: 1638000 50.3404 -101.585 94.2111 -134.93 34.8166 -218.097 45.2431 -170.132 -28.8636 PRESSAVG: 1638000 -49.8263 -15.8529 0.640056 -15.8528 59.9085 24.5726 0.640055 24.5726 -7.33738 GPRESSAVG: 1638000 -50.6534 -15.1224 0.602984 -16.2566 59.0249 25.7433 1.91378 24.0487 -5.75639 TIMING: 1638000 CPU: 4873.03, 0.00296955/step Wall: 4873.03, 0.00296955/step, 2.77323 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: 1638000 758.9949 2154.2224 1946.0580 111.3993 -206230.8329 17803.8589 0.0000 0.0000 34380.6791 -149075.6203 300.2550 -183456.2995 -148978.5533 300.1197 -11.8992 18.7645 559440.6482 0.9149 0.8717 PRESSURE: 1638200 -318.554 100.609 45.9526 100.609 -30.6501 -55.1518 45.9534 -55.1506 -9.4092 GPRESSURE: 1638200 -308.802 74.8198 102.14 95.0042 -10.6144 34.1317 -35.2583 -71.3504 50.0158 PRESSAVG: 1638200 -62.8874 49.1669 -2.07739 49.1669 33.2391 -8.07477 -2.0774 -8.07487 22.3746 GPRESSAVG: 1638200 -62.3359 48.707 -1.52133 48.7571 33.408 -6.28788 -1.33837 -9.62234 20.8591 TIMING: 1638200 CPU: 4873.62, 0.0029745/step Wall: 4873.62, 0.0029745/step, 2.77769 hours remaining, 205.660156 MB of memory in use. ENERGY: 1638200 759.7721 2097.6519 1922.2168 96.0241 -205773.1902 17567.1723 0.0000 0.0000 34260.7228 -149069.6301 299.2074 -183330.3529 -148971.2934 299.9967 -119.5377 -89.8003 559411.3424 -2.4245 -2.6896 PRESSURE: 1638400 -178.892 204.429 -133.147 204.429 -138.344 39.9287 -133.147 39.9263 -295.597 GPRESSURE: 1638400 -158.51 130.265 -62.1463 247.907 -82.7067 33.4057 -178.675 48.5959 -281.003 PRESSAVG: 1638400 -16.0842 29.3989 58.6198 29.3989 -47.7761 -56.0285 58.6198 -56.0285 38.0734 GPRESSAVG: 1638400 -17.0247 29.9402 59.6626 29.3106 -48.5285 -56.4596 54.5147 -53.6323 39.0081 TIMING: 1638400 CPU: 4874.22, 0.00297347/step Wall: 4874.22, 0.00297347/step, 2.77656 hours remaining, 205.660156 MB of memory in use. ENERGY: 1638400 802.3343 2125.6379 1925.9790 108.8557 -205942.4540 17661.3018 0.0000 0.0000 34224.8033 -149093.5420 298.8937 -183318.3452 -149000.8133 300.2661 -204.2774 -174.0731 558411.0081 -8.5956 -8.8484 PRESSURE: 1638600 -76.5713 47.9862 -254.171 47.9872 -88.9476 -12.0578 -254.172 -12.0575 196.066 GPRESSURE: 1638600 -17.3647 -53.6336 -191.846 111.809 -79.1714 -68.0436 -223.137 53.9084 232.222 PRESSAVG: 1638600 18.9049 29.7939 16.1312 29.7939 -17.2739 -11.6611 16.1311 -11.661 -0.207208 GPRESSAVG: 1638600 20.3197 30.6937 14.0811 30.8025 -17.7983 -13.5962 19.5109 -12.2268 -0.648685 TIMING: 1638600 CPU: 4874.82, 0.00298598/step Wall: 4874.82, 0.00298598/step, 2.78807 hours remaining, 205.660156 MB of memory in use. ENERGY: 1638600 715.5846 2133.9274 1947.4938 120.6962 -206491.1850 18009.2128 0.0000 0.0000 34437.7616 -149126.5087 300.7535 -183564.2703 -149041.5708 300.0318 10.1824 45.2288 558509.8140 0.4746 0.6242 PRESSURE: 1638800 -234.101 50.895 96.8609 50.8938 57.9195 -113.715 96.8609 -113.716 248.04 GPRESSURE: 1638800 -172.714 116.161 109.754 -52.8401 104.608 -178.347 134.215 -49.9518 227.2 PRESSAVG: 1638800 25.1084 3.37918 -16.469 3.37916 -5.48918 -3.81488 -16.4691 -3.81484 -14.9584 GPRESSAVG: 1638800 25.0528 2.93762 -15.4699 1.96602 -4.94124 -3.73284 -15.9792 -4.53196 -15.3813 TIMING: 1638800 CPU: 4875.42, 0.00300656/step Wall: 4875.42, 0.00300656/step, 2.80712 hours remaining, 205.660156 MB of memory in use. ENERGY: 1638800 742.7368 2029.9576 1930.8216 118.9692 -206013.0915 17810.7952 0.0000 0.0000 34172.1813 -149207.6297 298.4342 -183379.8110 -149112.0215 299.8134 23.9526 53.0312 558100.8641 1.5536 1.5767 PRESSURE: 1639000 -91.4339 53.6447 -45.8683 53.6464 40.9817 -99.7286 -45.8683 -99.7295 -182.538 GPRESSURE: 1639000 -33.9348 77.7958 64.1563 -33.6783 14.8518 -83.3506 -74.1844 -115.834 -104.886 PRESSAVG: 1639000 -6.29645 3.92825 7.93937 3.92833 -10.3337 -29.5324 7.9393 -29.5324 9.63168 GPRESSAVG: 1639000 -6.8119 3.96857 9.31114 3.32568 -9.64833 -28.5313 6.25941 -28.4275 10.0021 TIMING: 1639000 CPU: 4876.02, 0.00299526/step Wall: 4876.02, 0.00299526/step, 2.79641 hours remaining, 205.660156 MB of memory in use. ENERGY: 1639000 781.1185 2123.2849 1935.0745 115.7877 -206120.0735 17719.8442 0.0000 0.0000 34351.1630 -149093.8007 299.9973 -183444.9637 -149005.1312 299.1544 -77.6634 -41.3231 556481.3703 -2.3328 -2.1527 PRESSURE: 1639200 -163.128 -93.1298 -18.3712 -93.1307 -61.0686 -16.7857 -18.3709 -16.7876 11.5354 GPRESSURE: 1639200 -161.791 -49.6509 16.1252 -34.1782 -34.7025 16.2988 -22.4351 -38.5434 87.2427 PRESSAVG: 1639200 -74.6692 5.11076 32.1154 5.1108 67.4514 -13.134 32.1154 -13.1341 27.5141 GPRESSAVG: 1639200 -74.645 6.23144 30.1655 6.56141 66.3489 -13.0095 34.0471 -13.9927 28.7745 TIMING: 1639200 CPU: 4876.62, 0.00300106/step Wall: 4876.62, 0.00300106/step, 2.80165 hours remaining, 205.660156 MB of memory in use. ENERGY: 1639200 741.0886 2111.7770 1919.8241 112.9055 -205950.5708 17665.9973 0.0000 0.0000 34194.9132 -149204.0651 298.6327 -183398.9783 -149103.8581 298.9741 -70.8871 -36.4170 558652.0165 6.7655 6.8261 PRESSURE: 1639400 16.321 81.4434 -46.7931 81.4433 -216.73 46.428 -46.7931 46.4279 -244.167 GPRESSURE: 1639400 37.2324 56.7725 -81.7116 126.81 -187.741 31.7355 24.0303 -7.81215 -197.012 PRESSAVG: 1639400 -27.7835 3.98641 11.4229 3.98637 -5.30054 16.3272 11.423 16.3272 20.4735 GPRESSAVG: 1639400 -27.5503 3.1757 11.4372 2.78783 -4.23601 13.7252 11.2211 18.1533 18.8876 TIMING: 1639400 CPU: 4877.21, 0.00299022/step Wall: 4877.21, 0.00299022/step, 2.79137 hours remaining, 205.660156 MB of memory in use. ENERGY: 1639400 711.3523 2106.6585 1927.1418 112.8103 -205966.3340 17578.8126 0.0000 0.0000 34263.5044 -149266.0540 299.2317 -183529.5584 -149167.1509 298.8358 -148.1921 -115.8402 557670.3989 -4.2035 -4.2996 PRESSURE: 1639600 -24.675 227.627 123.907 227.627 -120.101 14.2963 123.907 14.2981 112.259 GPRESSURE: 1639600 0.640873 222.995 91.4311 139.968 -61.9416 20.2773 127.622 12.1212 128.379 PRESSAVG: 1639600 -45.9653 30.0691 8.89836 30.069 -11.2388 -11.9693 8.89834 -11.9693 23.8077 GPRESSAVG: 1639600 -46.7881 28.9147 8.88903 30.6144 -10.7027 -11.3331 7.42919 -13.2995 24.4246 TIMING: 1639600 CPU: 4877.81, 0.00300042/step Wall: 4877.81, 0.00300042/step, 2.80072 hours remaining, 205.660156 MB of memory in use. ENERGY: 1639600 736.0504 2116.1482 1921.9459 116.2969 -206146.1597 17790.9430 0.0000 0.0000 34071.8995 -149392.8757 297.5584 -183464.7752 -149296.0881 298.7907 -10.8388 22.3593 556497.8484 -11.1321 -11.0220 PRESSURE: 1639800 -35.8096 -175.018 -179.658 -175.018 -278.464 102.81 -179.658 102.809 -110.048 GPRESSURE: 1639800 -5.94529 -161.678 -178.483 -73.7483 -254.855 82.6897 -212.528 120.637 -54.0462 PRESSAVG: 1639800 -44.9805 31.9332 -4.85748 31.9331 -36.7392 -14.2288 -4.85748 -14.2287 37.8358 GPRESSAVG: 1639800 -44.5259 32.9145 -4.71989 31.8852 -37.2007 -13.6582 -5.55362 -13.3534 37.9353 TIMING: 1639800 CPU: 4878.41, 0.0029858/step Wall: 4878.41, 0.0029858/step, 2.78691 hours remaining, 205.660156 MB of memory in use. ENERGY: 1639800 794.1617 2109.7926 1916.2066 120.9146 -206657.3438 17840.5185 0.0000 0.0000 34375.7500 -149499.9997 300.2120 -183875.7497 -149398.1925 298.5655 -141.4407 -104.9488 556430.0384 -14.6280 -14.5971 PRESSURE: 1640000 -78.987 -131.264 -183.811 -131.264 255.081 -152.697 -183.812 -152.698 25.5007 GPRESSURE: 1640000 -112.29 -98.8979 -76.0391 -157.16 392.708 -230.473 -234.246 -132.624 20.0392 PRESSAVG: 1640000 -15.6683 18.7863 -86.6885 18.7863 -22.7797 -7.23145 -86.6887 -7.2316 60.6028 GPRESSAVG: 1640000 -15.6243 19.1466 -84.7248 17.6483 -23.62 -7.63623 -86.1245 -7.04948 61.1796 TIMING: 1640000 CPU: 4879.01, 0.0029708/step Wall: 4879.01, 0.0029708/step, 2.77275 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: 1640000 764.4360 2115.8572 1931.3594 118.0655 -206684.8477 17983.1721 0.0000 0.0000 34038.7535 -149733.2040 297.2689 -183771.9575 -149626.1806 298.0890 67.1982 100.1522 556377.5229 7.3849 7.3118 PRESSURE: 1640200 37.8444 -50.9706 109.083 -50.9697 -173.215 -38.3613 109.082 -38.3592 84.4768 GPRESSURE: 1640200 14.3585 -28.6155 207.779 -113.991 -115.462 60.4623 56.393 7.64909 142.615 PRESSAVG: 1640200 -42.5388 -4.12408 -25.3642 -4.12409 9.9406 30.3201 -25.3642 30.3201 34.9662 GPRESSAVG: 1640200 -42.999 -6.01121 -27.2301 -2.19762 10.0091 31.5847 -23.2591 29.8069 35.2754 TIMING: 1640200 CPU: 4879.6, 0.00298226/step Wall: 4879.6, 0.00298226/step, 2.78328 hours remaining, 205.660156 MB of memory in use. ENERGY: 1640200 747.0406 2091.6908 1960.8584 118.7327 -206537.1577 17807.6675 0.0000 0.0000 34036.7463 -149774.4214 297.2514 -183811.1676 -149670.7587 297.8265 -16.9645 13.8371 557189.8859 0.7893 0.7618 LDB: ============= START OF LOAD BALANCING ============== 4883.03 LDB: ============== END OF LOAD BALANCING =============== 4883.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4883.03 LDB: ============= START OF LOAD BALANCING ============== 4883.33 LDB: Largest compute 4821 load 0.026903 is 22.8% of average load 0.118138 LDB: Average compute 0.001720 is 1.5% of average load 0.118138 LDB: TIME 4883.33 LOAD: AVG 0.118138 MAX 0.2013 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.074 MB LDB: TIME 4883.33 LOAD: AVG 0.118138 MAX 0.2013 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.148 MB LDB: TIME 4883.33 LOAD: AVG 0.118138 MAX 0.2013 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.148 MB LDB: ============== END OF LOAD BALANCING =============== 4883.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4883.34 PRESSURE: 1640400 -147.722 -31.1541 101.287 -31.1532 -14.3676 30.5665 101.289 30.5682 142.633 GPRESSURE: 1640400 -73.9447 -31.4997 26.1349 -26.0302 45.8578 56.8868 211.138 39.1178 110.908 PRESSAVG: 1640400 -62.2506 -23.3107 -7.71985 -23.3105 46.2314 45.6674 -7.71979 45.6675 20.6398 GPRESSAVG: 1640400 -62.2616 -22.3689 -7.00865 -23.4799 46.4078 46.8462 -7.2872 44.5927 19.6811 TIMING: 1640400 CPU: 4880.21, 0.00303405/step Wall: 4880.21, 0.00303405/step, 2.83144 hours remaining, 207.910156 MB of memory in use. ENERGY: 1640400 744.4774 2102.4251 1947.4004 106.1504 -206266.5851 17807.6918 0.0000 0.0000 34126.7116 -149431.7284 298.0371 -183558.4400 -149338.5128 297.8559 -6.4855 27.6069 558356.5091 1.5402 1.2758 PRESSURE: 1640600 257.536 67.6718 33.7152 67.6716 -107.465 31.3265 33.7144 31.3271 2.90066 GPRESSURE: 1640600 307.244 131.363 138.065 -11.8325 -57.7491 31.07 -19.8589 -18.2452 7.44246 PRESSAVG: 1640600 -19.2121 9.30755 -21.4685 9.30754 -6.58013 45.4238 -21.4685 45.4237 15.0417 GPRESSAVG: 1640600 -19.4589 11.5388 -21.1989 7.59638 -7.35077 42.3527 -23.1688 44.9717 15.8658 TIMING: 1640600 CPU: 4880.8, 0.00297608/step Wall: 4880.8, 0.00297608/step, 2.77718 hours remaining, 208.109375 MB of memory in use. ENERGY: 1640600 747.2411 2080.2599 1954.9802 101.1117 -206681.6585 18049.5947 0.0000 0.0000 34085.4628 -149663.0080 297.6768 -183748.4709 -149568.3420 298.5582 50.9906 85.6459 556227.2615 -3.5835 -3.6480 PRESSURE: 1640800 80.549 43.6803 109.072 43.6808 65.0666 106.846 109.071 106.848 -39.5483 GPRESSURE: 1640800 123.409 84.5619 169.603 111.277 73.4384 110.86 54.6402 165.958 4.37825 PRESSAVG: 1640800 -8.99156 -31.4676 9.71385 -31.4676 32.2671 36.561 9.7138 36.5609 22.2362 GPRESSAVG: 1640800 -8.71793 -33.787 10.015 -30.0579 32.7591 38.3851 9.78837 37.3654 21.7947 TIMING: 1640800 CPU: 4881.4, 0.0029785/step Wall: 4881.4, 0.00297851/step, 2.77928 hours remaining, 208.109375 MB of memory in use. ENERGY: 1640800 712.4662 2111.0628 1916.9111 118.8385 -206236.6059 17574.9294 0.0000 0.0000 34170.2899 -149632.1081 298.4176 -183802.3979 -149539.4654 298.1877 35.3558 67.0750 555667.7503 15.1706 15.2786 PRESSURE: 1641000 177.84 -85.5811 8.02444 -85.5827 389.2 -146.508 8.02417 -146.508 181.899 GPRESSURE: 1641000 174.013 -95.9936 -33.4946 -21.82 432.21 -61.1177 30.7763 -160.971 236.476 PRESSAVG: 1641000 -26.3304 -25.5566 20.2715 -25.5567 -26.666 1.76838 20.2716 1.7685 59.6616 GPRESSAVG: 1641000 -27.4204 -26.5369 19.3938 -25.3405 -25.8185 1.58699 21.1521 1.9018 59.7206 TIMING: 1641000 CPU: 4881.99, 0.00296041/step Wall: 4881.99, 0.00296041/step, 2.76222 hours remaining, 208.109375 MB of memory in use. ENERGY: 1641000 724.8927 2120.1283 1926.8460 104.8349 -206541.4957 18091.9433 0.0000 0.0000 34070.1951 -149502.6554 297.5435 -183572.8505 -149408.9617 298.0520 249.6461 280.8994 556629.2770 2.2217 2.1606 PRESSURE: 1641200 9.73879 273.042 66.6941 273.041 -110.386 31.4818 66.6941 31.4799 -7.35972 GPRESSURE: 1641200 31.0546 269.585 3.75377 260.793 -34.7568 29.4147 67.3266 103.922 -5.02303 PRESSAVG: 1641200 -47.9185 -44.6226 3.03538 -44.6227 27.3545 -20.6665 3.03538 -20.6666 35.7418 GPRESSAVG: 1641200 -47.3555 -42.8483 4.59904 -45.6714 26.9895 -20.7003 2.18469 -20.3547 35.7579 TIMING: 1641200 CPU: 4882.59, 0.00297281/step Wall: 4882.59, 0.00297281/step, 2.77364 hours remaining, 208.109375 MB of memory in use. ENERGY: 1641200 751.4009 2066.8428 1959.6366 102.2716 -206277.6951 17899.1697 0.0000 0.0000 34075.4166 -149422.9568 297.5891 -183498.3735 -149327.0939 298.1669 -36.0022 -2.9084 556893.9708 5.0593 5.1306 PRESSURE: 1641400 -78.7724 104.194 89.2461 104.193 -132.361 -37.5332 89.2461 -37.5325 -179.614 GPRESSURE: 1641400 -42.2527 103.244 81.8548 73.5328 -123.632 -27.3494 62.7466 35.0548 -125.015 PRESSAVG: 1641400 8.99659 -8.75821 33.4263 -8.75829 63.6358 7.27768 33.4264 7.2776 -50.2651 GPRESSAVG: 1641400 9.9953 -8.14846 32.359 -8.75181 63.6673 6.62075 33.042 7.99442 -51.0615 TIMING: 1641400 CPU: 4883.18, 0.00297549/step Wall: 4883.18, 0.00297549/step, 2.77597 hours remaining, 208.109375 MB of memory in use. ENERGY: 1641400 751.2285 2057.4779 1934.0698 109.9933 -205729.1639 17512.9847 0.0000 0.0000 34197.7285 -149165.6812 298.6573 -183363.4096 -149069.7900 299.2990 -130.2491 -96.9665 557241.2613 7.4558 7.5337 PRESSURE: 1641600 19.8122 -14.8777 -118.192 -14.8774 17.4018 49.2222 -118.193 49.2233 -333.798 GPRESSURE: 1641600 7.36463 68.8909 -236.416 -30.5573 17.2043 -38.1309 -120.234 29.7703 -237.992 PRESSAVG: 1641600 -21.1714 -68.0453 2.89922 -68.0453 81.1407 -16.835 2.89925 -16.8351 -58.0681 GPRESSAVG: 1641600 -21.5946 -68.8626 2.97197 -67.6453 80.1974 -16.757 1.58763 -17.41 -56.3031 TIMING: 1641600 CPU: 4883.78, 0.00298483/step Wall: 4883.78, 0.00298483/step, 2.78451 hours remaining, 208.109375 MB of memory in use. ENERGY: 1641600 713.5213 2088.4845 1991.1197 108.8120 -205865.2059 17546.9858 0.0000 0.0000 34129.2469 -149287.0357 298.0592 -183416.2826 -149184.7813 299.3921 -98.8615 -71.1411 558307.5764 0.6337 0.7665 PRESSURE: 1641800 117.329 -126.134 -55.9564 -126.134 112.429 -149.652 -55.9576 -149.653 -93.4333 GPRESSURE: 1641800 197.643 -100.669 -115.957 -128.594 70.9685 -131.033 -97.3617 -121.084 -37.705 PRESSAVG: 1641800 -14.2534 6.79535 -13.6689 6.79526 14.4709 -8.21193 -13.669 -8.21188 -11.817 GPRESSAVG: 1641800 -13.9714 7.32528 -15.7106 6.78227 14.7133 -6.62043 -11.3845 -7.90692 -12.7471 TIMING: 1641800 CPU: 4884.38, 0.00299848/step Wall: 4884.38, 0.00299848/step, 2.79708 hours remaining, 208.109375 MB of memory in use. ENERGY: 1641800 744.9835 2098.8903 1935.7885 117.6207 -206305.9335 17920.7668 0.0000 0.0000 34133.0602 -149354.8235 298.0925 -183487.8837 -149258.3185 298.8191 45.4415 76.9687 557677.4695 -3.8665 -4.0017 PRESSURE: 1642000 354.707 -45.9951 -55.5077 -45.9968 281.655 -112.451 -55.508 -112.452 162.136 GPRESSURE: 1642000 405.898 -53.0284 -57.1232 -19.955 273.77 -23.9776 -32.9693 -141.079 201.306 PRESSAVG: 1642000 -55.9248 -68.1055 -11.6889 -68.1054 24.6635 -26.5889 -11.6889 -26.5889 -31.5773 GPRESSAVG: 1642000 -56.0621 -68.6509 -10.2514 -67.2577 25.4581 -26.6823 -13.7418 -27.781 -31.9228 TIMING: 1642000 CPU: 4884.97, 0.00297246/step Wall: 4884.97, 0.00297246/step, 2.77265 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: 1642000 714.5869 2118.7593 1970.4636 124.7275 -206465.8422 18071.1906 0.0000 0.0000 34048.1570 -149417.9572 297.3510 -183466.1142 -149323.6454 298.0394 266.1661 293.6582 555193.7051 -20.9462 -20.8423 PRESSURE: 1642200 37.5106 -114.427 11.43 -114.427 31.7192 0.406073 11.43 0.406212 -16.302 GPRESSURE: 1642200 54.2719 -140.988 4.38324 -101.237 40.3716 35.026 54.8432 -105.006 51.0281 PRESSAVG: 1642200 29.2298 -19.6379 3.66988 -19.638 -39.2096 -16.7132 3.66985 -16.7132 -6.99968 GPRESSAVG: 1642200 28.7518 -20.225 7.30237 -19.1758 -38.6406 -16.6925 3.02679 -17.0918 -7.16513 TIMING: 1642200 CPU: 4885.57, 0.00297467/step Wall: 4885.57, 0.00297467/step, 2.77454 hours remaining, 208.109375 MB of memory in use. ENERGY: 1642200 760.8601 2144.0010 1951.6463 103.6925 -206666.1667 18086.0903 0.0000 0.0000 34212.2212 -149407.6552 298.7838 -183619.8764 -149311.4383 298.6425 17.6426 48.5572 557304.7338 -5.6598 -5.6846 PRESSURE: 1642400 225.641 -13.6 33.1422 -13.5997 104.516 -79.6965 33.1417 -79.6957 -37.7624 GPRESSURE: 1642400 220.2 -7.58183 39.9177 -23.4078 166.708 -12.5795 5.67513 -51.5639 1.0897 PRESSAVG: 1642400 23.628 36.2868 -12.3877 36.2867 -10.1739 23.9325 -12.3876 23.9326 -27.1604 GPRESSAVG: 1642400 24.074 37.1028 -13.0568 33.95 -10.8223 21.3192 -11.142 27.0137 -26.8558 TIMING: 1642400 CPU: 4886.17, 0.00298764/step Wall: 4886.17, 0.00298764/step, 2.78647 hours remaining, 208.109375 MB of memory in use. ENERGY: 1642400 761.5079 2036.2314 1952.9520 114.5640 -206475.8544 18082.9730 0.0000 0.0000 34298.7128 -149228.9134 299.5392 -183527.6262 -149131.9727 298.7158 97.4650 129.3328 557675.9471 -4.5688 -4.5347 PRESSURE: 1642600 -107.929 -88.4448 -21.1581 -88.4468 -212.675 43.9127 -21.1577 43.9133 -17.1594 GPRESSURE: 1642600 -69.3086 -111.845 87.462 -98.28 -155.594 76.4186 -49.5899 69.9207 -13.7416 PRESSAVG: 1642600 0.0555908 -29.8212 -20.2328 -29.8212 -36.604 38.39 -20.2327 38.3901 35.0248 GPRESSAVG: 1642600 0.154614 -31.0623 -20.8743 -29.3976 -35.9206 40.7356 -21.3203 37.3126 34.6291 TIMING: 1642600 CPU: 4886.77, 0.00300422/step Wall: 4886.77, 0.00300422/step, 2.80177 hours remaining, 208.109375 MB of memory in use. ENERGY: 1642600 717.1317 2104.6850 1959.3412 103.4890 -206189.1939 17724.6967 0.0000 0.0000 34107.1420 -149472.7082 297.8662 -183579.8502 -149370.1489 298.6077 -112.5879 -79.5482 558578.0779 -0.5079 -0.3790 PRESSURE: 1642800 -1.64759 -102.751 -111.18 -102.751 121.015 45.012 -111.181 45.0124 -63.315 GPRESSURE: 1642800 26.3997 -4.90935 -64.0925 -170.546 208.192 56.3269 -58.1821 55.3447 -87.6403 PRESSAVG: 1642800 -74.5451 4.86371 -22.0062 4.86389 13.7779 20.5573 -22.0063 20.5574 71.7359 GPRESSAVG: 1642800 -75.1548 6.94234 -23.6424 5.35779 12.6166 20.9437 -21.6811 18.9444 72.8345 TIMING: 1642800 CPU: 4887.37, 0.00300513/step Wall: 4887.37, 0.00300513/step, 2.80245 hours remaining, 208.109375 MB of memory in use. ENERGY: 1642800 727.9384 2088.5070 1944.9305 106.6119 -206333.0388 17865.0759 0.0000 0.0000 34176.8118 -149423.1633 298.4746 -183599.9751 -149327.0038 298.3815 18.6842 48.9836 558209.1112 3.6562 3.4321 PRESSURE: 1643000 -157.384 100.925 37.7414 100.925 48.1776 75.7483 37.7399 75.7478 108.882 GPRESSURE: 1643000 -105.014 82.7535 -0.663917 61.7614 59.2166 22.719 49.0246 39.5463 139.034 PRESSAVG: 1643000 27.0517 -3.04153 -23.6038 -3.0415 -37.1114 -5.5443 -23.6037 -5.54445 -15.4701 GPRESSAVG: 1643000 27.0477 -2.44125 -23.4667 -3.90268 -37.684 -7.72893 -24.081 -3.62852 -15.0651 TIMING: 1643000 CPU: 4887.96, 0.00298388/step Wall: 4887.96, 0.00298388/step, 2.78246 hours remaining, 208.109375 MB of memory in use. ENERGY: 1643000 734.1312 2077.8293 1943.3281 120.4579 -206433.3510 17938.6319 0.0000 0.0000 34189.3251 -149429.6474 298.5839 -183618.9725 -149331.1304 298.6978 -0.1082 31.0789 559415.1783 -8.5099 -8.5672 PRESSURE: 1643200 82.1841 -67.9489 -80.9637 -67.9487 -24.085 -118.524 -80.9631 -118.525 -23.0028 GPRESSURE: 1643200 76.6395 -12.1419 -65.2736 -33.056 21.0845 -123.603 -110.474 -63.3545 28.518 PRESSAVG: 1643200 44.9748 15.6253 -62.0192 15.6253 43.4863 7.2477 -62.0192 7.24788 -57.3608 GPRESSAVG: 1643200 45.6905 11.584 -62.1701 18.6664 43.7149 8.00644 -59.1986 8.8105 -58.1392 TIMING: 1643200 CPU: 4888.56, 0.00298774/step Wall: 4888.56, 0.00298774/step, 2.7859 hours remaining, 208.109375 MB of memory in use. ENERGY: 1643200 732.6333 2139.1964 1941.3803 113.0428 -206486.5976 17824.1569 0.0000 0.0000 34278.4499 -149457.7380 299.3622 -183736.1879 -149361.4815 298.2384 11.6988 42.0806 558582.5440 10.3668 10.4221 PRESSURE: 1643400 -280.968 13.0257 2.82688 13.0251 182.708 120.708 2.82691 120.707 20.3471 GPRESSURE: 1643400 -165.008 22.0893 -6.39129 -97.7785 201.391 112.284 -46.2351 155.746 -4.92567 PRESSAVG: 1643400 7.22889 10.1225 33.1224 10.1224 11.7584 3.88539 33.1224 3.8854 10.3409 GPRESSAVG: 1643400 6.58429 13.3349 33.6941 7.76513 13.9323 4.35451 31.7834 3.47029 9.35402 TIMING: 1643400 CPU: 4889.16, 0.00298857/step Wall: 4889.16, 0.00298857/step, 2.78651 hours remaining, 208.109375 MB of memory in use. ENERGY: 1643400 728.5131 2108.2009 1933.6224 124.0616 -206283.5414 17882.2980 0.0000 0.0000 34086.5548 -149420.2906 297.6864 -183506.8454 -149331.8615 298.3676 -25.9712 10.4855 558225.9818 9.7761 9.9569 PRESSURE: 1643600 115.484 -10.1095 -45.5793 -10.1087 107.716 -76.9254 -45.5804 -76.923 95.7975 GPRESSURE: 1643600 67.1968 -32.9083 2.77703 48.9026 127.316 -42.9676 -62.2895 -88.0066 224.715 PRESSAVG: 1643600 -1.41006 -1.84904 24.9409 -1.8491 55.2973 32.7505 24.9409 32.7504 -20.4181 GPRESSAVG: 1643600 -3.33204 -4.62824 25.4828 -0.395678 55.1137 32.9547 23.596 31.3962 -18.5708 TIMING: 1643600 CPU: 4889.76, 0.0029786/step Wall: 4889.76, 0.0029786/step, 2.77705 hours remaining, 208.109375 MB of memory in use. ENERGY: 1643600 745.7693 2071.1625 1945.7922 109.8048 -206406.6229 18028.1660 0.0000 0.0000 34150.8628 -149355.0654 298.2480 -183505.9282 -149255.2419 298.7397 106.3326 139.7429 558235.7261 11.1564 11.0703 PRESSURE: 1643800 135.74 -42.4678 -115.679 -42.467 86.268 120.616 -115.68 120.615 28.3311 GPRESSURE: 1643800 147.767 -163.946 -93.5654 30.8127 154.458 139.607 -100.946 136.794 48.562 PRESSAVG: 1643800 6.30395 -8.30783 19.3462 -8.30776 3.49229 2.7973 19.3462 2.79741 -8.23187 GPRESSAVG: 1643800 7.46802 -5.06913 20.5087 -9.34748 2.75976 3.27767 21.0004 2.24213 -8.63879 TIMING: 1643800 CPU: 4890.35, 0.00299396/step Wall: 4890.35, 0.00299396/step, 2.7912 hours remaining, 208.109375 MB of memory in use. ENERGY: 1643800 750.1558 2097.1826 1938.6950 99.5040 -206475.4377 18079.4537 0.0000 0.0000 34144.7210 -149365.7256 298.1943 -183510.4466 -149268.7127 298.1976 83.4463 116.9289 558988.5852 0.5215 0.5297 PRESSURE: 1644000 113.523 -123.937 33.9179 -123.936 241.521 -82.2311 33.9176 -82.2305 213.141 GPRESSURE: 1644000 195.767 -142.053 79.5738 -113.218 261.035 -120.58 -42.7988 -27.0076 194.92 PRESSAVG: 1644000 29.8507 -10.8842 -113.743 -10.8843 -3.62177 52.7434 -113.743 52.7435 -7.74238 GPRESSAVG: 1644000 28.9016 -12.438 -114.295 -10.367 -4.00116 51.9824 -113.113 53.8515 -6.33618 TIMING: 1644000 CPU: 4890.95, 0.00300062/step Wall: 4890.95, 0.00300062/step, 2.79724 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: 1644000 731.5196 2125.3849 1929.8086 115.6564 -206113.5663 17971.6987 0.0000 0.0000 34131.3485 -149108.1497 298.0776 -183239.4982 -149014.5129 299.4013 189.3949 217.2406 558674.6021 6.1622 6.1881 PRESSURE: 1644200 107.385 -2.38826 -1.01162 -2.38959 -162.363 -63.1383 -1.01262 -63.1382 -153.55 GPRESSURE: 1644200 111.863 15.694 31.0744 3.87716 -129.846 -29.3074 25.1416 -37.4037 -96.9369 PRESSAVG: 1644200 13.9484 -15.6045 12.5212 -15.6045 -86.5162 50.579 12.5212 50.5791 33.2689 GPRESSAVG: 1644200 14.7234 -14.5412 11.7603 -15.7725 -86.1067 49.7251 11.127 49.8085 32.6199 TIMING: 1644200 CPU: 4891.55, 0.00298245/step Wall: 4891.55, 0.00298245/step, 2.78014 hours remaining, 208.109375 MB of memory in use. ENERGY: 1644200 737.1065 2133.4811 1922.5413 111.8317 -205981.1200 17555.3953 0.0000 0.0000 34381.2632 -149139.5010 300.2601 -183520.7642 -149039.3878 299.2830 -69.5095 -38.3065 559400.9112 -13.0996 -12.9212 LDB: ============= START OF LOAD BALANCING ============== 4894.98 LDB: ============== END OF LOAD BALANCING =============== 4894.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4894.98 LDB: ============= START OF LOAD BALANCING ============== 4895.28 LDB: Largest compute 4821 load 0.025603 is 21.7% of average load 0.118024 LDB: Average compute 0.001715 is 1.5% of average load 0.118024 LDB: TIME 4895.28 LOAD: AVG 0.118024 MAX 0.19971 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.41 MB LDB: TIME 4895.28 LOAD: AVG 0.118024 MAX 0.19971 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.41 MB LDB: TIME 4895.28 LOAD: AVG 0.118024 MAX 0.19971 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.41 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4895.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4895.29 PRESSURE: 1644400 -73.9465 96.822 54.9229 96.8222 -117.39 62.9079 54.9222 62.9086 -117.686 GPRESSURE: 1644400 -69.8029 85.2759 64.3916 104.87 -83.4804 29.2098 96.5769 -3.75863 -55.8713 PRESSAVG: 1644400 -29.1197 38.3139 -33.3589 38.314 1.36111 41.4247 -33.359 41.4247 16.3248 GPRESSAVG: 1644400 -29.6385 35.5581 -32.0656 39.3037 1.34266 40.9004 -33.2313 42.2074 16.6317 TIMING: 1644400 CPU: 4892.16, 0.00304036/step Wall: 4892.16, 0.00304036/step, 2.83395 hours remaining, 206.628906 MB of memory in use. ENERGY: 1644400 774.5850 2177.5387 1940.5031 113.3357 -206099.3258 17719.9749 0.0000 0.0000 34323.4734 -149049.9150 299.7554 -183373.3884 -148956.2237 299.9006 -103.0076 -69.7182 557854.1365 -3.8113 -3.8880 PRESSURE: 1644600 58.8949 -3.34636 -82.1638 -3.34522 -72.1888 -37.0363 -82.1635 -37.038 196.318 GPRESSURE: 1644600 105.802 -4.69796 -37.2972 90.1165 -26.7624 -120.266 -146.35 -24.5418 200.936 PRESSAVG: 1644600 -53.3208 -16.7901 -15.2853 -16.7901 8.72444 -89.2907 -15.2852 -89.2907 36.9957 GPRESSAVG: 1644600 -52.8569 -15.9599 -17.2848 -17.3693 7.921 -86.015 -16.8227 -91.0591 37.8188 TIMING: 1644600 CPU: 4892.75, 0.00297758/step Wall: 4892.75, 0.00297758/step, 2.77527 hours remaining, 206.628906 MB of memory in use. ENERGY: 1644600 728.6048 2135.1905 1945.9635 119.3211 -206344.6396 17892.9402 0.0000 0.0000 34326.0667 -149196.5528 299.7781 -183522.6195 -149098.9647 299.1650 61.0080 93.3252 557131.3452 -2.5336 -2.3724 PRESSURE: 1644800 137.64 -194.102 71.9274 -194.102 -123.964 66.3477 71.9276 66.3472 -125.71 GPRESSURE: 1644800 101.097 -184.881 48.5981 -61.5994 -65.9513 41.5397 43.2775 13.9386 -52.2352 PRESSAVG: 1644800 -50.3088 29.9242 25.2546 29.9244 -39.9663 -1.2585 25.2546 -1.25845 95.7744 GPRESSAVG: 1644800 -50.7643 31.3512 25.8155 28.8676 -38.8527 -1.74518 25.2172 -1.86638 95.3593 TIMING: 1644800 CPU: 4893.35, 0.00299571/step Wall: 4893.35, 0.00299571/step, 2.792 hours remaining, 206.628906 MB of memory in use. ENERGY: 1644800 706.6322 2149.8976 1964.3609 110.4217 -206188.6718 17774.0440 0.0000 0.0000 34187.0803 -149296.2349 298.5643 -183483.3153 -149190.5414 299.7055 -37.3450 -5.6964 559651.2482 1.8331 1.9141 PRESSURE: 1645000 -41.4005 -4.3038 18.9453 -4.30376 71.3228 -75.0816 18.9462 -75.0813 71.014 GPRESSURE: 1645000 -11.76 -10.3335 6.35941 50.2714 58.8989 -94.5855 48.8552 -47.149 143.817 PRESSAVG: 1645000 -49.211 45.7507 2.74877 45.7508 -12.6773 -63.3025 2.74878 -63.3026 74.8072 GPRESSAVG: 1645000 -49.2963 45.3547 2.10495 45.0254 -12.8203 -64.2627 4.48264 -64.3055 74.8147 TIMING: 1645000 CPU: 4893.95, 0.00299732/step Wall: 4893.95, 0.00299732/step, 2.79334 hours remaining, 206.628906 MB of memory in use. ENERGY: 1645000 773.7107 2099.0032 1961.5691 116.5535 -206381.1222 17895.9248 0.0000 0.0000 34219.8600 -149314.5008 298.8505 -183534.3608 -149213.7894 299.4085 33.6454 63.6521 558195.9295 4.3063 4.2327 PRESSURE: 1645200 -258.353 -76.0272 200.216 -76.0268 51.1003 -33.031 200.215 -33.0326 153.011 GPRESSURE: 1645200 -208.594 -83.1967 280.993 -130.657 55.2941 -0.792883 223.214 -46.7842 183.828 PRESSAVG: 1645200 -18.5783 4.51596 25.2322 4.51602 44.1122 -35.2121 25.2322 -35.212 -15.7613 GPRESSAVG: 1645200 -18.3432 3.49048 26.0234 5.27642 45.4055 -34.5371 25.0512 -33.1474 -16.9787 TIMING: 1645200 CPU: 4894.55, 0.00296846/step Wall: 4894.55, 0.00296846/step, 2.76628 hours remaining, 206.628906 MB of memory in use. ENERGY: 1645200 737.0991 2134.4002 1914.6788 115.3434 -206117.6320 17829.4192 0.0000 0.0000 34045.9080 -149340.7834 297.3314 -183386.6914 -149248.2193 298.4700 -18.0806 10.1759 558339.9786 3.2575 3.3612 PRESSURE: 1645400 -99.7405 -81.3623 112.593 -81.3623 -78.7046 273.672 112.593 273.673 152.626 GPRESSURE: 1645400 -87.0229 -19.5377 67.1008 -136.157 -10.7438 142.489 86.4245 299.905 179.541 PRESSAVG: 1645400 -49.2681 27.056 47.7733 27.0561 3.59391 -22.7118 47.7732 -22.712 -5.30899 GPRESSAVG: 1645400 -49.4854 29.2392 47.1753 28.6875 3.51299 -24.6714 47.026 -22.8084 -5.50425 TIMING: 1645400 CPU: 4895.14, 0.00296695/step Wall: 4895.14, 0.00296695/step, 2.76471 hours remaining, 206.628906 MB of memory in use. ENERGY: 1645400 775.5101 2104.9509 1915.7359 103.2886 -206510.7703 18011.2597 0.0000 0.0000 34155.2050 -149444.8202 298.2859 -183600.0252 -149350.0405 298.5771 -8.6065 27.2581 556673.2971 -16.9944 -17.1589 PRESSURE: 1645600 -73.3655 78.288 -110.802 78.2888 -17.2461 29.1133 -110.802 29.1129 163.751 GPRESSURE: 1645600 -53.1296 15.9013 -62.3126 64.7171 42.5495 80.4705 -148.945 28.1133 191.731 PRESSAVG: 1645600 -42.6806 -41.7252 8.51394 -41.7252 1.56342 18.588 8.51394 18.588 69.6651 GPRESSAVG: 1645600 -42.9113 -41.5627 6.38176 -43.6507 0.539951 18.4989 9.43837 18.0414 71.047 TIMING: 1645600 CPU: 4895.74, 0.00300505/step Wall: 4895.74, 0.00300505/step, 2.80004 hours remaining, 206.628906 MB of memory in use. ENERGY: 1645600 768.3697 2067.3213 1926.5750 102.9453 -206458.1143 18055.7992 0.0000 0.0000 34129.4071 -149407.6969 298.0606 -183537.1040 -149306.6380 298.9769 24.3797 60.3836 557965.3975 9.5160 9.5586 PRESSURE: 1645800 25.959 -88.8403 58.0472 -88.8407 223.96 43.8788 58.0459 43.8792 38.9638 GPRESSURE: 1645800 103.653 -134.492 57.0007 5.4265 234.005 131.118 113.549 -7.02799 48.1619 PRESSAVG: 1645800 -77.5431 15.7262 43.7508 15.7262 -24.331 11.2451 43.7508 11.2452 74.7239 GPRESSAVG: 1645800 -77.0082 15.1833 46.677 17.3247 -24.5511 12.4812 41.6255 10.8551 74.7209 TIMING: 1645800 CPU: 4896.34, 0.00299094/step Wall: 4896.34, 0.00299094/step, 2.78672 hours remaining, 206.628906 MB of memory in use. ENERGY: 1645800 731.7423 2130.0908 1930.7173 99.8087 -206572.8183 18106.0910 0.0000 0.0000 34097.9524 -149476.4157 297.7859 -183574.3681 -149373.4991 298.8245 96.2943 128.6069 556995.9345 -9.0501 -8.9462 PRESSURE: 1646000 7.84244 -6.40897 -69.5839 -6.40752 64.7079 -89.8632 -69.5836 -89.863 11.1747 GPRESSURE: 1646000 55.6539 -143.171 -94.0699 46.6631 107.128 -102.647 -108.268 -89.846 11.3766 PRESSAVG: 1646000 0.833711 14.3538 55.4716 14.3537 5.83497 8.11927 55.4717 8.11929 4.65446 GPRESSAVG: 1646000 0.614327 16.4969 55.2276 12.1024 5.58013 6.86045 55.9044 8.36447 4.25102 TIMING: 1646000 CPU: 4896.93, 0.00297158/step Wall: 4896.93, 0.00297158/step, 2.76852 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: 1646000 742.4021 2080.1265 1924.2537 101.0342 -206744.4339 17953.3776 0.0000 0.0000 34387.4555 -149555.7843 300.3142 -183943.2398 -149455.7362 298.4099 27.9083 58.0527 557209.9149 3.7744 3.4818 PRESSURE: 1646200 -456.696 22.7067 104.453 22.7055 -144.259 26.4085 104.453 26.4081 216.745 GPRESSURE: 1646200 -400.913 -60.3686 29.2693 47.949 -115.814 34.5148 148.057 43.2285 239.986 PRESSAVG: 1646200 -21.4342 30.9488 21.6959 30.9488 -51.4846 30.1305 21.6958 30.1305 83.3194 GPRESSAVG: 1646200 -21.1889 28.6265 20.3531 32.7004 -51.952 29.9757 23.1646 30.2426 83.5028 TIMING: 1646200 CPU: 4897.53, 0.00297927/step Wall: 4897.53, 0.00297927/step, 2.77552 hours remaining, 206.628906 MB of memory in use. ENERGY: 1646200 774.4511 2072.8426 1956.9222 134.5962 -206253.9424 17679.8373 0.0000 0.0000 34146.5138 -149488.7792 298.2100 -183635.2929 -149392.2039 298.1304 -128.0698 -92.2469 557937.7818 3.4669 3.4540 PRESSURE: 1646400 -16.1014 -31.9751 19.9658 -31.9761 169.649 -44.4106 19.9644 -44.4087 53.1782 GPRESSURE: 1646400 10.6757 38.9934 -50.1383 -82.8824 156.088 -65.1602 54.4478 -61.9075 143.228 PRESSAVG: 1646400 -51.3238 -1.13427 28.7891 -1.13429 -71.7291 -3.59906 28.789 -3.59891 105.677 GPRESSAVG: 1646400 -51.2913 0.998795 27.9616 -2.32287 -70.7983 -4.4645 28.8198 -2.47036 104.687 TIMING: 1646400 CPU: 4898.12, 0.00297234/step Wall: 4898.12, 0.00297234/step, 2.7689 hours remaining, 206.628906 MB of memory in use. ENERGY: 1646400 727.8216 2069.7912 1946.5588 109.2948 -206538.2370 18121.3904 0.0000 0.0000 34069.7603 -149493.6200 297.5397 -183563.3803 -149387.8671 299.0770 68.9087 103.3306 558466.0983 -5.7919 -5.8008 PRESSURE: 1646600 48.511 -43.7701 63.6228 -43.7711 7.88857 14.1959 63.6236 14.1965 -54.4448 GPRESSURE: 1646600 88.9563 -88.4735 85.993 -10.3175 60.5175 -86.6454 75.2005 78.0374 -50.4027 PRESSAVG: 1646600 -18.7379 28.6684 -28.1404 28.6684 35.2766 -60.1491 -28.1405 -60.1491 42.1053 GPRESSAVG: 1646600 -18.4119 26.4021 -25.8436 30.4473 34.525 -58.4125 -30.5595 -62.0179 42.7595 TIMING: 1646600 CPU: 4898.71, 0.00294717/step Wall: 4898.71, 0.00294717/step, 2.74529 hours remaining, 206.628906 MB of memory in use. ENERGY: 1646600 728.4005 2110.9392 1920.4549 117.3825 -206502.7141 17886.7736 0.0000 0.0000 34256.3091 -149482.4544 299.1689 -183738.7635 -149385.2945 298.2291 0.6516 33.0237 557430.3451 19.5480 19.6242 PRESSURE: 1646800 -140.954 63.7918 -24.529 63.793 -395.191 -16.8071 -24.5297 -16.8077 114.876 GPRESSURE: 1646800 -125.12 112.668 2.79483 60.3247 -365.905 21.7441 24.2739 -2.2825 164.962 PRESSAVG: 1646800 1.58044 23.417 -18.8099 23.4171 -58.3714 -5.92595 -18.8099 -5.92591 52.3346 GPRESSAVG: 1646800 1.67716 24.7026 -19.4683 21.669 -58.0831 -4.53361 -16.5048 -6.32792 52.4977 TIMING: 1646800 CPU: 4899.31, 0.00296074/step Wall: 4899.31, 0.00296074/step, 2.75776 hours remaining, 206.628906 MB of memory in use. ENERGY: 1646800 757.6939 2052.7372 1929.3041 116.4128 -206367.1959 17845.7429 0.0000 0.0000 34356.3907 -149308.9143 300.0429 -183665.3049 -149209.5614 298.7840 -140.4232 -108.6876 559695.0642 -1.4855 -1.3027 PRESSURE: 1647000 -135.702 49.6145 -7.88041 49.6132 -148.49 216.691 -7.87998 216.691 126.581 GPRESSURE: 1647000 -66.1704 -8.96729 -75.0634 93.9937 -145.742 196.14 -8.91298 167.376 148.743 PRESSAVG: 1647000 13.3915 29.7364 8.27324 29.7364 -63.4207 5.79431 8.2732 5.79433 2.24882 GPRESSAVG: 1647000 13.8155 29.9488 9.18118 29.4747 -63.6995 3.36834 6.59804 6.10126 2.15139 TIMING: 1647000 CPU: 4899.9, 0.00296415/step Wall: 4899.9, 0.00296415/step, 2.76078 hours remaining, 206.628906 MB of memory in use. ENERGY: 1647000 748.2920 2052.1469 1935.0641 115.7972 -206359.6362 18045.0217 0.0000 0.0000 34172.2243 -149291.0901 298.4345 -183463.3143 -149188.3091 299.2110 -52.5372 -21.0567 558745.8700 -15.9268 -15.9108 PRESSURE: 1647200 -57.214 -55.7954 139.61 -55.794 -132.893 12.3111 139.61 12.3094 -45.841 GPRESSURE: 1647200 11.8972 -31.0197 103.362 -75.0125 -75.6253 38.0576 210.317 -26.8195 -76.7441 PRESSAVG: 1647200 -7.43832 -28.5634 18.7203 -28.5635 29.5505 -30.9791 18.7203 -30.9791 -25.4313 GPRESSAVG: 1647200 -7.66912 -31.0011 18.2313 -27.9875 30.7928 -30.1614 18.8535 -30.9559 -26.5621 TIMING: 1647200 CPU: 4900.49, 0.002983/step Wall: 4900.49, 0.002983/step, 2.77817 hours remaining, 206.628906 MB of memory in use. ENERGY: 1647200 740.8362 2123.3803 1942.2374 109.0851 -206308.1889 17796.9775 0.0000 0.0000 34412.1286 -149183.5437 300.5297 -183595.6723 -149088.7195 299.9121 -78.6494 -46.8241 558160.7073 -1.1064 -1.1461 PRESSURE: 1647400 -141.048 7.39472 -232.793 7.39576 30.9908 65.5196 -232.793 65.5205 -67.5527 GPRESSURE: 1647400 -99.6363 -20.4443 -217.727 22.046 16.4023 72.6854 -184.243 49.5393 4.02853 PRESSAVG: 1647400 -33.1424 -50.4751 55.5996 -50.475 39.1805 -51.1344 55.5996 -51.1344 -1.91161 GPRESSAVG: 1647400 -33.5126 -48.4462 54.0985 -51.5365 38.3628 -50.6101 56.3457 -51.7141 -0.447263 TIMING: 1647400 CPU: 4901.09, 0.00297431/step Wall: 4901.09, 0.00297431/step, 2.76991 hours remaining, 206.628906 MB of memory in use. ENERGY: 1647400 721.1115 2131.4007 1917.8245 116.4330 -206218.1627 17724.5187 0.0000 0.0000 34336.9268 -149269.9475 299.8729 -183606.8743 -149173.7674 299.5965 -59.2033 -26.4018 558396.9561 1.3755 1.4676 PRESSURE: 1647600 36.8195 -29.6378 -29.0373 -29.6381 -65.0731 -9.64808 -29.0381 -9.6486 -7.4876 GPRESSURE: 1647600 56.5339 99.5418 2.72541 -48.2859 -44.2608 37.8689 -12.2822 -26.2364 68.4943 PRESSAVG: 1647600 2.93769 3.64977 -47.064 3.64972 45.1589 17.3964 -47.064 17.3965 -24.3792 GPRESSAVG: 1647600 3.86294 3.83141 -46.0609 2.24763 45.4209 17.0019 -49.0172 17.533 -25.6866 TIMING: 1647600 CPU: 4901.69, 0.00298252/step Wall: 4901.69, 0.00298252/step, 2.77739 hours remaining, 206.628906 MB of memory in use. ENERGY: 1647600 768.2681 2095.6707 1949.7868 111.6492 -205987.1524 17700.2930 0.0000 0.0000 34248.2710 -149113.2136 299.0987 -183361.4846 -149015.4774 299.5264 -11.9137 26.9225 557801.2699 7.9058 7.8658 PRESSURE: 1647800 110.073 -144.4 -36.6635 -144.4 86.8088 -141.302 -36.6632 -141.301 -200.078 GPRESSURE: 1647800 64.9023 -119.474 -34.6732 -139.162 126.47 -129.773 -26.1632 -35.2525 -99.5727 PRESSAVG: 1647800 6.21317 8.13966 -7.57684 8.13977 8.07249 -43.5973 -7.57685 -43.5972 -29.7388 GPRESSAVG: 1647800 5.83669 7.16244 -6.70144 9.0335 7.50605 -44.008 -5.68847 -40.1476 -29.2363 TIMING: 1647800 CPU: 4902.28, 0.00297126/step Wall: 4902.28, 0.00297126/step, 2.76674 hours remaining, 206.628906 MB of memory in use. ENERGY: 1647800 779.6415 2106.2196 1945.4439 119.1066 -206460.2968 17867.0788 0.0000 0.0000 34288.1579 -149354.6485 299.4470 -183642.8064 -149257.8090 299.4659 -1.0654 30.5999 556997.4246 -5.1511 -5.2979 PRESSURE: 1648000 -220.184 42.6903 72.4984 42.6906 120.94 -14.1737 72.4969 -14.1748 346.522 GPRESSURE: 1648000 -176.287 52.6808 93.6318 -3.5336 147.729 30.4483 40.99 -63.8509 360.333 PRESSAVG: 1648000 -17.2228 23.048 -31.7325 23.0481 -39.292 -30.3754 -31.7326 -30.3756 64.7302 GPRESSAVG: 1648000 -18.3475 23.2169 -32.2595 24.1393 -39.3574 -30.21 -33.1692 -33.1276 65.8729 TIMING: 1648000 CPU: 4902.87, 0.00296637/step Wall: 4902.87, 0.00296637/step, 2.76202 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: 1648000 749.3374 2128.8406 1935.5007 114.1515 -206373.2556 17970.4243 0.0000 0.0000 34245.1896 -149229.8114 299.0718 -183475.0010 -149137.7460 299.0109 82.4262 110.5916 556537.3324 2.7384 2.7227 PRESSURE: 1648200 33.2051 314.908 170.524 314.909 93.0693 -112.521 170.522 -112.521 247.383 GPRESSURE: 1648200 62.0176 242.835 163.002 324.702 115.674 -177.459 114.526 -69.2462 289.174 PRESSAVG: 1648200 -47.2892 64.5711 25.7699 64.5712 31.9038 19.3907 25.7698 19.3907 61.6083 GPRESSAVG: 1648200 -46.7601 64.6351 26.3158 64.0576 31.578 20.1356 25.9633 18.9849 60.7506 TIMING: 1648200 CPU: 4903.47, 0.00299308/step Wall: 4903.47, 0.00299308/step, 2.78672 hours remaining, 206.628906 MB of memory in use. ENERGY: 1648200 752.4477 2011.8043 1943.4973 115.8920 -206022.9938 17817.5190 0.0000 0.0000 34210.3977 -149171.4358 298.7679 -183381.8336 -149076.6377 299.2280 124.5524 155.6218 555840.6335 15.4076 15.1895 LDB: ============= START OF LOAD BALANCING ============== 4906.9 LDB: ============== END OF LOAD BALANCING =============== 4906.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4906.9 LDB: ============= START OF LOAD BALANCING ============== 4907.2 LDB: Largest compute 4821 load 0.026655 is 22.6% of average load 0.118055 LDB: Average compute 0.001706 is 1.4% of average load 0.118055 LDB: TIME 4907.21 LOAD: AVG 0.118055 MAX 0.200987 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.199 MB LDB: TIME 4907.21 LOAD: AVG 0.118055 MAX 0.200987 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.27 MB LDB: TIME 4907.21 LOAD: AVG 0.118055 MAX 0.200987 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4907.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4907.21 PRESSURE: 1648400 114.066 26.0169 -22.5531 26.0175 284.832 -224.863 -22.5544 -224.863 179.783 GPRESSURE: 1648400 169.526 60.3445 -47.8582 43.1595 301.736 -179.476 -67.684 -239.665 196.335 PRESSAVG: 1648400 -25.1059 55.7097 -12.1677 55.7097 35.5337 -1.32408 -12.1678 -1.3241 -9.39704 GPRESSAVG: 1648400 -25.0295 55.2261 -12.3244 56.4687 35.4042 -1.15725 -11.5851 -3.39505 -9.571 TIMING: 1648400 CPU: 4904.08, 0.00304881/step Wall: 4904.08, 0.00304881/step, 2.83845 hours remaining, 206.835938 MB of memory in use. ENERGY: 1648400 734.4941 2069.9488 1923.9419 120.8734 -206260.2155 17890.7748 0.0000 0.0000 34255.8624 -149264.3203 299.1650 -183520.1826 -149171.7326 298.6575 192.8939 222.5321 555751.1600 0.3436 0.2679 PRESSURE: 1648600 114.642 179.311 29.1692 179.31 11.3018 87.1033 29.1692 87.1041 121.534 GPRESSURE: 1648600 131.266 100.993 65.4678 267.597 54.4156 97.9891 -5.66838 73.3377 148.969 PRESSAVG: 1648600 8.42081 -22.299 -21.7577 -22.299 19.4094 -16.6771 -21.7577 -16.6771 2.26762 GPRESSAVG: 1648600 9.0773 -21.4223 -20.5658 -21.9994 19.5435 -16.7441 -21.2294 -14.4738 0.862689 TIMING: 1648600 CPU: 4904.68, 0.00296871/step Wall: 4904.68, 0.00296871/step, 2.7637 hours remaining, 207.035156 MB of memory in use. ENERGY: 1648600 736.3015 2155.3489 1923.5360 111.6751 -206336.1583 17894.8193 0.0000 0.0000 34418.5645 -149095.9130 300.5859 -183514.4774 -149003.9681 298.8761 82.4925 111.5500 556334.6301 10.0326 9.8278 PRESSURE: 1648800 210.631 31.7147 -49.4583 31.7152 -84.5834 173.705 -49.4579 173.703 -377.775 GPRESSURE: 1648800 224.384 17.4221 4.57861 81.713 -64.5947 232.837 -125.634 23.6751 -317.326 PRESSAVG: 1648800 -6.25763 -5.1631 -15.6099 -5.16305 16.4796 9.05302 -15.6099 9.05301 -28.8953 GPRESSAVG: 1648800 -8.51171 -5.78085 -15.8952 -4.42133 16.7901 7.85332 -17.6318 10.2293 -26.6913 TIMING: 1648800 CPU: 4905.27, 0.00298024/step Wall: 4905.27, 0.00298024/step, 2.77427 hours remaining, 207.035156 MB of memory in use. ENERGY: 1648800 739.2165 2148.8620 1945.2852 94.8726 -205752.6873 17541.1828 0.0000 0.0000 34224.9368 -149058.3314 298.8949 -183283.2681 -148964.9838 299.6834 -83.9092 -52.5121 556591.4927 -6.2244 -6.1376 PRESSURE: 1649000 -87.448 -74.722 185.269 -74.7232 -9.03625 141.477 185.27 141.477 -492.155 GPRESSURE: 1649000 -96.0432 -50.0964 206.687 -94.751 65.8961 79.9535 110.645 191.786 -458.864 PRESSAVG: 1649000 29.443 70.8153 54.3394 70.8152 -14.2672 30.0499 54.3394 30.0498 -60.5323 GPRESSAVG: 1649000 30.6273 70.3169 54.9117 72.1893 -14.4162 31.3635 55.7027 26.4278 -61.3306 TIMING: 1649000 CPU: 4905.87, 0.00300391/step Wall: 4905.87, 0.00300391/step, 2.79614 hours remaining, 207.035156 MB of memory in use. ENERGY: 1649000 750.7144 2109.6020 1894.4055 101.4934 -206032.5998 17616.7902 0.0000 0.0000 34377.5014 -149182.0929 300.2273 -183559.5943 -149082.3650 300.0339 -196.2130 -163.0037 556804.1315 -15.1188 -15.0398 PRESSURE: 1649200 73.8208 20.708 181.89 20.7082 47.6612 1.13839 181.89 1.13744 -156.211 GPRESSURE: 1649200 112.844 50.1578 161.194 -12.3397 64.1701 35.0277 197.833 -16.5271 -110.78 PRESSAVG: 1649200 -13.6517 -8.36406 30.9007 -8.36411 21.6744 22.7304 30.9007 22.7304 -11.9926 GPRESSAVG: 1649200 -14.1485 -6.70728 30.9202 -11.6497 21.4815 22.276 30.1219 24.0016 -11.1639 TIMING: 1649200 CPU: 4906.47, 0.00297265/step Wall: 4906.47, 0.00297265/step, 2.76688 hours remaining, 207.035156 MB of memory in use. ENERGY: 1649200 733.4494 2145.5875 1935.1925 101.5207 -206327.9279 18027.3530 0.0000 0.0000 34290.6502 -149094.1745 299.4688 -183384.8247 -149002.2156 300.1356 -11.5763 22.0781 557856.6608 -1.3233 -1.2770 PRESSURE: 1649400 85.4386 79.2178 28.1629 79.2179 -119.262 -56.0171 28.163 -56.0163 58.8282 GPRESSURE: 1649400 87.4238 152.644 60.6728 -28.858 -45.0983 -96.2541 -32.0989 -41.807 80.7607 PRESSAVG: 1649400 17.7204 0.818197 44.6552 0.818051 -33.567 6.78586 44.6552 6.78588 5.10462 GPRESSAVG: 1649400 18.5678 -0.269125 44.8096 2.38785 -33.7536 6.03821 43.9464 9.69923 4.4924 TIMING: 1649400 CPU: 4907.06, 0.00298623/step Wall: 4907.06, 0.00298623/step, 2.77935 hours remaining, 207.035156 MB of memory in use. ENERGY: 1649400 769.0828 2204.0283 1931.8105 116.3340 -206187.8110 17835.4842 0.0000 0.0000 34276.7002 -149054.3710 299.3469 -183331.0712 -148952.3253 300.3567 8.3348 41.0287 556291.7945 -3.5806 -3.5645 PRESSURE: 1649600 -335.83 108.029 -197.096 108.03 -130.097 -57.365 -197.096 -57.3651 -166.404 GPRESSURE: 1649600 -263.992 67.9763 -201.441 92.259 -119.38 -98.2299 -221.905 4.19407 -140.171 PRESSAVG: 1649600 -19.6135 61.1518 2.73155 61.1518 62.9529 -10.0241 2.73156 -10.0241 1.41247 GPRESSAVG: 1649600 -20.7484 61.4483 2.79774 61.887 62.8833 -8.97012 1.34478 -12.3256 2.53406 TIMING: 1649600 CPU: 4907.66, 0.00299573/step Wall: 4907.66, 0.00299573/step, 2.78803 hours remaining, 207.035156 MB of memory in use. ENERGY: 1649600 780.6126 2148.3520 1909.9258 111.7277 -205523.1328 17464.6290 0.0000 0.0000 34236.9570 -148870.9287 298.9999 -183107.8857 -148774.1877 300.4941 -210.7772 -174.5142 559239.1133 14.9173 14.8896 PRESSURE: 1649800 -50.999 -124.218 -143.403 -124.217 -199.029 -137.236 -143.403 -137.236 -19.4552 GPRESSURE: 1649800 -69.6135 -102.621 -96.2379 -141.122 -116.958 -112.775 -170.936 -151.864 21.7948 PRESSAVG: 1649800 -40.0082 -0.197643 -19.4778 -0.197758 18.7851 8.06466 -19.4778 8.06461 -7.53084 GPRESSAVG: 1649800 -39.9567 0.0663733 -21.9447 -1.09316 18.4218 7.23133 -16.6182 8.55471 -8.02336 TIMING: 1649800 CPU: 4908.26, 0.00298355/step Wall: 4908.26, 0.00298355/step, 2.77652 hours remaining, 207.035156 MB of memory in use. ENERGY: 1649800 768.7558 2142.9686 1948.4488 127.0206 -206357.6786 17792.4658 0.0000 0.0000 34523.4825 -149054.5365 301.5022 -183578.0191 -148954.9439 300.5523 -89.8277 -54.9256 557810.8220 -9.5846 -9.8527 PRESSURE: 1650000 34.7405 -116.872 84.0347 -116.871 -56.9571 165.449 84.0368 165.45 92.6396 GPRESSURE: 1650000 88.5217 -161.676 101.194 -110.831 -26.3464 95.4724 48.3621 135.103 113.812 PRESSAVG: 1650000 19.9158 -1.29491 19.5997 -1.29496 -8.99077 46.8473 19.5997 46.8472 -14.9423 GPRESSAVG: 1650000 18.8309 -0.871979 22.3536 -0.59412 -8.36605 44.4347 18.9426 47.48 -15.1913 TIMING: 1650000 CPU: 4908.86, 0.00300542/step Wall: 4908.86, 0.00300542/step, 2.79671 hours remaining, 207.035156 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: 1650000 731.3571 2165.6273 1939.8189 120.3251 -206163.1592 17852.3351 0.0000 0.0000 34215.9360 -149137.7597 298.8163 -183353.6957 -149041.3511 299.9526 23.4744 58.6625 557506.8508 -1.3391 -1.5755 PRESSURE: 1650200 -219.472 36.7714 11.4833 36.772 -109.133 41.2921 11.484 41.2921 -222.053 GPRESSURE: 1650200 -217.77 49.2319 -15.9658 -1.14926 -43.7765 -29.8418 103.752 115.857 -188.671 PRESSAVG: 1650200 -38.1814 -21.9443 8.68157 -21.9444 -29.4735 -27.9646 8.68161 -27.9646 5.3387 GPRESSAVG: 1650200 -38.3693 -22.5492 8.15251 -23.0783 -29.4075 -25.6819 7.80193 -28.2138 5.20778 TIMING: 1650200 CPU: 4909.46, 0.00299596/step Wall: 4909.46, 0.00299596/step, 2.78774 hours remaining, 207.035156 MB of memory in use. ENERGY: 1650200 746.8615 2129.3809 1962.3631 107.9214 -205513.8121 17350.1964 0.0000 0.0000 34177.1710 -149039.9178 298.4777 -183217.0888 -148940.1668 300.1357 -183.5524 -150.0725 558595.3819 -20.7721 -20.8563 PRESSURE: 1650400 21.9405 -116.034 -56.0186 -116.036 55.1307 -138.299 -56.0198 -138.298 -9.93345 GPRESSURE: 1650400 120.419 -106.113 -6.05095 -93.1716 61.3564 -196.537 -69.486 -72.7897 -12.1195 PRESSAVG: 1650400 -12.6798 -7.71007 19.0509 -7.71001 76.3715 -25.5878 19.0508 -25.5877 13.562 GPRESSAVG: 1650400 -10.7767 -9.10791 19.6497 -4.10057 75.0039 -27.6116 19.2749 -23.1974 13.1328 TIMING: 1650400 CPU: 4910.06, 0.0030058/step Wall: 4910.06, 0.0030058/step, 2.79673 hours remaining, 207.035156 MB of memory in use. ENERGY: 1650400 765.0862 2084.8103 1925.1656 97.9533 -206420.5855 18091.2985 0.0000 0.0000 34421.2260 -149035.0454 300.6091 -183456.2714 -148937.7145 300.0530 22.3793 56.5518 557537.1455 25.7512 25.7867 PRESSURE: 1650600 -215.176 24.5144 31.5895 24.5145 -190.813 -76.269 31.5896 -76.2702 83.1971 GPRESSURE: 1650600 -132.132 28.9486 -34.8214 -39.3516 -158.421 -8.61075 14.7406 -87.2862 60.3477 PRESSAVG: 1650600 -18.2043 4.22014 -2.60527 4.22016 27.8357 -9.12869 -2.60531 -9.12875 23.9025 GPRESSAVG: 1650600 -19.3398 4.98947 -3.71471 0.848546 28.6547 -7.32211 -1.61641 -12.5953 24.5859 TIMING: 1650600 CPU: 4910.67, 0.00302107/step Wall: 4910.67, 0.00302107/step, 2.81077 hours remaining, 207.035156 MB of memory in use. ENERGY: 1650600 755.9788 2095.5523 1947.7557 113.7340 -205978.6176 17580.4571 0.0000 0.0000 34493.8963 -148991.2434 301.2438 -183485.1397 -148893.8615 299.9570 -107.5973 -76.7351 558752.0889 11.1780 11.3003 PRESSURE: 1650800 66.5289 4.17057 0.397725 4.17169 21.8067 -134.502 0.398249 -134.503 29.9513 GPRESSURE: 1650800 88.0118 -2.92582 32.5955 -3.28899 53.9717 -153.354 -17.367 -47.3157 63.8751 PRESSAVG: 1650800 2.80781 -70.272 0.56483 -70.272 -6.89254 18.9371 0.564948 18.9373 16.3795 GPRESSAVG: 1650800 3.09819 -69.2519 2.55777 -71.9253 -6.88764 20.6786 -0.605812 18.0185 16.1651 TIMING: 1650800 CPU: 4911.27, 0.00300227/step Wall: 4911.27, 0.00300227/step, 2.79312 hours remaining, 207.035156 MB of memory in use. ENERGY: 1650800 738.8274 2141.8753 1917.4879 113.6916 -205885.0109 17813.5409 0.0000 0.0000 34221.8542 -148937.7338 298.8680 -183159.5880 -148839.8734 299.6179 39.4290 68.6195 558427.7058 4.0983 4.1252 PRESSURE: 1651000 293.956 -150.72 227.946 -150.72 -81.313 -75.9955 227.946 -75.9958 -116.729 GPRESSURE: 1651000 371.113 -151.131 271.35 -130.338 -72.6072 -133.573 164.414 -38.0104 -96.2534 PRESSAVG: 1651000 22.3287 -35.3465 14.4088 -35.3465 11.5722 -42.7829 14.4089 -42.7827 -42.4244 GPRESSAVG: 1651000 21.4841 -35.9351 13.5846 -32.9658 12.6222 -45.4659 14.5997 -41.8355 -42.3997 TIMING: 1651000 CPU: 4911.86, 0.00297238/step Wall: 4911.86, 0.00297238/step, 2.76514 hours remaining, 207.035156 MB of memory in use. ENERGY: 1651000 752.4457 2107.3414 1935.5605 110.0367 -205921.8898 17762.5456 0.0000 0.0000 34613.1833 -148640.7766 302.2855 -183253.9599 -148543.9010 300.1159 31.9712 67.4174 560377.0276 -2.8412 -2.7645 PRESSURE: 1651200 -68.817 43.1594 -61.2404 43.1594 83.2849 146.921 -61.2393 146.92 -204.159 GPRESSURE: 1651200 -37.8108 -57.8806 -139.049 84.9848 168.926 86.2053 -45.3524 123.601 -223.561 PRESSAVG: 1651200 37.0773 -34.3339 -2.22246 -34.3339 6.40726 15.5613 -2.22244 15.5613 -17.5791 GPRESSAVG: 1651200 38.1068 -35.6003 -2.52453 -34.0713 5.97672 15.5646 -2.40598 14.7851 -17.8021 TIMING: 1651200 CPU: 4912.46, 0.00299034/step Wall: 4912.46, 0.00299034/step, 2.78168 hours remaining, 207.035156 MB of memory in use. ENERGY: 1651200 754.3765 2090.5204 1943.5598 114.1509 -205726.7966 17643.3669 0.0000 0.0000 34503.8047 -148677.0173 301.3303 -183180.8220 -148572.1347 300.8462 -63.2303 -30.8150 557902.9718 8.6351 8.7605 PRESSURE: 1651400 -34.1872 97.4074 -66.801 97.4071 1.42214 66.0953 -66.8007 66.0955 -221.166 GPRESSURE: 1651400 3.73126 129.681 -103.929 110.262 9.76029 117.106 5.47525 41.7405 -172.15 PRESSAVG: 1651400 23.4123 -11.1873 -44.4656 -11.1873 -0.377512 43.4232 -44.4655 43.4233 -4.6773 GPRESSAVG: 1651400 22.1028 -9.79949 -46.6102 -11.4887 -0.704088 46.2249 -43.0111 44.1462 -3.21105 TIMING: 1651400 CPU: 4913.06, 0.00299698/step Wall: 4913.06, 0.00299698/step, 2.78769 hours remaining, 207.035156 MB of memory in use. ENERGY: 1651400 772.2075 2130.0980 1934.4430 118.9479 -205526.9640 17512.2792 0.0000 0.0000 34263.6334 -148795.3550 299.2328 -183058.9883 -148703.1106 300.2121 -84.6437 -52.8862 557205.5248 6.1192 6.0625 PRESSURE: 1651600 -63.13 -50.3669 -108.307 -50.3683 42.3582 124.609 -108.306 124.61 -24.638 GPRESSURE: 1651600 -31.7588 -71.2298 -66.9279 -45.4677 102.826 37.3281 -164.13 185.591 -20.6114 PRESSAVG: 1651600 28.4629 -15.1549 10.7133 -15.1549 15.3995 -2.07311 10.7132 -2.07332 -60.1566 GPRESSAVG: 1651600 28.9762 -15.9954 12.4566 -14.5462 15.5142 -4.04436 8.65826 -3.16924 -60.8002 TIMING: 1651600 CPU: 4913.66, 0.00301021/step Wall: 4913.66, 0.00301021/step, 2.79983 hours remaining, 207.035156 MB of memory in use. ENERGY: 1651600 747.4637 2124.0261 1958.2980 116.8131 -205900.8149 17673.4267 0.0000 0.0000 34343.5432 -148937.2440 299.9307 -183280.7872 -148845.8864 300.3186 -15.1366 16.8186 557023.4392 -5.4314 -5.4366 PRESSURE: 1651800 39.787 -161.819 103.29 -161.819 -110.729 -28.8557 103.29 -28.8567 214.896 GPRESSURE: 1651800 84.5392 -140.808 107.418 -99.4933 -35.8564 51.7261 95.3466 23.8849 190.841 PRESSAVG: 1651800 42.2435 11.535 -15.4397 11.535 50.5039 39.1128 -15.4398 39.1128 -73.5188 GPRESSAVG: 1651800 41.6557 13.3121 -16.7212 11.3017 48.9536 40.7203 -13.7754 38.9913 -71.4522 TIMING: 1651800 CPU: 4914.26, 0.00300068/step Wall: 4914.26, 0.00300068/step, 2.7908 hours remaining, 207.035156 MB of memory in use. ENERGY: 1651800 787.4546 2166.2882 1938.7379 111.8509 -206163.5986 17917.3752 0.0000 0.0000 34318.6174 -148923.2744 299.7130 -183241.8918 -148827.3685 300.1816 47.9845 79.8413 556534.5569 6.4095 6.3857 PRESSURE: 1652000 85.0271 197.532 -72.4218 197.532 92.5303 -88.8398 -72.423 -88.8411 53.3775 GPRESSURE: 1652000 102.131 163.002 -1.83659 217.045 102.75 -56.7633 -53.1765 -172.765 126.51 PRESSAVG: 1652000 99.7782 -39.034 -61.8309 -39.034 -60.8723 7.90662 -61.831 7.90655 15.5688 GPRESSAVG: 1652000 99.5088 -39.6314 -59.4814 -39.9829 -59.334 9.17649 -64.9852 7.5031 13.9061 TIMING: 1652000 CPU: 4914.86, 0.00299308/step Wall: 4914.86, 0.00299308/step, 2.78356 hours remaining, 207.035156 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: 1652000 727.7446 2113.3177 1933.8853 120.3834 -206069.4977 17835.9176 0.0000 0.0000 34665.4338 -148672.8153 302.7419 -183338.2492 -148572.7882 300.9760 76.9783 110.4638 557643.8363 18.1582 18.0270 PRESSURE: 1652200 81.6031 91.4564 105.355 91.4572 22.8789 -94.5251 105.355 -94.5259 140.248 GPRESSURE: 1652200 131.568 91.9892 167.856 94.5037 47.147 -128.747 144.188 -64.4236 153.131 PRESSAVG: 1652200 -6.07772 30.5857 -66.4131 30.5857 -1.53906 -23.397 -66.413 -23.397 -0.884059 GPRESSAVG: 1652200 -4.21773 31.0267 -67.2576 29.5265 -2.42673 -24.3915 -65.2572 -22.1448 -1.54733 TIMING: 1652200 CPU: 4915.46, 0.00297945/step Wall: 4915.46, 0.00297945/step, 2.77072 hours remaining, 207.035156 MB of memory in use. ENERGY: 1652200 774.0722 2083.1276 1930.6484 114.5026 -206080.4377 17828.6992 0.0000 0.0000 34528.5409 -148820.8469 301.5463 -183349.3878 -148717.3519 300.7816 81.5766 110.6151 556205.9644 -2.8336 -2.7306 LDB: ============= START OF LOAD BALANCING ============== 4918.88 LDB: ============== END OF LOAD BALANCING =============== 4918.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4918.88 LDB: ============= START OF LOAD BALANCING ============== 4919.18 LDB: Largest compute 4821 load 0.025852 is 21.9% of average load 0.118050 LDB: Average compute 0.001703 is 1.4% of average load 0.118050 LDB: TIME 4919.18 LOAD: AVG 0.11805 MAX 0.200965 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 4919.18 LOAD: AVG 0.11805 MAX 0.200965 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 4919.18 LOAD: AVG 0.11805 MAX 0.200965 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4919.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4919.19 PRESSURE: 1652400 185.521 157.31 -107.888 157.31 -205.272 -36.0296 -107.888 -36.0305 -68.2928 GPRESSURE: 1652400 188.328 186.542 -142.398 60.7281 -126.386 -1.0573 -107.329 -92.6643 -50.5349 PRESSAVG: 1652400 47.4618 21.6429 -18.9206 21.643 9.96466 -27.2264 -18.9206 -27.2264 -23.4961 GPRESSAVG: 1652400 48.8416 20.5253 -18.4297 23.4078 8.67775 -28.901 -17.5967 -26.0913 -23.1446 TIMING: 1652400 CPU: 4916.06, 0.00303246/step Wall: 4916.06, 0.00303246/step, 2.81985 hours remaining, 207.343750 MB of memory in use. ENERGY: 1652400 777.6639 2100.1281 1914.8214 108.3707 -206164.5917 17776.4958 0.0000 0.0000 34537.9602 -148949.1517 301.6286 -183487.1118 -148844.1350 300.7329 -29.3478 3.8026 557529.6786 11.3101 11.4583 PRESSURE: 1652600 -210.671 55.8447 -60.8749 55.8449 125.671 344.989 -60.875 344.989 -265.073 GPRESSURE: 1652600 -217.804 93.7778 -58.8997 84.9527 131.525 259.391 -37.5179 375.102 -165.238 PRESSAVG: 1652600 5.28196 29.8426 44.5691 29.8426 24.9605 9.73641 44.5691 9.73642 -12.1768 GPRESSAVG: 1652600 2.87757 30.9265 43.0837 29.2768 27.0137 10.4815 45.6979 8.06488 -11.9843 TIMING: 1652600 CPU: 4916.66, 0.00297121/step Wall: 4916.66, 0.00297121/step, 2.76273 hours remaining, 207.343750 MB of memory in use. ENERGY: 1652600 766.9252 2159.7523 1893.3957 112.1347 -205598.2223 17560.8794 0.0000 0.0000 34102.7615 -149002.3735 297.8279 -183105.1350 -148909.4805 300.6758 -116.6911 -83.8387 556881.8331 6.0219 5.9690 PRESSURE: 1652800 -127.604 78.1613 18.7714 78.1616 -137.397 123.969 18.7724 123.967 53.6902 GPRESSURE: 1652800 -49.5911 78.8376 4.81867 157.085 -132.841 83.9991 0.0781794 93.5003 67.1338 PRESSAVG: 1652800 -40.209 -16.5332 23.1035 -16.5332 13.5956 46.0861 23.1036 46.0861 17.7854 GPRESSAVG: 1652800 -38.8237 -16.1073 23.935 -13.8093 12.4365 42.6919 21.4354 49.2667 17.8257 TIMING: 1652800 CPU: 4917.26, 0.0030124/step Wall: 4917.26, 0.0030124/step, 2.80086 hours remaining, 207.343750 MB of memory in use. ENERGY: 1652800 744.7983 2118.1665 1909.1466 104.6662 -205927.0466 17593.9321 0.0000 0.0000 34425.9128 -149030.4241 300.6501 -183456.3368 -148930.4327 299.9225 -70.4369 -38.4329 556273.2312 -2.9427 -2.8538 PRESSURE: 1653000 193.9 -156.957 -14.3596 -156.955 -69.5955 125.187 -14.3587 125.188 63.8162 GPRESSURE: 1653000 297.853 -110.847 29.0691 -99.0061 -35.6188 61.5352 -31.3179 126.746 41.669 PRESSAVG: 1653000 25.2959 -39.1951 -6.87011 -39.1951 19.6737 64.6677 -6.87012 64.6676 -30.666 GPRESSAVG: 1653000 24.8071 -40.4154 -6.5827 -40.9091 20.7016 66.5336 -7.58321 63.0755 -30.9025 TIMING: 1653000 CPU: 4917.86, 0.00300867/step Wall: 4917.86, 0.00300867/step, 2.79723 hours remaining, 207.343750 MB of memory in use. ENERGY: 1653000 751.7111 2056.4583 1936.2384 131.4107 -206143.6564 17768.4554 0.0000 0.0000 34366.1233 -149133.2592 300.1279 -183499.3826 -149042.1642 299.6939 62.7068 101.3012 555445.4966 4.7679 4.8687 PRESSURE: 1653200 -19.9003 -95.448 37.2165 -95.4478 103.115 112.092 37.2173 112.092 -2.17223 GPRESSURE: 1653200 -7.11576 -73.852 20.9939 -66.1258 168.709 78.6773 -12.8147 96.7506 16.3263 PRESSAVG: 1653200 -51.6036 -16.2902 7.59189 -16.2903 45.8551 20.4002 7.59184 20.4002 13.6046 GPRESSAVG: 1653200 -51.7343 -16.7887 6.55649 -16.077 45.056 22.8562 8.63321 19.5808 14.112 TIMING: 1653200 CPU: 4918.46, 0.00299431/step Wall: 4918.46, 0.00299431/step, 2.78371 hours remaining, 207.343750 MB of memory in use. ENERGY: 1653200 745.0414 2117.2037 1939.6090 101.8908 -206149.3966 17869.8165 0.0000 0.0000 34386.3627 -148989.4725 300.3047 -183375.8352 -148893.8965 300.0845 27.0143 59.3064 556930.8682 2.6187 2.4779 PRESSURE: 1653400 -203.348 -233.09 115.316 -233.09 -154.154 38.6173 115.316 38.6189 -221.091 GPRESSURE: 1653400 -158.149 -158.315 169.939 -241.552 -140.52 37.1434 84.1128 82.97 -180.239 PRESSAVG: 1653400 -29.3326 -36.7482 35.7791 -36.7482 41.0212 -9.39798 35.7792 -9.39789 9.84197 GPRESSAVG: 1653400 -29.7872 -36.6138 37.5508 -36.336 40.8136 -9.01285 35.6787 -10.8355 9.65602 TIMING: 1653400 CPU: 4919.06, 0.00301806/step Wall: 4919.06, 0.00301806/step, 2.80562 hours remaining, 207.343750 MB of memory in use. ENERGY: 1653400 792.2684 2107.5189 1958.1729 107.1788 -205765.4912 17481.1001 0.0000 0.0000 34229.1799 -149090.0721 298.9319 -183319.2520 -148990.3215 299.4207 -192.8646 -159.6362 556313.6345 7.1769 6.8942 PRESSURE: 1653600 -93.7326 -12.843 -75.5281 -12.8423 -175.87 118.289 -75.5282 118.289 36.6336 GPRESSURE: 1653600 -73.5871 27.215 -116.847 -48.729 -140.601 153.537 -154.863 91.1449 88.8108 PRESSAVG: 1653600 23.3007 -46.0488 -7.19046 -46.0487 46.4677 37.4169 -7.19044 37.4169 -24.3644 GPRESSAVG: 1653600 22.9411 -45.6876 -8.47565 -47.3245 45.8804 33.5203 -7.96082 40.5589 -23.5443 TIMING: 1653600 CPU: 4919.67, 0.00301801/step Wall: 4919.67, 0.00301801/step, 2.80541 hours remaining, 207.343750 MB of memory in use. ENERGY: 1653600 769.0284 2156.9555 1949.4936 114.1151 -206144.4833 17738.6689 0.0000 0.0000 34300.3119 -149115.9099 299.5532 -183416.2218 -149022.3158 299.8684 -77.6563 -41.7925 556991.9494 15.1346 15.0924 PRESSURE: 1653800 4.50786 66.9404 38.2075 66.9396 -67.0413 78.479 38.2076 78.4782 -28.468 GPRESSURE: 1653800 81.257 27.7926 -2.49414 162.919 -56.9255 41.9876 87.6319 25.4503 -27.5554 PRESSAVG: 1653800 -10.5514 4.88376 13.7743 4.88361 22.4024 -25.4693 13.7743 -25.4691 -21.0134 GPRESSAVG: 1653800 -9.26264 6.20289 14.9219 5.24527 21.9432 -22.9613 14.0052 -26.5144 -22.0667 TIMING: 1653800 CPU: 4920.26, 0.00298881/step Wall: 4920.26, 0.00298881/step, 2.7781 hours remaining, 207.343750 MB of memory in use. ENERGY: 1653800 755.3689 2146.1968 1926.8977 122.4622 -206197.7279 17777.6944 0.0000 0.0000 34366.5556 -149102.5525 300.1317 -183469.1081 -149009.6174 300.0533 -30.3338 -1.0746 556977.6917 -3.0541 -3.1287 PRESSURE: 1654000 -90.9689 -62.7823 -91.0179 -62.7826 -155.512 40.5619 -91.0171 40.5612 -46.063 GPRESSURE: 1654000 -3.90805 -8.40137 -30.7404 -18.2401 -158.91 64.6846 -111.841 47.0464 -36.9211 PRESSAVG: 1654000 6.98952 44.9942 -24.9645 44.9942 58.6288 -39.9092 -24.9644 -39.9092 -6.03431 GPRESSAVG: 1654000 6.2021 42.7893 -25.0879 46.1479 58.1211 -40.7376 -23.6445 -38.8359 -4.563 TIMING: 1654000 CPU: 4920.86, 0.00299475/step Wall: 4920.86, 0.00299475/step, 2.78345 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: 1654000 736.8125 2078.9895 1936.7539 105.1716 -206060.5746 17819.3142 0.0000 0.0000 34254.6182 -149128.9148 299.1541 -183383.5330 -149036.3843 299.2474 -97.5148 -66.5796 557517.4491 19.8613 19.9200 PRESSURE: 1654200 -112.252 -180.165 180.359 -180.166 -122.519 -53.3031 180.359 -53.3035 -81.4058 GPRESSURE: 1654200 -63.3049 -81.2145 146.594 -253.791 -57.8076 -129.522 152.347 38.6372 -87.1449 PRESSAVG: 1654200 34.4485 -36.2526 -9.7887 -36.2526 -44.3946 -3.67781 -9.78866 -3.67783 -1.72245 GPRESSAVG: 1654200 35.2671 -34.2531 -11.8135 -38.3516 -43.713 -5.43382 -8.97385 -4.44746 -2.63687 TIMING: 1654200 CPU: 4921.45, 0.00296005/step Wall: 4921.45, 0.00296005/step, 2.75104 hours remaining, 207.343750 MB of memory in use. ENERGY: 1654200 739.7822 2087.8700 1938.0324 105.3241 -206133.7313 17723.5712 0.0000 0.0000 34306.2341 -149232.9173 299.6049 -183539.1514 -149134.1800 299.5514 -105.3924 -69.4192 557109.9730 -3.8895 -3.6943 PRESSURE: 1654400 -188.014 200.979 -70.5904 200.979 -373.574 -107.724 -70.5919 -107.724 -161.086 GPRESSURE: 1654400 -158.431 150.488 -78.9574 96.7613 -345.449 -52.4876 -113.544 -69.9793 -127.785 PRESSAVG: 1654400 -10.9278 -14.135 -0.367967 -14.1349 -20.1969 -33.6962 -0.367933 -33.6961 14.9492 GPRESSAVG: 1654400 -12.2102 -16.3044 0.668565 -13.3435 -18.9972 -32.0582 -2.2573 -33.6065 15.2457 TIMING: 1654400 CPU: 4922.04, 0.00294865/step Wall: 4922.04, 0.00294865/step, 2.74028 hours remaining, 207.343750 MB of memory in use. ENERGY: 1654400 739.5840 2113.1472 1949.4760 122.7091 -205823.6448 17412.2120 0.0000 0.0000 34322.8051 -149163.7115 299.7496 -183486.5166 -149066.1294 299.5396 -240.8916 -210.5548 557974.1661 -5.3918 -5.3206 PRESSURE: 1654600 -65.4281 21.8529 44.6534 21.8531 176.506 -160.85 44.6558 -160.848 63.5586 GPRESSURE: 1654600 -23.0266 28.1739 59.2991 21.7293 175.016 -261.308 9.55435 -102.405 109.979 PRESSAVG: 1654600 24.3525 17.5427 -43.5082 17.5427 -67.0658 -29.6756 -43.5082 -29.6757 54.5331 GPRESSAVG: 1654600 24.2131 19.3331 -42.872 16.5121 -67.3896 -28.8526 -43.5043 -32.1305 55.2919 TIMING: 1654600 CPU: 4922.64, 0.00297135/step Wall: 4922.64, 0.00297135/step, 2.76121 hours remaining, 207.343750 MB of memory in use. ENERGY: 1654600 721.1209 2102.9815 1939.9870 116.4040 -206359.1435 17910.8698 0.0000 0.0000 34262.4765 -149305.3037 299.2227 -183567.7803 -149212.9759 299.5320 58.2121 87.3226 555937.9724 3.9399 4.0385 PRESSURE: 1654800 28.3391 134.375 -110.697 134.376 16.634 7.25828 -110.698 7.25797 68.562 GPRESSURE: 1654800 42.852 46.468 -85.5614 182.221 25.0207 -53.026 -77.452 61.7832 136.49 PRESSAVG: 1654800 17.8512 53.7497 -38.0266 53.7498 9.99394 -4.83048 -38.0267 -4.83052 -5.78934 GPRESSAVG: 1654800 18.6083 53.3209 -38.6534 53.8404 9.69136 -5.65834 -36.424 -2.09036 -5.99447 TIMING: 1654800 CPU: 4923.23, 0.00296788/step Wall: 4923.23, 0.00296788/step, 2.75782 hours remaining, 207.343750 MB of memory in use. ENERGY: 1654800 808.5567 2104.3097 1953.3959 103.2007 -206620.6061 18092.0295 0.0000 0.0000 34354.2716 -149204.8421 300.0244 -183559.1137 -149110.3794 299.1796 37.8450 68.1210 557347.0687 7.3519 7.4351 PRESSURE: 1655000 -158.304 57.3753 -58.1326 57.3751 -140.476 117.899 -58.1314 117.899 -190.04 GPRESSURE: 1655000 -135.446 132.654 -34.7576 18.7266 -90.7965 106.277 -78.7584 184.666 -157.557 PRESSAVG: 1655000 62.8771 38.5126 -27.8409 38.5127 -14.3474 41.8958 -27.841 41.8958 -7.78577 GPRESSAVG: 1655000 64.5647 38.3532 -29.6475 38.1219 -13.9474 42.8052 -27.8368 42.4436 -8.97689 TIMING: 1655000 CPU: 4923.83, 0.00297794/step Wall: 4923.83, 0.00297794/step, 2.767 hours remaining, 207.343750 MB of memory in use. ENERGY: 1655000 744.5058 2100.9089 1933.1373 124.4421 -205976.3800 17603.3798 0.0000 0.0000 34326.0712 -149143.9349 299.7781 -183470.0061 -149041.0335 299.0399 -162.9403 -127.9331 558331.4868 13.5813 13.8801 PRESSURE: 1655200 -9.9083 -187.66 -7.96259 -187.66 -257.909 87.6836 -7.96255 87.6823 -373.776 GPRESSURE: 1655200 71.8187 -201.753 -7.30514 -204.016 -255.761 31.7561 -49.1693 70.1342 -359.731 PRESSAVG: 1655200 36.6101 29.3271 18.2366 29.3271 15.9378 26.2818 18.2366 26.2819 -5.18181 GPRESSAVG: 1655200 34.9336 28.8401 20.2743 31.302 15.1023 24.7323 17.9892 24.5649 -3.25825 TIMING: 1655200 CPU: 4924.43, 0.00299285/step Wall: 4924.43, 0.00299285/step, 2.78069 hours remaining, 207.343750 MB of memory in use. ENERGY: 1655200 744.9821 2072.1459 1938.2675 130.4217 -205884.6712 17445.9192 0.0000 0.0000 34448.7984 -149104.1362 300.8499 -183552.9347 -149005.5204 299.3266 -213.8646 -181.2243 558343.6177 15.7887 15.5926 PRESSURE: 1655400 43.0657 -115.105 -105.945 -115.105 54.7977 -98.2844 -105.945 -98.2841 23.1608 GPRESSURE: 1655400 104.041 -113.384 -121.613 -145.748 53.8481 -56.6109 -45.6613 -64.9327 70.2874 PRESSAVG: 1655400 12.9153 20.1441 26.4944 20.144 7.93149 22.7472 26.4943 22.7473 -38.2761 GPRESSAVG: 1655400 13.7326 20.7079 26.3237 20.2929 8.2266 24.6674 26.4176 24.0094 -39.312 TIMING: 1655400 CPU: 4925.03, 0.00299904/step Wall: 4925.03, 0.00299904/step, 2.78627 hours remaining, 207.343750 MB of memory in use. ENERGY: 1655400 786.6052 2077.6977 1955.1994 118.4861 -206286.7448 17908.2700 0.0000 0.0000 34423.0396 -149017.4469 300.6250 -183440.4865 -148918.5265 300.0921 40.3414 76.0589 557426.6016 -5.8098 -5.7843 PRESSURE: 1655600 -42.1135 119.011 61.0983 119.011 193.151 -33.6528 61.1 -33.6526 -139.6 GPRESSURE: 1655600 1.46775 47.7465 75.5362 99.0202 213.37 -90.7498 39.746 -48.8013 -91.5569 PRESSAVG: 1655600 32.2782 -21.2669 35.4804 -21.2668 -34.3889 82.6994 35.4803 82.6993 24.1983 GPRESSAVG: 1655600 32.7433 -20.8693 34.6243 -22.0124 -34.3159 82.6273 36.45 82.3422 23.5906 TIMING: 1655600 CPU: 4925.63, 0.00303502/step Wall: 4925.63, 0.00303502/step, 2.81953 hours remaining, 207.343750 MB of memory in use. ENERGY: 1655600 781.1446 2066.8067 1914.5579 111.8363 -206188.0333 17787.4553 0.0000 0.0000 34394.1571 -149132.0754 300.3727 -183526.2325 -149037.1826 299.7435 3.8124 41.0935 556976.0849 7.3626 7.3393 PRESSURE: 1655800 -141.295 12.5261 -33.7749 12.5263 -78.7831 -7.65339 -33.7756 -7.65512 149.115 GPRESSURE: 1655800 -114.415 -135.401 -61.7727 -8.78305 -13.0336 22.7023 -84.901 -60.4353 158.379 PRESSAVG: 1655800 60.5994 -21.1866 34.8012 -21.1866 -16.8525 14.2949 34.8011 14.295 -16.6915 GPRESSAVG: 1655800 59.3748 -21.2419 34.9849 -21.7578 -17.2198 15.2059 34.5619 13.2238 -15.8845 TIMING: 1655800 CPU: 4926.24, 0.00302869/step Wall: 4926.24, 0.00302869/step, 2.81349 hours remaining, 207.343750 MB of memory in use. ENERGY: 1655800 732.3156 2093.2550 1936.0825 125.3305 -205918.5493 17594.0476 0.0000 0.0000 34486.4108 -148951.1072 301.1784 -183437.5180 -148850.3022 299.3538 -23.6542 10.3099 559025.2955 9.0185 8.7569 PRESSURE: 1656000 -310.667 -187.136 190.19 -187.135 -204.221 -149.223 190.19 -149.223 -53.7419 GPRESSURE: 1656000 -276.685 -266.477 174.238 -197.523 -142.892 -220.878 203.969 -139.901 -49.3326 PRESSAVG: 1656000 22.0361 11.1286 87.9645 11.1284 -45.6563 -37.1797 87.9644 -37.1795 10.4617 GPRESSAVG: 1656000 22.1342 10.3699 89.0915 11.5411 -45.4651 -37.9322 86.8208 -36.2338 10.2265 TIMING: 1656000 CPU: 4926.84, 0.00301453/step Wall: 4926.84, 0.00301453/step, 2.80017 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: 1656000 776.5305 2102.7914 1984.3973 105.0765 -205890.1735 17605.8896 0.0000 0.0000 34232.6860 -149082.8022 298.9626 -183315.4882 -148984.7776 299.6874 -189.5431 -156.3032 558049.3637 -4.3862 -4.3681 PRESSURE: 1656200 2.06954 -117.268 -65.1395 -117.268 -104.671 48.5087 -65.1386 48.5102 87.9371 GPRESSURE: 1656200 19.4082 -22.5076 -23.07 -109.209 -93.5489 -116.948 -100.207 169.079 144.642 PRESSAVG: 1656200 -3.9451 2.70023 -13.649 2.70027 -27.2693 0.0444793 -13.649 0.0446121 42.5145 GPRESSAVG: 1656200 -3.62086 6.76969 -13.8933 1.56412 -27.3904 -0.0622663 -13.9299 1.33478 42.1854 TIMING: 1656200 CPU: 4927.44, 0.0029885/step Wall: 4927.44, 0.0029885/step, 2.77582 hours remaining, 207.343750 MB of memory in use. ENERGY: 1656200 753.4075 2040.5270 1957.1304 121.3181 -206082.8091 17804.8500 0.0000 0.0000 34051.3158 -149354.2602 297.3786 -183405.5760 -149258.6836 299.0032 -4.8881 23.5003 557831.2260 3.7667 3.7247 LDB: ============= START OF LOAD BALANCING ============== 4930.87 LDB: ============== END OF LOAD BALANCING =============== 4930.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4930.87 LDB: ============= START OF LOAD BALANCING ============== 4931.17 LDB: Largest compute 4821 load 0.028628 is 24.3% of average load 0.118000 LDB: Average compute 0.001717 is 1.5% of average load 0.118000 LDB: TIME 4931.17 LOAD: AVG 0.118 MAX 0.199666 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 4931.17 LOAD: AVG 0.118 MAX 0.199666 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.336 MB LDB: TIME 4931.17 LOAD: AVG 0.118 MAX 0.199666 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4931.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4931.18 PRESSURE: 1656400 -29.2644 59.9732 -148.123 59.9745 -121.954 100.871 -148.124 100.871 -399.587 GPRESSURE: 1656400 -27.6327 57.7192 -148.476 159.723 -82.8287 75.7582 -111.801 96.9061 -340.777 PRESSAVG: 1656400 39.3406 42.3233 -15.4168 42.3234 -34.9573 -12.8795 -15.4169 -12.8794 4.00613 GPRESSAVG: 1656400 39.9044 39.561 -14.9962 44.3223 -35.6657 -14.3618 -15.8452 -12.9772 4.0868 TIMING: 1656400 CPU: 4928.05, 0.00305332/step Wall: 4928.05, 0.00305332/step, 2.83586 hours remaining, 204.906250 MB of memory in use. ENERGY: 1656400 765.1295 2090.9618 1937.9170 118.2027 -206436.4788 17844.5473 0.0000 0.0000 34331.1371 -149348.5833 299.8224 -183679.7204 -149248.7516 298.6724 -183.6016 -150.4129 558713.9185 2.7965 2.7751 PRESSURE: 1656600 -29.9069 -56.1908 -78.8329 -56.1918 -23.3478 -72.2073 -78.832 -72.2072 -90.6797 GPRESSURE: 1656600 29.0515 0.169224 -111.128 -6.74861 -3.17559 -44.078 -30.1476 -17.4024 -72.5466 PRESSAVG: 1656600 25.1883 40.7365 -43.0264 40.7366 -30.198 12.0657 -43.0264 12.0657 -2.4698 GPRESSAVG: 1656600 24.542 42.6414 -43.7572 39.6771 -28.9118 14.8365 -41.7483 12.2602 -3.34266 TIMING: 1656600 CPU: 4928.64, 0.00296977/step Wall: 4928.64, 0.00296977/step, 2.75809 hours remaining, 204.906250 MB of memory in use. ENERGY: 1656600 726.0203 2154.4786 1921.3969 108.3291 -206182.8366 17855.2476 0.0000 0.0000 34031.9709 -149385.3932 297.2097 -183417.3641 -149294.0495 298.6533 -47.9781 -15.5569 558807.0032 -2.4932 -2.5708 PRESSURE: 1656800 -144.877 -136.521 87.3428 -136.52 -116.662 -165.528 87.343 -165.527 125.332 GPRESSURE: 1656800 -101.632 -95.4946 29.8401 -174.53 -80.1962 -89.2375 60.2921 -188.557 139.763 PRESSAVG: 1656800 -16.4302 10.4448 -17.7216 10.4449 3.60368 -20.9881 -17.7216 -20.9882 -14.6603 GPRESSAVG: 1656800 -15.9527 8.76548 -17.2296 8.53103 2.99797 -25.0745 -16.9489 -20.9618 -14.1151 TIMING: 1656800 CPU: 4929.24, 0.00298379/step Wall: 4929.24, 0.00298379/step, 2.77095 hours remaining, 204.906250 MB of memory in use. ENERGY: 1656800 738.0378 2106.6081 1953.5309 114.2179 -206041.5462 17688.0532 0.0000 0.0000 34171.9191 -149269.1792 298.4319 -183441.0983 -149171.1482 298.4580 -45.4023 -14.0218 557080.0112 -9.1623 -9.0233 PRESSURE: 1657000 -83.815 223.046 70.5298 223.046 -14.9188 -3.61352 70.5297 -3.61225 -180.014 GPRESSURE: 1657000 -49.1686 212.218 37.7131 188.638 -8.17682 -15.7554 110.935 -14.0756 -123.338 PRESSAVG: 1657000 41.6438 -29.0532 33.129 -29.0532 -30.1184 -19.4814 33.129 -19.4815 -14.0268 GPRESSAVG: 1657000 42.5117 -28.6062 33.8751 -27.6051 -30.7736 -19.8294 31.7369 -18.8376 -14.2439 TIMING: 1657000 CPU: 4929.84, 0.00299947/step Wall: 4929.84, 0.00299947/step, 2.78534 hours remaining, 204.906250 MB of memory in use. ENERGY: 1657000 756.5119 2063.4034 1958.1740 116.5368 -205780.6749 17583.1161 0.0000 0.0000 34030.9417 -149271.9909 297.2007 -183302.9327 -149173.1898 298.6196 -92.9159 -60.2277 557969.7967 -0.8338 -0.8353 PRESSURE: 1657200 30.9226 -91.9491 -45.4606 -91.9497 -194.585 -65.795 -45.4604 -65.7955 105.583 GPRESSURE: 1657200 34.6722 -77.1769 -73.141 -127.455 -66.2198 -56.4895 7.99411 -56.425 84.0338 PRESSAVG: 1657200 14.647 0.997248 0.405154 0.997297 -29.4049 17.4749 0.405277 17.475 10.9194 GPRESSAVG: 1657200 13.9496 -0.820126 1.26831 2.03532 -27.6479 20.2021 0.520085 15.1081 10.7126 TIMING: 1657200 CPU: 4930.44, 0.00299678/step Wall: 4930.44, 0.00299678/step, 2.78268 hours remaining, 204.906250 MB of memory in use. ENERGY: 1657200 737.7357 2103.5822 1962.9511 112.6339 -206576.9219 17911.4750 0.0000 0.0000 34296.6039 -149451.9400 299.5208 -183748.5439 -149354.9140 299.0811 -19.3598 17.4954 557278.1552 -1.2795 -0.9952 PRESSURE: 1657400 -66.9854 84.1467 8.27298 84.1469 123.793 -141.195 8.27242 -141.196 -173.265 GPRESSURE: 1657400 -73.7444 8.02919 -50.1715 133.358 139.836 -163.737 115.506 -134.155 -86.3796 PRESSAVG: 1657400 8.94366 76.5191 -6.75041 76.5191 -4.70231 -25.0046 -6.75036 -25.0047 41.2256 GPRESSAVG: 1657400 7.17308 77.648 -7.62125 75.6021 -4.84199 -25.6878 -6.96811 -23.8398 43.0492 TIMING: 1657400 CPU: 4931.04, 0.00300027/step Wall: 4931.04, 0.00300027/step, 2.78575 hours remaining, 204.906250 MB of memory in use. ENERGY: 1657400 776.8162 2022.4066 1959.6054 116.3141 -206402.5391 17767.4402 0.0000 0.0000 34275.0829 -149484.8740 299.3328 -183759.9568 -149394.2058 298.8129 -38.8191 -6.7626 555932.5614 15.1557 15.1268 PRESSURE: 1657600 -182.434 83.406 9.7742 83.4065 55.8491 65.7121 9.7731 65.7104 292.892 GPRESSURE: 1657600 -114.31 146.764 -40.5552 66.4032 102.281 57.6354 24.3364 77.8672 286.038 PRESSAVG: 1657600 10.0356 5.93026 -18.1873 5.9303 57.0506 -14.0927 -18.1873 -14.0927 -20.1608 GPRESSAVG: 1657600 12.1548 5.40846 -20.9196 7.52441 56.547 -14.86 -18.024 -13.654 -21.9134 TIMING: 1657600 CPU: 4931.64, 0.0030196/step Wall: 4931.64, 0.0030196/step, 2.80353 hours remaining, 204.906250 MB of memory in use. ENERGY: 1657600 763.2924 2095.6926 1950.8148 117.7801 -206647.4352 17942.6336 0.0000 0.0000 34328.2158 -149449.0058 299.7968 -183777.2216 -149352.1559 298.9189 55.4354 91.3361 556639.1677 15.6418 15.5961 PRESSURE: 1657800 67.7121 -153.11 3.48761 -153.11 258.916 121.265 3.49007 121.266 -45.4326 GPRESSURE: 1657800 60.4145 -205.956 -46.5398 -196.423 308.544 59.107 82.8781 126.605 8.04539 PRESSAVG: 1657800 -29.9551 12.8473 0.0863306 12.8474 25.8997 23.3039 0.086364 23.304 12.1594 GPRESSAVG: 1657800 -30.3543 14.0659 3.48493 9.90871 26.4839 24.111 -1.81781 21.7166 12.4848 TIMING: 1657800 CPU: 4932.24, 0.00297976/step Wall: 4932.24, 0.00297976/step, 2.76637 hours remaining, 204.906250 MB of memory in use. ENERGY: 1657800 731.3462 2084.3309 1943.8695 113.6795 -206376.7186 17924.2087 0.0000 0.0000 34149.1642 -149430.1196 298.2331 -183579.2838 -149333.3824 299.2587 93.7318 125.6679 554286.4963 2.7013 2.8714 PRESSURE: 1658000 -20.6018 -70.368 60.9305 -70.3673 -95.549 -122.557 60.9298 -122.555 39.9173 GPRESSURE: 1658000 -15.7337 -55.3389 5.4531 -162.94 -39.1346 -141.845 46.9627 -129.49 78.7726 PRESSAVG: 1658000 -50.4299 -54.0679 -22.3055 -54.068 40.5755 33.3959 -22.3056 33.3959 7.78013 GPRESSAVG: 1658000 -49.6758 -54.3288 -24.3808 -53.0453 39.855 34.1869 -19.8079 33.7527 7.45579 TIMING: 1658000 CPU: 4932.84, 0.00298807/step Wall: 4932.84, 0.00298807/step, 2.77393 hours remaining, 204.906250 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: 1658000 750.3012 2093.9976 1941.7634 127.2203 -206602.9227 17805.7335 0.0000 0.0000 34563.4711 -149320.4357 301.8514 -183883.9068 -149221.4972 299.3077 -25.4111 7.9681 556834.6748 -0.6915 -0.7883 PRESSURE: 1658200 -121.257 -93.6573 60.4509 -93.6575 -52.8516 -37.4836 60.4503 -37.4829 -395.156 GPRESSURE: 1658200 -96.6523 -94.5211 31.1696 -67.7499 -2.93957 -37.6178 120.965 -30.0961 -380.802 PRESSAVG: 1658200 40.5253 -15.119 -16.7549 -15.1189 -3.95188 17.7706 -16.7548 17.7707 -47.5865 GPRESSAVG: 1658200 39.6085 -15.4011 -15.2192 -14.0896 -3.47241 16.71 -18.4294 17.1969 -47.288 TIMING: 1658200 CPU: 4933.43, 0.00297039/step Wall: 4933.43, 0.00297039/step, 2.75735 hours remaining, 204.906250 MB of memory in use. ENERGY: 1658200 758.2077 2081.5359 1915.2607 105.6841 -205937.9371 17575.8529 0.0000 0.0000 34164.2011 -149337.1946 298.3645 -183501.3957 -149243.9447 298.8677 -189.7546 -160.1311 558864.6741 -3.6710 -3.7173 PRESSURE: 1658400 -124.369 -36.938 -97.1664 -36.9371 40.5823 174.616 -97.1657 174.617 -131.013 GPRESSURE: 1658400 -92.6157 -51.9323 -144.774 -82.8311 90.3288 150.635 -116.704 166.017 -110.559 PRESSAVG: 1658400 23.1693 -16.6375 -6.72585 -16.6375 -17.1199 -39.8187 -6.72581 -39.8187 -35.808 GPRESSAVG: 1658400 23.7145 -18.0064 -7.97459 -18.198 -16.5786 -40.0299 -3.49181 -39.4713 -36.457 TIMING: 1658400 CPU: 4934.03, 0.00298948/step Wall: 4934.03, 0.00298948/step, 2.77491 hours remaining, 204.906250 MB of memory in use. ENERGY: 1658400 702.8176 2102.3815 1950.5949 112.8903 -206493.2763 18012.4255 0.0000 0.0000 34224.2636 -149387.9029 298.8890 -183612.1665 -149292.1386 298.3822 -71.5999 -37.6152 558579.0256 -9.9195 -9.7737 PRESSURE: 1658600 118.812 -12.3109 -5.96748 -12.3116 161.136 59.1904 -5.96772 59.1904 132.595 GPRESSURE: 1658600 99.0441 27.0196 -50.0522 -65.9184 206.869 -0.325755 8.71992 142.768 195.299 PRESSAVG: 1658600 -5.9155 -46.8151 3.25324 -46.815 24.5493 -3.67219 3.25319 -3.67217 -16.2568 GPRESSAVG: 1658600 -6.08566 -44.4755 5.51245 -46.349 24.2278 -4.27118 0.449917 -3.3211 -16.1125 TIMING: 1658600 CPU: 4934.63, 0.00300356/step Wall: 4934.63, 0.00300356/step, 2.7878 hours remaining, 204.906250 MB of memory in use. ENERGY: 1658600 678.1413 2116.4187 1954.6299 102.0289 -206437.5702 17993.6275 0.0000 0.0000 34200.4655 -149392.2585 298.6812 -183592.7239 -149298.4868 299.1966 137.5142 167.0706 558059.7109 0.7923 0.6766 PRESSURE: 1658800 158.103 -14.3228 -32.1021 -14.3225 27.4953 150.816 -32.1025 150.817 64.7626 GPRESSURE: 1658800 219.972 -102.552 -31.9352 -37.3178 93.3413 160.827 -86.4454 91.9787 43.7334 PRESSAVG: 1658800 16.5657 -44.4373 6.48203 -44.4374 -4.99208 21.666 6.482 21.6659 -37.0481 GPRESSAVG: 1658800 16.5097 -45.3954 4.57126 -43.385 -4.98673 22.9582 6.77115 20.8319 -36.9142 TIMING: 1658800 CPU: 4935.23, 0.00299551/step Wall: 4935.23, 0.00299551/step, 2.78017 hours remaining, 204.906250 MB of memory in use. ENERGY: 1658800 755.4080 2047.8586 1921.1383 114.9401 -206117.8141 17960.8296 0.0000 0.0000 33844.4869 -149473.1526 295.5723 -183317.6395 -149378.8358 299.0993 83.4536 119.0157 559607.4049 -8.4915 -8.4638 PRESSURE: 1659000 -252.624 -63.2021 -86.9073 -63.2006 -290.061 129.434 -86.9074 129.434 -365.787 GPRESSURE: 1659000 -143.246 -78.5029 -101.489 28.1469 -287.412 121.898 35.9627 119.043 -380.537 PRESSAVG: 1659000 31.6056 -57.5226 -11.8078 -57.5226 4.7697 43.3724 -11.8078 43.3724 -18.5925 GPRESSAVG: 1659000 31.7446 -56.5869 -12.9963 -57.1902 3.78292 43.6231 -9.52901 42.1946 -17.3495 TIMING: 1659000 CPU: 4935.83, 0.00299937/step Wall: 4935.83, 0.00299937/step, 2.78358 hours remaining, 204.906250 MB of memory in use. ENERGY: 1659000 785.8559 2122.1347 1923.5434 120.1587 -206156.3329 17648.8724 0.0000 0.0000 34258.4599 -149297.3078 299.1877 -183555.7677 -149199.3387 298.9595 -302.8238 -270.3983 558870.9132 5.9276 6.0593 PRESSURE: 1659200 -413.8 33.2197 -100.22 33.2202 -163.903 60.5829 -100.219 60.582 -49.3453 GPRESSURE: 1659200 -381.08 102.89 -197.852 36.6983 -129.827 105.189 -28.6184 11.9724 -23.4628 PRESSAVG: 1659200 24.6009 -2.41247 -26.4324 -2.41257 39.3521 53.4186 -26.4324 53.4186 -45.6962 GPRESSAVG: 1659200 23.0988 -3.53216 -26.0477 -3.20377 41.0155 52.9795 -29.6036 53.4714 -45.7966 TIMING: 1659200 CPU: 4936.42, 0.00296865/step Wall: 4936.42, 0.00296865/step, 2.75491 hours remaining, 204.906250 MB of memory in use. ENERGY: 1659200 753.8533 2103.4726 1906.6002 127.6008 -206097.8613 17553.9611 0.0000 0.0000 34207.8361 -149444.5372 298.7455 -183652.3733 -149344.7905 299.2375 -209.0159 -178.1232 559406.0585 6.0856 6.1059 PRESSURE: 1659400 39.3972 141.273 27.5678 141.273 -102.467 48.7096 27.5686 48.7093 -41.2678 GPRESSURE: 1659400 61.0537 157.931 86.25 120.656 -62.0881 69.1185 -21.7117 41.5049 -2.13242 PRESSAVG: 1659400 -26.0714 72.5997 -8.40484 72.5997 5.93093 35.826 -8.40478 35.826 22.3885 GPRESSAVG: 1659400 -25.2013 73.4696 -7.94498 73.0022 5.86588 35.7825 -9.86627 35.987 21.1805 TIMING: 1659400 CPU: 4937.02, 0.00299903/step Wall: 4937.02, 0.00299903/step, 2.78293 hours remaining, 204.906250 MB of memory in use. ENERGY: 1659400 734.1511 2073.4622 1928.8145 121.4346 -206503.9559 17897.3642 0.0000 0.0000 34184.6711 -149564.0583 298.5432 -183748.7293 -149462.0300 298.7787 -34.7793 -1.0556 556957.4575 0.7494 0.6150 PRESSURE: 1659600 80.1492 19.2569 -189.945 19.2581 122.049 101.11 -189.944 101.11 -137.472 GPRESSURE: 1659600 116.031 -9.45204 -175.141 29.2671 76.8061 69.0434 -122.672 183.527 -23.042 PRESSAVG: 1659600 -27.4817 -7.13826 -28.1067 -7.13817 43.6024 -13.0677 -28.1068 -13.0677 -4.91328 GPRESSAVG: 1659600 -27.01 -8.00002 -27.4311 -8.27518 42.4813 -11.0681 -25.2978 -12.1381 -4.03015 TIMING: 1659600 CPU: 4937.62, 0.00299271/step Wall: 4937.62, 0.00299271/step, 2.7769 hours remaining, 204.906250 MB of memory in use. ENERGY: 1659600 737.9552 2109.3740 1942.8461 115.6851 -206352.0472 17754.5132 0.0000 0.0000 34274.3931 -149417.2804 299.3268 -183691.6735 -149319.3204 298.2194 21.5754 56.5982 556345.4791 3.7358 3.8137 PRESSURE: 1659800 78.1563 114.1 -60.4947 114.1 -22.1439 -1.83232 -60.4934 -1.83291 19.4551 GPRESSURE: 1659800 164.412 114.805 -109.327 176.823 -17.2166 29.3749 -57.0892 -157.486 27.4296 PRESSAVG: 1659800 34.4197 -7.79738 -4.36548 -7.79737 22.8887 27.5882 -4.36546 27.5881 -66.7567 GPRESSAVG: 1659800 33.5334 -9.24088 -5.89945 -4.33187 23.2553 25.4244 -5.06497 28.5456 -66.837 TIMING: 1659800 CPU: 4938.22, 0.00300177/step Wall: 4938.22, 0.00300177/step, 2.78514 hours remaining, 204.906250 MB of memory in use. ENERGY: 1659800 715.8237 2095.7153 1961.6241 114.9076 -206518.0186 17813.4671 0.0000 0.0000 34332.3468 -149484.1340 299.8329 -183816.4807 -149381.9339 298.9487 25.1558 58.2082 556245.0506 -3.1494 -3.3494 PRESSURE: 1660000 -167.544 80.1439 76.7037 80.1432 88.7603 38.0599 76.7044 38.0598 -25.1652 GPRESSURE: 1660000 -46.6673 -36.4278 117.343 138.468 40.3268 13.296 25.7702 7.39716 8.16505 PRESSAVG: 1660000 -34.6699 1.54609 65.363 1.54617 9.44483 -0.639862 65.363 -0.639907 53.3224 GPRESSAVG: 1660000 -34.0314 4.13355 67.5749 -0.0361746 9.60218 -0.153274 65.2725 -1.30801 52.5314 TIMING: 1660000 CPU: 4938.82, 0.00299054/step Wall: 4938.82, 0.00299054/step, 2.77455 hours remaining, 204.906250 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: 1660000 745.0593 2033.0465 1949.9498 107.5292 -206115.5926 17657.3870 0.0000 0.0000 34196.0667 -149426.5541 298.6428 -183622.6208 -149323.7871 298.8699 -34.6495 0.6082 557784.5088 9.3658 9.3674 PRESSURE: 1660200 -28.5855 -44.7817 49.2314 -44.7815 -153.728 0.904681 49.2311 0.905504 -88.1601 GPRESSURE: 1660200 23.8404 -76.8612 65.4316 -33.7274 -109.93 30.9945 -7.76895 -11.8283 -84.832 PRESSAVG: 1660200 -12.2459 29.6076 58.1136 29.6076 -4.60403 47.1697 58.1137 47.1697 18.8276 GPRESSAVG: 1660200 -12.074 28.3958 58.3338 28.8216 -4.97004 45.7679 56.3276 48.3554 18.7296 TIMING: 1660200 CPU: 4939.42, 0.00300305/step Wall: 4939.42, 0.00300305/step, 2.78599 hours remaining, 204.906250 MB of memory in use. ENERGY: 1660200 727.8274 2093.6632 1927.5461 110.9528 -206228.3552 17647.7344 0.0000 0.0000 34126.6238 -149594.0076 298.0363 -183720.6314 -149500.2881 298.9094 -90.1579 -56.9738 557591.9356 0.6592 0.5618 LDB: ============= START OF LOAD BALANCING ============== 4942.85 LDB: ============== END OF LOAD BALANCING =============== 4942.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4942.85 LDB: ============= START OF LOAD BALANCING ============== 4943.15 LDB: Largest compute 4821 load 0.027259 is 23.1% of average load 0.118091 LDB: Average compute 0.001711 is 1.4% of average load 0.118091 LDB: TIME 4943.16 LOAD: AVG 0.118091 MAX 0.202316 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.699 MB LDB: TIME 4943.16 LOAD: AVG 0.118091 MAX 0.202316 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.902 MB LDB: TIME 4943.16 LOAD: AVG 0.118091 MAX 0.202316 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.902 MB LDB: ============== END OF LOAD BALANCING =============== 4943.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4943.16 PRESSURE: 1660400 -159.383 -71.2093 92.5872 -71.2089 -113.165 42.722 92.586 42.7228 8.41179 GPRESSURE: 1660400 -162.543 -9.7839 108.578 -42.5021 -74.145 47.1519 131.001 48.9962 72.4009 PRESSAVG: 1660400 0.43676 38.0933 -28.7205 38.0934 -54.2266 37.6359 -28.7205 37.636 67.7037 GPRESSAVG: 1660400 0.0352921 39.0807 -28.6826 38.6846 -54.7023 37.568 -28.4279 35.5325 68.459 TIMING: 1660400 CPU: 4940.03, 0.00305764/step Wall: 4940.03, 0.00305764/step, 2.83647 hours remaining, 205.851562 MB of memory in use. ENERGY: 1660400 730.5572 2124.9736 1940.4803 131.3638 -206635.1116 17822.1475 0.0000 0.0000 34289.4931 -149596.0961 299.4587 -183885.5892 -149502.1676 298.2624 -88.0454 -54.7624 558354.2091 4.6380 4.5973 PRESSURE: 1660600 154.57 -8.81285 113.112 -8.81343 200.695 -8.85859 113.112 -8.85944 209.961 GPRESSURE: 1660600 174.714 -11.8406 68.3755 -48.235 189.353 48.0542 139.422 76.0806 283.282 PRESSAVG: 1660600 -75.6287 32.478 47.7323 32.4779 22.4657 12.278 47.7323 12.2783 39.0779 GPRESSAVG: 1660600 -75.8372 33.8336 46.7155 29.8635 22.8797 14.7464 49.0812 13.4104 38.8888 TIMING: 1660600 CPU: 4940.63, 0.00296577/step Wall: 4940.63, 0.00296577/step, 2.75108 hours remaining, 206.054688 MB of memory in use. ENERGY: 1660600 721.2408 2085.5997 1937.7227 117.8138 -206585.6575 18029.1520 0.0000 0.0000 34146.2811 -149547.8473 298.2080 -183694.1284 -149448.3645 298.7075 188.4086 215.7830 556894.5271 -4.6950 -4.6896 PRESSURE: 1660800 143.644 147.404 -69.7854 147.405 201.634 16.3386 -69.7847 16.337 229.693 GPRESSURE: 1660800 143.895 70.8427 -8.78263 114.94 267.256 72.3768 -85.1385 -8.59021 257.071 PRESSAVG: 1660800 -54.8401 16.11 68.5162 16.1099 25.3292 21.0309 68.5162 21.031 17.4957 GPRESSAVG: 1660800 -54.0346 14.9518 69.7978 16.9365 25.7555 21.304 67.3152 21.3018 16.4901 TIMING: 1660800 CPU: 4941.22, 0.0029703/step Wall: 4941.22, 0.0029703/step, 2.75512 hours remaining, 206.054688 MB of memory in use. ENERGY: 1660800 775.4720 2109.3866 1914.2111 121.0899 -207303.3186 18341.3757 0.0000 0.0000 34451.6729 -149590.1105 300.8750 -184041.7834 -149496.5470 298.8831 191.6574 222.7403 555517.2144 -4.0051 -3.9297 PRESSURE: 1661000 16.3521 -66.6074 0.727562 -66.6085 35.7032 -62.3125 0.727461 -62.3125 0.419645 GPRESSURE: 1661000 16.7352 7.87066 18.5512 -30.4046 61.9723 46.0117 -29.7819 -8.81936 61.9917 PRESSAVG: 1661000 -39.0085 -9.07628 3.64869 -9.07619 33.217 5.44087 3.64867 5.4409 -14.4582 GPRESSAVG: 1661000 -39.1005 -9.33795 1.64599 -6.73047 32.3912 3.47237 4.97188 4.43685 -13.1465 TIMING: 1661000 CPU: 4941.81, 0.00295611/step Wall: 4941.81, 0.00295611/step, 2.74179 hours remaining, 206.054688 MB of memory in use. ENERGY: 1661000 776.0061 2086.6866 1916.9582 114.8717 -206702.3290 18015.8347 0.0000 0.0000 34358.6249 -149433.3467 300.0624 -183791.9717 -149345.4335 299.0918 17.4917 46.8997 556281.9120 -6.7499 -6.6186 PRESSURE: 1661200 222.291 -13.0347 -115.649 -13.0349 372.668 -28.2464 -115.648 -28.2466 98.5109 GPRESSURE: 1661200 231.378 -117.254 -116.536 49.4195 400.667 15.9516 -152.123 -91.4173 143.609 PRESSAVG: 1661200 24.6042 9.83783 8.899 9.83781 -49.7333 32.34 8.89902 32.34 26.6727 GPRESSAVG: 1661200 25.4709 10.6807 9.49624 9.28086 -49.4719 32.7372 8.25524 32.8945 26.146 TIMING: 1661200 CPU: 4942.41, 0.00298649/step Wall: 4942.41, 0.00298649/step, 2.76981 hours remaining, 206.054688 MB of memory in use. ENERGY: 1661200 721.9098 2109.1848 1960.8417 102.5114 -206905.9580 18148.7243 0.0000 0.0000 34395.7048 -149467.0810 300.3862 -183862.7859 -149376.9634 299.4828 231.1569 258.5513 556061.7183 0.5145 0.7150 PRESSURE: 1661400 158.219 125.301 -56.9584 125.301 364.919 6.68679 -56.9583 6.68626 77.9965 GPRESSURE: 1661400 149.189 82.8907 -24.9645 93.8277 429.369 15.2158 -24.1446 7.87335 111.664 PRESSAVG: 1661400 67.91 24.0366 -50.7852 24.0366 39.2972 29.8338 -50.7852 29.8337 -66.6552 GPRESSAVG: 1661400 66.9434 24.8992 -51.7967 21.3578 39.3902 28.0902 -50.2563 30.3184 -65.6216 TIMING: 1661400 CPU: 4943, 0.00297398/step Wall: 4943, 0.00297398/step, 2.75804 hours remaining, 206.054688 MB of memory in use. ENERGY: 1661400 756.3807 2095.5492 1944.9743 107.2020 -206981.7731 18282.5345 0.0000 0.0000 34198.5477 -149596.5848 298.6644 -183795.1325 -149491.9148 298.7262 200.3781 230.0738 556653.5945 13.5173 13.5707 PRESSURE: 1661600 -263.769 -77.6984 95.5073 -77.6982 130.24 175.026 95.5079 175.025 -7.32753 GPRESSURE: 1661600 -186.467 -99.5193 52.6973 -50.8718 114.063 155.166 -1.74429 213.788 18.4099 PRESSAVG: 1661600 -47.8185 29.8588 -5.37986 29.8586 17.2186 35.6817 -5.37986 35.6816 -3.57301 GPRESSAVG: 1661600 -46.4716 26.0956 -6.03548 32.5472 16.7107 38.8225 -6.16491 36.9567 -4.81894 TIMING: 1661600 CPU: 4943.6, 0.00297977/step Wall: 4943.6, 0.00297977/step, 2.76324 hours remaining, 206.054688 MB of memory in use. ENERGY: 1661600 737.9867 2090.9505 1965.5058 108.2442 -206043.5158 17686.6918 0.0000 0.0000 34075.2825 -149378.8544 297.5879 -183454.1369 -149276.3539 298.0201 -46.9522 -17.9983 557740.2799 -11.3910 -11.5266 PRESSURE: 1661800 -153.86 -53.8877 -8.39222 -53.888 -24.3413 -106.227 -8.39238 -106.227 -39.6097 GPRESSURE: 1661800 -100.144 -80.113 63.3524 -71.0149 -16.7757 -141.926 13.9582 -20.093 -14.8968 PRESSAVG: 1661800 -33.916 -30.9066 -25.4805 -30.9066 53.9723 61.6842 -25.4804 61.6843 35.8968 GPRESSAVG: 1661800 -34.1825 -30.0746 -23.937 -31.2481 53.5821 59.9097 -26.237 62.2563 36.6802 TIMING: 1661800 CPU: 4944.19, 0.00297952/step Wall: 4944.19, 0.00297952/step, 2.76284 hours remaining, 206.054688 MB of memory in use. ENERGY: 1661800 743.0255 2122.6262 1946.9316 114.0672 -206548.2476 17846.1602 0.0000 0.0000 34418.8863 -149356.5506 300.5887 -183775.4369 -149247.8770 298.9279 -72.6038 -43.9389 557759.1178 18.6511 18.6932 PRESSURE: 1662000 180.255 24.2489 -86.7994 24.251 212.636 85.8286 -86.7989 85.8279 -48.3922 GPRESSURE: 1662000 163.271 9.48495 12.9019 75.5966 244.485 125.965 -87.5063 124.438 24.2667 PRESSAVG: 1662000 -40.7984 -16.5693 -46.1779 -16.5693 42.5685 50.5334 -46.1779 50.5334 1.27392 GPRESSAVG: 1662000 -41.3067 -13.9974 -43.9647 -19.0158 43.2531 52.592 -45.5291 47.8435 0.996502 TIMING: 1662000 CPU: 4944.79, 0.00298913/step Wall: 4944.79, 0.00298913/step, 2.77158 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: 1662000 717.9622 2123.6607 1955.9277 117.2628 -206374.9151 17949.9233 0.0000 0.0000 34251.1593 -149259.0190 299.1239 -183510.1784 -149165.4748 299.1760 114.8327 144.0076 557017.3091 1.0147 0.9810 PRESSURE: 1662200 170.54 -31.284 98.8257 -31.2844 -79.972 142.187 98.8262 142.187 -76.598 GPRESSURE: 1662200 218.284 11.5484 121.498 -81.2169 -58.863 255.751 63.5495 93.8446 -42.9721 PRESSAVG: 1662200 34.6059 -10.8739 9.27456 -10.8739 -13.1113 51.9987 9.27457 51.9989 -16.9936 GPRESSAVG: 1662200 35.9286 -11.2784 8.42127 -10.0973 -13.8955 51.6328 10.0859 53.1162 -17.3976 TIMING: 1662200 CPU: 4945.39, 0.00297123/step Wall: 4945.39, 0.00297123/step, 2.75483 hours remaining, 206.054688 MB of memory in use. ENERGY: 1662200 720.8204 2054.8673 1919.8035 94.7310 -205931.8501 17672.2879 0.0000 0.0000 33965.6848 -149503.6552 296.6308 -183469.3400 -149415.1143 298.6168 4.6567 38.8164 556461.8154 1.5003 1.5452 PRESSURE: 1662400 255.81 158.172 23.555 158.172 -87.3453 -125.109 23.556 -125.109 107.216 GPRESSURE: 1662400 276.583 101.329 96.2111 198.685 -31.9863 -132.844 -8.79462 8.44454 134.565 PRESSAVG: 1662400 66.6876 -47.9027 43.2398 -47.9026 -75.7707 42.8831 43.2399 42.8832 16.2122 GPRESSAVG: 1662400 65.6794 -49.8418 42.7538 -48.6258 -75.5184 42.1703 42.8331 42.5904 17.2935 TIMING: 1662400 CPU: 4945.98, 0.00296666/step Wall: 4945.98, 0.00296666/step, 2.75043 hours remaining, 206.054688 MB of memory in use. ENERGY: 1662400 706.8289 2076.5149 1935.8673 127.6107 -206332.3638 17801.0787 0.0000 0.0000 34224.2822 -149460.1810 298.8892 -183684.4632 -149368.8353 298.2516 91.8936 126.3874 555706.9920 2.3764 2.4848 PRESSURE: 1662600 63.1853 29.9531 -110.221 29.9525 46.9875 -34.5832 -110.221 -34.5828 333.311 GPRESSURE: 1662600 112.178 154.08 -70.5333 34.0371 67.4902 -18.0595 -90.9249 52.1709 354.209 PRESSAVG: 1662600 30.1691 -43.3872 17.2833 -43.3873 -99.1382 26.8337 17.2833 26.8336 114.534 GPRESSAVG: 1662600 30.6878 -43.6237 16.0123 -42.9267 -98.0841 27.835 17.8712 27.4745 113.137 TIMING: 1662600 CPU: 4946.57, 0.00297057/step Wall: 4946.57, 0.00297057/step, 2.75389 hours remaining, 206.054688 MB of memory in use. ENERGY: 1662600 758.6414 2153.8324 1913.0080 122.8333 -206379.5818 17907.4808 0.0000 0.0000 34218.5837 -149305.2022 298.8394 -183523.7858 -149207.7154 298.8746 147.8279 177.9592 554005.1303 15.1883 15.2470 PRESSURE: 1662800 50.9651 92.2023 123.409 92.2018 62.2568 144.645 123.408 144.646 15.2805 GPRESSURE: 1662800 32.0662 103.191 130.643 93.6804 79.2245 148.677 109.525 65.9585 109.342 PRESSAVG: 1662800 29.1543 14.795 8.35441 14.7949 -3.73748 61.6853 8.35431 61.6853 2.89982 GPRESSAVG: 1662800 28.7175 15.1399 7.20098 15.2619 -5.62248 61.7352 9.03067 59.8615 5.38623 TIMING: 1662800 CPU: 4947.16, 0.00295065/step Wall: 4947.16, 0.00295065/step, 2.73526 hours remaining, 206.054688 MB of memory in use. ENERGY: 1662800 745.9271 2097.6095 1965.0077 109.1931 -206104.9362 17791.5730 0.0000 0.0000 34265.9049 -149129.7208 299.2527 -183395.6258 -149035.5204 299.3036 42.8342 73.5443 557336.5357 9.4389 9.4938 PRESSURE: 1663000 -62.0526 39.0803 -28.1207 39.0824 -11.756 24.489 -28.1211 24.4886 -31.8247 GPRESSURE: 1663000 -47.4928 9.07292 -76.3877 17.8563 23.1778 117.922 -22.5426 -10.4614 13.7337 PRESSAVG: 1663000 9.23888 38.4654 10.1493 38.4655 -27.319 10.743 10.1493 10.743 37.4713 GPRESSAVG: 1663000 8.8161 38.8787 11.5765 36.7015 -25.9799 11.1704 8.2679 11.7084 36.5107 TIMING: 1663000 CPU: 4947.75, 0.00295276/step Wall: 4947.75, 0.00295276/step, 2.73704 hours remaining, 206.054688 MB of memory in use. ENERGY: 1663000 747.1043 2114.8303 1943.6249 129.1309 -206019.5969 17707.7137 0.0000 0.0000 34359.7507 -149017.4421 300.0722 -183377.1928 -148925.9881 299.4116 -35.2111 -3.5271 558023.1369 6.4638 6.4490 PRESSURE: 1663200 127.932 -139.357 -239.224 -139.358 -54.2793 -114.598 -239.224 -114.598 -186.793 GPRESSURE: 1663200 138.379 -211.33 -208.194 -75.8784 -51.4518 -98.7544 -184.778 -65.3747 -117.541 PRESSAVG: 1663200 87.8689 -5.91232 -34.1603 -5.91229 -61.9249 -0.468272 -34.1604 -0.468267 -19.4969 GPRESSAVG: 1663200 87.944 -6.16879 -34.6639 -4.92106 -63.1934 -2.29989 -32.8963 -0.930071 -18.766 TIMING: 1663200 CPU: 4948.35, 0.00296556/step Wall: 4948.35, 0.00296556/step, 2.74875 hours remaining, 206.054688 MB of memory in use. ENERGY: 1663200 724.8627 2140.8128 1948.4647 116.9677 -206060.8952 17680.2334 0.0000 0.0000 34266.6809 -149182.8731 299.2594 -183449.5540 -149080.1702 299.4231 -37.7133 -10.2045 557834.1811 2.1490 1.9949 PRESSURE: 1663400 -232.378 64.8606 24.9124 64.8614 -216.535 -51.8749 24.9125 -51.8746 -164.813 GPRESSURE: 1663400 -192.45 94.9823 -1.00469 57.8371 -212.39 -37.9784 78.2865 32.1848 -108.942 PRESSAVG: 1663400 71.8251 -0.582923 -4.05382 -0.582796 -92.4544 -52.8312 -4.0538 -52.8311 -19.5887 GPRESSAVG: 1663400 72.2481 -3.17537 -3.44508 0.0531641 -91.8262 -53.1767 -3.07539 -50.6485 -21.0473 TIMING: 1663400 CPU: 4948.94, 0.00296931/step Wall: 4948.94, 0.00296931/step, 2.75205 hours remaining, 206.054688 MB of memory in use. ENERGY: 1663400 758.9604 2117.0957 1946.6868 113.4162 -206135.1593 17693.5821 0.0000 0.0000 34243.8905 -149261.5276 299.0604 -183505.4181 -149163.9938 298.7168 -204.5750 -171.2609 558365.8926 -13.4060 -13.5418 PRESSURE: 1663600 159.197 -26.8569 -203.743 -26.8578 -158.038 -23.1294 -203.743 -23.1276 202.441 GPRESSURE: 1663600 223.497 23.3076 -199.751 -44.39 -143.682 -77.0578 -254.081 -39.893 227.844 PRESSAVG: 1663600 21.4158 -5.3956 9.08037 -5.39567 15.6163 -132.604 9.08041 -132.604 2.50132 GPRESSAVG: 1663600 21.9504 -3.3253 9.70009 -3.38652 15.4332 -131.031 7.36711 -133.429 2.23615 TIMING: 1663600 CPU: 4949.54, 0.00298601/step Wall: 4949.54, 0.00298601/step, 2.76737 hours remaining, 206.054688 MB of memory in use. ENERGY: 1663600 727.6044 2101.6947 1904.1165 105.0823 -206222.7274 17844.0198 0.0000 0.0000 34308.8576 -149231.3519 299.6278 -183540.2096 -149142.1744 299.3615 67.8669 102.5532 555750.4287 13.1778 13.2066 PRESSURE: 1663800 -183.779 161.907 68.3052 161.908 118.887 15.2579 68.3056 15.2587 66.829 GPRESSURE: 1663800 -119.499 146.214 103.776 157.512 145.692 10.5083 62.1539 34.8571 66.2503 PRESSAVG: 1663800 5.24281 79.5678 44.9733 79.5678 -29.5501 -5.00322 44.9733 -5.00323 8.84029 GPRESSAVG: 1663800 4.30479 79.1796 44.825 76.9974 -29.4408 -3.02029 45.7381 -7.87154 9.55428 TIMING: 1663800 CPU: 4950.14, 0.00298885/step Wall: 4950.14, 0.00298885/step, 2.76983 hours remaining, 206.054688 MB of memory in use. ENERGY: 1663800 724.2293 2078.6612 1902.1196 105.7730 -206375.6434 17906.1625 0.0000 0.0000 34241.4649 -149417.2328 299.0392 -183658.6977 -149313.7932 299.2309 0.6457 30.8143 558001.3113 -5.1557 -5.1939 PRESSURE: 1664000 -377.553 75.8441 -63.6649 75.8431 53.0788 -2.15259 -63.6657 -2.15219 -60.3829 GPRESSURE: 1664000 -261.847 21.7765 -8.59931 159.128 64.5956 -13.2924 -71.3537 35.1629 -75.2827 PRESSAVG: 1664000 -44.301 35.0723 28.9713 35.0723 107.245 -10.0257 28.9713 -10.0256 -66.9628 GPRESSAVG: 1664000 -43.8698 34.0755 29.791 35.4749 107.243 -12.8264 27.641 -7.58875 -66.9412 TIMING: 1664000 CPU: 4950.73, 0.00298624/step Wall: 4950.73, 0.00298624/step, 2.76725 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: 1664000 763.9250 2082.0382 1934.5957 108.5618 -206107.7042 17760.2196 0.0000 0.0000 34282.6838 -149175.6801 299.3992 -183458.3639 -149080.7754 298.5194 -128.2855 -90.8448 559003.9665 -1.3397 -1.1892 PRESSURE: 1664200 -74.302 -135.02 -113.937 -135.017 -162.242 14.9711 -113.936 14.9695 -280.495 GPRESSURE: 1664200 -10.4007 -206.449 -210.073 -71.8039 -209.325 18.1152 -82.614 16.5626 -196.608 PRESSAVG: 1664200 6.0084 -22.0757 -36.1263 -22.0758 -15.7802 -43.6531 -36.1262 -43.6531 5.10695 GPRESSAVG: 1664200 5.94378 -20.6207 -38.4354 -21.6515 -16.3087 -43.7212 -33.7086 -44.9369 5.83658 TIMING: 1664200 CPU: 4951.33, 0.00296245/step Wall: 4951.33, 0.00296245/step, 2.74504 hours remaining, 206.054688 MB of memory in use. ENERGY: 1664200 745.8578 2055.3338 1929.9582 123.0593 -205534.5533 17432.1956 0.0000 0.0000 33987.6163 -149260.5323 296.8223 -183248.1486 -149169.5349 298.8872 -172.3462 -138.7781 558961.4400 -1.5549 -1.5095 LDB: ============= START OF LOAD BALANCING ============== 4954.75 LDB: ============== END OF LOAD BALANCING =============== 4954.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4954.75 LDB: ============= START OF LOAD BALANCING ============== 4955.05 LDB: Largest compute 4821 load 0.026231 is 22.2% of average load 0.118122 LDB: Average compute 0.001711 is 1.4% of average load 0.118122 LDB: TIME 4955.05 LOAD: AVG 0.118122 MAX 0.200206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.789 MB LDB: TIME 4955.05 LOAD: AVG 0.118122 MAX 0.200206 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.789 MB LDB: TIME 4955.06 LOAD: AVG 0.118122 MAX 0.200206 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.789 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4955.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4955.06 PRESSURE: 1664400 -62.0021 10.0573 -93.2292 10.0575 5.06186 -127.829 -93.2287 -127.829 -56.2792 GPRESSURE: 1664400 -28.8898 63.0004 -84.8562 44.9819 51.5252 -69.6113 -34.6209 -142.13 -28.4219 PRESSAVG: 1664400 31.5902 -14.8427 13.701 -14.8427 13.076 -9.29696 13.7009 -9.29691 1.65206 GPRESSAVG: 1664400 31.4465 -15.3021 13.4984 -14.4512 14.2971 -9.39244 13.4714 -7.94162 1.04355 TIMING: 1664400 CPU: 4951.93, 0.00302451/step Wall: 4951.93, 0.00302451/step, 2.80238 hours remaining, 205.667969 MB of memory in use. ENERGY: 1664400 772.3567 2098.7581 1944.8643 101.7961 -206223.9322 17768.9025 0.0000 0.0000 34162.8060 -149374.4486 298.3523 -183537.2546 -149280.6563 298.3252 -37.7398 -1.9288 557062.9973 15.4394 15.5957 PRESSURE: 1664600 -26.9788 -1.26092 6.22098 -1.26047 -122.241 50.3268 6.21934 50.3266 29.7715 GPRESSURE: 1664600 -19.8442 28.1157 -18.2429 -45.0809 -116.397 94.9093 43.4757 58.1764 107.343 PRESSAVG: 1664600 -23.5359 -10.1448 -38.1629 -10.1449 62.524 30.1733 -38.163 30.1735 -1.70825 GPRESSAVG: 1664600 -23.7188 -9.68516 -35.958 -11.9949 61.9377 31.592 -40.5349 29.8207 -1.09444 TIMING: 1664600 CPU: 4952.53, 0.00298727/step Wall: 4952.53, 0.00298727/step, 2.76771 hours remaining, 205.667969 MB of memory in use. ENERGY: 1664600 757.6382 2099.2378 1971.0733 109.1951 -205994.6380 17652.5926 0.0000 0.0000 34055.0062 -149349.8947 297.4108 -183404.9009 -149246.4149 299.0629 -39.8160 -9.6329 558263.1690 12.4266 12.3748 PRESSURE: 1664800 -38.1925 -87.7284 57.436 -87.7278 -102.089 175.929 57.4371 175.93 -95.1871 GPRESSURE: 1664800 -4.52386 -54.7181 20.5399 -26.6577 -42.4165 99.167 11.5447 138.16 -88.172 PRESSAVG: 1664800 -19.1469 -36.7071 4.32191 -36.7071 0.374843 46.6954 4.32191 46.6956 -12.8615 GPRESSAVG: 1664800 -17.8948 -37.8409 1.7123 -34.6576 0.0822395 44.235 5.84162 46.7956 -13.7224 TIMING: 1664800 CPU: 4953.12, 0.00297558/step Wall: 4953.12, 0.00297558/step, 2.75671 hours remaining, 205.667969 MB of memory in use. ENERGY: 1664800 750.9580 2056.7182 1965.4309 111.1057 -206050.6558 17679.2165 0.0000 0.0000 34211.2573 -149275.9693 298.7754 -183487.2265 -149182.2559 298.5268 -78.4897 -45.0375 558083.6981 -10.5445 -10.5117 PRESSURE: 1665000 -65.1435 -38.5188 10.2683 -38.5205 10.6317 -27.5205 10.2682 -27.5184 43.8322 GPRESSURE: 1665000 -63.2867 -63.9898 47.6862 -42.6872 121.763 38.5787 -51.4831 -42.1336 29.9527 PRESSAVG: 1665000 -8.2402 -57.7569 3.59434 -57.757 -9.02278 -29.9132 3.59427 -29.9132 11.1187 GPRESSAVG: 1665000 -9.23515 -56.006 5.52791 -58.9906 -8.57866 -27.2624 2.83604 -32.5952 11.6572 TIMING: 1665000 CPU: 4953.72, 0.00297448/step Wall: 4953.72, 0.00297448/step, 2.75553 hours remaining, 205.667969 MB of memory in use. ENERGY: 1665000 784.7852 2084.5591 1939.3120 100.1229 -206382.7548 17852.7898 0.0000 0.0000 34295.1662 -149326.0196 299.5082 -183621.1859 -149232.0691 298.7569 -3.5599 29.4764 556677.3540 -2.0481 -2.0522 PRESSURE: 1665200 -65.5257 -158.459 54.7918 -158.46 -93.6431 118.738 54.7917 118.74 74.3977 GPRESSURE: 1665200 -37.574 -155.944 74.4408 -154.616 -67.8173 157.663 -18.4266 166.1 127.094 PRESSAVG: 1665200 34.618 -27.6259 -91.7058 -27.626 -9.61789 -26.0898 -91.7058 -26.0898 -15.6745 GPRESSAVG: 1665200 33.7763 -28.5141 -92.9611 -26.8146 -8.49166 -26.4296 -89.7335 -24.1463 -15.7279 TIMING: 1665200 CPU: 4954.32, 0.00298758/step Wall: 4954.32, 0.00298758/step, 2.7675 hours remaining, 205.667969 MB of memory in use. ENERGY: 1665200 756.1606 2073.6005 1957.5095 121.5105 -206229.9313 17899.1798 0.0000 0.0000 34107.7541 -149314.2163 297.8715 -183421.9704 -149223.5327 299.0787 -28.2570 7.2344 557844.5943 3.1085 3.1856 PRESSURE: 1665400 -287.25 106.115 108.096 106.116 -80.2475 71.6438 108.095 71.6443 -14.3306 GPRESSURE: 1665400 -215.794 -22.5517 103.316 84.4075 -63.3929 -10.1483 185.942 133.777 -7.17762 PRESSAVG: 1665400 0.188859 -18.1598 -8.23421 -18.1598 -16.843 9.83149 -8.23424 9.83144 59.4893 GPRESSAVG: 1665400 2.11263 -17.4678 -8.42315 -19.2685 -19.1364 7.7242 -9.44255 10.8854 59.4909 TIMING: 1665400 CPU: 4954.92, 0.00300546/step Wall: 4954.92, 0.00300546/step, 2.78389 hours remaining, 205.667969 MB of memory in use. ENERGY: 1665400 756.0948 2035.0618 1938.7429 111.4617 -206492.4294 17928.0775 0.0000 0.0000 34386.1146 -149336.8762 300.3025 -183722.9908 -149230.2241 298.8263 -127.2760 -95.4547 559044.2554 14.2784 14.1557 PRESSURE: 1665600 -19.718 -63.6719 8.87281 -63.6738 -167.219 90.662 8.87268 90.6629 -392.622 GPRESSURE: 1665600 18.6292 -97.1009 49.1299 -17.8727 -138.592 97.5859 11.0642 167.863 -358.948 PRESSAVG: 1665600 47.0724 -26.7442 -2.7092 -26.7443 -62.921 -61.3308 -2.70909 -61.3307 14.5294 GPRESSAVG: 1665600 46.3402 -28.0774 -2.36698 -25.1577 -62.6271 -62.6143 -4.0812 -60.648 15.1514 TIMING: 1665600 CPU: 4955.52, 0.0029881/step Wall: 4955.52, 0.0029881/step, 2.76765 hours remaining, 205.667969 MB of memory in use. ENERGY: 1665600 749.6053 2080.5879 1919.8067 104.0413 -206049.1799 17564.8337 0.0000 0.0000 34328.3992 -149301.9058 299.7984 -183630.3050 -149203.6982 299.3669 -193.1861 -159.6370 559628.5398 -0.4397 -0.3785 PRESSURE: 1665800 -67.6152 -209.64 93.7363 -209.639 -220.207 88.895 93.736 88.8947 -336.522 GPRESSURE: 1665800 -13.8862 -108.102 119.252 -288.338 -227.331 86.7006 62.8198 38.9579 -275.167 PRESSAVG: 1665800 12.2182 -30.2971 31.6766 -30.2971 10.801 -67.7287 31.6767 -67.7287 -47.7059 GPRESSAVG: 1665800 11.9528 -28.662 30.6388 -31.3398 11.3457 -63.6221 34.0467 -69.6931 -47.9055 TIMING: 1665800 CPU: 4956.11, 0.00297071/step Wall: 4956.11, 0.00297071/step, 2.75137 hours remaining, 205.667969 MB of memory in use. ENERGY: 1665800 760.1884 2083.2465 1950.0840 123.0929 -205968.4372 17610.4993 0.0000 0.0000 34184.6093 -149256.7166 298.5427 -183441.3260 -149155.2635 299.1056 -208.1148 -172.1281 558492.5669 -8.2289 -8.2023 PRESSURE: 1666000 31.6594 -55.0033 -166.704 -55.0037 85.8175 -22.723 -166.704 -22.7238 12.1996 GPRESSURE: 1666000 63.6069 -66.2309 -206.803 -66.2363 52.6717 -13.7021 -128.551 -34.7177 101.85 PRESSAVG: 1666000 41.9682 -71.577 -14.6106 -71.577 45.1348 33.6303 -14.6104 33.6303 -73.6838 GPRESSAVG: 1666000 42.0044 -70.827 -14.0344 -72.1927 44.9435 32.2365 -15.0749 33.5136 -73.9686 TIMING: 1666000 CPU: 4956.7, 0.00297204/step Wall: 4956.7, 0.00297204/step, 2.75244 hours remaining, 205.667969 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: 1666000 719.0419 2117.3134 1915.9499 119.3936 -206419.7394 17812.6993 0.0000 0.0000 34419.4428 -149315.8985 300.5936 -183735.3413 -149215.8475 299.1065 43.2255 72.7095 557218.9643 4.4731 4.3264 PRESSURE: 1666200 -166.598 -18.5061 -34.7884 -18.507 86.7408 2.06768 -34.7878 2.06755 -118.457 GPRESSURE: 1666200 -94.9702 10.3799 -10.5387 -60.5204 55.7455 -75.6581 -22.7859 21.1873 -46.4767 PRESSAVG: 1666200 -36.1605 -33.7383 -56.7617 -33.7383 40.9485 -0.462425 -56.7617 -0.462418 -19.2559 GPRESSAVG: 1666200 -36.1559 -33.9619 -55.5376 -33.0653 41.799 -0.191755 -57.3456 0.658048 -20.274 TIMING: 1666200 CPU: 4957.3, 0.00298313/step Wall: 4957.3, 0.00298313/step, 2.76254 hours remaining, 205.667969 MB of memory in use. ENERGY: 1666200 718.8727 2116.0354 1952.8440 113.6100 -206158.9749 17689.5789 0.0000 0.0000 34192.0324 -149376.0014 298.6075 -183568.0338 -149281.8890 299.0797 -66.1047 -28.5671 557751.5073 -4.8226 -4.8770 PRESSURE: 1666400 105.609 80.5851 -26.1204 80.5844 168.615 43.979 -26.1218 43.9785 249.868 GPRESSURE: 1666400 176.197 74.2567 17.5262 57.3107 221.534 66.8082 -45.102 0.433003 221.736 PRESSAVG: 1666400 14.4592 -33.5304 7.37857 -33.5304 18.1026 19.1859 7.37865 19.1859 -32.3187 GPRESSAVG: 1666400 14.702 -34.8797 5.57206 -31.043 17.5849 20.0786 7.6659 17.6568 -31.4609 TIMING: 1666400 CPU: 4957.9, 0.0029912/step Wall: 4957.9, 0.0029912/step, 2.76985 hours remaining, 205.667969 MB of memory in use. ENERGY: 1666400 740.1032 2113.7290 1936.4057 120.4662 -206299.7586 17968.7392 0.0000 0.0000 34271.7798 -149148.5354 299.3040 -183420.3152 -149055.4337 298.7017 174.6970 206.4891 557461.1743 0.0810 0.2753 PRESSURE: 1666600 -50.3078 -57.1567 -141.546 -57.156 -140.23 138.281 -141.546 138.283 -232.492 GPRESSURE: 1666600 -43.9046 -15.579 -152.461 -81.5037 -98.3974 164.291 -46.5724 68.3399 -177.51 PRESSAVG: 1666600 -20.1252 -59.3061 -1.10855 -59.3061 20.6644 68.6295 -1.10852 68.6295 16.393 GPRESSAVG: 1666600 -20.058 -57.5103 -1.96256 -59.6195 21.1361 67.6707 -1.4279 69.0702 16.6705 TIMING: 1666600 CPU: 4958.49, 0.00298037/step Wall: 4958.49, 0.00298037/step, 2.75965 hours remaining, 205.667969 MB of memory in use. ENERGY: 1666600 723.0527 2165.2160 1952.9130 112.3620 -205981.2927 17471.9676 0.0000 0.0000 34127.9900 -149427.7914 298.0482 -183555.7814 -149319.7015 299.2308 -141.0099 -106.6041 557500.6731 5.6441 5.9162 PRESSURE: 1666800 -66.0891 81.4636 4.8508 81.4626 -17.3834 -51.6243 4.85009 -51.6239 -13.2009 GPRESSURE: 1666800 -3.87304 23.4478 79.1634 48.0469 -16.6495 -99.5249 3.31133 -97.295 19.1727 PRESSAVG: 1666800 1.28789 10.0073 -31.7819 10.0073 -48.6618 8.18608 -31.7819 8.18609 19.5395 GPRESSAVG: 1666800 2.39073 8.41765 -31.0168 10.3548 -49.5385 7.47965 -33.8564 9.44345 19.1672 TIMING: 1666800 CPU: 4959.09, 0.00298531/step Wall: 4959.09, 0.00298531/step, 2.76406 hours remaining, 205.667969 MB of memory in use. ENERGY: 1666800 726.4613 2166.7590 1909.7485 107.3101 -206162.4199 17618.8655 0.0000 0.0000 34232.1461 -149401.1295 298.9578 -183633.2756 -149297.0630 298.6081 -32.2245 -0.4499 558008.8200 -9.2781 -9.3269 PRESSURE: 1667000 89.1803 -102.995 118.926 -102.995 -48.7133 -175.404 118.925 -175.403 17.2014 GPRESSURE: 1667000 80.2406 -146.293 143.017 -137.428 8.66949 -112.392 141.649 -195.189 75.793 PRESSAVG: 1667000 74.2153 -24.8478 -16.0334 -24.8478 -49.3413 -2.80728 -16.0333 -2.80726 -17.6394 GPRESSAVG: 1667000 72.6528 -23.8819 -13.5771 -25.3925 -48.1043 -3.62253 -13.2294 -3.82782 -17.1624 TIMING: 1667000 CPU: 4959.69, 0.00298392/step Wall: 4959.69, 0.00298392/step, 2.76261 hours remaining, 205.667969 MB of memory in use. ENERGY: 1667000 737.8217 2083.8924 1960.1142 108.3752 -206296.2299 17962.6280 0.0000 0.0000 34318.7416 -149124.6568 299.7141 -183443.3984 -149028.0007 299.2546 19.2228 54.9010 556878.8118 2.4115 2.4620 PRESSURE: 1667200 37.0833 -18.0805 5.15547 -18.0807 -15.9467 16.5088 5.15568 16.5083 -74.1575 GPRESSURE: 1667200 83.7084 5.73793 -75.6019 26.7367 5.81993 50.5197 32.3832 27.511 -47.6548 PRESSAVG: 1667200 -50.887 -21.5278 101.092 -21.5277 45.6362 -21.575 101.092 -21.575 49.5197 GPRESSAVG: 1667200 -50.9808 -22.7908 98.5731 -21.8143 45.1661 -19.9428 99.6416 -21.7205 49.8766 TIMING: 1667200 CPU: 4960.28, 0.00296986/step Wall: 4960.28, 0.00296986/step, 2.74943 hours remaining, 205.667969 MB of memory in use. ENERGY: 1667200 802.5115 2065.8333 1925.1892 112.3786 -206206.3780 17965.3628 0.0000 0.0000 34203.9225 -149131.1802 298.7114 -183335.1027 -149029.9735 299.8351 -17.6737 13.9578 556390.1134 14.7563 14.6873 PRESSURE: 1667400 -216.068 -138.64 90.1433 -138.639 189.134 -142.307 90.144 -142.307 45.6593 GPRESSURE: 1667400 -183.877 -131.17 103.376 -175.819 243.59 -120.223 74.4138 -135.736 54.5188 PRESSAVG: 1667400 -0.0506186 -72.2953 -39.2774 -72.2953 41.7479 -32.081 -39.2774 -32.081 -11.04 GPRESSAVG: 1667400 0.510563 -69.9994 -40.9099 -71.9994 42.1643 -34.0321 -36.4811 -30.1618 -12.0282 TIMING: 1667400 CPU: 4960.88, 0.00297398/step Wall: 4960.88, 0.00297398/step, 2.75308 hours remaining, 205.667969 MB of memory in use. ENERGY: 1667400 766.5032 2118.0136 1905.5036 126.0058 -206092.1474 17606.0731 0.0000 0.0000 34420.2075 -149149.8407 300.6002 -183570.0481 -149058.5048 299.3794 6.2419 38.0770 555297.8411 10.2191 10.2156 PRESSURE: 1667600 -133.123 32.5103 -83.4754 32.5105 -157.993 -100.247 -83.4751 -100.248 -50.1618 GPRESSURE: 1667600 -155.636 42.4738 -93.2276 43.277 -52.6966 -70.6194 -41.7036 -75.1225 -39.9099 PRESSAVG: 1667600 -68.4554 -123.882 46.1572 -123.882 60.0572 -49.8723 46.1572 -49.8723 20.6171 GPRESSAVG: 1667600 -68.8633 -125.41 49.8389 -125.335 60.3177 -47.6149 41.7681 -52.179 20.7086 TIMING: 1667600 CPU: 4961.48, 0.00299019/step Wall: 4961.48, 0.00299019/step, 2.76792 hours remaining, 205.667969 MB of memory in use. ENERGY: 1667600 792.0405 2097.2555 1943.6478 99.8373 -206167.3532 17690.3352 0.0000 0.0000 34214.4422 -149329.7947 298.8032 -183544.2369 -149235.1463 299.3975 -113.7593 -82.7474 556798.8393 4.0730 4.0543 PRESSURE: 1667800 -201.061 179.165 -135.355 179.166 -68.295 91.0317 -135.355 91.0304 -121.434 GPRESSURE: 1667800 -146.911 145.153 -141.163 188.863 -45.59 101.591 -96.7442 90.2327 -99.0774 PRESSAVG: 1667800 11.7066 3.77978 -12.8172 3.77969 8.45438 -25.998 -12.8172 -25.9981 11.431 GPRESSAVG: 1667800 11.4581 2.94005 -14.5135 5.21079 8.48004 -25.3809 -10.5884 -22.7404 12.5395 TIMING: 1667800 CPU: 4962.07, 0.00299219/step Wall: 4962.07, 0.00299219/step, 2.76961 hours remaining, 205.667969 MB of memory in use. ENERGY: 1667800 687.5674 2099.9580 1911.8305 104.3043 -205897.6679 17497.9725 0.0000 0.0000 34095.5183 -149500.5170 297.7646 -183596.0352 -149402.8132 298.4936 -130.2634 -97.1929 557478.9279 10.5307 10.8259 PRESSURE: 1668000 -338.918 -31.9256 -49.2494 -31.9257 0.5972 89.3422 -49.2482 89.3428 -40.4669 GPRESSURE: 1668000 -333.582 -18.19 -65.1997 -6.16348 39.1192 92.9943 -67.5739 64.1587 28.4792 PRESSAVG: 1668000 -26.3854 -13.9542 -1.20444 -13.9543 17.9139 9.15306 -1.20446 9.15294 -9.21419 GPRESSAVG: 1668000 -26.1802 -12.9399 -0.355223 -15.3156 18.1307 7.46131 -1.84028 6.76285 -9.3451 TIMING: 1668000 CPU: 4962.67, 0.00296686/step Wall: 4962.67, 0.00296686/step, 2.746 hours remaining, 205.667969 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: 1668000 751.1133 2042.7714 1910.3477 112.0935 -206122.9068 17809.1480 0.0000 0.0000 33927.4616 -149569.9713 296.2970 -183497.4329 -149479.8710 297.8331 -126.2627 -88.6612 559169.0692 -5.8952 -5.7982 PRESSURE: 1668200 15.3993 14.6374 26.4965 14.6363 -149.829 -87.6708 26.4959 -87.6708 -142.22 GPRESSURE: 1668200 -9.65812 -4.73864 133.74 -5.5835 -91.6271 -52.2943 -24.0082 -132.945 -84.2783 PRESSAVG: 1668200 -26.1066 -51.6161 19.8845 -51.6161 -7.4557 43.1582 19.8845 43.1583 21.0537 GPRESSAVG: 1668200 -26.9242 -52.2596 19.4351 -50.6904 -7.02117 43.4902 20.0408 43.0697 21.1025 TIMING: 1668200 CPU: 4963.26, 0.00298872/step Wall: 4963.26, 0.00298872/step, 2.76606 hours remaining, 205.667969 MB of memory in use. ENERGY: 1668200 736.2908 2018.4859 1926.4657 108.1445 -206354.2352 17928.7304 0.0000 0.0000 34134.7483 -149501.3696 298.1072 -183636.1179 -149402.7236 297.5336 -92.2166 -61.8545 557884.7089 -4.1695 -4.2810 LDB: ============= START OF LOAD BALANCING ============== 4966.7 LDB: ============== END OF LOAD BALANCING =============== 4966.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4966.7 LDB: ============= START OF LOAD BALANCING ============== 4967 LDB: Largest compute 4821 load 0.027259 is 23.1% of average load 0.118040 LDB: Average compute 0.001701 is 1.4% of average load 0.118040 LDB: TIME 4967 LOAD: AVG 0.11804 MAX 0.200022 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.93 MB LDB: TIME 4967 LOAD: AVG 0.11804 MAX 0.200022 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.93 MB LDB: TIME 4967 LOAD: AVG 0.11804 MAX 0.200022 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4967 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4967.01 PRESSURE: 1668400 -154.852 -30.534 -24.0506 -30.533 308.432 -145.508 -24.0502 -145.508 30.7787 GPRESSURE: 1668400 -93.271 24.4777 8.99897 -38.5346 361.71 -96.8776 -70.9198 -84.3532 -3.6537 PRESSAVG: 1668400 -28.4107 -41.0972 16.2052 -41.0972 -43.7433 3.99286 16.2053 3.99289 22.4135 GPRESSAVG: 1668400 -27.5325 -39.1937 16.1644 -41.1038 -43.6914 3.75085 17.7993 6.58488 21.6995 TIMING: 1668400 CPU: 4963.88, 0.00305863/step Wall: 4963.88, 0.00305863/step, 2.83059 hours remaining, 206.894531 MB of memory in use. ENERGY: 1668400 725.0028 2075.5585 1923.8472 111.6528 -206269.1084 17923.6876 0.0000 0.0000 34180.0863 -149329.2732 298.5032 -183509.3595 -149230.0073 297.6779 61.4531 88.2618 557490.9921 -16.5801 -16.5081 PRESSURE: 1668600 -42.5465 -31.4468 175.169 -31.4474 -195.821 -111.093 175.169 -111.092 24.5446 GPRESSURE: 1668600 0.254744 -48.2272 206.677 37.0473 -130.215 -20.321 163.109 -225.873 15.4443 PRESSAVG: 1668600 -8.95057 27.973 -13.9588 27.973 -15.9694 -58.9375 -13.9588 -58.9376 10.0745 GPRESSAVG: 1668600 -9.52971 26.186 -13.466 27.8729 -15.2784 -58.4428 -14.4605 -59.2477 9.95692 TIMING: 1668600 CPU: 4964.48, 0.00300459/step Wall: 4964.48, 0.00300459/step, 2.78041 hours remaining, 207.097656 MB of memory in use. ENERGY: 1668600 769.0585 2044.2770 1921.0011 109.3052 -206378.8465 17836.5654 0.0000 0.0000 34327.8021 -149370.8372 299.7932 -183698.6393 -149278.9036 298.7559 -71.2745 -38.1722 556643.5964 -4.9485 -4.9504 PRESSURE: 1668800 -4.6294 71.4442 -22.741 71.4442 221.677 30.0371 -22.7412 30.0375 76.5571 GPRESSURE: 1668800 42.6908 36.7917 -92.9987 19.6167 192.628 47.0481 -32.3836 108.559 168.941 PRESSAVG: 1668800 -26.0201 43.0092 -18.326 43.0092 80.6904 10.5991 -18.3259 10.5991 -19.5138 GPRESSAVG: 1668800 -25.1442 43.1735 -18.2414 42.7646 78.9174 11.3431 -17.6483 10.0163 -19.2499 TIMING: 1668800 CPU: 4965.08, 0.00299895/step Wall: 4965.08, 0.00299895/step, 2.77503 hours remaining, 207.097656 MB of memory in use. ENERGY: 1668800 720.2836 2150.4731 1946.4009 117.1593 -206584.4432 17927.5037 0.0000 0.0000 34149.7176 -149572.9050 298.2380 -183722.6226 -149474.8497 299.1747 97.8682 134.7536 556553.3564 11.7188 11.5078 PRESSURE: 1669000 -37.0164 24.4125 10.7269 24.4125 -63.984 -7.49798 10.724 -7.50024 191.302 GPRESSURE: 1669000 -42.7816 15.1138 -40.5615 40.9197 -40.2318 -71.4787 65.6592 70.4885 262.794 PRESSAVG: 1669000 28.3343 0.772174 6.35415 0.772047 -21.7266 77.802 6.35415 77.802 15.3795 GPRESSAVG: 1669000 28.4572 -0.049548 6.59123 2.40614 -21.0494 77.4084 4.96215 76.2795 14.6991 TIMING: 1669000 CPU: 4965.67, 0.00296757/step Wall: 4965.67, 0.00296757/step, 2.74583 hours remaining, 207.097656 MB of memory in use. ENERGY: 1669000 748.3954 2131.8529 1911.6049 126.2806 -206184.3643 17751.8455 0.0000 0.0000 34041.8700 -149472.5151 297.2961 -183514.3851 -149379.4619 298.5532 30.1004 59.9269 557136.3081 7.3291 7.3690 PRESSURE: 1669200 93.4335 142.301 58.4325 142.3 12.1636 -3.78184 58.4318 -3.78262 4.90448 GPRESSURE: 1669200 145.895 133.134 117.56 121.224 99.0301 57.0832 27.067 -64.1506 -18.2776 PRESSAVG: 1669200 -13.8621 8.62541 22.7184 8.6253 -22.9265 49.3564 22.7184 49.3564 35.696 GPRESSAVG: 1669200 -14.0838 8.88474 22.0788 8.0377 -23.6611 49.0991 22.1355 50.3202 36.3798 TIMING: 1669200 CPU: 4966.26, 0.00295896/step Wall: 4966.26, 0.00295896/step, 2.73769 hours remaining, 207.097656 MB of memory in use. ENERGY: 1669200 744.0707 2096.6514 1917.7802 110.0737 -206431.3754 17820.8261 0.0000 0.0000 34111.4526 -149630.5207 297.9038 -183741.9732 -149531.0847 298.9769 36.8339 75.5490 556028.7643 -0.3642 -0.4551 PRESSURE: 1669400 24.2271 -39.4293 120.623 -39.4286 -14.8504 75.7478 120.623 75.7471 328.068 GPRESSURE: 1669400 25.5475 3.91775 12.9417 -136.496 15.8336 75.3243 137.687 74.8299 389.02 PRESSAVG: 1669400 45.7322 -11.4531 27.4215 -11.453 -29.1741 4.81798 27.4215 4.81801 -19.5559 GPRESSAVG: 1669400 45.9699 -12.4884 24.0985 -12.8109 -28.4975 5.46586 29.4282 3.1568 -20.4378 TIMING: 1669400 CPU: 4966.85, 0.00296175/step Wall: 4966.85, 0.00296175/step, 2.74011 hours remaining, 207.097656 MB of memory in use. ENERGY: 1669400 741.0270 2103.1175 1961.2158 122.1012 -206417.0687 17923.3719 0.0000 0.0000 34157.3594 -149408.8759 298.3047 -183566.2353 -149310.9646 298.3344 112.4814 143.4669 556661.9412 -0.9993 -0.9885 PRESSURE: 1669600 -234.005 0.0584427 115.518 0.0584191 -172.107 69.7405 115.518 69.741 -226.564 GPRESSURE: 1669600 -212.868 75.6758 149.151 -22.5563 -103.2 71.3934 13.4701 77.8354 -219.546 PRESSAVG: 1669600 -48.2865 -9.01968 38.9664 -9.01969 -17.7654 0.822548 38.9664 0.822506 61.0259 GPRESSAVG: 1669600 -48.5525 -7.10014 41.8431 -7.83339 -18.3119 0.589132 36.6734 2.68428 61.7448 TIMING: 1669600 CPU: 4967.45, 0.00298728/step Wall: 4967.45, 0.00298728/step, 2.76356 hours remaining, 207.097656 MB of memory in use. ENERGY: 1669600 777.1836 2090.9271 1945.6313 115.9938 -205744.7943 17423.7006 0.0000 0.0000 34069.4075 -149321.9504 297.5366 -183391.3579 -149224.7859 299.0405 -210.8923 -178.5378 556971.7627 -1.6754 -1.7065 PRESSURE: 1669800 -294.383 -28.3671 -17.2986 -28.3659 -323.143 14.6388 -17.2997 14.6373 -397.401 GPRESSURE: 1669800 -212.97 -1.44462 -40.6784 16.6994 -285.216 104.152 -11.7667 -2.29715 -430.87 PRESSAVG: 1669800 -69.2115 1.79759 -2.03274 1.79748 61.1989 86.4543 -2.03266 86.4543 5.74539 GPRESSAVG: 1669800 -68.6228 2.81108 -3.39209 2.35216 61.7216 84.2631 0.870991 86.9657 4.84837 TIMING: 1669800 CPU: 4968.05, 0.00300189/step Wall: 4968.05, 0.00300189/step, 2.77691 hours remaining, 207.097656 MB of memory in use. ENERGY: 1669800 763.1749 2081.5878 1940.9959 125.7852 -205991.5246 17506.2979 0.0000 0.0000 34289.6009 -149284.0820 299.4596 -183573.6829 -149187.7460 298.2981 -338.3089 -309.6852 558536.0988 -0.7557 -0.6843 PRESSURE: 1670000 -276.315 208.635 -26.3793 208.634 304.94 -31.0397 -26.3781 -31.0378 71.0901 GPRESSURE: 1670000 -261.018 219.55 -0.529248 215.662 277.686 28.6549 -21.8943 -25.6346 167.123 PRESSAVG: 1670000 -86.137 80.2293 -26.1783 80.2293 50.7706 71.9408 -26.1783 71.9408 115.085 GPRESSAVG: 1670000 -86.4834 79.9259 -24.4368 79.5466 50.2383 71.9298 -27.604 70.7956 116.348 TIMING: 1670000 CPU: 4968.65, 0.00298247/step Wall: 4968.65, 0.00298247/step, 2.75878 hours remaining, 207.097656 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: 1670000 746.6345 2111.6879 1934.1990 101.1488 -206424.4916 17763.8420 0.0000 0.0000 34357.5425 -149409.4368 300.0530 -183766.9793 -149309.7289 298.9967 33.2384 61.2636 555585.6995 26.5727 26.7008 PRESSURE: 1670200 -63.9825 -117.763 -77.7356 -117.762 -42.0351 73.6743 -77.7355 73.6752 -115.366 GPRESSURE: 1670200 -48.1531 -108.163 -87.9961 -80.203 -42.351 128.131 -102.697 38.539 -32.7348 PRESSAVG: 1670200 -27.0802 -5.78891 -3.67718 -5.78899 -23.2151 29.8189 -3.67704 29.8189 44.321 GPRESSAVG: 1670200 -26.0421 -5.72257 -3.04194 -5.97567 -22.4448 32.0615 -3.861 29.2054 42.5148 TIMING: 1670200 CPU: 4969.25, 0.00297943/step Wall: 4969.25, 0.00297943/step, 2.75581 hours remaining, 207.097656 MB of memory in use. ENERGY: 1670200 733.4608 2180.4435 1914.6429 109.7519 -206224.0092 17760.5244 0.0000 0.0000 34151.2956 -149373.8901 298.2518 -183525.1858 -149276.3386 298.4154 -73.7946 -41.0797 557211.0331 -1.9914 -1.9907 PRESSURE: 1670400 129.264 24.3051 64.9182 24.3045 -38.1687 -126.33 64.9185 -126.331 46.2871 GPRESSURE: 1670400 181.687 21.7205 93.1979 21.311 -54.8552 -126.009 -15.2909 -176.733 106.132 PRESSAVG: 1670400 0.582021 -45.8953 -0.588036 -45.8953 4.23243 0.299765 -0.587996 0.299711 26.2886 GPRESSAVG: 1670400 -0.549704 -46.424 -1.80124 -46.4487 3.27621 -1.61092 -1.3621 0.911287 28.0297 TIMING: 1670400 CPU: 4969.84, 0.00295638/step Wall: 4969.84, 0.00295638/step, 2.73433 hours remaining, 207.097656 MB of memory in use. ENERGY: 1670400 741.2074 2142.1347 1943.3213 110.9093 -206175.2896 17915.8953 0.0000 0.0000 34026.4585 -149295.3631 297.1615 -183321.8216 -149197.5028 299.1320 45.7941 77.6549 557726.6433 10.3677 10.2521 PRESSURE: 1670600 26.9566 -124.795 -95.3971 -124.794 3.92108 -1.98765 -95.3976 -1.98815 -135.848 GPRESSURE: 1670600 -7.70664 -46.6222 -93.6779 -180.222 78.1819 88.5788 -239.153 -15.1813 -67.0169 PRESSAVG: 1670600 -10.8392 36.4761 16.9082 36.476 -37.376 39.0113 16.9081 39.0115 60.7674 GPRESSAVG: 1670600 -9.98299 34.6744 17.5666 37.1023 -37.6189 39.6034 17.7602 37.3541 60.8298 TIMING: 1670600 CPU: 4970.43, 0.00296405/step Wall: 4970.43, 0.00296405/step, 2.74125 hours remaining, 207.097656 MB of memory in use. ENERGY: 1670600 759.2627 2104.3540 1924.7742 105.4371 -206302.8100 17880.6566 0.0000 0.0000 34245.1610 -149283.1645 299.0715 -183528.3255 -149185.5659 298.8582 -34.9901 1.1528 556739.7634 4.1841 4.4093 PRESSURE: 1670800 -109.762 26.1548 -70.5229 26.1542 -6.21986 108.62 -70.5217 108.619 -347.91 GPRESSURE: 1670800 -93.8915 21.3377 -138.851 20.0489 21.8261 168.326 -74.9152 118.624 -295.303 PRESSAVG: 1670800 1.52592 40.4642 16.2823 40.4642 24.3358 -5.49491 16.2823 -5.4949 23.503 GPRESSAVG: 1670800 1.60588 41.0951 14.9718 39.7801 24.3981 -5.08002 16.828 -2.94193 23.2555 TIMING: 1670800 CPU: 4971.02, 0.00296634/step Wall: 4971.02, 0.00296634/step, 2.74321 hours remaining, 207.097656 MB of memory in use. ENERGY: 1670800 724.2950 2115.3544 1931.9543 121.1611 -205720.2502 17502.1380 0.0000 0.0000 34199.6999 -149125.6475 298.6745 -183325.3475 -149034.0344 299.4853 -154.6309 -122.4562 559352.8472 16.4549 16.4198 PRESSURE: 1671000 41.6948 -34.5313 -142.917 -34.5321 113.719 -173.82 -142.916 -173.818 32.123 GPRESSURE: 1671000 86.3233 -57.5255 -94.5762 -79.6405 189.946 -119.04 -57.1586 -134.971 12.9559 PRESSAVG: 1671000 32.5452 -14.0961 -14.3232 -14.096 -41.9227 33.906 -14.3232 33.9061 32.6538 GPRESSAVG: 1671000 32.8361 -12.2471 -11.9633 -14.2809 -41.2911 33.0961 -15.8307 33.1662 31.6643 TIMING: 1671000 CPU: 4971.62, 0.00297971/step Wall: 4971.62, 0.00297971/step, 2.7554 hours remaining, 207.097656 MB of memory in use. ENERGY: 1671000 737.5355 2047.8319 1964.8110 113.2699 -206102.1906 17813.0210 0.0000 0.0000 34404.6311 -149021.0902 300.4642 -183425.7213 -148933.2298 300.1340 62.5122 96.4085 556915.9704 7.7588 7.7364 PRESSURE: 1671200 -13.6347 25.1549 122.062 25.154 -225.519 37.6484 122.062 37.6482 -103.592 GPRESSURE: 1671200 -5.4129 -10.2101 75.6272 55.7556 -177.32 61.7213 128.063 -90.8226 -65.9518 PRESSAVG: 1671200 4.19788 -23.2936 -19.2946 -23.2935 -43.4155 -29.1211 -19.2946 -29.1212 -12.4784 GPRESSAVG: 1671200 3.41994 -25.739 -20.3012 -21.8817 -42.4657 -31.0028 -19.2465 -29.812 -12.9392 TIMING: 1671200 CPU: 4972.21, 0.00295701/step Wall: 4972.21, 0.00295701/step, 2.73425 hours remaining, 207.097656 MB of memory in use. ENERGY: 1671200 787.0984 2175.2515 1931.8332 123.8868 -205983.6442 17631.3530 0.0000 0.0000 34309.0673 -149025.1540 299.6296 -183334.2213 -148930.5619 299.8692 -114.2484 -82.8950 557564.7415 -17.2320 -17.3283 PRESSURE: 1671400 -135.584 58.495 -24.886 58.4938 154.507 -56.8559 -24.8866 -56.8553 97.4033 GPRESSURE: 1671400 -91.7276 -23.0992 6.94691 140.633 158.413 -27.2678 -12.9599 -67.2462 151.367 PRESSAVG: 1671400 -28.1677 -32.0492 -29.7193 -32.0493 13.0136 -0.54743 -29.7193 -0.547328 -4.18644 GPRESSAVG: 1671400 -27.328 -31.2417 -29.4221 -30.5522 11.6054 1.51178 -28.6292 -0.649208 -3.43686 TIMING: 1671400 CPU: 4972.81, 0.00297808/step Wall: 4972.81, 0.00297808/step, 2.75356 hours remaining, 207.097656 MB of memory in use. ENERGY: 1671400 765.8725 2134.1794 1961.1767 113.4090 -205997.4138 17866.6394 0.0000 0.0000 34266.9371 -148889.1998 299.2617 -183156.1369 -148791.0376 299.6840 38.7756 72.6842 558205.7056 -6.4469 -6.3865 PRESSURE: 1671600 49.0417 -12.5429 35.7745 -12.5432 246.848 27.5989 35.7743 27.5979 121.48 GPRESSURE: 1671600 114.653 0.384574 38.9553 50.9674 185.676 -0.208388 67.7451 72.8559 220.326 PRESSAVG: 1671600 28.4221 -31.4387 28.9239 -31.4387 -67.1635 37.8677 28.9239 37.8677 52.8828 GPRESSAVG: 1671600 26.398 -31.0789 30.5228 -32.8189 -66.0541 37.6416 26.5715 36.7929 53.1725 TIMING: 1671600 CPU: 4973.4, 0.00298136/step Wall: 4973.4, 0.00298136/step, 2.75643 hours remaining, 207.097656 MB of memory in use. ENERGY: 1671600 767.5849 2137.4409 1963.1955 111.6405 -206072.7612 17941.4913 0.0000 0.0000 34287.4921 -148863.9159 299.4412 -183151.4080 -148780.2306 299.7483 139.1234 173.5515 558247.1848 4.7138 4.5055 PRESSURE: 1671800 400.034 -33.7759 67.8754 -33.7754 212.733 -156.597 67.8754 -156.596 263.429 GPRESSURE: 1671800 481.172 -40.4395 61.9925 -23.8316 271.149 -136.53 68.1431 -216.459 219.918 PRESSAVG: 1671800 -27.9916 -0.755892 23.4461 -0.755893 14.6927 -55.8932 23.4461 -55.8932 2.5752 GPRESSAVG: 1671800 -27.7876 0.442907 22.4338 -1.53483 13.5631 -54.8097 25.2755 -52.8226 3.95412 TIMING: 1671800 CPU: 4974, 0.0029916/step Wall: 4974, 0.0029916/step, 2.76573 hours remaining, 207.097656 MB of memory in use. ENERGY: 1671800 715.6434 2134.7436 1945.3383 122.4021 -206531.2058 18231.2069 0.0000 0.0000 34600.8718 -148780.9997 302.1780 -183381.8715 -148683.8974 300.3907 292.0650 324.0796 558397.7589 -3.5746 -3.4235 PRESSURE: 1672000 -236.157 120.867 100.402 120.868 -175.298 -54.1341 100.403 -54.1337 -90.6527 GPRESSURE: 1672000 -257.998 150.61 121.402 78.8314 -72.1487 -134.278 166.581 -10.7192 -84.0749 PRESSAVG: 1672000 -21.8656 25.1369 -6.06439 25.1369 21.831 2.0344 -6.06442 2.03432 13.4026 GPRESSAVG: 1672000 -21.7592 23.7596 -6.07667 26.6298 23.4203 0.531606 -6.02723 0.729809 12.1697 TIMING: 1672000 CPU: 4974.6, 0.00298457/step Wall: 4974.6, 0.00298457/step, 2.75907 hours remaining, 207.097656 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: 1672000 718.3743 2023.9466 1949.3788 112.8535 -205718.0894 17570.5166 0.0000 0.0000 34351.6302 -148991.3894 300.0013 -183343.0196 -148890.1400 300.0802 -167.3690 -138.0740 559760.0020 4.4560 4.6103 PRESSURE: 1672200 -262.415 -130.675 3.85469 -130.675 86.399 -36.1549 3.85468 -36.1544 57.5252 GPRESSURE: 1672200 -254.473 -135.858 43.7933 -169.397 121.697 -30.2791 -106.513 -76.376 114.929 PRESSAVG: 1672200 -36.4589 -32.3584 -33.2623 -32.3584 38.8435 2.31968 -33.2622 2.31967 27.1946 GPRESSAVG: 1672200 -36.5957 -33.6032 -33.5698 -32.6422 38.8472 0.799529 -31.9892 3.9822 27.328 TIMING: 1672200 CPU: 4975.19, 0.0029784/step Wall: 4975.19, 0.0029784/step, 2.7532 hours remaining, 207.097656 MB of memory in use. ENERGY: 1672200 770.5986 2033.7715 1918.3976 109.5324 -205570.5994 17625.6419 0.0000 0.0000 34182.5855 -148930.0719 298.5250 -183112.6574 -148834.2912 299.8010 -39.4969 -5.9492 558853.5076 9.8597 9.8598 LDB: ============= START OF LOAD BALANCING ============== 4978.62 LDB: ============== END OF LOAD BALANCING =============== 4978.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4978.62 LDB: ============= START OF LOAD BALANCING ============== 4978.92 LDB: Largest compute 4821 load 0.030469 is 25.8% of average load 0.118150 LDB: Average compute 0.001715 is 1.5% of average load 0.118150 LDB: TIME 4978.92 LOAD: AVG 0.11815 MAX 0.200158 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 4978.92 LOAD: AVG 0.11815 MAX 0.200158 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.129 MB LDB: TIME 4978.92 LOAD: AVG 0.11815 MAX 0.200158 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.129 MB LDB: ============== END OF LOAD BALANCING =============== 4978.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4978.92 PRESSURE: 1672400 -165.517 32.8794 -3.3777 32.8806 116.318 -90.9346 -3.37796 -90.9357 8.4348 GPRESSURE: 1672400 -75.0067 18.2434 -53.7949 28.5665 103.02 -113.879 87.7961 -85.6796 25.8162 PRESSAVG: 1672400 -17.7198 -51.2588 -48.4679 -51.2588 -28.6996 -33.9 -48.4678 -33.8999 -3.38034 GPRESSAVG: 1672400 -16.1415 -50.2652 -49.1518 -51.6878 -29.8193 -33.2419 -48.8325 -35.4024 -2.83375 TIMING: 1672400 CPU: 4975.79, 0.00301155/step Wall: 4975.79, 0.00301155/step, 2.78368 hours remaining, 206.710938 MB of memory in use. ENERGY: 1672400 700.4737 2019.2323 1962.1626 112.3675 -205462.3772 17567.1428 0.0000 0.0000 34247.4426 -148853.5557 299.0914 -183100.9983 -148746.1221 299.2970 -13.5880 17.9430 559336.9530 -16.5999 -16.2649 PRESSURE: 1672600 -35.9886 209.485 121.676 209.487 188.982 81.9818 121.676 81.9839 120.904 GPRESSURE: 1672600 8.40834 172.2 140.184 213.869 268.469 101.314 79.671 108.114 88.2029 PRESSAVG: 1672600 -50.1162 -0.598323 17.4759 -0.59841 20.2707 -7.63175 17.4759 -7.6316 63.1354 GPRESSAVG: 1672600 -51.2086 -1.33952 19.7319 -2.25864 21.7051 -8.29063 16.1465 -7.21227 63.1814 TIMING: 1672600 CPU: 4976.39, 0.00295137/step Wall: 4976.39, 0.00295137/step, 2.72788 hours remaining, 206.914062 MB of memory in use. ENERGY: 1672600 730.0106 2055.4874 1928.5755 109.7027 -205857.3241 17729.4655 0.0000 0.0000 34249.5990 -149054.4835 299.1103 -183304.0825 -148965.1485 299.7064 91.2992 121.6935 557704.6734 11.0966 11.2260 PRESSURE: 1672800 -92.0829 -22.4388 141.421 -22.4392 -36.7519 -115.778 141.421 -115.779 4.88294 GPRESSURE: 1672800 -85.1037 16.1288 101.383 -75.7537 -31.5016 -109.05 193.542 -65.8761 83.0857 PRESSAVG: 1672800 -41.3888 43.9477 45.7891 43.9476 10.6847 -26.3508 45.7892 -26.351 21.723 GPRESSAVG: 1672800 -41.2578 46.1826 43.2301 43.557 8.95996 -24.8884 46.9483 -26.9031 23.0738 TIMING: 1672800 CPU: 4976.98, 0.00297475/step Wall: 4976.98, 0.00297475/step, 2.74933 hours remaining, 206.914062 MB of memory in use. ENERGY: 1672800 740.5225 2116.3244 1957.9705 109.5955 -206134.7783 17721.2040 0.0000 0.0000 34421.6425 -149067.5188 300.6128 -183489.1614 -148972.9138 299.1591 -41.3173 -11.1732 558064.7552 -2.9937 -3.0747 PRESSURE: 1673000 34.4909 29.2379 98.0595 29.238 -126.557 2.77723 98.0595 2.77713 -146.197 GPRESSURE: 1673000 85.6549 64.442 121.162 19.6203 -86.7724 57.4996 93.0351 -67.0554 -144.709 PRESSAVG: 1673000 -50.7257 2.84656 63.986 2.84657 -0.913917 19.6858 63.9859 19.6858 32.2219 GPRESSAVG: 1673000 -50.1125 -0.0486189 65.0795 3.41498 0.166156 20.9559 65.2095 19.5146 30.5566 TIMING: 1673000 CPU: 4977.57, 0.00296158/step Wall: 4977.57, 0.00296158/step, 2.73699 hours remaining, 206.914062 MB of memory in use. ENERGY: 1673000 730.5047 2067.8124 1957.6879 114.1884 -205734.0182 17598.8026 0.0000 0.0000 34301.0075 -148964.0148 299.5592 -183265.0223 -148865.5615 299.5697 -79.4212 -48.6089 559276.2817 -6.4726 -6.4632 PRESSURE: 1673200 -279.613 25.5645 -238.385 25.5644 -124.683 31.9185 -238.385 31.9193 -124.99 GPRESSURE: 1673200 -238.486 160.223 -260.024 -13.6869 -102.124 -8.39289 -253.996 95.9048 -75.7352 PRESSAVG: 1673200 -53.2319 12.4788 -9.17435 12.4788 13.5521 24.4026 -9.17436 24.4026 22.6944 GPRESSAVG: 1673200 -53.5245 13.1177 -9.53644 14.1457 14.7575 22.1035 -12.3067 26.5664 22.1453 TIMING: 1673200 CPU: 4978.17, 0.00296327/step Wall: 4978.17, 0.00296327/step, 2.73839 hours remaining, 206.914062 MB of memory in use. ENERGY: 1673200 744.1447 2064.2839 1945.0503 101.5106 -205619.1596 17524.8958 0.0000 0.0000 34178.6681 -149060.6061 298.4908 -183239.2743 -148955.1987 299.3735 -176.4286 -138.7817 560415.9186 -5.6618 -5.5406 PRESSURE: 1673400 175.474 -93.0799 -60.8153 -93.0803 190.027 -1.08604 -60.8155 -1.08756 -121.736 GPRESSURE: 1673400 177.797 -40.6758 -64.0159 -279.358 241.137 21.9584 -167.764 -92.1741 -82.1408 PRESSAVG: 1673400 50.0574 -39.1344 -6.46169 -39.1344 -10.957 11.6673 -6.46171 11.6673 -31.1658 GPRESSAVG: 1673400 50.4365 -38.7698 -6.6955 -39.8053 -13.0823 14.0248 -5.85284 9.13098 -30.3671 TIMING: 1673400 CPU: 4978.76, 0.00297288/step Wall: 4978.76, 0.00297288/step, 2.7471 hours remaining, 206.914062 MB of memory in use. ENERGY: 1673400 771.0827 2071.2589 1937.9742 102.9002 -206140.9765 18207.9845 0.0000 0.0000 34220.8577 -148828.9182 298.8593 -183049.7760 -148732.1411 299.9073 81.2548 112.2644 559862.3661 2.6449 2.3290 PRESSURE: 1673600 -274.751 1.62365 -60.1751 1.62402 110.705 -230.859 -60.1757 -230.858 -142.136 GPRESSURE: 1673600 -267.953 -19.1584 -56.5848 87.2544 157.364 -241.139 -111.793 -179.189 -106.207 PRESSAVG: 1673600 -14.0624 -21.9306 -19.6176 -21.9306 49.0754 -47.1915 -19.6177 -47.1916 -39.8031 GPRESSAVG: 1673600 -14.6924 -21.4005 -18.7746 -22.8952 48.9927 -47.5218 -18.9773 -46.5328 -39.5595 TIMING: 1673600 CPU: 4979.35, 0.00295766/step Wall: 4979.35, 0.00295766/step, 2.73288 hours remaining, 206.914062 MB of memory in use. ENERGY: 1673600 801.2470 2032.6676 1981.2447 109.3126 -206230.2230 17947.8323 0.0000 0.0000 34454.9582 -148902.9607 300.9037 -183357.9189 -148817.7204 300.2126 -102.0604 -72.2653 559620.4067 -1.5967 -1.7530 PRESSURE: 1673800 -47.4515 49.3687 96.3433 49.3691 223.774 -149.015 96.3437 -149.014 113.77 GPRESSURE: 1673800 -26.2734 50.7657 44.0156 137.054 214.563 -90.1158 126.452 -123.063 177.167 PRESSAVG: 1673800 -114.868 17.0821 46.8732 17.0822 81.7164 -15.8501 46.8731 -15.85 46.228 GPRESSAVG: 1673800 -114.278 16.8457 47.6239 18.0236 80.77 -16.1099 46.1318 -16.5048 46.1376 TIMING: 1673800 CPU: 4979.94, 0.00296628/step Wall: 4979.94, 0.00296628/step, 2.74068 hours remaining, 206.914062 MB of memory in use. ENERGY: 1673800 728.8098 2076.8196 1946.9876 115.9239 -206252.1785 18036.4740 0.0000 0.0000 34382.9905 -148964.1730 300.2752 -183347.1635 -148868.1056 300.2022 96.6975 121.8191 557660.4590 4.3587 4.2099 PRESSURE: 1674000 -174.114 -77.7738 -72.9778 -77.7747 119.319 -77.0377 -72.9767 -77.0379 1.34906 GPRESSURE: 1674000 -129.543 -94.0597 -135.467 -38.9865 158.036 -56.444 -13.1458 -74.8612 17.6229 PRESSAVG: 1674000 -28.8047 -32.5551 21.769 -32.555 3.2966 6.77066 21.7689 6.77062 42.9826 GPRESSAVG: 1674000 -29.1695 -30.9913 21.2657 -33.1414 4.67258 5.70613 22.6669 7.0229 42.4977 TIMING: 1674000 CPU: 4980.54, 0.00297989/step Wall: 4980.54, 0.00297989/step, 2.75309 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: 1674000 766.5870 2061.3870 1923.7162 109.3923 -205852.7827 17702.7726 0.0000 0.0000 34341.0526 -148947.8749 299.9090 -183288.9276 -148854.5428 300.3975 -17.8154 15.3722 558179.5746 5.8249 6.0003 PRESSURE: 1674200 -21.8048 26.513 94.6108 26.5129 38.199 -90.8134 94.6105 -90.8137 102.018 GPRESSURE: 1674200 -14.4502 97.3241 166.963 -12.9386 118.328 -71.6627 68.5876 -81.605 115.056 PRESSAVG: 1674200 10.447 -4.85732 13.457 -4.85734 -5.64655 0.169005 13.4571 0.169021 0.258722 GPRESSAVG: 1674200 10.2416 -5.58611 13.6339 -4.05801 -5.05818 0.449567 13.0727 0.0899572 -0.275839 TIMING: 1674200 CPU: 4981.14, 0.0029847/step Wall: 4981.14, 0.0029847/step, 2.75737 hours remaining, 206.914062 MB of memory in use. ENERGY: 1674200 706.1175 1996.4204 1926.3936 115.6450 -206404.4960 17952.5977 0.0000 0.0000 34556.5317 -149150.7901 301.7908 -183707.3218 -149056.8235 300.2287 39.4708 72.9781 558240.4892 1.6864 1.6359 PRESSURE: 1674400 40.2961 54.6141 12.5102 54.6148 233.52 -137.746 12.5101 -137.747 -54.0044 GPRESSURE: 1674400 55.6122 16.3114 -48.8949 9.8045 253.259 -157.303 96.7912 -85.2407 16.7188 PRESSAVG: 1674400 22.4244 4.92504 56.8178 4.92499 -26.1055 -8.63482 56.8178 -8.63489 -41.0821 GPRESSAVG: 1674400 22.4126 4.99496 56.3139 4.4437 -26.4697 -7.55388 57.4924 -9.30795 -40.0132 TIMING: 1674400 CPU: 4981.73, 0.00298704/step Wall: 4981.73, 0.00298704/step, 2.75936 hours remaining, 206.914062 MB of memory in use. ENERGY: 1674400 734.3436 2046.3293 1962.3641 110.6519 -206090.6366 17755.0816 0.0000 0.0000 34171.1856 -149310.6805 298.4255 -183481.8661 -149215.7610 299.2030 73.2707 108.5300 556755.0683 -14.9211 -14.6901 PRESSURE: 1674600 -54.9631 -77.0074 78.9872 -77.0074 224.533 10.6412 78.9878 10.6417 106.574 GPRESSURE: 1674600 15.074 -17.815 90.1445 -200.721 218.457 31.6172 62.8997 -34.1672 143.544 PRESSAVG: 1674600 -29.1119 -27.0443 65.4368 -27.0444 15.1797 -40.5025 65.4368 -40.5026 48.523 GPRESSAVG: 1674600 -29.1685 -25.7012 65.1553 -27.5447 14.5184 -41.6251 65.7128 -40.3426 48.8962 TIMING: 1674600 CPU: 4982.33, 0.00297617/step Wall: 4982.33, 0.00297617/step, 2.74916 hours remaining, 206.914062 MB of memory in use. ENERGY: 1674600 738.5124 2112.2964 1936.4022 108.3849 -206197.7166 17965.3787 0.0000 0.0000 34063.0132 -149273.7287 297.4808 -183336.7419 -149188.6626 298.7337 92.0481 125.6915 556608.9716 11.5303 11.4154 PRESSURE: 1674800 -13.6858 -19.8913 -14.517 -19.893 -124.923 64.1894 -14.5173 64.1897 -117.357 GPRESSURE: 1674800 17.8883 -25.6202 -10.4093 -59.7552 -83.9001 53.1381 -95.2635 104.463 -106.48 PRESSAVG: 1674800 -54.3998 -46.9236 11.9483 -46.9237 41.0613 -21.6518 11.9483 -21.6518 39.9771 GPRESSAVG: 1674800 -54.0425 -49.0725 11.8467 -47.7802 40.8711 -19.8978 10.2155 -20.1315 39.3358 TIMING: 1674800 CPU: 4982.93, 0.00299061/step Wall: 4982.93, 0.00299061/step, 2.76232 hours remaining, 206.914062 MB of memory in use. ENERGY: 1674800 744.0896 2099.9654 1914.7076 96.0155 -206039.7913 17732.3267 0.0000 0.0000 34306.7797 -149145.9068 299.6096 -183452.6865 -149047.7437 298.7720 -85.3218 -57.4972 557799.2498 8.8795 8.7215 PRESSURE: 1675000 -25.8552 -116.815 -41.8664 -116.814 -120.172 2.18633 -41.867 2.18596 170.555 GPRESSURE: 1675000 4.55384 -77.96 -14.6196 -110.27 -67.5868 51.7828 -8.51031 -31.4877 195.243 PRESSAVG: 1675000 32.6757 -23.6992 25.6515 -23.6992 -65.0764 -7.31419 25.6514 -7.31413 34.5664 GPRESSAVG: 1675000 32.7011 -23.3351 25.4835 -21.4187 -64.6766 -6.9542 28.2726 -10.8895 33.3952 TIMING: 1675000 CPU: 4983.52, 0.00296126/step Wall: 4983.52, 0.00296126/step, 2.73505 hours remaining, 206.914062 MB of memory in use. ENERGY: 1675000 722.7548 2109.7126 1942.9187 111.9855 -205826.3743 17715.5580 0.0000 0.0000 33902.3993 -149321.0454 296.0781 -183223.4447 -149234.2584 298.6914 8.1759 44.0700 556611.6970 0.7219 0.4732 PRESSURE: 1675200 -145.876 35.157 -15.5235 35.1568 -27.7732 65.738 -15.5228 65.7364 61.3088 GPRESSURE: 1675200 -140.97 26.9216 -21.0155 27.6606 33.5935 62.0122 -18.8767 59.7702 90.8934 PRESSAVG: 1675200 -102.607 3.30657 11.7091 3.30667 47.1144 -41.8878 11.7091 -41.8879 76.0038 GPRESSAVG: 1675200 -103.006 5.19751 13.3797 3.4139 46.6009 -42.2478 9.63445 -40.5229 76.2447 TIMING: 1675200 CPU: 4984.12, 0.00297524/step Wall: 4984.12, 0.00297524/step, 2.7478 hours remaining, 206.914062 MB of memory in use. ENERGY: 1675200 729.3371 2049.8396 1959.5591 100.1216 -206314.5917 17704.3855 0.0000 0.0000 34377.0727 -149394.2763 300.2235 -183771.3489 -149304.8276 298.6372 -37.4469 -5.4944 556070.6173 6.8370 6.6133 PRESSURE: 1675400 -150.402 -6.00009 19.7728 -5.99969 91.5905 -69.9324 19.7725 -69.9342 -200.9 GPRESSURE: 1675400 -95.3277 -35.4354 60.118 -39.8424 49.9765 -9.70564 32.8566 -108.223 -108.818 PRESSAVG: 1675400 -67.4599 55.6221 46.7702 55.622 -15.4257 3.86626 46.7703 3.8662 114.627 GPRESSAVG: 1675400 -67.4599 53.8617 44.615 54.4904 -15.9094 4.87447 48.1257 2.01686 115.082 TIMING: 1675400 CPU: 4984.71, 0.00298587/step Wall: 4984.71, 0.00298587/step, 2.75745 hours remaining, 206.914062 MB of memory in use. ENERGY: 1675400 729.6884 2048.1046 1957.7930 127.7699 -205927.4490 17582.7167 0.0000 0.0000 34037.3747 -149444.0017 297.2569 -183481.3763 -149348.7637 299.0242 -86.5706 -51.3899 558516.4381 10.5804 10.5708 PRESSURE: 1675600 -21.0274 -56.5547 -65.5078 -56.5549 -109.786 -205.81 -65.5069 -205.81 -95.6272 GPRESSURE: 1675600 -2.91571 -47.4285 43.8488 -0.637516 -50.2233 -314.968 -55.6211 -215.247 -73.1387 PRESSAVG: 1675600 -25.9704 6.18973 30.1541 6.18962 55.3821 -14.4638 30.1541 -14.4637 -8.67245 GPRESSAVG: 1675600 -26.7079 8.06791 31.8517 5.89856 57.0078 -15.8639 30.7297 -12.9385 -10.0573 TIMING: 1675600 CPU: 4985.31, 0.00296404/step Wall: 4985.31, 0.00296404/step, 2.73713 hours remaining, 206.914062 MB of memory in use. ENERGY: 1675600 743.0307 2089.7397 1927.8713 113.7358 -206109.8169 17816.7924 0.0000 0.0000 34032.2565 -149386.3905 297.2122 -183418.6470 -149289.3414 298.2682 -75.4801 -42.0926 557389.0973 6.9131 6.7475 PRESSURE: 1675800 197.466 127.599 -126.55 127.6 -173.983 36.3676 -126.549 36.3658 81.309 GPRESSURE: 1675800 188.704 174.112 -105.158 131.639 -112.622 70.9578 -143.728 -52.788 129.149 PRESSAVG: 1675800 -1.57487 1.06114 -12.9496 1.06115 -48.1899 -11.4807 -12.9495 -11.4808 47.2989 GPRESSAVG: 1675800 -0.239013 -1.19428 -13.0415 2.70148 -48.5842 -14.1035 -15.0203 -9.61522 46.5718 TIMING: 1675800 CPU: 4985.91, 0.00300021/step Wall: 4985.91, 0.00300021/step, 2.77036 hours remaining, 206.914062 MB of memory in use. ENERGY: 1675800 748.9762 2109.4566 1953.9598 116.6666 -206101.9348 17794.2978 0.0000 0.0000 34133.7069 -149244.8710 298.0982 -183378.5778 -149154.1830 298.9272 34.9307 68.4101 556978.2959 -0.8219 -0.7504 PRESSURE: 1676000 -233.291 -28.8485 -90.7291 -28.8473 -130.621 -86.8368 -90.7277 -86.8366 -265.07 GPRESSURE: 1676000 -182.388 -64.3798 -139.987 -46.9601 -143.94 -34.6928 23.284 -41.5088 -206.399 PRESSAVG: 1676000 11.237 -6.8264 -10.5068 -6.82645 -25.7467 27.2441 -10.5068 27.2441 -12.3377 GPRESSAVG: 1676000 11.178 -5.6038 -10.4072 -7.72915 -26.2461 30.3262 -9.30227 25.4324 -11.7066 TIMING: 1676000 CPU: 4986.5, 0.00298052/step Wall: 4986.5, 0.00298052/step, 2.75201 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: 1676000 753.2121 2099.3699 1918.2726 111.5418 -206134.4524 17520.2891 0.0000 0.0000 34484.5521 -149247.2148 301.1622 -183731.7669 -149148.7369 299.0026 -209.6607 -177.5757 558110.4060 -8.9491 -8.9249 PRESSURE: 1676200 -157.081 5.16025 61.6793 5.16091 -134.221 244.026 61.6797 244.026 -62.9741 GPRESSURE: 1676200 -140.688 -9.98774 139.205 18.2991 -72.1699 273.883 2.71331 235.773 -40.2729 PRESSAVG: 1676200 -31.883 54.4676 15.009 54.4676 17.9481 0.0505213 15.0091 0.0503991 46.4569 GPRESSAVG: 1676200 -31.8757 53.8912 15.4235 53.7928 16.598 0.364982 13.6393 0.437159 47.2975 TIMING: 1676200 CPU: 4987.09, 0.00296576/step Wall: 4987.09, 0.00296576/step, 2.73822 hours remaining, 206.914062 MB of memory in use. ENERGY: 1676200 733.0171 2068.0191 1927.2770 105.6944 -205834.0345 17620.0643 0.0000 0.0000 34129.2321 -149250.7304 298.0591 -183379.9625 -149151.7119 298.9493 -118.0918 -84.3769 558731.6290 10.8406 10.6733 LDB: ============= START OF LOAD BALANCING ============== 4990.52 LDB: ============== END OF LOAD BALANCING =============== 4990.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4990.53 LDB: ============= START OF LOAD BALANCING ============== 4990.83 LDB: Largest compute 4821 load 0.029158 is 24.7% of average load 0.118046 LDB: Average compute 0.001708 is 1.4% of average load 0.118046 LDB: TIME 4990.83 LOAD: AVG 0.118046 MAX 0.20406 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 4990.83 LOAD: AVG 0.118046 MAX 0.20406 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.613 MB LDB: TIME 4990.83 LOAD: AVG 0.118046 MAX 0.20406 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 4990.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 4990.84 PRESSURE: 1676400 87.2204 -76.6365 135.475 -76.6382 -91.0597 140.216 135.473 140.215 75.9827 GPRESSURE: 1676400 150.569 -78.6222 161.438 -91.0513 -86.1991 151.243 51.2593 96.1275 104.81 PRESSAVG: 1676400 -47.0334 23.3565 22.044 23.3565 15.9652 27.7438 22.0439 27.7439 11.6346 GPRESSAVG: 1676400 -48.4357 24.6042 21.2267 24.0785 18.3006 26.311 23.246 27.2304 10.9988 TIMING: 1676400 CPU: 4987.71, 0.00306664/step Wall: 4987.71, 0.00306664/step, 2.83119 hours remaining, 207.281250 MB of memory in use. ENERGY: 1676400 762.6192 2104.2702 1943.0224 115.7157 -206342.4772 17871.8841 0.0000 0.0000 34272.3123 -149272.6534 299.3086 -183544.9656 -149175.4173 298.9773 24.0478 56.3933 557486.3698 -6.4779 -6.3787 PRESSURE: 1676600 -36.1343 158.642 45.9586 158.641 -183.859 27.4764 45.9569 27.4748 30.2476 GPRESSURE: 1676600 24.5859 198.977 -7.45006 154.313 -152.972 59.1696 119.789 -37.7579 37.3437 PRESSAVG: 1676600 9.44798 -7.38319 11.2415 -7.38316 -37.7186 11.1526 11.2415 11.1526 30.4991 GPRESSAVG: 1676600 11.4965 -9.97277 8.41726 -6.70178 -39.2369 9.7075 11.8001 11.7015 29.4502 TIMING: 1676600 CPU: 4988.3, 0.00296968/step Wall: 4988.3, 0.00296968/step, 2.74151 hours remaining, 207.480469 MB of memory in use. ENERGY: 1676600 765.0794 2050.8228 1917.4269 115.3283 -206260.6716 17884.4232 0.0000 0.0000 34082.6550 -149444.9359 297.6523 -183527.5910 -149343.3948 298.7326 -63.2486 -30.3473 559052.5072 0.7428 0.5699 PRESSURE: 1676800 -113.621 -66.2833 -22.579 -66.2844 -5.91639 0.347841 -22.5782 0.347664 8.25432 GPRESSURE: 1676800 -98.6671 54.8874 -42.9537 -83.7652 38.7669 30.7707 -45.5263 3.03518 35.6813 PRESSAVG: 1676800 -33.2259 33.4994 -7.54842 33.4993 16.4848 -68.4758 -7.5484 -68.4758 15.8533 GPRESSAVG: 1676800 -34.3051 35.2186 -5.93055 34.0978 16.4732 -67.4614 -8.70305 -69.1095 17.3149 TIMING: 1676800 CPU: 4988.9, 0.00297541/step Wall: 4988.9, 0.00297541/step, 2.74664 hours remaining, 207.480469 MB of memory in use. ENERGY: 1676800 730.8881 2129.3247 1944.7045 102.1378 -206110.8642 17769.6423 0.0000 0.0000 34048.3130 -149385.8538 297.3524 -183434.1668 -149294.1390 297.8909 -37.0943 -8.0730 558860.2233 -0.2960 -0.1723 PRESSURE: 1677000 -42.076 112.353 97.6729 112.354 -99.7713 -28.2903 97.6732 -28.2906 -208.745 GPRESSURE: 1677000 -6.91102 116.018 177.969 48.1067 -31.9874 -17.7732 112.535 -25.7583 -213.703 PRESSAVG: 1677000 -14.2328 8.5652 52.7287 8.56529 -16.6445 24.9021 52.7287 24.9022 22.6876 GPRESSAVG: 1677000 -13.5787 8.20529 53.3351 7.42594 -16.286 25.5273 54.3926 25.4268 21.7545 TIMING: 1677000 CPU: 4989.49, 0.00297165/step Wall: 4989.49, 0.00297165/step, 2.743 hours remaining, 207.480469 MB of memory in use. ENERGY: 1677000 782.7257 2077.7213 1923.0768 121.9675 -205885.9235 17831.9786 0.0000 0.0000 33902.9791 -149245.4746 296.0831 -183148.4537 -149152.6779 298.0538 -116.8640 -84.2003 559073.1721 -2.7299 -2.7034 PRESSURE: 1677200 -42.4293 180.872 29.8283 180.872 101.777 23.4493 29.8277 23.4494 -77.6037 GPRESSURE: 1677200 3.38237 150.594 -4.21191 250.503 92.2863 -31.1879 7.54278 10.7414 -4.95862 PRESSAVG: 1677200 -0.0894436 -12.1127 41.5389 -12.1126 10.3227 36.7215 41.5389 36.7215 0.960821 GPRESSAVG: 1677200 -0.344269 -12.9204 40.6345 -12.1384 9.24082 36.9495 40.875 34.0562 2.36692 TIMING: 1677200 CPU: 4990.08, 0.00295976/step Wall: 4990.08, 0.00295976/step, 2.73186 hours remaining, 207.480469 MB of memory in use. ENERGY: 1677200 736.7928 2076.7737 1947.1837 112.7232 -206133.6291 17824.3634 0.0000 0.0000 34213.5324 -149222.2599 298.7953 -183435.7923 -149128.5702 298.8038 -6.0853 30.2367 558960.8856 3.7313 3.7545 PRESSURE: 1677400 30.2763 75.4542 3.89448 75.4543 56.223 68.4548 3.89488 68.4563 -79.8551 GPRESSURE: 1677400 54.7225 58.4981 49.2657 78.5513 108.226 169.639 -118.166 50.5611 -69.328 PRESSAVG: 1677400 -52.5656 9.23664 44.1777 9.2367 43.9861 -9.96057 44.1776 -9.96048 8.52311 GPRESSAVG: 1677400 -52.5598 9.60445 45.9791 12.1222 45.1206 -11.4092 43.5992 -7.89424 7.21408 TIMING: 1677400 CPU: 4990.68, 0.00296008/step Wall: 4990.68, 0.00296008/step, 2.73199 hours remaining, 207.480469 MB of memory in use. ENERGY: 1677400 741.0183 2062.9324 1948.9085 106.9986 -206433.9754 17928.0004 0.0000 0.0000 34113.6929 -149532.4243 297.9234 -183646.1172 -149432.6367 298.3761 2.2148 31.2069 556500.0075 -0.0188 -0.0750 PRESSURE: 1677600 -202.436 -19.0977 -73.3612 -19.098 -194.915 -108.061 -73.3618 -108.062 -155.56 GPRESSURE: 1677600 -183.067 8.64469 -146.152 -45.5954 -118.328 -76.8773 -19.9829 -153.708 -152.696 PRESSAVG: 1677600 18.1279 14.6032 12.2985 14.6031 -27.0983 40.6916 12.2985 40.6915 33.043 GPRESSAVG: 1677600 16.6205 14.106 11.6983 14.2517 -26.5577 42.0892 12.1209 39.5416 33.846 TIMING: 1677600 CPU: 4991.27, 0.00297181/step Wall: 4991.27, 0.00297181/step, 2.74265 hours remaining, 207.480469 MB of memory in use. ENERGY: 1677600 766.9342 2066.4777 1951.1182 105.5829 -206022.0071 17601.1919 0.0000 0.0000 34123.1039 -149407.5982 298.0056 -183530.7022 -149302.1441 298.4628 -184.3039 -151.3637 557423.9710 8.0242 7.9696 PRESSURE: 1677800 -111.317 147.456 106.479 147.456 -62.994 50.5102 106.48 50.5114 -325.63 GPRESSURE: 1677800 -48.1908 232.706 134.354 84.3695 -75.6317 27.2193 113.599 15.6554 -270.599 PRESSAVG: 1677800 -11.1365 12.5028 15.596 12.5027 -28.0457 -19.0537 15.596 -19.0536 -13.5788 GPRESSAVG: 1677800 -8.5734 13.6226 15.1858 10.9343 -30.5199 -20.1783 14.4399 -18.5048 -13.4069 TIMING: 1677800 CPU: 4991.86, 0.00296758/step Wall: 4991.86, 0.00296758/step, 2.73859 hours remaining, 207.480469 MB of memory in use. ENERGY: 1677800 766.2056 2103.2502 1957.9677 112.8052 -205926.0180 17417.5070 0.0000 0.0000 34307.1182 -149261.1641 299.6126 -183568.2823 -149157.3514 299.4177 -166.6470 -131.4737 556575.1696 -17.5870 -17.5001 PRESSURE: 1678000 108.939 -17.9664 58.7308 -17.9666 235.832 -82.7703 58.7297 -82.7676 275.867 GPRESSURE: 1678000 76.3735 -13.5284 115.406 -14.0566 281.114 -76.9566 4.80594 -114.266 365.164 PRESSAVG: 1678000 60.8608 55.231 -5.40118 55.231 36.5013 -63.1338 -5.4012 -63.1338 -30.8018 GPRESSAVG: 1678000 58.7095 55.4172 -4.47879 54.5701 37.7085 -61.0226 -6.066 -64.8002 -29.5368 TIMING: 1678000 CPU: 4992.46, 0.00296597/step Wall: 4992.46, 0.00296597/step, 2.73693 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: 1678000 706.3098 2107.4507 1954.2981 115.4130 -206206.7493 17887.7865 0.0000 0.0000 34285.1439 -149150.3474 299.4207 -183435.4913 -149050.2260 299.7335 206.8791 240.8839 555352.2148 22.1868 22.2938 PRESSURE: 1678200 -27.9916 69.5353 141.385 69.5361 -97.3338 29.5279 141.385 29.5297 -93.3624 GPRESSURE: 1678200 54.2865 77.6042 152.56 -11.3766 -127.007 -22.2956 87.6406 51.7614 -42.1419 PRESSAVG: 1678200 11.1016 -23.7546 24.5686 -23.7545 2.02012 -72.5314 24.5684 -72.5314 -27.422 GPRESSAVG: 1678200 12.0045 -25.3747 23.7094 -22.6989 1.15881 -75.1257 25.6616 -69.6647 -27.6717 TIMING: 1678200 CPU: 4993.05, 0.00297159/step Wall: 4993.05, 0.00297159/step, 2.74195 hours remaining, 207.480469 MB of memory in use. ENERGY: 1678200 744.8960 2169.4190 1946.0471 120.0606 -205924.4109 17581.0304 0.0000 0.0000 34431.5274 -148931.4304 300.6991 -183362.9578 -148845.6462 299.8404 -72.8959 -38.2873 556276.2105 -4.7668 -4.8361 PRESSURE: 1678400 -117.638 13.3324 -42.3684 13.3339 148.033 -119.253 -42.3678 -119.254 283.753 GPRESSURE: 1678400 -108.763 51.9431 -29.5321 16.9724 221.828 -96.9798 -74.2905 -87.479 288.197 PRESSAVG: 1678400 -23.6022 -24.1168 38.8977 -24.1169 19.794 50.8063 38.8977 50.8065 33.3889 GPRESSAVG: 1678400 -23.4859 -22.3633 38.5298 -26.3194 20.1206 53.0086 37.0845 48.612 32.8753 TIMING: 1678400 CPU: 4993.65, 0.00298965/step Wall: 4993.65, 0.00298965/step, 2.75845 hours remaining, 207.480469 MB of memory in use. ENERGY: 1678400 754.6499 2110.0960 1967.2118 93.4627 -206026.6515 17912.1684 0.0000 0.0000 34469.3455 -148719.7172 301.0294 -183189.0627 -148623.8486 300.4678 104.7162 133.7537 556622.9638 9.8602 9.8367 PRESSURE: 1678600 231 135.15 -57.2683 135.15 140.204 76.2518 -57.2678 76.2524 85.0501 GPRESSURE: 1678600 212.953 166.87 -48.0247 67.0553 200.377 11.0097 -58.2912 140.431 131.204 PRESSAVG: 1678600 -48.2258 6.83122 62.9128 6.83118 8.55369 -0.938546 62.9128 -0.938482 16.9773 GPRESSAVG: 1678600 -48.6558 5.68206 62.1164 8.11765 9.02525 -2.9903 65.3679 -0.831664 17.0106 TIMING: 1678600 CPU: 4994.25, 0.00298844/step Wall: 4994.25, 0.00298844/step, 2.75717 hours remaining, 207.480469 MB of memory in use. ENERGY: 1678600 752.0242 2133.8719 1971.6151 117.1750 -205918.7699 17841.4656 0.0000 0.0000 34279.4127 -148823.2054 299.3706 -183102.6181 -148719.7625 300.6929 152.0849 181.5115 557724.1602 -7.5650 -7.5400 PRESSURE: 1678800 -162.522 -1.86772 73.3937 -1.86787 224.716 65.0688 73.3925 65.0678 -53.2502 GPRESSURE: 1678800 -175.4 -54.0967 78.7558 -14.2857 244.176 26.4783 43.6083 105.015 29.8787 PRESSAVG: 1678800 64.8513 7.50255 7.28389 7.50252 -44.6819 -10.028 7.28388 -10.0279 -43.3618 GPRESSAVG: 1678800 64.4584 7.26542 8.71351 8.30933 -44.1617 -8.84686 7.49734 -10.8982 -42.5381 TIMING: 1678800 CPU: 4994.84, 0.00299088/step Wall: 4994.84, 0.00299088/step, 2.75925 hours remaining, 207.480469 MB of memory in use. ENERGY: 1678800 732.7060 2097.8627 1932.4902 106.6234 -205565.9275 17637.5722 0.0000 0.0000 34406.0488 -148652.6242 300.4766 -183058.6731 -148554.4903 300.3484 2.9813 32.8849 558030.3992 -7.7308 -7.4138 PRESSURE: 1679000 226.476 5.64597 11.7404 5.64557 380.316 31.7616 11.7402 31.7609 -186.869 GPRESSURE: 1679000 193.497 19.1607 21.6595 -11.7433 410.394 19.8227 -34.1068 37.1164 -98.8249 PRESSAVG: 1679000 58.4091 -36.8787 -36.2152 -36.8787 -39.1976 -17.3774 -36.2152 -17.3776 -35.311 GPRESSAVG: 1679000 58.4299 -38.453 -37.0965 -37.5089 -39.3961 -18.634 -35.8547 -15.6026 -35.5497 TIMING: 1679000 CPU: 4995.45, 0.00300821/step Wall: 4995.45, 0.00300821/step, 2.77507 hours remaining, 207.480469 MB of memory in use. ENERGY: 1679000 744.1919 2073.1112 1961.3174 115.0001 -205897.1219 17873.8935 0.0000 0.0000 34378.4399 -148751.1679 300.2355 -183129.6078 -148652.2050 300.7923 139.9742 168.3553 558360.5971 -5.3665 -5.5053 PRESSURE: 1679200 64.3728 27.585 -36.4531 27.5852 92.59 84.7431 -36.4536 84.7428 63.0024 GPRESSURE: 1679200 146.264 53.3553 -6.26266 -41.0665 145.516 136.178 -30.0342 61.132 35.6454 PRESSAVG: 1679200 23.3171 -30.5297 -18.2591 -30.5297 10.017 -12.0291 -18.2591 -12.0291 -29.4651 GPRESSAVG: 1679200 23.942 -27.5287 -16.7319 -31.8555 10.1101 -11.3371 -19.0897 -12.9714 -30.7595 TIMING: 1679200 CPU: 4996.04, 0.00297862/step Wall: 4996.04, 0.00297862/step, 2.74761 hours remaining, 207.480469 MB of memory in use. ENERGY: 1679200 745.2293 2126.6250 1964.1242 118.1540 -205876.5232 17652.2858 0.0000 0.0000 34345.2223 -148924.8826 299.9454 -183270.1049 -148833.2973 299.8772 73.3217 109.1416 557911.6061 1.2896 1.0976 PRESSURE: 1679400 37.6152 -125.944 -105.573 -125.944 -82.2423 15.3795 -105.574 15.3785 -162.88 GPRESSURE: 1679400 65.259 -46.9548 -144.586 -209.909 -66.0447 103.041 -22.8877 -74.0898 -117.235 PRESSAVG: 1679400 14.4818 -6.12954 10.9105 -6.12962 -22.6305 -16.0041 10.9105 -16.0041 -1.01967 GPRESSAVG: 1679400 14.8056 -7.59711 11.4224 -6.20518 -22.8623 -15.8284 10.4284 -14.7303 -1.1465 TIMING: 1679400 CPU: 4996.64, 0.0029737/step Wall: 4996.64, 0.0029737/step, 2.74291 hours remaining, 207.480469 MB of memory in use. ENERGY: 1679400 753.2670 2152.2215 1942.8096 104.8599 -205827.8191 17631.1274 0.0000 0.0000 34287.0368 -148956.4968 299.4372 -183243.5336 -148861.4594 300.0495 -69.1690 -39.3402 556753.2552 -3.0561 -3.0677 PRESSURE: 1679600 -69.9815 -70.5484 -91.2775 -70.5488 14.0052 97.2352 -91.2773 97.236 -326.877 GPRESSURE: 1679600 30.8821 1.88173 -77.8432 -53.6624 -52.0438 40.3891 -106.876 80.2737 -268.051 PRESSAVG: 1679600 73.0467 -46.7014 31.3097 -46.7015 15.8433 -38.2763 31.3098 -38.2763 -32.9716 GPRESSAVG: 1679600 72.8889 -46.6762 30.1414 -46.7861 14.9247 -38.9948 32.7159 -38.9484 -32.0247 TIMING: 1679600 CPU: 4997.23, 0.00295108/step Wall: 4997.23, 0.00295108/step, 2.72188 hours remaining, 207.480469 MB of memory in use. ENERGY: 1679600 770.9736 2130.0877 1924.9385 121.5226 -206011.6309 17564.6980 0.0000 0.0000 34369.3878 -149130.0227 300.1564 -183499.4105 -149040.2470 299.6555 -127.6179 -96.4043 557943.1308 18.6395 18.5963 PRESSURE: 1679800 -72.3252 -87.1021 13.6448 -87.1025 -3.75607 9.53249 13.6442 9.53205 -182.647 GPRESSURE: 1679800 -18.8923 -37.4282 -102.298 -53.988 57.0526 -27.0157 73.142 73.2805 -201.137 PRESSAVG: 1679800 -19.736 21.2659 1.43413 21.2659 -11.2969 -63.1706 1.43413 -63.1706 4.47231 GPRESSAVG: 1679800 -20.2345 22.7396 1.77514 20.4465 -9.6302 -63.6463 0.836486 -63.2036 3.35175 TIMING: 1679800 CPU: 4997.82, 0.0029627/step Wall: 4997.82, 0.0029627/step, 2.73244 hours remaining, 207.480469 MB of memory in use. ENERGY: 1679800 759.1358 2123.6908 1938.0285 105.6672 -205901.2971 17548.2413 0.0000 0.0000 34336.7637 -149089.7697 299.8715 -183426.5334 -149002.3759 299.5441 -86.2427 -54.3257 557613.4492 -8.8535 -8.8377 PRESSURE: 1680000 -56.0548 112.549 114.131 112.55 -110.814 19.9417 114.132 19.9418 -158.128 GPRESSURE: 1680000 28.312 34.7955 -37.7407 147.729 -140.95 -23.2512 153.736 40.7751 -119.206 PRESSAVG: 1680000 43.6954 20.6378 41.3622 20.6378 -52.1231 -19.141 41.3622 -19.1411 15.0107 GPRESSAVG: 1680000 44.6154 18.9549 40.8672 21.6807 -54.3775 -17.9023 42.0277 -19.6798 16.2137 TIMING: 1680000 CPU: 4998.41, 0.00296496/step Wall: 4998.41, 0.00296496/step, 2.73435 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: 1680000 769.9986 2103.4489 1960.7598 123.0541 -206135.4209 17674.5503 0.0000 0.0000 34322.9412 -149180.6680 299.7508 -183503.6092 -149080.5665 299.7131 -108.3322 -77.2813 557314.9289 2.1943 2.1505 PRESSURE: 1680200 -55.0044 7.89871 -233.314 7.89962 -31.8954 134.088 -233.313 134.087 -140.49 GPRESSURE: 1680200 6.90559 -20.775 -127.181 5.00862 -31.6089 134.425 -218.375 26.2868 -112.004 PRESSAVG: 1680200 38.2854 -15.1228 -35.9974 -15.1228 -57.966 17.7079 -35.9974 17.708 -19.3363 GPRESSAVG: 1680200 36.5286 -16.4421 -35.9878 -14.036 -55.463 16.5098 -36.0138 18.7649 -20.5354 TIMING: 1680200 CPU: 4999.01, 0.00299096/step Wall: 4999.01, 0.00299096/step, 2.75817 hours remaining, 207.480469 MB of memory in use. ENERGY: 1680200 757.4932 2118.6148 1966.4620 125.6617 -205988.5851 17705.9350 0.0000 0.0000 34103.7021 -149210.7163 297.8361 -183314.4184 -149118.1639 299.4323 -75.7967 -45.5690 558331.0784 -13.0056 -13.1566 LDB: ============= START OF LOAD BALANCING ============== 5002.44 LDB: ============== END OF LOAD BALANCING =============== 5002.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5002.44 LDB: ============= START OF LOAD BALANCING ============== 5002.75 LDB: Largest compute 4821 load 0.027592 is 23.4% of average load 0.118065 LDB: Average compute 0.001703 is 1.4% of average load 0.118065 LDB: TIME 5002.75 LOAD: AVG 0.118065 MAX 0.201513 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.32 MB LDB: TIME 5002.75 LOAD: AVG 0.118065 MAX 0.201513 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.32 MB LDB: TIME 5002.75 LOAD: AVG 0.118065 MAX 0.201513 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.32 MB LDB: ============== END OF LOAD BALANCING =============== 5002.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5002.76 PRESSURE: 1680400 10.9485 -208.606 -75.3197 -208.605 34.3772 -175.582 -75.3203 -175.583 261.34 GPRESSURE: 1680400 32.4115 -127.149 -39.675 -241.237 84.5027 -111.741 -145.881 -215.784 292.992 PRESSAVG: 1680400 -20.2911 7.2811 -30.1335 7.28102 -21.1147 -51.3013 -30.1335 -51.3014 40.391 GPRESSAVG: 1680400 -20.5262 8.24335 -29.5873 5.74058 -22.3752 -52.2344 -31.4381 -53.3619 41.7159 TIMING: 1680400 CPU: 4999.63, 0.00307965/step Wall: 4999.63, 0.00307965/step, 2.83978 hours remaining, 207.218750 MB of memory in use. ENERGY: 1680400 740.6717 2161.6702 1962.4971 104.5515 -206257.6497 17986.4322 0.0000 0.0000 34162.4849 -149139.3420 298.3495 -183301.8269 -149041.8393 299.1853 102.2221 136.6352 556291.9617 -0.3383 -0.3952 PRESSURE: 1680600 -202.728 21.6169 -50.5237 21.6173 -156.344 48.9307 -50.5236 48.9301 -120.065 GPRESSURE: 1680600 -115.037 60.5449 16.7467 8.9343 -176.593 79.881 -111.74 65.8178 -103.448 PRESSAVG: 1680600 45.1803 -9.22633 -45.5605 -9.22631 31.0536 -11.5646 -45.5605 -11.5646 -29.0326 GPRESSAVG: 1680600 46.7533 -9.99698 -44.2056 -8.95486 30.823 -10.082 -44.4045 -9.0247 -30.6206 TIMING: 1680600 CPU: 5000.23, 0.00299798/step Wall: 5000.23, 0.00299798/step, 2.7643 hours remaining, 207.476562 MB of memory in use. ENERGY: 1680600 790.2207 2196.1316 1958.8260 108.7624 -206033.5716 17688.2229 0.0000 0.0000 34083.1135 -149208.2946 297.6563 -183291.4080 -149114.4400 299.3043 -159.7123 -131.6927 557997.4075 15.7338 15.6519 PRESSURE: 1680800 -26.715 -74.3072 -6.32677 -74.3078 -154.116 18.2434 -6.32684 18.2427 -169.073 GPRESSURE: 1680800 -4.3687 -38.1973 -10.6507 -55.1486 -132.088 -50.9867 8.32421 39.5073 -109.609 PRESSAVG: 1680800 -5.25374 -29.0822 -24.1244 -29.082 -48.0891 -62.4331 -24.1245 -62.4332 8.75437 GPRESSAVG: 1680800 -6.26956 -28.7292 -25.3439 -28.058 -49.9837 -63.2427 -25.5541 -64.0808 11.3947 TIMING: 1680800 CPU: 5000.82, 0.00298591/step Wall: 5000.82, 0.00298591/step, 2.75301 hours remaining, 207.476562 MB of memory in use. ENERGY: 1680800 738.8393 2102.0632 1944.0235 110.7243 -206120.5273 17671.2869 0.0000 0.0000 34261.8722 -149291.7179 299.2175 -183553.5900 -149189.4688 299.2252 -116.6349 -82.0220 558968.0035 -14.8628 -14.9529 PRESSURE: 1681000 215.644 171.035 53.3512 171.034 96.876 70.6714 53.3501 70.6708 51.236 GPRESSURE: 1681000 251.803 137.759 86.2414 221.395 169.089 88.2192 9.79729 23.1788 39.565 PRESSAVG: 1681000 36.5871 0.235932 -6.05966 0.235949 7.5507 -21.9066 -6.05952 -21.9066 4.68224 GPRESSAVG: 1681000 37.3885 0.463875 -4.9519 -0.622489 8.23734 -23.295 -5.17083 -21.1215 3.15206 TIMING: 1681000 CPU: 5001.42, 0.00299035/step Wall: 5001.42, 0.00299035/step, 2.75694 hours remaining, 207.476562 MB of memory in use. ENERGY: 1681000 714.0589 2166.0705 1935.3489 110.8241 -206485.6781 17996.0068 0.0000 0.0000 34327.8627 -149235.5061 299.7938 -183563.3688 -149136.8845 298.5026 121.2519 153.4858 559406.6689 16.2733 16.2593 PRESSURE: 1681200 76.0136 18.4296 -11.5187 18.43 -107.018 76.9802 -11.5183 76.9793 -313.208 GPRESSURE: 1681200 59.0488 54.6968 -50.6706 -45.8243 -84.4328 49.1244 -53.8497 110.697 -228.447 PRESSAVG: 1681200 -35.7731 38.3436 -12.2168 38.3437 2.84058 16.9185 -12.2167 16.9186 -2.57399 GPRESSAVG: 1681200 -35.3646 39.4927 -11.6335 39.7697 3.59681 20.3928 -12.7311 14.6474 -3.11135 TIMING: 1681200 CPU: 5002.02, 0.00299228/step Wall: 5002.02, 0.00299228/step, 2.75855 hours remaining, 207.734375 MB of memory in use. ENERGY: 1681200 746.3571 2091.3246 1986.3650 106.4414 -206283.3277 17777.6377 0.0000 0.0000 34280.9589 -149294.2430 299.3841 -183575.2020 -149198.6193 298.5786 -114.7375 -84.6102 558698.8890 -11.8355 -11.6264 PRESSURE: 1681400 -40.9134 153.461 156.135 153.461 175.249 -92.5169 156.136 -92.5163 -221.152 GPRESSURE: 1681400 24.4648 207.595 190.978 145.74 168.426 -96.7194 96.0969 -127.02 -176.742 PRESSAVG: 1681400 26.0697 16.1059 -18.1897 16.1059 84.769 -18.6564 -18.1898 -18.6564 -50.8979 GPRESSAVG: 1681400 25.4179 15.1838 -19.1043 14.5978 85.6917 -20.3382 -19.3731 -18.8433 -51.1516 TIMING: 1681400 CPU: 5002.61, 0.00297546/step Wall: 5002.61, 0.00297546/step, 2.74287 hours remaining, 207.734375 MB of memory in use. ENERGY: 1681400 741.6612 2097.6733 1961.5703 128.4297 -206159.0448 17684.0947 0.0000 0.0000 34127.3592 -149418.2565 298.0427 -183545.6156 -149322.9343 299.4976 -28.9390 5.3831 557462.8093 19.9803 19.9860 PRESSURE: 1681600 -151.968 -2.76098 -96.9405 -2.76098 93.8091 21.0001 -96.9407 21.0001 31.5745 GPRESSURE: 1681600 -46.2579 32.87 -123.826 8.35459 74.9756 4.68535 49.1375 18.8353 45.6217 PRESSAVG: 1681600 -59.0055 48.138 -21.9267 48.1381 17.2708 -27.6186 -21.9266 -27.6185 -1.93732 GPRESSAVG: 1681600 -59.1709 49.4844 -22.4778 48.6659 16.2342 -26.2802 -21.1498 -28.9661 -1.07805 TIMING: 1681600 CPU: 5003.21, 0.0029608/step Wall: 5003.21, 0.0029608/step, 2.7292 hours remaining, 207.734375 MB of memory in use. ENERGY: 1681600 750.8311 2113.3733 1970.7556 113.5717 -206753.4330 17953.7006 0.0000 0.0000 34412.9682 -149438.2326 300.5370 -183851.2008 -149344.1514 299.1647 -8.8615 24.7798 556878.4371 -14.5573 -14.6716 PRESSURE: 1681800 -37.8762 -66.9749 37.2119 -66.9755 -81.9034 -8.99057 37.2123 -8.98946 -101.054 GPRESSURE: 1681800 -16.4123 38.7944 -4.81232 -104.06 -46.7584 11.1279 58.5491 24.6088 -65.0945 PRESSAVG: 1681800 44.0908 -2.8198 -27.5259 -2.81988 -19.3373 51.7114 -27.5258 51.7114 11.1625 GPRESSAVG: 1681800 43.8206 -4.26492 -28.3348 -1.4849 -20.12 52.7619 -27.3369 53.8495 12.107 TIMING: 1681800 CPU: 5003.8, 0.0029727/step Wall: 5003.8, 0.0029727/step, 2.74 hours remaining, 207.734375 MB of memory in use. ENERGY: 1681800 761.7824 2042.7134 1985.0279 116.1133 -206088.0639 17491.7597 0.0000 0.0000 34034.0923 -149656.5748 297.2282 -183690.6671 -149561.5230 298.6433 -73.6111 -42.7551 556516.4923 11.9720 11.9359 PRESSURE: 1682000 -12.3365 16.3739 82.2552 16.3729 -15.4853 -78.9301 82.2558 -78.9312 -169.952 GPRESSURE: 1682000 52.68 -80.8013 112.986 -20.2553 -10.058 -92.6186 -3.55882 -78.4668 -146.201 PRESSAVG: 1682000 1.28725 -13.6857 12.7494 -13.6858 27.7004 19.4779 12.7495 19.478 -0.454838 GPRESSAVG: 1682000 1.11775 -12.3922 14.124 -14.7096 28.2263 15.1854 11.4649 19.216 -1.45899 TIMING: 1682000 CPU: 5004.4, 0.00296726/step Wall: 5004.4, 0.00296726/step, 2.73482 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: 1682000 763.7014 2101.5770 1990.3126 113.0191 -206318.4946 17732.2449 0.0000 0.0000 34031.9613 -149585.6783 297.2096 -183617.6396 -149486.4604 298.3645 -65.9247 -34.5265 556716.5294 9.5109 9.2950 PRESSURE: 1682200 -62.9984 9.57374 48.9265 9.57462 -210.665 31.4997 48.9262 31.4998 26.8963 GPRESSURE: 1682200 -70.2026 5.08972 120.475 -68.9131 -173.798 18.4466 60.9998 10.5297 88.9813 PRESSAVG: 1682200 3.75205 7.62184 54.1401 7.62183 41.2428 15.286 54.1401 15.2861 -52.9684 GPRESSAVG: 1682200 3.89059 6.8115 53.4464 6.85606 40.1459 16.8588 55.7767 15.6746 -51.8573 TIMING: 1682200 CPU: 5004.99, 0.00297416/step Wall: 5004.99, 0.00297416/step, 2.74102 hours remaining, 207.734375 MB of memory in use. ENERGY: 1682200 727.0606 2047.0318 1969.6724 116.5259 -206447.9293 17647.0484 0.0000 0.0000 34247.2594 -149693.3308 299.0898 -183940.5902 -149597.5701 297.5967 -82.2555 -51.6731 555083.9194 -2.6579 -2.6069 PRESSURE: 1682400 -34.1604 -228.292 82.4232 -228.294 274.241 -114.605 82.4237 -114.605 -214.324 GPRESSURE: 1682400 9.56335 -325.793 59.4661 -111.805 267.079 -135.227 124.4 -55.6506 -161.043 PRESSAVG: 1682400 -78.2899 -8.14003 -39.762 -8.14006 44.2163 15.2643 -39.7619 15.2643 19.7494 GPRESSAVG: 1682400 -78.442 -8.80445 -40.3439 -6.4241 46.6814 16.3228 -39.4435 14.504 17.2564 TIMING: 1682400 CPU: 5005.58, 0.00297542/step Wall: 5005.58, 0.00297542/step, 2.74202 hours remaining, 207.734375 MB of memory in use. ENERGY: 1682400 702.3819 2106.3077 1970.7548 119.4566 -206699.2015 17867.5333 0.0000 0.0000 34283.2288 -149649.5384 299.4040 -183932.7672 -149559.3624 298.3358 8.5855 38.5332 555483.5905 -4.7747 -4.8347 PRESSURE: 1682600 8.93768 119.73 -18.7553 119.731 149.264 169.744 -18.7553 169.744 136.032 GPRESSURE: 1682600 43.9376 139.776 38.4014 42.86 146.298 176.442 -114.508 168.912 183.255 PRESSAVG: 1682600 -26.8682 31.7951 -16.5096 31.7952 78.2547 -17.238 -16.5095 -17.238 -35.3872 GPRESSAVG: 1682600 -27.5418 33.8494 -15.6488 30.9297 77.7035 -15.0103 -17.0842 -17.757 -34.3852 TIMING: 1682600 CPU: 5006.19, 0.00300501/step Wall: 5006.19, 0.00300501/step, 2.76911 hours remaining, 207.734375 MB of memory in use. ENERGY: 1682600 723.4205 2069.4381 1957.0908 114.9511 -206388.9914 17826.6280 0.0000 0.0000 34167.1985 -149530.2644 298.3906 -183697.4629 -149438.5636 297.8277 98.0778 124.4969 556127.2700 5.3331 5.2589 PRESSURE: 1682800 126.515 -115.813 71.036 -115.815 -73.5894 2.99497 71.0367 2.99606 -85.7855 GPRESSURE: 1682800 235.024 -187.386 74.8434 -144.903 -89.8067 23.8169 171.688 1.00163 -81.0335 PRESSAVG: 1682800 42.0099 20.1298 -1.5584 20.1297 32.3802 14.2152 -1.55839 14.2153 -64.581 GPRESSAVG: 1682800 42.8977 17.8377 -2.23532 21.4548 31.275 10.3753 -1.18623 16.3508 -64.5615 TIMING: 1682800 CPU: 5006.78, 0.0029895/step Wall: 5006.78, 0.0029895/step, 2.75466 hours remaining, 207.734375 MB of memory in use. ENERGY: 1682800 753.0968 2071.7707 1933.0159 112.5174 -206511.4059 17886.2796 0.0000 0.0000 34159.9574 -149594.7682 298.3274 -183754.7256 -149503.3230 298.3404 -10.9532 21.3946 556631.9615 3.2697 3.2037 PRESSURE: 1683000 -7.38926 -34.7363 -133.044 -34.7368 -155.529 101.084 -133.045 101.081 -126.589 GPRESSURE: 1683000 24.7437 4.16283 -166.91 -38.0632 -162.688 22.534 -142.242 129.013 -47.1757 PRESSAVG: 1683000 11.0434 -18.4297 69.1709 -18.4297 -98.2687 28.4343 69.1709 28.4343 38.616 GPRESSAVG: 1683000 9.97823 -16.0209 70.1364 -20.7915 -98.594 27.4616 68.2862 28.8214 39.7758 TIMING: 1683000 CPU: 5007.38, 0.00296631/step Wall: 5007.38, 0.00296631/step, 2.73312 hours remaining, 207.734375 MB of memory in use. ENERGY: 1683000 733.8090 2080.8856 1946.0500 109.7075 -206338.5461 17721.1043 0.0000 0.0000 34224.9417 -149522.0479 298.8949 -183746.9896 -149431.7252 298.5693 -96.5023 -61.7068 556915.1571 -16.2031 -16.2800 PRESSURE: 1683200 -342.565 -70.4867 -137.205 -70.4861 -506.952 165.292 -137.207 165.292 77.4511 GPRESSURE: 1683200 -288.592 -124.039 -84.1084 6.52269 -491.118 221.631 -86.5365 111.43 100.678 PRESSAVG: 1683200 -55.0148 -60.6465 -12.5067 -60.6464 -15.1522 20.7643 -12.5067 20.7643 97.4553 GPRESSAVG: 1683200 -53.0456 -63.4288 -13.0152 -59.4047 -15.3793 22.3252 -12.0556 18.0837 95.9703 TIMING: 1683200 CPU: 5007.97, 0.00297795/step Wall: 5007.97, 0.00297795/step, 2.74369 hours remaining, 207.734375 MB of memory in use. ENERGY: 1683200 748.5449 2099.8733 1960.9716 117.8206 -206379.9735 17620.9170 0.0000 0.0000 34202.9695 -149628.8766 298.7030 -183831.8460 -149537.2031 299.1719 -257.3555 -226.3439 556158.5646 9.0961 9.1818 PRESSURE: 1683400 87.1255 -110.599 -154.179 -110.599 -10.4026 -0.796397 -154.182 -0.796386 3.19263 GPRESSURE: 1683400 126.998 -158.328 -97.45 -137.785 72.6266 -39.0257 -176.582 59.7545 -6.32538 PRESSAVG: 1683400 -29.9702 -59.6274 -19.0017 -59.6273 -32.8679 46.2941 -19.0018 46.2941 35.5927 GPRESSAVG: 1683400 -31.6131 -59.2535 -18.1543 -59.8544 -32.6928 45.6777 -17.3981 48.1484 36.8971 TIMING: 1683400 CPU: 5008.57, 0.00297392/step Wall: 5008.57, 0.00297392/step, 2.73981 hours remaining, 207.734375 MB of memory in use. ENERGY: 1683400 711.6577 2088.3736 1965.8607 113.6230 -206737.1782 17980.4560 0.0000 0.0000 34200.1655 -149677.0417 298.6786 -183877.2072 -149589.6140 297.3822 26.6385 64.4332 557018.8774 -9.0818 -9.1363 PRESSURE: 1683600 21.457 33.5191 64.0105 33.5203 -133.733 45.6701 64.0106 45.6688 -319.188 GPRESSURE: 1683600 69.794 -7.17375 -15.4705 -12.767 -92.7081 11.388 152.702 59.8167 -292.45 PRESSAVG: 1683600 38.5885 18.7423 17.8333 18.7424 -13.5815 -27.1464 17.8332 -27.1465 11.4796 GPRESSAVG: 1683600 37.8817 19.6335 16.8982 17.9147 -13.1199 -27.5571 17.3398 -26.7561 11.5862 TIMING: 1683600 CPU: 5009.16, 0.00296373/step Wall: 5009.16, 0.00296373/step, 2.73025 hours remaining, 207.734375 MB of memory in use. ENERGY: 1683600 755.8451 2090.8223 1922.4245 119.2890 -206152.1020 17527.8350 0.0000 0.0000 34231.7473 -149504.1388 298.9544 -183735.8861 -149403.9934 297.4211 -143.8215 -105.1212 556325.0376 12.1622 12.1160 PRESSURE: 1683800 159.967 -96.0919 61.0546 -96.0934 30.9793 51.6184 61.0542 51.6184 153.957 GPRESSURE: 1683800 248.843 -101.445 13.0382 -155.903 25.5843 58.8509 169.095 31.3592 168.437 PRESSAVG: 1683800 6.88046 -23.2156 -39.6479 -23.2156 -7.59685 -23.2834 -39.6478 -23.2834 4.69489 GPRESSAVG: 1683800 7.75175 -24.1143 -38.1043 -23.9981 -7.46805 -22.2954 -41.3252 -24.4888 3.80623 TIMING: 1683800 CPU: 5009.75, 0.00296337/step Wall: 5009.75, 0.00296337/step, 2.72975 hours remaining, 207.734375 MB of memory in use. ENERGY: 1683800 750.9284 2064.6997 1936.5574 103.9302 -206723.9987 18153.9131 0.0000 0.0000 34208.7312 -149505.2389 298.7534 -183713.9700 -149413.4993 298.0345 114.9679 147.6215 556470.6557 1.3262 1.3633 PRESSURE: 1684000 138.814 -36.883 -35.1416 -36.8821 5.40903 -30.321 -35.1431 -30.3213 -38.4012 GPRESSURE: 1684000 225.476 -107.549 -101.852 65.172 -0.0223406 -35.1179 -9.35508 -29.8979 -12.0625 PRESSAVG: 1684000 -9.05097 -26.6498 10.954 -26.6498 1.271 -83.197 10.954 -83.1969 46.7955 GPRESSAVG: 1684000 -9.25737 -27.2656 10.8397 -24.4561 1.17763 -84.7411 11.0624 -82.4497 47.306 TIMING: 1684000 CPU: 5010.34, 0.00295424/step Wall: 5010.34, 0.00295424/step, 2.72118 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: 1684000 735.9113 2053.7914 1930.7585 105.1520 -206755.1462 18123.3260 0.0000 0.0000 34210.3630 -149595.8441 298.7676 -183806.2071 -149495.4636 298.3875 35.2740 71.1305 556521.8803 13.0052 13.0754 PRESSURE: 1684200 22.2737 -17.0881 114.994 -17.0874 -110.054 175.051 114.994 175.051 -203.386 GPRESSURE: 1684200 107.39 -157.087 63.7482 54.0634 -93.5034 169.069 96.3928 187.74 -212.303 PRESSAVG: 1684200 -26.8295 11.3432 26.0898 11.3431 -12.5108 -9.44612 26.0897 -9.44615 4.76274 GPRESSAVG: 1684200 -25.6469 11.9576 25.3354 11.355 -13.4981 -6.5471 26.2156 -11.4375 4.34635 TIMING: 1684200 CPU: 5010.94, 0.00296632/step Wall: 5010.94, 0.00296632/step, 2.73215 hours remaining, 207.734375 MB of memory in use. ENERGY: 1684200 773.5798 2174.2031 1932.8242 99.4015 -206529.1513 17807.7952 0.0000 0.0000 34238.7852 -149502.5623 299.0158 -183741.3474 -149401.6126 299.0098 -97.0556 -66.1386 558283.6401 -11.5259 -11.5996 LDB: ============= START OF LOAD BALANCING ============== 5014.36 LDB: ============== END OF LOAD BALANCING =============== 5014.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5014.36 LDB: ============= START OF LOAD BALANCING ============== 5014.66 LDB: Largest compute 4821 load 0.025569 is 21.7% of average load 0.118029 LDB: Average compute 0.001706 is 1.4% of average load 0.118029 LDB: TIME 5014.67 LOAD: AVG 0.118029 MAX 0.199283 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 5014.67 LOAD: AVG 0.118029 MAX 0.199283 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.816 MB LDB: TIME 5014.67 LOAD: AVG 0.118029 MAX 0.199283 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.816 MB LDB: ============== END OF LOAD BALANCING =============== 5014.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5014.67 PRESSURE: 1684400 -10.2174 77.9539 -25.0629 77.9535 117.705 -238.529 -25.0613 -238.529 -67.2118 GPRESSURE: 1684400 71.473 162.74 2.59179 -6.61055 57.151 -348.774 -58.0036 -184.09 11.3504 PRESSAVG: 1684400 45.1994 18.9933 3.4682 18.9932 -17.414 -6.97659 3.46817 -6.97652 4.88002 GPRESSAVG: 1684400 44.5717 20.2681 0.882362 17.6449 -16.3269 -7.12173 4.41363 -6.7413 4.02263 TIMING: 1684400 CPU: 5011.54, 0.00303034/step Wall: 5011.54, 0.00303034/step, 2.79094 hours remaining, 207.460938 MB of memory in use. ENERGY: 1684400 767.5582 2050.4031 1959.0627 114.5305 -206492.6210 18003.2347 0.0000 0.0000 34025.4224 -149572.4095 297.1525 -183597.8319 -149478.1324 298.6857 13.4253 46.6581 557170.3401 10.8885 10.7558 PRESSURE: 1684600 -160.773 73.6592 -82.6587 73.6596 -307.148 -139.469 -82.6585 -139.47 72.7416 GPRESSURE: 1684600 -76.3484 94.7817 -48.6597 51.8292 -335.74 -110.307 -51.8137 -240.766 102.973 PRESSAVG: 1684600 -3.7106 9.92629 -8.1178 9.92639 -35.5774 16.7591 -8.11779 16.7593 59.3824 GPRESSAVG: 1684600 -2.63896 9.71421 -5.02815 11.0872 -37.001 17.4713 -6.5482 17.1073 59.6802 TIMING: 1684600 CPU: 5012.14, 0.00297616/step Wall: 5012.14, 0.00297616/step, 2.74088 hours remaining, 207.531250 MB of memory in use. ENERGY: 1684600 746.0156 2066.1803 1940.0815 115.2473 -206145.2530 17661.7406 0.0000 0.0000 34128.0473 -149487.9404 298.0487 -183615.9877 -149392.5667 298.3502 -131.7266 -103.0384 558940.0729 6.6982 6.6801 PRESSURE: 1684800 287.32 39.3395 122.913 39.3388 -73.2231 -17.7713 122.912 -17.7725 102.357 GPRESSURE: 1684800 328.844 51.4778 127.581 -76.3558 -49.3266 -4.69131 115.247 21.9204 114.932 PRESSAVG: 1684800 -69.6285 33.7751 -14.0602 33.775 -47.3224 -45.1802 -14.0601 -45.1801 113.333 GPRESSAVG: 1684800 -71.8434 34.2809 -14.126 33.4493 -45.8923 -45.5064 -15.5485 -45.094 114.038 TIMING: 1684800 CPU: 5012.73, 0.00298239/step Wall: 5012.73, 0.00298239/step, 2.74645 hours remaining, 207.531250 MB of memory in use. ENERGY: 1684800 740.8108 2061.2678 1950.7998 112.3289 -206522.3133 17864.4812 0.0000 0.0000 34274.7248 -149517.8999 299.3297 -183792.6247 -149417.1749 298.0215 105.4845 131.4831 556920.4881 -1.2061 -1.2325 PRESSURE: 1685000 -48.8037 -111.409 -20.3008 -111.408 -193.215 -32.3608 -20.3007 -32.3613 226.912 GPRESSURE: 1685000 35.8006 18.0233 28.546 -131.865 -158.084 -33.2662 -114.022 3.2695 199.461 PRESSAVG: 1685000 -22.3252 4.46618 4.06898 4.46611 -47.3635 48.9023 4.06899 48.9022 43.8262 GPRESSAVG: 1685000 -22.0959 5.4634 4.02863 3.10188 -46.2625 47.681 3.88816 51.0697 42.7648 TIMING: 1685000 CPU: 5013.33, 0.00297581/step Wall: 5013.33, 0.00297581/step, 2.74022 hours remaining, 207.531250 MB of memory in use. ENERGY: 1685000 759.5805 2092.1479 1939.4157 110.5227 -206178.2782 17887.7700 0.0000 0.0000 34080.8776 -149307.9638 297.6368 -183388.8414 -149206.7576 298.6678 -5.0353 25.7259 557746.3213 -8.6209 -8.5312 PRESSURE: 1685200 -270.533 39.7872 -11.0774 39.7872 -320.06 8.75608 -11.0782 8.75642 -174.75 GPRESSURE: 1685200 -230.86 42.3994 -115.533 56.0103 -311.969 -68.8796 54.2929 18.9957 -121.082 PRESSAVG: 1685200 53.4922 28.1028 -13.382 28.1028 -56.8783 31.7047 -13.382 31.7048 0.705 GPRESSAVG: 1685200 54.6049 26.0763 -12.9349 26.4573 -58.3338 32.3208 -13.5023 30.8412 0.950545 TIMING: 1685200 CPU: 5013.93, 0.00298354/step Wall: 5013.93, 0.00298354/step, 2.74717 hours remaining, 207.531250 MB of memory in use. ENERGY: 1685200 733.8511 2069.4993 1939.2884 117.3912 -205874.0161 17338.3912 0.0000 0.0000 34245.6882 -149429.9067 299.0761 -183675.5949 -149341.5479 298.2000 -255.1143 -221.3036 559196.1616 -0.8937 -0.9261 PRESSURE: 1685400 -24.4795 73.9819 20.6367 73.982 -287.255 90.4896 20.6364 90.4907 158.297 GPRESSURE: 1685400 54.8599 78.9691 -2.03951 106.194 -296.398 121.351 42.8183 77.532 178.661 PRESSAVG: 1685400 -14.7322 27.7509 20.7727 27.7509 -91.9018 11.1961 20.7727 11.1962 48.7025 GPRESSAVG: 1685400 -14.5095 28.9187 18.656 29.8299 -90.6051 12.31 20.4984 10.0153 47.1677 TIMING: 1685400 CPU: 5014.53, 0.00299838/step Wall: 5014.53, 0.00299838/step, 2.76067 hours remaining, 207.531250 MB of memory in use. ENERGY: 1685400 750.6550 2085.6119 1946.1960 115.7496 -206520.7655 17827.2612 0.0000 0.0000 34369.5719 -149425.7198 300.1580 -183795.2917 -149330.1188 299.1365 -51.1457 -20.9591 555650.7030 -19.3105 -19.3157 PRESSURE: 1685600 -39.6505 -57.4977 -188.959 -57.4964 -67.9657 93.324 -188.961 93.324 -139.026 GPRESSURE: 1685600 -67.7708 -4.27869 -231.361 -72.6212 36.0764 91.4982 -116.873 130.845 -109.755 PRESSAVG: 1685600 -29.6835 -14.4608 -11.3622 -14.4608 -33.5 14.9806 -11.3621 14.9806 44.8781 GPRESSAVG: 1685600 -29.6528 -16.0955 -10.0049 -13.1426 -34.0565 13.5897 -9.93353 16.577 45.2716 TIMING: 1685600 CPU: 5015.13, 0.00299507/step Wall: 5015.13, 0.00299507/step, 2.75746 hours remaining, 207.531250 MB of memory in use. ENERGY: 1685600 715.3761 2055.5081 1937.1669 115.2186 -206450.9559 17726.7686 0.0000 0.0000 34385.6021 -149515.3155 300.2980 -183900.9177 -149414.6270 298.4156 -82.2139 -47.1498 556412.7619 -6.1018 -6.1459 PRESSURE: 1685800 -66.0088 104.367 132.915 104.368 -178.11 -52.3648 132.915 -52.3652 115.69 GPRESSURE: 1685800 -33.4596 165.254 153.312 -24.6037 -114.597 -27.8427 52.0748 -33.9322 114.552 PRESSAVG: 1685800 -28.4525 47.7506 5.95538 47.7505 -3.30123 -13.7038 5.95538 -13.7038 30.536 GPRESSAVG: 1685800 -29.7398 49.3168 5.98897 47.7109 -3.44665 -12.0081 5.69582 -15.5128 31.7499 TIMING: 1685800 CPU: 5015.73, 0.00302596/step Wall: 5015.73, 0.00302596/step, 2.78573 hours remaining, 207.531250 MB of memory in use. ENERGY: 1685800 768.4264 2105.6721 1928.1574 108.3616 -206275.1020 17710.5554 0.0000 0.0000 34225.3124 -149428.6169 298.8982 -183653.9293 -149330.9737 298.2064 -42.8096 -11.1684 558457.0311 -0.4059 -0.4788 PRESSURE: 1686000 -77.2127 -69.1237 149.559 -69.1235 176.121 -46.5425 149.559 -46.5421 -81.0247 GPRESSURE: 1686000 -45.1805 -117.401 125.027 -105.867 214.967 -98.9503 145.919 -2.51599 -60.6085 PRESSAVG: 1686000 -19.1409 13.3185 56.1043 13.3185 -30.2868 -55.4284 56.1043 -55.4285 14.2513 GPRESSAVG: 1686000 -17.9829 10.5284 56.5875 13.981 -30.9961 -55.4687 54.2702 -54.3666 13.9756 TIMING: 1686000 CPU: 5016.33, 0.00300465/step Wall: 5016.33, 0.00300465/step, 2.76595 hours remaining, 207.531250 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: 1686000 767.8889 2102.6760 1928.6038 121.3477 -206703.0607 17979.0120 0.0000 0.0000 34252.5293 -149551.0030 299.1359 -183803.5322 -149453.4109 298.8281 5.9613 36.3928 558596.8091 -11.7255 -11.6678 PRESSURE: 1686200 258.953 30.9902 116.584 30.9897 35.378 -57.8554 116.585 -57.8539 221.445 GPRESSURE: 1686200 293.26 21.9285 114.227 74.5628 51.0987 -20.765 44.3471 -89.3998 269.322 PRESSAVG: 1686200 6.34095 1.18335 -0.91226 1.18329 -28.1302 3.32254 -0.912365 3.32266 45.5836 GPRESSAVG: 1686200 5.52746 2.54558 -1.5502 -1.57825 -27.6507 4.4284 1.89454 2.13526 44.9528 TIMING: 1686200 CPU: 5016.93, 0.00299885/step Wall: 5016.93, 0.00299885/step, 2.76044 hours remaining, 207.531250 MB of memory in use. ENERGY: 1686200 766.6478 2094.2358 1920.0682 119.8917 -206796.2510 18152.3548 0.0000 0.0000 34193.2091 -149549.8436 298.6178 -183743.0527 -149449.0466 297.8989 171.9253 204.5602 557001.9231 7.9314 7.6098 PRESSURE: 1686400 -54.1822 -45.4754 -32.3808 -45.4745 -89.1336 -141.916 -32.3814 -141.916 -266.86 GPRESSURE: 1686400 -54.2285 -7.21366 -1.90158 -99.0491 -54.2014 -94.4364 -42.1496 -176.222 -206.714 PRESSAVG: 1686400 -2.32814 -42.068 17.4948 -42.0679 -31.5619 21.8277 17.4949 21.8278 31.0655 GPRESSAVG: 1686400 -2.7806 -42.2034 18.4855 -41.9284 -31.5754 20.7964 14.7314 24.1399 31.3628 TIMING: 1686400 CPU: 5017.53, 0.00297565/step Wall: 5017.53, 0.00297565/step, 2.73892 hours remaining, 207.531250 MB of memory in use. ENERGY: 1686400 770.6455 2130.7452 1936.3085 117.2038 -205965.1836 17707.9093 0.0000 0.0000 33989.3904 -149312.9809 296.8378 -183302.3714 -149212.5501 299.0764 -136.7251 -105.0480 558634.3595 -0.9415 -0.9977 PRESSURE: 1686600 138.656 -34.5984 -84.931 -34.5978 9.67601 2.60621 -84.9298 2.60559 -2.21833 GPRESSURE: 1686600 144.165 -23.274 -111.605 12.6714 67.9699 -12.6245 -104.341 20.6638 35.2838 PRESSAVG: 1686600 -32.8068 -5.08984 -30.1523 -5.08986 88.8988 -0.518209 -30.1523 -0.518223 -88.6774 GPRESSAVG: 1686600 -32.3841 -5.43132 -31.3487 -5.34263 88.449 -4.30495 -30.0921 0.37816 -89.1207 TIMING: 1686600 CPU: 5018.12, 0.00297657/step Wall: 5018.12, 0.00297657/step, 2.7396 hours remaining, 207.531250 MB of memory in use. ENERGY: 1686600 783.5089 2194.9525 1916.7188 104.9992 -206880.0269 18138.7758 0.0000 0.0000 34381.4415 -149359.6303 300.2617 -183741.0718 -149259.3588 298.7569 48.7044 82.4731 557510.4202 -10.8618 -11.0186 PRESSURE: 1686800 137.928 -62.623 -152.436 -62.6234 -197.576 -26.1808 -152.437 -26.1798 172.299 GPRESSURE: 1686800 180.898 -29.2489 -137.691 4.36351 -137.88 -94.1884 -165.248 49.3388 155.196 PRESSAVG: 1686800 51.2581 55.1449 -11.626 55.145 23.1247 -12.6537 -11.6259 -12.6537 -58.945 GPRESSAVG: 1686800 50.8133 56.1037 -11.3889 55.9141 22.4319 -10.5412 -13.3145 -15.3725 -57.5972 TIMING: 1686800 CPU: 5018.71, 0.0029621/step Wall: 5018.71, 0.0029621/step, 2.72612 hours remaining, 207.531250 MB of memory in use. ENERGY: 1686800 712.2504 2156.8834 1935.8189 112.3157 -206728.2876 17961.2676 0.0000 0.0000 34576.5674 -149273.1842 301.9658 -183849.7516 -149183.2217 299.7692 37.5501 66.0712 557605.2805 5.1459 5.2160 PRESSURE: 1687000 -9.94617 -46.7045 70.8215 -46.7042 59.4424 140.787 70.8214 140.787 -176.25 GPRESSURE: 1687000 16.3604 -70.7759 88.4202 -86.3477 73.8309 178.998 81.4171 83.3618 -125.791 PRESSAVG: 1687000 24.9406 38.3864 -47.5285 38.3864 -10.7206 -16.3685 -47.5285 -16.3683 -4.03051 GPRESSAVG: 1687000 24.35 38.2517 -47.664 37.5759 -9.45009 -15.9462 -45.0724 -16.3771 -4.11158 TIMING: 1687000 CPU: 5019.31, 0.00297919/step Wall: 5019.31, 0.00297919/step, 2.74168 hours remaining, 207.531250 MB of memory in use. ENERGY: 1687000 755.2210 2118.9070 1934.3607 121.5060 -206129.5590 17659.9158 0.0000 0.0000 34245.5107 -149294.1377 299.0746 -183539.6484 -149195.5085 299.6864 -42.2512 -11.8666 557041.4637 3.3965 3.5961 PRESSURE: 1687200 -44.6757 -70.3187 54.1372 -70.3187 -52.3975 100.915 54.1377 100.915 8.96788 GPRESSURE: 1687200 -38.5778 -61.6136 73.7065 42.8333 19.7576 31.4322 85.5911 129.339 28.0285 PRESSAVG: 1687200 -33.5888 -38.9386 29.3222 -38.9388 2.16501 34.924 29.322 34.9239 34.17 GPRESSAVG: 1687200 -32.1419 -40.806 30.4564 -35.9707 1.23646 35.4897 28.9751 33.7227 33.8287 TIMING: 1687200 CPU: 5019.9, 0.00295718/step Wall: 5019.9, 0.00295718/step, 2.72126 hours remaining, 207.531250 MB of memory in use. ENERGY: 1687200 746.7272 2125.4552 1918.1595 113.7222 -205986.6465 17676.7311 0.0000 0.0000 34141.2768 -149264.5746 298.1643 -183405.8514 -149166.5690 298.9252 -29.3685 3.0694 557501.8786 0.9154 0.9744 PRESSURE: 1687400 79.0874 -9.34843 -37.6479 -9.34871 227.928 12.3864 -37.6473 12.3874 296.924 GPRESSURE: 1687400 127.884 -30.7784 -37.0027 -36.3021 275.181 -106.497 -8.1562 91.3608 297.379 PRESSAVG: 1687400 10.6757 -9.35766 -46.5536 -9.35757 -23.5283 37.0121 -46.5535 37.0119 -52.2279 GPRESSAVG: 1687400 9.90747 -6.78331 -48.4314 -11.1419 -22.1841 35.7291 -44.7171 37.7482 -52.2247 TIMING: 1687400 CPU: 5020.49, 0.00296625/step Wall: 5020.49, 0.00296625/step, 2.72945 hours remaining, 207.531250 MB of memory in use. ENERGY: 1687400 725.2385 2137.7540 1940.4678 108.4007 -206537.3711 18023.0437 0.0000 0.0000 34422.1726 -149180.2938 300.6174 -183602.4665 -149075.2332 299.3140 201.3130 233.4813 555880.7607 -21.6935 -21.5005 PRESSURE: 1687600 27.6475 -39.1721 231.657 -39.172 -62.0107 -73.7792 231.657 -73.7804 -93.5667 GPRESSURE: 1687600 27.2918 -42.4891 189.941 -31.5822 -38.3814 -16.5578 235.539 -98.6467 -13.3921 PRESSAVG: 1687600 22.4468 -16.6424 -8.9997 -16.6425 49.6689 3.45909 -8.99959 3.45909 -49.5597 GPRESSAVG: 1687600 22.804 -19.0602 -7.3136 -17.4104 49.6079 4.44948 -10.7234 3.17283 -49.6358 TIMING: 1687600 CPU: 5021.08, 0.00294308/step Wall: 5021.08, 0.00294308/step, 2.70796 hours remaining, 207.531250 MB of memory in use. ENERGY: 1687600 728.4484 2123.5741 1910.6213 117.3950 -206136.7205 17742.3555 0.0000 0.0000 34262.3592 -149251.9671 299.2217 -183514.3264 -149154.2520 299.5921 -42.6433 -8.1606 557770.9936 7.5186 7.5920 PRESSURE: 1687800 3.03342 -133.988 57.9593 -133.989 -75.2424 -92.6629 57.9584 -92.6605 -259.846 GPRESSURE: 1687800 8.74544 -75.2075 141.25 -223.177 -87.2593 -49.9374 -32.3168 -97.4851 -153.225 PRESSAVG: 1687800 -39.1915 -68.5871 33.479 -68.5871 -35.1458 25.3576 33.479 25.3575 62.2766 GPRESSAVG: 1687800 -39.3756 -66.7707 33.8868 -69.0556 -35.8625 25.8851 32.8836 27.8235 63.1834 TIMING: 1687800 CPU: 5021.68, 0.00295912/step Wall: 5021.68, 0.00295912/step, 2.72256 hours remaining, 207.531250 MB of memory in use. ENERGY: 1687800 751.3421 2045.6305 1914.7130 118.1678 -206034.5635 17633.7739 0.0000 0.0000 34369.7524 -149201.1838 300.1596 -183570.9362 -149099.0286 299.3511 -110.6849 -77.2464 559095.2814 -4.0202 -4.0183 PRESSURE: 1688000 39.0484 -66.6996 -95.2499 -66.6997 167.804 26.4196 -95.2483 26.4196 143.27 GPRESSURE: 1688000 93.7016 -30.2419 -87.5819 -9.56905 165.359 19.2902 -2.89278 85.027 181.358 PRESSAVG: 1688000 -24.2336 -28.3859 11.1742 -28.3858 20.4356 -26.0196 11.1743 -26.0197 16.7627 GPRESSAVG: 1688000 -23.224 -29.3273 8.73398 -25.7832 20.6333 -27.3917 11.3345 -26.2226 15.6148 TIMING: 1688000 CPU: 5022.27, 0.00297792/step Wall: 5022.27, 0.00297792/step, 2.73968 hours remaining, 207.531250 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: 1688000 731.3883 2045.2630 1941.3810 116.7347 -206064.1425 18080.6540 0.0000 0.0000 34161.6551 -148987.0664 298.3422 -183148.7214 -148881.8172 299.0908 116.7074 146.8062 558619.2131 4.3216 4.3414 PRESSURE: 1688200 -230.691 -32.2924 -39.5659 -32.2925 -186.736 100.376 -39.5648 100.375 155.648 GPRESSURE: 1688200 -273.464 -16.1827 17.5517 -34.5049 -143.137 63.9503 -56.4873 117.852 256.091 PRESSAVG: 1688200 -36.3694 3.38545 41.9931 3.38552 17.4744 -17.2695 41.9931 -17.2695 22.864 GPRESSAVG: 1688200 -37.0986 4.73805 42.9119 1.70898 18.7168 -17.4907 43.2929 -19.1795 22.6817 TIMING: 1688200 CPU: 5022.87, 0.00297582/step Wall: 5022.87, 0.00297582/step, 2.73759 hours remaining, 207.531250 MB of memory in use. ENERGY: 1688200 784.1563 2042.2111 1942.5880 114.8069 -206137.6785 17731.7174 0.0000 0.0000 34659.4775 -148862.7212 302.6898 -183522.1987 -148768.6116 299.6019 -87.2599 -53.5033 559045.8601 1.3230 1.4333 LDB: ============= START OF LOAD BALANCING ============== 5026.3 LDB: ============== END OF LOAD BALANCING =============== 5026.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5026.3 LDB: ============= START OF LOAD BALANCING ============== 5026.6 LDB: Largest compute 4821 load 0.026316 is 22.3% of average load 0.118126 LDB: Average compute 0.001710 is 1.4% of average load 0.118126 LDB: TIME 5026.6 LOAD: AVG 0.118126 MAX 0.203123 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.008 MB LDB: TIME 5026.6 LOAD: AVG 0.118126 MAX 0.203123 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.078 MB LDB: TIME 5026.6 LOAD: AVG 0.118126 MAX 0.203123 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.078 MB LDB: ============== END OF LOAD BALANCING =============== 5026.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5026.61 PRESSURE: 1688400 -16.893 -65.8641 -0.835525 -65.865 165.217 81.9354 -0.835959 81.935 -77.2299 GPRESSURE: 1688400 31.9721 -59.3283 22.6432 -67.4006 168.604 27.3711 -0.358082 116.456 -25.1706 PRESSAVG: 1688400 -97.2785 -32.43 -18.6181 -32.43 -5.32291 31.5223 -18.6181 31.5225 50.109 GPRESSAVG: 1688400 -97.5324 -33.9129 -18.0875 -31.5062 -7.03282 30.8654 -19.4405 33.1758 50.9586 TIMING: 1688400 CPU: 5023.48, 0.00305069/step Wall: 5023.48, 0.00305069/step, 2.8063 hours remaining, 205.859375 MB of memory in use. ENERGY: 1688400 729.0093 2072.5324 1960.7574 120.8601 -206233.4955 17915.4988 0.0000 0.0000 34355.3539 -149079.4836 300.0339 -183434.8375 -148979.0934 299.5938 23.6979 58.4684 557459.4601 -17.4975 -17.8689 PRESSURE: 1688600 230.76 -120.169 -30.649 -120.169 110.025 35.021 -30.6492 35.0209 388.494 GPRESSURE: 1688600 295.349 -156.356 -106.925 -99.3011 126.067 34.0271 11.5932 34.3667 397.219 PRESSAVG: 1688600 -34.7144 -33.071 69.5925 -33.0712 33.8202 23.2451 69.5925 23.245 -25.0111 GPRESSAVG: 1688600 -34.744 -32.8882 67.9328 -35.3544 33.9795 24.7847 67.6274 23.3847 -25.6829 TIMING: 1688600 CPU: 5024.07, 0.00297555/step Wall: 5024.07, 0.00297555/step, 2.73701 hours remaining, 205.859375 MB of memory in use. ENERGY: 1688600 721.9095 2153.6914 1934.0924 107.2380 -206369.7551 18154.6274 0.0000 0.0000 34289.7004 -149008.4959 299.4605 -183298.1963 -148906.9297 299.2860 243.0930 272.8783 556672.6687 -8.6351 -8.8158 PRESSURE: 1688800 154.829 106.728 -46.7074 106.727 23.241 82.4182 -46.7068 82.4181 237.9 GPRESSURE: 1688800 223.419 68.0567 -14.998 77.2772 43.7057 1.57317 -48.0938 138.5 248.137 PRESSAVG: 1688800 67.3101 -4.17987 -45.4252 -4.17993 -90.275 16.1127 -45.4252 16.1127 65.0816 GPRESSAVG: 1688800 66.4754 -3.41381 -44.5722 -3.4063 -89.2185 16.9603 -44.3492 15.3637 64.5855 TIMING: 1688800 CPU: 5024.66, 0.00296637/step Wall: 5024.66, 0.00296637/step, 2.7284 hours remaining, 205.859375 MB of memory in use. ENERGY: 1688800 746.5981 2144.8889 1965.8348 103.1454 -206287.4036 17992.5163 0.0000 0.0000 34370.7978 -148963.6223 300.1687 -183334.4200 -148874.8289 299.6051 138.6569 171.7538 557827.8215 14.0389 13.9475 PRESSURE: 1689000 -358.65 39.6919 -95.1224 39.6916 -192.329 -134.469 -95.1235 -134.47 -179.885 GPRESSURE: 1689000 -314.866 29.7168 -29.6065 112.543 -101.537 -117.412 -136.698 -122.892 -222.468 PRESSAVG: 1689000 -16.4068 20.5077 -21.6297 20.5076 -10.6239 -10.2351 -21.6297 -10.2351 0.508029 GPRESSAVG: 1689000 -15.8428 20.5449 -20.6327 20.4577 -12.0505 -9.66832 -23.2059 -10.8111 1.06164 TIMING: 1689000 CPU: 5025.25, 0.0029527/step Wall: 5025.25, 0.0029527/step, 2.71566 hours remaining, 205.859375 MB of memory in use. ENERGY: 1689000 767.7811 2099.4934 1961.1053 115.7026 -205847.2831 17481.8740 0.0000 0.0000 34465.4184 -148955.9084 300.9951 -183421.3268 -148859.2179 300.3543 -243.6212 -212.9570 557072.3533 -8.8409 -8.9439 PRESSURE: 1689200 -149.731 -113.603 -64.0928 -113.603 43.6117 69.9183 -64.0926 69.9181 -206.599 GPRESSURE: 1689200 -93.3475 -199.574 -26.0929 -85.4035 47.6381 42.1712 -67.5465 46.5384 -172.208 PRESSAVG: 1689200 -17.3929 -19.917 27.4638 -19.917 51.5788 32.0527 27.4638 32.0528 47.6626 GPRESSAVG: 1689200 -17.8484 -20.9707 25.2753 -20.9215 52.3765 29.3992 29.2854 33.3659 46.4646 TIMING: 1689200 CPU: 5025.85, 0.00295564/step Wall: 5025.85, 0.00295564/step, 2.71821 hours remaining, 205.859375 MB of memory in use. ENERGY: 1689200 735.3910 2130.6907 1953.1017 111.0299 -205838.3506 17654.6927 0.0000 0.0000 34279.5133 -148973.9312 299.3715 -183253.4445 -148878.7726 300.3724 -104.2395 -72.6393 556580.9075 27.2828 26.9976 PRESSURE: 1689400 -42.1908 -158.221 -45.3316 -158.221 -121.695 -4.22823 -45.3313 -4.22782 -87.5444 GPRESSURE: 1689400 10.1965 -132.162 8.24376 -109.005 -78.9985 -74.6501 18.8864 14.5389 -88.0679 PRESSAVG: 1689400 -43.0779 -77.23 -1.34106 -77.23 48.1741 12.9301 -1.34106 12.93 -21.0281 GPRESSAVG: 1689400 -42.6796 -77.3176 0.805718 -73.8522 48.6889 15.9705 -1.03082 12.1953 -21.2387 TIMING: 1689400 CPU: 5026.44, 0.00296546/step Wall: 5026.44, 0.00296546/step, 2.72707 hours remaining, 205.859375 MB of memory in use. ENERGY: 1689400 728.0050 2125.6654 1949.7653 117.5278 -205871.9668 17684.8987 0.0000 0.0000 34303.7145 -148962.3901 299.5829 -183266.1046 -148875.4405 299.9993 -83.8100 -52.2900 557521.0866 -5.3106 -5.0765 PRESSURE: 1689600 -15.9708 -41.209 -26.9146 -41.2089 -297.853 -41.9761 -26.9135 -41.9771 46.9651 GPRESSURE: 1689600 20.3388 -39.8671 -19.836 -17.7033 -275.275 -60.3736 -41.9799 -27.1727 94.1257 PRESSAVG: 1689600 -44.5455 -7.09534 -25.9849 -7.0953 -11.8314 -6.80777 -25.9848 -6.80765 113.128 GPRESSAVG: 1689600 -43.8727 -7.04804 -26.5192 -9.16392 -12.2397 -8.61638 -24.7064 -5.48433 113.245 TIMING: 1689600 CPU: 5027.03, 0.00296302/step Wall: 5027.03, 0.00296302/step, 2.72466 hours remaining, 205.859375 MB of memory in use. ENERGY: 1689600 766.4150 2074.9220 1958.2203 107.6910 -205718.4968 17543.9997 0.0000 0.0000 34407.1625 -148860.0864 300.4863 -183267.2488 -148759.4123 300.3943 -88.9528 -53.6037 556383.5043 18.9170 19.0442 PRESSURE: 1689800 0.490362 74.6999 -45.4361 74.7002 13.7656 -135.664 -45.434 -135.662 223.005 GPRESSURE: 1689800 67.6628 65.5657 -61.501 77.4445 30.7535 -159.018 -2.52686 -126.87 248.603 PRESSAVG: 1689800 -85.6822 -1.4483 -32.554 -1.44825 -15.9783 -27.0614 -32.5542 -27.0613 93.5412 GPRESSAVG: 1689800 -85.8881 -0.743258 -33.1027 -0.243406 -15.7922 -28.2957 -33.1854 -25.9396 94.0472 TIMING: 1689800 CPU: 5027.63, 0.00296981/step Wall: 5027.63, 0.00296981/step, 2.73074 hours remaining, 205.859375 MB of memory in use. ENERGY: 1689800 722.7442 2146.0340 1959.9912 123.3598 -205975.7007 17740.4353 0.0000 0.0000 34497.6133 -148785.5228 301.2762 -183283.1361 -148687.2769 300.4658 79.0868 115.6731 555798.9534 -2.7064 -2.5444 PRESSURE: 1690000 88.5915 108.782 16.6492 108.782 -354.578 -86.2554 16.6497 -86.2563 -38.3891 GPRESSURE: 1690000 108.947 5.94198 1.83031 162.568 -290.021 -134.475 23.3709 12.9051 -35.1854 PRESSAVG: 1690000 -49.0127 38.9088 53.5695 38.9089 -9.45586 -8.39187 53.5695 -8.39177 41.4457 GPRESSAVG: 1690000 -48.9815 38.9362 52.2675 37.6659 -9.60132 -6.51524 55.3318 -8.25621 41.6072 TIMING: 1690000 CPU: 5028.22, 0.00299392/step Wall: 5028.22, 0.00299392/step, 2.75274 hours remaining, 205.859375 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: 1690000 757.2563 2093.9795 1974.2105 131.2628 -205636.4584 17533.8759 0.0000 0.0000 34385.1598 -148760.7136 300.2942 -183145.8734 -148667.8553 300.2657 -101.4585 -72.0864 556783.8560 -5.6743 -5.6585 PRESSURE: 1690200 58.6342 -23.728 -152.703 -23.7286 -177.759 62.8634 -152.704 62.8638 -167.095 GPRESSURE: 1690200 66.9466 -3.11755 -185.208 -31.1797 -121.187 99.3804 -164.046 -14.4873 -139.902 PRESSAVG: 1690200 -51.2955 -29.3407 70.8424 -29.3407 36.8432 4.52527 70.8423 4.52531 -5.80639 GPRESSAVG: 1690200 -51.6661 -29.8145 72.4622 -29.2861 37.1143 2.71876 69.0888 4.24944 -5.68573 TIMING: 1690200 CPU: 5028.82, 0.00297558/step Wall: 5028.82, 0.00297558/step, 2.73572 hours remaining, 205.859375 MB of memory in use. ENERGY: 1690200 785.9790 2084.3291 1964.8837 116.8574 -205862.0408 17617.1630 0.0000 0.0000 34217.4506 -149075.3781 298.8295 -183292.8287 -148983.2066 300.1022 -95.4068 -64.7143 556554.1201 -6.7529 -6.7459 PRESSURE: 1690400 -227.615 -60.5976 -9.5708 -60.5991 -82.5702 50.2996 -9.57141 50.299 148.949 GPRESSURE: 1690400 -149.752 42.4258 67.2772 -64.5518 -47.6424 31.3481 -23.6107 68.0035 134.669 PRESSAVG: 1690400 -20.9403 32.9925 1.27545 32.9925 -18.2757 7.46253 1.27538 7.46256 88.9242 GPRESSAVG: 1690400 -20.0218 32.3985 1.74989 35.1965 -17.9661 9.42515 -0.686288 6.24792 87.7365 TIMING: 1690400 CPU: 5029.41, 0.00297108/step Wall: 5029.41, 0.00297108/step, 2.73141 hours remaining, 205.859375 MB of memory in use. ENERGY: 1690400 750.3551 2105.7720 1933.9523 122.5094 -205739.3554 17619.2377 0.0000 0.0000 34029.4598 -149178.0692 297.1877 -183207.5289 -149076.5158 298.7287 -53.7455 -20.9085 557080.0283 16.5694 16.5829 PRESSURE: 1690600 146.121 34.0795 27.4502 34.079 29.1854 -127.411 27.4498 -127.411 158.207 GPRESSURE: 1690600 187.998 26.6133 48.7646 -39.2884 28.5529 -86.9353 26.9441 -151.229 198.931 PRESSAVG: 1690600 -57.947 -14.5946 1.66001 -14.5946 50.2602 -70.8833 1.66 -70.8833 15.6833 GPRESSAVG: 1690600 -58.4437 -14.8075 0.239247 -16.9657 50.6791 -68.521 4.75927 -71.4747 16.0609 TIMING: 1690600 CPU: 5030.01, 0.00295826/step Wall: 5030.01, 0.00295826/step, 2.71946 hours remaining, 205.859375 MB of memory in use. ENERGY: 1690600 778.6338 2074.7188 1947.5729 109.4506 -206655.8001 18265.1183 0.0000 0.0000 34243.4631 -149236.8427 299.0567 -183480.3058 -149146.9500 298.4392 111.1712 138.4938 557599.0272 2.6655 2.7654 PRESSURE: 1690800 -45.3629 32.101 -199.132 32.0997 145.862 -178.747 -199.133 -178.748 -147.148 GPRESSURE: 1690800 15.9961 -8.62227 -261.758 24.7243 184.588 -147.499 -154.2 -258.91 -163.05 PRESSAVG: 1690800 -27.9853 -30.4949 18.9407 -30.495 65.8364 -2.72266 18.9406 -2.72277 -21.6229 GPRESSAVG: 1690800 -28.1091 -32.0735 19.0536 -27.6806 64.8557 -2.70059 18.3598 -4.41274 -21.129 TIMING: 1690800 CPU: 5030.6, 0.00297902/step Wall: 5030.6, 0.00297902/step, 2.73839 hours remaining, 205.859375 MB of memory in use. ENERGY: 1690800 735.1197 2058.2927 1964.9647 107.2232 -206207.3381 17888.2274 0.0000 0.0000 34193.0996 -149260.4108 298.6168 -183453.5104 -149159.3598 299.0201 -15.5498 12.5114 558078.9000 5.4094 5.2059 PRESSURE: 1691000 78.7007 133.739 41.9933 133.74 184.585 -36.8705 41.9937 -36.8697 136.94 GPRESSURE: 1691000 107.209 113.135 26.3158 165.811 208.557 -18.088 55.1305 -65.2072 196.61 PRESSAVG: 1691000 14.5844 -13.6032 -21.6989 -13.6031 23.399 -3.28878 -21.699 -3.28888 -57.5823 GPRESSAVG: 1691000 15.1881 -12.4487 -20.5129 -15.4114 24.541 -3.97145 -21.6999 -3.30801 -58.7173 TIMING: 1691000 CPU: 5031.2, 0.00297198/step Wall: 5031.2, 0.00297198/step, 2.73175 hours remaining, 205.859375 MB of memory in use. ENERGY: 1691000 690.6357 2047.1878 1992.9223 113.7528 -206189.7627 17849.4802 0.0000 0.0000 34224.9483 -149270.8357 298.8950 -183495.7840 -149176.6781 298.8741 133.4087 170.7921 558431.7913 -6.5329 -6.3294 PRESSURE: 1691200 -336.886 -15.5148 216.346 -15.5133 -51.6358 -68.3327 216.346 -68.3325 4.69451 GPRESSURE: 1691200 -252.764 30.801 204.145 -70.6772 -21.0071 -174.86 284.75 11.906 -25.4823 PRESSAVG: 1691200 16.1241 21.601 7.66743 21.601 -8.02466 -26.8881 7.66737 -26.8879 -24.1587 GPRESSAVG: 1691200 16.5383 21.9894 5.88555 22.1267 -10.2287 -28.4799 6.12054 -25.3115 -22.2538 TIMING: 1691200 CPU: 5031.79, 0.00296362/step Wall: 5031.79, 0.00296362/step, 2.7239 hours remaining, 205.859375 MB of memory in use. ENERGY: 1691200 742.1773 2065.0620 1941.8536 112.9525 -206119.3336 17682.0321 0.0000 0.0000 34329.7033 -149245.5529 299.8098 -183575.2562 -149152.3413 298.7030 -127.9425 -99.7511 557060.4746 -5.3531 -5.3147 PRESSURE: 1691400 -3.20533 -16.4279 -158.665 -16.4284 96.9204 -1.60538 -158.666 -1.60573 19.1863 GPRESSURE: 1691400 66.8085 -53.2652 -160.066 72.639 106.352 4.23516 -162.274 -12.7443 34.2139 PRESSAVG: 1691400 44.7173 17.7139 -7.67728 17.7139 -52.0937 -55.878 -7.67729 -55.878 47.4702 GPRESSAVG: 1691400 44.56 17.6624 -7.62138 16.8643 -50.9643 -56.0309 -6.37264 -57.3722 46.9222 TIMING: 1691400 CPU: 5032.39, 0.00298542/step Wall: 5032.39, 0.00298542/step, 2.74377 hours remaining, 205.859375 MB of memory in use. ENERGY: 1691400 764.7499 2073.9626 1956.2622 115.3674 -206301.4030 18044.8751 0.0000 0.0000 34192.1172 -149154.0687 298.6083 -183346.1859 -149065.2293 299.3453 37.6338 69.1249 557091.7350 13.3646 13.5060 PRESSURE: 1691600 15.7767 104.446 15.1028 104.446 -70.8689 -15.9613 15.1039 -15.9613 253.444 GPRESSURE: 1691600 68.6719 -23.5112 83.3599 171.615 -74.011 4.17815 -43.6439 -73.8837 308.685 PRESSAVG: 1691600 16.2291 3.08446 -8.10331 3.08446 -14.8347 -56.4287 -8.10331 -56.4287 -3.21708 GPRESSAVG: 1691600 16.7162 4.48245 -7.66394 2.29412 -15.6195 -57.9091 -7.62846 -55.3936 -3.04842 TIMING: 1691600 CPU: 5032.98, 0.00298947/step Wall: 5032.98, 0.00298947/step, 2.74733 hours remaining, 205.859375 MB of memory in use. ENERGY: 1691600 730.6463 2106.3686 1931.6191 124.1428 -206035.6089 17819.8824 0.0000 0.0000 34209.2553 -149113.6944 298.7579 -183322.9498 -149021.2839 299.7026 66.1174 101.1154 556544.6954 -0.6075 -0.6506 PRESSURE: 1691800 177.292 -24.3069 39.6231 -24.3079 106.593 28.9337 39.6231 28.9323 333.76 GPRESSURE: 1691800 189.136 -70.7505 30.5162 97.1274 179.831 34.1057 26.439 17.5554 342.54 PRESSAVG: 1691800 -0.492154 21.04 -46.487 21.04 -64.6053 -0.617665 -46.487 -0.617683 74.8576 GPRESSAVG: 1691800 -1.14509 19.0515 -45.3425 24.1594 -64.6049 2.17382 -48.1677 -2.32175 75.1535 TIMING: 1691800 CPU: 5033.58, 0.00298347/step Wall: 5033.58, 0.00298347/step, 2.74164 hours remaining, 205.859375 MB of memory in use. ENERGY: 1691800 725.3750 2132.6516 1950.2681 109.2897 -206644.1679 18214.4762 0.0000 0.0000 34313.6688 -149198.4385 299.6698 -183512.1073 -149103.8851 299.6045 205.8817 237.1693 556415.5602 3.2534 3.1345 PRESSURE: 1692000 -101.407 73.7662 -57.2104 73.7658 -166.099 15.0709 -57.2109 15.0719 66.7776 GPRESSURE: 1692000 -53.3753 155.305 -30.7991 5.59857 -97.4061 -11.9024 -71.2777 1.18446 51.037 PRESSAVG: 1692000 -76.1119 14.2942 10.3426 14.2943 23.3389 44.2231 10.3426 44.2231 22.6352 GPRESSAVG: 1692000 -76.6819 16.6383 9.81803 10.3737 23.6472 41.7013 9.86553 46.6786 22.2931 TIMING: 1692000 CPU: 5034.18, 0.00300069/step Wall: 5034.18, 0.00300069/step, 2.7573 hours remaining, 205.859375 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: 1692000 751.4242 2109.9533 1952.4419 108.5044 -206181.7580 17744.4665 0.0000 0.0000 34246.1705 -149268.7973 299.0803 -183514.9678 -149172.3840 299.2183 -66.9095 -33.2481 557598.9739 -10.0459 -10.2472 PRESSURE: 1692200 -152.38 -195.773 29.156 -195.774 -141.596 -34.6033 29.157 -34.6033 -114.065 GPRESSURE: 1692200 -175.174 -147.997 -3.71344 -132.97 -67.27 -57.4079 12.0579 1.85117 -56.8645 PRESSAVG: 1692200 -68.268 -36.2234 -4.17904 -36.2234 6.00265 8.33693 -4.17906 8.33695 24.2645 GPRESSAVG: 1692200 -69.5279 -36.3567 -3.96561 -34.8246 6.26184 8.37734 -3.47247 9.04084 25.0521 TIMING: 1692200 CPU: 5034.78, 0.00298241/step Wall: 5034.78, 0.00298241/step, 2.74034 hours remaining, 205.859375 MB of memory in use. ENERGY: 1692200 768.0436 2001.5573 1959.4109 118.4812 -206029.4673 17653.7541 0.0000 0.0000 34304.7197 -149223.5004 299.5916 -183528.2201 -149126.2618 298.6540 -136.0135 -99.7695 558994.9528 -12.6670 -12.7380 LDB: ============= START OF LOAD BALANCING ============== 5038.21 LDB: ============== END OF LOAD BALANCING =============== 5038.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5038.21 LDB: ============= START OF LOAD BALANCING ============== 5038.51 LDB: Largest compute 4847 load 0.023907 is 20.2% of average load 0.118109 LDB: Average compute 0.001709 is 1.4% of average load 0.118109 LDB: TIME 5038.51 LOAD: AVG 0.118109 MAX 0.200503 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.172 MB LDB: TIME 5038.51 LOAD: AVG 0.118109 MAX 0.200503 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.242 MB LDB: TIME 5038.51 LOAD: AVG 0.118109 MAX 0.200503 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5038.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5038.52 PRESSURE: 1692400 -61.4147 33.2154 -85.7948 33.2159 48.3825 -32.979 -85.795 -32.9803 200.118 GPRESSURE: 1692400 -31.3551 85.0258 -173.911 -106.395 65.0161 -60.516 -100.06 -42.7969 238.482 PRESSAVG: 1692400 -9.52692 -64.3133 3.56092 -64.3134 37.1314 -13.2825 3.56089 -13.2824 -22.5614 GPRESSAVG: 1692400 -8.39042 -65.8003 1.84759 -64.1737 37.5622 -11.2186 4.46629 -15.1988 -23.5192 TIMING: 1692400 CPU: 5035.39, 0.00305662/step Wall: 5035.39, 0.00305662/step, 2.80835 hours remaining, 206.367188 MB of memory in use. ENERGY: 1692400 709.3422 2052.4745 1960.9361 104.0289 -205994.2724 17726.2719 0.0000 0.0000 34200.3652 -149240.8536 298.6803 -183441.2188 -149147.8533 299.3063 62.3621 90.7142 557995.3344 1.6810 1.8842 PRESSURE: 1692600 31.4951 -42.4285 -69.984 -42.4287 -54.1201 -2.05548 -69.9834 -2.05611 213.879 GPRESSURE: 1692600 67.9264 -119.414 -53.2586 19.1421 -13.9302 22.6437 -73.1432 -47.5757 232.703 PRESSAVG: 1692600 33.1553 -39.2436 48.9094 -39.2436 22.3017 -3.98958 48.9094 -3.98956 -45.1803 GPRESSAVG: 1692600 33.4774 -38.3642 48.013 -40.1054 21.769 -5.45297 51.222 -2.96561 -45.0242 TIMING: 1692600 CPU: 5035.98, 0.00296466/step Wall: 5035.98, 0.00296466/step, 2.7237 hours remaining, 206.367188 MB of memory in use. ENERGY: 1692600 779.4152 2052.3402 1970.5698 102.4184 -206456.2846 18064.8126 0.0000 0.0000 34143.4043 -149343.3240 298.1828 -183486.7283 -149249.6403 299.3529 63.7512 95.5664 557165.5912 3.4256 3.4074 PRESSURE: 1692800 258.222 170.166 88.1648 170.166 98.7857 -19.9933 88.1653 -19.9925 86.7119 GPRESSURE: 1692800 274.42 197.346 170.695 167.871 119.523 4.78688 38.5011 -43.6806 146.377 PRESSAVG: 1692800 33.397 26.6172 9.84406 26.6174 -7.46005 -27.1464 9.84413 -27.1466 1.17465 GPRESSAVG: 1692800 33.8876 28.687 10.301 27.324 -8.48713 -28.7493 8.95605 -27.8069 1.93778 TIMING: 1692800 CPU: 5036.58, 0.00298271/step Wall: 5036.58, 0.00298271/step, 2.74011 hours remaining, 206.367188 MB of memory in use. ENERGY: 1692800 728.6445 2025.9723 1958.5878 111.9013 -206267.9359 17859.1487 0.0000 0.0000 34243.0658 -149340.6155 299.0532 -183583.6813 -149243.3247 298.7827 147.9066 180.1064 558061.8764 9.0372 9.1128 PRESSURE: 1693000 360.04 -4.14572 -73.7999 -4.14546 -402.326 -155.473 -73.8001 -155.474 -19.6066 GPRESSURE: 1693000 346.064 -17.4813 -126.552 13.7429 -321.719 -184.645 -20.4955 -220.273 15.7624 PRESSAVG: 1693000 51.6582 -0.859527 22.3904 -0.859526 -68.1583 -25.2281 22.3904 -25.2281 26.561 GPRESSAVG: 1693000 51.1904 -3.81416 22.1983 -0.127845 -66.4884 -24.1726 22.5645 -22.3552 26.4971 TIMING: 1693000 CPU: 5037.17, 0.00296431/step Wall: 5037.17, 0.00296431/step, 2.72305 hours remaining, 206.367188 MB of memory in use. ENERGY: 1693000 738.3919 2038.5263 1952.4920 113.7425 -206028.1377 17671.3013 0.0000 0.0000 34241.0997 -149272.5839 299.0360 -183513.6837 -149178.7735 299.3387 -20.6310 13.3690 558022.4330 3.3536 3.7330 PRESSURE: 1693200 -40.7769 143.718 32.831 143.717 -93.6911 47.4831 32.8307 47.4831 154.828 GPRESSURE: 1693200 60.0851 160.492 162.974 168.677 -94.6583 -1.48764 67.9034 49.5138 163.907 PRESSAVG: 1693200 86.8387 20.8068 16.1165 20.8067 -49.8934 -55.1041 16.1164 -55.1042 -30.9506 GPRESSAVG: 1693200 87.5031 22.2734 16.477 19.4198 -50.515 -55.4688 15.5084 -58.0355 -30.9125 TIMING: 1693200 CPU: 5037.77, 0.00299541/step Wall: 5037.77, 0.00299541/step, 2.75145 hours remaining, 206.367188 MB of memory in use. ENERGY: 1693200 749.7575 2117.3840 1962.4637 122.9798 -206142.8075 17834.8140 0.0000 0.0000 34307.5148 -149047.8937 299.6161 -183355.4085 -148956.0511 298.9582 6.7867 43.1112 557940.8578 1.9982 2.0252 PRESSURE: 1693400 111.093 -92.5969 -137.868 -92.5975 -43.8622 -169.791 -137.868 -169.789 -11.2484 GPRESSURE: 1693400 96.2705 -102.067 -140.509 -138.732 -17.0218 -112.941 -115.402 -238.055 68.653 PRESSAVG: 1693400 7.53922 -15.4943 8.6773 -15.4943 -38.3716 42.1047 8.6774 42.1047 -13.0996 GPRESSAVG: 1693400 7.51183 -17.0971 9.93041 -16.1622 -38.2922 43.044 7.61705 40.8956 -13.2137 TIMING: 1693400 CPU: 5038.37, 0.0029877/step Wall: 5038.37, 0.0029877/step, 2.74421 hours remaining, 206.367188 MB of memory in use. ENERGY: 1693400 739.1838 2113.2874 1923.2830 110.8229 -206210.8610 17927.5315 0.0000 0.0000 34244.9131 -149151.8394 299.0693 -183396.7525 -149060.3321 299.4240 18.6609 49.3006 557439.7614 -14.6440 -14.6647 PRESSURE: 1693600 -235.852 147.831 -83.1083 147.831 199.544 -50.0663 -83.1085 -50.0651 196.241 GPRESSURE: 1693600 -236.321 155.449 -84.7667 142.289 232.18 -41.9462 -82.2835 35.6142 257.375 PRESSAVG: 1693600 -72.3968 24.2579 73.7413 24.2579 39.9188 21.8092 73.7414 21.8093 39.9685 GPRESSAVG: 1693600 -72.7014 24.6952 72.6881 23.3267 40.5817 22.4692 73.5419 23.3285 39.5798 TIMING: 1693600 CPU: 5038.97, 0.0029996/step Wall: 5038.97, 0.0029996/step, 2.75496 hours remaining, 206.367188 MB of memory in use. ENERGY: 1693600 757.1765 2054.7508 1938.8800 108.7487 -206039.4742 17762.2476 0.0000 0.0000 34157.1769 -149260.4936 298.3031 -183417.6706 -149163.1878 299.4151 53.3111 84.4114 557479.1297 2.4968 2.4867 PRESSURE: 1693800 68.3398 181.565 -34.688 181.566 -260.846 -1.99572 -34.6885 -1.99403 -37.7843 GPRESSURE: 1693800 106.731 205.078 135.182 99.9171 -254.482 -97.876 -91.251 -0.210023 38.8646 PRESSAVG: 1693800 -1.40837 38.015 0.580797 38.015 -48.7086 -7.66819 0.580778 -7.66816 64.3205 GPRESSAVG: 1693800 -2.11164 40.0858 3.78192 36.9016 -49.4529 -7.78046 1.19289 -9.4543 66.024 TIMING: 1693800 CPU: 5039.57, 0.00300228/step Wall: 5039.57, 0.00300228/step, 2.75726 hours remaining, 206.367188 MB of memory in use. ENERGY: 1693800 694.7383 2101.4097 1919.6506 109.4527 -206046.6139 17583.8632 0.0000 0.0000 34256.9594 -149380.5399 299.1745 -183637.4993 -149280.7060 299.0618 -76.7636 -36.2952 557866.9526 4.7345 4.8198 PRESSURE: 1694000 -89.5644 -34.2036 130.905 -34.202 -277.987 4.9292 130.904 4.92952 -301.281 GPRESSURE: 1694000 -39.0824 -19.3588 110.695 -60.8261 -270.605 -27.073 146.261 -33.4659 -245.823 PRESSAVG: 1694000 -18.4182 12.7681 -16.7082 12.7681 19.1376 -37.2708 -16.7082 -37.2707 10.1459 GPRESSAVG: 1694000 -18.8932 11.5139 -18.7934 15.0208 19.5906 -37.0777 -14.7743 -35.0607 9.79718 TIMING: 1694000 CPU: 5040.17, 0.0030152/step Wall: 5040.17, 0.0030152/step, 2.76896 hours remaining, 206.367188 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: 1694000 775.2252 2071.0326 1943.3339 106.5807 -205884.6595 17472.4020 0.0000 0.0000 34195.0208 -149321.0643 298.6336 -183516.0851 -149225.3144 298.5165 -222.9442 -185.1702 556942.5620 3.6218 3.4982 PRESSURE: 1694200 97.1045 89.7052 9.00402 89.7055 236.312 -10.5422 9.00288 -10.5428 -134.442 GPRESSURE: 1694200 164.088 170.455 106.265 27.2499 233.892 23.6269 -49.6687 108.786 -117.934 PRESSAVG: 1694200 -37.3818 -5.62231 53.7033 -5.62228 54.067 -45.3159 53.7032 -45.3157 3.90769 GPRESSAVG: 1694200 -36.6433 -7.22785 55.0138 -4.43512 54.5399 -46.3041 49.5604 -45.313 2.67926 TIMING: 1694200 CPU: 5040.77, 0.00297323/step Wall: 5040.77, 0.00297323/step, 2.73025 hours remaining, 206.367188 MB of memory in use. ENERGY: 1694200 694.4837 2045.6372 1934.0207 110.2517 -206098.0518 17821.6585 0.0000 0.0000 34119.5578 -149372.4421 297.9746 -183491.9999 -149269.6224 298.7417 66.3248 93.3485 558197.9055 6.8643 6.8586 PRESSURE: 1694400 -98.1384 61.7579 185.816 61.7585 -107.157 -75.0716 185.817 -75.0716 -332.096 GPRESSURE: 1694400 -55.594 60.7606 140.62 171.627 -113.317 -12.5519 244.246 13.2393 -259.714 PRESSAVG: 1694400 21.919 9.41028 42.8225 9.41033 1.27333 10.7129 42.8225 10.7129 -37.0653 GPRESSAVG: 1694400 21.2847 9.54853 40.0191 10.8627 1.73802 11.1531 45.2678 10.1847 -36.5439 TIMING: 1694400 CPU: 5041.36, 0.00296616/step Wall: 5041.36, 0.00296616/step, 2.7236 hours remaining, 206.367188 MB of memory in use. ENERGY: 1694400 729.4553 2030.3545 1901.6143 112.9233 -206191.3056 17614.5106 0.0000 0.0000 34463.2713 -149339.1763 300.9763 -183802.4476 -149241.4672 298.9569 -179.1304 -142.8750 558086.4836 -4.6243 -4.5071 PRESSURE: 1694600 -65.7845 41.5929 34.8544 41.592 -90.9981 10.0627 34.8553 10.0615 38.5126 GPRESSURE: 1694600 3.24022 -25.827 -2.3032 60.1897 8.70335 25.3618 113.219 54.4054 -36.0561 PRESSAVG: 1694600 -5.58214 -4.38436 19.2516 -4.38439 27.8596 -20.9077 19.2516 -20.9076 -7.92988 GPRESSAVG: 1694600 -4.96064 -1.02318 19.7686 -6.52219 27.814 -20.2464 20.5369 -21.2211 -8.33603 TIMING: 1694600 CPU: 5041.95, 0.00296479/step Wall: 5041.95, 0.00296479/step, 2.72217 hours remaining, 206.367188 MB of memory in use. ENERGY: 1694600 759.7231 2131.7576 1961.3886 112.9939 -206144.8342 17745.6408 0.0000 0.0000 34212.3913 -149220.9389 298.7853 -183433.3303 -149122.6210 299.4423 -39.4233 -8.0375 557112.0967 4.7825 4.8391 PRESSURE: 1694800 -61.6942 -122.368 -105.368 -122.368 9.39915 90.6256 -105.367 90.6249 38.9938 GPRESSURE: 1694800 -14.1851 -95.6123 -135.02 -114.099 14.4624 105.828 -17.6317 192.287 67.7337 PRESSAVG: 1694800 95.8896 -7.71666 15.8845 -7.71666 -39.7016 11.9198 15.8845 11.9196 -26.1007 GPRESSAVG: 1694800 96.2844 -10.1258 15.8633 -7.16559 -40.2308 11.3489 15.1352 12.0804 -26.0905 TIMING: 1694800 CPU: 5042.55, 0.00297971/step Wall: 5042.55, 0.00297971/step, 2.73571 hours remaining, 206.367188 MB of memory in use. ENERGY: 1694800 769.1724 2009.6943 1934.2741 118.2105 -205823.2338 17678.6454 0.0000 0.0000 34234.0308 -149079.2063 298.9743 -183313.2371 -148981.9635 299.7860 -4.4338 22.6704 557125.3655 10.0291 9.9877 PRESSURE: 1695000 -133.382 27.6201 -19.1387 27.6204 210.938 -151.513 -19.1388 -151.511 39.5432 GPRESSURE: 1695000 -113.677 60.9074 -25.346 94.6256 244.77 -177.487 -51.815 -106.666 68.2053 PRESSAVG: 1695000 3.97888 35.9679 -30.8678 35.9678 -12.631 -14.4447 -30.8677 -14.4447 36.5105 GPRESSAVG: 1695000 3.26466 35.5212 -30.9517 34.8494 -12.3598 -13.8546 -30.5049 -14.5447 36.8232 TIMING: 1695000 CPU: 5043.14, 0.00296665/step Wall: 5043.14, 0.00296665/step, 2.72355 hours remaining, 206.367188 MB of memory in use. ENERGY: 1695000 739.6255 2062.2695 1940.5208 124.7311 -206029.7511 17726.3136 0.0000 0.0000 34186.4486 -149249.8421 298.5588 -183436.2907 -149157.8204 299.3912 39.0329 66.4330 556482.2705 9.2861 9.2427 PRESSURE: 1695200 -154.548 56.3622 -40.253 56.3622 51.9341 69.3074 -40.2532 69.3077 -197.011 GPRESSURE: 1695200 -140.826 4.81001 -89.6932 30.9515 102.023 36.6771 -22.4219 123.025 -154.848 PRESSAVG: 1695200 1.58861 -28.1606 -9.6017 -28.1606 24.6046 -24.9222 -9.60168 -24.9222 7.34813 GPRESSAVG: 1695200 1.66048 -26.4169 -11.0562 -27.6049 24.4815 -23.4966 -9.46643 -26.8458 7.52123 TIMING: 1695200 CPU: 5043.74, 0.00298095/step Wall: 5043.74, 0.00298095/step, 2.73651 hours remaining, 206.367188 MB of memory in use. ENERGY: 1695200 773.6514 2065.1254 1931.7729 119.4360 -206070.1347 17817.4898 0.0000 0.0000 34036.4401 -149326.2191 297.2487 -183362.6592 -149228.4768 298.8454 -99.8748 -64.5501 557786.6258 11.1804 11.2211 PRESSURE: 1695400 -60.7475 -121.097 -44.0321 -121.097 -30.5823 -93.9468 -44.0321 -93.944 -35.4739 GPRESSURE: 1695400 -22.8767 -81.6671 -26.3112 -131.553 -12.2934 -140.791 -128.177 -97.4844 9.63439 PRESSAVG: 1695400 7.49809 -16.3824 8.58121 -16.3825 -26.8212 -57.1844 8.58119 -57.1843 25.0673 GPRESSAVG: 1695400 7.89183 -17.1631 10.5021 -15.6478 -26.5694 -59.3308 9.19421 -53.3493 25.1211 TIMING: 1695400 CPU: 5044.33, 0.00296672/step Wall: 5044.33, 0.00296672/step, 2.72329 hours remaining, 206.367188 MB of memory in use. ENERGY: 1695400 790.3978 2070.8030 1943.0625 115.1202 -206225.7241 17974.9104 0.0000 0.0000 33983.5419 -149347.8883 296.7867 -183331.4301 -149256.4383 298.9348 -42.2679 -8.5119 558959.7198 1.9147 2.1479 PRESSURE: 1695600 -11.7852 -43.7406 24.6455 -43.742 84.0678 -39.086 24.646 -39.0853 9.96235 GPRESSURE: 1695600 9.00479 -25.8154 13.6803 102.193 90.3742 11.3718 -16.1848 -57.6324 76.6163 PRESSAVG: 1695600 17.7601 39.363 3.99732 39.363 -75.0023 -15.8386 3.99746 -15.8387 62.6892 GPRESSAVG: 1695600 18.3641 39.299 2.51653 38.1297 -74.9278 -14.6955 6.33802 -17.4355 62.4003 TIMING: 1695600 CPU: 5044.92, 0.00297154/step Wall: 5044.92, 0.00297154/step, 2.72755 hours remaining, 206.367188 MB of memory in use. ENERGY: 1695600 784.5829 2040.5015 1931.8406 114.0352 -206409.9874 18002.2855 0.0000 0.0000 34318.8173 -149217.9244 299.7148 -183536.7417 -149115.5216 298.6370 27.4150 58.6651 557094.1436 1.8157 1.9455 PRESSURE: 1695800 -110.503 145.497 59.8621 145.498 -122.047 -214.003 59.8604 -214.004 -219.407 GPRESSURE: 1695800 -44.8769 92.582 98.9186 187.099 -122.223 -264.887 2.57432 -219.94 -191.862 PRESSAVG: 1695800 -67.9263 -9.96243 7.93298 -9.96236 29.6928 -2.80409 7.9329 -2.80415 -6.80664 GPRESSAVG: 1695800 -68.1529 -10.342 9.72509 -9.86689 30.1413 -3.7166 5.65069 -4.03972 -7.13606 TIMING: 1695800 CPU: 5045.52, 0.00296579/step Wall: 5045.52, 0.00296579/step, 2.7221 hours remaining, 206.367188 MB of memory in use. ENERGY: 1695800 768.0863 2111.0148 1923.3969 107.8949 -206146.9788 17797.8385 0.0000 0.0000 34155.6984 -149283.0491 298.2902 -183438.7475 -149176.0414 300.1234 -150.6523 -119.6539 558824.0184 -15.0134 -15.0492 PRESSURE: 1696000 109.418 -8.00007 -108.929 -7.99985 87.5424 -104.421 -108.929 -104.421 90.1723 GPRESSURE: 1696000 145.768 -21.6481 -47.636 -24.9032 147.571 -113.182 -141.248 -4.34475 95.2905 PRESSAVG: 1696000 -17.4768 17.8335 -0.40831 17.8336 90.3225 -4.82207 -0.408348 -4.82206 -54.534 GPRESSAVG: 1696000 -17.7883 17.0379 -1.04035 17.4087 90.2288 -4.43853 0.0842065 -3.76761 -54.024 TIMING: 1696000 CPU: 5046.11, 0.00296611/step Wall: 5046.11, 0.00296611/step, 2.72223 hours remaining, 206.367188 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: 1696000 722.7031 2061.2378 1923.0631 113.7214 -206439.9869 18020.1151 0.0000 0.0000 34325.3872 -149273.7592 299.7721 -183599.1464 -149176.3792 299.4330 95.7110 129.5434 556872.0754 6.1039 6.1388 PRESSURE: 1696200 4.32601 -137.949 -38.0421 -137.949 3.58508 -37.8957 -38.0405 -37.8953 14.1146 GPRESSURE: 1696200 33.4896 -206.681 48.4244 -44.5512 -2.88337 -47.6727 -28.4452 -148.233 82.6642 PRESSAVG: 1696200 -37.9117 43.951 -4.05236 43.9509 68.9139 36.8276 -4.05242 36.8276 -0.758499 GPRESSAVG: 1696200 -38.6098 42.5256 -2.79309 45.7317 67.5343 37.5618 -3.21853 37.0823 0.651599 TIMING: 1696200 CPU: 5046.7, 0.00294349/step Wall: 5046.7, 0.00294349/step, 2.70131 hours remaining, 206.367188 MB of memory in use. ENERGY: 1696200 724.3449 2108.0515 1949.4688 114.4801 -206219.8280 17834.6192 0.0000 0.0000 34171.3450 -149317.5184 298.4269 -183488.8634 -149219.5414 299.9369 7.3419 37.7568 557375.6279 10.0812 9.8587 LDB: ============= START OF LOAD BALANCING ============== 5050.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5050.12 LDB: =============== DONE WITH MIGRATION ================ 5050.13 LDB: ============= START OF LOAD BALANCING ============== 5050.42 LDB: Largest compute 4821 load 0.024038 is 20.4% of average load 0.118113 LDB: Average compute 0.001709 is 1.4% of average load 0.118113 LDB: TIME 5050.42 LOAD: AVG 0.118113 MAX 0.197563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.887 MB LDB: TIME 5050.42 LOAD: AVG 0.118113 MAX 0.197563 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.891 MB LDB: TIME 5050.42 LOAD: AVG 0.118113 MAX 0.197563 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.891 MB LDB: ============== END OF LOAD BALANCING =============== 5050.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5050.43 PRESSURE: 1696400 35.5394 20.1073 1.88924 20.1066 -8.14789 164.375 1.88814 164.374 -23.3646 GPRESSURE: 1696400 84.4905 -86.8386 3.62215 155.634 56.0487 167.626 -44.1085 101.094 -48.423 PRESSAVG: 1696400 -24.5447 6.18702 -1.89534 6.18704 74.5031 -23.5774 -1.89534 -23.5775 -30.5923 GPRESSAVG: 1696400 -23.8321 8.98059 -2.0579 2.35856 74.7932 -23.6741 -2.85199 -24.9672 -31.6407 TIMING: 1696400 CPU: 5047.3, 0.00299518/step Wall: 5047.3, 0.00299518/step, 2.74858 hours remaining, 206.378906 MB of memory in use. ENERGY: 1696400 773.0696 2099.6647 1917.1083 113.4730 -206897.1923 18076.3898 0.0000 0.0000 34528.5617 -149388.9252 301.5465 -183917.4869 -149291.5427 298.8292 1.3423 30.7054 556443.6572 6.4554 6.4401 PRESSURE: 1696600 122.135 14.069 53.6235 14.069 106.932 -120.856 53.6226 -120.854 -131.194 GPRESSURE: 1696600 113.617 -2.30731 60.6871 -6.9051 169.873 -78.0152 77.564 -43.4677 -89.5663 PRESSAVG: 1696600 9.21861 22.2152 -15.4086 22.2151 14.3618 7.15513 -15.4086 7.1551 -63.8971 GPRESSAVG: 1696600 8.11774 19.1151 -15.2035 23.4185 15.2056 4.35949 -10.422 10.7062 -63.4587 TIMING: 1696600 CPU: 5047.89, 0.00295966/step Wall: 5047.89, 0.00295966/step, 2.71582 hours remaining, 206.378906 MB of memory in use. ENERGY: 1696600 763.1304 2044.3325 1956.5347 119.3729 -206517.0141 18005.3526 0.0000 0.0000 34149.5557 -149478.7353 298.2366 -183628.2910 -149383.9769 298.9367 32.6241 64.6410 558121.2876 -13.4389 -13.3784 PRESSURE: 1696800 222.309 -35.1666 71.3376 -35.1678 15.23 -69.3212 71.3372 -69.3214 13.7693 GPRESSURE: 1696800 230.297 24.7497 108.322 -145.808 53.0312 -97.8578 27.7717 60.6787 58.426 PRESSAVG: 1696800 4.37087 -11.6007 4.31829 -11.6007 20.2874 17.1734 4.31832 17.1733 -22.6737 GPRESSAVG: 1696800 4.14992 -12.2864 4.16054 -10.1649 19.5976 18.2635 2.40222 15.213 -21.3893 TIMING: 1696800 CPU: 5048.48, 0.00295678/step Wall: 5048.48, 0.00295678/step, 2.71301 hours remaining, 206.378906 MB of memory in use. ENERGY: 1696800 744.1731 2091.5902 1925.8558 116.6852 -206580.6375 17929.2103 0.0000 0.0000 34235.9649 -149537.1580 298.9912 -183773.1229 -149442.3695 298.5859 83.7694 113.9179 556795.7044 0.6615 0.7861 PRESSURE: 1697000 -2.47608 -64.6391 -69.5002 -64.6402 -27.601 30.9688 -69.4998 30.9701 -187.063 GPRESSURE: 1697000 31.2272 -111.985 -125.22 -75.4632 -0.957957 45.4583 -45.9528 53.647 -153.668 PRESSAVG: 1697000 -53.5603 -1.00026 -4.5996 -1.00024 -7.8102 7.49265 -4.59962 7.49257 31.8354 GPRESSAVG: 1697000 -52.0217 1.09563 -4.91386 -1.76756 -7.98868 7.83835 -4.76511 6.91968 30.0927 TIMING: 1697000 CPU: 5049.07, 0.00295385/step Wall: 5049.07, 0.00295385/step, 2.71015 hours remaining, 206.378906 MB of memory in use. ENERGY: 1697000 740.8327 2063.0429 1933.6142 111.4542 -206110.3718 17810.1918 0.0000 0.0000 34136.7880 -149314.4479 298.1251 -183451.2359 -149212.5492 298.4059 -72.3801 -41.1331 558930.4384 -9.8450 -9.9726 PRESSURE: 1697200 -20.0053 -202.972 -159.725 -202.971 -92.423 72.1122 -159.725 72.1104 -14.4632 GPRESSURE: 1697200 22.554 -186.79 -271.26 -202.155 -114.731 130.905 -121.069 35.641 68.1825 PRESSAVG: 1697200 50.757 -13.2355 -15.6498 -13.2354 -27.7889 -9.86431 -15.6498 -9.86437 -30.288 GPRESSAVG: 1697200 50.4619 -12.9678 -15.3237 -14.2132 -27.2654 -9.29541 -18.3984 -9.38655 -29.9248 TIMING: 1697200 CPU: 5049.66, 0.00294416/step Wall: 5049.66, 0.00294416/step, 2.7011 hours remaining, 206.378906 MB of memory in use. ENERGY: 1697200 742.1410 2083.6745 1936.4322 115.2319 -206327.4654 17826.2358 0.0000 0.0000 34428.4532 -149195.2968 300.6722 -183623.7500 -149099.9191 299.6590 -42.2971 -7.9982 558351.2547 -2.4400 -2.2428 PRESSURE: 1697400 23.6462 56.7552 -94.5509 56.7546 -197.378 137.82 -94.5507 137.819 -49.2497 GPRESSURE: 1697400 53.5938 55.5286 -125.659 37.8888 -176.866 185.912 33.3081 64.2453 -21.2453 PRESSAVG: 1697400 -0.360025 -20.8623 55.057 -20.8624 -17.8536 14.9405 55.0571 14.9403 23.3808 GPRESSAVG: 1697400 -0.243525 -19.2892 55.9032 -20.806 -18.4697 14.7258 55.8695 15.2225 23.636 TIMING: 1697400 CPU: 5050.25, 0.00293987/step Wall: 5050.25, 0.00293987/step, 2.697 hours remaining, 206.378906 MB of memory in use. ENERGY: 1697400 755.5734 2112.4306 1940.1740 104.9046 -206144.6095 17745.0398 0.0000 0.0000 34194.6996 -149291.7876 298.6308 -183486.4872 -149195.5902 299.9131 -74.3273 -48.1726 559989.1517 1.7224 1.6409 PRESSURE: 1697600 89.2547 72.0681 -45.5355 72.069 28.9294 54.8069 -45.5337 54.8083 260.096 GPRESSURE: 1697600 89.7161 129.875 30.4698 -45.5423 85.4953 117.743 -33.4545 79.0977 279.18 PRESSAVG: 1697600 -1.74083 -11.5108 6.41712 -11.5108 -18.1224 45.1187 6.41718 45.1185 18.2568 GPRESSAVG: 1697600 -2.86809 -12.0406 5.28406 -10.6604 -17.5317 46.7424 7.21785 43.8545 18.5727 TIMING: 1697600 CPU: 5050.84, 0.00297084/step Wall: 5050.84, 0.00297084/step, 2.72525 hours remaining, 206.378906 MB of memory in use. ENERGY: 1697600 767.2820 2110.7715 1932.5861 118.0862 -206484.6818 18126.1756 0.0000 0.0000 34112.9725 -149316.8078 297.9171 -183429.7802 -149227.6940 298.8415 126.0933 151.4637 559203.5315 -0.5355 -0.6091 PRESSURE: 1697800 -170.5 -118.506 122.173 -118.506 -0.753218 54.12 122.174 54.1187 -22.7627 GPRESSURE: 1697800 -140.482 -245.96 194.77 -40.478 77.1309 59.5509 133.722 -38.4903 -33.5076 PRESSAVG: 1697800 27.2463 21.1814 70.2522 21.1814 -46.8464 15.7157 70.2522 15.7157 22.527 GPRESSAVG: 1697800 28.6783 23.1901 71.7678 20.9451 -46.8647 14.4204 69.7632 16.4868 20.7983 TIMING: 1697800 CPU: 5051.44, 0.00296434/step Wall: 5051.44, 0.00296434/step, 2.71912 hours remaining, 206.378906 MB of memory in use. ENERGY: 1697800 754.7581 2142.2491 1931.9420 119.1847 -206033.5370 17700.5767 0.0000 0.0000 34057.2334 -149327.5930 297.4303 -183384.8264 -149229.3647 299.3182 -64.6721 -32.2862 558062.3745 0.9756 0.8706 PRESSURE: 1698000 41.8486 -254.612 -70.7428 -254.611 -338.681 -113.451 -70.7431 -113.449 22.6594 GPRESSURE: 1698000 68.3771 -270.769 -67.2013 -212.155 -306.648 -65.9568 -173.222 -129.037 54.9074 PRESSAVG: 1698000 -1.58718 17.9064 -3.81607 17.9064 35.5697 -35.7811 -3.81608 -35.7813 -37.9023 GPRESSAVG: 1698000 -2.93958 15.1293 -4.61957 19.9647 35.2062 -36.0034 -3.37192 -36.1229 -36.3433 TIMING: 1698000 CPU: 5052.03, 0.00295447/step Wall: 5052.03, 0.00295447/step, 2.7099 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: 1698000 748.4427 2052.1898 1917.0595 109.3139 -205899.5737 17743.8651 0.0000 0.0000 34158.4174 -149170.2853 298.3140 -183328.7027 -149070.5570 298.8035 -91.3910 -61.1210 558881.8306 -1.3066 -1.3589 PRESSURE: 1698200 57.966 -104.842 -10.2361 -104.843 -84.3025 159.258 -10.2363 159.258 48.9073 GPRESSURE: 1698200 93.5428 -75.0831 13.278 -192.211 -76.1068 218.585 4.11186 210.111 87.7961 PRESSAVG: 1698200 12.5182 23.559 22.292 23.559 -31.0794 -14.6418 22.292 -14.6419 71.9119 GPRESSAVG: 1698200 13.236 24.8426 24.5289 21.6242 -31.1409 -13.0716 21.6454 -16.0187 71.0673 TIMING: 1698200 CPU: 5052.62, 0.00295219/step Wall: 5052.62, 0.00295219/step, 2.70765 hours remaining, 206.378906 MB of memory in use. ENERGY: 1698200 766.5799 2100.0932 1934.7961 107.8510 -206123.9396 17812.0323 0.0000 0.0000 34293.3965 -149109.1907 299.4928 -183402.5871 -149010.0993 299.1483 7.5236 35.0774 557568.0095 17.7836 17.7208 PRESSURE: 1698400 -39.5594 28.4549 88.3102 28.4542 -282.451 35.3772 88.3101 35.3773 -175.265 GPRESSURE: 1698400 -58.2154 -23.8972 34.1803 126.903 -221.847 92.1801 137.051 52.5957 -138.662 PRESSAVG: 1698400 -23.6185 -8.92385 -33.141 -8.92382 -9.88897 -29.7971 -33.1409 -29.7971 -40.0539 GPRESSAVG: 1698400 -23.3366 -11.5249 -36.0876 -7.22547 -8.8454 -31.0327 -31.5884 -28.134 -40.867 TIMING: 1698400 CPU: 5053.2, 0.00293613/step Wall: 5053.2, 0.00293613/step, 2.69276 hours remaining, 206.378906 MB of memory in use. ENERGY: 1698400 763.9175 2134.2512 1971.7243 110.5770 -205991.6535 17604.5088 0.0000 0.0000 34283.2550 -149123.4197 299.4042 -183406.6747 -149028.5639 298.5307 -165.7585 -139.5748 557320.8393 -24.5204 -24.3497 PRESSURE: 1698600 -13.4715 -32.5633 173.415 -32.5641 -238.071 -29.8154 173.416 -29.8151 61.0915 GPRESSURE: 1698600 35.9695 -179.791 260.788 0.522249 -205.695 1.54761 145.76 -50.8626 70.2821 PRESSAVG: 1698600 57.269 36.2092 14.8774 36.2093 -59.7688 -43.2252 14.8775 -43.225 -41.6887 GPRESSAVG: 1698600 57.373 37.166 13.6845 33.9244 -60.4877 -42.6648 16.3241 -45.665 -40.9129 TIMING: 1698600 CPU: 5053.8, 0.00298039/step Wall: 5053.8, 0.00298039/step, 2.73318 hours remaining, 206.378906 MB of memory in use. ENERGY: 1698600 762.2289 2131.4926 1946.1946 100.8141 -205972.5960 17841.5151 0.0000 0.0000 34024.8062 -149165.5445 297.1471 -183190.3507 -149062.7748 298.3645 -63.4838 -33.1480 558267.3895 -14.7295 -14.6759 PRESSURE: 1698800 -216.074 -61.2068 63.9564 -61.2055 85.3097 107.535 63.9565 107.535 284.369 GPRESSURE: 1698800 -176.873 -49.1719 -88.1647 -37.1749 116.319 146.238 74.7593 129.621 295.598 PRESSAVG: 1698800 35.2829 21.7799 95.1489 21.7798 -52.6616 -20.4084 95.1488 -20.4084 -9.80337 GPRESSAVG: 1698800 35.4724 23.713 97.4277 23.0508 -52.109 -21.0517 95.5628 -17.8059 -10.8086 TIMING: 1698800 CPU: 5054.39, 0.00296677/step Wall: 5054.39, 0.00296677/step, 2.72053 hours remaining, 206.378906 MB of memory in use. ENERGY: 1698800 733.6001 2135.5505 1945.7055 109.2154 -206432.9019 18030.1170 0.0000 0.0000 34310.2080 -149168.5054 299.6396 -183478.7134 -149071.7510 299.1502 51.2015 78.3480 557773.3744 -9.0607 -9.1484 PRESSURE: 1699000 289.237 59.5254 -132.476 59.5258 31.6559 -48.6603 -132.475 -48.6603 -209.611 GPRESSURE: 1699000 283.726 43.3451 -161.944 -4.42858 111.983 -24.7915 -83.6021 -65.9476 -188.387 PRESSAVG: 1699000 58.7162 31.718 -9.31905 31.718 -36.0147 11.803 -9.31904 11.803 31.8602 GPRESSAVG: 1699000 58.3358 31.821 -9.36257 31.5208 -36.2925 12.474 -10.8147 13.3392 32.613 TIMING: 1699000 CPU: 5054.99, 0.00296824/step Wall: 5054.99, 0.00296824/step, 2.72171 hours remaining, 206.378906 MB of memory in use. ENERGY: 1699000 704.4085 2069.5611 1941.3510 105.2927 -206205.7553 17872.3857 0.0000 0.0000 34260.6170 -149252.1393 299.2065 -183512.7562 -149155.4855 298.9498 37.0941 69.1074 556064.0578 18.1872 18.2188 PRESSURE: 1699200 -210.565 -155.483 33.8602 -155.484 -153.929 109.689 33.8605 109.691 -225.985 GPRESSURE: 1699200 -169.626 -195.415 -11.6277 -138.456 -77.9561 12.1646 105.769 161.815 -239.282 PRESSAVG: 1699200 21.9171 24.9742 -28.1796 24.9741 -21.6352 20.3754 -28.1795 20.3754 -3.13192 GPRESSAVG: 1699200 21.3133 25.2707 -27.0514 23.2042 -21.8624 19.5598 -29.4896 19.0924 -2.65047 TIMING: 1699200 CPU: 5055.59, 0.00299199/step Wall: 5055.59, 0.00299199/step, 2.74332 hours remaining, 206.378906 MB of memory in use. ENERGY: 1699200 761.4841 2063.2227 1933.9994 113.2384 -205579.7075 17452.6325 0.0000 0.0000 34145.5336 -149109.5968 298.2014 -183255.1304 -149018.0415 298.9449 -196.8262 -162.2880 558964.9683 -0.9500 -1.0665 PRESSURE: 1699400 54.9703 -250.333 47.2103 -250.333 -200.335 -57.4762 47.2102 -57.4756 21.2047 GPRESSURE: 1699400 81.7527 -281.502 54.2435 -290.333 -134.313 45.2434 -8.28537 -135.487 17.7887 PRESSAVG: 1699400 -32.2077 -27.7238 39.3258 -27.7237 -44.2401 16.208 39.3258 16.2082 98.3794 GPRESSAVG: 1699400 -30.7504 -29.7186 36.6088 -26.375 -44.3439 18.1979 41.1849 16.2086 97.5274 TIMING: 1699400 CPU: 5056.18, 0.00297215/step Wall: 5056.18, 0.00297215/step, 2.72497 hours remaining, 206.378906 MB of memory in use. ENERGY: 1699400 736.6263 2032.8645 1933.9013 121.7039 -205717.2588 17663.2523 0.0000 0.0000 34235.5394 -148993.3712 298.9875 -183228.9105 -148898.0964 299.5754 -41.3868 -11.5906 558230.9948 7.3105 7.4777 PRESSURE: 1699600 -104.985 45.3012 -67.2767 45.3012 272.682 -58.9894 -67.2761 -58.9907 -121.836 GPRESSURE: 1699600 -131.832 7.7686 -12.7937 115.847 320.909 -80.6058 -7.49131 -113.448 -37.2057 PRESSAVG: 1699600 -30.4855 -12.6855 -7.16453 -12.6856 40.4627 -42.921 -7.16459 -42.9211 -17.3565 GPRESSAVG: 1699600 -31.0596 -11.5751 -5.23235 -12.591 40.6771 -44.4933 -7.25803 -41.8323 -16.593 TIMING: 1699600 CPU: 5056.77, 0.00296426/step Wall: 5056.77, 0.00296426/step, 2.71757 hours remaining, 206.378906 MB of memory in use. ENERGY: 1699600 740.4866 2057.4957 1961.2889 102.7971 -205858.7122 17682.0957 0.0000 0.0000 34236.5092 -149078.0389 298.9960 -183314.5481 -148981.4260 299.2839 15.2873 50.6239 557971.1252 -2.4597 -2.3251 PRESSURE: 1699800 -169.524 -252.774 -55.7588 -252.773 174.599 -26.2273 -55.7588 -26.228 -34.2447 GPRESSURE: 1699800 -124.863 -256.882 -52.7624 -340.407 196.562 19.3256 -134.249 12.1183 3.2835 PRESSAVG: 1699800 68.209 -26.8788 27.5384 -26.8788 -29.4396 -22.8918 27.5383 -22.8918 -10.2703 GPRESSAVG: 1699800 68.8287 -25.9637 27.3394 -27.7835 -29.9236 -23.8345 27.5235 -22.5914 -10.4489 TIMING: 1699800 CPU: 5057.36, 0.0029551/step Wall: 5057.36, 0.0029551/step, 2.70901 hours remaining, 206.378906 MB of memory in use. ENERGY: 1699800 704.5263 2034.2408 1953.0875 108.4758 -205921.7964 17691.3378 0.0000 0.0000 34374.3326 -149055.7956 300.1996 -183430.1283 -148964.0700 299.6785 -9.7230 24.9943 557818.0351 9.4997 9.4854 PRESSURE: 1700000 -60.8333 42.0835 72.3582 42.0835 -32.6839 -81.3431 72.3579 -81.3428 -115.941 GPRESSURE: 1700000 1.63844 -0.527928 187.027 51.7192 -19.4115 -13.3232 15.0215 -82.9718 -82.2755 PRESSAVG: 1700000 8.5763 -73.7291 34.3213 -73.7291 18.0618 -11.7069 34.3214 -11.7069 -68.9127 GPRESSAVG: 1700000 7.37716 -73.5444 33.0104 -72.2304 18.6004 -10.5666 34.3685 -13.7453 -67.7873 TIMING: 1700000 CPU: 5057.96, 0.00299461/step Wall: 5057.96, 0.00299461/step, 2.74506 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: 1700000 720.3850 2116.8251 1922.8684 114.3316 -205780.6951 17546.9077 0.0000 0.0000 34215.5918 -149143.7856 298.8133 -183359.3774 -149040.9079 299.4427 -69.8193 -33.3495 558904.2118 -14.0915 -13.9366 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1700000 WRITING COORDINATES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1700200 -248.173 40.3944 174.011 40.3962 287.936 153.559 174.012 153.557 27.0967 GPRESSURE: 1700200 -208.62 106.282 142.41 -29.6705 344.085 231.094 197.037 100.321 26.5685 PRESSAVG: 1700200 -0.159459 -9.75846 24.5922 -9.75846 61.1166 -23.245 24.5921 -23.2451 -32.5304 GPRESSAVG: 1700200 0.634054 -9.91903 27.2927 -11.3645 60.1584 -25.0885 22.9661 -22.6968 -32.2299 TIMING: 1700200 CPU: 5058.57, 0.00305378/step Wall: 5058.57, 0.00305378/step, 2.79913 hours remaining, 206.378906 MB of memory in use. ENERGY: 1700200 728.5388 2063.8516 1917.1965 103.7164 -206196.9178 17802.4404 0.0000 0.0000 34287.0255 -149294.1487 299.4371 -183581.1742 -149199.3043 298.7204 22.2866 54.0114 558085.2553 9.4756 9.5209 LDB: ============= START OF LOAD BALANCING ============== 5062 LDB: ============== END OF LOAD BALANCING =============== 5062 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5062 LDB: ============= START OF LOAD BALANCING ============== 5062.29 LDB: Largest compute 4821 load 0.024228 is 20.5% of average load 0.118135 LDB: Average compute 0.001702 is 1.4% of average load 0.118135 LDB: TIME 5062.3 LOAD: AVG 0.118135 MAX 0.198478 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.031 MB LDB: TIME 5062.3 LOAD: AVG 0.118135 MAX 0.198478 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.035 MB LDB: TIME 5062.3 LOAD: AVG 0.118135 MAX 0.198478 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.035 MB LDB: ============== END OF LOAD BALANCING =============== 5062.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5062.3 PRESSURE: 1700400 149.211 -83.0558 -59.0091 -83.0544 100.167 -201.794 -59.0092 -201.795 121.502 GPRESSURE: 1700400 235.725 -144.588 26.3063 -92.6065 152.627 -192.294 -48.9531 -181.965 77.0355 PRESSAVG: 1700400 6.3277 31.6277 55.9872 31.6276 43.664 32.1119 55.9872 32.1119 -42.0538 GPRESSAVG: 1700400 7.40922 31.8453 54.5988 32.9069 44.1842 34.5929 58.587 31.1377 -43.4081 TIMING: 1700400 CPU: 5059.17, 0.00300166/step Wall: 5059.17, 0.00300166/step, 2.75119 hours remaining, 206.316406 MB of memory in use. ENERGY: 1700400 709.3159 2150.9826 1948.6949 116.6397 -206267.2160 17815.8431 0.0000 0.0000 34189.6382 -149336.1015 298.5866 -183525.7397 -149230.9894 299.1344 123.6267 155.1293 555152.8400 2.6460 2.7284 PRESSURE: 1700600 134.922 -4.02493 39.3822 -4.02521 -201.713 43.8044 39.3822 43.8051 165.988 GPRESSURE: 1700600 157.4 51.5838 47.2185 17.7412 -213.033 76.679 -37.2716 71.2387 250.728 PRESSAVG: 1700600 -1.81788 25.9879 -7.42374 25.9879 12.9508 -10.0798 -7.42369 -10.0799 31.3712 GPRESSAVG: 1700600 -3.02356 25.4525 -8.57811 28.0095 13.4761 -10.9465 -7.82372 -9.71903 31.8221 TIMING: 1700600 CPU: 5059.77, 0.00298775/step Wall: 5059.77, 0.00298775/step, 2.73827 hours remaining, 206.316406 MB of memory in use. ENERGY: 1700600 723.7915 2129.9763 1933.0924 119.6817 -206335.0347 17824.8807 0.0000 0.0000 34346.3966 -149257.2157 299.9556 -183603.6123 -149162.8938 299.0413 33.0656 65.0319 556852.7474 14.1680 14.0915 PRESSURE: 1700800 41.3456 80.1893 51.4958 80.1892 -47.5277 -210 51.4945 -210 -55.7262 GPRESSURE: 1700800 47.1289 179.654 -19.3956 6.60141 0.493889 -215.787 30.8689 -287.032 -9.12416 PRESSAVG: 1700800 48.4739 44.579 8.96693 44.5791 -48.1981 -52.4987 8.96707 -52.4987 11.9623 GPRESSAVG: 1700800 48.9365 44.6623 9.22697 43.0901 -47.5623 -52.4954 8.58123 -51.7991 11.1483 TIMING: 1700800 CPU: 5060.37, 0.00297038/step Wall: 5060.37, 0.00297038/step, 2.72219 hours remaining, 206.316406 MB of memory in use. ENERGY: 1700800 775.4983 2070.0838 1954.5608 98.0312 -206451.4215 17852.0260 0.0000 0.0000 34369.4545 -149331.7669 300.1570 -183701.2214 -149235.3655 298.9528 -20.6361 12.8329 555821.8270 4.0794 4.1742 PRESSURE: 1701000 60.1003 -10.0233 -23.444 -10.022 134.154 -104.601 -23.4444 -104.6 166.446 GPRESSURE: 1701000 83.8653 -40.6371 -18.6865 40.9474 121.687 -108.104 -11.6352 -122.345 250.893 PRESSAVG: 1701000 -1.99001 -22.8321 20.8569 -22.8321 -39.1343 -41.1938 20.8569 -41.1937 17.9925 GPRESSAVG: 1701000 -2.90021 -20.6861 21.1219 -21.1575 -39.9661 -40.478 20.2497 -41.7872 19.5295 TIMING: 1701000 CPU: 5060.96, 0.00297161/step Wall: 5060.96, 0.00297161/step, 2.72315 hours remaining, 206.316406 MB of memory in use. ENERGY: 1701000 748.7060 2086.1330 1926.5239 126.6951 -206680.3511 18089.0165 0.0000 0.0000 34228.3335 -149474.9432 298.9245 -183703.2767 -149376.7289 298.1349 120.2335 152.1486 556209.5532 -7.7106 -7.7789 PRESSURE: 1701200 -623.048 41.5777 221.868 41.5776 -308.65 -138.37 221.867 -138.371 -366.207 GPRESSURE: 1701200 -616.136 -35.8958 170.565 99.688 -282.754 -79.8708 212.963 -130.247 -296.268 PRESSAVG: 1701200 -89.1611 -0.85784 -2.04787 -0.857857 7.27838 22.2986 -2.0479 22.2986 55.3298 GPRESSAVG: 1701200 -88.9642 -4.64207 -2.98621 -2.30786 7.61334 19.7064 -0.16001 23.0918 54.3929 TIMING: 1701200 CPU: 5061.56, 0.00297906/step Wall: 5061.56, 0.00297906/step, 2.72981 hours remaining, 206.316406 MB of memory in use. ENERGY: 1701200 768.5730 2158.2121 1917.8700 106.8287 -205554.4610 17101.7597 0.0000 0.0000 33993.9970 -149507.2205 296.8780 -183501.2175 -149410.8039 298.8666 -432.6351 -398.3858 559524.3724 -8.8510 -8.9860 PRESSURE: 1701400 -161.867 -19.4399 7.57423 -19.4412 -75.6875 -52.3497 7.57378 -52.3482 -118.529 GPRESSURE: 1701400 -94.7893 -4.01487 23.4204 -42.4402 -94.8794 9.5257 53.9645 -87.9948 -78.6511 PRESSAVG: 1701400 23.5648 2.49852 24.499 2.49857 2.77577 -42.0743 24.499 -42.0745 -38.9321 GPRESSAVG: 1701400 23.3317 5.24931 27.6333 1.65582 2.4059 -40.4594 23.9923 -42.1392 -38.9783 TIMING: 1701400 CPU: 5062.15, 0.00297932/step Wall: 5062.15, 0.00297932/step, 2.72989 hours remaining, 206.316406 MB of memory in use. ENERGY: 1701400 711.8932 2094.8808 1933.9978 125.5333 -205892.6486 17489.8925 0.0000 0.0000 34030.3951 -149506.0557 297.1959 -183536.4509 -149413.4263 298.4902 -118.6946 -89.4399 557374.2397 -4.1972 -4.4135 PRESSURE: 1701600 -42.1029 -77.9646 -62.2036 -77.9648 -23.7469 -61.4075 -62.2035 -61.4062 252.889 GPRESSURE: 1701600 -60.4425 -84.4608 -9.79126 -109.595 17.6957 -69.4296 -35.0861 -83.8332 329.551 PRESSAVG: 1701600 -4.43012 -30.638 60.4173 -30.638 -33.6444 -67.9732 60.4173 -67.9732 9.89204 GPRESSAVG: 1701600 -4.25927 -30.8869 58.5929 -30.5462 -33.7457 -67.8244 60.4894 -68.7183 10.068 TIMING: 1701600 CPU: 5062.75, 0.00297915/step Wall: 5062.75, 0.00297915/step, 2.72956 hours remaining, 206.316406 MB of memory in use. ENERGY: 1701600 714.0262 2000.9759 1941.6152 112.7875 -206336.2546 17843.4369 0.0000 0.0000 34009.3079 -149714.1050 297.0117 -183723.4129 -149614.5492 297.1514 62.3465 95.6014 555355.7674 -9.3942 -9.3123 PRESSURE: 1701800 -188.787 106.879 -54.5855 106.878 82.9456 150.658 -54.5867 150.657 136.46 GPRESSURE: 1701800 -149.1 83.8343 -69.9518 164.877 163.616 86.3761 -88.048 175.232 117.647 PRESSAVG: 1701800 -39.6068 -35.0738 0.591764 -35.0738 44.7205 -32.9732 0.591742 -32.9732 -29.1354 GPRESSAVG: 1701800 -39.6744 -33.8554 -0.710327 -37.0212 45.2704 -34.151 -0.189306 -32.4574 -29.4488 TIMING: 1701800 CPU: 5063.34, 0.00297798/step Wall: 5063.34, 0.00297798/step, 2.72833 hours remaining, 206.316406 MB of memory in use. ENERGY: 1701800 744.1782 2068.6944 1923.7424 110.7767 -206433.0699 17865.6434 0.0000 0.0000 34148.5255 -149571.5092 298.2276 -183720.0348 -149479.6381 297.7720 10.2061 44.0544 556342.3736 -8.0073 -7.9509 PRESSURE: 1702000 218.035 -38.9997 101.891 -39.0005 81.544 -10.4394 101.892 -10.4388 173.577 GPRESSURE: 1702000 238.846 -69.8575 23.5548 18.0689 85.7592 71.5301 78.2213 7.21294 244.126 PRESSAVG: 1702000 -3.17809 42.9159 -9.25541 42.916 34.7477 -3.39513 -9.25541 -3.39504 -31.9302 GPRESSAVG: 1702000 -3.88638 39.8231 -7.39916 45.6306 34.7667 -3.09532 -8.77474 -2.04106 -31.6999 TIMING: 1702000 CPU: 5063.94, 0.00298992/step Wall: 5063.94, 0.00298992/step, 2.7391 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: 1702000 753.5894 2046.8139 1941.7914 112.3770 -206383.5893 17955.2026 0.0000 0.0000 34125.0071 -149448.8079 298.0222 -183573.8150 -149357.5724 298.5144 157.7184 189.5770 556322.4741 -0.1202 -0.2732 PRESSURE: 1702200 -163.494 -6.62582 -118.738 -6.62773 -298.655 108.055 -118.736 108.053 208.085 GPRESSURE: 1702200 -88.9435 -9.85356 -142.504 -25.3157 -247.263 66.6764 -165.22 118.143 169.607 PRESSAVG: 1702200 -50.8728 -41.6756 -31.105 -41.6755 29.9298 13.4132 -31.105 13.4133 -5.94909 GPRESSAVG: 1702200 -49.6307 -41.0798 -32.5897 -42.6098 28.2434 11.8443 -31.1649 11.6873 -6.03439 TIMING: 1702200 CPU: 5064.54, 0.00297987/step Wall: 5064.54, 0.00297987/step, 2.72972 hours remaining, 206.316406 MB of memory in use. ENERGY: 1702200 702.0626 2087.4670 1948.0319 124.3740 -206037.2779 17607.1509 0.0000 0.0000 34205.9899 -149362.2015 298.7294 -183568.1914 -149269.2053 298.7991 -84.6881 -55.5330 557965.5291 -8.9640 -9.1406 PRESSURE: 1702400 332.892 78.8962 -71.5164 78.8957 -61.2416 -27.9987 -71.5166 -27.9979 -212.114 GPRESSURE: 1702400 387.823 104.44 -70.1017 42.75 -59.81 2.80604 -54.1742 -41.4157 -168.979 PRESSAVG: 1702400 -13.4656 -11.3609 -33.1873 -11.3609 -53.0101 -17.3811 -33.1872 -17.3812 19.8313 GPRESSAVG: 1702400 -13.3821 -11.0921 -32.9634 -10.4107 -51.9784 -15.2439 -33.5781 -18.8828 18.6128 TIMING: 1702400 CPU: 5065.14, 0.00299428/step Wall: 5065.14, 0.00299428/step, 2.74276 hours remaining, 206.316406 MB of memory in use. ENERGY: 1702400 706.3694 2128.0328 1931.3898 109.3933 -206264.6835 17894.0938 0.0000 0.0000 34300.1576 -149195.2468 299.5518 -183495.4044 -149099.0091 299.1864 19.8453 53.0112 557992.9797 -15.5481 -15.5826 PRESSURE: 1702600 212.866 68.6457 -102.976 68.6452 82.4041 -97.2017 -102.977 -97.2012 -37.8598 GPRESSURE: 1702600 258.798 129.183 -90.0876 93.9348 57.8217 -43.4657 -113.974 -90.0985 24.4217 PRESSAVG: 1702600 25.573 -0.631925 0.124969 -0.63184 -58.082 15.7852 0.124896 15.7852 34.4963 GPRESSAVG: 1702600 25.6512 -0.207076 1.06795 0.107211 -57.8638 13.1277 0.928111 19.0394 34.263 TIMING: 1702600 CPU: 5065.73, 0.00297296/step Wall: 5065.73, 0.00297296/step, 2.72306 hours remaining, 206.316406 MB of memory in use. ENERGY: 1702600 723.5422 2137.4030 1917.4359 106.9844 -206302.9063 17896.2136 0.0000 0.0000 34171.8396 -149349.4876 298.4312 -183521.3272 -149254.5408 298.7073 85.8034 113.6805 556811.7644 0.6624 0.6834 PRESSURE: 1702800 -181.121 21.8969 6.22066 21.8974 -184.479 -47.3159 6.22029 -47.3167 5.67487 GPRESSURE: 1702800 -94.7189 -20.4606 39.1849 9.70755 -217.627 0.107926 -28.2025 -43.4173 37.7825 PRESSAVG: 1702800 50.9359 3.74167 18.6846 3.74177 -36.6632 20.0953 18.6846 20.0952 26.1616 GPRESSAVG: 1702800 50.685 2.55542 19.5428 3.18924 -36.5539 22.557 16.0933 18.1434 26.6298 TIMING: 1702800 CPU: 5066.33, 0.00298271/step Wall: 5066.33, 0.00298271/step, 2.73183 hours remaining, 206.316406 MB of memory in use. ENERGY: 1702800 728.0300 2071.2260 1928.3017 113.5538 -205942.4625 17676.4803 0.0000 0.0000 34207.9151 -149216.9556 298.7462 -183424.8707 -149121.4728 299.1139 -119.9751 -91.5210 557840.1480 13.4781 13.5870 PRESSURE: 1703000 -291.098 99.4067 -56.1435 99.4075 -175.066 125.667 -56.1434 125.667 -246.927 GPRESSURE: 1703000 -226.081 113.975 17.2595 86.3744 -144.036 91.5574 -92.8295 95.3546 -261.127 PRESSAVG: 1703000 -4.57116 56.249 -43.6599 56.249 -92.7592 -15.2209 -43.6599 -15.2209 40.7029 GPRESSAVG: 1703000 -4.74319 56.9687 -44.6932 56.0208 -92.5044 -16.803 -42.1076 -15.3282 40.2534 TIMING: 1703000 CPU: 5066.92, 0.00297791/step Wall: 5066.92, 0.00297791/step, 2.72727 hours remaining, 206.316406 MB of memory in use. ENERGY: 1703000 742.5696 2025.6591 1959.9445 117.5737 -205837.7736 17424.5541 0.0000 0.0000 34372.6714 -149194.8011 300.1851 -183567.4726 -149096.0539 299.0445 -237.6970 -210.4145 557690.3278 -18.8758 -18.9981 PRESSURE: 1703200 -222.856 110.779 29.0052 110.779 304.494 60.6514 29.0045 60.652 -94.5295 GPRESSURE: 1703200 -162.887 171.102 15.8146 -4.43342 308.122 63.2426 45.4401 142.424 -51.1287 PRESSAVG: 1703200 -56.0378 -10.9805 19.2715 -10.9805 -0.715946 -58.747 19.2715 -58.747 57.4393 GPRESSAVG: 1703200 -55.6631 -11.54 19.8335 -12.4278 -0.686678 -57.5805 17.211 -60.0665 56.7456 TIMING: 1703200 CPU: 5067.52, 0.00297683/step Wall: 5067.52, 0.00297683/step, 2.72611 hours remaining, 206.316406 MB of memory in use. ENERGY: 1703200 714.8760 2117.7643 1952.3166 100.0174 -206233.4513 17714.4003 0.0000 0.0000 34379.0828 -149254.9940 300.2411 -183634.0767 -149157.1852 298.9924 -4.2972 31.3688 557218.1472 0.2285 0.1319 PRESSURE: 1703400 -30.7828 149.734 199.979 149.734 94.7168 11.1996 199.98 11.1998 -119.569 GPRESSURE: 1703400 -18.3085 169.273 189.259 119.015 113.055 83.0751 152.261 -44.3241 -65.9326 PRESSAVG: 1703400 3.73959 15.6273 1.5435 15.6274 9.86548 29.0958 1.54352 29.0958 30.8138 GPRESSAVG: 1703400 4.11126 16.5137 1.03024 16.7564 8.29837 29.9016 2.22077 30.2532 32.2823 TIMING: 1703400 CPU: 5068.12, 0.0029874/step Wall: 5068.12, 0.0029874/step, 2.73562 hours remaining, 206.316406 MB of memory in use. ENERGY: 1703400 746.2991 2106.9287 1941.7841 121.1085 -206046.1404 17822.2242 0.0000 0.0000 34057.7897 -149250.0060 297.4351 -183307.7957 -149154.7953 298.5839 -18.5449 9.6046 557760.2991 14.8063 14.8973 PRESSURE: 1703600 126.021 73.6108 -84.758 73.6098 -67.3596 -37.8387 -84.7582 -37.8384 121.692 GPRESSURE: 1703600 149.123 115.251 -25.1706 82.7109 -41.4893 2.67765 -94.3016 -110.886 162.235 PRESSAVG: 1703600 46.9659 -40.0288 -29.0375 -40.0288 -14.1755 27.6616 -29.0373 27.6616 -39.0658 GPRESSAVG: 1703600 46.1338 -41.157 -31.253 -39.9008 -13.7617 27.4326 -24.9484 26.0556 -38.8204 TIMING: 1703600 CPU: 5068.71, 0.00298823/step Wall: 5068.71, 0.00298823/step, 2.73622 hours remaining, 206.316406 MB of memory in use. ENERGY: 1703600 716.1464 2093.7042 1930.2600 111.6459 -206180.0431 17872.3201 0.0000 0.0000 34189.7772 -149266.1891 298.5878 -183455.9664 -149177.2563 299.5781 60.1180 89.9562 556336.7375 -2.0918 -2.1495 PRESSURE: 1703800 -183.768 3.13106 -133.792 3.13214 12.5308 151.484 -133.792 151.484 -265.439 GPRESSURE: 1703800 -198.307 -56.2604 -38.8828 75.1948 87.5541 69.8755 -178.53 148.123 -235.265 PRESSAVG: 1703800 23.1538 -52.9579 -2.32006 -52.9578 -59.2388 -2.06828 -2.32002 -2.06831 14.2963 GPRESSAVG: 1703800 24.6298 -50.4267 0.705919 -54.4551 -59.2466 -3.33554 -5.83657 0.201407 12.1492 TIMING: 1703800 CPU: 5069.31, 0.0029976/step Wall: 5069.31, 0.0029976/step, 2.74463 hours remaining, 206.316406 MB of memory in use. ENERGY: 1703800 726.5510 2078.8314 1922.5088 114.4335 -206054.6025 17713.2130 0.0000 0.0000 34006.7578 -149492.3070 296.9895 -183499.0648 -149393.7602 299.0823 -145.5588 -115.3394 558542.5385 -7.2629 -7.4892 PRESSURE: 1704000 81.3588 -60.9011 136.193 -60.9013 236.216 107.418 136.193 107.418 -104.927 GPRESSURE: 1704000 86.3661 -44.3419 167.45 -109.889 315.477 156.92 93.5904 22.3855 -99.1133 PRESSAVG: 1704000 -26.0539 -7.87093 47.8502 -7.87093 28.0814 29.3104 47.8503 29.3103 19.3179 GPRESSAVG: 1704000 -27.5411 -9.424 46.7279 -6.64067 28.1716 32.8533 48.5165 27.4741 20.7818 TIMING: 1704000 CPU: 5069.91, 0.00300235/step Wall: 5069.91, 0.00300235/step, 2.74882 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: 1704000 802.0059 2090.8043 1929.1738 114.6304 -206350.4596 18046.0643 0.0000 0.0000 34070.4437 -149297.3371 297.5457 -183367.7809 -149205.6265 298.6922 70.8826 100.9101 556875.0050 7.1151 7.1374 PRESSURE: 1704200 -0.0372998 44.46 -7.6394 44.4604 43.9751 -9.1056 -7.63893 -9.10399 -121.806 GPRESSURE: 1704200 38.5101 70.9762 -34.3046 85.1402 60.6078 -10.6067 48.8276 -18.8544 -77.8853 PRESSAVG: 1704200 -34.6041 -15.7866 -5.27604 -15.7866 -3.80427 6.0833 -5.27601 6.08333 33.9328 GPRESSAVG: 1704200 -33.5079 -15.038 -6.85419 -17.4205 -4.52856 4.04523 -4.70552 8.41737 33.9034 TIMING: 1704200 CPU: 5070.51, 0.00299697/step Wall: 5070.51, 0.00299697/step, 2.74373 hours remaining, 206.316406 MB of memory in use. ENERGY: 1704200 784.0008 2042.3897 1960.6372 121.0384 -206231.9195 17816.1579 0.0000 0.0000 34237.8026 -149269.8928 299.0072 -183507.6954 -149175.9127 298.9771 -25.9559 7.0775 558281.7898 -1.4918 -1.3777 LDB: ============= START OF LOAD BALANCING ============== 5073.94 LDB: ============== END OF LOAD BALANCING =============== 5073.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5073.94 LDB: ============= START OF LOAD BALANCING ============== 5074.24 LDB: Largest compute 4821 load 0.024432 is 20.7% of average load 0.118090 LDB: Average compute 0.001715 is 1.5% of average load 0.118090 LDB: TIME 5074.24 LOAD: AVG 0.11809 MAX 0.199151 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 5074.24 LOAD: AVG 0.11809 MAX 0.199151 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.07 MB LDB: TIME 5074.24 LOAD: AVG 0.11809 MAX 0.199151 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5074.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5074.25 PRESSURE: 1704400 -229.811 73.5233 87.6342 73.5238 -92.9488 -29.9611 87.633 -29.9603 -200.674 GPRESSURE: 1704400 -168.981 94.387 -55.39 19.1731 -71.2774 -42.6649 153.307 -90.5647 -181.067 PRESSAVG: 1704400 20.4238 23.3403 -24.0146 23.3403 -13.1424 21.7882 -24.0146 21.7881 -6.44179 GPRESSAVG: 1704400 19.0854 24.3507 -22.1164 24.7588 -11.032 20.7446 -25.748 23.9019 -7.41196 TIMING: 1704400 CPU: 5071.12, 0.00303087/step Wall: 5071.12, 0.00303087/step, 2.7746 hours remaining, 206.511719 MB of memory in use. ENERGY: 1704400 740.2807 2053.8720 1965.0163 105.5240 -206184.2470 17578.8541 0.0000 0.0000 34253.2763 -149487.4237 299.1424 -183740.7000 -149389.5297 298.6844 -174.4780 -140.4420 556856.6889 0.2799 0.2138 PRESSURE: 1704600 -188.294 76.3685 -46.8042 76.3696 -342.153 64.6888 -46.8046 64.6892 -16.6392 GPRESSURE: 1704600 -122.596 44.4879 -55.5547 97.4511 -328.556 34.505 -28.2911 16.65 -2.90844 PRESSAVG: 1704600 29.9653 87.2773 17.7492 87.2772 -66.6821 -12.3208 17.7493 -12.3208 54.1801 GPRESSAVG: 1704600 30.7928 84.7609 17.2177 87.0498 -66.56 -12.8808 18.6027 -14.3592 52.9598 TIMING: 1704600 CPU: 5071.72, 0.00298476/step Wall: 5071.72, 0.00298476/step, 2.73222 hours remaining, 206.582031 MB of memory in use. ENERGY: 1704600 767.5484 2123.1131 1941.2114 111.6784 -206283.2011 17678.3751 0.0000 0.0000 34208.3995 -149452.8751 298.7505 -183661.2746 -149350.7107 298.7015 -182.3621 -151.3535 558709.8002 5.8211 5.7309 PRESSURE: 1704800 -9.85543 26.6421 1.1404 26.6432 -421.643 -13.5383 1.14048 -13.5404 -53.3034 GPRESSURE: 1704800 -47.5233 108.225 49.7918 44.6286 -343.441 -85.3684 23.2594 60.2099 5.99443 PRESSAVG: 1704800 34.9083 -3.83258 35.8055 -3.83261 -71.9198 -39.4383 35.8055 -39.4384 33.7462 GPRESSAVG: 1704800 34.1156 -3.45152 35.2455 -3.41802 -72.9126 -38.3805 36.0878 -39.5049 35.5181 TIMING: 1704800 CPU: 5072.31, 0.00298231/step Wall: 5072.31, 0.00298231/step, 2.72981 hours remaining, 206.582031 MB of memory in use. ENERGY: 1704800 760.3639 2148.9978 1944.5997 102.9157 -206261.6849 17667.8639 0.0000 0.0000 34133.3730 -149503.5708 298.0952 -183636.9438 -149409.8354 298.2432 -161.6007 -128.3233 556675.7164 -1.0884 -1.0930 PRESSURE: 1705000 9.70615 106.106 89.9671 106.105 -129.969 14.3662 89.9677 14.364 -366.425 GPRESSURE: 1705000 -9.10962 56.1466 132.873 46.5732 -66.361 -80.7318 -45.0562 52.1586 -306.278 PRESSAVG: 1705000 50.0952 -8.27794 40.9898 -8.27804 -28.1683 -5.14639 40.9898 -5.14646 42.6592 GPRESSAVG: 1705000 49.754 -7.76654 41.9156 -8.30673 -26.6864 -4.29385 39.906 -5.81623 41.5576 TIMING: 1705000 CPU: 5072.92, 0.00302803/step Wall: 5072.92, 0.00302803/step, 2.77149 hours remaining, 206.582031 MB of memory in use. ENERGY: 1705000 751.5495 2100.5553 1958.7609 117.1898 -206273.3717 17661.6509 0.0000 0.0000 34333.7120 -149349.9532 299.8448 -183683.6652 -149251.2889 298.6558 -162.2292 -127.2494 557388.4149 21.5287 21.5417 PRESSURE: 1705200 197.366 -5.28917 -60.7751 -5.28872 123.734 -95.12 -60.7736 -95.1218 -39.9117 GPRESSURE: 1705200 211.99 -3.30658 -88.3102 -30.6205 152.562 -2.31315 -77.7319 -223.323 18.9071 PRESSAVG: 1705200 -3.22722 24.2321 21.7842 24.2321 -12.4068 -12.0379 21.7841 -12.0379 -8.24819 GPRESSAVG: 1705200 -3.19365 24.7106 21.6806 23.3244 -13.8637 -14.1036 22.1015 -13.1695 -6.20289 TIMING: 1705200 CPU: 5073.52, 0.00301789/step Wall: 5073.52, 0.00301789/step, 2.76204 hours remaining, 206.582031 MB of memory in use. ENERGY: 1705200 710.1507 2133.3591 1948.0796 102.5938 -206547.7717 18118.5150 0.0000 0.0000 34080.7400 -149454.3335 297.6356 -183535.0736 -149358.8691 298.4015 93.7293 127.8197 556668.1501 -7.9607 -7.7534 PRESSURE: 1705400 195.726 -79.6803 28.6592 -79.6797 -46.0944 89.2243 28.6594 89.2239 89.9659 GPRESSURE: 1705400 172.886 -40.6344 18.4551 -56.6997 23.4817 90.264 -15.2224 196.886 125.427 PRESSAVG: 1705400 12.7429 30.7528 4.40538 30.7528 -58.5323 41.3048 4.40529 41.3047 60.8595 GPRESSAVG: 1705400 13.1129 31.0154 6.08455 31.6634 -57.3856 43.5231 4.2575 40.7932 59.0943 TIMING: 1705400 CPU: 5074.12, 0.00298106/step Wall: 5074.12, 0.00298106/step, 2.72817 hours remaining, 206.582031 MB of memory in use. ENERGY: 1705400 779.3016 2053.2673 1929.7894 108.3446 -206439.2951 18021.6493 0.0000 0.0000 34203.6802 -149343.2627 298.7092 -183546.9429 -149241.8341 298.3618 79.8660 107.2649 557652.6156 5.0234 4.9406 PRESSURE: 1705600 -36.696 22.597 -33.1935 22.5971 -79.9974 -52.2329 -33.1929 -52.233 127.753 GPRESSURE: 1705600 -26.4994 -38.2771 -20.4511 -57.513 10.1165 -26.1556 -23.6083 21.1399 136.006 PRESSAVG: 1705600 39.2383 33.043 -13.9121 33.043 -17.6759 2.33828 -13.912 2.33816 8.96234 GPRESSAVG: 1705600 39.0552 32.9657 -15.06 33.1083 -18.2496 1.35286 -13.0831 4.40043 10.2405 TIMING: 1705600 CPU: 5074.71, 0.00297905/step Wall: 5074.71, 0.00297905/step, 2.72616 hours remaining, 206.582031 MB of memory in use. ENERGY: 1705600 754.8391 2072.9894 1933.5554 102.8068 -206446.5410 18009.0180 0.0000 0.0000 34268.1708 -149305.1615 299.2725 -183573.3323 -149209.9254 298.7470 3.6864 39.8743 557173.6774 10.1749 10.3487 PRESSURE: 1705800 -33.5385 -95.6504 -3.962 -95.6505 -102.637 56.972 -3.96218 56.9716 69.4259 GPRESSURE: 1705800 6.33535 -126.336 59.0772 -20.2563 -39.5427 110.526 -21.2278 -5.42731 63.0126 PRESSAVG: 1705800 -11.0559 -24.0412 13.0745 -24.0412 43.5391 -0.666707 13.0745 -0.666714 -13.0536 GPRESSAVG: 1705800 -10.1185 -23.8072 12.1118 -23.7648 43.6758 -1.16125 11.5318 -0.967612 -14.3969 TIMING: 1705800 CPU: 5075.31, 0.0029716/step Wall: 5075.31, 0.0029716/step, 2.71918 hours remaining, 206.582031 MB of memory in use. ENERGY: 1705800 790.1523 2077.2257 1933.9987 124.0644 -206343.8937 17801.3650 0.0000 0.0000 34221.4162 -149395.6714 298.8641 -183617.0876 -149297.9988 299.1453 -22.2498 9.9351 557091.2319 6.4765 6.3868 PRESSURE: 1706000 73.0572 71.02 -66.4764 71.02 -131.701 56.2777 -66.4767 56.2762 -125.26 GPRESSURE: 1706000 114.803 65.9459 -113.393 14.0628 -148.316 71.8029 -53.5298 66.6689 -51.9747 PRESSAVG: 1706000 -2.96923 -39.7578 33.3737 -39.7577 -2.77612 2.51913 33.3738 2.51899 22.6965 GPRESSAVG: 1706000 -3.47434 -40.0801 32.7094 -40.7965 -3.41585 3.39164 35.5398 0.197507 23.8038 TIMING: 1706000 CPU: 5075.91, 0.00299046/step Wall: 5075.91, 0.00299046/step, 2.73627 hours remaining, 206.582031 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: 1706000 733.2298 2090.9816 1917.1165 119.2122 -206308.1452 17802.9873 0.0000 0.0000 34388.8810 -149255.7369 300.3267 -183644.6178 -149165.9809 299.5663 -61.3011 -28.4957 557732.8403 5.6504 5.6379 PRESSURE: 1706200 -325.835 -43.6577 -153.207 -43.6581 -239.731 -5.23453 -153.209 -5.2337 -57.4714 GPRESSURE: 1706200 -263.319 27.3852 -143.16 3.17286 -209.627 3.21712 -72.965 -12.7953 -54.9286 PRESSAVG: 1706200 14.5327 -46.2422 33.6795 -46.2421 -62.4095 -9.42695 33.6795 -9.42705 13.3883 GPRESSAVG: 1706200 13.1099 -44.6437 35.5617 -46.1336 -61.0101 -10.1539 31.7932 -8.10825 13.0801 TIMING: 1706200 CPU: 5076.5, 0.0029728/step Wall: 5076.5, 0.0029728/step, 2.71995 hours remaining, 206.582031 MB of memory in use. ENERGY: 1706200 724.8584 2103.9241 1923.8602 119.3097 -205926.9178 17419.4676 0.0000 0.0000 34341.1028 -149294.3949 299.9094 -183635.4977 -149202.3470 299.4876 -207.6791 -175.9583 556725.9839 -11.4961 -11.6067 PRESSURE: 1706400 109.142 -11.7933 14.671 -11.7933 -109.178 -195.901 14.6713 -195.899 -61.269 GPRESSURE: 1706400 162.83 19.7974 15.1291 14.0273 -86.3568 -251.965 28.3097 -145.018 -38.0112 PRESSAVG: 1706400 58.5261 -48.6989 -9.32308 -48.6989 -29.482 -15.679 -9.32307 -15.679 1.65938 GPRESSAVG: 1706400 59.7332 -49.0641 -10.622 -47.6268 -30.1728 -16.6689 -7.2564 -15.866 0.844707 TIMING: 1706400 CPU: 5077.1, 0.00299124/step Wall: 5077.1, 0.00299124/step, 2.73665 hours remaining, 206.582031 MB of memory in use. ENERGY: 1706400 741.5150 2125.8969 1949.4333 120.5283 -206309.4835 17808.9832 0.0000 0.0000 34221.9318 -149341.1949 298.8686 -183563.1268 -149241.9552 299.1842 -20.4353 12.8206 556728.8141 10.2345 10.1350 PRESSURE: 1706600 -78.9605 -14.6601 -73.6127 -14.6589 125.598 91.8363 -73.6122 91.8375 -207.607 GPRESSURE: 1706600 -60.417 24.9891 -66.8338 -28.819 148.654 63.0883 -25.5612 88.1667 -144.534 PRESSAVG: 1706600 -14.1766 36.8849 -22.6885 36.8849 50.6758 -43.9138 -22.6885 -43.9137 -34.9232 GPRESSAVG: 1706600 -13.644 34.9496 -19.6477 36.9054 50.867 -42.3986 -25.637 -44.4129 -35.3014 TIMING: 1706600 CPU: 5077.69, 0.0029759/step Wall: 5077.69, 0.0029759/step, 2.72245 hours remaining, 206.582031 MB of memory in use. ENERGY: 1706600 755.8432 2088.4564 1954.1467 123.9048 -206231.8325 17676.9582 0.0000 0.0000 34279.3262 -149353.1971 299.3699 -183632.5232 -149253.4057 298.4734 -53.6564 -18.7658 556659.4953 0.5254 0.6406 PRESSURE: 1706800 47.4389 -222.269 150.437 -222.269 91.6786 114.141 150.437 114.141 162.827 GPRESSURE: 1706800 93.0593 -217.449 190.833 -196.353 97.6743 39.6313 79.1839 192.195 208.946 PRESSAVG: 1706800 24.6475 -11.408 -13.0479 -11.408 -15.8954 -33.6107 -13.0479 -33.6107 23.2175 GPRESSAVG: 1706800 24.9417 -10.7106 -16.4944 -11.5499 -16.1311 -36.4266 -10.9229 -31.8118 23.5289 TIMING: 1706800 CPU: 5078.29, 0.00297257/step Wall: 5078.29, 0.00297257/step, 2.71924 hours remaining, 206.582031 MB of memory in use. ENERGY: 1706800 750.7558 2100.7043 1947.8230 109.3374 -206547.2218 17992.0745 0.0000 0.0000 34318.0964 -149328.4303 299.7085 -183646.5266 -149231.0676 299.2982 100.6481 133.2264 557714.1539 10.6565 10.7799 PRESSURE: 1707000 224.963 99.4923 -131.58 99.4928 -156.516 99.9012 -131.582 99.9009 71.0514 GPRESSURE: 1707000 186.256 134.224 -116.798 34.4356 -115.245 34.7696 -101.458 103.545 163.966 PRESSAVG: 1707000 0.997451 27.3308 -36.3057 27.3308 59.0964 9.10144 -36.3056 9.10147 10.3383 GPRESSAVG: 1707000 1.72602 27.7388 -33.4898 24.0373 58.3665 11.4524 -37.6359 7.50167 10.5362 TIMING: 1707000 CPU: 5078.89, 0.00299328/step Wall: 5078.89, 0.00299328/step, 2.73802 hours remaining, 206.582031 MB of memory in use. ENERGY: 1707000 757.5869 2085.5929 1911.7464 103.8545 -206131.6192 17843.2177 0.0000 0.0000 34166.1388 -149263.4821 298.3814 -183429.6209 -149168.4649 298.6586 46.4995 78.3260 556939.5173 23.4774 23.5429 PRESSURE: 1707200 60.7997 -25.4597 185.376 -25.4598 30.4025 -104.651 185.376 -104.65 -312.108 GPRESSURE: 1707200 92.5953 87.1379 194.218 -79.4771 64.1451 -25.0384 114.061 -150.406 -295.035 PRESSAVG: 1707200 -56.7455 22.5356 -4.21962 22.5357 34.9763 -13.1208 -4.21953 -13.1207 1.71384 GPRESSAVG: 1707200 -59.075 23.7897 -5.74557 24.6477 36.4083 -12.984 -2.7293 -12.3774 2.76076 TIMING: 1707200 CPU: 5079.48, 0.00296769/step Wall: 5079.48, 0.00296769/step, 2.71445 hours remaining, 206.582031 MB of memory in use. ENERGY: 1707200 704.2649 2116.8719 1956.2301 112.1771 -206011.3411 17623.0294 0.0000 0.0000 34241.8918 -149256.8759 299.0430 -183498.7677 -149158.5574 298.7453 -73.6352 -46.0983 556886.4493 -6.6851 -6.6353 PRESSURE: 1707400 48.2889 82.6007 73.0841 82.6009 44.0588 41.6439 73.085 41.645 285.357 GPRESSURE: 1707400 131.464 135.721 109.56 68.1355 57.9293 -7.28148 75.1278 78.9215 285.558 PRESSAVG: 1707400 13.4638 43.7563 51.594 43.7564 44.2087 22.4965 51.5942 22.4964 -30.125 GPRESSAVG: 1707400 14.4096 44.8879 50.9512 42.3521 42.786 21.4869 52.3035 22.3897 -29.9818 TIMING: 1707400 CPU: 5080.07, 0.00294702/step Wall: 5080.07, 0.00294702/step, 2.69538 hours remaining, 206.582031 MB of memory in use. ENERGY: 1707400 735.8231 2172.7831 1932.1109 106.7881 -205985.5705 17787.0064 0.0000 0.0000 34173.3015 -149077.7575 298.4439 -183251.0589 -148986.2733 299.4757 125.9015 158.3172 555677.4155 9.1825 9.0713 PRESSURE: 1707600 -55.7119 -9.37868 22.5014 -9.37783 89.6072 -75.9205 22.5014 -75.9195 16.5793 GPRESSURE: 1707600 15.4177 21.5707 -99.8818 -117.78 106.108 -52.663 8.43422 3.10428 25.0161 PRESSAVG: 1707600 51.9495 16.0354 -13.763 16.0354 -4.7895 16.993 -13.763 16.993 -37.8918 GPRESSAVG: 1707600 52.5581 15.9457 -13.4526 16.3732 -4.82355 19.1035 -14.4698 16.2412 -38.4701 TIMING: 1707600 CPU: 5080.66, 0.00296647/step Wall: 5080.66, 0.00296647/step, 2.713 hours remaining, 206.582031 MB of memory in use. ENERGY: 1707600 749.2263 2102.7959 1954.9982 119.9555 -206173.8670 17833.2008 0.0000 0.0000 34300.6802 -149113.0101 299.5564 -183413.6903 -149012.0876 300.0217 16.8249 48.8472 558067.4065 3.0894 3.0881 PRESSURE: 1707800 -28.8571 42.1652 -169.903 42.1641 -214.229 77.6415 -169.902 77.6427 17.4664 GPRESSURE: 1707800 -9.96881 28.0384 -138.01 123.602 -194.187 74.4342 -231.71 3.02712 67.3273 PRESSAVG: 1707800 -25.9036 20.7951 2.23827 20.7951 35.5188 22.8957 2.23832 22.8957 20.2448 GPRESSAVG: 1707800 -26.2012 20.3 2.04328 21.3968 35.5475 22.171 3.47681 22.8346 20.012 TIMING: 1707800 CPU: 5081.25, 0.00293928/step Wall: 5081.25, 0.00293928/step, 2.68797 hours remaining, 206.582031 MB of memory in use. ENERGY: 1707800 716.5147 2089.5037 1969.0642 119.0603 -206185.0608 17719.1864 0.0000 0.0000 34288.5764 -149283.1551 299.4507 -183571.7315 -149188.2130 299.8029 -75.2067 -45.6097 557902.5943 9.9533 9.7861 PRESSURE: 1708000 -460.421 72.5314 53.6917 72.5316 -13.2736 158.273 53.6906 158.273 27.796 GPRESSURE: 1708000 -413.403 103.023 71.3084 117.793 6.26531 157.227 55.5997 95.7913 60.0478 PRESSAVG: 1708000 -24.8529 30.0844 27.4976 30.0844 33.673 6.25555 27.4976 6.25563 -17.3428 GPRESSAVG: 1708000 -24.2536 29.7091 27.948 30.4678 33.464 7.54432 25.9393 5.46096 -17.9361 TIMING: 1708000 CPU: 5081.85, 0.00296754/step Wall: 5081.85, 0.00296754/step, 2.71365 hours remaining, 206.582031 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: 1708000 698.0224 2069.6909 1945.9595 123.1898 -205868.8464 17589.3704 0.0000 0.0000 34170.5822 -149272.0313 298.4202 -183442.6135 -149178.7095 299.4890 -148.6330 -115.6967 557214.7762 -2.8409 -2.9086 PRESSURE: 1708200 -378.34 48.9082 -9.55781 48.9088 -174.593 -210.766 -9.55762 -210.766 -18.2897 GPRESSURE: 1708200 -275.852 33.2084 67.9785 40.4482 -177.239 -246.615 -114.445 -233.508 -22.1432 PRESSAVG: 1708200 -12.2595 -46.2466 67.3617 -46.2467 -44.1184 -10.0585 67.3617 -10.0587 60.7808 GPRESSAVG: 1708200 -13.3215 -47.7388 65.8044 -47.6764 -43.6091 -9.84474 68.5596 -9.43315 60.4492 TIMING: 1708200 CPU: 5082.45, 0.00300724/step Wall: 5082.45, 0.00300724/step, 2.74979 hours remaining, 206.582031 MB of memory in use. ENERGY: 1708200 733.7674 2131.2235 1932.9383 112.0566 -205908.6693 17381.0295 0.0000 0.0000 34281.6356 -149336.0182 299.3901 -183617.6538 -149234.8315 298.9971 -190.4077 -158.4114 557448.6456 1.4676 1.1729 LDB: ============= START OF LOAD BALANCING ============== 5085.88 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5085.88 LDB: =============== DONE WITH MIGRATION ================ 5085.88 LDB: ============= START OF LOAD BALANCING ============== 5086.18 LDB: Largest compute 4821 load 0.023924 is 20.3% of average load 0.118068 LDB: Average compute 0.001713 is 1.5% of average load 0.118068 LDB: TIME 5086.18 LOAD: AVG 0.118068 MAX 0.201018 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 5086.18 LOAD: AVG 0.118068 MAX 0.201018 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: TIME 5086.18 LOAD: AVG 0.118068 MAX 0.201018 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 5086.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5086.19 PRESSURE: 1708400 -136.953 -41.3297 126.479 -41.3296 -16.2442 30.6754 126.48 30.675 -126.943 GPRESSURE: 1708400 -83.3422 -13.6364 139.237 -55.4533 28.6655 -5.23564 93.7064 -68.2502 -131.685 PRESSAVG: 1708400 6.87881 -34.2499 25.6677 -34.2499 5.40429 -37.8635 25.6677 -37.8634 40.6385 GPRESSAVG: 1708400 6.9031 -32.4793 26.3933 -32.1679 6.15549 -39.1804 25.2052 -34.2447 40.1454 TIMING: 1708400 CPU: 5083.06, 0.0030475/step Wall: 5083.06, 0.0030475/step, 2.78643 hours remaining, 206.000000 MB of memory in use. ENERGY: 1708400 759.4393 2102.1027 1961.9717 124.0160 -206163.7342 17806.2433 0.0000 0.0000 34411.9809 -148997.9802 300.5284 -183409.9611 -148902.2998 299.2437 -93.3800 -62.1204 557940.6241 17.6405 17.7347 PRESSURE: 1708600 -231.708 -89.2927 154.3 -89.2933 -112.237 215.522 154.298 215.522 -41.6521 GPRESSURE: 1708600 -112.724 -89.6786 109.119 -61.4037 -114.124 175.903 190.646 172.146 -70.7821 PRESSAVG: 1708600 -38.4218 3.56988 -5.19859 3.56991 6.61809 3.72015 -5.19859 3.72006 -33.9922 GPRESSAVG: 1708600 -38.1399 3.6935 -4.63414 3.26674 6.97491 4.25604 -4.80299 0.5051 -34.7385 TIMING: 1708600 CPU: 5083.65, 0.00299336/step Wall: 5083.65, 0.00299336/step, 2.73676 hours remaining, 206.203125 MB of memory in use. ENERGY: 1708600 746.6127 2134.5887 1935.3072 106.9129 -205942.7413 17616.9220 0.0000 0.0000 34318.9146 -149083.4833 299.7156 -183402.3979 -148986.0158 299.2804 -128.5323 -99.2098 558782.8893 -21.9320 -21.9679 PRESSURE: 1708800 -253.518 -43.4875 36.8997 -43.4866 329.264 14.0884 36.9011 14.0891 296.236 GPRESSURE: 1708800 -137.225 -6.94034 72.4102 -53.1241 334.93 -0.699081 32.9733 -16.1414 269.103 PRESSAVG: 1708800 -21.7417 -14.3474 11.8928 -14.3473 25.6483 27.8624 11.8929 27.8624 50.6432 GPRESSAVG: 1708800 -21.1904 -14.5821 12.1715 -15.9292 24.6539 27.3836 11.82 27.237 50.8105 TIMING: 1708800 CPU: 5084.25, 0.00297377/step Wall: 5084.25, 0.00297377/step, 2.71869 hours remaining, 206.203125 MB of memory in use. ENERGY: 1708800 748.3366 2164.9311 1945.5390 115.6229 -206507.4717 18116.9259 0.0000 0.0000 34053.6342 -149362.4821 297.3989 -183416.1163 -149265.8809 299.3006 123.9938 155.6025 558340.0636 18.1833 18.0913 PRESSURE: 1709000 115.667 16.2502 -58.0287 16.2494 15.9676 -23.4782 -58.028 -23.477 -82.3 GPRESSURE: 1709000 108.7 3.75584 -47.1624 -19.5502 45.0526 -2.16787 -18.2172 -36.7035 -14.9444 PRESSAVG: 1709000 -59.0677 -30.7035 52.7296 -30.7036 33.7326 14.9861 52.7297 14.9861 13.6237 GPRESSAVG: 1709000 -61.0017 -32.0232 53.909 -29.4675 34.2808 15.2395 51.7473 16.504 15.06 TIMING: 1709000 CPU: 5084.85, 0.00299081/step Wall: 5084.85, 0.00299081/step, 2.7341 hours remaining, 206.203125 MB of memory in use. ENERGY: 1709000 720.0339 2076.5049 1923.7563 108.6589 -206701.3874 18069.0448 0.0000 0.0000 34047.9853 -149755.4033 297.3495 -183803.3886 -149654.9539 298.3644 16.4450 46.2695 558168.5359 -3.9038 -3.8870 PRESSURE: 1709200 194.909 56.2263 -76.7075 56.2254 -146.66 167.092 -76.7073 167.091 193.742 GPRESSURE: 1709200 225.743 8.54724 -86.6098 98.5574 -44.4478 136.804 -160.911 212.243 158.959 PRESSAVG: 1709200 -52.6674 20.6193 -7.45679 20.6193 31.2142 0.389158 -7.45681 0.38916 59.7719 GPRESSAVG: 1709200 -52.2749 20.4365 -7.52298 19.8447 31.231 0.315354 -5.46609 -1.92136 58.9555 TIMING: 1709200 CPU: 5085.44, 0.00297383/step Wall: 5085.44, 0.00297383/step, 2.71841 hours remaining, 206.203125 MB of memory in use. ENERGY: 1709200 733.7025 2025.2551 1959.4793 120.2573 -206761.5358 18142.0137 0.0000 0.0000 34247.1954 -149533.6325 299.0893 -183780.8279 -149439.4768 297.9684 80.6639 113.4182 557505.8641 12.7729 12.6372 PRESSURE: 1709400 -245.592 -14.9928 -36.9062 -14.9938 -21.9318 24.5767 -36.9052 24.5779 -120.263 GPRESSURE: 1709400 -197.152 -54.9779 30.4749 -62.1258 -38.7936 61.3196 -62.8558 -18.2284 -51.0614 PRESSAVG: 1709400 -55.5418 21.449 -7.51532 21.449 -5.44754 -23.5621 -7.51535 -23.5621 76.999 GPRESSAVG: 1709400 -54.3598 20.8577 -7.12682 21.4835 -7.18225 -24.8466 -10.2834 -22.0087 77.5066 TIMING: 1709400 CPU: 5086.04, 0.00296836/step Wall: 5086.04, 0.00296836/step, 2.71325 hours remaining, 206.203125 MB of memory in use. ENERGY: 1709400 705.7819 2050.1073 1951.1696 121.8759 -206144.0567 17444.8022 0.0000 0.0000 34268.1118 -149602.2082 299.2719 -183870.3200 -149503.8534 298.9847 -129.2622 -95.6691 557019.3889 5.3365 5.3215 PRESSURE: 1709600 -65.5246 -0.145331 -33.0474 -0.145427 156.359 -91.8434 -33.0472 -91.8423 -199.35 GPRESSURE: 1709600 27.0853 5.63 -59.91 -5.88151 183.058 -178.665 -86.5426 -8.77253 -224.186 PRESSAVG: 1709600 44.2454 81.137 -40.736 81.1369 -32.3794 24.5848 -40.736 24.5849 -18.4662 GPRESSAVG: 1709600 41.9715 81.9692 -42.892 81.9258 -31.0326 24.5428 -37.3974 23.6054 -17.8856 TIMING: 1709600 CPU: 5086.63, 0.00297553/step Wall: 5086.63, 0.00297553/step, 2.71964 hours remaining, 206.203125 MB of memory in use. ENERGY: 1709600 711.8488 2135.8865 1945.5998 113.3134 -206252.7635 17817.8081 0.0000 0.0000 33987.1356 -149541.1713 296.8181 -183528.3069 -149445.2458 297.8154 -36.1720 -4.6810 558150.4193 -2.2001 -2.3156 PRESSURE: 1709800 -49.8608 12.2065 191.582 12.2066 -119.608 61.9316 191.581 61.9299 -111.668 GPRESSURE: 1709800 15.1864 9.38853 136.008 -50.438 -122.56 50.938 128.031 72.2451 -74.8264 PRESSAVG: 1709800 20.7452 13.4903 22.5524 13.4903 -1.92615 64.9878 22.5524 64.9878 31.1344 GPRESSAVG: 1709800 21.7671 12.1119 25.182 12.5424 -0.58865 68.1151 20.7404 63.8251 29.0272 TIMING: 1709800 CPU: 5087.22, 0.0029555/step Wall: 5087.22, 0.0029555/step, 2.70116 hours remaining, 206.203125 MB of memory in use. ENERGY: 1709800 768.4190 2089.7744 1947.2152 105.3975 -206590.8477 17817.4965 0.0000 0.0000 34352.2665 -149510.2785 300.0069 -183862.5450 -149410.6744 298.2370 -93.7122 -60.7335 556768.6849 16.6512 16.7352 PRESSURE: 1710000 97.2876 18.0754 -73.6849 18.0753 83.3372 -76.1099 -73.6844 -76.1103 59.8805 GPRESSURE: 1710000 93.0391 50.5333 -105.865 -5.94649 129.212 -109.335 -31.3689 -19.5932 101.546 PRESSAVG: 1710000 -24.4281 23.4085 -24.6511 23.4085 -16.2704 -15.7313 -24.651 -15.7314 2.49807 GPRESSAVG: 1710000 -25.1459 24.7128 -24.9689 23.1998 -16.8398 -17.8869 -25.2395 -12.7649 4.1276 TIMING: 1710000 CPU: 5087.81, 0.00295677/step Wall: 5087.81, 0.00295677/step, 2.70216 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: 1710000 771.4780 2031.3600 1933.7772 106.7681 -206434.2954 18035.6124 0.0000 0.0000 34141.1525 -149414.1472 298.1632 -183555.2997 -149319.8685 298.3942 80.1684 107.9322 557297.5751 -12.7335 -12.6194 PRESSURE: 1710200 234.043 99.9614 -125.133 99.9616 -59.0435 -71.5017 -125.134 -71.5023 112.245 GPRESSURE: 1710200 311.105 126.809 -159.992 156.031 -20.0314 -105.581 -42.745 -126.51 102.286 PRESSAVG: 1710200 -14.8748 1.4477 -21.1441 1.44768 -17.0852 9.00578 -21.144 9.00591 30.9528 GPRESSAVG: 1710200 -14.4436 1.0581 -22.1965 1.35354 -17.5327 9.13881 -20.2428 6.6231 30.821 TIMING: 1710200 CPU: 5088.41, 0.0029625/step Wall: 5088.41, 0.0029625/step, 2.70723 hours remaining, 206.203125 MB of memory in use. ENERGY: 1710200 753.1150 2072.4554 1921.2797 116.9429 -206306.9642 17996.6832 0.0000 0.0000 33981.7925 -149464.6955 296.7714 -183446.4879 -149369.8564 298.0543 95.7480 131.1199 557806.9835 -0.3357 -0.3851 PRESSURE: 1710400 217.907 -173.226 44.0744 -173.226 -36.2182 7.82147 44.0756 7.82184 -40.1238 GPRESSURE: 1710400 264.717 -120.146 -14.539 -151.532 8.91275 38.688 -15.5419 -43.1859 -38.119 PRESSAVG: 1710400 35.814 -26.6668 34.8643 -26.6669 -59.8362 5.73644 34.8643 5.73636 12.6746 GPRESSAVG: 1710400 35.25 -25.9011 33.0327 -23.8956 -59.7198 6.19349 36.344 4.77574 13.1832 TIMING: 1710400 CPU: 5089, 0.00296357/step Wall: 5089, 0.00296357/step, 2.70804 hours remaining, 206.203125 MB of memory in use. ENERGY: 1710400 748.3449 2046.6985 1929.5694 130.7306 -206282.8915 17715.8577 0.0000 0.0000 34393.2991 -149318.3914 300.3652 -183711.6905 -149221.9054 298.7917 47.1882 78.5035 555001.8593 -3.7826 -3.7622 PRESSURE: 1710600 -267.574 -106.15 17.0272 -106.152 104.589 -272.96 17.0267 -272.959 88.0596 GPRESSURE: 1710600 -229.799 -49.2744 32.0841 -140.886 121.283 -284.245 58.4647 -278.668 131.498 PRESSAVG: 1710600 91.6448 -5.61997 54.1643 -5.62 -59.0796 -15.9276 54.1643 -15.9276 -8.02314 GPRESSAVG: 1710600 91.7839 -5.91716 57.7684 -6.84499 -59.3138 -17.1845 52.8117 -15.4038 -7.74034 TIMING: 1710600 CPU: 5089.59, 0.00296173/step Wall: 5089.59, 0.00296173/step, 2.7062 hours remaining, 206.203125 MB of memory in use. ENERGY: 1710600 730.0110 2093.1978 1942.7325 121.8832 -205670.7173 17439.9403 0.0000 0.0000 34277.9182 -149065.0343 299.3576 -183342.9525 -148971.7945 299.5007 -24.9754 7.6606 556646.1384 8.1807 8.2433 PRESSURE: 1710800 -78.8285 23.7876 -40.3289 23.7874 -322.156 -25.3832 -40.3296 -25.3841 -187.205 GPRESSURE: 1710800 -67.4491 37.0064 -35.4406 -88.33 -295.03 6.21702 1.6318 -81.5015 -123.701 PRESSAVG: 1710800 83.9683 -9.67698 -21.9712 -9.67699 -52.3303 -47.0305 -21.9711 -47.0306 -52.0758 GPRESSAVG: 1710800 83.7504 -9.62272 -26.0304 -10.1778 -52.2641 -47.4 -19.8966 -47.2196 -52.0194 TIMING: 1710800 CPU: 5090.18, 0.00296523/step Wall: 5090.18, 0.00296523/step, 2.70923 hours remaining, 206.203125 MB of memory in use. ENERGY: 1710800 794.3963 2149.2378 1925.6475 110.6571 -205502.8906 17273.4775 0.0000 0.0000 34365.6019 -148883.8725 300.1233 -183249.4744 -148782.1351 299.2758 -196.0631 -162.0599 557327.0433 -6.8126 -6.8444 PRESSURE: 1711000 98.9726 -43.2035 -72.3793 -43.2047 -115.954 9.81493 -72.3804 9.81345 -209.632 GPRESSURE: 1711000 73.848 -23.6053 -80.2461 -59.029 -21.1511 13.4949 -107.675 46.0113 -178.312 PRESSAVG: 1711000 21.4672 -11.1307 54.7423 -11.1308 44.8334 0.297844 54.7422 0.297878 -74.8414 GPRESSAVG: 1711000 22.8928 -12.5451 56.573 -10.4571 44.2985 1.48959 53.2556 1.21331 -75.5951 TIMING: 1711000 CPU: 5090.78, 0.00298179/step Wall: 5090.78, 0.00298179/step, 2.7242 hours remaining, 206.203125 MB of memory in use. ENERGY: 1711000 759.3287 2092.6122 1934.0489 121.5123 -206146.8195 17711.6467 0.0000 0.0000 34640.0496 -148887.6212 302.5202 -183527.6708 -148788.8328 300.1629 -75.5377 -41.8717 557419.0978 -2.8469 -2.8013 PRESSURE: 1711200 -138.662 192.428 -30.3792 192.429 10.6255 19.573 -30.3782 19.5707 -106.416 GPRESSURE: 1711200 -42.8319 135.95 -28.1275 194.162 -55.8681 130.514 -50.282 33.8014 -36.4708 PRESSAVG: 1711200 36.6155 18.443 -2.0262 18.443 -13.9892 27.4088 -2.02629 27.4087 20.2115 GPRESSAVG: 1711200 36.7892 19.7862 -0.252177 17.579 -14.3952 27.252 -2.3409 27.7038 20.5055 TIMING: 1711200 CPU: 5091.37, 0.00296596/step Wall: 5091.37, 0.00296596/step, 2.70957 hours remaining, 206.203125 MB of memory in use. ENERGY: 1711200 777.1558 2079.8605 1950.8361 109.7415 -205900.6223 17546.6095 0.0000 0.0000 34513.9365 -148922.4822 301.4188 -183436.4187 -148829.9614 301.0141 -78.1511 -45.0569 556023.9154 14.2793 14.2998 PRESSURE: 1711400 58.0962 -54.4844 106.349 -54.4844 -239.118 4.7831 106.348 4.78272 -74.4221 GPRESSURE: 1711400 176.762 -3.36812 162.597 -89.4333 -268.398 48.6466 68.0704 10.8285 -45.417 PRESSAVG: 1711400 42.164 2.06875 9.32624 2.06876 -16.6484 -72.747 9.32621 -72.747 16.3633 GPRESSAVG: 1711400 41.8363 2.87934 8.79504 1.82183 -16.1797 -73.5106 9.90913 -71.8393 16.3964 TIMING: 1711400 CPU: 5091.97, 0.0029588/step Wall: 5091.97, 0.0029588/step, 2.70286 hours remaining, 206.203125 MB of memory in use. ENERGY: 1711400 763.6565 2053.3562 1941.4529 106.6850 -206140.5891 17718.8330 0.0000 0.0000 34533.7711 -149022.8343 301.5920 -183556.6054 -148928.9142 300.2036 -85.1479 -45.6843 555980.4178 13.9596 14.0176 PRESSURE: 1711600 32.5108 -16.5321 46.6269 -16.5301 -180.907 -117.294 46.627 -117.295 -136.35 GPRESSURE: 1711600 75.3033 46.0753 53.7364 4.54772 -204.413 -296.912 22.8694 -102.937 -62.5844 PRESSAVG: 1711600 16.6455 -35.0766 33.0582 -35.0766 -16.2722 -19.3425 33.0583 -19.3425 -25.5375 GPRESSAVG: 1711600 17.5506 -37.3366 33.4854 -33.8693 -16.4811 -22.0153 32.5378 -19.0007 -26.2513 TIMING: 1711600 CPU: 5092.56, 0.00298093/step Wall: 5092.56, 0.00298093/step, 2.72291 hours remaining, 206.203125 MB of memory in use. ENERGY: 1711600 751.8586 2072.4934 1961.5899 121.9620 -205724.6107 17608.0095 0.0000 0.0000 34191.2297 -149017.4675 298.6005 -183208.6973 -148924.6376 300.3509 -94.9154 -63.8979 557794.9439 -8.3881 -8.3939 PRESSURE: 1711800 92.0836 164.046 -7.1513 164.047 -219.557 -88.8957 -7.15162 -88.8959 -96.2427 GPRESSURE: 1711800 111.165 165.426 23.4394 119.705 -201.872 -11.559 -80.9137 -88.146 -45.9188 PRESSAVG: 1711800 28.1656 -38.8114 3.16302 -38.8113 -24.0972 -35.7396 3.16305 -35.7395 22.7441 GPRESSAVG: 1711800 27.0531 -37.0544 4.44517 -41.8587 -23.8388 -34.0259 2.26346 -34.9396 23.1787 TIMING: 1711800 CPU: 5093.16, 0.00300029/step Wall: 5093.16, 0.00300029/step, 2.74043 hours remaining, 206.203125 MB of memory in use. ENERGY: 1711800 734.2475 2064.8958 1950.1462 107.6789 -205984.0018 17676.3934 0.0000 0.0000 34527.0456 -148923.5943 301.5333 -183450.6400 -148831.5399 299.4882 -74.5722 -45.5418 557201.1715 8.9375 8.7976 PRESSURE: 1712000 -65.0928 -50.6723 -121.032 -50.6731 102.499 132.452 -121.035 132.453 -157.642 GPRESSURE: 1712000 -73.2854 -104.172 -4.63858 -64.9972 140.44 76.758 -183.462 42.9488 -96.7621 PRESSAVG: 1712000 2.83506 -29.35 -38.7515 -29.3501 -3.15059 -5.09914 -38.7514 -5.09905 -7.86991 GPRESSAVG: 1712000 2.28183 -29.4137 -39.0237 -28.2083 -2.69086 -2.76228 -38.7585 -7.78932 -7.06945 TIMING: 1712000 CPU: 5093.76, 0.00298786/step Wall: 5093.76, 0.00298786/step, 2.72891 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: 1712000 743.0294 2151.7234 1957.7380 114.7223 -205944.0798 17653.8271 0.0000 0.0000 34184.4226 -149138.6169 298.5411 -183323.0396 -149045.0104 300.0193 -40.0785 -9.8693 558349.8818 -2.7285 -2.4928 PRESSURE: 1712200 249.952 -25.5767 203.307 -25.577 392.865 -38.758 203.305 -38.7581 143.24 GPRESSURE: 1712200 281.962 -67.1479 236.023 -53.9801 426.088 -114.645 203.508 39.4478 167.889 PRESSAVG: 1712200 1.24371 -21.1218 11.0105 -21.1218 53.5114 33.455 11.0105 33.455 -23.0137 GPRESSAVG: 1712200 2.43656 -23.1338 8.17114 -21.2439 52.9172 31.4318 12.3539 34.0947 -23.9138 TIMING: 1712200 CPU: 5094.36, 0.00298748/step Wall: 5094.36, 0.00298748/step, 2.7284 hours remaining, 206.203125 MB of memory in use. ENERGY: 1712200 782.5417 2037.7979 1939.8717 90.2668 -206755.9630 18263.3850 0.0000 0.0000 34358.3068 -149283.7931 300.0596 -183642.0999 -149184.6113 299.4343 262.0188 291.9798 556506.2518 10.5805 10.4800 LDB: ============= START OF LOAD BALANCING ============== 5097.78 LDB: ============== END OF LOAD BALANCING =============== 5097.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5097.78 LDB: ============= START OF LOAD BALANCING ============== 5098.08 LDB: Largest compute 4821 load 0.024049 is 20.4% of average load 0.117986 LDB: Average compute 0.001714 is 1.5% of average load 0.117986 LDB: TIME 5098.08 LOAD: AVG 0.117986 MAX 0.20024 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.742 MB LDB: TIME 5098.09 LOAD: AVG 0.117986 MAX 0.20024 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: TIME 5098.09 LOAD: AVG 0.117986 MAX 0.20024 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5098.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5098.09 PRESSURE: 1712400 -59.4048 23.6708 -53.7513 23.6706 -133.521 16.0474 -53.7499 16.0467 -69.2946 GPRESSURE: 1712400 -1.40083 0.757379 -103.531 108.411 -118.734 -18.7064 -8.9626 -12.4841 -55.2796 PRESSAVG: 1712400 -43.868 24.8499 -29.7482 24.8499 28.489 7.49835 -29.7481 7.49827 14.161 GPRESSAVG: 1712400 -44.8656 24.8298 -28.9958 24.2727 28.6829 9.51894 -31.785 7.63638 14.8973 TIMING: 1712400 CPU: 5094.96, 0.00302485/step Wall: 5094.96, 0.00302485/step, 2.76236 hours remaining, 206.511719 MB of memory in use. ENERGY: 1712400 775.8757 2142.0619 1920.8404 116.1350 -206238.2980 17782.8420 0.0000 0.0000 34178.1632 -149322.3799 298.4864 -183500.5430 -149220.8883 298.3723 -87.4068 -58.4714 558979.9837 -0.4060 -0.4285 PRESSURE: 1712600 -74.7663 -151.104 -6.61989 -151.103 -25.5357 44.6715 -6.61971 44.6716 -34.6697 GPRESSURE: 1712600 -36.9312 -165.731 -85.295 -139.244 -12.0743 0.907334 71.9699 17.9486 -1.32838 PRESSAVG: 1712600 -82.0401 -18.2063 -62.6126 -18.2063 73.5142 13.0871 -62.6125 13.087 22.7092 GPRESSAVG: 1712600 -81.3998 -15.7027 -63.5786 -18.1404 73.721 10.0151 -62.0045 13.4399 21.7116 TIMING: 1712600 CPU: 5095.56, 0.002974/step Wall: 5095.56, 0.002974/step, 2.71575 hours remaining, 206.769531 MB of memory in use. ENERGY: 1712600 762.4580 2064.8039 1931.4289 125.6921 -205987.7182 17639.0232 0.0000 0.0000 34186.7500 -149277.5621 298.5614 -183464.3121 -149179.2573 299.4452 -44.9905 -16.7779 557778.5079 4.7278 4.6776 PRESSURE: 1712800 100.374 -3.967 107.639 -3.96793 -4.76692 -78.3101 107.638 -78.3088 82.3957 GPRESSURE: 1712800 114.827 81.8581 82.1707 29.6166 23.9519 -11.9608 144.944 -108.829 129.294 PRESSAVG: 1712800 -45.3784 -33.0219 -48.6912 -33.0218 -21.2866 -19.048 -48.6912 -19.0479 65.1668 GPRESSAVG: 1712800 -46.0135 -33.563 -48.4388 -33.295 -20.4191 -16.199 -48.1619 -21.5135 65.0084 TIMING: 1712800 CPU: 5096.16, 0.0029938/step Wall: 5096.16, 0.0029938/step, 2.73367 hours remaining, 206.769531 MB of memory in use. ENERGY: 1712800 726.4329 2053.1405 1913.0695 128.3510 -206060.7782 17840.1192 0.0000 0.0000 34211.3337 -149188.3314 298.7761 -183399.6651 -149084.3699 299.0271 59.3342 89.3578 557820.3692 -0.4994 -0.4747 PRESSURE: 1713000 33.1481 -103.75 18.6558 -103.75 49.1864 -52.748 18.6567 -52.7491 5.77657 GPRESSURE: 1713000 5.39004 15.0644 137.117 -122.944 83.3305 -111.014 -5.41079 -35.0714 81.6293 PRESSAVG: 1713000 -29.3022 -20.6272 6.91055 -20.6274 -11.8166 -36.9867 6.91056 -36.9867 46.3862 GPRESSAVG: 1713000 -29.2787 -22.4983 8.8755 -18.0938 -11.1275 -38.4118 6.06327 -33.2822 45.505 TIMING: 1713000 CPU: 5096.75, 0.00299203/step Wall: 5096.75, 0.00299203/step, 2.73189 hours remaining, 206.769531 MB of memory in use. ENERGY: 1713000 739.7878 2048.7405 1932.6899 109.1386 -206141.5291 17863.7486 0.0000 0.0000 34262.4343 -149184.9896 299.2224 -183447.4238 -149081.9210 298.9556 29.3704 56.7833 559125.9816 1.7558 1.6996 PRESSURE: 1713200 133.593 114.731 26.3232 114.731 3.94758 -250.668 26.3223 -250.668 333.352 GPRESSURE: 1713200 139.115 74.7092 65.7047 144.54 71.9804 -250.533 57.1589 -260.795 361.922 PRESSAVG: 1713200 -24.7147 -7.97901 -19.6226 -7.97906 -6.64258 -103.621 -19.6226 -103.621 76.4546 GPRESSAVG: 1713200 -25.2019 -6.4294 -22.5897 -9.89567 -7.90922 -102.513 -16.4921 -104.681 78.1604 TIMING: 1713200 CPU: 5097.35, 0.00300283/step Wall: 5097.35, 0.00300283/step, 2.74159 hours remaining, 206.769531 MB of memory in use. ENERGY: 1713200 714.9758 2133.7577 1922.2909 112.5626 -206558.4365 18230.4823 0.0000 0.0000 34220.4299 -149223.9373 298.8555 -183444.3672 -149122.7423 298.4693 156.9642 191.0055 558912.1686 15.0324 15.0164 PRESSURE: 1713400 43.3784 -144.721 23.2677 -144.722 -99.5806 45.0273 23.268 45.0258 44.8357 GPRESSURE: 1713400 63.3201 -112.38 -16.7365 -201.256 -116.498 110.328 54.2821 5.06136 136.569 PRESSAVG: 1713400 66.2313 -45.3862 5.08408 -45.3862 -54.0963 -59.8704 5.08407 -59.8705 -0.77489 GPRESSAVG: 1713400 67.7258 -45.2994 7.16103 -46.3643 -54.9189 -59.7778 2.67861 -58.3079 -1.61424 TIMING: 1713400 CPU: 5097.94, 0.00295182/step Wall: 5097.94, 0.00295182/step, 2.69485 hours remaining, 206.769531 MB of memory in use. ENERGY: 1713400 758.6978 2131.8377 1938.6202 102.2757 -205865.5602 17647.7205 0.0000 0.0000 34217.9605 -149068.4478 298.8340 -183286.4083 -148973.1005 299.3599 -3.7888 27.7968 558097.5529 3.7867 3.7309 PRESSURE: 1713600 50.2653 23.9643 51.1544 23.9647 29.2088 -48.3263 51.1554 -48.3275 -188.68 GPRESSURE: 1713600 84.4157 -17.6311 58.6638 22.1568 44.7397 -128.821 -8.08163 13.7708 -125.21 PRESSAVG: 1713600 31.2557 3.69151 26.239 3.69161 6.16823 22.8929 26.239 22.8929 27.7142 GPRESSAVG: 1713600 31.3462 3.42713 26.5098 5.57963 6.77825 22.1501 26.0969 24.0796 26.7392 TIMING: 1713600 CPU: 5098.54, 0.00297726/step Wall: 5098.54, 0.00297726/step, 2.71791 hours remaining, 206.769531 MB of memory in use. ENERGY: 1713600 779.0647 2123.4346 1940.6568 108.9376 -206073.2055 17875.0321 0.0000 0.0000 34057.5100 -149188.5697 297.4327 -183246.0797 -149091.9830 299.6100 -36.4020 1.3150 558745.9357 21.7127 21.6212 PRESSURE: 1713800 -118.147 50.1375 -133.711 50.1381 -128.482 -205.342 -133.711 -205.34 33.3879 GPRESSURE: 1713800 -105.921 90.0436 -209.372 16.6526 -67.5861 -206.997 -72.9034 -172.649 52.4701 PRESSAVG: 1713800 -16.2146 41.1124 13.8558 41.1123 45.2695 -7.28608 13.8559 -7.28604 15.9678 GPRESSAVG: 1713800 -16.68 39.83 13.3326 42.802 47.0312 -7.59697 14.0898 -7.95986 14.5731 TIMING: 1713800 CPU: 5099.14, 0.00299059/step Wall: 5099.14, 0.00299059/step, 2.72991 hours remaining, 206.769531 MB of memory in use. ENERGY: 1713800 741.9259 2047.5334 1953.3745 116.2678 -206207.5988 17840.0245 0.0000 0.0000 34119.1859 -149389.2868 297.9713 -183508.4726 -149294.1321 299.4318 -71.0802 -40.3456 559425.1069 15.0075 14.9748 PRESSURE: 1714000 -212.093 -37.802 86.98 -37.8015 194.047 98.7975 86.9789 98.7962 -83.3558 GPRESSURE: 1714000 -199.285 -9.52014 100.82 -74.1862 196.688 134.226 95.5392 -6.48602 -7.91837 PRESSAVG: 1714000 -18.4954 -29.4238 15.5614 -29.4237 4.54857 3.92606 15.5613 3.92613 -28.8927 GPRESSAVG: 1714000 -19.1808 -27.0137 17.4688 -31.2301 3.3849 4.65466 16.8344 1.20244 -26.891 TIMING: 1714000 CPU: 5099.73, 0.00297257/step Wall: 5099.73, 0.00297257/step, 2.71329 hours remaining, 206.769531 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: 1714000 779.4830 2057.8596 1940.4138 111.5643 -206426.0123 17962.8513 0.0000 0.0000 34069.2519 -149504.5885 297.5353 -183573.8404 -149409.8155 298.0818 -33.8003 -3.5049 559353.7895 -14.2798 -14.2290 PRESSURE: 1714200 52.1434 -46.2173 -21.2451 -46.2167 97.9083 -92.3863 -21.2441 -92.3871 151.745 GPRESSURE: 1714200 115.482 -20.5021 -93.2693 15.1032 77.0037 -86.6034 86.5031 -93.5222 191.517 PRESSAVG: 1714200 -37.3442 -13.507 -58.8663 -13.5068 45.593 -0.673135 -58.8663 -0.673265 14.2478 GPRESSAVG: 1714200 -37.6195 -15.6962 -58.6205 -11.4279 45.9552 -0.0570107 -61.3861 1.10151 13.5989 TIMING: 1714200 CPU: 5100.33, 0.00296939/step Wall: 5100.33, 0.00296939/step, 2.71023 hours remaining, 206.769531 MB of memory in use. ENERGY: 1714200 716.7293 2026.2260 1893.1944 114.1701 -206378.9059 17912.1563 0.0000 0.0000 34147.0857 -149569.3440 298.2150 -183716.4297 -149471.7522 298.4440 100.5990 128.0008 558111.2889 7.4989 7.3115 PRESSURE: 1714400 47.1543 28.504 30.1548 28.5049 63.4107 142.17 30.1542 142.17 -114.554 GPRESSURE: 1714400 75.0005 84.9031 41.5098 105.045 154.165 104.811 30.95 60.6069 -135.783 PRESSAVG: 1714400 15.7307 -7.86916 -2.13179 -7.86916 -2.16703 -13.981 -2.13176 -13.981 2.63361 GPRESSAVG: 1714400 16.6209 -6.40546 -3.3983 -7.23397 -3.32061 -15.8026 -0.111362 -13.2609 3.07572 TIMING: 1714400 CPU: 5100.93, 0.00300651/step Wall: 5100.93, 0.00300652/step, 2.74395 hours remaining, 206.769531 MB of memory in use. ENERGY: 1714400 757.8054 2004.3519 1943.1189 111.4964 -206259.9199 17986.9331 0.0000 0.0000 34052.3890 -149403.8251 297.3880 -183456.2142 -149308.7792 298.4572 -1.3297 31.1274 559426.6059 5.3991 5.4587 PRESSURE: 1714600 157.263 -64.6379 -80.538 -64.638 229.741 -52.2657 -80.5388 -52.268 233.082 GPRESSURE: 1714600 214.299 -59.0723 -142.36 -48.1539 204.92 -100.978 -114.998 -58.1587 290.699 PRESSAVG: 1714600 31.787 -18.2909 -2.74601 -18.2909 -39.6016 57.5674 -2.74602 57.5674 -10.8221 GPRESSAVG: 1714600 31.0567 -18.0393 -0.974051 -20.2146 -39.2136 59.2942 -2.93032 55.0035 -10.2826 TIMING: 1714600 CPU: 5101.52, 0.00297872/step Wall: 5101.52, 0.00297872/step, 2.71841 hours remaining, 206.769531 MB of memory in use. ENERGY: 1714600 740.2741 2067.5651 1957.9157 123.2439 -206417.4793 18183.1781 0.0000 0.0000 34059.2619 -149286.0405 297.4480 -183345.3024 -149187.2431 298.6676 206.6953 236.6393 558261.3241 -6.2123 -6.1465 PRESSURE: 1714800 -176.944 7.0116 -72.2852 7.01209 -153.333 96.7473 -72.2847 96.7481 -268.971 GPRESSURE: 1714800 -172.122 32.9844 -107.55 18.2115 -110.007 72.6377 -59.504 129.765 -226.08 PRESSAVG: 1714800 21.4331 0.0195924 -10.8924 0.019606 -0.251232 -3.97906 -10.8925 -3.97895 -20.8394 GPRESSAVG: 1714800 22.2174 -0.942834 -12.2851 -0.138973 -0.465398 -3.01512 -10.6563 -2.79457 -21.7963 TIMING: 1714800 CPU: 5102.12, 0.00297436/step Wall: 5102.12, 0.00297436/step, 2.71427 hours remaining, 206.769531 MB of memory in use. ENERGY: 1714800 755.9292 2054.3051 1927.8253 112.3804 -205958.7688 17598.6401 0.0000 0.0000 34360.3372 -149149.3514 300.0774 -183509.6887 -149048.3461 299.3114 -199.7494 -169.4030 559482.9243 0.1142 -0.0148 PRESSURE: 1715000 -243.193 -30.3414 -60.004 -30.3413 -174.932 -94.9191 -60.0035 -94.9191 -170.362 GPRESSURE: 1715000 -212.198 -20.6908 -9.21757 23.6882 -112.019 8.75993 -44.7423 -148.828 -169.94 PRESSAVG: 1715000 63.3236 -18.1269 7.85697 -18.127 -0.192574 4.81605 7.85692 4.81602 4.30967 GPRESSAVG: 1715000 63.1757 -19.317 8.20914 -18.204 0.0870176 2.94263 8.92011 5.17525 4.40387 TIMING: 1715000 CPU: 5102.71, 0.00298087/step Wall: 5102.71, 0.00298087/step, 2.72004 hours remaining, 206.769531 MB of memory in use. ENERGY: 1715000 774.5221 2121.9998 1937.6958 108.8793 -205828.9999 17591.5524 0.0000 0.0000 34288.7363 -149005.6142 299.4521 -183294.3505 -148905.2889 300.1452 -196.1622 -164.7190 557628.7056 22.4802 22.5555 PRESSURE: 1715200 149.829 136.554 28.8071 136.555 120.597 59.169 28.808 59.1696 100.334 GPRESSURE: 1715200 224.432 118.713 77.6898 128.753 134.853 39.8786 31.8341 69.7462 118.249 PRESSAVG: 1715200 29.0584 -11.5605 -35.7836 -11.5604 29.4308 23.2629 -35.7835 23.2629 -24.1602 GPRESSAVG: 1715200 29.4438 -12.5761 -35.8836 -11.9236 29.2383 21.6683 -36.6917 24.1029 -24.712 TIMING: 1715200 CPU: 5103.31, 0.00296676/step Wall: 5103.31, 0.00296676/step, 2.707 hours remaining, 206.769531 MB of memory in use. ENERGY: 1715200 769.8341 2124.0430 1944.0472 114.9214 -206232.6657 18028.9795 0.0000 0.0000 34494.4755 -148756.3649 301.2488 -183250.8404 -148660.7132 300.7294 123.5870 159.1781 556864.9733 11.4430 11.3234 PRESSURE: 1715400 -84.2058 219.05 213.277 219.049 -127.716 74.7629 213.276 74.7652 -72.7171 GPRESSURE: 1715400 -53.1212 241.793 153.319 97.2681 -76.6272 8.22256 257.629 83.9361 -59.0644 PRESSAVG: 1715400 0.339402 -9.01491 50.6931 -9.01494 7.88163 -34.9035 50.6932 -34.9036 -77.8596 GPRESSAVG: 1715400 -0.301598 -7.99048 49.6332 -7.26516 7.9768 -33.0123 50.5877 -36.4438 -77.3425 TIMING: 1715400 CPU: 5103.9, 0.00294612/step Wall: 5103.9, 0.00294612/step, 2.68801 hours remaining, 206.824219 MB of memory in use. ENERGY: 1715400 735.4887 2102.3239 1946.9974 129.0063 -205676.9745 17573.3932 0.0000 0.0000 34450.4791 -148739.2858 300.8646 -183189.7650 -148640.8894 300.8442 -94.8795 -62.9376 558988.0393 -23.2128 -23.2224 PRESSURE: 1715600 -224.217 -43.5487 -86.6627 -43.5486 41.5718 38.9568 -86.6628 38.9565 92.6362 GPRESSURE: 1715600 -179.544 3.30715 -110.677 -17.2041 104.447 114.626 -105.371 -20.7607 96.2056 PRESSAVG: 1715600 7.67927 20.0525 56.0062 20.0525 -46.1707 4.95792 56.0062 4.95781 22.9212 GPRESSAVG: 1715600 7.7366 20.8379 55.4587 19.2715 -46.3762 5.74736 55.2629 4.29535 23.3141 TIMING: 1715600 CPU: 5104.49, 0.00295897/step Wall: 5104.49, 0.00295897/step, 2.69957 hours remaining, 207.027344 MB of memory in use. ENERGY: 1715600 740.3331 2165.3520 1942.0785 106.4041 -205993.8959 17788.9102 0.0000 0.0000 34632.4601 -148618.3579 302.4539 -183250.8180 -148523.6688 301.3450 -30.0029 7.0363 558208.4704 -5.1901 -5.1085 PRESSURE: 1715800 -100.897 -84.538 130.481 -84.5375 -147.3 -52.3181 130.481 -52.3161 -33.7983 GPRESSURE: 1715800 -50.4825 -108.607 61.2798 -58.3988 -103.232 -14.3204 110.802 -18.3153 -30.6561 PRESSAVG: 1715800 -81.2953 -13.915 24.6778 -13.9149 12.5178 -50.3097 24.6778 -50.3097 53.0981 GPRESSAVG: 1715800 -82.8527 -14.7777 25.2622 -13.2001 12.715 -51.6108 26.0647 -46.9176 53.9133 TIMING: 1715800 CPU: 5105.08, 0.00294857/step Wall: 5105.08, 0.00294857/step, 2.68992 hours remaining, 207.027344 MB of memory in use. ENERGY: 1715800 770.6207 2040.7639 1945.1422 108.4046 -205659.7572 17702.9365 0.0000 0.0000 34275.2805 -148816.6089 299.3345 -183091.8894 -148723.9285 300.9269 -93.9985 -61.4569 558348.2989 -5.2265 -5.4081 PRESSURE: 1716000 36.3371 75.5473 97.4623 75.5461 64.7794 91.8929 97.4618 91.8921 86.219 GPRESSURE: 1716000 121.021 43.015 117.743 102.788 104.884 4.26596 56.8323 104.19 49.666 PRESSAVG: 1716000 -89.0895 -64.2453 32.518 -64.2452 -3.21449 -21.1773 32.518 -21.1773 84.609 GPRESSAVG: 1716000 -87.847 -62.8493 33.4075 -63.6286 -2.59865 -20.8419 31.451 -21.8604 82.5443 TIMING: 1716000 CPU: 5105.67, 0.00296982/step Wall: 5105.67, 0.00296982/step, 2.70914 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: 1716000 755.2214 2145.1939 1935.1869 114.1895 -205853.7911 17824.6435 0.0000 0.0000 34284.0551 -148795.3006 299.4112 -183079.3558 -148693.8577 300.8194 62.4452 91.8569 557486.5825 -2.5650 -2.6338 PRESSURE: 1716200 265.843 -21.7471 111.484 -21.7478 18.7626 -44.1909 111.485 -44.1922 392.948 GPRESSURE: 1716200 314.415 -9.9149 125.607 -39.1741 60.5191 11.6242 154.865 -81.9367 405.138 PRESSAVG: 1716200 -28.2919 45.3541 15.2203 45.3542 -6.22587 -12.9679 15.2204 -12.9678 8.05257 GPRESSAVG: 1716200 -28.8096 44.1974 15.1731 44.9742 -7.32896 -12.621 15.9162 -15.4091 9.57809 TIMING: 1716200 CPU: 5106.27, 0.00296592/step Wall: 5106.27, 0.00296592/step, 2.70541 hours remaining, 207.027344 MB of memory in use. ENERGY: 1716200 755.3594 2039.9745 1928.8926 109.3798 -206329.7140 18228.1950 0.0000 0.0000 34552.0206 -148715.8920 301.7514 -183267.9127 -148614.2330 301.0897 225.8510 260.0242 557933.3057 -8.8217 -8.8535 LDB: ============= START OF LOAD BALANCING ============== 5109.69 LDB: ============== END OF LOAD BALANCING =============== 5109.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5109.7 LDB: ============= START OF LOAD BALANCING ============== 5109.99 LDB: Largest compute 4821 load 0.025125 is 21.3% of average load 0.118013 LDB: Average compute 0.001711 is 1.5% of average load 0.118013 LDB: TIME 5110 LOAD: AVG 0.118013 MAX 0.200431 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 5110 LOAD: AVG 0.118013 MAX 0.200431 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.23 MB LDB: TIME 5110 LOAD: AVG 0.118013 MAX 0.200431 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5110 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5110 PRESSURE: 1716400 -132.373 141.293 21.541 141.293 -214.154 9.86779 21.5408 9.86821 -300.503 GPRESSURE: 1716400 -108.323 104.882 19.6723 70.9422 -172.189 -39.1883 -16.1174 116.251 -270.454 PRESSAVG: 1716400 24.1183 -5.37258 -47.2753 -5.37255 -26.5825 -17.5073 -47.2753 -17.5073 -20.6515 GPRESSAVG: 1716400 24.4131 -5.21188 -46.9749 -4.49446 -26.029 -16.9115 -46.5108 -17.6057 -21.7669 TIMING: 1716400 CPU: 5106.87, 0.00303488/step Wall: 5106.87, 0.00303488/step, 2.76814 hours remaining, 206.574219 MB of memory in use. ENERGY: 1716400 743.7045 2117.2237 1932.5596 108.5582 -205688.9376 17474.7219 0.0000 0.0000 34502.9193 -148809.2504 301.3226 -183312.1697 -148711.2372 300.0784 -215.6763 -183.6556 559660.2155 -7.7052 -7.7943 PRESSURE: 1716600 12.2785 -171.594 19.7162 -171.594 3.1441 34.1047 19.7176 34.1043 29.6075 GPRESSURE: 1716600 2.79462 -189.918 91.993 -149.728 -9.14961 0.087739 -40.0797 33.595 145.335 PRESSAVG: 1716600 16.8139 1.87608 20.6712 1.8762 40.9433 9.76953 20.6712 9.76952 -32.1336 GPRESSAVG: 1716600 17.4093 4.12309 20.6204 1.05305 39.8603 9.66441 17.3375 11.2694 -31.82 TIMING: 1716600 CPU: 5107.47, 0.00297837/step Wall: 5107.47, 0.00297837/step, 2.71644 hours remaining, 206.773438 MB of memory in use. ENERGY: 1716600 733.0396 2054.3244 1934.5863 104.3817 -205896.7899 17766.6506 0.0000 0.0000 34457.3978 -148846.4095 300.9250 -183303.8073 -148741.3632 300.5362 15.0100 46.3267 557852.2829 8.5412 8.4832 PRESSURE: 1716800 -114.416 -72.2702 -76.325 -72.2691 23.2031 69.1925 -76.3245 69.192 -55.4049 GPRESSURE: 1716800 -121.816 -105.728 -85.6284 -149.432 47.944 -3.23074 -75.7055 110.401 20.4248 PRESSAVG: 1716800 -1.33716 -31.5134 -30.9099 -31.5134 24.1327 48.0217 -30.9099 48.0217 13.8842 GPRESSAVG: 1716800 -2.05713 -35.0051 -31.1626 -29.0408 24.1018 48.3681 -27.747 47.682 14.0895 TIMING: 1716800 CPU: 5108.06, 0.00297071/step Wall: 5108.06, 0.00297071/step, 2.70929 hours remaining, 206.773438 MB of memory in use. ENERGY: 1716800 756.1632 2080.1961 1949.6989 111.8733 -205719.0467 17757.5902 0.0000 0.0000 34394.7027 -148668.8224 300.3775 -183063.5251 -148566.0007 300.0352 -48.8726 -17.8158 557701.8854 12.2266 12.0447 PRESSURE: 1717000 -195.458 -49.3938 -27.0367 -49.3941 98.6227 -94.1276 -27.0368 -94.127 -61.1938 GPRESSURE: 1717000 -87.5883 -88.1144 -90.633 -45.2937 96.7322 -94.8727 -39.9211 -60.7986 -77.3387 PRESSAVG: 1717000 -18.9731 -17.8344 14.2883 -17.8345 29.2295 -25.3836 14.2883 -25.3836 -46.4103 GPRESSAVG: 1717000 -17.6285 -13.9553 13.921 -19.7457 29.9002 -23.0377 12.4278 -27.3669 -48.0328 TIMING: 1717000 CPU: 5108.66, 0.00296721/step Wall: 5108.66, 0.00296721/step, 2.70593 hours remaining, 206.773438 MB of memory in use. ENERGY: 1717000 711.1088 2111.4742 1952.6773 112.5695 -205525.9682 17637.9457 0.0000 0.0000 34262.4540 -148737.7387 299.2225 -183000.1927 -148641.5624 299.6710 -52.6765 -22.7316 559299.0811 -12.0513 -11.9204 PRESSURE: 1717200 -131.327 90.9022 -148.631 90.9028 -256.015 -23.318 -148.631 -23.3178 -202.87 GPRESSURE: 1717200 -101.258 99.7943 -166.41 58.1223 -275.225 -0.900665 -178.636 -59.1288 -119.211 PRESSAVG: 1717200 -10.1101 36.3802 35.0709 36.3803 -54.6949 -6.05329 35.0709 -6.05337 53.5926 GPRESSAVG: 1717200 -10.7017 35.9926 34.1985 36.6501 -54.4263 -7.90888 37.2846 -4.12008 54.1105 TIMING: 1717200 CPU: 5109.25, 0.00296475/step Wall: 5109.25, 0.00296475/step, 2.70352 hours remaining, 206.773438 MB of memory in use. ENERGY: 1717200 754.4073 2053.8339 1953.5596 104.9113 -205503.4636 17387.9747 0.0000 0.0000 34480.7567 -148768.0201 301.1290 -183248.7768 -148672.7425 300.7989 -196.7376 -165.2314 559593.1067 -3.7375 -3.6725 PRESSURE: 1717400 15.657 178.918 -11.2489 178.918 23.1698 67.0057 -11.248 67.0047 -185.575 GPRESSURE: 1717400 31.8436 233.926 62.3939 229.29 37.7045 104.168 -50.4034 -5.75674 -123.92 PRESSAVG: 1717400 12.9889 80.9284 12.4879 80.9284 -33.9083 2.90096 12.4879 2.90102 5.54843 GPRESSAVG: 1717400 12.7322 79.7907 14.3441 78.916 -34.163 0.59314 11.416 2.75518 5.5755 TIMING: 1717400 CPU: 5109.84, 0.00295578/step Wall: 5109.84, 0.00295578/step, 2.69518 hours remaining, 206.773438 MB of memory in use. ENERGY: 1717400 734.3104 2109.2793 1939.1989 107.9343 -205930.7997 17714.1094 0.0000 0.0000 34394.1916 -148931.7759 300.3730 -183325.9675 -148830.2562 299.7639 -48.9162 -18.1240 558302.3910 -5.1237 -5.2851 PRESSURE: 1717600 74.3976 -21.3986 2.7064 -21.3977 115.86 -19.9351 2.7055 -19.935 535.22 GPRESSURE: 1717600 45.4177 36.9781 55.6597 -74.8844 202.423 64.4839 3.82314 -51.838 581.044 PRESSAVG: 1717600 29.7412 54.7642 16.2321 54.7642 -8.25731 -5.9636 16.2321 -5.9636 -19.532 GPRESSAVG: 1717600 28.6326 55.4541 17.2598 56.514 -7.04482 -4.09936 16.5939 -6.84195 -19.8717 TIMING: 1717600 CPU: 5110.43, 0.00295252/step Wall: 5110.43, 0.00295252/step, 2.69205 hours remaining, 206.773438 MB of memory in use. ENERGY: 1717600 732.1952 2013.4796 1947.8110 111.8547 -205965.6102 18096.9860 0.0000 0.0000 34144.6282 -148918.6556 298.1935 -183063.2838 -148824.2775 299.7157 241.8258 276.2948 556999.1076 0.6506 0.5720 PRESSURE: 1717800 13.7132 -14.4549 59.3299 -14.4561 268.883 -61.6079 59.3303 -61.6106 139.179 GPRESSURE: 1717800 99.3075 -28.2484 8.25125 44.2951 267.307 -41.0321 119.497 -60.6079 168.944 PRESSAVG: 1717800 69.8554 -72.849 8.56564 -72.849 -17.0683 -3.10555 8.56577 -3.10558 -56.0777 GPRESSAVG: 1717800 70.6766 -74.5605 6.08511 -72.299 -17.6231 -2.33411 8.68085 -3.03983 -56.3466 TIMING: 1717800 CPU: 5111.02, 0.00296975/step Wall: 5111.02, 0.00296975/step, 2.70758 hours remaining, 206.773438 MB of memory in use. ENERGY: 1717800 734.5387 2108.1563 1924.6250 99.9578 -206105.5369 18111.8368 0.0000 0.0000 34222.6480 -148903.7743 298.8749 -183126.4223 -148806.8933 299.8417 140.5917 178.5194 559053.4677 -1.0969 -1.0977 PRESSURE: 1718000 -20.7138 73.9524 -65.9503 73.9535 -335.821 140.937 -65.9512 140.937 -120.583 GPRESSURE: 1718000 9.14383 50.2306 -18.2158 56.0121 -304.88 191.556 -96.7613 116.519 -87.9582 PRESSAVG: 1718000 24.5441 -17.3232 -4.73637 -17.3232 -52.3132 7.08649 -4.73633 7.0865 -29.1445 GPRESSAVG: 1718000 23.0013 -16.8902 -5.21499 -17.2727 -51.8234 6.15789 -2.53878 7.30156 -28.0955 TIMING: 1718000 CPU: 5111.61, 0.00295079/step Wall: 5111.61, 0.00295079/step, 2.69014 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: 1718000 771.6199 2150.8198 1931.3136 99.2064 -206100.7196 17703.7050 0.0000 0.0000 34468.8972 -148975.1578 301.0255 -183444.0550 -148879.3569 299.7132 -159.0395 -127.8983 557762.2533 -18.9712 -18.9725 PRESSURE: 1718200 -260.858 105.843 3.33243 105.843 30.6276 141.462 3.33145 141.461 79.3389 GPRESSURE: 1718200 -213.243 75.1421 63.546 168.737 43.1478 128.853 -50.5153 178.63 122.21 PRESSAVG: 1718200 38.6736 -9.50013 -4.97224 -9.50006 -45.0032 41.9083 -4.97219 41.9082 -11.1172 GPRESSAVG: 1718200 40.4831 -9.3849 -4.22611 -9.0506 -46.2195 43.8159 -5.63056 39.7018 -12.2035 TIMING: 1718200 CPU: 5112.21, 0.00296172/step Wall: 5112.21, 0.00296172/step, 2.69994 hours remaining, 206.773438 MB of memory in use. ENERGY: 1718200 713.2730 2085.8709 1944.0792 105.2875 -205673.3319 17539.7523 0.0000 0.0000 34290.8246 -148994.2444 299.4703 -183285.0691 -148899.8877 299.5095 -50.2972 -15.9616 558089.9119 -5.8156 -5.9800 PRESSURE: 1718400 -257.995 38.1831 257.295 38.1842 -188.421 85.3507 257.296 85.3507 -236.888 GPRESSURE: 1718400 -249.499 17.5754 248.003 27.0937 -135.439 27.5566 214.526 77.0035 -199.108 PRESSAVG: 1718400 19.9239 9.20466 -39.1883 9.20472 -43.1341 7.73305 -39.1884 7.73298 30.9983 GPRESSAVG: 1718400 18.9824 8.36101 -39.8197 8.47221 -42.2689 6.42079 -41.117 10.7755 31.4652 TIMING: 1718400 CPU: 5112.8, 0.00298201/step Wall: 5112.8, 0.002982/step, 2.71826 hours remaining, 206.773438 MB of memory in use. ENERGY: 1718400 739.9872 2090.3221 1950.7593 98.7021 -205554.5080 17339.5617 0.0000 0.0000 34232.6284 -149102.5471 298.9621 -183335.1755 -149002.3693 299.4647 -227.7683 -194.6820 560104.1917 2.5960 2.7262 PRESSURE: 1718600 -53.3528 -9.07511 -109.706 -9.07513 8.32713 -233.563 -109.705 -233.562 -5.02635 GPRESSURE: 1718600 -26.9361 -46.1793 -168.837 -64.9072 21.7209 -187.566 -61.6089 -216.994 46.6545 PRESSAVG: 1718600 -60.3463 18.5147 36.2782 18.5146 -44.3821 10.1603 36.2783 10.1603 51.9909 GPRESSAVG: 1718600 -60.7245 18.9802 36.9615 17.9741 -44.8634 9.70123 35.8907 10.9832 52.5019 TIMING: 1718600 CPU: 5113.4, 0.0029811/step Wall: 5113.4, 0.0029811/step, 2.71727 hours remaining, 206.773438 MB of memory in use. ENERGY: 1718600 768.8287 2079.7247 1929.8173 106.2285 -205950.4839 17734.1347 0.0000 0.0000 34148.6863 -149183.0636 298.2290 -183331.7499 -149086.4371 299.4950 -16.6840 13.8131 557593.1720 -17.5792 -17.6953 PRESSURE: 1718800 -274.698 -181.042 186.935 -181.041 -40.1901 2.01156 186.935 2.01316 42.9477 GPRESSURE: 1718800 -219.878 -125.706 263.045 -173.43 -11.4123 38.1247 174.854 -14.0269 71.719 PRESSAVG: 1718800 -20.2245 -25.971 -41.936 -25.9709 -21.8454 -30.6519 -41.9361 -30.652 53.1978 GPRESSAVG: 1718800 -20.717 -26.7749 -40.9048 -24.8919 -20.9442 -30.4968 -40.6725 -33.0781 52.8647 TIMING: 1718800 CPU: 5114, 0.00299216/step Wall: 5114, 0.00299216/step, 2.72719 hours remaining, 206.773438 MB of memory in use. ENERGY: 1718800 755.5080 2136.3010 1952.3052 117.1229 -206045.3083 17675.1960 0.0000 0.0000 34246.2974 -149162.5779 299.0814 -183408.8753 -149063.2432 299.8641 -90.6470 -53.1906 557661.9847 3.7093 3.7345 PRESSURE: 1719000 -66.2788 -137.841 -70.6289 -137.841 -102.002 196.649 -70.6302 196.649 120.954 GPRESSURE: 1719000 -34.3484 -203.033 -90.9126 -114.687 -31.1598 126.963 -80.4096 94.3907 112.627 PRESSAVG: 1719000 -36.9094 -49.6204 -10.2243 -49.6204 -22.3331 38.4512 -10.2243 38.4512 71.0954 GPRESSAVG: 1719000 -34.9932 -48.9543 -12.9199 -51.9425 -23.5191 39.6911 -9.40138 39.0679 70.4618 TIMING: 1719000 CPU: 5114.59, 0.00297775/step Wall: 5114.59, 0.00297775/step, 2.71389 hours remaining, 206.773438 MB of memory in use. ENERGY: 1719000 743.5606 2082.9038 1931.1455 111.7172 -205885.0843 17618.0016 0.0000 0.0000 34166.4233 -149231.3324 298.3839 -183397.7557 -149136.9016 298.7702 -15.7756 15.7062 557583.3877 3.9510 3.9832 PRESSURE: 1719200 414.584 59.8736 4.07596 59.8749 -17.7283 112.516 4.07584 112.513 310.176 GPRESSURE: 1719200 428.087 19.6729 7.59797 61.6228 0.53533 105.035 -35.9278 112.767 386.419 PRESSAVG: 1719200 -6.75432 -41.4012 41.5145 -41.4012 50.6071 45.1316 41.5145 45.1317 -30.5499 GPRESSAVG: 1719200 -9.30561 -40.8929 43.8065 -40.7049 52.8776 44.5468 40.4464 44.8078 -30.8425 TIMING: 1719200 CPU: 5115.19, 0.00297129/step Wall: 5115.19, 0.00297129/step, 2.70784 hours remaining, 206.773438 MB of memory in use. ENERGY: 1719200 713.3023 2059.2879 1958.1690 114.5643 -206308.8596 18156.3715 0.0000 0.0000 34209.8628 -149097.3018 298.7632 -183307.1646 -149004.7308 299.2567 235.6771 271.6807 557298.1270 4.4343 4.2432 PRESSURE: 1719400 25.6419 -20.5815 -180.268 -20.5823 168.877 57.4304 -180.27 57.4299 -24.7054 GPRESSURE: 1719400 55.0784 -89.3665 -91.9008 -17.2477 224.098 59.6741 -144.119 47.615 0.392526 PRESSAVG: 1719400 4.92221 -48.821 -4.89087 -48.821 -59.4764 -57.5908 -4.89092 -57.5908 38.5933 GPRESSAVG: 1719400 5.76283 -48.7821 -5.02895 -47.6088 -60.2189 -59.0623 -5.00876 -57.7613 38.0451 TIMING: 1719400 CPU: 5115.78, 0.00297911/step Wall: 5115.78, 0.00297911/step, 2.71479 hours remaining, 206.773438 MB of memory in use. ENERGY: 1719400 738.2979 2076.5762 1953.1870 116.4033 -206239.5568 17837.1970 0.0000 0.0000 34335.7489 -149182.1466 299.8626 -183517.8955 -149084.9140 298.9885 56.6046 93.1898 556721.0654 -5.3203 -5.4703 PRESSURE: 1719600 -160.274 82.1239 -0.405197 82.1237 19.2099 -25.7478 -0.405843 -25.7475 147.487 GPRESSURE: 1719600 -133.439 20.0186 -0.294173 96.6908 78.0934 -105.947 -15.6837 56.495 164.279 PRESSAVG: 1719600 -58.702 23.8014 -46.5297 23.8014 38.6889 -40.786 -46.5296 -40.786 17.4595 GPRESSAVG: 1719600 -58.9481 22.8875 -46.888 26.4656 38.629 -41.4313 -46.7369 -39.2697 18.0733 TIMING: 1719600 CPU: 5116.38, 0.00295804/step Wall: 5116.38, 0.00295804/step, 2.69543 hours remaining, 206.773438 MB of memory in use. ENERGY: 1719600 782.8442 2133.1739 1947.9074 116.7035 -206051.7597 17787.3107 0.0000 0.0000 34251.1026 -149032.7174 299.1234 -183283.8200 -148944.3100 299.7424 2.1410 36.3112 555859.1642 -0.8512 -0.7486 PRESSURE: 1719800 -151.948 132.418 13.8115 132.419 29.6589 -24.4502 13.8108 -24.4494 151.72 GPRESSURE: 1719800 -145.195 111.889 -22.2888 159.032 57.8436 -59.8326 21.4886 -44.1576 215.582 PRESSAVG: 1719800 -74.6242 -12.7993 -17.5668 -12.7993 -23.8028 -11.2123 -17.5669 -11.2124 73.6946 GPRESSAVG: 1719800 -74.4835 -11.1434 -16.4779 -15.5529 -23.7302 -11.0146 -19.7827 -13.9053 74.2825 TIMING: 1719800 CPU: 5116.97, 0.00295756/step Wall: 5116.97, 0.00295756/step, 2.69483 hours remaining, 206.773438 MB of memory in use. ENERGY: 1719800 761.6084 2053.4701 1958.0269 129.6198 -206017.8249 17611.0030 0.0000 0.0000 34522.7737 -148981.3230 301.4960 -183504.0967 -148883.8486 300.4283 9.8103 42.7434 555935.6948 -8.2441 -7.9771 PRESSURE: 1720000 123.816 138.216 5.83448 138.216 -184.349 94.4423 5.83365 94.443 -131.497 GPRESSURE: 1720000 174.101 174.946 -17.6346 53.9737 -181.994 8.86814 14.3168 133.147 -103.643 PRESSAVG: 1720000 -74.7169 18.4263 -37.9904 18.4263 39.4798 3.29686 -37.9905 3.2968 21.4303 GPRESSAVG: 1720000 -73.5806 16.6036 -38.9573 18.42 38.7848 3.91063 -35.6418 4.19102 21.1231 TIMING: 1720000 CPU: 5117.56, 0.00296824/step Wall: 5117.56, 0.00296824/step, 2.70439 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: 1720000 718.7753 2089.9463 1939.8338 120.4305 -205695.1956 17468.6403 0.0000 0.0000 34416.8334 -148940.7360 300.5708 -183357.5694 -148849.3393 299.4915 -64.0099 -37.1786 557431.6269 -4.6023 -4.5576 PRESSURE: 1720200 -77.0762 -3.16164 -91.9991 -3.16125 135.314 -136.232 -91.9984 -136.231 -45.0318 GPRESSURE: 1720200 -45.7429 62.5026 -118.864 -2.00156 178.449 -57.4263 -30.718 -170.774 -17.5719 PRESSAVG: 1720200 -30.46 10.3471 -7.79288 10.3471 -16.5958 -35.8057 -7.79289 -35.8056 33.837 GPRESSAVG: 1720200 -30.4325 12.2757 -10.1781 11.3081 -16.7204 -36.1908 -6.06428 -34.8368 34.2273 TIMING: 1720200 CPU: 5118.15, 0.0029678/step Wall: 5118.15, 0.0029678/step, 2.70383 hours remaining, 206.773438 MB of memory in use. ENERGY: 1720200 736.2894 2138.1178 1929.0329 107.9624 -206056.3064 17795.8060 0.0000 0.0000 34272.2354 -149076.8625 299.3080 -183349.0979 -148974.6323 299.7401 4.4021 38.3780 558153.2098 -4.4063 -4.3085 LDB: ============= START OF LOAD BALANCING ============== 5121.58 LDB: ============== END OF LOAD BALANCING =============== 5121.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5121.58 LDB: ============= START OF LOAD BALANCING ============== 5121.88 LDB: Largest compute 4821 load 0.025610 is 21.7% of average load 0.118112 LDB: Average compute 0.001715 is 1.5% of average load 0.118112 LDB: TIME 5121.88 LOAD: AVG 0.118112 MAX 0.199858 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 5121.88 LOAD: AVG 0.118112 MAX 0.199858 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 5121.88 LOAD: AVG 0.118112 MAX 0.199858 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5121.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5121.89 PRESSURE: 1720400 -220.228 33.7133 -30.3276 33.7134 26.9385 -147.655 -30.3279 -147.656 150.43 GPRESSURE: 1720400 -192.501 18.7135 3.25899 -54.3124 36.5706 -113.772 -27.5549 -173.193 218.007 PRESSAVG: 1720400 -57.0172 1.9156 0.0745472 1.91555 12.6695 -55.7194 0.0744568 -55.7195 44.06 GPRESSAVG: 1720400 -57.3209 0.884516 2.9657 0.157716 13.1639 -54.1504 -1.12879 -57.2295 43.8249 TIMING: 1720400 CPU: 5118.76, 0.00303146/step Wall: 5118.76, 0.00303146/step, 2.76166 hours remaining, 205.667969 MB of memory in use. ENERGY: 1720400 757.6605 2181.3361 1963.5407 108.9262 -205849.3010 17630.9452 0.0000 0.0000 34328.4214 -148878.4709 299.7986 -183206.8922 -148793.4260 300.2794 -14.2865 20.6923 557782.8110 -0.0959 -0.1107 PRESSURE: 1720600 29.0249 2.08842 80.7647 2.08739 269.68 -113.375 80.7662 -113.374 -56.714 GPRESSURE: 1720600 82.1208 26.4408 53.6385 -91.4213 245.585 -16.8354 188.924 -178.139 2.50981 PRESSAVG: 1720600 24.52 40.4346 -3.86752 40.4345 8.69757 -57.7895 -3.86743 -57.7894 -28.6722 GPRESSAVG: 1720600 23.1562 41.255 -5.82036 41.1041 9.06197 -59.4115 -1.49435 -57.1326 -28.2776 TIMING: 1720600 CPU: 5119.35, 0.00297095/step Wall: 5119.35, 0.00297095/step, 2.70637 hours remaining, 205.871094 MB of memory in use. ENERGY: 1720600 752.0166 2117.0037 1953.6422 108.7771 -206021.2915 17767.6876 0.0000 0.0000 34456.0817 -148866.0826 300.9135 -183322.1643 -148769.4542 300.3643 80.6636 110.0720 557275.0142 1.5151 1.3135 PRESSURE: 1720800 162.836 5.16896 -62.7436 5.16929 -11.2753 201.63 -62.7422 201.629 -29.3713 GPRESSURE: 1720800 142.869 -32.0613 14.7463 9.50578 73.6995 110.675 -57.691 239.443 0.221995 PRESSAVG: 1720800 -28.0376 16.7277 -55.3177 16.7277 48.506 -3.67424 -55.3177 -3.67421 -17.9667 GPRESSAVG: 1720800 -27.6075 15.517 -54.4627 18.1284 49.8228 -3.93178 -57.5172 -4.0611 -19.1839 TIMING: 1720800 CPU: 5119.95, 0.00297457/step Wall: 5119.95, 0.00297457/step, 2.7095 hours remaining, 205.871094 MB of memory in use. ENERGY: 1720800 736.4080 2139.5763 1922.2705 114.1736 -206156.2326 17895.6146 0.0000 0.0000 34262.2514 -149085.9382 299.2208 -183348.1896 -148987.7478 299.6008 40.7297 72.2634 557415.1605 0.8339 1.0105 PRESSURE: 1721000 -255.187 -113.966 15.3913 -113.965 -220.211 -87.7264 15.3925 -87.7271 -77.9318 GPRESSURE: 1721000 -230.968 -143.563 86.291 -128.764 -204.587 -96.5777 0.129502 -100.231 -14.1496 PRESSAVG: 1721000 36.3757 -39.176 -9.13352 -39.1761 -49.6359 28.747 -9.13353 28.7469 -39.4977 GPRESSAVG: 1721000 36.8394 -39.6383 -9.58606 -39.4798 -50.8956 31.0197 -9.96205 27.8089 -38.8885 TIMING: 1721000 CPU: 5120.55, 0.00300467/step Wall: 5120.55, 0.00300467/step, 2.73676 hours remaining, 205.871094 MB of memory in use. ENERGY: 1721000 769.4997 2112.5069 1947.1751 113.2829 -205971.9526 17584.8625 0.0000 0.0000 34415.9379 -149028.6876 300.5629 -183444.6255 -148942.2043 299.5062 -184.4430 -149.9015 557947.9494 -17.5859 -17.6482 PRESSURE: 1721200 -73.1778 -13.7497 39.4799 -13.7498 -320.948 60.6431 39.4805 60.6453 58.5022 GPRESSURE: 1721200 -53.92 81.4749 5.75783 -48.3488 -298.456 100.948 95.317 76.1936 123.808 PRESSAVG: 1721200 -4.07655 -5.7338 13.8927 -5.73378 -22.8337 25.4645 13.8926 25.4647 19.9186 GPRESSAVG: 1721200 -4.2966 -1.28387 13.613 -8.65236 -22.7755 24.3472 14.6112 26.5028 20.4206 TIMING: 1721200 CPU: 5121.15, 0.00298674/step Wall: 5121.15, 0.00298674/step, 2.72026 hours remaining, 205.871094 MB of memory in use. ENERGY: 1721200 750.2458 2148.4709 1952.0636 113.0828 -205505.7295 17417.9056 0.0000 0.0000 34087.3232 -149036.6377 297.6931 -183123.9609 -148938.6459 300.4434 -111.8746 -76.1894 560015.3755 -2.3305 -2.2172 PRESSURE: 1721400 -315.336 -141.548 -25.4485 -141.548 -30.0831 126.109 -25.449 126.108 128.311 GPRESSURE: 1721400 -278.892 -86.7733 56.2264 -120.983 4.60942 181.914 -85.9013 63.2196 157.36 PRESSAVG: 1721400 8.66682 -22.8539 -21.231 -22.8538 -101.429 1.56995 -21.2308 1.56997 62.2776 GPRESSAVG: 1721400 8.9924 -25.1393 -19.9461 -21.4023 -100.951 -0.797981 -21.2026 2.22379 61.1655 TIMING: 1721400 CPU: 5121.74, 0.00298113/step Wall: 5121.74, 0.00298113/step, 2.71499 hours remaining, 205.871094 MB of memory in use. ENERGY: 1721400 739.8055 2106.4933 1939.1036 120.0142 -205936.5215 17736.6214 0.0000 0.0000 34367.5586 -148926.9250 300.1404 -183294.4836 -148830.0874 299.5781 -72.3694 -38.9743 558770.2761 -10.1615 -10.2645 PRESSURE: 1721600 -288.17 119.31 230.043 119.309 -122.286 120.533 230.043 120.533 -67.1679 GPRESSURE: 1721600 -257.82 202.188 309.567 154.5 -92.2879 103.466 175.604 99.9035 -37.4952 PRESSAVG: 1721600 -50.7172 14.7585 15.8683 14.7586 -6.24596 26.3254 15.8682 26.3255 40.7133 GPRESSAVG: 1721600 -51.545 14.0892 14.7336 15.7255 -6.70703 27.7053 17.3323 26.607 42.2964 TIMING: 1721600 CPU: 5122.34, 0.00296259/step Wall: 5122.34, 0.00296259/step, 2.69793 hours remaining, 205.871094 MB of memory in use. ENERGY: 1721600 783.1874 2136.1408 1955.9246 110.7017 -205686.9873 17687.3792 0.0000 0.0000 34099.3414 -148914.3124 297.7980 -183013.6537 -148827.3130 299.4026 -159.2080 -129.2010 557990.3477 -5.4166 -5.3185 PRESSURE: 1721800 -261.086 11.9217 78.5459 11.9205 -77.3371 -139.504 78.5448 -139.504 -152.011 GPRESSURE: 1721800 -218.03 -21.9151 54.7573 42.4169 -48.7455 -110.462 100.514 -158.237 -139.507 PRESSAVG: 1721800 31.2913 -30.3979 12.7892 -30.3978 -31.8323 65.8617 12.7893 65.8616 -10.8529 GPRESSAVG: 1721800 31.7867 -29.0823 12.9339 -31.4774 -31.2177 64.3545 10.697 66.5468 -11.7007 TIMING: 1721800 CPU: 5122.93, 0.00296424/step Wall: 5122.93, 0.00296424/step, 2.69927 hours remaining, 205.871094 MB of memory in use. ENERGY: 1721800 739.9731 2126.4829 1950.4837 102.5602 -205720.5484 17504.5504 0.0000 0.0000 34280.1166 -149016.3814 299.3768 -183296.4980 -148918.2041 299.7815 -163.4780 -135.4277 558291.9189 -3.7980 -3.7106 PRESSURE: 1722000 -139.12 -2.51199 38.8239 -2.51232 31.8929 -217.075 38.825 -217.076 -79.3498 GPRESSURE: 1722000 -113.721 -16.8457 -34.8645 45.174 69.0443 -199.561 21.8241 -171.771 -43.8993 PRESSAVG: 1722000 -20.059 -10.936 -35.9551 -10.9359 -6.51929 -20.5122 -35.9551 -20.5122 9.91649 GPRESSAVG: 1722000 -20.0055 -11.7815 -35.5949 -11.8099 -6.36092 -18.6436 -35.0736 -21.3239 9.92403 TIMING: 1722000 CPU: 5123.52, 0.00297148/step Wall: 5123.52, 0.00297148/step, 2.7057 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: 1722000 720.4959 2041.8048 1943.4443 127.7805 -206071.7000 17631.9809 0.0000 0.0000 34504.3172 -149101.8763 301.3348 -183606.1935 -149000.2726 299.3031 -62.1925 -29.5252 557466.7106 -5.5539 -5.4808 PRESSURE: 1722200 -206.304 -76.5263 -78.9339 -76.5262 -15.3191 -178.25 -78.9341 -178.25 -52.9121 GPRESSURE: 1722200 -153.935 -57.1037 -100.333 -71.6037 -0.031012 -223.968 -26.6664 -128.32 -18.9817 PRESSAVG: 1722200 6.34889 13.2501 -17.9456 13.2501 26.2576 -65.0484 -17.9456 -65.0484 -25.5958 GPRESSAVG: 1722200 5.93361 9.91853 -16.4596 15.8673 27.0577 -64.0679 -20.2377 -65.9713 -26.0526 TIMING: 1722200 CPU: 5124.11, 0.00294987/step Wall: 5124.11, 0.00294987/step, 2.68586 hours remaining, 205.871094 MB of memory in use. ENERGY: 1722200 730.4138 2117.8831 1943.3287 118.8442 -206073.5942 17689.5962 0.0000 0.0000 34136.5741 -149336.9542 298.1232 -183473.5283 -149238.2615 299.0231 -91.5119 -57.6493 556674.9498 2.3369 2.3129 PRESSURE: 1722400 150.671 183.715 60.8563 183.714 344.835 -39.8613 60.8563 -39.8608 203.687 GPRESSURE: 1722400 201.052 211.833 15.299 124.745 371.4 -62.0976 129.914 -98.9723 226.725 PRESSAVG: 1722400 -67.6849 39.0593 24.749 39.0594 88.2555 -20.1894 24.749 -20.1894 -15.7403 GPRESSAVG: 1722400 -68.2912 43.7833 24.5689 36.2396 87.3534 -22.0562 27.4742 -19.4247 -13.8682 TIMING: 1722400 CPU: 5124.71, 0.00296772/step Wall: 5124.71, 0.00296771/step, 2.70194 hours remaining, 205.871094 MB of memory in use. ENERGY: 1722400 725.8018 2062.7227 1955.1682 113.8629 -206586.8107 18037.3691 0.0000 0.0000 34252.8803 -149439.0056 299.1389 -183691.8860 -149344.1898 298.3069 233.0640 266.3923 555942.9215 1.6101 1.7314 PRESSURE: 1722600 114.699 67.5787 -51.3427 67.5779 -24.3165 -144.046 -51.341 -144.045 -318.157 GPRESSURE: 1722600 104.718 77.4491 30.1127 68.8422 6.16021 -131.148 -29.0402 -132.445 -251.618 PRESSAVG: 1722600 38.3945 20.3628 -19.0113 20.3627 -9.87877 -5.73235 -19.0113 -5.73226 -4.33422 GPRESSAVG: 1722600 40.5418 17.2239 -19.0954 21.4286 -11.1795 -4.03009 -19.9591 -7.65467 -5.20752 TIMING: 1722600 CPU: 5125.31, 0.00299515/step Wall: 5125.31, 0.00299515/step, 2.72675 hours remaining, 205.871094 MB of memory in use. ENERGY: 1722600 726.5448 2068.7051 1939.3306 113.0387 -206067.8970 17718.3951 0.0000 0.0000 34214.2881 -149287.5945 298.8019 -183501.8826 -149195.2546 298.2639 -75.9249 -46.9135 559268.6548 8.0605 8.0516 PRESSURE: 1722800 63.6617 154.5 290.294 154.5 7.60841 -72.8214 290.295 -72.8206 -70.9894 GPRESSURE: 1722800 82.7134 239.85 309.125 139.421 1.13108 -145.213 271.264 38.0767 -9.05633 PRESSAVG: 1722800 -29.7933 4.90507 19.2392 4.90497 93.6303 -43.7962 19.2392 -43.7963 -61.0306 GPRESSAVG: 1722800 -31.3076 7.34311 20.3373 3.93825 95.4935 -44.2873 15.7396 -42.0926 -61.9321 TIMING: 1722800 CPU: 5125.9, 0.00298227/step Wall: 5125.9, 0.00298227/step, 2.71486 hours remaining, 205.871094 MB of memory in use. ENERGY: 1722800 763.8861 2095.4283 1959.4977 98.3145 -206469.2670 17917.2943 0.0000 0.0000 34226.9583 -149407.8878 298.9125 -183634.8461 -149311.5916 298.4775 0.0936 24.9294 556635.5214 0.9355 0.7513 PRESSURE: 1723000 -267.003 77.0968 94.5828 77.0969 11.1936 14.5142 94.583 14.5133 -184.916 GPRESSURE: 1723000 -231.371 -45.7681 117.334 124.18 83.6175 82.3693 103.752 -59.8169 -204.16 PRESSAVG: 1723000 -13.5046 22.0434 31.7899 22.0434 69.3702 -1.14141 31.7899 -1.14132 -18.5255 GPRESSAVG: 1723000 -13.8824 20.204 30.4354 23.4405 67.7933 -1.67925 34.808 -1.45737 -16.4529 TIMING: 1723000 CPU: 5126.5, 0.00299279/step Wall: 5126.5, 0.00299279/step, 2.72427 hours remaining, 205.871094 MB of memory in use. ENERGY: 1723000 729.8895 2064.2564 1953.0035 99.0610 -206291.9768 17778.5205 0.0000 0.0000 34261.3505 -149405.8954 299.2129 -183667.2459 -149311.3962 298.5092 -146.9085 -117.3045 557708.9099 12.4467 12.4860 PRESSURE: 1723200 17.4973 -185.759 -37.0719 -185.759 -276.006 33.0835 -37.0717 33.0835 -176.295 GPRESSURE: 1723200 13.318 -125.869 6.90645 -104.532 -227.235 116.275 -59.4042 14.4494 -128.281 PRESSAVG: 1723200 -44.3865 -13.8158 44.2846 -13.8158 34.1133 3.19458 44.2845 3.19459 -5.91012 GPRESSAVG: 1723200 -43.9017 -15.0677 44.3363 -12.9984 35.145 2.89513 44.299 3.15587 -6.98832 TIMING: 1723200 CPU: 5127.1, 0.00299192/step Wall: 5127.1, 0.00299192/step, 2.72331 hours remaining, 205.871094 MB of memory in use. ENERGY: 1723200 771.7840 2071.0771 1956.7938 122.7279 -206690.2519 17892.5991 0.0000 0.0000 34259.5130 -149615.7570 299.1968 -183875.2700 -149514.5273 298.6882 -144.9347 -114.0658 556751.8978 -5.3945 -5.2484 PRESSURE: 1723400 4.29446 274.896 -5.09682 274.896 -207.009 -44.5935 -5.09692 -44.5947 -198.88 GPRESSURE: 1723400 6.40066 245.866 49.6209 294.8 -134.908 -19.5812 7.38112 14.904 -184.974 PRESSAVG: 1723400 -22.0525 22.4679 34.2606 22.4681 -3.29571 -32.3757 34.2606 -32.3758 23.7254 GPRESSAVG: 1723400 -21.1724 23.5999 31.0959 23.4486 -3.64602 -32.8268 34.6616 -32.863 23.1439 TIMING: 1723400 CPU: 5127.7, 0.00299021/step Wall: 5127.7, 0.00299021/step, 2.72159 hours remaining, 205.871094 MB of memory in use. ENERGY: 1723400 751.5705 2087.5001 1962.1654 99.6461 -206717.5541 17824.3601 0.0000 0.0000 34218.9228 -149773.3891 298.8424 -183992.3120 -149669.2923 298.6615 -133.8647 -104.4937 557875.8878 -0.5409 -0.5582 PRESSURE: 1723600 160.001 8.96019 81.1434 8.95938 184.131 -22.6792 81.1435 -22.6787 181.027 GPRESSURE: 1723600 217.806 50.4117 52.0116 68.7852 171.792 -18.4251 99.96 -67.2654 218.265 PRESSAVG: 1723600 -60.0488 64.8437 -11.9587 64.8437 57.8374 15.6002 -11.9586 15.6001 -26.952 GPRESSAVG: 1723600 -62.1918 64.2608 -8.47675 64.2208 59.7737 17.2068 -11.0604 15.043 -27.1717 TIMING: 1723600 CPU: 5128.3, 0.00299966/step Wall: 5128.3, 0.00299966/step, 2.73002 hours remaining, 205.871094 MB of memory in use. ENERGY: 1723600 737.2864 2117.6708 1955.8343 111.7709 -206947.7102 18079.7876 0.0000 0.0000 34114.2725 -149831.0877 297.9284 -183945.3601 -149732.8189 297.5581 175.0527 202.6210 557173.7381 -9.7212 -9.8633 PRESSURE: 1723800 286.711 -56.9527 -249.987 -56.9525 54.9661 97.171 -249.987 97.1712 16.0144 GPRESSURE: 1723800 297.049 -42.4207 -202.195 -112.249 115.718 7.8975 -245.534 172.147 42.7383 PRESSAVG: 1723800 52.4406 -3.05247 -22.8218 -3.05248 4.8687 5.87906 -22.8219 5.87901 -5.12575 GPRESSAVG: 1723800 53.6292 -2.85239 -25.1654 -1.64139 2.58617 6.28939 -22.3298 4.98205 -4.21706 TIMING: 1723800 CPU: 5128.89, 0.00297362/step Wall: 5128.89, 0.00297362/step, 2.70616 hours remaining, 205.871094 MB of memory in use. ENERGY: 1723800 730.6732 2080.3046 1940.9335 116.6466 -206640.8152 18056.4563 0.0000 0.0000 34038.9441 -149676.8570 297.2706 -183715.8010 -149583.2646 298.3041 119.2305 151.8351 556327.4546 17.3945 17.3328 PRESSURE: 1724000 57.1545 -92.8726 165.552 -92.8725 294.969 180.149 165.552 180.148 81.6801 GPRESSURE: 1724000 37.4484 -155.647 105.793 -54.7625 363.208 93.5712 116.858 178.168 139.329 PRESSAVG: 1724000 66.5782 -61.0309 -7.90876 -61.0309 37.3823 33.9792 -7.90879 33.9791 -88.9627 GPRESSAVG: 1724000 65.7135 -59.2828 -6.44046 -63.6832 38.6004 31.8044 -8.69201 34.3525 -89.2254 TIMING: 1724000 CPU: 5129.49, 0.00298506/step Wall: 5129.49, 0.00298506/step, 2.71641 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: 1724000 701.4200 2102.7579 1996.4433 122.0721 -206693.0296 18060.4836 0.0000 0.0000 34254.2449 -149455.6078 299.1508 -183709.8527 -149346.6749 297.9258 144.6011 179.9950 556322.6845 4.9993 5.0295 PRESSURE: 1724200 -316.874 -20.2704 59.547 -20.2702 49.1534 -87.2406 59.5474 -87.243 -79.6508 GPRESSURE: 1724200 -263.91 19.3158 113.785 -25.136 25.9066 -79.4991 -34.0685 -91.9871 -18.8351 PRESSAVG: 1724200 26.7607 -12.05 -23.4268 -12.0499 23.4233 23.2218 -23.4268 23.2218 -87.7093 GPRESSAVG: 1724200 27.0906 -13.8622 -21.7692 -10.0559 23.5577 22.5721 -24.3168 23.635 -88.8036 TIMING: 1724200 CPU: 5130.08, 0.00296957/step Wall: 5130.08, 0.00296957/step, 2.70214 hours remaining, 205.871094 MB of memory in use. ENERGY: 1724200 744.0099 2115.9937 1975.4572 110.8292 -206031.7157 17505.3894 0.0000 0.0000 34272.4655 -149307.5709 299.3100 -183580.0363 -149208.4692 298.9757 -115.7904 -85.6129 556928.8221 -12.5084 -12.7184 LDB: ============= START OF LOAD BALANCING ============== 5133.51 LDB: ============== END OF LOAD BALANCING =============== 5133.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5133.51 LDB: ============= START OF LOAD BALANCING ============== 5133.81 LDB: Largest compute 4821 load 0.025702 is 21.8% of average load 0.117986 LDB: Average compute 0.001722 is 1.5% of average load 0.117986 LDB: TIME 5133.81 LOAD: AVG 0.117986 MAX 0.19973 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.727 MB LDB: TIME 5133.82 LOAD: AVG 0.117986 MAX 0.19973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.727 MB LDB: TIME 5133.82 LOAD: AVG 0.117986 MAX 0.19973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.727 MB LDB: ============== END OF LOAD BALANCING =============== 5133.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5133.82 PRESSURE: 1724400 -40.6163 104.168 105.157 104.168 -87.1497 -18.5737 105.158 -18.5753 98.4736 GPRESSURE: 1724400 -27.5304 120.146 132.697 96.8925 -54.1393 -106.135 184.781 -75.3841 141.908 PRESSAVG: 1724400 26.5851 32.1188 19.9624 32.1188 -18.3777 -26.7524 19.9625 -26.7523 54.8801 GPRESSAVG: 1724400 26.5171 35.4486 17.8614 28.9386 -19.7649 -24.5063 19.2622 -26.5868 55.8334 TIMING: 1724400 CPU: 5130.69, 0.00304207/step Wall: 5130.69, 0.00304207/step, 2.76795 hours remaining, 206.632812 MB of memory in use. ENERGY: 1724400 692.2911 2159.3607 1931.3732 101.2317 -206111.0788 17777.2007 0.0000 0.0000 34241.2304 -149208.3910 299.0372 -183449.6214 -149110.7975 299.0404 -9.7641 20.0794 558864.7284 21.0292 20.8619 PRESSURE: 1724600 -74.2073 67.9141 -122.198 67.913 132.886 -95.3476 -122.198 -95.3455 -163.829 GPRESSURE: 1724600 9.90492 92.1007 -114.217 100.458 118.226 -70.4105 -116.12 -52.2636 -141.017 PRESSAVG: 1724600 -65.9228 77.9798 -33.4198 77.9798 66.6733 25.8285 -33.4198 25.8285 -19.2069 GPRESSAVG: 1724600 -66.708 74.3567 -35.033 79.6958 65.8102 23.2133 -31.0677 27.5233 -17.94 TIMING: 1724600 CPU: 5131.29, 0.00297831/step Wall: 5131.29, 0.00297831/step, 2.70976 hours remaining, 206.632812 MB of memory in use. ENERGY: 1724600 738.3975 2094.1870 1952.1033 107.7136 -206363.8474 17861.0235 0.0000 0.0000 34229.4379 -149380.9846 298.9342 -183610.4225 -149277.5985 299.2910 -35.0499 -4.2953 558315.8989 -6.1522 -6.2793 PRESSURE: 1724800 -21.241 104.384 19.1039 104.384 -29.4287 66.6056 19.101 66.605 -179.11 GPRESSURE: 1724800 34.781 99.108 26.0414 115.169 18.1452 -69.6646 30.9354 176.318 -190.499 PRESSAVG: 1724800 17.4012 31.086 4.80317 31.0859 13.1279 40.8947 4.80321 40.8947 -27.083 GPRESSAVG: 1724800 17.5484 35.0372 4.81952 28.3313 14.4639 41.9023 4.54078 39.2699 -27.9316 TIMING: 1724800 CPU: 5131.88, 0.00296036/step Wall: 5131.88, 0.00296036/step, 2.69327 hours remaining, 206.632812 MB of memory in use. ENERGY: 1724800 739.3345 2118.2019 1955.5527 113.6734 -206361.4948 17798.7691 0.0000 0.0000 34264.7370 -149371.2261 299.2425 -183635.9631 -149276.3332 299.2591 -76.5933 -45.8576 558133.6818 1.1487 1.3602 PRESSURE: 1725000 -34.6584 -237.412 15.2182 -237.41 147.426 -101.994 15.2182 -101.994 -134.493 GPRESSURE: 1725000 0.737652 -156.382 -16.4611 -270.286 211.746 -202.9 -21.0662 -88.9651 -124.048 PRESSAVG: 1725000 39.1795 -4.06279 5.62152 -4.06281 40.7068 19.7727 5.62148 19.7726 -58.4963 GPRESSAVG: 1725000 39.5461 -5.69524 7.21191 -1.25973 40.7964 17.0502 4.62453 22.4469 -58.997 TIMING: 1725000 CPU: 5132.48, 0.00299467/step Wall: 5132.48, 0.00299467/step, 2.72431 hours remaining, 206.632812 MB of memory in use. ENERGY: 1725000 748.4503 2090.3088 1950.0129 112.8081 -206340.8709 17859.8628 0.0000 0.0000 34295.3108 -149284.1171 299.5095 -183579.4279 -149192.1148 298.8554 -7.2417 29.4783 557531.8500 7.1300 7.1152 PRESSURE: 1725200 -125.504 55.0171 -6.53145 55.0175 93.4712 -26.4711 -6.53267 -26.4715 -81.8396 GPRESSURE: 1725200 -121.524 80.7392 4.70224 -44.0123 158.774 -14.6907 45.1913 30.4352 -58.4414 PRESSAVG: 1725200 -4.96761 -5.30087 43.9084 -5.30096 33.8313 44.7578 43.9085 44.7576 -36.6761 GPRESSAVG: 1725200 -5.86898 -5.11784 43.0402 -5.46964 33.0322 47.379 45.1744 41.861 -35.3788 TIMING: 1725200 CPU: 5133.08, 0.00299286/step Wall: 5133.08, 0.00299286/step, 2.72251 hours remaining, 206.632812 MB of memory in use. ENERGY: 1725200 766.6556 2095.5295 1967.4393 110.0716 -206124.1069 17845.7751 0.0000 0.0000 34029.4357 -149309.2000 297.1875 -183338.6357 -149210.8219 299.2108 -37.9576 -7.0636 557012.4163 -2.6041 -2.7385 PRESSURE: 1725400 179.195 -142.734 -78.6658 -142.734 -212.802 155.218 -78.6659 155.218 -121.152 GPRESSURE: 1725400 217.376 -66.0274 -142.183 -142.026 -200.461 51.584 -67.0183 253.874 -74.8246 PRESSAVG: 1725400 -7.49635 36.9862 -22.0054 36.9862 26.3564 -9.53025 -22.0054 -9.53022 -1.55616 GPRESSAVG: 1725400 -6.48607 36.1187 -20.9472 37.8677 26.5426 -7.46991 -22.954 -11.8175 -2.82118 TIMING: 1725400 CPU: 5133.68, 0.00299903/step Wall: 5133.68, 0.00299903/step, 2.72795 hours remaining, 206.632812 MB of memory in use. ENERGY: 1725400 706.2014 2100.8162 1939.1558 123.2573 -206189.0200 17687.5285 0.0000 0.0000 34313.3818 -149318.6790 299.6673 -183632.0608 -149210.4075 298.9026 -51.5863 -19.3034 556966.8299 5.7680 5.7451 PRESSURE: 1725600 -230.465 -85.3874 -68.7068 -85.3858 -246.245 -100.544 -68.7066 -100.544 -89.2234 GPRESSURE: 1725600 -182.106 -70.7932 -139.022 -2.75865 -251.825 -97.167 -5.24479 -70.3224 -34.6327 PRESSAVG: 1725600 19.4465 8.20888 -15.8807 8.20883 -7.72974 18.6474 -15.8807 18.6473 -1.00735 GPRESSAVG: 1725600 19.7207 7.94042 -14.658 7.73958 -8.6174 17.2945 -15.7645 21.5974 -0.534744 TIMING: 1725600 CPU: 5134.28, 0.00299228/step Wall: 5134.28, 0.00299228/step, 2.72165 hours remaining, 206.632812 MB of memory in use. ENERGY: 1725600 745.8061 2116.1148 1956.2942 93.3448 -205819.1610 17493.2604 0.0000 0.0000 34185.6258 -149228.7149 298.5516 -183414.3406 -149134.4465 299.0918 -188.6446 -156.1879 558469.3022 3.5698 3.5229 PRESSURE: 1725800 50.2178 -77.7599 -134.046 -77.7596 106.558 -50.6264 -134.046 -50.626 290.434 GPRESSURE: 1725800 89.2456 -81.5779 -140.76 -60.5039 152.776 -61.4322 -58.4271 -69.5142 302.219 PRESSAVG: 1725800 -53.579 -33.3675 -16.6411 -33.3674 38.8906 -22.2515 -16.6412 -22.2515 39.0125 GPRESSAVG: 1725800 -53.8141 -33.6544 -18.7502 -34.7301 39.8936 -21.9336 -17.2115 -24.6016 38.4645 TIMING: 1725800 CPU: 5134.87, 0.00298902/step Wall: 5134.87, 0.00298902/step, 2.71852 hours remaining, 206.632812 MB of memory in use. ENERGY: 1725800 720.7088 2098.1119 1975.4163 133.9284 -206374.6305 17926.3285 0.0000 0.0000 34238.5001 -149281.6366 299.0133 -183520.1366 -149188.2175 299.1452 149.0698 181.4135 557225.0843 8.1080 8.1813 PRESSURE: 1726000 -92.4501 -97.4519 51.3983 -97.4531 19.5181 71.7433 51.3987 71.742 -26.0014 GPRESSURE: 1726000 -32.3304 -126.995 15.3932 -84.9635 59.1601 66.7322 24.1513 50.8895 -29.4841 PRESSAVG: 1726000 -21.8575 7.97934 -17.1793 7.97937 -18.5055 -39.1487 -17.1793 -39.1487 -40.6185 GPRESSAVG: 1726000 -21.6455 8.08394 -16.0397 7.70413 -18.3889 -39.7302 -17.011 -35.8585 -40.9627 TIMING: 1726000 CPU: 5135.47, 0.00297664/step Wall: 5135.47, 0.00297664/step, 2.70709 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: 1726000 747.3989 2038.3830 1935.9317 111.9124 -205869.4375 17643.3513 0.0000 0.0000 34139.2154 -149253.2448 298.1463 -183392.4602 -149153.7946 298.3067 -32.9778 -0.8848 558101.9592 -26.9938 -26.9990 PRESSURE: 1726200 -95.7009 14.3217 -59.9558 14.3215 53.6793 -47.2078 -59.9565 -47.2086 74.298 GPRESSURE: 1726200 -20.8846 71.4411 -2.50265 36.8799 74.9726 -114.491 -14.6024 19.4062 80.3995 PRESSAVG: 1726200 -33.4081 -23.7096 -7.26142 -23.7097 -54.4753 13.8595 -7.2613 13.8596 83.2258 GPRESSAVG: 1726200 -33.923 -23.7634 -9.15406 -22.8739 -54.4087 13.4061 -5.99952 14.4103 83.6827 TIMING: 1726200 CPU: 5136.07, 0.00298636/step Wall: 5136.07, 0.00298636/step, 2.71576 hours remaining, 206.632812 MB of memory in use. ENERGY: 1726200 728.3172 2089.2754 1935.4067 117.2861 -206215.8288 17864.9327 0.0000 0.0000 34273.7453 -149206.8654 299.3211 -183480.6106 -149112.9062 298.7084 10.7588 44.8292 558547.5185 -1.5525 -1.5497 PRESSURE: 1726400 100.952 -103.252 4.95704 -103.253 -123.943 -62.3385 4.95698 -62.3371 131.356 GPRESSURE: 1726400 157.839 -74.6222 -73.2439 -147.814 -115.631 -84.1655 95.3753 -13.7687 144.38 PRESSAVG: 1726400 -9.42165 -57.2804 2.56921 -57.2805 -19.6671 -49.5625 2.56915 -49.5624 61.5379 GPRESSAVG: 1726400 -9.8825 -55.383 5.3169 -58.7711 -19.7156 -49.1948 0.782251 -48.765 61.3969 TIMING: 1726400 CPU: 5136.66, 0.00296388/step Wall: 5136.66, 0.00296388/step, 2.69516 hours remaining, 206.632812 MB of memory in use. ENERGY: 1726400 720.1821 2078.7737 1959.2509 115.9940 -205995.5235 17760.3177 0.0000 0.0000 34176.5414 -149184.4637 298.4722 -183361.0051 -149085.1361 299.1457 36.1217 62.1960 558559.1998 10.8164 10.5996 PRESSURE: 1726600 -58.3213 -49.3011 -17.9755 -49.2996 -265.995 -20.721 -17.9745 -20.7207 -81.693 GPRESSURE: 1726600 -70.4964 -35.4042 -15.6543 -24.249 -201.538 -63.0308 -24.0669 -0.897488 -48.7753 PRESSAVG: 1726600 42.2311 -101.683 -15.7037 -101.683 -22.963 -57.7362 -15.7037 -57.7363 -19.7503 GPRESSAVG: 1726600 42.4602 -105.301 -14.135 -100.139 -24.4589 -58.6686 -14.2327 -59.4747 -19.098 TIMING: 1726600 CPU: 5137.25, 0.00296713/step Wall: 5137.25, 0.00296713/step, 2.69795 hours remaining, 206.632812 MB of memory in use. ENERGY: 1726600 754.5561 2106.5162 1952.1963 107.2415 -206250.1828 17657.4010 0.0000 0.0000 34420.6141 -149251.6576 300.6038 -183672.2717 -149158.4914 298.9624 -135.3363 -106.9364 556284.5571 -0.1608 -0.3656 PRESSURE: 1726800 266.367 43.9939 -48.9834 43.9932 45.2184 -105.035 -48.9829 -105.035 181.27 GPRESSURE: 1726800 328.741 23.7523 46.1065 35.9858 100.372 -54.0651 -94.9313 -137.363 163.855 PRESSAVG: 1726800 -13.9332 -21.1491 -14.2412 -21.149 18.0156 -5.51702 -14.2412 -5.51701 0.0958828 GPRESSAVG: 1726800 -13.4103 -21.3045 -15.6931 -20.6516 17.5915 -5.54016 -14.8538 -5.95587 0.20664 TIMING: 1726800 CPU: 5137.85, 0.00297777/step Wall: 5137.85, 0.00297777/step, 2.70745 hours remaining, 206.632812 MB of memory in use. ENERGY: 1726800 738.2121 2070.5009 1941.9295 106.5845 -206389.2745 18002.2903 0.0000 0.0000 34495.8686 -149033.8886 301.2610 -183529.7572 -148940.7301 299.2527 164.2852 197.6560 555555.3663 1.3927 1.4626 PRESSURE: 1727000 -143.78 -7.1148 -61.6442 -7.11354 -142.635 -49.0494 -61.6432 -49.0501 -144.991 GPRESSURE: 1727000 -118.193 -68.7642 -27.191 43.024 -99.5446 -161.394 -59.2235 -6.31661 -111.022 PRESSAVG: 1727000 -11.8152 -6.46488 17.7793 -6.46495 35.2754 -36.1313 17.7793 -36.1313 32.3012 GPRESSAVG: 1727000 -13.839 -2.71425 17.4204 -10.6046 37.3965 -34.9439 18.3618 -33.4449 31.8156 TIMING: 1727000 CPU: 5138.44, 0.00297305/step Wall: 5138.44, 0.00297305/step, 2.70299 hours remaining, 206.632812 MB of memory in use. ENERGY: 1727000 734.1359 2053.5962 1942.6637 115.6009 -205962.8527 17610.4866 0.0000 0.0000 34425.0043 -149081.3650 300.6421 -183506.3693 -148984.9462 299.8462 -143.8023 -109.5865 556373.6902 18.5872 18.4577 PRESSURE: 1727200 -362.78 -78.6903 69.7149 -78.6915 -235.635 -131.09 69.7154 -131.09 131.624 GPRESSURE: 1727200 -281.316 -65.6935 60.0549 -115.141 -236.517 -128.772 100.488 -120.776 141.256 PRESSAVG: 1727200 10.4596 -62.5733 -79.1375 -62.5733 -14.3039 -1.07687 -79.1375 -1.07681 -19.5247 GPRESSAVG: 1727200 12.7857 -65.2629 -79.486 -61.1894 -15.2772 -0.371217 -78.7342 -3.1798 -20.9632 TIMING: 1727200 CPU: 5139.04, 0.00298296/step Wall: 5139.04, 0.00298296/step, 2.71184 hours remaining, 206.632812 MB of memory in use. ENERGY: 1727200 751.4168 2105.9582 1939.3066 113.2527 -205560.3732 17443.7023 0.0000 0.0000 34057.5487 -149149.1878 297.4330 -183206.7366 -149059.1930 299.6002 -155.5973 -125.5256 558323.8735 -7.7897 -7.8182 PRESSURE: 1727400 210.851 -144.236 -86.7601 -144.238 221.636 164.427 -86.7613 164.426 4.76438 GPRESSURE: 1727400 231.443 -68.0584 -122.952 -97.1763 261.25 154.923 -40.9666 203.409 48.775 PRESSAVG: 1727400 22.1987 -59.2417 8.34229 -59.2418 -11.4136 17.0642 8.34217 17.0642 -7.23182 GPRESSAVG: 1727400 21.2427 -56.2104 8.81153 -58.2614 -11.9781 15.0712 8.40287 18.1774 -5.47511 TIMING: 1727400 CPU: 5139.63, 0.00295115/step Wall: 5139.63, 0.00295115/step, 2.68276 hours remaining, 206.632812 MB of memory in use. ENERGY: 1727400 742.2881 2084.0785 1949.1572 94.1039 -206349.0823 18078.6689 0.0000 0.0000 34131.3312 -149269.4545 298.0774 -183400.7856 -149178.8025 299.8504 145.7505 180.4891 557039.4180 1.1845 1.2632 PRESSURE: 1727600 -76.2671 -77.3395 33.1052 -77.341 -149.179 82.7682 33.1053 82.7674 110.836 GPRESSURE: 1727600 -65.6999 38.5931 56.9647 -164.233 -89.39 80.1196 -5.55722 61.1228 140.477 PRESSAVG: 1727600 8.14883 -45.3492 -28.8483 -45.3491 30.9178 14.1039 -28.8484 14.104 -7.54513 GPRESSAVG: 1727600 8.35422 -47.1965 -29.5361 -47.0561 30.18 14.803 -27.2783 13.121 -7.10253 TIMING: 1727600 CPU: 5140.22, 0.00297341/step Wall: 5140.22, 0.00297341/step, 2.70283 hours remaining, 206.632812 MB of memory in use. ENERGY: 1727600 731.1845 2064.3518 1936.9839 112.9417 -206228.2080 17822.7344 0.0000 0.0000 34215.1438 -149344.8680 298.8094 -183560.0117 -149244.1160 299.4302 -38.2034 -4.8711 557132.6039 10.5072 10.4772 PRESSURE: 1727800 97.8409 65.3954 129.544 65.3953 359.087 -80.6344 129.544 -80.6336 11.8487 GPRESSURE: 1727800 134.602 -14.5237 91.0242 193.508 360.685 -160.276 120.492 -71.7541 59.0546 PRESSAVG: 1727800 -29.3561 -37.5029 -5.83175 -37.5029 40.6602 -15.373 -5.83173 -15.3732 24.6177 GPRESSAVG: 1727800 -28.7578 -38.1291 -3.35924 -35.5775 41.2413 -15.5992 -7.88917 -16.2524 23.2939 TIMING: 1727800 CPU: 5140.82, 0.00297472/step Wall: 5140.82, 0.00297472/step, 2.70386 hours remaining, 206.632812 MB of memory in use. ENERGY: 1727800 729.2927 2093.8095 1969.3275 99.8548 -206220.7343 17997.8368 0.0000 0.0000 34236.6118 -149094.0013 298.9968 -183330.6130 -148998.5627 299.2834 156.2588 184.7805 557456.4169 11.9739 11.9258 PRESSURE: 1728000 -132.066 15.8745 -31.3288 15.8744 96.5304 -45.5137 -31.3287 -45.513 -74.052 GPRESSURE: 1728000 -150.486 29.4059 10.0263 -33.4364 139.056 -128.881 -24.2413 38.7006 -10.1586 PRESSAVG: 1728000 -13.8215 -19.6236 -27.7158 -19.6236 50.0143 15.1008 -27.7158 15.1008 -32.7812 GPRESSAVG: 1728000 -14.1692 -19.0778 -28.0332 -17.4926 50.121 16.2416 -28.7083 16.402 -32.621 TIMING: 1728000 CPU: 5141.41, 0.00294758/step Wall: 5141.41, 0.00294758/step, 2.67903 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: 1728000 732.4654 2030.0061 1934.9808 131.6419 -206192.1984 17810.5933 0.0000 0.0000 34330.1537 -149222.3571 299.8138 -183552.5109 -149126.4518 299.8367 -36.5291 -7.1964 557304.1915 1.1372 1.1103 PRESSURE: 1728200 -46.5023 20.1563 -131.806 20.1566 -289.025 282.666 -131.807 282.666 -191.054 GPRESSURE: 1728200 -73.4573 -19.7669 -137.357 41.9856 -260.748 264.666 -62.0625 265.356 -94.4577 PRESSAVG: 1728200 -9.74538 19.5687 -49.1094 19.5687 101.944 46.1623 -49.1093 46.1624 2.33536 GPRESSAVG: 1728200 -8.87858 19.121 -51.4687 19.3034 101.415 44.3175 -46.3798 46.0257 1.92642 TIMING: 1728200 CPU: 5142, 0.0029775/step Wall: 5142, 0.0029775/step, 2.70606 hours remaining, 206.632812 MB of memory in use. ENERGY: 1728200 784.4002 2127.2513 1938.5152 109.6994 -206394.2024 17843.9283 0.0000 0.0000 34251.6840 -149338.7240 299.1285 -183590.4080 -149251.7394 299.1425 -175.5271 -142.8876 558296.8651 31.5112 31.4877 LDB: ============= START OF LOAD BALANCING ============== 5145.43 LDB: ============== END OF LOAD BALANCING =============== 5145.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5145.43 LDB: ============= START OF LOAD BALANCING ============== 5145.73 LDB: Largest compute 4847 load 0.024039 is 20.4% of average load 0.118013 LDB: Average compute 0.001720 is 1.5% of average load 0.118013 LDB: TIME 5145.73 LOAD: AVG 0.118013 MAX 0.19862 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 5145.73 LOAD: AVG 0.118013 MAX 0.19862 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.023 MB LDB: TIME 5145.73 LOAD: AVG 0.118013 MAX 0.19862 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.023 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5145.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5145.74 PRESSURE: 1728400 -32.2578 -27.9376 117.572 -27.9367 -158.385 35.5702 117.572 35.5691 15.5462 GPRESSURE: 1728400 19.0315 -11.0087 118.381 -9.63681 -179.654 34.2338 181.19 -34.9349 76.8933 PRESSAVG: 1728400 -29.9971 -64.2839 -10.5679 -64.2839 -26.6427 22.1272 -10.5679 22.1272 -4.97496 GPRESSAVG: 1728400 -30.9239 -64.6993 -8.52055 -65.2011 -26.2679 21.0888 -14.0742 22.4707 -4.41591 TIMING: 1728400 CPU: 5142.61, 0.0030248/step Wall: 5142.61, 0.0030248/step, 2.74887 hours remaining, 205.941406 MB of memory in use. ENERGY: 1728400 753.0822 2093.5534 1953.3264 110.5410 -206077.4237 17811.2441 0.0000 0.0000 34244.1662 -149111.5103 299.0628 -183355.6765 -149010.0838 298.3975 -58.3655 -27.9098 558616.4460 -20.5383 -20.5359 PRESSURE: 1728600 -83.1035 22.302 -84.7552 22.3014 -307.949 43.1897 -84.7543 43.1872 142.138 GPRESSURE: 1728600 -47.5471 45.026 -131.917 26.4912 -243.073 88.5962 -49.4139 23.5623 146.584 PRESSAVG: 1728600 29.4963 34.6135 -19.0166 34.6134 -29.281 3.20918 -19.0167 3.2092 -9.39546 GPRESSAVG: 1728600 28.8179 35.1975 -17.212 33.8688 -28.5379 6.13902 -19.2047 2.44626 -9.31482 TIMING: 1728600 CPU: 5143.2, 0.00297134/step Wall: 5143.2, 0.00297134/step, 2.70012 hours remaining, 205.941406 MB of memory in use. ENERGY: 1728600 776.6834 2084.8723 1929.1073 122.3409 -205742.8357 17598.3024 0.0000 0.0000 34421.4286 -148810.1008 300.6109 -183231.5294 -148716.1843 300.1844 -82.9714 -48.0121 557538.7976 -3.0601 -3.0116 PRESSURE: 1728800 56.0794 201.892 -81.363 201.893 -0.37477 149.343 -81.3629 149.344 -242.495 GPRESSURE: 1728800 95.142 52.0367 -66.5755 172.255 7.6733 104.56 -37.3321 141.057 -182.851 PRESSAVG: 1728800 -39.3929 -73.0944 -43.9841 -73.0944 44.661 -18.063 -43.9841 -18.063 -27.7039 GPRESSAVG: 1728800 -38.2126 -73.0149 -49.0903 -74.0249 45.1109 -17.9318 -39.8781 -16.1609 -28.734 TIMING: 1728800 CPU: 5143.8, 0.00298178/step Wall: 5143.8, 0.00298178/step, 2.70944 hours remaining, 205.941406 MB of memory in use. ENERGY: 1728800 684.2810 2132.2954 1949.5032 126.4875 -205375.9917 17342.5949 0.0000 0.0000 34284.9399 -148855.8898 299.4189 -183140.8297 -148759.0342 300.0811 -62.2635 -26.6787 556825.3752 -7.4786 -7.2786 PRESSURE: 1729000 -312.961 39.1782 -84.8672 39.1774 -53.9314 -59.2276 -84.8677 -59.2284 -237.801 GPRESSURE: 1729000 -331.618 16.8065 -134.456 98.7138 -10.6565 48.3388 -119.88 -5.44363 -158.039 PRESSAVG: 1729000 -2.06189 49.9125 13.6218 49.9125 -3.18726 -68.372 13.6217 -68.372 22.4745 GPRESSAVG: 1729000 -1.99105 50.3761 18.1735 51.5045 -5.19604 -69.8948 10.1936 -69.9536 23.9888 TIMING: 1729000 CPU: 5144.39, 0.00296625/step Wall: 5144.39, 0.00296625/step, 2.69516 hours remaining, 205.941406 MB of memory in use. ENERGY: 1729000 787.6999 2056.3645 1933.6968 109.8441 -205603.0194 17578.1056 0.0000 0.0000 34494.6518 -148642.6566 301.2504 -183137.3084 -148545.6659 300.3109 -201.5644 -166.7712 559276.2282 5.7418 5.6006 PRESSURE: 1729200 -25.8077 -117.176 -132.464 -117.176 -312.932 -143.529 -132.463 -143.53 -86.4973 GPRESSURE: 1729200 -7.23998 -181.056 -94.8707 -48.7181 -257.535 -161.701 -105.758 -193.219 -80.102 PRESSAVG: 1729200 93.9519 21.9013 11.9328 21.9013 -55.3434 -56.3217 11.9329 -56.3218 -56.3228 GPRESSAVG: 1729200 94.2331 21.399 10.0413 20.9482 -54.3368 -56.1892 15.078 -55.9147 -56.942 TIMING: 1729200 CPU: 5144.99, 0.00299617/step Wall: 5144.99, 0.00299617/step, 2.72219 hours remaining, 205.941406 MB of memory in use. ENERGY: 1729200 763.6126 2108.6561 1921.1347 108.5788 -205628.4194 17765.4126 0.0000 0.0000 34272.1844 -148688.8402 299.3075 -182961.0246 -148592.3267 300.3743 -141.7456 -114.9591 558780.1691 -5.9048 -5.6819 PRESSURE: 1729400 176.825 11.761 -66.3386 11.7612 89.4342 -123.469 -66.3391 -123.47 197.946 GPRESSURE: 1729400 193.713 -90.9265 -98.0688 79.0673 122.911 -28.2711 -69.124 -78.2754 243.337 PRESSAVG: 1729400 6.6234 6.38587 -47.8802 6.38591 -20.3284 19.1297 -47.8802 19.1297 27.9378 GPRESSAVG: 1729400 7.07769 7.30303 -46.9562 6.02789 -20.3799 18.3467 -49.7892 22.0963 27.623 TIMING: 1729400 CPU: 5145.59, 0.00296793/step Wall: 5145.59, 0.00296793/step, 2.69636 hours remaining, 205.941406 MB of memory in use. ENERGY: 1729400 738.0626 2157.8902 1944.6154 109.2542 -206041.0666 17961.7729 0.0000 0.0000 34566.6487 -148562.8225 301.8791 -183129.4712 -148473.5178 301.0553 154.7348 186.6536 557135.7757 4.7442 4.7736 PRESSURE: 1729600 152.051 19.7139 75.4002 19.714 -2.88731 63.0784 75.4007 63.0763 70.4925 GPRESSURE: 1729600 131.648 -45.3585 42.3455 35.9183 50.8738 81.2059 95.7041 111.906 142.38 PRESSAVG: 1729600 -8.33156 -10.052 -12.5986 -10.052 -17.2841 10.8936 -12.5985 10.8937 18.4284 GPRESSAVG: 1729600 -8.11013 -8.02261 -14.3444 -9.58748 -18.1715 13.2799 -11.9056 8.22979 19.0233 TIMING: 1729600 CPU: 5146.17, 0.00294343/step Wall: 5146.17, 0.00294343/step, 2.67394 hours remaining, 205.941406 MB of memory in use. ENERGY: 1729600 712.7943 2095.6263 1935.7391 117.2559 -205837.3940 17741.3965 0.0000 0.0000 34533.1309 -148701.4510 301.5864 -183234.5819 -148608.3274 300.3342 73.2188 108.3006 556971.4067 -2.3958 -2.4194 PRESSURE: 1729800 113.653 -107.921 -91.9503 -107.921 366.208 104.425 -91.9491 104.425 194.466 GPRESSURE: 1729800 144.756 -136.323 -0.172618 -74.228 379.631 140.449 -124.139 26.5892 254.023 PRESSAVG: 1729800 9.38573 17.525 -37.1054 17.5249 12.6565 1.40267 -37.1054 1.40263 1.74743 GPRESSAVG: 1729800 8.26649 17.5514 -37.0062 16.5681 13.5741 0.68881 -37.8458 0.637895 1.3297 TIMING: 1729800 CPU: 5146.77, 0.00296217/step Wall: 5146.77, 0.00296217/step, 2.6908 hours remaining, 205.941406 MB of memory in use. ENERGY: 1729800 781.5912 2107.1913 1940.6915 103.7507 -206700.1705 18240.8257 0.0000 0.0000 34522.0066 -149004.1136 301.4893 -183526.1202 -148913.2445 300.1595 224.7755 259.4701 556865.3826 7.9299 7.7234 PRESSURE: 1730000 -44.2829 22.7189 59.9089 22.7178 -1.57191 45.994 59.9089 45.9947 -21.1319 GPRESSURE: 1730000 2.17789 -31.8371 7.50308 61.917 23.0323 1.30504 14.8423 42.4072 2.15566 PRESSAVG: 1730000 -62.8438 9.49386 9.25867 9.49392 21.4768 10.3009 9.25862 10.3007 -14.7926 GPRESSAVG: 1730000 -63.5947 10.2445 9.43416 9.75631 22.8797 10.3964 10.8564 11.0696 -15.1979 TIMING: 1730000 CPU: 5147.36, 0.00295777/step Wall: 5147.36, 0.00295777/step, 2.68664 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: 1730000 737.5286 2094.7042 1954.8250 107.9023 -206145.1435 17720.9278 0.0000 0.0000 34557.4390 -148971.8166 301.7987 -183529.2556 -148870.6589 300.4751 -22.3289 9.1219 557122.5911 -18.7199 -18.6376 PRESSURE: 1730200 193.22 -74.0677 141.724 -74.0694 -104.073 144.211 141.723 144.211 -128.823 GPRESSURE: 1730200 196.175 -40.1751 218.759 -61.8727 -81.2459 142.222 123.593 124.182 -61.9231 PRESSAVG: 1730200 -26.4851 25.9662 61.3238 25.9662 -6.94197 28.2442 61.3239 28.2443 20.7077 GPRESSAVG: 1730200 -24.5535 24.0141 61.846 27.3279 -7.05444 29.294 59.5797 27.7982 19.8084 TIMING: 1730200 CPU: 5147.96, 0.00299166/step Wall: 5147.96, 0.00299166/step, 2.71726 hours remaining, 205.941406 MB of memory in use. ENERGY: 1730200 759.3567 2142.0238 1956.7543 132.6235 -206141.8929 17750.0487 0.0000 0.0000 34325.9678 -149075.1182 299.7772 -183401.0860 -148979.5785 300.1269 -13.2254 17.6687 556087.7899 -4.2398 -3.9332 PRESSURE: 1730400 -288.489 41.0024 -130.886 41.0019 44.4938 72.5073 -130.887 72.5092 -47.5715 GPRESSURE: 1730400 -260.695 55.0899 -122.387 52.0462 47.9414 30.6367 -73.7932 36.8044 23.992 PRESSAVG: 1730400 -18.2558 -13.6306 4.81923 -13.6306 33.2256 62.3964 4.81923 62.3965 49.4476 GPRESSAVG: 1730400 -18.4778 -13.8649 5.64697 -15.6605 31.9914 61.5856 6.00023 63.0995 50.6 TIMING: 1730400 CPU: 5148.55, 0.00297967/step Wall: 5148.55, 0.00297967/step, 2.7062 hours remaining, 205.941406 MB of memory in use. ENERGY: 1730400 767.7198 2161.6821 1935.5547 117.1450 -205801.0138 17485.3682 0.0000 0.0000 34333.1458 -149000.3981 299.8399 -183333.5439 -148909.3491 300.0103 -97.1887 -62.9204 556252.9220 21.4725 21.3712 PRESSURE: 1730600 -34.0868 -71.1246 -19.745 -71.1253 -137.334 27.3823 -19.7463 27.3831 -67.4063 GPRESSURE: 1730600 19.39 -146.98 -73.4411 -13.5078 -95.6245 -2.13185 35.3127 70.719 -56.0095 PRESSAVG: 1730600 -6.89877 18.4588 14.2409 18.4588 -19.1367 12.0553 14.2408 12.0553 -2.80461 GPRESSAVG: 1730600 -7.88736 19.2707 13.6835 19.3069 -18.7076 10.5691 15.0758 12.0996 -2.68252 TIMING: 1730600 CPU: 5149.14, 0.00295329/step Wall: 5149.14, 0.00295329/step, 2.68208 hours remaining, 205.941406 MB of memory in use. ENERGY: 1730600 710.2020 2100.4895 1961.9652 122.2593 -205584.6726 17450.5567 0.0000 0.0000 34184.3973 -149054.8026 298.5408 -183239.1998 -148957.6144 299.8854 -79.6089 -44.0813 556486.2589 -9.6134 -9.7592 PRESSURE: 1730800 184.318 145.735 9.85571 145.735 154.463 58.6889 9.85516 58.6888 109.115 GPRESSURE: 1730800 194.321 149.883 -12.6262 75.6454 156.449 110.789 37.0647 9.76997 194.063 PRESSAVG: 1730800 15.8355 -16.0777 46.7404 -16.0777 40.0568 -0.84631 46.7404 -0.846391 -51.966 GPRESSAVG: 1730800 16.8382 -16.8255 44.5866 -16.8346 40.1008 0.124401 46.5541 -1.53057 -52.9572 TIMING: 1730800 CPU: 5149.74, 0.00296825/step Wall: 5149.74, 0.00296825/step, 2.6955 hours remaining, 205.941406 MB of memory in use. ENERGY: 1730800 770.8547 2139.0842 1926.9933 121.3341 -206051.6211 17954.7386 0.0000 0.0000 34203.3342 -148935.2820 298.7062 -183138.6161 -148842.8539 299.8561 149.2989 181.6112 557392.9353 1.3088 1.3273 PRESSURE: 1731000 -4.00941 -123.533 119.952 -123.532 102.737 37.1429 119.952 37.1447 -105.188 GPRESSURE: 1731000 24.8296 -132.563 116.04 -103.239 142.309 -52.1193 152.073 61.368 -79.5398 PRESSAVG: 1731000 -60.0446 -39.8754 22.0151 -39.8754 18.2607 -0.149706 22.015 -0.149569 -21.822 GPRESSAVG: 1731000 -61.1378 -39.4895 22.4687 -38.3095 18.1732 -1.13813 23.2251 -0.809492 -20.888 TIMING: 1731000 CPU: 5150.34, 0.00299598/step Wall: 5150.34, 0.00299598/step, 2.72051 hours remaining, 205.941406 MB of memory in use. ENERGY: 1731000 743.1274 2178.4736 1907.5014 119.2605 -205639.4016 17715.9556 0.0000 0.0000 34124.6273 -148850.4558 298.0189 -182975.0832 -148751.6668 300.2757 -2.1535 29.1997 558590.6698 -21.2020 -21.2842 PRESSURE: 1731200 -69.787 -70.337 83.1846 -70.3368 -133.67 -38.7577 83.1834 -38.7568 91.946 GPRESSURE: 1731200 -111.009 -49.6165 122.431 -148.724 -1.02813 -55.4591 90.9132 25.9934 89.6518 PRESSAVG: 1731200 -21.9215 -82.9299 10.8934 -82.9299 67.6779 -60.6561 10.8934 -60.6562 -4.73947 GPRESSAVG: 1731200 -21.3349 -84.8327 11.4685 -82.1344 68.0615 -60.5701 8.94523 -59.6139 -5.64435 TIMING: 1731200 CPU: 5150.93, 0.00299195/step Wall: 5150.93, 0.00299195/step, 2.71669 hours remaining, 205.941406 MB of memory in use. ENERGY: 1731200 744.3222 2143.8403 1968.6691 126.9218 -205832.8888 17717.8216 0.0000 0.0000 34316.7799 -148814.5340 299.6970 -183131.3139 -148723.3559 300.3719 -37.1704 -7.4619 559086.2584 13.6723 13.6941 PRESSURE: 1731400 -5.53567 66.5072 62.3817 66.5069 51.2054 117.05 62.383 117.05 -83.274 GPRESSURE: 1731400 -0.583953 119.156 24.2632 54.4273 83.9973 139.527 53.3818 68.2208 -27.2671 PRESSAVG: 1731400 -8.14863 -25.8193 -5.42423 -25.8193 29.022 -10.2232 -5.42419 -10.2232 -15.6626 GPRESSAVG: 1731400 -8.7395 -26.2951 -3.58135 -27.4424 28.4672 -10.6253 -5.08896 -10.5159 -14.8735 TIMING: 1731400 CPU: 5151.53, 0.00297808/step Wall: 5151.53, 0.00297808/step, 2.70393 hours remaining, 205.941406 MB of memory in use. ENERGY: 1731400 746.5600 2073.1671 1959.3642 116.5096 -205540.3753 17743.4837 0.0000 0.0000 34042.9725 -148858.3183 297.3057 -182901.2907 -148766.8446 300.7133 -12.5348 18.7154 558640.2208 1.7369 1.6181 PRESSURE: 1731600 -147.305 30.1728 5.41682 30.1732 -310.472 25.1074 5.41708 25.1077 -174.199 GPRESSURE: 1731600 -85.4175 12.0492 57.0552 35.2214 -238.663 50.7887 -74.6827 12.3982 -208.596 PRESSAVG: 1731600 -27.0301 14.1951 32.5746 14.1951 3.96105 33.0852 32.5746 33.0852 25.531 GPRESSAVG: 1731600 -27.8761 15.966 32.1306 14.2438 4.98219 33.7069 32.2287 32.8556 25.4587 TIMING: 1731600 CPU: 5152.12, 0.00295004/step Wall: 5152.12, 0.00295004/step, 2.67831 hours remaining, 205.941406 MB of memory in use. ENERGY: 1731600 757.5577 2129.1700 1961.7164 108.5786 -205724.6645 17412.7746 0.0000 0.0000 34364.4368 -148990.4304 300.1132 -183354.8672 -148897.2325 300.9370 -210.6586 -177.5587 557000.6801 0.8206 0.8549 PRESSURE: 1731800 -129.191 -113.4 -57.7008 -113.401 -122.707 53.1635 -57.7006 53.1636 -238.551 GPRESSURE: 1731800 -115.912 -57.1904 -88.2293 -98.4486 -73.9707 91.7006 -43.8017 29.5772 -208.164 PRESSAVG: 1731800 18.813 -26.7778 32.8486 -26.7778 -14.2578 -12.4228 32.8486 -12.4229 41.6346 GPRESSAVG: 1731800 19.9982 -27.7973 33.0463 -25.0371 -14.8499 -11.6678 31.9041 -13.5423 41.3107 TIMING: 1731800 CPU: 5152.71, 0.0029464/step Wall: 5152.71, 0.00294639/step, 2.67484 hours remaining, 205.941406 MB of memory in use. ENERGY: 1731800 755.7055 2052.2148 1963.6205 108.5368 -205796.9522 17569.8025 0.0000 0.0000 34251.2546 -149095.8174 299.1247 -183347.0720 -148999.5929 299.8420 -163.4830 -132.6823 558139.2766 15.3966 15.4863 PRESSURE: 1732000 512.12 86.0861 -82.6481 86.087 532.194 -88.4845 -82.6479 -88.4852 121.943 GPRESSURE: 1732000 483.487 71.8444 -41.9663 40.4278 568.203 -52.2195 -112.719 -121.021 216.491 PRESSAVG: 1732000 -65.4344 -36.3145 15.9252 -36.3145 40.1173 -19.3936 15.9254 -19.3934 53.0878 GPRESSAVG: 1732000 -65.4113 -33.9319 16.0389 -39.4032 39.9943 -20.4356 17.4903 -17.8855 53.233 TIMING: 1732000 CPU: 5153.29, 0.00292792/step Wall: 5153.29, 0.00292792/step, 2.6579 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: 1732000 749.3162 1993.8534 1967.1397 108.7561 -206799.9296 18371.0320 0.0000 0.0000 34437.7675 -149172.0647 300.7536 -183609.8322 -149067.5881 299.4414 388.7525 422.7268 555954.0484 9.2569 9.2720 PRESSURE: 1732200 334.092 -83.8551 -1.23586 -83.8555 55.4573 12.2288 -1.23528 12.2277 89.3276 GPRESSURE: 1732200 342.217 -219.026 -14.8277 5.05699 133.914 43.4455 10.3901 28.1965 114.671 PRESSAVG: 1732200 -22.2361 -28.6658 72.5675 -28.6659 21.279 7.82318 72.5674 7.82313 22.6423 GPRESSAVG: 1732200 -23.2248 -30.5138 71.5503 -29.0012 22.5943 7.94734 72.9142 7.94055 22.2703 TIMING: 1732200 CPU: 5153.88, 0.00293444/step Wall: 5153.88, 0.00293444/step, 2.66365 hours remaining, 205.941406 MB of memory in use. ENERGY: 1732200 754.6036 2111.8842 1955.2192 110.8397 -206419.6788 18176.2037 0.0000 0.0000 34142.7973 -149168.1310 298.1775 -183310.9283 -149069.2137 299.5835 159.6258 196.9342 557601.0074 7.2284 7.2133 LDB: ============= START OF LOAD BALANCING ============== 5157.31 LDB: ============== END OF LOAD BALANCING =============== 5157.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5157.31 LDB: ============= START OF LOAD BALANCING ============== 5157.61 LDB: Largest compute 4821 load 0.023002 is 19.5% of average load 0.118022 LDB: Average compute 0.001715 is 1.5% of average load 0.118022 LDB: TIME 5157.61 LOAD: AVG 0.118022 MAX 0.198351 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 5157.61 LOAD: AVG 0.118022 MAX 0.198351 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.914 MB LDB: TIME 5157.61 LOAD: AVG 0.118022 MAX 0.198351 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.914 MB LDB: ============== END OF LOAD BALANCING =============== 5157.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5157.61 PRESSURE: 1732400 132.622 -121.525 -82.4186 -121.524 96.3891 -5.14147 -82.4174 -5.14053 301.796 GPRESSURE: 1732400 185.425 -107.823 -8.75098 -45.1809 58.4735 -14.151 -25.9768 31.0605 378.722 PRESSAVG: 1732400 -49.4722 -51.7589 -14.957 -51.7588 62.546 -27.6404 -14.957 -27.6405 -30.6134 GPRESSAVG: 1732400 -50.1197 -52.3112 -13.6921 -48.6072 60.6737 -26.5911 -15.7674 -28.0813 -27.88 TIMING: 1732400 CPU: 5154.49, 0.00301904/step Wall: 5154.49, 0.00301904/step, 2.74028 hours remaining, 206.324219 MB of memory in use. ENERGY: 1732400 736.0657 2102.5383 1967.3804 111.9231 -206293.1840 17921.9764 0.0000 0.0000 34234.9398 -149218.3603 298.9822 -183453.3001 -149122.1699 299.6046 176.9357 207.5402 557139.1731 -5.8465 -5.7753 PRESSURE: 1732600 97.625 -77.3954 62.319 -77.3943 -133.296 -11.4094 62.3182 -11.4086 -123.703 GPRESSURE: 1732600 170.284 22.4462 57.3044 -102.273 -103.182 -100.753 67.2743 51.9461 -142.777 PRESSAVG: 1732600 -0.525075 2.90754 22.2256 2.90752 -14.3462 -49.0884 22.2257 -49.0883 -19.2869 GPRESSAVG: 1732600 -0.690073 3.08139 21.8744 -0.219482 -12.2353 -47.8487 22.1871 -50.0244 -21.1943 TIMING: 1732600 CPU: 5155.08, 0.00296497/step Wall: 5155.08, 0.00296497/step, 2.69104 hours remaining, 206.324219 MB of memory in use. ENERGY: 1732600 751.3477 2047.3788 1928.5672 94.0618 -205720.2272 17591.9848 0.0000 0.0000 34177.3340 -149129.5530 298.4792 -183306.8870 -149039.6238 299.5661 -53.1248 -25.2250 557955.9099 -11.3861 -11.3732 PRESSURE: 1732800 91.8719 59.2283 6.73847 59.2268 341.001 -15.1832 6.73892 -15.1825 143.605 GPRESSURE: 1732800 157.138 80.5327 -132.69 107.66 376.08 15.7623 82.3978 -55.4054 146.351 PRESSAVG: 1732800 46.6133 -26.5456 33.519 -26.5455 0.617645 -42.8009 33.5191 -42.8009 -12.1832 GPRESSAVG: 1732800 47.0548 -25.6187 32.3484 -26.1642 0.264792 -46.572 33.3193 -40.3866 -13.2037 TIMING: 1732800 CPU: 5155.67, 0.00297459/step Wall: 5155.67, 0.00297459/step, 2.6996 hours remaining, 206.324219 MB of memory in use. ENERGY: 1732800 766.5029 2142.4688 1935.6049 122.4396 -206578.7164 18150.7434 0.0000 0.0000 34404.3924 -149056.5644 300.4621 -183460.9568 -148951.5120 300.0993 192.1592 226.5232 557540.5979 11.6826 11.3720 PRESSURE: 1733000 375.848 -15.6189 -27.3127 -15.6202 60.6759 -56.3992 -27.3129 -56.3985 111.373 GPRESSURE: 1733000 366.223 -67.7872 -52.7822 22.6867 173.331 -59.7443 -34.7645 -33.3712 114.187 PRESSAVG: 1733000 49.5308 29.2878 -8.67469 29.2878 -1.98241 4.36848 -8.67467 4.36854 -16.0094 GPRESSAVG: 1733000 49.4868 28.274 -6.417 29.806 -2.9635 6.32715 -9.94401 2.63742 -15.1644 TIMING: 1733000 CPU: 5156.26, 0.002952/step Wall: 5156.26, 0.002952/step, 2.67894 hours remaining, 206.324219 MB of memory in use. ENERGY: 1733000 708.6848 2151.4183 1919.0388 119.1698 -206518.6200 18096.2307 0.0000 0.0000 34436.5557 -149087.5219 300.7430 -183524.0776 -148991.6857 299.1399 182.6324 217.9132 556434.9357 10.5130 10.4530 PRESSURE: 1733200 -43.1863 -12.0847 92.2685 -12.0849 -3.71199 50.5366 92.2692 50.5358 73.918 GPRESSURE: 1733200 -55.0607 57.1495 125.683 -101.643 50.8887 -42.1223 126.955 80.763 132.26 PRESSAVG: 1733200 31.5786 -80.088 31.9101 -80.088 16.5289 -35.0877 31.9101 -35.0876 -79.5798 GPRESSAVG: 1733200 30.8864 -79.2639 31.3437 -79.3633 16.9846 -35.5847 32.7775 -34.0685 -78.8907 TIMING: 1733200 CPU: 5156.86, 0.00296308/step Wall: 5156.86, 0.00296308/step, 2.68883 hours remaining, 206.324219 MB of memory in use. ENERGY: 1733200 777.0540 2159.7785 1965.8246 133.7415 -205949.6093 17725.6565 0.0000 0.0000 34103.1153 -149084.4389 297.8310 -183187.5542 -148989.5096 299.6535 9.0066 42.6959 555796.3962 -10.4908 -10.3399 PRESSURE: 1733400 -15.5327 121.317 7.0565 121.317 11.0282 -70.1247 7.05619 -70.124 6.85807 GPRESSURE: 1733400 27.4199 99.3042 14.2052 140.654 44.0285 -67.3192 -18.6251 -48.3931 29.2452 PRESSAVG: 1733400 16.5039 23.6275 30.89 23.6275 -12.6448 10.509 30.8899 10.5089 -12.2698 GPRESSAVG: 1733400 15.9817 23.9112 30.6659 22.3878 -11.4857 12.1178 31.8604 6.38776 -13.5703 TIMING: 1733400 CPU: 5157.45, 0.00294904/step Wall: 5157.45, 0.00294904/step, 2.67592 hours remaining, 206.324219 MB of memory in use. ENERGY: 1733400 790.6332 2154.7478 1941.9853 110.2460 -206018.3337 17826.4981 0.0000 0.0000 34118.7251 -149075.4983 297.9673 -183194.2234 -148980.7932 299.6282 0.7845 33.5645 557190.1711 -2.8036 -3.0248 PRESSURE: 1733600 176.027 -203.689 77.3868 -203.69 -87.0708 -61.3593 77.385 -61.3601 -73.7272 GPRESSURE: 1733600 175.991 -111.581 0.0155063 -263.759 -81.4136 -4.49804 56.0919 -52.9437 23.4505 PRESSAVG: 1733600 -32.2943 40.371 7.04718 40.3709 72.5658 -5.23273 7.04725 -5.23263 -9.40457 GPRESSAVG: 1733600 -31.9629 41.7988 5.54801 40.8857 71.8312 -7.21582 6.77631 -2.01108 -9.33209 TIMING: 1733600 CPU: 5158.04, 0.00296628/step Wall: 5158.04, 0.00296628/step, 2.69141 hours remaining, 206.324219 MB of memory in use. ENERGY: 1733600 716.3468 2151.4929 1957.1641 123.3153 -205884.2645 17701.9834 0.0000 0.0000 34071.3496 -149162.6124 297.5536 -183233.9620 -149067.0888 299.7113 5.0762 39.3425 557005.2499 10.2890 10.1788 PRESSURE: 1733800 -143.469 -233.682 -129.127 -233.68 -124.964 -13.3298 -129.127 -13.3302 -246.135 GPRESSURE: 1733800 -125.303 -266.289 -135.133 -144.077 -116.197 -69.1741 -158.712 -51.7474 -171.047 PRESSAVG: 1733800 11.0525 8.90496 -54.5585 8.90493 4.82647 6.57343 -54.5585 6.57338 -23.4386 GPRESSAVG: 1733800 11.1474 4.95093 -53.4834 11.3789 3.85534 5.74787 -54.2284 6.84652 -22.2807 TIMING: 1733800 CPU: 5158.63, 0.00297661/step Wall: 5158.63, 0.00297661/step, 2.70061 hours remaining, 206.324219 MB of memory in use. ENERGY: 1733800 771.9894 2109.9076 1963.5318 117.0029 -206354.6686 17668.9201 0.0000 0.0000 34461.9155 -149261.4013 300.9645 -183723.3168 -149163.6031 299.8354 -171.5225 -137.5153 556250.6016 -2.5199 -2.4260 PRESSURE: 1734000 64.8846 -42.9172 108.827 -42.9159 -231.759 135.155 108.828 135.157 -105.63 GPRESSURE: 1734000 116.498 -102.909 110.664 -3.5383 -254.846 171.035 63.1997 120.289 -38.0687 PRESSAVG: 1734000 74.1458 6.70662 -47.5202 6.70657 -30.5514 -15.5415 -47.5202 -15.5416 -24.4361 GPRESSAVG: 1734000 73.9456 6.59521 -50.2492 5.78486 -30.3631 -12.8569 -47.7567 -17.6749 -24.6134 TIMING: 1734000 CPU: 5159.23, 0.00297501/step Wall: 5159.23, 0.00297501/step, 2.699 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: 1734000 729.1577 2057.6550 1925.1499 107.2754 -206049.1010 17471.8381 0.0000 0.0000 34276.2626 -149481.7624 299.3431 -183758.0250 -149383.3629 299.0374 -90.8348 -58.8058 555671.4272 6.3861 6.3230 PRESSURE: 1734200 48.7989 33.2891 313.018 33.2888 -127.013 20.85 313.017 20.8487 -134.711 GPRESSURE: 1734200 -27.6314 15.9971 347.574 12.8686 -76.769 -65.21 357.837 48.937 -17.9453 PRESSAVG: 1734200 31.8688 14.8888 50.2216 14.8888 -37.0476 4.22293 50.2216 4.22297 9.29656 GPRESSAVG: 1734200 31.9593 19.394 51.839 12.5937 -36.8166 1.61195 51.3811 6.00769 8.57663 TIMING: 1734200 CPU: 5159.83, 0.00298283/step Wall: 5159.83, 0.00298283/step, 2.70592 hours remaining, 206.378906 MB of memory in use. ENERGY: 1734200 751.6483 2066.2324 1954.7230 96.3241 -206140.0786 17676.6455 0.0000 0.0000 34074.5805 -149519.9249 297.5818 -183594.5054 -149423.4339 298.7968 -70.9751 -40.7819 554804.7145 1.3726 1.2398 PRESSURE: 1734400 -184.419 -57.2603 74.4089 -57.2611 -244.908 -47.7118 74.4093 -47.7119 160.713 GPRESSURE: 1734400 -133.034 22.098 139.328 -54.6433 -238.862 9.46262 4.29568 -79.9367 210.73 PRESSAVG: 1734400 22.8566 -27.2832 -0.368761 -27.2833 -21.9971 38.3432 -0.368762 38.3431 23.1358 GPRESSAVG: 1734400 23.5931 -29.5878 0.90628 -26.5763 -22.3041 37.648 -1.16547 38.7025 22.7875 TIMING: 1734400 CPU: 5160.43, 0.00299788/step Wall: 5160.43, 0.00299788/step, 2.71941 hours remaining, 206.378906 MB of memory in use. ENERGY: 1734400 759.8446 2150.1778 1950.2450 117.1809 -206161.6935 17709.4652 0.0000 0.0000 34109.2788 -149365.5011 297.8848 -183474.7799 -149274.8072 298.3043 -89.5380 -53.7221 556518.6897 7.9984 8.0255 PRESSURE: 1734600 -19.2662 -35.0572 -153.022 -35.0583 126.178 132.015 -153.023 132.016 157.767 GPRESSURE: 1734600 -8.08944 -35.4943 -253.957 86.5694 148.332 112.869 -95.9647 131.506 221.887 PRESSAVG: 1734600 58.112 -38.4753 -18.1936 -38.4752 5.19076 31.9155 -18.1935 31.9155 -42.1886 GPRESSAVG: 1734600 57.3103 -39.1107 -17.7559 -39.6167 6.1535 33.4127 -18.5706 31.9513 -42.9353 TIMING: 1734600 CPU: 5161.03, 0.00299952/step Wall: 5161.03, 0.00299952/step, 2.72073 hours remaining, 206.378906 MB of memory in use. ENERGY: 1734600 769.0652 2060.0858 1964.3146 114.6016 -206656.8111 18131.1648 0.0000 0.0000 34096.9130 -149520.6662 297.7768 -183617.5792 -149425.9335 298.7908 88.2261 120.7099 556912.5454 7.0380 6.8428 PRESSURE: 1734800 -32.7013 102.45 -56.3631 102.45 -36.0679 -49.6906 -56.3635 -49.6906 -139.479 GPRESSURE: 1734800 -29.886 182.285 88.3031 66.8859 18.5994 -13.8631 -179.336 -130.227 -87.6986 PRESSAVG: 1734800 -20.1332 39.3419 12.4903 39.3419 30.6298 17.5263 12.4903 17.5262 -53.0412 GPRESSAVG: 1734800 -20.4711 40.5619 12.3417 41.1185 29.9568 17.6622 14.5744 16.4524 -51.957 TIMING: 1734800 CPU: 5161.63, 0.00300103/step Wall: 5161.63, 0.00300103/step, 2.72193 hours remaining, 206.378906 MB of memory in use. ENERGY: 1734800 741.1498 2123.6872 1932.1069 108.9665 -206265.6554 17813.2314 0.0000 0.0000 34074.0427 -149472.4710 297.5771 -183546.5136 -149371.6627 298.4688 -69.4161 -32.9950 556936.7716 -14.1816 -14.1571 PRESSURE: 1735000 139.887 37.7319 -8.88562 37.7332 -55.3794 123.53 -8.88568 123.531 -262.228 GPRESSURE: 1735000 188.963 -93.9945 -93.1967 132.802 -17.5738 95.886 -2.0177 49.1184 -259.651 PRESSAVG: 1735000 -16.5523 40.4077 -7.02664 40.4078 41.8148 29.7256 -7.02669 29.7256 -4.2034 GPRESSAVG: 1735000 -15.3995 40.1791 -7.35489 39.3865 40.7228 30.1326 -8.93204 30.6466 -4.03494 TIMING: 1735000 CPU: 5162.23, 0.00299679/step Wall: 5162.23, 0.00299679/step, 2.71792 hours remaining, 206.378906 MB of memory in use. ENERGY: 1735000 766.6978 2070.5787 1956.2987 113.5695 -206706.1100 17898.1042 0.0000 0.0000 34372.5291 -149528.3321 300.1838 -183900.8612 -149430.7807 298.5143 -59.2400 -29.4205 557207.4494 7.0197 7.0961 PRESSURE: 1735200 34.7867 -179.791 32.7849 -179.791 64.9669 50.7995 32.7841 50.7989 -45.279 GPRESSURE: 1735200 6.78983 -242.778 48.6756 -137.415 147.051 17.4703 83.1737 42.1053 -4.2235 PRESSAVG: 1735200 75.1618 -15.5217 -0.559465 -15.5217 -27.8045 35.6423 -0.559307 35.6424 -25.1465 GPRESSAVG: 1735200 74.0753 -16.4985 1.52903 -14.2006 -25.447 34.5537 -2.42895 34.0811 -26.0846 TIMING: 1735200 CPU: 5162.83, 0.00300418/step Wall: 5162.83, 0.00300418/step, 2.72446 hours remaining, 206.578125 MB of memory in use. ENERGY: 1735200 711.6596 2095.0912 1955.4538 109.6259 -206451.8161 17856.6600 0.0000 0.0000 34251.5170 -149471.8086 299.1270 -183723.3256 -149378.5063 299.1546 18.1582 49.8724 556884.2670 7.4036 7.5146 PRESSURE: 1735400 -103.72 137.096 -81.0229 137.096 -99.6874 110.338 -81.0244 110.338 212.369 GPRESSURE: 1735400 26.5263 134.659 -52.7162 52.7384 -91.5652 109.298 -61.7898 88.0402 178.91 PRESSAVG: 1735400 19.9617 -42.8462 -19.629 -42.8462 18.1361 -34.5798 -19.629 -34.5799 -22.9789 GPRESSAVG: 1735400 21.7376 -41.8969 -22.6482 -45.6884 15.968 -33.7943 -16.8361 -34.3851 -23.4251 TIMING: 1735400 CPU: 5163.43, 0.00302181/step Wall: 5163.43, 0.00302181/step, 2.74028 hours remaining, 206.578125 MB of memory in use. ENERGY: 1735400 761.3766 2087.2265 1922.2356 107.8490 -206506.9731 17968.8154 0.0000 0.0000 34201.4987 -149457.9712 298.6902 -183659.4699 -149356.4985 298.6021 2.9873 37.9570 557137.3934 5.0397 4.7601 PRESSURE: 1735600 -176.437 36.0764 72.6249 36.0767 -107.054 -28.2538 72.6236 -28.2553 -195.295 GPRESSURE: 1735600 -172.077 27.3547 -15.9749 -41.7204 -34.8815 -59.6166 94.2197 -23.5222 -175.672 PRESSAVG: 1735600 -68.413 28.1737 -14.1298 28.1736 9.25416 -11.1128 -14.1297 -11.1127 36.1006 GPRESSAVG: 1735600 -69.5697 27.358 -12.5957 31.5514 9.99292 -10.1147 -16.5532 -11.0061 36.9382 TIMING: 1735600 CPU: 5164.03, 0.00298112/step Wall: 5164.03, 0.00298112/step, 2.70321 hours remaining, 206.578125 MB of memory in use. ENERGY: 1735600 755.5970 2057.0925 1957.1527 97.6527 -205991.2818 17541.6852 0.0000 0.0000 34087.9190 -149494.1827 297.6983 -183582.1018 -149400.6916 297.9791 -159.5952 -127.5436 557501.1824 -7.6861 -7.5462 PRESSURE: 1735800 19.3088 25.1299 -31.2861 25.1301 80.0854 68.9137 -31.286 68.9133 -290.67 GPRESSURE: 1735800 -12.1762 65.4599 -87.4119 12.6832 98.8109 -19.5679 -108.459 17.1645 -182.429 PRESSAVG: 1735800 -5.11448 -5.51144 -62.8593 -5.51155 90.2359 -31.3468 -62.8594 -31.3468 -51.3133 GPRESSAVG: 1735800 -5.86377 -4.74215 -63.1178 -6.77543 90.3235 -34.9216 -61.3376 -27.7043 -50.8797 TIMING: 1735800 CPU: 5164.63, 0.00299552/step Wall: 5164.63, 0.00299552/step, 2.71611 hours remaining, 206.578125 MB of memory in use. ENERGY: 1735800 739.2781 2014.0417 1938.7829 108.0543 -206476.3531 17979.0248 0.0000 0.0000 34321.1596 -149376.0116 299.7352 -183697.1712 -149277.3144 298.4935 -63.7586 -31.9314 559407.4163 11.2694 11.1933 PRESSURE: 1736000 -63.8849 -113.321 -14.9014 -113.323 -0.0664846 -29.8681 -14.9015 -29.8672 -46.7432 GPRESSURE: 1736000 -10.0365 7.50318 -70.5634 -72.5732 40.1311 -12.93 24.9221 3.04585 -52.7072 PRESSAVG: 1736000 -6.17187 0.43206 19.2815 0.432028 26.3978 -20.7157 19.2815 -20.7158 -1.74411 GPRESSAVG: 1736000 -5.79389 0.554002 17.5166 1.24329 26.0002 -20.684 19.7703 -21.1548 -2.00217 TIMING: 1736000 CPU: 5165.22, 0.00299193/step Wall: 5165.22, 0.00299193/step, 2.71268 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: 1736000 739.6064 2062.3643 1945.5724 114.2147 -206704.6449 18112.7729 0.0000 0.0000 34328.9441 -149401.1700 299.8032 -183730.1141 -149301.1938 298.9314 -36.8982 -7.5375 559185.9289 6.1606 6.0680 PRESSURE: 1736200 -219.425 59.6319 -30.6056 59.6324 -212.218 88.4415 -30.6054 88.4408 43.4179 GPRESSURE: 1736200 -181.388 14.802 49.4907 120.655 -157.904 46.3901 -53.5936 139.681 58.4785 PRESSAVG: 1736200 -0.239544 21.0176 12.0411 21.0176 19.6319 -25.0517 12.041 -25.0518 -41.7343 GPRESSAVG: 1736200 -1.37491 21.4214 13.2254 20.7703 19.9297 -23.0151 10.6791 -26.9338 -41.0756 TIMING: 1736200 CPU: 5165.82, 0.00297817/step Wall: 5165.82, 0.00297817/step, 2.70004 hours remaining, 206.578125 MB of memory in use. ENERGY: 1736200 748.7591 2035.3296 1916.8035 109.9085 -206423.9292 17963.4203 0.0000 0.0000 34116.0165 -149533.6917 297.9437 -183649.7082 -149433.6363 298.9763 -129.4086 -93.6047 559528.5295 -7.4473 -7.5069 LDB: ============= START OF LOAD BALANCING ============== 5169.25 LDB: ============== END OF LOAD BALANCING =============== 5169.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5169.25 LDB: ============= START OF LOAD BALANCING ============== 5169.55 LDB: Largest compute 4821 load 0.022936 is 19.4% of average load 0.118049 LDB: Average compute 0.001724 is 1.5% of average load 0.118049 LDB: TIME 5169.55 LOAD: AVG 0.118049 MAX 0.201205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 5169.55 LOAD: AVG 0.118049 MAX 0.201205 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: TIME 5169.55 LOAD: AVG 0.118049 MAX 0.201205 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5169.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5169.56 PRESSURE: 1736400 52.0826 161.567 -138.115 161.569 144.635 16.8583 -138.116 16.857 -191.216 GPRESSURE: 1736400 100.582 281.995 -118.507 129.332 124.441 65.5838 -159.801 37.9766 -111.02 PRESSAVG: 1736400 73.1533 75.5766 -12.4907 75.5765 37.1229 28.2103 -12.4907 28.2102 -94.3824 GPRESSAVG: 1736400 74.7422 75.5442 -13.8353 75.6248 36.4924 29.1568 -10.3679 30.038 -95.0961 TIMING: 1736400 CPU: 5166.43, 0.0030534/step Wall: 5166.43, 0.0030534/step, 2.76808 hours remaining, 206.511719 MB of memory in use. ENERGY: 1736400 746.0734 2072.6879 1917.3242 118.5168 -206525.3525 18070.4596 0.0000 0.0000 33968.0138 -149632.2768 296.6511 -183600.2906 -149528.1351 298.4558 1.8341 38.0012 557908.4507 5.2979 5.3795 PRESSURE: 1736600 23.9347 110.217 -108.511 110.218 -258.683 115.166 -108.51 115.166 -183.585 GPRESSURE: 1736600 -6.65623 122.542 -39.5435 45.3221 -222.606 61.048 -100.044 160.328 -98.0086 PRESSAVG: 1736600 81.6307 39.8763 -60.2438 39.8763 -13.7793 75.6011 -60.2438 75.601 -57.2272 GPRESSAVG: 1736600 80.2208 40.2188 -59.3032 39.6649 -12.8553 76.2194 -60.102 73.6215 -57.4726 TIMING: 1736600 CPU: 5167.03, 0.00297512/step Wall: 5167.03, 0.00297512/step, 2.69694 hours remaining, 206.511719 MB of memory in use. ENERGY: 1736600 732.5584 2128.9368 1965.4228 115.7709 -206208.0571 17614.8012 0.0000 0.0000 34120.1801 -149530.3870 297.9800 -183650.5671 -149440.4472 298.3261 -139.4442 -109.0904 558654.1547 3.5414 3.2976 PRESSURE: 1736800 -309.035 -24.9827 7.88724 -24.9824 -196.927 -11.5957 7.88636 -11.5965 -83.4206 GPRESSURE: 1736800 -250.29 -148.904 78.0425 -80.4109 -162.817 82.6659 -73.4145 19.6813 -86.6953 PRESSAVG: 1736800 -57.1437 -8.86945 -11.61 -8.8694 17.1961 -27.9312 -11.61 -27.9312 7.60744 GPRESSAVG: 1736800 -55.1297 -8.77119 -12.9113 -8.4101 14.973 -28.8961 -12.0649 -27.4881 7.58284 TIMING: 1736800 CPU: 5167.62, 0.00296335/step Wall: 5167.62, 0.00296335/step, 2.68611 hours remaining, 206.511719 MB of memory in use. ENERGY: 1736800 737.1904 2058.8148 1937.8240 126.1969 -205967.6757 17455.5248 0.0000 0.0000 34088.4764 -149563.6485 297.7031 -183652.1248 -149463.7709 297.7233 -196.4608 -166.6008 556284.7933 -10.7800 -10.8579 PRESSURE: 1737000 168.469 29.2976 -8.84858 29.2961 20.9401 -33.3628 -8.84928 -33.3631 -9.9701 GPRESSURE: 1737000 244.778 104.613 -31.4193 -16.8421 31.4605 -74.7805 -28.2645 -71.242 -9.31011 PRESSAVG: 1737000 -7.90941 0.375631 -41.2123 0.375573 20.5201 -6.67044 -41.2122 -6.67036 -12.7078 GPRESSAVG: 1737000 -9.08175 1.00173 -38.1021 -2.67803 21.7175 -5.70351 -41.9342 -8.93067 -13.4122 TIMING: 1737000 CPU: 5168.21, 0.00296463/step Wall: 5168.21, 0.00296463/step, 2.68711 hours remaining, 206.511719 MB of memory in use. ENERGY: 1737000 711.1122 2089.7453 1943.4537 102.8083 -206594.2178 17896.7008 0.0000 0.0000 34313.4824 -149536.9151 299.6682 -183850.3975 -149435.8113 298.1883 59.8128 88.9762 556020.5827 -0.0324 -0.2588 PRESSURE: 1737200 -16.8874 14.7989 -43.2863 14.7992 55.0064 115.211 -43.2862 115.211 -31.3747 GPRESSURE: 1737200 42.614 4.0319 -67.3097 -24.3507 56.7943 257.43 5.8752 154.737 6.56368 PRESSAVG: 1737200 67.6686 -43.0485 26.307 -43.0485 47.2411 12.1392 26.307 12.1391 -100.127 GPRESSAVG: 1737200 66.8031 -45.8293 22.8082 -38.6706 47.1146 10.8684 27.0992 14.7847 -99.1373 TIMING: 1737200 CPU: 5168.8, 0.00296855/step Wall: 5168.8, 0.00296855/step, 2.6905 hours remaining, 206.511719 MB of memory in use. ENERGY: 1737200 709.0215 2113.7926 1953.2180 123.8542 -206512.3151 17845.2692 0.0000 0.0000 34315.6153 -149451.5444 299.6868 -183767.1597 -149357.8926 298.6648 2.2481 35.3240 558611.9344 4.9275 4.9268 PRESSURE: 1737400 -388.469 30.3126 220.484 30.3135 -11.7715 36.2317 220.484 36.2321 -116.732 GPRESSURE: 1737400 -338.205 58.7911 145.435 45.1048 -33.9938 127.989 236.464 62.9196 -63.0353 PRESSAVG: 1737400 61.259 -3.75941 38.2775 -3.75938 -21.3261 9.00246 38.2775 9.00246 -58.697 GPRESSAVG: 1737400 62.7252 -1.36625 40.5919 -5.89558 -21.5538 9.06137 36.9004 9.97359 -59.5825 TIMING: 1737400 CPU: 5169.4, 0.00295288/step Wall: 5169.4, 0.00295288/step, 2.67613 hours remaining, 206.511719 MB of memory in use. ENERGY: 1737400 741.7015 2072.4329 1942.3177 113.1011 -205938.6979 17623.0864 0.0000 0.0000 34077.8592 -149368.1990 297.6104 -183446.0582 -149273.5672 298.4123 -172.3243 -145.0780 557606.3093 -6.2547 -6.1371 PRESSURE: 1737600 100.317 49.3598 -110.005 49.3604 37.1083 -122.495 -110.004 -122.495 218.905 GPRESSURE: 1737600 110.541 55.2039 -123.217 59.6747 100.51 -211.847 -158.498 -107.101 228.388 PRESSAVG: 1737600 8.23637 6.30299 70.0571 6.30303 -13.7463 -42.719 70.0572 -42.7191 31.0309 GPRESSAVG: 1737600 8.03625 3.96109 68.6034 5.28632 -13.5076 -40.7554 72.762 -44.1812 30.9522 TIMING: 1737600 CPU: 5169.98, 0.00294478/step Wall: 5169.98, 0.00294478/step, 2.66863 hours remaining, 206.511719 MB of memory in use. ENERGY: 1737600 717.7655 2131.8240 1948.9760 115.3820 -206253.8225 17863.4121 0.0000 0.0000 34230.2169 -149246.2460 298.9410 -183476.4629 -149158.6534 298.7675 118.7766 146.4800 556071.8920 8.5070 8.4936 PRESSURE: 1737800 -127.278 94.307 167.383 94.3072 54.1519 -52.5307 167.383 -52.5318 193.309 GPRESSURE: 1737800 -43.6647 57.6088 192.243 58.5643 101.738 -23.361 122.988 -90.345 153.595 PRESSAVG: 1737800 -5.46955 6.2967 24.0658 6.29683 35.8969 -2.33312 24.0659 -2.3331 -10.4035 GPRESSAVG: 1737800 -5.47044 7.14093 23.9983 6.55338 36.2674 -3.22777 24.0274 -5.09395 -11.0328 TIMING: 1737800 CPU: 5170.58, 0.00295814/step Wall: 5170.58, 0.00295814/step, 2.68057 hours remaining, 206.511719 MB of memory in use. ENERGY: 1737800 713.8006 2105.2350 1951.8286 115.9297 -206301.6642 17810.3212 0.0000 0.0000 34330.0027 -149274.5465 299.8125 -183604.5492 -149180.2523 299.3603 40.0608 70.5561 558258.6452 6.6746 6.5881 PRESSURE: 1738000 -86.9876 -14.299 100.725 -14.2999 -54.549 -14.4975 100.726 -14.4974 -219.238 GPRESSURE: 1738000 -84.6786 72.6331 56.7739 -37.0048 -86.3737 -15.8024 150.708 -23.465 -96.3771 PRESSAVG: 1738000 -27.3333 -26.6194 21.673 -26.6194 -17.5957 26.3979 21.6729 26.398 49.4567 GPRESSAVG: 1738000 -27.8563 -26.3603 21.9422 -26.2477 -18.4357 26.4613 19.0915 28.2957 50.4561 TIMING: 1738000 CPU: 5171.17, 0.00296714/step Wall: 5171.17, 0.00296714/step, 2.68855 hours remaining, 206.511719 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: 1738000 781.2065 2063.6005 1964.8690 125.9305 -206059.1086 17654.9696 0.0000 0.0000 34269.6419 -149198.8905 299.2853 -183468.5324 -149103.6854 299.4697 -120.2581 -89.1431 558141.6024 1.5092 1.3881 PRESSURE: 1738200 -107.723 -92.5906 160.245 -92.5911 -58.9106 -90.9337 160.245 -90.9349 -139.428 GPRESSURE: 1738200 -41.1798 -97.5295 133.315 -60.6394 -33.6553 -114.297 79.0581 -78.1679 -136.492 PRESSAVG: 1738200 -45.4686 -20.9775 8.36381 -20.9774 -23.682 -23.96 8.36377 -23.96 24.6298 GPRESSAVG: 1738200 -44.193 -20.2388 8.51889 -21.849 -24.9497 -24.1049 10.612 -24.1618 24.9805 TIMING: 1738200 CPU: 5171.77, 0.00299437/step Wall: 5171.77, 0.00299437/step, 2.71307 hours remaining, 206.511719 MB of memory in use. ENERGY: 1738200 752.4936 2098.0188 1960.0257 117.6231 -206252.5929 17805.5310 0.0000 0.0000 34280.3297 -149238.5709 299.3786 -183518.9006 -149142.5081 299.1331 -102.0206 -70.4424 557846.3011 -14.8403 -14.7208 PRESSURE: 1738400 -23.4976 69.1562 -44.9117 69.1563 102.016 28.8932 -44.912 28.8927 112.313 GPRESSURE: 1738400 13.4418 -18.5268 -82.683 106.891 163.876 42.2454 -85.1393 -39.6832 119.682 PRESSAVG: 1738400 38.4095 -1.88567 31.072 -1.88561 -47.0143 47.1018 31.072 47.1017 15.7843 GPRESSAVG: 1738400 37.8613 -3.25171 30.9567 0.119487 -46.604 47.6181 30.4854 45.1983 16.113 TIMING: 1738400 CPU: 5172.37, 0.00300074/step Wall: 5172.37, 0.00300074/step, 2.71867 hours remaining, 206.511719 MB of memory in use. ENERGY: 1738400 729.7046 2080.1624 1949.0096 120.5597 -206301.6709 17914.6751 0.0000 0.0000 34174.2100 -149333.3495 298.4519 -183507.5595 -149242.5701 298.9879 63.6106 99.0000 556097.1021 2.3932 2.4568 PRESSURE: 1738600 -355.254 -126.459 -12.3312 -126.459 -163.261 -19.7264 -12.3305 -19.7255 -331.407 GPRESSURE: 1738600 -267.339 -75.481 13.7861 -115.787 -156.005 23.7692 -4.12805 -61.5049 -330.496 PRESSAVG: 1738600 -39.0338 -17.9101 -24.2661 -17.91 -8.19596 16.329 -24.2661 16.3289 65.3564 GPRESSAVG: 1738600 -37.6044 -17.5135 -24.2428 -18.3433 -8.30674 17.1633 -23.4219 17.401 64.4231 TIMING: 1738600 CPU: 5172.96, 0.00295876/step Wall: 5172.96, 0.00295876/step, 2.68047 hours remaining, 206.511719 MB of memory in use. ENERGY: 1738600 733.2597 2058.5741 1943.5127 115.0997 -205924.8370 17370.5691 0.0000 0.0000 34327.7062 -149376.1156 299.7924 -183703.8217 -149276.8329 298.5743 -283.3070 -251.2802 558480.5661 6.0422 6.1706 PRESSURE: 1738800 65.4132 -115.199 -69.207 -115.2 112.693 23.1453 -69.2066 23.1434 71.9688 GPRESSURE: 1738800 54.1562 -108.844 -62.1801 -142.726 138.344 37.9662 -79.3787 46.7049 155.192 PRESSAVG: 1738800 4.14118 -1.77497 -9.94734 -1.77497 -51.356 17.6328 -9.9474 17.6327 59.7629 GPRESSAVG: 1738800 2.94543 -0.887202 -9.33176 -2.20118 -49.9289 17.102 -10.4321 17.8803 58.8756 TIMING: 1738800 CPU: 5173.55, 0.00295892/step Wall: 5173.55, 0.00295892/step, 2.68046 hours remaining, 206.511719 MB of memory in use. ENERGY: 1738800 724.5781 2090.0483 1909.7576 115.5998 -206227.9442 18077.6450 0.0000 0.0000 34147.0763 -149163.2392 298.2149 -183310.3155 -149060.4853 299.4831 83.3583 115.8974 559474.2043 4.1827 3.9640 PRESSURE: 1739000 184.404 -11.3553 -112.632 -11.3563 36.937 5.22933 -112.631 5.22918 -155.068 GPRESSURE: 1739000 198.209 -7.67601 -22.3551 69.2169 48.6961 -41.9707 -96.1544 32.9501 -88.7318 PRESSAVG: 1739000 4.06899 6.6495 -49.2137 6.64952 -50.5292 2.19615 -49.2136 2.19633 37.737 GPRESSAVG: 1739000 3.17062 8.25492 -49.3091 5.25045 -50.9008 2.00249 -49.7302 2.01817 39.2811 TIMING: 1739000 CPU: 5174.14, 0.00293787/step Wall: 5174.14, 0.00293787/step, 2.66122 hours remaining, 206.511719 MB of memory in use. ENERGY: 1739000 734.4536 2112.8743 1917.0363 99.7516 -206025.4051 17758.9124 0.0000 0.0000 34264.2354 -149138.1416 299.2381 -183402.3770 -149043.5633 298.8231 22.0908 52.7245 557402.1911 -2.9078 -2.8164 PRESSURE: 1739200 -38.3655 -21.2806 -215.947 -21.2803 88.9887 -77.1738 -215.948 -77.1746 54.567 GPRESSURE: 1739200 -27.0946 55.4031 -123.794 -48.4726 109.635 -142.589 -187.462 -25.0913 122.935 PRESSAVG: 1739200 30.4121 14.9182 -37.9534 14.9181 -65.4949 -13.7604 -37.9533 -13.7604 12.1211 GPRESSAVG: 1739200 30.799 12.9666 -38.5739 18.9756 -65.8302 -16.4445 -36.9316 -12.4004 12.1688 TIMING: 1739200 CPU: 5174.73, 0.00294267/step Wall: 5174.73, 0.00294267/step, 2.66541 hours remaining, 206.511719 MB of memory in use. ENERGY: 1739200 726.4024 2101.5947 1921.3931 114.4430 -206422.1686 18016.3939 0.0000 0.0000 34172.7180 -149369.2233 298.4388 -183541.9414 -149275.0955 298.8659 35.0634 68.4918 557389.5084 -7.6539 -7.6208 PRESSURE: 1739400 -206.227 32.1115 -62.7753 32.111 22.7822 -137.406 -62.7742 -137.406 -387.22 GPRESSURE: 1739400 -194.379 18.6818 -115.215 56.8691 11.0444 -158.753 -37.6116 -80.7398 -288.599 PRESSAVG: 1739400 -45.6981 -24.0189 4.75042 -24.0188 95.5541 -10.2036 4.75048 -10.2037 -46.0838 GPRESSAVG: 1739400 -46.1413 -21.9434 2.40437 -27.3262 95.8417 -9.33991 4.90496 -10.1532 -45.8496 TIMING: 1739400 CPU: 5175.32, 0.00295629/step Wall: 5175.32, 0.00295629/step, 2.67758 hours remaining, 206.511719 MB of memory in use. ENERGY: 1739400 743.6416 2102.5961 1915.5596 110.1696 -205850.0373 17575.7585 0.0000 0.0000 34073.3710 -149328.9409 297.5712 -183402.3119 -149230.5973 298.5929 -190.2217 -157.3114 558544.9950 1.2574 1.2836 PRESSURE: 1739600 243.755 42.8072 140.596 42.807 14.876 -65.5715 140.597 -65.5729 -270.78 GPRESSURE: 1739600 266.166 26.1603 164.43 7.403 44.383 -60.9165 55.5458 -120.818 -217.994 PRESSAVG: 1739600 -61.2771 11.0868 -23.3992 11.0868 75.8783 -1.64087 -23.3992 -1.64079 -30.8282 GPRESSAVG: 1739600 -59.3976 9.17002 -21.4999 12.0674 75.4171 -1.0728 -23.1916 -2.51148 -32.1747 TIMING: 1739600 CPU: 5175.91, 0.00296237/step Wall: 5175.91, 0.00296237/step, 2.68292 hours remaining, 206.511719 MB of memory in use. ENERGY: 1739600 718.5114 2056.7882 1896.4196 117.0100 -206083.2247 17775.2591 0.0000 0.0000 34092.3762 -149426.8603 297.7372 -183519.2365 -149337.5912 298.3725 -4.0499 30.8518 557479.8545 -5.4090 -5.3851 PRESSURE: 1739800 -118.31 -95.2441 86.9628 -95.2438 78.7965 117.367 86.964 117.368 -138.139 GPRESSURE: 1739800 -68.1603 -10.2869 81.1082 -27.4769 79.0272 135.759 118.74 202.072 -99.1581 PRESSAVG: 1739800 17.9753 29.0924 50.4003 29.0924 -27.2774 48.4118 50.4003 48.4118 -16.5438 GPRESSAVG: 1739800 15.6294 28.9587 51.5582 29.6684 -25.3942 49.0999 48.6773 47.7407 -15.9243 TIMING: 1739800 CPU: 5176.51, 0.00297513/step Wall: 5176.51, 0.00297513/step, 2.69431 hours remaining, 206.511719 MB of memory in use. ENERGY: 1739800 748.3608 2126.6141 1926.0984 113.6925 -206202.3526 17717.3646 0.0000 0.0000 34253.3371 -149316.8851 299.1429 -183570.2222 -149230.0585 298.4069 -59.2176 -29.4304 557652.4771 -8.6153 -8.5631 PRESSURE: 1740000 -202.334 -11.902 -113.061 -11.9013 -319.993 -48.0347 -113.062 -48.0347 -28.1571 GPRESSURE: 1740000 -245.596 73.8339 -170.931 -62.8329 -234.748 -87.3545 -90.2695 -81.9324 22.494 PRESSAVG: 1740000 23.402 -11.0654 -9.62911 -11.0654 -9.93741 7.29207 -9.62914 7.29213 -38.5606 GPRESSAVG: 1740000 23.278 -11.5729 -11.1483 -11.3235 -9.60167 7.12409 -8.57268 8.90049 -38.5461 TIMING: 1740000 CPU: 5177.1, 0.00296771/step Wall: 5177.1, 0.00296771/step, 2.68743 hours remaining, 206.511719 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: 1740000 739.2303 2097.5027 1934.5485 106.7258 -205976.1708 17509.5263 0.0000 0.0000 34190.5604 -149398.0767 298.5947 -183588.6371 -149302.0078 299.0818 -183.4948 -152.6165 557403.6289 -8.3653 -8.2899 PRESSURE: 1740200 6.5468 135.263 100.928 135.265 123.007 -136.503 100.929 -136.504 26.2788 GPRESSURE: 1740200 5.1538 119.854 128.594 35.1747 202.686 -156.023 163.92 -117.269 51.0939 PRESSAVG: 1740200 10.4345 16.4055 38.3853 16.4055 23.8525 -39.7259 38.3854 -39.7259 -7.88245 GPRESSAVG: 1740200 11.8479 18.9566 39.5657 15.9671 23.4761 -39.5263 38.5447 -40.083 -9.12898 TIMING: 1740200 CPU: 5177.69, 0.00296639/step Wall: 5177.69, 0.00296639/step, 2.68607 hours remaining, 206.511719 MB of memory in use. ENERGY: 1740200 759.5825 2084.2925 1919.2980 120.3819 -205978.0700 17877.8447 0.0000 0.0000 34106.0594 -149110.6109 297.8567 -183216.6703 -149019.7733 298.8989 51.9441 86.3114 558693.8510 8.8015 8.7317 LDB: ============= START OF LOAD BALANCING ============== 5181.12 LDB: ============== END OF LOAD BALANCING =============== 5181.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5181.12 LDB: ============= START OF LOAD BALANCING ============== 5181.43 LDB: Largest compute 4821 load 0.022616 is 19.2% of average load 0.118077 LDB: Average compute 0.001720 is 1.5% of average load 0.118077 LDB: TIME 5181.43 LOAD: AVG 0.118077 MAX 0.201584 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 5181.43 LOAD: AVG 0.118077 MAX 0.201584 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.258 MB LDB: TIME 5181.43 LOAD: AVG 0.118077 MAX 0.201584 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5181.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5181.43 PRESSURE: 1740400 68.7785 -19.0612 -21.5791 -19.0614 305.89 89.2748 -21.5801 89.2745 -401.858 GPRESSURE: 1740400 91.9358 22.1717 -78.6748 -46.7106 272.802 83.6601 -28.7601 73.1101 -302.25 PRESSAVG: 1740400 -37.3535 17.0828 41.4594 17.0829 37.004 8.54795 41.4595 8.54798 -50.2905 GPRESSAVG: 1740400 -37.6213 16.987 40.9273 16.5648 35.7661 7.55382 41.5184 9.20249 -49.1734 TIMING: 1740400 CPU: 5178.3, 0.00305602/step Wall: 5178.3, 0.00305602/step, 2.76706 hours remaining, 205.492188 MB of memory in use. ENERGY: 1740400 721.2420 2164.8948 1949.3582 118.0161 -206014.8396 17713.0204 0.0000 0.0000 34109.0797 -149239.2285 297.8831 -183348.3081 -149145.7314 298.2000 -9.0632 20.8291 559317.2624 -16.8800 -17.0095 PRESSURE: 1740600 -5.46414 28.2488 20.9593 28.2491 30.8268 62.6342 20.9599 62.6336 -166.221 GPRESSURE: 1740600 16.5131 26.6531 88.4612 26.563 60.9987 151.669 -63.4934 39.1097 -124.246 PRESSAVG: 1740600 17.4549 -7.34493 4.86259 -7.34497 -9.67963 54.4085 4.86257 54.4084 -61.1838 GPRESSAVG: 1740600 16.7971 -9.42523 5.43175 -8.3393 -10.0209 54.3912 3.24712 53.6924 -60.1524 TIMING: 1740600 CPU: 5178.9, 0.00296471/step Wall: 5178.9, 0.00296471/step, 2.68422 hours remaining, 205.492188 MB of memory in use. ENERGY: 1740600 741.5909 2187.8893 1914.0875 126.9975 -206538.4169 17942.3396 0.0000 0.0000 34429.2047 -149196.3073 300.6788 -183625.5120 -149101.7654 299.2744 -46.9526 -15.5780 559161.3469 -17.8028 -17.7921 PRESSURE: 1740800 32.0071 264.117 117.423 264.117 51.7272 -123.877 117.422 -123.877 6.74707 GPRESSURE: 1740800 42.2864 196.548 76.96 350.678 111.242 -113.544 158.593 -112.36 40.6977 PRESSAVG: 1740800 -0.388744 99.0226 23.9407 99.0226 45.3695 42.0558 23.9407 42.0558 -40.8373 GPRESSAVG: 1740800 0.716444 100.278 21.6647 101.359 45.8775 44.5588 26.0832 40.1958 -42.0434 TIMING: 1740800 CPU: 5179.49, 0.00295777/step Wall: 5179.49, 0.00295777/step, 2.67777 hours remaining, 205.492188 MB of memory in use. ENERGY: 1740800 754.8245 2108.9858 1940.0915 111.1240 -206386.9911 17957.8858 0.0000 0.0000 34320.5821 -149193.4973 299.7302 -183514.0794 -149098.4325 299.2832 30.1605 64.7420 559013.4533 1.3812 1.5169 PRESSURE: 1741000 114.373 126.635 217.902 126.635 -41.408 -8.21135 217.903 -8.21133 -92.1359 GPRESSURE: 1741000 149.751 158.965 274.173 76.8789 -22.4204 8.88697 129.692 -104.568 -39.9315 PRESSAVG: 1741000 2.89848 59.9393 31.125 59.9392 36.5114 14.3577 31.1249 14.3576 -20.8608 GPRESSAVG: 1741000 2.27501 59.9715 32.3801 58.6856 36.0819 15.1909 31.8198 13.6965 -19.5072 TIMING: 1741000 CPU: 5180.08, 0.00296684/step Wall: 5180.08, 0.00296684/step, 2.68581 hours remaining, 205.492188 MB of memory in use. ENERGY: 1741000 734.9740 2106.6285 1936.1443 111.9842 -206048.8480 17760.5210 0.0000 0.0000 34170.9592 -149227.6368 298.4235 -183398.5959 -149131.1089 299.5069 -6.3902 29.1329 558431.0840 6.1830 6.2832 PRESSURE: 1741200 -35.8698 150.922 28.2822 150.923 230.177 28.6466 28.2813 28.6477 -79.9772 GPRESSURE: 1741200 8.83407 201.419 45.3859 130.052 298.24 48.1856 17.0228 74.1283 -90.2888 PRESSAVG: 1741200 -103.349 48.3173 65.6434 48.3173 53.2545 -13.6847 65.6434 -13.6846 41.8553 GPRESSAVG: 1741200 -102.716 46.6216 67.6963 50.7497 53.8355 -17.4879 62.7186 -12.6321 40.1456 TIMING: 1741200 CPU: 5180.68, 0.0029807/step Wall: 5180.68, 0.0029807/step, 2.6982 hours remaining, 205.492188 MB of memory in use. ENERGY: 1741200 737.9881 2112.4039 1922.5560 98.6366 -206470.0581 17983.3774 0.0000 0.0000 34345.0742 -149270.0220 299.9441 -183615.0961 -149174.2552 298.8327 38.1098 72.2618 557288.6390 -2.7465 -2.9116 PRESSURE: 1741400 -119.681 -16.8459 40.7166 -16.8456 -142.823 193.785 40.7161 193.785 134.075 GPRESSURE: 1741400 -87.4984 -37.7154 85.2586 -17.6433 -112.955 111.228 99.3114 243.801 158.965 PRESSAVG: 1741400 -32.0164 -17.2818 28.0886 -17.2818 -5.38867 -35.161 28.0886 -35.1611 35.8931 GPRESSAVG: 1741400 -32.4662 -14.6398 25.7043 -19.8393 -5.94201 -32.8199 30.1257 -37.1468 37.1544 TIMING: 1741400 CPU: 5181.27, 0.00297728/step Wall: 5181.27, 0.00297728/step, 2.69494 hours remaining, 205.492188 MB of memory in use. ENERGY: 1741400 782.7730 2161.0533 1926.6211 111.7157 -206532.4785 17969.7510 0.0000 0.0000 34302.5481 -149278.0163 299.5727 -183580.5644 -149177.8496 299.4039 -42.8097 -13.8294 556750.6510 -0.5040 -0.4179 PRESSURE: 1741600 -95.5807 -138.045 50.385 -138.045 -13.4763 -7.8154 50.3844 -7.81382 -95.1171 GPRESSURE: 1741600 -117.445 -94.0549 23.0539 -141.355 34.6516 19.379 85.7769 -75.338 -28.5909 PRESSAVG: 1741600 -28.7959 -61.3531 -27.3721 -61.3531 -94.0989 -44.595 -27.3721 -44.595 71.2527 GPRESSAVG: 1741600 -27.7534 -62.5531 -27.0633 -61.6064 -93.5322 -45.38 -27.1363 -42.8938 69.5572 TIMING: 1741600 CPU: 5181.87, 0.00297653/step Wall: 5181.87, 0.00297653/step, 2.69409 hours remaining, 205.492188 MB of memory in use. ENERGY: 1741600 756.1374 2096.7533 1969.5590 115.0775 -206470.0415 17801.0631 0.0000 0.0000 34482.7700 -149248.6812 301.1466 -183731.4512 -149148.3633 299.6666 -68.0580 -37.1279 557119.4498 -17.2140 -17.2428 PRESSURE: 1741800 -43.7509 -64.6943 -25.5815 -64.6938 40.2413 60.301 -25.5816 60.3001 -85.3572 GPRESSURE: 1741800 4.6645 -140.269 39.364 -42.1557 71.6861 146.103 -7.50171 4.99433 -75.5741 PRESSAVG: 1741800 -23.9975 -0.854966 41.4738 -0.854972 -27.1974 -41.9567 41.4738 -41.9568 104.094 GPRESSAVG: 1741800 -24.3667 -1.23648 42.3534 0.663192 -27.622 -41.1106 42.543 -43.2095 104.905 TIMING: 1741800 CPU: 5182.47, 0.00300453/step Wall: 5182.47, 0.00300453/step, 2.71927 hours remaining, 205.492188 MB of memory in use. ENERGY: 1741800 749.6157 2142.3041 1945.2163 107.7616 -206295.0177 17774.3078 0.0000 0.0000 34293.1658 -149282.6463 299.4907 -183575.8121 -149187.5499 300.2567 -29.6223 0.2588 555394.2269 17.6329 17.6389 PRESSURE: 1742000 50.4591 48.1129 70.6033 48.1126 -98.0904 -71.8136 70.6044 -71.811 219.574 GPRESSURE: 1742000 45.3388 33.124 102.85 96.6352 -88.2935 -17.8609 1.81796 -133.324 314.051 PRESSAVG: 1742000 -16.1318 14.6035 -25.1813 14.6036 38.9397 43.9533 -25.1813 43.9533 8.28623 GPRESSAVG: 1742000 -15.8683 15.0143 -25.3696 14.4666 37.6601 42.6661 -26.3433 44.6724 9.06047 TIMING: 1742000 CPU: 5183.07, 0.00298284/step Wall: 5183.07, 0.00298284/step, 2.69947 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: 1742000 739.9024 2091.2089 1951.9511 112.8903 -206231.5311 17855.0796 0.0000 0.0000 34311.8080 -149168.6908 299.6536 -183480.4988 -149072.5781 300.3562 57.3142 90.3653 556199.9760 10.3647 10.2841 PRESSURE: 1742200 215.818 168.247 8.73323 168.247 123.78 -92.5531 8.73244 -92.5538 461.792 GPRESSURE: 1742200 271.913 109.488 41.7717 117.295 156.492 -87.7389 14.454 -152.028 480.046 PRESSAVG: 1742200 -41.893 1.0838 -6.72564 1.08385 8.56557 22.5 -6.72572 22.5001 -13.0338 GPRESSAVG: 1742200 -42.2148 0.195852 -7.07793 1.88153 9.48655 22.8958 -8.05851 23.9249 -13.886 TIMING: 1742200 CPU: 5183.66, 0.00297725/step Wall: 5183.66, 0.00297725/step, 2.69424 hours remaining, 205.492188 MB of memory in use. ENERGY: 1742200 750.9984 2097.8454 1917.4790 116.8022 -206607.3773 18126.4487 0.0000 0.0000 34395.5811 -149202.2225 300.3852 -183597.8036 -149099.5606 300.0523 267.1300 302.8167 555556.1701 -15.4537 -15.5381 PRESSURE: 1742400 -209.663 -42.9163 41.7138 -42.9154 -105.443 58.8883 41.7128 58.8866 135.576 GPRESSURE: 1742400 -142.074 -28.632 -102.904 47.9376 -92.2183 8.37007 -15.5486 110.331 174.687 PRESSAVG: 1742400 25.078 58.349 35.2042 58.349 -72.159 -5.94586 35.2042 -5.94587 45.6918 GPRESSAVG: 1742400 25.9298 59.5049 34.228 57.4021 -71.7532 -7.04469 37.4473 -5.30257 44.4367 TIMING: 1742400 CPU: 5184.26, 0.00297435/step Wall: 5184.26, 0.00297435/step, 2.69145 hours remaining, 205.492188 MB of memory in use. ENERGY: 1742400 801.4230 2119.5245 1933.2755 108.3370 -206120.7860 17712.7125 0.0000 0.0000 34403.5279 -149041.9857 300.4546 -183445.5135 -148948.9978 299.5959 -59.8432 -19.8684 555969.2976 -0.4630 -0.4622 PRESSURE: 1742600 -254.506 -37.7682 -64.4196 -37.7684 -148.808 -15.9202 -64.4183 -15.9185 100.503 GPRESSURE: 1742600 -212.708 -0.281758 -60.1587 36.5397 -107.797 -2.18267 -51.7051 46.5248 112.298 PRESSAVG: 1742600 -67.303 47.2894 -63.0548 47.2893 -18.5412 26.5887 -63.0548 26.5887 100.143 GPRESSAVG: 1742600 -67.9932 47.788 -60.3352 46.3032 -19.1441 28.884 -65.846 23.806 101.799 TIMING: 1742600 CPU: 5184.85, 0.00297834/step Wall: 5184.85, 0.00297834/step, 2.6949 hours remaining, 205.492188 MB of memory in use. ENERGY: 1742600 730.4332 2153.7702 1955.4636 95.7918 -206051.8765 17664.7796 0.0000 0.0000 34266.4134 -149185.2247 299.2571 -183451.6382 -149094.7921 299.8951 -100.9369 -69.4024 557508.1135 4.7663 4.8874 PRESSURE: 1742800 2.47859 119.651 -190.68 119.65 -146.453 -1.77724 -190.68 -1.77775 -119.949 GPRESSURE: 1742800 49.0388 230.405 -148.248 19.8276 -136.128 30.6775 -160.259 -36.5765 -79.8923 PRESSAVG: 1742800 -21.8235 40.6499 -16.7252 40.6499 -95.0722 25.4541 -16.7252 25.454 95.1803 GPRESSAVG: 1742800 -22.298 40.798 -17.6746 39.3589 -94.8467 22.4526 -16.6485 26.8675 95.3492 TIMING: 1742800 CPU: 5185.45, 0.00296629/step Wall: 5185.45, 0.00296629/step, 2.68383 hours remaining, 205.492188 MB of memory in use. ENERGY: 1742800 720.5844 2101.3673 1965.1452 120.9323 -206218.0867 17726.9085 0.0000 0.0000 34340.6844 -149242.4646 299.9057 -183583.1490 -149148.3874 298.9814 -87.9745 -55.6604 558742.7970 -7.2385 -7.2652 PRESSURE: 1743000 -150.637 -35.9547 -64.7252 -35.9544 -48.0828 102.486 -64.7231 102.485 -46.3081 GPRESSURE: 1743000 -68.9999 77.5452 -2.28067 -59.5034 -53.9261 102.126 -34.9595 77.5183 -24.8095 PRESSAVG: 1743000 95.9412 6.88226 -32.2389 6.88235 -28.4392 29.2429 -32.2388 29.2429 -69.631 GPRESSAVG: 1743000 95.1355 6.77243 -31.8458 8.66938 -28.5603 30.2453 -31.5228 29.843 -69.3608 TIMING: 1743000 CPU: 5186.04, 0.00295566/step Wall: 5186.04, 0.00295566/step, 2.67405 hours remaining, 205.492188 MB of memory in use. ENERGY: 1743000 759.9176 2104.5388 1930.7078 108.0629 -206291.4942 17709.3848 0.0000 0.0000 34319.3947 -149359.4877 299.7198 -183678.8824 -149265.2336 299.1532 -81.6760 -49.2452 557454.9760 -0.7097 -0.9286 PRESSURE: 1743200 -48.0562 38.2453 -27.5837 38.2447 -44.7604 -8.3595 -27.5843 -8.36 -53.0155 GPRESSURE: 1743200 23.2793 33.9795 4.01368 68.1 -59.8278 0.185639 86.54 -38.524 -13.3792 PRESSAVG: 1743200 -16.5193 4.24643 -5.1659 4.24648 5.76063 -26.0305 -5.16589 -26.0305 19.0755 GPRESSAVG: 1743200 -14.2437 3.23273 -5.8943 6.09788 5.5242 -25.5703 -3.41191 -26.0367 17.0867 TIMING: 1743200 CPU: 5186.63, 0.00297378/step Wall: 5186.63, 0.00297378/step, 2.69028 hours remaining, 205.492188 MB of memory in use. ENERGY: 1743200 744.1593 2096.3040 1940.6264 118.3760 -206045.1744 17624.1540 0.0000 0.0000 34215.2582 -149306.2966 298.8104 -183521.5547 -149217.8393 299.0014 -48.6107 -16.6426 556915.9578 2.7723 2.7891 PRESSURE: 1743400 174.181 0.458367 -28.1473 0.458349 -165.447 -30.4553 -28.147 -30.4565 151.855 GPRESSURE: 1743400 176.173 -2.29639 -67.2706 36.7932 -59.474 59.9303 96.072 -33.2644 118.928 PRESSAVG: 1743400 -10.9598 -27.2431 -16.8607 -27.243 16.7543 22.417 -16.8607 22.4168 35.9152 GPRESSAVG: 1743400 -12.2893 -27.1062 -15.0401 -28.278 17.6455 21.8953 -19.6887 24.008 36.331 TIMING: 1743400 CPU: 5187.23, 0.00299115/step Wall: 5187.23, 0.00299115/step, 2.70582 hours remaining, 205.492188 MB of memory in use. ENERGY: 1743400 701.3903 2082.9453 1947.1410 109.6801 -206476.8776 18076.1187 0.0000 0.0000 34208.7182 -149350.8839 298.7532 -183559.6021 -149260.1425 298.9792 53.5296 78.5425 558177.7718 13.9033 13.8957 PRESSURE: 1743600 -111.299 -8.86288 -86.8328 -8.86201 -180.797 -29.1912 -86.832 -29.1897 114.243 GPRESSURE: 1743600 -60.7006 -68.4295 -98.6454 -76.0777 -141.808 -91.4635 -41.4908 -9.01799 124.739 PRESSAVG: 1743600 19.9747 48.9986 5.63984 48.9986 -18.8683 10.6338 5.63993 10.6339 14.1898 GPRESSAVG: 1743600 20.812 49.7393 7.34264 49.6397 -19.8786 11.4186 5.79754 9.16163 14.2178 TIMING: 1743600 CPU: 5187.83, 0.0029817/step Wall: 5187.83, 0.0029817/step, 2.69711 hours remaining, 205.492188 MB of memory in use. ENERGY: 1743600 681.3719 2125.8078 1952.4546 105.3643 -206124.3704 17550.3648 0.0000 0.0000 34194.1389 -149514.8682 298.6259 -183709.0071 -149422.2439 299.7976 -59.2844 -25.9234 556644.0618 5.0987 5.0504 PRESSURE: 1743800 28.1271 -77.4941 -155.146 -77.4933 104.36 -118.257 -155.146 -118.257 -305.562 GPRESSURE: 1743800 73.7394 -102.985 -183.844 -41.861 132.65 -100.012 -114.139 -42.8531 -291.518 PRESSAVG: 1743800 -46.1583 22.0269 -20.0387 22.0267 24.6732 14.2201 -20.0388 14.2202 -1.5727 GPRESSAVG: 1743800 -46.6604 22.4158 -23.6794 20.7196 23.473 15.663 -19.1085 14.1834 0.164875 TIMING: 1743800 CPU: 5188.42, 0.0029681/step Wall: 5188.42, 0.0029681/step, 2.68465 hours remaining, 205.492188 MB of memory in use. ENERGY: 1743800 761.3055 2078.1870 1936.6707 114.2592 -206156.7439 17551.8875 0.0000 0.0000 34161.6556 -149552.7785 298.3422 -183714.4341 -149464.2338 298.7745 -57.6917 -28.3763 556144.7165 -7.6859 -7.6742 PRESSURE: 1744000 2.39821 10.0992 179.959 10.0984 -263.163 23.9721 179.96 23.9731 -116.225 GPRESSURE: 1744000 16.3078 41.894 141.941 21.4429 -197.685 19.2759 267.182 -3.67593 -107.878 PRESSAVG: 1744000 37.6768 11.1624 4.43134 11.1624 -38.0878 43.8927 4.43138 43.8928 -19.9109 GPRESSAVG: 1744000 38.3438 12.718 4.54954 11.5394 -37.7929 44.5137 4.97203 43.3028 -20.6873 TIMING: 1744000 CPU: 5189.02, 0.00299021/step Wall: 5189.02, 0.00299021/step, 2.70448 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: 1744000 743.8002 2009.5923 1940.0326 109.6685 -206132.5061 17625.4739 0.0000 0.0000 34269.2793 -149434.6593 299.2821 -183703.9387 -149336.2769 298.6218 -125.6632 -96.4185 557540.8160 -6.7739 -6.7121 PRESSURE: 1744200 -299.336 40.9905 45.1129 40.9915 -117.122 -47.1078 45.1119 -47.1103 -164.327 GPRESSURE: 1744200 -230.656 -34.5386 -0.785362 62.2657 -102.792 17.1276 157.594 -105.361 -147.445 PRESSAVG: 1744200 15.298 7.63284 5.64815 7.63297 -42.1203 -66.1263 5.64809 -66.1263 37.2634 GPRESSAVG: 1744200 14.9572 6.99109 6.72178 8.28015 -42.4826 -67.0528 6.62749 -66.7833 38.3816 TIMING: 1744200 CPU: 5189.61, 0.002968/step Wall: 5189.61, 0.002968/step, 2.68423 hours remaining, 205.492188 MB of memory in use. ENERGY: 1744200 719.0634 2077.5387 1897.5169 105.7841 -205947.2649 17561.3283 0.0000 0.0000 34192.9195 -149393.1141 298.6153 -183586.0336 -149289.9325 298.6136 -193.5950 -160.2977 559064.0107 3.4804 3.6187 LDB: ============= START OF LOAD BALANCING ============== 5193.04 LDB: ============== END OF LOAD BALANCING =============== 5193.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5193.04 LDB: ============= START OF LOAD BALANCING ============== 5193.34 LDB: Largest compute 4821 load 0.021088 is 17.9% of average load 0.117981 LDB: Average compute 0.001722 is 1.5% of average load 0.117981 LDB: TIME 5193.34 LOAD: AVG 0.117981 MAX 0.197455 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 5193.34 LOAD: AVG 0.117981 MAX 0.197455 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: TIME 5193.34 LOAD: AVG 0.117981 MAX 0.197455 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: ============== END OF LOAD BALANCING =============== 5193.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5193.35 PRESSURE: 1744400 504.671 -66.5038 51.7306 -66.5037 59.3439 -79.9535 51.7303 -79.9544 -59.7238 GPRESSURE: 1744400 534.502 -21.2409 69.6532 -112.935 107.558 -127.021 -14.2875 13.978 -47.4637 PRESSAVG: 1744400 93.0149 18.2436 15.8246 18.2436 -46.4249 -33.7403 15.8246 -33.7404 -54.2945 GPRESSAVG: 1744400 91.963 18.4367 17.0334 18.6017 -44.8649 -33.2486 12.153 -32.2333 -54.858 TIMING: 1744400 CPU: 5190.22, 0.00304347/step Wall: 5190.22, 0.00304347/step, 2.75231 hours remaining, 206.640625 MB of memory in use. ENERGY: 1744400 750.3453 2088.5434 1937.3935 102.7783 -206499.3424 18063.2893 0.0000 0.0000 34129.2025 -149427.7902 298.0588 -183556.9926 -149333.2969 299.0827 168.0970 198.1988 556857.1652 -2.5681 -2.5867 PRESSURE: 1744600 42.3109 -6.58528 -38.575 -6.58433 37.8213 -99.9135 -38.5752 -99.9128 -198.467 GPRESSURE: 1744600 129.145 111.009 -96.3633 -139.906 55.9863 -77.1734 -39.2074 -164.708 -223.444 PRESSAVG: 1744600 37.9071 5.80627 38.8765 5.80618 -27.1167 -22.4997 38.8764 -22.4996 -4.00023 GPRESSAVG: 1744600 39.2767 7.2154 37.7482 2.54492 -27.8693 -24.5355 41.1647 -21.825 -5.16404 TIMING: 1744600 CPU: 5190.81, 0.00296574/step Wall: 5190.81, 0.00296574/step, 2.68185 hours remaining, 206.640625 MB of memory in use. ENERGY: 1744600 757.0481 2062.6135 1947.9983 109.3404 -206351.4928 17911.3350 0.0000 0.0000 34239.9453 -149323.2122 299.0260 -183563.1576 -149230.6424 298.6663 -39.4450 -12.7707 557323.0154 2.2634 2.0811 PRESSURE: 1744800 60.5004 -74.1968 53.1497 -74.1979 3.75137 -50.3251 53.1478 -50.3264 182.908 GPRESSURE: 1744800 100.347 -59.575 16.767 -46.9726 59.7433 -53.4442 -23.5208 49.034 181.786 PRESSAVG: 1744800 49.4916 -9.4431 -41.4522 -9.4431 -51.0711 2.04226 -41.4522 2.04225 -11.6013 GPRESSAVG: 1744800 48.5979 -11.8679 -42.1299 -8.48791 -51.4594 4.65045 -40.894 -0.303082 -10.2687 TIMING: 1744800 CPU: 5191.4, 0.00295477/step Wall: 5191.4, 0.00295477/step, 2.67177 hours remaining, 206.640625 MB of memory in use. ENERGY: 1744800 754.9120 2082.4613 1966.1845 99.5064 -206660.8111 18098.1916 0.0000 0.0000 34291.9268 -149367.6285 299.4799 -183659.5554 -149263.7431 299.3218 82.3866 113.9589 556436.3505 -4.3936 -4.3767 PRESSURE: 1745000 -87.8148 102.326 -10.4398 102.324 282.332 -157.641 -10.4393 -157.64 159.883 GPRESSURE: 1745000 -97.7796 63.1277 8.63044 109.794 301.278 -89.3926 23.8956 -151.035 246.681 PRESSAVG: 1745000 -44.0455 51.0617 14.4696 51.0616 1.02363 5.89386 14.4695 5.8939 11.334 GPRESSAVG: 1745000 -43.3128 50.7947 16.6775 53.0429 1.04312 5.62134 12.7213 7.37991 10.6725 TIMING: 1745000 CPU: 5191.99, 0.00294585/step Wall: 5191.99, 0.00294585/step, 2.66354 hours remaining, 206.640625 MB of memory in use. ENERGY: 1745000 709.8246 2066.9316 1933.7913 105.8025 -206456.1974 17907.2795 0.0000 0.0000 34191.9796 -149540.5883 298.6071 -183732.5679 -149438.6419 298.4515 118.1336 150.0599 556587.5017 -10.5626 -10.5324 PRESSURE: 1745200 40.7476 25.1622 13.4467 25.1634 112.081 -32.663 13.4459 -32.6631 -157.731 GPRESSURE: 1745200 77.9956 44.2886 39.9367 -12.5782 162.101 -30.6885 41.2778 3.10884 -134.895 PRESSAVG: 1745200 -31.8157 19.558 -20.556 19.5581 -8.12541 -28.0352 -20.5558 -28.0352 -24.3097 GPRESSAVG: 1745200 -31.0765 19.2448 -22.5348 19.5553 -8.80626 -28.0352 -18.8492 -28.7326 -23.9613 TIMING: 1745200 CPU: 5192.58, 0.00295509/step Wall: 5192.58, 0.00295509/step, 2.67173 hours remaining, 206.640625 MB of memory in use. ENERGY: 1745200 775.0385 2111.2460 1938.7597 103.4307 -206814.3428 18076.1519 0.0000 0.0000 34213.7607 -149595.9554 298.7973 -183809.7160 -149510.3649 297.9812 -1.6342 35.0672 557929.3607 -21.4169 -21.2813 PRESSURE: 1745400 231.552 -8.62546 -172.79 -8.62669 -7.48848 -62.7275 -172.79 -62.7267 264.361 GPRESSURE: 1745400 288.229 -24.2126 -194.033 -41.6018 44.7763 14.2408 -102.394 -45.7314 246.939 PRESSAVG: 1745400 55.5756 58.9647 -15.9326 58.9647 34.2841 -47.666 -15.9327 -47.666 -128.415 GPRESSAVG: 1745400 53.4767 60.4924 -15.9664 58.8759 35.324 -48.1246 -16.1406 -48.3859 -127.593 TIMING: 1745400 CPU: 5193.18, 0.00295221/step Wall: 5193.18, 0.00295221/step, 2.66896 hours remaining, 206.640625 MB of memory in use. ENERGY: 1745400 730.3716 2046.9697 1952.6340 111.7241 -206621.7565 18083.4556 0.0000 0.0000 34294.5373 -149402.0641 299.5027 -183696.6014 -149313.4371 298.3069 162.8080 193.3149 556511.8008 -12.8517 -12.9308 PRESSURE: 1745600 95.711 -45.7991 -143.136 -45.7995 298.922 1.68314 -143.136 1.68226 179.117 GPRESSURE: 1745600 80.0652 -19.4244 -59.7278 -35.0999 329.589 -60.9698 -66.1238 56.6857 243.45 PRESSAVG: 1745600 37.7902 34.5991 -18.1976 34.5991 -37.4074 -23.5944 -18.1977 -23.5944 3.64364 GPRESSAVG: 1745600 38.2803 33.086 -18.8093 33.6974 -36.6906 -25.8363 -17.4475 -21.2737 2.45414 TIMING: 1745600 CPU: 5193.77, 0.00296184/step Wall: 5193.77, 0.00296184/step, 2.6775 hours remaining, 206.640625 MB of memory in use. ENERGY: 1745600 732.6403 2133.5004 1947.1343 114.1195 -206524.0210 18085.8825 0.0000 0.0000 34012.8205 -149497.9235 297.0424 -183510.7440 -149407.6337 297.9653 191.2499 217.7013 557852.9134 1.3421 1.3480 PRESSURE: 1745800 92.1967 -86.4281 112.634 -86.4276 -208.608 146.285 112.634 146.285 -188.711 GPRESSURE: 1745800 93.4126 -143.897 73.1896 -35.5054 -138.943 147.452 100.094 129.571 -162.186 PRESSAVG: 1745800 39.5246 54 -7.12235 53.9999 39.0226 -9.41794 -7.12233 -9.41794 -62.1517 GPRESSAVG: 1745800 40.4712 55.3231 -5.30182 54.7152 38.2054 -9.15638 -6.64819 -9.32331 -61.6368 TIMING: 1745800 CPU: 5194.36, 0.00294783/step Wall: 5194.36, 0.00294783/step, 2.66468 hours remaining, 206.640625 MB of memory in use. ENERGY: 1745800 757.2437 2098.1060 1924.6853 104.7926 -206167.6111 17757.5800 0.0000 0.0000 34035.3556 -149489.8477 297.2392 -183525.2034 -149394.2914 297.8294 -101.7073 -69.2389 558422.8928 5.4651 5.6799 PRESSURE: 1746000 -87.6096 99.3932 60.1628 99.3949 -26.3473 122.495 60.1631 122.494 -150.844 GPRESSURE: 1746000 -32.6274 151.99 66.188 71.1827 -8.49654 41.0418 17.4819 179.301 -130.265 PRESSAVG: 1746000 -1.21071 13.2021 43.6642 13.2022 12.0206 19.6394 43.6641 19.6393 -49.9594 GPRESSAVG: 1746000 -1.37088 14.4945 42.3328 13.6353 12.1437 18.5199 43.6088 20.0064 -49.3545 TIMING: 1746000 CPU: 5194.95, 0.00294152/step Wall: 5194.95, 0.00294152/step, 2.65881 hours remaining, 206.640625 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: 1746000 751.8686 2046.0396 1930.1950 115.0608 -206527.9461 17934.8232 0.0000 0.0000 34179.4113 -149570.5476 298.4973 -183749.9589 -149475.9818 297.8626 -88.2670 -57.1295 557968.2229 -13.0498 -12.8606 PRESSURE: 1746200 -8.55219 -12.7359 5.17652 -12.7369 16.2832 85.2522 5.17756 85.2533 -76.7057 GPRESSURE: 1746200 -23.5927 -28.3008 32.8189 35.6081 74.1007 62.9838 7.91822 9.40973 -30.4705 PRESSAVG: 1746200 -22.8203 -70.6807 -10.8936 -70.6806 26.1917 -29.5315 -10.8936 -29.5316 1.284 GPRESSAVG: 1746200 -23.1756 -73.7777 -9.17765 -70.6039 25.912 -28.1767 -11.8239 -29.5619 1.4472 TIMING: 1746200 CPU: 5195.53, 0.00293651/step Wall: 5195.53, 0.00293651/step, 2.65411 hours remaining, 206.640625 MB of memory in use. ENERGY: 1746200 754.3151 2073.8801 1924.7391 107.3912 -206368.8109 17739.8746 0.0000 0.0000 34124.5358 -149644.0749 298.0181 -183768.6107 -149542.2185 298.1878 -22.9916 6.6791 556998.2873 1.5518 1.3945 PRESSURE: 1746400 -94.3361 -201.031 -140.036 -201.032 -98.5387 -49.8925 -140.037 -49.8919 -180.337 GPRESSURE: 1746400 -39.462 -238.141 -185.959 -179.551 -70.3571 -95.9155 -205.829 -111.477 -151.788 PRESSAVG: 1746400 -4.76775 11.1624 34.0953 11.1624 30.8423 -8.77444 34.0953 -8.77445 -23.6624 GPRESSAVG: 1746400 -3.38695 13.1523 32.4311 11.0048 31.0635 -9.52519 34.0416 -9.90956 -25.2283 TIMING: 1746400 CPU: 5196.12, 0.00294736/step Wall: 5196.12, 0.00294736/step, 2.66376 hours remaining, 206.640625 MB of memory in use. ENERGY: 1746400 756.2237 2121.1142 1910.3658 125.4923 -206527.1450 17722.4325 0.0000 0.0000 34181.2918 -149710.2247 298.5137 -183891.5165 -149618.1406 297.7290 -124.4040 -87.2025 556915.3996 0.8041 0.8161 PRESSURE: 1746600 282.311 30.4576 91.1179 30.4569 247.029 -177.694 91.1177 -177.693 -163.352 GPRESSURE: 1746600 271.768 25.9258 40.5109 60.0156 294.233 -157.58 138.16 -184.038 -109.257 PRESSAVG: 1746600 20.287 -11.7659 13.4838 -11.7659 36.559 -11.6846 13.4838 -11.6847 -22.0972 GPRESSAVG: 1746600 19.832 -12.7839 15.2814 -12.3546 35.3931 -9.91564 12.2224 -12.2055 -21.1598 TIMING: 1746600 CPU: 5196.71, 0.00294711/step Wall: 5196.71, 0.00294711/step, 2.66337 hours remaining, 206.640625 MB of memory in use. ENERGY: 1746600 737.0612 2132.1980 1941.6435 102.6674 -206754.6839 17889.2968 0.0000 0.0000 34359.6307 -149592.1863 300.0712 -183951.8169 -149495.5519 298.2428 121.9962 152.2481 556856.6988 11.5829 11.3551 PRESSURE: 1746800 -130.158 -167.307 -8.78604 -167.306 -180.835 62.184 -8.78442 62.1853 -189.583 GPRESSURE: 1746800 -136.111 -107.848 -20.7996 -81.8644 -117.073 14.0391 -62.8751 69.049 -151.743 PRESSAVG: 1746800 -90.2573 6.1272 -9.49864 6.12717 -11.1886 -63.4143 -9.49857 -63.4142 91.4017 GPRESSAVG: 1746800 -91.0394 6.48068 -11.5666 6.63785 -10.2998 -64.5015 -6.61063 -64.1369 90.8505 TIMING: 1746800 CPU: 5197.3, 0.00296005/step Wall: 5197.3, 0.00296005/step, 2.6749 hours remaining, 206.640625 MB of memory in use. ENERGY: 1746800 731.6384 2081.8912 1958.2128 114.0679 -206286.0902 17565.6731 0.0000 0.0000 34244.5430 -149590.0638 299.0661 -183834.6068 -149493.8471 297.6644 -166.8587 -134.9758 556883.2316 -3.3481 -3.4962 PRESSURE: 1747000 -15.138 -46.3593 -200.488 -46.3595 -221.258 103.143 -200.489 103.142 137.046 GPRESSURE: 1747000 2.47225 31.5745 -128.009 -110.767 -173.212 111.395 -246.729 10.3699 169.058 PRESSAVG: 1747000 -61.5217 4.89811 -40.9988 4.89804 -45.3671 -2.10922 -40.9987 -2.10927 97.3557 GPRESSAVG: 1747000 -60.4106 4.49487 -39.2393 6.78592 -46.5034 0.0597809 -42.2241 -2.373 97.2546 TIMING: 1747000 CPU: 5197.9, 0.00295845/step Wall: 5197.9, 0.00295845/step, 2.67329 hours remaining, 206.640625 MB of memory in use. ENERGY: 1747000 728.9858 2066.0495 1924.3386 121.2691 -206075.8496 17644.4850 0.0000 0.0000 33998.1653 -149592.5563 296.9144 -183590.7217 -149499.4732 297.7424 -33.1168 -0.5609 557319.4341 -3.1777 -3.2198 PRESSURE: 1747200 139.496 109.501 -31.8559 109.502 166.468 45.1349 -31.8552 45.1341 304.145 GPRESSURE: 1747200 152.493 162.374 -33.5506 91.6279 219.747 -14.5803 4.96179 77.609 338.966 PRESSAVG: 1747200 -27.4974 50.254 -33.4523 50.254 -8.4309 -4.6069 -33.4522 -4.60675 68.2982 GPRESSAVG: 1747200 -28.6645 50.0016 -34.9663 48.9942 -8.07379 -6.89726 -32.5361 -3.8308 68.5138 TIMING: 1747200 CPU: 5198.49, 0.00295942/step Wall: 5198.49, 0.00295942/step, 2.674 hours remaining, 206.640625 MB of memory in use. ENERGY: 1747200 760.2655 2106.3808 1959.8551 102.0679 -206381.4291 17999.6500 0.0000 0.0000 34026.9699 -149426.2399 297.1660 -183453.2098 -149327.0687 298.0695 203.3695 237.0688 557426.7439 10.7900 10.5918 PRESSURE: 1747400 -89.1974 -0.0719292 31.1598 -0.0718186 30.0037 -63.0976 31.1594 -63.097 -91.4744 GPRESSURE: 1747400 -51.4198 -27.9147 110.255 31.7108 38.8624 -73.7086 -51.0852 -90.3757 -41.9835 PRESSAVG: 1747400 -2.50663 85.4428 -38.4072 85.4428 -39.5328 18.1771 -38.4072 18.1772 -8.13031 GPRESSAVG: 1747400 -2.03348 87.2798 -35.6861 87.3897 -40.5644 20.7743 -38.6568 17.7233 -7.45016 TIMING: 1747400 CPU: 5199.08, 0.00293885/step Wall: 5199.08, 0.00293885/step, 2.65525 hours remaining, 206.640625 MB of memory in use. ENERGY: 1747400 756.7923 2131.5460 1973.0846 122.6051 -206246.6159 17696.3697 0.0000 0.0000 34268.1466 -149298.0716 299.2722 -183566.2182 -149203.5054 297.8040 -50.2227 -18.1803 558122.1369 -16.7233 -16.6827 PRESSURE: 1747600 -168.286 -202.727 -20.8818 -202.726 -261.508 41.7014 -20.8809 41.7008 44.477 GPRESSURE: 1747600 -129.457 -203.474 -61.1572 -170.337 -158.841 45.5298 -39.3274 35.308 12.448 PRESSAVG: 1747600 -8.52097 35.7924 2.91958 35.7926 -28.2206 44.6727 2.91953 44.6727 64.6411 GPRESSAVG: 1747600 -8.65747 32.6128 2.00311 34.1424 -28.1523 41.497 1.83415 43.6622 64.3621 TIMING: 1747600 CPU: 5199.67, 0.00296188/step Wall: 5199.67, 0.00296188/step, 2.67589 hours remaining, 206.640625 MB of memory in use. ENERGY: 1747600 759.9937 2134.6097 1997.8043 124.8784 -206619.6175 17922.2346 0.0000 0.0000 34380.3160 -149299.7808 300.2519 -183680.0968 -149205.1798 299.3173 -128.4390 -91.9499 558199.8255 9.2999 9.1841 PRESSURE: 1747800 -121.421 -76.7156 86.2037 -76.7151 58.5328 62.7841 86.204 62.7847 34.4428 GPRESSURE: 1747800 -57.1005 -95.5525 93.746 -175.822 34.6372 36.5359 28.4721 27.8374 91.103 PRESSAVG: 1747800 -10.7899 -64.9752 7.89562 -64.9751 1.28727 -55.1694 7.89555 -55.1693 -17.7031 GPRESSAVG: 1747800 -12.1607 -62.1895 6.10787 -66.0541 3.02778 -56.5278 10.1649 -53.8004 -18.0369 TIMING: 1747800 CPU: 5200.26, 0.00295289/step Wall: 5200.26, 0.00295289/step, 2.6676 hours remaining, 206.640625 MB of memory in use. ENERGY: 1747800 808.6510 2152.4344 1940.6413 124.2168 -206458.0083 18072.9784 0.0000 0.0000 34163.4815 -149195.6050 298.3582 -183359.0865 -149098.0825 299.1949 -9.4819 22.8799 558367.3408 -9.0686 -9.0566 PRESSURE: 1748000 -148.127 -31.7539 28.0158 -31.7532 109.819 71.8545 28.0149 71.8542 -206.946 GPRESSURE: 1748000 -181.983 -0.99964 -20.9047 -62.7877 172.369 106.945 59.3515 75.4512 -146.208 PRESSAVG: 1748000 -11.2909 8.40886 64.6016 8.4089 24.6796 0.366813 64.6016 0.36682 -17.2598 GPRESSAVG: 1748000 -10.8346 7.27064 64.6862 8.73297 23.5444 1.74227 66.48 -0.113731 -16.6882 TIMING: 1748000 CPU: 5200.85, 0.00295563/step Wall: 5200.85, 0.00295563/step, 2.66992 hours remaining, 206.640625 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: 1748000 760.2465 2063.1201 1958.0066 98.1244 -206275.8561 17870.0881 0.0000 0.0000 34276.1777 -149250.0928 299.3424 -183526.2704 -149150.6766 298.9565 -81.7512 -51.9406 558001.4092 -1.2904 -1.3261 PRESSURE: 1748200 -92.8038 -271.428 4.9813 -271.428 106.351 56.1177 4.98253 56.1163 84.6238 GPRESSURE: 1748200 -102.18 -262.785 11.6984 -325.128 145.786 88.0731 -9.53525 114.784 146.37 PRESSAVG: 1748200 -49.6554 7.74808 0.0102012 7.74816 -10.5751 -10.9937 0.0102282 -10.9937 67.4336 GPRESSAVG: 1748200 -48.9112 8.26507 -0.677085 7.43787 -11.9654 -11.7269 -3.64639 -8.82845 67.9846 TIMING: 1748200 CPU: 5201.45, 0.00297907/step Wall: 5201.45, 0.00297907/step, 2.69093 hours remaining, 206.640625 MB of memory in use. ENERGY: 1748200 765.1780 2082.6047 1942.6729 105.5634 -206382.1713 18003.7127 0.0000 0.0000 34428.0871 -149054.3525 300.6690 -183482.4395 -148945.8867 299.2535 32.7236 63.3255 558047.1564 2.4010 2.3693 LDB: ============= START OF LOAD BALANCING ============== 5204.88 LDB: ============== END OF LOAD BALANCING =============== 5204.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5204.88 LDB: ============= START OF LOAD BALANCING ============== 5205.18 LDB: Largest compute 4821 load 0.023265 is 19.7% of average load 0.118055 LDB: Average compute 0.001730 is 1.5% of average load 0.118055 LDB: TIME 5205.18 LOAD: AVG 0.118055 MAX 0.198586 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 5205.18 LOAD: AVG 0.118055 MAX 0.198586 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.348 MB LDB: TIME 5205.18 LOAD: AVG 0.118055 MAX 0.198586 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5205.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5205.19 PRESSURE: 1748400 -205.496 104.181 78.791 104.182 65.9684 -124.756 78.7912 -124.755 76.1806 GPRESSURE: 1748400 -178.699 222.823 108.167 23.2828 136.967 -106.996 116.482 -111.966 72.3781 PRESSAVG: 1748400 18.3868 38.5434 16.3519 38.5434 15.2656 29.6936 16.3519 29.6936 4.25915 GPRESSAVG: 1748400 19.0644 38.1345 16.7017 40.5854 15.618 30.2683 17.9709 27.6023 3.14686 TIMING: 1748400 CPU: 5202.06, 0.00305251/step Wall: 5202.06, 0.00305251/step, 2.7571 hours remaining, 205.226562 MB of memory in use. ENERGY: 1748400 789.0844 2078.0587 1972.9912 119.0749 -206120.3819 17874.2641 0.0000 0.0000 34141.1535 -149145.7551 298.1632 -183286.9086 -149049.7211 299.5305 -21.1157 10.2151 559196.8545 12.6372 12.6097 PRESSURE: 1748600 -46.6937 256.856 4.96733 256.857 117.701 15.649 4.96733 15.649 21.8314 GPRESSURE: 1748600 -38.1886 296.077 0.774509 138.02 178.878 75.1392 -28.6024 -77.7569 55.1571 PRESSAVG: 1748600 -39.6116 101.837 -7.60725 101.837 68.4297 5.86633 -7.60721 5.86628 5.15827 GPRESSAVG: 1748600 -41.4532 103.044 -7.48606 98.1391 69.3829 6.38309 -8.34869 5.54548 6.07931 TIMING: 1748600 CPU: 5202.65, 0.0029868/step Wall: 5202.65, 0.0029868/step, 2.69758 hours remaining, 205.429688 MB of memory in use. ENERGY: 1748600 732.7690 2067.4080 1926.7968 106.6350 -206115.7115 17804.1698 0.0000 0.0000 34374.8154 -149103.1175 300.2038 -183477.9329 -149005.6606 299.1772 30.9463 65.2823 558929.0317 11.3255 11.3363 PRESSURE: 1748800 77.0526 38.9251 130.664 38.9257 -82.0482 71.2096 130.664 71.2117 -129.027 GPRESSURE: 1748800 39.7934 61.1938 113.463 50.712 -37.9227 106.403 117.751 71.9186 -47.139 PRESSAVG: 1748800 16.2534 47.8723 15.9834 47.8722 -21.2904 -1.582 15.9833 -1.58198 9.47551 GPRESSAVG: 1748800 16.6641 46.9148 15.2724 51.475 -22.4295 -1.923 17.415 0.227527 9.864 TIMING: 1748800 CPU: 5203.25, 0.00296361/step Wall: 5203.25, 0.00296361/step, 2.67647 hours remaining, 205.429688 MB of memory in use. ENERGY: 1748800 793.0306 2120.6997 1956.2260 97.4321 -205943.3724 17840.4696 0.0000 0.0000 34041.5678 -149093.9466 297.2935 -183135.5144 -149003.6780 299.4771 -44.6742 -15.0894 558936.0973 1.4795 1.3662 PRESSURE: 1749000 -41.8552 50.5608 -80.6577 50.5616 20.5554 -96.04 -80.6572 -96.0404 59.7138 GPRESSURE: 1749000 -42.8563 135.218 -82.2053 43.1853 70.1073 -139.601 -71.9936 -58.8384 104.603 PRESSAVG: 1749000 32.2069 20.1232 12.3004 20.1232 -56.7474 -38.2864 12.3004 -38.2864 2.69578 GPRESSAVG: 1749000 32.0305 18.122 13.6635 18.5026 -55.5096 -37.6959 9.58706 -39.2377 1.75098 TIMING: 1749000 CPU: 5203.83, 0.00294191/step Wall: 5203.83, 0.00294191/step, 2.65671 hours remaining, 205.429688 MB of memory in use. ENERGY: 1749000 757.1818 2063.6865 1966.1037 123.3480 -206096.8420 17672.2994 0.0000 0.0000 34349.7197 -149164.5030 299.9846 -183514.2227 -149070.7990 299.3647 12.8047 43.9513 559166.8703 -7.2816 -7.2427 PRESSURE: 1749200 67.8792 -52.2213 56.2039 -52.2214 -218.18 30.3702 56.2033 30.3678 47.7396 GPRESSURE: 1749200 50.8901 -5.08 150.976 -76.4057 -149.506 -10.0546 21.0853 -3.39606 85.9347 PRESSAVG: 1749200 20.3278 10.5957 14.6287 10.5957 0.129238 23.1126 14.6286 23.1126 -4.82977 GPRESSAVG: 1749200 21.5405 12.2698 14.3843 9.29033 -1.08346 22.6751 18.3093 22.3154 -4.78655 TIMING: 1749200 CPU: 5204.42, 0.00294663/step Wall: 5204.42, 0.00294664/step, 2.66081 hours remaining, 205.429688 MB of memory in use. ENERGY: 1749200 729.5126 2032.6971 1961.1670 121.0367 -206065.5048 17730.5334 0.0000 0.0000 34273.2690 -149217.2889 299.3170 -183490.5579 -149114.4730 299.4490 -34.1871 -4.2270 557724.0273 5.2091 5.2235 PRESSURE: 1749400 290.545 166.321 110.029 166.323 5.43428 77.954 110.029 77.955 -11.6729 GPRESSURE: 1749400 312.804 183.42 50.9639 183.073 42.0473 138.691 59.428 6.54918 22.1215 PRESSAVG: 1749400 11.386 -7.71346 -53.2555 -7.71348 -53.3244 -71.9626 -53.2555 -71.9626 38.0445 GPRESSAVG: 1749400 11.1296 -7.48164 -54.9198 -4.85655 -53.182 -72.4579 -54.5893 -69.5607 38.3467 TIMING: 1749400 CPU: 5205.01, 0.00294604/step Wall: 5205.01, 0.00294604/step, 2.66011 hours remaining, 205.429688 MB of memory in use. ENERGY: 1749400 757.0086 2072.2582 1967.3225 105.6147 -206169.0336 17987.2409 0.0000 0.0000 34126.1703 -149153.4184 298.0323 -183279.5886 -149057.9586 299.1140 94.7687 125.6576 557159.5939 -1.2980 -1.2352 PRESSURE: 1749600 119.357 179.089 -38.9215 179.089 -80.0371 111.092 -38.921 111.093 -41.8747 GPRESSURE: 1749600 130.929 81.4273 16.9452 260.755 -33.448 5.69392 -10.8473 90.8135 -6.43207 PRESSAVG: 1749600 34.2758 40.9292 -26.5903 40.9291 -10.753 27.6078 -26.5903 27.6078 -67.1334 GPRESSAVG: 1749600 33.954 40.616 -25.1387 38.2008 -10.6834 28.5168 -27.3112 24.4832 -67.3588 TIMING: 1749600 CPU: 5205.6, 0.00295443/step Wall: 5205.6, 0.00295443/step, 2.66752 hours remaining, 205.429688 MB of memory in use. ENERGY: 1749600 742.9714 2058.8903 1940.0656 129.8597 -206047.3760 17767.0349 0.0000 0.0000 34218.0549 -149190.4992 298.8348 -183408.5540 -149090.8275 299.1757 -0.8515 30.3495 557107.1945 -14.5369 -14.6961 PRESSURE: 1749800 55.069 15.9473 -74.5617 15.9454 44.2984 129.088 -74.5613 129.087 -8.65342 GPRESSURE: 1749800 93.1266 74.124 -45.1828 21.0313 92.1749 45.6992 -178.593 177.025 -0.220137 PRESSAVG: 1749800 24.2235 36.7195 -73.2695 36.7196 15.5638 64.2031 -73.2695 64.2031 -44.2211 GPRESSAVG: 1749800 24.5805 37.319 -74.5795 36.284 15.9983 64.7035 -71.5212 63.3542 -45.4907 TIMING: 1749800 CPU: 5206.2, 0.00296802/step Wall: 5206.2, 0.00296802/step, 2.67962 hours remaining, 205.429688 MB of memory in use. ENERGY: 1749800 756.6187 2153.7965 1929.3343 116.9427 -205943.9433 17766.0772 0.0000 0.0000 34146.5878 -149074.5861 298.2106 -183221.1739 -148976.2751 299.5039 30.2380 61.6938 557414.3327 -1.4779 -1.6373 PRESSURE: 1750000 161.214 -92.3744 -14.6467 -92.3741 30.9753 125.69 -14.6457 125.689 298.627 GPRESSURE: 1750000 214.8 -50.5029 -46.5753 -111.9 9.8606 129.318 6.65316 157.579 356.763 PRESSAVG: 1750000 -17.2477 -11.3477 -21.3086 -11.3478 -31.56 38.8439 -21.3087 38.8439 60.9682 GPRESSAVG: 1750000 -18.6485 -11.8358 -21.7645 -9.9665 -32.0756 37.272 -21.3738 41.5026 62.6035 TIMING: 1750000 CPU: 5206.79, 0.00298452/step Wall: 5206.79, 0.00298452/step, 2.69436 hours remaining, 205.429688 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: 1750000 730.6066 2080.6741 1905.8145 111.2547 -206361.8983 18006.5555 0.0000 0.0000 34480.6158 -149046.3771 301.1278 -183526.9929 -148952.8644 299.8133 163.6053 193.8077 557799.8073 4.0535 3.9598 PRESSURE: 1750200 130.426 -2.7472 -90.6631 -2.74817 85.9479 112.675 -90.6628 112.674 123.455 GPRESSURE: 1750200 156.724 -24.0278 -57.4637 73.6536 117.93 108.791 -145.303 118.847 172.575 PRESSAVG: 1750200 24.9554 -17.6129 -9.06203 -17.6131 -5.05658 -20.4212 -9.06198 -20.4212 16.4299 GPRESSAVG: 1750200 25.896 -18.9561 -8.1187 -18.0568 -3.63424 -19.1037 -10.3092 -20.0431 13.7278 TIMING: 1750200 CPU: 5207.39, 0.00299783/step Wall: 5207.39, 0.00299783/step, 2.70621 hours remaining, 205.429688 MB of memory in use. ENERGY: 1750200 750.3247 2083.1541 1918.4817 122.1786 -206011.7070 17943.1502 0.0000 0.0000 34183.5237 -149010.8941 298.5332 -183194.4177 -148914.9809 299.6482 113.2762 149.0763 558993.4336 12.1096 11.9965 PRESSURE: 1750400 9.5669 -0.250261 -60.3917 -0.251102 -198.44 74.4431 -60.3923 74.4428 -111.873 GPRESSURE: 1750400 22.8874 35.2613 -149.388 -110.756 -173.686 79.2524 2.54915 19.7703 -60.0687 PRESSAVG: 1750400 1.96137 -8.17846 -43.0589 -8.17845 7.65655 12.3075 -43.059 12.3076 -41.8337 GPRESSAVG: 1750400 1.72208 -7.48482 -42.7569 -7.87142 6.15756 13.3472 -42.626 9.48402 -39.9909 TIMING: 1750400 CPU: 5207.99, 0.00300345/step Wall: 5207.99, 0.00300345/step, 2.71112 hours remaining, 205.429688 MB of memory in use. ENERGY: 1750400 738.6666 2133.9716 1926.6768 119.2100 -205732.3154 17571.6773 0.0000 0.0000 34286.8075 -148955.3056 299.4352 -183242.1131 -148869.6114 299.5230 -100.2486 -70.2891 557649.5386 -10.7386 -10.7038 PRESSURE: 1750600 19.8605 -98.5794 65.003 -98.5792 81.3425 12.6466 65.005 12.6462 96.9086 GPRESSURE: 1750600 42.6383 -54.0725 128.729 -155.187 99.2431 45.6873 98.1447 -69.407 164.034 PRESSAVG: 1750600 43.9874 5.07761 36.8996 5.07759 -7.9617 2.70926 36.8996 2.70927 -14.0467 GPRESSAVG: 1750600 43.3121 5.3379 35.8227 5.39559 -7.39342 1.11431 37.162 5.49402 -13.8107 TIMING: 1750600 CPU: 5208.6, 0.00301143/step Wall: 5208.6, 0.00301143/step, 2.71815 hours remaining, 205.429688 MB of memory in use. ENERGY: 1750600 749.0248 2090.1469 1960.5505 115.0500 -206482.2362 18075.4189 0.0000 0.0000 34317.6527 -149174.3923 299.7046 -183492.0451 -149077.3002 299.5579 66.0372 101.9718 558252.4203 7.3263 7.3693 PRESSURE: 1750800 -360.176 -11.4162 87.3898 -11.4144 -188.123 -22.3913 87.3909 -22.392 -66.2737 GPRESSURE: 1750800 -364.724 -55.4531 77.9978 13.3173 -101.579 13.199 16.3618 -133.864 -39.2246 PRESSAVG: 1750800 26.2467 -28.351 23.1778 -28.3509 16.3104 12.9087 23.1778 12.9089 -48.5641 GPRESSAVG: 1750800 27.0926 -29.7244 24.7147 -27.8329 16.7798 13.8958 22.9525 10.8939 -49.4017 TIMING: 1750800 CPU: 5209.19, 0.0029799/step Wall: 5209.19, 0.0029799/step, 2.68952 hours remaining, 205.429688 MB of memory in use. ENERGY: 1750800 743.2682 2035.0803 1968.0627 125.3552 -205513.2710 17368.3359 0.0000 0.0000 34312.1181 -148961.0506 299.6563 -183273.1687 -148860.4466 298.9505 -204.8578 -168.5094 559687.0357 -2.0023 -1.8431 PRESSURE: 1751000 -54.9366 117.634 -42.4314 117.632 96.1769 -37.8753 -42.4314 -37.8767 12.5673 GPRESSURE: 1751000 -30.3799 118.844 -31.5688 57.8937 157.024 -53.0661 16.3568 4.8133 27.694 PRESSAVG: 1751000 -56.2763 41.1414 7.57697 41.1414 54.2333 -11.3828 7.5769 -11.3828 11.8651 GPRESSAVG: 1751000 -57.0843 41.9297 6.59457 40.207 54.1427 -11.8914 6.98826 -10.0178 13.0279 TIMING: 1751000 CPU: 5209.79, 0.00297747/step Wall: 5209.79, 0.00297747/step, 2.68717 hours remaining, 205.429688 MB of memory in use. ENERGY: 1751000 721.7264 2078.4247 1940.6088 99.4378 -205752.1555 17636.6453 0.0000 0.0000 34295.5034 -148979.8091 299.5112 -183275.3125 -148889.0888 300.4894 17.9359 51.4460 558580.0019 3.2740 3.3621 PRESSURE: 1751200 100.009 -66.5914 129.943 -66.5914 -12.5012 -209.372 129.943 -209.37 117.996 GPRESSURE: 1751200 156.995 -82.8607 114.329 -8.03378 33.0833 -199.917 143.523 -199.21 114.481 PRESSAVG: 1751200 0.102487 66.3806 1.01419 66.3806 -25.5266 7.05611 1.01415 7.056 12.9688 GPRESSAVG: 1751200 1.34793 66.003 -0.406459 68.1433 -26.5372 8.2703 2.13976 7.24171 12.4086 TIMING: 1751200 CPU: 5210.38, 0.00296853/step Wall: 5210.38, 0.00296853/step, 2.67893 hours remaining, 205.429688 MB of memory in use. ENERGY: 1751200 741.5023 2067.7660 1948.0321 118.8235 -205842.8860 17821.9042 0.0000 0.0000 34284.6274 -148860.2305 299.4162 -183144.8579 -148766.2160 300.0211 68.5013 101.5197 558797.6036 -4.1518 -4.2602 PRESSURE: 1751400 421.674 -116.953 -37.904 -116.953 47.2305 -10.9695 -37.904 -10.97 120.056 GPRESSURE: 1751400 449.144 -102.314 -19.7079 -115.399 57.1516 15.139 -49.9791 -18.6139 174.801 PRESSAVG: 1751400 -19.9105 -25.5657 8.01034 -25.5657 55.6597 0.339559 8.01035 0.339596 -12.6708 GPRESSAVG: 1751400 -22.1977 -24.9268 9.21454 -27.0342 56.275 -0.308373 6.36688 1.144 -11.4007 TIMING: 1751400 CPU: 5210.98, 0.00297853/step Wall: 5210.98, 0.00297853/step, 2.68779 hours remaining, 205.429688 MB of memory in use. ENERGY: 1751400 699.2974 2021.9664 1968.3102 110.2138 -205987.0664 17779.8752 0.0000 0.0000 34542.5370 -148864.8663 301.6686 -183407.4033 -148757.7279 300.0154 196.3200 227.0322 556407.3807 7.6928 7.5589 PRESSURE: 1751600 57.2217 182.134 135.096 182.135 68.5593 -63.4222 135.096 -63.4216 66.7907 GPRESSURE: 1751600 115.352 231.331 100.77 176.919 95.9348 57.2222 244.898 -207.293 71.239 PRESSAVG: 1751600 48.5778 37.3664 -34.8697 37.3664 -57.2218 -6.91345 -34.8697 -6.91339 -2.40134 GPRESSAVG: 1751600 51.1367 36.7811 -32.9954 37.7656 -58.7889 -7.10128 -36.0529 -7.92882 -3.33752 TIMING: 1751600 CPU: 5211.57, 0.00298178/step Wall: 5211.57, 0.00298178/step, 2.69056 hours remaining, 205.429688 MB of memory in use. ENERGY: 1751600 757.3150 2046.0808 1936.6138 100.0357 -206267.5129 17874.5777 0.0000 0.0000 34516.7526 -149036.1373 301.4434 -183552.8899 -148943.2064 300.2084 64.1906 94.1752 557373.2582 -3.6818 -3.6632 PRESSURE: 1751800 0.433141 40.9786 -61.3796 40.9775 -511.046 28.3488 -61.3783 28.3494 -456.764 GPRESSURE: 1751800 -5.03035 -7.76911 -46.3324 91.7578 -427.032 67.7344 -21.0543 -3.08773 -448.878 PRESSAVG: 1751800 36.6684 22.2627 38.8129 22.2627 9.66431 -30.9348 38.8129 -30.9349 -72.0772 GPRESSAVG: 1751800 35.5278 22.1529 37.5091 24.1283 10.9878 -31.4068 40.4448 -30.9062 -71.9239 TIMING: 1751800 CPU: 5212.17, 0.00298799/step Wall: 5212.17, 0.00298799/step, 2.696 hours remaining, 205.429688 MB of memory in use. ENERGY: 1751800 779.5234 2025.3601 1924.5041 114.6585 -205584.7181 17419.3994 0.0000 0.0000 34349.9115 -148971.3611 299.9863 -183321.2727 -148877.2108 299.2981 -322.4589 -293.6465 559321.0638 -8.5815 -8.4695 PRESSURE: 1752000 60.4397 -75.4781 20.7205 -75.4776 325.927 18.0833 20.7214 18.0818 233.047 GPRESSURE: 1752000 149.713 -55.4094 61.5689 -118.531 299.742 26.5888 8.28881 152.11 266.083 PRESSAVG: 1752000 -43.0699 20.7177 27.7509 20.7178 9.80187 5.38645 27.7509 5.38644 -7.72721 GPRESSAVG: 1752000 -42.6413 21.2102 28.2354 18.1172 9.00455 6.38409 28.8506 4.99858 -7.52655 TIMING: 1752000 CPU: 5212.76, 0.00296532/step Wall: 5212.76, 0.00296532/step, 2.67538 hours remaining, 205.429688 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: 1752000 745.7985 2062.5621 1940.8921 115.3418 -206233.4355 17980.8626 0.0000 0.0000 34374.3945 -149013.5838 300.2001 -183387.9784 -148918.2549 299.9719 206.4710 238.5127 555977.6098 -13.6651 -13.7211 PRESSURE: 1752200 -120.069 130.914 81.1558 130.914 -36.6069 89.3528 81.1554 89.3529 -24.4115 GPRESSURE: 1752200 -42.5591 -13.9957 -9.51861 151.742 -34.5152 106.767 139.033 70.2368 -13.26 PRESSAVG: 1752200 -39.9402 4.17545 45.5648 4.17548 5.67178 27.4658 45.5647 27.4656 59.608 GPRESSAVG: 1752200 -40.6018 1.31337 46.618 5.89694 6.51165 25.5098 43.2484 28.4547 59.2091 TIMING: 1752200 CPU: 5213.36, 0.0029681/step Wall: 5213.36, 0.0029681/step, 2.67772 hours remaining, 205.429688 MB of memory in use. ENERGY: 1752200 759.9385 2094.6755 1959.8389 124.1024 -205981.3892 17832.0069 0.0000 0.0000 34202.1207 -149008.7063 298.6956 -183210.8270 -148908.1089 300.3548 -60.3623 -30.1115 557089.8219 8.4465 8.3730 LDB: ============= START OF LOAD BALANCING ============== 5216.78 LDB: ============== END OF LOAD BALANCING =============== 5216.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5216.79 LDB: ============= START OF LOAD BALANCING ============== 5217.09 LDB: Largest compute 4848 load 0.020847 is 17.7% of average load 0.117952 LDB: Average compute 0.001731 is 1.5% of average load 0.117952 LDB: TIME 5217.09 LOAD: AVG 0.117952 MAX 0.196894 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.508 MB LDB: TIME 5217.09 LOAD: AVG 0.117952 MAX 0.196894 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.508 MB LDB: TIME 5217.09 LOAD: AVG 0.117952 MAX 0.196894 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.508 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5217.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5217.09 PRESSURE: 1752400 -100.453 30.3905 -172.881 30.3912 -89.5291 -22.4999 -172.879 -22.5006 11.796 GPRESSURE: 1752400 -130.528 -26.6318 -155.053 46.3661 3.69443 11.704 -211.705 8.10247 20.2918 PRESSAVG: 1752400 -12.9754 -26.7074 -11.4362 -26.7074 11.4905 10.2231 -11.4363 10.2232 -0.978173 GPRESSAVG: 1752400 -13.4521 -23.2352 -13.0558 -29.7888 12.2292 11.7108 -12.3776 9.72235 -1.5416 TIMING: 1752400 CPU: 5213.97, 0.00303464/step Wall: 5213.97, 0.00303464/step, 2.73758 hours remaining, 206.703125 MB of memory in use. ENERGY: 1752400 717.8624 2110.9012 1947.2387 108.2607 -206133.1180 17797.1022 0.0000 0.0000 34366.8469 -149084.9060 300.1342 -183451.7529 -148986.0944 299.6321 -59.3954 -35.5139 558183.2557 -0.8210 -0.9215 PRESSURE: 1752600 -30.1969 84.2363 10.5701 84.236 -164.252 71.7833 10.5694 71.7841 -34.1851 GPRESSURE: 1752600 31.2604 47.1508 -28.3631 41.5864 -125.565 59.7415 -23.9805 84.7882 -48.4214 PRESSAVG: 1752600 11.7202 18.7827 -24.0096 18.7828 54.5661 32.5108 -24.0096 32.5108 1.17975 GPRESSAVG: 1752600 12.1456 18.0238 -24.7867 20.7041 53.3978 31.5112 -21.9586 32.6128 2.03096 TIMING: 1752600 CPU: 5214.56, 0.00298378/step Wall: 5214.56, 0.00298378/step, 2.69153 hours remaining, 206.703125 MB of memory in use. ENERGY: 1752600 761.7928 2114.1672 1940.4856 119.8875 -205853.6750 17658.5032 0.0000 0.0000 34122.0459 -149136.7929 297.9963 -183258.8388 -149044.3073 299.7866 -76.2115 -47.5753 558056.1219 22.4887 22.5248 PRESSURE: 1752800 -111.558 -62.5823 20.9086 -62.5819 -138.245 26.814 20.9082 26.8126 -193.238 GPRESSURE: 1752800 -137.549 -43.0002 25.7807 -53.1126 -96.6113 5.16866 48.3994 41.2839 -117.978 PRESSAVG: 1752800 50.8832 -1.10236 -12.5556 -1.10239 5.29151 21.113 -12.5558 21.1129 -28.6763 GPRESSAVG: 1752800 50.7698 -1.48994 -11.5635 -2.42493 5.43627 21.0505 -14.0133 23.6166 -28.2437 TIMING: 1752800 CPU: 5215.16, 0.00298054/step Wall: 5215.16, 0.00298054/step, 2.68844 hours remaining, 206.703125 MB of memory in use. ENERGY: 1752800 721.3402 2207.0237 1934.3166 105.4548 -206265.9185 17752.9654 0.0000 0.0000 34248.7145 -149296.1033 299.1025 -183544.8178 -149197.8685 298.7991 -147.6802 -117.3795 557950.3146 9.1661 9.3208 PRESSURE: 1753000 25.3593 143.278 -138.768 143.279 147.781 156.238 -138.769 156.237 135.569 GPRESSURE: 1753000 95.7612 63.1118 -53.5225 151.407 199.495 188.923 -194.348 193.819 125.65 PRESSAVG: 1753000 61.4541 -0.580802 -9.03582 -0.580803 -26.0335 -24.335 -9.03586 -24.335 -48.1069 GPRESSAVG: 1753000 61.5063 -0.791871 -9.73886 -0.369955 -26.2779 -22.2118 -8.51159 -26.9893 -48.7897 TIMING: 1753000 CPU: 5215.75, 0.00297087/step Wall: 5215.75, 0.00297087/step, 2.67956 hours remaining, 206.703125 MB of memory in use. ENERGY: 1753000 775.4582 2170.2789 1942.9140 116.2156 -206396.2068 18015.7844 0.0000 0.0000 34095.2390 -149280.3167 297.7622 -183375.5557 -149182.1355 299.2060 102.9032 140.3020 555913.3426 -4.2287 -4.5204 PRESSURE: 1753200 65.9464 63.2943 -203.192 63.2947 106.247 -43.8115 -203.193 -43.8113 -58.1705 GPRESSURE: 1753200 106.906 22.0318 -92.8638 45.1281 81.4505 39.6776 -198.312 -17.3157 35.9448 PRESSAVG: 1753200 63.0511 47.6155 -18.2353 47.6155 -27.3382 69.3292 -18.2354 69.3292 -36.6715 GPRESSAVG: 1753200 63.2481 50.1154 -21.1107 47.0948 -27.4718 68.308 -17.1476 70.9202 -36.4151 TIMING: 1753200 CPU: 5216.35, 0.00298/step Wall: 5216.35, 0.00298/step, 2.68763 hours remaining, 206.703125 MB of memory in use. ENERGY: 1753200 756.3806 2123.2188 1955.6271 105.8388 -206081.3081 17666.8746 0.0000 0.0000 34218.6206 -149254.7475 298.8397 -183473.3681 -149161.2119 299.3633 38.0077 74.7673 556935.7546 -0.3196 -0.2129 PRESSURE: 1753400 -82.3715 -114.18 19.3267 -114.18 125.583 109.178 19.3264 109.178 -14.4537 GPRESSURE: 1753400 -38.079 -110.204 20.6966 -114.107 139.646 108.286 34.256 135.539 18.6651 PRESSAVG: 1753400 31.3815 -26.0947 -21.7092 -26.0947 56.8339 33.0719 -21.7092 33.0719 -89.0908 GPRESSAVG: 1753400 32.8459 -28.0579 -16.4339 -23.6443 55.1607 31.7665 -22.0018 31.5606 -89.2209 TIMING: 1753400 CPU: 5216.95, 0.00299905/step Wall: 5216.95, 0.00299905/step, 2.70464 hours remaining, 206.703125 MB of memory in use. ENERGY: 1753400 703.6057 2153.8155 1963.6346 116.9160 -206036.4250 17743.9300 0.0000 0.0000 34159.5428 -149194.9805 298.3238 -183354.5233 -149096.7232 299.0531 9.5859 40.0775 557414.9965 -0.2918 -0.4047 PRESSURE: 1753600 -265.633 -67.9093 -109.438 -67.9079 -135.875 -11.0346 -109.438 -11.0348 -137.137 GPRESSURE: 1753600 -229.457 -26.7972 -20.4231 -26.4797 -138.298 -104.881 -116.257 29.0614 -77.6582 PRESSAVG: 1753600 -15.4767 -32.8755 4.34776 -32.8755 -7.74161 -38.0575 4.34784 -38.0575 26.4345 GPRESSAVG: 1753600 -15.9584 -33.0494 2.22698 -32.6217 -6.67238 -36.2464 4.79345 -37.6069 25.133 TIMING: 1753600 CPU: 5217.55, 0.0030174/step Wall: 5217.55, 0.0030174/step, 2.72102 hours remaining, 206.703125 MB of memory in use. ENERGY: 1753600 758.7267 2062.0412 1964.4072 98.3405 -206176.3372 17675.3123 0.0000 0.0000 34355.8273 -149261.6820 300.0380 -183617.5093 -149170.2449 299.4020 -179.5484 -148.4711 556871.7421 1.0721 0.8341 PRESSURE: 1753800 191.472 20.4949 -74.2175 20.4942 -6.68829 -6.08536 -74.2172 -6.08443 403.946 GPRESSURE: 1753800 224.037 -85.0446 45.5902 76.1721 87.9241 -38.8573 -124.726 27.4059 377.89 PRESSAVG: 1753800 -32.0664 3.04157 -73.9987 3.04162 5.17923 -19.6139 -73.9986 -19.6138 60.2294 GPRESSAVG: 1753800 -32.851 2.47719 -72.8213 1.09502 5.25319 -21.1987 -76.1783 -19.3771 60.8924 TIMING: 1753800 CPU: 5218.15, 0.00299002/step Wall: 5218.15, 0.00299002/step, 2.69616 hours remaining, 206.703125 MB of memory in use. ENERGY: 1753800 772.1351 2124.7785 1955.6868 104.5984 -206668.8966 18233.8900 0.0000 0.0000 34175.0609 -149302.7468 298.4593 -183477.8077 -149202.5208 299.1440 196.2432 229.9503 555664.5751 11.1141 11.0982 PRESSURE: 1754000 468.166 177.044 3.29104 177.044 124.015 -35.6022 3.29269 -35.6024 181.698 GPRESSURE: 1754000 460.399 184.412 27.343 144.112 199.262 23.108 7.9291 -117.06 213.174 PRESSAVG: 1754000 -20.6785 -31.8758 -49.1968 -31.8758 -0.122295 -9.15674 -49.1968 -9.15678 -0.476376 GPRESSAVG: 1754000 -19.2854 -30.9264 -49.5999 -30.0008 -0.0110363 -8.1729 -48.0589 -9.75476 -1.98939 TIMING: 1754000 CPU: 5218.75, 0.00298252/step Wall: 5218.75, 0.00298252/step, 2.68924 hours remaining, 206.703125 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: 1754000 748.6457 2104.1482 1931.4794 108.5358 -206245.7563 18139.5802 0.0000 0.0000 34228.4309 -148984.9361 298.9254 -183213.3670 -148882.5704 299.4187 257.9596 290.9448 555774.8096 -7.0924 -7.0953 PRESSURE: 1754200 62.1975 -16.1821 9.52516 -16.182 39.5524 -6.58387 9.52435 -6.58443 -52.8187 GPRESSURE: 1754200 63.7405 -30.6449 55.5057 3.26426 54.5687 15.0125 -17.3438 52.6738 22.6214 PRESSAVG: 1754200 14.6234 -64.2441 -45.0274 -64.2441 3.78947 9.7357 -45.0274 9.73569 1.92533 GPRESSAVG: 1754200 12.7329 -65.3438 -45.3158 -65.7367 2.5203 8.28894 -44.3312 11.2601 4.29944 TIMING: 1754200 CPU: 5219.34, 0.00298626/step Wall: 5219.34, 0.00298626/step, 2.69245 hours remaining, 206.703125 MB of memory in use. ENERGY: 1754200 754.6299 2118.0419 1966.2875 118.8145 -206255.0500 17802.8938 0.0000 0.0000 34265.3001 -149229.0823 299.2474 -183494.3824 -149135.3142 299.9954 16.3104 46.9768 556939.1216 6.7794 6.5175 PRESSURE: 1754400 -19.2865 181.836 23.7322 181.835 -231.078 -121.534 23.734 -121.533 -72.9741 GPRESSURE: 1754400 28.6216 141.248 38.7478 164.703 -225.392 -129.262 -19.6498 -124.347 -30.3828 PRESSAVG: 1754400 30.2289 -14.7366 14.4874 -14.7365 -1.5274 24.7493 14.4874 24.7493 -17.445 GPRESSAVG: 1754400 29.289 -14.0165 13.141 -14.4691 0.0939717 25.3529 15.5339 24.9445 -18.8514 TIMING: 1754400 CPU: 5219.94, 0.00297996/step Wall: 5219.94, 0.00297996/step, 2.6866 hours remaining, 206.703125 MB of memory in use. ENERGY: 1754400 751.1154 2140.3228 1943.2126 123.4063 -206131.3113 17525.9000 0.0000 0.0000 34376.5118 -149270.8424 300.2186 -183647.3542 -149174.3414 299.1036 -107.7795 -75.7178 557653.5117 3.7522 3.5105 PRESSURE: 1754600 51.3538 -56.5893 59.6433 -56.5899 -62.5416 -140.153 59.6427 -140.151 -130.101 GPRESSURE: 1754600 64.9696 -96.871 -40.2148 -16.9898 -62.0969 -129.534 137.861 -189.708 -46.1905 PRESSAVG: 1754600 2.26313 -31.7353 -37.9765 -31.7354 -15.4395 6.06394 -37.9764 6.06386 -14.3702 GPRESSAVG: 1754600 2.41573 -30.2317 -37.9388 -33.4022 -15.1393 3.8507 -39.9303 5.1145 -14.4023 TIMING: 1754600 CPU: 5220.53, 0.00296721/step Wall: 5220.53, 0.00296721/step, 2.67494 hours remaining, 206.703125 MB of memory in use. ENERGY: 1754600 758.9381 2162.0337 1941.7093 106.6987 -206232.6853 17805.2254 0.0000 0.0000 34272.0720 -149186.0082 299.3065 -183458.0801 -149096.5904 298.8960 -47.0963 -14.4392 557501.4917 -9.1822 -9.0420 PRESSURE: 1754800 99.315 -39.1134 172.491 -39.1138 -31.6008 94.6916 172.491 94.6916 -34.6525 GPRESSURE: 1754800 158.24 -51.312 259.449 -79.8035 -24.5866 135.215 138.41 90.1024 1.5979 PRESSAVG: 1754800 3.9371 -16.3168 35.0675 -16.3168 -36.6828 -14.8961 35.0675 -14.896 14.7812 GPRESSAVG: 1754800 4.79426 -17.7695 33.6794 -13.5401 -37.381 -12.2263 38.2671 -16.3977 14.5652 TIMING: 1754800 CPU: 5221.13, 0.00297934/step Wall: 5221.13, 0.00297934/step, 2.68571 hours remaining, 206.703125 MB of memory in use. ENERGY: 1754800 723.4559 2128.9282 1965.7862 120.5312 -206404.2832 17858.5033 0.0000 0.0000 34511.9662 -149095.1122 301.4016 -183607.0784 -149004.9817 299.6211 11.0206 45.0837 558057.5471 -5.9882 -6.0072 PRESSURE: 1755000 59.5492 -243.308 -137.536 -243.308 170.598 117.603 -137.537 117.603 111.383 GPRESSURE: 1755000 103.516 -244.825 -128.918 -190.98 166.077 99.7871 -181.389 137.191 173.897 PRESSAVG: 1755000 -18.0507 -41.6049 -14.4877 -41.6051 28.314 57.4216 -14.4877 57.4215 0.550093 GPRESSAVG: 1755000 -17.2998 -40.8333 -12.8139 -43.0322 27.8346 57.7227 -17.1397 58.7586 0.734065 TIMING: 1755000 CPU: 5221.72, 0.00297414/step Wall: 5221.72, 0.00297414/step, 2.68085 hours remaining, 206.703125 MB of memory in use. ENERGY: 1755000 732.4079 2169.5790 1932.3685 117.8685 -206193.9177 17939.3625 0.0000 0.0000 34222.9110 -149079.4203 298.8772 -183302.3314 -148981.3276 299.6980 113.8434 147.8296 559243.3415 3.6045 3.7563 PRESSURE: 1755200 43.646 -0.951338 48.9697 -0.950903 -89.3844 2.73375 48.9694 2.7355 -143.233 GPRESSURE: 1755200 87.961 62.1983 38.5606 -48.162 -71.1512 -77.0385 58.6066 42.6979 -120.261 PRESSAVG: 1755200 -1.55586 17.4722 -27.6265 17.4722 22.259 12.6041 -27.6265 12.6041 -31.8556 GPRESSAVG: 1755200 -3.29289 17.744 -27.7112 17.4092 23.0531 11.0896 -26.9394 12.1438 -30.4342 TIMING: 1755200 CPU: 5222.32, 0.00299098/step Wall: 5222.32, 0.00299098/step, 2.69587 hours remaining, 206.703125 MB of memory in use. ENERGY: 1755200 723.1658 2095.0254 1936.6672 110.9048 -206004.0397 17753.2969 0.0000 0.0000 34402.2059 -148982.7737 300.4430 -183384.9796 -148887.5046 300.0757 -62.9906 -34.4836 557402.8761 -3.7175 -3.5580 PRESSURE: 1755400 29.9227 -2.09565 71.9017 -2.09637 -27.1369 59.8811 71.9017 59.8815 -9.64869 GPRESSURE: 1755400 12.0887 -8.41691 114.082 21.9647 14.6778 121.397 51.4117 97.2099 67.2185 PRESSAVG: 1755400 10.6096 28.848 -14.5765 28.848 15.3191 -20.0353 -14.5764 -20.0353 -26.4647 GPRESSAVG: 1755400 11.0321 27.8496 -13.8877 29.7444 15.5676 -20.0252 -17.2107 -19.6725 -27.2764 TIMING: 1755400 CPU: 5222.92, 0.00298188/step Wall: 5222.92, 0.00298188/step, 2.68751 hours remaining, 206.703125 MB of memory in use. ENERGY: 1755400 748.8076 2112.0291 1928.5307 117.4233 -206196.8941 17975.3144 0.0000 0.0000 34316.0873 -148998.7017 299.6909 -183314.7891 -148899.0150 300.0271 -2.2876 31.3284 557131.4415 -0.1787 -0.2256 PRESSURE: 1755600 -415.86 94.7236 -5.21534 94.7234 -187.324 47.1131 -5.21584 47.113 -290.156 GPRESSURE: 1755600 -389.802 228.877 -93.1022 53.822 -142.034 101.447 -15.3168 29.774 -268.888 PRESSAVG: 1755600 27.3698 41.7125 61.8775 41.7124 -17.6828 30.5498 61.8774 30.5499 7.78181 GPRESSAVG: 1755600 27.7281 41.5436 60.0531 40.6881 -18.3087 30.0797 64.6359 29.9927 7.57971 TIMING: 1755600 CPU: 5223.51, 0.0029834/step Wall: 5223.51, 0.0029834/step, 2.68871 hours remaining, 206.703125 MB of memory in use. ENERGY: 1755600 763.5588 2079.1682 1972.0758 114.1933 -205972.1971 17566.9624 0.0000 0.0000 34361.0048 -149115.2338 300.0832 -183476.2386 -149017.6778 300.1751 -297.7799 -266.9080 559260.9647 5.8230 5.6664 PRESSURE: 1755800 -246.837 70.1171 -22.9621 70.1186 -176.454 -55.0868 -22.963 -55.0862 -9.83096 GPRESSURE: 1755800 -192.057 99.3864 -117.489 35.7011 -138.158 -72.5162 28.1229 -10.8888 -26.2937 PRESSAVG: 1755800 56.344 21.6998 4.84119 21.6998 -45.2675 -31.2237 4.84108 -31.2238 -2.54924 GPRESSAVG: 1755800 57.3904 23.4013 5.72398 23.4794 -46.7785 -30.1799 3.46832 -32.5408 -1.94955 TIMING: 1755800 CPU: 5224.11, 0.00297814/step Wall: 5224.11, 0.00297814/step, 2.6838 hours remaining, 206.703125 MB of memory in use. ENERGY: 1755800 725.4441 2131.3635 1936.1309 121.8503 -206132.3719 17617.8503 0.0000 0.0000 34734.9839 -148864.7489 303.3493 -183599.7328 -148763.1777 300.4726 -144.3742 -118.8361 559657.1393 2.8424 2.8875 PRESSURE: 1756000 -139.695 -48.2801 -76.96 -48.2798 -74.8503 -66.45 -76.959 -66.4498 -155.423 GPRESSURE: 1756000 -86.2928 -41.2983 -101.309 -55.1674 -10.8803 49.5252 -127.169 -131.196 -165.574 PRESSAVG: 1756000 20.8507 2.73272 26.3734 2.73269 -1.17774 11.6244 26.3735 11.6245 -12.2849 GPRESSAVG: 1756000 21.4929 -0.763222 26.2105 2.79908 -0.149211 11.3654 24.7932 12.765 -14.1362 TIMING: 1756000 CPU: 5224.71, 0.00298951/step Wall: 5224.71, 0.00298951/step, 2.69388 hours remaining, 206.703125 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: 1756000 729.1455 2092.7328 1921.6476 120.7994 -205806.4047 17533.9041 0.0000 0.0000 34367.6774 -149040.4979 300.1415 -183408.1753 -148944.5552 300.3211 -123.3229 -87.5824 557052.2036 2.4627 2.4025 PRESSURE: 1756200 275.993 7.56365 37.4595 7.56265 -107.257 -199.22 37.4604 -199.22 252.467 GPRESSURE: 1756200 303.447 16.736 50.4014 28.594 -68.0142 -170.683 46.3497 -246.272 287.289 PRESSAVG: 1756200 51.0597 -18.9608 -52.1628 -18.9608 -46.0191 -33.3498 -52.1628 -33.3498 27.6894 GPRESSAVG: 1756200 49.1621 -16.1187 -52.4425 -20.0409 -45.2755 -33.0948 -50.7989 -33.3176 28.6395 TIMING: 1756200 CPU: 5225.3, 0.00296024/step Wall: 5225.3, 0.00296024/step, 2.66734 hours remaining, 206.703125 MB of memory in use. ENERGY: 1756200 724.5984 2094.2612 1951.0597 106.4412 -206601.4042 18046.2582 0.0000 0.0000 34379.3224 -149299.4629 300.2432 -183678.7854 -149210.1121 299.7778 140.4008 174.2403 557147.7943 10.9100 10.8421 LDB: ============= START OF LOAD BALANCING ============== 5228.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5228.73 LDB: =============== DONE WITH MIGRATION ================ 5228.73 LDB: ============= START OF LOAD BALANCING ============== 5229.03 LDB: Largest compute 4847 load 0.021481 is 18.2% of average load 0.118015 LDB: Average compute 0.001722 is 1.5% of average load 0.118015 LDB: TIME 5229.03 LOAD: AVG 0.118015 MAX 0.199935 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 5229.03 LOAD: AVG 0.118015 MAX 0.199934 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 5229.03 LOAD: AVG 0.118015 MAX 0.199934 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 5229.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5229.04 PRESSURE: 1756400 3.91929 31.8068 13.8687 31.8068 -111.092 78.0101 13.8679 78.0086 -225.559 GPRESSURE: 1756400 15.1154 72.7915 -17.2587 28.5282 -115.647 59.3821 130.125 88.2478 -136.379 PRESSAVG: 1756400 77.3275 -36.8832 17.2188 -36.8833 -83.6058 -59.1386 17.2188 -59.1386 1.38272 GPRESSAVG: 1756400 78.6939 -38.158 19.2562 -35.6045 -84.8054 -58.5538 17.0446 -59.4431 0.827387 TIMING: 1756400 CPU: 5225.91, 0.00305267/step Wall: 5225.91, 0.00305267/step, 2.75045 hours remaining, 205.429688 MB of memory in use. ENERGY: 1756400 766.5802 2026.2185 1936.8041 110.9922 -205813.4892 17623.3964 0.0000 0.0000 33952.1390 -149397.3587 296.5125 -183349.4978 -149298.1481 298.5696 -110.9108 -78.9702 557070.3645 -1.6319 -1.7614 PRESSURE: 1756600 -171.178 -33.9383 -32.5756 -33.938 -332.618 14.9045 -32.5745 14.9046 -98.1619 GPRESSURE: 1756600 -135.267 31.46 -33.9544 39.7002 -276.135 -110.451 -41.6791 65.5624 -93.1466 PRESSAVG: 1756600 11.2649 30.6507 49.4875 30.6506 -71.1161 0.148644 49.4876 0.148714 37.468 GPRESSAVG: 1756600 9.94961 32.1742 48.1128 28.1074 -71.9641 -2.57238 51.7855 1.552 38.9467 TIMING: 1756600 CPU: 5226.5, 0.00296116/step Wall: 5226.5, 0.00296116/step, 2.66784 hours remaining, 205.429688 MB of memory in use. ENERGY: 1756600 764.8014 2125.5643 1951.3456 111.0715 -205898.7028 17547.7980 0.0000 0.0000 34236.7917 -149161.3304 298.9984 -183398.1221 -149065.1742 298.8024 -200.6527 -168.1830 557065.2160 -7.4611 -7.6893 PRESSURE: 1756800 -47.691 -76.3124 -13.8098 -76.3134 -383.501 136.896 -13.8104 136.896 -8.7389 GPRESSURE: 1756800 -55.6292 -46.6033 -53.0813 -174.098 -337.876 91.2359 57.6936 111.503 54.4312 PRESSAVG: 1756800 37.258 -54.5934 -24.0274 -54.5934 -19.3148 -47.1188 -24.0274 -47.1187 -30.3197 GPRESSAVG: 1756800 36.5793 -55.2729 -25.1782 -53.8392 -18.3709 -47.0032 -26.2017 -46.2019 -30.3961 TIMING: 1756800 CPU: 5227.09, 0.0029388/step Wall: 5227.09, 0.0029388/step, 2.64754 hours remaining, 205.429688 MB of memory in use. ENERGY: 1756800 773.2667 2050.9304 1939.9989 111.4033 -206003.8560 17570.8194 0.0000 0.0000 34534.5923 -149022.8451 301.5992 -183557.4374 -148927.8008 299.1946 -146.6437 -113.0247 558409.8562 -4.1255 -4.0626 PRESSURE: 1757000 -219.303 62.5193 -42.4484 62.5209 -157.062 -67.7448 -42.4499 -67.7462 -154.228 GPRESSURE: 1757000 -209.609 125.44 -35.5964 60.3025 -112.185 -95.2672 -48.0769 -55.5676 -108.93 PRESSAVG: 1757000 51.7247 -44.1229 10.8255 -44.123 -42.5742 -24.8999 10.8255 -24.8999 -9.39387 GPRESSAVG: 1757000 52.7938 -44.8518 12.0057 -42.193 -42.6081 -22.8193 11.9081 -26.1105 -10.404 TIMING: 1757000 CPU: 5227.69, 0.00297434/step Wall: 5227.69, 0.00297434/step, 2.67938 hours remaining, 205.429688 MB of memory in use. ENERGY: 1757000 752.3311 2057.0682 1954.5002 114.9613 -205874.5208 17482.1339 0.0000 0.0000 34288.9287 -149224.5974 299.4537 -183513.5261 -149127.1353 299.7755 -176.8645 -143.5747 557771.1470 -0.0811 -0.0728 PRESSURE: 1757200 181.85 -138.761 -66.2593 -138.763 -47.6242 37.824 -66.2589 37.8244 -75.6609 GPRESSURE: 1757200 211.448 -134.055 -94.3323 -112.306 -26.6336 27.9651 -93.4032 -56.3451 -30.5934 PRESSAVG: 1757200 -9.71137 -56.3735 60.462 -56.3735 29.7359 10.4214 60.462 10.4212 -29.7648 GPRESSAVG: 1757200 -9.72726 -57.032 62.7194 -56.6489 30.5547 9.60418 58.201 9.98509 -30.3416 TIMING: 1757200 CPU: 5228.28, 0.00296431/step Wall: 5228.28, 0.00296431/step, 2.67018 hours remaining, 205.429688 MB of memory in use. ENERGY: 1757200 761.9955 2005.9931 1965.4337 110.9616 -206350.9740 17887.7157 0.0000 0.0000 34256.2591 -149362.6153 299.1684 -183618.8743 -149262.7183 298.6718 19.5216 51.4071 557262.5312 -3.2468 -3.1714 PRESSURE: 1757400 47.6427 54.1951 32.4202 54.1958 8.0397 -68.8879 32.4199 -68.8879 5.29721 GPRESSURE: 1757400 84.5699 22.9815 -11.3384 53.667 59.4522 -83.0295 34.6761 -172.442 5.49255 PRESSAVG: 1757400 21.9365 24.1327 13.5167 24.1326 -45.9011 31.9655 13.5167 31.9654 -17.5438 GPRESSAVG: 1757400 21.3827 25.2283 11.4393 23.0478 -46.3248 32.4713 15.592 33.6126 -16.9921 TIMING: 1757400 CPU: 5228.87, 0.00294853/step Wall: 5228.87, 0.00294853/step, 2.65581 hours remaining, 205.429688 MB of memory in use. ENERGY: 1757400 725.4315 2051.3463 1950.1603 117.1599 -206244.5539 17851.4495 0.0000 0.0000 34278.5995 -149270.4068 299.3635 -183549.0063 -149173.2141 298.9185 20.3265 49.8382 556525.1392 -13.8361 -13.9781 PRESSURE: 1757600 34.1748 142.813 25.7795 142.814 0.741722 -142.322 25.78 -142.323 -134.496 GPRESSURE: 1757600 66.6868 -10.4919 44.221 171.163 5.61703 -124.214 -20.8176 -131.842 -79.165 PRESSAVG: 1757600 29.559 64.0228 -5.9563 64.0228 37.6907 -30.2635 -5.95624 -30.2634 -36.1542 GPRESSAVG: 1757600 30.3486 64.2061 -6.21407 63.8317 37.8763 -30.4434 -5.84957 -30.9301 -36.7649 TIMING: 1757600 CPU: 5229.46, 0.00296698/step Wall: 5229.46, 0.00296698/step, 2.67226 hours remaining, 205.429688 MB of memory in use. ENERGY: 1757600 738.7165 2044.8926 1948.1260 123.7830 -206019.7496 17603.6759 0.0000 0.0000 34112.3922 -149448.1634 297.9120 -183560.5557 -149356.3743 299.1898 -33.1933 -2.2871 557016.2817 10.3652 10.4867 PRESSURE: 1757800 -262.226 201.109 -72.564 201.108 -229.907 -5.30005 -72.5638 -5.29967 -181.65 GPRESSURE: 1757800 -183.611 228.739 -100.492 156.249 -204.822 -4.63313 -59.1901 -29.1263 -187.94 PRESSAVG: 1757800 29.4698 38.3138 -6.1756 38.3138 -25.906 -4.81978 -6.17553 -4.81982 2.92903 GPRESSAVG: 1757800 29.2567 36.6308 -6.30027 40.252 -26.1071 -4.95253 -6.03386 -5.27678 3.4327 TIMING: 1757800 CPU: 5230.05, 0.00295713/step Wall: 5230.05, 0.00295713/step, 2.66322 hours remaining, 205.429688 MB of memory in use. ENERGY: 1757800 707.5432 2096.5295 1963.7340 114.0425 -206142.7129 17407.7734 0.0000 0.0000 34298.5269 -149554.5634 299.5376 -183853.0903 -149453.2978 298.5442 -224.5943 -192.1241 556511.8961 2.1643 2.1941 PRESSURE: 1758000 15.1834 -25.3932 53.2825 -25.3928 -117.298 -113.569 53.2834 -113.57 -66.259 GPRESSURE: 1758000 65.806 29.6467 11.4781 -106.129 -88.6577 -197.061 105.464 -64.5582 -53.4798 PRESSAVG: 1758000 -65.27 55.9676 -0.889016 55.9677 47.5591 1.78594 -0.889062 1.78597 -2.06114 GPRESSAVG: 1758000 -64.9457 56.9985 -0.846372 52.1549 47.2838 1.55842 -0.529076 0.708565 -2.18341 TIMING: 1758000 CPU: 5230.65, 0.00297899/step Wall: 5230.65, 0.00297899/step, 2.68275 hours remaining, 205.429688 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: 1758000 721.9822 2058.1462 1950.3338 118.2998 -206206.2267 17555.1524 0.0000 0.0000 34372.5486 -149429.7637 300.1840 -183802.3123 -149326.7371 298.1279 -56.1246 -25.4439 555323.1884 -6.5907 -6.6151 PRESSURE: 1758200 -50.8317 85.0146 -34.8025 85.0158 101.947 177.099 -34.803 177.1 82.882 GPRESSURE: 1758200 -67.5963 34.9127 -30.9775 130.34 120.884 197.786 -29.4246 148.108 180.81 PRESSAVG: 1758200 30.7336 6.57782 -55.7161 6.5779 -2.55882 -22.8534 -55.7161 -22.8533 -4.44051 GPRESSAVG: 1758200 31.2074 6.41918 -55.8057 8.32181 -3.48976 -22.4793 -56.9468 -20.3138 -3.64547 TIMING: 1758200 CPU: 5231.24, 0.00297304/step Wall: 5231.24, 0.00297304/step, 2.67722 hours remaining, 205.429688 MB of memory in use. ENERGY: 1758200 721.1067 2029.6481 1957.4399 115.8304 -206162.3209 17785.1970 0.0000 0.0000 34294.3363 -149258.7625 299.5010 -183553.0988 -149165.1683 298.6013 44.6658 78.0327 555322.2546 7.9114 8.0241 PRESSURE: 1758400 -9.86612 -110.214 -58.1016 -110.215 -154.029 114.019 -58.1022 114.019 -182.664 GPRESSURE: 1758400 26.2117 -137.237 -20.0916 -103.07 -91.8656 160.271 20.045 111.034 -197.316 PRESSAVG: 1758400 29.7103 -18.291 2.70353 -18.2913 30.4031 34.5653 2.7035 34.5653 -11.0044 GPRESSAVG: 1758400 28.8492 -16.5631 1.85945 -18.4679 32.2698 33.4308 2.46814 33.9494 -12.0082 TIMING: 1758400 CPU: 5231.84, 0.00297992/step Wall: 5231.84, 0.00297992/step, 2.68325 hours remaining, 205.429688 MB of memory in use. ENERGY: 1758400 769.3537 2089.5911 1927.8478 108.0550 -205806.9044 17542.4445 0.0000 0.0000 34123.9428 -149245.6695 298.0129 -183369.6123 -149150.5166 299.2354 -115.5196 -87.6566 556339.9952 16.3697 16.3703 PRESSURE: 1758600 137.565 -94.5761 8.60346 -94.5765 114.127 -0.926475 8.60351 -0.928308 195.357 GPRESSURE: 1758600 143.244 -115.123 0.719559 -90.7459 186.114 -41.1352 -56.8407 28.6246 206.39 PRESSAVG: 1758600 -21.5829 -5.73268 19.9612 -5.73269 14.8782 7.05275 19.9613 7.05279 14.887 GPRESSAVG: 1758600 -20.4926 -7.73688 21.3598 -5.84856 13.6653 6.50386 19.5863 8.10444 14.8479 TIMING: 1758600 CPU: 5232.43, 0.00297378/step Wall: 5232.43, 0.00297378/step, 2.67756 hours remaining, 205.429688 MB of memory in use. ENERGY: 1758600 760.8560 2104.3692 1948.7984 96.9515 -206220.9769 17991.8309 0.0000 0.0000 34066.0600 -149252.1110 297.5074 -183318.1709 -149163.5472 299.6429 149.0164 178.5831 555207.3323 2.7274 2.6735 PRESSURE: 1758800 18.0633 31.701 -24.2609 31.7012 -178.542 53.9904 -24.2613 53.9895 202.624 GPRESSURE: 1758800 49.2356 17.2612 -125.685 -27.5919 -129.289 84.068 70.1074 131.564 224.963 PRESSAVG: 1758800 -50.9509 -7.15373 -68.191 -7.15369 -25.617 45.7272 -68.1911 45.7272 65.1269 GPRESSAVG: 1758800 -51.2192 -7.76079 -69.5165 -7.89031 -24.4524 47.0492 -68.4405 44.1937 64.1278 TIMING: 1758800 CPU: 5233.03, 0.00296065/step Wall: 5233.03, 0.00296065/step, 2.66558 hours remaining, 205.429688 MB of memory in use. ENERGY: 1758800 788.1913 2089.9235 1956.5189 115.5863 -206417.8405 17841.7986 0.0000 0.0000 34490.6267 -149135.1952 301.2152 -183625.8219 -149037.6251 299.5881 14.0487 48.3032 556172.2818 -3.8137 -3.8479 PRESSURE: 1759000 -190.161 -106.896 42.8096 -106.894 -83.5514 -109.826 42.8096 -109.825 -179.781 GPRESSURE: 1759000 -110.644 -107.517 -6.90531 -14.1931 -70.8346 -151.299 48.539 -107.148 -166.797 PRESSAVG: 1759000 29.5727 28.6954 -7.06254 28.6955 50.7242 -54.6227 -7.06249 -54.6228 -38.0957 GPRESSAVG: 1759000 30.137 30.4966 -5.05923 30.1606 49.6614 -55.1977 -7.01047 -54.5195 -37.4946 TIMING: 1759000 CPU: 5233.62, 0.00296032/step Wall: 5233.62, 0.00296032/step, 2.66511 hours remaining, 205.429688 MB of memory in use. ENERGY: 1759000 755.3095 2094.8117 1933.1339 112.7217 -205696.1358 17612.3965 0.0000 0.0000 34004.1250 -149183.6376 296.9665 -183187.7626 -149091.8197 299.6584 -151.1644 -116.0918 558553.4307 14.0670 14.1013 PRESSURE: 1759200 69.7919 18.9749 170.327 18.975 -325.359 21.6585 170.329 21.6587 -55.1689 GPRESSURE: 1759200 43.4269 95.197 168.779 -44.0564 -266.392 67.174 153.048 -72.3893 1.96733 PRESSAVG: 1759200 -3.53207 33.6854 11.4929 33.6853 -17.3306 21.2208 11.4929 21.2207 30.7939 GPRESSAVG: 1759200 -4.67158 32.0366 11.5064 33.3397 -16.4848 20.835 12.439 23.1948 30.9597 TIMING: 1759200 CPU: 5234.21, 0.00296483/step Wall: 5234.21, 0.00296483/step, 2.66901 hours remaining, 205.429688 MB of memory in use. ENERGY: 1759200 763.1330 2048.1591 1931.3213 112.7996 -206040.8064 17620.1023 0.0000 0.0000 34295.6384 -149269.6528 299.5123 -183565.2913 -149167.3483 298.8730 -103.5788 -73.6660 557902.4685 3.3104 3.2678 PRESSURE: 1759400 -176.674 -135.39 172.72 -135.39 -412.577 36.0068 172.72 36.0056 -51.0664 GPRESSURE: 1759400 -120.237 -142.561 98.3206 -159.411 -389.977 101.961 263.47 -7.68003 -38.9778 PRESSAVG: 1759400 -17.6717 -15.5616 43.7689 -15.5616 -43.5013 25.8926 43.7689 25.8925 51.9633 GPRESSAVG: 1759400 -18.0775 -15.1124 42.2056 -16.9055 -43.4492 26.2208 43.9713 24.0054 51.7201 TIMING: 1759400 CPU: 5234.8, 0.00296635/step Wall: 5234.8, 0.00296635/step, 2.67021 hours remaining, 205.429688 MB of memory in use. ENERGY: 1759400 722.3668 2093.7361 1941.8966 117.2478 -205809.0845 17410.4877 0.0000 0.0000 34098.8124 -149424.5370 297.7934 -183523.3495 -149326.7948 298.7259 -213.4391 -183.0640 557498.1336 -3.0699 -3.2689 PRESSURE: 1759600 -36.5513 97.1371 18.7324 97.1393 2.09558 81.2674 18.7299 81.2672 35.2288 GPRESSURE: 1759600 -14.0346 121.295 20.7716 116.052 30.6918 117.34 -1.62826 126.039 81.7801 PRESSAVG: 1759600 2.30507 21.7893 5.71983 21.7893 56.005 26.8151 5.71976 26.8151 27.4341 GPRESSAVG: 1759600 2.55647 21.9538 6.46061 22.2576 55.4111 26.163 4.22491 27.3444 28.1773 TIMING: 1759600 CPU: 5235.4, 0.00295921/step Wall: 5235.4, 0.00295921/step, 2.66362 hours remaining, 205.429688 MB of memory in use. ENERGY: 1759600 725.7745 2154.9615 1959.1949 123.3758 -205992.2768 17786.6977 0.0000 0.0000 33971.3146 -149270.9579 296.6799 -183242.2725 -149172.6662 298.2902 0.2577 32.8124 558240.2857 28.5814 28.7150 PRESSURE: 1759800 11.3777 111.041 -127.671 111.041 -156.375 -38.2808 -127.672 -38.2813 111.694 GPRESSURE: 1759800 39.9498 29.7011 -72.5725 188.696 -100.792 21.0946 -151.471 -66.7184 129.78 PRESSAVG: 1759800 37.5724 25.0103 -1.07461 25.0104 22.4159 80.8483 -1.07468 80.8484 -57.3381 GPRESSAVG: 1759800 38.0444 25.5449 -1.10589 25.3264 22.2269 81.7842 0.362146 79.6335 -58.0937 TIMING: 1759800 CPU: 5235.99, 0.0029902/step Wall: 5235.99, 0.0029902/step, 2.69134 hours remaining, 205.429688 MB of memory in use. ENERGY: 1759800 717.1927 2059.4216 1956.9873 111.7480 -206222.0401 17836.4630 0.0000 0.0000 34329.0871 -149211.1405 299.8045 -183540.2276 -149108.5906 298.8778 -11.1011 22.9792 557476.3782 0.8834 0.7259 PRESSURE: 1760000 -211.629 47.7696 103.651 47.7695 59.0462 24.322 103.652 24.3236 -39.8828 GPRESSURE: 1760000 -152.604 44.3838 113.296 50.8912 70.969 97.4776 120.565 61.0274 -20.4767 PRESSAVG: 1760000 -28.1935 36.6869 49.532 36.6868 -4.13221 49.5451 49.532 49.5452 25.4359 GPRESSAVG: 1760000 -27.8502 34.9024 48.9787 35.774 -4.22549 47.1715 49.3299 51.7385 24.9452 TIMING: 1760000 CPU: 5236.58, 0.00294444/step Wall: 5236.58, 0.00294444/step, 2.65 hours remaining, 205.429688 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: 1760000 772.6663 2094.8105 1930.8927 107.4231 -206284.9649 17909.7489 0.0000 0.0000 34217.2812 -149252.1421 298.8280 -183469.4233 -149159.8480 298.5707 -64.1551 -34.0371 559348.6424 -2.2966 -2.3768 PRESSURE: 1760200 -230.96 3.98087 -34.5728 3.97969 91.6293 48.3083 -34.5742 48.307 -137.242 GPRESSURE: 1760200 -161.218 -50.5142 4.10242 97.4429 94.6032 68.8708 -60.8349 74.4194 -117.783 PRESSAVG: 1760200 19.2415 47.8296 27.5058 47.8297 -7.15781 4.18287 27.5059 4.18281 -44.1924 GPRESSAVG: 1760200 18.2675 49.203 29.7785 48.3441 -6.93157 6.45513 24.1867 3.01509 -43.3407 TIMING: 1760200 CPU: 5237.17, 0.00295332/step Wall: 5237.17, 0.00295332/step, 2.65783 hours remaining, 205.429688 MB of memory in use. ENERGY: 1760200 775.4252 2087.4116 1937.4804 115.0237 -206269.1454 17898.5223 0.0000 0.0000 34211.0464 -149244.2357 298.7736 -183455.2821 -149143.6404 299.3938 -92.1908 -61.4659 558770.3347 -10.7029 -10.6683 LDB: ============= START OF LOAD BALANCING ============== 5240.6 LDB: ============== END OF LOAD BALANCING =============== 5240.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5240.6 LDB: ============= START OF LOAD BALANCING ============== 5240.9 LDB: Largest compute 4821 load 0.022959 is 19.4% of average load 0.118078 LDB: Average compute 0.001718 is 1.5% of average load 0.118078 LDB: TIME 5240.9 LOAD: AVG 0.118078 MAX 0.200901 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 5240.9 LOAD: AVG 0.118078 MAX 0.200901 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 5240.9 LOAD: AVG 0.118078 MAX 0.200901 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5240.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5240.91 PRESSURE: 1760400 -90.1083 -110.031 -304.516 -110.032 50.5204 215.998 -304.516 216 -60.9148 GPRESSURE: 1760400 -27.5702 5.98593 -273.98 -113.404 62.4179 204.82 -289.653 246.526 -34.7852 PRESSAVG: 1760400 -48.761 22.328 -35.0801 22.3279 22.3829 25.8467 -35.0801 25.8466 -6.70021 GPRESSAVG: 1760400 -48.1146 22.7473 -38.6108 24.1455 21.4381 25.2104 -30.6536 26.0652 -7.13851 TIMING: 1760400 CPU: 5237.78, 0.00302439/step Wall: 5237.78, 0.00302439/step, 2.72161 hours remaining, 206.453125 MB of memory in use. ENERGY: 1760400 746.0903 2109.9231 1935.8794 102.9533 -206539.3648 18013.5669 0.0000 0.0000 34491.9253 -149139.0266 301.2266 -183630.9519 -149034.4109 300.0232 -33.5009 0.0208 558789.8560 -11.0261 -11.2717 PRESSURE: 1760600 222.072 -23.5737 -50.8134 -23.5745 1.87774 63.807 -50.8144 63.8064 -110.048 GPRESSURE: 1760600 172.545 -76.3889 28.0305 -103.579 111.358 -8.89516 -6.64693 67.1694 -73.8904 PRESSAVG: 1760600 -28.388 -20.852 -54.1471 -20.8521 -13.8178 17.5253 -54.1471 17.5254 35.2332 GPRESSAVG: 1760600 -29.0262 -23.0503 -50.7301 -20.8601 -13.7566 16.857 -58.5365 17.7556 35.4529 TIMING: 1760600 CPU: 5238.38, 0.00298404/step Wall: 5238.38, 0.00298404/step, 2.68514 hours remaining, 206.656250 MB of memory in use. ENERGY: 1760600 734.8489 2093.0127 1944.3486 113.6515 -206488.6106 17933.2764 0.0000 0.0000 34499.7833 -149169.6891 301.2952 -183669.4724 -149073.1206 299.5683 37.9674 70.0042 557454.3300 -2.3242 -2.4433 PRESSURE: 1760800 -5.53569 -117.401 0.573072 -117.402 5.05433 -77.3138 0.573881 -77.3136 101.004 GPRESSURE: 1760800 -5.44927 -49.0564 -89.8383 -24.1711 79.0695 -121.464 -0.128032 -28.7384 128.124 PRESSAVG: 1760800 -44.2418 -27.1844 16.9552 -27.1844 48.6219 -29.1589 16.9552 -29.1588 -13.8757 GPRESSAVG: 1760800 -44.1538 -24.5355 13.9814 -27.985 48.9047 -29.753 18.5365 -27.5166 -15.0681 TIMING: 1760800 CPU: 5238.97, 0.00299532/step Wall: 5238.97, 0.00299532/step, 2.69512 hours remaining, 206.656250 MB of memory in use. ENERGY: 1760800 758.4204 2120.4013 1979.2993 110.1978 -206505.6416 17990.7260 0.0000 0.0000 34241.3091 -149305.2878 299.0379 -183546.5969 -149207.6988 298.2407 33.5076 67.2480 555817.2953 -3.1652 -3.4391 PRESSURE: 1761000 4.55687 70.4729 132.863 70.4718 -25.2993 92.5051 132.863 92.5047 -21.4326 GPRESSURE: 1761000 34.1464 80.3763 212.671 30.1504 -16.291 76.0693 117.607 132.857 43.2429 PRESSAVG: 1761000 -68.52 12.0282 31.3954 12.0283 62.8074 27.4069 31.3954 27.4069 8.88626 GPRESSAVG: 1761000 -66.9095 9.39818 33.9976 13.5165 60.5431 29.662 31.649 25.2636 9.97991 TIMING: 1761000 CPU: 5239.57, 0.00298368/step Wall: 5239.57, 0.00298368/step, 2.68448 hours remaining, 206.656250 MB of memory in use. ENERGY: 1761000 743.1078 2076.3852 1942.5447 128.3698 -206511.3287 17920.8875 0.0000 0.0000 34244.1085 -149455.9253 299.0623 -183700.0337 -149359.1882 298.5260 -14.0584 20.3661 557474.1029 1.0579 1.2045 PRESSURE: 1761200 13.1452 -68.2852 -127.848 -68.2832 133.509 -165.496 -127.847 -165.496 143.356 GPRESSURE: 1761200 97.4581 -120.77 -143.394 -49.0346 103.435 -156.222 -30.268 -86.0413 177.52 PRESSAVG: 1761200 -9.7623 -45.9287 -25.8257 -45.9287 13.7467 39.6954 -25.8256 39.6954 -23.1973 GPRESSAVG: 1761200 -11.2827 -46.264 -27.707 -45.5691 16.0683 38.6265 -25.5703 39.066 -24.0993 TIMING: 1761200 CPU: 5240.17, 0.00297971/step Wall: 5240.17, 0.00297971/step, 2.68075 hours remaining, 206.656250 MB of memory in use. ENERGY: 1761200 730.5763 2146.8430 1969.7215 119.5819 -206500.3099 17935.4728 0.0000 0.0000 34309.0175 -149289.0970 299.6292 -183598.1145 -149194.2865 299.1653 96.6703 126.1377 557454.0078 -6.4043 -6.4379 PRESSURE: 1761400 -69.0203 -114.132 169.226 -114.132 -76.1376 101.949 169.227 101.949 -650.071 GPRESSURE: 1761400 4.41668 -16.6902 182.125 -34.9749 -76.2991 145.839 152.513 144.788 -614.461 PRESSAVG: 1761400 78.5838 -19.9511 1.46888 -19.951 26.3054 26.9279 1.46891 26.9278 -104.294 GPRESSAVG: 1761400 78.7194 -18.5358 3.56396 -21.6058 26.4317 26.6867 0.570155 26.7964 -104.96 TIMING: 1761400 CPU: 5240.76, 0.00298129/step Wall: 5240.76, 0.00298129/step, 2.682 hours remaining, 206.656250 MB of memory in use. ENERGY: 1761400 781.4819 2127.3674 1954.2541 111.5712 -206149.3556 17577.9636 0.0000 0.0000 34257.2366 -149339.4807 299.1770 -183596.7173 -149243.1073 299.2945 -265.0764 -228.7812 557393.5496 0.1983 0.0637 PRESSURE: 1761600 239.799 33.6013 -106.435 33.6011 -127.231 36.2401 -106.435 36.2399 55.2918 GPRESSURE: 1761600 276.245 62.0551 -107.726 -10.2495 -151.371 21.8124 -47.8498 44.6213 144.677 PRESSAVG: 1761600 47.8699 -63.9371 -0.846947 -63.937 54.9124 91.1573 -0.84696 91.1572 -45.5912 GPRESSAVG: 1761600 48.1719 -64.3097 -2.51794 -63.6232 54.3923 91.0871 0.0318261 92.6336 -45.1542 TIMING: 1761600 CPU: 5241.36, 0.00299231/step Wall: 5241.36, 0.00299231/step, 2.69175 hours remaining, 206.656250 MB of memory in use. ENERGY: 1761600 763.0586 2075.8919 1943.0381 125.5825 -206162.6952 17830.9192 0.0000 0.0000 34013.8963 -149410.3084 297.0518 -183424.2048 -149304.6096 298.9215 55.9531 89.8505 555847.2000 19.0637 19.1367 PRESSURE: 1761800 -202.334 -132.631 -91.915 -132.631 0.935234 96.0921 -91.9142 96.0912 80.8025 GPRESSURE: 1761800 -152.195 -185.189 -56.8375 -133.116 26.3649 71.3407 -68.456 78.8861 96.5792 PRESSAVG: 1761800 26.2686 -9.99368 -13.5304 -9.99365 -12.3698 3.62559 -13.5304 3.62558 -1.06201 GPRESSAVG: 1761800 25.1742 -11.3931 -11.3655 -10.8502 -11.5304 4.36607 -13.7283 3.51779 -0.5903 TIMING: 1761800 CPU: 5241.96, 0.00298978/step Wall: 5241.96, 0.00298978/step, 2.68931 hours remaining, 206.656250 MB of memory in use. ENERGY: 1761800 745.3079 2060.4612 1937.5572 131.5304 -206285.0287 17723.0360 0.0000 0.0000 34187.0537 -149500.0824 298.5640 -183687.1361 -149408.6356 298.6855 -40.1989 -9.7502 557448.1814 4.2789 4.3512 PRESSURE: 1762000 218.971 74.0047 -97.2937 74.0051 2.68002 80.853 -97.2936 80.853 65.204 GPRESSURE: 1762000 229.482 20.1614 -140.319 7.85819 3.90578 135.458 -106.04 33.6454 162.012 PRESSAVG: 1762000 -19.6612 32.235 8.7326 32.2351 -6.38431 110.863 8.73268 110.863 2.49315 GPRESSAVG: 1762000 -19.5255 32.6443 8.35921 34.8281 -6.77579 109.944 7.86829 109.466 2.67753 TIMING: 1762000 CPU: 5242.56, 0.00298821/step Wall: 5242.56, 0.00298821/step, 2.68773 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: 1762000 722.0887 2089.7495 1959.4297 108.2572 -206639.7196 17901.3926 0.0000 0.0000 34305.6083 -149553.1936 299.5994 -183858.8019 -149458.2116 299.0230 95.6184 131.8001 556676.2635 -7.8508 -7.8746 PRESSURE: 1762200 -322.543 -87.3409 -35.3742 -87.341 -135.576 -182.847 -35.3742 -182.847 -354.293 GPRESSURE: 1762200 -276.629 -139.04 46.0211 -7.84107 -150.883 -149.347 -85.1533 -136.753 -280.434 PRESSAVG: 1762200 8.35967 2.01031 17.2677 2.01033 -8.0859 33.1316 17.2678 33.1315 -8.26714 GPRESSAVG: 1762200 8.91666 3.59175 17.128 0.0738523 -8.56355 35.2862 18.432 34.4231 -8.55593 TIMING: 1762200 CPU: 5243.16, 0.00299089/step Wall: 5243.16, 0.00299089/step, 2.68997 hours remaining, 206.656250 MB of memory in use. ENERGY: 1762200 752.0825 2101.6385 1959.4664 125.2577 -206066.4278 17552.5304 0.0000 0.0000 34029.8145 -149545.6377 297.1908 -183575.4522 -149455.5325 298.7427 -270.8042 -235.9820 557894.8387 -2.6645 -2.7343 PRESSURE: 1762400 171.33 21.4012 -261.383 21.4017 -145.791 -68.319 -261.383 -68.3191 -28.2342 GPRESSURE: 1762400 156.356 -24.9425 -276.855 -21.9318 -48.3885 -7.27786 -226.825 -40.9663 -9.95536 PRESSAVG: 1762400 63.7377 -70.7442 -28.8721 -70.7442 9.45815 22.4894 -28.872 22.4893 -38.5003 GPRESSAVG: 1762400 63.0713 -69.5237 -29.7432 -73.3606 10.5109 21.6527 -27.9095 23.2354 -38.6212 TIMING: 1762400 CPU: 5243.75, 0.0029633/step Wall: 5243.75, 0.0029633/step, 2.665 hours remaining, 206.656250 MB of memory in use. ENERGY: 1762400 789.3890 2070.3489 1946.8847 111.2161 -206668.7684 18009.7603 0.0000 0.0000 34098.3960 -149642.7735 297.7898 -183741.1695 -149544.6804 298.1769 -0.8982 32.6708 556293.2245 11.5652 11.6536 PRESSURE: 1762600 -346.754 -41.9927 -24.1554 -41.9931 -183.039 -38.6538 -24.1549 -38.6544 -347.899 GPRESSURE: 1762600 -285.844 -41.8492 59.3718 -8.22143 -209.716 -54.4424 -75.686 -71.2011 -283.943 PRESSAVG: 1762600 40.6178 -53.8507 -3.95158 -53.8506 -40.9887 39.905 -3.9516 39.9049 -2.31212 GPRESSAVG: 1762600 41.6817 -53.754 -4.74204 -51.2619 -40.4031 38.9158 -3.0594 40.6533 -3.81005 TIMING: 1762600 CPU: 5244.34, 0.00297245/step Wall: 5244.34, 0.00297245/step, 2.67306 hours remaining, 206.656250 MB of memory in use. ENERGY: 1762600 768.5051 2079.6978 1939.8822 114.3030 -206077.3692 17444.2928 0.0000 0.0000 33937.9062 -149792.7822 296.3882 -183730.6884 -149696.1911 297.8769 -292.5640 -259.8343 556785.3935 -0.8944 -0.8438 PRESSURE: 1762800 -141.55 17.1907 27.5201 17.1907 -233.902 -153.449 27.5211 -153.447 -228.475 GPRESSURE: 1762800 -125.094 21.3718 68.573 -31.7147 -209.855 -166.673 -54.8036 -155.791 -187.91 PRESSAVG: 1762800 40.7192 -3.4052 -4.34347 -3.40521 -64.1634 59.9499 -4.34339 59.95 22.1236 GPRESSAVG: 1762800 41.0786 -4.44084 -2.55627 -4.41626 -65.524 59.6058 -6.25364 56.658 23.2708 TIMING: 1762800 CPU: 5244.94, 0.00296868/step Wall: 5244.94, 0.00296868/step, 2.66951 hours remaining, 206.656250 MB of memory in use. ENERGY: 1762800 775.0229 2026.9623 1914.5547 105.3944 -206070.0172 17588.8119 0.0000 0.0000 33935.6076 -149723.6633 296.3681 -183659.2709 -149624.2398 297.7882 -201.3091 -174.2863 557023.4936 -0.4402 -0.3915 PRESSURE: 1763000 -137.744 -50.4458 17.3965 -50.4452 -165.972 87.8195 17.3972 87.8208 -97.168 GPRESSURE: 1763000 -113.606 3.86242 17.9315 -118.319 -84.133 141.904 32.0821 142.977 -105.337 PRESSAVG: 1763000 -7.07108 2.45776 24.1724 2.45757 5.68971 55.6866 24.1723 55.6865 -2.64707 GPRESSAVG: 1763000 -6.0123 2.99896 23.3817 3.79934 5.83493 58.0667 24.8175 57.3867 -3.63805 TIMING: 1763000 CPU: 5245.53, 0.00297913/step Wall: 5245.53, 0.00297913/step, 2.67873 hours remaining, 206.656250 MB of memory in use. ENERGY: 1763000 772.3979 2128.1329 1980.0008 111.0435 -206299.6595 17660.2121 0.0000 0.0000 34253.7896 -149394.0827 299.1469 -183647.8723 -149305.1598 298.2634 -133.6280 -101.0253 555395.6575 -1.3428 -1.2718 PRESSURE: 1763200 -126.941 -26.5034 -43.2274 -26.5052 -237.298 124.833 -43.2265 124.834 -63.352 GPRESSURE: 1763200 -47.8038 -33.7857 -106.977 -46.8214 -185.962 194.788 -12.7565 111.422 -111.797 PRESSAVG: 1763200 14.6515 3.30805 -3.74726 3.30804 -9.04118 36.5025 -3.74733 36.5026 19.0815 GPRESSAVG: 1763200 13.4535 2.91075 -2.56774 2.62574 -9.87343 36.7196 -4.48302 35.8169 21.2317 TIMING: 1763200 CPU: 5246.13, 0.00299676/step Wall: 5246.13, 0.00299676/step, 2.69442 hours remaining, 206.656250 MB of memory in use. ENERGY: 1763200 724.5562 2067.1566 1959.6712 116.1332 -206019.2738 17514.4143 0.0000 0.0000 34150.1048 -149487.2375 298.2414 -183637.3423 -149392.9680 298.5268 -142.5306 -115.1876 556953.9474 8.2306 8.2706 PRESSURE: 1763400 -101.913 82.5829 -38.3519 82.5825 -44.1314 32.1337 -38.3508 32.1315 -179.359 GPRESSURE: 1763400 -136.949 61.9543 -89.1398 110.957 -13.2219 23.7992 -48.5968 38.0063 -80.1393 PRESSAVG: 1763400 32.3325 16.2052 -25.9289 16.2052 -15.3179 -1.88265 -25.929 -1.88265 -20.547 GPRESSAVG: 1763400 33.3871 18.4873 -28.1059 16.2543 -15.0746 -3.49566 -25.0564 -2.22743 -22.0462 TIMING: 1763400 CPU: 5246.74, 0.00302399/step Wall: 5246.74, 0.00302399/step, 2.71873 hours remaining, 206.656250 MB of memory in use. ENERGY: 1763400 768.8579 2088.5225 1970.7048 117.3271 -206236.9819 17696.3787 0.0000 0.0000 34345.8785 -149249.3123 299.9511 -183595.1909 -149153.5825 298.7650 -108.4677 -76.7700 558426.8480 -1.1775 -1.2446 PRESSURE: 1763600 116.775 46.2772 44.1301 46.2769 -101.636 -82.5414 44.1317 -82.5428 -311.196 GPRESSURE: 1763600 136.519 22.2446 60.5676 69.361 -70.9887 -103.632 135.558 -83.3544 -279.307 PRESSAVG: 1763600 -27.2818 -0.715648 -10.1445 -0.715672 0.852946 -10.9607 -10.1444 -10.9606 -30.2352 GPRESSAVG: 1763600 -28.9136 -3.90884 -8.10615 2.09463 1.70218 -11.4411 -10.1865 -9.78101 -29.8716 TIMING: 1763600 CPU: 5247.33, 0.00298736/step Wall: 5247.33, 0.00298736/step, 2.68563 hours remaining, 206.656250 MB of memory in use. ENERGY: 1763600 722.5881 2105.9550 1948.5375 113.3996 -206451.0653 17819.8492 0.0000 0.0000 34413.3899 -149327.3459 300.5407 -183740.7358 -149223.1411 298.8187 -98.6856 -71.2592 559754.9510 -18.8880 -19.0277 PRESSURE: 1763800 34.7262 -20.6784 63.5611 -20.6768 -181.682 74.0234 63.5609 74.0225 -311.096 GPRESSURE: 1763800 22.3626 -14.801 63.7812 -38.514 -139.47 68.5044 41.0896 -1.2892 -252.716 PRESSAVG: 1763800 73.6459 2.15762 -62.9453 2.15771 2.76347 -33.2228 -62.9453 -33.2228 -53.9351 GPRESSAVG: 1763800 73.9574 2.50187 -63.9208 0.288522 1.72508 -32.5181 -62.4654 -33.4429 -53.5801 TIMING: 1763800 CPU: 5247.93, 0.0030005/step Wall: 5247.93, 0.0030005/step, 2.69729 hours remaining, 206.656250 MB of memory in use. ENERGY: 1763800 735.6251 2115.3774 1940.1986 109.9216 -206210.6180 17819.0186 0.0000 0.0000 34278.0972 -149212.3794 299.3591 -183490.4766 -149120.1002 299.8898 -152.6840 -123.2746 559680.6874 7.4914 7.3674 PRESSURE: 1764000 246.057 54.6028 -101.021 54.6023 57.9936 -180.119 -101.019 -180.119 -49.7999 GPRESSURE: 1764000 260.851 73.0308 -100.73 73.4684 126.429 -274.074 -111.035 -166.828 -45.2792 PRESSAVG: 1764000 -12.1367 -20.0413 -7.8269 -20.0413 -11.7837 -53.3337 -7.82686 -53.3336 -3.79159 GPRESSAVG: 1764000 -12.2013 -19.5564 -7.4587 -18.0461 -11.3361 -53.8014 -7.97992 -51.8586 -4.78096 TIMING: 1764000 CPU: 5248.54, 0.00300517/step Wall: 5248.54, 0.00300517/step, 2.70131 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: 1764000 774.3472 2104.5897 1950.7659 117.9341 -206358.0338 17987.2330 0.0000 0.0000 34347.2291 -149075.9348 299.9629 -183423.1639 -148982.0673 299.5874 84.7502 114.0002 558849.4919 -9.2373 -9.4394 PRESSURE: 1764200 232.659 -115.807 27.8192 -115.807 227.503 -207.342 27.8188 -207.342 477.541 GPRESSURE: 1764200 242.045 -60.2226 1.21189 -165.613 271.21 -201.586 71.0941 -208.178 530.879 PRESSAVG: 1764200 16.4409 -11.7826 -62.8181 -11.7826 -8.26607 -31.4444 -62.8181 -31.4443 -24.2416 GPRESSAVG: 1764200 17.2959 -8.92092 -62.1379 -15.4064 -8.40728 -32.7341 -63.4152 -31.747 -24.5682 TIMING: 1764200 CPU: 5249.13, 0.00298455/step Wall: 5249.13, 0.00298456/step, 2.68262 hours remaining, 206.656250 MB of memory in use. ENERGY: 1764200 760.2443 2077.3407 1935.7555 126.3598 -206706.1331 18383.2399 0.0000 0.0000 34352.1803 -149071.0127 300.0061 -183423.1929 -148974.4372 299.9755 312.5679 348.0445 558008.1340 -5.3556 -5.2265 LDB: ============= START OF LOAD BALANCING ============== 5252.56 LDB: ============== END OF LOAD BALANCING =============== 5252.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5252.56 LDB: ============= START OF LOAD BALANCING ============== 5252.86 LDB: Largest compute 4848 load 0.022392 is 19.0% of average load 0.118068 LDB: Average compute 0.001724 is 1.5% of average load 0.118068 LDB: TIME 5252.87 LOAD: AVG 0.118068 MAX 0.200586 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 5252.87 LOAD: AVG 0.118068 MAX 0.200586 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: TIME 5252.87 LOAD: AVG 0.118068 MAX 0.200586 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5252.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5252.87 PRESSURE: 1764400 -59.9303 -133.663 -122.406 -133.664 16.9607 113.815 -122.406 113.816 -271.473 GPRESSURE: 1764400 -27.7374 -138.17 -234.493 -94.7903 43.0659 164.495 -60.3564 197.024 -245.798 PRESSAVG: 1764400 3.75352 -33.0865 19.36 -33.0867 37.882 23.4864 19.36 23.4864 -18.0432 GPRESSAVG: 1764400 2.46111 -37.2343 18.0363 -32.3315 38.6744 24.2093 20.4921 25.0174 -17.6428 TIMING: 1764400 CPU: 5249.74, 0.00305029/step Wall: 5249.74, 0.00305029/step, 2.74153 hours remaining, 206.128906 MB of memory in use. ENERGY: 1764400 738.4514 2083.8975 1940.5501 109.6707 -206191.7637 17813.5238 0.0000 0.0000 34231.6943 -149273.9757 298.9539 -183505.6700 -149173.9120 298.4793 -104.8143 -76.8232 558820.5770 7.8641 7.8309 PRESSURE: 1764600 -287.824 -98.9213 73.2879 -98.9213 244.129 -25.859 73.2876 -25.8591 95.6697 GPRESSURE: 1764600 -220.165 -216.153 149.218 -69.7219 197.126 7.4529 82.0311 -69.3238 180.81 PRESSAVG: 1764600 -56.8705 -20.1254 -5.56662 -20.1254 112.4 20.6083 -5.56666 20.6083 -72.1699 GPRESSAVG: 1764600 -56.5489 -17.8981 -7.41854 -19.3106 112.52 20.6129 -3.65818 18.733 -72.4959 TIMING: 1764600 CPU: 5250.34, 0.0029909/step Wall: 5250.34, 0.0029909/step, 2.68799 hours remaining, 206.128906 MB of memory in use. ENERGY: 1764600 723.5814 2077.1093 1941.5595 118.4688 -206202.7599 17953.4333 0.0000 0.0000 34187.2535 -149201.3540 298.5658 -183388.6076 -149103.4726 298.8895 17.3248 52.5905 558320.0032 -5.5469 -5.5081 PRESSURE: 1764800 -231.632 71.096 -167.646 71.0967 -26.6958 -86.7851 -167.647 -86.7869 -58.7968 GPRESSURE: 1764800 -167.932 63.8589 -90.5007 78.4678 -16.2628 -44.3676 -229.534 -132.669 -38.6643 PRESSAVG: 1764800 -42.6766 -2.59206 -6.76549 -2.5921 54.9246 17.608 -6.76559 17.6081 -34.0268 GPRESSAVG: 1764800 -41.0933 -2.21035 -4.99219 -2.14995 53.4164 20.0971 -10.3118 16.1924 -34.1023 TIMING: 1764800 CPU: 5250.93, 0.00294867/step Wall: 5250.93, 0.00294867/step, 2.64987 hours remaining, 206.128906 MB of memory in use. ENERGY: 1764800 797.3950 2115.8553 1933.8108 109.4841 -206037.4249 17598.7968 0.0000 0.0000 34359.9973 -149122.0856 300.0744 -183482.0829 -149021.7457 298.8783 -105.7082 -74.2862 557776.2331 -7.2596 -7.2597 PRESSURE: 1765000 -104.618 68.4039 -112.766 68.4043 -155.087 33.6713 -112.766 33.6714 32.0322 GPRESSURE: 1765000 -62.0521 106.041 -133.445 -14.0172 -130.642 -63.8557 -119.996 119.859 57.6365 PRESSAVG: 1765000 22.7712 27.9475 -27.6489 27.9475 -28.9437 0.180795 -27.6489 0.180803 31.9399 GPRESSAVG: 1765000 21.3452 25.6994 -26.8465 29.2682 -27.3586 -1.07522 -26.7436 0.0850879 32.2031 TIMING: 1765000 CPU: 5251.52, 0.00296117/step Wall: 5251.52, 0.00296117/step, 2.66094 hours remaining, 206.128906 MB of memory in use. ENERGY: 1765000 716.6386 2112.0343 1966.8654 123.3424 -206051.2987 17739.5681 0.0000 0.0000 34117.6014 -149275.2484 297.9575 -183392.8498 -149181.4250 299.4600 -75.8909 -45.0192 558359.8964 8.5891 8.7299 PRESSURE: 1765200 16.9273 172.83 -183.768 172.83 -268.76 51.468 -183.766 51.4682 108.394 GPRESSURE: 1765200 53.7059 118.288 -101.963 247.899 -216.255 69.3123 -193.122 -60.5286 135.776 PRESSAVG: 1765200 -12.9902 20.8658 -19.8185 20.8657 -49.4449 -4.40613 -19.8185 -4.40607 58.6168 GPRESSAVG: 1765200 -13.587 22.3732 -19.6315 18.4644 -49.3903 -6.72794 -20.7224 -3.31099 58.9486 TIMING: 1765200 CPU: 5252.12, 0.00296926/step Wall: 5252.12, 0.00296926/step, 2.66805 hours remaining, 206.128906 MB of memory in use. ENERGY: 1765200 719.1026 2092.5476 1953.9713 112.0406 -206060.8735 17712.1226 0.0000 0.0000 34241.8395 -149229.2494 299.0425 -183471.0890 -149129.2315 299.5254 -47.8128 -8.9244 556979.6665 -1.2728 -1.3429 PRESSURE: 1765400 249.132 68.5058 136.03 68.5044 -28.0134 -106.524 136.03 -106.523 35.329 GPRESSURE: 1765400 258.053 64.7283 100.486 52.243 26.9024 -57.2509 198.84 -62.2035 72.8448 PRESSAVG: 1765400 -63.19 30.5197 11.0179 30.5198 47.3179 21.6541 11.018 21.6541 14.3537 GPRESSAVG: 1765400 -63.3978 30.4872 8.70021 30.9488 47.033 23.7508 12.956 21.6022 14.719 TIMING: 1765400 CPU: 5252.71, 0.00296801/step Wall: 5252.71, 0.00296801/step, 2.66675 hours remaining, 206.128906 MB of memory in use. ENERGY: 1765400 761.5977 2129.1314 1957.4161 104.3628 -206224.9232 17993.0452 0.0000 0.0000 34277.8497 -149001.5203 299.3570 -183279.3700 -148911.0851 299.5908 85.4826 119.2668 556811.3819 -0.5061 -0.5486 PRESSURE: 1765600 10.3458 -10.4926 50.4868 -10.4924 -177.305 60.4412 50.486 60.4422 -121.28 GPRESSURE: 1765600 0.667297 38.9705 -19.0529 -27.4564 -131.545 75.6529 88.1853 72.8451 -65.5488 PRESSAVG: 1765600 -38.6029 8.70303 4.16959 8.70309 10.8457 -14.1559 4.16958 -14.1559 -25.1757 GPRESSAVG: 1765600 -38.1542 9.49694 6.35482 8.76447 11.6023 -13.1666 2.82283 -14.0445 -26.6441 TIMING: 1765600 CPU: 5253.3, 0.00295034/step Wall: 5253.3, 0.00295034/step, 2.65072 hours remaining, 206.128906 MB of memory in use. ENERGY: 1765600 773.4971 2186.8941 1960.5567 111.0316 -206315.2622 17908.0949 0.0000 0.0000 34303.8308 -149071.3571 299.5839 -183375.1878 -148974.2716 299.3484 -96.0795 -65.4756 558148.6140 -17.6443 -17.7320 PRESSURE: 1765800 237.849 79.4652 105.544 79.4657 -93.0201 109.241 105.543 109.242 -143.919 GPRESSURE: 1765800 272.653 136.436 121.799 86.3872 -45.2486 46.2701 10.4004 73.5957 -138.181 PRESSAVG: 1765800 1.84299 5.81297 -7.6628 5.81304 9.61107 36.4334 -7.66279 36.4334 -30.9459 GPRESSAVG: 1765800 3.23451 4.74736 -5.21354 5.25336 9.31091 34.8101 -7.54374 36.378 -32.2568 TIMING: 1765800 CPU: 5253.89, 0.00294989/step Wall: 5253.89, 0.00294989/step, 2.65015 hours remaining, 206.128906 MB of memory in use. ENERGY: 1765800 780.4609 2077.3724 1965.6681 117.7587 -206128.5082 17814.0983 0.0000 0.0000 34303.3907 -149069.7589 299.5800 -183373.1496 -148974.0043 300.0768 0.3034 29.7412 558229.2989 -6.4973 -6.5705 PRESSURE: 1766000 -289.775 -98.9421 51.8896 -98.9433 -154.439 98.7384 51.8899 98.7378 -98.3817 GPRESSURE: 1766000 -236.903 -97.4683 111.612 -92.9868 -109.254 51.4742 -31.0305 153.338 -107.678 PRESSAVG: 1766000 7.29548 -29.0104 -43.9589 -29.0102 33.3529 14.7674 -43.9588 14.7674 -44.9663 GPRESSAVG: 1766000 6.91106 -27.8899 -44.8388 -28.0126 32.55 14.7434 -43.6185 15.9496 -44.3661 TIMING: 1766000 CPU: 5254.48, 0.00295727/step Wall: 5254.48, 0.00295727/step, 2.65661 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: 1766000 774.0406 2168.0608 1952.9221 116.8946 -205695.4274 17499.5997 0.0000 0.0000 34252.5765 -148931.3331 299.1363 -183183.9095 -148837.2436 300.4262 -180.8651 -151.2781 558469.2794 -1.4393 -1.6350 PRESSURE: 1766200 -37.6814 -70.589 -163.221 -70.5882 81.8339 -121.577 -163.221 -121.577 -3.37122 GPRESSURE: 1766200 15.1276 6.4633 -138.512 -77.6436 102.772 -117.599 -162.643 -102.87 18.6545 PRESSAVG: 1766200 -20.7895 -21.2866 22.4179 -21.2864 7.37083 8.52682 22.418 8.52685 28.1341 GPRESSAVG: 1766200 -22.9601 -21.4814 21.8924 -21.7809 8.99827 9.24962 20.5912 7.17133 28.544 TIMING: 1766200 CPU: 5255.07, 0.0029381/step Wall: 5255.07, 0.0029381/step, 2.63923 hours remaining, 206.128906 MB of memory in use. ENERGY: 1766200 747.2146 2052.7416 1962.0077 101.7062 -205707.7547 17714.2153 0.0000 0.0000 34054.9301 -149074.9393 297.4102 -183129.8694 -148977.2887 300.1242 13.5938 45.5180 556641.0364 4.9052 4.8607 PRESSURE: 1766400 -143.397 128.996 74.655 128.996 -248.1 -50.3759 74.6547 -50.3767 -151.579 GPRESSURE: 1766400 -89.0874 142.912 75.2114 62.1455 -221.532 -48.467 -9.47193 0.756889 -136.325 PRESSAVG: 1766400 -11.1389 13.4444 -13.6336 13.4444 55.8351 26.6897 -13.6335 26.6897 -39.1015 GPRESSAVG: 1766400 -9.48853 11.6115 -15.3022 12.6307 54.5483 28.9167 -12.8632 25.5336 -38.9586 TIMING: 1766400 CPU: 5255.66, 0.00294892/step Wall: 5255.66, 0.00294892/step, 2.64879 hours remaining, 206.128906 MB of memory in use. ENERGY: 1766400 738.3936 2084.6018 1939.6451 116.5972 -206150.2834 17606.2082 0.0000 0.0000 34624.0040 -149040.8336 302.3800 -183664.8376 -148940.7682 299.9301 -181.0253 -148.9815 557334.9859 1.8649 2.0338 PRESSURE: 1766600 -383.809 -59.8375 -50.8738 -59.8389 18.2263 33.9817 -50.8736 33.9829 -295.226 GPRESSURE: 1766600 -366.299 -129.8 -57.4618 -51.3615 25.4126 56.4955 -12.7706 61.2621 -226.632 PRESSAVG: 1766600 32.5398 47.7 67.686 47.7 61.1423 27.5781 67.686 27.5779 -88.7881 GPRESSAVG: 1766600 30.8848 49.0849 68.1468 48.7419 62.7063 24.6229 69.2806 27.6414 -88.5998 TIMING: 1766600 CPU: 5256.25, 0.00294111/step Wall: 5256.25, 0.00294111/step, 2.64161 hours remaining, 206.128906 MB of memory in use. ENERGY: 1766600 729.8555 2130.2596 1949.7127 109.2357 -205959.3295 17441.8885 0.0000 0.0000 34394.5408 -149203.8368 300.3761 -183598.3775 -149105.6242 300.3954 -220.2696 -189.1728 558003.8391 1.6314 1.6638 PRESSURE: 1766800 -429.24 126.955 -92.9679 126.954 -68.3454 87.1466 -92.9672 87.1469 -245.633 GPRESSURE: 1766800 -334.763 108.52 -42.4049 136.63 -62.0161 52.3733 -100.327 177.698 -250.776 PRESSAVG: 1766800 -101.441 3.26991 57.7867 3.26983 86.6612 10.2043 57.7868 10.2043 10.704 GPRESSAVG: 1766800 -99.4767 4.33856 59.1123 2.72648 84.8912 11.7742 56.8995 11.8693 9.53485 TIMING: 1766800 CPU: 5256.84, 0.00297315/step Wall: 5256.84, 0.00297315/step, 2.67022 hours remaining, 206.128906 MB of memory in use. ENERGY: 1766800 771.8026 2086.3132 1946.9759 127.2858 -206014.9428 17528.8201 0.0000 0.0000 34472.6978 -149081.0474 301.0586 -183553.7452 -148979.7620 299.6986 -247.7394 -215.8517 558009.5413 -1.3586 -1.6836 PRESSURE: 1767000 -152.869 12.9685 -196.946 12.9677 115.558 187.713 -196.946 187.712 -58.885 GPRESSURE: 1767000 -142.893 -6.26115 -270.421 -77.0489 178.185 157.278 -178.668 238.871 -30.0776 PRESSAVG: 1767000 -71.8252 10.9232 -65.2272 10.9231 49.7849 39.9597 -65.2272 39.9597 -4.74509 GPRESSAVG: 1767000 -72.1774 10.7435 -65.5069 9.00432 50.2777 38.4694 -64.8646 38.754 -4.4075 TIMING: 1767000 CPU: 5257.43, 0.00293515/step Wall: 5257.43, 0.00293516/step, 2.63593 hours remaining, 206.128906 MB of memory in use. ENERGY: 1767000 732.9925 2059.3785 1916.0365 120.3187 -205871.0383 17805.7637 0.0000 0.0000 33998.9103 -149237.6381 296.9209 -183236.5484 -149139.7371 298.8537 -32.0654 1.7384 558214.3742 -8.9285 -8.7691 PRESSURE: 1767200 -126.86 -58.306 -99.9461 -58.3059 22.7576 104.759 -99.9466 104.759 149.316 GPRESSURE: 1767200 -68.731 -58.745 -169.6 -34.43 85.9861 58.4704 -82.2631 72.5645 127.878 PRESSAVG: 1767200 -10.4616 14.2794 -58.1242 14.2795 7.46339 40.0813 -58.1242 40.0814 -7.42823 GPRESSAVG: 1767200 -10.9191 12.0665 -58.3565 17.1705 8.83977 41.4726 -58.5276 39.2257 -8.344 TIMING: 1767200 CPU: 5258.02, 0.00295303/step Wall: 5258.02, 0.00295303/step, 2.65182 hours remaining, 206.128906 MB of memory in use. ENERGY: 1767200 746.0217 2067.8829 1946.9976 111.3988 -205838.6772 17644.3891 0.0000 0.0000 34275.8386 -149046.1485 299.3394 -183321.9870 -148946.7473 298.8910 15.0712 48.3775 558426.1604 -3.4755 -3.4744 PRESSURE: 1767400 -80.1225 91.4004 173.51 91.4014 129.762 90.6897 173.51 90.6871 79.4113 GPRESSURE: 1767400 -60.864 56.7605 247.234 39.6302 130.679 121.703 100.527 113.733 156.901 PRESSAVG: 1767400 -75.7936 30.6304 -14.1337 30.6304 65.9115 -4.56254 -14.1338 -4.5626 20.736 GPRESSAVG: 1767400 -76.755 29.6037 -13.6636 28.4033 64.6345 -3.81887 -13.8525 -4.00805 23.0034 TIMING: 1767400 CPU: 5258.61, 0.00294991/step Wall: 5258.61, 0.00294991/step, 2.64885 hours remaining, 206.128906 MB of memory in use. ENERGY: 1767400 763.5302 2079.4352 1972.7650 102.0670 -206074.8210 17786.8581 0.0000 0.0000 34221.0418 -149149.1237 298.8609 -183370.1655 -149054.4909 299.4065 43.0169 75.5720 557916.4563 3.6180 3.6276 PRESSURE: 1767600 91.1199 202.887 7.69524 202.887 -165.039 -97.9674 7.69486 -97.9678 -106.496 GPRESSURE: 1767600 89.035 203.149 -51.3567 192.126 -142.694 -95.1887 70.4772 -7.79515 -26.5733 PRESSAVG: 1767600 23.2111 6.53644 -5.02404 6.53655 28.0339 -47.7823 -5.02404 -47.7823 -9.94 GPRESSAVG: 1767600 25.8295 8.45006 -6.20615 7.25324 26.9855 -49.2435 -1.88561 -46.8578 -11.2476 TIMING: 1767600 CPU: 5259.2, 0.00295687/step Wall: 5259.2, 0.00295687/step, 2.65494 hours remaining, 206.128906 MB of memory in use. ENERGY: 1767600 757.4302 2081.7773 1949.5647 107.1462 -205963.2423 17789.8405 0.0000 0.0000 34216.2111 -149061.2724 298.8187 -183277.4835 -148967.4813 299.1804 -60.1386 -26.7443 559256.6599 13.7683 13.8558 PRESSURE: 1767800 282.863 203.387 -161.712 203.387 -177.123 40.1814 -161.712 40.1803 -23.1814 GPRESSURE: 1767800 333.612 171.388 -145.961 123.422 -146.14 -7.25121 -107.124 76.4544 -8.47008 PRESSAVG: 1767800 131.452 10.1289 -5.18195 10.1289 -35.6713 -8.5454 -5.18198 -8.54546 -97.8059 GPRESSAVG: 1767800 130.313 10.3831 -4.56625 11.462 -35.1292 -8.0349 -8.49506 -10.2792 -97.073 TIMING: 1767800 CPU: 5259.79, 0.00296777/step Wall: 5259.79, 0.00296777/step, 2.66456 hours remaining, 206.128906 MB of memory in use. ENERGY: 1767800 740.3437 2083.7822 1959.5900 118.6983 -205909.1301 17780.5949 0.0000 0.0000 34284.1639 -148941.9571 299.4121 -183226.1210 -148845.7432 299.7690 27.5196 59.6675 558445.9419 -0.6750 -0.6299 PRESSURE: 1768000 15.7846 30.2386 8.80485 30.238 -124.125 -40.9293 8.80524 -40.9298 71.7192 GPRESSURE: 1768000 46.0477 83.6322 -4.75186 16.7846 -77.0025 -36.7858 6.11736 -56.0994 89.8452 PRESSAVG: 1768000 22.4556 -9.56568 6.76533 -9.56564 -58.7137 -14.344 6.76523 -14.3441 13.5128 GPRESSAVG: 1768000 20.7285 -10.5378 7.32387 -10.4876 -58.0442 -14.4643 6.43528 -13.4408 14.4922 TIMING: 1768000 CPU: 5260.38, 0.00293661/step Wall: 5260.38, 0.00293661/step, 2.63642 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: 1768000 750.1420 2068.5029 1962.0278 114.9503 -205858.4441 17637.9297 0.0000 0.0000 34384.9313 -148939.9602 300.2922 -183324.8915 -148851.8828 299.7474 -12.2070 19.6301 557708.1093 -7.5818 -7.6078 PRESSURE: 1768200 -119.154 -132.484 -40.7618 -132.483 -248.433 -38.2789 -40.7629 -38.2788 -337.949 GPRESSURE: 1768200 -115.408 -65.4277 -7.36643 -151.185 -156.276 12.2732 -59.4269 20.1546 -321.913 PRESSAVG: 1768200 22.0152 -17.8692 55.1437 -17.8693 -20.9948 22.8078 55.1437 22.8078 -18.7441 GPRESSAVG: 1768200 23.2234 -17.7552 55.5878 -17.0397 -21.0589 24.3201 57.0749 22.3246 -20.2242 TIMING: 1768200 CPU: 5260.97, 0.00294772/step Wall: 5260.97, 0.00294772/step, 2.64623 hours remaining, 206.128906 MB of memory in use. ENERGY: 1768200 692.8920 2072.6037 1949.2794 119.3094 -205753.9188 17392.5644 0.0000 0.0000 34389.0521 -149138.2177 300.3281 -183527.2698 -149039.4913 299.9837 -235.1788 -197.8659 558591.3257 -5.9079 -6.0199 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 4848 load 0.023063 is 19.5% of average load 0.118025 LDB: Average compute 0.001724 is 1.5% of average load 0.118025 LDB: TIME 5264.7 LOAD: AVG 0.118025 MAX 0.19799 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 5264.7 LOAD: AVG 0.118025 MAX 0.19799 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.391 MB LDB: TIME 5264.7 LOAD: AVG 0.118025 MAX 0.19799 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.391 MB LDB: ============== END OF LOAD BALANCING =============== 5264.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5264.7 PRESSURE: 1768400 -35.6604 -22.2617 59.1238 -22.2628 361.485 -79.3147 59.1243 -79.315 214.246 GPRESSURE: 1768400 1.96166 37.5504 65.249 32.002 387.525 -9.53618 -2.61401 -167.575 254.965 PRESSAVG: 1768400 25.7259 -16.3863 48.5838 -16.3862 -20.1855 -3.78544 48.5838 -3.78548 20.3471 GPRESSAVG: 1768400 27.0708 -15.5368 49.6669 -17.8978 -22.0124 -4.22552 49.172 -6.11472 21.1111 TIMING: 1768400 CPU: 5261.57, 0.0030157/step Wall: 5261.57, 0.0030157/step, 2.7071 hours remaining, 206.187500 MB of memory in use. ENERGY: 1768400 721.1538 2052.8751 1925.7420 111.2662 -206725.2144 18138.4024 0.0000 0.0000 34521.6105 -149254.1644 301.4858 -183775.7749 -149161.5313 299.4220 180.0236 214.8174 556473.4208 8.6291 8.7232 PRESSURE: 1768600 -381.458 73.4482 93.3713 73.4481 -36.3881 -265.579 93.3701 -265.58 -271.356 GPRESSURE: 1768600 -313.783 93.7028 63.6715 84.0227 -31.653 -280.449 26.7751 -214.325 -251.999 PRESSAVG: 1768600 -75.3928 -14.221 60.9938 -14.221 55.9287 -57.4 60.9938 -57.4 -5.55903 GPRESSAVG: 1768600 -75.2906 -14.4785 61.2462 -13.7318 55.6787 -60.0147 60.2886 -54.1907 -6.02169 TIMING: 1768600 CPU: 5262.16, 0.00293601/step Wall: 5262.16, 0.00293601/step, 2.6354 hours remaining, 206.187500 MB of memory in use. ENERGY: 1768600 708.5059 2141.0917 1962.1737 118.0237 -205783.1722 17519.5710 0.0000 0.0000 34145.6565 -149188.1497 298.2025 -183333.8063 -149091.0885 299.7908 -229.7343 -199.1453 558197.3620 -8.3410 -8.5446 PRESSURE: 1768800 -117.15 -77.8856 53.3234 -77.8859 -67.7413 -16.463 53.3232 -16.4639 -291.349 GPRESSURE: 1768800 -131.009 -43.7979 90.6774 -124.448 -29.3544 21.4169 79.7987 -54.9332 -221.772 PRESSAVG: 1768800 -5.6137 1.98293 28.8457 1.98296 38.8084 -42.7247 28.8457 -42.7247 -2.4138 GPRESSAVG: 1768800 -5.32715 1.6421 27.1211 3.75279 38.4074 -40.3973 29.2484 -42.6019 -1.98999 TIMING: 1768800 CPU: 5262.76, 0.00296879/step Wall: 5262.76, 0.00296879/step, 2.66466 hours remaining, 206.187500 MB of memory in use. ENERGY: 1768800 771.7098 2161.7322 1946.7232 109.1340 -206233.7716 17734.9041 0.0000 0.0000 34428.2772 -149081.2911 300.6707 -183509.5684 -148983.7875 300.0357 -158.7469 -127.3783 558777.7846 10.2603 10.3634 PRESSURE: 1769000 -96.6343 120.817 -76.2348 120.817 114.735 -108.796 -76.2349 -108.795 210.221 GPRESSURE: 1769000 -50.1574 262.583 -14.3145 -12.4316 96.6358 -61.7433 -77.5161 -72.787 265.783 PRESSAVG: 1769000 23.0369 3.26775 -36.3553 3.26773 -27.7575 19.7733 -36.3554 19.7733 32.794 GPRESSAVG: 1769000 21.9398 1.45237 -35.9732 3.59459 -26.6046 19.6214 -37.4133 20.0959 32.3885 TIMING: 1769000 CPU: 5263.35, 0.00298251/step Wall: 5263.35, 0.00298251/step, 2.67681 hours remaining, 206.187500 MB of memory in use. ENERGY: 1769000 782.4283 2097.8237 1927.9527 129.1074 -206373.0667 17988.2571 0.0000 0.0000 34449.1574 -148998.3401 300.8531 -183447.4975 -148906.3448 299.7012 76.1071 104.0871 557123.1675 9.3578 9.2412 PRESSURE: 1769200 -161.897 -56.9341 5.71136 -56.9345 -32.0024 44.8085 5.71115 44.8091 -80.46 GPRESSURE: 1769200 -136.609 -16.4108 113.478 -51.1078 3.01533 79.6874 -7.01203 35.4429 -36.0121 PRESSAVG: 1769200 -27.9681 -33.0146 22.4841 -33.0145 -11.6825 -16.4063 22.4841 -16.4062 39.4863 GPRESSAVG: 1769200 -27.1584 -33.1001 26.3123 -33.2157 -13.0226 -15.4274 22.2158 -16.9294 40.0751 TIMING: 1769200 CPU: 5263.94, 0.0029553/step Wall: 5263.94, 0.0029553/step, 2.65222 hours remaining, 206.320312 MB of memory in use. ENERGY: 1769200 753.9153 2124.2743 1928.4743 100.9494 -206416.5219 17750.4457 0.0000 0.0000 34732.1778 -149026.2850 303.3247 -183758.4628 -148928.6012 300.5682 -91.4533 -56.5353 556835.7708 -0.0548 -0.0353 PRESSURE: 1769400 -81.2784 124.79 -23.7484 124.791 -41.1899 -50.6802 -23.7478 -50.6802 -56.4682 GPRESSURE: 1769400 -14.1947 74.7925 31.7538 146.75 -4.75926 -58.3915 -29.0891 8.90153 -67.062 PRESSAVG: 1769400 41.5994 11.0818 -25.2145 11.0818 -73.1942 -16.1543 -25.2145 -16.1543 95.8233 GPRESSAVG: 1769400 40.2719 13.3213 -27.4542 10.787 -71.323 -19.3403 -25.5359 -14.2685 95.4386 TIMING: 1769400 CPU: 5264.53, 0.00294282/step Wall: 5264.53, 0.00294282/step, 2.64085 hours remaining, 206.320312 MB of memory in use. ENERGY: 1769400 730.7939 2133.5302 1941.4655 113.2417 -205813.6963 17567.7386 0.0000 0.0000 34401.2233 -148925.7032 300.4344 -183326.9265 -148821.9973 300.5721 -59.6455 -28.6720 557677.2691 21.4095 21.4625 PRESSURE: 1769600 -291.881 104.029 -16.0034 104.029 -290.197 -26.6903 -16.0033 -26.692 -62.9513 GPRESSURE: 1769600 -235.296 102.392 29.9579 37.975 -258.729 -96.5098 -60.7146 67.1365 -60.1908 PRESSAVG: 1769600 89.1764 -15.0059 38.8741 -15.006 -40.3839 -25.9549 38.874 -25.955 -65.3771 GPRESSAVG: 1769600 89.5989 -16.4184 40.5181 -14.6594 -41.9495 -25.7824 39.8089 -27.67 -64.228 TIMING: 1769600 CPU: 5265.13, 0.00297161/step Wall: 5265.13, 0.00297161/step, 2.66653 hours remaining, 206.320312 MB of memory in use. ENERGY: 1769600 735.0939 2104.3952 1988.1860 113.9935 -205761.7571 17498.6480 0.0000 0.0000 34192.2938 -149129.1466 298.6098 -183321.4404 -149034.9146 299.8913 -215.0100 -184.7387 557534.0532 -5.5282 -5.5262 PRESSURE: 1769800 -85.8512 24.3025 9.5303 24.3022 181.337 -86.8739 9.53038 -86.873 -17.7206 GPRESSURE: 1769800 -55.0304 10.0557 -106.153 13.3835 235.48 -192.812 64.4006 -115.94 -10.1445 PRESSAVG: 1769800 51.4862 60.3431 29.6864 60.343 -105.688 -73.9045 29.6863 -73.9046 5.40579 GPRESSAVG: 1769800 51.6385 61.6003 27.504 59.41 -104.695 -75.5443 30.4225 -72.617 4.56736 TIMING: 1769800 CPU: 5265.72, 0.00297705/step Wall: 5265.72, 0.00297704/step, 2.67124 hours remaining, 206.320312 MB of memory in use. ENERGY: 1769800 683.8740 2092.5992 1947.9294 118.8019 -205849.3896 17516.6900 0.0000 0.0000 34339.2073 -149150.2878 299.8928 -183489.4951 -149053.6404 298.6701 25.9217 56.7682 557275.5328 -16.2654 -16.1629 PRESSURE: 1770000 -153.17 83.2866 179.339 83.2854 -203.816 131.837 179.338 131.836 39.0866 GPRESSURE: 1770000 -142.495 3.23505 180.76 206.835 -164.075 87.6443 154.692 132.907 70.0838 PRESSAVG: 1770000 41.5967 8.7278 25.3472 8.72788 -24.8898 -73.719 25.3472 -73.719 -3.31695 GPRESSAVG: 1770000 41.4773 10.3952 26.047 8.02659 -24.5219 -72.5567 25.7803 -73.6058 -3.74253 TIMING: 1770000 CPU: 5266.32, 0.00297887/step Wall: 5266.32, 0.00297887/step, 2.67271 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: 1770000 774.1447 2144.4592 1939.1340 108.5158 -206210.1213 17661.6390 0.0000 0.0000 34405.0391 -149177.1894 300.4678 -183582.2285 -149081.2039 299.6590 -105.9664 -78.8285 557015.7801 4.4633 4.4043 PRESSURE: 1770200 28.23 41.262 -152.681 41.2621 -64.2168 -52.8621 -152.68 -52.8617 329.435 GPRESSURE: 1770200 89.9414 108.822 -129.361 65.6194 -20.1016 -86.2238 -126.313 -19.3589 337.243 PRESSAVG: 1770200 -9.61129 55.6055 35.2299 55.6054 -71.1436 -35.3221 35.23 -35.322 72.2049 GPRESSAVG: 1770200 -10.2982 54.9392 35.8043 56.3502 -70.9552 -33.0579 35.032 -37.4592 73.457 TIMING: 1770200 CPU: 5266.91, 0.00297233/step Wall: 5266.91, 0.00297233/step, 2.66667 hours remaining, 206.320312 MB of memory in use. ENERGY: 1770200 766.1422 2059.0016 1962.5348 104.3073 -206444.4602 17998.0638 0.0000 0.0000 34289.5881 -149264.8224 299.4595 -183554.4105 -149168.9444 299.1393 97.8160 135.6941 557534.2775 -2.8500 -2.5988 PRESSURE: 1770400 4.35353 -2.94266 -137.418 -2.94367 3.60369 25.3442 -137.418 25.3429 324.457 GPRESSURE: 1770400 76.2795 -12.8363 -200.044 64.1719 -3.51405 145.281 -94.3186 -58.2732 354.422 PRESSAVG: 1770400 -21.8159 17.9293 -0.774419 17.9292 -81.6125 -27.0491 -0.77433 -27.049 46.1429 GPRESSAVG: 1770400 -20.7472 15.75 -2.1306 18.2189 -82.0166 -28.8373 -1.49548 -25.6955 44.889 TIMING: 1770400 CPU: 5267.51, 0.00298353/step Wall: 5267.51, 0.00298353/step, 2.67655 hours remaining, 206.320312 MB of memory in use. ENERGY: 1770400 727.4206 2059.5165 1969.5511 121.1772 -206396.8359 17837.3069 0.0000 0.0000 34389.7778 -149292.0857 300.3345 -183681.8635 -149201.2310 299.4399 110.8047 142.3957 556615.2281 -19.0952 -19.2916 PRESSURE: 1770600 187.456 42.6044 170.198 42.6037 94.3362 9.87746 170.198 9.87729 218.406 GPRESSURE: 1770600 249.239 31.1032 142.145 23.4394 114.271 -35.8217 121.243 -16.2386 227.646 PRESSAVG: 1770600 73.3224 -30.5343 0.979532 -30.5343 -101.202 -25.5758 0.979402 -25.5758 34.1218 GPRESSAVG: 1770600 72.3036 -29.4795 2.3875 -31.1626 -101.279 -26.5485 1.15605 -22.3709 35.2669 TIMING: 1770600 CPU: 5268.1, 0.00296881/step Wall: 5268.1, 0.00296881/step, 2.66318 hours remaining, 206.320312 MB of memory in use. ENERGY: 1770600 720.6200 2101.3593 1972.8949 102.6750 -206537.4960 18158.6254 0.0000 0.0000 34076.8124 -149404.5090 297.6013 -183481.3214 -149306.7217 299.1657 166.7326 197.0521 556629.6757 2.0808 2.0971 PRESSURE: 1770800 -233.143 41.4772 -177.624 41.4771 -114.993 -102.473 -177.624 -102.472 -182.489 GPRESSURE: 1770800 -237.481 37.1148 -64.0346 -3.91639 -20.8204 -90.485 -269.88 -29.8336 -184.621 PRESSAVG: 1770800 9.64254 -14.0324 11.4444 -14.0324 55.5011 16.771 11.4444 16.7711 -26.3882 GPRESSAVG: 1770800 9.88457 -14.5926 12.5698 -13.3923 56.3554 19.1329 9.62201 14.5032 -26.9564 TIMING: 1770800 CPU: 5268.69, 0.00294607/step Wall: 5268.69, 0.00294607/step, 2.64263 hours remaining, 206.320312 MB of memory in use. ENERGY: 1770800 735.7891 2102.3138 1939.6158 116.3764 -205872.1323 17559.5457 0.0000 0.0000 34026.8317 -149391.6599 297.1648 -183418.4916 -149290.8129 298.7043 -176.8748 -147.6407 557654.8063 12.9185 13.0945 PRESSURE: 1771000 -107.409 -141.616 -61.6783 -141.617 -137.787 94.1696 -61.6796 94.1689 -11.4591 GPRESSURE: 1771000 -52.5428 -210.221 -53.9746 -51.4068 -119.955 69.8402 -142.384 102.19 4.18277 PRESSAVG: 1771000 0.0462479 -38.5129 -12.8994 -38.5129 63.1744 -5.74436 -12.8994 -5.74442 -62.3752 GPRESSAVG: 1771000 0.82211 -38.0756 -14.3178 -35.7682 62.9506 -7.41846 -11.359 -5.31416 -62.4434 TIMING: 1771000 CPU: 5269.28, 0.00295031/step Wall: 5269.28, 0.00295031/step, 2.64627 hours remaining, 206.320312 MB of memory in use. ENERGY: 1771000 814.9363 2128.6956 1961.4494 108.6272 -206321.9332 17807.1365 0.0000 0.0000 34309.0904 -149191.9978 299.6298 -183501.0882 -149096.7182 299.2107 -85.5515 -56.1050 557724.2626 0.2818 0.4431 PRESSURE: 1771200 -231.723 104.979 63.2285 104.981 -30.8969 -173.51 63.2272 -173.51 -160.626 GPRESSURE: 1771200 -232.811 60.8328 51.0851 64.933 -12.9553 -153.783 85.9949 -191.98 -95.0585 PRESSAVG: 1771200 17.6029 -36.889 17.2815 -36.889 -60.9971 -32.3711 17.2815 -32.3712 52.0645 GPRESSAVG: 1771200 17.1929 -36.7029 15.9452 -39.0532 -60.869 -33.2334 17.6873 -32.607 52.1621 TIMING: 1771200 CPU: 5269.88, 0.00298175/step Wall: 5269.88, 0.00298175/step, 2.6743 hours remaining, 206.320312 MB of memory in use. ENERGY: 1771200 763.6474 2068.5461 1978.4043 100.7582 -205699.3748 17306.6309 0.0000 0.0000 34383.2810 -149098.1068 300.2777 -183481.3879 -149001.8829 299.7999 -141.0819 -113.6083 557735.5608 2.8901 2.8287 PRESSURE: 1771400 271.678 76.7862 -41.8241 76.7859 201.509 19.207 -41.8241 19.2067 398.034 GPRESSURE: 1771400 287.144 71.1354 -66.0269 -16.6713 217.835 -20.1424 -9.63278 67.0681 468.488 PRESSAVG: 1771400 -64.9974 20.7286 35.2179 20.7286 30.9027 24.2615 35.2177 24.2614 53.6202 GPRESSAVG: 1771400 -65.3181 19.5089 36.6055 21.8038 31.8688 24.9788 34.1032 23.2102 52.8396 TIMING: 1771400 CPU: 5270.47, 0.00296785/step Wall: 5270.47, 0.00296785/step, 2.66167 hours remaining, 206.320312 MB of memory in use. ENERGY: 1771400 721.2219 2078.0047 1960.1077 104.6700 -206499.0410 18055.1320 0.0000 0.0000 34404.0187 -149175.8859 300.4589 -183579.9046 -149082.9873 300.0049 290.4070 324.4892 556212.4926 6.5085 6.4634 PRESSURE: 1771600 75.4932 -161.619 33.1204 -161.62 -141.616 -62.7039 33.1211 -62.7044 -268.724 GPRESSURE: 1771600 56.3342 -209.167 -16.122 -61.9016 -93.5518 1.7707 -14.6854 -58.6985 -203.691 PRESSAVG: 1771600 -55.826 -70.2163 7.02472 -70.2164 -8.70091 -3.12414 7.02478 -3.1242 75.9387 GPRESSAVG: 1771600 -55.5094 -69.6073 6.68747 -69.6511 -9.11917 -3.74175 8.73702 -3.98642 76.1381 TIMING: 1771600 CPU: 5271.06, 0.0029577/step Wall: 5271.06, 0.0029577/step, 2.6524 hours remaining, 206.320312 MB of memory in use. ENERGY: 1771600 743.4457 2119.2960 1964.1534 124.6606 -206070.8979 17692.7448 0.0000 0.0000 34259.6493 -149166.9481 299.1980 -183426.5974 -149072.1714 298.9526 -111.6157 -80.3029 557923.6882 3.8039 3.8365 PRESSURE: 1771800 -8.29763 144.709 17.7432 144.708 0.526343 77.1201 17.743 77.1198 -35.9213 GPRESSURE: 1771800 64.2519 253.869 1.00188 102.036 2.41009 67.6098 -8.94078 50.6501 -7.8118 PRESSAVG: 1771800 -11.5886 0.556073 -4.68374 0.556072 -5.64409 28.8919 -4.68369 28.8919 53.0333 GPRESSAVG: 1771800 -11.7223 0.800492 -4.7474 0.247619 -7.0087 30.774 -6.40562 28.8733 54.7208 TIMING: 1771800 CPU: 5271.65, 0.00295177/step Wall: 5271.65, 0.00295177/step, 2.64692 hours remaining, 206.320312 MB of memory in use. ENERGY: 1771800 752.9175 2022.9682 1953.8515 105.7620 -206093.7774 17877.2256 0.0000 0.0000 34207.7451 -149173.3075 298.7447 -183381.0526 -149075.2873 298.9675 -14.5642 19.6167 556890.0911 11.9335 11.9966 PRESSURE: 1772000 90.6702 217.94 15.1548 217.94 -87.8208 -156.703 15.154 -156.702 200.157 GPRESSURE: 1772000 117.931 243.981 51.1969 215.994 -46.4004 33.8122 -23.725 -225.025 230.822 PRESSAVG: 1772000 -68.5691 49.8426 39.1572 49.8426 41.8822 -26.2722 39.1571 -26.2721 18.4395 GPRESSAVG: 1772000 -68.9483 50.9841 38.4681 46.9012 43.6786 -27.8406 39.8515 -25.1588 17.6527 TIMING: 1772000 CPU: 5272.25, 0.00298857/step Wall: 5272.25, 0.00298857/step, 2.67975 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: 1772000 689.0564 2077.3153 1927.8933 104.8809 -206446.0991 17915.5221 0.0000 0.0000 34446.1761 -149285.2550 300.8270 -183731.4311 -149191.6919 299.1139 67.6689 100.7839 558177.1693 -2.7491 -2.5390 PRESSURE: 1772200 28.5974 -6.86846 44.9298 -6.86907 -105.319 89.2102 44.9305 89.2108 21.7886 GPRESSURE: 1772200 80.0325 26.1829 184.729 -96.4849 -147.967 91.1071 -97.5011 54.4462 103.779 PRESSAVG: 1772200 -13.5802 23.4591 25.6886 23.459 -28.3449 -51.2814 25.6885 -51.2813 1.96618 GPRESSAVG: 1772200 -13.372 24.9748 25.9389 23.343 -28.2969 -51.7438 23.6863 -50.966 2.40967 TIMING: 1772200 CPU: 5272.85, 0.0029856/step Wall: 5272.85, 0.0029856/step, 2.67692 hours remaining, 206.320312 MB of memory in use. ENERGY: 1772200 746.7863 2101.2448 1930.5601 113.2781 -206448.5678 17949.3801 0.0000 0.0000 34392.9540 -149214.3644 300.3622 -183607.3185 -149120.1454 299.1976 -18.3111 11.9482 557369.9760 -13.3196 -13.0864 LDB: ============= START OF LOAD BALANCING ============== 5276.28 LDB: ============== END OF LOAD BALANCING =============== 5276.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5276.28 LDB: ============= START OF LOAD BALANCING ============== 5276.58 LDB: Largest compute 4848 load 0.022481 is 19.0% of average load 0.118070 LDB: Average compute 0.001729 is 1.5% of average load 0.118070 LDB: TIME 5276.58 LOAD: AVG 0.11807 MAX 0.199392 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 5276.58 LOAD: AVG 0.11807 MAX 0.199392 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 5276.58 LOAD: AVG 0.11807 MAX 0.199392 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5276.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5276.58 PRESSURE: 1772400 -182.501 -13.8024 -97.3711 -13.8017 -94.7292 127.976 -97.3701 127.976 -246.995 GPRESSURE: 1772400 -139.115 -51.6358 -165.008 -4.80726 -111.773 92.7257 27.7218 87.5869 -185.159 PRESSAVG: 1772400 2.20241 12.5311 -29.1288 12.5311 -11.2115 -26.0702 -29.1287 -26.0701 38.7293 GPRESSAVG: 1772400 4.31469 12.316 -27.4338 14.6097 -12.089 -25.5987 -26.6447 -27.0077 37.2639 TIMING: 1772400 CPU: 5273.45, 0.00303315/step Wall: 5273.45, 0.00303315/step, 2.71939 hours remaining, 206.453125 MB of memory in use. ENERGY: 1772400 733.0918 2071.6562 1938.3111 111.4873 -206046.4534 17690.7358 0.0000 0.0000 34238.0230 -149263.1482 299.0092 -183501.1712 -149171.0979 299.1482 -174.7418 -145.3490 557925.5757 9.9067 9.8299 PRESSURE: 1772600 -199.738 -64.4265 67.769 -64.4261 -196.408 -81.9796 67.7691 -81.9799 -441.469 GPRESSURE: 1772600 -193.565 1.61393 21.3027 -80.8202 -96.7991 -90.7945 45.4567 -38.9244 -462.53 PRESSAVG: 1772600 -18.3023 14.0271 33.4906 14.027 71.3536 -31.328 33.4907 -31.328 -13.6759 GPRESSAVG: 1772600 -19.5997 11.659 32.7673 15.0054 71.5885 -31.6077 33.2412 -29.2328 -12.2485 TIMING: 1772600 CPU: 5274.05, 0.00297477/step Wall: 5274.05, 0.00297477/step, 2.66688 hours remaining, 206.656250 MB of memory in use. ENERGY: 1772600 728.4705 2092.6911 1983.5143 113.9323 -205785.8750 17305.0002 0.0000 0.0000 34233.0149 -149329.2518 298.9654 -183562.2667 -149234.0309 299.4551 -279.2049 -250.9649 558223.6344 13.1251 13.2468 PRESSURE: 1772800 -236.936 -107.979 144.766 -107.979 -302.052 47.8735 144.765 47.8738 232.38 GPRESSURE: 1772800 -146.204 -115.149 83.5233 -130.185 -271.962 28.1775 194.489 56.0457 196.346 PRESSAVG: 1772800 1.70997 3.75463 11.8554 3.75467 -32.7903 -0.880605 11.8555 -0.880628 0.961397 GPRESSAVG: 1772800 1.34933 6.32556 11.9728 2.98748 -31.3272 -0.511056 11.4805 -3.7718 -0.221873 TIMING: 1772800 CPU: 5274.64, 0.00296038/step Wall: 5274.64, 0.00296038/step, 2.65381 hours remaining, 206.656250 MB of memory in use. ENERGY: 1772800 737.1972 2113.5763 1961.2121 127.8089 -206085.2301 17532.4639 0.0000 0.0000 34221.8892 -149391.0824 298.8683 -183612.9716 -149296.0748 298.6243 -102.2025 -73.9401 558362.0937 -10.0396 -10.0666 PRESSURE: 1773000 141.169 -50.6923 -16.0708 -50.6916 -53.8611 -101.086 -16.07 -101.087 328.028 GPRESSURE: 1773000 182.466 5.75646 -91.7934 -54.6006 12.0766 -78.2139 6.9815 -126.752 319.796 PRESSAVG: 1773000 -21.7214 -0.408374 -0.0290917 -0.40837 -11.0566 -21.6798 -0.0290792 -21.6799 43.2125 GPRESSAVG: 1773000 -22.2608 -1.1266 -1.825 -1.16481 -11.641 -21.4992 0.76273 -21.5388 45.1338 TIMING: 1773000 CPU: 5275.23, 0.0029529/step Wall: 5275.23, 0.0029529/step, 2.64695 hours remaining, 206.656250 MB of memory in use. ENERGY: 1773000 689.2066 2133.3204 1953.5047 107.7952 -206453.8476 17880.6039 0.0000 0.0000 34354.4476 -149334.9692 300.0259 -183689.4168 -149236.4602 298.6242 138.4453 171.4462 557411.5140 3.4782 3.7440 PRESSURE: 1773200 -66.1043 8.84809 -55.4272 8.84768 293.498 210.342 -55.4275 210.344 -74.608 GPRESSURE: 1773200 -43.6992 0.153287 16.4767 16.0346 273.023 196.134 -50.4868 246.348 16.8257 PRESSAVG: 1773200 -44.744 -13.2528 40.3809 -13.2527 17.5387 -13.2971 40.3809 -13.2971 7.60048 GPRESSAVG: 1773200 -44.5019 -14.5783 42.2185 -13.0959 18.0698 -12.8474 38.3635 -12.6922 6.29998 TIMING: 1773200 CPU: 5275.82, 0.00296469/step Wall: 5275.82, 0.00296469/step, 2.65735 hours remaining, 206.656250 MB of memory in use. ENERGY: 1773200 748.1158 2140.5614 1932.4395 116.6339 -206572.3913 18046.2524 0.0000 0.0000 34210.9243 -149377.4640 298.7725 -183588.3883 -149277.6472 298.9957 50.9285 82.0497 557075.9963 -6.5349 -6.7107 PRESSURE: 1773400 117.607 -59.3524 75.2546 -59.3529 371.853 3.75738 75.2548 3.75745 21.1306 GPRESSURE: 1773400 187.333 -75.7583 65.4216 -39.6217 398.409 38.4134 165.926 -61.7874 25.878 PRESSAVG: 1773400 34.377 6.83388 4.99462 6.83386 -90.0087 20.056 4.99453 20.0561 -1.33795 GPRESSAVG: 1773400 33.3465 7.55732 2.33329 7.17107 -89.5792 18.6492 5.91742 19.6317 -0.306796 TIMING: 1773400 CPU: 5276.42, 0.00296053/step Wall: 5276.42, 0.00296053/step, 2.65346 hours remaining, 206.656250 MB of memory in use. ENERGY: 1773400 762.9085 2094.5162 1952.0393 119.0969 -206937.4397 18285.5494 0.0000 0.0000 34248.8252 -149474.5042 299.1035 -183723.3294 -149376.7821 298.6014 170.1971 203.8732 557248.9288 -18.9899 -18.8465 PRESSURE: 1773600 62.6183 31.4387 -123.634 31.438 211.196 7.10361 -123.635 7.10327 -167.35 GPRESSURE: 1773600 72.0387 58.5013 -84.0111 42.2417 198.941 15.0709 -58.5861 -6.76201 -63.539 PRESSAVG: 1773600 -20.2542 8.16907 4.71503 8.16906 59.9826 3.24061 4.71499 3.24059 17.0671 GPRESSAVG: 1773600 -19.2549 8.77465 5.94669 7.13686 58.6428 3.99141 4.29345 3.96523 17.4978 TIMING: 1773600 CPU: 5277.01, 0.00299037/step Wall: 5277.01, 0.00299037/step, 2.68004 hours remaining, 206.656250 MB of memory in use. ENERGY: 1773600 788.6629 2087.3935 1972.3572 115.6359 -206445.5200 17999.1450 0.0000 0.0000 34070.5170 -149411.8085 297.5463 -183482.3255 -149316.0555 298.0512 35.4883 69.1469 558138.4661 18.9319 18.9619 PRESSURE: 1773800 131.48 144.094 8.0522 144.094 -161.597 -0.463636 8.05299 -0.463802 -145.671 GPRESSURE: 1773800 116.819 101.191 1.6192 149.729 -119.69 34.6817 47.6459 24.6527 -74.2808 PRESSAVG: 1773800 26.2748 25.3054 -18.3455 25.3054 50.3761 19.381 -18.3455 19.3811 -65.0303 GPRESSAVG: 1773800 25.8067 24.6932 -17.9133 26.2072 51.6559 19.5978 -19.0335 19.5079 -65.8067 TIMING: 1773800 CPU: 5277.61, 0.00296229/step Wall: 5277.61, 0.00296229/step, 2.6547 hours remaining, 206.656250 MB of memory in use. ENERGY: 1773800 775.0808 2065.9776 1959.7006 105.4980 -206515.1927 17919.9479 0.0000 0.0000 34333.0903 -149355.8974 299.8394 -183688.9878 -149261.3178 298.9201 -58.5958 -25.7172 557892.6460 3.8735 3.8853 PRESSURE: 1774000 -55.2457 -18.389 23.0455 -18.3893 233.667 -36.6158 23.0447 -36.6156 139.354 GPRESSURE: 1774000 8.66791 -45.1665 -3.34075 -40.4938 244.301 -28.1325 23.0852 -19.7453 169.257 PRESSAVG: 1774000 -45.2486 89.3067 -38.842 89.3067 33.6864 51.5661 -38.842 51.5661 36.7578 GPRESSAVG: 1774000 -43.9347 90.7891 -38.0061 88.0356 32.5153 50.8805 -37.6744 52.2626 37.1783 TIMING: 1774000 CPU: 5278.2, 0.00298118/step Wall: 5278.2, 0.00298118/step, 2.67147 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: 1774000 721.8373 2103.6755 1935.1309 122.8373 -206404.2350 17954.2624 0.0000 0.0000 34242.7054 -149323.7864 299.0501 -183566.4918 -149223.4482 299.1423 105.9253 140.7421 557476.2720 8.3985 8.5863 PRESSURE: 1774200 13.9332 -43.3662 -116.61 -43.3669 159.754 24.5926 -116.611 24.5939 -145.221 GPRESSURE: 1774200 94.6169 -55.2609 -144.611 -61.017 185.683 -19.2422 -12.9001 89.2064 -162.976 PRESSAVG: 1774200 -116.039 -8.28079 -29.8706 -8.28077 123.365 14.7793 -29.8708 14.7791 -7.03501 GPRESSAVG: 1774200 -117.096 -8.26606 -29.6589 -7.18594 123.581 13.7216 -30.5491 16.0254 -6.54918 TIMING: 1774200 CPU: 5278.79, 0.00294083/step Wall: 5278.79, 0.00294083/step, 2.63515 hours remaining, 206.656250 MB of memory in use. ENERGY: 1774200 748.8181 2072.2148 1943.7515 112.4381 -206045.5100 17676.5867 0.0000 0.0000 34305.0458 -149186.6549 299.5945 -183491.7007 -149091.8164 299.1535 9.4887 39.1077 556774.6471 0.0969 -0.0215 PRESSURE: 1774400 24.9302 -83.8068 -5.14159 -83.8056 82.8049 37.3379 -5.14027 37.3396 96.3801 GPRESSURE: 1774400 119.436 -42.5457 34.1013 -89.5284 55.4168 -59.4657 -68.0584 43.7125 117.433 PRESSAVG: 1774400 21.5727 -11.5976 7.1552 -11.5977 21.9863 2.05578 7.15515 2.05563 -65.8603 GPRESSAVG: 1774400 21.2542 -12.9998 5.59349 -10.5215 21.3287 1.66147 8.26459 0.535369 -65.1099 TIMING: 1774400 CPU: 5279.38, 0.00295193/step Wall: 5279.38, 0.00295193/step, 2.64493 hours remaining, 206.656250 MB of memory in use. ENERGY: 1774400 727.3607 2033.0827 1959.4325 119.5275 -206153.1816 17889.8909 0.0000 0.0000 34108.0394 -149315.8480 297.8740 -183423.8874 -149215.2889 299.5339 68.0384 97.4289 556536.0632 -7.4338 -7.5090 PRESSURE: 1774600 -1.56105 96.0917 -107.762 96.0918 93.3409 -13.6978 -107.762 -13.6976 105.023 GPRESSURE: 1774600 23.8832 107.658 -84.5906 71.1939 90.2999 67.3638 -94.5419 -25.0203 178.739 PRESSAVG: 1774600 -14.1666 14.8296 -66.9068 14.8295 11.9627 6.37245 -66.9069 6.37245 1.06875 GPRESSAVG: 1774600 -14.2663 16.1991 -64.6042 14.4627 12.2996 8.35775 -67.5384 6.40176 0.0489613 TIMING: 1774600 CPU: 5279.97, 0.00293857/step Wall: 5279.97, 0.00293857/step, 2.63279 hours remaining, 206.656250 MB of memory in use. ENERGY: 1774600 730.4760 2133.0882 1952.3993 114.5232 -206331.8256 17898.8654 0.0000 0.0000 34193.9057 -149308.5678 298.6239 -183502.4736 -149215.1903 299.3116 65.6008 97.6406 556644.3507 -0.3784 -0.6393 PRESSURE: 1774800 4.77316 -56.6934 -2.72303 -56.6965 8.65154 135.097 -2.72241 135.096 -19.1776 GPRESSURE: 1774800 60.6003 -25.4744 -23.961 -13.7295 38.4695 48.7444 58.5154 134.156 -4.8483 PRESSAVG: 1774800 -26.1419 -19.7891 -46.8775 -19.7891 80.0083 -57.3901 -46.8776 -57.3899 -32.6413 GPRESSAVG: 1774800 -26.4072 -20.812 -46.7822 -19.6949 79.8531 -58.2431 -49.9377 -58.0082 -33.0186 TIMING: 1774800 CPU: 5280.56, 0.00294623/step Wall: 5280.56, 0.00294623/step, 2.6395 hours remaining, 206.656250 MB of memory in use. ENERGY: 1774800 720.3360 2030.9529 1978.0607 115.9155 -206211.5243 17828.8058 0.0000 0.0000 34123.1328 -149414.3206 298.0058 -183537.4534 -149315.8018 298.9687 -1.9176 31.4072 557575.5856 7.0750 6.8091 PRESSURE: 1775000 -234.747 -45.3064 54.0059 -45.3068 85.6168 106.229 54.0056 106.228 -17.9236 GPRESSURE: 1775000 -154.123 -8.64306 -1.47586 40.9253 104.956 90.5424 21.1623 62.1023 -8.82132 PRESSAVG: 1775000 -48.0125 32.568 -13.8263 32.5679 34.2412 -1.2032 -13.8263 -1.20313 15.4152 GPRESSAVG: 1775000 -47.2565 31.9468 -17.6564 32.3217 33.9365 -2.69521 -10.6439 0.500665 15.0845 TIMING: 1775000 CPU: 5281.15, 0.00297235/step Wall: 5281.15, 0.00297235/step, 2.66273 hours remaining, 206.656250 MB of memory in use. ENERGY: 1775000 722.8460 2056.5594 1953.5718 107.2964 -206368.6201 17858.9301 0.0000 0.0000 34251.0956 -149418.3210 299.1233 -183669.4166 -149327.2906 298.3216 -55.6847 -19.3294 558257.8800 0.5480 0.5882 PRESSURE: 1775200 212.055 38.8279 92.6185 38.8283 193.87 1.35755 92.6183 1.35805 250.121 GPRESSURE: 1775200 239.356 -82.565 93.713 83.8913 189.781 -26.3996 64.3619 -59.3854 307.96 PRESSAVG: 1775200 -95.234 27.8177 27.9041 27.8177 2.56352 35.3409 27.904 35.3409 50.6901 GPRESSAVG: 1775200 -94.3268 28.2983 28.898 27.7145 1.73202 36.0056 28.0515 34.3168 51.1591 TIMING: 1775200 CPU: 5281.75, 0.00296435/step Wall: 5281.75, 0.00296435/step, 2.6554 hours remaining, 206.656250 MB of memory in use. ENERGY: 1775200 747.1377 2057.9860 1964.7928 112.6458 -206806.2788 18148.8318 0.0000 0.0000 34301.7656 -149473.1191 299.5659 -183774.8847 -149375.0886 298.5364 218.6817 245.6988 556773.8427 -13.9935 -13.8119 PRESSURE: 1775400 -76.9464 104.896 54.6062 104.896 70.9457 -39.2547 54.6053 -39.2538 51.4966 GPRESSURE: 1775400 -26.9617 146.63 91.6245 61.6791 87.4553 -20.8215 8.2427 -6.95248 92.8676 PRESSAVG: 1775400 -54.2785 51.6898 2.35088 51.6897 -20.0328 49.2765 2.35089 49.2765 66.5397 GPRESSAVG: 1775400 -55.6732 52.2918 2.64924 52.1722 -18.6405 49.6799 2.66884 50.0564 66.2261 TIMING: 1775400 CPU: 5282.34, 0.00295771/step Wall: 5282.34, 0.00295771/step, 2.64928 hours remaining, 206.656250 MB of memory in use. ENERGY: 1775400 775.4891 2116.8296 1911.2049 98.2203 -206379.3051 17957.6011 0.0000 0.0000 34274.7180 -149245.2422 299.3296 -183519.9602 -149144.9742 298.7688 15.1653 51.1204 558349.4760 -2.5906 -2.6959 PRESSURE: 1775600 -257.35 -107.862 10.5363 -107.864 -203.444 21.2562 10.5365 21.2542 -327.344 GPRESSURE: 1775600 -174.546 -65.3702 9.3901 -69.4009 -194.863 16.8764 11.1592 77.7326 -319.76 PRESSAVG: 1775600 17.3189 -8.53915 -0.880461 -8.53912 26.9161 75.5022 -0.880398 75.5024 -38.3166 GPRESSAVG: 1775600 17.4316 -7.89115 0.0783936 -9.11842 26.0808 75.1522 -1.15326 75.5049 -38.0639 TIMING: 1775600 CPU: 5282.93, 0.00294142/step Wall: 5282.93, 0.00294142/step, 2.63453 hours remaining, 206.656250 MB of memory in use. ENERGY: 1775600 751.8323 2090.8232 1934.6290 108.5763 -205676.7931 17478.2287 0.0000 0.0000 34216.7313 -149095.9722 298.8232 -183312.7035 -148993.3525 299.3799 -262.7123 -229.7231 557775.2661 1.9728 1.8162 PRESSURE: 1775800 122.107 82.7112 -72.8463 82.7123 -190.872 272.433 -72.8468 272.433 -128.079 GPRESSURE: 1775800 162.49 127.587 -112.478 0.794836 -122.134 323.327 -75.8925 275.994 -143.996 PRESSAVG: 1775800 -7.57079 -28.6823 -9.33161 -28.6822 21.9059 54.5302 -9.33161 54.5301 24.5147 GPRESSAVG: 1775800 -7.4678 -29.0843 -9.53881 -28.8455 23.285 56.3409 -11.3589 53.7602 23.2725 TIMING: 1775800 CPU: 5283.52, 0.00295868/step Wall: 5283.52, 0.00295868/step, 2.64983 hours remaining, 206.656250 MB of memory in use. ENERGY: 1775800 707.7105 2079.8791 1993.3809 112.5540 -205506.7856 17617.8635 0.0000 0.0000 34050.5795 -148944.8181 297.3722 -182995.3975 -148846.2458 299.1157 -65.6145 -34.5467 559534.9210 12.9499 13.0299 PRESSURE: 1776000 -82.1645 -149.397 35.761 -149.397 -220.967 -2.90516 35.7606 -2.90573 -52.6943 GPRESSURE: 1776000 -41.0228 -215.508 93.8161 -97.636 -250.537 -41.0462 136.118 5.42563 14.9686 PRESSAVG: 1776000 15.8634 -8.38967 4.23519 -8.38974 -50.3765 62.2842 4.23513 62.2841 39.6267 GPRESSAVG: 1776000 16.2821 -7.88062 4.33741 -8.44031 -51.3849 60.0092 6.58667 63.2258 39.7017 TIMING: 1776000 CPU: 5284.12, 0.00299297/step Wall: 5284.12, 0.00299297/step, 2.68037 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: 1776000 741.9195 2056.6815 1963.6741 126.5856 -206152.9149 17810.2930 0.0000 0.0000 34309.5955 -149144.1658 299.6342 -183453.7613 -149042.1571 299.3773 -118.6086 -92.1970 559331.4725 1.7045 1.5330 PRESSURE: 1776200 -106.454 -255.761 -20.332 -255.761 7.06232 -17.3595 -20.3327 -17.3592 -104.041 GPRESSURE: 1776200 -115.092 -241.266 -116.304 -236.795 27.2998 -31.2964 24.9536 -57.4472 -25.9966 PRESSAVG: 1776200 24.5372 -45.0031 -13.1244 -45.0032 -9.157 29.8614 -13.1243 29.8615 -35.4846 GPRESSAVG: 1776200 23.9297 -43.1486 -14.0321 -44.7984 -9.02039 29.8817 -14.2123 31.7125 -35.2489 TIMING: 1776200 CPU: 5284.72, 0.00301883/step Wall: 5284.72, 0.00301883/step, 2.70337 hours remaining, 206.656250 MB of memory in use. ENERGY: 1776200 727.4002 2102.5513 1952.8110 112.2487 -206122.6944 17879.1860 0.0000 0.0000 34230.6452 -149117.8520 298.9447 -183348.4972 -149022.6225 299.3931 -67.8111 -37.9297 559067.3673 -6.7015 -6.7798 LDB: ============= START OF LOAD BALANCING ============== 5288.15 LDB: ============== END OF LOAD BALANCING =============== 5288.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5288.15 LDB: ============= START OF LOAD BALANCING ============== 5288.45 LDB: Largest compute 4847 load 0.022350 is 18.9% of average load 0.118022 LDB: Average compute 0.001729 is 1.5% of average load 0.118022 LDB: TIME 5288.45 LOAD: AVG 0.118022 MAX 0.199799 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 5288.45 LOAD: AVG 0.118022 MAX 0.199799 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: TIME 5288.45 LOAD: AVG 0.118022 MAX 0.199799 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: ============== END OF LOAD BALANCING =============== 5288.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 5288.46 Info: useSync: 0 useProxySync: 0 PRESSURE: 1776400 -80.5337 -86.1222 -32.3952 -86.1212 -126.037 -200.631 -32.3953 -200.63 -49.6585 GPRESSURE: 1776400 -79.2546 -116.862 -39.7633 -18.7053 -40.3054 -152.784 -65.6146 -181.254 -35.4575 PRESSAVG: 1776400 24.7375 -60.085 23.0687 -60.085 5.45053 5.31615 23.0687 5.31625 -31.5555 GPRESSAVG: 1776400 25.2637 -61.5413 24.4145 -59.1641 5.28406 5.10615 21.425 4.47087 -32.2744 TIMING: 1776400 CPU: 5285.33, 0.00305422/step Wall: 5285.33, 0.00305422/step, 2.73488 hours remaining, 206.511719 MB of memory in use. ENERGY: 1776400 715.1512 2099.5122 1944.9827 110.2811 -205912.2435 17714.9334 0.0000 0.0000 34258.3072 -149069.0758 299.1863 -183327.3829 -148968.0141 299.7855 -85.4098 -51.6725 558446.8093 -0.4558 -0.5755 PRESSURE: 1776600 182.242 56.0835 29.4525 56.0834 -226.794 -124.55 29.4521 -124.551 -286.179 GPRESSURE: 1776600 224.742 92.5051 106.852 19.5141 -182.176 -140.484 6.93726 -90.142 -279.264 PRESSAVG: 1776600 -16.5289 -13.7889 47.019 -13.789 11.5317 22.9886 47.019 22.9885 21.7579 GPRESSAVG: 1776600 -17.1894 -11.9609 46.0329 -14.8308 12.0477 21.7359 48.7833 24.0719 22.0505 TIMING: 1776600 CPU: 5285.93, 0.00298952/step Wall: 5285.93, 0.00298952/step, 2.67678 hours remaining, 206.714844 MB of memory in use. ENERGY: 1776600 744.5831 2104.6921 1934.6808 131.0066 -206148.2362 17770.1474 0.0000 0.0000 34462.8840 -149000.2422 300.9729 -183463.1262 -148897.9359 299.5518 -110.2436 -78.8994 559689.0507 5.5869 5.6362 PRESSURE: 1776800 -141.811 67.1375 -66.1097 67.1363 -171.129 -1.27294 -66.1089 -1.27325 -180.504 GPRESSURE: 1776800 -89.6299 156.07 -119.51 -39.4539 -151.946 -34.0856 -2.79747 7.37122 -163.063 PRESSAVG: 1776800 35.4983 -3.08935 33.0411 -3.08938 -3.37599 19.2604 33.0411 19.2604 -2.80609 GPRESSAVG: 1776800 35.0422 -3.75348 33.2425 -2.70087 -4.14098 19.5175 34.5273 18.155 -1.81608 TIMING: 1776800 CPU: 5286.52, 0.00296602/step Wall: 5286.52, 0.00296602/step, 2.65558 hours remaining, 206.714844 MB of memory in use. ENERGY: 1776800 743.6402 2080.3479 1941.7561 108.3219 -205847.6569 17653.2545 0.0000 0.0000 34262.4609 -149057.8753 299.2226 -183320.3362 -148958.7823 299.4019 -164.4811 -134.8798 559336.8921 9.7721 9.6950 PRESSURE: 1777000 -29.6876 24.2776 37.3694 24.2774 82.7133 82.0402 37.3683 82.04 -72.4778 GPRESSURE: 1777000 -8.42548 28.107 64.8722 42.8438 137.594 145.618 1.10599 -60.6661 -52.1262 PRESSAVG: 1777000 -13.7064 -1.08794 -26.5256 -1.0879 28.1018 0.103441 -26.5256 0.103302 -31.5992 GPRESSAVG: 1777000 -12.256 -2.38116 -27.4235 -2.5499 28.1717 1.12406 -26.0909 -2.38547 -33.3621 TIMING: 1777000 CPU: 5287.12, 0.00299226/step Wall: 5287.12, 0.00299226/step, 2.6789 hours remaining, 206.972656 MB of memory in use. ENERGY: 1777000 735.7085 2060.1390 1921.4461 120.3906 -206151.6862 17784.4535 0.0000 0.0000 34403.5680 -149125.9806 300.4549 -183529.5486 -149029.5336 299.7063 -6.4840 25.6807 558493.6871 -5.7346 -5.8155 PRESSURE: 1777200 -40.5408 -121.199 -58.0715 -121.2 19.8133 -2.37063 -58.0708 -2.36902 -335.852 GPRESSURE: 1777200 46.4372 -119.212 -47.0631 -123.977 40.2941 -45.3882 -100.345 -77.3544 -351.173 PRESSAVG: 1777200 41.5472 -29.6306 -39.0685 -29.6305 10.0074 -61.1216 -39.0686 -61.1215 -39.2042 GPRESSAVG: 1777200 39.6014 -28.2288 -38.9739 -28.6595 11.0144 -60.6143 -40.1121 -60.1464 -38.5013 TIMING: 1777200 CPU: 5287.72, 0.0029756/step Wall: 5287.72, 0.0029756/step, 2.66383 hours remaining, 206.972656 MB of memory in use. ENERGY: 1777200 738.3173 2165.8360 1926.6351 124.2003 -206257.9382 17657.8941 0.0000 0.0000 34582.1064 -149062.9490 302.0141 -183645.0554 -148964.8247 299.9671 -118.8598 -88.1473 558095.8694 4.1168 4.0382 PRESSURE: 1777400 -126.203 25.1528 3.47771 25.1521 75.1351 100.961 3.47899 100.959 -49.1596 GPRESSURE: 1777400 -108.883 34.4339 51.0469 10.1742 114.032 166.352 9.97532 89.9877 -18.0851 PRESSAVG: 1777400 -4.56086 -50.5967 7.51879 -50.5968 7.02553 38.6694 7.51871 38.6693 -31.7396 GPRESSAVG: 1777400 -3.58674 -52.4812 8.00324 -50.6655 6.17299 39.1292 7.01553 38.0884 -31.3641 TIMING: 1777400 CPU: 5288.31, 0.00298358/step Wall: 5288.31, 0.00298358/step, 2.6708 hours remaining, 206.972656 MB of memory in use. ENERGY: 1777400 741.3008 2105.4851 1945.0141 125.8101 -205657.3961 17602.5819 0.0000 0.0000 34254.6714 -148882.5329 299.1546 -183137.2043 -148782.8218 300.4868 -33.4091 -4.3119 558157.7586 -9.7583 -9.5926 PRESSURE: 1777600 -209.683 -109.173 -102.28 -109.173 -23.8772 90.5064 -102.279 90.5065 -97.435 GPRESSURE: 1777600 -113.579 -146.038 -173.962 -132.498 -36.5517 137.434 -111.882 112.434 -84.7295 PRESSAVG: 1777600 6.35251 -47.7016 -59.7763 -47.7016 24.9578 -23.8518 -59.7762 -23.8517 -9.37167 GPRESSAVG: 1777600 6.57934 -47.8179 -60.338 -49.6874 26.0108 -26.1959 -60.2064 -22.8882 -10.048 TIMING: 1777600 CPU: 5288.91, 0.00296342/step Wall: 5288.91, 0.00296342/step, 2.65259 hours remaining, 206.972656 MB of memory in use. ENERGY: 1777600 755.0769 2111.8139 1960.2158 120.1798 -205684.8591 17565.7583 0.0000 0.0000 34360.6583 -148811.1560 300.0802 -183171.8143 -148715.5161 300.8918 -110.3318 -78.2866 557376.1079 7.3129 7.5140 PRESSURE: 1777800 -41.6264 -102.278 -109.021 -102.279 151.061 -135.429 -109.022 -135.427 286.744 GPRESSURE: 1777800 -9.1652 -129.63 -45.0235 -38.7499 185.629 -168.213 -218.945 -86.0627 308.138 PRESSAVG: 1777800 11.3605 -12.532 16.2885 -12.5321 -10.4928 52.4793 16.2885 52.4792 58.4941 GPRESSAVG: 1777800 11.1034 -11.4399 18.3238 -11.0159 -11.9466 52.5826 16.1263 52.7678 59.4052 TIMING: 1777800 CPU: 5289.49, 0.00293855/step Wall: 5289.49, 0.00293855/step, 2.63017 hours remaining, 206.972656 MB of memory in use. ENERGY: 1777800 754.8792 2120.1237 1968.6286 127.6809 -206280.3088 17865.6173 0.0000 0.0000 34562.9115 -148880.4676 301.8465 -183443.3790 -148778.1201 300.7078 132.0597 161.5339 555932.3350 19.7873 19.5207 PRESSURE: 1778000 107.78 -105.216 176.53 -105.216 -41.3408 31.5125 176.531 31.5126 191.384 GPRESSURE: 1778000 75.1117 -127.341 161.089 20.223 82.6394 -58.5251 182.094 27.5754 213.668 PRESSAVG: 1778000 -6.27754 -21.7986 -25.2448 -21.7985 -52.539 38.6877 -25.2449 38.6877 65.2755 GPRESSAVG: 1778000 -7.22364 -23.3026 -27.448 -20.7501 -51.0701 40.0535 -25.2922 37.5119 64.5693 TIMING: 1778000 CPU: 5290.09, 0.00296954/step Wall: 5290.09, 0.00296954/step, 2.65774 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: 1778000 768.5609 2042.6228 1998.9478 107.7335 -206204.9139 17992.0359 0.0000 0.0000 34397.7885 -148897.2244 300.4044 -183295.0129 -148795.2257 300.8766 85.9410 123.8064 558304.6178 2.1530 2.0919 PRESSURE: 1778200 178.575 -101.583 -23.8814 -101.583 61.7522 -9.92517 -23.8819 -9.92504 -4.42775 GPRESSURE: 1778200 204.119 -30.585 -11.184 -130.097 64.3347 -25.851 -70.5164 70.9616 60.5657 PRESSAVG: 1778200 -17.0054 -46.232 41.5191 -46.232 -20.7135 58.3564 41.519 58.3565 12.1603 GPRESSAVG: 1778200 -16.2704 -43.5565 42.1556 -49.0101 -21.8061 59.2435 42.8873 57.491 12.7926 TIMING: 1778200 CPU: 5290.68, 0.00297043/step Wall: 5290.68, 0.00297043/step, 2.65837 hours remaining, 206.972656 MB of memory in use. ENERGY: 1778200 719.1484 2092.6995 1968.5973 112.2503 -206093.4712 17781.7123 0.0000 0.0000 34464.5157 -148954.5477 300.9872 -183419.0635 -148855.1162 300.0449 78.6332 109.6730 556716.2377 -8.5195 -8.4280 PRESSURE: 1778400 -311.828 -134.556 150.459 -134.555 56.6369 66.9336 150.461 66.9328 -236.493 GPRESSURE: 1778400 -273.58 -188.28 131.803 -156.437 73.7115 89.6941 196.284 54.4463 -193.349 PRESSAVG: 1778400 -31.1691 -29.6796 -14.6451 -29.6797 30.2564 1.56752 -14.6452 1.56753 -19.3025 GPRESSAVG: 1778400 -31.3745 -31.1925 -16.1982 -27.2783 29.8858 -0.663892 -14.5967 3.62999 -18.7294 TIMING: 1778400 CPU: 5291.28, 0.00297243/step Wall: 5291.28, 0.00297243/step, 2.66 hours remaining, 206.972656 MB of memory in use. ENERGY: 1778400 735.6120 2064.9677 1949.7363 104.4910 -205804.8615 17651.6077 0.0000 0.0000 34309.6311 -148988.8157 299.6345 -183298.4468 -148889.7921 300.6048 -163.8946 -131.0726 559794.0648 -6.7384 -6.7394 PRESSURE: 1778600 -156.741 51.3578 128.879 51.3589 -322.917 75.0851 128.879 75.0854 -309.572 GPRESSURE: 1778600 -157.542 89.4548 197.749 41.187 -324.728 117.311 108.577 87.9479 -197.135 PRESSAVG: 1778600 -41.87 16.9806 68.9145 16.9807 -5.58633 -20.7763 68.9144 -20.7763 18.8549 GPRESSAVG: 1778600 -41.093 17.5854 69.3867 14.1359 -5.13015 -20.0037 68.665 -20.3148 18.1747 TIMING: 1778600 CPU: 5291.87, 0.00297669/step Wall: 5291.87, 0.00297669/step, 2.66364 hours remaining, 206.972656 MB of memory in use. ENERGY: 1778600 776.5979 2104.0799 1963.0292 107.5145 -205804.8925 17543.8001 0.0000 0.0000 34134.4900 -149175.3811 298.1050 -183309.8710 -149078.8821 298.9102 -263.0766 -226.4685 558963.4398 -9.5338 -9.3495 PRESSURE: 1778800 -23.6313 21.3192 -99.2179 21.3194 -111.719 -59.2022 -99.2173 -59.2033 -177.158 GPRESSURE: 1778800 46.6695 66.4767 -77.5738 58.2395 -123.129 -28.7367 -62.4293 -94.7461 -141.666 PRESSAVG: 1778800 10.6652 41.0194 4.75142 41.0195 -51.3564 -21.1468 4.75137 -21.1469 43.1346 GPRESSAVG: 1778800 11.1486 40.4061 2.37279 44.3395 -51.6017 -21.8458 5.53345 -21.756 43.3408 TIMING: 1778800 CPU: 5292.46, 0.0029498/step Wall: 5292.46, 0.0029498/step, 2.63942 hours remaining, 206.972656 MB of memory in use. ENERGY: 1778800 781.2636 2069.2313 1927.8608 111.2535 -205964.6769 17625.9444 0.0000 0.0000 34232.1670 -149216.9563 298.9580 -183449.1233 -149114.6856 298.8550 -104.1692 -72.7086 557931.7028 0.8145 0.9626 PRESSURE: 1779000 5.09342 -71.2042 -51.2743 -71.2044 -57.7837 118.863 -51.2737 118.864 226.121 GPRESSURE: 1779000 21.6214 -106.065 -20.2299 -90.1471 -2.3815 185.173 -48.2068 186.263 247.511 PRESSAVG: 1779000 -15.3157 57.0408 -39.7309 57.0407 -8.01339 71.7052 -39.7309 71.7053 24.2449 GPRESSAVG: 1779000 -16.4503 55.863 -38.5724 55.6759 -7.14492 72.4076 -38.9179 72.8194 24.5321 TIMING: 1779000 CPU: 5293.05, 0.0029432/step Wall: 5293.05, 0.0029432/step, 2.63335 hours remaining, 206.972656 MB of memory in use. ENERGY: 1779000 739.0060 2080.6502 1950.6382 111.3771 -206016.1123 17644.3493 0.0000 0.0000 34214.3333 -149275.7583 298.8023 -183490.0916 -149182.7221 299.2551 57.8103 88.9169 556400.8535 0.3053 0.3123 PRESSURE: 1779200 -21.5982 85.1441 165.916 85.1434 -68.369 101.187 165.915 101.189 -36.6085 GPRESSURE: 1779200 8.09465 40.3994 101.755 102.909 -15.8501 180.353 147.5 166.692 -24.8832 PRESSAVG: 1779200 -17.6534 -13.5857 27.759 -13.5858 20.7985 41.8658 27.759 41.8658 -4.89159 GPRESSAVG: 1779200 -17.1931 -13.1872 28.2537 -13.4215 20.2583 39.9847 26.5178 43.6502 -5.04697 TIMING: 1779200 CPU: 5293.64, 0.0029527/step Wall: 5293.64, 0.0029527/step, 2.64168 hours remaining, 206.972656 MB of memory in use. ENERGY: 1779200 761.2177 2091.0869 1954.2162 103.1031 -206084.2495 17736.3989 0.0000 0.0000 34201.6736 -149236.5531 298.6917 -183438.2267 -149145.8630 298.9129 -42.1919 -10.8795 556869.4828 -0.5822 -0.6606 PRESSURE: 1779400 69.5792 -109.083 -55.5171 -109.081 87.5639 -220.411 -55.5168 -220.411 92.4622 GPRESSURE: 1779400 139.027 -108.977 -91.1792 -116.536 67.0254 -57.8899 28.5413 -246.694 129.124 PRESSAVG: 1779400 16.7054 26.4487 72.529 26.4487 -44.0258 5.9377 72.5289 5.93773 6.99859 GPRESSAVG: 1779400 18.2214 27.6373 73.9217 25.833 -45.3641 8.18229 71.6164 2.86568 6.90928 TIMING: 1779400 CPU: 5294.23, 0.00295602/step Wall: 5294.23, 0.00295602/step, 2.64449 hours remaining, 206.972656 MB of memory in use. ENERGY: 1779400 750.0839 2086.6295 1948.7726 126.7701 -206243.2601 17813.9592 0.0000 0.0000 34433.3933 -149083.6515 300.7154 -183517.0448 -148989.4532 299.4553 83.2018 111.7255 556351.7974 -6.7740 -6.7445 PRESSURE: 1779600 -28.4769 42.8943 -66.4311 42.8943 -39.7664 -51.4096 -66.4304 -51.4096 -63.2719 GPRESSURE: 1779600 36.8854 71.5255 -31.4664 90.2393 -44.9568 -58.7934 -159.845 -15.7087 -22.2651 PRESSAVG: 1779600 -8.60677 28.5593 59.5804 28.5593 41.5826 -110.24 59.5804 -110.24 43.951 GPRESSAVG: 1779600 -9.04123 25.6205 57.9211 31.2333 42.1597 -108.339 61.5337 -111.406 44.116 TIMING: 1779600 CPU: 5294.82, 0.00294048/step Wall: 5294.82, 0.00294048/step, 2.63042 hours remaining, 206.972656 MB of memory in use. ENERGY: 1779600 771.1606 2130.5073 1992.5726 115.2197 -206092.4869 17822.6550 0.0000 0.0000 34344.6183 -148915.7535 299.9401 -183260.3718 -148813.7063 300.5875 -43.8384 -10.1122 557423.8573 25.6423 25.7448 PRESSURE: 1779800 -14.6439 151.558 -49.5533 151.558 -68.3613 35.4384 -49.5536 35.4403 -39.6538 GPRESSURE: 1779800 9.7154 66.4739 -71.4586 213.164 -44.8258 107.67 -26.2118 -18.1021 0.0622928 PRESSAVG: 1779800 -9.8068 54.4664 -17.6123 54.4665 -11.9996 -41.5713 -17.6123 -41.5714 12.5053 GPRESSAVG: 1779800 -9.81767 56.6819 -17.3063 51.6459 -13.2763 -43.3109 -19.3922 -40.2905 13.667 TIMING: 1779800 CPU: 5295.41, 0.00293885/step Wall: 5295.41, 0.00293885/step, 2.6288 hours remaining, 206.972656 MB of memory in use. ENERGY: 1779800 740.7029 2115.2386 1976.5707 109.4078 -205753.6232 17658.2117 0.0000 0.0000 34230.0070 -148923.4844 298.9392 -183153.4914 -148829.4161 300.1496 -40.8863 -11.6827 558476.4962 -3.1004 -3.1423 PRESSURE: 1780000 -190.653 106.003 -87.2962 106.004 -64.1108 -63.6843 -87.2965 -63.6842 -227.844 GPRESSURE: 1780000 -216.829 75.7033 -170.032 111.004 -31.7448 -45.9111 -67.045 -37.5692 -138.491 PRESSAVG: 1780000 59.4137 27.8522 -36.3539 27.8521 2.00214 -76.9447 -36.3539 -76.9447 -62.5967 GPRESSAVG: 1780000 58.0391 28.1325 -34.6415 27.4116 3.15698 -78.0881 -36.9889 -77.6451 -62.6658 TIMING: 1780000 CPU: 5295.99, 0.00293056/step Wall: 5295.99, 0.00293056/step, 2.62123 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: 1780000 750.8216 2119.4766 1946.6105 112.3363 -206162.1981 17675.7760 0.0000 0.0000 34486.9469 -149070.2302 301.1831 -183557.1771 -148977.9812 300.1807 -160.8693 -129.0216 559886.1617 -0.3936 -0.4899 PRESSURE: 1780200 5.1552 82.9648 148.64 82.9648 -52.7023 10.8063 148.64 10.805 172.603 GPRESSURE: 1780200 37.4293 84.6043 207.833 83.9854 -9.21251 -56.2998 43.006 69.5332 191.917 PRESSAVG: 1780200 -25.7925 -18.0609 21.9841 -18.0609 -12.9393 -107.557 21.984 -107.557 38.8624 GPRESSAVG: 1780200 -23.7153 -18.4426 19.3218 -18.9375 -13.1601 -107.548 25.2381 -104.71 36.999 TIMING: 1780200 CPU: 5296.58, 0.00294094/step Wall: 5296.58, 0.00294094/step, 2.63034 hours remaining, 206.972656 MB of memory in use. ENERGY: 1780200 753.5286 2096.6090 1959.0948 133.3932 -206363.0353 17944.9222 0.0000 0.0000 34366.3075 -149109.1800 300.1295 -183475.4876 -149011.7591 300.0994 41.6852 73.3778 557689.4567 0.0435 0.0412 LDB: ============= START OF LOAD BALANCING ============== 5300.01 LDB: ============== END OF LOAD BALANCING =============== 5300.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5300.01 LDB: ============= START OF LOAD BALANCING ============== 5300.31 LDB: Largest compute 4847 load 0.024641 is 20.9% of average load 0.118000 LDB: Average compute 0.001730 is 1.5% of average load 0.118000 LDB: TIME 5300.31 LOAD: AVG 0.118 MAX 0.199461 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 5300.31 LOAD: AVG 0.118 MAX 0.199461 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: TIME 5300.31 LOAD: AVG 0.118 MAX 0.199461 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: ============== END OF LOAD BALANCING =============== 5300.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5300.32 PRESSURE: 1780400 -68.8113 -91.8588 -158.089 -91.8584 198.609 -86.6196 -158.089 -86.6189 -202.115 GPRESSURE: 1780400 -0.0291222 -44.188 -148.874 -142.314 196.073 -120.382 -165.562 -46.0949 -169.213 PRESSAVG: 1780400 -13.8263 -23.3718 43.504 -23.3718 -1.93819 -52.6881 43.504 -52.688 18.4977 GPRESSAVG: 1780400 -14.1147 -23.0989 44.1651 -21.7175 -2.23595 -53.1891 41.5327 -55.0619 19.2819 TIMING: 1780400 CPU: 5297.19, 0.0030298/step Wall: 5297.19, 0.0030298/step, 2.70965 hours remaining, 207.343750 MB of memory in use. ENERGY: 1780400 715.3963 2105.6410 1953.6256 107.5211 -206410.9804 17857.6154 0.0000 0.0000 34375.2580 -149295.9231 300.2077 -183671.1811 -149194.9675 299.8640 -24.1059 8.9436 557793.6500 0.9111 0.9771 PRESSURE: 1780600 -65.5592 16.9235 -135.702 16.9236 93.3434 83.7697 -135.701 83.7692 -206.832 GPRESSURE: 1780600 0.00148019 48.1968 -123.741 -43.0978 123.406 53.0387 -117.221 91.2287 -197.597 PRESSAVG: 1780600 -46.3931 -15.9137 -30.2085 -15.9138 90.461 41.2427 -30.2085 41.2427 -36.141 GPRESSAVG: 1780600 -47.0411 -14.1184 -30.7283 -16.678 91.1706 41.7744 -31.6777 41.2248 -36.4657 TIMING: 1780600 CPU: 5297.78, 0.0029714/step Wall: 5297.78, 0.0029714/step, 2.65725 hours remaining, 207.542969 MB of memory in use. ENERGY: 1780600 686.8920 2108.2132 1943.3277 121.3701 -206037.9674 17642.3442 0.0000 0.0000 34288.2077 -149247.6125 299.4474 -183535.8201 -149142.3757 299.2407 -59.6827 -24.7299 557772.4973 2.6423 2.5546 PRESSURE: 1780800 76.9285 189.823 -37.1219 189.823 -88.7382 -102.251 -37.1225 -102.25 -99.062 GPRESSURE: 1780800 63.7583 223.274 -24.7195 163.746 -65.9602 -24.1363 -70.0039 -166.862 -4.45282 PRESSAVG: 1780800 36.0505 -9.28033 -6.86917 -9.28033 21.749 29.5208 -6.86931 29.5208 -22.9307 GPRESSAVG: 1780800 35.921 -9.92996 -7.46899 -7.18309 21.9701 30.2268 -4.18515 28.0791 -22.9223 TIMING: 1780800 CPU: 5298.37, 0.0029552/step Wall: 5298.37, 0.0029552/step, 2.64261 hours remaining, 207.542969 MB of memory in use. ENERGY: 1780800 746.6419 2079.5445 1939.6382 109.8451 -206606.0786 18014.6697 0.0000 0.0000 34516.0319 -149199.7074 301.4371 -183715.7393 -149107.2929 299.5404 -36.9573 -2.2182 559295.9943 11.6229 11.6563 PRESSURE: 1781000 -139.518 78.526 246.181 78.5254 205.12 128.972 246.18 128.974 -63.0624 GPRESSURE: 1781000 -121.186 43.2641 179.202 127.496 271.336 161.197 268.037 176.594 -47.8373 PRESSAVG: 1781000 -14.17 64.1521 -28.6977 64.1522 -5.03992 29.5207 -28.6977 29.5207 -7.09298 GPRESSAVG: 1781000 -15.1805 63.0256 -28.9478 63.6214 -3.58019 26.3863 -28.6071 30.1255 -7.31776 TIMING: 1781000 CPU: 5298.96, 0.0029591/step Wall: 5298.96, 0.0029591/step, 2.64593 hours remaining, 207.542969 MB of memory in use. ENERGY: 1781000 754.9455 2024.3393 1960.6491 109.4999 -205942.4024 17781.6345 0.0000 0.0000 34230.9689 -149080.3651 298.9476 -183311.3340 -148987.4519 298.8558 0.8465 34.1040 559175.5239 -8.7676 -8.6928 PRESSURE: 1781200 155.807 90.11 78.73 90.1111 169.629 24.716 78.7306 24.7181 150.303 GPRESSURE: 1781200 140.521 31.2335 205.236 144.104 260.372 6.7521 39.5399 120.219 179.556 PRESSAVG: 1781200 -25.9608 -1.41199 49.9809 -1.41219 -1.85549 20.0365 49.9809 20.0365 14.8255 GPRESSAVG: 1781200 -25.5029 0.526739 51.074 -2.40866 -2.66375 22.9388 51.722 20.5498 15.262 TIMING: 1781200 CPU: 5299.56, 0.00299303/step Wall: 5299.56, 0.00299303/step, 2.67611 hours remaining, 207.542969 MB of memory in use. ENERGY: 1781200 722.1301 2009.1052 1949.0887 102.6354 -206438.9120 18237.5139 0.0000 0.0000 34411.4557 -149006.9829 300.5238 -183418.4386 -148906.2889 299.7281 158.5796 193.4831 558298.7020 -4.3303 -4.3016 PRESSURE: 1781400 -241.694 -116.872 84.9528 -116.873 -188.304 -138.787 84.9527 -138.787 198.848 GPRESSURE: 1781400 -180.77 -100.62 90.273 -131.611 -166.561 -160.655 -4.12852 -46.7642 217.016 PRESSAVG: 1781400 26.382 19.2491 -14.3019 19.2491 -37.5206 -12.8287 -14.302 -12.8285 45.2872 GPRESSAVG: 1781400 26.4186 17.98 -15.877 22.095 -37.6983 -12.3296 -16.6785 -11.2112 45.7173 TIMING: 1781400 CPU: 5300.16, 0.00298915/step Wall: 5300.16, 0.00298915/step, 2.67246 hours remaining, 207.542969 MB of memory in use. ENERGY: 1781400 754.6694 2071.0610 1926.7907 122.5707 -205966.3029 17719.1536 0.0000 0.0000 34312.3604 -149059.6971 299.6584 -183372.0575 -148971.8543 299.9512 -77.0499 -43.4385 556875.8890 11.3829 11.4792 PRESSURE: 1781600 171.938 -68.8677 1.91925 -68.867 114.741 -135.375 1.9182 -135.374 144.369 GPRESSURE: 1781600 181.239 -15.705 96.6683 -42.5748 150.543 -83.2651 -37.7059 -142.059 185.234 PRESSAVG: 1781600 -6.11646 33.6933 -30.078 33.6934 -19.6954 -15.3438 -30.078 -15.3437 -10.2242 GPRESSAVG: 1781600 -6.54047 33.7595 -26.534 30.4217 -19.4851 -16.2239 -31.7384 -14.8202 -10.14 TIMING: 1781600 CPU: 5300.75, 0.00296755/step Wall: 5300.75, 0.00296755/step, 2.65299 hours remaining, 207.667969 MB of memory in use. ENERGY: 1781600 732.5417 2088.4012 1934.1763 108.7307 -206521.0200 17940.9885 0.0000 0.0000 34558.0012 -149158.1805 301.8036 -183716.1817 -149057.2822 300.0601 143.6824 172.3385 556530.9889 -12.0120 -12.0552 PRESSURE: 1781800 3.43899 25.6434 -59.8963 25.6421 -57.4401 -36.225 -59.8954 -36.2248 -15.7459 GPRESSURE: 1781800 11.8303 42.3806 -15.7305 0.868663 -3.16755 -77.5041 -113.441 68.8738 22.8805 PRESSAVG: 1781800 -26.2767 11.9861 -15.8982 11.986 8.92879 -17.1104 -15.8982 -17.1105 31.8781 GPRESSAVG: 1781800 -26.5706 13.5943 -18.5419 11.6354 9.32212 -15.6407 -15.5987 -17.8869 31.8932 TIMING: 1781800 CPU: 5301.35, 0.00296766/step Wall: 5301.35, 0.00296766/step, 2.65292 hours remaining, 207.667969 MB of memory in use. ENERGY: 1781800 750.0440 2049.6412 1949.7385 117.1684 -206147.1498 17905.1923 0.0000 0.0000 34072.6944 -149302.6710 297.5653 -183375.3654 -149202.9851 300.0582 -23.2490 10.5144 558068.4214 4.8434 4.8816 PRESSURE: 1782000 -213.045 -37.0153 -77.0499 -37.0156 -38.7364 -20.0541 -77.0486 -20.0526 32.6952 GPRESSURE: 1782000 -154.747 -56.1672 -71.4669 -67.1724 -28.1937 -47.5596 -42.5343 41.9288 56.9568 PRESSAVG: 1782000 -31.4276 9.94261 26.1564 9.94261 39.395 -51.9631 26.1565 -51.9631 0.323754 GPRESSAVG: 1782000 -31.305 9.02834 28.8172 11.5489 38.4001 -52.3234 25.0313 -52.1533 0.723541 TIMING: 1782000 CPU: 5301.94, 0.00293807/step Wall: 5301.94, 0.00293807/step, 2.62631 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: 1782000 754.0317 2133.4125 1954.7245 128.0951 -205992.5810 17717.2418 0.0000 0.0000 34233.8707 -149071.2048 298.9729 -183305.0754 -148974.0145 299.4695 -73.0288 -41.9945 559039.5047 2.7637 2.6062 PRESSURE: 1782200 -140.188 -142.098 17.2716 -142.099 -116.337 -207.069 17.2711 -207.069 -60.1592 GPRESSURE: 1782200 -117.86 -83.4963 61.8402 -124.988 -129.01 -241.303 59.8811 -268.262 24.5732 PRESSAVG: 1782200 -12.3998 -31.6533 22.8336 -31.6533 -22.7901 -19.3197 22.8337 -19.3198 43.1072 GPRESSAVG: 1782200 -13.3675 -31.3636 23.2368 -33.8648 -21.4796 -19.5447 23.4846 -20.1123 42.3436 TIMING: 1782200 CPU: 5302.53, 0.00297048/step Wall: 5302.53, 0.00297048/step, 2.65511 hours remaining, 207.667969 MB of memory in use. ENERGY: 1782200 746.3575 2101.8335 1972.1629 118.7293 -205899.4187 17540.3928 0.0000 0.0000 34225.7665 -149194.1763 298.9021 -183419.9428 -149091.5603 299.0061 -105.5613 -74.0989 558216.5456 2.6391 2.4988 PRESSURE: 1782400 -121.733 108.161 143.522 108.161 24.4166 143.078 143.522 143.078 16.4664 GPRESSURE: 1782400 -95.4955 144.461 173.25 19.9454 16.4422 165.553 97.3264 194.581 98.8249 PRESSAVG: 1782400 39.3665 17.9388 3.54506 17.9389 5.1193 -36.234 3.54503 -36.2339 36.4718 GPRESSAVG: 1782400 40.7227 17.7639 2.11239 19.9967 3.48841 -36.3693 3.57911 -34.5489 35.7186 TIMING: 1782400 CPU: 5303.13, 0.00298328/step Wall: 5303.13, 0.00298328/step, 2.66639 hours remaining, 207.667969 MB of memory in use. ENERGY: 1782400 783.1035 2049.8158 1920.3632 107.9354 -206402.2926 17922.3945 0.0000 0.0000 34454.5020 -149164.1782 300.8997 -183618.6801 -149067.4271 299.8151 -26.9500 6.5905 558374.5925 26.9858 26.6433 PRESSURE: 1782600 -96.9153 -114.985 53.4226 -114.983 -97.5997 -5.13933 53.421 -5.13975 -78.0416 GPRESSURE: 1782600 -54.3383 -104.347 -76.3005 -165.66 -84.4165 -43.8622 143.637 62.4914 -49.4476 PRESSAVG: 1782600 2.09104 -6.77245 0.248864 -6.77241 7.49845 10.6164 0.248875 10.6162 32.77 GPRESSAVG: 1782600 1.19576 -6.52367 -0.14789 -8.69124 8.14064 10.4945 2.27599 8.73949 32.4011 TIMING: 1782600 CPU: 5303.72, 0.00296019/step Wall: 5303.72, 0.00296019/step, 2.64559 hours remaining, 207.667969 MB of memory in use. ENERGY: 1782600 756.7396 2126.8504 1920.1981 103.9656 -206260.4970 17825.1418 0.0000 0.0000 34226.3362 -149301.2651 298.9071 -183527.6014 -149201.9915 299.5404 -90.8522 -62.7341 558581.8790 14.1198 13.9125 PRESSURE: 1782800 19.9077 178.019 122.561 178.019 -145.743 197.924 122.562 197.924 -215.895 GPRESSURE: 1782800 82.5206 180.01 109.396 53.6944 -137.193 126.197 137.497 168.62 -193.447 PRESSAVG: 1782800 -26.68 -4.54444 19.4044 -4.54436 -22.3408 19.3591 19.4044 19.359 11.3796 GPRESSAVG: 1782800 -26.8474 -6.44767 20.9703 -2.19667 -22.1794 21.3323 18.8021 19.9998 11.1215 TIMING: 1782800 CPU: 5304.32, 0.00298627/step Wall: 5304.32, 0.00298627/step, 2.66873 hours remaining, 207.667969 MB of memory in use. ENERGY: 1782800 758.5742 2063.2248 1939.0092 118.8098 -206339.4576 17776.8574 0.0000 0.0000 34417.4263 -149265.5560 300.5759 -183682.9823 -149161.2583 299.2920 -113.9100 -82.7063 557455.3171 -12.5471 -12.6351 PRESSURE: 1783000 131.198 173.547 16.8282 173.547 37.0758 31.3247 16.8286 31.3248 212.817 GPRESSURE: 1783000 177.718 137.226 -6.10195 264.592 68.8912 -13.8309 -34.7429 71.0688 234.838 PRESSAVG: 1783000 -3.56692 35.1902 -0.280473 35.1901 15.7363 44.6863 -0.280579 44.6863 -28.5627 GPRESSAVG: 1783000 -3.65781 37.8488 -0.855445 33.9099 15.3562 42.0789 0.143826 46.5931 -28.0478 TIMING: 1783000 CPU: 5304.91, 0.00297354/step Wall: 5304.91, 0.00297354/step, 2.65719 hours remaining, 207.667969 MB of memory in use. ENERGY: 1783000 738.4262 2110.2574 1933.8231 123.0083 -206552.4586 17905.1953 0.0000 0.0000 34392.1942 -149349.5541 300.3556 -183741.7483 -149251.8548 299.2242 127.0301 160.4824 556131.1995 -5.4644 -5.4498 PRESSURE: 1783200 -46.4828 -70.6121 37.3923 -70.6108 19.2788 -102.029 37.3905 -102.029 63.2958 GPRESSURE: 1783200 -1.18434 -67.0269 50.5732 -7.82807 42.9276 -118.79 19.0262 -88.9888 86.0005 PRESSAVG: 1783200 -69.5244 27.3991 -4.92464 27.3991 84.0384 34.1015 -4.9248 34.1015 -50.6655 GPRESSAVG: 1783200 -68.651 25.4998 -4.46512 27.6916 82.9653 33.9989 -5.09506 32.2855 -50.0803 TIMING: 1783200 CPU: 5305.51, 0.0029867/step Wall: 5305.51, 0.0029867/step, 2.66878 hours remaining, 207.667969 MB of memory in use. ENERGY: 1783200 761.2600 2044.9504 1969.8084 121.2389 -206398.0184 17837.3311 0.0000 0.0000 34289.8545 -149373.5750 299.4618 -183663.4296 -149282.4833 298.8220 12.0306 42.5812 557888.8896 -12.0505 -11.9220 PRESSURE: 1783400 61.4682 51.044 129.943 51.0443 27.6556 2.90097 129.942 2.89949 -354.012 GPRESSURE: 1783400 103.892 -19.5451 129.588 122.343 47.1332 55.5347 165.571 79.7684 -334.663 PRESSAVG: 1783400 48.3252 -7.1113 -48.5874 -7.11137 -7.26612 24.1974 -48.5874 24.1975 0.104407 GPRESSAVG: 1783400 47.4799 -7.94374 -48.647 -6.99826 -6.20408 26.4807 -48.4375 22.7732 -0.556826 TIMING: 1783400 CPU: 5306.1, 0.00295842/step Wall: 5306.1, 0.00295842/step, 2.64335 hours remaining, 207.667969 MB of memory in use. ENERGY: 1783400 779.5867 2118.3071 1966.4828 111.4988 -205857.3821 17542.0281 0.0000 0.0000 34175.8918 -149163.5868 298.4666 -183339.4786 -149070.6347 299.0402 -88.2959 -61.2128 558412.4475 13.7212 13.5730 PRESSURE: 1783600 128.552 62.9378 -49.3866 62.9378 168.916 -179.659 -49.388 -179.66 120.607 GPRESSURE: 1783600 185.699 59.9411 -148.911 6.08634 145.613 -122.212 -22.2628 -251.412 197.224 PRESSAVG: 1783600 -2.27063 -38.2839 39.7739 -38.2839 32.2507 5.65695 39.774 5.65682 -31.4012 GPRESSAVG: 1783600 -1.80379 -36.2785 36.3893 -39.0458 32.2673 4.64389 41.1233 6.4937 -31.2633 TIMING: 1783600 CPU: 5306.69, 0.00295719/step Wall: 5306.69, 0.00295719/step, 2.64209 hours remaining, 207.667969 MB of memory in use. ENERGY: 1783600 743.2131 2111.7524 1972.5220 124.0015 -206543.0860 18007.5748 0.0000 0.0000 34438.6606 -149145.3618 300.7614 -183584.0223 -149050.0765 299.4558 139.3585 176.1785 556099.7518 -0.4737 -0.2666 PRESSURE: 1783800 -66.0871 -18.2804 14.3007 -18.2795 140.389 -2.42864 14.3002 -2.42723 127.543 GPRESSURE: 1783800 -47.5851 -27.1833 18.3686 -79.0843 155.533 -61.8584 110.582 -97.6819 180.558 PRESSAVG: 1783800 40.9668 -28.2017 53.9796 -28.2016 -5.75573 21.6709 53.9795 21.6707 17.4115 GPRESSAVG: 1783800 41.4048 -30.0628 54.9205 -26.914 -6.40725 20.7814 54.3184 22.1353 17.5638 TIMING: 1783800 CPU: 5307.28, 0.00295305/step Wall: 5307.28, 0.00295305/step, 2.63822 hours remaining, 207.667969 MB of memory in use. ENERGY: 1783800 776.9272 2118.8648 1955.2393 109.6181 -206206.0261 17928.5556 0.0000 0.0000 34267.1234 -149049.6978 299.2633 -183316.8211 -148947.9500 300.0104 67.2814 96.1685 558209.9108 17.5408 17.5204 PRESSURE: 1784000 2.87614 -13.0699 -101.246 -13.0697 -246.084 -33.4546 -101.245 -33.4538 -250.617 GPRESSURE: 1784000 32.2765 0.314234 -86.3114 26.749 -212.462 17.7346 -66.3097 -26.939 -216.012 PRESSAVG: 1784000 23.3662 -25.9843 -14.8333 -25.9843 -2.58062 1.4832 -14.8333 1.48323 0.0368297 GPRESSAVG: 1784000 21.5933 -24.0177 -11.2537 -27.7561 -0.329941 1.70274 -13.5437 0.508481 0.182723 TIMING: 1784000 CPU: 5307.87, 0.00296686/step Wall: 5307.87, 0.00296686/step, 2.6504 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: 1784000 773.1246 2053.2038 1952.4951 124.1597 -205817.4427 17481.9338 0.0000 0.0000 34210.6023 -149221.9234 298.7697 -183432.5257 -149118.5074 299.7675 -164.6082 -132.0657 557544.7528 6.9408 7.1487 PRESSURE: 1784200 75.3967 51.3217 180.487 51.3233 4.45731 -20.4159 180.487 -20.4151 58.0131 GPRESSURE: 1784200 107.036 34.6963 204.655 40.3697 17.2864 -99.7353 166.559 0.527239 112.958 PRESSAVG: 1784200 34.6781 2.14416 71.5381 2.14418 -61.6494 40.1515 71.538 40.1513 25.5649 GPRESSAVG: 1784200 35.6635 1.48727 68.0582 1.54093 -62.3771 40.1431 70.3292 39.3539 25.3055 TIMING: 1784200 CPU: 5308.47, 0.00299371/step Wall: 5308.47, 0.00299371/step, 2.67422 hours remaining, 207.667969 MB of memory in use. ENERGY: 1784200 738.0065 2092.6540 1954.3384 101.6354 -206066.4896 17754.9994 0.0000 0.0000 34212.2101 -149212.6459 298.7837 -183424.8559 -149116.2555 299.2081 45.9557 79.0936 558773.9085 -0.4688 -0.4694 LDB: ============= START OF LOAD BALANCING ============== 5311.9 LDB: ============== END OF LOAD BALANCING =============== 5311.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5311.9 LDB: ============= START OF LOAD BALANCING ============== 5312.2 LDB: Largest compute 4847 load 0.022150 is 18.8% of average load 0.118063 LDB: Average compute 0.001720 is 1.5% of average load 0.118063 LDB: TIME 5312.21 LOAD: AVG 0.118063 MAX 0.199217 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 5312.21 LOAD: AVG 0.118063 MAX 0.199217 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.684 MB LDB: TIME 5312.21 LOAD: AVG 0.118063 MAX 0.199217 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.684 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5312.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5312.21 PRESSURE: 1784400 -128.643 -19.0722 51.8032 -19.0725 -176.941 -68.2671 51.8026 -68.2671 -268.419 GPRESSURE: 1784400 -130.19 -8.09389 101.221 -12.1348 -120.152 -83.4863 67.208 39.2086 -220.84 PRESSAVG: 1784400 13.3312 -11.3249 15.9987 -11.3249 -33.5102 -41.1811 15.9987 -41.1812 -15.8378 GPRESSAVG: 1784400 13.2319 -8.52954 16.5767 -11.0704 -34.613 -41.2642 14.6982 -39.2508 -14.9949 TIMING: 1784400 CPU: 5309.08, 0.00304554/step Wall: 5309.08, 0.00304554/step, 2.72034 hours remaining, 206.691406 MB of memory in use. ENERGY: 1784400 767.2534 2076.6480 1959.5314 116.8359 -206190.4335 17795.3572 0.0000 0.0000 34273.7455 -149201.0622 299.3211 -183474.8078 -149105.0586 299.6924 -191.3345 -157.0608 558329.1808 -12.0056 -12.1253 PRESSURE: 1784600 -125.577 87.6706 63.4777 87.6704 137.273 152.608 63.4771 152.609 -133.492 GPRESSURE: 1784600 -124.274 103.307 85.9471 108.283 182.983 120.469 90.8624 209.354 -83.5455 PRESSAVG: 1784600 -31.4988 -15.4452 26.3159 -15.4452 -1.12856 -33.8621 26.3159 -33.8622 50.4588 GPRESSAVG: 1784600 -31.2331 -18.3903 29.4603 -11.8633 -1.78936 -32.7632 25.7978 -35.515 50.2656 TIMING: 1784600 CPU: 5309.68, 0.00298178/step Wall: 5309.68, 0.00298178/step, 2.66323 hours remaining, 206.691406 MB of memory in use. ENERGY: 1784600 800.2459 2087.6113 1940.7567 113.2794 -205870.0822 17753.3235 0.0000 0.0000 34219.5185 -148955.3470 298.8476 -183174.8655 -148861.4581 299.4062 -40.5989 -8.2790 558343.6463 5.9438 5.7477 PRESSURE: 1784800 -208.897 -156.459 55.9725 -156.459 -236.488 68.3619 55.9729 68.3616 -360.093 GPRESSURE: 1784800 -262.376 -117.088 10.6915 -116.769 -182.989 108.072 46.2017 45.3484 -268.532 PRESSAVG: 1784800 -44.4152 33.6571 -15.5389 33.657 81.3394 -18.0976 -15.5388 -18.0977 -15.6396 GPRESSAVG: 1784800 -44.9813 35.3536 -19.0761 30.45 82.5396 -18.0405 -12.3848 -17.6221 -15.9739 TIMING: 1784800 CPU: 5310.28, 0.00298154/step Wall: 5310.28, 0.00298154/step, 2.66284 hours remaining, 206.691406 MB of memory in use. ENERGY: 1784800 767.7887 2098.1922 1947.7734 104.6980 -205791.9035 17484.3607 0.0000 0.0000 34520.8927 -148868.1977 301.4795 -183389.0904 -148766.4130 299.7547 -268.4928 -237.9656 558558.4243 7.0949 7.1948 PRESSURE: 1785000 -195.931 -83.6189 14.1809 -83.618 -104.957 -149.184 14.1804 -149.184 -367.099 GPRESSURE: 1785000 -169.459 -88.4857 145.072 -108.115 -87.9414 -88.5678 -65.692 -176.632 -321.182 PRESSAVG: 1785000 26.0573 -6.69542 -24.8778 -6.69546 60.4401 -31.3739 -24.8778 -31.3738 -91.7769 GPRESSAVG: 1785000 27.1089 -6.22995 -22.1409 -6.3345 59.2403 -33.0477 -26.1547 -31.324 -91.951 TIMING: 1785000 CPU: 5310.87, 0.00295225/step Wall: 5310.87, 0.00295225/step, 2.63653 hours remaining, 206.691406 MB of memory in use. ENERGY: 1785000 738.5179 2117.7186 1974.8807 119.3747 -205697.3624 17558.2075 0.0000 0.0000 34244.6097 -148944.0533 299.0667 -183188.6629 -148850.4559 300.3638 -222.6624 -192.8606 560784.8166 -1.7598 -1.8673 PRESSURE: 1785200 -122.546 -89.9258 -18.6379 -89.9252 -362.277 85.9017 -18.6376 85.9008 -365.499 GPRESSURE: 1785200 -106.204 -6.53194 -16.3277 -28.0788 -358.94 124.848 -85.8248 74.2933 -291.501 PRESSAVG: 1785200 -49.7696 -11.4158 -13.8721 -11.4158 43.1331 -72.5896 -13.8722 -72.5895 -36.4953 GPRESSAVG: 1785200 -51.3721 -13.8621 -14.8875 -10.3407 42.3082 -71.0722 -16.3245 -72.0695 -34.4147 TIMING: 1785200 CPU: 5311.46, 0.00296687/step Wall: 5311.46, 0.00296687/step, 2.64941 hours remaining, 206.691406 MB of memory in use. ENERGY: 1785200 761.4797 2102.0088 1960.2688 112.4061 -205603.6193 17431.7902 0.0000 0.0000 34331.4755 -148904.1904 299.8253 -183235.6659 -148799.5821 300.0498 -283.4409 -252.2151 561663.3405 -14.3773 -14.4929 PRESSURE: 1785400 -138.487 147.423 -52.1418 147.423 -92.3273 -34.9196 -52.1409 -34.9189 35.89 GPRESSURE: 1785400 -77.5707 223.671 -34.4734 69.097 -97.7669 -18.5659 -106.713 -13.85 69.2377 PRESSAVG: 1785400 58.003 26.8228 39.9531 26.8228 -61.2197 -27.4545 39.9531 -27.4543 9.62646 GPRESSAVG: 1785400 60.5458 29.7269 40.7623 26.3202 -60.5421 -27.5393 40.4676 -28.9443 6.76534 TIMING: 1785400 CPU: 5312.05, 0.00296949/step Wall: 5312.05, 0.00296949/step, 2.65159 hours remaining, 206.691406 MB of memory in use. ENERGY: 1785400 754.7639 2101.6187 1957.0592 113.6910 -205801.7313 17721.0600 0.0000 0.0000 34316.0705 -148837.4680 299.6908 -183153.5385 -148742.5221 299.5230 -64.9749 -35.3667 560068.2493 2.1366 2.2564 PRESSURE: 1785600 87.254 139.271 18.9017 139.271 -89.9059 66.1632 18.9017 66.1632 -129.211 GPRESSURE: 1785600 109.175 202.212 40.5425 148.92 23.2471 99.2228 140.399 60.3231 -159.13 PRESSAVG: 1785600 -11.5242 18.2377 -21.8645 18.2376 20.8249 15.6822 -21.8645 15.6821 1.99885 GPRESSAVG: 1785600 -14.7965 18.4647 -20.9003 18.9324 22.1288 15.4941 -22.1043 13.9623 4.20881 TIMING: 1785600 CPU: 5312.65, 0.00296994/step Wall: 5312.65, 0.00296994/step, 2.65183 hours remaining, 206.691406 MB of memory in use. ENERGY: 1785600 795.4140 2146.9537 1934.8644 107.6022 -205926.5470 17779.4237 0.0000 0.0000 34342.3685 -148819.9205 299.9204 -183162.2890 -148721.1695 300.2772 -43.9543 -8.9029 558322.1896 3.7665 3.8471 PRESSURE: 1785800 68.3225 -131.912 -55.2815 -131.911 142.815 86.7508 -55.281 86.751 98.1516 GPRESSURE: 1785800 143.212 -159.122 -35.718 -93.2599 208.951 119.155 -87.2518 47.9905 62.5536 PRESSAVG: 1785800 -52.6088 35.7404 -46.8454 35.7405 29.3214 11.5366 -46.8453 11.5366 7.37857 GPRESSAVG: 1785800 -50.6044 34.3283 -47.7112 37.4201 27.4274 12.7895 -45.4368 12.6185 7.18567 TIMING: 1785800 CPU: 5313.24, 0.00295396/step Wall: 5313.24, 0.00295396/step, 2.63739 hours remaining, 206.691406 MB of memory in use. ENERGY: 1785800 729.6996 2106.4671 1965.7520 114.1462 -205965.1893 17942.7395 0.0000 0.0000 34353.7357 -148752.6493 300.0197 -183106.3849 -148661.1789 300.1515 103.0965 138.2387 556776.4776 -5.3029 -5.3305 PRESSURE: 1786000 -281.587 -4.42804 152.1 -4.42794 -190.515 8.25474 152.101 8.25484 100.676 GPRESSURE: 1786000 -258.161 -66.8335 142.22 5.30247 -177.746 14.0362 86.4958 -35.7234 152.717 PRESSAVG: 1786000 -44.8333 18.815 -39.567 18.815 11.1217 -34.5907 -39.567 -34.5905 45.88 GPRESSAVG: 1786000 -44.9628 16.4428 -40.9529 17.8906 10.906 -35.1961 -40.2625 -33.4014 45.9567 TIMING: 1786000 CPU: 5313.83, 0.00296821/step Wall: 5313.83, 0.00296821/step, 2.64995 hours remaining, 206.691406 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: 1786000 785.7840 2085.1510 1962.6604 110.9079 -205906.8892 17669.5743 0.0000 0.0000 34382.0352 -148910.7764 300.2669 -183292.8116 -148813.5081 300.9649 -123.8086 -94.3965 559146.4975 4.0561 3.9666 PRESSURE: 1786200 -40.3764 35.8735 -80.1779 35.8732 -220.996 51.4528 -80.1782 51.4538 -209.109 GPRESSURE: 1786200 -31.1156 16.9569 -75.2569 19.0244 -218.059 -0.749205 -92.1193 71.9855 -129.361 PRESSAVG: 1786200 -7.63653 38.7733 8.79596 38.7733 -57.6353 -33.404 8.79593 -33.404 76.9095 GPRESSAVG: 1786200 -8.27048 39.6455 9.32989 37.0952 -57.2706 -34.0984 9.4599 -33.7565 77.3312 TIMING: 1786200 CPU: 5314.42, 0.00296218/step Wall: 5314.42, 0.00296218/step, 2.64441 hours remaining, 206.691406 MB of memory in use. ENERGY: 1786200 744.8038 2085.6370 1955.5169 103.6301 -205736.0084 17505.2944 0.0000 0.0000 34379.9547 -148961.1716 300.2487 -183341.1262 -148861.4458 300.1186 -156.8273 -126.1785 558860.3291 3.8792 3.9300 PRESSURE: 1786400 216.874 130.147 -160.995 130.146 145.465 193.244 -160.995 193.243 403.613 GPRESSURE: 1786400 236.373 138.437 -132.18 163.47 177.031 203.877 -163.36 143.87 440.543 PRESSAVG: 1786400 -34.2233 -19.6673 -51.8657 -19.6673 -24.3033 7.18201 -51.8657 7.18205 29.8403 GPRESSAVG: 1786400 -33.3568 -19.0228 -53.1892 -17.6797 -23.4641 6.70169 -50.7182 7.21335 28.3249 TIMING: 1786400 CPU: 5315.01, 0.00295174/step Wall: 5315.01, 0.00295174/step, 2.63492 hours remaining, 206.691406 MB of memory in use. ENERGY: 1786400 760.9887 2151.7311 1934.4584 117.0836 -206202.6444 18029.5142 0.0000 0.0000 34291.9490 -148916.9195 299.4801 -183208.8684 -148818.8220 299.9620 255.3173 284.6490 556865.9631 -9.5621 -9.4987 PRESSURE: 1786600 189.088 107.616 73.4028 107.615 -83.9268 70.5075 73.4017 70.5065 -176.775 GPRESSURE: 1786600 161.846 91.7248 69.9463 110.797 -40.0286 48.3857 62.1726 68.2604 -112.743 PRESSAVG: 1786600 -15.3418 41.6599 -21.4965 41.6599 -14.9022 -5.91344 -21.4966 -5.91352 72.9945 GPRESSAVG: 1786600 -15.5108 44.1986 -18.3062 39.0641 -16.3073 -5.30401 -22.5414 -5.90383 74.4851 TIMING: 1786600 CPU: 5315.61, 0.00295968/step Wall: 5315.61, 0.00295968/step, 2.64184 hours remaining, 206.691406 MB of memory in use. ENERGY: 1786600 785.0268 2146.4974 1915.4167 109.5460 -206098.2532 17860.7037 0.0000 0.0000 34400.3335 -148880.7292 300.4267 -183281.0626 -148782.8887 300.9258 -23.8712 3.0248 557399.3636 14.2502 14.2223 PRESSURE: 1786800 -19.5581 29.8583 84.8437 29.8579 129.4 -93.9249 84.8445 -93.9246 -275.666 GPRESSURE: 1786800 -4.50631 53.2405 134.583 68.6831 198.291 -66.2761 31.543 -76.216 -258.404 PRESSAVG: 1786800 43.4679 -21.5751 2.8625 -21.5751 -52.0018 40.6899 2.86246 40.6899 1.70251 GPRESSAVG: 1786800 42.3829 -24.2004 1.82454 -22.3657 -51.3258 42.352 1.86304 40.2014 1.75928 TIMING: 1786800 CPU: 5316.2, 0.00297043/step Wall: 5316.2, 0.00297043/step, 2.65128 hours remaining, 206.691406 MB of memory in use. ENERGY: 1786800 763.2213 2106.2466 1959.3565 115.7517 -205713.6333 17600.3457 0.0000 0.0000 34285.4716 -148883.2399 299.4236 -183168.7116 -148793.9653 300.4942 -55.2749 -21.5398 556950.7050 -2.2771 -2.3945 PRESSURE: 1787000 -217.964 31.0323 41.3395 31.0309 -197.419 309.679 41.3409 309.679 -116.834 GPRESSURE: 1787000 -223.825 -48.6372 -4.6217 24.9723 -155.106 364.77 89.5241 246.018 -60.5654 PRESSAVG: 1787000 28.2384 -22.8472 -37.4149 -22.8471 14.5528 32.4642 -37.4149 32.4641 -25.2989 GPRESSAVG: 1787000 28.0367 -22.6126 -37.5882 -21.1504 14.7685 29.2597 -36.7036 33.769 -24.7815 TIMING: 1787000 CPU: 5316.8, 0.00297465/step Wall: 5316.8, 0.00297465/step, 2.65487 hours remaining, 206.691406 MB of memory in use. ENERGY: 1787000 746.9551 2103.8828 1936.9195 130.6139 -206024.9100 17690.8795 0.0000 0.0000 34348.4922 -149067.1671 299.9739 -183415.6592 -148963.7279 300.3378 -177.4056 -146.4990 559444.5524 5.8308 6.0079 PRESSURE: 1787200 -130.054 99.5761 24.6978 99.5754 -259.981 61.2815 24.6979 61.2817 -92.947 GPRESSURE: 1787200 -63.6831 99.4584 17.6642 95.4928 -246.183 212.003 53.4899 40.0435 -56.1997 PRESSAVG: 1787200 6.15741 3.19144 35.9371 3.19145 -31.5168 38.6228 35.9372 38.6228 -5.69776 GPRESSAVG: 1787200 6.50943 4.36442 35.4243 0.840739 -31.7456 40.3067 35.8451 38.3478 -5.92582 TIMING: 1787200 CPU: 5317.39, 0.00297985/step Wall: 5317.39, 0.00297985/step, 2.65935 hours remaining, 206.691406 MB of memory in use. ENERGY: 1787200 709.7933 2117.7355 1943.7114 117.0928 -205938.6377 17553.2473 0.0000 0.0000 34362.1204 -149134.9371 300.0929 -183497.0574 -149044.4464 299.4776 -160.9942 -122.0220 558340.2379 -10.3524 -10.3873 PRESSURE: 1787400 126.119 -61.0585 27.1456 -61.058 -245.017 35.0895 27.1459 35.0899 -352.831 GPRESSURE: 1787400 131.882 -69.4977 37.6332 -29.8187 -239.138 122.98 -11.8098 -38.892 -263.925 PRESSAVG: 1787400 0.674771 8.44645 -32.0946 8.44652 -8.07567 -7.09025 -32.0946 -7.09036 31.5131 GPRESSAVG: 1787400 0.621686 7.94314 -30.6823 10.2127 -7.92493 -5.74762 -33.3568 -8.87363 30.9352 TIMING: 1787400 CPU: 5317.98, 0.00296262/step Wall: 5317.98, 0.00296262/step, 2.64381 hours remaining, 206.691406 MB of memory in use. ENERGY: 1787400 731.3904 2064.0673 1930.5095 120.0802 -205883.8953 17631.6161 0.0000 0.0000 34193.8880 -149212.3439 298.6237 -183406.2319 -149119.1392 299.9907 -157.2434 -123.7271 559013.0090 8.0374 7.8773 PRESSURE: 1787600 -133.896 196.545 20.9256 196.546 -5.22238 48.6099 20.9251 48.61 -169.137 GPRESSURE: 1787600 -144.133 116.282 49.534 183.085 37.7097 60.2855 -50.8559 0.719044 -106.319 PRESSAVG: 1787600 -2.00852 -1.48048 -11.2377 -1.48052 5.48767 -33.0983 -11.2378 -33.0982 -14.2549 GPRESSAVG: 1787600 -1.44523 -1.22635 -13.067 -1.61022 6.18792 -34.4181 -10.8318 -31.0367 -15.1667 TIMING: 1787600 CPU: 5318.58, 0.00296508/step Wall: 5318.58, 0.00296508/step, 2.64584 hours remaining, 206.691406 MB of memory in use. ENERGY: 1787600 764.6011 2027.2860 1940.1550 114.2510 -206291.3371 17772.7021 0.0000 0.0000 34358.2840 -149314.0580 300.0594 -183672.3420 -149216.7845 299.1453 -102.7516 -70.9142 557192.5621 -3.5919 -3.4747 PRESSURE: 1787800 -276.233 -136.434 -83.2462 -136.434 -315.979 159.669 -83.2462 159.67 -218.292 GPRESSURE: 1787800 -269.942 -124.102 -58.3497 -112.529 -268.783 243.899 -162.451 161.44 -177.354 PRESSAVG: 1787800 -64.3514 -10.6579 -15.7331 -10.6579 4.33579 24.7946 -15.7331 24.7945 35.6025 GPRESSAVG: 1787800 -63.6217 -10.6708 -14.3752 -10.2474 3.86486 25.4586 -15.1377 21.8492 36.0707 TIMING: 1787800 CPU: 5319.17, 0.00299083/step Wall: 5319.17, 0.00299083/step, 2.66865 hours remaining, 206.691406 MB of memory in use. ENERGY: 1787800 735.2474 2013.9590 1950.0884 117.8250 -205696.4048 17294.1925 0.0000 0.0000 34355.3743 -149229.7182 300.0340 -183585.0926 -149121.9039 299.3638 -270.1682 -238.6928 558253.3235 -8.1377 -7.8954 PRESSURE: 1788000 204.024 34.7757 156.64 34.7765 100.356 51.0903 156.64 51.0909 36.6219 GPRESSURE: 1788000 179.272 -38.8048 189.003 25.3367 125.836 127.593 249.056 -5.25479 123.605 PRESSAVG: 1788000 9.04618 -59.1671 -38.015 -59.167 36.2124 -3.927 -38.015 -3.92706 -25.0918 GPRESSAVG: 1788000 7.4107 -61.8341 -41.2532 -59.2451 36.661 -3.14971 -37.24 -3.8703 -24.4599 TIMING: 1788000 CPU: 5319.77, 0.00296542/step Wall: 5319.77, 0.00296542/step, 2.64581 hours remaining, 206.691406 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: 1788000 747.1220 2109.5915 1969.4960 112.6763 -206214.3573 18030.3384 0.0000 0.0000 34199.6905 -149045.4425 298.6744 -183245.1330 -148954.3598 299.3320 113.6672 142.9043 557750.4111 6.7223 6.5373 PRESSURE: 1788200 -274.196 79.0084 49.1661 79.009 84.8789 13.0143 49.1667 13.0142 -203.383 GPRESSURE: 1788200 -212.341 12.7639 -11.9869 84.0396 65.3153 35.8237 6.95651 -23.0266 -152.417 PRESSAVG: 1788200 66.929 4.40321 -35.6835 4.40323 -34.9565 1.40292 -35.6834 1.40282 -26.81 GPRESSAVG: 1788200 67.4904 5.96082 -31.1379 5.36645 -35.701 -0.677117 -37.5748 2.59747 -27.2802 TIMING: 1788200 CPU: 5320.36, 0.00298454/step Wall: 5320.36, 0.00298454/step, 2.66271 hours remaining, 206.691406 MB of memory in use. ENERGY: 1788200 765.7450 2112.1162 1974.7390 117.5111 -205905.5900 17666.9184 0.0000 0.0000 34038.0674 -149230.4930 297.2629 -183268.5604 -149135.2729 299.3562 -130.9003 -99.8141 556890.4165 1.7209 1.5030 LDB: ============= START OF LOAD BALANCING ============== 5323.79 LDB: ============== END OF LOAD BALANCING =============== 5323.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5323.79 LDB: ============= START OF LOAD BALANCING ============== 5324.09 LDB: Largest compute 4847 load 0.022784 is 19.3% of average load 0.117963 LDB: Average compute 0.001726 is 1.5% of average load 0.117963 LDB: TIME 5324.09 LOAD: AVG 0.117963 MAX 0.19594 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.117 MB LDB: TIME 5324.09 LOAD: AVG 0.117963 MAX 0.19594 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.191 MB LDB: TIME 5324.09 LOAD: AVG 0.117963 MAX 0.19594 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5324.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5324.1 PRESSURE: 1788400 -142.785 152.572 -88.9422 152.57 -200.53 18.5 -88.9428 18.4991 -155.035 GPRESSURE: 1788400 -106.63 132.676 -98.2585 147.93 -150.931 51.7398 -109.656 -37.2978 -142.349 PRESSAVG: 1788400 -31.5345 46.6485 3.23758 46.6484 21.9439 16.877 3.23759 16.8768 3.79949 GPRESSAVG: 1788400 -31.5979 48.2453 0.497808 45.4541 22.2348 19.8817 4.04524 14.9112 3.39804 TIMING: 1788400 CPU: 5320.97, 0.00301632/step Wall: 5320.97, 0.00301632/step, 2.69089 hours remaining, 206.496094 MB of memory in use. ENERGY: 1788400 773.6214 2068.7374 1939.5762 116.7908 -206129.3700 17730.8336 0.0000 0.0000 34163.7124 -149336.0982 298.3602 -183499.8106 -149243.7724 298.7922 -166.1167 -133.3034 557753.1026 -1.9304 -1.9883 PRESSURE: 1788600 -285.032 13.7826 -16.2263 13.7833 -81.514 -75.1173 -16.224 -75.117 -482.43 GPRESSURE: 1788600 -266.814 -3.89447 -59.7329 -90.1005 -18.8626 -171.96 -5.85129 -5.57047 -459.438 PRESSAVG: 1788600 28.488 -1.20718 -15.8456 -1.20717 -9.24176 19.6295 -15.8455 19.6295 -47.1141 GPRESSAVG: 1788600 28.4864 -2.05375 -14.9289 0.0736476 -8.25808 18.6605 -16.7769 23.1165 -47.7001 TIMING: 1788600 CPU: 5321.56, 0.00296883/step Wall: 5321.56, 0.00296883/step, 2.64836 hours remaining, 206.699219 MB of memory in use. ENERGY: 1788600 767.3821 2069.8380 1924.9910 113.6800 -206322.3778 17692.4407 0.0000 0.0000 34331.4238 -149422.6223 299.8249 -183754.0460 -149329.6682 298.9551 -282.9920 -248.3714 559567.7546 -9.2893 -9.1573 PRESSURE: 1788800 -148.827 -84.5648 73.2206 -84.5652 -114.019 -174.082 73.221 -174.084 -10.0748 GPRESSURE: 1788800 -126.161 -34.8175 120.859 -51.5866 -62.7832 -108.472 22.6437 -205.768 10.4542 PRESSAVG: 1788800 -28.7144 28.6554 -9.3587 28.6554 69.5275 -2.29385 -9.3587 -2.29381 -17.5956 GPRESSAVG: 1788800 -28.6206 27.9742 -8.24233 28.9695 68.4067 -2.70138 -9.84997 -3.17732 -16.5935 TIMING: 1788800 CPU: 5322.16, 0.00297322/step Wall: 5322.16, 0.00297322/step, 2.65211 hours remaining, 206.699219 MB of memory in use. ENERGY: 1788800 745.1134 2108.9645 1959.8067 124.3149 -206540.7075 17874.2960 0.0000 0.0000 34245.0659 -149483.1460 299.0707 -183728.2119 -149385.8349 298.8157 -90.9739 -59.4966 557622.0467 7.7392 7.7309 PRESSURE: 1789000 -165.267 77.9076 -19.4471 77.9083 12.6587 -30.7093 -19.4482 -30.7085 87.5569 GPRESSURE: 1789000 -111.148 15.3152 -72.8183 114.486 45.3317 7.00057 17.42 -70.528 107.025 PRESSAVG: 1789000 -25.3484 50.3078 16.3011 50.3077 -15.7931 -35.0226 16.3011 -35.0225 20.8368 GPRESSAVG: 1789000 -24.9296 52.1298 13.9837 48.4088 -16.5252 -34.3709 18.6224 -35.014 21.2059 TIMING: 1789000 CPU: 5322.75, 0.00298876/step Wall: 5322.75, 0.00298876/step, 2.66581 hours remaining, 206.699219 MB of memory in use. ENERGY: 1789000 748.9473 2092.6990 1955.3386 114.6743 -206708.3439 18078.3436 0.0000 0.0000 34154.5870 -149563.7541 298.2805 -183718.3410 -149467.1185 297.9832 -21.6840 13.7361 558590.7413 -6.7682 -6.7496 PRESSURE: 1789200 145.86 205.749 34.2545 205.749 117.706 -110.585 34.2546 -110.584 65.6844 GPRESSURE: 1789200 222.284 195.709 41.6654 176.57 130.927 -93.2972 12.9512 -85.1131 65.7698 PRESSAVG: 1789200 -16.6308 71.7752 24.1778 71.7752 -8.05024 20.9758 24.1779 20.9758 8.28099 GPRESSAVG: 1789200 -16.8137 69.7474 23.8821 73.3289 -7.29499 20.1169 24.0247 19.0058 7.78463 TIMING: 1789200 CPU: 5323.35, 0.00299684/step Wall: 5323.35, 0.00299684/step, 2.67285 hours remaining, 206.699219 MB of memory in use. ENERGY: 1789200 800.7603 2099.5408 1946.7745 119.9506 -206840.3431 18221.3854 0.0000 0.0000 34100.2048 -149551.7267 297.8056 -183651.9315 -149459.7972 298.5735 109.7502 139.6603 555925.6966 -5.4667 -5.4414 PRESSURE: 1789400 49.1628 52.8765 -12.0621 52.8778 -144.841 50.7424 -12.0619 50.7416 -248.172 GPRESSURE: 1789400 106.112 16.2515 -29.7921 74.3293 -143.421 30.194 47.928 17.3133 -210.024 PRESSAVG: 1789400 40.5942 9.35644 30.7193 9.35641 0.654967 -1.48722 30.7194 -1.48722 -19.1403 GPRESSAVG: 1789400 41.2151 9.34918 30.2833 9.93172 -0.540848 -2.12172 30.5948 -0.584219 -18.5834 TIMING: 1789400 CPU: 5323.94, 0.00295558/step Wall: 5323.94, 0.00295558/step, 2.63589 hours remaining, 206.699219 MB of memory in use. ENERGY: 1789400 738.0458 2023.5771 1953.4288 101.8013 -206770.8093 18009.7078 0.0000 0.0000 34335.1131 -149609.1354 299.8571 -183944.2484 -149510.3888 298.8624 -114.6167 -82.4441 557401.6979 7.3696 7.3636 PRESSURE: 1789600 203.612 -38.6701 16.7789 -38.6693 114.608 252.206 16.7787 252.206 -132.259 GPRESSURE: 1789600 201.158 -58.8131 -21.6047 33.7602 134.757 171.939 -3.42871 287.313 -55.2696 PRESSAVG: 1789600 34.8856 11.4574 92.9151 11.4574 -44.6711 10.0058 92.9151 10.0057 -26.8693 GPRESSAVG: 1789600 33.8719 14.7788 92.6945 10.9176 -43.7356 12.709 94.5131 9.10855 -27.1235 TIMING: 1789600 CPU: 5324.53, 0.00293479/step Wall: 5324.53, 0.00293479/step, 2.61718 hours remaining, 206.699219 MB of memory in use. ENERGY: 1789600 753.0184 2099.1928 1960.2677 117.5149 -206999.8235 18109.4133 0.0000 0.0000 34265.6290 -149694.7873 299.2503 -183960.4163 -149587.5229 298.1345 61.9869 93.5482 556953.7472 -12.2183 -12.3290 PRESSURE: 1789800 -116.457 -106.162 34.1807 -106.163 -132.099 83.3287 34.1795 83.3289 -126.098 GPRESSURE: 1789800 -94.3155 -185.541 22.8237 -137.233 -82.556 47.9849 -66.6723 65.8063 -100.107 PRESSAVG: 1789800 53.5977 -55.3182 12.4196 -55.3184 -24.3559 -5.01307 12.4196 -5.01305 -47.248 GPRESSAVG: 1789800 52.7131 -55.2668 12.2823 -57.1011 -23.1567 -7.27382 13.1452 -4.23449 -47.9776 TIMING: 1789800 CPU: 5325.12, 0.00294224/step Wall: 5325.12, 0.00294224/step, 2.62366 hours remaining, 206.699219 MB of memory in use. ENERGY: 1789800 782.0276 2066.6715 1936.5059 111.0845 -206387.2142 17716.3997 0.0000 0.0000 34223.6667 -149550.8582 298.8838 -183774.5250 -149455.3806 297.3027 -124.8845 -92.3262 557259.2673 -6.0021 -6.1404 PRESSURE: 1790000 -224.69 -16.6577 122.799 -16.6588 -206.403 -150.435 122.798 -150.434 139.045 GPRESSURE: 1790000 -185.145 17.6011 62.3766 -48.7484 -160.514 -122.027 125.659 -61.2467 154.555 PRESSAVG: 1790000 -26.9178 8.12641 58.1539 8.12634 1.47603 -16.3478 58.1541 -16.3477 26.836 GPRESSAVG: 1790000 -26.1833 6.37939 59.51 10.0047 0.365849 -16.6465 54.1866 -12.8865 27.3823 TIMING: 1790000 CPU: 5325.71, 0.00295827/step Wall: 5325.71, 0.00295827/step, 2.63779 hours remaining, 206.699219 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: 1790000 779.7963 2054.6074 1933.2073 100.4344 -206612.1104 17867.8431 0.0000 0.0000 34263.7509 -149612.4711 299.2339 -183876.2220 -149522.1429 298.2298 -97.3495 -63.7013 557528.8018 0.4647 0.5216 PRESSURE: 1790200 -57.2437 70.5554 72.1342 70.5552 -0.429823 21.6661 72.1349 21.6657 -21.6063 GPRESSURE: 1790200 17.0818 51.0714 71.9512 88.7109 30.0299 -24.5533 53.4842 30.9528 -27.3338 PRESSAVG: 1790200 -51.2024 -46.2554 28.1499 -46.2555 -5.39658 12.5393 28.1499 12.5394 86.6021 GPRESSAVG: 1790200 -49.446 -45.6278 28.2857 -48.2862 -6.59439 12.0815 30.7066 12.4546 86.4157 TIMING: 1790200 CPU: 5326.31, 0.00298595/step Wall: 5326.31, 0.00298595/step, 2.66231 hours remaining, 206.699219 MB of memory in use. ENERGY: 1790200 754.4629 2094.8275 1946.9891 100.3383 -206377.2971 17856.0618 0.0000 0.0000 34057.6084 -149567.0091 297.4336 -183624.6175 -149473.4241 298.2390 -26.4266 6.5927 557942.7602 10.0011 10.1251 PRESSURE: 1790400 -200.875 44.9879 92.4331 44.988 -226.156 29.7583 92.4327 29.7588 -406.416 GPRESSURE: 1790400 -174.78 0.973319 120.479 3.96347 -188.837 14.3845 80.3602 26.9733 -384.397 PRESSAVG: 1790400 35.6776 -23.0547 60.3343 -23.0546 -77.6827 -91.1802 60.3343 -91.1801 47.223 GPRESSAVG: 1790400 34.2296 -21.5825 61.4978 -23.4531 -76.0621 -89.1749 59.6059 -94.5664 47.4382 TIMING: 1790400 CPU: 5326.9, 0.00296507/step Wall: 5326.9, 0.00296507/step, 2.64353 hours remaining, 206.699219 MB of memory in use. ENERGY: 1790400 752.7679 2088.0039 1951.7816 109.8600 -206108.2491 17370.4689 0.0000 0.0000 34349.8603 -149485.5064 299.9859 -183835.3667 -149381.8707 297.8496 -277.8159 -249.3381 559082.9389 1.7393 1.8686 PRESSURE: 1790600 -146.923 52.046 50.4263 52.0467 -253.08 19.5032 50.4268 19.5045 -283.845 GPRESSURE: 1790600 -152.464 162.956 72.2504 -79.0854 -194.855 4.92582 52.3299 2.59514 -245.496 PRESSAVG: 1790600 5.34328 30.8715 29.6205 30.8716 -25.9725 -25.2267 29.6204 -25.2266 -15.5376 GPRESSAVG: 1790600 6.35538 29.6608 27.5678 31.5582 -25.4911 -26.5218 31.1199 -26.98 -16.1955 TIMING: 1790600 CPU: 5327.5, 0.00297526/step Wall: 5327.5, 0.00297526/step, 2.65244 hours remaining, 206.699219 MB of memory in use. ENERGY: 1790600 775.6761 2096.0139 1942.4146 124.8389 -206181.0155 17597.9218 0.0000 0.0000 34153.8417 -149490.3085 298.2740 -183644.1503 -149400.5760 298.6116 -227.9496 -197.6052 558407.2669 -12.0556 -11.7771 PRESSURE: 1790800 -61.2407 -33.0736 -196.031 -33.073 254.512 -45.7631 -196.031 -45.7641 -53.8976 GPRESSURE: 1790800 -24.8289 -76.8851 -205.171 61.7433 288.425 -122.605 -175.07 -20.4857 -31.9808 PRESSAVG: 1790800 1.93806 2.92505 -14.1088 2.92502 4.29459 26.1426 -14.1088 26.1426 27.1331 GPRESSAVG: 1790800 1.52654 1.3359 -12.584 3.94897 3.51519 26.041 -15.6562 28.8311 28.8914 TIMING: 1790800 CPU: 5328.09, 0.00297234/step Wall: 5328.09, 0.00297234/step, 2.64968 hours remaining, 206.699219 MB of memory in use. ENERGY: 1790800 741.1487 2124.2025 1994.5686 106.6770 -206508.8571 17910.6884 0.0000 0.0000 34193.1056 -149438.4663 298.6169 -183631.5719 -149348.0636 298.1368 46.4580 77.2052 557292.8675 11.1219 11.3111 PRESSURE: 1791000 193.067 118.553 212.888 118.555 91.7309 79.1269 212.888 79.1296 96.1977 GPRESSURE: 1791000 233.069 76.2603 284.748 116.174 144.447 53.2437 185.285 39.2745 108.193 PRESSAVG: 1791000 68.8345 57.8686 12.6422 57.8686 20.7456 -32.362 12.642 -32.3621 -39.9462 GPRESSAVG: 1791000 69.1886 58.9876 12.0001 56.9945 21.7911 -33.0256 13.3484 -30.6276 -40.5736 TIMING: 1791000 CPU: 5328.69, 0.00297916/step Wall: 5328.69, 0.00297916/step, 2.65559 hours remaining, 206.699219 MB of memory in use. ENERGY: 1791000 739.2818 2067.1913 1970.4470 113.4388 -206870.5612 17979.6806 0.0000 0.0000 34403.0322 -149597.4896 300.4502 -184000.5218 -149501.2593 298.3622 126.9984 161.9030 556002.0947 16.5446 16.8020 PRESSURE: 1791200 -75.6124 -28.3861 29.0579 -28.386 86.7657 57.3313 29.0569 57.3299 232.06 GPRESSURE: 1791200 -66.3557 20.1755 25.8015 -7.82642 107.603 17.748 34.9176 88.7276 289.959 PRESSAVG: 1791200 31.0555 -18.6267 2.87156 -18.6266 -66.8598 51.4944 2.87149 51.4943 56.3095 GPRESSAVG: 1791200 30.7159 -18.0401 0.650212 -18.8228 -67.002 50.4479 5.69674 51.0669 57.2982 TIMING: 1791200 CPU: 5329.28, 0.00295977/step Wall: 5329.28, 0.00295977/step, 2.63814 hours remaining, 206.699219 MB of memory in use. ENERGY: 1791200 745.0978 2042.3214 1963.9893 103.8240 -206859.0639 18070.4687 0.0000 0.0000 34266.6115 -149666.7512 299.2588 -183933.3627 -149572.5052 297.9601 81.0710 110.4019 556407.5671 6.8351 7.0041 PRESSURE: 1791400 -159.084 -50.064 -165 -50.0642 -170.084 -136.177 -165 -136.175 -220.51 GPRESSURE: 1791400 -114.565 -14.6573 -116.58 18.7456 -174.889 -24.0312 -284.457 -161.556 -169.15 PRESSAVG: 1791400 -16.2937 -74.6089 40.8275 -74.6089 3.38594 -13.8221 40.8275 -13.822 38.5871 GPRESSAVG: 1791400 -16.2095 -75.0556 44.02 -73.2866 3.92272 -13.1257 36.9581 -14.6614 37.7684 TIMING: 1791400 CPU: 5329.87, 0.00297701/step Wall: 5329.87, 0.00297701/step, 2.65334 hours remaining, 206.699219 MB of memory in use. ENERGY: 1791400 734.0599 2107.6649 1941.3975 113.1273 -206418.4353 17789.8400 0.0000 0.0000 34058.3582 -149673.9875 297.4401 -183732.3457 -149570.8346 297.6614 -183.2260 -152.8678 558986.1408 8.5598 8.4939 PRESSURE: 1791600 -142.098 -26.6316 -96.6632 -26.632 -80.9738 5.49145 -96.663 5.49131 -5.3185 GPRESSURE: 1791600 -78.1897 -30.4171 -172.805 -90.45 -108.181 59.3252 -77.6181 -53.9303 48.9838 PRESSAVG: 1791600 -14.5004 -24.5233 -0.320402 -24.5233 -25.0648 8.52005 -0.320392 8.52006 28.9817 GPRESSAVG: 1791600 -12.9766 -26.3228 -1.60827 -23.9141 -27.1967 9.44953 0.285159 8.62408 29.2199 TIMING: 1791600 CPU: 5330.46, 0.00294026/step Wall: 5330.46, 0.00294026/step, 2.62043 hours remaining, 206.699219 MB of memory in use. ENERGY: 1791600 769.2854 2078.1883 1933.7786 109.5089 -206189.5387 17844.8847 0.0000 0.0000 33815.8335 -149638.0594 295.3221 -183453.8929 -149538.8896 297.1582 -76.1300 -45.7955 559272.7562 -3.5278 -3.6512 PRESSURE: 1791800 -57.9255 -3.1629 -6.663 -3.16284 -208.125 163.686 -6.66201 163.686 -319.003 GPRESSURE: 1791800 -46.5972 25.9541 10.202 -21.88 -153.248 172.387 -9.31898 137.508 -293.688 PRESSAVG: 1791800 3.55549 13.4529 6.85267 13.4529 -74.6537 31.6745 6.85276 31.6744 94.856 GPRESSAVG: 1791800 1.6797 13.9492 6.529 12.5325 -72.1756 31.5445 8.39966 31.0043 93.8401 TIMING: 1791800 CPU: 5331.05, 0.00296032/step Wall: 5331.05, 0.00296032/step, 2.63814 hours remaining, 206.699219 MB of memory in use. ENERGY: 1791800 735.9022 2164.4235 1933.9086 106.8684 -205982.0934 17462.0961 0.0000 0.0000 34153.8604 -149425.0343 298.2742 -183578.8946 -149327.3317 298.4518 -195.0178 -164.5110 557846.0028 7.9192 7.7814 PRESSURE: 1792000 -218.869 86.2278 110.927 86.227 -208.427 14.9148 110.927 14.9147 -29.5847 GPRESSURE: 1792000 -229.971 141.649 90.332 119.725 -163.509 10.8122 55.3887 -25.5379 45.5739 PRESSAVG: 1792000 -23.8918 4.40051 36.7265 4.40052 -36.0166 41.1866 36.7263 41.1866 39.0375 GPRESSAVG: 1792000 -22.9343 5.2273 38.0223 3.43213 -37.27 40.2326 33.8722 40.5728 39.6454 TIMING: 1792000 CPU: 5331.65, 0.00297001/step Wall: 5331.65, 0.00297001/step, 2.64661 hours remaining, 206.699219 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: 1792000 790.9010 2128.1115 1944.1128 114.8910 -205913.3532 17538.8164 0.0000 0.0000 34113.4384 -149283.0820 297.9211 -183396.5204 -149190.9453 299.5345 -152.2933 -115.9685 555924.8144 -6.9570 -6.8530 PRESSURE: 1792200 50.8866 130.938 -131.109 130.939 -216.007 81.7665 -131.109 81.7675 -139.531 GPRESSURE: 1792200 52.8716 222.692 -132.161 62.027 -154.733 99.6499 -120.469 -13.0695 -94.5851 PRESSAVG: 1792200 16.7236 71.9275 20.257 71.9274 3.65333 112.471 20.257 112.471 -42.2862 GPRESSAVG: 1792200 16.3736 72.4177 19.3733 73.1121 3.0856 112.437 20.3856 114.264 -41.5166 TIMING: 1792200 CPU: 5332.24, 0.00297246/step Wall: 5332.24, 0.00297246/step, 2.64863 hours remaining, 206.699219 MB of memory in use. ENERGY: 1792200 762.6686 2106.2421 1940.1722 114.7345 -206212.0626 17666.1656 0.0000 0.0000 34203.3098 -149418.7699 298.7060 -183622.0797 -149320.5426 298.5893 -101.5505 -65.4821 557361.3250 -7.3031 -7.3525 LDB: ============= START OF LOAD BALANCING ============== 5335.67 LDB: ============== END OF LOAD BALANCING =============== 5335.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5335.67 LDB: ============= START OF LOAD BALANCING ============== 5335.97 LDB: Largest compute 4847 load 0.022101 is 18.7% of average load 0.117998 LDB: Average compute 0.001728 is 1.5% of average load 0.117998 LDB: TIME 5335.97 LOAD: AVG 0.117998 MAX 0.197745 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.691 MB LDB: TIME 5335.97 LOAD: AVG 0.117998 MAX 0.197745 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.691 MB LDB: TIME 5335.97 LOAD: AVG 0.117998 MAX 0.197745 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.691 MB LDB: ============== END OF LOAD BALANCING =============== 5335.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5335.98 PRESSURE: 1792400 250.709 -6.36238 -149.419 -6.36216 -34.331 -125.956 -149.417 -125.956 -64.36 GPRESSURE: 1792400 253.736 -45.4586 -292.26 -9.88401 33.0973 -69.6763 -98.9813 -147.346 -27.571 PRESSAVG: 1792400 20.755 -12.8721 -50.8572 -12.8721 -17.2354 5.78076 -50.8572 5.78076 8.71192 GPRESSAVG: 1792400 19.8775 -13.9511 -52.1701 -12.5967 -15.2392 7.62026 -48.7255 4.10882 7.69692 TIMING: 1792400 CPU: 5332.85, 0.0030254/step Wall: 5332.85, 0.0030254/step, 2.69563 hours remaining, 207.199219 MB of memory in use. ENERGY: 1792400 768.7806 2091.8126 1935.5101 108.9989 -206715.7169 18131.7282 0.0000 0.0000 34151.8408 -149527.0457 298.2565 -183678.8865 -149435.8675 298.8620 50.6725 86.4209 557279.2095 4.0772 4.1117 PRESSURE: 1792600 -186.242 10.3808 -29.6981 10.3815 147.638 -3.93108 -29.6981 -3.93064 47.6149 GPRESSURE: 1792600 -133.037 -88.944 -71.4751 11.5914 188.161 -27.9095 25.4983 16.8867 47.0194 PRESSAVG: 1792600 4.00051 1.22345 -5.34824 1.22346 -29.6498 -8.52911 -5.34818 -8.52908 -3.69367 GPRESSAVG: 1792600 4.2512 1.27118 -3.31695 0.593827 -29.6814 -8.27326 -6.01948 -8.5571 -4.44595 TIMING: 1792600 CPU: 5333.44, 0.00297728/step Wall: 5333.44, 0.00297728/step, 2.65259 hours remaining, 207.402344 MB of memory in use. ENERGY: 1792600 799.3489 2181.9151 1960.6053 123.9633 -206687.6800 18049.3863 0.0000 0.0000 34132.0590 -149440.4021 298.0838 -183572.4611 -149348.0060 298.5590 3.0038 34.0475 557078.9493 -9.7810 -9.9587 PRESSURE: 1792800 -247.704 -63.7786 -58.8201 -63.7791 -188.869 3.3998 -58.8187 3.40078 -26.9827 GPRESSURE: 1792800 -234.536 1.24481 -42.7703 -103.818 -86.2915 -22.1904 -102.12 36.4686 -45.8946 PRESSAVG: 1792800 -72.2489 13.4107 27.6802 13.4106 27.9996 40.263 27.6803 40.263 4.76226 GPRESSAVG: 1792800 -70.8969 15.5246 26.1215 13.1833 26.7013 38.9234 27.1905 42.6201 4.12011 TIMING: 1792800 CPU: 5334.04, 0.00299505/step Wall: 5334.04, 0.00299505/step, 2.66826 hours remaining, 207.402344 MB of memory in use. ENERGY: 1792800 787.7648 2114.5465 1949.6362 109.8015 -206171.3454 17635.3762 0.0000 0.0000 34087.1088 -149487.1114 297.6912 -183574.2202 -149393.8808 298.5928 -154.5186 -122.2407 556917.8899 -13.1623 -13.3585 PRESSURE: 1793000 42.0163 137.769 -40.1388 137.769 -310.917 70.8854 -40.1389 70.886 -33.7424 GPRESSURE: 1793000 29.1589 55.1069 -66.2862 193.203 -257.306 143.604 41.0791 46.7037 31.0454 PRESSAVG: 1793000 -31.6529 39.5983 -1.18421 39.5984 -0.931076 45.2908 -1.1842 45.2907 34.176 GPRESSAVG: 1793000 -31.8557 38.8778 -1.2982 39.4025 -1.24627 47.1405 1.5796 42.5432 34.8106 TIMING: 1793000 CPU: 5334.64, 0.00299277/step Wall: 5334.64, 0.00299277/step, 2.66605 hours remaining, 207.402344 MB of memory in use. ENERGY: 1793000 751.6720 2045.4018 1919.8675 115.5906 -206142.0099 17726.1708 0.0000 0.0000 34116.8480 -149466.4592 297.9509 -183583.3072 -149367.8105 298.4635 -100.8809 -65.7005 557811.8189 0.5307 0.5695 PRESSURE: 1793200 -48.4818 118.253 93.5467 118.252 -153.07 -37.7034 93.546 -37.7031 -107.846 GPRESSURE: 1793200 -8.68618 223.563 173.47 74.6244 -100.737 -71.7063 67.9996 6.17291 -96.2094 PRESSAVG: 1793200 76.6467 25.3859 -14.6274 25.3859 -7.99051 44.1047 -14.6273 44.1046 6.21298 GPRESSAVG: 1793200 76.9158 23.757 -15.1996 26.9458 -8.69345 40.5759 -14.4495 45.3876 6.51801 TIMING: 1793200 CPU: 5335.24, 0.00298797/step Wall: 5335.24, 0.00298797/step, 2.66162 hours remaining, 207.402344 MB of memory in use. ENERGY: 1793200 753.9494 2079.3458 1953.5947 115.6988 -206060.8034 17634.0504 0.0000 0.0000 34148.6420 -149375.5223 298.2286 -183524.1643 -149279.0938 298.7566 -103.1324 -68.5443 557648.8131 24.9564 24.9135 PRESSURE: 1793400 -456.465 -34.5221 147.17 -34.5227 -40.0037 187.707 147.168 187.707 -148.896 GPRESSURE: 1793400 -391.281 -37.7153 151.609 -60.0801 -3.00086 211.178 200.368 32.5367 -163.721 PRESSAVG: 1793400 -60.4082 23.8817 40.5843 23.8816 74.2308 14.5091 40.5844 14.509 4.84084 GPRESSAVG: 1793400 -59.5128 26.1488 41.833 23.3052 73.8561 16.4224 39.092 16.0934 3.86504 TIMING: 1793400 CPU: 5335.83, 0.00297222/step Wall: 5335.83, 0.00297222/step, 2.64742 hours remaining, 207.402344 MB of memory in use. ENERGY: 1793400 753.4474 2086.0720 1915.1034 109.9286 -206178.6134 17568.5563 0.0000 0.0000 34385.9457 -149359.5601 300.3010 -183745.5058 -149257.1693 298.8077 -215.1216 -186.0010 557547.6257 6.2211 6.0694 PRESSURE: 1793600 -127.523 -23.452 61.6092 -23.4532 -427.426 -78.3066 61.6085 -78.3071 -45.8836 GPRESSURE: 1793600 -153.976 -56.9262 66.5122 -11.9434 -378.662 -82.5015 55.1528 -52.8794 31.1248 PRESSAVG: 1793600 -38.3738 14.0511 0.531908 14.0511 23.7713 -25.2521 0.531909 -25.2522 -19.998 GPRESSAVG: 1793600 -39.0399 13.8992 -0.982152 14.1924 24.0233 -23.7616 1.71385 -28.2962 -20.0118 TIMING: 1793600 CPU: 5336.42, 0.00295584/step Wall: 5336.42, 0.00295584/step, 2.63267 hours remaining, 207.402344 MB of memory in use. ENERGY: 1793600 725.8835 2061.2726 1961.8331 109.4312 -205786.6664 17454.4119 0.0000 0.0000 34174.6484 -149299.1857 298.4557 -183473.8342 -149200.2699 298.8711 -200.2778 -167.1708 557329.9439 -11.5335 -11.6761 PRESSURE: 1793800 -298.423 97.8561 -3.81794 97.8566 -170.882 177.395 -3.81903 177.395 51.1954 GPRESSURE: 1793800 -279.998 -10.0272 10.2088 165.506 -128.14 106.633 -84.9751 154.217 85.7988 PRESSAVG: 1793800 -69.8279 54.9739 19.513 54.9739 -17.7105 -10.7426 19.513 -10.7427 26.2482 GPRESSAVG: 1793800 -71.0207 55.8481 19.1681 54.386 -16.3307 -12.7582 17.9418 -8.72285 25.7892 TIMING: 1793800 CPU: 5337.02, 0.0029689/step Wall: 5337.02, 0.0029689/step, 2.64414 hours remaining, 207.402344 MB of memory in use. ENERGY: 1793800 786.2364 2048.8622 1943.7679 111.2835 -205849.3314 17466.0973 0.0000 0.0000 34309.0288 -149184.0554 299.6293 -183493.0842 -149084.4779 298.9725 -139.3698 -107.4465 556783.3085 -20.4301 -20.5208 PRESSURE: 1794000 13.1348 53.0254 33.3049 53.0252 180.1 -210.526 33.3049 -210.527 45.0509 GPRESSURE: 1794000 34.7288 -0.259139 -63.9834 9.17419 169.57 -169.901 114.974 -216.004 129.927 PRESSAVG: 1794000 47.594 3.64775 25.5173 3.64775 -56.9686 -0.868854 25.5173 -0.868827 -11.4297 GPRESSAVG: 1794000 47.9709 3.55051 27.7177 3.06272 -57.2763 -2.20917 25.7038 0.568669 -11.4605 TIMING: 1794000 CPU: 5337.61, 0.00297761/step Wall: 5337.61, 0.00297761/step, 2.65173 hours remaining, 207.402344 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: 1794000 740.3289 2088.1716 1925.2919 107.7660 -206204.9592 17773.6217 0.0000 0.0000 34225.2332 -149344.5458 298.8975 -183569.7790 -149248.7601 298.1776 79.4286 111.4086 556794.1692 -6.9348 -6.9219 PRESSURE: 1794200 13.2498 -3.97599 24.9983 -3.97603 35.9719 119.117 24.9989 119.117 -156.256 GPRESSURE: 1794200 35.8256 11.737 29.7396 37.1684 65.6712 176.513 6.14523 97.9949 -117 PRESSAVG: 1794200 25.724 -16.089 50.0163 -16.0889 100.279 -1.94739 50.0162 -1.94737 -75.0036 GPRESSAVG: 1794200 25.8851 -17.5952 51.0369 -15.1419 101.042 -0.0150525 48.4935 -3.17515 -75.3724 TIMING: 1794200 CPU: 5338.21, 0.00297042/step Wall: 5338.21, 0.00297042/step, 2.64516 hours remaining, 207.402344 MB of memory in use. ENERGY: 1794200 750.5872 2069.4000 1968.5640 108.8325 -206220.5851 17784.5823 0.0000 0.0000 34283.1039 -149255.5152 299.4029 -183538.6191 -149156.3657 298.9462 -35.6782 -5.1676 558531.1243 16.9998 17.1850 PRESSURE: 1794400 -76.0643 56.0972 127.589 56.0978 -460.915 26.5067 127.589 26.5081 187.11 GPRESSURE: 1794400 -65.1917 34.7931 98.4666 20.8398 -424.82 59.4323 102.269 44.9476 242.207 PRESSAVG: 1794400 -81.5822 -10.426 -3.82973 -10.4261 -6.34116 30.1078 -3.82976 30.1079 50.0793 GPRESSAVG: 1794400 -81.5664 -10.1883 -8.50259 -12.2507 -6.69554 29.7505 -1.07569 29.4754 51.0895 TIMING: 1794400 CPU: 5338.8, 0.00297876/step Wall: 5338.8, 0.00297876/step, 2.65242 hours remaining, 207.402344 MB of memory in use. ENERGY: 1794400 735.7460 2111.1488 1953.4902 114.7242 -206089.2558 17681.5474 0.0000 0.0000 34245.3741 -149247.2250 299.0734 -183492.5992 -149151.4242 299.2241 -116.6233 -82.6018 557944.7309 -12.6147 -12.3908 PRESSURE: 1794600 -24.7797 56.2701 8.86951 56.2696 -45.7916 -24.0458 8.86898 -24.045 -5.84377 GPRESSURE: 1794600 -19.5658 6.42551 8.32387 79.5139 -40.8529 0.538561 25.3872 74.862 78.3864 PRESSAVG: 1794600 -2.6727 -15.2811 -3.6154 -15.2811 -28.48 24.7729 -3.61549 24.7728 53.4296 GPRESSAVG: 1794600 -2.35867 -16.4273 -0.607657 -11.6718 -28.7491 24.8881 -4.95586 24.8136 53.5554 TIMING: 1794600 CPU: 5339.4, 0.00296061/step Wall: 5339.4, 0.00296061/step, 2.6361 hours remaining, 207.402344 MB of memory in use. ENERGY: 1794600 765.4466 2091.7807 1929.1574 116.2394 -206248.6054 17990.2663 0.0000 0.0000 34247.3911 -149108.3239 299.0910 -183355.7150 -149011.3989 299.0177 -25.4717 5.9892 558773.3059 7.4256 7.4825 PRESSURE: 1794800 183 113.259 -35.4488 113.258 -178.544 -11.9688 -35.4505 -11.9681 61.9995 GPRESSURE: 1794800 183.922 55.9871 -155.105 164.567 -132.222 32.1941 24.3604 -21.2166 103.953 PRESSAVG: 1794800 24.2424 10.7584 32.5617 10.7584 -91.0871 -16.3906 32.5616 -16.3905 77.4592 GPRESSAVG: 1794800 24.7935 11.2261 33.3842 6.98264 -90.844 -17.7409 33.4909 -17.5755 76.481 TIMING: 1794800 CPU: 5339.99, 0.00297738/step Wall: 5339.99, 0.00297738/step, 2.65086 hours remaining, 207.402344 MB of memory in use. ENERGY: 1794800 753.4490 2160.0444 1927.1771 109.8256 -206291.4885 18105.4064 0.0000 0.0000 34350.9636 -148884.6224 299.9955 -183235.5859 -148792.5553 299.4866 22.1518 51.8844 558186.0206 3.5382 3.4768 PRESSURE: 1795000 -74.5177 -90.5583 157.04 -90.5591 174.016 102.403 157.04 102.403 -12.5947 GPRESSURE: 1795000 -30.7799 -65.7262 55.4226 -101.528 235.714 201.858 145.673 11.811 -33.8511 PRESSAVG: 1795000 -43.8673 66.4531 43.7993 66.4532 46.4436 16.9674 43.7994 16.9674 -9.97141 GPRESSAVG: 1795000 -44.5383 68.1261 43.0168 68.9311 46.1412 19.5737 41.8797 16.1019 -8.46352 TIMING: 1795000 CPU: 5340.59, 0.00297541/step Wall: 5340.59, 0.00297541/step, 2.64894 hours remaining, 207.402344 MB of memory in use. ENERGY: 1795000 773.9641 2140.2371 1963.5325 124.0080 -206166.7686 17891.6187 0.0000 0.0000 34410.2093 -148863.1989 300.5129 -183273.4083 -148768.4377 300.5522 28.9678 57.0277 557638.6157 -2.4651 -2.2869 PRESSURE: 1795200 -91.664 -35.9044 -61.7196 -35.9043 145.725 -19.8711 -61.7184 -19.8699 -198.159 GPRESSURE: 1795200 -36.9354 -28.7368 -57.7808 -80.8622 184.988 3.08197 -31.9674 20.9538 -192.459 PRESSAVG: 1795200 -41.5299 20.2715 8.98727 20.2716 59.9094 -7.98565 8.98716 -7.98562 14.9275 GPRESSAVG: 1795200 -41.9436 18.2194 8.29437 19.6167 60.4936 -8.21649 11.745 -6.93355 14.5633 TIMING: 1795200 CPU: 5341.18, 0.00296348/step Wall: 5341.18, 0.00296348/step, 2.63816 hours remaining, 207.402344 MB of memory in use. ENERGY: 1795200 750.6364 2111.2042 1969.4569 108.4186 -206006.3900 17674.4501 0.0000 0.0000 34588.4989 -148803.7249 302.0700 -183392.2239 -148701.7787 300.5945 -48.0325 -14.8020 559362.1910 11.1023 11.0378 PRESSURE: 1795400 14.6412 -71.8174 -97.564 -71.8171 -99.6081 39.6188 -97.5638 39.6185 -46.2913 GPRESSURE: 1795400 -3.91177 -88.7735 -80.5444 -13.2438 -38.9505 109.859 -107.2 47.0908 16.8583 PRESSAVG: 1795400 -1.33482 -67.5776 -51.2597 -67.5775 26.0305 -40.9748 -51.2597 -40.9749 -29.3021 GPRESSAVG: 1795400 -0.822896 -66.4314 -51.6252 -67.0903 26.4925 -42.0225 -53.7268 -40.8538 -30.1135 TIMING: 1795400 CPU: 5341.77, 0.00296499/step Wall: 5341.77, 0.00296499/step, 2.63933 hours remaining, 207.402344 MB of memory in use. ENERGY: 1795400 768.3818 2108.0191 1991.5512 103.2346 -205740.3929 17743.4167 0.0000 0.0000 34329.4385 -148696.3509 299.8075 -183025.7894 -148610.6772 300.2566 -43.7528 -8.6680 559001.5149 -1.5355 -1.4813 PRESSURE: 1795600 70.4205 21.7056 -12.8975 21.7056 47.7614 -36.5289 -12.8996 -36.5292 131.135 GPRESSURE: 1795600 105.267 49.4099 -16.1786 29.7997 53.3873 -53.1832 -62.6403 -87.8391 202.504 PRESSAVG: 1795600 -22.1248 3.03222 3.57742 3.03219 22.5536 -21.4056 3.57733 -21.4056 -22.7177 GPRESSAVG: 1795600 -21.4206 2.41324 3.04589 2.24081 21.4737 -21.4306 3.38514 -21.3812 -22.2906 TIMING: 1795600 CPU: 5342.36, 0.00296109/step Wall: 5342.36, 0.00296109/step, 2.6357 hours remaining, 207.402344 MB of memory in use. ENERGY: 1795600 709.0273 2083.8331 1960.2033 108.7042 -205880.0747 17880.1300 0.0000 0.0000 34305.4298 -148832.7469 299.5979 -183138.1767 -148737.3698 300.5101 83.1057 120.3861 558839.2822 -7.4296 -7.4125 PRESSURE: 1795800 -29.3783 47.5034 -66.2503 47.5037 58.965 -69.7716 -66.2503 -69.7717 91.1596 GPRESSURE: 1795800 -25.6369 -27.0544 -49.4244 141.344 125.234 -36.2911 -7.04827 -77.4621 126.884 PRESSAVG: 1795800 32.6872 23.2048 -34.956 23.2047 -31.7094 -31.5362 -34.956 -31.5364 -7.6728 GPRESSAVG: 1795800 31.4064 23.1733 -33.3847 25.0517 -30.9628 -33.4528 -34.9511 -30.1101 -7.52859 TIMING: 1795800 CPU: 5342.96, 0.00297514/step Wall: 5342.96, 0.00297514/step, 2.64804 hours remaining, 207.402344 MB of memory in use. ENERGY: 1795800 728.8313 2119.8869 1954.6729 132.4814 -206033.8054 17798.9385 0.0000 0.0000 34497.7113 -148801.2830 301.2771 -183298.9943 -148701.1138 300.4205 40.2488 75.4936 558725.5629 -2.2317 -2.3617 PRESSURE: 1796000 94.9556 109.845 71.6677 109.846 -41.0609 -133.557 71.6679 -133.557 -6.5627 GPRESSURE: 1796000 130.469 105.611 72.902 84.5757 -14.5642 -98.6788 35.5976 -88.5484 45.9591 PRESSAVG: 1796000 -1.16613 1.1513 3.18077 1.15134 8.515 45.3451 3.18078 45.3452 -26.3847 GPRESSAVG: 1796000 -0.0732332 2.01193 4.2684 -0.317531 8.61974 46.3207 4.19704 44.2296 -26.937 TIMING: 1796000 CPU: 5343.56, 0.00298964/step Wall: 5343.56, 0.00298964/step, 2.66078 hours remaining, 207.402344 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: 1796000 721.9274 2161.3703 1975.2866 120.5763 -206249.0265 17809.8411 0.0000 0.0000 34451.5582 -149008.4666 300.8740 -183460.0248 -148906.6712 301.0680 15.7774 53.9548 557623.1702 -6.3453 -6.1302 PRESSURE: 1796200 -138.031 -76.1313 -108.787 -76.1313 172.584 111.134 -108.787 111.134 178.355 GPRESSURE: 1796200 -101.086 -116.738 -108.728 8.86004 228.689 163.162 -15.515 53.2502 173.079 PRESSAVG: 1796200 42.081 -15.7171 -26.8367 -15.717 29.8316 21.4634 -26.8368 21.4633 -56.3711 GPRESSAVG: 1796200 41.3541 -13.8391 -27.7582 -17.4138 29.9458 22.3455 -27.8649 19.3487 -56.0257 TIMING: 1796200 CPU: 5344.15, 0.00298715/step Wall: 5344.15, 0.00298715/step, 2.6584 hours remaining, 207.402344 MB of memory in use. ENERGY: 1796200 731.8872 2082.9866 1973.8652 122.5965 -206620.5013 18083.6025 0.0000 0.0000 34492.9924 -149132.5708 301.2359 -183625.5632 -149032.1175 300.1041 70.9695 100.2275 556935.9376 5.1805 5.0914 LDB: ============= START OF LOAD BALANCING ============== 5347.58 LDB: ============== END OF LOAD BALANCING =============== 5347.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5347.58 LDB: ============= START OF LOAD BALANCING ============== 5347.88 LDB: Largest compute 4847 load 0.023184 is 19.6% of average load 0.118008 LDB: Average compute 0.001726 is 1.5% of average load 0.118008 LDB: TIME 5347.89 LOAD: AVG 0.118008 MAX 0.199517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.492 MB LDB: TIME 5347.89 LOAD: AVG 0.118008 MAX 0.199517 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.492 MB LDB: TIME 5347.89 LOAD: AVG 0.118008 MAX 0.199517 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.492 MB LDB: ============== END OF LOAD BALANCING =============== 5347.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5347.89 PRESSURE: 1796400 142.367 147.453 -122.388 147.452 16.2612 -10.0831 -122.387 -10.0825 -19.2182 GPRESSURE: 1796400 163.707 97.893 -83.1114 161.333 92.4625 -44.5077 -48.9454 -34.5762 -23.4311 PRESSAVG: 1796400 -29.8152 13.2011 -37.4918 13.2011 37.5895 34.2969 -37.4918 34.2967 5.49039 GPRESSAVG: 1796400 -28.5129 12.0143 -39.6501 15.2123 35.9352 31.9836 -34.4924 36.2482 5.33372 TIMING: 1796400 CPU: 5344.76, 0.00303529/step Wall: 5344.76, 0.00303529/step, 2.70107 hours remaining, 205.925781 MB of memory in use. ENERGY: 1796400 766.7092 2101.6203 1936.3221 103.9520 -206188.4791 17741.6410 0.0000 0.0000 34240.3480 -149297.8865 299.0295 -183538.2345 -149192.8847 299.7306 46.4699 77.5794 555385.6818 4.4216 4.2520 PRESSURE: 1796600 55.2649 14.2987 -65.7949 14.299 33.2692 -32.5211 -65.7941 -32.5216 -286.856 GPRESSURE: 1796600 90.7423 -6.21907 -93.9299 54.9325 62.6284 -20.8927 -62.8713 40.8308 -242.802 PRESSAVG: 1796600 19.9625 2.25691 -94.0865 2.25693 56.9786 -29.8869 -94.0865 -29.8868 -76.2737 GPRESSAVG: 1796600 19.9763 1.40089 -94.2953 0.636001 57.3358 -29.3325 -96.9549 -29.4766 -76.6262 TIMING: 1796600 CPU: 5345.35, 0.0029602/step Wall: 5345.35, 0.00296021/step, 2.63409 hours remaining, 205.925781 MB of memory in use. ENERGY: 1796600 778.9131 2071.8268 1983.3905 106.7156 -206372.5050 17877.0789 0.0000 0.0000 34430.8368 -149123.7434 300.6931 -183554.5802 -149027.3391 299.4865 -66.1074 -29.8106 555866.0461 0.2225 0.2286 PRESSURE: 1796800 88.838 -27.6894 43.0457 -27.6902 -44.3966 47.8532 43.047 47.853 -243.434 GPRESSURE: 1796800 141.833 46.775 70.6675 -19.9437 8.74364 -66.8667 59.5422 116.905 -255.447 PRESSAVG: 1796800 -31.2829 26.7964 25.4051 26.7965 37.0641 10.943 25.4051 10.9429 -33.0955 GPRESSAVG: 1796800 -32.6679 28.6289 28.0859 27.3141 37.2575 10.5551 27.2089 12.5824 -32.4091 TIMING: 1796800 CPU: 5345.95, 0.00296541/step Wall: 5345.95, 0.00296541/step, 2.63856 hours remaining, 205.925781 MB of memory in use. ENERGY: 1796800 714.6917 2075.2585 1954.8909 125.3452 -205922.0231 17547.6892 0.0000 0.0000 34022.2662 -149481.8813 297.1249 -183504.1475 -149383.3438 299.2750 -66.3307 -34.9568 557275.1846 -9.1048 -9.2731 PRESSURE: 1797000 47.7798 72.3127 -60.908 72.3125 -145.428 -21.0588 -60.9078 -21.0574 -309.006 GPRESSURE: 1797000 90.429 21.1755 -76.177 106.692 -177.26 -10.5522 61.8146 -44.6359 -234.264 PRESSAVG: 1797000 46.0622 112.23 60.8925 112.23 -50.5479 14.7897 60.8925 14.7897 3.39147 GPRESSAVG: 1797000 46.622 110.577 58.8567 112.613 -50.0973 17.7632 60.3434 14.245 2.20879 TIMING: 1797000 CPU: 5346.54, 0.0029483/step Wall: 5346.54, 0.00294831/step, 2.62317 hours remaining, 205.925781 MB of memory in use. ENERGY: 1797000 739.8984 2079.0691 1956.3027 103.5024 -206197.2009 17617.7027 0.0000 0.0000 34275.9314 -149424.7941 299.3402 -183700.7255 -149326.4181 298.1878 -135.5514 -107.0317 557785.9357 -0.3647 -0.4222 PRESSURE: 1797200 -146.71 130.454 -70.0613 130.454 -249.947 -79.8686 -70.0614 -79.8669 -134.019 GPRESSURE: 1797200 -184.223 141.283 -25.2972 54.3356 -206.581 -104.327 -84.3273 -87.3607 -44.2383 PRESSAVG: 1797200 11.9018 55.9018 13.6557 55.9017 -19.215 83.9817 13.6558 83.9818 0.481907 GPRESSAVG: 1797200 10.7455 55.5804 15.1695 55.6575 -19.549 82.5456 13.2773 83.7772 1.68001 TIMING: 1797200 CPU: 5347.13, 0.0029606/step Wall: 5347.13, 0.0029606/step, 2.63395 hours remaining, 205.925781 MB of memory in use. ENERGY: 1797200 791.4781 2028.6719 1991.3599 117.2316 -206237.6036 17575.8756 0.0000 0.0000 34241.2899 -149491.6966 299.0377 -183732.9865 -149393.0108 298.9495 -176.8917 -145.0143 556676.4882 -2.2771 -2.3745 PRESSURE: 1797400 -231.299 -23.9091 -265.42 -23.9099 -49.05 22.9848 -265.419 22.9845 -85.5063 GPRESSURE: 1797400 -184.052 58.9128 -188.525 -71.1742 -20.5487 44.8891 -315.354 -81.3308 -61.5637 PRESSAVG: 1797400 -59.706 19.3208 -6.55997 19.3208 7.51406 -37.6677 -6.56005 -37.6676 60.808 GPRESSAVG: 1797400 -58.1856 20.1083 -6.04637 19.7442 7.34542 -37.5447 -7.25004 -38.4485 59.0708 TIMING: 1797400 CPU: 5347.73, 0.0029819/step Wall: 5347.73, 0.0029819/step, 2.65273 hours remaining, 205.925781 MB of memory in use. ENERGY: 1797400 731.7118 2024.3621 1958.4099 118.4642 -206248.5735 17626.9768 0.0000 0.0000 34254.6367 -149534.0120 299.1543 -183788.6487 -149444.6177 299.3203 -121.9517 -88.7216 555794.7508 2.8720 2.7435 PRESSURE: 1797600 -117.541 146.27 8.97548 146.27 -78.1422 -74.7358 8.97581 -74.7356 -204.869 GPRESSURE: 1797600 -149.827 117.457 10.9744 189.5 5.49287 -37.1992 -66.1975 -101.042 -168.887 PRESSAVG: 1797600 0.340926 -7.35653 -30.479 -7.35651 5.34668 -56.0136 -30.479 -56.0136 -12.5525 GPRESSAVG: 1797600 -0.736734 -8.62472 -31.4563 -7.33998 5.10054 -55.1021 -30.5698 -53.5239 -12.146 TIMING: 1797600 CPU: 5348.32, 0.0029714/step Wall: 5348.32, 0.0029714/step, 2.64323 hours remaining, 205.925781 MB of memory in use. ENERGY: 1797600 728.9722 2061.1214 1962.8340 111.0587 -206170.6975 17681.8447 0.0000 0.0000 34274.5750 -149350.2915 299.3284 -183624.8665 -149258.7891 298.7501 -133.5173 -104.4069 557670.9347 -2.2883 -2.5941 PRESSURE: 1797800 -273.434 116.686 65.0257 116.685 -358.173 186.164 65.0267 186.165 -314.211 GPRESSURE: 1797800 -234.614 129.869 59.5515 39.1301 -341.368 207.205 71.4958 236.664 -271.409 PRESSAVG: 1797800 -19.378 -56.7873 -26.7534 -56.7873 4.39498 60.1055 -26.7535 60.1054 -1.94488 GPRESSAVG: 1797800 -19.4017 -53.8174 -27.5837 -58.1851 5.0272 60.1551 -26.7843 58.3096 -2.44786 TIMING: 1797800 CPU: 5348.91, 0.00295945/step Wall: 5348.91, 0.00295945/step, 2.63243 hours remaining, 205.925781 MB of memory in use. ENERGY: 1797800 761.2509 2056.9762 1935.6036 103.2811 -205890.3828 17455.9364 0.0000 0.0000 34403.8546 -149173.4801 300.4574 -183577.3348 -149069.3574 299.2515 -315.2729 -282.4637 558030.9864 -5.6426 -5.6075 PRESSURE: 1798000 -120.396 -9.04127 35.842 -9.04197 -103.199 210.382 35.8426 210.381 -91.4776 GPRESSURE: 1798000 -17.3454 31.1807 74.2863 -90.4596 -81.6843 158.479 70.9481 163.98 -120.212 PRESSAVG: 1798000 107.334 -47.8864 39.4804 -47.8864 -27.8085 2.51588 39.4803 2.51593 -51.2819 GPRESSAVG: 1798000 107.075 -51.5509 39.8561 -46.226 -28.2437 1.23826 39.9719 2.15999 -50.3991 TIMING: 1798000 CPU: 5349.5, 0.00293669/step Wall: 5349.5, 0.00293669/step, 2.61202 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: 1798000 753.9297 2104.2619 1953.9499 112.7098 -206208.9943 17820.8601 0.0000 0.0000 34367.6644 -149095.6185 300.1414 -183463.2829 -148993.8966 300.5112 -105.0242 -73.0805 556119.1880 9.4145 9.4774 PRESSURE: 1798200 -87.329 125.219 87.3097 125.219 -262.992 82.1882 87.3087 82.1873 -96.3485 GPRESSURE: 1798200 -68.8936 48.2983 118.398 109.105 -212.713 144.039 45.2772 15.1869 -66.7353 PRESSAVG: 1798200 -15.9461 -52.0176 -4.36719 -52.0175 8.84744 6.26941 -4.3672 6.26943 8.75543 GPRESSAVG: 1798200 -15.7586 -51.3028 -5.42287 -51.0722 9.6492 7.84848 -2.18822 5.3814 7.64217 TIMING: 1798200 CPU: 5350.09, 0.00293254/step Wall: 5350.09, 0.00293254/step, 2.60817 hours remaining, 205.925781 MB of memory in use. ENERGY: 1798200 763.9019 2043.7743 1967.3218 130.7340 -205992.3964 17641.9990 0.0000 0.0000 34511.3949 -148933.2705 301.3966 -183444.6655 -148829.5582 299.8338 -148.8898 -116.1141 557944.4845 0.5522 0.5109 PRESSURE: 1798400 -43.5526 -36.1048 -31.586 -36.1044 70.966 73.2693 -31.5855 73.2705 -5.16246 GPRESSURE: 1798400 -66.9128 -26.3659 -151.186 -106.283 130.608 53.5578 -57.0269 9.85506 69.9672 PRESSAVG: 1798400 -6.46472 2.3993 3.52329 2.39919 64.331 72.8684 3.52325 72.8687 -7.16417 GPRESSAVG: 1798400 -6.71534 4.39525 2.74583 -1.58539 64.2346 72.1948 2.18646 73.8063 -5.91218 TIMING: 1798400 CPU: 5350.68, 0.00295374/step Wall: 5350.68, 0.00295374/step, 2.62686 hours remaining, 205.925781 MB of memory in use. ENERGY: 1798400 729.8274 2098.9482 1911.1874 110.8153 -205875.9366 17739.7299 0.0000 0.0000 34137.1635 -149148.2648 298.1283 -183285.4283 -149048.6235 299.4367 7.4170 44.5541 556762.5759 16.9007 17.2024 PRESSURE: 1798600 -98.9109 34.0596 -35.6794 34.0609 2.8102 109.586 -35.6794 109.585 -95.2718 GPRESSURE: 1798600 -42.9931 0.88915 -13.4573 -6.30392 9.1343 88.3056 -39.3742 138.035 -48.0529 PRESSAVG: 1798600 -44.2702 -20.7566 40.0388 -20.7566 43.5043 14.5236 40.0388 14.5237 -26.2946 GPRESSAVG: 1798600 -43.4123 -23.1775 41.4795 -18.6189 43.1664 17.0882 39.7095 13.1881 -26.319 TIMING: 1798600 CPU: 5351.27, 0.00296582/step Wall: 5351.27, 0.00296582/step, 2.63744 hours remaining, 205.925781 MB of memory in use. ENERGY: 1798600 729.9861 2076.2756 1947.3426 119.3189 -206052.3080 17630.8373 0.0000 0.0000 34475.8422 -149072.7052 301.0861 -183548.5475 -148981.0453 299.3822 -63.7908 -27.3039 555534.6010 -9.0202 -8.8550 PRESSURE: 1798800 -64.4555 -97.8143 12.8125 -97.8147 202.274 17.819 12.8119 17.8193 174.854 GPRESSURE: 1798800 -64.8848 -72.6159 25.8964 -97.9136 233.775 0.654884 58.0855 -29.8882 242.623 PRESSAVG: 1798800 -4.06927 -7.21636 -8.79027 -7.21635 -23.0509 21.7471 -8.79024 21.7473 40.34 GPRESSAVG: 1798800 -4.34315 -6.78788 -10.9303 -6.29158 -22.9498 19.3535 -7.00295 23.3108 40.5335 TIMING: 1798800 CPU: 5351.86, 0.00296489/step Wall: 5351.86, 0.00296489/step, 2.63645 hours remaining, 205.925781 MB of memory in use. ENERGY: 1798800 723.2042 2097.2181 1942.0063 116.6471 -205941.4565 17729.5614 0.0000 0.0000 34345.6667 -148987.1527 299.9492 -183332.8194 -148891.6165 300.0483 104.2243 137.1712 556686.3117 4.4066 4.4135 PRESSURE: 1799000 78.592 -5.05369 -148.886 -5.05306 -173.467 -31.7466 -148.885 -31.7444 -185.442 GPRESSURE: 1799000 107.421 -2.59555 -55.4194 -17.9804 -157.45 -96.401 -170.715 5.78805 -127.464 PRESSAVG: 1799000 79.2678 44.1258 -99.3295 44.1258 -24.418 -1.63715 -99.3295 -1.6371 -48.0769 GPRESSAVG: 1799000 79.4182 44.0407 -95.9907 43.5956 -25.0234 -3.68614 -100.154 -2.05158 -47.7899 TIMING: 1799000 CPU: 5352.46, 0.00298476/step Wall: 5352.46, 0.00298476/step, 2.65395 hours remaining, 205.925781 MB of memory in use. ENERGY: 1799000 765.6813 2127.0953 1936.0360 123.8557 -206246.0550 17784.3694 0.0000 0.0000 34680.7556 -148828.2617 302.8757 -183509.0174 -148730.2328 301.1621 -93.4388 -59.1643 558552.3519 2.2577 2.2017 PRESSURE: 1799200 125.699 19.454 -3.97325 19.4551 -179.159 112.577 -3.97333 112.579 -35.5077 GPRESSURE: 1799200 164.061 46.5125 22.5064 57.2939 -167.061 135.592 18.369 53.4215 11.0395 PRESSAVG: 1799200 21.643 47.9026 -52.8918 47.9026 -15.6846 -2.36223 -52.8919 -2.36223 1.14299 GPRESSAVG: 1799200 21.7737 49.4857 -53.4357 47.564 -16.3376 0.275226 -52.9899 -4.1248 1.7595 TIMING: 1799200 CPU: 5353.05, 0.00293998/step Wall: 5353.05, 0.00293998/step, 2.61397 hours remaining, 205.925781 MB of memory in use. ENERGY: 1799200 741.0928 2131.6331 1949.6616 105.1182 -206206.1164 17905.6030 0.0000 0.0000 34479.4408 -148893.5669 301.1175 -183373.0077 -148789.7211 300.2282 -29.6559 2.6801 558089.5765 2.3671 2.3986 PRESSURE: 1799400 142.899 -133.049 -114.878 -133.048 -3.66567 9.3734 -114.877 9.37295 -118.023 GPRESSURE: 1799400 164.622 -65.9361 -118.477 -275.047 66.183 57.6067 -82.3733 -43.71 -102.993 PRESSAVG: 1799400 23.6682 8.14613 -57.11 8.14615 21.607 31.2104 -57.1099 31.2104 -38.5452 GPRESSAVG: 1799400 23.8229 6.83276 -58.4846 6.50789 22.3622 30.8692 -56.8031 33.0737 -39.4548 TIMING: 1799400 CPU: 5353.64, 0.00298189/step Wall: 5353.64, 0.00298189/step, 2.65107 hours remaining, 205.925781 MB of memory in use. ENERGY: 1799400 776.3127 2143.4196 1937.1350 104.6366 -205983.6460 17830.0458 0.0000 0.0000 34204.5120 -148987.5842 298.7165 -183192.0962 -148896.6212 300.3484 7.0703 42.6042 557844.9254 2.2433 2.2434 PRESSURE: 1799600 -23.4223 188.213 -136.082 188.213 198.98 -158.658 -136.082 -158.659 265.278 GPRESSURE: 1799600 32.7423 168.926 -118.759 222.977 214.017 -136.299 -127.882 -180.017 272.905 PRESSAVG: 1799600 47.5279 41.0367 -45.462 41.0367 1.58402 39.5929 -45.4619 39.593 -42.9155 GPRESSAVG: 1799600 46.8046 42.2324 -44.7329 42.6499 0.981311 41.0696 -44.3984 38.864 -41.2453 TIMING: 1799600 CPU: 5354.24, 0.00299214/step Wall: 5354.24, 0.00299214/step, 2.66001 hours remaining, 205.925781 MB of memory in use. ENERGY: 1799600 747.4955 2136.6198 1998.9379 109.3309 -206410.8373 18032.8576 0.0000 0.0000 34420.1241 -148965.4715 300.5995 -183385.5956 -148863.7845 299.7110 146.9452 173.2214 558474.9182 2.0655 2.1802 PRESSURE: 1799800 -148.103 -68.8131 -89.2377 -68.8141 -159.056 -44.2036 -89.2376 -44.2026 -64.8821 GPRESSURE: 1799800 -17.8498 -9.52562 -19.2849 -76.4872 -124.953 -45.8458 -86.2505 -66.6999 -135.815 PRESSAVG: 1799800 0.790355 0.960414 -45.624 0.960361 23.5025 -3.31888 -45.624 -3.31886 -8.458 GPRESSAVG: 1799800 2.30697 0.305542 -45.7666 1.78557 23.5096 -5.34225 -46.7345 -2.30688 -9.97505 TIMING: 1799800 CPU: 5354.83, 0.00295608/step Wall: 5354.83, 0.00295608/step, 2.62779 hours remaining, 205.925781 MB of memory in use. ENERGY: 1799800 778.2290 2083.1282 1935.8057 118.5917 -205903.3293 17706.8446 0.0000 0.0000 34301.5758 -148979.1542 299.5642 -183280.7300 -148883.2267 299.4234 -124.0138 -92.8725 558186.0006 5.2783 5.2805 PRESSURE: 1800000 -39.7321 -171.648 -21.1199 -171.648 -40.2319 115.676 -21.1205 115.675 -130.427 GPRESSURE: 1800000 -37.1753 -159.549 70.6678 -134.376 36.2316 0.488671 -36.4765 112.352 -119.247 PRESSAVG: 1800000 -22.8502 22.8935 -23.7975 22.8935 14.4171 3.74339 -23.7975 3.74332 -1.15631 GPRESSAVG: 1800000 -22.9866 23.1633 -22.7623 22.5749 15.4631 2.38927 -23.9437 3.80168 -1.62468 TIMING: 1800000 CPU: 5355.43, 0.00297347/step Wall: 5355.43, 0.00297347/step, 2.64308 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: 1800000 773.5075 2125.7060 1932.5298 124.1879 -205736.6571 17664.9158 0.0000 0.0000 34287.5743 -148828.2358 299.4419 -183115.8100 -148733.8071 299.5202 -70.1304 -40.0636 557108.8540 -3.1965 -3.0494 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1800000 WRITING COORDINATES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1800200 -192.939 -115.193 95.3059 -115.193 -395.798 49.9871 95.3058 49.9877 -157.981 GPRESSURE: 1800200 -123.619 -44.2664 37.7134 -224.05 -367.048 4.35607 154.111 84.6466 -161.099 PRESSAVG: 1800200 5.96575 -17.1716 39.762 -17.1717 -44.3641 -24.0176 39.762 -24.0177 43.4357 GPRESSAVG: 1800200 5.6855 -18.3019 42.8074 -17.7649 -44.9289 -24.2608 38.0688 -22.759 44.5558 TIMING: 1800200 CPU: 5356.06, 0.00316015/step Wall: 5356.06, 0.00316015/step, 2.80884 hours remaining, 205.925781 MB of memory in use. ENERGY: 1800200 801.3330 2039.7014 1935.9414 127.7637 -205771.9895 17508.3623 0.0000 0.0000 34443.1185 -148915.7692 300.8003 -183358.8877 -148820.0976 300.1641 -248.9059 -217.2552 557664.9358 1.6791 1.7708 LDB: ============= START OF LOAD BALANCING ============== 5359.49 LDB: ============== END OF LOAD BALANCING =============== 5359.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5359.49 LDB: ============= START OF LOAD BALANCING ============== 5359.79 LDB: Largest compute 4847 load 0.022260 is 18.8% of average load 0.118118 LDB: Average compute 0.001722 is 1.5% of average load 0.118118 LDB: TIME 5359.79 LOAD: AVG 0.118118 MAX 0.197662 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.695 MB LDB: TIME 5359.79 LOAD: AVG 0.118118 MAX 0.197662 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.695 MB LDB: TIME 5359.79 LOAD: AVG 0.118118 MAX 0.197662 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.695 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5359.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5359.8 PRESSURE: 1800400 20.9606 99.6391 169.222 99.6406 -28.9918 38.5601 169.223 38.5613 209.899 GPRESSURE: 1800400 -0.553234 167.811 31.646 -8.72135 40.8736 28.9562 196.149 9.30926 254.366 PRESSAVG: 1800400 -3.49961 4.8497 56.2298 4.84963 13.6184 40.2359 56.2299 40.2359 14.9941 GPRESSAVG: 1800400 -3.79694 5.78753 52.0407 3.99181 14.9232 41.4613 58.5946 40.3011 14.3101 TIMING: 1800400 CPU: 5356.67, 0.00303792/step Wall: 5356.67, 0.00303792/step, 2.70004 hours remaining, 206.750000 MB of memory in use. ENERGY: 1800400 773.5816 2169.1028 1947.3957 106.6421 -205996.3377 17701.0034 0.0000 0.0000 34408.3372 -148890.2748 300.4966 -183298.6120 -148799.2624 300.5903 67.2894 98.2287 555795.7180 8.3710 8.4788 PRESSURE: 1800600 216.1 -55.0977 -19.1386 -55.0978 -228.429 74.1053 -19.1395 74.1064 -145.355 GPRESSURE: 1800600 192.806 -83.3529 42.3241 -0.163807 -166.863 147.01 -53.4336 37.0799 -92.2807 PRESSAVG: 1800600 -13.0553 -23.3217 57.9092 -23.3216 1.82429 14.6036 57.9092 14.6036 17.8751 GPRESSAVG: 1800600 -12.7038 -22.6826 60.4856 -24.1229 1.28277 14.9814 56.0001 11.9967 18.4905 TIMING: 1800600 CPU: 5357.25, 0.00293771/step Wall: 5357.25, 0.00293771/step, 2.61081 hours remaining, 206.750000 MB of memory in use. ENERGY: 1800600 733.4521 2128.2541 1943.0595 116.6658 -205695.8437 17676.1639 0.0000 0.0000 34140.7004 -148957.5479 298.1592 -183098.2483 -148855.0984 300.2423 -52.5612 -22.1126 556869.6332 2.2147 2.3565 PRESSURE: 1800800 -66.7429 80.8579 25.912 80.8578 45.0621 134.37 25.9119 134.37 104.276 GPRESSURE: 1800800 -65.9094 12.3435 57.3492 107.719 52.5412 124.112 68.8907 -46.3118 182.311 PRESSAVG: 1800800 -36.9703 -25.8767 -31.5134 -25.8766 -6.0152 -26.9064 -31.5135 -26.9064 54.4842 GPRESSAVG: 1800800 -37.7123 -27.5583 -33.9368 -23.9745 -5.96891 -26.5117 -30.9065 -25.5364 55.2629 TIMING: 1800800 CPU: 5357.85, 0.00298661/step Wall: 5357.85, 0.00298661/step, 2.6541 hours remaining, 206.750000 MB of memory in use. ENERGY: 1800800 730.0561 2107.1045 1952.5655 133.6881 -205966.6143 17612.9918 0.0000 0.0000 34252.3832 -149177.8251 299.1346 -183430.2083 -149077.3362 300.2040 27.5318 56.3142 556373.2907 3.8329 3.8606 PRESSURE: 1801000 -0.443643 -54.4386 -7.91057 -54.4378 28.1734 -145.308 -7.91022 -145.308 121.435 GPRESSURE: 1801000 49.627 -119.419 2.90637 -29.0379 50.5519 -178.295 45.1369 -135.234 148.445 PRESSAVG: 1801000 -25.7641 36.7391 41.0098 36.7391 -14.3895 -34.1542 41.0098 -34.1543 15.901 GPRESSAVG: 1801000 -24.5393 36.7058 42.5778 35.6836 -15.813 -36.3254 40.8523 -33.4308 16.0158 TIMING: 1801000 CPU: 5358.46, 0.00302024/step Wall: 5358.46, 0.00302024/step, 2.68382 hours remaining, 206.750000 MB of memory in use. ENERGY: 1801000 742.7389 2087.5677 1929.5387 111.3030 -206361.3540 17998.9329 0.0000 0.0000 34431.2412 -149060.0316 300.6966 -183491.2728 -148956.6878 299.3107 49.7216 82.8747 557146.5501 -8.0842 -8.1122 PRESSURE: 1801200 -220.805 -88.0973 78.461 -88.0962 -179.098 8.28034 78.4613 8.27945 59.2802 GPRESSURE: 1801200 -175.198 -63.2115 60.849 -126.603 -178.98 68.5596 99.7474 -9.99557 115.746 PRESSAVG: 1801200 2.8956 8.61693 -24.1483 8.61683 3.7482 -18.6723 -24.1484 -18.6723 -24.4712 GPRESSAVG: 1801200 2.07019 9.92318 -24.1748 7.29006 4.73912 -15.9886 -25.8241 -20.8388 -24.9092 TIMING: 1801200 CPU: 5359.05, 0.00297054/step Wall: 5359.05, 0.00297054/step, 2.63949 hours remaining, 206.750000 MB of memory in use. ENERGY: 1801200 692.3988 2036.6587 1953.6183 111.5405 -205866.0762 17668.7917 0.0000 0.0000 34233.9079 -149169.1602 298.9732 -183403.0682 -149062.2178 299.1243 -113.5410 -79.4772 557871.6790 -5.9425 -6.0333 PRESSURE: 1801400 -45.3708 -62.9386 171.888 -62.9378 -7.95185 -8.94377 171.889 -8.94518 59.6735 GPRESSURE: 1801400 -37.5834 -1.35505 257.042 -131.886 29.0398 20.5406 158.583 -13.9654 107.729 PRESSAVG: 1801400 40.1074 0.854844 60.6045 0.854742 14.2702 -65.1285 60.6046 -65.1285 35.2627 GPRESSAVG: 1801400 39.528 -1.2978 60.4505 3.35094 14.0457 -64.7682 61.7353 -63.8777 35.8918 TIMING: 1801400 CPU: 5359.65, 0.00297601/step Wall: 5359.65, 0.00297601/step, 2.64418 hours remaining, 206.750000 MB of memory in use. ENERGY: 1801400 745.5604 2084.8903 1962.5228 106.4589 -205939.0731 17865.6983 0.0000 0.0000 34203.1946 -148970.7479 298.7050 -183173.9425 -148880.1717 299.5455 2.1170 33.0616 558071.9849 29.8801 29.8218 PRESSURE: 1801600 -2.76443 142.325 174.017 142.323 58.0561 88.5647 174.017 88.5662 61.2008 GPRESSURE: 1801600 41.0613 200.226 185.322 85.5869 101.697 126.172 169.254 64.1897 73.5595 PRESSAVG: 1801600 10.8902 12.7756 52.053 12.7756 36.1319 -3.15408 52.053 -3.15406 -50.8392 GPRESSAVG: 1801600 9.8557 15.016 50.4811 11.2734 36.0972 -4.22334 51.7712 -3.53709 -50.3047 TIMING: 1801600 CPU: 5360.24, 0.00296565/step Wall: 5360.24, 0.00296565/step, 2.63482 hours remaining, 206.750000 MB of memory in use. ENERGY: 1801600 733.9476 2085.5220 1937.3066 102.5300 -205778.3813 17752.1047 0.0000 0.0000 34355.1003 -148811.8701 300.0316 -183166.9703 -148721.8549 299.9874 38.8308 72.1060 556065.3653 -1.2723 -1.4506 PRESSURE: 1801800 155.572 -70.6246 -24.9992 -70.6235 -2.12 -22.4979 -24.9993 -22.4974 245.329 GPRESSURE: 1801800 179.085 53.1223 -11.9943 -30.7456 30.2944 -118.385 -9.86104 -60.5124 277.801 PRESSAVG: 1801800 -33.0825 4.9513 12.7948 4.95122 19.6718 42.8926 12.7948 42.8926 13.7961 GPRESSAVG: 1801800 -32.6036 4.25026 14.7485 5.9408 20.5618 43.7043 12.907 42.2142 12.1565 TIMING: 1801800 CPU: 5360.83, 0.00296422/step Wall: 5360.83, 0.00296422/step, 2.63338 hours remaining, 206.750000 MB of memory in use. ENERGY: 1801800 725.9726 2066.3340 1953.1357 116.4821 -206206.6558 18045.0360 0.0000 0.0000 34287.1886 -149012.5068 299.4385 -183299.6954 -148911.2612 299.6406 132.9270 162.3936 556792.3169 0.1285 0.0383 PRESSURE: 1802000 -162.499 80.986 57.3838 80.9863 -116.89 44.8481 57.3831 44.8498 -300.792 GPRESSURE: 1802000 -123.14 11.3683 71.2653 108.022 -107.561 20.7513 67.6046 132.888 -242.474 PRESSAVG: 1802000 -6.2285 21.1247 34.0181 21.1247 104.367 -17.5717 34.018 -17.5717 -34.8837 GPRESSAVG: 1802000 -5.46231 19.2566 32.1859 23.3247 103.442 -18.1662 33.5533 -19.0272 -34.4816 TIMING: 1802000 CPU: 5361.42, 0.00296393/step Wall: 5361.42, 0.00296393/step, 2.63296 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: 1802000 741.3428 2043.0020 1954.9613 123.9138 -205466.2099 17519.9825 0.0000 0.0000 34145.2035 -148937.8041 298.1986 -183083.0076 -148836.7372 299.1592 -193.3937 -157.7251 560567.1668 21.0849 21.1661 PRESSURE: 1802200 273.129 -193.934 69.0334 -193.934 13.8597 31.2684 69.0325 31.2678 -54.344 GPRESSURE: 1802200 306.759 -122.522 4.74181 -245.031 50.5788 -55.2117 55.4856 57.4211 -37.793 PRESSAVG: 1802200 46.887 5.13772 28.2547 5.13763 -17.3232 -9.50928 28.2546 -9.50935 -52.5206 GPRESSAVG: 1802200 46.9668 7.71975 27.5873 1.12355 -18.6443 -11.4923 31.2714 -8.89186 -51.9904 TIMING: 1802200 CPU: 5362.02, 0.00298573/step Wall: 5362.02, 0.00298573/step, 2.65216 hours remaining, 206.750000 MB of memory in use. ENERGY: 1802200 706.4346 2078.9396 1940.6537 112.5046 -205977.2686 17803.0949 0.0000 0.0000 34392.4225 -148943.2187 300.3576 -183335.6412 -148840.7155 300.0448 77.5483 106.5149 557958.7067 -7.6522 -7.8893 PRESSURE: 1802400 142.547 -2.52024 62.9461 -2.51993 171.166 -153.421 62.9464 -153.42 -81.5031 GPRESSURE: 1802400 157.582 8.03868 65.9244 71.8051 195.021 -107.076 91.141 -169.378 -19.3927 PRESSAVG: 1802400 49.2116 -40.7913 21.3017 -40.7913 -39.0863 3.58443 21.3017 3.58429 -59.5065 GPRESSAVG: 1802400 48.8209 -41.3936 23.374 -38.7544 -38.1253 3.65265 19.5446 6.62702 -60.1723 TIMING: 1802400 CPU: 5362.62, 0.00297158/step Wall: 5362.62, 0.00297158/step, 2.63942 hours remaining, 206.750000 MB of memory in use. ENERGY: 1802400 758.9978 2155.0305 1923.2855 111.2940 -206479.7694 18031.4276 0.0000 0.0000 34494.9218 -149004.8122 301.2527 -183499.7340 -148915.3147 300.1466 77.4030 111.0703 557221.7874 -16.4604 -16.4922 PRESSURE: 1802600 -259.281 26.784 -130.402 26.7847 187.642 92.726 -130.404 92.7256 -85.3261 GPRESSURE: 1802600 -176.658 -7.4734 -142.168 8.32903 202.247 122.17 -173.812 24.8893 -77.6439 PRESSAVG: 1802600 31.7588 -19.5997 -35.7071 -19.5996 -27.524 3.79655 -35.707 3.79658 -27.729 GPRESSAVG: 1802600 31.5037 -19.9032 -36.8766 -19.0839 -26.8227 5.3534 -35.9905 1.75484 -27.372 TIMING: 1802600 CPU: 5363.21, 0.00295873/step Wall: 5363.21, 0.00295873/step, 2.62784 hours remaining, 206.750000 MB of memory in use. ENERGY: 1802600 775.4056 2054.8701 1960.7800 120.9957 -205946.5150 17662.1647 0.0000 0.0000 34268.6538 -149103.6451 299.2767 -183372.2989 -149010.2900 299.9300 -52.3219 -17.3519 556976.3616 -7.8314 -7.5637 PRESSURE: 1802800 -50.0584 80.1003 -25.5993 80.1004 -380.692 79.4269 -25.5992 79.4247 18.3442 GPRESSURE: 1802800 -31.3541 158.289 58.3494 15.903 -349.853 80.7906 27.3754 94.0156 69.556 PRESSAVG: 1802800 -0.963093 -68.8125 -6.61901 -68.8125 -40.9911 -11.6476 -6.61898 -11.6475 48.769 GPRESSAVG: 1802800 -0.311366 -68.9255 -5.38011 -70.1055 -40.3832 -11.59 -7.10641 -11.6915 47.2771 TIMING: 1802800 CPU: 5363.79, 0.00292371/step Wall: 5363.79, 0.00292371/step, 2.59658 hours remaining, 206.750000 MB of memory in use. ENERGY: 1802800 774.2161 2104.6459 1982.7872 117.4663 -205849.8124 17576.3451 0.0000 0.0000 34317.4735 -148976.8782 299.7030 -183294.3517 -148887.1577 299.0127 -137.4686 -103.8836 558436.2368 2.2716 2.1942 PRESSURE: 1803000 -51.3151 40.0219 4.38445 40.0223 152.48 -72.6004 4.38333 -72.6023 47.1852 GPRESSURE: 1803000 -3.44389 91.4788 -21.9649 82.3639 155.992 -85.0753 -66.5196 -59.3346 94.6484 PRESSAVG: 1803000 -31.0755 -8.46793 27.0713 -8.46783 8.40903 -10.2012 27.0713 -10.2013 5.80918 GPRESSAVG: 1803000 -31.1657 -8.84384 26.9255 -5.61489 7.47708 -8.41324 28.0178 -10.7654 6.73522 TIMING: 1803000 CPU: 5364.38, 0.00296027/step Wall: 5364.38, 0.00296027/step, 2.62888 hours remaining, 206.750000 MB of memory in use. ENERGY: 1803000 754.9202 2169.1618 1951.7085 107.4579 -206157.8222 17841.5000 0.0000 0.0000 34337.5874 -148995.4865 299.8787 -183333.0739 -148903.1834 299.9900 49.4501 82.3987 557953.1965 -5.6191 -5.6511 PRESSURE: 1803200 170.31 162.365 -118.13 162.367 -64.4255 20.713 -118.13 20.7131 -6.91539 GPRESSURE: 1803200 193.829 128.847 -188.689 115.652 7.64315 -15.6221 -56.9827 8.18943 4.45315 PRESSAVG: 1803200 18.1904 36.0919 -15.7968 36.0918 12.7446 55.2704 -15.7967 55.2704 -44.9659 GPRESSAVG: 1803200 18.37 37.1949 -16.3735 34.4293 12.6269 52.2009 -14.5029 56.5329 -45.31 TIMING: 1803200 CPU: 5364.98, 0.00295605/step Wall: 5364.98, 0.00295605/step, 2.62498 hours remaining, 206.750000 MB of memory in use. ENERGY: 1803200 722.3165 2093.2281 1941.8999 101.8297 -206179.6281 17831.2200 0.0000 0.0000 34401.7742 -149087.3596 300.4393 -183489.1338 -148981.1447 299.5258 32.9898 68.6419 558012.5968 -4.6770 -4.7710 PRESSURE: 1803400 17.269 4.4118 -54.3833 4.41205 -162.614 -42.3065 -54.3834 -42.3064 47.8946 GPRESSURE: 1803400 113.838 -49.2481 -89.6771 2.97412 -117.052 11.1606 -21.6131 -95.1862 1.87216 PRESSAVG: 1803400 45.9263 29.3296 -4.14821 29.3297 -54.9901 -11.8056 -4.14822 -11.8056 -19.8333 GPRESSAVG: 1803400 45.39 30.4391 -4.40622 28.9738 -54.3185 -10.706 -5.22884 -13.17 -19.854 TIMING: 1803400 CPU: 5365.57, 0.00295525/step Wall: 5365.57, 0.00295525/step, 2.6241 hours remaining, 206.750000 MB of memory in use. ENERGY: 1803400 738.2474 2091.7410 1953.2575 110.9323 -206015.9619 17740.0435 0.0000 0.0000 34334.9771 -149046.7631 299.8559 -183381.7403 -148946.8004 299.7310 -32.4833 -0.4472 557699.3072 -9.6324 -9.5942 PRESSURE: 1803600 -240.553 140.742 124.009 140.74 -182.373 -97.1472 124.009 -97.1467 -113.888 GPRESSURE: 1803600 -261.91 102.615 95.4814 74.3955 -121.836 -137.754 163.219 -41.4286 -58.8574 PRESSAVG: 1803600 -54.6364 -0.815394 43.9671 -0.815415 -40.1309 -59.0711 43.9671 -59.0711 52.3139 GPRESSAVG: 1803600 -55.1146 -0.686076 43.9006 -2.16147 -40.4229 -59.1923 44.178 -58.7155 53.1419 TIMING: 1803600 CPU: 5366.15, 0.00293976/step Wall: 5366.15, 0.00293976/step, 2.61018 hours remaining, 206.750000 MB of memory in use. ENERGY: 1803600 769.6708 2149.3232 1948.7526 106.0071 -205672.9069 17401.3433 0.0000 0.0000 34276.5113 -149021.2985 299.3453 -183297.8099 -148932.9859 300.1141 -178.9379 -147.5346 556733.9371 -14.1511 -14.1319 PRESSURE: 1803800 -222.518 106.452 -97.7642 106.452 -179.729 -80.0173 -97.7635 -80.0192 -144.238 GPRESSURE: 1803800 -215.845 24.2325 -60.7122 145.012 -126.14 -143.729 -84.6901 -123.757 -103.02 PRESSAVG: 1803800 -8.70808 53.912 -15.0209 53.912 -59.4745 -55.9097 -15.0209 -55.9098 53.8553 GPRESSAVG: 1803800 -7.8762 52.3077 -15.1435 56.6136 -58.6187 -55.0309 -13.9889 -58.7682 52.9197 TIMING: 1803800 CPU: 5366.74, 0.00294675/step Wall: 5366.74, 0.00294675/step, 2.61622 hours remaining, 206.750000 MB of memory in use. ENERGY: 1803800 759.3849 2096.6217 1928.3173 127.0429 -205770.9921 17452.7587 0.0000 0.0000 34208.3484 -149198.5182 298.7500 -183406.8666 -149100.8098 300.0262 -182.1618 -148.3350 556928.3786 -4.7758 -4.5251 PRESSURE: 1804000 -90.1452 -75.4328 160.911 -75.4326 -48.6056 187.332 160.911 187.332 -32.5282 GPRESSURE: 1804000 -64.4744 -59.8857 97.211 -19.4859 7.71721 198.091 180.01 111.599 -20.1239 PRESSAVG: 1804000 -25.2258 23.6719 -58.7267 23.6718 -25.1348 -15.2039 -58.7268 -15.2038 48.9828 GPRESSAVG: 1804000 -24.5896 25.3986 -58.4328 21.6278 -25.7221 -15.9014 -57.2582 -12.853 49.4061 TIMING: 1804000 CPU: 5367.33, 0.00294146/step Wall: 5367.33, 0.00294146/step, 2.61137 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: 1804000 741.5558 2101.4266 1952.7682 128.5989 -206075.0967 17557.0679 0.0000 0.0000 34442.1059 -149151.5734 300.7915 -183593.6793 -149053.8685 299.7397 -57.0930 -25.6270 554912.9374 -0.4593 -0.3019 PRESSURE: 1804200 -248.862 -77.6404 39.026 -77.6409 100.784 -49.3802 39.025 -49.3795 -141.179 GPRESSURE: 1804200 -181.502 -19.3976 33.0592 -70.7155 72.9924 -136.614 38.9334 63.9199 -90.8434 PRESSAVG: 1804200 -70.5272 28.157 13.5764 28.157 73.0558 9.53216 13.5764 9.53227 1.85022 GPRESSAVG: 1804200 -69.9875 25.7561 15.6848 30.2415 73.9836 8.88991 11.0319 11.2395 0.451531 TIMING: 1804200 CPU: 5367.92, 0.00294066/step Wall: 5367.92, 0.00294066/step, 2.61049 hours remaining, 206.750000 MB of memory in use. ENERGY: 1804200 738.8805 2101.9664 1943.4514 122.9446 -206383.5182 17769.8951 0.0000 0.0000 34593.1103 -149113.2699 302.1102 -183706.3802 -149018.6483 300.8363 -96.4191 -66.4509 557035.7987 1.4596 1.4825 LDB: ============= START OF LOAD BALANCING ============== 5371.34 LDB: ============== END OF LOAD BALANCING =============== 5371.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5371.35 LDB: ============= START OF LOAD BALANCING ============== 5371.64 LDB: Largest compute 4847 load 0.024003 is 20.3% of average load 0.118035 LDB: Average compute 0.001726 is 1.5% of average load 0.118035 LDB: TIME 5371.65 LOAD: AVG 0.118035 MAX 0.197229 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.027 MB LDB: TIME 5371.65 LOAD: AVG 0.118035 MAX 0.197229 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.234 MB LDB: TIME 5371.65 LOAD: AVG 0.118035 MAX 0.197229 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.234 MB LDB: ============== END OF LOAD BALANCING =============== 5371.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5371.65 PRESSURE: 1804400 -216.52 86.1877 -10.744 86.1868 -42.2693 116.885 -10.7414 116.887 -373.457 GPRESSURE: 1804400 -220.682 81.0224 -43.2301 -26.8015 -46.9956 20.7747 -8.98123 158.083 -277.372 PRESSAVG: 1804400 -22.5986 9.55839 8.8892 9.55847 130.388 8.56906 8.88919 8.56907 -74.1882 GPRESSAVG: 1804400 -22.1543 9.24627 7.4573 6.54753 128.692 10.1732 10.2466 6.5772 -72.3437 TIMING: 1804400 CPU: 5368.52, 0.00301654/step Wall: 5368.52, 0.00301654/step, 2.67768 hours remaining, 207.800781 MB of memory in use. ENERGY: 1804400 750.2578 2160.3913 1966.0614 101.6172 -205645.9919 17414.3894 0.0000 0.0000 34263.1194 -148990.1553 299.2283 -183253.2747 -148887.5280 300.2100 -210.7487 -181.6830 558248.4471 11.2004 11.3981 PRESSURE: 1804600 -216.064 176.002 -16.0846 176.002 -9.56945 107.137 -16.0839 107.137 -200.872 GPRESSURE: 1804600 -281.84 210.312 -28.9583 252.933 43.7474 86.9702 -32.439 25.6535 -90.8805 PRESSAVG: 1804600 -39.625 22.5078 -10.5163 22.5076 37.0131 -18.7492 -10.5163 -18.7493 -0.73571 GPRESSAVG: 1804600 -40.9013 23.6716 -12.1226 24.5169 38.3738 -18.6755 -10.6393 -19.0279 -0.645155 TIMING: 1804600 CPU: 5369.12, 0.00296007/step Wall: 5369.12, 0.00296007/step, 2.62739 hours remaining, 207.800781 MB of memory in use. ENERGY: 1804600 775.0257 2061.7086 1934.6634 111.0012 -206145.5878 17731.9595 0.0000 0.0000 34425.2019 -149106.0275 300.6439 -183531.2294 -149011.9938 300.2562 -142.1686 -109.6576 558178.2477 -1.1159 -1.0576 PRESSURE: 1804800 26.9207 -23.4119 65.4463 -23.4107 174.221 101.446 65.4469 101.446 -172.93 GPRESSURE: 1804800 77.6493 -21.7157 -63.5524 -37.0791 192.221 94.2094 153.962 100.986 -147.671 PRESSAVG: 1804800 -26.0826 -2.34369 56.631 -2.3438 43.1345 3.91909 56.631 3.91903 -7.09065 GPRESSAVG: 1804800 -26.0379 -2.22268 56.1417 -3.38243 43.16 2.94982 56.4467 5.92068 -7.15634 TIMING: 1804800 CPU: 5369.71, 0.00299494/step Wall: 5369.71, 0.00299494/step, 2.65818 hours remaining, 207.800781 MB of memory in use. ENERGY: 1804800 720.6694 2085.5326 1937.6717 106.5197 -206027.7470 17756.0010 0.0000 0.0000 34384.4341 -149036.9185 300.2878 -183421.3526 -148947.5332 300.4569 9.4037 40.7329 557620.7158 3.3204 3.3219 PRESSURE: 1805000 177.85 -1.22135 -84.7317 -1.22143 96.3044 -13.8979 -84.73 -13.8974 179.503 GPRESSURE: 1805000 242.135 -87.0075 -235.247 79.1094 111.859 -52.0507 10.2339 -54.4843 187.144 PRESSAVG: 1805000 -13.7781 -22.2002 16.5808 -22.2001 39.7607 21.4353 16.5807 21.4354 -3.18253 GPRESSAVG: 1805000 -14.1819 -22.8747 15.5844 -21.9924 40.2489 23.8305 16.9018 20.135 -3.07222 TIMING: 1805000 CPU: 5370.31, 0.00299971/step Wall: 5370.31, 0.00299971/step, 2.66224 hours remaining, 207.996094 MB of memory in use. ENERGY: 1805000 768.0903 2094.4340 1938.9389 110.5538 -206342.3880 18053.9320 0.0000 0.0000 34176.2316 -149200.2072 298.4695 -183376.4389 -149110.9174 300.1587 151.2190 180.3793 558122.1239 7.6000 7.6649 PRESSURE: 1805200 109.893 184.777 -149.339 184.777 -11.0722 9.61155 -149.339 9.61155 217.168 GPRESSURE: 1805200 154.61 291.012 -253.91 74.3595 -12.6213 35.2866 -66.7633 -13.8051 269.739 PRESSAVG: 1805200 59.7283 28.4537 14.822 28.4537 -40.524 -3.53558 14.822 -3.53553 -37.1776 GPRESSAVG: 1805200 60.4691 27.0733 16.2849 30.0246 -40.3494 -3.52263 12.5931 -1.88187 -37.7975 TIMING: 1805200 CPU: 5370.91, 0.00296229/step Wall: 5370.91, 0.00296229/step, 2.62887 hours remaining, 207.996094 MB of memory in use. ENERGY: 1805200 713.8548 2139.4754 1942.6982 109.2883 -206219.7692 17945.5268 0.0000 0.0000 34036.1735 -149332.7522 297.2464 -183368.9257 -149250.1991 298.6758 105.3296 137.2426 557679.7814 -5.9911 -5.8926 PRESSURE: 1805400 105.22 -16.4434 30.7507 -16.4425 -28.5907 -85.6892 30.7505 -85.6885 9.5872 GPRESSURE: 1805400 145.874 -51.3916 79.6136 7.26133 12.8112 3.31193 32.8743 -124.766 21.5761 PRESSAVG: 1805400 -0.660202 39.1672 -42.347 39.1673 12.7312 -39.1642 -42.347 -39.1641 14.1191 GPRESSAVG: 1805400 -0.949414 40.9504 -40.4471 36.9071 11.8862 -39.5196 -40.9977 -40.8277 14.3933 TIMING: 1805400 CPU: 5371.5, 0.0029702/step Wall: 5371.5, 0.0029702/step, 2.63572 hours remaining, 207.996094 MB of memory in use. ENERGY: 1805400 747.6264 2062.0238 1951.1155 111.5785 -206380.4615 17904.8100 0.0000 0.0000 34226.7611 -149376.5464 298.9108 -183603.3075 -149282.1230 298.6959 28.7389 60.0873 556251.3865 8.7300 8.4434 PRESSURE: 1805600 130.435 -99.5346 -113.51 -99.5348 102.754 -18.1684 -113.511 -18.1681 198.843 GPRESSURE: 1805600 152.076 -53.312 -156.841 -90.5856 176.8 10.5151 -27.8725 -144.031 204.42 PRESSAVG: 1805600 14.7991 26.1645 -17.938 26.1644 -38.0405 -70.7836 -17.938 -70.7836 5.64562 GPRESSAVG: 1805600 14.9973 24.3814 -19.0826 28.7017 -38.1034 -72.7393 -16.3428 -70.4514 5.93206 TIMING: 1805600 CPU: 5372.1, 0.00298211/step Wall: 5372.1, 0.00298211/step, 2.64613 hours remaining, 207.996094 MB of memory in use. ENERGY: 1805600 757.6257 2051.9857 1944.3244 117.7577 -206716.7420 18153.0057 0.0000 0.0000 34335.0023 -149357.0404 299.8561 -183692.0427 -149262.3467 299.4328 144.0104 177.7656 557601.6977 -5.8652 -5.7247 PRESSURE: 1805800 -80.4778 36.6561 34.1114 36.6576 -408.338 -197.669 34.1119 -197.671 -30.7142 GPRESSURE: 1805800 -27.0928 27.228 41.7988 116.624 -401.179 -216.577 76.5616 -241.58 2.72548 PRESSAVG: 1805800 -27.3206 -27.2789 11.7191 -27.279 -21.7764 -71.2949 11.7191 -71.2948 49.8284 GPRESSAVG: 1805800 -28.2519 -25.4781 10.22 -27.6065 -20.9878 -70.4531 10.6387 -71.2747 50.1048 TIMING: 1805800 CPU: 5372.69, 0.00295489/step Wall: 5372.69, 0.00295489/step, 2.62181 hours remaining, 207.996094 MB of memory in use. ENERGY: 1805800 761.3353 2063.7032 1968.2238 116.0370 -205965.2612 17536.4091 0.0000 0.0000 34203.9562 -149315.5965 298.7117 -183519.5527 -149214.1002 299.2262 -173.1767 -141.8489 557088.5166 0.2438 0.2884 PRESSURE: 1806000 102.105 121.656 46.5409 121.656 -58.54 72.4466 46.5415 72.4477 115.404 GPRESSURE: 1806000 146.927 43.4859 54.2858 204.79 -60.37 72.2594 83.8159 45.4344 173.103 PRESSAVG: 1806000 47.4922 13.2 -17.399 13.1999 -69.3184 -50.7239 -17.3991 -50.7238 -12.3123 GPRESSAVG: 1806000 48.4783 13.8731 -16.6616 12.1133 -70.4102 -49.7695 -15.0156 -50.8244 -12.6765 TIMING: 1806000 CPU: 5373.28, 0.00297585/step Wall: 5373.28, 0.00297585/step, 2.64024 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: 1806000 730.3496 2085.1926 1979.6847 108.1845 -206408.9136 17913.8473 0.0000 0.0000 34288.8621 -149302.7927 299.4532 -183591.6548 -149209.6139 299.2891 52.9895 86.5532 556836.4603 -11.3795 -11.5361 PRESSURE: 1806200 11.9832 139.607 145.885 139.607 -82.5745 6.3929 145.885 6.39178 -269.084 GPRESSURE: 1806200 53.667 142.517 172.532 206.393 -62.0171 -24.3844 185.932 24.964 -240.375 PRESSAVG: 1806200 4.83429 -40.0619 -53.3348 -40.0617 3.73196 32.0837 -53.335 32.0837 -1.93729 GPRESSAVG: 1806200 4.41444 -41.1511 -50.2956 -37.7565 3.6853 30.697 -56.7468 32.1739 -1.38473 TIMING: 1806200 CPU: 5373.87, 0.00295278/step Wall: 5373.87, 0.00295278/step, 2.61961 hours remaining, 208.003906 MB of memory in use. ENERGY: 1806200 772.1954 2047.0969 1968.7806 118.7584 -205873.9321 17632.6726 0.0000 0.0000 34205.9532 -149128.4751 298.7291 -183334.4283 -149038.1586 299.3476 -113.2249 -82.9085 558213.5977 2.2097 2.2383 PRESSURE: 1806400 68.7741 109.103 47.5249 109.103 73.4795 21.5585 47.5238 21.5565 80.5575 GPRESSURE: 1806400 153.587 115.541 -2.64948 25.931 79.5412 39.9623 73.3964 -77.4543 97.0169 PRESSAVG: 1806400 45.5454 24.4976 48.1764 24.4977 2.59093 -22.9672 48.1763 -22.9671 -65.6479 GPRESSAVG: 1806400 46.694 24.0782 45.3565 23.7749 2.16243 -20.75 50.4874 -23.2233 -66.452 TIMING: 1806400 CPU: 5374.46, 0.00295336/step Wall: 5374.46, 0.00295336/step, 2.61996 hours remaining, 208.003906 MB of memory in use. ENERGY: 1806400 749.6371 2099.6621 1941.4724 98.4309 -205894.8678 17777.9873 0.0000 0.0000 34180.2467 -149047.4313 298.5046 -183227.6781 -148950.4185 299.2446 74.2704 110.0484 556866.6027 -5.8372 -5.8652 PRESSURE: 1806600 237.162 166.783 206.461 166.784 172.007 -160.096 206.461 -160.095 108.894 GPRESSURE: 1806600 217.247 217.827 273.804 77.64 259.949 -167.6 117.922 -125.396 132.177 PRESSAVG: 1806600 -28.4168 -42.6291 29.5166 -42.6291 1.33233 -35.784 29.5164 -35.784 61.1926 GPRESSAVG: 1806600 -30.4554 -43.9004 31.4789 -41.5898 3.07467 -36.9613 27.9513 -36.757 61.3371 TIMING: 1806600 CPU: 5375.06, 0.00295626/step Wall: 5375.06, 0.00295626/step, 2.62236 hours remaining, 208.003906 MB of memory in use. ENERGY: 1806600 759.7487 2126.6434 1927.9130 99.6342 -206269.8676 17954.9264 0.0000 0.0000 34309.0395 -149091.9624 299.6294 -183401.0019 -148995.4881 299.4301 172.6878 203.1244 555650.4167 11.3694 11.3188 PRESSURE: 1806800 -203.377 -60.8642 265.675 -60.8638 -218.362 -59.92 265.674 -59.9189 -51.6384 GPRESSURE: 1806800 -146.957 19.5839 319.551 -81.5653 -165.398 -136.201 241.261 48.5628 -66.4094 PRESSAVG: 1806800 -4.67095 -3.85241 84.2052 -3.85243 3.41358 -6.7097 84.2052 -6.70965 -16.3799 GPRESSAVG: 1806800 -4.67507 -2.08688 84.8243 -5.99681 3.22982 -5.97943 83.4745 -4.21215 -16.7411 TIMING: 1806800 CPU: 5375.64, 0.00294041/step Wall: 5375.64, 0.00294041/step, 2.60814 hours remaining, 208.003906 MB of memory in use. ENERGY: 1806800 728.0157 2107.7046 1934.3267 101.8054 -205867.3108 17460.0588 0.0000 0.0000 34473.2333 -149062.1663 301.0633 -183535.3996 -148962.6775 299.4207 -157.7924 -126.2547 555606.6123 -5.8791 -6.0621 PRESSURE: 1807000 67.7655 47.33 113.535 47.3306 3.45158 17.5547 113.533 17.5542 150.988 GPRESSURE: 1807000 57.9967 73.1079 125.127 79.0251 23.0999 -120.209 110.062 67.8132 227.74 PRESSAVG: 1807000 -8.53769 41.4066 13.1184 41.4066 -22.7472 -28.1408 13.1184 -28.1407 -1.27923 GPRESSAVG: 1807000 -9.40446 42.8226 10.9926 41.8082 -22.9531 -30.0796 13.2039 -28.5314 -0.275076 TIMING: 1807000 CPU: 5376.23, 0.00294833/step Wall: 5376.23, 0.00294833/step, 2.61501 hours remaining, 208.003906 MB of memory in use. ENERGY: 1807000 757.1462 2093.2868 1945.6200 100.4863 -205892.3953 17770.4159 0.0000 0.0000 34365.9220 -148859.5180 300.1261 -183225.4400 -148764.8545 299.8118 74.0683 102.9454 557392.3202 -10.8547 -10.8775 PRESSURE: 1807200 242.44 8.81903 103.577 8.81774 -153.971 -18.3486 103.576 -18.347 15.2875 GPRESSURE: 1807200 271.402 25.4635 33.6768 -32.8758 -99.0342 12.0564 90.1862 -21.7958 46.7275 PRESSAVG: 1807200 16.7851 7.73788 -33.2319 7.73792 11.3178 10.2994 -33.2318 10.2994 1.90766 GPRESSAVG: 1807200 17.6169 9.35048 -34.3727 6.32319 11.3718 9.37943 -31.1966 9.64079 0.721049 TIMING: 1807200 CPU: 5376.82, 0.00294077/step Wall: 5376.82, 0.00294077/step, 2.60814 hours remaining, 208.003906 MB of memory in use. ENERGY: 1807200 720.4199 2069.1248 1947.1438 114.8218 -205939.8307 17805.6985 0.0000 0.0000 34293.3558 -148989.2660 299.4924 -183282.6218 -148891.9767 299.6562 34.5855 73.0320 558088.3235 10.0035 9.9032 PRESSURE: 1807400 139.552 -273.566 -1.22696 -273.565 60.1735 -41.7253 -1.22684 -41.7258 -81.2303 GPRESSURE: 1807400 155.752 -255.066 -50.8792 -330.408 121.926 -16.9614 0.677286 -84.4198 -62.2354 PRESSAVG: 1807400 9.34559 26.422 -14.3115 26.4221 -1.13102 34.2041 -14.3116 34.204 -65.0183 GPRESSAVG: 1807400 8.53423 23.6293 -11.9755 27.8372 -1.10104 36.996 -16.1539 34.1544 -63.7347 TIMING: 1807400 CPU: 5377.41, 0.00294014/step Wall: 5377.41, 0.00294014/step, 2.60742 hours remaining, 208.003906 MB of memory in use. ENERGY: 1807400 701.8787 2102.3810 1950.1494 120.2612 -206201.3981 17784.9369 0.0000 0.0000 34606.0598 -148935.7311 302.2233 -183541.7909 -148834.4300 300.1372 39.4985 71.8144 557716.5238 -18.9346 -18.7672 PRESSURE: 1807600 96.6281 -80.252 -76.5552 -80.2522 77.9335 88.554 -76.555 88.5546 144.561 GPRESSURE: 1807600 141.52 -85.707 -19.527 -83.399 122.171 77.274 -137.682 28.0081 158.555 PRESSAVG: 1807600 37.6216 -26.5174 4.22686 -26.5175 -24.557 14.2238 4.22694 14.2237 9.44665 GPRESSAVG: 1807600 38.4059 -25.9997 3.25779 -28.2461 -24.569 12.1414 2.69672 14.205 8.74957 TIMING: 1807600 CPU: 5378, 0.0029362/step Wall: 5378, 0.0029362/step, 2.60376 hours remaining, 208.003906 MB of memory in use. ENERGY: 1807600 729.0819 2075.6628 1963.4679 121.6541 -206155.1387 17893.8341 0.0000 0.0000 34406.7353 -148964.7027 300.4826 -183371.4380 -148868.6659 300.2435 106.3741 140.7483 556537.5106 7.5037 7.5288 PRESSURE: 1807800 -307.871 34.8415 77.8713 34.8436 -360.763 -52.5398 77.8714 -52.5389 -56.5765 GPRESSURE: 1807800 -195.28 -48.6083 101.692 14.542 -390.882 6.05164 22.8729 -46.8911 -48.9175 PRESSAVG: 1807800 -11.5814 -10.9432 32.7228 -10.9432 -33.9818 -4.45092 32.7228 -4.45082 17.946 GPRESSAVG: 1807800 -11.8897 -11.0474 32.9695 -10.5856 -35.16 -3.60761 33.3978 -3.96946 19.0438 TIMING: 1807800 CPU: 5378.58, 0.00293724/step Wall: 5378.58, 0.00293724/step, 2.60451 hours remaining, 208.003906 MB of memory in use. ENERGY: 1807800 719.0293 2126.9444 1965.6962 117.8345 -205472.7121 17353.5117 0.0000 0.0000 34162.8226 -149026.8733 298.3524 -183189.6959 -148939.0694 299.7689 -241.7367 -211.6931 558598.3121 -9.2057 -9.3353 PRESSURE: 1808000 1.57176 -51.8966 218.275 -51.8963 44.3117 115.264 218.275 115.264 158.657 GPRESSURE: 1808000 22.992 -159.82 283.032 -83.9384 46.6661 170.618 137.848 -0.457325 224.495 PRESSAVG: 1808000 81.6643 -19.6349 22.7677 -19.6349 -35.2553 -10.8861 22.7677 -10.8862 -44.4733 GPRESSAVG: 1808000 82.7379 -21.9628 21.4473 -18.7083 -35.7695 -11.4385 24.0174 -10.4469 -44.1742 TIMING: 1808000 CPU: 5379.17, 0.00291537/step Wall: 5379.17, 0.00291537/step, 2.58496 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: 1808000 740.6858 2058.6392 1980.3614 105.6547 -206131.9270 17959.8146 0.0000 0.0000 34413.3681 -148873.4031 300.5405 -183286.7712 -148784.4639 299.8652 68.1800 98.0509 557560.5758 0.6453 0.9314 PRESSURE: 1808200 80.549 94.9697 46.9344 94.969 -71.1324 50.2868 46.9331 50.2852 -132.23 GPRESSURE: 1808200 110.501 160.169 16.1515 93.0244 -47.1099 64.6801 63.0534 36.902 -87.9525 PRESSAVG: 1808200 2.92224 31.7606 119.03 31.7606 -51.5081 -33.491 119.03 -33.491 24.7753 GPRESSAVG: 1808200 2.71647 32.9598 122.032 32.3471 -50.3674 -32.1939 118.386 -34.5946 24.0594 TIMING: 1808200 CPU: 5379.75, 0.00293165/step Wall: 5379.75, 0.00293165/step, 2.59923 hours remaining, 208.003906 MB of memory in use. ENERGY: 1808200 735.3356 2091.8399 1966.3467 117.5103 -205960.4006 17644.9089 0.0000 0.0000 34590.1491 -148814.3101 302.0844 -183404.4592 -148715.0263 300.7099 -40.9377 -8.1871 557718.9425 -7.9368 -7.8639 LDB: ============= START OF LOAD BALANCING ============== 5383.18 LDB: ============== END OF LOAD BALANCING =============== 5383.18 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5383.18 LDB: ============= START OF LOAD BALANCING ============== 5383.47 LDB: Largest compute 4847 load 0.022159 is 18.8% of average load 0.117983 LDB: Average compute 0.001730 is 1.5% of average load 0.117983 LDB: TIME 5383.48 LOAD: AVG 0.117983 MAX 0.196023 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 5383.48 LOAD: AVG 0.117983 MAX 0.196023 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 5383.48 LOAD: AVG 0.117983 MAX 0.196023 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: ============== END OF LOAD BALANCING =============== 5383.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5383.48 PRESSURE: 1808400 27.0662 -85.177 -37.8075 -85.1766 70.2953 125.828 -37.8085 125.829 29.7896 GPRESSURE: 1808400 46.392 -109.278 -115.772 -67.3471 119.246 138.924 -48.6064 73.5748 61.6352 PRESSAVG: 1808400 25.0679 21.9996 71.0823 21.9995 -8.74231 -2.69103 71.0823 -2.69107 -2.77935 GPRESSAVG: 1808400 23.661 21.4658 68.6029 22.1408 -7.96819 -2.779 71.6664 -3.0866 -1.91207 TIMING: 1808400 CPU: 5380.35, 0.00299684/step Wall: 5380.35, 0.00299684/step, 2.65687 hours remaining, 205.425781 MB of memory in use. ENERGY: 1808400 751.4782 2167.5305 1948.3319 116.1135 -206238.4144 17914.6724 0.0000 0.0000 34444.7029 -148895.5851 300.8142 -183340.2880 -148804.3110 299.9216 42.3837 75.7578 558487.8261 4.5154 4.5936 PRESSURE: 1808600 -246.334 95.3434 -71.9247 95.3437 -120.811 -117.29 -71.9244 -117.289 106.945 GPRESSURE: 1808600 -207.998 39.4023 -32.4522 120.643 -87.3907 -139.343 -115.363 -104.468 129.108 PRESSAVG: 1808600 -1.01949 -30.4268 19.2024 -30.4269 39.7483 54.2411 19.2023 54.2411 -10.2068 GPRESSAVG: 1808600 0.0491851 -30.0537 18.4655 -30.8318 39.1057 55.6447 20.3847 55.5117 -11.0048 TIMING: 1808600 CPU: 5380.94, 0.00293632/step Wall: 5380.94, 0.00293632/step, 2.60305 hours remaining, 205.425781 MB of memory in use. ENERGY: 1808600 766.3272 2117.1848 1934.2055 127.5828 -206231.6658 17769.8526 0.0000 0.0000 34409.4219 -149107.0910 300.5060 -183516.5129 -149008.7257 299.6408 -86.7334 -55.4269 559081.7684 9.5073 9.3834 PRESSURE: 1808800 76.696 -14.3986 21.9046 -14.3974 -122.971 25.5043 21.9053 25.5016 -202.465 GPRESSURE: 1808800 119.931 -46.9181 -20.3628 38.2834 -83.1926 -26.9465 69.1371 -22.6459 -189.197 PRESSAVG: 1808800 -3.56165 40.1969 49.7797 40.1969 10.0411 55.4902 49.7797 55.4901 10.4261 GPRESSAVG: 1808800 -2.22231 39.7325 51.5023 38.7184 9.72327 52.7235 48.2288 56.091 9.89394 TIMING: 1808800 CPU: 5381.53, 0.00292387/step Wall: 5381.53, 0.00292387/step, 2.59184 hours remaining, 205.425781 MB of memory in use. ENERGY: 1808800 763.5386 2065.4048 1932.1031 111.7131 -206419.4284 17993.4465 0.0000 0.0000 34433.9162 -149119.3060 300.7200 -183553.2223 -149022.1944 299.8397 -82.9133 -50.8197 559078.6158 5.6352 5.7983 PRESSURE: 1809000 11.7762 47.2465 21.2007 47.2472 181.049 129.948 21.2004 129.948 240.625 GPRESSURE: 1809000 42.411 113.67 -36.0108 38.7216 243.139 86.651 26.7546 122.582 241.581 PRESSAVG: 1809000 16.8224 22.1793 37.8861 22.1794 -9.01963 1.89465 37.886 1.89463 -10.8545 GPRESSAVG: 1809000 15.7451 22.2872 37.4194 24.5838 -7.51341 1.95308 36.1931 0.756474 -11.0026 TIMING: 1809000 CPU: 5382.11, 0.00291735/step Wall: 5382.11, 0.00291735/step, 2.58591 hours remaining, 205.425781 MB of memory in use. ENERGY: 1809000 750.7361 2053.5237 1964.6116 116.6619 -206721.7306 18244.8832 0.0000 0.0000 34257.7288 -149333.5853 299.1813 -183591.3141 -149238.3758 299.5082 144.4835 175.7104 557238.4220 -1.0172 -0.9236 PRESSURE: 1809200 -243.153 -99.2829 -98.5446 -99.2841 178.351 74.3248 -98.5445 74.3243 21.2696 GPRESSURE: 1809200 -199.295 -88.6044 -148.11 -132.994 201.632 42.8297 -139.142 94.6112 40.2482 PRESSAVG: 1809200 -18.299 3.94548 -24.6336 3.94537 31.7172 34.4247 -24.6337 34.4248 6.11859 GPRESSAVG: 1809200 -18.4142 2.24951 -23.2908 4.3258 30.9079 35.4715 -22.9527 35.5167 7.00533 TIMING: 1809200 CPU: 5382.69, 0.00292609/step Wall: 5382.69, 0.00292609/step, 2.59349 hours remaining, 205.425781 MB of memory in use. ENERGY: 1809200 694.0989 2069.1646 1963.8108 98.7244 -206272.1091 17817.0128 0.0000 0.0000 34332.0530 -149297.2446 299.8304 -183629.2976 -149195.5766 299.1844 -14.5107 14.1949 557139.3487 6.5123 6.4997 PRESSURE: 1809400 -319.649 -43.8384 41.1754 -43.8376 164.236 115.126 41.1748 115.126 -55.5344 GPRESSURE: 1809400 -283.465 3.94581 73.2002 -48.0852 188.119 -15.2831 -1.54597 132.665 -19.7298 PRESSAVG: 1809400 -60.2697 -33.1812 10.863 -33.1811 15.4988 54.1232 10.863 54.1233 50.778 GPRESSAVG: 1809400 -59.3748 -31.1145 10.9521 -34.071 14.7657 52.7869 11.8771 54.3758 50.5623 TIMING: 1809400 CPU: 5383.28, 0.0029303/step Wall: 5383.28, 0.0029303/step, 2.59706 hours remaining, 205.425781 MB of memory in use. ENERGY: 1809400 727.5510 2080.5914 1941.8217 114.6256 -206360.4926 17859.5392 0.0000 0.0000 34430.4611 -149205.9026 300.6898 -183636.3637 -149106.7940 298.6700 -70.3159 -38.3588 558360.5451 2.0024 1.9844 PRESSURE: 1809600 179.499 -171.909 -203.234 -171.91 247.507 -59.8905 -203.236 -59.8897 78.6266 GPRESSURE: 1809600 264.107 -115.644 -235.532 -136.937 219.707 -39.9052 -253.289 -64.5141 128.435 PRESSAVG: 1809600 8.45958 -38.9046 -1.04149 -38.9045 -32.5798 52.2927 -1.04151 52.2929 52.3494 GPRESSAVG: 1809600 8.85285 -38.2585 -0.736247 -41.0243 -31.7772 52.1142 -3.77005 51.2354 51.6082 TIMING: 1809600 CPU: 5383.87, 0.00295483/step Wall: 5383.87, 0.00295483/step, 2.61863 hours remaining, 205.425781 MB of memory in use. ENERGY: 1809600 764.1427 2038.7555 1977.3419 109.2127 -206597.4715 18155.9159 0.0000 0.0000 34455.1272 -149096.9756 300.9052 -183552.1028 -148996.7510 300.6672 168.5443 204.0830 556951.3950 9.4097 9.5613 PRESSURE: 1809800 -92.7886 -91.5155 9.68719 -91.5147 88.0329 8.04597 9.68699 8.0464 -12.6331 GPRESSURE: 1809800 -87.2845 -56.2337 78.3719 -68.0014 115.47 8.60187 -56.2086 0.116976 58.4658 PRESSAVG: 1809800 11.5994 22.536 -3.87205 22.536 4.65905 -1.48026 -3.87212 -1.4802 -11.9167 GPRESSAVG: 1809800 9.88605 21.7286 -4.74846 23.8682 4.65014 -1.53991 -2.95402 0.012172 -10.5868 TIMING: 1809800 CPU: 5384.46, 0.00295275/step Wall: 5384.46, 0.00295275/step, 2.61663 hours remaining, 205.425781 MB of memory in use. ENERGY: 1809800 708.5227 2124.8884 1969.6653 108.1417 -206160.6814 17876.8143 0.0000 0.0000 34297.2604 -149075.3886 299.5265 -183372.6490 -148969.5172 300.2563 -5.7963 28.8839 560662.2747 1.4472 1.3165 PRESSURE: 1810000 -45.5501 30.3791 146.745 30.3803 -226.061 -17.451 146.745 -17.4511 14.0777 GPRESSURE: 1810000 34.6173 45.336 159.356 20.0485 -202.18 0.283369 116.997 -34.6591 2.48908 PRESSAVG: 1810000 34.0882 -2.61155 2.03574 -2.61164 -30.77 -35.3473 2.03579 -35.3472 6.61921 GPRESSAVG: 1810000 35.6468 -3.46646 2.20491 -0.111542 -30.7418 -34.9545 1.52141 -38.2503 4.68873 TIMING: 1810000 CPU: 5385.05, 0.00294607/step Wall: 5385.05, 0.00294607/step, 2.61054 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: 1810000 748.4083 2066.2863 1933.1082 113.2309 -206097.4528 17690.7280 0.0000 0.0000 34380.7494 -149164.9416 300.2556 -183545.6910 -149065.7978 299.2970 -85.8445 -55.0246 559746.3502 3.3125 3.1979 PRESSURE: 1810200 -3.33098 81.8792 -128.716 81.8803 -44.6903 9.96747 -128.716 9.96956 -222.332 GPRESSURE: 1810200 -25.9047 122.424 -55.4499 -12.8851 -9.00165 -84.6563 -181.697 -22.3989 -152.262 PRESSAVG: 1810200 63.0774 -1.41491 -56.6343 -1.41488 13.4376 -6.01212 -56.6342 -6.01211 -14.0121 GPRESSAVG: 1810200 63.0749 -0.674794 -56.0013 -1.79678 13.4124 -4.96477 -55.2523 -7.52898 -13.9096 TIMING: 1810200 CPU: 5385.65, 0.00297129/step Wall: 5385.65, 0.00297129/step, 2.63273 hours remaining, 205.425781 MB of memory in use. ENERGY: 1810200 736.8565 2075.2318 1947.6602 108.7081 -206126.4530 17802.0318 0.0000 0.0000 34136.4221 -149319.5424 298.1219 -183455.9645 -149218.5356 299.5337 -90.1179 -62.3893 560121.5651 20.8343 20.8592 PRESSURE: 1810400 -211.133 -91.9205 -23.8573 -91.9216 0.712044 108.085 -23.8562 108.085 -46.036 GPRESSURE: 1810400 -215.774 -143.042 -12.4405 -80.3085 25.637 17.1969 50.8831 139.261 48.3795 PRESSAVG: 1810400 -35.2568 -36.7677 -7.28315 -36.7677 45.0345 51.625 -7.28311 51.6251 -14.1819 GPRESSAVG: 1810400 -36.719 -37.7963 -6.60568 -37.7161 46.2707 49.9474 -6.8643 55.2566 -13.5682 TIMING: 1810400 CPU: 5386.23, 0.00294122/step Wall: 5386.23, 0.00294122/step, 2.60592 hours remaining, 205.425781 MB of memory in use. ENERGY: 1810400 749.2108 2089.6362 1933.9823 105.3214 -206329.7482 17807.1343 0.0000 0.0000 34273.1115 -149371.3519 299.3156 -183644.4633 -149271.7020 298.7514 -85.4857 -47.2525 557846.9469 -1.4681 -1.3389 PRESSURE: 1810600 188.376 -80.4327 -165.136 -80.432 -223.968 -133.221 -165.137 -133.221 -84.4791 GPRESSURE: 1810600 180.417 -69.0306 -120.657 -111.815 -192.593 -102.818 -216.09 -180.853 -18.35 PRESSAVG: 1810600 4.08037 -15.2157 -13.0987 -15.2157 9.74683 -23.2069 -13.0986 -23.2069 -8.57603 GPRESSAVG: 1810600 5.4772 -14.3148 -13.0109 -15.8683 8.70877 -21.982 -14.937 -23.9813 -8.87996 TIMING: 1810600 CPU: 5386.82, 0.00295105/step Wall: 5386.82, 0.00295105/step, 2.61446 hours remaining, 205.425781 MB of memory in use. ENERGY: 1810600 731.5928 2116.3829 1928.6125 108.8088 -206253.5016 17730.7533 0.0000 0.0000 34295.9778 -149341.3735 299.5153 -183637.3513 -149245.0971 299.0721 -40.0235 -10.1753 556532.7172 1.7504 1.7687 PRESSURE: 1810800 68.6317 -108.459 53.9812 -108.46 -39.868 153.239 53.9811 153.238 125.542 GPRESSURE: 1810800 81.8588 -162.734 67.3807 -21.2521 41.5522 255.156 -72.3326 109.188 121.929 PRESSAVG: 1810800 -14.3433 2.16659 31.9512 2.1666 127.378 -61.6266 31.9512 -61.6268 -59.9253 GPRESSAVG: 1810800 -14.0564 2.59583 31.392 2.40477 128.568 -60.7967 33.1524 -62.4889 -60.9695 TIMING: 1810800 CPU: 5387.41, 0.00295269/step Wall: 5387.41, 0.00295269/step, 2.61575 hours remaining, 205.425781 MB of memory in use. ENERGY: 1810800 747.5738 2091.4130 1933.8109 110.5838 -206366.7867 17948.5219 0.0000 0.0000 34265.1778 -149269.7055 299.2463 -183534.8833 -149167.5489 299.2850 51.4351 81.7801 557871.3751 17.7032 17.8474 PRESSURE: 1811000 -50.4329 -16.7077 156.975 -16.7095 42.3768 -120.254 156.976 -120.252 -13.4766 GPRESSURE: 1811000 -67.1922 -38.4474 179.995 13.463 116.127 -90.4234 145.05 -119.904 19.0122 PRESSAVG: 1811000 44.1029 -2.0711 -24.0653 -2.07114 -13.8108 -23.3334 -24.0652 -23.3333 -21.798 GPRESSAVG: 1811000 43.9095 -1.73411 -23.722 -0.409174 -14.5954 -24.2043 -23.8412 -22.8266 -20.7506 TIMING: 1811000 CPU: 5388, 0.00295307/step Wall: 5388, 0.00295307/step, 2.61592 hours remaining, 205.425781 MB of memory in use. ENERGY: 1811000 744.3262 2130.6506 1957.4856 118.2356 -206220.2109 17902.0275 0.0000 0.0000 34292.0205 -149075.4649 299.4807 -183367.4854 -148979.8632 299.5771 -7.1775 22.6489 558076.0821 2.8314 2.8545 PRESSURE: 1811200 -139.835 -37.7027 -12.2688 -37.7019 76.3605 6.46241 -12.2695 6.46376 -115.759 GPRESSURE: 1811200 -100.068 -38.1029 -20.4964 -71.0205 155.546 -32.0719 -31.6595 88.4016 -128.332 PRESSAVG: 1811200 -39.8224 28.8997 -6.22197 28.8997 5.76927 5.53897 -6.22197 5.5389 35.6209 GPRESSAVG: 1811200 -40.5668 28.279 -9.50041 28.9742 5.0785 5.02837 -6.79572 6.08761 36.9937 TIMING: 1811200 CPU: 5388.6, 0.00298724/step Wall: 5388.6, 0.00298724/step, 2.64603 hours remaining, 205.425781 MB of memory in use. ENERGY: 1811200 756.1567 2081.3782 1923.9000 124.5549 -206087.1463 17789.0122 0.0000 0.0000 34345.2780 -149066.8664 299.9459 -183412.1444 -148969.6880 299.5993 -59.7447 -24.2846 558428.1373 0.5226 0.5018 PRESSURE: 1811400 -184.583 -57.9424 -6.67781 -57.9427 148.225 -103.051 -6.67889 -103.05 -224.593 GPRESSURE: 1811400 -94.0005 1.44004 33.4215 -54.3445 172.427 -116.92 -14.4734 -145.838 -248.723 PRESSAVG: 1811400 3.38518 9.99094 -24.47 9.99094 77.3038 -35.5207 -24.47 -35.5207 -27.1804 GPRESSAVG: 1811400 3.79798 11.6904 -20.922 9.22212 77.3653 -33.4765 -26.1703 -38.3042 -27.9223 TIMING: 1811400 CPU: 5389.2, 0.00296959/step Wall: 5389.2, 0.00296959/step, 2.63023 hours remaining, 205.425781 MB of memory in use. ENERGY: 1811400 728.0056 2099.4631 1950.8265 122.8193 -206106.2190 17767.9538 0.0000 0.0000 34184.6802 -149252.4703 298.5433 -183437.1505 -149159.6028 299.4041 -86.9838 -56.7655 557897.8834 17.8362 17.7470 PRESSURE: 1811600 -334.218 54.6753 -21.4516 54.6745 -139.629 -96.117 -21.4513 -96.1172 -97.2446 GPRESSURE: 1811600 -291.236 36.3274 33.4129 36.6695 -89.0797 -91.781 22.8624 -56.503 -93.0352 PRESSAVG: 1811600 33.3956 -8.91189 31.2646 -8.91191 87.3738 -75.009 31.2646 -75.009 -73.1675 GPRESSAVG: 1811600 33.3658 -8.56546 28.1504 -9.1595 86.8211 -76.5412 35.9346 -73.6347 -72.5191 TIMING: 1811600 CPU: 5389.79, 0.00296313/step Wall: 5389.79, 0.00296313/step, 2.62434 hours remaining, 205.425781 MB of memory in use. ENERGY: 1811600 725.2330 2089.9171 1964.9698 113.9815 -206091.1021 17505.4872 0.0000 0.0000 34344.5849 -149346.9286 299.9398 -183691.5135 -149247.9336 299.3143 -190.3636 -157.7835 557598.1996 15.8673 15.8893 PRESSURE: 1811800 -199.816 -51.8443 181.039 -51.8452 121.02 -19.442 181.038 -19.4428 160.662 GPRESSURE: 1811800 -190.877 -50.3194 142.971 -17.513 191.605 -44.8508 146.198 -0.345099 183.3 PRESSAVG: 1811800 -29.9687 6.6988 6.99307 6.69872 7.78268 19.7045 6.99311 19.7045 31.8351 GPRESSAVG: 1811800 -30.2208 8.91275 8.23633 4.48873 9.56585 20.9636 3.42942 18.0424 30.6262 TIMING: 1811800 CPU: 5390.38, 0.00296991/step Wall: 5390.38, 0.00296991/step, 2.63019 hours remaining, 205.425781 MB of memory in use. ENERGY: 1811800 746.0255 2082.6409 1956.8406 128.1954 -206496.9721 17941.7329 0.0000 0.0000 34398.2899 -149243.2471 300.4088 -183641.5370 -149142.1063 299.6183 27.2889 61.3426 557886.8857 3.2163 3.3237 PRESSURE: 1812000 22.9405 54.3455 104.05 54.3458 223.558 -205.824 104.051 -205.825 -123.139 GPRESSURE: 1812000 115.737 -21.2025 80.0515 124.522 209.485 -207.435 135.041 -130.831 -119.45 PRESSAVG: 1812000 -4.52753 -37.076 48.3647 -37.076 39.7701 -4.3993 48.3647 -4.3992 -4.7654 GPRESSAVG: 1812000 -3.71398 -40.679 49.5378 -35.3631 38.1272 -5.28145 47.9625 -3.74643 -3.68365 TIMING: 1812000 CPU: 5390.98, 0.00297332/step Wall: 5390.98, 0.00297332/step, 2.63304 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: 1812000 758.8886 2073.3770 1932.9704 123.2317 -206705.2593 18047.1253 0.0000 0.0000 34517.6162 -149252.0501 301.4509 -183769.6663 -149144.5635 299.3402 41.1197 68.5906 557073.5645 10.1590 10.2432 PRESSURE: 1812200 -245.654 -109.028 32.5271 -109.029 -90.0228 -38.6047 32.5274 -38.6052 -94.3205 GPRESSURE: 1812200 -202.05 -74.01 -13.1034 -61.5607 -60.7159 30.4975 -6.27122 -5.63166 -66.9915 PRESSAVG: 1812200 6.71326 7.71182 17.4865 7.71184 21.874 39.4241 17.4865 39.424 -20.8924 GPRESSAVG: 1812200 6.51329 8.16673 16.4188 9.05571 21.9897 40.2098 17.6238 39.4773 -20.6694 TIMING: 1812200 CPU: 5391.58, 0.0030042/step Wall: 5391.58, 0.0030042/step, 2.66022 hours remaining, 205.425781 MB of memory in use. ENERGY: 1812200 743.6666 2100.8312 1958.6972 111.6725 -206127.1713 17689.3601 0.0000 0.0000 34181.2586 -149341.6852 298.5134 -183522.9438 -149237.0220 299.6135 -143.3325 -109.9191 558895.2038 2.5650 2.6112 LDB: ============= START OF LOAD BALANCING ============== 5395.01 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5395.01 LDB: =============== DONE WITH MIGRATION ================ 5395.01 LDB: ============= START OF LOAD BALANCING ============== 5395.31 LDB: Largest compute 4846 load 0.021438 is 18.2% of average load 0.118057 LDB: Average compute 0.001730 is 1.5% of average load 0.118057 LDB: TIME 5395.31 LOAD: AVG 0.118057 MAX 0.201081 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 5395.31 LOAD: AVG 0.118057 MAX 0.201081 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.629 MB LDB: TIME 5395.31 LOAD: AVG 0.118057 MAX 0.201081 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.629 MB LDB: ============== END OF LOAD BALANCING =============== 5395.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5395.31 PRESSURE: 1812400 -78.5598 119.615 66.077 119.617 101.624 -14.2474 66.0761 -14.2473 137.826 GPRESSURE: 1812400 -62.662 121.234 104.457 82.3037 84.7403 1.97065 53.9094 25.7081 238.514 PRESSAVG: 1812400 16.4199 -36.8494 37.5768 -36.8494 19.6227 -45.8744 37.5768 -45.8744 -24.9967 GPRESSAVG: 1812400 15.8349 -37.6806 36.9585 -36.8719 18.8876 -48.2753 38.6743 -43.7634 -23.9228 TIMING: 1812400 CPU: 5392.19, 0.00303618/step Wall: 5392.19, 0.00303618/step, 2.68837 hours remaining, 204.914062 MB of memory in use. ENERGY: 1812400 775.9970 2092.1168 1944.6267 111.4764 -206427.6351 17896.6914 0.0000 0.0000 34341.4574 -149265.2696 299.9125 -183606.7270 -149171.2426 299.3463 53.6303 86.8640 556300.5096 3.6820 3.5999 PRESSURE: 1812600 48.5661 85.7143 237.317 85.7154 -165.313 -74.7232 237.319 -74.7227 85.2022 GPRESSURE: 1812600 36.209 70.9836 268.594 83.1784 -101.038 -85.192 217.787 -48.1107 138.28 PRESSAVG: 1812600 -32.5127 -1.17567 58.4438 -1.1757 0.564933 6.4012 58.4438 6.40125 13.53 GPRESSAVG: 1812600 -31.4998 -1.49863 58.8913 -1.06164 0.787706 6.42968 59.6678 6.26163 12.4153 TIMING: 1812600 CPU: 5392.78, 0.00297131/step Wall: 5392.78, 0.00297131/step, 2.63077 hours remaining, 204.914062 MB of memory in use. ENERGY: 1812600 769.6218 2109.5464 1973.2069 106.0225 -206426.2218 17828.9666 0.0000 0.0000 34339.0490 -149299.8087 299.8915 -183638.8577 -149209.1821 299.1120 -10.5150 24.4837 557069.9611 -6.1392 -6.0989 PRESSURE: 1812800 -346.41 -41.0974 72.5793 -41.0977 -207.464 -19.4782 72.5806 -19.4794 -112.388 GPRESSURE: 1812800 -292.136 12.485 39.247 -73.2645 -189.044 -2.58508 59.9164 -44.7038 -92.2842 PRESSAVG: 1812800 -15.9697 43.2824 19.1321 43.2824 -4.91396 -19.7671 19.1321 -19.7672 20.6489 GPRESSAVG: 1812800 -17.3001 44.7126 20.2385 44.1187 -3.87259 -20.9058 17.6809 -19.9683 21.3202 TIMING: 1812800 CPU: 5393.38, 0.00298633/step Wall: 5393.38, 0.00298633/step, 2.6439 hours remaining, 204.914062 MB of memory in use. ENERGY: 1812800 752.7212 2111.8267 1928.9843 101.7841 -205743.9718 17521.5494 0.0000 0.0000 34208.9492 -149118.1569 298.7553 -183327.1061 -149030.4718 298.7119 -222.0872 -191.1547 559181.9696 -0.0783 0.0492 PRESSURE: 1813000 -100.181 31.0803 -156.401 31.0805 72.1975 -221.744 -156.4 -221.744 7.4348 GPRESSURE: 1813000 -101.52 14.9766 -152.929 89.4063 97.521 -288.149 -183.789 -247.176 62.4352 PRESSAVG: 1813000 -57.5833 49.0735 -23.9766 49.0735 -6.44436 -54.3089 -23.9766 -54.3088 59.1966 GPRESSAVG: 1813000 -57.3006 49.2078 -24.2254 47.5864 -6.20529 -53.4082 -23.0401 -54.4268 58.9893 TIMING: 1813000 CPU: 5393.97, 0.00298792/step Wall: 5393.97, 0.00298792/step, 2.64514 hours remaining, 204.914062 MB of memory in use. ENERGY: 1813000 754.2266 2091.2439 1971.3408 117.0815 -206501.6409 17884.5043 0.0000 0.0000 34333.6068 -149349.6370 299.8439 -183683.2438 -149254.0042 299.0043 -6.8494 19.4788 558347.1545 -1.6104 -1.5055 PRESSURE: 1813200 -168.504 -98.2105 -86.5786 -98.2108 -159.689 15.4245 -86.5805 15.4241 -134.482 GPRESSURE: 1813200 -89.9504 -77.8751 -117.35 -159.031 -173.697 74.2071 -78.1459 8.12452 -92.3699 PRESSAVG: 1813200 -14.2644 45.4456 -67.0385 45.4455 -18.3618 2.88236 -67.0385 2.88243 21.5161 GPRESSAVG: 1813200 -13.7111 44.8761 -68.7989 46.12 -19.1364 4.08884 -66.7974 3.24656 21.6009 TIMING: 1813200 CPU: 5394.57, 0.0029676/step Wall: 5394.57, 0.0029676/step, 2.62698 hours remaining, 204.914062 MB of memory in use. ENERGY: 1813200 739.3491 2074.7310 1936.6202 115.2895 -206226.9629 17709.4472 0.0000 0.0000 34284.4817 -149367.0443 299.4149 -183651.5260 -149268.1945 299.1760 -154.2249 -118.6723 558135.1728 -3.7034 -3.7489 PRESSURE: 1813400 102.188 -96.7917 36.6164 -96.7895 51.0286 219.174 36.6156 219.174 -247.285 GPRESSURE: 1813400 122.32 -85.5561 -29.5427 -54.5533 119.312 156.439 161.646 300.994 -237.827 PRESSAVG: 1813400 9.55381 -9.9324 1.0998 -9.93246 1.1313 -29.2703 1.0998 -29.2704 -40.3945 GPRESSAVG: 1813400 7.54733 -9.07468 2.19926 -10.4472 1.99561 -29.5472 2.33493 -28.1136 -39.8272 TIMING: 1813400 CPU: 5395.17, 0.00298612/step Wall: 5395.17, 0.00298612/step, 2.64321 hours remaining, 204.914062 MB of memory in use. ENERGY: 1813400 758.4346 2112.8864 1934.9864 105.1344 -206550.9005 17961.0936 0.0000 0.0000 34159.8929 -149518.4724 298.3268 -183678.3653 -149417.7924 299.1328 -31.3563 1.2683 556639.0005 -9.9031 -10.0947 PRESSURE: 1813600 -199.832 -158.562 32.1571 -158.561 -73.8691 -1.67096 32.1572 -1.67223 -96.0614 GPRESSURE: 1813600 -181.88 -88.0752 26.246 -133.313 9.0427 81.4074 91.4558 -27.4471 -101.018 PRESSAVG: 1813600 67.2338 -39.5006 16.7032 -39.5006 -0.272787 -7.96496 16.7033 -7.96499 -52.7509 GPRESSAVG: 1813600 69.2001 -39.5881 17.7468 -39.3161 0.782695 -8.51321 14.035 -7.25933 -55.3346 TIMING: 1813600 CPU: 5395.76, 0.00297447/step Wall: 5395.76, 0.00297447/step, 2.63273 hours remaining, 204.914062 MB of memory in use. ENERGY: 1813600 766.5147 2092.0228 1934.6635 106.6406 -206330.1520 17745.4319 0.0000 0.0000 34215.1258 -149469.7527 298.8092 -183684.8785 -149373.2041 299.2069 -123.2541 -91.2851 556502.6879 4.7367 4.8827 PRESSURE: 1813800 37.7273 7.14769 -77.7176 7.14698 141.76 210.656 -77.7172 210.658 -150.797 GPRESSURE: 1813800 39.4914 -28.8086 -104.866 -5.04104 179.228 151.962 -23.7733 250.569 -90.6978 PRESSAVG: 1813800 -55.4651 16.1471 10.6777 16.1471 42.2818 40.0391 10.6776 40.0389 -15.8856 GPRESSAVG: 1813800 -55.2573 15.8118 8.79377 15.8631 41.8563 40.1256 11.4829 38.3931 -15.077 TIMING: 1813800 CPU: 5396.35, 0.00296804/step Wall: 5396.35, 0.00296804/step, 2.62688 hours remaining, 204.914062 MB of memory in use. ENERGY: 1813800 742.6359 2082.7276 1956.3565 105.5283 -206485.5387 17787.4207 0.0000 0.0000 34479.5782 -149331.2914 301.1187 -183810.8697 -149226.2227 298.9104 9.5632 42.6740 555647.4016 -9.6896 -9.4927 PRESSURE: 1814000 -213.564 130.516 -143.938 130.517 -147.52 100.223 -143.937 100.223 -106.707 GPRESSURE: 1814000 -196 93.5514 -33.2653 161.115 -93.7316 120.083 -144.395 119.579 -86.1439 PRESSAVG: 1814000 -54.0695 26.7546 -96.276 26.7545 -5.71247 34.9994 -96.276 34.9993 56.0151 GPRESSAVG: 1814000 -54.7074 24.0185 -95.4242 29.275 -5.85234 34.0788 -95.7583 35.4644 56.6206 TIMING: 1814000 CPU: 5396.95, 0.00298704/step Wall: 5396.95, 0.00298704/step, 2.64353 hours remaining, 204.914062 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: 1814000 713.7005 2142.9942 1941.9141 119.9648 -206020.4090 17591.0036 0.0000 0.0000 34142.1286 -149368.7033 298.1717 -183510.8318 -149275.5710 299.4079 -155.9303 -125.2917 558116.5990 -1.2556 -1.3130 PRESSURE: 1814200 -242.638 47.9524 -79.9719 47.9545 -22.9017 -42.5606 -79.9715 -42.5598 -400.493 GPRESSURE: 1814200 -162.593 35.0136 -101.945 23.7357 -23.3832 -111.868 -128.209 -66.1509 -374.635 PRESSAVG: 1814200 -27.8164 -19.9798 2.89498 -19.9797 11.8568 24.4364 2.89509 24.4364 36.028 GPRESSAVG: 1814200 -27.3817 -15.6447 2.74807 -23.9155 12.3871 26.2202 1.04505 25.5754 35.3276 TIMING: 1814200 CPU: 5397.55, 0.00297819/step Wall: 5397.55, 0.00297819/step, 2.63553 hours remaining, 204.914062 MB of memory in use. ENERGY: 1814200 736.8472 2070.6633 1915.2830 115.9044 -205942.6807 17495.6255 0.0000 0.0000 34135.2799 -149473.0773 298.1119 -183608.3571 -149373.4287 298.4773 -222.0107 -186.8706 556273.8013 6.6895 6.7777 PRESSURE: 1814400 113.809 -99.2073 100.822 -99.2068 157.079 9.33721 100.821 9.33722 -31.2827 GPRESSURE: 1814400 146.675 -77.5488 172.689 -77.4843 150.885 54.505 36.6356 46.8389 37.0923 PRESSAVG: 1814400 -10.0498 -42.8226 12.3696 -42.8225 -7.34061 -51.3599 12.3697 -51.3599 30.1017 GPRESSAVG: 1814400 -8.94128 -43.6165 10.7881 -42.3725 -8.36693 -49.4649 15.107 -52.6531 30.709 TIMING: 1814400 CPU: 5398.14, 0.00298034/step Wall: 5398.14, 0.00298034/step, 2.63727 hours remaining, 204.914062 MB of memory in use. ENERGY: 1814400 752.4788 2059.4247 1928.4729 108.6406 -206566.0269 17990.7053 0.0000 0.0000 34304.2199 -149422.0847 299.5873 -183726.3047 -149328.7200 298.9897 79.8682 111.5507 557658.0474 4.2371 4.4669 PRESSURE: 1814600 -185.205 -37.7526 41.8007 -37.7537 78.587 97.0204 41.799 97.0204 52.6988 GPRESSURE: 1814600 -152.257 10.7152 -4.63201 -17.5654 116.69 92.1974 77.4109 69.2852 81.486 PRESSAVG: 1814600 0.208255 -50.0814 27.6848 -50.0815 -26.6677 42.2487 27.6848 42.2486 13.3718 GPRESSAVG: 1814600 -0.222377 -51.6595 29.9982 -49.0049 -26.1386 40.1423 27.0859 43.6457 13.8905 TIMING: 1814600 CPU: 5398.74, 0.00297292/step Wall: 5398.74, 0.00297292/step, 2.63054 hours remaining, 204.914062 MB of memory in use. ENERGY: 1814600 776.4206 2096.2833 1948.8932 104.4980 -206375.8489 17967.0751 0.0000 0.0000 33991.2069 -149491.4719 296.8537 -183482.6787 -149396.2387 298.6866 -17.9730 15.3065 558532.0300 -4.3625 -4.1568 PRESSURE: 1814800 -46.4714 79.5111 -87.5939 79.5118 -168.494 -159.808 -87.5939 -159.809 -246.307 GPRESSURE: 1814800 3.84598 51.4293 -115.067 95.6746 -145.96 -135.895 -31.3088 -189.279 -227.499 PRESSAVG: 1814800 -15.6391 -29.2674 32.008 -29.2673 -26.8795 23.3597 32.008 23.3596 34.0946 GPRESSAVG: 1814800 -16.1497 -29.5187 31.8288 -27.3439 -26.2727 23.7003 32.5493 21.8946 33.7542 TIMING: 1814800 CPU: 5399.33, 0.00296132/step Wall: 5399.33, 0.00296132/step, 2.62011 hours remaining, 204.914062 MB of memory in use. ENERGY: 1814800 739.0033 2055.3386 1947.0535 98.1656 -205912.6674 17580.7345 0.0000 0.0000 34062.9173 -149429.4546 297.4799 -183492.3719 -149328.1182 298.7181 -153.7577 -123.2043 559521.5142 -2.8080 -2.8894 PRESSURE: 1815000 93.7369 15.4766 -54.1033 15.4766 379.028 66.5726 -54.1051 66.5722 224.309 GPRESSURE: 1815000 173.03 46.0613 -114.635 73.266 379.375 95.805 57.2463 41.9912 240.447 PRESSAVG: 1815000 -30.4985 -4.2859 -20.9347 -4.28588 0.509237 30.8392 -20.9348 30.8392 33.3378 GPRESSAVG: 1815000 -30.16 -3.25811 -18.7636 -6.13129 -0.398213 29.9563 -22.7907 31.4035 33.8115 TIMING: 1815000 CPU: 5399.92, 0.00297247/step Wall: 5399.92, 0.00297247/step, 2.62981 hours remaining, 204.914062 MB of memory in use. ENERGY: 1815000 711.1571 2066.5439 1920.3454 108.9643 -206639.3531 18238.4934 0.0000 0.0000 34148.5813 -149445.2675 298.2281 -183593.8489 -149347.2047 298.5531 232.3580 264.2839 557786.3077 1.1162 1.0844 PRESSURE: 1815200 -98.635 94.5731 16.0268 94.5731 -38.1161 21.1569 16.0256 21.1579 291.005 GPRESSURE: 1815200 -93.8852 71.7292 25.5962 126.779 33.381 70.3097 106.13 74.3299 289.204 PRESSAVG: 1815200 -23.4949 -33.2305 2.08393 -33.2304 17.7773 79.8282 2.0838 79.8283 -3.55717 GPRESSAVG: 1815200 -24.1766 -33.7043 -0.210651 -34.5221 18.862 80.6656 5.21451 79.3387 -4.09801 TIMING: 1815200 CPU: 5400.52, 0.00295825/step Wall: 5400.52, 0.00295825/step, 2.61706 hours remaining, 204.914062 MB of memory in use. ENERGY: 1815200 761.5464 2136.1642 1931.3138 105.8330 -206727.7623 18140.3508 0.0000 0.0000 34174.1708 -149478.3833 298.4515 -183652.5542 -149389.8682 298.3112 51.4180 76.2334 558938.2479 -3.0916 -3.1375 PRESSURE: 1815400 -318.988 76.854 132.995 76.8551 -203.582 -3.45939 132.995 -3.46041 -35.5837 GPRESSURE: 1815400 -278.977 136.529 142.238 30.7658 -156.236 -20.6778 84.0918 -37.1887 -28.6794 PRESSAVG: 1815400 10.6836 -26.9662 -25.7305 -26.9663 -9.27249 8.43679 -25.7305 8.43679 25.849 GPRESSAVG: 1815400 10.6362 -27.6884 -25.317 -25.1033 -9.4729 6.09118 -26.4637 9.44624 26.371 TIMING: 1815400 CPU: 5401.11, 0.00297696/step Wall: 5401.11, 0.00297696/step, 2.63345 hours remaining, 204.914062 MB of memory in use. ENERGY: 1815400 741.8748 2021.7827 1937.4210 128.1446 -205940.6155 17434.3543 0.0000 0.0000 34283.5671 -149393.4710 299.4069 -183677.0381 -149293.1153 298.5665 -186.0512 -154.6309 558285.1103 9.0867 9.1781 PRESSURE: 1815600 66.3844 35.5256 21.6228 35.5252 -125.02 -133.881 21.624 -133.883 171.842 GPRESSURE: 1815600 117.688 73.9744 63.3292 -4.59358 -98.1096 -57.2978 12.841 -129.65 176.898 PRESSAVG: 1815600 72.8828 14.1234 24.6954 14.1234 -55.0535 14.7602 24.6952 14.7602 -8.96506 GPRESSAVG: 1815600 73.0036 17.14 24.6825 13.5605 -55.0564 15.8529 23.0982 14.7996 -9.06809 TIMING: 1815600 CPU: 5401.7, 0.00295883/step Wall: 5401.7, 0.00295883/step, 2.61725 hours remaining, 204.914062 MB of memory in use. ENERGY: 1815600 755.1190 2135.9819 1937.7931 104.4228 -206649.0961 18027.0721 0.0000 0.0000 34384.6221 -149304.0852 300.2895 -183688.7073 -149205.4238 298.9127 37.7358 65.4920 558219.9673 2.9547 2.9597 PRESSURE: 1815800 -194.91 66.3796 68.4717 66.3803 -105.253 43.1322 68.472 43.1323 176.95 GPRESSURE: 1815800 -238.083 52.1774 118.546 96.4634 -27.1305 12.481 46.8083 48.373 234.721 PRESSAVG: 1815800 -22.2994 35.4663 5.73917 35.4663 -3.31397 -0.885895 5.73908 -0.885897 57.4269 GPRESSAVG: 1815800 -21.9423 33.8799 7.77378 34.0815 -3.7899 -0.376559 4.61526 -1.06442 57.2059 TIMING: 1815800 CPU: 5402.3, 0.00297129/step Wall: 5402.3, 0.00297129/step, 2.6281 hours remaining, 204.914062 MB of memory in use. ENERGY: 1815800 760.3325 2100.9500 1924.9539 105.2435 -206197.3246 17846.4963 0.0000 0.0000 34162.0754 -149297.2729 298.3459 -183459.3483 -149199.6065 299.3441 -41.0708 -10.1642 558816.6685 10.6045 10.4912 PRESSURE: 1816000 -200.885 24.5954 137.996 24.5954 -71.8271 -130.242 137.996 -130.242 -453.547 GPRESSURE: 1816000 -164.516 90.6439 163.615 56.004 -73.5449 -120.758 140.865 -52.041 -394.77 PRESSAVG: 1816000 -42.1355 -50.9998 22.2566 -50.9998 55.4803 -23.757 22.2567 -23.757 0.856264 GPRESSAVG: 1816000 -43.0605 -50.8937 19.6417 -49.45 55.4052 -24.8893 23.0838 -22.885 2.14844 TIMING: 1816000 CPU: 5402.89, 0.00295709/step Wall: 5402.89, 0.00295709/step, 2.61538 hours remaining, 204.914062 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: 1816000 760.8902 2084.4871 1947.7156 107.8953 -206031.7915 17546.9792 0.0000 0.0000 34186.3197 -149397.5045 298.5576 -183583.8242 -149301.6334 298.7733 -242.0861 -210.9437 558093.4290 4.7337 4.8311 PRESSURE: 1816200 -25.6198 -49.0926 34.6288 -49.0919 -132.997 36.0722 34.628 36.073 64.053 GPRESSURE: 1816200 -43.6776 -43.2593 36.2049 -46.2302 -32.3726 62.3877 49.9228 -6.19325 79.789 PRESSAVG: 1816200 -0.94679 66.4452 4.51424 66.4452 -16.4944 24.1773 4.5142 24.1773 36.0725 GPRESSAVG: 1816200 -0.223866 65.595 5.09441 65.6122 -16.2258 24.876 2.946 24.5131 34.9297 TIMING: 1816200 CPU: 5403.48, 0.00295167/step Wall: 5403.48, 0.00295167/step, 2.61042 hours remaining, 204.914062 MB of memory in use. ENERGY: 1816200 755.7427 2082.1154 1938.0401 106.6057 -206152.2905 17842.9365 0.0000 0.0000 34213.1166 -149213.7335 298.7917 -183426.8501 -149122.0321 298.4677 -31.5214 1.2463 558120.3608 6.2104 6.1600 LDB: ============= START OF LOAD BALANCING ============== 5406.91 LDB: ============== END OF LOAD BALANCING =============== 5406.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5406.91 LDB: ============= START OF LOAD BALANCING ============== 5407.21 LDB: Largest compute 4847 load 0.023303 is 19.7% of average load 0.118039 LDB: Average compute 0.001731 is 1.5% of average load 0.118039 LDB: TIME 5407.21 LOAD: AVG 0.118039 MAX 0.199388 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.449 MB LDB: TIME 5407.21 LOAD: AVG 0.118039 MAX 0.199388 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: TIME 5407.21 LOAD: AVG 0.118039 MAX 0.199388 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5407.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5407.22 PRESSURE: 1816400 131.75 31.7829 -70.4764 31.782 -49.4494 -93.0922 -70.4766 -93.0912 -234.925 GPRESSURE: 1816400 121.812 18.2868 5.14998 -34.1743 46.5044 -122.466 -112.2 -109.999 -241.511 PRESSAVG: 1816400 -7.53802 13.4063 1.99614 13.4062 4.58618 49.9918 1.9962 49.9916 26.2537 GPRESSAVG: 1816400 -6.97399 14.2077 2.31514 14.2216 4.38792 50.2105 4.27369 49.8324 26.1931 TIMING: 1816400 CPU: 5404.09, 0.00303774/step Wall: 5404.09, 0.00303774/step, 2.68637 hours remaining, 205.226562 MB of memory in use. ENERGY: 1816400 778.2063 2080.4301 1940.3161 120.5182 -206235.1830 17726.6844 0.0000 0.0000 34380.3904 -149208.6375 300.2525 -183589.0279 -149107.4214 298.9450 -50.8745 -24.3982 555977.8869 7.7673 7.8690 PRESSURE: 1816600 -172.789 17.0272 55.0348 17.0278 27.3758 -283.528 55.0352 -283.526 61.5853 GPRESSURE: 1816600 -91.976 0.733334 100.996 3.96632 15.0404 -241.493 7.74216 -216.85 97.4221 PRESSAVG: 1816600 26.2399 47.3671 -6.45903 47.3671 20.1697 -1.39655 -6.45902 -1.39645 -20.6474 GPRESSAVG: 1816600 27.0607 46.6656 -6.26077 47.6206 20.2508 -1.64304 -7.32958 0.367503 -21.3028 TIMING: 1816600 CPU: 5404.68, 0.00296313/step Wall: 5404.68, 0.00296313/step, 2.62023 hours remaining, 205.226562 MB of memory in use. ENERGY: 1816600 730.9652 2102.4150 1924.9020 119.3286 -206141.7734 17704.3512 0.0000 0.0000 34125.9557 -149433.8557 298.0305 -183559.8114 -149333.5411 299.1765 -27.9425 6.8288 556125.9214 8.5874 8.6696 PRESSURE: 1816800 276.132 -10.4374 -24.1582 -10.4375 400.09 7.15323 -24.1587 7.15429 305.236 GPRESSURE: 1816800 292.784 -33.8139 -12.0878 100.315 437.522 43.332 -56.579 48.0102 360.479 PRESSAVG: 1816800 30.3782 52.7217 7.35056 52.7217 -5.88981 34.1722 7.35056 34.1721 16.1139 GPRESSAVG: 1816800 27.4521 53.6021 9.16814 51.2175 -4.21978 33.6342 6.52872 32.8763 17.3149 TIMING: 1816800 CPU: 5405.27, 0.00296953/step Wall: 5405.27, 0.00296953/step, 2.62573 hours remaining, 205.226562 MB of memory in use. ENERGY: 1816800 702.8745 2087.6517 1962.3441 102.3880 -206951.5153 18316.6311 0.0000 0.0000 34344.6597 -149434.9661 299.9405 -183779.6259 -149339.1163 299.1605 327.1526 363.5950 555893.5181 13.5341 13.5157 PRESSURE: 1817000 55.64 -1.73413 -47.8603 -1.73454 -144.216 -166.574 -47.8603 -166.575 209.353 GPRESSURE: 1817000 93.4072 -15.236 -64.1675 0.732737 -88.2983 -153.256 0.729523 -120.118 210.597 PRESSAVG: 1817000 -30.0303 -5.34845 -10.7205 -5.34847 -8.3001 6.75323 -10.7205 6.75326 77.1845 GPRESSAVG: 1817000 -28.3575 -6.27362 -11.7527 -5.10911 -9.26496 6.41277 -10.9328 8.94987 75.794 TIMING: 1817000 CPU: 5405.87, 0.00297871/step Wall: 5405.87, 0.00297871/step, 2.63368 hours remaining, 205.226562 MB of memory in use. ENERGY: 1817000 773.0825 2113.9327 1968.4304 109.3325 -206275.6006 17826.7744 0.0000 0.0000 34140.9983 -149343.0497 298.1618 -183484.0480 -149248.0901 298.2065 40.2589 71.9018 556795.7002 12.9514 12.7238 PRESSURE: 1817200 147.305 90.3184 7.47571 90.3193 219.313 160.812 7.47541 160.812 -77.4758 GPRESSURE: 1817200 167.175 152.424 -7.13206 75.4261 203.043 179.824 22.8518 248.436 -0.237206 PRESSAVG: 1817200 19.2363 41.8002 -55.4776 41.8002 0.83423 29.4597 -55.4777 29.4597 73.5018 GPRESSAVG: 1817200 19.1746 42.1669 -55.7086 42.2404 0.338379 28.2026 -53.9891 29.4445 73.9859 TIMING: 1817200 CPU: 5406.47, 0.00300357/step Wall: 5406.47, 0.00300357/step, 2.65549 hours remaining, 205.226562 MB of memory in use. ENERGY: 1817200 740.0175 2089.4108 1946.6843 115.3019 -206333.4029 18053.3778 0.0000 0.0000 34367.0063 -149021.6043 300.1356 -183388.6106 -148930.3121 298.7653 96.3807 123.3269 556767.9820 31.1908 31.1663 PRESSURE: 1817400 -130.156 178.158 -26.1902 178.158 -34.3945 -91.4754 -26.1906 -91.4756 -200.109 GPRESSURE: 1817400 -94.7886 159.423 -50.3034 180.301 -31.1429 4.70805 71.8812 -76.3471 -131.407 PRESSAVG: 1817400 -65.026 33.0921 -11.5484 33.0921 21.0366 24.0522 -11.5483 24.0523 35.4837 GPRESSAVG: 1817400 -65.7374 34.7747 -11.3138 31.4385 20.6974 27.4259 -12.1668 22.7888 36.7485 TIMING: 1817400 CPU: 5407.07, 0.00299265/step Wall: 5407.07, 0.00299265/step, 2.64567 hours remaining, 205.226562 MB of memory in use. ENERGY: 1817400 735.7434 2067.0732 1941.0579 116.9697 -205879.2497 17670.5058 0.0000 0.0000 34267.4554 -149080.4442 299.2662 -183347.8996 -148980.5066 299.7700 -121.5532 -85.7795 557555.7690 -2.8352 -2.7638 PRESSURE: 1817600 122.646 -139.678 -39.1086 -139.677 169.344 65.7923 -39.1094 65.793 87.2444 GPRESSURE: 1817600 123.208 -168.098 -56.615 -165.868 188.097 65.4545 -51.1755 50.5141 151.243 PRESSAVG: 1817600 -79.1172 -20.675 -18.435 -20.675 1.70629 5.3154 -18.4351 5.31549 61.5825 GPRESSAVG: 1817600 -77.7916 -24.0109 -19.0569 -20.62 1.27407 3.0883 -18.2544 7.35778 60.4921 TIMING: 1817600 CPU: 5407.66, 0.00298306/step Wall: 5407.66, 0.00298306/step, 2.63702 hours remaining, 205.226562 MB of memory in use. ENERGY: 1817600 744.9777 2126.6108 1938.8595 115.8488 -206134.9311 18033.2473 0.0000 0.0000 34180.0004 -148995.3866 298.5024 -183175.3871 -148907.9146 299.3261 126.4116 154.1825 557389.1437 -5.2762 -5.3418 PRESSURE: 1817800 6.20884 -145.639 66.7388 -145.64 91.0021 130.605 66.7381 130.605 -157.236 GPRESSURE: 1817800 67.5852 -147.913 152.193 -139.401 134.52 82.6705 -29.2409 132.552 -175.911 PRESSAVG: 1817800 -57.2389 -4.79731 14.5338 -4.7973 10.4466 52.0092 14.5338 52.009 33.6588 GPRESSAVG: 1817800 -58.3017 -4.17477 14.8102 -2.83954 11.2229 53.7009 15.3691 50.0047 34.3455 TIMING: 1817800 CPU: 5408.26, 0.00297216/step Wall: 5408.26, 0.00297216/step, 2.62723 hours remaining, 205.226562 MB of memory in use. ENERGY: 1817800 733.8359 2101.0765 1944.5336 107.5718 -206050.3180 17662.9299 0.0000 0.0000 34589.4656 -148910.9048 302.0784 -183500.3703 -148815.7385 299.6322 -20.0083 8.7313 557453.7600 -4.3778 -4.2445 PRESSURE: 1818000 -88.7408 -94.4959 -188.932 -94.4962 146.841 -120.685 -188.931 -120.685 134.938 GPRESSURE: 1818000 -23.4453 -44.6963 -146.16 -72.4151 139.315 -129.523 -189.248 -37.7872 171.447 PRESSAVG: 1818000 -13.5528 -17.3978 11.6298 -17.3978 3.78937 -19.5569 11.6298 -19.5568 -4.23992 GPRESSAVG: 1818000 -13.558 -15.2603 11.7953 -18.9929 3.56518 -19.1423 11.3717 -20.3589 -3.50585 TIMING: 1818000 CPU: 5408.86, 0.00299264/step Wall: 5408.86, 0.00299264/step, 2.64516 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: 1818000 742.2866 2100.9840 1955.2499 125.9051 -206080.4483 17941.1859 0.0000 0.0000 34400.9260 -148813.9108 300.4318 -183214.8368 -148722.1540 299.8695 64.3459 95.7723 557166.6211 -4.6678 -4.4996 PRESSURE: 1818200 196.421 -17.3068 79.9477 -17.3054 348.794 30.6598 79.949 30.6603 -16.5526 GPRESSURE: 1818200 226.5 69.8258 29.2504 -60.0178 315.455 72.6616 76.8776 -39.8011 73.6485 PRESSAVG: 1818200 -5.24944 -5.23129 -4.38772 -5.23131 -26.1144 30.8595 -4.38765 30.8595 18.6631 GPRESSAVG: 1818200 -4.23464 -4.89049 -5.49437 -3.25108 -26.2281 31.3442 -4.62405 30.2405 18.292 TIMING: 1818200 CPU: 5409.45, 0.00297949/step Wall: 5409.45, 0.00297949/step, 2.63337 hours remaining, 205.226562 MB of memory in use. ENERGY: 1818200 773.4285 2110.7525 1956.6348 126.0009 -206311.1496 18212.3073 0.0000 0.0000 34379.5524 -148752.4731 300.2452 -183132.0255 -148657.2668 300.1372 176.2208 205.2011 557690.7826 -4.2336 -4.0569 PRESSURE: 1818400 208.041 60.0132 -186.237 60.012 -122.925 17.5406 -186.238 17.5397 128.567 GPRESSURE: 1818400 241.242 96.9736 -146.732 48.8654 -136.488 19.6251 -221.752 17.0747 214.519 PRESSAVG: 1818400 87.6979 -104.255 21.5902 -104.256 -9.90948 29.3307 21.5901 29.3308 -75.364 GPRESSAVG: 1818400 88.0083 -104.842 22.7717 -105.543 -9.42988 28.8028 21.9468 31.2618 -75.6579 TIMING: 1818400 CPU: 5410.05, 0.00300663/step Wall: 5410.05, 0.00300663/step, 2.6572 hours remaining, 205.226562 MB of memory in use. ENERGY: 1818400 722.9656 2093.2482 1935.9497 127.7238 -205951.5662 17902.1048 0.0000 0.0000 34400.1784 -148769.3958 300.4253 -183169.5741 -148667.8165 300.0683 71.2277 106.4244 557314.7635 0.8081 0.9735 PRESSURE: 1818600 -88.4553 -27.6968 -42.1706 -27.6963 217.829 53.268 -42.171 53.2677 -160.073 GPRESSURE: 1818600 -102.563 -85.3342 -68.6697 -0.000623996 286.438 70.7012 -89.2641 43.9516 -116.351 PRESSAVG: 1818600 -7.11834 -53.0912 46.6652 -53.0912 37.6732 17.4461 46.6651 17.446 21.3297 GPRESSAVG: 1818600 -8.35673 -54.7373 46.5756 -51.3991 38.4815 15.7092 45.5181 17.047 22.3951 TIMING: 1818600 CPU: 5410.65, 0.0029761/step Wall: 5410.65, 0.0029761/step, 2.63004 hours remaining, 205.226562 MB of memory in use. ENERGY: 1818600 735.0759 2099.9809 1936.5319 117.4691 -205744.1310 17718.6327 0.0000 0.0000 34362.3656 -148774.0748 300.0951 -183136.4405 -148689.1231 300.1740 -10.2331 22.5082 556981.0239 17.2949 17.5066 PRESSURE: 1818800 68.4312 -106.374 -10.4467 -106.373 -75.2512 -142.363 -10.4464 -142.365 -252.346 GPRESSURE: 1818800 111.956 -62.8663 87.2839 -135.436 -48.2028 -211.137 -79.6385 -125.691 -236.882 PRESSAVG: 1818800 -30.526 -68.6577 31.8123 -68.6578 60.7461 18.995 31.8122 18.9949 -31.4766 GPRESSAVG: 1818800 -29.6217 -67.5272 31.5192 -68.0237 60.328 20.9803 32.7341 17.9756 -31.4773 TIMING: 1818800 CPU: 5411.25, 0.00298727/step Wall: 5411.25, 0.00298727/step, 2.63975 hours remaining, 205.226562 MB of memory in use. ENERGY: 1818800 762.5188 2071.5553 1945.0899 112.2108 -205628.6130 17665.3666 0.0000 0.0000 34241.4066 -148830.4650 299.0387 -183071.8716 -148734.8333 300.4754 -86.3886 -57.7096 559295.8431 -0.4189 -0.2570 PRESSURE: 1819000 -33.4839 -87.0242 47.5599 -87.0246 239.979 63.6194 47.561 63.6199 221.035 GPRESSURE: 1819000 -24.2078 -92.3495 73.5266 -61.7765 268.308 129.847 31.8305 -3.83718 276.957 PRESSAVG: 1819000 -26.5805 34.0285 21.5222 34.0285 32.3386 19.7795 21.5221 19.7796 -15.8336 GPRESSAVG: 1819000 -26.0417 36.1257 21.9035 31.7153 32.2765 20.5854 21.2396 19.0086 -16.0665 TIMING: 1819000 CPU: 5411.85, 0.00299017/step Wall: 5411.85, 0.00299017/step, 2.64214 hours remaining, 205.226562 MB of memory in use. ENERGY: 1819000 750.2599 2102.2746 1969.0023 112.4178 -206144.3399 18154.3352 0.0000 0.0000 34341.3797 -148714.6704 299.9118 -183056.0500 -148617.4792 300.8845 142.5098 173.6857 557772.7744 -3.3585 -3.2772 PRESSURE: 1819200 -167.001 -64.8393 1.73174 -64.8405 -53.1306 146.92 1.73129 146.921 -91.1984 GPRESSURE: 1819200 -157.771 -76.4759 -20.5955 -70.7334 -11.5449 154.341 9.89335 217.653 -44.5199 PRESSAVG: 1819200 -18.494 43.2701 2.9758 43.2701 59.0374 29.0815 2.97577 29.0816 -48.6394 GPRESSAVG: 1819200 -18.7825 41.1934 3.59767 45.7922 60.0256 26.5594 3.02292 30.6338 -49.3958 TIMING: 1819200 CPU: 5412.44, 0.00297929/step Wall: 5412.44, 0.00297929/step, 2.63237 hours remaining, 205.226562 MB of memory in use. ENERGY: 1819200 739.4594 2060.0500 1941.1202 104.4380 -205726.0450 17705.6280 0.0000 0.0000 34383.4603 -148791.8892 300.2793 -183175.3495 -148695.4881 299.9344 -103.7767 -71.2787 559441.3001 -2.6987 -2.7176 PRESSURE: 1819400 134.424 -52.9694 -39.2803 -52.9701 136.443 123.868 -39.279 123.867 268.691 GPRESSURE: 1819400 176.29 22.2024 6.32507 -93.9822 140.374 92.5149 -21.599 121.805 316.518 PRESSAVG: 1819400 0.632724 24.6666 2.02624 24.6666 35.0425 52.1747 2.02622 52.1747 -47.0987 GPRESSAVG: 1819400 0.282837 24.3369 -0.163742 24.8482 34.5012 52.132 2.35822 51.888 -46.2243 TIMING: 1819400 CPU: 5413.04, 0.00296945/step Wall: 5413.04, 0.00296945/step, 2.62351 hours remaining, 205.226562 MB of memory in use. ENERGY: 1819400 734.4686 2108.2804 1937.3819 121.2714 -206366.0448 17926.0901 0.0000 0.0000 34454.6974 -149083.8550 300.9014 -183538.5523 -148984.5371 299.5626 179.8527 211.0606 557867.6021 -3.8078 -3.8134 PRESSURE: 1819600 31.5805 37.164 57.936 37.1639 323.529 -14.0398 57.9352 -14.0388 269.685 GPRESSURE: 1819600 91.5384 -56.8524 42.3608 5.45757 377.211 -85.9841 14.811 -19.7214 254.305 PRESSAVG: 1819600 -49.9156 21.3107 19.6175 21.3108 55.5384 -25.08 19.6176 -25.0801 6.38953 GPRESSAVG: 1819600 -50.0118 22.2767 20.7221 19.027 56.4872 -23.4408 18.9818 -24.2804 5.6364 TIMING: 1819600 CPU: 5413.63, 0.00297957/step Wall: 5413.63, 0.00297957/step, 2.63228 hours remaining, 205.226562 MB of memory in use. ENERGY: 1819600 736.6369 2099.9224 1927.0834 119.3456 -206241.0447 17876.0086 0.0000 0.0000 34359.6158 -149122.4321 300.0711 -183482.0478 -149024.9953 299.2261 208.2651 241.0184 556226.4021 4.0041 4.0372 PRESSURE: 1819800 -369.175 -54.8123 -28.2425 -54.8107 -28.9533 51.6525 -28.243 51.6527 -237.514 GPRESSURE: 1819800 -366.51 -15.7229 -26.8976 10.9807 8.58073 90.8792 -65.3434 17.8388 -172.192 PRESSAVG: 1819800 -57.2255 -13.1983 30.8311 -13.1983 42.3077 -23.8137 30.8312 -23.8137 1.85704 GPRESSAVG: 1819800 -56.0052 -13.2166 31.3739 -12.5617 40.8033 -24.5392 31.4335 -24.3987 2.56373 TIMING: 1819800 CPU: 5414.22, 0.0029605/step Wall: 5414.22, 0.0029605/step, 2.61527 hours remaining, 205.226562 MB of memory in use. ENERGY: 1819800 751.0541 2109.4661 1937.9243 113.3814 -205788.8292 17469.5160 0.0000 0.0000 34240.7664 -149166.7209 299.0331 -183407.4873 -149071.9661 299.1641 -211.8810 -176.7072 558718.4852 -4.3536 -4.2127 PRESSURE: 1820000 126.302 -6.04192 26.8384 -6.0433 -349.193 24.0367 26.8382 24.0361 -78.333 GPRESSURE: 1820000 188.409 -73.2636 6.96138 -34.4466 -289.147 50.7443 4.29581 -3.75249 -110.637 PRESSAVG: 1820000 -20.2107 -23.7645 -1.8004 -23.7645 -11.9841 39.3433 -1.80044 39.3434 -22.9747 GPRESSAVG: 1820000 -21.0892 -22.2431 -2.33118 -24.5163 -11.067 40.1465 -0.369581 41.0879 -23.2973 TIMING: 1820000 CPU: 5414.82, 0.00297915/step Wall: 5414.82, 0.00297915/step, 2.63158 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: 1820000 750.8931 2150.4383 1921.3619 119.8731 -206155.4340 17803.8835 0.0000 0.0000 34402.2388 -149006.7453 300.4433 -183408.9841 -148907.5081 299.2641 -100.4080 -70.4581 559824.7396 -18.3898 -18.4845 PRESSURE: 1820200 -128.912 65.4618 -148.101 65.4624 -213.011 120.291 -148.101 120.291 -291.085 GPRESSURE: 1820200 -123.238 31.5659 -129.168 51.7923 -202.888 36.8365 -167.159 186.163 -212.618 PRESSAVG: 1820200 77.8576 20.7549 -28.0162 20.7549 -16.1782 -19.6202 -28.016 -19.6202 -56.6793 GPRESSAVG: 1820200 78.5489 19.3051 -27.3245 22.9278 -16.2695 -21.1452 -27.1712 -20.7633 -57.2851 TIMING: 1820200 CPU: 5415.41, 0.00297555/step Wall: 5415.41, 0.00297555/step, 2.62823 hours remaining, 205.226562 MB of memory in use. ENERGY: 1820200 765.3913 2111.1986 1934.0153 98.6919 -205789.1288 17385.8052 0.0000 0.0000 34346.6323 -149147.3942 299.9577 -183494.0265 -149051.2980 299.3872 -211.0025 -179.5815 558098.2238 1.6667 1.6647 LDB: ============= START OF LOAD BALANCING ============== 5418.84 LDB: ============== END OF LOAD BALANCING =============== 5418.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5418.84 LDB: ============= START OF LOAD BALANCING ============== 5419.14 LDB: Largest compute 4847 load 0.023609 is 20.0% of average load 0.117913 LDB: Average compute 0.001737 is 1.5% of average load 0.117913 LDB: TIME 5419.14 LOAD: AVG 0.117913 MAX 0.196021 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 5419.14 LOAD: AVG 0.117913 MAX 0.196021 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.031 MB LDB: TIME 5419.14 LOAD: AVG 0.117913 MAX 0.196021 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.031 MB LDB: ============== END OF LOAD BALANCING =============== 5419.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5419.15 PRESSURE: 1820400 4.88387 -197.368 302.114 -197.366 6.51082 -28.5055 302.114 -28.505 -108.585 GPRESSURE: 1820400 38.3002 -194.938 201.662 -179.092 9.69502 -8.82862 317.762 -12.9951 -40.2721 PRESSAVG: 1820400 5.38094 -34.5422 -48.0636 -34.5421 43.9444 37.8836 -48.0636 37.8837 -6.63551 GPRESSAVG: 1820400 4.32638 -34.5953 -49.7853 -34.6037 44.1091 40.7 -49.1877 36.4827 -5.4887 TIMING: 1820400 CPU: 5416.02, 0.00300641/step Wall: 5416.02, 0.00300641/step, 2.65533 hours remaining, 206.199219 MB of memory in use. ENERGY: 1820400 771.8573 2082.4915 1917.8302 110.5497 -206189.1747 17791.6783 0.0000 0.0000 34264.6684 -149250.0993 299.2419 -183514.7676 -149148.9954 299.1323 -32.3968 2.5744 558520.5973 14.2299 14.3156 PRESSURE: 1820600 -16.5587 31.6903 -192.649 31.6901 28.7501 -7.55403 -192.649 -7.5552 -141.504 GPRESSURE: 1820600 -5.64279 51.9366 -274.996 -4.6634 52.925 -32.4892 -156.28 -10.9591 -82.3176 PRESSAVG: 1820600 -3.27698 -15.8508 18.5919 -15.8508 29.2967 12.6244 18.5918 12.6244 26.2476 GPRESSAVG: 1820600 -3.20497 -13.9723 18.5037 -18.7542 28.22 9.65344 18.1916 13.5074 26.9537 TIMING: 1820600 CPU: 5416.61, 0.00299294/step Wall: 5416.61, 0.00299294/step, 2.64327 hours remaining, 206.199219 MB of memory in use. ENERGY: 1820600 781.9589 2131.1138 1940.8414 105.7656 -206406.5727 17853.4058 0.0000 0.0000 34379.8569 -149213.6302 300.2478 -183593.4872 -149111.4943 299.3597 -43.1041 -11.6784 557439.2926 17.4224 17.3229 PRESSURE: 1820800 -83.9076 -46.8845 286.5 -46.8847 -92.8311 93.9179 286.499 93.917 159.704 GPRESSURE: 1820800 -115.28 26.5416 247.849 -110.199 -18.4384 83.302 267.069 74.8307 204.233 PRESSAVG: 1820800 7.08361 -10.0922 3.27677 -10.0922 -6.5949 -19.369 3.27677 -19.3689 3.90884 GPRESSAVG: 1820800 6.81509 -13.1015 2.0363 -7.33455 -5.09884 -16.9697 4.62593 -21.3128 2.43594 TIMING: 1820800 CPU: 5417.22, 0.00301904/step Wall: 5417.22, 0.00301904/step, 2.66614 hours remaining, 206.199219 MB of memory in use. ENERGY: 1820800 799.8150 2093.5552 1940.2979 119.7721 -206546.7936 17956.8149 0.0000 0.0000 34327.2105 -149309.3281 299.7881 -183636.5386 -149213.2757 299.4300 -5.6780 23.5048 558194.9756 1.4659 1.3841 PRESSURE: 1821000 -102 56.5304 -60.4816 56.5302 -107.123 219.065 -60.4835 219.065 -33.4786 GPRESSURE: 1821000 -116.992 17.1907 -49.8795 77.339 -78.6189 312.089 -125.965 200.211 44.0826 PRESSAVG: 1821000 -12.6802 0.617275 29.0007 0.61732 -16.642 42.0631 29.0007 42.0631 -10.1094 GPRESSAVG: 1821000 -11.7369 2.70723 29.5892 -1.4138 -17.3341 41.4602 29.5316 43.409 -10.6241 TIMING: 1821000 CPU: 5417.82, 0.00301106/step Wall: 5417.82, 0.00301106/step, 2.65893 hours remaining, 206.199219 MB of memory in use. ENERGY: 1821000 729.8614 2131.2704 1919.6644 122.0258 -205997.6037 17620.1865 0.0000 0.0000 34393.9321 -149080.6632 300.3708 -183474.5953 -148993.8363 300.1726 -80.8675 -50.5094 557702.1147 -13.1439 -13.2317 PRESSURE: 1821200 213.266 -48.9186 125.376 -48.9183 -116.093 100.606 125.376 100.606 57.8958 GPRESSURE: 1821200 237.368 -121.553 113.372 1.48319 -55.2637 135.228 180.807 103.08 70.1373 PRESSAVG: 1821200 -38.2768 -51.4335 54.6438 -51.4336 -42.3392 43.7069 54.6438 43.7069 30.3894 GPRESSAVG: 1821200 -39.8177 -50.8929 54.6196 -50.1942 -42.6063 45.5325 53.4266 42.8601 32.1866 TIMING: 1821200 CPU: 5418.42, 0.00301656/step Wall: 5418.42, 0.00301656/step, 2.66362 hours remaining, 206.199219 MB of memory in use. ENERGY: 1821200 728.1536 2105.1873 1923.8639 112.6164 -206230.0693 17843.7156 0.0000 0.0000 34505.0494 -149011.4830 301.3412 -183516.5324 -148919.4944 300.2628 51.6897 84.0806 556182.6885 -16.7422 -16.7458 PRESSURE: 1821400 156.808 -176.784 105.545 -176.784 -176.805 -54.3691 105.546 -54.3692 101.396 GPRESSURE: 1821400 178.081 -134.881 125.586 -237.336 -76.4039 -29.8367 33.2543 -63.7235 87.7632 PRESSAVG: 1821400 18.8683 -59.2457 13.915 -59.2457 -24.816 41.9417 13.915 41.9417 31.8557 GPRESSAVG: 1821400 19.3321 -58.8142 13.4217 -59.5034 -24.5245 39.8723 13.1397 42.7006 31.0514 TIMING: 1821400 CPU: 5419.03, 0.00302302/step Wall: 5419.03, 0.00302302/step, 2.66916 hours remaining, 206.199219 MB of memory in use. ENERGY: 1821400 768.0210 2069.2982 1955.4988 113.0718 -206107.2337 17876.5561 0.0000 0.0000 34258.9857 -149065.8022 299.1922 -183324.7879 -148967.1518 300.1246 27.1332 63.1469 556663.5334 8.6360 8.6197 PRESSURE: 1821600 -16.6372 63.7796 -54.4508 63.7785 -207.725 -22.4466 -54.4501 -22.4475 -275.59 GPRESSURE: 1821600 6.58533 39.989 -110.664 142.908 -143.376 -27.0946 -30.0301 53.1279 -265.088 PRESSAVG: 1821600 -8.42956 -29.471 -37.5745 -29.471 -20.7284 16.3865 -37.5745 16.3864 32.7268 GPRESSAVG: 1821600 -8.54521 -31.8256 -35.2375 -28.2754 -20.0261 17.3463 -37.5279 17.0483 32.231 TIMING: 1821600 CPU: 5419.64, 0.00304558/step Wall: 5419.64, 0.00304558/step, 2.68891 hours remaining, 206.199219 MB of memory in use. ENERGY: 1821600 763.5389 2113.9897 1911.4216 106.9196 -206164.1923 17660.8860 0.0000 0.0000 34477.5969 -149129.8397 301.1014 -183607.4367 -149033.9684 300.3690 -166.6508 -133.9596 556823.2014 1.1896 1.2199 PRESSURE: 1821800 311.736 -127.977 -151.71 -127.976 161.195 -11.7081 -151.71 -11.7068 69.1162 GPRESSURE: 1821800 423.606 -132.782 -124.67 -170.5 163.09 -86.3649 -142.376 10.0026 60.337 PRESSAVG: 1821800 54.2835 17.3194 -53.8108 17.3194 -9.06899 -18.2347 -53.8107 -18.2347 -24.2217 GPRESSAVG: 1821800 55.3663 19.2906 -53.5541 16.0341 -10.3159 -18.6827 -52.1657 -18.6494 -23.9049 TIMING: 1821800 CPU: 5420.24, 0.00301693/step Wall: 5420.24, 0.00301693/step, 2.66344 hours remaining, 206.199219 MB of memory in use. ENERGY: 1821800 734.8833 2123.7202 1908.1368 123.6786 -205953.9795 18022.8789 0.0000 0.0000 34048.8060 -148991.8757 297.3567 -183040.6817 -148893.7064 299.8596 180.6824 215.6779 557814.6960 6.9976 7.0485 PRESSURE: 1822000 -27.0366 -179.437 -151.725 -179.437 -412.319 -3.01704 -151.725 -3.01632 -246.112 GPRESSURE: 1822000 -59.9649 -191.459 -225.922 -203.546 -379.078 31.8147 -187.347 -60.7783 -151.221 PRESSAVG: 1822000 28.8914 27.3188 -82.2996 27.3188 1.20224 -1.1322 -82.2996 -1.13219 -52.6461 GPRESSAVG: 1822000 28.1896 26.0194 -83.4365 27.7201 0.717282 -3.12994 -83.9517 0.385139 -51.4857 TIMING: 1822000 CPU: 5420.84, 0.00297678/step Wall: 5420.84, 0.00297678/step, 2.62784 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: 1822000 740.9889 2059.3964 1931.5101 114.2537 -205834.3187 17530.1594 0.0000 0.0000 34364.7721 -149093.2381 300.1161 -183458.0102 -148990.9304 299.4153 -228.4893 -196.7544 558102.5261 -7.5175 -7.5263 PRESSURE: 1822200 -24.5403 -56.1835 -78.2494 -56.1827 -183.356 100.81 -78.2491 100.809 84.7426 GPRESSURE: 1822200 -18.4574 -81.5437 -80.6148 -72.3269 -127.96 61.5276 -75.391 95.6278 102.226 PRESSAVG: 1822200 47.2677 19.618 -29.3594 19.618 -25.4697 3.99774 -29.3593 3.99784 -19.922 GPRESSAVG: 1822200 47.1704 20.9161 -29.0486 18.7458 -23.5532 4.46295 -31.4976 2.33067 -21.6263 TIMING: 1822200 CPU: 5421.44, 0.0029966/step Wall: 5421.44, 0.0029966/step, 2.64517 hours remaining, 206.199219 MB of memory in use. ENERGY: 1822200 777.1362 2058.7191 1950.5864 117.6940 -206468.0063 17950.4241 0.0000 0.0000 34456.0603 -149157.3863 300.9133 -183613.4466 -149052.2193 300.0050 -41.0514 -14.7303 557569.9869 0.6254 0.6636 PRESSURE: 1822400 210.192 -49.6353 13.1659 -49.6356 -16.9273 -80.5301 13.164 -80.5314 137.337 GPRESSURE: 1822400 241.007 -1.3232 19.341 -81.7976 0.633635 -127.028 44.1977 -125.472 174.353 PRESSAVG: 1822400 59.9636 -30.9383 1.51323 -30.9384 -10.6179 18.4944 1.51319 18.4944 -24.5601 GPRESSAVG: 1822400 60.3453 -32.8522 1.82672 -28.8963 -10.6196 19.0424 1.84226 19.0191 -24.766 TIMING: 1822400 CPU: 5422.03, 0.00298424/step Wall: 5422.03, 0.00298424/step, 2.63409 hours remaining, 206.199219 MB of memory in use. ENERGY: 1822400 741.9236 2126.1079 1929.5673 100.7303 -206236.9114 18071.8997 0.0000 0.0000 34009.5388 -149257.1438 297.0138 -183266.6826 -149159.0713 299.0994 110.2005 138.6646 558338.4262 8.2619 8.3199 PRESSURE: 1822600 -29.9814 -158.727 35.6083 -158.726 18.189 86.2504 35.6094 86.2511 -123.836 GPRESSURE: 1822600 -16.5833 -87.4324 81.2521 -147.195 93.3036 181.899 -49.9104 76.8503 -128.501 PRESSAVG: 1822600 -8.0576 28.1743 -19.3738 28.1743 15.1357 -9.7863 -19.3738 -9.78624 -4.91413 GPRESSAVG: 1822600 -8.54498 27.5813 -19.85 27.3392 14.4839 -11.0127 -18.1724 -10.4434 -4.35804 TIMING: 1822600 CPU: 5422.63, 0.00298697/step Wall: 5422.63, 0.00298697/step, 2.63634 hours remaining, 206.199219 MB of memory in use. ENERGY: 1822600 769.9579 2079.1667 1920.6470 106.0296 -205843.9323 17606.1152 0.0000 0.0000 34073.5253 -149288.4905 297.5726 -183362.0158 -149197.0029 299.1040 -45.2096 -17.2604 557362.0251 0.7213 0.5270 PRESSURE: 1822800 -232.38 158.121 18.6231 158.122 234.774 -109.284 18.6226 -109.284 -145.358 GPRESSURE: 1822800 -156.241 138.625 9.06184 184.338 224.749 -103.548 -33.6463 -133.371 -124.15 PRESSAVG: 1822800 -18.2635 19.5128 32.5222 19.5128 65.8189 36.4153 32.5221 36.4153 -10.4287 GPRESSAVG: 1822800 -18.3467 19.0395 31.4744 20.923 64.9824 39.3838 32.1975 35.4648 -9.19366 TIMING: 1822800 CPU: 5423.23, 0.00298489/step Wall: 5423.23, 0.00298489/step, 2.63434 hours remaining, 206.199219 MB of memory in use. ENERGY: 1822800 753.2074 2056.0696 1952.4455 110.8661 -206142.2943 17754.4093 0.0000 0.0000 34259.1027 -149256.1938 299.1933 -183515.2965 -149161.7198 299.6828 -47.6546 -18.5475 556788.0731 12.3756 12.4807 PRESSURE: 1823000 156.16 22.619 100.202 22.6185 14.5854 42.2131 100.202 42.2126 -146.56 GPRESSURE: 1823000 188.819 118.565 117.654 -5.58727 17.933 -1.22926 144.44 67.7394 -88.4775 PRESSAVG: 1823000 -44.7299 19.2384 39.3298 19.2383 41.0832 33.6697 39.3298 33.6696 -11.0154 GPRESSAVG: 1823000 -43.8285 21.7057 40.3576 18.4451 41.5432 34.0908 41.4999 33.2969 -12.3488 TIMING: 1823000 CPU: 5423.82, 0.00298174/step Wall: 5423.82, 0.00298174/step, 2.63138 hours remaining, 206.199219 MB of memory in use. ENERGY: 1823000 737.9858 2069.6126 1934.1391 105.6706 -206180.0674 17803.2500 0.0000 0.0000 34374.0956 -149155.3137 300.1975 -183529.4093 -149055.3643 299.1456 8.0619 39.4247 558017.4544 -4.8874 -4.8780 PRESSURE: 1823200 4.56074 29.7219 -56.5157 29.7211 0.619118 -114.353 -56.5161 -114.354 -157.814 GPRESSURE: 1823200 48.8818 79.8572 10.4253 21.2532 3.40821 -188.353 -81.2591 -16.0622 -127.376 PRESSAVG: 1823200 61.8025 13.2627 -41.4948 13.2628 32.645 -26.2482 -41.4949 -26.2481 -52.3425 GPRESSAVG: 1823200 60.4782 13.7383 -41.2796 12.5032 32.7672 -28.192 -42.4744 -23.7407 -51.1069 TIMING: 1823200 CPU: 5424.41, 0.00294453/step Wall: 5424.41, 0.00294453/step, 2.59839 hours remaining, 206.199219 MB of memory in use. ENERGY: 1823200 780.7674 2106.5950 1954.2192 108.0335 -206148.6182 17710.7383 0.0000 0.0000 34333.1758 -149155.0891 299.8402 -183488.2650 -149058.9990 298.8003 -50.8782 -25.0288 557610.4898 14.0350 14.0462 PRESSURE: 1823400 -278.708 -72.6358 27.7749 -72.6356 -1.39178 2.73803 27.7755 2.73766 -94.8208 GPRESSURE: 1823400 -261.756 -56.193 56.7126 -88.6063 55.9023 -10.1203 2.94601 -26.0555 -67.2679 PRESSAVG: 1823400 -3.23026 54.6616 38.277 54.6616 36.2593 -35.3354 38.2771 -35.3354 -14.213 GPRESSAVG: 1823400 -3.39029 53.0702 37.2286 54.7127 37.1604 -32.9783 38.3625 -37.5831 -14.8512 TIMING: 1823400 CPU: 5425, 0.00295063/step Wall: 5425, 0.00295063/step, 2.60361 hours remaining, 206.199219 MB of memory in use. ENERGY: 1823400 725.5877 2104.8371 1925.2592 109.7641 -206023.0984 17645.9111 0.0000 0.0000 34300.8388 -149210.9004 299.5578 -183511.7392 -149113.2719 299.6238 -124.9734 -91.0407 558539.0404 6.2720 6.3063 PRESSURE: 1823600 -117.015 -4.11457 -19.7227 -4.11394 -196.142 -38.3984 -19.7229 -38.3985 -274.006 GPRESSURE: 1823600 -57.7702 -95.1406 83.6682 18.4944 -192.738 -55.4802 -7.95223 -34.0779 -228.384 PRESSAVG: 1823600 2.71015 45.0314 6.6223 45.0314 -16.6482 -19.0035 6.62238 -19.0034 -7.36802 GPRESSAVG: 1823600 3.28398 45.1458 6.52084 44.988 -17.8495 -19.4481 7.13743 -18.5683 -7.315 TIMING: 1823600 CPU: 5425.59, 0.00296073/step Wall: 5425.59, 0.00296073/step, 2.61235 hours remaining, 206.199219 MB of memory in use. ENERGY: 1823600 727.9810 2114.7511 1948.8886 114.9082 -205787.9675 17476.4330 0.0000 0.0000 34215.0695 -149189.9361 298.8087 -183405.0056 -149085.7739 298.9774 -195.7210 -159.6306 560491.8245 -7.1020 -7.2935 PRESSURE: 1823800 -187.248 86.8371 39.988 86.838 86.4263 -110.512 39.9885 -110.513 -478.194 GPRESSURE: 1823800 -154.979 -15.0666 16.9712 43.0816 151.823 -83.4389 39.9955 -88.4377 -467.997 PRESSAVG: 1823800 31.5549 47.8201 -14.6907 47.82 12.5261 -72.3981 -14.6907 -72.3982 -61.8862 GPRESSAVG: 1823800 31.2566 48.5777 -14.1606 46.5537 12.8135 -72.4594 -15.5847 -72.5933 -61.7797 TIMING: 1823800 CPU: 5426.19, 0.00296474/step Wall: 5426.19, 0.00296474/step, 2.61573 hours remaining, 206.199219 MB of memory in use. ENERGY: 1823800 785.1403 2094.3391 1916.4145 122.8623 -205881.0529 17584.0913 0.0000 0.0000 34248.0666 -149130.1389 299.0969 -183378.2055 -149034.7080 299.3764 -193.0051 -157.0507 560010.4449 -5.9351 -5.9032 PRESSURE: 1824000 -44.5684 159.215 -103.911 159.214 65.2093 5.97059 -103.91 5.96933 196.443 GPRESSURE: 1824000 27.3978 176.787 -100.41 167.745 49.6932 62.0648 -210.396 -35.0079 243.301 PRESSAVG: 1824000 36.6213 -5.19307 -57.2614 -5.19301 -6.77816 -16.5095 -57.2613 -16.5096 16.6084 GPRESSAVG: 1824000 37.6452 -3.22866 -57.5849 -5.17973 -7.93269 -16.9957 -57.7974 -16.104 16.2767 TIMING: 1824000 CPU: 5426.78, 0.00295928/step Wall: 5426.78, 0.00295928/step, 2.61075 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: 1824000 722.3524 2151.5970 1941.4265 117.2742 -206475.7407 18098.4075 0.0000 0.0000 34280.2166 -149164.4664 299.3777 -183444.6830 -149063.9263 299.2696 72.3613 106.7972 560333.0636 15.4838 15.3297 PRESSURE: 1824200 -72.0576 -48.99 71.673 -48.991 77.0039 44.1075 71.6734 44.1073 124.295 GPRESSURE: 1824200 -39.6238 9.75505 47.7296 -44.3134 131.022 90.0929 137.612 76.5869 135.057 PRESSAVG: 1824200 29.7232 22.8599 -26.4637 22.8599 8.60562 23.9403 -26.4637 23.9404 -29.4932 GPRESSAVG: 1824200 28.5309 23.0111 -26.9374 24.0875 10.3588 23.6356 -24.8313 23.2688 -29.7283 TIMING: 1824200 CPU: 5427.37, 0.00296628/step Wall: 5427.37, 0.00296628/step, 2.61675 hours remaining, 206.199219 MB of memory in use. ENERGY: 1824200 712.1567 2112.3181 1949.6959 112.3140 -206394.2937 18053.8911 0.0000 0.0000 34301.8013 -149152.1166 299.5662 -183453.9179 -149049.9130 298.9417 43.0805 75.4849 558930.4920 2.9452 3.0538 LDB: ============= START OF LOAD BALANCING ============== 5430.8 LDB: ============== END OF LOAD BALANCING =============== 5430.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5430.8 LDB: ============= START OF LOAD BALANCING ============== 5431.1 LDB: Largest compute 4847 load 0.024403 is 20.7% of average load 0.117979 LDB: Average compute 0.001735 is 1.5% of average load 0.117979 LDB: TIME 5431.1 LOAD: AVG 0.117979 MAX 0.198561 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 5431.1 LOAD: AVG 0.117979 MAX 0.198561 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: TIME 5431.1 LOAD: AVG 0.117979 MAX 0.198561 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5431.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5431.11 PRESSURE: 1824400 61.4233 -174.3 -91.3274 -174.301 150.93 -118.521 -91.3267 -118.519 15.4757 GPRESSURE: 1824400 44.9731 -144.218 -99.0507 -165.299 208.985 -132.628 -70.0628 -215.372 83.9319 PRESSAVG: 1824400 2.84977 -25.2288 -16.4043 -25.2288 28.8141 12.7192 -16.4043 12.7191 -1.38307 GPRESSAVG: 1824400 2.31715 -25.8915 -14.2893 -24.4065 27.996 10.6101 -18.4767 13.193 -0.181666 TIMING: 1824400 CPU: 5427.98, 0.00303654/step Wall: 5427.98, 0.00303654/step, 2.67857 hours remaining, 205.941406 MB of memory in use. ENERGY: 1824400 777.9923 2089.6784 1956.7882 113.6045 -206806.6313 18181.4411 0.0000 0.0000 34416.3143 -149270.8126 300.5662 -183687.1268 -149173.0728 298.8034 75.9429 112.6301 556953.1466 10.0936 10.0438 PRESSURE: 1824600 -134.884 45.6785 -59.2913 45.6793 141.37 7.45123 -59.2911 7.4539 -171.345 GPRESSURE: 1824600 -76.8004 49.2998 -72.0407 -46.238 135.618 -83.7945 -30.8418 38.903 -124.455 PRESSAVG: 1824600 21.8399 27.1031 -10.7394 27.103 -34.0927 -28.9892 -10.7394 -28.9892 34.2983 GPRESSAVG: 1824600 23.4265 26.0398 -13.173 25.5184 -34.7143 -26.7482 -10.3391 -27.7972 33.7828 TIMING: 1824600 CPU: 5428.58, 0.00298797/step Wall: 5428.58, 0.00298797/step, 2.63556 hours remaining, 206.144531 MB of memory in use. ENERGY: 1824600 734.2662 2074.1061 1970.8253 109.0313 -206239.8584 17737.4557 0.0000 0.0000 34238.4371 -149375.7368 299.0128 -183614.1739 -149277.3074 298.7248 -54.9528 -21.8792 556520.5006 7.3485 7.4983 PRESSURE: 1824800 289.266 -105.334 91.7759 -105.334 -14.3848 -61.4806 91.7746 -61.4794 -0.921031 GPRESSURE: 1824800 360.085 -2.5289 75.8096 -167.753 -52.0542 -47.7661 69.8738 -78.9216 74.5604 PRESSAVG: 1824800 -4.92942 -25.3154 65.2806 -25.3154 41.6998 -21.9162 65.2806 -21.9161 -49.6631 GPRESSAVG: 1824800 -5.91255 -22.849 66.92 -27.3441 41.6234 -22.5815 64.8232 -24.3145 -48.8035 TIMING: 1824800 CPU: 5429.16, 0.00293941/step Wall: 5429.16, 0.00293941/step, 2.59256 hours remaining, 206.144531 MB of memory in use. ENERGY: 1824800 705.0544 2076.8456 1967.8510 105.5924 -206321.1549 17809.4478 0.0000 0.0000 34392.9795 -149263.3842 300.3624 -183656.3637 -149167.5435 298.7137 91.3202 127.5304 557290.6933 -4.2976 -4.3642 PRESSURE: 1825000 35.1441 116.848 -0.86988 116.85 -314.071 150.73 -0.870953 150.73 18.3016 GPRESSURE: 1825000 52.7477 63.3078 -27.2998 113.335 -242.27 228.653 -34.3544 92.2428 31.3208 PRESSAVG: 1825000 59.3726 -46.8914 21.3231 -46.8914 0.905855 1.56065 21.3231 1.56053 -53.2241 GPRESSAVG: 1825000 59.7458 -49.9989 18.6195 -43.4832 1.80345 0.568286 21.6906 2.24516 -54.5007 TIMING: 1825000 CPU: 5429.76, 0.00295327/step Wall: 5429.76, 0.00295327/step, 2.60462 hours remaining, 206.144531 MB of memory in use. ENERGY: 1825000 716.8111 2076.0725 1949.6639 104.5193 -205663.2389 17545.1533 0.0000 0.0000 34154.1546 -149116.8642 298.2767 -183271.0187 -149014.9514 299.6800 -86.8752 -52.7340 559508.2125 2.3514 2.3495 PRESSURE: 1825200 -28.3487 83.4644 -85.0671 83.4649 182.515 -4.69642 -85.0664 -4.69674 88.3998 GPRESSURE: 1825200 8.33994 27.7405 -58.9735 42.7764 257.44 -16.0043 -27.7967 -43.8567 84.7807 PRESSAVG: 1825200 -6.11587 9.05276 -32.2345 9.05283 21.3747 -29.3167 -32.2345 -29.3167 -44.0036 GPRESSAVG: 1825200 -5.76024 10.1481 -29.3879 8.29164 20.5765 -28.4991 -34.0101 -28.0152 -43.4944 TIMING: 1825200 CPU: 5430.35, 0.00296546/step Wall: 5430.35, 0.00296546/step, 2.61521 hours remaining, 206.144531 MB of memory in use. ENERGY: 1825200 743.1065 2090.4428 1943.2511 110.0137 -206467.8926 17975.2542 0.0000 0.0000 34543.0120 -149062.8122 301.6727 -183605.8242 -148959.5798 300.4819 80.8552 116.8535 556845.6551 -9.5816 -9.5594 PRESSURE: 1825400 146.672 56.6188 134.992 56.6178 247.073 51.3156 134.992 51.3161 -110.614 GPRESSURE: 1825400 134.616 122.697 97.9883 34.5852 311.397 111.5 93.158 -20.2358 -58.4376 PRESSAVG: 1825400 -12.3823 48.0834 9.98553 48.0835 96.291 6.14983 9.98549 6.14982 -60.3079 GPRESSAVG: 1825400 -12.4052 48.4904 8.26156 46.9206 96.2754 6.85372 13.1276 4.14528 -60.0441 TIMING: 1825400 CPU: 5430.95, 0.00298375/step Wall: 5430.95, 0.00298375/step, 2.63117 hours remaining, 206.144531 MB of memory in use. ENERGY: 1825400 749.9885 2055.6387 1955.1994 116.0450 -206354.5026 18123.0140 0.0000 0.0000 34527.2108 -148827.4061 301.5347 -183354.6169 -148731.0706 300.5284 94.3769 129.1916 557945.6298 7.8669 7.9420 PRESSURE: 1825600 89.6402 33.4859 -24.2247 33.4875 44.2189 -7.97911 -24.2232 -7.97922 -155.614 GPRESSURE: 1825600 121.442 -16.4811 -20.1784 59.2947 66.4208 30.5771 26.5379 21.1181 -122.329 PRESSAVG: 1825600 19.774 11.9134 -48.0134 11.9134 12.7856 2.43032 -48.0135 2.43033 -13.2849 GPRESSAVG: 1825600 19.7802 13.3771 -46.1803 11.6106 11.802 1.62294 -49.882 4.15953 -12.7115 TIMING: 1825600 CPU: 5431.54, 0.00295357/step Wall: 5431.54, 0.00295357/step, 2.60439 hours remaining, 206.144531 MB of memory in use. ENERGY: 1825600 793.8654 2125.8639 1902.5014 114.2190 -206296.2129 17976.5236 0.0000 0.0000 34376.1057 -149007.1338 300.2151 -183383.2395 -148909.9833 300.3099 -7.2515 21.8448 557332.4172 6.4249 6.2903 PRESSURE: 1825800 -26.0049 -29.4411 9.45412 -29.4402 111.985 150.412 9.45453 150.413 92.0217 GPRESSURE: 1825800 7.95071 18.3091 -74.0839 -104.275 142.388 153.728 -12.2021 105.868 122.785 PRESSAVG: 1825800 -35.5261 -17.4404 -34.522 -17.4404 45.2093 8.57543 -34.5219 8.57546 -18.2585 GPRESSAVG: 1825800 -36.6167 -18.083 -34.639 -16.8137 45.7171 8.24439 -34.6882 7.51325 -17.9461 TIMING: 1825800 CPU: 5432.13, 0.00295529/step Wall: 5432.13, 0.00295529/step, 2.60575 hours remaining, 206.144531 MB of memory in use. ENERGY: 1825800 746.1655 2101.8632 1958.4642 108.3244 -206293.7100 17930.3436 0.0000 0.0000 34252.0941 -149196.4548 299.1321 -183448.5489 -149093.4049 299.3938 59.3339 91.0413 556243.4732 -2.8584 -2.9486 PRESSURE: 1826000 -8.08594 58.913 104.894 58.9132 175.274 40.3183 104.894 40.3165 -230.515 GPRESSURE: 1826000 3.9797 137.118 117.853 -30.9341 226.322 -25.8843 244.959 -67.8237 -185.137 PRESSAVG: 1826000 -28.209 -58.1017 35.6846 -58.1017 59.5988 35.2301 35.6846 35.2301 10.549 GPRESSAVG: 1826000 -27.0904 -58.5276 35.647 -57.8577 60.6155 35.6098 35.9746 36.4902 9.40762 TIMING: 1826000 CPU: 5432.72, 0.00297669/step Wall: 5432.72, 0.00297669/step, 2.62445 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: 1826000 732.0283 2079.3951 1944.3242 124.2981 -206351.0724 17910.7226 0.0000 0.0000 34220.3776 -149339.9265 298.8551 -183560.3041 -149250.1419 300.2483 -21.1091 15.0549 557780.8269 13.9796 14.3109 PRESSURE: 1826200 -240.55 19.0393 -76.0487 19.0395 -59.3852 -43.5472 -76.0489 -43.5483 65.3359 GPRESSURE: 1826200 -185.693 -54.6505 -18.8109 58.483 -26.3472 -92.9625 -179.852 -92.4099 73.4103 PRESSAVG: 1826200 6.50598 22.0067 -17.216 22.0067 6.14353 -0.366977 -17.2161 -0.367021 2.93986 GPRESSAVG: 1826200 6.82465 19.9457 -17.493 22.04 5.2076 -0.826089 -15.5367 -1.80928 3.67051 TIMING: 1826200 CPU: 5433.31, 0.00295475/step Wall: 5433.31, 0.00295475/step, 2.60494 hours remaining, 206.144531 MB of memory in use. ENERGY: 1826200 734.2762 2106.4986 1951.2094 115.6513 -205910.0390 17729.4748 0.0000 0.0000 34336.3277 -148936.6011 299.8677 -183272.9287 -148837.5569 299.8040 -78.1996 -46.2100 558431.1019 5.1965 5.2343 PRESSURE: 1826400 20.4928 -261.286 -257.549 -261.286 -160.88 -123.635 -257.55 -123.634 233.208 GPRESSURE: 1826400 21.0962 -261.018 -234.987 -236.21 -103.581 -115.148 -232.897 -111.333 273.424 PRESSAVG: 1826400 31.3718 3.29996 -18.2662 3.29996 -33.5515 -48.1062 -18.2663 -48.1063 27.7208 GPRESSAVG: 1826400 30.4572 3.92621 -17.415 4.15998 -31.3749 -47.7256 -20.7375 -45.521 26.2379 TIMING: 1826400 CPU: 5433.91, 0.00298398/step Wall: 5433.91, 0.00298398/step, 2.63055 hours remaining, 206.144531 MB of memory in use. ENERGY: 1826400 764.7484 2133.1472 1924.5074 119.3654 -206137.3639 17856.4449 0.0000 0.0000 34439.8756 -148899.2750 300.7720 -183339.1506 -148804.1293 300.2680 30.9403 63.6463 558391.4256 8.5137 8.4401 PRESSURE: 1826600 113.009 210.065 -14.5598 210.063 -90.038 -109.728 -14.5592 -109.727 179.757 GPRESSURE: 1826600 126.967 197.93 -16.1392 189.51 -42.9862 -209.056 -3.80153 -106.925 213.624 PRESSAVG: 1826600 31.1093 -23.5826 -87.9852 -23.5826 -42.817 -55.3705 -87.9852 -55.3705 -36.1013 GPRESSAVG: 1826600 30.525 -22.734 -88.5905 -23.2082 -44.6194 -57.4199 -87.2192 -57.0441 -34.0989 TIMING: 1826600 CPU: 5434.51, 0.00298294/step Wall: 5434.51, 0.00298294/step, 2.62947 hours remaining, 206.144531 MB of memory in use. ENERGY: 1826600 711.4705 2109.2882 1928.8606 110.4481 -205651.3738 17852.4670 0.0000 0.0000 34218.8956 -148719.9438 298.8421 -182938.8395 -148629.8258 299.9536 67.5759 99.2016 558757.0646 -15.9363 -16.0644 PRESSURE: 1826800 53.1258 -72.285 2.22271 -72.2856 82.6008 129.304 2.22371 129.304 -127.941 GPRESSURE: 1826800 119.742 -80.6034 113.688 -51.4531 136.935 136.797 -147.706 128.618 -146.787 PRESSAVG: 1826800 -8.72359 39.4752 -18.2734 39.4752 54.4901 12.5355 -18.2734 12.5354 5.71277 GPRESSAVG: 1826800 -7.45767 38.0556 -19.0761 39.9307 54.6758 14.3009 -19.4184 12.5416 4.33618 TIMING: 1826800 CPU: 5435.11, 0.00301673/step Wall: 5435.11, 0.00301673/step, 2.65908 hours remaining, 206.144531 MB of memory in use. ENERGY: 1826800 817.4819 2086.4595 1937.5488 118.5027 -206031.8187 17985.0198 0.0000 0.0000 34495.1088 -148591.6971 301.2544 -183086.8059 -148498.9508 300.8896 2.5950 36.6298 559159.3081 17.1598 17.1848 PRESSURE: 1827000 -19.5137 -15.4488 -20.9301 -15.4497 -311.592 -17.6532 -20.9302 -17.6532 -350.979 GPRESSURE: 1827000 7.49774 -65.5773 -171.975 -27.6647 -309.493 -71.584 76.347 -80.4378 -280.177 PRESSAVG: 1827000 -32.9483 7.34689 -28.4861 7.34688 -22.421 -61.4703 -28.4861 -61.4703 45.3913 GPRESSAVG: 1827000 -33.0831 8.19933 -29.1993 6.68415 -22.5482 -61.9156 -27.9983 -60.2551 45.9226 TIMING: 1827000 CPU: 5435.71, 0.00300358/step Wall: 5435.71, 0.00300358/step, 2.64732 hours remaining, 206.144531 MB of memory in use. ENERGY: 1827000 770.4547 2127.7275 1963.2846 117.4119 -205220.9936 17402.5853 0.0000 0.0000 34125.3782 -148714.1513 298.0254 -182839.5296 -148616.1443 301.0777 -227.3614 -194.0572 559757.2206 -3.3260 -3.2362 PRESSURE: 1827200 -144.113 8.47514 -72.2155 8.47425 52.9291 18.5525 -72.215 18.5526 155.774 GPRESSURE: 1827200 -43.1834 -42.7472 -81.0947 89.4777 95.7323 42.3008 -83.0808 9.61927 115.428 PRESSAVG: 1827200 -23.6927 -0.863803 -30.9031 -0.863687 -19.0067 -59.9993 -30.9032 -59.9994 16.2953 GPRESSAVG: 1827200 -23.4107 -1.08944 -30.8605 -1.31247 -17.8906 -59.7158 -31.421 -61.426 14.9975 TIMING: 1827200 CPU: 5436.31, 0.00297968/step Wall: 5436.31, 0.00297968/step, 2.62609 hours remaining, 206.144531 MB of memory in use. ENERGY: 1827200 720.8657 2155.2174 1936.6144 118.6054 -205751.8130 17734.6199 0.0000 0.0000 34386.0462 -148699.8439 300.3019 -183085.8902 -148600.6870 299.8097 21.5301 55.9924 559374.0418 -8.8014 -8.7679 PRESSURE: 1827400 -144.941 -114.827 50.9567 -114.828 -209.952 39.9271 50.9567 39.9259 -12.0931 GPRESSURE: 1827400 -93.462 -26.8137 91.8178 -213.304 -181.915 47.1231 -49.8201 16.7829 -2.11509 PRESSAVG: 1827400 -24.0792 -30.89 32.2652 -30.89 -31.4865 -42.8639 32.2652 -42.864 39.2704 GPRESSAVG: 1827400 -24.8142 -31.9143 32.8523 -31.84 -32.2747 -41.7856 34.1276 -42.8519 40.3166 TIMING: 1827400 CPU: 5436.9, 0.00297205/step Wall: 5436.9, 0.00297205/step, 2.6192 hours remaining, 206.144531 MB of memory in use. ENERGY: 1827400 726.1414 2109.6914 1934.7024 112.6955 -205632.6430 17434.6445 0.0000 0.0000 34454.5583 -148860.2096 300.9002 -183314.7678 -148760.8934 299.9545 -122.3287 -92.4973 558982.4593 -5.4318 -5.5907 PRESSURE: 1827600 -33.1017 -84.5508 28.9976 -84.5509 -117.964 -35.1905 28.9976 -35.1905 -36.8408 GPRESSURE: 1827600 70.2773 -35.8478 15.6007 -151.27 -192.045 32.274 -51.9029 -48.5472 18.1788 PRESSAVG: 1827600 50.4542 13.097 7.03128 13.097 -45.6327 -46.835 7.03124 -46.835 14.8926 GPRESSAVG: 1827600 49.025 15.0922 6.68759 13.0857 -44.637 -45.804 6.60696 -46.9996 14.877 TIMING: 1827600 CPU: 5437.5, 0.00296849/step Wall: 5437.5, 0.0029685/step, 2.6159 hours remaining, 206.144531 MB of memory in use. ENERGY: 1827600 743.9559 2128.7707 1927.5925 102.6143 -206088.9898 17802.0418 0.0000 0.0000 34598.7594 -148785.2551 302.1596 -183384.0145 -148682.5479 300.2279 -62.6354 -34.5295 558929.6570 6.5714 6.4217 PRESSURE: 1827800 -578.862 53.8993 4.91774 53.9 -86.2671 84.7242 4.91811 84.7258 -398.544 GPRESSURE: 1827800 -543.256 96.9925 -7.53696 72.7706 -44.4898 51.1891 10.0695 174.472 -395.748 PRESSAVG: 1827800 3.33509 0.484299 11.6008 0.484318 -32.2226 -20.3019 11.6007 -20.3019 35.1316 GPRESSAVG: 1827800 3.88589 -1.52598 12.1082 1.17845 -32.1343 -22.5086 11.2653 -20.6458 34.4455 TIMING: 1827800 CPU: 5438.1, 0.00300393/step Wall: 5438.1, 0.00300393/step, 2.64696 hours remaining, 206.144531 MB of memory in use. ENERGY: 1827800 775.8651 2126.4139 1929.9754 110.2030 -205046.2498 17092.0910 0.0000 0.0000 34331.8099 -148679.8916 299.8282 -183011.7015 -148580.8534 301.1252 -354.5576 -327.8313 559388.5079 2.0814 2.0657 PRESSURE: 1828000 60.0281 -10.3632 80.6825 -10.3627 105.312 -79.385 80.6825 -79.3853 206.619 GPRESSURE: 1828000 77.525 90.3776 0.684591 -49.1982 134.632 -83.8969 88.7335 -162.538 244.602 PRESSAVG: 1828000 -33.836 -20.1556 -16.5781 -20.1556 -11.1503 22.9189 -16.5782 22.919 67.5485 GPRESSAVG: 1828000 -34.677 -18.3699 -15.6366 -20.4821 -12.4697 24.931 -16.5886 24.2819 69.5376 TIMING: 1828000 CPU: 5438.7, 0.00300446/step Wall: 5438.7, 0.00300446/step, 2.64727 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: 1828000 711.1263 2090.1652 1937.6354 104.7859 -205690.1515 17715.7788 0.0000 0.0000 34459.0922 -148671.5677 300.9398 -183130.6599 -148576.9531 300.3394 123.9863 152.2532 557189.1463 7.5208 7.4636 PRESSURE: 1828200 34.0647 -46.9975 -63.1152 -46.9984 151.561 -60.8672 -63.1165 -60.8684 209.698 GPRESSURE: 1828200 40.6627 1.44534 -30.1152 -53.174 258.94 -58.7911 -49.8754 -29.6269 187.739 PRESSAVG: 1828200 15.7783 60.6965 26.989 60.6964 -11.9593 39.8888 26.9889 39.8889 14.9187 GPRESSAVG: 1828200 15.7453 61.7706 27.2773 59.1391 -11.4133 37.3159 26.8834 39.0111 14.8946 TIMING: 1828200 CPU: 5439.3, 0.00299996/step Wall: 5439.3, 0.00299996/step, 2.64313 hours remaining, 206.144531 MB of memory in use. ENERGY: 1828200 723.2628 2035.4009 1948.8837 128.3860 -206354.2306 18032.0692 0.0000 0.0000 34692.1655 -148794.0625 302.9753 -183486.2279 -148695.8591 299.9001 131.7748 162.4471 557465.4681 6.2459 6.4089 LDB: ============= START OF LOAD BALANCING ============== 5442.73 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5442.73 LDB: =============== DONE WITH MIGRATION ================ 5442.73 LDB: ============= START OF LOAD BALANCING ============== 5443.03 LDB: Largest compute 4821 load 0.022003 is 18.7% of average load 0.117962 LDB: Average compute 0.001729 is 1.5% of average load 0.117962 LDB: TIME 5443.03 LOAD: AVG 0.117962 MAX 0.199438 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 5443.03 LOAD: AVG 0.117962 MAX 0.199438 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.145 MB LDB: TIME 5443.03 LOAD: AVG 0.117962 MAX 0.199438 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.145 MB LDB: ============== END OF LOAD BALANCING =============== 5443.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5443.04 PRESSURE: 1828400 12.5465 -83.7783 65.9365 -83.7793 -69.2536 51.3982 65.9362 51.3987 113.076 GPRESSURE: 1828400 32.7578 -11.1469 112.226 -131.546 -53.103 85.1309 108.178 19.8671 167.117 PRESSAVG: 1828400 -17.4549 4.84611 -29.4017 4.84603 16.6086 6.69088 -29.4016 6.69092 -2.36294 GPRESSAVG: 1828400 -16.8144 3.61211 -30.157 6.07285 17.0325 9.66563 -29.3615 5.56487 -3.28936 TIMING: 1828400 CPU: 5439.91, 0.00305297/step Wall: 5439.91, 0.00305297/step, 2.68967 hours remaining, 204.917969 MB of memory in use. ENERGY: 1828400 787.7695 2112.3055 1929.6274 105.3544 -206173.8872 17890.4603 0.0000 0.0000 34230.1154 -149118.2546 298.9401 -183348.3701 -149024.9109 299.3451 18.7896 48.9239 557806.7556 -1.0698 -1.0238 PRESSURE: 1828600 95.4527 -48.2405 42.1779 -48.2408 -187.523 28.5804 42.1776 28.5814 -13.6795 GPRESSURE: 1828600 160.639 -35.2806 -26.1748 -32.3273 -154.867 -88.5437 82.5511 19.8126 2.83217 PRESSAVG: 1828600 -20.4432 -46.8282 -11.6811 -46.8282 14.1489 33.9497 -11.681 33.9498 18.1433 GPRESSAVG: 1828600 -21.1917 -48.1427 -11.8913 -46.441 14.5514 33.0693 -12.8534 34.883 19.3107 TIMING: 1828600 CPU: 5440.51, 0.00299499/step Wall: 5440.51, 0.00299499/step, 2.63842 hours remaining, 204.917969 MB of memory in use. ENERGY: 1828600 750.6548 2079.1059 1954.1706 116.3543 -205852.7711 17773.9552 0.0000 0.0000 34255.5013 -148923.0290 299.1618 -183178.5303 -148824.6986 299.3087 -35.2499 2.8679 559794.2646 3.9497 4.2235 PRESSURE: 1828800 -147.665 90.3973 -34.6368 90.3957 -272.065 68.6762 -34.6377 68.6756 -58.662 GPRESSURE: 1828800 -76.694 49.2634 -61.9852 109.203 -258.208 92.6782 -42.688 74.95 -61.7419 PRESSAVG: 1828800 9.11303 12.9498 39.0529 12.9499 -27.129 22.0499 39.0529 22.0499 9.09612 GPRESSAVG: 1828800 10.7878 13.4345 39.2636 15.1383 -27.9094 19.7918 40.1106 23.419 8.67343 TIMING: 1828800 CPU: 5441.11, 0.00300114/step Wall: 5441.11, 0.00300114/step, 2.64367 hours remaining, 204.917969 MB of memory in use. ENERGY: 1828800 741.1401 2051.1357 1937.6179 117.5887 -205618.7246 17549.5885 0.0000 0.0000 34225.8511 -148995.8026 298.9029 -183221.6537 -148901.4273 299.4901 -159.4639 -132.2145 559656.4689 -2.9733 -2.8161 PRESSURE: 1829000 19.6422 -20.057 153.343 -20.0571 -306.086 42.215 153.344 42.2146 -4.86638 GPRESSURE: 1829000 28.3449 -85.9995 209.702 23.8606 -314.319 69.2034 169.063 -13.1877 99.1885 PRESSAVG: 1829000 -0.914981 -26.7352 17.1897 -26.7353 -11.108 14.7871 17.1898 14.7871 -46.4238 GPRESSAVG: 1829000 -1.89531 -26.3514 16.2723 -29.7709 -10.3559 17.1422 17.3836 15.9616 -46.3287 TIMING: 1829000 CPU: 5441.7, 0.00295517/step Wall: 5441.7, 0.00295517/step, 2.60301 hours remaining, 204.917969 MB of memory in use. ENERGY: 1829000 744.4920 2099.0214 1942.7279 111.7657 -205911.3722 17770.7435 0.0000 0.0000 34080.5155 -149162.1062 297.6336 -183242.6217 -149065.8333 299.7418 -97.1032 -62.2620 559828.0612 -19.4823 -19.5267 PRESSURE: 1829200 -135.409 -48.1273 35.0796 -48.1279 -318.381 152.493 35.0803 152.492 24.1427 GPRESSURE: 1829200 -114.852 -76.8551 32.3938 -29.2761 -314.778 182.73 0.43669 149.061 98.3883 PRESSAVG: 1829200 7.50188 -21.9705 -1.90476 -21.9706 -22.3234 40.3351 -1.90478 40.335 39.4976 GPRESSAVG: 1829200 8.04863 -22.3557 -1.7395 -21.2399 -22.5113 39.3069 -2.76495 39.032 38.2079 TIMING: 1829200 CPU: 5442.29, 0.00296301/step Wall: 5442.29, 0.00296301/step, 2.60975 hours remaining, 204.917969 MB of memory in use. ENERGY: 1829200 743.7903 2088.7349 1964.7706 113.9515 -205703.6622 17521.2982 0.0000 0.0000 34224.1690 -149046.9476 298.8882 -183271.1166 -148952.8451 299.4993 -143.2155 -110.4140 559279.7591 8.2254 7.9151 PRESSURE: 1829400 -20.0678 -36.0122 94.4665 -36.0109 134.746 -60.0004 94.4664 -59.9997 -120.633 GPRESSURE: 1829400 2.18484 -30.4227 58.6209 3.25553 150.942 -58.1644 79.6524 -79.451 -76.02 PRESSAVG: 1829400 -27.414 19.52 13.4918 19.5201 3.99456 -7.97218 13.4918 -7.97221 30.3055 GPRESSAVG: 1829400 -27.9607 18.9562 11.7845 20.3754 2.69786 -8.11404 13.6142 -8.62788 31.9079 TIMING: 1829400 CPU: 5442.89, 0.00298114/step Wall: 5442.89, 0.00298114/step, 2.62556 hours remaining, 204.917969 MB of memory in use. ENERGY: 1829400 760.7758 2068.8714 1951.7569 114.1098 -206013.4044 17806.2987 0.0000 0.0000 34360.5703 -148951.0215 300.0794 -183311.5919 -148858.3078 299.5645 -1.9848 25.7023 558167.9641 2.2953 2.2150 PRESSURE: 1829600 -199.729 138.123 23.3088 138.123 30.1139 170.973 23.309 170.975 -294.392 GPRESSURE: 1829600 -189.6 166.752 21.974 139.559 43.7935 127.533 86.7795 185.412 -229.027 PRESSAVG: 1829600 21.7136 52.4018 26.4877 52.4019 -58.3849 41.5081 26.4878 41.508 23.4823 GPRESSAVG: 1829600 21.2897 51.5464 27.8763 52.2994 -57.6047 43.6783 28.1797 41.0195 22.8652 TIMING: 1829600 CPU: 5443.48, 0.00298613/step Wall: 5443.48, 0.00298613/step, 2.62979 hours remaining, 204.917969 MB of memory in use. ENERGY: 1829600 774.3445 2072.9807 1943.5316 104.1626 -205681.0870 17524.5738 0.0000 0.0000 34373.5155 -148887.9782 300.1925 -183261.4937 -148790.3633 300.3534 -154.6688 -124.9444 558105.4028 -4.3963 -4.4833 PRESSURE: 1829800 194.052 -8.46147 -64.6732 -8.46206 -72.9674 47.1935 -64.6724 47.1942 -102.453 GPRESSURE: 1829800 253.356 -50.9615 -58.8831 -23.6843 -53.4528 136.871 -42.5271 -5.61045 -89.6895 PRESSAVG: 1829800 11.5009 16.6001 27.1832 16.6001 24.4889 26.4412 27.1832 26.4411 -61.4306 GPRESSAVG: 1829800 11.8763 16.7762 26.9332 17.5043 23.3979 25.0042 26.4076 26.9443 -60.9469 TIMING: 1829800 CPU: 5444.08, 0.00295813/step Wall: 5444.08, 0.00295813/step, 2.60496 hours remaining, 204.917969 MB of memory in use. ENERGY: 1829800 704.7185 2127.4522 1930.5570 112.4970 -205697.6299 17613.2415 0.0000 0.0000 34403.2537 -148805.9100 300.4522 -183209.1637 -148713.1620 300.1231 6.2106 36.7378 558872.4286 -8.4803 -8.5576 PRESSURE: 1830000 -181.027 -95.77 27.6815 -95.7716 193.531 91.138 27.6806 91.1393 -74.2867 GPRESSURE: 1830000 -126.584 -172.356 39.464 -59.4918 219.326 69.638 -19.793 205.506 -48.3296 PRESSAVG: 1830000 -50.3133 -20.8223 -10.4773 -20.8222 30.2544 76.2825 -10.4772 76.2824 54.4948 GPRESSAVG: 1830000 -50.1617 -20.3806 -9.33673 -23.6611 30.9151 79.4017 -11.3898 74.815 53.976 TIMING: 1830000 CPU: 5444.66, 0.00293982/step Wall: 5444.66, 0.00293982/step, 2.58867 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: 1830000 739.3630 2122.1498 1953.8230 117.2830 -206179.1265 17901.0756 0.0000 0.0000 34413.2107 -148932.2213 300.5391 -183345.4320 -148837.7020 300.0988 -20.5941 14.8043 558287.1562 11.4786 11.5765 PRESSURE: 1830200 143.985 -56.8204 32.5252 -56.8187 -13.3789 -18.9755 32.5256 -18.9756 79.2914 GPRESSURE: 1830200 185.285 17.2449 -27.4221 -51.4548 -21.7545 22.7759 113.441 -141.153 141.772 PRESSAVG: 1830200 23.4938 -59.3477 -0.327801 -59.3478 -17.657 33.4882 -0.327761 33.4882 -11.4968 GPRESSAVG: 1830200 22.628 -59.1437 -1.90421 -58.1566 -17.0601 30.5856 1.07395 35.0478 -11.6944 TIMING: 1830200 CPU: 5445.25, 0.00295497/step Wall: 5445.25, 0.00295497/step, 2.60185 hours remaining, 204.917969 MB of memory in use. ENERGY: 1830200 718.5578 2058.0370 1985.9025 115.8762 -206088.4566 17915.0198 0.0000 0.0000 34370.0293 -148925.0339 300.1620 -183295.0632 -148831.5955 300.7091 69.9660 101.7675 557772.6787 -1.8867 -2.0422 PRESSURE: 1830400 -210.17 -21.0867 -105.965 -21.0862 48.0502 -99.6135 -105.964 -99.6126 33.9005 GPRESSURE: 1830400 -173.929 45.6186 -32.6209 -82.2777 150.757 -161.172 -148.286 -106.993 -6.18724 PRESSAVG: 1830400 9.69842 -20.1719 46.162 -20.172 24.2503 -52.2371 46.162 -52.2371 -23.1666 GPRESSAVG: 1830400 10.1464 -20.6075 46.6776 -20.9973 23.3844 -51.7754 46.0228 -51.792 -22.7379 TIMING: 1830400 CPU: 5445.84, 0.00295122/step Wall: 5445.84, 0.00295122/step, 2.59838 hours remaining, 204.917969 MB of memory in use. ENERGY: 1830400 723.5973 2036.3978 1973.7407 104.2950 -206073.6559 17790.9916 0.0000 0.0000 34368.1164 -149076.5169 300.1453 -183444.6334 -148978.3619 299.2841 -42.7396 -9.7864 559101.8875 3.5940 3.5976 PRESSURE: 1830600 -138.006 -166.227 -52.168 -166.228 56.3547 -53.2712 -52.1673 -53.2694 -179.28 GPRESSURE: 1830600 -100.35 -131.886 -0.212089 -245.563 61.8201 -110.073 -91.7592 -70.6788 -130.738 PRESSAVG: 1830600 -5.27867 6.91175 -49.8446 6.9117 50.7845 1.96622 -49.8445 1.96625 -35.2251 GPRESSAVG: 1830600 -5.01804 8.1298 -51.0059 7.04325 49.9197 1.97353 -49.7605 2.89969 -35.5807 TIMING: 1830600 CPU: 5446.44, 0.00297177/step Wall: 5446.44, 0.00297177/step, 2.61631 hours remaining, 204.917969 MB of memory in use. ENERGY: 1830600 740.3462 2073.5148 1930.3979 121.3568 -206027.0520 17716.3738 0.0000 0.0000 34336.9212 -149108.1412 299.8729 -183445.0624 -149006.3641 299.3863 -86.9771 -56.4227 558860.9591 3.4269 3.1070 PRESSURE: 1830800 -37.1648 94.2743 -21.6493 94.274 113.161 -29.5616 -21.6488 -29.5593 -260.125 GPRESSURE: 1830800 -29.7217 66.7034 -18.3651 172.165 133.737 -0.666742 -75.4389 31.2579 -195.038 PRESSAVG: 1830800 -63.114 20.4897 7.58963 20.4898 -4.57423 -1.75575 7.58967 -1.7558 2.84008 GPRESSAVG: 1830800 -63.1905 20.6489 7.13013 20.4895 -3.73434 -1.91381 6.77009 -3.67989 2.42818 TIMING: 1830800 CPU: 5447.03, 0.00297624/step Wall: 5447.03, 0.00297624/step, 2.62008 hours remaining, 204.917969 MB of memory in use. ENERGY: 1830800 717.2244 2087.0390 1919.5298 128.5445 -205720.7073 17608.3355 0.0000 0.0000 34089.6070 -149170.4272 297.7130 -183260.0342 -149075.0077 299.1004 -61.3761 -30.3408 558613.3859 -21.6160 -21.4989 PRESSURE: 1831000 243.287 -105.055 10.1451 -105.054 -39.7204 48.6952 10.1456 48.6946 -262.455 GPRESSURE: 1831000 231.535 -122.309 -25.0304 -144.611 14.9372 108.768 2.27125 -14.4744 -199.465 PRESSAVG: 1831000 -41.4528 30.0155 -13.5844 30.0155 82.8279 8.8332 -13.5843 8.83307 30.2162 GPRESSAVG: 1831000 -41.8705 30.5588 -12.5223 30.0016 83.5012 8.32601 -11.9601 10.4233 29.8129 TIMING: 1831000 CPU: 5447.63, 0.00300191/step Wall: 5447.63, 0.00300191/step, 2.64251 hours remaining, 204.917969 MB of memory in use. ENERGY: 1831000 723.4603 2092.6221 1950.6844 107.4150 -206117.3827 17784.1849 0.0000 0.0000 34272.3210 -149186.6949 299.3087 -183459.0159 -149091.6925 299.1375 -19.6294 15.6688 558083.1224 23.8637 23.8146 PRESSURE: 1831200 -55.9966 -7.92592 132.716 -7.92621 71.8031 -219.722 132.716 -219.723 -130.493 GPRESSURE: 1831200 1.67705 -50.313 173.512 -20.0241 125.645 -199.364 88.1065 -163.02 -141.917 PRESSAVG: 1831200 48.9806 -38.8032 14.7534 -38.8033 18.6226 -64.9375 14.7534 -64.9375 -10.9763 GPRESSAVG: 1831200 48.7 -39.5652 14.3002 -36.7797 18.1615 -65.0011 15.1351 -65.2914 -10.4176 TIMING: 1831200 CPU: 5448.23, 0.00298779/step Wall: 5448.23, 0.00298779/step, 2.62992 hours remaining, 204.917969 MB of memory in use. ENERGY: 1831200 724.0918 2073.4982 1944.5439 109.8585 -205876.5790 17592.1529 0.0000 0.0000 34344.6157 -149087.8181 299.9401 -183432.4338 -148986.4241 299.3766 -38.2289 -4.8648 557050.8923 18.8756 18.8146 PRESSURE: 1831400 -63.9665 129.399 -70.4422 129.4 -137.954 -112.616 -70.4431 -112.617 64.2451 GPRESSURE: 1831400 -29.1866 145.216 -22.5128 122.417 -79.1649 -69.1405 -46.7849 -90.5804 51.3671 PRESSAVG: 1831400 4.05489 -20.6225 -1.94361 -20.6226 -5.71704 -31.6432 -1.9437 -31.6431 -27.316 GPRESSAVG: 1831400 4.74606 -20.7729 -1.39807 -20.9287 -5.91543 -30.9101 -1.81023 -32.1869 -28.5561 TIMING: 1831400 CPU: 5448.83, 0.00300647/step Wall: 5448.83, 0.00300647/step, 2.64619 hours remaining, 204.917969 MB of memory in use. ENERGY: 1831400 735.0341 2062.4941 1940.1216 113.7044 -205691.4599 17479.4733 0.0000 0.0000 34313.7325 -149046.9000 299.6704 -183360.6324 -148957.2581 299.2593 -45.8916 -18.9948 557414.9905 -9.6594 -9.9085 PRESSURE: 1831600 -100.59 24.7174 -83.9907 24.7179 -204.507 3.47117 -83.9903 3.47108 -151.827 GPRESSURE: 1831600 -52.3291 -0.49847 -84.9329 -10.3698 -219.665 56.0183 -35.6253 -12.1263 -101.783 PRESSAVG: 1831600 9.69017 -6.32788 16.4725 -6.32788 18.5812 22.2265 16.4725 22.2265 -18.2591 GPRESSAVG: 1831600 9.07051 -7.25015 16.7253 -5.63539 18.7409 22.8231 14.2062 20.2344 -17.8055 TIMING: 1831600 CPU: 5449.43, 0.00298719/step Wall: 5449.43, 0.00298719/step, 2.62906 hours remaining, 204.917969 MB of memory in use. ENERGY: 1831600 743.5897 2057.2038 1946.7029 121.7178 -205758.6838 17555.7387 0.0000 0.0000 34252.4499 -149081.2811 299.1352 -183333.7309 -148979.3384 299.6155 -152.3082 -124.5924 557266.1449 3.3374 3.3353 PRESSURE: 1831800 -22.4964 -109.962 -12.229 -109.961 -186.981 156.103 -12.2287 156.104 -154.825 GPRESSURE: 1831800 -36.8328 -188.402 -59.7803 -74.4927 -136.263 233.054 36.6867 114.44 -106.243 PRESSAVG: 1831800 44.0036 -5.76903 -5.47562 -5.76901 -53.264 -4.05787 -5.47561 -4.05773 -7.53079 GPRESSAVG: 1831800 45.0964 -4.72754 -4.59425 -4.60497 -54.4922 -6.30809 -4.593 -2.16962 -7.17483 TIMING: 1831800 CPU: 5450.03, 0.00299459/step Wall: 5450.03, 0.00299459/step, 2.6354 hours remaining, 204.917969 MB of memory in use. ENERGY: 1831800 719.4674 2094.9828 1968.2602 104.5827 -205832.0402 17525.2322 0.0000 0.0000 34291.5257 -149127.9891 299.4764 -183419.5149 -149035.6356 299.2589 -121.4340 -93.1129 558362.3503 -5.5971 -5.5235 PRESSURE: 1832000 10.0797 56.184 -7.89651 56.1836 16.5377 -56.588 -7.89724 -56.5887 -51.3928 GPRESSURE: 1832000 2.2968 98.525 -104.254 36.2289 26.2162 -36.1402 52.6189 -21.2388 40.8102 PRESSAVG: 1832000 -25.6992 13.0074 7.51155 13.0075 49.1379 17.5964 7.51158 17.5964 -16.5853 GPRESSAVG: 1832000 -27.8479 13.1698 7.03488 10.1456 50.7496 18.8223 8.21244 18.9177 -15.6807 TIMING: 1832000 CPU: 5450.63, 0.00298149/step Wall: 5450.63, 0.00298149/step, 2.62371 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: 1832000 758.5598 2097.3410 1934.7002 115.2229 -206097.5137 17852.1833 0.0000 0.0000 34184.5499 -149154.9566 298.5422 -183339.5065 -149059.4568 298.7651 -8.2585 23.1077 558052.8357 2.2844 2.4070 PRESSURE: 1832200 25.3184 -92.1982 96.186 -92.1974 -58.9333 172.643 96.1863 172.644 -71.1391 GPRESSURE: 1832200 116.439 -91.3628 110.801 -104.949 -49.7544 116.741 67.4015 99.9587 -75.4286 PRESSAVG: 1832200 17.3673 -59.8426 5.86092 -59.8426 41.9452 -19.0404 5.86092 -19.0405 -12.9195 GPRESSAVG: 1832200 19.086 -59.3196 5.54703 -58.0174 41.6735 -17.4722 5.07004 -21.8814 -14.1741 TIMING: 1832200 CPU: 5451.23, 0.00300782/step Wall: 5451.23, 0.00300782/step, 2.64671 hours remaining, 204.917969 MB of memory in use. ENERGY: 1832200 737.1388 2047.8654 1944.3918 119.5426 -206161.7274 17794.7054 0.0000 0.0000 34217.4790 -149300.6043 298.8298 -183518.0833 -149196.8444 298.8261 -34.9180 -2.9148 557459.1258 15.4643 15.5284 LDB: ============= START OF LOAD BALANCING ============== 5454.66 LDB: ============== END OF LOAD BALANCING =============== 5454.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5454.66 LDB: ============= START OF LOAD BALANCING ============== 5454.96 LDB: Largest compute 4847 load 0.021429 is 18.2% of average load 0.118045 LDB: Average compute 0.001718 is 1.5% of average load 0.118045 LDB: TIME 5454.96 LOAD: AVG 0.118045 MAX 0.197719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 5454.96 LOAD: AVG 0.118045 MAX 0.197719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.652 MB LDB: TIME 5454.96 LOAD: AVG 0.118045 MAX 0.197719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5454.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5454.97 PRESSURE: 1832400 111.004 178.348 27.4719 178.349 -200.446 205.837 27.4716 205.835 -20.3059 GPRESSURE: 1832400 125.315 163.59 -34.9824 208.746 -163.189 205.998 87.4973 150.609 24.3891 PRESSAVG: 1832400 51.4461 -13.2744 26.2804 -13.2743 -64.8874 48.8124 26.2805 48.8123 -17.3809 GPRESSAVG: 1832400 51.0522 -12.9078 25.2321 -13.688 -64.6738 49.4741 28.2859 50.1228 -17.3586 TIMING: 1832400 CPU: 5451.84, 0.00305604/step Wall: 5451.84, 0.00305604/step, 2.68897 hours remaining, 205.941406 MB of memory in use. ENERGY: 1832400 743.1459 2100.3573 1930.6148 105.8479 -206148.4953 17829.3953 0.0000 0.0000 34243.9098 -149195.2244 299.0606 -183439.1342 -149102.6436 298.2105 -36.5827 -4.4950 557714.9472 -10.2741 -10.3267 PRESSURE: 1832600 147.958 66.9598 104.451 66.9605 62.0457 281.892 104.449 281.893 -118.468 GPRESSURE: 1832600 138.575 8.79645 169.181 34.776 25.6661 237.4 42.6662 198.707 14.2483 PRESSAVG: 1832600 53.3732 19.9094 -43.6944 19.9093 -47.5752 51.3388 -43.6945 51.3388 -4.25849 GPRESSAVG: 1832600 53.4591 18.7883 -44.403 19.5482 -48.5199 47.2655 -43.2511 52.0232 -2.94851 TIMING: 1832600 CPU: 5452.44, 0.0029993/step Wall: 5452.44, 0.0029993/step, 2.63889 hours remaining, 205.941406 MB of memory in use. ENERGY: 1832600 728.6878 2094.9188 1964.5301 108.4423 -206166.3355 17822.5941 0.0000 0.0000 34395.1408 -149052.0218 300.3813 -183447.1625 -148963.7613 299.0222 30.5119 59.4966 557240.5059 0.5132 0.6636 PRESSURE: 1832800 -9.4252 -86.7936 12.9728 -86.7944 -44.698 -2.59522 12.9731 -2.59743 -125.491 GPRESSURE: 1832800 49.3196 -15.9129 -79.5125 -94.0664 11.1372 27.1971 11.4321 -28.2125 -145.152 PRESSAVG: 1832800 56.9938 25.6352 -65.0355 25.6353 42.6657 9.71009 -65.0354 9.71013 -80.341 GPRESSAVG: 1832800 57.3269 26.6254 -65.1256 24.8581 43.2654 11.1137 -65.9943 8.97946 -80.3127 TIMING: 1832800 CPU: 5453.03, 0.00295237/step Wall: 5453.03, 0.00295237/step, 2.59743 hours remaining, 205.941406 MB of memory in use. ENERGY: 1832800 772.4063 2051.1755 1938.0903 104.1301 -205771.4254 17577.0482 0.0000 0.0000 34312.0806 -149016.4943 299.6559 -183328.5750 -148919.3094 299.3932 -59.8715 -28.2318 557194.7467 6.4395 6.7599 PRESSURE: 1833000 16.4531 74.3376 -5.75105 74.3379 -330.892 28.322 -5.75149 28.3231 -46.2184 GPRESSURE: 1833000 56.9586 80.4951 11.8489 75.0464 -278.478 -0.981316 -9.36862 68.9177 -34.6129 PRESSAVG: 1833000 30.583 70.2109 -39.6993 70.2108 -7.41928 5.56324 -39.6994 5.56323 -19.0659 GPRESSAVG: 1833000 30.9414 68.9106 -38.3988 71.608 -6.72569 7.63553 -41.1244 5.74914 -19.9859 TIMING: 1833000 CPU: 5453.62, 0.00294729/step Wall: 5453.62, 0.00294729/step, 2.5928 hours remaining, 205.941406 MB of memory in use. ENERGY: 1833000 734.3404 2089.4522 1945.8036 105.8336 -205837.0747 17624.8995 0.0000 0.0000 34206.5970 -149130.1483 298.7347 -183336.7453 -149029.7194 299.8508 -120.2192 -85.3774 558448.4504 1.3659 1.4099 PRESSURE: 1833200 98.8049 22.4739 -14.9274 22.4732 77.948 164.835 -14.9278 164.835 32.9726 GPRESSURE: 1833200 106.24 -40.9764 -67.9266 -3.13789 114.161 168.012 0.903092 107.893 76.8665 PRESSAVG: 1833200 44.7072 49.7684 6.17552 49.7685 -58.3928 31.6792 6.17544 31.6792 37.0761 GPRESSAVG: 1833200 44.5711 52.1571 2.84819 50.5532 -59.5797 30.7208 9.74995 30.6744 38.3709 TIMING: 1833200 CPU: 5454.21, 0.0029602/step Wall: 5454.21, 0.0029602/step, 2.60399 hours remaining, 205.941406 MB of memory in use. ENERGY: 1833200 745.3032 2100.5920 1922.9685 112.0746 -206160.1045 17857.1254 0.0000 0.0000 34192.1235 -149229.9173 298.6083 -183422.0408 -149137.6280 299.5685 69.9085 99.0890 557169.2017 7.7968 7.7875 PRESSURE: 1833400 158.468 176.746 57.1985 176.745 224.674 2.91828 57.1981 2.91786 -7.83681 GPRESSURE: 1833400 215.549 171.319 15.8473 153.256 210.533 -8.83179 86.1441 65.6926 37.9097 PRESSAVG: 1833400 27.1476 -36.0065 -15.2874 -36.0064 -2.20707 22.8142 -15.2874 22.8141 -40.0167 GPRESSAVG: 1833400 26.0692 -38.1459 -12.519 -37.5033 0.214658 23.6222 -17.1487 23.0765 -41.871 TIMING: 1833400 CPU: 5454.81, 0.00297877/step Wall: 5454.81, 0.00297877/step, 2.62016 hours remaining, 205.941406 MB of memory in use. ENERGY: 1833400 722.2070 2099.1996 1955.8314 108.9568 -206260.3133 17873.1385 0.0000 0.0000 34094.3133 -149406.6666 297.7541 -183500.9798 -149313.6963 298.2896 125.1017 154.6640 556714.3435 -5.0254 -5.1957 PRESSURE: 1833600 25.2139 83.7177 -88.6265 83.7175 -290.812 102.71 -88.6259 102.71 124.885 GPRESSURE: 1833600 107.13 19.7863 -54.9057 112.789 -303.271 64.3433 -160.932 2.94014 153.338 PRESSAVG: 1833600 27.774 8.56611 -3.06357 8.56605 -4.75927 -57.8328 -3.06349 -57.8328 -10.2384 GPRESSAVG: 1833600 29.601 10.6826 -4.62013 7.37067 -6.49969 -57.7961 -2.20167 -57.414 -10.2611 TIMING: 1833600 CPU: 5455.4, 0.00297588/step Wall: 5455.4, 0.00297588/step, 2.61745 hours remaining, 205.941406 MB of memory in use. ENERGY: 1833600 742.5661 2113.2481 1944.2515 116.0339 -206345.1280 17767.9023 0.0000 0.0000 34124.0160 -149537.1102 298.0135 -183661.1262 -149439.9391 298.7001 -46.9042 -14.2676 557067.7763 4.2588 4.2801 PRESSURE: 1833800 -57.7893 -52.6421 32.8032 -52.6415 -177.675 47.6929 32.8039 47.6938 -119.898 GPRESSURE: 1833800 -43.5775 -39.0857 45.4763 -115.665 -155.316 65.2882 31.8499 42.9861 -71.004 PRESSAVG: 1833800 54.7898 26.6667 -11.8624 26.6667 -44.0055 -11.2413 -11.8625 -11.2412 -12.0658 GPRESSAVG: 1833800 54.0994 26.7983 -11.0791 26.7346 -44.1531 -10.8204 -12.7404 -11.3861 -11.567 TIMING: 1833800 CPU: 5456, 0.00298647/step Wall: 5456, 0.00298647/step, 2.6266 hours remaining, 205.941406 MB of memory in use. ENERGY: 1833800 774.9458 2058.3671 1959.1458 111.8662 -205981.2258 17676.8352 0.0000 0.0000 34120.9895 -149279.0761 297.9871 -183400.0657 -149183.5839 298.3219 -118.4544 -89.9658 558048.6502 -0.4272 -0.5403 PRESSURE: 1834000 58.5461 -82.185 -240.905 -82.1842 28.5661 226.393 -240.904 226.392 -86.1054 GPRESSURE: 1834000 96.773 -85.2716 -170.408 -89.8265 83.9306 243.905 -306.764 178.82 -104.05 PRESSAVG: 1834000 40.5789 -49.1147 -0.0300154 -49.1147 -13.53 58.0933 -0.0301358 58.0933 -19.206 GPRESSAVG: 1834000 41.6667 -50.2919 0.582747 -46.148 -13.7262 56.5249 1.50622 58.8159 -20.0297 TIMING: 1834000 CPU: 5456.59, 0.00297347/step Wall: 5456.59, 0.00297347/step, 2.615 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: 1834000 768.5829 2106.8888 1936.3767 102.2088 -206256.5040 17848.8723 0.0000 0.0000 34162.5718 -149331.0028 298.3502 -183493.5747 -149224.9492 298.1567 0.3356 25.5512 556729.2002 2.6143 2.6369 PRESSURE: 1834200 -292.036 -32.4868 -156.745 -32.4861 41.9843 159.229 -156.743 159.231 78.7297 GPRESSURE: 1834200 -291.154 -107.636 -155.109 -65.1599 49.3828 226.058 -208.252 192.364 163.313 PRESSAVG: 1834200 -11.2195 -9.31988 -24.1055 -9.3198 -9.36239 39.0512 -24.1054 39.0512 33.9633 GPRESSAVG: 1834200 -11.4245 -8.93178 -24.9094 -10.8269 -10.5104 41.8949 -24.2308 39.8591 35.4879 TIMING: 1834200 CPU: 5457.19, 0.00298636/step Wall: 5457.19, 0.00298636/step, 2.62618 hours remaining, 205.941406 MB of memory in use. ENERGY: 1834200 746.4296 2051.5348 1966.7589 100.2422 -205914.8529 17705.9348 0.0000 0.0000 34251.1896 -149092.7631 299.1242 -183343.9527 -148996.8070 298.9802 -57.1073 -26.1526 558927.7130 4.4605 4.5176 PRESSURE: 1834400 -343.063 -38.5191 -87.3066 -38.5199 68.7992 22.2243 -87.3073 22.2253 -220.16 GPRESSURE: 1834400 -279.504 4.75606 -121.13 -61.996 61.3755 -80.4624 -80.0086 28.3325 -192.293 PRESSAVG: 1834400 -52.5646 -4.64491 49.1783 -4.64485 -29.7511 49.7452 49.1782 49.7452 61.5253 GPRESSAVG: 1834400 -53.6733 -3.89843 50.3542 -5.65083 -28.8785 49.1287 47.1952 49.8503 61.3731 TIMING: 1834400 CPU: 5457.79, 0.00297531/step Wall: 5457.79, 0.00297531/step, 2.61629 hours remaining, 205.941406 MB of memory in use. ENERGY: 1834400 747.3385 2097.8060 1942.9189 104.5401 -206147.3328 17743.5117 0.0000 0.0000 34183.2681 -149327.9495 298.5310 -183511.2176 -149241.3758 298.9293 -164.8079 -136.8070 558797.5314 -6.9301 -7.0595 PRESSURE: 1834600 -198.405 215.094 -99.2301 215.093 -187.542 142.119 -99.2302 142.119 -40.8787 GPRESSURE: 1834600 -111.16 202.217 -51.7992 146.617 -129.788 163.652 -51.9312 127.121 -93.3022 PRESSAVG: 1834600 -121.028 25.468 15.0087 25.468 44.9815 -17.9065 15.0087 -17.9065 78.2921 GPRESSAVG: 1834600 -120.571 25.0864 12.2952 26.0434 44.223 -18.4681 17.6879 -18.7914 78.1154 TIMING: 1834600 CPU: 5458.38, 0.00297489/step Wall: 5458.38, 0.00297489/step, 2.61576 hours remaining, 205.941406 MB of memory in use. ENERGY: 1834600 742.4883 2101.8982 1968.9907 116.9805 -205988.2562 17782.0637 0.0000 0.0000 34086.6589 -149189.1760 297.6873 -183275.8349 -149090.7717 298.8712 -142.2751 -111.4167 560128.4068 0.7484 0.5890 PRESSURE: 1834800 -149.652 41.3981 -134.406 41.3988 84.1378 163.628 -134.406 163.628 -102.72 GPRESSURE: 1834800 -107.575 28.6814 -95.5923 94.4265 81.4404 209.449 -166.525 119.753 -36.7557 PRESSAVG: 1834800 6.8892 11.6597 -50.6945 11.6596 -109.094 20.552 -50.6944 20.552 93.458 GPRESSAVG: 1834800 6.2673 11.7847 -47.5189 11.9794 -107.468 19.2522 -53.5859 21.4501 92.767 TIMING: 1834800 CPU: 5458.97, 0.00296031/step Wall: 5458.97, 0.00296031/step, 2.60277 hours remaining, 205.941406 MB of memory in use. ENERGY: 1834800 719.0961 2094.0531 1983.7387 121.7748 -206154.2911 17632.4155 0.0000 0.0000 34283.9135 -149319.2994 299.4099 -183603.2129 -149221.5120 299.3889 -56.0779 -20.9633 557647.9460 -2.9158 -2.8113 PRESSURE: 1835000 225.717 5.45835 229.86 5.45872 150.368 -182.373 229.859 -182.372 218.569 GPRESSURE: 1835000 242.977 13.2933 199.674 -64.7774 176.861 -203.762 239.231 -115.862 264.366 PRESSAVG: 1835000 14.9518 -7.61209 -58.8364 -7.61213 -61.4501 -42.8817 -58.8364 -42.8818 17.605 GPRESSAVG: 1835000 13.4911 -8.59104 -59.7405 -9.45589 -61.5345 -41.3474 -57.3023 -43.8075 19.04 TIMING: 1835000 CPU: 5459.56, 0.00295291/step Wall: 5459.56, 0.00295291/step, 2.5961 hours remaining, 205.941406 MB of memory in use. ENERGY: 1835000 746.5219 2159.4155 1944.1686 121.2469 -206466.2068 18146.2420 0.0000 0.0000 33900.8196 -149447.7923 296.0643 -183348.6119 -149367.1492 299.1433 198.2179 228.0682 556700.6359 -9.6311 -9.6678 PRESSURE: 1835200 -209.946 9.29636 -145.618 9.29642 -31.0418 -231.485 -145.619 -231.485 -21.6735 GPRESSURE: 1835200 -209.488 51.9189 -161.701 -91.6125 -6.12569 -175.656 -130.685 -292.85 49.1535 PRESSAVG: 1835200 -35.1806 15.9309 -17.9153 15.9308 -5.52647 -36.7385 -17.9153 -36.7383 81.6787 GPRESSAVG: 1835200 -32.9004 17.9029 -18.4676 15.3675 -6.262 -37.5514 -16.8123 -35.875 80.51 TIMING: 1835200 CPU: 5460.15, 0.00293995/step Wall: 5460.15, 0.00293995/step, 2.58455 hours remaining, 205.941406 MB of memory in use. ENERGY: 1835200 744.7766 2119.5436 1963.2392 114.0740 -206350.1631 17857.5297 0.0000 0.0000 34243.2053 -149307.7946 299.0544 -183550.9999 -149213.3618 298.7410 -87.5538 -55.4869 557914.5387 13.6572 13.7825 PRESSURE: 1835400 -239.411 -28.7358 -133.476 -28.7361 -332.507 -47.7844 -133.476 -47.7844 -200.755 GPRESSURE: 1835400 -208.104 24.6641 -106.065 -17.2129 -236.16 -29.9466 -62.2841 7.26998 -237.657 PRESSAVG: 1835400 26.6577 49.1241 -26.4315 49.1241 -8.0901 29.1254 -26.4315 29.1253 -23.6284 GPRESSAVG: 1835400 25.3547 48.8361 -26.0617 50.7763 -6.58932 30.6749 -26.6774 28.1248 -24.7006 TIMING: 1835400 CPU: 5460.74, 0.00295069/step Wall: 5460.74, 0.00295069/step, 2.59382 hours remaining, 205.941406 MB of memory in use. ENERGY: 1835400 749.2789 2086.9058 1948.5803 113.3518 -205904.6111 17542.8648 0.0000 0.0000 34229.0024 -149234.6271 298.9304 -183463.6295 -149145.2948 299.1673 -257.5579 -227.3068 558104.1874 -1.6869 -1.9784 PRESSURE: 1835600 -113.8 1.37034 5.7748 1.3714 34.1737 -178.421 5.77392 -178.421 24.8048 GPRESSURE: 1835600 -29.9369 38.3532 38.3264 -57.9637 30.7678 -146.958 -37.5423 -222.005 46.1942 PRESSAVG: 1835600 -50.7172 -19.4546 -8.78481 -19.4546 25.3401 -26.2402 -8.78492 -26.2403 40.9351 GPRESSAVG: 1835600 -50.8632 -20.9673 -8.31474 -19.9092 23.5765 -26.7347 -9.3988 -26.2626 42.7402 TIMING: 1835600 CPU: 5461.33, 0.00296438/step Wall: 5461.33, 0.00296438/step, 2.60569 hours remaining, 205.941406 MB of memory in use. ENERGY: 1835600 729.5160 2119.3573 1939.1430 109.5246 -205869.8774 17652.0947 0.0000 0.0000 34158.8254 -149161.4163 298.3175 -183320.2417 -149062.8092 298.7735 -18.2739 15.6750 558174.6300 5.1860 5.1512 PRESSURE: 1835800 246.622 -220.956 111.199 -220.957 213.216 0.278557 111.2 0.278687 306.257 GPRESSURE: 1835800 331.376 -334.492 123.154 -208.116 238.99 -76.6093 167.498 90.8372 277.642 PRESSAVG: 1835800 26.0693 -69.6821 23.31 -69.6822 97.9777 9.4298 23.31 9.42977 -60.5735 GPRESSAVG: 1835800 25.7899 -68.6002 21.544 -68.1131 98.012 9.89351 22.3382 8.78792 -60.7749 TIMING: 1835800 CPU: 5461.93, 0.00298036/step Wall: 5461.93, 0.00298036/step, 2.61957 hours remaining, 205.941406 MB of memory in use. ENERGY: 1835800 741.7609 2083.2087 1934.7359 114.5870 -206638.7547 18163.5745 0.0000 0.0000 34263.7141 -149337.1736 299.2335 -183600.8877 -149241.6951 299.3906 255.3650 282.6693 556024.1293 21.1578 21.0090 PRESSURE: 1836000 -141.417 -87.962 11.9814 -87.9627 -145.03 45.6358 11.9807 45.6337 35.9952 GPRESSURE: 1836000 -55.3454 -112.024 7.72592 -110.923 -54.5842 71.0174 59.3038 17.4619 -24.3616 PRESSAVG: 1836000 -16.3614 -60.3052 22.0325 -60.3051 -18.396 -0.793048 22.0325 -0.793034 32.6568 GPRESSAVG: 1836000 -15.3853 -59.1305 24.7035 -62.3159 -19.4622 -1.38569 22.216 -1.89193 32.7768 TIMING: 1836000 CPU: 5462.53, 0.0029881/step Wall: 5462.53, 0.0029881/step, 2.62621 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: 1836000 772.3931 2073.6477 1941.9182 113.1302 -206203.6962 17830.4903 0.0000 0.0000 34207.5805 -149264.5363 298.7433 -183472.1167 -149165.7638 298.2480 -83.4842 -44.7637 558379.8930 -0.7002 -0.6902 PRESSURE: 1836200 -81.4692 170.528 121.076 170.527 -254.444 -36.3193 121.075 -36.3205 -304.533 GPRESSURE: 1836200 -83.8077 225.385 178.339 145.476 -220.405 34.5332 -19.8959 -9.26528 -235.522 PRESSAVG: 1836200 -10.0591 -29.2649 7.55147 -29.265 -31.2272 -30.5282 7.55143 -30.5282 29.3864 GPRESSAVG: 1836200 -10.3943 -32.0292 7.26976 -26.7987 -31.1296 -31.8471 7.37958 -27.7176 29.1384 TIMING: 1836200 CPU: 5463.12, 0.00296381/step Wall: 5463.12, 0.00296381/step, 2.60469 hours remaining, 205.941406 MB of memory in use. ENERGY: 1836200 737.9085 2137.5269 1940.5614 113.2068 -205821.3932 17541.4371 0.0000 0.0000 34185.2541 -149165.4985 298.5483 -183350.7526 -149065.4292 298.8027 -213.4824 -179.9114 559290.3244 -3.9666 -4.1285 LDB: ============= START OF LOAD BALANCING ============== 5466.55 LDB: ============== END OF LOAD BALANCING =============== 5466.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5466.55 LDB: ============= START OF LOAD BALANCING ============== 5466.85 LDB: Largest compute 4847 load 0.023819 is 20.2% of average load 0.118043 LDB: Average compute 0.001721 is 1.5% of average load 0.118043 LDB: TIME 5466.85 LOAD: AVG 0.118043 MAX 0.199121 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.918 MB LDB: TIME 5466.85 LOAD: AVG 0.118043 MAX 0.199121 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 5466.85 LOAD: AVG 0.118043 MAX 0.199121 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: ============== END OF LOAD BALANCING =============== 5466.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5466.85 PRESSURE: 1836400 63.0897 -119.227 13.7957 -119.228 -25.4319 -39.0813 13.7944 -39.0801 173.177 GPRESSURE: 1836400 83.574 -7.00559 -43.6791 -134.877 -5.31347 -119.507 34.9148 -8.02767 231.156 PRESSAVG: 1836400 -22.3361 -38.8639 -6.58758 -38.864 -40.0489 -52.499 -6.58753 -52.499 127.539 GPRESSAVG: 1836400 -20.9781 -36.874 -7.23919 -40.7619 -40.2118 -49.935 -6.61476 -54.1871 126.504 TIMING: 1836400 CPU: 5463.73, 0.00302093/step Wall: 5463.73, 0.00302093/step, 2.65472 hours remaining, 206.453125 MB of memory in use. ENERGY: 1836400 747.5623 2097.7844 1939.2444 113.1711 -206219.1274 17900.0266 0.0000 0.0000 34171.9988 -149249.3399 298.4326 -183421.3386 -149153.1678 299.2374 70.2783 103.1389 557137.0150 21.7181 21.7714 PRESSURE: 1836600 -481.815 -223.236 -67.9362 -223.237 -247.167 -38.0955 -67.9354 -38.0956 -280.668 GPRESSURE: 1836600 -427.531 -311.285 -136.659 -66.9953 -233.096 -73.4889 -63.4713 2.88503 -244.65 PRESSAVG: 1836600 26.508 -37.5872 -51.2924 -37.5872 -31.2774 5.33114 -51.2924 5.33116 36.7427 GPRESSAVG: 1836600 25.8647 -39.9421 -50.809 -36.442 -30.6098 4.54013 -52.9133 5.55381 36.5718 TIMING: 1836600 CPU: 5464.32, 0.00296395/step Wall: 5464.32, 0.00296395/step, 2.60448 hours remaining, 206.453125 MB of memory in use. ENERGY: 1836600 756.9058 2085.9317 1957.7157 120.9230 -205788.8670 17270.0819 0.0000 0.0000 34083.5306 -149513.7784 297.6599 -183597.3089 -149417.2207 298.6033 -336.5501 -301.7589 556885.2318 10.6577 10.6089 PRESSURE: 1836800 -118.063 12.0789 264.096 12.077 64.2973 -66.9277 264.097 -66.9281 -78.0937 GPRESSURE: 1836800 -52.9139 7.83074 304.555 12.3847 40.1939 -13.3192 201.712 -139.31 -21.5147 PRESSAVG: 1836800 -89.3751 -19.0074 -11.5358 -19.0075 40.7577 30.0062 -11.5358 30.0062 76.996 GPRESSAVG: 1836800 -89.1267 -18.8035 -11.0591 -19.2543 39.9606 28.9497 -10.5122 27.8436 77.6268 TIMING: 1836800 CPU: 5464.91, 0.00296116/step Wall: 5464.91, 0.00296116/step, 2.60187 hours remaining, 206.453125 MB of memory in use. ENERGY: 1836800 765.3063 2038.0904 1934.0787 114.7654 -206398.7332 17920.8945 0.0000 0.0000 34247.1275 -149378.4703 299.0887 -183625.5979 -149283.1800 298.5569 -43.9530 -11.4115 557029.1851 9.4595 9.4869 PRESSURE: 1837000 57.6298 116.022 -39.1958 116.022 -116.733 -49.3176 -39.1973 -49.3155 -104.435 GPRESSURE: 1837000 109.496 92.0026 -91.8151 96.6438 -111.5 -94.6854 48.6909 29.5395 -69.7896 PRESSAVG: 1837000 77.8912 -19.7422 30.2623 -19.7422 -50.8968 -13.5295 30.2623 -13.5293 -1.80717 GPRESSAVG: 1837000 77.6821 -17.2847 29.3213 -21.0089 -51.0376 -15.0994 31.7286 -8.90846 -1.67792 TIMING: 1837000 CPU: 5465.5, 0.00296841/step Wall: 5465.5, 0.00296841/step, 2.60808 hours remaining, 206.453125 MB of memory in use. ENERGY: 1837000 768.0405 2123.0621 1960.2451 125.0367 -206159.5130 17710.2101 0.0000 0.0000 34063.9887 -149408.9298 297.4893 -183472.9185 -149319.1391 298.3957 -54.5127 -23.9311 557451.9007 8.3958 8.3222 PRESSURE: 1837200 45.6806 63.0066 -12.4148 63.0065 -105.437 -79.0688 -12.4147 -79.068 -158.567 GPRESSURE: 1837200 46.4653 -4.81516 -24.2025 144.141 -73.2293 -163.041 -0.838528 -103.339 -97.7226 PRESSAVG: 1837200 82.2695 -24.3777 8.78549 -24.3778 -85.4901 -20.0369 8.78546 -20.0369 -14.8409 GPRESSAVG: 1837200 81.0577 -26.772 11.7989 -23.5063 -85.0917 -17.1127 5.92613 -24.0847 -13.854 TIMING: 1837200 CPU: 5466.1, 0.00296277/step Wall: 5466.1, 0.00296277/step, 2.60296 hours remaining, 206.453125 MB of memory in use. ENERGY: 1837200 780.8172 2082.1401 1942.2372 135.1742 -206585.9578 17839.5176 0.0000 0.0000 34415.5896 -149390.4819 300.5599 -183806.0716 -149290.6059 298.9800 -72.7747 -41.4955 557339.9308 -6.0205 -5.9627 PRESSURE: 1837400 -73.1342 -53.8141 -76.0079 -53.8135 -125.08 -268.511 -76.0085 -268.511 117.178 GPRESSURE: 1837400 -45.254 -74.5331 -93.6406 -69.4819 -118.034 -278.19 -11.4767 -246.775 173.431 PRESSAVG: 1837400 74.9049 17.4333 -33.1986 17.4333 -62.0546 -2.32546 -33.1986 -2.32549 16.0338 GPRESSAVG: 1837400 76.1229 17.4385 -35.2044 17.4419 -61.8889 -5.62242 -31.9705 0.401363 14.8639 TIMING: 1837400 CPU: 5466.69, 0.00295449/step Wall: 5466.69, 0.00295449/step, 2.59552 hours remaining, 206.453125 MB of memory in use. ENERGY: 1837400 804.5752 2109.2313 1948.8167 117.6092 -206601.7259 18025.8830 0.0000 0.0000 34334.2433 -149261.3672 299.8495 -183595.6105 -149164.4373 299.1496 -27.0121 3.3809 557777.1504 9.6280 9.6993 PRESSURE: 1837600 152.202 135.842 -112.81 135.842 49.0466 -67.8958 -112.811 -67.896 -215.635 GPRESSURE: 1837600 112.719 74.7025 -68.5875 248.028 163.907 -88.9193 -137.397 -19.5552 -183.9 PRESSAVG: 1837600 34.6848 -32.2043 -28.6017 -32.2043 -51.0971 -47.1831 -28.6016 -47.1831 16.0876 GPRESSAVG: 1837600 34.6692 -31.0143 -30.8473 -33.6534 -51.5467 -46.607 -27.7497 -48.9725 16.6995 TIMING: 1837600 CPU: 5467.28, 0.00296721/step Wall: 5467.28, 0.00296721/step, 2.60653 hours remaining, 206.453125 MB of memory in use. ENERGY: 1837600 783.7468 2086.8645 1967.7408 118.1856 -206173.4848 17745.3968 0.0000 0.0000 34212.5011 -149259.0493 298.7863 -183471.5503 -149151.9646 299.1355 -4.7957 30.9087 555301.9616 -0.1083 -0.0593 PRESSURE: 1837800 2.41343 169.695 115.284 169.695 -176.833 144.766 115.285 144.766 -224.79 GPRESSURE: 1837800 42.5295 189.228 165.536 103.286 -49.7412 98.5279 95.2252 34.5772 -299.198 PRESSAVG: 1837800 64.7 4.48229 -28.1168 4.48232 -12.2878 -0.711458 -28.1168 -0.711432 -38.7132 GPRESSAVG: 1837800 64.9607 5.83962 -23.8039 4.98789 -11.6282 -0.50495 -31.09 0.622997 -39.5464 TIMING: 1837800 CPU: 5467.87, 0.00296359/step Wall: 5467.87, 0.00296359/step, 2.60318 hours remaining, 206.453125 MB of memory in use. ENERGY: 1837800 739.7905 2157.1997 1964.3624 122.7604 -206219.5519 17635.0521 0.0000 0.0000 34292.6600 -149307.7269 299.4863 -183600.3869 -149213.0363 299.3915 -133.0698 -102.1365 556533.6178 4.5664 4.5954 PRESSURE: 1838000 38.4751 4.25531 9.72471 4.25548 40.7081 95.0624 9.72521 95.0636 -265.306 GPRESSURE: 1838000 26.8292 -76.7256 -0.387205 13.2393 96.8176 215.285 11.6603 35.9459 -231.884 PRESSAVG: 1838000 71.6123 -16.7063 31.5059 -16.7063 -18.1981 -5.80031 31.5059 -5.80027 -78.2744 GPRESSAVG: 1838000 72.1313 -17.2948 28.1327 -15.6208 -18.6709 -4.30994 35.0235 -6.76039 -77.7609 TIMING: 1838000 CPU: 5468.47, 0.00297995/step Wall: 5468.47, 0.00297995/step, 2.61739 hours remaining, 206.453125 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: 1838000 751.4223 2089.1180 1961.8941 121.8655 -206344.0835 17751.8349 0.0000 0.0000 34288.5517 -149379.3970 299.4505 -183667.9487 -149288.2181 299.1473 -62.0410 -36.0791 556617.1806 -8.2867 -8.1002 PRESSURE: 1838200 15.1907 -55.4561 -5.86556 -55.4556 -116.475 -74.934 -5.86625 -74.9352 -8.48201 GPRESSURE: 1838200 20.9324 -116.699 -79.1574 -24.5264 -51.8355 -99.9357 33.9776 -57.5375 16.246 PRESSAVG: 1838200 -35.6482 -9.33721 -16.8181 -9.33719 13.5138 45.7569 -16.8181 45.7568 24.031 GPRESSAVG: 1838200 -36.7619 -10.3542 -15.0969 -11.9965 12.9039 44.7872 -19.0254 46.1473 25.3177 TIMING: 1838200 CPU: 5469.07, 0.00299914/step Wall: 5469.07, 0.00299914/step, 2.63407 hours remaining, 206.453125 MB of memory in use. ENERGY: 1838200 759.8742 2095.4492 1940.6575 121.0547 -206398.2952 17924.4740 0.0000 0.0000 34196.1443 -149360.6413 298.6434 -183556.7856 -149265.7911 299.0152 -36.5886 -4.8857 556467.8012 0.6322 0.4866 PRESSURE: 1838400 103.791 -71.4278 60.0581 -71.4284 53.868 28.4987 60.0587 28.4988 -234.633 GPRESSURE: 1838400 157.276 -134.104 26.0397 46.3675 111.772 44.534 127.455 -1.33291 -232.689 PRESSAVG: 1838400 38.1478 -4.03172 6.87494 -4.03162 -0.902571 8.30643 6.8749 8.30627 -46.6722 GPRESSAVG: 1838400 38.5665 -3.60821 6.00626 -1.04538 0.324295 9.20388 8.21555 8.63017 -48.543 TIMING: 1838400 CPU: 5469.66, 0.00296573/step Wall: 5469.66, 0.00296573/step, 2.60457 hours remaining, 206.453125 MB of memory in use. ENERGY: 1838400 779.9747 2113.8685 1956.8917 111.1336 -206443.9113 17934.2809 0.0000 0.0000 34265.7554 -149282.0063 299.2514 -183547.7618 -149180.9040 299.0220 -25.6580 12.1198 556040.1271 -3.1423 -3.2174 PRESSURE: 1838600 -13.5918 12.1285 54.7145 12.1298 -116.618 21.8306 54.7144 21.8297 4.74852 GPRESSURE: 1838600 83.8347 59.495 57.1268 -1.44181 -144.907 49.0487 90.604 8.67788 43.6236 PRESSAVG: 1838600 63.6381 5.61198 -11.9655 5.61207 -38.9981 10.6182 -11.9656 10.6183 -30.8699 GPRESSAVG: 1838600 63.196 6.11526 -11.4717 5.46925 -39.053 9.14965 -13.3028 10.6138 -30.5158 TIMING: 1838600 CPU: 5470.25, 0.00294841/step Wall: 5470.25, 0.00294841/step, 2.5892 hours remaining, 206.453125 MB of memory in use. ENERGY: 1838600 723.7365 2062.6597 1915.6724 118.4417 -206211.6893 17855.0495 0.0000 0.0000 34190.7481 -149345.3813 298.5963 -183536.1294 -149256.2039 298.9230 -41.8203 -5.8162 556763.0198 -2.0766 -2.1243 PRESSURE: 1838800 -176.281 -69.322 189.756 -69.3208 -295.141 121.759 189.756 121.76 146.989 GPRESSURE: 1838800 -181.248 -60.9369 239.656 -53.1034 -222.87 137.738 140.076 131.502 174.827 PRESSAVG: 1838800 -27.6945 11.4717 24.3567 11.4717 -65.0627 4.70153 24.3567 4.70148 65.6188 GPRESSAVG: 1838800 -28.1843 10.081 23.8352 11.8555 -65.3781 4.01434 25.1768 5.3339 65.7304 TIMING: 1838800 CPU: 5470.84, 0.00295374/step Wall: 5470.84, 0.00295374/step, 2.59371 hours remaining, 206.453125 MB of memory in use. ENERGY: 1838800 764.8015 2061.0520 1932.4446 113.5518 -205959.9299 17693.8461 0.0000 0.0000 34286.5342 -149107.6997 299.4328 -183394.2339 -149004.8032 299.3715 -108.1443 -76.4301 556407.8737 -9.0461 -9.2773 PRESSURE: 1839000 -253.832 22.2908 187.997 22.2907 -42.9207 -107.691 187.997 -107.691 -120.8 GPRESSURE: 1839000 -243.85 -45.0057 176.204 19.7124 -48.5131 -30.62 179.191 -178.184 -26.2373 PRESSAVG: 1839000 23.8012 -6.80529 -15.5954 -6.80544 -17.7856 36.5993 -15.5953 36.5993 -20.0472 GPRESSAVG: 1839000 23.9032 -6.65473 -14.7848 -5.64334 -18.4124 38.0077 -15.3164 34.494 -19.1953 TIMING: 1839000 CPU: 5471.43, 0.0029434/step Wall: 5471.43, 0.0029434/step, 2.58447 hours remaining, 206.453125 MB of memory in use. ENERGY: 1839000 704.8409 2074.2626 1938.4155 127.6942 -206037.0062 17722.5354 0.0000 0.0000 34120.9741 -149348.2835 297.9870 -183469.2576 -149245.6276 299.3394 -139.1841 -106.2000 559137.9793 -4.6772 -4.5682 PRESSURE: 1839200 145.205 -59.6328 -227.852 -59.6322 -11.7261 -46.8015 -227.853 -46.8025 26.7425 GPRESSURE: 1839200 198.946 -22.543 -348.768 -86.2456 6.80524 -55.2659 -144.744 -2.01819 55.3769 PRESSAVG: 1839200 20.4127 30.7031 5.23751 30.7032 -15.7595 -50.6972 5.23754 -50.6972 35.2088 GPRESSAVG: 1839200 21.6314 32.5073 5.09346 27.6742 -16.0837 -48.9948 5.92283 -49.4995 34.3705 TIMING: 1839200 CPU: 5472.03, 0.00297305/step Wall: 5472.03, 0.00297305/step, 2.61033 hours remaining, 206.453125 MB of memory in use. ENERGY: 1839200 743.3110 2053.3772 1948.7494 120.8833 -206347.5404 17866.9648 0.0000 0.0000 34263.2441 -149351.0106 299.2294 -183614.2547 -149256.0145 298.5219 53.4071 87.0428 555930.8638 13.2873 13.3061 PRESSURE: 1839400 46.0979 3.64021 22.4327 3.63961 6.78821 57.6784 22.4332 57.6792 -85.0198 GPRESSURE: 1839400 57.5223 -108.411 -32.8533 1.01363 -5.01029 65.7146 53.6854 41.8077 19.4218 PRESSAVG: 1839400 18.7163 -2.82588 -9.8031 -2.82596 -64.079 45.6037 -9.80319 45.6037 -22.7227 GPRESSAVG: 1839400 17.964 -3.37051 -9.87655 -2.38613 -62.1315 43.7315 -10.4672 44.8093 -23.431 TIMING: 1839400 CPU: 5472.62, 0.00295247/step Wall: 5472.62, 0.00295247/step, 2.5921 hours remaining, 206.453125 MB of memory in use. ENERGY: 1839400 770.4478 2065.6716 1952.1369 108.6619 -205980.5704 17687.9147 0.0000 0.0000 34084.6980 -149311.0395 297.6701 -183395.7375 -149218.8730 298.7214 -10.7112 23.9780 555903.9872 -22.6951 -22.5328 PRESSURE: 1839600 -269.184 -126.533 -227.207 -126.534 -159.823 -50.7043 -227.207 -50.7045 32.7219 GPRESSURE: 1839600 -259.547 -55.1637 -217.984 -199.208 -110.95 -22.2842 -279.535 -16.5845 68.4074 PRESSAVG: 1839600 -83.0223 -38.4901 -40.8541 -38.4901 23.8099 -35.0162 -40.854 -35.0162 72.4647 GPRESSAVG: 1839600 -82.0172 -37.3429 -42.1797 -38.7687 22.778 -34.1354 -41.0418 -35.3372 72.3921 TIMING: 1839600 CPU: 5473.21, 0.00295606/step Wall: 5473.21, 0.00295606/step, 2.59509 hours remaining, 206.453125 MB of memory in use. ENERGY: 1839600 706.9806 2094.9811 1955.4929 113.0743 -205853.4456 17693.8521 0.0000 0.0000 33975.0547 -149314.0099 296.7126 -183289.0647 -149217.1870 298.3566 -132.0950 -100.6964 558772.5907 4.4174 4.3843 PRESSURE: 1839800 90.5761 6.53985 -33.8343 6.53915 -166.065 -23.8514 -33.8343 -23.8507 -71.3579 GPRESSURE: 1839800 73.1083 8.83543 -10.6244 -5.02972 -104.543 8.83969 23.7368 -129.842 -31.2727 PRESSAVG: 1839800 14.359 14.7063 -15.6628 14.7063 -19.1218 -47.2766 -15.6628 -47.2767 -19.5513 GPRESSAVG: 1839800 13.5288 12.9448 -15.1282 14.2713 -18.4696 -47.7338 -15.7775 -48.7122 -19.4755 TIMING: 1839800 CPU: 5473.8, 0.00298264/step Wall: 5473.8, 0.00298264/step, 2.61826 hours remaining, 206.453125 MB of memory in use. ENERGY: 1839800 733.1484 2096.5449 1936.0027 115.1899 -206429.2438 17831.3266 0.0000 0.0000 34304.4570 -149412.5744 299.5894 -183717.0314 -149314.8219 298.2144 -48.9488 -20.9026 557620.3068 -8.1047 -8.1388 PRESSURE: 1840000 24.3071 11.4087 -18.1712 11.4084 169.073 59.2789 -18.172 59.2813 80.2091 GPRESSURE: 1840000 53.6959 33.662 -54.8389 3.83727 251.744 148.336 42.9857 14.5268 63.9056 PRESSAVG: 1840000 41.2741 -28.901 -26.9493 -28.9011 20.3259 -50.3377 -26.9493 -50.3377 -94.6539 GPRESSAVG: 1840000 41.4449 -28.987 -25.8515 -27.2319 20.902 -51.757 -27.6945 -47.4745 -94.986 TIMING: 1840000 CPU: 5474.4, 0.00296399/step Wall: 5474.4, 0.00296399/step, 2.60173 hours remaining, 206.453125 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: 1840000 714.7327 2045.6554 1938.9658 104.4532 -206835.2187 18150.2551 0.0000 0.0000 34374.6409 -149506.5157 300.2023 -183881.1566 -149398.1234 298.7682 91.1964 123.1151 558256.1084 -11.0180 -10.8797 PRESSURE: 1840200 -122.779 36.4621 147.473 36.4608 -157.57 105.46 147.474 105.46 -87.2974 GPRESSURE: 1840200 -182.895 43.2889 105.586 109.148 -38.117 80.0287 144.575 86.8763 -43.1482 PRESSAVG: 1840200 -49.5402 18.2941 2.29116 18.2942 54.4319 -5.65239 2.29119 -5.65238 -4.63191 GPRESSAVG: 1840200 -49.3406 18.3167 0.643722 18.5246 53.6219 -4.49628 3.21291 -5.59472 -3.57495 TIMING: 1840200 CPU: 5475, 0.00299438/step Wall: 5475, 0.00299438/step, 2.62824 hours remaining, 206.453125 MB of memory in use. ENERGY: 1840200 782.7755 2049.1952 1978.2902 112.8849 -206503.0475 17903.6669 0.0000 0.0000 34123.1700 -149553.0649 298.0061 -183676.2348 -149459.4000 299.1253 -122.5489 -88.0533 558880.4825 0.0866 0.2354 LDB: ============= START OF LOAD BALANCING ============== 5478.42 LDB: ============== END OF LOAD BALANCING =============== 5478.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5478.42 LDB: ============= START OF LOAD BALANCING ============== 5478.72 LDB: Largest compute 4821 load 0.021778 is 18.5% of average load 0.118012 LDB: Average compute 0.001725 is 1.5% of average load 0.118012 LDB: TIME 5478.72 LOAD: AVG 0.118012 MAX 0.197227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 5478.72 LOAD: AVG 0.118012 MAX 0.197227 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: TIME 5478.72 LOAD: AVG 0.118012 MAX 0.197227 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5478.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5478.73 PRESSURE: 1840400 248.217 166.219 66.6359 166.221 196.941 82.9888 66.6366 82.9867 -8.20488 GPRESSURE: 1840400 231.534 181.378 28.7635 181.318 256.93 180.079 84.918 19.6773 48.6951 PRESSAVG: 1840400 -15.8259 -2.67086 58.8617 -2.67084 28.9141 -20.7736 58.8618 -20.7738 -3.89498 GPRESSAVG: 1840400 -15.7467 -1.86541 61.2098 -4.08898 28.6569 -20.7869 58.7058 -20.9658 -3.6226 TIMING: 1840400 CPU: 5475.6, 0.00300814/step Wall: 5475.6, 0.00300814/step, 2.64014 hours remaining, 205.359375 MB of memory in use. ENERGY: 1840400 766.5035 2105.4662 1980.4639 111.9227 -206674.9594 18142.3856 0.0000 0.0000 34170.1856 -149398.0320 298.4167 -183568.2176 -149306.4173 299.0049 145.6511 179.0532 557069.8072 3.0644 3.0959 PRESSURE: 1840600 -62.5613 -170.35 120.318 -170.352 -143.619 -11.6115 120.318 -11.6122 -156.195 GPRESSURE: 1840600 22.603 -147.973 87.4281 -234.852 -151.427 -70.0948 21.1208 24.609 -125.73 PRESSAVG: 1840600 29.1995 -56.6785 13.3345 -56.6785 -74.4524 -22.5167 13.3346 -22.5166 52.1945 GPRESSAVG: 1840600 28.1477 -57.2775 11.9731 -57.8078 -73.9529 -22.753 9.64373 -23.0964 53.2571 TIMING: 1840600 CPU: 5476.19, 0.00295542/step Wall: 5476.19, 0.00295542/step, 2.59371 hours remaining, 205.562500 MB of memory in use. ENERGY: 1840600 752.3445 2055.7097 1968.9056 114.8561 -206258.8070 17818.5889 0.0000 0.0000 34122.4592 -149425.9431 297.9999 -183548.4023 -149329.5253 298.3854 -120.7916 -84.8513 558973.7357 2.3139 2.4839 PRESSURE: 1840800 87.441 -28.5653 -5.52048 -28.5646 170.009 78.5442 -5.52087 78.545 -113.135 GPRESSURE: 1840800 169.213 -138.774 -4.43298 37.9858 184.584 24.3761 -30.7659 146.146 -116.375 PRESSAVG: 1840800 81.7538 -13.734 -10.0414 -13.7339 -22.6574 27.2858 -10.0414 27.2858 -15.5682 GPRESSAVG: 1840800 82.6513 -13.3165 -9.68566 -12.0115 -23.2764 26.8491 -7.06991 28.7378 -16.6896 TIMING: 1840800 CPU: 5476.78, 0.00295697/step Wall: 5476.78, 0.00295697/step, 2.59491 hours remaining, 205.562500 MB of memory in use. ENERGY: 1840800 749.1147 2064.3714 1950.2477 108.5500 -206434.1144 18039.1361 0.0000 0.0000 34191.5624 -149331.1320 298.6034 -183522.6944 -149231.5654 298.7590 48.1049 79.1405 558165.4074 14.5094 14.2284 PRESSURE: 1841000 -205.833 45.3367 -95.4095 45.3355 -17.1649 64.8446 -95.4098 64.8432 -152.541 GPRESSURE: 1841000 -182.622 -57.4696 -99.4037 116.151 50.5151 102.105 -159.133 72.6291 -135.943 PRESSAVG: 1841000 14.7581 8.08708 -17.642 8.08705 30.6983 60.131 -17.642 60.131 -48.0069 GPRESSAVG: 1841000 13.6878 8.99707 -16.8771 9.18357 31.6948 60.2396 -20.3356 60.9789 -48.1456 TIMING: 1841000 CPU: 5477.37, 0.00295834/step Wall: 5477.37, 0.00295834/step, 2.59594 hours remaining, 205.562500 MB of memory in use. ENERGY: 1841000 746.3247 2068.0614 1959.7760 101.9926 -206411.1132 17767.9941 0.0000 0.0000 34167.9901 -149598.9744 298.3976 -183766.9645 -149495.7064 299.1691 -125.1796 -89.3501 558204.6773 -0.8502 -0.9210 PRESSURE: 1841200 -263.778 175.296 -73.1411 175.296 -36.0683 109.757 -73.1415 109.756 65.2675 GPRESSURE: 1841200 -179.759 159.929 -83.6033 210.191 -46.1353 115.822 -20.4654 65.2436 81.5188 PRESSAVG: 1841200 8.05377 -19.2914 -44.1229 -19.2913 12.4821 19.4181 -44.1229 19.4182 -4.51804 GPRESSAVG: 1841200 8.15971 -17.762 -46.1339 -20.1912 13.3988 21.0012 -43.6606 16.705 -5.4991 TIMING: 1841200 CPU: 5477.96, 0.00294107/step Wall: 5477.96, 0.00294107/step, 2.58062 hours remaining, 205.562500 MB of memory in use. ENERGY: 1841200 770.4705 2074.3770 1939.2109 109.8479 -206302.2160 17812.3200 0.0000 0.0000 34067.4470 -149528.5428 297.5195 -183595.9898 -149433.1444 298.2863 -78.1930 -48.1251 557939.5762 5.3393 5.3531 PRESSURE: 1841400 -145.638 73.3066 -109.793 73.3079 -56.9774 132.935 -109.793 132.935 -204.278 GPRESSURE: 1841400 -100.377 35.7794 -91.1534 88.8785 -38.0745 141.475 -35.4847 118.463 -178.906 PRESSAVG: 1841400 -34.9119 -23.2516 -0.809288 -23.2516 4.32826 17.2598 -0.8093 17.2597 1.45425 GPRESSAVG: 1841400 -33.8701 -25.0159 -0.205596 -23.0186 2.54503 14.2036 0.658168 17.7785 1.89628 TIMING: 1841400 CPU: 5478.55, 0.00295073/step Wall: 5478.55, 0.00295073/step, 2.58894 hours remaining, 205.562500 MB of memory in use. ENERGY: 1841400 776.2695 2108.8490 1971.9864 115.5855 -205942.3566 17648.1942 0.0000 0.0000 33990.8278 -149330.6442 296.8504 -183321.4720 -149235.5750 298.5351 -135.6312 -105.7859 557953.5809 -9.7098 -9.8096 PRESSURE: 1841600 -320.721 7.77699 115.897 7.77676 -2.62164 41.0928 115.898 41.0935 -245.52 GPRESSURE: 1841600 -322.125 -34.9918 132.951 4.52946 43.7342 32.4549 114.47 109.651 -192.029 PRESSAVG: 1841600 4.77317 0.911841 -93.4355 0.911836 15.2315 21.2527 -93.4355 21.2527 -83.5244 GPRESSAVG: 1841600 4.88258 -1.26823 -93.8679 0.958449 15.827 20.6367 -93.0265 23.8979 -84.1815 TIMING: 1841600 CPU: 5479.14, 0.00294399/step Wall: 5479.14, 0.00294399/step, 2.58286 hours remaining, 205.562500 MB of memory in use. ENERGY: 1841600 726.7104 2073.4283 1925.1608 122.5734 -206078.7378 17666.4567 0.0000 0.0000 34268.5886 -149295.8196 299.2761 -183564.4082 -149190.0705 299.1702 -189.6209 -156.8064 558199.5194 -21.1733 -21.1573 PRESSURE: 1841800 22.5338 -19.056 -50.3404 -19.055 220.751 -59.7443 -50.3394 -59.744 -116.134 GPRESSURE: 1841800 131.589 -45.5697 -11.1275 20.5125 192.222 -96.3644 -106.806 -38.5528 -99.9056 PRESSAVG: 1841800 12.9591 -10.4827 8.56672 -10.4826 15.1636 38.4314 8.56667 38.4315 -25.7458 GPRESSAVG: 1841800 12.2825 -6.99001 7.13035 -12.8502 14.923 39.4484 8.858 38.3811 -24.668 TIMING: 1841800 CPU: 5479.73, 0.00293855/step Wall: 5479.73, 0.00293855/step, 2.57793 hours remaining, 205.562500 MB of memory in use. ENERGY: 1841800 759.1713 2071.0710 1937.3742 112.5237 -206130.6982 17720.1302 0.0000 0.0000 34413.1948 -149117.2331 300.5390 -183530.4279 -149024.6409 299.5339 42.3839 74.6350 556688.2747 0.7923 0.8458 PRESSURE: 1842000 -8.57295 -52.9904 -26.0904 -52.9901 -25.2593 18.1661 -26.0908 18.1672 -135.536 GPRESSURE: 1842000 19.7418 -32.7144 -86.839 -74.7256 -3.06047 -45.3537 -23.292 -0.876823 -89.6955 PRESSAVG: 1842000 20.877 -37.2169 11.0521 -37.2169 15.454 19.267 11.0521 19.267 -18.523 GPRESSAVG: 1842000 20.647 -37.2405 11.2468 -35.8935 16.0498 21.2287 12.7616 17.1239 -19.0034 TIMING: 1842000 CPU: 5480.32, 0.00296354/step Wall: 5480.32, 0.00296354/step, 2.59969 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: 1842000 761.3465 2158.4107 1950.1154 108.4480 -206317.7033 17828.3553 0.0000 0.0000 34339.3919 -149171.6354 299.8945 -183511.0273 -149072.8461 299.9788 -56.4560 -24.3381 556536.2034 5.9360 5.8978 PRESSURE: 1842200 -173.738 215.598 74.3863 215.597 83.0818 65.9758 74.3863 65.9765 -191.529 GPRESSURE: 1842200 -156.899 192.769 136.383 142.369 48.4413 86.5422 70.9309 1.07469 -92.8508 PRESSAVG: 1842200 -84.7568 -5.30203 20.8331 -5.30196 15.0151 14.9598 20.8332 14.9598 24.1393 GPRESSAVG: 1842200 -83.9532 -5.01589 21.9373 -6.44975 13.9285 13.9199 18.1499 15.1579 24.5693 TIMING: 1842200 CPU: 5480.91, 0.0029689/step Wall: 5480.91, 0.0029689/step, 2.60422 hours remaining, 205.562500 MB of memory in use. ENERGY: 1842200 750.9321 2113.3764 1931.5675 125.7593 -206026.1389 17666.3964 0.0000 0.0000 34275.8504 -149162.2569 299.3395 -183438.1073 -149067.5142 299.3410 -94.0615 -67.1027 557280.5827 -15.2008 -15.1518 PRESSURE: 1842400 -204.456 -99.5314 43.9061 -99.5318 -96.9099 48.5173 43.9085 48.5168 -34.8722 GPRESSURE: 1842400 -154.13 -186.302 -51.5807 -59.5198 -143.401 -105.484 63.4507 38.5475 57.914 PRESSAVG: 1842400 -23.2624 -24.0067 -4.77451 -24.0065 -16.706 51.0774 -4.77449 51.0775 64.4845 GPRESSAVG: 1842400 -24.1406 -26.534 -7.16555 -22.4679 -16.6714 50.1214 -4.11194 50.0553 65.3888 TIMING: 1842400 CPU: 5481.51, 0.00296527/step Wall: 5481.51, 0.00296527/step, 2.60087 hours remaining, 205.562500 MB of memory in use. ENERGY: 1842400 756.1783 2117.7184 1963.7452 114.6230 -205957.4692 17551.5892 0.0000 0.0000 34427.4270 -149026.1881 300.6633 -183453.6151 -148921.9794 300.2735 -112.0795 -79.8722 556898.6591 8.1721 8.1923 PRESSURE: 1842600 -189.195 325.068 11.7809 325.068 -119.686 -116.073 11.7812 -116.071 67.5787 GPRESSURE: 1842600 -156.977 347.361 -29.704 295.285 -49.2074 -110.873 -26.2141 -91.3969 60.329 PRESSAVG: 1842600 -55.9863 4.6449 17.278 4.64496 35.2294 -12.6745 17.278 -12.6744 19.6858 GPRESSAVG: 1842600 -55.8981 5.62433 19.4877 5.2227 34.7848 -11.2624 15.9746 -12.4764 19.8363 TIMING: 1842600 CPU: 5482.1, 0.00296609/step Wall: 5482.1, 0.00296609/step, 2.60142 hours remaining, 205.562500 MB of memory in use. ENERGY: 1842600 764.9097 2050.3819 1978.1789 116.9842 -205867.2490 17591.1331 0.0000 0.0000 34317.6547 -149048.0066 299.7046 -183365.6614 -148950.2236 299.4832 -80.4340 -48.6185 556546.5375 -0.3570 -0.4257 PRESSURE: 1842800 91.2335 6.94981 129.956 6.95036 -51.4708 95.9602 129.956 95.9593 62.2281 GPRESSURE: 1842800 108.92 109.733 113.014 -46.4682 13.7975 115.065 117.495 102.463 66.796 PRESSAVG: 1842800 -18.8177 33.5694 15.1064 33.5695 -14.6484 44.6847 15.1065 44.6848 1.2872 GPRESSAVG: 1842800 -19.6649 34.2376 14.6452 33.0261 -13.3351 44.8951 16.9714 45.9901 0.652737 TIMING: 1842800 CPU: 5482.69, 0.0029716/step Wall: 5482.69, 0.0029716/step, 2.60609 hours remaining, 205.562500 MB of memory in use. ENERGY: 1842800 749.9886 2079.7069 1946.0091 114.8095 -206058.4164 17713.2673 0.0000 0.0000 34470.8663 -148983.7687 301.0426 -183454.6350 -148881.8240 299.9802 33.9969 63.1713 556790.5189 -10.7263 -10.7824 PRESSURE: 1843000 -220.403 -30.0037 -210.74 -30.0036 90.6543 55.2162 -210.741 55.2189 -236.911 GPRESSURE: 1843000 -142.503 -11.3733 -153.154 17.2433 79.7854 4.56272 -215.685 89.2295 -190.4 PRESSAVG: 1843000 -17.3827 41.2758 -35.8867 41.2758 43.7907 26.4277 -35.8867 26.4279 -18.2266 GPRESSAVG: 1843000 -16.4347 40.4111 -33.51 40.1735 43.4334 26.2006 -37.5334 26.942 -18.5562 TIMING: 1843000 CPU: 5483.29, 0.00298161/step Wall: 5483.29, 0.00298161/step, 2.61471 hours remaining, 205.562500 MB of memory in use. ENERGY: 1843000 735.2386 2124.9749 1966.7435 120.2139 -205810.5031 17587.8569 0.0000 0.0000 34365.8748 -148909.6006 300.1257 -183275.4754 -148811.6916 300.3126 -122.2200 -84.3725 557370.5590 2.7271 2.8142 PRESSURE: 1843200 215.357 -67.8223 34.8308 -67.8218 -55.5347 -205.778 34.83 -205.779 -22.7767 GPRESSURE: 1843200 220.7 -158.67 -43.4271 -105.518 -1.31122 -203.16 124.548 -210.488 7.00674 PRESSAVG: 1843200 -23.4318 -25.6228 -29.2419 -25.6229 9.8771 -81.9607 -29.2419 -81.9607 -37.7989 GPRESSAVG: 1843200 -24.0456 -24.3246 -30.7827 -25.0124 9.53621 -82.1428 -29.2119 -82.6999 -36.902 TIMING: 1843200 CPU: 5483.89, 0.00299978/step Wall: 5483.89, 0.00299978/step, 2.63047 hours remaining, 205.562500 MB of memory in use. ENERGY: 1843200 778.7930 2131.9155 1967.9466 120.2776 -205891.9006 17885.7760 0.0000 0.0000 34272.3487 -148734.8432 299.3089 -183007.1919 -148633.9617 300.0343 45.6820 75.4653 558319.5384 -17.1178 -17.1371 PRESSURE: 1843400 -8.97706 40.7557 41.3721 40.7565 59.2917 92.3677 41.3736 92.367 -209.65 GPRESSURE: 1843400 55.748 77.1233 -0.160045 24.3824 54.7174 209.612 62.057 -3.6114 -175.103 PRESSAVG: 1843400 15.0408 -38.0224 1.71229 -38.0224 -49.7956 -17.1382 1.71236 -17.1381 0.275741 GPRESSAVG: 1843400 15.0719 -38.2937 2.19199 -38.3947 -49.7528 -17.1374 2.50941 -17.5149 -0.218745 TIMING: 1843400 CPU: 5484.48, 0.00297263/step Wall: 5484.48, 0.00297263/step, 2.6065 hours remaining, 205.562500 MB of memory in use. ENERGY: 1843400 733.4164 2164.3968 1944.4992 118.0415 -205591.7971 17514.9326 0.0000 0.0000 34353.2327 -148763.2778 300.0153 -183116.5105 -148663.4283 300.1162 -53.1118 -21.5457 556129.3839 -11.4930 -11.6332 PRESSURE: 1843600 -111.578 32.5958 -104.375 32.5959 -28.1459 -90.2798 -104.374 -90.2791 17.831 GPRESSURE: 1843600 -56.6456 52.2259 -40.5144 26.0519 26.3579 -173.499 -101.835 55.212 20.6269 PRESSAVG: 1843600 51.9608 43.1969 -12.9597 43.1968 -41.3639 1.50086 -12.9597 1.50088 31.5555 GPRESSAVG: 1843600 51.2833 42.2547 -13.062 43.6524 -41.5313 1.80236 -12.1856 2.06898 32.1984 TIMING: 1843600 CPU: 5485.08, 0.00299254/step Wall: 5485.08, 0.00299254/step, 2.6238 hours remaining, 205.562500 MB of memory in use. ENERGY: 1843600 761.0512 2170.8664 1933.0962 120.1172 -205838.6029 17632.3262 0.0000 0.0000 34373.3700 -148847.7755 300.1912 -183221.1455 -148744.7015 300.2790 -40.6309 -3.2203 556680.1257 14.0508 13.9835 PRESSURE: 1843800 133.405 -60.1791 86.0995 -60.18 -182.408 25.4747 86.0986 25.4742 134.447 GPRESSURE: 1843800 105.785 17.2519 119.267 -104.865 -64.6067 105.959 52.125 -5.69432 149.934 PRESSAVG: 1843800 94.598 6.6018 5.9165 6.60179 -101.402 -18.6005 5.91642 -18.6005 44.5106 GPRESSAVG: 1843800 95.3725 7.19228 6.02942 5.59269 -100.741 -16.5387 5.22659 -19.7645 43.2419 TIMING: 1843800 CPU: 5485.68, 0.00297845/step Wall: 5485.68, 0.00297845/step, 2.61128 hours remaining, 205.562500 MB of memory in use. ENERGY: 1843800 726.3715 2052.0323 1953.0401 124.4365 -205820.8317 17847.8135 0.0000 0.0000 34240.4065 -148876.7313 299.0300 -183117.1378 -148787.0471 299.9924 28.4816 63.7040 558392.4805 12.5688 12.6243 PRESSURE: 1844000 -185.726 80.1785 -149.264 80.179 149.762 -54.4929 -149.265 -54.4933 143.328 GPRESSURE: 1844000 -77.5408 113.143 -96.6881 -13.548 162.233 -67.2876 -111.373 -174.887 110.092 PRESSAVG: 1844000 -25.7455 8.40386 -14.5292 8.40393 -6.99067 -8.59123 -14.5294 -8.59123 10.103 GPRESSAVG: 1844000 -25.505 6.96439 -14.9867 10.6082 -7.99922 -13.4497 -14.5605 -6.15791 11.4582 TIMING: 1844000 CPU: 5486.27, 0.00297707/step Wall: 5486.27, 0.00297707/step, 2.6099 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: 1844000 767.5513 2077.2899 1930.5542 119.7168 -205738.8498 17801.0589 0.0000 0.0000 34225.0211 -148817.6577 298.8956 -183042.6788 -148717.2489 299.7944 35.7880 64.9280 557432.9311 -7.5444 -7.3487 PRESSURE: 1844200 52.2421 -32.5143 -81.6124 -32.5139 37.8141 162.774 -81.6125 162.774 -82.3247 GPRESSURE: 1844200 50.3208 -83.4933 -137.096 35.567 85.7492 131.474 -31.7847 137.155 -30.197 PRESSAVG: 1844200 -30.3315 37.1367 -17.2864 37.1367 0.655844 36.4825 -17.2864 36.4825 47.5492 GPRESSAVG: 1844200 -30.2334 36.8302 -16.6624 36.9849 0.572284 38.2085 -17.4008 34.3262 46.6017 TIMING: 1844200 CPU: 5486.87, 0.00297645/step Wall: 5486.87, 0.00297645/step, 2.60919 hours remaining, 205.562500 MB of memory in use. ENERGY: 1844200 757.5538 2038.5485 1942.6645 123.2982 -205492.3372 17707.4601 0.0000 0.0000 34254.2928 -148668.5193 299.1513 -182922.8121 -148576.9954 300.3718 2.5772 35.2910 557218.9523 5.9579 5.6469 LDB: ============= START OF LOAD BALANCING ============== 5490.3 LDB: ============== END OF LOAD BALANCING =============== 5490.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5490.3 LDB: ============= START OF LOAD BALANCING ============== 5490.6 LDB: Largest compute 4821 load 0.021607 is 18.3% of average load 0.117993 LDB: Average compute 0.001729 is 1.5% of average load 0.117993 LDB: TIME 5490.6 LOAD: AVG 0.117993 MAX 0.198638 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 5490.6 LOAD: AVG 0.117993 MAX 0.198638 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.852 MB LDB: TIME 5490.6 LOAD: AVG 0.117993 MAX 0.198638 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5490.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5490.6 PRESSURE: 1844400 -372.946 -94.9515 52.121 -94.9527 160.037 -304.477 52.121 -304.475 -43.4299 GPRESSURE: 1844400 -363.166 50.924 92.6688 -151.881 179.767 -228.397 15.8762 -228.906 15.6276 PRESSAVG: 1844400 -16.7994 -8.75411 -12.376 -8.75402 69.4432 -0.129396 -12.3761 -0.129461 -23.1682 GPRESSAVG: 1844400 -17.4683 -6.49505 -12.6019 -11.7255 69.3279 1.22197 -10.8789 1.6673 -22.4953 TIMING: 1844400 CPU: 5487.47, 0.00302642/step Wall: 5487.47, 0.00302642/step, 2.65283 hours remaining, 206.710938 MB of memory in use. ENERGY: 1844400 769.7601 2055.9592 1923.5018 109.1249 -205789.4883 17488.4785 0.0000 0.0000 34518.2695 -148924.3943 301.4566 -183442.6638 -148825.2603 300.1367 -85.4465 -55.9240 557180.0885 9.8252 9.7881 PRESSURE: 1844600 -89.6329 1.1536 11.728 1.15429 -377.401 105.812 11.7283 105.81 -32.7896 GPRESSURE: 1844600 -27.7242 93.9928 22.1584 2.17884 -354.965 92.0712 -5.7483 114.576 -8.70138 PRESSAVG: 1844600 0.110255 -8.25782 -38.6795 -8.25779 11.6907 3.91712 -38.6794 3.91705 -16.5477 GPRESSAVG: 1844600 0.193423 -10.7509 -40.6663 -5.5919 11.6021 2.43925 -37.6486 3.22013 -16.2395 TIMING: 1844600 CPU: 5488.06, 0.00293924/step Wall: 5488.06, 0.00293924/step, 2.57625 hours remaining, 206.710938 MB of memory in use. ENERGY: 1844600 763.6830 2044.5988 1919.8355 110.5126 -205903.3008 17521.7812 0.0000 0.0000 34604.9725 -148937.9171 302.2138 -183542.8897 -148848.7554 300.5875 -166.6078 -130.4634 557138.8342 -1.5823 -1.4813 PRESSURE: 1844800 -241.424 -44.7829 -16.3606 -44.783 -152.174 227.362 -16.3601 227.362 -208.865 GPRESSURE: 1844800 -153.562 0.874187 -41.319 -101.827 -169.985 137.272 66.6654 317.878 -181.313 PRESSAVG: 1844800 1.20611 -0.23143 0.756514 -0.231386 38.2308 0.0304325 0.756521 0.0303829 26.0734 GPRESSAVG: 1844800 3.06398 0.892133 2.60178 -1.44227 37.0614 -0.0826117 -1.19246 0.359112 25.4358 TIMING: 1844800 CPU: 5488.65, 0.00295914/step Wall: 5488.65, 0.00295914/step, 2.59352 hours remaining, 206.710938 MB of memory in use. ENERGY: 1844800 785.8863 2102.6412 1916.9806 122.0650 -205767.2065 17527.3911 0.0000 0.0000 34362.0727 -148950.1696 300.0925 -183312.2424 -148850.6284 299.9512 -200.8209 -168.2866 558596.4124 21.8368 21.8537 PRESSURE: 1845000 -39.4942 59.7309 93.3772 59.7315 -138.064 -25.586 93.377 -25.5851 -161.47 GPRESSURE: 1845000 -12.687 51.2731 126.087 -26.6721 -66.8272 -53.3051 95.1468 -22.4071 -155.021 PRESSAVG: 1845000 13.8664 34.8717 -17.6117 34.8717 -26.504 32.7283 -17.6117 32.7282 12.206 GPRESSAVG: 1845000 13.9569 34.4708 -18.5794 35.1253 -25.451 33.6455 -16.2874 31.9856 11.0203 TIMING: 1845000 CPU: 5489.25, 0.00296791/step Wall: 5489.25, 0.00296791/step, 2.60105 hours remaining, 206.710938 MB of memory in use. ENERGY: 1845000 719.8567 2121.3522 1932.9873 112.1534 -205524.6618 17527.0205 0.0000 0.0000 34032.0033 -149079.2884 297.2099 -183111.2917 -148971.9494 299.3780 -113.0095 -78.1785 557929.9217 -0.1439 -0.1579 PRESSURE: 1845200 -149.971 10.4777 3.30594 10.4773 -62.9221 -44.6964 3.30527 -44.6939 236.861 GPRESSURE: 1845200 -134.366 49.6915 14.6635 -3.25091 -39.1414 -69.0333 22.1088 -111.907 285.462 PRESSAVG: 1845200 -61.7328 23.0108 -22.186 23.0107 97.0321 -8.28274 -22.186 -8.28274 -70.2945 GPRESSAVG: 1845200 -62.7269 26.4596 -21.9147 20.0085 97.6745 -7.34361 -23.2418 -7.37557 -70.2811 TIMING: 1845200 CPU: 5489.85, 0.00298736/step Wall: 5489.85, 0.00298736/step, 2.61792 hours remaining, 206.710938 MB of memory in use. ENERGY: 1845200 724.5411 2044.9887 1930.3745 118.5543 -206036.9194 17878.8068 0.0000 0.0000 34442.2526 -148897.4013 300.7928 -183339.6539 -148795.3895 299.9790 7.9893 37.3181 559520.7441 -11.6651 -11.7778 PRESSURE: 1845400 -97.8671 -120.224 32.2234 -120.225 -10.574 -17.2569 32.223 -17.2562 176.979 GPRESSURE: 1845400 -60.3935 -79.2157 88.298 -129.571 93.3193 -31.5396 57.6896 -108.435 138.086 PRESSAVG: 1845400 -16.5919 20.2404 -53.0421 20.2404 12.8317 8.19293 -53.042 8.19301 24.6824 GPRESSAVG: 1845400 -16.3165 18.9822 -49.2077 21.8831 11.7681 5.19818 -55.0854 8.92411 25.5893 TIMING: 1845400 CPU: 5490.44, 0.00296247/step Wall: 5490.44, 0.00296247/step, 2.59595 hours remaining, 206.710938 MB of memory in use. ENERGY: 1845400 682.6291 2008.5442 1938.5773 125.2022 -206085.1570 17908.7128 0.0000 0.0000 34487.1411 -148934.3503 301.1848 -183421.4914 -148841.1720 300.7699 22.8460 57.0041 558580.6973 6.9741 7.0137 PRESSURE: 1845600 100.606 28.8561 -63.9867 28.857 135.913 147.481 -63.9876 147.48 -12.7191 GPRESSURE: 1845600 114.836 29.8434 -88.622 22.4879 147.276 97.3229 -82.0076 120.557 49.2574 PRESSAVG: 1845600 2.62786 -22.6215 4.55599 -22.6214 -23.2293 -17.1348 4.55595 -17.1347 40.0658 GPRESSAVG: 1845600 1.86888 -23.6402 0.126284 -22.637 -22.4354 -15.692 6.93759 -17.2964 39.644 TIMING: 1845600 CPU: 5491.03, 0.00297326/step Wall: 5491.03, 0.00297326/step, 2.60524 hours remaining, 206.710938 MB of memory in use. ENERGY: 1845600 771.2968 2079.0950 1947.2927 113.1653 -205976.1861 17915.6000 0.0000 0.0000 34394.7089 -148755.0274 300.3775 -183149.7364 -148658.1492 300.6443 74.5999 103.7899 558073.0537 6.4881 6.3592 PRESSURE: 1845800 -3.55415 -19.4071 -187.332 -19.4064 -97.7375 -239.639 -187.33 -239.637 -121.569 GPRESSURE: 1845800 19.7359 -14.8281 -79.4078 -27.831 -55.4837 -245.864 -153.91 -180.053 -96.2954 PRESSAVG: 1845800 -53.8924 12.2596 18.4364 12.2597 38.3273 -42.2998 18.4364 -42.2998 48.6432 GPRESSAVG: 1845800 -53.3959 10.059 18.958 14.1267 37.8898 -41.9576 17.6906 -42.9067 48.683 TIMING: 1845800 CPU: 5491.63, 0.00298944/step Wall: 5491.63, 0.00298944/step, 2.61925 hours remaining, 206.710938 MB of memory in use. ENERGY: 1845800 775.8816 2044.8049 1933.6873 107.0089 -205558.4283 17590.6142 0.0000 0.0000 34323.8043 -148782.6270 299.7583 -183106.4314 -148695.3838 299.9031 -74.2868 -44.0144 557779.2688 11.0260 11.0589 PRESSURE: 1846000 -145.994 96.4487 8.30376 96.4492 -59.5358 -89.4235 8.30325 -89.4248 -68.2842 GPRESSURE: 1846000 -127.897 103.391 -14.1286 111.03 -93.5666 -151.229 -25.6355 -38.7703 51.6703 PRESSAVG: 1846000 -28.4937 15.9434 19.9058 15.9434 69.1953 -82.3663 19.9058 -82.3663 -59.4922 GPRESSAVG: 1846000 -29.1139 16.2535 19.9137 14.5732 69.477 -82.0442 18.6339 -82.0203 -59.278 TIMING: 1846000 CPU: 5492.23, 0.00297418/step Wall: 5492.23, 0.00297418/step, 2.60571 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: 1846000 774.8096 2079.3985 1961.7336 124.2465 -205894.8914 17690.4299 0.0000 0.0000 34515.8323 -148748.4411 301.4353 -183264.2733 -148651.9614 299.6192 -91.2713 -56.5978 558550.3041 -6.2635 -6.3049 PRESSURE: 1846200 -156.268 -230.569 -117.699 -230.569 39.69 -16.8231 -117.7 -16.8233 -123.628 GPRESSURE: 1846200 -172.965 -218.138 -37.0497 -218.266 73.5713 -96.834 -119.633 18.6364 -42.4755 PRESSAVG: 1846200 -31.114 41.5743 -60.252 41.5744 26.3738 -56.0073 -60.2519 -56.0073 -25.5038 GPRESSAVG: 1846200 -31.5069 42.9627 -60.1419 43.1762 26.4858 -57.5349 -59.6484 -55.2183 -25.1359 TIMING: 1846200 CPU: 5492.82, 0.00296666/step Wall: 5492.82, 0.00296666/step, 2.59896 hours remaining, 206.710938 MB of memory in use. ENERGY: 1846200 717.8467 2113.4884 1944.5480 112.8008 -206079.2530 17676.4590 0.0000 0.0000 34434.6550 -149079.4551 300.7264 -183514.1101 -148977.4351 300.5779 -80.0684 -47.2897 557836.9283 -10.0813 -10.0523 PRESSURE: 1846400 -208.34 -4.42137 -78.4883 -4.42184 -177.438 58.7878 -78.4882 58.7884 -541.042 GPRESSURE: 1846400 -157.768 -25.4412 -95.6654 22.3707 -127.53 72.5131 -59.2541 31.9298 -550.192 PRESSAVG: 1846400 39.3851 -64.8917 -39.9803 -64.8917 -19.1103 -76.53 -39.9802 -76.5301 -29.3474 GPRESSAVG: 1846400 40.5287 -66.7543 -39.8035 -64.1242 -18.7305 -74.0709 -40.928 -77.4583 -30.1439 TIMING: 1846400 CPU: 5493.41, 0.00295977/step Wall: 5493.41, 0.00295977/step, 2.59276 hours remaining, 206.710938 MB of memory in use. ENERGY: 1846400 727.7776 2125.8390 1927.3405 128.1702 -205617.8383 17294.3944 0.0000 0.0000 34265.3234 -149148.9933 299.2476 -183414.3167 -149058.4814 299.8481 -308.9401 -278.4968 558973.7874 -3.0242 -2.7819 PRESSURE: 1846600 -28.7967 -155.91 -107.567 -155.91 -44.3466 35.375 -107.568 35.3757 98.2211 GPRESSURE: 1846600 46.829 -156.026 -162.909 -117.456 -16.768 13.2472 -56.5757 32.996 104.577 PRESSAVG: 1846600 46.7615 40.1148 -4.67237 40.1147 4.39794 -56.0999 -4.67227 -56.1001 -71.9426 GPRESSAVG: 1846600 45.7903 39.5204 -5.06008 39.3449 4.61379 -58.3024 -3.6921 -54.6001 -71.0372 TIMING: 1846600 CPU: 5494, 0.00296443/step Wall: 5494, 0.00296443/step, 2.59667 hours remaining, 206.710938 MB of memory in use. ENERGY: 1846600 762.4767 2025.4898 1968.7456 121.6365 -206336.8085 17949.9290 0.0000 0.0000 34210.1321 -149298.3987 298.7656 -183508.5309 -149213.8290 299.3033 8.3593 44.8793 557883.3011 -6.9277 -6.8777 PRESSURE: 1846800 194.084 -175.179 -132.666 -175.179 -13.023 -17.0989 -132.668 -17.101 -42.757 GPRESSURE: 1846800 227.716 -174.017 -193.494 -138.367 51.8935 -143.459 -82.9404 60.5733 -38.7327 PRESSAVG: 1846800 31.9906 -8.79811 4.08887 -8.79813 -2.08368 42.5214 4.08888 42.5214 -50.3017 GPRESSAVG: 1846800 33.0599 -8.4867 4.51358 -9.43851 -3.58016 43.353 3.75462 40.4315 -49.706 TIMING: 1846800 CPU: 5494.6, 0.00296431/step Wall: 5494.6, 0.00296431/step, 2.5964 hours remaining, 206.710938 MB of memory in use. ENERGY: 1846800 772.3562 2044.9305 1993.4485 121.9957 -206298.1450 17797.0930 0.0000 0.0000 34410.5301 -149157.7910 300.5157 -183568.3211 -149061.0442 299.3616 46.1014 80.2921 556748.8773 -6.7982 -6.7421 PRESSURE: 1847000 -196.906 -142.002 19.6656 -142.002 30.9041 30.8673 19.6657 30.8674 -237.162 GPRESSURE: 1847000 -148.365 -20.8763 6.82974 -138.332 8.48057 6.46109 89.4577 66.1931 -179.909 PRESSAVG: 1847000 11.305 -60.2619 7.53337 -60.2619 16.5105 -59.0847 7.53341 -59.0847 -23.1736 GPRESSAVG: 1847000 9.54603 -57.4151 7.61492 -62.2584 18.3446 -60.994 8.96226 -60.2192 -23.4956 TIMING: 1847000 CPU: 5495.19, 0.00296306/step Wall: 5495.19, 0.00296306/step, 2.59515 hours remaining, 206.710938 MB of memory in use. ENERGY: 1847000 754.3102 2077.4099 1957.9163 121.8620 -205828.9786 17454.1122 0.0000 0.0000 34275.5931 -149187.7750 299.3373 -183463.3681 -149092.9085 299.2930 -134.3880 -106.5980 556050.9678 1.5473 1.4650 PRESSURE: 1847200 -210.237 -111.032 164.357 -111.032 -202.055 269.529 164.358 269.527 -280.008 GPRESSURE: 1847200 -206.389 -123.792 129.507 -72.0654 -180.54 178.997 195.083 340.996 -209.903 PRESSAVG: 1847200 -41.8195 -24.7198 23.4496 -24.7199 26.9935 26.9896 23.4497 26.9896 -16.6779 GPRESSAVG: 1847200 -40.3723 -26.2944 22.7945 -20.4725 25.5434 28.3037 23.7793 29.4829 -16.1289 TIMING: 1847200 CPU: 5495.78, 0.00294299/step Wall: 5495.78, 0.00294299/step, 2.5774 hours remaining, 206.710938 MB of memory in use. ENERGY: 1847200 731.1656 2092.1688 1979.8838 105.9827 -206098.9748 17502.6162 0.0000 0.0000 34421.9045 -149265.2532 300.6151 -183687.1577 -149167.1561 299.5574 -230.7665 -198.9439 558740.8515 -10.5013 -10.3192 PRESSURE: 1847400 -136.25 176.82 25.6126 176.821 244.429 20.0768 25.6125 20.0761 -30.0314 GPRESSURE: 1847400 -104.054 137.054 32.6947 177.49 269.224 30.5495 -6.46121 27.1345 6.68195 PRESSAVG: 1847400 6.74994 7.46311 34.8872 7.46313 15.5515 17.0629 34.8873 17.0629 -26.3037 GPRESSAVG: 1847400 5.94701 7.77762 34.6058 5.7637 16.8724 16.6392 34.2597 16.6359 -27.1363 TIMING: 1847400 CPU: 5496.37, 0.00294431/step Wall: 5496.37, 0.00294431/step, 2.5784 hours remaining, 206.710938 MB of memory in use. ENERGY: 1847400 729.3238 2086.3360 1974.7090 121.6755 -206478.3612 17893.8891 0.0000 0.0000 34394.9117 -149277.5160 300.3793 -183672.4277 -149179.0132 299.8411 26.0492 57.2842 555660.0568 -1.3341 -1.4390 PRESSURE: 1847600 78.8069 -87.699 90.3337 -87.6995 -73.3846 -1.79832 90.3348 -1.7986 271.339 GPRESSURE: 1847600 127.763 -17.2895 125.283 -183.745 -44.7595 -27.0266 28.6302 -7.16548 290.572 PRESSAVG: 1847600 47.6181 -12.1571 -7.44484 -12.157 -28.2596 30.7454 -7.44481 30.7455 41.7025 GPRESSAVG: 1847600 47.0464 -12.556 -8.94487 -12.2811 -27.0359 31.7109 -7.36733 30.4772 40.9784 TIMING: 1847600 CPU: 5496.96, 0.00296956/step Wall: 5496.96, 0.00296956/step, 2.60034 hours remaining, 206.710938 MB of memory in use. ENERGY: 1847600 730.7159 2087.9969 1957.7347 122.6198 -206088.8873 17912.8914 0.0000 0.0000 34025.5914 -149251.3371 297.1540 -183276.9285 -149150.4326 299.0641 92.2537 124.5249 556324.1778 20.3537 20.3296 PRESSURE: 1847800 -75.616 -148.051 -178.552 -148.051 252.286 19.7784 -178.553 19.7773 -73.4905 GPRESSURE: 1847800 -25.1377 -123.948 -109.177 -188.137 242.153 90.7405 -147.728 -72.3105 -33.0259 PRESSAVG: 1847800 -26.2279 12.905 -0.817592 12.905 26.1052 3.30092 -0.817726 3.30082 -32.9311 GPRESSAVG: 1847800 -25.8107 12.8558 1.94617 13.3558 23.7927 2.1876 -1.44613 5.65505 -31.0197 TIMING: 1847800 CPU: 5497.55, 0.00296081/step Wall: 5497.55, 0.00296081/step, 2.59252 hours remaining, 206.710938 MB of memory in use. ENERGY: 1847800 757.1790 2067.5569 1967.3232 109.9902 -205975.6106 17543.4978 0.0000 0.0000 34241.5585 -149288.5050 299.0400 -183530.0635 -149187.9523 298.4233 34.3931 61.3299 556431.5796 -11.0179 -11.0126 PRESSURE: 1848000 -156.337 -24.1655 130.473 -24.166 241.773 106.4 130.473 106.399 120.738 GPRESSURE: 1848000 -133.15 -67.087 95.0253 -71.328 286.105 29.3136 96.9962 165.272 164.461 PRESSAVG: 1848000 -2.44473 26.4933 30.5142 26.4933 9.90443 19.1196 30.5142 19.1195 29.5322 GPRESSAVG: 1848000 -1.82473 26.2469 28.687 28.2109 8.63504 18.0658 30.4036 15.9251 30.3701 TIMING: 1848000 CPU: 5498.14, 0.00294563/step Wall: 5498.14, 0.00294563/step, 2.57906 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: 1848000 757.6826 2058.9862 1955.4408 111.5969 -206343.1904 18021.1072 0.0000 0.0000 34229.3142 -149209.0625 298.9331 -183438.3767 -149112.6114 299.1082 68.7245 105.8054 556984.6976 12.3306 12.3935 PRESSURE: 1848200 -45.9215 -250.865 42.7354 -250.865 -9.76411 -23.509 42.7336 -23.5091 -220.393 GPRESSURE: 1848200 -49.2918 -192.355 -19.4104 -324.313 43.9253 139.67 34.7292 -107.655 -189.956 PRESSAVG: 1848200 4.8354 36.7319 -4.76307 36.732 -32.9073 32.0003 -4.76308 32.0003 -5.16101 GPRESSAVG: 1848200 4.67478 38.472 -4.97456 34.6857 -31.7625 34.068 -5.10466 33.5651 -6.58599 TIMING: 1848200 CPU: 5498.74, 0.00297118/step Wall: 5498.74, 0.00297118/step, 2.60127 hours remaining, 206.710938 MB of memory in use. ENERGY: 1848200 735.6653 2060.7197 1925.0896 122.3475 -206026.5282 17721.3989 0.0000 0.0000 34164.7030 -149296.6041 298.3688 -183461.3071 -149210.0934 298.7675 -92.0263 -65.1075 558246.9784 -11.0776 -11.2246 LDB: ============= START OF LOAD BALANCING ============== 5502.16 LDB: ============== END OF LOAD BALANCING =============== 5502.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5502.17 LDB: ============= START OF LOAD BALANCING ============== 5502.47 LDB: Largest compute 4847 load 0.021175 is 17.9% of average load 0.118050 LDB: Average compute 0.001733 is 1.5% of average load 0.118050 LDB: TIME 5502.47 LOAD: AVG 0.11805 MAX 0.202119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.742 MB LDB: TIME 5502.47 LOAD: AVG 0.11805 MAX 0.202119 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.746 MB LDB: TIME 5502.47 LOAD: AVG 0.11805 MAX 0.202119 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.746 MB LDB: ============== END OF LOAD BALANCING =============== 5502.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5502.48 PRESSURE: 1848400 -34.4376 -125.291 49.2127 -125.293 94.5506 44.4539 49.2128 44.4536 -30.7472 GPRESSURE: 1848400 -17.1418 -121.094 106.959 -192.695 115.85 57.9063 139.92 10.5925 28.4837 PRESSAVG: 1848400 -39.1317 42.9912 -1.64492 42.9912 12.7651 -28.0917 -1.64501 -28.0918 -19.5096 GPRESSAVG: 1848400 -39.7135 42.4149 -1.42878 43.2528 12.897 -28.4282 -1.2289 -30.2843 -18.9326 TIMING: 1848400 CPU: 5499.35, 0.00306883/step Wall: 5499.35, 0.00306883/step, 2.68659 hours remaining, 206.644531 MB of memory in use. ENERGY: 1848400 725.0334 2051.7483 1945.8399 116.1120 -206015.5064 17646.0137 0.0000 0.0000 34290.3884 -149240.3708 299.4665 -183530.7592 -149142.8431 298.4067 9.7886 42.3973 557192.3865 -15.2921 -15.2497 PRESSURE: 1848600 -8.82941 79.0931 -130.161 79.0936 -143.725 -54.4594 -130.162 -54.4592 87.2613 GPRESSURE: 1848600 28.9565 34.9998 -143.669 -2.59942 -154.151 30.2303 -36.7111 -123.267 151.038 PRESSAVG: 1848600 34.7229 -31.539 -22.8168 -31.5391 -54.5556 -32.5285 -22.8167 -32.5284 22.6053 GPRESSAVG: 1848600 35.9033 -32.5897 -21.6375 -29.5875 -55.5861 -31.9998 -22.3885 -32.3578 22.568 TIMING: 1848600 CPU: 5499.95, 0.00300695/step Wall: 5499.95, 0.00300695/step, 2.63225 hours remaining, 206.644531 MB of memory in use. ENERGY: 1848600 759.2160 2029.9535 1944.4187 110.8240 -206067.8966 17828.5565 0.0000 0.0000 34132.1298 -149262.7981 298.0844 -183394.9279 -149162.4946 298.2525 -21.7644 8.6143 557687.7433 0.9242 0.9617 PRESSURE: 1848800 -45.0374 -73.5561 -76.9357 -73.5571 32.1457 -61.0935 -76.9366 -61.0928 69.2737 GPRESSURE: 1848800 -22.5597 -16.053 -113.658 -71.5308 50.1887 -66.2411 -38.6404 -21.1936 139.445 PRESSAVG: 1848800 40.6486 -37.3253 -8.10319 -37.3252 -20.0019 -38.4041 -8.10316 -38.4041 14.3242 GPRESSAVG: 1848800 40.7322 -37.0886 -7.63122 -38.8633 -19.8799 -38.8146 -8.73847 -37.6368 14.2419 TIMING: 1848800 CPU: 5500.55, 0.00298485/step Wall: 5500.55, 0.00298485/step, 2.61274 hours remaining, 206.644531 MB of memory in use. ENERGY: 1848800 716.9490 2066.5217 1959.4867 118.3061 -206393.2271 18007.8358 0.0000 0.0000 34237.8159 -149286.3119 299.0074 -183524.1278 -149194.6692 299.4634 18.7940 55.6913 557890.4153 11.6570 11.6981 PRESSURE: 1849000 -119.585 43.6492 54.8129 43.6495 -121.75 -130.846 54.8133 -130.843 -277.033 GPRESSURE: 1849000 -99.362 55.6261 -16.5809 106.321 -70.3572 -138.978 76.2829 -219.107 -263.341 PRESSAVG: 1849000 42.896 -21.1184 -13.7446 -21.1184 -11.4106 -49.481 -13.7445 -49.4809 11.7399 GPRESSAVG: 1849000 43.0262 -19.678 -14.8915 -21.6096 -11.0829 -49.4663 -12.8338 -49.6619 11.4623 TIMING: 1849000 CPU: 5501.15, 0.00300975/step Wall: 5501.15, 0.00300975/step, 2.63436 hours remaining, 206.644531 MB of memory in use. ENERGY: 1849000 736.5987 2054.6184 1940.2921 112.9967 -206286.3434 17735.9454 0.0000 0.0000 34467.2418 -149238.6504 301.0110 -183705.8922 -149129.9778 300.0844 -172.7893 -144.3535 559352.9314 14.4084 14.4686 PRESSURE: 1849200 -188.833 -87.2054 -37.2638 -87.2044 -80.7884 -97.4968 -37.2664 -97.4985 -13.3643 GPRESSURE: 1849200 -156.943 -84.2361 -89.6481 -145.307 -23.3277 -55.2669 -19.058 -81.9865 -2.65814 PRESSAVG: 1849200 3.33186 -70.5886 0.58943 -70.5886 0.951491 -60.343 0.589394 -60.343 -10.9804 GPRESSAVG: 1849200 4.35311 -72.1982 0.0656981 -69.3852 -0.366066 -60.5218 2.08461 -59.7796 -10.4401 TIMING: 1849200 CPU: 5501.75, 0.00301077/step Wall: 5501.75, 0.00301077/step, 2.63509 hours remaining, 206.644531 MB of memory in use. ENERGY: 1849200 784.0016 2060.3526 1932.8751 102.1637 -206063.4804 17790.1383 0.0000 0.0000 34153.4998 -149240.4493 298.2710 -183393.9492 -149143.2976 299.8243 -94.3287 -60.9763 558420.7528 -2.2324 -2.1510 PRESSURE: 1849400 32.5582 -41.249 -26.3326 -41.2476 55.6894 -30.5336 -26.3324 -30.5333 -17.9366 GPRESSURE: 1849400 96.5505 -10.0256 -20.285 80.4815 85.4327 -116.466 34.9662 31.6467 -16.757 PRESSAVG: 1849400 59.0335 -8.58381 14.0425 -8.58381 -38.9458 -1.27353 14.0425 -1.27367 20.1448 GPRESSAVG: 1849400 58.1861 -9.80318 17.0884 -7.39423 -37.7632 -1.06892 12.1263 0.238627 19.7975 TIMING: 1849400 CPU: 5502.35, 0.00300405/step Wall: 5502.35, 0.00300405/step, 2.62904 hours remaining, 206.644531 MB of memory in use. ENERGY: 1849400 736.5370 2065.8159 1957.9132 111.2800 -206161.5409 17873.0459 0.0000 0.0000 34102.1311 -149314.8178 297.8224 -183416.9489 -149225.8647 299.0974 23.4370 55.0754 557940.9242 13.4108 13.4068 PRESSURE: 1849600 236.182 172.085 100.096 172.085 106.102 -39.5903 100.097 -39.5913 123.857 GPRESSURE: 1849600 276.131 223.345 51.0433 188.58 183.128 -87.1538 93.9359 -61.0467 100.942 PRESSAVG: 1849600 -16.9917 14.4005 -25.5001 14.4004 -77.9338 -3.46936 -25.5002 -3.46945 75.7145 GPRESSAVG: 1849600 -17.5493 14.7452 -27.5636 13.6432 -77.4552 -4.25037 -26.3154 -4.74447 75.8163 TIMING: 1849600 CPU: 5502.96, 0.00301947/step Wall: 5502.96, 0.00301947/step, 2.64237 hours remaining, 206.644531 MB of memory in use. ENERGY: 1849600 744.1468 2034.6897 1968.3908 109.8844 -206643.2826 18079.9666 0.0000 0.0000 34263.1943 -149443.0101 299.2290 -183706.2043 -149350.1069 298.7379 155.3803 186.7337 556437.7246 -6.4037 -6.3961 PRESSURE: 1849800 470.031 -124.56 -53.6223 -124.56 54.506 -43.3375 -53.622 -43.3378 195.624 GPRESSURE: 1849800 501.627 -44.0401 -65.6634 -174.058 51.6951 -40.5427 -13.1253 -45.3075 264.125 PRESSAVG: 1849800 5.79062 5.77121 -23.1574 5.77121 -7.46282 -50.19 -23.1574 -50.1901 36.6462 GPRESSAVG: 1849800 6.12993 6.97123 -22.1243 5.14134 -7.35495 -51.7622 -24.9232 -50.9363 36.8947 TIMING: 1849800 CPU: 5503.55, 0.00298767/step Wall: 5503.55, 0.00298767/step, 2.61438 hours remaining, 206.644531 MB of memory in use. ENERGY: 1849800 728.2334 2063.9384 1929.4817 112.5797 -206888.0466 18262.1616 0.0000 0.0000 34277.2693 -149514.3825 299.3519 -183791.6518 -149411.3342 298.6877 240.0537 272.4824 556413.0242 11.6580 11.8899 PRESSURE: 1850000 402.051 158.413 -57.4228 158.413 -224.033 -111.806 -57.424 -111.805 141.856 GPRESSURE: 1850000 370.126 172.383 -58.7051 154.15 -123.835 -63.4121 -96.7481 -62.6241 171.578 PRESSAVG: 1850000 13.1369 -38.3513 -23.0595 -38.3514 -27.799 23.5316 -23.0596 23.5316 -33.3519 GPRESSAVG: 1850000 11.866 -37.29 -25.8723 -38.5509 -27.9443 26.5819 -19.5939 22.3724 -32.2379 TIMING: 1850000 CPU: 5504.16, 0.00300747/step Wall: 5504.16, 0.00300747/step, 2.63154 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: 1850000 726.7035 2026.3831 1941.3865 107.2366 -206533.3798 17880.9354 0.0000 0.0000 34207.9370 -149642.7978 298.7464 -183850.7348 -149548.0591 298.8234 106.6247 139.2900 556060.0852 -16.0047 -16.1054 PRESSURE: 1850200 96.1187 37.3471 71.6546 37.346 152.56 25.7678 71.6544 25.7682 198.041 GPRESSURE: 1850200 119.194 -12.8074 130.705 50.6091 181.427 51.5726 17.2916 1.58544 239.265 PRESSAVG: 1850200 49.7352 20.8425 -3.26339 20.8425 -36.9527 103.847 -3.26341 103.847 2.08343 GPRESSAVG: 1850200 51.2745 19.4334 -1.79838 21.3367 -38.1481 102.979 -6.15776 104.728 1.42457 TIMING: 1850200 CPU: 5504.75, 0.00298934/step Wall: 5504.75, 0.00298934/step, 2.6155 hours remaining, 206.933594 MB of memory in use. ENERGY: 1850200 736.2919 2061.4846 1942.8483 112.4985 -206626.8418 17994.9915 0.0000 0.0000 34283.9699 -149494.7571 299.4104 -183778.7270 -149409.8906 298.0834 148.9065 179.9619 555770.4267 4.9553 4.8503 PRESSURE: 1850400 64.2691 -149.267 -79.3646 -149.267 -37.9463 99.6378 -79.3653 99.6365 -85.8841 GPRESSURE: 1850400 62.0619 -145.163 -25.3608 -184.781 -14.3338 94.1096 -43.8184 97.8925 -14.5686 PRESSAVG: 1850400 5.56145 -52.952 -0.757486 -52.952 -33.086 -14.9397 -0.757662 -14.9396 128.731 GPRESSAVG: 1850400 6.17728 -54.7549 -0.682158 -52.3097 -33.8872 -15.04 -1.14221 -16.2297 128.805 TIMING: 1850400 CPU: 5505.36, 0.00300927/step Wall: 5505.36, 0.00300927/step, 2.63278 hours remaining, 206.933594 MB of memory in use. ENERGY: 1850400 734.7226 2167.4290 1956.3473 119.3599 -206483.2848 17932.6555 0.0000 0.0000 34205.8588 -149366.9119 298.7283 -183572.7707 -149275.4161 298.7965 -19.8538 11.0532 556680.9564 33.7354 33.6984 PRESSURE: 1850600 266.897 -10.538 58.216 -10.5392 140.713 76.1646 58.2145 76.1655 271.037 GPRESSURE: 1850600 299.588 27.426 48.6992 3.64055 198.337 149.909 74.4278 26.7484 267.144 PRESSAVG: 1850600 60.5294 8.52874 -0.447839 8.52863 -13.945 31.6337 -0.44783 31.6337 -31.5477 GPRESSAVG: 1850600 59.5054 10.5082 -1.4188 7.47022 -13.7538 32.8545 2.71253 31.1369 -30.7069 TIMING: 1850600 CPU: 5505.95, 0.00298877/step Wall: 5505.95, 0.00298877/step, 2.61467 hours remaining, 206.933594 MB of memory in use. ENERGY: 1850600 749.6388 2061.9169 1926.9430 117.4096 -206664.6748 18192.0558 0.0000 0.0000 34192.8456 -149423.8651 298.6146 -183616.7107 -149316.4143 299.0725 226.2158 255.0231 557026.8409 5.0122 5.0149 PRESSURE: 1850800 -94.7374 16.7147 -51.3344 16.7144 -259.866 116.758 -51.3344 116.758 102.198 GPRESSURE: 1850800 -133.879 31.2204 -19.1121 20.7353 -192.59 56.8103 6.75419 72.9184 167.196 PRESSAVG: 1850800 -4.84089 -20.0342 69.3159 -20.0341 35.3302 31.057 69.3159 31.057 -34.6151 GPRESSAVG: 1850800 -3.64897 -20.4286 70.0353 -20.5237 36.2353 31.5404 67.4281 32.8909 -36.7828 TIMING: 1850800 CPU: 5506.55, 0.00296284/step Wall: 5506.55, 0.00296284/step, 2.59183 hours remaining, 207.000000 MB of memory in use. ENERGY: 1850800 780.6284 2057.7020 1958.1289 116.7465 -206457.8462 17767.0982 0.0000 0.0000 34434.7434 -149342.7987 300.7272 -183777.5422 -149245.5560 298.5334 -84.1351 -53.0910 557064.1431 -1.3753 -1.3988 PRESSURE: 1851000 132.679 -37.9859 64.1803 -37.9853 174.247 50.8468 64.1795 50.8478 -96.4022 GPRESSURE: 1851000 127.966 -59.4963 92.7005 -15.0351 216.361 46.8816 116.631 52.8248 -47.1682 PRESSAVG: 1851000 -41.2295 -33.4312 19.7192 -33.4312 -29.9782 53.3892 19.7192 53.3893 -0.629073 GPRESSAVG: 1851000 -42.8816 -34.8519 19.7436 -32.2499 -30.6203 48.9504 21.2742 54.4697 1.79417 TIMING: 1851000 CPU: 5507.14, 0.00296855/step Wall: 5507.14, 0.00296855/step, 2.59666 hours remaining, 207.000000 MB of memory in use. ENERGY: 1851000 734.5081 2063.1102 1951.2910 101.9743 -206338.5212 17855.9131 0.0000 0.0000 34192.3274 -149439.3971 298.6101 -183631.7246 -149341.0107 298.7672 70.1743 99.0530 556353.7735 -23.9456 -23.9026 PRESSURE: 1851200 -190.337 -98.1054 71.4392 -98.1048 -115.319 -81.2046 71.4387 -81.2049 -243.937 GPRESSURE: 1851200 -212.473 -64.1656 136.192 -114.441 -46.8641 -47.6049 -7.09099 -93.939 -194.315 PRESSAVG: 1851200 10.6223 -26.8559 23.1724 -26.856 51.6705 14.3604 23.1725 14.3606 -117.027 GPRESSAVG: 1851200 11.6328 -26.6784 22.7138 -27.9783 51.9574 15.2683 22.3474 13.9014 -117.741 TIMING: 1851200 CPU: 5507.74, 0.00300794/step Wall: 5507.74, 0.00300794/step, 2.63094 hours remaining, 207.000000 MB of memory in use. ENERGY: 1851200 750.3445 2102.5991 1940.2434 107.1066 -205548.5362 17284.5481 0.0000 0.0000 34094.7186 -149268.9758 297.7577 -183363.6944 -149173.9641 298.9674 -183.1976 -151.2175 557209.9618 -18.2446 -18.0503 PRESSURE: 1851400 41.3963 43.0578 -50.4312 43.0583 41.0015 50.7127 -50.4308 50.7136 -424.507 GPRESSURE: 1851400 42.635 87.7222 6.1935 28.4224 40.9258 47.7086 -6.72033 88.5631 -330.33 PRESSAVG: 1851400 10.2634 -37.7146 24.8816 -37.7147 45.0054 27.1105 24.8816 27.1105 -43.1835 GPRESSAVG: 1851400 9.54954 -36.4189 24.3948 -36.9228 46.169 28.7807 25.3193 26.1368 -43.6041 TIMING: 1851400 CPU: 5508.34, 0.00300707/step Wall: 5508.34, 0.00300707/step, 2.63002 hours remaining, 207.000000 MB of memory in use. ENERGY: 1851400 720.0624 2069.8409 1963.2030 106.6347 -205952.6577 17702.2765 0.0000 0.0000 34147.6674 -149242.9729 298.2201 -183390.6403 -149142.7067 299.5490 -114.0365 -82.2565 557710.0869 4.0284 4.0381 PRESSURE: 1851600 -83.1632 -129.966 -130.275 -129.966 -200.43 -45.4863 -130.274 -45.4865 -170.089 GPRESSURE: 1851600 -83.5695 -66.3188 -114.994 -183.245 -155.095 1.3455 -138.734 -48.1557 -130.649 PRESSAVG: 1851600 0.908659 -12.985 2.88675 -12.985 6.20517 -8.37308 2.8867 -8.37321 -16.8348 GPRESSAVG: 1851600 1.1528 -14.0418 5.72379 -11.692 6.09879 -7.73154 1.86702 -6.44863 -16.4461 TIMING: 1851600 CPU: 5508.94, 0.00300364/step Wall: 5508.94, 0.00300364/step, 2.62685 hours remaining, 207.000000 MB of memory in use. ENERGY: 1851600 729.6168 2069.1672 1931.7481 112.3712 -206197.5875 17711.4877 0.0000 0.0000 34301.0629 -149342.1336 299.5597 -183643.1965 -149245.0953 298.8981 -151.2276 -123.1046 557682.9555 -3.2403 -3.0648 PRESSURE: 1851800 -160.693 -7.78694 -86.2194 -7.78565 101.269 104.633 -86.2196 104.634 -59.8147 GPRESSURE: 1851800 -104.137 -12.6927 -96.2128 29.1203 94.5055 85.0487 -151.064 114.389 -24.0595 PRESSAVG: 1851800 -52.2778 3.49216 23.0709 3.49211 23.666 79.8774 23.0709 79.8774 4.98709 GPRESSAVG: 1851800 -51.0547 4.69373 20.5553 1.07883 22.2107 81.2943 22.6804 79.4611 5.20498 TIMING: 1851800 CPU: 5509.54, 0.00299595/step Wall: 5509.54, 0.00299595/step, 2.61995 hours remaining, 207.000000 MB of memory in use. ENERGY: 1851800 712.7485 2099.3797 1907.6934 98.1216 -206123.7219 17774.1744 0.0000 0.0000 34269.1867 -149262.4175 299.2813 -183531.6042 -149174.8348 298.9916 -39.7463 -11.2305 556836.4998 -7.8749 -7.8797 PRESSURE: 1852000 -104.945 -76.276 5.53031 -76.2758 -225.733 -126.689 5.53023 -126.689 -111.371 GPRESSURE: 1852000 -112.61 -101.29 -1.66425 -23.6305 -164.034 -82.575 -5.82496 -108.301 -76.8024 PRESSAVG: 1852000 -61.7596 5.66517 12.4939 5.66523 4.7574 6.4415 12.4939 6.44154 66.2271 GPRESSAVG: 1852000 -62.6735 5.84529 13.3257 6.27673 5.50318 4.12301 13.759 6.97689 66.0798 TIMING: 1852000 CPU: 5510.14, 0.0029768/step Wall: 5510.14, 0.0029768/step, 2.60304 hours remaining, 207.000000 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: 1852000 736.6461 2091.5754 1943.1571 112.3322 -205804.3109 17421.2959 0.0000 0.0000 34181.6311 -149317.6732 298.5167 -183499.3043 -149223.3277 298.6383 -147.3500 -117.8154 557295.7090 3.0750 2.9698 PRESSURE: 1852200 -31.9283 -48.7535 -11.335 -48.7537 -332.688 53.3651 -11.3346 53.3658 -83.4178 GPRESSURE: 1852200 19.9197 -157.418 -51.044 7.29019 -335.351 67.0231 50.7951 21.2277 -48.2621 PRESSAVG: 1852200 25.8803 -22.8533 -42.5964 -22.8533 47.6629 19.0099 -42.5964 19.01 -52.3988 GPRESSAVG: 1852200 25.179 -24.8707 -41.0268 -21.5769 47.6769 18.46 -43.5678 18.9496 -52.3672 TIMING: 1852200 CPU: 5510.74, 0.00299153/step Wall: 5510.74, 0.00299153/step, 2.61576 hours remaining, 207.000000 MB of memory in use. ENERGY: 1852200 755.9491 2088.9667 1928.6887 106.5425 -206250.9521 17827.3482 0.0000 0.0000 34244.1125 -149299.3444 299.0624 -183543.4569 -149199.8266 298.6628 -149.3447 -121.2310 558069.9698 7.0482 6.8295 LDB: ============= START OF LOAD BALANCING ============== 5514.16 LDB: ============== END OF LOAD BALANCING =============== 5514.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5514.16 LDB: ============= START OF LOAD BALANCING ============== 5514.46 LDB: Largest compute 4847 load 0.025204 is 21.4% of average load 0.118046 LDB: Average compute 0.001731 is 1.5% of average load 0.118046 LDB: TIME 5514.47 LOAD: AVG 0.118046 MAX 0.198886 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.414 MB LDB: TIME 5514.47 LOAD: AVG 0.118046 MAX 0.198886 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.414 MB LDB: TIME 5514.47 LOAD: AVG 0.118046 MAX 0.198886 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.414 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5514.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5514.47 PRESSURE: 1852400 -130.172 -26.3876 121.243 -26.3882 -96.3031 -9.15077 121.243 -9.15111 -161.825 GPRESSURE: 1852400 -150.724 -17.5573 95.5531 3.06136 -65.814 -57.1343 20.4401 45.7348 -78.8289 PRESSAVG: 1852400 23.8249 -0.723155 6.90881 -0.723234 46.9588 3.90359 6.90878 3.90365 -58.2593 GPRESSAVG: 1852400 25.4875 0.360066 6.45936 -1.34635 45.746 3.41016 7.63238 4.11666 -58.7251 TIMING: 1852400 CPU: 5511.34, 0.00303321/step Wall: 5511.34, 0.00303321/step, 2.65204 hours remaining, 204.718750 MB of memory in use. ENERGY: 1852400 743.5315 2062.2376 1923.5710 103.6912 -205453.8049 17489.6440 0.0000 0.0000 33923.8883 -149207.2414 296.2658 -183131.1297 -149105.1295 298.7681 -129.4335 -98.4557 558473.2229 4.1748 4.1694 PRESSURE: 1852600 -181.867 -32.2765 -33.3739 -32.2763 -66.8324 31.3959 -33.3734 31.3958 91.4462 GPRESSURE: 1852600 -102.848 -85.1166 75.1212 70.2554 -41.8666 15.7529 -86.1894 -22.1183 97.8045 PRESSAVG: 1852600 84.2559 -21.1487 25.2527 -21.1487 -76.8042 29.0002 25.2528 29.0002 11.504 GPRESSAVG: 1852600 83.2975 -20.8975 22.9257 -20.8574 -75.2109 30.6556 26.9396 25.9508 11.7566 TIMING: 1852600 CPU: 5511.94, 0.00299253/step Wall: 5511.94, 0.00299253/step, 2.6163 hours remaining, 204.718750 MB of memory in use. ENERGY: 1852600 759.7454 2079.8729 1923.3022 111.6134 -206215.5963 17921.6614 0.0000 0.0000 34232.6934 -149186.7077 298.9626 -183419.4011 -149094.1126 298.7228 -52.4179 -15.6366 559150.7091 6.3186 6.6144 PRESSURE: 1852800 42.625 -64.0449 -144.272 -64.043 153.955 -25.3972 -144.272 -25.3958 -86.577 GPRESSURE: 1852800 98.4785 -112.462 -129.895 -54.7503 157.603 -95.2754 -129.225 -23.4857 -58.4472 PRESSAVG: 1852800 -30.3122 26.622 -30.7657 26.6221 3.26445 -15.381 -30.7657 -15.3809 -31.7015 GPRESSAVG: 1852800 -30.0819 26.4859 -32.0843 25.6383 1.83386 -16.2143 -30.1261 -14.1308 -30.9932 TIMING: 1852800 CPU: 5512.53, 0.00294806/step Wall: 5512.53, 0.00294806/step, 2.57726 hours remaining, 204.718750 MB of memory in use. ENERGY: 1852800 709.0394 2113.0847 1936.3685 110.5085 -205952.6780 17832.9415 0.0000 0.0000 34248.9445 -149001.7910 299.1046 -183250.7355 -148909.7366 298.4302 36.6676 65.8781 558801.4416 -19.5831 -19.7471 PRESSURE: 1853000 -71.0372 12.4685 -21.2997 12.4675 45.5606 -0.575361 -21.2995 -0.57316 126.426 GPRESSURE: 1853000 -69.5609 50.7523 3.52784 19.9063 81.8246 5.61414 94.542 11.7492 185.23 PRESSAVG: 1853000 -40.4631 21.1606 13.108 21.1606 34.8322 -31.2871 13.108 -31.287 19.0727 GPRESSAVG: 1853000 -41.734 21.7097 13.5413 20.4199 35.1879 -32.1049 15.4663 -31.3006 19.3179 TIMING: 1853000 CPU: 5513.12, 0.00293845/step Wall: 5513.12, 0.00293845/step, 2.56869 hours remaining, 204.718750 MB of memory in use. ENERGY: 1853000 732.7752 2023.4678 1936.0301 111.8347 -206036.3585 17768.6943 0.0000 0.0000 34251.3286 -149212.2278 299.1254 -183463.5564 -149105.6641 299.1131 33.6497 65.8311 556909.6294 4.4806 4.2573 PRESSURE: 1853200 11.1618 69.3963 7.34222 69.3962 76.3444 -91.0659 7.34195 -91.0655 220.109 GPRESSURE: 1853200 55.5395 37.6167 26.7005 85.2704 60.9428 -116.688 24.9076 -123.794 275.104 PRESSAVG: 1853200 44.9906 20.8426 37.9422 20.8425 -24.6217 -39.9425 37.9422 -39.9425 -13.798 GPRESSAVG: 1853200 45.3565 21.3139 40.3607 19.4006 -23.7698 -38.5522 33.2423 -39.3572 -14.6773 TIMING: 1853200 CPU: 5513.71, 0.00295098/step Wall: 5513.71, 0.00295098/step, 2.57949 hours remaining, 204.718750 MB of memory in use. ENERGY: 1853200 707.8880 1990.9999 1944.8648 126.3448 -205858.6995 17710.3221 0.0000 0.0000 34135.3368 -149242.9431 298.1124 -183378.2799 -149151.5959 298.2620 102.5383 130.5287 557538.2204 2.1903 2.3031 PRESSURE: 1853400 -6.1947 138.986 67.2312 138.986 -219.316 6.34922 67.2323 6.34964 -28.5685 GPRESSURE: 1853400 11.8768 118.819 6.86555 110.602 -182.555 65.0266 124.774 -35.1021 13.1443 PRESSAVG: 1853400 -19.3718 -24.5989 68.38 -24.5989 -35.6579 3.19687 68.38 3.19681 -10.0374 GPRESSAVG: 1853400 -19.4581 -24.1808 68.8277 -22.9296 -35.7535 2.13448 70.296 2.45901 -9.31453 TIMING: 1853400 CPU: 5514.3, 0.00296006/step Wall: 5514.3, 0.00296006/step, 2.58726 hours remaining, 204.718750 MB of memory in use. ENERGY: 1853400 732.1440 2057.7797 1933.2871 119.9708 -206055.5172 17789.2874 0.0000 0.0000 34076.3623 -149346.6859 297.5973 -183423.0482 -149247.5108 298.8240 -84.6932 -52.5113 558579.7166 -21.6890 -21.5087 PRESSURE: 1853600 192.265 5.01823 9.957 5.01801 -267.544 -15.1052 9.95595 -15.105 17.1703 GPRESSURE: 1853600 239.184 -17.7359 96.7922 -41.8071 -204.179 -15.6814 -37.0367 54.2761 22.4415 PRESSAVG: 1853600 39.8072 -9.64721 12.8804 -9.64716 -35.8364 0.949517 12.8804 0.949382 -2.33786 GPRESSAVG: 1853600 40.791 -9.67374 11.4278 -9.32465 -34.8694 2.75303 12.1549 2.98182 -4.37325 TIMING: 1853600 CPU: 5514.89, 0.00295122/step Wall: 5514.89, 0.00295122/step, 2.57936 hours remaining, 204.718750 MB of memory in use. ENERGY: 1853600 727.3337 2125.2292 1932.9207 107.3586 -206456.3619 17864.9524 0.0000 0.0000 34279.7242 -149418.8431 299.3734 -183698.5673 -149319.6606 298.1608 -19.3698 19.1489 558675.5876 0.5443 0.5161 PRESSURE: 1853800 150.865 50.6942 84.2988 50.6952 -0.24368 206.566 84.2999 206.567 149.822 GPRESSURE: 1853800 195.751 83.8207 21.6028 109.752 8.7466 176.956 123.643 244.428 195.655 PRESSAVG: 1853800 45.6712 9.30473 29.4499 9.30466 -72.4282 -5.46142 29.4498 -5.4615 9.6383 GPRESSAVG: 1853800 45.2926 8.01694 30.9825 11.1838 -72.4777 -7.09889 29.3176 -6.22607 10.832 TIMING: 1853800 CPU: 5515.48, 0.0029385/step Wall: 5515.48, 0.0029385/step, 2.56809 hours remaining, 204.718750 MB of memory in use. ENERGY: 1853800 735.9861 2075.7114 1960.4875 132.0543 -206411.5095 17858.8759 0.0000 0.0000 34158.6857 -149489.7087 298.3163 -183648.3944 -149391.3741 299.0581 100.1480 133.3842 556188.3253 -5.7063 -5.4510 PRESSURE: 1854000 -65.476 48.7201 -107.09 48.7204 181.562 83.3849 -107.089 83.384 -131.875 GPRESSURE: 1854000 41.6456 90.5337 -138.146 18.9131 139.841 19.7695 -110.924 87.5192 -102.187 PRESSAVG: 1854000 -41.4412 14.3901 -58.5621 14.3901 -9.26147 22.7306 -58.5622 22.7305 13.451 GPRESSAVG: 1854000 -41.7623 17.1008 -58.5687 11.3716 -9.28622 22.117 -58.3667 24.2859 13.8821 TIMING: 1854000 CPU: 5516.07, 0.00297856/step Wall: 5516.07, 0.00297856/step, 2.60293 hours remaining, 204.718750 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: 1854000 751.4930 2154.2540 1933.7411 121.4037 -206674.7764 17903.3854 0.0000 0.0000 34420.4474 -149390.0517 300.6023 -183810.4992 -149294.4074 298.7666 -5.2628 26.4334 556614.6193 -12.4172 -12.3888 PRESSURE: 1854200 3.88013 -187.195 46.6484 -187.194 -60.5314 0.343102 46.6474 0.343479 42.4159 GPRESSURE: 1854200 20.6758 -144.424 15.6468 -272.864 34.6463 -33.7189 103.686 70.3848 19.2268 PRESSAVG: 1854200 -37.5931 -36.5692 -10.0241 -36.5693 25.2613 26.5397 -10.0242 26.5399 60.5015 GPRESSAVG: 1854200 -37.0639 -36.8396 -9.7466 -35.111 24.556 28.743 -8.55064 25.1468 60.892 TIMING: 1854200 CPU: 5516.67, 0.00298427/step Wall: 5516.67, 0.00298427/step, 2.60776 hours remaining, 204.718750 MB of memory in use. ENERGY: 1854200 744.1412 2127.8350 1923.1018 116.4576 -206289.4925 17856.9503 0.0000 0.0000 34178.6468 -149342.3600 298.4906 -183521.0067 -149245.4998 299.5359 -4.7451 24.8496 557280.1434 16.0565 16.1280 PRESSURE: 1854400 -5.56907 18.3884 -85.7528 18.3882 59.6292 -168.702 -85.7513 -168.7 -79.6763 GPRESSURE: 1854400 63.3713 73.6282 -30.9593 31.1412 37.2492 -164.514 -125.542 -90.3636 -34.8209 PRESSAVG: 1854400 -12.8469 9.79562 -55.123 9.79561 -12.8057 -5.25922 -55.1229 -5.25927 28.059 GPRESSAVG: 1854400 -11.8321 8.56946 -55.0327 9.62741 -13.3655 -4.6256 -54.133 -5.8138 27.822 TIMING: 1854400 CPU: 5517.26, 0.00296725/step Wall: 5517.26, 0.00296725/step, 2.59272 hours remaining, 204.718750 MB of memory in use. ENERGY: 1854400 735.6293 2119.0627 1951.9349 118.7653 -206777.5702 18018.7816 0.0000 0.0000 34389.0934 -149444.3029 300.3285 -183833.3963 -149349.5096 299.1943 -8.5387 21.9332 557759.5403 0.8021 0.8748 PRESSURE: 1854600 -156.053 -130.646 18.775 -130.647 -168.809 -78.6778 18.7751 -78.675 71.5667 GPRESSURE: 1854600 -125.897 -163.441 49.7718 -49.5861 -90.8378 -23.7741 11.965 -68.1498 55.6949 PRESSAVG: 1854600 36.8781 -25.1042 15.2228 -25.1043 -77.1181 38.4871 15.2229 38.487 46.6239 GPRESSAVG: 1854600 36.2445 -27.378 14.4048 -25.5357 -76.4927 35.9507 14.4881 41.3853 46.4445 TIMING: 1854600 CPU: 5517.85, 0.00295132/step Wall: 5517.85, 0.00295132/step, 2.57863 hours remaining, 204.718750 MB of memory in use. ENERGY: 1854600 770.3710 2093.1780 1970.3438 108.8344 -206230.3493 17725.3360 0.0000 0.0000 34442.0211 -149120.2649 300.7907 -183562.2860 -149023.1646 299.4929 -84.4319 -53.6801 557841.3334 2.1280 2.0654 PRESSURE: 1854800 -160.955 -13.6187 -9.88718 -13.6177 -174.729 -56.039 -9.88795 -56.0399 -405.225 GPRESSURE: 1854800 -108.294 37.5247 16.1501 -124.991 -178.924 20.7094 -6.10348 -121.11 -354.126 PRESSAVG: 1854800 -6.37938 -58.4005 74.8003 -58.4004 1.86683 -56.5258 74.8003 -56.5258 10.6216 GPRESSAVG: 1854800 -6.3253 -56.5603 74.4588 -57.2999 2.50918 -55.0117 74.4323 -60.2521 10.5974 TIMING: 1854800 CPU: 5518.45, 0.00297682/step Wall: 5518.45, 0.00297682/step, 2.60075 hours remaining, 204.718750 MB of memory in use. ENERGY: 1854800 792.7058 2064.0537 1946.3646 110.6118 -205975.5741 17675.7861 0.0000 0.0000 34238.5751 -149147.4770 299.0140 -183386.0521 -149042.7231 299.9420 -246.9697 -213.7813 559435.2299 2.0364 2.2604 PRESSURE: 1855000 -17.9155 -40.2273 82.9521 -40.2265 -75.2875 44.1374 82.9534 44.1372 281.901 GPRESSURE: 1855000 -9.73859 -69.5244 106.675 -64.4329 3.87031 1.84116 20.3094 55.7452 295.276 PRESSAVG: 1855000 -7.90143 9.80228 38.6713 9.80208 18.2815 36.1907 38.6713 36.1907 -11.6552 GPRESSAVG: 1855000 -6.80216 8.0684 40.9571 9.57736 17.2578 35.7381 37.9088 39.214 -12.6267 TIMING: 1855000 CPU: 5519.04, 0.00295586/step Wall: 5519.04, 0.00295586/step, 2.58227 hours remaining, 204.718750 MB of memory in use. ENERGY: 1855000 734.9474 2127.6928 1928.7446 93.1543 -206037.4443 17727.9035 0.0000 0.0000 34138.1391 -149286.8626 298.1369 -183425.0017 -149191.8448 299.1209 62.8993 96.4694 557135.1461 -0.4250 -0.7237 PRESSURE: 1855200 -257.075 14.0055 -61.8223 14.0055 -319.035 -31.6292 -61.8214 -31.6287 -80.33 GPRESSURE: 1855200 -164.667 3.55339 -14.6522 27.4639 -299.615 -24.1458 -44.423 -112.288 -93.2448 PRESSAVG: 1855200 -45.4253 -6.05882 13.1349 -6.05882 11.6723 -55.6954 13.1348 -55.6954 27.3446 GPRESSAVG: 1855200 -46.2375 -4.36249 11.8862 -4.97774 11.1491 -56.5477 14.1772 -55.6577 28.7225 TIMING: 1855200 CPU: 5519.64, 0.00298623/step Wall: 5519.64, 0.00298623/step, 2.60863 hours remaining, 204.718750 MB of memory in use. ENERGY: 1855200 752.0198 2026.3484 1939.5085 122.9708 -205779.0994 17488.1586 0.0000 0.0000 34325.6694 -149124.4239 299.7746 -183450.0933 -149017.3949 299.7235 -218.8136 -185.8424 557430.8839 -2.1361 -2.1220 PRESSURE: 1855400 -26.191 131.966 75.4486 131.966 -68.1393 261.393 75.4482 261.394 -156.784 GPRESSURE: 1855400 7.21568 136.986 83.2981 90.2926 -10.8512 237.986 69.9247 212.651 -155.757 PRESSAVG: 1855400 50.0562 -51.9007 -24.3139 -51.9006 -37.8872 4.50838 -24.3138 4.50848 -32.1416 GPRESSAVG: 1855400 49.2716 -52.3513 -22.9883 -52.7003 -36.4561 2.0835 -25.5888 3.98167 -33.1172 TIMING: 1855400 CPU: 5520.23, 0.00293934/step Wall: 5520.23, 0.00293934/step, 2.56752 hours remaining, 204.718750 MB of memory in use. ENERGY: 1855400 758.6090 2082.3254 1908.7310 114.0948 -205911.2008 17673.9977 0.0000 0.0000 34195.5523 -149177.8905 298.6383 -183373.4429 -149083.5450 299.5043 -83.7047 -53.1307 557800.9498 -6.6575 -6.7672 PRESSURE: 1855600 -91.2876 -35.362 -38.5224 -35.3613 -214.802 147.028 -38.5216 147.028 84.1908 GPRESSURE: 1855600 -30.1575 -132.19 -86.2321 -43.0452 -199.147 69.1691 -0.0266391 169.514 118.064 PRESSAVG: 1855600 30.1874 29.5688 0.68478 29.5688 7.62105 29.9184 0.684677 29.9182 -18.4867 GPRESSAVG: 1855600 29.7119 30.1952 -0.510453 29.461 7.02761 31.1204 0.771025 31.5013 -17.5884 TIMING: 1855600 CPU: 5520.81, 0.00292654/step Wall: 5520.81, 0.00292654/step, 2.55617 hours remaining, 204.718750 MB of memory in use. ENERGY: 1855600 743.3176 2056.7749 1907.5632 112.7537 -206135.9513 17857.6856 0.0000 0.0000 34419.3733 -149038.4830 300.5929 -183457.8563 -148946.0923 299.1147 -73.9662 -37.0802 559595.7657 6.4406 6.3837 PRESSURE: 1855800 197.968 -39.8746 -183.924 -39.8723 -12.7599 60.6731 -183.925 60.6724 17.9514 GPRESSURE: 1855800 196.471 1.02246 -155.725 -37.5281 52.6719 129.43 -222.95 2.81286 57.2679 PRESSAVG: 1855800 41.0505 -27.2814 16.8348 -27.2814 -45.9009 42.3977 16.8348 42.3977 -29.0439 GPRESSAVG: 1855800 42.4666 -27.1489 13.4689 -29.0234 -46.5254 41.6954 19.275 40.8331 -29.7865 TIMING: 1855800 CPU: 5521.41, 0.00297648/step Wall: 5521.41, 0.00297648/step, 2.59962 hours remaining, 204.718750 MB of memory in use. ENERGY: 1855800 729.8728 2091.9002 1930.8081 109.5863 -206193.2576 17845.8268 0.0000 0.0000 34429.9727 -149055.2907 300.6855 -183485.2634 -148954.6305 300.0792 67.7198 102.1368 557331.5511 -11.2981 -11.2817 PRESSURE: 1856000 -119.84 22.5831 -60.1635 22.5814 20.7091 -15.5802 -60.1649 -15.5791 101.699 GPRESSURE: 1856000 -118.442 64.3765 -91.6052 124.701 65.7535 -107.687 -42.3278 112.151 158.391 PRESSAVG: 1856000 -29.1305 9.38428 31.7292 9.38434 -27.5698 -4.81438 31.7292 -4.81432 55.2178 GPRESSAVG: 1856000 -30.2346 8.12679 35.7906 8.75855 -26.1021 -1.84136 29.0157 -6.83951 54.9332 TIMING: 1856000 CPU: 5522, 0.00295729/step Wall: 5522, 0.00295729/step, 2.5827 hours remaining, 204.718750 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: 1856000 759.2119 2084.3686 1940.3840 110.1073 -206089.6531 17830.2391 0.0000 0.0000 34394.9592 -148970.3830 300.3797 -183365.3422 -148873.8175 300.3673 0.8560 35.2343 558227.7575 -0.4942 -0.4678 PRESSURE: 1856200 61.5391 -8.71 92.0308 -8.70879 -305.98 -24.3985 92.0317 -24.3985 -20.6834 GPRESSURE: 1856200 129.427 3.97123 -13.6002 -15.2361 -252.02 -10.3018 122.681 -68.0077 -55.1012 PRESSAVG: 1856200 -20.1536 24.5534 17.7864 24.5533 -13.7464 -39.6994 17.7864 -39.6993 9.21249 GPRESSAVG: 1856200 -19.8358 25.435 15.3845 24.3184 -13.7448 -40.5853 17.6546 -39.4846 8.88148 TIMING: 1856200 CPU: 5522.59, 0.00297116/step Wall: 5522.59, 0.00297116/step, 2.59465 hours remaining, 204.718750 MB of memory in use. ENERGY: 1856200 715.9922 2088.7360 1923.9348 124.0730 -206015.1470 17793.1680 0.0000 0.0000 34229.5164 -149139.7266 298.9349 -183369.2430 -149041.4425 299.2708 -88.3749 -59.2317 559832.6463 -8.2292 -8.2331 LDB: ============= START OF LOAD BALANCING ============== 5526.02 LDB: ============== END OF LOAD BALANCING =============== 5526.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5526.02 LDB: ============= START OF LOAD BALANCING ============== 5526.32 LDB: Largest compute 4847 load 0.025521 is 21.6% of average load 0.117983 LDB: Average compute 0.001732 is 1.5% of average load 0.117983 LDB: TIME 5526.32 LOAD: AVG 0.117983 MAX 0.196303 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.543 MB LDB: TIME 5526.32 LOAD: AVG 0.117983 MAX 0.196303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.551 MB LDB: TIME 5526.32 LOAD: AVG 0.117983 MAX 0.196303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.551 MB LDB: ============== END OF LOAD BALANCING =============== 5526.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5526.33 PRESSURE: 1856400 -163.686 73.178 -10.4534 73.1787 -236.763 210.06 -10.4522 210.06 -481.065 GPRESSURE: 1856400 -137.518 66.713 -5.5065 26.0227 -257.095 155.863 42.2237 212.44 -372.251 PRESSAVG: 1856400 66.722 -10.5726 27.6876 -10.5725 -45.0478 4.43907 27.6876 4.43904 -51.3919 GPRESSAVG: 1856400 66.2999 -11.3493 27.3721 -8.78573 -45.9566 3.5266 30.3444 5.49284 -49.9916 TIMING: 1856400 CPU: 5523.2, 0.00303265/step Wall: 5523.2, 0.00303265/step, 2.64817 hours remaining, 205.230469 MB of memory in use. ENERGY: 1856400 731.1311 2130.2227 1937.2760 104.8611 -206134.4810 17527.4872 0.0000 0.0000 34500.0819 -149203.4211 301.2978 -183703.5030 -149107.5731 299.3318 -293.8379 -255.6213 560276.2660 -9.9059 -9.8828 PRESSURE: 1856600 -111.464 17.1306 -51.691 17.1302 63.1586 -158.248 -51.6907 -158.25 17.3095 GPRESSURE: 1856600 -44.8177 -5.75576 79.7713 4.32652 65.6971 -137.237 -105.431 -152.315 38.9695 PRESSAVG: 1856600 53.0895 53.4509 26.7517 53.4509 -65.2639 -22.8931 26.7517 -22.8931 54.1231 GPRESSAVG: 1856600 52.2608 54.7892 29.7261 53.7112 -64.7755 -23.31 24.261 -21.903 54.2439 TIMING: 1856600 CPU: 5523.8, 0.00298303/step Wall: 5523.8, 0.00298303/step, 2.60468 hours remaining, 205.230469 MB of memory in use. ENERGY: 1856600 735.8672 2118.8575 1922.0641 102.2236 -205917.8033 17708.3716 0.0000 0.0000 34159.7853 -149170.6338 298.3259 -183330.4191 -149074.3519 299.7172 -10.3319 19.9496 559633.0152 13.9829 13.9097 PRESSURE: 1856800 -269.185 -114.507 93.6387 -114.507 -345.317 17.9995 93.6391 18.0006 -148.653 GPRESSURE: 1856800 -229.229 -93.0008 98.6661 -132.828 -346.074 4.40127 13.8979 70.5352 -84.1011 PRESSAVG: 1856800 -54.0504 -37.0258 12.2283 -37.0258 7.45359 -28.0781 12.2283 -28.078 28.6123 GPRESSAVG: 1856800 -53.5945 -38.4914 9.91932 -36.0112 6.82124 -26.8076 12.4242 -29.8084 28.3835 TIMING: 1856800 CPU: 5524.39, 0.00298585/step Wall: 5524.39, 0.00298585/step, 2.60698 hours remaining, 205.230469 MB of memory in use. ENERGY: 1856800 753.5063 2140.6746 1923.5230 114.7799 -205688.3933 17452.8749 0.0000 0.0000 34228.9541 -149074.0804 298.9300 -183303.0345 -148980.9539 298.9594 -254.3852 -219.8014 558862.7951 -5.9948 -6.1299 PRESSURE: 1857000 -310.487 -127.354 -81.6727 -127.354 -325.7 149.98 -81.6721 149.979 -208.714 GPRESSURE: 1857000 -303.16 -92.0293 -88.8023 -131.748 -306.319 130.536 -71.9135 109.512 -134.493 PRESSAVG: 1857000 -98.9315 7.89028 -21.3041 7.89033 -23.7694 13.1187 -21.3041 13.1187 73.6144 GPRESSAVG: 1857000 -99.0558 8.08106 -21.1484 6.1606 -22.9525 11.8327 -21.2903 11.9559 72.8619 TIMING: 1857000 CPU: 5524.99, 0.00297237/step Wall: 5524.99, 0.00297237/step, 2.59504 hours remaining, 205.230469 MB of memory in use. ENERGY: 1857000 744.3390 2085.0564 1969.1727 108.8829 -205335.2419 17217.4605 0.0000 0.0000 34208.9321 -149001.3983 298.7551 -183210.3304 -148908.6064 299.5168 -281.6334 -247.9908 559305.4344 -16.3622 -16.3821 PRESSURE: 1857200 -324.234 226.626 39.7627 226.626 -68.3342 -21.1435 39.7624 -21.1431 59.6095 GPRESSURE: 1857200 -324.958 214.33 73.3325 250.622 -102.19 -48.3303 -28.0004 9.52785 192.555 PRESSAVG: 1857200 -50.1808 1.75166 32.563 1.7517 -2.4627 23.4662 32.563 23.4662 26.4174 GPRESSAVG: 1857200 -50.2993 0.689628 32.8885 2.64772 -3.5426 24.3587 33.6481 24.5488 27.7785 TIMING: 1857200 CPU: 5525.58, 0.00298196/step Wall: 5525.58, 0.00298196/step, 2.60325 hours remaining, 205.230469 MB of memory in use. ENERGY: 1857200 736.5111 2093.7318 1943.6528 110.9438 -206153.7391 17685.0647 0.0000 0.0000 34392.6266 -149191.2084 300.3594 -183583.8350 -149097.6249 299.5251 -110.9862 -78.1978 558968.7174 -8.7421 -8.6878 PRESSURE: 1857400 -96.8136 -99.33 7.12945 -99.3296 162.412 70.7231 7.12897 70.7221 -80.0889 GPRESSURE: 1857400 -42.5552 -55.7718 -24.8949 -141.078 150.951 -13.8231 -3.04973 85.391 -15.0251 PRESSAVG: 1857400 -20.695 30.6268 47.8571 30.6269 -2.77323 53.5289 47.8571 53.5288 15.2951 GPRESSAVG: 1857400 -19.8643 33.0458 45.9443 28.6912 -2.2243 53.8464 46.0336 51.933 13.4004 TIMING: 1857400 CPU: 5526.18, 0.00297985/step Wall: 5526.18, 0.00297985/step, 2.60124 hours remaining, 205.230469 MB of memory in use. ENERGY: 1857400 751.6190 2115.0453 1947.6911 138.4481 -206372.6213 17870.3043 0.0000 0.0000 34312.6553 -149236.8583 299.6610 -183549.5135 -149136.7561 299.9209 -4.8300 31.1237 557330.1257 -2.7244 -2.8961 PRESSURE: 1857600 -202.626 96.5518 -16.0758 96.5507 -247.954 -90.4023 -16.0754 -90.4017 -147.118 GPRESSURE: 1857600 -129.633 19.5758 -36.6704 117.446 -205.287 -207.721 -6.7501 -8.89833 -169.467 PRESSAVG: 1857600 3.23472 43.9894 39.7977 43.9894 20.4938 -63.4252 39.7978 -63.4252 10.9537 GPRESSAVG: 1857600 3.19004 42.5278 41.8711 45.6127 20.5758 -63.6021 40.5584 -61.5616 10.5373 TIMING: 1857600 CPU: 5526.78, 0.00298318/step Wall: 5526.78, 0.00298318/step, 2.60398 hours remaining, 205.230469 MB of memory in use. ENERGY: 1857600 733.9195 2119.3458 1964.0588 119.7661 -205923.1936 17404.1732 0.0000 0.0000 34157.5129 -149424.4175 298.3061 -183581.9303 -149322.5829 299.3469 -199.2327 -168.1290 557110.7171 11.5608 11.4344 PRESSURE: 1857800 -383.155 -6.41192 -66.2843 -6.41351 -156.921 -32.929 -66.2836 -32.929 -92.7044 GPRESSURE: 1857800 -327.894 69.6637 -95.7461 -47.3516 -168.57 25.0191 -41.3397 -44.2989 -24.0279 PRESSAVG: 1857800 -32.2071 16.0846 -20.1049 16.0847 27.7644 2.09342 -20.105 2.09351 17.6095 GPRESSAVG: 1857800 -31.361 18.4532 -20.5327 16.7828 26.4367 0.676798 -20.5478 1.59971 18.3258 TIMING: 1857800 CPU: 5527.37, 0.00296031/step Wall: 5527.37, 0.00296031/step, 2.58386 hours remaining, 205.230469 MB of memory in use. ENERGY: 1857800 730.2406 2131.7554 1932.6749 117.4920 -206110.4389 17503.0577 0.0000 0.0000 34243.5601 -149451.6582 299.0575 -183695.2184 -149359.1880 298.7706 -210.9268 -173.4973 556046.9047 4.3889 4.4672 PRESSURE: 1858000 -103.413 -44.6849 -123.54 -44.6867 -85.2844 82.4915 -123.541 82.4889 -2.39746 GPRESSURE: 1858000 -73.4367 -122.999 -179.074 -7.0067 -73.1842 109.593 -152.026 49.1716 44.6569 PRESSAVG: 1858000 -13.6757 -23.5007 -10.8407 -23.5009 -42.3734 42.6248 -10.8406 42.6249 61.0064 GPRESSAVG: 1858000 -14.6387 -23.6853 -10.5471 -25.2927 -41.0786 43.4606 -9.50902 43.5996 60.3076 TIMING: 1858000 CPU: 5527.96, 0.00297582/step Wall: 5527.96, 0.00297582/step, 2.59723 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: 1858000 790.4495 2087.0746 1938.9446 100.5187 -206607.7939 17879.3253 0.0000 0.0000 34212.0013 -149599.4799 298.7819 -183811.4812 -149511.7440 298.4143 -63.6983 -33.9880 558318.6992 1.6525 1.5301 PRESSURE: 1858200 -220.266 12.5163 7.18695 12.5142 103.889 -19.6362 7.18779 -19.6372 161.109 GPRESSURE: 1858200 -204.139 -71.1442 5.88439 60.0566 106.654 -6.06511 12.0423 -70.1093 237.553 PRESSAVG: 1858200 -33.6752 -35.741 -3.47471 -35.741 -9.05254 -35.7407 -3.47488 -35.7407 22.2483 GPRESSAVG: 1858200 -34.763 -34.9973 -4.80881 -35.512 -9.78339 -34.668 -1.5427 -36.7737 23.7055 TIMING: 1858200 CPU: 5528.56, 0.00298658/step Wall: 5528.56, 0.00298658/step, 2.60645 hours remaining, 205.230469 MB of memory in use. ENERGY: 1858200 745.1481 2120.2068 1939.1511 118.4886 -206414.8243 17761.4792 0.0000 0.0000 34056.1267 -149674.2238 297.4206 -183730.3505 -149580.7842 297.9622 14.9106 46.6894 556792.0425 -6.8265 -6.9469 PRESSURE: 1858400 -284.813 -33.1113 -76.7158 -33.1114 431.394 -52.1181 -76.716 -52.1195 169.547 GPRESSURE: 1858400 -237.726 -64.8762 -159.735 -13.1062 430.876 -34.1052 -32.726 -101.413 214.732 PRESSAVG: 1858400 -28.2329 -27.7381 0.0553226 -27.7381 2.75488 -48.8122 0.0553721 -48.8123 25.9469 GPRESSAVG: 1858400 -27.6126 -30.8006 1.16534 -27.9947 3.45866 -50.976 -1.96908 -47.1529 23.8738 TIMING: 1858400 CPU: 5529.16, 0.00297568/step Wall: 5529.16, 0.00297568/step, 2.59678 hours remaining, 205.230469 MB of memory in use. ENERGY: 1858400 714.1336 2123.3734 1949.1403 124.6667 -206495.6317 17965.9877 0.0000 0.0000 34104.5778 -149513.7521 297.8438 -183618.3300 -149425.2226 297.7164 105.3757 135.9608 556835.5702 0.1563 -0.0934 PRESSURE: 1858600 180.016 -34.4394 99.2458 -34.4387 346.737 -102.706 99.2473 -102.705 235.423 GPRESSURE: 1858600 183.133 68.1505 206.619 -98.6214 380.392 -112.699 28.9715 -114.591 291.278 PRESSAVG: 1858600 -5.1327 -50.1342 -21.7138 -50.1341 75.6672 -23.123 -21.7138 -23.123 -37.2425 GPRESSAVG: 1858600 -4.95485 -50.5432 -22.5194 -47.8819 75.5054 -23.9077 -21.1705 -23.0643 -37.0874 TIMING: 1858600 CPU: 5529.75, 0.00299188/step Wall: 5529.75, 0.00299188/step, 2.61075 hours remaining, 205.230469 MB of memory in use. ENERGY: 1858600 785.4901 2088.2799 1946.0189 113.1600 -206897.4071 18257.6792 0.0000 0.0000 34349.5198 -149357.2591 299.9829 -183706.7789 -149263.6805 298.5171 254.0590 284.9344 556710.5983 11.0974 11.1544 PRESSURE: 1858800 132.793 122.054 -66.4647 122.054 145.025 -8.33127 -66.4653 -8.32716 -90.4158 GPRESSURE: 1858800 104.435 170.058 -49.2383 175.582 132.905 -37.3167 -38.8046 44.4767 48.1571 PRESSAVG: 1858800 -6.49893 -6.00977 10.8177 -6.00971 51.1369 -22.0925 10.8177 -22.0925 -7.30066 GPRESSAVG: 1858800 -6.71044 -5.06232 11.1949 -4.35893 51.5639 -20.724 11.3467 -23.7159 -8.14487 TIMING: 1858800 CPU: 5530.36, 0.00302175/step Wall: 5530.36, 0.00302175/step, 2.63664 hours remaining, 205.230469 MB of memory in use. ENERGY: 1858800 786.5831 2123.7299 1937.6692 111.9380 -206631.8338 18063.8514 0.0000 0.0000 34055.7394 -149552.3229 297.4172 -183608.0623 -149458.7442 298.6892 62.4675 95.1659 557720.0669 12.4458 12.2362 PRESSURE: 1859000 27.0629 -49.8204 79.9335 -49.8212 -35.3866 -190.817 79.9336 -190.817 -90.885 GPRESSURE: 1859000 35.6241 -46.5875 -8.14792 -124.513 24.7712 -213.56 65.7784 -133.781 -60.33 PRESSAVG: 1859000 32.0041 -37.7217 -44.959 -37.7218 -28.6087 -47.7987 -44.959 -47.7987 -7.19292 GPRESSAVG: 1859000 31.7382 -36.9269 -44.7809 -39.9799 -29.7414 -46.4956 -45.6952 -49.7367 -5.61515 TIMING: 1859000 CPU: 5530.96, 0.00298904/step Wall: 5530.96, 0.00298904/step, 2.60794 hours remaining, 205.230469 MB of memory in use. ENERGY: 1859000 766.3336 2064.8076 1941.4240 127.9552 -206632.6915 17945.9258 0.0000 0.0000 34274.0935 -149512.1519 299.3242 -183786.2454 -149414.9969 297.9203 -33.0696 0.0218 558756.9526 -1.2659 -1.2061 PRESSURE: 1859200 -277.68 79.4943 -68.2861 79.4945 -238.964 -42.9471 -68.2857 -42.9474 12.4905 GPRESSURE: 1859200 -195.004 105.951 -135.035 47.4214 -201.48 -17.266 -26.5664 -39.0995 -17.4729 PRESSAVG: 1859200 -12.6563 -9.87949 -4.9575 -9.87937 62.6169 7.37543 -4.95754 7.37553 -69.3032 GPRESSAVG: 1859200 -13.0152 -10.9248 -5.82407 -8.43846 62.6557 7.8592 -4.41337 9.46998 -69.0126 TIMING: 1859200 CPU: 5531.55, 0.00296613/step Wall: 5531.55, 0.00296613/step, 2.58779 hours remaining, 205.230469 MB of memory in use. ENERGY: 1859200 741.5551 2038.1055 1975.1345 109.7135 -206211.1816 17730.5431 0.0000 0.0000 34189.5499 -149426.5800 298.5858 -183616.1299 -149329.8208 298.6770 -168.0513 -137.9858 558989.2783 -6.4475 -6.4574 PRESSURE: 1859400 -104.556 -37.036 -12.3629 -37.0369 -239.658 25.7251 -12.3629 25.7253 292.378 GPRESSURE: 1859400 -103.136 -19.9613 8.25218 -6.2008 -168.614 96.1107 -76.7116 3.58386 315.735 PRESSAVG: 1859400 -40.7391 -0.00225459 -1.62234 -0.00213345 -0.899088 50.8201 -1.62233 50.8203 24.0907 GPRESSAVG: 1859400 -40.8974 0.509953 0.513623 -1.76985 -0.648329 51.1742 -2.38249 49.1953 24.1436 TIMING: 1859400 CPU: 5532.14, 0.00294565/step Wall: 5532.14, 0.00294565/step, 2.56975 hours remaining, 205.230469 MB of memory in use. ENERGY: 1859400 721.5608 2101.0279 1957.2633 104.3118 -206288.4362 17768.9843 0.0000 0.0000 34196.1399 -149439.1482 298.6434 -183635.2881 -149342.4499 298.3027 -17.2784 14.6614 556729.4217 -5.8492 -5.8007 PRESSURE: 1859600 -99.4865 -104.719 -63.7245 -104.719 -64.5446 -179.984 -63.7252 -179.983 -13.4419 GPRESSURE: 1859600 -60.0402 -54.0764 -49.6006 -171.452 -13.6672 -124.136 4.51717 -207.904 -1.76472 PRESSAVG: 1859600 -67.0812 -3.68408 3.50402 -3.68406 -15.4484 -28.8322 3.50401 -28.8321 71.8282 GPRESSAVG: 1859600 -67.3424 -1.73727 2.95722 -3.13148 -14.8628 -28.8892 3.19718 -27.6779 71.0772 TIMING: 1859600 CPU: 5532.73, 0.00296878/step Wall: 5532.73, 0.00296878/step, 2.58977 hours remaining, 205.230469 MB of memory in use. ENERGY: 1859600 733.1967 2075.0031 1941.8963 122.7332 -206373.3717 17810.2339 0.0000 0.0000 34173.8637 -149516.4448 298.4489 -183690.3085 -149417.1736 298.5061 -59.1576 -25.1574 557433.2080 -3.5672 -3.7094 PRESSURE: 1859800 127.36 -43.4678 -14.9277 -43.4681 -29.2062 12.2333 -14.928 12.2328 -24.0931 GPRESSURE: 1859800 181.382 -86.6147 -84.217 -102.457 15.4219 28.6255 73.6443 35.7833 -34.4794 PRESSAVG: 1859800 8.40169 -19.5742 -17.7588 -19.5744 2.01062 4.25793 -17.7587 4.25794 29.0738 GPRESSAVG: 1859800 9.02263 -22.7114 -17.5965 -18.7126 1.13561 4.53484 -17.4071 3.05037 29.3418 TIMING: 1859800 CPU: 5533.33, 0.00296413/step Wall: 5533.33, 0.00296413/step, 2.58555 hours remaining, 205.230469 MB of memory in use. ENERGY: 1859800 697.5533 2028.0209 1958.6473 118.4194 -206598.1106 17996.3511 0.0000 0.0000 34348.3056 -149450.8131 299.9723 -183799.1187 -149354.0520 299.2073 24.6869 54.1081 557743.9482 13.1620 13.1667 PRESSURE: 1860000 -250.001 -153.476 -19.4525 -153.476 -117.863 0.438643 -19.4517 0.440227 -43.5882 GPRESSURE: 1860000 -219.708 -225.292 60.6206 -174.755 -59.0279 -18.7965 -50.4692 71.7683 -18.0801 PRESSAVG: 1860000 -16.4808 -32.2959 -1.69216 -32.2958 -61.8354 -69.5828 -1.69213 -69.5828 79.1741 GPRESSAVG: 1860000 -17.2366 -31.842 -1.88878 -30.9765 -62.2181 -72.1794 -1.57099 -66.7145 80.3127 TIMING: 1860000 CPU: 5533.92, 0.00296099/step Wall: 5533.92, 0.00296099/step, 2.58264 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: 1860000 745.8554 2119.3586 1957.7399 118.2535 -206358.1610 17816.4169 0.0000 0.0000 34168.7279 -149431.8088 298.4040 -183600.5367 -149334.2118 298.4678 -137.1508 -98.9388 557693.2463 0.2860 0.2860 PRESSURE: 1860200 8.52307 1.77869 50.8612 1.77895 119.743 74.3798 50.8606 74.3787 -45.7858 GPRESSURE: 1860200 93.7943 -29.9642 48.2859 33.9163 134.177 60.0612 20.9206 55.0784 -62.8832 PRESSAVG: 1860200 -33.8195 55.9713 14.669 55.9712 22.9491 10.9982 14.669 10.9982 31.478 GPRESSAVG: 1860200 -33.824 56.7755 14.959 54.25 23.576 14.6664 14.9385 9.09591 30.5706 TIMING: 1860200 CPU: 5534.51, 0.00296395/step Wall: 5534.51, 0.00296395/step, 2.58506 hours remaining, 205.230469 MB of memory in use. ENERGY: 1860200 745.7524 2089.4718 1969.1994 117.1170 -206253.2771 17814.1804 0.0000 0.0000 34135.7395 -149381.8165 298.1159 -183517.5561 -149295.3132 298.3350 27.4935 55.0294 558049.9172 6.8692 6.7742 LDB: ============= START OF LOAD BALANCING ============== 5537.94 LDB: ============== END OF LOAD BALANCING =============== 5537.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5537.95 LDB: ============= START OF LOAD BALANCING ============== 5538.25 LDB: Largest compute 4847 load 0.023787 is 20.2% of average load 0.117921 LDB: Average compute 0.001727 is 1.5% of average load 0.117921 LDB: TIME 5538.25 LOAD: AVG 0.117921 MAX 0.199171 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 5538.25 LOAD: AVG 0.117921 MAX 0.199171 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: TIME 5538.25 LOAD: AVG 0.117921 MAX 0.199171 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5538.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5538.25 PRESSURE: 1860400 32.0634 86.3452 222.922 86.3458 47.6468 36.898 222.922 36.897 107.819 GPRESSURE: 1860400 80.5409 14.3187 164.213 131.73 63.9055 47.1122 324.412 43.1099 134.513 PRESSAVG: 1860400 -49.4598 22.2198 -9.03851 22.2198 -29.5043 6.72818 -9.03849 6.72814 73.4503 GPRESSAVG: 1860400 -48.9399 22.6468 -8.77534 21.6912 -28.961 5.82645 -8.26398 5.46272 72.6642 TIMING: 1860400 CPU: 5535.12, 0.00307073/step Wall: 5535.12, 0.00307073/step, 2.67802 hours remaining, 206.578125 MB of memory in use. ENERGY: 1860400 718.2932 2129.3247 1941.4748 126.8925 -206338.5497 17998.4710 0.0000 0.0000 34103.7238 -149320.3697 297.8363 -183424.0935 -149220.1927 298.4885 62.5097 92.9865 558566.3792 -1.8379 -1.7456 PRESSURE: 1860600 -289.012 24.7073 134.831 24.7078 -227.659 200.318 134.831 200.318 -125.875 GPRESSURE: 1860600 -231.239 51.8012 118.267 86.4255 -183.092 70.1458 122.833 194.94 -135.853 PRESSAVG: 1860600 -36.5023 26.6432 29.0487 26.6432 35.087 -29.0616 29.0487 -29.0616 -33.6792 GPRESSAVG: 1860600 -36.3842 27.8443 28.5076 27.477 34.5288 -30.4826 28.6233 -28.0189 -33.4506 TIMING: 1860600 CPU: 5535.72, 0.00296704/step Wall: 5535.72, 0.00296704/step, 2.58742 hours remaining, 207.039062 MB of memory in use. ENERGY: 1860600 725.9307 2071.7906 1934.9661 109.2475 -205620.4044 17426.7541 0.0000 0.0000 34204.6478 -149147.0677 298.7177 -183351.7155 -149052.7102 298.7959 -214.1820 -183.3947 558795.3888 -11.6982 -11.7687 PRESSURE: 1860800 17.1339 -114.035 38.0931 -114.034 20.4962 164.443 38.0942 164.442 -0.946924 GPRESSURE: 1860800 55.7839 -107.669 61.3511 -136.582 -13.4383 79.4871 1.9452 195.548 97.0196 PRESSAVG: 1860800 -11.8298 10.8978 32.792 10.8978 4.87539 49.558 32.792 49.558 29.2438 GPRESSAVG: 1860800 -12.5216 9.68949 32.5279 9.2814 4.49127 45.9635 32.163 53.3563 29.7174 TIMING: 1860800 CPU: 5536.31, 0.00296683/step Wall: 5536.31, 0.00296682/step, 2.58707 hours remaining, 207.039062 MB of memory in use. ENERGY: 1860800 709.5888 2126.9859 1948.0957 105.9244 -206206.8375 17828.1319 0.0000 0.0000 34162.2529 -149325.8579 298.3475 -183488.1108 -149229.8134 298.7450 12.2277 46.4551 558064.8449 7.4298 7.2291 PRESSURE: 1861000 4.30647 -1.67821 8.40458 -1.67846 -129.67 240.428 8.40458 240.427 4.39823 GPRESSURE: 1861000 32.1523 -88.2207 83.7287 27.6124 -86.1239 321.842 -32.1279 175.16 29.7525 PRESSAVG: 1861000 -8.9721 42.0281 -88.0845 42.028 -26.2064 31.7817 -88.0846 31.7816 25.8463 GPRESSAVG: 1861000 -9.49215 41.9297 -86.2904 44.2049 -25.7767 35.4993 -88.5509 27.3877 25.4183 TIMING: 1861000 CPU: 5536.9, 0.00296402/step Wall: 5536.9, 0.00296402/step, 2.58446 hours remaining, 207.039062 MB of memory in use. ENERGY: 1861000 742.6411 2103.8884 1939.7035 117.0146 -206364.8297 17825.9305 0.0000 0.0000 34175.7878 -149459.8637 298.4657 -183635.6516 -149369.8715 298.5821 -40.3218 -8.0730 557785.9022 -3.1107 -3.2835 PRESSURE: 1861200 -164.986 -130.934 15.0445 -130.933 -97.5407 52.499 15.0433 52.5007 -115.547 GPRESSURE: 1861200 -127.066 -49.8324 33.9593 -189.488 -79.725 67.2789 -153.692 28.0796 -74.9328 PRESSAVG: 1861200 -22.6232 -13.7853 22.3277 -13.7854 8.11678 20.5405 22.3278 20.5406 12.6076 GPRESSAVG: 1861200 -23.3297 -14.4073 18.619 -13.0702 9.0943 20.3146 23.7265 22.207 12.7292 TIMING: 1861200 CPU: 5537.5, 0.00296551/step Wall: 5537.5, 0.00296551/step, 2.58559 hours remaining, 207.039062 MB of memory in use. ENERGY: 1861200 720.6542 2057.8659 1941.1381 118.9299 -205947.0779 17583.6137 0.0000 0.0000 34040.4193 -149484.4568 297.2834 -183524.8761 -149396.3946 298.8267 -126.0245 -93.9081 557014.4702 -0.6329 -0.5020 PRESSURE: 1861400 89.1663 63.3754 76.852 63.3762 108.565 -130.766 76.8525 -130.767 80.3104 GPRESSURE: 1861400 147.788 17.5478 48.65 135.198 158.244 -172.999 56.8144 -91.3786 65.4335 PRESSAVG: 1861400 -18.4267 4.69454 23.013 4.6946 -29.6967 27.3281 23.013 27.3282 29.3046 GPRESSAVG: 1861400 -16.3419 6.90713 25.1339 3.94615 -31.5189 27.2782 21.3235 27.7236 29.1995 TIMING: 1861400 CPU: 5538.09, 0.00294888/step Wall: 5538.09, 0.00294888/step, 2.57094 hours remaining, 207.039062 MB of memory in use. ENERGY: 1861400 748.0351 2088.5506 1935.7839 127.3808 -206348.2361 17902.4905 0.0000 0.0000 34151.4170 -149394.5782 298.2528 -183545.9952 -149294.2073 298.5746 92.6807 123.8216 556494.9026 -6.2729 -6.2204 PRESSURE: 1861600 -179.03 122.542 -17.7877 122.542 -322.806 236.84 -17.7871 236.841 140.172 GPRESSURE: 1861600 -119.29 224.565 60.1136 72.8572 -279.723 192.088 -0.389584 211.765 133.268 PRESSAVG: 1861600 -77.0943 -15.9872 19.6448 -15.9871 12.4548 37.9022 19.6447 37.9022 70.4748 GPRESSAVG: 1861600 -78.0676 -17.8301 18.8953 -16.4314 12.157 38.5072 21.3709 37.3651 71.3029 TIMING: 1861600 CPU: 5538.68, 0.00296434/step Wall: 5538.68, 0.00296434/step, 2.58424 hours remaining, 207.039062 MB of memory in use. ENERGY: 1861600 737.9783 2111.8213 1954.8677 108.1867 -206286.5584 17674.2795 0.0000 0.0000 34331.9890 -149367.4360 299.8298 -183699.4249 -149271.6883 298.3400 -120.5547 -88.5816 557924.5980 1.9451 1.7974 PRESSURE: 1861800 -43.9496 -74.4186 49.2041 -74.4189 -53.1164 -43.283 49.2041 -43.283 317.369 GPRESSURE: 1861800 -44.4737 -46.2013 50.2206 -127.199 15.6391 -0.984161 -48.0287 -88.5262 334.336 PRESSAVG: 1861800 -66.6661 -23.1636 -6.17197 -23.1635 -16.6445 35.1453 -6.17191 35.1453 36.6377 GPRESSAVG: 1861800 -67.1161 -22.1366 -7.14896 -24.3429 -15.7478 33.8645 -6.72785 35.3106 36.6931 TIMING: 1861800 CPU: 5539.28, 0.00297897/step Wall: 5539.28, 0.00297897/step, 2.59683 hours remaining, 207.039062 MB of memory in use. ENERGY: 1861800 727.7944 2116.8895 1935.9034 107.5026 -206822.4380 18098.3005 0.0000 0.0000 34398.5975 -149437.4501 300.4115 -183836.0477 -149344.4586 299.2970 73.4343 101.8339 556182.2883 -15.5576 -15.3902 PRESSURE: 1862000 -60.0389 6.25194 -35.5847 6.25051 -24.2305 48.5369 -35.5848 48.5369 -186.528 GPRESSURE: 1862000 -24.7207 17.519 6.99549 17.3444 21.33 64.4597 -76.5033 30.7311 -180.472 PRESSAVG: 1862000 16.9953 -8.54926 -2.12015 -8.54926 -14.4831 29.1349 -2.12018 29.135 67.6859 GPRESSAVG: 1862000 17.5866 -8.24282 -0.777921 -8.43702 -15.5634 30.0842 -2.38334 29.1654 67.645 TIMING: 1862000 CPU: 5539.87, 0.00295355/step Wall: 5539.87, 0.00295355/step, 2.57451 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: 1862000 740.9623 2063.0235 1975.2416 116.9220 -206184.4937 17725.4037 0.0000 0.0000 34230.3905 -149332.5501 298.9425 -183562.9406 -149233.7205 298.7552 -90.2658 -61.2875 557765.5614 23.3994 23.2228 PRESSURE: 1862200 -326.888 67.6646 44.4597 67.6643 -444.318 -116.527 44.4598 -116.527 64.5992 GPRESSURE: 1862200 -295.154 61.1851 5.60933 21.3858 -380.579 -80.418 -2.62292 -75.2096 85.9148 PRESSAVG: 1862200 -35.942 1.99821 -57.1427 1.99816 12.8797 -4.59019 -57.1428 -4.59016 0.794221 GPRESSAVG: 1862200 -35.7962 1.85943 -56.6804 2.53012 14.8141 -2.91248 -58.6995 -5.16707 -0.337823 TIMING: 1862200 CPU: 5540.46, 0.00294824/step Wall: 5540.46, 0.00294824/step, 2.56971 hours remaining, 207.039062 MB of memory in use. ENERGY: 1862200 758.7168 2081.9902 1927.5303 110.5296 -205976.9065 17670.3619 0.0000 0.0000 34135.4107 -149292.3671 298.1130 -183427.7778 -149198.1740 298.9638 -235.5355 -196.6061 557490.3367 -7.4227 -7.1066 PRESSURE: 1862400 86.7383 -108.213 -88.8868 -108.212 -36.8025 -25.9712 -88.8867 -25.9715 -194.087 GPRESSURE: 1862400 112.939 -20.5013 -165.489 -163.231 61.7673 -65.9995 11.7083 -69.0967 -213.887 PRESSAVG: 1862400 -51.7774 67.1129 -30.4841 67.1128 14.1877 -42.057 -30.4842 -42.0571 31.123 GPRESSAVG: 1862400 -51.9776 67.7701 -30.728 66.159 14.3224 -44.2476 -28.4026 -38.3686 31.2948 TIMING: 1862400 CPU: 5541.05, 0.00295257/step Wall: 5541.05, 0.00295257/step, 2.57333 hours remaining, 207.039062 MB of memory in use. ENERGY: 1862400 739.0620 2073.6090 1931.5967 111.4969 -206135.4486 17811.1799 0.0000 0.0000 34035.1962 -149433.3080 297.2378 -183468.5041 -149334.5672 298.2855 -48.0503 -13.0602 556471.3608 -2.1556 -2.1202 PRESSURE: 1862600 -40.2559 -19.9185 55.6547 -19.9181 9.37405 -197.824 55.6553 -197.825 -241.091 GPRESSURE: 1862600 20.1259 -44.5401 12.2331 -30.8781 43.381 -238.237 22.8769 -234.774 -227.966 PRESSAVG: 1862600 -12.8819 14.5486 -2.07502 14.5486 13.8316 -53.3633 -2.07509 -53.3633 27.4294 GPRESSAVG: 1862600 -12.8836 14.2292 -3.57182 15.7884 12.5397 -51.9037 -2.37355 -55.357 28.8164 TIMING: 1862600 CPU: 5541.64, 0.002955/step Wall: 5541.64, 0.002955/step, 2.57528 hours remaining, 207.039062 MB of memory in use. ENERGY: 1862600 711.3064 2100.6712 1929.7755 120.2579 -206154.0964 17590.2703 0.0000 0.0000 34222.0562 -149479.7590 298.8697 -183701.8151 -149380.8088 298.4582 -90.6575 -54.8197 556891.9963 9.4597 9.4908 PRESSURE: 1862800 53.9917 60.2029 97.5919 60.2037 51.567 41.4706 97.5928 41.4716 -182.988 GPRESSURE: 1862800 5.38177 77.133 127.078 114.531 110.798 135.746 96.5834 -6.23252 -105.399 PRESSAVG: 1862800 15.7963 -65.1985 9.1097 -65.1984 -5.34024 -33.933 9.10975 -33.9331 -27.7914 GPRESSAVG: 1862800 14.6934 -65.9513 11.1944 -64.2415 -4.56094 -33.043 9.41363 -34.8597 -28.0727 TIMING: 1862800 CPU: 5542.23, 0.0029639/step Wall: 5542.23, 0.0029639/step, 2.58287 hours remaining, 207.039062 MB of memory in use. ENERGY: 1862800 775.4985 2036.7463 1960.0303 116.3124 -206212.0641 17833.6816 0.0000 0.0000 34067.6634 -149422.1316 297.5214 -183489.7950 -149333.1321 298.8147 -25.8099 3.5936 557156.4843 -5.7785 -5.9801 PRESSURE: 1863000 -148.838 26.4436 -147.262 26.4433 -441.693 -69.969 -147.26 -69.9688 -297.64 GPRESSURE: 1863000 -78.2406 65.774 -122.887 100.016 -430.607 -11.0022 -131.071 -147.206 -277.668 PRESSAVG: 1863000 97.5657 -12.3045 17.5154 -12.3045 -2.40389 -4.94911 17.5154 -4.94912 -59.9578 GPRESSAVG: 1863000 99.8608 -10.7432 17.6594 -13.3499 -3.08138 -7.30874 15.8046 -3.48894 -61.321 TIMING: 1863000 CPU: 5542.83, 0.00298635/step Wall: 5542.83, 0.00298635/step, 2.60228 hours remaining, 207.039062 MB of memory in use. ENERGY: 1863000 740.7215 2067.3841 1950.7198 127.0426 -205984.4847 17443.4943 0.0000 0.0000 33999.3877 -149655.7348 296.9251 -183655.1225 -149559.5896 298.3485 -296.0569 -262.1721 557905.5875 11.7347 11.8195 PRESSURE: 1863200 -207.769 43.5969 12.2876 43.5965 -327.071 79.5761 12.2869 79.5768 -23.8231 GPRESSURE: 1863200 -198.381 61.309 23.7695 6.1552 -284.641 127.1 -60.7067 97.6323 19.9908 PRESSAVG: 1863200 36.9502 15.6647 -0.186085 15.6647 26.1461 37.6404 -0.186031 37.6405 -55.0805 GPRESSAVG: 1863200 36.7665 13.09 -2.01692 16.3564 26.6231 37.1762 1.1589 38.3095 -54.7752 TIMING: 1863200 CPU: 5543.42, 0.00296837/step Wall: 5543.42, 0.00296837/step, 2.58644 hours remaining, 207.039062 MB of memory in use. ENERGY: 1863200 753.8649 2022.4878 1938.0549 122.1738 -206264.6303 17609.7240 0.0000 0.0000 34124.3533 -149693.9716 298.0165 -183818.3249 -149593.4608 298.3748 -186.2209 -154.3437 557668.8187 2.6719 2.8715 PRESSURE: 1863400 81.7229 -94.297 -121.505 -94.2988 -81.2324 -51.5564 -121.505 -51.5533 222.201 GPRESSURE: 1863400 160.06 1.16524 -1.49099 -77.8738 0.344716 -60.4607 -100.57 -78.7995 159.897 PRESSAVG: 1863400 -27.1305 -1.03561 39.6144 -1.03563 13.7662 27.3202 39.6145 27.3203 5.13786 GPRESSAVG: 1863400 -28.9041 1.82283 39.5992 -1.74161 14.4739 27.2283 40.5627 26.4352 6.23521 TIMING: 1863400 CPU: 5544.02, 0.0029737/step Wall: 5544.02, 0.0029737/step, 2.59091 hours remaining, 207.039062 MB of memory in use. ENERGY: 1863400 681.2455 2056.5813 1956.2688 103.1250 -206650.7688 18009.8779 0.0000 0.0000 34315.4722 -149528.1981 299.6856 -183843.6703 -149425.8600 298.6417 74.2304 106.7670 557858.7638 -2.7422 -2.7317 PRESSURE: 1863600 70.189 -67.5626 -64.707 -67.561 -79.1846 -8.31317 -64.7074 -8.31413 -140.287 GPRESSURE: 1863600 105.69 -58.9425 26.3815 -8.34579 2.98454 6.83766 -119.677 -76.5355 -164.196 PRESSAVG: 1863600 30.6012 13.5908 -20.4939 13.5908 -3.03311 8.70727 -20.4939 8.70732 -10.0121 GPRESSAVG: 1863600 31.0013 12.7649 -18.9367 11.9988 -3.3192 8.4173 -23.0987 8.54419 -10.0889 TIMING: 1863600 CPU: 5544.61, 0.00295756/step Wall: 5544.61, 0.00295756/step, 2.5767 hours remaining, 207.039062 MB of memory in use. ENERGY: 1863600 731.2890 2060.6291 1944.8365 111.2495 -206271.8710 17673.8348 0.0000 0.0000 34267.2582 -149482.7740 299.2645 -183750.0322 -149377.3780 299.0393 -49.7609 -18.5069 556351.6915 5.8520 5.8644 PRESSURE: 1863800 76.3075 -54.5898 -49.0516 -54.5902 -166.505 26.5532 -49.0513 26.5549 281.987 GPRESSURE: 1863800 131.55 -21.2695 -157.562 -108.255 -60.6375 -14.0605 -37.347 126.842 214.901 PRESSAVG: 1863800 -31.3884 -59.1605 -5.04577 -59.1605 18.8298 -26.0292 -5.0458 -26.0291 2.41665 GPRESSAVG: 1863800 -31.9185 -57.827 -5.79383 -58.9733 19.9522 -26.1923 -4.56078 -24.4772 1.17591 TIMING: 1863800 CPU: 5545.2, 0.00296621/step Wall: 5545.2, 0.00296621/step, 2.58406 hours remaining, 207.039062 MB of memory in use. ENERGY: 1863800 732.7617 2120.4004 1917.6280 120.3310 -206174.2611 17771.9807 0.0000 0.0000 34100.5181 -149410.6411 297.8083 -183511.1592 -149319.3181 298.8677 63.9297 95.2712 556258.9810 -3.3806 -3.5968 PRESSURE: 1864000 -95.6595 266.741 7.19402 266.74 91.1379 -18.3416 7.19376 -18.342 42.6806 GPRESSURE: 1864000 -103.399 270.49 40.4581 298.086 151.642 42.6427 20.8432 -0.396903 78.9131 PRESSAVG: 1864000 -8.01914 -4.98597 -23.3365 -4.98594 50.0325 -26.0021 -23.3364 -26.0022 -36.379 GPRESSAVG: 1864000 -6.84566 -6.04735 -21.9314 -3.67661 48.0262 -26.0723 -21.4725 -26.3499 -35.4057 TIMING: 1864000 CPU: 5545.79, 0.00294683/step Wall: 5545.79, 0.00294683/step, 2.56701 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: 1864000 707.7591 2059.2872 1921.6848 123.2040 -206469.1924 17842.7044 0.0000 0.0000 34325.6261 -149488.9267 299.7742 -183814.5528 -149392.1049 298.6388 12.7197 42.3853 557711.4794 1.8781 1.9250 PRESSURE: 1864200 44.7964 9.4103 -88.3292 9.41124 -103.054 17.9335 -88.3288 17.9326 180.35 GPRESSURE: 1864200 99.3427 19.8633 -117.718 3.47871 -66.4978 22.5057 13.1981 100.842 195.598 PRESSAVG: 1864200 32.2308 14.1572 -35.7598 14.1572 -47.3868 36.3266 -35.7598 36.3266 37.1972 GPRESSAVG: 1864200 29.9018 14.3694 -38.528 13.8818 -45.9629 39.0586 -35.8813 35.897 37.6907 TIMING: 1864200 CPU: 5546.38, 0.00295406/step Wall: 5546.38, 0.00295406/step, 2.57315 hours remaining, 207.039062 MB of memory in use. ENERGY: 1864200 772.1612 2028.2139 1930.7010 123.4386 -206506.8639 18066.5643 0.0000 0.0000 34164.6470 -149421.1378 298.3684 -183585.7848 -149325.6500 298.5063 40.6974 76.1476 558036.8144 7.3471 7.2099 LDB: ============= START OF LOAD BALANCING ============== 5549.81 LDB: ============== END OF LOAD BALANCING =============== 5549.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5549.81 LDB: ============= START OF LOAD BALANCING ============== 5550.11 LDB: Largest compute 4847 load 0.023748 is 20.1% of average load 0.118056 LDB: Average compute 0.001734 is 1.5% of average load 0.118056 LDB: TIME 5550.11 LOAD: AVG 0.118056 MAX 0.200091 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.418 MB LDB: TIME 5550.11 LOAD: AVG 0.118056 MAX 0.200091 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.418 MB LDB: TIME 5550.11 LOAD: AVG 0.118056 MAX 0.200091 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.418 MB LDB: ============== END OF LOAD BALANCING =============== 5550.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5550.12 PRESSURE: 1864400 -120.965 -36.5179 -74.7009 -36.5186 -162.083 -141.182 -74.7012 -141.182 -79.1413 GPRESSURE: 1864400 -156.745 -57.3704 -84.9948 -17.3116 -103.666 -135.626 -84.3477 -137.906 5.896 PRESSAVG: 1864400 -18.0814 43.5893 -46.6384 43.5893 -82.528 45.1197 -46.6383 45.1198 102.694 GPRESSAVG: 1864400 -17.3599 44.0805 -47.4033 42.9777 -81.822 44.2517 -48.0388 45.2251 101.398 TIMING: 1864400 CPU: 5546.99, 0.00302717/step Wall: 5546.99, 0.00302717/step, 2.63666 hours remaining, 207.484375 MB of memory in use. ENERGY: 1864400 791.2564 2081.8627 1916.1421 121.0001 -206609.6431 17956.4301 0.0000 0.0000 34308.2236 -149434.7281 299.6222 -183742.9517 -149337.4119 298.8696 -120.7297 -84.8383 557960.9526 0.6950 0.7388 PRESSURE: 1864600 73.9322 -107.856 23.5184 -107.856 247.95 33.7532 23.5191 33.7528 231.126 GPRESSURE: 1864600 104.127 -121.391 43.208 -182.167 260.853 101.922 -66.0776 56.6003 295.221 PRESSAVG: 1864600 -53.6677 36.6414 24.9778 36.6415 17.3911 7.70526 24.9778 7.70519 20.2353 GPRESSAVG: 1864600 -54.33 34.4267 26.8903 35.6284 17.2237 5.68609 24.2428 10.1225 20.9304 TIMING: 1864600 CPU: 5547.58, 0.00298377/step Wall: 5547.58, 0.00298377/step, 2.59869 hours remaining, 207.484375 MB of memory in use. ENERGY: 1864600 718.1097 2124.1072 1944.1492 112.9366 -206697.6789 18149.9163 0.0000 0.0000 34126.3336 -149522.1261 298.0338 -183648.4598 -149429.9253 299.2235 184.3361 220.0671 556993.3191 -5.3471 -5.3920 PRESSURE: 1864800 -155.755 -2.37721 -43.692 -2.37769 138.712 28.452 -43.6925 28.4511 57.5471 GPRESSURE: 1864800 -73.0524 14.6066 -46.6749 -1.77616 175.29 58.0573 -95.1189 54.5876 38.0114 PRESSAVG: 1864800 -43.9644 10.1355 3.55448 10.1356 56.9185 18.8427 3.55452 18.8426 44.48 GPRESSAVG: 1864800 -44.0275 12.2966 4.29576 11.9333 56.3394 22.288 4.51771 15.5926 44.9946 TIMING: 1864800 CPU: 5548.18, 0.00296164/step Wall: 5548.18, 0.00296164/step, 2.57926 hours remaining, 207.484375 MB of memory in use. ENERGY: 1864800 736.9669 2038.3286 1951.1164 106.8151 -206413.5077 17817.3473 0.0000 0.0000 34154.8772 -149608.0561 298.2830 -183762.9333 -149509.4109 298.4353 13.5013 46.7498 556592.5975 19.1447 19.1021 PRESSURE: 1865000 -37.7275 82.4512 -28.1422 82.4507 35.615 22.3026 -28.1417 22.3027 -83.3003 GPRESSURE: 1865000 24.2906 123.188 12.661 -17.398 -15.2457 80.5873 -27.2721 -33.9397 -4.08591 PRESSAVG: 1865000 -62.8799 26.8092 41.8798 26.8092 -17.699 50.1723 41.8798 50.1723 45.9744 GPRESSAVG: 1865000 -63.642 26.7408 39.9009 25.764 -18.0363 47.8644 43.2128 52.1579 47.0158 TIMING: 1865000 CPU: 5548.77, 0.00298496/step Wall: 5548.77, 0.00298496/step, 2.5994 hours remaining, 207.484375 MB of memory in use. ENERGY: 1865000 783.6817 2033.9417 1955.0599 109.4434 -206494.3097 18008.4484 0.0000 0.0000 34290.0510 -149313.6834 299.4635 -183603.7345 -149214.6368 298.1742 -28.4709 1.6530 558155.3004 -11.5349 -11.5542 PRESSURE: 1865200 107.511 -142.151 152.592 -142.152 236.704 11.4794 152.592 11.4792 183.374 GPRESSURE: 1865200 171.635 -121.881 127.623 -75.2462 254.729 66.1768 129.108 -10.6166 204.96 PRESSAVG: 1865200 18.1129 40.6631 51.8114 40.6632 24.9399 55.859 51.8113 55.8591 -7.50268 GPRESSAVG: 1865200 18.2148 40.8754 51.4794 41.7288 25.6827 55.5682 50.09 57.0906 -8.68498 TIMING: 1865200 CPU: 5549.37, 0.00299068/step Wall: 5549.37, 0.00299068/step, 2.60422 hours remaining, 207.484375 MB of memory in use. ENERGY: 1865200 728.2172 2112.2956 1950.6336 110.2677 -206703.9624 18155.2847 0.0000 0.0000 34297.1089 -149350.1546 299.5252 -183647.2635 -149256.2484 298.7240 175.8626 210.4413 556637.7446 11.8500 11.7375 PRESSURE: 1865400 -66.167 55.4115 79.8106 55.4116 8.34852 -76.1471 79.8122 -76.1483 13.5061 GPRESSURE: 1865400 20.1376 128.497 83.6474 7.47329 36.6537 -51.4181 46.1927 23.9527 4.42142 PRESSAVG: 1865400 -41.8097 -1.56314 -36.813 -1.56315 32.7493 44.5832 -36.813 44.5833 -5.21537 GPRESSAVG: 1865400 -41.9145 -2.44769 -36.4334 -0.136234 32.8394 44.7495 -37.3598 42.1018 -5.30783 TIMING: 1865400 CPU: 5549.96, 0.00296101/step Wall: 5549.96, 0.00296101/step, 2.57821 hours remaining, 207.484375 MB of memory in use. ENERGY: 1865400 770.0835 2128.8954 1950.2690 111.8873 -206353.6425 17986.1509 0.0000 0.0000 34116.7433 -149289.6133 297.9500 -183406.3565 -149192.7053 299.2403 -14.7708 20.4042 558818.0323 -4.7586 -4.7943 PRESSURE: 1865600 31.5929 31.1304 -109.888 31.1314 -188.329 64.718 -109.889 64.7208 -117.311 GPRESSURE: 1865600 71.1503 0.229472 -145.251 118.998 -167.369 14.1167 -91.2175 70.9685 -73.9872 PRESSAVG: 1865600 9.76285 6.00982 -29.3167 6.00983 75.729 -3.50266 -29.3167 -3.50257 -46.0282 GPRESSAVG: 1865600 10.9241 3.59852 -27.0864 5.26299 75.5154 -3.98564 -27.1954 -2.01309 -46.6751 TIMING: 1865600 CPU: 5550.56, 0.00295904/step Wall: 5550.56, 0.00295904/step, 2.57634 hours remaining, 207.484375 MB of memory in use. ENERGY: 1865600 775.3671 2021.1909 1929.3615 130.7255 -205995.1963 17740.8671 0.0000 0.0000 33913.0949 -149484.5892 296.1715 -183397.6841 -149385.4585 298.6266 -91.3490 -56.7354 558212.4217 13.1545 13.2548 PRESSURE: 1865800 -254.339 20.9117 114.381 20.9116 -167.907 -88.7154 114.381 -88.7162 -119.99 GPRESSURE: 1865800 -232.542 15.8548 104.408 61.7446 -156.152 -39.8458 46.7885 -75.417 -72.6368 PRESSAVG: 1865800 23.4311 -23.0843 -29.7327 -23.0844 -22.3421 35.8207 -29.7325 35.8208 -31.2176 GPRESSAVG: 1865800 22.7704 -20.0388 -30.3215 -25.5213 -23.6273 37.9533 -29.9456 35.1378 -30.2404 TIMING: 1865800 CPU: 5551.15, 0.0029688/step Wall: 5551.15, 0.0029688/step, 2.58467 hours remaining, 207.484375 MB of memory in use. ENERGY: 1865800 735.4940 2114.4574 1929.2470 114.2237 -206071.2945 17654.8369 0.0000 0.0000 34075.9422 -149447.0935 297.5937 -183523.0357 -149349.6907 298.9054 -180.7455 -153.7771 558733.5551 -10.0428 -10.3658 PRESSURE: 1866000 85.6608 32.9633 -87.2088 32.9641 2.35005 128.34 -87.2085 128.34 82.7307 GPRESSURE: 1866000 149.899 68.134 -133.451 16.1561 67.6175 97.9178 -71.8328 214.313 38.6638 PRESSAVG: 1866000 -36.1569 70.0292 21.3148 70.0293 38.1192 94.6107 21.3147 94.6107 52.6905 GPRESSAVG: 1866000 -37.272 70.8156 21.0628 70.1315 39.1152 91.8826 22.5359 94.8161 52.4323 TIMING: 1866000 CPU: 5551.74, 0.00296973/step Wall: 5551.74, 0.00296973/step, 2.58532 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: 1866000 761.4335 2056.4342 1919.3782 105.1030 -206449.0815 18025.7956 0.0000 0.0000 34117.3879 -149463.5491 297.9556 -183580.9370 -149362.9086 298.5490 56.9139 85.3934 558372.9737 18.2176 18.0919 PRESSURE: 1866200 -29.904 46.8551 -183.444 46.8541 -352.628 28.2871 -183.442 28.2869 163.741 GPRESSURE: 1866200 54.691 68.6823 -193.147 101.179 -326.453 66.5974 -126.49 27.0987 148.973 PRESSAVG: 1866200 -65.3099 67.0398 30.4497 67.0398 -9.89478 32.0065 30.4497 32.0065 62.8576 GPRESSAVG: 1866200 -64.8973 64.9037 29.8216 71.0382 -9.27368 31.0381 31.1427 32.7184 61.9586 TIMING: 1866200 CPU: 5552.34, 0.00296553/step Wall: 5552.34, 0.00296553/step, 2.58149 hours remaining, 207.484375 MB of memory in use. ENERGY: 1866200 747.6241 2063.1219 1919.9153 108.4690 -206370.7054 17851.5682 0.0000 0.0000 34232.3845 -149447.6224 298.9599 -183680.0069 -149348.7140 298.0425 -72.9303 -40.9296 558981.0670 -4.1157 -4.0708 PRESSURE: 1866400 85.9082 -51.7866 -45.0946 -51.7859 194.94 52.8398 -45.0955 52.84 138.749 GPRESSURE: 1866400 132.636 -48.9033 11.4236 -58.5419 211.87 71.1406 -129.97 5.63174 175.56 PRESSAVG: 1866400 -31.1433 -32.7575 -35.3651 -32.7575 -19.8008 63.417 -35.3651 63.417 56.3217 GPRESSAVG: 1866400 -30.6058 -31.1514 -33.6742 -35.3188 -21.6872 66.8129 -38.1944 61.0794 57.47 TIMING: 1866400 CPU: 5552.93, 0.00296797/step Wall: 5552.93, 0.00296797/step, 2.58345 hours remaining, 207.484375 MB of memory in use. ENERGY: 1866400 723.0358 2076.2298 1941.0079 113.8053 -206626.1154 18028.8308 0.0000 0.0000 34293.5901 -149449.6157 299.4945 -183743.2057 -149351.5628 298.7016 139.8658 173.3552 558598.1109 1.7925 1.7257 PRESSURE: 1866600 -184.965 -51.1909 149.125 -51.1915 54.0097 140.729 149.125 140.73 121.034 GPRESSURE: 1866600 -104.451 -11.2491 152.237 -135.159 38.8096 141.706 138.228 119.994 153.528 PRESSAVG: 1866600 13.5214 11.5488 17.0501 11.5488 -73.0449 -4.71938 17.0501 -4.71944 32.3336 GPRESSAVG: 1866600 14.8559 11.7986 15.973 11.1976 -71.9695 -6.71699 18.3607 -3.71765 30.4081 TIMING: 1866600 CPU: 5553.53, 0.00299698/step Wall: 5553.53, 0.00299698/step, 2.60854 hours remaining, 207.484375 MB of memory in use. ENERGY: 1866600 748.9778 2070.1464 1924.1920 122.0963 -206586.6802 18130.3075 0.0000 0.0000 34190.3280 -149400.6323 298.5926 -183590.9602 -149308.5325 298.7099 -3.3069 29.2956 558866.6804 -9.0633 -8.9019 PRESSURE: 1866800 -135.592 80.3393 16.5593 80.3392 -25.7263 -90.3909 16.5583 -90.3899 -214.713 GPRESSURE: 1866800 -84.7513 73.9484 -31.4227 129.199 22.4105 -48.6231 -9.4781 -49.8468 -207.726 PRESSAVG: 1866800 -23.0067 16.4517 12.148 16.4517 -25.75 24.4146 12.148 24.4146 7.96601 GPRESSAVG: 1866800 -24.1959 15.5194 11.6734 16.0896 -26.1796 22.4618 11.2568 25.5739 9.50734 TIMING: 1866800 CPU: 5554.12, 0.00298017/step Wall: 5554.12, 0.00298017/step, 2.59374 hours remaining, 207.484375 MB of memory in use. ENERGY: 1866800 761.8600 2035.2145 1945.3014 128.5103 -206469.0015 17831.1820 0.0000 0.0000 34334.6090 -149432.3243 299.8527 -183766.9333 -149334.1375 298.4420 -125.3439 -90.0224 557721.2649 -13.5969 -13.6227 PRESSURE: 1867000 -365.53 251.285 20.3046 251.284 -301.192 252.129 20.3036 252.129 -110.433 GPRESSURE: 1867000 -326.072 128.385 71.0586 278.371 -249.344 249.976 53.841 170.689 -102.253 PRESSAVG: 1867000 -12.1495 -14.1977 3.23043 -14.1977 69.5614 -14.2113 3.23047 -14.2113 -34.1056 GPRESSAVG: 1867000 -12.8901 -14.0702 3.84644 -13.9521 70.9837 -14.0875 3.80663 -15.2227 -34.1221 TIMING: 1867000 CPU: 5554.72, 0.00298188/step Wall: 5554.72, 0.00298188/step, 2.59506 hours remaining, 207.484375 MB of memory in use. ENERGY: 1867000 791.6985 2068.4666 1943.5319 110.3532 -206117.2054 17712.9548 0.0000 0.0000 34072.2514 -149417.9490 297.5614 -183490.2004 -149326.6520 298.8550 -259.0519 -225.8899 557957.6170 7.7688 7.9905 PRESSURE: 1867200 137.307 79.7936 -134.211 79.7943 105.3 111.72 -134.21 111.721 273.587 GPRESSURE: 1867200 188.315 85.1954 -86.3523 66.4603 112.95 160.718 -136.486 42.3744 309.812 PRESSAVG: 1867200 -59.454 -54.7277 -26.9968 -54.7277 -11.9107 -7.72593 -26.9967 -7.72597 27.8634 GPRESSAVG: 1867200 -59.4977 -55.1724 -27.7364 -55.1439 -12.4571 -5.07582 -26.1101 -6.53374 28.4462 TIMING: 1867200 CPU: 5555.32, 0.00298401/step Wall: 5555.32, 0.00298401/step, 2.59675 hours remaining, 207.484375 MB of memory in use. ENERGY: 1867200 712.7118 2080.9105 1970.7616 113.6466 -206714.8175 18116.3095 0.0000 0.0000 34264.6133 -149455.8641 299.2414 -183720.4774 -149357.0216 298.5124 172.0647 203.6921 557686.0302 -14.5004 -14.5029 PRESSURE: 1867400 -148.052 26.873 -135.975 26.8747 32.3121 -31.0578 -135.976 -31.0567 -169.462 GPRESSURE: 1867400 -137.935 -61.6437 -113.819 57.9341 109.074 -6.82438 -193.514 -67.8327 -156.576 PRESSAVG: 1867400 46.067 -29.6953 -9.84512 -29.6952 68.07 1.277 -9.84512 1.27711 -67.0092 GPRESSAVG: 1867400 47.4502 -30.1634 -10.0259 -27.6142 67.1514 0.909537 -8.51694 0.113748 -67.4092 TIMING: 1867400 CPU: 5555.92, 0.00298804/step Wall: 5555.92, 0.00298804/step, 2.60009 hours remaining, 207.484375 MB of memory in use. ENERGY: 1867400 750.4739 2125.6828 1929.8347 107.4347 -206109.1132 17779.5993 0.0000 0.0000 33870.7189 -149545.3690 295.8014 -183416.0879 -149447.4137 298.3360 -95.0672 -61.8124 558242.8571 15.7093 15.7308 PRESSURE: 1867600 -29.5451 -125.782 32.3635 -125.783 -89.2004 135.781 32.364 135.782 69.1867 GPRESSURE: 1867600 -7.12494 -150.878 31.2977 -58.3967 -46.693 137.07 53.6054 121.177 111.998 PRESSAVG: 1867600 -6.56044 2.15067 11.2115 2.15061 60.502 14.6594 11.2115 14.6593 -18.9245 GPRESSAVG: 1867600 -8.1248 4.42589 10.9899 0.514316 61.8266 15.1358 9.58019 14.8673 -19.2258 TIMING: 1867600 CPU: 5556.51, 0.00294931/step Wall: 5556.51, 0.00294931/step, 2.56623 hours remaining, 207.484375 MB of memory in use. ENERGY: 1867600 752.0565 2150.1149 1942.7060 103.6437 -206557.3142 17991.6837 0.0000 0.0000 34198.9922 -149418.1173 298.6683 -183617.1095 -149322.5056 298.3193 -16.5196 19.3932 558208.3033 11.6723 11.4920 PRESSURE: 1867800 -112.836 -121.037 -28.8826 -121.037 -110.445 -54.7603 -28.882 -54.76 186.384 GPRESSURE: 1867800 -103.516 -204.463 -57.5648 -88.0255 -94.6504 -101.201 -67.4778 83.4263 249.486 PRESSAVG: 1867800 17.7468 -37.6358 52.1275 -37.6358 -47.7639 21.7198 52.1275 21.7199 52.1136 GPRESSAVG: 1867800 17.9594 -37.9524 54.8171 -37.962 -47.9662 21.3597 51.317 21.6163 52.1021 TIMING: 1867800 CPU: 5557.1, 0.00298695/step Wall: 5557.1, 0.00298695/step, 2.59881 hours remaining, 207.484375 MB of memory in use. ENERGY: 1867800 752.5586 2104.7589 1931.9884 113.3869 -206712.3047 18086.8186 0.0000 0.0000 34266.9172 -149455.8761 299.2615 -183722.7932 -149362.2191 299.1493 -12.2990 17.1065 558928.1945 7.3655 7.3651 PRESSURE: 1868000 99.8418 143.413 25.3467 143.412 73.8782 -71.7525 25.3479 -71.7524 205.202 GPRESSURE: 1868000 164.039 174.765 -3.58286 57.4961 119.369 -63.7363 58.7986 -104.42 187.945 PRESSAVG: 1868000 -15.2953 9.15891 30.0755 9.15875 -6.26289 -16.3519 30.0756 -16.352 13.5396 GPRESSAVG: 1868000 -16.4093 7.93491 28.7228 11.3453 -6.48183 -16.2056 31.5942 -14.5171 15.0053 TIMING: 1868000 CPU: 5557.7, 0.0029617/step Wall: 5557.7, 0.00296171/step, 2.57668 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: 1868000 770.6898 2058.8704 1954.2395 115.4164 -206409.2838 17938.3932 0.0000 0.0000 34275.2972 -149296.3774 299.3347 -183571.6746 -149199.9406 299.2542 126.3074 157.1177 557212.3883 -2.6729 -2.6286 PRESSURE: 1868200 -147.457 24.843 74.7583 24.8429 -113.627 269.097 74.7585 269.097 -34.5882 GPRESSURE: 1868200 -58.5103 24.4379 113.457 39.5873 -51.4257 271.882 58.7959 204.39 -76.9544 PRESSAVG: 1868200 -24.1703 5.51682 31.4071 5.51674 10.082 31.9246 31.407 31.9246 66.0513 GPRESSAVG: 1868200 -22.2385 5.90759 32.2285 5.00535 9.59421 31.9861 29.8119 30.948 64.6838 TIMING: 1868200 CPU: 5558.29, 0.00296221/step Wall: 5558.29, 0.00296221/step, 2.57696 hours remaining, 207.484375 MB of memory in use. ENERGY: 1868200 742.9345 2018.8962 1923.6700 107.7227 -205952.1283 17659.8827 0.0000 0.0000 34306.5312 -149192.4910 299.6075 -183499.0222 -149099.8433 299.4329 -98.5572 -62.2968 558371.7144 17.3210 17.3465 LDB: ============= START OF LOAD BALANCING ============== 5561.72 LDB: ============== END OF LOAD BALANCING =============== 5561.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5561.72 LDB: ============= START OF LOAD BALANCING ============== 5562.01 LDB: Largest compute 4847 load 0.024125 is 20.4% of average load 0.118000 LDB: Average compute 0.001725 is 1.5% of average load 0.118000 LDB: TIME 5562.02 LOAD: AVG 0.118 MAX 0.201458 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.918 MB LDB: TIME 5562.02 LOAD: AVG 0.118 MAX 0.201458 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 5562.02 LOAD: AVG 0.118 MAX 0.201458 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5562.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5562.02 PRESSURE: 1868400 261.757 178.933 -21.2306 178.932 -335.448 210.777 -21.2287 210.781 -126.286 GPRESSURE: 1868400 306.339 127.355 8.80307 112.953 -402.977 223.917 -41.5708 242.552 3.04824 PRESSAVG: 1868400 6.71901 -20.4692 -13.8708 -20.4692 -74.243 40.6616 -13.8707 40.6616 46.3305 GPRESSAVG: 1868400 5.3981 -22.9438 -14.0571 -19.4704 -73.1242 39.7555 -13.0708 40.9232 46.5005 TIMING: 1868400 CPU: 5558.89, 0.00303154/step Wall: 5558.89, 0.00303154/step, 2.6371 hours remaining, 206.710938 MB of memory in use. ENERGY: 1868400 769.0965 2107.7203 1912.2585 95.6571 -206290.8503 17767.9123 0.0000 0.0000 34217.9165 -149420.2891 298.8336 -183638.2056 -149328.1190 299.0702 -66.6589 -31.1968 557659.5536 -7.0645 -7.0752 PRESSURE: 1868600 97.8072 77.0162 -98.7249 77.0155 149.292 84.9269 -98.7245 84.9266 -2.86864 GPRESSURE: 1868600 137.607 97.5132 -118.356 105.601 151.805 69.7953 -189.639 68.8268 46.928 PRESSAVG: 1868600 -10.3834 -12.9999 -20.9481 -12.9998 -55.8916 2.6922 -20.9481 2.69236 85.6667 GPRESSAVG: 1868600 -11.2889 -9.06989 -21.7137 -15.2792 -55.2184 4.41292 -20.1992 2.9316 85.7692 TIMING: 1868600 CPU: 5559.49, 0.00297488/step Wall: 5559.49, 0.00297488/step, 2.58765 hours remaining, 206.710938 MB of memory in use. ENERGY: 1868600 748.8344 2095.1217 1923.4218 123.7773 -206371.2603 17986.4888 0.0000 0.0000 34183.9099 -149309.7063 298.5366 -183493.6162 -149210.3134 299.1537 81.4103 112.1135 556593.3359 6.4639 6.4206 PRESSURE: 1868800 -24.6047 -154.443 14.5676 -154.444 -153.176 150.875 14.5667 150.873 -380.869 GPRESSURE: 1868800 18.0291 -180.842 30.1552 -77.0017 -130.137 185.486 -41.3671 150.015 -330.659 PRESSAVG: 1868800 53.1898 -34.3897 -38.0854 -34.3897 -8.14064 -2.70405 -38.0855 -2.70412 -36.2322 GPRESSAVG: 1868800 55.7683 -35.1443 -38.1971 -34.1809 -10.2045 -3.39594 -37.3954 -1.85309 -36.454 TIMING: 1868800 CPU: 5560.08, 0.00296211/step Wall: 5560.08, 0.00296211/step, 2.57638 hours remaining, 206.710938 MB of memory in use. ENERGY: 1868800 750.1490 2107.2708 1937.7032 103.2900 -205997.6492 17584.4349 0.0000 0.0000 34268.9635 -149245.8379 299.2794 -183514.8013 -149156.4905 299.2220 -186.2164 -147.5889 557791.8350 2.9390 3.0366 PRESSURE: 1869000 146.98 -68.6616 -156.67 -68.6608 -66.4283 -152.648 -156.67 -152.647 -74.0097 GPRESSURE: 1869000 179.16 -122.223 -181.927 -106.115 -64.6414 -188.485 -151.55 -122.511 -18.2558 PRESSAVG: 1869000 65.7197 -31.3736 -53.5071 -31.3736 -0.99464 -33.0372 -53.5071 -33.0371 -46.944 GPRESSAVG: 1869000 64.4686 -32.1502 -53.147 -30.6506 -0.310668 -32.1198 -53.9145 -36.4508 -46.8007 TIMING: 1869000 CPU: 5560.67, 0.00295323/step Wall: 5560.67, 0.00295323/step, 2.56849 hours remaining, 206.710938 MB of memory in use. ENERGY: 1869000 754.8563 2116.4182 1946.4069 107.4217 -206320.1455 17890.3861 0.0000 0.0000 34274.2941 -149230.3622 299.3259 -183504.6563 -149133.1663 298.9382 2.1806 32.0875 557431.3197 5.9270 5.7857 PRESSURE: 1869200 -46.9918 177.471 -36.7637 177.47 56.8757 -81.3386 -36.7657 -81.339 216.294 GPRESSURE: 1869200 4.2679 206.44 -8.51681 194.798 43.7414 -63.7956 -74.6168 -105.698 264.141 PRESSAVG: 1869200 -29.881 38.3921 -2.46467 38.3921 -90.6452 -2.89052 -2.46464 -2.89052 108.224 GPRESSAVG: 1869200 -30.5193 38.2119 -2.35662 38.5193 -89.8673 -3.22537 -3.83747 -1.97748 108.236 TIMING: 1869200 CPU: 5561.26, 0.00294716/step Wall: 5561.26, 0.00294716/step, 2.56305 hours remaining, 206.710938 MB of memory in use. ENERGY: 1869200 732.3960 2076.5483 1933.2616 105.9747 -205834.5425 17621.1814 0.0000 0.0000 34183.9467 -149181.2338 298.5369 -183365.1804 -149089.8033 299.3010 75.3925 104.0500 556209.3914 -4.1006 -4.0503 PRESSURE: 1869400 -118.599 26.451 -10.3074 26.4495 77.6705 -14.8332 -10.3071 -14.8334 -232.253 GPRESSURE: 1869400 -57.3368 35.075 18.8206 62.8622 125.671 42.9041 24.139 -7.64158 -250.362 PRESSAVG: 1869400 -31.9461 5.38622 0.713103 5.38619 6.17639 -7.50458 0.713056 -7.50461 47.8933 GPRESSAVG: 1869400 -30.778 6.25685 2.05395 4.38141 5.29709 -9.73435 0.249884 -4.81555 48.0174 TIMING: 1869400 CPU: 5561.85, 0.0029629/step Wall: 5561.85, 0.0029629/step, 2.57657 hours remaining, 206.710938 MB of memory in use. ENERGY: 1869400 731.8911 2050.1198 1925.9215 114.6025 -205779.1764 17572.6442 0.0000 0.0000 34187.9611 -149196.0361 298.5720 -183383.9972 -149099.9066 298.4563 -91.0604 -60.6761 558394.6438 7.3745 7.5122 PRESSURE: 1869600 -49.8183 -20.5876 -99.2647 -20.5875 112.293 122.83 -99.2641 122.831 78.8309 GPRESSURE: 1869600 0.88598 -63.2476 -118.165 22.5785 132.332 130.526 -128.918 137.074 90.0184 PRESSAVG: 1869600 -5.87563 12.2914 -4.51637 12.2915 30.8951 -41.7818 -4.51639 -41.7817 -37.6883 GPRESSAVG: 1869600 -5.81792 12.6304 -7.30318 12.0025 31.0587 -40.8975 -3.80438 -43.1155 -37.9479 TIMING: 1869600 CPU: 5562.44, 0.00295138/step Wall: 5562.44, 0.00295138/step, 2.56639 hours remaining, 206.710938 MB of memory in use. ENERGY: 1869600 768.0827 2071.9517 1932.2525 104.0660 -206502.0956 18092.8080 0.0000 0.0000 34317.2112 -149215.7234 299.7007 -183532.9346 -149125.0451 299.1335 47.1017 74.4121 559237.1693 -4.2229 -4.2357 PRESSURE: 1869800 209.18 73.404 22.7437 73.4042 12.2751 -20.6955 22.7439 -20.6953 109.821 GPRESSURE: 1869800 237.456 122.685 -6.54072 -4.62297 70.6553 -3.43626 -4.22993 2.70079 122.902 PRESSAVG: 1869800 10.931 11.8168 13.5978 11.8168 32.2608 -19.6993 13.5979 -19.6993 -39.7329 GPRESSAVG: 1869800 8.90103 10.3878 13.7617 14.0792 32.4354 -18.5385 14.2038 -19.2793 -37.9865 TIMING: 1869800 CPU: 5563.04, 0.00297508/step Wall: 5563.04, 0.00297508/step, 2.58684 hours remaining, 206.710938 MB of memory in use. ENERGY: 1869800 740.3380 2063.0899 1925.6807 114.5087 -206336.7613 18023.8912 0.0000 0.0000 34266.2908 -149202.9620 299.2560 -183469.2528 -149106.9214 298.7379 110.4254 143.6712 558718.5051 1.1530 1.1167 PRESSURE: 1870000 -92.2804 -41.1597 -21.7885 -41.1602 -240.168 -105.336 -21.7884 -105.336 144.193 GPRESSURE: 1870000 -117.167 -42.3374 -59.4093 -53.8125 -180.799 -32.9051 -60.7962 -116.473 206.098 PRESSAVG: 1870000 11.888 13.4992 -20.1757 13.4992 -38.5314 23.8394 -20.1756 23.8394 -12.2333 GPRESSAVG: 1870000 13.4773 12.6746 -19.4119 12.9154 -39.3548 23.4458 -20.8452 22.4271 -12.6805 TIMING: 1870000 CPU: 5563.63, 0.00295997/step Wall: 5563.63, 0.00295997/step, 2.57353 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: 1870000 728.2780 2147.8820 1917.3729 109.8454 -206013.9798 17626.8465 0.0000 0.0000 34143.6458 -149340.1090 298.1850 -183483.7549 -149245.3804 298.8245 -62.7516 -30.6226 558190.9973 -12.9589 -12.8527 PRESSURE: 1870200 214.012 41.1092 181.001 41.1093 92.6545 -82.7516 181 -82.7527 81.3683 GPRESSURE: 1870200 252.818 52.3847 192.413 33.5487 125.767 -136.113 151.914 -19.5714 107.857 PRESSAVG: 1870200 46.2547 11.5053 76.6648 11.5053 16.2402 -54.9471 76.6649 -54.947 -32.6485 GPRESSAVG: 1870200 46.0357 12.5902 78.3911 10.3994 16.6449 -54.5494 77.0627 -51.6101 -32.4404 TIMING: 1870200 CPU: 5564.22, 0.00295785/step Wall: 5564.22, 0.00295785/step, 2.57152 hours remaining, 206.710938 MB of memory in use. ENERGY: 1870200 766.2206 2110.1994 1945.1453 119.9630 -206734.8031 18153.3820 0.0000 0.0000 34296.2865 -149343.6064 299.5180 -183639.8928 -149247.2810 298.7867 129.3449 162.1475 556336.0539 9.9488 10.0801 PRESSURE: 1870400 88.7892 165.396 -128.966 165.395 -84.8088 16.184 -128.966 16.1867 11.0635 GPRESSURE: 1870400 11.2782 64.8385 -151.896 145.987 17.3156 118.808 -55.6644 15.9739 78.7293 PRESSAVG: 1870400 2.31165 -0.941114 41.7326 -0.941136 63.8209 23.2354 41.7326 23.2354 -38.6907 GPRESSAVG: 1870400 2.39003 -1.18946 39.7902 -0.811023 64.8302 23.1059 42.8657 22.0098 -39.1957 TIMING: 1870400 CPU: 5564.82, 0.0029649/step Wall: 5564.82, 0.0029649/step, 2.57748 hours remaining, 206.710938 MB of memory in use. ENERGY: 1870400 756.0467 2053.5500 1942.6665 112.7536 -206241.1440 17766.4709 0.0000 0.0000 34346.1720 -149263.4843 299.9537 -183609.6563 -149157.7305 299.4080 5.0146 35.7744 557175.4562 9.1473 9.3415 PRESSURE: 1870600 -10.4128 -112.658 26.1707 -112.659 -37.0037 -31.9339 26.1697 -31.934 -151.811 GPRESSURE: 1870600 82.692 -141.28 205.031 -108.749 12.9416 -150.348 -36.9519 138.08 -190.699 PRESSAVG: 1870600 -30.4188 -19.225 -54.1195 -19.225 10.722 -0.899219 -54.1194 -0.89921 -25.1192 GPRESSAVG: 1870600 -30.2933 -17.0596 -51.2951 -21.0824 10.904 -2.00168 -56.3426 -0.189262 -25.7227 TIMING: 1870600 CPU: 5565.41, 0.00297966/step Wall: 5565.41, 0.00297966/step, 2.59015 hours remaining, 206.710938 MB of memory in use. ENERGY: 1870600 789.1785 2120.3345 1948.2954 113.4914 -206572.4212 17940.1869 0.0000 0.0000 34412.7250 -149248.2096 300.5349 -183660.9346 -149150.8203 299.1289 -66.4092 -31.6884 558407.1450 -14.9387 -15.0373 PRESSURE: 1870800 -290.86 -96.4063 -58.2394 -96.4063 113.657 -210.402 -58.2391 -210.402 33.3482 GPRESSURE: 1870800 -293.008 -131.958 20.7996 -14.0739 152.838 -130.008 -70.1948 -140.333 97.3139 PRESSAVG: 1870800 -56.1005 -34.5313 -20.4926 -34.5312 78.1942 12.6026 -20.4925 12.6027 16.6049 GPRESSAVG: 1870800 -55.1572 -34.9889 -21.0795 -33.626 76.0739 11.7551 -21.2395 13.1485 17.5102 TIMING: 1870800 CPU: 5566.01, 0.00298336/step Wall: 5566.01, 0.00298336/step, 2.59321 hours remaining, 206.710938 MB of memory in use. ENERGY: 1870800 765.0066 2143.8447 1935.2320 108.1368 -205890.4514 17651.1011 0.0000 0.0000 34096.2923 -149190.8379 297.7714 -183287.1302 -149093.6864 299.5403 -47.9515 -14.2854 557807.8497 12.8996 12.8090 PRESSURE: 1871000 -237.758 -86.0966 251.245 -86.0965 9.45156 57.3699 251.245 57.3681 230.924 GPRESSURE: 1871000 -215.817 -129.87 208.905 -119.589 59.4138 25.3791 308.04 110.05 252.864 PRESSAVG: 1871000 -61.3898 1.00576 30.5312 1.00579 31.3427 6.90125 30.5312 6.90125 10.7422 GPRESSAVG: 1871000 -61.0658 -0.0948237 30.0416 -0.358373 32.4066 4.4644 31.7692 6.26631 9.66712 TIMING: 1871000 CPU: 5566.6, 0.00295879/step Wall: 5566.6, 0.00295879/step, 2.57168 hours remaining, 206.710938 MB of memory in use. ENERGY: 1871000 771.7666 2151.5343 1937.2438 106.5850 -206220.9738 17730.0667 0.0000 0.0000 34388.5409 -149135.2365 300.3237 -183523.7774 -149029.8892 299.3321 0.8725 32.1537 557283.0771 -6.4350 -6.3307 PRESSURE: 1871200 -146.352 145.701 46.4338 145.701 -92.0622 -40.8101 46.4335 -40.8101 -145.107 GPRESSURE: 1871200 -117.634 77.8281 -69.8505 156.193 -18.2077 -48.8496 191.15 -44.2861 -148.294 PRESSAVG: 1871200 -19.0961 5.00199 37.1769 5.00196 -22.2221 2.33662 37.177 2.33673 47.3569 GPRESSAVG: 1871200 -19.5396 5.73721 36.7002 7.27699 -22.3687 3.22824 37.6685 -0.215734 47.6172 TIMING: 1871200 CPU: 5567.19, 0.00296494/step Wall: 5567.19, 0.00296494/step, 2.57686 hours remaining, 206.710938 MB of memory in use. ENERGY: 1871200 762.3321 2127.7847 1956.5425 115.4414 -206181.6435 17599.9236 0.0000 0.0000 34283.1730 -149336.4462 299.4035 -183619.6192 -149238.7883 299.0895 -127.8405 -94.7117 556094.8700 2.0129 1.9030 PRESSURE: 1871400 83.5747 -25.6515 19.223 -25.6514 252.547 73.1149 19.2227 73.116 143.579 GPRESSURE: 1871400 127.063 8.6082 -16.2661 21.7338 281.582 -21.7769 97.9884 95.1965 171.099 PRESSAVG: 1871400 -20.8382 25.3948 -35.4311 25.3948 42.1673 -32.8618 -35.431 -32.8618 -44.7182 GPRESSAVG: 1871400 -21.3474 25.438 -36.5944 26.3223 42.1077 -31.5931 -35.766 -31.1249 -44.6786 TIMING: 1871400 CPU: 5567.79, 0.00296684/step Wall: 5567.79, 0.00296684/step, 2.57835 hours remaining, 206.710938 MB of memory in use. ENERGY: 1871400 742.1495 2097.2128 1939.5327 111.0840 -206629.5036 18034.5830 0.0000 0.0000 34250.1830 -149454.7586 299.1154 -183704.9416 -149360.3387 299.1018 159.9001 193.2484 556850.3224 -7.7964 -7.9728 PRESSURE: 1871600 186.702 169.997 71.0398 169.995 29.9996 -172.316 71.0393 -172.316 72.7236 GPRESSURE: 1871600 224.117 54.3248 81.0884 354.699 26.2429 -105.745 71.382 -219.203 142.729 PRESSAVG: 1871600 -16.9727 7.4014 30.611 7.40137 10.2903 -6.1 30.611 -6.10008 26.2349 GPRESSAVG: 1871600 -16.6391 7.72435 29.7136 5.20822 9.66884 -5.12802 32.2028 -4.81265 26.0495 TIMING: 1871600 CPU: 5568.39, 0.00301383/step Wall: 5568.39, 0.00301383/step, 2.61902 hours remaining, 206.710938 MB of memory in use. ENERGY: 1871600 776.6120 2081.5456 1946.6877 115.0661 -206654.6601 17935.3962 0.0000 0.0000 34342.8781 -149456.4744 299.9249 -183799.3525 -149368.1125 299.4466 96.4751 131.0295 555590.9152 6.5175 6.3597 PRESSURE: 1871800 97.0042 5.68458 75.2713 5.68459 -121.419 12.3954 75.2712 12.3946 -373.039 GPRESSURE: 1871800 162.192 59.204 69.1213 13.8473 -128.315 9.63774 62.0572 -9.37765 -340.085 PRESSAVG: 1871800 -43.8203 45.4649 26.4006 45.4647 -15.3682 15.7884 26.4005 15.7883 17.8625 GPRESSAVG: 1871800 -43.7401 44.0585 28.8974 46.8308 -15.6085 14.9287 25.3712 14.2717 18.3629 TIMING: 1871800 CPU: 5568.99, 0.00299056/step Wall: 5568.99, 0.00299056/step, 2.59863 hours remaining, 206.710938 MB of memory in use. ENERGY: 1871800 755.9461 2076.2687 1972.3009 112.3244 -206375.9598 17662.3708 0.0000 0.0000 34393.3235 -149403.4253 300.3654 -183796.7488 -149304.5546 299.2693 -132.4844 -102.0693 557555.8056 -13.7753 -13.6619 PRESSURE: 1872000 -2.96008 -101.996 1.76342 -101.996 10.7979 -4.36307 1.76295 -4.362 -34.6776 GPRESSURE: 1872000 69.8375 -181.638 12.2372 -89.4796 93.4592 -48.0779 37.1902 23.2215 -95.161 PRESSAVG: 1872000 22.2404 8.58699 63.0133 8.58694 -41.2265 9.66726 63.0134 9.66728 -0.323824 GPRESSAVG: 1872000 21.3679 8.41543 60.443 8.46479 -40.3372 9.37912 65.37 9.86182 -0.534887 TIMING: 1872000 CPU: 5569.58, 0.00297594/step Wall: 5569.58, 0.00297594/step, 2.58576 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: 1872000 780.8070 2123.6382 1943.2388 96.9138 -206421.8660 17916.7657 0.0000 0.0000 34213.9496 -149346.5529 298.7989 -183560.5026 -149251.4052 299.3334 -8.9466 22.7119 556878.4514 -6.4366 -6.5014 PRESSURE: 1872200 -176.824 -64.8603 38.2548 -64.8598 -9.84073 -69.4853 38.2553 -69.4856 -308.884 GPRESSURE: 1872200 -157.338 -97.1337 82.4995 -25.3651 -34.7562 -130.802 4.41932 -97.187 -213.775 PRESSAVG: 1872200 -1.97073 -13.1253 15.7542 -13.1253 9.01363 34.0515 15.7542 34.0513 -50.2908 GPRESSAVG: 1872200 -1.08478 -13.5974 15.0657 -12.7872 9.32871 35.0706 13.3049 33.6427 -51.05 TIMING: 1872200 CPU: 5570.18, 0.0029687/step Wall: 5570.18, 0.0029687/step, 2.57931 hours remaining, 206.710938 MB of memory in use. ENERGY: 1872200 758.7189 2111.5780 1970.5115 123.6193 -206165.6298 17552.8064 0.0000 0.0000 34353.8422 -149294.5534 300.0206 -183648.3957 -149199.1992 299.1336 -165.1830 -135.2895 556693.7540 -14.4160 -14.2687 LDB: ============= START OF LOAD BALANCING ============== 5573.6 LDB: ============== END OF LOAD BALANCING =============== 5573.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5573.61 LDB: ============= START OF LOAD BALANCING ============== 5573.9 LDB: Largest compute 4847 load 0.023589 is 20.0% of average load 0.118026 LDB: Average compute 0.001721 is 1.5% of average load 0.118026 LDB: TIME 5573.91 LOAD: AVG 0.118026 MAX 0.198551 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.801 MB LDB: TIME 5573.91 LOAD: AVG 0.118026 MAX 0.198551 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.809 MB LDB: TIME 5573.91 LOAD: AVG 0.118026 MAX 0.198551 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5573.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5573.91 PRESSURE: 1872400 36.7191 -112.348 85.1086 -112.348 -35.8168 -152.111 85.109 -152.112 139.846 GPRESSURE: 1872400 16.3168 -95.7534 16.2782 -108.149 9.05292 -58.2138 147.238 -172.578 197.891 PRESSAVG: 1872400 -29.1061 -38.0103 -17.4755 -38.0104 26.9197 -21.3117 -17.4755 -21.3117 52.0946 GPRESSAVG: 1872400 -30.0898 -36.0217 -15.6213 -37.8333 27.0557 -20.2895 -18.3942 -21.5507 52.8348 TIMING: 1872400 CPU: 5570.78, 0.00303612/step Wall: 5570.78, 0.00303612/step, 2.63771 hours remaining, 207.410156 MB of memory in use. ENERGY: 1872400 755.8105 2075.6934 1981.1586 134.2681 -206550.5323 17839.0669 0.0000 0.0000 34401.5481 -149362.9866 300.4373 -183764.5347 -149264.8633 299.9162 46.9160 74.4204 556053.6797 16.6361 16.6003 PRESSURE: 1872600 44.4389 -77.356 -20.89 -77.3551 133.846 51.3837 -20.8912 51.3837 -66.6684 GPRESSURE: 1872600 88.8345 10.9915 17.3305 -61.0812 201.188 56.134 -24.6201 33.1613 -75.132 PRESSAVG: 1872600 16.2103 47.1304 -17.2755 47.1304 -28.8665 -12.4512 -17.2755 -12.4513 28.0741 GPRESSAVG: 1872600 15.835 47.2619 -17.3796 45.8796 -28.909 -14.5266 -15.614 -11.732 28.183 TIMING: 1872600 CPU: 5571.38, 0.00298266/step Wall: 5571.38, 0.00298266/step, 2.5911 hours remaining, 207.722656 MB of memory in use. ENERGY: 1872600 763.0807 2053.4567 1957.5558 109.2422 -206606.9979 18032.7414 0.0000 0.0000 34368.8373 -149322.0839 300.1516 -183690.9211 -149223.0510 299.3943 37.2053 71.6303 557216.8260 5.1393 5.0363 PRESSURE: 1872800 -40.4302 21.7706 90.9649 21.7697 -17.5964 -159.82 90.9648 -159.819 -270.584 GPRESSURE: 1872800 -30.6211 61.0831 114.887 -46.9974 11.1825 -200.955 22.5291 -86.7701 -227.4 PRESSAVG: 1872800 -23.7979 52.9574 27.5849 52.9574 -16.4239 -48.4453 27.5848 -48.4454 28.9801 GPRESSAVG: 1872800 -22.7424 50.9681 27.2562 53.381 -16.8115 -47.5553 27.0995 -47.2431 28.2127 TIMING: 1872800 CPU: 5571.98, 0.00300352/step Wall: 5571.98, 0.00300352/step, 2.60906 hours remaining, 207.722656 MB of memory in use. ENERGY: 1872800 736.2773 2086.9609 1944.1938 109.6259 -205961.5803 17455.8141 0.0000 0.0000 34186.1992 -149442.5090 298.5566 -183628.7082 -149339.4543 298.6785 -109.5370 -82.2795 556809.4035 -3.7472 -3.7804 PRESSURE: 1873000 -21.9301 31.6522 20.6427 31.6529 -222.69 -81.9208 20.6429 -81.9218 -251.55 GPRESSURE: 1873000 60.4539 135.235 115.072 5.85948 -277.717 -39.5244 -45.239 -98.3863 -195.792 PRESSAVG: 1873000 67.2888 -5.06249 21.1 -5.06246 -9.60732 17.3155 21.0999 17.3154 -38.093 GPRESSAVG: 1873000 65.7214 -2.37353 19.7213 -5.73994 -9.18445 17.3133 22.4376 16.5943 -36.7261 TIMING: 1873000 CPU: 5572.58, 0.00297762/step Wall: 5572.58, 0.00297762/step, 2.58639 hours remaining, 207.722656 MB of memory in use. ENERGY: 1873000 723.5748 2092.8515 1972.4635 111.2518 -206140.4635 17591.4306 0.0000 0.0000 34236.2595 -149412.6318 298.9938 -183648.8913 -149315.7101 298.2191 -165.3900 -137.6850 557705.1066 6.5295 6.6036 PRESSURE: 1873200 -85.9352 39.2626 -1.99887 39.2633 -35.6882 102.18 -1.99807 102.181 -154.228 GPRESSURE: 1873200 -49.524 85.8057 69.8598 48.0464 -55.9383 103.612 -24.0111 75.3447 -83.065 PRESSAVG: 1873200 -15.3104 -8.26563 -25.7722 -8.26573 -31.2869 64.175 -25.7722 64.175 66.0115 GPRESSAVG: 1873200 -14.9612 -8.20864 -26.0792 -7.21625 -31.4942 64.5 -26.5079 63.9758 65.5703 TIMING: 1873200 CPU: 5573.17, 0.00296958/step Wall: 5573.17, 0.00296958/step, 2.57925 hours remaining, 207.722656 MB of memory in use. ENERGY: 1873200 746.5012 2105.7899 1951.0027 97.3044 -206103.8255 17765.2692 0.0000 0.0000 34198.0381 -149239.9201 298.6600 -183437.9582 -149139.9631 299.0643 -91.9505 -62.8424 557110.1807 6.4714 6.3716 PRESSURE: 1873400 -123.09 118.969 41.5413 118.969 -42.9556 -199.565 41.5409 -199.564 47.3384 GPRESSURE: 1873400 -129.81 110.075 59.8682 151.253 40.7161 -100.01 130.006 -157.259 52.0027 PRESSAVG: 1873400 25.817 57.8745 -48.0443 57.8745 -56.8723 -16.8038 -48.0444 -16.8038 19.551 GPRESSAVG: 1873400 27.1427 57.2108 -45.5666 58.2565 -56.4223 -15.1671 -48.9619 -16.6608 18.122 TIMING: 1873400 CPU: 5573.76, 0.00296151/step Wall: 5573.76, 0.00296151/step, 2.57207 hours remaining, 207.722656 MB of memory in use. ENERGY: 1873400 737.6676 2154.6092 1936.5927 109.0922 -205971.7127 17739.9498 0.0000 0.0000 34053.4480 -149240.3532 297.3972 -183293.8012 -149141.5956 298.4442 -39.5690 -12.3637 558663.9637 -3.8348 -3.7192 PRESSURE: 1873600 79.129 -62.8901 166.215 -62.8906 -30.3964 -14.0774 166.213 -14.0782 211.096 GPRESSURE: 1873600 128.495 -73.0366 204.122 -85.8093 65.0504 -49.0632 147.192 -35.4422 171.421 PRESSAVG: 1873600 -12.8578 13.0304 22.2348 13.0304 -3.50674 -14.2824 22.2348 -14.2826 -6.37794 GPRESSAVG: 1873600 -12.5894 13.4071 21.836 13.9225 -3.58994 -16.6792 22.5102 -14.1417 -6.83129 TIMING: 1873600 CPU: 5574.36, 0.0029801/step Wall: 5574.36, 0.0029801/step, 2.58805 hours remaining, 207.722656 MB of memory in use. ENERGY: 1873600 725.8606 2117.9913 1935.5832 103.2972 -205728.9520 17677.3922 0.0000 0.0000 34104.3928 -149064.4347 297.8421 -183168.8275 -148970.7565 299.7022 86.6094 121.6555 557550.4801 -7.5808 -7.6702 PRESSURE: 1873800 188.758 182.184 -67.4913 182.184 -84.848 -171.787 -67.4927 -171.788 49.1584 GPRESSURE: 1873800 206.794 174.713 -23.6243 148.161 -15.7763 -136.74 -115.139 -178.65 66.7598 PRESSAVG: 1873800 -32.6201 11.6761 23.3533 11.6761 -15.2505 14.1073 23.3532 14.1072 7.02658 GPRESSAVG: 1873800 -34.3783 10.1402 22.3115 11.4932 -14.5691 15.6574 24.0956 13.5773 8.25866 TIMING: 1873800 CPU: 5574.95, 0.00295165/step Wall: 5574.95, 0.00295165/step, 2.56318 hours remaining, 207.722656 MB of memory in use. ENERGY: 1873800 732.8039 2064.2259 1930.8750 116.5993 -206071.7220 17972.3520 0.0000 0.0000 34315.7441 -148939.1217 299.6879 -183254.8658 -148848.2680 299.5952 51.0229 85.9258 558111.2882 -13.6147 -13.5629 PRESSURE: 1874000 -54.3933 -39.1931 87.5893 -39.1939 252.914 30.024 87.5894 30.0247 -94.4948 GPRESSURE: 1874000 -16.0371 -68.7273 83.5615 6.47195 284.997 -83.7234 96.2605 131.895 -78.6019 PRESSAVG: 1874000 -17.1755 6.17632 8.69625 6.17617 57.7218 13.7006 8.69619 13.7005 -34.1745 GPRESSAVG: 1874000 -17.2478 8.77517 9.20818 5.10795 58.0595 13.0471 8.97177 14.0909 -34.3558 TIMING: 1874000 CPU: 5575.54, 0.00295092/step Wall: 5575.54, 0.00295092/step, 2.56238 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: 1874000 767.3945 2069.4889 1952.5341 124.5494 -205876.1947 17881.4054 0.0000 0.0000 34306.4603 -148774.3621 299.6069 -183080.8224 -148681.2092 299.6619 34.6754 63.4528 558029.8299 2.1239 2.1520 PRESSURE: 1874200 -201.529 202.11 -129.28 202.11 60.405 189.104 -129.28 189.104 -265.963 GPRESSURE: 1874200 -146.21 217.786 -123.932 142.541 68.0881 158.042 -118.952 159.797 -240.112 PRESSAVG: 1874200 -61.1264 40.4736 -59.6436 40.4735 50.908 28.3714 -59.6437 28.3714 26.8392 GPRESSAVG: 1874200 -59.9031 40.3178 -57.4024 40.2029 50.1352 28.2429 -60.5096 27.5563 26.3714 TIMING: 1874200 CPU: 5576.13, 0.00294175/step Wall: 5576.13, 0.00294175/step, 2.55425 hours remaining, 207.722656 MB of memory in use. ENERGY: 1874200 718.3140 2099.5122 1940.3374 102.6397 -205541.0065 17414.4191 0.0000 0.0000 34413.4464 -148852.3377 300.5412 -183265.7842 -148757.1530 300.2974 -135.6954 -106.0779 557775.0951 5.5403 5.5345 PRESSURE: 1874400 188.838 166.589 -137.494 166.587 -40.9267 52.5837 -137.495 52.584 -38.4254 GPRESSURE: 1874400 193.551 111.815 -175.385 198.891 -34.6449 -12.3319 -95.5484 54.9159 37.8907 PRESSAVG: 1874400 -22.5897 51.7013 16.4046 51.7012 -2.95237 -54.2153 16.4046 -54.2153 -12.5509 GPRESSAVG: 1874400 -22.6236 51.4065 14.0959 51.3357 -4.1379 -53.4252 17.2824 -54.5714 -11.0548 TIMING: 1874400 CPU: 5576.72, 0.00294138/step Wall: 5576.72, 0.00294138/step, 2.55377 hours remaining, 207.722656 MB of memory in use. ENERGY: 1874400 746.5925 2099.4364 1958.6517 117.1258 -206087.5985 17812.6251 0.0000 0.0000 34550.0724 -148803.0947 301.7344 -183353.1670 -148707.9545 299.8653 36.4953 65.5989 558121.5856 -12.6976 -12.6055 PRESSURE: 1874600 -54.7785 -31.1022 -149.606 -31.1029 -62.2375 -233.445 -149.605 -233.444 -108.664 GPRESSURE: 1874600 -85.1853 19.0149 -164.076 10.12 -30.0727 -189.938 -94.9698 -328.114 -30.0341 PRESSAVG: 1874600 -23.5384 -25.5679 -39.9149 -25.568 6.3822 16.3031 -39.915 16.3031 18.3213 GPRESSAVG: 1874600 -23.8515 -24.671 -38.4931 -24.859 7.38451 15.7423 -41.6647 16.4897 17.263 TIMING: 1874600 CPU: 5577.31, 0.00295869/step Wall: 5577.31, 0.00295869/step, 2.56863 hours remaining, 207.722656 MB of memory in use. ENERGY: 1874600 755.4997 2074.7476 1944.1738 114.1210 -205653.9595 17650.1280 0.0000 0.0000 34279.1754 -148836.1140 299.3686 -183115.2894 -148735.4082 299.4803 -75.2265 -48.4307 558184.9422 0.3884 0.2653 PRESSURE: 1874800 -379.046 -43.5352 -102.937 -43.5347 -233.664 -87.0159 -102.937 -87.0146 -50.6198 GPRESSURE: 1874800 -289.954 -33.1376 -81.2891 -162.115 -146.88 -76.7475 -64.1661 -106.371 -115.876 PRESSAVG: 1874800 -32.8792 42.9159 -45.776 42.9161 6.4522 -30.4108 -45.776 -30.4108 -22.6252 GPRESSAVG: 1874800 -32.7618 42.0232 -45.9173 41.9157 6.29583 -31.3604 -43.1567 -29.062 -23.3473 TIMING: 1874800 CPU: 5577.9, 0.00295902/step Wall: 5577.9, 0.00295902/step, 2.56876 hours remaining, 207.722656 MB of memory in use. ENERGY: 1874800 743.0590 2070.9826 1938.6367 124.5706 -205422.3097 17251.0862 0.0000 0.0000 34198.5378 -149095.4369 298.6643 -183293.9747 -149000.1329 299.5186 -221.1100 -184.2370 558178.1898 -16.3507 -16.6044 PRESSURE: 1875000 -106.546 -133.713 114.729 -133.713 170.501 92.2161 114.73 92.215 101.514 GPRESSURE: 1875000 -60.7622 -223.11 28.9946 -192.833 143.579 110.548 88.8281 118.615 173.983 PRESSAVG: 1875000 -38.2204 -42.9251 16.5837 -42.925 19.4616 27.7319 16.5836 27.732 42.1064 GPRESSAVG: 1875000 -38.2078 -39.9951 15.7876 -42.3994 18.5373 29.8567 14.6658 26.817 43.4713 TIMING: 1875000 CPU: 5578.49, 0.00295278/step Wall: 5578.49, 0.00295278/step, 2.56318 hours remaining, 207.722656 MB of memory in use. ENERGY: 1875000 722.3220 2011.9966 1950.6940 120.9566 -206122.3707 17951.0487 0.0000 0.0000 34218.2590 -149147.0937 298.8366 -183365.3527 -149041.9930 299.2093 55.1564 85.5997 558538.2975 7.7825 7.9336 PRESSURE: 1875200 -358.27 124.707 -64.6566 124.708 -63.1415 -107.819 -64.6571 -107.819 -52.5613 GPRESSURE: 1875200 -297.567 83.4636 -65.3562 159.368 -22.8881 -118.478 12.4817 -71.1823 -65.6935 PRESSAVG: 1875200 -55.952 15.0255 29.5004 15.0255 -31.0233 4.58925 29.5004 4.58927 34.1087 GPRESSAVG: 1875200 -56.5885 12.6246 28.4033 14.0459 -29.7648 1.96321 30.1478 4.50078 33.631 TIMING: 1875200 CPU: 5579.08, 0.00294653/step Wall: 5579.08, 0.00294653/step, 2.55758 hours remaining, 207.722656 MB of memory in use. ENERGY: 1875200 730.6912 2104.0225 1931.7384 112.8888 -205514.2850 17434.8586 0.0000 0.0000 34156.1591 -149043.9263 298.2942 -183200.0854 -148951.2115 299.2872 -157.9909 -128.7164 558528.2408 -17.6222 -17.5741 PRESSURE: 1875400 -110.04 -46.9666 83.6632 -46.9666 33.0737 155.761 83.6631 155.763 149.414 GPRESSURE: 1875400 -80.5344 -14.7329 94.7922 -123.693 60.7905 163.698 22.3938 153.674 191.887 PRESSAVG: 1875400 -101.147 14.2169 -40.7039 14.2168 57.3511 -30.9478 -40.7039 -30.9478 23.4239 GPRESSAVG: 1875400 -101.588 12.6415 -39.372 15.8359 57.8335 -31.2191 -40.468 -29.7389 23.183 TIMING: 1875400 CPU: 5579.67, 0.00295993/step Wall: 5579.67, 0.00295993/step, 2.56906 hours remaining, 207.722656 MB of memory in use. ENERGY: 1875400 735.0755 2023.0975 1967.4927 116.2457 -206039.6936 17923.5264 0.0000 0.0000 34199.0013 -149075.2546 298.6684 -183274.2559 -148987.2852 299.6105 24.1493 57.3810 558874.6279 -6.7906 -6.8573 PRESSURE: 1875600 -0.351123 -169.911 37.6972 -169.91 38.6876 -60.2446 37.6967 -60.2456 191.951 GPRESSURE: 1875600 78.6581 -143.058 66.0871 -81.6216 65.5651 -46.5417 -10.2001 -97.4509 190.611 PRESSAVG: 1875600 -47.7683 8.85108 33.809 8.85112 61.8499 -35.2338 33.8089 -35.2338 4.18763 GPRESSAVG: 1875600 -45.6958 9.30022 33.6262 9.82605 60.7032 -33.8706 32.9492 -36.6367 3.9833 TIMING: 1875600 CPU: 5580.26, 0.00295321/step Wall: 5580.26, 0.00295321/step, 2.56306 hours remaining, 207.734375 MB of memory in use. ENERGY: 1875600 736.8016 2139.9409 1968.3767 111.6105 -205667.9195 17579.7079 0.0000 0.0000 34025.0348 -149106.4470 297.1491 -183131.4818 -149014.8866 299.2147 76.7625 111.6113 558627.5251 6.0897 6.3302 PRESSURE: 1875800 -345.72 139.939 14.2752 139.94 -322.021 -84.6133 14.2753 -84.6145 -215.282 GPRESSURE: 1875800 -327.012 150.772 23.0829 140.216 -259.151 -75.0008 7.37566 -42.265 -204.353 PRESSAVG: 1875800 17.2936 20.5105 10.4538 20.5105 -56.875 -12.1444 10.4539 -12.1444 57.2607 GPRESSAVG: 1875800 16.2736 21.8087 11.4618 18.1607 -55.6176 -13.9151 10.3073 -10.8448 57.3856 TIMING: 1875800 CPU: 5580.85, 0.00296143/step Wall: 5580.85, 0.00296143/step, 2.57003 hours remaining, 207.734375 MB of memory in use. ENERGY: 1875800 752.1600 2148.0427 1934.0603 115.9019 -206056.1231 17631.6684 0.0000 0.0000 34325.5115 -149148.7782 299.7732 -183474.2897 -149049.6873 298.9980 -294.3411 -263.5054 560920.4440 5.8931 6.0139 PRESSURE: 1876000 158.209 -4.74487 -141.286 -4.74572 166.105 56.5335 -141.286 56.533 164.834 GPRESSURE: 1876000 191.278 48.2977 -86.0141 -44.4073 183.808 53.7367 -162.671 45.6861 209.187 PRESSAVG: 1876000 -15.9049 -6.73252 -47.2888 -6.73247 -66.9437 12.3495 -47.2888 12.3495 32.8291 GPRESSAVG: 1876000 -14.7407 -5.69713 -47.6725 -7.88198 -68.2031 13.1916 -46.9087 12.9097 32.8937 TIMING: 1876000 CPU: 5581.45, 0.00297089/step Wall: 5581.45, 0.0029709/step, 2.57808 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: 1876000 711.1861 2115.4072 1954.5411 106.3614 -206727.1718 18203.6927 0.0000 0.0000 34489.6523 -149146.3310 301.2067 -183635.9834 -149048.2942 299.8327 163.0494 194.7577 558309.7641 -16.6732 -16.6834 PRESSURE: 1876200 98.9014 -40.3513 -87.5061 -40.3523 -171.813 96.4801 -87.5066 96.4808 202.316 GPRESSURE: 1876200 136.142 15.2367 -3.83007 -208.428 -118.741 54.4333 -104.681 108.442 203.617 PRESSAVG: 1876200 8.09052 -23.9998 -24.3562 -23.9998 10.0742 31.8382 -24.3561 31.8382 -9.08631 GPRESSAVG: 1876200 7.81956 -24.0832 -24.9586 -22.7909 9.71049 32.1182 -23.7504 29.8461 -8.62358 TIMING: 1876200 CPU: 5582.04, 0.00297713/step Wall: 5582.04, 0.00297713/step, 2.58332 hours remaining, 207.734375 MB of memory in use. ENERGY: 1876200 729.2126 2066.5581 1942.4047 126.1453 -206096.5506 17897.2124 0.0000 0.0000 34181.6673 -149153.3502 298.5170 -183335.0175 -149052.4484 299.8597 43.1350 73.6727 560621.6764 3.0261 2.9688 LDB: ============= START OF LOAD BALANCING ============== 5585.47 LDB: ============== END OF LOAD BALANCING =============== 5585.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5585.47 LDB: ============= START OF LOAD BALANCING ============== 5585.77 LDB: Largest compute 4847 load 0.025004 is 21.2% of average load 0.117983 LDB: Average compute 0.001724 is 1.5% of average load 0.117983 LDB: TIME 5585.77 LOAD: AVG 0.117983 MAX 0.19685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 5585.77 LOAD: AVG 0.117983 MAX 0.19685 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: TIME 5585.77 LOAD: AVG 0.117983 MAX 0.19685 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5585.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5585.78 PRESSURE: 1876400 -191.81 -132.688 -46.1029 -132.687 -71.1886 23.8411 -46.1033 23.841 -165.564 GPRESSURE: 1876400 -189.548 -97.6455 -33.5848 -200.247 4.52354 57.657 -24.4585 -52.04 -142.709 PRESSAVG: 1876400 -12.9627 -19.6762 -0.919511 -19.6761 31.0562 -25.8375 -0.919399 -25.8375 -44.1518 GPRESSAVG: 1876400 -12.6069 -20.6927 -0.426745 -20.3857 30.9438 -23.5494 -2.75545 -27.0156 -44.367 TIMING: 1876400 CPU: 5582.65, 0.00302607/step Wall: 5582.65, 0.00302607/step, 2.62562 hours remaining, 206.511719 MB of memory in use. ENERGY: 1876400 746.1699 2068.9929 1926.0675 103.0115 -205925.6697 17579.1814 0.0000 0.0000 34162.1907 -149340.0559 298.3469 -183502.2465 -149243.8860 298.6676 -142.8542 -109.2445 559461.5781 -8.6861 -8.6767 PRESSURE: 1876600 44.6153 23.5908 30.3343 23.5904 213.99 -164.01 30.3358 -164.009 50.499 GPRESSURE: 1876600 76.699 14.9222 8.89889 25.7769 260.48 -189.748 66.8248 -114.324 72.0131 PRESSAVG: 1876600 -59.5143 13.4192 27.5017 13.4193 12.675 -9.62358 27.5018 -9.62358 -18.5711 GPRESSAVG: 1876600 -59.7468 13.4494 28.6144 15.0021 13.4472 -12.6022 27.2558 -8.94362 -19.0136 TIMING: 1876600 CPU: 5583.24, 0.00296216/step Wall: 5583.24, 0.00296216/step, 2.57 hours remaining, 206.710938 MB of memory in use. ENERGY: 1876600 726.8675 2081.9661 1927.9527 124.0184 -206491.0498 18048.2131 0.0000 0.0000 34017.2244 -149564.8076 297.0809 -183582.0320 -149483.3978 297.6676 103.0346 136.3973 557896.7204 -21.8034 -21.7711 PRESSURE: 1876800 -3.17348 64.5998 133.817 64.5997 -37.1934 102.538 133.818 102.541 38.6273 GPRESSURE: 1876800 -0.489643 84.6541 110.412 104.915 57.3595 117.902 27.6014 70.8892 37.072 PRESSAVG: 1876800 -6.36111 66.9573 -44.6835 66.9573 3.8522 23.5791 -44.6835 23.5791 -17.0772 GPRESSAVG: 1876800 -6.14139 66.5793 -46.2193 65.5566 3.38068 23.8787 -42.1559 24.4975 -16.591 TIMING: 1876800 CPU: 5583.83, 0.00295245/step Wall: 5583.83, 0.00295245/step, 2.56142 hours remaining, 206.710938 MB of memory in use. ENERGY: 1876800 779.4607 2046.0503 1939.4561 113.0584 -206320.6999 17777.9728 0.0000 0.0000 34124.3098 -149540.3918 298.0161 -183664.7017 -149451.9537 297.8381 -0.5799 31.3140 556409.9122 -6.5287 -6.4506 PRESSURE: 1877000 -16.7833 102.632 50.5816 102.631 131.441 69.9195 50.5822 69.9195 62.6278 GPRESSURE: 1877000 21.7204 115.33 44.3317 143.756 162.907 109.893 -43.3092 -122.151 103.439 PRESSAVG: 1877000 -10.5807 44.6645 -0.501731 44.6645 30.4339 71.5525 -0.501721 71.5524 -45.2914 GPRESSAVG: 1877000 -10.3009 45.8083 -0.906932 45.7051 31.5716 74.0159 -0.207785 69.5301 -46.4921 TIMING: 1877000 CPU: 5584.43, 0.00297443/step Wall: 5584.43, 0.00297443/step, 2.58031 hours remaining, 206.710938 MB of memory in use. ENERGY: 1877000 721.5349 2076.9676 1921.5005 123.8164 -206048.5770 17722.9240 0.0000 0.0000 34134.3204 -149347.5132 298.1035 -183481.8336 -149254.2104 298.4123 59.0951 96.0221 557010.5875 -8.4794 -8.4071 PRESSURE: 1877200 -71.1973 76.6195 -77.2195 76.6192 56.2708 -139.435 -77.219 -139.435 129.164 GPRESSURE: 1877200 -32.9667 19.0409 -149.816 161.361 79.9341 -134.621 -108.181 -155.901 170.452 PRESSAVG: 1877200 8.61145 9.35239 24.7269 9.35239 -17.1983 -0.485815 24.7269 -0.485717 -14.5503 GPRESSAVG: 1877200 8.8299 7.13325 24.9585 9.47287 -18.977 -0.997934 24.4093 0.120042 -13.6793 TIMING: 1877200 CPU: 5585.02, 0.00297734/step Wall: 5585.02, 0.00297734/step, 2.58268 hours remaining, 206.710938 MB of memory in use. ENERGY: 1877200 751.4707 2096.3528 1950.7450 112.7102 -206397.8729 17928.5242 0.0000 0.0000 34195.3228 -149362.7472 298.6363 -183558.0700 -149272.2430 298.1792 38.0792 72.4732 556979.0431 -7.7124 -7.9422 PRESSURE: 1877400 -137.008 16.0534 -67.6252 16.0537 -201.64 -3.55608 -67.6257 -3.55547 12.9841 GPRESSURE: 1877400 -111.216 31.1662 -156.8 -58.5029 -118.389 -34.2968 39.1161 -42.4916 -1.2107 PRESSAVG: 1877400 -40.0128 -32.3952 43.2245 -32.3952 4.58009 13.1896 43.2244 13.1896 37.0918 GPRESSAVG: 1877400 -40.389 -32.6617 41.4452 -31.0692 5.83515 10.724 42.1527 15.2944 36.8326 TIMING: 1877400 CPU: 5585.61, 0.00295303/step Wall: 5585.61, 0.00295303/step, 2.56143 hours remaining, 206.710938 MB of memory in use. ENERGY: 1877400 735.9582 2069.6872 1952.2962 104.4682 -205934.1437 17556.8937 0.0000 0.0000 34144.2908 -149370.5494 298.1906 -183514.8402 -149276.6348 298.7468 -108.5547 -76.9383 558196.9424 0.5530 0.7596 PRESSURE: 1877600 -212.676 141.073 -35.3481 141.072 -61.0641 161.522 -35.3472 161.522 -19.4771 GPRESSURE: 1877600 -177.277 94.7397 -58.4139 155.513 -28.5726 146.166 16.1934 134.949 14.9164 PRESSAVG: 1877600 -63.3541 17.8069 5.95776 17.8069 27.319 8.64161 5.9578 8.64145 51.1574 GPRESSAVG: 1877600 -64.6297 18.535 8.58496 17.0584 27.6285 9.67052 6.36811 7.43505 52.2765 TIMING: 1877600 CPU: 5586.21, 0.00298622/step Wall: 5586.21, 0.00298622/step, 2.59005 hours remaining, 206.710938 MB of memory in use. ENERGY: 1877600 713.7645 2065.9751 1954.2694 91.0759 -206553.9019 17940.4580 0.0000 0.0000 34263.7653 -149524.5936 299.2340 -183788.3589 -149426.8710 299.0326 -97.7389 -63.6444 558397.7754 5.0408 5.0918 PRESSURE: 1877800 -187.803 0.623344 -128.066 0.623033 -47.3191 78.5197 -128.067 78.5188 -160.061 GPRESSURE: 1877800 -150.357 -91.9146 -102.588 38.644 -19.0252 -1.42228 -167.603 99.4254 -128.816 PRESSAVG: 1877800 -24.1669 51.5454 21.6421 51.5454 26.3341 52.1832 21.6421 52.1833 27.5075 GPRESSAVG: 1877800 -22.6867 50.5107 20.2208 50.6758 25.3155 52.6143 21.2972 51.3322 27.3277 TIMING: 1877800 CPU: 5586.81, 0.0030021/step Wall: 5586.81, 0.0030021/step, 2.60366 hours remaining, 206.710938 MB of memory in use. ENERGY: 1877800 751.7942 1998.5349 1962.0595 105.0797 -206459.7815 17782.5384 0.0000 0.0000 34131.8362 -149727.9386 298.0818 -183859.7748 -149634.0534 298.0852 -131.7280 -99.3995 556992.1346 9.8916 9.9855 PRESSURE: 1878000 -124.338 152.515 2.29507 152.515 -153.375 124.94 2.29453 124.941 148.214 GPRESSURE: 1878000 -74.9126 204.364 29.8174 155.371 -122.923 133.703 -65.6498 173.748 173.072 PRESSAVG: 1878000 -28.9613 42.665 -5.95008 42.665 7.34939 81.8854 -5.95017 81.8853 27.2103 GPRESSAVG: 1878000 -29.0946 42.7164 -6.90912 44.9386 7.45579 81.2869 -5.57744 82.4111 26.9834 TIMING: 1878000 CPU: 5587.41, 0.00297369/step Wall: 5587.41, 0.00297369/step, 2.57885 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: 1878000 721.1636 2050.9910 1919.6027 107.9799 -206285.9011 17813.9768 0.0000 0.0000 34021.7376 -149650.4494 297.1203 -183672.1870 -149554.0660 297.7404 -43.1663 -8.2546 558374.1564 1.8661 1.7815 PRESSURE: 1878200 161.011 91.271 80.5693 91.2724 241.023 38.3704 80.5709 38.3709 309.563 GPRESSURE: 1878200 187.056 160.223 5.48993 19.076 309.814 106.727 110.283 68.2472 327.216 PRESSAVG: 1878200 -6.61685 27.5848 13.529 27.5848 42.0298 37.7193 13.529 37.7193 -34.5603 GPRESSAVG: 1878200 -7.14865 27.5221 12.5259 25.9266 41.7112 36.3133 15.6547 39.6201 -34.1052 TIMING: 1878200 CPU: 5588, 0.00299787/step Wall: 5588, 0.00299787/step, 2.59965 hours remaining, 206.710938 MB of memory in use. ENERGY: 1878200 701.0875 2070.9196 1969.9290 109.2865 -207064.1232 18373.9664 0.0000 0.0000 34082.6195 -149756.3147 297.6520 -183838.9342 -149663.9130 297.0638 237.1989 274.6954 556967.9453 0.2842 0.1524 PRESSURE: 1878400 -92.4223 147.699 -132.657 147.699 26.3775 -56.268 -132.658 -56.2692 10.7766 GPRESSURE: 1878400 -16.4491 143.988 -85.4068 147.411 47.6029 -91.5868 -166.875 70.0815 2.06288 PRESSAVG: 1878400 -40 -7.6479 -23.4786 -7.6479 -38.1853 -7.34815 -23.4786 -7.3482 61.2735 GPRESSAVG: 1878400 -40.5982 -6.27941 -21.7386 -7.96868 -37.7115 -5.45938 -24.1344 -7.80384 60.63 TIMING: 1878400 CPU: 5588.61, 0.00303046/step Wall: 5588.61, 0.00303046/step, 2.62775 hours remaining, 206.710938 MB of memory in use. ENERGY: 1878400 752.9707 2070.3656 1944.8237 96.7444 -206382.0340 17884.4629 0.0000 0.0000 34087.7323 -149544.9345 297.6966 -183632.6668 -149455.3527 298.5343 -18.4227 11.0722 556860.7849 -5.6373 -5.8932 PRESSURE: 1878600 -93.0902 71.9495 -75.7408 71.9494 -275.281 -73.6294 -75.7392 -73.6284 -63.4026 GPRESSURE: 1878600 -27.8809 52.237 -71.1213 25.9939 -213.449 -63.3329 -75.3511 -70.2149 -104.168 PRESSAVG: 1878600 -2.16487 -30.5054 -60.7847 -30.5053 43.1852 -16.2614 -60.7847 -16.2614 -41.6007 GPRESSAVG: 1878600 -1.75265 -31.4268 -60.6996 -28.8343 43.7327 -16.0668 -63.9911 -16.1419 -42.6378 TIMING: 1878600 CPU: 5589.21, 0.00301398/step Wall: 5589.21, 0.00301398/step, 2.61329 hours remaining, 206.710938 MB of memory in use. ENERGY: 1878600 747.4872 2063.5581 1948.3632 123.7825 -206137.5272 17569.5935 0.0000 0.0000 34093.2242 -149591.5186 297.7446 -183684.7428 -149503.1300 298.9383 -143.9246 -115.1659 557244.3193 -0.1935 -0.2193 PRESSURE: 1878800 52.8916 4.47188 -81.3995 4.47228 5.21852 39.9891 -81.4001 39.9881 -106.71 GPRESSURE: 1878800 77.8149 -45.4302 -79.1382 4.05639 46.4125 39.6543 -146.953 93.1678 -76.7432 PRESSAVG: 1878800 54.615 -8.19062 -16.6222 -8.19062 -5.76512 -27.7373 -16.6223 -27.7374 11.8501 GPRESSAVG: 1878800 54.4623 -6.64444 -17.0751 -10.1104 -7.03264 -27.0527 -15.1655 -29.0085 13.1876 TIMING: 1878800 CPU: 5589.82, 0.00302737/step Wall: 5589.82, 0.00302737/step, 2.62473 hours remaining, 206.710938 MB of memory in use. ENERGY: 1878800 700.1111 2070.0000 1971.6448 124.2748 -206655.4293 17937.5739 0.0000 0.0000 34074.8172 -149777.0075 297.5839 -183851.8247 -149677.5133 298.4218 -16.1998 15.8280 556909.3217 20.2333 20.2058 PRESSURE: 1879000 51.2947 -46.7387 27.7165 -46.7383 163.419 211.462 27.716 211.463 -55.3514 GPRESSURE: 1879000 75.3743 -125.889 102.295 -51.7533 137.514 174.614 -115.591 222.52 40.6382 PRESSAVG: 1879000 5.44536 -21.0049 -12.8813 -21.005 -17.3359 4.49424 -12.8814 4.49438 -29.433 GPRESSAVG: 1879000 4.29749 -23.3813 -12.9578 -19.8895 -17.4817 3.41935 -14.2615 6.02299 -28.0959 TIMING: 1879000 CPU: 5590.42, 0.00299808/step Wall: 5590.42, 0.00299808/step, 2.59917 hours remaining, 206.710938 MB of memory in use. ENERGY: 1879000 703.8536 2032.0598 1954.6705 103.5535 -206628.9625 18018.0439 0.0000 0.0000 33992.1038 -149824.6774 296.8615 -183816.7811 -149736.6375 297.8189 53.1209 84.5089 557061.7570 -13.7745 -13.7600 PRESSURE: 1879200 270.395 -140.463 101.495 -140.464 -130.276 89.3368 101.495 89.3358 -88.0027 GPRESSURE: 1879200 284.226 -74.2075 108.867 -104.115 -94.599 82.1911 94.1397 118.151 -45.7449 PRESSAVG: 1879200 13.5574 -20.1087 8.8356 -20.1087 -8.12855 -5.11132 8.83559 -5.11132 -37.8846 GPRESSAVG: 1879200 14.6414 -20.3066 8.74227 -19.5352 -7.86521 -6.02616 10.5492 -6.27376 -39.2665 TIMING: 1879200 CPU: 5591.01, 0.00295837/step Wall: 5591.01, 0.00295837/step, 2.56458 hours remaining, 206.710938 MB of memory in use. ENERGY: 1879200 739.5621 2055.0901 1924.9737 115.0466 -206376.0834 17904.5621 0.0000 0.0000 34060.0591 -149576.7896 297.4550 -183636.8487 -149486.6040 297.6520 17.3723 47.9606 557711.8647 -10.8186 -10.8301 PRESSURE: 1879400 -185.943 -234.771 -89.369 -234.77 -150.391 -40.5864 -89.3695 -40.5865 -275.34 GPRESSURE: 1879400 -104.943 -300.491 -85.5779 -137.757 -98.5427 -16.6767 -96.572 -126.404 -310.379 PRESSAVG: 1879400 42.1183 -42.2345 32.7324 -42.2345 10.6024 -1.792 32.7324 -1.7921 -24.5532 GPRESSAVG: 1879400 42.5692 -41.5732 32.4788 -40.4444 11.6334 -2.23269 32.8416 0.930092 -25.9914 TIMING: 1879400 CPU: 5591.61, 0.00298589/step Wall: 5591.61, 0.00298589/step, 2.58827 hours remaining, 206.710938 MB of memory in use. ENERGY: 1879400 739.6789 2058.0647 1935.9935 120.6978 -205700.5096 17416.8553 0.0000 0.0000 33959.9614 -149469.2580 296.5808 -183429.2195 -149375.6564 297.8204 -203.8912 -171.2885 558519.8036 9.3891 9.4037 PRESSURE: 1879600 -217.392 124.464 -11.5709 124.463 115.863 -111.082 -11.57 -111.082 -262.143 GPRESSURE: 1879600 -186.518 122.897 75.5722 109.602 118.324 -198.668 -60.4468 88.8045 -184.68 PRESSAVG: 1879600 77.2645 -10.8489 -37.2228 -10.8489 -64.359 -6.23173 -37.2228 -6.23176 -58.7578 GPRESSAVG: 1879600 76.0234 -8.52005 -37.8178 -14.5025 -64.1382 -6.17055 -37.2644 -7.41234 -57.3578 TIMING: 1879600 CPU: 5592.2, 0.00296415/step Wall: 5592.2, 0.00296415/step, 2.56926 hours remaining, 206.710938 MB of memory in use. ENERGY: 1879600 764.8233 1991.6367 1934.4163 103.8750 -206486.0300 17854.5682 0.0000 0.0000 34157.3867 -149679.3238 298.3050 -183836.7105 -149587.7793 297.6668 -121.2240 -84.2912 557713.2179 -15.2841 -15.1575 PRESSURE: 1879800 -226.406 -41.2396 153.039 -41.2405 -378.529 -148.482 153.042 -148.483 -40.1432 GPRESSURE: 1879800 -185.192 -65.179 118.056 -28.879 -344.927 -113.501 140.847 -116.873 -10.0057 PRESSAVG: 1879800 29.3792 -38.6896 -11.7853 -38.6895 -35.5768 -20.4824 -11.7853 -20.4824 31.1985 GPRESSAVG: 1879800 29.6284 -39.3242 -11.3127 -38.4067 -35.2355 -18.2257 -13.0518 -22.6228 30.3643 TIMING: 1879800 CPU: 5592.79, 0.00297176/step Wall: 5592.79, 0.00297176/step, 2.57569 hours remaining, 206.710938 MB of memory in use. ENERGY: 1879800 775.0876 2033.8661 1949.3085 117.9966 -206319.1781 17777.4933 0.0000 0.0000 33907.9710 -149757.4550 296.1267 -183665.4260 -149661.1348 297.2812 -215.0262 -180.0416 558700.7129 8.3336 8.2524 PRESSURE: 1880000 -118.748 -155.896 -216.942 -155.896 97.0918 -3.5665 -216.941 -3.5667 -276.001 GPRESSURE: 1880000 -64.4688 -147.972 -184.577 -74.3469 91.3389 -22.1592 -254.271 20.785 -226.637 PRESSAVG: 1880000 51.9208 -14.4892 -33.3557 -14.4893 -50.2656 -52.2971 -33.3557 -52.2971 22.7378 GPRESSAVG: 1880000 52.4423 -14.1291 -31.7307 -12.8476 -52.4984 -55.4698 -32.4916 -49.37 24.3396 TIMING: 1880000 CPU: 5593.39, 0.00296825/step Wall: 5593.39, 0.00296825/step, 2.57248 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: 1880000 760.0113 2067.8342 1944.6421 109.0243 -206062.6260 17497.6083 0.0000 0.0000 34107.4213 -149576.0845 297.8686 -183683.5059 -149490.2381 297.4752 -99.2191 -66.5890 557665.4149 8.1310 8.0945 PRESSURE: 1880200 146.889 -67.4742 35.8206 -67.4734 221.966 103.598 35.8195 103.599 -306.008 GPRESSURE: 1880200 224.17 24.1595 -18.3708 -94.4675 193.919 90.2158 26.1045 96.5328 -263.947 PRESSAVG: 1880200 27.5986 50.422 -18.6795 50.4219 57.0483 -15.8084 -18.6794 -15.8085 -86.6233 GPRESSAVG: 1880200 27.98 49.3634 -19.7701 48.9108 59.074 -13.3339 -18.8541 -17.4104 -89.0324 TIMING: 1880200 CPU: 5593.98, 0.00297947/step Wall: 5593.98, 0.00297947/step, 2.58204 hours remaining, 206.710938 MB of memory in use. ENERGY: 1880200 749.7872 2098.1084 1917.0615 104.7407 -206436.1803 17831.5022 0.0000 0.0000 34161.4618 -149573.5184 298.3405 -183734.9802 -149483.5749 298.0483 20.9491 51.3806 556947.2472 -0.6588 -0.6595 LDB: ============= START OF LOAD BALANCING ============== 5597.41 LDB: ============== END OF LOAD BALANCING =============== 5597.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5597.41 LDB: ============= START OF LOAD BALANCING ============== 5597.71 LDB: Largest compute 4847 load 0.023323 is 19.8% of average load 0.118068 LDB: Average compute 0.001721 is 1.5% of average load 0.118068 LDB: TIME 5597.72 LOAD: AVG 0.118068 MAX 0.200575 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.027 MB LDB: TIME 5597.72 LOAD: AVG 0.118068 MAX 0.200575 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.027 MB LDB: TIME 5597.72 LOAD: AVG 0.118068 MAX 0.200575 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.027 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5597.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5597.72 PRESSURE: 1880400 164.821 -46.3985 -29.1499 -46.3983 -76.5606 10.5731 -29.15 10.5729 -162.136 GPRESSURE: 1880400 190.287 12.8263 -6.48468 -0.66076 -51.9782 3.16566 -117.152 16.4564 -121.929 PRESSAVG: 1880400 38.2012 -12.7476 -25.592 -12.7476 -32.4121 -7.56325 -25.5919 -7.56333 4.1273 GPRESSAVG: 1880400 39.145 -13.2457 -24.5696 -10.8138 -34.4374 -9.00924 -25.6755 -7.26673 5.09853 TIMING: 1880400 CPU: 5594.59, 0.00303852/step Wall: 5594.59, 0.00303852/step, 2.63305 hours remaining, 204.515625 MB of memory in use. ENERGY: 1880400 766.6975 2060.2983 1944.2709 107.9520 -206750.8046 18012.1839 0.0000 0.0000 34342.5489 -149516.8530 299.9220 -183859.4019 -149418.5344 298.6659 -24.6252 5.4598 557221.8321 3.3055 3.2687 PRESSURE: 1880600 -183.253 -175.867 128.149 -175.867 -3.37213 -7.3399 128.148 -7.34119 71.236 GPRESSURE: 1880600 -164.732 -216.475 215.373 -128.053 46.6531 39.9217 129.385 -4.86812 102.509 PRESSAVG: 1880600 -18.9866 -33.4036 -1.93455 -33.4035 -26.7922 15.0298 -1.93463 15.0299 37.5131 GPRESSAVG: 1880600 -21.3708 -32.8892 -5.28188 -34.0755 -25.2106 15.3622 1.027 13.138 38.2528 TIMING: 1880600 CPU: 5595.19, 0.00299825/step Wall: 5595.19, 0.00299825/step, 2.59798 hours remaining, 204.515625 MB of memory in use. ENERGY: 1880600 745.4787 2105.1174 1940.5741 111.0383 -206240.8004 17706.2173 0.0000 0.0000 34269.3034 -149363.0712 299.2823 -183632.3746 -149265.3269 299.2897 -38.4631 -5.1900 557155.9514 -2.7553 -2.7762 PRESSURE: 1880800 45.4948 -35.2094 173.198 -35.2091 174.972 -93.1814 173.199 -93.1813 17.9712 GPRESSURE: 1880800 21.4866 16.3193 110.896 -104.543 244.129 -99.4019 147.173 -9.68125 79.2963 PRESSAVG: 1880800 -25.4419 -53.1084 22.4466 -53.1085 66.6657 10.5277 22.4465 10.5277 -0.19422 GPRESSAVG: 1880800 -24.0437 -52.9753 25.0293 -54.9473 66.259 10.9703 20.8701 12.5047 -1.16747 TIMING: 1880800 CPU: 5595.79, 0.00298561/step Wall: 5595.79, 0.00298561/step, 2.58687 hours remaining, 204.515625 MB of memory in use. ENERGY: 1880800 751.1678 2020.0234 1940.0031 109.5118 -206532.7678 18072.3028 0.0000 0.0000 34306.8833 -149332.8756 299.6105 -183639.7589 -149231.3690 299.0832 79.4793 114.9707 557307.1434 13.6765 13.6826 PRESSURE: 1881000 -145.091 36.4062 -20.6116 36.4048 -135.732 -94.8006 -20.6111 -94.7989 -108.042 GPRESSURE: 1881000 -123.06 46.4466 -54.9364 28.9615 -144.716 -102.177 17.6715 -70.0577 -24.9522 PRESSAVG: 1881000 -56.3293 10.7917 -5.61155 10.7917 -49.3105 9.15443 -5.61156 9.15448 134.246 GPRESSAVG: 1881000 -57.9258 12.925 -5.9882 10.1947 -49.6039 7.65985 -6.58049 8.37994 135.826 TIMING: 1881000 CPU: 5596.39, 0.00302128/step Wall: 5596.39, 0.00302128/step, 2.61761 hours remaining, 204.515625 MB of memory in use. ENERGY: 1881000 729.1401 2126.9604 1935.8736 121.4515 -206010.5303 17489.8083 0.0000 0.0000 34302.9737 -149304.3227 299.5764 -183607.2963 -149209.4159 299.1794 -129.6215 -97.5761 557527.5746 9.5353 9.4320 PRESSURE: 1881200 3.66311 -79.6438 9.01507 -79.643 -167.072 -130.494 9.01421 -130.496 12.9364 GPRESSURE: 1881200 27.1246 -9.07021 56.7591 -71.8553 -122.289 -151.356 -26.4835 -74.089 51.2548 PRESSAVG: 1881200 16.9047 28.419 -24.0397 28.419 -57.4335 -47.9771 -24.0397 -47.977 63.2606 GPRESSAVG: 1881200 17.5722 25.3432 -25.4188 29.447 -57.4072 -49.4028 -23.7973 -48.0757 62.1379 TIMING: 1881200 CPU: 5597, 0.00302069/step Wall: 5597, 0.00302069/step, 2.61693 hours remaining, 204.515625 MB of memory in use. ENERGY: 1881200 778.2838 2110.4905 1956.6820 120.9256 -206203.0722 17662.0042 0.0000 0.0000 34271.8743 -149302.8118 299.3048 -183574.6861 -149201.1780 300.2792 -50.1576 -14.6366 556788.3623 7.5773 7.4343 PRESSURE: 1881400 -307.994 -71.3951 70.1547 -71.394 -63.306 54.6531 70.1537 54.6546 -161.459 GPRESSURE: 1881400 -279.231 -122.031 112.52 -48.5234 -44.8963 42.5232 -10.4575 111.339 -106.178 PRESSAVG: 1881400 -30.1707 -35.3608 15.65 -35.3608 -23.1344 -51.8055 15.6499 -51.8055 -19.7448 GPRESSAVG: 1881400 -29.9118 -35.4004 14.8494 -34.5553 -23.265 -50.7994 15.7794 -50.9018 -20.1048 TIMING: 1881400 CPU: 5597.6, 0.00300144/step Wall: 5597.6, 0.00300144/step, 2.60008 hours remaining, 204.515625 MB of memory in use. ENERGY: 1881400 731.4026 2119.8401 1954.4651 111.6185 -206200.2822 17596.2768 0.0000 0.0000 34346.5741 -149340.1050 299.9572 -183686.6791 -149243.4321 299.0958 -177.5860 -143.4353 556814.1172 -24.3499 -24.4272 PRESSURE: 1881600 -31.565 -3.13669 60.9356 -3.13687 -65.1694 92.3596 60.9349 92.3606 34.0177 GPRESSURE: 1881600 12.3692 -39.9762 -27.1549 -3.56337 -33.3091 133.418 86.7344 61.4961 44.5285 PRESSAVG: 1881600 -4.75162 45.9858 22.4799 45.9858 49.1532 5.64976 22.48 5.64979 -45.5042 GPRESSAVG: 1881600 -4.98951 47.2519 24.4758 43.7509 50.6625 6.20804 20.5717 6.4332 -46.5415 TIMING: 1881600 CPU: 5598.2, 0.00300789/step Wall: 5598.2, 0.00300789/step, 2.60551 hours remaining, 204.515625 MB of memory in use. ENERGY: 1881600 750.3474 2095.8497 1954.3844 106.9849 -205893.7019 17661.4967 0.0000 0.0000 33989.2885 -149335.3504 296.8369 -183324.6389 -149242.0102 298.9624 -20.9055 7.8629 556996.7945 -0.3676 -0.2895 PRESSURE: 1881800 110.469 -0.729209 -40.5098 -0.729448 -6.62874 -201.426 -40.5089 -201.426 -46.1979 GPRESSURE: 1881800 197.635 -57.9068 -80.1639 69.313 -71.0424 -197.124 -63.2292 -150.199 17.6067 PRESSAVG: 1881800 6.63053 -41.6046 -10.9789 -41.6046 65.814 8.17695 -10.9789 8.17691 -46.7697 GPRESSAVG: 1881800 7.63052 -40.8659 -11.1709 -40.8594 63.627 8.48984 -10.4609 8.03892 -45.2521 TIMING: 1881800 CPU: 5598.79, 0.00296519/step Wall: 5598.79, 0.00296519/step, 2.56835 hours remaining, 204.515625 MB of memory in use. ENERGY: 1881800 784.8925 2063.6206 1921.4114 110.8913 -206821.9314 17911.7376 0.0000 0.0000 34498.6294 -149530.7486 301.2851 -184029.3780 -149427.0886 299.6253 19.2140 48.0665 555835.9739 8.5583 8.6685 PRESSURE: 1882000 69.7449 -104.374 149.168 -104.374 -105.337 24.6961 149.167 24.6962 134.514 GPRESSURE: 1882000 67.1042 -112.375 94.8586 -65.7523 -26.8625 66.5124 73.9316 36.0158 151.407 PRESSAVG: 1882000 -3.07592 -49.1081 -25.6774 -49.108 13.0445 35.2151 -25.6773 35.2152 -0.647799 GPRESSAVG: 1882000 -2.71905 -49.5524 -24.2653 -49.5256 14.1083 35.6953 -25.6505 34.3013 -2.35959 TIMING: 1882000 CPU: 5599.38, 0.00294756/step Wall: 5599.38, 0.00294756/step, 2.55292 hours remaining, 204.515625 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: 1882000 760.0481 2053.1243 1947.3515 120.9943 -206533.0167 17889.1046 0.0000 0.0000 34118.1491 -149644.2447 297.9623 -183762.3939 -149545.3147 299.0802 32.9738 63.8827 555127.7122 3.1069 3.0099 PRESSURE: 1882200 48.2368 92.86 -95.4062 92.8611 -119.022 44.6693 -95.4071 44.6692 83.0717 GPRESSURE: 1882200 98.8297 25.5578 -159.864 102.689 -73.2709 17.0946 -3.99991 71.027 82.763 PRESSAVG: 1882200 -24.3949 23.7375 19.7755 23.7375 -30.3237 25.7676 19.7755 25.7676 74.5185 GPRESSAVG: 1882200 -24.6931 23.0574 17.6183 24.4518 -30.4758 24.8866 20.6631 26.2254 74.858 TIMING: 1882200 CPU: 5599.97, 0.00295064/step Wall: 5599.97, 0.00295064/step, 2.55542 hours remaining, 204.515625 MB of memory in use. ENERGY: 1882200 709.2421 2107.2507 1939.4691 112.2451 -206361.2785 17717.3478 0.0000 0.0000 34254.7640 -149520.9599 299.1554 -183775.7239 -149426.0065 298.2492 4.0956 36.1073 556628.0317 6.6000 6.5631 PRESSURE: 1882400 -111.394 71.8467 -88.9878 71.846 202.507 -47.908 -88.9877 -47.9085 -104.477 GPRESSURE: 1882400 6.43022 65.7862 -123.351 54.576 208.534 -22.3355 -88.3514 -26.4743 -121.433 PRESSAVG: 1882400 48.6501 13.8079 -28.5487 13.8079 15.7202 -17.8322 -28.5487 -17.8321 -57.4988 GPRESSAVG: 1882400 49.4841 13.5166 -27.8103 14.608 14.5556 -17.2962 -29.4328 -16.4242 -57.4728 TIMING: 1882400 CPU: 5600.56, 0.00296124/step Wall: 5600.56, 0.00296124/step, 2.56443 hours remaining, 204.515625 MB of memory in use. ENERGY: 1882400 742.1087 2076.1116 1918.3970 122.2232 -206445.5662 17929.4496 0.0000 0.0000 34193.2218 -149464.0542 298.6179 -183657.2761 -149368.5329 299.0370 -4.4547 31.1771 556256.6953 2.2905 2.1890 PRESSURE: 1882600 -15.6373 -42.966 15.5404 -42.966 -74.332 -22.6894 15.5407 -22.6886 -373.044 GPRESSURE: 1882600 29.7554 -50.1723 -72.618 -99.9525 -58.5711 -39.8959 139.316 28.0628 -353.223 PRESSAVG: 1882600 36.2932 23.4577 11.8768 23.4578 6.20918 15.7634 11.8769 15.7634 -3.85972 GPRESSAVG: 1882600 36.515 22.6807 11.1551 23.2174 6.55339 16.8601 12.9587 14.6612 -3.83226 TIMING: 1882600 CPU: 5601.16, 0.00296423/step Wall: 5601.16, 0.00296423/step, 2.56686 hours remaining, 204.515625 MB of memory in use. ENERGY: 1882600 715.4796 2056.9235 1966.6321 119.5121 -206214.9554 17576.2760 0.0000 0.0000 34180.0703 -149600.0617 298.5031 -183780.1320 -149499.5105 298.4767 -154.3378 -127.3464 556892.6826 12.8809 13.0787 PRESSURE: 1882800 15.5344 260.916 148.891 260.917 -11.7173 194.107 148.89 194.108 143.919 GPRESSURE: 1882800 7.70242 265.609 88.7671 243.555 103.443 213.105 188.312 139.229 132.153 PRESSAVG: 1882800 -28.1036 -32.9089 16.939 -32.9089 48.9961 28.6847 16.939 28.6848 -28.308 GPRESSAVG: 1882800 -29.2699 -30.8293 18.0312 -32.8907 49.4719 28.1427 14.5817 29.0237 -27.1519 TIMING: 1882800 CPU: 5601.76, 0.00299362/step Wall: 5601.76, 0.00299362/step, 2.59214 hours remaining, 204.515625 MB of memory in use. ENERGY: 1882800 715.0124 2079.7125 1954.4034 113.3533 -206604.1453 17862.5804 0.0000 0.0000 34012.5130 -149866.5702 297.0397 -183879.0832 -149766.2306 298.0671 49.2455 81.0993 556123.3966 -2.4718 -2.3166 PRESSURE: 1883000 -52.5903 28.1714 -87.9902 28.1727 -18.1852 4.05038 -87.991 4.05158 -4.14523 GPRESSURE: 1883000 -5.35951 -7.6833 -98.1743 56.8416 -63.6268 39.9881 -92.4215 12.4216 93.2574 PRESSAVG: 1883000 -84.4379 8.93624 -10.9532 8.93635 12.2525 -2.52329 -10.9532 -2.52326 32.5597 GPRESSAVG: 1883000 -83.6029 8.48385 -12.8931 8.03028 11.2529 -1.68958 -8.62628 -1.2956 32.6097 TIMING: 1883000 CPU: 5602.35, 0.00297197/step Wall: 5602.35, 0.00297197/step, 2.57323 hours remaining, 204.515625 MB of memory in use. ENERGY: 1883000 737.2124 2035.2929 1955.3376 118.4322 -206523.5581 17781.6176 0.0000 0.0000 34076.1833 -149819.4820 297.5958 -183895.6652 -149721.8305 297.6048 -24.9736 8.0904 556431.4137 -13.2086 -13.2468 PRESSURE: 1883200 -20.2472 8.65709 35.7693 8.65697 76.1329 -133.576 35.7693 -133.575 -55.3334 GPRESSURE: 1883200 52.33 -37.3755 113.534 76.2516 58.3606 -105.183 -0.911082 -152.824 -13.7313 PRESSAVG: 1883200 5.95317 -4.60896 -11.8891 -4.60892 54.633 17.4106 -11.889 17.4106 -5.11632 GPRESSAVG: 1883200 5.53758 -5.15883 -9.57778 -3.61366 56.0963 17.0395 -13.5625 14.8953 -5.86648 TIMING: 1883200 CPU: 5602.94, 0.00297351/step Wall: 5602.94, 0.00297351/step, 2.5744 hours remaining, 204.515625 MB of memory in use. ENERGY: 1883200 748.5558 2049.0285 1979.8499 104.0213 -206602.1362 17857.7201 0.0000 0.0000 34217.9431 -149645.0175 298.8338 -183862.9607 -149553.0262 298.0248 0.1841 32.3198 556770.3307 18.4899 18.5891 PRESSURE: 1883400 199.132 60.0278 -45.5106 60.0275 6.19817 -24.6695 -45.5104 -24.6688 -30.6456 GPRESSURE: 1883400 282.326 10.973 26.1224 69.3352 22.5944 52.8991 -33.6872 -63.3374 -43.7269 PRESSAVG: 1883400 67.4632 -23.755 -0.475606 -23.755 35.6507 -0.327985 -0.475591 -0.327951 -90.9011 GPRESSAVG: 1883400 66.7134 -22.608 -0.612358 -24.6325 36.12 -0.0346725 -0.79893 0.145935 -90.2899 TIMING: 1883400 CPU: 5603.54, 0.00299126/step Wall: 5603.54, 0.00299126/step, 2.5896 hours remaining, 204.515625 MB of memory in use. ENERGY: 1883400 780.1240 2103.6824 1946.7593 114.4395 -206686.0691 17865.5632 0.0000 0.0000 34138.0545 -149737.4463 298.1361 -183875.5008 -149647.2390 297.9358 58.2283 87.0644 555919.5799 4.0709 4.1812 PRESSURE: 1883600 -219.851 -28.0376 -52.0904 -28.0374 14.2481 -27.932 -52.0903 -27.9316 -19.4579 GPRESSURE: 1883600 -89.7404 -26.4286 -79.9831 -62.4358 -1.12569 34.4354 -30.1071 23.0695 -41.931 PRESSAVG: 1883600 -3.12473 20.7636 -39.9086 20.7637 49.4105 49.5434 -39.9086 49.5435 -25.115 GPRESSAVG: 1883600 -2.75008 18.5415 -40.8959 22.3089 48.9533 50.5046 -38.8625 48.9252 -25.355 TIMING: 1883600 CPU: 5604.14, 0.00300092/step Wall: 5604.14, 0.00300092/step, 2.59779 hours remaining, 204.515625 MB of memory in use. ENERGY: 1883600 736.5612 2095.3355 1969.3959 120.1571 -206677.4188 17952.9504 0.0000 0.0000 34245.3052 -149557.7135 299.0728 -183803.0187 -149459.7598 298.5113 -75.0204 -44.2657 558256.8709 7.0569 6.9494 PRESSURE: 1883800 70.7539 -6.25914 -57.9495 -6.25998 -49.5136 -128.183 -57.9486 -128.184 -240.304 GPRESSURE: 1883800 79.9125 -21.0422 -46.0214 -19.1805 12.2359 -109.677 -0.188869 -188.603 -211.653 PRESSAVG: 1883800 -12.0668 -18.6682 28.7517 -18.6684 -29.3746 -53.432 28.7518 -53.4321 -26.2543 GPRESSAVG: 1883800 -13.1358 -17.8157 29.1209 -21.3949 -28.7948 -56.2685 27.8375 -53.5926 -26.1629 TIMING: 1883800 CPU: 5604.75, 0.0030218/step Wall: 5604.75, 0.0030218/step, 2.61571 hours remaining, 204.515625 MB of memory in use. ENERGY: 1883800 735.6932 2090.0474 1963.4316 123.9609 -206530.9595 17839.8361 0.0000 0.0000 34168.6209 -149609.3695 298.4031 -183777.9904 -149507.3605 298.4627 -73.0214 -39.8350 556899.9735 -22.5653 -22.6978 PRESSURE: 1884000 240.213 -212.185 -74.4979 -212.185 218.534 -56.0999 -74.4979 -56.1002 210.046 GPRESSURE: 1884000 242.108 -146.751 -88.429 -228.283 286.339 36.3136 -13.5624 -90.5209 253.594 PRESSAVG: 1884000 30.6538 -38.352 5.07816 -38.3519 -21.7916 -28.5245 5.07812 -28.5245 6.5484 GPRESSAVG: 1884000 31.1014 -35.8861 4.65869 -37.4076 -23.899 -27.7958 6.54501 -28.5286 8.52645 TIMING: 1884000 CPU: 5605.34, 0.00296804/step Wall: 5605.34, 0.00296804/step, 2.569 hours remaining, 204.515625 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: 1884000 719.4020 2074.3052 1977.8047 109.3295 -206703.0960 18133.0365 0.0000 0.0000 34023.8626 -149665.3556 297.1389 -183689.2182 -149573.0112 297.9757 222.9310 260.6804 556984.8019 5.1369 5.2429 PRESSURE: 1884200 67.1832 104.099 -4.96978 104.1 89.711 -52.2085 -4.97013 -52.2091 85.4994 GPRESSURE: 1884200 120.282 81.7847 -19.1314 53.4623 148.381 -85.7002 -21.9556 25.122 74.4679 PRESSAVG: 1884200 -11.5541 -33.941 -12.3398 -33.941 -55.6214 -31.8562 -12.3398 -31.8563 19.389 GPRESSAVG: 1884200 -11.7298 -33.4659 -13.5177 -33.7624 -54.618 -34.1268 -12.0982 -30.9376 18.4853 TIMING: 1884200 CPU: 5605.93, 0.00295285/step Wall: 5605.93, 0.00295285/step, 2.55569 hours remaining, 204.515625 MB of memory in use. ENERGY: 1884200 759.6303 2091.5685 1967.7288 109.3811 -207049.1638 18137.2765 0.0000 0.0000 34238.4230 -149745.1555 299.0127 -183983.5785 -149656.7899 298.2097 80.7979 114.3769 556777.1454 -15.9288 -15.9542 LDB: ============= START OF LOAD BALANCING ============== 5609.36 LDB: ============== END OF LOAD BALANCING =============== 5609.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5609.36 LDB: ============= START OF LOAD BALANCING ============== 5609.66 LDB: Largest compute 4847 load 0.023444 is 19.9% of average load 0.117937 LDB: Average compute 0.001710 is 1.4% of average load 0.117937 LDB: TIME 5609.66 LOAD: AVG 0.117937 MAX 0.1968 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 5609.66 LOAD: AVG 0.117937 MAX 0.1968 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.281 MB LDB: TIME 5609.66 LOAD: AVG 0.117937 MAX 0.1968 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.281 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5609.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5609.67 PRESSURE: 1884400 7.36168 -20.7124 58.7818 -20.7132 -8.95642 38.4972 58.7802 38.4967 -241.806 GPRESSURE: 1884400 57.2543 -3.79434 81.6855 -10.4243 7.97513 35.3349 75.7814 -7.14178 -199.712 PRESSAVG: 1884400 23.4674 -23.5586 0.191351 -23.5586 13.3565 -13.6082 0.191354 -13.6083 -18.3081 GPRESSAVG: 1884400 23.691 -24.6365 2.9438 -21.4681 14.8105 -12.8624 -0.19537 -13.078 -19.1735 TIMING: 1884400 CPU: 5606.54, 0.00302847/step Wall: 5606.54, 0.00302847/step, 2.62097 hours remaining, 206.968750 MB of memory in use. ENERGY: 1884400 757.0691 2082.7703 1965.1701 127.3404 -206369.2763 17658.4232 0.0000 0.0000 34129.9117 -149648.5915 298.0650 -183778.5033 -149558.0423 297.5129 -81.1337 -44.8274 556039.9508 6.1719 6.4426 PRESSURE: 1884600 -211.833 -45.1667 3.35685 -45.1664 8.4921 16.6606 3.35735 16.6622 -333.852 GPRESSURE: 1884600 -228.224 8.00706 -10.476 13.1572 46.5531 7.51033 17.3084 40.1158 -261.921 PRESSAVG: 1884600 -2.58095 -17.1773 -49.3422 -17.1773 -40.8055 32.4754 -49.3421 32.4754 -29.6152 GPRESSAVG: 1884600 -2.11153 -16.7332 -50.6767 -19.238 -42.4769 33.5183 -49.3415 31.0824 -28.7684 TIMING: 1884600 CPU: 5607.13, 0.00297516/step Wall: 5607.13, 0.00297516/step, 2.57467 hours remaining, 206.968750 MB of memory in use. ENERGY: 1884600 746.6717 2127.5399 1964.7415 102.6322 -206457.3291 17735.6829 0.0000 0.0000 34147.3926 -149632.6682 298.2177 -183780.0609 -149535.5637 297.8238 -179.0644 -147.8639 558321.0284 -24.3339 -24.4523 PRESSURE: 1884800 -93.8961 -109.976 199.262 -109.975 87.6482 16.7416 199.262 16.7424 -165.238 GPRESSURE: 1884800 -46.9678 -139.067 264.405 -182.111 85.5774 -1.03847 111.676 38.4356 -113.426 PRESSAVG: 1884800 52.721 -33.8612 29.2172 -33.8613 -27.9019 -21.1713 29.2172 -21.1714 5.9141 GPRESSAVG: 1884800 52.2431 -35.4947 31.2033 -34.5458 -26.9233 -22.0849 27.3677 -21.6049 5.50414 TIMING: 1884800 CPU: 5607.73, 0.00298603/step Wall: 5607.73, 0.00298603/step, 2.58391 hours remaining, 206.968750 MB of memory in use. ENERGY: 1884800 758.7655 2070.3525 1963.2871 114.2720 -206441.7217 17854.6376 0.0000 0.0000 34091.6757 -149588.7313 297.7311 -183680.4070 -149486.3119 298.0357 -57.1619 -24.9387 558909.4455 10.2444 10.2746 PRESSURE: 1885000 105.997 17.5546 -98.094 17.5545 -56.1556 -70.9371 -98.0947 -70.9377 -225.986 GPRESSURE: 1885000 128.588 -22.0608 -111.3 101.85 -27.8505 17.5161 -32.4134 -66.6477 -173.606 PRESSAVG: 1885000 15.365 -73.787 -25.3371 -73.7872 29.7398 16.9551 -25.3371 16.9551 -26.6228 GPRESSAVG: 1885000 14.9999 -72.9489 -27.05 -73.7766 30.3783 19.1529 -23.5234 18.426 -26.2011 TIMING: 1885000 CPU: 5608.33, 0.00299199/step Wall: 5608.33, 0.00299199/step, 2.5889 hours remaining, 206.968750 MB of memory in use. ENERGY: 1885000 743.0570 2104.5428 1967.5750 116.3151 -206399.8551 17767.8866 0.0000 0.0000 34119.4392 -149581.0393 297.9735 -183700.4785 -149483.1563 297.8138 -58.7147 -24.2896 556995.4802 6.1606 6.3924 PRESSURE: 1885200 -49.7232 110.267 100.309 110.267 -75.4424 40.053 100.308 40.0542 -307.804 GPRESSURE: 1885200 -69.7469 64.0547 74.6726 73.2338 -12.634 187.848 125.772 -53.2254 -271.845 PRESSAVG: 1885200 71.2942 -3.47271 56.8246 -3.47269 -15.8781 -34.4678 56.8247 -34.4677 -46.9204 GPRESSAVG: 1885200 71.4133 -1.83128 59.5632 -4.5719 -16.0144 -35.742 54.396 -36.6589 -46.7185 TIMING: 1885200 CPU: 5608.93, 0.00299486/step Wall: 5608.93, 0.00299486/step, 2.59122 hours remaining, 206.968750 MB of memory in use. ENERGY: 1885200 780.2572 2085.6816 1953.4534 122.1003 -206270.6715 17567.1038 0.0000 0.0000 34043.5910 -149718.4843 297.3111 -183762.0752 -149621.8352 297.4832 -144.3233 -118.0752 556814.4533 2.8319 2.8935 PRESSURE: 1885400 100.226 171.268 105.524 171.268 87.6276 -103.385 105.524 -103.386 115.458 GPRESSURE: 1885400 116.493 133.222 18.6631 157.47 100.601 -107.212 55.2791 34.5006 188.655 PRESSAVG: 1885400 -7.41527 -0.493616 -5.36574 -0.493649 34.5105 -12.4522 -5.36569 -12.4522 -58.7279 GPRESSAVG: 1885400 -7.61511 -2.60566 -9.52866 0.964126 33.8403 -12.2756 -2.59385 -9.56463 -58.3348 TIMING: 1885400 CPU: 5609.53, 0.00300433/step Wall: 5609.53, 0.00300433/step, 2.59925 hours remaining, 206.968750 MB of memory in use. ENERGY: 1885400 751.2279 2064.2604 1967.0524 98.1349 -206791.4249 18031.3282 0.0000 0.0000 34150.0323 -149729.3889 298.2407 -183879.4211 -149632.1474 297.7174 101.1040 135.2497 557572.9054 -10.5442 -10.7032 PRESSURE: 1885600 23.3109 31.0615 -77.1596 31.0605 -88.2095 -21.8957 -77.1605 -21.8974 -270.856 GPRESSURE: 1885600 41.6087 3.19563 11.2901 97.2061 -59.7847 -30.0196 -186.448 5.58522 -220.012 PRESSAVG: 1885600 37.921 -12.4315 1.30564 -12.4315 -20.1712 -24.2109 1.30563 -24.211 -34.1995 GPRESSAVG: 1885600 36.7775 -12.3299 4.22787 -12.9993 -20.462 -22.1388 -1.40699 -28.5012 -32.7825 TIMING: 1885600 CPU: 5610.12, 0.00297729/step Wall: 5610.12, 0.00297729/step, 2.57569 hours remaining, 206.968750 MB of memory in use. ENERGY: 1885600 772.3855 2096.8914 1929.1816 103.6995 -206365.4226 17734.9620 0.0000 0.0000 34080.8511 -149647.4515 297.6365 -183728.3026 -149542.0031 297.7687 -111.9183 -79.3958 558029.3626 -5.4833 -5.4890 PRESSURE: 1885800 324.43 96.9734 -1.29284 96.9756 -276.08 17.6838 -1.29261 17.6847 8.91261 GPRESSURE: 1885800 342.848 90.291 -57.2466 134.329 -280.991 77.2695 -14.7085 -84.9928 68.869 PRESSAVG: 1885800 54.2806 -11.3942 15.0581 -11.3943 -19.6889 -8.2539 15.058 -8.25386 9.09862 GPRESSAVG: 1885800 56.8044 -12.4108 15.6561 -10.9741 -19.4008 -10.3772 15.8303 -4.73953 6.91327 TIMING: 1885800 CPU: 5610.72, 0.00298604/step Wall: 5610.72, 0.00298604/step, 2.58309 hours remaining, 206.968750 MB of memory in use. ENERGY: 1885800 764.3728 2042.9770 1944.5419 113.8036 -206654.7485 18006.2051 0.0000 0.0000 34010.8932 -149771.9549 297.0256 -183782.8481 -149678.5656 298.0254 19.0873 43.5756 556692.5853 14.5634 14.7723 PRESSURE: 1886000 102.992 -23.1182 -48.88 -23.1185 10.0542 1.84389 -48.8796 1.84342 248.892 GPRESSURE: 1886000 146.95 15.1059 -19.9905 29.7744 49.9261 28.6866 -114.838 31.6242 267.735 PRESSAVG: 1886000 -3.08157 -18.5951 -35.9278 -18.5951 -15.6584 -18.3602 -35.9278 -18.3603 40.1349 GPRESSAVG: 1886000 -4.48719 -17.8276 -37.0642 -17.843 -15.2825 -18.4186 -35.5751 -19.5019 40.843 TIMING: 1886000 CPU: 5611.31, 0.0029668/step Wall: 5611.31, 0.0029668/step, 2.56628 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: 1886000 753.7623 2133.5159 1926.9172 124.2545 -207213.4795 18193.0174 0.0000 0.0000 34174.0287 -149907.9835 298.4503 -184082.0122 -149814.2069 297.9047 120.6460 154.8705 556737.9370 7.1317 7.0245 PRESSURE: 1886200 -114.107 57.4805 -69.9745 57.4804 -257.274 -53.7874 -69.9745 -53.7881 -398.438 GPRESSURE: 1886200 -119.783 70.6988 -33.7825 22.6383 -235.719 -45.8102 14.5117 40.0804 -309.373 PRESSAVG: 1886200 14.7354 2.38217 -52.9269 2.3821 44.5143 14.1132 -52.9269 14.1133 -78.1738 GPRESSAVG: 1886200 15.0421 2.2223 -53.1512 1.58779 44.3144 12.0653 -52.1796 15.714 -78.4931 TIMING: 1886200 CPU: 5611.91, 0.00299335/step Wall: 5611.91, 0.00299335/step, 2.58908 hours remaining, 206.968750 MB of memory in use. ENERGY: 1886200 770.5302 2080.4000 1938.9990 115.7283 -206391.0117 17737.7396 0.0000 0.0000 33985.2275 -149762.3871 296.8014 -183747.6146 -149669.7766 298.1090 -256.6063 -221.6248 559298.6209 -6.3080 -6.3788 PRESSURE: 1886400 52.6712 8.66754 30.1684 8.66871 -114.454 102.267 30.1689 102.267 -75.6425 GPRESSURE: 1886400 105.435 -5.95559 59.7335 -30.6617 -119.403 43.3385 11.2204 122.749 -18.2661 PRESSAVG: 1886400 4.87063 -6.99552 10.0841 -6.99554 58.4692 21.1844 10.0841 21.1845 -85.798 GPRESSAVG: 1886400 5.16109 -7.73101 9.75062 -6.34038 57.4903 21.7811 8.3837 21.0882 -85.186 TIMING: 1886400 CPU: 5612.51, 0.00300006/step Wall: 5612.51, 0.00300006/step, 2.59472 hours remaining, 206.968750 MB of memory in use. ENERGY: 1886400 728.0388 2120.0999 1967.7946 101.4968 -206512.7765 17899.3138 0.0000 0.0000 34051.6878 -149644.3448 297.3819 -183696.0326 -149551.9728 298.1006 -45.8086 -10.7446 558988.6010 -7.4860 -7.5115 PRESSURE: 1886600 172.762 85.6566 50.9623 85.657 80.0574 -84.1347 50.9609 -84.136 -9.15612 GPRESSURE: 1886600 193.393 113.624 39.0457 67.7748 97.8574 -120.433 62.1802 -49.1018 51.1886 PRESSAVG: 1886600 17.5361 32.3341 -9.99577 32.3341 64.0693 8.91058 -9.99579 8.91053 -95.1248 GPRESSAVG: 1886600 18.2899 31.8137 -12.3622 32.2635 62.821 11.3838 -5.92493 7.56183 -95.0221 TIMING: 1886600 CPU: 5613.11, 0.00299168/step Wall: 5613.11, 0.00299168/step, 2.5873 hours remaining, 206.968750 MB of memory in use. ENERGY: 1886600 746.7890 2046.7184 1961.3828 111.1108 -206551.5155 17848.3871 0.0000 0.0000 34141.7825 -149695.3450 298.1687 -183837.1275 -149597.2736 297.6929 81.2210 114.1463 556239.6640 -4.5064 -4.6371 PRESSURE: 1886800 -58.0812 -5.69634 23.3962 -5.69728 117.06 81.1869 23.3963 81.1863 80.1838 GPRESSURE: 1886800 30.1653 70.7165 28.6062 47.2818 96.0745 4.75769 63.3334 51.6408 101.221 PRESSAVG: 1886800 -94.0477 -19.41 22.1176 -19.4101 123.19 2.68426 22.1178 2.68433 -49.4689 GPRESSAVG: 1886800 -93.4728 -18.0472 22.984 -20.2934 123.665 1.34389 21.6854 1.81326 -50.7022 TIMING: 1886800 CPU: 5613.71, 0.00297628/step Wall: 5613.71, 0.00297628/step, 2.57382 hours remaining, 206.968750 MB of memory in use. ENERGY: 1886800 733.6557 2075.2233 1937.7195 117.5732 -206359.9157 17661.9825 0.0000 0.0000 33979.4524 -149854.3090 296.7510 -183833.7615 -149759.3948 297.3112 46.3874 75.8201 556918.7322 -6.7756 -6.8368 PRESSURE: 1887000 -33.5641 103.041 185.472 103.041 67.3811 169.737 185.472 169.736 -2.38927 GPRESSURE: 1887000 -24.657 184.848 114.757 62.7711 137.109 169.026 152.343 189.112 21.7827 PRESSAVG: 1887000 48.6035 14.8248 35.0364 14.8249 -22.8803 15.9564 35.0364 15.9563 -10.2318 GPRESSAVG: 1887000 47.5911 16.1112 36.2371 14.2651 -21.6685 14.5662 33.5975 18.139 -10.503 TIMING: 1887000 CPU: 5614.31, 0.00300474/step Wall: 5614.31, 0.00300474/step, 2.59827 hours remaining, 206.968750 MB of memory in use. ENERGY: 1887000 718.2940 2061.9895 1975.8397 113.4969 -206848.3048 17923.0519 0.0000 0.0000 34361.1678 -149694.4650 300.0846 -184055.6327 -149599.0813 298.0409 10.4759 44.7449 555646.7390 5.1638 5.1398 PRESSURE: 1887200 53.3251 -11.0152 -46.7709 -11.0159 -52.9152 -0.163896 -46.7704 -0.16366 -8.8843 GPRESSURE: 1887200 121.962 -139.441 -82.8129 41.1064 -47.4841 27.8263 -6.02345 -14.8447 9.92862 PRESSAVG: 1887200 -11.5188 28.488 15.2421 28.4879 -28.1759 36.8358 15.242 36.8357 30.1902 GPRESSAVG: 1887200 -11.5509 27.5861 13.6887 27.8045 -29.1937 37.033 16.1323 36.761 31.1897 TIMING: 1887200 CPU: 5614.9, 0.002988/step Wall: 5614.9, 0.002988/step, 2.58362 hours remaining, 206.968750 MB of memory in use. ENERGY: 1887200 772.8592 2072.3424 1956.5360 112.6264 -206473.9314 17841.4826 0.0000 0.0000 34241.5299 -149476.5549 299.0398 -183718.0847 -149385.6455 298.6696 -2.8248 28.1356 557233.9553 -3.1682 -3.1850 PRESSURE: 1887400 119.848 0.583217 -127.516 0.582495 -33.7001 -79.2899 -127.516 -79.2899 -74.2653 GPRESSURE: 1887400 174.044 58.0533 -97.6351 -46.1138 4.85377 -45.8523 -137.673 -203.933 -66.2401 PRESSAVG: 1887400 -19.1842 9.49879 -22.6326 9.49873 35.067 13.2411 -22.6327 13.241 35.1644 GPRESSAVG: 1887400 -18.7293 11.2991 -22.7476 9.48426 33.8948 13.9437 -23.9578 11.1514 35.2884 TIMING: 1887400 CPU: 5615.51, 0.0030024/step Wall: 5615.51, 0.0030024/step, 2.59591 hours remaining, 206.968750 MB of memory in use. ENERGY: 1887400 726.0258 2112.0052 1968.4900 119.1498 -206556.0660 17834.1356 0.0000 0.0000 34222.4978 -149573.7618 298.8736 -183796.2596 -149481.1969 298.5530 3.9607 37.5526 556346.0363 17.0157 16.8180 PRESSURE: 1887600 -473.156 9.88342 -8.09817 9.88262 -4.55379 163.984 -8.09916 163.982 -110.757 GPRESSURE: 1887600 -452.981 80.8344 30.2522 63.7773 59.0173 131.675 10.7248 159.39 -94.0607 PRESSAVG: 1887600 -90.4739 14.7992 -59.9275 14.7991 51.0722 16.5531 -59.9275 16.5531 40.1453 GPRESSAVG: 1887600 -90.7726 15.4406 -57.6842 15.3495 50.8516 17.7903 -59.9902 16.3241 39.7961 TIMING: 1887600 CPU: 5616.11, 0.00300055/step Wall: 5616.11, 0.00300055/step, 2.59414 hours remaining, 206.968750 MB of memory in use. ENERGY: 1887600 773.1602 2074.7033 1943.7731 122.4555 -206338.3708 17594.7874 0.0000 0.0000 34292.2466 -149537.2446 299.4827 -183829.4912 -149446.2516 298.9777 -196.1556 -162.6750 555829.4952 0.2479 -0.0416 PRESSURE: 1887800 20.1256 145.931 52.5962 145.929 220.533 -67.8506 52.5964 -67.8507 128.771 GPRESSURE: 1887800 91.7441 102.247 126.138 88.733 195.555 -138.604 56.6648 -49.594 183.511 PRESSAVG: 1887800 4.15194 -12.0681 -7.83507 -12.0681 43.7686 -4.08051 -7.83502 -4.08041 -23.3434 GPRESSAVG: 1887800 4.98288 -14.1469 -10.1112 -13.6405 44.1165 -6.27476 -7.37442 -2.71896 -24.1596 TIMING: 1887800 CPU: 5616.7, 0.00299371/step Wall: 5616.7, 0.00299371/step, 2.58806 hours remaining, 206.968750 MB of memory in use. ENERGY: 1887800 759.1038 2112.7357 1921.7506 101.2748 -206178.3084 17910.7649 0.0000 0.0000 34076.3666 -149296.3120 297.5974 -183372.6786 -149204.9059 298.8942 123.1433 156.9367 557759.9364 8.1924 8.3133 PRESSURE: 1888000 222.945 -20.0143 -179.046 -20.0138 9.55571 30.6512 -179.045 30.6514 332.986 GPRESSURE: 1888000 250.998 -46.2333 -85.6156 4.51552 88.1751 46.1969 -155.665 75.2275 319.352 PRESSAVG: 1888000 108.937 -31.2551 35.4441 -31.255 -18.8024 13.3187 35.4441 13.3187 -32.3946 GPRESSAVG: 1888000 107.905 -31.834 37.5462 -30.2916 -18.9175 13.5643 35.1418 14.1613 -31.5752 TIMING: 1888000 CPU: 5617.3, 0.00299159/step Wall: 5617.3, 0.00299159/step, 2.58606 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: 1888000 709.5824 2139.6059 1954.8258 112.5400 -206405.5833 18062.1111 0.0000 0.0000 34188.5340 -149238.3841 298.5770 -183426.9182 -149140.5425 298.5044 188.4957 219.5085 557640.7582 19.2465 19.1376 PRESSURE: 1888200 98.1616 -79.8322 -39.3876 -79.8323 76.7341 -161.197 -39.3872 -161.196 -486.659 GPRESSURE: 1888200 155.448 21.869 3.37294 -102.013 66.8958 -168.771 -106.382 -191.024 -433.912 PRESSAVG: 1888200 19.1273 -35.6382 -37.4305 -35.6383 -1.50179 4.23188 -37.4305 4.23198 -40.4867 GPRESSAVG: 1888200 18.8718 -35.9377 -36.9585 -35.2671 -1.44894 3.6419 -37.9981 3.82568 -40.2949 TIMING: 1888200 CPU: 5617.9, 0.00300575/step Wall: 5617.9, 0.00300575/step, 2.59814 hours remaining, 206.968750 MB of memory in use. ENERGY: 1888200 755.4719 2077.1053 1978.6590 109.3791 -206184.2694 17683.3131 0.0000 0.0000 34388.8851 -149191.4558 300.3267 -183580.3409 -149092.8882 298.9864 -103.9209 -70.5228 558014.1261 -7.6204 -7.6240 LDB: ============= START OF LOAD BALANCING ============== 5621.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5621.34 LDB: =============== DONE WITH MIGRATION ================ 5621.34 LDB: ============= START OF LOAD BALANCING ============== 5621.64 LDB: Largest compute 4847 load 0.024969 is 21.2% of average load 0.117998 LDB: Average compute 0.001721 is 1.5% of average load 0.117998 LDB: TIME 5621.64 LOAD: AVG 0.117998 MAX 0.2044 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 5621.65 LOAD: AVG 0.117998 MAX 0.2044 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.336 MB LDB: TIME 5621.65 LOAD: AVG 0.117998 MAX 0.2044 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5621.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5621.65 PRESSURE: 1888400 -67.586 -5.50329 68.5285 -5.5032 26.2259 2.39792 68.5286 2.39772 48.5412 GPRESSURE: 1888400 -46.5261 -26.4979 -9.50172 -51.5787 67.4791 -45.8337 78.4726 113.741 82.5572 PRESSAVG: 1888400 -1.15315 60.7439 -27.1764 60.7438 8.00697 -34.6546 -27.1764 -34.6547 6.87215 GPRESSAVG: 1888400 -1.19381 62.6878 -28.962 60.8748 7.74103 -33.2451 -27.354 -35.0919 6.67456 TIMING: 1888400 CPU: 5618.52, 0.00309339/step Wall: 5618.52, 0.00309339/step, 2.67372 hours remaining, 207.152344 MB of memory in use. ENERGY: 1888400 751.6020 2062.6875 1948.2836 113.3105 -206065.4677 17793.4510 0.0000 0.0000 34350.5094 -149045.6237 299.9915 -183396.1330 -148953.7041 299.2459 2.3937 34.5034 557773.4095 4.5753 4.4073 PRESSURE: 1888600 -196.273 26.9894 47.7393 26.9909 -128.32 87.1665 47.7391 87.1687 119.888 GPRESSURE: 1888600 -207.913 -49.4431 9.55767 27.3115 -47.8093 100.957 82.694 73.0281 149.269 PRESSAVG: 1888600 -37.2514 -36.2988 10.5606 -36.2988 23.1729 22.3814 10.5606 22.3814 35.9887 GPRESSAVG: 1888600 -37.6479 -36.7518 10.9796 -35.337 23.5704 22.8133 9.64351 20.724 36.4766 TIMING: 1888600 CPU: 5619.13, 0.00301748/step Wall: 5619.13, 0.00301748/step, 2.60794 hours remaining, 207.351562 MB of memory in use. ENERGY: 1888600 738.1240 2187.4853 1972.8644 121.4160 -206415.8366 17808.1979 0.0000 0.0000 34377.9299 -149209.8191 300.2310 -183587.7490 -149122.0765 299.3876 -68.2354 -35.4843 558596.5245 7.3034 7.4664 PRESSURE: 1888800 69.6859 126.743 -128.123 126.743 1.37865 -49.3866 -128.122 -49.3867 16.9392 GPRESSURE: 1888800 115.219 149.125 -29.9916 155.536 28.665 -135.463 -145.758 -8.84524 30.2933 PRESSAVG: 1888800 -34.1491 -7.7409 -38.6785 -7.74099 -18.7041 41.3871 -38.6784 41.387 72.0696 GPRESSAVG: 1888800 -33.859 -8.0265 -39.2721 -9.2343 -18.2105 39.3184 -38.7992 43.7659 71.3023 TIMING: 1888800 CPU: 5619.72, 0.00299209/step Wall: 5619.72, 0.00299209/step, 2.58583 hours remaining, 207.351562 MB of memory in use. ENERGY: 1888800 735.5861 2123.8063 1951.7272 113.3333 -206192.9873 17873.1457 0.0000 0.0000 34289.2591 -149106.1297 299.4566 -183395.3888 -149006.9547 299.7763 29.3346 58.0591 556555.0564 6.4055 6.4109 PRESSURE: 1889000 96.7892 105.971 -131.742 105.971 -5.63599 -181.961 -131.743 -181.961 89.44 GPRESSURE: 1889000 148.603 93.1154 -199.021 -16.2789 29.2931 -162.723 -174.205 -183.926 105.459 PRESSAVG: 1889000 26.3405 36.4007 -43.4041 36.4007 -23.5001 17.0672 -43.4042 17.0673 16.5053 GPRESSAVG: 1889000 25.8282 34.6891 -42.3331 38.7332 -23.5469 17.7066 -41.7988 16.9514 17.2911 TIMING: 1889000 CPU: 5620.32, 0.00298876/step Wall: 5620.32, 0.00298876/step, 2.58278 hours remaining, 207.351562 MB of memory in use. ENERGY: 1889000 709.0730 2072.4023 1970.4428 116.3502 -206267.5072 17891.3343 0.0000 0.0000 34386.4791 -149121.4255 300.3057 -183507.9046 -149026.5106 299.5163 60.1977 94.4516 558384.4015 6.4485 6.5241 PRESSURE: 1889200 39.7284 -121.701 83.5692 -121.7 268.679 11.2189 83.5681 11.2182 144.308 GPRESSURE: 1889200 107.93 -227.569 85.8666 -44.4227 292.418 54.1698 80.6247 -12.8225 147.886 PRESSAVG: 1889200 2.76134 -7.68022 -14.1159 -7.68014 33.1766 -3.8412 -14.116 -3.8412 -6.71084 GPRESSAVG: 1889200 3.3292 -8.85782 -15.3063 -9.92787 32.0636 -4.57001 -14.5867 -4.23303 -6.23278 TIMING: 1889200 CPU: 5620.92, 0.0029717/step Wall: 5620.92, 0.0029717/step, 2.56788 hours remaining, 207.351562 MB of memory in use. ENERGY: 1889200 741.0093 2063.9615 1967.8291 112.1346 -206542.3088 18054.1478 0.0000 0.0000 34336.8084 -149266.4181 299.8719 -183603.2265 -149161.8349 298.8876 150.9051 182.7448 558409.9271 9.7424 9.7200 PRESSURE: 1889400 15.4916 -2.41856 161.006 -2.41967 -43.8675 -116.045 161.006 -116.044 -239.443 GPRESSURE: 1889400 89.7476 76.4081 130.48 -98.8898 -3.60189 -96.3499 185.883 -41.2749 -266.573 PRESSAVG: 1889400 14.1857 21.0212 -25.7396 21.0211 -12.0488 -5.13255 -25.7396 -5.13254 4.66353 GPRESSAVG: 1889400 15.2646 22.3263 -24.6537 20.0496 -11.2473 -4.12116 -25.1942 -3.53025 3.08732 TIMING: 1889400 CPU: 5621.51, 0.00296579/step Wall: 5621.51, 0.00296579/step, 2.56261 hours remaining, 207.351562 MB of memory in use. ENERGY: 1889400 723.3075 2119.1963 1971.5974 112.8868 -206312.0622 17634.1521 0.0000 0.0000 34424.4418 -149326.4803 300.6372 -183750.9221 -149229.3399 298.7488 -89.2729 -60.1425 556914.6171 2.2668 2.3682 PRESSURE: 1889600 34.0744 -104.91 -31.641 -104.91 -191.564 14.7573 -31.6422 14.7581 -41.5205 GPRESSURE: 1889600 40.0808 -17.8688 -43.4805 -187.159 -200.687 41.315 20.9125 31.2803 43.5948 PRESSAVG: 1889600 -39.243 7.74051 -12.6633 7.74044 55.8551 -24.6057 -12.6632 -24.6057 -31.121 GPRESSAVG: 1889600 -39.3928 8.95464 -11.6957 7.38249 55.7904 -22.5288 -14.3694 -25.9186 -30.9883 TIMING: 1889600 CPU: 5622.1, 0.00296152/step Wall: 5622.1, 0.00296152/step, 2.55875 hours remaining, 207.351562 MB of memory in use. ENERGY: 1889600 769.4773 2096.2060 1951.9617 107.0321 -206407.2457 17901.9264 0.0000 0.0000 34166.4673 -149414.1748 298.3843 -183580.6422 -149313.7780 298.8524 -66.3368 -39.0040 557799.8778 -4.8363 -4.8636 PRESSURE: 1889800 -252.133 101.612 -118.862 101.614 -33.7621 -36.227 -118.861 -36.2277 -71.9514 GPRESSURE: 1889800 -197.658 136.983 -139.542 106.006 -3.02691 -56.7181 -118.441 -21.458 -64.9265 PRESSAVG: 1889800 -38.6246 -3.2888 -56.6685 -3.28882 -25.313 -31.1429 -56.6683 -31.1429 36.3806 GPRESSAVG: 1889800 -39.0181 -3.22192 -57.5148 -2.92556 -25.088 -31.8215 -57.3281 -30.9197 36.8368 TIMING: 1889800 CPU: 5622.7, 0.00296854/step Wall: 5622.7, 0.00296854/step, 2.56465 hours remaining, 207.351562 MB of memory in use. ENERGY: 1889800 741.1688 2076.2270 1946.9905 118.5693 -206547.8696 17873.2148 0.0000 0.0000 34314.9948 -149476.7045 299.6814 -183791.6993 -149378.4201 298.5586 -119.2820 -88.5370 557592.4166 -9.1857 -9.0898 PRESSURE: 1890000 -181.622 -67.802 -73.6119 -67.8019 -238.385 -48.6925 -73.6117 -48.6923 -122.3 GPRESSURE: 1890000 -200.152 -64.4881 -134.871 -94.6895 -221.052 -112.923 -44.8725 -10.6727 -15.614 PRESSAVG: 1890000 -37.6362 -18.9533 -19.6113 -18.9533 -19.2644 11.7141 -19.6113 11.7142 71.0205 GPRESSAVG: 1890000 -38.4961 -17.9886 -21.3642 -18.0286 -17.283 9.30948 -18.1815 11.9579 69.9366 TIMING: 1890000 CPU: 5623.29, 0.00299018/step Wall: 5623.29, 0.00299018/step, 2.58318 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: 1890000 778.8548 2138.0814 1928.7001 100.2863 -206274.3991 17708.6052 0.0000 0.0000 34277.1782 -149342.6931 299.3511 -183619.8713 -149248.2763 298.9524 -180.7691 -145.6060 558127.5077 4.7066 4.7192 PRESSURE: 1890200 -265.8 39.0251 -26.1937 39.0259 -297.327 -24.738 -26.1946 -24.7365 11.2084 GPRESSURE: 1890200 -202.418 15.6608 8.3649 46.4009 -284.018 -66.5265 -12.2565 -41.0487 38.8082 PRESSAVG: 1890200 -16.2384 -34.2626 -35.4985 -34.2625 38.8741 81.0583 -35.4986 81.0582 -2.77017 GPRESSAVG: 1890200 -14.5615 -35.0896 -33.7808 -37.2088 36.5486 80.2842 -34.8136 83.9555 -1.84542 TIMING: 1890200 CPU: 5623.89, 0.00299529/step Wall: 5623.89, 0.00299529/step, 2.58743 hours remaining, 207.351562 MB of memory in use. ENERGY: 1890200 766.0356 2107.5583 1945.1057 105.0540 -205980.5384 17573.4022 0.0000 0.0000 34234.1413 -149249.2412 298.9753 -183483.3826 -149148.5132 299.3078 -183.9727 -149.2092 557511.3852 6.6218 6.7139 PRESSURE: 1890400 36.0499 79.5492 -19.6252 79.5489 -161.657 -38.5418 -19.6256 -38.5426 -144.851 GPRESSURE: 1890400 65.9597 140.304 37.6398 51.2649 -121.716 -19.657 -1.74207 14.0174 -115.454 PRESSAVG: 1890400 25.1412 31.9118 -5.36302 31.9118 -37.4836 43.5107 -5.36302 43.5106 30.8498 GPRESSAVG: 1890400 24.1368 31.8634 -7.66265 33.2499 -37.4542 45.06 -4.42663 39.6024 31.1325 TIMING: 1890400 CPU: 5624.49, 0.00299332/step Wall: 5624.49, 0.00299332/step, 2.58557 hours remaining, 207.351562 MB of memory in use. ENERGY: 1890400 751.7874 2126.9281 1972.1316 117.9323 -206076.9211 17738.9946 0.0000 0.0000 34047.3765 -149321.7706 297.3442 -183369.1472 -149228.2049 299.5189 -90.1528 -57.0703 557552.3432 6.1691 5.9384 PRESSURE: 1890600 211.173 7.5802 51.7404 7.58051 -112.051 62.9201 51.7403 62.9217 101.827 GPRESSURE: 1890600 244.328 73.6438 104.927 19.6972 -101.814 70.5711 -23.6091 23.3225 155.033 PRESSAVG: 1890600 27.0891 4.76018 -61.5946 4.7601 -94.5358 -59.857 -61.5947 -59.857 39.7393 GPRESSAVG: 1890600 26.408 3.71926 -58.7947 4.79348 -93.9425 -59.8801 -65.1244 -60.1859 39.6485 TIMING: 1890600 CPU: 5625.09, 0.0029871/step Wall: 5625.09, 0.0029871/step, 2.58002 hours remaining, 207.351562 MB of memory in use. ENERGY: 1890600 712.3601 2129.2430 1940.6421 113.6978 -206864.4543 18220.2662 0.0000 0.0000 34343.7657 -149404.4794 299.9326 -183748.2450 -149305.0623 299.1300 66.9832 99.1824 558465.8104 -9.2358 -9.2953 PRESSURE: 1890800 -158.317 -316.449 21.3048 -316.451 -16.9109 198.868 21.3051 198.867 -305.623 GPRESSURE: 1890800 -121.328 -301.145 9.19756 -307.993 34.2945 116.085 17.5978 188.562 -284.41 PRESSAVG: 1890800 77.2337 -2.6498 -3.47478 -2.64983 -45.0523 -36.5432 -3.47486 -36.5432 -9.58525 GPRESSAVG: 1890800 78.4455 -0.818347 -6.55743 -1.49058 -45.1883 -33.9361 -2.43696 -36.1755 -10.0478 TIMING: 1890800 CPU: 5625.68, 0.00297162/step Wall: 5625.68, 0.00297162/step, 2.56649 hours remaining, 207.351562 MB of memory in use. ENERGY: 1890800 745.4250 2133.9391 1962.8533 110.0000 -206364.5569 17846.9915 0.0000 0.0000 34274.6595 -149290.6885 299.3291 -183565.3480 -149192.2817 298.9886 -160.2835 -123.8145 557619.8884 7.5320 7.7365 PRESSURE: 1891000 38.278 198.836 45.0204 198.837 -73.0347 127.354 45.0199 127.355 29.1686 GPRESSURE: 1891000 111.859 188.803 83.5444 139.807 -114.497 57.2778 8.48598 171.723 105.495 PRESSAVG: 1891000 7.47669 33.2394 -6.11867 33.2394 5.29263 29.9373 -6.11865 29.9374 -52.0439 GPRESSAVG: 1891000 7.3126 31.7136 -4.85734 32.3843 4.37455 28.6304 -6.94338 28.9477 -51.041 TIMING: 1891000 CPU: 5626.28, 0.00297799/step Wall: 5626.28, 0.00297799/step, 2.57183 hours remaining, 207.351562 MB of memory in use. ENERGY: 1891000 740.9574 2078.0388 1946.1543 108.9499 -206164.1336 17929.1586 0.0000 0.0000 34123.8186 -149237.0560 298.0118 -183360.8746 -149139.5281 299.5408 -1.8627 34.2858 558987.9443 -13.0915 -13.1179 PRESSURE: 1891200 -197.918 -41.4525 95.6788 -41.4518 -388.975 -150.279 95.6773 -150.279 -282.705 GPRESSURE: 1891200 -178.801 -3.19941 52.4 -22.2763 -348.137 -207.851 24.8209 -117.688 -245.338 PRESSAVG: 1891200 37.1679 36.0452 40.9537 36.0451 -70.3855 45.1824 40.9538 45.1825 30.2238 GPRESSAVG: 1891200 37.8108 38.2333 41.1196 38.6017 -69.0934 43.1267 41.3373 47.1042 28.7448 TIMING: 1891200 CPU: 5626.87, 0.00295398/step Wall: 5626.87, 0.00295398/step, 2.55093 hours remaining, 207.351562 MB of memory in use. ENERGY: 1891200 732.5081 2104.4759 1972.1450 121.8073 -206023.0663 17434.5855 0.0000 0.0000 34423.6307 -149233.9139 300.6301 -183657.5446 -149128.9029 298.6107 -289.8658 -257.4251 558172.5403 -0.9979 -0.8460 PRESSURE: 1891400 232.264 -58.4616 -22.3875 -58.4627 34.8697 -161.668 -22.3874 -161.667 153.402 GPRESSURE: 1891400 262.23 -72.1094 29.2695 -31.191 92.71 -157.039 -49.5678 -93.6472 178.021 PRESSAVG: 1891400 12.8048 -72.1098 62.9805 -72.1098 -32.6259 -44.31 62.9806 -44.31 5.7418 GPRESSAVG: 1891400 13.6088 -73.7851 63.7084 -72.28 -33.2418 -44.0538 63.5172 -45.3311 6.48046 TIMING: 1891400 CPU: 5627.46, 0.00296657/step Wall: 5627.46, 0.00296657/step, 2.56163 hours remaining, 207.351562 MB of memory in use. ENERGY: 1891400 744.0347 2059.2649 1945.0307 118.8603 -206774.7858 18236.9262 0.0000 0.0000 34282.1194 -149388.5496 299.3943 -183670.6690 -149291.6816 298.7609 140.1786 177.6539 558185.9165 -4.6931 -4.3842 PRESSURE: 1891600 119.369 -24.7957 -38.7026 -24.7958 -12.8517 203.396 -38.7026 203.396 -40.5267 GPRESSURE: 1891600 120.637 -6.86338 -29.3242 51.2663 17.4443 204.824 -109.56 273.282 33.4805 PRESSAVG: 1891600 5.89727 6.35157 18.8389 6.35165 -58.2066 -19.5687 18.8391 -19.5687 35.3554 GPRESSAVG: 1891600 4.38858 7.99905 17.1724 3.81695 -57.3142 -18.5933 17.5803 -19.2469 35.6983 TIMING: 1891600 CPU: 5628.05, 0.00296151/step Wall: 5628.05, 0.00296151/step, 2.5571 hours remaining, 207.351562 MB of memory in use. ENERGY: 1891600 744.5359 2051.4418 1951.2211 110.1183 -206651.1434 18126.0371 0.0000 0.0000 34230.5915 -149437.1978 298.9443 -183667.7893 -149346.6334 298.7412 21.9968 57.1874 557889.9798 -5.6513 -5.7424 PRESSURE: 1891800 103.837 7.1728 -128.607 7.17201 -82.1506 -120.526 -128.607 -120.526 238.303 GPRESSURE: 1891800 186.259 75.9025 -117.023 -42.1299 -96.8237 -153.215 -124.407 -161.022 274.502 PRESSAVG: 1891800 -4.81388 4.18341 55.9748 4.18351 -26.1623 -31.6055 55.9748 -31.6055 62.4678 GPRESSAVG: 1891800 -3.9646 4.25489 56.024 5.18492 -27.2466 -33.0575 56.8128 -31.3624 62.8474 TIMING: 1891800 CPU: 5628.65, 0.00297724/step Wall: 5628.65, 0.00297724/step, 2.57051 hours remaining, 207.351562 MB of memory in use. ENERGY: 1891800 729.6643 2033.0182 1947.5190 115.6250 -206543.4679 18022.1103 0.0000 0.0000 34187.9980 -149507.5331 298.5723 -183695.5311 -149412.1217 298.5929 86.6631 121.3126 557351.1752 10.4972 10.5454 PRESSURE: 1892000 -220.414 -21.9782 -7.82805 -21.9783 -179.353 -107.149 -7.82878 -107.149 -22.6781 GPRESSURE: 1892000 -162.321 42.6528 -3.28356 -46.4355 -147.822 -123.622 -19.2472 -73.21 -29.9925 PRESSAVG: 1892000 -30.3205 14.3337 48.3737 14.3337 9.64185 32.1635 48.3737 32.1634 28.2502 GPRESSAVG: 1892000 -30.1301 11.5385 50.4147 14.8086 10.5613 33.6791 48.8096 29.9662 26.8676 TIMING: 1892000 CPU: 5629.24, 0.00296997/step Wall: 5629.24, 0.00296997/step, 2.56407 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: 1892000 738.0768 2049.3958 1970.4978 104.2078 -205823.9178 17485.9472 0.0000 0.0000 34066.9683 -149408.8241 297.5153 -183475.7924 -149316.4344 298.0891 -140.8148 -113.3785 558390.7705 2.5238 2.4329 PRESSURE: 1892200 -106.904 -177.797 144.743 -177.797 -454.312 91.2663 144.743 91.2653 109.673 GPRESSURE: 1892200 -54.5143 -245.127 205.992 -135.593 -423.241 140.325 120.205 -0.982651 125.438 PRESSAVG: 1892200 -48.4212 -48.2207 75.3825 -48.2208 -15.3806 -34.4827 75.3825 -34.4827 84.9915 GPRESSAVG: 1892200 -48.1453 -48.4435 75.0883 -46.5384 -17.0204 -32.3613 73.1421 -33.649 86.1286 TIMING: 1892200 CPU: 5629.84, 0.0029612/step Wall: 5629.84, 0.0029612/step, 2.55634 hours remaining, 207.351562 MB of memory in use. ENERGY: 1892200 750.2033 2051.3639 1937.7057 101.3341 -206093.0862 17507.8131 0.0000 0.0000 34385.0938 -149359.5724 300.2936 -183744.6662 -149269.9207 298.3908 -150.5147 -117.4391 558405.1094 7.0632 6.9877 LDB: ============= START OF LOAD BALANCING ============== 5633.26 LDB: ============== END OF LOAD BALANCING =============== 5633.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5633.27 LDB: ============= START OF LOAD BALANCING ============== 5633.57 LDB: Largest compute 4847 load 0.024521 is 20.8% of average load 0.118041 LDB: Average compute 0.001712 is 1.4% of average load 0.118041 LDB: TIME 5633.57 LOAD: AVG 0.118041 MAX 0.200548 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 5633.57 LOAD: AVG 0.118041 MAX 0.200548 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 5633.57 LOAD: AVG 0.118041 MAX 0.200548 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: ============== END OF LOAD BALANCING =============== 5633.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5633.57 PRESSURE: 1892400 -93.9954 -53.2398 -80.9052 -53.238 66.4305 61.1637 -80.9051 61.1634 -318.328 GPRESSURE: 1892400 -91.9971 -15.4962 7.48051 -6.82366 68.9707 58.3031 -84.9776 104.485 -216.07 PRESSAVG: 1892400 22.5636 -31.2663 21.5281 -31.2663 -17.4588 -49.6238 21.5281 -49.6239 -14.7115 GPRESSAVG: 1892400 22.5988 -28.3436 19.5856 -32.4219 -17.3127 -51.3775 22.8647 -50.1577 -14.9343 TIMING: 1892400 CPU: 5630.45, 0.00304318/step Wall: 5630.45, 0.00304318/step, 2.62694 hours remaining, 206.710938 MB of memory in use. ENERGY: 1892400 722.3970 2083.8898 1949.2972 105.6926 -206167.1793 17744.4954 0.0000 0.0000 34229.9937 -149331.4136 298.9390 -183561.4073 -149240.6518 298.8146 -115.2976 -79.6988 557389.3986 -3.2022 -3.2161 PRESSURE: 1892600 -148.735 -75.2641 -125.474 -75.2651 81.1345 -139.115 -125.474 -139.115 -85.8753 GPRESSURE: 1892600 -123.467 -4.00853 -97.9778 -17.7601 75.059 -205.081 -106.157 -95.8055 -20.0576 PRESSAVG: 1892600 7.83628 6.62215 38.6565 6.62218 -13.8721 10.0754 38.6564 10.0753 -14.0478 GPRESSAVG: 1892600 8.27991 4.80548 40.1355 8.69923 -13.8174 8.84015 37.0056 11.1947 -14.7467 TIMING: 1892600 CPU: 5631.04, 0.00299413/step Wall: 5631.04, 0.00299413/step, 2.58443 hours remaining, 206.910156 MB of memory in use. ENERGY: 1892600 739.3271 2074.5385 1956.4608 106.2331 -206266.3145 17867.3917 0.0000 0.0000 34212.0320 -149310.3313 298.7822 -183522.3633 -149215.6429 298.6628 -51.1585 -22.8220 557004.2674 -6.6945 -6.7614 PRESSURE: 1892800 -28.9545 -14.3947 -37.3988 -14.3942 85.9179 84.4059 -37.398 84.4048 151.563 GPRESSURE: 1892800 -11.716 -34.0423 -65.6822 -63.4697 69.042 59.4836 21.988 85.2991 245.305 PRESSAVG: 1892800 -40.6692 -42.2828 48.2099 -42.2828 -8.71218 -42.3195 48.2097 -42.3196 17.6779 GPRESSAVG: 1892800 -41.0113 -43.4748 47.5626 -45.3765 -8.95285 -44.0041 49.3573 -42.2039 18.3016 TIMING: 1892800 CPU: 5631.64, 0.00296834/step Wall: 5631.64, 0.00296834/step, 2.562 hours remaining, 206.910156 MB of memory in use. ENERGY: 1892800 738.8463 2086.8175 1968.1472 120.7336 -206235.0704 17928.3661 0.0000 0.0000 34128.5707 -149263.5889 298.0533 -183392.1596 -149169.4473 299.1710 69.5089 100.8769 558320.4389 -10.5678 -10.5542 PRESSURE: 1893000 148.541 -19.9116 36.9156 -19.9125 59.1458 -123.895 36.9152 -123.895 -71.5326 GPRESSURE: 1893000 222.637 28.1212 -6.38614 -12.063 65.1912 -114.349 84.9505 -150.847 -71.4966 PRESSAVG: 1893000 23.6126 7.37868 43.8897 7.37867 -21.7311 25.078 43.8896 25.078 67.6574 GPRESSAVG: 1893000 22.426 8.85409 46.1719 8.90543 -19.7326 25.3416 44.373 27.2086 66.4054 TIMING: 1893000 CPU: 5632.24, 0.00299516/step Wall: 5632.24, 0.00299516/step, 2.58499 hours remaining, 206.910156 MB of memory in use. ENERGY: 1893000 765.5644 2083.7006 1937.3922 122.6159 -206460.3472 17905.7205 0.0000 0.0000 34301.6164 -149343.7372 299.5645 -183645.3536 -149251.5328 299.1355 45.3846 72.1106 556768.6346 23.1796 23.0329 PRESSURE: 1893200 61.8101 114.751 19.4158 114.75 6.74702 21.5399 19.4153 21.5393 220.068 GPRESSURE: 1893200 139.397 64.3644 -44.4706 81.0298 -16.8504 58.1766 -46.179 107.298 267.898 PRESSAVG: 1893200 -21.7854 15.7548 30.2704 15.7547 6.66654 3.18327 30.2704 3.18337 16.4702 GPRESSAVG: 1893200 -21.4811 16.3478 27.7589 14.9061 5.21697 4.72006 30.1288 1.61304 17.4758 TIMING: 1893200 CPU: 5632.83, 0.00298061/step Wall: 5632.83, 0.00298061/step, 2.57227 hours remaining, 206.910156 MB of memory in use. ENERGY: 1893200 757.8760 2119.7458 1962.0844 115.7076 -206342.1674 17839.1130 0.0000 0.0000 34138.7853 -149408.8554 298.1425 -183547.6407 -149312.7517 298.7246 96.2083 130.1481 557088.7836 0.4504 0.4039 PRESSURE: 1893400 30.7606 61.9463 116.38 61.9483 -223.783 78.1745 116.38 78.1747 263.88 GPRESSURE: 1893400 64.3282 -29.4838 62.979 69.0985 -155.041 1.46808 103.234 72.9635 263.302 PRESSAVG: 1893400 -9.28239 48.6297 10.0914 48.6297 -111.664 -19.2573 10.0915 -19.2572 71.6687 GPRESSAVG: 1893400 -7.76 46.9907 10.8484 48.7799 -113.497 -18.7914 10.5521 -17.418 72.0407 TIMING: 1893400 CPU: 5633.42, 0.00295626/step Wall: 5633.42, 0.00295626/step, 2.55109 hours remaining, 206.910156 MB of memory in use. ENERGY: 1893400 785.9868 2085.0813 1939.7872 122.3199 -206673.5877 18108.4534 0.0000 0.0000 34267.5262 -149364.4330 299.2668 -183631.9592 -149269.4678 298.9944 23.6191 57.5296 557928.1838 -16.4259 -16.4055 PRESSURE: 1893600 -228.923 97.8815 -40.2445 97.8823 -239.34 -38.8028 -40.2459 -38.8038 26.4681 GPRESSURE: 1893600 -181.144 41.7858 -9.07675 32.5478 -226.788 30.1444 2.89091 -59.8558 80.316 PRESSAVG: 1893600 -107.203 -26.3232 35.9592 -26.3232 -44.2486 30.0612 35.9591 30.0613 126.952 GPRESSAVG: 1893600 -106.873 -25.7589 35.0515 -27.8004 -43.2329 29.5067 36.7888 29.9907 125.029 TIMING: 1893600 CPU: 5634.01, 0.0029401/step Wall: 5634.01, 0.0029401/step, 2.53698 hours remaining, 206.910156 MB of memory in use. ENERGY: 1893600 725.8699 2160.9540 1952.8347 118.0932 -206093.5275 17548.3477 0.0000 0.0000 34359.5501 -149227.8781 300.0705 -183587.4282 -149130.7128 298.7690 -147.2650 -109.2052 557265.0500 -8.1663 -8.3587 PRESSURE: 1893800 101.297 90.3131 140.868 90.3141 -105.084 123.286 140.867 123.285 -234.061 GPRESSURE: 1893800 161.451 52.2512 162.064 139.678 -140.031 92.6425 149.465 103.615 -160.288 PRESSAVG: 1893800 37.1098 8.03278 7.737 8.03273 -13.52 40.9071 7.73702 40.907 53.3009 GPRESSAVG: 1893800 35.6803 6.66845 9.58214 8.64548 -13.6165 41.2211 5.45838 39.4439 55.5109 TIMING: 1893800 CPU: 5634.61, 0.00298389/step Wall: 5634.61, 0.00298389/step, 2.5746 hours remaining, 206.910156 MB of memory in use. ENERGY: 1893800 736.1846 2107.6895 1957.8428 114.3135 -206335.4061 17868.0751 0.0000 0.0000 34230.2870 -149321.0136 298.9416 -183551.3006 -149220.7819 299.3365 -79.2826 -46.2896 559089.3830 25.6302 25.8582 PRESSURE: 1894000 119.9 -10.5224 -210.188 -10.523 -225.137 28.4617 -210.189 28.4607 -50.5162 GPRESSURE: 1894000 152.059 25.865 -140.816 62.4434 -170.679 -31.5488 -236.122 3.95226 -32.821 PRESSAVG: 1894000 51.3344 45.3272 -18.6837 45.3272 2.10565 26.5863 -18.6836 26.5862 -33.1969 GPRESSAVG: 1894000 50.9301 45.8897 -19.2013 45.8622 3.06416 26.2837 -16.5863 24.248 -34.7529 TIMING: 1894000 CPU: 5635.21, 0.0030097/step Wall: 5635.21, 0.0030097/step, 2.5967 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: 1894000 719.1282 2048.2744 1949.3691 110.8325 -206024.5046 17813.4043 0.0000 0.0000 34070.1553 -149313.3408 297.5431 -183383.4961 -149214.8947 298.3165 -51.9176 -17.1471 558710.8173 6.7477 6.4138 PRESSURE: 1894200 15.4034 91.4986 -28.9019 91.4981 169.961 -93.9317 -28.9012 -93.9316 66.9317 GPRESSURE: 1894200 102.019 103.983 -84.2493 -33.4817 157.447 -82.7887 3.71361 -89.5527 91.6465 PRESSAVG: 1894200 -33.0847 -0.743605 -86.8414 -0.743575 -20.7131 -34.4654 -86.8414 -34.4654 18.0946 GPRESSAVG: 1894200 -32.9278 -0.815055 -88.4529 0.94569 -21.8838 -33.7785 -88.3658 -32.4162 18.2198 TIMING: 1894200 CPU: 5635.81, 0.00297434/step Wall: 5635.81, 0.00297434/step, 2.56603 hours remaining, 206.910156 MB of memory in use. ENERGY: 1894200 695.0077 2093.2770 1948.6255 99.5462 -206500.6785 18118.0261 0.0000 0.0000 34382.1837 -149164.0124 300.2682 -183546.1961 -149063.9014 299.1479 84.0987 117.0375 558906.0292 -11.9011 -12.1973 PRESSURE: 1894400 -149.617 48.829 -87.8355 48.8292 -45.5965 19.3428 -87.8363 19.3423 -185.869 GPRESSURE: 1894400 -102.65 80.8128 -55.3695 -15.626 -64.1774 8.23802 -127.446 28.4931 -120.015 PRESSAVG: 1894400 9.88073 -28.7596 -13.1964 -28.7596 30.8852 -21.2931 -13.1963 -21.2931 -6.37729 GPRESSAVG: 1894400 10.1359 -26.5551 -12.2996 -31.9957 29.75 -23.3092 -12.0971 -19.2018 -4.61666 TIMING: 1894400 CPU: 5636.4, 0.00296041/step Wall: 5636.4, 0.00296041/step, 2.55385 hours remaining, 206.910156 MB of memory in use. ENERGY: 1894400 732.2964 2110.5305 1972.5046 128.5615 -205881.9594 17617.0977 0.0000 0.0000 34282.3467 -149038.6221 299.3963 -183320.9687 -148950.4010 299.2352 -127.0274 -95.6142 557894.2038 11.4629 11.7564 PRESSURE: 1894600 146.797 -241.369 112.226 -241.369 76.9031 124.184 112.228 124.183 46.981 GPRESSURE: 1894600 194.411 -178.851 205.571 -189.553 110.809 92.3028 68.4952 192.554 68.1602 PRESSAVG: 1894600 2.85282 -43.96 34.9738 -43.96 -18.2758 1.79057 34.9738 1.79062 21.8979 GPRESSAVG: 1894600 1.60624 -47.3432 35.402 -38.7971 -17.2923 2.60678 33.1607 0.264027 22.393 TIMING: 1894600 CPU: 5636.99, 0.00296035/step Wall: 5636.99, 0.00296035/step, 2.55363 hours remaining, 206.910156 MB of memory in use. ENERGY: 1894600 740.8534 2098.0852 1942.3740 112.5049 -206360.4568 18061.5124 0.0000 0.0000 34289.3176 -149115.8092 299.4571 -183405.1269 -149013.7077 299.6301 90.2271 124.4600 557617.1768 2.1583 2.2356 PRESSURE: 1894800 11.1095 68.2615 20.8838 68.2609 172.79 94.1389 20.8832 94.1388 -60.3593 GPRESSURE: 1894800 9.55814 47.6441 51.091 29.1008 226.227 55.4838 45.4345 145.031 -18.1046 PRESSAVG: 1894800 -12.3374 -5.79234 27.2461 -5.79242 8.7772 18.1956 27.246 18.1956 -32.9948 GPRESSAVG: 1894800 -12.0613 -5.99831 29.1341 -6.32575 9.5887 17.8783 27.2854 20.2054 -34.1958 TIMING: 1894800 CPU: 5637.58, 0.00297489/step Wall: 5637.58, 0.00297489/step, 2.56601 hours remaining, 206.910156 MB of memory in use. ENERGY: 1894800 812.0530 2108.5694 1925.2149 112.1250 -206174.3356 17946.3412 0.0000 0.0000 34032.4528 -149237.5791 297.2139 -183270.0319 -149135.2959 299.2450 41.1801 72.5602 557317.5544 -12.1850 -12.2228 PRESSURE: 1895000 59.4747 71.3144 -58.4718 71.315 -25.6699 58.751 -58.4719 58.7502 129.186 GPRESSURE: 1895000 130.546 104.783 -153.327 -15.3951 -14.6073 109.559 -59.4209 24.3103 146.537 PRESSAVG: 1895000 -34.4107 -12.8666 47.7749 -12.8665 17.4442 44.9771 47.7748 44.977 34.4678 GPRESSAVG: 1895000 -34.6139 -11.6702 45.4895 -15.2669 17.391 45.4827 49.5907 42.1947 35.0001 TIMING: 1895000 CPU: 5638.18, 0.00295204/step Wall: 5638.18, 0.00295204/step, 2.54613 hours remaining, 206.910156 MB of memory in use. ENERGY: 1895000 728.2898 2161.3374 1905.9194 106.2686 -206268.8629 17853.9525 0.0000 0.0000 34362.7941 -149150.3010 300.0988 -183513.0951 -149058.9810 299.7027 54.3304 87.4919 555804.7785 5.8338 5.9257 PRESSURE: 1895200 -59.0369 -101.902 42.5335 -101.901 52.3739 -135.622 42.5334 -135.621 -21.0508 GPRESSURE: 1895200 2.32191 -143.373 64.9834 -15.4325 96.2076 -147.391 -3.69998 -121.949 -27.6467 PRESSAVG: 1895200 -9.23218 -31.1434 33.9953 -31.1434 70.4049 -81.038 33.9952 -81.038 -41.6133 GPRESSAVG: 1895200 -8.39049 -32.6633 35.2562 -27.1526 70.0323 -82.3724 32.2576 -79.2682 -41.9688 TIMING: 1895200 CPU: 5638.77, 0.00296032/step Wall: 5638.77, 0.00296032/step, 2.55311 hours remaining, 206.910156 MB of memory in use. ENERGY: 1895200 735.6085 2075.1027 1941.7816 109.7448 -206223.1111 17774.2839 0.0000 0.0000 34013.6051 -149572.9845 297.0493 -183586.5896 -149476.3541 298.7831 -9.2380 23.6276 557086.6757 6.5198 6.5577 PRESSURE: 1895400 -250.749 -24.8716 -206.794 -24.8736 -45.7839 37.1065 -206.793 37.1077 -63.351 GPRESSURE: 1895400 -215.879 -64.3059 -261.078 20.9116 -30.574 21.6196 -192.399 8.234 -14.687 PRESSAVG: 1895400 1.50036 -30.6928 57.3786 -30.6929 0.56164 5.84293 57.3786 5.84301 4.24479 GPRESSAVG: 1895400 0.851057 -30.7264 57.5445 -32.8421 1.33265 6.40199 57.4963 3.91436 3.80429 TIMING: 1895400 CPU: 5639.36, 0.00297173/step Wall: 5639.36, 0.00297173/step, 2.56279 hours remaining, 206.910156 MB of memory in use. ENERGY: 1895400 742.5475 2093.0975 1938.2327 119.5706 -206333.0004 17691.8545 0.0000 0.0000 34118.4306 -149629.2670 297.9647 -183747.6976 -149530.7477 298.2671 -119.9613 -87.0467 557537.4258 2.1023 1.9960 PRESSURE: 1895600 -117.515 -140.493 -11.2519 -140.492 -27.7646 167.924 -11.253 167.925 34.1596 GPRESSURE: 1895600 -126.87 -169.746 112.457 -128.262 31.2936 131.057 -75.0885 166.9 82.6044 PRESSAVG: 1895600 -37.7285 -25.9732 31.0431 -25.9734 -4.99454 73.6642 31.0431 73.6642 9.86977 GPRESSAVG: 1895600 -37.4933 -25.3493 30.4207 -27.2228 -5.49633 74.3962 30.5258 76.7517 10.2086 TIMING: 1895600 CPU: 5639.96, 0.00297997/step Wall: 5639.96, 0.00297997/step, 2.56973 hours remaining, 206.910156 MB of memory in use. ENERGY: 1895600 722.8156 2113.5445 1931.8132 114.6612 -206380.2059 17941.1975 0.0000 0.0000 34067.4034 -149488.7705 297.5191 -183556.1739 -149394.8610 298.3405 -37.0399 -4.3240 557756.9108 -10.9511 -10.9270 PRESSURE: 1895800 -356.332 0.948963 76.8408 0.94928 -177.325 83.1022 76.8404 83.1024 -153.92 GPRESSURE: 1895800 -297.297 67.1425 133.141 24.0862 -176.508 -18.9074 53.1401 134.469 -113.335 PRESSAVG: 1895800 31.1964 3.35781 -2.68885 3.35788 -26.6073 21.3049 -2.68872 21.305 33.3226 GPRESSAVG: 1895800 30.7215 3.52101 -3.28488 1.97403 -25.9605 20.5855 -1.00899 18.5142 33.1778 TIMING: 1895800 CPU: 5640.56, 0.00298864/step Wall: 5640.56, 0.00298864/step, 2.57704 hours remaining, 206.910156 MB of memory in use. ENERGY: 1895800 721.8454 2118.0724 1941.5513 120.9387 -206238.8088 17485.9838 0.0000 0.0000 34266.9557 -149583.4614 299.2618 -183850.4171 -149483.3649 298.2978 -229.1924 -195.7134 557847.5138 12.6372 12.6463 PRESSURE: 1896000 67.2594 -130.977 -143.584 -130.975 321.911 17.038 -143.584 17.0387 -27.8348 GPRESSURE: 1896000 97.1615 -114.897 -138.691 -54.9905 349.912 38.1096 -129.043 23.2369 18.397 PRESSAVG: 1896000 -10.3617 -51.7204 17.4562 -51.7203 -82.104 66.7845 17.4563 66.7845 62.2993 GPRESSAVG: 1896000 -10.845 -51.0038 16.4195 -50.4984 -82.0882 67.68 16.1716 66.8213 62.2087 TIMING: 1896000 CPU: 5641.15, 0.00296661/step Wall: 5641.15, 0.00296661/step, 2.55788 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: 1896000 767.9412 2024.9355 1981.0545 105.8277 -206879.5378 18129.6167 0.0000 0.0000 34305.5327 -149564.6296 299.5987 -183870.1623 -149471.8247 298.7001 120.4451 155.1569 556138.8752 -10.0555 -10.2415 PRESSURE: 1896200 136.991 -8.74487 -87.8235 -8.74453 -174.784 -128.41 -87.8212 -128.411 -260.181 GPRESSURE: 1896200 163.237 134.497 -134.838 -97.6148 -90.0584 -113.876 -17.5604 -74.4795 -257.147 PRESSAVG: 1896200 43.6902 -4.36928 2.74102 -4.36927 -19.2734 -31.4614 2.74104 -31.4615 -20.0172 GPRESSAVG: 1896200 43.2952 -5.8895 2.5972 -3.12458 -19.4904 -31.9637 3.59977 -30.8245 -20.0341 TIMING: 1896200 CPU: 5641.74, 0.00297904/step Wall: 5641.74, 0.00297904/step, 2.56843 hours remaining, 206.910156 MB of memory in use. ENERGY: 1896200 746.3143 2007.1431 1938.9464 123.2009 -206471.9659 17773.8107 0.0000 0.0000 34299.8440 -149582.7065 299.5491 -183882.5505 -149484.7747 298.4492 -99.3248 -61.3229 557438.5136 1.4665 1.2569 LDB: ============= START OF LOAD BALANCING ============== 5645.17 LDB: ============== END OF LOAD BALANCING =============== 5645.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5645.17 LDB: ============= START OF LOAD BALANCING ============== 5645.47 LDB: Largest compute 4821 load 0.023900 is 20.2% of average load 0.118064 LDB: Average compute 0.001703 is 1.4% of average load 0.118064 LDB: TIME 5645.47 LOAD: AVG 0.118064 MAX 0.198296 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.555 MB LDB: TIME 5645.47 LOAD: AVG 0.118064 MAX 0.198296 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.555 MB LDB: TIME 5645.47 LOAD: AVG 0.118064 MAX 0.198296 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.555 MB LDB: ============== END OF LOAD BALANCING =============== 5645.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5645.48 PRESSURE: 1896400 285.457 90.9785 -83.4631 90.9791 4.30342 -149.299 -83.4638 -149.297 213.776 GPRESSURE: 1896400 423.369 165.77 -86.6299 88.9045 -20.8851 -213.119 -53.0869 -69.3449 183.561 PRESSAVG: 1896400 15.3291 100.243 -4.1508 100.243 -49.1557 -64.8878 -4.15085 -64.8877 -30.8006 GPRESSAVG: 1896400 16.3103 100.425 -4.14148 100.227 -49.2844 -64.6246 -4.58919 -65.6175 -30.7326 TIMING: 1896400 CPU: 5642.35, 0.00301877/step Wall: 5642.35, 0.00301877/step, 2.60252 hours remaining, 205.941406 MB of memory in use. ENERGY: 1896400 741.8877 2104.5514 1979.8900 117.6357 -206957.7455 18258.5430 0.0000 0.0000 34172.2729 -149582.9648 298.4350 -183755.2377 -149479.9502 298.3124 167.8455 195.3483 556323.3967 -21.5424 -21.2356 PRESSURE: 1896600 438.393 8.00042 -139.235 8.00036 0.847153 -124.759 -139.237 -124.761 151.712 GPRESSURE: 1896600 534.541 134.911 -215.457 -69.6507 -34.1112 -229.194 -23.3463 -22.8945 188.707 PRESSAVG: 1896600 -14.1667 42.3297 -12.0029 42.3297 -14.7887 -24.3188 -12.0029 -24.3189 52.8764 GPRESSAVG: 1896600 -13.2357 42.5479 -11.0143 42.2247 -15.372 -25.9154 -10.5258 -22.375 52.9999 TIMING: 1896600 CPU: 5642.94, 0.00295595/step Wall: 5642.94, 0.00295595/step, 2.5482 hours remaining, 205.941406 MB of memory in use. ENERGY: 1896600 719.7508 2090.4113 1969.9040 115.5242 -206486.4112 17978.5033 0.0000 0.0000 34152.7912 -149459.5264 298.2648 -183612.3176 -149360.5381 298.5779 196.9840 229.7123 556948.9093 7.9737 8.1307 PRESSURE: 1896800 359.467 -92.8299 -248.195 -92.8285 -66.9539 -85.0922 -248.194 -85.0918 61.898 GPRESSURE: 1896800 368.095 -21.4409 -326.549 -129.631 -16.242 -65.0453 -161.657 -72.4988 84.1924 PRESSAVG: 1896800 52.634 -37.0413 -68.0555 -37.0413 7.03526 -26.3618 -68.0555 -26.3618 -5.80611 GPRESSAVG: 1896800 51.4586 -37.6187 -68.9784 -38.8239 8.53518 -25.1858 -66.1787 -28.1224 -6.28259 TIMING: 1896800 CPU: 5643.53, 0.0029376/step Wall: 5643.53, 0.0029376/step, 2.53221 hours remaining, 205.941406 MB of memory in use. ENERGY: 1896800 776.1914 2104.4087 1944.6393 122.8656 -206816.1139 18169.7698 0.0000 0.0000 34102.3030 -149595.9360 297.8239 -183698.2390 -149503.3061 298.2382 118.1369 145.3485 556118.1552 17.9544 17.9037 PRESSURE: 1897000 204.868 -27.9341 -10.4932 -27.9334 -41.1561 144.98 -10.4938 144.979 159.422 GPRESSURE: 1897000 197.76 -28 -86.3938 -2.4483 34.741 180.418 70.6598 204.616 180.48 PRESSAVG: 1897000 -65.3386 -25.3296 38.6538 -25.3296 40.8672 -25.9785 38.6538 -25.9785 12.0185 GPRESSAVG: 1897000 -64.4069 -24.874 39.6808 -23.8427 39.0635 -25.6194 36.4958 -25.642 13.2465 TIMING: 1897000 CPU: 5644.12, 0.00295667/step Wall: 5644.12, 0.00295667/step, 2.54849 hours remaining, 205.941406 MB of memory in use. ENERGY: 1897000 744.5118 2035.1167 1942.6079 119.1989 -206576.0216 18016.0126 0.0000 0.0000 34241.0065 -149477.5672 299.0352 -183718.5737 -149386.8397 299.0355 107.7112 137.6603 556154.0335 -4.1510 -4.0323 PRESSURE: 1897200 -102.26 153.899 -66.1968 153.9 -338.035 -56.5799 -66.1964 -56.579 -203.802 GPRESSURE: 1897200 -55.1528 177.768 -41.1525 30.1988 -265.929 -174.035 -29.4282 -20.1135 -220.501 PRESSAVG: 1897200 -37.7555 14.7994 10.5038 14.7995 26.6989 24.8479 10.5038 24.8478 75.0234 GPRESSAVG: 1897200 -37.4329 14.941 11.3314 13.1414 26.8361 23.1502 9.15245 23.6144 75.0927 TIMING: 1897200 CPU: 5644.71, 0.00296297/step Wall: 5644.71, 0.00296297/step, 2.55375 hours remaining, 205.941406 MB of memory in use. ENERGY: 1897200 776.3414 2074.9596 1927.7562 114.3481 -206299.3517 17623.0631 0.0000 0.0000 34276.1959 -149506.6872 299.3425 -183782.8832 -149410.9632 298.8694 -214.6989 -180.5279 556667.5018 21.3223 21.4986 PRESSURE: 1897400 -89.0907 72.6836 -107.986 72.6824 -119.029 27.4832 -107.985 27.4836 -211.321 GPRESSURE: 1897400 -104.438 20.0351 -140.491 83.101 -70.6451 34.269 -62.2998 25.48 -130.414 PRESSAVG: 1897400 -23.164 -0.205206 -20.9087 -0.205216 13.573 -16.6272 -20.9086 -16.6271 32.7928 GPRESSAVG: 1897400 -23.8857 -0.717356 -22.7152 0.749807 15.3965 -15.9847 -19.4663 -15.7844 31.7192 TIMING: 1897400 CPU: 5645.3, 0.00296996/step Wall: 5645.3, 0.00296996/step, 2.55961 hours remaining, 205.941406 MB of memory in use. ENERGY: 1897400 769.1185 2130.1286 1952.5946 108.6404 -206329.7346 17717.8212 0.0000 0.0000 34151.9373 -149499.4939 298.2574 -183651.4313 -149409.1131 298.2976 -139.8134 -101.8323 555825.4648 7.7339 7.7433 PRESSURE: 1897600 4.63645 63.8549 -94.7356 63.8541 86.5281 -8.53172 -94.7342 -8.53275 -168.764 GPRESSURE: 1897600 1.63169 98.5909 -106.609 37.4557 139.65 8.60177 -144.904 -34.3339 -119.517 PRESSAVG: 1897600 -11.9202 5.55748 2.06154 5.55749 -2.36107 1.9039 2.06156 1.90384 22.3599 GPRESSAVG: 1897600 -12.1328 8.0312 1.60407 4.56728 -3.62062 2.56304 1.73563 0.297437 23.4571 TIMING: 1897600 CPU: 5645.9, 0.00296352/step Wall: 5645.9, 0.00296352/step, 2.5539 hours remaining, 205.996094 MB of memory in use. ENERGY: 1897600 756.7663 2099.3362 1957.6921 106.7106 -206555.8530 17883.9966 0.0000 0.0000 34327.1792 -149424.1721 299.7878 -183751.3513 -149328.4143 298.9555 -25.8663 7.2550 557807.1661 2.6929 2.5679 PRESSURE: 1897800 54.502 62.1626 -0.374469 62.1622 8.68805 130.668 -0.374625 130.667 197.462 GPRESSURE: 1897800 108.885 0.723446 93.8003 68.1801 31.4043 89.0054 -44.842 181.112 217.335 PRESSAVG: 1897800 -31.8397 27.8474 -68.8909 27.8475 -7.15226 -0.582227 -68.8909 -0.582158 28.5409 GPRESSAVG: 1897800 -32.0132 25.4545 -68.8088 28.5278 -7.21763 0.645615 -67.0035 0.568141 29.017 TIMING: 1897800 CPU: 5646.49, 0.00296257/step Wall: 5646.49, 0.00296257/step, 2.55292 hours remaining, 205.996094 MB of memory in use. ENERGY: 1897800 766.6729 2103.7580 1923.4044 125.8972 -206652.8282 18006.6341 0.0000 0.0000 34402.9420 -149323.5196 300.4494 -183726.4616 -149230.5507 299.0778 86.8839 119.2082 557294.6225 -3.4837 -3.4046 PRESSURE: 1898000 -182.293 77.381 -42.7619 77.3818 63.2586 -127.185 -42.7617 -127.183 3.74813 GPRESSURE: 1898000 -240.405 -21.9711 -60.8139 117.971 134.073 -183.831 -45.3392 -98.9395 80.9232 PRESSAVG: 1898000 5.79506 -16.4703 -32.1534 -16.4704 18.836 -19.4487 -32.1534 -19.4487 4.16449 GPRESSAVG: 1898000 6.59697 -15.4204 -31.2151 -15.2512 19.4224 -22.723 -34.6371 -18.7969 2.64776 TIMING: 1898000 CPU: 5647.08, 0.00296663/step Wall: 5647.08, 0.00296663/step, 2.55625 hours remaining, 205.996094 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: 1898000 725.9240 2132.3699 1941.6311 124.6662 -206252.5172 17822.2599 0.0000 0.0000 34187.4995 -149318.1666 298.5679 -183505.6661 -149234.2160 298.9123 -38.4288 -8.4694 557882.6422 9.5985 9.5557 PRESSURE: 1898200 -232.021 -24.6881 92.1252 -24.6893 -38.2158 -33.1308 92.1272 -33.1315 -3.52089 GPRESSURE: 1898200 -215.143 5.36977 85.8046 -15.2131 -35.4369 -82.6898 68.4366 29.8036 52.8371 PRESSAVG: 1898200 -44.4951 9.79668 -24.3024 9.79679 21.0719 -43.2998 -24.3023 -43.2998 40.5945 GPRESSAVG: 1898200 -44.9853 9.24038 -26.8181 11.0589 20.3893 -41.7036 -22.66 -45.1187 41.7782 TIMING: 1898200 CPU: 5647.67, 0.00295325/step Wall: 5647.67, 0.00295325/step, 2.54455 hours remaining, 205.996094 MB of memory in use. ENERGY: 1898200 747.7536 2087.0619 1959.0745 126.1481 -206072.7975 17540.3016 0.0000 0.0000 34313.9600 -149298.4979 299.6723 -183612.4579 -149208.7042 299.2090 -91.2524 -65.9142 557655.8377 5.7238 5.7274 PRESSURE: 1898400 12.5052 55.096 -13.3985 55.0947 -252.914 -9.15441 -13.397 -9.15506 -114.873 GPRESSURE: 1898400 51.9143 173.5 0.0947493 -26.1516 -205.918 3.29061 -19.6332 27.2268 -100.489 PRESSAVG: 1898400 16.9972 62.2109 11.5313 62.2109 -51.2496 38.4452 11.5313 38.4452 -3.36948 GPRESSAVG: 1898400 17.1678 62.5938 12.5324 60.493 -51.1818 39.6146 11.3563 39.2073 -3.1564 TIMING: 1898400 CPU: 5648.27, 0.00297283/step Wall: 5648.27, 0.00297283/step, 2.56126 hours remaining, 205.996094 MB of memory in use. ENERGY: 1898400 742.2374 2076.1241 1965.5539 107.4079 -205823.5315 17548.7426 0.0000 0.0000 34215.0758 -149168.3897 298.8088 -183383.4655 -149067.7913 299.8439 -118.4274 -84.8309 557852.4003 -12.5406 -12.3902 PRESSURE: 1898600 -236.405 113.36 -101.978 113.36 -22.8618 -83.3163 -101.979 -83.3145 3.41842 GPRESSURE: 1898600 -202.286 123.363 -85.5801 43.4161 18.7894 -178.841 -188.551 22.432 17.888 PRESSAVG: 1898600 -44.0973 -14.4194 -6.4096 -14.4194 0.0178423 33.9968 -6.40951 33.9968 81.7363 GPRESSAVG: 1898600 -43.8114 -13.5011 -3.2935 -15.5424 0.283642 34.6358 -7.56055 33.7883 80.6483 TIMING: 1898600 CPU: 5648.87, 0.00298481/step Wall: 5648.87, 0.00298481/step, 2.57141 hours remaining, 205.996094 MB of memory in use. ENERGY: 1898600 736.0209 2125.2752 1965.2491 95.8035 -205868.9616 17608.5523 0.0000 0.0000 34182.2182 -149155.8424 298.5218 -183338.0606 -149058.1381 299.4992 -85.2829 -55.2027 558647.2905 12.5523 12.3735 PRESSURE: 1898800 -61.1083 -130.74 -69.6685 -130.739 139.412 -164.488 -69.6673 -164.487 110.024 GPRESSURE: 1898800 -19.7897 -98.0429 29.4834 -74.9311 126.851 -39.1523 -148.776 -153.691 165.393 PRESSAVG: 1898800 50.2501 11.9714 -36.3581 11.9714 -19.3321 -23.3225 -36.358 -23.3226 -0.131349 GPRESSAVG: 1898800 49.6447 11.7937 -40.2517 11.4512 -20.0121 -23.4453 -34.938 -24.3345 1.3445 TIMING: 1898800 CPU: 5649.47, 0.0030035/step Wall: 5649.47, 0.0030035/step, 2.58735 hours remaining, 205.996094 MB of memory in use. ENERGY: 1898800 744.3398 2080.7207 1924.9527 115.4752 -206257.9347 18002.9102 0.0000 0.0000 34180.7181 -149208.8181 298.5087 -183389.5362 -149112.8086 299.5694 62.7757 90.8180 556168.3009 10.2622 10.3257 PRESSURE: 1899000 10.48 62.8737 -56.4525 62.8732 -336.969 117.4 -56.4534 117.401 -280.345 GPRESSURE: 1899000 14.7076 38.7972 -66.1313 163.051 -277.321 197.025 -90.9688 40.1632 -258.04 PRESSAVG: 1899000 9.75708 -5.15626 -35.5263 -5.1563 33.6621 -34.8492 -35.5263 -34.8493 -8.77285 GPRESSAVG: 1899000 10.2363 -6.41758 -33.8526 -3.45034 34.6135 -35.6738 -36.9729 -33.6854 -9.79534 TIMING: 1899000 CPU: 5650.07, 0.00300259/step Wall: 5650.07, 0.00300259/step, 2.5864 hours remaining, 205.996094 MB of memory in use. ENERGY: 1899000 740.8593 2097.6583 1947.4001 111.6808 -205498.9351 17374.7053 0.0000 0.0000 34050.0714 -149176.5598 297.3677 -183226.6313 -149079.4464 299.3447 -202.2780 -173.5511 557659.6990 11.5488 11.6848 PRESSURE: 1899200 115.06 -95.5135 -102.214 -95.5144 266.9 63.4802 -102.214 63.4807 238.294 GPRESSURE: 1899200 121.064 -141.884 -61.5989 -131.953 307.842 52.7518 -109.733 36.8036 275.438 PRESSAVG: 1899200 4.33464 9.76684 -51.2381 9.76677 -16.0972 -33.0409 -51.2382 -33.041 32.9926 GPRESSAVG: 1899200 3.99955 9.96799 -51.0142 9.62658 -16.7355 -34.0312 -47.7407 -33.3284 34.0881 TIMING: 1899200 CPU: 5650.66, 0.00297939/step Wall: 5650.66, 0.00297939/step, 2.56625 hours remaining, 205.996094 MB of memory in use. ENERGY: 1899200 760.7925 2083.2044 1940.8349 113.7852 -206256.0686 18117.3867 0.0000 0.0000 34127.9000 -149112.1649 298.0474 -183240.0649 -149026.2701 299.3433 206.7514 234.7812 558444.7832 7.0767 7.1174 PRESSURE: 1899400 -85.3286 107.892 -12.1361 107.892 111.341 42.5447 -12.137 42.5466 240.895 GPRESSURE: 1899400 -44.1779 96.8569 50.9577 -48.2764 85.9675 86.2097 -90.2938 80.4432 317.369 PRESSAVG: 1899400 0.162488 -54.4812 -6.25555 -54.4813 -45.7676 -61.4042 -6.25557 -61.4041 66.3495 GPRESSAVG: 1899400 -0.351871 -55.0968 -6.18682 -54.5165 -44.1049 -60.482 -9.07153 -60.4352 65.1346 TIMING: 1899400 CPU: 5651.26, 0.00300752/step Wall: 5651.26, 0.00300752/step, 2.59031 hours remaining, 205.996094 MB of memory in use. ENERGY: 1899400 755.9806 2134.7448 1922.8644 119.0111 -205941.3256 17835.7945 0.0000 0.0000 34128.3158 -149044.6145 298.0511 -183172.9302 -148942.3996 298.8039 88.9691 119.7196 558097.7511 6.9148 6.8926 PRESSURE: 1899600 -282.618 -5.15642 7.81377 -5.15609 -212.185 27.1283 7.81494 27.1279 -190.982 GPRESSURE: 1899600 -289.107 -52.5536 2.30937 2.68308 -182.586 -6.65622 85.3045 19.9474 -121.701 PRESSAVG: 1899600 -34.5568 -48.6889 -11.9101 -48.6889 16.3148 -0.520786 -11.9101 -0.52074 6.97226 GPRESSAVG: 1899600 -33.2734 -47.8995 -10.6616 -50.7067 15.1665 -0.88614 -11.8289 1.32687 7.06667 TIMING: 1899600 CPU: 5651.86, 0.00297147/step Wall: 5651.86, 0.00297147/step, 2.55909 hours remaining, 205.996094 MB of memory in use. ENERGY: 1899600 750.1447 2063.8302 1949.2950 110.8902 -205492.1919 17389.5839 0.0000 0.0000 34397.4881 -148830.9597 300.4018 -183228.4478 -148736.7728 299.3398 -228.5950 -197.7978 559455.5890 -3.7566 -3.6801 PRESSURE: 1899800 -227.64 78.9328 64.2476 78.9319 -189.329 63.5222 64.2465 63.5226 -127.232 GPRESSURE: 1899800 -201.535 58.914 87.7594 43.955 -155.433 -1.89269 70.2394 88.6373 -90.8854 PRESSAVG: 1899800 -73.1622 -53.8478 18.8656 -53.8479 32.0136 12.1671 18.8656 12.1672 20.7135 GPRESSAVG: 1899800 -72.9388 -52.9969 19.9065 -51.498 31.6638 11.3793 19.3646 10.4492 20.285 TIMING: 1899800 CPU: 5652.45, 0.00296153/step Wall: 5652.45, 0.00296153/step, 2.55037 hours remaining, 205.996094 MB of memory in use. ENERGY: 1899800 765.7256 2091.0505 1919.9154 92.3658 -205498.7851 17459.3345 0.0000 0.0000 34150.8331 -149019.5601 298.2477 -183170.3932 -148920.3700 299.4914 -181.4006 -149.2844 558504.8526 -6.8117 -6.9967 PRESSURE: 1900000 -195.688 -30.0872 -191.816 -30.0877 152.613 -83.9604 -191.816 -83.9615 55.4834 GPRESSURE: 1900000 -152.429 -66.1387 -178.657 22.2576 158.764 -96.0215 -190.64 -10.2392 97.918 PRESSAVG: 1900000 18.3984 8.90984 9.58121 8.90992 -4.96426 16.9247 9.58123 16.9247 35.8113 GPRESSAVG: 1900000 16.7344 6.91547 6.75806 7.94091 -4.32794 16.6396 9.56757 16.58 36.9788 TIMING: 1900000 CPU: 5653.05, 0.00299298/step Wall: 5653.05, 0.00299298/step, 2.57729 hours remaining, 205.996094 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: 1900000 762.7114 2071.7953 1924.9110 126.2561 -205967.1856 17781.5072 0.0000 0.0000 34266.4716 -149033.5330 299.2576 -183300.0046 -148937.7413 299.5902 4.1362 34.7509 558339.8611 16.4151 16.4617 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 1900000 WRITING COORDINATES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 1900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 1900200 203.042 -25.7992 104.353 -25.7984 -99.89 -6.47094 104.352 -6.47248 209.177 GPRESSURE: 1900200 246.183 -145.144 135.722 63.449 -84.7371 17.8783 55.7057 -74.1746 224.276 PRESSAVG: 1900200 -46.198 15.8908 -5.02848 15.8908 -43.3551 -19.6597 -5.02842 -19.6597 60.8035 GPRESSAVG: 1900200 -43.8674 17.2246 -1.55335 17.0614 -43.2479 -18.6295 -6.43705 -19.5155 58.249 TIMING: 1900200 CPU: 5653.71, 0.0032967/step Wall: 5653.71, 0.0032967/step, 2.83865 hours remaining, 205.996094 MB of memory in use. ENERGY: 1900200 711.8152 2139.5515 1941.6804 119.4623 -206385.6247 17957.2595 0.0000 0.0000 34450.3745 -149065.4813 300.8637 -183515.8558 -148968.4750 299.3980 104.1096 128.5739 557568.8975 -9.5832 -9.6221 LDB: ============= START OF LOAD BALANCING ============== 5657.14 LDB: ============== END OF LOAD BALANCING =============== 5657.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5657.14 LDB: ============= START OF LOAD BALANCING ============== 5657.43 LDB: Largest compute 4821 load 0.025444 is 21.6% of average load 0.118013 LDB: Average compute 0.001711 is 1.4% of average load 0.118013 LDB: TIME 5657.44 LOAD: AVG 0.118013 MAX 0.198489 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 5657.44 LOAD: AVG 0.118013 MAX 0.198489 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: TIME 5657.44 LOAD: AVG 0.118013 MAX 0.198489 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: ============== END OF LOAD BALANCING =============== 5657.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5657.44 PRESSURE: 1900400 75.8521 -8.06557 -144.563 -8.06598 72.8649 5.29373 -144.563 5.29223 10.515 GPRESSURE: 1900400 106.644 58.1206 -119.775 -32.5544 117.215 44.0996 -134.555 -50.6119 28.9703 PRESSAVG: 1900400 -32.9649 58.072 11.2945 58.0721 40.0343 -11.7101 11.2945 -11.7102 11.9739 GPRESSAVG: 1900400 -34.6722 56.0737 8.39168 57.4158 40.0938 -13.5766 13.277 -12.2847 14.429 TIMING: 1900400 CPU: 5654.31, 0.00302917/step Wall: 5654.31, 0.00302917/step, 2.60812 hours remaining, 206.957031 MB of memory in use. ENERGY: 1900400 768.5372 2088.3847 1960.1423 120.7793 -206120.4501 17865.6638 0.0000 0.0000 34101.5043 -149215.4385 297.8169 -183316.9428 -149119.9158 299.5238 53.0774 84.2767 557685.8540 6.3478 6.6169 PRESSURE: 1900600 -76.8784 151.228 175.205 151.229 172.056 -2.22202 175.206 -2.22393 -44.8001 GPRESSURE: 1900600 -29.5284 86.0143 128.518 82.8132 175.831 10.4808 199.923 -65.0501 -0.457576 PRESSAVG: 1900600 -10.6126 93.3827 -4.04628 93.3827 -12.5652 -2.60999 -4.04632 -2.60997 18.8262 GPRESSAVG: 1900600 -9.83454 95.4176 -3.39907 91.6702 -12.876 -3.38716 -3.59198 -0.149268 18.1366 TIMING: 1900600 CPU: 5654.91, 0.0029828/step Wall: 5654.91, 0.0029828/step, 2.56803 hours remaining, 207.292969 MB of memory in use. ENERGY: 1900600 729.6154 2094.8371 1930.6721 111.8421 -205999.1220 17662.9155 0.0000 0.0000 34426.1382 -149043.1015 300.6520 -183469.2397 -148948.1004 299.7553 16.7925 48.6149 558166.6208 -1.4506 -1.5247 PRESSURE: 1900800 -45.2571 11.752 1.56002 11.7517 154.878 237.354 1.56033 237.355 45.6156 GPRESSURE: 1900800 4.43225 51.7804 -98.6042 -60.7683 148.226 294.226 15.5792 230.654 97.7113 PRESSAVG: 1900800 9.0466 -16.0161 -24.5686 -16.016 13.9822 11.3381 -24.5686 11.3382 22.0788 GPRESSAVG: 1900800 8.59552 -17.0234 -25.2649 -14.4554 13.9421 14.578 -25.9049 9.52702 22.5884 TIMING: 1900800 CPU: 5655.51, 0.00298876/step Wall: 5655.51, 0.00298876/step, 2.57299 hours remaining, 207.292969 MB of memory in use. ENERGY: 1900800 737.0267 2066.6093 1953.2821 114.1907 -205944.0626 17762.9500 0.0000 0.0000 34304.4698 -149005.5340 299.5895 -183310.0038 -148910.1600 299.3073 51.7456 83.4566 557712.3164 15.0359 15.0420 PRESSURE: 1901000 -108.376 -7.65206 -131.565 -7.65289 106.632 102.504 -131.564 102.504 -5.55637 GPRESSURE: 1901000 -11.1222 -48.7877 -183.058 -37.5425 68.411 74.6549 -104.133 141.511 15.3355 PRESSAVG: 1901000 -15.0743 -82.5758 -20.0802 -82.5759 10.3751 10.5337 -20.0801 10.5338 2.00893 GPRESSAVG: 1901000 -15.5041 -82.1229 -21.5572 -82.5026 10.5244 6.75451 -18.5646 12.0978 1.74221 TIMING: 1901000 CPU: 5656.1, 0.00296276/step Wall: 5656.1, 0.00296276/step, 2.55045 hours remaining, 207.292969 MB of memory in use. ENERGY: 1901000 715.3946 2111.9225 1939.6973 96.4267 -205980.4655 17725.3875 0.0000 0.0000 34396.0919 -148995.5450 300.3896 -183391.6369 -148899.9106 299.4450 -2.4332 24.2081 557233.8623 -0.8968 -1.0792 PRESSURE: 1901200 115.718 96.7066 -58.1804 96.7077 -8.32095 -1.06064 -58.1804 -1.05952 -19.0158 GPRESSURE: 1901200 129.08 136.569 91.1154 63.2121 -6.12818 28.4181 -71.5787 -37.3328 52.1716 PRESSAVG: 1901200 19.6162 37.9756 -75.3018 37.9755 16.8617 -16.5191 -75.3019 -16.5191 -7.12705 GPRESSAVG: 1901200 19.7567 36.3046 -72.472 41.2323 16.8544 -15.0115 -78.4558 -17.5485 -7.06365 TIMING: 1901200 CPU: 5656.7, 0.00299413/step Wall: 5656.7, 0.00299413/step, 2.57728 hours remaining, 207.292969 MB of memory in use. ENERGY: 1901200 738.6319 2140.6114 1933.1950 104.0514 -206050.4330 17799.4528 0.0000 0.0000 34397.7343 -148936.7562 300.4040 -183334.4905 -148839.8145 299.7933 29.4605 58.3746 556759.8374 9.7836 9.8491 PRESSURE: 1901400 -102.467 139.622 -63.5745 139.621 -157.017 169.477 -63.5729 169.476 -171.087 GPRESSURE: 1901400 -62.3164 54.9345 -47.4589 132.897 -143.799 87.8681 -18.8986 146.965 -127.797 PRESSAVG: 1901400 41.2891 44.2665 -26.2053 44.2665 -10.8505 -28.5609 -26.2052 -28.5609 16.0909 GPRESSAVG: 1901400 41.3827 47.3841 -27.9768 41.0838 -9.44798 -26.9565 -24.7339 -27.5988 15.3556 TIMING: 1901400 CPU: 5657.3, 0.00299315/step Wall: 5657.3, 0.00299315/step, 2.57627 hours remaining, 207.292969 MB of memory in use. ENERGY: 1901400 771.9506 2081.9394 1918.7680 106.0509 -205548.8825 17577.9392 0.0000 0.0000 34156.5976 -148935.6369 298.2981 -183092.2345 -148844.4656 299.3378 -143.5238 -111.3041 557485.9584 15.5099 15.7634 PRESSURE: 1901600 -168.657 110.592 21.579 110.591 -224.362 -83.631 21.5789 -83.6319 -160.948 GPRESSURE: 1901600 -113.213 141.79 9.89509 45.3673 -214.022 -171.628 72.1445 -20.8816 -121.775 PRESSAVG: 1901600 -0.974956 -21.9743 9.70372 -21.9743 -58.4523 7.92245 9.70366 7.92247 77.8248 GPRESSAVG: 1901600 -1.83322 -22.1095 9.58172 -21.8076 -57.7694 7.65994 11.2093 5.91339 78.6156 TIMING: 1901600 CPU: 5657.89, 0.00296357/step Wall: 5657.89, 0.00296357/step, 2.55064 hours remaining, 207.292969 MB of memory in use. ENERGY: 1901600 781.6122 2098.0765 1937.2648 125.7449 -205939.2889 17607.0268 0.0000 0.0000 34466.4781 -148923.0857 301.0043 -183389.5638 -148831.2857 299.8563 -184.6555 -149.6699 558330.6106 6.1325 6.3376 PRESSURE: 1901800 -95.0024 -70.6553 -8.03481 -70.6556 -89.8897 68.0949 -8.03376 68.0947 -76.2397 GPRESSURE: 1901800 -58.4134 13.4998 -18.357 -42.9271 -42.5909 31.846 22.5394 133.752 -68.6724 PRESSAVG: 1901800 7.05817 68.4946 -33.3958 68.4945 -57.4225 -5.74712 -33.3958 -5.74714 43.5819 GPRESSAVG: 1901800 8.35335 67.5494 -32.9952 68.3665 -59.2066 -5.77999 -33.9825 -6.83559 43.7981 TIMING: 1901800 CPU: 5658.49, 0.00298044/step Wall: 5658.49, 0.00298044/step, 2.565 hours remaining, 207.292969 MB of memory in use. ENERGY: 1901800 741.9587 2077.1425 1943.5256 111.3343 -206080.3428 17774.9273 0.0000 0.0000 34314.9402 -149116.5142 299.6809 -183431.4544 -149020.8361 299.8164 -87.0439 -56.5589 559554.8722 -2.2608 -2.3517 PRESSURE: 1902000 74.9868 177.06 91.7919 177.06 55.3505 -134.747 91.7927 -134.747 -33.1123 GPRESSURE: 1902000 140.052 168.209 160.619 218.605 89.0016 -106.754 20.489 -159.257 -38.7219 PRESSAVG: 1902000 -57.7738 3.5837 24.955 3.58362 13.9416 -38.1225 24.955 -38.1225 14.4714 GPRESSAVG: 1902000 -57.401 3.54331 25.5731 5.24037 15.2256 -39.7227 22.7864 -35.5458 13.0086 TIMING: 1902000 CPU: 5659.09, 0.00298737/step Wall: 5659.09, 0.00298737/step, 2.5708 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: 1902000 748.9475 2058.5550 1952.0736 123.1584 -205883.1000 17750.6571 0.0000 0.0000 34268.7207 -148980.9876 299.2773 -183249.7083 -148888.5133 299.6232 32.4083 63.4437 559300.5324 -9.7869 -9.7223 PRESSURE: 1902200 -98.8463 45.2711 73.1959 45.272 180.702 -91.7273 73.1946 -91.728 -105.845 GPRESSURE: 1902200 -41.5138 28.0033 76.8315 145.753 184.976 -65.4729 58.1952 -90.6654 -62.1667 PRESSAVG: 1902200 -7.31547 -22.3636 21.6344 -22.3636 6.94183 -75.6987 21.6344 -75.6987 23.8724 GPRESSAVG: 1902200 -7.89454 -22.8965 19.2431 -23.3207 6.04604 -73.4372 24.4011 -77.1456 25.5744 TIMING: 1902200 CPU: 5659.68, 0.00297/step Wall: 5659.68, 0.00297/step, 2.55569 hours remaining, 207.292969 MB of memory in use. ENERGY: 1902200 736.2706 2069.2751 1942.1538 115.8921 -205942.4449 17698.1070 0.0000 0.0000 34370.6534 -149010.0928 300.1675 -183380.7463 -148910.6362 299.8061 -7.9962 27.0986 557196.3948 7.8329 7.9087 PRESSURE: 1902400 -22.8414 82.2574 154.044 82.2576 399.779 8.44068 154.043 8.43972 44.9297 GPRESSURE: 1902400 -18.2639 68.9352 201.934 1.79967 434.949 -30.0495 163.999 -36.2041 102.347 PRESSAVG: 1902400 -7.77797 14.0984 -34.4143 14.0985 3.87648 -28.8798 -34.4142 -28.8799 39.6893 GPRESSAVG: 1902400 -7.57083 13.6782 -32.2466 12.2434 4.62702 -29.6744 -35.2009 -26.9306 38.9088 TIMING: 1902400 CPU: 5660.28, 0.00300517/step Wall: 5660.28, 0.00300517/step, 2.58578 hours remaining, 207.292969 MB of memory in use. ENERGY: 1902400 736.7060 2155.3528 1934.7459 105.0781 -206167.2672 17925.3752 0.0000 0.0000 34166.4078 -149143.6013 298.3837 -183310.0092 -149046.7608 299.3692 140.6225 173.0109 556574.8570 11.9293 11.9883 PRESSURE: 1902600 103.814 129.988 93.064 129.987 38.031 -111.404 93.0651 -111.405 -90.0959 GPRESSURE: 1902600 55.1826 180.463 46.2329 35.0758 126.631 -115.877 51.5757 -80.5998 -46.5832 PRESSAVG: 1902600 42.0256 35.5682 41.4415 35.5682 -52.6504 -6.58753 41.4415 -6.58766 -10.1335 GPRESSAVG: 1902600 41.0715 37.9979 42.6271 35.8907 -52.2017 -6.47243 39.7688 -9.33799 -9.0443 TIMING: 1902600 CPU: 5660.88, 0.00298967/step Wall: 5660.88, 0.00298967/step, 2.57228 hours remaining, 207.292969 MB of memory in use. ENERGY: 1902600 705.1251 2107.7584 1941.2069 102.0693 -206146.2749 17656.0538 0.0000 0.0000 34263.9831 -149370.0783 299.2359 -183634.0614 -149270.8632 299.2322 17.2497 45.0768 557139.2131 -6.9194 -6.7249 PRESSURE: 1902800 71.0932 -156.006 -30.7141 -156.006 -227.765 34.5455 -30.7142 34.5456 -55.2701 GPRESSURE: 1902800 81.8082 -117.713 58.3159 -180.68 -214.243 74.3607 -108.673 -0.530781 5.78582 PRESSAVG: 1902800 65.0251 29.1931 -18.1592 29.193 -30.1952 -45.2722 -18.159 -45.2722 3.7332 GPRESSAVG: 1902800 67.5594 28.3897 -19.0601 30.7085 -31.4914 -45.9589 -17.338 -44.4575 2.70587 TIMING: 1902800 CPU: 5661.48, 0.00299179/step Wall: 5661.48, 0.00299179/step, 2.57393 hours remaining, 207.292969 MB of memory in use. ENERGY: 1902800 734.7271 2106.0342 1937.1458 105.1007 -206146.3267 17685.0836 0.0000 0.0000 34227.7403 -149350.4949 298.9194 -183578.2353 -149248.9595 298.5411 -70.6472 -42.2164 557153.2774 12.8543 12.9246 PRESSURE: 1903000 -29.9861 -73.6426 90.6257 -73.6424 -156.279 174.321 90.6247 174.322 160.213 GPRESSURE: 1903000 20.9434 -164.017 125.5 34.9061 -128.877 197.162 63.5665 108.64 185.632 PRESSAVG: 1903000 16.1407 -4.93809 19.9492 -4.93798 35.5271 70.9404 19.9492 70.9403 -48.1041 GPRESSAVG: 1903000 15.4705 -5.68138 21.0765 -4.6568 36.224 71.6765 18.3571 72.5775 -48.2106 TIMING: 1903000 CPU: 5662.07, 0.00298475/step Wall: 5662.07, 0.00298475/step, 2.56771 hours remaining, 207.292969 MB of memory in use. ENERGY: 1903000 736.3570 2077.4296 1934.6734 120.8902 -206245.5378 17798.8087 0.0000 0.0000 34228.0227 -149349.3561 298.9218 -183577.3789 -149252.4011 298.4222 -8.6839 25.8996 556685.0591 1.1879 1.1613 PRESSURE: 1903200 -238.749 48.6798 -47.4404 48.6789 -11.2779 146.59 -47.4398 146.591 24.3247 GPRESSURE: 1903200 -139.852 -19.9701 -53.5358 31.8354 -38.8009 53.5082 20.186 167.988 43.1882 PRESSAVG: 1903200 37.4112 -18.1841 28.9616 -18.1841 -78.0398 39.7997 28.9616 39.7996 37.5543 GPRESSAVG: 1903200 37.2806 -15.0469 28.6501 -18.4753 -78.285 41.543 30.1556 38.6533 38.5009 TIMING: 1903200 CPU: 5662.67, 0.0029882/step Wall: 5662.67, 0.0029882/step, 2.57051 hours remaining, 207.292969 MB of memory in use. ENERGY: 1903200 728.8095 2127.9204 1961.1529 88.9266 -206102.4159 17640.1359 0.0000 0.0000 34171.8603 -149383.6103 298.4314 -183555.4706 -149287.0180 299.2496 -75.2340 -45.1550 556769.1619 -1.0248 -0.8345 PRESSURE: 1903400 85.6327 -16.7297 -40.2792 -16.7293 43.6685 3.43974 -40.278 3.44019 217.234 GPRESSURE: 1903400 73.7561 53.9012 -113.236 -55.8303 103.121 -44.2132 27.198 33.029 261.804 PRESSAVG: 1903400 6.41238 31.643 48.7885 31.6431 -4.11109 -45.1737 48.7886 -45.1737 14.9567 GPRESSAVG: 1903400 6.44435 30.8437 46.0472 30.077 -3.8933 -46.1518 50.2616 -45.3459 15.0959 TIMING: 1903400 CPU: 5663.26, 0.00295908/step Wall: 5663.26, 0.00295908/step, 2.5453 hours remaining, 207.292969 MB of memory in use. ENERGY: 1903400 770.9538 2087.4604 1939.9358 113.8346 -206549.7216 17991.6536 0.0000 0.0000 34095.8531 -149550.0303 297.7676 -183645.8834 -149454.4957 298.6366 115.5118 146.2269 555734.3738 5.7527 5.8823 PRESSURE: 1903600 6.90435 -19.0974 54.2617 -19.0982 266.667 -81.5617 54.262 -81.5599 189.14 GPRESSURE: 1903600 39.0045 -31.7739 144.199 53.0471 265.598 -79.5657 89.9994 -58.9604 247.23 PRESSAVG: 1903600 15.2425 -6.47244 -11.6629 -6.47244 3.96342 46.9097 -11.6628 46.9097 -34.7065 GPRESSAVG: 1903600 15.0456 -7.59625 -11.708 -4.07574 4.83418 45.4419 -10.0737 46.656 -35.2033 TIMING: 1903600 CPU: 5663.86, 0.00296942/step Wall: 5663.86, 0.00296942/step, 2.55403 hours remaining, 207.292969 MB of memory in use. ENERGY: 1903600 756.7773 2077.9205 1964.1309 106.4875 -206616.4398 18126.7751 0.0000 0.0000 34234.3230 -149350.0254 298.9769 -183584.3485 -149252.8455 298.3734 154.2370 183.9442 557442.8758 -5.1669 -5.1078 PRESSURE: 1903800 12.961 -23.7542 80.7801 -23.7529 -384.953 115.264 80.7809 115.264 -67.2613 GPRESSURE: 1903800 -31.3135 10.233 25.7708 4.06584 -322.503 115.315 148.857 87.9607 6.58936 PRESSAVG: 1903800 -17.2464 5.38943 23.067 5.38945 -10.3176 -12.8879 23.0669 -12.8878 -0.904654 GPRESSAVG: 1903800 -18.3061 5.72278 25.8629 4.25659 -10.3657 -14.2941 20.5282 -11.9671 -0.208854 TIMING: 1903800 CPU: 5664.45, 0.00296118/step Wall: 5664.45, 0.00296118/step, 2.54678 hours remaining, 207.292969 MB of memory in use. ENERGY: 1903800 726.3397 2121.8967 1951.3668 115.5467 -205797.0030 17460.4328 0.0000 0.0000 34114.0464 -149307.3740 297.9265 -183421.4203 -149213.6543 298.1429 -146.4176 -115.7423 557477.9824 -9.4895 -9.6269 PRESSURE: 1904000 -240.008 -70.6516 -36.2915 -70.6516 40.3572 -8.07336 -36.2922 -8.07228 -120.879 GPRESSURE: 1904000 -192.995 -31.1075 4.578 -147.498 49.1157 -119.128 -117.724 87.1415 -67.8623 PRESSAVG: 1904000 33.2872 -47.2748 -3.16911 -47.2748 -6.37074 -4.21125 -3.16901 -4.21124 44.3855 GPRESSAVG: 1904000 33.5157 -47.6707 -4.264 -47.4788 -6.95396 -2.77063 -2.32274 -4.2707 44.5847 TIMING: 1904000 CPU: 5665.05, 0.00298615/step Wall: 5665.05, 0.00298615/step, 2.56809 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: 1904000 731.8273 2122.3333 1934.9894 113.5458 -205650.6425 17444.4308 0.0000 0.0000 33989.1826 -149314.3334 296.8360 -183303.5160 -149218.2083 298.7745 -106.8431 -70.5804 557039.2323 23.7673 23.7155 PRESSURE: 1904200 -106.706 -64.3894 19.2769 -64.3902 -106.604 4.04432 19.2755 4.04438 -80.7478 GPRESSURE: 1904200 -75.6236 -104.423 -1.25623 -73.8937 -76.3859 -2.12745 14.3095 22.4007 -40.5052 PRESSAVG: 1904200 47.0667 12.3912 34.769 12.3911 5.45923 -25.3429 34.7689 -25.343 -48.5082 GPRESSAVG: 1904200 47.5986 11.5331 35.2637 13.222 5.61562 -25.1661 33.1756 -25.7612 -48.7811 TIMING: 1904200 CPU: 5665.64, 0.002994/step Wall: 5665.64, 0.002994/step, 2.57468 hours remaining, 207.292969 MB of memory in use. ENERGY: 1904200 793.6665 2040.3127 1955.2988 106.9130 -206248.1240 17730.6317 0.0000 0.0000 34431.9972 -149189.3040 300.7032 -183621.3012 -149097.1630 298.9404 -98.0192 -64.1716 555717.1295 1.3392 1.4777 LDB: ============= START OF LOAD BALANCING ============== 5669.07 LDB: ============== END OF LOAD BALANCING =============== 5669.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5669.07 LDB: ============= START OF LOAD BALANCING ============== 5669.38 LDB: Largest compute 4821 load 0.025275 is 21.4% of average load 0.118099 LDB: Average compute 0.001712 is 1.4% of average load 0.118099 LDB: TIME 5669.38 LOAD: AVG 0.118099 MAX 0.198625 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.184 MB LDB: TIME 5669.38 LOAD: AVG 0.118099 MAX 0.198625 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.191 MB LDB: TIME 5669.38 LOAD: AVG 0.118099 MAX 0.198625 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.191 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5669.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5669.38 PRESSURE: 1904400 43.8979 38.6513 66.564 38.6515 354.622 -95.8101 66.5651 -95.8105 259.662 GPRESSURE: 1904400 86.0639 -11.8605 84.601 57.2625 369.472 -148.186 117.013 -119.199 292.823 PRESSAVG: 1904400 -16.7803 31.9561 10.0521 31.9561 16.2861 38.5133 10.0521 38.5134 27.7277 GPRESSAVG: 1904400 -16.8667 32.4138 8.75555 30.4874 14.9045 38.2679 12.2721 37.29 29.1446 TIMING: 1904400 CPU: 5666.26, 0.00305192/step Wall: 5666.26, 0.00305192/step, 2.62431 hours remaining, 207.273438 MB of memory in use. ENERGY: 1904400 719.4160 2143.9725 1970.6575 111.1313 -206168.1117 17987.2864 0.0000 0.0000 33998.9554 -149236.6926 296.9213 -183235.6480 -149139.0566 299.3022 219.3941 249.4530 555039.6380 9.0778 9.0608 PRESSURE: 1904600 8.45071 105.268 -107.48 105.269 -101.06 9.99358 -107.48 9.99583 2.9704 GPRESSURE: 1904600 1.67467 55.8613 -83.8501 148.104 -21.8454 55.4705 -172.121 101.297 26.2635 PRESSAVG: 1904600 -15.657 14.8677 -31.4961 14.8676 18.7389 25.7592 -31.4961 25.7593 5.24042 GPRESSAVG: 1904600 -15.219 16.1484 -30.8927 16.422 19.6321 23.3668 -33.5605 29.3836 3.97324 TIMING: 1904600 CPU: 5666.85, 0.00299784/step Wall: 5666.85, 0.00299784/step, 2.57764 hours remaining, 207.273438 MB of memory in use. ENERGY: 1904600 763.7724 2107.2180 1941.2333 114.8237 -206107.7654 17651.6243 0.0000 0.0000 34509.5686 -149019.5250 301.3806 -183529.0935 -148930.5842 299.5347 -29.8795 2.0309 556762.8049 2.7741 2.7954 PRESSURE: 1904800 54.9854 5.10351 -75.4614 5.10424 137.667 -10.5838 -75.4609 -10.5834 -123.487 GPRESSURE: 1904800 90.1981 42.2743 -53.74 1.60729 214.273 -69.2398 -145.338 -25.0211 -141.956 PRESSAVG: 1904800 30.1622 43.5004 -24.9344 43.5005 1.11144 -32.6987 -24.9343 -32.6986 -43.3942 GPRESSAVG: 1904800 29.9606 43.29 -23.8699 42.7344 2.29247 -32.2088 -22.888 -35.6697 -44.8437 TIMING: 1904800 CPU: 5667.45, 0.002982/step Wall: 5667.45, 0.002982/step, 2.56386 hours remaining, 207.273438 MB of memory in use. ENERGY: 1904800 724.5312 2095.5606 1939.9385 113.5134 -205874.1952 17555.5899 0.0000 0.0000 34438.1132 -149006.9484 300.7566 -183445.0616 -148906.7509 300.4304 23.0552 54.1717 557065.9934 -4.0402 -4.1969 PRESSURE: 1905000 65.9822 12.4412 -2.75772 12.4421 -113.137 7.09479 -2.75697 7.09423 -98.9413 GPRESSURE: 1905000 128.822 25.5797 -73.9281 2.87759 -90.369 15.8172 1.88956 32.0823 -76.9124 PRESSAVG: 1905000 15.5993 -19.6041 45.3751 -19.604 67.0342 -23.9033 45.3751 -23.9033 -77.7291 GPRESSAVG: 1905000 14.4614 -18.0888 44.9601 -19.9399 65.8022 -22.7874 44.9119 -23.6429 -75.2158 TIMING: 1905000 CPU: 5668.05, 0.00300698/step Wall: 5668.05, 0.00300698/step, 2.58517 hours remaining, 207.273438 MB of memory in use. ENERGY: 1905000 720.3977 2111.9166 1952.3826 110.0367 -205689.9317 17602.9082 0.0000 0.0000 34294.3866 -148897.9033 299.5014 -183192.2899 -148802.5245 299.7594 -48.6987 -12.8197 558619.5266 1.6348 1.6826 PRESSURE: 1905200 -190.942 30.2335 7.43432 30.2334 6.53236 -24.9401 7.43457 -24.9409 201.744 GPRESSURE: 1905200 -123.431 25.0191 47.2932 145.093 18.6745 -20.5108 34.7551 24.9067 228.689 PRESSAVG: 1905200 20.9637 -32.648 -10.8359 -32.648 40.4956 3.95428 -10.8358 3.95424 -38.9446 GPRESSAVG: 1905200 21.6789 -35.9532 -13.2376 -31.5134 40.7601 6.22512 -10.8395 2.67444 -40.0138 TIMING: 1905200 CPU: 5668.65, 0.00299475/step Wall: 5668.65, 0.00299475/step, 2.57448 hours remaining, 207.273438 MB of memory in use. ENERGY: 1905200 694.2702 2090.9214 1925.7808 100.1826 -205865.2128 17701.2172 0.0000 0.0000 34294.1530 -149058.6876 299.4994 -183352.8406 -148961.9278 299.5985 5.7782 41.3107 558061.9355 7.5049 7.4751 PRESSURE: 1905400 107.688 -81.9871 70.2622 -81.9847 -74.6455 50.621 70.2617 50.6225 60.8331 GPRESSURE: 1905400 94.8672 -49.1363 55.7247 -111.537 16.6407 -39.1592 49.1733 78.6298 76.4802 PRESSAVG: 1905400 -29.6082 -31.7205 61.4628 -31.7205 -27.7441 17.5246 61.4629 17.5246 18.4201 GPRESSAVG: 1905400 -29.4471 -30.0163 63.455 -31.9753 -28.1645 15.0269 59.8117 17.516 18.5582 TIMING: 1905400 CPU: 5669.25, 0.00299874/step Wall: 5669.25, 0.00299874/step, 2.57775 hours remaining, 207.273438 MB of memory in use. ENERGY: 1905400 745.2746 2082.6541 1950.0474 119.3765 -205877.5074 17856.6834 0.0000 0.0000 34136.3578 -148987.1136 298.1213 -183123.4714 -148895.0665 299.9768 31.2919 62.6627 558862.5612 -12.9774 -13.0178 PRESSURE: 1905600 -102.535 -55.8671 -82.8696 -55.8668 -125.059 -51.8663 -82.8695 -51.8659 -203.324 GPRESSURE: 1905600 -39.5468 -63.6262 -133.834 -76.8827 -105.651 39.8344 -2.03106 -37.7327 -185.03 PRESSAVG: 1905600 19.5006 -43.4747 42.1466 -43.4747 12.4921 -49.7105 42.1466 -49.7106 -30.9995 GPRESSAVG: 1905600 20.0086 -41.956 40.3405 -44.2283 12.5711 -50.4086 43.1449 -48.87 -31.8673 TIMING: 1905600 CPU: 5669.85, 0.0029874/step Wall: 5669.85, 0.0029874/step, 2.56783 hours remaining, 207.273438 MB of memory in use. ENERGY: 1905600 750.6618 2115.5661 1949.8066 126.7586 -205828.6596 17719.0095 0.0000 0.0000 34221.6159 -148945.2410 298.8659 -183166.8569 -148850.1457 299.7127 -143.6394 -110.0757 558801.7352 0.3311 0.2375 PRESSURE: 1905800 -146.068 16.5065 -86.0636 16.5067 -89.4499 -101.645 -86.0651 -101.645 -333.829 GPRESSURE: 1905800 -153.037 8.55215 -59.1462 25.5364 -36.9359 -149.554 -73.64 -99.8847 -286.867 PRESSAVG: 1905800 2.52701 1.73188 11.274 1.73189 23.4621 -34.8051 11.2739 -34.8049 -29.8447 GPRESSAVG: 1905800 1.1849 1.06295 11.0914 1.25511 23.42 -33.5356 11.6204 -36.5938 -28.1447 TIMING: 1905800 CPU: 5670.45, 0.00299582/step Wall: 5670.45, 0.00299582/step, 2.57491 hours remaining, 207.273438 MB of memory in use. ENERGY: 1905800 730.7700 2078.8741 1955.2740 112.9884 -205588.1489 17342.1268 0.0000 0.0000 34426.8012 -148941.3144 300.6578 -183368.1156 -148841.6174 300.4346 -189.7822 -158.9465 556753.2494 -1.2852 -1.1799 PRESSURE: 1906000 -38.2177 -30.4644 -62.3596 -30.4634 154.744 104.668 -62.3586 104.668 -262.908 GPRESSURE: 1906000 -90.0841 -94.9677 -151.091 60.7433 202.519 115.804 -89.0438 137.095 -158.272 PRESSAVG: 1906000 -13.3227 -21.7787 -41.4423 -21.7787 85.2149 20.0043 -41.4423 20.0042 -57.9978 GPRESSAVG: 1906000 -13.1343 -21.6666 -40.0594 -20.7413 85.5469 18.3251 -43.9622 22.0101 -58.6939 TIMING: 1906000 CPU: 5671.05, 0.00299433/step Wall: 5671.05, 0.00299433/step, 2.57346 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: 1906000 762.7843 2111.9692 1946.8999 103.4091 -206296.9820 17736.1764 0.0000 0.0000 34512.0692 -149123.6739 301.4025 -183635.7431 -149025.5867 299.8001 -48.7939 -15.2792 556646.2957 4.6315 4.5729 PRESSURE: 1906200 -80.9119 96.6488 -27.5818 96.6483 -252.461 -41.5724 -27.5823 -41.5733 -188.34 GPRESSURE: 1906200 -33.2618 41.8237 -16.9013 103.825 -231.742 -66.422 0.0240209 10.8588 -170.551 PRESSAVG: 1906200 37.0072 -11.3232 -10.5497 -11.3232 9.95632 -28.9434 -10.5496 -28.9434 -100.111 GPRESSAVG: 1906200 36.832 -11.9028 -10.7921 -11.7319 10.8275 -27.2393 -8.65869 -28.8553 -100.444 TIMING: 1906200 CPU: 5671.65, 0.00299351/step Wall: 5671.65, 0.00299351/step, 2.57259 hours remaining, 207.273438 MB of memory in use. ENERGY: 1906200 760.7037 2071.6055 1949.4317 121.8798 -206247.0773 17765.0289 0.0000 0.0000 34385.2354 -149193.1924 300.2948 -183578.4278 -149088.5576 299.5987 -173.9041 -145.1848 557889.3712 -17.7158 -17.5948 PRESSURE: 1906400 97.2993 -91.8485 90.7597 -91.8477 234.323 118.96 90.7617 118.958 -52.3986 GPRESSURE: 1906400 75.7723 -75.8435 107.29 -148.344 335.149 134.982 40.914 103.131 -17.2049 PRESSAVG: 1906400 -21.807 -25.798 -14.4791 -25.798 71.8845 -20.8878 -14.479 -20.8878 -41.569 GPRESSAVG: 1906400 -20.0504 -24.0094 -15.2861 -27.2155 71.0761 -19.6856 -16.2749 -22.8457 -42.2147 TIMING: 1906400 CPU: 5672.25, 0.00300536/step Wall: 5672.25, 0.00300536/step, 2.58261 hours remaining, 207.273438 MB of memory in use. ENERGY: 1906400 826.5160 2077.5389 1944.6944 97.4879 -206498.0260 18093.2005 0.0000 0.0000 34307.5678 -149151.0203 299.6165 -183458.5881 -149056.7903 299.9360 93.0745 131.2389 557486.0835 2.8362 2.9370 PRESSURE: 1906600 168.986 108.95 -97.2491 108.948 -164.755 54.2807 -97.2488 54.2787 127.421 GPRESSURE: 1906600 271.087 69.1195 -200.097 72.2551 -107.072 133.498 -24.0317 48.0014 63.7985 PRESSAVG: 1906600 -73.8264 -16.6746 -48.1915 -16.6747 40.5092 -15.2245 -48.1916 -15.2246 17.7694 GPRESSAVG: 1906600 -75.7408 -18.0786 -48.3916 -13.3539 40.8785 -18.9782 -46.4179 -13.9123 18.7022 TIMING: 1906600 CPU: 5672.85, 0.0030172/step Wall: 5672.85, 0.0030172/step, 2.59262 hours remaining, 207.273438 MB of memory in use. ENERGY: 1906600 733.8344 2142.2828 1931.2945 110.9283 -205965.2653 17768.2735 0.0000 0.0000 34273.3630 -149005.2888 299.3178 -183278.6518 -148909.3919 299.7957 43.8837 75.9376 558162.7410 -5.1826 -5.3867 PRESSURE: 1906800 -13.711 -73.578 109.533 -73.5786 -12.1372 144.63 109.533 144.629 -290.52 GPRESSURE: 1906800 14.9648 -165.004 52.0012 -61.0113 31.2251 162.572 119.85 163.783 -269.449 PRESSAVG: 1906800 -9.89428 -35.3326 20.7197 -35.3326 -23.3289 24.4849 20.7196 24.4849 0.787924 GPRESSAVG: 1906800 -9.308 -35.8997 21.9466 -36.7235 -24.0927 24.975 20.2153 25.2534 0.732856 TIMING: 1906800 CPU: 5673.45, 0.00298009/step Wall: 5673.45, 0.00298009/step, 2.56056 hours remaining, 207.273438 MB of memory in use. ENERGY: 1906800 754.9831 2087.3613 1947.5975 113.8600 -206199.4582 17837.2575 0.0000 0.0000 34508.2341 -148950.1648 301.3690 -183458.3989 -148855.8072 299.9167 -105.4562 -74.4198 559466.2748 -10.8118 -10.8893 PRESSURE: 1907000 -262.545 -2.34975 -105.413 -2.35073 -82.2274 118.937 -105.413 118.936 -211.729 GPRESSURE: 1907000 -184.453 23.721 3.98967 44.2749 -117.225 148.007 -192.253 31.0961 -172.974 PRESSAVG: 1907000 56.2725 -12.5407 30.3272 -12.5407 -14.1734 61.6405 30.3271 61.6404 -21.2094 GPRESSAVG: 1907000 56.619 -11.9095 28.2626 -13.2672 -14.475 61.2419 30.6648 61.3188 -21.0891 TIMING: 1907000 CPU: 5674.04, 0.00298973/step Wall: 5674.04, 0.00298973/step, 2.56867 hours remaining, 207.273438 MB of memory in use. ENERGY: 1907000 764.8096 2094.7644 1953.1317 114.6961 -205869.0511 17623.9958 0.0000 0.0000 34463.1494 -148854.5042 300.9753 -183317.6536 -148758.2235 300.5561 -185.5007 -158.2173 558090.1170 6.9632 7.0183 PRESSURE: 1907200 -176.727 8.68376 -4.6874 8.68448 -332.494 63.79 -4.68858 63.7909 -201.38 GPRESSURE: 1907200 -146.526 85.4913 18.9494 -27.5675 -263.956 115.77 48.8853 100.046 -207.488 PRESSAVG: 1907200 91.6247 -47.2062 -28.1268 -47.2062 -93.4776 16.5964 -28.1267 16.5964 16.7882 GPRESSAVG: 1907200 91.846 -47.7155 -26.2513 -47.5409 -94.3483 16.2108 -29.2033 16.5254 17.7265 TIMING: 1907200 CPU: 5674.65, 0.00300556/step Wall: 5674.65, 0.00300556/step, 2.58211 hours remaining, 207.273438 MB of memory in use. ENERGY: 1907200 738.4862 2143.5954 1957.8095 113.6456 -205803.8942 17483.8387 0.0000 0.0000 34361.2551 -149005.2637 300.0854 -183366.5187 -148904.3397 300.6179 -236.8673 -205.9900 558130.1422 4.9784 5.0747 PRESSURE: 1907400 -11.8402 112.077 18.8393 112.076 62.7046 110.072 18.8417 110.074 -23.0159 GPRESSURE: 1907400 71.703 66.7775 37.1974 113.331 50.4395 -3.80748 41.7953 98.0871 12.0182 PRESSAVG: 1907400 -31.8576 23.4012 8.63664 23.4012 6.6808 15.9043 8.63666 15.9042 29.1749 GPRESSAVG: 1907400 -31.3266 24.7264 10.121 23.4509 7.50229 16.343 8.48928 16.6405 27.4607 TIMING: 1907400 CPU: 5675.24, 0.00298416/step Wall: 5675.24, 0.00298416/step, 2.56356 hours remaining, 207.273438 MB of memory in use. ENERGY: 1907400 731.7246 2082.4743 1941.7863 125.6746 -206078.6114 17817.3340 0.0000 0.0000 34157.8793 -149221.7382 298.3093 -183379.6175 -149126.2412 299.8662 9.2828 44.7202 558135.2254 1.3327 1.2121 PRESSURE: 1907600 -60.1661 188.248 98.4773 188.247 -19.983 -84.7033 98.478 -84.7017 -51.2388 GPRESSURE: 1907600 -26.8418 165.497 24.7052 181.735 18.294 -39.9559 151.15 -121.465 -26.9873 PRESSAVG: 1907600 -40.5699 -30.9823 -6.10021 -30.9823 -25.663 35.8891 -6.10025 35.889 40.6276 GPRESSAVG: 1907600 -42.06 -32.7169 -8.76495 -30.868 -26.1625 36.3614 -5.10219 34.6163 42.1085 TIMING: 1907600 CPU: 5675.83, 0.00295994/step Wall: 5675.83, 0.00295994/step, 2.54259 hours remaining, 207.273438 MB of memory in use. ENERGY: 1907600 701.4100 2091.0279 1931.9632 119.6110 -206250.0590 17734.1755 0.0000 0.0000 34234.4855 -149437.3858 298.9783 -183671.8713 -149335.7297 299.1127 -43.7960 -11.8450 556026.0351 -8.5351 -8.7047 PRESSURE: 1907800 -226.176 -44.4539 -13.9539 -44.4539 38.9088 22.5283 -13.9521 22.5282 -126.036 GPRESSURE: 1907800 -199.683 -105.837 -49.4153 -65.7825 49.1759 55.6384 48.7539 27.7854 -61.3607 PRESSAVG: 1907800 45.267 -23.9864 -13.1428 -23.9865 23.8678 24.9619 -13.1427 24.9618 -53.7112 GPRESSAVG: 1907800 44.2091 -25.0404 -12.4972 -22.9982 23.6817 23.7215 -11.9256 25.6704 -52.8776 TIMING: 1907800 CPU: 5676.43, 0.00296799/step Wall: 5676.43, 0.00296799/step, 2.54934 hours remaining, 207.273438 MB of memory in use. ENERGY: 1907800 748.8852 2130.6819 1959.3177 112.9287 -206245.5512 17641.3315 0.0000 0.0000 34104.5472 -149547.8590 297.8435 -183652.4062 -149455.1627 298.6982 -104.4345 -70.6227 556518.2361 5.1412 5.0044 PRESSURE: 1908000 127.811 263.513 -2.09098 263.513 12.7634 -109.146 -2.09024 -109.146 -52.2986 GPRESSURE: 1908000 183.223 210.082 -45.4056 190.666 54.8476 -11.8436 84.4948 -156.435 -43.8394 PRESSAVG: 1908000 -2.50844 30.4623 -44.9624 30.4622 26.6339 -15.9825 -44.9624 -15.9825 -6.05572 GPRESSAVG: 1908000 -0.450933 32.7124 -42.6174 29.1606 25.618 -15.3711 -47.4917 -16.7284 -6.93453 TIMING: 1908000 CPU: 5677.03, 0.00299542/step Wall: 5677.03, 0.00299542/step, 2.57273 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: 1908000 701.3124 2121.3105 1950.8004 107.4826 -206298.5797 17817.8490 0.0000 0.0000 34170.2455 -149429.5794 298.4173 -183599.8249 -149329.5532 298.0021 29.4253 64.7438 557466.0598 6.0232 6.0775 PRESSURE: 1908200 -246.505 28.7428 -34.159 28.7413 -220.914 251.343 -34.1591 251.342 -221.687 GPRESSURE: 1908200 -200.134 76.3436 13.6639 25.2069 -221.951 229.663 20.6259 215.965 -177.948 PRESSAVG: 1908200 -8.8114 -5.97814 19.7595 -5.97826 47.5572 -16.5192 19.7595 -16.5192 -7.55778 GPRESSAVG: 1908200 -8.65438 -6.27912 18.3791 -5.90978 48.4027 -17.8669 21.6927 -14.9783 -8.43326 TIMING: 1908200 CPU: 5677.63, 0.00299788/step Wall: 5677.63, 0.00299788/step, 2.57468 hours remaining, 207.273438 MB of memory in use. ENERGY: 1908200 784.4292 2123.5008 1907.2869 111.5175 -206311.2698 17758.7134 0.0000 0.0000 34287.7408 -149338.0812 299.4434 -183625.8220 -149241.4772 299.0167 -229.7020 -200.0110 558330.4373 10.3960 10.4383 LDB: ============= START OF LOAD BALANCING ============== 5681.05 LDB: ============== END OF LOAD BALANCING =============== 5681.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5681.06 LDB: ============= START OF LOAD BALANCING ============== 5681.36 LDB: Largest compute 4821 load 0.025589 is 21.7% of average load 0.118009 LDB: Average compute 0.001713 is 1.5% of average load 0.118009 LDB: TIME 5681.36 LOAD: AVG 0.118009 MAX 0.199749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.062 MB LDB: TIME 5681.36 LOAD: AVG 0.118009 MAX 0.199749 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: TIME 5681.36 LOAD: AVG 0.118009 MAX 0.199749 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5681.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5681.37 PRESSURE: 1908400 -85.4523 -24.2515 16.6186 -24.251 -287.137 78.8843 16.6194 78.8857 -84.5472 GPRESSURE: 1908400 -24.411 56.4035 -12.0205 -21.1217 -265.632 24.1921 74.2044 125.852 -79.5231 PRESSAVG: 1908400 65.4941 -4.94325 41.2266 -4.94329 -61.2331 23.3313 41.2265 23.3312 -17.0553 GPRESSAVG: 1908400 63.4284 -5.86063 40.6074 -5.31186 -61.1015 23.4025 40.7161 23.6966 -16.0837 TIMING: 1908400 CPU: 5678.24, 0.00305348/step Wall: 5678.24, 0.00305348/step, 2.62226 hours remaining, 205.429688 MB of memory in use. ENERGY: 1908400 749.6458 2081.3809 1986.1869 112.7060 -205853.9834 17541.9091 0.0000 0.0000 34296.9670 -149085.1877 299.5239 -183382.1546 -148988.0595 299.8790 -152.3787 -123.1887 557962.7007 -4.2648 -4.5856 PRESSURE: 1908600 109.023 -39.5889 -42.1488 -39.588 -230.205 -62.3351 -42.1487 -62.3358 -15.7702 GPRESSURE: 1908600 117.43 -31.6403 9.61284 -36.7435 -180.588 -118.483 -31.1534 -109.347 14.4004 PRESSAVG: 1908600 6.48397 -16.405 1.37997 -16.405 14.5492 15.8575 1.37992 15.8575 17.8832 GPRESSAVG: 1908600 7.31771 -15.7634 2.1535 -14.8891 14.2205 17.5509 3.12648 14.6502 17.4677 TIMING: 1908600 CPU: 5678.83, 0.00298042/step Wall: 5678.83, 0.00298042/step, 2.55935 hours remaining, 205.429688 MB of memory in use. ENERGY: 1908600 741.6755 2123.4787 1956.2392 113.8185 -206104.7145 17739.4462 0.0000 0.0000 34456.1802 -148973.8761 300.9144 -183430.0563 -148875.7827 299.9383 -45.6507 -16.2525 557702.8712 12.9721 13.0020 PRESSURE: 1908800 24.3752 61.8362 -0.975247 61.8355 -391.572 105.826 -0.974311 105.825 6.78181 GPRESSURE: 1908800 81.2215 59.9502 -54.2154 69.5876 -409.559 3.28131 61.2571 187.766 61.2613 PRESSAVG: 1908800 36.2229 21.052 -9.33397 21.052 -32.6739 41.083 -9.334 41.083 3.06449 GPRESSAVG: 1908800 35.6021 19.7269 -9.89366 21.2095 -31.8737 39.5559 -10.0458 42.3658 3.0774 TIMING: 1908800 CPU: 5679.43, 0.0029679/step Wall: 5679.43, 0.0029679/step, 2.54843 hours remaining, 205.429688 MB of memory in use. ENERGY: 1908800 800.3872 2113.6705 1951.4115 108.9850 -206000.2554 17689.6870 0.0000 0.0000 34149.5225 -149186.5917 298.2363 -183336.1142 -149100.0489 300.0962 -120.1384 -89.0253 557970.5687 2.2045 2.2686 PRESSURE: 1909000 31.3104 -204.896 52.8848 -204.896 31.7135 -12.06 52.8859 -12.0599 192.941 GPRESSURE: 1909000 61.851 -134.89 85.9497 -179.961 59.7555 -31.223 65.7019 -16.7227 242.771 PRESSAVG: 1909000 9.22341 -8.80826 58.5819 -8.80825 -1.42613 22.51 58.582 22.51 -3.34123 GPRESSAVG: 1909000 10.5771 -7.52392 56.6773 -10.9899 -2.72064 23.6012 60.9492 22.8484 -3.03343 TIMING: 1909000 CPU: 5680.02, 0.0029887/step Wall: 5680.02, 0.0029887/step, 2.56613 hours remaining, 205.429688 MB of memory in use. ENERGY: 1909000 766.9601 2075.6892 1922.1838 112.3872 -206612.1569 18052.7260 0.0000 0.0000 34446.7354 -149235.4751 300.8319 -183682.2106 -149133.5024 299.3436 85.3215 121.4593 558207.4237 1.4853 1.6077 PRESSURE: 1909200 -187.731 127.425 -88.6099 127.423 48.1337 71.9355 -88.6101 71.9352 -191.111 GPRESSURE: 1909200 -189.041 72.0649 -94.4724 138.785 26.0029 -24.1493 -14.8292 146.892 -81.3754 PRESSAVG: 1909200 44.5869 -3.06413 -41.3323 -3.06428 7.28443 4.36706 -41.3323 4.3672 -40.6323 GPRESSAVG: 1909200 43.4492 -3.75845 -39.5271 -0.720979 8.45925 4.11624 -43.1706 3.50886 -40.8173 TIMING: 1909200 CPU: 5680.63, 0.00300346/step Wall: 5680.63, 0.00300346/step, 2.57864 hours remaining, 205.429688 MB of memory in use. ENERGY: 1909200 763.7654 2112.9057 1912.7464 114.1834 -206366.6913 17853.0800 0.0000 0.0000 34479.2628 -149130.7477 301.1160 -183610.0104 -149030.2591 299.6967 -110.2362 -81.4711 558912.7347 3.7464 3.6971 PRESSURE: 1909400 -95.3427 -61.0157 -6.26188 -61.0164 25.9767 -8.48838 -6.26211 -8.4877 57.7348 GPRESSURE: 1909400 -51.6176 -134.938 -20.1835 -16.0075 56.2037 -57.8545 11.105 4.26179 75.9572 PRESSAVG: 1909400 47.0041 46.2103 8.78984 46.2103 1.58589 9.51967 8.78983 9.51967 -10.8724 GPRESSAVG: 1909400 47.2515 45.8422 10.0067 46.4065 1.78485 9.12913 8.31352 9.96006 -11.762 TIMING: 1909400 CPU: 5681.23, 0.00302438/step Wall: 5681.23, 0.00302438/step, 2.59643 hours remaining, 205.429688 MB of memory in use. ENERGY: 1909400 780.1595 2132.9855 1945.8707 117.0027 -206655.9231 18018.0982 0.0000 0.0000 34411.3778 -149250.4288 300.5231 -183661.8066 -149157.0098 299.6738 -3.8771 26.8478 557401.1226 12.5725 12.4248 PRESSURE: 1909600 46.9561 20.808 94.616 20.8078 29.3755 -70.8793 94.6159 -70.8789 -197.142 GPRESSURE: 1909600 94.0487 43.784 70.5671 21.4207 48.7842 -58.4311 123.225 -56.4031 -169.675 PRESSAVG: 1909600 29.7318 42.8223 15.9908 42.8223 -35.8997 63.0873 15.9906 63.0874 -23.551 GPRESSAVG: 1909600 29.6814 43.5269 12.3672 40.7378 -37.002 62.9346 16.9654 62.1087 -22.46 TIMING: 1909600 CPU: 5681.83, 0.00298873/step Wall: 5681.83, 0.00298873/step, 2.56566 hours remaining, 205.429688 MB of memory in use. ENERGY: 1909600 712.4424 2142.9738 1937.9685 121.6416 -206251.6747 17748.6683 0.0000 0.0000 34498.1122 -149089.8678 301.2806 -183587.9800 -148985.4598 300.3047 -40.2703 -8.9473 558629.9956 -9.9063 -9.9269 PRESSURE: 1909800 -553.649 -2.919 -102.179 -2.91897 52.1544 94.2305 -102.181 94.23 194.691 GPRESSURE: 1909800 -485.129 73.7348 -177.51 -3.99656 49.0335 -38.516 -71.0963 49.3828 227.369 PRESSAVG: 1909800 5.87854 -10.1928 12.6831 -10.1928 22.4459 29.0744 12.6832 29.0744 -41.5605 GPRESSAVG: 1909800 4.87389 -8.76963 14.7491 -9.2505 23.7504 28.4972 10.1954 29.3265 -42.2232 TIMING: 1909800 CPU: 5682.42, 0.00297949/step Wall: 5682.42, 0.00297949/step, 2.55756 hours remaining, 205.429688 MB of memory in use. ENERGY: 1909800 729.7375 2094.9425 1936.9478 113.0330 -206219.9282 17704.1221 0.0000 0.0000 34278.0864 -149363.0590 299.3591 -183641.1454 -149262.0043 299.7163 -102.2682 -69.5755 558665.4571 -4.4120 -4.5330 PRESSURE: 1910000 142.02 123.731 48.1975 123.731 284.572 -90.6973 48.1953 -90.6976 137.484 GPRESSURE: 1910000 142.554 134.474 -37.5733 137.092 346.056 -10.1884 44.3934 -112.508 167.915 PRESSAVG: 1910000 66.1052 82.195 15.6764 82.195 -13.7671 -16.3549 15.6764 -16.3548 -56.3341 GPRESSAVG: 1910000 66.9232 80.8489 16.6817 81.3918 -15.3178 -15.307 16.6391 -19.4768 -55.7914 TIMING: 1910000 CPU: 5683.02, 0.00298983/step Wall: 5683.02, 0.00298983/step, 2.56627 hours remaining, 205.429688 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: 1910000 695.4523 2145.2525 1931.1146 111.8684 -206492.0007 18077.8404 0.0000 0.0000 34197.6423 -149332.8302 298.6565 -183530.4725 -149239.0668 299.0301 188.0254 218.8416 557413.2493 -1.3320 -1.3953 PRESSURE: 1910200 -243.807 -35.9366 62.6675 -35.9367 -125.09 5.17127 62.6677 5.16941 -140.728 GPRESSURE: 1910200 -262.28 -47.1688 40.9083 -30.9997 -51.9763 86.2604 -24.7697 -47.0594 -90.0811 PRESSAVG: 1910200 60.4686 15.3283 40.0855 15.3282 -27.8693 26.0252 40.0854 26.0252 -20.2064 GPRESSAVG: 1910200 59.1695 14.8974 40.9149 17.0123 -27.38 24.3562 40.7387 28.5286 -19.5432 TIMING: 1910200 CPU: 5683.62, 0.00300091/step Wall: 5683.62, 0.00300091/step, 2.57561 hours remaining, 205.429688 MB of memory in use. ENERGY: 1910200 757.4017 2050.3581 1924.8845 99.3708 -205910.6881 17568.3314 0.0000 0.0000 34196.0594 -149314.2823 298.6427 -183510.3417 -149215.2163 299.4425 -169.8747 -134.7793 557602.4236 4.1309 4.0821 PRESSURE: 1910400 83.6938 90.6007 59.4311 90.5995 -133.341 -64.7528 59.4293 -64.7511 174.781 GPRESSURE: 1910400 158.776 115.518 90.3235 17.5062 -92.3301 -54.6225 29.4902 -121.898 148.167 PRESSAVG: 1910400 78.0565 26.9392 2.34228 26.9392 -42.8629 -62.7312 2.34218 -62.7311 -31.2696 GPRESSAVG: 1910400 78.653 28.2507 2.07662 24.4341 -42.1197 -61.8182 0.891528 -61.4845 -32.7134 TIMING: 1910400 CPU: 5684.21, 0.00295638/step Wall: 5684.21, 0.00295638/step, 2.53723 hours remaining, 205.429688 MB of memory in use. ENERGY: 1910400 705.0612 2041.2584 1923.5051 98.5886 -206211.7334 17878.9872 0.0000 0.0000 34424.4021 -149139.9307 300.6369 -183564.3328 -149039.7434 299.7779 41.7114 71.5374 556631.4964 1.3080 1.2733 PRESSURE: 1910600 -124.341 -120.211 -30.8609 -120.212 14.7652 18.4624 -30.8617 18.462 -129.653 GPRESSURE: 1910600 -93.8626 -169.199 -53.7902 -145.316 -9.83065 70.7028 -21.2424 -81.6907 -33.9963 PRESSAVG: 1910600 14.5251 17.8097 28.1722 17.8097 0.836383 26.4709 28.1722 26.471 -14.8288 GPRESSAVG: 1910600 15.3693 17.936 27.2868 17.5338 0.0944909 28.5969 30.8899 21.7036 -14.6797 TIMING: 1910600 CPU: 5684.8, 0.00295575/step Wall: 5684.8, 0.00295575/step, 2.53652 hours remaining, 205.429688 MB of memory in use. ENERGY: 1910600 723.7639 2096.6739 1952.3414 116.2089 -206398.6401 17760.1211 0.0000 0.0000 34420.3725 -149329.1583 300.6017 -183749.5309 -149241.6243 299.9711 -79.7430 -45.8965 556988.2514 0.1776 0.2614 PRESSURE: 1910800 -136.269 -29.443 145.857 -29.4429 -123.623 118.351 145.856 118.351 -236.3 GPRESSURE: 1910800 -53.966 17.5988 65.9681 28.1123 -90.6129 89.7528 166.741 40.1221 -249.52 PRESSAVG: 1910800 93.8439 -8.10078 -1.35966 -8.10074 -50.3186 -19.6882 -1.35972 -19.6883 -10.2595 GPRESSAVG: 1910800 92.5607 -9.56057 1.48656 -6.35412 -49.3111 -19.2818 -3.44306 -16.2838 -9.51835 TIMING: 1910800 CPU: 5685.4, 0.00295788/step Wall: 5685.4, 0.00295788/step, 2.53819 hours remaining, 205.429688 MB of memory in use. ENERGY: 1910800 738.1260 2111.1983 1950.0551 104.6260 -206455.3775 17787.5894 0.0000 0.0000 34436.0624 -149327.7203 300.7387 -183763.7827 -149225.2173 300.0382 -165.3971 -131.3663 558424.1461 11.0886 11.2437 PRESSURE: 1911000 -18.1572 3.09719 -192.303 3.09746 -115.542 133.387 -192.303 133.387 -2.16478 GPRESSURE: 1911000 88.5725 -42.9535 -177.849 35.4094 -168.147 116.214 -141.477 115.394 19.1831 PRESSAVG: 1911000 -15.5315 -11.5528 -0.661992 -11.5528 -42.3708 48.6608 -0.661977 48.6608 30.0491 GPRESSAVG: 1911000 -14.1354 -10.4125 -2.38906 -12.408 -43.5723 47.6382 -1.33768 46.4569 29.9015 TIMING: 1911000 CPU: 5685.99, 0.00297595/step Wall: 5685.99, 0.00297595/step, 2.55353 hours remaining, 205.429688 MB of memory in use. ENERGY: 1911000 731.2902 2069.8577 1961.1759 111.8181 -206316.8435 17741.2530 0.0000 0.0000 34357.7201 -149343.7285 300.0545 -183701.4486 -149238.6725 298.9362 -45.2881 -20.1303 557055.2720 -9.2844 -9.2687 PRESSURE: 1911200 -184.118 111.611 57.5897 111.61 -39.4887 -112.584 57.5899 -112.584 28.1862 GPRESSURE: 1911200 -128.832 97.2692 82.5566 133.594 -2.04337 -71.3458 55.5487 -147.981 39.0894 PRESSAVG: 1911200 23.0027 27.1147 43.4788 27.1147 -29.6132 -44.3387 43.4788 -44.3386 48.1066 GPRESSAVG: 1911200 20.7308 26.7345 44.1527 28.3718 -29.7625 -44.9539 44.4477 -42.2681 49.8174 TIMING: 1911200 CPU: 5686.58, 0.00296364/step Wall: 5686.58, 0.00296364/step, 2.5428 hours remaining, 205.429688 MB of memory in use. ENERGY: 1911200 770.1268 2053.9616 1943.3142 96.4227 -206175.4239 17731.7698 0.0000 0.0000 34210.6366 -149369.1923 298.7700 -183579.8289 -149279.0547 299.0562 -65.1402 -30.5954 556666.5424 13.8320 13.5952 PRESSURE: 1911400 40.2034 49.6568 28.0509 49.6583 44.4635 -145.721 28.0523 -145.722 62.937 GPRESSURE: 1911400 64.9077 102.666 56.1852 124.051 92.637 -121.542 2.48872 -145.092 90.9517 PRESSAVG: 1911400 -22.0336 8.65964 11.6066 8.65955 -8.07078 -18.8065 11.6066 -18.8065 47.453 GPRESSAVG: 1911400 -21.6013 8.16014 11.0632 9.50274 -8.40969 -19.7967 11.9961 -18.8198 46.8062 TIMING: 1911400 CPU: 5687.18, 0.00296358/step Wall: 5687.18, 0.00296358/step, 2.54259 hours remaining, 205.429688 MB of memory in use. ENERGY: 1911400 717.7144 2129.0578 1963.5168 114.4702 -206096.0204 17855.0265 0.0000 0.0000 34033.2367 -149282.9980 297.2207 -183316.2348 -149185.6193 298.1684 49.2013 82.8321 557216.6499 5.7829 5.5984 PRESSURE: 1911600 3.04483 19.9699 32.7549 19.9684 -91.818 34.2515 32.7548 34.2515 28.5476 GPRESSURE: 1911600 72.3093 65.2751 -49.1122 -14.2118 -12.7961 -4.89294 103.978 135.757 -19.3159 PRESSAVG: 1911600 -10.0988 10.27 -24.023 10.2698 -11.9385 -76.0604 -24.023 -76.0604 67.4937 GPRESSAVG: 1911600 -8.56918 10.9454 -24.9912 9.75334 -12.1118 -74.8066 -25.1803 -76.0647 66.4996 TIMING: 1911600 CPU: 5687.78, 0.00299703/step Wall: 5687.78, 0.00299703/step, 2.57112 hours remaining, 205.429688 MB of memory in use. ENERGY: 1911600 774.3171 2135.0108 1932.1956 116.7385 -206065.3134 17720.1140 0.0000 0.0000 34128.6694 -149258.2680 298.0542 -183386.9374 -149161.2905 298.7124 -20.0752 13.3991 556032.8990 15.1521 15.2729 PRESSURE: 1911800 -19.3293 -88.3876 3.03562 -88.3875 -88.7113 -147.768 3.03608 -147.768 192.16 GPRESSURE: 1911800 58.2316 -54.3144 -63.1347 -70.1621 -62.6894 -125.106 98.6145 -147.722 206.256 PRESSAVG: 1911800 -20.8854 -51.9034 -24.2877 -51.9035 -47.0159 -48.437 -24.2878 -48.437 104.682 GPRESSAVG: 1911800 -21.5204 -52.2687 -23.2868 -53.3469 -47.0975 -47.4777 -24.7329 -48.3641 105.597 TIMING: 1911800 CPU: 5688.37, 0.0029685/step Wall: 5688.37, 0.0029685/step, 2.54647 hours remaining, 205.429688 MB of memory in use. ENERGY: 1911800 741.2177 2076.0530 1935.7823 104.3996 -205798.5080 17648.9987 0.0000 0.0000 34325.6138 -148966.4429 299.7741 -183292.0567 -148871.4220 299.8012 28.0399 67.2662 556512.4430 12.2603 12.3263 PRESSURE: 1912000 57.6282 -52.2137 -46.4721 -52.2145 119.661 -35.6593 -46.4712 -35.6596 205.211 GPRESSURE: 1912000 77.2618 -70.4081 -125.02 -159.369 141.921 40.6158 44.6086 -37.724 270.158 PRESSAVG: 1912000 105.905 -6.95372 -41.8332 -6.95376 -38.8185 -5.33236 -41.8332 -5.33248 -10.8733 GPRESSAVG: 1912000 105.519 -7.39258 -42.9875 -6.23555 -37.9485 -6.9042 -41.4168 -5.90574 -11.3474 TIMING: 1912000 CPU: 5688.97, 0.00297889/step Wall: 5688.97, 0.00297889/step, 2.55523 hours remaining, 205.429688 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: 1912000 736.2861 2118.5660 1940.8897 126.7575 -206108.1066 17968.7639 0.0000 0.0000 34395.5806 -148821.2628 300.3852 -183216.8434 -148724.0271 300.3707 127.5004 163.1137 556766.0956 18.7376 18.7410 PRESSURE: 1912200 -53.8027 32.2718 -133.188 32.2725 -333.367 -98.4893 -133.188 -98.488 -354.991 GPRESSURE: 1912200 7.14469 33.7096 -96.1808 91.505 -305.296 -16.0424 -111.658 -159.034 -353.578 PRESSAVG: 1912200 17.4266 -4.03162 -9.91865 -4.03169 -43.0569 52.4744 -9.9186 52.4743 21.4656 GPRESSAVG: 1912200 16.2844 -4.27495 -10.1819 -3.68286 -41.6112 52.7121 -8.94864 54.3133 21.2486 TIMING: 1912200 CPU: 5689.56, 0.00297549/step Wall: 5689.56, 0.00297549/step, 2.55214 hours remaining, 205.429688 MB of memory in use. ENERGY: 1912200 776.9429 2094.8608 1964.4973 119.6753 -205741.2686 17441.8541 0.0000 0.0000 34290.9767 -149052.4615 299.4716 -183343.4382 -148958.7428 299.7471 -247.3867 -217.2429 557901.7465 -1.3882 -1.3594 LDB: ============= START OF LOAD BALANCING ============== 5692.99 LDB: ============== END OF LOAD BALANCING =============== 5692.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5692.99 LDB: ============= START OF LOAD BALANCING ============== 5693.29 LDB: Largest compute 4821 load 0.023085 is 19.6% of average load 0.118026 LDB: Average compute 0.001711 is 1.4% of average load 0.118026 LDB: TIME 5693.29 LOAD: AVG 0.118026 MAX 0.200458 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 5693.29 LOAD: AVG 0.118026 MAX 0.200458 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 5693.29 LOAD: AVG 0.118026 MAX 0.200458 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5693.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5693.3 PRESSURE: 1912400 159.224 -104.047 -110.17 -104.047 -124.748 -153.188 -110.171 -153.189 47.5308 GPRESSURE: 1912400 138.103 -49.8701 -115.57 -112.169 -102.772 -174.308 0.194978 -220.47 128.981 PRESSAVG: 1912400 -19.9459 8.08597 -17.7297 8.08596 -61.5382 -8.54308 -17.7296 -8.5431 56.1327 GPRESSAVG: 1912400 -20.0796 8.89122 -17.8507 6.44463 -61.6287 -8.46641 -16.7745 -10.1582 56.1856 TIMING: 1912400 CPU: 5690.17, 0.00303308/step Wall: 5690.17, 0.00303308/step, 2.60137 hours remaining, 206.453125 MB of memory in use. ENERGY: 1912400 758.6510 2077.7373 1970.0680 110.1695 -206004.8158 17842.0554 0.0000 0.0000 34180.7465 -149065.3881 298.5090 -183246.1346 -148970.9755 299.0224 27.3355 54.7708 558663.9936 -8.4505 -8.5076 PRESSURE: 1912600 -220.943 105.105 -24.3164 105.104 -327.285 -183.823 -24.3166 -183.824 -138.043 GPRESSURE: 1912600 -124.462 95.5931 -54.13 44.2608 -293.511 -164.441 0.378259 -154.219 -171.408 PRESSAVG: 1912600 -17.5218 -25.3092 30.3573 -25.3092 2.38013 -4.1132 30.3574 -4.1132 52.8082 GPRESSAVG: 1912600 -15.9768 -24.6735 33.2641 -23.7034 1.37216 -2.63053 28.5271 -4.78358 52.7263 TIMING: 1912600 CPU: 5690.77, 0.00300132/step Wall: 5690.77, 0.00300132/step, 2.57396 hours remaining, 206.453125 MB of memory in use. ENERGY: 1912600 797.0911 2131.0904 1931.3022 113.3967 -205805.0852 17589.1432 0.0000 0.0000 34264.6849 -148978.3766 299.2420 -183243.0616 -148884.0655 300.4169 -228.7571 -196.4603 558316.3138 12.5555 12.7072 PRESSURE: 1912800 -143.789 -137.684 -160.502 -137.685 51.2895 -110.472 -160.503 -110.471 193.234 GPRESSURE: 1912800 -106.93 -81.176 -179.703 -166.042 94.6717 -98.8793 -93.7815 -105.609 214.55 PRESSAVG: 1912800 -30.424 -38.6661 30.9617 -38.666 -32.3678 -24.7877 30.9617 -24.7879 37.776 GPRESSAVG: 1912800 -30.9637 -41.2545 29.8165 -37.2553 -32.2352 -22.6247 30.9602 -25.2865 37.837 TIMING: 1912800 CPU: 5691.37, 0.0030084/step Wall: 5691.37, 0.0030084/step, 2.57987 hours remaining, 206.453125 MB of memory in use. ENERGY: 1912800 772.5937 2148.7396 1944.0161 112.5760 -206127.2072 17975.6711 0.0000 0.0000 34179.6499 -148993.9608 298.4994 -183173.6107 -148902.0901 299.8890 33.5784 67.4307 556935.5814 -8.3386 -8.4540 PRESSURE: 1913000 -159.31 -92.4752 102.75 -92.4757 -55.6102 186.835 102.75 186.835 -183.479 GPRESSURE: 1913000 -106.497 -185.511 60.1925 -38.8497 -43.3588 155.516 60.3351 268.206 -150.952 PRESSAVG: 1913000 0.142056 -3.25073 -17.5333 -3.25075 -9.06728 3.71698 -17.5333 3.71703 89.5161 GPRESSAVG: 1913000 -0.504232 -0.884028 -18.5142 -3.38191 -9.63746 1.98471 -17.3445 5.83693 90.9272 TIMING: 1913000 CPU: 5691.97, 0.00298252/step Wall: 5691.97, 0.00298252/step, 2.55751 hours remaining, 206.453125 MB of memory in use. ENERGY: 1913000 740.6406 2081.1817 1922.9588 111.5562 -205883.7140 17498.9513 0.0000 0.0000 34236.2815 -149292.1439 298.9940 -183528.4254 -149197.4662 298.9705 -132.7998 -100.2693 557238.6276 26.8636 26.9285 PRESSURE: 1913200 149.285 17.6308 -26.0567 17.6294 66.7442 -0.294595 -26.0565 -0.294395 -188.822 GPRESSURE: 1913200 153.249 24.3978 -36.9275 57.8258 105.629 -94.6832 -97.521 4.71876 -136.016 PRESSAVG: 1913200 -21.2523 -49.9884 -4.43088 -49.9883 21.0349 72.0297 -4.43087 72.0297 41.819 GPRESSAVG: 1913200 -21.6703 -52.3006 -4.95594 -49.7328 21.9212 73.9551 -5.25685 70.3756 41.1494 TIMING: 1913200 CPU: 5692.56, 0.00298171/step Wall: 5692.56, 0.00298171/step, 2.55665 hours remaining, 206.453125 MB of memory in use. ENERGY: 1913200 745.1240 2089.6842 1957.8852 114.2541 -206521.8745 17910.5025 0.0000 0.0000 34222.6534 -149481.7710 298.8749 -183704.4244 -149384.9708 299.1016 9.0690 40.9537 557343.3271 13.8672 13.8001 PRESSURE: 1913400 -224.414 91.215 136.811 91.2154 -249.914 -17.2029 136.811 -17.2043 -231.277 GPRESSURE: 1913400 -169.82 5.9475 59.269 199.025 -227.369 83.4899 244.29 -8.01585 -211.686 PRESSAVG: 1913400 6.37143 4.9921 -21.7689 4.99198 -34.1425 8.37513 -21.769 8.37507 23.7316 GPRESSAVG: 1913400 7.55335 8.2694 -20.6958 3.17746 -35.9283 7.92239 -21.4038 8.73723 24.3214 TIMING: 1913400 CPU: 5693.16, 0.00297403/step Wall: 5693.16, 0.00297403/step, 2.5499 hours remaining, 206.453125 MB of memory in use. ENERGY: 1913400 725.0713 2131.0529 1966.6362 114.3324 -206349.6188 17633.9049 0.0000 0.0000 34183.7598 -149594.8613 298.5353 -183778.6211 -149497.9262 297.9810 -235.2018 -202.9585 559024.8753 -1.3465 -1.3512 PRESSURE: 1913600 -309.885 143.722 76.0322 143.721 -358.498 -109.438 76.0321 -109.438 -16.2491 GPRESSURE: 1913600 -258.377 123.734 68.0357 104.411 -303.591 -175.662 61.0222 -101.084 -29.8362 PRESSAVG: 1913600 -54.032 47.6032 7.1854 47.6033 13.1663 -7.53127 7.18546 -7.53124 43.2475 GPRESSAVG: 1913600 -54.3535 46.6369 5.6397 47.5444 14.5871 -7.79504 8.33281 -7.3514 41.9521 TIMING: 1913600 CPU: 5693.75, 0.00298994/step Wall: 5693.75, 0.00298994/step, 2.56338 hours remaining, 206.453125 MB of memory in use. ENERGY: 1913600 745.4880 2126.7436 1945.8779 112.4767 -206225.4037 17572.2944 0.0000 0.0000 34195.5931 -149526.9300 298.6386 -183722.5231 -149424.4957 298.0821 -228.2108 -197.2679 557717.4273 0.7940 0.7286 PRESSURE: 1913800 -61.6329 -81.2654 27.9137 -81.2653 -119.834 23.1466 27.9144 23.1459 -231.03 GPRESSURE: 1913800 7.3848 -118.531 41.7932 -32.0666 -73.9935 38.4367 85.9693 22.9491 -237.042 PRESSAVG: 1913800 23.1397 -30.0807 44.2734 -30.0806 -27.8081 -5.28876 44.2734 -5.28872 43.8787 GPRESSAVG: 1913800 23.5624 -30.2497 43.1942 -29.0705 -28.0426 -6.92232 43.0129 -3.80765 43.7584 TIMING: 1913800 CPU: 5694.35, 0.00298533/step Wall: 5694.35, 0.00298533/step, 2.55926 hours remaining, 206.710938 MB of memory in use. ENERGY: 1913800 729.4615 2120.9767 1952.6586 109.3151 -206479.2811 17837.0432 0.0000 0.0000 34019.9623 -149709.8637 297.1048 -183729.8261 -149607.6208 298.4111 -137.4988 -101.2169 558249.2010 13.0701 13.0927 PRESSURE: 1914000 132.632 -26.3012 -69.8517 -26.3006 -94.3569 -30.6746 -69.8522 -30.6752 145.561 GPRESSURE: 1914000 119.195 -74.3023 -147.33 21.3669 -38.0127 -58.0706 -42.5299 2.65453 197.43 PRESSAVG: 1914000 114.866 50.7572 -22.2222 50.7571 -11.1188 27.343 -22.2222 27.343 -81.5647 GPRESSAVG: 1914000 114.802 51.1212 -19.4364 51.9058 -11.1699 27.8889 -21.2884 26.2178 -81.311 TIMING: 1914000 CPU: 5694.94, 0.00296283/step Wall: 5694.94, 0.00296283/step, 2.53981 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: 1914000 757.4724 2081.9370 1942.4510 108.4970 -206752.1573 18098.2381 0.0000 0.0000 34058.4164 -149705.1454 297.4406 -183763.5618 -149617.5104 297.9868 61.2787 92.8706 557842.8540 7.3942 7.4404 PRESSURE: 1914200 -181.233 -41.3209 130.687 -41.3197 -102.324 71.0204 130.688 71.0216 -22.1193 GPRESSURE: 1914200 -136.641 -158.858 175.262 -35.2837 -63.0668 60.1284 94.1374 57.9896 -13.089 PRESSAVG: 1914200 -37.3004 24.3161 -17.5552 24.3161 10.0466 -25.3254 -17.5553 -25.3254 17.763 GPRESSAVG: 1914200 -38.0701 25.2075 -19.7797 21.7175 10.2717 -25.831 -17.3637 -26.3993 17.9835 TIMING: 1914200 CPU: 5695.53, 0.00293858/step Wall: 5695.53, 0.00293858/step, 2.51885 hours remaining, 206.710938 MB of memory in use. ENERGY: 1914200 758.0023 2087.5605 1955.4095 116.6870 -206372.0244 17729.3839 0.0000 0.0000 34004.8571 -149720.1241 296.9729 -183724.9812 -149625.2313 298.1079 -101.8922 -70.9322 557259.3218 -3.1636 -3.2716 PRESSURE: 1914400 -198.589 54.8533 -203.309 54.8537 -251.197 95.7416 -203.309 95.7415 -36.1225 GPRESSURE: 1914400 -161.672 108.405 -304.631 36.4485 -214.92 87.9658 -98.7904 43.7871 -13.8285 PRESSAVG: 1914400 19.9097 -24.0358 -25.7295 -24.0359 -14.1003 20.9267 -25.7295 20.9266 -6.4792 GPRESSAVG: 1914400 18.1747 -25.0127 -23.899 -24.2326 -13.0611 20.9766 -27.6116 22.1042 -5.80256 TIMING: 1914400 CPU: 5696.12, 0.00295363/step Wall: 5696.12, 0.00295363/step, 2.53159 hours remaining, 206.710938 MB of memory in use. ENERGY: 1914400 751.7038 2078.5475 1958.2011 108.8914 -206637.6988 17794.9895 0.0000 0.0000 34163.6619 -149781.7036 298.3598 -183945.3655 -149672.2219 297.9476 -161.9696 -130.1400 558465.7191 -0.2233 -0.2297 PRESSURE: 1914600 -119.951 59.5476 -74.103 59.5477 -258.316 -183.167 -74.1032 -183.167 -325.065 GPRESSURE: 1914600 -92.6974 49.4866 -45.5935 37.226 -214 -174.402 -103.735 -115.903 -306.562 PRESSAVG: 1914600 27.3477 -26.8841 -17.8261 -26.884 22.6605 43.7708 -17.8261 43.7708 -33.6688 GPRESSAVG: 1914600 27.7656 -26.8656 -15.5884 -25.8888 22.5143 44.4809 -19.7548 43.3501 -33.5637 TIMING: 1914600 CPU: 5696.71, 0.00295163/step Wall: 5696.71, 0.00295163/step, 2.52971 hours remaining, 206.710938 MB of memory in use. ENERGY: 1914600 765.4718 2032.8805 1943.9822 122.4708 -206325.5103 17627.0162 0.0000 0.0000 33980.8809 -149852.8080 296.7635 -183833.6888 -149760.4751 297.9266 -234.4439 -204.4199 556366.4615 5.4465 5.5721 PRESSURE: 1914800 13.4844 157.193 -63.5108 157.192 175.478 20.9379 -63.5105 20.9367 31.5433 GPRESSURE: 1914800 63.6373 116.579 -68.7728 126.073 182.005 89.2385 -88.8605 -38.2392 48.9491 PRESSAVG: 1914800 -34.311 20.0186 -109.613 20.0186 47.9296 -2.56302 -109.613 -2.56305 -16.1748 GPRESSAVG: 1914800 -33.3469 20.6252 -113.797 19.9764 47.6906 -2.44378 -104.832 -4.84257 -16.5097 TIMING: 1914800 CPU: 5697.3, 0.00293881/step Wall: 5697.3, 0.00293881/step, 2.51856 hours remaining, 206.710938 MB of memory in use. ENERGY: 1914800 758.0443 2106.2596 1962.7999 110.2639 -206586.4794 17896.1376 0.0000 0.0000 34197.4770 -149555.4971 298.6551 -183752.9740 -149458.7714 298.0123 73.5020 98.1972 555950.8523 -0.8521 -0.7220 PRESSURE: 1915000 -249.515 -28.7306 -154.68 -28.731 -27.8704 36.4459 -154.682 36.4463 -2.11182 GPRESSURE: 1915000 -245.205 -42.6104 -155.673 41.8271 75.2789 88.3681 -110.072 30.0025 -7.78004 PRESSAVG: 1915000 -48.1529 29.1756 -30.5594 29.1756 5.09423 1.46807 -30.5594 1.46813 20.0103 GPRESSAVG: 1915000 -48.22 27.8273 -27.4767 28.6857 6.02312 -0.569239 -32.6952 4.2593 18.6415 TIMING: 1915000 CPU: 5697.89, 0.00296669/step Wall: 5697.89, 0.00296669/step, 2.54229 hours remaining, 206.710938 MB of memory in use. ENERGY: 1915000 738.3746 2095.7818 1962.6208 125.8472 -206259.6120 17693.5054 0.0000 0.0000 34112.4382 -149531.0439 297.9124 -183643.4822 -149433.1653 298.5711 -93.1658 -59.2355 556326.5750 -7.6828 -7.8518 PRESSURE: 1915200 -8.82577 -230.016 -154.303 -230.017 -292.199 155.824 -154.302 155.824 -53.7243 GPRESSURE: 1915200 41.968 -280.084 -223.561 -204.56 -265.007 108.96 -58.966 138.981 -31.4427 PRESSAVG: 1915200 -81.3466 -31.5887 -42.6464 -31.5888 10.122 9.13181 -42.6465 9.13177 9.71923 GPRESSAVG: 1915200 -81.7784 -31.4039 -44.5122 -30.2779 8.84411 9.1761 -41.6126 9.14667 12.0147 TIMING: 1915200 CPU: 5698.49, 0.00296924/step Wall: 5698.49, 0.00296924/step, 2.54431 hours remaining, 206.710938 MB of memory in use. ENERGY: 1915200 771.9720 2065.1193 1919.8685 99.4768 -206404.0902 17801.4506 0.0000 0.0000 34231.4644 -149514.7385 298.9519 -183746.2030 -149413.1585 297.9958 -118.2496 -84.8272 557114.1077 -20.5018 -20.3065 PRESSURE: 1915400 -74.9997 -30.4523 -84.4651 -30.4532 -186.842 -51.1857 -84.4656 -51.1867 -337.926 GPRESSURE: 1915400 -12.0254 -66.56 -112.656 17.6982 -151.475 -164.926 -37.9776 29.8073 -325.528 PRESSAVG: 1915400 -13.8841 -39.4165 4.14704 -39.4166 54.5977 21.397 4.14713 21.3969 -30.4189 GPRESSAVG: 1915400 -13.0887 -39.3489 6.68118 -40.0121 53.1534 21.0362 4.95804 21.4468 -30.1988 TIMING: 1915400 CPU: 5699.08, 0.00295699/step Wall: 5699.08, 0.00295699/step, 2.53365 hours remaining, 206.710938 MB of memory in use. ENERGY: 1915400 747.4901 2061.3188 1917.6526 102.5094 -206070.7161 17560.3366 0.0000 0.0000 34128.9051 -149552.5034 298.0562 -183681.4085 -149449.8430 298.1966 -199.9226 -163.0095 556148.2740 3.4316 3.2886 PRESSURE: 1915600 88.1942 -21.103 -47.908 -21.1026 -207.464 41.1861 -47.9067 41.1872 23.4954 GPRESSURE: 1915600 101.637 -67.5712 4.32039 -20.2274 -184.598 96.3345 -97.9268 -15.7068 84.7629 PRESSAVG: 1915600 55.8678 6.51217 -44.6046 6.51218 12.4853 23.9687 -44.6046 23.9688 -70.1459 GPRESSAVG: 1915600 54.7965 7.43228 -45.5055 7.63768 14.1232 24.7646 -45.3578 23.5176 -70.9238 TIMING: 1915600 CPU: 5699.68, 0.00298265/step Wall: 5699.68, 0.00298265/step, 2.55547 hours remaining, 206.710938 MB of memory in use. ENERGY: 1915600 762.2835 2097.1000 1923.4103 108.8557 -206252.6042 17867.0938 0.0000 0.0000 34103.4109 -149390.4499 297.8336 -183493.8608 -149283.3067 298.4996 -31.9249 0.6008 556932.8948 -0.5976 -0.6680 PRESSURE: 1915800 56.0938 9.86214 75.081 9.86253 -64.3442 -71.713 75.0812 -71.7135 33.1885 GPRESSURE: 1915800 122.133 20.6091 10.5705 -48.3865 -24.1114 -100.83 82.7611 14.9101 25.4779 PRESSAVG: 1915800 -31.1757 -47.0706 43.9892 -47.0706 61.9148 82.1115 43.9892 82.1116 0.196279 GPRESSAVG: 1915800 -31.4516 -46.6103 44.2099 -48.1001 61.1038 81.0921 43.3778 82.6258 1.15283 TIMING: 1915800 CPU: 5700.27, 0.00295683/step Wall: 5700.27, 0.00295683/step, 2.53318 hours remaining, 206.710938 MB of memory in use. ENERGY: 1915800 713.5876 2116.8644 1929.4951 117.3911 -205987.5712 17604.4172 0.0000 0.0000 34001.6144 -149504.2015 296.9446 -183505.8158 -149403.6868 298.4963 8.3127 41.1665 556493.8989 10.3118 10.2684 PRESSURE: 1916000 168.235 -5.37036 -31.9768 -5.37003 -30.9907 50.4728 -31.9775 50.4728 138.712 GPRESSURE: 1916000 180.652 17.2823 -18.2771 -34.3894 54.4007 89.2658 28.9212 26.466 142.748 PRESSAVG: 1916000 66.7751 -8.54784 11.1763 -8.54781 13.9115 58.9496 11.1762 58.9497 -59.3999 GPRESSAVG: 1916000 67.2375 -10.0675 11.6865 -9.38125 16.2968 59.6582 10.7956 58.0332 -61.6203 TIMING: 1916000 CPU: 5700.86, 0.0029597/step Wall: 5700.86, 0.0029597/step, 2.53548 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: 1916000 800.3337 2112.3565 1926.8449 104.9467 -206713.2919 17905.1472 0.0000 0.0000 34294.4793 -149569.1836 299.5022 -183863.6629 -149474.4417 298.4181 91.9854 125.9338 556068.4457 7.0956 7.3047 PRESSURE: 1916200 -57.0967 62.5982 65.3293 62.5975 -67.8758 -13.8969 65.3292 -13.8976 -263.357 GPRESSURE: 1916200 -63.0164 136.413 148.547 58.3717 -26.0734 70.7839 43.239 -62.2106 -205.594 PRESSAVG: 1916200 60.8269 -9.24866 3.28406 -9.24864 -10.5778 26.4309 3.28407 26.4309 -55.7567 GPRESSAVG: 1916200 61.0071 -8.0472 3.53217 -9.61121 -12.0119 26.7145 4.51612 27.7886 -54.4182 TIMING: 1916200 CPU: 5701.46, 0.00299275/step Wall: 5701.46, 0.00299275/step, 2.56363 hours remaining, 206.710938 MB of memory in use. ENERGY: 1916200 755.5555 2165.6441 1960.1384 114.4249 -206514.8363 17747.0033 0.0000 0.0000 34094.3539 -149677.7161 297.7545 -183772.0700 -149587.9703 298.1165 -129.4433 -98.2280 557625.9120 -1.8359 -1.8077 LDB: ============= START OF LOAD BALANCING ============== 5704.89 LDB: ============== END OF LOAD BALANCING =============== 5704.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5704.89 LDB: ============= START OF LOAD BALANCING ============== 5705.19 LDB: Largest compute 4821 load 0.024062 is 20.4% of average load 0.118021 LDB: Average compute 0.001719 is 1.5% of average load 0.118021 LDB: TIME 5705.19 LOAD: AVG 0.118021 MAX 0.20154 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.359 MB LDB: TIME 5705.19 LOAD: AVG 0.118021 MAX 0.20154 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: TIME 5705.19 LOAD: AVG 0.118021 MAX 0.20154 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5705.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5705.19 PRESSURE: 1916400 -206.027 -94.843 -64.839 -94.8425 32.1272 -90.4174 -64.8398 -90.4162 138.88 GPRESSURE: 1916400 -145.95 -122.62 -24.8406 -113.593 12.3147 -125.569 -62.8784 -1.30016 181.913 PRESSAVG: 1916400 -9.14072 -19.675 -45.2963 -19.6749 55.7524 -4.64818 -45.2962 -4.64818 -18.083 GPRESSAVG: 1916400 -8.93213 -22.0853 -46.9258 -18.9161 57.1546 -4.32388 -45.5427 -5.0383 -20.0624 TIMING: 1916400 CPU: 5702.06, 0.00303551/step Wall: 5702.06, 0.00303551/step, 2.60009 hours remaining, 205.871094 MB of memory in use. ENERGY: 1916400 742.2997 2110.7275 1945.7323 120.7805 -206423.6436 17875.8511 0.0000 0.0000 34015.4668 -149612.7856 297.0655 -183628.2524 -149525.4048 298.0384 -11.6733 16.0925 557835.8701 9.5096 9.3867 PRESSURE: 1916600 97.1883 215.663 20.248 215.661 193.198 6.78038 20.2476 6.77998 130.141 GPRESSURE: 1916600 155.436 135.473 57.509 245.186 226.861 -8.19075 -14.8607 -76.3612 136.897 PRESSAVG: 1916600 -36.911 -7.23973 -30.7036 -7.23977 31.9122 6.83393 -30.7036 6.83392 5.02116 GPRESSAVG: 1916600 -37.3933 -8.36012 -28.6664 -4.48967 31.4734 5.72084 -32.4091 5.956 6.2722 TIMING: 1916600 CPU: 5702.66, 0.00298945/step Wall: 5702.66, 0.00298945/step, 2.56046 hours remaining, 205.871094 MB of memory in use. ENERGY: 1916600 701.8635 2085.8069 1939.8747 117.6319 -206666.4484 17971.5083 0.0000 0.0000 34191.7767 -149657.9864 298.6053 -183849.7630 -149554.9324 298.2208 140.1756 173.0646 556351.8418 0.0075 0.1175 PRESSURE: 1916800 -44.1848 44.3467 27.9628 44.3465 17.6778 -16.756 27.9632 -16.7547 -134.916 GPRESSURE: 1916800 -29.1124 74.7417 60.4614 8.4143 -2.0834 -46.2852 86.3595 60.1325 -30.4976 PRESSAVG: 1916800 47.7362 11.4718 49.606 11.4719 -39.3156 -43.8861 49.6059 -43.886 -38.2885 GPRESSAVG: 1916800 48.3267 15.6391 47.1398 6.74301 -40.0773 -44.8865 51.784 -44.0206 -37.5404 TIMING: 1916800 CPU: 5703.26, 0.00299905/step Wall: 5703.26, 0.00299905/step, 2.56852 hours remaining, 205.871094 MB of memory in use. ENERGY: 1916800 719.1069 2091.0782 1960.8252 117.5242 -206535.8169 17750.7971 0.0000 0.0000 34231.1964 -149665.2888 298.9496 -183896.4853 -149560.4041 298.1579 -53.8077 -20.5645 557355.2695 -9.9560 -9.7636 PRESSURE: 1917000 -12.1273 45.8074 180.821 45.8073 -77.3484 32.5165 180.82 32.5169 -151.466 GPRESSURE: 1917000 49.6472 87.752 277.306 -8.99127 -62.3591 -8.05703 215.148 19.6196 -126.946 PRESSAVG: 1917000 -12.9448 -33.474 45.3299 -33.474 10.5904 39.3796 45.3299 39.3795 6.95911 GPRESSAVG: 1917000 -13.2018 -33.4811 46.0669 -35.0731 11.3577 40.6686 45.2738 40.7173 6.25561 TIMING: 1917000 CPU: 5703.87, 0.00303284/step Wall: 5703.87, 0.00303284/step, 2.59729 hours remaining, 205.871094 MB of memory in use. ENERGY: 1917000 778.3904 2055.5579 1932.5087 125.0269 -206311.6977 17801.7114 0.0000 0.0000 33955.9316 -149662.5708 296.5456 -183618.5024 -149572.7686 298.2159 -80.3140 -46.5525 555544.8511 1.5349 1.4705 PRESSURE: 1917200 -82.3771 7.94637 -101.363 7.94732 -184.668 -12.8104 -101.362 -12.8096 100.517 GPRESSURE: 1917200 -11.7105 73.4617 -49.9414 -28.0946 -148.762 9.19647 -100.087 -34.614 95.5095 PRESSAVG: 1917200 -2.80565 14.2298 -8.26841 14.2297 -6.64248 -37.9387 -8.2684 -37.9388 33.0919 GPRESSAVG: 1917200 -1.97414 12.4666 -7.46622 17.13 -7.38993 -37.6143 -7.90844 -39.4488 33.1328 TIMING: 1917200 CPU: 5704.47, 0.00299533/step Wall: 5704.47, 0.00299533/step, 2.565 hours remaining, 205.871094 MB of memory in use. ENERGY: 1917200 745.5878 2050.6251 1953.5906 113.5337 -206401.0376 17722.9660 0.0000 0.0000 33919.2683 -149895.4661 296.2254 -183814.7344 -149799.2778 297.0588 -55.5095 -21.6544 556401.2943 7.8813 7.9229 PRESSURE: 1917400 101.305 -13.3506 27.9945 -13.35 124.624 -149.565 27.9963 -149.565 -51.1392 GPRESSURE: 1917400 156.831 18.5469 125.238 -81.0123 176.711 -74.9474 56.8855 -198.672 -60.7312 PRESSAVG: 1917400 6.7619 -25.2331 -14.8617 -25.2331 32.6602 8.05592 -14.8618 8.0559 -12.2156 GPRESSAVG: 1917400 7.23205 -22.4822 -15.2026 -26.5488 32.8822 9.2874 -17.3943 6.94425 -13.2445 TIMING: 1917400 CPU: 5705.07, 0.00300092/step Wall: 5705.07, 0.00300092/step, 2.56962 hours remaining, 205.871094 MB of memory in use. ENERGY: 1917400 695.8710 2101.1596 1944.9668 112.6056 -206696.4587 17820.0844 0.0000 0.0000 34161.1975 -149860.5738 298.3382 -184021.7712 -149756.3389 297.7004 58.2634 90.9371 555579.6036 9.0689 8.9566 PRESSURE: 1917600 -55.3991 -241.196 -38.0623 -241.195 -195.466 -21.528 -38.0642 -21.5272 -151.843 GPRESSURE: 1917600 -1.76955 -214.762 53.3561 -174.952 -146.303 -25.8023 -23.7164 4.99863 -141.089 PRESSAVG: 1917600 -21.8312 25.2328 -59.3666 25.2328 -49.8483 -6.57977 -59.3665 -6.57975 88.0092 GPRESSAVG: 1917600 -21.6385 24.6663 -60.2631 26.1822 -50.1614 -7.11574 -58.3748 -5.60128 87.3397 TIMING: 1917600 CPU: 5705.66, 0.00297455/step Wall: 5705.66, 0.00297455/step, 2.54688 hours remaining, 205.871094 MB of memory in use. ENERGY: 1917600 764.6537 2057.3405 1900.4644 103.6286 -206145.1467 17532.2307 0.0000 0.0000 34069.6479 -149717.1808 297.5387 -183786.8288 -149609.5594 297.0035 -134.2361 -96.3873 555849.9367 5.4432 5.1799 PRESSURE: 1917800 -360.666 -20.3658 76.2245 -20.3668 53.4948 -135.504 76.225 -135.504 221.238 GPRESSURE: 1917800 -281.823 -36.8586 111.786 -52.582 59.5539 -76.3899 -40.833 -43.7738 233.705 PRESSAVG: 1917800 6.8712 -22.627 -14.7495 -22.627 1.91734 -25.0484 -14.7494 -25.0484 58.2611 GPRESSAVG: 1917800 6.32048 -22.8143 -12.944 -22.2673 2.40184 -25.3032 -14.8672 -24.9859 58.3441 TIMING: 1917800 CPU: 5706.26, 0.00295908/step Wall: 5706.26, 0.00295908/step, 2.53347 hours remaining, 205.871094 MB of memory in use. ENERGY: 1917800 786.3399 2046.0270 1962.4303 104.5863 -206899.1796 18049.9366 0.0000 0.0000 34252.4839 -149697.3756 299.1355 -183949.8595 -149600.0909 298.2664 -28.6444 3.8122 556701.3575 22.3499 22.3555 PRESSURE: 1918000 -49.1916 -109.635 56.947 -109.633 -84.6646 90.0948 56.947 90.0957 -125.026 GPRESSURE: 1918000 -11.2499 -166.81 51.9875 -104.791 -110.778 111.189 87.7102 107.05 -22.8192 PRESSAVG: 1918000 -62.67 -5.54814 -29.6075 -5.5482 -5.2656 -13.2834 -29.6074 -13.2833 -10.7511 GPRESSAVG: 1918000 -63.0518 -8.80118 -30.4696 -4.17653 -5.83177 -11.98 -29.3913 -15.9599 -9.97728 TIMING: 1918000 CPU: 5706.85, 0.00296046/step Wall: 5706.85, 0.00296046/step, 2.53448 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: 1918000 748.6014 2048.5081 1960.0745 111.7104 -206429.3062 17783.7396 0.0000 0.0000 34000.9979 -149775.6744 296.9392 -183776.6723 -149687.8135 297.2274 -86.2939 -48.2823 557675.0317 -26.2289 -26.2869 PRESSURE: 1918200 -139.433 -100.011 -10.7592 -100.011 -209.61 -154.484 -10.7576 -154.484 58.7895 GPRESSURE: 1918200 -124.394 -121.03 11.1464 -64.8816 -152.263 -108.155 -77.5167 -131.003 79.45 PRESSAVG: 1918200 -9.45738 -80.1335 -6.16033 -80.1335 -10.788 -4.03183 -6.16028 -4.03172 11.2047 GPRESSAVG: 1918200 -9.14488 -80.3986 -6.14362 -79.7522 -10.154 -4.30842 -5.19947 -0.124545 9.93352 TIMING: 1918200 CPU: 5707.44, 0.00297287/step Wall: 5707.44, 0.00297287/step, 2.54495 hours remaining, 205.871094 MB of memory in use. ENERGY: 1918200 726.7322 2074.1450 1949.6960 107.4457 -205870.2323 17563.3891 0.0000 0.0000 33962.1961 -149486.6284 296.6003 -183448.8245 -149392.2317 297.9733 -96.7512 -65.7356 557424.2033 -3.0136 -3.1218 PRESSURE: 1918400 103.072 4.18291 -5.05461 4.18362 107.726 72.0557 -5.05394 72.0558 -62.8773 GPRESSURE: 1918400 127.245 38.7939 -4.38205 49.8667 157.017 53.146 -51.5085 85.3112 -59.4252 PRESSAVG: 1918400 59.0199 -49.0911 -14.317 -49.091 -31.6546 -65.9207 -14.317 -65.9208 -58.7955 GPRESSAVG: 1918400 59.3898 -46.8954 -14.3152 -49.6346 -32.3362 -65.2497 -15.314 -67.3415 -58.7236 TIMING: 1918400 CPU: 5708.03, 0.00293092/step Wall: 5708.03, 0.00293092/step, 2.50887 hours remaining, 205.871094 MB of memory in use. ENERGY: 1918400 780.2848 2058.1576 1962.8799 104.7988 -206564.6717 17863.3886 0.0000 0.0000 34161.9729 -149633.1891 298.3450 -183795.1621 -149542.2369 298.7969 49.3069 74.9458 556672.0109 -10.4767 -10.5567 PRESSURE: 1918600 -122.555 -124.761 57.5664 -124.762 4.15028 -178.923 57.567 -178.924 -47.5755 GPRESSURE: 1918600 -56.2258 -112.576 -61.2946 -111.988 5.46483 -198.468 92.3315 -171.504 -26.7475 PRESSAVG: 1918600 70.4778 0.212001 -14.9641 0.211963 -93.3675 -52.6071 -14.9641 -52.607 6.25713 GPRESSAVG: 1918600 70.0532 -1.52057 -17.0888 1.09592 -94.1042 -53.8764 -14.8287 -54.1155 6.66243 TIMING: 1918600 CPU: 5708.62, 0.00293887/step Wall: 5708.62, 0.00293887/step, 2.51551 hours remaining, 205.871094 MB of memory in use. ENERGY: 1918600 760.2444 2005.2503 1933.9375 111.8577 -206065.1236 17779.2741 0.0000 0.0000 33828.0482 -149646.5113 295.4288 -183474.5596 -149552.1478 297.2592 -55.3268 -25.8361 557800.1189 -5.5442 -5.7962 PRESSURE: 1918800 -19.4416 -66.7164 -26.4662 -66.7175 -55.9878 -200.372 -26.4663 -200.37 -95.6387 GPRESSURE: 1918800 -36.2804 -27.8532 -13.0344 -71.7995 7.5998 -201.471 -150.395 -137.151 -46.3989 PRESSAVG: 1918800 -5.49572 10.3325 -43.1407 10.3325 38.9323 -22.1114 -43.1407 -22.1115 -31.0236 GPRESSAVG: 1918800 -6.66452 12.6239 -42.1133 10.5134 40.9549 -23.2429 -43.9953 -21.0034 -31.6065 TIMING: 1918800 CPU: 5709.21, 0.00297378/step Wall: 5709.21, 0.00297378/step, 2.54522 hours remaining, 205.871094 MB of memory in use. ENERGY: 1918800 776.3326 2070.5743 1944.5791 109.6536 -206509.8719 17886.6256 0.0000 0.0000 34145.6615 -149576.4452 298.2026 -183722.1067 -149478.2282 297.5740 -57.0227 -25.0265 555806.2700 0.8043 0.8946 PRESSURE: 1919000 69.7388 112.488 -50.1165 112.486 -105.548 111.627 -50.1164 111.627 182.518 GPRESSURE: 1919000 81.5477 122.641 -100.282 157.346 -110.728 163.297 -56.43 141.948 275.667 PRESSAVG: 1919000 -24.8987 -0.849001 10.7083 -0.849008 -41.3572 51.6416 10.7083 51.6416 65.223 GPRESSAVG: 1919000 -22.8496 -2.8112 11.8475 -0.388495 -42.5521 52.6282 12.0185 52.7267 64.8065 TIMING: 1919000 CPU: 5709.8, 0.00295878/step Wall: 5709.8, 0.00295878/step, 2.53222 hours remaining, 205.871094 MB of memory in use. ENERGY: 1919000 736.3132 2108.1152 1925.2849 117.4145 -206524.9165 17945.8660 0.0000 0.0000 34046.2440 -149645.6788 297.3343 -183691.9228 -149547.7946 298.4402 48.9029 82.1620 556588.9303 -0.3443 -0.1984 PRESSURE: 1919200 -228.484 72.4137 227.777 72.4135 -9.00994 -38.5606 227.775 -38.5628 33.3553 GPRESSURE: 1919200 -181.946 54.8445 213.851 100.771 23.668 -141.847 290.528 13.853 63.5553 PRESSAVG: 1919200 -1.04591 7.38623 4.5522 7.38615 -9.52577 -21.2122 4.55219 -21.2122 40.098 GPRESSAVG: 1919200 -1.52162 7.38061 4.52892 7.48755 -10.0576 -21.1554 4.2852 -22.3352 41.4378 TIMING: 1919200 CPU: 5710.39, 0.00294812/step Wall: 5710.39, 0.00294812/step, 2.52294 hours remaining, 205.871094 MB of memory in use. ENERGY: 1919200 738.9516 2051.3417 1922.1738 101.2917 -206179.8868 17654.8434 0.0000 0.0000 34217.6656 -149493.6191 298.8314 -183711.2847 -149400.8608 298.1100 -68.0463 -31.5741 556820.8157 9.8421 9.9529 PRESSURE: 1919400 82.536 60.5521 33.093 60.5529 44.431 -143.021 33.0927 -143.023 -101.477 GPRESSURE: 1919400 86.8797 126.583 78.5461 -73.2152 92.792 -70.0037 56.9458 -159.453 -61.2171 PRESSAVG: 1919400 -11.4886 40.6672 8.33713 40.6672 -7.73462 26.6215 8.33716 26.6215 1.30069 GPRESSAVG: 1919400 -11.3978 42.3427 9.29408 39.7247 -7.38149 26.26 9.13125 25.8205 0.565112 TIMING: 1919400 CPU: 5710.99, 0.00298051/step Wall: 5710.99, 0.00298051/step, 2.55049 hours remaining, 205.871094 MB of memory in use. ENERGY: 1919400 745.1068 2085.2838 1955.0837 118.2269 -206104.9231 17837.3918 0.0000 0.0000 33911.5284 -149452.3016 296.1578 -183363.8301 -149361.0734 297.9222 8.4967 39.4849 557637.3627 -5.9742 -6.0714 PRESSURE: 1919600 -176.177 -68.7124 -170.777 -68.7109 324.305 70.74 -170.777 70.7396 -77.2542 GPRESSURE: 1919600 -156.496 62.2752 -139.508 -36.0258 333.695 61.9338 -146.333 67.1143 1.59875 PRESSAVG: 1919600 48.099 20.5034 -5.51289 20.5034 47.9256 25.5551 -5.51283 25.555 -72.2633 GPRESSAVG: 1919600 46.9374 17.7858 -7.89392 22.0044 48.7829 26.3866 -6.68711 25.9694 -71.842 TIMING: 1919600 CPU: 5711.58, 0.0029763/step Wall: 5711.58, 0.0029763/step, 2.54672 hours remaining, 205.871094 MB of memory in use. ENERGY: 1919600 721.4135 2113.5104 1916.1458 119.5010 -206368.4442 17980.8897 0.0000 0.0000 34240.4523 -149276.5315 299.0304 -183516.9838 -149177.0061 298.8798 23.6246 59.5992 558376.3685 7.9204 7.9594 PRESSURE: 1919800 -193.419 169.856 -2.6205 169.855 -114.986 52.2537 -2.62104 52.2549 -131.908 GPRESSURE: 1919800 -150.705 232.379 -46.4373 187.226 -92.7837 59.2543 18.9532 -18.1738 -100.3 PRESSAVG: 1919800 -16.6708 5.20264 -23.1874 5.20255 38.3634 29.3408 -23.1875 29.3409 -43.0114 GPRESSAVG: 1919800 -15.8053 6.85152 -22.3076 4.30172 38.6394 30.3331 -22.3199 27.2707 -43.9281 TIMING: 1919800 CPU: 5712.18, 0.00298356/step Wall: 5712.18, 0.00298356/step, 2.55277 hours remaining, 205.871094 MB of memory in use. ENERGY: 1919800 724.1722 2070.0943 1936.5577 111.3411 -205799.1340 17518.0311 0.0000 0.0000 34085.3394 -149353.5981 297.6757 -183438.9375 -149258.6680 298.6372 -146.7711 -114.5962 557690.8523 -7.1063 -7.0313 PRESSURE: 1920000 -22.8136 72.8272 29.353 72.8268 -226.092 71.6858 29.3528 71.684 73.9141 GPRESSURE: 1920000 71.9447 28.121 -64.1202 61.8599 -197.205 58.1979 21.0518 84.0969 61.928 PRESSAVG: 1920000 4.94989 -2.68836 15.3928 -2.68839 -12.6286 16.7444 15.3929 16.7444 -34.9718 GPRESSAVG: 1920000 5.81117 -3.91077 14.5739 -2.6502 -13.9797 15.9958 16.4445 17.5941 -34.3029 TIMING: 1920000 CPU: 5712.78, 0.00301139/step Wall: 5712.78, 0.00301139/step, 2.57641 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: 1920000 735.1676 2077.2717 1932.2191 127.6749 -206511.2329 17852.3643 0.0000 0.0000 34319.1159 -149467.4194 299.7174 -183786.5353 -149377.7524 298.8741 -58.3304 -21.1107 557673.4017 -14.2169 -14.1571 PRESSURE: 1920200 48.7515 47.4743 -20.1333 47.4743 -89.0485 74.3658 -20.1335 74.3665 -58.8461 GPRESSURE: 1920200 -41.7417 96.268 78.6705 31.5263 -45.3827 9.8095 -44.2114 99.3756 80.8183 PRESSAVG: 1920200 -21.2897 60.0977 -44.445 60.0976 -23.0502 45.1978 -44.4449 45.1978 19.6164 GPRESSAVG: 1920200 -22.5698 59.457 -43.3745 60.6073 -21.4764 43.6826 -45.9583 49.1149 19.8943 TIMING: 1920200 CPU: 5713.38, 0.00299516/step Wall: 5713.38, 0.00299516/step, 2.56236 hours remaining, 205.871094 MB of memory in use. ENERGY: 1920200 767.0829 2098.1726 1939.2643 96.2626 -206108.4879 17628.0558 0.0000 0.0000 34296.9903 -149282.6594 299.5241 -183579.6498 -149190.6105 298.5649 -33.0477 -2.1020 556730.5376 -8.2411 -8.0506 LDB: ============= START OF LOAD BALANCING ============== 5716.81 LDB: ============== END OF LOAD BALANCING =============== 5716.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5716.81 LDB: ============= START OF LOAD BALANCING ============== 5717.12 LDB: Largest compute 4821 load 0.025399 is 21.5% of average load 0.118027 LDB: Average compute 0.001721 is 1.5% of average load 0.118027 LDB: TIME 5717.12 LOAD: AVG 0.118027 MAX 0.202534 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 5717.12 LOAD: AVG 0.118027 MAX 0.202534 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.355 MB LDB: TIME 5717.12 LOAD: AVG 0.118027 MAX 0.202534 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.355 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5717.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5717.12 PRESSURE: 1920400 -7.81008 60.4611 170.128 60.4619 199.892 -159.892 170.129 -159.893 281.511 GPRESSURE: 1920400 8.26753 111.602 122.934 32.4904 249.339 -142.674 210.113 -230.41 323.811 PRESSAVG: 1920400 30.2199 39.1474 34.8538 39.1475 15.3604 18.1511 34.8539 18.1512 -16.2484 GPRESSAVG: 1920400 31.0895 39.7531 34.1602 37.3429 16.0903 18.0662 34.2486 15.0845 -17.3667 TIMING: 1920400 CPU: 5713.99, 0.00306793/step Wall: 5713.99, 0.00306793/step, 2.62445 hours remaining, 205.230469 MB of memory in use. ENERGY: 1920400 737.3412 2079.1936 1962.2244 105.6870 -206322.5473 18000.4785 0.0000 0.0000 34052.6590 -149384.9637 297.3903 -183437.6226 -149283.3472 298.3479 157.8642 193.8059 556720.2515 9.7773 9.9377 PRESSURE: 1920600 -41.9275 -81.6126 53.1256 -81.6132 133.365 55.2372 53.1251 55.237 -39.0849 GPRESSURE: 1920600 16.1944 -99.0237 129.969 -50.0459 146.87 22.2451 17.7181 100.161 -7.93552 PRESSAVG: 1920600 -75.7746 -19.9402 80.4456 -19.9402 0.259173 -7.68176 80.4458 -7.68173 50.4722 GPRESSAVG: 1920600 -77.4424 -19.6011 81.9159 -18.6292 0.140546 -8.19667 79.7986 -4.00528 52.1578 TIMING: 1920600 CPU: 5714.6, 0.00300278/step Wall: 5714.6, 0.00300278/step, 2.56855 hours remaining, 205.230469 MB of memory in use. ENERGY: 1920600 739.1099 2144.0533 1961.2340 117.0288 -206559.1212 17915.1046 0.0000 0.0000 34413.5284 -149269.0621 300.5419 -183682.5906 -149165.1644 299.5150 17.4507 51.7095 555763.9823 -8.3477 -8.3813 PRESSURE: 1920800 47.0941 66.5577 -18.2826 66.557 7.39671 238.71 -18.2832 238.711 -416.844 GPRESSURE: 1920800 103.162 103.015 -101.605 31.7945 -3.98792 206.728 12.4734 198.794 -367.554 PRESSAVG: 1920800 -26.6812 15.7697 45.4496 15.7697 -12.6425 -15.9983 45.4495 -15.9983 48.5959 GPRESSAVG: 1920800 -26.3397 16.8072 45.9513 16.1253 -11.3069 -15.5329 45.4705 -16.5955 47.426 TIMING: 1920800 CPU: 5715.19, 0.00297088/step Wall: 5715.19, 0.00297088/step, 2.54109 hours remaining, 205.230469 MB of memory in use. ENERGY: 1920800 745.9669 2092.6508 1941.1745 104.1753 -206422.9846 17704.6509 0.0000 0.0000 34294.5256 -149539.8406 299.5026 -183834.3663 -149444.2786 299.9240 -120.7845 -89.4597 556888.7201 3.0907 3.2598 PRESSURE: 1921000 102.422 85.6592 -32.064 85.6604 143.25 -51.5708 -32.0647 -51.5722 -11.6069 GPRESSURE: 1921000 162.506 77.8238 58.6361 97.866 144.723 -11.7823 -73.7995 -54.515 30.4695 PRESSAVG: 1921000 8.30058 -0.350863 37.1438 -0.350872 -15.9131 13.5013 37.1438 13.5012 18.8831 GPRESSAVG: 1921000 9.73047 -0.924771 35.2087 -1.48412 -17.6351 14.4783 38.4137 9.91533 18.8552 TIMING: 1921000 CPU: 5715.78, 0.00297248/step Wall: 5715.78, 0.00297248/step, 2.54229 hours remaining, 205.230469 MB of memory in use. ENERGY: 1921000 709.7169 2142.4276 1917.6772 107.3019 -206757.5964 18094.0500 0.0000 0.0000 34232.7169 -149553.7059 298.9628 -183786.4228 -149459.7893 298.9808 78.0217 112.5661 556922.1935 3.7568 3.6502 PRESSURE: 1921200 20.9274 146.164 144.083 146.162 -41.7699 35.14 144.083 35.14 -137.93 GPRESSURE: 1921200 18.5821 87.8422 175.159 229.187 7.39058 52.0049 85.6852 11.3232 -93.9713 PRESSAVG: 1921200 34.964 45.9946 -8.25721 45.9947 57.8406 7.91431 -8.25714 7.91428 -19.5779 GPRESSAVG: 1921200 34.1619 43.4491 -7.86775 48.9679 58.0155 6.83872 -8.20227 10.6858 -18.9544 TIMING: 1921200 CPU: 5716.38, 0.00297804/step Wall: 5716.38, 0.00297804/step, 2.54689 hours remaining, 205.230469 MB of memory in use. ENERGY: 1921200 761.5145 2137.7908 1957.9867 114.1183 -206228.9091 17725.1032 0.0000 0.0000 34000.8739 -149531.5217 296.9381 -183532.3956 -149435.3752 299.0887 -52.9242 -22.6662 557900.7599 24.4089 24.4077 PRESSURE: 1921400 -256.033 -116.867 64.4221 -116.868 -248.426 -104.554 64.4214 -104.552 -82.7244 GPRESSURE: 1921400 -215.564 -133.677 109.854 -122.433 -164.747 -41.0427 67.547 -151.077 -117.145 PRESSAVG: 1921400 -8.44435 -22.3557 16.7023 -22.3557 40.8726 -35.2736 16.7023 -35.2735 -28.7765 GPRESSAVG: 1921400 -8.46645 -19.8814 16.3109 -25.7735 40.4852 -33.231 16.365 -35.9621 -28.8991 TIMING: 1921400 CPU: 5716.98, 0.00297936/step Wall: 5716.98, 0.00297936/step, 2.54785 hours remaining, 205.230469 MB of memory in use. ENERGY: 1921400 752.6068 2155.3967 1979.8173 111.7421 -206289.1321 17562.9088 0.0000 0.0000 34263.2375 -149463.4229 299.2294 -183726.6604 -149372.1770 299.1850 -195.7276 -165.8187 556445.6384 1.2173 1.0399 PRESSURE: 1921600 -43.4189 16.0132 51.5228 16.0136 195.624 -197.216 51.5216 -197.216 15.9663 GPRESSURE: 1921600 9.32683 -31.612 18.1392 -10.2626 205.719 -221.572 97.6581 -185.667 45.2224 PRESSAVG: 1921600 29.6394 -12.6641 20.0668 -12.6641 -6.08699 -15.7366 20.0668 -15.7365 -36.5332 GPRESSAVG: 1921600 28.5881 -15.2335 21.0599 -10.7514 -5.55117 -15.5109 18.8164 -16.5066 -36.3685 TIMING: 1921600 CPU: 5717.57, 0.00298093/step Wall: 5717.57, 0.00298093/step, 2.54903 hours remaining, 205.230469 MB of memory in use. ENERGY: 1921600 745.6924 2137.9791 1969.4982 120.0081 -206621.0109 17959.8553 0.0000 0.0000 34217.5860 -149470.3919 298.8307 -183687.9779 -149370.3410 299.0561 56.0570 86.7560 556886.4968 -4.3269 -4.4439 PRESSURE: 1921800 304.84 153.115 -16.6041 153.114 58.4915 51.857 -16.6039 51.8566 82.1603 GPRESSURE: 1921800 346.662 97.8868 -78.8152 201.223 120.966 109.174 82.5537 74.3667 74.3607 PRESSAVG: 1921800 -8.61083 -59.832 0.508967 -59.832 56.878 27.6045 0.508884 27.6044 -47.7527 GPRESSAVG: 1921800 -8.27118 -58.0244 1.24479 -61.2334 57.3922 26.0724 1.39294 28.8953 -48.2409 TIMING: 1921800 CPU: 5718.17, 0.00296728/step Wall: 5718.17, 0.00296728/step, 2.53719 hours remaining, 205.230469 MB of memory in use. ENERGY: 1921800 727.2403 2096.9260 1927.5679 114.5718 -206794.7561 18134.7310 0.0000 0.0000 34376.3371 -149417.3820 300.2171 -183793.7191 -149316.7965 298.7897 148.4972 180.6629 556910.3111 0.1715 0.2933 PRESSURE: 1922000 220.702 41.796 -37.763 41.7968 386.605 1.61537 -37.7624 1.6147 141.982 GPRESSURE: 1922000 256.458 -62.3686 -79.7044 110.588 386.769 9.07084 -43.23 -14.128 192.244 PRESSAVG: 1922000 -4.77839 0.396394 -9.34159 0.396301 -37.5081 17.2666 -9.34152 17.2665 7.48421 GPRESSAVG: 1922000 -5.3436 0.697527 -9.29573 -0.716421 -37.3519 19.5389 -11.0194 15.8887 7.55507 TIMING: 1922000 CPU: 5718.76, 0.00295472/step Wall: 5718.76, 0.00295472/step, 2.52628 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: 1922000 730.1986 2145.8728 1907.3503 107.0427 -206839.8079 18246.2973 0.0000 0.0000 34193.3391 -149509.7070 298.6189 -183703.0462 -149412.0966 298.9955 249.7629 278.4906 556781.1939 -11.6007 -11.7135 PRESSURE: 1922200 64.2781 -54.6554 -32.8928 -54.656 47.2622 -152.328 -32.8924 -152.328 -60.5226 GPRESSURE: 1922200 78.437 -56.581 58.4856 -80.7097 78.1242 -167.578 -43.6379 -92.6079 -12.0276 PRESSAVG: 1922200 64.2008 11.2767 -87.6011 11.2768 -41.2677 28.5766 -87.6011 28.5767 -18.7828 GPRESSAVG: 1922200 64.7405 11.1853 -86.9138 12.2244 -41.9113 25.9485 -86.837 29.166 -18.9764 TIMING: 1922200 CPU: 5719.35, 0.00295179/step Wall: 5719.35, 0.00295179/step, 2.52362 hours remaining, 205.230469 MB of memory in use. ENERGY: 1922200 724.4017 2148.0793 1890.8876 121.8023 -206344.3282 17783.5095 0.0000 0.0000 34206.0488 -149469.5992 298.7299 -183675.6480 -149373.9214 298.3459 17.0059 48.1778 557784.6744 1.3835 1.2843 PRESSURE: 1922400 -95.3225 2.24779 37.3526 2.24747 -101.7 44.0007 37.3521 44.0017 -234.558 GPRESSURE: 1922400 -14.1938 -181.673 -5.20297 -19.6713 -127.899 -18.2463 60.2079 69.3292 -186.276 PRESSAVG: 1922400 36.5778 -78.6455 -17.4221 -78.6455 -12.5268 -6.4187 -17.4222 -6.4187 -1.4028 GPRESSAVG: 1922400 36.5301 -80.4654 -18.71 -77.9374 -11.9183 -2.95486 -15.9414 -8.18674 -1.82405 TIMING: 1922400 CPU: 5719.94, 0.00298745/step Wall: 5719.94, 0.00298745/step, 2.55394 hours remaining, 205.230469 MB of memory in use. ENERGY: 1922400 771.8603 2083.4795 1914.5898 96.9080 -206108.2308 17656.2454 0.0000 0.0000 34236.2699 -149348.8779 298.9939 -183585.1478 -149253.8712 299.6280 -143.8598 -109.4561 558357.3391 7.5494 7.5959 PRESSURE: 1922600 -144.245 -26.7043 -39.3846 -26.7044 134.748 -60.0826 -39.3863 -60.0834 -198.295 GPRESSURE: 1922600 -111.537 -71.6702 -122.919 43.6011 151.399 18.6143 83.6225 -191.068 -162.702 PRESSAVG: 1922600 74.9635 -81.5413 -4.88678 -81.5414 -10.4812 -10.019 -4.8867 -10.0189 -38.7141 GPRESSAVG: 1922600 75.5201 -80.5479 -6.48736 -80.0675 -11.845 -12.7466 -4.42935 -9.28819 -37.6849 TIMING: 1922600 CPU: 5720.54, 0.00297532/step Wall: 5720.54, 0.00297532/step, 2.54341 hours remaining, 205.230469 MB of memory in use. ENERGY: 1922600 774.0507 2103.2096 1987.1440 110.7049 -206301.9545 17752.4733 0.0000 0.0000 34079.5497 -149494.8224 297.6252 -183574.3720 -149401.2278 298.9728 -69.2641 -40.9466 558592.8625 8.5894 8.6634 PRESSURE: 1922800 46.4506 -140.915 -51.1976 -140.914 -258.963 -59.7188 -51.1957 -59.7178 -136.014 GPRESSURE: 1922800 44.2777 -160.558 11.4886 -94.9731 -225.205 -103.217 26.9555 16.3813 -71.9468 PRESSAVG: 1922800 -37.2317 -4.19782 -42.3638 -4.19784 5.4204 -30.5966 -42.3637 -30.5965 53.2577 GPRESSAVG: 1922800 -37.3022 -5.19744 -41.9574 -5.30432 6.19024 -29.7003 -42.346 -29.4244 52.5155 TIMING: 1922800 CPU: 5721.14, 0.00298819/step Wall: 5721.14, 0.00298819/step, 2.55424 hours remaining, 205.230469 MB of memory in use. ENERGY: 1922800 736.2050 2090.2260 1967.2374 120.1378 -206062.2905 17688.8324 0.0000 0.0000 34204.3212 -149255.3307 298.7148 -183459.6519 -149159.7303 299.1612 -116.1753 -84.2915 557507.1657 7.1488 7.1345 PRESSURE: 1923000 -182.358 -13.2366 221.989 -13.2356 -37.587 47.7122 221.988 47.7136 -35.2913 GPRESSURE: 1923000 -175.191 -29.0114 149.141 141.209 -26.2367 78.5498 223.731 77.5458 45.9968 PRESSAVG: 1923000 -26.0674 -42.7595 67.2196 -42.7595 -34.6028 -53.3546 67.2195 -53.3546 36.7474 GPRESSAVG: 1923000 -24.88 -42.6974 67.1616 -43.2418 -35.6193 -52.5848 67.1909 -55.4245 36.9312 TIMING: 1923000 CPU: 5721.73, 0.00297623/step Wall: 5721.73, 0.00297623/step, 2.54385 hours remaining, 205.230469 MB of memory in use. ENERGY: 1923000 769.9597 2077.2161 1933.7462 121.5616 -206095.8722 17694.2908 0.0000 0.0000 34312.4403 -149186.6574 299.6591 -183499.0977 -149092.2803 299.6312 -85.0787 -51.8101 557966.2294 -7.9743 -7.8560 PRESSURE: 1923200 128.193 -107.494 -64.3368 -107.493 121.645 -1.48571 -64.3369 -1.48414 -138.11 GPRESSURE: 1923200 191.506 -142.319 -26.217 -105.744 143.029 44.4987 23.7141 -15.6794 -105.374 PRESSAVG: 1923200 19.5002 -10.9782 12.1082 -10.9781 -9.82458 -36.3391 12.1082 -36.339 11.2894 GPRESSAVG: 1923200 18.221 -10.4945 12.2431 -12.2595 -9.1975 -37.9547 13.51 -34.1652 12.1136 TIMING: 1923200 CPU: 5722.33, 0.00297807/step Wall: 5722.33, 0.00297807/step, 2.54526 hours remaining, 205.230469 MB of memory in use. ENERGY: 1923200 739.2692 2132.7917 1947.9888 114.1040 -206099.7195 17828.8621 0.0000 0.0000 34275.9757 -149060.7281 299.3406 -183336.7038 -148964.6764 299.4266 37.2426 76.3870 557410.0321 6.9883 7.0457 PRESSURE: 1923400 36.1041 -159.264 49.9216 -159.265 319.837 170.073 49.9227 170.071 -53.0636 GPRESSURE: 1923400 108.724 -95.486 30.254 -202.671 352.292 124.713 76.607 215.056 -59.5317 PRESSAVG: 1923400 -7.79511 -14.9664 59.6759 -14.9664 61.3534 3.96928 59.676 3.96928 -42.2406 GPRESSAVG: 1923400 -7.21512 -13.5595 58.8013 -14.0107 62.2435 5.59848 56.5935 0.155606 -43.0772 TIMING: 1923400 CPU: 5722.92, 0.00296147/step Wall: 5722.92, 0.00296147/step, 2.53091 hours remaining, 205.230469 MB of memory in use. ENERGY: 1923400 747.3323 2078.3214 1926.9374 110.8860 -206261.5197 17896.6282 0.0000 0.0000 34409.6409 -149091.7736 300.5080 -183501.4144 -148997.3879 299.5907 100.9592 133.8281 556886.5265 3.7726 3.9838 PRESSURE: 1923600 -32.7879 -109.451 156.367 -109.451 145.658 -82.5533 156.367 -82.5538 244.202 GPRESSURE: 1923600 28.7961 -57.7914 132.946 -114.675 168.263 -47.8541 184.456 -79.2035 262.993 PRESSAVG: 1923600 -72.0387 -43.6116 -49.9138 -43.6116 20.0199 3.27711 -49.9138 3.27715 63.2076 GPRESSAVG: 1923600 -71.047 -43.5619 -48.9594 -43.5773 19.1683 2.34308 -48.2084 6.79384 63.4289 TIMING: 1923600 CPU: 5723.52, 0.00298308/step Wall: 5723.52, 0.00298308/step, 2.54921 hours remaining, 205.230469 MB of memory in use. ENERGY: 1923600 684.6173 2164.9440 1947.9384 106.1121 -206242.1508 17913.5193 0.0000 0.0000 34288.7169 -149136.3029 299.4519 -183425.0198 -149044.8604 299.4629 119.0241 153.3507 557027.0811 3.7296 3.8501 PRESSURE: 1923800 122.596 82.0403 -114.958 82.0414 59.3062 -114.174 -114.958 -114.175 -85.5014 GPRESSURE: 1923800 151.021 5.55487 -132.688 24.3153 50.3896 -117.248 -131.96 -57.8709 -18.5311 PRESSAVG: 1923800 -42.5719 2.67245 -10.6975 2.6724 72.6351 -28.7474 -10.6976 -28.7474 -68.1334 GPRESSAVG: 1923800 -43.3184 0.0925226 -9.78363 3.81522 72.7868 -26.916 -13.6797 -30.5224 -67.6223 TIMING: 1923800 CPU: 5724.12, 0.00301999/step Wall: 5724.12, 0.00301999/step, 2.58059 hours remaining, 205.230469 MB of memory in use. ENERGY: 1923800 703.5760 2122.3263 1936.5049 118.9266 -205888.7253 17606.6256 0.0000 0.0000 34206.9257 -149193.8402 298.7376 -183400.7659 -149097.7194 299.5609 32.1336 60.9598 557305.4284 -12.6901 -12.7179 PRESSURE: 1924000 -123.588 70.8604 -97.1677 70.8609 -40.4229 -72.892 -97.1672 -72.8945 257.318 GPRESSURE: 1924000 -91.1279 72.5682 -62.0381 82.7598 -2.23813 -31.6202 -109.94 -89.5023 291.279 PRESSAVG: 1924000 -33.0029 16.2655 -38.4302 16.2655 26.5851 -3.23521 -38.4302 -3.23531 54.9548 GPRESSAVG: 1924000 -31.7275 16.6626 -36.7238 15.8418 24.4908 -3.94215 -38.4439 -0.0899816 56.3966 TIMING: 1924000 CPU: 5724.72, 0.00301058/step Wall: 5724.72, 0.00301058/step, 2.57237 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: 1924000 740.1450 2162.8788 1950.9589 121.0505 -206381.2947 18057.2671 0.0000 0.0000 34212.0645 -149136.9300 298.7825 -183348.9945 -149045.1359 299.5062 31.1024 65.9709 558057.5987 16.1790 16.3867 PRESSURE: 1924200 186.825 -85.2869 138.288 -85.288 -368.494 -133.574 138.287 -133.573 -102.869 GPRESSURE: 1924200 234.918 -114.72 103.136 -69.0255 -329.942 -63.7264 109.618 -148.894 -103.304 PRESSAVG: 1924200 -9.24812 41.2526 47.6832 41.2526 -33.375 -17.961 47.6832 -17.9609 53.1721 GPRESSAVG: 1924200 -9.5297 42.2697 46.0435 40.1513 -31.4402 -16.2019 47.0858 -21.3304 51.5374 TIMING: 1924200 CPU: 5725.32, 0.00298811/step Wall: 5725.32, 0.00298811/step, 2.55301 hours remaining, 205.230469 MB of memory in use. ENERGY: 1924200 751.1330 2058.5305 1958.1769 113.0942 -206205.1345 17766.9835 0.0000 0.0000 34261.8197 -149295.3967 299.2170 -183557.2164 -149198.6027 298.9040 -94.8460 -66.1091 558090.0111 3.5163 3.5225 LDB: ============= START OF LOAD BALANCING ============== 5728.75 LDB: ============== END OF LOAD BALANCING =============== 5728.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5728.75 LDB: ============= START OF LOAD BALANCING ============== 5729.05 LDB: Largest compute 4821 load 0.024718 is 20.9% of average load 0.117991 LDB: Average compute 0.001723 is 1.5% of average load 0.117991 LDB: TIME 5729.05 LOAD: AVG 0.117991 MAX 0.200348 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.16 MB LDB: TIME 5729.05 LOAD: AVG 0.117991 MAX 0.200347 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.16 MB LDB: TIME 5729.05 LOAD: AVG 0.117991 MAX 0.200347 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.16 MB LDB: ============== END OF LOAD BALANCING =============== 5729.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5729.06 PRESSURE: 1924400 70.3735 -22.7851 -64.0352 -22.7848 -24.2906 236.427 -64.0346 236.426 274.803 GPRESSURE: 1924400 100.466 -18.2875 2.30681 -64.7354 44.9288 194.677 -28.8326 262.114 288.659 PRESSAVG: 1924400 15.4644 15.9664 38.9847 15.9665 33.6864 -30.2127 38.9847 -30.2126 -31.7553 GPRESSAVG: 1924400 15.1518 15.7409 37.1918 18.6858 33.5009 -31.7583 40.2209 -30.7934 -31.2705 TIMING: 1924400 CPU: 5725.93, 0.00303509/step Wall: 5725.93, 0.00303509/step, 2.59298 hours remaining, 205.539062 MB of memory in use. ENERGY: 1924400 744.8723 2108.5146 1938.0075 118.7951 -206622.1739 18113.0331 0.0000 0.0000 34318.2753 -149280.6761 299.7100 -183598.9514 -149182.7068 299.1106 106.9620 144.6847 557082.0511 5.7985 5.7940 PRESSURE: 1924600 38.269 -111.599 92.7088 -111.599 -207.297 147.288 92.7086 147.288 -275.56 GPRESSURE: 1924600 59.4735 -35.9674 80.3797 -131.768 -169.157 48.8483 43.3458 216.374 -240.684 PRESSAVG: 1924600 38.2089 -32.8606 -25.1958 -32.8605 20.1785 -8.40222 -25.1958 -8.40215 -46.3539 GPRESSAVG: 1924600 37.8179 -34.2068 -24.9282 -33.2129 20.6159 -8.8926 -26.9582 -6.16223 -46.2414 TIMING: 1924600 CPU: 5726.52, 0.00296099/step Wall: 5726.52, 0.00296099/step, 2.52951 hours remaining, 205.738281 MB of memory in use. ENERGY: 1924600 761.1253 2124.8503 1948.6106 108.3387 -206214.8834 17663.4807 0.0000 0.0000 34190.6495 -149417.8282 298.5954 -183608.4777 -149314.9346 299.0495 -148.1960 -116.7894 559714.2585 4.0112 4.0641 PRESSURE: 1924800 -48.35 -68.9325 -87.5348 -68.9321 135.842 23.5915 -87.5345 23.5902 -103.098 GPRESSURE: 1924800 -11.3197 -67.299 -63.4056 -131.304 150.081 46.391 -60.3023 45.83 -48.8377 PRESSAVG: 1924800 7.80657 -55.9053 -8.82256 -55.9054 58.5662 37.7121 -8.82252 37.7122 -56.9907 GPRESSAVG: 1924800 9.50819 -55.3575 -7.20121 -55.2849 58.6844 37.8901 -8.95165 36.5868 -58.6242 TIMING: 1924800 CPU: 5727.11, 0.00297651/step Wall: 5727.11, 0.00297651/step, 2.5426 hours remaining, 205.738281 MB of memory in use. ENERGY: 1924800 759.1479 2037.6936 1937.3071 115.1543 -206303.1904 17927.5043 0.0000 0.0000 34058.6721 -149467.7112 297.4429 -183526.3832 -149376.5413 298.6973 -5.2018 29.9746 556775.5140 3.1274 3.1894 PRESSURE: 1925000 -60.8549 -56.7284 127.723 -56.7296 -147.667 -116.762 127.723 -116.762 -103.339 GPRESSURE: 1925000 -36.2187 -28.7642 151.835 -28.1027 -122.297 -158.494 124.816 -136.661 -58.2863 PRESSAVG: 1925000 12.5691 -26.5212 -41.2152 -26.5212 -36.0272 27.6103 -41.2152 27.6101 -10.497 GPRESSAVG: 1925000 11.6685 -23.1543 -42.1309 -29.2527 -36.0915 25.8267 -41.9451 31.1176 -9.77441 TIMING: 1925000 CPU: 5727.71, 0.00298052/step Wall: 5727.71, 0.00298052/step, 2.54586 hours remaining, 205.738281 MB of memory in use. ENERGY: 1925000 712.6550 2064.2625 1952.6581 105.3167 -206157.2492 17778.7937 0.0000 0.0000 34111.8202 -149431.7428 297.9070 -183543.5631 -149343.4818 298.9810 -103.9537 -72.2675 557672.7941 -11.3183 -11.3992 PRESSURE: 1925200 -57.0767 -65.2598 -22.7561 -65.2594 -19.727 -92.6724 -22.7564 -92.6713 45.5649 GPRESSURE: 1925200 -100.145 -145.238 24.4669 -69.9414 50.4218 -91.0453 -28.8473 -50.3464 118.277 PRESSAVG: 1925200 -7.20908 7.92178 42.3762 7.92171 7.39664 -15.55 42.3762 -15.5501 42.0976 GPRESSAVG: 1925200 -6.78692 5.19667 42.5202 9.44482 6.54699 -13.6875 45.4745 -17.4222 42.6109 TIMING: 1925200 CPU: 5728.31, 0.00299349/step Wall: 5728.31, 0.00299349/step, 2.55677 hours remaining, 205.738281 MB of memory in use. ENERGY: 1925200 764.2378 2067.7890 1943.3496 114.3007 -206585.2201 18002.3145 0.0000 0.0000 34170.4869 -149522.7417 298.4194 -183693.2285 -149432.1430 298.6047 -10.4129 22.8512 557904.0869 14.0951 14.1237 PRESSURE: 1925400 -13.7214 113.381 27.6702 113.381 -20.5861 -52.8731 27.6707 -52.874 78.3892 GPRESSURE: 1925400 42.3699 128.147 101.005 104.346 1.02991 -50.659 7.00803 -99.4562 93.1969 PRESSAVG: 1925400 -38.3565 -15.7605 -13.9254 -15.7605 -27.4012 -23.3447 -13.9254 -23.3447 41.9398 GPRESSAVG: 1925400 -39.9908 -16.1153 -15.4194 -13.9425 -25.8259 -23.6604 -12.8295 -26.658 42.5967 TIMING: 1925400 CPU: 5728.91, 0.00297774/step Wall: 5728.91, 0.00297774/step, 2.54315 hours remaining, 205.738281 MB of memory in use. ENERGY: 1925400 769.7615 2028.4043 1948.8967 106.3676 -206385.9622 17919.2750 0.0000 0.0000 34135.8099 -149477.4471 298.1165 -183613.2570 -149379.2100 298.3615 14.6939 45.5322 557582.1826 -7.9393 -7.7400 PRESSURE: 1925600 -155.301 33.7041 120.213 33.7027 -84.4804 -135.77 120.213 -135.771 -112.235 GPRESSURE: 1925600 -122.699 58.9164 134.593 32.3086 -58.4013 -151.472 72.2625 -94.8908 -64.4029 PRESSAVG: 1925600 -0.644236 -16.1277 61.718 -16.1279 -15.0785 -0.391014 61.7181 -0.390997 50.6955 GPRESSAVG: 1925600 0.951562 -15.2932 63.9131 -16.9285 -15.5064 -1.86294 59.3266 1.45585 50.5025 TIMING: 1925600 CPU: 5729.5, 0.00297351/step Wall: 5729.5, 0.00297351/step, 2.53938 hours remaining, 205.738281 MB of memory in use. ENERGY: 1925600 718.8342 2084.3076 1931.8070 117.2589 -206483.0949 17887.3146 0.0000 0.0000 34143.5461 -149600.0264 298.1841 -183743.5725 -149504.1752 298.3763 -117.3389 -81.8343 559160.3482 11.6576 11.9826 PRESSURE: 1925800 138.573 57.3798 71.1517 57.3802 140.421 146.107 71.151 146.108 70.0837 GPRESSURE: 1925800 136.572 67.7969 41.0977 63.0377 146.726 180.799 169.928 138.048 152.332 PRESSAVG: 1925800 9.31841 23.9041 36.6124 23.9041 -34.2377 -22.7542 36.6124 -22.7542 -22.9003 GPRESSAVG: 1925800 9.69231 23.4579 36.4973 22.6522 -34.2099 -19.8859 37.3281 -24.2283 -22.7662 TIMING: 1925800 CPU: 5730.1, 0.00299058/step Wall: 5730.1, 0.00299058/step, 2.55379 hours remaining, 205.738281 MB of memory in use. ENERGY: 1925800 729.3078 2083.8132 1954.1528 101.6414 -206561.3481 17950.4868 0.0000 0.0000 34073.2722 -149668.6740 297.5704 -183741.9462 -149575.4629 298.8193 116.3594 145.2101 557186.4556 -15.9399 -15.7612 PRESSURE: 1926000 7.4149 -67.7833 84.799 -67.7837 21.4637 88.1535 84.7983 88.1555 -241.374 GPRESSURE: 1926000 16.2122 -55.3036 61.144 -119.49 6.20268 113.943 12.0064 24.2767 -132.99 PRESSAVG: 1926000 65.5628 -21.3921 45.3767 -21.392 -4.07059 47.349 45.3766 47.3491 -46.5429 GPRESSAVG: 1926000 65.1964 -19.1215 45.4565 -22.1577 -3.82482 44.4267 45.5029 48.7298 -46.5243 TIMING: 1926000 CPU: 5730.7, 0.00301805/step Wall: 5730.7, 0.00301805/step, 2.57708 hours remaining, 205.738281 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: 1926000 736.5117 2056.8489 1971.3840 111.0602 -206484.8346 17833.4641 0.0000 0.0000 34067.8860 -149707.6798 297.5233 -183775.5658 -149606.9138 297.4406 -70.8317 -36.8582 558670.3034 4.9831 4.9491 PRESSURE: 1926200 -206.36 140.475 -305.089 140.475 -39.0551 92.0644 -305.089 92.0648 321.716 GPRESSURE: 1926200 -150.56 138.632 -262.307 85.9047 15.8764 119.013 -285.755 168.889 297.37 PRESSAVG: 1926200 68.3031 -35.6066 19.2096 -35.6064 -20.0231 -4.62452 19.2096 -4.62448 25.6832 GPRESSAVG: 1926200 67.9617 -37.6815 18.1729 -34.2926 -20.2022 -3.89019 17.9171 -5.23808 25.7577 TIMING: 1926200 CPU: 5731.3, 0.00301122/step Wall: 5731.3, 0.00301122/step, 2.57108 hours remaining, 205.738281 MB of memory in use. ENERGY: 1926200 740.3142 2040.8993 1962.6072 118.7982 -206500.4501 17790.0774 0.0000 0.0000 34233.2950 -149614.4588 298.9679 -183847.7538 -149520.9879 298.0327 25.4337 54.2289 557543.7485 24.6544 24.5057 PRESSURE: 1926400 -213.306 64.4022 -159.367 64.4025 -38.2054 -103.829 -159.367 -103.828 94.0949 GPRESSURE: 1926400 -121.228 76.3993 -146.926 -17.0597 -32.6698 -5.18721 -130.269 -143.716 102.368 PRESSAVG: 1926400 9.84871 -14.6188 38.0639 -14.6187 -7.22601 -33.542 38.064 -33.542 28.0014 GPRESSAVG: 1926400 9.45101 -12.9419 38.4741 -15.3897 -6.50387 -34.2605 39.9321 -31.6566 28.6747 TIMING: 1926400 CPU: 5731.9, 0.0030034/step Wall: 5731.9, 0.0030034/step, 2.56424 hours remaining, 205.738281 MB of memory in use. ENERGY: 1926400 702.7540 2110.9633 1943.4450 116.5038 -206758.7813 17798.9570 0.0000 0.0000 34350.6366 -149735.5216 299.9927 -184086.1582 -149638.9184 298.4276 -52.4721 -17.1764 556484.5948 10.2080 10.5406 PRESSURE: 1926600 173.642 -25.338 -81.5557 -25.3375 -108.143 -30.3825 -81.5553 -30.3824 62.4839 GPRESSURE: 1926600 119.28 -55.353 -96.5797 4.61941 -49.2911 32.3223 -92.4537 -32.5102 144.657 PRESSAVG: 1926600 19.1719 -5.71942 9.32332 -5.71936 -6.62095 -30.3423 9.32343 -30.3423 -44.3795 GPRESSAVG: 1926600 18.7687 -8.1335 8.92508 -3.03831 -6.3858 -29.9153 9.28385 -30.8155 -44.1021 TIMING: 1926600 CPU: 5732.5, 0.00300199/step Wall: 5732.5, 0.00300199/step, 2.56286 hours remaining, 205.738281 MB of memory in use. ENERGY: 1926600 773.0434 2131.6045 1963.9056 103.1906 -206709.1294 17856.5799 0.0000 0.0000 34212.9560 -149667.8494 298.7903 -183880.8054 -149576.4290 298.8090 42.6608 71.5489 557392.9540 -10.6095 -10.5731 PRESSURE: 1926800 228.527 -13.8063 65.6376 -13.806 315.416 -163.177 65.6372 -163.177 163.752 GPRESSURE: 1926800 314.145 -1.43287 78.7895 -48.7976 319.532 -109.617 112.96 -171.264 174.558 PRESSAVG: 1926800 10.1809 -52.7942 19.028 -52.7943 13.2028 -7.83621 19.028 -7.83623 -22.1378 GPRESSAVG: 1926800 11.898 -50.468 17.9165 -55.6549 11.843 -5.64976 19.4326 -8.6957 -22.1436 TIMING: 1926800 CPU: 5733.11, 0.00300138/step Wall: 5733.11, 0.00300138/step, 2.56218 hours remaining, 205.738281 MB of memory in use. ENERGY: 1926800 739.9827 2093.6286 1937.6722 114.7709 -207053.4338 18381.8578 0.0000 0.0000 33974.3848 -149811.1368 296.7068 -183785.5216 -149709.2745 297.9090 235.8983 269.4115 556720.3438 0.4153 0.5325 PRESSURE: 1927000 -64.4129 -23.8195 27.859 -23.8194 -49.0132 58.0029 27.859 58.0036 88.5523 GPRESSURE: 1927000 -35.8546 -63.2366 -30.3401 -145.357 -22.5659 110.259 88.4104 61.9733 127.222 PRESSAVG: 1927000 24.7873 38.5063 31.5379 38.5063 8.60246 -57.7783 31.538 -57.7782 -21.1835 GPRESSAVG: 1927000 24.2872 38.0241 33.6563 38.19 8.76351 -60.4197 30.6987 -57.2683 -20.918 TIMING: 1927000 CPU: 5733.7, 0.00297352/step Wall: 5733.7, 0.00297352/step, 2.53823 hours remaining, 205.738281 MB of memory in use. ENERGY: 1927000 774.0341 2081.9910 1933.7667 126.7237 -207061.4206 18038.4579 0.0000 0.0000 34307.4800 -149798.9673 299.6158 -184106.4473 -149702.1899 297.7081 -8.2913 22.9339 556775.4901 4.0688 4.0442 PRESSURE: 1927200 -170.426 3.87013 -85.423 3.87006 -130.066 -190.562 -85.4237 -190.563 -38.3433 GPRESSURE: 1927200 -99.9777 52.0523 -176.117 2.17602 -64.301 -265.216 -102.368 -139.826 -76.3984 PRESSAVG: 1927200 24.4542 -14.8463 -27.215 -14.8462 9.33285 -36.5555 -27.2149 -36.5555 -10.996 GPRESSAVG: 1927200 24.0682 -17.7366 -26.6121 -12.9133 11.4761 -36.6788 -28.6901 -36.7744 -12.9089 TIMING: 1927200 CPU: 5734.29, 0.00297401/step Wall: 5734.29, 0.00297401/step, 2.53848 hours remaining, 205.738281 MB of memory in use. ENERGY: 1927200 747.5803 2091.3490 1922.2722 110.2382 -206368.5469 17540.0145 0.0000 0.0000 34222.6775 -149734.4152 298.8752 -183957.0928 -149633.1528 298.1096 -112.9451 -80.2257 555353.6446 7.5970 7.5451 PRESSURE: 1927400 148.832 -126.046 -71.0702 -126.045 -164.403 -22.4898 -71.0708 -22.4903 141.816 GPRESSURE: 1927400 186.26 -139.161 -94.6401 -99.0411 -109.889 -23.0053 -119.403 -20.0384 159.87 PRESSAVG: 1927400 -15.2216 -57.8135 -21.3638 -57.8135 20.7535 -45.8186 -21.3638 -45.8186 -27.888 GPRESSAVG: 1927400 -14.7914 -56.3248 -23.1558 -57.2603 19.0795 -44.1967 -19.694 -45.7321 -26.7712 TIMING: 1927400 CPU: 5734.89, 0.00296702/step Wall: 5734.89, 0.00296702/step, 2.53235 hours remaining, 205.738281 MB of memory in use. ENERGY: 1927400 742.8609 2103.8565 1937.1049 118.4041 -206807.1244 17896.1282 0.0000 0.0000 34055.6405 -149953.1293 297.4164 -184008.7698 -149857.0954 297.8308 42.0817 78.7471 555790.9629 -7.4521 -7.4944 PRESSURE: 1927600 215.844 -72.2421 -30.274 -72.2419 31.8853 66.4668 -30.275 66.4687 149.194 GPRESSURE: 1927600 179.031 -95.2264 -21.0506 -7.74836 103.78 44.8642 -38.4305 25.7373 213.985 PRESSAVG: 1927600 -6.51907 -1.04656 -28.8863 -1.04664 12.0508 3.54483 -28.8863 3.54489 49.2891 GPRESSAVG: 1927600 -7.29722 -0.287681 -28.4751 -2.60996 12.7741 2.4837 -28.5511 2.12545 49.4273 TIMING: 1927600 CPU: 5735.49, 0.00299575/step Wall: 5735.49, 0.00299575/step, 2.55671 hours remaining, 205.738281 MB of memory in use. ENERGY: 1927600 773.4813 2105.1386 1927.9215 113.1683 -206940.0339 17967.0275 0.0000 0.0000 34060.0596 -149993.2370 297.4550 -184053.2967 -149893.8574 297.6315 132.3078 165.5986 554045.3336 18.2736 18.3014 PRESSURE: 1927800 115.543 -91.655 42.9523 -91.6545 5.35004 -110.54 42.9518 -110.541 61.9745 GPRESSURE: 1927800 173.303 -65.0973 17.4371 -69.5199 40.3827 -136.49 41.7041 -107.547 79.805 PRESSAVG: 1927800 69.3131 -13.6914 42.3119 -13.6914 -84.3349 18.3378 42.3118 18.3376 13.3178 GPRESSAVG: 1927800 69.7256 -14.6131 42.0117 -13.2236 -83.4209 18.2525 41.2565 18.7341 11.8001 TIMING: 1927800 CPU: 5736.08, 0.00298784/step Wall: 5736.08, 0.00298784/step, 2.54979 hours remaining, 205.738281 MB of memory in use. ENERGY: 1927800 694.8085 2055.4161 1927.3572 117.4484 -206413.4589 17823.7060 0.0000 0.0000 33999.7473 -149794.9755 296.9282 -183794.7228 -149701.6617 297.1432 60.9557 97.8304 555745.0768 -0.5680 -0.6318 PRESSURE: 1928000 -48.5519 40.8224 66.6743 40.8226 -243.461 67.3119 66.6737 67.3121 -150.379 GPRESSURE: 1928000 68.4225 7.87182 36.4964 27.2307 -194.546 53.4026 -60.2771 184.999 -214.438 PRESSAVG: 1928000 61.2949 10.7258 19.9686 10.7259 -22.6705 -41.0015 19.9686 -41.0015 -29.3748 GPRESSAVG: 1928000 60.4366 10.5702 20.5094 12.985 -22.001 -41.4395 19.914 -39.642 -29.3395 TIMING: 1928000 CPU: 5736.68, 0.00295821/step Wall: 5736.68, 0.00295821/step, 2.52434 hours remaining, 205.738281 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: 1928000 775.7110 2142.7722 1940.6452 112.7994 -206334.7159 17660.6374 0.0000 0.0000 34115.5857 -149586.5650 297.9399 -183702.1507 -149495.7781 297.8589 -147.4639 -113.5204 555220.2015 3.0832 3.0320 PRESSURE: 1928200 -33.2677 -16.1184 -44.02 -16.1183 -391.511 -11.2534 -44.0184 -11.2524 -52.6842 GPRESSURE: 1928200 -20.8471 42.467 20.1849 -106.438 -355.055 -51.7295 2.36865 -2.46773 -3.13064 PRESSAVG: 1928200 107.841 15.0264 -16.6213 15.0265 8.76433 -8.40875 -16.6214 -8.40879 -103.637 GPRESSAVG: 1928200 108.898 14.7349 -17.8531 13.0688 6.5629 -7.51073 -15.712 -9.04726 -102.521 TIMING: 1928200 CPU: 5737.27, 0.00298446/step Wall: 5737.27, 0.00298446/step, 2.54658 hours remaining, 205.738281 MB of memory in use. ENERGY: 1928200 747.9089 2108.1139 1951.9266 118.5317 -206344.7371 17761.9983 0.0000 0.0000 34127.4227 -149528.8350 298.0433 -183656.2577 -149440.6624 298.8976 -159.1544 -126.3443 558036.8335 4.3228 4.3132 LDB: ============= START OF LOAD BALANCING ============== 5740.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5740.7 LDB: =============== DONE WITH MIGRATION ================ 5740.7 LDB: ============= START OF LOAD BALANCING ============== 5741 LDB: Largest compute 4821 load 0.024570 is 20.8% of average load 0.118024 LDB: Average compute 0.001720 is 1.5% of average load 0.118024 LDB: TIME 5741.01 LOAD: AVG 0.118024 MAX 0.199628 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.852 MB LDB: TIME 5741.01 LOAD: AVG 0.118024 MAX 0.199628 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.055 MB LDB: TIME 5741.01 LOAD: AVG 0.118024 MAX 0.199628 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.055 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5741.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5741.01 PRESSURE: 1928400 -110.73 24.2202 -68.1802 24.221 -128.543 -98.817 -68.1801 -98.8165 -39.9834 GPRESSURE: 1928400 -88.0111 -25.8603 -61.8466 10.3237 -100.77 1.19701 -168.999 -81.161 19.8367 PRESSAVG: 1928400 85.6624 37.5387 -36.431 37.5385 -63.271 0.539843 -36.431 0.539985 8.49259 GPRESSAVG: 1928400 86.1133 41.5535 -36.0739 34.9667 -62.3327 -1.15018 -35.6593 -0.465052 7.20242 TIMING: 1928400 CPU: 5737.88, 0.00305376/step Wall: 5737.88, 0.00305376/step, 2.60553 hours remaining, 205.414062 MB of memory in use. ENERGY: 1928400 730.9129 2081.2113 1975.7426 110.8913 -205796.9583 17478.6897 0.0000 0.0000 33962.4539 -149457.0564 296.6026 -183419.5104 -149363.2704 298.0221 -93.0856 -56.3147 557999.9979 10.2947 10.3276 PRESSURE: 1928600 245.951 -149.457 77.6388 -149.457 122.184 -80.208 77.6385 -80.2083 -147.996 GPRESSURE: 1928600 305.129 -142.392 138.354 -90.0022 144.364 -57.0003 -10.3994 -22.4324 -123.285 PRESSAVG: 1928600 79.6825 -3.55909 -18.0315 -3.55909 -110.452 38.3328 -18.0315 38.3328 23.1074 GPRESSAVG: 1928600 78.338 -6.08217 -16.0872 -0.886077 -109.56 37.5742 -19.879 39.9169 23.4128 TIMING: 1928600 CPU: 5738.48, 0.00299715/step Wall: 5738.48, 0.00299715/step, 2.55707 hours remaining, 205.414062 MB of memory in use. ENERGY: 1928600 768.2854 2078.7773 1941.9965 118.6883 -206380.5914 17878.8250 0.0000 0.0000 34199.6193 -149394.3995 298.6738 -183594.0188 -149302.5139 298.3590 73.3798 108.7359 556564.5322 -2.5542 -2.6030 PRESSURE: 1928800 348.152 -6.78766 -41.6946 -6.78669 33.3117 -69.3261 -41.6946 -69.3262 35.1899 GPRESSURE: 1928800 353.399 -45.0063 -21.6054 11.2134 76.6307 -78.8807 28.3665 -74.3961 78.6877 PRESSAVG: 1928800 0.126869 -24.0376 20.8796 -24.0377 -8.61883 -42.6113 20.8797 -42.6113 -2.15579 GPRESSAVG: 1928800 0.296899 -23.6637 20.5995 -24.2011 -9.72789 -41.0211 22.7981 -42.7405 -1.44874 TIMING: 1928800 CPU: 5739.08, 0.00297379/step Wall: 5739.08, 0.00297379/step, 2.53697 hours remaining, 205.414062 MB of memory in use. ENERGY: 1928800 719.7056 2126.2018 1955.6794 110.0363 -206534.1009 17980.9475 0.0000 0.0000 34445.0864 -149196.4439 300.8175 -183641.5303 -149097.2024 298.9106 138.8845 169.5724 557646.8223 -3.5492 -3.6266 PRESSURE: 1929000 376.22 129.455 50.6779 129.454 -19.4928 -32.521 50.6786 -32.5216 -144.031 GPRESSURE: 1929000 392.001 83.7207 112.069 154.062 51.3485 -52.5015 52.6963 -22.5357 -129.769 PRESSAVG: 1929000 66.305 -16.9516 20.3838 -16.9517 -8.85499 -82.0706 20.3838 -82.0707 -28.3442 GPRESSAVG: 1929000 65.9423 -16.7788 18.7722 -16.6137 -8.91748 -82.7548 19.1618 -84.5473 -27.6486 TIMING: 1929000 CPU: 5739.67, 0.00297782/step Wall: 5739.67, 0.00297782/step, 2.54024 hours remaining, 205.414062 MB of memory in use. ENERGY: 1929000 746.7682 2119.4736 1947.6430 124.5217 -206548.8505 18105.3801 0.0000 0.0000 34312.8930 -149192.1709 299.6630 -183505.0639 -149095.2400 299.1682 70.8985 104.5270 557773.8283 9.7019 9.7921 PRESSURE: 1929200 57.1571 48.3653 49.3839 48.3655 -77.7929 1.14522 49.383 1.14572 11.4087 GPRESSURE: 1929200 136.894 62.9194 91.4651 25.9122 -18.8263 -57.1612 3.27433 81.5549 -24.1655 PRESSAVG: 1929200 37.7625 -3.66929 -2.81103 -3.66938 -30.6868 25.06 -2.81105 25.06 -0.851368 GPRESSAVG: 1929200 38.5721 -4.12658 -1.19311 -4.08095 -30.4735 24.6168 -3.75175 27.1495 -1.44853 TIMING: 1929200 CPU: 5740.27, 0.00297113/step Wall: 5740.27, 0.00297113/step, 2.53438 hours remaining, 205.414062 MB of memory in use. ENERGY: 1929200 730.6738 2096.0479 1978.7080 115.0552 -206244.8523 17960.8975 0.0000 0.0000 34178.1233 -149185.3467 298.4861 -183363.4700 -149099.8332 300.2903 -3.0757 31.3006 557844.1176 2.0748 2.2167 PRESSURE: 1929400 -75.5963 -81.0966 134.585 -81.0966 -15.78 -61.4697 134.585 -61.4674 -167.266 GPRESSURE: 1929400 -18.0227 -169.251 46.7152 -96.0675 -56.0668 -6.67336 229.244 -71.3605 -86.1131 PRESSAVG: 1929400 37.3039 -65.6556 18.6935 -65.6556 41.1768 -17.4946 18.6934 -17.4946 -54.1166 GPRESSAVG: 1929400 36.6339 -65.0137 16.6292 -66.9992 41.9983 -16.893 20.6093 -20.2942 -54.0217 TIMING: 1929400 CPU: 5740.86, 0.00297972/step Wall: 5740.86, 0.00297972/step, 2.54154 hours remaining, 205.414062 MB of memory in use. ENERGY: 1929400 785.4758 2126.6425 1959.6333 100.2488 -206233.2744 17852.5927 0.0000 0.0000 34293.1725 -149115.5089 299.4908 -183408.6814 -149015.5117 299.6698 -86.2140 -53.4009 558634.0278 8.1213 8.2035 PRESSURE: 1929600 -13.439 162.339 -3.16358 162.341 53.3797 60.3262 -3.16261 60.3264 224.443 GPRESSURE: 1929600 -8.59042 113.607 -4.63686 111.843 99.3214 74.9066 -5.73221 123.2 261.442 PRESSAVG: 1929600 -57.2529 -13.8117 24.4228 -13.8117 -1.45532 -28.7302 24.4228 -28.7302 19.7904 GPRESSAVG: 1929600 -56.618 -15.8221 26.2573 -11.2201 -2.3692 -29.4775 23.9507 -24.6177 19.8608 TIMING: 1929600 CPU: 5741.46, 0.00297591/step Wall: 5741.46, 0.00297591/step, 2.53812 hours remaining, 205.414062 MB of memory in use. ENERGY: 1929600 759.9946 2136.2179 1907.4360 110.2505 -206460.2455 18075.9390 0.0000 0.0000 34395.1986 -149075.2088 300.3818 -183470.4074 -148977.0312 299.5897 88.1278 117.3911 558394.9649 -12.9726 -13.0421 PRESSURE: 1929800 -177.045 59.3707 -179.644 59.3705 -160.542 -81.1798 -179.644 -81.1817 -172.542 GPRESSURE: 1929800 -119.517 60.1292 -137.39 79.8834 -195.322 -71.445 -197.049 -62.2322 -100.179 PRESSAVG: 1929800 7.8293 5.30916 -13.0587 5.3091 -6.36545 52.3374 -13.0587 52.3374 36.502 GPRESSAVG: 1929800 8.38179 6.50778 -11.4508 5.23043 -7.37938 52.2967 -15.5692 50.5713 36.7446 TIMING: 1929800 CPU: 5742.06, 0.00299747/step Wall: 5742.06, 0.00299747/step, 2.55634 hours remaining, 205.414062 MB of memory in use. ENERGY: 1929800 789.0865 2116.9869 1941.5153 118.9313 -206331.8739 17835.7469 0.0000 0.0000 34385.4445 -149144.1624 300.2966 -183529.6069 -149041.0212 299.4446 -170.0431 -138.3391 559521.8231 12.6553 12.5823 PRESSURE: 1930000 -62.94 -12.6542 3.56368 -12.6532 -90.7903 -181.105 3.56433 -181.105 297.873 GPRESSURE: 1930000 18.8159 -56.1755 64.4595 89.0681 -63.0673 -168.027 53.8944 -91.0051 283.556 PRESSAVG: 1930000 23.489 -30.8147 47.8196 -30.8147 -55.6168 15.6409 47.8196 15.6409 25.1183 GPRESSAVG: 1930000 23.8984 -30.2066 46.6362 -31.6043 -55.6576 16.1588 49.44 16.2335 24.8567 TIMING: 1930000 CPU: 5742.66, 0.00300178/step Wall: 5742.66, 0.00300178/step, 2.55985 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: 1930000 726.2270 2038.4804 1938.7539 124.2899 -206652.9914 18024.1510 0.0000 0.0000 34378.0789 -149423.0102 300.2323 -183801.0892 -149330.2077 299.6696 48.0475 79.7680 557909.6293 -2.3365 -2.3008 PRESSURE: 1930200 73.5177 41.0114 49.5391 41.0101 -361.015 -303.058 49.5379 -303.057 -98.552 GPRESSURE: 1930200 110.391 73.018 64.3899 57.3296 -365.481 -367.982 73.699 -327.972 -20.8274 PRESSAVG: 1930200 4.05344 54.9925 -16.1492 54.9926 -37.5242 -22.4261 -16.1491 -22.426 75.2862 GPRESSAVG: 1930200 2.65992 55.6997 -15.0993 54.7258 -37.3341 -23.4599 -17.8317 -22.3139 76.2637 TIMING: 1930200 CPU: 5743.26, 0.00299478/step Wall: 5743.26, 0.00299478/step, 2.55371 hours remaining, 205.414062 MB of memory in use. ENERGY: 1930200 768.0195 2015.0731 1962.0009 116.7083 -206253.1999 17646.5390 0.0000 0.0000 34206.7196 -149538.1396 298.7358 -183744.8592 -149441.2288 298.7027 -128.6833 -91.9725 556194.7022 13.9385 13.8632 PRESSURE: 1930400 -125.858 113.906 172.96 113.906 -24.1334 -4.17088 172.958 -4.17122 122.329 GPRESSURE: 1930400 -151.519 201.218 91.9032 128.149 20.7012 2.23112 187.004 37.8787 201.55 PRESSAVG: 1930400 19.707 27.9886 7.94146 27.9886 -4.50751 -65.9984 7.94148 -65.9983 17.7444 GPRESSAVG: 1930400 19.7625 27.9544 5.70663 28.3072 -4.04005 -65.0707 10.9254 -65.6028 17.0307 TIMING: 1930400 CPU: 5743.85, 0.0029687/step Wall: 5743.85, 0.0029687/step, 2.53131 hours remaining, 205.414062 MB of memory in use. ENERGY: 1930400 723.2229 2103.4583 1934.5566 112.3142 -206166.1682 17610.2985 0.0000 0.0000 34243.8699 -149438.4479 299.0602 -183682.3178 -149331.7651 298.9285 -9.2207 23.5773 556480.8979 10.9813 10.9177 PRESSURE: 1930600 -13.1253 -34.4048 -98.417 -34.4053 -237.84 -91.8384 -98.4174 -91.838 -100.732 GPRESSURE: 1930600 -40.4388 -74.1438 -71.0758 -11.049 -173.859 -81.9438 -144.363 -87.4812 -42.0057 PRESSAVG: 1930600 -16.2653 6.01171 33.0077 6.01172 0.157275 -26.8589 33.0077 -26.8588 -1.36076 GPRESSAVG: 1930600 -15.6731 5.80182 35.4088 3.91528 -1.03081 -26.3788 31.1608 -28.4528 -1.17199 TIMING: 1930600 CPU: 5744.45, 0.00298543/step Wall: 5744.45, 0.00298543/step, 2.54541 hours remaining, 205.414062 MB of memory in use. ENERGY: 1930600 700.8862 2066.0301 1945.8836 102.8849 -206066.6394 17610.8025 0.0000 0.0000 33973.6070 -149666.5450 296.7000 -183640.1520 -149567.7617 298.1136 -117.2324 -85.4344 557127.4926 -5.8229 -5.9586 PRESSURE: 1930800 66.7384 -74.8797 -151.514 -74.8808 32.2955 -59.9462 -151.514 -59.9456 329.986 GPRESSURE: 1930800 116.713 -93.5968 -144.063 -132.041 63.8325 -72.5919 -100.714 -94.7619 353.676 PRESSAVG: 1930800 4.14761 3.61912 -27.3741 3.61904 -35.7149 -20.5133 -27.3741 -20.5131 51.7238 GPRESSAVG: 1930800 3.53321 4.03845 -29.9512 6.02426 -35.574 -21.9587 -25.6094 -20.5114 52.3101 TIMING: 1930800 CPU: 5745.05, 0.0029892/step Wall: 5745.05, 0.0029892/step, 2.54846 hours remaining, 205.414062 MB of memory in use. ENERGY: 1930800 706.0147 2058.7759 1964.7918 106.3911 -206714.9419 18173.5265 0.0000 0.0000 33953.6583 -149751.7836 296.5257 -183705.4419 -149658.3239 297.0378 143.0068 178.0737 557551.4852 6.7188 6.7565 PRESSURE: 1931000 -74.9289 110.299 61.6464 110.299 -179.353 -190.085 61.6467 -190.084 187.054 GPRESSURE: 1931000 -5.59645 94.7918 51.5642 80.196 -202.012 -235.217 47.9017 -122.868 248.127 PRESSAVG: 1931000 -8.29165 -2.17063 12.1099 -2.17069 38.4904 -51.5596 12.11 -51.5597 -12.9092 GPRESSAVG: 1931000 -7.71276 -3.27274 11.4138 -3.92244 38.7342 -51.8212 11.7026 -50.3766 -13.6775 TIMING: 1931000 CPU: 5745.64, 0.00299081/step Wall: 5745.64, 0.00299081/step, 2.54966 hours remaining, 205.414062 MB of memory in use. ENERGY: 1931000 751.9413 2071.1057 1953.9592 95.4962 -206479.1750 17798.6694 0.0000 0.0000 34151.7662 -149656.2370 298.2559 -183808.0032 -149551.5079 297.4143 -22.4091 13.5060 558639.5865 5.7632 5.7813 PRESSURE: 1931200 -33.8501 -138.367 -20.9475 -138.369 -109.746 -61.3343 -20.9493 -61.3334 -93.8784 GPRESSURE: 1931200 52.0996 -165.475 -12.9382 -126.15 -120.614 -31.0349 -36.0917 -64.3259 -67.3961 PRESSAVG: 1931200 31.7437 -5.3345 -21.3161 -5.33451 -2.65458 2.1709 -21.316 2.17077 1.71222 GPRESSAVG: 1931200 31.502 -7.36862 -21.9326 -3.09338 -2.72575 2.69188 -20.7919 1.20014 1.31228 TIMING: 1931200 CPU: 5746.24, 0.00297173/step Wall: 5746.24, 0.00297173/step, 2.53324 hours remaining, 205.414062 MB of memory in use. ENERGY: 1931200 749.4025 2085.9740 1973.7709 112.2750 -206656.2828 17886.1894 0.0000 0.0000 34121.2607 -149727.4102 297.9895 -183848.6710 -149639.8122 297.9778 -79.1582 -45.3035 558513.4979 10.2671 10.0295 PRESSURE: 1931400 -158.422 127.647 14.1236 127.646 9.26393 3.07438 14.1225 3.07351 -42.223 GPRESSURE: 1931400 -99.1985 172.13 -57.8019 75.7513 20.6501 50.2814 5.25229 -11.3887 -24.6873 PRESSAVG: 1931400 12.7676 -9.68316 16.1749 -9.68316 25.0182 6.7438 16.175 6.74381 -11.0704 GPRESSAVG: 1931400 11.8782 -8.68144 17.2147 -10.2749 25.0678 6.18609 17.1943 5.72627 -10.6015 TIMING: 1931400 CPU: 5746.84, 0.0029867/step Wall: 5746.84, 0.0029867/step, 2.54583 hours remaining, 205.414062 MB of memory in use. ENERGY: 1931400 737.0574 2075.7958 1950.5480 116.9635 -206292.8412 17785.3716 0.0000 0.0000 34032.9203 -149594.1848 297.2180 -183627.1051 -149496.0094 298.4738 -63.7938 -34.4119 557915.0663 8.9051 8.7815 PRESSURE: 1931600 -2.82054 -94.306 -99.7734 -94.306 -66.5904 -17.1321 -99.7731 -17.1335 -18.4423 GPRESSURE: 1931600 70.0713 -107.173 -136.418 -46.0569 -108.372 -34.7701 -37.8799 72.7027 51.5747 PRESSAVG: 1931600 -0.680756 -10.0339 14.8074 -10.0339 -3.46111 -13.5413 14.8075 -13.5412 -5.32985 GPRESSAVG: 1931600 -1.47856 -10.2209 15.3496 -9.91711 -2.42737 -11.5423 12.7817 -15.3473 -5.55761 TIMING: 1931600 CPU: 5747.43, 0.00297852/step Wall: 5747.43, 0.00297852/step, 2.5387 hours remaining, 205.414062 MB of memory in use. ENERGY: 1931600 702.0246 2108.5085 1952.7117 126.5631 -206287.3049 17715.6726 0.0000 0.0000 34283.0426 -149398.7818 299.4023 -183681.8244 -149292.3215 297.9683 -29.2844 4.4246 557950.9278 -3.1572 -3.1545 PRESSURE: 1931800 379.919 81.8282 -84.56 81.8285 -31.3899 194.72 -84.5592 194.719 138.628 GPRESSURE: 1931800 456.719 112.874 -68.3056 71.9315 12.3158 103.077 -210.917 214.599 118.115 PRESSAVG: 1931800 -45.5051 -19.1592 24.1323 -19.1592 10.3648 -43.7929 24.1323 -43.7928 -0.3709 GPRESSAVG: 1931800 -42.8417 -17.506 24.7049 -21.6851 8.79685 -45.5447 24.4158 -42.174 -1.03298 TIMING: 1931800 CPU: 5748.03, 0.0029649/step Wall: 5748.03, 0.0029649/step, 2.52691 hours remaining, 205.414062 MB of memory in use. ENERGY: 1931800 737.8479 2079.2861 1935.4656 102.8532 -206648.6161 18083.7182 0.0000 0.0000 34230.6146 -149478.8305 298.9445 -183709.4451 -149382.0896 298.2739 162.3857 195.7165 556373.7943 -11.8370 -11.6926 PRESSURE: 1932000 105.344 -63.4283 67.8082 -63.4283 -12.7799 201.264 67.8082 201.264 60.101 GPRESSURE: 1932000 121.104 -67.9266 101.334 -93.2363 81.4252 144.696 -0.789321 275.971 45.9977 PRESSAVG: 1932000 69.4795 -40.7078 8.80707 -40.7077 -31.6391 -0.27062 8.8071 -0.270553 -89.3346 GPRESSAVG: 1932000 66.7389 -42.6054 8.63405 -39.4201 -29.7397 -2.7742 9.02422 0.602697 -88.4332 TIMING: 1932000 CPU: 5748.62, 0.00296541/step Wall: 5748.62, 0.00296541/step, 2.52719 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: 1932000 772.5822 2059.3435 1907.2170 112.7292 -206532.0364 18012.5234 0.0000 0.0000 34242.9859 -149424.6552 299.0525 -183667.6410 -149333.8349 298.3309 50.8883 82.8421 556767.2260 -17.1647 -17.1447 PRESSURE: 1932200 100.922 35.8584 -51.9443 35.8597 155.187 58.8683 -51.945 58.8677 -297.915 GPRESSURE: 1932200 100.59 -5.8724 35.7414 49.8371 203.226 -57.7056 -102.715 139.163 -241.067 PRESSAVG: 1932200 54.8541 -39.9192 -12.8023 -39.9193 48.8272 10.3799 -12.8023 10.3801 -78.9291 GPRESSAVG: 1932200 55.2704 -40.5997 -13.423 -39.5425 48.2469 12.1521 -11.8946 10.3857 -78.3255 TIMING: 1932200 CPU: 5749.21, 0.0029758/step Wall: 5749.21, 0.0029758/step, 2.53588 hours remaining, 205.414062 MB of memory in use. ENERGY: 1932200 732.4078 2082.1311 1927.5878 118.3281 -206304.8523 17824.1409 0.0000 0.0000 34209.9206 -149410.3360 298.7637 -183620.2566 -149309.0767 298.5160 -13.9358 20.9165 555844.7669 8.2508 8.3973 LDB: ============= START OF LOAD BALANCING ============== 5752.64 LDB: ============== END OF LOAD BALANCING =============== 5752.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5752.64 LDB: ============= START OF LOAD BALANCING ============== 5752.94 LDB: Largest compute 4847 load 0.024628 is 20.9% of average load 0.118043 LDB: Average compute 0.001727 is 1.5% of average load 0.118043 LDB: TIME 5752.94 LOAD: AVG 0.118043 MAX 0.202337 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.184 MB LDB: TIME 5752.94 LOAD: AVG 0.118043 MAX 0.202337 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.188 MB LDB: TIME 5752.94 LOAD: AVG 0.118043 MAX 0.202337 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5752.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5752.95 PRESSURE: 1932400 -79.0639 43.837 -98.7507 43.8369 -21.597 158.349 -98.7516 158.349 48.9925 GPRESSURE: 1932400 -64.1065 56.3248 -75.9379 79.0601 14.0432 147.864 -109.876 237.013 98.7748 PRESSAVG: 1932400 -18.9389 -33.4358 -25.97 -33.4356 58.54 35.6949 -25.9701 35.6951 -34.3362 GPRESSAVG: 1932400 -17.851 -31.7687 -26.2079 -33.754 58.1324 36.7801 -27.3388 35.2631 -35.0194 TIMING: 1932400 CPU: 5749.82, 0.00302416/step Wall: 5749.82, 0.00302416/step, 2.57692 hours remaining, 207.273438 MB of memory in use. ENERGY: 1932400 769.5891 2114.4299 1921.1428 124.4172 -206385.6158 17880.1359 0.0000 0.0000 34340.9529 -149234.9480 299.9081 -183575.9010 -149139.3619 299.5614 -17.2228 16.2372 556635.8569 1.7550 1.7540 PRESSURE: 1932600 133.541 -88.0395 2.56273 -88.0374 176.145 33.4023 2.56368 33.4042 59.0309 GPRESSURE: 1932600 140.134 -37.0197 -30.1998 -65.9424 250.279 5.70402 97.1735 131.829 77.0125 PRESSAVG: 1932600 4.68432 0.890426 -30.6911 0.890441 22.7019 7.8795 -30.6912 7.87944 -32.1284 GPRESSAVG: 1932600 4.28851 0.598635 -30.8128 0.810054 23.0819 6.83517 -29.4923 7.8479 -32.2559 TIMING: 1932600 CPU: 5750.41, 0.00295164/step Wall: 5750.41, 0.00295164/step, 2.51496 hours remaining, 207.273438 MB of memory in use. ENERGY: 1932600 753.1314 2134.9840 1911.5457 100.7100 -206702.4446 18025.3199 0.0000 0.0000 34497.2780 -149279.4756 301.2733 -183776.7536 -149177.2976 298.8236 122.9056 155.8083 556573.0683 -1.5807 -1.6285 PRESSURE: 1932800 165.031 61.2304 -137.058 61.2298 -6.93465 -32.6323 -137.058 -32.6324 50.2317 GPRESSURE: 1932800 200.762 42.4689 -184.235 25.1728 -10.9537 -4.49793 -99.5236 33.3939 118.064 PRESSAVG: 1932800 -12.29 -20.4326 -30.9729 -20.4325 47.8727 3.9926 -30.973 3.99273 -11.5208 GPRESSAVG: 1932800 -11.0957 -18.7393 -31.1962 -20.9557 47.2253 5.16146 -30.5475 5.01955 -11.9559 TIMING: 1932800 CPU: 5751.01, 0.0029906/step Wall: 5751.01, 0.0029906/step, 2.548 hours remaining, 207.273438 MB of memory in use. ENERGY: 1932800 700.6741 2092.9451 1930.8931 116.9522 -206419.2327 17769.3544 0.0000 0.0000 34308.3395 -149500.0743 299.6233 -183808.4139 -149407.8909 299.3223 69.4427 102.6242 557350.3774 8.0206 8.0579 PRESSURE: 1933000 -223.348 35.1109 -95.1834 35.111 -263.925 45.2124 -95.1829 45.212 -4.76175 GPRESSURE: 1933000 -218.701 23.1011 -56.5355 7.11185 -223.013 57.4536 -112.066 10.7109 43.743 PRESSAVG: 1933000 24.3632 13.433 3.1574 13.4329 -16.335 -24.7333 3.15742 -24.7333 3.98445 GPRESSAVG: 1933000 23.242 10.4086 3.33782 13.3816 -16.1631 -28.3726 1.82629 -23.8761 4.61499 TIMING: 1933000 CPU: 5751.6, 0.00298604/step Wall: 5751.6, 0.00298604/step, 2.54394 hours remaining, 207.273438 MB of memory in use. ENERGY: 1933000 808.1089 2090.4942 1945.7664 104.1738 -206470.9101 17871.1445 0.0000 0.0000 34251.1925 -149400.0298 299.1242 -183651.2223 -149292.4821 298.4352 -164.0115 -132.6570 558386.5643 4.0042 3.8980 PRESSURE: 1933200 -73.1345 24.0444 -55.3568 24.0436 -315.439 -198.413 -55.3572 -198.414 -45.7591 GPRESSURE: 1933200 25.6258 71.8596 4.65283 5.47401 -308.599 -181.93 -104.121 -144.17 -56.6898 PRESSAVG: 1933200 -18.7469 -4.44083 -6.66196 -4.44088 26.0641 -80.455 -6.6618 -80.455 7.47461 GPRESSAVG: 1933200 -18.8113 -3.02354 -8.6546 -4.89411 26.1797 -75.914 -6.29998 -82.8342 6.47357 TIMING: 1933200 CPU: 5752.2, 0.00298705/step Wall: 5752.2, 0.00298705/step, 2.54463 hours remaining, 207.273438 MB of memory in use. ENERGY: 1933200 766.5273 2002.1929 1945.4051 111.7034 -206289.6816 17612.2067 0.0000 0.0000 34312.7247 -149538.9215 299.6616 -183851.6462 -149438.8507 298.3783 -144.7776 -113.2208 557906.1332 4.9306 4.6140 PRESSURE: 1933400 -129.717 103.033 -30.9046 103.031 89.0232 -84.9232 -30.9029 -84.9231 -284.502 GPRESSURE: 1933400 -97.6629 85.7336 -50.241 63.9748 123.46 -60.963 -9.16018 -142.097 -254.532 PRESSAVG: 1933400 -25.4946 -1.03321 47.3026 -1.03322 62.3915 -61.4339 47.3026 -61.4339 31.2121 GPRESSAVG: 1933400 -25.5459 -0.418401 47.0893 -0.629621 61.5035 -62.5959 47.0579 -61.6502 31.6936 TIMING: 1933400 CPU: 5752.8, 0.00297973/step Wall: 5752.8, 0.00297973/step, 2.53824 hours remaining, 207.273438 MB of memory in use. ENERGY: 1933400 807.4952 2070.8048 1942.1698 106.6827 -206218.6192 17755.0478 0.0000 0.0000 34012.2392 -149524.1797 297.0373 -183536.4189 -149429.2467 298.1925 -108.3987 -76.2449 557704.7608 22.7030 22.5504 PRESSURE: 1933600 90.9539 -69.773 -163.867 -69.7742 -22.7047 55.2104 -163.866 55.2123 96.0022 GPRESSURE: 1933600 98.2513 -12.0533 -158.388 -111.007 50.1592 88.0611 -142.847 -14.7445 119.761 PRESSAVG: 1933600 -69.0502 20.1909 -35.0308 20.191 14.3447 -20.5873 -35.0307 -20.5872 68.8046 GPRESSAVG: 1933600 -69.9214 18.2966 -33.7129 19.3252 15.1613 -21.7241 -35.8719 -19.6215 69.0706 TIMING: 1933600 CPU: 5753.4, 0.00299268/step Wall: 5753.4, 0.00299268/step, 2.5491 hours remaining, 207.273438 MB of memory in use. ENERGY: 1933600 723.9169 2066.7728 1969.0576 107.7017 -206494.0667 17953.1299 0.0000 0.0000 34185.2483 -149488.2395 298.5483 -183673.4878 -149390.1131 298.3309 54.7505 89.3906 557191.8011 4.6997 4.7702 PRESSURE: 1933800 129.165 114.414 -197.456 114.415 3.83223 73.3534 -197.456 73.3524 206.446 GPRESSURE: 1933800 140.629 129.429 -141.161 80.5793 36.7686 80.0451 -277.899 44.6587 234.524 PRESSAVG: 1933800 34.297 8.32128 -41.4179 8.32123 26.8855 -7.67677 -41.418 -7.67666 -49.1734 GPRESSAVG: 1933800 34.3704 9.92987 -42.3562 9.99117 26.2653 -6.6711 -42.1637 -7.99185 -49.2211 TIMING: 1933800 CPU: 5754, 0.00299734/step Wall: 5754, 0.00299734/step, 2.5529 hours remaining, 207.273438 MB of memory in use. ENERGY: 1933800 698.0976 2036.6117 1970.8246 111.8889 -206158.5780 17880.2331 0.0000 0.0000 34252.6510 -149208.2711 299.1369 -183460.9221 -149111.1601 299.3415 113.1477 137.3072 557787.0253 4.0030 3.8049 PRESSURE: 1934000 177.066 50.6949 136.865 50.695 83.9748 -9.54368 136.865 -9.54267 25.8522 GPRESSURE: 1934000 231.272 53.7232 125.373 86.7237 136.814 -13.6449 153.655 15.2209 17.1749 PRESSAVG: 1934000 7.4537 11.6245 -4.31699 11.6243 -9.71759 -14.2647 -4.31704 -14.2648 -25.3267 GPRESSAVG: 1934000 7.81856 12.1296 -3.35563 11.0915 -8.99714 -13.6242 -2.42757 -15.9905 -26.6436 TIMING: 1934000 CPU: 5754.59, 0.00295949/step Wall: 5754.59, 0.00295949/step, 2.5205 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: 1934000 765.1845 2115.7984 1935.1497 136.1241 -206516.7336 18078.5504 0.0000 0.0000 34177.8295 -149308.0971 298.4835 -183485.9265 -149217.0198 299.1325 95.6311 128.4203 557467.9519 -9.1969 -9.2741 PRESSURE: 1934200 72.6857 -46.747 -50.456 -46.7469 120.707 -92.8028 -50.4569 -92.8031 349.84 GPRESSURE: 1934200 96.9597 -33.9128 -3.93933 -24.4173 203.796 -19.6673 -30.3565 -33.8218 332.485 PRESSAVG: 1934200 -31.9102 8.97231 -26.6421 8.97247 73.732 -18.8994 -26.642 -18.8994 16.7438 GPRESSAVG: 1934200 -31.7158 6.51223 -27.4896 11.4596 72.9398 -22.0194 -25.3349 -15.6599 17.337 TIMING: 1934200 CPU: 5755.18, 0.00297667/step Wall: 5755.18, 0.00297667/step, 2.53497 hours remaining, 207.273438 MB of memory in use. ENERGY: 1934200 725.8938 2060.8784 1967.3236 128.8575 -206586.2157 18159.7944 0.0000 0.0000 34284.6348 -149258.8333 299.4162 -183543.4681 -149160.6547 299.2157 181.0776 211.0803 557457.5924 19.5219 19.5203 PRESSURE: 1934400 -253.538 -66.2699 -247.472 -66.2704 -101.675 80.7763 -247.472 80.7775 -222.978 GPRESSURE: 1934400 -159.854 -129.905 -261.117 -42.6189 -54.2103 14.3642 -132.351 113.774 -273.86 PRESSAVG: 1934400 -16.7495 27.6895 -34.0655 27.6896 14.4039 -47.2817 -34.0655 -47.2816 9.68916 GPRESSAVG: 1934400 -17.7898 29.146 -33.7918 26.8349 14.5988 -44.6393 -35.2953 -49.4682 10.3939 TIMING: 1934400 CPU: 5755.78, 0.00296426/step Wall: 5755.78, 0.00296426/step, 2.52423 hours remaining, 207.273438 MB of memory in use. ENERGY: 1934400 807.8803 2079.5520 1937.0642 107.5333 -206371.0233 17759.5621 0.0000 0.0000 34407.6982 -149271.7331 300.4910 -183679.4314 -149175.7025 299.3951 -192.7303 -162.6417 557494.6495 2.4478 2.4010 PRESSURE: 1934600 -191.236 -235.395 -43.0923 -235.396 213.726 67.8385 -43.0923 67.8401 -127.001 GPRESSURE: 1934600 -150.616 -168.426 -32.9392 -284.867 203.68 26.8431 7.58436 8.35555 -62.9734 PRESSAVG: 1934600 -5.55854 -44.6709 -43.1684 -44.6709 9.93673 25.1561 -43.1683 25.1561 -41.4217 GPRESSAVG: 1934600 -3.71066 -43.3868 -42.5997 -45.0837 9.11663 23.343 -44.4153 26.8221 -41.9354 TIMING: 1934600 CPU: 5756.37, 0.00295713/step Wall: 5756.37, 0.00295713/step, 2.51799 hours remaining, 207.273438 MB of memory in use. ENERGY: 1934600 766.4030 2126.3977 1953.3981 115.3588 -206243.2767 17783.6045 0.0000 0.0000 34178.9260 -149319.1884 298.4931 -183498.1145 -149227.1058 298.9916 -34.8370 -3.3033 556472.3502 -12.3478 -12.1765 PRESSURE: 1934800 311.842 -164.051 79.5293 -164.051 -83.4457 331.528 79.5301 331.526 -33.1132 GPRESSURE: 1934800 334.949 -99.0479 -3.69535 -85.72 -92.2313 316.165 64.5468 320.245 52.0002 PRESSAVG: 1934800 -14.5683 -40.6377 -32.1509 -40.6378 -32.2813 -2.81093 -32.1509 -2.81087 -24.1586 GPRESSAVG: 1934800 -15.5387 -41.5772 -32.4614 -40.165 -32.47 -1.03201 -29.9992 -3.41963 -22.9778 TIMING: 1934800 CPU: 5756.96, 0.00295891/step Wall: 5756.96, 0.00295891/step, 2.51935 hours remaining, 207.273438 MB of memory in use. ENERGY: 1934800 749.8384 2084.9192 1955.4444 110.1562 -206734.0761 18196.3711 0.0000 0.0000 34326.7999 -149310.5471 299.7845 -183637.3469 -149216.4694 299.6272 65.0944 98.2392 557128.8829 -23.6694 -23.6622 PRESSURE: 1935000 -205.674 -51.9345 -131.676 -51.9346 -78.7198 -39.6333 -131.675 -39.6331 -47.8075 GPRESSURE: 1935000 -166.798 -0.68444 -194.157 -79.2207 -18.2247 -18.4667 -99.4765 -116.599 -35.5461 PRESSAVG: 1935000 19.3154 -13.9995 28.7804 -13.9996 -27.6334 -2.59994 28.7803 -2.59989 8.25339 GPRESSAVG: 1935000 18.7526 -14.3326 29.4592 -15.8975 -27.3106 -5.74372 26.6454 -1.54841 8.37946 TIMING: 1935000 CPU: 5757.55, 0.00296138/step Wall: 5757.55, 0.00296138/step, 2.52129 hours remaining, 207.273438 MB of memory in use. ENERGY: 1935000 798.7652 2149.9505 1948.8015 115.5141 -206371.1414 17703.1081 0.0000 0.0000 34228.5030 -149426.4990 298.9260 -183655.0020 -149334.3817 299.3400 -110.7338 -73.5230 557404.8366 -0.0215 -0.0595 PRESSURE: 1935200 -248.786 -26.7345 -84.7702 -26.7338 -228.68 102.838 -84.77 102.839 -238.14 GPRESSURE: 1935200 -182.994 -30.8622 -82.9907 -63.7688 -220.838 146.879 -21.3487 86.0023 -208.294 PRESSAVG: 1935200 -49.5145 33.499 -38.6912 33.4991 16.259 59.4714 -38.6912 59.4713 30.0683 GPRESSAVG: 1935200 -49.3708 34.7515 -39.5561 34.1256 16.8481 62.099 -37.6102 59.1206 29.4281 TIMING: 1935200 CPU: 5758.15, 0.00297563/step Wall: 5758.15, 0.00297563/step, 2.53325 hours remaining, 207.273438 MB of memory in use. ENERGY: 1935200 732.1370 2086.5740 1973.4480 108.7425 -205767.1967 17477.0645 0.0000 0.0000 34187.9728 -149201.2580 298.5721 -183389.2308 -149102.3601 299.0137 -238.5354 -204.0418 558425.6916 -1.0624 -1.0315 PRESSURE: 1935400 -131.072 4.33969 34.1324 4.33875 -304.179 -11.5711 34.1333 -11.5703 -137.21 GPRESSURE: 1935400 -90.371 7.27218 114.357 77.8665 -309.535 -107.348 -13.426 -56.6535 -77.8775 PRESSAVG: 1935400 13.6689 -4.93303 -31.6091 -4.93297 37.9425 4.08217 -31.6091 4.08227 -24.9145 GPRESSAVG: 1935400 13.3931 -6.97638 -30.7026 -4.86142 39.3052 2.11654 -32.81 5.50073 -25.7127 TIMING: 1935400 CPU: 5758.74, 0.00296014/step Wall: 5758.74, 0.00296014/step, 2.5199 hours remaining, 207.273438 MB of memory in use. ENERGY: 1935400 736.6942 2059.2659 1983.1427 107.0502 -205563.2045 17453.4763 0.0000 0.0000 34115.1954 -149108.3799 297.9365 -183223.5753 -149016.5029 299.2930 -190.8202 -159.2612 557444.3537 8.8990 8.9952 PRESSURE: 1935600 -16.8618 -84.362 47.7072 -84.3617 204.24 110.93 47.7063 110.931 41.5349 GPRESSURE: 1935600 13.6155 -84.6027 35.31 -103.518 215.019 92.4889 -39.112 44.2146 92.0162 PRESSAVG: 1935600 -10.267 30.0205 37.0414 30.0204 22.412 -21.9933 37.0414 -21.9934 4.14901 GPRESSAVG: 1935600 -9.7823 32.2248 36.8381 31.7951 21.7052 -19.6713 37.452 -23.6322 4.47704 TIMING: 1935600 CPU: 5759.33, 0.00296363/step Wall: 5759.33, 0.00296363/step, 2.52271 hours remaining, 207.273438 MB of memory in use. ENERGY: 1935600 750.9438 2121.7071 1965.2512 114.0951 -206282.3522 17865.5995 0.0000 0.0000 34424.4452 -149040.3104 300.6372 -183464.7555 -148945.6309 299.6047 76.3042 106.8835 556705.5449 5.4314 5.4667 PRESSURE: 1935800 124.653 96.3669 -63.6498 96.3659 10.6614 140.282 -63.6498 140.281 177.836 GPRESSURE: 1935800 172.795 63.4369 -16.3845 162.577 21.1824 148.615 -56.1074 174.098 200.858 PRESSAVG: 1935800 -33.9462 -17.553 17.9892 -17.5532 -40.3802 0.380542 17.9893 0.380527 64.7886 GPRESSAVG: 1935800 -34.6161 -17.7734 18.7218 -17.0067 -40.4749 0.450912 16.7408 -0.329841 65.3773 TIMING: 1935800 CPU: 5759.93, 0.00299822/step Wall: 5759.93, 0.00299822/step, 2.55198 hours remaining, 207.273438 MB of memory in use. ENERGY: 1935800 762.8377 2207.5946 1962.7864 118.7029 -206326.0802 17941.3839 0.0000 0.0000 34363.7053 -148969.0695 300.1068 -183332.7748 -148869.0788 299.8035 104.3833 131.6116 555016.6773 -3.1793 -3.2379 PRESSURE: 1936000 82.9993 170.159 42.3663 170.159 -62.1018 -30.105 42.3656 -30.1056 196.623 GPRESSURE: 1936000 92.6452 262.563 148.655 101.979 -8.74924 -79.0042 5.53905 50.8218 238.505 PRESSAVG: 1936000 26.744 -2.78187 2.39841 -2.78193 -20.991 45.831 2.39853 45.8309 25.9124 GPRESSAVG: 1936000 27.8035 -1.85403 2.03051 -3.86586 -21.375 45.6661 5.04961 46.7754 24.7903 TIMING: 1936000 CPU: 5760.53, 0.00300112/step Wall: 5760.53, 0.00300112/step, 2.55429 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: 1936000 751.5490 2114.6479 1975.5990 110.5454 -206255.6603 17876.4326 0.0000 0.0000 34346.2769 -149080.6096 299.9546 -183426.8865 -148991.0090 300.4411 72.5069 107.4670 557436.9261 10.5551 10.4063 PRESSURE: 1936200 119.258 165.526 84.0023 165.525 122.932 -116.769 84.0029 -116.769 224.064 GPRESSURE: 1936200 150.866 107.243 39.4118 124.175 110.601 -153.886 64.7198 -97.3129 310.481 PRESSAVG: 1936200 -31.6568 -7.29193 40.0397 -7.29197 -0.364954 5.9923 40.0396 5.99233 36.6928 GPRESSAVG: 1936200 -33.0992 -9.82964 40.8961 -5.14274 -0.175392 4.97739 38.2852 6.01961 38.4951 TIMING: 1936200 CPU: 5761.13, 0.00299685/step Wall: 5761.13, 0.00299685/step, 2.55048 hours remaining, 207.273438 MB of memory in use. ENERGY: 1936200 742.2684 2121.8043 1953.0849 118.6167 -206641.6412 18201.6276 0.0000 0.0000 34289.2390 -149215.0002 299.4565 -183504.2393 -149116.9565 299.4205 155.4179 190.6494 558173.6604 1.5570 1.7402 LDB: ============= START OF LOAD BALANCING ============== 5764.56 LDB: ============== END OF LOAD BALANCING =============== 5764.56 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5764.56 LDB: ============= START OF LOAD BALANCING ============== 5764.86 LDB: Largest compute 4847 load 0.024638 is 20.9% of average load 0.118082 LDB: Average compute 0.001714 is 1.5% of average load 0.118082 LDB: TIME 5764.87 LOAD: AVG 0.118082 MAX 0.200647 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.535 MB LDB: TIME 5764.87 LOAD: AVG 0.118082 MAX 0.200647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.535 MB LDB: TIME 5764.87 LOAD: AVG 0.118082 MAX 0.200647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.535 MB LDB: ============== END OF LOAD BALANCING =============== 5764.87 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5764.87 PRESSURE: 1936400 114.888 -219.813 182.247 -219.813 -213.698 3.61649 182.248 3.61681 -130.98 GPRESSURE: 1936400 157.308 -199.895 170.574 -143.156 -185.434 47.6368 109.845 -30.8317 -96.1836 PRESSAVG: 1936400 1.56535 25.4133 -22.1817 25.4133 -25.263 -61.155 -22.1816 -61.155 26.6343 GPRESSAVG: 1936400 2.07794 26.0764 -23.7578 24.8792 -24.344 -59.0334 -22.0117 -63.2112 25.4422 TIMING: 1936400 CPU: 5761.74, 0.00307262/step Wall: 5761.74, 0.00307262/step, 2.6148 hours remaining, 207.460938 MB of memory in use. ENERGY: 1936400 769.0249 1987.9939 1969.7382 121.6124 -206001.0612 17833.3920 0.0000 0.0000 34021.6060 -149297.6938 297.1191 -183319.2998 -149196.9122 299.2006 -76.5965 -41.4367 559768.4028 0.9789 1.0587 PRESSURE: 1936600 171.555 -20.9975 161.104 -20.9972 250.474 109.303 161.102 109.301 85.3087 GPRESSURE: 1936600 230.318 -21.912 156.118 -19.9211 231.756 122.898 173.534 38.083 140.984 PRESSAVG: 1936600 -37.261 0.115445 23.9598 0.115352 11.5037 3.24735 23.9598 3.24729 5.50349 GPRESSAVG: 1936600 -36.3655 0.623162 24.2138 -1.44631 10.7579 2.69439 23.1752 3.46059 5.11662 TIMING: 1936600 CPU: 5762.34, 0.00300147/step Wall: 5762.34, 0.00300147/step, 2.55408 hours remaining, 207.664062 MB of memory in use. ENERGY: 1936600 720.8671 2042.3019 1981.9495 110.6475 -206532.2961 18204.3315 0.0000 0.0000 34087.2941 -149384.9044 297.6928 -183472.1986 -149290.5711 298.5511 169.1124 201.0193 557461.5948 -6.7513 -6.8303 PRESSURE: 1936800 84.8772 242.103 98.0719 242.104 -88.9136 215.759 98.0717 215.76 -89.0456 GPRESSURE: 1936800 81.3855 192.78 88.478 266.634 -46.8134 120.051 106.665 197.546 -29.7306 PRESSAVG: 1936800 10.4652 -5.7046 41.013 -5.70458 50.752 54.8686 41.0129 54.8686 -2.37748 GPRESSAVG: 1936800 10.1641 -6.27356 40.0467 -4.66173 51.1562 53.6827 43.7219 55.8231 -3.12771 TIMING: 1936800 CPU: 5762.94, 0.00297381/step Wall: 5762.94, 0.00297381/step, 2.53038 hours remaining, 207.664062 MB of memory in use. ENERGY: 1936800 730.2130 2115.8228 1957.8890 103.8595 -206339.7967 17784.5778 0.0000 0.0000 34097.2417 -149550.1930 297.7797 -183647.4346 -149462.2536 298.7887 -31.0274 1.6138 559134.5030 19.6132 19.3975 PRESSURE: 1937000 -197.518 -25.642 -128.031 -25.643 48.3062 8.86654 -128.031 8.86578 -191.768 GPRESSURE: 1937000 -152.826 -67.6413 -88.1417 45.0534 38.8482 50.9921 -63.2152 134.715 -124.095 PRESSAVG: 1937000 34.0134 11.4634 30.5381 11.4633 -16.3326 8.36158 30.5381 8.36156 -36.4451 GPRESSAVG: 1937000 34.723 10.4593 31.2254 11.4553 -16.9121 9.73882 29.4925 8.12829 -36.3374 TIMING: 1937000 CPU: 5763.53, 0.00296712/step Wall: 5763.53, 0.00296712/step, 2.52452 hours remaining, 207.664062 MB of memory in use. ENERGY: 1937000 758.6517 2029.0227 1938.2224 117.5059 -206704.2035 17983.1352 0.0000 0.0000 34141.8089 -149735.8568 298.1689 -183877.6657 -149636.4181 297.7221 -113.6600 -79.3575 557031.6610 -6.2548 -6.1755 PRESSURE: 1937200 -60.1763 -0.234378 58.2637 -0.234455 117.47 170.506 58.2642 170.505 -70.8395 GPRESSURE: 1937200 19.8787 11.2259 101.597 23.2608 93.2805 142.731 8.90687 177.549 -30.4726 PRESSAVG: 1937200 -34.7353 -16.055 50.5361 -16.055 64.8385 11.4771 50.5361 11.477 -65.6077 GPRESSAVG: 1937200 -35.0194 -14.5313 49.8772 -15.9671 64.4612 10.1201 50.8227 12.132 -64.6919 TIMING: 1937200 CPU: 5764.13, 0.00297112/step Wall: 5764.13, 0.00297112/step, 2.52776 hours remaining, 207.664062 MB of memory in use. ENERGY: 1937200 723.9576 2074.1821 1955.8373 109.0714 -206675.1853 18136.6337 0.0000 0.0000 34098.0940 -149577.4092 297.7871 -183675.5032 -149485.3610 297.8929 -4.5153 27.5622 559640.4258 -11.8348 -11.7501 PRESSURE: 1937400 244.465 -45.3661 84.904 -45.3657 386.872 -98.2127 84.9027 -98.2139 127.104 GPRESSURE: 1937400 302.357 -102.388 48.1679 24.5582 424.474 -84.3009 175.613 -117.098 122.461 PRESSAVG: 1937400 91.4504 -7.35528 -21.8547 -7.35515 55.5976 9.07813 -21.8548 9.07813 -118.345 GPRESSAVG: 1937400 90.7413 -9.04186 -21.2163 -7.07053 56.2048 10.9302 -21.4786 9.29486 -118.399 TIMING: 1937400 CPU: 5764.72, 0.00298388/step Wall: 5764.72, 0.00298388/step, 2.53845 hours remaining, 207.664062 MB of memory in use. ENERGY: 1937400 739.0946 2090.1839 1914.2338 110.7444 -206782.4041 18326.8460 0.0000 0.0000 34072.2299 -149529.0716 297.5613 -183601.3015 -149431.0734 298.1197 252.8137 283.0973 558751.5722 9.5677 9.5157 PRESSURE: 1937600 9.29083 200.993 134.677 200.994 3.24916 -30.01 134.677 -30.01 -213.235 GPRESSURE: 1937600 51.7511 293.228 67.5308 167.935 2.62595 -7.49574 106.967 -27.2596 -161.799 PRESSAVG: 1937600 33.0742 -16.8086 -12.0052 -16.8086 -29.2193 -42.5413 -12.0053 -42.5413 -9.3055 GPRESSAVG: 1937600 32.0013 -15.2858 -10.8213 -17.7642 -28.1717 -42.561 -14.5588 -43.4613 -9.52073 TIMING: 1937600 CPU: 5765.32, 0.00299912/step Wall: 5765.32, 0.00299912/step, 2.55125 hours remaining, 207.664062 MB of memory in use. ENERGY: 1937600 730.0317 2078.8301 1943.5893 107.3955 -206349.3246 17796.3682 0.0000 0.0000 34109.4494 -149583.6604 297.8863 -183693.1098 -149481.2405 297.9148 -66.8982 -35.8072 557787.3739 -1.8169 -1.8970 PRESSURE: 1937800 -242.126 45.8065 -173.047 45.8062 -230.448 -50.4616 -173.047 -50.4614 -206.348 GPRESSURE: 1937800 -219.541 90.4752 -190.998 86.4976 -190.01 3.37459 -121.623 -13.7305 -176.503 PRESSAVG: 1937800 10.1047 51.006 -53.3637 51.0061 -30.6464 39.6442 -53.3636 39.6442 35.0825 GPRESSAVG: 1937800 10.037 51.2112 -54.7676 51.6187 -31.0588 37.8091 -52.5393 40.3182 35.6861 TIMING: 1937800 CPU: 5765.92, 0.00299749/step Wall: 5765.92, 0.00299749/step, 2.5497 hours remaining, 207.664062 MB of memory in use. ENERGY: 1937800 739.9669 2061.8894 1936.9578 105.2670 -206249.0535 17586.4175 0.0000 0.0000 34169.1334 -149649.4215 298.4075 -183818.5549 -149560.4314 297.3270 -226.3075 -195.3515 557312.0548 4.8470 4.8881 PRESSURE: 1938000 -43.4735 -43.6902 42.2283 -43.6891 -116.009 -29.4558 42.2293 -29.4548 -194.742 GPRESSURE: 1938000 -76.907 -58.4207 90.5032 18.9363 -68.3479 -80.3112 -7.00791 32.9353 -111.733 PRESSAVG: 1938000 55.6468 31.9336 -3.56783 31.9336 0.439046 -17.4176 -3.56789 -17.4177 -26.0395 GPRESSAVG: 1938000 57.0759 33.0607 -1.24594 31.9844 0.423902 -18.6138 -5.57805 -16.6931 -27.4444 TIMING: 1938000 CPU: 5766.52, 0.00300913/step Wall: 5766.52, 0.00300913/step, 2.55943 hours remaining, 207.664062 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: 1938000 770.8824 2080.6763 1921.3228 110.8168 -206527.6006 17875.6636 0.0000 0.0000 34010.4809 -149757.7579 297.0220 -183768.2388 -149658.7052 297.6674 -118.0748 -85.6627 557222.9614 10.0154 10.0184 PRESSURE: 1938200 158.901 -53.0432 -128.7 -53.0433 -286.031 -3.85956 -128.7 -3.85993 121.414 GPRESSURE: 1938200 267.739 -62.132 -158.327 -56.0265 -285.014 -14.56 -169.524 -30.3193 104.093 PRESSAVG: 1938200 -15.9899 3.30397 2.95612 3.30388 -9.81183 -44.6758 2.95613 -44.6758 77.0193 GPRESSAVG: 1938200 -16.0725 0.143656 1.32255 3.85013 -10.6649 -41.5189 5.30687 -48.2008 78.264 TIMING: 1938200 CPU: 5767.13, 0.00300652/step Wall: 5767.13, 0.00300652/step, 2.55705 hours remaining, 207.664062 MB of memory in use. ENERGY: 1938200 743.2382 2035.0745 1939.5417 108.6594 -206591.5773 17837.4149 0.0000 0.0000 34274.6874 -149652.9612 299.3294 -183927.6485 -149553.8706 297.5900 -1.9054 28.9390 556495.8640 17.0725 17.1755 PRESSURE: 1938400 107.606 8.75163 -104.174 8.75119 -72.926 -71.5851 -104.173 -71.5862 -25.5255 GPRESSURE: 1938400 130.52 -15.2126 -103.201 -55.5878 -38.9742 -113.619 -105.443 -42.9247 8.2833 PRESSAVG: 1938400 29.7678 17.9195 -25.5541 17.9194 -65.3888 13.5801 -25.5542 13.58 7.82564 GPRESSAVG: 1938400 28.6162 17.6762 -25.3901 17.9355 -65.7045 11.7095 -25.5282 16.2382 9.65536 TIMING: 1938400 CPU: 5767.72, 0.00299127/step Wall: 5767.72, 0.00299127/step, 2.54391 hours remaining, 207.664062 MB of memory in use. ENERGY: 1938400 724.1802 2088.2230 1945.0414 119.5491 -206736.7213 17947.6959 0.0000 0.0000 34198.8637 -149713.1680 298.6672 -183912.0317 -149618.6270 297.7838 3.0515 33.2764 556190.1562 -9.2651 -9.1443 PRESSURE: 1938600 -245.41 6.60258 -8.7917 6.60139 113.429 -154.454 -8.79063 -154.456 -261.749 GPRESSURE: 1938600 -202.858 -57.8488 -10.5809 -3.80438 68.1815 -160.481 26.067 -101.738 -173.243 PRESSAVG: 1938600 -47.2232 8.21722 -5.65196 8.21714 33.6005 10.6055 -5.65202 10.6056 10.8274 GPRESSAVG: 1938600 -46.8393 10.1679 -6.92973 8.09584 34.4938 9.92176 -5.40611 10.6945 9.32374 TIMING: 1938600 CPU: 5768.33, 0.00301213/step Wall: 5768.33, 0.00301213/step, 2.56148 hours remaining, 207.664062 MB of memory in use. ENERGY: 1938600 765.6172 2085.5982 1944.2847 108.0862 -206275.7560 17761.1813 0.0000 0.0000 34008.1433 -149602.8450 297.0016 -183610.9883 -149509.8305 297.3768 -131.2430 -102.6397 557871.5731 -0.9318 -1.0073 PRESSURE: 1938800 7.19121 -40.4962 -40.449 -40.4953 -0.34602 -28.1525 -40.4502 -28.153 -304.621 GPRESSURE: 1938800 51.718 -123.707 30.5942 18.2877 17.9467 59.7858 -93.8626 -35.055 -282.401 PRESSAVG: 1938800 14.6281 38.2857 25.7765 38.2857 -36.6014 -22.3797 25.7766 -22.3797 11.1782 GPRESSAVG: 1938800 14.5086 35.8424 27.6778 37.3319 -37.2809 -22.5993 26.8617 -22.7709 11.9162 TIMING: 1938800 CPU: 5768.93, 0.00301265/step Wall: 5768.93, 0.00301265/step, 2.56176 hours remaining, 207.664062 MB of memory in use. ENERGY: 1938800 754.9352 2079.4223 1915.8282 117.3945 -206576.5649 17839.2224 0.0000 0.0000 34222.4453 -149647.3169 298.8731 -183869.7622 -149547.9120 297.5971 -99.2587 -70.9121 557204.7884 -3.5984 -3.6187 PRESSURE: 1939000 11.622 -88.4967 -101.041 -88.4963 163.308 64.4383 -101.042 64.4377 239.664 GPRESSURE: 1939000 92.4053 -66.0044 -134.939 -71.862 171.857 53.9763 -104.872 33.4304 262.102 PRESSAVG: 1939000 -49.4589 -32.2826 -29.605 -32.2826 -9.93331 -39.6603 -29.605 -39.6603 46.6379 GPRESSAVG: 1939000 -49.197 -27.2194 -30.9782 -31.8615 -9.83175 -39.2458 -30.5879 -38.1062 46.703 TIMING: 1939000 CPU: 5769.53, 0.00299936/step Wall: 5769.53, 0.00299936/step, 2.55029 hours remaining, 207.664062 MB of memory in use. ENERGY: 1939000 717.7292 2012.6610 1955.5354 121.1152 -206778.0535 18163.1622 0.0000 0.0000 34147.8555 -149659.9950 298.2217 -183807.8504 -149566.0439 298.1018 138.1977 175.4547 557535.1497 -4.2514 -4.1086 PRESSURE: 1939200 297.378 23.6071 -70.6149 23.6075 182.148 164.36 -70.6155 164.361 76.8867 GPRESSURE: 1939200 321.58 39.1507 -148.721 -3.11916 210.448 198.663 -108.045 8.73581 122.186 PRESSAVG: 1939200 -7.44069 24.9021 10.426 24.902 22.0086 -43.7106 10.426 -43.7106 10.604 GPRESSAVG: 1939200 -6.74473 24.807 9.94659 21.6354 21.6211 -42.9479 9.96012 -45.6461 10.6056 TIMING: 1939200 CPU: 5770.12, 0.00296839/step Wall: 5770.12, 0.00296839/step, 2.52379 hours remaining, 207.664062 MB of memory in use. ENERGY: 1939200 706.3897 2106.6830 1956.4552 111.3651 -206546.5395 17985.3562 0.0000 0.0000 34061.5521 -149618.7383 297.4680 -183680.2904 -149522.3553 297.6758 185.4710 218.0715 556774.5297 8.3906 8.4940 PRESSURE: 1939400 19.9664 55.5322 -16.93 55.5329 -88.2864 -158.514 -16.9306 -158.513 -412.974 GPRESSURE: 1939400 75.9209 38.8118 -39.0862 94.0291 -88.7554 -153.992 1.23066 -163.169 -396.28 PRESSAVG: 1939400 14.6453 -8.94147 75.0863 -8.94146 -54.4134 45.4965 75.0863 45.4965 16.5905 GPRESSAVG: 1939400 13.9476 -9.49821 75.6875 -8.89444 -52.416 42.9763 75.5838 47.4105 16.0175 TIMING: 1939400 CPU: 5770.72, 0.00298742/step Wall: 5770.72, 0.00298742/step, 2.53981 hours remaining, 207.664062 MB of memory in use. ENERGY: 1939400 736.3502 2094.5438 1933.1583 113.2140 -206014.8531 17417.3714 0.0000 0.0000 34263.1312 -149457.0842 299.2284 -183720.2154 -149368.0783 298.1849 -160.4312 -136.3714 556492.7676 -7.7259 -7.4837 PRESSURE: 1939600 -95.8719 -120.106 -22.1178 -120.105 115.54 -37.1344 -22.1182 -37.1341 -5.06849 GPRESSURE: 1939600 -62.2639 -35.7503 -25.1132 -33.4864 81.9371 -112.336 -15.8109 63.7725 97.1414 PRESSAVG: 1939600 67.3969 21.5341 63.0283 21.5341 -8.03321 -31.7171 63.0283 -31.7172 -40.0603 GPRESSAVG: 1939600 70.2495 20.9197 62.261 24.5309 -10.0169 -32.0892 62.3552 -31.4839 -41.0221 TIMING: 1939600 CPU: 5771.31, 0.00297097/step Wall: 5771.31, 0.00297097/step, 2.52566 hours remaining, 207.664062 MB of memory in use. ENERGY: 1939600 782.9585 2044.9608 1964.0489 111.2749 -206211.1718 17922.3205 0.0000 0.0000 33926.6473 -149458.9607 296.2898 -183385.6080 -149358.5317 298.2067 4.8667 38.9382 556631.2165 6.4344 6.4035 PRESSURE: 1939800 186.706 139.681 19.7177 139.682 187.871 -67.7034 19.7175 -67.7046 108.733 GPRESSURE: 1939800 208.891 108.47 -57.2529 179.808 196.581 -45.1023 71.5988 -45.5859 181.878 PRESSAVG: 1939800 5.29709 -5.49188 -2.49894 -5.49179 1.12401 -16.5798 -2.49898 -16.5797 25.5076 GPRESSAVG: 1939800 4.75646 -5.3049 -3.47802 -6.05799 1.82304 -15.4353 -0.611143 -18.399 25.4498 TIMING: 1939800 CPU: 5771.92, 0.00300595/step Wall: 5771.92, 0.00300595/step, 2.55522 hours remaining, 207.664062 MB of memory in use. ENERGY: 1939800 756.6146 2096.8817 1934.0982 103.9179 -206832.2808 18199.4130 0.0000 0.0000 34262.8873 -149478.4681 299.2263 -183741.3554 -149375.6661 298.0987 161.1031 195.7834 555869.5330 10.6429 10.6764 PRESSURE: 1940000 -251.216 -62.6352 188.217 -62.6356 -66.3313 -124.811 188.216 -124.811 117.582 GPRESSURE: 1940000 -193.398 17.3221 245.018 -62.6475 -46.6431 -151.772 205.614 -95.1791 132.236 PRESSAVG: 1940000 15.7162 13.7148 45.229 13.7148 -60.7296 -19.4559 45.2289 -19.4557 24.7042 GPRESSAVG: 1940000 15.2631 11.6952 46.7404 12.3315 -60.7977 -19.1071 43.9486 -17.3091 25.6219 TIMING: 1940000 CPU: 5772.52, 0.0030088/step Wall: 5772.52, 0.0030088/step, 2.55748 hours remaining, 207.664062 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: 1940000 738.5789 2050.2387 1954.8949 106.2801 -206375.0902 17966.1277 0.0000 0.0000 34215.0538 -149343.9161 298.8086 -183558.9699 -149245.7515 298.6563 -66.6550 -35.9353 558631.1835 -6.7697 -6.6375 PRESSURE: 1940200 128.119 14.9776 72.8176 14.977 4.40618 -190.961 72.8182 -190.96 56.8464 GPRESSURE: 1940200 189.532 -21.0449 52.9547 -4.04765 15.3892 -212.541 99.9303 -198.49 87.2273 PRESSAVG: 1940200 -18.3348 25.2369 24.6519 25.237 20.9337 -31.5133 24.652 -31.5133 -15.7067 GPRESSAVG: 1940200 -19.0664 28.0492 25.7975 24.3449 21.52 -30.5834 22.3455 -33.3902 -15.2704 TIMING: 1940200 CPU: 5773.11, 0.00297076/step Wall: 5773.11, 0.00297076/step, 2.52498 hours remaining, 207.664062 MB of memory in use. ENERGY: 1940200 747.7134 2052.0703 1966.9679 113.0549 -206576.7510 18088.1715 0.0000 0.0000 34288.5948 -149320.1783 299.4508 -183608.7731 -149223.5855 298.8972 63.1238 97.3828 558800.8963 -4.3693 -4.2723 LDB: ============= START OF LOAD BALANCING ============== 5776.54 LDB: ============== END OF LOAD BALANCING =============== 5776.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5776.54 LDB: ============= START OF LOAD BALANCING ============== 5776.84 LDB: Largest compute 4821 load 0.025202 is 21.3% of average load 0.118141 LDB: Average compute 0.001714 is 1.5% of average load 0.118141 LDB: TIME 5776.84 LOAD: AVG 0.118141 MAX 0.198647 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.859 MB LDB: TIME 5776.84 LOAD: AVG 0.118141 MAX 0.198647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.863 MB LDB: TIME 5776.84 LOAD: AVG 0.118141 MAX 0.198647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.863 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5776.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5776.85 PRESSURE: 1940400 -144.652 73.0269 -147.369 73.026 39.6162 125.293 -147.369 125.294 -255.71 GPRESSURE: 1940400 -54.8451 70.2892 -168.364 88.1846 50.1224 218.78 -112.355 138.931 -250.391 PRESSAVG: 1940400 4.78456 2.99006 -13.2363 2.99008 9.81371 -30.435 -13.2364 -30.435 -36.4278 GPRESSAVG: 1940400 4.09702 0.849912 -14.4315 3.49255 10.0916 -29.7713 -9.04916 -32.7635 -36.0678 TIMING: 1940400 CPU: 5773.72, 0.00302438/step Wall: 5773.72, 0.00302438/step, 2.57039 hours remaining, 206.562500 MB of memory in use. ENERGY: 1940400 775.0977 2077.2719 1942.7146 102.5621 -205896.2659 17659.6343 0.0000 0.0000 34153.5279 -149185.4574 298.2713 -183338.9853 -149087.6649 298.6836 -120.2489 -85.0379 557613.0058 -7.2765 -7.2931 PRESSURE: 1940600 139.786 -139.92 -86.4889 -139.92 13.16 -106.931 -86.4874 -106.932 196.126 GPRESSURE: 1940600 212.107 -186.476 -87.115 -166.297 50.6543 -219.089 -118.262 -142.737 190.739 PRESSAVG: 1940600 15.203 -28.0996 -42.9082 -28.0995 36.4403 47.1428 -42.9082 47.1428 -53.6907 GPRESSAVG: 1940600 15.8645 -26.9251 -42.3385 -26.0956 36.2593 46.0088 -45.9433 48.7909 -54.0538 TIMING: 1940600 CPU: 5774.31, 0.0029721/step Wall: 5774.31, 0.00297209/step, 2.52579 hours remaining, 206.886719 MB of memory in use. ENERGY: 1940600 719.6010 2060.6250 1953.7811 114.3694 -206278.9660 17887.4930 0.0000 0.0000 34284.9187 -149258.1779 299.4187 -183543.0966 -149155.6376 299.1420 116.3576 151.1667 555880.1332 -0.6825 -0.6434 PRESSURE: 1940800 -205.929 -27.2876 65.1929 -27.2876 -64.9551 -55.9519 65.1933 -55.9516 267.299 GPRESSURE: 1940800 -147.495 -24.0221 22.0242 -35.8649 -20.4505 -92.6274 139.573 -26.3947 247.95 PRESSAVG: 1940800 -28.0701 -22.3994 -18.9219 -22.3994 -36.1211 2.94601 -18.922 2.94602 44.9025 GPRESSAVG: 1940800 -27.6706 -24.1348 -19.6716 -22.3581 -36.723 1.59051 -16.3283 6.17455 44.571 TIMING: 1940800 CPU: 5774.9, 0.00295676/step Wall: 5774.9, 0.00295676/step, 2.51259 hours remaining, 206.886719 MB of memory in use. ENERGY: 1940800 747.7408 1986.8219 1962.7903 110.3113 -205774.4772 17656.5366 0.0000 0.0000 34172.4220 -149137.8543 298.4363 -183310.2763 -149033.4999 299.6611 -1.1951 26.6681 557768.2762 -6.4296 -6.6075 PRESSURE: 1941000 185.532 -16.7048 28.1725 -16.7049 -154.528 -29.8144 28.1729 -29.8138 -166.177 GPRESSURE: 1941000 188.216 -32.7537 -26.7998 67.3989 -127.982 -9.158 -8.14508 -80.4417 -95.4908 PRESSAVG: 1941000 26.7771 -1.07834 -31.2218 -1.07837 41.8951 20.1757 -31.2218 20.1756 -38.7063 GPRESSAVG: 1941000 26.3546 -2.97141 -32.7528 -1.19727 41.5233 23.367 -32.982 16.0379 -38.4967 TIMING: 1941000 CPU: 5775.49, 0.00295392/step Wall: 5775.49, 0.00295392/step, 2.51001 hours remaining, 206.886719 MB of memory in use. ENERGY: 1941000 776.1296 2044.1628 1964.3180 128.1208 -206069.2171 17693.7898 0.0000 0.0000 34438.6838 -149024.0123 300.7616 -183462.6961 -148929.7133 298.8051 -45.0574 -11.7522 556440.8293 9.9886 9.7937 PRESSURE: 1941200 48.7858 -31.4058 -58.3067 -31.4065 53.8942 -74.5559 -58.3073 -74.5583 148.029 GPRESSURE: 1941200 147.617 -33.3359 -12.2957 -10.8551 70.9835 -53.4352 -60.7455 -38.9669 124.679 PRESSAVG: 1941200 76.7875 23.2332 5.5965 23.2332 16.6597 14.0124 5.59651 14.0123 -70.4855 GPRESSAVG: 1941200 76.8623 24.7328 9.05898 21.4937 17.191 11.7742 4.58437 15.9893 -70.5163 TIMING: 1941200 CPU: 5776.08, 0.0029579/step Wall: 5776.08, 0.0029579/step, 2.51323 hours remaining, 206.886719 MB of memory in use. ENERGY: 1941200 697.4528 2093.9571 1970.0933 120.1414 -206010.5908 17756.4852 0.0000 0.0000 34354.7287 -149017.7323 300.0284 -183372.4610 -148924.6035 299.9968 83.5695 114.4266 556665.6184 7.6539 7.8457 PRESSURE: 1941400 -148.94 64.2372 26.3149 64.2372 53.2254 114.65 26.3162 114.649 -134.947 GPRESSURE: 1941400 -91.5144 6.90176 -13.7399 79.6511 116.181 65.2919 53.3433 111.059 -158.092 PRESSAVG: 1941400 -21.6972 26.7383 -18.6371 26.7382 42.8284 -39.2301 -18.637 -39.2302 -20.1608 GPRESSAVG: 1941400 -21.94 24.1219 -20.9456 27.6392 42.8904 -40.6131 -18.5135 -37.482 -19.8142 TIMING: 1941400 CPU: 5776.68, 0.00298034/step Wall: 5776.68, 0.00298034/step, 2.53213 hours remaining, 206.886719 MB of memory in use. ENERGY: 1941400 748.5510 2029.6078 1933.9612 109.7451 -205670.9885 17755.6814 0.0000 0.0000 34304.5840 -148788.8581 299.5905 -183093.4421 -148688.4242 300.3029 -76.8871 -44.4753 559230.6329 0.3235 0.3787 PRESSURE: 1941600 -75.3769 17.9025 47.1748 17.902 -27.0814 82.6818 47.174 82.6832 -64.7277 GPRESSURE: 1941600 -25.7031 2.86834 -4.03507 56.5389 -14.6793 55.1689 31.9198 129.06 -28.1023 PRESSAVG: 1941600 -8.20717 46.3764 -18.7128 46.3765 -5.49114 -27.6181 -18.7128 -27.618 -5.63239 GPRESSAVG: 1941600 -8.21299 48.6117 -17.1901 45.6494 -5.86087 -24.8491 -17.2166 -31.9941 -5.26764 TIMING: 1941600 CPU: 5777.28, 0.00297937/step Wall: 5777.28, 0.00297937/step, 2.53114 hours remaining, 206.886719 MB of memory in use. ENERGY: 1941600 727.3032 2024.6280 1980.8616 119.0042 -205763.6770 17615.1353 0.0000 0.0000 34408.4194 -148888.3253 300.4973 -183296.7447 -148796.2555 299.9223 -55.7287 -22.8282 557629.5783 -6.4436 -6.4472 PRESSURE: 1941800 185.999 2.89764 44.6176 2.89805 -249.705 22.4036 44.6178 22.4058 94.4618 GPRESSURE: 1941800 187.127 94.3673 64.8976 6.59706 -158.13 55.3922 99.3356 -26.4657 121.721 PRESSAVG: 1941800 13.9639 45.1218 27.3243 45.1219 14.0968 21.5235 27.3242 21.5236 0.153619 GPRESSAVG: 1941800 14.7481 45.5963 25.9763 45.257 14.6036 20.4219 25.6852 23.5135 -0.620858 TIMING: 1941800 CPU: 5777.87, 0.00297522/step Wall: 5777.87, 0.00297522/step, 2.52745 hours remaining, 206.886719 MB of memory in use. ENERGY: 1941800 723.2722 2084.8499 1956.3253 110.5609 -205758.5496 17724.4563 0.0000 0.0000 34181.3710 -148977.7140 298.5144 -183159.0850 -148881.2746 300.1865 10.2518 50.2395 557392.7972 9.4048 9.5770 PRESSURE: 1942000 223.152 102.391 -101.561 102.39 65.9261 -64.3874 -101.561 -64.386 -214.894 GPRESSURE: 1942000 239.774 64.1804 0.394581 35.9358 65.6224 -97.6401 -68.3095 -115.555 -141.325 PRESSAVG: 1942000 -29.4127 -38.7001 13.8856 -38.7001 45.6843 13.5037 13.8856 13.5039 -13.6272 GPRESSAVG: 1942000 -29.0719 -38.144 14.5436 -38.0844 44.2295 15.2438 15.447 13.2466 -12.9247 TIMING: 1942000 CPU: 5778.47, 0.00297586/step Wall: 5778.47, 0.00297586/step, 2.52783 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: 1942000 760.8150 2083.0783 1958.5392 111.4570 -205840.4684 17773.7284 0.0000 0.0000 34112.3576 -149040.4929 297.9117 -183152.8505 -148939.1294 299.5341 24.7278 54.6903 557994.0021 0.8814 0.7443 PRESSURE: 1942200 266.227 78.2105 -21.3885 78.2111 -81.1701 -192.749 -21.3873 -192.749 194.95 GPRESSURE: 1942200 319.738 85.2193 -4.87245 37.6014 -42.7096 -334.138 -42.9786 -36.6324 198.904 PRESSAVG: 1942200 1.95092 21.8701 28.4528 21.8701 -24.1581 21.1633 28.4528 21.1632 44.2793 GPRESSAVG: 1942200 0.594834 21.8285 25.7002 20.6901 -23.4181 17.3678 31.1679 22.0836 44.1845 TIMING: 1942200 CPU: 5779.07, 0.00299612/step Wall: 5779.07, 0.00299612/step, 2.54487 hours remaining, 206.886719 MB of memory in use. ENERGY: 1942200 695.9271 2094.4669 1925.5087 88.0521 -206065.6136 17763.7130 0.0000 0.0000 34543.4458 -148954.5002 301.6765 -183497.9460 -148858.3760 299.8738 126.6692 158.6441 557650.0659 7.3574 7.1204 PRESSURE: 1942400 -69.6762 -67.1985 -50.5106 -67.1982 -19.1761 3.23184 -50.5101 3.23069 -77.5463 GPRESSURE: 1942400 -26.5888 -83.8013 -23.6996 -17.8572 56.0151 -36.7882 -136.593 58.8508 -96.633 PRESSAVG: 1942400 -28.3756 -20.0565 -6.59429 -20.0565 4.89198 -1.2994 -6.59425 -1.29933 1.34842 GPRESSAVG: 1942400 -27.5354 -20.8767 -4.20883 -20.5639 5.0121 0.464692 -9.81024 -1.73257 0.96763 TIMING: 1942400 CPU: 5779.66, 0.00297273/step Wall: 5779.66, 0.00297273/step, 2.52484 hours remaining, 206.886719 MB of memory in use. ENERGY: 1942400 751.1044 2093.3893 1952.2341 110.9281 -206208.8657 17896.1743 0.0000 0.0000 34379.5631 -149025.4724 300.2453 -183405.0355 -148924.0217 300.3256 -55.4662 -22.4022 557787.0475 -7.3784 -7.1852 PRESSURE: 1942600 -266.313 65.095 -292.871 65.0946 -122.254 -98.5651 -292.871 -98.5639 2.42911 GPRESSURE: 1942600 -233.286 69.3689 -348.249 32.0468 -56.9543 -43.4687 -214.315 -115.962 -2.72673 PRESSAVG: 1942600 -47.9535 -47.9529 -36.1805 -47.9528 -41.2054 37.9512 -36.1804 37.9511 67.5243 GPRESSAVG: 1942600 -48.0996 -46.7359 -35.5195 -48.0021 -40.3855 36.8282 -35.7204 37.5764 67.2077 TIMING: 1942600 CPU: 5780.26, 0.00298007/step Wall: 5780.26, 0.00298007/step, 2.5309 hours remaining, 206.886719 MB of memory in use. ENERGY: 1942600 755.2606 2112.4740 1947.5267 108.8776 -205504.5036 17436.4730 0.0000 0.0000 34248.3471 -148895.5446 299.0993 -183143.8916 -148796.5161 299.7031 -128.7124 -97.6557 557593.6222 -7.2115 -7.0925 PRESSURE: 1942800 233.438 -213.534 -16.7338 -213.535 -0.89759 -19.9379 -16.7338 -19.9386 375.953 GPRESSURE: 1942800 236.811 -236.939 64.0937 -208.875 57.85 -50.8988 -21.1835 -18.1337 410.358 PRESSAVG: 1942800 50.8965 -13.9417 -74.358 -13.9418 -55.6871 4.92849 -74.358 4.92855 54.521 GPRESSAVG: 1942800 51.6949 -15.024 -73.3059 -11.2805 -57.8342 6.95337 -75.7285 5.57507 55.2885 TIMING: 1942800 CPU: 5780.85, 0.00298212/step Wall: 5780.85, 0.00298212/step, 2.53249 hours remaining, 206.886719 MB of memory in use. ENERGY: 1942800 732.5537 2112.3597 1949.1962 108.6152 -205991.0430 17974.5470 0.0000 0.0000 34267.9653 -148845.8059 299.2707 -183113.7713 -148748.5501 300.6042 202.8313 235.0063 556859.0809 16.5768 16.3830 PRESSURE: 1943000 -285.198 101.183 -43.9726 101.183 -140.593 -85.9718 -43.9744 -85.9723 -30.2775 GPRESSURE: 1943000 -246.79 53.3852 -30.4411 125.375 -123.734 -73.0737 -2.22983 -100.137 -3.16567 PRESSAVG: 1943000 -66.8283 34.6775 -41.7429 34.6774 -66.7719 -23.6076 -41.7429 -23.6076 44.9499 GPRESSAVG: 1943000 -66.2623 34.0227 -45.2123 33.9415 -66.3846 -23.7707 -39.675 -23.7101 43.9367 TIMING: 1943000 CPU: 5781.45, 0.00298964/step Wall: 5781.45, 0.00298964/step, 2.5387 hours remaining, 206.886719 MB of memory in use. ENERGY: 1943000 737.7193 2075.2336 1945.5536 107.7448 -205462.8164 17448.5510 0.0000 0.0000 34433.6731 -148714.3410 300.7178 -183148.0141 -148612.7410 299.7803 -152.0229 -124.5632 560743.5784 -29.5501 -29.5701 PRESSURE: 1943200 171.111 -111.974 26.7625 -111.973 -33.1037 209.874 26.7626 209.874 -73.7986 GPRESSURE: 1943200 233.452 -104.619 45.1158 -158.886 -72.7271 162.88 -33.4915 150.035 -11.5938 PRESSAVG: 1943200 -2.788 -9.86151 -37.1777 -9.86147 -47.3075 -38.7774 -37.1777 -38.7775 27.3478 GPRESSAVG: 1943200 -3.531 -7.26919 -35.7466 -10.6472 -47.125 -40.2784 -38.6936 -37.7054 27.668 TIMING: 1943200 CPU: 5782.05, 0.00297815/step Wall: 5782.05, 0.00297815/step, 2.52878 hours remaining, 206.886719 MB of memory in use. ENERGY: 1943200 763.7096 2099.9560 1935.9812 120.1585 -205572.0476 17685.0666 0.0000 0.0000 34381.4544 -148585.7211 300.2618 -182967.1755 -148488.0686 300.7927 21.4027 49.7102 559478.8425 -7.5826 -7.6627 PRESSURE: 1943400 -39.6294 -130.243 -78.6452 -130.243 -235.361 58.6359 -78.6453 58.636 173.094 GPRESSURE: 1943400 65.1306 -61.668 -75.0648 -214.086 -180.331 -18.9869 -112.777 -22.5097 118.931 PRESSAVG: 1943400 49.8172 -51.0069 -12.7453 -51.007 -23.9362 29.996 -12.7453 29.9959 -17.4304 GPRESSAVG: 1943400 48.2016 -52.4114 -13.8246 -51.1002 -23.8032 30.2591 -11.4233 27.8262 -15.8467 TIMING: 1943400 CPU: 5782.64, 0.00298047/step Wall: 5782.64, 0.00298047/step, 2.53059 hours remaining, 206.886719 MB of memory in use. ENERGY: 1943400 745.1603 2146.4956 1944.3329 122.9151 -205799.2006 17830.8523 0.0000 0.0000 34367.2258 -148642.2185 300.1375 -183009.4443 -148540.3384 301.2648 -33.9655 1.2434 560169.2237 2.8169 2.8506 PRESSURE: 1943600 68.6423 -112.197 146.757 -112.197 71.2928 -28.0956 146.756 -28.0959 35.0518 GPRESSURE: 1943600 156.61 -124.432 242.214 -129.019 70.3386 62.3261 127.419 -61.4532 43.2413 PRESSAVG: 1943600 -30.7619 -78.8678 36.2567 -78.8678 -8.03052 15.216 36.2565 15.216 19.8458 GPRESSAVG: 1943600 -30.0741 -80.0615 38.481 -77.1736 -8.03978 15.7234 36.9447 15.0927 19.108 TIMING: 1943600 CPU: 5783.24, 0.00296937/step Wall: 5783.24, 0.00296937/step, 2.521 hours remaining, 206.886719 MB of memory in use. ENERGY: 1943600 773.7809 2060.6084 1935.7861 110.9418 -205871.4801 17928.6847 0.0000 0.0000 34433.4340 -148628.2441 300.7157 -183061.6781 -148528.6789 300.9303 58.3289 90.0634 559834.2586 -6.3155 -6.3353 PRESSURE: 1943800 -262.016 -73.6309 -34.5224 -73.631 -31.2982 -4.85474 -34.5229 -4.85527 -97.9876 GPRESSURE: 1943800 -202.282 -31.2512 25.3318 -13.8636 36.3875 -59.3197 -3.34228 -28.1223 -126.391 PRESSAVG: 1943800 34.1923 -89.4468 71.917 -89.4468 -25.8095 26.4252 71.9169 26.4253 -5.72353 GPRESSAVG: 1943800 32.607 -88.6751 72.2013 -90.5261 -24.8644 27.4156 70.0922 25.5563 -5.70475 TIMING: 1943800 CPU: 5783.83, 0.00297568/step Wall: 5783.83, 0.00297568/step, 2.52619 hours remaining, 206.886719 MB of memory in use. ENERGY: 1943800 740.8909 2116.1882 1936.8366 114.6527 -205625.2817 17665.1350 0.0000 0.0000 34378.0870 -148673.4914 300.2324 -183051.5784 -148571.5300 300.7982 -130.4338 -97.4285 560455.1400 0.8864 0.6793 PRESSURE: 1944000 -281.599 -50.1959 14.5491 -50.1962 60.901 -147.898 14.5485 -147.896 -267.39 GPRESSURE: 1944000 -228.88 -60.5546 -15.8306 -5.6671 55.9161 -220.952 15.537 -58.1158 -219.818 PRESSAVG: 1944000 47.7352 -66.6685 42.1278 -66.6686 62.0884 -23.7389 42.1278 -23.739 -115.454 GPRESSAVG: 1944000 47.764 -64.3817 41.6189 -67.3018 61.6466 -26.5414 42.3097 -20.6651 -115.453 TIMING: 1944000 CPU: 5784.43, 0.00299356/step Wall: 5784.43, 0.00299356/step, 2.5412 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: 1944000 750.8691 2071.4001 1933.4821 112.8121 -205606.3628 17648.6888 0.0000 0.0000 34483.0097 -148606.1009 301.1487 -183089.1106 -148505.0083 300.4963 -162.6959 -130.9275 561175.1727 -1.8769 -2.0140 PRESSURE: 1944200 113.689 -19.1865 76.7805 -19.1871 12.8089 138.676 76.7802 138.675 -311.564 GPRESSURE: 1944200 149.263 -37.1917 50.5126 -16.3639 66.3581 210.896 127.283 19.5126 -299.047 PRESSAVG: 1944200 48.2735 0.365069 13.9623 0.365113 72.3396 -12.4204 13.9625 -12.4204 -115.987 GPRESSAVG: 1944200 47.687 -1.07168 12.9299 0.39263 72.3228 -10.5199 13.881 -14.1553 -115.511 TIMING: 1944200 CPU: 5785.03, 0.00298786/step Wall: 5785.03, 0.00298786/step, 2.53619 hours remaining, 206.886719 MB of memory in use. ENERGY: 1944200 763.0825 2085.3684 1959.5660 117.2144 -205834.0102 17956.0553 0.0000 0.0000 34307.9457 -148644.7780 299.6198 -182952.7237 -148551.6167 300.6353 -61.6886 -27.8088 561013.3062 1.5419 1.4997 LDB: ============= START OF LOAD BALANCING ============== 5788.46 LDB: ============== END OF LOAD BALANCING =============== 5788.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5788.46 LDB: ============= START OF LOAD BALANCING ============== 5788.76 LDB: Largest compute 4821 load 0.025714 is 21.8% of average load 0.118052 LDB: Average compute 0.001723 is 1.5% of average load 0.118052 LDB: TIME 5788.76 LOAD: AVG 0.118052 MAX 0.197137 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.816 MB LDB: TIME 5788.76 LOAD: AVG 0.118052 MAX 0.197137 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.82 MB LDB: TIME 5788.76 LOAD: AVG 0.118052 MAX 0.197137 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.82 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5788.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5788.77 PRESSURE: 1944400 -132.738 -72.6506 5.9815 -72.6488 81.9408 -63.0332 5.97979 -63.0334 97.6209 GPRESSURE: 1944400 -69.8505 -75.2129 62.2083 -90.9379 85.5613 -125.908 -13.5606 -37.8841 134.294 PRESSAVG: 1944400 31.7745 -12.402 33.3193 -12.402 45.8477 -34.7085 33.3192 -34.7086 -41.9747 GPRESSAVG: 1944400 32.5327 -13.8788 32.6033 -11.8792 44.7382 -35.9897 33.7621 -34.6875 -42.0211 TIMING: 1944400 CPU: 5785.64, 0.00304661/step Wall: 5785.64, 0.00304661/step, 2.58589 hours remaining, 206.687500 MB of memory in use. ENERGY: 1944400 724.8453 2082.5989 1945.3903 128.3014 -205710.3649 17706.5926 0.0000 0.0000 34379.1582 -148743.4782 300.2417 -183122.6364 -148646.7682 300.1349 15.6080 50.0016 559496.3692 11.8825 11.7499 PRESSURE: 1944600 -132.028 149.624 -191.639 149.625 -25.3521 177.166 -191.639 177.168 -10.9085 GPRESSURE: 1944600 -119.03 73.4265 -247.785 102.632 5.51573 155.817 -147.98 141.024 31.4686 PRESSAVG: 1944600 3.54811 -3.44375 -28.9679 -3.4437 -35.4207 74.3984 -28.9679 74.3985 15.4891 GPRESSAVG: 1944600 2.61187 -1.73281 -28.5821 -5.43806 -35.5548 74.2925 -29.372 74.3613 16.1216 TIMING: 1944600 CPU: 5786.23, 0.00297215/step Wall: 5786.23, 0.00297215/step, 2.52253 hours remaining, 206.757812 MB of memory in use. ENERGY: 1944600 771.0729 2050.4387 1960.7939 100.0896 -205844.2657 17786.2541 0.0000 0.0000 34519.1395 -148656.4771 301.4642 -183175.6166 -148556.0172 300.4875 -56.0964 -27.3485 559206.8474 -5.4611 -5.6071 PRESSURE: 1944800 194.417 -109.519 -6.91226 -109.52 -40.5333 -79.0005 -6.91276 -79.0021 111.003 GPRESSURE: 1944800 224.529 -107.655 -99.8883 -134.156 40.2033 -88.3354 15.5678 19.5632 106.02 PRESSAVG: 1944800 31.0937 -16.1465 -55.6833 -16.1465 -11.2212 -26.5023 -55.6831 -26.5023 -3.34358 GPRESSAVG: 1944800 32.3602 -15.1685 -56.155 -16.0112 -11.4636 -25.1551 -54.71 -27.0689 -4.57077 TIMING: 1944800 CPU: 5786.83, 0.00299869/step Wall: 5786.83, 0.00299869/step, 2.54489 hours remaining, 206.757812 MB of memory in use. ENERGY: 1944800 743.6994 2087.5813 1929.4325 125.5176 -205954.7716 18128.8235 0.0000 0.0000 34212.2107 -148727.5066 298.7837 -182939.7173 -148632.8244 300.4730 88.2955 123.5838 559295.9672 5.5096 5.4419 PRESSURE: 1945000 31.023 81.4852 -171.74 81.4849 -290.498 -49.341 -171.74 -49.3395 -237.945 GPRESSURE: 1945000 37.2144 71.6247 -184.649 39.1796 -291.375 -109.649 -177.501 4.7511 -150.274 PRESSAVG: 1945000 84.2294 5.56703 32.9961 5.56708 -119.829 1.17552 32.9961 1.1755 19.1174 GPRESSAVG: 1945000 82.983 2.32455 34.2101 7.55343 -119.106 1.72347 31.3939 1.66972 20.2009 TIMING: 1945000 CPU: 5787.43, 0.00298616/step Wall: 5787.43, 0.00298616/step, 2.53408 hours remaining, 206.757812 MB of memory in use. ENERGY: 1945000 730.4305 2091.9767 1920.5044 108.6108 -205628.8833 17495.4486 0.0000 0.0000 34443.6809 -148838.2315 300.8052 -183281.9124 -148744.6073 300.3914 -165.8067 -134.8114 558454.0608 -5.4941 -5.3075 PRESSURE: 1945200 -47.1193 -41.5795 72.2389 -41.5798 -35.0677 41.0233 72.2402 41.0239 76.1438 GPRESSURE: 1945200 -42.3357 -63.1155 143.278 -14.3616 21.9671 49.1409 31.5706 73.1945 116.667 PRESSAVG: 1945200 46.4935 23.1015 8.13661 23.1015 -30.2047 39.3518 8.13669 39.3518 -25.4493 GPRESSAVG: 1945200 46.4085 25.9338 6.37174 21.3449 -30.3537 38.8137 10.9989 39.5234 -26.0742 TIMING: 1945200 CPU: 5788.03, 0.00299437/step Wall: 5788.03, 0.00299437/step, 2.54089 hours remaining, 206.757812 MB of memory in use. ENERGY: 1945200 713.3142 2061.4753 1964.0289 112.1656 -205740.1519 17558.5743 0.0000 0.0000 34342.6868 -148987.9067 299.9232 -183330.5935 -148899.6070 300.9130 -2.0144 32.0995 556731.9847 -3.0535 -3.3398 PRESSURE: 1945400 358.096 23.5654 -27.4522 23.5664 200.003 48.4948 -27.4515 48.4955 202.232 GPRESSURE: 1945400 364.685 56.2369 -31.0541 -7.54302 244.183 -34.4199 1.36566 56.2932 249.368 PRESSAVG: 1945400 29.8172 30.209 5.90908 30.2089 -48.0433 5.40033 5.90912 5.40033 16.9978 GPRESSAVG: 1945400 30.3906 28.7524 5.79553 32.5148 -48.3284 4.87479 4.59348 6.53073 16.9852 TIMING: 1945400 CPU: 5788.63, 0.00299097/step Wall: 5788.63, 0.00299097/step, 2.53784 hours remaining, 206.757812 MB of memory in use. ENERGY: 1945400 698.9436 2032.7547 1929.2921 122.8686 -205983.6763 17881.0897 0.0000 0.0000 34343.3125 -148975.4152 299.9287 -183318.7277 -148878.3490 300.0174 253.4440 286.0788 555872.9457 -0.4094 -0.3175 PRESSURE: 1945600 -235.664 36.1493 -24.3466 36.1506 -112.628 -24.4819 -24.3477 -24.4826 82.344 GPRESSURE: 1945600 -182.537 105.74 -47.7734 -6.14946 -99.6908 -5.41941 -43.694 -36.7803 107.483 PRESSAVG: 1945600 -52.6223 9.19183 2.85544 9.19186 -58.7677 30.1982 2.85542 30.1983 110.305 GPRESSAVG: 1945600 -52.9417 8.47882 3.92141 8.7418 -58.1416 29.0842 1.53522 30.1025 110.449 TIMING: 1945600 CPU: 5789.22, 0.00296597/step Wall: 5789.22, 0.00296597/step, 2.51646 hours remaining, 206.757812 MB of memory in use. ENERGY: 1945600 732.9435 2097.0557 1926.7753 117.1363 -205661.2779 17498.8342 0.0000 0.0000 34272.4431 -149016.0898 299.3098 -183288.5328 -148916.8898 299.8167 -88.6492 -58.2484 556435.3519 -0.3618 -0.2114 PRESSURE: 1945800 -382.743 -93.7157 -151.391 -93.716 -4.27899 3.11042 -151.392 3.10927 -13.6946 GPRESSURE: 1945800 -357.289 -22.64 -196.289 -89.3731 17.905 -13.7385 -72.1707 -18.9531 43.265 PRESSAVG: 1945800 -81.5683 -26.8007 -13.4228 -26.8006 -4.26631 57.4346 -13.4228 57.4345 49.747 GPRESSAVG: 1945800 -81.5715 -24.3021 -12.7004 -27.534 -4.21542 56.1052 -13.9072 57.3649 49.8277 TIMING: 1945800 CPU: 5789.81, 0.00297528/step Wall: 5789.81, 0.00297528/step, 2.5242 hours remaining, 206.757812 MB of memory in use. ENERGY: 1945800 775.6671 2075.2277 1938.3362 107.4047 -205842.0792 17611.4692 0.0000 0.0000 34221.5901 -149112.3843 298.8657 -183333.9744 -149011.7800 299.9584 -133.5723 -98.7063 556161.4610 -12.0292 -11.9864 PRESSURE: 1946000 -19.3314 -228.888 -160.969 -228.89 -185.59 -43.612 -160.969 -43.6114 11.4999 GPRESSURE: 1946000 56.0528 -86.6807 -123.164 -251.883 -201.64 -24.0026 -194.142 -48.1138 45.722 PRESSAVG: 1946000 58.4913 10.2467 19.8101 10.2466 -84.9249 -5.56867 19.8101 -5.56875 35.0168 GPRESSAVG: 1946000 60.0625 9.28971 18.6696 10.6213 -86.7903 -6.10331 19.3346 -5.98262 35.395 TIMING: 1946000 CPU: 5790.41, 0.00298862/step Wall: 5790.41, 0.00298862/step, 2.53535 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: 1946000 754.4266 2126.0056 1956.3743 101.8441 -205963.8026 17596.6584 0.0000 0.0000 34330.8633 -149097.6302 299.8200 -183428.4936 -149011.8814 299.6947 -64.4740 -33.2885 557345.3862 2.8611 2.8891 PRESSURE: 1946200 -52.9413 128.536 68.0137 128.535 50.5796 -79.4316 68.0146 -79.4299 49.245 GPRESSURE: 1946200 -5.4636 80.6278 35.6295 170.358 72.9343 -100.444 73.8978 -69.7132 70.3202 PRESSAVG: 1946200 7.41668 23.7354 -88.6102 23.7353 21.0987 -20.6018 -88.6102 -20.6017 -52.9852 GPRESSAVG: 1946200 6.44476 24.877 -88.1153 22.3821 22.3646 -18.7126 -88.1816 -21.6043 -53.5204 TIMING: 1946200 CPU: 5791.01, 0.0029992/step Wall: 5791.01, 0.0029992/step, 2.54415 hours remaining, 206.757812 MB of memory in use. ENERGY: 1946200 729.9032 2143.7127 1948.6145 119.8880 -206213.4843 17799.5249 0.0000 0.0000 34358.2846 -149113.5565 300.0594 -183471.8411 -149026.4342 298.9533 15.6278 45.9303 557105.8275 -8.1566 -8.2370 PRESSURE: 1946400 0.005356 31.2317 -12.0046 31.2311 -123.252 -65.5762 -12.0058 -65.5757 -147.196 GPRESSURE: 1946400 -2.38017 18.8813 58.8633 25.4882 -48.0793 -81.4213 -93.298 -59.5379 -124.184 PRESSAVG: 1946400 45.1502 34.3711 -16.9328 34.3712 17.3263 6.93251 -16.9329 6.93254 -18.9017 GPRESSAVG: 1946400 44.7255 33.0662 -17.7545 34.5448 17.8617 7.40451 -14.483 6.08772 -19.1757 TIMING: 1946400 CPU: 5791.61, 0.00298397/step Wall: 5791.61, 0.00298397/step, 2.53107 hours remaining, 206.757812 MB of memory in use. ENERGY: 1946400 736.6223 2091.6486 1932.7293 108.0914 -206270.1414 17710.1987 0.0000 0.0000 34415.7090 -149275.1420 300.5609 -183690.8510 -149165.6221 300.0149 -90.1475 -58.2145 557335.7450 14.5249 14.4705 PRESSURE: 1946600 -27.8806 -67.2623 -149.292 -67.2604 -15.1224 2.34247 -149.292 2.34304 24.2101 GPRESSURE: 1946600 17.9734 -112.023 -66.9329 -123.595 -19.9432 -53.7602 -69.4996 -20.0236 91.4436 PRESSAVG: 1946600 9.65479 -35.3929 -32.3491 -35.3929 -6.3908 45.8198 -32.349 45.8197 -22.6329 GPRESSAVG: 1946600 9.86055 -34.2397 -31.5036 -36.1551 -7.22382 46.1444 -34.2756 45.7061 -21.6431 TIMING: 1946600 CPU: 5792.2, 0.00297686/step Wall: 5792.2, 0.00297686/step, 2.52487 hours remaining, 206.757812 MB of memory in use. ENERGY: 1946600 754.4976 2098.1637 1935.3164 108.0539 -206067.5355 17806.8682 0.0000 0.0000 34243.8378 -149120.7978 299.0600 -183364.6356 -149027.3433 299.0037 -6.2643 29.8246 556777.1252 -6.4563 -6.3355 PRESSURE: 1946800 -126.932 123.905 -49.2306 123.904 46.4319 23.4725 -49.2299 23.4742 -120.044 GPRESSURE: 1946800 -130.152 127.972 -87.6988 151.572 100.584 13.7635 -30.2711 -38.9018 -89.6204 PRESSAVG: 1946800 8.03439 47.482 -5.82812 47.4822 -26.552 22.0281 -5.8281 22.0282 10.736 GPRESSAVG: 1946800 8.33221 46.6874 -5.85928 46.656 -26.3267 20.5109 -5.36214 22.5205 10.8441 TIMING: 1946800 CPU: 5792.8, 0.00298324/step Wall: 5792.8, 0.00298324/step, 2.53012 hours remaining, 206.757812 MB of memory in use. ENERGY: 1946800 741.5878 2066.7809 1954.2575 108.1861 -206130.7798 17824.7983 0.0000 0.0000 34373.6287 -149061.5404 300.1934 -183435.1691 -148964.2844 299.5042 -66.8479 -39.7293 558068.4370 -2.5938 -2.3835 PRESSURE: 1947000 -35.5377 -6.29401 44.8864 -6.29296 153.425 118.463 44.8869 118.464 72.4606 GPRESSURE: 1947000 59.4519 29.8013 45.9979 -26.4921 178.956 82.0574 48.4932 144.062 49.3719 PRESSAVG: 1947000 21.6561 62.1104 -26.3079 62.1104 0.600733 45.3679 -26.3078 45.3679 0.429487 GPRESSAVG: 1947000 21.5744 60.9938 -27.6962 64.6873 0.62864 45.5681 -26.6755 46.2612 0.276433 TIMING: 1947000 CPU: 5793.39, 0.00295648/step Wall: 5793.39, 0.00295648/step, 2.50726 hours remaining, 206.757812 MB of memory in use. ENERGY: 1947000 744.4034 2090.2334 1943.2440 121.1591 -206101.9009 17808.0862 0.0000 0.0000 34289.5481 -149105.2268 299.4592 -183394.7749 -149003.1777 300.1255 63.4495 95.9267 557819.4745 7.5621 7.4932 PRESSURE: 1947200 -279.212 -50.8563 -34.5396 -50.8559 -346.399 98.1773 -34.5382 98.1772 -119.718 GPRESSURE: 1947200 -277.455 -43.0216 -55.1238 -31.1662 -290.797 -8.88772 2.37922 67.2808 -82.4108 PRESSAVG: 1947200 -5.54733 0.68607 -50.7875 0.686009 -14.9599 35.47 -50.7876 35.4701 -19.1023 GPRESSAVG: 1947200 -5.21931 0.837327 -49.8499 -0.684905 -15.988 37.9918 -52.0614 33.7116 -18.5831 TIMING: 1947200 CPU: 5793.99, 0.00297429/step Wall: 5793.99, 0.00297429/step, 2.52219 hours remaining, 206.757812 MB of memory in use. ENERGY: 1947200 766.0374 2107.1739 1905.3633 129.0016 -205702.0558 17438.9257 0.0000 0.0000 34416.6419 -148938.9120 300.5691 -183355.5539 -148843.4601 299.8810 -248.4430 -216.8877 558919.8422 -13.2032 -13.2635 PRESSURE: 1947400 -290.841 123.669 87.6536 123.668 -127.591 -79.7888 87.6548 -79.7895 76.7912 GPRESSURE: 1947400 -205.129 72.9136 35.9836 98.4842 -115.385 -149.853 114.046 -15.5709 67.6555 PRESSAVG: 1947400 67.6618 4.14927 -29.2323 4.14922 -39.7219 -20.4579 -29.2323 -20.4581 -21.7792 GPRESSAVG: 1947400 66.0436 4.54979 -28.8459 4.05596 -37.9672 -21.7914 -27.3537 -19.5449 -22.4562 TIMING: 1947400 CPU: 5794.59, 0.00300824/step Wall: 5794.59, 0.00300824/step, 2.55082 hours remaining, 206.757812 MB of memory in use. ENERGY: 1947400 717.7431 2141.8028 1951.2477 102.9814 -205735.7049 17614.6986 0.0000 0.0000 34129.7930 -149077.4383 298.0640 -183207.2314 -148979.8436 300.2251 -113.8801 -84.2861 559223.3058 2.0536 1.8734 PRESSURE: 1947600 -1.39186 5.67114 -149.249 5.67115 -159.351 -14.0281 -149.248 -14.0261 206.42 GPRESSURE: 1947600 0.864605 -66.2592 -166.489 -28.6684 -83.5501 3.2851 -183.718 31.7866 210.054 PRESSAVG: 1947600 -12.5781 10.8143 -66.6854 10.8143 -19.9651 -2.90974 -66.6853 -2.90968 -1.94428 GPRESSAVG: 1947600 -11.8762 10.3681 -66.9786 12.1742 -20.2262 -3.12464 -67.7985 -2.94938 -3.23879 TIMING: 1947600 CPU: 5795.19, 0.00299476/step Wall: 5795.19, 0.00299476/step, 2.53922 hours remaining, 206.757812 MB of memory in use. ENERGY: 1947600 754.6015 2076.9602 1930.7934 105.5084 -206147.6681 17841.8842 0.0000 0.0000 34398.1840 -149039.7364 300.4079 -183437.9204 -148946.8310 298.9752 15.2256 42.4562 556803.9417 -11.4958 -11.7804 PRESSURE: 1947800 109.445 107.024 41.5289 107.023 207.953 -55.794 41.5295 -55.7937 -15.4751 GPRESSURE: 1947800 161.417 22.492 86.2083 116.366 202.093 -74.2097 15.2034 -42.2401 29.6906 PRESSAVG: 1947800 -21.0329 -6.96987 -41.3542 -6.96984 35.8911 -37.9772 -41.3543 -37.9772 2.65624 GPRESSAVG: 1947800 -21.6072 -8.93194 -41.3584 -7.23533 35.1764 -37.388 -39.6788 -38.1072 3.45552 TIMING: 1947800 CPU: 5795.78, 0.00298731/step Wall: 5795.78, 0.0029873/step, 2.53274 hours remaining, 206.757812 MB of memory in use. ENERGY: 1947800 776.9840 2092.5710 1938.9475 115.3034 -206037.4099 17959.4547 0.0000 0.0000 34357.0138 -148797.1353 300.0483 -183154.1492 -148699.4479 300.2837 100.6408 131.0670 557004.4335 5.8381 5.6749 PRESSURE: 1948000 43.6701 74.8968 99.9828 74.8952 -148.377 -73.3211 99.9809 -73.3236 70.7409 GPRESSURE: 1948000 21.6613 181.513 161.816 10.2245 -135.235 25.8047 48.0003 -163.105 179.101 PRESSAVG: 1948000 25.3266 -0.0364983 -25.6569 -0.0364677 31.2529 -20.3157 -25.6568 -20.3155 -50.5893 GPRESSAVG: 1948000 25.1242 2.43946 -24.5286 -0.678433 31.0049 -18.8177 -27.8495 -21.2283 -50.1446 TIMING: 1948000 CPU: 5796.39, 0.0030027/step Wall: 5796.39, 0.0030027/step, 2.54562 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: 1948000 761.8346 2131.4465 1955.0880 114.3570 -205636.1905 17555.7296 0.0000 0.0000 34389.0126 -148728.7223 300.3278 -183117.7349 -148633.4173 300.8304 -11.3219 21.8425 557125.5829 1.9967 1.9948 PRESSURE: 1948200 10.9954 -102.913 -126.069 -102.912 -107.836 78.9734 -126.069 78.9729 -306.651 GPRESSURE: 1948200 49.5045 -60.848 -128.101 -101.598 -107.56 102.837 -91.1395 65.447 -246.069 PRESSAVG: 1948200 23.9008 54.8039 6.63443 54.804 15.1482 17.7762 6.63446 17.7762 -13.952 GPRESSAVG: 1948200 23.6245 53.5058 4.64597 55.0919 15.5582 17.2299 7.85554 18.6417 -14.6249 TIMING: 1948200 CPU: 5796.98, 0.00298551/step Wall: 5796.98, 0.00298551/step, 2.53088 hours remaining, 206.757812 MB of memory in use. ENERGY: 1948200 744.7778 2128.3145 1941.6299 106.6356 -205590.4844 17581.7547 0.0000 0.0000 34370.7456 -148716.6263 300.1683 -183087.3719 -148621.1248 300.6859 -134.4972 -101.3749 558713.8466 8.3657 8.1859 LDB: ============= START OF LOAD BALANCING ============== 5800.41 LDB: ============== END OF LOAD BALANCING =============== 5800.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5800.42 LDB: ============= START OF LOAD BALANCING ============== 5800.72 LDB: Largest compute 4821 load 0.024582 is 20.8% of average load 0.118056 LDB: Average compute 0.001720 is 1.5% of average load 0.118056 LDB: TIME 5800.72 LOAD: AVG 0.118056 MAX 0.200571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 5800.72 LOAD: AVG 0.118056 MAX 0.200571 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.449 MB LDB: TIME 5800.72 LOAD: AVG 0.118056 MAX 0.200571 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.449 MB LDB: ============== END OF LOAD BALANCING =============== 5800.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5800.73 PRESSURE: 1948400 -168.103 68.225 -34.4508 68.2246 292.244 338.269 -34.4514 338.271 -42.5305 GPRESSURE: 1948400 -95.3087 -40.8343 7.92968 124.016 333.179 322.653 -38.0608 277.271 -49.1884 PRESSAVG: 1948400 -10.8166 33.6334 19.4413 33.6334 49.2819 43.5994 19.4414 43.5994 -10.1931 GPRESSAVG: 1948400 -10.359 33.4933 17.9087 34.6951 48.5111 43.0152 19.9056 43.4503 -9.94151 TIMING: 1948400 CPU: 5797.6, 0.00306958/step Wall: 5797.6, 0.00306958/step, 2.60198 hours remaining, 206.250000 MB of memory in use. ENERGY: 1948400 738.3633 2104.9761 1929.9520 119.7937 -205709.2411 17668.6801 0.0000 0.0000 34336.0220 -148811.4540 299.8650 -183147.4759 -148709.2049 300.7529 27.2035 62.8941 557729.1475 9.4241 9.4035 PRESSURE: 1948600 93.9841 -59.7781 80.0832 -59.7775 9.65764 -156.893 80.0826 -156.894 -119.745 GPRESSURE: 1948600 97.1738 -44.266 10.4451 -21.2536 53.0165 -103.82 97.1331 -133.06 -61.8592 PRESSAVG: 1948600 13.5206 -14.9292 -5.03274 -14.9292 36.7316 0.292217 -5.0327 0.292165 -38.2646 GPRESSAVG: 1948600 13.0818 -12.5201 -3.60729 -16.6439 37.2205 0.512813 -4.38985 0.636705 -38.4075 TIMING: 1948600 CPU: 5798.2, 0.00300439/step Wall: 5798.2, 0.00300439/step, 2.54656 hours remaining, 206.710938 MB of memory in use. ENERGY: 1948600 743.9507 2098.6182 1961.8762 113.0580 -206039.0794 17838.1119 0.0000 0.0000 34470.4363 -148813.0281 301.0389 -183283.4644 -148712.7131 299.6138 -5.3677 29.4437 557812.1575 3.9958 3.9649 PRESSURE: 1948800 109.914 -49.1481 -167.438 -49.1476 150.718 84.042 -167.438 84.0413 199.93 GPRESSURE: 1948800 104.521 -23.7459 -208.342 -24.0952 204.545 91.7442 -100.437 65.5023 251.363 PRESSAVG: 1948800 -29.9766 -27.1414 -25.2719 -27.1413 59.0368 -9.13748 -25.2719 -9.13751 -12.1133 GPRESSAVG: 1948800 -30.2655 -27.9967 -25.9443 -26.4146 58.9477 -9.84921 -26.3088 -10.0347 -11.6333 TIMING: 1948800 CPU: 5798.8, 0.00303434/step Wall: 5798.8, 0.00303434/step, 2.57178 hours remaining, 206.710938 MB of memory in use. ENERGY: 1948800 762.7407 2030.8688 1929.9853 124.7349 -206073.4366 17910.4825 0.0000 0.0000 34276.3296 -149038.2949 299.3437 -183314.6245 -148944.0842 299.7970 153.5208 186.8094 557060.3438 5.6490 5.6830 PRESSURE: 1949000 -345.128 29.2635 29.7749 29.2625 85.6179 -61.4253 29.7739 -61.4253 -322.534 GPRESSURE: 1949000 -268.702 0.928041 40.6549 -3.35992 96.9692 10.5624 -70.9487 -137.252 -294.947 PRESSAVG: 1949000 -62.691 17.8327 -37.0169 17.8327 17.8434 5.34416 -37.0169 5.34406 27.0804 GPRESSAVG: 1949000 -63.2445 18.9295 -37.4921 16.458 17.2377 4.86154 -36.9808 3.98435 28.2903 TIMING: 1949000 CPU: 5799.4, 0.00299532/step Wall: 5799.4, 0.00299532/step, 2.53854 hours remaining, 206.710938 MB of memory in use. ENERGY: 1949000 786.5720 2103.4974 1933.2182 116.9337 -205811.5171 17589.6021 0.0000 0.0000 34313.6067 -148968.0871 299.6693 -183281.6938 -148874.9719 299.5714 -194.0147 -155.5599 558121.7267 -5.9224 -5.9055 PRESSURE: 1949200 115.153 144.663 86.0428 144.665 174.075 79.8716 86.0434 79.8704 36.9137 GPRESSURE: 1949200 113.706 133.454 139.095 195.752 267.243 65.79 21.1273 146.941 39.8125 PRESSAVG: 1949200 -70.5075 28.3404 -73.1584 28.3405 45.4649 47.1406 -73.1584 47.1407 67.0413 GPRESSAVG: 1949200 -69.9519 27.2094 -71.5909 29.1691 45.0052 49.6478 -73.6975 48.7444 67.4311 TIMING: 1949200 CPU: 5800, 0.00297659/step Wall: 5800, 0.00297659/step, 2.52249 hours remaining, 206.710938 MB of memory in use. ENERGY: 1949200 774.8864 2196.6892 1955.3504 110.4996 -206340.8097 17995.5937 0.0000 0.0000 34452.5254 -148855.2650 300.8825 -183307.7904 -148763.0194 300.4527 108.7141 140.2536 556784.4871 13.9996 14.1615 PRESSURE: 1949400 -125.475 -103.344 -32.85 -103.344 -64.8767 231.122 -32.8491 231.123 -198.649 GPRESSURE: 1949400 -88.6811 -82.1945 0.0536428 -114.158 -81.1681 220.215 -68.6797 266.436 -134.973 PRESSAVG: 1949400 5.93097 -2.63527 42.2953 -2.63535 3.7224 36.5726 42.2954 36.5726 -14.3386 GPRESSAVG: 1949400 4.94962 -2.57574 41.2829 -3.06471 5.20153 35.0453 42.1905 37.6435 -14.9362 TIMING: 1949400 CPU: 5800.59, 0.00298143/step Wall: 5800.59, 0.00298143/step, 2.52643 hours remaining, 206.777344 MB of memory in use. ENERGY: 1949400 774.5330 2118.4619 1920.1682 121.1207 -206132.3326 17674.5188 0.0000 0.0000 34610.0533 -148913.4768 302.2582 -183523.5301 -148814.1791 301.0939 -129.6670 -101.6073 557189.8452 -1.5617 -1.5950 PRESSURE: 1949600 -116.79 -110.376 83.7277 -110.377 -70.7371 297.584 83.727 297.583 212.645 GPRESSURE: 1949600 -138.533 -107.195 18.977 -110.609 25.809 342.958 123.308 200.434 235.094 PRESSAVG: 1949600 -25.0181 -20.4399 -4.47059 -20.4399 45.5534 23.2123 -4.47057 23.2123 -9.14331 GPRESSAVG: 1949600 -24.7463 -19.8674 -3.21288 -20.7128 45.9573 23.1343 -4.36371 21.9335 -10.1947 TIMING: 1949600 CPU: 5801.19, 0.00295961/step Wall: 5801.19, 0.00295961/step, 2.50777 hours remaining, 206.777344 MB of memory in use. ENERGY: 1949600 764.3763 2180.8990 1936.7260 102.5013 -206312.3997 17855.0010 0.0000 0.0000 34368.8642 -149104.0319 300.1518 -183472.8961 -149003.2913 299.8508 8.3725 40.7902 557384.3328 3.7973 3.6721 PRESSURE: 1949800 241.893 -113.813 21.4902 -113.813 -178.646 10.0052 21.4891 10.0061 -259.352 GPRESSURE: 1949800 200.305 -41.18 40.2793 -90.6607 -130.112 38.2948 54.2632 -5.15764 -172.46 PRESSAVG: 1949800 3.48133 -46.6139 -31.6346 -46.6138 3.09849 21.5873 -31.6347 21.5874 -12.9298 GPRESSAVG: 1949800 4.10003 -46.2926 -29.993 -45.2663 3.0393 21.1451 -32.7395 21.4246 -12.9928 TIMING: 1949800 CPU: 5801.78, 0.00297482/step Wall: 5801.78, 0.00297482/step, 2.5205 hours remaining, 206.777344 MB of memory in use. ENERGY: 1949800 767.1912 2100.4729 1926.2531 98.6125 -205673.6620 17527.5261 0.0000 0.0000 34281.8214 -148971.7850 299.3917 -183253.6064 -148873.3609 299.4148 -65.3685 -34.0891 557678.9359 -2.1166 -1.9512 PRESSURE: 1950000 38.0522 69.5026 14.9833 69.5046 -187.848 190.963 14.9827 190.963 -208.444 GPRESSURE: 1950000 57.4742 11.5161 -37.3065 114.992 -164.179 150.043 63.8591 212.051 -158.172 PRESSAVG: 1950000 67.2518 -8.39118 -1.89143 -8.39108 -20.4332 60.1066 -1.89146 60.1066 -16.4573 GPRESSAVG: 1950000 67.7352 -8.85748 -4.44417 -8.93655 -20.881 59.2608 1.85702 59.7661 -17.2757 TIMING: 1950000 CPU: 5802.38, 0.00298845/step Wall: 5802.38, 0.00298845/step, 2.53188 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: 1950000 794.1821 2073.7710 1941.1730 105.2503 -206303.6120 17852.2807 0.0000 0.0000 34491.0149 -149045.9400 301.2186 -183536.9549 -148955.8529 299.9647 -119.4131 -88.2922 558084.5052 10.1204 9.8595 PRESSURE: 1950200 104.078 105.36 85.1783 105.361 -43.2652 57.5463 85.1769 57.5455 -74.7495 GPRESSURE: 1950200 125.218 201.814 108.079 66.2111 6.50431 44.235 28.7821 32.9651 -57.6522 PRESSAVG: 1950200 -11.3402 -5.27468 32.9847 -5.27466 30.9112 62.0507 32.9846 62.0508 -3.27492 GPRESSAVG: 1950200 -11.7137 -6.51353 32.886 -4.69583 31.2221 63.8205 31.2552 62.0669 -3.24876 TIMING: 1950200 CPU: 5802.97, 0.00296835/step Wall: 5802.97, 0.00296835/step, 2.51469 hours remaining, 206.980469 MB of memory in use. ENERGY: 1950200 744.1160 2126.3539 1946.1782 103.3292 -205897.1235 17590.5958 0.0000 0.0000 34350.0586 -149036.4917 299.9876 -183386.5503 -148939.1519 299.8522 -4.6455 24.6901 558791.6625 5.4320 5.4199 PRESSURE: 1950400 -72.9686 28.4993 54.8652 28.4982 234.328 44.7064 54.8657 44.7087 13.4239 GPRESSURE: 1950400 -44.0013 75.3159 -25.4215 -82.1561 243.173 -21.6083 64.7997 82.1255 65.036 PRESSAVG: 1950400 17.4447 -9.25867 -7.31875 -9.25865 -1.01808 9.7948 -7.31872 9.79478 -22.0565 GPRESSAVG: 1950400 17.4609 -9.42263 -6.64314 -10.2028 -1.03571 10.3859 -9.04075 9.95325 -22.0643 TIMING: 1950400 CPU: 5803.57, 0.00296364/step Wall: 5803.57, 0.00296364/step, 2.51053 hours remaining, 206.980469 MB of memory in use. ENERGY: 1950400 737.4077 2110.4139 1941.0108 112.5453 -205970.4124 17847.2916 0.0000 0.0000 34297.6217 -148924.1214 299.5297 -183221.7431 -148830.9673 300.1776 58.2612 88.0692 558460.7638 -1.8766 -1.8797 PRESSURE: 1950600 -335.672 99.2643 -65.521 99.2638 -32.6161 -51.7052 -65.5208 -51.707 -54.4379 GPRESSURE: 1950600 -259.054 104.154 14.8138 65.0798 30.8005 -50.916 -94.3399 -128.972 -98.2015 PRESSAVG: 1950600 4.01698 28.7024 4.68478 28.7024 65.7872 50.2289 4.68473 50.229 -82.7673 GPRESSAVG: 1950600 2.54517 30.4004 4.96021 30.4004 66.4553 48.8978 8.16047 51.4234 -83.1622 TIMING: 1950600 CPU: 5804.16, 0.00295184/step Wall: 5804.16, 0.00295184/step, 2.50037 hours remaining, 206.980469 MB of memory in use. ENERGY: 1950600 794.6041 2096.7235 1937.3332 99.8064 -206154.8536 17793.5711 0.0000 0.0000 34512.3710 -148920.4443 301.4051 -183432.8153 -148823.6400 300.3287 -140.9087 -108.8182 557163.5820 -4.3210 -4.7206 PRESSURE: 1950800 99.4916 -25.458 -17.8301 -25.4583 -203.523 48.6705 -17.8307 48.6705 -173.325 GPRESSURE: 1950800 93.4555 48.3023 -57.3082 -34.0646 -173.218 78.6517 -31.0115 -57.9436 -107.371 PRESSAVG: 1950800 -71.9783 -6.64994 22.2481 -6.64992 24.877 22.0328 22.2481 22.0327 30.0454 GPRESSAVG: 1950800 -72.8893 -6.29441 21.7478 -7.21227 24.0532 23.1219 19.728 21.5413 31.1172 TIMING: 1950800 CPU: 5804.75, 0.00295451/step Wall: 5804.75, 0.00295451/step, 2.50247 hours remaining, 206.980469 MB of memory in use. ENERGY: 1950800 742.1102 2045.6221 1949.2354 116.7175 -206052.3731 17617.8780 0.0000 0.0000 34598.8778 -148981.9321 302.1606 -183580.8098 -148879.6417 300.2908 -92.4519 -62.3778 557145.4108 -5.6853 -5.9063 PRESSURE: 1951000 57.1491 86.2861 68.0204 86.2866 135.271 -30.8769 68.0194 -30.8782 108.093 GPRESSURE: 1951000 83.4532 178.935 51.2733 -20.289 175.167 -125.258 43.7551 28.5066 139.237 PRESSAVG: 1951000 -15.6749 39.6842 41.1867 39.6843 -18.5305 8.60573 41.1866 8.60572 52.8515 GPRESSAVG: 1951000 -14.6774 39.5698 41.0743 39.9469 -19.3717 6.47595 41.4458 10.259 52.4477 TIMING: 1951000 CPU: 5805.34, 0.00297272/step Wall: 5805.34, 0.00297272/step, 2.51773 hours remaining, 206.980469 MB of memory in use. ENERGY: 1951000 771.4996 2086.9429 1968.5805 107.0291 -206353.8315 18027.3787 0.0000 0.0000 34477.2794 -148915.1213 301.0987 -183392.4007 -148814.4042 300.2511 100.1709 132.6191 556765.9708 6.2154 6.1329 PRESSURE: 1951200 180.844 50.3896 110.492 50.391 -81.6516 156.396 110.493 156.395 -171.732 GPRESSURE: 1951200 197.179 -4.8453 94.1531 23.8564 -26.0775 176.072 110.48 194.935 -145.511 PRESSAVG: 1951200 -23.8432 94.4947 -10.1111 94.4947 75.4031 36.0195 -10.1111 36.0195 -90.8472 GPRESSAVG: 1951200 -24.0845 93.9885 -9.95007 95.1628 75.7237 36.9793 -9.97195 35.9283 -91.231 TIMING: 1951200 CPU: 5805.93, 0.00296692/step Wall: 5805.93, 0.00296692/step, 2.51265 hours remaining, 206.980469 MB of memory in use. ENERGY: 1951200 741.1153 2118.9400 1924.2855 102.0539 -205900.5697 17698.0381 0.0000 0.0000 34275.1243 -149041.0124 299.3332 -183316.1367 -148949.2189 300.0163 -24.1800 8.5301 557718.2848 -13.0958 -13.1973 PRESSURE: 1951400 94.9023 35.8551 -172.883 35.8529 77.5535 -122.462 -172.885 -122.461 -21.7261 GPRESSURE: 1951400 43.2496 130.82 -143.416 8.08163 159.44 -32.6041 -217.808 -123.807 51.6502 PRESSAVG: 1951400 57.4433 30.4832 -19.8516 30.4832 -1.75995 -1.02205 -19.8517 -1.02192 -62.9692 GPRESSAVG: 1951400 57.9543 28.9483 -21.0251 30.5404 -3.15007 -0.182951 -21.2472 -0.824677 -62.334 TIMING: 1951400 CPU: 5806.53, 0.00298508/step Wall: 5806.53, 0.00298508/step, 2.52787 hours remaining, 206.980469 MB of memory in use. ENERGY: 1951400 720.6886 2117.4728 1964.4193 105.2630 -206214.2245 17932.1284 0.0000 0.0000 34307.7545 -149066.4978 299.6182 -183374.2523 -148975.5715 298.6396 50.2432 84.7800 558472.6549 -2.4286 -2.5099 PRESSURE: 1951600 -158.267 12.39 99.9975 12.3895 -137.726 23.7746 99.9982 23.7737 254.537 GPRESSURE: 1951600 -139.273 33.3709 182.897 -54.3131 -75.6977 66.3287 105.836 41.327 262.102 PRESSAVG: 1951600 -16.1703 16.9961 0.447804 16.9961 -17.8589 -3.89233 0.447794 -3.89229 -1.55333 GPRESSAVG: 1951600 -16.8464 18.8851 -0.29475 17.2766 -16.8496 -2.40436 3.57487 -4.8223 -1.66424 TIMING: 1951600 CPU: 5807.13, 0.00297398/step Wall: 5807.13, 0.00297398/step, 2.5183 hours remaining, 206.980469 MB of memory in use. ENERGY: 1951600 720.6135 2068.7510 1965.7342 109.6331 -205767.5371 17680.6642 0.0000 0.0000 34413.1390 -148809.0022 300.5385 -183222.1412 -148709.0633 299.8578 -13.8186 15.7104 558654.4115 -11.8608 -11.7868 PRESSURE: 1951800 28.7812 -134.642 -76.8336 -134.642 150.449 23.7251 -76.8347 23.7246 -65.0042 GPRESSURE: 1951800 66.5618 -126.398 -131.669 -108.341 218.197 30.0833 -58.1845 52.0977 -73.027 PRESSAVG: 1951800 -18.5523 4.40005 4.30814 4.40004 -0.394344 -10.7299 4.30814 -10.7298 -14.0868 GPRESSAVG: 1951800 -18.4596 3.64013 5.75922 4.05922 -0.396557 -13.3297 2.74903 -10.8635 -14.7804 TIMING: 1951800 CPU: 5807.72, 0.00296473/step Wall: 5807.72, 0.00296473/step, 2.5103 hours remaining, 206.980469 MB of memory in use. ENERGY: 1951800 722.3008 2099.8831 1940.9989 106.6887 -206012.2650 17933.5474 0.0000 0.0000 34405.9153 -148802.9308 300.4754 -183208.8461 -148707.6754 300.4715 38.0755 70.5774 558451.7696 -11.0112 -11.2122 PRESSURE: 1952000 -141.803 -25.4491 -97.629 -25.4494 -141.742 -26.7839 -97.6289 -26.7828 -342.458 GPRESSURE: 1952000 -117.368 -51.3526 -138.783 40.8165 -104.837 -14.8159 -86.4483 9.65032 -301.527 PRESSAVG: 1952000 49.8093 2.37087 -8.05464 2.37083 -5.06417 10.3016 -8.05459 10.3017 -67.2597 GPRESSAVG: 1952000 49.8463 2.35162 -8.03968 2.82655 -5.32742 11.3707 -7.02413 9.93842 -67.6631 TIMING: 1952000 CPU: 5808.31, 0.00296121/step Wall: 5808.31, 0.00296121/step, 2.50715 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: 1952000 784.2243 2067.8839 1948.0496 104.8855 -205374.5957 17492.9514 0.0000 0.0000 34220.9555 -148755.6455 298.8601 -182976.6009 -148658.2054 300.0703 -208.6677 -174.5774 559241.7301 -7.5049 -7.7147 PRESSURE: 1952200 -241.664 -78.4203 -97.2758 -78.4196 -126.928 -52.9408 -97.2765 -52.9388 8.91623 GPRESSURE: 1952200 -191.384 -47.8151 -95.7368 -50.1965 -107.009 -35.1673 -132.848 -34.359 22.9406 PRESSAVG: 1952200 25.5623 -42.7774 -20.6533 -42.7774 -50.2382 -42.545 -20.6534 -42.5449 -18.3937 GPRESSAVG: 1952200 24.3954 -43.9757 -20.9179 -42.293 -49.3981 -42.5068 -21.2807 -41.8848 -18.0508 TIMING: 1952200 CPU: 5808.91, 0.00297258/step Wall: 5808.91, 0.00297258/step, 2.51662 hours remaining, 206.980469 MB of memory in use. ENERGY: 1952200 751.9695 2073.6035 1959.2483 117.3844 -205492.8399 17541.6980 0.0000 0.0000 34377.7515 -148671.1847 300.2295 -183048.9362 -148578.0531 300.6173 -119.8918 -91.8175 558274.9582 -14.3565 -14.3512 LDB: ============= START OF LOAD BALANCING ============== 5812.33 LDB: ============== END OF LOAD BALANCING =============== 5812.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5812.33 LDB: ============= START OF LOAD BALANCING ============== 5812.63 LDB: Largest compute 4821 load 0.024534 is 20.8% of average load 0.118088 LDB: Average compute 0.001717 is 1.5% of average load 0.118088 LDB: TIME 5812.63 LOAD: AVG 0.118088 MAX 0.199749 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 5812.63 LOAD: AVG 0.118088 MAX 0.199749 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 5812.63 LOAD: AVG 0.118088 MAX 0.199749 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: ============== END OF LOAD BALANCING =============== 5812.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5812.64 PRESSURE: 1952400 -36.316 91.4722 251.83 91.4705 118.755 26.6929 251.831 26.6924 -231.587 GPRESSURE: 1952400 29.1959 48.2049 254.236 61.8392 107.564 117.27 212.879 -28.3795 -182.475 PRESSAVG: 1952400 28.3776 -15.462 41.9912 -15.4618 -35.7143 44.1897 41.9912 44.1897 29.2142 GPRESSAVG: 1952400 28.4554 -16.0385 42.5202 -14.9919 -35.7604 46.562 39.5963 41.6086 29.6949 TIMING: 1952400 CPU: 5809.51, 0.00301291/step Wall: 5809.51, 0.00301291/step, 2.55059 hours remaining, 207.222656 MB of memory in use. ENERGY: 1952400 790.9562 2069.3669 1950.7770 108.0853 -205738.4608 17518.7502 0.0000 0.0000 34452.6265 -148847.8986 300.8834 -183300.5252 -148753.0564 300.4444 -49.7161 -15.2382 556926.0566 7.2925 7.4633 PRESSURE: 1952600 126.26 74.192 43.9038 74.1915 90.7925 129.973 43.9043 129.973 25.0582 GPRESSURE: 1952600 175.599 74.5517 110.466 46.4274 110.856 156.226 22.1471 126.669 64.248 PRESSAVG: 1952600 -15.5571 4.62958 35.2795 4.62957 4.79974 25.1717 35.2796 25.1716 5.90984 GPRESSAVG: 1952600 -14.3502 3.69577 35.0599 4.97116 4.00679 22.2445 36.297 28.3387 5.27375 TIMING: 1952600 CPU: 5810.1, 0.00293534/step Wall: 5810.1, 0.00293534/step, 2.48477 hours remaining, 207.421875 MB of memory in use. ENERGY: 1952600 743.5962 2072.3029 1961.8231 113.2626 -206193.3863 17847.0157 0.0000 0.0000 34575.0135 -148880.3722 301.9522 -183455.3857 -148779.2961 300.0884 80.7037 116.9008 556921.9117 -1.6159 -1.6899 PRESSURE: 1952800 96.3778 -161.483 -30.6976 -161.483 148.402 -53.4192 -30.6988 -53.4184 -121.701 GPRESSURE: 1952800 130.142 -71.8689 -5.21054 -206.251 171.63 -20.4852 26.3305 -80.6164 -80.834 PRESSAVG: 1952800 65.2335 14.65 39.3804 14.6501 -66.1696 15.5495 39.3804 15.5495 1.37462 GPRESSAVG: 1952800 65.0448 15.4066 40.6344 14.4657 -64.8608 16.8633 40.0032 14.6198 0.845828 TIMING: 1952800 CPU: 5810.69, 0.00295202/step Wall: 5810.69, 0.00295202/step, 2.49872 hours remaining, 207.421875 MB of memory in use. ENERGY: 1952800 762.9754 2038.2838 1956.4405 109.3105 -205796.9150 17664.4222 0.0000 0.0000 34275.4714 -148990.0112 299.3362 -183265.4826 -148892.6408 300.1760 41.0263 73.6457 556525.3208 0.1462 0.3433 PRESSURE: 1953000 -133.52 -10.8614 47.0855 -10.8604 43.8649 32.0546 47.085 32.0561 -61.3903 GPRESSURE: 1953000 -69.628 23.5515 26.465 -20.4247 33.6754 63.2027 83.7062 87.4255 -25.9213 PRESSAVG: 1953000 -24.8633 63.5451 -62.0134 63.5451 36.2831 -0.978391 -62.0135 -0.978588 -24.1143 GPRESSAVG: 1953000 -25.0404 62.9018 -62.0963 63.026 35.4805 -1.7221 -62.4653 -0.243145 -22.7895 TIMING: 1953000 CPU: 5811.28, 0.00295745/step Wall: 5811.28, 0.00295745/step, 2.50315 hours remaining, 207.421875 MB of memory in use. ENERGY: 1953000 736.9157 2055.4961 1944.7226 105.8433 -205953.3324 17917.3138 0.0000 0.0000 34187.0175 -149006.0234 298.5637 -183193.0409 -148917.5268 299.5210 -50.3485 -20.6246 557608.9490 -4.2315 -4.1165 PRESSURE: 1953200 21.6803 -6.36701 -159.489 -6.36543 -113.003 -33.5568 -159.49 -33.5573 -111.102 GPRESSURE: 1953200 91.5126 21.5067 -155.764 -132.283 -48.4217 -53.3534 -88.3833 -41.8879 -138.559 PRESSAVG: 1953200 61.516 46.9197 85.8375 46.9198 -2.97268 39.526 85.8375 39.5261 -17.6027 GPRESSAVG: 1953200 61.6662 47.0506 85.7257 47.2154 -2.35904 38.6159 85.9573 40.5461 -18.2701 TIMING: 1953200 CPU: 5811.87, 0.00293539/step Wall: 5811.87, 0.00293539/step, 2.48432 hours remaining, 207.421875 MB of memory in use. ENERGY: 1953200 724.4921 2120.1734 1952.6732 114.1116 -205748.3292 17785.0886 0.0000 0.0000 34404.9445 -148646.8460 300.4669 -183051.7904 -148549.8685 299.5583 -67.4748 -31.8226 560249.7424 13.6469 13.6790 PRESSURE: 1953400 -210.1 -20.3529 -31.4053 -20.3533 -102.653 -17.4488 -31.4065 -17.4481 11.4475 GPRESSURE: 1953400 -167.049 -41.3326 -74.1855 -10.9469 -42.4508 -39.3206 -43.6052 -34.4368 1.22511 PRESSAVG: 1953400 -2.80606 -5.3329 -10.7676 -5.33282 -113.827 24.7245 -10.7676 24.7245 23.8152 GPRESSAVG: 1953400 -2.92495 -4.45104 -11.8509 -6.19516 -113.566 26.8051 -10.4276 22.7839 23.646 TIMING: 1953400 CPU: 5812.46, 0.002973/step Wall: 5812.46, 0.002973/step, 2.51598 hours remaining, 207.421875 MB of memory in use. ENERGY: 1953400 739.8074 2060.9093 1953.2706 114.0552 -205571.8800 17511.2461 0.0000 0.0000 34519.1196 -148673.4719 301.4641 -183192.5915 -148581.1796 300.6654 -100.4351 -69.4249 558241.2928 -30.9393 -30.9483 PRESSURE: 1953600 126.266 115.905 8.45926 115.906 165 -106.295 8.45909 -106.295 127.981 GPRESSURE: 1953600 147.776 96.5674 7.44889 65.8226 187.017 -39.4335 -77.762 -123.366 193.743 PRESSAVG: 1953600 -42.6853 57.3658 -29.5029 57.3657 30.3504 7.81458 -29.5029 7.81455 19.3894 GPRESSAVG: 1953600 -42.2357 57.2609 -29.2275 58.0523 29.0767 9.01132 -30.039 7.07223 20.9089 TIMING: 1953600 CPU: 5813.05, 0.00294336/step Wall: 5813.05, 0.00294336/step, 2.49074 hours remaining, 207.421875 MB of memory in use. ENERGY: 1953600 747.4591 2063.1571 1945.6310 128.1636 -205661.8236 17791.8198 0.0000 0.0000 34287.0553 -148698.5377 299.4374 -182985.5931 -148605.8987 301.2942 139.7492 176.1784 556788.5140 2.3515 2.5833 PRESSURE: 1953800 -17.2897 -98.4337 -92.3416 -98.4333 40.2485 -31.6042 -92.342 -31.6039 -255.473 GPRESSURE: 1953800 58.6141 -111.488 -73.9746 -114.743 -1.79257 38.0575 -50.9509 -82.3692 -193.918 PRESSAVG: 1953800 16.2368 31.2232 5.10041 31.2233 14.3209 -18.0446 5.10039 -18.0446 11.6482 GPRESSAVG: 1953800 16.8851 31.6045 4.89566 30.3387 14.6239 -20.5803 5.19262 -15.3293 10.3921 TIMING: 1953800 CPU: 5813.64, 0.0029595/step Wall: 5813.64, 0.0029595/step, 2.50423 hours remaining, 207.421875 MB of memory in use. ENERGY: 1953800 746.9226 2135.3740 1974.9614 108.1726 -205407.4581 17497.2142 0.0000 0.0000 34230.8020 -148714.0112 298.9461 -182944.8133 -148619.5069 300.3944 -77.5047 -45.6987 558977.2327 14.0687 13.9670 PRESSURE: 1954000 137.674 21.194 7.95559 21.195 114.857 -18.8392 7.9561 -18.8392 348.75 GPRESSURE: 1954000 181.996 7.66741 15.0382 -71.3772 153.502 25.0027 15.7006 -83.3167 350.946 PRESSAVG: 1954000 -47.7005 -23.0766 23.5044 -23.0767 100.563 8.86186 23.5045 8.86187 -55.5742 GPRESSAVG: 1954000 -48.3666 -24.6237 25.0395 -22.3811 101.728 8.06696 22.8818 8.22409 -56.0927 TIMING: 1954000 CPU: 5814.23, 0.00294712/step Wall: 5814.23, 0.00294712/step, 2.49359 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: 1954000 783.3725 2042.3615 1931.2046 104.7527 -206340.1783 18009.5318 0.0000 0.0000 34607.9130 -148861.0423 302.2395 -183468.9553 -148765.0506 300.3842 200.4269 228.8146 556882.0432 -0.9040 -0.9105 PRESSURE: 1954200 -116.5 -210.341 -68.5206 -210.341 12.5614 -18.2168 -68.5201 -18.2175 -20.0951 GPRESSURE: 1954200 -73.7793 -246.351 22.2456 -252.768 68.4398 105.624 -86.8999 -38.9766 -27.6372 PRESSAVG: 1954200 6.52087 -33.7558 4.94637 -33.7558 30.9233 -4.84122 4.94637 -4.84131 -14.4927 GPRESSAVG: 1954200 6.08044 -34.3721 2.77903 -33.9999 29.9407 -2.43945 6.41014 -7.89539 -12.9249 TIMING: 1954200 CPU: 5814.82, 0.00293171/step Wall: 5814.82, 0.00293171/step, 2.48039 hours remaining, 207.421875 MB of memory in use. ENERGY: 1954200 753.5117 2127.0648 1977.7102 113.3704 -206123.8772 17914.6364 0.0000 0.0000 34401.2435 -148836.3403 300.4346 -183237.5837 -148743.8273 299.8680 -41.3446 -10.9922 558316.5927 7.6505 7.6987 PRESSURE: 1954400 -210.07 101.719 -16.4925 101.72 109.26 3.85019 -16.4927 3.85057 -19.3523 GPRESSURE: 1954400 -101.335 41.1734 -30.587 82.039 96.9286 -97.3714 55.58 93.9711 -11.7218 PRESSAVG: 1954400 10.8954 -5.85601 45.6324 -5.85604 38.7253 -10.1067 45.6323 -10.1068 -65.6821 GPRESSAVG: 1954400 12.3688 -5.69044 46.2716 -5.17796 37.5981 -11.2795 44.5846 -8.37817 -66.1405 TIMING: 1954400 CPU: 5815.41, 0.00295942/step Wall: 5815.41, 0.00295942/step, 2.50367 hours remaining, 207.421875 MB of memory in use. ENERGY: 1954400 784.6388 2111.7857 1945.7567 119.5615 -205727.1019 17679.1184 0.0000 0.0000 34276.5826 -148809.6581 299.3459 -183086.2407 -148716.5585 300.6770 -40.0543 -5.3761 558118.3680 -5.3538 -5.3912 PRESSURE: 1954600 -127.378 19.9006 -0.824518 19.8996 -156.65 67.2668 -0.824015 67.2636 -105.367 GPRESSURE: 1954600 -133.114 75.4717 -96.156 93.9214 -114.742 3.08144 35.6325 140.401 -52.9639 PRESSAVG: 1954600 22.9381 -59.7322 14.8377 -59.7322 14.4145 47.8523 14.8377 47.8524 2.98504 GPRESSAVG: 1954600 21.3295 -59.8382 14.487 -60.4156 15.1319 46.8854 15.1166 48.0042 3.44516 TIMING: 1954600 CPU: 5816.01, 0.00299171/step Wall: 5816.01, 0.00299171/step, 2.53082 hours remaining, 207.421875 MB of memory in use. ENERGY: 1954600 712.4407 2094.7401 1936.8794 103.0178 -205471.7407 17430.2944 0.0000 0.0000 34428.6167 -148765.7516 300.6737 -183194.3683 -148670.0352 300.3878 -129.7985 -100.2733 559048.8268 13.4459 13.3022 PRESSURE: 1954800 302.265 -83.7059 -87.5822 -83.7072 -158.709 171.354 -87.5813 171.354 183.066 GPRESSURE: 1954800 332.31 -86.2951 -73.5992 -120.633 -99.536 256.243 -130.083 168.295 184.868 PRESSAVG: 1954800 23.5748 -40.4356 -43.446 -40.4355 2.95458 20.3404 -43.446 20.3404 -54.0929 GPRESSAVG: 1954800 24.0096 -40.3987 -39.7159 -37.8389 4.25273 21.6479 -44.0676 19.3789 -55.9568 TIMING: 1954800 CPU: 5816.6, 0.00297158/step Wall: 5816.6, 0.00297158/step, 2.51363 hours remaining, 207.421875 MB of memory in use. ENERGY: 1954800 751.7587 2145.4571 1974.6706 114.6598 -206445.7644 17976.4426 0.0000 0.0000 34583.9732 -148898.8024 302.0304 -183482.7756 -148808.4495 300.3805 108.8741 139.2141 555947.7534 -9.1879 -9.2315 PRESSURE: 1955000 -157.111 -64.0435 -39.8272 -64.0446 -167.705 -146.998 -39.8252 -146.998 66.2143 GPRESSURE: 1955000 -121.447 -23.5549 -27.9028 -36.1604 -106.56 -142.009 -14.7984 -160.74 49.718 PRESSAVG: 1955000 41.8445 -47.0233 -30.7737 -47.0233 -54.3192 7.03863 -30.7736 7.03862 8.07053 GPRESSAVG: 1955000 42.5523 -46.1783 -34.0336 -48.327 -55.3863 5.93447 -30.1968 8.64315 8.28611 TIMING: 1955000 CPU: 5817.19, 0.00295668/step Wall: 5817.19, 0.00295668/step, 2.50086 hours remaining, 207.421875 MB of memory in use. ENERGY: 1955000 775.8352 2129.6709 1948.9474 107.3138 -206078.0945 17656.2905 0.0000 0.0000 34442.7503 -149017.2864 300.7971 -183460.0367 -148925.0400 299.4541 -86.2006 -59.4299 558069.5477 -1.4680 -1.5160 PRESSURE: 1955200 183.282 8.11354 -152.962 8.11341 -5.94984 -39.3646 -152.963 -39.3645 209.11 GPRESSURE: 1955200 237.564 0.76274 -125.512 -3.63877 1.74776 -9.75257 -201.483 -75.0671 244.818 PRESSAVG: 1955200 22.6863 -52.7903 -28.469 -52.7902 -108.752 26.9309 -28.4691 26.9308 59.3366 GPRESSAVG: 1955200 21.1098 -51.9565 -29.1357 -53.4971 -107.642 29.5455 -28.2538 25.3902 60.2044 TIMING: 1955200 CPU: 5817.78, 0.00296498/step Wall: 5817.78, 0.00296498/step, 2.50771 hours remaining, 207.421875 MB of memory in use. ENERGY: 1955200 742.4809 2075.1011 1965.3813 118.5768 -206162.5959 17936.8128 0.0000 0.0000 34120.9676 -149203.2754 297.9869 -183324.2430 -149110.8384 299.2645 128.8138 161.3766 557040.4994 -8.9098 -8.7761 PRESSURE: 1955400 -72.2133 89.6485 -39.9779 89.6483 5.19447 -133.859 -39.978 -133.858 275.225 GPRESSURE: 1955400 -28.6279 20.8462 -80.4253 110.667 41.4203 -107.929 -32.6329 -183.622 287.873 PRESSAVG: 1955400 -11.3993 -11.4725 -23.5188 -11.4725 -24.8657 -14.442 -23.5188 -14.442 13.9337 GPRESSAVG: 1955400 -9.51732 -10.8165 -23.0773 -11.6199 -26.4549 -19.263 -24.0253 -13.2911 13.4912 TIMING: 1955400 CPU: 5818.38, 0.00295289/step Wall: 5818.38, 0.00295289/step, 2.49732 hours remaining, 207.421875 MB of memory in use. ENERGY: 1955400 736.1301 2039.8923 1924.2471 111.4934 -206239.6222 18047.3085 0.0000 0.0000 34224.6302 -149155.9206 298.8922 -183380.5508 -149056.6488 299.2816 69.4021 100.2218 560768.2228 -7.4438 -7.4937 PRESSURE: 1955600 -95.1395 -160.957 -50.7258 -160.958 -326.91 -3.82484 -50.7259 -3.82301 236.911 GPRESSURE: 1955600 -77.606 -202.052 -77.8486 -165.44 -250.243 11.9121 -110.601 -34.831 232.818 PRESSAVG: 1955600 4.3093 -82.3858 -1.7462 -82.3858 -6.83742 -67.4521 -1.7462 -67.4522 2.8614 GPRESSAVG: 1955600 3.45404 -82.5139 0.585422 -82.7215 -6.52875 -68.2089 -2.0204 -66.2416 3.14005 TIMING: 1955600 CPU: 5818.97, 0.00296487/step Wall: 5818.97, 0.00296487/step, 2.5073 hours remaining, 207.421875 MB of memory in use. ENERGY: 1955600 729.8971 2028.9880 1932.7789 131.3316 -206106.7677 17546.7458 0.0000 0.0000 34570.0096 -149167.0166 301.9085 -183737.0263 -149083.4784 299.4480 -61.7130 -31.6768 558069.8596 0.1111 0.0218 PRESSURE: 1955800 231.383 8.81616 -43.2615 8.81584 -99.3185 69.2632 -43.2607 69.2629 -46.6603 GPRESSURE: 1955800 264.68 40.7315 3.73526 -57.3582 -109.642 22.3362 -126.2 113.023 24.528 PRESSAVG: 1955800 2.06114 -10.999 -0.998264 -10.9991 15.7043 23.6801 -0.998218 23.68 48.3257 GPRESSAVG: 1955800 2.34135 -11.3085 -2.14272 -12.2108 15.2868 25.3586 -0.918673 23.9351 48.2234 TIMING: 1955800 CPU: 5819.56, 0.00294927/step Wall: 5819.56, 0.00294927/step, 2.49394 hours remaining, 207.421875 MB of memory in use. ENERGY: 1955800 721.9221 2086.0006 1938.8114 120.1976 -206348.7774 17887.8679 0.0000 0.0000 34407.5443 -149186.4336 300.4896 -183593.9779 -149086.7563 299.6171 28.4681 59.8553 557326.9771 22.0304 21.9505 PRESSURE: 1956000 113.046 26.3903 -124.942 26.391 -11.1135 199.512 -124.943 199.513 254.075 GPRESSURE: 1956000 149.062 -11.7193 -178.569 9.27347 -12.0381 154.458 -176.649 208.805 306.692 PRESSAVG: 1956000 56.8813 -78.7009 -19.1545 -78.7008 -19.8298 -6.21998 -19.1546 -6.22003 -9.67879 GPRESSAVG: 1956000 56.2266 -78.9139 -17.5216 -76.1312 -19.7088 -4.64602 -20.0086 -7.20896 -9.52524 TIMING: 1956000 CPU: 5820.15, 0.0029416/step Wall: 5820.15, 0.0029416/step, 2.48729 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: 1956000 731.5909 2150.6013 1949.6759 116.0679 -206384.2888 17937.3619 0.0000 0.0000 34275.8478 -149223.1432 299.3395 -183498.9910 -149121.7739 299.4761 118.6690 147.9055 556703.4102 9.1242 8.9975 PRESSURE: 1956200 189.874 137.075 -95.6335 137.074 -199.523 -28.7719 -95.6327 -28.7725 -379.587 GPRESSURE: 1956200 200.896 193.843 -68.6808 143.098 -166.592 33.6861 -118.043 -19.3843 -314.409 PRESSAVG: 1956200 -6.82736 1.37851 -17.8045 1.37841 24.3329 2.11785 -17.8045 2.11777 -24.5156 GPRESSAVG: 1956200 -6.69412 0.777708 -21.2168 0.816662 24.5695 1.73481 -14.8599 2.2045 -25.1444 TIMING: 1956200 CPU: 5820.74, 0.00296605/step Wall: 5820.74, 0.00296605/step, 2.5078 hours remaining, 207.421875 MB of memory in use. ENERGY: 1956200 719.7976 2109.9283 1961.8551 109.7309 -205965.4376 17616.6054 0.0000 0.0000 34361.3827 -149086.1376 300.0865 -183447.5203 -148988.1380 299.9593 -129.7454 -93.3682 557627.7044 -2.3367 -2.4230 LDB: ============= START OF LOAD BALANCING ============== 5824.17 LDB: ============== END OF LOAD BALANCING =============== 5824.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5824.17 LDB: ============= START OF LOAD BALANCING ============== 5824.47 LDB: Largest compute 4821 load 0.024138 is 20.4% of average load 0.118061 LDB: Average compute 0.001720 is 1.5% of average load 0.118061 LDB: TIME 5824.47 LOAD: AVG 0.118061 MAX 0.201562 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.488 MB LDB: TIME 5824.47 LOAD: AVG 0.118061 MAX 0.201562 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.492 MB LDB: TIME 5824.47 LOAD: AVG 0.118061 MAX 0.201562 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5824.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5824.48 PRESSURE: 1956400 74.8396 -20.387 -53.4417 -20.3882 40.0057 -92.795 -53.4411 -92.7949 -290.371 GPRESSURE: 1956400 100.38 30.9653 -118.935 -47.8675 89.5217 -117.45 -39.5208 -31.853 -264.981 PRESSAVG: 1956400 121.924 -37.002 4.03856 -37.0021 -21.9447 -19.1147 4.03863 -19.1146 -56.2049 GPRESSAVG: 1956400 121.463 -34.4577 7.20155 -39.0108 -21.8459 -19.8529 1.11026 -20.5908 -56.095 TIMING: 1956400 CPU: 5821.35, 0.00303214/step Wall: 5821.35, 0.00303214/step, 2.56351 hours remaining, 205.429688 MB of memory in use. ENERGY: 1956400 703.3481 2122.6546 1960.6494 117.6243 -206188.9665 17749.8687 0.0000 0.0000 34306.4049 -149228.4164 299.6064 -183534.8213 -149133.3421 299.8358 -58.5087 -25.0267 556666.4658 14.5914 14.5074 PRESSURE: 1956600 164.202 16.8871 58.6704 16.8854 8.72471 26.0827 58.6718 26.0809 234.624 GPRESSURE: 1956600 156.007 -46.5494 116.369 19.8947 46.7282 -21.156 55.8836 7.85172 310.671 PRESSAVG: 1956600 15.8607 -10.1744 -34.2319 -10.1744 -25.9027 -52.3156 -34.232 -52.3157 25.0118 GPRESSAVG: 1956600 16.6013 -11.5671 -35.5058 -9.1285 -26.4103 -50.9336 -32.74 -52.868 24.7319 TIMING: 1956600 CPU: 5821.94, 0.00297081/step Wall: 5821.94, 0.00297081/step, 2.51149 hours remaining, 205.429688 MB of memory in use. ENERGY: 1956600 720.6862 2125.9125 1932.5946 115.2377 -206469.2838 18024.0498 0.0000 0.0000 34289.0296 -149261.7734 299.4546 -183550.8030 -149160.7416 300.0565 135.8501 171.1354 556482.9589 4.9900 4.9743 PRESSURE: 1956800 134.714 -22.5005 49.4683 -22.5007 96.9039 31.7979 49.4689 31.799 159.078 GPRESSURE: 1956800 212.431 -5.27877 91.5214 -54.3081 83.0199 -1.6338 82.1597 76.9148 190.608 PRESSAVG: 1956800 17.0876 -14.4201 28.1893 -14.42 -23.5871 28.6741 28.1893 28.6741 42.1541 GPRESSAVG: 1956800 15.654 -13.964 28.1194 -14.044 -23.2251 28.2979 28.1976 30.4906 43.3055 TIMING: 1956800 CPU: 5822.53, 0.00296173/step Wall: 5822.53, 0.00296173/step, 2.50365 hours remaining, 205.429688 MB of memory in use. ENERGY: 1956800 764.4390 2123.2523 1952.0110 115.1058 -206572.9793 18069.8833 0.0000 0.0000 34342.2415 -149206.0465 299.9193 -183548.2880 -149110.2091 299.8724 130.2322 162.0196 557173.6726 11.8849 11.9115 PRESSURE: 1957000 181.012 34.4745 71.2462 34.4759 -78.784 87.8088 71.2458 87.8096 -243.229 GPRESSURE: 1957000 160.43 88.9829 55.8359 -20.9786 -6.20776 73.3358 85.6156 122.441 -197.999 PRESSAVG: 1957000 -14.1763 -27.0032 15.1466 -27.0033 27.9027 22.2482 15.1465 22.2482 -52.7857 GPRESSAVG: 1957000 -14.0775 -26.6806 15.0523 -27.4473 27.4417 22.4951 14.5037 21.7169 -52.9273 TIMING: 1957000 CPU: 5823.13, 0.00296441/step Wall: 5823.13, 0.00296441/step, 2.50575 hours remaining, 205.429688 MB of memory in use. ENERGY: 1957000 729.1174 2150.7010 1950.2905 122.8463 -206467.4198 17942.3194 0.0000 0.0000 34329.5325 -149242.6127 299.8083 -183572.1452 -149146.8829 299.4022 -47.0003 -14.5923 557493.6619 -13.0198 -13.1877 PRESSURE: 1957200 80.2783 47.44 -49.7399 47.4399 -9.21903 -39.7068 -49.7398 -39.7079 -172.073 GPRESSURE: 1957200 101.339 69.5116 -108.615 121.517 53.5004 -4.27956 -1.39417 -49.6322 -165.058 PRESSAVG: 1957200 -4.28265 12.6529 24.1816 12.653 -4.70282 -33.4523 24.1817 -33.4522 21.7596 GPRESSAVG: 1957200 -4.79514 10.205 23.5467 14.5275 -3.77208 -33.807 24.1234 -33.0194 21.2179 TIMING: 1957200 CPU: 5823.72, 0.00297472/step Wall: 5823.72, 0.00297472/step, 2.5143 hours remaining, 205.429688 MB of memory in use. ENERGY: 1957200 770.8854 2121.7162 1946.8769 119.6688 -206257.8625 17759.2439 0.0000 0.0000 34369.8545 -149169.6167 300.1605 -183539.4713 -149069.2423 299.1202 -33.6712 -3.4061 556567.0946 4.2581 4.2169 PRESSURE: 1957400 -121.319 155.049 -17.3651 155.05 131.547 49.2195 -17.3652 49.221 86.5706 GPRESSURE: 1957400 -68.5687 142.379 -66.0975 203.262 134.049 82.4767 -59.6669 20.135 129.641 PRESSAVG: 1957400 -18.0874 -64.1654 44.7212 -64.1654 66.4813 62.9515 44.7212 62.9515 -47.6019 GPRESSAVG: 1957400 -17.2774 -62.9862 45.4339 -65.1066 67.2886 61.4179 44.986 63.1802 -48.6502 TIMING: 1957400 CPU: 5824.32, 0.00297778/step Wall: 5824.32, 0.00297778/step, 2.51672 hours remaining, 205.429688 MB of memory in use. ENERGY: 1957400 760.8789 2107.8584 1951.1779 113.3956 -206330.5832 17955.2375 0.0000 0.0000 34379.8385 -149062.1964 300.2477 -183442.0349 -148968.8162 299.8943 32.2663 65.0402 556959.2348 0.2640 0.4536 PRESSURE: 1957600 -22.8662 34.8645 -25.5774 34.865 82.5297 17.0744 -25.5785 17.0736 168.485 GPRESSURE: 1957600 -24.5189 -13.5779 48.7989 36.8332 137.175 5.01874 -2.38941 18.3016 200.407 PRESSAVG: 1957600 -15.2449 -18.3691 9.90664 -18.3691 -18.5797 51.0494 9.90663 51.0495 -2.21553 GPRESSAVG: 1957600 -15.523 -19.0083 7.18103 -20.3921 -20.3417 52.0309 10.5555 51.0591 -0.438471 TIMING: 1957600 CPU: 5824.92, 0.00300589/step Wall: 5824.92, 0.00300589/step, 2.54031 hours remaining, 205.429688 MB of memory in use. ENERGY: 1957600 750.0083 2144.5236 1958.6320 104.3345 -206042.6036 17803.0871 0.0000 0.0000 34178.9513 -149103.0667 298.4933 -183282.0180 -149012.8654 300.2240 76.0495 104.3545 556376.9740 -12.0134 -12.1010 PRESSURE: 1957800 -44.728 82.4892 85.9591 82.4898 -258.368 54.9249 85.9587 54.9242 -16.5184 GPRESSURE: 1957800 21.8387 73.1793 33.1345 80.7553 -252.52 118.256 48.1901 -53.4586 0.950351 PRESSAVG: 1957800 33.2079 48.1201 -1.04058 48.12 -14.7632 38.6581 -1.04065 38.6581 -20.8333 GPRESSAVG: 1957800 33.7043 47.6718 0.564227 50.7723 -14.431 41.2053 -2.30403 38.8998 -21.7452 TIMING: 1957800 CPU: 5825.52, 0.00299898/step Wall: 5825.52, 0.00299898/step, 2.5343 hours remaining, 205.429688 MB of memory in use. ENERGY: 1957800 782.6920 2148.7623 1950.6104 110.8395 -206110.1937 17804.0090 0.0000 0.0000 34356.3455 -148956.9351 300.0425 -183313.2806 -148859.7240 300.4790 -106.5383 -76.5769 558412.8855 -0.7962 -0.8240 PRESSURE: 1958000 387.929 -142.135 49.9992 -142.136 -47.0069 -87.5122 49.9983 -87.5124 9.87035 GPRESSURE: 1958000 404.139 -214.037 39.3124 -151.482 -19.675 -45.5982 21.7814 -146.493 55.0811 PRESSAVG: 1958000 9.59474 -29.3236 -6.76495 -29.3235 21.6487 -20.4815 -6.76489 -20.4816 -18.3374 GPRESSAVG: 1958000 9.70893 -26.616 -6.65098 -30.9689 21.4458 -22.3406 -6.14486 -20.8049 -17.5939 TIMING: 1958000 CPU: 5826.11, 0.00297303/step Wall: 5826.11, 0.00297303/step, 2.51221 hours remaining, 205.429688 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: 1958000 733.7911 2145.5196 1919.0881 128.5185 -206420.5936 18066.0777 0.0000 0.0000 34257.2283 -149170.3704 299.1769 -183427.5987 -149080.0537 299.9976 116.9308 146.5151 557506.4347 4.3020 4.5203 PRESSURE: 1958200 -115.871 -75.2059 -11.5327 -75.2072 -88.804 -27.1988 -11.5315 -27.1989 -104.971 GPRESSURE: 1958200 -65.9427 -77.3923 42.7294 -82.5439 -107.489 102.998 -102.14 -29.1696 -60.4839 PRESSAVG: 1958200 -9.8205 -14.913 9.33773 -14.9129 -21.0412 60.3362 9.33776 60.3362 18.6714 GPRESSAVG: 1958200 -10.4414 -16.5704 8.63977 -15.5538 -20.5179 62.2282 6.1545 59.2439 19.1478 TIMING: 1958200 CPU: 5826.71, 0.00297418/step Wall: 5826.71, 0.00297418/step, 2.51302 hours remaining, 205.429688 MB of memory in use. ENERGY: 1958200 764.6860 2078.3917 1943.4798 119.4798 -206109.4496 17742.9200 0.0000 0.0000 34432.8757 -149027.6167 300.7109 -183460.4924 -148931.8864 299.5882 -103.2155 -77.9719 559135.2734 -4.0634 -3.9372 PRESSURE: 1958400 116.47 82.5987 -20.3396 82.5981 164.415 -43.4655 -20.3384 -43.4657 6.91051 GPRESSURE: 1958400 149.593 91.6387 -58.8543 4.03096 217.49 10.5709 -32.3454 -18.5113 15.8091 PRESSAVG: 1958400 -26.7858 17.7257 -57.0723 17.7256 28.1615 -13.9983 -57.0723 -13.9982 25.2153 GPRESSAVG: 1958400 -25.6872 16.9412 -54.0005 16.5916 28.0248 -16.4003 -56.2342 -12.4108 23.8975 TIMING: 1958400 CPU: 5827.3, 0.0029584/step Wall: 5827.3, 0.0029584/step, 2.49952 hours remaining, 205.429688 MB of memory in use. ENERGY: 1958400 734.7844 2112.2757 1957.9763 109.2897 -206341.5501 18084.1990 0.0000 0.0000 34289.8279 -149053.1971 299.4616 -183343.0250 -148957.4452 300.2807 95.9318 127.6306 557802.4158 8.8637 8.7450 PRESSURE: 1958600 39.1805 -125.474 -174.217 -125.475 -139.422 -91.3238 -174.218 -91.3244 -3.90724 GPRESSURE: 1958600 39.2767 -130.981 -165.291 -117.466 -89.211 -33.7188 -149.169 -193.793 45.2039 PRESSAVG: 1958600 -16.2813 23.0602 -45.2359 23.0603 28.1349 -15.6546 -45.2359 -15.6546 -20.8977 GPRESSAVG: 1958600 -16.5812 24.4312 -46.0596 22.6833 28.0098 -15.3856 -44.9257 -16.4293 -20.5344 TIMING: 1958600 CPU: 5827.89, 0.00294453/step Wall: 5827.89, 0.00294453/step, 2.48763 hours remaining, 205.429688 MB of memory in use. ENERGY: 1958600 739.6394 2066.6798 1953.6236 117.8829 -206287.2783 17774.7021 0.0000 0.0000 34452.6196 -149182.1310 300.8833 -183634.7505 -149087.4687 299.8890 -34.7162 -1.5768 557930.1071 -3.0147 -3.0353 PRESSURE: 1958800 79.2178 26.0685 38.8886 26.0675 57.4033 86.4231 38.8883 86.4214 138.875 GPRESSURE: 1958800 96.8367 69.0004 25.7616 2.0694 76.3864 137.631 30.388 83.6315 191.46 PRESSAVG: 1958800 -44.0093 -17.2799 -1.15148 -17.2798 9.36703 59.2657 -1.15147 59.2657 60.3991 GPRESSAVG: 1958800 -43.3066 -17.4432 -1.5381 -16.2365 9.05959 59.9412 0.00814777 58.4646 59.8821 TIMING: 1958800 CPU: 5828.48, 0.00296421/step Wall: 5828.48, 0.00296421/step, 2.5041 hours remaining, 205.429688 MB of memory in use. ENERGY: 1958800 722.1772 2097.7664 1921.2126 110.4873 -206080.0118 17883.3062 0.0000 0.0000 34286.8285 -149058.2338 299.4354 -183345.0622 -148958.8981 299.4094 91.8320 121.5611 557455.8760 8.5856 8.5450 PRESSURE: 1959000 -171.653 -44.7444 63.7352 -44.7441 -61.7964 -101.32 63.7353 -101.318 -58.5537 GPRESSURE: 1959000 -91.2548 -100.408 131.277 17.3206 -39.3514 -26.4852 123.131 -17.7876 -56.6884 PRESSAVG: 1959000 5.04621 3.14711 -9.94136 3.14705 13.2824 -2.77943 -9.94126 -2.77938 -33.4867 GPRESSAVG: 1959000 5.443 1.7386 -11.0265 4.19689 12.8774 -2.82629 -9.643 -1.79002 -32.7973 TIMING: 1959000 CPU: 5829.07, 0.00295171/step Wall: 5829.07, 0.00295171/step, 2.49337 hours remaining, 205.429688 MB of memory in use. ENERGY: 1959000 724.2941 2066.4775 1914.6170 105.6811 -205927.1337 17705.6141 0.0000 0.0000 34401.2349 -149009.2150 300.4345 -183410.4499 -148910.7668 300.0177 -97.3343 -62.4315 558693.7173 -5.0527 -4.8256 PRESSURE: 1959200 -200.079 118.458 180.827 118.459 19.9593 97.858 180.826 97.8596 -373.202 GPRESSURE: 1959200 -185.069 97.2287 151.104 24.5859 91.8057 182.599 151.888 5.97957 -361.515 PRESSAVG: 1959200 16.0424 -13.6405 7.26003 -13.6404 39.8478 -39.7908 7.26009 -39.7909 -90.267 GPRESSAVG: 1959200 14.4087 -13.7836 7.20925 -14.3368 40.5898 -38.2428 6.79612 -40.8822 -89.4079 TIMING: 1959200 CPU: 5829.66, 0.00296453/step Wall: 5829.66, 0.00296453/step, 2.50404 hours remaining, 205.429688 MB of memory in use. ENERGY: 1959200 748.0739 2104.4507 1923.9030 115.3538 -206101.9947 17733.2766 0.0000 0.0000 34347.0928 -149129.8440 299.9617 -183476.9368 -149034.0251 300.1097 -184.4407 -151.5928 557972.7733 -11.4589 -11.4698 PRESSURE: 1959400 89.6309 135.116 206.642 135.115 37.5129 -4.61369 206.641 -4.61388 -111.819 GPRESSURE: 1959400 83.5905 110.249 250.395 120.001 87.374 -106.742 188.516 48.363 -54.0837 PRESSAVG: 1959400 20.8206 40.1889 44.4823 40.1889 91.927 -3.34135 44.4824 -3.34137 -45.5844 GPRESSAVG: 1959400 21.4424 42.4693 43.4921 40.1574 91.5809 -5.71011 46.0133 -0.395188 -46.0893 TIMING: 1959400 CPU: 5830.25, 0.00295436/step Wall: 5830.25, 0.00295436/step, 2.49528 hours remaining, 205.429688 MB of memory in use. ENERGY: 1959400 773.3036 2106.6949 1974.7645 108.0789 -206501.5278 17903.2544 0.0000 0.0000 34334.2992 -149301.1323 299.8500 -183635.4315 -149204.0739 299.3886 5.1083 38.9603 556831.2912 22.3877 22.3114 PRESSURE: 1959600 -94.0326 91.0905 -16.4943 91.0913 56.0175 89.1596 -16.4927 89.1588 71.1475 GPRESSURE: 1959600 -82.3577 127.74 -24.0481 3.52182 119.91 74.7404 -42.2493 33.0723 91.7983 PRESSAVG: 1959600 -84.2228 -20.7937 -18.3762 -20.7936 92.6044 15.2951 -18.3762 15.2952 12.2326 GPRESSAVG: 1959600 -83.8106 -22.1766 -17.9777 -20.9473 92.1206 17.3186 -19.6709 11.2416 12.0852 TIMING: 1959600 CPU: 5830.84, 0.00294543/step Wall: 5830.84, 0.00294543/step, 2.48758 hours remaining, 205.429688 MB of memory in use. ENERGY: 1959600 719.4808 2148.5335 1924.1980 120.5063 -206618.8714 18049.0820 0.0000 0.0000 34432.8909 -149224.1798 300.7110 -183657.0707 -149129.8945 299.1518 11.0441 43.1170 557529.4493 6.8714 6.7984 PRESSURE: 1959800 115.853 23.2523 117.658 23.2522 127.102 129.036 117.657 129.037 -127.489 GPRESSURE: 1959800 128.1 43.1871 45.3872 32.8063 111.203 152.578 178.942 14.6189 -31.1944 PRESSAVG: 1959800 41.0603 7.29799 46.2226 7.29794 14.6212 18.6634 46.2226 18.6635 -14.3303 GPRESSAVG: 1959800 41.1648 6.21085 47.4626 9.72033 14.0867 18.3195 47.0346 20.5863 -14.0854 TIMING: 1959800 CPU: 5831.44, 0.00295932/step Wall: 5831.44, 0.00295932/step, 2.49914 hours remaining, 205.429688 MB of memory in use. ENERGY: 1959800 782.5706 2078.1141 1956.6108 104.1645 -205909.6403 17684.6906 0.0000 0.0000 34223.2516 -149080.2380 298.8802 -183303.4897 -148983.1047 299.8381 38.4887 69.3696 558699.4776 13.7837 13.7220 PRESSURE: 1960000 -319.302 53.8114 199.601 53.8113 -272.321 4.73233 199.601 4.73182 -86.616 GPRESSURE: 1960000 -318.231 43.3288 158.693 137.989 -226.241 85.492 244.369 -75.5111 -43.1168 PRESSAVG: 1960000 -17.7776 -44.5284 45.5014 -44.5284 72.2715 59.5437 45.5013 59.5437 -61.4601 GPRESSAVG: 1960000 -18.7075 -45.5628 45.5464 -46.5842 72.5137 56.8259 47.0051 60.0736 -60.8893 TIMING: 1960000 CPU: 5832.03, 0.0029643/step Wall: 5832.03, 0.0029643/step, 2.50319 hours remaining, 205.429688 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: 1960000 805.9469 2054.4401 1951.5667 115.0911 -205610.5790 17448.5337 0.0000 0.0000 34207.3854 -149027.6152 298.7416 -183235.0006 -148934.8505 299.2511 -226.0797 -195.8629 559408.5541 -2.3221 -2.3610 PRESSURE: 1960200 31.8807 -94.6252 -261.269 -94.6238 41.2489 14.7393 -261.269 14.7419 157.967 GPRESSURE: 1960200 106.275 -135.45 -227.721 -92.0515 26.4793 -37.2805 -227.023 60.8893 193.366 PRESSAVG: 1960200 41.961 -50.2282 -22.4217 -50.2282 -10.7336 -13.1357 -22.4216 -13.1356 -50.8095 GPRESSAVG: 1960200 42.9086 -47.7204 -21.791 -51.6673 -11.8034 -10.2314 -24.6519 -13.3652 -50.7327 TIMING: 1960200 CPU: 5832.62, 0.00295615/step Wall: 5832.62, 0.00295615/step, 2.49614 hours remaining, 205.429688 MB of memory in use. ENERGY: 1960200 740.5582 2107.0156 1920.7629 107.0243 -206346.3653 17891.7700 0.0000 0.0000 34690.3077 -148888.9266 302.9591 -183579.2343 -148782.3376 300.1026 77.0322 108.7068 557506.4943 -6.5273 -6.5425 LDB: ============= START OF LOAD BALANCING ============== 5836.05 LDB: ============== END OF LOAD BALANCING =============== 5836.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5836.05 LDB: ============= START OF LOAD BALANCING ============== 5836.35 LDB: Largest compute 4821 load 0.024718 is 20.9% of average load 0.118049 LDB: Average compute 0.001722 is 1.5% of average load 0.118049 LDB: TIME 5836.35 LOAD: AVG 0.118049 MAX 0.200563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.766 MB LDB: TIME 5836.35 LOAD: AVG 0.118049 MAX 0.200563 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.969 MB LDB: TIME 5836.35 LOAD: AVG 0.118049 MAX 0.200563 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5836.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5836.36 PRESSURE: 1960400 70.5107 -0.565347 28.2774 -0.565709 -173.495 -18.4606 28.2774 -18.4593 -174.241 GPRESSURE: 1960400 131.996 -14.2702 26.6126 53.4778 -144.56 55.1992 31.5606 -96.079 -168.999 PRESSAVG: 1960400 56.1673 -35.0348 -30.736 -35.0347 -23.8389 18.1979 -30.7361 18.1979 -66.9974 GPRESSAVG: 1960400 55.3306 -35.1238 -30.4857 -32.6711 -23.0618 15.4647 -30.8943 18.0085 -67.3665 TIMING: 1960400 CPU: 5833.23, 0.00303342/step Wall: 5833.23, 0.00303342/step, 2.56121 hours remaining, 207.992188 MB of memory in use. ENERGY: 1960400 742.7802 2104.1484 1940.8294 107.5498 -205747.0144 17493.5281 0.0000 0.0000 34314.5460 -149043.6324 299.6775 -183358.1784 -148932.3390 300.0715 -92.4083 -60.5211 557265.2036 -11.5564 -11.6992 PRESSURE: 1960600 16.6017 -5.2741 -112.695 -5.27322 -78.5067 73.354 -112.697 73.3534 102.295 GPRESSURE: 1960600 43.3557 -70.6657 -105.328 -58.8314 -52.4497 93.6715 -93.7058 64.9561 159.858 PRESSAVG: 1960600 -9.40902 -18.7406 24.8563 -18.7406 48.2936 59.5543 24.8563 59.5544 -37.8735 GPRESSAVG: 1960600 -9.70792 -21.1041 23.3767 -20.3743 49.0229 62.1382 28.4393 58.72 -38.379 TIMING: 1960600 CPU: 5833.82, 0.00298138/step Wall: 5833.82, 0.00298138/step, 2.51711 hours remaining, 208.195312 MB of memory in use. ENERGY: 1960600 711.2877 2073.9051 1958.7907 118.6641 -206001.7412 17730.0419 0.0000 0.0000 34287.5351 -149121.5166 299.4416 -183409.0517 -149022.1631 299.9862 13.4632 50.2545 556593.4479 0.3370 0.3120 PRESSURE: 1960800 132.222 42.0822 -115.554 42.0826 146.921 8.29542 -115.554 8.29333 163.543 GPRESSURE: 1960800 146.378 4.92522 -139.472 -5.66572 162.63 -58.2995 -118.526 28.5063 245.161 PRESSAVG: 1960800 23.5371 11.7113 0.47948 11.7113 20.532 3.11502 0.479484 3.11494 -65.7278 GPRESSAVG: 1960800 24.1105 14.2047 0.825075 14.2881 19.0379 3.36151 -2.77892 4.43162 -65.2495 TIMING: 1960800 CPU: 5834.42, 0.00296644/step Wall: 5834.42, 0.00296644/step, 2.50433 hours remaining, 208.195312 MB of memory in use. ENERGY: 1960800 722.7939 2073.5774 1934.8375 121.5044 -206721.6631 18186.3419 0.0000 0.0000 34411.4519 -149271.1561 300.5238 -183682.6080 -149177.3959 299.2009 147.5621 184.7231 557561.7440 -7.2196 -7.3670 PRESSURE: 1961000 51.7396 -25.0135 126.184 -25.0154 70.3016 52.2504 126.184 52.251 -408.306 GPRESSURE: 1961000 88.7022 -28.7571 100.625 -39.4281 95.157 29.602 151.255 4.62722 -376.906 PRESSAVG: 1961000 5.21315 -1.33606 3.3511 -1.33603 60.9244 -1.98313 3.35107 -1.98304 -49.5196 GPRESSAVG: 1961000 4.61743 -1.27488 3.62731 -4.24013 62.1203 -2.7404 5.20663 -2.26131 -50.3604 TIMING: 1961000 CPU: 5835.01, 0.00297462/step Wall: 5835.01, 0.00297462/step, 2.51108 hours remaining, 208.195312 MB of memory in use. ENERGY: 1961000 785.1389 2117.2253 1938.7332 107.5424 -206355.0988 17864.7783 0.0000 0.0000 34252.6618 -149289.0190 299.1370 -183541.6808 -149188.4794 298.4501 -95.4216 -64.3490 557191.5715 5.5393 5.4591 PRESSURE: 1961200 21.4385 104.837 -62.5755 104.838 -17.7203 124.856 -62.5763 124.856 -224.061 GPRESSURE: 1961200 83.2233 113.826 -45.7158 107.519 12.9645 214.872 -148 161.776 -216.389 PRESSAVG: 1961200 28.2578 23.2676 -47.7057 23.2677 80.5165 4.08227 -47.7058 4.08232 -49.1304 GPRESSAVG: 1961200 27.6019 22.5364 -47.9734 23.977 80.6129 4.05149 -47.9837 4.54369 -49.1137 TIMING: 1961200 CPU: 5835.61, 0.00299507/step Wall: 5835.61, 0.00299507/step, 2.52817 hours remaining, 208.195312 MB of memory in use. ENERGY: 1961200 752.7903 2024.6376 1938.1291 116.3376 -205923.8641 17701.6070 0.0000 0.0000 34133.9155 -149256.4471 298.1000 -183390.3626 -149156.9990 299.2604 -73.4476 -40.0671 559194.4709 19.8813 19.7004 PRESSURE: 1961400 41.9042 43.4727 -74.783 43.4716 -14.4862 123.481 -74.7831 123.482 -220.395 GPRESSURE: 1961400 113.107 -40.3345 -42.4495 123.381 13.5995 107.052 -27.6622 78.1899 -224.316 PRESSAVG: 1961400 35.4721 -26.8068 -57.348 -26.8068 -27.6051 9.53809 -57.348 9.53814 -25.0299 GPRESSAVG: 1961400 34.9814 -27.256 -56.7576 -27.7033 -27.5772 9.74102 -56.1844 8.91574 -24.1735 TIMING: 1961400 CPU: 5836.21, 0.00300118/step Wall: 5836.21, 0.00300118/step, 2.53316 hours remaining, 208.195312 MB of memory in use. ENERGY: 1961400 745.5913 2108.6738 1943.9890 111.9646 -206152.3881 17723.6967 0.0000 0.0000 34081.8585 -149436.6142 297.6453 -183518.4727 -149332.2546 298.2038 -64.3257 -32.5367 559394.9209 -5.7209 -5.5898 PRESSURE: 1961600 -152.93 -4.24981 47.3253 -4.25003 -162.966 -28.6983 47.3258 -28.6994 -310.427 GPRESSURE: 1961600 -132.951 41.7244 -35.6661 9.16517 -139.848 -94.3138 68.2519 -16.3915 -249.06 PRESSAVG: 1961600 -31.9517 -31.7335 36.7096 -31.7336 -8.94392 58.5671 36.7097 58.5672 -16.9046 GPRESSAVG: 1961600 -30.8934 -31.7793 37.596 -32.2215 -9.37162 57.0097 33.8938 58.448 -17.8247 TIMING: 1961600 CPU: 5836.81, 0.00300745/step Wall: 5836.81, 0.00300745/step, 2.53829 hours remaining, 208.195312 MB of memory in use. ENERGY: 1961600 775.8554 2087.5457 1934.9977 114.0256 -205862.0700 17562.0282 0.0000 0.0000 33965.4328 -149422.1846 296.6286 -183387.6174 -149324.3169 298.4982 -208.7747 -173.9531 558113.9982 -19.2667 -19.3632 PRESSURE: 1961800 -172.018 -132.46 15.932 -132.461 -153.578 66.8516 15.9332 66.8528 -113.648 GPRESSURE: 1961800 -146.577 -98.8154 47.7526 -152.307 -96.6516 61.3477 -30.6343 68.3418 -93.7874 PRESSAVG: 1961800 11.3424 -12.6487 -23.1033 -12.6487 53.1688 -1.00129 -23.1033 -1.00148 -61.2705 GPRESSAVG: 1961800 11.3867 -12.3971 -23.5676 -10.5368 52.9521 0.424965 -22.9591 -1.31549 -60.9449 TIMING: 1961800 CPU: 5837.42, 0.003039/step Wall: 5837.42, 0.003039/step, 2.56475 hours remaining, 208.195312 MB of memory in use. ENERGY: 1961800 781.9335 2083.5794 1925.9733 110.2870 -206401.5199 17738.1198 0.0000 0.0000 34165.8194 -149595.8075 298.3786 -183761.6269 -149503.5536 297.8147 -146.4146 -112.3385 556287.0447 1.0802 1.1313 PRESSURE: 1962000 17.7895 7.52073 -96.1084 7.52104 38.7942 52.5179 -96.1082 52.5174 152.397 GPRESSURE: 1962000 107.5 64.1854 -67.4519 -52.3238 36.7274 -56.3454 -106.129 75.3469 158.946 PRESSAVG: 1962000 10.6129 0.113348 3.32555 0.113386 48.6186 6.8893 3.32564 6.88923 -9.8513 GPRESSAVG: 1962000 10.7495 -0.630493 3.02986 1.34796 49.2455 4.5062 2.90206 7.91395 -9.6823 TIMING: 1962000 CPU: 5838.02, 0.00299076/step Wall: 5838.02, 0.00299076/step, 2.52387 hours remaining, 208.195312 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: 1962000 779.8983 2068.3121 1933.4770 105.7552 -206720.8407 18035.8806 0.0000 0.0000 34237.3766 -149560.1408 299.0035 -183797.5174 -149461.4388 298.3577 69.6601 101.0577 555041.3719 16.4601 16.7709 PRESSURE: 1962200 -75.8526 58.4615 49.493 58.4617 -155.028 -34.7787 49.4923 -34.7776 37.0329 GPRESSURE: 1962200 -18.1054 36.0822 108.703 100.99 -149.216 -7.32412 77.767 28.7404 57.1358 PRESSAVG: 1962200 34.2779 19.3807 8.87115 19.3807 -37.845 -25.7783 8.87116 -25.7783 40.2642 GPRESSAVG: 1962200 34.8826 20.5334 6.13788 18.5705 -37.4592 -25.0035 11.3881 -27.0734 39.1912 TIMING: 1962200 CPU: 5838.61, 0.00298492/step Wall: 5838.61, 0.00298492/step, 2.51878 hours remaining, 208.195312 MB of memory in use. ENERGY: 1962200 741.9476 2061.1822 1972.5962 122.1308 -205976.3709 17647.3398 0.0000 0.0000 33955.9487 -149475.2255 296.5457 -183431.1742 -149379.0817 299.3446 -64.6160 -36.7285 556864.0858 12.2324 12.2049 PRESSURE: 1962400 122.242 61.2527 -103.845 61.2527 -16.4388 113.167 -103.845 113.168 -172.666 GPRESSURE: 1962400 100.838 51.0823 -94.9553 26.2324 62.0138 159.591 -102.26 89.4332 -133.398 PRESSAVG: 1962400 78.0086 -15.682 24.3381 -15.6821 5.82144 25.213 24.338 25.2129 -19.5846 GPRESSAVG: 1962400 77.5399 -15.7289 25.7621 -17.9451 5.13733 24.1185 21.9953 28.2879 -18.5307 TIMING: 1962400 CPU: 5839.22, 0.00301798/step Wall: 5839.22, 0.00301798/step, 2.54651 hours remaining, 208.195312 MB of memory in use. ENERGY: 1962400 758.4015 2046.9344 1938.8697 129.1200 -206500.0042 17935.2488 0.0000 0.0000 34143.3237 -149548.1062 298.1821 -183691.4298 -149449.7725 298.5622 -22.2877 9.8182 556679.2701 21.4151 21.3822 PRESSURE: 1962600 148.535 88.0332 40.1696 88.0342 28.7064 7.89867 40.1698 7.89815 -18.9647 GPRESSURE: 1962600 243.326 143.739 58.5456 -24.9088 3.45142 -6.33283 79.6813 -31.9034 8.35825 PRESSAVG: 1962600 -9.07565 -44.3927 29.8186 -44.3927 -2.50129 19.2627 29.8186 19.2626 -3.5878 GPRESSAVG: 1962600 -9.45659 -44.4185 31.2916 -43.0175 -2.76562 21.8398 30.0712 16.3103 -2.79074 TIMING: 1962600 CPU: 5839.82, 0.00301197/step Wall: 5839.82, 0.00301197/step, 2.54126 hours remaining, 208.195312 MB of memory in use. ENERGY: 1962600 712.9806 2079.9631 1933.5221 123.0275 -206244.4251 17795.0231 0.0000 0.0000 34192.9975 -149406.9111 298.6160 -183599.9086 -149308.8111 297.9834 52.7590 85.0453 556950.2812 -5.0549 -5.0043 PRESSURE: 1962800 -239.459 -18.9049 -0.100588 -18.9042 -23.9158 -102.071 -0.100526 -102.071 -68.1885 GPRESSURE: 1962800 -209.266 -29.3608 -37.3256 -62.1065 -32.6456 13.9956 63.0391 -127.237 16.6548 PRESSAVG: 1962800 44.4748 -78.9915 33.2079 -78.9915 -32.1433 8.27024 33.208 8.27022 11.7295 GPRESSAVG: 1962800 45.188 -81.1249 31.6717 -79.3358 -31.6713 7.02338 34.5185 7.94783 10.6232 TIMING: 1962800 CPU: 5840.42, 0.00301974/step Wall: 5840.42, 0.00301974/step, 2.54766 hours remaining, 208.195312 MB of memory in use. ENERGY: 1962800 801.6471 2083.8841 1937.4426 118.9159 -206049.1556 17690.4760 0.0000 0.0000 34148.1354 -149268.6544 298.2242 -183416.7898 -149173.2108 299.2727 -110.5210 -75.0855 557447.0550 8.0203 8.0466 PRESSURE: 1963000 -202.492 -213.538 154.061 -213.538 -167.786 -142.2 154.061 -142.197 -43.5717 GPRESSURE: 1963000 -164.833 -165.513 103.631 -249.977 -141.351 -198.517 236.534 -212.076 -5.59213 PRESSAVG: 1963000 1.28997 2.17683 29.3334 2.17672 35.8892 -48.8969 29.3333 -48.8969 14.7441 GPRESSAVG: 1963000 1.45294 2.46152 30.0242 3.47775 36.0899 -49.7128 28.4384 -49.842 14.5495 TIMING: 1963000 CPU: 5841.02, 0.00299205/step Wall: 5841.02, 0.00299205/step, 2.52412 hours remaining, 208.195312 MB of memory in use. ENERGY: 1963000 794.7859 2088.8565 1921.3233 109.2008 -205974.8692 17571.8656 0.0000 0.0000 34103.3451 -149385.4919 297.8330 -183488.8371 -149297.1441 298.7390 -137.9499 -103.9255 558361.7695 17.3077 17.3641 PRESSURE: 1963200 128.931 -57.3947 -32.2796 -57.3928 -276.793 40.3973 -32.2795 40.3975 -156.656 GPRESSURE: 1963200 148.572 -66.8843 -79.5328 35.1443 -233.076 -19.513 -92.1313 61.7169 -125.132 PRESSAVG: 1963200 -30.4561 -3.35473 -41.883 -3.35461 86.4179 -71.4225 -41.883 -71.4226 -43.0109 GPRESSAVG: 1963200 -31.4583 -3.56992 -41.9744 -2.80306 87.5814 -70.1524 -40.5015 -70.0289 -42.3047 TIMING: 1963200 CPU: 5841.62, 0.00299584/step Wall: 5841.62, 0.00299584/step, 2.52716 hours remaining, 208.195312 MB of memory in use. ENERGY: 1963200 756.4052 2033.7849 1925.8487 114.3672 -206299.6889 17568.1229 0.0000 0.0000 34578.5738 -149322.5863 301.9833 -183901.1602 -149228.6264 299.1320 -101.5063 -69.8787 555647.1281 4.3170 4.6061 PRESSURE: 1963400 235.719 141.402 -52.2086 141.401 75.9783 51.0342 -52.2078 51.0324 -36.1466 GPRESSURE: 1963400 306.229 149.319 -94.4103 172.523 91.1034 51.5861 -81.824 -88.1265 -33.6967 PRESSAVG: 1963400 5.85747 -62.0578 34.1173 -62.0577 80.9548 -35.7218 34.1174 -35.7218 -69.6545 GPRESSAVG: 1963400 5.36693 -60.3898 33.1376 -63.2267 79.9985 -35.1036 32.7071 -35.797 -68.7446 TIMING: 1963400 CPU: 5842.22, 0.0029686/step Wall: 5842.22, 0.0029686/step, 2.50401 hours remaining, 208.195312 MB of memory in use. ENERGY: 1963400 762.5156 2095.4152 1969.4019 120.7292 -206224.0587 17879.1074 0.0000 0.0000 34305.5030 -149091.3864 299.5985 -183396.8894 -149001.0067 299.8798 91.8501 121.2119 556787.4712 5.7193 5.5403 PRESSURE: 1963600 -118.797 -73.0212 -39.2996 -73.0211 202.031 64.5913 -39.2995 64.5913 -66.0097 GPRESSURE: 1963600 -25.804 -83.4829 -91.0489 -35.7483 184.482 104.407 -65.8333 119.022 -47.2277 PRESSAVG: 1963600 24.9319 12.3053 53.3945 12.3053 28.9818 -9.54423 53.3945 -9.54422 -64.1341 GPRESSAVG: 1963600 25.7335 9.92238 52.5155 13.2445 28.7359 -10.6668 55.2126 -7.89433 -64.4506 TIMING: 1963600 CPU: 5842.81, 0.0029748/step Wall: 5842.81, 0.0029748/step, 2.50908 hours remaining, 208.195312 MB of memory in use. ENERGY: 1963600 729.1424 2092.4150 1937.5557 113.8787 -205839.8806 17711.1477 0.0000 0.0000 34180.0371 -149075.7040 298.5028 -183255.7411 -148988.1644 299.5667 5.7413 37.1501 557240.8316 -3.4068 -3.3271 PRESSURE: 1963800 329.814 21.2065 36.588 21.2063 18.7618 8.25069 36.5873 8.25135 -12.2891 GPRESSURE: 1963800 323.884 90.3913 -103.071 -29.2736 157.907 -58.4127 83.5037 125.784 -38.5592 PRESSAVG: 1963800 33.4932 -8.03201 44.9354 -8.03201 15.6184 -40.7908 44.9355 -40.7908 -16.074 GPRESSAVG: 1963800 33.5479 -5.97817 44.623 -10.8369 15.458 -41.5096 44.8133 -41.2658 -15.7777 TIMING: 1963800 CPU: 5843.41, 0.00300238/step Wall: 5843.41, 0.00300238/step, 2.53218 hours remaining, 208.195312 MB of memory in use. ENERGY: 1963800 788.3641 2137.0166 1940.4103 114.1434 -206436.6195 18061.8478 0.0000 0.0000 34269.8759 -149124.9615 299.2873 -183394.8373 -149030.4760 299.8802 112.0956 147.7439 556839.3711 11.0125 11.0760 PRESSURE: 1964000 122.773 226.941 143.897 226.942 -44.6467 -28.4862 143.898 -28.4844 33.7344 GPRESSURE: 1964000 126.342 165.696 54.2123 227.406 -6.73102 75.7839 152.441 -157.169 84.1209 PRESSAVG: 1964000 6.60214 23.6166 24.2902 23.6165 12.1818 -9.47815 24.2901 -9.47805 11.4778 GPRESSAVG: 1964000 5.56796 20.5909 27.2277 27.349 14.4411 -9.87766 21.1171 -10.0653 10.3165 TIMING: 1964000 CPU: 5844.02, 0.00304057/step Wall: 5844.02, 0.00304057/step, 2.56421 hours remaining, 208.195312 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: 1964000 705.1510 2154.0222 1949.2527 120.1699 -206350.1932 17972.2864 0.0000 0.0000 34280.7838 -149168.5271 299.3826 -183449.3110 -149072.4063 299.7689 37.2870 67.9107 558445.6166 10.0872 10.1085 PRESSURE: 1964200 70.7168 18.283 -30.2357 18.282 -215.109 6.28206 -30.2361 6.28209 -192.192 GPRESSURE: 1964200 133.069 32.389 -50.354 68.2175 -178.078 58.4988 3.66813 7.91086 -189.461 PRESSAVG: 1964200 32.9433 -11.6676 6.57146 -11.6676 -35.4718 -32.3676 6.57144 -32.3676 -61.3118 GPRESSAVG: 1964200 34.0041 -10.9107 4.53016 -12.9266 -37.2285 -31.6025 9.66194 -30.5236 -60.5594 TIMING: 1964200 CPU: 5844.62, 0.00301073/step Wall: 5844.62, 0.00301073/step, 2.53888 hours remaining, 208.195312 MB of memory in use. ENERGY: 1964200 757.3532 2088.3383 1937.1070 115.6409 -206400.7343 17786.1502 0.0000 0.0000 34489.0788 -149227.0658 301.2017 -183716.1446 -149126.9999 299.5567 -112.1947 -78.1566 558437.6515 -21.2801 -21.2613 LDB: ============= START OF LOAD BALANCING ============== 5848.05 LDB: ============== END OF LOAD BALANCING =============== 5848.05 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5848.05 LDB: ============= START OF LOAD BALANCING ============== 5848.35 LDB: Largest compute 4821 load 0.024597 is 20.8% of average load 0.118027 LDB: Average compute 0.001721 is 1.5% of average load 0.118027 LDB: TIME 5848.35 LOAD: AVG 0.118027 MAX 0.20218 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.555 MB LDB: TIME 5848.35 LOAD: AVG 0.118027 MAX 0.20218 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.555 MB LDB: TIME 5848.35 LOAD: AVG 0.118027 MAX 0.20218 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.555 MB LDB: ============== END OF LOAD BALANCING =============== 5848.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 5848.36 Info: useSync: 0 useProxySync: 0 PRESSURE: 1964400 50.4976 125.932 -100.764 125.931 -62.1395 -31.4895 -100.764 -31.4906 16.5044 GPRESSURE: 1964400 70.0953 149.93 -78.268 56.0125 -60.2687 20.4872 -91.8318 -63.2956 96.1039 PRESSAVG: 1964400 29.8126 4.01094 -19.2422 4.01086 -12.3468 20.498 -19.2422 20.4979 21.9537 GPRESSAVG: 1964400 28.6114 5.41372 -18.3552 2.69041 -12.2634 21.7615 -19.1111 18.8304 23.2069 TIMING: 1964400 CPU: 5845.23, 0.00303068/step Wall: 5845.23, 0.00303068/step, 2.55554 hours remaining, 206.710938 MB of memory in use. ENERGY: 1964400 730.5745 2118.8097 1945.7009 118.3766 -206266.0134 17881.2546 0.0000 0.0000 34408.7072 -149062.5900 300.4998 -183471.2971 -148953.8879 299.9495 1.6208 35.3102 557879.6123 13.1398 13.1850 PRESSURE: 1964600 -109.687 -17.8535 -33.1476 -17.8539 274.225 -104.474 -33.148 -104.473 355.636 GPRESSURE: 1964600 -50.8224 4.79874 -13.7965 -22.7552 353.247 -36.6094 -32.179 -75.9719 319.068 PRESSAVG: 1964600 -21.0767 -11.7779 59.2052 -11.7779 -37.6423 -23.9537 59.2051 -23.9537 24.9539 GPRESSAVG: 1964600 -19.0649 -10.7505 57.7146 -11.8424 -38.8546 -25.702 59.2345 -23.0841 23.9827 TIMING: 1964600 CPU: 5845.83, 0.00300435/step Wall: 5845.83, 0.00300435/step, 2.53317 hours remaining, 206.710938 MB of memory in use. ENERGY: 1964600 752.0797 2109.3436 1939.5510 121.8678 -206857.4382 18356.3949 0.0000 0.0000 34455.9023 -149122.2990 300.9120 -183578.2013 -149024.0513 299.8654 173.3916 207.1643 556856.8828 -11.2550 -11.3123 PRESSURE: 1964800 -52.2327 70.3875 14.8286 70.3855 -13.6394 -109.105 14.829 -109.104 -88.8997 GPRESSURE: 1964800 -47.9319 154.095 -16.6906 12.1915 17.782 -185.098 16.5767 -95.4933 -32.3661 PRESSAVG: 1964800 34.3528 32.3464 33.3496 32.3463 -51.0064 -67.6316 33.3496 -67.6316 -2.85094 GPRESSAVG: 1964800 32.8477 30.3587 35.2354 33.7506 -49.4651 -67.2156 31.7932 -69.5617 -3.21067 TIMING: 1964800 CPU: 5846.43, 0.00300922/step Wall: 5846.43, 0.00300922/step, 2.53711 hours remaining, 206.710938 MB of memory in use. ENERGY: 1964800 742.1262 2121.9427 1936.5535 121.0557 -206115.2247 17859.9569 0.0000 0.0000 34247.9767 -149085.6131 299.0961 -183333.5898 -148987.2651 299.6352 -51.5906 -20.8387 558543.5916 -6.5015 -6.6093 PRESSURE: 1965000 -229.808 -8.30619 -95.2157 -8.30639 -116.009 -24.623 -95.2158 -24.6227 -228.661 GPRESSURE: 1965000 -178.444 13.3355 -136.258 -12.1063 -138.657 -25.1153 -41.0174 -56.6976 -147.438 PRESSAVG: 1965000 -50.0977 -50.7855 20.397 -50.7854 -20.3905 -59.2813 20.397 -59.2813 43.9134 GPRESSAVG: 1965000 -50.0524 -50.9169 17.1916 -50.2467 -20.5254 -57.0909 22.6947 -59.1163 44.2881 TIMING: 1965000 CPU: 5847.03, 0.00301845/step Wall: 5847.03, 0.00301845/step, 2.54472 hours remaining, 206.710938 MB of memory in use. ENERGY: 1965000 777.8230 2087.1390 1913.6832 114.7386 -205891.7919 17543.8303 0.0000 0.0000 34351.4306 -149103.1472 299.9996 -183454.5778 -149011.1110 299.9210 -191.4927 -154.8464 559094.8398 -8.8583 -8.7633 PRESSURE: 1965200 -211.72 -146.006 131.612 -146.006 -248.07 -5.55986 131.612 -5.55835 -33.2007 GPRESSURE: 1965200 -189.741 -117.184 158.064 -152.094 -189.919 -37.9804 168.283 15.9936 -15.4217 PRESSAVG: 1965200 5.85208 -38.1058 41.2727 -38.1058 -11.9213 -19.5528 41.2727 -19.5528 12.9473 GPRESSAVG: 1965200 4.68369 -38.4315 42.0335 -39.0278 -11.1695 -18.7289 41.046 -20.2229 13.611 TIMING: 1965200 CPU: 5847.63, 0.00297582/step Wall: 5847.63, 0.00297582/step, 2.50862 hours remaining, 206.710938 MB of memory in use. ENERGY: 1965200 777.6147 2117.7868 1910.5244 113.2353 -205842.9650 17576.5325 0.0000 0.0000 34270.3313 -149076.9401 299.2913 -183347.2714 -148968.9819 298.9860 -164.3301 -131.6937 557856.2487 2.2927 2.3751 PRESSURE: 1965400 -53.2379 104.389 57.728 104.389 -39.1918 -119.129 57.7263 -119.13 278.639 GPRESSURE: 1965400 -28.8135 189.78 62.1482 112.652 20.6063 -39.5376 87.9491 -133.918 302.803 PRESSAVG: 1965400 -25.9487 -86.5452 42.2437 -86.5452 7.52012 10.0255 42.2436 10.0255 -11.5405 GPRESSAVG: 1965400 -25.5002 -84.8207 42.3477 -87.808 8.57795 7.06732 41.6571 10.2561 -12.8255 TIMING: 1965400 CPU: 5848.22, 0.00295512/step Wall: 5848.22, 0.00295512/step, 2.491 hours remaining, 206.710938 MB of memory in use. ENERGY: 1965400 721.4266 2042.7028 1916.5551 114.8805 -206677.7321 18033.6187 0.0000 0.0000 34571.4036 -149277.1447 301.9207 -183848.5483 -149182.5775 299.4120 62.0697 98.1986 557140.1666 -9.9897 -9.9159 PRESSURE: 1965600 -204.668 145.568 -30.4336 145.568 -68.2682 -20.2559 -30.4338 -20.2555 -535.588 GPRESSURE: 1965600 -196.831 169.001 -109.031 133.811 -15.7594 -63.727 -27.4867 -17.9577 -484.188 PRESSAVG: 1965600 -32.7602 -29.2101 2.8832 -29.2101 94.7746 -47.8812 2.88318 -47.8812 -34.0534 GPRESSAVG: 1965600 -33.381 -30.4108 4.37174 -28.2038 93.3582 -47.4063 1.76119 -47.7333 -32.461 TIMING: 1965600 CPU: 5848.82, 0.00299312/step Wall: 5848.82, 0.00299312/step, 2.52287 hours remaining, 206.710938 MB of memory in use. ENERGY: 1965600 790.0382 2101.4195 1900.6523 100.3078 -205975.1906 17640.3611 0.0000 0.0000 34257.1895 -149185.2223 299.1766 -183442.4117 -149087.1700 299.1245 -269.5079 -232.2597 559171.3838 9.3203 9.1721 PRESSURE: 1965800 -95.3704 46.1702 -14.2767 46.171 -268.986 89.1385 -14.2769 89.1382 -105.49 GPRESSURE: 1965800 -31.1805 35.3639 -39.1954 -48.8305 -240.104 56.8938 6.424 86.7289 -95.1659 PRESSAVG: 1965800 4.68847 64.3244 -14.0824 64.3244 -15.8772 -74.1382 -14.0824 -74.1382 -42.7037 GPRESSAVG: 1965800 5.89069 65.4761 -11.4434 63.8574 -15.905 -75.4374 -15.4336 -72.1987 -44.0136 TIMING: 1965800 CPU: 5849.41, 0.0029719/step Wall: 5849.41, 0.0029719/step, 2.50481 hours remaining, 206.710938 MB of memory in use. ENERGY: 1965800 771.2349 2103.8371 1925.8466 116.0201 -206124.6918 17907.7044 0.0000 0.0000 34042.8697 -149257.1791 297.3048 -183300.0488 -149164.8087 298.8749 -156.6156 -122.1503 559295.3865 -17.9642 -18.0093 PRESSURE: 1966000 109.343 169.884 -18.8112 169.884 142.901 94.1368 -18.81 94.137 -56.2109 GPRESSURE: 1966000 119.166 80.2789 -39.0414 271.103 143.188 75.1122 -68.1022 117.432 32.5294 PRESSAVG: 1966000 66.9019 28.1671 11.1963 28.1671 -81.2278 -9.02816 11.1962 -9.0282 -22.725 GPRESSAVG: 1966000 66.7344 28.6912 9.11829 27.7491 -81.5921 -8.10884 13.1101 -12.2153 -21.6564 TIMING: 1966000 CPU: 5850.01, 0.00297069/step Wall: 5850.01, 0.00297069/step, 2.50363 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: 1966000 721.7920 2071.7765 1929.0348 116.9283 -206400.5132 17941.8576 0.0000 0.0000 34434.2467 -149184.8773 300.7228 -183619.1240 -149087.5013 298.8949 65.3444 98.2944 556949.3019 -12.3503 -12.1714 PRESSURE: 1966200 -108.697 29.8615 61.0935 29.8617 -86.8007 150.534 61.0932 150.532 72.3981 GPRESSURE: 1966200 -86.7946 -57.7997 103.728 84.4226 -43.8167 185.251 34.2278 166.146 107.23 PRESSAVG: 1966200 101.54 44.2467 5.45825 44.2467 -49.0291 53.4597 5.45826 53.4596 2.56451 GPRESSAVG: 1966200 102.619 42.23 4.88961 45.9996 -49.2677 52.2278 5.37671 54.9862 1.8391 TIMING: 1966200 CPU: 5850.6, 0.00298025/step Wall: 5850.6, 0.00298025/step, 2.51152 hours remaining, 206.710938 MB of memory in use. ENERGY: 1966200 764.8473 2131.3840 1953.4560 114.1813 -206102.8797 17863.7338 0.0000 0.0000 34164.7801 -149110.4973 298.3695 -183275.2774 -149010.7768 300.2521 -41.0334 -7.7937 557672.4036 18.3584 18.3969 PRESSURE: 1966400 62.1702 77.225 -234.577 77.225 58.181 -28.6796 -234.576 -28.6804 111.685 GPRESSURE: 1966400 105.976 -48.9698 -187.094 97.7082 1.31488 85.0166 -248.858 -110.172 210.164 PRESSAVG: 1966400 -58.8984 51.5091 -5.47578 51.5091 -5.75508 55.7077 -5.47574 55.7076 16.4608 GPRESSAVG: 1966400 -58.7616 52.9636 -6.63411 51.0034 -5.33552 56.1984 -4.9346 55.7376 15.9932 TIMING: 1966400 CPU: 5851.2, 0.00299317/step Wall: 5851.2, 0.00299317/step, 2.52224 hours remaining, 206.710938 MB of memory in use. ENERGY: 1966400 717.6559 2078.2395 1944.8694 120.1925 -205988.2218 17716.8522 0.0000 0.0000 34444.9183 -148965.4939 300.8160 -183410.4123 -148869.6548 300.1997 77.3452 105.8181 556127.8951 -16.0642 -16.0346 PRESSURE: 1966600 -1.78303 11.7325 -24.3574 11.7342 192.348 88.1647 -24.3575 88.1662 165.187 GPRESSURE: 1966600 42.4007 59.4795 -111.823 122.382 190.261 69.9463 -45.917 212.293 216.84 PRESSAVG: 1966600 62.7012 46.8395 -19.6527 46.8395 -1.96258 -18.2879 -19.6526 -18.288 -14.1511 GPRESSAVG: 1966600 61.7246 46.7241 -19.4062 46.6694 -1.78525 -18.5259 -20.0238 -17.3736 -13.3766 TIMING: 1966600 CPU: 5851.8, 0.0030094/step Wall: 5851.8, 0.0030094/step, 2.53575 hours remaining, 206.710938 MB of memory in use. ENERGY: 1966600 739.5437 2144.7867 1951.7722 114.7278 -206058.5641 17936.2410 0.0000 0.0000 34256.6010 -148914.8917 299.1714 -183171.4927 -148820.6557 299.7172 118.5838 149.8339 556243.6536 15.5291 15.5209 PRESSURE: 1966800 -115.388 -34.3627 24.4879 -34.3626 -74.6005 56.0238 24.4895 56.0256 -81.9186 GPRESSURE: 1966800 -54.2612 -15.0247 120.902 -80.5562 -55.2257 -17.3279 -55.6014 109.693 -56.6684 PRESSAVG: 1966800 -4.35734 -1.81946 -1.80133 -1.81947 -19.0995 43.4687 -1.80125 43.4688 13.9978 GPRESSAVG: 1966800 -4.75233 -0.240271 -1.32039 -2.24983 -19.0125 43.7774 -2.61324 42.0142 14.2111 TIMING: 1966800 CPU: 5852.4, 0.00300735/step Wall: 5852.4, 0.00300735/step, 2.53386 hours remaining, 206.710938 MB of memory in use. ENERGY: 1966800 697.8518 2063.4910 1908.4496 118.8062 -205433.8103 17303.2445 0.0000 0.0000 34362.1476 -148979.8196 300.0932 -183341.9672 -148879.0812 300.1349 -90.6358 -55.3851 556385.9031 -3.1530 -3.1846 PRESSURE: 1967000 -61.1234 132.115 60.3529 132.115 -274.666 66.9355 60.3518 66.9338 4.62089 GPRESSURE: 1967000 -66.6552 57.9165 104.939 169.528 -255.705 148.444 47.5245 -23.2411 81.5702 PRESSAVG: 1967000 -31.8495 15.3192 -44.7423 15.3192 11.756 42.3266 -44.7424 42.3266 -24.2442 GPRESSAVG: 1967000 -32.4469 14.5095 -45.727 15.0296 12.4458 45.0543 -43.911 42.5349 -23.7806 TIMING: 1967000 CPU: 5853.01, 0.00301273/step Wall: 5853.01, 0.00301273/step, 2.53822 hours remaining, 206.710938 MB of memory in use. ENERGY: 1967000 753.5978 2079.8572 1914.8598 108.1285 -205571.3252 17469.5274 0.0000 0.0000 34496.0148 -148749.3396 301.2623 -183245.3544 -148646.6949 300.2047 -110.3897 -80.2635 557308.2756 -14.7792 -14.5939 PRESSURE: 1967200 67.9113 12.1289 180.823 12.1306 -136.295 -196.771 180.823 -196.771 -35.1424 GPRESSURE: 1967200 104.936 -26.0378 186.01 64.4038 -124.753 -145.377 200.115 -240.119 21.0387 PRESSAVG: 1967200 23.2546 0.0240534 41.283 0.0240606 22.5025 -44.009 41.283 -44.0091 0.304813 GPRESSAVG: 1967200 23.2685 0.521569 41.8534 1.02655 21.2278 -45.5085 39.7673 -44.2747 1.4824 TIMING: 1967200 CPU: 5853.6, 0.00298505/step Wall: 5853.6, 0.00298505/step, 2.51474 hours remaining, 206.710938 MB of memory in use. ENERGY: 1967200 732.1994 2095.4670 1906.4713 103.6614 -205516.5224 17554.3350 0.0000 0.0000 34498.7347 -148625.6536 301.2860 -183124.3883 -148521.5193 300.4950 -34.5087 0.4075 557658.8649 15.3540 15.3263 PRESSURE: 1967400 -59.2007 69.0866 178.663 69.087 -70.2744 11.5759 178.663 11.5756 -118.592 GPRESSURE: 1967400 -10.0224 70.5287 153.761 33.7724 -69.6999 -13.1337 113.523 -79.5297 -86.3771 PRESSAVG: 1967400 37.6465 19.7659 -39.2041 19.7658 -28.4067 -22.6389 -39.2042 -22.639 -3.57158 GPRESSAVG: 1967400 39.379 20.7915 -38.007 18.7797 -28.0069 -25.0021 -39.4908 -24.0842 -5.59957 TIMING: 1967400 CPU: 5854.2, 0.0029979/step Wall: 5854.2, 0.0029979/step, 2.52539 hours remaining, 206.710938 MB of memory in use. ENERGY: 1967400 772.6314 2055.2929 1927.5415 122.7894 -205504.3397 17559.9220 0.0000 0.0000 34476.6964 -148589.4660 301.0936 -183066.1624 -148482.1429 301.3192 -82.6890 -55.3665 556687.8876 1.8894 1.9242 PRESSURE: 1967600 -97.3184 -164.769 70.0029 -164.77 33.1497 -59.2125 70.003 -59.2133 -77.848 GPRESSURE: 1967600 8.87105 -106.781 -7.56584 -56.3311 3.40355 -60.8279 184.595 -28.724 -59.1069 PRESSAVG: 1967600 -15.5447 33.4924 -28.1992 33.4924 56.4519 -53.0578 -28.1991 -53.0579 -27.2833 GPRESSAVG: 1967600 -16.0708 32.6656 -28.165 32.9826 56.0132 -51.123 -26.104 -51.6466 -26.4444 TIMING: 1967600 CPU: 5854.81, 0.00301102/step Wall: 5854.81, 0.00301102/step, 2.53628 hours remaining, 206.710938 MB of memory in use. ENERGY: 1967600 772.3196 2107.4432 1948.6622 112.7520 -205528.1835 17417.3438 0.0000 0.0000 34630.0879 -148539.5748 302.4332 -183169.6627 -148450.0386 301.1002 -47.3389 -15.6108 556461.4527 4.5413 4.4993 PRESSURE: 1967800 52.6423 -58.1973 -21.0133 -58.1981 -291.224 30.3782 -21.0136 30.3775 289.799 GPRESSURE: 1967800 56.5429 35.7512 42.6872 -124.426 -263.086 -39.4918 26.9887 118.895 343.272 PRESSAVG: 1967800 65.2488 -13.8075 -32.7018 -13.8075 -51.7208 -13.7224 -32.7019 -13.7224 -37.2102 GPRESSAVG: 1967800 65.1516 -15.7782 -33.2456 -8.99718 -51.3053 -13.4174 -33.4853 -14.6298 -37.3285 TIMING: 1967800 CPU: 5855.41, 0.00299445/step Wall: 5855.41, 0.00299445/step, 2.52216 hours remaining, 206.710938 MB of memory in use. ENERGY: 1967800 738.5224 2102.5278 1912.9555 113.6780 -205792.0070 17649.7439 0.0000 0.0000 34594.2045 -148680.3749 302.1198 -183274.5795 -148577.0182 301.1519 17.0725 45.5764 558572.7280 -7.8941 -7.8274 PRESSURE: 1968000 36.6753 -131.848 -138.713 -131.849 -0.605403 -20.4195 -138.712 -20.4199 -230.591 GPRESSURE: 1968000 97.497 -168.501 -104.842 -85.5203 -9.77803 -0.218684 -152.367 -84.0195 -178.811 PRESSAVG: 1968000 41.8616 6.31798 -28.4922 6.31789 -9.70602 3.22743 -28.4922 3.22741 -27.1851 GPRESSAVG: 1968000 42.2696 8.71732 -26.9644 0.905576 -10.575 3.72526 -28.9107 3.05071 -26.6515 TIMING: 1968000 CPU: 5856, 0.00299346/step Wall: 5856, 0.00299346/step, 2.52116 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: 1968000 757.1658 2121.0705 1943.5052 118.7650 -205647.0780 17496.6162 0.0000 0.0000 34418.5082 -148791.4471 300.5854 -183209.9554 -148698.0583 301.1720 -64.8404 -30.3641 556473.2141 1.6568 1.6810 PRESSURE: 1968200 -127.155 -15.4387 198.885 -15.4397 -44.4683 -12.7122 198.885 -12.713 -21.1112 GPRESSURE: 1968200 -54.4194 -5.48577 206.098 -9.05419 -58.2951 -83.6507 178.702 38.0508 6.93485 PRESSAVG: 1968200 -9.92905 -5.24046 25.9345 -5.24039 15.2272 14.3426 25.9346 14.3425 35.0673 GPRESSAVG: 1968200 -10.0879 -5.57095 24.2891 -1.68945 15.8628 12.2617 25.6477 14.892 34.6716 TIMING: 1968200 CPU: 5856.61, 0.00300731/step Wall: 5856.61, 0.00300731/step, 2.53265 hours remaining, 206.710938 MB of memory in use. ENERGY: 1968200 730.0601 2078.2057 1940.4263 113.2211 -205742.1301 17655.7708 0.0000 0.0000 34265.8682 -148958.5778 299.2523 -183224.4460 -148865.5103 300.5144 -64.2448 -35.2599 557346.1513 13.4552 13.4822 LDB: ============= START OF LOAD BALANCING ============== 5860.03 LDB: ============== END OF LOAD BALANCING =============== 5860.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5860.03 LDB: ============= START OF LOAD BALANCING ============== 5860.33 LDB: Largest compute 4821 load 0.027174 is 23.0% of average load 0.118008 LDB: Average compute 0.001724 is 1.5% of average load 0.118008 LDB: TIME 5860.33 LOAD: AVG 0.118008 MAX 0.200134 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 5860.33 LOAD: AVG 0.118008 MAX 0.200134 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: TIME 5860.33 LOAD: AVG 0.118008 MAX 0.200134 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5860.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5860.34 PRESSURE: 1968400 -59.5714 -30.5442 53.4438 -30.5439 99.2219 -49.1958 53.4448 -49.1959 403.266 GPRESSURE: 1968400 -31.6575 -76.6344 113.91 36.4547 141.544 -86.6105 -61.2022 -93.5033 426.931 PRESSAVG: 1968400 -104.621 -31.8479 54.9441 -31.8479 111.449 34.2748 54.9441 34.2747 7.51926 GPRESSAVG: 1968400 -104.652 -34.6136 55.2772 -33.6621 112.126 35.4803 56.1931 34.5389 6.8311 TIMING: 1968400 CPU: 5857.21, 0.00302689/step Wall: 5857.21, 0.00302689/step, 2.54897 hours remaining, 206.128906 MB of memory in use. ENERGY: 1968400 720.8462 2015.6395 1945.0488 115.3216 -206458.6854 18168.8835 0.0000 0.0000 34411.8708 -149081.0750 300.5274 -183492.9459 -148985.8657 299.7596 147.6388 178.9392 557296.0344 4.7825 4.7686 PRESSURE: 1968600 -59.327 2.59497 110.972 2.59519 397.891 238.795 110.972 238.796 55.024 GPRESSURE: 1968600 -69.4666 40.1845 180.561 -84.1565 472.342 301.146 109.01 210.212 81.3168 PRESSAVG: 1968600 -44.2889 1.51404 29.476 1.51411 27.9628 43.737 29.4761 43.7372 -7.82872 GPRESSAVG: 1968600 -43.7107 3.80617 28.6458 2.01277 27.5784 43.8151 29.7034 45.5458 -7.27778 TIMING: 1968600 CPU: 5857.8, 0.00296851/step Wall: 5857.8, 0.00296851/step, 2.49965 hours remaining, 206.332031 MB of memory in use. ENERGY: 1968600 688.1016 2102.7979 1949.0568 115.8723 -206125.4059 17869.2651 0.0000 0.0000 34297.7593 -149102.5528 299.5309 -183400.3121 -148998.2997 298.9515 131.1959 161.3975 556142.3781 -8.0516 -7.8033 PRESSURE: 1968800 159.563 82.4535 152.167 82.4552 -170.554 -8.91949 152.168 -8.92062 -78.2758 GPRESSURE: 1968800 165.255 3.92071 119.394 40.5015 -105.334 45.13 167.14 -54.507 -55.8248 PRESSAVG: 1968800 26.5602 3.83585 75.5308 3.83584 -46.7124 -14.3813 75.5309 -14.3814 2.33439 GPRESSAVG: 1968800 26.0458 3.45407 77.3708 3.4774 -46.359 -17.5931 74.1423 -15.1751 2.19037 TIMING: 1968800 CPU: 5858.4, 0.00296996/step Wall: 5858.4, 0.00296996/step, 2.5007 hours remaining, 206.332031 MB of memory in use. ENERGY: 1968800 682.1429 2066.9414 1949.8706 109.2338 -205917.0807 17594.4214 0.0000 0.0000 34386.1628 -149128.3078 300.3029 -183514.4706 -149027.2166 299.9315 -29.7557 1.3654 557323.2664 -5.9393 -6.0410 PRESSURE: 1969000 81.1861 -10.0236 43.0355 -10.0243 -38.5491 -88.2688 43.0378 -88.2677 98.4199 GPRESSURE: 1969000 109.837 -17.8056 48.4015 28.6088 43.6702 -195.647 12.7921 -120.446 85.294 PRESSAVG: 1969000 0.42827 -26.0529 -16.7582 -26.0529 6.69583 -17.0287 -16.7581 -17.0287 12.2515 GPRESSAVG: 1969000 1.54219 -24.8146 -17.7071 -25.5217 5.51465 -14.1076 -15.5948 -17.3972 12.1695 TIMING: 1969000 CPU: 5858.99, 0.00296336/step Wall: 5858.99, 0.00296336/step, 2.49498 hours remaining, 206.332031 MB of memory in use. ENERGY: 1969000 729.6923 2109.4222 1939.0950 100.7735 -206366.8081 17929.2145 0.0000 0.0000 34411.7738 -149146.8368 300.5266 -183558.6106 -149051.9016 299.7065 47.0190 79.6003 557275.7192 6.4585 6.4088 PRESSURE: 1969200 -22.187 51.6466 95.3981 51.646 -134.215 -161.852 95.3965 -161.852 108.741 GPRESSURE: 1969200 -8.31389 45.0674 7.93963 38.1225 -107.36 -205.951 155.046 -241.67 166.196 PRESSAVG: 1969200 -18.2788 -37.4919 19.9542 -37.4919 -6.36482 -38.053 19.9542 -38.0529 29.4105 GPRESSAVG: 1969200 -19.2881 -37.572 19.3892 -38.0392 -5.12056 -36.2314 20.0686 -38.4881 29.2152 TIMING: 1969200 CPU: 5859.58, 0.00294617/step Wall: 5859.58, 0.00294617/step, 2.48035 hours remaining, 206.332031 MB of memory in use. ENERGY: 1969200 765.9639 2128.8360 1961.9070 125.8402 -206100.1387 17879.6691 0.0000 0.0000 34313.0989 -148924.8235 299.6648 -183237.9224 -148830.4074 299.8491 -15.8870 16.8408 556994.8058 1.5890 1.6022 PRESSURE: 1969400 158.195 -111.941 -12.307 -111.942 -144.164 41.8168 -12.307 41.8173 105.164 GPRESSURE: 1969400 144.47 -105.773 3.32023 -170.537 -104.57 61.2842 -20.4817 150.355 173.312 PRESSAVG: 1969400 -36.2807 10.2251 -5.85628 10.2252 16.7887 -27.9019 -5.85623 -27.9018 69.9168 GPRESSAVG: 1969400 -36.0585 9.69894 -4.41872 9.6134 16.7258 -30.2677 -8.01381 -25.9498 69.6852 TIMING: 1969400 CPU: 5860.17, 0.00297222/step Wall: 5860.17, 0.00297222/step, 2.50212 hours remaining, 206.332031 MB of memory in use. ENERGY: 1969400 749.3062 2053.9815 1951.8219 117.7862 -205799.4089 17650.6857 0.0000 0.0000 34394.0682 -148881.7591 300.3720 -183275.8273 -148782.7841 300.1113 39.7317 71.0709 556457.6244 16.8083 16.7841 PRESSURE: 1969600 -43.1781 33.177 -42.161 33.1765 162.671 24.3313 -42.1604 24.3296 -111.653 GPRESSURE: 1969600 15.7448 41.057 -10.6059 -10.7181 142.807 0.746795 -3.00433 50.8407 -57.6072 PRESSAVG: 1969600 -11.0456 -1.9041 0.797876 -1.90421 51.0786 -36.9122 0.797877 -36.9123 -76.9331 GPRESSAVG: 1969600 -11.8519 -2.16642 0.459365 -0.449043 50.6022 -36.203 -0.0790546 -38.1878 -75.2567 TIMING: 1969600 CPU: 5860.77, 0.00299074/step Wall: 5860.77, 0.00299074/step, 2.51754 hours remaining, 206.332031 MB of memory in use. ENERGY: 1969600 738.9335 2118.1603 1954.9569 100.2793 -205753.1489 17662.8607 0.0000 0.0000 34348.9080 -148829.0502 299.9776 -183177.9582 -148731.9207 300.3704 2.6131 33.6482 557328.3919 -12.3001 -12.1688 PRESSURE: 1969800 -81.2034 18.4948 -37.68 18.4943 -199.112 192.474 -37.6803 192.474 -113.826 GPRESSURE: 1969800 -43.9128 22.1828 -102.887 -42.36 -174.928 235.378 -27.7795 129.212 -84.4475 PRESSAVG: 1969800 34.3927 -24.9678 77.4801 -24.9679 47.4532 -19.2267 77.4801 -19.2266 -27.3682 GPRESSAVG: 1969800 33.4638 -25.2175 75.4355 -27.2189 46.9599 -18.9916 79.5529 -19.5456 -26.1751 TIMING: 1969800 CPU: 5861.37, 0.00296557/step Wall: 5861.37, 0.00296557/step, 2.49619 hours remaining, 206.332031 MB of memory in use. ENERGY: 1969800 759.0366 2078.4782 1922.2567 106.3273 -205745.1257 17646.1506 0.0000 0.0000 34232.6231 -149000.2533 298.9620 -183232.8765 -148906.6202 299.8450 -131.3804 -101.0959 558584.9945 18.1593 18.0829 PRESSURE: 1970000 106.609 -96.8252 -206.466 -96.8249 -144.329 29.4929 -206.465 29.4945 -159.142 GPRESSURE: 1970000 142.202 -151.413 -233.544 22.8158 -72.9593 30.9551 -203.445 51.2025 -165.735 PRESSAVG: 1970000 0.864486 27.1745 -8.25622 27.1745 53.4428 53.5723 -8.25614 53.5722 -47.6942 GPRESSAVG: 1970000 1.93914 26.1722 -6.64896 28.893 55.0884 52.3315 -8.97932 54.7939 -50.1504 TIMING: 1970000 CPU: 5861.96, 0.00299514/step Wall: 5861.96, 0.00299514/step, 2.52091 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: 1970000 749.0295 2057.5831 1937.9509 120.0097 -205697.4255 17702.4338 0.0000 0.0000 34184.6711 -148945.7475 298.5432 -183130.4186 -148847.6077 299.6164 -65.6208 -32.1640 558158.3113 2.2044 2.2924 PRESSURE: 1970200 167.324 -24.9286 -63.4696 -24.9282 176.59 -147.749 -63.4689 -147.75 134.766 GPRESSURE: 1970200 155.948 61.6036 -70.432 -46.3788 180.662 -90.2536 -18.6263 -168.528 228.296 PRESSAVG: 1970200 3.78176 1.82343 -32.4088 1.82351 37.2743 -26.8221 -32.4089 -26.8222 -57.5735 GPRESSAVG: 1970200 2.95373 3.46837 -32.8381 2.76641 36.3336 -27.5098 -33.1773 -27.3521 -56.1626 TIMING: 1970200 CPU: 5862.57, 0.00302002/step Wall: 5862.57, 0.00302002/step, 2.54168 hours remaining, 206.332031 MB of memory in use. ENERGY: 1970200 750.5612 2071.2576 1949.6133 111.3855 -206299.6657 18066.8422 0.0000 0.0000 34311.0712 -149038.9347 299.6471 -183350.0059 -148943.2048 299.7168 159.5603 188.3022 556548.2993 -5.5058 -5.6251 PRESSURE: 1970400 16.8077 -90.6502 4.53285 -90.6511 -10.8719 33.072 4.53242 33.0734 232.116 GPRESSURE: 1970400 101.566 14.5284 -57.3624 -70.6067 20.574 -23.6961 -5.14834 58.0473 226.083 PRESSAVG: 1970400 -29.1265 -35.4245 -37.0057 -35.4245 65.1978 1.93193 -37.0057 1.93191 -31.5407 GPRESSAVG: 1970400 -28.5052 -35.8061 -36.9884 -35.6922 65.1267 3.90488 -36.6721 0.713538 -31.886 TIMING: 1970400 CPU: 5863.17, 0.00299773/step Wall: 5863.17, 0.00299773/step, 2.52276 hours remaining, 206.332031 MB of memory in use. ENERGY: 1970400 700.1070 2165.3819 1921.3674 105.6585 -206416.6679 17960.3666 0.0000 0.0000 34246.4843 -149317.3023 299.0831 -183563.7866 -149223.3306 299.1294 79.3505 116.0743 557497.3105 1.5102 1.5785 PRESSURE: 1970600 -29.9317 103.258 -25.8625 103.258 72.2579 -20.1265 -25.8606 -20.1287 -181.488 GPRESSURE: 1970600 13.6022 59.6008 -66.4305 100.825 124.477 -108.77 -39.9717 -2.5187 -190.561 PRESSAVG: 1970600 29.537 -31.5919 -12.0558 -31.5919 -11.3812 -36.03 -12.0557 -36.03 -48.6761 GPRESSAVG: 1970600 29.7143 -30.2008 -10.7129 -32.016 -11.6413 -37.4984 -10.7814 -33.7452 -49.0379 TIMING: 1970600 CPU: 5863.77, 0.00299119/step Wall: 5863.77, 0.00299119/step, 2.51708 hours remaining, 206.332031 MB of memory in use. ENERGY: 1970600 746.0027 2063.0231 1958.0954 109.4885 -206057.5801 17777.7531 0.0000 0.0000 34174.0290 -149229.1884 298.4503 -183403.2174 -149142.9651 298.6907 -46.3871 -17.4938 559538.2760 -10.1734 -10.3217 PRESSURE: 1970800 242.786 -20.9858 -31.406 -20.9864 127.396 12.9188 -31.406 12.9186 -193.774 GPRESSURE: 1970800 240.564 -117.225 -75.3957 -46.2693 158.289 -54.3207 0.99843 12.2674 -124.504 PRESSAVG: 1970800 26.624 37.2265 15.0802 37.2265 -5.96186 -47.176 15.0803 -47.1761 -33.1861 GPRESSAVG: 1970800 26.4264 35.5447 14.4044 37.3342 -5.59033 -45.6593 13.9826 -48.4196 -33.3213 TIMING: 1970800 CPU: 5864.36, 0.00297794/step Wall: 5864.36, 0.00297794/step, 2.50577 hours remaining, 206.332031 MB of memory in use. ENERGY: 1970800 742.9508 2094.0486 1954.1128 112.3698 -206215.5682 18007.5567 0.0000 0.0000 34198.3275 -149106.2019 298.6625 -183304.5294 -149014.2069 298.8548 58.8027 91.4496 558321.2487 -4.1747 -4.1618 PRESSURE: 1971000 90.3487 88.2559 -10.8875 88.2556 -133.383 44.6624 -10.887 44.6623 155.068 GPRESSURE: 1971000 158.029 96.9406 -64.195 39.5895 -143.687 104.062 -10.8493 96.006 185.27 PRESSAVG: 1971000 -68.0362 70.288 -37.1555 70.2881 32.6764 51.9791 -37.1555 51.9789 22.6098 GPRESSAVG: 1971000 -66.4011 70.1318 -36.4989 68.397 31.8719 51.7737 -36.7234 52.6164 22.0296 TIMING: 1971000 CPU: 5864.96, 0.00299003/step Wall: 5864.96, 0.00299003/step, 2.51578 hours remaining, 206.332031 MB of memory in use. ENERGY: 1971000 788.4954 2052.5588 1927.8259 108.9126 -206025.0420 17908.5140 0.0000 0.0000 34145.5074 -149093.2278 298.2012 -183238.7352 -149001.3141 299.3295 37.3444 66.5373 558285.8363 -4.2500 -4.1665 PRESSURE: 1971200 38.5228 -36.4645 202.645 -36.4647 272.953 -156.954 202.645 -156.954 124.704 GPRESSURE: 1971200 78.8732 -77.2693 227.2 -2.23132 297.421 -195.656 125.531 -194.373 148.789 PRESSAVG: 1971200 30.4692 -0.663101 14.2945 -0.663198 -49.0281 30.1882 14.2945 30.1882 16.9128 GPRESSAVG: 1971200 30.0102 -1.09185 14.5458 0.88953 -49.2828 29.1839 12.0695 28.9405 17.0973 TIMING: 1971200 CPU: 5865.56, 0.00298095/step Wall: 5865.56, 0.00298095/step, 2.50797 hours remaining, 206.332031 MB of memory in use. ENERGY: 1971200 709.7361 2069.9371 1945.5644 106.4370 -206455.2074 18089.8926 0.0000 0.0000 34574.5414 -148959.0987 301.9481 -183533.6401 -148856.3190 300.2142 145.3930 175.0277 557136.1118 -0.5487 -0.7251 PRESSURE: 1971400 200.864 23.7108 118.162 23.7107 277.108 18.1872 118.161 18.1868 284.175 GPRESSURE: 1971400 267.815 92.9414 151.697 -38.7103 292.634 -36.5719 72.1585 9.20765 296.959 PRESSAVG: 1971400 9.19736 -2.23874 34.0116 -2.23874 -23.562 4.8675 34.0115 4.8674 -7.82495 GPRESSAVG: 1971400 8.64254 -1.50629 33.3489 -0.622529 -24.4716 3.12457 34.0041 5.08697 -6.57241 TIMING: 1971400 CPU: 5866.15, 0.0029914/step Wall: 5866.15, 0.0029914/step, 2.5166 hours remaining, 206.332031 MB of memory in use. ENERGY: 1971400 749.4078 2056.2555 1941.9330 110.6229 -206239.4543 17967.8107 0.0000 0.0000 34399.0865 -149014.3378 300.4158 -183413.4243 -148907.6661 299.8943 254.0488 285.8026 555452.9907 -7.3965 -7.4672 PRESSURE: 1971600 67.425 139.763 -105.465 139.763 -139.923 91.3891 -105.466 91.388 -311.953 GPRESSURE: 1971600 70.7187 140.815 -132.566 95.6041 -118.626 134.883 -123.48 172.269 -244.161 PRESSAVG: 1971600 34.5772 -36.7918 37.7792 -36.7919 -19.0258 -62.4918 37.7793 -62.4918 20.7522 GPRESSAVG: 1971600 33.8367 -35.2337 37.1186 -41.0519 -18.162 -60.7873 38.8002 -63.0897 20.7129 TIMING: 1971600 CPU: 5866.75, 0.0029907/step Wall: 5866.75, 0.0029907/step, 2.51584 hours remaining, 206.332031 MB of memory in use. ENERGY: 1971600 775.7018 2096.6735 1948.9604 111.4001 -205927.4636 17660.0567 0.0000 0.0000 34318.7710 -149015.9001 299.7144 -183334.6711 -148914.0362 299.4535 -128.1502 -97.3559 558454.5798 12.1012 12.1292 PRESSURE: 1971800 -44.0171 78.6599 -32.3539 78.6596 -192.23 50.7804 -32.3533 50.7796 -332.012 GPRESSURE: 1971800 -5.70087 135.594 -31.0888 98.8702 -173.984 -16.9782 -25.4014 99.7439 -294.095 PRESSAVG: 1971800 10.7207 -12.7145 20.6092 -12.7146 91.9692 -24.92 20.6092 -24.92 -72.2423 GPRESSAVG: 1971800 10.9729 -14.1973 19.3567 -8.94116 92.7099 -27.0002 22.8067 -22.8997 -72.8913 TIMING: 1971800 CPU: 5867.35, 0.00298176/step Wall: 5867.35, 0.00298176/step, 2.50816 hours remaining, 206.332031 MB of memory in use. ENERGY: 1971800 771.9979 2080.1294 1956.6535 115.1382 -205738.4804 17379.3117 0.0000 0.0000 34241.9321 -149193.3176 299.0433 -183435.2498 -149090.6786 300.2433 -189.4197 -157.9266 558902.8188 10.1492 10.2638 PRESSURE: 1972000 96.3814 -74.8006 148.857 -74.7995 -115.444 168.285 148.858 168.287 104.363 GPRESSURE: 1972000 186.572 -63.9972 31.8531 -114.223 -96.9201 25.3233 220.984 214.601 91.4395 PRESSAVG: 1972000 26.2233 -19.2549 8.21143 -19.2549 -65.0865 -16.2678 8.21145 -16.2678 5.54177 GPRESSAVG: 1972000 26.7064 -18.0882 10.225 -20.1203 -65.6789 -16.8493 4.90924 -17.0683 6.19186 TIMING: 1972000 CPU: 5867.95, 0.00298719/step Wall: 5867.95, 0.00298719/step, 2.51256 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: 1972000 722.3023 2118.5708 1937.4581 100.8099 -206513.1687 18045.9238 0.0000 0.0000 34438.5157 -149149.5880 300.7601 -183588.1038 -149048.9993 298.9841 28.4335 60.3637 556837.6397 -11.1072 -10.9269 PRESSURE: 1972200 58.5607 -41.1 -150.983 -41.0982 28.6942 -8.07684 -150.983 -8.07985 -315.202 GPRESSURE: 1972200 127.416 -81.2179 -191.367 -64.2288 54.6126 93.5144 -69.2659 -39.5637 -317.227 PRESSAVG: 1972200 95.2702 -38.0009 17.4253 -38.0009 -48.2427 9.81305 17.4252 9.8131 -68.7495 GPRESSAVG: 1972200 95.1942 -38.7413 17.2009 -37.2833 -48.8179 13.0488 19.7832 10.3544 -67.8524 TIMING: 1972200 CPU: 5868.54, 0.00298909/step Wall: 5868.54, 0.00298909/step, 2.51399 hours remaining, 206.332031 MB of memory in use. ENERGY: 1972200 782.8212 2089.8291 1919.0760 128.0060 -206236.6268 17768.9865 0.0000 0.0000 34283.3738 -149264.5341 299.4052 -183547.9079 -149173.3763 299.4441 -75.9825 -45.0661 556311.4253 -7.2406 -7.1587 LDB: ============= START OF LOAD BALANCING ============== 5871.97 LDB: ============== END OF LOAD BALANCING =============== 5871.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5871.97 LDB: ============= START OF LOAD BALANCING ============== 5872.27 LDB: Largest compute 4821 load 0.027198 is 23.0% of average load 0.118056 LDB: Average compute 0.001729 is 1.5% of average load 0.118056 LDB: TIME 5872.28 LOAD: AVG 0.118056 MAX 0.203958 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 5872.28 LOAD: AVG 0.118056 MAX 0.203958 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: TIME 5872.28 LOAD: AVG 0.118056 MAX 0.203958 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5872.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5872.28 PRESSURE: 1972400 163.226 -34.6654 -89.4726 -34.6647 78.7408 10.2448 -89.4729 10.2455 -93.2224 GPRESSURE: 1972400 178.341 -69.8092 -120.028 -68.7793 121.436 23.0799 -70.7472 103.706 -56.634 PRESSAVG: 1972400 34.3919 -78.0129 5.77087 -78.0128 75.4114 -42.9232 5.77089 -42.9233 -89.8235 GPRESSAVG: 1972400 34.7998 -78.2011 4.41329 -78.6472 75.9109 -44.5334 5.76812 -42.0166 -91.119 TIMING: 1972400 CPU: 5869.15, 0.00304702/step Wall: 5869.15, 0.00304702/step, 2.56254 hours remaining, 206.453125 MB of memory in use. ENERGY: 1972400 782.7281 2087.9277 1946.3671 116.3808 -206309.7247 18042.2968 0.0000 0.0000 34266.0188 -149068.0053 299.2537 -183334.0241 -148968.6342 300.0090 49.5815 81.0476 557046.7328 6.6600 6.5306 PRESSURE: 1972600 236.311 0.577643 35.68 0.577253 -14.7932 -223.534 35.6802 -223.535 257.277 GPRESSURE: 1972600 263.429 -115.227 2.13774 34.944 53.9563 -303.311 -10.9862 -196.698 264.773 PRESSAVG: 1972600 61.4124 -27.6451 -41.7117 -27.6451 -30.8961 -90.0859 -41.7117 -90.0858 -53.7453 GPRESSAVG: 1972600 61.4238 -28.9589 -40.396 -25.261 -32.0286 -88.6884 -40.7807 -92.0274 -53.5002 TIMING: 1972600 CPU: 5869.75, 0.00299877/step Wall: 5869.75, 0.00299877/step, 2.5218 hours remaining, 206.453125 MB of memory in use. ENERGY: 1972600 723.1465 2081.3183 1955.0693 124.5077 -206516.5707 18112.2355 0.0000 0.0000 34478.4057 -149041.8876 301.1085 -183520.2933 -148940.8898 299.5988 159.5984 194.0527 557141.1466 -7.7430 -8.0350 PRESSURE: 1972800 211.132 -83.3198 -93.959 -83.3191 -239.519 -1.01394 -93.9589 -1.01489 -165.739 GPRESSURE: 1972800 218.275 -82.512 -96.8245 55.8643 -167.624 48.7567 -64.0285 -7.72492 -148.739 PRESSAVG: 1972800 -15.0858 31.1175 -0.784825 31.1175 70.8288 -85.0416 -0.784836 -85.0417 -31.6309 GPRESSAVG: 1972800 -14.4761 33.2906 -1.71715 29.7241 71.2024 -85.344 -2.41341 -85.4095 -32.2372 TIMING: 1972800 CPU: 5870.35, 0.00299467/step Wall: 5870.35, 0.00299467/step, 2.51818 hours remaining, 206.453125 MB of memory in use. ENERGY: 1972800 728.7370 2101.0386 1934.9960 126.4476 -206187.4008 17880.9487 0.0000 0.0000 34225.4200 -149189.8130 298.8991 -183415.2330 -149093.7613 299.7732 -64.7086 -32.6961 560309.1109 8.0374 8.1630 PRESSURE: 1973000 -129.025 -41.7434 140.102 -41.7419 -163.937 42.8579 140.103 42.858 -32.1836 GPRESSURE: 1973000 -153.329 -77.3574 65.3219 -65.3784 -119.411 9.82107 244.399 82.6914 52.0767 PRESSAVG: 1973000 35.4599 1.44131 12.2129 1.44132 24.7251 -18.1167 12.213 -18.1166 -36.6426 GPRESSAVG: 1973000 34.3008 1.93001 10.9419 0.00575244 25.8508 -17.0902 11.9502 -18.523 -36.851 TIMING: 1973000 CPU: 5870.96, 0.00301352/step Wall: 5870.96, 0.00301352/step, 2.53387 hours remaining, 206.453125 MB of memory in use. ENERGY: 1973000 756.4197 2074.3727 1965.8128 107.3975 -206294.2418 17730.0394 0.0000 0.0000 34506.7544 -149153.4453 301.3561 -183660.1998 -149060.0554 299.6188 -108.3820 -73.5544 557706.8398 7.8475 7.7669 PRESSURE: 1973200 -9.69503 131.034 97.3475 131.034 -82.0573 74.1445 97.3482 74.1447 9.54486 GPRESSURE: 1973200 66.914 109.06 114.895 223.695 -33.3092 41.7747 110.279 61.3992 -3.94166 PRESSAVG: 1973200 13.4422 12.6594 35.3488 12.6595 13.1489 12.5691 35.3488 12.5691 -12.0637 GPRESSAVG: 1973200 14.6698 9.18941 36.1272 13.6182 12.2905 11.8114 35.5131 12.8799 -12.0732 TIMING: 1973200 CPU: 5871.55, 0.00298082/step Wall: 5871.55, 0.00298082/step, 2.50621 hours remaining, 206.453125 MB of memory in use. ENERGY: 1973200 709.1196 2080.8169 1921.2098 123.8942 -206221.7416 17846.2076 0.0000 0.0000 34298.6158 -149241.8777 299.5383 -183540.4935 -149144.4770 298.9490 -27.4025 9.8877 558229.9376 4.8424 4.9623 PRESSURE: 1973400 -114.743 -178.627 147.749 -178.625 -300.9 -94.4977 147.749 -94.4971 -368.342 GPRESSURE: 1973400 -56.3923 -176.329 227.261 -243.28 -289.932 23.4208 34.9784 -138.082 -332.283 PRESSAVG: 1973400 -23.4782 -10.4944 58.0437 -10.4944 9.25784 5.22575 58.0437 5.22562 37.2287 GPRESSAVG: 1973400 -23.966 -8.33135 59.4023 -13.1562 9.62027 6.12849 57.5638 5.46096 37.3226 TIMING: 1973400 CPU: 5872.15, 0.00300075/step Wall: 5872.15, 0.00300075/step, 2.52279 hours remaining, 206.453125 MB of memory in use. ENERGY: 1973400 728.8876 2071.0702 1952.6629 126.3286 -205773.2291 17529.5587 0.0000 0.0000 34127.3020 -149237.4190 298.0422 -183364.7210 -149140.1578 298.9081 -261.3283 -226.2023 558813.8514 7.6695 7.6589 PRESSURE: 1973600 145.983 16.3791 129.475 16.3802 56.5569 -67.9395 129.475 -67.9401 1.29527 GPRESSURE: 1973600 127.474 157.263 170.503 -18.9175 130.265 -90.7237 22.3385 -50.8376 43.4207 PRESSAVG: 1973600 -8.02194 -22.3463 78.2157 -22.3463 -26.1946 -14.2612 78.2158 -14.2613 15.3618 GPRESSAVG: 1973600 -9.58451 -23.312 79.0582 -20.86 -25.5722 -16.3613 76.2257 -13.3545 15.7417 TIMING: 1973600 CPU: 5872.75, 0.00298955/step Wall: 5872.75, 0.00298955/step, 2.51322 hours remaining, 206.453125 MB of memory in use. ENERGY: 1973600 763.1960 2083.9165 1936.2778 104.0017 -206503.9703 18069.8166 0.0000 0.0000 34002.2517 -149544.5100 296.9501 -183546.7617 -149450.5984 298.6578 67.9449 100.3864 557801.3023 -6.2849 -6.4717 PRESSURE: 1973800 37.0298 31.8532 6.46666 31.8527 235.025 46.8057 6.4664 46.806 -69.8824 GPRESSURE: 1973800 90.8634 72.5782 22.3058 7.85804 208.994 47.3987 -41.9436 142.505 9.11816 PRESSAVG: 1973800 27.8677 -58.1663 24.4111 -58.1663 27.7892 -34.4227 24.411 -34.4227 -6.64269 GPRESSAVG: 1973800 28.931 -56.1832 23.6765 -57.2705 26.3082 -31.9763 25.147 -35.453 -6.52879 TIMING: 1973800 CPU: 5873.35, 0.0029925/step Wall: 5873.35, 0.0029925/step, 2.51553 hours remaining, 206.453125 MB of memory in use. ENERGY: 1973800 724.6492 2094.9047 1960.2146 113.9023 -206622.7999 18153.0462 0.0000 0.0000 33888.9486 -149687.1343 295.9606 -183576.0829 -149590.5648 297.9788 67.3907 102.9919 558470.8832 16.3381 16.2368 PRESSURE: 1974000 236.037 -92.1405 -328.816 -92.1396 120.262 -286.137 -328.816 -286.136 -75.4548 GPRESSURE: 1974000 264.555 -42.5087 -338.797 -57.2636 173.076 -224.817 -336.625 -225.038 -56.3166 PRESSAVG: 1974000 12.7687 -60.1445 -15.9863 -60.1445 90.6912 -26.5483 -15.9862 -26.5482 -66.6977 GPRESSAVG: 1974000 12.779 -60.8704 -17.2393 -60.4788 91.8628 -28.7263 -13.3139 -26.3577 -67.4717 TIMING: 1974000 CPU: 5873.94, 0.00296614/step Wall: 5873.94, 0.00296614/step, 2.49321 hours remaining, 206.453125 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: 1974000 717.8901 2116.7455 1917.6751 100.9886 -206533.5320 17998.0772 0.0000 0.0000 33983.7911 -149698.3644 296.7889 -183682.1555 -149607.5482 297.7307 93.6148 127.1049 557759.0970 12.2541 12.3901 PRESSURE: 1974200 93.915 -110.503 -172.847 -110.503 14.7668 -110.146 -172.845 -110.146 298.839 GPRESSURE: 1974200 135.11 -7.18013 -93.898 -132.046 37.7749 -90.7564 -186.576 -126.273 343.837 PRESSAVG: 1974200 -62.0984 -3.0789 -29.445 -3.07891 92.1482 -13.6787 -29.4449 -13.6787 -57.0585 GPRESSAVG: 1974200 -63.0367 -4.39007 -30.4807 -2.00044 92.9384 -13.0703 -29.8152 -14.378 -57.1944 TIMING: 1974200 CPU: 5874.54, 0.00298715/step Wall: 5874.54, 0.00298715/step, 2.5107 hours remaining, 206.453125 MB of memory in use. ENERGY: 1974200 716.8928 2077.6405 1933.9313 107.0074 -206777.9085 18065.4574 0.0000 0.0000 34124.1755 -149752.8036 298.0149 -183876.9791 -149663.3732 297.3622 135.8402 172.2405 556600.3849 -9.0029 -9.0976 PRESSURE: 1974400 256.991 -83.4827 -38.9101 -83.4841 34.8274 -99.2751 -38.9096 -99.2739 54.3147 GPRESSURE: 1974400 228.379 47.9642 -15.0298 -78.9143 79.3659 -98.4397 -34.9505 -67.0729 140.376 PRESSAVG: 1974400 2.85106 16.4263 -46.0345 16.4263 -9.04743 9.63023 -46.0345 9.63025 20.5641 GPRESSAVG: 1974400 3.21786 17.4755 -45.4383 16.6056 -9.40171 10.5096 -44.5971 10.2149 20.4062 TIMING: 1974400 CPU: 5875.14, 0.002999/step Wall: 5875.14, 0.002999/step, 2.5205 hours remaining, 206.453125 MB of memory in use. ENERGY: 1974400 718.3383 2069.4626 1929.3847 105.0456 -206786.7584 18148.8535 0.0000 0.0000 34027.9065 -149787.7672 297.1742 -183815.6737 -149693.6701 297.9538 115.3778 149.3736 557078.9822 4.7892 4.7408 PRESSURE: 1974600 -225.117 51.8962 -193.966 51.8958 -57.8566 75.5372 -193.965 75.5378 13.7419 GPRESSURE: 1974600 -172.62 52.7009 -159.562 -18.0155 -69.6644 88.0471 -177.669 59.4514 49.5937 PRESSAVG: 1974600 75.1205 -62.5113 -52.2758 -62.5113 23.4144 44.0169 -52.2757 44.017 -59.9902 GPRESSAVG: 1974600 73.2785 -64.4701 -52.6637 -62.4704 22.706 41.8673 -52.2777 43.7525 -57.616 TIMING: 1974600 CPU: 5875.73, 0.00295918/step Wall: 5875.73, 0.00295918/step, 2.48686 hours remaining, 206.453125 MB of memory in use. ENERGY: 1974600 725.7149 2080.3733 1944.8896 107.5829 -205700.1808 17445.2495 0.0000 0.0000 33969.5764 -149426.7943 296.6648 -183396.3707 -149332.8544 297.4066 -89.7438 -64.2302 558373.0980 12.8482 12.7895 PRESSURE: 1974800 2.92397 61.3915 -116.057 61.3917 -143.765 32.7015 -116.057 32.7019 -102.914 GPRESSURE: 1974800 9.44665 24.8598 31.0774 53.9387 -109.684 -29.8127 -211.304 -1.33775 -45.0745 PRESSAVG: 1974800 -14.4925 43.8397 -44.4817 43.8396 -36.1514 25.1033 -44.4817 25.1033 31.8701 GPRESSAVG: 1974800 -13.0733 44.5156 -44.8443 40.9287 -36.2635 25.9589 -46.2057 24.9069 30.8052 TIMING: 1974800 CPU: 5876.32, 0.00296763/step Wall: 5876.32, 0.00296763/step, 2.49379 hours remaining, 206.453125 MB of memory in use. ENERGY: 1974800 782.8687 2071.1017 1928.0917 118.7674 -206324.7222 17899.2508 0.0000 0.0000 34112.7823 -149411.8596 297.9154 -183524.6419 -149318.4446 298.6306 -81.2518 -48.4372 556726.8852 -6.2579 -6.1772 PRESSURE: 1975000 8.32458 122.337 -97.1933 122.337 -23.7437 -41.4396 -97.1925 -41.4395 -22.5569 GPRESSURE: 1975000 -20.8336 69.9878 -116.691 76.2828 -10.9416 -19.9292 0.969919 -34.3729 77.4593 PRESSAVG: 1975000 48.2528 -38.5987 -3.89828 -38.5987 -7.13456 4.70931 -3.89828 4.70925 -21.3649 GPRESSAVG: 1975000 47.6981 -36.052 -3.94957 -39.188 -5.52988 6.99992 -2.02852 2.92571 -22.5583 TIMING: 1975000 CPU: 5876.92, 0.00298003/step Wall: 5876.92, 0.00298003/step, 2.50406 hours remaining, 206.453125 MB of memory in use. ENERGY: 1975000 753.0373 2095.6370 1925.9259 109.1500 -206416.2240 17783.0941 0.0000 0.0000 34329.2212 -149420.1585 299.8056 -183749.3798 -149322.0343 298.5940 -12.6587 15.2280 556040.4579 6.5844 6.5366 PRESSURE: 1975200 -259.865 2.9285 40.6585 2.92931 -120.109 -0.85594 40.6609 -0.855569 207.505 GPRESSURE: 1975200 -199.835 -76.1861 -43.9413 -12.6882 -93.4922 -36.5892 125.431 -28.3692 220.372 PRESSAVG: 1975200 9.65153 -18.3482 19.289 -18.3481 19.0876 -8.54617 19.2889 -8.5463 5.84959 GPRESSAVG: 1975200 10.0387 -19.9219 19.3007 -15.7429 18.2353 -9.65557 18.6239 -7.87924 5.43827 TIMING: 1975200 CPU: 5877.51, 0.00296717/step Wall: 5877.51, 0.00296717/step, 2.49308 hours remaining, 206.453125 MB of memory in use. ENERGY: 1975200 747.4760 2081.5861 1971.2331 100.2770 -205994.4414 17582.2211 0.0000 0.0000 33947.5022 -149564.1459 296.4720 -183511.6481 -149465.1521 298.5157 -57.4898 -24.3186 555302.8037 11.5296 11.2374 PRESSURE: 1975400 -315.102 13.6776 -71.1553 13.6773 -247.695 12.4184 -71.1553 12.4182 79.0745 GPRESSURE: 1975400 -253.276 65.9727 -42.7201 -28.7644 -243.663 29.7897 -77.9481 81.9929 93.8131 PRESSAVG: 1975400 -50.7759 8.64618 11.1042 8.64611 -22.8618 -37.4049 11.1042 -37.405 64.985 GPRESSAVG: 1975400 -51.6366 8.49365 12.1186 9.27209 -22.288 -38.4282 9.08089 -35.7232 64.5232 TIMING: 1975400 CPU: 5878.11, 0.00297675/step Wall: 5878.11, 0.00297675/step, 2.50096 hours remaining, 206.453125 MB of memory in use. ENERGY: 1975400 741.5953 2126.6305 1914.7101 110.8234 -206315.6521 17721.9604 0.0000 0.0000 34221.4544 -149478.4780 298.8645 -183699.9325 -149385.4817 298.2770 -161.2409 -134.3753 557360.9026 -2.8843 -3.1338 PRESSURE: 1975600 -140.865 -70.6694 -13.996 -70.669 -223.978 61.4302 -13.9956 61.4301 13.1124 GPRESSURE: 1975600 -125.026 -91.5622 -67.6527 1.01242 -146.289 146.068 -9.57274 75.1784 -4.78007 PRESSAVG: 1975600 11.93 24.7525 -41.8405 24.7525 -59.235 -41.7526 -41.8405 -41.7527 27.7452 GPRESSAVG: 1975600 13.3761 25.632 -41.4386 23.6083 -59.7912 -40.7838 -41.2356 -42.3494 26.5188 TIMING: 1975600 CPU: 5878.71, 0.00298518/step Wall: 5878.71, 0.00298518/step, 2.50788 hours remaining, 206.453125 MB of memory in use. ENERGY: 1975600 765.1906 2093.9782 1942.8309 106.5384 -206269.6115 17665.9079 0.0000 0.0000 34247.3984 -149447.7671 299.0910 -183695.1655 -149353.8949 298.2914 -117.2436 -92.0317 557147.4508 -6.5199 -6.6321 PRESSURE: 1975800 -213.729 7.62152 36.1322 7.62261 -214.355 -30.8267 36.1311 -30.8266 -168.861 GPRESSURE: 1975800 -147.8 -134.98 50.4886 45.9254 -220.128 -150.131 105.156 9.64777 -129.046 PRESSAVG: 1975800 -38.6211 -52.7334 -3.37085 -52.7333 -2.35602 -10.0878 -3.37086 -10.0878 58.8349 GPRESSAVG: 1975800 -38.9645 -53.6476 -4.27542 -51.8092 -2.18217 -10.0956 -2.21226 -9.24788 58.8096 TIMING: 1975800 CPU: 5879.3, 0.00297075/step Wall: 5879.3, 0.00297075/step, 2.4956 hours remaining, 206.453125 MB of memory in use. ENERGY: 1975800 729.4449 2055.5314 1927.5842 109.4669 -206345.7703 17735.0554 0.0000 0.0000 34320.1996 -149468.4880 299.7268 -183788.6876 -149366.6875 298.9637 -198.9817 -165.6583 556273.7591 5.9526 5.8876 PRESSURE: 1976000 -142.475 -85.3907 86.4564 -85.3916 64.295 21.197 86.4568 21.1976 -58.0493 GPRESSURE: 1976000 -79.9184 -32.1671 28.719 -187.802 65.6367 60.124 122.492 -30.4767 -15.7896 PRESSAVG: 1976000 -38.9958 -60.1537 57.3476 -60.1538 16.4353 -23.7888 57.3476 -23.7889 14.8058 GPRESSAVG: 1976000 -38.9049 -60.0442 55.8224 -59.9467 16.563 -25.7981 59.4329 -25.5914 14.8416 TIMING: 1976000 CPU: 5879.89, 0.00296288/step Wall: 5879.89, 0.00296288/step, 2.48882 hours remaining, 206.453125 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: 1976000 767.2103 2078.6657 1944.9183 111.5680 -206484.7627 17854.0851 0.0000 0.0000 34099.0747 -149629.2406 297.7957 -183728.3153 -149529.9312 298.4466 -45.4096 -10.0238 556790.2257 -2.5849 -2.5001 PRESSURE: 1976200 -8.86537 -99.529 78.4529 -99.53 -280.609 20.2929 78.453 20.2924 -13.5253 GPRESSURE: 1976200 43.5433 -107.346 28.7762 -142.774 -179.159 16.9887 86.5409 5.71257 -61.057 PRESSAVG: 1976200 -70.9679 -67.4835 39.6387 -67.4834 -27.1543 21.3603 39.6387 21.3604 54.3285 GPRESSAVG: 1976200 -71.1735 -67.0838 40.7844 -66.9245 -27.5744 21.8843 37.1469 23.2479 55.2485 TIMING: 1976200 CPU: 5880.49, 0.00296966/step Wall: 5880.49, 0.00296966/step, 2.49435 hours remaining, 206.453125 MB of memory in use. ENERGY: 1976200 706.1470 2092.3981 1941.3326 125.1268 -206835.2270 18015.6699 0.0000 0.0000 34373.1596 -149581.3930 300.1894 -183954.5526 -149487.6239 298.6040 -101.0000 -65.5575 559226.2039 -14.5979 -14.4998 LDB: ============= START OF LOAD BALANCING ============== 5883.91 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5883.91 LDB: =============== DONE WITH MIGRATION ================ 5883.91 LDB: ============= START OF LOAD BALANCING ============== 5884.21 LDB: Largest compute 4821 load 0.027012 is 22.9% of average load 0.118103 LDB: Average compute 0.001713 is 1.5% of average load 0.118103 LDB: TIME 5884.22 LOAD: AVG 0.118103 MAX 0.199754 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 5884.22 LOAD: AVG 0.118103 MAX 0.199754 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: TIME 5884.22 LOAD: AVG 0.118103 MAX 0.199754 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 5884.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5884.22 PRESSURE: 1976400 -25.6734 56.2088 223.41 56.2087 -135.048 -113.471 223.409 -113.471 -84.2149 GPRESSURE: 1976400 -6.92942 5.74921 267.241 93.8032 -42.4043 -159.96 144.529 -95.5488 -96.2121 PRESSAVG: 1976400 -18.1252 -20.0432 -15.0639 -20.0432 -21.8467 -10.6768 -15.0639 -10.6769 30.6449 GPRESSAVG: 1976400 -19.5594 -20.539 -15.285 -20.3528 -21.3279 -10.5024 -14.1301 -11.8661 31.4425 TIMING: 1976400 CPU: 5881.09, 0.00303474/step Wall: 5881.09, 0.00303474/step, 2.54885 hours remaining, 205.871094 MB of memory in use. ENERGY: 1976400 740.2808 2096.1598 1941.0147 99.2113 -206079.0485 17563.4635 0.0000 0.0000 33993.3573 -149645.5612 296.8724 -183638.9185 -149540.3901 298.4786 -81.6453 -48.5153 556277.7865 -3.1090 -3.1483 PRESSURE: 1976600 -334.766 -30.4941 18.8347 -30.4934 167.607 9.06282 18.835 9.06266 -148.304 GPRESSURE: 1976600 -248.657 -66.2851 -56.6139 38.0172 165.295 61.9023 9.04302 -87.2146 -132.238 PRESSAVG: 1976600 -21.4552 -3.13995 33.0866 -3.13999 4.39249 -51.5472 33.0866 -51.5472 -23.5212 GPRESSAVG: 1976600 -20.4275 -2.77796 35.9532 -3.72442 3.70459 -50.4781 32.1948 -51.4585 -24.5558 TIMING: 1976600 CPU: 5881.69, 0.00299779/step Wall: 5881.69, 0.00299779/step, 2.51765 hours remaining, 205.871094 MB of memory in use. ENERGY: 1976600 764.2818 2068.1474 1959.1693 121.1054 -205900.5867 17625.4046 0.0000 0.0000 34010.9207 -149351.5576 297.0258 -183362.4783 -149257.8914 298.4631 -105.1543 -71.8668 556949.7476 -13.5280 -13.7595 PRESSURE: 1976800 -78.9712 -98.2663 -70.3783 -98.266 -205.013 -346.224 -70.3773 -346.223 15.0653 GPRESSURE: 1976800 -45.6494 -212.567 -8.35614 -111.702 -197.302 -370.583 -60.9361 -281.413 65.9242 PRESSAVG: 1976800 -40.4796 -14.856 0.0488176 -14.8559 -15.1837 7.77475 0.0489108 7.77485 1.24304 GPRESSAVG: 1976800 -40.9539 -14.895 -1.87567 -13.4853 -14.2083 8.26416 1.70018 8.09316 1.1737 TIMING: 1976800 CPU: 5882.29, 0.00300573/step Wall: 5882.29, 0.00300573/step, 2.52415 hours remaining, 205.871094 MB of memory in use. ENERGY: 1976800 750.7081 2142.7242 1930.2633 99.7946 -206211.5035 17643.1114 0.0000 0.0000 34417.7182 -149227.1836 300.5785 -183644.9018 -149126.7978 298.9821 -89.6396 -59.0092 556375.3610 -18.1401 -17.9962 PRESSURE: 1977000 94.9528 115.904 195.059 115.903 152.574 78.9127 195.06 78.9106 -74.4128 GPRESSURE: 1977000 90.3788 120.441 132.012 100.839 173.385 121.974 186.564 47.4705 4.69895 PRESSAVG: 1977000 1.81621 31.1311 78.7838 31.131 65.8453 -29.1028 78.7838 -29.1028 17.1144 GPRESSAVG: 1977000 2.42751 33.3735 79.3972 28.6757 65.1558 -28.6747 76.5353 -29.9418 17.1819 TIMING: 1977000 CPU: 5882.9, 0.00303471/step Wall: 5882.9, 0.00303471/step, 2.54832 hours remaining, 205.871094 MB of memory in use. ENERGY: 1977000 720.5204 2101.9007 1939.6061 112.4104 -206394.5968 17891.3959 0.0000 0.0000 34307.3267 -149321.4366 299.6144 -183628.7632 -149220.4487 299.7306 57.7046 89.4877 556692.0989 28.2587 28.2551 PRESSURE: 1977200 -206.941 -38.2822 49.8288 -38.2816 -338.529 64.9911 49.8298 64.9911 -289.89 GPRESSURE: 1977200 -190.128 67.014 21.7809 -66.8341 -311.082 -4.91251 51.8017 66.3451 -237.457 PRESSAVG: 1977200 6.5808 -44.6144 -7.95995 -44.6143 -47.6244 15.7529 -7.95992 15.7528 26.711 GPRESSAVG: 1977200 5.92777 -46.2527 -9.06865 -41.4981 -48.6648 13.0242 -6.51202 15.0569 28.636 TIMING: 1977200 CPU: 5883.51, 0.00302909/step Wall: 5883.51, 0.00302909/step, 2.54343 hours remaining, 205.871094 MB of memory in use. ENERGY: 1977200 750.3172 2112.1161 1944.8623 110.1371 -205784.0468 17362.6603 0.0000 0.0000 34244.0202 -149259.9337 299.0615 -183503.9539 -149159.8255 299.2857 -278.4535 -246.2221 558254.4036 -4.7775 -4.7003 PRESSURE: 1977400 -273.648 153.452 302.123 153.452 -243.058 -23.4619 302.122 -23.4618 -158.881 GPRESSURE: 1977400 -289.49 68.0542 246.685 104.564 -256.061 -88.8858 273.339 26.2791 -31.529 PRESSAVG: 1977400 -103.937 -76.1362 -0.105461 -76.1361 18.1418 -3.86624 -0.10547 -3.86628 40.2282 GPRESSAVG: 1977400 -102.739 -75.61 -0.414915 -77.9963 19.8181 -3.197 0.766049 -2.32918 38.0579 TIMING: 1977400 CPU: 5884.11, 0.00300915/step Wall: 5884.11, 0.00300915/step, 2.52652 hours remaining, 205.871094 MB of memory in use. ENERGY: 1977400 725.9953 2139.5941 1938.9564 110.8063 -205993.1234 17627.2119 0.0000 0.0000 34455.5327 -148995.0267 300.9087 -183450.5595 -148892.6153 299.6673 -225.1955 -192.3602 558134.0796 -15.1891 -14.9543 PRESSURE: 1977600 72.6947 26.2309 288.155 26.2306 285.057 -31.2699 288.155 -31.2676 -13.8192 GPRESSURE: 1977600 120.398 -59.0177 223.345 44.8782 275.015 -66.4362 251.309 -77.1743 53.8091 PRESSAVG: 1977600 -18.8997 16.7367 11.776 16.7366 -34.1835 0.824155 11.776 0.824216 95.2125 GPRESSAVG: 1977600 -18.9145 17.1768 13.2964 19.3272 -33.7314 0.982072 10.4369 -0.745507 95.1294 TIMING: 1977600 CPU: 5884.71, 0.00300772/step Wall: 5884.71, 0.00300772/step, 2.52515 hours remaining, 205.871094 MB of memory in use. ENERGY: 1977600 731.6311 2240.0249 1952.0192 111.5414 -206119.2519 17842.9136 0.0000 0.0000 34109.4531 -149131.6686 297.8863 -183241.1217 -149039.5638 299.6823 114.6443 149.7409 557034.8972 14.0431 14.1611 PRESSURE: 1977800 135.797 -173.742 124.448 -173.741 30.0598 160.626 124.447 160.627 -175.37 GPRESSURE: 1977800 190.611 -163.003 106.566 -221.807 80.3256 119.657 82.5142 206.874 -172.078 PRESSAVG: 1977800 -5.1573 -26.482 34.0585 -26.4819 5.45075 23.6553 34.0585 23.6555 -25.185 GPRESSAVG: 1977800 -5.26862 -26.2359 32.0463 -28.3126 5.84603 24.2748 35.3382 24.1428 -25.1278 TIMING: 1977800 CPU: 5885.31, 0.00300445/step Wall: 5885.31, 0.00300445/step, 2.52224 hours remaining, 205.871094 MB of memory in use. ENERGY: 1977800 760.9424 2076.0312 1954.7826 116.8316 -206019.8739 17679.5245 0.0000 0.0000 34275.5188 -149156.2427 299.3366 -183431.7615 -149064.9945 299.3296 -3.1712 32.9530 556193.4753 -8.2972 -8.1835 PRESSURE: 1978000 -121.225 -100.556 -57.8549 -100.556 -154.247 116.763 -57.8564 116.763 -68.2476 GPRESSURE: 1978000 -99.3106 -113.581 -113.321 -89.997 -86.9413 167.093 -70.2778 53.6149 -68.0886 PRESSAVG: 1978000 42.4269 -13.2997 -78.8952 -13.2997 -44.3767 37.6958 -78.8952 37.6959 -2.05158 GPRESSAVG: 1978000 42.8856 -15.3816 -78.811 -12.9987 -45.2962 36.5372 -79.7462 37.3675 -1.59333 TIMING: 1978000 CPU: 5885.91, 0.00300401/step Wall: 5885.91, 0.00300401/step, 2.5217 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: 1978000 726.9726 2102.5927 1956.2829 112.6800 -205810.8168 17488.3227 0.0000 0.0000 34252.1644 -149171.8015 299.1327 -183423.9659 -149080.2059 299.1568 -114.5732 -84.7801 557130.5680 -1.3338 -1.3346 PRESSURE: 1978200 20.5502 38.8429 -166.835 38.8427 95.1922 70.1736 -166.836 70.173 -50.0843 GPRESSURE: 1978200 78.9379 11.4672 -152.272 101.88 124.725 99.5657 -161.457 60.5454 -58.2578 PRESSAVG: 1978200 46.5088 0.67956 -10.4717 0.679578 -20.1023 7.39781 -10.4718 7.3979 -22.9026 GPRESSAVG: 1978200 45.6595 0.478037 -8.7736 2.3128 -18.9888 6.36656 -9.88003 8.89606 -23.8752 TIMING: 1978200 CPU: 5886.52, 0.0030168/step Wall: 5886.52, 0.0030168/step, 2.53227 hours remaining, 205.871094 MB of memory in use. ENERGY: 1978200 709.2270 2111.0787 1944.0490 127.2576 -205993.0048 17655.5795 0.0000 0.0000 34292.8050 -149153.0080 299.4876 -183445.8130 -149053.7597 299.3362 21.8860 48.4684 557848.7643 1.1680 0.9318 PRESSURE: 1978400 9.06006 17.4453 -16.5306 17.4467 288.847 170.388 -16.5314 170.387 105.639 GPRESSURE: 1978400 103.155 29.417 -47.2976 75.2401 289.183 138.623 31.609 173.984 116.269 PRESSAVG: 1978400 29.2141 2.75705 -57.3343 2.75703 39.676 52.4329 -57.3343 52.4329 -93.4995 GPRESSAVG: 1978400 30.0827 3.67433 -59.406 2.24807 38.5857 55.2879 -55.5272 49.411 -93.5317 TIMING: 1978400 CPU: 5887.12, 0.00300009/step Wall: 5887.12, 0.00300009/step, 2.51808 hours remaining, 205.871094 MB of memory in use. ENERGY: 1978400 732.3790 2088.5023 1940.1781 114.7459 -206398.0537 18020.9114 0.0000 0.0000 34221.7661 -149279.5709 298.8672 -183501.3370 -149187.1545 298.8785 134.5153 169.5355 558248.9581 -8.2031 -8.2877 PRESSURE: 1978600 -111.154 9.33377 -18.8142 9.33455 224.675 32.7173 -18.8148 32.7165 77.0025 GPRESSURE: 1978600 -18.8157 -5.57354 87.6813 66.5422 257.573 50.2972 -35.3745 124.899 58.023 PRESSAVG: 1978600 50.8738 15.3766 52.3842 15.3767 0.60363 -0.965948 52.3844 -0.966093 -29.7633 GPRESSAVG: 1978600 51.0907 15.9487 54.9428 13.4248 0.266903 -2.57445 49.6063 1.29824 -29.6375 TIMING: 1978600 CPU: 5887.71, 0.0029971/step Wall: 5887.71, 0.0029971/step, 2.5154 hours remaining, 205.871094 MB of memory in use. ENERGY: 1978600 753.7749 2107.7392 1947.3471 112.9148 -206598.1216 18065.6367 0.0000 0.0000 34221.7135 -149388.9954 298.8667 -183610.7089 -149290.3803 298.7077 63.5078 98.9269 555892.2743 7.2380 7.2400 PRESSURE: 1978800 -270.014 -152.988 10.9381 -152.987 48.5463 -143.162 10.9392 -143.16 -451.799 GPRESSURE: 1978800 -252.792 -68.6944 -63.3913 -100.151 31.247 -122.178 95.4709 -189.174 -353.849 PRESSAVG: 1978800 70.5869 -47.8576 -0.321976 -47.8576 19.8317 -45.6559 -0.321978 -45.6559 -76.8291 GPRESSAVG: 1978800 69.723 -47.3291 -1.4915 -48.0442 19.9743 -44.776 0.324967 -46.4778 -76.3 TIMING: 1978800 CPU: 5888.31, 0.00299698/step Wall: 5888.31, 0.00299698/step, 2.51513 hours remaining, 205.871094 MB of memory in use. ENERGY: 1978800 746.8707 2164.3203 1926.2034 113.7511 -206396.5457 17643.7268 0.0000 0.0000 34481.8878 -149319.7857 301.1389 -183801.6735 -149221.0338 299.0397 -224.4222 -191.7979 558073.8632 4.5298 4.4658 PRESSURE: 1979000 45.1309 94.4163 -32.6579 94.4166 -210.089 12.7972 -32.657 12.797 72.6099 GPRESSURE: 1979000 30.9932 61.6702 -124.103 104.115 -194.448 61.2293 -37.5573 46.1242 171.874 PRESSAVG: 1979000 -4.83394 -45.0578 17.4496 -45.0579 -39.1412 -10.4243 17.4497 -10.4243 -9.24915 GPRESSAVG: 1979000 -4.55246 -46.2035 15.5768 -43.2999 -39.1252 -11.9606 17.8666 -10.8113 -9.04176 TIMING: 1979000 CPU: 5888.92, 0.00301025/step Wall: 5888.92, 0.00301025/step, 2.5261 hours remaining, 205.871094 MB of memory in use. ENERGY: 1979000 731.6653 2063.2968 1934.8905 133.0728 -206307.9644 17786.7001 0.0000 0.0000 34422.5896 -149235.7494 300.6210 -183658.3390 -149140.5534 299.1326 -30.7827 2.8067 556382.3166 -17.7414 -17.5732 PRESSURE: 1979200 92.7279 -24.9626 22.055 -24.9614 1.21212 -54.231 22.0542 -54.2304 130.366 GPRESSURE: 1979200 134.649 12.7103 105.443 -7.84059 3.45314 -61.5797 -24.1198 -57.539 186.256 PRESSAVG: 1979200 -3.22736 9.12846 43.4809 9.12844 34.2812 29.5791 43.4809 29.5791 -7.81007 GPRESSAVG: 1979200 -3.71865 8.31441 45.7512 8.03817 34.9697 29.3314 43.9395 31.7713 -8.13867 TIMING: 1979200 CPU: 5889.52, 0.00302212/step Wall: 5889.52, 0.00302212/step, 2.53589 hours remaining, 205.871094 MB of memory in use. ENERGY: 1979200 720.1516 2143.5776 1926.8710 111.8879 -206326.4940 17787.5516 0.0000 0.0000 34429.5723 -149206.8819 300.6820 -183636.4542 -149112.7570 299.5181 74.7688 108.1196 555095.1977 7.7479 7.7041 PRESSURE: 1979400 -168.372 86.8645 40.6654 86.8656 10.9811 -131.03 40.6659 -131.03 -200.83 GPRESSURE: 1979400 -163.644 -25.2923 81.5906 116.436 41.2656 -142.45 -25.8834 -57.017 -146.376 PRESSAVG: 1979400 -1.34394 -16.8689 29.9286 -16.869 -4.63062 -88.5528 29.9286 -88.5529 4.21601 GPRESSAVG: 1979400 0.636887 -16.4558 31.2733 -14.8809 -4.61287 -86.6755 29.9514 -88.8838 1.87769 TIMING: 1979400 CPU: 5890.12, 0.00299392/step Wall: 5890.12, 0.00299392/step, 2.51207 hours remaining, 205.871094 MB of memory in use. ENERGY: 1979400 784.0986 2070.3500 1943.3017 117.8645 -206092.7972 17685.0333 0.0000 0.0000 34369.4008 -149122.7483 300.1565 -183492.1491 -149028.4905 299.6952 -119.4070 -89.5848 556659.6980 -0.5862 -0.6994 PRESSURE: 1979600 -63.712 158.713 252 158.713 -28.1571 47.8356 252.001 47.8349 103.044 GPRESSURE: 1979600 -27.5796 178.259 168.353 120.468 25.8149 50.9501 213.297 -33.4571 100.812 PRESSAVG: 1979600 -22.2773 50.6246 26.983 50.6246 65.8952 -37.8912 26.9832 -37.8912 -63.5366 GPRESSAVG: 1979600 -23.1695 49.5611 24.6801 49.8719 65.9138 -37.5445 27.3711 -41.1973 -62.6583 TIMING: 1979600 CPU: 5890.71, 0.00297535/step Wall: 5890.71, 0.00297535/step, 2.49632 hours remaining, 205.871094 MB of memory in use. ENERGY: 1979600 748.3118 2086.1467 1931.4355 126.2512 -206018.8963 17758.1770 0.0000 0.0000 34312.8153 -149055.7587 299.6624 -183368.5740 -148956.9161 299.9376 3.7251 33.0156 557620.2970 -6.6396 -6.6380 PRESSURE: 1979800 -137.404 39.5671 69.874 39.5674 -279.857 129.725 69.8735 129.727 -121.761 GPRESSURE: 1979800 -145.027 93.8356 -11.2774 100.29 -239.68 45.2631 48.9253 158.125 -50.5282 PRESSAVG: 1979800 25.5855 21.3876 46.8881 21.3876 5.48081 10.6645 46.888 10.6644 -48.1307 GPRESSAVG: 1979800 24.2301 20.4399 46.4245 22.9481 6.30043 9.12354 47.7862 12.805 -47.8994 TIMING: 1979800 CPU: 5891.31, 0.00296964/step Wall: 5891.31, 0.00296964/step, 2.49137 hours remaining, 205.871094 MB of memory in use. ENERGY: 1979800 736.2046 2115.9555 1949.8194 121.3067 -205794.0371 17465.9369 0.0000 0.0000 34361.7900 -149043.0240 300.0901 -183404.8140 -148941.5750 299.4225 -179.6739 -145.0786 557872.4651 -5.6881 -5.7896 PRESSURE: 1980000 41.1832 -0.212723 5.17356 -0.213126 -52 0.735458 5.17284 0.734952 -61.1631 GPRESSURE: 1980000 114.784 43.9101 -13.209 -104.061 -71.2324 4.35997 -53.4262 10.6682 -5.9917 PRESSAVG: 1980000 7.66207 8.8511 -17.1088 8.85111 -61.0163 7.64917 -17.1089 7.64906 33.8559 GPRESSAVG: 1980000 8.20372 9.09284 -15.6204 7.21651 -62.5447 8.61194 -18.6408 8.21129 34.5859 TIMING: 1980000 CPU: 5891.91, 0.0030097/step Wall: 5891.91, 0.0030097/step, 2.5248 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: 1980000 758.0652 2120.7540 1954.2511 112.4140 -206059.0371 17901.0253 0.0000 0.0000 34214.3991 -148998.1283 298.8029 -183212.5274 -148901.3885 299.6235 -23.9933 12.5200 556589.7475 -6.4995 -6.5850 PRESSURE: 1980200 -317.199 -56.21 30.6001 -56.2096 35.7405 10.0239 30.6009 10.0237 19.588 GPRESSURE: 1980200 -277.207 -81.6007 93.4453 -65.8773 59.7878 -28.5506 60.8807 -17.4072 41.4857 PRESSAVG: 1980200 -47.6886 9.09164 70.6154 9.0916 15.3235 -0.132469 70.6154 -0.132432 12.1397 GPRESSAVG: 1980200 -47.2876 10.9027 70.8563 8.35751 15.8609 -0.440122 70.276 -1.78401 10.6817 TIMING: 1980200 CPU: 5892.51, 0.00298789/step Wall: 5892.51, 0.00298789/step, 2.50634 hours remaining, 205.871094 MB of memory in use. ENERGY: 1980200 783.4749 2062.8898 1945.4834 101.4825 -206168.4325 17849.9723 0.0000 0.0000 34230.7769 -149194.3528 298.9459 -183425.1297 -149102.4883 299.3167 -87.2903 -58.6446 558672.4455 -6.7418 -6.9150 LDB: ============= START OF LOAD BALANCING ============== 5895.94 LDB: ============== END OF LOAD BALANCING =============== 5895.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5895.94 LDB: ============= START OF LOAD BALANCING ============== 5896.24 LDB: Largest compute 4821 load 0.025233 is 21.4% of average load 0.118003 LDB: Average compute 0.001713 is 1.5% of average load 0.118003 LDB: TIME 5896.24 LOAD: AVG 0.118003 MAX 0.200414 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.359 MB LDB: TIME 5896.24 LOAD: AVG 0.118003 MAX 0.200414 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: TIME 5896.24 LOAD: AVG 0.118003 MAX 0.200414 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: ============== END OF LOAD BALANCING =============== 5896.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5896.25 PRESSURE: 1980400 -155.485 28.5569 -71.1919 28.557 -69.8044 -177.82 -71.1918 -177.82 84.2663 GPRESSURE: 1980400 -47.5592 -28.9075 -43.5787 62.0555 -83.3911 -189.934 -64.1093 -200.128 75.591 PRESSAVG: 1980400 15.9674 16.5356 10.429 16.5357 -46.8552 26.2765 10.4289 26.2764 37.1957 GPRESSAVG: 1980400 15.354 16.5394 7.94778 16.8227 -47.1546 26.2901 10.7053 25.704 37.9382 TIMING: 1980400 CPU: 5893.12, 0.00305293/step Wall: 5893.12, 0.00305293/step, 2.56073 hours remaining, 205.351562 MB of memory in use. ENERGY: 1980400 769.3230 2125.0580 1917.5856 114.6564 -206420.5695 17962.3817 0.0000 0.0000 34351.6001 -149179.9647 300.0011 -183531.5648 -149086.3846 299.3025 -47.0076 -18.4531 558621.6424 2.1027 2.0459 PRESSURE: 1980600 -142.34 -40.3797 29.563 -40.3806 -171.117 -70.1975 29.5624 -70.197 -108.482 GPRESSURE: 1980600 -67.5252 -3.71354 72.2581 -49.7621 -153.895 3.84417 53.171 -122.625 -99.1803 PRESSAVG: 1980600 82.2987 -13.0731 28.8591 -13.0731 -55.1785 -0.0749323 28.8591 -0.075024 1.83108 GPRESSAVG: 1980600 81.9516 -13.2055 31.2047 -12.4809 -55.0737 -0.275424 27.8257 0.975286 1.85235 TIMING: 1980600 CPU: 5893.71, 0.00297104/step Wall: 5893.71, 0.00297104/step, 2.49188 hours remaining, 205.351562 MB of memory in use. ENERGY: 1980600 749.5360 2074.0491 1924.1878 111.6003 -205773.2051 17565.7755 0.0000 0.0000 34238.5940 -149109.4624 299.0142 -183348.0564 -149009.0702 299.3761 -140.6464 -106.8667 558132.7723 9.6504 9.5767 PRESSURE: 1980800 8.16209 -41.0239 -167.573 -41.0244 -111.077 -116.365 -167.575 -116.363 309.497 GPRESSURE: 1980800 94.2248 -78.0991 -248.645 -96.1735 -92.8897 -124.013 -105.674 -100.521 293.022 PRESSAVG: 1980800 -12.5139 26.7845 -2.08898 26.7846 -20.2616 6.40702 -2.08905 6.40699 55.1022 GPRESSAVG: 1980800 -12.2033 26.4948 -1.28993 25.9312 -19.6979 4.64221 -3.13692 8.05524 54.1699 TIMING: 1980800 CPU: 5894.31, 0.00298532/step Wall: 5894.31, 0.00298532/step, 2.50369 hours remaining, 205.351562 MB of memory in use. ENERGY: 1980800 714.2092 2066.8339 1931.1870 107.0533 -206311.2014 17871.1332 0.0000 0.0000 34386.4794 -149234.3053 300.3057 -183620.7847 -149134.6889 299.1854 68.8606 98.1190 557867.6974 7.4423 7.4229 PRESSURE: 1981000 78.7457 -71.0643 -119.863 -71.0655 -120.236 -32.2617 -119.862 -32.2636 -261.783 GPRESSURE: 1981000 83.6192 -76.9381 -80.9693 -82.1458 -127.564 35.7106 -99.9329 -123.904 -162.798 PRESSAVG: 1981000 6.2551 39.4655 -44.4558 39.4655 37.6868 -28.427 -44.4558 -28.427 -54.675 GPRESSAVG: 1981000 6.75919 41.6016 -44.2202 37.981 36.3714 -27.5641 -43.6152 -28.9665 -53.6782 TIMING: 1981000 CPU: 5894.91, 0.0029785/step Wall: 5894.91, 0.0029785/step, 2.4978 hours remaining, 205.351562 MB of memory in use. ENERGY: 1981000 728.2363 2063.3885 1926.3750 118.9401 -205804.4936 17505.9459 0.0000 0.0000 34141.2209 -149320.3868 298.1638 -183461.6077 -149220.7433 298.9646 -101.0908 -68.9145 557584.1228 -3.5777 -3.5159 PRESSURE: 1981200 18.1011 -35.6844 -33.2158 -35.6844 -70.0993 -30.7296 -33.2154 -30.7282 -38.0885 GPRESSURE: 1981200 10.8901 21.1572 -33.1272 -38.6698 -15.6081 -1.6297 3.83053 -39.7195 3.60174 PRESSAVG: 1981200 15.9837 -67.8474 -66.384 -67.8474 25.5873 -13.8143 -66.384 -13.8142 -28.722 GPRESSAVG: 1981200 15.5568 -69.9113 -68.8464 -65.0361 26.5187 -10.7928 -63.602 -16.9721 -28.3996 TIMING: 1981200 CPU: 5895.5, 0.00297588/step Wall: 5895.5, 0.00297588/step, 2.49544 hours remaining, 205.351562 MB of memory in use. ENERGY: 1981200 716.9514 2022.6410 1915.8776 109.9754 -206285.4793 17718.3213 0.0000 0.0000 34131.5250 -149670.1875 298.0791 -183801.7126 -149575.7640 298.2059 -30.0289 -0.3721 556250.2348 4.2830 4.5586 PRESSURE: 1981400 73.943 223.108 94.0168 223.108 -16.1621 70.4148 94.0172 70.4147 162.208 GPRESSURE: 1981400 91.2433 317.952 102.054 186.454 -22.9777 134.291 18.524 -24.659 243.575 PRESSAVG: 1981400 -67.041 24.9333 -21.7891 24.9333 -6.31048 -14.2877 -21.7892 -14.2877 71.4336 GPRESSAVG: 1981400 -66.7464 23.0494 -19.6612 24.2154 -6.92049 -16.3075 -25.6969 -11.8739 72.2793 TIMING: 1981400 CPU: 5896.1, 0.0029887/step Wall: 5896.1, 0.0029887/step, 2.50602 hours remaining, 205.351562 MB of memory in use. ENERGY: 1981400 706.3661 1987.6187 1940.5167 110.5718 -206416.5086 17877.9234 0.0000 0.0000 34130.7908 -149662.7212 298.0727 -183793.5119 -149566.6726 297.8613 73.3296 103.9469 556185.9450 -0.6393 -0.4625 PRESSURE: 1981600 0.193427 -19.6931 53.7694 -19.6922 213.822 -44.4529 53.7693 -44.453 8.88273 GPRESSURE: 1981600 62.1213 -2.31919 12.0306 -37.5736 232.611 23.6638 4.93538 -65.2296 26.1275 PRESSAVG: 1981600 17.311 -36.6229 21.1214 -36.6228 12.5499 -2.43195 21.1214 -2.43184 44.4399 GPRESSAVG: 1981600 17.3902 -34.4859 19.285 -35.8855 13.7618 -1.57064 22.8599 -3.08855 43.2008 TIMING: 1981600 CPU: 5896.69, 0.00295535/step Wall: 5896.69, 0.00295535/step, 2.4779 hours remaining, 205.351562 MB of memory in use. ENERGY: 1981600 727.4531 2075.0291 1916.2382 126.1892 -206617.6175 18029.9862 0.0000 0.0000 34285.3680 -149457.3536 299.4226 -183742.7216 -149358.5034 298.5217 74.2993 106.9534 557690.7186 24.7669 24.7842 PRESSURE: 1981800 -294.001 -4.76551 -167.15 -4.76532 -131.447 118.469 -167.15 118.468 -46.2328 GPRESSURE: 1981800 -224.471 -59.0456 -107.446 33.3813 -127.391 78.3618 -133.198 180.474 -43.6197 PRESSAVG: 1981800 -67.7279 -3.85204 -13.7504 -3.85201 32.4471 -36.1091 -13.7503 -36.109 30.455 GPRESSAVG: 1981800 -66.8393 -4.19839 -11.8816 -6.06881 31.701 -38.8755 -12.2526 -33.7362 30.4968 TIMING: 1981800 CPU: 5897.28, 0.00294867/step Wall: 5897.28, 0.00294867/step, 2.47213 hours remaining, 205.351562 MB of memory in use. ENERGY: 1981800 740.4780 2085.1997 1964.9175 119.1578 -206261.8677 17563.0325 0.0000 0.0000 34485.9671 -149303.1151 301.1745 -183789.0823 -149209.4601 298.6269 -157.2268 -131.8273 558110.7664 -1.6086 -1.5472 PRESSURE: 1982000 464.817 -99.6946 -31.7031 -99.6924 155.477 -43.8849 -31.7035 -43.8832 198.775 GPRESSURE: 1982000 482.514 -104.279 -13.9348 -82.4868 185.719 -40.8498 -44.9347 -72.8809 248.919 PRESSAVG: 1982000 -23.7839 -20.2441 -17.4654 -20.2442 24.0478 -4.25833 -17.4653 -4.25831 34.5617 GPRESSAVG: 1982000 -24.2991 -21.6 -17.2 -17.9445 23.4981 -4.4277 -18.4435 -5.39716 35.1797 TIMING: 1982000 CPU: 5897.87, 0.00296756/step Wall: 5897.87, 0.00296756/step, 2.4878 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: 1982000 731.2689 2054.1966 1943.5083 115.0846 -206535.8123 18208.9046 0.0000 0.0000 34145.9865 -149336.8628 298.2054 -183482.8493 -149241.5693 299.3722 273.0231 305.7176 556115.4852 11.6085 11.4595 PRESSURE: 1982200 101.936 80.9171 -35.4734 80.9182 -135.072 23.8881 -35.4726 23.89 -51.9294 GPRESSURE: 1982200 119.323 49.2021 57.0642 65.8908 -67.0258 64.7996 -86.1751 -33.0419 -41.7161 PRESSAVG: 1982200 -27.3394 -2.25118 -26.3171 -2.25112 52.7391 -5.45909 -26.3171 -5.45909 -0.532476 GPRESSAVG: 1982200 -28.0431 0.405691 -26.2117 -4.54323 53.2946 -4.74592 -26.269 -5.97855 -0.684412 TIMING: 1982200 CPU: 5898.46, 0.00295456/step Wall: 5898.46, 0.00295456/step, 2.47674 hours remaining, 205.351562 MB of memory in use. ENERGY: 1982200 735.3834 2090.0089 1955.5504 113.4293 -206346.5652 17772.0356 0.0000 0.0000 34196.0462 -149484.1114 298.6426 -183680.1576 -149389.0898 298.3497 -28.3551 3.5271 556028.8552 8.2891 8.1890 PRESSURE: 1982400 -51.1143 -50.6517 16.0185 -50.651 -353.492 -75.5944 16.0194 -75.5942 -80.8446 GPRESSURE: 1982400 -24.9212 -67.2036 0.513721 -22.6107 -305.466 -51.7184 51.0768 -57.3282 -70.6709 PRESSAVG: 1982400 7.3004 -15.4183 -4.48669 -15.4184 -48.4003 40.991 -4.48672 40.9911 54.1906 GPRESSAVG: 1982400 6.38923 -17.4569 -3.48022 -14.9792 -47.3875 41.1781 -6.74086 40.9514 54.2399 TIMING: 1982400 CPU: 5899.06, 0.00295898/step Wall: 5899.06, 0.00295898/step, 2.48029 hours remaining, 205.351562 MB of memory in use. ENERGY: 1982400 733.4345 2115.6553 1929.8840 96.1350 -206216.8724 17607.1218 0.0000 0.0000 34240.6472 -149493.9946 299.0321 -183734.6418 -149396.7649 298.7183 -161.8169 -133.6860 556535.9276 4.3636 4.4139 PRESSURE: 1982600 131.709 -112.352 -28.5796 -112.353 -34.1464 -12.1611 -28.5794 -12.1613 123.926 GPRESSURE: 1982600 126.172 -79.2467 60.291 -209.893 -2.09117 -24.5628 -120.167 10.2969 197.614 PRESSAVG: 1982600 31.9887 6.66992 -19.1608 6.66997 -10.0289 -55.2084 -19.1608 -55.2084 10.8466 GPRESSAVG: 1982600 33.2206 6.52971 -22.8996 8.43213 -11.6575 -53.9369 -17.5762 -56.8745 11.6792 TIMING: 1982600 CPU: 5899.65, 0.00296046/step Wall: 5899.65, 0.00296046/step, 2.48136 hours remaining, 205.351562 MB of memory in use. ENERGY: 1982600 744.2404 2103.4166 1907.7228 119.4293 -206644.1435 17958.5493 0.0000 0.0000 34492.5379 -149318.2473 301.2319 -183810.7852 -149229.6480 299.0278 73.8297 107.2314 557622.7760 10.9355 11.0807 PRESSURE: 1982800 -47.5155 68.2334 -1.34824 68.2339 -54.4859 32.6985 -1.34722 32.6978 59.5086 GPRESSURE: 1982800 84.1932 95.2292 -5.58079 24.0746 -11.2271 -35.2964 4.97452 105.501 -9.21672 PRESSAVG: 1982800 5.89742 -43.2715 11.3402 -43.2715 -53.7797 -10.125 11.3401 -10.1251 -28.8563 GPRESSAVG: 1982800 6.24663 -42.5057 12.1598 -48.8988 -52.7118 -10.8041 11.9868 -10.9159 -29.7525 TIMING: 1982800 CPU: 5900.25, 0.00301351/step Wall: 5900.25, 0.00301351/step, 2.52565 hours remaining, 205.351562 MB of memory in use. ENERGY: 1982800 738.1825 2051.1056 1919.4701 115.5833 -205945.3599 17814.9828 0.0000 0.0000 34017.6987 -149288.3367 297.0850 -183306.0354 -149187.8734 298.7084 -14.1643 21.2498 558188.6080 -25.5795 -25.4059 PRESSURE: 1983000 61.4392 -34.5853 87.7676 -34.5841 212.031 -40.7919 87.7669 -40.7923 -155.973 GPRESSURE: 1983000 34.5065 22.9722 77.2956 -8.88611 297.985 -36.2631 5.43478 24.3439 -116.245 PRESSAVG: 1983000 15.3238 30.0458 38.2663 30.0459 -11.5725 -15.1374 38.2661 -15.1375 0.423022 GPRESSAVG: 1983000 15.048 29.9676 38.1548 33.516 -11.9308 -14.7454 39.3543 -13.9271 0.129435 TIMING: 1983000 CPU: 5900.85, 0.00299303/step Wall: 5900.85, 0.00299303/step, 2.50832 hours remaining, 205.351562 MB of memory in use. ENERGY: 1983000 758.1454 2079.1766 1937.3473 117.1826 -206253.2398 17886.5726 0.0000 0.0000 34274.7314 -149200.0838 299.3298 -183474.8152 -149101.3826 299.4154 39.1658 72.0823 557528.8309 1.3914 1.0822 PRESSURE: 1983200 265.552 -45.6261 89.589 -45.6263 285.178 74.2869 89.5897 74.2864 85.1881 GPRESSURE: 1983200 332.999 -37.5932 -7.26972 -119.395 243.522 86.4968 31.5774 51.1913 165.444 PRESSAVG: 1983200 44.5336 -22.2563 -8.61815 -22.2563 1.80028 -21.2024 -8.61813 -21.2024 4.44095 GPRESSAVG: 1983200 44.6831 -21.9244 -7.98353 -21.617 1.00585 -19.9408 -10.1998 -21.9695 4.25664 TIMING: 1983200 CPU: 5901.45, 0.00298893/step Wall: 5901.45, 0.00298893/step, 2.50472 hours remaining, 205.351562 MB of memory in use. ENERGY: 1983200 723.5478 2101.3285 1950.6105 112.3827 -206476.6485 18067.8530 0.0000 0.0000 34297.8367 -149223.0893 299.5315 -183520.9260 -149121.4480 299.9605 211.9729 247.3220 557344.4133 16.9249 16.6485 PRESSURE: 1983400 -55.5976 117.144 111.29 117.143 -8.50606 -22.4746 111.289 -22.4757 -69.2141 GPRESSURE: 1983400 -47.8539 89.3127 65.9735 94.8864 48.6255 14.6808 192.388 11.1116 -46.3331 PRESSAVG: 1983400 -32.7581 45.6301 25.4842 45.6302 47.6589 -29.1438 25.4843 -29.1438 -54.745 GPRESSAVG: 1983400 -32.4985 45.5217 24.4723 44.2903 47.802 -29.5672 26.6778 -28.5387 -54.6547 TIMING: 1983400 CPU: 5902.04, 0.00297159/step Wall: 5902.04, 0.00297159/step, 2.49003 hours remaining, 205.351562 MB of memory in use. ENERGY: 1983400 742.5436 2107.2641 1909.6739 116.4055 -206149.6797 17787.5687 0.0000 0.0000 34171.1980 -149315.0258 298.4256 -183486.2238 -149219.4840 298.8127 -44.4392 -15.1872 558246.0502 -13.2814 -13.1171 PRESSURE: 1983600 -85.8658 261.158 107.178 261.158 13.179 -73.2211 107.178 -73.2215 -230.953 GPRESSURE: 1983600 -53.0075 257.784 106.266 272.981 87.0897 31.6669 162.798 -107.729 -223.322 PRESSAVG: 1983600 -38.296 54.4958 31.2676 54.4958 42.7135 -11.3148 31.2677 -11.3149 42.2034 GPRESSAVG: 1983600 -39.1627 54.0037 31.7187 55.2828 43.7681 -13.9101 30.3078 -9.53515 41.8793 TIMING: 1983600 CPU: 5902.64, 0.00299482/step Wall: 5902.64, 0.00299482/step, 2.50933 hours remaining, 205.351562 MB of memory in use. ENERGY: 1983600 764.0365 2076.1031 1930.9436 120.6023 -206579.4294 17969.4353 0.0000 0.0000 34386.5534 -149331.7553 300.3063 -183718.3087 -149234.4503 298.9219 -101.2134 -63.0800 557317.3655 15.5403 15.4949 PRESSURE: 1983800 -132.442 17.4858 -65.9186 17.4858 -187.999 3.03181 -65.9181 3.03171 -72.6793 GPRESSURE: 1983800 -144.306 162.39 6.79096 -0.404212 -120.038 64.5431 -115.865 10.0192 -41.5547 PRESSAVG: 1983800 -13.0669 33.8382 -37.4729 33.8382 40.7241 70.4599 -37.4729 70.46 -28.4964 GPRESSAVG: 1983800 -11.8352 33.802 -34.4521 33.864 40.2223 72.5014 -37.745 70.3905 -29.4434 TIMING: 1983800 CPU: 5903.24, 0.00300396/step Wall: 5903.24, 0.00300396/step, 2.51682 hours remaining, 205.351562 MB of memory in use. ENERGY: 1983800 769.3377 2117.7571 1914.0960 121.2436 -206017.6044 17600.4346 0.0000 0.0000 34359.3454 -149135.3898 300.0687 -183494.7352 -149043.3851 299.1581 -131.0400 -101.9662 557751.0381 -0.2797 -0.3521 PRESSURE: 1984000 35.5939 146.388 121.877 146.387 113.743 -27.0311 121.876 -27.0322 -40.1488 GPRESSURE: 1984000 83.1954 141.24 102.952 200.202 120.298 5.82989 114.791 24.3374 6.33224 PRESSAVG: 1984000 19.2198 28.0761 -16.4027 28.0761 32.7241 49.5377 -16.4028 49.5376 1.91319 GPRESSAVG: 1984000 18.7427 27.5919 -18.2728 27.7121 31.7904 48.6409 -15.1006 48.5243 3.70669 TIMING: 1984000 CPU: 5903.84, 0.00297791/step Wall: 5903.84, 0.00297791/step, 2.49482 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: 1984000 734.6768 2138.2074 1925.2823 115.8496 -205841.9044 17822.6077 0.0000 0.0000 33935.5859 -149169.6948 296.3679 -183105.2807 -149076.6865 299.4210 36.3961 69.9420 558434.8219 17.9524 18.0799 PRESSURE: 1984200 141.331 120.933 -85.0772 120.934 159.474 157.576 -85.0777 157.576 -349.563 GPRESSURE: 1984200 187.105 189.287 -85.5876 110.384 199.348 230.478 -136.655 96.9004 -341.266 PRESSAVG: 1984200 96.4731 10.0517 -13.4994 10.0517 42.2743 -30.746 -13.4995 -30.746 -80.531 GPRESSAVG: 1984200 96.4138 10.7091 -12.0364 10.8051 42.3768 -31.6223 -15.2355 -29.5466 -80.3679 TIMING: 1984200 CPU: 5904.43, 0.00297526/step Wall: 5904.43, 0.00297526/step, 2.49244 hours remaining, 205.351562 MB of memory in use. ENERGY: 1984200 712.1985 2138.0093 1947.2072 113.4960 -206377.3758 17830.8084 0.0000 0.0000 34342.0011 -149293.6552 299.9172 -183635.6564 -149193.8578 299.6681 -16.2525 15.0623 556916.7191 19.4055 19.4742 LDB: ============= START OF LOAD BALANCING ============== 5907.86 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 5907.86 LDB: =============== DONE WITH MIGRATION ================ 5907.86 LDB: ============= START OF LOAD BALANCING ============== 5908.16 LDB: Largest compute 4821 load 0.025711 is 21.8% of average load 0.117949 LDB: Average compute 0.001706 is 1.4% of average load 0.117949 LDB: TIME 5908.16 LOAD: AVG 0.117949 MAX 0.198837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 5908.16 LOAD: AVG 0.117949 MAX 0.198837 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.836 MB LDB: TIME 5908.16 LOAD: AVG 0.117949 MAX 0.198837 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.836 MB LDB: ============== END OF LOAD BALANCING =============== 5908.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5908.17 PRESSURE: 1984400 -308.505 -59.4416 14.6114 -59.4425 -246.273 -29.7391 14.6101 -29.7369 -178.575 GPRESSURE: 1984400 -296.897 -98.1525 75.9062 -48.4119 -180.063 -6.27358 -8.97651 -73.2565 -158.631 PRESSAVG: 1984400 36.3108 30.3451 -10.4241 30.3451 23.5067 -4.54276 -10.4242 -4.54287 -62.4747 GPRESSAVG: 1984400 36.2193 29.9842 -11.7735 28.8148 24.0134 -2.55029 -8.59768 -5.19481 -62.6554 TIMING: 1984400 CPU: 5905.04, 0.00304705/step Wall: 5905.04, 0.00304705/step, 2.55241 hours remaining, 206.312500 MB of memory in use. ENERGY: 1984400 741.9247 2105.3001 1935.8238 128.6903 -206205.6018 17599.7610 0.0000 0.0000 34200.0473 -149494.0546 298.6775 -183694.1019 -149396.8620 299.4899 -244.4508 -211.8636 557693.0327 -0.8857 -0.8075 PRESSURE: 1984600 -146.357 -39.9364 51.6303 -39.9361 38.2875 -4.69033 51.6309 -4.69097 128.661 GPRESSURE: 1984600 -71.6798 6.02642 98.1928 -18.8708 57.8744 -73.136 -24.6379 54.8777 133.478 PRESSAVG: 1984600 13.8267 -2.51505 10.176 -2.51498 25.1458 2.29317 10.1761 2.2932 -83.2874 GPRESSAVG: 1984600 14.9085 -1.04367 7.89632 -2.08016 24.7061 0.243464 10.9985 2.68061 -84.0362 TIMING: 1984600 CPU: 5905.64, 0.00299848/step Wall: 5905.64, 0.00299848/step, 2.51156 hours remaining, 206.570312 MB of memory in use. ENERGY: 1984600 718.9008 2092.1253 1929.3186 110.8011 -206478.9877 17798.4733 0.0000 0.0000 34241.2490 -149588.1195 299.0373 -183829.3685 -149493.8662 299.2821 6.8639 39.8910 555333.9054 -14.7717 -14.8072 PRESSURE: 1984800 16.666 -34.42 185.194 -34.4207 -160.543 74.62 185.194 74.6208 -278.629 GPRESSURE: 1984800 30.3811 -8.32885 245.741 38.267 -155.514 132.306 139.146 131.901 -205.874 PRESSAVG: 1984800 -44.6505 20.9291 -2.81582 20.9291 50.3002 -23.0076 -2.81582 -23.0076 34.3327 GPRESSAVG: 1984800 -46.0011 21.6376 -0.663273 21.4279 50.8827 -21.4354 -3.34065 -23.8112 34.4519 TIMING: 1984800 CPU: 5906.23, 0.00295394/step Wall: 5906.23, 0.00295394/step, 2.47409 hours remaining, 206.625000 MB of memory in use. ENERGY: 1984800 744.1447 2168.4159 1947.5023 116.8155 -206347.3331 17682.4074 0.0000 0.0000 33898.9405 -149789.1069 296.0479 -183688.0474 -149695.7037 298.5352 -140.8354 -110.3356 555674.6627 13.3274 13.1112 PRESSURE: 1985000 -241.808 21.9537 -76.9754 21.9539 -75.7251 -50.7854 -76.9741 -50.7852 -144.341 GPRESSURE: 1985000 -177.023 -42.0411 -2.1966 64.3846 -87.9943 -79.4042 -95.4151 -69.0329 -105.285 PRESSAVG: 1985000 9.27105 -23.7376 48.2505 -23.7376 -31.2302 2.70133 48.2505 2.70141 -3.94502 GPRESSAVG: 1985000 10.073 -26.5019 47.7845 -24.0047 -31.5852 -0.190498 48.0413 3.25363 -3.21998 TIMING: 1985000 CPU: 5906.82, 0.00296296/step Wall: 5906.82, 0.00296296/step, 2.48148 hours remaining, 206.691406 MB of memory in use. ENERGY: 1985000 727.6110 2123.9097 1951.4177 114.2281 -206243.6245 17597.6335 0.0000 0.0000 34084.6404 -149644.1841 297.6696 -183728.8245 -149535.2468 297.8450 -153.9582 -123.4343 556916.6544 -8.6347 -8.2441 PRESSURE: 1985200 -281.581 0.10666 -83.0418 0.105875 -424.405 -42.9674 -83.0415 -42.9682 -127.725 GPRESSURE: 1985200 -283.739 104.221 -92.209 -56.9136 -372.891 -57.6999 -72.5252 -93.4113 -76.3668 PRESSAVG: 1985200 18.0594 -34.4524 -15.6844 -34.4524 -51.9288 -51.6103 -15.6843 -51.6103 -1.60008 GPRESSAVG: 1985200 17.7054 -33.3775 -14.5172 -33.7544 -52.3707 -48.6714 -16.1315 -53.6527 -0.92469 TIMING: 1985200 CPU: 5907.42, 0.00298595/step Wall: 5907.42, 0.00298595/step, 2.50057 hours remaining, 206.691406 MB of memory in use. ENERGY: 1985200 808.5835 2086.0865 1970.1502 128.1242 -206661.6135 17732.6686 0.0000 0.0000 34300.6864 -149635.3140 299.5564 -183936.0004 -149539.6902 298.4850 -277.9041 -244.3323 558439.7300 -11.8231 -11.8633 PRESSURE: 1985400 -226.212 -42.6703 -36.205 -42.6702 -263.771 20.2344 -36.2058 20.2332 -154.333 GPRESSURE: 1985400 -129.794 -78.5007 17.1478 -17.091 -319.485 -64.8274 -33.5405 108.859 -95.9649 PRESSAVG: 1985400 29.6021 -20.0237 25.1231 -20.0237 15.5376 -27.3734 25.1231 -27.3734 -20.6366 GPRESSAVG: 1985400 30.21 -18.9568 22.7163 -19.2855 15.3935 -27.9732 24.77 -25.6877 -21.6097 TIMING: 1985400 CPU: 5908.02, 0.00297127/step Wall: 5908.02, 0.00297127/step, 2.48811 hours remaining, 206.691406 MB of memory in use. ENERGY: 1985400 760.1266 2093.7783 1942.1641 137.1582 -206309.2696 17663.1910 0.0000 0.0000 34128.8977 -149583.9536 298.0562 -183712.8513 -149494.5204 299.1291 -214.7722 -181.7480 557607.7364 8.1677 7.9980 PRESSURE: 1985600 -146.888 -100.027 -45.6884 -100.028 -106.174 -94.7465 -45.6882 -94.7457 -334.936 GPRESSURE: 1985600 -147.22 -136.356 -95.4925 -76.0946 -45.1545 -118.58 -46.1386 -113.498 -291.675 PRESSAVG: 1985600 1.11632 22.1758 26.7995 22.1758 31.9496 -18.4171 26.7994 -18.4172 -56.7986 GPRESSAVG: 1985600 -1.02818 20.8966 28.5419 22.0779 33.8349 -20.1192 27.5362 -18.0817 -56.5757 TIMING: 1985600 CPU: 5908.61, 0.00298562/step Wall: 5908.61, 0.00298562/step, 2.49996 hours remaining, 206.691406 MB of memory in use. ENERGY: 1985600 752.4266 2162.0518 1948.6995 112.3958 -206192.3606 17625.6108 0.0000 0.0000 34158.8586 -149432.3176 298.3178 -183591.1762 -149341.5781 299.3344 -195.9995 -161.3497 559400.6035 -7.9109 -7.9230 PRESSURE: 1985800 -85.1961 -64.0339 -124.242 -64.0332 3.9152 -20.0275 -124.242 -20.028 99.3897 GPRESSURE: 1985800 -29.2469 -140.715 -91.9168 -48.1679 30.956 -30.0718 -146.138 -72.4916 124.483 PRESSAVG: 1985800 20.8364 37.1734 -33.1641 37.1734 -25.6153 -1.69054 -33.1641 -1.69065 -41.3152 GPRESSAVG: 1985800 21.3453 39.4177 -33.8182 35.9471 -26.7351 -0.512478 -31.843 -3.21763 -41.1899 TIMING: 1985800 CPU: 5909.2, 0.00295555/step Wall: 5909.2, 0.00295555/step, 2.47461 hours remaining, 206.691406 MB of memory in use. ENERGY: 1985800 718.3534 2113.6034 1960.0689 117.5358 -206437.3279 17874.0577 0.0000 0.0000 34422.4333 -149231.2753 300.6197 -183653.7086 -149133.6356 298.8880 6.0362 42.0641 559544.4374 -15.3647 -15.5265 PRESSURE: 1986000 107.923 138.811 -154.02 138.81 176.62 71.6099 -154.019 71.609 189.437 GPRESSURE: 1986000 122.393 190.664 -150.213 102.294 231.013 135.053 -108.52 -35.0023 225.746 PRESSAVG: 1986000 70.2015 6.67537 -14.5973 6.67532 -14.1194 -34.5048 -14.5974 -34.5048 -74.1581 GPRESSAVG: 1986000 72.0109 5.61645 -14.1617 6.31147 -14.8061 -34.0028 -15.6118 -33.781 -75.6255 TIMING: 1986000 CPU: 5909.8, 0.0029893/step Wall: 5909.8, 0.0029893/step, 2.5027 hours remaining, 206.691406 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: 1986000 741.4213 2082.6486 1921.4311 113.3126 -206327.9412 18070.4625 0.0000 0.0000 34205.2497 -149193.4154 298.7230 -183398.6651 -149088.8279 298.8561 157.9931 193.0505 557336.3217 -6.0253 -6.1402 PRESSURE: 1986200 -50.3946 3.56046 -222.423 3.56044 186.521 -129.715 -222.423 -129.714 154.561 GPRESSURE: 1986200 13.4702 -3.46951 -313.163 -53.6802 222.951 -82.1564 -179.326 -117.094 140.813 PRESSAVG: 1986200 54.5445 -0.690836 -8.05851 -0.69085 37.2329 10.4953 -8.05842 10.4953 -102.558 GPRESSAVG: 1986200 53.5298 -2.13646 -6.95879 2.78673 38.2115 10.0069 -8.46045 10.5083 -102.894 TIMING: 1986200 CPU: 5910.4, 0.00297311/step Wall: 5910.4, 0.00297311/step, 2.48899 hours remaining, 206.691406 MB of memory in use. ENERGY: 1986200 791.3430 2083.0237 1925.1381 120.3623 -206352.5339 18007.4132 0.0000 0.0000 34335.0904 -149090.1631 299.8569 -183425.2535 -148999.0438 299.9748 96.8958 125.7445 558336.9913 -3.5936 -3.7175 PRESSURE: 1986400 -232.32 153.222 -28.9256 153.222 176.717 78.2858 -28.9266 78.2835 -373.29 GPRESSURE: 1986400 -156.727 139.826 -45.0764 105.316 67.9713 -4.3813 -54.8087 117.648 -248.629 PRESSAVG: 1986400 26.4804 5.06551 14.447 5.06558 5.17471 2.03723 14.4469 2.03725 -11.6142 GPRESSAVG: 1986400 26.6206 5.8126 12.8844 3.98545 4.24796 1.01998 16.0345 1.74715 -10.5225 TIMING: 1986400 CPU: 5910.99, 0.0029912/step Wall: 5910.99, 0.0029912/step, 2.50397 hours remaining, 206.691406 MB of memory in use. ENERGY: 1986400 731.8541 2110.8801 1952.5148 112.4513 -205855.6485 17586.6609 0.0000 0.0000 34295.5552 -149065.7321 299.5116 -183361.2873 -148964.4508 300.9590 -142.9645 -112.4616 559710.5820 6.6803 6.7820 PRESSURE: 1986600 -225.246 -162.319 -75.99 -162.319 -42.3641 99.2799 -75.9909 99.2787 -171.567 GPRESSURE: 1986600 -192.126 -161.834 -82.7351 -112.868 35.1323 38.7339 3.73337 50.2685 -186.057 PRESSAVG: 1986600 -10.1363 -61.6131 -4.50481 -61.6132 1.52615 -3.80915 -4.50477 -3.8092 -10.5604 GPRESSAVG: 1986600 -9.47973 -61.5821 -4.47612 -62.8026 2.65878 -3.27246 -5.59181 -4.11275 -11.3397 TIMING: 1986600 CPU: 5911.59, 0.00297582/step Wall: 5911.59, 0.00297582/step, 2.49093 hours remaining, 206.691406 MB of memory in use. ENERGY: 1986600 722.2971 2157.9055 1959.7757 124.0576 -205949.6701 17653.5273 0.0000 0.0000 34181.7401 -149150.3667 298.5176 -183332.1068 -149050.7560 299.7046 -146.3923 -114.3502 560611.6232 -6.3902 -6.0535 PRESSURE: 1986800 158.947 27.9431 -66.4603 27.9427 -95.6789 -90.9565 -66.4611 -90.9564 17.5204 GPRESSURE: 1986800 219.055 23.0618 32.8948 -35.6804 -73.6834 -126.946 -53.6796 -45.9779 26.8306 PRESSAVG: 1986800 34.2803 -27.4128 -54.7321 -27.413 23.8733 -44.9316 -54.7321 -44.9315 -53.2326 GPRESSAVG: 1986800 34.5999 -27.2027 -56.0831 -27.2892 23.0105 -44.8429 -53.5406 -42.759 -53.2331 TIMING: 1986800 CPU: 5912.18, 0.00295509/step Wall: 5912.18, 0.00295509/step, 2.47341 hours remaining, 206.691406 MB of memory in use. ENERGY: 1986800 745.0774 2138.9477 1950.4276 109.7026 -206322.4180 17853.3530 0.0000 0.0000 34492.8846 -149032.0249 301.2349 -183524.9096 -148941.5418 299.4330 26.9295 57.4006 558230.4272 1.6403 1.4591 PRESSURE: 1987000 -23.6803 -49.4617 -69.5767 -49.4615 -133.694 95.6327 -69.5774 95.6336 -57.5923 GPRESSURE: 1987000 17.5786 -61.8429 -13.9448 -55.4043 -106.438 96.7839 -45.8406 87.9073 -29.4383 PRESSAVG: 1987000 28.8231 12.2085 -27.3057 12.2086 20.7429 37.2557 -27.3056 37.2557 4.33301 GPRESSAVG: 1987000 27.5889 13.0551 -24.2353 10.9101 21.2007 35.2646 -30.6367 37.0174 5.16665 TIMING: 1987000 CPU: 5912.78, 0.00298173/step Wall: 5912.78, 0.00298173/step, 2.49554 hours remaining, 206.691406 MB of memory in use. ENERGY: 1987000 777.2986 2149.0887 1959.1171 111.9117 -205980.6368 17736.1857 0.0000 0.0000 34332.3721 -148914.6629 299.8331 -183247.0350 -148824.2410 300.6236 -71.6555 -39.4324 557779.0512 17.9663 17.9854 PRESSURE: 1987200 -160.707 86.6815 233.025 86.6808 122.76 -13.0523 233.024 -13.0519 -95.0049 GPRESSURE: 1987200 -198.507 154.765 163.995 63.2105 239.501 12.4328 229.89 -16.1901 -71.7136 PRESSAVG: 1987200 -5.20067 39.9335 -10.7593 39.9334 18.7103 5.60315 -10.7593 5.60315 -18.3444 GPRESSAVG: 1987200 -3.67226 39.2655 -12.7869 40.7104 18.1697 7.84389 -9.5795 3.06352 -18.9139 TIMING: 1987200 CPU: 5913.37, 0.00298607/step Wall: 5913.37, 0.00298607/step, 2.49901 hours remaining, 206.691406 MB of memory in use. ENERGY: 1987200 767.0482 2068.9139 1952.1293 120.1409 -206251.6539 17729.4538 0.0000 0.0000 34574.8931 -149039.0747 301.9511 -183613.9678 -148935.8050 300.3846 -44.3175 -10.2400 556541.2509 -1.6116 -1.4722 PRESSURE: 1987400 131.5 78.6405 54.8368 78.6406 -78.0923 15.2589 54.8377 15.2584 170.936 GPRESSURE: 1987400 173.767 172.969 37.4076 97.4198 31.1643 6.58546 15.6259 -8.19573 111.201 PRESSAVG: 1987400 33.216 19.9233 36.2989 19.9232 -10.3245 54.2069 36.299 54.207 -4.62551 GPRESSAVG: 1987400 32.6119 21.3097 37.1213 19.0893 -10.6072 51.7768 36.3707 54.1598 -4.06033 TIMING: 1987400 CPU: 5913.97, 0.00297958/step Wall: 5913.97, 0.00297958/step, 2.49341 hours remaining, 206.691406 MB of memory in use. ENERGY: 1987400 783.8450 2126.2589 1938.5716 112.5105 -206080.9727 17874.3907 0.0000 0.0000 34180.2036 -149065.1924 298.5042 -183245.3960 -148974.1111 300.0466 74.7812 105.3774 556509.2232 6.0887 5.9815 PRESSURE: 1987600 125.153 267.402 32.2551 267.403 109.367 98.1826 32.2543 98.1822 214.944 GPRESSURE: 1987600 196.91 140.542 -60.3916 249.64 110.086 44.5722 38.2422 152.082 249.458 PRESSAVG: 1987600 -5.80398 47.9832 87.8245 47.9832 30.0959 34.0872 87.8244 34.0871 -41.3501 GPRESSAVG: 1987600 -6.09328 46.5382 87.5186 48.343 30.4636 35.6927 88.1913 36.455 -41.4075 TIMING: 1987600 CPU: 5914.56, 0.00297286/step Wall: 5914.56, 0.00297286/step, 2.48762 hours remaining, 206.691406 MB of memory in use. ENERGY: 1987600 747.1252 2094.4142 1971.5587 112.5819 -206383.7123 18088.9218 0.0000 0.0000 34246.2039 -149122.9067 299.0806 -183369.1106 -149034.5709 299.7090 149.8215 185.4844 556764.8573 -5.6861 -5.6790 PRESSURE: 1987800 106.185 119.572 -26.9304 119.572 -127.683 -14.6567 -26.9296 -14.6573 -82.3278 GPRESSURE: 1987800 52.6224 127.98 -11.9227 18.6377 -6.59281 5.41576 9.84357 -5.44634 -51.6809 PRESSAVG: 1987800 -17.0096 0.234764 -17.2062 0.234794 8.19891 17.5431 -17.2062 17.5432 83.6969 GPRESSAVG: 1987800 -16.6477 -0.147017 -17.2926 1.55819 7.70308 16.7951 -16.9061 16.1844 84.2915 TIMING: 1987800 CPU: 5915.16, 0.00296548/step Wall: 5915.16, 0.00296548/step, 2.48128 hours remaining, 206.691406 MB of memory in use. ENERGY: 1987800 717.3599 2135.3611 1945.1820 118.4142 -205881.5479 17599.7343 0.0000 0.0000 34246.0484 -149119.4480 299.0793 -183365.4963 -149029.9903 300.1543 -34.6087 -1.8838 556646.8692 24.9621 25.1156 PRESSURE: 1988000 200.526 -31.2659 -74.2998 -31.2649 62.512 122.406 -74.3015 122.407 74.4594 GPRESSURE: 1988000 280.84 8.28488 -112.847 -92.9597 15.4045 85.0864 -75.5365 140.786 132.839 PRESSAVG: 1988000 -49.7338 76.5257 36.5925 76.5257 16.1708 22.9076 36.5926 22.9078 61.5638 GPRESSAVG: 1988000 -50.2664 76.2905 34.656 75.2872 16.2189 22.729 38.013 24.7737 62.1271 TIMING: 1988000 CPU: 5915.76, 0.00299644/step Wall: 5915.76, 0.00299644/step, 2.50702 hours remaining, 206.691406 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: 1988000 750.7857 2116.5265 1925.0220 105.1353 -206188.2101 17848.5065 0.0000 0.0000 34289.4221 -149152.8120 299.4581 -183442.2341 -149052.3730 299.5359 112.4990 143.0279 555906.0039 9.3336 9.3599 PRESSURE: 1988200 -155.603 -106.577 188.999 -106.577 -356.68 -129.644 188.998 -129.643 32.9757 GPRESSURE: 1988200 -203.839 -111.074 140.872 -144.622 -282.891 -163.376 170.369 -153.407 101.992 PRESSAVG: 1988200 74.8353 -28.5662 13.489 -28.5661 -63.3216 -5.22809 13.489 -5.22806 3.36685 GPRESSAVG: 1988200 74.5462 -27.7884 14.7636 -27.3371 -63.5124 -4.49063 11.6756 -7.57008 3.41102 TIMING: 1988200 CPU: 5916.35, 0.00298237/step Wall: 5916.35, 0.00298237/step, 2.49509 hours remaining, 206.691406 MB of memory in use. ENERGY: 1988200 745.5582 2030.0727 1937.5923 126.6403 -206036.5898 17477.4056 0.0000 0.0000 34320.4300 -149398.8907 299.7289 -183719.3207 -149300.4781 299.2508 -159.7690 -128.2459 557305.3268 4.9602 4.8150 LDB: ============= START OF LOAD BALANCING ============== 5919.78 LDB: ============== END OF LOAD BALANCING =============== 5919.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5919.78 LDB: ============= START OF LOAD BALANCING ============== 5920.08 LDB: Largest compute 4821 load 0.026292 is 22.3% of average load 0.118024 LDB: Average compute 0.001714 is 1.5% of average load 0.118024 LDB: TIME 5920.08 LOAD: AVG 0.118024 MAX 0.201487 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.359 MB LDB: TIME 5920.08 LOAD: AVG 0.118024 MAX 0.201487 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: TIME 5920.08 LOAD: AVG 0.118024 MAX 0.201487 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5920.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5920.09 PRESSURE: 1988400 -43.0949 53.887 20.3128 53.8856 -62.0276 -89.5919 20.3119 -89.5921 -214.988 GPRESSURE: 1988400 -8.97769 159.613 43.9749 -53.0359 -16.5648 -131.63 -27.7337 -56.0989 -199.302 PRESSAVG: 1988400 33.9124 -7.47774 -26.7222 -7.47782 17.3105 14.1753 -26.7222 14.1752 -48.5475 GPRESSAVG: 1988400 33.2253 -5.80144 -26.5888 -7.96657 17.842 14.4968 -26.0928 15.8092 -48.6587 TIMING: 1988400 CPU: 5916.96, 0.00302714/step Wall: 5916.96, 0.00302714/step, 2.53237 hours remaining, 204.917969 MB of memory in use. ENERGY: 1988400 739.7066 2058.2512 1939.5665 111.6366 -206163.5677 17663.4539 0.0000 0.0000 34281.5343 -149369.4186 299.3892 -183650.9529 -149271.3518 299.6577 -106.7034 -74.9482 557751.6252 0.8918 0.8029 PRESSURE: 1988600 -52.3424 -53.1272 -154.244 -53.1264 -81.383 30.5396 -154.243 30.54 -48.4134 GPRESSURE: 1988600 -66.5827 43.3196 -52.3352 -54.2298 -10.9035 12.6165 -224.214 93.9139 -10.8985 PRESSAVG: 1988600 29.6858 29.2496 -17.5541 29.2496 -19.1727 -36.6876 -17.554 -36.6877 -3.97578 GPRESSAVG: 1988600 30.7562 27.8163 -16.4149 28.5961 -19.2918 -36.4931 -16.9531 -35.4104 -4.5881 TIMING: 1988600 CPU: 5917.55, 0.00296226/step Wall: 5917.55, 0.00296226/step, 2.47793 hours remaining, 204.917969 MB of memory in use. ENERGY: 1988600 706.7097 2074.8580 1934.9507 104.4519 -206102.3915 17742.7364 0.0000 0.0000 34105.5229 -149433.1620 297.8520 -183538.6849 -149335.2234 299.0994 -60.7130 -29.4616 558648.0112 2.1791 2.2921 PRESSURE: 1988800 -283.722 105.672 -160.688 105.671 -11.5 12.5392 -160.687 12.5399 86.7958 GPRESSURE: 1988800 -241.411 -20.8966 -215.582 69.7666 32.9589 29.1772 -103.123 -41.1143 100.997 PRESSAVG: 1988800 8.16637 5.41278 20.8067 5.41282 -30.6076 -30.8566 20.8067 -30.8568 32.7821 GPRESSAVG: 1988800 6.89131 5.48069 20.2277 5.85662 -30.1144 -31.6931 21.3457 -32.0403 33.6072 TIMING: 1988800 CPU: 5918.15, 0.00297689/step Wall: 5918.15, 0.00297689/step, 2.49 hours remaining, 204.917969 MB of memory in use. ENERGY: 1988800 774.6144 2016.0778 1937.2552 114.0628 -206137.1338 17780.5684 0.0000 0.0000 34081.6993 -149432.8558 297.6440 -183514.5551 -149335.0373 298.1024 -69.4755 -35.8183 558119.8275 3.4470 3.4614 PRESSURE: 1989000 51.3681 7.33613 76.3775 7.33511 40.0846 91.5821 76.3769 91.5819 -284.166 GPRESSURE: 1989000 30.5604 5.65805 33.7493 -1.7538 122.889 47.7902 92.3382 66.4038 -251.573 PRESSAVG: 1989000 51.9694 -23.5889 29.4576 -23.589 -79.4952 -0.897009 29.4576 -0.897096 29.9527 GPRESSAVG: 1989000 52.3698 -26.9911 28.886 -21.0946 -80.3941 0.106474 29.231 -3.9541 29.9553 TIMING: 1989000 CPU: 5918.74, 0.00297586/step Wall: 5918.74, 0.00297586/step, 2.48898 hours remaining, 204.917969 MB of memory in use. ENERGY: 1989000 767.4988 2134.3616 1923.3387 107.4338 -206290.7690 17909.5507 0.0000 0.0000 33988.1566 -149460.4288 296.8270 -183448.5855 -149362.9662 298.3820 -64.2377 -32.7080 560162.7019 0.8090 0.6437 PRESSURE: 1989200 125.069 -79.2312 145.067 -79.2314 -39.2864 -80.5582 145.066 -80.5564 -252.272 GPRESSURE: 1989200 130.025 -176.932 201.111 -51.5185 -9.45906 -28.5276 161.986 -102.918 -215.247 PRESSAVG: 1989200 7.98697 21.5604 48.7732 21.5604 -10.2282 38.0506 48.7733 38.0506 -39.1226 GPRESSAVG: 1989200 7.7244 24.406 49.118 19.6961 -9.74812 37.3148 46.7844 40.9478 -39.2156 TIMING: 1989200 CPU: 5919.33, 0.00296194/step Wall: 5919.33, 0.00296194/step, 2.47717 hours remaining, 204.917969 MB of memory in use. ENERGY: 1989200 732.7915 2142.3407 1947.2185 102.3716 -206043.3538 17723.5303 0.0000 0.0000 34039.6274 -149355.4739 297.2765 -183395.1013 -149265.3757 298.9407 -55.4967 -31.5601 558094.4443 -13.7880 -13.7464 PRESSURE: 1989400 69.668 86.546 51.1453 86.5471 81.5163 47.1651 51.1463 47.1662 -19.2603 GPRESSURE: 1989400 31.7107 65.3053 42.0149 72.9079 175.166 18.4199 50.2544 122.941 23.0233 PRESSAVG: 1989400 -38.3956 -36.8484 41.7937 -36.8484 92.4108 -13.4266 41.7937 -13.4266 -23.9626 GPRESSAVG: 1989400 -37.9968 -35.7513 39.9601 -37.4333 92.3118 -13.5428 43.1961 -11.6445 -24.3887 TIMING: 1989400 CPU: 5919.94, 0.00301/step Wall: 5919.94, 0.00301/step, 2.51719 hours remaining, 204.917969 MB of memory in use. ENERGY: 1989400 740.6479 2093.2365 1943.1818 113.8335 -206240.6188 17820.3736 0.0000 0.0000 34175.7230 -149353.6224 298.4651 -183529.3455 -149260.4253 298.7353 43.9746 76.6332 557593.9838 10.0175 9.9755 PRESSURE: 1989600 -58.0094 -82.3742 56.3511 -82.3759 -69.0342 -21.077 56.3505 -21.0777 -159.06 GPRESSURE: 1989600 -44.1674 -91.3932 8.42158 -54.3533 -18.4987 20.6192 58.3195 -33.9364 -134.195 PRESSAVG: 1989600 -30.0752 -29.0863 -17.0571 -29.0863 33.1762 -43.9994 -17.0571 -43.9994 15.6069 GPRESSAVG: 1989600 -29.8097 -30.7292 -14.5043 -29.2317 33.7563 -43.7251 -17.6003 -46.3512 14.956 TIMING: 1989600 CPU: 5920.54, 0.00300593/step Wall: 5920.54, 0.00300593/step, 2.51362 hours remaining, 204.917969 MB of memory in use. ENERGY: 1989600 740.6318 2128.1611 1918.1530 103.5499 -206308.5638 17777.2522 0.0000 0.0000 34206.9744 -149433.8414 298.7380 -183640.8158 -149338.9983 299.5946 -95.3680 -65.6203 558300.6472 6.2360 6.3009 PRESSURE: 1989800 -36.7699 -24.3629 -26.3724 -24.3627 139.436 -123.97 -26.3724 -123.969 -210.07 GPRESSURE: 1989800 -28.4453 -51.2095 -2.39676 64.4833 140.681 -133.204 -80.0186 -27.6426 -135.989 PRESSAVG: 1989800 56.2329 -36.7115 47.6115 -36.7116 11.8161 -36.7048 47.6114 -36.7048 -58.6244 GPRESSAVG: 1989800 55.5804 -37.3886 44.9688 -37.9171 11.5885 -36.9835 46.8022 -33.5067 -57.8478 TIMING: 1989800 CPU: 5921.13, 0.00296858/step Wall: 5921.13, 0.00296858/step, 2.48223 hours remaining, 204.917969 MB of memory in use. ENERGY: 1989800 750.2727 2055.6537 1915.6040 116.0803 -206355.1069 17872.7919 0.0000 0.0000 34328.0225 -149316.6816 299.7952 -183644.7042 -149225.1689 299.6713 -35.8015 -7.9179 556807.8556 3.1416 3.1070 PRESSURE: 1990000 -72.1251 -135.308 38.764 -135.309 -62.2524 192.846 38.7629 192.848 -343.543 GPRESSURE: 1990000 -79.2507 -76.2763 48.21 -93.4276 -40.1441 151.22 47.8056 219.135 -265.509 PRESSAVG: 1990000 33.9969 -5.71832 7.42584 -5.71833 -48.4529 97.6443 7.42595 97.6443 40.6233 GPRESSAVG: 1990000 33.5893 -6.10984 7.84704 -4.80988 -47.8461 97.0395 8.83899 93.5848 40.3912 TIMING: 1990000 CPU: 5921.73, 0.00298905/step Wall: 5921.73, 0.00298905/step, 2.49917 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: 1990000 707.4554 2095.8708 1935.5049 112.6975 -206118.9829 17612.6577 0.0000 0.0000 34436.9415 -149217.8552 300.7464 -183654.7967 -149119.7173 299.7688 -159.3068 -128.3011 558101.3237 8.7224 8.7115 PRESSURE: 1990200 -155.557 -145.433 115.706 -145.433 141.377 63.6868 115.707 63.6864 -129.781 GPRESSURE: 1990200 -102.938 -190.24 62.7338 -90.8756 164.345 21.0462 119.275 154.884 -101.777 PRESSAVG: 1990200 -43.7791 -28.6475 20.751 -28.6476 35.3562 19.0537 20.7511 19.0536 -7.07208 GPRESSAVG: 1990200 -43.386 -25.9841 22.122 -30.4416 33.5672 19.5098 19.3875 20.2472 -6.24038 TIMING: 1990200 CPU: 5922.32, 0.00297692/step Wall: 5922.32, 0.00297692/step, 2.48887 hours remaining, 204.917969 MB of memory in use. ENERGY: 1990200 703.5801 2097.6014 1924.3304 113.8936 -206071.4981 17576.8575 0.0000 0.0000 34354.7223 -149300.5129 300.0283 -183655.2352 -149197.1718 299.3097 -47.9868 -13.4568 555650.2800 -5.1650 -5.3531 PRESSURE: 1990400 -118.893 -98.3516 8.53597 -98.3511 18.2404 100.339 8.53579 100.338 181.272 GPRESSURE: 1990400 -35.9483 -146.934 33.4581 -109.138 44.3494 121.78 -30.9179 150.303 186.732 PRESSAVG: 1990400 -17.209 10.6625 -3.75234 10.6624 -20.229 41.9469 -3.75233 41.9469 33.0369 GPRESSAVG: 1990400 -17.8503 9.82314 -6.3036 13.812 -18.6292 42.7822 -1.20211 42.8129 31.6326 TIMING: 1990400 CPU: 5922.92, 0.00297681/step Wall: 5922.92, 0.00297681/step, 2.48861 hours remaining, 204.917969 MB of memory in use. ENERGY: 1990400 681.9249 2089.7618 1929.2325 112.4544 -206044.7119 17698.4089 0.0000 0.0000 34133.5446 -149399.3847 298.0967 -183532.9293 -149308.4664 299.0510 26.8729 65.0442 557178.4911 -1.4671 -1.6156 PRESSURE: 1990600 -165.076 -13.6368 -96.5891 -13.6364 -281.642 174.952 -96.5884 174.953 -158.554 GPRESSURE: 1990600 -135.169 53.8319 -32.4489 6.30137 -267.948 232.75 -134.17 78.8343 -99.0045 PRESSAVG: 1990600 2.91965 39.3247 -22.082 39.3247 28.8907 16.3759 -22.082 16.3758 -7.68822 GPRESSAVG: 1990600 2.4856 38.4487 -20.3614 38.2045 27.8238 15.711 -23.9835 15.7883 -6.34956 TIMING: 1990600 CPU: 5923.52, 0.00299361/step Wall: 5923.52, 0.00299361/step, 2.50249 hours remaining, 204.917969 MB of memory in use. ENERGY: 1990600 746.6223 2087.3686 1931.0530 108.5530 -205774.1016 17368.9472 0.0000 0.0000 34204.7609 -149326.7966 298.7187 -183531.5575 -149233.4997 299.5025 -201.7574 -167.3740 556218.0867 8.0407 7.9866 PRESSURE: 1990800 49.8215 99.8762 -18.0496 99.8773 -41.5045 103.803 -18.0501 103.802 -162.108 GPRESSURE: 1990800 30.0808 110.935 -20.9858 119.978 -14.5186 111.416 -22.2422 99.6897 -72.7523 PRESSAVG: 1990800 -49.8065 97.161 -42.153 97.1609 34.46 -14.6218 -42.153 -14.6219 1.14346 GPRESSAVG: 1990800 -49.8859 99.1102 -43.0199 94.553 35.2732 -15.4994 -41.7073 -14.6908 0.617207 TIMING: 1990800 CPU: 5924.11, 0.00298232/step Wall: 5924.11, 0.00298232/step, 2.49289 hours remaining, 204.917969 MB of memory in use. ENERGY: 1990800 751.6569 2059.1422 1934.9921 118.8598 -206103.3162 17698.9861 0.0000 0.0000 34317.3070 -149222.3721 299.7016 -183539.6791 -149123.3045 299.3614 -51.2638 -19.0634 557752.9648 -4.7344 -4.6652 PRESSURE: 1991000 -75.6447 44.9481 150.654 44.9479 70.9422 -202.298 150.654 -202.299 -27.7336 GPRESSURE: 1991000 -1.59087 52.2338 135.591 91.7557 109.236 -208.302 176.352 -305.13 -52.5903 PRESSAVG: 1991000 -48.0227 54.0759 -65.3303 54.076 53.6293 -14.4144 -65.3303 -14.4143 -1.45022 GPRESSAVG: 1991000 -46.8216 54.2175 -65.275 53.2703 52.7741 -15.2702 -65.8141 -15.0961 -2.14497 TIMING: 1991000 CPU: 5924.71, 0.00298049/step Wall: 5924.71, 0.00298049/step, 2.49119 hours remaining, 204.917969 MB of memory in use. ENERGY: 1991000 767.6772 2123.5468 1966.8133 127.0016 -206568.9446 17964.9829 0.0000 0.0000 34146.7987 -149472.1242 298.2125 -183618.9229 -149377.9238 298.9676 -10.8121 18.3516 557762.9101 1.3854 1.2692 PRESSURE: 1991200 74.7962 -111.674 73.6319 -111.674 -278.942 4.21786 73.631 4.21848 157.04 GPRESSURE: 1991200 139.679 -87.1626 36.7081 -183.239 -269.461 65.0341 78.5932 -64.2272 173.544 PRESSAVG: 1991200 1.09229 -34.496 21.2483 -34.4961 -51.0118 -23.201 21.2483 -23.2011 41.2615 GPRESSAVG: 1991200 1.39828 -35.2478 22.5577 -33.7543 -50.1361 -22.3365 20.0365 -22.2126 40.2907 TIMING: 1991200 CPU: 5925.3, 0.0029591/step Wall: 5925.3, 0.0029591/step, 2.47315 hours remaining, 204.917969 MB of memory in use. ENERGY: 1991200 726.5673 2141.0189 1948.4938 127.8476 -206398.2530 17820.2587 0.0000 0.0000 34050.2893 -149583.7774 297.3696 -183634.0667 -149485.5784 299.0033 -15.7018 14.5874 557380.9751 -2.8860 -2.8157 PRESSURE: 1991400 -37.12 -24.9504 -8.39255 -24.9516 22.2357 19.9401 -8.39384 19.9396 -134.139 GPRESSURE: 1991400 -18.8678 -34.6826 -55.0825 -80.5404 76.7117 25.3015 23.9066 -17.5787 -106.392 PRESSAVG: 1991400 -10.4875 -22.8205 -32.6706 -22.8205 -21.5452 25.6134 -32.6706 25.6133 27.7415 GPRESSAVG: 1991400 -10.6683 -23.0561 -34.8186 -21.5532 -22.7801 27.814 -30.0149 23.3908 29.2499 TIMING: 1991400 CPU: 5925.9, 0.00299553/step Wall: 5925.9, 0.00299553/step, 2.50343 hours remaining, 204.917969 MB of memory in use. ENERGY: 1991400 800.1739 2053.4868 1927.7478 112.3800 -206483.8532 17844.8856 0.0000 0.0000 34314.1485 -149431.0306 299.6740 -183745.1791 -149329.6936 298.5804 -49.6743 -16.1827 556790.4824 -1.4304 -1.3995 PRESSURE: 1991600 -10.4345 105.11 38.9991 105.11 14.1426 236.569 38.9989 236.57 319.636 GPRESSURE: 1991600 28.5014 51.896 25.3595 90.4871 44.8888 180.839 13.6585 211.595 343.007 PRESSAVG: 1991600 -68.0007 -22.2122 -37.548 -22.2123 0.318712 11.8964 -37.5481 11.8963 68.2303 GPRESSAVG: 1991600 -70.288 -22.6798 -33.048 -21.3289 1.95694 9.88496 -42.0551 15.1531 68.967 TIMING: 1991600 CPU: 5926.5, 0.00300472/step Wall: 5926.5, 0.00300472/step, 2.51094 hours remaining, 204.917969 MB of memory in use. ENERGY: 1991600 761.6079 2147.7380 1924.0848 116.4107 -206517.8453 17881.3898 0.0000 0.0000 34265.5472 -149421.0669 299.2495 -183686.6141 -149329.3698 298.6547 107.7815 138.7990 556226.2492 0.1828 0.2120 PRESSURE: 1991800 -75.2077 1.78214 -140.888 1.78271 73.4577 -102.328 -140.888 -102.327 156.117 GPRESSURE: 1991800 -71.7854 -73.1086 -123.97 -11.8213 151.872 -102.84 -90.3369 -58.1626 169.997 PRESSAVG: 1991800 -53.0926 32.6556 -7.28228 32.6557 29.0197 -35.6643 -7.28227 -35.6643 0.850236 GPRESSAVG: 1991800 -52.534 33.0622 -8.70161 32.6561 28.1674 -35.5451 -4.39781 -36.459 0.697266 TIMING: 1991800 CPU: 5927.1, 0.00296977/step Wall: 5927.1, 0.00296977/step, 2.48158 hours remaining, 204.917969 MB of memory in use. ENERGY: 1991800 813.1087 2101.9469 1937.9914 110.8550 -206234.4182 17853.2470 0.0000 0.0000 34048.0453 -149369.2238 297.3500 -183417.2691 -149271.9259 298.7380 51.4555 83.3610 557588.2278 -7.7409 -7.8898 PRESSURE: 1992000 -184.411 71.1413 16.4888 71.1417 -212.011 -52.2339 16.488 -52.2335 -158.634 GPRESSURE: 1992000 -170.418 70.3075 67.5251 57.966 -127.708 -73.5309 -50.794 56.3535 -179.28 PRESSAVG: 1992000 -17.9682 45.3636 -31.0188 45.3636 25.6052 -19.5838 -31.0188 -19.5838 3.53348 GPRESSAVG: 1992000 -16.8467 46.0637 -32.5693 43.4855 25.4377 -19.6706 -30.8999 -19.679 1.7859 TIMING: 1992000 CPU: 5927.69, 0.00296918/step Wall: 5927.69, 0.00296918/step, 2.48092 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: 1992000 779.8191 2085.0320 1966.0403 111.5484 -206104.2143 17731.3768 0.0000 0.0000 34176.2652 -149254.1326 298.4698 -183430.3978 -149159.5108 299.3727 -185.0188 -159.1355 560141.7631 3.7235 3.4590 PRESSURE: 1992200 63.3935 -46.3018 132.145 -46.3023 -227.458 -16.7317 132.145 -16.7311 -96.3379 GPRESSURE: 1992200 105.316 -60.7677 174.84 -48.4482 -182.104 46.149 56.808 -103.003 -86.4407 PRESSAVG: 1992200 -4.38183 19.7111 -27.9986 19.7111 -18.693 58.3749 -27.9986 58.375 17.8371 GPRESSAVG: 1992200 -5.92793 20.5774 -27.5227 20.2957 -18.7098 59.7396 -27.7055 56.8693 19.5661 TIMING: 1992200 CPU: 5928.29, 0.00300847/step Wall: 5928.29, 0.00300847/step, 2.51357 hours remaining, 204.917969 MB of memory in use. ENERGY: 1992200 764.3703 2108.4454 1954.6821 112.2460 -205853.4536 17592.4053 0.0000 0.0000 34124.1219 -149197.1827 298.0144 -183321.3046 -149096.1260 299.1734 -86.8009 -54.4094 557662.3159 -1.7459 -1.6906 LDB: ============= START OF LOAD BALANCING ============== 5931.72 LDB: ============== END OF LOAD BALANCING =============== 5931.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5931.72 LDB: ============= START OF LOAD BALANCING ============== 5932.02 LDB: Largest compute 4821 load 0.024015 is 20.3% of average load 0.118031 LDB: Average compute 0.001721 is 1.5% of average load 0.118031 LDB: TIME 5932.02 LOAD: AVG 0.118031 MAX 0.19923 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 5932.03 LOAD: AVG 0.118031 MAX 0.19923 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.914 MB LDB: TIME 5932.03 LOAD: AVG 0.118031 MAX 0.19923 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.914 MB LDB: ============== END OF LOAD BALANCING =============== 5932.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5932.03 PRESSURE: 1992400 -259.119 28.7066 44.9849 28.7072 -168.822 118.778 44.9848 118.776 23.2217 GPRESSURE: 1992400 -282.489 100.556 37.2293 23.2492 -144.292 87.1898 54.537 129.329 128.186 PRESSAVG: 1992400 -21.9963 30.28 24.769 30.28 15.5782 -42.2111 24.7689 -42.2112 27.1698 GPRESSAVG: 1992400 -21.1199 27.6738 25.8046 31.3597 16.2828 -42.8572 22.1143 -41.2216 25.9534 TIMING: 1992400 CPU: 5928.9, 0.0030479/step Wall: 5928.9, 0.0030479/step, 2.54635 hours remaining, 205.941406 MB of memory in use. ENERGY: 1992400 760.8142 2114.7527 1938.3000 114.1841 -206124.1737 17639.1715 0.0000 0.0000 34364.8844 -149192.0668 300.1171 -183556.9512 -149089.2379 299.4614 -134.9063 -99.5315 557449.4615 6.9172 7.0388 PRESSURE: 1992600 -120.83 15.9115 -113.504 15.9119 123.546 137.751 -113.505 137.749 19.0536 GPRESSURE: 1992600 -159.361 4.08425 -65.363 -18.5171 163.606 171.016 -237.974 78.1214 115.974 PRESSAVG: 1992600 1.70715 -18.8622 28.2035 -18.8622 -33.6946 37.6911 28.2037 37.6912 39.3215 GPRESSAVG: 1992600 0.403049 -17.4882 26.8898 -18.5329 -32.9777 37.6315 31.132 36.9597 40.3701 TIMING: 1992600 CPU: 5929.5, 0.00299141/step Wall: 5929.5, 0.00299141/step, 2.49899 hours remaining, 206.144531 MB of memory in use. ENERGY: 1992600 781.2572 2106.4908 1947.8935 123.0856 -206362.2691 17798.0271 0.0000 0.0000 34366.5602 -149238.9547 300.1317 -183605.5149 -149138.3065 299.3445 7.2567 40.0728 556182.7814 2.4447 2.5985 PRESSURE: 1992800 -122.709 -98.9847 -44.1177 -98.984 78.9332 53.1962 -44.1181 53.1959 -238.168 GPRESSURE: 1992800 -142.693 -109.26 -119.255 -97.5557 173.447 95.6344 62.2383 99.5174 -211.216 PRESSAVG: 1992800 -5.98266 -50.8855 -1.3181 -50.8856 -15.6403 -1.02233 -1.3181 -1.02234 33.4634 GPRESSAVG: 1992800 -5.10276 -50.1797 -1.1623 -51.9962 -17.2647 1.02528 -0.601342 -1.48557 34.6649 TIMING: 1992800 CPU: 5930.09, 0.0029706/step Wall: 5930.09, 0.0029706/step, 2.48144 hours remaining, 206.144531 MB of memory in use. ENERGY: 1992800 756.5934 2107.4506 1949.0827 103.6017 -205992.6493 17599.6766 0.0000 0.0000 34132.2864 -149343.9580 298.0857 -183476.2444 -149252.5231 299.3942 -93.9814 -60.1538 558032.2171 3.9468 4.0991 PRESSURE: 1993000 35.8416 80.3059 -3.06963 80.3069 116.478 59.7598 -3.06959 59.7603 -155.927 GPRESSURE: 1993000 87.2733 143.501 25.3763 51.0415 129.598 64.0617 49.203 10.3129 -130.301 PRESSAVG: 1993000 -45.3829 17.4513 -24.1056 17.4512 73.5651 26.5937 -24.1056 26.5936 -32.2655 GPRESSAVG: 1993000 -44.9445 15.3808 -24.9507 18.5446 74.1514 25.4906 -25.7582 27.0428 -33.4294 TIMING: 1993000 CPU: 5930.69, 0.00297442/step Wall: 5930.69, 0.00297442/step, 2.48447 hours remaining, 206.144531 MB of memory in use. ENERGY: 1993000 754.7511 2112.1146 1954.2812 111.1188 -206104.4759 17860.7431 0.0000 0.0000 34147.4154 -149164.0517 298.2179 -183311.4671 -149072.8699 299.2201 -1.2024 28.8568 557561.2418 -1.3611 -1.4075 PRESSURE: 1993200 49.066 97.7162 -64.1617 97.7158 184.896 106.234 -64.1624 106.236 344.436 GPRESSURE: 1993200 114.398 71.6646 -138.823 122.828 215.644 133.858 43.3608 36.3846 331.607 PRESSAVG: 1993200 -83.8291 52.8415 -10.3715 52.8415 60.5595 7.55463 -10.3715 7.55455 17.7641 GPRESSAVG: 1993200 -84.4145 53.207 -10.2139 55.1245 60.5881 4.54231 -7.37523 7.05883 17.8145 TIMING: 1993200 CPU: 5931.28, 0.00297472/step Wall: 5931.28, 0.00297472/step, 2.48455 hours remaining, 206.144531 MB of memory in use. ENERGY: 1993200 762.1469 2146.5703 1902.1556 119.2804 -206558.8009 18070.9360 0.0000 0.0000 34337.0562 -149220.6555 299.8741 -183557.7118 -149118.3844 299.8248 192.7993 220.5498 556411.6152 -1.8351 -2.0040 PRESSURE: 1993400 -108.328 -63.9501 -128.564 -63.9508 -18.0207 114.243 -128.564 114.244 -133.249 GPRESSURE: 1993400 -56.2562 -77.4061 -144.784 -29.1316 12.7418 75.3721 -188.057 160.483 -128.047 PRESSAVG: 1993400 20.7427 67.817 -64.6695 67.817 0.843663 17.9055 -64.6697 17.9056 0.424911 GPRESSAVG: 1993400 22.3764 68.2484 -63.2429 65.1316 -0.433887 20.1096 -67.6241 18.6271 -0.506549 TIMING: 1993400 CPU: 5931.88, 0.00298787/step Wall: 5931.88, 0.00298787/step, 2.49537 hours remaining, 206.144531 MB of memory in use. ENERGY: 1993400 741.3605 2118.0454 1928.9995 101.6808 -206155.2610 17702.0868 0.0000 0.0000 34395.8672 -149167.2208 300.3877 -183563.0880 -149066.8167 300.1501 -86.5326 -57.1871 556919.9326 7.3371 7.1453 PRESSURE: 1993600 -19.1597 76.3956 104.233 76.3943 -201.767 -86.8121 104.233 -86.8128 -162.703 GPRESSURE: 1993600 -0.00777389 10.9831 91.5549 126.661 -143.38 64.5268 117.951 -158.034 -153.638 PRESSAVG: 1993600 62.6312 56.9236 26.7532 56.9237 6.27283 6.06675 26.7533 6.06679 -72.0314 GPRESSAVG: 1993600 60.644 57.0126 25.2959 57.5448 7.71076 6.37645 26.6677 3.89362 -71.2958 TIMING: 1993600 CPU: 5932.48, 0.00296845/step Wall: 5932.48, 0.00296845/step, 2.47899 hours remaining, 206.144531 MB of memory in use. ENERGY: 1993600 761.4535 2066.8583 1952.6232 112.0838 -205623.5563 17406.0952 0.0000 0.0000 34351.6869 -148972.7554 300.0018 -183324.4423 -148875.7784 300.4351 -127.8767 -99.0084 557864.1482 -1.0425 -0.9804 PRESSURE: 1993800 -81.2511 -12.4628 -81.3891 -12.4624 -92.6508 -20.6262 -81.3895 -20.6274 -221.021 GPRESSURE: 1993800 -47.2033 -37.6117 -147.31 -24.4124 -62.4245 -90.7716 -50.3363 32.5419 -185.628 PRESSAVG: 1993800 5.54638 65.1432 -24.5355 65.1433 -68.1312 -71.5031 -24.5354 -71.503 41.3331 GPRESSAVG: 1993800 5.67197 65.7515 -24.6617 64.2946 -68.0415 -72.2935 -22.5804 -67.9135 41.4427 TIMING: 1993800 CPU: 5933.07, 0.0029925/step Wall: 5933.07, 0.0029925/step, 2.4989 hours remaining, 206.199219 MB of memory in use. ENERGY: 1993800 794.0582 2059.5792 1944.8003 113.3769 -205768.9077 17611.3226 0.0000 0.0000 34159.6777 -149086.0929 298.3250 -183245.7706 -148990.8098 299.8985 -131.6409 -98.4185 558080.3650 -7.0839 -6.9756 PRESSURE: 1994000 -224.97 -38.4616 -37.3111 -38.461 -186.131 -122.648 -37.3114 -122.647 -433.67 GPRESSURE: 1994000 -182.999 11.9623 25.5485 -65.4169 -170.629 -143.214 -70.6799 -70.9455 -387.845 PRESSAVG: 1994000 32.0662 15.3829 -19.7422 15.3827 -14.7677 -6.20095 -19.742 -6.20099 -49.1087 GPRESSAVG: 1994000 32.3419 15.773 -16.7805 16.4767 -15.5209 -3.76708 -22.4126 -8.28809 -48.9951 TIMING: 1994000 CPU: 5933.67, 0.00299598/step Wall: 5933.67, 0.00299598/step, 2.50165 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: 1994000 778.1113 2044.7189 1943.4131 115.4240 -205874.5792 17455.2777 0.0000 0.0000 34210.6157 -149327.0185 298.7698 -183537.6342 -149224.0349 298.9333 -281.5904 -247.1575 558676.2914 -10.6034 -10.7247 PRESSURE: 1994200 121.68 20.5046 -93.8606 20.5032 -95.1021 -55.2631 -93.8605 -55.2646 -134.905 GPRESSURE: 1994200 179.871 -18.4475 -248.478 14.7545 -108.416 -49.7438 -2.56068 9.25341 -88.8492 PRESSAVG: 1994200 33.9758 -33.8778 -22.7747 -33.8778 -95.8137 -14.7368 -22.7747 -14.7367 31.8446 GPRESSAVG: 1994200 35.5691 -33.6885 -24.4163 -33.8814 -97.4564 -14.6737 -21.5066 -13.9491 31.6902 TIMING: 1994200 CPU: 5934.27, 0.00298568/step Wall: 5934.27, 0.00298568/step, 2.49287 hours remaining, 206.199219 MB of memory in use. ENERGY: 1994200 769.9901 2091.7401 1922.8089 109.1500 -206518.2976 17981.7442 0.0000 0.0000 34133.6834 -149509.1809 298.0979 -183642.8643 -149413.9511 298.5970 -36.1088 -5.7981 556937.6381 -9.9978 -10.0657 PRESSURE: 1994400 -90.8584 75.8321 -134.328 75.8325 -131.968 -36.6603 -134.328 -36.6605 -107.523 GPRESSURE: 1994400 -80.8127 59.4063 -51.014 128.171 -99.9101 -83.0117 -150.232 -34.887 -41.0079 PRESSAVG: 1994400 17.3435 -21.3944 -36.5507 -21.3945 -30.5228 -3.51718 -36.5506 -3.51717 19.3506 GPRESSAVG: 1994400 15.7868 -23.3735 -36.5832 -21.1129 -28.0573 -5.10865 -37.8839 -4.47689 18.681 TIMING: 1994400 CPU: 5934.87, 0.00300333/step Wall: 5934.87, 0.00300333/step, 2.50745 hours remaining, 206.199219 MB of memory in use. ENERGY: 1994400 767.0375 2139.0181 1927.3886 113.6054 -206311.8015 17715.6489 0.0000 0.0000 34155.6807 -149493.4223 298.2901 -183649.1029 -149392.9905 298.1422 -110.1164 -73.9102 557076.9045 2.0571 2.1368 PRESSURE: 1994600 21.5523 48.9591 32.8349 48.9582 -225.181 16.1702 32.8351 16.1702 -132.067 GPRESSURE: 1994600 36.5223 -39.3757 150.068 132.763 -178.551 25.0955 -46.4325 16.0873 -112.985 PRESSAVG: 1994600 15.8974 33.2995 19.1087 33.2995 -74.8444 -1.82313 19.1087 -1.82313 30.6242 GPRESSAVG: 1994600 16.5751 35.2504 19.2336 33.1163 -75.5277 -1.25406 18.6321 0.135221 30.2566 TIMING: 1994600 CPU: 5935.47, 0.00300294/step Wall: 5935.47, 0.00300294/step, 2.50695 hours remaining, 206.199219 MB of memory in use. ENERGY: 1994600 803.1393 2010.5145 1936.8353 119.6054 -205846.8692 17561.3215 0.0000 0.0000 34012.9801 -149402.4731 297.0438 -183415.4532 -149308.4605 298.0287 -111.8987 -85.0043 557160.0118 -9.4409 -9.5653 PRESSURE: 1994800 -103.099 51.1368 50.5247 51.1364 -147.424 -137.462 50.524 -137.463 60.5013 GPRESSURE: 1994800 -66.4835 39.3163 2.73671 -35.4546 -56.585 -62.0723 81.7694 -220.313 30.2323 PRESSAVG: 1994800 94.9437 -1.46201 -1.98078 -1.46193 -45.2402 15.7548 -1.98076 15.7547 -27.7639 GPRESSAVG: 1994800 94.1275 -0.656419 -2.61196 -2.3556 -45.8377 14.5916 -1.21289 15.576 -26.5486 TIMING: 1994800 CPU: 5936.07, 0.00299115/step Wall: 5936.07, 0.00299115/step, 2.49695 hours remaining, 206.199219 MB of memory in use. ENERGY: 1994800 762.8115 2125.1173 1915.6946 107.6173 -206420.9204 17785.8299 0.0000 0.0000 34213.5259 -149510.3239 298.7952 -183723.8498 -149405.5275 297.9134 -63.3406 -30.9454 557085.9483 7.3132 7.2471 PRESSURE: 1995000 86.2339 -52.4138 -81.4193 -52.4135 -32.8816 -4.32611 -81.4197 -4.32476 -92.8025 GPRESSURE: 1995000 141.65 -106.669 18.5531 -13.9843 28.4205 -43.1954 -142.586 40.5459 -121.68 PRESSAVG: 1995000 6.05632 13.8044 -12.9289 13.8043 -92.6064 -13.584 -12.9289 -13.5839 66.8305 GPRESSAVG: 1995000 7.85399 12.288 -14.5233 14.5724 -92.5271 -13.4085 -12.858 -13.8149 64.7806 TIMING: 1995000 CPU: 5936.67, 0.00302259/step Wall: 5936.67, 0.00302259/step, 2.52302 hours remaining, 206.199219 MB of memory in use. ENERGY: 1995000 735.7858 2095.9558 1936.1686 117.9545 -206262.1139 17736.7253 0.0000 0.0000 34418.1246 -149221.3993 300.5820 -183639.5239 -149125.2551 298.4457 -13.1501 16.1303 557614.1435 -6.5732 -6.6308 PRESSURE: 1995200 -112.734 -74.5451 -65.1526 -74.5444 51.4195 204.022 -65.1514 204.022 -203.956 GPRESSURE: 1995200 -55.7478 -34.0769 -81.9019 -96.9239 80.4212 149.722 -71.092 198.13 -196.326 PRESSAVG: 1995200 24.1495 -16.1012 -68.9321 -16.1011 21.0758 -25.3759 -68.9321 -25.3759 -41.5815 GPRESSAVG: 1995200 24.3879 -16.9522 -66.694 -15.1171 21.1603 -25.0807 -68.7015 -27.8919 -42.2479 TIMING: 1995200 CPU: 5937.27, 0.00296933/step Wall: 5937.27, 0.00296933/step, 2.4784 hours remaining, 206.199219 MB of memory in use. ENERGY: 1995200 750.3813 2083.9066 1934.5588 126.6211 -205931.2476 17578.1924 0.0000 0.0000 34261.3504 -149196.2370 299.2129 -183457.5874 -149103.1009 299.5208 -88.4235 -57.2176 556224.1916 1.2146 1.1001 PRESSURE: 1995400 -107.048 -19.4608 1.81226 -19.4604 30.4208 -2.4596 1.81148 -2.46022 195.589 GPRESSURE: 1995400 -71.7393 24.8298 -59.5207 -76.4119 27.7156 -29.3161 0.507204 54.9447 263.422 PRESSAVG: 1995400 11.7433 -14.8696 -45.4836 -14.8697 21.1653 -20.1883 -45.4836 -20.1884 -8.92212 GPRESSAVG: 1995400 9.47591 -14.433 -46.8894 -18.0695 21.2086 -21.7167 -44.5344 -17.6212 -6.94396 TIMING: 1995400 CPU: 5937.86, 0.00296617/step Wall: 5937.86, 0.00296617/step, 2.47559 hours remaining, 206.199219 MB of memory in use. ENERGY: 1995400 759.5914 2108.9622 1925.4516 130.9992 -206131.0797 17768.4068 0.0000 0.0000 34162.5418 -149275.1268 298.3500 -183437.6686 -149180.4035 299.4948 39.6540 73.1329 555687.2006 7.9955 7.9135 PRESSURE: 1995600 242.522 9.6559 -24.7789 9.65579 83.2174 -16.052 -24.7792 -16.0528 -34.3249 GPRESSURE: 1995600 257.616 16.0859 -43.0703 102.739 107.115 -16.1286 -36.5171 11.301 20.5265 PRESSAVG: 1995600 -24.2024 39.8155 14.4387 39.8155 -32.6131 21.7367 14.4386 21.7367 24.2732 GPRESSAVG: 1995600 -22.5931 40.2412 13.9196 43.0988 -33.2502 24.1961 14.2729 20.6422 23.7441 TIMING: 1995600 CPU: 5938.45, 0.00296595/step Wall: 5938.45, 0.00296595/step, 2.47525 hours remaining, 206.199219 MB of memory in use. ENERGY: 1995600 734.1325 2044.0733 1940.1991 112.4584 -206360.0066 17934.6784 0.0000 0.0000 34348.4905 -149245.9744 299.9739 -183594.4649 -149141.4986 299.2276 97.1382 128.4192 556414.9006 -10.8474 -10.6998 PRESSURE: 1995800 -103.625 10.9759 -65.5755 10.9748 153.343 18.1031 -65.575 18.1042 -101.128 GPRESSURE: 1995800 -29.2474 -31.1778 -6.16013 21.5282 166.933 -25.8658 -104.059 -25.1219 -85.7481 PRESSAVG: 1995800 26.3577 -14.3021 -15.2365 -14.3022 39.3487 -21.1067 -15.2365 -21.1067 3.76019 GPRESSAVG: 1995800 25.0199 -13.5312 -12.8285 -14.6229 40.3362 -21.7927 -17.3454 -20.7007 4.17077 TIMING: 1995800 CPU: 5939.04, 0.00294805/step Wall: 5939.04, 0.00294805/step, 2.46015 hours remaining, 206.199219 MB of memory in use. ENERGY: 1995800 750.4603 2065.6138 1912.9189 122.3031 -206137.6708 17918.8418 0.0000 0.0000 34277.2067 -149090.3263 299.3514 -183367.5330 -149002.8483 299.6406 -17.1364 17.3125 558074.0448 23.1555 23.1756 PRESSURE: 1996000 114.915 -130.906 -57.3035 -130.905 -206.134 -46.4767 -57.3033 -46.4768 -249.043 GPRESSURE: 1996000 102.105 -202.439 -158.603 -134.408 -110.844 -43.734 -17.5857 -15.031 -219.021 PRESSAVG: 1996000 14.7191 48.3413 28.4107 48.3412 41.0196 16.3418 28.4106 16.3417 -36.3866 GPRESSAVG: 1996000 15.5416 49.6026 25.8879 46.94 40.093 16.0852 30.787 15.5969 -36.3342 TIMING: 1996000 CPU: 5939.63, 0.00294156/step Wall: 5939.63, 0.00294156/step, 2.45457 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: 1996000 755.6867 2064.3523 1953.2688 121.5509 -205812.0578 17672.2259 0.0000 0.0000 34257.7352 -148987.2380 299.1813 -183244.9732 -148888.5788 300.3724 -113.4206 -75.9202 559425.8483 6.4507 6.4335 PRESSURE: 1996200 42.0297 -30.6102 31.886 -30.6098 -74.6275 -25.1975 31.8858 -25.1982 47.6408 GPRESSURE: 1996200 47.0718 4.30208 -35.1171 -51.9661 -94.2147 36.2431 50.4206 -45.2898 155.882 PRESSAVG: 1996200 -28.9455 11.0821 21.7296 11.0821 -5.94283 -16.6259 21.7296 -16.626 33.4093 GPRESSAVG: 1996200 -28.8627 10.3538 21.227 11.5249 -5.87643 -17.5363 20.6912 -16.0841 33.2954 TIMING: 1996200 CPU: 5940.22, 0.00293368/step Wall: 5940.22, 0.00293368/step, 2.44783 hours remaining, 206.199219 MB of memory in use. ENERGY: 1996200 760.3388 2079.0519 1938.2014 102.4233 -206377.6807 17997.4438 0.0000 0.0000 34454.7335 -149045.4881 300.9018 -183500.2216 -148938.2640 299.5882 5.0143 36.2465 556793.8567 -0.4930 -0.4812 LDB: ============= START OF LOAD BALANCING ============== 5943.65 LDB: ============== END OF LOAD BALANCING =============== 5943.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5943.65 LDB: ============= START OF LOAD BALANCING ============== 5943.95 LDB: Largest compute 4821 load 0.027100 is 23.0% of average load 0.118005 LDB: Average compute 0.001727 is 1.5% of average load 0.118005 LDB: TIME 5943.95 LOAD: AVG 0.118005 MAX 0.198107 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.387 MB LDB: TIME 5943.95 LOAD: AVG 0.118005 MAX 0.198107 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.395 MB LDB: TIME 5943.95 LOAD: AVG 0.118005 MAX 0.198107 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.395 MB LDB: ============== END OF LOAD BALANCING =============== 5943.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5943.96 PRESSURE: 1996400 -66.3038 107.153 7.08876 107.152 104.483 124.326 7.09063 124.325 56.4587 GPRESSURE: 1996400 -97.5054 146.111 82.9795 83.8516 149.798 92.3245 -68.2058 164.947 138.271 PRESSAVG: 1996400 -36.9884 -10.4451 25.0521 -10.4451 -42.2358 -36.5739 25.0521 -36.5738 103.214 GPRESSAVG: 1996400 -37.5238 -10.4268 27.4376 -9.52793 -41.5956 -35.5251 24.5027 -36.6754 102.685 TIMING: 1996400 CPU: 5940.83, 0.00304227/step Wall: 5940.83, 0.00304227/step, 2.53827 hours remaining, 205.359375 MB of memory in use. ENERGY: 1996400 702.0237 2109.5703 1922.7219 112.5329 -205938.6328 17703.9350 0.0000 0.0000 34264.3150 -149123.5340 299.2388 -183387.8491 -149032.4069 299.3877 31.5460 63.5211 557241.9611 7.9967 7.8551 PRESSURE: 1996600 -306.174 80.7799 -76.5389 80.7797 8.45952 -106.12 -76.5393 -106.119 -223.552 GPRESSURE: 1996600 -242.999 18.4554 -106.413 26.8292 -4.01966 -96.4314 -42.5666 -137.55 -182.688 PRESSAVG: 1996600 7.93671 -20.3152 4.72754 -20.3152 -11.525 -61.6559 4.72751 -61.6558 -2.99111 GPRESSAVG: 1996600 8.43689 -20.2398 3.73497 -20.7255 -11.355 -63.1103 6.85563 -62.4962 -3.45316 TIMING: 1996600 CPU: 5941.42, 0.00297737/step Wall: 5941.42, 0.00297737/step, 2.48395 hours remaining, 205.359375 MB of memory in use. ENERGY: 1996600 768.4876 2049.3642 1911.6323 110.9393 -205671.4894 17505.3662 0.0000 0.0000 34373.5495 -148952.1503 300.1928 -183325.6998 -148854.6734 299.6120 -173.7555 -143.2355 558854.8525 -2.1931 -2.1238 PRESSURE: 1996800 -71.0627 -138.577 -41.8181 -138.576 40.9795 -1.85964 -41.8172 -1.86011 67.5006 GPRESSURE: 1996800 16.1021 -125.735 2.78206 -131.78 56.8507 -10.4337 -124.308 -46.8612 61.905 PRESSAVG: 1996800 -48.2493 1.66809 -16.2839 1.66814 33.0365 -12.5355 -16.2839 -12.5353 -8.96586 GPRESSAVG: 1996800 -48.4668 0.557861 -16.1202 2.94464 33.095 -9.06894 -18.6113 -13.8877 -9.03057 TIMING: 1996800 CPU: 5942.02, 0.00299855/step Wall: 5942.02, 0.00299855/step, 2.50146 hours remaining, 205.359375 MB of memory in use. ENERGY: 1996800 739.0897 2106.3544 1930.5901 114.6264 -205896.9296 17883.1967 0.0000 0.0000 34153.3519 -148969.7204 298.2697 -183123.0723 -148873.7768 299.6755 12.4725 44.9526 559801.3213 -8.0595 -8.1341 PRESSURE: 1997000 -64.4654 -51.1911 -154.284 -51.1906 -106.037 -71.2187 -154.284 -71.2195 -189.683 GPRESSURE: 1997000 -47.3026 -85.5079 -60.5728 -117.042 -88.5405 -12.7709 -150.604 -59.1008 -122.712 PRESSAVG: 1997000 -58.1182 -26.9902 -11.7542 -26.9903 42.4908 -31.9689 -11.7542 -31.9689 2.90284 GPRESSAVG: 1997000 -58.4553 -25.055 -11.9198 -29.9415 42.604 -32.4859 -9.65253 -31.3044 3.88696 TIMING: 1997000 CPU: 5942.62, 0.0029898/step Wall: 5942.62, 0.0029898/step, 2.49399 hours remaining, 205.359375 MB of memory in use. ENERGY: 1997000 750.0743 2041.8462 1916.8820 112.7345 -205862.1054 17692.0122 0.0000 0.0000 34410.1387 -148938.4175 300.5123 -183348.5562 -148844.3484 299.3247 -120.0618 -86.1849 558759.3941 -4.2415 -3.9881 PRESSURE: 1997200 -307.078 12.2851 -92.5748 12.2844 -38.9561 -97.5928 -92.5744 -97.5923 199.567 GPRESSURE: 1997200 -294.319 48.0971 -141.838 45.9137 1.32907 -91.1676 -68.1017 -159.356 244.301 PRESSAVG: 1997200 -77.1719 -2.48415 14.1404 -2.48413 -8.73931 32.6263 14.1405 32.6264 72.4135 GPRESSAVG: 1997200 -76.1549 -3.88409 14.1657 -0.132138 -9.77402 29.6806 12.4429 32.8473 72.4946 TIMING: 1997200 CPU: 5943.22, 0.0029797/step Wall: 5943.22, 0.0029797/step, 2.4854 hours remaining, 205.359375 MB of memory in use. ENERGY: 1997200 768.9341 2051.4178 1934.7413 104.1593 -205769.3548 17624.9906 0.0000 0.0000 34223.2937 -149061.8178 298.8805 -183285.1116 -148963.6718 299.3049 -48.8226 -16.2295 557422.9812 -4.4992 -4.4781 PRESSURE: 1997400 -77.8686 108.322 125.236 108.322 -60.2505 84.3391 125.236 84.3384 -574.194 GPRESSURE: 1997400 -51.0353 118.933 141.355 65.2794 3.99394 139.132 150.812 103.011 -558.624 PRESSAVG: 1997400 -50.3031 46.3948 -9.20887 46.3949 11.079 34.2704 -9.20895 34.2704 27.1733 GPRESSAVG: 1997400 -50.6502 45.7021 -8.96331 46.7369 11.4445 35.0275 -10.2268 34.8497 27.0848 TIMING: 1997400 CPU: 5943.81, 0.00299172/step Wall: 5943.81, 0.00299172/step, 2.49526 hours remaining, 205.359375 MB of memory in use. ENERGY: 1997400 768.6479 2072.5406 1930.2314 108.5194 -205385.6824 17204.0443 0.0000 0.0000 34240.7109 -149060.9879 299.0326 -183301.6988 -148966.8945 299.5525 -237.4376 -201.8884 556528.4294 -4.0169 -4.0403 PRESSURE: 1997600 -141.004 35.5698 -16.9657 35.5712 -365.832 79.36 -16.9654 79.3593 141.225 GPRESSURE: 1997600 -181.223 53.7549 34.3001 -19.2645 -305.26 41.2003 9.86948 65.2221 229.373 PRESSAVG: 1997600 2.81747 -4.43973 -10.4029 -4.43966 51.7998 70.3945 -10.4028 70.3944 -7.67571 GPRESSAVG: 1997600 2.86167 -5.44196 -10.5183 -5.19074 52.4014 71.8591 -8.88337 67.9726 -8.60117 TIMING: 1997600 CPU: 5944.42, 0.00300488/step Wall: 5944.42, 0.00300488/step, 2.50607 hours remaining, 205.359375 MB of memory in use. ENERGY: 1997600 741.2521 2100.9468 1945.3385 114.3318 -205947.5797 17469.3312 0.0000 0.0000 34379.3229 -149197.0564 300.2432 -183576.3793 -149111.9599 299.8666 -121.8704 -85.7033 556190.6636 15.6472 15.5540 PRESSURE: 1997800 -144.228 -60.8151 -103.772 -60.8142 -99.1675 121.466 -103.772 121.464 -614.37 GPRESSURE: 1997800 -136.781 -77.6337 -168.651 20.1801 -70.8035 138.311 -50.2683 29.84 -543.195 PRESSAVG: 1997800 -10.7904 74.0006 -22.9036 74.0007 42.9927 -12.9285 -22.9035 -12.9285 32.5588 GPRESSAVG: 1997800 -10.527 73.8076 -22.8907 75.7243 42.5104 -12.9324 -23.4257 -11.3107 32.7897 TIMING: 1997800 CPU: 5945.01, 0.00298942/step Wall: 5945.01, 0.00298942/step, 2.49301 hours remaining, 205.359375 MB of memory in use. ENERGY: 1997800 731.0502 2105.1758 1931.2634 107.3555 -205625.8353 17262.1392 0.0000 0.0000 34184.5445 -149304.3067 298.5421 -183488.8512 -149210.6268 299.2778 -285.9218 -250.2599 557142.0234 21.5870 21.5910 PRESSURE: 1998000 -110.758 -88.4283 -52.8489 -88.4295 -344.811 -9.29677 -52.8497 -9.29635 38.525 GPRESSURE: 1998000 -118.062 4.98689 -25.0062 -133.994 -291.391 -57.7853 -21.8044 112.183 79.6608 PRESSAVG: 1998000 3.63963 7.39888 -24.816 7.39898 49.056 72.3886 -24.8159 72.3886 -58.8945 GPRESSAVG: 1998000 2.90072 8.97724 -23.9003 5.63952 49.1733 72.0327 -23.7574 74.1723 -58.0971 TIMING: 1998000 CPU: 5945.61, 0.00296813/step Wall: 5945.61, 0.00296813/step, 2.47509 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: 1998000 746.2367 2049.4534 1949.6846 117.4808 -206239.6166 17794.5152 0.0000 0.0000 34264.1534 -149318.0925 299.2374 -183582.2459 -149224.3723 299.0474 -139.0147 -109.9307 558562.1900 -2.0663 -2.0077 PRESSURE: 1998200 220.073 -44.2618 -111.914 -44.2612 273.363 -126.869 -111.914 -126.869 69.5253 GPRESSURE: 1998200 219.661 5.53935 -148.969 -75.7797 304.261 -91.9329 -102.787 -128.463 137.681 PRESSAVG: 1998200 -14.5384 6.43681 -14.6863 6.43684 -11.9825 6.22839 -14.6862 6.22834 51.5459 GPRESSAVG: 1998200 -13.8954 6.49541 -12.0709 5.6849 -13.3786 5.36934 -17.0827 4.59705 52.081 TIMING: 1998200 CPU: 5946.2, 0.00298765/step Wall: 5946.2, 0.00298765/step, 2.49121 hours remaining, 205.359375 MB of memory in use. ENERGY: 1998200 735.9001 2089.2736 1923.6729 130.8621 -206311.3790 17947.6594 0.0000 0.0000 34152.3630 -149331.6480 298.2611 -183484.0109 -149225.7985 298.8541 187.6535 220.5341 557053.2433 8.3417 8.2690 PRESSURE: 1998400 -258.047 -25.1165 95.2424 -25.116 -283.929 -175.103 95.2422 -175.104 -271.865 GPRESSURE: 1998400 -235.17 -75.2022 14.1895 -74.6464 -255.574 -129.924 61.8631 -187.962 -225.92 PRESSAVG: 1998400 -26.9407 7.88613 8.66095 7.8862 20.1766 -54.4798 8.66093 -54.4798 -6.33392 GPRESSAVG: 1998400 -27.1317 7.42496 5.58169 9.67799 22.1588 -52.7627 10.831 -55.0605 -8.04245 TIMING: 1998400 CPU: 5946.8, 0.00298419/step Wall: 5946.8, 0.00298419/step, 2.48815 hours remaining, 205.359375 MB of memory in use. ENERGY: 1998400 757.7905 2103.0065 1929.0827 106.3908 -205793.0398 17457.0626 0.0000 0.0000 33980.7054 -149459.0012 296.7620 -183439.7066 -149359.8840 298.2952 -271.2803 -238.8879 559078.9575 -4.3660 -4.3384 PRESSURE: 1998600 89.8609 85.9088 12.3669 85.9075 48.7711 -27.6884 12.3686 -27.6882 170.813 GPRESSURE: 1998600 76.4901 25.6876 71.9418 67.6345 81.569 52.2655 19.4061 -64.1257 229.271 PRESSAVG: 1998600 -34.5964 16.9682 -5.62874 16.9682 22.7346 -6.08778 -5.62871 -6.08776 43.4538 GPRESSAVG: 1998600 -35.0371 17.7368 -6.17596 16.9576 23.282 -8.6398 -4.12555 -4.48962 43.2096 TIMING: 1998600 CPU: 5947.4, 0.00298585/step Wall: 5947.4, 0.00298585/step, 2.48937 hours remaining, 205.359375 MB of memory in use. ENERGY: 1998600 764.7211 2115.2513 1939.5832 111.8912 -206787.1281 18191.2523 0.0000 0.0000 34296.8959 -149367.5331 299.5233 -183664.4290 -149280.1398 298.2420 103.1484 129.1101 556173.4187 10.5307 10.4848 PRESSURE: 1998800 65.2374 27.1703 7.44828 27.1701 35.602 68.4806 7.448 68.4813 -239.32 GPRESSURE: 1998800 93.2809 20.3043 -0.578816 -26.3093 69.7682 182.459 -39.6053 21.9904 -202.298 PRESSAVG: 1998800 -28.3158 23.376 -15.9357 23.376 65.0236 6.54331 -15.9357 6.54336 -64.4494 GPRESSAVG: 1998800 -28.3197 23.0197 -13.4684 21.7742 64.0605 8.03561 -19.0409 4.18671 -63.5673 TIMING: 1998800 CPU: 5947.99, 0.00298013/step Wall: 5947.99, 0.00298013/step, 2.48443 hours remaining, 205.359375 MB of memory in use. ENERGY: 1998800 775.4347 2137.6416 1905.3842 114.3717 -206278.1377 17774.0796 0.0000 0.0000 34256.6838 -149314.5421 299.1721 -183571.2259 -149225.9489 298.3096 -46.1603 -13.0830 556985.6187 -9.2472 -9.2755 PRESSURE: 1999000 120.67 -87.0723 -31.3972 -87.0726 299.016 -80.5029 -31.3981 -80.5032 -6.04925 GPRESSURE: 1999000 147.463 -106.537 26.0526 -86.3532 322.615 -101.053 -47.0732 -100.064 34.9282 PRESSAVG: 1999000 10.9083 -12.4933 10.9041 -12.4933 8.13195 -23.2121 10.9041 -23.2121 -29.4518 GPRESSAVG: 1999000 10.2584 -13.1616 9.03289 -12.0132 8.53883 -26.2032 11.9868 -20.3706 -29.3307 TIMING: 1999000 CPU: 5948.59, 0.00296489/step Wall: 5948.59, 0.00296489/step, 2.47156 hours remaining, 205.359375 MB of memory in use. ENERGY: 1999000 712.4828 2138.2980 1911.9259 101.1431 -206438.1423 18024.5081 0.0000 0.0000 34278.5867 -149271.1978 299.3634 -183549.7844 -149172.7700 298.7045 137.8789 168.3355 557493.8872 -3.4705 -3.5111 PRESSURE: 1999200 22.5693 -48.1247 1.27609 -48.1251 -183.329 47.2275 1.2764 47.2261 -98.8667 GPRESSURE: 1999200 1.76948 -101.756 51.8559 61.0313 -119.461 80.9867 -64.5193 59.5994 -47.3748 PRESSAVG: 1999200 -39.5889 -50.5765 18.5437 -50.5764 9.11823 3.54145 18.5438 3.54145 39.1335 GPRESSAVG: 1999200 -39.0916 -48.3621 18.3907 -50.3558 9.97995 3.6297 19.143 3.69895 37.6493 TIMING: 1999200 CPU: 5949.18, 0.00298163/step Wall: 5949.18, 0.00298163/step, 2.48535 hours remaining, 205.359375 MB of memory in use. ENERGY: 1999200 772.2151 2143.4603 1946.4092 117.8678 -206337.0729 17816.1412 0.0000 0.0000 34250.9104 -149290.0689 299.1217 -183540.9794 -149194.9602 298.6478 -86.5420 -55.0220 558845.1789 2.8876 2.8459 PRESSURE: 1999400 145.204 -105.973 -26.3159 -105.975 -109.086 7.59975 -26.3152 7.59839 -350.389 GPRESSURE: 1999400 124.966 -149.739 -105.923 -76.2078 -64.0464 66.6925 48.1776 -46.3637 -271.224 PRESSAVG: 1999400 -1.98562 -3.0235 11.9835 -3.0235 36.1762 -29.1507 11.9836 -29.1508 -25.3861 GPRESSAVG: 1999400 -1.59856 -2.77303 12.6059 -4.54702 35.4799 -27.3813 10.224 -29.9224 -24.4194 TIMING: 1999400 CPU: 5949.78, 0.00298737/step Wall: 5949.78, 0.00298737/step, 2.48997 hours remaining, 205.359375 MB of memory in use. ENERGY: 1999400 783.2055 2111.9662 1928.5844 119.9179 -206518.9801 17828.0315 0.0000 0.0000 34301.7146 -149445.5600 299.5654 -183747.2746 -149352.4933 299.1878 -104.7567 -70.1013 556179.1502 2.9348 3.1540 PRESSURE: 1999600 -213.665 22.8197 89.5942 22.8214 175.272 8.93253 89.5965 8.9326 37.9075 GPRESSURE: 1999600 -110.555 36.1586 163.051 85.4599 179.403 6.18529 65.6808 28.3688 33.4633 PRESSAVG: 1999600 -49.5274 -9.12027 -21.9814 -9.1203 20.896 -29.5519 -21.9814 -29.5519 -30.3748 GPRESSAVG: 1999600 -50.0085 -10.1138 -22.2593 -5.46037 20.616 -26.6635 -21.0661 -31.1717 -29.4707 TIMING: 1999600 CPU: 5950.37, 0.00295749/step Wall: 5950.37, 0.00295749/step, 2.4649 hours remaining, 205.359375 MB of memory in use. ENERGY: 1999600 781.4918 2077.1903 1908.1329 116.6440 -206663.2254 17997.9815 0.0000 0.0000 34464.6730 -149317.1118 300.9886 -183781.7848 -149219.5713 299.5203 -0.1620 34.1036 557410.9831 -19.6687 -19.6211 PRESSURE: 1999800 -56.2477 121.837 43.0764 121.838 -86.9404 72.4226 43.0759 72.4209 -139.839 GPRESSURE: 1999800 13.1875 156.518 10.8496 124.054 -91.2565 44.0196 39.244 147.168 -103.937 PRESSAVG: 1999800 -24.7272 12.5125 -9.81288 12.5126 35.1365 28.5748 -9.81291 28.5748 -16.011 GPRESSAVG: 1999800 -23.8754 10.453 -9.9672 11.561 34.792 25.0877 -8.31579 29.7168 -16.1682 TIMING: 1999800 CPU: 5950.97, 0.00296318/step Wall: 5950.97, 0.00296318/step, 2.46948 hours remaining, 205.359375 MB of memory in use. ENERGY: 1999800 802.9542 2104.1451 1950.1609 123.7627 -206386.4327 17851.5086 0.0000 0.0000 34286.9313 -149266.9700 299.4363 -183553.9013 -149175.8379 299.5206 -94.3425 -60.6688 557948.2035 -1.8672 -1.7505 PRESSURE: 2000000 -195.195 -116.064 -144.142 -116.065 12.463 147.824 -144.143 147.825 33.0227 GPRESSURE: 2000000 -180.746 -106.599 -129.394 -151.865 48.0126 250.943 -128.842 119.681 75.0107 PRESSAVG: 2000000 -48.3308 44.5949 -40.9538 44.5949 64.4331 20.5579 -40.9538 20.5579 -13.8299 GPRESSAVG: 2000000 -48.1705 46.1536 -38.1007 43.3387 64.5598 20.22 -43.2621 22.638 -13.7426 TIMING: 2000000 CPU: 5951.56, 0.00299047/step Wall: 5951.56, 0.00299047/step, 2.49206 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: 2000000 767.1697 2055.6619 1941.5064 112.5915 -206232.1975 17812.4883 0.0000 0.0000 34285.1577 -149257.6220 299.4208 -183542.7797 -149155.8687 299.5027 -49.9031 -19.2409 557192.9853 0.7574 0.8822 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2000000 WRITING COORDINATES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2000200 -295.594 27.2654 -60.2485 27.2671 11.792 -71.1023 -60.2493 -71.1018 -99.5393 GPRESSURE: 2000200 -206.924 -29.6605 -74.8489 100.233 51.4869 -225.342 -26.8842 53.9526 -138.588 PRESSAVG: 2000200 -64.1938 32.2795 -21.1482 32.2794 57.6292 -17.3776 -21.1482 -17.3775 15.6162 GPRESSAVG: 2000200 -64.1355 30.174 -24.2743 33.2672 58.8229 -16.8868 -20.0232 -19.3688 14.7365 TIMING: 2000200 CPU: 5952.18, 0.00307472/step Wall: 5952.18, 0.00307472/step, 2.5621 hours remaining, 205.359375 MB of memory in use. ENERGY: 2000200 769.1932 2145.3200 1917.7109 99.9356 -206244.7061 17657.9938 0.0000 0.0000 34258.1573 -149396.3953 299.1850 -183654.5525 -149300.8613 298.7735 -127.7805 -98.0086 557015.9436 3.0172 3.1413 LDB: ============= START OF LOAD BALANCING ============== 5955.61 LDB: ============== END OF LOAD BALANCING =============== 5955.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5955.61 LDB: ============= START OF LOAD BALANCING ============== 5955.91 LDB: Largest compute 4821 load 0.026905 is 22.8% of average load 0.118022 LDB: Average compute 0.001727 is 1.5% of average load 0.118022 LDB: TIME 5955.91 LOAD: AVG 0.118022 MAX 0.202155 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.359 MB LDB: TIME 5955.91 LOAD: AVG 0.118022 MAX 0.202155 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: TIME 5955.91 LOAD: AVG 0.118022 MAX 0.202155 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5955.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5955.92 PRESSURE: 2000400 -98.3542 -265.325 103.806 -265.326 37.5176 20.4556 103.804 20.4542 133.846 GPRESSURE: 2000400 -20.5303 -240.531 25.2127 -171.32 48.3441 -47.7771 82.4256 122.349 140.142 PRESSAVG: 2000400 -49.9422 -17.7523 17.4227 -17.7523 36.2383 -11.0796 17.4227 -11.0797 -9.46311 GPRESSAVG: 2000400 -50.1702 -14.8237 16.5662 -18.5591 35.5226 -9.47845 18.0386 -10.4197 -8.52215 TIMING: 2000400 CPU: 5952.79, 0.00305736/step Wall: 5952.79, 0.00305736/step, 2.54746 hours remaining, 206.128906 MB of memory in use. ENERGY: 2000400 708.8260 2102.1756 1946.0596 103.0406 -206528.3511 17915.4117 0.0000 0.0000 34271.9404 -149480.8973 299.3054 -183752.8377 -149387.7406 298.1034 24.3363 55.9854 556540.8844 -7.7223 -7.7232 PRESSURE: 2000600 -300.318 34.0604 52.8923 34.061 -90.0145 -105.082 52.8913 -105.082 -272.488 GPRESSURE: 2000600 -219.045 123.211 19.6759 -17.4181 -74.8044 -12.0944 32.1013 -162.49 -253.734 PRESSAVG: 2000600 18.5432 -25.0126 77.5355 -25.0125 7.23378 17.1692 77.5356 17.1692 6.728 GPRESSAVG: 2000600 19.5513 -25.7728 79.0526 -25.3937 6.35749 16.2334 76.81 17.7837 6.28408 TIMING: 2000600 CPU: 5953.39, 0.00299733/step Wall: 5953.39, 0.00299733/step, 2.49727 hours remaining, 206.128906 MB of memory in use. ENERGY: 2000600 800.7648 2140.3889 1950.4754 115.7703 -206498.6095 17579.4620 0.0000 0.0000 34430.4850 -149481.2630 300.6900 -183911.7480 -149383.1266 299.1862 -220.9403 -182.5279 557539.5230 10.8350 10.7309 PRESSURE: 2000800 -199.02 116.334 -199.002 116.334 -77.2252 67.9229 -199.004 67.9243 -190.799 GPRESSURE: 2000800 -197.338 126.156 -279.868 154.965 -28.8123 16.2482 -227.185 45.7497 -142.921 PRESSAVG: 2000800 4.17918 13.1895 -9.34894 13.1894 42.8513 -27.2253 -9.34897 -27.2253 -80.3561 GPRESSAVG: 2000800 3.30634 13.2352 -9.16271 13.4739 43.029 -27.5499 -9.70989 -28.9029 -79.803 TIMING: 2000800 CPU: 5953.99, 0.00299157/step Wall: 5953.99, 0.00299157/step, 2.49231 hours remaining, 206.128906 MB of memory in use. ENERGY: 2000800 725.3544 2106.0596 1934.6618 122.1219 -206289.2645 17665.5807 0.0000 0.0000 34020.3099 -149715.1761 297.1078 -183735.4861 -149618.6809 298.1848 -155.6814 -123.0236 558292.8394 -11.1086 -11.1559 PRESSURE: 2001000 -69.8543 -45.7366 -76.0612 -45.7354 -68.1969 75.5495 -76.0616 75.5492 -6.73217 GPRESSURE: 2001000 -30.8582 -76.4153 -69.0979 -10.404 -51.343 98.1088 -119.723 42.3122 37.3456 PRESSAVG: 2001000 -15.436 19.2228 -33.6854 19.2228 28.9418 37.5673 -33.6853 37.5673 -9.5004 GPRESSAVG: 2001000 -15.3808 18.1094 -36.3587 21.0865 29.3781 36.6871 -33.369 38.7676 -9.75502 TIMING: 2001000 CPU: 5954.59, 0.00298664/step Wall: 5954.59, 0.00298664/step, 2.48804 hours remaining, 206.128906 MB of memory in use. ENERGY: 2001000 746.7057 2070.9916 1950.2710 119.4695 -206631.2787 17978.4140 0.0000 0.0000 34181.8650 -149583.5619 298.5187 -183765.4269 -149492.7871 298.5423 -48.2611 -14.9518 557575.2463 1.3351 1.4141 PRESSURE: 2001200 127.786 -11.0237 8.36989 -11.0243 -151.154 93.9735 8.36975 93.973 -79.8583 GPRESSURE: 2001200 154.051 -3.87702 -32.6205 51.7755 -106.623 93.1281 -42.9337 114.365 -58.076 PRESSAVG: 2001200 40.5191 -14.0803 -42.3021 -14.0802 -29.9831 15.8379 -42.3021 15.8379 -24.6546 GPRESSAVG: 2001200 40.3166 -11.8298 -41.6004 -17.4013 -29.7355 16.9488 -42.1113 15.2259 -25.0286 TIMING: 2001200 CPU: 5955.18, 0.00297607/step Wall: 5955.18, 0.00297607/step, 2.47906 hours remaining, 206.128906 MB of memory in use. ENERGY: 2001200 770.6353 2109.5755 1967.5646 120.3230 -206445.0728 17893.4236 0.0000 0.0000 33973.5020 -149610.0489 296.6990 -183583.5509 -149517.0941 298.0846 -34.4086 -3.5492 557619.3439 -4.7062 -4.8158 PRESSURE: 2001400 -262.184 30.2299 -174.428 30.2283 -193.95 -65.6789 -174.429 -65.6781 -117.1 GPRESSURE: 2001400 -249.44 24.1464 -272.426 50.6624 -161.894 -47.0406 -201.1 -63.6636 -79.5877 PRESSAVG: 2001400 -29.0634 -33.7815 -25.3774 -33.7815 45.9895 83.5054 -25.3774 83.5054 -12.681 GPRESSAVG: 2001400 -28.6231 -35.7282 -23.6898 -32.6206 47.1758 83.9588 -27.6225 82.2947 -13.5783 TIMING: 2001400 CPU: 5955.77, 0.00295172/step Wall: 5955.77, 0.00295172/step, 2.45862 hours remaining, 206.128906 MB of memory in use. ENERGY: 2001400 765.1756 2030.7100 1933.8223 105.8255 -206105.2431 17539.0912 0.0000 0.0000 34193.5953 -149537.0231 298.6212 -183730.6184 -149438.3892 297.7856 -191.0780 -163.6405 556408.7240 1.4150 1.6581 PRESSURE: 2001600 336.498 -89.7155 13.0702 -89.7166 -51.5741 -73.6096 13.0706 -73.6076 144.581 GPRESSURE: 2001600 420.321 -96.3009 14.6033 -65.302 -40.5641 -18.9666 54.4997 -75.8766 142.93 PRESSAVG: 2001600 76.0585 -28.8089 -27.4033 -28.8089 -69.3596 35.5744 -27.4034 35.5745 24.4968 GPRESSAVG: 2001600 76.0233 -27.6215 -28.972 -29.0444 -70.578 37.3935 -24.835 36.4677 25.3975 TIMING: 2001600 CPU: 5956.36, 0.00296036/step Wall: 5956.36, 0.00296036/step, 2.46565 hours remaining, 206.128906 MB of memory in use. ENERGY: 2001600 716.1097 2066.3559 1945.2099 115.1597 -206756.4506 18219.1542 0.0000 0.0000 34203.5153 -149490.9460 298.7078 -183694.4613 -149392.6668 298.4750 143.1682 174.2290 556769.1473 10.3986 10.2809 PRESSURE: 2001800 -87.1033 6.1907 51.7031 6.19128 -150.172 13.707 51.7036 13.7077 -207.493 GPRESSURE: 2001800 -53.169 -49.354 78.2223 23.8565 -79.7408 19.3866 37.4077 57.1545 -209.622 PRESSAVG: 2001800 25.3139 -19.8719 5.74608 -19.8718 -28.8469 0.50284 5.74607 0.502948 -33.3427 GPRESSAVG: 2001800 25.1848 -21.0617 6.5158 -20.0552 -28.795 -1.86643 4.21176 0.260618 -33.198 TIMING: 2001800 CPU: 5956.96, 0.00297219/step Wall: 5956.96, 0.00297219/step, 2.47534 hours remaining, 206.128906 MB of memory in use. ENERGY: 2001800 768.3514 2091.8551 1945.1571 133.1292 -206372.5861 17677.1846 0.0000 0.0000 34070.8061 -149686.1026 297.5488 -183756.9088 -149594.5376 297.5879 -148.2563 -114.1772 557868.8877 -12.2919 -12.2694 PRESSURE: 2002000 -258.423 25.2329 -1.25823 25.2325 -106.838 13.024 -1.25852 13.0234 -254.626 GPRESSURE: 2002000 -163.608 -15.1582 13.2163 54.7376 -95.4977 102.878 -26.0684 -20.5826 -277.482 PRESSAVG: 2002000 10.1593 2.30859 -23.9037 2.30858 13.9214 39.1976 -23.9037 39.1977 -20.3522 GPRESSAVG: 2002000 11.2144 2.04348 -25.4485 3.11512 13.8563 39.4681 -22.8491 38.0345 -20.9145 TIMING: 2002000 CPU: 5957.55, 0.00297044/step Wall: 5957.55, 0.00297044/step, 2.47372 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: 2002000 745.1249 2041.8135 1934.5166 110.1713 -206176.9416 17679.0196 0.0000 0.0000 34028.5443 -149637.7514 297.1797 -183666.2956 -149539.0461 298.3220 -206.6287 -178.8625 558646.4432 1.2428 1.3854 PRESSURE: 2002200 -238.49 -53.8745 53.5348 -53.8724 150.232 205.729 53.5345 205.729 -285.95 GPRESSURE: 2002200 -172.784 -122.659 71.3338 -26.1483 89.9998 199.314 31.0715 100.882 -199.549 PRESSAVG: 2002200 -57.1919 -22.3071 -23.7626 -22.3071 55.8308 46.5559 -23.7626 46.5559 -39.3251 GPRESSAVG: 2002200 -57.8496 -20.1596 -22.2208 -24.4265 55.964 44.8823 -23.4884 47.128 -39.072 TIMING: 2002200 CPU: 5958.15, 0.00299381/step Wall: 5958.15, 0.00299381/step, 2.49301 hours remaining, 206.128906 MB of memory in use. ENERGY: 2002200 729.2728 2094.6475 1941.8699 107.5727 -206090.0037 17497.0440 0.0000 0.0000 34092.4015 -149627.1953 297.7374 -183719.5968 -149529.3610 298.1374 -124.7361 -94.1109 555287.5379 -13.5621 -13.6525 PRESSURE: 2002400 -146.336 -59.261 211.393 -59.26 -21.5612 33.5621 211.393 33.5618 -4.5754 GPRESSURE: 2002400 -124.152 -38.0668 239.66 -52.5457 -14.7706 167.31 254.303 -8.03238 56.2581 PRESSAVG: 2002400 -29.988 -14.752 -4.64318 -14.752 23.8202 -51.0508 -4.64326 -51.0509 -30.7517 GPRESSAVG: 2002400 -30.0802 -15.1777 -4.29658 -14.2175 23.0663 -49.2951 -6.74414 -50.501 -30.4095 TIMING: 2002400 CPU: 5958.75, 0.00297596/step Wall: 5958.75, 0.00297596/step, 2.47799 hours remaining, 206.128906 MB of memory in use. ENERGY: 2002400 751.2429 2107.6943 1954.7291 116.2855 -206235.8219 17647.5186 0.0000 0.0000 34109.2318 -149549.1196 297.8844 -183658.3514 -149453.1658 298.0441 -57.4909 -27.5549 555045.0164 -12.3065 -12.4745 PRESSURE: 2002600 -110.66 -118.553 8.89752 -118.554 -64.0697 13.4895 8.89908 13.4894 85.7499 GPRESSURE: 2002600 -87.5027 -153.297 14.5754 -3.86461 -11.2622 -38.0951 7.81618 54.8756 118.874 PRESSAVG: 2002600 -39.8788 -43.5592 54.6655 -43.5592 -14.3041 31.191 54.6655 31.191 64.5364 GPRESSAVG: 2002600 -40.4663 -45.0905 53.7056 -42.9085 -13.9829 31.1637 56.4745 31.3519 64.9705 TIMING: 2002600 CPU: 5959.34, 0.00295513/step Wall: 5959.34, 0.00295513/step, 2.46047 hours remaining, 206.128906 MB of memory in use. ENERGY: 2002600 766.3218 2087.7436 1931.7347 117.3090 -206168.3251 17782.4284 0.0000 0.0000 34195.8289 -149286.9587 298.6407 -183482.7876 -149195.3154 298.7164 -29.6600 6.7032 556568.1753 3.4512 3.5071 PRESSURE: 2002800 80.5037 -67.4418 6.13714 -67.4411 -62.1896 -195.389 6.13619 -195.389 -132.599 GPRESSURE: 2002800 78.4036 -41.7152 -20.6006 -132.525 -1.94883 -155.186 -18.9003 -251.295 -83.3099 PRESSAVG: 2002800 -26.2593 -45.216 -13.8859 -45.2161 -61.6498 -9.77294 -13.8859 -9.77285 55.7644 GPRESSAVG: 2002800 -26.1411 -47.5018 -13.4158 -45.9046 -61.3344 -9.35792 -14.566 -11.8486 55.5075 TIMING: 2002800 CPU: 5959.93, 0.00296298/step Wall: 5959.93, 0.00296298/step, 2.46685 hours remaining, 206.128906 MB of memory in use. ENERGY: 2002800 753.8621 2048.9859 1914.4343 109.0776 -206200.3470 17762.8617 0.0000 0.0000 34358.0817 -149253.0437 300.0577 -183611.1253 -149162.1847 299.0746 -38.0951 -2.2850 557653.5552 -10.7149 -10.6560 PRESSURE: 2003000 153.725 -138.664 -62.2132 -138.663 -184.807 -33.2704 -62.2133 -33.271 16.8551 GPRESSURE: 2003000 222.833 -5.26768 -78.4467 -162.353 -162.945 -49.6587 -84.5211 -39.4327 26.9611 PRESSAVG: 2003000 -70.4254 10.2928 -31.7006 10.2928 39.2139 -40.976 -31.7006 -40.976 61.0217 GPRESSAVG: 2003000 -69.2724 11.3053 -33.6484 9.11959 39.1645 -41.8907 -32.1801 -39.5468 60.1102 TIMING: 2003000 CPU: 5960.52, 0.00296934/step Wall: 5960.52, 0.00296934/step, 2.47197 hours remaining, 206.128906 MB of memory in use. ENERGY: 2003000 750.6676 2097.0451 1918.7828 107.8078 -206160.0245 17697.2535 0.0000 0.0000 34326.4154 -149262.0525 299.7811 -183588.4678 -149161.3749 299.3629 -4.7423 28.9497 556486.2332 9.9367 10.0008 PRESSURE: 2003200 176.719 -139.386 132.274 -139.385 -285.975 -68.74 132.276 -68.7401 35.9234 GPRESSURE: 2003200 207.059 -124.657 34.7886 -151.508 -283.763 -87.2958 177.597 -27.9437 101.59 PRESSAVG: 2003200 -14.5747 2.06954 -27.6193 2.06964 -18.6455 -15.3404 -27.6192 -15.3405 48.3303 GPRESSAVG: 2003200 -15.0542 4.03411 -25.2996 2.78186 -18.7825 -15.9033 -28.1691 -15.3628 49.1334 TIMING: 2003200 CPU: 5961.12, 0.00297256/step Wall: 5961.12, 0.00297256/step, 2.47449 hours remaining, 206.128906 MB of memory in use. ENERGY: 2003200 765.3494 2155.7484 1917.3916 116.9885 -206003.8665 17666.2356 0.0000 0.0000 34207.2793 -149174.8738 298.7407 -183382.1531 -149083.2538 299.1623 -24.4443 8.2954 555964.9511 5.0367 5.0989 PRESSURE: 2003400 -118.693 81.2494 -111.879 81.2496 -73.2654 13.9034 -111.878 13.903 307.749 GPRESSURE: 2003400 -22.0335 78.4246 -109.943 40.0642 -69.7804 -58.215 -71.2659 63.9163 315.578 PRESSAVG: 2003400 -19.1483 30.6709 -24.2617 30.6709 -16.8344 -56.9172 -24.2617 -56.9173 19.9089 GPRESSAVG: 2003400 -18.7285 30.6617 -25.2619 29.8928 -17.1882 -55.8931 -22.5752 -57.7497 19.5267 TIMING: 2003400 CPU: 5961.71, 0.0029667/step Wall: 5961.71, 0.0029667/step, 2.46945 hours remaining, 206.128906 MB of memory in use. ENERGY: 2003400 738.5993 2062.3359 1956.7686 134.0154 -206457.0252 17992.6491 0.0000 0.0000 34285.4429 -149287.2139 299.4233 -183572.6569 -149195.1791 299.5324 38.5970 74.5880 557198.6454 -5.3579 -5.4633 PRESSURE: 2003600 -116.075 -29.6265 74.7085 -29.6266 -246.356 19.9449 74.7077 19.9439 -315.618 GPRESSURE: 2003600 -118.894 -131.871 83 4.83024 -189.848 10.6071 55.0142 -11.9228 -283.875 PRESSAVG: 2003600 10.4874 -13.691 -27.2028 -13.691 -13.1393 -30.2159 -27.2029 -30.2159 -38.7686 GPRESSAVG: 2003600 9.12761 -13.2715 -25.4911 -13.0342 -12.3137 -30.5064 -29.7363 -29.179 -38.2004 TIMING: 2003600 CPU: 5962.31, 0.00298689/step Wall: 5962.31, 0.00298689/step, 2.48609 hours remaining, 206.128906 MB of memory in use. ENERGY: 2003600 748.2463 2179.1821 1945.8019 131.4810 -205831.5728 17488.7391 0.0000 0.0000 34173.5347 -149164.5877 298.4460 -183338.1223 -149062.3002 300.1604 -226.0164 -197.5389 558290.6353 -13.8068 -13.7955 PRESSURE: 2003800 55.6914 182.505 -37.4029 182.505 -116.943 -184.954 -37.4035 -184.957 -133.325 GPRESSURE: 2003800 107.528 197.103 10.404 124.362 -72.9061 -157.466 -82.6617 -88.7494 -145.511 PRESSAVG: 2003800 54.8943 0.722859 -38.7799 0.722988 -23.2269 -27.11 -38.7799 -27.11 -0.721355 GPRESSAVG: 2003800 56.7659 0.829625 -40.279 0.776255 -23.4563 -31.4792 -37.8427 -27.4867 -2.20139 TIMING: 2003800 CPU: 5962.91, 0.0029928/step Wall: 5962.91, 0.0029928/step, 2.49084 hours remaining, 206.128906 MB of memory in use. ENERGY: 2003800 737.0585 2128.2629 1969.4947 107.0871 -206564.2138 17830.6665 0.0000 0.0000 34607.9311 -149183.7129 302.2397 -183791.6441 -149089.7837 300.6074 -64.8587 -36.9630 557857.1997 10.3153 10.3694 PRESSURE: 2004000 -20.796 -1.80817 -181.173 -1.80817 -301.365 -58.5738 -181.173 -58.5752 6.92053 GPRESSURE: 2004000 26.7616 -84.5695 -177.352 68.5641 -259.982 -98.6512 -173.217 -32.6533 29.3178 PRESSAVG: 2004000 40.4411 9.24476 -11.1948 9.24473 -2.92594 -23.1826 -11.1947 -23.1827 -59.8688 GPRESSAVG: 2004000 39.0181 8.34205 -12.4108 8.09862 -2.70942 -19.5537 -11.2299 -23.3319 -58.5163 TIMING: 2004000 CPU: 5963.51, 0.00300834/step Wall: 5963.51, 0.00300834/step, 2.50361 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: 2004000 766.0388 2093.8799 1946.2381 109.2766 -205893.6893 17600.9726 0.0000 0.0000 34237.4484 -149139.8348 299.0042 -183377.2832 -149045.8903 299.9569 -105.0803 -67.9675 558640.2044 -7.4512 -7.4025 PRESSURE: 2004200 -10.7423 106.343 -28.1517 106.342 -102.995 108.541 -28.1522 108.543 -43.5446 GPRESSURE: 2004200 13.5256 68.751 69.8474 202.303 -69.5605 130.315 -73.4801 46.6375 -20.8381 PRESSAVG: 2004200 -47.3539 0.275621 -28.1607 0.275524 -46.2182 10.8958 -28.1607 10.8959 80.7815 GPRESSAVG: 2004200 -47.5695 0.354979 -27.6271 -0.361194 -46.5836 11.5454 -26.5621 11.478 81.6092 TIMING: 2004200 CPU: 5964.11, 0.00298679/step Wall: 5964.11, 0.00298679/step, 2.4855 hours remaining, 206.183594 MB of memory in use. ENERGY: 2004200 735.3363 2119.4907 1958.7800 117.4245 -206230.0786 17828.4344 0.0000 0.0000 34427.3765 -149043.2362 300.6628 -183470.6126 -148945.2453 300.0650 -52.4272 -25.6243 557321.9483 -4.2635 -4.1813 LDB: ============= START OF LOAD BALANCING ============== 5967.54 LDB: ============== END OF LOAD BALANCING =============== 5967.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5967.54 LDB: ============= START OF LOAD BALANCING ============== 5967.84 LDB: Largest compute 4821 load 0.026065 is 22.1% of average load 0.118039 LDB: Average compute 0.001717 is 1.5% of average load 0.118039 LDB: TIME 5967.84 LOAD: AVG 0.118039 MAX 0.200551 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.355 MB LDB: TIME 5967.84 LOAD: AVG 0.118039 MAX 0.200551 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: TIME 5967.85 LOAD: AVG 0.118039 MAX 0.200551 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5967.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5967.85 PRESSURE: 2004400 -35.2704 -171.497 -75.5135 -171.496 41.6481 32.6433 -75.5131 32.6433 172.616 GPRESSURE: 2004400 19.8301 -176.957 -89.5209 -113.891 84.4163 30.7523 2.49062 -77.7902 170.898 PRESSAVG: 2004400 -4.26092 22.6538 46.3045 22.6538 -41.9366 19.1445 46.3046 19.1445 52.4884 GPRESSAVG: 2004400 -2.86511 22.4076 47.3571 25.1265 -41.4746 17.5132 43.5737 18.8671 50.7216 TIMING: 2004400 CPU: 5964.72, 0.00307829/step Wall: 5964.72, 0.00307829/step, 2.56148 hours remaining, 206.125000 MB of memory in use. ENERGY: 2004400 749.0372 2132.4848 1936.5022 108.1101 -206228.8567 17891.3017 0.0000 0.0000 34576.1984 -148835.2223 301.9625 -183411.4207 -148734.1431 300.3244 59.6647 91.7146 558554.8360 2.0970 2.1273 PRESSURE: 2004600 84.6892 32.3384 -19.635 32.3373 147.589 -34.1586 -19.6343 -34.1586 37.3848 GPRESSURE: 2004600 97.8716 85.6238 51.3663 5.4713 180.921 -14.6347 -91.0592 -116.973 93.0219 PRESSAVG: 2004600 29.3576 -29.862 22.5092 -29.8619 1.4292 -5.46679 22.5092 -5.46677 -32.8625 GPRESSAVG: 2004600 27.699 -30.5302 23.3372 -30.6797 1.29696 -4.68951 21.0484 -5.59993 -30.4731 TIMING: 2004600 CPU: 5965.32, 0.00299247/step Wall: 5965.32, 0.00299247/step, 2.4899 hours remaining, 206.125000 MB of memory in use. ENERGY: 2004600 759.1328 2119.6866 1963.4763 108.4023 -206030.8046 17888.4120 0.0000 0.0000 34358.2442 -148833.4504 300.0591 -183191.6946 -148740.6006 300.6195 89.8878 123.9383 557924.5321 -0.6919 -0.4924 PRESSURE: 2004800 -157.307 74.5681 -29.3029 74.5687 -81.4688 -133.582 -29.3029 -133.583 6.16572 GPRESSURE: 2004800 -143.156 39.5886 -58.9536 129.2 -39.8605 -263.47 -9.25271 -127.635 44.7105 PRESSAVG: 2004800 36.4733 -19.1751 2.85822 -19.1751 27.8794 -47.694 2.85824 -47.694 -27.6319 GPRESSAVG: 2004800 36.6618 -20.6208 0.18264 -18.6599 27.6657 -45.8961 4.52069 -47.9129 -27.7783 TIMING: 2004800 CPU: 5965.92, 0.00298248/step Wall: 5965.92, 0.00298248/step, 2.48142 hours remaining, 206.125000 MB of memory in use. ENERGY: 2004800 792.8133 2124.6501 1962.7542 111.3447 -205888.0872 17693.5652 0.0000 0.0000 34285.2293 -148917.7302 299.4214 -183202.9595 -148815.3525 300.6392 -77.5367 -46.1019 558739.6570 12.2403 12.1830 PRESSURE: 2005000 217.641 117.635 31.9894 117.635 62.672 -33.1193 31.989 -33.1184 -158.892 GPRESSURE: 2005000 251.093 133.037 -54.0444 123.489 60.1135 16.6235 -8.35549 -116.791 -82.2469 PRESSAVG: 2005000 5.84227 67.8903 33.644 67.8903 44.4777 -22.2067 33.644 -22.2066 -45.4893 GPRESSAVG: 2005000 5.94504 71.0165 35.0058 67.806 44.6472 -21.177 32.4679 -24.4933 -45.0273 TIMING: 2005000 CPU: 5966.52, 0.00299356/step Wall: 5966.52, 0.00299356/step, 2.49047 hours remaining, 206.125000 MB of memory in use. ENERGY: 2005000 770.6807 2085.7152 1931.2066 109.2756 -206058.0967 17762.9600 0.0000 0.0000 34444.1644 -148954.0944 300.8095 -183398.2587 -148859.8178 300.3177 40.4736 76.3199 558005.2096 1.6102 1.8550 PRESSURE: 2005200 98.5484 -15.401 79.5441 -15.4012 -114.813 -91.4323 79.544 -91.4319 -86.5275 GPRESSURE: 2005200 125.493 -54.6829 67.083 35.4185 -78.6783 -73.671 78.0968 -96.8069 -57.9155 PRESSAVG: 2005200 -6.84952 52.2699 -12.7722 52.2699 17.6596 11.8392 -12.7723 11.8392 2.61109 GPRESSAVG: 2005200 -6.15844 49.7989 -12.9486 52.8717 17.5199 10.5091 -9.90766 12.4244 1.78571 TIMING: 2005200 CPU: 5967.11, 0.00298357/step Wall: 5967.11, 0.00298357/step, 2.482 hours remaining, 206.125000 MB of memory in use. ENERGY: 2005200 804.8654 2143.6234 1939.3962 113.6829 -206197.4315 17880.9594 0.0000 0.0000 34445.3601 -148869.5441 300.8199 -183314.9042 -148766.3925 300.7270 -34.2642 -3.7002 559025.3532 4.4737 4.3824 PRESSURE: 2005400 83.5007 -95.786 40.0204 -95.7864 100.445 -28.2281 40.0216 -28.2285 77.7434 GPRESSURE: 2005400 143.128 -172.308 24.6793 -28.0674 94.6435 -79.6451 35.6979 -33.7094 106.009 PRESSAVG: 2005400 -66.5442 20.7583 -62.6551 20.7583 38.9494 -60.7065 -62.6551 -60.7065 58.5107 GPRESSAVG: 2005400 -66.4499 23.3701 -63.3705 21.6249 38.9351 -61.6734 -64.5313 -60.4618 58.38 TIMING: 2005400 CPU: 5967.71, 0.00296981/step Wall: 5967.71, 0.00296981/step, 2.47038 hours remaining, 206.125000 MB of memory in use. ENERGY: 2005400 770.9868 2055.4015 1955.4313 111.9011 -206404.2476 18129.6936 0.0000 0.0000 34534.8283 -148846.0050 301.6012 -183380.8333 -148737.1491 300.8483 87.2298 114.5937 557791.8128 10.3053 10.2884 PRESSURE: 2005600 43.3306 77.2529 32.9656 77.2534 -56.513 -46.8046 32.9669 -46.8038 -222.9 GPRESSURE: 2005600 -1.52874 106.041 -3.79302 113.747 43.7471 -4.81205 72.6848 59.1628 -186.834 PRESSAVG: 2005600 32.2209 -10.1984 29.2325 -10.1983 5.46958 16.9857 29.2325 16.9857 -91.3799 GPRESSAVG: 2005600 32.4115 -12.4522 30.9643 -9.6998 6.01701 16.4524 28.456 18.1372 -91.5636 TIMING: 2005600 CPU: 5968.3, 0.00298048/step Wall: 5968.3, 0.00298048/step, 2.4791 hours remaining, 206.125000 MB of memory in use. ENERGY: 2005600 766.6841 2115.9745 1941.7295 108.4091 -205631.0839 17618.5869 0.0000 0.0000 34191.5314 -148888.1685 298.6031 -183079.6999 -148793.2159 300.1711 -78.6942 -48.2051 559461.6927 -17.8965 -17.7117 PRESSURE: 2005800 -171.251 -21.1851 -40.8893 -21.1867 -264.16 61.4118 -40.89 61.4141 287.876 GPRESSURE: 2005800 -138.174 -3.14017 -57.047 -30.5157 -191.08 81.0565 44.3527 182.27 281.681 PRESSAVG: 2005800 -26.0749 16.9272 -2.49978 16.9273 67.9662 2.7719 -2.49968 2.77182 14.074 GPRESSAVG: 2005800 -26.3364 17.2745 -3.64518 15.7213 67.5945 4.40029 -0.577017 2.17738 14.5129 TIMING: 2005800 CPU: 5968.9, 0.0029951/step Wall: 5968.9, 0.0029951/step, 2.49109 hours remaining, 206.125000 MB of memory in use. ENERGY: 2005800 777.0207 2069.6182 1953.5323 120.3624 -206010.9881 17731.9021 0.0000 0.0000 34476.5084 -148882.0440 301.0919 -183358.5524 -148782.3071 300.3027 -49.1784 -15.8578 557251.0171 18.6551 18.5903 PRESSURE: 2006000 -445.283 -47.6985 -98.1309 -47.699 -223.458 -6.60839 -98.1302 -6.6094 -238.805 GPRESSURE: 2006000 -394.701 -64.7476 -93.3869 -13.2668 -230.191 32.5663 -73.8204 15.1202 -186.916 PRESSAVG: 2006000 -59.4802 9.88288 -15.2325 9.88299 -26.6095 39.0452 -15.2326 39.0453 40.0466 GPRESSAVG: 2006000 -59.2382 9.01761 -13.9254 9.58263 -26.4273 38.99 -18.7813 40.8363 39.5319 TIMING: 2006000 CPU: 5969.5, 0.00298954/step Wall: 5969.5, 0.00298954/step, 2.4863 hours remaining, 206.125000 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: 2006000 746.4335 2098.3200 1936.3268 115.3176 -205636.1381 17434.2277 0.0000 0.0000 34537.1740 -148768.3384 301.6217 -183305.5124 -148666.2046 300.8980 -302.5152 -270.6026 559895.5891 -15.3477 -15.3779 PRESSURE: 2006200 -223.887 -59.1579 -51.2087 -59.1584 -62.0619 -73.3181 -51.2084 -73.3172 5.5456 GPRESSURE: 2006200 -212.523 21.7836 13.9354 -100.882 -35.3707 -59.2993 -58.5179 -55.2355 72.1514 PRESSAVG: 2006200 -87.1413 -21.0231 -23.3054 -21.0231 51.9926 8.6423 -23.3055 8.64223 33.2048 GPRESSAVG: 2006200 -88.1284 -19.9881 -22.9843 -20.7521 53.1326 8.27103 -24.0208 7.95611 33.4326 TIMING: 2006200 CPU: 5970.1, 0.00299236/step Wall: 5970.1, 0.00299236/step, 2.48848 hours remaining, 206.125000 MB of memory in use. ENERGY: 2006200 775.5725 2097.1631 1944.9069 113.5787 -205772.3911 17768.2154 0.0000 0.0000 34373.4532 -148699.5013 300.1919 -183072.9545 -148598.2781 300.8656 -93.4678 -58.5808 558618.3827 -0.6480 -0.5211 PRESSURE: 2006400 -4.44998 -119.25 225.807 -119.251 2.72574 123.971 225.807 123.971 -262.977 GPRESSURE: 2006400 42.8025 -200.358 306.131 -116.285 15.5464 163.385 196.487 42.5253 -232.724 PRESSAVG: 2006400 -20.0226 -2.51552 21.1377 -2.51548 -21.8565 -15.4291 21.1378 -15.4291 67.3615 GPRESSAVG: 2006400 -19.808 -2.35308 20.2843 -2.84865 -22.0025 -13.7015 22.9938 -15.4592 67.6137 TIMING: 2006400 CPU: 5970.69, 0.00297732/step Wall: 5970.69, 0.00297732/step, 2.4758 hours remaining, 206.125000 MB of memory in use. ENERGY: 2006400 781.4741 2067.0346 1947.7698 113.1359 -205640.1204 17649.7021 0.0000 0.0000 34366.4514 -148714.5525 300.1308 -183081.0039 -148626.8687 301.2015 -88.2336 -58.1249 559564.0064 8.4941 8.6010 PRESSURE: 2006600 -44.3137 5.48639 -56.6828 5.4866 -102.743 -163.915 -56.683 -163.913 -147.626 GPRESSURE: 2006600 -17.8252 -0.251621 -63.9893 -51.6301 -102.119 -153.422 -79.6689 -209.633 -83.645 PRESSAVG: 2006600 -57.0293 -16.4063 -18.6809 -16.4064 -13.4408 -48.2129 -18.6809 -48.2129 39.6098 GPRESSAVG: 2006600 -57.2257 -16.864 -20.6672 -16.3808 -14.0013 -50.804 -16.4904 -48.3507 40.0569 TIMING: 2006600 CPU: 5971.29, 0.00298829/step Wall: 5971.29, 0.00298829/step, 2.48477 hours remaining, 206.125000 MB of memory in use. ENERGY: 2006600 750.3925 2163.7917 1949.2450 114.6675 -205491.1564 17549.8677 0.0000 0.0000 34184.1588 -148779.0332 298.5388 -182963.1920 -148690.6894 300.2623 -98.2277 -67.8629 558713.4616 -10.2868 -10.3900 PRESSURE: 2006800 136.397 -68.9069 197.937 -68.9075 222.726 -20.0018 197.937 -20.0006 228.523 GPRESSURE: 2006800 120.822 -4.60133 234.356 -102.065 280.595 -16.8609 256.847 -81.2617 284.731 PRESSAVG: 2006800 -53.4697 -10.042 -20.3653 -10.0419 41.8646 -37.2861 -20.3654 -37.2862 15.1597 GPRESSAVG: 2006800 -52.3128 -9.0441 -18.0242 -9.63726 41.5895 -35.4762 -21.6406 -36.6225 14.5219 TIMING: 2006800 CPU: 5971.89, 0.00298471/step Wall: 5971.89, 0.00298471/step, 2.48162 hours remaining, 206.125000 MB of memory in use. ENERGY: 2006800 793.2931 2128.9067 1943.0706 114.2102 -205898.1785 17814.8684 0.0000 0.0000 34282.2982 -148821.5312 299.3958 -183103.8294 -148729.1113 300.5493 195.8820 228.7157 555764.1869 1.1848 1.2662 PRESSURE: 2007000 -220.674 -124.981 40.0114 -124.981 -81.7945 -11.5537 40.0124 -11.5541 -238.182 GPRESSURE: 2007000 -220.107 -163.01 -10.194 -86.0731 -27.1765 -140.144 88.8792 31.8305 -204.644 PRESSAVG: 2007000 -48.527 28.6759 10.0823 28.6759 55.5965 48.8202 10.0823 48.8201 61.6508 GPRESSAVG: 2007000 -49.2282 29.2756 10.5327 28.8497 55.9592 47.8447 8.05075 47.9145 61.4605 TIMING: 2007000 CPU: 5972.49, 0.00300975/step Wall: 5972.49, 0.00300975/step, 2.50227 hours remaining, 206.125000 MB of memory in use. ENERGY: 2007000 789.7932 2139.3366 1905.9448 102.3394 -206044.2373 17803.5783 0.0000 0.0000 34351.6097 -148951.6353 300.0012 -183303.2450 -148852.0973 300.3439 -180.2166 -150.6422 558965.0263 22.9067 22.7305 PRESSURE: 2007200 -10.3636 -92.2855 -17.5229 -92.2859 -25.5056 101.633 -17.524 101.633 -30.3393 GPRESSURE: 2007200 61.1442 -118.715 19.5988 -32.2936 35.4124 146.075 32.2272 118.767 -67.5699 PRESSAVG: 2007200 -11.6168 17.1028 18.9999 17.1029 0.402819 21.0517 18.9998 21.0516 -2.67021 GPRESSAVG: 2007200 -11.684 17.0054 17.5625 15.7783 -0.206959 20.4003 21.3098 22.0439 -2.09274 TIMING: 2007200 CPU: 5973.09, 0.00302129/step Wall: 5973.09, 0.00302129/step, 2.5117 hours remaining, 206.125000 MB of memory in use. ENERGY: 2007200 740.5923 2132.0520 1926.2488 117.6852 -206267.1301 17875.9401 0.0000 0.0000 34318.9746 -149155.6371 299.7161 -183474.6117 -149063.4890 299.2932 -22.0695 9.6623 558502.3658 -4.6280 -4.6612 PRESSURE: 2007400 -103.763 -142.818 49.4447 -142.819 -202.762 53.4656 49.4449 53.4661 71.2804 GPRESSURE: 2007400 -79.9685 -203.173 118.805 -139.391 -141.753 100.497 91.7831 27.5379 81.0939 PRESSAVG: 2007400 -45.0184 -33.7077 46.8853 -33.7075 1.89522 55.6377 46.8853 55.6378 5.88118 GPRESSAVG: 2007400 -43.746 -34.0733 48.4497 -32.675 2.38958 54.8277 46.5759 55.942 4.47549 TIMING: 2007400 CPU: 5973.69, 0.00300279/step Wall: 5973.69, 0.00300279/step, 2.49615 hours remaining, 206.125000 MB of memory in use. ENERGY: 2007400 763.9563 2139.4165 1925.2127 116.1059 -205882.6315 17792.5860 0.0000 0.0000 34109.8606 -149035.4935 297.8899 -183145.3541 -148935.5203 299.2695 -78.4150 -46.8760 558115.0465 -12.4140 -12.2937 PRESSURE: 2007600 -112.121 -48.1483 -36.523 -48.1476 74.0823 -64.6075 -36.5227 -64.6078 -8.11709 GPRESSURE: 2007600 -56.145 -35.6675 34.4245 11.637 109.023 0.0832754 -26.8407 -179.379 -8.03779 PRESSAVG: 2007600 36.1249 -20.5174 34.1276 -20.5174 -8.03623 1.63485 34.1277 1.63491 -47.6505 GPRESSAVG: 2007600 35.691 -20.6535 33.7725 -18.9095 -7.32683 3.00226 34.3706 -0.345567 -47.315 TIMING: 2007600 CPU: 5974.29, 0.00298028/step Wall: 5974.29, 0.00298028/step, 2.47728 hours remaining, 206.125000 MB of memory in use. ENERGY: 2007600 788.8583 2134.3114 1943.1498 112.9211 -206044.7864 17887.7933 0.0000 0.0000 34182.9136 -148994.8390 298.5279 -183177.7526 -148888.0360 299.2431 -15.3853 14.9466 557652.4873 -6.5206 -6.3169 PRESSURE: 2007800 -474.902 69.5337 86.002 69.5352 -111.554 110.189 85.9996 110.189 -491.979 GPRESSURE: 2007800 -449.944 70.6732 134.433 72.5503 -149.665 92.5494 86.385 126.072 -388.634 PRESSAVG: 2007800 48.0538 8.83775 -8.78221 8.83774 -22.0534 22.5706 -8.78219 22.5705 -41.0782 GPRESSAVG: 2007800 48.6553 9.4866 -9.86912 5.86148 -22.8523 22.8315 -7.34813 21.9037 -40.7525 TIMING: 2007800 CPU: 5974.89, 0.0030009/step Wall: 5974.89, 0.0030009/step, 2.49424 hours remaining, 206.125000 MB of memory in use. ENERGY: 2007800 764.8917 2130.7205 1936.3449 101.4353 -205533.6247 17250.5100 0.0000 0.0000 34318.4514 -149031.2709 299.7116 -183349.7223 -148935.7459 299.9706 -359.4780 -329.4145 559178.1142 -5.0259 -4.9832 PRESSURE: 2008000 -29.4168 -57.5106 155.327 -57.5111 15.3814 110.738 155.327 110.739 -284.046 GPRESSURE: 2008000 -70.2779 -30.375 139.929 -67.995 75.0038 154.775 133.476 -2.06746 -203.796 PRESSAVG: 2008000 10.2886 -3.29322 -9.86659 -3.29321 13.1058 -35.7883 -9.86643 -35.7882 -48.2556 GPRESSAVG: 2008000 8.71077 -3.60571 -10.824 -2.14394 13.7072 -37.8436 -13.6727 -34.2083 -46.7922 TIMING: 2008000 CPU: 5975.49, 0.0030123/step Wall: 5975.49, 0.0030123/step, 2.50355 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: 2008000 763.3396 2115.9293 1952.0877 118.0263 -205688.3330 17586.7870 0.0000 0.0000 34259.1494 -148893.0138 299.1937 -183152.1632 -148797.8873 299.6750 -99.3604 -66.3565 557457.6379 -8.2870 -8.1247 PRESSURE: 2008200 290.118 10.4087 108.343 10.4085 -118.046 -46.147 108.343 -46.1472 146.841 GPRESSURE: 2008200 320.586 -9.45007 174.196 57.2463 -89.5655 22.9108 26.6496 -34.6966 178.011 PRESSAVG: 2008200 -45.387 37.7586 0.392858 37.7585 -35.6513 -3.92266 0.392883 -3.92264 23.802 GPRESSAVG: 2008200 -45.157 38.6173 1.74841 36.1152 -34.2782 0.0243843 1.14824 -5.1089 22.8385 TIMING: 2008200 CPU: 5976.09, 0.00299732/step Wall: 5976.09, 0.00299732/step, 2.49094 hours remaining, 206.179688 MB of memory in use. ENERGY: 2008200 708.7178 2120.7634 1943.0924 128.6270 -206042.7590 17933.8468 0.0000 0.0000 34246.4722 -148961.2395 299.0830 -183207.7117 -148873.3117 299.4339 106.3044 136.3439 557818.6145 -19.0788 -18.8655 LDB: ============= START OF LOAD BALANCING ============== 5979.52 LDB: ============== END OF LOAD BALANCING =============== 5979.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5979.53 LDB: ============= START OF LOAD BALANCING ============== 5979.82 LDB: Largest compute 4821 load 0.027453 is 23.3% of average load 0.117945 LDB: Average compute 0.001725 is 1.5% of average load 0.117945 LDB: TIME 5979.83 LOAD: AVG 0.117945 MAX 0.198744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.918 MB LDB: TIME 5979.83 LOAD: AVG 0.117945 MAX 0.198744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 5979.83 LOAD: AVG 0.117945 MAX 0.198744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5979.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5979.83 PRESSURE: 2008400 -160.835 122.606 139.982 122.606 -67.2346 110.169 139.982 110.168 -263.445 GPRESSURE: 2008400 -142.011 101.079 191.564 147.704 -27.761 140.416 164.713 32.2749 -230.135 PRESSAVG: 2008400 -1.60661 16.8222 -4.8191 16.8221 0.934711 -20.9645 -4.81912 -20.9645 1.25262 GPRESSAVG: 2008400 -0.694049 16.1873 -5.90705 18.7474 0.42844 -24.4403 -1.87853 -19.8713 0.671066 TIMING: 2008400 CPU: 5976.7, 0.00305018/step Wall: 5976.7, 0.00305018/step, 2.5347 hours remaining, 206.964844 MB of memory in use. ENERGY: 2008400 743.8173 2067.0933 1938.8195 113.7319 -205372.1561 17359.1351 0.0000 0.0000 34332.2372 -148817.3217 299.8320 -183149.5589 -148711.3204 299.6012 -163.8382 -133.3021 559576.8152 0.1936 0.1352 PRESSURE: 2008600 7.994 47.0578 145.273 47.0573 -151.086 -80.7438 145.272 -80.7447 -102.27 GPRESSURE: 2008600 14.7472 37.3639 191.031 138.232 -111.106 -3.27574 139.15 -186.765 -63.9743 PRESSAVG: 2008600 -3.53478 48.7654 34.7126 48.7654 -40.3969 -71.3721 34.7126 -71.3722 12.9369 GPRESSAVG: 2008600 -3.86522 48.5723 34.58 48.8271 -40.9198 -70.5616 33.3542 -71.4649 13.5036 TIMING: 2008600 CPU: 5977.3, 0.00299389/step Wall: 5977.3, 0.00299389/step, 2.48776 hours remaining, 207.167969 MB of memory in use. ENERGY: 2008600 751.7254 2174.3387 1936.0110 108.4406 -205997.3676 17753.4651 0.0000 0.0000 34285.5583 -148987.8285 299.4243 -183273.3868 -148897.4304 300.2078 -81.7874 -53.4444 558439.5347 -10.3316 -10.4271 PRESSURE: 2008800 1.10072 -96.5714 -68.6001 -96.5735 -32.7962 40.7758 -68.5992 40.776 343.041 GPRESSURE: 2008800 44.1692 -138.759 -135.401 -13.6861 -58.1399 -58.7998 -170.892 126.675 415.819 PRESSAVG: 2008800 47.4629 15.1665 -15.0037 15.1665 -76.922 -52.8494 -15.0036 -52.8494 33.3433 GPRESSAVG: 2008800 46.7071 14.7049 -14.8424 15.2533 -76.3175 -53.9731 -15.9998 -50.1776 33.4724 TIMING: 2008800 CPU: 5977.9, 0.00297597/step Wall: 5977.9, 0.00297597/step, 2.4727 hours remaining, 207.167969 MB of memory in use. ENERGY: 2008800 769.8446 2107.9323 1958.0517 117.8902 -205900.5833 17819.0605 0.0000 0.0000 34201.3360 -148926.4680 298.6888 -183127.8039 -148828.1658 299.8251 103.7819 133.9494 556888.9486 1.2947 1.2873 PRESSURE: 2009000 -38.6507 -140.277 -50.5595 -140.278 -72.544 -137.64 -50.5592 -137.639 192.514 GPRESSURE: 2009000 14.608 -156.819 -54.6197 -65.4274 -40.2687 -103.856 -164.507 -131.009 197.83 PRESSAVG: 2009000 -21.1575 -33.3374 -36.4465 -33.3374 23.5354 -27.4325 -36.4466 -27.4325 26.5958 GPRESSAVG: 2009000 -20.0134 -32.5327 -35.6985 -33.3271 21.8975 -26.6547 -37.4424 -31.372 27.4696 TIMING: 2009000 CPU: 5978.49, 0.00298934/step Wall: 5978.49, 0.00298934/step, 2.48364 hours remaining, 207.167969 MB of memory in use. ENERGY: 2009000 756.8086 2085.3834 1948.5194 103.3671 -205883.0899 17758.9119 0.0000 0.0000 34215.5709 -149014.5286 298.8131 -183230.0995 -148914.5366 299.8625 27.1064 57.3898 557913.6797 9.6579 9.7845 PRESSURE: 2009200 95.3775 -36.5504 -58.8383 -36.5495 -7.9569 -135.004 -58.8378 -135.005 47.2385 GPRESSURE: 2009200 141 23.6737 -23.1208 21.9065 4.94282 -129.879 -48.8235 -157.179 110.711 PRESSAVG: 2009200 23.7236 -17.1159 -37.089 -17.1159 5.66998 -66.9882 -37.089 -66.9881 -7.65451 GPRESSAVG: 2009200 23.5502 -15.4467 -38.2411 -19.0986 6.18942 -67.0194 -33.4017 -65.8699 -7.30721 TIMING: 2009200 CPU: 5979.09, 0.00298478/step Wall: 5979.09, 0.00298478/step, 2.47969 hours remaining, 207.167969 MB of memory in use. ENERGY: 2009200 761.5461 2073.8210 1937.6378 119.4007 -205876.9731 17769.3919 0.0000 0.0000 34126.4611 -149088.7144 298.0349 -183215.1756 -148990.3664 299.4251 44.8864 85.5510 557309.5556 7.2464 7.4775 PRESSURE: 2009400 80.1482 183.169 -69.1926 183.168 -28.902 -29.9707 -69.1935 -29.9729 -53.0034 GPRESSURE: 2009400 147.142 208.259 -65.3204 159.935 1.97984 -38.9627 -128.989 -118.843 -58.9625 PRESSAVG: 2009400 16.01 3.39953 -33.3371 3.39956 -4.97993 -53.8248 -33.337 -53.8248 -31.0704 GPRESSAVG: 2009400 15.959 2.15676 -33.7762 4.58757 -3.81608 -54.217 -36.0773 -53.8384 -31.7714 TIMING: 2009400 CPU: 5979.69, 0.00299549/step Wall: 5979.69, 0.00299549/step, 2.48842 hours remaining, 207.167969 MB of memory in use. ENERGY: 2009400 745.9089 2055.8179 1920.9985 120.3478 -205776.5258 17659.9614 0.0000 0.0000 34221.3824 -149052.1089 298.8638 -183273.4913 -148952.8067 299.7587 -0.5857 30.0533 557174.3988 -6.6801 -6.5428 PRESSURE: 2009600 6.59791 69.095 72.5061 69.0961 -54.9441 277.283 72.5077 277.282 5.71625 GPRESSURE: 2009600 72.421 79.8129 103.79 87.6168 -74.1539 261.813 121.453 275.475 35.7213 PRESSAVG: 2009600 5.24081 44.722 -24.2505 44.7221 6.91218 23.8313 -24.2504 23.8313 -3.37052 GPRESSAVG: 2009600 6.31643 43.8386 -21.7163 45.1714 5.56058 24.5141 -23.9708 24.2807 -3.52408 TIMING: 2009600 CPU: 5980.28, 0.00296664/step Wall: 5980.28, 0.00296664/step, 2.46429 hours remaining, 207.167969 MB of memory in use. ENERGY: 2009600 725.4872 2155.9234 1939.3986 103.1700 -206014.8972 17670.0756 0.0000 0.0000 34353.2151 -149067.6274 300.0152 -183420.8425 -148964.4957 299.7183 -14.2100 11.3295 557945.1389 2.9275 2.7843 PRESSURE: 2009800 3.50822 169.945 -22.6523 169.945 -232.408 19.9817 -22.6517 19.9814 -132.203 GPRESSURE: 2009800 55.938 163.145 -121.595 223.097 -187.891 46.6131 -2.10693 -56.041 -136.301 PRESSAVG: 2009800 -33.3476 36.2453 8.58945 36.2453 -35.6872 15.5032 8.58943 15.5032 78.2494 GPRESSAVG: 2009800 -33.5414 35.9707 6.59382 36.4325 -34.4215 15.4753 10.5288 15.6411 77.54 TIMING: 2009800 CPU: 5980.88, 0.00299729/step Wall: 5980.88, 0.00299729/step, 2.48958 hours remaining, 207.167969 MB of memory in use. ENERGY: 2009800 755.2091 2094.8930 1928.2024 112.0383 -205891.3636 17721.1346 0.0000 0.0000 34330.7851 -148949.1012 299.8193 -183279.8862 -148854.2845 299.5033 -120.3677 -89.4182 559577.2794 3.0716 3.1924 PRESSURE: 2010000 124.221 100.435 175.82 100.434 110.897 1.23314 175.82 1.23272 -14.625 GPRESSURE: 2010000 121.824 54.0129 194.659 119.363 150.877 -50.776 180.975 83.4117 40.9694 PRESSAVG: 2010000 3.68314 37.0111 15.365 37.011 -16.6881 20.8296 15.3649 20.8296 61.6408 GPRESSAVG: 2010000 3.55385 37.8923 14.416 35.7942 -17.1328 21.7778 14.5957 19.6948 62.2366 TIMING: 2010000 CPU: 5981.49, 0.00301867/step Wall: 5981.49, 0.00301867/step, 2.50717 hours remaining, 207.167969 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: 2010000 773.7678 2098.4581 1945.7280 112.6934 -206068.3677 17959.8125 0.0000 0.0000 34341.6065 -148836.3014 299.9138 -183177.9078 -148734.6804 299.6113 73.4977 104.5568 558847.0640 16.2119 16.2192 PRESSURE: 2010200 -194.488 -94.1794 36.2063 -94.1792 -26.2776 140.68 36.206 140.679 -242.456 GPRESSURE: 2010200 -168.705 -17.849 -8.00925 -177.524 9.26228 172.288 24.676 53.0177 -212.041 PRESSAVG: 2010200 -20.4825 31.4034 -2.96637 31.4034 48.8993 45.1332 -2.96642 45.1331 -46.5176 GPRESSAVG: 2010200 -20.8306 31.2621 -3.83406 30.836 49.1521 44.5856 -4.31345 47.3137 -46.0709 TIMING: 2010200 CPU: 5982.08, 0.00298905/step Wall: 5982.08, 0.00298905/step, 2.4824 hours remaining, 207.167969 MB of memory in use. ENERGY: 2010200 758.8409 2061.9619 1967.4408 98.9621 -205952.4601 17699.3518 0.0000 0.0000 34552.2405 -148813.6621 301.7533 -183365.9026 -148712.2702 299.9680 -154.4073 -123.8281 558430.9866 -6.0336 -5.9165 PRESSURE: 2010400 35.9776 35.9924 -38.8054 35.9913 -94.0838 -179.948 -38.806 -179.947 -417.257 GPRESSURE: 2010400 75.3827 3.49055 -9.55622 25.2704 -64.0383 -137.931 -21.8882 -137.384 -391.184 PRESSAVG: 2010400 18.8487 -44.8289 -6.2033 -44.8289 36.8411 4.23233 -6.20329 4.23246 -23.0797 GPRESSAVG: 2010400 19.7761 -46.4764 -2.52679 -42.7909 36.605 3.81489 -4.21874 3.59966 -23.9952 TIMING: 2010400 CPU: 5982.69, 0.00301173/step Wall: 5982.69, 0.00301173/step, 2.50108 hours remaining, 207.167969 MB of memory in use. ENERGY: 2010400 769.6611 2095.8889 1956.8070 111.3842 -205452.7431 17510.1435 0.0000 0.0000 34287.6061 -148721.2522 299.4422 -183008.8583 -148629.1238 300.6671 -158.4545 -126.6132 559686.1350 10.8700 10.7953 PRESSURE: 2010600 212.11 -23.2855 48.7509 -23.2858 -149.954 -76.8715 48.7505 -76.8707 109.801 GPRESSURE: 2010600 242.641 -38.6709 50.7772 111.953 -124.015 -87.0535 -72.3933 -19.0093 149.355 PRESSAVG: 2010600 22.683 -66.721 -26.3605 -66.721 -44.2761 -1.83159 -26.3605 -1.83159 4.92404 GPRESSAVG: 2010600 22.1361 -65.9555 -28.7827 -67.0687 -44.2217 -1.87065 -27.136 -2.22862 5.5936 TIMING: 2010600 CPU: 5983.29, 0.00301232/step Wall: 5983.29, 0.00301232/step, 2.5014 hours remaining, 207.425781 MB of memory in use. ENERGY: 2010600 760.6644 2086.9155 1955.2327 113.0788 -205787.0469 17769.2063 0.0000 0.0000 34483.0619 -148618.8872 301.1492 -183101.9492 -148527.6323 300.9352 57.3189 89.3266 557597.1474 -5.5564 -5.4973 PRESSURE: 2010800 172.586 -117.644 -235.507 -117.644 203.675 -38.5758 -235.507 -38.5747 -43.3011 GPRESSURE: 2010800 226.007 -142.756 -172.044 -134.473 217.567 -21.0693 -308.794 -60.4437 -19.3175 PRESSAVG: 2010800 -19.6725 -1.17173 5.18152 -1.17177 -4.79244 48.5838 5.18164 48.5837 43.3781 GPRESSAVG: 2010800 -20.6257 -3.11522 7.10487 -1.73935 -4.88424 48.6538 4.64679 48.3692 44.0405 TIMING: 2010800 CPU: 5983.89, 0.00299777/step Wall: 5983.89, 0.00299777/step, 2.48915 hours remaining, 207.425781 MB of memory in use. ENERGY: 2010800 720.4119 2096.6650 1957.6940 125.2821 -206089.0829 17906.1323 0.0000 0.0000 34440.7875 -148842.1100 300.7800 -183282.8975 -148746.3065 300.8073 110.9865 141.4189 556707.4251 6.3044 6.1769 PRESSURE: 2011000 -86.7465 7.05539 2.68143 7.05675 -59.587 -42.6518 2.68087 -42.6526 -58.729 GPRESSURE: 2011000 -118.098 78.6278 -42.3349 -20.9032 1.21389 -57.1736 -44.9457 21.4293 6.69519 PRESSAVG: 2011000 25.5674 -5.07064 15.8758 -5.07076 26.0462 -19.3815 15.8757 -19.3816 -53.2815 GPRESSAVG: 2011000 25.9263 -4.34678 15.883 -5.04086 26.0235 -19.5317 15.206 -19.0361 -53.2259 TIMING: 2011000 CPU: 5984.49, 0.00299292/step Wall: 5984.49, 0.00299292/step, 2.48496 hours remaining, 207.425781 MB of memory in use. ENERGY: 2011000 771.9189 2084.3310 1926.3755 122.3496 -205346.8452 17546.2351 0.0000 0.0000 34435.3326 -148460.3024 300.7323 -182895.6350 -148362.4724 300.3516 -68.3542 -36.7295 558489.9526 -0.5560 -0.4254 PRESSURE: 2011200 -199.669 11.1368 -149.788 11.1372 35.6818 -48.7757 -149.788 -48.7752 -124.587 GPRESSURE: 2011200 -164.233 122.196 -223.428 -26.3085 89.3251 -60.2925 -57.23 -57.9777 -99.3887 PRESSAVG: 2011200 8.32641 28.3687 -59.9036 28.3687 -51.0056 8.261 -59.9035 8.26103 38.9221 GPRESSAVG: 2011200 8.20418 28.6132 -61.9356 29.001 -50.9592 6.92052 -58.3055 9.51492 39.3718 TIMING: 2011200 CPU: 5985.08, 0.00298404/step Wall: 5985.08, 0.00298404/step, 2.47742 hours remaining, 207.425781 MB of memory in use. ENERGY: 2011200 771.3204 2076.1426 1948.6838 113.2370 -205235.0821 17441.1102 0.0000 0.0000 34398.7444 -148485.8437 300.4128 -182884.5880 -148385.7954 301.1152 -96.1914 -58.0989 558070.6228 -1.2524 -1.1278 PRESSURE: 2011400 258.369 -108.018 -2.96753 -108.019 30.8814 0.306245 -2.96791 0.303918 -73.7278 GPRESSURE: 2011400 302.057 -107.726 -13.6944 -104.674 76.4622 97.7387 15.3996 -26.789 -72.1187 PRESSAVG: 2011400 -15.7665 -17.8255 -46.5179 -17.8255 -64.0272 -49.724 -46.5178 -49.724 68.1375 GPRESSAVG: 2011400 -15.725 -17.3915 -46.4729 -17.6088 -63.846 -51.1364 -46.7299 -49.8984 67.5655 TIMING: 2011400 CPU: 5985.68, 0.00297389/step Wall: 5985.68, 0.00297389/step, 2.46882 hours remaining, 207.425781 MB of memory in use. ENERGY: 2011400 770.1836 2149.0827 1944.2658 128.9985 -205824.5825 17810.7450 0.0000 0.0000 34516.3423 -148504.9646 301.4398 -183021.3069 -148414.1618 300.9580 71.8410 102.1336 558082.3446 -3.8854 -4.0019 PRESSURE: 2011600 -141.768 -131.935 130.661 -131.936 214.3 -95.9153 130.661 -95.914 105.463 GPRESSURE: 2011600 -119.449 -115.22 55.025 -128.905 215.692 -142.913 128.888 -107.287 175.458 PRESSAVG: 2011600 26.0684 11.658 -3.21006 11.6581 16.5131 -29.5569 -3.21007 -29.557 -6.0616 GPRESSAVG: 2011600 26.6374 11.9483 -1.82105 10.9374 16.177 -26.3054 -4.16581 -31.0807 -6.66466 TIMING: 2011600 CPU: 5986.27, 0.00297492/step Wall: 5986.27, 0.00297492/step, 2.46952 hours remaining, 207.425781 MB of memory in use. ENERGY: 2011600 782.0825 2125.1465 1950.2842 117.9366 -206001.2432 17860.7091 0.0000 0.0000 34530.7383 -148634.3460 301.5655 -183165.0844 -148537.2603 300.9902 59.3319 90.5670 557495.9394 12.1733 12.0499 PRESSURE: 2011800 -34.3987 -30.3243 -73.0515 -30.323 49.284 -184.183 -73.052 -184.182 230.017 GPRESSURE: 2011800 27.002 49.0679 -128.737 -47.6137 82.5999 -176.999 -64.7571 -226.61 235.689 PRESSAVG: 2011800 -62.2154 -12.1297 13.7633 -12.1298 45.6247 -18.3723 13.7633 -18.3724 17.6063 GPRESSAVG: 2011800 -63.6129 -10.7282 11.6999 -13.4524 45.973 -20.7351 11.83 -16.0132 18.3902 TIMING: 2011800 CPU: 5986.87, 0.00297409/step Wall: 5986.87, 0.00297409/step, 2.46866 hours remaining, 207.425781 MB of memory in use. ENERGY: 2011800 744.9268 2113.4871 1958.4089 121.6398 -205781.6664 17929.3502 0.0000 0.0000 34288.2072 -148625.6464 299.4474 -182913.8537 -148532.4764 300.1289 81.6342 115.0970 558102.5397 0.3385 0.2501 PRESSURE: 2012000 147.452 177.281 -201.026 177.281 24.5468 29.1045 -201.027 29.1029 -156.469 GPRESSURE: 2012000 180.392 77.4777 -174.406 138.681 59.5239 -4.39098 -302.367 26.2217 -144.58 PRESSAVG: 2012000 35.1884 -4.54754 -69.2003 -4.54759 68.1863 -21.3947 -69.2003 -21.3947 -57.3705 GPRESSAVG: 2012000 34.6979 -6.88474 -67.9521 -5.94448 67.8553 -18.9332 -67.5546 -25.8642 -57.2945 TIMING: 2012000 CPU: 5987.47, 0.00299104/step Wall: 5987.47, 0.00299104/step, 2.48257 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: 2012000 797.0521 2043.3358 1949.8846 115.0014 -205618.5485 17705.5822 0.0000 0.0000 34182.7143 -148824.9782 298.5261 -183007.6924 -148732.2344 300.7156 5.1767 31.7789 558984.9667 15.3347 15.0862 PRESSURE: 2012200 59.5213 -44.8025 50.4246 -44.8026 -81.3074 -135.289 50.425 -135.289 147.446 GPRESSURE: 2012200 54.7758 -46.571 8.32811 -28.4565 -11.1216 -73.2618 88.0797 -57.7145 189.564 PRESSAVG: 2012200 -20.9608 -25.6406 -44.0372 -25.6405 14.6552 -21.4262 -44.0372 -21.4261 23.9434 GPRESSAVG: 2012200 -20.1796 -25.4541 -45.1255 -23.295 14.1168 -24.4093 -43.5276 -16.8679 23.7182 TIMING: 2012200 CPU: 5988.06, 0.00298446/step Wall: 5988.06, 0.00298446/step, 2.47693 hours remaining, 207.425781 MB of memory in use. ENERGY: 2012200 723.3746 2066.3802 1953.3378 110.3383 -205556.5042 17717.3975 0.0000 0.0000 34239.6340 -148746.0417 299.0232 -182985.6757 -148648.5464 300.5056 41.8868 77.7394 557703.9473 5.8792 5.8851 LDB: ============= START OF LOAD BALANCING ============== 5991.49 LDB: ============== END OF LOAD BALANCING =============== 5991.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5991.49 LDB: ============= START OF LOAD BALANCING ============== 5991.79 LDB: Largest compute 4821 load 0.026820 is 22.7% of average load 0.118101 LDB: Average compute 0.001723 is 1.5% of average load 0.118101 LDB: TIME 5991.8 LOAD: AVG 0.118101 MAX 0.198644 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.359 MB LDB: TIME 5991.8 LOAD: AVG 0.118101 MAX 0.198644 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: TIME 5991.8 LOAD: AVG 0.118101 MAX 0.198644 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 5991.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 5991.8 PRESSURE: 2012400 -10.4393 -54.568 41.8784 -54.5674 73.9742 -212.257 41.8781 -212.259 -67.986 GPRESSURE: 2012400 -30.3318 -74.8563 30.6431 -74.7829 150.15 -207.149 22.6948 -189.225 -22.6957 PRESSAVG: 2012400 12.3004 11.1246 -48.6001 11.1246 3.56184 56.3801 -48.6001 56.38 -44.4304 GPRESSAVG: 2012400 12.3302 11.0253 -46.6267 11.1019 4.72465 58.7247 -50.8852 54.3891 -45.074 TIMING: 2012400 CPU: 5988.67, 0.00304143/step Wall: 5988.67, 0.00304143/step, 2.52405 hours remaining, 206.128906 MB of memory in use. ENERGY: 2012400 782.4175 2119.2589 1921.3868 112.2047 -205756.8708 17742.1021 0.0000 0.0000 34387.5788 -148691.9220 300.3153 -183079.5008 -148600.1780 300.1757 -1.4837 32.3741 556818.8316 -9.5227 -9.3397 PRESSURE: 2012600 34.2165 64.7805 85.6535 64.7805 194.398 -48.9845 85.6526 -48.9842 120.432 GPRESSURE: 2012600 140.157 155.688 113.158 -44.5946 236.87 13.1433 -73.0162 43.2692 49.6423 PRESSAVG: 2012600 -22.6736 -40.3508 -7.39249 -40.3508 30.0813 36.7534 -7.39261 36.7534 6.26721 GPRESSAVG: 2012600 -22.3227 -41.2805 -8.84705 -41.099 29.3585 37.1414 -3.39463 37.3489 6.12469 TIMING: 2012600 CPU: 5989.27, 0.00299076/step Wall: 5989.27, 0.00299076/step, 2.48183 hours remaining, 206.332031 MB of memory in use. ENERGY: 2012600 799.7982 2052.9002 1951.0607 111.5628 -205996.4030 17992.4788 0.0000 0.0000 34309.3802 -148779.2220 299.6324 -183088.6022 -148676.4687 300.6474 116.3489 142.2231 558674.4949 4.5583 4.3868 PRESSURE: 2012800 135.193 23.6732 2.10874 23.6742 139.459 83.8983 2.10766 83.8964 27.2993 GPRESSURE: 2012800 142.065 -105.079 -4.80105 40.2355 175.255 74.3683 -51.0437 73.3962 74.7391 PRESSAVG: 2012800 11.5999 14.8284 11.0215 14.8284 0.396234 48.4898 11.0215 48.4899 18.5288 GPRESSAVG: 2012800 12.0389 16.5314 11.771 14.0762 1.13626 49.5606 8.76328 46.6865 18.0812 TIMING: 2012800 CPU: 5989.87, 0.00299471/step Wall: 5989.87, 0.00299471/step, 2.48495 hours remaining, 206.332031 MB of memory in use. ENERGY: 2012800 741.9237 2087.1232 1945.3383 105.1889 -205747.3836 17818.5160 0.0000 0.0000 34219.4956 -148829.7979 298.8474 -183049.2936 -148737.9782 300.6273 100.6506 130.6863 557610.1859 10.1750 10.4188 PRESSURE: 2013000 -55.8658 82.8567 -159.709 82.8571 210.59 -16.2808 -159.707 -16.28 -58.4295 GPRESSURE: 2013000 14.0153 45.0537 -194.354 77.61 227.63 -139.088 -163.15 -21.0056 -44.0605 PRESSAVG: 2013000 -43.2355 -3.06424 4.43273 -3.06416 88.907 -30.4394 4.43262 -30.4395 -52.2811 GPRESSAVG: 2013000 -42.813 -4.1841 5.08273 -2.0291 87.9873 -32.3077 5.85028 -30.2323 -51.5805 TIMING: 2013000 CPU: 5990.47, 0.00301742/step Wall: 5990.47, 0.00301742/step, 2.50362 hours remaining, 206.332031 MB of memory in use. ENERGY: 2013000 743.7202 2050.3714 1948.6487 122.0602 -206183.4360 17931.0251 0.0000 0.0000 34596.7038 -148790.9065 302.1416 -183387.6104 -148685.9662 300.5717 32.0982 65.8617 558761.9060 -2.2032 -2.1354 PRESSURE: 2013200 -233.185 93.1486 7.68138 93.1489 -233.667 39.5564 7.68192 39.557 -180.493 GPRESSURE: 2013200 -214.539 36.0349 -41.1038 186.12 -176.829 -16.8695 82.7061 84.8772 -165.207 PRESSAVG: 2013200 -6.95122 33.2417 0.337362 33.2417 38.2823 -48.8974 0.337272 -48.8974 4.44668 GPRESSAVG: 2013200 -6.49877 34.2046 0.0488116 32.6817 38.81 -47.8072 1.26458 -47.4114 2.87479 TIMING: 2013200 CPU: 5991.07, 0.00299674/step Wall: 5991.07, 0.00299674/step, 2.4863 hours remaining, 206.332031 MB of memory in use. ENERGY: 2013200 741.6487 2048.2062 1911.7233 107.0905 -205544.6770 17597.3966 0.0000 0.0000 34374.1452 -148764.4664 300.1980 -183138.6116 -148675.0021 300.7606 -215.7817 -185.5249 558741.9467 11.9259 11.7287 PRESSURE: 2013400 -55.9872 10.5537 -59.8364 10.5541 -115.276 -51.9871 -59.8372 -51.9868 -16.9307 GPRESSURE: 2013400 -59.2982 -31.4358 -45.3326 32.5309 -45.8812 -25.9402 -66.5496 -76.819 7.23335 PRESSAVG: 2013400 -41.0456 -12.746 -26.0941 -12.7459 74.081 -12.0734 -26.0942 -12.0734 -3.91435 GPRESSAVG: 2013400 -42.8688 -12.7034 -26.2756 -12.1242 74.0108 -12.6811 -25.7607 -11.6649 -2.2462 TIMING: 2013400 CPU: 5991.67, 0.00299722/step Wall: 5991.67, 0.00299722/step, 2.48653 hours remaining, 206.332031 MB of memory in use. ENERGY: 2013400 779.9650 2117.6567 1921.5146 113.3873 -205527.4869 17621.9503 0.0000 0.0000 34065.4666 -148907.5465 297.5022 -182973.0130 -148811.3824 300.3741 -62.7313 -32.6487 558036.8475 9.7070 9.6319 PRESSURE: 2013600 -101.669 -67.5423 -60.4522 -67.5433 -150.768 71.0861 -60.4518 71.0865 300.421 GPRESSURE: 2013600 -95.7457 -38.6234 -80.0663 -5.15127 -103.271 86.5589 -51.625 18.189 332.721 PRESSAVG: 2013600 -5.82329 -42.1977 7.08369 -42.1978 -6.0193 51.0668 7.08363 51.0667 26.3357 GPRESSAVG: 2013600 -5.61582 -41.4576 6.92293 -42.8652 -6.54558 52.7534 5.57501 48.5965 26.5661 TIMING: 2013600 CPU: 5992.27, 0.00301248/step Wall: 5992.27, 0.00301248/step, 2.49902 hours remaining, 206.332031 MB of memory in use. ENERGY: 2013600 752.7274 2112.1170 1941.9659 116.2830 -205786.1978 17688.1070 0.0000 0.0000 34112.6845 -149062.3131 297.9146 -183174.9976 -148973.3978 299.2844 15.9949 44.5681 557629.8455 4.8310 4.8016 PRESSURE: 2013800 -3.08195 40.3837 131.891 40.3835 20.4644 23.77 131.892 23.7701 41.7343 GPRESSURE: 2013800 52.1194 34.3294 117.256 92.8921 -23.1212 -12.8287 122.945 38.7103 102.524 PRESSAVG: 2013800 -30.1377 -36.0196 -37.2722 -36.0197 13.7339 -17.0104 -37.2723 -17.0106 29.8491 GPRESSAVG: 2013800 -28.3424 -36.5268 -36.7709 -34.926 13.0966 -17.9347 -36.6469 -15.8095 28.3452 TIMING: 2013800 CPU: 5992.88, 0.00303264/step Wall: 5992.88, 0.00303264/step, 2.51558 hours remaining, 206.332031 MB of memory in use. ENERGY: 2013800 745.2002 2016.0541 1961.6466 111.3354 -205976.5652 17837.0741 0.0000 0.0000 34129.4821 -149175.7728 298.0613 -183305.2548 -149085.4992 299.8090 19.7056 43.8409 558109.0706 4.4818 4.3665 PRESSURE: 2014000 142.46 123.84 -9.04618 123.842 -46.2994 119.723 -9.04555 119.723 255.349 GPRESSURE: 2014000 178.224 -40.2977 66.2762 71.9277 -17.3364 99.8133 40.0797 138.219 298.663 PRESSAVG: 2014000 -33.74 -18.5119 22.9709 -18.5119 -22.2275 -12.524 22.971 -12.5241 54.8307 GPRESSAVG: 2014000 -34.3775 -17.7055 23.0304 -18.9378 -21.2707 -13.3807 22.0284 -12.9018 54.1759 TIMING: 2014000 CPU: 5993.48, 0.00299011/step Wall: 5993.48, 0.00299011/step, 2.48013 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: 2014000 742.5383 2055.6380 1924.1248 113.7489 -206199.2450 18043.3167 0.0000 0.0000 34237.8839 -149081.9945 299.0080 -183319.8784 -148982.3425 300.0268 117.1699 153.1837 557280.7097 -0.3789 -0.4908 PRESSURE: 2014200 264.934 -30.5635 22.1174 -30.5644 379.986 14.6947 22.1176 14.696 -41.7331 GPRESSURE: 2014200 232.699 -23.6075 21.8978 -73.9199 440.786 -9.4355 70.0077 36.9505 35.673 PRESSAVG: 2014200 -60.9442 16.2392 -59.6213 16.2392 49.1415 38.2838 -59.6212 38.2838 -15.1241 GPRESSAVG: 2014200 -61.725 13.5056 -59.248 16.7487 48.5728 38.4927 -59.7506 38.3117 -14.1753 TIMING: 2014200 CPU: 5994.07, 0.00295683/step Wall: 5994.07, 0.00295683/step, 2.45236 hours remaining, 206.332031 MB of memory in use. ENERGY: 2014200 746.2416 2140.7425 1943.2863 114.1142 -206574.8311 18247.2807 0.0000 0.0000 34335.7209 -149047.4449 299.8624 -183383.1659 -148951.9000 299.7080 201.0623 236.3860 558112.2675 -8.9756 -9.1092 PRESSURE: 2014400 -188.951 -44.7346 88.5058 -44.7364 246.11 167.458 88.5048 167.457 -16.8449 GPRESSURE: 2014400 -156.838 -43.0135 204.695 -18.8503 289.476 209.77 -8.51798 144.228 -12.0371 PRESSAVG: 2014400 -50.2254 -10.6309 -77.4781 -10.6309 104.034 73.5331 -77.4781 73.5333 -30.3975 GPRESSAVG: 2014400 -49.6549 -8.78661 -76.1028 -9.67039 104.384 74.0277 -77.8751 72.203 -31.0946 TIMING: 2014400 CPU: 5994.67, 0.00301673/step Wall: 5994.67, 0.00301673/step, 2.50188 hours remaining, 206.332031 MB of memory in use. ENERGY: 2014400 729.0748 2083.4808 1942.1170 121.8789 -205995.1000 17847.8095 0.0000 0.0000 34169.5539 -149101.1852 298.4112 -183270.7390 -149007.8861 300.0125 13.4380 40.2006 558552.0574 7.8036 7.8780 PRESSURE: 2014600 -59.0683 41.2662 67.4515 41.2666 -199.896 -59.5894 67.4495 -59.5894 -431.758 GPRESSURE: 2014600 -9.14139 -8.56806 64.5239 179.186 -240.128 31.3546 49.3707 -113.921 -353.926 PRESSAVG: 2014600 -59.0677 32.6523 -5.90009 32.6524 92.4833 21.6836 -5.90012 21.6836 -28.6147 GPRESSAVG: 2014600 -59.3727 32.6882 -5.92974 31.9621 91.4231 23.2786 -6.42934 21.7703 -27.849 TIMING: 2014600 CPU: 5995.28, 0.00301811/step Wall: 5995.28, 0.00301811/step, 2.50285 hours remaining, 206.332031 MB of memory in use. ENERGY: 2014600 737.6242 2119.9913 1927.6700 104.3984 -205987.6035 17453.5653 0.0000 0.0000 34365.7319 -149278.6223 300.1245 -183644.3543 -149174.0111 300.1949 -230.2409 -201.0653 558518.9919 1.6003 1.4005 PRESSURE: 2014800 -274.122 -78.6974 108.521 -78.697 73.6214 52.842 108.521 52.8442 -179.84 GPRESSURE: 2014800 -233.692 -46.2662 124.607 -43.6504 84.4918 52.6219 47.9596 39.2442 -135.263 PRESSAVG: 2014800 -23.877 -28.3254 55.7628 -28.3255 70.1353 2.37021 55.7628 2.37025 -0.687876 GPRESSAVG: 2014800 -24.0041 -27.5082 53.6446 -28.1288 69.3689 0.418563 55.8612 5.07164 0.580972 TIMING: 2014800 CPU: 5995.88, 0.00299362/step Wall: 5995.88, 0.00299361/step, 2.48237 hours remaining, 206.332031 MB of memory in use. ENERGY: 2014800 690.3306 2088.1898 1955.0607 125.6826 -206216.3063 17705.5217 0.0000 0.0000 34466.5945 -149184.9263 301.0053 -183651.5207 -149088.2095 299.1317 -126.7804 -94.8212 556878.3294 15.1901 15.3152 PRESSURE: 2015000 -227.007 -15.0432 -103.858 -15.0422 -140.117 55.2285 -103.858 55.2277 -229.967 GPRESSURE: 2015000 -216.438 54.9437 -47.1424 -84.7952 -149.728 105.286 -188.297 -71.0572 -150.137 PRESSAVG: 2015000 1.32313 -18.9683 8.47264 -18.9684 37.3012 -0.892289 8.47258 -0.892328 -38.2236 GPRESSAVG: 2015000 2.43328 -21.5893 10.1188 -18.7319 37.8094 -0.246238 10.0734 -1.46225 -40.0134 TIMING: 2015000 CPU: 5996.48, 0.00303707/step Wall: 5996.48, 0.00303707/step, 2.51824 hours remaining, 206.332031 MB of memory in use. ENERGY: 2015000 728.4017 2139.6496 1923.4778 122.4415 -205925.6444 17549.6166 0.0000 0.0000 34330.8633 -149131.1939 299.8200 -183462.0572 -149041.7228 299.9007 -199.0303 -172.1010 557759.6287 0.1336 0.0764 PRESSURE: 2015200 -89.0412 -40.8014 1.81339 -40.8027 -145.81 10.2014 1.81322 10.2001 -154.642 GPRESSURE: 2015200 -63.7846 -26.7141 16.3566 -49.0027 -48.789 -68.3824 49.04 80.556 -174.817 PRESSAVG: 2015200 -73.2114 -49.9967 -9.536 -49.9968 21.3946 24.5748 -9.53605 24.5749 37.5114 GPRESSAVG: 2015200 -74.3082 -46.7711 -8.67696 -51.018 20.5901 22.5071 -10.2538 23.1746 39.0934 TIMING: 2015200 CPU: 5997.08, 0.00300185/step Wall: 5997.08, 0.00300185/step, 2.48887 hours remaining, 206.332031 MB of memory in use. ENERGY: 2015200 748.7974 2098.8453 1925.2863 122.7446 -206003.5862 17712.4332 0.0000 0.0000 34024.4829 -149370.9966 297.1443 -183395.4795 -149271.2096 299.3692 -129.8312 -95.7968 557436.1658 -4.7685 -4.8749 PRESSURE: 2015400 -220.647 -114.168 -14.2289 -114.168 -24.582 -200.398 -14.2292 -200.398 20.9501 GPRESSURE: 2015400 -181.317 -24.8993 -81.5419 -149.618 26.5179 -284.599 33.785 -99.4205 41.0026 PRESSAVG: 2015400 -45.0962 -2.81876 29.1074 -2.81879 -26.9116 -57.6875 29.1075 -57.6874 73.3238 GPRESSAVG: 2015400 -43.4224 -2.58275 26.4576 -4.47623 -27.5538 -56.6856 29.6223 -56.2356 72.2868 TIMING: 2015400 CPU: 5997.68, 0.00299736/step Wall: 5997.68, 0.00299736/step, 2.48498 hours remaining, 206.332031 MB of memory in use. ENERGY: 2015400 777.4295 2039.6334 1909.3010 119.9478 -206635.6203 17878.2350 0.0000 0.0000 34442.9572 -149468.1163 300.7989 -183911.0735 -149372.6862 298.7898 -74.7595 -37.9320 556396.0871 0.4387 0.4368 PRESSURE: 2015600 -118.2 -14.2386 87.1068 -14.2393 -33.9442 -51.8831 87.107 -51.8842 -240.531 GPRESSURE: 2015600 -125.101 -1.72632 81.5339 37.3298 52.2711 0.235416 168.467 -35.7973 -224.777 PRESSAVG: 2015600 8.54356 -13.6641 -6.9752 -13.6641 17.6693 -45.8925 -6.97514 -45.8927 2.2694 GPRESSAVG: 2015600 6.95466 -15.934 -6.75298 -9.65749 19.843 -45.1049 -6.96675 -46.3265 1.42224 TIMING: 2015600 CPU: 5998.28, 0.00298589/step Wall: 5998.28, 0.00298589/step, 2.47531 hours remaining, 206.332031 MB of memory in use. ENERGY: 2015600 755.2545 2079.0574 1916.4953 124.6660 -206194.6014 17650.6366 0.0000 0.0000 34249.8104 -149418.6810 299.1121 -183668.4915 -149323.8340 299.2779 -130.8919 -99.2024 557659.8775 9.4941 9.4066 PRESSURE: 2015800 -19.308 -106.571 -16.8112 -106.571 57.5859 189.964 -16.812 189.964 167.408 GPRESSURE: 2015800 -33.7585 -174.653 -14.3957 -71.2903 119.813 168.694 17.3827 180.511 216.311 PRESSAVG: 2015800 13.5289 12.592 -69.6108 12.5919 -18.5845 28.9617 -69.6109 28.9617 20.8245 GPRESSAVG: 2015800 13.4302 11.6373 -68.1134 10.0675 -18.6568 28.9134 -70.4683 29.4908 21.6983 TIMING: 2015800 CPU: 5998.88, 0.00301139/step Wall: 5998.88, 0.00301139/step, 2.49628 hours remaining, 206.332031 MB of memory in use. ENERGY: 2015800 720.5498 2123.4146 1915.8285 120.7575 -206080.0875 17836.0294 0.0000 0.0000 34123.4413 -149240.0663 298.0085 -183363.5075 -149146.6123 298.3594 68.5618 100.7885 557606.6607 5.2563 5.4906 PRESSURE: 2016000 -99.4315 -80.728 -78.7754 -80.7282 292.993 -10.8665 -78.7751 -10.8666 -84.3543 GPRESSURE: 2016000 -30.4816 -63.5142 -54.1716 -91.5629 333.964 -5.05246 -52.4806 51.1511 -108.603 PRESSAVG: 2016000 -2.7437 14.916 -0.68941 14.9159 -60.1457 35.384 -0.689378 35.384 31.264 GPRESSAVG: 2016000 -1.56644 15.7908 -0.00725491 15.1948 -60.5406 35.3358 -2.38427 37.1152 30.6978 TIMING: 2016000 CPU: 5999.48, 0.00299237/step Wall: 5999.48, 0.00299237/step, 2.48034 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: 2016000 731.5024 2119.4207 1946.1784 110.6618 -205996.4511 17789.0732 0.0000 0.0000 34178.9943 -149120.6204 298.4937 -183299.6147 -149033.4570 298.6319 36.4024 64.9598 558940.6451 -10.5418 -10.4697 PRESSURE: 2016200 -133.585 -103.689 6.77265 -103.689 -39.6458 -27.9042 6.77259 -27.905 -333.671 GPRESSURE: 2016200 -123.427 -62.0591 76.8053 -51.2155 17.7976 -69.535 38.7001 38.9869 -298.338 PRESSAVG: 2016200 -20.4362 11.3303 13.1806 11.3303 5.90825 -28.9852 13.1806 -28.9851 8.60763 GPRESSAVG: 2016200 -21.0753 12.653 13.655 11.3226 5.54998 -28.5257 14.8637 -29.1335 9.10068 TIMING: 2016200 CPU: 6000.08, 0.00299148/step Wall: 6000.08, 0.00299148/step, 2.47944 hours remaining, 206.332031 MB of memory in use. ENERGY: 2016200 762.8318 2124.5721 1948.4300 105.6062 -205596.6978 17460.2779 0.0000 0.0000 34149.7380 -149045.2417 298.2382 -183194.9797 -148947.7634 299.2520 -168.9673 -134.6557 560055.2908 -1.9734 -2.1415 LDB: ============= START OF LOAD BALANCING ============== 6003.51 LDB: ============== END OF LOAD BALANCING =============== 6003.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6003.51 LDB: ============= START OF LOAD BALANCING ============== 6003.81 LDB: Largest compute 4821 load 0.028158 is 23.9% of average load 0.117976 LDB: Average compute 0.001723 is 1.5% of average load 0.117976 LDB: TIME 6003.81 LOAD: AVG 0.117976 MAX 0.199861 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 6003.81 LOAD: AVG 0.117976 MAX 0.199861 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: TIME 6003.81 LOAD: AVG 0.117976 MAX 0.199861 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 6003.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6003.82 PRESSURE: 2016400 -96.0178 65.8871 91.0833 65.8887 33.4844 89.2972 91.0834 89.2975 -24.5599 GPRESSURE: 2016400 -46.6075 38.8988 11.1571 67.795 41.6764 122.458 83.1463 33.2617 -0.660476 PRESSAVG: 2016400 9.23637 -3.50662 21.0387 -3.50672 2.50315 -74.3374 21.0387 -74.3374 33.7462 GPRESSAVG: 2016400 9.52357 -4.64133 18.73 -5.19017 3.64639 -74.9302 21.1949 -74.9448 32.6368 TIMING: 2016400 CPU: 6000.69, 0.00304742/step Wall: 6000.69, 0.00304742/step, 2.52563 hours remaining, 205.429688 MB of memory in use. ENERGY: 2016400 726.1644 2099.9569 1945.0552 114.4235 -205787.0649 17630.7009 0.0000 0.0000 34287.8220 -148982.9421 299.4441 -183270.7641 -148881.7028 299.3679 -29.0311 -1.8638 558035.4967 15.1619 15.2689 PRESSURE: 2016600 -75.1165 6.75823 93.1532 6.75802 111.469 118.751 93.1517 118.751 -46.8257 GPRESSURE: 2016600 -67.4024 8.74799 77.1874 10.5797 183.041 45.4592 187.891 71.5929 -28.647 PRESSAVG: 2016600 0.112739 29.7185 71.7346 29.7185 5.40995 -9.77513 71.7346 -9.77513 25.4303 GPRESSAVG: 2016600 -0.11695 29.8422 73.7542 27.486 4.91649 -9.5898 70.2482 -10.6782 26.1958 TIMING: 2016600 CPU: 6001.29, 0.00299291/step Wall: 6001.29, 0.00299291/step, 2.48029 hours remaining, 205.628906 MB of memory in use. ENERGY: 2016600 766.4776 2058.1429 1978.2169 106.7491 -206145.4923 17816.8859 0.0000 0.0000 34316.6273 -149102.3927 299.6956 -183419.0200 -149008.4183 299.5545 -3.4912 28.9970 556310.8920 10.3177 10.3318 PRESSURE: 2016800 -189.509 -34.0667 -24.4206 -34.067 -146.527 121.289 -24.4212 121.289 7.96471 GPRESSURE: 2016800 -190.247 -29.4172 52.2925 -50.1714 -102.169 46.7004 -26.734 182.428 57.794 PRESSAVG: 2016800 -40.5722 -17.273 42.1027 -17.273 11.3993 24.9436 42.1027 24.9437 35.7168 GPRESSAVG: 2016800 -41.6019 -16.6506 42.4406 -13.6211 11.6698 26.5663 43.4182 21.6986 36.2288 TIMING: 2016800 CPU: 6001.89, 0.00299198/step Wall: 6001.89, 0.00299199/step, 2.47936 hours remaining, 205.628906 MB of memory in use. ENERGY: 2016800 756.0385 2057.4879 1927.5139 116.3684 -205916.5606 17603.1520 0.0000 0.0000 34185.6032 -149270.3967 298.5514 -183455.9999 -149189.3211 299.2002 -109.3569 -78.2074 558945.6927 2.1813 2.0989 PRESSURE: 2017000 160.585 -10.1359 66.3466 -10.136 -180.794 103.753 66.3449 103.752 -115.165 GPRESSURE: 2017000 193.775 -4.61129 77.1357 30.6716 -135.37 107.71 36.6317 74.2085 -100.987 PRESSAVG: 2017000 -5.89338 2.6128 -2.66429 2.6128 -95.9829 -29.9571 -2.6643 -29.9572 105.594 GPRESSAVG: 2017000 -3.64497 0.734225 -4.51233 1.56307 -96.8163 -31.6386 -0.91032 -26.2412 105.012 TIMING: 2017000 CPU: 6002.48, 0.00298273/step Wall: 6002.48, 0.00298273/step, 2.47153 hours remaining, 205.628906 MB of memory in use. ENERGY: 2017000 740.4728 2036.9398 1906.5637 118.0376 -205957.1653 17818.5995 0.0000 0.0000 34045.7506 -149290.8013 297.3300 -183336.5519 -149196.8888 299.0493 -45.1249 -14.1940 558842.5829 1.2392 1.5168 PRESSURE: 2017200 -110.898 73.7297 -41.9429 73.7296 -83.0125 -41.3935 -41.9435 -41.3945 150.853 GPRESSURE: 2017200 -56.449 -35.1939 -90.3846 216.864 -120.907 -104.807 6.33558 -89.2569 224.56 PRESSAVG: 2017200 9.2906 12.8439 -6.86213 12.844 -43.2621 -9.07977 -6.86217 -9.07982 24.1251 GPRESSAVG: 2017200 7.96045 13.6279 -4.22275 12.0317 -42.6246 -7.78512 -7.99605 -12.3774 24.1748 TIMING: 2017200 CPU: 6003.08, 0.00299983/step Wall: 6003.08, 0.00299983/step, 2.48552 hours remaining, 205.628906 MB of memory in use. ENERGY: 2017200 713.5507 2034.8292 1922.7925 111.5431 -205889.9058 17597.6687 0.0000 0.0000 34204.2336 -149305.2880 298.7141 -183509.5217 -149206.7575 298.4683 -14.3523 15.7350 556918.2091 -3.2821 -3.4964 PRESSURE: 2017400 -212.669 -122.524 87.2112 -122.522 76.1397 -189.011 87.2118 -189.012 17.72 GPRESSURE: 2017400 -103.884 -115.484 70.1632 -101.068 67.6464 -216.66 149.66 -148.772 4.99221 PRESSAVG: 2017400 32.7517 8.5333 -8.89829 8.53328 -90.7367 -14.946 -8.89835 -14.946 33.5016 GPRESSAVG: 2017400 34.3489 10.5634 -8.1152 9.14221 -91.6426 -16.7042 -9.69601 -12.9555 33.0288 TIMING: 2017400 CPU: 6003.68, 0.00298153/step Wall: 6003.68, 0.00298153/step, 2.4702 hours remaining, 205.628906 MB of memory in use. ENERGY: 2017400 750.1030 2069.3596 1915.4101 102.0379 -206172.2255 17729.0998 0.0000 0.0000 34410.6246 -149195.5905 300.5165 -183606.2151 -149105.5745 299.0596 -39.6030 -10.4152 557483.7128 -8.1611 -8.0883 PRESSURE: 2017600 -77.5454 -39.7037 -159.368 -39.7034 175.678 -68.7161 -159.37 -68.7167 16.8983 GPRESSURE: 2017600 -36.1201 -44.6743 -194.768 3.69258 195.122 -78.1142 -167.424 -100.813 42.8849 PRESSAVG: 2017600 -9.80669 -55.7411 -21.0715 -55.7411 4.15961 -1.34739 -21.0717 -1.34729 64.1981 GPRESSAVG: 2017600 -10.6804 -57.5508 -22.7265 -55.1447 4.72533 -0.776823 -19.7007 -1.72485 64.4823 TIMING: 2017600 CPU: 6004.28, 0.00299323/step Wall: 6004.28, 0.00299323/step, 2.47973 hours remaining, 205.628906 MB of memory in use. ENERGY: 2017600 762.3229 2005.9168 1945.7029 107.9883 -206197.9189 17800.5645 0.0000 0.0000 34355.8604 -149219.5632 300.0383 -183575.4235 -149117.1593 299.4321 38.3435 67.2957 556815.1818 19.5170 19.5091 PRESSURE: 2017800 66.3541 139.839 -122.144 139.84 145.813 69.141 -122.144 69.1402 -83.9548 GPRESSURE: 2017800 105.058 194.34 -99.9849 65.8079 181.867 -18.1129 -109.825 87.1371 -57.7391 PRESSAVG: 2017800 25.75 60.4779 -24.7149 60.4779 -20.3296 -18.1287 -24.715 -18.1287 4.38729 GPRESSAVG: 2017800 25.5158 59.9061 -23.6205 61.3976 -20.2285 -18.2606 -25.487 -18.9888 4.48794 TIMING: 2017800 CPU: 6004.88, 0.00300508/step Wall: 6004.88, 0.00300508/step, 2.48938 hours remaining, 205.628906 MB of memory in use. ENERGY: 2017800 763.6209 2041.3573 1908.8041 114.9219 -205799.0129 17524.3703 0.0000 0.0000 34225.7711 -149220.1672 298.9022 -183445.9383 -149120.7945 298.8275 42.7374 76.3953 555733.3074 3.2692 3.2584 PRESSURE: 2018000 -11.7885 22.8575 183.44 22.8571 -14.2546 34.3105 183.439 34.3105 121.817 GPRESSURE: 2018000 22.2427 -36.4188 292.244 20.9055 -17.7375 -16.1471 150.563 26.2453 185.244 PRESSAVG: 2018000 -23.5489 12.8667 13.5891 12.8667 -16.2242 9.99466 13.5892 9.99463 26.2485 GPRESSAVG: 2018000 -23.0343 13.5147 12.0054 11.1466 -15.5662 11.1841 14.253 11.0587 25.1567 TIMING: 2018000 CPU: 6005.48, 0.00300242/step Wall: 6005.48, 0.00300242/step, 2.48701 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: 2018000 729.2278 2028.2471 1909.6475 111.1113 -206142.6178 17739.3386 0.0000 0.0000 34251.3087 -149373.7367 299.1252 -183625.0454 -149276.3873 299.0615 31.9245 63.2496 556080.9761 -4.5082 -4.4813 PRESSURE: 2018200 -248.871 163.868 104.842 163.868 -254.477 -9.62406 104.842 -9.62377 -166.593 GPRESSURE: 2018200 -192.948 188.692 168.328 180.613 -216.992 -16.4736 58.4808 -23.5748 -167.265 PRESSAVG: 2018200 -32.7288 35.6779 -17.4248 35.6779 32.1722 50.965 -17.4248 50.965 -23.2894 GPRESSAVG: 2018200 -32.1689 36.1386 -15.6802 35.3211 31.628 48.6691 -18.9392 51.2218 -23.3725 TIMING: 2018200 CPU: 6006.08, 0.00299765/step Wall: 6006.08, 0.00299765/step, 2.48289 hours remaining, 205.628906 MB of memory in use. ENERGY: 2018200 747.5391 2129.2123 1937.5308 114.1128 -206125.6179 17584.5972 0.0000 0.0000 34238.0621 -149374.5635 299.0095 -183612.6257 -149279.6208 299.2532 -223.3135 -192.4014 557920.1646 -7.9487 -7.9711 PRESSURE: 2018400 -30.4678 78.6229 124.946 78.6235 -84.8638 51.5171 124.946 51.5153 -78.9351 GPRESSURE: 2018400 -48.7414 108.395 74.9957 53.6438 -29.0464 13.798 72.8095 62.672 -34.4041 PRESSAVG: 2018400 47.9906 48.4101 14.0657 48.4101 -16.7203 -7.46518 14.0657 -7.46524 -27.5608 GPRESSAVG: 2018400 48.0634 49.6855 14.1012 49.8926 -17.3365 -4.91761 12.9545 -9.71242 -27.2633 TIMING: 2018400 CPU: 6006.68, 0.00298896/step Wall: 6006.68, 0.00298896/step, 2.47552 hours remaining, 205.628906 MB of memory in use. ENERGY: 2018400 750.2366 2094.0098 1923.8092 128.3530 -206089.4281 17738.6132 0.0000 0.0000 33961.7181 -149492.6882 296.5961 -183454.4063 -149400.6349 298.4467 -64.7556 -37.3973 558083.1030 1.2365 1.1545 PRESSURE: 2018600 -222.393 -51.5464 194.299 -51.5461 -22.236 60.3149 194.298 60.3141 -106.397 GPRESSURE: 2018600 -180.719 -31.3409 207.009 -46.9571 2.48814 -2.99594 181.909 101.835 -86.4243 PRESSAVG: 2018600 -27.3082 17.3478 8.20289 17.3478 12.4646 20.1751 8.20289 20.1751 -23.0687 GPRESSAVG: 2018600 -27.1788 19.53 8.34193 12.4783 12.928 19.3768 8.55235 22.0392 -23.8279 TIMING: 2018600 CPU: 6007.27, 0.00299057/step Wall: 6007.27, 0.00299057/step, 2.47669 hours remaining, 205.628906 MB of memory in use. ENERGY: 2018600 746.8901 2038.4698 1931.6400 116.8577 -205824.3221 17542.8335 0.0000 0.0000 34137.1321 -149310.4989 298.1281 -183447.6310 -149212.3770 298.6482 -117.0086 -88.2185 558290.0204 -12.6374 -12.6929 PRESSURE: 2018800 -107.91 145.038 -57.33 145.039 -285.413 -193.682 -57.3296 -193.684 -203.623 GPRESSURE: 2018800 -85.4661 102.207 -198.762 182.282 -275.913 -263.003 -35.3762 -181.232 -124.062 PRESSAVG: 2018800 15.2685 -22.9706 40.6989 -22.9705 -24.9297 -41.1864 40.6988 -41.1863 42.5519 GPRESSAVG: 2018800 13.6972 -26.4721 39.2121 -20.638 -24.3951 -40.8395 42.8685 -41.7083 43.9467 TIMING: 2018800 CPU: 6007.87, 0.00295876/step Wall: 6007.87, 0.00295876/step, 2.45018 hours remaining, 205.628906 MB of memory in use. ENERGY: 2018800 756.5667 2087.6242 1933.3479 114.1756 -206018.9815 17628.6386 0.0000 0.0000 34148.5607 -149350.0679 298.2279 -183498.6285 -149257.1539 298.6085 -198.9818 -161.8138 559432.7277 10.9636 11.0829 PRESSURE: 2019000 -217.562 -52.3676 40.3818 -52.369 -222.734 90.9584 40.3815 90.9579 -90.2524 GPRESSURE: 2019000 -207.799 -24.6907 7.47076 -54.9363 -193.027 93.9433 60.3891 24.0723 -32.9279 PRESSAVG: 2019000 -8.49146 -7.68035 29.2512 -7.68051 -9 24.2667 29.2513 24.2667 -11.801 GPRESSAVG: 2019000 -7.80802 -9.21492 29.1128 -6.84311 -9.1425 23.5188 29.139 26.7992 -11.8009 TIMING: 2019000 CPU: 6008.46, 0.00297826/step Wall: 6008.46, 0.00297826/step, 2.46617 hours remaining, 205.628906 MB of memory in use. ENERGY: 2019000 759.4792 2067.9839 1954.5219 108.6221 -205977.6620 17535.9742 0.0000 0.0000 34169.2051 -149381.8755 298.4082 -183551.0806 -149289.7098 298.9010 -176.8497 -144.5846 558540.9806 -9.7642 -9.5838 PRESSURE: 2019200 -46.5418 -27.6802 135.306 -27.6818 141.36 28.3592 135.307 28.3583 7.29421 GPRESSURE: 2019200 -7.75055 -27.3704 189.195 36.7435 158.241 84.3172 93.7732 90.3175 40.2156 PRESSAVG: 2019200 -2.29163 1.18357 39.5422 1.18349 -7.30465 28.1907 39.5422 28.1908 41.2005 GPRESSAVG: 2019200 -1.19361 1.40581 41.6005 2.49797 -7.96775 29.6898 37.4956 27.1653 40.7799 TIMING: 2019200 CPU: 6009.05, 0.00296/step Wall: 6009.05, 0.00296/step, 2.45088 hours remaining, 205.628906 MB of memory in use. ENERGY: 2019200 749.4342 2033.1053 1924.5936 111.7135 -206296.3129 17973.4310 0.0000 0.0000 34194.2056 -149309.8297 298.6265 -183504.0352 -149211.3550 298.7309 34.0375 63.5688 558162.0911 10.5347 10.5395 PRESSURE: 2019400 -303.568 -108.566 -129.19 -108.568 -158.07 4.89939 -129.191 4.89989 -170.701 GPRESSURE: 2019400 -326.064 -97.9679 -106.278 -94.8428 -94.1401 37.4811 -191.353 -12.0882 -117.861 PRESSAVG: 2019400 -46.6115 20.1752 34.1929 20.1753 14.168 103.736 34.1928 103.736 32.0249 GPRESSAVG: 2019400 -46.7858 21.9025 32.5603 17.5363 14.4116 101.318 36.4642 101.796 32.3753 TIMING: 2019400 CPU: 6009.65, 0.00297983/step Wall: 6009.65, 0.00297983/step, 2.46714 hours remaining, 205.628906 MB of memory in use. ENERGY: 2019400 717.1128 2122.8187 1923.0911 112.7284 -205845.9965 17440.0024 0.0000 0.0000 34175.1314 -149355.1117 298.4599 -183530.2431 -149256.6812 299.0675 -210.7795 -179.3550 558892.5370 -0.1395 0.0003 PRESSURE: 2019600 2.63969 -119.071 54.401 -119.071 -175.137 58.2053 54.4 58.2056 216.427 GPRESSURE: 2019600 35.1988 -75.988 58.1749 -117.524 -172.33 44.2559 16.1248 84.7998 260.479 PRESSAVG: 2019600 -39.9457 0.889197 37.6758 0.889091 13.7537 7.986 37.6758 7.986 12.4623 GPRESSAVG: 2019600 -40.5752 0.275458 38.2557 2.52732 13.5894 6.88635 36.7648 9.82187 13.1299 TIMING: 2019600 CPU: 6010.24, 0.00297183/step Wall: 6010.24, 0.00297183/step, 2.46035 hours remaining, 205.628906 MB of memory in use. ENERGY: 2019600 776.4256 2120.3446 1916.0977 106.2104 -206287.3158 17943.4004 0.0000 0.0000 34059.0471 -149365.7899 297.4461 -183424.8371 -149269.1029 299.0348 14.6433 41.1161 559133.0213 -4.5766 -4.6186 PRESSURE: 2019800 -18.7508 -29.4725 107.652 -29.4733 19.1823 2.14288 107.654 2.14315 -120.134 GPRESSURE: 2019800 5.10024 -76.4601 49.5761 -33.7501 30.6477 79.3167 114.286 -15.4319 -60.0817 PRESSAVG: 2019800 31.6471 35.0726 -34.8277 35.0727 27.2736 12.0172 -34.8276 12.0173 -45.6278 GPRESSAVG: 2019800 30.8107 32.8029 -37.1486 35.072 28.6829 12.5381 -33.621 12.2368 -46.6404 TIMING: 2019800 CPU: 6010.84, 0.00299188/step Wall: 6010.84, 0.00299188/step, 2.47678 hours remaining, 205.628906 MB of memory in use. ENERGY: 2019800 748.3216 2059.3662 1947.0102 114.4680 -206242.8859 17855.0710 0.0000 0.0000 34195.5200 -149323.1289 298.6380 -183518.6489 -149222.0944 299.2919 -39.9007 -8.1112 558749.2317 4.4310 4.2844 PRESSURE: 2020000 -88.3726 -26.5558 156.065 -26.5572 -299.837 47.9177 156.065 47.918 45.0631 GPRESSURE: 2020000 -17.6499 -14.1212 187.948 -35.9864 -253.769 44.4682 200.078 151.728 19.4179 PRESSAVG: 2020000 50.1007 -18.4659 -2.63681 -18.4659 -12.0241 -19.6455 -2.6368 -19.6455 -33.9589 GPRESSAVG: 2020000 51.7009 -16.1766 0.525576 -19.6101 -12.5908 -18.8279 -1.99794 -19.2622 -35.009 TIMING: 2020000 CPU: 6011.44, 0.00297694/step Wall: 6011.44, 0.00297694/step, 2.46425 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: 2020000 741.1276 2071.5750 1926.5463 102.5669 -206129.8661 17643.9017 0.0000 0.0000 34400.2919 -149243.8567 300.4263 -183644.1486 -149149.8198 299.3385 -114.3821 -84.0005 558035.3148 1.3726 1.3670 PRESSURE: 2020200 18.0462 68.5176 -84.9919 68.5173 -103.81 177.72 -84.9917 177.719 -277.502 GPRESSURE: 2020200 97.292 96.4367 -83.522 21.8461 -127.547 121.246 -71.5525 194.281 -245.151 PRESSAVG: 2020200 8.79561 35.6452 -50.1155 35.6452 -38.5884 11.3248 -50.1156 11.3248 -4.24009 GPRESSAVG: 2020200 8.3899 34.5687 -51.5199 35.4278 -40.0026 12.2062 -50.3705 10.2178 -2.31371 TIMING: 2020200 CPU: 6012.03, 0.0029692/step Wall: 6012.03, 0.0029692/step, 2.45768 hours remaining, 205.628906 MB of memory in use. ENERGY: 2020200 707.6337 2136.9416 1944.4338 116.9956 -206240.7251 17777.0036 0.0000 0.0000 34209.4958 -149348.2210 298.7600 -183557.7168 -149251.8290 299.1047 -121.0887 -91.8020 558857.7542 -11.3443 -11.3088 LDB: ============= START OF LOAD BALANCING ============== 6015.46 LDB: ============== END OF LOAD BALANCING =============== 6015.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6015.46 LDB: ============= START OF LOAD BALANCING ============== 6015.76 LDB: Largest compute 4821 load 0.027836 is 23.6% of average load 0.118054 LDB: Average compute 0.001718 is 1.5% of average load 0.118054 LDB: TIME 6015.77 LOAD: AVG 0.118054 MAX 0.202928 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 6015.77 LOAD: AVG 0.118054 MAX 0.202928 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 6015.77 LOAD: AVG 0.118054 MAX 0.202928 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6015.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6015.77 PRESSURE: 2020400 -235.407 -101.279 -73.5018 -101.278 -76.1046 169.964 -73.5031 169.966 -133.653 GPRESSURE: 2020400 -187.957 -105.439 -14.0925 -52.9268 -55.6442 82.7625 -16.7788 194.643 -118.65 PRESSAVG: 2020400 46.0788 -9.87593 -36.7496 -9.87586 -1.46699 48.0945 -36.7497 48.0945 -13.2649 GPRESSAVG: 2020400 46.8091 -7.68392 -37.5302 -10.1505 -0.82965 47.4952 -37.1659 47.4789 -13.6821 TIMING: 2020400 CPU: 6012.64, 0.00305385/step Wall: 6012.64, 0.00305385/step, 2.52757 hours remaining, 207.222656 MB of memory in use. ENERGY: 2020400 725.9166 2074.4543 1916.2920 119.1726 -205939.5885 17715.6692 0.0000 0.0000 34174.2691 -149213.8148 298.4524 -183388.0839 -149116.0332 299.4400 -148.3883 -120.7506 558704.0768 10.4490 10.7658 PRESSURE: 2020600 -321.2 -79.7964 258.973 -79.7966 31.1893 41.0653 258.973 41.0661 -207.384 GPRESSURE: 2020600 -290.488 -0.504662 233.38 -119.27 37.0879 0.189137 207.107 20.8785 -150.797 PRESSAVG: 2020600 -7.76398 -42.1066 -18.9964 -42.1065 62.2541 34.8613 -18.9964 34.8613 -49.9188 GPRESSAVG: 2020600 -8.21581 -43.3231 -17.1804 -42.0347 61.2679 34.1791 -19.1381 34.9158 -48.394 TIMING: 2020600 CPU: 6013.23, 0.0029627/step Wall: 6013.23, 0.0029627/step, 2.45196 hours remaining, 207.425781 MB of memory in use. ENERGY: 2020600 739.0650 2125.2953 1934.8736 112.7562 -205894.7173 17594.1496 0.0000 0.0000 34280.9722 -149107.6055 299.3843 -183388.5777 -149007.2341 299.2304 -165.7983 -134.7323 559395.9828 1.5238 1.5527 PRESSURE: 2020800 -182.27 -27.2302 -61.186 -27.2316 231.868 98.1988 -61.1859 98.1984 51.4915 GPRESSURE: 2020800 -102.722 -85.6318 -32.1162 77.7171 308.307 66.3043 -56.7493 55.4592 -17.7166 PRESSAVG: 2020800 -41.3018 6.23498 30.0197 6.235 67.6375 54.3901 30.0197 54.3902 -24.1954 GPRESSAVG: 2020800 -41.067 4.80149 30.9511 7.368 68.8523 56.2656 28.5445 53.4628 -26.201 TIMING: 2020800 CPU: 6013.82, 0.00293766/step Wall: 6013.82, 0.00293766/step, 2.43107 hours remaining, 207.546875 MB of memory in use. ENERGY: 2020800 776.3040 2097.3915 1939.7541 133.2159 -206377.3910 17938.1136 0.0000 0.0000 34401.4761 -149091.1359 300.4366 -183492.6120 -148996.0790 300.0296 33.6966 62.6227 558073.4543 0.7134 0.5281 PRESSURE: 2021000 37.1308 150.256 -188.161 150.255 -104.841 71.9994 -188.16 71.9998 -75.8618 GPRESSURE: 2021000 77.9737 156.667 -99.774 137.825 -46.4283 11.7541 -219.094 69.0911 -76.5497 PRESSAVG: 2021000 2.47421 3.58176 -60.606 3.5818 -24.6815 -1.67505 -60.6061 -1.67509 -10.1238 GPRESSAVG: 2021000 3.19684 4.78163 -63.6452 3.23901 -25.0395 -1.72982 -59.8914 0.719199 -9.85096 TIMING: 2021000 CPU: 6014.41, 0.00293911/step Wall: 6014.41, 0.00293911/step, 2.43212 hours remaining, 207.546875 MB of memory in use. ENERGY: 2021000 742.6824 2113.4647 1926.0817 122.8085 -206279.0697 17829.6427 0.0000 0.0000 34523.5685 -149020.8212 301.5029 -183544.3897 -148921.9742 300.6652 -47.8575 -15.0014 559018.4199 -10.7770 -10.5645 PRESSURE: 2021200 -23.3197 142.585 -85.1399 142.585 -193.878 76.6096 -85.1404 76.6081 -2.96191 GPRESSURE: 2021200 8.53273 137.754 -85.8318 121.4 -193.96 -39.1121 -115.864 150.39 43.8776 PRESSAVG: 2021200 20.8853 39.1776 -77.7346 39.1776 -42.334 -20.1941 -77.7345 -20.194 44.088 GPRESSAVG: 2021200 19.7617 38.3306 -76.9028 40.3975 -41.4506 -21.356 -77.6058 -21.2742 44.6752 TIMING: 2021200 CPU: 6015.01, 0.00298002/step Wall: 6015.01, 0.00298002/step, 2.4658 hours remaining, 207.546875 MB of memory in use. ENERGY: 2021200 756.0077 2093.1450 1920.3480 124.1501 -206063.6126 17816.8829 0.0000 0.0000 34374.8299 -148978.2491 300.2039 -183353.0790 -148880.8535 299.9938 -73.3866 -47.1832 558680.3408 7.5464 7.6621 PRESSURE: 2021400 -126.389 -6.5666 -35.6751 -6.56652 -140.637 -11.5227 -35.6759 -11.5224 33.0541 GPRESSURE: 2021400 -87.132 -18.8234 51.6407 29.6868 -148.864 5.70696 -42.4199 -3.95636 99.0919 PRESSAVG: 2021400 -25.4298 27.6195 -26.8133 27.6195 -36.8454 8.07627 -26.8133 8.07638 79.0039 GPRESSAVG: 2021400 -24.145 28.0548 -24.4823 27.1445 -37.0325 7.27187 -28.613 9.34452 77.848 TIMING: 2021400 CPU: 6015.6, 0.00297942/step Wall: 6015.6, 0.00297942/step, 2.46514 hours remaining, 207.546875 MB of memory in use. ENERGY: 2021400 769.6818 2136.9920 1926.7238 114.6235 -206142.2141 17783.8542 0.0000 0.0000 34485.4176 -148924.9212 301.1697 -183410.3388 -148824.2124 300.4200 -77.9905 -45.6347 559542.7941 5.5762 5.5568 PRESSURE: 2021600 115.735 -55.4767 40.1947 -55.476 59.0672 -33.179 40.1957 -33.1795 84.7854 GPRESSURE: 2021600 196.392 -81.2109 46.6788 -87.2957 67.6187 -15.1303 -0.788823 -59.6804 93.1168 PRESSAVG: 2021600 -6.64942 36.2302 27.1441 36.2302 25.7501 -34.2109 27.1442 -34.2108 -43.6054 GPRESSAVG: 2021600 -6.94279 37.0298 26.8379 33.1475 25.559 -33.789 27.6953 -34.697 -42.6658 TIMING: 2021600 CPU: 6016.2, 0.00298947/step Wall: 6016.2, 0.00298947/step, 2.47329 hours remaining, 207.546875 MB of memory in use. ENERGY: 2021600 778.4079 2125.4729 1924.7740 102.9575 -206557.2601 18081.5866 0.0000 0.0000 34477.5268 -149066.5343 301.1008 -183544.0611 -148976.4711 300.0448 86.5293 119.0424 556176.0076 -8.1682 -8.0165 PRESSURE: 2021800 -260.866 -24.2712 -47.8622 -24.2698 44.9812 -46.581 -47.8612 -46.5823 63.8798 GPRESSURE: 2021800 -218.319 -49.1016 -141.783 43.2655 117.489 20.5891 6.70324 -42.7934 47.5089 PRESSAVG: 2021800 -30.7637 -23.9783 39.6781 -23.9783 10.6261 -33.7228 39.6782 -33.7228 1.25245 GPRESSAVG: 2021800 -31.5489 -24.8544 36.3078 -22.144 11.1124 -31.721 41.0098 -34.5741 1.6581 TIMING: 2021800 CPU: 6016.8, 0.00297862/step Wall: 6016.8, 0.00297862/step, 2.46414 hours remaining, 207.546875 MB of memory in use. ENERGY: 2021800 759.3350 2098.1628 1924.5370 113.0957 -206065.0203 17735.3780 0.0000 0.0000 34367.0299 -149067.4820 300.1358 -183434.5119 -148970.4195 299.5863 -50.6685 -17.7737 557762.1850 -6.2950 -6.2595 PRESSURE: 2022000 -238.397 24.8727 -93.7245 24.8713 13.057 24.3519 -93.7243 24.3523 -13.7685 GPRESSURE: 2022000 -140.069 18.1199 -83.06 10.9609 19.9437 38.8843 -80.0866 27.1659 -25.8258 PRESSAVG: 2022000 -7.67284 31.7715 83.625 31.7715 6.28395 5.05422 83.6248 5.05423 17.6187 GPRESSAVG: 2022000 -6.8512 32.0385 85.7841 32.8202 7.18858 4.10441 81.665 4.40104 16.3155 TIMING: 2022000 CPU: 6017.39, 0.00297833/step Wall: 6017.39, 0.00297833/step, 2.46374 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: 2022000 772.4456 2095.1852 1917.6300 123.9024 -205986.1539 17693.7474 0.0000 0.0000 34388.8042 -148994.4392 300.3260 -183383.2434 -148900.5279 300.2164 -79.7030 -48.6505 558441.7857 5.4099 5.5510 PRESSURE: 2022200 84.9616 -123.077 -29.2509 -123.077 40.0538 39.9996 -29.25 40.0003 227.56 GPRESSURE: 2022200 134.119 -188.845 28.6119 -89.2282 74.5467 62.2231 -35.4366 -17.0347 221.043 PRESSAVG: 2022200 32.4457 -31.4414 -19.3628 -31.4414 55.4928 -24.9928 -19.3627 -24.9928 -43.0322 GPRESSAVG: 2022200 32.1653 -29.5075 -19.234 -32.0671 54.5408 -24.8822 -17.9463 -24.1504 -42.2833 TIMING: 2022200 CPU: 6017.98, 0.00296618/step Wall: 6017.98, 0.00296618/step, 2.45352 hours remaining, 207.746094 MB of memory in use. ENERGY: 2022200 749.5809 2099.2880 1928.2903 113.2418 -205944.1713 17774.8235 0.0000 0.0000 34233.9009 -149045.0459 298.9732 -183278.9469 -148950.3997 299.8867 117.5252 143.2360 557435.9598 14.9688 14.8076 PRESSURE: 2022400 18.9242 -68.78 -11.2712 -68.7792 69.9533 125.923 -11.2717 125.924 -113.039 GPRESSURE: 2022400 60.87 -48.5933 63.2206 -49.5646 118.665 13.289 -57.0659 231.656 -100.407 PRESSAVG: 2022400 6.96114 -11.7908 -31.928 -11.7908 15.3907 0.222472 -31.9281 0.222392 8.49218 GPRESSAVG: 2022400 7.79178 -14.8419 -31.1524 -12.3369 15.176 0.533927 -32.9404 1.56146 8.78934 TIMING: 2022400 CPU: 6018.58, 0.00298119/step Wall: 6018.58, 0.00298119/step, 2.46578 hours remaining, 207.746094 MB of memory in use. ENERGY: 2022400 775.8294 2078.0199 1918.1169 118.9716 -206199.8141 17897.6546 0.0000 0.0000 34239.3911 -149171.8306 299.0211 -183411.2217 -149069.9712 299.3194 -8.0538 26.3760 558939.0026 10.2814 10.5857 PRESSURE: 2022600 -30.236 -120.682 132.128 -120.681 74.6473 -113.257 132.129 -113.256 164.321 GPRESSURE: 2022600 -5.8162 -90.6434 141.257 -130.534 134.416 -57.786 117.576 -102.131 187.314 PRESSAVG: 2022600 25.7319 -4.89962 73.2761 -4.89959 34.9883 -41.8467 73.2761 -41.8466 -21.1576 GPRESSAVG: 2022600 24.9202 -3.33848 73.3184 -2.55379 35.0982 -42.7746 73.2377 -39.7249 -20.3643 TIMING: 2022600 CPU: 6019.18, 0.00300702/step Wall: 6019.18, 0.00300702/step, 2.48697 hours remaining, 207.746094 MB of memory in use. ENERGY: 2022600 739.1763 2110.1501 1914.9255 118.5744 -206021.6342 17741.2437 0.0000 0.0000 34145.0332 -149252.5309 298.1971 -183397.5641 -149156.5333 298.9109 69.5773 105.3048 557652.5591 13.1875 13.2181 PRESSURE: 2022800 23.8434 137.711 -163.745 137.711 304.024 64.9534 -163.744 64.9537 316.711 GPRESSURE: 2022800 -11.1458 -64.3188 -69.6794 137.121 346.99 65.3929 -220.059 36.6357 403.197 PRESSAVG: 2022800 -28.2451 -27.4986 2.56779 -27.4986 4.73293 -20.3759 2.56781 -20.3758 6.94811 GPRESSAVG: 2022800 -28.8539 -28.8838 1.5648 -27.3622 5.46809 -18.4421 2.68366 -26.7806 6.21366 TIMING: 2022800 CPU: 6019.78, 0.00299364/step Wall: 6019.78, 0.00299364/step, 2.47574 hours remaining, 207.746094 MB of memory in use. ENERGY: 2022800 717.8517 2144.0889 1926.6268 120.9905 -206600.1258 18153.6469 0.0000 0.0000 34218.9928 -149317.9283 298.8430 -183536.9211 -149224.1215 298.6724 214.8594 246.3470 558551.3876 -5.5214 -5.7240 PRESSURE: 2023000 -191.877 -262.477 -53.7686 -262.477 -41.4354 76.3385 -53.7687 76.3393 109.626 GPRESSURE: 2023000 -150.661 -175.252 -68.444 -256.816 -26.2914 26.9298 -2.27588 101.576 142.217 PRESSAVG: 2023000 -7.39704 2.08426 -56.9205 2.08431 -14.6046 -4.75535 -56.9206 -4.7553 26.2002 GPRESSAVG: 2023000 -6.51681 3.58805 -55.3601 2.20799 -15.6932 -5.91195 -57.3233 -0.775418 26.5679 TIMING: 2023000 CPU: 6020.38, 0.00300172/step Wall: 6020.38, 0.00300172/step, 2.48225 hours remaining, 207.746094 MB of memory in use. ENERGY: 2023000 743.2126 2110.7296 1935.7161 104.2415 -205906.6133 17766.3222 0.0000 0.0000 33967.2700 -149279.1213 296.6446 -183246.3913 -149182.9984 298.5317 -41.2288 -11.5784 559707.7639 1.3995 1.4526 PRESSURE: 2023200 112.724 236.357 150.413 236.357 -122.396 -184.621 150.414 -184.62 119.799 GPRESSURE: 2023200 162.153 233.499 104.664 246.864 -118.455 -157.157 200.009 -139.75 159.64 PRESSAVG: 2023200 -17.3215 74.2288 -13.7802 74.2289 5.82018 -36.126 -13.7802 -36.1259 -2.93304 GPRESSAVG: 2023200 -18.0647 73.8944 -16.0726 72.6388 6.90612 -36.5538 -10.8053 -36.4416 -2.77627 TIMING: 2023200 CPU: 6020.98, 0.00299681/step Wall: 6020.98, 0.00299681/step, 2.47802 hours remaining, 207.746094 MB of memory in use. ENERGY: 2023200 753.0156 2053.3346 1947.5132 107.5455 -206424.8047 17837.7144 0.0000 0.0000 34397.7929 -149327.8885 300.4045 -183725.6814 -149230.9245 298.7806 36.7088 67.7791 558927.9279 -4.8114 -4.6449 PRESSURE: 2023400 29.8801 188.927 -7.05852 188.928 -275.591 7.66736 -7.05812 7.66781 239.495 GPRESSURE: 2023400 76.9185 201.523 -9.91039 219.412 -220.549 -23.1033 13.2863 25.2575 251.446 PRESSAVG: 2023400 10.4344 0.868113 -8.33022 0.868146 -25.8327 4.3432 -8.33026 4.34316 43.1164 GPRESSAVG: 2023400 11.0848 1.8964 -8.36851 0.182832 -24.8057 4.08499 -9.85891 6.18397 41.9763 TIMING: 2023400 CPU: 6021.58, 0.00300481/step Wall: 6021.58, 0.00300481/step, 2.48448 hours remaining, 207.746094 MB of memory in use. ENERGY: 2023400 721.6462 2077.2856 1945.0534 112.4588 -206645.4693 17990.5732 0.0000 0.0000 34462.4486 -149336.0036 300.9691 -183798.4521 -149243.2332 299.2832 -2.0722 35.9387 557937.0881 9.2393 9.4185 PRESSURE: 2023600 -5.68125 135.702 49.0224 135.702 -85.1661 -84.9204 49.0218 -84.92 75.1318 GPRESSURE: 2023600 -6.69894 199.515 1.43026 83.07 -1.99177 -21.321 150.689 -104.261 91.4179 PRESSAVG: 2023600 -37.5082 -35.3533 -36.8309 -35.3533 -19.1309 54.8086 -36.8308 54.8086 54.6365 GPRESSAVG: 2023600 -39.0671 -35.0977 -36.2889 -36.4115 -19.3463 54.7306 -37.3651 52.9389 56.3934 TIMING: 2023600 CPU: 6022.18, 0.0030016/step Wall: 6022.18, 0.0030016/step, 2.48166 hours remaining, 207.746094 MB of memory in use. ENERGY: 2023600 762.9159 2093.8155 1918.8940 127.8038 -206396.5090 17921.8468 0.0000 0.0000 34228.8192 -149342.4138 298.9288 -183571.2329 -149252.2273 298.9072 -5.2385 27.5757 558913.6536 -0.6675 -0.6733 PRESSURE: 2023800 -93.0521 -136.069 -143.869 -136.068 -254.694 57.3737 -143.87 57.3734 -177.619 GPRESSURE: 2023800 -80.6741 -80.9511 -102.4 -165.297 -220.036 -0.837017 -151.307 108.509 -123.862 PRESSAVG: 2023800 -14.9733 -5.76463 0.582618 -5.76458 -14.4044 -27.228 0.582532 -27.2279 27.7649 GPRESSAVG: 2023800 -14.1217 -6.71805 -0.193425 -5.00919 -13.8733 -27.0836 0.267939 -27.7691 26.8472 TIMING: 2023800 CPU: 6022.78, 0.00301388/step Wall: 6022.78, 0.00301388/step, 2.49164 hours remaining, 207.746094 MB of memory in use. ENERGY: 2023800 749.8163 2079.9192 1922.6406 122.7486 -206137.5217 17698.5956 0.0000 0.0000 34317.4337 -149246.3677 299.7027 -183563.8014 -149144.8946 299.0641 -175.1218 -141.5240 559085.4375 -0.5376 -0.3826 PRESSURE: 2024000 -269.833 -167.977 -95.0681 -167.975 -183.131 109.259 -95.068 109.261 180.207 GPRESSURE: 2024000 -238.791 -218.579 -99.6567 -172.046 -124.69 139.142 -31.7331 76.9562 193.268 PRESSAVG: 2024000 34.9201 -18.4822 -35.6479 -18.4823 -11.6605 5.99124 -35.6479 5.99122 -13.627 GPRESSAVG: 2024000 34.3898 -19.4893 -35.7126 -17.4129 -11.2091 6.86744 -35.0617 5.39882 -12.9562 TIMING: 2024000 CPU: 6023.38, 0.00299205/step Wall: 6023.38, 0.00299205/step, 2.47343 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: 2024000 768.5233 2019.1600 1953.2125 112.8668 -206144.2194 17774.3860 0.0000 0.0000 34405.8129 -149110.2578 300.4745 -183516.0708 -149016.7677 299.5234 -90.9191 -56.7378 558532.3124 3.2109 3.4082 PRESSURE: 2024200 88.5846 -94.8938 -117.687 -94.8939 -130.924 -98.2146 -117.686 -98.2137 -104.38 GPRESSURE: 2024200 132.982 -38.4932 -118.093 -112.085 -118.175 -162.111 -125.906 5.16452 -82.9922 PRESSAVG: 2024200 -23.4504 -39.9415 15.7214 -39.9414 -8.28727 40.5541 15.7214 40.5542 -15.32 GPRESSAVG: 2024200 -21.8635 -38.6295 17.3366 -41.9462 -10.7693 40.6216 14.5528 41.5681 -14.9015 TIMING: 2024200 CPU: 6023.98, 0.00299841/step Wall: 6023.98, 0.00299842/step, 2.47852 hours remaining, 207.746094 MB of memory in use. ENERGY: 2024200 775.6172 2061.7992 1937.4620 103.7614 -206196.6425 17926.6456 0.0000 0.0000 34260.9680 -149130.3891 299.2096 -183391.3571 -149039.8743 299.1479 -48.9063 -22.7284 558563.6009 -15.6859 -15.8448 LDB: ============= START OF LOAD BALANCING ============== 6027.41 LDB: ============== END OF LOAD BALANCING =============== 6027.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6027.41 LDB: ============= START OF LOAD BALANCING ============== 6027.71 LDB: Largest compute 4821 load 0.028689 is 24.3% of average load 0.118102 LDB: Average compute 0.001721 is 1.5% of average load 0.118102 LDB: TIME 6027.72 LOAD: AVG 0.118102 MAX 0.201837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.883 MB LDB: TIME 6027.72 LOAD: AVG 0.118102 MAX 0.201837 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.957 MB LDB: TIME 6027.72 LOAD: AVG 0.118102 MAX 0.201837 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.957 MB LDB: ============== END OF LOAD BALANCING =============== 6027.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6027.72 PRESSURE: 2024400 -32.0902 -91.8522 -115.124 -91.8515 -209.234 86.2579 -115.124 86.2582 -139.887 GPRESSURE: 2024400 3.11404 -106.68 -100.731 -88.2476 -201.191 76.5673 -97.6186 31.4397 -91.341 PRESSAVG: 2024400 58.6242 -16.8365 1.36893 -16.8366 -41.5096 -20.2571 1.3688 -20.2571 2.92928 GPRESSAVG: 2024400 57.5164 -18.7596 0.0645756 -17.3625 -39.4885 -18.7342 1.80168 -21.4366 2.59117 TIMING: 2024400 CPU: 6024.59, 0.00304846/step Wall: 6024.59, 0.00304846/step, 2.51972 hours remaining, 205.941406 MB of memory in use. ENERGY: 2024400 763.7821 2043.1725 1924.7424 118.3068 -206490.4064 17796.6429 0.0000 0.0000 34567.3082 -149276.4515 301.8849 -183843.7597 -149181.3121 299.4480 -127.0703 -96.4727 558303.8882 6.6813 6.8731 PRESSURE: 2024600 -114.08 -35.9132 -145.73 -35.9124 -237.862 -99.6791 -145.731 -99.6783 -87.7533 GPRESSURE: 2024600 -89.1737 13.5214 -150.181 11.3413 -198.901 -126.431 -108.485 -72.0142 -61.9331 PRESSAVG: 2024600 9.19358 56.9436 -87.2557 56.9436 -26.9838 30.7007 -87.2557 30.7009 29.6623 GPRESSAVG: 2024600 9.30718 58.2846 -88.9382 56.8676 -27.8126 30.4852 -86.6987 31.4661 29.8735 TIMING: 2024600 CPU: 6025.19, 0.00298692/step Wall: 6025.19, 0.00298692/step, 2.46869 hours remaining, 205.941406 MB of memory in use. ENERGY: 2024600 743.1738 2026.7113 1964.3906 111.3201 -205929.7117 17621.7479 0.0000 0.0000 34332.4869 -149129.8811 299.8341 -183462.3681 -149030.2883 299.6588 -146.5648 -116.6691 559036.0282 3.9573 3.7894 PRESSURE: 2024800 -130.523 75.9327 44.8078 75.9333 -136.877 -22.3584 44.8075 -22.3572 -193.587 GPRESSURE: 2024800 -109.264 69.8241 36.5933 156.532 -90.4735 -52.9321 -34.753 37.2944 -154.05 PRESSAVG: 2024800 55.8527 8.10762 -40.145 8.10773 -30.0351 30.2476 -40.145 30.2475 7.89868 GPRESSAVG: 2024800 56.3715 7.42345 -38.6424 8.08124 -29.4549 28.8029 -39.6783 30.9709 7.42569 TIMING: 2024800 CPU: 6025.78, 0.00296917/step Wall: 6025.78, 0.00296917/step, 2.45385 hours remaining, 205.941406 MB of memory in use. ENERGY: 2024800 784.2000 2076.7931 1924.9380 117.6745 -205931.4936 17764.2701 0.0000 0.0000 34249.5988 -149014.0191 299.1103 -183263.6179 -148916.3068 300.4297 -153.6620 -117.9292 558565.3684 11.2388 11.4474 PRESSURE: 2025000 -232.944 -161.135 21.0808 -161.134 -171.86 192.378 21.0818 192.377 93.3839 GPRESSURE: 2025000 -217.621 -154.622 98.2134 -130.48 -111.031 188.205 40.8827 160.656 121.42 PRESSAVG: 2025000 33.6223 42.3605 -6.91122 42.3605 -20.5905 -17.7405 -6.9112 -17.7405 -5.59017 GPRESSAVG: 2025000 33.5893 44.7931 -6.41085 40.7386 -21.6874 -17.716 -7.62408 -19.0645 -4.61842 TIMING: 2025000 CPU: 6026.38, 0.00299062/step Wall: 6026.38, 0.00299062/step, 2.47141 hours remaining, 205.941406 MB of memory in use. ENERGY: 2025000 745.8582 2119.6639 1926.9510 109.7827 -206057.7284 17724.9448 0.0000 0.0000 34407.1308 -149023.3970 300.4860 -183430.5279 -148922.4220 300.0752 -103.8065 -69.0772 558792.7605 2.4806 2.4278 PRESSURE: 2025200 30.4894 13.645 -114.438 13.6435 115.749 3.22277 -114.439 3.2241 295.289 GPRESSURE: 2025200 64.2437 -54.7038 -57.0266 32.2556 151.137 -27.5443 -110.868 45.4853 318.935 PRESSAVG: 2025200 -54.2376 -17.6532 -14.6965 -17.6532 -30.6331 20.4187 -14.6964 20.4186 86.1905 GPRESSAVG: 2025200 -54.3183 -20.7843 -15.6399 -14.991 -29.6862 19.9477 -14.3286 21.9626 85.4879 TIMING: 2025200 CPU: 6026.99, 0.00302411/step Wall: 6026.99, 0.00302411/step, 2.49892 hours remaining, 205.941406 MB of memory in use. ENERGY: 2025200 751.5822 2092.2249 1947.0533 113.0228 -206373.6507 18128.8113 0.0000 0.0000 34258.0524 -149082.9036 299.1841 -183340.9561 -148983.7524 299.6564 147.1757 178.1053 557705.3337 0.4399 0.4945 PRESSURE: 2025400 53.4035 -101.461 60.0561 -101.461 -0.194038 182.544 60.0564 182.543 -101.755 GPRESSURE: 2025400 46.0976 -117.156 -5.17017 -100.119 23.4454 190.499 111.104 194.957 -27.1518 PRESSAVG: 2025400 -79.7957 -2.37692 -84.3408 -2.37697 7.02097 4.01442 -84.3408 4.01438 69.0441 GPRESSAVG: 2025400 -79.4024 -1.83565 -83.1007 -2.41368 7.49791 5.83271 -85.3391 3.25296 68.918 TIMING: 2025400 CPU: 6027.59, 0.0029962/step Wall: 6027.59, 0.0029962/step, 2.47569 hours remaining, 205.941406 MB of memory in use. ENERGY: 2025400 720.3217 2129.8259 1920.7023 111.6640 -206298.1558 17772.7849 0.0000 0.0000 34510.9519 -149131.9051 301.3927 -183642.8570 -149027.8746 299.7019 -16.1818 14.1304 557942.1712 -1.2435 -0.9955 PRESSURE: 2025600 -31.5954 -65.6958 -151.104 -65.6956 -338.275 21.4272 -151.105 21.4267 190.948 GPRESSURE: 2025600 -58.9109 -21.5842 -131.013 -93.5471 -310.916 75.9583 -98.6172 -49.4266 283.842 PRESSAVG: 2025600 31.1929 21.5509 -61.8564 21.5509 -55.3769 26.4237 -61.8563 26.4238 -4.13887 GPRESSAVG: 2025600 30.1719 21.9777 -62.319 22.3279 -54.8798 28.0711 -60.3276 25.1219 -3.62115 TIMING: 2025600 CPU: 6028.18, 0.00296718/step Wall: 6028.18, 0.00296718/step, 2.45155 hours remaining, 205.941406 MB of memory in use. ENERGY: 2025600 777.9157 2117.8291 1935.2980 106.8641 -206396.0173 17907.6841 0.0000 0.0000 34351.0474 -149199.3788 299.9962 -183550.4262 -149106.7202 300.1689 -59.6409 -28.6617 558522.2067 -9.4410 -9.4430 PRESSURE: 2025800 84.7989 -69.5225 -116.093 -69.5237 308.576 166.827 -116.092 166.827 131.075 GPRESSURE: 2025800 140.34 -106.454 -75.1714 -78.2531 337.945 142.585 -86.9506 207.784 129.435 PRESSAVG: 2025800 40.8432 -40.917 -41.1962 -40.917 -45.1499 -66.02 -41.1963 -66.0199 4.21097 GPRESSAVG: 2025800 42.5927 -39.3903 -41.3737 -43.6655 -46.1687 -67.7158 -42.7158 -63.9478 3.58844 TIMING: 2025800 CPU: 6028.77, 0.00295768/step Wall: 6028.77, 0.00295768/step, 2.44353 hours remaining, 205.941406 MB of memory in use. ENERGY: 2025800 756.0588 2076.4849 1930.6330 108.7021 -206580.7541 18128.4921 0.0000 0.0000 34288.8822 -149291.5010 299.4533 -183580.3832 -149190.4573 299.5030 174.8165 202.5732 557180.7218 -0.0319 0.0042 PRESSURE: 2026000 -209.423 -66.4129 -40.0748 -66.4126 -97.6071 -11.3741 -40.076 -11.3765 -160.937 GPRESSURE: 2026000 -140.592 -48.7575 -51.7502 -7.847 -66.809 16.715 -44.7722 -66.0565 -156.875 PRESSAVG: 2026000 21.0494 -29.9766 -40.3892 -29.9765 10.8352 -16.9896 -40.3894 -16.9896 -40.7556 GPRESSAVG: 2026000 21.2095 -32.1552 -41.2368 -28.8479 10.3937 -18.9908 -40.3723 -16.3996 -40.275 TIMING: 2026000 CPU: 6029.37, 0.00297216/step Wall: 6029.37, 0.00297216/step, 2.45533 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: 2026000 788.4048 2072.8353 1936.1843 117.5372 -205888.5978 17636.8530 0.0000 0.0000 34101.3047 -149235.4784 297.8152 -183336.7830 -149137.2109 299.1058 -155.9891 -121.4254 558690.4086 -2.9570 -2.8906 PRESSURE: 2026200 -110.638 33.8999 -34.6428 33.9013 -175.984 -79.4681 -34.6433 -79.4671 -141.393 GPRESSURE: 2026200 -50.7792 -111.606 -73.2258 131.334 -127.347 -51.0824 -24.6794 -91.2939 -152.655 PRESSAVG: 2026200 9.93779 23.8369 -21.5149 23.8369 -20.2793 -46.8831 -21.5149 -46.883 -23.579 GPRESSAVG: 2026200 8.64745 24.1925 -22.4983 25.6401 -20.3249 -43.6081 -18.8501 -48.6489 -22.5862 TIMING: 2026200 CPU: 6029.96, 0.0029755/step Wall: 6029.96, 0.0029755/step, 2.45793 hours remaining, 205.941406 MB of memory in use. ENERGY: 2026200 747.2913 2059.5709 1919.7429 109.7622 -206051.7713 17543.6695 0.0000 0.0000 34257.0359 -149414.6986 299.1752 -183671.7345 -149310.0200 298.6746 -142.6718 -110.2604 558130.7055 -11.3068 -11.4212 PRESSURE: 2026400 -252.61 -160.055 119.772 -160.055 173.742 4.33812 119.772 4.33826 -78.7255 GPRESSURE: 2026400 -168.619 -27.291 139.823 -174.847 133.957 -16.7356 84.785 40.2896 -24.7283 PRESSAVG: 2026400 1.5601 -22.9326 15.6104 -22.9327 -54.9694 7.19928 15.6105 7.19923 84.8455 GPRESSAVG: 2026400 2.12202 -22.5705 17.2829 -23.8124 -54.6988 6.56426 14.035 7.09674 84.1615 TIMING: 2026400 CPU: 6030.55, 0.00295683/step Wall: 6030.55, 0.00295684/step, 2.44235 hours remaining, 205.941406 MB of memory in use. ENERGY: 2026400 733.6050 2069.6941 1931.8602 109.0205 -206305.0697 17825.9118 0.0000 0.0000 34271.4004 -149363.5776 299.3007 -183634.9781 -149264.9292 298.2694 -52.5312 -19.7968 558297.8509 10.4787 10.5282 PRESSURE: 2026600 -37.6877 69.3802 114.932 69.381 -236.119 57.3108 114.933 57.3102 -39.7513 GPRESSURE: 2026600 -22.1237 -62.7373 72.7852 80.7135 -191.355 46.6234 48.6908 74.6214 -16.5708 PRESSAVG: 2026600 -36.0165 5.06627 -13.1186 5.06633 15.653 33.4768 -13.1185 33.4768 19.5569 GPRESSAVG: 2026600 -35.7179 3.94529 -11.3133 4.26545 16.2791 33.1218 -13.3619 34.5598 18.3591 TIMING: 2026600 CPU: 6031.14, 0.00294447/step Wall: 6031.14, 0.00294447/step, 2.43197 hours remaining, 205.941406 MB of memory in use. ENERGY: 2026600 750.0984 2156.2238 1921.5795 114.8962 -205909.6599 17640.9871 0.0000 0.0000 34093.0453 -149232.8298 297.7430 -183325.8751 -149136.6104 299.0867 -104.5194 -76.6833 558064.1529 -0.2688 -0.3599 PRESSURE: 2026800 -61.9987 -53.0249 48.6248 -53.0245 15.8966 88.8255 48.6244 88.8236 35.6453 GPRESSURE: 2026800 -32.7695 -79.8232 162.207 -42.0572 2.48656 48.1689 -98.2414 60.3071 110.542 PRESSAVG: 2026800 48.3172 -9.49766 -26.1434 -9.49756 4.60109 12.2137 -26.1434 12.2137 7.14272 GPRESSAVG: 2026800 48.7204 -9.13697 -26.4238 -10.0967 3.86782 11.0025 -28.8981 11.6194 7.7741 TIMING: 2026800 CPU: 6031.73, 0.0029566/step Wall: 6031.73, 0.0029566/step, 2.44182 hours remaining, 205.941406 MB of memory in use. ENERGY: 2026800 705.5496 2114.0269 1938.2133 105.3277 -206105.9424 17803.4650 0.0000 0.0000 34260.3736 -149178.9862 299.2044 -183439.3599 -149082.2597 299.1785 -3.4856 26.7529 557655.5527 20.0203 20.1208 PRESSURE: 2027000 61.2528 -40.2985 245.451 -40.2993 -88.6029 -27.5668 245.45 -27.5684 -31.4045 GPRESSURE: 2027000 87.9001 -82.6831 225.639 -56.5835 -55.7628 -65.1143 288.768 35.0265 3.9898 PRESSAVG: 2027000 -27.3005 -30.2501 -3.41866 -30.2502 36.7837 -38.08 -3.41871 -38.08 20.4726 GPRESSAVG: 2027000 -26.8305 -29.8075 -4.48035 -30.2993 37.2939 -35.8825 -0.431799 -37.9959 19.6083 TIMING: 2027000 CPU: 6032.33, 0.00298116/step Wall: 6032.33, 0.00298116/step, 2.46194 hours remaining, 205.941406 MB of memory in use. ENERGY: 2027000 756.8261 2122.8361 1939.1346 97.2814 -206333.3162 17885.5252 0.0000 0.0000 34219.9915 -149311.7212 298.8517 -183531.7127 -149211.8477 299.3708 -19.5849 12.0424 556838.9003 9.9853 10.0239 PRESSURE: 2027200 -36.2426 -70.4466 -119.033 -70.4458 -153.099 -126.105 -119.034 -126.105 3.70569 GPRESSURE: 2027200 13.8314 31.6889 -120.394 -106.336 -133.253 -71.5046 -88.7162 -235.193 36.4725 PRESSAVG: 2027200 -22.7592 32.9462 33.1973 32.9461 -3.33311 -27.2207 33.1973 -27.2205 2.47341 GPRESSAVG: 2027200 -23.0523 33.6833 33.6739 32.5234 -2.42187 -28.3765 33.0215 -27.1858 2.92805 TIMING: 2027200 CPU: 6032.92, 0.00295923/step Wall: 6032.92, 0.00295923/step, 2.44367 hours remaining, 205.941406 MB of memory in use. ENERGY: 2027200 749.9409 2060.4821 1947.5761 114.8565 -206221.1076 17739.1943 0.0000 0.0000 34384.6037 -149224.4541 300.2893 -183609.0578 -149121.6756 298.9163 -61.8786 -27.6496 558670.5419 -7.8730 -7.5154 PRESSURE: 2027400 -149.591 -26.1091 -4.31299 -26.1088 -117.961 74.6116 -4.31357 74.6115 -215.95 GPRESSURE: 2027400 -118.84 -34.7558 31.7366 3.45873 -117.607 93.1507 -27.6537 88.9099 -160.993 PRESSAVG: 2027400 28.0091 -9.97512 -38.4572 -9.97523 -57.6936 21.2229 -38.4572 21.2228 16.0597 GPRESSAVG: 2027400 28.1144 -11.5187 -36.9109 -8.48639 -59.2755 20.2828 -39.1207 23.5355 16.8633 TIMING: 2027400 CPU: 6033.51, 0.00296942/step Wall: 6033.51, 0.00296942/step, 2.45191 hours remaining, 205.941406 MB of memory in use. ENERGY: 2027400 768.6951 2075.2922 1943.6334 135.4772 -206200.8670 17802.7241 0.0000 0.0000 34212.8183 -149262.2267 298.7891 -183475.0450 -149160.9781 298.5294 -161.1677 -132.4802 558831.5681 -4.5416 -4.7659 PRESSURE: 2027600 -80.2729 -152.88 2.72325 -152.88 -60.0567 36.1964 2.7241 36.1953 -321.279 GPRESSURE: 2027600 -27.669 -235.002 -113.522 -191.875 6.29331 9.48765 -10.2366 -23.1154 -337.138 PRESSAVG: 2027600 15.8972 31.5284 15.6323 31.5283 9.92 10.8136 15.6323 10.8135 -35.2091 GPRESSAVG: 2027600 16.479 31.8096 13.7415 31.1505 9.9109 12.3305 16.5489 9.49979 -35.7447 TIMING: 2027600 CPU: 6034.1, 0.00295469/step Wall: 6034.1, 0.00295469/step, 2.43959 hours remaining, 205.941406 MB of memory in use. ENERGY: 2027600 765.1279 2089.3460 1919.1438 105.0023 -206291.0526 17822.1063 0.0000 0.0000 34315.8778 -149274.4485 299.6891 -183590.3263 -149181.8422 298.9897 -153.8694 -119.5046 559201.8021 -3.1306 -3.1183 PRESSURE: 2027800 5.40694 186.514 -158.85 186.513 416.57 -54.4574 -158.85 -54.4574 47.0693 GPRESSURE: 2027800 36.6311 223.807 -38.3015 107.086 473.088 -34.6808 -161.55 29.5483 62.6867 PRESSAVG: 2027800 82.1947 75.2554 14.72 75.2554 0.464589 -7.16147 14.7201 -7.16151 -71.2502 GPRESSAVG: 2027800 81.5611 76.4014 15.6773 75.1365 0.313038 -8.25712 12.8059 -6.70262 -70.516 TIMING: 2027800 CPU: 6034.71, 0.0030056/step Wall: 6034.71, 0.0030056/step, 2.48146 hours remaining, 205.941406 MB of memory in use. ENERGY: 2027800 715.9992 2091.0670 1959.3718 116.5244 -206525.4915 18094.3777 0.0000 0.0000 34336.0775 -149212.0739 299.8655 -183548.1514 -149101.7055 298.4482 156.3488 190.8020 557499.7858 3.8030 3.7860 PRESSURE: 2028000 82.8321 -57.5133 115.46 -57.5144 -190.853 -10.3271 115.46 -10.327 -27.535 GPRESSURE: 2028000 142.095 -15.1282 92.9259 -95.2367 -166.666 -33.0889 177.289 -41.5846 -6.58136 PRESSAVG: 2028000 56.6804 65.4999 47.4179 65.4998 -79.058 15.424 47.418 15.424 19.2526 GPRESSAVG: 2028000 56.5029 66.6095 44.8854 66.5185 -79.0179 17.1672 50.1433 13.8074 18.7149 TIMING: 2028000 CPU: 6035.3, 0.00297916/step Wall: 6035.3, 0.00297916/step, 2.45946 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: 2028000 738.0025 2064.2089 1952.8274 127.0846 -205804.9128 17632.0197 0.0000 0.0000 34098.7497 -149192.0200 297.7929 -183290.7697 -149099.2146 298.9709 -45.1854 -10.3841 557081.3905 -1.0417 -1.2667 PRESSURE: 2028200 -55.9435 -92.5434 9.33963 -92.5436 -266.752 76.1966 9.33938 76.1975 92.9053 GPRESSURE: 2028200 -4.44359 -113.514 -12.6751 -156.294 -238.68 99.8238 99.4523 -3.16646 101.829 PRESSAVG: 2028200 -69.557 37.3842 38.547 37.3842 -3.22632 -24.9811 38.547 -24.9812 16.3377 GPRESSAVG: 2028200 -70.4784 33.7316 40.8756 36.0927 -1.93333 -25.1684 34.3017 -24.7368 16.0536 TIMING: 2028200 CPU: 6035.9, 0.00298447/step Wall: 6035.9, 0.00298447/step, 2.46368 hours remaining, 205.941406 MB of memory in use. ENERGY: 2028200 723.7381 2069.3586 1935.1798 101.9564 -206058.5594 17656.2612 0.0000 0.0000 34423.1596 -149148.9059 300.6260 -183572.0655 -149044.9115 299.3390 -76.5966 -47.0983 558389.2160 -18.8152 -18.7861 LDB: ============= START OF LOAD BALANCING ============== 6039.33 LDB: ============== END OF LOAD BALANCING =============== 6039.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6039.33 LDB: ============= START OF LOAD BALANCING ============== 6039.63 LDB: Largest compute 4821 load 0.028379 is 24.0% of average load 0.118099 LDB: Average compute 0.001725 is 1.5% of average load 0.118099 LDB: TIME 6039.63 LOAD: AVG 0.118099 MAX 0.203721 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.969 MB LDB: TIME 6039.63 LOAD: AVG 0.118099 MAX 0.203721 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.996 MB LDB: TIME 6039.63 LOAD: AVG 0.118099 MAX 0.203721 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.996 MB LDB: ============== END OF LOAD BALANCING =============== 6039.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6039.64 PRESSURE: 2028400 22.2646 72.7609 181.789 72.76 7.27705 133.286 181.788 133.287 -145.833 GPRESSURE: 2028400 90.3707 101.353 161.556 23.7672 32.1455 38.6185 189.07 216.39 -145.478 PRESSAVG: 2028400 -17.0332 41.9411 48.6 41.9411 -39.1333 -59.2454 48.6 -59.2453 61.1492 GPRESSAVG: 2028400 -16.2114 45.6246 47.7908 42.0756 -40.3273 -59.1764 50.5025 -56.1619 61.2786 TIMING: 2028400 CPU: 6036.51, 0.00304465/step Wall: 6036.51, 0.00304465/step, 2.51319 hours remaining, 206.199219 MB of memory in use. ENERGY: 2028400 717.6145 2072.7221 1946.9686 102.2407 -205966.7597 17756.6703 0.0000 0.0000 34298.6602 -149071.8833 299.5387 -183370.5435 -148975.1976 299.9833 -38.7637 -7.6541 558347.2227 1.6609 1.5800 PRESSURE: 2028600 -211.745 17.8474 -52.3734 17.8477 -30.1401 -116.88 -52.3732 -116.879 50.3745 GPRESSURE: 2028600 -202.975 -19.5544 -17.2216 132.821 28.5485 -42.5047 -80.9927 -113.815 84.5906 PRESSAVG: 2028600 -38.673 18.9783 34.4487 18.9783 -7.21748 18.8428 34.4486 18.8429 41.783 GPRESSAVG: 2028600 -38.9685 15.1227 32.8458 20.0154 -7.63883 20.2344 34.9903 15.2298 41.6226 TIMING: 2028600 CPU: 6037.11, 0.00299736/step Wall: 6037.11, 0.00299736/step, 2.47398 hours remaining, 206.199219 MB of memory in use. ENERGY: 2028600 704.2261 2074.6179 1953.8284 114.8523 -205955.3298 17684.7017 0.0000 0.0000 34202.3276 -149220.7758 298.6974 -183423.1034 -149125.2459 299.3742 -63.8369 -29.9452 558611.7413 -1.3692 -1.6616 PRESSURE: 2028800 55.3427 -6.00722 18.317 -6.00462 22.3323 14.0398 18.3171 14.0383 -76.862 GPRESSURE: 2028800 86.6876 -3.92682 -24.2351 -31.6322 63.0927 -36.3826 47.3704 9.50834 -56.7721 PRESSAVG: 2028800 -38.9413 -20.1639 27.9581 -20.1639 9.10682 -18.8617 27.9581 -18.8616 45.7287 GPRESSAVG: 2028800 -39.2262 -18.4994 29.0737 -20.3478 8.64278 -21.4482 27.0446 -16.3106 46.4961 TIMING: 2028800 CPU: 6037.7, 0.00297188/step Wall: 6037.7, 0.00297188/step, 2.45279 hours remaining, 206.199219 MB of memory in use. ENERGY: 2028800 728.2195 2134.5001 1929.5792 123.7316 -206146.7306 17691.2193 0.0000 0.0000 34258.4589 -149281.0221 299.1876 -183539.4810 -149185.8112 299.6342 0.2710 31.0027 557222.9913 5.2981 5.3042 PRESSURE: 2029000 -65.1277 -39.528 132.269 -39.5282 92.3873 -39.7509 132.27 -39.7527 -280.989 GPRESSURE: 2029000 -77.9855 -2.87725 116.835 -53.6294 176.201 46.9931 109.506 -18.3773 -261.845 PRESSAVG: 2029000 -55.113 -31.6623 -11.1085 -31.6622 53.8835 29.1893 -11.1086 29.1894 32.1896 GPRESSAVG: 2029000 -54.4588 -33.0256 -10.4537 -31.0129 53.6425 31.0832 -12.4986 29.0668 31.7895 TIMING: 2029000 CPU: 6038.3, 0.0029913/step Wall: 6038.3, 0.0029913/step, 2.46866 hours remaining, 206.199219 MB of memory in use. ENERGY: 2029000 723.6189 2099.9916 1947.0920 121.4397 -206133.6907 17605.4389 0.0000 0.0000 34402.3813 -149233.7282 300.4446 -183636.1095 -149139.7435 299.0463 -84.5766 -54.5430 557120.7364 10.3200 10.3244 PRESSURE: 2029200 -59.8319 10.5274 58.6946 10.5271 -75.3024 -16.1394 58.6943 -16.1391 -198.02 GPRESSURE: 2029200 -44.8933 -56.8647 -27.0833 -33.3995 -18.4114 11.5034 50.986 -52.3653 -160.307 PRESSAVG: 2029200 -28.9524 -33.0638 43.5163 -33.0639 12.8558 15.8018 43.5163 15.8017 15.0542 GPRESSAVG: 2029200 -29.2787 -31.7866 44.3152 -35.4157 13.7316 16.3851 43.9317 12.3043 14.5417 TIMING: 2029200 CPU: 6038.9, 0.00299513/step Wall: 6038.9, 0.00299513/step, 2.47165 hours remaining, 206.199219 MB of memory in use. ENERGY: 2029200 746.8602 2107.1341 1942.9965 117.1849 -206026.0221 17575.5241 0.0000 0.0000 34302.6019 -149233.7204 299.5732 -183536.3223 -149132.3261 299.4341 -111.0513 -74.5373 557927.7942 -0.3475 -0.3351 PRESSURE: 2029400 -113.085 33.0134 -50.1149 33.0127 7.36193 118.928 -50.1135 118.928 -80.5317 GPRESSURE: 2029400 -45.1075 46.2583 25.8598 -14.5828 59.2322 220.267 -70.9958 89.9604 -103.087 PRESSAVG: 2029400 -12.9459 9.16857 -11.4946 9.16863 -15.9434 -27.643 -11.4947 -27.6431 20.3229 GPRESSAVG: 2029400 -13.5134 10.2437 -13.824 10.2351 -15.9886 -29.5838 -9.35639 -27.0715 20.8629 TIMING: 2029400 CPU: 6039.5, 0.00300037/step Wall: 6039.5, 0.00300037/step, 2.47581 hours remaining, 206.199219 MB of memory in use. ENERGY: 2029400 759.9403 2045.7012 1932.4104 117.6388 -206405.5071 17871.7443 0.0000 0.0000 34335.2034 -149342.8686 299.8579 -183678.0721 -149246.1342 299.1626 -62.0850 -29.6542 559310.7503 -2.8555 -2.8797 PRESSURE: 2029600 -34.5559 36.5162 -49.9298 36.516 94.4226 -56.7624 -49.93 -56.7624 -177.693 GPRESSURE: 2029600 -27.8806 35.8443 6.24911 31.4958 85.923 56.5192 -39.1821 -65.9999 -78.9137 PRESSAVG: 2029600 8.63641 6.51812 -12.0815 6.51814 22.8384 44.9466 -12.0815 44.9466 -3.38902 GPRESSAVG: 2029600 8.50397 8.09048 -13.2622 5.65869 22.458 45.5361 -12.6554 46.7374 -2.63354 TIMING: 2029600 CPU: 6040.1, 0.00301138/step Wall: 6040.1, 0.00301138/step, 2.48472 hours remaining, 206.199219 MB of memory in use. ENERGY: 2029600 733.6639 2112.8519 1929.6922 115.2460 -206365.0086 17898.2524 0.0000 0.0000 34205.9023 -149369.3999 298.7287 -183575.3022 -149274.5445 298.9924 -39.2755 -6.9571 558783.9911 9.3619 9.4428 PRESSURE: 2029800 -314.753 -18.456 177.259 -18.4561 49.9411 -45.3223 177.259 -45.3225 54.8709 GPRESSURE: 2029800 -306.941 58.4345 94.203 -61.2298 120.192 -21.9384 222.193 -62.1848 75.0324 PRESSAVG: 2029800 -48.5241 -16.249 19.3716 -16.249 -18.5034 -12.061 19.3716 -12.061 77.3239 GPRESSAVG: 2029800 -48.4741 -18.1909 20.4022 -17.3282 -17.1733 -11.3404 19.5515 -10.8763 76.5364 TIMING: 2029800 CPU: 6040.7, 0.00300324/step Wall: 6040.7, 0.00300324/step, 2.47784 hours remaining, 206.199219 MB of memory in use. ENERGY: 2029800 729.8767 2129.4616 1936.8017 106.6819 -205969.0952 17691.3227 0.0000 0.0000 34407.0119 -148967.9387 300.4850 -183374.9506 -148866.9154 299.3846 -69.9802 -37.2391 558787.8912 3.4322 3.6297 PRESSURE: 2030000 -262.344 -205.055 98.2212 -205.054 -124.529 11.438 98.22 11.4386 91.234 GPRESSURE: 2030000 -273.477 -196.131 72.7566 -210.496 -69.214 -26.1804 48.2173 -20.7954 146.271 PRESSAVG: 2030000 14.1096 -52.5452 7.23265 -52.5452 -41.5258 21.714 7.23271 21.714 60.3938 GPRESSAVG: 2030000 15.1298 -52.9216 9.50542 -52.7187 -41.5642 22.4866 7.82588 19.2863 59.9881 TIMING: 2030000 CPU: 6041.3, 0.00299286/step Wall: 6041.3, 0.00299286/step, 2.46911 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: 2030000 747.0937 2163.5506 1936.7620 127.6088 -205989.7749 17788.7851 0.0000 0.0000 34367.7325 -148858.2424 300.1420 -183225.9749 -148752.9589 300.1410 -98.5466 -65.4732 558446.8540 10.9925 11.1846 PRESSURE: 2030200 -144.48 -199.313 -115.42 -199.313 -191.502 66.4775 -115.422 66.4779 -13.4011 GPRESSURE: 2030200 -92.8397 -150.596 -148.492 -134.667 -139.051 91.8734 -82.8078 6.94014 -12.5766 PRESSAVG: 2030200 -3.75678 4.59712 -18.0152 4.59709 14.4399 -35.1627 -18.0152 -35.1628 -30.7175 GPRESSAVG: 2030200 -4.62036 5.2857 -20.5753 6.70435 14.7469 -38.4558 -17.6235 -33.8788 -30.3208 TIMING: 2030200 CPU: 6041.9, 0.00298518/step Wall: 6041.9, 0.00298518/step, 2.46261 hours remaining, 206.199219 MB of memory in use. ENERGY: 2030200 809.2149 2078.3597 1932.2582 120.5480 -205863.3866 17669.3006 0.0000 0.0000 34477.7792 -148775.9261 301.1030 -183253.7053 -148677.8802 299.6797 -116.4610 -81.4891 557943.8340 -6.6781 -6.7314 PRESSURE: 2030400 -44.9177 -66.1352 -5.79493 -66.1351 -88.1954 -151.003 -5.79385 -151.004 -38.1547 GPRESSURE: 2030400 -37.3506 -128.325 11.7765 -25.4664 -25.8053 -174.722 -59.9644 -96.7399 -12.4315 PRESSAVG: 2030400 2.16006 5.76643 17.6943 5.76638 -32.9119 -24.1277 17.6944 -24.1277 48.5513 GPRESSAVG: 2030400 2.32074 6.02381 19.2359 4.81232 -34.314 -21.6941 15.8845 -25.5119 49.1989 TIMING: 2030400 CPU: 6042.5, 0.00301209/step Wall: 6042.5, 0.00301209/step, 2.48464 hours remaining, 206.199219 MB of memory in use. ENERGY: 2030400 747.3688 2057.0152 1948.3197 109.3052 -205787.1603 17652.9649 0.0000 0.0000 34623.8391 -148648.3473 302.3786 -183272.1864 -148544.9608 300.9826 -57.0893 -25.1958 558803.7829 5.9331 5.7352 PRESSURE: 2030600 259.594 39.2913 44.2486 39.291 -39.5037 -59.4414 44.2498 -59.4422 174.017 GPRESSURE: 2030600 297.945 55.5152 25.4168 57.3125 14.759 -46.0915 31.7602 -12.936 190.662 PRESSAVG: 2030600 32.5661 -20.3368 31.2514 -20.3368 6.27651 14.7359 31.2514 14.736 -76.7191 GPRESSAVG: 2030600 32.8808 -20.906 28.5378 -20.2698 6.72045 14.076 34.4571 17.1181 -77.2492 TIMING: 2030600 CPU: 6043.1, 0.0030002/step Wall: 6043.1, 0.0030002/step, 2.47466 hours remaining, 206.199219 MB of memory in use. ENERGY: 2030600 746.1557 2082.2969 1916.5803 111.6362 -205878.7572 17755.0316 0.0000 0.0000 34505.2983 -148761.7584 301.3434 -183267.0567 -148665.0427 300.6012 131.3693 167.7884 557373.9014 -12.6255 -12.5493 PRESSURE: 2030800 112.433 29.4699 50.4586 29.4711 34.3273 176.885 50.4603 176.883 -27.4461 GPRESSURE: 2030800 126.752 24.4346 68.1503 33.956 95.1162 183.876 76.3209 129.059 -4.13501 PRESSAVG: 2030800 49.3751 -31.473 55.5278 -31.4729 1.52656 -19.1193 55.5278 -19.1193 -22.6478 GPRESSAVG: 2030800 48.5403 -30.962 57.5694 -31.0286 0.916866 -19.1311 53.9996 -21.2483 -21.7425 TIMING: 2030800 CPU: 6043.7, 0.00300585/step Wall: 6043.7, 0.00300585/step, 2.47916 hours remaining, 206.199219 MB of memory in use. ENERGY: 2030800 761.2090 2082.6389 1952.1069 120.8319 -205899.1536 17699.0695 0.0000 0.0000 34449.9481 -148833.3492 300.8600 -183283.2973 -148739.2400 300.5250 39.7714 72.5778 555446.7228 9.4180 9.2382 PRESSURE: 2031000 -251.107 -66.4056 221.784 -66.4052 157.819 -47.5456 221.785 -47.5461 179.012 GPRESSURE: 2031000 -212.895 -37.0316 238.151 -75.0835 241.359 -123.694 275.394 -26.8781 148.993 PRESSAVG: 2031000 -97.7008 6.35097 17.1184 6.35094 95.4674 -44.6437 17.1184 -44.6438 -3.38814 GPRESSAVG: 2031000 -95.7797 4.42333 16.0526 6.09015 95.0144 -43.698 16.36 -44.9339 -4.47614 TIMING: 2031000 CPU: 6044.3, 0.00299757/step Wall: 6044.3, 0.00299757/step, 2.47216 hours remaining, 206.199219 MB of memory in use. ENERGY: 2031000 769.4179 2088.0362 1927.2951 119.6555 -206145.3588 17843.0456 0.0000 0.0000 34417.9605 -148979.9480 300.5806 -183397.9084 -148883.8357 300.4097 28.5747 59.1524 557359.3886 -1.8739 -1.7471 PRESSURE: 2031200 130.849 -226.894 91.8053 -226.895 29.3109 7.37137 91.8049 7.37089 137.335 GPRESSURE: 2031200 134.891 -114.705 42.6435 -242.471 62.3667 12.93 103.235 -54.0373 212.098 PRESSAVG: 2031200 -75.198 -11.6997 22.4679 -11.6998 31.5395 -45.189 22.4679 -45.189 49.3287 GPRESSAVG: 2031200 -76.7139 -10.7911 23.3434 -11.9601 32.0898 -45.4191 22.2764 -45.3471 50.5228 TIMING: 2031200 CPU: 6044.9, 0.00300592/step Wall: 6044.9, 0.00300592/step, 2.47888 hours remaining, 206.199219 MB of memory in use. ENERGY: 2031200 717.8212 2087.2212 1969.6606 125.6024 -206183.7616 17819.1215 0.0000 0.0000 34658.0599 -148806.2749 302.6775 -183464.3347 -148710.2847 300.6393 99.1652 136.4520 556750.0726 1.8901 1.9662 PRESSURE: 2031400 -26.0206 98.3888 66.8996 98.3893 -150.641 77.2676 66.9 77.2676 60.2544 GPRESSURE: 2031400 -12.7117 39.1758 37.0988 75.4712 -103.602 54.443 42.7959 58.9004 99.2567 PRESSAVG: 2031400 3.44194 47.9171 -15.2959 47.9171 36.9862 -7.55414 -15.2958 -7.55398 -36.4361 GPRESSAVG: 2031400 3.36918 48.4992 -16.0263 47.0409 38.0604 -9.01519 -14.9979 -6.88429 -37.0903 TIMING: 2031400 CPU: 6045.5, 0.00299583/step Wall: 6045.5, 0.00299583/step, 2.47039 hours remaining, 206.199219 MB of memory in use. ENERGY: 2031400 749.7965 2159.0195 1937.1484 119.4386 -205681.7715 17647.9471 0.0000 0.0000 34261.9935 -148806.4279 299.2185 -183068.4214 -148712.8386 300.7968 -38.8024 -5.6856 559078.0369 1.3307 1.4464 PRESSURE: 2031600 36.063 -38.7886 44.3214 -38.7883 104.313 -74.4585 44.3217 -74.4583 124.314 GPRESSURE: 2031600 73.3356 30.4928 14.5431 -96.689 168.265 -34.2402 66.1464 -23.2587 115.905 PRESSAVG: 2031600 16.208 30.2763 45.1702 30.2763 -2.26176 -3.29726 45.1702 -3.2972 8.3974 GPRESSAVG: 2031600 16.7598 28.7126 47.1045 32.0937 -2.00562 -1.83256 44.0884 -3.17724 7.20986 TIMING: 2031600 CPU: 6046.1, 0.00299746/step Wall: 6046.1, 0.00299746/step, 2.47157 hours remaining, 206.199219 MB of memory in use. ENERGY: 2031600 728.5130 2030.1318 1932.7477 100.4897 -206054.4179 17915.4296 0.0000 0.0000 34620.6801 -148726.4260 302.3510 -183347.1061 -148630.8411 300.0679 88.2301 119.1687 558160.3282 7.4479 7.3213 PRESSURE: 2031800 -81.2522 -13.4718 -36.5248 -13.4737 -40.998 -178.327 -36.5243 -178.327 -176.2 GPRESSURE: 2031800 -87.1486 7.53066 -51.8035 -16.8412 -33.4253 -169.452 -62.6896 -165.237 -74.7766 PRESSAVG: 2031800 -5.16618 9.5028 -21.44 9.50277 -26.2762 -10.6715 -21.44 -10.6714 22.367 GPRESSAVG: 2031800 -4.13627 8.44203 -21.0537 9.19141 -28.2766 -10.4081 -20.3288 -10.6618 23.1733 TIMING: 2031800 CPU: 6046.7, 0.00301825/step Wall: 6046.7, 0.00301825/step, 2.48855 hours remaining, 206.199219 MB of memory in use. ENERGY: 2031800 759.9522 2093.0804 1957.9191 107.6150 -205672.4944 17664.0359 0.0000 0.0000 34441.5172 -148648.3748 300.7863 -183089.8919 -148554.4838 301.0220 -99.4834 -65.1168 558591.5214 -3.0251 -3.0799 PRESSURE: 2032000 224.315 8.90495 -77.8105 8.90623 141.613 -26.5816 -77.8106 -26.5788 -123.79 GPRESSURE: 2032000 281.39 -14.5744 -101.951 47.2299 146.704 -48.1227 -74.9205 -53.827 -99.5606 PRESSAVG: 2032000 -29.4057 -8.68232 -6.23651 -8.6824 30.2004 3.18851 -6.23651 3.18845 9.22113 GPRESSAVG: 2032000 -29.3201 -7.1371 -6.70461 -9.76031 30.0418 -0.470785 -7.01424 3.11663 9.25199 TIMING: 2032000 CPU: 6047.3, 0.00299667/step Wall: 6047.3, 0.00299667/step, 2.47059 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: 2032000 728.0908 2122.0563 1935.6161 115.9192 -205997.8998 17897.4645 0.0000 0.0000 34575.9873 -148622.7655 301.9607 -183198.7528 -148532.6649 301.4748 80.7129 109.5112 558324.2602 3.3386 3.3246 PRESSURE: 2032200 -172.479 -51.9713 57.6584 -51.971 -178.659 122.665 57.6587 122.666 -35.252 GPRESSURE: 2032200 -157.565 -97.5871 29.8879 -0.0254911 -117.58 123.885 62.4043 124.71 -12.7996 PRESSAVG: 2032200 47.5597 -18.7372 -35.2275 -18.7372 -52.5515 25.7167 -35.2275 25.7168 14.9876 GPRESSAVG: 2032200 47.8067 -17.4164 -36.8984 -18.7478 -50.6749 28.9686 -33.0567 23.1913 12.9542 TIMING: 2032200 CPU: 6047.9, 0.00297582/step Wall: 6047.9, 0.00297582/step, 2.45323 hours remaining, 206.265625 MB of memory in use. ENERGY: 2032200 740.1628 2153.5824 1921.6559 102.1215 -205595.1378 17466.0422 0.0000 0.0000 34269.4094 -148942.1637 299.2833 -183211.5731 -148853.3257 300.7801 -128.7966 -95.9814 556983.9809 3.3319 3.3620 LDB: ============= START OF LOAD BALANCING ============== 6051.32 LDB: ============== END OF LOAD BALANCING =============== 6051.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6051.33 LDB: ============= START OF LOAD BALANCING ============== 6051.62 LDB: Largest compute 4821 load 0.027478 is 23.3% of average load 0.118081 LDB: Average compute 0.001715 is 1.5% of average load 0.118081 LDB: TIME 6051.63 LOAD: AVG 0.118081 MAX 0.200355 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 6051.63 LOAD: AVG 0.118081 MAX 0.200355 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: TIME 6051.63 LOAD: AVG 0.118081 MAX 0.200355 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6051.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6051.63 PRESSURE: 2032400 58.6515 93.1779 -48.6125 93.1767 152.716 108.257 -48.6122 108.256 235.409 GPRESSURE: 2032400 62.0938 64.1449 -35.0628 92.4541 205.133 84.5738 -31.6213 126.029 280.134 PRESSAVG: 2032400 -7.13582 -11.2997 -7.8208 -11.2998 35.2547 -32.1697 -7.82072 -32.1698 -35.1378 GPRESSAVG: 2032400 -8.28566 -11.4846 -6.82439 -9.54162 34.596 -33.5355 -10.0857 -30.6427 -33.4423 TIMING: 2032400 CPU: 6048.5, 0.00301981/step Wall: 6048.5, 0.00301981/step, 2.48933 hours remaining, 208.445312 MB of memory in use. ENERGY: 2032400 706.6426 2106.8756 1921.3113 124.6963 -206085.0506 18004.5578 0.0000 0.0000 34317.8846 -148903.0823 299.7066 -183220.9669 -148813.6599 299.9909 148.9254 182.4536 558011.8386 -2.3396 -2.3773 PRESSURE: 2032600 244.012 43.982 -132.136 43.9818 244.716 -73.5413 -132.136 -73.5428 -144.62 GPRESSURE: 2032600 271.781 82.5596 -106.806 29.7171 286.435 -55.6975 -156.309 -190.942 -107.703 PRESSAVG: 2032600 10.8202 13.6658 62.1698 13.6658 25.4963 -14.3009 62.1698 -14.3011 -21.0279 GPRESSAVG: 2032600 11.6394 13.7343 62.2532 14.5344 25.5452 -13.0786 63.2354 -12.0665 -22.1098 TIMING: 2032600 CPU: 6049.1, 0.00297828/step Wall: 6049.1, 0.00297828/step, 2.45493 hours remaining, 208.515625 MB of memory in use. ENERGY: 2032600 726.0901 2084.3378 1914.4643 103.0329 -206267.9726 17925.8177 0.0000 0.0000 34510.2164 -149004.0136 301.3863 -183514.2300 -148900.1977 299.5055 114.7025 150.1713 557647.1826 5.0962 5.0249 PRESSURE: 2032800 -68.0929 7.13328 157.124 7.13269 66.3899 50.7513 157.123 50.7504 -20.1555 GPRESSURE: 2032800 -15.9504 54.8645 193.358 -51.532 50.2393 90.8193 43.8705 62.1123 44.4869 PRESSAVG: 2032800 -8.40724 21.5049 32.4672 21.505 -8.58268 -6.54932 32.4672 -6.54945 31.3069 GPRESSAVG: 2032800 -9.80878 21.0461 33.1894 18.798 -8.65116 -6.18768 32.1874 -6.97994 32.8827 TIMING: 2032800 CPU: 6049.69, 0.00297126/step Wall: 6049.69, 0.00297126/step, 2.44898 hours remaining, 208.515625 MB of memory in use. ENERGY: 2032800 796.4718 2041.6903 1901.2142 121.3214 -206015.0056 17774.4338 0.0000 0.0000 34271.3826 -149108.4916 299.3005 -183379.8741 -149004.7786 299.7073 -7.2861 26.2586 556059.2373 4.7723 4.8076 PRESSURE: 2033000 -196.083 0.713668 -63.4912 0.713391 89.9292 60.9568 -63.4921 60.9554 -3.9918 GPRESSURE: 2033000 -170.242 -44.8925 -108.941 -6.88642 105.059 62.6372 -30.7366 100.362 34.4118 PRESSAVG: 2033000 -3.34855 -5.92745 -8.91775 -5.92739 -18.3131 11.3944 -8.91774 11.3945 35.2856 GPRESSAVG: 2033000 -2.19108 -8.93874 -11.3456 -3.68958 -17.8106 10.4535 -8.64582 11.0806 33.6342 TIMING: 2033000 CPU: 6050.28, 0.00296248/step Wall: 6050.28, 0.00296248/step, 2.44157 hours remaining, 208.515625 MB of memory in use. ENERGY: 2033000 716.4236 2080.0125 1929.3722 101.9231 -206158.0456 17670.2743 0.0000 0.0000 34342.1617 -149317.8782 299.9186 -183660.0399 -149218.5527 300.0352 -36.7151 -10.2569 556607.2589 4.5413 4.5442 PRESSURE: 2033200 -338.886 91.3015 -184.071 91.3019 -77.4535 -99.615 -184.071 -99.6142 106.608 GPRESSURE: 2033200 -285.463 149.426 -126.988 55.0176 -75.7975 -79.6971 -216.753 -170.083 152.121 PRESSAVG: 2033200 -26.6919 19.8782 -82.6276 19.8783 1.45855 14.9017 -82.6275 14.9016 -19.4561 GPRESSAVG: 2033200 -25.7785 21.5142 -80.618 19.7838 -0.654604 14.9652 -83.7727 13.6989 -18.1487 TIMING: 2033200 CPU: 6050.88, 0.00297112/step Wall: 6050.88, 0.00297112/step, 2.44853 hours remaining, 208.515625 MB of memory in use. ENERGY: 2033200 710.1671 2039.6705 1913.0243 113.3301 -205926.6557 17544.8641 0.0000 0.0000 34378.8566 -149226.7429 300.2391 -183605.5996 -149132.8065 299.0695 -103.2437 -69.7131 558470.5890 -14.8965 -14.8606 PRESSURE: 2033400 -270.212 55.9635 -94.9681 55.9638 -158.721 -65.1378 -94.9683 -65.1385 9.09255 GPRESSURE: 2033400 -195.71 47.2916 -28.0899 85.7147 -149.54 -84.4414 -156.782 -59.6909 23.9781 PRESSAVG: 2033400 -52.9113 -7.70977 -56.5652 -7.70977 -13.3276 27.6572 -56.5652 27.6571 30.445 GPRESSAVG: 2033400 -52.9191 -5.77282 -57.9982 -8.0133 -11.5392 30.178 -54.6341 28.1238 28.8499 TIMING: 2033400 CPU: 6051.48, 0.00300351/step Wall: 6051.48, 0.00300351/step, 2.47506 hours remaining, 208.515625 MB of memory in use. ENERGY: 2033400 747.0040 2098.3573 1904.1833 114.9200 -205722.4753 17485.0446 0.0000 0.0000 34044.7523 -149328.2138 297.3213 -183372.9661 -149232.8390 299.1195 -139.9466 -107.0908 557812.1270 -11.9313 -11.8695 PRESSURE: 2033600 -31.7003 -93.0369 -97.9261 -93.0376 -92.8586 173.273 -97.9279 173.273 97.0405 GPRESSURE: 2033600 -14.0313 -145.323 -176.261 -4.42041 -33.7423 137.229 -69.0868 206.147 120.419 PRESSAVG: 2033600 42.1264 47.096 -83.25 47.0959 -61.6628 -25.6841 -83.2501 -25.684 38.3948 GPRESSAVG: 2033600 40.779 43.9814 -83.4161 47.7623 -61.1945 -27.2443 -83.563 -26.0871 39.4322 TIMING: 2033600 CPU: 6052.08, 0.00299628/step Wall: 6052.08, 0.00299628/step, 2.46894 hours remaining, 208.515625 MB of memory in use. ENERGY: 2033600 754.4179 2104.3302 1949.4777 110.2969 -206180.2942 17668.3996 0.0000 0.0000 34224.8065 -149368.5654 298.8937 -183593.3720 -149270.6549 299.0628 -9.1728 24.2151 557786.0961 6.2861 6.3389 PRESSURE: 2033800 -119.692 -106.629 -123.683 -106.628 -43.3363 78.8855 -123.682 78.8847 -141.448 GPRESSURE: 2033800 -107.809 -100.957 -229.528 -123.248 -7.57332 66.2816 -62.69 43.9981 -93.215 PRESSAVG: 2033800 16.8539 -2.41147 4.23702 -2.41146 -3.6317 -2.5086 4.23707 -2.50856 3.8213 GPRESSAVG: 2033800 17.952 0.688244 6.27772 -3.43835 -3.37205 -1.0281 2.74985 -3.36551 2.38099 TIMING: 2033800 CPU: 6052.67, 0.00297876/step Wall: 6052.67, 0.00297876/step, 2.45434 hours remaining, 208.515625 MB of memory in use. ENERGY: 2033800 737.5272 2096.8664 1971.9401 111.6953 -206030.1596 17689.5918 0.0000 0.0000 34209.8339 -149212.7049 298.7630 -183422.5389 -149115.5920 298.7490 -101.4918 -69.5323 557576.2907 5.6812 5.6536 PRESSURE: 2034000 -23.2881 -21.048 36.7448 -21.0474 26.0679 -69.8018 36.7453 -69.8024 193.327 GPRESSURE: 2034000 -25.6355 45.2815 -2.98998 -2.21626 114.878 -39.2232 3.92481 -75.8712 207.122 PRESSAVG: 2034000 38.5802 9.55885 -40.8033 9.55879 36.1231 -61.7253 -40.8033 -61.7253 -53.4026 GPRESSAVG: 2034000 38.8554 7.67801 -40.722 8.99202 34.822 -63.0268 -40.8165 -60.7624 -52.0965 TIMING: 2034000 CPU: 6053.27, 0.00298882/step Wall: 6053.27, 0.00298882/step, 2.46246 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: 2034000 763.8022 2033.8152 1958.0881 115.2157 -206303.3866 17852.3413 0.0000 0.0000 34278.1316 -149301.9926 299.3594 -183580.1242 -149206.5171 299.0252 65.3689 98.7885 556261.0086 7.1002 7.1936 PRESSURE: 2034200 -239.61 -1.57387 34.1272 -1.57434 139.421 162.889 34.1261 162.89 -80.274 GPRESSURE: 2034200 -247.823 -105.547 68.5462 122.93 192.642 151.781 -39.2964 136.536 -35.9936 PRESSAVG: 2034200 19.0067 -41.1791 -11.4021 -41.1791 33.1304 -22.403 -11.402 -22.4031 -49.4292 GPRESSAVG: 2034200 20.0172 -40.8043 -11.4305 -40.3564 33.0115 -22.4943 -12.4958 -21.3192 -49.5499 TIMING: 2034200 CPU: 6053.87, 0.00298932/step Wall: 6053.87, 0.00298932/step, 2.46271 hours remaining, 208.515625 MB of memory in use. ENERGY: 2034200 745.1914 2019.7339 1939.1105 105.7959 -206137.3071 17697.3141 0.0000 0.0000 34258.4787 -149371.6826 299.1878 -183630.1613 -149274.6218 298.0796 -60.1543 -30.3916 558179.2167 0.9026 1.1596 PRESSURE: 2034400 -13.2487 78.1797 -74.6287 78.1805 -66.9461 -59.2125 -74.6287 -59.2113 -201.588 GPRESSURE: 2034400 -26.4117 118.89 -40.5458 47.0972 15.4161 -103.799 -76.804 -19.9285 -161.98 PRESSAVG: 2034400 39.7053 -2.93867 -22.1766 -2.93861 -0.77341 -57.3531 -22.1766 -57.3531 -34.8902 GPRESSAVG: 2034400 38.9949 -4.22075 -22.8316 -3.26667 0.0457939 -55.915 -21.8836 -59.0919 -34.7633 TIMING: 2034400 CPU: 6054.47, 0.00298858/step Wall: 6054.47, 0.00298858/step, 2.46193 hours remaining, 208.515625 MB of memory in use. ENERGY: 2034400 748.6232 2076.7186 1927.1277 105.9835 -206131.1622 17724.7142 0.0000 0.0000 34131.1673 -149416.8277 298.0760 -183547.9950 -149318.3487 298.5411 -93.9277 -57.6584 556093.1946 1.3472 1.4258 PRESSURE: 2034600 46.7731 -75.627 -18.5554 -75.6261 -1.79646 -100.378 -18.5535 -100.379 237.103 GPRESSURE: 2034600 136.889 -49.9671 15.032 -102.439 0.709429 -158.872 -42.2336 -26.4082 244.846 PRESSAVG: 2034600 44.656 -18.3343 2.91673 -18.3344 -10.3501 21.9405 2.91679 21.9404 -10.1731 GPRESSAVG: 2034600 45.2495 -16.7942 1.38943 -16.1928 -9.53233 18.6259 2.73829 25.4226 -11.7885 TIMING: 2034600 CPU: 6055.06, 0.00297733/step Wall: 6055.06, 0.00297733/step, 2.4525 hours remaining, 208.515625 MB of memory in use. ENERGY: 2034600 764.5545 2060.1312 1925.7227 126.7150 -206750.0296 18034.8856 0.0000 0.0000 34380.9558 -149457.0648 300.2574 -183838.0206 -149361.7589 298.8924 94.0265 127.4812 555995.5648 8.0443 7.9762 PRESSURE: 2034800 -212.053 69.6423 -70.4854 69.6428 -166.655 87.6683 -70.4853 87.6675 -0.0503462 GPRESSURE: 2034800 -157.555 24.8211 -50.5475 37.7229 -141.928 27.1114 29.5998 75.6436 7.03501 PRESSAVG: 2034800 23.6562 -44.4626 -39.94 -44.4627 -48.973 -18.202 -39.94 -18.2021 -16.1323 GPRESSAVG: 2034800 23.9508 -45.1294 -39.7938 -45.2716 -50.1784 -15.4654 -37.9225 -20.4242 -14.8793 TIMING: 2034800 CPU: 6055.66, 0.00297863/step Wall: 6055.66, 0.00297863/step, 2.4534 hours remaining, 208.515625 MB of memory in use. ENERGY: 2034800 745.6128 2008.5418 1961.6811 132.1256 -206332.2078 17806.8520 0.0000 0.0000 34260.4932 -149416.9013 299.2054 -183677.3945 -149315.1327 299.0226 -126.2531 -97.4827 556670.6281 -13.8164 -13.7023 PRESSURE: 2035000 114.319 -66.1658 -215.08 -66.166 38.4324 -66.5057 -215.08 -66.5069 -182.609 GPRESSURE: 2035000 124.853 66.0639 -228.593 -109.705 48.1488 -81.5085 -197.505 -42.7847 -120.651 PRESSAVG: 2035000 47.521 0.483626 1.87096 0.483697 -46.2128 38.6758 1.87093 38.676 38.651 GPRESSAVG: 2035000 46.6702 2.33432 3.49359 0.709059 -45.2319 37.923 1.33261 37.4222 38.5555 TIMING: 2035000 CPU: 6056.26, 0.00298573/step Wall: 6056.26, 0.00298573/step, 2.45908 hours remaining, 208.515625 MB of memory in use. ENERGY: 2035000 789.9231 2036.7496 1983.6947 107.9465 -206746.5046 17999.9169 0.0000 0.0000 34431.5681 -149396.7056 300.6994 -183828.2738 -149294.5885 299.4700 -9.9525 17.4502 556532.0328 13.3197 13.3313 PRESSURE: 2035200 -19.5032 -128.096 -31.7467 -128.094 -105.957 90.2097 -31.7455 90.2101 -331.555 GPRESSURE: 2035200 -8.73146 -25.8717 13.1743 -239.995 -47.5855 106.294 -52.6983 90.8237 -305.283 PRESSAVG: 2035200 44.324 10.2534 -22.8297 10.2536 20.0296 -16.4024 -22.8299 -16.4024 -93.0629 GPRESSAVG: 2035200 43.9307 10.228 -22.8635 10.0872 20.2789 -17.725 -22.5383 -15.1846 -92.9736 TIMING: 2035200 CPU: 6056.85, 0.00299012/step Wall: 6056.85, 0.00299012/step, 2.46253 hours remaining, 208.515625 MB of memory in use. ENERGY: 2035200 758.5232 2087.2706 1961.5214 107.9256 -206233.2441 17730.7346 0.0000 0.0000 34164.4705 -149422.7982 298.3668 -183587.2687 -149331.2787 298.6623 -152.3384 -120.5332 559317.5947 -9.5697 -9.5880 PRESSURE: 2035400 -213.975 -186.361 103.081 -186.36 -6.02133 94.6194 103.083 94.6192 131.3 GPRESSURE: 2035400 -170.74 -183.658 94.1013 -128.912 -47.8115 83.1517 151.087 113.016 220.914 PRESSAVG: 2035400 45.1598 18.6636 -21.4189 18.6635 23.9504 -35.6182 -21.4188 -35.6181 -43.2556 GPRESSAVG: 2035400 46.5273 16.9402 -19.2829 17.2147 23.1859 -35.0523 -22.5753 -35.0755 -43.4144 TIMING: 2035400 CPU: 6057.45, 0.00296573/step Wall: 6057.45, 0.00296573/step, 2.44228 hours remaining, 208.515625 MB of memory in use. ENERGY: 2035400 747.8344 2062.3768 1940.3822 107.1672 -206762.2030 17920.6715 0.0000 0.0000 34350.1395 -149633.6313 299.9883 -183983.7708 -149534.2027 298.4700 -29.5654 0.7877 556332.1099 8.6182 8.7663 PRESSURE: 2035600 81.0015 -57.8049 -32.3316 -57.8046 -181.106 -96.9465 -32.331 -96.9462 113.764 GPRESSURE: 2035600 68.3153 -34.1479 -48.6792 -83.4419 -111.508 -80.1194 -7.89498 -130.194 144.705 PRESSAVG: 2035600 -16.4786 -29.3871 3.10163 -29.3871 -37.966 -40.163 3.10153 -40.163 67.1889 GPRESSAVG: 2035600 -17.6015 -28.638 -0.18535 -28.0589 -37.5871 -40.2537 3.18588 -40.0149 67.8522 TIMING: 2035600 CPU: 6058.04, 0.00297689/step Wall: 6058.04, 0.00297689/step, 2.45131 hours remaining, 208.515625 MB of memory in use. ENERGY: 2035600 759.9320 2093.9018 1925.3755 108.1656 -206473.5895 17769.0145 0.0000 0.0000 34241.7970 -149575.4031 299.0421 -183817.2002 -149479.8744 297.6184 4.5529 33.8376 555896.4391 4.2481 4.2212 PRESSURE: 2035800 -42.0753 -220.55 90.028 -220.549 65.218 100.714 90.0282 100.712 -319.846 GPRESSURE: 2035800 23.1305 -199.602 175.221 -232.064 115.528 94.2285 36.2253 114.588 -330.542 PRESSAVG: 2035800 4.83016 -44.7457 9.99112 -44.7457 91.8696 -5.45628 9.99106 -5.45629 -60.6805 GPRESSAVG: 2035800 6.09393 -45.0893 11.3281 -45.7061 91.1389 -3.74813 6.9303 -5.48075 -61.4356 TIMING: 2035800 CPU: 6058.64, 0.00299108/step Wall: 6058.64, 0.00299108/step, 2.46282 hours remaining, 208.515625 MB of memory in use. ENERGY: 2035800 755.5324 2093.1392 1942.7058 122.2530 -206160.6234 17631.3313 0.0000 0.0000 34137.8453 -149477.8164 298.1343 -183615.6617 -149370.0248 298.6485 -98.9009 -63.9609 556098.6292 12.0064 11.9324 PRESSURE: 2036000 -446.772 40.594 -71.1512 40.5943 -45.015 -184.162 -71.1518 -184.163 -241.573 GPRESSURE: 2036000 -391.43 141.474 -51.5473 95.1526 -53.977 -126.481 -40.076 -219.143 -187.846 PRESSAVG: 2036000 -71.619 -43.75 -0.796294 -43.7499 46.1152 -41.0828 -0.796425 -41.0828 -3.26587 GPRESSAVG: 2036000 -72.7117 -43.4093 -1.42064 -42.8526 45.8562 -42.1934 1.45685 -40.8303 -2.05265 TIMING: 2036000 CPU: 6059.24, 0.00299243/step Wall: 6059.24, 0.00299243/step, 2.46376 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: 2036000 744.2048 2058.2126 1986.1323 122.7844 -206160.1685 17536.3544 0.0000 0.0000 34351.0145 -149361.4655 299.9960 -183712.4801 -149260.4962 298.8488 -244.4531 -211.0841 557924.5454 -9.5899 -9.6361 PRESSURE: 2036200 157.524 -33.8069 28.3901 -33.8061 65.0718 -100.239 28.3917 -100.24 109.441 GPRESSURE: 2036200 149.342 -5.25301 4.45117 -19.4774 118.799 -54.8538 -2.21458 -68.9923 154.493 PRESSAVG: 2036200 72.9991 4.21763 27.3461 4.21764 -5.62063 -62.8664 27.3462 -62.8664 -18.3506 GPRESSAVG: 2036200 73.881 5.2714 28.6814 4.7221 -6.45308 -59.609 27.2719 -66.2734 -18.8873 TIMING: 2036200 CPU: 6059.84, 0.00298612/step Wall: 6059.84, 0.00298612/step, 2.45841 hours remaining, 208.515625 MB of memory in use. ENERGY: 2036200 755.7068 2098.7042 1961.3601 96.8030 -206376.9322 17980.9744 0.0000 0.0000 34223.0267 -149260.3569 298.8782 -183483.3837 -149166.5386 298.9048 110.6791 140.8780 556594.6365 16.3426 16.1802 LDB: ============= START OF LOAD BALANCING ============== 6063.26 LDB: ============== END OF LOAD BALANCING =============== 6063.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6063.27 LDB: ============= START OF LOAD BALANCING ============== 6063.56 LDB: Largest compute 4821 load 0.029111 is 24.7% of average load 0.118086 LDB: Average compute 0.001721 is 1.5% of average load 0.118086 LDB: TIME 6063.57 LOAD: AVG 0.118086 MAX 0.19854 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 6063.57 LOAD: AVG 0.118086 MAX 0.19854 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: TIME 6063.57 LOAD: AVG 0.118086 MAX 0.19854 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6063.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6063.57 PRESSURE: 2036400 94.7358 216.381 27.8529 216.38 -51.2682 8.86447 27.8521 8.86235 148.148 GPRESSURE: 2036400 166.823 230.108 62.8176 185.388 1.63917 66.9461 -107.046 -65.3555 125.907 PRESSAVG: 2036400 38.287 39.9783 5.8737 39.9783 -59.1169 -26.6163 5.87385 -26.6163 -11.7851 GPRESSAVG: 2036400 37.6947 38.175 4.96528 39.4114 -59.3961 -32.258 5.82301 -22.7497 -10.9936 TIMING: 2036400 CPU: 6060.44, 0.00302736/step Wall: 6060.44, 0.00302736/step, 2.49219 hours remaining, 205.359375 MB of memory in use. ENERGY: 2036400 742.2966 2129.2499 1937.7700 118.8948 -206028.6000 17848.3783 0.0000 0.0000 34074.4187 -149177.5917 297.5804 -183252.0104 -149084.6222 299.3972 63.8719 98.1231 556657.4641 -10.8717 -10.8983 PRESSURE: 2036600 30.8182 120.169 113.569 120.169 -250.7 9.54854 113.57 9.54621 -35.3166 GPRESSURE: 2036600 41.9383 85.1555 91.2778 155.855 -249.287 -9.28141 132.908 -4.48913 46.2258 PRESSAVG: 2036600 -1.3512 67.9084 45.5573 67.9083 31.5445 -16.7708 45.5573 -16.7708 -55.9656 GPRESSAVG: 2036600 -1.71725 69.3366 46.1394 66.4569 32.2916 -13.4423 44.9913 -18.6237 -56.7282 TIMING: 2036600 CPU: 6061.04, 0.00300132/step Wall: 6061.04, 0.00300132/step, 2.47059 hours remaining, 205.359375 MB of memory in use. ENERGY: 2036600 732.7762 2110.2620 1960.7153 121.9519 -205936.6077 17674.3480 0.0000 0.0000 34162.0307 -149174.5235 298.3455 -183336.5543 -149079.1326 299.5528 -85.0661 -53.7076 558198.3910 -8.5907 -8.7180 PRESSURE: 2036800 -78.3903 -7.71239 16.8911 -7.71128 -44.1707 -10.2291 16.892 -10.2283 -4.18238 GPRESSURE: 2036800 56.9742 -56.4239 -21.9287 2.05735 -48.7874 22.371 116.085 -37.5925 -27.7326 PRESSAVG: 2036800 -38.2106 22.239 4.9507 22.239 0.618976 0.744622 4.95069 0.744684 -2.36532 GPRESSAVG: 2036800 -39.0461 20.7025 4.71747 21.656 1.00619 0.523917 7.71861 0.93758 -2.02571 TIMING: 2036800 CPU: 6061.64, 0.00297289/step Wall: 6061.64, 0.00297289/step, 2.44702 hours remaining, 205.359375 MB of memory in use. ENERGY: 2036800 711.9287 2081.6233 1954.2892 117.1303 -206190.5317 17786.3150 0.0000 0.0000 34296.5640 -149242.6812 299.5204 -183539.2452 -149142.2517 298.7415 -42.2478 -6.5153 558135.3277 -13.3190 -13.3552 PRESSURE: 2037000 -113.496 140.593 -86.9626 140.593 120.551 131.146 -86.9625 131.144 -316.376 GPRESSURE: 2037000 -98.1737 123.472 -46.5066 151.801 118.653 126.142 -111.423 137.872 -229.55 PRESSAVG: 2037000 8.83139 -51.1954 -10.7503 -51.1953 75.3547 -0.0998886 -10.7503 -0.0999554 -41.3948 GPRESSAVG: 2037000 9.68646 -51.1958 -10.1087 -48.8947 75.8271 1.40129 -12.6988 -0.0579531 -42.6081 TIMING: 2037000 CPU: 6062.24, 0.00300977/step Wall: 6062.24, 0.00300977/step, 2.47721 hours remaining, 205.359375 MB of memory in use. ENERGY: 2037000 755.2237 2151.4541 1957.6237 106.9766 -206366.9412 17742.1164 0.0000 0.0000 34208.2140 -149445.3326 298.7488 -183653.5466 -149354.3697 299.4799 -103.1067 -69.6904 557870.3811 14.2638 14.3018 PRESSURE: 2037200 -256.068 -64.3841 -149.302 -64.3846 -75.6011 -147.184 -149.302 -147.184 -153.016 GPRESSURE: 2037200 -215.789 -62.2703 -126.297 -88.2547 -84.8401 -137.245 -115.969 -265.417 -89.8551 PRESSAVG: 2037200 10.8268 -19.3296 -35.5124 -19.3296 25.8482 21.035 -35.5125 21.035 -78.6722 GPRESSAVG: 2037200 10.2489 -18.7432 -36.6108 -19.3111 25.5255 19.3438 -36.6793 20.9547 -76.768 TIMING: 2037200 CPU: 6062.84, 0.00301788/step Wall: 6062.84, 0.00301788/step, 2.48371 hours remaining, 205.359375 MB of memory in use. ENERGY: 2037200 759.5137 2171.8002 1925.3381 103.0120 -206060.2995 17695.5933 0.0000 0.0000 33999.6947 -149405.3475 296.9278 -183405.0422 -149317.4656 298.1253 -161.5615 -130.1614 558232.9081 -13.9991 -13.6645 PRESSURE: 2037400 -52.6437 76.1714 -47.8016 76.1711 357.998 -28.7525 -47.8016 -28.7541 422.231 GPRESSURE: 2037400 36.6975 -7.08125 -99.3235 37.4301 361.569 -13.273 -21.9361 -15.5125 427.844 PRESSAVG: 2037400 15.6765 -57.0239 4.51247 -57.024 5.17472 -46.3945 4.51254 -46.3945 -46.9475 GPRESSAVG: 2037400 17.5273 -56.4744 5.12565 -59.5187 3.86031 -45.2657 5.13495 -46.5342 -46.9679 TIMING: 2037400 CPU: 6063.44, 0.00301008/step Wall: 6063.44, 0.00301008/step, 2.47713 hours remaining, 205.359375 MB of memory in use. ENERGY: 2037400 660.6642 2158.7113 1966.9954 117.7172 -206681.2227 18066.2430 0.0000 0.0000 34199.9932 -149510.8983 298.6770 -183710.8915 -149420.3139 297.5006 242.5285 275.3703 556621.8255 -8.6988 -8.5268 PRESSURE: 2037600 268.048 117.608 -138.112 117.609 80.2727 50.8978 -138.113 50.8968 311.468 GPRESSURE: 2037600 266.651 198.797 -112.802 83.5175 158.716 -67.0429 -123.573 151.849 335.516 PRESSAVG: 2037600 -17.7583 -30.0637 48.3362 -30.0637 10.81 -17.1215 48.3362 -17.1217 16.9201 GPRESSAVG: 2037600 -18.5809 -29.2237 49.0152 -29.8233 11.4669 -19.1338 47.1367 -15.1074 16.5811 TIMING: 2037600 CPU: 6064.05, 0.00300224/step Wall: 6064.05, 0.00300224/step, 2.47051 hours remaining, 205.359375 MB of memory in use. ENERGY: 2037600 767.4216 2068.1227 1930.0140 110.8812 -207083.9073 18119.7673 0.0000 0.0000 34521.6564 -149566.0441 301.4862 -184087.7005 -149468.3745 299.0713 219.9296 253.6277 554811.5799 3.3239 3.1557 PRESSURE: 2037800 -158.126 -29.9193 118.789 -29.9202 -210.596 153.264 118.79 153.264 -181.01 GPRESSURE: 2037800 -125.045 17.9446 11.4871 -54.842 -196.847 160.09 90.4662 154.22 -124.656 PRESSAVG: 2037800 -23.9468 52.9456 -22.6042 52.9456 26.1506 25.3201 -22.6042 25.3202 10.7279 GPRESSAVG: 2037800 -22.4469 51.9723 -24.7843 55.9927 26.6091 26.3433 -20.3121 23.9764 8.94168 TIMING: 2037800 CPU: 6064.65, 0.00300938/step Wall: 6064.65, 0.00300938/step, 2.47622 hours remaining, 205.359375 MB of memory in use. ENERGY: 2037800 768.6618 2081.4744 1930.4201 112.5335 -206489.3860 17606.7034 0.0000 0.0000 34301.3689 -149688.2240 299.5624 -183989.5929 -149597.7317 298.7270 -183.2439 -148.8492 557677.9305 4.3105 4.3680 PRESSURE: 2038000 -144.873 72.4672 167.695 72.4672 -221.818 85.4602 167.697 85.4591 -130.796 GPRESSURE: 2038000 -170.993 -8.37027 176.186 102.609 -167.113 33.5697 157.865 69.5373 -64.4205 PRESSAVG: 2038000 21.2616 43.2841 6.17824 43.284 -1.5628 -6.17843 6.1783 -6.17851 -3.57138 GPRESSAVG: 2038000 20.6942 42.8185 6.80249 40.3506 -2.39476 -7.78598 5.35921 -7.34417 -2.07271 TIMING: 2038000 CPU: 6065.25, 0.00301708/step Wall: 6065.25, 0.00301708/step, 2.48238 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: 2038000 739.1939 2051.2193 1962.9336 127.5353 -206468.6133 17695.8657 0.0000 0.0000 34290.0512 -149601.8144 299.4635 -183891.8656 -149504.9933 298.2610 -165.8290 -134.1756 558344.6064 5.3758 5.4089 PRESSURE: 2038200 -89.1893 35.6267 21.4784 35.6271 -24.0667 -11.759 21.4782 -11.7584 42.9853 GPRESSURE: 2038200 -53.3078 118.932 47.6208 -32.9448 16.271 -24.1847 13.9114 -44.1497 62.4118 PRESSAVG: 2038200 -22.7177 20.1653 64.2324 20.1653 -68.302 -1.27731 64.2324 -1.2773 42.1573 GPRESSAVG: 2038200 -23.2429 20.7651 64.9997 22.1393 -67.4756 0.778583 64.9693 -1.69483 41.5381 TIMING: 2038200 CPU: 6065.85, 0.00301196/step Wall: 6065.85, 0.00301196/step, 2.478 hours remaining, 205.359375 MB of memory in use. ENERGY: 2038200 759.6029 2098.6413 1941.8649 126.9892 -206570.1966 17829.1877 0.0000 0.0000 34285.2833 -149528.6275 299.4219 -183813.9108 -149431.9110 298.8226 -23.4236 8.4583 556619.8984 -16.2875 -16.3934 PRESSURE: 2038400 -158.342 -130.234 -35.6431 -130.234 -61.9809 -221.481 -35.6437 -221.48 -149.038 GPRESSURE: 2038400 -95.535 -159.826 -45.556 -141.774 -32.964 -235.565 -49.6553 -152.891 -137.534 PRESSAVG: 2038400 -62.7234 -38.3709 -0.10696 -38.3708 10.0957 -44.3268 -0.106966 -44.3267 11.6517 GPRESSAVG: 2038400 -62.6258 -38.2292 1.11061 -40.021 9.78613 -44.305 -1.63055 -42.9372 11.2109 TIMING: 2038400 CPU: 6066.45, 0.00300325/step Wall: 6066.45, 0.00300325/step, 2.47067 hours remaining, 205.359375 MB of memory in use. ENERGY: 2038400 739.0461 2164.4353 1921.9095 132.2249 -206335.7372 17699.3652 0.0000 0.0000 34150.5776 -149528.1787 298.2455 -183678.7563 -149431.0253 298.7492 -123.1203 -88.6776 557041.2391 -13.6587 -13.8763 PRESSURE: 2038600 29.5232 -64.4281 15.2852 -64.4271 -59.0261 74.9446 15.2868 74.9466 -130.843 GPRESSURE: 2038600 35.47 -33.4202 83.1672 -163.537 -44.3435 -29.551 -51.5856 84.39 -56.9224 PRESSAVG: 2038600 -9.68613 -35.6571 -1.54011 -35.6572 -0.918067 5.71764 -1.54007 5.71759 33.1036 GPRESSAVG: 2038600 -8.45132 -36.4473 -2.87458 -33.2557 -3.25133 3.9321 -1.82549 7.42053 34.4438 TIMING: 2038600 CPU: 6067.05, 0.00298697/step Wall: 6067.05, 0.00298697/step, 2.45711 hours remaining, 205.359375 MB of memory in use. ENERGY: 2038600 757.3054 2161.3216 1924.3740 112.7328 -206411.0056 17695.0967 0.0000 0.0000 34045.3138 -149714.8614 297.3262 -183760.1751 -149623.0904 298.3448 -53.4486 -21.9320 555768.2911 7.4998 7.5804 PRESSURE: 2038800 3.11882 96.2491 163.264 96.2491 -152.438 -45.6611 163.265 -45.6608 -169.09 GPRESSURE: 2038800 -16.3923 -0.862174 127.364 87.1371 -114.756 -34.5717 95.8849 -17.0916 -100.002 PRESSAVG: 2038800 -15.2952 -9.63174 12.047 -9.63168 -59.2145 14.7391 12.047 14.7391 57.5427 GPRESSAVG: 2038800 -15.8497 -8.58693 9.97176 -10.5449 -58.758 15.4238 13.2072 12.7376 58.3532 TIMING: 2038800 CPU: 6067.65, 0.00300261/step Wall: 6067.65, 0.00300261/step, 2.46981 hours remaining, 205.359375 MB of memory in use. ENERGY: 2038800 725.2908 2100.0224 1927.8843 103.4078 -206578.1285 17710.9062 0.0000 0.0000 34177.0907 -149833.5264 298.4770 -184010.6170 -149729.8960 297.5891 -106.1364 -77.0499 555987.8513 -5.6557 -5.4182 PRESSURE: 2039000 -235.172 122.835 -41.9761 122.834 -350.551 -2.05105 -41.9758 -2.0493 -268.271 GPRESSURE: 2039000 -210.363 27.341 -60.0781 151.706 -292.826 -27.8721 -98.1107 89.3972 -252.043 PRESSAVG: 2039000 16.0052 14.1184 -35.2852 14.1184 55.9459 -21.1857 -35.2852 -21.1857 -32.9614 GPRESSAVG: 2039000 16.438 12.5644 -34.3214 14.5532 56.9221 -20.4628 -35.3602 -21.9367 -34.1509 TIMING: 2039000 CPU: 6068.25, 0.00301362/step Wall: 6068.25, 0.00301362/step, 2.47871 hours remaining, 205.359375 MB of memory in use. ENERGY: 2039000 768.3056 2097.1289 1965.6272 109.3343 -206003.8221 17496.7944 0.0000 0.0000 33895.3565 -149671.2752 296.0166 -183566.6316 -149569.0161 297.4840 -284.6645 -251.7441 555851.4042 12.9966 13.0697 PRESSURE: 2039200 -56.4543 281.553 -133.303 281.553 74.2543 -0.627192 -133.302 -0.627576 137.526 GPRESSURE: 2039200 49.0718 246.387 -194.027 346.01 36.6483 -1.6347 -100.243 -16.8089 157.897 PRESSAVG: 2039200 -11.9738 12.5211 -26.7888 12.5211 16.8171 -41.6845 -26.7888 -41.6844 33.6738 GPRESSAVG: 2039200 -12.0616 14.0955 -27.8027 10.3534 16.1703 -39.9533 -27.1491 -42.0387 34.5294 TIMING: 2039200 CPU: 6068.85, 0.00297358/step Wall: 6068.85, 0.00297358/step, 2.44561 hours remaining, 205.359375 MB of memory in use. ENERGY: 2039200 736.3970 2093.9547 1934.0062 105.1736 -206745.6471 18042.6415 0.0000 0.0000 33960.8786 -149872.5955 296.5888 -183833.4740 -149770.5117 297.0014 51.7753 81.2058 555990.7017 12.8390 12.8793 PRESSURE: 2039400 58.6437 64.4871 46.9084 64.4884 163.626 146.958 46.9089 146.958 103.333 GPRESSURE: 2039400 77.559 -23.8677 69.8733 151.175 258.545 103.969 46.2533 83.2489 84.1996 PRESSAVG: 2039400 -6.10194 30.2973 -20.1219 30.2973 13.3822 2.6796 -20.1219 2.67951 14.0977 GPRESSAVG: 2039400 -6.87702 30.3932 -17.8794 31.7938 15.505 -0.104889 -19.6494 4.94158 12.4455 TIMING: 2039400 CPU: 6069.45, 0.00299345/step Wall: 6069.45, 0.00299345/step, 2.46178 hours remaining, 205.359375 MB of memory in use. ENERGY: 2039400 720.0607 2034.3501 1938.2569 103.7391 -206813.6600 18008.7103 0.0000 0.0000 34078.8217 -149929.7212 297.6188 -184008.5429 -149828.0886 296.8203 108.5342 140.1013 556793.7244 7.1260 7.0245 PRESSURE: 2039600 -8.28742 230.325 -81.9098 230.326 -7.21514 -14.1518 -81.9101 -14.1528 250.293 GPRESSURE: 2039600 16.8513 237.438 -174.552 199.156 -22.5852 -25.5841 -12.8733 -50.0276 330.973 PRESSAVG: 2039600 -37.0317 -17.3166 -20.9443 -17.3166 -12.1168 -25.8393 -20.9444 -25.8394 33.7216 GPRESSAVG: 2039600 -37.5403 -17.2176 -20.8552 -18.5984 -12.6194 -25.1694 -20.5936 -27.1825 34.9636 TIMING: 2039600 CPU: 6070.04, 0.00297847/step Wall: 6070.04, 0.00297847/step, 2.4493 hours remaining, 205.359375 MB of memory in use. ENERGY: 2039600 705.6853 2091.2449 1936.9507 123.3672 -206407.5735 17671.3215 0.0000 0.0000 34114.3020 -149764.7019 297.9287 -183879.0039 -149669.9722 297.3458 78.2635 108.4131 555449.6318 -5.1423 -5.0654 PRESSURE: 2039800 116.737 -5.00622 -46.3484 -5.00659 75.9477 7.50982 -46.3505 7.50906 212.227 GPRESSURE: 2039800 125.658 -2.15645 -52.4256 17.1841 95.1996 -11.9699 -61.826 3.95892 277.254 PRESSAVG: 2039800 4.85929 30.5194 -5.67567 30.5193 23.9555 -7.39555 -5.67562 -7.39549 -0.253125 GPRESSAVG: 2039800 6.55025 29.2817 -6.56546 31.2753 22.2321 -7.5842 -4.46801 -6.38146 -0.753344 TIMING: 2039800 CPU: 6070.65, 0.00300923/step Wall: 6070.65, 0.00300923/step, 2.47443 hours remaining, 205.359375 MB of memory in use. ENERGY: 2039800 723.1217 2041.0551 1924.3766 112.2502 -206916.4298 18197.2068 0.0000 0.0000 34238.8040 -149679.6155 299.0160 -183918.4194 -149584.5498 297.6173 134.9705 166.0373 556322.8689 9.5206 9.3430 PRESSURE: 2040000 -60.8227 -153.342 -184.086 -153.342 -226.213 35.2251 -184.086 35.2254 -74.8277 GPRESSURE: 2040000 -60.4634 -96.1603 -152.387 -208.49 -169.31 69.2408 -253.351 -25.6932 -54.7638 PRESSAVG: 2040000 17.7961 -71.4895 -11.8052 -71.4896 -15.3525 -24.7413 -11.8052 -24.7413 20.7432 GPRESSAVG: 2040000 17.798 -70.9799 -12.188 -70.4192 -14.8512 -24.0362 -12.9929 -23.0705 20.3933 TIMING: 2040000 CPU: 6071.25, 0.00302233/step Wall: 6071.25, 0.00302233/step, 2.48503 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: 2040000 761.0052 2055.5716 1935.0792 114.8320 -205931.0696 17480.7899 0.0000 0.0000 34224.2437 -149359.5480 298.8888 -183583.7917 -149268.9292 298.3132 -120.6210 -94.8457 556474.7893 7.7289 7.7800 PRESSURE: 2040200 -67.8547 -44.4376 -142.154 -44.4371 123.282 -82.7506 -142.156 -82.7504 -132.32 GPRESSURE: 2040200 -91.373 -0.912218 -119.105 -4.59389 196.011 -172.802 -157.687 -153.584 -88.8054 PRESSAVG: 2040200 5.403 -7.80781 -52.4179 -7.80774 11.7881 -61.877 -52.4178 -61.877 -19.7933 GPRESSAVG: 2040200 5.37237 -6.47454 -51.4445 -9.55115 12.4504 -61.9646 -52.7814 -62.5592 -20.0313 TIMING: 2040200 CPU: 6071.84, 0.00297045/step Wall: 6071.84, 0.00297045/step, 2.4422 hours remaining, 205.359375 MB of memory in use. ENERGY: 2040200 781.4132 2105.7905 1925.6632 119.4812 -206376.1326 17865.0355 0.0000 0.0000 34292.4934 -149286.2557 299.4849 -183578.7491 -149193.6787 299.6344 -25.6307 5.2776 557302.8797 -0.8674 -0.7362 LDB: ============= START OF LOAD BALANCING ============== 6075.27 LDB: ============== END OF LOAD BALANCING =============== 6075.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6075.28 LDB: ============= START OF LOAD BALANCING ============== 6075.58 LDB: Largest compute 4821 load 0.029195 is 24.7% of average load 0.118058 LDB: Average compute 0.001724 is 1.5% of average load 0.118058 LDB: TIME 6075.58 LOAD: AVG 0.118058 MAX 0.199747 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 6075.58 LOAD: AVG 0.118058 MAX 0.199747 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.871 MB LDB: TIME 6075.58 LOAD: AVG 0.118058 MAX 0.199747 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6075.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6075.59 PRESSURE: 2040400 -300.553 56.2392 78.2026 56.239 -253.301 5.74104 78.2033 5.74025 -237.343 GPRESSURE: 2040400 -257.553 63.2862 62.9948 54.1812 -211.916 -0.582499 49.9187 -27.1556 -220.704 PRESSAVG: 2040400 -16.2744 21.6732 -23.1553 21.6732 19.7435 -29.0503 -23.1553 -29.0503 -29.9441 GPRESSAVG: 2040400 -16.6428 20.9994 -22.9708 19.7617 18.8723 -28.6833 -22.4869 -30.0295 -28.5182 TIMING: 2040400 CPU: 6072.46, 0.00306571/step Wall: 6072.46, 0.00306571/step, 2.52036 hours remaining, 206.898438 MB of memory in use. ENERGY: 2040400 768.6405 2064.5146 1940.7702 103.6498 -206062.7381 17569.4550 0.0000 0.0000 34221.5225 -149394.1854 298.8651 -183615.7079 -149295.8806 299.4387 -263.7326 -230.0578 558263.0984 -8.8250 -8.7629 PRESSURE: 2040600 -102.452 156.758 -136.182 156.758 -126.859 -154.217 -136.183 -154.217 -88.1149 GPRESSURE: 2040600 -99.9594 90.1227 -124.171 211.641 -66.5394 -129.181 -141.033 -225.716 -42.7107 PRESSAVG: 2040600 43.9731 -18.6366 -50.435 -18.6367 -12.2571 -8.86346 -50.4349 -8.86365 -23.8636 GPRESSAVG: 2040600 45.0737 -19.5789 -49.3667 -16.2979 -12.5493 -10.2432 -51.3515 -7.82405 -25.0681 TIMING: 2040600 CPU: 6073.06, 0.0030049/step Wall: 6073.06, 0.0030049/step, 2.47019 hours remaining, 206.968750 MB of memory in use. ENERGY: 2040600 738.7127 2126.4910 1945.0421 112.3947 -206119.4307 17583.7964 0.0000 0.0000 34182.2245 -149430.7692 298.5219 -183612.9938 -149332.2453 298.3648 -105.8086 -69.7365 557449.5627 2.6175 2.4854 PRESSURE: 2040800 5.60893 140.223 -103.419 140.223 208.756 46.4184 -103.419 46.418 -396.887 GPRESSURE: 2040800 62.7346 133.848 -106.735 120.312 180.641 28.5023 -59.1419 15.5795 -329.374 PRESSAVG: 2040800 48.9296 24.9324 -65.6618 24.9324 -54.5626 13.8635 -65.6618 13.8637 11.8223 GPRESSAVG: 2040800 49.2046 26.4822 -68.0555 24.8055 -54.6951 14.0604 -65.1406 13.7063 11.7896 TIMING: 2040800 CPU: 6073.65, 0.00298467/step Wall: 6073.65, 0.00298467/step, 2.4534 hours remaining, 206.968750 MB of memory in use. ENERGY: 2040800 756.1557 2085.1029 1943.5694 118.3970 -206287.0079 17862.0895 0.0000 0.0000 34199.3876 -149322.3057 298.6718 -183521.6934 -149229.5553 298.9051 -60.8406 -28.6662 558026.3340 2.0631 2.0997 PRESSURE: 2041000 107.961 -59.682 -90.2985 -59.6802 -182.199 5.45607 -90.2988 5.45567 -30.0357 GPRESSURE: 2041000 80.5587 -94.3774 -26.7238 30.094 -162.374 -45.3073 -109.498 106.582 62.106 PRESSAVG: 2041000 42.2535 -17.8563 10.8381 -17.8564 -1.04637 -1.7921 10.8381 -1.79202 -28.9639 GPRESSAVG: 2041000 41.5474 -18.6504 12.2905 -17.5795 -1.02943 -2.42073 9.20742 -1.2798 -28.4809 TIMING: 2041000 CPU: 6074.26, 0.00301738/step Wall: 6074.26, 0.00301738/step, 2.48012 hours remaining, 206.968750 MB of memory in use. ENERGY: 2041000 739.3158 2001.4714 1951.2266 121.0386 -206197.5886 17731.2188 0.0000 0.0000 34284.3800 -149368.9375 299.4140 -183653.3174 -149273.0104 299.8116 -34.7581 -6.5698 556692.0915 4.0811 4.0124 PRESSURE: 2041200 12.5715 -67.4028 49.8521 -67.4027 37.4544 -15.9185 49.8508 -15.9171 -102.306 GPRESSURE: 2041200 54.5943 -136.041 -17.3233 -49.3579 92.8124 48.53 -6.71947 -19.6269 -98.6996 PRESSAVG: 2041200 42.8851 -35.5026 14.6703 -35.5025 -26.0563 8.51951 14.6703 8.51948 7.76804 GPRESSAVG: 2041200 43.0541 -33.7945 15.8361 -36.8238 -25.8154 9.5148 15.2887 8.25595 7.61151 TIMING: 2041200 CPU: 6074.86, 0.00299422/step Wall: 6074.86, 0.00299422/step, 2.46091 hours remaining, 206.968750 MB of memory in use. ENERGY: 2041200 746.3208 2045.4184 1983.2598 116.7610 -206348.0337 17802.8352 0.0000 0.0000 34214.6294 -149438.8089 298.8049 -183653.4383 -149335.1256 299.6382 -17.4266 16.2357 556920.9393 8.1989 8.2834 PRESSURE: 2041400 -12.6171 84.4602 -28.6598 84.4602 25.419 170.411 -28.6581 170.412 9.10881 GPRESSURE: 2041400 12.6314 119.762 -41.8268 111.324 70.3209 53.3965 -83.3931 98.8617 51.9965 PRESSAVG: 2041400 20.1247 0.231743 71.6435 0.231703 -10.7982 -6.45794 71.6436 -6.45791 1.99683 GPRESSAVG: 2041400 20.1904 0.809064 69.3946 1.2416 -10.4615 -6.84463 72.4327 -7.11874 1.45447 TIMING: 2041400 CPU: 6075.45, 0.0029844/step Wall: 6075.45, 0.0029844/step, 2.45268 hours remaining, 206.968750 MB of memory in use. ENERGY: 2041400 727.8167 2110.9061 1926.7197 106.9596 -206594.5479 18077.5561 0.0000 0.0000 34303.3792 -149341.2105 299.5799 -183644.5897 -149247.7673 298.9272 7.3036 44.9829 557009.9704 3.7744 3.7278 PRESSURE: 2041600 212.455 196.021 140.137 196.022 188.81 134.997 140.137 134.998 12.3486 GPRESSURE: 2041600 256.304 135.564 160.164 215.467 123.991 131.65 112.559 42.8124 118.858 PRESSAVG: 2041600 4.21254 13.7809 46.1107 13.7809 12.1954 41.4834 46.1109 41.4832 0.703078 GPRESSAVG: 2041600 4.10554 10.9866 46.007 13.264 11.4467 41.0102 44.8235 40.9976 1.4017 TIMING: 2041600 CPU: 6076.05, 0.00296394/step Wall: 6076.05, 0.00296394/step, 2.4357 hours remaining, 206.968750 MB of memory in use. ENERGY: 2041600 766.7208 2071.3269 1922.0686 112.0633 -206641.2282 18059.1280 0.0000 0.0000 34472.8044 -149237.1161 301.0596 -183709.9205 -149140.5340 299.5912 137.8710 166.3843 557037.6389 5.7037 5.6513 PRESSURE: 2041800 15.0865 -56.9028 56.3202 -56.9038 -142.759 16.5887 56.3203 16.5884 -156.173 GPRESSURE: 2041800 56.0868 -152.325 3.90835 10.3031 -71.4687 -21.195 47.1799 -6.90139 -162.851 PRESSAVG: 2041800 -14.8579 44.4463 18.247 44.4462 15.4645 32.1791 18.2469 32.1791 -10.2055 GPRESSAVG: 2041800 -14.4521 44.63 20.622 44.1455 16.6301 33.5073 19.377 30.0892 -11.0556 TIMING: 2041800 CPU: 6076.64, 0.00296877/step Wall: 6076.64, 0.00296877/step, 2.43951 hours remaining, 206.968750 MB of memory in use. ENERGY: 2041800 777.1098 2054.4061 1964.5579 112.3260 -206103.5588 17638.4742 0.0000 0.0000 34292.3927 -149264.2921 299.4840 -183556.6848 -149157.2391 300.0664 -94.6153 -59.4111 556667.2566 -3.1996 -2.9592 PRESSURE: 2042000 -138.533 8.59313 -197.595 8.59224 -308.051 -84.5771 -197.594 -84.578 6.37408 GPRESSURE: 2042000 -89.6631 81.363 -144.324 25.3767 -260.163 -83.679 -236.159 -72.1001 -1.03404 PRESSAVG: 2042000 -13.5283 -1.31745 0.524395 -1.31749 -55.7964 10.7791 0.52443 10.779 55.9237 GPRESSAVG: 2042000 -14.8673 0.800367 -0.6818 -0.657466 -54.4795 13.6913 0.424177 10.9622 56.2699 TIMING: 2042000 CPU: 6077.24, 0.00299743/step Wall: 6077.24, 0.00299743/step, 2.46289 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: 2042000 748.2012 2127.0128 1948.3773 108.2172 -206107.5528 17560.9702 0.0000 0.0000 34296.4492 -149318.3248 299.5194 -183614.7740 -149217.1213 299.3581 -146.7365 -116.9535 556093.0809 -4.4670 -4.3590 PRESSURE: 2042200 -256.179 -106.946 -64.1061 -106.945 -173.853 -168.013 -64.1068 -168.014 15.9012 GPRESSURE: 2042200 -224.201 -195.241 -14.1822 -17.5276 -139.376 -202.616 -94.5941 -126.69 43.4016 PRESSAVG: 2042200 39.1786 -7.69082 -16.1801 -7.6908 -4.79763 -40.1533 -16.1801 -40.1533 -11.8344 GPRESSAVG: 2042200 41.6455 -9.48197 -15.2592 -7.99763 -7.0018 -44.3703 -17.7896 -37.8878 -11.9161 TIMING: 2042200 CPU: 6077.83, 0.00295665/step Wall: 6077.83, 0.00295665/step, 2.42922 hours remaining, 206.968750 MB of memory in use. ENERGY: 2042200 748.8834 2130.9545 1936.9503 113.8280 -205890.5517 17535.3534 0.0000 0.0000 34075.3544 -149349.2277 297.5885 -183424.5821 -149249.8839 299.3116 -138.0435 -106.7254 557825.1263 7.5155 7.5759 PRESSURE: 2042400 -96.7653 -21.8582 -9.61708 -21.8585 -16.8061 284.486 -9.61584 284.488 -176.809 GPRESSURE: 2042400 -42.186 -29.9369 20.3107 26.8433 1.12815 307.326 36.6086 240.885 -158.871 PRESSAVG: 2042400 -1.10061 -25.8503 -13.9371 -25.8503 2.21742 40.3968 -13.9371 40.3969 -16.5328 GPRESSAVG: 2042400 -2.93704 -24.9855 -15.5785 -25.4659 2.71928 39.5013 -12.2701 40.0759 -15.3889 TIMING: 2042400 CPU: 6078.42, 0.00296396/step Wall: 6078.42, 0.00296396/step, 2.43505 hours remaining, 206.968750 MB of memory in use. ENERGY: 2042400 771.5004 2168.0288 1943.2062 101.2968 -206055.3997 17676.5188 0.0000 0.0000 34168.0277 -149226.8212 298.3979 -183394.8489 -149129.6740 298.4324 -96.7934 -66.6429 557999.1931 -5.1387 -5.2022 PRESSURE: 2042600 331.884 118.075 35.9783 118.075 49.6432 5.80805 35.9782 5.80882 166.425 GPRESSURE: 2042600 332.946 100.68 -11.9614 185.266 104.079 98.9088 24.1242 -3.2987 205.468 PRESSAVG: 2042600 62.091 -67.6433 -2.42907 -67.6434 -51.4204 -31.6977 -2.42907 -31.6975 -6.30626 GPRESSAVG: 2042600 61.4508 -68.4458 -2.52743 -66.6613 -50.9819 -28.6058 -2.27909 -32.1088 -6.22335 TIMING: 2042600 CPU: 6079.02, 0.00298752/step Wall: 6079.02, 0.00298752/step, 2.45425 hours remaining, 206.968750 MB of memory in use. ENERGY: 2042600 727.3231 2131.7275 1937.9004 125.0173 -206569.1381 18154.2643 0.0000 0.0000 34297.4472 -149195.4581 299.5281 -183492.9054 -149102.5617 299.7983 182.6507 214.1643 556845.7041 1.4548 1.4152 PRESSURE: 2042800 -96.482 20.0724 -88.5438 20.0731 179.096 -17.8446 -88.5439 -17.845 -260.623 GPRESSURE: 2042800 -79.0436 48.8967 -78.0754 -18.853 200.94 -9.94744 -76.4262 -11.2555 -194.932 PRESSAVG: 2042800 25.0604 -0.37899 -12.9124 -0.37895 16.9867 30.9486 -12.9124 30.9487 -93.6886 GPRESSAVG: 2042800 25.8492 1.10933 -12.9486 -2.87598 16.8798 27.7899 -12.8424 33.009 -94.2552 TIMING: 2042800 CPU: 6079.62, 0.00298471/step Wall: 6079.62, 0.00298471/step, 2.45178 hours remaining, 206.968750 MB of memory in use. ENERGY: 2042800 760.1064 2124.6796 1974.2860 124.3876 -206333.5858 17770.9222 0.0000 0.0000 34242.3062 -149336.8978 299.0466 -183579.2040 -149245.2263 298.8548 -59.3362 -24.3452 559286.5916 -17.2138 -17.1754 PRESSURE: 2043000 -114.083 88.1006 119.306 88.0999 412.907 -86.301 119.306 -86.2999 112.953 GPRESSURE: 2043000 -96.9107 47.6818 138.314 135.102 435.787 -109.561 83.9906 -102.149 151.416 PRESSAVG: 2043000 -4.14302 33.0637 -31.1801 33.0636 37.5076 -13.2549 -31.1801 -13.2549 -43.6966 GPRESSAVG: 2043000 -4.8194 30.5547 -30.5224 34.8631 38.0571 -12.6501 -33.1816 -14.4034 -43.785 TIMING: 2043000 CPU: 6080.22, 0.00300995/step Wall: 6080.22, 0.00300995/step, 2.47234 hours remaining, 206.968750 MB of memory in use. ENERGY: 2043000 749.7960 2145.9341 1954.1905 111.1674 -206351.4660 17865.5657 0.0000 0.0000 34160.8106 -149364.0017 298.3349 -183524.8124 -149277.1679 298.7467 137.2587 163.4308 557489.7075 -3.4440 -3.5158 PRESSURE: 2043200 -149.088 184.433 -91.0819 184.433 -31.9143 164.518 -91.0812 164.518 275.027 GPRESSURE: 2043200 -77.6564 242.934 -48.6429 161.609 21.2358 82.4796 -140.134 224.558 246.783 PRESSAVG: 2043200 2.89726 1.12926 -13.0232 1.12932 -4.29907 0.801688 -13.0232 0.80164 -21.194 GPRESSAVG: 2043200 3.34182 3.23318 -13.3899 0.884156 -5.30173 0.415473 -12.9501 3.41883 -20.4269 TIMING: 2043200 CPU: 6080.81, 0.00296421/step Wall: 6080.81, 0.00296421/step, 2.43461 hours remaining, 206.968750 MB of memory in use. ENERGY: 2043200 723.9583 2139.3521 1932.5870 114.7838 -206379.2197 17888.4104 0.0000 0.0000 34204.2500 -149375.8782 298.7142 -183580.1282 -149275.8704 298.9778 31.3417 63.4541 555312.1857 -7.5320 -7.4623 PRESSURE: 2043400 -15.8509 -19.073 -169.517 -19.0723 -38.6873 69.7171 -169.517 69.7151 -172.882 GPRESSURE: 2043400 39.0657 54.4073 -152.153 8.84986 -16.9145 79.3622 -262.098 -36.2098 -151.176 PRESSAVG: 2043400 60.8544 0.0418005 -14.392 0.0419155 -19.9907 21.0902 -14.392 21.0901 -14.0738 GPRESSAVG: 2043400 59.5796 -0.0734811 -12.5499 -0.738966 -19.1474 22.51 -16.366 18.3932 -13.6602 TIMING: 2043400 CPU: 6081.41, 0.0029858/step Wall: 6081.41, 0.0029858/step, 2.45217 hours remaining, 206.968750 MB of memory in use. ENERGY: 2043400 758.7481 2136.8589 1936.8818 131.6268 -206274.2497 17688.9687 0.0000 0.0000 34321.0288 -149300.1364 299.7341 -183621.1653 -149211.2107 298.7544 -75.8067 -43.0082 555811.5359 8.9300 8.9240 PRESSURE: 2043600 330.398 61.3315 7.92485 61.332 203.613 -30.73 7.92576 -30.7275 -26.5385 GPRESSURE: 2043600 349.77 20.5448 -30.4446 110.063 146.492 -41.4406 21.7539 -104.421 106.584 PRESSAVG: 2043600 42.8575 1.522 -6.75308 1.52191 57.8001 -7.79819 -6.75305 -7.79807 -84.3 GPRESSAVG: 2043600 42.8152 0.0306892 -6.68556 4.07221 57.8472 -8.03396 -4.60356 -7.72884 -83.9072 TIMING: 2043600 CPU: 6082.01, 0.00297315/step Wall: 6082.01, 0.00297315/step, 2.44162 hours remaining, 206.968750 MB of memory in use. ENERGY: 2043600 725.7738 2159.9134 1936.7244 97.4084 -206270.2286 17960.3346 0.0000 0.0000 34347.0878 -149042.9863 299.9617 -183390.0741 -148947.2342 299.4362 169.1576 200.9487 555979.3495 5.4526 5.5851 PRESSURE: 2043800 -229.818 59.1081 -49.1916 59.1087 -170.475 150.983 -49.1914 150.981 145.509 GPRESSURE: 2043800 -212.658 -24.9979 -1.85839 6.53146 -120.588 64.0902 -81.4023 175.697 181.251 PRESSAVG: 2043800 -33.8803 -9.82316 -20.4354 -9.82313 85.9601 46.7687 -20.4355 46.7687 -41.9157 GPRESSAVG: 2043800 -33.7977 -9.08431 -22.4233 -12.5719 85.5605 45.9704 -19.7382 48.0038 -41.7631 TIMING: 2043800 CPU: 6082.6, 0.00297383/step Wall: 6082.6, 0.00297383/step, 2.44201 hours remaining, 206.968750 MB of memory in use. ENERGY: 2043800 721.0432 2165.0425 1962.5984 118.2089 -206232.7610 17659.6846 0.0000 0.0000 34370.0716 -149236.1118 300.1624 -183606.1834 -149137.7230 299.7619 -84.9279 -50.6650 557421.8876 3.3881 3.3332 PRESSURE: 2044000 -58.419 -48.9801 21.6273 -48.98 99.363 -42.5308 21.6266 -42.5309 -151.894 GPRESSURE: 2044000 -64.1791 21.0379 132.338 -53.8432 158.564 -118.227 -51.8296 -19.0808 -119.012 PRESSAVG: 2044000 -64.7158 -53.5754 9.0171 -53.5753 18.834 -35.0717 9.01701 -35.0717 18.4648 GPRESSAVG: 2044000 -64.2007 -51.4121 10.1351 -51.1293 18.4992 -34.5055 8.73818 -34.6456 18.1884 TIMING: 2044000 CPU: 6083.19, 0.00297408/step Wall: 6083.19, 0.00297408/step, 2.44205 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: 2044000 775.0483 2087.8839 1955.1790 110.2501 -206112.1785 17665.2132 0.0000 0.0000 34178.3168 -149340.2871 298.4877 -183518.6039 -149237.5934 298.5908 -36.9833 -8.2090 557154.4191 -9.1390 -9.1710 PRESSURE: 2044200 -186.436 -104.656 -58.1507 -104.656 448.6 90.7014 -58.1507 90.7017 -253.898 GPRESSURE: 2044200 -98.0037 -95.9623 -53.8505 -93.2559 440.242 109.04 -33.681 -9.3091 -229.284 PRESSAVG: 2044200 -85.0063 -57.0244 -20.4232 -57.0244 112.556 -10.2513 -20.4232 -10.2513 9.92337 GPRESSAVG: 2044200 -84.359 -59.0445 -20.7613 -59.7939 111.86 -10.8317 -21.1257 -11.7476 10.2494 TIMING: 2044200 CPU: 6083.79, 0.00298622/step Wall: 6083.79, 0.00298622/step, 2.45185 hours remaining, 206.968750 MB of memory in use. ENERGY: 2044200 771.8158 2084.9824 1954.1401 109.7007 -206332.9009 17900.5411 0.0000 0.0000 34244.6826 -149267.0383 299.0673 -183511.7209 -149167.2988 298.2568 2.7553 37.6513 557402.6401 12.4909 12.5835 LDB: ============= START OF LOAD BALANCING ============== 6087.22 LDB: ============== END OF LOAD BALANCING =============== 6087.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6087.22 LDB: ============= START OF LOAD BALANCING ============== 6087.52 LDB: Largest compute 4821 load 0.027945 is 23.7% of average load 0.117988 LDB: Average compute 0.001708 is 1.4% of average load 0.117988 LDB: TIME 6087.53 LOAD: AVG 0.117988 MAX 0.20233 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.605 MB LDB: TIME 6087.53 LOAD: AVG 0.117988 MAX 0.20233 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.605 MB LDB: TIME 6087.53 LOAD: AVG 0.117988 MAX 0.20233 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6087.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6087.53 PRESSURE: 2044400 46.4697 61.7454 -8.3834 61.7449 -241.053 -0.595634 -8.38285 -0.595369 141.246 GPRESSURE: 2044400 110.817 56.3104 9.15441 47.3116 -173.54 25.5252 -16.1188 -28.1064 109.728 PRESSAVG: 2044400 -31.138 -24.8001 2.60713 -24.8001 8.33629 11.2011 2.60715 11.2011 -3.42648 GPRESSAVG: 2044400 -31.8006 -24.9127 1.02393 -23.5058 8.97169 11.8326 2.89448 11.2792 -4.25373 TIMING: 2044400 CPU: 6084.4, 0.00305532/step Wall: 6084.4, 0.00305532/step, 2.50842 hours remaining, 204.957031 MB of memory in use. ENERGY: 2044400 755.6500 2087.4331 1948.9269 115.1468 -206723.1427 18073.5105 0.0000 0.0000 34474.6014 -149267.8740 301.0753 -183742.4754 -149168.2783 299.4049 -17.7792 15.6683 557895.8322 -8.7427 -9.0276 PRESSURE: 2044600 -23.7293 63.9411 97.9581 63.9408 197.403 92.3425 97.9585 92.3403 -120.947 GPRESSURE: 2044600 -3.00521 67.2952 9.38701 26.6619 289.185 79.1717 130.093 -0.956133 -124.625 PRESSAVG: 2044600 24.4236 12.3105 -21.9733 12.3105 -33.6295 -23.268 -21.9733 -23.2681 39.359 GPRESSAVG: 2044600 24.7573 13.2053 -21.7777 11.1635 -33.8024 -21.2095 -20.9624 -24.2176 39.5223 TIMING: 2044600 CPU: 6085.01, 0.00301164/step Wall: 6085.01, 0.00301164/step, 2.47239 hours remaining, 204.957031 MB of memory in use. ENERGY: 2044600 755.4394 2124.8009 1948.8947 122.2036 -206361.5912 17815.2756 0.0000 0.0000 34173.7728 -149421.2041 298.4481 -183594.9769 -149327.8121 299.1888 17.5756 53.8516 557684.9381 10.0511 10.1591 PRESSURE: 2044800 -190.176 40.4067 -130.582 40.4064 -31.3115 3.43716 -130.582 3.4375 -19.5787 GPRESSURE: 2044800 -154.507 69.4979 -194.975 -27.7727 -6.06159 -90.2449 36.8129 56.2883 21.6035 PRESSAVG: 2044800 -24.4765 -21.2388 1.96148 -21.2388 16.89 -24.4704 1.96145 -24.4705 -20.0802 GPRESSAVG: 2044800 -25.5882 -20.0495 1.80676 -22.0371 16.6001 -26.2858 2.72036 -24.484 -19.2498 TIMING: 2044800 CPU: 6085.61, 0.00300535/step Wall: 6085.61, 0.00300535/step, 2.46706 hours remaining, 204.957031 MB of memory in use. ENERGY: 2044800 767.9655 2025.9040 1993.8782 114.4597 -206132.1687 17733.5616 0.0000 0.0000 34147.5470 -149348.8526 298.2190 -183496.3996 -149250.0800 298.6494 -80.3553 -46.3217 557916.7751 -9.2223 -9.4126 PRESSURE: 2045000 -55.8591 178.882 -121.643 178.882 -147.909 -11.0921 -121.644 -11.0935 -212.265 GPRESSURE: 2045000 -2.29552 168.762 -133.154 135.365 -120.388 21.2907 -200.608 10.2671 -204.699 PRESSAVG: 2045000 39.5554 4.07569 12.2207 4.0757 5.89497 -60.7609 12.2206 -60.7608 -40.5473 GPRESSAVG: 2045000 39.058 1.16342 13.6169 4.96827 6.82871 -59.5935 8.36348 -61.2595 -41.3304 TIMING: 2045000 CPU: 6086.21, 0.00300523/step Wall: 6086.21, 0.00300523/step, 2.46679 hours remaining, 204.957031 MB of memory in use. ENERGY: 2045000 768.9804 2078.1383 1956.9046 112.0463 -206026.8277 17641.7101 0.0000 0.0000 34206.0541 -149262.9938 298.7300 -183469.0478 -149168.6936 299.0886 -138.6776 -109.1275 559003.3929 1.6343 1.5188 PRESSURE: 2045200 -153.695 208.302 -70.6256 208.301 -334.153 79.8666 -70.6276 79.8658 -391.669 GPRESSURE: 2045200 -58.5436 139.064 -37.5305 192.689 -320.756 -11.5712 -104.705 91.6666 -407.475 PRESSAVG: 2045200 -17.2055 14.1767 -31.7709 14.1767 23.0409 -55.943 -31.771 -55.9431 -38.9284 GPRESSAVG: 2045200 -17.4475 13.8213 -31.6209 16.2788 23.1853 -56.6509 -30.8369 -54.6284 -39.1401 TIMING: 2045200 CPU: 6086.81, 0.00301959/step Wall: 6086.81, 0.00301959/step, 2.47841 hours remaining, 204.957031 MB of memory in use. ENERGY: 2045200 772.6734 2118.1510 1949.1107 124.5445 -205847.2769 17474.3788 0.0000 0.0000 34338.0991 -149070.3193 299.8832 -183408.4184 -148979.8102 299.5223 -293.1725 -262.2582 558446.5768 -11.0310 -11.1341 PRESSURE: 2045400 -14.8848 -36.2785 -43.5253 -36.2776 -14.9558 79.7248 -43.5268 79.7238 188.52 GPRESSURE: 2045400 92.2019 -37.1807 3.37713 -12.5004 9.1374 50.8459 0.380537 132.754 154.706 PRESSAVG: 2045400 3.71875 -5.89062 -39.0493 -5.8906 -27.2774 4.59535 -39.0494 4.59537 37.1317 GPRESSAVG: 2045400 5.90128 -4.0512 -38.6332 -7.53736 -28.0966 3.67983 -39.7856 3.89898 35.9717 TIMING: 2045400 CPU: 6087.42, 0.00302193/step Wall: 6087.42, 0.00302193/step, 2.48016 hours remaining, 204.957031 MB of memory in use. ENERGY: 2045400 774.5457 2090.1345 1956.4988 116.6130 -206747.3707 18141.3234 0.0000 0.0000 34378.8891 -149289.3664 300.2394 -183668.2554 -149198.0900 299.3171 52.8932 85.3486 557863.3853 4.5244 4.5922 PRESSURE: 2045600 -76.0773 6.26229 92.7107 6.2611 105.458 -151.469 92.7106 -151.468 -70.1364 GPRESSURE: 2045600 -28.7919 -0.811619 134.844 49.5605 178.195 -211.424 60.3469 -149.387 -97.676 PRESSAVG: 2045600 -45.7139 -39.377 52.0678 -39.3771 -15.0163 -6.71601 52.0677 -6.71598 -15.4117 GPRESSAVG: 2045600 -46.9065 -39.0062 50.6538 -39.2451 -14.8588 -8.47623 50.9067 -4.43836 -14.859 TIMING: 2045600 CPU: 6088.02, 0.00301934/step Wall: 6088.02, 0.00301933/step, 2.47787 hours remaining, 204.957031 MB of memory in use. ENERGY: 2045600 721.6172 2053.3899 1941.6019 116.8983 -206179.6078 17921.9116 0.0000 0.0000 34255.4572 -149168.7317 299.1614 -183424.1889 -149082.3176 299.0853 -13.5854 17.2422 559681.9893 -25.3806 -25.5414 PRESSURE: 2045800 -255.266 -133.086 103.837 -133.086 76.1984 -98.5959 103.838 -98.5952 100.902 GPRESSURE: 2045800 -209.671 -178.694 203.179 -100.631 87.0929 -56.6986 111.871 -178.367 132.656 PRESSAVG: 2045800 -40.1299 -35.0267 37.792 -35.0265 50.3984 -72.5555 37.792 -72.5556 -18.5167 GPRESSAVG: 2045800 -39.0127 -35.5034 38.1714 -33.3591 49.2639 -71.2172 39.2714 -73.8153 -18.0396 TIMING: 2045800 CPU: 6088.62, 0.0029891/step Wall: 6088.62, 0.0029891/step, 2.45289 hours remaining, 204.957031 MB of memory in use. ENERGY: 2045800 732.8214 2037.9855 1935.7236 112.6450 -205913.3444 17679.0338 0.0000 0.0000 34346.5042 -149068.6308 299.9566 -183415.1351 -148963.4018 299.6249 -26.0552 3.3594 558899.9085 -2.7494 -2.5961 PRESSURE: 2046000 -10.7041 -111.96 81.2282 -111.961 -265.42 84.1722 81.2298 84.1723 -32.0353 GPRESSURE: 2046000 9.81619 -16.215 80.7922 -186.273 -223.465 3.56366 135.434 120.005 -2.19679 PRESSAVG: 2046000 -51.8565 -27.6277 55.2649 -27.6276 69.5266 -15.8626 55.265 -15.8626 8.81012 GPRESSAVG: 2046000 -51.7178 -27.8196 54.2133 -29.319 68.8223 -16.0139 56.8975 -15.6645 9.42641 TIMING: 2046000 CPU: 6089.21, 0.00298692/step Wall: 6089.21, 0.00298692/step, 2.45093 hours remaining, 204.957031 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: 2046000 780.0484 2095.5906 1943.5890 118.4171 -206154.3095 17826.0677 0.0000 0.0000 34500.5162 -148890.0805 301.3016 -183390.5967 -148792.4323 300.0461 -102.7198 -71.9486 559433.6786 8.8268 8.8437 PRESSURE: 2046200 376.813 101.986 16.5627 101.986 -71.4628 82.6009 16.563 82.5999 43.0378 GPRESSURE: 2046200 369.391 116.912 48.618 51.4121 -13.6301 121.187 -23.8181 82.7387 91.0335 PRESSAVG: 2046200 56.125 -4.14542 47.6227 -4.14548 -10.1132 33.6141 47.6228 33.6141 -31.9772 GPRESSAVG: 2046200 56.5567 -3.9521 48.7605 -5.0298 -8.67733 32.4516 45.6902 34.0191 -33.908 TIMING: 2046200 CPU: 6089.81, 0.00297811/step Wall: 6089.81, 0.00297811/step, 2.44354 hours remaining, 204.957031 MB of memory in use. ENERGY: 2046200 727.4067 2043.8731 1977.8490 126.7165 -206121.9457 17894.5239 0.0000 0.0000 34366.5230 -148985.0534 300.1314 -183351.5764 -148890.3205 299.4135 116.1292 148.9314 557961.8768 4.6782 4.6571 PRESSURE: 2046400 -147.653 85.2431 -163.159 85.2444 -70.6384 11.2848 -163.16 11.285 211.36 GPRESSURE: 2046400 -89.7706 -21.5672 -186.235 152.776 -55.0076 20.8053 -169.634 -6.32335 234.131 PRESSAVG: 2046400 -25.14 -59.3382 -4.50652 -59.3381 70.2834 19.7098 -4.50662 19.7099 -31.4594 GPRESSAVG: 2046400 -26.7891 -59.7987 -6.89184 -57.7339 70.2653 20.6278 -2.92453 17.807 -29.6919 TIMING: 2046400 CPU: 6090.41, 0.00300087/step Wall: 6090.41, 0.00300087/step, 2.46205 hours remaining, 204.957031 MB of memory in use. ENERGY: 2046400 769.1289 2038.8476 1922.9507 113.2254 -206132.8133 17808.0424 0.0000 0.0000 34339.5147 -149141.1035 299.8955 -183480.6182 -149051.2765 299.3700 -2.3106 29.7844 556881.8432 4.5614 4.5948 PRESSURE: 2046600 -238.49 23.0865 77.7012 23.0862 -60.9175 -6.58203 77.7006 -6.5838 59.5303 GPRESSURE: 2046600 -241.147 -41.316 66.0864 49.6333 -33.4797 -15.8364 155.176 51.3832 133.085 PRESSAVG: 2046600 -39.7682 -66.1039 -8.17067 -66.1039 40.5731 -9.8815 -8.1707 -9.8817 9.01944 GPRESSAVG: 2046600 -39.621 -66.2406 -5.12443 -65.1944 40.7592 -9.11772 -8.44606 -11.2711 9.37828 TIMING: 2046600 CPU: 6091.01, 0.00297448/step Wall: 6091.01, 0.00297448/step, 2.44023 hours remaining, 204.957031 MB of memory in use. ENERGY: 2046600 778.5818 2057.5349 1939.2739 104.8748 -205908.7301 17570.1815 0.0000 0.0000 34463.4688 -148994.8143 300.9780 -183458.2831 -148898.0096 299.8565 -79.9590 -47.1805 556745.6924 3.2748 3.5055 PRESSURE: 2046800 84.7523 10.7426 60.6878 10.7419 570.255 44.0622 60.6878 44.0627 -93.8438 GPRESSURE: 2046800 88.3674 45.0429 100.276 65.1911 588.37 17.6131 145.883 64.6041 -18.8425 PRESSAVG: 2046800 5.31219 -39.3105 32.1423 -39.3106 25.6043 7.12205 32.1423 7.12214 -12.3184 GPRESSAVG: 2046800 5.80512 -36.7792 31.7521 -38.68 25.7338 5.44433 32.6619 9.2064 -12.7215 TIMING: 2046800 CPU: 6091.6, 0.00296289/step Wall: 6091.6, 0.00296289/step, 2.43055 hours remaining, 204.957031 MB of memory in use. ENERGY: 2046800 770.9065 2061.0697 1931.0849 110.5259 -206319.2403 18120.6305 0.0000 0.0000 34392.3178 -148932.7049 300.3567 -183325.0227 -148837.9106 301.4659 187.0545 219.2982 557192.4217 6.1993 6.2725 PRESSURE: 2047000 43.1874 51.9258 33.9094 51.9267 27.6865 45.0282 33.9093 45.0274 -43.3401 GPRESSURE: 2047000 28.3457 3.74261 122.901 46.1726 135.731 -4.3729 39.9515 -4.70971 -34.9873 PRESSAVG: 2047000 85.9125 -22.6948 -5.77951 -22.6948 -9.33565 25.7906 -5.77953 25.7906 -96.5504 GPRESSAVG: 2047000 86.1109 -24.4546 -6.28653 -23.6608 -9.0466 24.5456 -5.63446 26.4273 -97.3015 TIMING: 2047000 CPU: 6092.19, 0.0029689/step Wall: 6092.19, 0.0029689/step, 2.43532 hours remaining, 204.957031 MB of memory in use. ENERGY: 2047000 711.7896 2085.5543 1904.7112 105.2304 -206035.8469 17714.5141 0.0000 0.0000 34611.9625 -148902.0848 302.2749 -183514.0473 -148802.5033 300.6595 9.1779 43.0299 557356.8455 -6.6578 -6.7457 PRESSURE: 2047200 -46.2257 15.5068 -17.7629 15.5067 -75.554 60.2261 -17.7631 60.2269 11.9206 GPRESSURE: 2047200 -21.4002 3.47234 14.1622 -9.05827 -50.2015 -23.5767 -32.6677 88.7051 53.7648 PRESSAVG: 2047200 10.8459 1.53196 23.1884 1.53205 31.5743 4.77715 23.1883 4.77721 -33.744 GPRESSAVG: 2047200 12.2689 1.70129 21.6482 1.41637 30.1069 6.3791 22.9604 5.21424 -33.73 TIMING: 2047200 CPU: 6092.79, 0.00298783/step Wall: 6092.79, 0.00298783/step, 2.45068 hours remaining, 204.957031 MB of memory in use. ENERGY: 2047200 734.3979 2077.0391 1943.4453 106.6197 -205497.6596 17565.1684 0.0000 0.0000 34401.7531 -148669.2361 300.4391 -183070.9892 -148576.2175 300.9414 -36.6197 -5.9456 558314.9065 2.8921 2.8819 PRESSURE: 2047400 272.459 23.4484 -81.6729 23.4487 26.0274 11.9168 -81.6726 11.9168 -175.456 GPRESSURE: 2047400 233.13 23.0495 -78.2469 70.242 108.79 80.8611 -57.3899 55.9438 -131.386 PRESSAVG: 2047400 2.42652 11.9641 28.1159 11.964 -35.0636 49.8489 28.1159 49.849 41.1852 GPRESSAVG: 2047400 0.930843 12.3464 28.4609 13.383 -33.9751 49.9869 27.2904 47.183 41.8563 TIMING: 2047400 CPU: 6093.39, 0.00298512/step Wall: 6093.39, 0.00298512/step, 2.4483 hours remaining, 204.957031 MB of memory in use. ENERGY: 2047400 713.8178 2126.1297 1943.6315 106.3527 -205824.7633 17782.3362 0.0000 0.0000 34349.6206 -148802.8748 299.9838 -183152.4954 -148705.3770 301.3894 41.0102 70.1781 557700.8906 2.8494 2.9373 PRESSURE: 2047600 39.5943 -59.163 2.98023 -59.1652 -38.5545 48.5198 2.98131 48.5197 115.655 GPRESSURE: 2047600 86.1607 -98.6335 22.4608 -48.9463 -18.2465 82.9858 -62.9702 30.8219 143.694 PRESSAVG: 2047600 20.8883 -45.2307 25.2025 -45.2307 -24.2193 25.7954 25.2025 25.7954 32.6433 GPRESSAVG: 2047600 22.0022 -44.8789 27.2352 -48.2126 -23.8093 25.9677 25.0967 25.7635 31.6995 TIMING: 2047600 CPU: 6093.98, 0.00298428/step Wall: 6093.98, 0.00298428/step, 2.44744 hours remaining, 204.957031 MB of memory in use. ENERGY: 2047600 724.1920 2112.9914 1955.7988 110.1680 -205588.1744 17627.3239 0.0000 0.0000 34207.0920 -148850.6084 298.7390 -183057.7003 -148757.2422 300.1481 38.8983 70.5362 558091.7669 9.7708 9.9641 PRESSURE: 2047800 336.414 128.043 -132.257 128.043 16.4257 -49.1865 -132.257 -49.1874 132.706 GPRESSURE: 2047800 349.689 83.8233 -61.93 132.821 79.0115 -94.4233 -71.4659 -94.9947 150.671 PRESSAVG: 2047800 -32.8456 -16.8305 -13.228 -16.8306 -28.2677 -27.5706 -13.2281 -27.5706 70.5549 GPRESSAVG: 2047800 -32.6997 -18.014 -12.5024 -15.225 -29.9613 -28.3878 -13.2497 -28.2884 72.4804 TIMING: 2047800 CPU: 6094.58, 0.00300305/step Wall: 6094.58, 0.00300305/step, 2.46267 hours remaining, 204.957031 MB of memory in use. ENERGY: 2047800 740.3927 2114.4368 1912.7304 123.3857 -205716.0310 17768.4935 0.0000 0.0000 34149.7638 -148906.8281 298.2384 -183056.5918 -148813.3167 299.8189 161.8488 193.1237 557590.5207 3.1472 3.2732 PRESSURE: 2048000 18.3174 -23.6697 24.9922 -23.6703 -4.97786 78.0655 24.9924 78.0672 216.455 GPRESSURE: 2048000 41.7964 -96.033 -17.8 -45.7395 26.8243 -4.65338 7.04639 25.6538 251.857 PRESSAVG: 2048000 -5.23391 -57.4894 -8.20325 -57.4896 -25.2002 -1.42379 -8.20328 -1.42383 27.0779 GPRESSAVG: 2048000 -4.35494 -56.4892 -8.75556 -58.4994 -24.693 -2.02751 -8.02211 0.504226 25.8673 TIMING: 2048000 CPU: 6095.19, 0.00301334/step Wall: 6095.19, 0.00301334/step, 2.47094 hours remaining, 204.957031 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: 2048000 717.9949 2081.9920 1956.5363 112.5217 -206149.5021 17798.3427 0.0000 0.0000 34304.9072 -149177.2073 299.5933 -183482.1144 -149075.6551 299.4067 76.5982 106.8259 557326.4434 -1.1187 -1.0602 PRESSURE: 2048200 -80.9614 142.706 105.103 142.708 -134.833 127.524 105.104 127.524 -96.2206 GPRESSURE: 2048200 -103.748 193.644 116.327 95.3074 -69.92 145.742 111.288 77.4376 -55.3959 PRESSAVG: 2048200 17.4857 -76.2812 26.3282 -76.2811 -17.3635 5.52097 26.3283 5.52108 29.8843 GPRESSAVG: 2048200 16.7632 -76.6293 25.113 -76.3863 -17.057 8.41342 27.1331 5.15866 30.0693 TIMING: 2048200 CPU: 6095.79, 0.00301638/step Wall: 6095.79, 0.00301638/step, 2.47327 hours remaining, 204.957031 MB of memory in use. ENERGY: 2048200 763.0864 2104.0402 1936.5829 116.4449 -205925.7068 17613.4423 0.0000 0.0000 34179.6800 -149212.4301 298.4996 -183392.1101 -149121.5562 299.2654 -104.0050 -76.3545 557967.2609 10.0022 9.9252 LDB: ============= START OF LOAD BALANCING ============== 6099.22 LDB: ============== END OF LOAD BALANCING =============== 6099.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6099.22 LDB: ============= START OF LOAD BALANCING ============== 6099.52 LDB: Largest compute 4821 load 0.027778 is 23.5% of average load 0.118099 LDB: Average compute 0.001712 is 1.4% of average load 0.118099 LDB: TIME 6099.53 LOAD: AVG 0.118099 MAX 0.201435 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.5 MB LDB: TIME 6099.53 LOAD: AVG 0.118099 MAX 0.201435 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.57 MB LDB: TIME 6099.53 LOAD: AVG 0.118099 MAX 0.201435 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.57 MB LDB: ============== END OF LOAD BALANCING =============== 6099.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6099.53 PRESSURE: 2048400 -16.4773 19.9258 -63.6375 19.9256 -71.1978 -33.1095 -63.6371 -33.1073 28.0912 GPRESSURE: 2048400 67.9926 52.3186 -139.381 63.3596 -16.4201 3.53876 -63.6637 -66.7101 -0.807444 PRESSAVG: 2048400 -1.3435 13.1459 50.5613 13.1459 -64.7655 18.2075 50.5614 18.2076 35.52 GPRESSAVG: 2048400 -1.64665 12.9834 50.6767 11.8273 -64.0968 16.3709 49.2226 18.7239 35.2295 TIMING: 2048400 CPU: 6096.4, 0.00306097/step Wall: 6096.4, 0.00306097/step, 2.50966 hours remaining, 205.218750 MB of memory in use. ENERGY: 2048400 757.4001 2111.7181 1953.4063 108.8738 -206085.4938 17696.7824 0.0000 0.0000 34248.9418 -149208.3712 299.1045 -183457.3130 -149115.4492 299.2783 -19.8613 16.9217 557013.2541 -10.1964 -10.1713 PRESSURE: 2048600 25.8517 49.1649 -87.4042 49.1644 -57.982 19.3235 -87.4045 19.3242 -122.006 GPRESSURE: 2048600 43.8653 4.30713 -27.8052 45.1952 -41.4269 32.1341 -107.739 19.2442 -61.3385 PRESSAVG: 2048600 -45.3168 89.2747 33.649 89.2747 54.663 -6.66565 33.649 -6.6657 1.07987 GPRESSAVG: 2048600 -45.954 89.2645 32.9799 92.0434 54.8616 -7.38872 34.3412 -6.09586 1.16325 TIMING: 2048600 CPU: 6097, 0.00298125/step Wall: 6097, 0.00298125/step, 2.44413 hours remaining, 205.218750 MB of memory in use. ENERGY: 2048600 722.0818 2150.9139 1923.9537 112.6246 -206185.4138 17760.0661 0.0000 0.0000 34279.0267 -149236.7471 299.3673 -183515.7738 -149140.1927 299.4198 -51.3789 -19.6334 557901.0664 3.4753 3.3569 PRESSURE: 2048800 102.046 -125.139 -131.808 -125.139 15.5992 74.0072 -131.808 74.0069 -17.1283 GPRESSURE: 2048800 87.6305 -109.542 -166.894 -97.7626 113.275 32.8531 -80.6804 182.054 -2.48759 PRESSAVG: 2048800 -26.0601 78.1631 62.6528 78.1631 27.4264 81.0218 62.6529 81.0219 -25.0881 GPRESSAVG: 2048800 -26.1321 77.2739 62.3785 78.328 27.392 80.8875 64.1337 81.8712 -25.3227 TIMING: 2048800 CPU: 6097.6, 0.00299363/step Wall: 6097.6, 0.00299363/step, 2.45411 hours remaining, 205.218750 MB of memory in use. ENERGY: 2048800 755.8652 2092.4067 1929.1547 120.7227 -206409.7501 17987.2499 0.0000 0.0000 34175.5530 -149348.7978 298.4636 -183524.3509 -149247.2584 298.3337 33.5057 66.1393 556299.2685 -7.9073 -8.0209 PRESSURE: 2049000 139.327 -165.827 -79.8822 -165.827 125.494 -97.2765 -79.8817 -97.275 174.396 GPRESSURE: 2049000 183.394 -101.261 -68.6679 -180.196 163.803 -137.041 -63.8177 -35.8489 191.312 PRESSAVG: 2049000 19.559 -20.8109 -14.0588 -20.8111 -11.7126 -3.5825 -14.0588 -3.58255 17.2101 GPRESSAVG: 2049000 18.9134 -20.5075 -13.705 -21.7531 -11.6161 -4.87343 -14.721 -2.35572 17.6191 TIMING: 2049000 CPU: 6098.2, 0.00299999/step Wall: 6098.2, 0.00299999/step, 2.45916 hours remaining, 205.218750 MB of memory in use. ENERGY: 2049000 745.7107 2119.5389 1935.9629 115.6421 -206639.1484 17996.4560 0.0000 0.0000 34482.1139 -149243.7238 301.1409 -183725.8377 -149148.3792 299.4099 146.4058 179.5026 556413.1204 8.3522 8.3055 PRESSURE: 2049200 16.4862 -80.1327 -8.69335 -80.1329 -423.322 127.537 -8.69291 127.538 -231.346 GPRESSURE: 2049200 11.1817 2.96923 -98.1262 -126.461 -338.838 98.2056 52.98 103.665 -211.035 PRESSAVG: 2049200 -18.0868 -1.19314 -13.6904 -1.19313 3.71995 -16.0368 -13.6904 -16.0368 28.2635 GPRESSAVG: 2049200 -17.2733 -1.14512 -10.6035 -1.36922 3.40238 -13.5013 -14.1964 -19.0232 27.2044 TIMING: 2049200 CPU: 6098.79, 0.0029796/step Wall: 6098.79, 0.0029796/step, 2.44228 hours remaining, 205.218750 MB of memory in use. ENERGY: 2049200 779.2137 2134.7658 1940.0135 114.3226 -206035.6320 17388.7636 0.0000 0.0000 34428.3132 -149250.2397 300.6710 -183678.5528 -149152.2607 300.1084 -212.7276 -179.5639 556968.5772 4.6322 4.4445 PRESSURE: 2049400 89.9897 64.3482 53.3495 64.3476 50.3602 40.9925 53.3501 40.9913 -119.126 GPRESSURE: 2049400 119.273 7.70711 146.922 79.2596 70.353 -16.5497 65.5554 122.539 -65.2512 PRESSAVG: 2049400 50.5653 -18.4148 -0.229815 -18.4147 -30.9043 26.1917 -0.229846 26.1917 -10.3693 GPRESSAVG: 2049400 50.9802 -18.2079 -1.06552 -19.3633 -31.44 24.194 0.293755 29.3475 -10.5135 TIMING: 2049400 CPU: 6099.39, 0.00296634/step Wall: 6099.39, 0.00296634/step, 2.43125 hours remaining, 205.218750 MB of memory in use. ENERGY: 2049400 742.7162 2057.3488 1935.9814 104.0051 -206436.2363 17969.5834 0.0000 0.0000 34386.8830 -149239.7185 300.3092 -183626.6015 -149146.3449 299.4937 7.0746 41.4583 556903.2043 3.0973 3.0089 PRESSURE: 2049600 -71.5715 -268.504 -147.77 -268.504 -136.095 -5.0567 -147.771 -5.05687 -178.541 GPRESSURE: 2049600 -86.5857 -268.317 -136.19 -290.077 -77.5265 -29.2658 -45.7468 -101.016 -124.364 PRESSAVG: 2049600 50.9054 -20.5476 -34.4131 -20.5476 48.6663 40.5241 -34.4131 40.5241 -49.4744 GPRESSAVG: 2049600 49.5683 -21.7149 -34.7382 -17.6501 49.3886 42.5784 -35.9279 36.9188 -48.3662 TIMING: 2049600 CPU: 6099.98, 0.00296898/step Wall: 6099.98, 0.00296898/step, 2.43325 hours remaining, 205.218750 MB of memory in use. ENERGY: 2049600 774.2081 2030.7461 1930.5344 122.6223 -205795.3898 17631.6926 0.0000 0.0000 34175.3212 -149130.2652 298.4616 -183305.5864 -149040.8449 299.1348 -128.7359 -96.1588 558189.2669 16.6991 16.8636 PRESSURE: 2049800 -324.835 192.652 55.2335 192.651 -85.5418 89.9798 55.2333 89.9787 -334.459 GPRESSURE: 2049800 -283.621 270.762 -29.9987 153.395 -61.6227 102.319 51.4819 23.3612 -303.99 PRESSAVG: 2049800 12.1731 19.6472 -19.4333 19.6472 31.5653 15.3251 -19.4333 15.3251 -12.7227 GPRESSAVG: 2049800 12.5306 20.6003 -20.484 16.9926 30.9742 15.2392 -18.7636 15.8798 -12.9654 TIMING: 2049800 CPU: 6100.57, 0.00294582/step Wall: 6100.57, 0.00294582/step, 2.4141 hours remaining, 205.218750 MB of memory in use. ENERGY: 2049800 743.4713 2096.2224 1937.5854 118.4574 -205631.1098 17405.9009 0.0000 0.0000 34197.9688 -149131.5037 298.6594 -183329.4725 -149037.2156 299.8492 -248.2787 -216.4114 557961.8226 10.3386 10.1798 PRESSURE: 2050000 146.223 70.1406 -219.058 70.1413 61.5687 10.3506 -219.059 10.3507 71.1624 GPRESSURE: 2050000 199.151 116.077 -257.972 8.70521 117.957 10.7086 -91.627 12.9373 64.218 PRESSAVG: 2050000 6.49142 24.2244 1.92142 24.2244 96.2301 40.3684 1.92137 40.3685 -62.3991 GPRESSAVG: 2050000 5.32614 24.4564 3.89084 24.8629 95.9475 37.8077 2.20476 41.4643 -61.7986 TIMING: 2050000 CPU: 6101.17, 0.00297923/step Wall: 6101.17, 0.00297923/step, 2.44132 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: 2050000 770.6667 2130.4902 1949.3380 113.7697 -206277.0031 17879.0902 0.0000 0.0000 34386.5939 -149047.0544 300.3067 -183433.6483 -148947.3055 299.8289 92.9847 127.1088 556289.0451 13.4408 13.1583 PRESSURE: 2050200 -54.4664 74.3559 -112.835 74.3563 -39.0079 49.2602 -112.834 49.2596 -23.5527 GPRESSURE: 2050200 -1.5216 126.149 -84.8604 147.084 -5.76159 82.7158 -26.9337 40.9895 -15.6144 PRESSAVG: 2050200 16.6194 -14.583 -37.1374 -14.5831 -7.55825 -2.91445 -37.1374 -2.91443 19.7353 GPRESSAVG: 2050200 17.5575 -13.7201 -37.4121 -14.8373 -6.81425 -0.752899 -38.1628 -3.0942 17.8493 TIMING: 2050200 CPU: 6101.76, 0.00298453/step Wall: 6101.76, 0.00298453/step, 2.44549 hours remaining, 205.218750 MB of memory in use. ENERGY: 2050200 769.2338 2045.2611 1973.2982 115.1076 -206343.2807 17794.0167 0.0000 0.0000 34662.7962 -148983.5670 302.7188 -183646.3632 -148880.8252 300.4694 -39.0090 -7.6325 556719.0747 9.5988 9.5308 PRESSURE: 2050400 179.728 -28.0436 98.1096 -28.0438 119.906 -1.10606 98.109 -1.10539 325.788 GPRESSURE: 2050400 250.998 -47.8823 119.05 3.991 170.569 19.0578 21.0614 27.4571 308.068 PRESSAVG: 2050400 91.0153 -24.3694 -0.0207142 -24.3695 -38.8017 -17.6306 -0.0207542 -17.6306 -45.038 GPRESSAVG: 2050400 89.026 -26.5679 -0.634744 -24.6953 -37.7662 -18.8829 0.720187 -17.2672 -44.2558 TIMING: 2050400 CPU: 6102.36, 0.00297394/step Wall: 6102.36, 0.00297394/step, 2.43665 hours remaining, 205.218750 MB of memory in use. ENERGY: 2050400 728.6876 2076.1786 1944.2770 112.7058 -206046.6753 18025.5607 0.0000 0.0000 34139.0079 -149020.2577 298.1444 -183159.2656 -148921.2723 300.7130 208.4736 243.2115 555887.3258 2.3919 2.3346 PRESSURE: 2050600 -175.562 59.9626 96.4643 59.9632 -221.963 -94.9721 96.4635 -94.9717 -78.52 GPRESSURE: 2050600 -97.2079 64.0305 86.0275 58.6485 -156.357 -107.839 65.3315 -120.508 -126.822 PRESSAVG: 2050600 -47.6154 -29.383 16.6563 -29.383 -31.07 -0.316117 16.6564 -0.316077 81.959 GPRESSAVG: 2050600 -45.5591 -27.8971 14.8148 -28.9065 -32.6971 1.44031 16.7351 -1.54702 81.5425 TIMING: 2050600 CPU: 6102.96, 0.00299164/step Wall: 6102.96, 0.00299164/step, 2.45099 hours remaining, 205.218750 MB of memory in use. ENERGY: 2050600 730.0818 2042.3323 1967.9024 109.4569 -205882.8508 17496.3992 0.0000 0.0000 34322.0750 -149214.6033 299.7432 -183536.6783 -149119.6803 299.4060 -158.6817 -126.7955 557365.1093 1.0912 1.0954 PRESSURE: 2050800 -302.674 0.912963 120.478 0.912729 78.4428 -178.985 120.478 -178.986 -229.139 GPRESSURE: 2050800 -265.981 -60.6634 36.3336 65.3802 80.3827 -201.572 112.768 -178.858 -170.698 PRESSAVG: 2050800 -16.7687 -10.2979 23.6236 -10.2979 65.3523 -63.5412 23.6236 -63.5411 -38.0608 GPRESSAVG: 2050800 -17.9649 -11.0716 26.0994 -9.38391 65.8056 -63.711 22.7887 -62.8559 -37.2735 TIMING: 2050800 CPU: 6103.55, 0.00298824/step Wall: 6103.55, 0.00298824/step, 2.44803 hours remaining, 205.218750 MB of memory in use. ENERGY: 2050800 745.7612 2070.5186 1921.3160 110.4971 -206119.4592 17693.8630 0.0000 0.0000 34541.3199 -149036.1835 301.6579 -183577.5034 -148942.4127 299.4977 -151.1231 -118.7652 559349.1276 3.5076 3.5224 PRESSURE: 2051000 193.958 35.1405 -184.376 35.14 -7.08673 -142.014 -184.376 -142.015 109.818 GPRESSURE: 2051000 181.949 14.9792 -134.293 18.3142 71.4713 -183.809 -247.211 -120.309 129.335 PRESSAVG: 2051000 -27.9315 -3.532 -8.76079 -3.53182 -28.9755 -19.8673 -8.7608 -19.8674 44.9368 GPRESSAVG: 2051000 -28.7456 -3.48981 -10.9222 -4.65994 -28.981 -21.4898 -6.90359 -19.8957 45.3151 TIMING: 2051000 CPU: 6104.14, 0.00296078/step Wall: 6104.14, 0.00296078/step, 2.42537 hours remaining, 205.218750 MB of memory in use. ENERGY: 2051000 706.1697 2015.8055 1952.7691 110.6093 -206087.9713 17943.8501 0.0000 0.0000 34253.9402 -149104.8273 299.1482 -183358.7675 -149016.4367 299.5873 98.8965 127.5850 558232.0845 -3.9901 -4.1371 PRESSURE: 2051200 -159.343 -78.3955 -0.512532 -78.3959 -120.076 67.9714 -0.513199 67.9706 161.362 GPRESSURE: 2051200 -108.067 -32.1048 -63.0693 -111.806 -101.055 18.3874 7.45402 100.858 189.913 PRESSAVG: 2051200 30.9909 -12.7719 50.3334 -12.7719 -65.767 -14.5997 50.3333 -14.5997 31.3823 GPRESSAVG: 2051200 33.031 -13.2634 51.905 -12.0129 -65.1887 -14.5595 49.8989 -16.184 29.0355 TIMING: 2051200 CPU: 6104.74, 0.00297703/step Wall: 6104.74, 0.00297703/step, 2.43852 hours remaining, 205.218750 MB of memory in use. ENERGY: 2051200 717.0348 2107.0873 1914.4985 115.1984 -206074.0873 17643.1020 0.0000 0.0000 34322.7928 -149254.3735 299.7495 -183577.1663 -149161.3269 299.2301 -39.3522 -6.4030 556429.2210 -1.1313 -1.0407 PRESSURE: 2051400 -78.0813 -17.8857 -43.4546 -17.886 55.0936 50.8164 -43.4541 50.8165 108.936 GPRESSURE: 2051400 -19.8991 59.9332 -39.3754 -104.284 59.5432 56.7793 -77.8163 -5.72582 132.05 PRESSAVG: 2051400 -70.644 2.05085 -23.1706 2.05082 -35.5065 16.2454 -23.1706 16.2455 71.3271 GPRESSAVG: 2051400 -72.374 3.90294 -23.333 1.09384 -35.2533 19.07 -23.9115 16.6493 73.2413 TIMING: 2051400 CPU: 6105.34, 0.00298814/step Wall: 6105.34, 0.00298814/step, 2.44745 hours remaining, 205.218750 MB of memory in use. ENERGY: 2051400 773.0482 2045.7679 1984.1699 109.5527 -206233.0106 17921.2789 0.0000 0.0000 34096.9742 -149302.2187 297.7774 -183399.1930 -149204.4416 299.0180 28.6495 57.2315 557256.6293 -11.6078 -11.4620 PRESSURE: 2051600 3.62757 7.90211 56.3443 7.90292 -222.217 100.667 56.3435 100.667 118.975 GPRESSURE: 2051600 68.573 -68.145 82.872 49.668 -152.893 84.9342 27.0591 123.271 77.6176 PRESSAVG: 2051600 -31.5479 -51.627 -7.03377 -51.6269 -63.2744 3.99147 -7.03388 3.99141 32.3404 GPRESSAVG: 2051600 -30.2113 -51.5219 -8.42587 -52.7084 -63.5011 4.36967 -4.8257 4.00435 31.5955 TIMING: 2051600 CPU: 6105.94, 0.00300406/step Wall: 6105.94, 0.00300406/step, 2.46032 hours remaining, 205.218750 MB of memory in use. ENERGY: 2051600 753.2608 2052.1171 1980.6165 114.9015 -205980.1284 17650.1969 0.0000 0.0000 34355.4808 -149073.5548 300.0350 -183429.0356 -148973.2836 299.0894 -33.2049 -2.2340 557015.0689 -20.8273 -20.7057 PRESSURE: 2051800 -264.135 -80.8231 -8.48557 -80.8234 -385.212 156.48 -8.48591 156.481 -125.829 GPRESSURE: 2051800 -211.399 -115.559 -30.0833 -39.762 -347.807 228.473 -3.847 96.1364 -110.096 PRESSAVG: 2051800 -2.46117 10.9377 75.6393 10.9378 -8.63369 33.0077 75.6392 33.0077 37.8709 GPRESSAVG: 2051800 -3.47878 8.91602 76.9581 13.7367 -7.75259 29.4648 73.272 32.0655 37.8367 TIMING: 2051800 CPU: 6106.54, 0.00299248/step Wall: 6106.54, 0.00299248/step, 2.45067 hours remaining, 205.218750 MB of memory in use. ENERGY: 2051800 772.4572 2064.8036 1949.9575 117.3686 -205629.1792 17457.7361 0.0000 0.0000 34330.3512 -148936.5050 299.8155 -183266.8562 -148841.8793 300.0860 -258.3922 -223.1006 558594.3438 8.9254 8.8685 PRESSURE: 2052000 -196.336 -4.72773 52.4624 -4.7273 72.9984 97.2424 52.4608 97.2425 99.186 GPRESSURE: 2052000 -87.0891 -20.8112 -5.89573 -38.0464 81.022 158.219 53.7622 79.6274 86.7658 PRESSAVG: 2052000 -40.6844 -23.5043 -44.9637 -23.5043 41.4375 80.0424 -44.9637 80.0425 61.449 GPRESSAVG: 2052000 -40.139 -23.1079 -44.9218 -24.0645 40.8338 81.6859 -43.2517 81.2855 61.5475 TIMING: 2052000 CPU: 6107.14, 0.00300138/step Wall: 6107.14, 0.00300138/step, 2.45779 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: 2052000 765.9530 2069.2813 1957.6097 98.3466 -205868.8753 17656.3297 0.0000 0.0000 34374.7076 -148946.6473 300.2029 -183321.3549 -148856.2581 299.9592 -8.0505 26.8996 556071.6594 20.7340 20.7474 PRESSURE: 2052200 39.0598 -24.6781 -20.2635 -24.6777 -142.603 116.252 -20.2628 116.252 -11.6097 GPRESSURE: 2052200 108.691 -88.8723 -67.3671 54.4238 -108.552 87.2869 -15.2931 124.617 -19.7567 PRESSAVG: 2052200 -24.6493 0.439587 59.0048 0.439585 -68.867 -10.1156 59.0048 -10.1156 63.3614 GPRESSAVG: 2052200 -25.2613 1.27914 58.4377 -0.455752 -66.6299 -8.82892 59.1351 -10.3715 62.011 TIMING: 2052200 CPU: 6107.73, 0.00298565/step Wall: 6107.73, 0.00298565/step, 2.44475 hours remaining, 205.218750 MB of memory in use. ENERGY: 2052200 748.6382 2055.1695 1928.3971 106.1580 -205854.4200 17812.3865 0.0000 0.0000 34062.4078 -149141.2629 297.4755 -183203.6707 -149041.6398 299.4566 -38.3845 -6.5392 556792.3734 -10.0516 -9.9601 LDB: ============= START OF LOAD BALANCING ============== 6111.16 LDB: ============== END OF LOAD BALANCING =============== 6111.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6111.16 LDB: ============= START OF LOAD BALANCING ============== 6111.46 LDB: Largest compute 4821 load 0.027271 is 23.1% of average load 0.118009 LDB: Average compute 0.001718 is 1.5% of average load 0.118009 LDB: TIME 6111.46 LOAD: AVG 0.118009 MAX 0.201593 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.48 MB LDB: TIME 6111.46 LOAD: AVG 0.118009 MAX 0.201593 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.484 MB LDB: TIME 6111.47 LOAD: AVG 0.118009 MAX 0.201593 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6111.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6111.47 PRESSURE: 2052400 -226.459 68.5898 -11.242 68.5902 -138.184 2.17516 -11.2414 2.17363 -66.1613 GPRESSURE: 2052400 -160.155 28.3907 -92.8829 60.3568 -124.966 0.358823 57.5235 30.5724 -53.2521 PRESSAVG: 2052400 27.3311 -35.0923 3.10999 -35.0923 -5.92257 -16.095 3.10993 -16.095 -5.80716 GPRESSAVG: 2052400 27.4553 -35.5394 3.42785 -35.3203 -7.22673 -17.0779 1.20286 -16.1218 -4.83433 TIMING: 2052400 CPU: 6108.34, 0.00303385/step Wall: 6108.34, 0.00303385/step, 2.48405 hours remaining, 205.429688 MB of memory in use. ENERGY: 2052400 741.1696 2015.5768 1956.2770 131.9193 -206336.1162 17816.8147 0.0000 0.0000 34525.4819 -149148.8769 301.5196 -183674.3589 -149051.6986 299.1966 -143.6014 -112.7912 558546.8638 5.2005 5.1314 PRESSURE: 2052600 65.0996 -82.9672 85.6955 -82.9673 -23.4253 147.679 85.6942 147.678 -101.373 GPRESSURE: 2052600 132.087 -49.3534 116.613 -70.0911 -15.6498 167.13 28.387 140.66 -75.4704 PRESSAVG: 2052600 -33.618 -35.9466 -11.9982 -35.9466 -14.5132 -17.9826 -11.9983 -17.9825 2.52293 GPRESSAVG: 2052600 -34.1487 -33.3038 -11.694 -36.1642 -14.032 -17.1879 -11.3118 -17.4418 2.91694 TIMING: 2052600 CPU: 6108.94, 0.00301025/step Wall: 6108.94, 0.00301025/step, 2.46456 hours remaining, 205.429688 MB of memory in use. ENERGY: 2052600 758.6454 2078.0320 1968.1087 109.3107 -206215.4021 17952.0424 0.0000 0.0000 34362.7893 -148986.4735 300.0988 -183349.2628 -148889.0220 300.0158 -19.8996 13.6555 558561.7205 -15.2028 -15.0879 PRESSURE: 2052800 -106.235 -24.5591 -50.2939 -24.5583 191.574 19.8761 -50.294 19.8749 296.451 GPRESSURE: 2052800 -70.2671 -75.7951 -70.8444 103.109 202.011 10.8882 -32.65 17.8814 347.441 PRESSAVG: 2052800 10.2568 0.366618 -24.1588 0.366643 -16.7164 40.4104 -24.1587 40.4104 27.875 GPRESSAVG: 2052800 12.0577 -2.27564 -23.7228 2.41187 -17.9968 37.4735 -23.3482 41.574 28.0133 TIMING: 2052800 CPU: 6109.54, 0.00300524/step Wall: 6109.54, 0.00300524/step, 2.46029 hours remaining, 205.429688 MB of memory in use. ENERGY: 2052800 773.4136 2131.6066 1946.0139 107.3345 -206435.5295 18085.6096 0.0000 0.0000 34270.3755 -149121.1758 299.2917 -183391.5513 -149035.2121 300.1034 127.2632 159.7283 557289.9018 7.1385 7.3581 PRESSURE: 2053000 114.707 -104.589 170.467 -104.588 -146.516 95.7126 170.466 95.714 -25.367 GPRESSURE: 2053000 126.419 -70.0711 192.859 -125.294 -116.732 81.6391 132.17 179.492 26.1449 PRESSAVG: 2053000 -21.7628 58.5567 25.0083 58.5569 31.7531 -1.48951 25.0082 -1.48958 -3.75461 GPRESSAVG: 2053000 -22.4514 61.087 24.3162 56.8832 32.2571 -0.564825 24.6079 -1.90304 -3.54015 TIMING: 2053000 CPU: 6110.14, 0.0029852/step Wall: 6110.14, 0.0029852/step, 2.44371 hours remaining, 205.429688 MB of memory in use. ENERGY: 2053000 765.3956 2083.9312 1984.5895 118.9761 -206238.1553 17877.4732 0.0000 0.0000 34414.0120 -148993.7778 300.5461 -183407.7898 -148899.4896 299.8511 -19.0584 11.9439 558408.5580 2.0786 2.0885 PRESSURE: 2053200 -369.563 -57.2976 237.831 -57.2969 -79.7965 -33.1975 237.831 -33.1977 -316.697 GPRESSURE: 2053200 -339.933 -31.7761 306.071 -116.639 -113.93 -78.2135 283.076 34.4398 -228.027 PRESSAVG: 2053200 33.4521 25.0021 2.94321 25.0022 -71.8687 1.10354 2.94312 1.10355 41.5313 GPRESSAVG: 2053200 33.9542 25.0206 3.0478 22.9982 -71.5693 1.27156 3.06738 0.149261 41.1397 TIMING: 2053200 CPU: 6110.74, 0.00298077/step Wall: 6110.74, 0.00298077/step, 2.43993 hours remaining, 205.429688 MB of memory in use. ENERGY: 2053200 776.3476 2098.7693 1972.6060 109.1043 -206116.5487 17650.1514 0.0000 0.0000 34521.9124 -148987.6576 301.4884 -183509.5700 -148891.9865 300.0683 -255.3523 -227.2967 559996.9508 1.0382 1.1749 PRESSURE: 2053400 -47.4593 -104.683 61.8229 -104.682 -92.6182 103.563 61.8221 103.563 -121.509 GPRESSURE: 2053400 0.676984 -42.8586 55.4385 -85.0385 -81.637 152.076 68.9554 50.3126 -85.4734 PRESSAVG: 2053400 -35.7535 7.81684 36.9657 7.81683 8.49226 -18.8822 36.9657 -18.8821 49.8432 GPRESSAVG: 2053400 -35.8961 5.44513 37.5276 11.6052 8.36631 -18.56 36.1865 -20.641 50.2894 TIMING: 2053400 CPU: 6111.34, 0.00300913/step Wall: 6111.34, 0.00300913/step, 2.46298 hours remaining, 205.429688 MB of memory in use. ENERGY: 2053400 765.7824 2058.0088 1919.4594 110.8272 -205806.1650 17605.5053 0.0000 0.0000 34519.2952 -148827.2866 301.4656 -183346.5818 -148725.8478 300.9858 -87.1954 -55.4778 559910.4294 7.5273 7.5865 PRESSURE: 2053600 128.224 4.70792 77.3737 4.70801 90.5968 -54.5669 77.3744 -54.5666 92.0065 GPRESSURE: 2053600 131.32 100.774 59.0499 38.831 118.199 -92.9942 62.7673 -89.5408 150.917 PRESSAVG: 2053600 -9.33331 -1.60752 7.34705 -1.6076 48.8853 -16.7369 7.34697 -16.7369 -23.9186 GPRESSAVG: 2053600 -9.13947 -0.589501 6.56317 -2.55273 48.508 -18.7298 7.76491 -14.2697 -23.4016 TIMING: 2053600 CPU: 6111.94, 0.00298658/step Wall: 6111.94, 0.00298658/step, 2.44435 hours remaining, 205.429688 MB of memory in use. ENERGY: 2053600 807.8347 2061.1405 1963.4907 110.0332 -206063.0413 17915.5588 0.0000 0.0000 34142.2050 -149062.7785 298.1724 -183204.9834 -148957.8572 299.9626 103.6090 133.4786 557916.1750 5.2111 5.3223 PRESSURE: 2053800 142.699 -89.7526 103.631 -89.7537 -142.663 234.073 103.631 234.073 -84.0555 GPRESSURE: 2053800 185.789 -93.2977 95.1394 -82.0587 -111.149 217.497 65.9648 249.347 -74.1351 PRESSAVG: 2053800 3.65069 -23.2174 -28.2109 -23.2174 23.76 49.6199 -28.211 49.6198 -24.3248 GPRESSAVG: 2053800 3.65747 -24.8565 -27.9912 -23.2996 24.9286 50.3537 -27.5796 49.0579 -25.51 TIMING: 2053800 CPU: 6112.54, 0.00299534/step Wall: 6112.54, 0.00299534/step, 2.45135 hours remaining, 205.429688 MB of memory in use. ENERGY: 2053800 790.8531 2080.2009 1951.6435 111.4015 -206212.3421 17897.3861 0.0000 0.0000 34360.1900 -149020.6671 300.0761 -183380.8571 -148921.4277 299.6642 -28.0063 0.1683 556369.1431 1.0286 1.0254 PRESSURE: 2054000 -122.255 -51.0479 221.942 -51.0488 10.4829 24.4278 221.943 24.427 -3.54848 GPRESSURE: 2054000 -111.962 -114.44 192.901 -58.8603 84.9994 35.8487 231.404 34.0704 1.15592 PRESSAVG: 2054000 36.6412 2.68817 9.97816 2.68813 -7.0273 66.0045 9.97813 66.0045 -5.54395 GPRESSAVG: 2054000 36.349 2.77815 8.71538 0.949319 -7.90979 68.5012 11.7767 63.2413 -4.59148 TIMING: 2054000 CPU: 6113.14, 0.00300303/step Wall: 6113.14, 0.00300303/step, 2.45748 hours remaining, 205.429688 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: 2054000 771.5508 2091.4061 1967.1316 124.2416 -206330.7965 17820.6679 0.0000 0.0000 34339.0451 -149216.7534 299.8914 -183555.7984 -149120.0269 299.6651 -38.4403 -8.6023 556222.2287 8.0233 7.9493 PRESSURE: 2054200 -258.053 48.0301 154.518 48.0306 220.005 -67.7941 154.519 -67.7941 171.128 GPRESSURE: 2054200 -226.808 67.7494 243.047 37.9148 238.79 -8.99966 104.745 -122.247 218.969 PRESSAVG: 2054200 10.4805 -20.9631 73.0517 -20.9631 23.8359 -47.6596 73.0517 -47.6595 -29.8752 GPRESSAVG: 2054200 10.96 -19.9727 74.574 -18.9795 23.4517 -50.8992 69.2695 -44.4812 -30.27 TIMING: 2054200 CPU: 6113.74, 0.00300609/step Wall: 6113.74, 0.00300609/step, 2.45981 hours remaining, 205.429688 MB of memory in use. ENERGY: 2054200 769.9666 2073.6341 1972.3623 117.7531 -206489.9979 17932.7462 0.0000 0.0000 34358.4942 -149265.0415 300.0613 -183623.5357 -149173.2278 299.2704 44.3598 76.9838 556255.5043 1.4804 1.3806 PRESSURE: 2054400 -298.077 113.365 117.885 113.364 -289.082 21.0018 117.884 21.0027 -358.77 GPRESSURE: 2054400 -222.163 167.991 74.162 77.6566 -277.225 57.9657 85.4872 13.2812 -345.01 PRESSAVG: 2054400 -20.3683 31.0802 39.588 31.0803 24.0487 12.6268 39.5879 12.6268 1.15981 GPRESSAVG: 2054400 -19.6496 30.9775 39.9253 28.8985 23.8139 14.5722 39.8893 12.0509 0.218648 TIMING: 2054400 CPU: 6114.34, 0.00299891/step Wall: 6114.34, 0.00299891/step, 2.45377 hours remaining, 205.429688 MB of memory in use. ENERGY: 2054400 759.5481 2076.4681 1944.4200 119.3002 -205677.3584 17297.3580 0.0000 0.0000 34450.1937 -149030.0704 300.8621 -183480.2641 -148925.5141 299.6167 -315.3096 -281.4659 557284.5265 1.6134 1.4610 PRESSURE: 2054600 -35.751 6.78606 -32.3738 6.78693 -32.8251 -80.1581 -32.3737 -80.1595 258.434 GPRESSURE: 2054600 37.4738 -10.5757 -101.614 -38.1338 -28.1509 -95.7791 18.5726 -21.998 263.334 PRESSAVG: 2054600 -24.1907 12.9537 -6.18486 12.9537 -20.4923 -9.02219 -6.18487 -9.02215 23.2143 GPRESSAVG: 2054600 -26.0133 13.2311 -8.35402 13.3622 -20.5598 -10.3238 -4.28951 -8.45329 24.8929 TIMING: 2054600 CPU: 6114.93, 0.00297506/step Wall: 6114.93, 0.00297505/step, 2.43409 hours remaining, 205.429688 MB of memory in use. ENERGY: 2054600 758.3311 2077.1790 1958.2295 121.0798 -206063.6285 17740.2470 0.0000 0.0000 34313.8631 -149094.6989 299.6715 -183408.5620 -149003.7127 299.7673 63.2860 90.8856 556680.6184 -7.1562 -7.2267 PRESSURE: 2054800 113.667 -44.3021 -9.51083 -44.3029 -52.3603 -73.563 -9.51015 -73.5634 123.291 GPRESSURE: 2054800 183.767 -78.9069 -1.61881 -15.3633 -62.2797 -57.8535 -22.34 -106.509 158.752 PRESSAVG: 2054800 59.4199 -17.9079 1.38798 -17.9078 -10.1331 2.24226 1.38804 2.24222 -25.1269 GPRESSAVG: 2054800 60.2398 -17.6237 2.56163 -17.6378 -9.10345 4.71114 0.576165 0.0891357 -27.6135 TIMING: 2054800 CPU: 6115.53, 0.00298729/step Wall: 6115.53, 0.00298729/step, 2.44394 hours remaining, 205.429688 MB of memory in use. ENERGY: 2054800 741.0544 2097.2064 1939.5323 121.7210 -206309.1579 17895.0014 0.0000 0.0000 34373.6403 -149141.0020 300.1936 -183514.6424 -149042.3690 299.5720 61.5327 93.4130 556069.6611 8.0533 7.8410 PRESSURE: 2055000 -102.3 59.092 -185.046 59.0921 178.317 4.30443 -185.045 4.3049 -202.143 GPRESSURE: 2055000 -68.9242 5.99317 -130.166 53.0846 168.306 -39.8141 -169.943 35.7074 -132.795 PRESSAVG: 2055000 37.076 -40.1457 -33.1544 -40.1457 22.7708 24.0551 -33.1544 24.0552 -34.451 GPRESSAVG: 2055000 36.3056 -40.549 -32.1122 -39.7367 22.362 23.7419 -33.9101 24.1732 -33.0847 TIMING: 2055000 CPU: 6116.13, 0.00299488/step Wall: 6116.13, 0.00299488/step, 2.44998 hours remaining, 205.429688 MB of memory in use. ENERGY: 2055000 734.5944 2133.4345 1953.9723 120.6729 -205943.9674 17685.1611 0.0000 0.0000 34300.1853 -149015.9469 299.5520 -183316.1323 -148925.4280 299.8621 -42.0418 -11.1380 558065.2146 8.4653 8.5276 PRESSURE: 2055200 -188.451 89.2853 46.3244 89.2856 -121.284 25.1236 46.3234 25.1251 67.257 GPRESSURE: 2055200 -161.708 -22.9866 13.4482 126.165 -67.7596 57.6743 93.6117 -24.7216 80.3126 PRESSAVG: 2055200 13.4981 -23.2363 -14.428 -23.2363 73.9225 13.2608 -14.428 13.2608 -84.9795 GPRESSAVG: 2055200 13.4394 -23.495 -18.9434 -24.7403 73.2437 13.9073 -14.5791 12.6372 -84.1039 TIMING: 2055200 CPU: 6116.73, 0.00300467/step Wall: 6116.73, 0.00300467/step, 2.45782 hours remaining, 205.429688 MB of memory in use. ENERGY: 2055200 731.6334 2112.1607 1918.1809 114.8789 -205813.1382 17634.8711 0.0000 0.0000 34360.3298 -148941.0834 300.0773 -183301.4132 -148846.3245 299.8449 -80.8262 -49.7183 558893.9911 0.8137 0.8597 PRESSURE: 2055400 -273.526 148.643 -22.7434 148.643 -453.414 83.5954 -22.7429 83.5953 107.132 GPRESSURE: 2055400 -239.674 149.159 -34.0848 139.54 -382.965 155.698 -81.1177 109.969 90.9696 PRESSAVG: 2055400 23.563 -39.0473 45.9013 -39.0473 0.679681 0.770741 45.9013 0.770703 -11.8112 GPRESSAVG: 2055400 24.077 -37.5882 50.4313 -37.9042 0.229458 -2.00772 47.1254 2.92218 -12.0289 TIMING: 2055400 CPU: 6117.33, 0.0030015/step Wall: 6117.33, 0.0030015/step, 2.45506 hours remaining, 205.429688 MB of memory in use. ENERGY: 2055400 737.5224 2201.0547 1949.2233 112.8411 -205872.6343 17533.6096 0.0000 0.0000 34378.2243 -148960.1589 300.2336 -183338.3833 -148863.5358 300.1742 -206.6030 -177.2229 559069.9856 4.1438 4.0925 PRESSURE: 2055600 112.078 5.10304 19.8448 5.10381 -74.5245 13.8427 19.8448 13.8425 99.9445 GPRESSURE: 2055600 176.326 -63.0702 36.127 -59.4723 -58.0554 54.3179 72.7701 -85.425 114.033 PRESSAVG: 2055600 28.4799 -13.2872 6.03328 -13.2872 -50.4885 -40.6207 6.03328 -40.6208 9.59287 GPRESSAVG: 2055600 28.4391 -14.0995 2.25166 -13.6004 -49.9564 -37.8492 9.07784 -42.9687 8.65756 TIMING: 2055600 CPU: 6117.93, 0.00301448/step Wall: 6117.93, 0.00301448/step, 2.46551 hours remaining, 205.429688 MB of memory in use. ENERGY: 2055600 727.4520 2118.6524 1975.6980 104.8922 -206066.9887 17951.7510 0.0000 0.0000 34411.6790 -148776.8640 300.5258 -183188.5431 -148672.9722 300.5589 45.8326 77.4345 556323.1268 -4.1386 -4.2866 PRESSURE: 2055800 101.251 -54.1592 51.3611 -54.1606 -48.3401 -108.047 51.3606 -108.048 -25.8627 GPRESSURE: 2055800 138.647 -54.7292 102.575 -41.6197 -36.6683 -165.496 16.3323 -85.6414 18.3896 PRESSAVG: 2055800 96.3018 -52.2021 43.6315 -52.2021 -92.0038 6.80163 43.6315 6.80163 66.524 GPRESSAVG: 2055800 96.1172 -53.0169 44.9594 -50.5247 -91.4391 3.7554 40.7651 8.17787 66.1505 TIMING: 2055800 CPU: 6118.53, 0.00300889/step Wall: 6118.53, 0.00300889/step, 2.46077 hours remaining, 205.429688 MB of memory in use. ENERGY: 2055800 740.0841 2125.7992 1968.8950 135.7506 -205814.9715 17751.4482 0.0000 0.0000 34344.8898 -148748.1045 299.9425 -183092.9943 -148657.7847 300.8692 9.0162 40.1226 557527.1484 23.6073 23.6096 PRESSURE: 2056000 -46.9048 -155.568 -76.5382 -155.568 275.015 114.676 -76.5374 114.676 22.9448 GPRESSURE: 2056000 -36.75 -156.809 -73.4698 -181.31 265.527 168.994 -111.53 96.0222 104.799 PRESSAVG: 2056000 61.2348 3.0376 24.5987 3.03769 -12.0851 19.83 24.5987 19.8301 -24.9422 GPRESSAVG: 2056000 61.1021 3.03626 24.2355 3.44814 -13.5033 22.4192 25.094 18.6292 -23.6808 TIMING: 2056000 CPU: 6119.14, 0.00300566/step Wall: 6119.14, 0.00300566/step, 2.45796 hours remaining, 205.429688 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: 2056000 770.7477 2103.2188 1975.8164 122.5769 -205949.5205 17664.0050 0.0000 0.0000 34312.7619 -149000.3939 299.6619 -183313.1557 -148904.4396 300.3379 83.6851 111.1920 556446.2944 8.0692 7.9727 PRESSURE: 2056200 56.0144 84.8485 -53.0463 84.8483 -34.3502 255.643 -53.0467 255.644 433.864 GPRESSURE: 2056200 66.0031 97.391 -19.3934 20.4937 -36.7077 325.17 -77.4287 286.155 515.584 PRESSAVG: 2056200 33.9181 24.8108 -54.2566 24.8108 -28.5116 13.4763 -54.2567 13.4762 -28.4089 GPRESSAVG: 2056200 33.8575 26.4955 -54.7988 23.6756 -28.9489 12.8611 -52.597 16.5977 -28.0678 TIMING: 2056200 CPU: 6119.73, 0.00299028/step Wall: 6119.73, 0.00299028/step, 2.44521 hours remaining, 205.429688 MB of memory in use. ENERGY: 2056200 735.2428 2097.9920 1945.8249 99.2352 -205809.8088 17851.6003 0.0000 0.0000 34093.4781 -148986.4355 297.7468 -183079.9136 -148892.2617 300.1636 151.8427 181.6263 557105.0138 -7.6675 -7.7198 LDB: ============= START OF LOAD BALANCING ============== 6123.16 LDB: ============== END OF LOAD BALANCING =============== 6123.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6123.16 LDB: ============= START OF LOAD BALANCING ============== 6123.47 LDB: Largest compute 4821 load 0.027981 is 23.7% of average load 0.118051 LDB: Average compute 0.001714 is 1.5% of average load 0.118051 LDB: TIME 6123.47 LOAD: AVG 0.118051 MAX 0.199624 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 6123.47 LOAD: AVG 0.118051 MAX 0.199624 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: TIME 6123.47 LOAD: AVG 0.118051 MAX 0.199624 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6123.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6123.47 PRESSURE: 2056400 -171.533 -115.208 -15.658 -115.207 -66.3067 149.448 -15.6567 149.449 129.613 GPRESSURE: 2056400 -144.151 -88.631 17.0767 -168.254 -3.30579 225.342 12.2225 125.257 127.73 PRESSAVG: 2056400 2.21407 8.76542 -39.5293 8.76536 -11.6053 30.1183 -39.5294 30.1183 44.637 GPRESSAVG: 2056400 2.72565 9.41704 -40.7153 9.83697 -10.3674 28.2417 -39.5037 28.4321 43.1824 TIMING: 2056400 CPU: 6120.34, 0.00305243/step Wall: 6120.34, 0.00305243/step, 2.49587 hours remaining, 205.941406 MB of memory in use. ENERGY: 2056400 729.0353 2075.7980 1945.6639 104.7993 -206121.3968 17843.9004 0.0000 0.0000 34425.7640 -148996.4360 300.6488 -183422.2000 -148897.4857 299.8436 -36.0753 -6.5757 558297.3849 11.7486 11.8469 PRESSURE: 2056600 -275.396 -23.3993 113.021 -23.3986 -33.683 -23.2194 113.02 -23.2188 -104.407 GPRESSURE: 2056600 -213.581 -45.7493 134.265 40.5798 -24.3923 13.3339 121.014 -3.94701 -77.0029 PRESSAVG: 2056600 -42.4728 46.0416 -4.08315 46.0417 8.94866 -23.4345 -4.0832 -23.4345 -11.1779 GPRESSAVG: 2056600 -42.1019 45.3787 -3.66359 47.0633 8.83401 -21.2029 -5.52274 -23.2953 -11.1819 TIMING: 2056600 CPU: 6120.94, 0.00299918/step Wall: 6120.94, 0.00299918/step, 2.45217 hours remaining, 205.996094 MB of memory in use. ENERGY: 2056600 752.4180 2091.2004 1947.6933 110.9425 -205546.3164 17641.8121 0.0000 0.0000 33976.6819 -149025.5682 296.7268 -183002.2501 -148932.6514 299.6621 -137.8288 -104.9922 560129.4967 -14.9007 -14.8166 PRESSURE: 2056800 104.334 -83.8461 28.9456 -83.8468 -141.688 45.2913 28.9461 45.2914 86.5494 GPRESSURE: 2056800 131.913 -188.188 51.5093 -19.6467 -91.0546 2.49779 14.6855 50.9467 101.888 PRESSAVG: 2056800 -4.92948 47.6497 66.2304 47.6497 -8.40832 -43.9519 66.2304 -43.9519 40.0189 GPRESSAVG: 2056800 -5.16099 46.0062 67.9875 47.707 -9.5546 -45.1285 66.1832 -44.8038 41.3442 TIMING: 2056800 CPU: 6121.54, 0.00299272/step Wall: 6121.54, 0.00299272/step, 2.44671 hours remaining, 205.996094 MB of memory in use. ENERGY: 2056800 762.1067 2045.9663 1939.9753 108.2381 -205883.9413 17579.3428 0.0000 0.0000 34387.2412 -149061.0709 300.3123 -183448.3122 -148973.2068 299.7468 16.3986 47.5823 556426.9350 8.8937 8.8762 PRESSURE: 2057000 -115.298 -41.5626 -76.2307 -41.5647 141.573 -144.295 -76.2293 -144.295 -57.6456 GPRESSURE: 2057000 -94.1781 -96.4781 -113.461 -8.63087 169.789 -188.099 -71.7632 -117.75 0.278377 PRESSAVG: 2057000 27.4166 33.0655 1.60179 33.0656 -46.6202 18.8642 1.60177 18.8642 10.8139 GPRESSAVG: 2057000 26.8531 34.4961 2.36845 30.2825 -45.7354 20.7057 1.26184 16.3967 10.6376 TIMING: 2057000 CPU: 6122.14, 0.00299559/step Wall: 6122.14, 0.00299559/step, 2.4489 hours remaining, 205.996094 MB of memory in use. ENERGY: 2057000 713.9144 2127.3174 1941.5642 114.3007 -206145.5773 17869.7946 0.0000 0.0000 34437.6409 -148941.0451 300.7525 -183378.6860 -148851.4416 300.2456 -10.4567 25.2963 558528.5900 -2.7965 -2.7483 PRESSURE: 2057200 -382.356 -93.3192 -62.9765 -93.3191 -293.586 169.236 -62.9784 169.236 -143.611 GPRESSURE: 2057200 -366.895 -122.186 -72.7445 -95.9565 -244.267 183.447 -53.3223 114.437 -116.052 PRESSAVG: 2057200 16.2192 -35.2567 11.3078 -35.2566 -19.6241 28.4012 11.3077 28.4013 0.936115 GPRESSAVG: 2057200 16.2298 -34.9296 9.65232 -34.5148 -18.7352 26.1055 11.8428 32.1725 0.0524249 TIMING: 2057200 CPU: 6122.74, 0.00298793/step Wall: 6122.74, 0.00298793/step, 2.44247 hours remaining, 205.996094 MB of memory in use. ENERGY: 2057200 755.3583 2104.6853 1957.2936 107.1969 -205719.3638 17464.3224 0.0000 0.0000 34247.9402 -149082.5670 299.0958 -183330.5072 -148986.1636 299.6151 -273.1842 -242.4043 557119.7705 -0.8229 -0.8177 PRESSURE: 2057400 -155.818 -52.5508 -29.6776 -52.5498 -282.519 -83.9198 -29.6791 -83.9211 -328.223 GPRESSURE: 2057400 -89.4176 -90.4516 -2.66556 24.3536 -251.111 -87.5778 -67.0373 -158.421 -330.505 PRESSAVG: 2057400 48.3348 -9.31251 -38.0244 -9.31248 -51.3678 46.997 -38.0244 46.997 16.1397 GPRESSAVG: 2057400 47.9918 -8.80751 -38.0987 -9.03662 -52.975 49.452 -37.3932 43.5163 17.6982 TIMING: 2057400 CPU: 6123.34, 0.00299068/step Wall: 6123.34, 0.00299068/step, 2.44455 hours remaining, 205.996094 MB of memory in use. ENERGY: 2057400 759.4813 2040.6765 1933.6854 121.8654 -205678.4394 17294.7594 0.0000 0.0000 34552.2826 -148975.6889 301.7537 -183527.9715 -148878.5592 299.3154 -255.5200 -223.6780 559026.9725 4.3689 4.2383 PRESSURE: 2057600 -78.2805 -41.7171 78.3939 -41.718 94.9594 27.4832 78.3941 27.4832 -64.4591 GPRESSURE: 2057600 -11.1622 -137.009 41.4586 30.6907 170.443 -57.0165 164.752 91.9203 -102.793 PRESSAVG: 2057600 45.8098 -14.1395 -15.8825 -14.1396 -65.219 -42.7494 -15.8826 -42.7493 -6.16397 GPRESSAVG: 2057600 47.1833 -15.3759 -16.1712 -12.7789 -65.3757 -44.6593 -13.932 -40.9846 -6.54692 TIMING: 2057600 CPU: 6123.94, 0.0029968/step Wall: 6123.94, 0.0029968/step, 2.44938 hours remaining, 205.996094 MB of memory in use. ENERGY: 2057600 737.4478 2102.8023 1968.1442 127.1333 -205619.8905 17719.1383 0.0000 0.0000 34035.9245 -148929.3000 297.2442 -182965.2245 -148831.0565 300.3635 -15.9267 18.8292 559583.6871 -8.5244 -8.2464 PRESSURE: 2057800 -363.811 112.121 -80.7214 112.12 72.4497 -186.331 -80.7219 -186.333 12.8795 GPRESSURE: 2057800 -335.408 111.276 2.258 125.449 93.1033 -113.58 -118.789 -246.149 53.8179 PRESSAVG: 2057800 46.0953 25.9679 25.6524 25.9678 -87.2142 -105.258 25.6523 -105.258 49.0113 GPRESSAVG: 2057800 44.9092 27.0224 27.2942 25.992 -85.3929 -105.379 21.5211 -105.163 48.5517 TIMING: 2057800 CPU: 6124.53, 0.00298348/step Wall: 6124.53, 0.00298348/step, 2.43833 hours remaining, 205.996094 MB of memory in use. ENERGY: 2057800 724.9497 2122.4153 1959.8481 107.9169 -206036.0482 17624.6540 0.0000 0.0000 34558.7988 -148937.4654 301.8106 -183496.2641 -148847.1594 300.1828 -92.8273 -62.8288 557558.1682 2.6308 2.6893 PRESSURE: 2058000 227.123 86.7347 -172.843 86.734 -59.0853 -114.832 -172.844 -114.833 66.676 GPRESSURE: 2058000 251.541 48.6083 -216.485 97.8078 0.0877699 -113.391 -143.294 -85.6157 69.2137 PRESSAVG: 2058000 72.7796 33.3333 -68.6948 33.3333 -60.6962 -57.4302 -68.6947 -57.4301 31.0774 GPRESSAVG: 2058000 71.8655 34.0289 -68.703 32.0571 -61.3696 -58.3204 -66.1599 -56.8062 32.8075 TIMING: 2058000 CPU: 6125.13, 0.00299567/step Wall: 6125.13, 0.00299567/step, 2.44813 hours remaining, 205.996094 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: 2058000 760.9365 2080.8334 1935.8573 120.1780 -205735.1574 17833.4061 0.0000 0.0000 34110.6690 -148893.2771 297.8970 -183003.9460 -148799.1804 299.5489 78.2378 106.9476 558084.6276 14.3870 14.4345 PRESSURE: 2058200 122.845 -0.207468 134.124 -0.207336 -58.614 -37.0481 134.123 -37.0486 -89.0592 GPRESSURE: 2058200 178.637 -4.38749 176.151 2.49036 -38.2903 0.563457 53.9176 -96.4193 -70.7689 PRESSAVG: 2058200 11.789 35.2492 -4.92589 35.2492 -40.4179 -31.1394 -4.9259 -31.1393 15.3011 GPRESSAVG: 2058200 12.4207 36.1222 -5.15823 35.8883 -40.6301 -30.897 -6.50263 -32.2928 14.6897 TIMING: 2058200 CPU: 6125.73, 0.00300487/step Wall: 6125.73, 0.00300487/step, 2.45548 hours remaining, 205.996094 MB of memory in use. ENERGY: 2058200 720.1336 2151.4072 1918.2981 112.8266 -206091.4030 17804.5045 0.0000 0.0000 34530.6272 -148853.6057 301.5646 -183384.2330 -148762.2672 300.1105 -8.2761 23.1927 558198.2550 -4.4426 -4.5066 PRESSURE: 2058400 -79.2149 -242.001 101.73 -242 112.152 -30.7465 101.729 -30.7466 370.183 GPRESSURE: 2058400 -4.49497 -176.152 151.374 -335.142 53.3886 -79.3693 75.2504 -47.986 452.118 PRESSAVG: 2058400 -13.527 -43.7145 32.4743 -43.7145 19.1075 23.4309 32.4744 23.4309 -39.4449 GPRESSAVG: 2058400 -13.2812 -43.8095 31.5133 -46.1222 17.7682 22.7543 33.2512 23.5115 -38.9404 TIMING: 2058400 CPU: 6126.33, 0.00299259/step Wall: 6126.33, 0.00299259/step, 2.44528 hours remaining, 205.996094 MB of memory in use. ENERGY: 2058400 726.4627 2068.1190 1956.4714 124.4342 -206063.2528 17972.2460 0.0000 0.0000 34187.5466 -149027.9729 298.5683 -183215.5195 -148929.1919 299.5199 134.3735 167.0038 557879.9645 -11.2881 -11.4844 PRESSURE: 2058600 -213.01 21.2273 143.075 21.2267 -252.725 -204.104 143.077 -204.104 -135.201 GPRESSURE: 2058600 -245.892 -18.7329 97.4936 98.4489 -184.04 -165.826 152.442 -159.542 -73.7572 PRESSAVG: 2058600 -9.92182 -37.3637 -37.9368 -37.3637 -4.99105 -25.0523 -37.9367 -25.0523 16.3954 GPRESSAVG: 2058600 -9.52819 -40.2036 -36.7399 -32.5757 -4.86024 -23.0021 -38.2116 -26.698 16.1402 TIMING: 2058600 CPU: 6126.92, 0.00295718/step Wall: 6126.92, 0.00295718/step, 2.41618 hours remaining, 205.996094 MB of memory in use. ENERGY: 2058600 799.6824 2128.9512 1937.5730 111.9110 -205878.5095 17545.5387 0.0000 0.0000 34243.5270 -149111.3262 299.0572 -183354.8532 -149020.4765 299.4258 -200.3118 -167.8962 557101.4037 0.4942 0.5839 PRESSURE: 2058800 -206.864 40.059 29.3957 40.0586 -57.3678 21.0593 29.3952 21.0597 -238.513 GPRESSURE: 2058800 -98.4869 50.168 126.856 15.8037 -69.2327 -19.1041 21.4593 57.2978 -239.434 PRESSAVG: 2058800 58.746 13.5901 13.3674 13.5901 -43.213 -39.6176 13.3674 -39.6174 9.68771 GPRESSAVG: 2058800 58.2552 14.8279 14.1873 9.52157 -41.8284 -39.1142 11.8621 -37.7488 8.92381 TIMING: 2058800 CPU: 6127.52, 0.00297643/step Wall: 6127.52, 0.00297643/step, 2.43174 hours remaining, 205.996094 MB of memory in use. ENERGY: 2058800 758.1465 2031.3338 1980.3877 116.2757 -205966.0643 17522.2048 0.0000 0.0000 34336.2640 -149221.4518 299.8671 -183557.7158 -149122.5867 300.0935 -167.5818 -135.7180 557996.1794 8.4069 8.4502 PRESSURE: 2059000 233.281 -69.9035 -86.2773 -69.903 84.6224 46.0517 -86.2784 46.0534 238.791 GPRESSURE: 2059000 200.385 -91.1949 -75.7264 -13.4903 143.474 -0.272325 -77.2105 85.3928 304.043 PRESSAVG: 2059000 -27.0582 -12.7885 19.075 -12.7885 -13.577 5.58664 19.0749 5.58663 34.8068 GPRESSAVG: 2059000 -29.0675 -13.6934 18.8495 -11.1685 -12.7157 4.01094 20.2736 6.31149 35.713 TIMING: 2059000 CPU: 6128.11, 0.00296744/step Wall: 6128.11, 0.00296744/step, 2.42423 hours remaining, 205.996094 MB of memory in use. ENERGY: 2059000 751.9383 2062.8910 1958.7968 116.7802 -206564.9342 18117.9948 0.0000 0.0000 34332.3362 -149224.1969 299.8328 -183556.5331 -149124.7800 299.6085 185.5647 215.9674 557182.3912 -1.9428 -2.0234 PRESSURE: 2059200 -20.5241 34.5589 -4.64224 34.5588 -219.124 -32.1706 -4.64154 -32.1685 131.349 GPRESSURE: 2059200 11.132 32.8795 -1.80627 54.0633 -190.641 -85.2686 22.1825 -14.4182 167.697 PRESSAVG: 2059200 6.67059 36.4309 9.57888 36.431 -11.2935 -1.95815 9.5789 -1.95811 29.5397 GPRESSAVG: 2059200 8.67603 33.2887 7.03705 38.4748 -12.024 -1.75308 12.0236 -2.35947 28.7651 TIMING: 2059200 CPU: 6128.71, 0.00297497/step Wall: 6128.71, 0.00297497/step, 2.43022 hours remaining, 206.062500 MB of memory in use. ENERGY: 2059200 747.9926 2069.3869 1968.1781 114.2294 -206293.1022 17713.7791 0.0000 0.0000 34462.0831 -149217.4529 300.9659 -183679.5361 -149109.5644 300.2491 -36.0999 -3.9376 556576.8423 8.3056 8.4724 PRESSURE: 2059400 -243.92 22.7131 142.059 22.713 -179.698 -33.0735 142.06 -33.0731 137.613 GPRESSURE: 2059400 -199.614 -0.899753 75.0436 79.8593 -134.67 -43.6641 97.9221 -41.2234 143.801 PRESSAVG: 2059400 -72.0629 29.0619 -4.52248 29.0619 12.9706 -37.0029 -4.52249 -37.0028 34.5765 GPRESSAVG: 2059400 -72.4938 32.4977 -5.87518 28.9309 12.6978 -38.5455 -4.04436 -37.3354 35.3523 TIMING: 2059400 CPU: 6129.31, 0.00299659/step Wall: 6129.31, 0.00299659/step, 2.44771 hours remaining, 206.062500 MB of memory in use. ENERGY: 2059400 753.9823 2095.4228 1951.1419 119.9817 -205852.5630 17627.5841 0.0000 0.0000 34126.2104 -149178.2399 298.0327 -183304.4504 -149084.0802 299.8929 -95.3347 -63.4943 558133.1299 -8.1719 -8.1479 PRESSURE: 2059600 122.019 114.34 -84.2791 114.341 161.823 42.5412 -84.2792 42.5421 208.42 GPRESSURE: 2059600 116.946 29.9053 -99.4126 238.033 218.756 42.9319 -75.4398 -49.422 249.156 PRESSAVG: 2059600 -51.695 -10.0981 19.4071 -10.0982 -3.4214 -15.9143 19.4071 -15.9144 24.2682 GPRESSAVG: 2059600 -52.9063 -10.1682 23.0367 -10.9729 -2.02824 -13.0729 18.2759 -15.1387 23.3542 TIMING: 2059600 CPU: 6129.91, 0.00299855/step Wall: 6129.91, 0.00299855/step, 2.44915 hours remaining, 206.062500 MB of memory in use. ENERGY: 2059600 664.1341 2094.0693 1919.3591 103.6013 -206542.1253 17958.1558 0.0000 0.0000 34384.8379 -149417.9678 300.2913 -183802.8057 -149321.7208 299.7420 164.0873 194.9528 558380.3978 -10.2827 -10.5268 PRESSURE: 2059800 -128.089 -153.924 -28.1153 -153.924 -198.15 -34.2942 -28.1158 -34.2935 -266.894 GPRESSURE: 2059800 -129.643 -131.802 -75.0291 -142.19 -128.622 -132.697 10.2514 25.4358 -242.385 PRESSAVG: 2059800 46.2039 -27.622 54.2061 -27.6221 -33.0833 5.48003 54.2061 5.48003 41.1143 GPRESSAVG: 2059800 47.1386 -27.8851 54.4154 -27.4821 -34.5439 4.24204 51.8176 5.81852 41.336 TIMING: 2059800 CPU: 6130.51, 0.00300272/step Wall: 6130.51, 0.00300272/step, 2.45239 hours remaining, 206.062500 MB of memory in use. ENERGY: 2059800 733.7960 2077.2242 1941.2149 108.7447 -206249.9448 17682.9206 0.0000 0.0000 34286.9693 -149419.0749 299.4366 -183706.0443 -149325.6649 298.8426 -197.7108 -166.8836 558587.8806 18.0783 17.9769 PRESSURE: 2060000 -96.4181 86.8105 -87.1606 86.8101 32.3165 -3.26551 -87.1612 -3.26723 231.084 GPRESSURE: 2060000 -70.7842 131.456 -158.696 40.3145 90.3615 -51.3887 -0.45997 -93.1981 236.771 PRESSAVG: 2060000 -31.6697 -25.0197 -8.23099 -25.0197 -12.0743 12.22 -8.23099 12.22 30.5721 GPRESSAVG: 2060000 -33.0251 -25.4516 -9.34995 -25.3897 -11.9383 10.3184 -6.41405 12.4303 31.0782 TIMING: 2060000 CPU: 6131.11, 0.00299424/step Wall: 6131.11, 0.00299424/step, 2.4453 hours remaining, 206.062500 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: 2060000 787.7903 2112.0040 1947.9211 109.3578 -206596.6174 18088.0014 0.0000 0.0000 34218.3621 -149333.1808 298.8375 -183551.5429 -149235.5654 298.6855 55.6607 85.4496 556944.2026 -4.3907 -4.6284 PRESSURE: 2060200 119.766 -121.514 45.2926 -121.514 -83.5966 35.3868 45.2935 35.3878 63.5426 GPRESSURE: 2060200 159.371 -93.9088 132.254 -153.806 -80.8753 -39.039 68.1009 85.1461 107.984 PRESSAVG: 2060200 -5.45355 -57.6646 -10.4078 -57.6646 20.2905 70.4398 -10.4078 70.4399 14.4078 GPRESSAVG: 2060200 -4.75589 -58.4688 -9.76581 -56.2119 21.4743 71.1256 -11.5506 68.555 13.1275 TIMING: 2060200 CPU: 6131.71, 0.00300569/step Wall: 6131.71, 0.00300569/step, 2.45448 hours remaining, 206.062500 MB of memory in use. ENERGY: 2060200 735.6596 2111.3726 1937.1888 108.4774 -206259.5678 17850.8656 0.0000 0.0000 34382.1936 -149133.8102 300.2682 -183516.0038 -149036.9223 298.8732 33.2373 62.1598 556565.9817 9.7483 9.9487 LDB: ============= START OF LOAD BALANCING ============== 6135.14 LDB: ============== END OF LOAD BALANCING =============== 6135.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6135.14 LDB: ============= START OF LOAD BALANCING ============== 6135.44 LDB: Largest compute 4821 load 0.029156 is 24.7% of average load 0.118021 LDB: Average compute 0.001719 is 1.5% of average load 0.118021 LDB: TIME 6135.44 LOAD: AVG 0.118021 MAX 0.202721 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 6135.44 LOAD: AVG 0.118021 MAX 0.202721 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: TIME 6135.44 LOAD: AVG 0.118021 MAX 0.202721 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 6135.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6135.45 PRESSURE: 2060400 -169.232 5.34415 122.212 5.34429 -322.555 -108.398 122.213 -108.398 -601.214 GPRESSURE: 2060400 -150.721 45.1227 154.685 19.4707 -330.685 3.88787 135.359 -178.868 -509.004 PRESSAVG: 2060400 -23.6735 -6.05101 -18.1969 -6.05102 -1.88982 -48.8353 -18.1969 -48.8353 -23.7108 GPRESSAVG: 2060400 -22.3737 -3.16363 -18.3607 -7.17658 -3.29135 -46.1672 -18.82 -47.9331 -23.5066 TIMING: 2060400 CPU: 6132.32, 0.00304565/step Wall: 6132.32, 0.00304564/step, 2.48694 hours remaining, 207.222656 MB of memory in use. ENERGY: 2060400 767.6944 2142.1460 1944.2014 112.9258 -206218.6575 17614.1140 0.0000 0.0000 34518.6856 -149118.8903 301.4603 -183637.5759 -149023.9293 299.7112 -364.3338 -330.1367 559639.4582 -16.4247 -16.3905 PRESSURE: 2060600 -61.2623 -97.6577 -91.4608 -97.6586 -52.0113 -132.309 -91.4625 -132.307 11.7456 GPRESSURE: 2060600 25.2366 -24.8873 -117.236 -95.8427 -65.8492 -200.097 -80.2991 -85.5182 47.5952 PRESSAVG: 2060600 45.5306 -13.5676 -12.1149 -13.5675 2.96688 42.5035 -12.1149 42.5036 -40.9975 GPRESSAVG: 2060600 43.0973 -16.9347 -11.096 -12.6493 6.00737 38.8862 -12.2032 42.9012 -40.9642 TIMING: 2060600 CPU: 6132.91, 0.00299194/step Wall: 6132.91, 0.00299194/step, 2.44292 hours remaining, 207.421875 MB of memory in use. ENERGY: 2060600 757.6436 2125.4348 1946.1707 108.7809 -206131.5729 17740.0208 0.0000 0.0000 34344.5751 -149108.9469 299.9397 -183453.5221 -149009.6920 299.5951 -33.8427 2.3275 558042.7815 2.5000 2.7135 PRESSURE: 2060800 148.762 89.3162 25.5035 89.3158 83.0736 -135.447 25.5029 -135.447 350.361 GPRESSURE: 2060800 224.124 98.0034 138.104 70.3502 75.1306 -118.942 -39.598 -49.5795 382.372 PRESSAVG: 2060800 -25.2651 -5.15121 -2.44144 -5.15112 -22.4196 -37.013 -2.44148 -37.0131 74.9097 GPRESSAVG: 2060800 -24.4422 -3.8663 -2.0183 -5.39207 -24.7248 -35.0914 -3.08191 -37.7318 76.5145 TIMING: 2060800 CPU: 6133.52, 0.00300123/step Wall: 6133.52, 0.00300123/step, 2.45034 hours remaining, 207.421875 MB of memory in use. ENERGY: 2060800 719.5640 2129.8841 1965.9275 109.5915 -206130.2727 17986.6850 0.0000 0.0000 34215.2850 -149003.3357 298.8106 -183218.6206 -148904.7683 299.8102 194.0657 227.2090 556156.1022 9.0750 9.1158 PRESSURE: 2061000 90.8578 37.7473 -78.1435 37.748 -212.258 -96.1966 -78.144 -96.1963 97.1782 GPRESSURE: 2061000 143.693 23.1689 -20.3294 58.7133 -159.816 -90.9479 -77.3894 -68.5933 85.8599 PRESSAVG: 2061000 -18.8719 11.673 29.8346 11.6731 -46.0785 -11.3282 29.8346 -11.3283 106.488 GPRESSAVG: 2061000 -17.9604 11.6832 27.6301 10.6538 -46.1046 -11.3164 32.779 -10.0873 105.175 TIMING: 2061000 CPU: 6134.12, 0.0030149/step Wall: 6134.12, 0.0030149/step, 2.46133 hours remaining, 207.421875 MB of memory in use. ENERGY: 2061000 775.6191 2074.5795 1948.6237 109.8012 -205856.8067 17657.3217 0.0000 0.0000 34302.9285 -148987.9329 299.5760 -183290.8614 -148889.8088 300.3447 -8.0741 23.2456 556948.0238 13.8460 13.7033 PRESSURE: 2061200 74.9806 101.649 -49.6587 101.648 -1.83785 -104.526 -49.6588 -104.525 -198.034 GPRESSURE: 2061200 60.1545 168.381 -42.3284 55.6555 50.5763 -68.9528 -51.5872 -67.4421 -133.642 PRESSAVG: 2061200 16.6351 32.7028 49.7138 32.7028 -49.055 12.5794 49.7138 12.5793 63.985 GPRESSAVG: 2061200 15.1743 33.52 49.7431 31.7704 -47.873 12.5204 50.2632 11.867 64.038 TIMING: 2061200 CPU: 6134.72, 0.00302315/step Wall: 6134.72, 0.00302315/step, 2.4679 hours remaining, 207.421875 MB of memory in use. ENERGY: 2061200 741.0841 2096.3759 1948.2542 109.9658 -205870.0544 17667.5131 0.0000 0.0000 34289.8004 -149017.0610 299.4614 -183306.8614 -148919.0537 299.8483 -41.6305 -7.6371 557907.7086 10.5217 10.4464 PRESSURE: 2061400 167.987 98.3395 -156.142 98.34 -50.1084 29.2257 -156.141 29.2269 -38.5208 GPRESSURE: 2061400 214.725 169.371 -233.034 -17.0315 -16.9037 42.4992 -151.522 60.1355 -36.578 PRESSAVG: 2061400 -4.40979 40.2946 10.3435 40.2946 13.6679 28.2018 10.3435 28.2017 18.8735 GPRESSAVG: 2061400 -3.47824 40.0057 10.0725 40.5544 12.6816 27.2392 8.72932 29.0329 18.7013 TIMING: 2061400 CPU: 6135.32, 0.00299559/step Wall: 6135.32, 0.00299559/step, 2.44523 hours remaining, 207.421875 MB of memory in use. ENERGY: 2061400 723.4971 2147.6829 1931.4078 123.1017 -206329.6836 17935.3996 0.0000 0.0000 34452.5105 -149016.0840 300.8823 -183468.5946 -148925.2063 299.9062 26.4525 53.7478 557197.2401 9.3772 9.3016 PRESSURE: 2061600 -159.816 56.7705 96.6814 56.7709 -88.5335 33.6179 96.6817 33.619 -221.979 GPRESSURE: 2061600 -114.008 90.4151 84.3834 113.352 -59.3976 55.7947 125.371 -7.71527 -210.53 PRESSAVG: 2061600 11.5688 45.3674 -4.08745 45.3673 -23.0124 -36.5923 -4.08751 -36.5923 -53.1322 GPRESSAVG: 2061600 11.2178 45.0434 -4.54773 46.1708 -20.9578 -37.9322 -3.20687 -36.9457 -54.8868 TIMING: 2061600 CPU: 6135.92, 0.00299973/step Wall: 6135.92, 0.00299973/step, 2.44844 hours remaining, 207.421875 MB of memory in use. ENERGY: 2061600 753.7401 2137.0159 1955.2582 126.7249 -205973.2044 17717.6413 0.0000 0.0000 34409.5568 -148873.2673 300.5072 -183282.8240 -148776.6071 300.5363 -156.7763 -127.9784 558808.4119 -21.5253 -21.5423 PRESSURE: 2061800 -153.664 58.6384 -69.9383 58.6376 -215.77 -88.4758 -69.9369 -88.4754 -64.8265 GPRESSURE: 2061800 -118.465 67.3013 -128.798 62.6789 -238.621 -42.2538 -86.722 -131.716 0.057846 PRESSAVG: 2061800 25.819 30.9707 -28.8353 30.9707 -15.3949 -53.2403 -28.8352 -53.2403 -13.1865 GPRESSAVG: 2061800 25.4712 30.5326 -27.9879 29.6456 -16.6769 -49.1446 -29.6427 -55.4859 -11.8675 TIMING: 2061800 CPU: 6136.52, 0.0029696/step Wall: 6136.52, 0.0029696/step, 2.42369 hours remaining, 207.421875 MB of memory in use. ENERGY: 2061800 751.6758 2070.4082 1984.4452 111.9129 -205753.1753 17557.7093 0.0000 0.0000 34374.9268 -148902.0971 300.2048 -183277.0239 -148803.0571 300.5292 -144.7536 -119.0092 558871.0368 -0.9208 -1.0244 PRESSURE: 2062000 -153.798 -112.602 -61.7543 -112.602 -246.474 -89.3083 -61.7537 -89.3091 -85.4824 GPRESSURE: 2062000 -110.096 -149.763 -60.1072 -103.914 -184.221 -4.12146 -43.5917 -89.626 -89.0143 PRESSAVG: 2062000 58.2971 -1.23427 -61.9673 -1.23422 -71.5406 -5.09164 -61.9672 -5.09169 15.5183 GPRESSAVG: 2062000 57.8769 -1.05892 -61.201 -1.19041 -71.9862 -8.27477 -61.9474 -1.14714 16.4592 TIMING: 2062000 CPU: 6137.11, 0.00298963/step Wall: 6137.11, 0.00298963/step, 2.43987 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: 2062000 742.0071 2157.3699 1931.0758 126.6963 -205937.7677 17578.5669 0.0000 0.0000 34525.6530 -148876.3987 301.5211 -183402.0517 -148785.8071 300.9972 -161.9183 -127.7770 559189.3330 0.7583 0.7833 PRESSURE: 2062200 -197.722 51.9141 -152.107 51.913 -322.125 145.708 -152.106 145.71 -165.354 GPRESSURE: 2062200 -112.5 0.0735661 -164.991 105.37 -327.485 121.45 -85.3787 142.436 -154.77 PRESSAVG: 2062200 -13.9883 2.63861 6.66112 2.6386 -35.9839 -27.6364 6.66109 -27.6364 28.3482 GPRESSAVG: 2062200 -13.4968 1.6588 5.91606 3.60823 -36.3583 -26.664 7.22764 -30.445 27.8171 TIMING: 2062200 CPU: 6137.71, 0.0030057/step Wall: 6137.71, 0.0030057/step, 2.45282 hours remaining, 207.421875 MB of memory in use. ENERGY: 2062200 716.5523 2121.3609 1946.6857 125.7613 -205561.5121 17379.4239 0.0000 0.0000 34374.2555 -148897.4727 300.1989 -183271.7282 -148797.9440 300.2980 -228.4002 -198.2514 558727.1698 -7.2080 -7.3460 PRESSURE: 2062400 41.3789 -124.038 -40.487 -124.038 -225.608 93.8631 -40.4889 93.8626 -226.91 GPRESSURE: 2062400 7.10155 -87.2113 -9.68269 -139.748 -214.413 161.789 -75.4386 134.956 -91.9431 PRESSAVG: 2062400 18.1191 14.1414 -4.19513 14.1412 -8.91649 -6.52296 -4.19521 -6.52303 -24.5377 GPRESSAVG: 2062400 17.3236 15.2722 -3.86833 13.5607 -8.5986 -4.58198 -4.423 -4.47678 -24.4971 TIMING: 2062400 CPU: 6138.31, 0.00300112/step Wall: 6138.31, 0.00300112/step, 2.44891 hours remaining, 207.421875 MB of memory in use. ENERGY: 2062400 755.1363 2032.1395 1944.7800 117.3859 -205833.4092 17574.1539 0.0000 0.0000 34326.4767 -149083.3371 299.7817 -183409.8138 -148983.0860 299.7081 -137.0463 -99.7515 557645.1453 -5.1117 -5.2574 PRESSURE: 2062600 -256.081 -39.7317 7.40437 -39.732 -229.31 -27.2301 7.40546 -27.2304 -251.316 GPRESSURE: 2062600 -168.726 5.98556 -4.62594 -26.2264 -209.148 -15.3343 61.707 27.4607 -256.108 PRESSAVG: 2062600 130.63 -17.352 12.1774 -17.352 -29.2971 -34.6588 12.1774 -34.6587 -70.8979 GPRESSAVG: 2062600 130.917 -16.89 11.0296 -16.119 -30.0495 -34.5092 12.4428 -36.5092 -70.6882 TIMING: 2062600 CPU: 6138.91, 0.00298304/step Wall: 6138.91, 0.00298304/step, 2.43399 hours remaining, 207.421875 MB of memory in use. ENERGY: 2062600 757.5246 2057.5331 1959.2993 103.3320 -205965.8070 17616.3804 0.0000 0.0000 34360.1630 -149111.5746 300.0758 -183471.7376 -149007.0402 299.4312 -245.5692 -211.3274 558320.5315 10.1449 10.0597 PRESSURE: 2062800 54.5636 -9.49206 -119.976 -9.49227 59.0713 -147.956 -119.976 -147.958 65.854 GPRESSURE: 2062800 123.892 -29.1487 -59.2877 41.3022 108.382 -202.72 -121.383 -19.52 42.8735 PRESSAVG: 2062800 14.4222 -35.7896 -24.5813 -35.7895 35.5296 -24.6456 -24.5812 -24.6457 -51.9335 GPRESSAVG: 2062800 14.6558 -35.1557 -23.5268 -36.4175 35.6386 -28.194 -24.2246 -22.9233 -52.97 TIMING: 2062800 CPU: 6139.51, 0.00298823/step Wall: 6139.51, 0.00298823/step, 2.43807 hours remaining, 207.421875 MB of memory in use. ENERGY: 2062800 709.8633 2038.2548 1970.4801 107.4221 -206036.8574 17780.1164 0.0000 0.0000 34173.1321 -149257.5885 298.4425 -183430.7206 -149162.4774 299.2212 59.8296 91.7156 557340.6435 -0.6606 -0.8919 PRESSURE: 2063000 83.2972 116.331 -92.4871 116.332 90.0581 2.91019 -92.4874 2.90942 94.34 GPRESSURE: 2063000 128.686 175.889 -66.6191 181.548 114.793 -16.9919 -110.172 -31.3939 101.053 PRESSAVG: 2063000 53.9977 -1.25582 -36.6286 -1.25571 -30.648 13.9825 -36.6287 13.9825 -0.568935 GPRESSAVG: 2063000 53.3007 -2.23647 -35.6331 0.0062715 -30.46 15.4616 -37.3562 10.8849 -0.131666 TIMING: 2063000 CPU: 6140.11, 0.00298611/step Wall: 6140.11, 0.00298611/step, 2.43617 hours remaining, 207.421875 MB of memory in use. ENERGY: 2063000 718.4402 2088.2289 1954.6290 121.8709 -206131.2093 17840.9816 0.0000 0.0000 34237.3035 -149169.7552 299.0029 -183407.0587 -149077.7300 298.7624 89.2318 114.8438 558194.4979 7.5936 7.5697 PRESSURE: 2063200 -416.885 -83.1559 63.2329 -83.1552 -148.762 -25.7018 63.2327 -25.7015 -157.594 GPRESSURE: 2063200 -428.849 -28.1361 86.3967 -131.662 -143.217 -74.0542 109.077 2.40762 -73.3014 PRESSAVG: 2063200 -60.2686 -5.27749 -18.7762 -5.27741 -4.59886 -34.0694 -18.7763 -34.0696 14.5629 GPRESSAVG: 2063200 -60.2843 -4.1854 -19.9259 -7.53772 -4.86511 -33.9047 -18.8614 -33.1898 14.6355 TIMING: 2063200 CPU: 6140.7, 0.00297943/step Wall: 6140.7, 0.00297943/step, 2.43055 hours remaining, 207.421875 MB of memory in use. ENERGY: 2063200 753.4052 2076.6183 1947.5423 118.3183 -205547.0287 17293.2790 0.0000 0.0000 34215.1769 -149142.6886 298.8097 -183357.8656 -149050.6253 298.8315 -241.0803 -215.1224 559465.8472 -16.7682 -16.8380 PRESSURE: 2063400 -190.597 51.5652 152.88 51.5655 57.5354 92.5146 152.88 92.5143 -30.2408 GPRESSURE: 2063400 -129.674 96.3875 114.019 2.74938 104.971 37.5841 158.144 142.712 -43.0689 PRESSAVG: 2063400 -21.8017 6.66516 43.3103 6.66525 39.0488 14.687 43.3103 14.687 -40.7357 GPRESSAVG: 2063400 -21.8697 6.92274 45.7474 6.95983 40.331 15.9577 41.9914 14.8976 -41.6521 TIMING: 2063400 CPU: 6141.3, 0.00298402/step Wall: 6141.3, 0.00298402/step, 2.43413 hours remaining, 207.421875 MB of memory in use. ENERGY: 2063400 763.1979 2051.5976 1935.1330 110.8704 -206043.9143 17619.0397 0.0000 0.0000 34305.8054 -149258.2703 299.6011 -183564.0757 -149171.7481 299.3583 -54.4343 -22.5906 557094.2904 -7.8295 -7.7303 PRESSURE: 2063600 -122.177 -57.3721 -64.0921 -57.3719 -120.287 -41.7419 -64.0925 -41.7416 80.818 GPRESSURE: 2063600 -57.7679 -62.9322 -49.8339 -96.285 -85.4652 4.26781 8.19137 -65.3071 77.8856 PRESSAVG: 2063600 49.7672 -11.7703 30.329 -11.7704 5.11749 -26.9969 30.3291 -26.9969 -59.2683 GPRESSAVG: 2063600 49.4297 -12.2228 27.4403 -12.9836 4.83212 -29.0096 33.2676 -23.8847 -58.8692 TIMING: 2063600 CPU: 6141.9, 0.00298911/step Wall: 6141.9, 0.00298911/step, 2.43812 hours remaining, 207.421875 MB of memory in use. ENERGY: 2063600 754.3912 2045.3611 1904.0757 123.8138 -206222.4920 17632.2240 0.0000 0.0000 34431.2334 -149331.3928 300.6965 -183762.6262 -149241.5532 299.1480 -53.8821 -21.7825 557264.9170 -1.4612 -1.5358 PRESSURE: 2063800 -93.7902 -81.9438 -182.205 -81.9455 -27.3088 243.07 -182.206 243.068 77.9093 GPRESSURE: 2063800 -67.733 -215.218 -208.447 -35.4218 -18.5138 263.505 -209.488 137.677 142.979 PRESSAVG: 2063800 -56.2948 2.03834 -42.511 2.03832 107.502 31.3931 -42.5108 31.3931 -23.051 GPRESSAVG: 2063800 -56.0247 1.11555 -42.1851 2.52127 107.765 31.5048 -42.3825 29.6454 -24.0374 TIMING: 2063800 CPU: 6142.5, 0.00300294/step Wall: 6142.5, 0.00300294/step, 2.44923 hours remaining, 207.421875 MB of memory in use. ENERGY: 2063800 743.9986 2099.3122 1924.6626 101.2571 -206319.8445 17756.6783 0.0000 0.0000 34338.5049 -149355.4309 299.8867 -183693.9358 -149257.0321 298.5676 -14.3966 18.9107 557556.8501 9.3853 9.2344 PRESSURE: 2064000 -136.988 -57.2056 98.3211 -57.2058 -250.709 -147.009 98.3215 -147.009 49.4391 GPRESSURE: 2064000 -142.956 -113.335 29.6658 -21.8569 -188.321 -56.227 168.946 -177.005 89.7289 PRESSAVG: 2064000 -19.3277 -31.0621 1.54198 -31.0622 50.0677 28.3272 1.54188 28.3271 -19.7925 GPRESSAVG: 2064000 -20.2448 -30.7766 3.84084 -30.4899 50.4874 29.4119 0.903753 29.2769 -18.7148 TIMING: 2064000 CPU: 6143.1, 0.00299733/step Wall: 6143.1, 0.00299733/step, 2.44449 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: 2064000 726.4150 2082.8204 1967.2232 123.1046 -205910.1539 17522.5148 0.0000 0.0000 34145.2117 -149342.8642 298.1986 -183488.0759 -149242.8434 298.2383 -112.7525 -80.5159 557706.2399 3.6492 3.8426 PRESSURE: 2064200 76.6112 -37.3141 -111.574 -37.3145 35.6505 -10.269 -111.574 -10.2683 -93.6466 GPRESSURE: 2064200 137.303 -73.2788 -166.788 -30.7435 110.921 58.9893 -72.8798 -43.6104 -142.51 PRESSAVG: 2064200 43.9261 -20.4245 12.4401 -20.4246 24.1135 -15.4357 12.4402 -15.4356 -19.1738 GPRESSAVG: 2064200 44.8499 -20.4811 10.3186 -19.419 24.4093 -15.6555 13.4602 -15.6166 -19.8569 TIMING: 2064200 CPU: 6143.7, 0.00299067/step Wall: 6143.7, 0.00299067/step, 2.43889 hours remaining, 207.421875 MB of memory in use. ENERGY: 2064200 763.1993 2006.7455 1954.9952 111.8725 -206440.9544 17946.5115 0.0000 0.0000 34214.4261 -149443.2042 298.8031 -183657.6303 -149343.1718 298.2486 6.2051 35.2380 556957.6113 16.2886 16.4674 LDB: ============= START OF LOAD BALANCING ============== 6147.12 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6147.12 LDB: =============== DONE WITH MIGRATION ================ 6147.13 LDB: ============= START OF LOAD BALANCING ============== 6147.42 LDB: Largest compute 4821 load 0.028612 is 24.2% of average load 0.118018 LDB: Average compute 0.001713 is 1.5% of average load 0.118018 LDB: TIME 6147.43 LOAD: AVG 0.118018 MAX 0.198477 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 6147.43 LOAD: AVG 0.118018 MAX 0.198477 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 6147.43 LOAD: AVG 0.118018 MAX 0.198477 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 6147.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6147.43 PRESSURE: 2064400 110.045 -83.9272 -8.36053 -83.9265 -216.05 -41.2743 -8.36054 -41.2728 15.0672 GPRESSURE: 2064400 73.4205 -177.684 -130.587 -109.13 -139.89 -130.988 83.7401 -29.0422 67.683 PRESSAVG: 2064400 36.4557 -60.6269 -46.5738 -60.6269 -5.43579 -18.2982 -46.5737 -18.2983 -38.035 GPRESSAVG: 2064400 37.883 -60.7051 -45.7058 -62.2876 -5.43555 -19.8396 -48.9536 -16.8788 -38.1284 TIMING: 2064400 CPU: 6144.3, 0.00304234/step Wall: 6144.3, 0.00304234/step, 2.48086 hours remaining, 206.128906 MB of memory in use. ENERGY: 2064400 739.7332 2098.4962 1956.9575 116.1420 -206130.3385 17598.8657 0.0000 0.0000 34290.2111 -149329.9328 299.4649 -183620.1438 -149229.1793 298.4899 -30.3124 0.4045 556471.8584 -2.3384 -1.8936 PRESSURE: 2064600 179.13 88.4482 -31.844 88.4478 148.639 59.764 -31.8426 59.7648 -14.7396 GPRESSURE: 2064600 232.855 30.9087 -98.4535 255.31 155.223 27.7036 -29.4959 108.921 19.0391 PRESSAVG: 2064600 117.359 22.7548 50.2733 22.7548 -75.6919 -68.3596 50.2733 -68.3595 -17.5769 GPRESSAVG: 2064600 117.098 21.1015 49.8246 25.5207 -75.673 -66.0389 52.4479 -69.4702 -16.9186 TIMING: 2064600 CPU: 6144.91, 0.00300943/step Wall: 6144.91, 0.00300943/step, 2.45385 hours remaining, 206.128906 MB of memory in use. ENERGY: 2064600 735.7057 2102.7752 1917.7492 111.1951 -206434.0198 17946.4873 0.0000 0.0000 34148.1547 -149471.9526 298.2243 -183620.1072 -149376.5193 299.1321 104.3429 135.7055 555696.1368 8.0301 8.1689 PRESSURE: 2064800 189.787 -95.3846 -93.2113 -95.384 70.9223 147.448 -93.21 147.448 216.388 GPRESSURE: 2064800 202.463 -107.993 -110.711 -179.266 103.125 140.345 -36.1106 36.481 262.414 PRESSAVG: 2064800 59.5657 -1.55229 19.6288 -1.55221 -22.8299 0.146602 19.6288 0.146608 2.78742 GPRESSAVG: 2064800 58.9971 0.15356 19.6089 -4.28318 -22.6901 -1.66417 17.3099 0.89981 2.36291 TIMING: 2064800 CPU: 6145.5, 0.00298086/step Wall: 6145.5, 0.00298086/step, 2.43039 hours remaining, 206.128906 MB of memory in use. ENERGY: 2064800 705.0581 2137.1684 1928.7010 109.6239 -206512.7771 18125.9982 0.0000 0.0000 34101.8713 -149404.3561 297.8201 -183506.2275 -149307.5410 298.3737 159.0325 189.3339 556243.6216 13.1744 12.8899 PRESSURE: 2065000 170.604 -71.9578 14.3276 -71.9583 109.122 -33.2978 14.3255 -33.2979 -86.3985 GPRESSURE: 2065000 206.233 75.6638 -10.7482 -129.628 148.244 -20.0567 12.2905 -47.7559 -75.3289 PRESSAVG: 2065000 22.494 -14.8443 -14.2797 -14.8442 47.1771 -3.57416 -14.2797 -3.57432 -101.441 GPRESSAVG: 2065000 22.6955 -14.9526 -15.6106 -14.2612 46.3735 -2.13443 -12.2081 -3.21909 -100.702 TIMING: 2065000 CPU: 6146.1, 0.00297911/step Wall: 6146.1, 0.00297911/step, 2.42881 hours remaining, 206.128906 MB of memory in use. ENERGY: 2065000 748.1886 2080.4770 1930.3117 127.6378 -206203.2694 17822.1658 0.0000 0.0000 34046.3132 -149448.1754 297.3349 -183494.4886 -149353.4043 298.3010 64.4427 93.0496 556368.7124 -10.5898 -10.5442 PRESSURE: 2065200 -9.87991 -125.623 -12.8664 -125.624 25.6609 96.6053 -12.8668 96.6054 -170.554 GPRESSURE: 2065200 7.22226 -18.0105 3.6253 -130.224 84.3291 50.1526 -64.6259 114.112 -153.369 PRESSAVG: 2065200 -20.7624 -0.553866 -12.8984 -0.553844 12.7925 -40.155 -12.8984 -40.1549 -8.325 GPRESSAVG: 2065200 -21.5068 0.396159 -11.4468 0.138515 13.1208 -40.1615 -14.4763 -39.4484 -8.19576 TIMING: 2065200 CPU: 6146.7, 0.0029904/step Wall: 6146.7, 0.0029904/step, 2.43784 hours remaining, 206.128906 MB of memory in use. ENERGY: 2065200 739.9792 2084.8424 1949.4180 119.1215 -206258.8998 17836.9351 0.0000 0.0000 34120.1265 -149408.4772 297.9796 -183528.6036 -149317.4637 298.6062 -51.5911 -20.6059 557715.3282 -5.4316 -5.5272 PRESSURE: 2065400 -57.0774 159.758 -171.718 159.758 -21.0786 -75.8157 -171.718 -75.8158 -1.95342 GPRESSURE: 2065400 -20.3542 102.064 -232.529 122.469 -37.3447 -15.8196 -99.6267 -93.6377 77.9374 PRESSAVG: 2065400 12.2118 27.9164 -44.3655 27.9163 12.4821 -13.4777 -44.3655 -13.4777 -17.9124 GPRESSAVG: 2065400 12.8905 29.6004 -43.8838 26.136 11.6903 -13.6674 -44.6951 -13.8911 -17.7996 TIMING: 2065400 CPU: 6147.3, 0.00301466/step Wall: 6147.3, 0.00301466/step, 2.45745 hours remaining, 206.128906 MB of memory in use. ENERGY: 2065400 745.9786 2086.1983 1958.2359 121.3568 -206367.5606 17950.8891 0.0000 0.0000 34094.5489 -149410.3529 297.7562 -183504.9019 -149315.0004 298.6569 -26.7031 6.7462 557350.5730 2.2605 2.2604 PRESSURE: 2065600 230.841 -78.8774 -82.4711 -78.8782 -330.63 71.3958 -82.4701 71.3947 -37.0123 GPRESSURE: 2065600 250.299 8.23296 -128.429 -20.9924 -255.509 74.4847 -11.6515 181.504 -26.0961 PRESSAVG: 2065600 0.272371 -27.3524 28.5491 -27.3525 63.1208 -4.85688 28.5491 -4.85677 -6.00874 GPRESSAVG: 2065600 0.600369 -28.4917 27.8867 -25.5927 62.8793 -4.17114 30.3225 -5.96815 -6.25969 TIMING: 2065600 CPU: 6147.9, 0.00302244/step Wall: 6147.9, 0.00302244/step, 2.46363 hours remaining, 206.128906 MB of memory in use. ENERGY: 2065600 719.3236 2105.7534 1963.4485 119.7606 -206142.8447 17556.2279 0.0000 0.0000 34280.6383 -149397.6924 299.3813 -183678.3307 -149302.9103 299.7040 -45.6006 -10.4355 554812.9190 19.1281 19.0733 PRESSURE: 2065800 -16.4981 64.5852 -81.9414 64.5841 131.063 159.961 -81.9415 159.96 337.722 GPRESSURE: 2065800 32.0339 83.7361 -27.3642 -0.797711 167.365 133.549 -170.651 121.177 359.435 PRESSAVG: 2065800 11.1598 -15.6255 -30.1642 -15.6255 18.4267 38.2829 -30.1643 38.2829 -0.310361 GPRESSAVG: 2065800 9.82576 -15.7529 -28.1569 -16.616 19.9313 35.2885 -33.3895 39.6215 -1.02748 TIMING: 2065800 CPU: 6148.51, 0.00301798/step Wall: 6148.51, 0.00301798/step, 2.45982 hours remaining, 206.128906 MB of memory in use. ENERGY: 2065800 781.7097 2080.7044 1962.0855 110.1175 -206576.1039 17937.1267 0.0000 0.0000 34288.9581 -149415.4019 299.4540 -183704.3600 -149323.0853 298.9411 150.7621 186.2780 554503.5247 9.7587 9.5765 PRESSURE: 2066000 -91.5451 -93.3297 -103.21 -93.3299 -14.4413 -61.6148 -103.211 -61.615 -25.921 GPRESSURE: 2066000 -75.4489 -81.5391 -81.3414 -110.218 45.9925 -22.3952 -79.8436 -98.6739 0.681914 PRESSAVG: 2066000 -3.62401 -26.5604 -13.4481 -26.5603 69.3945 2.47202 -13.4482 2.47189 -53.3282 GPRESSAVG: 2066000 -3.13253 -28.707 -15.283 -25.8493 68.7068 3.42344 -10.2559 -1.80068 -53.3183 TIMING: 2066000 CPU: 6149.1, 0.00299155/step Wall: 6149.1, 0.00299155/step, 2.43811 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: 2066000 754.7854 2045.7538 1965.7719 118.7792 -205823.7730 17593.0421 0.0000 0.0000 33830.7473 -149514.8933 295.4523 -183345.6407 -149417.5720 298.3625 -43.9692 -9.5915 556712.8380 4.1474 4.0853 PRESSURE: 2066200 -222.829 -122.436 -149.127 -122.436 -145.186 -98.1424 -149.126 -98.1429 61.3056 GPRESSURE: 2066200 -178.711 -118.403 -165.521 -113.101 -132.594 -71.6616 -95.2384 -66.1348 104.762 PRESSAVG: 2066200 57.2695 -21.6126 -48.7616 -21.6127 -11.5501 -7.11792 -48.7616 -7.11786 -45.5054 GPRESSAVG: 2066200 57.0651 -19.4566 -49.0803 -20.6004 -11.3354 -6.65687 -47.8286 -2.31545 -45.7131 TIMING: 2066200 CPU: 6149.7, 0.00297837/step Wall: 6149.7, 0.00297837/step, 2.4272 hours remaining, 206.128906 MB of memory in use. ENERGY: 2066200 724.5882 2128.3007 1965.0659 111.0526 -206313.7988 17541.0912 0.0000 0.0000 34215.3587 -149628.3415 298.8112 -183843.7002 -149526.5782 298.0906 -102.2367 -68.8475 556301.8651 0.0713 0.0055 PRESSURE: 2066400 53.2965 172.119 -15.0632 172.119 422.072 -64.9012 -15.064 -64.902 -272.498 GPRESSURE: 2066400 89.6536 172.279 4.5518 166.425 451.413 -17.6958 87.839 -72.7974 -251.31 PRESSAVG: 2066400 31.7146 -16.5164 20.5894 -16.5163 22.5409 -30.2655 20.5895 -30.2654 -9.1733 GPRESSAVG: 2066400 31.1707 -19.4947 19.2738 -16.2002 22.5009 -29.1237 19.1546 -32.3024 -8.77405 TIMING: 2066400 CPU: 6150.3, 0.00300707/step Wall: 6150.3, 0.00300707/step, 2.45043 hours remaining, 206.128906 MB of memory in use. ENERGY: 2066400 735.8761 2096.3387 1923.8765 115.0433 -206141.1631 17804.0381 0.0000 0.0000 34148.9383 -149317.0521 298.2312 -183465.9904 -149217.4786 298.8142 67.6235 96.5857 558007.4987 15.0274 14.9659 PRESSURE: 2066600 73.0754 -290.785 5.83387 -290.785 -51.6589 -144.722 5.83417 -144.724 12.2973 GPRESSURE: 2066600 111.178 -304.831 4.14177 -213.353 -13.4482 -122.488 1.68664 -86.6787 36.6003 PRESSAVG: 2066600 48.7395 -18.2017 -27.004 -18.2017 5.40246 -46.8664 -27.0041 -46.8665 -68.4878 GPRESSAVG: 2066600 49.9031 -16.9974 -25.3055 -18.7285 4.45914 -48.8145 -27.3009 -46.0909 -69.0153 TIMING: 2066600 CPU: 6150.9, 0.0029901/step Wall: 6150.9, 0.0029901/step, 2.43644 hours remaining, 206.128906 MB of memory in use. ENERGY: 2066600 757.1614 2042.3275 1923.1268 113.6780 -206349.2379 17901.5419 0.0000 0.0000 34106.0703 -149505.3320 297.8568 -183611.4023 -149409.7591 299.0787 11.2379 44.7767 558776.2086 -4.7819 -4.8844 PRESSURE: 2066800 -89.2606 -29.3647 -257.175 -29.3628 -43.9805 85.7857 -257.174 85.7856 161.574 GPRESSURE: 2066800 -22.415 -46.6976 -267.391 -44.2271 -18.5168 122.148 -285.64 139.442 172.874 PRESSAVG: 2066800 29.3276 -23.3378 -24.4111 -23.3378 -25.7311 27.38 -24.4111 27.3801 -31.8833 GPRESSAVG: 2066800 29.1588 -22.5624 -26.6112 -24.4575 -25.9689 28.7335 -24.2892 26.3245 -31.695 TIMING: 2066800 CPU: 6151.5, 0.00300526/step Wall: 6151.5, 0.00300526/step, 2.44862 hours remaining, 206.128906 MB of memory in use. ENERGY: 2066800 742.7436 2100.8590 1911.1856 100.6358 -206834.5283 17999.7358 0.0000 0.0000 34440.3433 -149539.0252 300.7761 -183979.3685 -149444.1183 298.8391 9.4444 43.9806 558219.7269 -9.4290 -9.5017 PRESSURE: 2067000 258.051 77.6996 -65.8532 77.7009 36.3446 57.272 -65.8535 57.2738 -179.954 GPRESSURE: 2067000 247.916 58.9733 -176.695 146.818 85.2825 -4.68228 19.5461 52.9277 -133.71 PRESSAVG: 2067000 -23.6648 -19.1382 -40.3373 -19.1381 35.3509 6.97602 -40.3373 6.97616 -55.0845 GPRESSAVG: 2067000 -24.0836 -19.4735 -39.4227 -19.7282 34.7091 4.05123 -38.4436 7.63011 -54.4049 TIMING: 2067000 CPU: 6152.1, 0.00301572/step Wall: 6152.1, 0.00301572/step, 2.45697 hours remaining, 206.128906 MB of memory in use. ENERGY: 2067000 736.5137 2038.6851 1952.4244 119.3500 -206150.5541 17695.5631 0.0000 0.0000 34236.4424 -149371.5755 298.9954 -183608.0179 -149273.4144 298.8779 38.1469 66.4962 557932.4974 -14.4661 -14.5931 PRESSURE: 2067200 -154.758 39.6626 -112.771 39.6625 -295.072 48.2379 -112.771 48.2396 -118.339 GPRESSURE: 2067200 -132.075 40.7025 -75.4335 35.5701 -266.95 116.786 -176.427 -48.7178 -84.9019 PRESSAVG: 2067200 -8.90485 16.2545 4.24736 16.2546 59.1694 -14.3203 4.24724 -14.3203 -40.4386 GPRESSAVG: 2067200 -10.2088 17.953 4.10965 17.4116 60.3042 -12.2976 3.44196 -16.1224 -40.1452 TIMING: 2067200 CPU: 6152.7, 0.00298868/step Wall: 6152.7, 0.00298868/step, 2.43478 hours remaining, 206.128906 MB of memory in use. ENERGY: 2067200 725.4645 2130.6785 1970.6242 112.6639 -206095.5445 17560.4234 0.0000 0.0000 34341.4591 -149254.2308 299.9125 -183595.6900 -149163.4589 299.6713 -189.3893 -161.3090 559049.8490 3.2753 3.3167 PRESSURE: 2067400 -131.496 -120.122 -14.7128 -120.123 345.347 -62.2854 -14.7138 -62.2851 -153.024 GPRESSURE: 2067400 -120.745 -63.66 -24.7052 -64.2101 340.907 -134.808 30.4229 64.8041 -68.0693 PRESSAVG: 2067400 -18.2346 -13.6391 -12.0909 -13.639 23.0115 -38.9806 -12.0909 -38.9805 -2.34419 GPRESSAVG: 2067400 -18.3489 -15.2023 -12.7071 -14.7904 22.5714 -39.7607 -13.856 -37.7062 -2.00951 TIMING: 2067400 CPU: 6153.3, 0.00297188/step Wall: 6153.3, 0.00297188/step, 2.42093 hours remaining, 206.128906 MB of memory in use. ENERGY: 2067400 750.5967 2103.8118 1934.9264 95.1517 -206155.5502 17898.6006 0.0000 0.0000 34304.0543 -149068.4087 299.5858 -183372.4631 -148976.2038 299.9441 20.2758 50.6975 556976.9689 0.8109 0.7377 PRESSURE: 2067600 -37.6501 152.373 -38.194 152.373 -219.85 -31.2209 -38.1941 -31.2191 -123.2 GPRESSURE: 2067600 -51.2989 68.8708 -55.5915 208.64 -167.736 -47.9779 -18.2226 -10.2096 -50.61 PRESSAVG: 2067600 -19.8306 18.1235 -30.9496 18.1234 26.1028 31.1871 -30.9496 31.187 26.6331 GPRESSAVG: 2067600 -20.2248 20.873 -28.2427 18.3115 26.0546 32.0352 -32.1774 30.7867 27.4268 TIMING: 2067600 CPU: 6153.89, 0.00297809/step Wall: 6153.89, 0.00297809/step, 2.42582 hours remaining, 206.128906 MB of memory in use. ENERGY: 2067600 760.1575 2062.7863 1946.7721 114.0400 -205834.0736 17692.7892 0.0000 0.0000 34042.0846 -149215.4439 297.2980 -183257.5285 -149117.9918 299.5743 -126.8999 -89.8817 557353.6577 10.9684 11.0855 PRESSURE: 2067800 174.427 57.1818 11.7945 57.1825 -78.4846 -27.9294 11.7945 -27.9303 -9.11219 GPRESSURE: 2067800 176.326 66.29 37.3792 126.487 -23.4679 -25.0582 30.7579 19.9393 25.6485 PRESSAVG: 2067800 17.5163 69.6799 -6.93704 69.6799 -70.4873 13.3547 -6.93708 13.3546 19.5399 GPRESSAVG: 2067800 19.2703 66.8485 -8.69276 71.3078 -70.0296 12.9121 -6.91858 12.2425 17.2832 TIMING: 2067800 CPU: 6154.48, 0.0029628/step Wall: 6154.48, 0.0029628/step, 2.4132 hours remaining, 206.128906 MB of memory in use. ENERGY: 2067800 740.6250 2100.1136 1915.1278 99.7903 -205867.8046 17701.9738 0.0000 0.0000 34274.9009 -149035.2732 299.3312 -183310.1740 -148939.4794 299.6662 28.9435 59.5023 556647.1093 -11.1437 -11.1587 PRESSURE: 2068000 155.892 -110.876 -35.5192 -110.877 83.4181 26.3761 -35.5196 26.3771 320.52 GPRESSURE: 2068000 155.919 -52.584 -51.6555 -136.325 164.17 26.0549 -60.1565 -69.3505 331.485 PRESSAVG: 2068000 -44.5793 -16.9538 13.738 -16.9538 6.52663 14.8845 13.738 14.8845 42.1039 GPRESSAVG: 2068000 -44.8338 -14.8185 13.5337 -17.2851 5.2979 14.8839 14.3897 15.2322 43.1219 TIMING: 2068000 CPU: 6155.08, 0.00297076/step Wall: 6155.08, 0.00297076/step, 2.41952 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: 2068000 751.6627 2048.3558 1998.7602 124.1508 -206490.0284 18060.0569 0.0000 0.0000 34330.7618 -149176.2802 299.8191 -183507.0420 -149077.8907 299.6810 186.6099 217.1916 557064.7664 1.3504 1.1953 PRESSURE: 2068200 -112.313 -3.01319 18.6036 -3.01315 -210.655 210.225 18.6037 210.226 -137.886 GPRESSURE: 2068200 -58.0643 -94.9039 15.4667 6.0318 -156.248 127.987 129.051 247.6 -148.602 PRESSAVG: 2068200 -78.834 18.8843 -14.4606 18.8842 69.8355 57.8014 -14.4606 57.8014 23.5238 GPRESSAVG: 2068200 -78.6215 17.6401 -14.838 19.5086 71.0245 58.9507 -12.535 56.079 22.5074 TIMING: 2068200 CPU: 6155.67, 0.00295103/step Wall: 6155.67, 0.00295103/step, 2.40328 hours remaining, 206.128906 MB of memory in use. ENERGY: 2068200 769.7854 2124.9823 1939.9175 109.6188 -205932.5335 17559.0008 0.0000 0.0000 34224.4995 -149204.7293 298.8911 -183429.2288 -149115.2187 299.8280 -153.6183 -120.9716 558368.0255 4.8418 4.9701 LDB: ============= START OF LOAD BALANCING ============== 6159.09 LDB: ============== END OF LOAD BALANCING =============== 6159.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6159.1 LDB: ============= START OF LOAD BALANCING ============== 6159.39 LDB: Largest compute 4821 load 0.029157 is 24.7% of average load 0.118131 LDB: Average compute 0.001722 is 1.5% of average load 0.118131 LDB: TIME 6159.4 LOAD: AVG 0.118131 MAX 0.199418 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 6159.4 LOAD: AVG 0.118131 MAX 0.199418 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: TIME 6159.4 LOAD: AVG 0.118131 MAX 0.199418 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: ============== END OF LOAD BALANCING =============== 6159.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6159.4 PRESSURE: 2068400 -372.246 -77.3944 57.9896 -77.3938 -208.081 205.06 57.9888 205.061 3.74271 GPRESSURE: 2068400 -318.82 -88.9007 67.0373 -17.4255 -144.512 153.749 18.8937 162.18 -10.3616 PRESSAVG: 2068400 34.429 -0.0937609 3.07554 -0.0937657 -10.0254 35.0593 3.0755 35.0594 27.4884 GPRESSAVG: 2068400 33.8202 0.597305 5.86301 -0.520213 -10.8404 36.0695 1.69601 36.9018 28.5977 TIMING: 2068400 CPU: 6156.27, 0.00301832/step Wall: 6156.27, 0.00301832/step, 2.45792 hours remaining, 205.742188 MB of memory in use. ENERGY: 2068400 753.4365 2114.1606 1945.3545 115.2817 -206027.0201 17732.8028 0.0000 0.0000 33981.4446 -149384.5395 296.7684 -183365.9841 -149283.6345 298.8556 -192.1950 -157.8980 560009.6288 17.2973 17.1925 PRESSURE: 2068600 -107.229 -57.5389 -136.761 -57.5392 176.994 47.7562 -136.761 47.7553 83.6122 GPRESSURE: 2068600 -47.0075 -17.8879 -118.67 -53.0937 207.399 77.0175 -135.561 32.2486 93.5055 PRESSAVG: 2068600 -21.5145 52.616 32.8988 52.616 -32.5523 33.9447 32.8988 33.9448 19.2978 GPRESSAVG: 2068600 -20.9515 52.2245 29.656 51.0393 -32.7792 32.4171 32.5994 34.2355 19.3514 TIMING: 2068600 CPU: 6156.87, 0.00297025/step Wall: 6156.87, 0.00297025/step, 2.41861 hours remaining, 205.742188 MB of memory in use. ENERGY: 2068600 769.5245 2081.2865 1949.5911 122.4196 -206365.1498 18018.2867 0.0000 0.0000 33885.3185 -149538.7229 295.9289 -183424.0414 -149440.4992 298.5295 51.1257 84.6322 556818.1937 -11.5897 -11.4598 PRESSURE: 2068800 143.109 -229.737 -44.51 -229.736 -40.8481 -113.832 -44.5104 -113.832 -42.7936 GPRESSURE: 2068800 139.949 -169.987 -63.139 -238.491 62.8436 -71.2868 -55.7738 -111.432 -47.3319 PRESSAVG: 2068800 -13.9687 -51.6617 -22.6681 -51.6617 43.2949 -2.07615 -22.6681 -2.07612 -27.8185 GPRESSAVG: 2068800 -15.1823 -51.1701 -19.3798 -50.5132 43.058 -1.29764 -21.9352 -2.36424 -26.863 TIMING: 2068800 CPU: 6157.46, 0.00297095/step Wall: 6157.46, 0.00297095/step, 2.41902 hours remaining, 205.742188 MB of memory in use. ENERGY: 2068800 748.9666 2105.2989 1936.1323 98.3905 -206407.8123 18025.1256 0.0000 0.0000 34070.0130 -149423.8853 297.5419 -183493.8983 -149327.8304 297.7296 19.8223 51.8203 558598.7026 0.5026 0.3376 PRESSURE: 2069000 -118.326 -45.3381 -11.2476 -45.338 100.969 51.5882 -11.2486 51.5879 264.148 GPRESSURE: 2069000 -7.91324 -13.4748 6.63346 -3.14329 110.788 66.8933 -11.1053 42.4596 246.663 PRESSAVG: 2069000 27.0651 -19.1315 -13.5278 -19.1315 25.0672 -1.22618 -13.5277 -1.22615 -39.1902 GPRESSAVG: 2069000 27.0008 -19.7336 -17.2742 -17.5785 26.3619 -2.81796 -13.3448 -0.0574469 -39.9503 TIMING: 2069000 CPU: 6158.05, 0.00296014/step Wall: 6158.05, 0.00296014/step, 2.41004 hours remaining, 205.742188 MB of memory in use. ENERGY: 2069000 763.8135 2088.3978 1921.0219 117.8192 -206388.1646 17994.9529 0.0000 0.0000 33997.8897 -149504.2696 296.9120 -183502.1593 -149411.4454 297.9117 82.2637 116.5127 557481.0341 4.3140 4.4708 PRESSURE: 2069200 20.704 60.6544 26.3403 60.6539 19.1826 256.67 26.3401 256.669 60.7795 GPRESSURE: 2069200 15.1992 25.4168 71.7589 67.7096 60.1215 255.912 20.3793 201.716 131.936 PRESSAVG: 2069200 -30.3599 -11.1204 39.0223 -11.1203 -23.0386 -15.7598 39.0223 -15.7598 79.0411 GPRESSAVG: 2069200 -29.4784 -10.7033 40.745 -13.5585 -23.4769 -16.0374 38.3452 -14.6163 78.7013 TIMING: 2069200 CPU: 6158.64, 0.00294895/step Wall: 6158.64, 0.00294895/step, 2.40077 hours remaining, 205.742188 MB of memory in use. ENERGY: 2069200 751.6277 2117.2766 1921.2435 108.1824 -206543.0142 17936.8001 0.0000 0.0000 34118.4541 -149589.4298 297.9649 -183707.8839 -149490.2791 298.6465 33.5554 69.0857 556284.3464 8.5475 8.5820 PRESSURE: 2069400 -86.7485 38.7509 -158.059 38.7504 314.044 77.6114 -158.059 77.6135 -212.635 GPRESSURE: 2069400 -74.5784 38.0741 -77.7569 10.4322 346.585 -14.4238 -196.11 72.5963 -165.684 PRESSAVG: 2069400 -28.2597 62.64 -47.5966 62.64 49.7957 48.5101 -47.5966 48.5101 -3.9157 GPRESSAVG: 2069400 -27.7348 62.4584 -46.5559 64.6276 49.1565 49.1399 -48.13 46.0178 -4.51642 TIMING: 2069400 CPU: 6159.23, 0.00296108/step Wall: 6159.23, 0.00296108/step, 2.41048 hours remaining, 205.742188 MB of memory in use. ENERGY: 2069400 741.7894 2057.5467 1939.1564 103.8541 -206541.0638 17893.4744 0.0000 0.0000 34184.8615 -149620.3812 298.5449 -183805.2427 -149524.7038 298.0420 4.8870 35.4410 556737.1318 5.8734 5.6351 PRESSURE: 2069600 -12.9154 22.7605 -109.407 22.7604 -22.585 -90.7116 -109.406 -90.7113 -396.957 GPRESSURE: 2069600 52.6541 131.713 -23.9318 -24.5176 -37.444 -115.983 -113.13 -103.4 -348.864 PRESSAVG: 2069600 -66.8157 25.9367 -34.889 25.9367 46.5584 -35.4934 -34.8891 -35.4934 -7.32456 GPRESSAVG: 2069600 -67.7892 25.5328 -36.8556 25.4889 46.188 -34.6839 -33.95 -33.7164 -5.75278 TIMING: 2069600 CPU: 6159.83, 0.00297722/step Wall: 6159.83, 0.00297722/step, 2.42345 hours remaining, 205.742188 MB of memory in use. ENERGY: 2069600 729.9540 2099.0135 1954.9453 103.3017 -206463.8104 17818.3385 0.0000 0.0000 34056.5976 -149701.6598 297.4247 -183758.2574 -149608.6351 297.2565 -144.1525 -111.2181 558900.3964 -9.1940 -9.1180 PRESSURE: 2069800 -11.2352 40.1492 87.4504 40.1491 -80.9911 -16.8525 87.451 -16.8511 45.2339 GPRESSURE: 2069800 42.0228 -24.0838 140.405 -24.0552 -27.641 -8.52582 29.0818 -90.5517 44.8534 PRESSAVG: 2069800 -6.20266 -17.8089 -11.6255 -17.809 19.4508 -20.0029 -11.6255 -20.0028 -39.8286 GPRESSAVG: 2069800 -6.87314 -20.6519 -11.1569 -17.5956 19.948 -20.4868 -10.0149 -20.58 -39.4959 TIMING: 2069800 CPU: 6160.43, 0.00298297/step Wall: 6160.43, 0.00298297/step, 2.42797 hours remaining, 205.742188 MB of memory in use. ENERGY: 2069800 721.3817 2093.3028 1945.4282 100.2065 -206497.4026 17841.8163 0.0000 0.0000 33980.2955 -149814.9716 296.7584 -183795.2671 -149725.8531 297.0083 -15.6642 19.7450 557228.2460 -8.8601 -8.8070 PRESSURE: 2070000 -103.976 -144.696 -82.3945 -144.696 -27.2531 79.3759 -82.3943 79.3754 -187.647 GPRESSURE: 2070000 -71.778 -228.173 -106.93 -106.509 -52.1047 75.8387 -55.5434 18.1583 -81.2768 PRESSAVG: 2070000 -12.4204 22.1628 41.1334 22.1629 21.0805 -8.04607 41.1333 -8.04598 2.85889 GPRESSAVG: 2070000 -11.0724 23.7617 41.9034 22.7088 19.7817 -8.34552 39.9262 -8.67585 2.93472 TIMING: 2070000 CPU: 6161.03, 0.00301848/step Wall: 6161.03, 0.00301848/step, 2.4567 hours remaining, 205.742188 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: 2070000 743.0661 2113.9427 1922.6966 114.9178 -206220.1985 17683.1287 0.0000 0.0000 34016.9095 -149625.5371 297.0781 -183642.4466 -149529.1275 297.4175 -106.2921 -68.3865 557610.3133 3.8397 3.8813 PRESSURE: 2070200 -114.638 -130.611 -21.1554 -130.612 -343.241 90.2808 -21.1546 90.2802 -75.3201 GPRESSURE: 2070200 -124.245 -74.5959 -8.22704 -134.114 -275.168 90.8385 -32.1047 65.5407 -47.9451 PRESSAVG: 2070200 54.5555 0.818483 -23.3338 0.81858 -35.6378 9.70221 -23.3336 9.70216 -11.0469 GPRESSAVG: 2070200 54.4234 2.78541 -23.6548 -1.52601 -34.3024 10.2208 -23.2188 11.5164 -12.8004 TIMING: 2070200 CPU: 6161.63, 0.00301137/step Wall: 6161.63, 0.00301137/step, 2.45075 hours remaining, 205.742188 MB of memory in use. ENERGY: 2070200 721.0802 2057.9941 1922.7046 111.4555 -206191.2965 17674.7260 0.0000 0.0000 34125.2691 -149578.0669 298.0245 -183703.3361 -149483.6860 298.3235 -177.7332 -149.1193 558410.4472 2.6236 2.4402 PRESSURE: 2070400 308.516 -64.2369 187.418 -64.2373 225.913 -120 187.416 -120 53.6025 GPRESSURE: 2070400 347.425 -16.8017 216.992 -130.636 236.196 -93.5474 100.888 2.1799 96.342 PRESSAVG: 2070400 33.8076 -16.5227 5.01266 -16.5228 -69.5599 -6.25406 5.01263 -6.25404 24.1254 GPRESSAVG: 2070400 32.6535 -18.6481 5.11099 -15.2884 -68.8732 -4.61163 3.24159 -9.23572 24.5864 TIMING: 2070400 CPU: 6162.24, 0.00301992/step Wall: 6162.24, 0.00301992/step, 2.45755 hours remaining, 205.742188 MB of memory in use. ENERGY: 2070400 726.3241 2094.8502 1973.1564 104.2012 -206392.1852 17967.5055 0.0000 0.0000 34139.6659 -149386.4820 298.1502 -183526.1479 -149286.3256 298.4881 196.0105 226.6542 556922.2992 -3.8756 -3.8778 PRESSURE: 2070600 -71.8571 -23.9109 -29.9371 -23.9104 -198.567 10.0463 -29.9357 10.047 4.59983 GPRESSURE: 2070600 -3.45372 46.4917 -75.0739 -47.5277 -161.519 -34.3769 39.2172 -50.2504 11.0239 PRESSAVG: 2070600 9.95382 36.7112 38.4756 36.7112 -6.17893 31.1071 38.4756 31.1071 25.1793 GPRESSAVG: 2070600 10.8382 37.3954 39.7668 38.3206 -7.50865 29.7791 38.794 33.8161 25.7372 TIMING: 2070600 CPU: 6162.84, 0.00300379/step Wall: 6162.84, 0.00300379/step, 2.44425 hours remaining, 205.742188 MB of memory in use. ENERGY: 2070600 715.3245 2102.0940 1941.9026 101.6679 -206115.7932 17720.2264 0.0000 0.0000 34136.5732 -149398.0045 298.1232 -183534.5777 -149309.7304 298.5069 -88.6081 -51.3164 558917.2631 9.6514 9.6889 PRESSURE: 2070800 -284.697 10.3042 0.367625 10.3043 -84.5026 -81.2629 0.367946 -81.2621 -226.31 GPRESSURE: 2070800 -268.282 -18.638 -81.0272 63.4056 -78.422 64.1315 38.0102 -212.368 -149.736 PRESSAVG: 2070800 27.1222 4.93999 -12.443 4.94008 12.1753 2.40408 -12.4429 2.40404 -11.8485 GPRESSAVG: 2070800 27.3925 5.25929 -14.0211 4.41099 14.2872 3.98556 -11.638 -0.658651 -14.7356 TIMING: 2070800 CPU: 6163.43, 0.00298365/step Wall: 6163.43, 0.00298365/step, 2.4277 hours remaining, 205.742188 MB of memory in use. ENERGY: 2070800 739.4794 2037.2337 1931.3289 113.0053 -206135.3417 17617.3464 0.0000 0.0000 34244.6490 -149452.2989 299.0670 -183696.9480 -149348.0515 299.0642 -198.5033 -165.4800 558390.0382 9.1496 8.9814 PRESSURE: 2071000 -241.16 85.3306 -143.095 85.3303 76.4857 28.0484 -143.094 28.0506 -3.35626 GPRESSURE: 2071000 -284.748 101.385 -203.458 119.711 135.625 -66.2772 -177.767 92.4858 63.9966 PRESSAVG: 2071000 -19.8703 51.2739 27.0042 51.2739 48.0439 -0.45758 27.0042 -0.457445 -42.7562 GPRESSAVG: 2071000 -19.6485 52.7184 26.4882 49.0797 45.9959 -3.38402 29.0541 2.61871 -41.0439 TIMING: 2071000 CPU: 6164.03, 0.00297422/step Wall: 6164.03, 0.00297422/step, 2.41986 hours remaining, 205.742188 MB of memory in use. ENERGY: 2071000 765.2272 2012.8823 1945.1799 104.7187 -205976.6898 17827.4107 0.0000 0.0000 33940.4656 -149380.8053 296.4105 -183321.2709 -149288.8274 298.3567 -56.0102 -28.3754 558093.2338 -4.8608 -4.8988 PRESSURE: 2071200 308.088 -197.088 -75.197 -197.088 -71.1469 89.4523 -75.1975 89.452 -22.8836 GPRESSURE: 2071200 303.474 -172.695 129.741 -261.068 -27.9336 27.1118 -102.669 93.7338 56.8212 PRESSAVG: 2071200 -7.48609 -29.1329 25.1793 -29.133 21.0068 20.3477 25.1793 20.3478 28.611 GPRESSAVG: 2071200 -8.89342 -29.5926 26.0675 -29.3621 21.3337 22.2117 23.1187 17.9748 29.2613 TIMING: 2071200 CPU: 6164.63, 0.00299073/step Wall: 6164.63, 0.00299073/step, 2.43313 hours remaining, 205.742188 MB of memory in use. ENERGY: 2071200 732.3839 2058.7837 1937.6761 115.1623 -206171.8691 17777.1494 0.0000 0.0000 34115.9382 -149434.7755 297.9430 -183550.7137 -149343.3313 298.6132 71.3526 110.7873 556419.7911 14.0439 13.9005 PRESSURE: 2071400 -253.544 148.632 41.2421 148.63 -83.3182 20.1329 41.2416 20.1326 -146.601 GPRESSURE: 2071400 -225.176 133.768 -17.2816 61.4193 -41.6672 1.39844 48.9447 -59.1455 -122.114 PRESSAVG: 2071400 4.83036 42.813 -24.1183 42.813 -20.133 108.496 -24.1184 108.496 63.9282 GPRESSAVG: 2071400 5.03346 42.7315 -23.5279 43.5686 -19.3713 107.709 -25.4585 109.669 62.6577 TIMING: 2071400 CPU: 6165.23, 0.00299684/step Wall: 6165.23, 0.00299684/step, 2.43793 hours remaining, 205.742188 MB of memory in use. ENERGY: 2071400 729.7792 2010.5664 1926.8919 92.8443 -206219.8771 17663.5753 0.0000 0.0000 34331.8954 -149464.3245 299.8290 -183796.2199 -149371.1355 299.1303 -161.1544 -129.6522 556977.8061 16.2085 16.1066 PRESSURE: 2071600 -127.678 287.471 59.0666 287.47 -88.3759 -52.8627 59.0653 -52.8604 -104.693 GPRESSURE: 2071600 -121.524 238.611 67.9563 282.035 -50.188 -32.0596 38.3859 -161.798 -52.9495 PRESSAVG: 2071600 -66.2287 16.8138 25.3022 16.8138 1.45752 -3.75906 25.302 -3.75913 30.2807 GPRESSAVG: 2071600 -66.5486 17.2266 24.4091 16.5434 2.29143 -5.09549 28.1414 -3.68707 29.2686 TIMING: 2071600 CPU: 6165.83, 0.00300086/step Wall: 6165.83, 0.00300086/step, 2.44103 hours remaining, 205.742188 MB of memory in use. ENERGY: 2071600 766.2385 2090.0896 1957.1860 119.1292 -206430.0834 17748.0265 0.0000 0.0000 34290.6514 -149458.7622 299.4688 -183749.4136 -149361.4791 299.0743 -106.9155 -74.8872 556776.0961 -11.4968 -11.6629 PRESSURE: 2071800 -213.032 -106.129 29.3347 -106.129 -139.219 87.4036 29.3347 87.4046 -134.606 GPRESSURE: 2071800 -168.154 -95.8493 -44.2412 -51.2264 -125.396 184.835 85.7684 71.9924 -92.0932 PRESSAVG: 2071800 -85.2263 34.9571 19.0053 34.957 35.5604 -42.6694 19.0054 -42.6695 37.154 GPRESSAVG: 2071800 -85.7488 33.3727 15.5237 37.2064 33.7648 -41.0131 20.5005 -42.2661 39.076 TIMING: 2071800 CPU: 6166.43, 0.00300009/step Wall: 6166.43, 0.00300009/step, 2.44024 hours remaining, 205.742188 MB of memory in use. ENERGY: 2071800 720.4680 2079.7672 1956.8624 123.6405 -205583.3748 17254.3149 0.0000 0.0000 34214.6269 -149233.6950 298.8048 -183448.3219 -149132.4850 300.1176 -162.2857 -128.5475 556750.0900 -4.1706 -4.3027 PRESSURE: 2072000 -33.5037 -49.5752 -40.1592 -49.5755 -60.7564 -67.9869 -40.1589 -67.986 -362.59 GPRESSURE: 2072000 3.18729 -34.3947 20.8338 -36.9623 -45.1603 -59.0211 -90.4957 -107.154 -324.009 PRESSAVG: 2072000 -113.93 9.10993 0.915555 9.11007 59.8958 -4.82971 0.915588 -4.82964 21.7391 GPRESSAVG: 2072000 -114.043 8.00288 2.31183 7.83251 61.2052 -3.63929 -1.66046 -6.91456 20.4727 TIMING: 2072000 CPU: 6167.02, 0.00297303/step Wall: 6167.02, 0.00297303/step, 2.41807 hours remaining, 205.742188 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: 2072000 748.2400 2126.5931 1964.2143 123.4485 -206023.6563 17567.9107 0.0000 0.0000 34262.1508 -149231.0990 299.2199 -183493.2498 -149137.9549 299.8312 -152.2834 -121.9940 557086.9372 -10.7651 -10.7885 PRESSURE: 2072200 72.7394 -148.626 -90.1492 -148.627 61.3674 142.081 -90.15 142.083 47.8084 GPRESSURE: 2072200 153.619 -116.098 -51.6152 -110.379 69.3359 133.832 -136.096 135.439 52.2411 PRESSAVG: 2072200 -3.43204 -9.81042 -15.4951 -9.81042 -29.8377 -47.7652 -15.4952 -47.7652 -2.88873 GPRESSAVG: 2072200 -2.9676 -7.18696 -14.6169 -12.1572 -30.1767 -49.6224 -16.4415 -46.6173 -3.31318 TIMING: 2072200 CPU: 6167.61, 0.00296309/step Wall: 6167.61, 0.00296309/step, 2.40982 hours remaining, 205.742188 MB of memory in use. ENERGY: 2072200 717.6742 2075.2322 1935.4993 103.4779 -206195.7722 17882.1279 0.0000 0.0000 34172.2894 -149309.4712 298.4351 -183481.7607 -149214.9657 299.3856 60.6384 91.7320 557891.5675 -12.0528 -12.1525 LDB: ============= START OF LOAD BALANCING ============== 6171.04 LDB: ============== END OF LOAD BALANCING =============== 6171.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6171.04 LDB: ============= START OF LOAD BALANCING ============== 6171.34 LDB: Largest compute 4821 load 0.027937 is 23.6% of average load 0.118150 LDB: Average compute 0.001717 is 1.5% of average load 0.118150 LDB: TIME 6171.34 LOAD: AVG 0.11815 MAX 0.197869 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 6171.34 LOAD: AVG 0.11815 MAX 0.197869 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.488 MB LDB: TIME 6171.34 LOAD: AVG 0.11815 MAX 0.197869 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.488 MB LDB: ============== END OF LOAD BALANCING =============== 6171.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6171.35 PRESSURE: 2072400 -93.7496 -13.8982 -46.3573 -13.898 -37.4414 -209.46 -46.3566 -209.459 151.347 GPRESSURE: 2072400 -98.1274 -29.9476 -70.6902 -5.79133 -12.7758 -235.568 36.2385 -195.28 221.197 PRESSAVG: 2072400 62.124 19.4619 25.9857 19.4619 -1.11996 -50.5813 25.9857 -50.5814 -53.3929 GPRESSAVG: 2072400 63.0815 18.8818 27.8376 20.3421 -2.88993 -50.7235 26.3344 -50.7584 -52.9948 TIMING: 2072400 CPU: 6168.22, 0.0030314/step Wall: 6168.22, 0.0030314/step, 2.4652 hours remaining, 206.269531 MB of memory in use. ENERGY: 2072400 733.2273 2099.4641 1942.9088 123.4554 -206197.2075 17842.5570 0.0000 0.0000 34367.4765 -149088.1183 300.1397 -183455.5948 -148993.5320 299.4254 6.7186 36.7647 557895.7680 2.5370 2.3989 PRESSURE: 2072600 26.7405 22.2384 37.43 22.2375 -94.5575 -121.263 37.4295 -121.262 -143.711 GPRESSURE: 2072600 -14.781 47.7173 69.8139 -77.0277 -78.2556 -117.009 50.2237 -127.913 -40.5311 PRESSAVG: 2072600 47.5341 42.9546 40.1341 42.9545 -63.6968 -37.2256 40.1341 -37.2256 -29.9929 GPRESSAVG: 2072600 45.8208 44.1027 37.3519 42.6991 -62.6175 -36.1424 40.4276 -38.3826 -29.6068 TIMING: 2072600 CPU: 6168.82, 0.00299216/step Wall: 6168.82, 0.00299216/step, 2.43313 hours remaining, 206.269531 MB of memory in use. ENERGY: 2072600 728.3360 2128.7224 1958.4173 114.5227 -205982.8724 17754.2798 0.0000 0.0000 34268.6312 -149029.9629 299.2765 -183298.5942 -148930.2703 300.3208 -70.5094 -44.5225 557480.0640 -15.3852 -15.4678 PRESSURE: 2072800 -216.409 63.2866 57.3382 63.2861 -134.384 -86.2365 57.338 -86.2363 69.4733 GPRESSURE: 2072800 -169.644 53.4174 -9.54036 105.587 -128.718 -64.3499 87.2113 -50.83 104.252 PRESSAVG: 2072800 78.7771 21.2159 53.4784 21.2159 -32.2679 -58.344 53.4784 -58.3439 5.73455 GPRESSAVG: 2072800 80.3625 18.7964 54.162 23.7306 -32.8057 -59.1226 53.7587 -56.6452 5.04313 TIMING: 2072800 CPU: 6169.42, 0.00299989/step Wall: 6169.42, 0.00299989/step, 2.43924 hours remaining, 206.269531 MB of memory in use. ENERGY: 2072800 749.5845 2088.2359 1965.9809 118.4533 -205796.3655 17723.9355 0.0000 0.0000 34267.3607 -148882.8148 299.2654 -183150.1755 -148785.9232 300.4324 -93.7733 -64.7033 557750.6839 17.4146 17.5333 PRESSURE: 2073000 156.509 1.31182 -57.8678 1.31098 -218.336 29.5888 -57.8689 29.5876 211.349 GPRESSURE: 2073000 177.096 99.4878 -5.65241 -37.0986 -168.267 89.037 -26.1959 -95.6075 241.7 PRESSAVG: 2073000 -19.4707 14.2905 37.9476 14.2905 -9.36003 12.6483 37.9476 12.6482 22.6607 GPRESSAVG: 2073000 -20.0928 13.8738 38.2767 13.5505 -9.04664 13.1702 37.1555 12.8108 22.1096 TIMING: 2073000 CPU: 6170.02, 0.00299623/step Wall: 6170.02, 0.00299623/step, 2.4361 hours remaining, 206.269531 MB of memory in use. ENERGY: 2073000 715.0602 2104.6596 1966.4375 110.1540 -206075.7075 17843.0515 0.0000 0.0000 34346.8339 -148989.5108 299.9594 -183336.3447 -148899.1887 300.3213 49.8409 83.5094 557173.7275 -2.0567 -2.3433 PRESSURE: 2073200 171.16 -58.0186 41.0496 -58.0189 -206.599 -0.47997 41.0493 -0.478991 -14.4519 GPRESSURE: 2073200 198.228 -7.69189 77.2725 -75.8018 -180.471 -50.5825 86.5975 52.4852 26.1708 PRESSAVG: 2073200 -48.2824 -12.4121 4.73896 -12.4122 2.47196 -40.9835 4.73893 -40.9834 37.3738 GPRESSAVG: 2073200 -48.7858 -13.6613 6.13627 -11.753 3.43221 -41.3557 5.52622 -41.0539 36.8674 TIMING: 2073200 CPU: 6170.62, 0.00299691/step Wall: 6170.62, 0.00299691/step, 2.43649 hours remaining, 206.269531 MB of memory in use. ENERGY: 2073200 731.3197 2118.8082 1973.1410 124.1114 -206148.4640 17758.1060 0.0000 0.0000 34429.9657 -149013.0121 300.6855 -183442.9777 -148917.0807 299.9480 -16.6305 14.6427 558185.6342 -2.8122 -2.8287 PRESSURE: 2073400 -96.9397 -52.6461 -33.6735 -52.646 -59.2107 186.101 -33.6735 186.1 -188.607 GPRESSURE: 2073400 -62.7865 -80.595 -25.623 -120.176 -11.3534 147.105 -84.2825 114.839 -176.328 PRESSAVG: 2073400 -16.2895 3.79991 -6.93802 3.79994 83.5476 -62.4928 -6.93808 -62.4928 -49.1477 GPRESSAVG: 2073400 -15.4662 5.20732 -6.17739 2.14914 82.0964 -63.1143 -6.57405 -63.0473 -48.9826 TIMING: 2073400 CPU: 6171.22, 0.00299409/step Wall: 6171.22, 0.00299409/step, 2.43403 hours remaining, 206.269531 MB of memory in use. ENERGY: 2073400 783.4314 2137.4178 1976.1958 109.9994 -206094.2452 17655.1622 0.0000 0.0000 34458.0234 -148974.0153 300.9305 -183432.0386 -148872.1556 300.0009 -114.9191 -83.4894 557715.0733 6.0368 5.8825 PRESSURE: 2073600 -190.677 5.37999 -36.156 5.37915 -28.5779 -71.2413 -36.1553 -71.2421 -165.411 GPRESSURE: 2073600 -132.088 5.87873 -55.0167 54.392 7.66016 31.0588 38.0155 -138.979 -165.229 PRESSAVG: 2073600 -50.2241 -4.66773 -30.8369 -4.66782 13.9647 2.07316 -30.8368 2.07323 44.9354 GPRESSAVG: 2073600 -51.6746 -4.96848 -32.8686 -4.09893 14.7719 2.44545 -30.6085 2.91722 45.7013 TIMING: 2073600 CPU: 6171.82, 0.00299721/step Wall: 6171.82, 0.00299721/step, 2.4364 hours remaining, 206.269531 MB of memory in use. ENERGY: 2073600 725.3054 2121.2237 1945.6842 109.2131 -205897.9887 17633.2916 0.0000 0.0000 34361.8165 -149001.4540 300.0903 -183363.2705 -148907.3404 300.5293 -128.2219 -96.5523 558086.4137 2.8920 2.9328 PRESSURE: 2073800 73.546 -42.3653 -101.101 -42.3658 -65.7842 163.933 -101.1 163.931 -234.264 GPRESSURE: 2073800 146.843 1.24543 -142.724 -35.5714 -82.2899 100.828 -83.1792 155.905 -197.723 PRESSAVG: 2073800 31.9874 -31.0658 -10.2943 -31.0659 -27.5315 26.1814 -10.2942 26.1813 1.16246 GPRESSAVG: 2073800 31.4698 -29.4317 -10.9812 -32.4873 -27.4844 27.0709 -10.7972 25.9756 1.66752 TIMING: 2073800 CPU: 6172.41, 0.00299321/step Wall: 6172.41, 0.00299321/step, 2.43298 hours remaining, 206.269531 MB of memory in use. ENERGY: 2073800 734.9150 2029.1703 1940.6475 109.0037 -205555.1052 17500.3240 0.0000 0.0000 34399.3244 -148841.7203 300.4179 -183241.0447 -148739.6079 300.3871 -75.5008 -44.3898 559146.5400 1.8728 1.8843 PRESSURE: 2074000 88.2657 -136.083 57.8037 -136.084 67.4531 -16.5471 57.8036 -16.5455 36.5572 GPRESSURE: 2074000 80.7274 -75.5963 13.6933 -150.632 101.553 -28.066 18.3715 43.6328 101.6 PRESSAVG: 2074000 62.3239 -11.8027 -34.2625 -11.8026 -16.4505 11.4309 -34.2625 11.4309 -6.35721 GPRESSAVG: 2074000 63.2476 -11.6673 -34.0822 -11.9127 -16.3361 10.1893 -34.788 11.5267 -7.03152 TIMING: 2074000 CPU: 6173.01, 0.00296278/step Wall: 6173.01, 0.00296278/step, 2.40808 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: 2074000 743.4872 2050.0526 1958.3741 118.6077 -206130.5859 17848.2387 0.0000 0.0000 34558.0585 -148853.7671 301.8041 -183411.8256 -148762.7497 300.8089 64.0920 94.6270 557790.1377 13.1721 13.2933 PRESSURE: 2074200 -168.468 9.64209 -205.366 9.64198 197.347 -115.745 -205.367 -115.746 -148.869 GPRESSURE: 2074200 -102.88 7.5667 -151.735 41.2183 207.984 -179.451 -239.338 -76.9793 -116.514 PRESSAVG: 2074200 -54.478 9.15279 -12.9952 9.15277 3.23369 -13.4952 -12.9953 -13.4952 63.2486 GPRESSAVG: 2074200 -53.5529 8.47348 -13.2543 9.483 2.60377 -14.1253 -12.0424 -12.8981 63.1351 TIMING: 2074200 CPU: 6173.6, 0.00296753/step Wall: 6173.6, 0.00296753/step, 2.41178 hours remaining, 206.269531 MB of memory in use. ENERGY: 2074200 794.5517 2087.7465 1927.5962 98.3107 -205829.7418 17653.7894 0.0000 0.0000 34365.6403 -148902.1071 300.1237 -183267.7474 -148804.4224 300.7158 -39.9968 -3.8031 557193.3449 4.0014 4.0620 PRESSURE: 2074400 -217.587 -20.2986 227.336 -20.2995 -197.471 -90.3656 227.335 -90.3666 89.0377 GPRESSURE: 2074400 -177.758 26.1775 233.915 -42.4536 -174.88 66.9457 238.866 -135.706 124.202 PRESSAVG: 2074400 -39.7897 -0.511812 -49.4445 -0.511882 15.7625 -5.62669 -49.4445 -5.62675 6.81808 GPRESSAVG: 2074400 -40.0326 0.60129 -50.0321 -0.520569 15.4213 -5.16142 -50.1832 -6.31533 7.23439 TIMING: 2074400 CPU: 6174.2, 0.00299838/step Wall: 6174.2, 0.00299838/step, 2.43668 hours remaining, 206.269531 MB of memory in use. ENERGY: 2074400 759.8561 2100.1615 1975.0732 124.1701 -206194.4130 17684.5075 0.0000 0.0000 34295.3565 -149255.2880 299.5099 -183550.6445 -149157.8630 299.9184 -108.6737 -76.1452 555852.2226 -5.7364 -5.7923 PRESSURE: 2074600 -335.914 130.925 -28.0033 130.927 179.424 -53.496 -28.0032 -53.497 -58.7572 GPRESSURE: 2074600 -307.63 132.594 57.3105 68.1898 245.662 -29.0121 -57.8031 -104.525 -50.1794 PRESSAVG: 2074600 -20.9546 -24.969 11.2334 -24.969 66.1632 -14.9967 11.2334 -14.9967 -38.7866 GPRESSAVG: 2074600 -21.5728 -24.9271 11.5106 -23.8569 67.6325 -14.5695 12.0891 -13.8384 -39.8692 TIMING: 2074600 CPU: 6174.79, 0.00297237/step Wall: 6174.79, 0.00297237/step, 2.41538 hours remaining, 206.269531 MB of memory in use. ENERGY: 2074600 791.6167 2068.2529 1950.6441 109.0150 -206392.0862 17906.6040 0.0000 0.0000 34280.7416 -149285.2119 299.3822 -183565.9536 -149186.6444 299.4934 -71.7487 -37.3825 557819.7713 2.1407 2.0635 PRESSURE: 2074800 32.6129 -20.8719 -167.554 -20.871 -56.2109 -169.623 -167.555 -169.625 -338.757 GPRESSURE: 2074800 29.125 -11.3969 -178.925 -65.615 -39.7908 -150.987 -164.95 -128.517 -256.003 PRESSAVG: 2074800 -10.4298 -42.9267 6.78421 -42.9267 36.1744 -5.38611 6.78409 -5.38615 -12.8331 GPRESSAVG: 2074800 -10.4989 -44.5923 6.18003 -42.2404 35.3602 -4.333 6.04848 -6.15977 -11.5468 TIMING: 2074800 CPU: 6175.39, 0.00298378/step Wall: 6175.39, 0.00298378/step, 2.42448 hours remaining, 206.269531 MB of memory in use. ENERGY: 2074800 754.8454 2113.4854 1955.8522 120.7803 -206147.8599 17709.4074 0.0000 0.0000 34115.0815 -149378.4077 297.9355 -183493.4892 -149287.4258 298.5427 -120.7850 -88.8895 557057.0955 4.3039 4.4382 PRESSURE: 2075000 48.2916 46.1374 58.5572 46.1391 -73.3079 -43.7323 58.5576 -43.7309 -290.615 GPRESSURE: 2075000 10.8097 -90.6306 201.6 95.9156 22.5411 30.5712 46.8611 -32.9313 -256.061 PRESSAVG: 2075000 -39.7059 24.7007 -22.7771 24.7008 34.7348 21.3316 -22.7769 21.3316 -13.9113 GPRESSAVG: 2075000 -40.2194 24.8012 -21.5163 24.5901 35.1155 19.9484 -21.0392 22.5228 -13.5719 TIMING: 2075000 CPU: 6175.99, 0.00301428/step Wall: 6175.99, 0.00301428/step, 2.4491 hours remaining, 206.269531 MB of memory in use. ENERGY: 2075000 744.2799 2055.9330 1928.6047 114.3664 -206070.0221 17656.0729 0.0000 0.0000 34244.5946 -149326.1706 299.0666 -183570.7652 -149230.5818 298.7740 -105.2103 -74.2367 556802.2523 -6.2942 -6.2253 PRESSURE: 2075200 -56.4274 51.5481 -7.84258 51.5458 -101.802 166.084 -7.84368 166.083 -164.507 GPRESSURE: 2075200 -38.0874 41.8574 50.3363 44.0453 -74.0622 155.578 20.0779 122.234 -127.61 PRESSAVG: 2075200 -37.8933 -44.6812 37.7596 -44.6812 105.225 42.8177 37.7597 42.8177 -47.7398 GPRESSAVG: 2075200 -36.6065 -43.3975 39.5359 -44.7341 103.775 44.2834 35.6947 38.4661 -47.5302 TIMING: 2075200 CPU: 6176.59, 0.00296938/step Wall: 6176.59, 0.00296938/step, 2.41246 hours remaining, 206.269531 MB of memory in use. ENERGY: 2075200 715.7516 2063.1472 1898.2209 116.5828 -206279.0887 17716.3319 0.0000 0.0000 34380.2355 -149388.8189 300.2511 -183769.0544 -149292.8741 298.9427 -107.5788 -79.9198 557661.5878 6.5308 6.5461 PRESSURE: 2075400 290.743 -111.07 -111.523 -111.071 -124.186 50.6446 -111.524 50.6446 -65.6139 GPRESSURE: 2075400 282.834 -119.352 -109.844 -110.085 -39.3454 15.616 -72.254 36.3687 -53.3408 PRESSAVG: 2075400 -33.1451 -27.8077 -4.00971 -27.8076 43.0284 30.305 -4.00967 30.305 22.3456 GPRESSAVG: 2075400 -33.4781 -28.3278 -5.65916 -27.166 44.5043 31.5458 -3.70076 31.1552 21.579 TIMING: 2075400 CPU: 6177.18, 0.0029805/step Wall: 6177.18, 0.0029805/step, 2.42132 hours remaining, 206.269531 MB of memory in use. ENERGY: 2075400 747.4503 2102.0045 1952.1906 105.9842 -206533.5329 17807.5386 0.0000 0.0000 34579.2560 -149239.1088 301.9892 -183818.3648 -149135.8897 298.7149 33.6478 63.3826 557607.9609 10.7430 10.8684 PRESSURE: 2075600 180.815 172.012 -70.6862 172.013 -334.113 0.215265 -70.6856 0.213984 -140.985 GPRESSURE: 2075600 172.79 114.867 -26.6618 195.188 -295.381 -20.9535 -47.0826 -23.0067 -78.0535 PRESSAVG: 2075600 12.0654 -7.69671 5.21723 -7.69661 2.40518 -16.1699 5.21725 -16.1699 -5.71989 GPRESSAVG: 2075600 11.8007 -7.13465 6.75663 -8.75581 2.31649 -19.4416 3.60206 -13.5276 -5.75395 TIMING: 2075600 CPU: 6177.78, 0.00295948/step Wall: 6177.78, 0.00295949/step, 2.40409 hours remaining, 206.269531 MB of memory in use. ENERGY: 2075600 767.8300 2078.6467 1940.6321 108.9627 -206091.4037 17693.1045 0.0000 0.0000 34301.4506 -149200.7770 299.5631 -183502.2276 -149109.1891 298.7182 -98.0946 -66.8814 558546.6174 2.9169 2.7878 PRESSURE: 2075800 -15.3358 80.2073 -7.51684 80.2088 2.42195 153.685 -7.51782 153.685 114.449 GPRESSURE: 2075800 20.2379 48.1115 18.0796 22.2354 -8.92247 128.486 11.9919 186.398 176.853 PRESSAVG: 2075800 29.4788 9.9989 -18.6168 9.99884 -30.3012 22.3517 -18.6167 22.3517 -14.7852 GPRESSAVG: 2075800 29.691 11.59 -19.323 8.02602 -31.0185 22.4266 -19.9193 22.4581 -13.9581 TIMING: 2075800 CPU: 6178.38, 0.00301182/step Wall: 6178.38, 0.00301182/step, 2.44643 hours remaining, 206.269531 MB of memory in use. ENERGY: 2075800 722.1250 2167.7642 1912.7827 123.2564 -206359.4058 17820.6128 0.0000 0.0000 34512.8762 -149099.9884 301.4095 -183612.8646 -149002.0567 299.4855 33.8450 62.7227 557212.5777 -5.2025 -5.0952 PRESSURE: 2076000 191.256 45.0641 0.765018 45.0655 113.334 -101.393 0.76459 -101.393 -146.968 GPRESSURE: 2076000 225.199 -27.0994 11.8153 -39.2775 125.213 -170.793 -51.4303 -27.6588 -96.1988 PRESSAVG: 2076000 43.5768 38.4453 5.57465 38.4453 -12.6609 -38.9606 5.57458 -38.9605 -37.8837 GPRESSAVG: 2076000 44.0715 36.9692 4.50928 40.3967 -12.4053 -37.9312 6.9289 -40.3696 -37.9964 TIMING: 2076000 CPU: 6178.98, 0.00298474/step Wall: 6178.98, 0.00298474/step, 2.42427 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: 2076000 814.6571 2098.1241 1974.8517 121.6939 -206650.7450 18102.5160 0.0000 0.0000 34409.8923 -149129.0097 300.5101 -183538.9020 -149040.9793 299.1442 52.5407 84.7377 557314.9479 -2.3226 -2.1101 PRESSURE: 2076200 152.646 -137.119 -35.298 -137.119 150.138 233.457 -35.2977 233.456 356.051 GPRESSURE: 2076200 152.185 -142.831 -11.4787 -85.6159 222.087 216.142 -65.2084 194.233 381.53 PRESSAVG: 2076200 -2.85459 -53.1836 52.795 -53.1836 53.1808 17.2898 52.795 17.2897 -36.0357 GPRESSAVG: 2076200 -3.49995 -52.4889 52.3123 -52.4169 53.1417 16.7228 52.4419 17.3062 -35.6513 TIMING: 2076200 CPU: 6179.57, 0.00297164/step Wall: 6179.57, 0.00297164/step, 2.41347 hours remaining, 206.269531 MB of memory in use. ENERGY: 2076200 723.2329 2104.4542 1964.9337 116.2742 -206348.3389 18062.2458 0.0000 0.0000 34172.6993 -149204.4989 298.4387 -183377.1981 -149103.6782 299.5086 219.6118 251.9340 556486.2898 4.7635 4.6635 LDB: ============= START OF LOAD BALANCING ============== 6183 LDB: ============== END OF LOAD BALANCING =============== 6183 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6183 LDB: ============= START OF LOAD BALANCING ============== 6183.3 LDB: Largest compute 4821 load 0.025908 is 21.9% of average load 0.118084 LDB: Average compute 0.001716 is 1.5% of average load 0.118084 LDB: TIME 6183.3 LOAD: AVG 0.118084 MAX 0.201354 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 6183.3 LOAD: AVG 0.118084 MAX 0.201354 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: TIME 6183.3 LOAD: AVG 0.118084 MAX 0.201354 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: ============== END OF LOAD BALANCING =============== 6183.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6183.31 PRESSURE: 2076400 305.977 -80.1359 -83.8429 -80.1365 230.328 -95.6265 -83.8418 -95.6266 72.218 GPRESSURE: 2076400 311.065 -61.4905 -118.535 -73.1185 249.91 -165.757 -36.4575 -57.5067 133.469 PRESSAVG: 2076400 -17.22 25.9201 -18.0098 25.9202 9.78541 -7.2462 -18.0098 -7.24614 -5.57775 GPRESSAVG: 2076400 -17.5998 25.4966 -19.4891 24.1666 10.8959 -6.24136 -14.7371 -7.78609 -6.50618 TIMING: 2076400 CPU: 6180.18, 0.00304196/step Wall: 6180.18, 0.00304196/step, 2.47041 hours remaining, 204.917969 MB of memory in use. ENERGY: 2076400 736.0400 2102.6897 1917.4165 100.5416 -206573.3712 18121.0808 0.0000 0.0000 34167.6320 -149427.9706 298.3944 -183595.6026 -149332.4083 298.8964 202.8410 231.4813 557369.0998 -4.3374 -4.4034 PRESSURE: 2076600 13.4945 33.6082 -8.52735 33.6097 16.5058 -108.246 -8.52788 -108.245 -45.6795 GPRESSURE: 2076600 -12.9735 19.4452 33.2807 63.7747 75.3364 -51.207 -55.4102 -265.941 9.64076 PRESSAVG: 2076600 22.0801 35.7589 17.339 35.7588 6.41337 -10.4941 17.3391 -10.4941 -69.1877 GPRESSAVG: 2076600 23.6575 35.0387 19.2571 35.1523 5.49742 -11.2746 14.7624 -10.5577 -70.0114 TIMING: 2076600 CPU: 6180.78, 0.00299898/step Wall: 6180.78, 0.00299898/step, 2.43534 hours remaining, 204.917969 MB of memory in use. ENERGY: 2076600 724.4186 2117.9163 1957.2369 103.1190 -206165.4537 17809.2258 0.0000 0.0000 34024.8848 -149428.6524 297.1478 -183453.5372 -149326.0020 297.5820 -5.2264 24.0012 559124.5918 -13.5647 -13.6188 PRESSURE: 2076800 -13.9719 -95.2242 109.169 -95.224 -330.328 -0.920786 109.169 -0.92055 -107.15 GPRESSURE: 2076800 -12.2993 37.4132 111.789 -116.645 -250.059 75.4662 123.69 -39.1337 -85.918 PRESSAVG: 2076800 15.8778 -11.1523 26.5419 -11.1522 3.28077 -11.582 26.5419 -11.582 -5.49674 GPRESSAVG: 2076800 16.1971 -10.2425 24.7466 -9.87438 2.02804 -11.2803 27.1445 -11.5296 -4.35425 TIMING: 2076800 CPU: 6181.38, 0.00300145/step Wall: 6181.38, 0.00300145/step, 2.43718 hours remaining, 204.917969 MB of memory in use. ENERGY: 2076800 788.4442 2080.5637 1904.3563 115.0309 -206278.3163 17726.8222 0.0000 0.0000 34158.8437 -149504.2552 298.3177 -183663.0988 -149417.9097 298.5720 -150.4831 -116.0921 558021.4998 4.5539 4.6236 PRESSURE: 2077000 5.21361 -80.9632 58.6578 -80.9636 -133.184 30.6467 58.6585 30.6467 42.7619 GPRESSURE: 2077000 88.5678 -82.9375 84.1683 -102.555 -208.493 -1.50975 107.851 -63.7907 122.775 PRESSAVG: 2077000 30.8914 -1.59533 -11.5208 -1.59536 -64.9884 20.8062 -11.5208 20.8063 6.98944 GPRESSAVG: 2077000 29.7859 -1.8711 -12.9896 -3.81012 -64.4557 20.9942 -11.59 20.9169 7.54931 TIMING: 2077000 CPU: 6181.97, 0.00297635/step Wall: 6181.97, 0.00297635/step, 2.41663 hours remaining, 204.917969 MB of memory in use. ENERGY: 2077000 764.0766 2118.0080 1936.4724 103.7912 -206504.2085 17947.3241 0.0000 0.0000 34145.1523 -149489.3839 298.1981 -183634.5362 -149391.1323 298.0607 -28.4029 0.9501 558572.7863 -9.0359 -9.0402 PRESSURE: 2077200 117.118 -137.065 63.3073 -137.065 21.4891 -38.1914 63.3078 -38.1921 72.1153 GPRESSURE: 2077200 113.376 -111.813 155.794 -102.018 57.5886 -111.255 7.8594 90.0283 131.81 PRESSAVG: 2077200 -3.04006 -10.3016 21.9111 -10.3016 9.67421 -6.90813 21.9111 -6.90811 -22.1796 GPRESSAVG: 2077200 -4.07531 -11.7034 23.5133 -7.96862 10.3145 -5.91242 21.826 -6.82513 -21.8073 TIMING: 2077200 CPU: 6182.57, 0.00298225/step Wall: 6182.57, 0.00298225/step, 2.42126 hours remaining, 204.917969 MB of memory in use. ENERGY: 2077200 781.6985 2049.9488 1924.0311 116.1310 -206812.6372 18125.1928 0.0000 0.0000 34279.6881 -149535.9468 299.3730 -183815.6350 -149435.6305 297.9100 70.2407 100.9251 558669.2957 -5.1818 -5.1894 PRESSURE: 2077400 56.889 14.7854 -76.5813 14.7865 -88.0921 -56.0983 -76.5806 -56.0989 -130.546 GPRESSURE: 2077400 187.272 -1.78845 -98.2963 57.2694 -70.6948 -81.3704 42.5372 -39.6701 -184.336 PRESSAVG: 2077400 -62.004 -47.2593 7.70011 -47.2593 50.9007 33.5663 7.70007 33.5664 16.219 GPRESSAVG: 2077400 -59.3876 -46.8697 9.58925 -47.952 49.9325 32.9164 6.98901 33.7309 14.972 TIMING: 2077400 CPU: 6183.16, 0.00297266/step Wall: 6183.16, 0.00297266/step, 2.4133 hours remaining, 204.917969 MB of memory in use. ENERGY: 2077400 754.3536 2092.1184 1937.4441 105.1024 -206537.0694 17974.9922 0.0000 0.0000 34159.7316 -149513.3271 298.3254 -183673.0587 -149416.7599 298.4739 -53.9165 -22.5861 558258.4122 1.7053 1.8389 PRESSURE: 2077600 -242.367 -27.4024 64.0427 -27.4035 202.104 165.186 64.0415 165.185 140.045 GPRESSURE: 2077600 -207.506 -48.7224 23.2406 -107.641 184.94 145.887 49.4449 214.335 204.721 PRESSAVG: 2077600 -22.8339 -32.7419 16.3957 -32.7419 14.4017 -2.55179 16.3958 -2.5518 -16.8358 GPRESSAVG: 2077600 -25.3598 -31.9963 15.1432 -33.822 15.4408 -1.96523 16.2193 -2.43042 -14.9941 TIMING: 2077600 CPU: 6183.76, 0.00299081/step Wall: 6183.76, 0.00299081/step, 2.42787 hours remaining, 204.917969 MB of memory in use. ENERGY: 2077600 754.5822 2061.2179 1939.0504 107.2207 -206397.9911 17906.8731 0.0000 0.0000 33969.8761 -149659.1706 296.6674 -183629.0467 -149563.1287 297.8669 33.2607 60.7184 557911.2570 -8.4226 -8.3044 PRESSURE: 2077800 -347.576 -10.7784 -47.3012 -10.7789 39.1381 67.3491 -47.3016 67.3492 152.341 GPRESSURE: 2077800 -314.25 -59.7933 7.00551 -5.20518 72.8479 68.8118 -21.3149 -96.2683 178.945 PRESSAVG: 2077800 -65.1108 18.3785 24.3569 18.3785 34.5172 -1.12232 24.3569 -1.12228 32.7666 GPRESSAVG: 2077800 -62.8132 17.3963 25.2242 20.0011 33.4924 -1.96204 24.2274 -1.74671 30.9625 TIMING: 2077800 CPU: 6184.36, 0.00299371/step Wall: 6184.36, 0.00299371/step, 2.43006 hours remaining, 204.917969 MB of memory in use. ENERGY: 2077800 713.4875 2100.0631 1923.6763 120.8434 -206640.2996 17899.7218 0.0000 0.0000 34234.9008 -149647.6067 298.9819 -183882.5076 -149549.3798 297.4677 -52.0324 -20.8193 558623.4516 0.7243 0.5472 PRESSURE: 2078000 -342.884 -139.62 -81.3142 -139.621 81.1077 -57.4107 -81.3151 -57.4107 -178.563 GPRESSURE: 2078000 -270.876 -148.625 -103.966 -95.1723 74.4778 -94.4343 -56.8813 -18.4264 -142.457 PRESSAVG: 2078000 -43.6529 -45.7591 -0.495852 -45.7591 -15.9483 61.544 -0.495793 61.544 -0.134458 GPRESSAVG: 2078000 -44.8425 -45.6487 -2.2214 -47.1857 -15.2348 61.3667 0.0696508 62.0137 -0.0106163 TIMING: 2078000 CPU: 6184.97, 0.00302584/step Wall: 6184.97, 0.00302584/step, 2.45598 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: 2078000 734.4474 2105.3067 1953.8345 114.2042 -206317.9332 17695.6693 0.0000 0.0000 34120.9376 -149593.5335 297.9866 -183714.4711 -149491.0756 297.6651 -146.7799 -112.9517 558380.4937 -19.9119 -20.0293 PRESSURE: 2078200 -85.2893 97.6712 111.035 97.6695 -126.479 233.86 111.035 233.862 -303.006 GPRESSURE: 2078200 -116.608 4.6953 129.231 86.2716 -43.1975 238.373 192.159 196.652 -266.819 PRESSAVG: 2078200 15.9511 -32.3521 44.9871 -32.3521 -13.1679 10.6651 44.9871 10.6651 -25.1532 GPRESSAVG: 2078200 15.7357 -29.8774 44.8773 -32.7128 -13.3114 12.2237 45.2765 11.1773 -24.6427 TIMING: 2078200 CPU: 6185.56, 0.0029903/step Wall: 6185.56, 0.0029903/step, 2.42696 hours remaining, 204.917969 MB of memory in use. ENERGY: 2078200 761.0941 2114.9217 1966.8123 133.8122 -206286.9295 17570.1369 0.0000 0.0000 34075.5484 -149664.6039 297.5902 -183740.1523 -149570.0446 298.2517 -171.5913 -142.2083 557448.9781 -7.4567 -7.4062 PRESSURE: 2078400 -111.696 -82.9205 -26.8619 -82.9215 16.3659 -79.6213 -26.8621 -79.6203 -35.2355 GPRESSURE: 2078400 -100.121 -8.54326 -1.95416 -137.002 71.9236 -119.86 -36.3872 -17.3497 1.58043 PRESSAVG: 2078400 17.0348 -43.1262 72.2248 -43.1262 -11.1778 30.3351 72.2247 30.3352 -22.1294 GPRESSAVG: 2078400 16.4806 -43.286 73.3416 -43.0397 -12.0474 29.8512 71.9169 31.1933 -20.7489 TIMING: 2078400 CPU: 6186.16, 0.00299778/step Wall: 6186.16, 0.00299778/step, 2.43286 hours remaining, 204.917969 MB of memory in use. ENERGY: 2078400 731.3240 2072.0642 1939.9830 118.3985 -206693.9819 17833.6331 0.0000 0.0000 34233.0629 -149765.5163 298.9659 -183998.5792 -149668.9705 297.6550 -43.5220 -8.8723 556365.8002 -5.4241 -5.4386 PRESSURE: 2078600 -107.372 -85.4223 -58.2769 -85.4226 52.213 -122.623 -58.2765 -122.623 212.773 GPRESSURE: 2078600 -87.2936 -145.061 -132.589 -72.0004 88.7828 -159.941 -48.0747 -157.193 249.458 PRESSAVG: 2078600 -10.4537 5.52677 -22.2359 5.52678 8.34241 -21.8052 -22.2358 -21.8053 -12.0414 GPRESSAVG: 2078600 -10.4163 4.54965 -20.0482 5.63851 8.2455 -22.2077 -25.7283 -23.4328 -11.3667 TIMING: 2078600 CPU: 6186.77, 0.00300895/step Wall: 6186.77, 0.00300895/step, 2.44176 hours remaining, 204.917969 MB of memory in use. ENERGY: 2078600 748.5668 2036.6399 1936.7616 110.1475 -206745.7595 17759.5469 0.0000 0.0000 34386.9179 -149767.1789 300.3095 -184154.0968 -149660.9803 297.6655 52.5380 83.6489 554835.6067 -4.7176 -4.5125 PRESSURE: 2078800 9.62255 -39.3275 46.8557 -39.3293 129.837 -82.0377 46.8552 -82.0367 110.567 GPRESSURE: 2078800 53.2233 -40.1114 65.6623 -49.8189 127.896 23.3982 -23.4498 -89.4398 143.951 PRESSAVG: 2078800 -49.6158 -19.6851 8.90848 -19.6851 1.78444 -71.4688 8.90853 -71.4688 20.3995 GPRESSAVG: 2078800 -49.3415 -19.5005 6.19817 -18.3106 2.17683 -70.7771 12.7372 -71.3214 19.6541 TIMING: 2078800 CPU: 6187.36, 0.00297022/step Wall: 6187.36, 0.00297022/step, 2.41017 hours remaining, 204.917969 MB of memory in use. ENERGY: 2078800 756.5455 2023.8957 1959.7409 119.4305 -207153.2741 18260.4325 0.0000 0.0000 34048.2239 -149985.0052 297.3516 -184033.2290 -149887.6317 297.9999 83.3422 108.3565 556571.7409 -9.1439 -9.1702 PRESSURE: 2079000 -177.861 171.598 73.6146 171.598 58.2647 -94.5837 73.6144 -94.5842 -205.412 GPRESSURE: 2079000 -191.147 118.423 108.553 179.054 88.5869 -151.674 44.6955 -77.1301 -117.953 PRESSAVG: 2079000 -27.9723 1.86742 70.7654 1.86745 10.7194 3.65593 70.7653 3.6559 38.6965 GPRESSAVG: 2079000 -28.1233 1.34 69.726 -0.0858086 11.2609 2.41286 70.8231 6.34698 38.2482 TIMING: 2079000 CPU: 6187.96, 0.0029792/step Wall: 6187.96, 0.0029792/step, 2.41729 hours remaining, 204.917969 MB of memory in use. ENERGY: 2079000 720.8409 2091.7270 1967.8733 110.2577 -206913.7099 17881.4311 0.0000 0.0000 34113.2799 -150028.3001 297.9198 -184141.5800 -149934.8215 297.0602 -108.3364 -73.5044 557115.4924 7.1478 7.1286 PRESSURE: 2079200 136.78 -151.889 -63.7388 -151.89 127.962 -34.317 -63.7383 -34.3161 230.132 GPRESSURE: 2079200 172.954 -108.827 -59.6894 -159.431 165.743 -10.2733 -39.3677 -114.297 255.065 PRESSAVG: 2079200 -66.1504 -10.334 8.20635 -10.334 54.0283 -5.75348 8.20635 -5.75353 11.6203 GPRESSAVG: 2079200 -66.0321 -7.65285 9.72355 -11.8141 53.7278 -7.1822 7.89867 -5.29682 12.194 TIMING: 2079200 CPU: 6188.55, 0.00299279/step Wall: 6188.55, 0.00299279/step, 2.42815 hours remaining, 204.917969 MB of memory in use. ENERGY: 2079200 723.5919 2083.0897 1947.0934 118.6469 -207192.0185 18201.1943 0.0000 0.0000 34031.0675 -150087.3347 297.2018 -184118.4022 -149987.3768 296.8750 164.9583 197.9204 555014.5108 -0.1673 -0.0368 PRESSURE: 2079400 8.74364 -81.9594 -104.133 -81.9609 -36.8176 148.669 -104.133 148.667 88.1323 GPRESSURE: 2079400 -3.03396 -46.0841 -40.8196 -205.978 28.6114 123.588 -142.971 83.7913 124.628 PRESSAVG: 2079400 -86.4065 -32.6822 -79.3263 -32.6823 37.0963 42.0983 -79.3264 42.0983 62.522 GPRESSAVG: 2079400 -87.2708 -34.7028 -78.5494 -32.3167 38.0542 41.3075 -77.8672 41.0411 62.668 TIMING: 2079400 CPU: 6189.15, 0.00299237/step Wall: 6189.15, 0.00299237/step, 2.42765 hours remaining, 204.917969 MB of memory in use. ENERGY: 2079400 743.4879 2102.6176 1970.1567 119.8222 -207188.8671 18122.6564 0.0000 0.0000 33986.5712 -150143.5551 296.8132 -184130.1263 -150054.5617 296.9105 20.0194 50.0685 556184.4726 4.4039 4.4838 PRESSURE: 2079600 -26.5979 137.652 -4.30549 137.651 95.0626 87.8596 -4.30595 87.8611 -249.027 GPRESSURE: 2079600 -7.76917 204.163 -96.6441 47.0137 133.431 102.117 41.8096 113.595 -218.478 PRESSAVG: 2079600 60.5917 -56.7734 -18.0158 -56.7735 4.00046 47.8231 -18.0158 47.8231 -50.978 GPRESSAVG: 2079600 61.1386 -55.9484 -20.568 -54.7577 3.19936 51.3481 -19.3014 46.2259 -50.4316 TIMING: 2079600 CPU: 6189.75, 0.00299683/step Wall: 6189.75, 0.00299683/step, 2.43109 hours remaining, 204.917969 MB of memory in use. ENERGY: 2079600 750.5339 2180.9483 1934.3690 108.0656 -207087.4071 17981.7956 0.0000 0.0000 34160.4461 -149971.2486 298.3317 -184131.6947 -149877.0347 297.6775 -60.1874 -30.9389 556691.1046 4.5380 4.6355 PRESSURE: 2079800 -42.5039 -85.3327 19.653 -85.3331 -232.327 223.78 19.6547 223.779 81.1352 GPRESSURE: 2079800 -0.5066 -60.5757 34.5509 -160.524 -173.192 234.521 -10.0393 157.483 87.4934 PRESSAVG: 2079800 33.9153 -1.40121 -65.7438 -1.40113 27.2214 20.5549 -65.7438 20.5548 -11.8572 GPRESSAVG: 2079800 33.193 0.408329 -64.1822 -2.62045 27.3469 20.5129 -66.5071 21.7713 -11.2663 TIMING: 2079800 CPU: 6190.35, 0.00297451/step Wall: 6190.35, 0.00297451/step, 2.41282 hours remaining, 204.917969 MB of memory in use. ENERGY: 2079800 741.9700 2104.2251 1945.8156 112.1994 -206703.7663 17815.8104 0.0000 0.0000 34138.7277 -149845.0180 298.1420 -183983.7457 -149752.6303 297.3748 -64.5651 -28.7352 556247.1660 16.4265 16.4245 PRESSURE: 2080000 165.962 25.1695 -27.6355 25.1684 -51.4668 10.5555 -27.6355 10.5561 38.3745 GPRESSURE: 2080000 158.939 95.9094 19.3064 -14.8134 48.3092 5.08302 22.7814 -16.7577 44.6615 PRESSAVG: 2080000 -10.0931 -39.1637 23.7294 -39.1638 -14.9668 12.7055 23.7294 12.7055 5.62567 GPRESSAVG: 2080000 -11.4172 -40.0219 23.7081 -39.0958 -13.5107 10.7706 24.9649 12.0435 5.25913 TIMING: 2080000 CPU: 6190.94, 0.00297764/step Wall: 6190.94, 0.00297764/step, 2.4152 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: 2080000 721.3442 2078.2915 1968.2133 104.4480 -206860.1712 18010.3742 0.0000 0.0000 34048.6840 -149928.8160 297.3556 -183977.4999 -149827.7792 297.3278 50.9564 83.9697 556094.5678 -6.4781 -6.5563 PRESSURE: 2080200 117.655 169.904 -109.806 169.904 374.692 -121.55 -109.806 -121.548 -79.84 GPRESSURE: 2080200 139.988 37.9933 -36.9992 163.685 366.482 -162.774 -97.6456 -67.0781 8.09337 PRESSAVG: 2080200 78.4994 -35.7375 0.586251 -35.7376 -23.4905 11.1147 0.586221 11.1147 -29.6792 GPRESSAVG: 2080200 79.6041 -37.3831 -0.566358 -36.7542 -24.8661 10.1041 0.806866 12.4656 -29.2715 TIMING: 2080200 CPU: 6191.54, 0.00300041/step Wall: 6191.54, 0.00300041/step, 2.4335 hours remaining, 204.917969 MB of memory in use. ENERGY: 2080200 752.5367 2075.6643 1939.8631 110.0643 -206859.1490 18076.9809 0.0000 0.0000 34034.3185 -149869.7212 297.2302 -183904.0397 -149768.3161 297.6251 137.5023 171.5213 555879.6601 8.4432 8.4888 LDB: ============= START OF LOAD BALANCING ============== 6194.97 LDB: ============== END OF LOAD BALANCING =============== 6194.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6194.97 LDB: ============= START OF LOAD BALANCING ============== 6195.27 LDB: Largest compute 4821 load 0.026211 is 22.2% of average load 0.118092 LDB: Average compute 0.001706 is 1.4% of average load 0.118092 LDB: TIME 6195.27 LOAD: AVG 0.118092 MAX 0.200429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 6195.27 LOAD: AVG 0.118092 MAX 0.200429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: TIME 6195.27 LOAD: AVG 0.118092 MAX 0.200429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 6195.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6195.28 PRESSURE: 2080400 57.394 42.0256 43.4387 42.0264 288.584 68.5613 43.4391 68.5616 -62.5913 GPRESSURE: 2080400 150.986 30.6395 48.511 35.8985 286.386 101.265 95.6472 -15.131 -61.4939 PRESSAVG: 2080400 -37.8603 -19.9825 -17.7296 -19.9825 32.9136 22.8675 -17.7297 22.8675 -8.46462 GPRESSAVG: 2080400 -36.2011 -20.0317 -17.9396 -18.729 31.486 24.428 -18.9168 20.9669 -8.92738 TIMING: 2080400 CPU: 6192.15, 0.00303126/step Wall: 6192.15, 0.00303126/step, 2.45836 hours remaining, 204.718750 MB of memory in use. ENERGY: 2080400 725.2142 2119.8280 1943.6526 122.0730 -206775.5398 18049.9159 0.0000 0.0000 33892.2598 -149922.5963 295.9895 -183814.8560 -149824.9852 297.2673 94.4623 125.2927 556004.2830 -4.4705 -4.5475 PRESSURE: 2080600 -181.258 -23.4671 126.205 -23.4668 -237.612 72.7258 126.205 72.7255 -7.69235 GPRESSURE: 2080600 -163.851 -49.5305 142.791 -2.3814 -218.85 68.8894 131.12 39.8582 44.3944 PRESSAVG: 2080600 24.0176 -7.92151 29.4539 -7.92151 -24.7333 39.7043 29.4539 39.7044 8.33435 GPRESSAVG: 2080600 23.4986 -8.27465 30.039 -7.0316 -24.4739 42.4198 31.202 38.9166 9.22487 TIMING: 2080600 CPU: 6192.74, 0.00296976/step Wall: 6192.74, 0.00296976/step, 2.40831 hours remaining, 204.718750 MB of memory in use. ENERGY: 2080600 771.3428 2052.9091 1950.9852 115.7993 -206707.4495 17893.8515 0.0000 0.0000 34135.3711 -149787.1904 298.1127 -183922.5615 -149695.7857 297.7853 -142.1876 -112.7687 557111.9128 2.5395 2.7499 PRESSURE: 2080800 -266.939 -157.732 -7.62852 -157.732 -35.3788 -12.5741 -7.62809 -12.5732 -82.7706 GPRESSURE: 2080800 -259.222 -81.3527 -78.3464 -99.446 47.089 86.8268 -7.85758 33.6423 -73.9087 PRESSAVG: 2080800 35.6293 -6.59624 22.242 -6.59634 64.4616 21.311 22.242 21.311 -55.3335 GPRESSAVG: 2080800 34.8247 -7.11777 22.435 -7.02124 65.5932 18.8707 19.5016 24.569 -55.1423 TIMING: 2080800 CPU: 6193.34, 0.00296249/step Wall: 6193.34, 0.00296249/step, 2.40225 hours remaining, 204.718750 MB of memory in use. ENERGY: 2080800 750.9497 2061.5438 1979.8263 126.6156 -206434.3570 17792.7002 0.0000 0.0000 34151.3632 -149571.3582 298.2523 -183722.7214 -149475.7559 297.8809 -128.3626 -95.3472 557733.6110 14.9191 15.0919 PRESSURE: 2081000 133.225 -222.705 31.8594 -222.705 -121.882 -37.7969 31.86 -37.7978 -119.957 GPRESSURE: 2081000 77.8601 -211.841 36.7937 -202.62 -1.32015 -79.5228 81.5214 -118.742 -89.0878 PRESSAVG: 2081000 -44.3126 -13.311 21.7043 -13.3111 43.0934 4.9593 21.7043 4.95923 9.49297 GPRESSAVG: 2081000 -43.6556 -12.185 20.8613 -15.1682 42.5022 2.8523 22.2385 2.69012 9.30239 TIMING: 2081000 CPU: 6193.93, 0.0029897/step Wall: 6193.93, 0.0029897/step, 2.42415 hours remaining, 204.718750 MB of memory in use. ENERGY: 2081000 779.6918 2114.9023 1966.7731 115.7064 -206653.3435 18008.2623 0.0000 0.0000 34046.7762 -149621.2313 297.3390 -183668.0075 -149522.7659 297.9248 -36.2046 -4.1826 558841.1102 2.7579 2.7163 PRESSURE: 2081200 -282.031 -6.11372 -70.9236 -6.11321 68.094 40.1056 -70.9242 40.1076 290.487 GPRESSURE: 2081200 -176.459 34.1108 -130.161 41.7658 61.599 128.803 -10.15 22.4509 289.138 PRESSAVG: 2081200 -38.1665 -4.44827 1.5379 -4.4483 -23.6381 23.1664 1.53801 23.1663 -12.0106 GPRESSAVG: 2081200 -39.2364 -5.54083 2.19218 -2.79701 -23.1496 21.8322 2.46244 24.3725 -11.5279 TIMING: 2081200 CPU: 6194.53, 0.0029813/step Wall: 6194.53, 0.0029813/step, 2.41717 hours remaining, 204.718750 MB of memory in use. ENERGY: 2081200 734.1301 2122.7210 1954.8368 130.5175 -206864.0482 18150.9747 0.0000 0.0000 34109.7621 -149661.1062 297.8890 -183770.8682 -149560.0218 297.9836 25.5167 58.0928 558222.1746 -24.6051 -24.6380 PRESSURE: 2081400 244.589 -24.4887 136.523 -24.4901 -12.0044 200.276 136.523 200.275 -22.1602 GPRESSURE: 2081400 283.162 -7.42008 95.4173 -29.8497 20.2166 193.63 169.899 151.289 -0.673015 PRESSAVG: 2081400 -26.8214 -49.9113 -3.08007 -49.9113 -1.21394 16.7737 -3.08 16.7737 56.818 GPRESSAVG: 2081400 -25.8907 -50.0143 -3.38535 -48.4693 -1.72164 19.8335 -4.17229 16.1059 56.583 TIMING: 2081400 CPU: 6195.13, 0.00298495/step Wall: 6195.13, 0.00298495/step, 2.41996 hours remaining, 204.718750 MB of memory in use. ENERGY: 2081400 729.4079 2074.7142 1918.0808 116.6829 -206638.4041 17967.8260 0.0000 0.0000 34341.0368 -149490.6556 299.9088 -183831.6924 -149396.6435 298.1064 70.1413 100.9020 557078.4937 9.5942 9.6569 PRESSURE: 2081600 -92.8473 48.7551 27.7182 48.7561 -74.1497 -59.4244 27.7191 -59.4255 -142.912 GPRESSURE: 2081600 -59.0918 -27.412 183.568 46.7468 -63.2723 -50.8937 -52.1264 72.3489 -91.7212 PRESSAVG: 2081600 14.0912 24.0013 26.9008 24.0012 -52.3937 5.21099 26.9008 5.21102 49.7882 GPRESSAVG: 2081600 14.0447 22.8871 27.9781 23.2624 -51.9758 7.04111 27.8446 4.45434 50.3725 TIMING: 2081600 CPU: 6195.72, 0.00299107/step Wall: 6195.72, 0.00299107/step, 2.42476 hours remaining, 204.718750 MB of memory in use. ENERGY: 2081600 751.1205 2055.0444 1953.8680 121.3309 -206041.5212 17640.2715 0.0000 0.0000 34087.9405 -149431.9454 297.6985 -183519.8859 -149335.0492 298.4345 -103.3030 -71.3617 556737.8216 3.8286 4.1471 PRESSURE: 2081800 -246.7 45.3707 145.933 45.3715 -184.942 83.2784 145.933 83.2783 -298.062 GPRESSURE: 2081800 -190.515 -20.6695 157.629 28.4363 -185.119 63.9392 155.035 72.2335 -257.788 PRESSAVG: 2081800 -10.9225 10.7085 8.04757 10.7085 -41.9224 54.4785 8.04758 54.4785 50.2873 GPRESSAVG: 2081800 -10.8814 10.1388 6.12528 11.033 -41.8174 52.1671 7.95758 55.0113 49.4287 TIMING: 2081800 CPU: 6196.32, 0.00297448/step Wall: 6196.32, 0.00297448/step, 2.41115 hours remaining, 204.718750 MB of memory in use. ENERGY: 2081800 730.3339 2083.7874 1930.8820 114.9478 -206154.0881 17572.2838 0.0000 0.0000 34265.0362 -149456.8169 299.2451 -183721.8531 -149361.1241 298.2221 -243.2348 -211.1410 556983.8677 -0.8525 -1.0900 PRESSURE: 2082000 -303.63 85.6815 -66.5621 85.6818 -158.73 45.1875 -66.5632 45.1882 -101.771 GPRESSURE: 2082000 -260.153 113.296 -131.356 74.2243 -123.73 -3.44647 -33.9392 101.814 -92.0139 PRESSAVG: 2082000 -89.2185 -14.1537 16.1787 -14.1538 9.61419 9.95461 16.1786 9.95463 53.7326 GPRESSAVG: 2082000 -89.1021 -13.6416 15.9984 -15.4846 8.5122 7.93197 16.2261 9.80474 55.0816 TIMING: 2082000 CPU: 6196.91, 0.00297471/step Wall: 6196.91, 0.00297471/step, 2.41117 hours remaining, 204.718750 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: 2082000 748.7568 2077.6249 1935.5385 124.4071 -206194.3208 17555.3411 0.0000 0.0000 34300.7609 -149451.8913 299.5571 -183752.6523 -149364.3177 298.8176 -188.0438 -158.6323 557549.2966 -8.6239 -8.5028 PRESSURE: 2082200 -142.463 -34.0673 -150.895 -34.0684 182.126 -147.931 -150.895 -147.933 7.14083 GPRESSURE: 2082200 -109.185 6.25078 -100.368 -55.3211 226.629 -103.605 -170.032 -159.971 17.0097 PRESSAVG: 2082200 -15.6766 -11.9247 -45.1886 -11.9246 -26.775 50.2723 -45.1886 50.2724 76.0095 GPRESSAVG: 2082200 -15.7609 -9.50561 -43.7023 -12.2663 -25.9444 52.9351 -44.3581 49.6731 75.1218 TIMING: 2082200 CPU: 6197.51, 0.00298433/step Wall: 6197.51, 0.00298433/step, 2.4188 hours remaining, 204.718750 MB of memory in use. ENERGY: 2082200 691.9450 2096.6772 1947.7707 125.5126 -206089.3802 17784.2099 0.0000 0.0000 34020.0564 -149423.2083 297.1056 -183443.2647 -149328.6531 298.4227 15.6013 44.8181 558027.2496 11.1860 11.1388 PRESSURE: 2082400 191.799 -105.162 -83.3713 -105.163 85.1805 -48.1075 -83.3717 -48.1062 -59.5516 GPRESSURE: 2082400 242.529 -155.116 -8.37101 -23.0035 108.617 -103.268 -108.852 35.4127 -39.6785 PRESSAVG: 2082400 74.2897 16.6363 -13.3542 16.6364 29.1355 -28.6301 -13.3543 -28.6302 -46.0427 GPRESSAVG: 2082400 72.7479 14.7058 -14.1035 16.6624 30.1498 -27.9981 -14.1808 -28.9437 -45.3303 TIMING: 2082400 CPU: 6198.11, 0.00297847/step Wall: 6198.11, 0.00297847/step, 2.41389 hours remaining, 204.718750 MB of memory in use. ENERGY: 2082400 734.0690 2118.1696 1940.3406 111.3817 -206559.1468 18171.2641 0.0000 0.0000 34162.1820 -149321.7398 298.3468 -183483.9218 -149223.9893 298.5448 72.4761 103.8222 557806.4395 19.1275 19.1891 PRESSURE: 2082600 -113.048 -33.3076 -80.0424 -33.3065 136.692 -144.079 -80.0432 -144.083 112.323 GPRESSURE: 2082600 -45.6625 -81.5518 -21.7631 -40.7496 162.284 -139.321 -25.8994 -147.206 111.887 PRESSAVG: 2082600 50.2239 -11.7256 11.0846 -11.7256 -7.09135 -16.9067 11.0845 -16.9067 -46.5436 GPRESSAVG: 2082600 50.8261 -12.5412 12.5428 -10.4825 -8.2891 -17.8053 8.3394 -17.3693 -45.4679 TIMING: 2082600 CPU: 6198.7, 0.00296054/step Wall: 6198.7, 0.00296054/step, 2.39919 hours remaining, 204.718750 MB of memory in use. ENERGY: 2082600 737.0408 2059.6938 1956.3840 118.0534 -206601.6069 17827.4069 0.0000 0.0000 34461.3787 -149441.6493 300.9598 -183903.0280 -149339.7346 298.5362 45.3227 76.1695 557260.4202 -1.1370 -0.9769 PRESSURE: 2082800 -39.7333 -34.4157 -72.2047 -34.4156 212.173 -24.6569 -72.2045 -24.6571 306.38 GPRESSURE: 2082800 17.0882 -123.978 21.3912 43.2805 183.878 -67.5241 -51.6595 85.2307 379.455 PRESSAVG: 2082800 -36.5268 -25.1053 7.80121 -25.1052 59.5856 -43.729 7.80131 -43.729 28.1705 GPRESSAVG: 2082800 -35.98 -25.1257 6.52701 -25.3457 60.5985 -44.9493 9.45603 -40.5983 25.9928 TIMING: 2082800 CPU: 6199.3, 0.0029922/step Wall: 6199.3, 0.0029922/step, 2.42468 hours remaining, 204.718750 MB of memory in use. ENERGY: 2082800 686.0739 2106.0422 1928.9069 124.3567 -206698.8677 17966.0487 0.0000 0.0000 34328.9721 -149558.4671 299.8035 -183887.4392 -149463.9447 298.2819 159.6065 193.4736 556135.3308 17.0764 16.8704 PRESSURE: 2083000 -127.36 -168.906 -7.32531 -168.906 28.0793 -59.6313 -7.32454 -59.63 -3.18767 GPRESSURE: 2083000 -67.2352 -93.0506 -6.22913 -195.651 47.3006 -65.4145 -66.9184 -40.5441 21.327 PRESSAVG: 2083000 -24.6199 -33.4604 -4.88142 -33.4604 30.3979 -9.82205 -4.88136 -9.82202 2.23573 GPRESSAVG: 2083000 -23.9859 -35.1922 -6.12057 -31.843 28.4182 -7.89817 -4.12022 -11.9109 4.02173 TIMING: 2083000 CPU: 6199.9, 0.00299641/step Wall: 6199.9, 0.00299641/step, 2.42793 hours remaining, 204.718750 MB of memory in use. ENERGY: 2083000 723.1381 2069.8144 1944.9127 115.0595 -206481.1670 17830.9487 0.0000 0.0000 34289.9588 -149507.3349 299.4627 -183797.2937 -149418.2508 298.4532 -34.1563 0.4641 556884.6313 2.6712 2.8180 PRESSURE: 2083200 -58.5718 -107.241 62.889 -107.241 -69.7193 20.9617 62.889 20.9616 -212.458 GPRESSURE: 2083200 -16.0943 -93.4178 79.1564 -69.4986 -60.9632 -15.0576 -5.17982 20.9214 -165.584 PRESSAVG: 2083200 -20.6217 -35.5536 -0.0874037 -35.5535 36.839 -22.9261 -0.0873677 -22.9262 8.25362 GPRESSAVG: 2083200 -21.645 -31.9482 1.27953 -39.0696 37.3574 -22.3444 -0.58351 -24.4674 8.25668 TIMING: 2083200 CPU: 6200.49, 0.00299026/step Wall: 6200.49, 0.00299026/step, 2.42278 hours remaining, 204.718750 MB of memory in use. ENERGY: 2083200 709.0635 2090.6627 1941.5536 120.5418 -206111.3262 17607.6838 0.0000 0.0000 34035.6503 -149606.1704 297.2418 -183641.8207 -149512.9487 298.1282 -113.5829 -80.8803 557649.0252 8.1570 7.9897 PRESSURE: 2083400 114.946 -89.798 164.031 -89.7977 -72.5618 -69.1747 164.033 -69.1747 -172.077 GPRESSURE: 2083400 155.901 -119.624 133.262 -130.574 -40.2945 -158.81 140.18 -61.4797 -158.187 PRESSAVG: 2083400 20.2183 17.2631 -5.5073 17.2631 36.9496 -55.0334 -5.50713 -55.0333 -32.0577 GPRESSAVG: 2083400 19.6675 15.5103 -4.26485 18.042 37.5472 -56.1206 -4.71211 -54.3458 -32.2931 TIMING: 2083400 CPU: 6201.09, 0.00297489/step Wall: 6201.09, 0.00297489/step, 2.41016 hours remaining, 204.718750 MB of memory in use. ENERGY: 2083400 743.2710 2033.8513 1935.0357 108.7008 -206146.5164 17717.6280 0.0000 0.0000 34137.9321 -149470.0975 298.1351 -183608.0296 -149363.3680 298.5064 -43.2308 -14.1936 558479.1480 8.3701 8.3072 PRESSURE: 2083600 51.2511 30.8612 -95.4108 30.8594 40.9235 -14.0572 -95.41 -14.0575 182.484 GPRESSURE: 2083600 116.278 68.0594 -90.4092 27.4764 44.1323 -90.0498 -134.699 -13.0127 217.432 PRESSAVG: 2083600 93.0337 5.48663 13.7861 5.48657 -30.5314 -51.3695 13.786 -51.3695 -41.7488 GPRESSAVG: 2083600 93.6678 6.00222 12.899 5.35175 -31.1038 -53.2328 12.5445 -49.2401 -41.7245 TIMING: 2083600 CPU: 6201.68, 0.00297231/step Wall: 6201.68, 0.00297231/step, 2.4079 hours remaining, 204.718750 MB of memory in use. ENERGY: 2083600 728.7153 2060.3755 1959.8917 127.6101 -206287.0996 17833.7062 0.0000 0.0000 34311.1898 -149265.6109 299.6482 -183576.8008 -149168.5249 298.4773 91.5529 125.9472 557100.5873 6.9179 6.9465 PRESSURE: 2083800 -171.458 121.236 -0.403581 121.237 -83.4415 -61.2828 -0.404917 -61.2823 207.318 GPRESSURE: 2083800 -116.796 88.587 -5.85149 113.558 -27.3358 -9.87988 -51.6068 -76.1418 201.112 PRESSAVG: 2083800 5.72495 -15.7012 -17.3212 -15.7012 -29.7723 -18.94 -17.3211 -18.9401 54.7921 GPRESSAVG: 2083800 6.05835 -14.7775 -16.4192 -15.365 -29.4119 -17.3176 -18.9039 -19.2447 53.9751 TIMING: 2083800 CPU: 6202.28, 0.00297805/step Wall: 6202.28, 0.00297805/step, 2.41238 hours remaining, 204.718750 MB of memory in use. ENERGY: 2083800 746.2180 2092.4025 1939.2824 119.5513 -206225.3629 17553.1792 0.0000 0.0000 34528.8291 -149245.9005 301.5489 -183774.7296 -149142.5667 299.0252 -15.8605 18.9934 554288.8185 10.2482 10.2072 PRESSURE: 2084000 179.652 24.5458 -54.4823 24.5453 69.4914 -79.2988 -54.4822 -79.2986 276.929 GPRESSURE: 2084000 218.776 13.7458 -60.0639 54.162 133.38 -95.976 -21.9897 -69.0676 275.949 PRESSAVG: 2084000 -16.9739 42.5295 -42.9261 42.5295 -0.590607 31.6631 -42.9261 31.6631 10.8302 GPRESSAVG: 2084000 -17.3755 42.1524 -45.2539 42.7769 -0.438639 30.0037 -41.2828 31.7574 11.5138 TIMING: 2084000 CPU: 6202.87, 0.00295027/step Wall: 6202.87, 0.00295027/step, 2.38972 hours remaining, 204.718750 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: 2084000 747.5342 2088.8924 1950.5645 123.9191 -206548.2608 18060.9876 0.0000 0.0000 34310.3719 -149265.9911 299.6410 -183576.3629 -149168.7177 299.1110 175.3577 209.3685 555758.7077 -2.2448 -2.1001 PRESSURE: 2084200 -48.5305 37.9072 -36.4174 37.9062 -141.993 -83.2338 -36.4169 -83.2329 -35.7011 GPRESSURE: 2084200 20.7039 -0.269468 -77.8908 22.0453 -175.705 -91.0834 -43.1591 -90.1716 27.7326 PRESSAVG: 2084200 -23.8566 13.6652 -48.8339 13.6652 -28.7336 -30.329 -48.8338 -30.3291 38.1996 GPRESSAVG: 2084200 -23.8919 13.1091 -48.6685 13.231 -29.3795 -27.5272 -47.0579 -32.5658 38.7247 TIMING: 2084200 CPU: 6203.46, 0.00296546/step Wall: 6203.46, 0.00296546/step, 2.40186 hours remaining, 204.718750 MB of memory in use. ENERGY: 2084200 763.9194 2072.1273 1936.5274 110.0182 -205958.6289 17572.7265 0.0000 0.0000 34302.8002 -149200.5098 299.5749 -183503.3100 -149104.2392 299.2636 -75.4083 -42.4227 557722.5070 -4.7969 -4.8489 LDB: ============= START OF LOAD BALANCING ============== 6206.89 LDB: ============== END OF LOAD BALANCING =============== 6206.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6206.9 LDB: ============= START OF LOAD BALANCING ============== 6207.2 LDB: Largest compute 4821 load 0.029233 is 24.8% of average load 0.118091 LDB: Average compute 0.001719 is 1.5% of average load 0.118091 LDB: TIME 6207.2 LOAD: AVG 0.118091 MAX 0.200867 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.742 MB LDB: TIME 6207.2 LOAD: AVG 0.118091 MAX 0.200867 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: TIME 6207.2 LOAD: AVG 0.118091 MAX 0.200867 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6207.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6207.2 PRESSURE: 2084400 47.2913 107.576 -35.314 107.576 -234.496 117.354 -35.3138 117.354 -277.182 GPRESSURE: 2084400 79.3995 98.3414 -29.2503 116.546 -260.158 88.4357 12.2886 89.7804 -178.398 PRESSAVG: 2084400 12.869 22.9259 -13.6386 22.9259 -27.2245 -35.6959 -13.6386 -35.696 26.6629 GPRESSAVG: 2084400 12.1722 25.3168 -13.5596 21.0895 -26.431 -37.4456 -13.0474 -32.8982 26.8322 TIMING: 2084400 CPU: 6204.07, 0.00305778/step Wall: 6204.07, 0.00305778/step, 2.47646 hours remaining, 206.000000 MB of memory in use. ENERGY: 2084400 740.6357 2133.6322 1965.2499 124.5888 -206447.8438 17794.5173 0.0000 0.0000 34362.3693 -149326.8506 300.0951 -183689.2199 -149223.8938 299.6899 -154.7957 -119.7191 558918.5821 4.1025 4.1911 PRESSURE: 2084600 -252.452 1.73352 63.3506 1.73201 -11.397 18.4599 63.3507 18.4597 55.9522 GPRESSURE: 2084600 -170.172 -24.5151 84.7721 -3.9966 -24.2062 0.732149 112.647 38.2788 82.3803 PRESSAVG: 2084600 13.3978 -17.2856 57.1821 -17.2856 -30.3984 51.1414 57.182 51.1413 38.8918 GPRESSAVG: 2084600 15.363 -19.5767 57.2732 -15.1191 -30.9594 51.9903 53.3255 50.6704 37.2413 TIMING: 2084600 CPU: 6204.67, 0.00297282/step Wall: 6204.67, 0.00297282/step, 2.40749 hours remaining, 206.199219 MB of memory in use. ENERGY: 2084600 710.2474 2105.0875 1903.5398 106.1762 -206566.3178 17979.5760 0.0000 0.0000 34238.1479 -149523.5429 299.0103 -183761.6908 -149426.9398 298.8060 -69.2991 -37.3326 559714.0799 7.2971 7.2150 PRESSURE: 2084800 -8.22267 -67.6375 130.48 -67.6358 186.022 158.47 130.479 158.471 135.773 GPRESSURE: 2084800 -21.8126 -117.913 107.168 -60.1894 236.612 228.648 120.443 149.175 204.939 PRESSAVG: 2084800 -19.591 -53.3259 7.26011 -53.3259 4.23463 32.5876 7.26016 32.5874 58.258 GPRESSAVG: 2084800 -21.252 -50.1427 7.83048 -53.544 4.59182 31.3483 8.99201 32.1386 59.6943 TIMING: 2084800 CPU: 6205.26, 0.00295874/step Wall: 6205.26, 0.00295875/step, 2.39593 hours remaining, 206.199219 MB of memory in use. ENERGY: 2084800 731.8292 2133.7062 1928.2956 97.7608 -206380.2488 18127.8536 0.0000 0.0000 33955.1186 -149405.6848 296.5385 -183360.8035 -149306.0729 298.4530 104.5240 139.9127 558775.4060 14.3005 14.3447 PRESSURE: 2085000 -44.8197 11.7024 138.006 11.7012 -38.8654 76.6581 138.006 76.6577 28.1679 GPRESSURE: 2085000 -24.021 29.2053 139.647 12.2331 -3.07024 145.139 41.6294 -14.542 59.6709 PRESSAVG: 2085000 -52.3319 -36.0639 36.6444 -36.064 72.8259 25.7783 36.6444 25.7784 14.511 GPRESSAVG: 2085000 -50.4778 -38.3672 37.2351 -35.7094 72.435 27.1968 35.5417 25.6184 12.4364 TIMING: 2085000 CPU: 6205.86, 0.00297703/step Wall: 6205.86, 0.00297703/step, 2.41056 hours remaining, 206.199219 MB of memory in use. ENERGY: 2085000 756.5011 2060.7422 1944.0623 108.2118 -206311.8233 17983.2604 0.0000 0.0000 34142.6408 -149316.4046 298.1762 -183459.0454 -149209.8174 298.2737 -18.5057 10.8599 557822.1352 11.6683 11.4645 PRESSURE: 2085200 -45.153 -56.7793 124.899 -56.7799 -486.168 136.622 124.898 136.621 -81.2271 GPRESSURE: 2085200 -25.5929 -110.171 146.81 10.3164 -437.976 110.843 118.22 104.851 -46.4484 PRESSAVG: 2085200 -42.9862 4.59884 64.438 4.59877 34.5688 35.2385 64.4381 35.2385 40.7387 GPRESSAVG: 2085200 -44.0565 2.43671 62.6838 5.49411 34.211 34.7835 63.5226 35.2637 41.4994 TIMING: 2085200 CPU: 6206.45, 0.00296189/step Wall: 6206.45, 0.00296189/step, 2.39815 hours remaining, 206.199219 MB of memory in use. ENERGY: 2085200 741.4081 2158.9564 1962.6595 114.3554 -206039.9953 17560.6050 0.0000 0.0000 34192.7519 -149309.2591 298.6138 -183502.0110 -149214.9533 299.1645 -204.1829 -170.0058 557265.8785 10.7738 10.5513 PRESSURE: 2085400 10.0623 -29.5792 -32.8822 -29.5793 48.0474 140.479 -32.8825 140.48 166.997 GPRESSURE: 2085400 54.3499 20.0498 -3.08811 -17.1898 98.5138 124.863 -115.075 151.145 162.93 PRESSAVG: 2085400 -16.5847 -11.7188 -26.488 -11.7188 1.94573 -4.53933 -26.488 -4.53915 22.5814 GPRESSAVG: 2085400 -16.766 -9.77762 -25.5824 -13.6769 2.71603 -3.50403 -25.4299 -5.54604 22.3216 TIMING: 2085400 CPU: 6207.04, 0.00298072/step Wall: 6207.04, 0.00298072/step, 2.41322 hours remaining, 206.199219 MB of memory in use. ENERGY: 2085400 775.9032 2117.6174 1926.0941 109.4420 -206808.9539 18153.2283 0.0000 0.0000 34367.6484 -149359.0206 300.1412 -183726.6690 -149268.4593 299.0703 75.0356 105.2645 557602.5970 2.6475 2.7572 PRESSURE: 2085600 -303.375 -96.2757 -126.533 -96.2754 -70.1068 -5.77444 -126.533 -5.7737 -230.661 GPRESSURE: 2085600 -249.955 -79.9393 -77.1246 -31.7189 -99.5135 -6.81701 -55.7177 25.5956 -170.678 PRESSAVG: 2085600 -6.01515 -18.5386 -67.5909 -18.5385 51.3147 21.506 -67.5909 21.5061 -23.4032 GPRESSAVG: 2085600 -6.90787 -18.0205 -67.2572 -19.1393 51.345 20.7393 -66.8807 23.2182 -22.4949 TIMING: 2085600 CPU: 6207.64, 0.00298057/step Wall: 6207.64, 0.00298057/step, 2.41293 hours remaining, 206.199219 MB of memory in use. ENERGY: 2085600 739.8930 2063.0100 1954.1332 115.0821 -205651.7430 17355.8538 0.0000 0.0000 34284.1566 -149139.6143 299.4121 -183423.7709 -149034.2267 299.8439 -201.3808 -173.3820 557163.2546 7.2988 7.3141 PRESSURE: 2085800 -270.891 162.755 -80.2545 162.755 -69.5688 -46.9091 -80.2561 -46.9082 19.7099 GPRESSURE: 2085800 -209.228 94.6112 -20.5852 151.462 -27.8689 -10.412 -1.25881 -94.9103 18.1938 PRESSAVG: 2085800 4.04724 -5.05373 -1.05455 -5.05389 -12.4844 2.60441 -1.05453 2.60443 7.22571 GPRESSAVG: 2085800 4.28303 -5.22792 -2.39408 -2.38135 -10.9783 2.79434 0.346848 1.8627 6.10652 TIMING: 2085800 CPU: 6208.24, 0.00298331/step Wall: 6208.24, 0.00298331/step, 2.41499 hours remaining, 206.199219 MB of memory in use. ENERGY: 2085800 751.7670 2125.9341 1953.1838 111.9700 -205692.1892 17612.4285 0.0000 0.0000 33980.8612 -149156.0446 296.7633 -183136.9058 -149068.6180 299.2561 -106.9166 -72.9676 557057.4010 -0.4038 -0.1962 PRESSURE: 2086000 -75.5086 26.5771 -18.9452 26.5754 -238.535 -124.011 -18.9461 -124.011 -33.9189 GPRESSURE: 2086000 -29.9369 57.411 -9.09631 40.8819 -247.141 -95.8263 -14.7651 -38.1017 15.3602 PRESSAVG: 2086000 -0.0334863 5.89847 26.6625 5.89852 16.7991 -86.3403 26.6625 -86.3402 10.484 GPRESSAVG: 2086000 -0.027796 4.51907 26.2904 5.82965 16.2106 -86.8014 25.1223 -86.6479 10.6976 TIMING: 2086000 CPU: 6208.84, 0.0029931/step Wall: 6208.84, 0.0029931/step, 2.42275 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: 2086000 744.7212 2073.1032 1922.3579 97.9455 -206172.6999 17805.8600 0.0000 0.0000 34319.2857 -149209.4263 299.7189 -183528.7120 -149110.6177 299.6532 -115.9874 -87.2392 557143.5458 9.0832 8.9601 PRESSURE: 2086200 99.7076 3.63637 -9.4653 3.63621 -35.1621 129.032 -9.4655 129.035 -100.29 GPRESSURE: 2086200 143.234 35.3559 -30.8868 -19.5764 -51.1674 125.94 -94.8431 37.76 -48.4942 PRESSAVG: 2086200 24.9566 13.9118 18.0778 13.9117 -18.6208 -64.8117 18.0779 -64.8117 -9.85733 GPRESSAVG: 2086200 25.6713 13.7409 21.6522 13.8032 -19.7696 -65.7742 16.5174 -66.1466 -9.11683 TIMING: 2086200 CPU: 6209.43, 0.00298909/step Wall: 6209.43, 0.00298909/step, 2.41934 hours remaining, 206.199219 MB of memory in use. ENERGY: 2086200 697.5765 2103.0455 1919.0492 109.4440 -206111.4372 17779.9004 0.0000 0.0000 34241.1096 -149261.3120 299.0361 -183502.4216 -149163.1795 299.0247 -11.9149 14.5240 557058.8256 -1.1739 -1.0717 PRESSURE: 2086400 19.9379 49.3348 128.849 49.3364 84.1608 2.68055 128.848 2.68132 -140.641 GPRESSURE: 2086400 42.4172 28.4574 154.649 -26.3609 90.3914 53.8846 136.689 7.83153 -65.0796 PRESSAVG: 2086400 18.3848 5.24366 -10.5137 5.24361 37.9859 26.9354 -10.5137 26.9354 -54.0097 GPRESSAVG: 2086400 17.6921 4.75066 -12.3159 6.19263 38.6682 27.0346 -9.02159 29.0969 -54.3401 TIMING: 2086400 CPU: 6210.03, 0.0029749/step Wall: 6210.03, 0.0029749/step, 2.40768 hours remaining, 206.199219 MB of memory in use. ENERGY: 2086400 734.4571 2118.9892 1910.1886 103.6988 -206170.7440 17873.3702 0.0000 0.0000 34117.3226 -149312.7175 297.9551 -183430.0401 -149215.7907 299.2219 -12.1807 22.5763 558590.2521 0.7870 0.6734 PRESSURE: 2086600 -261.585 -20.035 23.4361 -20.0346 -154.217 69.21 23.4345 69.2104 -4.74386 GPRESSURE: 2086600 -248.735 -49.6571 82.7672 -89.3751 -136.934 -60.4634 19.0171 137.605 49.9609 PRESSAVG: 2086600 2.93426 -63.7182 28.894 -63.7182 43.8672 24.2324 28.8941 24.2324 -31.361 GPRESSAVG: 2086600 1.7378 -62.8247 28.8877 -64.62 44.6503 25.0439 28.4218 23.5082 -31.4637 TIMING: 2086600 CPU: 6210.62, 0.00297259/step Wall: 6210.62, 0.00297259/step, 2.40565 hours remaining, 206.199219 MB of memory in use. ENERGY: 2086600 778.0717 2095.4438 1939.4621 108.1469 -205924.4887 17535.4275 0.0000 0.0000 34195.9789 -149271.9577 298.6420 -183467.9367 -149176.3210 299.0699 -140.1819 -111.9029 557072.4007 5.1468 4.9748 PRESSURE: 2086800 102.242 -54.2499 13.304 -54.2509 -122.547 -150.272 13.3032 -150.271 -250.978 GPRESSURE: 2086800 129.664 -24.6274 -75.6755 -32.2324 -51.8258 -163.489 -4.74009 -5.75087 -245.793 PRESSAVG: 2086800 -12.3625 7.97958 37.2034 7.97955 39.5816 21.4586 37.2036 21.4589 -46.2493 GPRESSAVG: 2086800 -11.0872 8.20645 35.9963 8.28775 38.0241 19.4954 37.3202 23.0442 -46.698 TIMING: 2086800 CPU: 6211.22, 0.00300366/step Wall: 6211.22, 0.00300366/step, 2.43063 hours remaining, 206.199219 MB of memory in use. ENERGY: 2086800 732.8877 2104.2920 1950.2533 105.2937 -206306.2677 17897.5838 0.0000 0.0000 34312.1785 -149203.7787 299.6568 -183515.9572 -149112.2121 299.3801 -90.4273 -55.9849 558491.4619 -6.3434 -6.5870 PRESSURE: 2087000 -88.6594 145.02 25.268 145.019 -296.289 -40.8467 25.2667 -40.8465 -208.123 GPRESSURE: 2087000 -43.4004 173.212 53.3523 183.421 -285.465 -39.5295 -5.37505 -3.13664 -168.467 PRESSAVG: 2087000 6.50707 31.4733 -8.29596 31.4732 -49.3353 -33.9934 -8.29598 -33.9934 44.7181 GPRESSAVG: 2087000 5.07563 34.2802 -10.3129 29.0768 -47.533 -31.4812 -6.12733 -34.8984 44.411 TIMING: 2087000 CPU: 6211.82, 0.00298705/step Wall: 6211.82, 0.00298705/step, 2.41702 hours remaining, 206.199219 MB of memory in use. ENERGY: 2087000 725.2844 2068.2342 1945.0102 116.1617 -205889.0614 17537.6222 0.0000 0.0000 34251.6686 -149245.0801 299.1283 -183496.7487 -149149.5157 299.1262 -197.6905 -165.7774 558458.0586 0.6300 0.6512 PRESSURE: 2087200 79.5442 -85.6148 -46.9941 -85.6147 -48.3052 75.0088 -46.9945 75.0092 41.7105 GPRESSURE: 2087200 118.233 -146.344 -27.6254 -107.603 -14.3378 100.049 -143.632 72.2733 52.2867 PRESSAVG: 2087200 15.4325 -32.8129 -7.50026 -32.813 -4.13359 -47.4759 -7.50018 -47.4758 54.0773 GPRESSAVG: 2087200 16.6295 -35.416 -5.72141 -28.5404 -5.51463 -49.6339 -10.5165 -46.1488 54.2361 TIMING: 2087200 CPU: 6212.41, 0.00296135/step Wall: 6212.41, 0.00296135/step, 2.39606 hours remaining, 206.199219 MB of memory in use. ENERGY: 2087200 737.6155 2084.1749 1931.6382 107.2589 -206304.0200 17789.0341 0.0000 0.0000 34395.2397 -149259.0586 300.3822 -183654.2984 -149167.5389 299.3723 24.3165 52.0608 557387.5514 21.7921 21.7837 PRESSURE: 2087400 -326.479 -6.53625 68.1292 -6.53744 -111.281 234.446 68.1303 234.446 -187.855 GPRESSURE: 2087400 -273.985 30.9539 -8.29334 -54.6687 -67.6157 103.611 97.6008 314.495 -190.18 PRESSAVG: 2087400 -19.8428 -8.59562 -54.569 -8.5956 -28.3994 14.0557 -54.5689 14.0556 40.0367 GPRESSAVG: 2087400 -21.8866 -6.21407 -53.367 -12.917 -27.5712 12.5292 -55.0712 12.6935 41.143 TIMING: 2087400 CPU: 6213.01, 0.00299321/step Wall: 6213.01, 0.00299321/step, 2.42167 hours remaining, 206.199219 MB of memory in use. ENERGY: 2087400 760.2423 2052.4898 1946.8233 120.7535 -205928.9825 17581.8628 0.0000 0.0000 34271.9111 -149194.8999 299.3051 -183466.8109 -149098.2003 298.7809 -208.5383 -177.2600 559538.0678 -2.7352 -2.7716 PRESSURE: 2087600 -103.5 -110.073 65.6725 -110.074 126.311 197.352 65.6731 197.35 113.153 GPRESSURE: 2087600 -27.6909 -171.453 146.26 -80.88 122.676 192.056 68.2299 98.3891 132.575 PRESSAVG: 2087600 -3.59015 17.3257 31.0774 17.3256 30.1542 -7.59738 31.0773 -7.59741 -20.7096 GPRESSAVG: 2087600 -3.17166 17.1809 28.1769 19.2096 31.1971 -5.11097 33.6372 -9.00775 -21.85 TIMING: 2087600 CPU: 6213.6, 0.0029594/step Wall: 6213.6, 0.0029594/step, 2.39415 hours remaining, 206.199219 MB of memory in use. ENERGY: 2087600 737.6903 2116.3955 1930.4236 119.9796 -206640.3949 18067.3960 0.0000 0.0000 34333.1218 -149335.3880 299.8397 -183668.5099 -149233.7410 298.8736 45.3213 75.8533 557890.7235 1.9515 2.0585 PRESSURE: 2087800 -241.668 147.594 -90.7508 147.594 -226.595 -94.6442 -90.7494 -94.6443 -138.919 GPRESSURE: 2087800 -193.997 58.3476 -116.365 165.3 -222.118 -40.9547 -88.8144 -50.7416 -83.3642 PRESSAVG: 2087800 -60.7397 -28.4508 -17.7499 -28.4508 65.3054 -35.9555 -17.7498 -35.9555 -30.607 GPRESSAVG: 2087800 -59.6159 -32.0762 -17.2005 -27.9206 64.157 -37.3671 -18.1044 -32.5209 -31.1362 TIMING: 2087800 CPU: 6214.2, 0.0029892/step Wall: 6214.2, 0.0029892/step, 2.4181 hours remaining, 206.199219 MB of memory in use. ENERGY: 2087800 740.4722 2092.9686 1941.2790 126.7108 -206294.1710 17687.6737 0.0000 0.0000 34182.9058 -149522.1610 298.5278 -183705.0668 -149420.2239 298.7872 -202.3939 -166.4931 558747.4437 -8.6804 -8.8650 PRESSURE: 2088000 -14.4994 7.73022 -35.7766 7.73175 30.0601 25.4547 -35.7766 25.4538 -234.064 GPRESSURE: 2088000 85.1914 106.645 -32.9948 -43.2144 -9.37637 1.13755 -13.346 58.7162 -203.091 PRESSAVG: 2088000 -2.81955 -6.02255 -24.7915 -6.02246 1.80136 -14.8854 -24.7915 -14.8852 -7.63517 GPRESSAVG: 2088000 -2.41232 -4.17966 -25.0896 -7.93597 1.31222 -13.1388 -24.8332 -18.4516 -7.91353 TIMING: 2088000 CPU: 6214.8, 0.00299523/step Wall: 6214.8, 0.00299523/step, 2.42281 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: 2088000 757.3554 2092.8826 1943.1324 132.7081 -206398.4894 17756.0392 0.0000 0.0000 34245.8272 -149470.5445 299.0773 -183716.3717 -149373.6112 298.1592 -72.8346 -42.4255 557491.3675 -2.8845 -3.0045 PRESSURE: 2088200 131.203 -54.5151 160.46 -54.5144 187.484 -61.483 160.462 -61.4825 0.96931 GPRESSURE: 2088200 174.415 -89.4673 101.947 -115.016 182.64 -41.506 179.506 -101.5 63.2826 PRESSAVG: 2088200 -69.2664 -19.4608 -5.73214 -19.4609 26.2121 -33.2923 -5.73216 -33.2924 26.8942 GPRESSAVG: 2088200 -70.6901 -21.5678 -6.53776 -16.7164 26.3899 -33.5472 -5.4318 -31.6311 28.1569 TIMING: 2088200 CPU: 6215.4, 0.00299636/step Wall: 6215.4, 0.00299636/step, 2.42355 hours remaining, 206.199219 MB of memory in use. ENERGY: 2088200 757.5022 2088.5260 1910.9775 118.7668 -206437.9176 17881.3551 0.0000 0.0000 34317.5919 -149363.1981 299.7041 -183680.7899 -149265.5088 298.6166 106.5523 140.1123 555785.0848 -5.3867 -5.3811 LDB: ============= START OF LOAD BALANCING ============== 6218.83 LDB: ============== END OF LOAD BALANCING =============== 6218.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6218.83 LDB: ============= START OF LOAD BALANCING ============== 6219.14 LDB: Largest compute 4821 load 0.027601 is 23.4% of average load 0.118021 LDB: Average compute 0.001714 is 1.5% of average load 0.118021 LDB: TIME 6219.14 LOAD: AVG 0.118021 MAX 0.202356 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 6219.14 LOAD: AVG 0.118021 MAX 0.202356 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: TIME 6219.14 LOAD: AVG 0.118021 MAX 0.202356 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6219.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6219.14 PRESSURE: 2088400 -100.468 -156.434 -23.8778 -156.434 -42.5882 -2.56433 -23.8784 -2.5631 96.821 GPRESSURE: 2088400 -80.9478 -179.374 54.7981 -83.5243 -31.7712 68.477 -4.79815 -37.2668 151.615 PRESSAVG: 2088400 -44.0773 4.11845 -8.999 4.11852 -2.61651 -17.0432 -8.99897 -17.0432 85.2599 GPRESSAVG: 2088400 -45.2332 3.77433 -5.69505 4.17134 -1.448 -17.7545 -9.08984 -16.7585 85.2742 TIMING: 2088400 CPU: 6216.01, 0.00306802/step Wall: 6216.01, 0.00306802/step, 2.48134 hours remaining, 205.230469 MB of memory in use. ENERGY: 2088400 728.5775 2045.8544 1930.0804 110.0674 -206162.7890 17685.0396 0.0000 0.0000 34367.2177 -149295.9520 300.1375 -183663.1697 -149203.0984 298.7901 -15.4116 12.9655 556372.2239 12.8553 12.8643 PRESSURE: 2088600 63.5244 47.061 86.874 47.0611 13.6654 -15.0852 86.8735 -15.0844 154.132 GPRESSURE: 2088600 124.299 157.861 55.5809 59.196 64.9936 6.86995 131.541 -36.7956 147.807 PRESSAVG: 2088600 -7.71805 -63.6935 19.9453 -63.6935 -5.50664 -4.23318 19.9453 -4.2332 8.60325 GPRESSAVG: 2088600 -5.84371 -60.9577 19.0122 -66.2574 -7.26083 -3.64053 18.9011 -5.04609 8.24945 TIMING: 2088600 CPU: 6216.61, 0.00296993/step Wall: 6216.61, 0.00296993/step, 2.40185 hours remaining, 205.230469 MB of memory in use. ENERGY: 2088600 718.5800 2067.2958 1960.6534 102.4629 -206177.0316 17883.9012 0.0000 0.0000 34223.9527 -149220.1857 298.8863 -183444.1383 -149122.5662 299.2778 77.1072 112.3664 556821.2152 -1.5405 -1.6184 PRESSURE: 2088800 2.91386 -35.317 -82.7987 -35.3188 47.3001 65.7581 -82.7991 65.7583 -290.197 GPRESSURE: 2088800 43.0132 4.98819 -110.387 -56.0784 36.4994 -2.2472 -42.4312 103.334 -215.632 PRESSAVG: 2088800 -17.0028 -6.92023 5.35835 -6.92028 12.7957 27.4171 5.35829 27.4172 39.176 GPRESSAVG: 2088800 -18.1697 -8.08835 4.62868 -6.4723 14.0291 26.8829 6.59768 27.1998 38.7789 TIMING: 2088800 CPU: 6217.2, 0.00296922/step Wall: 6217.2, 0.00296922/step, 2.40111 hours remaining, 205.230469 MB of memory in use. ENERGY: 2088800 757.7337 2036.3533 1909.2628 109.5818 -206076.9351 17801.6479 0.0000 0.0000 34307.4086 -149154.9470 299.6151 -183462.3555 -149052.7633 299.1855 -79.9943 -45.3731 557028.6311 11.6563 11.5461 PRESSURE: 2089000 -408.255 -9.81795 -78.8329 -9.81904 -184.474 -20.8508 -78.8319 -20.8525 -41.5797 GPRESSURE: 2089000 -376.526 -76.9033 -140.409 -7.37522 -145.432 30.8702 -48.7391 -48.4054 -14.4885 PRESSAVG: 2089000 15.5914 -4.70828 23.2873 -4.70831 19.1331 -19.9331 23.2873 -19.9331 -25.0143 GPRESSAVG: 2089000 15.1128 -5.77565 23.4201 -2.0909 20.8044 -18.557 24.6161 -19.9091 -26.2501 TIMING: 2089000 CPU: 6217.81, 0.00302193/step Wall: 6217.81, 0.00302192/step, 2.44356 hours remaining, 205.230469 MB of memory in use. ENERGY: 2089000 730.8781 2115.9651 1949.8071 102.8307 -205864.0002 17584.6631 0.0000 0.0000 34229.8028 -149150.0533 298.9374 -183379.8561 -149055.5352 299.2820 -211.4362 -178.8154 558581.6591 3.2368 3.2224 PRESSURE: 2089200 -146.005 -6.04121 -5.32006 -6.04224 -140.452 -39.8854 -5.32026 -39.8864 -229.452 GPRESSURE: 2089200 -103.141 39.6783 36.5798 -23.4578 -118.458 21.076 47.0262 -86.0212 -203.007 PRESSAVG: 2089200 17.9351 17.0009 7.89321 17.0008 -88.882 21.2714 7.89315 21.2714 9.26908 GPRESSAVG: 2089200 18.0456 19.3207 8.90336 15.4114 -89.4732 18.9208 5.70247 21.3923 10.2801 TIMING: 2089200 CPU: 6218.41, 0.00301329/step Wall: 6218.41, 0.00301329/step, 2.43641 hours remaining, 205.230469 MB of memory in use. ENERGY: 2089200 750.8557 2096.7837 1933.2962 113.9801 -205970.7348 17705.4998 0.0000 0.0000 34306.6963 -149063.6230 299.6089 -183370.3193 -148966.3310 299.3907 -171.9695 -141.5354 558591.2184 -20.5593 -20.3825 PRESSURE: 2089400 93.875 131 -59.4276 131 -112.175 28.1465 -59.4285 28.1463 -4.91986 GPRESSURE: 2089400 137.907 101.383 -72.4621 109.369 -106.624 90.5553 -38.1858 -39.769 29.8193 PRESSAVG: 2089400 43.3533 15.2766 -45.5665 15.2766 -37.5899 32.1833 -45.5665 32.1834 3.31783 GPRESSAVG: 2089400 44.039 14.3774 -45.9124 15.4967 -37.8366 33.8737 -45.9629 33.1067 3.06362 TIMING: 2089400 CPU: 6219.01, 0.00299409/step Wall: 6219.01, 0.00299409/step, 2.42072 hours remaining, 205.230469 MB of memory in use. ENERGY: 2089400 768.9970 2098.7625 1954.2653 113.2625 -206481.4422 17914.2489 0.0000 0.0000 34439.3671 -149192.5388 300.7676 -183631.9059 -149094.6010 299.5523 -7.7399 20.3675 556974.5516 3.0271 3.0887 PRESSURE: 2089600 -17.038 60.4261 0.564197 60.4266 -182.302 80.2421 0.564849 80.2418 -93.0967 GPRESSURE: 2089600 34.3866 63.4665 -62.8605 103.328 -198.327 147.498 -31.9347 20.4244 -48.188 PRESSAVG: 2089600 26.7653 -14.6755 -19.195 -14.6755 -114.443 59.2821 -19.195 59.2821 46.6509 GPRESSAVG: 2089600 27.2779 -13.7457 -18.4373 -15.6714 -116.336 59.5749 -19.4628 56.8061 47.9272 TIMING: 2089600 CPU: 6219.61, 0.0030271/step Wall: 6219.61, 0.0030271/step, 2.44724 hours remaining, 205.230469 MB of memory in use. ENERGY: 2089600 794.2563 2121.6222 1933.4718 103.2101 -206348.1358 17717.4802 0.0000 0.0000 34329.8143 -149348.2809 299.8108 -183678.0952 -149255.0027 300.0901 -97.4788 -70.7095 557123.7661 -13.6756 -13.7105 PRESSURE: 2089800 23.2464 -109.944 -28.6664 -109.944 -112.291 -59.296 -28.6647 -59.2967 60.2008 GPRESSURE: 2089800 75.1802 -140.909 -114.576 -33.4242 -36.0586 -19.2119 -5.38467 -86.8643 21.2205 PRESSAVG: 2089800 56.3878 -26.0493 -24.1707 -26.0493 -47.5636 -3.7123 -24.1708 -3.71234 1.58984 GPRESSAVG: 2089800 56.8877 -27.9847 -25.0896 -25.4467 -46.9106 -5.32117 -23.388 -2.32746 0.577766 TIMING: 2089800 CPU: 6220.21, 0.0030053/step Wall: 6220.21, 0.0030053/step, 2.42945 hours remaining, 205.230469 MB of memory in use. ENERGY: 2089800 727.6465 2101.0193 1955.7896 116.6225 -206273.9839 17932.7312 0.0000 0.0000 34148.8993 -149291.2755 298.2308 -183440.1747 -149197.3767 298.9116 -9.6145 20.1140 557620.1165 3.4713 3.5183 PRESSURE: 2090000 -86.2541 46.5574 -0.768142 46.5572 -12.5593 76.1571 -0.766586 76.1564 -296.438 GPRESSURE: 2090000 -74.4423 125.332 16.851 70.8426 51.2393 68.2442 128.064 2.98888 -277.14 PRESSAVG: 2090000 28.0344 17.2601 -28.8567 17.26 -52.8804 50.4247 -28.8568 50.4248 55.087 GPRESSAVG: 2090000 26.9142 18.6146 -27.5202 17.9836 -53.0437 52.5905 -28.1787 49.3723 56.4793 TIMING: 2090000 CPU: 6220.82, 0.00301805/step Wall: 6220.82, 0.00301805/step, 2.43959 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: 2090000 751.8452 2112.4300 1963.6855 103.3751 -206087.0305 17705.6973 0.0000 0.0000 34072.4565 -149377.5408 297.5632 -183449.9973 -149282.1765 298.0654 -131.7505 -100.1144 558191.1919 10.0803 10.1166 PRESSURE: 2090200 -15.3689 75.7162 -84.772 75.7178 90.8371 -95.1678 -84.7713 -95.1675 185.65 GPRESSURE: 2090200 42.2203 78.6219 -96.8706 32.3139 85.1863 -109.75 -146.201 -67.9342 232.52 PRESSAVG: 2090200 1.70399 12.4338 -17.5226 12.4339 -43.4932 32.8752 -17.5226 32.8751 80.0857 GPRESSAVG: 2090200 3.44347 10.7057 -20.4035 13.0017 -44.9778 31.6635 -18.9936 32.0544 79.7108 TIMING: 2090200 CPU: 6221.41, 0.00297558/step Wall: 6221.41, 0.00297558/step, 2.4051 hours remaining, 205.230469 MB of memory in use. ENERGY: 2090200 739.2162 2074.0698 1938.7210 99.5500 -206603.1709 18119.3417 0.0000 0.0000 34235.9188 -149396.3534 298.9908 -183632.2722 -149300.4196 299.4280 87.0394 119.9757 556663.4635 12.7655 12.7255 PRESSURE: 2090400 -195.038 55.4051 -69.4146 55.4038 -52.5771 92.6401 -69.4141 92.6406 -3.78058 GPRESSURE: 2090400 -132.607 54.1747 -5.27558 90.8895 -36.1746 -27.0024 -102.831 92.9319 27.452 PRESSAVG: 2090400 23.7486 57.9961 24.0272 57.9961 -34.2672 -8.58176 24.0272 -8.58168 22.2252 GPRESSAVG: 2090400 22.6795 57.5266 27.125 58.0498 -32.7438 -8.33233 25.4658 -6.62989 21.7019 TIMING: 2090400 CPU: 6222.02, 0.00301218/step Wall: 6222.02, 0.00301218/step, 2.43451 hours remaining, 205.230469 MB of memory in use. ENERGY: 2090400 779.2915 2077.9922 1968.3065 110.5365 -206009.4909 17625.7899 0.0000 0.0000 34193.0781 -149254.4962 298.6167 -183447.5742 -149147.6241 298.6300 -83.7984 -47.1099 556719.1650 3.9022 3.8792 PRESSURE: 2090600 15.0382 -158.608 71.2348 -158.608 -34.5678 -3.1292 71.2357 -3.12848 4.91025 GPRESSURE: 2090600 30.2126 -228.845 106.666 -46.0078 41.2509 -101.893 64.5153 81.2077 13.0083 PRESSAVG: 2090600 -35.8974 25.3943 -8.78851 25.3943 54.6657 20.0056 -8.78859 20.0056 -4.09711 GPRESSAVG: 2090600 -35.9348 23.7751 -10.8282 25.2009 54.0822 18.1499 -9.23864 22.1479 -4.01624 TIMING: 2090600 CPU: 6222.62, 0.00300118/step Wall: 6222.62, 0.00300118/step, 2.42546 hours remaining, 205.230469 MB of memory in use. ENERGY: 2090600 716.3832 2056.3988 1931.4280 94.7831 -206314.2572 17813.1578 0.0000 0.0000 34407.5505 -149294.5557 300.4897 -183702.1063 -149188.1317 298.9855 -4.8731 28.1572 557094.7093 4.8904 4.7104 PRESSURE: 2090800 -129.85 10.9809 42.4054 10.9811 -96.4491 30.7229 42.4046 30.7237 -143.692 GPRESSURE: 2090800 -87.3967 -36.2633 103.202 -51.3959 -77.8034 -12.4521 -51.3608 56.5953 -110.023 PRESSAVG: 2090800 -40.2077 -21.7813 42.0578 -21.7813 -39.949 -38.7315 42.0578 -38.7315 77.6305 GPRESSAVG: 2090800 -40.2882 -19.9183 42.1071 -23.52 -38.4321 -37.1192 41.2895 -39.3412 76.2485 TIMING: 2090800 CPU: 6223.21, 0.00298159/step Wall: 6223.21, 0.00298159/step, 2.40945 hours remaining, 205.230469 MB of memory in use. ENERGY: 2090800 727.9065 2070.1827 1965.6209 118.9593 -206011.9832 17585.2491 0.0000 0.0000 34291.6598 -149252.4050 299.4776 -183544.0648 -149153.3475 299.4306 -123.3304 -91.7410 557165.7481 -0.8420 -0.8239 PRESSURE: 2091000 -182.04 -17.3522 112.851 -17.3519 83.2521 -31.9291 112.851 -31.929 149.42 GPRESSURE: 2091000 -149.435 34.7316 128.774 -11.0474 120.004 63.538 140.348 -7.41202 163.299 PRESSAVG: 2091000 -40.9735 -18.1922 -5.45997 -18.1921 6.92856 41.4433 -5.45994 41.4433 61.1277 GPRESSAVG: 2091000 -41.4127 -17.6321 -3.53237 -16.519 6.19371 42.004 -4.831 40.1207 61.5148 TIMING: 2091000 CPU: 6223.82, 0.00301551/step Wall: 6223.82, 0.00301551/step, 2.4367 hours remaining, 205.230469 MB of memory in use. ENERGY: 2091000 734.0617 2093.8843 1913.6480 122.3212 -206131.4478 17789.8378 0.0000 0.0000 34250.5550 -149227.1398 299.1186 -183477.6947 -149131.3877 298.6622 16.8774 44.6225 556900.1159 9.0276 8.7653 PRESSURE: 2091200 -99.5883 -33.7133 -74.4157 -33.7139 -96.9113 116.095 -74.4154 116.095 -84.2207 GPRESSURE: 2091200 -137.38 0.507098 -55.659 -104.984 -39.2054 158.109 -105.887 241.637 -14.9786 PRESSAVG: 2091200 -8.29131 -2.07149 10.7759 -2.07148 26.287 14.299 10.7759 14.2989 -1.77026 GPRESSAVG: 2091200 -7.22526 -2.25555 10.1274 -2.51453 25.3067 12.9167 12.8131 15.8425 -1.13397 TIMING: 2091200 CPU: 6224.42, 0.00300777/step Wall: 6224.42, 0.00300777/step, 2.43028 hours remaining, 205.230469 MB of memory in use. ENERGY: 2091200 773.9742 2043.2779 1960.2644 106.2718 -206137.9246 17694.2947 0.0000 0.0000 34390.3542 -149169.4874 300.3395 -183559.8415 -149072.3157 299.4612 -93.5734 -63.8546 556600.0972 5.4085 5.6492 PRESSURE: 2091400 369.734 -127.177 104.45 -127.176 235.565 121.176 104.451 121.175 -215.523 GPRESSURE: 2091400 354.202 -99.3412 78.5109 -166.648 327.13 170.92 11.4746 99.0137 -187.625 PRESSAVG: 2091400 50.0476 -2.50057 -13.2637 -2.50047 -34.5733 21.3635 -13.2637 21.3635 -33.599 GPRESSAVG: 2091400 49.9855 -3.17791 -15.7054 -2.2947 -32.4877 22.3474 -14.5321 18.5447 -34.7633 TIMING: 2091400 CPU: 6225.02, 0.00299213/step Wall: 6225.02, 0.00299213/step, 2.41747 hours remaining, 205.230469 MB of memory in use. ENERGY: 2091400 712.0525 2017.9605 1990.0979 116.3052 -206255.7358 17998.5065 0.0000 0.0000 34366.1882 -149054.6250 300.1285 -183420.8132 -148963.7206 299.8458 129.9250 164.5688 556439.8333 -6.0415 -5.7551 PRESSURE: 2091600 -59.9593 47.7471 58.8265 47.747 301.779 9.89879 58.8267 9.89978 70.9869 GPRESSURE: 2091600 -27.4155 15.5309 24.0482 15.8939 334.821 66.2429 37.6343 5.87793 112.603 PRESSAVG: 2091600 34.1139 30.0359 3.39729 30.0359 9.71976 34.3312 3.39727 34.3313 -35.4151 GPRESSAVG: 2091600 35.0419 30.4489 3.27115 30.3699 8.38205 34.1617 3.58812 35.8444 -34.7241 TIMING: 2091600 CPU: 6225.61, 0.00298334/step Wall: 6225.61, 0.00298334/step, 2.41021 hours remaining, 205.230469 MB of memory in use. ENERGY: 2091600 719.0296 2100.4196 1926.9922 101.3232 -206215.4834 17982.3297 0.0000 0.0000 34196.1385 -149189.2505 298.6434 -183385.3890 -149100.8742 299.5927 104.2690 140.0029 555948.9106 2.8062 2.8999 PRESSURE: 2091800 107.243 28.7987 -129.228 28.7991 107.283 -170.999 -129.228 -170.999 -88.3624 GPRESSURE: 2091800 135.345 73.8888 -91.6837 81.946 179.279 -135.922 -195.895 -190.912 -80.1419 PRESSAVG: 2091800 15.3268 62.5544 6.92801 62.5544 19.3771 36.657 6.92809 36.657 -34.7124 GPRESSAVG: 2091800 14.2279 63.5516 8.28237 63.0728 20.5063 36.249 6.94152 37.2169 -34.7387 TIMING: 2091800 CPU: 6226.21, 0.00300693/step Wall: 6226.21, 0.00300693/step, 2.4291 hours remaining, 205.230469 MB of memory in use. ENERGY: 2091800 731.8094 2085.0322 1905.8909 103.1978 -206298.4754 17833.2486 0.0000 0.0000 34282.9846 -149356.3119 299.4018 -183639.2964 -149251.2801 299.4380 42.0544 78.1605 557048.1876 -0.0028 -0.0015 PRESSURE: 2092000 -95.775 25.6805 53.7439 25.6799 -6.38934 59.1783 53.7434 59.1785 -110.3 GPRESSURE: 2092000 -72.1536 1.8286 74.2193 54.031 39.1034 -7.45881 67.1292 100.632 -84.261 PRESSAVG: 2092000 42.5459 -6.66451 -1.79121 -6.66452 30.5499 13.1952 -1.79112 13.1952 -33.4304 GPRESSAVG: 2092000 42.2511 -7.79675 -1.16947 -7.14129 31.1007 13.9215 -0.95089 12.3953 -33.6969 TIMING: 2092000 CPU: 6226.81, 0.00299733/step Wall: 6226.81, 0.00299733/step, 2.42118 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: 2092000 734.8466 2113.2659 1957.7457 103.0380 -206300.1750 17686.3977 0.0000 0.0000 34344.6364 -149360.2448 299.9403 -183704.8812 -149257.5982 299.4106 -70.8214 -39.1037 556210.6567 13.2218 13.2183 PRESSURE: 2092200 -200.36 211.386 111.827 211.387 -354.113 -123.772 111.827 -123.773 -213.77 GPRESSURE: 2092200 -164.849 255.708 78.1236 99.8219 -264.271 -122.713 220.201 -200.627 -261.798 PRESSAVG: 2092200 50.0826 20.5357 37.2482 20.5358 -25.5705 -30.214 37.2482 -30.2142 -35.0632 GPRESSAVG: 2092200 51.0094 21.2726 38.5474 18.2559 -26.7106 -29.2876 35.7181 -30.434 -35.341 TIMING: 2092200 CPU: 6227.42, 0.00302057/step Wall: 6227.42, 0.00302057/step, 2.43978 hours remaining, 205.230469 MB of memory in use. ENERGY: 2092200 742.3820 2134.6535 1938.2560 108.3477 -206242.8368 17512.9308 0.0000 0.0000 34564.4155 -149241.8513 301.8596 -183806.2668 -149149.5850 299.1459 -256.0811 -230.3058 556848.2105 -3.5171 -3.6808 LDB: ============= START OF LOAD BALANCING ============== 6230.85 LDB: ============== END OF LOAD BALANCING =============== 6230.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6230.85 LDB: ============= START OF LOAD BALANCING ============== 6231.15 LDB: Largest compute 4821 load 0.026656 is 22.6% of average load 0.117988 LDB: Average compute 0.001713 is 1.5% of average load 0.117988 LDB: TIME 6231.16 LOAD: AVG 0.117988 MAX 0.200771 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.262 MB LDB: TIME 6231.16 LOAD: AVG 0.117988 MAX 0.200771 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.266 MB LDB: TIME 6231.16 LOAD: AVG 0.117988 MAX 0.200771 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.266 MB LDB: ============== END OF LOAD BALANCING =============== 6231.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6231.16 PRESSURE: 2092400 -8.43821 -59.4283 -6.69264 -59.4292 -81.9058 -19.7304 -6.69303 -19.7292 -65.5135 GPRESSURE: 2092400 67.1721 -44.0959 18.0949 -9.42163 -90.3369 54.2885 7.39598 12.9898 -32.2266 PRESSAVG: 2092400 83.906 -17.4716 62.9239 -17.4716 -32.2466 -8.12777 62.9239 -8.12776 -46.2255 GPRESSAVG: 2092400 83.8762 -18.3915 61.2271 -14.5594 -32.1582 -10.3093 62.0099 -7.4636 -46.0908 TIMING: 2092400 CPU: 6228.03, 0.00307975/step Wall: 6228.03, 0.00307975/step, 2.48741 hours remaining, 206.781250 MB of memory in use. ENERGY: 2092400 740.2786 2104.8759 1936.7627 114.0003 -206572.3073 17810.1646 0.0000 0.0000 34373.7690 -149492.4562 300.1947 -183866.2252 -149397.8650 299.1015 -51.9525 -18.4638 555864.1141 1.8113 1.8757 PRESSURE: 2092600 134.802 99.7998 -72.6756 99.8001 134.515 12.7902 -72.6751 12.7881 -74.8248 GPRESSURE: 2092600 81.1579 123.014 -124.303 118.537 170.823 72.388 -35.4714 52.0079 25.9832 PRESSAVG: 2092600 106.9 13.6748 6.43404 13.6749 -15.2999 -6.53242 6.43408 -6.53246 -77.0842 GPRESSAVG: 2092600 107.476 15.3137 6.93608 12.142 -16.41 -2.89049 7.49405 -9.92464 -77.291 TIMING: 2092600 CPU: 6228.63, 0.00299949/step Wall: 6228.63, 0.00299949/step, 2.42242 hours remaining, 206.781250 MB of memory in use. ENERGY: 2092600 779.2437 2094.4312 1947.2412 104.8692 -206303.7545 17804.4917 0.0000 0.0000 34173.9078 -149399.5696 298.4492 -183573.4775 -149303.4731 298.4840 64.8310 92.6547 555459.8172 4.8388 4.5916 PRESSURE: 2092800 -152.95 -233.593 -15.9713 -233.593 -73.4487 -2.42716 -15.9704 -2.42693 -146.751 GPRESSURE: 2092800 -131.493 -143.432 -97.4714 -194.44 -9.53879 20.7765 -10.8067 -44.7507 -140.177 PRESSAVG: 2092800 24.7729 -13.2325 35.7187 -13.2326 -19.0532 -23.332 35.7187 -23.332 7.71057 GPRESSAVG: 2092800 25.6091 -13.8084 36.6281 -13.6542 -19.7044 -25.873 36.8294 -21.2507 7.2958 TIMING: 2092800 CPU: 6229.23, 0.00300775/step Wall: 6229.23, 0.00300775/step, 2.42892 hours remaining, 206.781250 MB of memory in use. ENERGY: 2092800 736.7611 2078.5165 1966.2639 111.4632 -206194.8487 17691.5180 0.0000 0.0000 34212.9146 -149397.4114 298.7899 -183610.3261 -149305.2586 299.3382 -124.3835 -93.7364 556984.6742 4.4768 4.4002 PRESSURE: 2093000 103.538 -16.1115 -135.659 -16.1112 260.992 -88.8103 -135.66 -88.8112 0.930837 GPRESSURE: 2093000 99.8969 -56.0764 -159.712 -30.2903 323.262 -59.8255 -38.2301 -52.2261 49.9753 PRESSAVG: 2093000 6.42213 -12.7936 11.619 -12.7937 33.1593 -21.5495 11.619 -21.5496 3.5672 GPRESSAVG: 2093000 5.05631 -13.0347 8.11585 -13.5701 35.4557 -22.1366 14.1878 -20.5064 2.98167 TIMING: 2093000 CPU: 6229.84, 0.00301164/step Wall: 6229.84, 0.00301164/step, 2.4319 hours remaining, 206.781250 MB of memory in use. ENERGY: 2093000 747.3850 2075.2895 1955.9149 105.5613 -206577.1943 18067.0936 0.0000 0.0000 34263.1209 -149362.8290 299.2284 -183625.9500 -149265.1184 299.2235 121.8201 157.7113 556586.5966 14.3829 14.4979 PRESSURE: 2093200 -190.064 -174.543 38.143 -174.544 -14.634 99.5215 38.1431 99.5209 -202.807 GPRESSURE: 2093200 -101.545 -212.797 -26.8007 -77.4662 -44.679 133.425 90.9399 105.626 -173.838 PRESSAVG: 2093200 -28.7825 -7.04384 -23.8227 -7.04381 25.9826 14.2747 -23.8227 14.2748 -11.2579 GPRESSAVG: 2093200 -29.2655 -7.4749 -20.8188 -6.35788 25.4441 15.1342 -27.0023 14.1831 -10.5483 TIMING: 2093200 CPU: 6230.44, 0.00302422/step Wall: 6230.44, 0.00302422/step, 2.44189 hours remaining, 206.781250 MB of memory in use. ENERGY: 2093200 786.6362 2062.0002 1959.1151 100.8762 -206165.5567 17745.5434 0.0000 0.0000 34163.0348 -149348.3508 298.3543 -183511.3856 -149249.2045 298.5329 -135.8350 -106.6872 557308.3852 -4.6859 -4.7899 PRESSURE: 2093400 170.997 -28.3688 -79.5243 -28.3691 -8.65088 85.0209 -79.5232 85.0205 -221.316 GPRESSURE: 2093400 199.471 3.87788 -119.101 25.9314 30.4164 135.788 -134.952 120.607 -201.975 PRESSAVG: 2093400 14.4666 3.95226 26.5566 3.95225 26.8585 -85.4364 26.5567 -85.4364 -45.2948 GPRESSAVG: 2093400 15.2221 3.37409 24.7386 5.56038 27.2171 -84.8845 28.2777 -86.012 -45.7823 TIMING: 2093400 CPU: 6231.04, 0.00297251/step Wall: 6231.04, 0.0029725/step, 2.39997 hours remaining, 206.781250 MB of memory in use. ENERGY: 2093400 716.9117 2054.0839 1947.2172 115.0092 -206019.2631 17638.2578 0.0000 0.0000 34333.3271 -149214.4561 299.8415 -183547.7833 -149116.3962 299.1190 -19.6564 9.3040 557299.7833 -1.3233 -1.1144 PRESSURE: 2093600 -179.223 -180.404 86.2509 -180.403 -262.164 -41.9614 86.2523 -41.9629 -52.1006 GPRESSURE: 2093600 -140.432 -78.0492 55.0618 -146.22 -289.843 -53.1156 152.787 -122.964 22.1421 PRESSAVG: 2093600 -5.26432 -34.5541 23.5841 -34.554 -17.1498 -43.9572 23.5843 -43.9573 21.2814 GPRESSAVG: 2093600 -5.84086 -34.1559 25.7886 -33.981 -18.0102 -44.65 24.3518 -44.0266 22.3977 TIMING: 2093600 CPU: 6231.63, 0.00294607/step Wall: 6231.63, 0.00294607/step, 2.37846 hours remaining, 206.781250 MB of memory in use. ENERGY: 2093600 778.6124 2136.0263 1962.4878 110.0980 -206256.9176 17554.0169 0.0000 0.0000 34441.6587 -149274.0176 300.7876 -183715.6762 -149184.1042 299.8784 -164.4957 -136.0441 556577.6457 -0.3776 -0.4844 PRESSURE: 2093800 -46.4639 -115.599 5.44682 -115.597 219.117 -107.79 5.4471 -107.79 252.783 GPRESSURE: 2093800 -65.6906 -143.294 -35.7245 10.7919 303.283 -27.5985 -7.97727 -43.249 280.679 PRESSAVG: 2093800 -13.9729 -11.472 52.4571 -11.472 -46.2869 -30.7319 52.4572 -30.7318 80.2112 GPRESSAVG: 2093800 -16.3635 -13.4695 50.8866 -10.799 -44.0609 -29.6861 52.4527 -31.6634 80.5569 TIMING: 2093800 CPU: 6232.22, 0.00295084/step Wall: 6232.22, 0.00295084/step, 2.38215 hours remaining, 206.781250 MB of memory in use. ENERGY: 2093800 748.5511 2065.2001 1938.9242 100.9920 -206130.2470 17891.4631 0.0000 0.0000 34173.7942 -149211.3223 298.4482 -183385.1165 -149116.3443 299.5532 141.8120 172.7574 556852.4636 6.6505 6.7108 PRESSURE: 2094000 -181.242 -170.242 -41.1693 -170.245 -55.987 -36.036 -41.1706 -36.0354 -97.878 GPRESSURE: 2094000 -150.714 -207.487 -54.9918 -93.2328 -58.6256 -81.4955 -44.3986 98.7513 -36.3499 PRESSAVG: 2094000 -19.7462 28.9709 2.03164 28.9708 12.5684 -17.234 2.03157 -17.2341 44.6675 GPRESSAVG: 2094000 -16.6593 32.1577 3.18287 27.4999 10.6205 -18.1531 -0.249012 -16.8071 43.9142 TIMING: 2094000 CPU: 6232.81, 0.00297941/step Wall: 6232.81, 0.00297941/step, 2.40504 hours remaining, 206.781250 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: 2094000 749.8579 2113.6347 1948.0224 110.9091 -205998.1389 17591.7293 0.0000 0.0000 34222.7572 -149261.2283 298.8759 -183483.9855 -149160.8324 299.4341 -111.7022 -81.8965 558733.3022 12.4966 12.6251 PRESSURE: 2094200 32.2769 67.4162 60.5858 67.4157 172.388 -67.0543 60.5867 -67.0547 153.474 GPRESSURE: 2094200 88.5542 19.0927 -11.7766 140.202 232.769 -52.8367 130.626 -119.698 146.254 PRESSAVG: 2094200 -2.04891 43.6427 -41.3276 43.6427 -1.77978 -79.3097 -41.3276 -79.3097 6.63038 GPRESSAVG: 2094200 -2.81236 41.1033 -42.2441 43.6281 -2.02191 -77.9354 -38.9573 -79.4967 7.26213 TIMING: 2094200 CPU: 6233.41, 0.00301791/step Wall: 6233.41, 0.00301791/step, 2.43596 hours remaining, 206.781250 MB of memory in use. ENERGY: 2094200 744.6294 2077.4924 1951.8885 105.6011 -206285.7378 17836.4963 0.0000 0.0000 34152.4367 -149417.1933 298.2617 -183569.6300 -149330.2286 298.8173 119.3795 155.8591 556293.3340 0.9339 0.8093 PRESSURE: 2094400 -61.8572 -73.5195 84.5083 -73.5203 20.4946 -80.8566 84.5091 -80.8559 44.6473 GPRESSURE: 2094400 -3.67713 -84.0864 62.3117 -29.9779 41.6284 -99.3104 -11.0667 -84.7346 58.9602 PRESSAVG: 2094400 -42.6588 -6.81073 -1.95655 -6.81071 -47.001 -56.6699 -1.95651 -56.6699 73.8356 GPRESSAVG: 2094400 -43.4086 -4.1895 -2.63237 -7.18966 -47.4656 -58.2924 -2.65203 -56.8438 74.4286 TIMING: 2094400 CPU: 6234.01, 0.00300046/step Wall: 6234.01, 0.00300046/step, 2.4217 hours remaining, 206.781250 MB of memory in use. ENERGY: 2094400 749.5345 2103.4819 1969.2141 113.5615 -206381.9284 17870.0864 0.0000 0.0000 34328.2364 -149247.8137 299.7970 -183576.0501 -149153.7161 298.9892 1.0949 32.3038 557297.9301 -5.2748 -5.4818 PRESSURE: 2094600 17.3297 68.8705 -13.2634 68.8698 -111.908 80.1103 -13.2626 80.1094 -181.207 GPRESSURE: 2094600 25.245 100.075 -46.1948 55.4556 -60.6853 95.6779 -39.4584 26.7853 -148.959 PRESSAVG: 2094600 89.904 18.8383 3.92801 18.8383 -16.2156 -22.871 3.92801 -22.871 -62.2115 GPRESSAVG: 2094600 90.397 19.5059 5.65516 19.3387 -14.8388 -20.8611 1.82198 -23.5925 -63.8248 TIMING: 2094600 CPU: 6234.62, 0.00301668/step Wall: 6234.62, 0.00301668/step, 2.43462 hours remaining, 206.781250 MB of memory in use. ENERGY: 2094600 725.7972 2136.1804 1936.5804 104.8163 -206314.7124 17740.4745 0.0000 0.0000 34374.2388 -149296.6250 300.1988 -183670.8638 -149199.0013 299.0059 -91.9283 -61.4664 558118.1487 3.8256 3.9112 PRESSURE: 2094800 136.597 1.0069 222.96 1.00633 -104.542 84.2413 222.96 84.2419 148.834 GPRESSURE: 2094800 196.162 -12.9646 227.876 -43.5537 -56.2258 89.825 199.854 170.034 141.474 PRESSAVG: 2094800 88.1805 27.8573 22.9493 27.8573 -56.8836 -48.6168 22.9493 -48.6168 -21.0408 GPRESSAVG: 2094800 88.5438 26.0705 23.2307 26.8447 -56.841 -49.1394 21.8371 -47.1701 -20.9904 TIMING: 2094800 CPU: 6235.22, 0.00300546/step Wall: 6235.22, 0.00300546/step, 2.4254 hours remaining, 206.781250 MB of memory in use. ENERGY: 2094800 702.9651 2114.2968 1953.5276 118.8103 -206148.9079 17819.6844 0.0000 0.0000 34163.4140 -149276.2096 298.3576 -183439.6236 -149183.9784 299.1190 60.2961 93.8032 556706.5534 3.4187 3.5708 PRESSURE: 2095000 47.4331 8.77292 -147.439 8.77372 -133.48 23.0309 -147.441 23.0312 -346.506 GPRESSURE: 2095000 78.5327 9.49539 -137.749 -23.8256 -95.9954 47.1574 -151.412 -67.3479 -327.605 PRESSAVG: 2095000 132.643 76.7227 12.274 76.7226 -106.569 -28.9265 12.2741 -28.9266 -45.619 GPRESSAVG: 2095000 131.258 77.4043 10.2908 76.5284 -106.839 -29.4154 15.2618 -30.1802 -44.3573 TIMING: 2095000 CPU: 6235.82, 0.00300167/step Wall: 6235.82, 0.00300167/step, 2.42218 hours remaining, 206.781250 MB of memory in use. ENERGY: 2095000 766.7331 2106.7018 1958.2267 105.5885 -206188.3269 17513.3837 0.0000 0.0000 34476.2875 -149261.4056 301.0900 -183737.6930 -149168.0071 298.7671 -144.1844 -115.0227 557089.8361 -6.5151 -6.6461 PRESSURE: 2095200 -63.4679 -162.763 121.943 -162.764 74.1061 129.604 121.943 129.603 289.599 GPRESSURE: 2095200 -3.35829 -187.993 165.301 -132.058 87.5946 104.904 117.425 143.846 305.962 PRESSAVG: 2095200 56.3266 68.3413 39.5209 68.3413 -32.8507 -68.2862 39.521 -68.2862 -5.0381 GPRESSAVG: 2095200 58.1234 66.3462 41.3491 68.7573 -32.6042 -69.8025 39.1507 -65.9255 -7.29657 TIMING: 2095200 CPU: 6236.42, 0.00298782/step Wall: 6236.42, 0.00298782/step, 2.41084 hours remaining, 206.781250 MB of memory in use. ENERGY: 2095200 729.9376 2071.1752 1947.0423 111.9961 -206563.9750 18091.9515 0.0000 0.0000 34413.7563 -149198.1159 300.5439 -183611.8722 -149100.6657 299.7151 100.0789 130.0660 557561.4943 6.1460 6.0742 PRESSURE: 2095400 -113.281 -2.29693 61.3227 -2.29675 -113.243 -131.715 61.3221 -131.714 -77.0998 GPRESSURE: 2095400 -35.5063 -27.1636 42.3759 15.6434 -144.139 -87.9577 144.809 -85.9612 -32.2939 PRESSAVG: 2095400 26.774 -38.8581 -10.8599 -38.8581 1.07131 -29.1818 -10.8599 -29.1818 -16.3107 GPRESSAVG: 2095400 25.3026 -37.9908 -11.9734 -36.8802 0.11846 -29.5667 -10.3164 -30.9027 -13.7232 TIMING: 2095400 CPU: 6237.02, 0.00299201/step Wall: 6237.02, 0.00299201/step, 2.41406 hours remaining, 206.781250 MB of memory in use. ENERGY: 2095400 760.3388 2117.3003 1960.4597 120.1884 -206091.2609 17567.9643 0.0000 0.0000 34353.1614 -149211.8481 300.0147 -183565.0095 -149115.0487 300.2072 -101.2079 -70.6463 556275.2179 3.8449 3.8993 PRESSURE: 2095600 -152.754 -252.751 34.7182 -252.751 107.435 -99.57 34.7165 -99.57 96.495 GPRESSURE: 2095600 -114.966 -264.8 16.7659 -223.173 152.827 -92.6882 17.5968 -83.7145 117.568 PRESSAVG: 2095600 -35.9301 -18.8721 18.9732 -18.8721 53.3104 -0.173336 18.9732 -0.173204 -8.00341 GPRESSAVG: 2095600 -34.5089 -18.4037 19.2759 -20.4415 53.2912 2.67667 19.1062 -0.802459 -9.33351 TIMING: 2095600 CPU: 6237.62, 0.00300451/step Wall: 6237.62, 0.00300451/step, 2.42397 hours remaining, 206.781250 MB of memory in use. ENERGY: 2095600 743.0513 2206.1390 1927.5873 119.1988 -206093.7820 17669.4854 0.0000 0.0000 34212.2397 -149216.0806 298.7840 -183428.3203 -149117.7219 300.0504 17.0588 51.8095 556665.5949 3.1256 3.1496 PRESSURE: 2095800 106.555 19.9429 18.1935 19.9433 160.336 -94.6542 18.1933 -94.6549 191.378 GPRESSURE: 2095800 124.919 13.1837 -28.3216 27.3485 209.406 -42.0246 101.532 -117.574 232.16 PRESSAVG: 2095800 -42.0531 3.6741 -7.84212 3.67419 23.2956 -11.6991 -7.84198 -11.699 20.2848 GPRESSAVG: 2095800 -42.2583 2.70636 -7.32312 4.4336 22.5334 -13.3018 -8.84955 -10.4784 21.1118 TIMING: 2095800 CPU: 6238.21, 0.00298638/step Wall: 6238.21, 0.00298638/step, 2.40918 hours remaining, 206.781250 MB of memory in use. ENERGY: 2095800 749.2657 2063.6071 1962.3803 116.8679 -206655.1459 18172.7795 0.0000 0.0000 34422.4236 -149167.8218 300.6196 -183590.2454 -149071.0742 299.4593 152.7563 188.8282 557803.5201 0.5091 0.4623 PRESSURE: 2096000 -132.614 59.6133 64.0247 59.6128 -312.411 -43.3567 64.0246 -43.3576 -227.892 GPRESSURE: 2096000 -154.169 55.0689 35.3373 98.0967 -261.795 -74.507 52.3967 8.36536 -149.147 PRESSAVG: 2096000 -59.5097 -30.6274 50.9356 -30.6275 -31.6367 -14.5913 50.9356 -14.5913 98.3994 GPRESSAVG: 2096000 -60.041 -29.5902 48.3141 -30.9071 -30.4734 -15.2965 50.8784 -14.041 97.5899 TIMING: 2096000 CPU: 6238.81, 0.00298093/step Wall: 6238.81, 0.00298093/step, 2.40462 hours remaining, 206.781250 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: 2096000 742.6368 2148.3131 1953.1079 110.2367 -205760.4896 17432.9176 0.0000 0.0000 34095.3490 -149277.9286 297.7632 -183373.2776 -149182.1810 298.8465 -224.3058 -188.3704 558515.3138 2.4177 2.3585 PRESSURE: 2096200 -58.3403 -57.7214 9.69885 -57.7219 95.054 -81.8719 9.6976 -81.8728 -258.253 GPRESSURE: 2096200 25.2792 -126.957 9.91524 -45.1141 77.5768 -150.764 -57.933 -66.8408 -229.485 PRESSAVG: 2096200 16.9919 -33.7318 46.939 -33.7317 -54.4416 -20.1888 46.939 -20.1887 37.1953 GPRESSAVG: 2096200 16.7047 -33.9645 47.8365 -34.0333 -54.3617 -19.8696 46.5638 -22.0278 37.4914 TIMING: 2096200 CPU: 6239.41, 0.0029989/step Wall: 6239.41, 0.0029989/step, 2.41894 hours remaining, 206.781250 MB of memory in use. ENERGY: 2096200 757.0023 2074.6319 1977.6633 116.2185 -206104.6830 17666.0886 0.0000 0.0000 34290.2021 -149222.8761 299.4649 -183513.0783 -149130.4832 299.0807 -73.8464 -42.2098 558277.9212 -0.0848 -0.0552 LDB: ============= START OF LOAD BALANCING ============== 6242.84 LDB: ============== END OF LOAD BALANCING =============== 6242.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6242.84 LDB: ============= START OF LOAD BALANCING ============== 6243.14 LDB: Largest compute 4847 load 0.028570 is 24.2% of average load 0.118091 LDB: Average compute 0.001713 is 1.5% of average load 0.118091 LDB: TIME 6243.14 LOAD: AVG 0.118091 MAX 0.201331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.27 MB LDB: TIME 6243.14 LOAD: AVG 0.118091 MAX 0.201331 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.273 MB LDB: TIME 6243.14 LOAD: AVG 0.118091 MAX 0.201331 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6243.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6243.15 PRESSURE: 2096400 -126.647 59.0634 -33.9012 59.0624 -241.047 232.163 -33.9013 232.164 -131.417 GPRESSURE: 2096400 -35.6365 8.19105 -34.8811 99.3684 -266.73 191.181 -86.8573 221.958 -97.3437 PRESSAVG: 2096400 10.66 -11.1837 39.669 -11.1837 -24.3021 58.1473 39.6691 58.1471 -4.32085 GPRESSAVG: 2096400 11.0101 -10.343 38.7833 -11.7771 -25.3277 58.8941 39.1128 58.0099 -4.02571 TIMING: 2096400 CPU: 6240.02, 0.00304675/step Wall: 6240.02, 0.00304675/step, 2.45737 hours remaining, 206.453125 MB of memory in use. ENERGY: 2096400 761.4898 2130.4780 1934.1083 111.5776 -205928.7699 17582.1223 0.0000 0.0000 34171.6254 -149237.3684 298.4293 -183408.9938 -149145.9994 298.9296 -166.3703 -133.2368 557575.6716 -5.9876 -6.1144 PRESSURE: 2096600 -101.259 56.8349 21.2437 56.8353 163.641 36.4656 21.2427 36.4659 -194.974 GPRESSURE: 2096600 -56.7561 -1.06557 63.2374 41.8568 151.484 74.351 -81.073 -110.337 -128.71 PRESSAVG: 2096600 -8.77914 5.18322 11.8363 5.1832 9.53888 -45.3593 11.8363 -45.3593 -0.770112 GPRESSAVG: 2096600 -8.73905 3.70524 12.8437 5.12588 10.6834 -45.3224 12.0641 -45.8652 -1.606 TIMING: 2096600 CPU: 6240.62, 0.00300274/step Wall: 6240.62, 0.00300274/step, 2.42171 hours remaining, 206.656250 MB of memory in use. ENERGY: 2096600 763.7573 2049.7793 1979.8916 130.2011 -206362.9749 17946.7711 0.0000 0.0000 34179.1791 -149313.3953 298.4953 -183492.5744 -149224.9648 299.1505 -44.1977 -11.3273 557109.5846 -0.0035 0.1128 PRESSURE: 2096800 23.8868 194.073 -176.579 194.073 -101.258 9.49576 -176.577 9.49468 -114.742 GPRESSURE: 2096800 21.3535 202.464 -135.211 225.751 -31.6977 -39.3988 -74.2621 11.1303 -80.7254 PRESSAVG: 2096800 0.642821 30.9856 42.5447 30.9855 18.2267 21.8872 42.5448 21.8872 -41.5241 GPRESSAVG: 2096800 0.45816 32.1231 42.1294 31.1901 18.0412 22.3133 44.575 21.7554 -41.1612 TIMING: 2096800 CPU: 6241.22, 0.00300244/step Wall: 6241.22, 0.00300244/step, 2.4213 hours remaining, 206.656250 MB of memory in use. ENERGY: 2096800 720.6410 2084.6366 1957.7037 131.6227 -205951.5030 17688.3619 0.0000 0.0000 33937.9040 -149430.6332 296.3882 -183368.5372 -149341.1666 299.1635 -64.0376 -30.3565 558083.6243 -7.5515 -7.5539 PRESSURE: 2097000 16.3172 -133.325 18.2873 -133.323 -112.034 26.3604 18.2875 26.358 103.258 GPRESSURE: 2097000 67.2967 -162.632 -7.52371 -115.716 -74.6195 -57.316 35.9774 85.9058 98.295 PRESSAVG: 2097000 0.264643 24.3441 3.49744 24.3441 32.7307 -43.4842 3.49751 -43.4842 -9.83209 GPRESSAVG: 2097000 0.316914 24.4379 3.71051 25.2237 32.9327 -42.9679 1.56572 -41.287 -9.91124 TIMING: 2097000 CPU: 6241.82, 0.00300817/step Wall: 6241.82, 0.00300817/step, 2.42576 hours remaining, 206.656250 MB of memory in use. ENERGY: 2097000 754.7670 2083.3457 1939.4473 113.9757 -206495.8752 18033.3009 0.0000 0.0000 34047.3807 -149523.6580 297.3442 -183571.0387 -149430.3319 298.3521 2.5137 30.3241 556528.7464 7.7211 7.7795 PRESSURE: 2097200 -94.7194 104.075 -164.41 104.074 151.83 -37.7008 -164.409 -37.6999 -331.444 GPRESSURE: 2097200 -31.1837 165.306 -141.767 38.9397 195.572 -8.54273 -189.976 -128.468 -351.82 PRESSAVG: 2097200 -13.8001 12.6227 -2.02989 12.6227 50.0675 55.493 -2.02989 55.4931 1.03912 GPRESSAVG: 2097200 -14.4773 10.645 -2.6906 12.4065 50.4327 55.9302 -0.767703 53.6642 1.80588 TIMING: 2097200 CPU: 6242.42, 0.00300108/step Wall: 6242.42, 0.00300108/step, 2.41987 hours remaining, 206.656250 MB of memory in use. ENERGY: 2097200 731.2054 2097.7185 1927.4310 105.3403 -206291.3666 17706.2329 0.0000 0.0000 34342.8236 -149380.6149 299.9244 -183723.4385 -149286.6555 298.8571 -91.4444 -62.4771 555816.5146 12.4355 12.5871 PRESSURE: 2097400 99.5375 -119.286 -70.7079 -119.288 146.744 -16.3878 -70.7078 -16.3878 12.9787 GPRESSURE: 2097400 110.395 -80.141 -84.473 -90.8581 170.983 58.1061 -24.0986 -42.2407 83.8827 PRESSAVG: 2097400 18.9695 16.3725 49.1753 16.3725 20.6208 -4.37608 49.1753 -4.37589 -30.6064 GPRESSAVG: 2097400 20.1701 20.2905 50.7778 14.8049 19.8569 -5.03194 47.9888 -2.95655 -31.5669 TIMING: 2097400 CPU: 6243.02, 0.00297986/step Wall: 6243.02, 0.00297986/step, 2.4026 hours remaining, 206.656250 MB of memory in use. ENERGY: 2097400 747.0170 2096.8657 1964.2491 125.3326 -206439.8156 17974.1950 0.0000 0.0000 34221.2068 -149310.9494 298.8623 -183532.1562 -149218.6476 298.8436 86.4199 121.7537 555464.5409 2.9947 2.8200 PRESSURE: 2097600 75.5037 -19.9444 163.927 -19.9455 -198.064 19.3839 163.928 19.3848 -110.775 GPRESSURE: 2097600 128.134 11.4814 171.197 -39.5807 -167.727 4.01809 147.894 4.21969 -91.9523 PRESSAVG: 2097600 2.54003 0.151997 -18.4575 0.151958 24.4356 -9.60568 -18.4575 -9.60573 -26.642 GPRESSAVG: 2097600 1.64241 -2.14346 -20.4364 -0.132239 24.2115 -9.6194 -15.9722 -10.8709 -25.4996 TIMING: 2097600 CPU: 6243.61, 0.00297708/step Wall: 6243.61, 0.00297708/step, 2.40019 hours remaining, 206.656250 MB of memory in use. ENERGY: 2097600 759.1558 2095.4800 1948.3862 114.8838 -206247.2281 17769.9063 0.0000 0.0000 34077.8769 -149481.5392 297.6106 -183559.4161 -149383.7216 298.7013 -77.7785 -43.8484 557017.9505 0.1112 0.1181 PRESSURE: 2097800 222.06 -153.357 -98.615 -153.36 -473.689 -111.627 -98.6156 -111.627 -207.954 GPRESSURE: 2097800 249.864 -130.406 -146.377 -83.3233 -421.443 -128.973 -101.212 -51.5298 -189.382 PRESSAVG: 2097800 75.071 50.4882 33.2224 50.4882 -38.1382 -22.0968 33.2224 -22.0969 -23.1183 GPRESSAVG: 2097800 74.2424 51.4991 34.3336 51.5046 -36.5618 -23.4402 32.0426 -20.0087 -23.9315 TIMING: 2097800 CPU: 6244.21, 0.00296453/step Wall: 6244.21, 0.00296453/step, 2.38991 hours remaining, 206.656250 MB of memory in use. ENERGY: 2097800 739.4796 2059.8963 1943.5178 119.1696 -206235.4468 17632.6024 0.0000 0.0000 34370.4887 -149370.2924 300.1660 -183740.7811 -149262.8210 298.6778 -153.1946 -120.3206 558299.2407 4.6048 4.5831 PRESSURE: 2098000 -151.25 -105.931 29.2026 -105.93 -369.887 130.805 29.2036 130.806 -114.07 GPRESSURE: 2098000 -106.862 -130.974 6.14813 -50.9466 -323.405 102.094 82.5492 201.716 -106.931 PRESSAVG: 2098000 5.07863 -20.4684 30.2087 -20.4684 6.09424 -9.49488 30.2088 -9.49485 -4.96502 GPRESSAVG: 2098000 5.87658 -20.3327 28.0791 -20.4035 4.68485 -7.02955 30.981 -10.7314 -4.83879 TIMING: 2098000 CPU: 6244.8, 0.00297906/step Wall: 6244.8, 0.00297907/step, 2.40146 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: 2098000 749.1260 2078.4640 1940.1150 110.3298 -206193.1909 17563.3280 0.0000 0.0000 34360.3934 -149391.4346 300.0779 -183751.8281 -149291.0587 298.4711 -211.7358 -179.0659 557628.4580 2.0693 1.9075 PRESSURE: 2098200 102.86 44.2742 50.0138 44.274 121.227 -29.2763 50.0137 -29.2773 36.2945 GPRESSURE: 2098200 123.126 32.6917 51.5781 112.658 134.273 55.8687 120.227 -19.591 110.789 PRESSAVG: 2098200 -29.6359 27.0798 31.7602 27.0798 -23.1144 -34.2258 31.7601 -34.2259 53.4546 GPRESSAVG: 2098200 -28.7093 27.289 33.1081 26.181 -23.0644 -37.1079 30.0212 -32.7688 52.5285 TIMING: 2098200 CPU: 6245.41, 0.00302402/step Wall: 6245.41, 0.00302402/step, 2.43753 hours remaining, 206.656250 MB of memory in use. ENERGY: 2098200 744.3103 2192.1818 1929.7282 118.5230 -206301.7841 17946.8099 0.0000 0.0000 34196.6628 -149173.5682 298.6480 -183370.2310 -149080.8146 299.5962 86.7938 122.7291 557166.5373 0.2348 0.2516 PRESSURE: 2098400 -25.0222 6.62746 -17.8678 6.62713 -83.6033 -2.07146 -17.8682 -2.06989 -1.10413 GPRESSURE: 2098400 -46.6469 -20.4416 17.6933 57.8486 -18.3661 -34.8918 -10.7526 -103.663 59.5882 PRESSAVG: 2098400 -9.26262 46.6285 48.69 46.6286 19.0442 15.4792 48.6901 15.4791 -12.7052 GPRESSAVG: 2098400 -9.53809 44.7352 49.7507 46.8993 18.9814 14.1654 49.4599 14.9199 -12.4254 TIMING: 2098400 CPU: 6246.01, 0.00300963/step Wall: 6246.01, 0.00300963/step, 2.42576 hours remaining, 206.656250 MB of memory in use. ENERGY: 2098400 718.2992 2106.7301 1928.1124 116.6158 -206557.0579 17870.4136 0.0000 0.0000 34573.0409 -149243.8460 301.9350 -183816.8868 -149140.6147 299.3744 -36.5765 -1.8083 557539.4219 -0.9745 -0.9940 PRESSURE: 2098600 51.2866 41.8414 18.4818 41.8419 -10.1468 44.2814 18.4808 44.2822 -372.047 GPRESSURE: 2098600 106.994 62.4092 32.1557 55.3244 -14.8575 61.3644 104.205 10.2719 -333.615 PRESSAVG: 2098600 53.0376 20.608 26.7185 20.6079 -73.4154 -26.1551 26.7185 -26.1552 18.0423 GPRESSAVG: 2098600 53.1778 23.7471 28.4837 20.2633 -74.5945 -24.5887 26.0793 -27.9594 18.797 TIMING: 2098600 CPU: 6246.61, 0.00299927/step Wall: 6246.61, 0.00299927/step, 2.41724 hours remaining, 206.777344 MB of memory in use. ENERGY: 2098600 751.9291 2080.4096 1950.2445 106.4183 -205943.3495 17590.3331 0.0000 0.0000 34381.3247 -149082.6901 300.2607 -183464.0148 -148986.2251 299.3971 -110.3024 -80.4929 557775.7592 -0.7785 -0.8733 PRESSURE: 2098800 -89.716 154.074 -12.4678 154.074 -197.75 -71.4546 -12.4683 -71.4542 -546.966 GPRESSURE: 2098800 -87.7002 96.9571 -26.3231 137.918 -195.679 9.20125 -86.5931 -59.2434 -446.424 PRESSAVG: 2098800 68.4358 63.0896 41.7622 63.0896 -87.0899 2.36223 41.7621 2.36219 22.7095 GPRESSAVG: 2098800 68.7292 61.3141 40.093 64.5916 -86.4608 3.56947 42.4779 4.97921 22.1106 TIMING: 2098800 CPU: 6247.2, 0.00297903/step Wall: 6247.2, 0.00297903/step, 2.40077 hours remaining, 206.777344 MB of memory in use. ENERGY: 2098800 787.3492 2112.4489 1939.5162 109.1872 -206033.6749 17504.0290 0.0000 0.0000 34403.0807 -149178.0636 300.4507 -183581.1443 -149077.3199 299.4642 -278.1441 -243.2676 557536.2533 1.3518 1.4597 PRESSURE: 2099000 200.467 99.3997 35.8403 99.3998 39.7836 28.8535 35.8401 28.8528 -48.6918 GPRESSURE: 2099000 268.936 62.5164 63.3025 122.957 20.0657 65.4919 63.8782 -40.8501 -16.0961 PRESSAVG: 2099000 13.5756 31.5066 -24.7153 31.5065 -7.75017 -23.8506 -24.7153 -23.8506 1.46574 GPRESSAVG: 2099000 14.0504 30.0876 -25.1624 30.8153 -7.3711 -24.4036 -26.3461 -24.4709 0.545369 TIMING: 2099000 CPU: 6247.81, 0.00301492/step Wall: 6247.81, 0.00301492/step, 2.42952 hours remaining, 206.777344 MB of memory in use. ENERGY: 2099000 748.2262 2086.9922 1930.2545 105.7816 -206162.8925 17901.4004 0.0000 0.0000 34399.7381 -148990.4994 300.4215 -183390.2375 -148901.0641 299.5018 63.8529 90.9685 557773.5352 2.4304 2.4082 PRESSURE: 2099200 274.416 -79.6131 -36.3713 -79.6129 284.971 97.5879 -36.3716 97.5871 96.8748 GPRESSURE: 2099200 260.689 -63.853 -7.56219 -87.738 302.443 57.0357 -39.1085 110.965 195.035 PRESSAVG: 2099200 9.05625 26.9188 45.1546 26.9188 27.0328 22.637 45.1546 22.6369 -3.97628 GPRESSAVG: 2099200 8.18426 28.9979 45.9326 25.9527 25.9149 22.0091 47.1313 20.9149 -2.14473 TIMING: 2099200 CPU: 6248.4, 0.00297873/step Wall: 6248.4, 0.00297873/step, 2.4002 hours remaining, 206.777344 MB of memory in use. ENERGY: 2099200 742.9233 2128.6108 1938.6692 111.4392 -206118.9419 17967.9704 0.0000 0.0000 34288.0785 -148941.2505 299.4463 -183229.3290 -148842.5777 300.0232 218.7540 252.7221 557649.1271 10.7043 10.6515 PRESSURE: 2099400 -100.466 -151.224 84.2651 -151.223 14.2295 103.013 84.266 103.014 -142.347 GPRESSURE: 2099400 -28.7911 -187.395 50.5983 -120.572 45.8622 170.473 178.162 13.6275 -141.577 PRESSAVG: 2099400 67.4798 -25.5811 57.2902 -25.5811 17.7267 12.5542 57.2901 12.5544 -38.2604 GPRESSAVG: 2099400 68.3775 -25.2433 56.7888 -24.403 18.2085 12.8937 56.4365 12.6509 -39.658 TIMING: 2099400 CPU: 6249, 0.00299441/step Wall: 6249, 0.00299441/step, 2.41266 hours remaining, 206.777344 MB of memory in use. ENERGY: 2099400 790.0722 2101.6711 1928.2640 109.5074 -206108.4920 17896.3190 0.0000 0.0000 34268.0705 -149014.5878 299.2716 -183282.6583 -148924.2350 299.9702 -76.1943 -41.5020 558189.6311 15.6487 15.6427 PRESSURE: 2099600 -350.552 -34.6978 -11.0011 -34.6982 8.10827 21.5316 -11.0017 21.5309 -106.97 GPRESSURE: 2099600 -317.966 -4.92563 49.6731 19.9751 36.0883 77.6532 -65.8186 3.84179 -74.1259 PRESSAVG: 2099600 8.79275 -0.244251 26.2932 -0.244243 -17.4822 -7.6263 26.2934 -7.62626 -17.3163 GPRESSAVG: 2099600 8.48318 -2.14996 27.6662 0.932537 -16.3245 -7.05718 27.2807 -6.36425 -18.4088 TIMING: 2099600 CPU: 6249.6, 0.00297031/step Wall: 6249.6, 0.00297031/step, 2.39308 hours remaining, 206.777344 MB of memory in use. ENERGY: 2099600 769.3681 2088.9288 1932.9295 109.4104 -205870.2051 17561.2463 0.0000 0.0000 34294.5785 -149113.7436 299.5031 -183408.3221 -149016.8900 299.7943 -149.8044 -118.6679 557661.5319 -8.6686 -8.7500 PRESSURE: 2099800 -149.956 -222.728 -86.3778 -222.728 -186.564 -51.2567 -86.378 -51.2576 -191.76 GPRESSURE: 2099800 -94.5156 -192.234 -71.6706 -261.81 -111.088 -43.5925 -136.352 48.73 -218.783 PRESSAVG: 2099800 -8.92092 -36.8077 -40.852 -36.8077 10.5852 13.04 -40.852 13.04 -20.1544 GPRESSAVG: 2099800 -10.3483 -35.9097 -42.0526 -38.4833 10.4757 12.2393 -41.9796 10.8489 -18.4501 TIMING: 2099800 CPU: 6250.19, 0.00297516/step Wall: 6250.19, 0.00297516/step, 2.39682 hours remaining, 206.777344 MB of memory in use. ENERGY: 2099800 754.4215 2050.0097 1955.4698 120.4639 -206068.6349 17668.7315 0.0000 0.0000 34304.8726 -149214.6658 299.5930 -183519.5385 -149119.0374 299.4272 -176.0933 -141.4625 556989.3661 -6.1634 -6.1075 PRESSURE: 2100000 26.411 12.6685 -34.9834 12.6682 -81.1292 -93.2594 -34.9838 -93.258 -84.1479 GPRESSURE: 2100000 48.5117 -40.835 56.5634 12.5394 34.3436 -67.8644 -43.9991 -11.2285 -118.894 PRESSAVG: 2100000 -20.8014 -61.7132 15.2284 -61.7133 50.0527 21.3078 15.2285 21.3079 -45.4573 GPRESSAVG: 2100000 -20.1625 -61.8332 15.9332 -60.9295 50.3942 21.1125 15.6507 21.8871 -46.1815 TIMING: 2100000 CPU: 6250.79, 0.00299051/step Wall: 6250.79, 0.00299051/step, 2.40902 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: 2100000 751.1308 2091.7117 1939.5222 112.6519 -205901.7125 17741.3539 0.0000 0.0000 34135.8101 -149129.5319 298.1165 -183265.3420 -149032.1458 299.0306 -46.2887 -12.0128 557547.5134 -5.4020 -5.3166 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING COORDINATES TO DCD FILE MD.1.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 -82.7428 28.9188 2.69672 28.9174 -283.9 241.252 2.69735 241.252 -62.5366 GPRESSURE: 2100200 -58.2463 8.01351 39.9692 -37.6171 -210.728 112.266 -118.73 265.467 -70.8317 PRESSAVG: 2100200 -1.44512 -26.3892 -3.75588 -26.3892 41.8498 -19.9208 -3.7559 -19.9209 -51.1159 GPRESSAVG: 2100200 -1.68799 -27.0399 -3.84407 -26.5182 42.1651 -18.7993 -4.77871 -20.6835 -50.5777 TIMING: 2100200 CPU: 6251.4, 0.00304409/step Wall: 6251.4, 0.00304409/step, 2.45201 hours remaining, 206.902344 MB of memory in use. ENERGY: 2100200 788.9453 2100.4176 1947.1778 106.6075 -205846.8364 17557.9195 0.0000 0.0000 34207.5480 -149138.2206 298.7430 -183345.7685 -149045.4377 298.9376 -143.0597 -113.2685 557218.5822 -3.5704 -3.3669 LDB: ============= START OF LOAD BALANCING ============== 6254.82 LDB: ============== END OF LOAD BALANCING =============== 6254.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6254.83 LDB: ============= START OF LOAD BALANCING ============== 6255.12 LDB: Largest compute 4821 load 0.025324 is 21.5% of average load 0.118044 LDB: Average compute 0.001716 is 1.5% of average load 0.118044 LDB: TIME 6255.12 LOAD: AVG 0.118044 MAX 0.200115 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.316 MB LDB: TIME 6255.13 LOAD: AVG 0.118044 MAX 0.200115 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.316 MB LDB: TIME 6255.13 LOAD: AVG 0.118044 MAX 0.200115 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.316 MB LDB: ============== END OF LOAD BALANCING =============== 6255.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6255.13 PRESSURE: 2100400 77.0335 -137.03 80.4274 -137.03 -115.05 -83.6904 80.4271 -83.6913 -73.3006 GPRESSURE: 2100400 147.522 -135.809 49.1933 -91.9616 -34.0858 -105.305 54.053 -44.7057 -129.72 PRESSAVG: 2100400 -55.7949 -7.90702 -16.8224 -7.90693 -30.0734 -23.5796 -16.8223 -23.5795 22.6233 GPRESSAVG: 2100400 -55.7377 -7.91146 -17.5445 -8.97386 -29.5834 -23.7154 -16.6404 -22.1698 22.4539 TIMING: 2100400 CPU: 6252, 0.0030179/step Wall: 6252, 0.0030179/step, 2.43075 hours remaining, 206.765625 MB of memory in use. ENERGY: 2100400 739.8848 2095.9723 1940.7808 113.9207 -206028.3155 17756.7757 0.0000 0.0000 34178.6943 -149202.2869 298.4910 -183380.9812 -149112.1917 298.9891 -37.1057 -5.4276 556546.9361 -21.0817 -20.9558 PRESSURE: 2100600 247.739 3.44741 119.245 3.4471 -67.2737 -108.76 119.246 -108.76 -85.8278 GPRESSURE: 2100600 260.004 -50.8115 101.499 43.1555 -10.4294 -144.388 90.9548 -52.1526 -67.6029 PRESSAVG: 2100600 21.2212 -27.6459 -0.457031 -27.6459 -62.1482 -45.2074 -0.457089 -45.2074 67.5155 GPRESSAVG: 2100600 20.463 -27.2656 -2.14257 -26.9404 -62.1692 -44.8663 1.35857 -46.2858 68.3181 TIMING: 2100600 CPU: 6252.6, 0.00297503/step Wall: 6252.6, 0.00297503/step, 2.39606 hours remaining, 206.765625 MB of memory in use. ENERGY: 2100600 736.2243 2110.2098 1917.6367 104.5061 -206161.6308 17825.9637 0.0000 0.0000 34094.8625 -149372.2276 297.7589 -183467.0902 -149276.4101 299.1730 31.5458 60.6571 557034.6545 8.8628 8.8707 PRESSURE: 2100800 -154.58 99.7381 -104.96 99.7378 58.0204 -37.8878 -104.961 -37.8884 -369.612 GPRESSURE: 2100800 -154.49 143.51 -123.664 44.4645 90.342 -47.7577 -106.507 -62.4058 -301.095 PRESSAVG: 2100800 44.0549 26.1093 25.6604 26.1092 26.5316 -74.4441 25.6604 -74.4441 -66.9781 GPRESSAVG: 2100800 45.5617 26.5179 25.4076 25.6504 25.9753 -71.6822 25.115 -75.1496 -67.6296 TIMING: 2100800 CPU: 6253.19, 0.00296097/step Wall: 6253.19, 0.00296097/step, 2.38457 hours remaining, 206.765625 MB of memory in use. ENERGY: 2100800 711.0216 2151.1105 1915.4696 121.8529 -206126.3129 17645.2747 0.0000 0.0000 34319.2998 -149262.2839 299.7190 -183581.5836 -149157.9723 299.0243 -155.3902 -121.7476 557936.5005 1.2028 1.3025 PRESSURE: 2101000 -349.355 97.1832 -95.86 97.1855 -146.234 -49.2952 -95.861 -49.2933 -327.537 GPRESSURE: 2101000 -286.226 26.1317 -139.636 41.7054 -138.652 -145.235 -98.5957 3.4715 -305.713 PRESSAVG: 2101000 -58.3047 -15.6405 14.5275 -15.6404 27.1876 -10.6559 14.5276 -10.6559 8.61716 GPRESSAVG: 2101000 -58.7732 -17.5827 16.2993 -14.9086 27.6307 -13.6297 14.6215 -7.73686 8.34611 TIMING: 2101000 CPU: 6253.78, 0.00294355/step Wall: 6253.78, 0.00294355/step, 2.37038 hours remaining, 206.765625 MB of memory in use. ENERGY: 2101000 785.4733 2034.6402 1958.7282 99.7822 -205902.2810 17559.8501 0.0000 0.0000 34292.8596 -149170.9474 299.4881 -183463.8070 -149070.4696 299.2566 -274.3752 -243.5305 557634.8505 -7.5000 -7.5988 PRESSURE: 2101200 56.1622 -39.7827 10.8214 -39.7825 -369.692 -7.65315 10.8211 -7.65382 24.3174 GPRESSURE: 2101200 60.4737 -78.4711 -48.3322 21.4652 -300.688 5.85987 1.57521 35.6399 59.1629 PRESSAVG: 2101200 25.3348 -18.4958 22.2486 -18.4957 -48.0815 -7.26014 22.2486 -7.26022 16.5784 GPRESSAVG: 2101200 24.5123 -15.8553 24.4641 -19.2158 -47.9585 -7.02616 20.3153 -7.37063 17.414 TIMING: 2101200 CPU: 6254.37, 0.00296598/step Wall: 6254.37, 0.00296598/step, 2.38828 hours remaining, 206.765625 MB of memory in use. ENERGY: 2101200 751.6804 2129.2149 1922.6088 96.3846 -206084.8044 17729.3805 0.0000 0.0000 34283.8533 -149171.6819 299.4094 -183455.5351 -149074.5991 299.5765 -96.4040 -60.3504 558129.2100 -2.0561 -2.0107 PRESSURE: 2101400 -92.4444 -0.672294 -67.2201 -0.670899 -116.818 -86.5923 -67.2205 -86.5908 13.1129 GPRESSURE: 2101400 -78.0019 -4.34326 2.10991 35.3503 -100.115 -29.5968 -55.1275 -160.934 55.9749 PRESSAVG: 2101400 11.4343 -33.614 -37.4618 -33.614 8.92237 -23.9539 -37.4617 -23.9538 -0.618353 GPRESSAVG: 2101400 11.978 -33.5522 -38.3905 -33.9515 8.87379 -24.5089 -38.0123 -26.5805 -1.07748 TIMING: 2101400 CPU: 6254.96, 0.00295947/step Wall: 6254.96, 0.00295947/step, 2.38286 hours remaining, 206.765625 MB of memory in use. ENERGY: 2101400 740.2966 2080.0120 1946.6943 118.9472 -206115.4124 17768.9351 0.0000 0.0000 34147.9490 -149312.5782 298.2225 -183460.5272 -149215.8682 298.5325 -65.3831 -40.7139 557976.2520 6.5794 6.5914 PRESSURE: 2101600 -163.791 81.2897 -17.772 81.2889 -76.7509 165.674 -17.7721 165.675 85.7118 GPRESSURE: 2101600 -110.227 71.1089 -134.992 87.9761 -40.3953 241.377 56.9186 149.365 89.0602 PRESSAVG: 2101600 14.9963 0.347836 41.483 0.347898 -26.4763 -30.1607 41.483 -30.1607 17.9088 GPRESSAVG: 2101600 15.2245 0.03708 40.1339 1.10804 -26.4453 -29.9296 43.4597 -27.3567 18.1646 TIMING: 2101600 CPU: 6255.55, 0.00294887/step Wall: 6255.55, 0.00294887/step, 2.37416 hours remaining, 206.765625 MB of memory in use. ENERGY: 2101600 728.9727 2126.4551 1915.6383 107.4332 -206070.3297 17622.6958 0.0000 0.0000 34302.6310 -149266.5036 299.5734 -183569.1346 -149168.7897 298.7085 -51.6099 -20.5205 557263.8403 2.1429 2.3146 PRESSURE: 2101800 -97.6792 -101.565 -38.2306 -101.566 99.3926 184.542 -38.2296 184.543 -161.322 GPRESSURE: 2101800 -107.823 -185.856 64.2388 -59.8622 177.565 296.731 -103.224 110.214 -127.942 PRESSAVG: 2101800 11.1848 -5.57411 -34.0474 -5.57394 9.5346 -11.7493 -34.0474 -11.7493 -6.10243 GPRESSAVG: 2101800 10.7496 -7.76168 -33.6116 -7.11919 9.53891 -9.84989 -34.0032 -14.0788 -5.72753 TIMING: 2101800 CPU: 6256.14, 0.00294768/step Wall: 6256.14, 0.00294768/step, 2.37305 hours remaining, 206.765625 MB of memory in use. ENERGY: 2101800 749.9129 2109.9717 1917.9751 104.0751 -206415.4758 18017.6369 0.0000 0.0000 34278.4153 -149237.4888 299.3619 -183515.9041 -149132.2744 298.8164 -53.2028 -19.4000 559494.5766 4.8723 4.8537 PRESSURE: 2102000 -119.694 20.738 21.704 20.7381 -70.2373 30.9606 21.705 30.9605 -176.806 GPRESSURE: 2102000 -60.4833 -40.1071 22.1283 37.8496 -58.3221 71.5959 9.21948 57.5432 -150.027 PRESSAVG: 2102000 69.4057 13.3827 -23.9794 13.3826 -20.1167 80.9764 -23.9793 80.9763 -73.1346 GPRESSAVG: 2102000 69.4518 13.4373 -24.1241 13.5313 -19.1614 79.9162 -23.9023 83.1988 -73.8075 TIMING: 2102000 CPU: 6256.73, 0.00294334/step Wall: 6256.73, 0.00294334/step, 2.36939 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: 2102000 766.7133 2090.4896 1920.8073 115.1306 -206247.2607 17835.5485 0.0000 0.0000 34139.2416 -149379.3297 298.1465 -183518.5713 -149281.3878 298.8240 -122.2460 -89.6106 558194.5737 -7.9485 -7.8390 PRESSURE: 2102200 -19.0094 -125.037 61.709 -125.038 76.6872 96.2386 61.7078 96.2395 -70.9239 GPRESSURE: 2102200 -2.8589 -73.6811 -109 -177.803 160.689 4.01056 138.964 121.091 -80.3638 PRESSAVG: 2102200 30.8287 -7.85318 29.4387 -7.85319 27.6765 1.68041 29.4389 1.6805 -55.8824 GPRESSAVG: 2102200 30.7829 -7.76594 29.5693 -8.51591 27.8103 2.40318 29.7555 -0.037595 -56.4504 TIMING: 2102200 CPU: 6257.32, 0.00294823/step Wall: 6257.32, 0.00294823/step, 2.37316 hours remaining, 206.765625 MB of memory in use. ENERGY: 2102200 716.0906 2102.2209 1922.7109 128.7076 -206306.4941 17753.8216 0.0000 0.0000 34280.7430 -149402.1994 299.3823 -183682.9424 -149303.1463 299.0456 -4.4154 25.8221 556978.7778 0.8743 0.7143 PRESSURE: 2102400 -166.498 -176.654 -9.21341 -176.655 -27.4016 -121.505 -9.21438 -121.508 204.202 GPRESSURE: 2102400 -148.617 -142.2 -100.752 -219.264 41.7224 -93.1436 60.3703 -118.93 227.137 PRESSAVG: 2102400 -35.8926 -40.0419 -17.7714 -40.0419 30.1811 7.88182 -17.7713 7.8818 39.1097 GPRESSAVG: 2102400 -35.9088 -40.2827 -19.6727 -36.9426 29.5295 7.94398 -17.3355 8.57642 39.7478 TIMING: 2102400 CPU: 6257.91, 0.00295528/step Wall: 6257.91, 0.00295528/step, 2.37867 hours remaining, 206.765625 MB of memory in use. ENERGY: 2102400 754.2004 2073.0349 1913.5717 106.6274 -206597.2178 17984.2311 0.0000 0.0000 34316.7122 -149448.8402 299.6964 -183765.5524 -149354.8086 299.1781 3.4343 40.0810 556081.3830 11.1327 11.1228 PRESSURE: 2102600 -275.142 -5.99768 -60.3985 -5.99832 -21.0543 17.4074 -60.3973 17.4075 -3.39854 GPRESSURE: 2102600 -193.627 27.8166 -111.935 -13.5412 -51.1296 82.4149 -95.8727 104.56 45.7458 PRESSAVG: 2102600 -105.916 -4.85125 -51.5384 -4.85126 39.2069 -18.1031 -51.5385 -18.1033 60.1712 GPRESSAVG: 2102600 -105.795 -4.3942 -49.9905 -6.09596 38.7374 -19.1384 -53.9556 -17.4425 60.1399 TIMING: 2102600 CPU: 6258.51, 0.0029733/step Wall: 6258.51, 0.0029733/step, 2.39301 hours remaining, 206.765625 MB of memory in use. ENERGY: 2102600 696.3870 2090.7330 1905.6563 110.3095 -205842.3437 17574.0081 0.0000 0.0000 34147.5700 -149317.6799 298.2192 -183465.2498 -149227.9696 299.5321 -99.8648 -66.3368 556528.9097 -2.1792 -2.3059 PRESSURE: 2102800 -200.586 184.943 -39.3857 184.943 -32.6933 -124.442 -39.3863 -124.441 56.731 GPRESSURE: 2102800 -160.049 174.265 -119.116 170.925 -57.0502 -118.543 -63.0194 -62.0635 130.523 PRESSAVG: 2102800 -12.4212 87.9862 41.0522 87.9862 23.9914 -29.1885 41.0521 -29.1884 21.3862 GPRESSAVG: 2102800 -13.7676 86.6366 41.2757 88.9187 24.8124 -28.583 40.456 -29.3027 21.8348 TIMING: 2102800 CPU: 6259.1, 0.00298303/step Wall: 6259.1, 0.00298303/step, 2.40067 hours remaining, 206.765625 MB of memory in use. ENERGY: 2102800 708.7649 2077.8193 1910.9795 113.9102 -205880.0648 17604.6602 0.0000 0.0000 34133.0244 -149330.9063 298.0922 -183463.9307 -149232.6363 299.1131 -58.8495 -28.8589 556989.6072 10.9855 10.9599 PRESSURE: 2103000 -166.284 24.0146 52.0554 24.015 -50.9662 -19.6299 52.056 -19.6292 -187.449 GPRESSURE: 2103000 -147.895 -16.2615 13.9314 58.9328 1.63682 12.3234 27.4197 38.1715 -158.144 PRESSAVG: 2103000 -29.9272 103.765 -11.5045 103.765 23.5804 29.5014 -11.5045 29.5016 12.8696 GPRESSAVG: 2103000 -29.5618 106.241 -13.1901 100.855 23.0033 28.3043 -9.22983 30.7763 12.8204 TIMING: 2103000 CPU: 6259.7, 0.00298601/step Wall: 6259.7, 0.00298601/step, 2.40291 hours remaining, 206.765625 MB of memory in use. ENERGY: 2103000 728.5993 2074.2630 1918.7261 123.1027 -206089.4349 17532.1585 0.0000 0.0000 34415.5118 -149297.0735 300.5592 -183712.5853 -149197.7867 299.0085 -134.8996 -101.4672 556181.1253 2.1743 2.0873 PRESSURE: 2103200 -220.733 -2.14966 6.83925 -2.14919 -9.17822 26.9457 6.83897 26.9458 -424.081 GPRESSURE: 2103200 -167.03 -21.9899 -50.9961 -14.3447 32.8892 101.906 45.158 -16.4522 -425.444 PRESSAVG: 2103200 -2.82002 3.00311 27.6575 3.00314 -1.85881 61.8499 27.6574 61.85 13.4431 GPRESSAVG: 2103200 -2.33576 1.81577 29.2054 3.54306 -1.89741 61.1365 27.2304 61.8968 13.4256 TIMING: 2103200 CPU: 6260.29, 0.00296961/step Wall: 6260.29, 0.00296961/step, 2.38955 hours remaining, 206.765625 MB of memory in use. ENERGY: 2103200 745.4269 2078.5627 1956.6691 109.0244 -205807.5064 17292.8556 0.0000 0.0000 34264.5691 -149360.3986 299.2410 -183624.9677 -149257.3796 298.5560 -217.9976 -186.5285 556786.4930 2.9214 3.0642 PRESSURE: 2103400 41.4144 -75.9748 -90.7071 -75.9739 12.4302 -26.3314 -90.7085 -26.3322 -18.6845 GPRESSURE: 2103400 29.3207 -54.4741 -54.953 -48.4407 81.732 -17.0443 -87.4033 -38.9595 6.35216 PRESSAVG: 2103400 -14.7204 -27.4628 -33.8426 -27.4628 15.9305 25.3368 -33.8426 25.3369 14.8879 GPRESSAVG: 2103400 -15.2665 -27.6839 -34.6517 -27.695 16.265 25.4841 -33.2436 24.5006 14.9774 TIMING: 2103400 CPU: 6260.89, 0.00298545/step Wall: 6260.89, 0.00298545/step, 2.40213 hours remaining, 206.765625 MB of memory in use. ENERGY: 2103400 724.3394 2066.8814 1932.7068 111.7671 -206560.3867 17867.3938 0.0000 0.0000 34402.2801 -149455.0179 300.4437 -183857.2980 -149359.3684 299.5544 11.7200 39.1350 556426.5785 5.3660 5.3253 PRESSURE: 2103600 106.408 3.79459 -156.837 3.79361 -203.427 50.9863 -156.837 50.9848 -209.506 GPRESSURE: 2103600 120.632 27.2925 -206.399 -10.431 -142.497 -21.0057 -125.912 69.5374 -174.524 PRESSAVG: 2103600 -12.9223 24.4745 -25.7361 24.4744 20.8573 -45.2102 -25.7361 -45.2102 -5.9658 GPRESSAVG: 2103600 -11.3272 25.0706 -26.1809 26.8159 20.4027 -45.1192 -26.6707 -47.2124 -7.2807 TIMING: 2103600 CPU: 6261.49, 0.0029998/step Wall: 6261.49, 0.0029998/step, 2.41351 hours remaining, 206.765625 MB of memory in use. ENERGY: 2103600 804.4134 2047.8120 1906.7284 112.6868 -205843.6467 17513.2959 0.0000 0.0000 34186.6223 -149272.0879 298.5603 -183458.7103 -149171.0273 299.0834 -102.1750 -65.4631 557711.2421 0.6564 0.5983 PRESSURE: 2103800 263.945 46.7755 162.329 46.7748 -84.039 -64.5232 162.33 -64.5229 289.741 GPRESSURE: 2103800 316.057 60.4626 181.498 58.3066 -79.4808 -28.698 78.2288 -24.4706 341.322 PRESSAVG: 2103800 52.8388 -3.11422 -4.60448 -3.11435 -40.3078 -7.66776 -4.60447 -7.66781 0.780595 GPRESSAVG: 2103800 52.114 -3.52479 -1.00772 -3.85947 -40.2859 -9.21263 -5.50338 -6.14072 1.62523 TIMING: 2103800 CPU: 6262.09, 0.00298987/step Wall: 6262.09, 0.00298987/step, 2.40535 hours remaining, 206.765625 MB of memory in use. ENERGY: 2103800 724.0337 2090.1457 1936.9611 117.6360 -206831.0755 18215.3105 0.0000 0.0000 34380.1932 -149366.7953 300.2508 -183746.9885 -149267.3483 299.1031 156.5489 192.6330 557802.1529 4.4372 4.4844 PRESSURE: 2104000 127.509 51.1136 156.38 51.1139 118.879 113.78 156.382 113.779 -14.422 GPRESSURE: 2104000 184.911 15.3779 203.079 112.125 68.8991 105.74 55.7872 134.472 68.877 PRESSAVG: 2104000 8.00738 48.1178 -22.3697 48.1178 21.863 22.1705 -22.3698 22.1705 -26.844 GPRESSAVG: 2104000 8.17495 48.5606 -26.4694 46.9091 21.1953 26.674 -21.3601 18.1324 -26.8778 TIMING: 2104000 CPU: 6262.68, 0.00296633/step Wall: 6262.68, 0.00296633/step, 2.38625 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: 2104000 724.5008 2096.7431 1931.1545 118.5803 -206742.8393 18255.4228 0.0000 0.0000 34291.2188 -149325.2190 299.4737 -183616.4378 -149228.8026 298.3685 77.3221 107.5623 559751.6628 1.0088 0.8308 PRESSURE: 2104200 66.1496 15.5637 -27.1582 15.5628 5.93446 62.9128 -27.1564 62.9109 -8.36391 GPRESSURE: 2104200 153.283 109.343 -92.5764 47.7575 -26.3363 63.5687 -34.1119 40.0904 26.9048 PRESSAVG: 2104200 11.457 27.9894 16.9027 27.9895 -5.86137 46.104 16.9027 46.1041 -3.48494 GPRESSAVG: 2104200 10.4866 27.5305 19.0984 30.0139 -4.19783 43.2504 16.4556 47.0546 -4.28042 TIMING: 2104200 CPU: 6263.28, 0.00298437/step Wall: 6263.28, 0.00298437/step, 2.4006 hours remaining, 206.765625 MB of memory in use. ENERGY: 2104200 772.3538 2110.8891 1898.3799 111.7609 -206470.0759 17992.1322 0.0000 0.0000 34156.2564 -149428.3035 298.2951 -183584.5600 -149330.9989 298.3377 21.2401 51.2839 557501.3460 0.7036 0.6694 LDB: ============= START OF LOAD BALANCING ============== 6266.71 LDB: ============== END OF LOAD BALANCING =============== 6266.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6266.71 LDB: ============= START OF LOAD BALANCING ============== 6267.01 LDB: Largest compute 4821 load 0.024129 is 20.4% of average load 0.118110 LDB: Average compute 0.001706 is 1.4% of average load 0.118110 LDB: TIME 6267.01 LOAD: AVG 0.11811 MAX 0.198459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 6267.01 LOAD: AVG 0.11811 MAX 0.198459 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: TIME 6267.01 LOAD: AVG 0.11811 MAX 0.198459 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: ============== END OF LOAD BALANCING =============== 6267.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6267.02 PRESSURE: 2104400 -95.4386 -143.462 37.2496 -143.462 -184.889 72.4166 37.2487 72.4164 -146.185 GPRESSURE: 2104400 -118.393 -80.0271 -23.9794 -176.511 -147.422 21.4669 -70.01 106.548 -56.1112 PRESSAVG: 2104400 -17.9473 75.8067 23.5191 75.8066 -10.5413 44.1475 23.5192 44.1474 5.42256 GPRESSAVG: 2104400 -17.1438 75.3639 22.1422 75.1724 -12.202 45.4149 23.0258 44.9416 6.97398 TIMING: 2104400 CPU: 6263.89, 0.00304248/step Wall: 6263.89, 0.00304248/step, 2.44717 hours remaining, 205.996094 MB of memory in use. ENERGY: 2104400 742.2167 2061.9353 1911.5249 121.8639 -206250.2762 17722.0062 0.0000 0.0000 34341.8218 -149348.9075 299.9157 -183690.7293 -149258.4545 298.9196 -142.1710 -107.3088 557806.4257 -7.6887 -7.4573 PRESSURE: 2104600 -28.5057 177.728 10.073 177.729 386.626 -138.417 10.0742 -138.416 140.03 GPRESSURE: 2104600 5.32537 170.817 63.8289 149.253 421.308 -210.412 -30.1875 -90.8654 170.105 PRESSAVG: 2104600 29.6454 10.5102 24.3493 10.5102 -30.2779 0.561021 24.3493 0.561091 17.2824 GPRESSAVG: 2104600 29.9176 9.68791 24.1909 9.83539 -29.6981 -0.804838 24.0472 3.11004 16.1061 TIMING: 2104600 CPU: 6264.49, 0.00299911/step Wall: 6264.49, 0.00299911/step, 2.41212 hours remaining, 205.996094 MB of memory in use. ENERGY: 2104600 756.9580 2070.6414 1911.2589 105.5087 -206599.1795 18132.0732 0.0000 0.0000 34243.9523 -149378.7871 299.0610 -183622.7394 -149278.8164 299.1662 166.0502 198.9127 557190.3678 5.5500 5.4419 PRESSURE: 2104800 231.636 -41.9188 -23.2558 -41.9193 -13.6447 132.655 -23.2545 132.656 -15.3663 GPRESSURE: 2104800 265.293 -172.552 -28.2913 -64.5244 27.4398 158.964 -102.128 110.731 7.4892 PRESSAVG: 2104800 25.5476 -33.9434 36.9746 -33.9434 48.2423 -22.0512 36.9745 -22.0514 -36.6922 GPRESSAVG: 2104800 24.9182 -33.981 36.9058 -32.9096 49.3839 -21.9492 38.7539 -23.891 -37.4175 TIMING: 2104800 CPU: 6265.09, 0.00299415/step Wall: 6265.09, 0.00299415/step, 2.40796 hours remaining, 205.996094 MB of memory in use. ENERGY: 2104800 762.1629 2098.4016 1932.7801 112.3108 -206521.7225 17839.9254 0.0000 0.0000 34440.0095 -149336.1321 300.7732 -183776.1417 -149240.1402 299.6323 67.5417 100.0739 556140.2686 12.3659 12.2949 PRESSURE: 2105000 169.599 -121.581 103.741 -121.581 52.3389 -157.304 103.742 -157.304 186.992 GPRESSURE: 2105000 176.281 -62.0659 124.839 -193.792 96.5727 -187.247 61.3393 -61.3958 236.516 PRESSAVG: 2105000 78.2046 -44.8364 19.9536 -44.8365 -43.5053 -64.0759 19.9537 -64.0758 27.0329 GPRESSAVG: 2105000 78.2957 -44.8049 20.7876 -45.8999 -44.4628 -63.8737 17.2492 -63.1211 28.6149 TIMING: 2105000 CPU: 6265.68, 0.00298151/step Wall: 6265.68, 0.00298151/step, 2.39763 hours remaining, 205.996094 MB of memory in use. ENERGY: 2105000 739.2895 2069.4173 1924.5084 113.5495 -206636.4310 17943.2703 0.0000 0.0000 34218.3704 -149628.0256 298.8375 -183846.3960 -149531.0945 298.8780 136.3101 169.7899 555458.6660 20.5774 20.8159 PRESSURE: 2105200 -5.3274 145.653 -65.9027 145.652 -35.267 98.5002 -65.9022 98.5011 -223.48 GPRESSURE: 2105200 -34.2215 80.9391 -56.4214 160.449 39.8214 219.868 -28.3947 81.5507 -180.998 PRESSAVG: 2105200 79.1103 11.9781 14.1374 11.978 -21.9637 -37.2948 14.1374 -37.2947 -68.3609 GPRESSAVG: 2105200 79.9246 12.6239 14.7532 12.198 -22.3146 -37.6673 15.0455 -38.8062 -68.889 TIMING: 2105200 CPU: 6266.28, 0.00298253/step Wall: 6266.28, 0.00298253/step, 2.39828 hours remaining, 205.996094 MB of memory in use. ENERGY: 2105200 757.1354 2003.4797 1947.1253 117.1469 -206861.2552 17998.5956 0.0000 0.0000 34344.2400 -149693.5324 299.9368 -184037.7724 -149597.1873 299.0470 -88.0249 -58.4661 557088.4841 -3.7381 -3.7597 PRESSURE: 2105400 213.662 88.7655 -150.621 88.767 92.0123 83.6055 -150.621 83.6041 117.024 GPRESSURE: 2105400 279.411 77.9628 -123.826 72.6501 145.723 78.6149 -182.618 103.385 106.089 PRESSAVG: 2105400 35.6397 31.643 -54.7011 31.6431 -4.66802 -30.0964 -54.701 -30.0965 -9.18145 GPRESSAVG: 2105400 36.1422 34.4916 -54.3418 28.8456 -4.93699 -27.7523 -54.4209 -30.5309 -9.32273 TIMING: 2105400 CPU: 6266.88, 0.0029945/step Wall: 6266.88, 0.0029945/step, 2.40774 hours remaining, 205.996094 MB of memory in use. ENERGY: 2105400 745.0861 2058.2084 1931.4542 110.1243 -206746.0284 18186.2732 0.0000 0.0000 34051.0727 -149663.8094 297.3765 -183714.8821 -149575.8030 298.6840 140.8996 177.0743 555877.4957 7.2634 7.2942 PRESSURE: 2105600 106.71 38.0622 -4.68554 38.0627 -74.1245 -102.494 -4.68566 -102.494 -118.482 GPRESSURE: 2105600 100.718 -24.0386 -80.943 47.8325 -10.776 -186.271 59.4925 -125.614 -89.7498 PRESSAVG: 2105600 74.884 4.46831 -19.6999 4.46826 -36.4255 -21.9567 -19.6999 -21.9567 -35.808 GPRESSAVG: 2105600 74.1927 1.82111 -20.0048 5.60636 -35.2569 -23.4669 -18.8668 -20.8012 -35.9179 TIMING: 2105600 CPU: 6267.47, 0.00296459/step Wall: 6267.47, 0.00296459/step, 2.38353 hours remaining, 205.996094 MB of memory in use. ENERGY: 2105600 774.7825 2119.9423 1908.3584 115.9026 -206311.3535 17743.6848 0.0000 0.0000 34056.9041 -149591.7788 297.4274 -183648.6829 -149491.9389 298.0889 -28.6322 0.0641 557628.5884 0.8835 1.0060 PRESSURE: 2105800 -48.6702 67.6963 -89.6662 67.6954 -185.017 113.372 -89.6678 113.373 131.05 GPRESSURE: 2105800 23.3603 33.641 -71.7467 86.3377 -198.605 125.268 -85.8049 38.9044 167.467 PRESSAVG: 2105800 2.28699 76.7214 -59.9135 76.7214 -33.0939 11.5899 -59.9135 11.5898 6.3435 GPRESSAVG: 2105800 1.73132 75.0319 -61.3177 77.8499 -33.9145 12.8159 -61.9603 10.2454 7.40071 TIMING: 2105800 CPU: 6268.06, 0.00295317/step Wall: 6268.06, 0.00295317/step, 2.37419 hours remaining, 205.996094 MB of memory in use. ENERGY: 2105800 769.0345 2067.9674 1937.8701 122.7057 -206698.0808 17938.7111 0.0000 0.0000 34206.8820 -149654.9101 298.7372 -183861.7920 -149558.3919 298.1948 -34.2122 -2.5927 557174.6798 -8.1545 -8.2608 PRESSURE: 2106000 240.326 -70.2104 -16.9726 -70.2113 157.04 51.831 -16.9714 51.8301 146.945 GPRESSURE: 2106000 235.242 -29.1838 -70.9589 -112.153 174.589 58.2602 -38.0055 62.4892 226.482 PRESSAVG: 2106000 81.5046 -8.16674 24.5362 -8.16674 -25.5393 14.6441 24.5363 14.6441 -21.4017 GPRESSAVG: 2106000 81.4472 -7.1105 24.5176 -7.68416 -25.1125 13.9603 27.3949 14.9965 -21.4565 TIMING: 2106000 CPU: 6268.65, 0.00296419/step Wall: 6268.65, 0.00296419/step, 2.38288 hours remaining, 205.996094 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: 2106000 761.8915 2132.1014 1926.1453 111.4211 -206921.6386 18206.0588 0.0000 0.0000 34110.0874 -149673.9331 297.8919 -183784.0205 -149568.4531 298.1086 181.4372 212.1046 556192.4534 11.5212 11.6261 PRESSURE: 2106200 -32.4447 43.4644 -94.6432 43.4646 279.854 -23.7707 -94.6445 -23.7703 93.7142 GPRESSURE: 2106200 27.5217 112.038 -177.412 -26.52 279.777 -106.799 23.811 15.9892 130.15 PRESSAVG: 2106200 24.3908 16.0886 4.52627 16.0886 9.43013 44.4611 4.5262 44.4611 31.5948 GPRESSAVG: 2106200 25.1197 17.3143 3.93722 15.8302 8.65444 43.5402 4.09622 44.0238 31.318 TIMING: 2106200 CPU: 6269.24, 0.00294452/step Wall: 6269.24, 0.00294452/step, 2.3669 hours remaining, 205.996094 MB of memory in use. ENERGY: 2106200 733.1463 2067.3652 1960.5718 112.6273 -206556.1170 18076.2212 0.0000 0.0000 34107.1422 -149499.0429 297.8662 -183606.1852 -149405.4550 298.5783 113.7080 145.8160 557675.0694 21.8052 21.6974 PRESSURE: 2106400 -137.44 -32.1832 -9.66624 -32.1827 -60.0617 194.538 -9.66703 194.537 190.529 GPRESSURE: 2106400 -109.7 -44.5594 -75.6439 24.8822 -48.8134 197.471 -2.07391 148.366 235.05 PRESSAVG: 2106400 -30.2855 32.2431 -25.7994 32.2431 -20.1097 37.8891 -25.7994 37.889 53.6085 GPRESSAVG: 2106400 -30.0435 32.0738 -25.108 31.5881 -18.9265 37.8225 -25.3095 38.6072 52.7069 TIMING: 2106400 CPU: 6269.84, 0.00296179/step Wall: 6269.84, 0.00296179/step, 2.38062 hours remaining, 205.996094 MB of memory in use. ENERGY: 2106400 724.0524 2086.1853 1947.9151 104.0326 -206286.0318 17687.9386 0.0000 0.0000 34294.7045 -149441.2034 299.5042 -183735.9079 -149344.0395 298.4864 -2.3240 25.5123 557624.5149 1.0711 1.2456 PRESSURE: 2106600 -418.694 134.473 -37.4082 134.474 -58.9871 -52.0287 -37.4084 -52.0277 144.993 GPRESSURE: 2106600 -391.32 160.068 13.8138 110.071 -22.2025 10.8236 -90.0523 -113.154 190.132 PRESSAVG: 2106600 -35.1106 40.8869 -29.8232 40.887 24.6035 19.764 -29.8232 19.764 2.78269 GPRESSAVG: 2106600 -35.0598 41.276 -30.1336 40.1126 24.0081 19.4207 -28.8066 18.6489 3.68427 TIMING: 2106600 CPU: 6270.43, 0.00297534/step Wall: 6270.43, 0.00297534/step, 2.39135 hours remaining, 205.996094 MB of memory in use. ENERGY: 2106600 743.6110 2078.6864 1927.8297 111.0112 -206298.3315 17721.1847 0.0000 0.0000 34349.4484 -149366.5600 299.9823 -183716.0084 -149271.7700 299.5141 -110.8960 -74.4635 556890.5026 -2.5748 -2.4558 PRESSURE: 2106800 86.8733 -47.4232 115.96 -47.4242 -135.032 48.5143 115.962 48.5146 -89.2898 GPRESSURE: 2106800 126.218 -35.3726 161.82 -58.6941 -104.858 91.4618 70.34 -6.62595 -55.497 PRESSAVG: 2106800 4.61897 -1.94652 6.01658 -1.9465 9.33411 -4.9916 6.0165 -4.99161 16.0137 GPRESSAVG: 2106800 5.83492 -0.790373 7.16056 -1.05932 9.07808 -2.34876 5.13521 -5.41585 15.1621 TIMING: 2106800 CPU: 6271.02, 0.00296459/step Wall: 6271.02, 0.00296459/step, 2.38254 hours remaining, 205.996094 MB of memory in use. ENERGY: 2106800 704.1077 2160.6287 1931.3124 112.8484 -206235.0409 17730.5810 0.0000 0.0000 34352.0720 -149243.4907 300.0052 -183595.5627 -149150.1012 298.7627 -45.8160 -11.3793 557566.3435 9.9889 10.0250 PRESSURE: 2107000 -158.749 73.3045 152.626 73.3044 300.337 -14.8705 152.627 -14.8717 -135.871 GPRESSURE: 2107000 -76.3217 65.9295 159.534 70.1157 225.381 -20.061 140.005 1.20197 -35.7752 PRESSAVG: 2107000 -34.1085 -8.1443 35.0071 -8.14425 47.0601 -13.4077 35.007 -13.4076 7.20412 GPRESSAVG: 2107000 -35.1814 -9.34549 35.2809 -8.08203 47.2557 -15.055 34.6239 -13.5726 8.4513 TIMING: 2107000 CPU: 6271.62, 0.00298596/step Wall: 6271.62, 0.00298596/step, 2.39955 hours remaining, 205.996094 MB of memory in use. ENERGY: 2107000 720.3096 2127.9684 1951.7996 112.1923 -206007.1099 17765.7291 0.0000 0.0000 34300.5324 -149028.5784 299.5551 -183329.1108 -148931.3966 299.5129 1.9055 37.7615 558320.8795 6.7186 6.8419 PRESSURE: 2107200 -293.2 34.1195 -31.8102 34.1196 -224.586 -114.339 -31.8098 -114.338 -29.5302 GPRESSURE: 2107200 -199.086 21.0526 1.66309 123.769 -198.462 -171.819 -98.8936 -63.032 -50.0704 PRESSAVG: 2107200 -63.0445 -8.24475 14.6299 -8.2448 84.0743 -20.798 14.6299 -20.798 -14.2941 GPRESSAVG: 2107200 -63.9081 -7.38947 15.5573 -9.15699 84.7259 -21.8639 14.409 -18.7661 -13.692 TIMING: 2107200 CPU: 6272.21, 0.00296979/step Wall: 6272.21, 0.00296979/step, 2.38639 hours remaining, 205.996094 MB of memory in use. ENERGY: 2107200 788.9894 2054.1656 1913.9673 102.9424 -205641.5904 17630.7502 0.0000 0.0000 34268.1850 -148882.5904 299.2726 -183150.7754 -148775.9071 299.8447 -182.4387 -149.2061 559465.5119 2.2452 2.3753 PRESSURE: 2107400 -441.311 -47.5305 -169.777 -47.5307 -356.108 -40.9437 -169.777 -40.944 -306.413 GPRESSURE: 2107400 -406.826 -113.259 -195.802 -51.2501 -277.511 3.89943 -56.3946 -108.554 -316.557 PRESSAVG: 2107400 8.89394 6.32196 -24.1658 6.32176 -41.8362 -21.9952 -24.1658 -21.9951 40.3389 GPRESSAVG: 2107400 9.38652 5.90209 -25.3269 5.96807 -41.0478 -22.0354 -23.4059 -24.2932 38.8983 TIMING: 2107400 CPU: 6272.81, 0.00298959/step Wall: 6272.81, 0.00298959/step, 2.40213 hours remaining, 205.996094 MB of memory in use. ENERGY: 2107400 744.2156 2123.6243 1891.4750 118.4482 -205171.4109 17106.2016 0.0000 0.0000 34292.3502 -148895.0960 299.4836 -183187.4462 -148800.2554 300.1041 -367.9441 -333.6310 559994.1869 2.4655 2.4123 PRESSURE: 2107600 9.5247 67.3458 85.0008 67.346 -73.1487 -148.582 85.0016 -148.582 -4.47986 GPRESSURE: 2107600 35.7127 77.932 60.4973 160.305 4.69674 -164.597 100.324 -79.7474 -8.96965 PRESSAVG: 2107600 -34.0848 10.1982 -60.9374 10.1981 32.2701 -16.2686 -60.9373 -16.2686 16.7502 GPRESSAVG: 2107600 -34.8292 10.5107 -60.5664 10.4358 32.1314 -17.2925 -63.141 -14.5569 17.3389 TIMING: 2107600 CPU: 6273.41, 0.00296618/step Wall: 6273.41, 0.00296618/step, 2.38316 hours remaining, 205.996094 MB of memory in use. ENERGY: 2107600 757.1966 2115.0207 1923.6883 100.9078 -205910.7677 17847.8861 0.0000 0.0000 34197.3567 -148968.7115 298.6540 -183166.0682 -148878.2657 299.2851 -22.7013 10.4799 559800.9477 4.9785 4.8804 PRESSURE: 2107800 -48.0616 -37.92 125.214 -37.9191 -111.399 -52.7907 125.214 -52.7911 94.5567 GPRESSURE: 2107800 -37.4999 -38.4028 154.1 -43.4859 -78.1884 -24.6549 139.564 -112.423 142.377 PRESSAVG: 2107800 -8.0685 19.6352 -52.7533 19.6351 -4.19554 16.2146 -52.7533 16.2146 14.5963 GPRESSAVG: 2107800 -6.0743 18.9142 -51.7987 19.265 -5.51166 17.7343 -53.3813 14.3401 13.931 TIMING: 2107800 CPU: 6274, 0.00296598/step Wall: 6274, 0.00296598/step, 2.38284 hours remaining, 205.996094 MB of memory in use. ENERGY: 2107800 747.3360 2144.3452 1962.2565 112.6628 -205860.5048 17697.6064 0.0000 0.0000 34173.3783 -149022.9196 298.4446 -183196.2979 -148928.1826 299.2299 -21.6347 8.8963 559590.4868 0.7774 0.7817 PRESSURE: 2108000 195.341 112.211 156.854 112.212 226.103 58.3424 156.854 58.3423 -107.38 GPRESSURE: 2108000 212.705 78.9076 135.611 114.516 240.36 12.049 146.423 152.611 -47.5691 PRESSAVG: 2108000 48.1442 27.0092 -26.5201 27.0093 -43.138 11.5647 -26.5202 11.5646 -4.86006 GPRESSAVG: 2108000 46.9961 25.0024 -27.5615 27.701 -42.8121 12.986 -24.3589 12.5781 -3.84652 TIMING: 2108000 CPU: 6274.59, 0.0029712/step Wall: 6274.59, 0.0029712/step, 2.38687 hours remaining, 205.996094 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: 2108000 730.5633 2151.7002 1920.0904 125.4189 -206449.9006 17917.9064 0.0000 0.0000 34488.1749 -149116.0465 301.1938 -183604.2214 -149027.9622 299.8323 104.6879 135.1652 557765.9674 0.0487 0.1125 PRESSURE: 2108200 -69.5962 45.3871 -72.718 45.387 131.556 -213.895 -72.7183 -213.896 -34.3889 GPRESSURE: 2108200 -37.0925 58.509 -96.0659 39.8608 176.153 -299.204 -80.1713 -202.389 -17.8283 PRESSAVG: 2108200 22.4125 24.1348 -27.5674 24.1348 -25.1965 -21.0574 -27.5675 -21.0574 9.05713 GPRESSAVG: 2108200 23.6364 26.5389 -28.1544 25.0502 -25.2337 -22.2637 -27.3125 -22.0993 7.84322 TIMING: 2108200 CPU: 6275.19, 0.0029818/step Wall: 6275.19, 0.0029818/step, 2.39521 hours remaining, 205.996094 MB of memory in use. ENERGY: 2108200 707.1981 2134.6795 1920.0540 112.1259 -206369.8358 17879.2710 0.0000 0.0000 34382.6905 -149233.8167 300.2726 -183616.5072 -149137.1015 299.5105 9.1904 40.4108 558579.2263 2.0911 2.0820 LDB: ============= START OF LOAD BALANCING ============== 6278.62 LDB: ============== END OF LOAD BALANCING =============== 6278.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6278.62 LDB: ============= START OF LOAD BALANCING ============== 6278.92 LDB: Largest compute 4847 load 0.024465 is 20.7% of average load 0.118037 LDB: Average compute 0.001707 is 1.4% of average load 0.118037 LDB: TIME 6278.92 LOAD: AVG 0.118037 MAX 0.201556 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.023 MB LDB: TIME 6278.92 LOAD: AVG 0.118037 MAX 0.201556 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.023 MB LDB: TIME 6278.92 LOAD: AVG 0.118037 MAX 0.201556 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.023 MB LDB: ============== END OF LOAD BALANCING =============== 6278.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6278.93 PRESSURE: 2108400 -87.4281 -87.5822 12.9568 -87.5817 41.4964 -121.706 12.9571 -121.705 -278.376 GPRESSURE: 2108400 -80.3515 -104.426 16.6852 -92.0052 65.4939 -62.6691 -51.5315 -197.059 -212.829 PRESSAVG: 2108400 25.0508 -0.164638 -28.8271 -0.164786 15.2603 -22.096 -28.8271 -22.0959 -16.4193 GPRESSAVG: 2108400 23.7564 1.42271 -26.8568 -4.27203 14.2766 -24.3037 -32.4082 -20.0882 -14.294 TIMING: 2108400 CPU: 6275.8, 0.00304153/step Wall: 6275.8, 0.00304153/step, 2.44303 hours remaining, 204.714844 MB of memory in use. ENERGY: 2108400 789.0681 2126.2122 1922.3437 98.0748 -205980.6332 17583.1266 0.0000 0.0000 34184.3581 -149277.4496 298.5405 -183461.8077 -149176.7629 299.0047 -108.1026 -75.8955 557641.5191 7.9640 7.9130 PRESSURE: 2108600 -43.5938 70.7037 95.5912 70.7033 9.74376 154.072 95.592 154.072 -114.309 GPRESSURE: 2108600 4.7932 103.704 40.766 -3.29911 15.0499 113.213 131.788 208.52 -59.9085 PRESSAVG: 2108600 46.1733 -13.4511 28.2171 -13.4511 14.7131 -4.03171 28.2171 -4.03165 -46.9524 GPRESSAVG: 2108600 46.0007 -15.7209 27.5059 -11.6212 15.7746 -3.69308 30.0969 -3.6584 -47.4358 TIMING: 2108600 CPU: 6276.39, 0.00297339/step Wall: 6276.39, 0.00297339/step, 2.38812 hours remaining, 204.714844 MB of memory in use. ENERGY: 2108600 722.7179 2123.2666 1895.5226 114.7874 -206292.9665 17619.2241 0.0000 0.0000 34447.3244 -149370.1235 300.8371 -183817.4479 -149270.5717 299.1783 -49.3864 -13.3551 557146.3829 4.6447 4.7798 PRESSURE: 2108800 160.366 156.003 -35.0546 156.003 13.9312 30.4115 -35.0557 30.4111 -9.07118 GPRESSURE: 2108800 243.425 117.275 -36.275 106.108 46.3771 -3.30859 -90.0291 76.0702 -15.9498 PRESSAVG: 2108800 63.5401 -8.2335 -55.6878 -8.23332 -50.1164 24.0202 -55.6879 24.0202 8.66411 GPRESSAVG: 2108800 62.7899 -8.66778 -54.2481 -6.00136 -49.6125 25.7206 -57.3216 21.5557 8.6459 TIMING: 2108800 CPU: 6276.99, 0.00298034/step Wall: 6276.99, 0.00298034/step, 2.39354 hours remaining, 204.714844 MB of memory in use. ENERGY: 2108800 739.9789 2082.2948 1929.6928 115.8029 -206173.1200 17873.1633 0.0000 0.0000 34149.2369 -149282.9504 298.2338 -183432.1874 -149194.0931 298.3181 55.0752 91.2843 557407.9827 7.3626 7.2745 PRESSURE: 2109000 -104.689 -0.750874 -59.6124 -0.751147 -72.1551 12.4694 -59.613 12.4699 -62.316 GPRESSURE: 2109000 -54.7788 52.9695 -115.242 16.3476 -100.586 23.9157 -38.598 24.5439 17.8879 PRESSAVG: 2109000 57.9955 25.4604 5.31788 25.4605 -85.7576 -17.6449 5.31785 -17.645 8.04584 GPRESSAVG: 2109000 59.0287 27.4047 3.48195 23.7684 -86.9996 -17.6689 6.11653 -16.8806 8.59283 TIMING: 2109000 CPU: 6277.58, 0.00296219/step Wall: 6277.58, 0.00296219/step, 2.3788 hours remaining, 204.714844 MB of memory in use. ENERGY: 2109000 764.7803 2103.1277 1943.1338 109.2378 -206226.3914 17777.8299 0.0000 0.0000 34068.6929 -149459.5888 297.5304 -183528.2817 -149361.3505 298.2571 -79.7200 -45.8258 556927.9704 -6.5721 -6.4594 PRESSURE: 2109200 -136.657 -12.9123 6.0829 -12.9119 -284.201 45.4795 6.08237 45.4792 -38.0699 GPRESSURE: 2109200 -108.938 -5.60607 7.17565 -87.3369 -235.156 -2.44157 -84.5983 26.3191 -11.8075 PRESSAVG: 2109200 45.593 -11.4195 12.7837 -11.4196 -27.127 -10.1078 12.7837 -10.1077 -16.1858 GPRESSAVG: 2109200 44.3718 -12.0862 13.0428 -11.6673 -26.0422 -11.0355 13.2448 -9.62606 -16.2112 TIMING: 2109200 CPU: 6278.17, 0.00296137/step Wall: 6278.17, 0.00296137/step, 2.37798 hours remaining, 204.714844 MB of memory in use. ENERGY: 2109200 722.5455 2099.2911 1927.8576 104.3754 -206087.8030 17652.0551 0.0000 0.0000 34014.9385 -149566.7398 297.0609 -183581.6783 -149469.8438 298.1676 -152.9757 -118.6337 556920.4574 0.7601 0.7061 PRESSURE: 2109400 -212.456 88.105 -69.0134 88.1051 -16.7981 72.608 -69.0142 72.6079 -217.868 GPRESSURE: 2109400 -223.131 132.763 -51.6264 52.4372 33.3728 39.4485 -109.154 185.032 -171.88 PRESSAVG: 2109400 -32.9085 -2.64877 17.2851 -2.64872 76.3471 -4.04437 17.2851 -4.04438 -14.1713 GPRESSAVG: 2109400 -32.3189 -2.48041 17.7468 -2.60983 76.053 -4.05726 16.7411 -4.36501 -14.4556 TIMING: 2109400 CPU: 6278.76, 0.00295005/step Wall: 6278.76, 0.00295005/step, 2.36873 hours remaining, 204.714844 MB of memory in use. ENERGY: 2109400 806.5976 2113.2550 1913.8490 114.4028 -206396.9349 17734.5657 0.0000 0.0000 34167.0559 -149547.2090 298.3894 -183714.2649 -149446.6673 298.4171 -149.0407 -120.5463 557293.7674 9.7558 9.7595 PRESSURE: 2109600 307.015 9.23685 -16.4007 9.23526 270.352 56.8656 -16.4012 56.865 -0.473976 GPRESSURE: 2109600 344.409 -45.8374 -16.7305 20.6433 285.272 1.60926 -39.8955 107.634 31.5301 PRESSAVG: 2109600 67.1272 -10.5941 38.1303 -10.5941 -5.07334 24.7027 38.1304 24.7028 -65.2253 GPRESSAVG: 2109600 67.4951 -10.7579 38.6925 -9.46321 -5.55737 24.2 38.0211 25.577 -65.1746 TIMING: 2109600 CPU: 6279.36, 0.00296098/step Wall: 6279.36, 0.00296098/step, 2.37734 hours remaining, 204.714844 MB of memory in use. ENERGY: 2109600 764.6165 2105.5070 1920.4337 122.9626 -207081.6466 18330.8141 0.0000 0.0000 34239.7506 -149597.5621 299.0243 -183837.3127 -149503.1833 298.1803 192.2977 220.4036 557362.9066 -1.0572 -1.0790 PRESSURE: 2109800 -36.0079 58.9892 22.9731 58.9895 125.433 -50.5752 22.9721 -50.5744 93.1015 GPRESSURE: 2109800 33.0172 14.4834 10.6182 121.578 133.45 35.9506 66.1026 -53.3756 95.006 PRESSAVG: 2109800 46.2823 2.60937 -11.4357 2.60938 -1.97633 45.999 -11.4357 45.9991 -51.4602 GPRESSAVG: 2109800 47.1093 2.97564 -12.988 -0.166871 -3.33194 47.1367 -9.14993 43.999 -51.5669 TIMING: 2109800 CPU: 6279.95, 0.00295941/step Wall: 6279.95, 0.00295941/step, 2.37592 hours remaining, 204.714844 MB of memory in use. ENERGY: 2109800 761.4861 2100.7450 1930.7286 118.2969 -206859.9504 18136.8015 0.0000 0.0000 34085.8115 -149726.0808 297.6799 -183811.8923 -149632.0120 298.4528 60.8423 87.1577 557591.2093 -2.3848 -2.5965 PRESSURE: 2110000 10.1715 6.66158 5.97455 6.66159 226.223 -26.6483 5.9749 -26.6506 119.217 GPRESSURE: 2110000 84.6916 48.6259 36.3514 81.3685 255.941 55.2939 7.75837 -38.5039 111.384 PRESSAVG: 2110000 26.4589 39.2161 -7.78916 39.2162 39.1147 -7.24912 -7.78913 -7.24913 -37.743 GPRESSAVG: 2110000 26.5846 39.4232 -5.61471 40.2095 39.7704 -6.71829 -11.7577 -8.15972 -39.0708 TIMING: 2110000 CPU: 6280.54, 0.00296462/step Wall: 6280.54, 0.00296462/step, 2.37993 hours remaining, 204.714844 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: 2110000 763.4288 2090.4280 1912.7485 92.4782 -206631.9908 18004.9600 0.0000 0.0000 34145.3026 -149622.6445 298.1994 -183767.9471 -149520.7265 297.5214 118.5374 150.6723 557793.2475 9.2769 9.0947 PRESSURE: 2110200 -26.7246 -109.922 -149.559 -109.921 21.1845 -203.688 -149.56 -203.69 32.8607 GPRESSURE: 2110200 59.1023 -145.703 -218.46 -24.0993 24.6095 -113.86 -241.427 -257.861 48.9063 PRESSAVG: 2110200 -39.6534 -8.24446 1.64145 -8.24436 41.811 -36.5727 1.64152 -36.5728 31.9395 GPRESSAVG: 2110200 -40.5896 -8.09907 -0.116823 -7.64398 41.815 -36.4894 3.96143 -34.2154 33.326 TIMING: 2110200 CPU: 6281.14, 0.00297722/step Wall: 6281.14, 0.00297722/step, 2.38988 hours remaining, 204.714844 MB of memory in use. ENERGY: 2110200 735.5976 2165.3458 1948.1118 116.9012 -206620.5676 17892.3987 0.0000 0.0000 34182.7409 -149579.4716 298.5264 -183762.2124 -149483.1393 298.3350 9.1069 44.2060 558484.1430 11.3657 11.5171 PRESSURE: 2110400 -81.8543 -161.765 -20.1669 -161.765 -150.868 138.851 -20.1678 138.851 -244.734 GPRESSURE: 2110400 -47.527 -129.593 24.1322 -120.125 -76.6029 168.258 44.2779 110.069 -258.134 PRESSAVG: 2110400 -30.235 -62.0021 13.4032 -62.002 47.2866 17.8239 13.4032 17.8237 -7.36187 GPRESSAVG: 2110400 -30.3006 -62.5753 13.855 -61.6089 47.7457 17.4647 13.5022 17.207 -7.47248 TIMING: 2110400 CPU: 6281.73, 0.00296316/step Wall: 6281.73, 0.00296316/step, 2.37843 hours remaining, 204.714844 MB of memory in use. ENERGY: 2110400 728.9775 2152.2415 1964.5787 104.9044 -206196.3239 17497.2931 0.0000 0.0000 33957.8692 -149790.4595 296.5625 -183748.3287 -149691.4875 297.6185 -159.1520 -127.4214 558215.2214 3.2299 3.3242 PRESSURE: 2110600 -11.997 -142.231 -41.3187 -142.231 224.076 66.526 -41.3183 66.5265 0.688192 GPRESSURE: 2110600 81.3222 -272.93 -81.0554 -76.2569 231.195 98.5265 -52.7793 55.125 3.90583 PRESSAVG: 2110600 -46.9385 -31.5027 51.9672 -31.5026 14.2996 -43.9166 51.9673 -43.9166 21.1402 GPRESSAVG: 2110600 -46.6729 -32.1419 52.7141 -31.9827 14.4973 -42.4861 50.8136 -44.4005 20.4511 TIMING: 2110600 CPU: 6282.32, 0.00294391/step Wall: 6282.32, 0.00294391/step, 2.36281 hours remaining, 204.714844 MB of memory in use. ENERGY: 2110600 699.2390 2103.7369 1909.4392 115.5226 -206590.0983 17884.5626 0.0000 0.0000 34283.8741 -149593.7238 299.4096 -183877.5979 -149496.4864 297.9529 70.9225 105.4742 556524.7708 -3.8329 -3.9082 PRESSURE: 2110800 15.299 -95.4554 6.87731 -95.4558 430.182 75.2103 6.87692 75.2098 30.3934 GPRESSURE: 2110800 -8.6709 -115.523 76.0538 -124.001 450.191 28.3407 -11.0133 46.2972 124.726 PRESSAVG: 2110800 -18.1915 3.11491 50.8164 3.11486 -5.18531 18.4524 50.8164 18.4523 75.5217 GPRESSAVG: 2110800 -18.9585 5.42211 50.9853 1.89446 -5.42312 16.6426 52.4198 19.1087 76.0508 TIMING: 2110800 CPU: 6282.91, 0.00295272/step Wall: 6282.91, 0.00295272/step, 2.36972 hours remaining, 204.714844 MB of memory in use. ENERGY: 2110800 740.1836 2108.5962 1920.2095 112.9383 -206508.9603 17873.7478 0.0000 0.0000 34226.9325 -149526.3525 298.9123 -183753.2851 -149434.7429 299.0249 158.6248 188.7487 555263.9335 17.3816 17.2231 PRESSURE: 2111000 -55.0472 64.2152 -80.0138 64.2135 -153.618 -123.593 -80.0135 -123.591 -194.968 GPRESSURE: 2111000 -71.1448 148.503 -163.671 -0.466483 -90.088 -111.901 -23.4071 -130.364 -132.619 PRESSAVG: 2111000 -54.9919 -11.3711 -24.1816 -11.3711 -25.651 -36.007 -24.1816 -36.0069 25.5209 GPRESSAVG: 2111000 -55.4625 -12.4496 -26.2949 -12.3734 -25.4993 -38.3742 -24.5115 -34.7763 25.318 TIMING: 2111000 CPU: 6283.5, 0.00294309/step Wall: 6283.5, 0.00294309/step, 2.36183 hours remaining, 204.714844 MB of memory in use. ENERGY: 2111000 776.5404 2086.0657 1926.6032 104.2773 -206060.4017 17445.3258 0.0000 0.0000 34154.5383 -149567.0510 298.2801 -183721.5893 -149470.2778 298.8150 -134.5444 -97.9506 555471.2287 -18.3740 -18.5479 PRESSURE: 2111200 -56.0231 -78.0335 -30.5439 -78.0334 -172.109 -74.2058 -30.5443 -74.2062 43.4256 GPRESSURE: 2111200 -0.687574 -90.2654 -88.5285 -50.9853 -155.977 -25.4668 60.4941 11.5843 55.8148 PRESSAVG: 2111200 28.8064 -17.4964 -24.4214 -17.4965 46.407 -20.1306 -24.4214 -20.1306 -76.1881 GPRESSAVG: 2111200 27.3157 -15.2405 -23.4349 -17.1054 46.6365 -17.8214 -25.4179 -20.1649 -75.0251 TIMING: 2111200 CPU: 6284.09, 0.00296805/step Wall: 6284.09, 0.00296805/step, 2.38169 hours remaining, 204.714844 MB of memory in use. ENERGY: 2111200 739.9104 2102.0306 1944.3024 110.3105 -206186.2344 17536.1832 0.0000 0.0000 34260.7693 -149492.7281 299.2078 -183753.4974 -149392.4270 298.2710 -61.5687 -33.6167 555635.3829 -0.3249 -0.3576 PRESSURE: 2111400 36.3026 -79.3492 217.245 -79.3481 213.116 -107.884 217.246 -107.885 -90.0515 GPRESSURE: 2111400 50.8785 -38.8905 298.965 -136.706 229.212 -154.025 151.876 -191.417 -16.5731 PRESSAVG: 2111400 -26.0151 -17.0701 2.98617 -17.07 0.28776 -5.81239 2.9862 -5.81257 47.9429 GPRESSAVG: 2111400 -24.4501 -18.9074 2.61448 -16.6159 -0.351184 -5.02998 3.82568 -7.02916 46.8416 TIMING: 2111400 CPU: 6284.68, 0.00295024/step Wall: 6284.68, 0.00295024/step, 2.36724 hours remaining, 204.714844 MB of memory in use. ENERGY: 2111400 770.8496 2122.2034 1926.9691 115.9343 -206501.6570 18017.4143 0.0000 0.0000 34092.3960 -149455.8904 297.7374 -183548.2864 -149356.5872 298.7956 53.1222 87.8393 556392.3669 7.4052 7.3468 PRESSURE: 2111600 -94.6643 64.5871 -24.8867 64.5865 -358.164 38.6287 -24.8875 38.6288 -252.688 GPRESSURE: 2111600 -89.7593 16.7932 -21.8831 12.4367 -259.15 10.5392 29.7443 17.5474 -259.896 PRESSAVG: 2111600 -3.68558 4.86502 -31.9315 4.86497 5.58873 -30.7585 -31.9316 -30.7586 3.04196 GPRESSAVG: 2111600 -3.86225 3.33877 -32.47 7.19755 5.13378 -32.6891 -32.0914 -29.7131 3.97089 TIMING: 2111600 CPU: 6285.27, 0.00295754/step Wall: 6285.27, 0.00295754/step, 2.37294 hours remaining, 204.714844 MB of memory in use. ENERGY: 2111600 755.3459 2099.1737 1913.2281 127.5075 -206029.1651 17470.2205 0.0000 0.0000 34345.4942 -149318.1952 299.9477 -183663.6894 -149221.3292 298.5675 -235.1723 -202.9351 557536.0601 1.6484 1.7475 PRESSURE: 2111800 229.503 215.224 -125.631 215.225 130.081 310.244 -125.631 310.245 -96.7443 GPRESSURE: 2111800 219.934 168.674 -188.84 258.343 148.339 271.833 -144.35 374.833 1.53806 PRESSAVG: 2111800 9.84593 65.5492 -30.5253 65.5493 18.4122 16.458 -30.5253 16.4579 -56.5977 GPRESSAVG: 2111800 10.4257 66.6481 -30.3102 65.0587 17.5585 17.7553 -31.7736 16.5073 -55.8662 TIMING: 2111800 CPU: 6285.87, 0.00300442/step Wall: 6285.87, 0.00300442/step, 2.41038 hours remaining, 204.714844 MB of memory in use. ENERGY: 2111800 749.8965 2074.7889 1936.2340 125.4563 -206865.5318 18104.3085 0.0000 0.0000 34251.9115 -149622.9362 299.1305 -183874.8477 -149533.8001 298.6554 87.6132 123.2703 556685.7735 -9.4465 -9.2940 PRESSURE: 2112000 -22.0991 -23.335 -60.4245 -23.3346 -247.439 169.904 -60.4242 169.905 -96.1063 GPRESSURE: 2112000 -15.8672 54.2584 -53.0244 35.9557 -217.994 220.59 -68.3352 84.56 -29.0034 PRESSAVG: 2112000 54.3352 50.409 -23.6418 50.409 -37.0108 18.9689 -23.6418 18.969 -39.5368 GPRESSAVG: 2112000 53.403 49.5252 -21.9714 49.8526 -36.2817 17.8697 -23.6797 18.5003 -40.101 TIMING: 2112000 CPU: 6286.47, 0.00298661/step Wall: 6286.47, 0.00298661/step, 2.39593 hours remaining, 204.714844 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: 2112000 759.7406 2114.9529 1948.9644 112.4202 -206530.6524 17736.3086 0.0000 0.0000 34136.1623 -149722.1033 298.1196 -183858.2656 -149623.4963 297.8119 -121.8816 -87.6214 556385.4972 -7.4042 -7.6599 PRESSURE: 2112200 180.368 8.72859 31.801 8.729 200.603 121.709 31.7998 121.709 -96.2502 GPRESSURE: 2112200 149.596 52.629 21.8548 -24.2029 237.137 56.3384 65.8996 177.354 -10.321 PRESSAVG: 2112200 93.6548 17.2415 -61.1249 17.2415 0.390282 10.584 -61.1249 10.584 -50.236 GPRESSAVG: 2112200 94.6125 21.0136 -61.8593 16.724 1.41101 10.5698 -59.9883 10.4642 -51.8805 TIMING: 2112200 CPU: 6287.06, 0.00296447/step Wall: 6287.06, 0.00296447/step, 2.378 hours remaining, 204.714844 MB of memory in use. ENERGY: 2112200 747.6233 2131.7519 1929.4043 110.7982 -206749.3033 18141.4863 0.0000 0.0000 34091.1383 -149597.1009 297.7264 -183688.2392 -149505.1876 298.0233 94.9069 125.4708 558434.9321 14.6030 14.7143 LDB: ============= START OF LOAD BALANCING ============== 6290.49 LDB: ============== END OF LOAD BALANCING =============== 6290.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6290.49 LDB: ============= START OF LOAD BALANCING ============== 6290.79 LDB: Largest compute 4849 load 0.025794 is 21.8% of average load 0.118065 LDB: Average compute 0.001720 is 1.5% of average load 0.118065 LDB: TIME 6290.8 LOAD: AVG 0.118065 MAX 0.204961 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.02 MB LDB: TIME 6290.8 LOAD: AVG 0.118065 MAX 0.204961 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.223 MB LDB: TIME 6290.8 LOAD: AVG 0.118065 MAX 0.204961 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.223 MB LDB: ============== END OF LOAD BALANCING =============== 6290.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6290.8 PRESSURE: 2112400 -200.046 -55.0194 -121.867 -55.0197 -123.917 -121.296 -121.868 -121.295 -34.8313 GPRESSURE: 2112400 -144.867 -61.025 -105.138 -125.467 -103.017 -69.5539 -46.8415 -61.4831 -13.4176 PRESSAVG: 2112400 53.6046 -7.74556 4.82188 -7.74554 -21.5259 3.28559 4.8219 3.28571 -23.9207 GPRESSAVG: 2112400 52.011 -9.40275 5.56055 -8.45731 -21.9471 4.66347 2.82417 3.06914 -21.6858 TIMING: 2112400 CPU: 6287.68, 0.00306315/step Wall: 6287.68, 0.00306315/step, 2.45699 hours remaining, 205.742188 MB of memory in use. ENERGY: 2112400 760.2509 2110.5240 1947.2808 122.2766 -206348.5571 17689.9906 0.0000 0.0000 34084.7013 -149633.5329 297.6702 -183718.2342 -149533.9099 297.9221 -119.5981 -87.1003 558198.5686 2.7193 2.7927 PRESSURE: 2112600 -187.613 25.9024 -126.702 25.9021 -463.275 22.345 -126.703 22.3445 -133.298 GPRESSURE: 2112600 -157.597 58.5378 -166.313 39.7992 -419.276 -50.2967 -98.9988 55.3895 -106.401 PRESSAVG: 2112600 41.044 27.2361 -4.18545 27.2361 -34.7807 -2.45792 -4.18548 -2.45798 -42.5633 GPRESSAVG: 2112600 42.6679 26.2043 -3.56555 27.6996 -35.2899 -5.09619 -4.1399 -1.24361 -43.7626 TIMING: 2112600 CPU: 6288.27, 0.00296667/step Wall: 6288.27, 0.00296667/step, 2.37944 hours remaining, 205.945312 MB of memory in use. ENERGY: 2112600 759.6460 2099.3217 1924.3567 117.1887 -205757.4213 17362.1102 0.0000 0.0000 33898.9730 -149595.8251 296.0482 -183494.7981 -149506.3835 298.0160 -261.3952 -227.7581 559152.2250 -12.1000 -12.1282 PRESSURE: 2112800 -44.6187 180.265 9.04056 180.264 34.8652 36.5856 9.0404 36.5858 -27.1297 GPRESSURE: 2112800 -17.0494 179.382 44.6326 86.0018 74.6878 120.898 -74.2526 7.5269 -2.74132 PRESSAVG: 2112800 37.7894 -65.0502 2.49963 -65.0503 25.832 -42.5371 2.49961 -42.5371 -51.3477 GPRESSAVG: 2112800 36.0825 -67.151 1.67465 -65.3254 26.202 -40.8698 2.30299 -43.4395 -50.0283 TIMING: 2112800 CPU: 6288.86, 0.00296455/step Wall: 6288.86, 0.00296455/step, 2.37757 hours remaining, 205.945312 MB of memory in use. ENERGY: 2112800 716.7624 2079.3354 1945.8322 107.5453 -206556.3590 17923.5144 0.0000 0.0000 34114.3690 -149669.0002 297.9293 -183783.3692 -149576.9953 298.1210 -12.2944 18.2990 557795.6211 4.0912 4.0854 PRESSURE: 2113000 -268.366 121.713 -1.43603 121.713 -171.372 30.995 -1.43669 30.9948 -169.303 GPRESSURE: 2113000 -220.153 149.558 3.73049 96.737 -199.267 -3.6086 -39.0989 76.1388 -91.8376 PRESSAVG: 2113000 76.6489 17.6098 34.1232 17.6099 -40.9565 -64.2893 34.1232 -64.2893 -15.4621 GPRESSAVG: 2113000 78.2733 20.2027 32.4841 18.8139 -41.516 -66.0546 35.4957 -64.3194 -16.864 TIMING: 2113000 CPU: 6289.46, 0.0029839/step Wall: 6289.46, 0.0029839/step, 2.39292 hours remaining, 205.945312 MB of memory in use. ENERGY: 2113000 782.0455 2087.8354 1952.4630 113.2846 -206382.8675 17721.4301 0.0000 0.0000 34086.1700 -149639.6389 297.6830 -183725.8089 -149547.4110 297.9144 -203.0141 -170.4193 557798.5073 6.7434 6.6311 PRESSURE: 2113200 227.222 79.3594 -177.619 79.3591 -175.622 97.5896 -177.617 97.5909 91.0338 GPRESSURE: 2113200 290.716 89.5597 -61.8893 81.2797 -192.102 109.792 -190.617 96.2577 139.202 PRESSAVG: 2113200 60.3363 -29.4474 -72.9449 -29.4473 -56.6602 29.2025 -72.9448 29.2026 8.14899 GPRESSAVG: 2113200 59.5535 -29.8324 -72.8956 -28.8082 -55.5112 29.475 -72.4603 29.5889 7.36792 TIMING: 2113200 CPU: 6290.05, 0.00297707/step Wall: 6290.05, 0.00297707/step, 2.38728 hours remaining, 205.945312 MB of memory in use. ENERGY: 2113200 739.5912 2092.3298 1935.3808 119.1002 -206929.9739 17962.1885 0.0000 0.0000 34487.7785 -149593.6049 301.1903 -184081.3834 -149493.6320 298.0190 47.5447 79.2721 557454.0341 3.9417 3.8034 PRESSURE: 2113400 -395.551 79.6248 31.9066 79.6252 -21.534 -68.0982 31.9069 -68.0991 -2.65632 GPRESSURE: 2113400 -317.523 58.0624 -28.0776 37.9591 -4.85356 -34.9722 -55.5733 -151.371 -8.31882 PRESSAVG: 2113400 24.5705 10.8968 -64.8518 10.8969 -26.1237 -7.90692 -64.8518 -7.90691 27.5806 GPRESSAVG: 2113400 23.9727 11.5278 -62.9333 9.05123 -26.558 -5.38966 -67.2143 -8.50891 28.9001 TIMING: 2113400 CPU: 6290.65, 0.00300182/step Wall: 6290.65, 0.00300182/step, 2.40696 hours remaining, 205.945312 MB of memory in use. ENERGY: 2113400 733.6178 2112.8010 1948.9589 112.2664 -206295.1684 17619.1958 0.0000 0.0000 34123.1659 -149645.1626 298.0061 -183768.3284 -149543.7063 298.4873 -139.9137 -110.2319 557357.5812 8.6758 8.7716 PRESSURE: 2113600 -46.9949 -139.184 -11.719 -139.185 -235.905 2.38214 -11.7178 2.38166 -94.6802 GPRESSURE: 2113600 -23.7842 -166.983 -41.953 -52.6224 -181.368 26.5774 -102.019 -54.6799 -69.6465 PRESSAVG: 2113600 -46.0788 31.4593 -67.7816 31.4592 61.6742 33.2759 -67.7816 33.276 39.4685 GPRESSAVG: 2113600 -46.0769 31.4133 -66.229 30.629 62.3242 33.457 -69.8831 31.9025 38.8854 TIMING: 2113600 CPU: 6291.25, 0.00298748/step Wall: 6291.25, 0.00298748/step, 2.3953 hours remaining, 205.945312 MB of memory in use. ENERGY: 2113600 756.2034 2105.7580 1930.7233 107.8608 -206182.7841 17468.4247 0.0000 0.0000 34121.8243 -149691.9896 297.9944 -183813.8139 -149596.4085 298.1930 -125.8600 -91.5995 555306.6963 18.3547 18.3776 PRESSURE: 2113800 -169.921 -165.891 153.838 -165.89 -8.08007 -8.01613 153.836 -8.01668 276.247 GPRESSURE: 2113800 -117.006 -181.96 120.536 -124.004 28.6934 14.574 97.0726 -25.1232 281.926 PRESSAVG: 2113800 -8.7413 -2.41261 -20.3008 -2.41276 -36.6681 -7.86616 -20.3009 -7.86604 45.6786 GPRESSAVG: 2113800 -9.22907 -4.02264 -21.0539 -0.217772 -36.1481 -8.26173 -16.8543 -9.01164 45.3438 TIMING: 2113800 CPU: 6291.85, 0.00299661/step Wall: 6291.85, 0.00299661/step, 2.40245 hours remaining, 205.945312 MB of memory in use. ENERGY: 2113800 708.3595 2120.6896 1909.8640 119.0144 -206086.2734 17765.0827 0.0000 0.0000 33904.2402 -149559.0231 296.0942 -183463.2633 -149469.0507 297.8800 32.7484 64.5378 556545.6390 0.0897 -0.0111 PRESSURE: 2114000 -16.6307 52.274 88.2464 52.2748 13.8762 -135.368 88.2474 -135.367 -161.541 GPRESSURE: 2114000 11.1744 75.3541 39.6998 41.813 64.7746 -183.005 33.4537 -66.1148 -140.207 PRESSAVG: 2114000 -9.21586 -48.9263 -22.4233 -48.9263 67.3289 -30.5099 -22.4234 -30.5099 -4.57669 GPRESSAVG: 2114000 -8.38222 -46.3572 -24.4568 -51.9476 66.6452 -31.2917 -21.9594 -27.775 -4.6563 TIMING: 2114000 CPU: 6292.45, 0.00299975/step Wall: 6292.45, 0.00299975/step, 2.4048 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: 2114000 752.8838 2074.9929 1925.4808 114.9830 -206176.8960 17708.2641 0.0000 0.0000 34202.8879 -149397.4035 298.7023 -183600.2914 -149309.8392 298.8289 -54.7650 -21.4192 557545.5910 17.8455 17.8689 PRESSURE: 2114200 -290.872 -127.309 -46.6426 -127.31 -16.8488 -59.4623 -46.6432 -59.4611 -174.87 GPRESSURE: 2114200 -300.421 -134.838 2.28508 -38.1986 52.8273 -65.2294 27.6163 -61.5922 -143.433 PRESSAVG: 2114200 -32.3001 5.11593 -57.9204 5.11587 13.4757 -35.5385 -57.9205 -35.5386 27.0555 GPRESSAVG: 2114200 -31.719 2.00036 -55.9103 5.87685 13.0208 -34.6448 -57.2405 -38.0129 26.6914 TIMING: 2114200 CPU: 6293.05, 0.00299455/step Wall: 6293.05, 0.00299455/step, 2.40047 hours remaining, 205.945312 MB of memory in use. ENERGY: 2114200 785.9702 2045.8859 1916.6129 96.2690 -206544.2673 17773.7718 0.0000 0.0000 34398.8121 -149526.9455 300.4134 -183925.7576 -149429.1144 298.3819 -160.8635 -130.3421 558092.1759 2.7437 2.6644 PRESSURE: 2114400 -18.4021 94.2403 22.8158 94.2414 -7.49648 155.019 22.816 155.019 107.643 GPRESSURE: 2114400 40.3216 173.553 -19.3906 49.647 1.48503 147.294 -15.9916 138.036 143.618 PRESSAVG: 2114400 -60.941 37.8457 -64.9815 37.8458 15.7827 -26.5313 -64.9815 -26.5313 9.16981 GPRESSAVG: 2114400 -62.7392 39.1849 -67.1324 37.371 15.8511 -28.6117 -64.1964 -24.8479 10.8729 TIMING: 2114400 CPU: 6293.64, 0.00296764/step Wall: 6293.64, 0.00296764/step, 2.37873 hours remaining, 205.945312 MB of memory in use. ENERGY: 2114400 773.3980 2067.9731 1942.6466 110.5466 -206402.6342 17968.8173 0.0000 0.0000 34144.3028 -149394.9497 298.1907 -183539.2525 -149295.2855 298.3288 27.2481 61.8081 556778.4303 -11.9961 -12.0050 PRESSURE: 2114600 -111.483 316.586 16.2694 316.585 -128.646 -39.2591 16.2692 -39.2583 221.586 GPRESSURE: 2114600 12.2924 270.55 102.511 295.873 -116.165 -8.78613 -38.3249 -60.9027 184.91 PRESSAVG: 2114600 -24.574 76.4894 22.097 76.4894 -24.7912 33.9504 22.097 33.9504 19.3223 GPRESSAVG: 2114600 -23.3222 75.7237 23.2791 76.5074 -23.1082 34.1474 21.6092 33.9771 17.7283 TIMING: 2114600 CPU: 6294.24, 0.00296817/step Wall: 6294.24, 0.00296817/step, 2.37899 hours remaining, 205.945312 MB of memory in use. ENERGY: 2114600 811.1394 2057.6750 1949.4792 122.8243 -205731.0421 17725.3282 0.0000 0.0000 34011.0292 -149053.5668 297.0268 -183064.5960 -148960.4530 299.0194 -6.1808 27.0123 558123.4552 -10.0143 -9.5673 PRESSURE: 2114800 -217.355 123.754 88.6782 123.755 -266.992 -55.9441 88.6787 -55.9423 -29.3066 GPRESSURE: 2114800 -167.454 62.2492 -73.5524 111.515 -214.016 -15.354 123.904 -7.05507 -41.3888 PRESSAVG: 2114800 -45.9103 57.5017 -21.7647 57.5016 22.8375 37.8217 -21.7647 37.8216 57.2413 GPRESSAVG: 2114800 -46.4652 58.1624 -23.0193 58.0601 23.3927 38.6736 -22.1688 37.3311 57.3179 TIMING: 2114800 CPU: 6294.83, 0.00297742/step Wall: 6294.83, 0.00297742/step, 2.38624 hours remaining, 205.945312 MB of memory in use. ENERGY: 2114800 726.1876 2137.8886 1921.5432 105.2498 -206143.7097 17660.9060 0.0000 0.0000 34520.4124 -149071.5220 301.4753 -183591.9345 -148974.2620 299.8774 -171.2178 -140.9528 558727.3348 11.3895 11.4151 PRESSURE: 2115000 -30.1519 34.0146 -87.2618 34.0142 178.821 110.55 -87.2626 110.549 -100.786 GPRESSURE: 2115000 18.6743 -39.1054 -162.359 88.6733 203.614 155.893 -80.5128 106.933 -79.5351 PRESSAVG: 2115000 8.72038 -5.27186 -41.3206 -5.27175 -31.5584 36.8374 -41.3207 36.8373 46.5307 GPRESSAVG: 2115000 10.4306 -5.26508 -40.5435 -3.76058 -32.4602 35.2607 -41.2224 37.6376 46.2416 TIMING: 2115000 CPU: 6295.43, 0.00298839/step Wall: 6295.43, 0.00298839/step, 2.39486 hours remaining, 205.945312 MB of memory in use. ENERGY: 2115000 778.9148 2084.6993 1941.3011 122.2156 -206314.4859 18097.9730 0.0000 0.0000 34184.9533 -149104.4288 298.5457 -183289.3821 -149003.3993 300.0651 15.9611 47.5844 557205.7016 7.8976 8.0707 PRESSURE: 2115200 98.3693 152.384 121.829 152.383 14.1512 -148.439 121.831 -148.439 150.317 GPRESSURE: 2115200 111.039 138.682 113.696 105.674 102.697 -129.921 113.206 -124.296 162.832 PRESSAVG: 2115200 -41.0705 -24.7144 10.0712 -24.7145 36.3612 -35.4649 10.0712 -35.4649 17.4959 GPRESSAVG: 2115200 -42.0898 -26.592 8.99975 -25.3672 36.4468 -34.9389 10.0824 -36.8074 18.5266 TIMING: 2115200 CPU: 6296.02, 0.00297047/step Wall: 6296.02, 0.00297047/step, 2.38033 hours remaining, 205.945312 MB of memory in use. ENERGY: 2115200 760.2193 2099.3299 1940.4553 130.0479 -206495.6452 17992.6964 0.0000 0.0000 34432.8184 -149140.0780 300.7104 -183572.8964 -149036.6425 298.9294 87.6125 125.5226 556592.2984 4.2622 4.2945 PRESSURE: 2115400 59.3324 -109.816 -121.179 -109.815 141.585 13.6295 -121.179 13.6305 -375.816 GPRESSURE: 2115400 13.2958 -125.232 -145.533 -144.965 204.363 85.9923 -76.6529 -26.1804 -285.022 PRESSAVG: 2115400 -47.1818 -16.2717 42.0778 -16.2717 46.7193 -35.0076 42.0778 -35.0076 -39.6123 GPRESSAVG: 2115400 -46.879 -15.2189 42.8452 -16.5445 46.8862 -34.8154 41.0865 -34.6076 -39.613 TIMING: 2115400 CPU: 6296.62, 0.00296992/step Wall: 6296.62, 0.00296992/step, 2.37973 hours remaining, 205.945312 MB of memory in use. ENERGY: 2115400 765.0176 2093.9841 1941.0475 108.4847 -206280.2704 17920.7192 0.0000 0.0000 34490.5732 -148960.4440 301.2148 -183451.0172 -148869.4108 299.7044 -58.2994 -22.4544 557854.0943 -13.3583 -13.2019 PRESSURE: 2115600 -48.6545 -142.535 -68.0011 -142.536 -84.458 168.984 -68.0004 168.984 15.9097 GPRESSURE: 2115600 -35.0277 -112.575 -20.7916 -115.495 -13.0897 111.627 -31.3023 166.28 18.7143 PRESSAVG: 2115600 24.8735 -20.2893 30.5748 -20.2894 -12.6184 -7.39396 30.5748 -7.39403 0.0946168 GPRESSAVG: 2115600 24.1522 -21.7253 31.9493 -19.8839 -12.0371 -7.52794 30.6818 -6.77276 0.0571371 TIMING: 2115600 CPU: 6297.22, 0.00300292/step Wall: 6297.22, 0.00300292/step, 2.40601 hours remaining, 205.945312 MB of memory in use. ENERGY: 2115600 762.2002 2021.9199 1971.0946 123.8035 -205731.9781 17692.3259 0.0000 0.0000 34196.5467 -148964.0873 298.6469 -183160.6340 -148867.0920 299.7379 -39.0676 -9.8010 558051.8643 4.1166 4.0574 PRESSURE: 2115800 69.6927 10.8268 78.184 10.8254 31.4028 33.0332 78.1838 33.0347 43.1557 GPRESSURE: 2115800 105.195 5.47228 33.2184 64.1656 97.5281 34.1036 125.362 -6.47179 27.9032 PRESSAVG: 2115800 29.2884 13.8848 -21.5227 13.8848 -18.3548 13.8432 -21.5227 13.843 -37.7827 GPRESSAVG: 2115800 29.8005 15.7816 -22.6516 12.717 -17.8249 12.4776 -20.9184 12.5223 -38.5464 TIMING: 2115800 CPU: 6297.82, 0.00299965/step Wall: 6297.82, 0.00299965/step, 2.40322 hours remaining, 205.945312 MB of memory in use. ENERGY: 2115800 737.5663 2108.1049 1942.7108 119.0020 -206182.5565 17865.1328 0.0000 0.0000 34426.3197 -148983.7200 300.6536 -183410.0397 -148888.7310 300.8516 48.0838 76.8755 557911.7666 -8.9497 -8.8569 PRESSURE: 2116000 75.8884 -32.0546 -389.798 -32.0551 224.771 135.582 -389.797 135.582 154.687 GPRESSURE: 2116000 102.043 -26.9853 -334.294 1.59376 292.767 77.7174 -331.029 110.609 159.62 PRESSAVG: 2116000 -22.1785 -12.3479 -62.8098 -12.3479 20.877 -37.3983 -62.8098 -37.3984 1.4449 GPRESSAVG: 2116000 -21.7918 -14.445 -60.6325 -10.4966 20.4582 -35.9253 -63.4754 -36.5936 1.98367 TIMING: 2116000 CPU: 6298.42, 0.00298619/step Wall: 6298.42, 0.00298619/step, 2.39227 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: 2116000 752.8290 2058.0653 1952.2788 109.4644 -205838.8089 17885.8596 0.0000 0.0000 34146.5628 -148933.7490 298.2104 -183080.3118 -148846.8607 300.2874 151.7822 184.8098 557608.4189 0.0478 0.2167 PRESSURE: 2116200 -243.492 137.497 266.724 137.497 61.8324 16.2758 266.724 16.2759 91.6134 GPRESSURE: 2116200 -199.289 195.653 227.818 108.178 87.9476 33.2484 210.869 -1.79189 109.845 PRESSAVG: 2116200 -70.3517 -20.9104 -59.6253 -20.9104 19.7811 37.5163 -59.6253 37.5163 49.8624 GPRESSAVG: 2116200 -70.9947 -19.9627 -63.3488 -22.5029 20.1955 36.5608 -61.1945 37.2752 50.4817 TIMING: 2116200 CPU: 6299.02, 0.00300542/step Wall: 6299.02, 0.00300542/step, 2.40751 hours remaining, 205.945312 MB of memory in use. ENERGY: 2116200 738.2691 2142.9924 1922.4361 123.2887 -206213.6961 17870.2103 0.0000 0.0000 34549.8286 -148866.6708 301.7322 -183416.4994 -148770.0641 300.1348 -30.0154 -0.4987 557958.7250 -0.2361 -0.1058 LDB: ============= START OF LOAD BALANCING ============== 6302.45 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6302.45 LDB: =============== DONE WITH MIGRATION ================ 6302.45 LDB: ============= START OF LOAD BALANCING ============== 6302.74 LDB: Largest compute 4847 load 0.024652 is 20.9% of average load 0.118104 LDB: Average compute 0.001715 is 1.5% of average load 0.118104 LDB: TIME 6302.75 LOAD: AVG 0.118104 MAX 0.201836 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 6302.75 LOAD: AVG 0.118104 MAX 0.201836 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: TIME 6302.75 LOAD: AVG 0.118104 MAX 0.201836 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: ============== END OF LOAD BALANCING =============== 6302.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6302.75 PRESSURE: 2116400 -140.33 -50.3558 -14.0696 -50.3568 188.507 34.1866 -14.0692 34.1865 -23.4884 GPRESSURE: 2116400 -149.484 -25.6468 -1.85691 -16.5151 200.47 70.1232 -90.4744 45.6974 73.3145 PRESSAVG: 2116400 -60.5405 -11.1565 -35.0794 -11.1564 27.2376 -60.1964 -35.0794 -60.1965 28.322 GPRESSAVG: 2116400 -59.9196 -9.05615 -36.3984 -10.5763 26.9993 -58.8604 -33.139 -59.3578 27.5275 TIMING: 2116400 CPU: 6299.62, 0.00302602/step Wall: 6299.62, 0.00302602/step, 2.42384 hours remaining, 205.742188 MB of memory in use. ENERGY: 2116400 813.6537 2075.0006 1946.4160 124.4829 -206349.4658 17961.9377 0.0000 0.0000 34474.5804 -148953.3945 301.0751 -183427.9748 -148852.3417 300.7709 8.2296 41.4337 557233.3802 -1.6603 -1.7976 PRESSURE: 2116600 12.5158 40.4635 -20.2919 40.4638 214.575 57.8907 -20.292 57.8909 93.7748 GPRESSURE: 2116600 -8.35725 75.5615 -20.7922 78.6949 288.135 28.1136 -14.838 58.1575 131.006 PRESSAVG: 2116600 -51.607 -10.9744 2.17583 -10.9745 17.1218 -5.03908 2.17585 -5.0391 27.68 GPRESSAVG: 2116600 -51.7689 -9.98106 3.94985 -11.45 16.1328 -5.80709 2.0285 -6.9259 28.0888 TIMING: 2116600 CPU: 6300.21, 0.00294279/step Wall: 6300.21, 0.00294279/step, 2.35701 hours remaining, 205.742188 MB of memory in use. ENERGY: 2116600 712.1028 2102.6841 1923.8071 117.4606 -205835.3270 17679.5087 0.0000 0.0000 34336.1725 -148963.5913 299.8663 -183299.7638 -148860.7954 300.3145 106.9553 136.9279 557199.1339 -2.2684 -2.5157 PRESSURE: 2116800 -142.337 29.948 146.8 29.9472 103.151 -21.5037 146.8 -21.5039 -73.7778 GPRESSURE: 2116800 -24.566 20.3471 59.9922 44.2118 71.6636 -68.3812 135.55 82.3322 -60.4176 PRESSAVG: 2116800 19.1573 -52.7714 -1.12191 -52.7714 36.9299 34.1248 -1.12193 34.1248 -3.54123 GPRESSAVG: 2116800 19.1632 -52.377 -2.05672 -52.0396 37.3238 33.9575 -0.373036 36.2501 -4.06055 TIMING: 2116800 CPU: 6300.8, 0.0029545/step Wall: 6300.8, 0.0029545/step, 2.36623 hours remaining, 205.742188 MB of memory in use. ENERGY: 2116800 733.5015 2138.5652 1918.5924 105.6008 -205427.3993 17632.8692 0.0000 0.0000 34276.1595 -148622.1107 299.3422 -182898.2702 -148526.6342 301.3171 -37.6544 -4.4400 559225.0248 17.5153 17.4755 PRESSURE: 2117000 64.1626 -122.332 124.578 -122.333 -196.122 98.8684 124.578 98.8698 -127.65 GPRESSURE: 2117000 43.8902 -148.316 66.7491 -150.506 -176.86 70.8872 84.4623 68.2501 -38.537 PRESSAVG: 2117000 60.9811 -21.2806 -31.469 -21.2806 -46.8108 66.4923 -31.469 66.4923 9.8913 GPRESSAVG: 2117000 61.8523 -22.328 -32.8362 -21.5101 -47.4054 65.6726 -31.7916 63.1078 9.94214 TIMING: 2117000 CPU: 6301.39, 0.00293335/step Wall: 6301.39, 0.00293335/step, 2.34912 hours remaining, 205.742188 MB of memory in use. ENERGY: 2117000 784.6606 2134.5214 1953.4822 111.4171 -205968.1824 17705.5812 0.0000 0.0000 34617.1209 -148661.3990 302.3199 -183278.5199 -148566.1539 301.1284 -86.5366 -57.1688 559788.2523 8.0205 8.1297 PRESSURE: 2117200 -36.4433 -130.966 10.8448 -130.965 211.956 -47.9525 10.8451 -47.9526 43.9102 GPRESSURE: 2117200 22.6958 -105.63 -30.0906 -205.027 235.165 -109.562 106.908 -81.4236 71.9629 PRESSAVG: 2117200 -64.0853 -51.206 -28.7252 -51.2061 10.7795 -1.52857 -28.7252 -1.52841 28.5667 GPRESSAVG: 2117200 -65.1635 -53.1195 -28.0558 -51.0526 11.8021 -0.603364 -28.6596 1.20086 28.7365 TIMING: 2117200 CPU: 6301.98, 0.00294902/step Wall: 6301.98, 0.00294902/step, 2.36151 hours remaining, 205.742188 MB of memory in use. ENERGY: 2117200 774.3336 2101.8370 1953.5549 110.5596 -205947.0779 17872.5253 0.0000 0.0000 34401.3603 -148732.9074 300.4356 -183134.2677 -148638.4010 300.8208 73.1411 109.9411 558008.9843 -8.2464 -8.2083 PRESSURE: 2117400 -89.6214 44.9508 64.2205 44.9521 161.188 -3.60308 64.2208 -3.60233 -10.7209 GPRESSURE: 2117400 17.0497 45.3204 114.391 30.4857 159.855 53.7314 26.8286 3.12177 -23.6306 PRESSAVG: 2117400 22.7428 -33.2034 23.7531 -33.2033 37.5174 4.96442 23.753 4.96441 7.36111 GPRESSAVG: 2117400 22.2685 -31.5733 25.2679 -33.8045 37.5955 5.00941 24.0128 4.54149 7.11985 TIMING: 2117400 CPU: 6302.57, 0.00295122/step Wall: 6302.57, 0.00295122/step, 2.36311 hours remaining, 205.742188 MB of memory in use. ENERGY: 2117400 773.1643 2120.6451 1956.9593 114.7979 -206139.6450 17910.0350 0.0000 0.0000 34436.2627 -148827.7806 300.7404 -183264.0433 -148729.4996 300.4441 20.2818 51.0912 557186.1465 22.5404 22.3279 PRESSURE: 2117600 -114.61 77.9451 -102.431 77.9443 -41.0559 80.1553 -102.434 80.1544 1.85926 GPRESSURE: 2117600 -100.468 66.9544 -136.52 75.6764 33.7569 93.1004 -74.7251 58.9655 8.06275 PRESSAVG: 2117600 -40.1131 -0.892299 -26.4726 -0.892344 67.3993 78.1793 -26.4726 78.1792 -29.6517 GPRESSAVG: 2117600 -39.8891 -2.55089 -29.7154 -0.87985 67.5717 77.7121 -25.987 78.8834 -30.6072 TIMING: 2117600 CPU: 6303.16, 0.00298285/step Wall: 6303.16, 0.00298285/step, 2.38827 hours remaining, 205.742188 MB of memory in use. ENERGY: 2117600 793.2124 2098.3550 1945.5500 107.8518 -206104.0970 17793.4670 0.0000 0.0000 34482.8787 -148882.7821 301.1476 -183365.6608 -148780.6093 300.6652 -51.2689 -19.5495 557794.0494 -0.7885 -0.9749 PRESSURE: 2117800 -97.2694 40.4382 166.516 40.4395 -103.421 -49.5791 166.517 -49.5787 -42.3538 GPRESSURE: 2117800 -83.7119 0.954207 64.3569 106.592 -49.5623 -27.0661 158.121 -3.83816 -36.6867 PRESSAVG: 2117800 -18.092 -40.7904 -15.953 -40.7905 -14.1019 -76.2728 -15.953 -76.2728 42.9393 GPRESSAVG: 2117800 -19.2714 -38.8945 -12.2472 -41.8171 -14.2621 -76.3724 -19.6168 -75.6027 43.8764 TIMING: 2117800 CPU: 6303.76, 0.0029646/step Wall: 6303.76, 0.0029646/step, 2.37349 hours remaining, 205.742188 MB of memory in use. ENERGY: 2117800 772.1643 2116.1385 1953.7795 105.8245 -206200.6699 17784.3040 0.0000 0.0000 34554.7185 -148913.7405 301.7750 -183468.4591 -148819.0747 300.4154 -81.0146 -56.6537 557057.1353 3.5818 3.4477 PRESSURE: 2118000 100.122 90.1919 -2.87281 90.1917 -169.938 72.5421 -2.87294 72.5425 -30.4325 GPRESSURE: 2118000 54.3626 117.961 -77.2972 60.4205 -103.308 159.533 29.0113 19.7649 49.2822 PRESSAVG: 2118000 -45.2753 -2.82901 36.9153 -2.82897 86.7552 -16.0022 36.9152 -16.0023 -72.981 GPRESSAVG: 2118000 -44.507 -4.29055 35.1911 -0.807494 86.317 -14.7856 40.9434 -16.8416 -73.2143 TIMING: 2118000 CPU: 6304.35, 0.00294974/step Wall: 6304.35, 0.00294974/step, 2.36143 hours remaining, 205.742188 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: 2118000 793.8487 2046.8112 1939.5327 102.6271 -205892.2942 17812.0734 0.0000 0.0000 34395.8183 -148801.5827 300.3872 -183197.4010 -148711.4248 300.8709 -33.4162 0.1123 556901.3453 -10.5004 -10.4681 PRESSURE: 2118200 -35.8508 94.7514 -46.7724 94.7509 83.7474 -46.9372 -46.7724 -46.9355 -16.2416 GPRESSURE: 2118200 3.30012 149.949 -54.6049 46.1872 95.8153 -121.531 -36.2126 -10.1911 27.0197 PRESSAVG: 2118200 -45.485 18.5874 -31.5756 18.5874 56.5534 -37.725 -31.5756 -37.725 -7.53397 GPRESSAVG: 2118200 -45.8602 17.6192 -30.7893 17.8006 56.137 -38.1607 -33.1088 -39.1723 -7.05381 TIMING: 2118200 CPU: 6304.94, 0.0029653/step Wall: 6304.94, 0.0029653/step, 2.37372 hours remaining, 205.742188 MB of memory in use. ENERGY: 2118200 741.3001 2060.5363 1926.5043 111.3605 -205857.9765 17703.1379 0.0000 0.0000 34308.9384 -149006.1989 299.6285 -183315.1374 -148909.2745 299.6338 10.5517 42.0450 557258.8597 1.1781 1.0743 PRESSURE: 2118400 232.729 -202.802 -157.89 -202.803 -88.3147 14.2973 -157.891 14.2967 -520.693 GPRESSURE: 2118400 234.713 -189.813 -157.815 -214.743 -98.8215 -39.869 -103.338 20.33 -407.481 PRESSAVG: 2118400 71.502 -29.6768 -44.6719 -29.6767 -24.2412 -16.9564 -44.6719 -16.9565 -21.6934 GPRESSAVG: 2118400 72.5116 -29.0053 -43.8455 -30.9087 -24.6644 -17.293 -45.0126 -15.8571 -21.4134 TIMING: 2118400 CPU: 6305.54, 0.0029774/step Wall: 6305.54, 0.0029774/step, 2.38325 hours remaining, 205.742188 MB of memory in use. ENERGY: 2118400 729.0475 2120.0148 1944.2693 122.5047 -205784.1748 17635.2148 0.0000 0.0000 34236.9233 -148996.2004 298.9996 -183233.1237 -148902.2218 298.5734 -125.4261 -90.5298 558758.4027 8.5224 8.8113 PRESSURE: 2118600 -163.494 141.28 -156.259 141.28 -175.641 50.1546 -156.258 50.1549 -179.435 GPRESSURE: 2118600 -144.518 113.223 -50.7285 206.58 -134.643 184.468 -158.92 -33.2468 -148.801 PRESSAVG: 2118600 45.254 12.6485 -22.4302 12.6485 -23.0765 -17.5924 -22.4303 -17.5926 -0.67615 GPRESSAVG: 2118600 46.2947 14.6113 -21.9051 12.0856 -22.475 -18.2247 -23.2351 -16.7592 -1.77792 TIMING: 2118600 CPU: 6306.13, 0.00295839/step Wall: 6306.13, 0.00295839/step, 2.36786 hours remaining, 205.742188 MB of memory in use. ENERGY: 2118600 743.0221 2120.7183 1951.6893 103.0896 -205842.8533 17580.7925 0.0000 0.0000 34255.9065 -149087.6349 299.1654 -183343.5414 -149000.3832 299.8421 -172.8570 -142.6539 557320.1906 7.1671 7.3473 PRESSURE: 2118800 30.3196 52.4223 -1.48378 52.4214 6.856 68.5434 -1.48296 68.5425 18.358 GPRESSURE: 2118800 69.5205 64.5208 -6.22905 -15.1866 20.0713 118.152 -4.13607 -47.0349 58.7336 PRESSAVG: 2118800 -16.9979 10.3205 19.3621 10.3205 2.39799 -23.0304 19.3622 -23.0305 3.39199 GPRESSAVG: 2118800 -18.7898 9.58457 20.5539 12.582 3.63797 -22.4408 19.681 -24.4988 4.20174 TIMING: 2118800 CPU: 6306.72, 0.00298296/step Wall: 6306.72, 0.00298296/step, 2.38736 hours remaining, 205.742188 MB of memory in use. ENERGY: 2118800 738.7992 2118.8376 1974.6722 120.4765 -206084.7312 17918.6166 0.0000 0.0000 34121.8547 -149091.4744 297.9946 -183213.3291 -148994.4567 299.3850 18.5112 49.4418 558409.8837 -3.7360 -3.6500 PRESSURE: 2119000 61.6188 19.8479 6.91105 19.8476 274.776 135.53 6.91087 135.529 199.156 GPRESSURE: 2119000 158.011 -26.2766 -2.24712 -72.7866 254.004 113.086 -1.55613 144.538 221.659 PRESSAVG: 2119000 38.8604 -22.0645 -18.2195 -22.0643 -37.2205 40.1307 -18.2195 40.1307 27.3833 GPRESSAVG: 2119000 39.8848 -22.4884 -19.5369 -24.4888 -37.9368 41.14 -16.8635 38.4573 27.1179 TIMING: 2119000 CPU: 6307.32, 0.00297639/step Wall: 6307.32, 0.00297639/step, 2.38194 hours remaining, 205.742188 MB of memory in use. ENERGY: 2119000 737.7529 2083.8654 1915.2739 118.3889 -206758.7060 18303.6562 0.0000 0.0000 34340.5643 -149259.2044 299.9047 -183599.7687 -149163.8400 299.1240 178.5167 211.2248 558565.8005 9.6744 9.6886 PRESSURE: 2119200 86.4094 -116.16 63.7424 -116.16 94.7617 -43.9811 63.7418 -43.982 -49.6416 GPRESSURE: 2119200 113.83 -78.9409 101.855 -183.726 112.977 -16.9891 -4.99317 10.6371 2.20412 PRESSAVG: 2119200 -23.3825 -7.64462 7.39155 -7.64465 17.5371 -64.2405 7.39167 -64.2406 32.6156 GPRESSAVG: 2119200 -23.9768 -7.86433 7.09847 -6.47716 17.6759 -66.0005 5.96345 -62.0501 32.9226 TIMING: 2119200 CPU: 6307.92, 0.00298194/step Wall: 6307.92, 0.00298194/step, 2.38622 hours remaining, 205.742188 MB of memory in use. ENERGY: 2119200 755.9015 2196.1362 1939.5983 116.5383 -206522.4120 18186.7517 0.0000 0.0000 34111.1543 -149216.3317 297.9012 -183327.4861 -149120.4428 299.0110 43.8431 76.3372 558326.7327 8.9234 8.8739 PRESSURE: 2119400 -151.093 25.6666 81.3795 25.666 -20.0437 -55.259 81.3787 -55.2585 -370.571 GPRESSURE: 2119400 -69.912 45.1576 57.7768 52.631 -68.061 -46.3562 21.8758 -46.7981 -318.802 PRESSAVG: 2119400 -5.2072 -23.7034 20.3189 -23.7034 62.0105 -50.6967 20.319 -50.6967 -13.3103 GPRESSAVG: 2119400 -4.7449 -24.0534 18.0728 -22.4126 61.4288 -49.5997 20.3476 -52.9019 -13.5014 TIMING: 2119400 CPU: 6308.51, 0.00296204/step Wall: 6308.51, 0.00296204/step, 2.37013 hours remaining, 205.742188 MB of memory in use. ENERGY: 2119400 746.3874 2110.8532 1923.5329 106.9462 -206022.8459 17667.1225 0.0000 0.0000 34288.9983 -149179.0054 299.4544 -183468.0037 -149080.8879 299.6908 -180.5692 -152.2582 558186.7139 14.4977 14.3942 PRESSURE: 2119600 187.871 93.0153 -92.648 93.0155 10.3172 -1.10681 -92.6495 -1.10592 311.75 GPRESSURE: 2119600 226.019 51.8134 -105.437 88.8915 42.1337 34.253 -38.1524 -36.126 336.462 PRESSAVG: 2119600 -3.12571 12.2536 -7.36979 12.2536 -7.1496 -12.9538 -7.36974 -12.9537 42.1038 GPRESSAVG: 2119600 -3.28722 13.9385 -7.27374 10.9974 -5.94025 -11.2776 -5.577 -11.1577 41.5175 TIMING: 2119600 CPU: 6309.1, 0.00295968/step Wall: 6309.1, 0.00295968/step, 2.36807 hours remaining, 205.742188 MB of memory in use. ENERGY: 2119600 741.6112 2106.3890 1927.2419 121.0033 -206565.9526 18137.4311 0.0000 0.0000 34320.3017 -149211.9745 299.7277 -183532.2761 -149117.5365 299.7310 169.9794 201.5383 557056.2384 10.6095 10.7634 PRESSURE: 2119800 161.497 -53.8862 25.4456 -53.8848 26.4986 25.1273 25.4453 25.127 92.7319 GPRESSURE: 2119800 168.16 -86.8027 -58.0265 -107.417 5.97433 14.6273 82.1151 37.5573 206.793 PRESSAVG: 2119800 59.8462 -21.2028 -28.5937 -21.2028 -78.2127 -11.4108 -28.5938 -11.4108 5.39 GPRESSAVG: 2119800 59.7408 -22.3622 -27.1232 -21.5315 -78.5536 -13.5019 -31.6671 -10.1971 5.96662 TIMING: 2119800 CPU: 6309.7, 0.00297396/step Wall: 6309.7, 0.00297396/step, 2.37933 hours remaining, 205.742188 MB of memory in use. ENERGY: 2119800 738.5284 2071.4109 1940.3260 127.5323 -206579.8721 18081.1695 0.0000 0.0000 34196.1384 -149424.7667 298.6434 -183620.9050 -149323.0032 298.8937 93.5759 126.9758 556687.1943 -4.3255 -4.2821 PRESSURE: 2120000 20.879 93.8387 -199.752 93.8384 -78.0741 108.554 -199.752 108.554 45.4261 GPRESSURE: 2120000 111.597 90.7575 -125.888 135.406 -70.2133 159.66 -154.967 84.5938 36.2213 PRESSAVG: 2120000 15.19 22.256 28.0642 22.2559 31.6021 20.5235 28.0643 20.5234 -37.3212 GPRESSAVG: 2120000 15.9361 22.3224 26.2167 20.6924 31.3423 20.7089 29.5862 18.816 -37.7486 TIMING: 2120000 CPU: 6310.29, 0.00298983/step Wall: 6310.29, 0.00298983/step, 2.39186 hours remaining, 205.742188 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: 2120000 730.5489 2060.9672 1934.1801 113.3220 -206316.9759 17670.5451 0.0000 0.0000 34319.7511 -149487.6615 299.7229 -183807.4126 -149399.2650 298.7147 -3.9230 25.8683 555942.3030 3.1570 3.1766 PRESSURE: 2120200 198.807 -68.9921 -77.6319 -68.9918 -372.126 4.70076 -77.631 4.70078 53.0959 GPRESSURE: 2120200 208.456 -232.556 -105.037 -21.2157 -280.229 57.1002 -42.1638 30.8986 50.4962 PRESSAVG: 2120200 4.76131 20.5976 15.1442 20.5976 1.40813 64.9913 15.1441 64.9913 -5.96989 GPRESSAVG: 2120200 4.58335 21.7894 17.1417 20.9314 1.09679 66.7624 15.0344 64.6263 -5.43838 TIMING: 2120200 CPU: 6310.89, 0.00298332/step Wall: 6310.89, 0.00298332/step, 2.38649 hours remaining, 205.742188 MB of memory in use. ENERGY: 2120200 720.0153 2074.6189 1930.1123 111.8648 -205953.1392 17568.5576 0.0000 0.0000 34245.7897 -149302.1806 299.0770 -183547.9704 -149203.6254 299.0389 -40.0744 -7.0923 557119.2483 0.0665 0.0806 LDB: ============= START OF LOAD BALANCING ============== 6314.32 LDB: ============== END OF LOAD BALANCING =============== 6314.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6314.32 LDB: ============= START OF LOAD BALANCING ============== 6314.62 LDB: Largest compute 4847 load 0.025820 is 21.9% of average load 0.118119 LDB: Average compute 0.001718 is 1.5% of average load 0.118119 LDB: TIME 6314.62 LOAD: AVG 0.118119 MAX 0.202587 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 6314.62 LOAD: AVG 0.118119 MAX 0.202587 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.977 MB LDB: TIME 6314.62 LOAD: AVG 0.118119 MAX 0.202587 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.977 MB LDB: ============== END OF LOAD BALANCING =============== 6314.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6314.63 PRESSURE: 2120400 -479.436 52.0686 -21.4735 52.0697 -29.432 66.8951 -21.4733 66.8949 -409.954 GPRESSURE: 2120400 -440.839 40.8572 -23.9928 124.494 45.0036 96.4869 -56.198 65.9203 -421.096 PRESSAVG: 2120400 -47.7261 21.9521 15.0176 21.9522 25.7674 52.2265 15.0176 52.2265 -5.48909 GPRESSAVG: 2120400 -46.9155 20.9374 14.4155 22.9707 25.6055 51.5699 14.3583 52.6277 -5.74865 TIMING: 2120400 CPU: 6311.5, 0.0030373/step Wall: 6311.5, 0.0030373/step, 2.4295 hours remaining, 205.222656 MB of memory in use. ENERGY: 2120400 779.7295 2095.0660 1923.9142 109.9640 -206028.3242 17389.8955 0.0000 0.0000 34380.3327 -149349.4223 300.2520 -183729.7550 -149245.7585 299.0054 -306.2741 -272.3105 557884.9567 -9.1493 -9.0195 PRESSURE: 2120600 140.798 74.9886 15.5552 74.99 67.6673 -82.2263 15.5553 -82.226 97.8821 GPRESSURE: 2120600 142.053 -38.7242 -0.767971 57.0736 178.582 -104.458 -1.99275 -103.099 80.943 PRESSAVG: 2120600 -14.9866 -27.7884 -0.0362852 -27.7884 25.6752 7.62419 -0.036183 7.62429 9.12198 GPRESSAVG: 2120600 -15.3455 -28.5551 -1.53207 -26.6341 25.4462 7.66728 1.38184 6.2366 8.93393 TIMING: 2120600 CPU: 6312.1, 0.0029951/step Wall: 6312.1, 0.0029951/step, 2.39558 hours remaining, 205.222656 MB of memory in use. ENERGY: 2120600 735.4818 2044.0011 1940.3992 102.9893 -206710.7797 18100.2520 0.0000 0.0000 34407.7745 -149379.8820 300.4917 -183787.6564 -149279.7436 299.8336 102.1157 133.8594 558922.5280 6.6035 6.3449 PRESSURE: 2120800 -100.881 27.535 36.9221 27.5354 -91.4433 -84.2672 36.921 -84.267 66.4449 GPRESSURE: 2120800 -37.5933 119.252 52.2831 -84.2318 -42.356 -72.5467 54.787 -53.8194 41.5378 PRESSAVG: 2120800 -68.0383 28.8446 -5.6127 28.8446 34.5922 -22.3535 -5.61267 -22.3535 31.0938 GPRESSAVG: 2120800 -68.5164 28.5165 -5.0289 29.715 35.614 -24.4567 -4.88032 -21.8615 30.5915 TIMING: 2120800 CPU: 6312.7, 0.00301806/step Wall: 6312.7, 0.00301806/step, 2.41378 hours remaining, 205.222656 MB of memory in use. ENERGY: 2120800 742.7721 2066.8163 1953.2316 103.0166 -206110.2513 17739.1656 0.0000 0.0000 34179.2150 -149326.0341 298.4956 -183505.2491 -149230.7606 299.2950 -41.9599 -12.8038 558459.4979 -0.7841 -0.7703 PRESSURE: 2121000 39.6888 -94.7698 183.885 -94.7704 50.3351 -49.3656 183.885 -49.3649 48.2084 GPRESSURE: 2121000 17.3717 -41.938 173.508 -100.375 103.276 -29.5337 132.905 -25.1746 106.052 PRESSAVG: 2121000 25.9192 44.4977 74.3125 44.4978 7.99698 29.6719 74.3126 29.6718 4.47314 GPRESSAVG: 2121000 25.4029 45.2371 76.0752 43.0444 7.38516 33.0559 70.9081 28.802 5.52474 TIMING: 2121000 CPU: 6313.31, 0.00302963/step Wall: 6313.31, 0.00302963/step, 2.42287 hours remaining, 205.222656 MB of memory in use. ENERGY: 2121000 705.1094 2029.5671 1947.8083 102.6488 -205932.5659 17711.1575 0.0000 0.0000 34282.2240 -149154.0508 299.3952 -183436.2749 -149054.6086 299.1485 46.0774 75.5666 558804.5969 12.7964 12.7709 PRESSURE: 2121200 183.671 130.323 -194.928 130.323 153.593 95.6213 -194.928 95.6209 -29.4559 GPRESSURE: 2121200 229.253 227.108 -141.507 58.1886 148.394 118.079 -242.716 63.5118 28.0783 PRESSAVG: 2121200 -12.6985 -36.5977 -20.3255 -36.5976 -17.2165 44.4662 -20.3256 44.4662 13.7354 GPRESSAVG: 2121200 -11.4884 -36.018 -19.8196 -37.1482 -17.2702 41.7391 -17.6173 45.6441 12.5448 TIMING: 2121200 CPU: 6313.9, 0.0029716/step Wall: 6313.9, 0.0029716/step, 2.37629 hours remaining, 205.222656 MB of memory in use. ENERGY: 2121200 745.4416 2064.8970 1936.5658 110.2048 -206268.7958 17988.4293 0.0000 0.0000 34216.3622 -149206.8952 298.8200 -183423.2574 -149109.0641 298.8996 102.6030 135.2419 558016.7338 -5.3932 -5.4046 PRESSURE: 2121400 195.429 -2.60185 102.283 -2.60209 33.0493 -66.6939 102.282 -66.6933 -44.3526 GPRESSURE: 2121400 218.37 -36.258 153.661 66.3506 35.1813 4.27115 50.7234 -78.0692 27.1475 PRESSAVG: 2121400 -37.8068 -40.8328 -35.379 -40.8329 14.9227 -4.33227 -35.3789 -4.3323 15.8604 GPRESSAVG: 2121400 -37.3008 -41.3605 -35.3881 -41.4414 14.8311 -4.63147 -36.0502 -3.30923 15.5673 TIMING: 2121400 CPU: 6314.5, 0.00299051/step Wall: 6314.5, 0.00299051/step, 2.39124 hours remaining, 205.222656 MB of memory in use. ENERGY: 2121400 735.7336 2068.8007 1931.0561 109.8151 -206213.0353 17969.8414 0.0000 0.0000 34274.0205 -149123.7680 299.3235 -183397.7885 -149026.4221 299.2300 61.3753 93.5661 558946.5773 -2.3412 -2.3008 PRESSURE: 2121600 -14.0813 -69.3504 -128.758 -69.3521 23.1086 19.332 -128.758 19.3316 -20.0273 GPRESSURE: 2121600 74.6713 -88.2893 -184.453 -40.4467 80.4237 21.5445 -164.782 6.98031 -70.8228 PRESSAVG: 2121600 39.5407 -14.9271 -12.8621 -14.927 -9.98889 49.1427 -12.862 49.1427 -11.2245 GPRESSAVG: 2121600 38.2606 -15.7341 -15.3935 -12.7182 -8.77017 48.5108 -11.9846 49.0343 -10.868 TIMING: 2121600 CPU: 6315.09, 0.00297293/step Wall: 6315.09, 0.00297293/step, 2.37702 hours remaining, 205.222656 MB of memory in use. ENERGY: 2121600 745.0401 2066.4967 1918.7686 117.3233 -206161.8841 17761.5473 0.0000 0.0000 34214.4032 -149338.3049 298.8029 -183552.7082 -149233.7734 298.8311 -3.6667 28.0907 557229.4319 6.1091 6.2075 PRESSURE: 2121800 -83.878 -65.1641 139.99 -65.1641 -101.115 -123.336 139.99 -123.337 -182.079 GPRESSURE: 2121800 -48.9546 -70.5633 102.839 -107.92 -79.2117 -201.087 132.844 -94.5832 -141.283 PRESSAVG: 2121800 34.5304 8.05503 21.2076 8.05497 0.449776 14.3213 21.2075 14.3212 -19.5917 GPRESSAVG: 2121800 34.4364 8.95396 21.2035 6.29396 -0.703868 15.0323 21.598 14.8455 -18.6363 TIMING: 2121800 CPU: 6315.69, 0.0029666/step Wall: 6315.69, 0.0029666/step, 2.37179 hours remaining, 205.222656 MB of memory in use. ENERGY: 2121800 741.8465 2089.9337 1923.6372 116.6761 -206053.0740 17702.3865 0.0000 0.0000 34040.8051 -149437.7888 297.2868 -183478.5939 -149344.8371 298.6892 -122.3574 -89.8165 557255.0479 5.1295 5.0321 PRESSURE: 2122000 -100.314 -138.255 -77.8269 -138.254 -206.013 158.117 -77.8261 158.116 -529.696 GPRESSURE: 2122000 -85.2721 -27.5698 -77.1098 -211.919 -219.379 110.85 1.80984 125.996 -434.262 PRESSAVG: 2122000 16.9937 24.5773 16.4968 24.5773 1.76485 -30.0617 16.4968 -30.0617 -41.1153 GPRESSAVG: 2122000 16.21 23.3854 14.0341 25.6788 2.17796 -28.2467 17.5927 -31.7495 -40.6754 TIMING: 2122000 CPU: 6316.28, 0.0029758/step Wall: 6316.28, 0.0029758/step, 2.37899 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: 2122000 767.9182 2055.8692 1946.8442 111.6001 -205798.5599 17305.1685 0.0000 0.0000 34163.3665 -149447.7933 298.3572 -183611.1598 -149362.4924 298.4361 -278.6742 -246.3045 557599.0696 -7.4523 -7.4292 PRESSURE: 2122200 -14.1313 12.7545 -71.1675 12.7544 199.532 53.9924 -71.168 53.9909 -126.266 GPRESSURE: 2122200 36.9509 32.6629 13.2316 -60.9816 184.905 64.9968 -117.015 50.5134 -66.1426 PRESSAVG: 2122200 8.35984 25.6663 26.1419 25.6663 -17.6486 30.9345 26.1418 30.9346 -41.4596 GPRESSAVG: 2122200 9.39155 26.1481 30.8194 26.0821 -18.1267 29.9289 24.0419 32.4555 -42.494 TIMING: 2122200 CPU: 6316.88, 0.00297229/step Wall: 6316.88, 0.00297229/step, 2.37602 hours remaining, 205.222656 MB of memory in use. ENERGY: 2122200 699.9252 2068.2088 1935.9633 126.2594 -206358.4743 17844.9415 0.0000 0.0000 34315.3112 -149367.8649 299.6841 -183683.1761 -149272.0138 298.3718 19.7114 51.9044 558002.6317 -16.9161 -17.0764 PRESSURE: 2122400 192.495 -179.315 2.73693 -179.316 84.9853 76.7827 2.73643 76.782 -255.785 GPRESSURE: 2122400 197.355 -157.817 88.0395 -104.865 71.6859 181.316 49.6256 135.942 -161.858 PRESSAVG: 2122400 -14.2966 -32.1016 -7.30364 -32.1015 33.0952 7.57143 -7.30359 7.57143 -2.26496 GPRESSAVG: 2122400 -14.6004 -30.38 -8.5793 -33.2504 32.6692 8.04074 -6.16224 6.70057 -2.03759 TIMING: 2122400 CPU: 6317.47, 0.00298454/step Wall: 6317.47, 0.00298454/step, 2.38564 hours remaining, 205.222656 MB of memory in use. ENERGY: 2122400 708.6443 2088.9042 1950.4692 111.9610 -206153.6577 17827.1800 0.0000 0.0000 34098.6977 -149367.8013 297.7924 -183466.4989 -149270.8985 298.4627 7.2319 35.7274 556910.9152 5.5112 5.3438 PRESSURE: 2122600 -289.19 8.29321 59.0989 8.2941 -165.547 -71.3239 59.0995 -71.3239 -101.284 GPRESSURE: 2122600 -284.362 -17.3386 24.9952 -30.7518 -176.565 12.7971 100.311 -86.5181 -2.21054 PRESSAVG: 2122600 18.2739 23.9644 -19.0346 23.9645 10.1494 -24.0034 -19.0346 -24.0034 -74.9251 GPRESSAVG: 2122600 18.9533 23.4106 -18.9864 24.7658 10.2672 -24.4494 -19.5498 -25.1496 -75.8053 TIMING: 2122600 CPU: 6318.07, 0.002976/step Wall: 6318.07, 0.002976/step, 2.37865 hours remaining, 205.222656 MB of memory in use. ENERGY: 2122600 750.8294 2049.9094 1920.1850 108.2225 -205955.8415 17512.0902 0.0000 0.0000 34146.6399 -149467.9650 298.2111 -183614.6050 -149374.6833 298.6090 -185.3402 -154.3792 558180.2666 -15.5006 -15.5283 PRESSURE: 2122800 152.664 -44.2697 -75.2041 -44.2685 -112.793 122.128 -75.2042 122.128 -226.646 GPRESSURE: 2122800 150.127 -139.302 -64.1852 6.76345 -47.9438 84.3521 -13.3116 17.9351 -185.888 PRESSAVG: 2122800 -9.89917 -4.76466 -8.076 -4.76465 -31.2808 -20.572 -8.07597 -20.5722 26.8831 GPRESSAVG: 2122800 -9.04225 -5.75651 -7.6259 -3.66255 -31.5559 -21.0319 -8.63281 -20.1897 26.7838 TIMING: 2122800 CPU: 6318.66, 0.00298306/step Wall: 6318.66, 0.00298306/step, 2.38413 hours remaining, 205.222656 MB of memory in use. ENERGY: 2122800 738.3784 2075.6657 1931.7431 106.7217 -206135.2547 17689.1861 0.0000 0.0000 34114.1527 -149479.4069 297.9274 -183593.5596 -149385.4359 299.0234 -62.2586 -27.9017 558061.3604 -4.7656 -4.6048 PRESSURE: 2123000 -132.037 -91.5695 -115.515 -91.5702 -168.656 -79.711 -115.514 -79.7098 -50.9662 GPRESSURE: 2123000 -57.446 -118.848 -128.184 -41.3957 -176.904 4.44774 -69.733 -81.2254 -19.8362 PRESSAVG: 2123000 38.5883 -42.0217 -31.8772 -42.0218 -21.9448 48.9573 -31.8771 48.9574 -16.9926 GPRESSAVG: 2123000 37.4276 -41.9647 -32.5638 -44.1073 -21.8346 50.1007 -30.984 46.9736 -16.6067 TIMING: 2123000 CPU: 6319.26, 0.00298306/step Wall: 6319.26, 0.00298306/step, 2.38396 hours remaining, 205.222656 MB of memory in use. ENERGY: 2123000 732.7379 2086.6008 1917.6298 110.2093 -205902.3517 17658.0868 0.0000 0.0000 34079.6948 -149317.3924 297.6265 -183397.0872 -149218.9097 298.3659 -117.2198 -84.7289 559552.6853 -0.1164 -0.3379 PRESSURE: 2123200 -21.5767 82.8113 49.9801 82.8113 -63.3226 -113.742 49.9799 -113.742 -436.309 GPRESSURE: 2123200 -14.9649 -10.5071 32.9337 101.407 -0.364666 -119.136 21.3173 -128.504 -419.05 PRESSAVG: 2123200 76.0038 -10.7526 -6.95377 -10.7524 -32.9282 -18.7248 -6.95374 -18.7247 -41.1589 GPRESSAVG: 2123200 75.6066 -11.3847 -5.34518 -9.33926 -32.5956 -19.2455 -8.77611 -16.8781 -40.9576 TIMING: 2123200 CPU: 6319.85, 0.00295898/step Wall: 6319.85, 0.00295898/step, 2.36455 hours remaining, 205.222656 MB of memory in use. ENERGY: 2123200 760.2353 2068.5906 1925.7795 124.4427 -206109.4197 17674.1052 0.0000 0.0000 34203.2352 -149353.0312 298.7054 -183556.2663 -149248.4333 298.4572 -173.7361 -144.7933 559133.3928 0.6389 0.6845 PRESSURE: 2123400 -263.401 -8.30723 72.7152 -8.30713 -214.341 -161.232 72.7154 -161.231 -330.157 GPRESSURE: 2123400 -244.376 66.1468 -14.055 20.6834 -182.763 -198.968 40.3523 -132.103 -295.079 PRESSAVG: 2123400 -8.0318 45.4947 -7.29505 45.4947 11.729 -27.0549 -7.29507 -27.0547 -28.251 GPRESSAVG: 2123400 -7.54301 47.7558 -7.79859 44.9937 12.1692 -27.5807 -6.47956 -26.561 -29.4816 TIMING: 2123400 CPU: 6320.45, 0.00298211/step Wall: 6320.45, 0.00298211/step, 2.38287 hours remaining, 205.222656 MB of memory in use. ENERGY: 2123400 757.6659 2083.0023 1907.9467 109.3075 -205546.9491 17312.6403 0.0000 0.0000 34178.3127 -149198.0737 298.4877 -183376.3864 -149098.9681 298.4974 -269.2997 -240.7397 558206.2163 -8.1846 -8.2851 PRESSURE: 2123600 -303.668 -67.0938 -208.753 -67.0944 -627.528 117.453 -208.753 117.452 -413.414 GPRESSURE: 2123600 -302.933 -88.9594 -126.529 -30.0135 -542.539 133.874 -208.357 132.096 -392.131 PRESSAVG: 2123600 -36.5873 -48.2374 -12.6579 -48.2374 3.57159 -21.6014 -12.6579 -21.6014 19.422 GPRESSAVG: 2123600 -37.6801 -48.1702 -12.912 -45.3409 3.88922 -20.6966 -14.1527 -22.5471 19.6981 TIMING: 2123600 CPU: 6321.05, 0.00299624/step Wall: 6321.05, 0.00299624/step, 2.39399 hours remaining, 205.222656 MB of memory in use. ENERGY: 2123600 755.7655 2087.4060 1897.2342 112.4166 -205913.3676 17300.8036 0.0000 0.0000 34367.9259 -149391.8156 300.1436 -183759.7415 -149295.2235 298.7383 -448.2036 -412.5346 557309.2304 -4.5313 -4.6976 PRESSURE: 2123800 -209.352 -0.0262673 -75.5853 -0.0268281 -94.6134 92.8929 -75.5852 92.8925 -280.039 GPRESSURE: 2123800 -212.848 25.635 -96.0725 -42.2136 -96.5624 81.6178 -56.5553 90.9849 -166.265 PRESSAVG: 2123800 16.6076 -23.8804 -16.3729 -23.8804 30.7675 28.2002 -16.3729 28.2001 -16.8158 GPRESSAVG: 2123800 17.1016 -23.6198 -18.2653 -27.0524 30.2844 29.5019 -14.6533 27.2457 -16.6446 TIMING: 2123800 CPU: 6321.65, 0.0029811/step Wall: 6321.65, 0.0029811/step, 2.38173 hours remaining, 205.222656 MB of memory in use. ENERGY: 2123800 738.6366 2039.3748 1920.1693 121.9796 -205775.6493 17644.4789 0.0000 0.0000 34228.8575 -149082.1526 298.9291 -183311.0101 -148985.2033 299.1759 -194.6683 -158.5584 559016.6845 10.1864 10.2471 PRESSURE: 2124000 175.155 36.5373 -73.5337 36.5359 121.411 104.274 -73.5339 104.274 270.904 GPRESSURE: 2124000 187.758 68.1127 -138.453 2.16115 182.341 142.728 -14.6954 76.9338 296.641 PRESSAVG: 2124000 -10.8322 12.8454 -12.6371 12.8455 46.4735 11.3614 -12.6372 11.3615 -14.385 GPRESSAVG: 2124000 -10.8907 13.3142 -11.387 11.0438 46.1765 8.7768 -12.0822 12.228 -14.716 TIMING: 2124000 CPU: 6322.24, 0.00297963/step Wall: 6322.24, 0.00297963/step, 2.38039 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: 2124000 713.4993 2060.5567 1930.5626 117.0251 -206395.7727 18084.4796 0.0000 0.0000 34381.5340 -149108.1155 300.2625 -183489.6495 -149012.3967 299.3195 189.1570 222.2466 556220.7797 7.0854 6.8566 PRESSURE: 2124200 -69.6122 77.7691 287.414 77.7686 -88.305 12.1532 287.413 12.1544 -115.8 GPRESSURE: 2124200 -5.53076 173.111 322.237 -14.7151 -82.9859 -89.8297 285.146 198.945 -95.9637 PRESSAVG: 2124200 -51.7408 -15.1936 34.4463 -15.1937 -32.9405 6.24175 34.4463 6.24175 52.9502 GPRESSAVG: 2124200 -51.2744 -14.8846 35.2275 -15.0738 -33.0013 6.21914 34.9457 7.09326 52.5264 TIMING: 2124200 CPU: 6322.84, 0.00299168/step Wall: 6322.84, 0.00299168/step, 2.38985 hours remaining, 205.222656 MB of memory in use. ENERGY: 2124200 763.8179 2066.5792 1921.7239 110.2473 -206055.7678 17764.0245 0.0000 0.0000 34230.4903 -149198.8848 298.9434 -183429.3752 -149104.4212 299.1780 -91.2389 -61.4934 557726.0211 -10.5770 -10.5831 LDB: ============= START OF LOAD BALANCING ============== 6326.27 LDB: ============== END OF LOAD BALANCING =============== 6326.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6326.27 LDB: ============= START OF LOAD BALANCING ============== 6326.57 LDB: Largest compute 4847 load 0.025978 is 22.0% of average load 0.118024 LDB: Average compute 0.001717 is 1.5% of average load 0.118024 LDB: TIME 6326.58 LOAD: AVG 0.118024 MAX 0.206616 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 6326.58 LOAD: AVG 0.118024 MAX 0.206616 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: TIME 6326.58 LOAD: AVG 0.118024 MAX 0.206616 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 6326.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6326.58 PRESSURE: 2124400 -122.917 -143.593 43.8313 -143.592 84.2834 -134.674 43.8318 -134.674 47.1076 GPRESSURE: 2124400 -64.6181 -215.679 18.7573 -192.078 146.845 -176.22 58.8263 -97.4139 11.2591 PRESSAVG: 2124400 -26.8233 -58.626 49.6874 -58.626 67.5401 15.9081 49.6873 15.9081 -6.679 GPRESSAVG: 2124400 -27.0992 -59.8643 48.2789 -57.935 68.13 18.0401 47.6402 14.1512 -7.27865 TIMING: 2124400 CPU: 6323.45, 0.00307202/step Wall: 6323.45, 0.00307202/step, 2.45386 hours remaining, 205.996094 MB of memory in use. ENERGY: 2124400 755.6722 2134.2319 1926.2634 111.3053 -206323.1335 17938.0370 0.0000 0.0000 34329.8462 -149127.7775 299.8111 -183457.6237 -149033.0636 299.6458 2.8248 31.1621 557748.3599 11.3459 11.2507 PRESSURE: 2124600 -200.036 11.995 -142.127 11.9947 53.0346 43.5679 -142.129 43.5687 52.7347 GPRESSURE: 2124600 -128.639 40.1811 -226.73 -34.8999 56.3585 17.244 -28.6685 58.9961 72.9563 PRESSAVG: 2124600 -2.55931 -20.0516 8.53902 -20.0516 56.8587 -50.3777 8.53907 -50.3776 -49.5516 GPRESSAVG: 2124600 -2.31243 -17.9446 6.55836 -19.3564 56.3893 -51.2016 9.51226 -49.3624 -49.3159 TIMING: 2124600 CPU: 6324.06, 0.00303013/step Wall: 6324.06, 0.00303013/step, 2.42023 hours remaining, 205.996094 MB of memory in use. ENERGY: 2124600 757.8943 2075.3678 1930.2556 104.8955 -206046.7647 17691.7813 0.0000 0.0000 34251.6607 -149234.9095 299.1283 -183486.5702 -149134.0515 299.3300 -31.4224 0.2252 557534.6623 1.5826 1.5870 PRESSURE: 2124800 -156.588 -57.2176 -69.3863 -57.2173 -251.9 -205.606 -69.3863 -205.606 -239.927 GPRESSURE: 2124800 -153.604 -89.7032 -83.3141 10.1925 -208.232 -190.367 -3.823 -175.815 -185.929 PRESSAVG: 2124800 -51.9359 -19.3454 13.086 -19.3455 34.1057 -18.0225 13.0861 -18.0226 25.0565 GPRESSAVG: 2124800 -53.4833 -18.3975 15.6455 -21.1897 34.8043 -17.4511 14.6744 -19.0696 26.4378 TIMING: 2124800 CPU: 6324.66, 0.00301712/step Wall: 6324.66, 0.00301712/step, 2.40967 hours remaining, 205.996094 MB of memory in use. ENERGY: 2124800 781.7952 2121.9036 1927.7036 99.9784 -206136.8092 17611.7521 0.0000 0.0000 34339.9063 -149253.7700 299.8989 -183593.6764 -149162.4317 298.7884 -216.1383 -182.5879 558509.1552 2.4088 2.5863 PRESSURE: 2125000 -168.947 -160.611 -36.4431 -160.61 75.6147 38.0455 -36.4423 38.0452 -43.9648 GPRESSURE: 2125000 -88.0658 -262.516 -57.0235 -72.0149 93.6892 6.36918 -20.6693 35.6126 -34.2334 PRESSAVG: 2125000 -14.4722 5.28514 8.81315 5.28509 25.0407 -5.75122 8.81311 -5.75111 30.8253 GPRESSAVG: 2125000 -13.9811 2.46197 8.00996 8.92293 25.1638 -6.82045 7.1437 -3.70957 30.7441 TIMING: 2125000 CPU: 6325.26, 0.00299702/step Wall: 6325.26, 0.00299702/step, 2.39346 hours remaining, 205.996094 MB of memory in use. ENERGY: 2125000 742.1571 2100.2180 1938.6076 117.7193 -205926.8617 17602.2921 0.0000 0.0000 34038.7369 -149387.1307 297.2688 -183425.8676 -149291.1918 299.1026 -45.7656 -9.5367 556493.1339 13.7980 13.9756 PRESSURE: 2125200 223.757 -55.4519 -134.139 -55.4511 140.89 3.5543 -134.138 3.55365 -80.1858 GPRESSURE: 2125200 221.013 -32.5465 -86.4398 7.51758 215.243 -50.2395 -142.961 20.0294 -56.8853 PRESSAVG: 2125200 34.9549 24.5652 -25.5269 24.5652 41.9886 7.07264 -25.527 7.0726 -56.8335 GPRESSAVG: 2125200 34.7504 24.8331 -23.9167 23.0538 42.6558 7.40282 -24.8074 6.85596 -57.0682 TIMING: 2125200 CPU: 6325.86, 0.0029948/step Wall: 6325.86, 0.0029948/step, 2.39152 hours remaining, 205.996094 MB of memory in use. ENERGY: 2125200 742.4640 2036.8460 1937.6256 107.5821 -206501.8970 18107.1715 0.0000 0.0000 34113.4256 -149456.7823 297.9210 -183570.2079 -149360.8419 298.2709 94.8204 126.4569 556924.1396 6.7033 6.7793 PRESSURE: 2125400 -323.263 30.6413 -30.8492 30.641 -158.102 -71.0975 -30.8485 -71.0985 -231.721 GPRESSURE: 2125400 -245.392 -6.06624 -85.47 104.46 -157.94 -46.1985 -0.38635 -64.4362 -212.775 PRESSAVG: 2125400 -2.64473 -4.22327 -79.3748 -4.22333 0.266842 8.12889 -79.3748 8.12884 35.2915 GPRESSAVG: 2125400 -0.817016 -5.74494 -80.2665 -1.67007 -0.941676 6.67404 -80.706 7.39589 34.4182 TIMING: 2125400 CPU: 6326.46, 0.00299421/step Wall: 6326.46, 0.00299421/step, 2.39088 hours remaining, 205.996094 MB of memory in use. ENERGY: 2125400 756.6251 2105.4346 1930.2395 108.2596 -206375.2209 17622.8586 0.0000 0.0000 34298.3644 -149553.4390 299.5361 -183851.8034 -149456.4713 299.2429 -237.6950 -205.3691 556808.1748 10.9712 10.8865 PRESSURE: 2125600 -64.8575 33.0275 20.7957 33.0278 479.358 -9.314 20.7944 -9.31312 -60.8157 GPRESSURE: 2125600 -70.2612 126.492 -26.9895 57.9241 535.698 52.0412 52.483 61.765 -14.4357 PRESSAVG: 2125600 -64.4598 -21.6185 -34.5375 -21.6185 89.3841 -17.5815 -34.5376 -17.5814 -21.6217 GPRESSAVG: 2125600 -65.0394 -18.3732 -34.612 -25.4652 89.9245 -15.8741 -34.602 -18.2741 -21.8917 TIMING: 2125600 CPU: 6327.06, 0.00299393/step Wall: 6327.06, 0.00299393/step, 2.39049 hours remaining, 205.996094 MB of memory in use. ENERGY: 2125600 760.7825 2119.8452 1920.3637 116.0667 -206637.1432 18058.7351 0.0000 0.0000 34309.2606 -149352.0894 299.6313 -183661.3501 -149262.0009 298.9904 117.8950 150.3336 556814.9885 1.1009 0.9978 PRESSURE: 2125800 -17.1326 -125.382 48.7744 -125.382 160.334 64.8343 48.774 64.8338 40.9141 GPRESSURE: 2125800 27.7407 -93.7898 65.7756 -160.601 167.029 139.015 41.3677 43.7562 90.8089 PRESSAVG: 2125800 15.5677 -63.5183 -17.7059 -63.5184 18.4078 -30.7674 -17.7059 -30.7675 -11.8718 GPRESSAVG: 2125800 14.8549 -63.8022 -15.9879 -63.1346 18.4525 -32.3895 -18.6281 -29.5284 -10.8776 TIMING: 2125800 CPU: 6327.66, 0.00299086/step Wall: 6327.66, 0.00299086/step, 2.38787 hours remaining, 205.996094 MB of memory in use. ENERGY: 2125800 734.8808 2099.4501 1920.7654 112.0372 -206368.0779 18005.8731 0.0000 0.0000 34174.4436 -149320.6277 298.4539 -183495.0713 -149228.1137 299.8408 61.3718 95.1929 556193.0447 7.3679 7.4766 PRESSURE: 2126000 17.4366 84.4769 -1.91746 84.4774 91.1512 -28.4115 -1.91655 -28.4117 -122.423 GPRESSURE: 2126000 16.1026 180.98 -9.28732 0.466925 131.547 -108.768 6.74677 -6.44274 -74.2416 PRESSAVG: 2126000 36.1589 5.51418 -17.8547 5.51419 41.361 -9.83916 -17.8546 -9.83918 -73.7041 GPRESSAVG: 2126000 37.5967 4.23213 -20.6607 8.28155 40.7115 -10.1529 -15.0018 -9.18423 -74.6419 TIMING: 2126000 CPU: 6328.25, 0.00298817/step Wall: 6328.25, 0.00298817/step, 2.38555 hours remaining, 205.996094 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: 2126000 705.1855 2141.7029 1915.8340 116.5099 -206030.9127 17671.5899 0.0000 0.0000 34028.3385 -149451.7521 297.1779 -183480.0906 -149360.9455 298.6348 -4.6116 24.4692 557798.6126 1.2719 1.2221 PRESSURE: 2126200 -307.603 -59.0238 135.191 -59.0231 -296.705 -51.5802 135.189 -51.5791 66.9712 GPRESSURE: 2126200 -322.634 -25.6374 19.7173 -109.413 -193.181 -214.673 176.759 61.7317 91.8656 PRESSAVG: 2126200 56.6223 41.0511 -17.6772 41.0512 5.71328 20.8588 -17.6772 20.8586 -56.4438 GPRESSAVG: 2126200 55.7189 41.7201 -16.1315 39.9403 5.30329 21.8164 -18.3023 19.8652 -55.2571 TIMING: 2126200 CPU: 6328.85, 0.00299928/step Wall: 6328.85, 0.00299928/step, 2.39426 hours remaining, 205.996094 MB of memory in use. ENERGY: 2126200 750.3889 2110.7941 1935.3702 117.7271 -206295.6966 17672.7165 0.0000 0.0000 34224.2459 -149484.4539 298.8889 -183708.6998 -149397.0001 299.2828 -179.1120 -141.3162 556739.1930 1.9639 1.9217 PRESSURE: 2126400 -167.682 -100.607 70.2017 -100.606 -80.7445 15.5925 70.2015 15.5906 33.3069 GPRESSURE: 2126400 -124.831 -131.691 48.7082 -80.3467 -40.1987 33.4606 87.665 -49.2741 55.1823 PRESSAVG: 2126400 -41.286 31.096 -1.74716 31.096 23.8926 -15.2714 -1.74724 -15.2713 20.1508 GPRESSAVG: 2126400 -41.7768 30.6947 -0.970046 29.9464 24.7735 -17.49 -3.46344 -13.5757 19.5568 TIMING: 2126400 CPU: 6329.45, 0.00298533/step Wall: 6329.45, 0.00298533/step, 2.38295 hours remaining, 205.996094 MB of memory in use. ENERGY: 2126400 763.7602 2087.9970 1917.0831 116.8826 -206264.4990 17741.4343 0.0000 0.0000 34318.7575 -149318.5844 299.7142 -183637.3419 -149226.5385 298.9471 -71.7064 -36.6159 556538.4758 0.9191 0.8512 PRESSURE: 2126600 -110.122 -3.02384 -193.278 -3.02411 -129.89 -52.7381 -193.278 -52.7372 170.083 GPRESSURE: 2126600 -96.934 -23.8789 -179.32 -54.7382 -54.3705 -109.85 -133.799 36.2383 181.44 PRESSAVG: 2126600 -32.049 -2.34943 -2.14222 -2.3494 49.8853 25.4288 -2.14212 25.4288 -1.95853 GPRESSAVG: 2126600 -30.7616 -4.35757 -5.41109 0.378003 49.6007 28.4262 1.23004 23.4485 -2.61454 TIMING: 2126600 CPU: 6330.05, 0.00298614/step Wall: 6330.05, 0.00298614/step, 2.38344 hours remaining, 205.996094 MB of memory in use. ENERGY: 2126600 722.8474 2046.8490 1943.0056 119.5581 -206185.9216 17919.7743 0.0000 0.0000 34101.8382 -149332.0489 297.8198 -183433.8871 -149240.6378 298.9076 -23.3096 10.0451 558536.0488 5.2926 5.4082 PRESSURE: 2126800 -23.1115 -121.951 23.1182 -121.951 -155.608 21.5878 23.1188 21.5895 115.53 GPRESSURE: 2126800 49.9542 -138.41 -66.1782 -119.027 -137.84 59.7312 15.1143 6.01589 121.085 PRESSAVG: 2126800 1.70672 -3.49759 -48.841 -3.49756 -20.0511 66.4989 -48.841 66.499 48.5797 GPRESSAVG: 2126800 1.82349 -2.1861 -45.6423 -6.1619 -19.3629 67.5937 -49.8188 67.1153 47.7724 TIMING: 2126800 CPU: 6330.65, 0.00300123/step Wall: 6330.65, 0.00300123/step, 2.39532 hours remaining, 205.996094 MB of memory in use. ENERGY: 2126800 760.9882 2096.7254 1935.1099 114.2399 -206322.5337 17841.5450 0.0000 0.0000 34223.1544 -149350.7708 298.8793 -183573.9252 -149252.5310 299.1334 -21.0631 11.0666 558183.4547 10.0784 10.0777 PRESSURE: 2127000 168.186 149.496 88.245 149.495 -58.6381 56.6876 88.2449 56.6866 230.133 GPRESSURE: 2127000 220.408 114.028 72.4909 129.763 3.44784 68.6664 107.096 113.446 227.016 PRESSAVG: 2127000 -19.1544 16.8951 25.1658 16.8949 -17.1184 31.6626 25.1658 31.6624 57.208 GPRESSAVG: 2127000 -19.2925 18.4531 23.413 15.2234 -16.9709 29.7783 24.2433 31.9872 57.4283 TIMING: 2127000 CPU: 6331.25, 0.00298264/step Wall: 6331.25, 0.00298264/step, 2.38031 hours remaining, 205.996094 MB of memory in use. ENERGY: 2127000 752.9181 2091.0362 1964.6158 113.5510 -206547.8919 17935.4532 0.0000 0.0000 34288.0896 -149402.2282 299.4464 -183690.3177 -149306.2149 298.5229 113.2269 150.2907 557164.4982 6.9784 7.0550 PRESSURE: 2127200 -49.2465 -49.5153 128.067 -49.5141 14.9734 49.0647 128.066 49.065 209.508 GPRESSURE: 2127200 -21.7035 -53.1025 110.629 38.4159 83.9757 75.4748 170.284 75.0488 211.284 PRESSAVG: 2127200 15.4416 2.87259 32.0245 2.87263 -54.1849 2.28155 32.0245 2.28145 42.9292 GPRESSAVG: 2127200 14.8327 1.13582 33.865 4.84277 -54.0527 1.93658 33.4266 -0.364361 43.6343 TIMING: 2127200 CPU: 6331.85, 0.0030041/step Wall: 6331.85, 0.0030041/step, 2.39727 hours remaining, 205.996094 MB of memory in use. ENERGY: 2127200 745.1296 2087.8018 1939.1264 102.8316 -206202.0181 17895.6202 0.0000 0.0000 34128.9365 -149302.5720 298.0565 -183431.5084 -149214.5231 298.8738 58.4117 91.1853 556530.9181 1.3953 1.4714 PRESSURE: 2127400 -132.36 -8.94766 -35.4166 -8.94605 -103.049 130.985 -35.4171 130.986 -229.359 GPRESSURE: 2127400 -137.571 -39.9722 8.31837 -29.5338 -50.7101 155.61 -39.2233 162.726 -177.114 PRESSAVG: 2127400 27.2268 28.3239 -11.4871 28.3238 17.0184 35.9085 -11.487 35.9084 6.0577 GPRESSAVG: 2127400 27.4424 28.7805 -13.4034 27.9209 17.1454 37.2934 -12.5439 38.5186 5.85736 TIMING: 2127400 CPU: 6332.44, 0.00298625/step Wall: 6332.44, 0.00298625/step, 2.38286 hours remaining, 205.996094 MB of memory in use. ENERGY: 2127400 799.5492 2124.3081 1948.1185 118.5106 -206312.3445 17706.4734 0.0000 0.0000 34216.1331 -149399.2518 298.8180 -183615.3848 -149296.6380 299.1327 -154.9229 -121.7984 556251.9345 16.7676 16.8151 PRESSURE: 2127600 1.70723 40.9279 -65.7102 40.9276 -74.8179 -124.971 -65.7105 -124.97 -66.283 GPRESSURE: 2127600 7.94704 2.26989 -64.178 90.9322 -36.8278 -228.035 -60.6626 -3.2069 -1.23127 PRESSAVG: 2127600 2.21946 57.8771 17.1965 57.8772 9.17589 47.2559 17.1964 47.2558 -6.69915 GPRESSAVG: 2127600 1.00932 56.9168 18.755 57.8419 9.77292 46.76 15.8846 46.4972 -5.83228 TIMING: 2127600 CPU: 6333.04, 0.0029697/step Wall: 6333.04, 0.0029697/step, 2.36949 hours remaining, 205.996094 MB of memory in use. ENERGY: 2127600 731.9822 2146.7925 1937.2607 129.5186 -206219.5809 17800.7682 0.0000 0.0000 34149.9860 -149323.2727 298.2403 -183473.2587 -149225.5262 298.4469 -46.4645 -10.0374 557218.3278 1.5654 1.6500 PRESSURE: 2127800 -84.9692 115.136 -101.294 115.135 32.7986 96.3702 -101.294 96.3709 -141.607 GPRESSURE: 2127800 -59.605 120.533 -48.258 118.607 60.6474 116.396 -29.8112 180.472 -97.1782 PRESSAVG: 2127800 13.1249 7.56298 -70.3767 7.56296 52.509 16.0608 -70.3766 16.0607 -25.7228 GPRESSAVG: 2127800 13.6788 7.07841 -69.8349 7.23725 51.6089 16.956 -71.6841 15.8788 -25.043 TIMING: 2127800 CPU: 6333.64, 0.00299166/step Wall: 6333.64, 0.00299166/step, 2.38685 hours remaining, 205.996094 MB of memory in use. ENERGY: 2127800 707.0297 2099.7706 1965.4377 129.4091 -206014.1299 17552.5142 0.0000 0.0000 34107.4192 -149452.5494 297.8686 -183559.9686 -149365.3652 298.9446 -64.5926 -32.0453 557912.3894 13.3037 13.4149 PRESSURE: 2128000 14.611 -29.5993 125.024 -29.5988 -104.538 -31.5906 125.024 -31.5918 74.1085 GPRESSURE: 2128000 73.7949 -118.294 101.023 65.6787 -99.5005 -74.3689 133.432 -50.938 104.311 PRESSAVG: 2128000 31.7276 -2.00286 -18.9985 -2.00284 -92.2124 27.943 -18.9986 27.9431 14.522 GPRESSAVG: 2128000 33.0166 -0.929863 -21.4773 -1.69562 -92.7379 25.3238 -14.7438 29.571 13.2469 TIMING: 2128000 CPU: 6334.24, 0.00300232/step Wall: 6334.24, 0.00300232/step, 2.39518 hours remaining, 205.996094 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: 2128000 729.1171 2087.1084 1939.7643 128.4876 -206391.4854 17771.1671 0.0000 0.0000 34339.7699 -149396.0710 299.8978 -183735.8408 -149305.4363 298.8520 -5.2730 26.2017 556454.7746 -15.3209 -15.4914 PRESSURE: 2128200 63.5038 36.3918 -155.574 36.3902 129.784 92.601 -155.574 92.6004 191.634 GPRESSURE: 2128200 113.81 111.578 -227.211 -1.58532 128.104 127.101 -113.461 59.2429 244.882 PRESSAVG: 2128200 35.1917 -5.77269 -9.40572 -5.77277 -6.99364 49.312 -9.40563 49.3119 -9.03907 GPRESSAVG: 2128200 33.9558 -4.17444 -7.17522 -8.04178 -6.40111 51.8393 -10.9653 46.851 -8.62979 TIMING: 2128200 CPU: 6334.84, 0.0029925/step Wall: 6334.84, 0.0029925/step, 2.38719 hours remaining, 205.996094 MB of memory in use. ENERGY: 2128200 682.2749 2102.0507 1933.2024 117.2648 -206541.5428 18026.1908 0.0000 0.0000 34252.5826 -149427.9767 299.1363 -183680.5592 -149331.3277 298.9551 128.3074 162.2653 556571.0054 6.3863 6.3083 LDB: ============= START OF LOAD BALANCING ============== 6338.26 LDB: ============== END OF LOAD BALANCING =============== 6338.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6338.27 LDB: ============= START OF LOAD BALANCING ============== 6338.56 LDB: Largest compute 4847 load 0.026405 is 22.4% of average load 0.118126 LDB: Average compute 0.001716 is 1.5% of average load 0.118126 LDB: TIME 6338.56 LOAD: AVG 0.118126 MAX 0.202376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 6338.56 LOAD: AVG 0.118126 MAX 0.202376 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.707 MB LDB: TIME 6338.57 LOAD: AVG 0.118126 MAX 0.202376 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6338.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6338.57 PRESSURE: 2128400 157.789 -118.741 -105.315 -118.74 -26.7954 -119.322 -105.314 -119.323 57.3955 GPRESSURE: 2128400 242.961 -90.5534 -30.7418 -105.984 -22.2504 -3.46562 -136.132 -193.134 65.0805 PRESSAVG: 2128400 -6.95272 -21.8307 -27.085 -21.8307 17.6447 -5.96915 -27.085 -5.96903 55.0497 GPRESSAVG: 2128400 -6.92784 -25.4919 -28.4839 -19.3029 17.5228 -7.24118 -27.8845 -5.24184 55.0932 TIMING: 2128400 CPU: 6335.44, 0.00303224/step Wall: 6335.44, 0.00303224/step, 2.41872 hours remaining, 207.785156 MB of memory in use. ENERGY: 2128400 727.2685 2039.5825 1941.5738 107.5045 -206467.1569 17903.1877 0.0000 0.0000 34240.9545 -149507.0854 299.0348 -183748.0399 -149403.7952 298.4085 62.7965 95.2638 556198.4593 21.9139 21.8961 PRESSURE: 2128600 -58.4793 -4.00015 52.2186 -3.99958 100.136 -80.5627 52.2176 -80.5618 -49.7653 GPRESSURE: 2128600 -98.9871 -68.8738 36.701 -27.0791 115.035 -55.9396 65.6911 -154.111 69.1983 PRESSAVG: 2128600 46.9545 -43.1292 -8.24581 -43.1293 -30.9585 14.0898 -8.24589 14.0897 -18.978 GPRESSAVG: 2128600 46.0718 -42.645 -7.08739 -42.6642 -30.9542 12.7893 -7.78233 14.2018 -18.8789 TIMING: 2128600 CPU: 6336.04, 0.00298664/step Wall: 6336.04, 0.00298664/step, 2.38218 hours remaining, 207.988281 MB of memory in use. ENERGY: 2128600 752.5380 2082.8895 1942.0800 122.7033 -206443.8531 17846.8560 0.0000 0.0000 34179.7421 -149517.0442 298.5002 -183696.7863 -149425.8808 298.0651 -2.7028 28.4153 557118.9241 -0.9940 -1.2538 PRESSURE: 2128800 -178.595 43.8707 -92.321 43.8701 -122.241 63.9854 -92.3218 63.9856 -8.15546 GPRESSURE: 2128800 -155.452 39.9382 -122.298 -0.761627 -99.0936 82.349 -57.0505 70.3316 44.849 PRESSAVG: 2128800 4.11765 -26.6717 44.9306 -26.6717 39.7895 -34.8723 44.9305 -34.8723 -50.0083 GPRESSAVG: 2128800 5.24845 -26.4016 45.243 -26.6843 39.3481 -34.9504 43.6136 -32.5226 -50.1746 TIMING: 2128800 CPU: 6336.63, 0.0029736/step Wall: 6336.63, 0.0029736/step, 2.37161 hours remaining, 207.988281 MB of memory in use. ENERGY: 2128800 735.0402 2056.6828 1946.8830 114.1156 -206351.4062 17642.6586 0.0000 0.0000 34371.2603 -149484.7658 300.1728 -183856.0261 -149392.1921 298.6543 -102.9973 -69.8990 557443.0326 -2.0337 -1.8593 PRESSURE: 2129000 -335.212 -230.444 93.1692 -230.444 50.6181 -1.24786 93.1687 -1.24923 -210.471 GPRESSURE: 2129000 -263.847 -115.965 111.198 -262.976 62.9097 0.0753331 95.6691 -48.239 -194.559 PRESSAVG: 2129000 -71.9999 22.5684 -21.1101 22.5684 42.5653 6.8402 -21.1099 6.84025 40.7224 GPRESSAVG: 2129000 -71.1367 24.756 -22.3704 22.34 42.6621 10.2201 -20.0636 5.6368 39.9516 TIMING: 2129000 CPU: 6337.23, 0.00298218/step Wall: 6337.23, 0.00298218/step, 2.37829 hours remaining, 207.988281 MB of memory in use. ENERGY: 2129000 763.0556 2069.9732 1930.6168 110.5180 -206151.3090 17813.2557 0.0000 0.0000 34145.3512 -149318.5384 298.1998 -183463.8896 -149217.7131 298.4575 -165.0218 -131.8320 559090.9180 3.7626 3.8257 PRESSURE: 2129200 168.466 -33.08 -203.836 -33.0805 -83.6152 -67.0089 -203.836 -67.0088 238.727 GPRESSURE: 2129200 187.945 -36.0023 -76.5361 -101.588 -26.6166 -172.429 -239.546 -96.7525 256.582 PRESSAVG: 2129200 24.4507 -23.1973 -32.0803 -23.1973 8.37487 -50.6244 -32.0804 -50.6243 -34.6216 GPRESSAVG: 2129200 23.2095 -23.7529 -31.2814 -23.2814 9.05379 -50.8043 -33.3894 -50.9959 -34.3504 TIMING: 2129200 CPU: 6337.83, 0.00298617/step Wall: 6337.83, 0.00298617/step, 2.3813 hours remaining, 207.988281 MB of memory in use. ENERGY: 2129200 719.2577 2118.3794 1951.1071 114.7466 -206768.7164 18216.6122 0.0000 0.0000 34281.8009 -149366.8125 299.3915 -183648.6134 -149269.2400 298.9544 107.8593 139.3035 558392.3200 -0.5987 -0.6957 PRESSURE: 2129400 260.021 -27.719 -54.7049 -27.7193 -17.7524 48.4778 -54.705 48.4792 -157.528 GPRESSURE: 2129400 253.225 -49.5082 89.5012 -46.0904 24.3518 -17.169 -53.448 5.81346 -102.871 PRESSAVG: 2129400 -8.81572 32.0867 -10.5191 32.0867 32.0125 -11.2244 -10.519 -11.2244 -29.1193 GPRESSAVG: 2129400 -7.97194 29.5199 -10.2274 33.3176 31.0393 -14.4256 -10.0758 -10.5372 -29.1597 TIMING: 2129400 CPU: 6338.43, 0.00299415/step Wall: 6338.43, 0.00299415/step, 2.3875 hours remaining, 207.988281 MB of memory in use. ENERGY: 2129400 740.2009 2041.9992 1958.5856 123.2101 -206450.7484 17950.7473 0.0000 0.0000 34318.4077 -149317.5977 299.7112 -183636.0053 -149221.9675 299.4125 28.2468 58.2354 557136.7880 -1.9742 -2.0308 PRESSURE: 2129600 262.57 -75.0292 59.3342 -75.0302 -197.56 -88.7666 59.3332 -88.7656 -63.003 GPRESSURE: 2129600 313.588 0.989426 60.6526 -140.245 -160.819 -57.8691 76.032 -125.988 -61.0399 PRESSAVG: 2129600 8.92658 25.0102 -11.1054 25.0102 33.1857 45.4621 -11.1054 45.4621 -34.7571 GPRESSAVG: 2129600 8.87884 26.3116 -14.015 24.344 32.4992 47.2776 -10.5576 45.7159 -34.8088 TIMING: 2129600 CPU: 6339.02, 0.00296169/step Wall: 6339.02, 0.00296169/step, 2.36146 hours remaining, 207.988281 MB of memory in use. ENERGY: 2129600 747.3951 2135.9464 1954.5536 108.1137 -206090.9255 17786.7052 0.0000 0.0000 34227.5081 -149130.7035 298.9173 -183358.2116 -149028.0636 299.5240 0.6692 30.5766 557179.9310 2.4517 2.1898 PRESSURE: 2129800 -322.026 31.4277 -133.302 31.4266 -328.254 -105.292 -133.302 -105.293 152.764 GPRESSURE: 2129800 -268.243 -12.0245 -138.448 10.7482 -355.793 -76.2308 -151.568 -84.4781 216.241 PRESSAVG: 2129800 5.31373 48.8834 -39.828 48.8836 -31.3446 7.37489 -39.8281 7.37487 36.8242 GPRESSAVG: 2129800 5.75659 48.5192 -37.9309 46.2027 -30.8932 7.80962 -40.0351 7.75068 35.7011 TIMING: 2129800 CPU: 6339.61, 0.00295686/step Wall: 6339.61, 0.00295686/step, 2.35744 hours remaining, 207.988281 MB of memory in use. ENERGY: 2129800 702.5709 2105.6954 1937.5414 104.6262 -205798.9427 17407.8368 0.0000 0.0000 34337.4291 -149203.2429 299.8773 -183540.6720 -149108.7577 299.5699 -165.8386 -135.9317 556531.4108 3.5978 3.5215 PRESSURE: 2130000 29.1235 78.5842 39.3147 78.5837 313.995 -67.3918 39.3155 -67.3902 27.6321 GPRESSURE: 2130000 126.788 67.3979 73.4329 89.2859 317.262 -130.679 23.1167 -35.0961 27.5841 PRESSAVG: 2130000 21.5353 12.2765 -24.2028 12.2764 -40.0469 -28.797 -24.2028 -28.797 16.0179 GPRESSAVG: 2130000 19.8967 12.5877 -23.1854 11.4663 -40.1062 -31.2587 -26.6618 -28.4722 17.396 TIMING: 2130000 CPU: 6340.2, 0.0029601/step Wall: 6340.2, 0.0029601/step, 2.35986 hours remaining, 207.988281 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: 2130000 747.4439 2093.3254 1948.3570 116.0185 -206253.3933 17968.6742 0.0000 0.0000 34268.2720 -149111.3021 299.2733 -183379.5741 -149014.7606 299.3994 123.5834 157.2114 556516.1623 -0.8313 -0.9378 PRESSURE: 2130200 -14.275 82.7273 36.7096 82.7262 -109.442 -101.662 36.71 -101.661 -75.417 GPRESSURE: 2130200 2.81768 29.0995 34.4402 69.1679 -24.9814 -42.3439 -81.1932 -181.095 -86.0725 PRESSAVG: 2130200 -20.5546 -31.7886 -19.3754 -31.7885 -18.1711 -65.8659 -19.3755 -65.866 1.83664 GPRESSAVG: 2130200 -20.1007 -31.4675 -19.6289 -28.5377 -18.7078 -63.3297 -18.6489 -67.3502 2.36567 TIMING: 2130200 CPU: 6340.8, 0.00299196/step Wall: 6340.8, 0.00299196/step, 2.38509 hours remaining, 207.988281 MB of memory in use. ENERGY: 2130200 756.5978 2085.8219 1944.3830 128.5407 -206351.1249 17688.5804 0.0000 0.0000 34465.6632 -149281.5379 300.9972 -183747.2011 -149180.7010 299.1120 -66.3781 -36.0787 558540.1542 -12.2964 -12.1476 PRESSURE: 2130400 137.402 161.335 -7.09504 161.334 192.319 -107.762 -7.09531 -107.761 343.291 GPRESSURE: 2130400 183.277 146.203 -92.1677 167.645 229.096 7.37147 81.06 -159.532 349.964 PRESSAVG: 2130400 -49.2129 37.3466 -32.7946 37.3466 -19.3044 -56.6574 -32.7947 -56.6575 93.66 GPRESSAVG: 2130400 -48.9146 36.4217 -34.5301 36.9097 -18.6211 -58.4969 -31.8257 -54.787 92.3432 TIMING: 2130400 CPU: 6341.4, 0.00298663/step Wall: 6341.4, 0.00298663/step, 2.38067 hours remaining, 207.988281 MB of memory in use. ENERGY: 2130400 736.1333 2087.4732 1949.2446 109.5469 -206603.6830 18153.6082 0.0000 0.0000 34246.6261 -149321.0507 299.0843 -183567.6767 -149230.3101 299.1211 224.3374 254.1123 556390.4610 8.3809 8.2691 PRESSURE: 2130600 144.236 10.8511 -72.4769 10.8522 -76.423 76.6308 -72.476 76.6302 68.8924 GPRESSURE: 2130600 188.05 -14.4206 12.3888 -35.5195 -45.5597 135.616 -51.1345 -16.5717 103.838 PRESSAVG: 2130600 2.68847 52.5598 -53.125 52.5598 -9.08216 -40.8768 -53.125 -40.8769 -15.9122 GPRESSAVG: 2130600 1.71548 54.192 -51.78 50.7602 -9.62034 -40.0353 -53.2523 -42.3657 -14.5296 TIMING: 2130600 CPU: 6342, 0.00301068/step Wall: 6342, 0.00301068/step, 2.39968 hours remaining, 207.988281 MB of memory in use. ENERGY: 2130600 786.1604 2026.8289 1958.8638 112.8827 -206742.6635 18026.2163 0.0000 0.0000 34305.1025 -149526.6088 299.5950 -183831.7113 -149425.2659 298.4665 45.5684 82.1093 557138.4283 -7.4353 -7.4781 PRESSURE: 2130800 -70.3326 -4.55062 -151.765 -4.55171 -212.383 -12.8783 -151.765 -12.8774 -78.2642 GPRESSURE: 2130800 -71.3712 28.1852 -158.576 -39.6278 -182.118 -27.3814 -153.456 -12.4251 -12.8626 PRESSAVG: 2130800 -0.883088 -16.5857 -17.2879 -16.5857 -8.13068 -13.3975 -17.288 -13.3974 33.1768 GPRESSAVG: 2130800 -1.42979 -16.7205 -14.937 -17.0195 -7.4258 -12.5903 -19.4993 -13.5686 32.5122 TIMING: 2130800 CPU: 6342.6, 0.00299214/step Wall: 6342.6, 0.00299214/step, 2.38473 hours remaining, 207.988281 MB of memory in use. ENERGY: 2130800 775.0805 2117.5388 1946.6972 113.6420 -206344.5783 17730.1491 0.0000 0.0000 34313.6892 -149347.7814 299.6700 -183661.4706 -149255.5599 299.2859 -120.3266 -88.7838 556721.1369 8.0543 7.8855 PRESSURE: 2131000 -41.9532 -87.2873 -237.333 -87.2864 31.2872 -44.2887 -237.334 -44.2868 -257.828 GPRESSURE: 2131000 -29.0988 -180.147 -211.189 -51.8798 74.7798 -137.263 -219.502 -13.7322 -220.366 PRESSAVG: 2131000 -17.5606 -11.7581 8.47612 -11.7581 21.8339 -25.8904 8.47612 -25.8903 -29.0569 GPRESSAVG: 2131000 -17.1508 -11.6347 7.01819 -11.7631 22.1977 -27.045 9.32817 -23.6441 -30.211 TIMING: 2131000 CPU: 6343.2, 0.00299193/step Wall: 6343.2, 0.00299193/step, 2.3844 hours remaining, 207.988281 MB of memory in use. ENERGY: 2131000 708.9115 2183.5586 1978.4413 119.9734 -206052.4676 17612.4380 0.0000 0.0000 34054.5019 -149394.6429 297.4064 -183449.1448 -149303.7283 298.8629 -89.4980 -58.2282 556642.0383 -8.2612 -8.3880 PRESSURE: 2131200 61.5855 -62.7448 43.1434 -62.7443 5.75659 134.618 43.1434 134.618 37.2047 GPRESSURE: 2131200 92.1323 -62.8019 120.29 -140.288 54.1669 187.149 -41.7529 124.863 57.7041 PRESSAVG: 2131200 5.21076 60.2744 -19.2165 60.2743 -6.8598 -16.611 -19.2166 -16.611 30.3565 GPRESSAVG: 2131200 6.79409 57.9565 -19.7619 61.6546 -8.89745 -17.8375 -19.5907 -16.3698 30.6724 TIMING: 2131200 CPU: 6343.79, 0.00299209/step Wall: 6343.79, 0.00299209/step, 2.38437 hours remaining, 207.988281 MB of memory in use. ENERGY: 2131200 730.8483 2092.0280 1985.5483 119.7694 -206479.9864 17935.1300 0.0000 0.0000 34310.5077 -149306.1548 299.6422 -183616.6624 -149208.1952 298.8776 34.8489 68.0011 555976.4640 9.5691 9.5230 PRESSURE: 2131400 -4.48979 -9.9224 -109.588 -9.92282 -79.4963 -84.8482 -109.588 -84.8484 -146.436 GPRESSURE: 2131400 79.6115 71.4629 -92.1435 -47.6466 -94.6421 -102.564 -86.0526 -122.931 -111.869 PRESSAVG: 2131400 83.2042 -26.5605 -13.1783 -26.5604 -34.5001 -29.9164 -13.1783 -29.9164 -7.36236 GPRESSAVG: 2131400 81.3989 -23.7042 -12.9406 -27.7587 -33.2486 -29.6663 -13.0895 -30.9637 -6.81138 TIMING: 2131400 CPU: 6344.39, 0.00298657/step Wall: 6344.39, 0.00298656/step, 2.37979 hours remaining, 207.988281 MB of memory in use. ENERGY: 2131400 747.4686 2041.9297 1949.9766 121.4679 -206241.4895 17783.2459 0.0000 0.0000 34357.9367 -149239.4641 300.0564 -183597.4008 -149148.3271 299.1712 -76.8073 -42.2998 556905.3945 13.7806 13.7796 PRESSURE: 2131600 -110.416 -113.288 258.684 -113.286 -25.3451 -12.1299 258.683 -12.1297 -155.183 GPRESSURE: 2131600 -84.4601 -100.395 251.821 -11.0532 55.779 18.3356 193.767 33.3192 -154.23 PRESSAVG: 2131600 12.9962 -10.9648 12.6092 -10.9648 -23.0741 29.7477 12.6092 29.7478 -18.6925 GPRESSAVG: 2131600 13.7123 -10.6857 10.7758 -11.398 -23.4747 31.4427 13.3095 29.4632 -19.2689 TIMING: 2131600 CPU: 6344.99, 0.00296735/step Wall: 6344.99, 0.00296735/step, 2.36432 hours remaining, 207.988281 MB of memory in use. ENERGY: 2131600 748.5957 2069.4902 1915.7543 108.8516 -206299.6612 17858.6137 0.0000 0.0000 34226.8949 -149371.4608 298.9120 -183598.3557 -149277.5428 299.1998 -96.9811 -60.9705 555363.6495 -9.5901 -9.6771 PRESSURE: 2131800 -44.3367 -165.771 -21.5201 -165.769 48.4791 109.278 -21.5201 109.279 -124.288 GPRESSURE: 2131800 -44.0658 -96.7842 54.6592 -119.425 79.8514 154.756 -156.832 49.6258 -77.5825 PRESSAVG: 2131800 -35.0351 8.1346 52.8238 8.13464 31.4309 25.173 52.8237 25.173 -25.2866 GPRESSAVG: 2131800 -35.4066 8.01951 51.8647 8.28401 31.2843 23.7148 53.1562 24.7149 -25.238 TIMING: 2131800 CPU: 6345.58, 0.0029597/step Wall: 6345.58, 0.0029597/step, 2.35806 hours remaining, 207.988281 MB of memory in use. ENERGY: 2131800 765.0437 2067.6654 1946.5523 110.4414 -205953.9136 17600.7146 0.0000 0.0000 34345.4025 -149118.0937 299.9469 -183463.4962 -149020.7453 299.8267 -40.0484 -13.9323 557591.1982 -9.6302 -9.7868 PRESSURE: 2132000 18.5356 -77.5265 32.3507 -77.5262 -104.151 -49.9359 32.3514 -49.936 -16.5786 GPRESSURE: 2132000 75.7598 -92.9133 27.3405 -47.9945 -118.701 -118.751 18.0915 -66.7515 34.2819 PRESSAVG: 2132000 56.831 15.7855 2.9419 15.7856 -6.5722 -18.919 2.94185 -18.9189 -40.2155 GPRESSAVG: 2132000 56.8658 15.8399 6.51382 14.6107 -5.77155 -18.7632 2.18455 -19.224 -40.8011 TIMING: 2132000 CPU: 6346.17, 0.00297922/step Wall: 6346.17, 0.00297922/step, 2.37345 hours remaining, 207.988281 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: 2132000 729.7715 2030.2940 1974.7799 113.0121 -205838.9292 17749.7444 0.0000 0.0000 34195.4214 -149045.9058 298.6371 -183241.3273 -148948.6008 299.6854 -34.0647 -2.8865 558176.3822 3.3478 3.4311 PRESSURE: 2132200 346.807 -99.3327 -61.2147 -99.3326 115.779 -65.6445 -61.2148 -65.6453 25.1896 GPRESSURE: 2132200 346.082 -105.121 -57.0504 -32.9359 185.67 -57.5357 -31.5868 -95.7513 49.7713 PRESSAVG: 2132200 46.1042 -40.1253 10.3928 -40.1253 -3.01887 -32.7568 10.3928 -32.7569 -39.1987 GPRESSAVG: 2132200 46.4936 -42.1005 9.38944 -37.8196 -3.37732 -32.2499 11.0444 -32.0812 -39.1633 TIMING: 2132200 CPU: 6346.77, 0.00295963/step Wall: 6346.77, 0.00295963/step, 2.35768 hours remaining, 207.988281 MB of memory in use. ENERGY: 2132200 741.5113 2098.6985 1953.8858 109.9847 -206179.3452 17782.9476 0.0000 0.0000 34267.0933 -149225.2240 299.2630 -183492.3174 -149132.2800 299.3063 162.5917 193.8409 555749.2027 1.2955 1.3177 LDB: ============= START OF LOAD BALANCING ============== 6350.19 LDB: ============== END OF LOAD BALANCING =============== 6350.19 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6350.19 LDB: ============= START OF LOAD BALANCING ============== 6350.5 LDB: Largest compute 4847 load 0.025159 is 21.3% of average load 0.118097 LDB: Average compute 0.001720 is 1.5% of average load 0.118097 LDB: TIME 6350.5 LOAD: AVG 0.118097 MAX 0.204219 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.93 MB LDB: TIME 6350.5 LOAD: AVG 0.118097 MAX 0.204219 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.992 MB LDB: TIME 6350.5 LOAD: AVG 0.118097 MAX 0.204219 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6350.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6350.51 PRESSURE: 2132400 -58.0397 -111.981 65.1365 -111.98 -22.4934 -63.8862 65.1372 -63.885 87.2536 GPRESSURE: 2132400 -18.5615 -97.3501 -27.0174 -123.76 34.7556 -77.1474 64.3435 -43.26 84.8637 PRESSAVG: 2132400 71.8269 -45.7275 25.9585 -45.7274 -23.4338 -30.2311 25.9585 -30.231 -7.58129 GPRESSAVG: 2132400 71.6482 -44.1085 24.6947 -48.3686 -23.8236 -29.7001 25.7682 -31.1624 -6.80965 TIMING: 2132400 CPU: 6347.38, 0.00305684/step Wall: 6347.38, 0.00305684/step, 2.43495 hours remaining, 205.226562 MB of memory in use. ENERGY: 2132400 755.7920 2099.1485 1950.3067 114.5898 -205947.1448 17647.4085 0.0000 0.0000 34092.9044 -149286.9951 297.7418 -183379.8995 -149189.4045 299.7013 2.2402 33.6859 558280.8412 13.6039 13.6716 PRESSURE: 2132600 -36.4547 -76.9756 114.603 -76.976 -258.855 -21.096 114.603 -21.0953 -94.0626 GPRESSURE: 2132600 -28.4 -66.6758 141.862 -50.1257 -234.146 16.6998 212.63 -88.4418 -28.8291 PRESSAVG: 2132600 29.6644 -44.2464 10.4485 -44.2462 39.4109 18.7666 10.4485 18.7666 -54.8431 GPRESSAVG: 2132600 30.2378 -43.2997 12.7425 -43.568 40.1659 17.3908 10.5222 20.3643 -55.6713 TIMING: 2132600 CPU: 6347.98, 0.00301229/step Wall: 6347.98, 0.00301229/step, 2.39929 hours remaining, 205.226562 MB of memory in use. ENERGY: 2132600 736.6872 2063.1915 1934.9227 107.4607 -205813.4157 17638.8124 0.0000 0.0000 34295.0788 -149037.2624 299.5075 -183332.3411 -148939.5563 299.5793 -129.7909 -97.1251 558183.1288 4.7441 4.9108 PRESSURE: 2132800 -136.705 -15.5767 177.029 -15.577 -175.409 -82.6656 177.029 -82.6652 -142.798 GPRESSURE: 2132800 -89.739 -3.9941 157.667 -14.7522 -132.982 -129.031 261.779 -35.5129 -146.694 PRESSAVG: 2132800 -25.158 15.5277 -19.2269 15.5278 26.4418 -43.77 -19.2269 -43.77 32.9328 GPRESSAVG: 2132800 -26.3958 13.9223 -17.4403 15.4787 26.9145 -43.639 -20.6739 -45.5805 33.9894 TIMING: 2132800 CPU: 6348.58, 0.00300294/step Wall: 6348.58, 0.00300294/step, 2.39168 hours remaining, 205.226562 MB of memory in use. ENERGY: 2132800 768.3565 2121.7081 1942.2932 108.7387 -205918.8016 17529.2848 0.0000 0.0000 34202.4449 -149245.9753 298.6985 -183448.4202 -149149.1172 299.3206 -151.6371 -123.1386 558842.0357 11.4055 11.5027 PRESSURE: 2133000 -220.929 107.519 -171.807 107.521 -65.1273 -292.544 -171.804 -292.543 -187.336 GPRESSURE: 2133000 -194.645 144.15 -169.477 85.4142 -13.6349 -341.553 -177.235 -289.447 -167.215 PRESSAVG: 2133000 -29.938 8.00221 17.7623 8.00239 15.2098 -105.723 17.7621 -105.723 21.1365 GPRESSAVG: 2133000 -28.7762 6.20443 15.7784 8.18508 14.5263 -106.12 17.1031 -105.183 20.8455 TIMING: 2133000 CPU: 6349.17, 0.00295986/step Wall: 6349.17, 0.00295986/step, 2.3572 hours remaining, 205.226562 MB of memory in use. ENERGY: 2133000 735.1502 2110.0156 1953.3810 104.0234 -205909.5585 17649.7362 0.0000 0.0000 34174.3419 -149182.9103 298.4530 -183357.2522 -149084.6544 298.5674 -157.7973 -125.1651 558591.7636 2.1361 2.1985 PRESSURE: 2133200 -235.5 107.241 92.9598 107.24 -67.5081 -19.8089 92.9598 -19.8084 -487.982 GPRESSURE: 2133200 -193.486 163.488 98.7792 101.324 -95.7862 -29.9247 82.6766 82.621 -396.958 PRESSAVG: 2133200 -47.8703 -32.1022 -20.507 -32.1021 108.988 -19.9355 -20.5069 -19.9354 -41.5682 GPRESSAVG: 2133200 -48.3378 -30.3385 -21.3311 -32.6903 109.454 -18.9404 -17.3264 -20.8943 -41.4752 TIMING: 2133200 CPU: 6349.76, 0.0029553/step Wall: 6349.76, 0.0029553/step, 2.3534 hours remaining, 205.226562 MB of memory in use. ENERGY: 2133200 765.5144 2124.6879 1933.6952 100.6189 -206079.7803 17649.4191 0.0000 0.0000 34124.1350 -149381.7099 298.0146 -183505.8449 -149292.5746 298.5036 -263.6635 -228.7435 559012.5748 6.5166 6.5470 PRESSURE: 2133400 -177.566 99.4131 48.3275 99.4143 -36.1162 -37.18 48.3285 -37.1797 -5.03999 GPRESSURE: 2133400 -141.401 65.0967 145.55 145.75 -27.8221 -73.7885 -22.2069 -26.8273 56.5298 PRESSAVG: 2133400 -26.4295 31.7005 21.9925 31.7005 -6.59146 28.529 21.9925 28.5289 -36.5249 GPRESSAVG: 2133400 -25.5536 32.4804 23.3306 32.2868 -7.16852 28.5188 19.4517 30.3328 -36.7093 TIMING: 2133400 CPU: 6350.36, 0.00296848/step Wall: 6350.36, 0.00296848/step, 2.36374 hours remaining, 205.226562 MB of memory in use. ENERGY: 2133400 722.9597 2105.1701 1943.5926 111.3780 -206483.3249 17678.7622 0.0000 0.0000 34506.3413 -149415.1210 301.3525 -183921.4623 -149320.1809 299.1052 -72.9074 -37.5645 556918.3242 -23.1819 -23.1438 PRESSURE: 2133600 -184.461 8.2948 6.97033 8.2945 -110.564 63.6511 6.97016 63.6513 147.665 GPRESSURE: 2133600 -119.492 -9.50475 32.0623 -11.3508 -95.2152 -19.8771 -1.99611 -22.225 157.889 PRESSAVG: 2133600 -91.926 21.1999 -5.17367 21.1998 -2.78906 -16.5416 -5.1736 -16.5416 99.6273 GPRESSAVG: 2133600 -92.33 18.2746 -6.51814 22.5817 -2.10131 -17.2405 -4.01873 -15.7766 99.3566 TIMING: 2133600 CPU: 6350.95, 0.00298182/step Wall: 6350.95, 0.00298182/step, 2.37419 hours remaining, 205.226562 MB of memory in use. ENERGY: 2133600 770.8569 2070.2240 1975.5300 97.5533 -205978.5449 17721.0060 0.0000 0.0000 33889.2510 -149454.1237 295.9633 -183343.3747 -149357.6429 298.8494 -49.1199 -18.9395 557566.5838 1.6374 1.6418 PRESSURE: 2133800 -13.764 222.433 87.3222 222.433 -78.2877 -180.989 87.3214 -180.989 -39.7478 GPRESSURE: 2133800 17.4492 171.64 110.54 295.469 -100.519 -191.666 160.607 -175.443 49.359 PRESSAVG: 2133800 -1.89538 73.0157 32.3712 73.0157 -0.824703 -41.0852 32.3711 -41.0853 -7.14724 GPRESSAVG: 2133800 -1.9867 73.4437 33.0036 71.9216 -1.98635 -39.9668 31.8051 -43.2766 -5.42214 TIMING: 2133800 CPU: 6351.55, 0.00298607/step Wall: 6351.55, 0.00298607/step, 2.37741 hours remaining, 205.226562 MB of memory in use. ENERGY: 2133800 726.4006 2067.9933 1931.3373 112.8763 -205689.2372 17443.7426 0.0000 0.0000 34075.0087 -149331.8785 297.5855 -183406.8872 -149228.2286 298.2611 -43.9332 -11.2369 556880.5701 -3.2891 -3.1317 PRESSURE: 2134000 -200.527 -87.0219 52.0327 -87.0214 -240.852 -66.1641 52.033 -66.1651 111.643 GPRESSURE: 2134000 -138.974 -56.281 -14.4428 -87.4517 -217.87 -80.1486 25.1034 -5.58645 121.392 PRESSAVG: 2134000 11.9954 -16.7153 -10.9404 -16.7152 -35.0016 -33.0616 -10.9404 -33.0616 17.6189 GPRESSAVG: 2134000 11.9302 -16.0326 -11.1729 -16.8937 -33.017 -33.0702 -11.1776 -33.5473 16.1189 TIMING: 2134000 CPU: 6352.14, 0.00296066/step Wall: 6352.14, 0.00296066/step, 2.35701 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: 2134000 757.3539 2074.4336 1919.0990 122.5004 -205924.3631 17568.6170 0.0000 0.0000 34233.3587 -149249.0006 298.9684 -183482.3593 -149153.1023 298.1358 -109.9120 -78.4841 557758.4468 -1.7958 -1.6560 PRESSURE: 2134200 -49.9526 -72.954 141.362 -72.9547 8.07409 -27.6296 141.362 -27.6291 153.789 GPRESSURE: 2134200 -17.4945 -38.4458 110.278 -138.915 43.7158 -47.0006 234.278 -24.8857 183.476 PRESSAVG: 2134200 -45.406 -19.5634 -10.7066 -19.5633 -19.5881 -6.90222 -10.7065 -6.9023 49.7032 GPRESSAVG: 2134200 -46.2163 -20.5719 -9.38213 -18.5363 -19.6026 -7.68341 -11.611 -5.542 50.0651 TIMING: 2134200 CPU: 6352.74, 0.00296742/step Wall: 6352.74, 0.00296742/step, 2.36223 hours remaining, 205.226562 MB of memory in use. ENERGY: 2134200 743.7551 2066.7830 1943.7874 113.7608 -206234.5989 17716.9724 0.0000 0.0000 34464.2039 -149185.3363 300.9845 -183649.5402 -149090.9566 298.7879 37.3035 69.8993 556830.2653 -5.0970 -5.2513 PRESSURE: 2134400 54.5251 -96.4326 116.927 -96.432 61.8529 -107.625 116.926 -107.625 -68.1918 GPRESSURE: 2134400 56.592 -169.028 66.0382 -98.1224 146.604 -17.937 65.2822 -199.483 -68.2772 PRESSAVG: 2134400 -33.6855 -55.7794 3.51545 -55.7794 -16.133 31.6964 3.51544 31.6965 26.9923 GPRESSAVG: 2134400 -33.5819 -55.3259 3.85892 -56.5066 -16.6031 32.4565 3.50836 30.8013 27.6229 TIMING: 2134400 CPU: 6353.33, 0.002978/step Wall: 6353.33, 0.002978/step, 2.37049 hours remaining, 205.226562 MB of memory in use. ENERGY: 2134400 715.3917 2079.0765 1917.1021 110.7858 -206281.6880 17822.8202 0.0000 0.0000 34370.9319 -149265.5797 300.1699 -183636.5117 -149169.4084 299.1624 16.0620 44.9728 557931.6452 -7.6087 -7.5207 PRESSURE: 2134600 114.136 -52.9031 102.095 -52.9028 -75.6635 69.766 102.095 69.7654 45.47 GPRESSURE: 2134600 191.21 -13.5337 96.828 -46.8021 -81.855 88.2192 133.012 28.8826 62.0067 PRESSAVG: 2134600 64.783 0.42735 7.12369 0.427404 2.42091 -21.4745 7.12373 -21.4745 -24.8467 GPRESSAVG: 2134600 66.43 4.18419 6.28591 -0.671831 1.91866 -22.948 6.73377 -19.1842 -25.61 TIMING: 2134600 CPU: 6353.93, 0.00297313/step Wall: 6353.93, 0.00297313/step, 2.36644 hours remaining, 205.226562 MB of memory in use. ENERGY: 2134600 765.6812 2031.2816 1962.7331 111.1480 -206075.9876 17794.2780 0.0000 0.0000 34188.1103 -149222.7554 298.5733 -183410.8657 -149127.8108 298.6253 27.9808 57.1206 557863.0245 14.1191 14.2462 PRESSURE: 2134800 -177.146 -22.506 -107.629 -22.5057 -205.824 -62.522 -107.628 -62.5215 -188.526 GPRESSURE: 2134800 -156.466 11.4971 -58.1385 -10.9181 -166.559 -77.1192 -107.324 -23.5087 -155.681 PRESSAVG: 2134800 -28.3469 9.40741 -1.58893 9.40743 10.7129 -42.4659 -1.58887 -42.4659 -16.9112 GPRESSAVG: 2134800 -28.8783 6.45474 -2.73608 12.0162 9.13344 -43.0289 0.809606 -43.917 -15.3078 TIMING: 2134800 CPU: 6354.52, 0.00296101/step Wall: 6354.52, 0.00296101/step, 2.35664 hours remaining, 205.226562 MB of memory in use. ENERGY: 2134800 767.0358 2065.9505 1922.0029 113.4435 -205855.2025 17681.1788 0.0000 0.0000 34086.3449 -149219.2461 297.6845 -183305.5911 -149119.9109 299.5107 -190.4985 -159.5689 559551.0111 -11.5151 -11.6842 PRESSURE: 2135000 157.183 -12.1849 -111.963 -12.1848 211.957 75.1255 -111.962 75.1239 64.0798 GPRESSURE: 2135000 226.384 66.7707 -150.719 -62.3169 226.223 167.251 2.88776 45.7572 89.6936 PRESSAVG: 2135000 4.46385 60.5921 -47.2407 60.5922 -26.4697 36.8738 -47.2407 36.8737 33.9855 GPRESSAVG: 2135000 3.51993 59.8652 -45.5917 59.7173 -25.2686 38.734 -48.7261 34.1151 33.0927 TIMING: 2135000 CPU: 6355.12, 0.00298435/step Wall: 6355.12, 0.00298435/step, 2.37504 hours remaining, 205.226562 MB of memory in use. ENERGY: 2135000 669.4800 2081.0190 1936.0637 119.7089 -206407.2633 17848.8625 0.0000 0.0000 34268.2971 -149483.8321 299.2736 -183752.1292 -149389.4138 298.9841 144.4067 180.7670 555835.4641 3.9932 3.7813 PRESSURE: 2135200 -41.8423 -89.3291 -17.8731 -89.3295 -152.267 -103.593 -17.8724 -103.591 -47.4214 GPRESSURE: 2135200 -47.5254 -161.222 -63.3672 -85.6017 -108.54 -89.8637 -100.829 -130.466 10.9719 PRESSAVG: 2135200 86.1694 70.3196 -2.80206 70.3196 -48.4726 23.599 -2.80216 23.5991 -11.9502 GPRESSAVG: 2135200 86.111 72.4755 -3.68742 69.588 -48.9034 22.8905 -3.68484 25.5646 -11.8045 TIMING: 2135200 CPU: 6355.71, 0.00297889/step Wall: 6355.71, 0.00297889/step, 2.37054 hours remaining, 205.226562 MB of memory in use. ENERGY: 2135200 754.4127 2080.6469 1929.9895 107.2479 -206206.5741 17780.5770 0.0000 0.0000 34060.9078 -149492.7924 297.4624 -183553.7002 -149396.2196 298.6693 -80.5101 -48.3645 557274.5913 8.5822 8.4677 PRESSURE: 2135400 411.023 -39.6757 244.892 -39.6771 25.4294 -52.8953 244.892 -52.8962 231.995 GPRESSURE: 2135400 418.257 16.1764 257.636 -13.4149 36.6899 -32.1734 215.584 -45.624 304.716 PRESSAVG: 2135400 -27.5676 -30.3 3.91761 -30.3 37.0892 -11.7095 3.91761 -11.7095 11.2928 GPRESSAVG: 2135400 -27.2857 -29.9684 3.31438 -30.3021 37.567 -11.9572 5.5571 -10.5159 10.6462 TIMING: 2135400 CPU: 6356.3, 0.00296469/step Wall: 6356.3, 0.00296469/step, 2.35907 hours remaining, 205.226562 MB of memory in use. ENERGY: 2135400 693.6329 2066.4448 1945.2894 104.7793 -206770.5759 18128.1884 0.0000 0.0000 34294.5662 -149537.6750 299.5030 -183832.2411 -149447.2705 298.5979 222.8159 253.2210 555782.1169 6.9381 6.9758 PRESSURE: 2135600 -43.7216 -81.1185 -155.228 -81.1187 -196.712 87.267 -155.229 87.266 117.258 GPRESSURE: 2135600 6.27634 -21.5285 -191.943 -131.865 -147.71 58.3279 -60.7917 114.714 123.036 PRESSAVG: 2135600 29.9077 12.7475 2.39193 12.7475 -32.3651 69.4174 2.39184 69.4174 36.5209 GPRESSAVG: 2135600 29.0745 12.3414 4.17333 11.6663 -31.4854 70.4152 0.817469 66.1204 36.742 TIMING: 2135600 CPU: 6356.9, 0.00295938/step Wall: 6356.9, 0.00295938/step, 2.35468 hours remaining, 205.226562 MB of memory in use. ENERGY: 2135600 757.9343 2090.4819 1948.6647 114.6562 -206342.6491 17799.1453 0.0000 0.0000 34237.3306 -149394.4360 299.0031 -183631.7666 -149288.6582 299.1195 -41.0587 -6.1326 555363.6564 11.3545 11.4437 PRESSURE: 2135800 403.532 34.1873 28.9434 34.1867 -54.1482 231.828 28.9422 231.827 139.723 GPRESSURE: 2135800 413.816 8.79125 77.3359 117.147 -33.4649 137.367 -30.1359 238.512 188.013 PRESSAVG: 2135800 52.9851 4.18963 0.902396 4.18961 -43.3063 -39.8382 0.902363 -39.8384 -7.06225 GPRESSAVG: 2135800 54.1087 4.8625 -0.352245 4.51473 -44.6548 -42.1353 3.63422 -39.327 -7.04841 TIMING: 2135800 CPU: 6357.49, 0.00297468/step Wall: 6357.49, 0.00297468/step, 2.36669 hours remaining, 205.226562 MB of memory in use. ENERGY: 2135800 681.1714 2054.9837 1927.7576 112.6881 -206736.7992 17964.1045 0.0000 0.0000 34481.8443 -149514.2495 301.1385 -183996.0938 -149422.1614 299.3784 163.0357 189.4547 554858.8017 0.8722 0.8018 PRESSURE: 2136000 256.765 -145.094 -202.777 -145.093 -2.489 -155.803 -202.777 -155.804 -290.177 GPRESSURE: 2136000 290.193 -83.5673 -229.317 -102.955 7.69064 -134.148 -253.228 -113.344 -245.562 PRESSAVG: 2136000 107.776 16.4281 -24.8134 16.4281 -11.7626 -16.579 -24.8133 -16.5791 -27.7155 GPRESSAVG: 2136000 106.647 17.3377 -23.8753 17.477 -11.071 -16.4017 -26.2544 -15.9799 -27.7751 TIMING: 2136000 CPU: 6358.09, 0.00299165/step Wall: 6358.09, 0.00299165/step, 2.38003 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: 2136000 739.7557 2086.4610 1909.7932 120.2326 -206351.7451 17708.7235 0.0000 0.0000 34440.0463 -149346.7329 300.7735 -183786.7792 -149255.9828 298.9621 -11.9671 17.4404 556601.5628 22.7660 22.6003 PRESSURE: 2136200 95.4569 93.6126 40.7091 93.6127 162.342 51.5741 40.71 51.574 -107.501 GPRESSURE: 2136200 66.9602 82.2217 36.1447 54.9554 222.238 62.278 20.1678 45.827 -37.7735 PRESSAVG: 2136200 7.43877 -23.7898 2.55109 -23.7898 4.2454 19.164 2.55107 19.1639 -57.7373 GPRESSAVG: 2136200 6.42963 -26.7841 0.253415 -22.8452 4.99233 18.5588 4.77044 20.8675 -57.0374 TIMING: 2136200 CPU: 6358.69, 0.00299392/step Wall: 6358.69, 0.00299392/step, 2.38166 hours remaining, 205.226562 MB of memory in use. ENERGY: 2136200 758.5683 2091.9276 1932.8355 98.3233 -206239.2839 17759.7501 0.0000 0.0000 34415.2207 -149182.6585 300.5567 -183597.8792 -149081.0389 298.8812 50.0992 83.8081 555898.7508 -15.3511 -15.2052 LDB: ============= START OF LOAD BALANCING ============== 6362.12 LDB: ============== END OF LOAD BALANCING =============== 6362.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6362.12 LDB: ============= START OF LOAD BALANCING ============== 6362.42 LDB: Largest compute 4847 load 0.024411 is 20.7% of average load 0.118068 LDB: Average compute 0.001708 is 1.4% of average load 0.118068 LDB: TIME 6362.42 LOAD: AVG 0.118068 MAX 0.203158 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 6362.42 LOAD: AVG 0.118068 MAX 0.203158 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.801 MB LDB: TIME 6362.42 LOAD: AVG 0.118068 MAX 0.203158 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.801 MB LDB: ============== END OF LOAD BALANCING =============== 6362.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6362.43 PRESSURE: 2136400 -106.684 -70.2731 3.13745 -70.2736 -203.72 76.2256 3.13861 76.2239 -221.57 GPRESSURE: 2136400 -78.2436 -134.962 -23.6217 -108.551 -161.001 36.9297 -28.0568 112.957 -206.281 PRESSAVG: 2136400 49.5651 20.9251 38.3955 20.9251 18.8789 13.6373 38.3954 13.6373 -45.1882 GPRESSAVG: 2136400 50.7531 21.5499 39.7038 20.7716 18.126 14.7977 37.0057 14.4834 -46.1251 TIMING: 2136400 CPU: 6359.3, 0.00305512/step Wall: 6359.3, 0.00305512/step, 2.43017 hours remaining, 206.000000 MB of memory in use. ENERGY: 2136400 754.7282 2075.1272 1955.4368 114.4762 -205985.7891 17464.1542 0.0000 0.0000 34400.8251 -149221.0415 300.4310 -183621.8665 -149126.5755 299.0124 -177.3247 -148.5086 558030.0172 7.7520 7.5847 PRESSURE: 2136600 -3.38853 18.0905 -71.9989 18.0903 -59.8222 87.8263 -71.9967 87.8261 51.6636 GPRESSURE: 2136600 -17.9971 60.4071 -102.697 40.7561 39.7889 72.992 -22.9666 78.4344 79.3991 PRESSAVG: 2136600 -6.44926 -25.6926 -20.858 -25.6926 39.4869 45.7748 -20.8579 45.7747 -26.1943 GPRESSAVG: 2136600 -6.02824 -23.0556 -21.4601 -27.2432 38.8691 45.4306 -21.6745 44.6243 -25.3228 TIMING: 2136600 CPU: 6359.9, 0.00299019/step Wall: 6359.9, 0.00299019/step, 2.37836 hours remaining, 206.000000 MB of memory in use. ENERGY: 2136600 759.0222 2098.3985 1930.2009 115.5431 -206456.8846 17770.6916 0.0000 0.0000 34461.7093 -149321.3191 300.9627 -183783.0284 -149225.5235 299.2584 -3.8491 33.7303 556681.2086 2.2811 2.5060 PRESSURE: 2136800 -140.818 -59.3557 52.0997 -59.357 -135.351 3.24225 52.099 3.24192 -286.147 GPRESSURE: 2136800 -107.063 -51.2887 69.3354 -44.8057 -67.5158 -42.4577 59.6854 80.2742 -280.976 PRESSAVG: 2136800 45.3419 -32.8738 28.0776 -32.8738 -53.1371 -30.1482 28.0776 -30.1482 15.6412 GPRESSAVG: 2136800 45.2396 -33.8577 27.8219 -34.4259 -52.9346 -31.244 26.9718 -30.8926 15.6314 TIMING: 2136800 CPU: 6360.5, 0.00299927/step Wall: 6360.5, 0.00299927/step, 2.38542 hours remaining, 206.000000 MB of memory in use. ENERGY: 2136800 743.9534 2076.9251 1949.9832 116.3448 -205803.3734 17470.7416 0.0000 0.0000 34007.7441 -149437.6811 296.9981 -183445.4252 -149346.9284 298.0927 -187.4388 -151.8515 556470.3283 2.6153 2.6455 PRESSURE: 2137000 -53.1826 -25.3859 -16.0541 -25.3856 -327.847 -33.6937 -16.0546 -33.6951 200.327 GPRESSURE: 2137000 13.7236 -6.46912 51.6302 -12.367 -229.158 9.19806 -8.83008 -96.3567 146.337 PRESSAVG: 2137000 -23.8341 62.873 -50.3687 62.873 -27.8774 -12.007 -50.3687 -12.0071 87.8434 GPRESSAVG: 2137000 -24.1558 59.497 -50.9838 65.2358 -26.1454 -12.0885 -48.774 -12.8313 86.7303 TIMING: 2137000 CPU: 6361.09, 0.00298911/step Wall: 6361.09, 0.00298911/step, 2.37717 hours remaining, 206.000000 MB of memory in use. ENERGY: 2137000 744.1072 2099.1139 1918.9092 108.7705 -206576.8294 17875.2504 0.0000 0.0000 34259.3974 -149571.2808 299.1958 -183830.6782 -149476.8948 298.2680 -60.2343 -23.0324 556621.4714 12.0440 12.1430 PRESSURE: 2137200 -46.1419 3.18617 121.686 3.18497 -133.898 17.7035 121.686 17.7048 -243.92 GPRESSURE: 2137200 -34.4739 38.5373 141.502 -55.5745 -116.498 11.3479 42.9973 10.9141 -166.614 PRESSAVG: 2137200 25.3206 26.0765 -8.58055 26.0763 -55.8953 10.7364 -8.58059 10.7364 8.91196 GPRESSAVG: 2137200 24.839 27.4604 -8.96918 26.9576 -56.9984 11.5314 -9.96494 12.4274 10.863 TIMING: 2137200 CPU: 6361.69, 0.00299744/step Wall: 6361.69, 0.00299744/step, 2.38363 hours remaining, 206.000000 MB of memory in use. ENERGY: 2137200 756.5637 2081.7817 1923.9227 107.7491 -206307.1358 17739.6718 0.0000 0.0000 34191.1118 -149506.3351 298.5995 -183697.4469 -149407.0588 297.9638 -141.3199 -105.8619 558012.0838 -7.2209 -7.0988 PRESSURE: 2137400 -262.877 -132.068 126.444 -132.068 -161.418 122.201 126.444 122.202 -374.925 GPRESSURE: 2137400 -209.281 -171.32 131.856 -126.766 -117.573 56.592 35.9514 124.988 -368.999 PRESSAVG: 2137400 55.0848 24.0901 29.2542 24.0902 -17.4417 52.1826 29.2541 52.1826 -43.275 GPRESSAVG: 2137400 55.5321 25.4947 29.4387 22.1401 -17.4895 51.5769 31.27 51.5468 -43.4524 TIMING: 2137400 CPU: 6362.3, 0.00301421/step Wall: 6362.3, 0.00301421/step, 2.3968 hours remaining, 206.000000 MB of memory in use. ENERGY: 2137400 740.2670 2009.3065 1957.1012 105.7599 -205721.3958 17403.5346 0.0000 0.0000 34031.0083 -149474.4184 297.2013 -183505.4267 -149372.8420 298.5595 -266.4068 -231.9509 558468.1434 -1.8773 -1.8033 PRESSURE: 2137600 265.682 120.305 206.46 120.306 1.55229 141.033 206.461 141.033 -398.845 GPRESSURE: 2137600 287.507 114.377 181.956 107.954 28.0459 126.884 201.721 124.188 -351.993 PRESSAVG: 2137600 41.1158 39.271 17.199 39.271 -12.1236 -14.7599 17.1991 -14.7598 -29.5781 GPRESSAVG: 2137600 41.8439 40.1702 16.1103 38.9223 -11.0606 -14.751 15.2704 -11.1491 -30.9877 TIMING: 2137600 CPU: 6362.9, 0.00301474/step Wall: 6362.9, 0.00301474/step, 2.39706 hours remaining, 206.000000 MB of memory in use. ENERGY: 2137600 718.4513 2047.5220 1912.6895 114.4165 -206328.9379 17743.0340 0.0000 0.0000 34338.2519 -149454.5726 299.8845 -183792.8245 -149357.6692 297.8000 -43.8701 -12.1465 558002.8868 -0.1953 -0.0681 PRESSURE: 2137800 109.081 121.578 111.787 121.577 -150.214 17.3041 111.789 17.3048 13.2448 GPRESSURE: 2137800 119.22 106.781 181.633 129.569 -112.605 37.2804 49.4579 21.8928 62.7348 PRESSAVG: 2137800 -5.86584 48.7515 47.865 48.7514 52.5804 -9.35179 47.865 -9.35161 -58.9324 GPRESSAVG: 2137800 -5.79121 48.5386 49.88 49.5154 52.4679 -9.64556 49.4242 -11.3825 -58.4264 TIMING: 2137800 CPU: 6363.51, 0.00302961/step Wall: 6363.51, 0.00302961/step, 2.40871 hours remaining, 206.000000 MB of memory in use. ENERGY: 2137800 749.1656 2003.9226 1947.6825 121.0934 -206317.4893 17915.6182 0.0000 0.0000 34067.7577 -149512.2492 297.5222 -183580.0069 -149412.7187 298.0490 -9.2963 23.1168 558246.6230 -4.0726 -3.9166 PRESSURE: 2138000 73.0119 -148.338 -95.4134 -148.339 19.1528 78.6462 -95.4136 78.647 28.6248 GPRESSURE: 2138000 94.8899 -168.751 -13.1999 -133.028 57.2329 145.631 -127.878 123.802 51.0095 PRESSAVG: 2138000 -4.66204 42.9969 -26.7871 42.9969 -9.11726 8.83783 -26.7871 8.83782 34.0483 GPRESSAVG: 2138000 -5.56855 41.6226 -27.8643 43.3711 -9.26406 11.0863 -27.3213 7.08577 35.9474 TIMING: 2138000 CPU: 6364.11, 0.0030137/step Wall: 6364.11, 0.0030137/step, 2.39589 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: 2138000 731.4198 1994.9547 1942.5390 98.6166 -206146.3275 17840.2934 0.0000 0.0000 34135.6827 -149402.8212 298.1154 -183538.5039 -149306.2807 298.6985 40.2632 67.7107 557670.0442 6.7563 7.0383 PRESSURE: 2138200 71.2101 66.2398 53.429 66.2392 -45.9449 45.5977 53.4284 45.5976 147.259 GPRESSURE: 2138200 138.75 72.5358 -14.9586 16.5162 -36.0695 36.1846 14.4858 46.4727 164.277 PRESSAVG: 2138200 -21.9098 -76.5221 6.50132 -76.5222 23.5735 17.8015 6.50133 17.8016 -59.4898 GPRESSAVG: 2138200 -20.0702 -75.2318 5.58523 -77.2358 23.7166 15.045 7.59532 19.5743 -61.4486 TIMING: 2138200 CPU: 6364.71, 0.00300737/step Wall: 6364.71, 0.00300737/step, 2.3907 hours remaining, 206.000000 MB of memory in use. ENERGY: 2138200 701.9012 2076.5422 1921.4589 107.2953 -205995.3959 17657.5664 0.0000 0.0000 34087.3093 -149443.3227 297.6929 -183530.6320 -149349.6413 298.2486 57.5080 88.9859 557535.0986 -19.2753 -19.2674 PRESSURE: 2138400 -20.1846 -11.1745 21.3642 -11.1726 135.443 36.8746 21.3627 36.8735 -246.763 GPRESSURE: 2138400 -17.047 -66.478 -6.39895 -42.5533 108.888 -44.3693 -40.875 100.176 -132.625 PRESSAVG: 2138400 -14.9736 -2.78661 -5.12632 -2.78661 -42.0664 -0.554456 -5.12633 -0.554373 55.652 GPRESSAVG: 2138400 -16.3188 -5.21105 -4.8386 -1.16251 -42.223 0.19582 -6.09097 -1.49685 56.96 TIMING: 2138400 CPU: 6365.31, 0.00301094/step Wall: 6365.31, 0.00301094/step, 2.39337 hours remaining, 206.000000 MB of memory in use. ENERGY: 2138400 751.8476 2080.6981 1921.7959 103.7650 -206198.5429 17822.3259 0.0000 0.0000 34185.4848 -149332.6255 298.5503 -183518.1103 -149235.5080 298.4548 -43.8346 -13.5947 558146.6502 -0.4627 -0.5273 PRESSURE: 2138600 103.67 -149.092 109.109 -149.092 -252.226 -85.6453 109.109 -85.6422 -159.281 GPRESSURE: 2138600 56.9899 -97.5798 142.895 -166.897 -189.678 -96.6936 147.053 -122.174 -78.7537 PRESSAVG: 2138600 44.1203 -4.71328 -28.7687 -4.71343 9.00609 17.7134 -28.7688 17.7133 -44.7729 GPRESSAVG: 2138600 44.4873 -3.34279 -27.4249 -5.80165 8.68972 17.2517 -28.5868 17.1165 -44.6608 TIMING: 2138600 CPU: 6365.92, 0.00302083/step Wall: 6365.92, 0.00302083/step, 2.40106 hours remaining, 206.000000 MB of memory in use. ENERGY: 2138600 758.9424 2134.3825 1920.9641 95.9340 -205894.1560 17777.0241 0.0000 0.0000 34116.3482 -149090.5605 297.9466 -183206.9088 -148998.5772 298.8018 -102.6125 -70.4805 558727.1600 2.7845 2.8387 PRESSURE: 2138800 28.7108 181.833 -53.5029 181.831 64.9041 -62.0926 -53.5047 -62.0938 -297.088 GPRESSURE: 2138800 106.266 310.09 -168.29 162.172 37.5113 -143.299 -70.5859 -15.8518 -256.156 PRESSAVG: 2138800 -0.155095 31.984 -28.665 31.984 21.3356 -24.6195 -28.665 -24.6196 -27.5527 GPRESSAVG: 2138800 0.541859 31.4259 -30.4505 32.9814 21.9688 -25.0917 -30.8073 -22.3575 -28.862 TIMING: 2138800 CPU: 6366.52, 0.00301835/step Wall: 6366.52, 0.00301835/step, 2.39892 hours remaining, 206.000000 MB of memory in use. ENERGY: 2138800 707.6225 2103.0611 1932.4269 109.8929 -206409.1948 17872.6238 0.0000 0.0000 34267.3834 -149416.1842 299.2656 -183683.5676 -149321.3061 298.8212 -67.8242 -37.4595 557633.4756 -2.1240 -2.1171 PRESSURE: 2139000 -139.242 4.96914 -8.46309 4.97014 -7.38428 71.4059 -8.46485 71.4053 64.0661 GPRESSURE: 2139000 -85.9499 44.3026 10.3306 -38.8892 27.288 34.2873 -45.2362 33.1669 74.3561 PRESSAVG: 2139000 -31.9074 -67.1713 -92.8231 -67.1713 -0.712032 36.8915 -92.8231 36.8915 42.254 GPRESSAVG: 2139000 -31.4682 -67.0782 -93.2156 -67.506 -1.05427 36.8298 -90.0566 37.3558 41.8764 TIMING: 2139000 CPU: 6367.12, 0.00300419/step Wall: 6367.12, 0.00300419/step, 2.38749 hours remaining, 206.000000 MB of memory in use. ENERGY: 2139000 754.7431 2052.5786 1937.3893 110.0935 -206071.5798 17743.6936 0.0000 0.0000 34103.3058 -149369.7758 297.8327 -183473.0816 -149274.5820 298.7821 -27.5200 5.2314 556155.9102 3.2115 3.1180 PRESSURE: 2139200 97.3971 29.072 60.7319 29.0708 333.614 84.594 60.7297 84.5941 76.8775 GPRESSURE: 2139200 162.27 12.1875 17.6981 4.21258 323.91 15.6613 -12.1281 93.8773 123.074 PRESSAVG: 2139200 -40.8354 -26.6739 12.8035 -26.6738 12.4345 -39.3744 12.8036 -39.3742 31.769 GPRESSAVG: 2139200 -43.3089 -25.8907 16.2829 -27.4217 11.891 -37.775 11.0981 -40.4807 34.1858 TIMING: 2139200 CPU: 6367.72, 0.00300055/step Wall: 6367.72, 0.00300055/step, 2.38444 hours remaining, 206.000000 MB of memory in use. ENERGY: 2139200 713.3186 2168.3400 1910.1883 133.4593 -206307.3386 17708.1583 0.0000 0.0000 34342.1690 -149331.7051 299.9187 -183673.8741 -149236.9576 298.4424 169.2963 203.0845 554396.6276 1.1227 0.9226 PRESSURE: 2139400 99.656 59.2946 -76.2965 59.2944 -245.262 144.744 -76.2966 144.746 -110.638 GPRESSURE: 2139400 121.485 52.8455 -77.9035 109.658 -218.718 155.302 -80.9614 176.283 -62.5992 PRESSAVG: 2139400 -24.6697 -31.6726 -28.5154 -31.6725 24.5011 13.8465 -28.5153 13.8464 6.80917 GPRESSAVG: 2139400 -23.2075 -30.93 -30.0519 -31.4076 24.9208 12.3006 -29.1344 13.4583 4.62701 TIMING: 2139400 CPU: 6368.32, 0.00299035/step Wall: 6368.32, 0.00299035/step, 2.37617 hours remaining, 206.000000 MB of memory in use. ENERGY: 2139400 740.0820 2131.5033 1974.9247 108.7663 -206057.2573 17821.8891 0.0000 0.0000 34174.9423 -149105.1497 298.4583 -183280.0921 -149009.2424 299.1282 -85.4145 -53.2772 558360.0987 2.2135 2.1134 PRESSURE: 2139600 59.9663 46.4234 -5.6616 46.4244 163.578 -33.2059 -5.66072 -33.2053 90.9152 GPRESSURE: 2139600 136.009 96.127 -41.526 3.89486 187.896 -86.3474 91.8079 22.5967 86.7879 PRESSAVG: 2139600 -58.1894 14.0551 -17.0041 14.0552 7.39505 -19.5254 -17.0041 -19.5254 33.7098 GPRESSAVG: 2139600 -59.194 14.2165 -17.3512 13.7219 8.09369 -19.1552 -14.8399 -19.7449 33.1978 TIMING: 2139600 CPU: 6368.92, 0.00298865/step Wall: 6368.92, 0.00298865/step, 2.37465 hours remaining, 206.000000 MB of memory in use. ENERGY: 2139600 771.7755 2039.0529 1957.4849 109.3576 -206288.1968 17952.5637 0.0000 0.0000 34314.4475 -149143.5147 299.6766 -183457.9623 -149046.7844 299.3386 104.8199 136.8976 557073.9706 -5.6948 -5.9675 PRESSURE: 2139800 113.418 36.6027 -9.3936 36.6028 -125.941 3.31812 -9.39324 3.31711 142.664 GPRESSURE: 2139800 101.361 -12.1412 -49.3865 25.0667 -80.4325 -29.4051 -49.0325 -51.2624 201.027 PRESSAVG: 2139800 -1.26497 29.9107 -57.2804 29.9106 -59.9367 45.1544 -57.2804 45.1543 52.1101 GPRESSAVG: 2139800 -0.909133 30.1538 -55.9817 29.0741 -61.1072 43.427 -58.8111 45.4132 52.766 TIMING: 2139800 CPU: 6369.52, 0.00299298/step Wall: 6369.52, 0.00299298/step, 2.37792 hours remaining, 206.000000 MB of memory in use. ENERGY: 2139800 736.7986 2093.0877 1937.4534 100.5129 -206450.7167 17989.9680 0.0000 0.0000 34549.8996 -149042.9965 301.7329 -183592.8961 -148949.4450 300.0588 43.3805 73.9850 559092.2834 -3.0305 -3.0835 PRESSURE: 2140000 -253.576 -2.9613 -189.498 -2.96158 105.307 -43.8384 -189.498 -43.839 -183.085 GPRESSURE: 2140000 -269.523 -69.6497 -206 84.8346 65.9313 -6.64912 -117.861 -85.1429 -35.4396 PRESSAVG: 2140000 -21.9268 11.2809 -85.2334 11.2809 53.9932 18.3623 -85.2334 18.3624 -11.028 GPRESSAVG: 2140000 -21.1606 10.8679 -85.1699 11.6986 53.1388 19.3839 -85.0997 19.1274 -11.4606 TIMING: 2140000 CPU: 6370.11, 0.00298909/step Wall: 6370.11, 0.00298909/step, 2.37467 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: 2140000 732.8006 2018.3090 1946.3842 124.9794 -205704.4127 17635.3220 0.0000 0.0000 34154.0922 -149092.5254 298.2762 -183246.6176 -148993.8452 299.9823 -110.4515 -79.6770 558918.4217 7.0128 6.8392 PRESSURE: 2140200 -13.9205 -28.5545 193.735 -28.5535 75.5361 -143.461 193.736 -143.46 58.9483 GPRESSURE: 2140200 43.5429 -79.8408 306.884 50.8734 107.159 -148.608 143.517 -117.7 54.0813 PRESSAVG: 2140200 -39.3906 65.9583 -35.7726 65.9583 41.593 39.8281 -35.7726 39.828 21.1198 GPRESSAVG: 2140200 -40.0445 65.9289 -34.659 65.8755 42.7265 39.2934 -34.6104 38.44 20.6374 TIMING: 2140200 CPU: 6370.72, 0.00301023/step Wall: 6370.72, 0.00301023/step, 2.39129 hours remaining, 206.000000 MB of memory in use. ENERGY: 2140200 770.6076 2072.2944 1951.7801 97.1078 -206361.8731 18036.4596 0.0000 0.0000 34436.4466 -148997.1770 300.7421 -183433.6236 -148905.6222 299.5743 40.1880 68.2612 558572.4231 7.7741 7.7731 LDB: ============= START OF LOAD BALANCING ============== 6374.15 LDB: ============== END OF LOAD BALANCING =============== 6374.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6374.15 LDB: ============= START OF LOAD BALANCING ============== 6374.45 LDB: Largest compute 4821 load 0.026482 is 22.4% of average load 0.118108 LDB: Average compute 0.001713 is 1.5% of average load 0.118108 LDB: TIME 6374.45 LOAD: AVG 0.118108 MAX 0.209973 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 6374.45 LOAD: AVG 0.118108 MAX 0.209973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 6374.45 LOAD: AVG 0.118108 MAX 0.209973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6374.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6374.46 PRESSURE: 2140400 -75.3355 46.043 -7.90656 46.0428 217.121 7.12464 -7.90643 7.12452 -49.9272 GPRESSURE: 2140400 -27.2473 79.9977 -199.149 44.5789 209.379 -54.7513 90.9231 32.6533 -6.42553 PRESSAVG: 2140400 -12.37 49.803 35.9647 49.803 13.3444 17.7001 35.9647 17.7001 -8.09357 GPRESSAVG: 2140400 -12.8336 50.6637 35.8307 50.8005 13.5161 19.6458 36.205 16.7446 -7.6496 TIMING: 2140400 CPU: 6371.33, 0.00307982/step Wall: 6371.33, 0.00307982/step, 2.44641 hours remaining, 205.941406 MB of memory in use. ENERGY: 2140400 727.6855 2088.9129 1988.2143 110.1087 -205910.6341 17762.4562 0.0000 0.0000 34236.4354 -148996.8211 298.9953 -183233.2565 -148898.5472 300.5900 30.6193 58.5688 558644.1723 -2.3730 -2.3224 PRESSURE: 2140600 -63.0897 82.5468 58.0084 82.5465 -42.1108 -131.68 58.0084 -131.68 -158.122 GPRESSURE: 2140600 -59.0747 -5.79648 71.4095 92.1134 -5.071 -190.611 77.1209 -107.336 -107.811 PRESSAVG: 2140600 26.4569 0.375302 4.19859 0.375208 -19.0364 16.0717 4.19846 16.0717 4.6673 GPRESSAVG: 2140600 25.9163 -0.325704 3.87049 -0.573257 -17.6188 15.3549 2.80141 15.7623 3.28965 TIMING: 2140600 CPU: 6371.94, 0.00302004/step Wall: 6371.94, 0.00302004/step, 2.39875 hours remaining, 205.941406 MB of memory in use. ENERGY: 2140600 740.3813 2057.0552 1945.3838 133.8102 -205961.2654 17703.0861 0.0000 0.0000 34448.6954 -148932.8536 300.8490 -183381.5489 -148836.5441 299.3134 -87.7742 -57.3191 558272.7193 4.0292 3.8624 PRESSURE: 2140800 -54.5635 71.5622 52.9169 71.5608 -94.7192 -99.9026 52.9174 -99.9046 -69.7812 GPRESSURE: 2140800 -11.3716 10.5081 34.4218 161.688 -59.5608 -55.4239 47.8063 -154.548 -50.9197 PRESSAVG: 2140800 -0.915271 60.618 49.676 60.6179 10.1769 -27.536 49.6762 -27.5361 38.4861 GPRESSAVG: 2140800 0.0222419 60.2034 50.4661 62.1121 8.97736 -28.8865 49.2824 -25.1563 38.6543 TIMING: 2140800 CPU: 6372.53, 0.00299637/step Wall: 6372.53, 0.00299637/step, 2.37979 hours remaining, 205.941406 MB of memory in use. ENERGY: 2140800 722.8835 2119.5713 1967.8585 112.1269 -205762.9777 17533.9032 0.0000 0.0000 34186.7578 -149119.8766 298.5615 -183306.6343 -149026.5972 300.1835 -73.0213 -40.6174 557947.1514 15.9159 15.8846 PRESSURE: 2141000 95.0006 62.397 38.9869 62.3956 -145.601 83.6851 38.9865 83.6858 82.3753 GPRESSURE: 2141000 123.042 -21.9463 64.9352 77.3345 -145.152 136.38 -8.61777 35.0344 134.782 PRESSAVG: 2141000 8.80391 10.8955 19.1891 10.8955 -30.035 28.9368 19.1892 28.9368 44.9892 GPRESSAVG: 2141000 8.03711 10.8768 18.9315 8.5098 -29.2452 30.0073 21.3777 28.2842 45.3051 TIMING: 2141000 CPU: 6373.13, 0.00299084/step Wall: 6373.13, 0.00299084/step, 2.37523 hours remaining, 205.941406 MB of memory in use. ENERGY: 2141000 746.5024 2038.7509 1956.5900 113.4435 -206222.6279 17891.1430 0.0000 0.0000 34294.9000 -149181.2982 299.5059 -183476.1982 -149087.7030 299.5368 10.5918 37.5573 558928.9294 7.9194 8.0324 PRESSURE: 2141200 -395.833 2.0964 86.662 2.09513 -86.8098 43.7019 86.663 43.7018 -183.931 GPRESSURE: 2141200 -383.846 30.8573 7.77951 -26.7342 -51.474 -9.54523 128.675 118.676 -132.451 PRESSAVG: 2141200 -36.3515 10.5608 35.754 10.5608 34.7157 9.45973 35.754 9.45967 -21.4717 GPRESSAVG: 2141200 -35.4485 11.6679 35.2691 10.8445 34.3037 10.7875 34.9337 7.71338 -22.1239 TIMING: 2141200 CPU: 6373.73, 0.00296909/step Wall: 6373.73, 0.00296908/step, 2.35778 hours remaining, 205.941406 MB of memory in use. ENERGY: 2141200 772.7781 2091.0209 1957.1628 113.2511 -205723.3075 17540.5999 0.0000 0.0000 34022.6683 -149225.8264 297.1284 -183248.4947 -149134.7175 299.1192 -222.1911 -189.2570 558802.2858 -7.7025 -7.7562 PRESSURE: 2141400 -88.138 -37.3374 -82.2182 -37.3364 8.73657 67.7951 -82.2194 67.7941 -154.604 GPRESSURE: 2141400 -104.045 4.17707 -118.843 -98.1561 59.7864 13.2834 -26.3902 83.5244 -89.9153 PRESSAVG: 2141400 -3.78515 -41.8783 35.4587 -41.8782 15.9367 37.5093 35.4587 37.5093 18.5065 GPRESSAVG: 2141400 -4.57807 -44.4656 35.5362 -38.1678 15.7418 33.8604 34.8002 39.5058 19.044 TIMING: 2141400 CPU: 6374.32, 0.0029594/step Wall: 6374.32, 0.0029594/step, 2.34993 hours remaining, 205.941406 MB of memory in use. ENERGY: 2141400 764.2380 2094.2712 1939.9839 104.2002 -206387.1338 17980.0168 0.0000 0.0000 34241.1639 -149263.2597 299.0366 -183504.4237 -149170.1364 298.7576 -78.0019 -44.7245 557740.5251 10.2193 10.0693 PRESSURE: 2141600 97.2203 22.1494 -53.9736 22.1486 -26.3339 37.2284 -53.9735 37.2285 -383.428 GPRESSURE: 2141600 102.224 36.9441 -136.423 7.64212 4.41628 35.493 43.0853 50.2524 -325.878 PRESSAVG: 2141600 32.144 56.5279 -42.7677 56.5279 20.9953 24.6566 -42.7677 24.6568 22.4605 GPRESSAVG: 2141600 33.115 58.0841 -47.1955 53.0339 20.5263 28.5003 -39.4647 23.5758 21.9643 TIMING: 2141600 CPU: 6374.91, 0.00297047/step Wall: 6374.91, 0.00297047/step, 2.35855 hours remaining, 205.941406 MB of memory in use. ENERGY: 2141600 702.1364 2092.5702 1937.1799 116.8961 -205875.3139 17464.6459 0.0000 0.0000 34297.4332 -149264.4521 299.5280 -183561.8853 -149166.8031 299.4615 -104.1804 -73.0794 557571.7651 25.1999 25.2019 PRESSURE: 2141800 153.33 -74.6317 89.3074 -74.6316 -68.9527 183.319 89.3067 183.319 -23.2509 GPRESSURE: 2141800 235.569 -9.92361 73.2685 47.1921 -64.6361 158.081 59.8698 140.953 -4.17653 PRESSAVG: 2141800 -3.53802 3.82248 -1.42409 3.82255 -1.26852 27.4308 -1.42404 27.4309 -14.6088 GPRESSAVG: 2141800 -3.41574 4.17378 1.92512 5.86673 -0.745208 25.8184 -2.71199 28.2111 -14.765 TIMING: 2141800 CPU: 6375.5, 0.00294319/step Wall: 6375.5, 0.00294319/step, 2.33673 hours remaining, 205.941406 MB of memory in use. ENERGY: 2141800 730.8424 2076.1741 1961.9672 120.9256 -206418.0011 17972.1791 0.0000 0.0000 34278.1815 -149277.7311 299.3599 -183555.9126 -149185.9042 299.5625 20.3753 55.5853 557040.9616 -6.4718 -6.3087 PRESSURE: 2142000 90.3832 -70.0934 142.498 -70.0928 -460.471 193.719 142.499 193.72 84.9152 GPRESSURE: 2142000 99.971 -84.5426 165.044 -135.779 -350.158 214.357 12.154 177.524 63.7261 PRESSAVG: 2142000 57.4781 -68.5449 52.5799 -68.545 -71.3425 30.6438 52.5798 30.644 -2.76496 GPRESSAVG: 2142000 57.0644 -66.6931 52.8427 -71.3662 -71.2028 32.0479 51.3844 29.1711 -2.74901 TIMING: 2142000 CPU: 6376.09, 0.00296674/step Wall: 6376.09, 0.00296674/step, 2.35526 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: 2142000 751.7974 2096.8356 1969.6598 112.7972 -205990.6230 17630.6663 0.0000 0.0000 34190.0859 -149238.7808 298.5905 -183428.8667 -149148.9712 299.4382 -95.0574 -62.1536 557237.2283 -5.5431 -5.6291 PRESSURE: 2142200 -106.156 60.7931 60.7656 60.7928 135.927 25.3243 60.7655 25.3231 -177.568 GPRESSURE: 2142200 -44.2041 178.011 87.9807 -3.07191 104.241 -38.1188 51.9271 102.391 -115.323 PRESSAVG: 2142200 -19.6686 -1.9758 42.1661 -1.97577 25.0629 59.2969 42.1659 59.2969 -12.4126 GPRESSAVG: 2142200 -19.2073 -5.04107 41.9529 -0.489088 25.1707 60.1434 42.6525 59.3981 -12.6921 TIMING: 2142200 CPU: 6376.69, 0.00300132/step Wall: 6376.69, 0.00300132/step, 2.38255 hours remaining, 205.941406 MB of memory in use. ENERGY: 2142200 779.6185 2044.7618 1967.3201 110.6890 -206467.0429 17898.9207 0.0000 0.0000 34234.1641 -149431.5687 298.9755 -183665.7328 -149332.3311 299.1425 -49.2656 -18.4286 557056.9276 -2.3394 -2.2429 PRESSURE: 2142400 118.201 52.5358 50.1129 52.5352 119.276 -123.223 50.113 -123.224 -201.835 GPRESSURE: 2142400 121.496 67.1846 -11.2657 131.131 137.063 -97.7183 49.1723 -197.594 -148.919 PRESSAVG: 2142400 51.2507 -9.14705 -17.6793 -9.14709 11.8776 47.5921 -17.6793 47.5921 -60.556 GPRESSAVG: 2142400 50.6741 -7.90803 -17.1807 -7.72147 12.5484 46.1711 -17.647 49.1341 -60.9296 TIMING: 2142400 CPU: 6377.29, 0.00297126/step Wall: 6377.29, 0.00297126/step, 2.35852 hours remaining, 205.941406 MB of memory in use. ENERGY: 2142400 749.8443 2056.5426 1945.4562 103.3582 -206670.4290 17856.3366 0.0000 0.0000 34406.0208 -149552.8705 300.4763 -183958.8912 -149460.2377 299.4847 11.8809 36.5469 555673.9233 0.8574 0.7643 PRESSURE: 2142600 15.1884 -43.2584 41.1569 -43.2594 248.351 16.3108 41.1565 16.3113 103.309 GPRESSURE: 2142600 33.6473 20.5656 -21.3955 -121.314 269.212 62.1752 95.6627 -37.1373 162.012 PRESSAVG: 2142600 -15.3495 9.48124 -11.0859 9.48117 46.1925 -37.3371 -11.0858 -37.3371 7.508 GPRESSAVG: 2142600 -14.6532 8.47326 -12.8164 9.66245 45.9807 -39.3662 -9.46224 -37.4241 7.43989 TIMING: 2142600 CPU: 6377.88, 0.00295572/step Wall: 6377.88, 0.00295572/step, 2.34602 hours remaining, 205.941406 MB of memory in use. ENERGY: 2142600 746.1688 2104.1579 1967.8393 109.2019 -206651.4222 18035.9989 0.0000 0.0000 34054.8497 -149633.2057 297.4095 -183688.0554 -149534.0319 298.0820 122.2828 154.9571 556426.8432 12.7837 12.9225 PRESSURE: 2142800 -286.468 53.0959 -65.9092 53.095 -74.5592 69.8243 -65.9101 69.8234 -33.6091 GPRESSURE: 2142800 -293.523 51.7069 -170.092 11.8064 20.7076 48.6031 -61.785 64.5738 -20.8239 PRESSAVG: 2142800 -1.4246 11.4186 9.018 11.4187 59.5324 -3.34641 9.01805 -3.34657 -18.7379 GPRESSAVG: 2142800 -2.4635 13.3098 10.0498 9.70833 59.7435 -2.94199 7.79003 -3.85298 -17.2835 TIMING: 2142800 CPU: 6378.47, 0.00296981/step Wall: 6378.47, 0.00296981/step, 2.35704 hours remaining, 205.941406 MB of memory in use. ENERGY: 2142800 740.4724 2058.9406 1919.5591 112.9952 -206000.2699 17618.6446 0.0000 0.0000 33924.2402 -149625.4179 296.2688 -183549.6581 -149529.1237 297.2483 -131.5453 -97.8799 558007.6865 13.1233 13.3321 PRESSURE: 2143000 -82.6321 -40.0026 -118.884 -40.0021 -107.137 -70.791 -118.884 -70.791 -141.867 GPRESSURE: 2143000 -30.8048 -13.8018 -84.5861 -130.553 -85.7235 -70.5155 -165.841 -112.01 -105.239 PRESSAVG: 2143000 -19.1574 24.5998 -33.4818 24.5998 -7.81849 -27.1118 -33.4818 -27.1118 26.8772 GPRESSAVG: 2143000 -19.0777 24.0776 -34.5747 23.564 -8.49299 -25.778 -33.1033 -26.9417 27.7497 TIMING: 2143000 CPU: 6379.07, 0.00297529/step Wall: 6379.07, 0.00297529/step, 2.36122 hours remaining, 205.941406 MB of memory in use. ENERGY: 2143000 750.0602 2060.8349 1966.1085 113.3027 -206322.4313 17657.4111 0.0000 0.0000 34007.1589 -149767.5548 296.9930 -183774.7138 -149678.2864 297.1333 -110.5453 -73.9223 559894.0281 -0.0329 0.0596 PRESSURE: 2143200 43.2419 33.0774 54.7333 33.0775 61.7633 19.2847 54.7326 19.2847 316.667 GPRESSURE: 2143200 94.1389 44.7759 88.9313 25.342 87.7881 11.1967 -59.5693 2.94192 341.233 PRESSAVG: 2143200 -29.983 -0.703243 6.6116 -0.703336 -32.8551 -4.03853 6.61175 -4.03857 76.5749 GPRESSAVG: 2143200 -29.0537 -0.704253 7.2584 1.91448 -32.5498 -6.19996 7.1249 -2.45605 74.8448 TIMING: 2143200 CPU: 6379.67, 0.00298078/step Wall: 6379.67, 0.00298078/step, 2.36541 hours remaining, 205.941406 MB of memory in use. ENERGY: 2143200 790.0407 2010.1842 1961.2369 106.8261 -207000.9629 18318.3146 0.0000 0.0000 34228.7938 -149585.5666 298.9286 -183814.3604 -149492.3302 297.6432 140.5574 174.3866 557868.9008 4.5789 4.4138 PRESSURE: 2143400 -138.061 -75.1554 -19.6121 -75.1544 -319.787 -69.3995 -19.6125 -69.399 -8.023 GPRESSURE: 2143400 -82.5986 -14.6596 -32.2969 -124.024 -267.119 -144.256 -1.49002 -8.77772 -12.7492 PRESSAVG: 2143400 24.8453 40.1846 2.7547 40.1847 -0.339285 -34.119 2.75469 -34.119 10.7062 GPRESSAVG: 2143400 23.6027 40.4393 2.58132 37.4544 0.188989 -31.3867 1.83262 -36.5209 11.4311 TIMING: 2143400 CPU: 6380.26, 0.00296636/step Wall: 6380.26, 0.00296636/step, 2.35381 hours remaining, 205.941406 MB of memory in use. ENERGY: 2143400 755.7233 2062.4666 1934.0441 112.6968 -206455.0591 17736.5184 0.0000 0.0000 34455.9298 -149397.6802 300.9122 -183853.6100 -149296.7573 298.7968 -155.2904 -120.8223 557717.5592 11.7374 11.7409 PRESSURE: 2143600 149.918 -174.715 85.5752 -174.716 -436.145 -92.4897 85.5765 -92.4903 -183.263 GPRESSURE: 2143600 176.787 -149.264 117.855 -202.554 -381.426 -148.416 33.4012 -18.6031 -164.262 PRESSAVG: 2143600 -14.9045 -39.5516 -4.68452 -39.5516 -11.1828 -13.7674 -4.68453 -13.7672 -8.5062 GPRESSAVG: 2143600 -14.7051 -37.3027 -2.99502 -41.777 -11.29 -14.2754 -6.4713 -12.9838 -9.43637 TIMING: 2143600 CPU: 6380.85, 0.00295777/step Wall: 6380.85, 0.00295777/step, 2.34683 hours remaining, 205.941406 MB of memory in use. ENERGY: 2143600 761.1333 2054.8082 1959.2958 114.8993 -206071.9130 17714.3454 0.0000 0.0000 34137.7325 -149329.6986 298.1333 -183467.4310 -149231.1015 299.5086 -156.4969 -122.9667 558552.2421 -11.5312 -11.8105 PRESSURE: 2143800 214.456 159.333 -4.33405 159.333 71.4421 -4.78529 -4.33381 -4.78565 12.258 GPRESSURE: 2143800 260.808 153.216 10.5923 124.658 72.9381 -8.76012 38.09 -30.1374 60.2755 PRESSAVG: 2143800 35.2188 -45.6889 -34.348 -45.6889 -1.29544 -20.9154 -34.348 -20.9154 5.78982 GPRESSAVG: 2143800 33.9906 -47.8196 -35.9227 -42.7255 -1.5886 -20.7606 -31.9205 -22.3387 7.3787 TIMING: 2143800 CPU: 6381.45, 0.00298615/step Wall: 6381.45, 0.00298615/step, 2.36917 hours remaining, 205.941406 MB of memory in use. ENERGY: 2143800 735.5969 2070.3122 1967.0678 104.9571 -206244.2335 17922.0311 0.0000 0.0000 34194.9594 -149249.3090 298.6331 -183444.2685 -149153.1552 298.7577 99.3855 131.3404 557598.5643 13.2377 13.2602 PRESSURE: 2144000 135.963 77.9467 -72.2508 77.945 204.156 -96.198 -72.251 -96.1985 73.2062 GPRESSURE: 2144000 141.591 7.33742 -73.557 82.2019 184.73 -96.4207 -38.605 -132.631 185.866 PRESSAVG: 2144000 39.2015 44.9871 -36.8444 44.9871 -40.1223 -38.6198 -36.8445 -38.6198 -3.61285 GPRESSAVG: 2144000 40.6825 46.252 -35.3283 46.4803 -39.9371 -38.9186 -37.2499 -37.5573 -4.38873 TIMING: 2144000 CPU: 6382.04, 0.00298759/step Wall: 6382.04, 0.00298759/step, 2.37016 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: 2144000 722.1109 2068.8830 1952.4608 114.1824 -206369.7786 17923.1297 0.0000 0.0000 34426.3890 -149162.6228 300.6542 -183589.0117 -149066.0334 299.8907 137.7751 170.7290 556888.8644 -1.5112 -1.2144 PRESSURE: 2144200 -142.496 30.6987 -6.41266 30.6991 67.714 273.918 -6.41342 273.918 -132.99 GPRESSURE: 2144200 -97.4832 35.3861 -94.1574 21.1372 84.9456 235.159 9.87416 328.682 -109.54 PRESSAVG: 2144200 119.344 6.44954 17.5089 6.44957 -28.4409 36.0962 17.5089 36.096 -46.6512 GPRESSAVG: 2144200 119.637 6.5778 15.2695 5.96632 -28.5798 35.1417 18.1373 36.0752 -46.3766 TIMING: 2144200 CPU: 6382.64, 0.00297377/step Wall: 6382.64, 0.00297377/step, 2.35903 hours remaining, 205.941406 MB of memory in use. ENERGY: 2144200 716.6138 2090.4902 1939.5087 110.1005 -206092.8178 17756.9984 0.0000 0.0000 34401.4705 -149077.6358 300.4366 -183479.1062 -148979.1690 299.9927 -69.2574 -40.6927 557568.1890 14.7505 14.8935 LDB: ============= START OF LOAD BALANCING ============== 6386.07 LDB: ============== END OF LOAD BALANCING =============== 6386.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6386.07 LDB: ============= START OF LOAD BALANCING ============== 6386.36 LDB: Largest compute 4821 load 0.024833 is 21.0% of average load 0.118057 LDB: Average compute 0.001719 is 1.5% of average load 0.118057 LDB: TIME 6386.37 LOAD: AVG 0.118057 MAX 0.199666 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 6386.37 LOAD: AVG 0.118057 MAX 0.199666 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: TIME 6386.37 LOAD: AVG 0.118057 MAX 0.199666 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 6386.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6386.37 PRESSURE: 2144400 -166.521 60.858 -11.4264 60.8569 -36.4539 -86.491 -11.4264 -86.4915 -184.117 GPRESSURE: 2144400 -110.975 57.1002 -50.7125 55.6048 6.99348 -121.16 9.23884 -70.5421 -177.138 PRESSAVG: 2144400 14.6681 -23.2429 1.2655 -23.2429 33.2005 9.70853 1.26543 9.7085 -47.6786 GPRESSAVG: 2144400 14.1653 -24.2145 2.06786 -23.2617 33.1047 11.7431 -0.983035 8.09668 -47.1999 TIMING: 2144400 CPU: 6383.24, 0.00301181/step Wall: 6383.24, 0.00301181/step, 2.38903 hours remaining, 205.429688 MB of memory in use. ENERGY: 2144400 742.4482 2068.9530 1941.0205 98.7892 -206221.6125 17697.7426 0.0000 0.0000 34367.8714 -149304.7875 300.1432 -183672.6589 -149211.5226 299.7849 -129.0306 -93.7067 557405.8624 0.0633 0.0234 PRESSURE: 2144600 -275.32 127.367 -110.412 127.367 -142.89 -68.9909 -110.412 -68.9916 -36.0783 GPRESSURE: 2144600 -257.814 128.345 -152.371 58.1527 -126.872 -41.3566 -99.7896 -64.8405 39.4602 PRESSAVG: 2144600 -81.3902 52.1874 -81.2295 52.1874 18.0325 0.0513067 -81.2294 0.0512221 55.7349 GPRESSAVG: 2144600 -80.4116 53.0646 -79.8822 51.8638 17.8021 0.681117 -80.2764 -0.0649312 55.395 TIMING: 2144600 CPU: 6383.83, 0.00295614/step Wall: 6383.83, 0.00295614/step, 2.34471 hours remaining, 205.429688 MB of memory in use. ENERGY: 2144600 764.4175 2080.7824 1910.0075 122.4009 -206043.6369 17690.5466 0.0000 0.0000 34117.9127 -149357.5692 297.9602 -183475.4820 -149263.1799 299.5064 -151.4296 -115.0751 558421.9733 -2.5409 -2.4049 PRESSURE: 2144800 47.9762 -131.472 -109.443 -131.472 235.002 -217.27 -109.444 -217.27 275.76 GPRESSURE: 2144800 125.702 -100.364 -41.1209 -187.664 220.133 -146.308 -144.973 -186.512 304.576 PRESSAVG: 2144800 -33.7384 34.8077 -31.0241 34.8078 -27.9024 54.172 -31.0241 54.172 52.257 GPRESSAVG: 2144800 -34.6045 34.8717 -32.1758 33.872 -26.8186 52.5403 -30.4836 55.103 52.284 TIMING: 2144800 CPU: 6384.43, 0.00297178/step Wall: 6384.43, 0.00297178/step, 2.35695 hours remaining, 205.429688 MB of memory in use. ENERGY: 2144800 764.5679 2055.7248 1954.2460 108.8630 -206803.5197 18239.0133 0.0000 0.0000 34401.0860 -149280.0188 300.4332 -183681.1048 -149185.4296 298.8584 186.2460 216.8036 557367.3284 -3.1279 -3.0464 PRESSURE: 2145000 -50.9396 65.4788 65.5733 65.4787 188.874 61.8824 65.5738 61.8816 66.1528 GPRESSURE: 2145000 1.99894 12.118 213.991 76.6698 209.925 110.124 5.38066 62.7159 83.4751 PRESSAVG: 2145000 -11.2212 11.0967 27.2989 11.0966 44.187 -15.9625 27.299 -15.9624 -22.8476 GPRESSAVG: 2145000 -11.3524 9.33562 26.489 10.7734 44.0001 -14.6304 28.6034 -16.0075 -22.6059 TIMING: 2145000 CPU: 6385.03, 0.00299908/step Wall: 6385.03, 0.00299908/step, 2.37844 hours remaining, 205.429688 MB of memory in use. ENERGY: 2145000 746.7617 2116.6233 1941.4150 101.9245 -206279.7644 17895.9322 0.0000 0.0000 34337.3304 -149139.7773 299.8764 -183477.1077 -149043.3448 299.4317 68.0291 98.4663 556895.3926 3.3727 3.3473 PRESSURE: 2145200 20.1009 27.5752 122.907 27.5746 69.0819 -154.602 122.906 -154.602 -84.4321 GPRESSURE: 2145200 27.1233 104.374 90.7634 56.0822 90.9658 -239.793 165.178 -98.7216 -27.2651 PRESSAVG: 2145200 31.5831 -19.5634 -15.9592 -19.5633 11.7728 -23.2222 -15.9592 -23.2221 -21.9781 GPRESSAVG: 2145200 32.0568 -18.0383 -13.7045 -19.6629 10.8001 -24.4221 -17.3441 -23.8506 -21.2719 TIMING: 2145200 CPU: 6385.63, 0.00299028/step Wall: 6385.63, 0.00299028/step, 2.37129 hours remaining, 205.429688 MB of memory in use. ENERGY: 2145200 726.4153 2124.2458 1965.4372 112.0509 -206400.9012 17830.9381 0.0000 0.0000 34473.5580 -149168.2558 301.0662 -183641.8138 -149074.6754 298.9444 1.5836 30.2747 557498.8722 7.1259 7.1950 PRESSURE: 2145400 162.532 -3.82688 5.70798 -3.82728 252.028 -87.2907 5.70761 -87.2886 92.0336 GPRESSURE: 2145400 194.257 86.9771 50.6599 41.7313 313.037 -25.9977 -44.1225 -159.725 90.3055 PRESSAVG: 2145400 -12.8936 20.6671 15.9423 20.667 -4.91046 -26.0606 15.9423 -26.0604 -19.6682 GPRESSAVG: 2145400 -13.0223 22.1556 13.3016 20.0831 -4.13082 -26.7637 15.8705 -23.4598 -20.9614 TIMING: 2145400 CPU: 6386.22, 0.00297599/step Wall: 6386.22, 0.00297599/step, 2.3598 hours remaining, 205.429688 MB of memory in use. ENERGY: 2145400 715.9634 2109.9409 1947.2022 106.8340 -206419.6038 18087.5527 0.0000 0.0000 34124.5372 -149327.5734 298.0181 -183452.1106 -149227.2150 298.6075 168.8647 199.1997 557444.8983 -12.4907 -12.7048 PRESSURE: 2145600 -26.8101 15.8571 8.72655 15.8558 -228.329 23.8978 8.72669 23.8987 -128.681 GPRESSURE: 2145600 -25.093 24.5511 -0.587252 44.0446 -191.858 43.9771 6.17616 61.4305 -65.3219 PRESSAVG: 2145600 8.68614 36.9837 -63.9449 36.9836 -23.1922 -64.4585 -63.9448 -64.4585 2.78231 GPRESSAVG: 2145600 10.0042 36.9832 -63.7502 37.6122 -25.1883 -64.0334 -63.7496 -66.5471 3.22741 TIMING: 2145600 CPU: 6386.82, 0.00298509/step Wall: 6386.82, 0.00298509/step, 2.36684 hours remaining, 205.429688 MB of memory in use. ENERGY: 2145600 782.6148 2127.7738 1951.2237 116.4826 -206187.5179 17625.7754 0.0000 0.0000 34332.1949 -149251.4527 299.8316 -183583.6476 -149160.1091 299.0971 -127.9401 -94.0908 556183.4177 -3.9079 -3.9856 PRESSURE: 2145800 -232.48 -146.655 82.2737 -146.656 -194.843 -105.658 82.2746 -105.657 -346.05 GPRESSURE: 2145800 -180.544 -41.4903 52.9015 -174.169 -211.316 -134.427 67.9508 -111.138 -283.9 PRESSAVG: 2145800 -65.9773 -11.1425 -22.2778 -11.1425 43.1471 -8.21381 -22.2778 -8.21388 5.78033 GPRESSAVG: 2145800 -66.9904 -11.1344 -21.4239 -12.1492 44.0753 -7.10293 -23.2005 -7.74428 5.77375 TIMING: 2145800 CPU: 6387.41, 0.00298477/step Wall: 6387.41, 0.00298477/step, 2.36643 hours remaining, 205.429688 MB of memory in use. ENERGY: 2145800 756.2505 2098.4416 1963.6274 122.8963 -206025.6342 17403.3005 0.0000 0.0000 34339.1488 -149341.9693 299.8923 -183681.1181 -149239.7099 299.1545 -257.7911 -225.2535 557249.1252 -5.6833 -5.7138 PRESSURE: 2146000 -333.826 14.6793 -23.9913 14.6795 61.4665 12.5169 -23.9924 12.5159 133.704 GPRESSURE: 2146000 -239.813 -11.9021 25.3469 88.1478 52.7272 19.6803 -81.3911 6.16857 150.826 PRESSAVG: 2146000 -54.7192 18.6466 13.1223 18.6467 5.39557 17.308 13.1223 17.308 38.3716 GPRESSAVG: 2146000 -55.2923 16.1725 11.923 19.2607 5.14654 17.1841 13.5661 16.2422 39.6795 TIMING: 2146000 CPU: 6388.01, 0.00298556/step Wall: 6388.01, 0.00298556/step, 2.36689 hours remaining, 205.429688 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: 2146000 773.1635 2116.1401 1949.0922 114.2309 -206354.8372 17833.2359 0.0000 0.0000 34069.0635 -149499.9112 297.5336 -183568.9747 -149397.8764 298.3933 -46.2183 -12.0864 557245.3188 -3.6507 -3.4887 PRESSURE: 2146200 60.5758 90.9154 -134.795 90.9152 -140.291 121.855 -134.795 121.855 -139.547 GPRESSURE: 2146200 79.9991 34.029 -117.842 33.302 -117.127 176.988 -120.408 134.816 -73.0047 PRESSAVG: 2146200 -7.43064 59.5802 25.8256 59.5802 13.3743 48.6916 25.8256 48.6917 8.03929 GPRESSAVG: 2146200 -7.70872 59.2457 28.4037 60.2736 14.3251 50.0026 24.91 47.8275 7.19729 TIMING: 2146200 CPU: 6388.6, 0.00295552/step Wall: 6388.6, 0.00295552/step, 2.34291 hours remaining, 205.429688 MB of memory in use. ENERGY: 2146200 758.9092 2007.6623 1957.2836 130.7787 -206533.7706 18014.8933 0.0000 0.0000 34320.6831 -149343.5605 299.7311 -183664.2436 -149245.8716 299.0245 -73.0875 -36.7109 558618.3318 4.6610 4.6045 PRESSURE: 2146400 133.816 74.4441 150.433 74.4432 -46.4442 58.4504 150.432 58.4511 -51.692 GPRESSURE: 2146400 129.121 129.149 128.966 43.8678 71.4602 63.1739 135.271 -40.3035 -70.1453 PRESSAVG: 2146400 36.6247 37.3241 -32.8441 37.3241 -46.0645 30.0267 -32.844 30.0268 8.46273 GPRESSAVG: 2146400 36.3682 40.3492 -35.2421 36.7408 -45.3842 27.6121 -31.8255 30.9516 7.36417 TIMING: 2146400 CPU: 6389.19, 0.0029555/step Wall: 6389.19, 0.0029555/step, 2.34273 hours remaining, 205.429688 MB of memory in use. ENERGY: 2146400 757.5792 2105.6096 1951.1634 108.7458 -206575.2398 18013.1857 0.0000 0.0000 34257.5462 -149381.4099 299.1797 -183638.9560 -149288.5301 298.5988 11.8931 43.4787 558506.8633 -0.3257 -0.5506 PRESSURE: 2146600 -193.958 -45.3511 -35.5484 -45.3519 -236.527 100.193 -35.5473 100.194 41.6774 GPRESSURE: 2146600 -167.901 32.8898 28.4512 -57.4912 -160.591 161.926 -17.2204 177.997 45.4782 PRESSAVG: 2146600 -42.9615 -26.9373 -57.1922 -26.9374 22.1079 8.13938 -57.1923 8.13946 33.8508 GPRESSAVG: 2146600 -42.3073 -28.5189 -56.036 -26.507 22.1172 8.12505 -56.3308 9.29304 33.8178 TIMING: 2146600 CPU: 6389.79, 0.0029758/step Wall: 6389.79, 0.0029758/step, 2.35865 hours remaining, 205.429688 MB of memory in use. ENERGY: 2146600 775.8061 2060.6466 1931.7316 115.4396 -206216.0816 17719.4788 0.0000 0.0000 34297.8726 -149315.1063 299.5319 -183612.9789 -149216.3537 299.0840 -129.6028 -94.3380 558236.6623 4.3324 4.5426 PRESSURE: 2146800 -243.394 -122.884 -23.943 -122.884 -61.9071 -35.6989 -23.9423 -35.6988 -245.596 GPRESSURE: 2146800 -168.056 -79.6241 -13.8512 -92.971 -54.7591 -18.1492 23.7435 -35.464 -233.124 PRESSAVG: 2146800 -57.4439 -40.7007 -0.173231 -40.7007 17.1747 -4.23487 -0.173262 -4.23482 30.6942 GPRESSAVG: 2146800 -57.0497 -39.9077 0.857572 -41.9186 15.6909 -3.84678 -1.42429 -5.00517 31.352 TIMING: 2146800 CPU: 6390.38, 0.00297078/step Wall: 6390.38, 0.00297078/step, 2.35451 hours remaining, 205.429688 MB of memory in use. ENERGY: 2146800 747.8106 2124.3547 1952.8805 113.6917 -206138.8990 17675.2410 0.0000 0.0000 34142.1834 -149382.7371 298.1722 -183524.9205 -149288.1887 298.7871 -183.6323 -151.9797 559835.3574 -3.1917 -3.3356 PRESSURE: 2147000 -168.09 75.9939 48.0453 75.9939 93.0055 -108.622 48.0448 -108.622 89.6916 GPRESSURE: 2147000 -124.393 46.6665 -76.62 81.2693 106.062 -146.378 68.6665 -64.6001 133.877 PRESSAVG: 2147000 -43.3291 -10.3332 -32.9047 -10.3331 21.7609 11.9282 -32.9047 11.9281 35.4305 GPRESSAVG: 2147000 -43.918 -12.0013 -34.062 -8.8192 21.9211 12.1689 -33.1175 14.1972 35.5708 TIMING: 2147000 CPU: 6390.98, 0.00297619/step Wall: 6390.98, 0.00297619/step, 2.35863 hours remaining, 205.429688 MB of memory in use. ENERGY: 2147000 755.6283 2145.8173 1942.8287 124.8431 -206604.5662 17990.6274 0.0000 0.0000 34213.5430 -149431.2784 298.7954 -183644.8214 -149335.3869 298.5539 4.8690 38.5153 558108.3437 4.6207 4.5246 PRESSURE: 2147200 -0.352683 138.581 -21.0783 138.58 -182.338 86.0382 -21.0775 86.039 80.9636 GPRESSURE: 2147200 58.913 142.626 -89.5438 126.984 -152.058 66.684 0.939483 96.3582 86.6952 PRESSAVG: 2147200 5.04555 14.3816 0.740139 14.3817 -6.33042 69.1611 0.740185 69.1611 51.9103 GPRESSAVG: 2147200 5.24887 13.2484 0.938419 15.9496 -5.84569 68.9078 0.91122 68.0821 51.6823 TIMING: 2147200 CPU: 6391.57, 0.0029727/step Wall: 6391.57, 0.0029727/step, 2.3557 hours remaining, 205.429688 MB of memory in use. ENERGY: 2147200 756.0142 2057.1688 1932.5786 131.4590 -206390.8614 17910.3559 0.0000 0.0000 34152.2927 -149450.9923 298.2605 -183603.2850 -149355.6495 298.4301 -33.9090 -2.1499 557259.9892 16.8752 17.0285 PRESSURE: 2147400 35.2385 -71.4605 51.5545 -71.4604 -136.977 -146.825 51.5551 -146.824 -91.9668 GPRESSURE: 2147400 91.1855 -121.153 -17.7715 -108.901 -101.792 -108.376 52.1145 -184.755 -86.4363 PRESSAVG: 2147400 5.82228 39.7681 30.1405 39.7681 16.8114 35.153 30.1406 35.153 5.06849 GPRESSAVG: 2147400 5.51492 40.5735 29.1862 40.3632 17.3809 36.9665 28.5966 30.4327 4.62556 TIMING: 2147400 CPU: 6392.17, 0.00299116/step Wall: 6392.17, 0.00299116/step, 2.37016 hours remaining, 205.429688 MB of memory in use. ENERGY: 2147400 780.9126 2067.9052 1963.6919 120.1683 -206552.8409 18001.0278 0.0000 0.0000 34084.6658 -149534.4693 297.6699 -183619.1352 -149440.2462 298.4085 -64.5683 -32.3477 558361.6261 9.2341 9.1738 PRESSURE: 2147600 -175.279 150.241 30.2879 150.242 -499.271 2.72561 30.2886 2.72677 -319.081 GPRESSURE: 2147600 -178.299 124.043 57.8773 86.3003 -432.358 -19.0005 25.1031 1.46176 -263.69 PRESSAVG: 2147600 72.4688 -26.491 20.912 -26.491 -43.7099 -2.26903 20.9121 -2.26907 6.20102 GPRESSAVG: 2147600 71.3052 -26.4253 22.6076 -26.9818 -44.3264 -2.89079 22.7955 0.719095 8.0907 TIMING: 2147600 CPU: 6392.76, 0.00296032/step Wall: 6392.76, 0.00296032/step, 2.34556 hours remaining, 205.429688 MB of memory in use. ENERGY: 2147600 751.0470 2131.8415 1917.2717 112.2535 -206260.9284 17762.9400 0.0000 0.0000 34060.3959 -149525.1788 297.4579 -183585.5748 -149418.9456 298.0140 -331.2103 -291.4490 559996.9740 11.6533 11.6898 PRESSURE: 2147800 -73.9163 -37.1339 -28.8962 -37.1333 -74.913 97.7402 -28.8952 97.7405 300.56 GPRESSURE: 2147800 37.5739 50.644 -94.8495 -62.2042 -25.4704 121.063 -37.5237 114.116 228.798 PRESSAVG: 2147800 -11.8655 -7.51386 11.7128 -7.51388 -3.55921 53.7376 11.7128 53.7376 19.7578 GPRESSAVG: 2147800 -10.2897 -6.7229 9.7504 -9.20668 -3.44854 54.8346 13.5593 52.8748 17.8529 TIMING: 2147800 CPU: 6393.36, 0.00298088/step Wall: 6393.36, 0.00298088/step, 2.36169 hours remaining, 205.429688 MB of memory in use. ENERGY: 2147800 767.0316 2126.2135 1969.3772 104.3415 -206966.0545 18224.1958 0.0000 0.0000 34163.8532 -149611.0418 298.3614 -183774.8950 -149515.6732 298.0786 50.5769 80.3006 558089.9105 1.4444 1.3716 PRESSURE: 2148000 -16.8823 -38.6948 46.6564 -38.6949 -178.133 -133.818 46.6566 -133.817 -30.4597 GPRESSURE: 2148000 -0.0151008 -115.292 -15.5586 -11.0977 -198.583 -183.997 52.2249 -196.066 82.5623 PRESSAVG: 2148000 -24.44 49.4365 17.4251 49.4366 -18.746 -38.2793 17.4251 -38.2793 9.97726 GPRESSAVG: 2148000 -24.5492 49.3005 16.8823 51.1548 -20.161 -38.0566 14.4533 -38.8323 11.4807 TIMING: 2148000 CPU: 6393.95, 0.00297811/step Wall: 6393.95, 0.00297811/step, 2.35933 hours remaining, 205.429688 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: 2148000 760.4133 2100.0298 1935.5660 109.0058 -206492.4924 17738.8899 0.0000 0.0000 34246.9245 -149601.6631 299.0869 -183848.5876 -149505.5885 298.4149 -75.1584 -38.6787 556509.2743 -11.0696 -11.0765 PRESSURE: 2148200 174.822 99.8354 -52.8254 99.8363 -93.7376 -78.0434 -52.8236 -78.0417 171.84 GPRESSURE: 2148200 262.303 171.925 -42.74 73.3621 -78.8377 -69.1327 -34.5796 -84.0904 167.02 PRESSAVG: 2148200 -5.46233 -4.47969 35.1724 -4.47965 -37.66 -44.9784 35.1726 -44.9785 -2.51748 GPRESSAVG: 2148200 -5.94548 -5.72384 38.0302 -4.35481 -37.4938 -45.031 34.2876 -44.5109 -2.25773 TIMING: 2148200 CPU: 6394.56, 0.00300309/step Wall: 6394.56, 0.00300309/step, 2.37895 hours remaining, 205.429688 MB of memory in use. ENERGY: 2148200 768.0589 2085.1092 1942.2245 116.6946 -206765.9562 18065.7578 0.0000 0.0000 34317.7518 -149470.3595 299.7055 -183788.1113 -149376.0087 298.1685 84.3082 116.8283 557035.7315 -15.2133 -15.2323 LDB: ============= START OF LOAD BALANCING ============== 6397.98 LDB: ============== END OF LOAD BALANCING =============== 6397.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6397.98 LDB: ============= START OF LOAD BALANCING ============== 6398.28 LDB: Largest compute 4821 load 0.026309 is 22.3% of average load 0.118001 LDB: Average compute 0.001712 is 1.5% of average load 0.118001 LDB: TIME 6398.29 LOAD: AVG 0.118001 MAX 0.202395 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 6398.29 LOAD: AVG 0.118001 MAX 0.202395 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: TIME 6398.29 LOAD: AVG 0.118001 MAX 0.202395 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6398.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6398.29 PRESSURE: 2148400 -119.618 -235.784 212.636 -235.783 -96.3147 -141.418 212.637 -141.419 -93.7638 GPRESSURE: 2148400 -117.335 -197.274 165.24 -152.367 -83.4696 -89.5896 255.024 -96.797 -16.9192 PRESSAVG: 2148400 31.286 -65.7201 23.1531 -65.7201 -57.3457 11.3166 23.1531 11.3166 -0.172188 GPRESSAVG: 2148400 30.8396 -63.8787 21.1099 -66.6299 -56.851 10.5611 23.7837 13.355 -0.636325 TIMING: 2148400 CPU: 6395.16, 0.00304198/step Wall: 6395.16, 0.00304198/step, 2.40958 hours remaining, 206.710938 MB of memory in use. ENERGY: 2148400 710.8988 2115.3232 1925.5373 114.7842 -206682.5606 17851.0749 0.0000 0.0000 34155.0464 -149809.8957 298.2845 -183964.9421 -149714.0852 298.5778 -103.2321 -72.5746 556795.0656 -8.7440 -8.8826 PRESSURE: 2148600 -100.06 -72.711 134.699 -72.7109 -104.591 225.338 134.698 225.338 105.596 GPRESSURE: 2148600 -85.8881 -206.675 140.707 -37.0122 -83.8104 215.323 87.2696 220.953 173.605 PRESSAVG: 2148600 -1.98305 -11.8128 -33.4827 -11.8129 -34.0418 28.1404 -33.4828 28.1404 19.7257 GPRESSAVG: 2148600 -1.97736 -12.7025 -32.2354 -13.3579 -33.1739 27.9349 -34.7893 28.1283 19.3035 TIMING: 2148600 CPU: 6395.76, 0.00300155/step Wall: 6395.76, 0.00300155/step, 2.37739 hours remaining, 206.710938 MB of memory in use. ENERGY: 2148600 796.3787 2132.7890 1941.0908 114.1752 -206845.2658 18083.2385 0.0000 0.0000 33960.9947 -149816.5989 296.5898 -183777.5936 -149716.4090 296.7340 -33.0185 1.3022 558473.9027 -5.4331 -5.2826 PRESSURE: 2148800 -30.7451 184.936 -42.3488 184.936 -212.621 -51.8984 -42.3482 -51.8966 -2.89193 GPRESSURE: 2148800 41.3479 242.031 -4.63094 265.468 -175.937 -17.5852 -114.536 12.9646 -10.3649 PRESSAVG: 2148800 30.7182 -39.6281 39.2273 -39.6281 11.1203 40.3547 39.2273 40.3548 -41.4335 GPRESSAVG: 2148800 30.4183 -38.9107 39.0208 -38.2015 11.0646 39.6863 38.6876 38.8033 -41.455 TIMING: 2148800 CPU: 6396.36, 0.00297806/step Wall: 6396.36, 0.00297806/step, 2.35863 hours remaining, 206.710938 MB of memory in use. ENERGY: 2148800 761.3785 2088.0065 1957.7044 130.2078 -206740.3485 17928.5224 0.0000 0.0000 34085.1552 -149789.3737 297.6741 -183874.5289 -149690.9312 297.7953 -82.0860 -48.3180 558555.3668 0.1350 0.0093 PRESSURE: 2149000 -104.24 -235.979 134.381 -235.979 -22.9041 -49.7221 134.381 -49.723 -29.1297 GPRESSURE: 2149000 7.06146 -381.256 133.902 -188.917 -11.9665 -88.1473 126.478 -38.3354 -62.2635 PRESSAVG: 2149000 40.9243 -78.4185 15.7639 -78.4186 -11.1824 6.4186 15.7639 6.41867 -72.2757 GPRESSAVG: 2149000 42.2316 -77.1387 14.6429 -79.9135 -12.8445 7.24337 17.9427 6.94932 -71.835 TIMING: 2149000 CPU: 6396.96, 0.00298976/step Wall: 6396.96, 0.00298976/step, 2.36773 hours remaining, 206.964844 MB of memory in use. ENERGY: 2149000 737.9838 2173.3673 1945.1627 117.8280 -206699.8884 17950.0636 0.0000 0.0000 34014.3808 -149761.1022 297.0560 -183775.4830 -149664.0236 297.8921 -52.0914 -22.3895 558789.3991 -14.1779 -14.1493 PRESSURE: 2149200 -155.085 -113.008 -65.9655 -113.01 111.198 -162.854 -65.9642 -162.853 -262.244 GPRESSURE: 2149200 -140.606 -131.073 -128.472 -133.284 104.819 -161.46 -49.9558 -119.494 -162.434 PRESSAVG: 2149200 -8.23734 6.16272 -25.6722 6.16264 -20.5021 -36.7113 -25.6721 -36.7112 43.949 GPRESSAVG: 2149200 -9.57911 2.22551 -24.1564 6.14682 -20.1759 -36.7417 -25.0967 -36.5254 44.7674 TIMING: 2149200 CPU: 6397.55, 0.00296995/step Wall: 6397.55, 0.00296995/step, 2.35187 hours remaining, 206.964844 MB of memory in use. ENERGY: 2149200 807.8941 2108.9069 1935.7561 117.2709 -206701.8699 18034.2625 0.0000 0.0000 34152.5520 -149545.2273 298.2627 -183697.7794 -149453.5250 298.1573 -102.0436 -66.0738 557384.2581 5.0699 5.0041 PRESSURE: 2149400 -160.993 47.2754 -118.588 47.2749 126.108 -138.615 -118.587 -138.618 31.1173 GPRESSURE: 2149400 -186.899 -2.1352 -93.9283 109.813 189.761 -144.738 -157.963 -136.115 95.3677 PRESSAVG: 2149400 -90.1826 -14.8938 -24.7038 -14.8937 76.419 14.8549 -24.7038 14.8549 56.5544 GPRESSAVG: 2149400 -90.6574 -13.4885 -22.3522 -13.1033 76.4725 15.7798 -26.7647 16.0949 56.9767 TIMING: 2149400 CPU: 6398.15, 0.00297104/step Wall: 6398.15, 0.00297104/step, 2.35257 hours remaining, 206.964844 MB of memory in use. ENERGY: 2149400 723.6504 2123.9298 1958.6612 123.2070 -206390.1106 17902.7344 0.0000 0.0000 34004.1895 -149553.7384 296.9670 -183557.9279 -149458.8361 298.4243 -1.2561 32.7431 557294.2772 14.2636 14.2639 PRESSURE: 2149600 -65.8997 -19.9483 -229.336 -19.9489 -118.526 45.8386 -229.335 45.8365 -110.058 GPRESSURE: 2149600 -45.7569 -95.4639 -87.4225 14.5842 -102.589 53.6904 -304.026 17.835 -52.9955 PRESSAVG: 2149600 -50.1048 49.8749 -66.7175 49.8749 44.9789 -2.3007 -66.7175 -2.30076 10.4524 GPRESSAVG: 2149600 -48.6219 48.6919 -69.9785 51.061 44.3425 -2.02887 -63.2812 -4.55382 9.68224 TIMING: 2149600 CPU: 6398.74, 0.00298832/step Wall: 6398.74, 0.00298832/step, 2.36609 hours remaining, 206.964844 MB of memory in use. ENERGY: 2149600 754.1263 2097.9008 1950.4495 115.1223 -206279.7950 17780.2043 0.0000 0.0000 33976.0933 -149605.8986 296.7217 -183581.9918 -149510.8911 297.5501 -98.1614 -67.1138 557547.8841 1.7755 1.8009 PRESSURE: 2149800 -39.5312 -16.3902 51.2096 -16.3894 -259.232 155.672 51.2096 155.672 208.092 GPRESSURE: 2149800 -22.9364 10.3528 19.1934 19.2143 -190.715 148.031 74.3578 254.981 208.353 PRESSAVG: 2149800 -8.01853 17.6986 -52.5114 17.6986 -15.7669 34.5761 -52.5115 34.5761 30.4365 GPRESSAVG: 2149800 -7.85938 18.7487 -50.3308 17.1193 -15.0899 32.4234 -54.6312 36.8592 29.3596 TIMING: 2149800 CPU: 6399.34, 0.00298686/step Wall: 6399.34, 0.00298686/step, 2.36477 hours remaining, 206.964844 MB of memory in use. ENERGY: 2149800 756.0996 2128.4482 1950.5454 114.2545 -206584.9319 17828.0677 0.0000 0.0000 34217.3464 -149590.1701 298.8286 -183807.5166 -149502.6838 297.7537 -30.2238 -1.7662 556415.7622 2.2170 2.1368 PRESSURE: 2150000 -142.475 128.143 100.115 128.143 10.0472 -7.04843 100.116 -7.04879 -1.5547 GPRESSURE: 2150000 -40.8789 189.36 121.196 155.776 -17.3914 -30.7304 124.947 -69.3524 30.3794 PRESSAVG: 2150000 6.88245 -8.53108 21.6059 -8.53105 -42.4993 -37.2593 21.6061 -37.2595 43.3571 GPRESSAVG: 2150000 6.46021 -8.63939 21.1644 -8.32915 -41.6154 -36.4466 20.6143 -37.5601 43.5621 TIMING: 2150000 CPU: 6399.93, 0.00295484/step Wall: 6399.93, 0.00295484/step, 2.33925 hours remaining, 206.964844 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: 2150000 756.7864 2186.2280 1938.0255 113.0245 -206430.0352 17822.8409 0.0000 0.0000 34048.8909 -149564.2391 297.3574 -183613.1299 -149473.1606 297.9859 -44.6608 -9.2970 556192.5266 2.5801 2.8023 PRESSURE: 2150200 81.8163 -111.33 -4.70365 -111.331 -84.1325 -0.879823 -4.70435 -0.879994 267.418 GPRESSURE: 2150200 135.468 -165.721 -99.6305 -168.873 -46.4749 33.4596 153.498 -19.0889 291.091 PRESSAVG: 2150200 4.36436 -11.8955 -9.5187 -11.8954 -54.0607 42.8622 -9.51878 42.8622 45.589 GPRESSAVG: 2150200 5.15605 -12.2673 -10.1753 -14.1079 -55.2148 44.1404 -7.0195 41.6062 45.8137 TIMING: 2150200 CPU: 6400.53, 0.00296761/step Wall: 6400.53, 0.00296761/step, 2.3492 hours remaining, 206.964844 MB of memory in use. ENERGY: 2150200 742.4889 2080.3042 1920.6029 127.0412 -206397.3640 17995.9646 0.0000 0.0000 34091.0509 -149439.9113 297.7256 -183530.9622 -149341.5984 298.5492 88.3671 126.6947 555700.7606 -1.3691 -1.4150 PRESSURE: 2150400 -204.033 -88.3395 -41.7926 -88.3406 -53.0573 92.7542 -41.7923 92.7547 -125.35 GPRESSURE: 2150400 -157.319 -101.826 -15.4588 -35.7264 -55.9297 66.4363 -77.8736 95.0644 -72.3484 PRESSAVG: 2150400 -62.8271 -52.1981 -34.0955 -52.1981 20.6683 -8.47491 -34.0955 -8.47501 62.9475 GPRESSAVG: 2150400 -63.142 -50.2665 -33.3847 -50.8346 21.5391 -8.86696 -33.494 -7.72173 62.3258 TIMING: 2150400 CPU: 6401.12, 0.00294982/step Wall: 6401.12, 0.00294982/step, 2.33495 hours remaining, 206.964844 MB of memory in use. ENERGY: 2150400 758.4006 2140.0079 1920.1473 115.4124 -206376.1600 17775.8187 0.0000 0.0000 34134.9419 -149531.4311 298.1089 -183666.3730 -149433.7162 298.5525 -127.4801 -95.1992 555945.9461 6.9296 6.9076 PRESSURE: 2150600 -170.528 -105.011 76.7141 -105.012 169.33 5.91763 76.7143 5.917 -12.5021 GPRESSURE: 2150600 -119.496 -115.718 66.2828 -91.2338 140.344 8.89078 52.6283 97.4321 53.102 PRESSAVG: 2150600 -44.0803 -15.5738 -3.50038 -15.5737 12.2624 -26.804 -3.50034 -26.804 9.45363 GPRESSAVG: 2150600 -45.9129 -15.2038 -2.86908 -17.265 12.08 -27.9758 -5.03373 -25.9945 11.089 TIMING: 2150600 CPU: 6401.71, 0.00297554/step Wall: 6401.71, 0.00297554/step, 2.35514 hours remaining, 206.964844 MB of memory in use. ENERGY: 2150600 744.4668 2147.6975 1936.8565 111.7950 -206285.2369 17794.6695 0.0000 0.0000 33991.2690 -149558.4827 296.8542 -183549.7516 -149463.2840 298.9486 -4.5670 24.6499 555236.5416 -7.4548 -7.5813 PRESSURE: 2150800 -187.377 55.2097 -16.7025 55.2101 -4.06714 166.64 -16.7031 166.64 -149.247 GPRESSURE: 2150800 -217.338 160.761 -78.984 36.049 102.009 210.038 -54.7579 85.8709 -133.66 PRESSAVG: 2150800 30.5542 -14.2549 -16.7819 -14.2549 41.879 16.9328 -16.7819 16.933 -21.1885 GPRESSAVG: 2150800 31.1866 -14.7703 -18.6566 -14.9082 41.9855 16.3504 -17.1863 16.5771 -22.3607 TIMING: 2150800 CPU: 6402.31, 0.00298753/step Wall: 6402.31, 0.00298752/step, 2.36446 hours remaining, 206.964844 MB of memory in use. ENERGY: 2150800 739.2224 2073.9836 1946.9007 107.2051 -206448.4137 17764.2863 0.0000 0.0000 34251.8427 -149564.9727 299.1299 -183816.8154 -149472.1678 298.2404 -113.5637 -82.9960 555932.6442 17.0816 16.9372 PRESSURE: 2151000 15.9344 158.814 -15.6734 158.815 44.3351 96.5678 -15.672 96.5688 -159.505 GPRESSURE: 2151000 53.2572 182.278 53.7886 77.891 54.6408 152.988 -47.8302 80.239 -116.03 PRESSAVG: 2151000 -1.1984 63.2747 2.33673 63.2747 13.7648 13.2264 2.33677 13.2264 -27.967 GPRESSAVG: 2151000 -1.77362 63.724 2.76539 63.406 13.7995 13.7519 3.09737 13.2885 -27.5846 TIMING: 2151000 CPU: 6402.9, 0.00297169/step Wall: 6402.9, 0.00297169/step, 2.35176 hours remaining, 206.964844 MB of memory in use. ENERGY: 2151000 769.8122 2085.9154 1957.3092 118.1562 -206098.4715 17805.3591 0.0000 0.0000 34055.4330 -149306.4865 297.4146 -183361.9194 -149210.0797 299.0124 -33.0786 -2.7108 557198.8791 -5.1335 -5.1862 PRESSURE: 2151200 -149.439 -8.28805 -70.7024 -8.28906 82.3237 -27.828 -70.703 -27.8267 -0.0622432 GPRESSURE: 2151200 -120.209 72.6367 -108.074 -97.7593 96.4141 20.5451 -53.3994 -86.9489 38.9517 PRESSAVG: 2151200 5.57639 -15.4254 -9.50857 -15.4255 17.0278 -20.8495 -9.50866 -20.8494 -39.7012 GPRESSAVG: 2151200 6.94153 -16.5748 -9.0722 -13.9125 16.1195 -20.8231 -8.53419 -22.7135 -39.9275 TIMING: 2151200 CPU: 6403.5, 0.0029795/step Wall: 6403.5, 0.0029795/step, 2.35778 hours remaining, 206.964844 MB of memory in use. ENERGY: 2151200 763.3967 2117.3711 1936.9723 106.8268 -206679.8346 18008.4839 0.0000 0.0000 34433.7774 -149313.0063 300.7187 -183746.7838 -149221.4625 298.8467 -22.3926 5.0523 556835.2833 -5.6990 -5.6221 PRESSURE: 2151400 -256.253 -101.351 -215.251 -101.351 -223.849 -9.4642 -215.253 -9.46533 251.922 GPRESSURE: 2151400 -191.541 -135.902 -273.011 -143.828 -157.516 -94.3314 -139.078 11.4568 222.483 PRESSAVG: 2151400 55.3263 6.48032 -18.8419 6.48028 -70.641 -41.4208 -18.842 -41.4206 59.8729 GPRESSAVG: 2151400 54.9581 5.39598 -19.8104 7.6802 -70.8464 -39.7995 -20.0319 -40.9588 59.7775 TIMING: 2151400 CPU: 6404.1, 0.00300458/step Wall: 6404.1, 0.00300458/step, 2.37746 hours remaining, 206.964844 MB of memory in use. ENERGY: 2151400 747.1924 2145.4609 1960.9076 120.7039 -206400.7200 17809.3722 0.0000 0.0000 34239.5712 -149377.5119 299.0227 -183617.0830 -149286.2560 299.1461 -76.0602 -42.1914 557480.5368 14.8528 14.6297 PRESSURE: 2151600 11.1539 -12.7028 -115.092 -12.7025 248.575 -122.235 -115.092 -122.237 233.654 GPRESSURE: 2151600 97.9195 26.4137 -83.5926 -20.9287 263.595 -135.75 -186.879 -124.929 234.045 PRESSAVG: 2151600 -39.0375 9.14416 -37.2498 9.14418 -28.7758 -5.09557 -37.2499 -5.09558 51.4145 GPRESSAVG: 2151600 -39.179 10.1335 -36.0123 8.53901 -29.4009 -6.35117 -36.4324 -3.87247 51.7442 TIMING: 2151600 CPU: 6404.7, 0.00300133/step Wall: 6404.7, 0.00300133/step, 2.37472 hours remaining, 206.964844 MB of memory in use. ENERGY: 2151600 761.2193 2059.0808 1937.4784 105.3207 -206529.0751 18182.2562 0.0000 0.0000 33944.0974 -149539.6221 296.4422 -183483.7196 -149444.3021 298.5539 164.4610 198.5198 556549.5885 -5.4663 -5.6119 PRESSURE: 2151800 -41.0061 62.7458 23.8335 62.7461 138.882 60.1612 23.8345 60.1614 -283.589 GPRESSURE: 2151800 -0.0457654 75.4766 44.6955 107.301 107.742 32.527 6.76579 51.7413 -202.257 PRESSAVG: 2151800 3.18182 31.4788 -17.0394 31.4788 -40.5339 -9.11296 -17.0393 -9.11291 29.1749 GPRESSAVG: 2151800 3.06208 33.05 -17.4745 31.4841 -39.3252 -6.82678 -16.9807 -9.79708 27.6844 TIMING: 2151800 CPU: 6405.3, 0.00298533/step Wall: 6405.3, 0.00298533/step, 2.36189 hours remaining, 206.964844 MB of memory in use. ENERGY: 2151800 745.6118 2102.3237 1923.1961 122.9174 -206401.5268 17774.9003 0.0000 0.0000 34223.7928 -149508.7848 298.8849 -183732.5776 -149408.6395 298.2944 -61.9044 -31.5206 556005.2438 -2.7257 -2.8596 PRESSURE: 2152000 -48.9055 -146.551 6.96946 -146.552 -191.573 -12.4145 6.97002 -12.4137 -78.371 GPRESSURE: 2152000 -19.1947 -96.1604 -40.848 -102.215 -150.688 -11.0772 21.7569 -5.72009 -50.7415 PRESSAVG: 2152000 -5.59026 -5.06421 44.1628 -5.06416 -66.4109 5.73163 44.1628 5.73171 38.8356 GPRESSAVG: 2152000 -6.41328 -4.86479 44.9927 -5.37982 -66.1426 2.25451 44.4009 7.06842 39.1408 TIMING: 2152000 CPU: 6405.9, 0.00299629/step Wall: 6405.9, 0.00299629/step, 2.3704 hours remaining, 206.964844 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: 2152000 759.0636 2129.0775 1907.6418 105.3347 -206072.6490 17699.3636 0.0000 0.0000 33994.0947 -149478.0732 296.8789 -183472.1678 -149379.4435 298.6589 -106.2832 -73.5415 558348.4767 -11.0552 -11.1383 PRESSURE: 2152200 -69.2419 -1.89974 -21.7975 -1.90014 104.892 -64.3842 -21.7976 -64.3867 270.12 GPRESSURE: 2152200 -29.8455 -9.27379 0.965378 11.3978 127.49 -128.381 -32.595 -56.7695 300.157 PRESSAVG: 2152200 11.5503 16.4281 33.9843 16.428 17.0143 -1.77793 33.9844 -1.77795 -43.3452 GPRESSAVG: 2152200 10.2697 13.7293 32.9246 18.1599 17.447 1.8836 32.9804 -3.23639 -41.9807 TIMING: 2152200 CPU: 6406.5, 0.00301188/step Wall: 6406.5, 0.00301188/step, 2.38256 hours remaining, 206.964844 MB of memory in use. ENERGY: 2152200 715.5054 2112.5547 1936.0932 107.9326 -206350.0142 17888.9912 0.0000 0.0000 34096.5806 -149492.3564 297.7739 -183588.9370 -149395.5182 298.5344 101.9231 132.6004 556983.0237 -4.9269 -4.7547 LDB: ============= START OF LOAD BALANCING ============== 6409.92 LDB: ============== END OF LOAD BALANCING =============== 6409.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6409.93 LDB: ============= START OF LOAD BALANCING ============== 6410.22 LDB: Largest compute 4821 load 0.026387 is 22.3% of average load 0.118094 LDB: Average compute 0.001709 is 1.4% of average load 0.118094 LDB: TIME 6410.23 LOAD: AVG 0.118094 MAX 0.201218 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 6410.23 LOAD: AVG 0.118094 MAX 0.201218 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 6410.23 LOAD: AVG 0.118094 MAX 0.201218 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6410.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6410.23 PRESSURE: 2152400 -324.822 -62.4058 -74.9014 -62.405 -264.25 4.81528 -74.8995 4.81557 -19.3009 GPRESSURE: 2152400 -343.405 -18.942 -82.0878 -81.6466 -207.892 16.7643 -136.912 -22.07 47.2663 PRESSAVG: 2152400 48.6617 21.7726 17.5519 21.7726 -88.6163 -24.711 17.5519 -24.711 38.4542 GPRESSAVG: 2152400 49.8024 22.2638 18.5197 20.2932 -89.7335 -27.0277 17.2638 -22.8964 37.813 TIMING: 2152400 CPU: 6407.11, 0.00303394/step Wall: 6407.11, 0.00303394/step, 2.39985 hours remaining, 206.707031 MB of memory in use. ENERGY: 2152400 758.6859 2084.0927 1933.3646 105.3833 -205938.7800 17423.9942 0.0000 0.0000 34265.2977 -149367.9617 299.2474 -183633.2593 -149279.4744 299.1427 -202.7910 -168.0104 557936.7774 -0.5001 -0.7060 PRESSURE: 2152600 -248.958 44.5595 16.2089 44.5592 -205.725 -77.8441 16.2095 -77.8442 57.0072 GPRESSURE: 2152600 -229.425 87.3382 -17.2301 -53.9892 -109.708 -176.006 78.7277 -66.7946 32.1399 PRESSAVG: 2152600 2.24714 10.7493 15.2187 10.7492 -31.2522 42.3878 15.2187 42.3879 13.6635 GPRESSAVG: 2152600 1.74205 10.028 15.7578 12.6079 -30.5077 43.7045 15.4887 40.0118 13.7095 TIMING: 2152600 CPU: 6407.7, 0.00299132/step Wall: 6407.7, 0.00299132/step, 2.36597 hours remaining, 206.707031 MB of memory in use. ENERGY: 2152600 728.0223 2109.3726 1982.5957 119.6757 -205898.4992 17487.6179 0.0000 0.0000 34104.9278 -149366.2872 297.8468 -183471.2150 -149269.4838 298.3083 -132.5586 -102.3313 557051.3529 -5.1139 -5.0187 PRESSURE: 2152800 -94.411 69.7192 188.804 69.7189 -407.537 -19.9828 188.803 -19.9825 -81.9765 GPRESSURE: 2152800 -19.7166 18.6664 182.464 24.7903 -408.981 -23.9168 195.927 -56.8349 -68.4722 PRESSAVG: 2152800 -87.6996 -28.103 38.161 -28.103 -39.802 15.5698 38.161 15.5698 72.1045 GPRESSAVG: 2152800 -87.0535 -27.2631 36.9236 -27.5659 -40.2403 13.3263 39.391 16.7123 72.3037 TIMING: 2152800 CPU: 6408.31, 0.00301737/step Wall: 6408.31, 0.00301737/step, 2.3864 hours remaining, 206.707031 MB of memory in use. ENERGY: 2152800 763.5626 2060.5166 1963.2455 122.0108 -206036.8724 17554.8265 0.0000 0.0000 34191.3121 -149381.3982 298.6012 -183572.7103 -149291.5074 298.6208 -194.6414 -165.7234 558393.8211 -18.4657 -18.3300 PRESSURE: 2153000 -340.614 -68.1135 -2.49272 -68.1156 -240.966 51.1282 -2.49294 51.1294 156.107 GPRESSURE: 2153000 -230.441 -80.0336 -43.3433 28.1958 -234.449 22.0899 95.5444 16.2104 136.922 PRESSAVG: 2153000 -25.7045 3.13402 11.2842 3.13408 28.198 -33.1826 11.2842 -33.1826 10.8003 GPRESSAVG: 2153000 -25.4002 3.32033 11.3353 2.48467 27.1927 -31.2525 10.1416 -33.4394 11.5036 TIMING: 2153000 CPU: 6408.91, 0.00301976/step Wall: 6408.91, 0.00301976/step, 2.38813 hours remaining, 206.707031 MB of memory in use. ENERGY: 2153000 764.8574 2086.1546 1932.5088 113.8789 -205929.8469 17632.9139 0.0000 0.0000 34080.1209 -149319.4124 297.6302 -183399.5334 -149233.6497 298.6475 -141.8245 -109.3225 557674.2263 4.4313 4.4320 PRESSURE: 2153200 159.51 153.985 7.93079 153.984 349.548 -98.0945 7.93033 -98.0941 153.063 GPRESSURE: 2153200 150.786 134.31 -72.8051 158.916 398.261 -58.5177 127.445 -7.47963 197.571 PRESSAVG: 2153200 16.2874 25.6 -3.00361 25.6 6.72536 -27.9732 -3.00364 -27.9733 4.92735 GPRESSAVG: 2153200 15.54 26.0877 -3.14495 24.4436 7.61353 -27.9324 -3.52783 -26.9962 4.53043 TIMING: 2153200 CPU: 6409.51, 0.00300526/step Wall: 6409.51, 0.00300526/step, 2.3765 hours remaining, 206.707031 MB of memory in use. ENERGY: 2153200 727.6006 2119.5176 1952.0689 112.2312 -206475.3946 18156.4257 0.0000 0.0000 34085.0379 -149322.5128 297.6731 -183407.5507 -149230.5071 298.8561 220.7071 248.8730 556251.7968 9.3134 9.2280 PRESSURE: 2153400 -231.706 65.279 53.6841 65.28 -68.269 32.8688 53.684 32.8679 -53.074 GPRESSURE: 2153400 -198.612 -18.749 18.4311 118.314 -10.7867 66.3685 67.2926 64.6354 -55.0472 PRESSAVG: 2153400 19.1538 -4.18336 -10.9122 -4.18333 7.63152 14.1022 -10.9121 14.1022 29.853 GPRESSAVG: 2153400 18.1033 -3.48046 -10.5791 -6.54426 8.55653 14.6263 -9.87152 11.9112 30.5615 TIMING: 2153400 CPU: 6410.11, 0.00298342/step Wall: 6410.11, 0.00298342/step, 2.35906 hours remaining, 206.707031 MB of memory in use. ENERGY: 2153400 788.7894 2036.2416 1932.7683 110.0610 -206135.0535 17735.6232 0.0000 0.0000 34354.3077 -149177.2623 300.0247 -183531.5700 -149080.9701 299.9310 -117.6829 -88.1487 557357.2737 18.8795 19.0738 PRESSURE: 2153600 37.3488 93.7064 -96.8776 93.7064 202.392 115.238 -96.8782 115.235 -226.087 GPRESSURE: 2153600 20.0172 2.77437 -78.1532 33.1156 264.195 88.9609 -98.0819 141.841 -165.046 PRESSAVG: 2153600 64.0732 -3.01845 4.67655 -3.01838 -98.4032 32.824 4.67663 32.8239 25.6755 GPRESSAVG: 2153600 65.2262 -4.99461 3.87407 -2.36475 -98.9964 30.4049 5.32754 35.9117 25.0013 TIMING: 2153600 CPU: 6410.71, 0.00298319/step Wall: 6410.71, 0.00298319/step, 2.35871 hours remaining, 206.707031 MB of memory in use. ENERGY: 2153600 713.4414 2082.4553 1956.1870 93.5053 -205922.0553 17745.0166 0.0000 0.0000 34141.9558 -149189.4938 298.1702 -183331.4496 -149093.9109 298.9334 4.5513 39.7218 556569.5618 -2.8848 -2.9230 PRESSURE: 2153800 -99.3959 -40.1347 -113.719 -40.134 -244.032 -126.161 -113.718 -126.162 -44.3204 GPRESSURE: 2153800 -88.3946 1.11808 -115.485 -54.6323 -207.933 -183.492 -125.836 -218.528 20.9322 PRESSAVG: 2153800 -21.7669 -29.553 -13.1506 -29.5531 -15.508 -21.5274 -13.1506 -21.5273 17.4278 GPRESSAVG: 2153800 -22.715 -29.2186 -14.0652 -27.8986 -15.3364 -20.7585 -12.7707 -22.3963 18.3036 TIMING: 2153800 CPU: 6411.3, 0.00296941/step Wall: 6411.3, 0.00296941/step, 2.34765 hours remaining, 206.707031 MB of memory in use. ENERGY: 2153800 747.5989 2037.6819 1958.6000 109.6867 -206006.9215 17572.0060 0.0000 0.0000 34221.7635 -149359.5846 298.8672 -183581.3481 -149265.8497 299.0475 -129.2493 -91.7984 556398.0337 -6.6157 -6.5826 PRESSURE: 2154000 -296.16 35.2207 -171.13 35.2213 -98.4144 -11.2114 -171.129 -11.2112 -2.77358 GPRESSURE: 2154000 -196.654 24.3243 -189.765 2.3977 -113.91 36.5535 -200.776 -108.359 10.7649 PRESSAVG: 2154000 -60.0062 18.7446 14.88 18.7447 -31.1337 -55.8839 14.8799 -55.8839 53.0292 GPRESSAVG: 2154000 -59.3505 19.676 15.4609 17.9411 -31.4396 -55.5887 14.4661 -56.939 52.4962 TIMING: 2154000 CPU: 6411.89, 0.00296886/step Wall: 6411.89, 0.00296886/step, 2.34705 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: 2154000 748.2991 2088.2133 1932.9640 106.1346 -206144.3114 17706.0609 0.0000 0.0000 34325.4724 -149237.1671 299.7729 -183562.6394 -149143.0285 298.8772 -132.4494 -99.9330 556617.3424 -12.7036 -12.7646 PRESSURE: 2154200 -18.4214 -132.9 -120.945 -132.899 -229.253 4.06774 -120.945 4.06703 52.7153 GPRESSURE: 2154200 20.4715 -218.031 -104.095 -72.9153 -215.273 -16.0625 -112.653 54.852 100.433 PRESSAVG: 2154200 43.1187 -37.2332 26.2895 -37.2331 -47.3365 -37.1419 26.2895 -37.1419 38.9787 GPRESSAVG: 2154200 43.44 -38.0222 26.8111 -36.287 -48.4589 -36.7114 27.3801 -36.9938 39.8809 TIMING: 2154200 CPU: 6412.49, 0.00300937/step Wall: 6412.49, 0.00300937/step, 2.3789 hours remaining, 206.707031 MB of memory in use. ENERGY: 2154200 784.9766 2081.6183 1941.6416 102.9866 -206268.2117 17744.5661 0.0000 0.0000 34251.3704 -149361.0520 299.1257 -183612.4224 -149274.7724 299.4223 -64.9863 -31.4562 556489.6085 11.5870 11.6207 PRESSURE: 2154400 6.95415 -202.939 42.6548 -202.939 240.961 116.207 42.6549 116.207 -53.7987 GPRESSURE: 2154400 83.6303 -193.1 -9.2277 -255.891 224.696 91.2919 60.9423 109.508 -10.1978 PRESSAVG: 2154400 11.2309 8.01184 -45.2835 8.01192 2.51782 -75.0234 -45.2836 -75.0233 -27.0443 GPRESSAVG: 2154400 10.0025 10.3487 -44.7057 6.55118 4.47025 -74.0441 -48.2764 -77.9598 -28.0723 TIMING: 2154400 CPU: 6413.09, 0.00298942/step Wall: 6413.09, 0.00298942/step, 2.36297 hours remaining, 206.707031 MB of memory in use. ENERGY: 2154400 740.3719 2082.7334 1946.7245 124.6114 -206680.7060 18063.2498 0.0000 0.0000 34479.2676 -149243.7474 301.1160 -183723.0150 -149142.6647 298.7335 64.7056 99.3763 557565.8250 -4.4318 -4.5332 PRESSURE: 2154600 -17.9106 85.8672 183.143 85.867 50.9873 55.29 183.141 55.29 16.376 GPRESSURE: 2154600 27.0448 82.8332 272.527 169.556 55.4235 106.218 141.203 -86.4986 53.1064 PRESSAVG: 2154600 6.86364 16.202 5.68889 16.202 28.5886 -6.72425 5.68886 -6.72423 -34.0065 GPRESSAVG: 2154600 7.45363 14.0309 5.74719 17.5654 27.1639 -7.27655 7.89716 -5.93886 -33.4317 TIMING: 2154600 CPU: 6413.69, 0.0029992/step Wall: 6413.69, 0.0029992/step, 2.37054 hours remaining, 206.707031 MB of memory in use. ENERGY: 2154600 743.3630 2094.6729 1956.8651 123.8061 -206541.3100 17974.0815 0.0000 0.0000 34344.2936 -149304.2278 299.9373 -183648.5214 -149201.6092 299.6944 16.4843 45.1916 556459.7016 0.4819 0.3953 PRESSURE: 2154800 -374.849 -89.0027 161.132 -89.0025 -202.122 102.722 161.131 102.723 -49.8888 GPRESSURE: 2154800 -271.001 -53.4278 101.032 -46.7965 -230.261 123.204 149.205 122.855 -25.276 PRESSAVG: 2154800 -13.1515 -7.07635 -19.6184 -7.07638 26.3763 -27.8419 -19.6184 -27.8419 17.6429 GPRESSAVG: 2154800 -11.8905 -5.74035 -20.9522 -7.06082 26.4945 -28.1382 -20.0849 -26.4425 16.7786 TIMING: 2154800 CPU: 6414.29, 0.00301299/step Wall: 6414.29, 0.00301299/step, 2.38127 hours remaining, 206.707031 MB of memory in use. ENERGY: 2154800 778.4755 2031.0435 1945.2241 114.6172 -206287.8622 17767.5119 0.0000 0.0000 34369.7322 -149281.2578 300.1594 -183650.9900 -149178.3559 299.4602 -208.9535 -175.5128 557964.6499 10.2892 10.4609 PRESSURE: 2155000 -47.9786 77.7205 77.8001 77.7192 -205.539 -99.3653 77.7997 -99.3638 54.5396 GPRESSURE: 2155000 -13.3261 86.5781 35.7722 35.6989 -181.906 -64.7563 56.6927 -205.291 92.7766 PRESSAVG: 2155000 -34.63 -9.75347 17.2904 -9.75347 -20.5275 17.9555 17.2904 17.9556 93.8061 GPRESSAVG: 2155000 -36.0733 -9.01219 17.5187 -10.2478 -20.9178 18.5243 19.3428 18.1173 96.0389 TIMING: 2155000 CPU: 6414.9, 0.00301318/step Wall: 6414.9, 0.00301318/step, 2.38125 hours remaining, 206.707031 MB of memory in use. ENERGY: 2155000 740.2796 2034.9440 1933.0173 109.0865 -205929.8274 17554.0643 0.0000 0.0000 34328.6712 -149229.7644 299.8008 -183558.4356 -149131.4851 299.1523 -66.3259 -34.1517 557057.6369 12.8829 13.0159 PRESSURE: 2155200 137.753 -117.801 -3.58766 -117.801 -129.201 -45.8854 -3.58709 -45.8859 -31.376 GPRESSURE: 2155200 130.798 -52.2018 42.2073 -109.267 -91.4145 -25.7974 22.1314 -127.769 31.1549 PRESSAVG: 2155200 26.0723 43.8708 -29.8343 43.8708 -19.5969 14.4846 -29.8345 14.4847 -23.0788 GPRESSAVG: 2155200 26.9347 42.6465 -28.9914 43.5672 -20.0371 14.0693 -30.2537 12.8918 -24.0009 TIMING: 2155200 CPU: 6415.5, 0.00301382/step Wall: 6415.5, 0.00301382/step, 2.38159 hours remaining, 206.707031 MB of memory in use. ENERGY: 2155200 713.7666 2126.7521 1932.0978 107.1963 -206153.8027 17744.6930 0.0000 0.0000 34172.6145 -149356.6824 298.4379 -183529.2969 -149259.4405 298.7861 -7.6079 23.5129 557287.7213 -5.5345 -5.7011 PRESSURE: 2155400 -58.0056 1.3463 -20.4209 1.34599 32.7848 85.0243 -20.4209 85.023 272.099 GPRESSURE: 2155400 22.8039 32.7656 -39.6287 18.2444 47.382 -49.3788 7.99593 88.1105 271.626 PRESSAVG: 2155400 22.0303 33.9629 61.3963 33.9629 32.9932 43.0517 61.3964 43.0517 -57.0493 GPRESSAVG: 2155400 21.3138 33.873 61.6549 34.8177 33.4026 40.9461 59.6488 46.0855 -56.8463 TIMING: 2155400 CPU: 6416.1, 0.0029911/step Wall: 6416.1, 0.0029911/step, 2.36347 hours remaining, 206.707031 MB of memory in use. ENERGY: 2155400 743.9563 2151.9068 1952.9266 120.0640 -206433.5858 17954.2874 0.0000 0.0000 34033.3066 -149477.1380 297.2213 -183510.4446 -149379.5028 298.4908 82.2929 113.9373 556338.9707 -0.6753 -0.7100 PRESSURE: 2155600 -25.4239 88.8806 -96.6228 88.8802 -253.5 56.9538 -96.6231 56.9533 -111.583 GPRESSURE: 2155600 45.915 91.0559 -56.6832 6.36264 -199.587 69.9039 -133.654 38.1434 -130.46 PRESSAVG: 2155600 15.3919 19.8359 -16.7278 19.8359 -12.9584 18.4607 -16.7279 18.4608 25.0718 GPRESSAVG: 2155600 16.0689 19.0493 -15.793 19.8968 -13.6358 20.302 -17.1286 15.4306 24.8243 TIMING: 2155600 CPU: 6416.7, 0.0029897/step Wall: 6416.7, 0.0029897/step, 2.36219 hours remaining, 206.707031 MB of memory in use. ENERGY: 2155600 741.5168 2080.2881 1926.5147 100.4981 -206195.3258 17694.2994 0.0000 0.0000 34175.9000 -149476.3087 298.4666 -183652.2087 -149382.7400 298.4523 -130.1688 -94.7109 557269.4137 9.1684 9.0858 PRESSURE: 2155800 -252.809 111.442 -0.502906 111.44 -471.516 2.43033 -0.503461 2.43179 -194.76 GPRESSURE: 2155800 -186.227 95.455 -4.77197 101.125 -493.863 -48.8357 -4.33527 26.4352 -142.984 PRESSAVG: 2155800 -50.5022 9.34423 -61.4971 9.34423 36.6048 36.6236 -61.4972 36.6235 31.4748 GPRESSAVG: 2155800 -50.1795 10.2115 -62.0838 8.93401 36.447 36.6345 -60.8321 39.1258 30.9256 TIMING: 2155800 CPU: 6417.29, 0.00298027/step Wall: 6417.29, 0.00298027/step, 2.35458 hours remaining, 206.707031 MB of memory in use. ENERGY: 2155800 746.4931 2062.0439 1946.9349 95.7479 -205991.8991 17481.6927 0.0000 0.0000 34125.3613 -149533.6252 298.0253 -183658.9865 -149431.9959 298.3492 -306.3614 -274.3579 557836.5633 5.8591 5.7310 PRESSURE: 2156000 53.0028 5.1022 17.0981 5.10232 -214.168 -13.0499 17.0972 -13.0504 73.4969 GPRESSURE: 2156000 48.3136 -84.1061 -33.7393 118.114 -157.608 -2.04455 86.3687 -40.8458 120.654 PRESSAVG: 2156000 9.43611 -24.0833 59.2222 -24.0833 -13.6939 42.1195 59.2223 42.1195 12.0761 GPRESSAVG: 2156000 8.78526 -24.6291 59.4574 -23.6108 -14.9046 41.1169 59.212 42.9711 14.1733 TIMING: 2156000 CPU: 6417.89, 0.00296616/step Wall: 6417.89, 0.00296616/step, 2.34327 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: 2156000 785.6711 2124.7864 1928.8827 122.5831 -206620.6641 17914.0353 0.0000 0.0000 34306.2711 -149438.4344 299.6052 -183744.7054 -149338.1669 298.5668 -29.2228 3.7865 556619.7339 2.6061 2.6846 PRESSURE: 2156200 -137.317 -86.4723 -92.6763 -86.4715 -27.7238 -39.897 -92.6756 -39.8979 -31.6046 GPRESSURE: 2156200 -82.8208 -109.954 -57.1867 -75.665 -14.1608 23.6101 -114.757 -52.3096 1.35957 PRESSAVG: 2156200 -9.8568 22.243 -45.9757 22.2431 -0.145195 24.5759 -45.9757 24.5758 68.7349 GPRESSAVG: 2156200 -10.3875 20.4172 -45.3596 24.476 1.12453 25.5551 -44.8091 23.9623 67.7185 TIMING: 2156200 CPU: 6418.48, 0.00297699/step Wall: 6418.48, 0.00297699/step, 2.35166 hours remaining, 206.707031 MB of memory in use. ENERGY: 2156200 756.8372 2120.8014 1956.7007 110.0201 -206155.4312 17598.9443 0.0000 0.0000 34258.2167 -149353.9107 299.1855 -183612.1274 -149261.0671 298.8331 -65.5486 -31.8740 557954.9227 19.5776 19.4852 LDB: ============= START OF LOAD BALANCING ============== 6421.91 LDB: ============== END OF LOAD BALANCING =============== 6421.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6421.91 LDB: ============= START OF LOAD BALANCING ============== 6422.21 LDB: Largest compute 4821 load 0.025713 is 21.8% of average load 0.118109 LDB: Average compute 0.001721 is 1.5% of average load 0.118109 LDB: TIME 6422.21 LOAD: AVG 0.118109 MAX 0.204121 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.066 MB LDB: TIME 6422.21 LOAD: AVG 0.118109 MAX 0.204121 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.27 MB LDB: TIME 6422.21 LOAD: AVG 0.118109 MAX 0.204121 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.27 MB LDB: ============== END OF LOAD BALANCING =============== 6422.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6422.22 PRESSURE: 2156400 -136.166 126.552 133.469 126.551 -291.674 -69.2076 133.47 -69.2066 -257.796 GPRESSURE: 2156400 -90.9705 74.7725 205.15 149.466 -249.854 -110.903 53.6952 -16.0041 -237.691 PRESSAVG: 2156400 -24.0155 12.3873 26.2642 12.3873 26.0805 -1.15634 26.2642 -1.15637 27.1183 GPRESSAVG: 2156400 -23.9804 15.3196 22.8532 9.46578 26.243 -0.948878 26.1942 -2.69914 27.0028 TIMING: 2156400 CPU: 6419.09, 0.00302917/step Wall: 6419.09, 0.00302917/step, 2.39271 hours remaining, 206.710938 MB of memory in use. ENERGY: 2156400 765.5936 2147.5831 1965.9764 118.5015 -205915.9357 17551.5613 0.0000 0.0000 34164.7351 -149201.9847 298.3691 -183366.7198 -149105.3442 298.7181 -228.5454 -192.8387 557804.0618 9.7278 9.7551 PRESSURE: 2156600 -358.029 4.74868 -35.5654 4.74938 -201.695 -6.70062 -35.5648 -6.7004 -55.0335 GPRESSURE: 2156600 -296.901 -49.4198 71.0865 -38.2976 -94.1552 42.0229 -33.4066 -25.5006 -135.17 PRESSAVG: 2156600 -44.0732 63.2066 17.0639 63.2065 33.2666 -29.2871 17.064 -29.2871 3.80168 GPRESSAVG: 2156600 -43.7571 59.3453 17.2756 66.7634 33.194 -30.8217 16.7937 -28.738 2.866 TIMING: 2156600 CPU: 6419.69, 0.00301211/step Wall: 6419.69, 0.00301211/step, 2.37907 hours remaining, 206.910156 MB of memory in use. ENERGY: 2156600 738.2208 2173.8572 1961.6340 114.8289 -205682.9805 17319.5660 0.0000 0.0000 34240.0294 -149134.8443 299.0267 -183374.8736 -149039.0775 299.6374 -204.9191 -175.4087 557305.9516 -2.3350 -2.5657 PRESSURE: 2156800 -322.054 -218.279 56.1532 -218.279 -57.7911 73.7527 56.1526 73.7544 30.0434 GPRESSURE: 2156800 -273.254 -260.489 -38.4755 -234.218 -53.4267 60.0642 52.5113 34.0074 65.6588 PRESSAVG: 2156800 26.8592 6.8654 -3.81868 6.8654 17.8634 -17.8444 -3.81858 -17.8443 15.6455 GPRESSAVG: 2156800 26.4503 8.67889 -1.28151 5.62862 16.0546 -17.6273 -5.50762 -17.5334 17.2937 TIMING: 2156800 CPU: 6420.29, 0.00301345/step Wall: 6420.29, 0.00301345/step, 2.37995 hours remaining, 206.910156 MB of memory in use. ENERGY: 2156800 759.5256 2126.0786 1966.2237 118.9608 -206168.8681 17702.7943 0.0000 0.0000 34350.3669 -149144.9182 299.9903 -183495.2852 -149038.1967 299.3141 -116.6005 -87.0071 557619.7405 20.1227 19.9329 PRESSURE: 2157000 -107.595 -82.5051 19.7052 -82.5055 5.99168 -37.2611 19.7056 -37.2608 15.2519 GPRESSURE: 2157000 -72.1134 -88.7548 -4.82581 -16.2853 -28.0504 31.3295 32.4356 -113.406 104.754 PRESSAVG: 2157000 -70.4211 -24.5886 12.5856 -24.5886 43.36 20.2822 12.5857 20.2823 -11.5916 GPRESSAVG: 2157000 -71.972 -23.1318 10.749 -26.6599 44.8004 21.9587 13.453 19.9855 -10.6962 TIMING: 2157000 CPU: 6420.9, 0.00301959/step Wall: 6420.9, 0.00301959/step, 2.38464 hours remaining, 206.910156 MB of memory in use. ENERGY: 2157000 749.0061 2092.4418 1953.4655 111.0293 -206071.9577 17677.5529 0.0000 0.0000 34283.6277 -149204.8345 299.4074 -183488.4621 -149108.3507 299.5059 -28.7836 1.5299 556671.0613 -12.8842 -12.6226 PRESSURE: 2157200 -372.949 52.5811 -117.983 52.5814 -339.95 -118.591 -117.984 -118.593 -201.424 GPRESSURE: 2157200 -365.004 109.638 50.8117 57.7262 -277.841 -143.449 -40.5897 -96.9646 -180.629 PRESSAVG: 2157200 -59.8864 7.56368 10.8008 7.56372 83.3375 19.6634 10.8008 19.6635 -7.287 GPRESSAVG: 2157200 -59.1409 7.62304 13.2986 7.64697 83.8807 18.8999 11.4571 18.5081 -8.90971 TIMING: 2157200 CPU: 6421.49, 0.00298741/step Wall: 6421.49, 0.00298741/step, 2.35906 hours remaining, 206.910156 MB of memory in use. ENERGY: 2157200 753.1864 2118.4936 1959.2393 104.5441 -205774.7119 17364.9551 0.0000 0.0000 34426.4514 -149047.8418 300.6548 -183474.2933 -148941.6885 299.4310 -304.7745 -274.4914 558481.9449 5.3880 5.2767 PRESSURE: 2157400 -202.098 -136.639 -35.6653 -136.638 53.1108 65.9146 -35.6658 65.9158 -193.034 GPRESSURE: 2157400 -149.62 -93.1624 0.287601 -142.59 28.228 16.2093 -17.7138 88.5407 -114.293 PRESSAVG: 2157400 17.4588 -1.84434 23.2954 -1.84444 -9.25835 23.1401 23.2954 23.1401 -52.6917 GPRESSAVG: 2157400 17.8211 -2.05769 22.8054 -1.70386 -10.6581 22.4494 21.57 24.1625 -51.7325 TIMING: 2157400 CPU: 6422.09, 0.00299253/step Wall: 6422.09, 0.00299253/step, 2.36293 hours remaining, 206.910156 MB of memory in use. ENERGY: 2157400 757.3340 2126.4474 1952.2141 112.5453 -205755.0160 17603.8493 0.0000 0.0000 34243.9160 -148958.7099 299.0606 -183202.6259 -148864.5848 299.5614 -114.0071 -78.5615 557839.0471 -14.8304 -14.8565 PRESSURE: 2157600 -144.87 96.9427 -147.731 96.9415 95.1198 42.0813 -147.73 42.0816 -82.3403 GPRESSURE: 2157600 -65.5089 193.044 -49.5316 91.7717 94.1146 26.0259 -115.522 52.5511 -83.2676 PRESSAVG: 2157600 -52.8542 52.1858 -10.7763 52.1858 58.312 14.9983 -10.7763 14.9984 -4.30218 GPRESSAVG: 2157600 -52.955 54.0589 -11.6174 50.7835 59.8809 14.2322 -8.8457 15.3571 -6.3172 TIMING: 2157600 CPU: 6422.69, 0.00298913/step Wall: 6422.69, 0.00298913/step, 2.36009 hours remaining, 206.910156 MB of memory in use. ENERGY: 2157600 763.2193 2071.1866 1936.4029 111.4285 -205740.2218 17619.1843 0.0000 0.0000 34345.1352 -148893.6650 299.9446 -183238.8002 -148801.0070 300.2774 -44.0302 -18.2207 558192.4064 0.3852 0.2029 PRESSURE: 2157800 44.975 68.6794 -109.165 68.6799 14.7755 87.2986 -109.165 87.2977 115.996 GPRESSURE: 2157800 64.6901 34.371 -120.597 32.7984 138.846 93.001 -98.5126 72.2715 61.3279 PRESSAVG: 2157800 -56.2622 5.21762 -2.37742 5.21751 47.813 35.7527 -2.37745 35.7526 26.7823 GPRESSAVG: 2157800 -56.816 4.19803 -3.48675 6.93341 47.5452 35.6264 -2.38772 37.7015 27.2121 TIMING: 2157800 CPU: 6423.29, 0.00298263/step Wall: 6423.29, 0.00298263/step, 2.35479 hours remaining, 206.910156 MB of memory in use. ENERGY: 2157800 765.3466 2076.6248 1954.4501 110.4209 -206129.3880 17984.0173 0.0000 0.0000 34399.3666 -148839.1616 300.4182 -183238.5283 -148742.2568 300.3969 58.5820 88.2880 557059.2769 6.1110 5.9804 PRESSURE: 2158000 -106.235 150.199 -101.752 150.199 -137.067 -1.06967 -101.753 -1.06943 2.9685 GPRESSURE: 2158000 -65.5277 120.264 -86.4239 105.056 -75.627 -0.111216 -130.334 -29.154 -5.11464 PRESSAVG: 2158000 -26.7235 -66.0222 -29.8672 -66.0221 29.0809 49.1588 -29.8671 49.1588 7.2853 GPRESSAVG: 2158000 -26.3069 -66.9405 -27.2387 -67.1214 29.0816 50.5219 -31.7583 45.4291 6.55532 TIMING: 2158000 CPU: 6423.89, 0.00300532/step Wall: 6423.89, 0.00300532/step, 2.37253 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: 2158000 809.6614 2143.7739 1932.7295 105.9819 -206037.5453 17839.2657 0.0000 0.0000 34203.5623 -149002.5707 298.7082 -183206.1330 -148910.0785 299.7829 -80.1112 -48.7564 559067.9182 3.2142 3.1100 PRESSURE: 2158200 -67.7391 -154.239 -1.11137 -154.238 152.944 26.538 -1.11134 26.5391 188.156 GPRESSURE: 2158200 -42.4534 -159.126 -65.0791 -66.9597 213.19 6.60391 51.5428 2.44879 197.923 PRESSAVG: 2158200 40.3004 -20.1358 -18.3445 -20.1358 -38.4667 19.8123 -18.3444 19.8122 17.1506 GPRESSAVG: 2158200 40.9695 -18.4868 -19.7717 -19.9388 -37.7276 18.5937 -17.2916 20.7214 16.2121 TIMING: 2158200 CPU: 6424.48, 0.00297916/step Wall: 6424.48, 0.00297916/step, 2.35171 hours remaining, 206.910156 MB of memory in use. ENERGY: 2158200 761.9659 2138.0029 1919.3117 129.3700 -206381.5631 18203.6748 0.0000 0.0000 34185.6303 -149043.6075 298.5516 -183229.2378 -148945.5994 299.7092 91.1206 122.8866 559199.6780 6.3281 6.4847 PRESSURE: 2158400 -119.187 -187.839 -63.8935 -187.837 -272.703 -24.4346 -63.8938 -24.4341 -301.845 GPRESSURE: 2158400 -115.774 -179.111 -49.4598 -156.995 -172.896 14.9737 -15.3017 -37.5799 -291.935 PRESSAVG: 2158400 -34.88 -35.5374 -46.9135 -35.5374 29.4375 30.2624 -46.9135 30.2623 37.3822 GPRESSAVG: 2158400 -34.668 -36.4169 -44.2609 -34.3339 29.4632 30.3812 -46.8055 31.5956 38.3618 TIMING: 2158400 CPU: 6425.08, 0.00297091/step Wall: 6425.08, 0.00297091/step, 2.34504 hours remaining, 206.910156 MB of memory in use. ENERGY: 2158400 747.1947 2095.7886 1979.9928 124.7613 -206028.1574 17649.4752 0.0000 0.0000 34253.5666 -149177.3782 299.1449 -183430.9448 -149085.7576 299.3021 -231.2451 -193.5350 559306.3621 10.6466 11.0523 PRESSURE: 2158600 -97.306 -0.187755 -36.9477 -0.187105 -40.0822 -34.753 -36.9473 -34.753 123.957 GPRESSURE: 2158600 -19.7347 -20.0099 -27.4935 -27.6127 -30.2729 -107.594 2.06847 -28.8963 138.697 PRESSAVG: 2158600 -18.4733 -38.2671 -66.4239 -38.267 10.5996 -3.59372 -66.4238 -3.59368 21.5378 GPRESSAVG: 2158600 -18.0517 -37.6629 -68.3698 -38.2045 10.5909 -4.37867 -66.0837 -2.17252 21.3485 TIMING: 2158600 CPU: 6425.67, 0.00295981/step Wall: 6425.67, 0.00295981/step, 2.33611 hours remaining, 206.910156 MB of memory in use. ENERGY: 2158600 750.7272 2069.1140 1951.0336 123.6842 -206230.2013 17867.8881 0.0000 0.0000 34237.4821 -149230.2722 299.0044 -183467.7543 -149132.4577 299.5228 -4.4770 29.5630 557780.2821 4.5547 4.6292 PRESSURE: 2158800 -156.379 38.7406 -49.2041 38.74 -111.868 -61.5495 -49.2038 -61.5505 -144.831 GPRESSURE: 2158800 -123.061 -1.28657 -9.12559 99.0799 -86.5543 77.1358 -8.81906 -98.6121 -115.339 PRESSAVG: 2158800 -89.9275 -76.431 0.904763 -76.4309 42.7215 32.8094 0.904778 32.8094 60.1746 GPRESSAVG: 2158800 -89.8348 -79.3073 1.15304 -73.9164 42.5113 35.4829 0.349051 30.0377 60.5218 TIMING: 2158800 CPU: 6426.26, 0.00297237/step Wall: 6426.26, 0.00297237/step, 2.34586 hours remaining, 206.910156 MB of memory in use. ENERGY: 2158800 722.3206 2094.7767 1969.0460 117.8148 -205907.7766 17567.3320 0.0000 0.0000 34284.8157 -149151.6707 299.4178 -183436.4864 -149053.7877 299.4078 -137.6928 -108.3180 557393.6628 4.3228 4.3994 PRESSURE: 2159000 -103.406 -29.4006 117.187 -29.4012 57.2304 199.275 117.185 199.272 -35.7932 GPRESSURE: 2159000 -27.4675 -21.6134 157.508 3.43446 58.9438 217.416 129.214 118.773 -31.6316 PRESSAVG: 2159000 -32.0193 -48.0111 -8.63067 -48.011 47.5554 38.407 -8.63065 38.407 34.8155 GPRESSAVG: 2159000 -32.5459 -47.8296 -10.954 -48.7064 48.3431 36.4632 -7.20604 37.9099 35.1074 TIMING: 2159000 CPU: 6426.86, 0.00297373/step Wall: 6426.86, 0.00297373/step, 2.34677 hours remaining, 206.910156 MB of memory in use. ENERGY: 2159000 700.6566 2062.0532 1920.6912 117.2646 -205784.2056 17540.2548 0.0000 0.0000 34490.0916 -148953.1935 301.2105 -183443.2851 -148851.2338 299.9790 -27.3230 -0.0518 557012.6192 16.7839 16.9682 PRESSURE: 2159200 -125.089 -44.599 190.216 -44.5994 -27.0521 -13.4875 190.217 -13.4886 -229.038 GPRESSURE: 2159200 -149.905 -2.24954 162.677 -86.502 20.1025 21.666 87.0713 20.5163 -149.706 PRESSAVG: 2159200 -83.7103 2.84076 2.707 2.84073 19.442 -14.2638 2.70696 -14.2638 50.04 GPRESSAVG: 2159200 -84.8578 4.07938 5.86248 0.834861 19.4192 -14.5943 -0.378764 -11.7384 50.8042 TIMING: 2159200 CPU: 6427.45, 0.00296523/step Wall: 6427.45, 0.00296523/step, 2.3399 hours remaining, 206.910156 MB of memory in use. ENERGY: 2159200 782.8310 2081.5415 1909.2111 117.6559 -205581.9294 17464.5439 0.0000 0.0000 34224.4006 -149001.7455 298.8902 -183226.1461 -148904.3817 300.0097 -127.0596 -93.1695 556460.0570 -4.7428 -4.8781 PRESSURE: 2159400 -421.497 -128.972 -25.9354 -128.973 222.607 -113.044 -25.9357 -113.045 32.8753 GPRESSURE: 2159400 -309.512 -152.009 14.8633 -104.913 176.51 -48.851 -61.2676 -179.7 77.3886 PRESSAVG: 2159400 -29.6684 -73.7772 37.1319 -73.7773 56.6948 34.1816 37.1318 34.1817 -3.12704 GPRESSAVG: 2159400 -27.7734 -73.7626 33.4705 -73.507 55.3416 34.0593 39.2134 34.2211 -3.41249 TIMING: 2159400 CPU: 6428.05, 0.00297369/step Wall: 6428.05, 0.00297369/step, 2.3464 hours remaining, 206.910156 MB of memory in use. ENERGY: 2159400 758.2595 2030.6874 1939.0175 102.9904 -205851.0518 17617.5351 0.0000 0.0000 34570.9456 -148831.6163 301.9167 -183402.5619 -148735.8070 300.1869 -55.3381 -18.5380 557842.3139 7.9665 8.0519 PRESSURE: 2159600 32.9532 -78.5717 -66.7465 -78.5722 -315.711 -85.3558 -66.7476 -85.3554 -168.013 GPRESSURE: 2159600 103.369 -92.9728 -126.822 -53.0212 -273.209 -122.364 -86.6974 -17.5729 -174.536 PRESSAVG: 2159600 10.3435 -53.4099 -9.01647 -53.41 25.0983 49.4708 -9.01642 49.4708 4.74251 GPRESSAVG: 2159600 10.2902 -52.9222 -7.4291 -54.8339 25.6211 49.6493 -7.74315 47.9076 4.52773 TIMING: 2159600 CPU: 6428.64, 0.00297782/step Wall: 6428.64, 0.00297782/step, 2.3495 hours remaining, 206.910156 MB of memory in use. ENERGY: 2159600 721.6795 2089.1081 1926.8019 111.5019 -205362.0284 17507.7420 0.0000 0.0000 34233.5296 -148771.6654 298.9699 -183005.1950 -148681.5835 300.5112 -150.2571 -114.7922 556947.4064 13.3948 13.4797 PRESSURE: 2159800 264.605 -65.7003 24.0355 -65.6998 -13.3574 197.094 24.0356 197.094 -179.022 GPRESSURE: 2159800 257.283 -49.7725 -2.90786 -138.145 13.2136 180.692 -16.2046 184.009 -110.903 PRESSAVG: 2159800 48.7411 -29.9868 -33.2688 -29.9867 17.2447 18.3036 -33.2686 18.3035 -56.1654 GPRESSAVG: 2159800 48.1387 -30.5515 -32.7996 -30.3699 17.314 18.5296 -35.5594 19.1339 -56.2553 TIMING: 2159800 CPU: 6429.23, 0.00295601/step Wall: 6429.23, 0.00295601/step, 2.33212 hours remaining, 206.910156 MB of memory in use. ENERGY: 2159800 752.9868 2090.1767 1945.5267 109.6854 -205651.8657 17654.3318 0.0000 0.0000 34322.6763 -148776.4820 299.7485 -183099.1583 -148685.7478 299.7572 24.0752 53.1981 556256.8988 3.2735 3.0658 PRESSURE: 2160000 -65.3565 140.132 151.042 140.133 -38.0925 86.4722 151.044 86.472 -252.532 GPRESSURE: 2160000 -0.289485 85.4889 213.218 98.6096 -65.525 67.3137 96.1773 89.1587 -184.497 PRESSAVG: 2160000 -9.32382 -13.1931 17.4324 -13.1931 17.5137 12.8658 17.4324 12.8657 -10.9199 GPRESSAVG: 2160000 -8.34849 -12.6099 18.2481 -10.604 16.817 13.4725 18.038 10.6353 -11.3741 TIMING: 2160000 CPU: 6429.83, 0.00297131/step Wall: 6429.83, 0.00297131/step, 2.34403 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: 2160000 737.1880 2069.3181 1935.0400 105.3150 -205582.7493 17409.2004 0.0000 0.0000 34602.9220 -148723.7659 302.1959 -183326.6879 -148620.4103 300.4819 -118.6602 -83.4371 558150.2122 -0.9100 -0.9685 PRESSURE: 2160200 -332.806 24.5129 -55.8404 24.5107 -105.271 48.1417 -55.8405 48.1433 -306.335 GPRESSURE: 2160200 -313.663 45.0137 -100.747 -0.317438 -61.5722 -31.1718 -79.3175 70.0366 -262.32 PRESSAVG: 2160200 -8.79363 -4.475 -35.085 -4.475 5.65594 2.18961 -35.085 2.18972 16.335 GPRESSAVG: 2160200 -9.63249 -3.90124 -35.3082 -6.19528 5.88412 1.89021 -34.4636 4.37027 17.4718 TIMING: 2160200 CPU: 6430.42, 0.00296912/step Wall: 6430.42, 0.00296912/step, 2.34214 hours remaining, 206.910156 MB of memory in use. ENERGY: 2160200 742.1438 2125.0708 1920.4036 109.7417 -205430.2659 17420.5144 0.0000 0.0000 34347.2366 -148765.1550 299.9630 -183112.3916 -148665.1998 299.9263 -248.1374 -212.5184 557843.4162 4.3991 4.5745 LDB: ============= START OF LOAD BALANCING ============== 6433.85 LDB: ============== END OF LOAD BALANCING =============== 6433.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6433.85 LDB: ============= START OF LOAD BALANCING ============== 6434.15 LDB: Largest compute 4821 load 0.027687 is 23.5% of average load 0.118061 LDB: Average compute 0.001715 is 1.5% of average load 0.118061 LDB: TIME 6434.15 LOAD: AVG 0.118061 MAX 0.205483 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.918 MB LDB: TIME 6434.15 LOAD: AVG 0.118061 MAX 0.205483 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 6434.15 LOAD: AVG 0.118061 MAX 0.205483 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6434.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6434.16 PRESSURE: 2160400 45.53 26.1743 -101.038 26.1752 -63.003 1.94231 -101.039 1.94103 -148.688 GPRESSURE: 2160400 25.9093 104.057 -83.411 -89.3464 -9.43637 100.173 -109.825 -33.7442 -68.5255 PRESSAVG: 2160400 -5.26515 -5.13305 -18.7159 -5.13302 8.94102 29.9986 -18.7159 29.9986 -31.922 GPRESSAVG: 2160400 -4.7224 -6.40083 -18.3658 -4.56254 9.52042 31.6337 -20.7683 28.8243 -33.009 TIMING: 2160400 CPU: 6431.03, 0.00304948/step Wall: 6431.03, 0.00304948/step, 2.40536 hours remaining, 206.453125 MB of memory in use. ENERGY: 2160400 724.6014 2117.2530 1938.9313 106.2856 -205579.8172 17764.3104 0.0000 0.0000 34183.9913 -148744.4443 298.5373 -182928.4356 -148652.0133 299.9367 -55.3870 -17.3509 558667.7498 -9.4154 -9.4037 PRESSURE: 2160600 -309.796 101.041 -26.751 101.042 -91.2782 -60.726 -26.7497 -60.7253 -210.312 GPRESSURE: 2160600 -268.367 101.55 -90.9995 102.314 -70.1073 -43.8261 11.9321 -26.9893 -175.78 PRESSAVG: 2160600 -39.7032 49.8373 -42.4859 49.8373 33.7273 49.6731 -42.4859 49.6732 4.65388 GPRESSAVG: 2160600 -40.7467 50.848 -43.7733 49.7772 32.6978 50.1621 -40.881 49.6063 6.95768 TIMING: 2160600 CPU: 6431.63, 0.00298539/step Wall: 6431.63, 0.00298539/step, 2.35464 hours remaining, 206.656250 MB of memory in use. ENERGY: 2160600 732.6239 2060.2998 1948.7746 119.3819 -205440.3134 17453.3159 0.0000 0.0000 34366.9514 -148758.9659 300.1351 -183125.9173 -148661.7791 300.1734 -203.7954 -171.4182 560079.8005 -0.4407 -0.3637 PRESSURE: 2160800 -62.6881 -139.073 -145.285 -139.072 -200.854 33.3446 -145.285 33.3441 251.26 GPRESSURE: 2160800 -17.6487 -115.478 -150.545 -65.7476 -163.081 8.83773 -61.751 30.3144 261.178 PRESSAVG: 2160800 19.2248 -19.1828 -13.1639 -19.1828 15.4607 3.85093 -13.1637 3.85098 3.90501 GPRESSAVG: 2160800 18.4805 -18.3161 -14.0004 -19.9731 18.0739 1.63246 -12.4656 4.91531 2.63886 TIMING: 2160800 CPU: 6432.23, 0.00300041/step Wall: 6432.23, 0.00300041/step, 2.36632 hours remaining, 206.656250 MB of memory in use. ENERGY: 2160800 723.7864 2089.1491 1969.1015 110.6166 -205908.8639 17764.0245 0.0000 0.0000 34485.4433 -148766.7425 301.1700 -183252.1858 -148662.0810 299.4048 -4.0938 26.8159 557447.6252 12.8635 13.0644 PRESSURE: 2161000 87.4737 13.7633 -9.97882 13.7625 39.7006 -106.312 -9.97808 -106.311 62.6358 GPRESSURE: 2161000 120.732 -51.1792 -75.5188 67.5847 106.119 -88.0561 8.48355 -54.4262 58.6077 PRESSAVG: 2161000 -31.502 50.8548 -8.42435 50.8547 -28.8731 -29.7831 -8.42433 -29.7832 56.6332 GPRESSAVG: 2161000 -29.2078 49.9764 -7.34188 52.4115 -30.8523 -28.7057 -7.77498 -31.2032 56.2319 TIMING: 2161000 CPU: 6432.83, 0.00300277/step Wall: 6432.83, 0.00300277/step, 2.36802 hours remaining, 206.656250 MB of memory in use. ENERGY: 2161000 729.2316 2057.1328 1935.7101 101.9603 -206114.7229 17803.2119 0.0000 0.0000 34599.3796 -148888.0964 302.1650 -183487.4760 -148788.1496 300.3735 63.2700 95.1527 558022.8253 -1.2473 -1.2761 PRESSURE: 2161200 113.991 -105.878 -48.2496 -105.878 138.134 -66.595 -48.2491 -66.5934 49.1426 GPRESSURE: 2161200 126.506 -88.3534 -73.1926 -140.487 216.326 -118.792 -26.2528 -74.4482 67.3192 PRESSAVG: 2161200 -60.2926 -11.5774 27.8803 -11.5774 22.6022 7.38206 27.8803 7.38208 44.5467 GPRESSAVG: 2161200 -61.9406 -10.9592 28.7736 -13.3957 23.3828 5.72833 27.2731 9.23654 44.7052 TIMING: 2161200 CPU: 6433.43, 0.00301666/step Wall: 6433.43, 0.00301666/step, 2.3788 hours remaining, 206.656250 MB of memory in use. ENERGY: 2161200 741.4881 2089.1627 1923.7694 103.5956 -206082.7762 17993.1841 0.0000 0.0000 34374.2241 -148857.3521 300.1986 -183231.5762 -148765.6516 299.8602 100.4225 136.7169 556752.6274 2.2854 2.0491 PRESSURE: 2161400 -8.72368 56.8138 -257.065 56.8147 132.097 133.402 -257.065 133.402 14.4221 GPRESSURE: 2161400 -52.1774 7.71357 -221.714 94.1138 241.06 57.2815 -201.891 132.443 49.2234 PRESSAVG: 2161400 10.0005 -22.9071 -2.92016 -22.9071 -34.4543 9.34273 -2.92013 9.34275 6.82925 GPRESSAVG: 2161400 10.0679 -24.5037 -2.66618 -20.0651 -34.4503 10.8719 -5.78516 8.97933 6.95203 TIMING: 2161400 CPU: 6434.03, 0.00299075/step Wall: 6434.03, 0.00299075/step, 2.35821 hours remaining, 206.656250 MB of memory in use. ENERGY: 2161400 760.3132 2050.8787 1934.6912 99.3217 -206034.0025 17815.9952 0.0000 0.0000 34539.1990 -148833.6035 301.6394 -183372.8025 -148740.9294 300.4447 45.9320 79.3688 558103.5426 -5.8749 -5.8101 PRESSURE: 2161600 164.165 -32.256 53.4472 -32.2577 -35.0671 -65.9877 53.4463 -65.9881 -99.0485 GPRESSURE: 2161600 209.101 4.40647 -53.4839 -89.0752 -35.561 -112.325 151.487 -19.3223 -39.7552 PRESSAVG: 2161600 -7.23662 29.8296 39.9114 29.8296 46.8221 22.0689 39.9113 22.0688 -45.38 GPRESSAVG: 2161600 -7.00231 32.6452 39.4484 26.1281 46.4247 21.7709 41.0032 21.6477 -45.2875 TIMING: 2161600 CPU: 6434.63, 0.00297965/step Wall: 6434.63, 0.00297965/step, 2.34929 hours remaining, 206.656250 MB of memory in use. ENERGY: 2161600 756.0537 2081.6776 1924.5624 107.2508 -205581.3676 17545.3043 0.0000 0.0000 34336.6420 -148829.8769 299.8704 -183166.5189 -148731.1941 300.0343 10.0163 44.5949 556750.6406 -1.9315 -1.9550 PRESSURE: 2161800 -109.93 -13.2579 46.6431 -13.2571 30.3496 -118.981 46.643 -118.981 138.058 GPRESSURE: 2161800 -72.8713 -37.1757 21.2825 -43.1259 38.466 -88.1081 34.04 -128.876 183.525 PRESSAVG: 2161800 -20.6394 17.7932 -3.02064 17.7931 67.8553 -22.1337 -3.02075 -22.1337 -14.5485 GPRESSAVG: 2161800 -20.4086 15.031 -2.15193 19.7493 68.4102 -23.6856 -4.62958 -20.057 -15.2883 TIMING: 2161800 CPU: 6435.22, 0.00299292/step Wall: 6435.22, 0.00299292/step, 2.35958 hours remaining, 206.656250 MB of memory in use. ENERGY: 2161800 764.2774 2102.9302 1924.9446 122.1854 -205891.5490 17652.2208 0.0000 0.0000 34442.7723 -148882.2182 300.7973 -183324.9906 -148784.9991 299.4407 19.4925 49.7065 556919.8986 10.8891 10.9044 PRESSURE: 2162000 83.9901 78.034 -68.6904 78.0328 32.0821 29.8835 -68.6906 29.8836 -120.753 GPRESSURE: 2162000 97.8396 52.3026 -51.2552 147.561 65.9314 -65.3675 -132.535 60.0555 -68.0006 PRESSAVG: 2162000 -17.0871 23.569 16.9492 23.569 45.7728 8.6367 16.9492 8.6367 -8.62985 GPRESSAVG: 2162000 -16.6711 25.7052 15.2083 24.7781 45.2422 11.1444 17.4585 6.0671 -8.23714 TIMING: 2162000 CPU: 6435.82, 0.00297905/step Wall: 6435.82, 0.00297905/step, 2.34848 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: 2162000 758.0842 2118.4563 1930.5847 112.4303 -206064.3294 17759.9111 0.0000 0.0000 34230.9867 -149153.8760 298.9477 -183384.8628 -149058.8809 299.7650 -1.5603 31.9235 557326.5812 6.6853 6.7780 PRESSURE: 2162200 -27.2805 4.73839 40.4434 4.73928 -195.651 -63.5161 40.4439 -63.516 -230.842 GPRESSURE: 2162200 18.3115 -27.5563 77.9699 23.4644 -195.222 -68.5921 14.9211 -110.19 -171.553 PRESSAVG: 2162200 -7.43394 21.5715 10.445 21.5714 14.6462 -5.22188 10.445 -5.22189 -3.67418 GPRESSAVG: 2162200 -7.2667 21.2111 9.14917 20.3326 14.8107 -4.9612 12.4347 -3.47773 -4.12643 TIMING: 2162200 CPU: 6436.42, 0.00301409/step Wall: 6436.42, 0.00301409/step, 2.37594 hours remaining, 206.656250 MB of memory in use. ENERGY: 2162200 757.8215 2116.6844 1923.0795 117.8025 -205843.8200 17451.5864 0.0000 0.0000 34460.9130 -149015.9327 300.9557 -183476.8458 -148920.1024 299.8706 -151.2575 -116.1544 557925.0082 1.1794 1.1392 PRESSURE: 2162400 -31.681 118.954 50.9596 118.953 -113.157 133.733 50.958 133.735 -1.36569 GPRESSURE: 2162400 23.5378 166.38 74.7047 76.7979 -96.7118 148.772 58.1101 104.452 10.5774 PRESSAVG: 2162400 -37.4391 21.2742 26.2461 21.2743 -0.0754414 -15.5293 26.246 -15.5293 111.373 GPRESSAVG: 2162400 -36.5216 19.7155 27.2461 21.4992 -0.529929 -16.3906 24.0892 -16.1895 110.79 TIMING: 2162400 CPU: 6437.02, 0.00299029/step Wall: 6437.02, 0.00299029/step, 2.35701 hours remaining, 206.656250 MB of memory in use. ENERGY: 2162400 752.9385 2095.7055 1940.9311 113.4048 -206450.7142 18056.6294 0.0000 0.0000 34412.6673 -149078.4377 300.5344 -183491.1049 -148984.0029 299.7007 -48.7346 -20.8656 557282.9940 24.6196 24.5796 PRESSURE: 2162600 10.2378 -146.643 -32.427 -146.641 -304.122 -134.436 -32.4267 -134.435 148.303 GPRESSURE: 2162600 82.2961 -128.223 -69.0184 -201.665 -313.219 -170.191 -12.6995 -61.9929 170.175 PRESSAVG: 2162600 44.1875 -35.3304 18.1591 -35.3305 -68.4408 16.6461 18.1592 16.6461 33.9961 GPRESSAVG: 2162600 42.7479 -32.4541 18.3185 -35.9603 -67.9178 15.4003 21.0457 17.5164 34.8629 TIMING: 2162600 CPU: 6437.61, 0.00295693/step Wall: 6437.61, 0.00295693/step, 2.33056 hours remaining, 206.656250 MB of memory in use. ENERGY: 2162600 745.8933 2058.8041 1943.1253 123.5324 -205911.0109 17643.8946 0.0000 0.0000 34291.4840 -149104.2773 299.4761 -183395.7613 -149006.4742 299.9557 -48.5273 -20.2491 557968.2742 3.2476 3.2310 PRESSURE: 2162800 -111.936 -101.533 -133.402 -101.532 -100.115 235.781 -133.401 235.781 -61.8098 GPRESSURE: 2162800 -102.59 -103.105 -184.214 -117.445 -19.4373 192.728 -88.6192 180.022 -39.1915 PRESSAVG: 2162800 17.2324 -33.008 35.408 -33.0079 66.101 -7.00776 35.408 -7.00784 -43.161 GPRESSAVG: 2162800 17.3317 -33.5734 35.7344 -35.021 65.4065 -7.36467 34.1979 -8.07431 -42.8766 TIMING: 2162800 CPU: 6438.21, 0.00297576/step Wall: 6438.21, 0.00297576/step, 2.34523 hours remaining, 206.656250 MB of memory in use. ENERGY: 2162800 769.3214 2107.6322 1925.8394 100.8787 -206126.2644 17712.7569 0.0000 0.0000 34577.2229 -148932.6129 301.9715 -183509.8357 -148828.1808 300.0991 -91.2869 -53.7395 556656.0609 13.3908 13.2872 PRESSURE: 2163000 -4.18595 -37.6157 86.2955 -37.6157 134.305 91.6548 86.2942 91.6546 94.4718 GPRESSURE: 2163000 8.778 44.9109 44.345 -147.65 193.975 99.3763 194.548 11.9631 118.569 PRESSAVG: 2163000 -25.8562 -11.8898 5.18409 -11.8898 74.1444 32.1297 5.18417 32.1297 -70.1977 GPRESSAVG: 2163000 -24.8996 -11.9171 6.23397 -10.0147 73.4848 33.0116 5.14468 31.3013 -70.0457 TIMING: 2163000 CPU: 6438.81, 0.00299432/step Wall: 6438.81, 0.00299432/step, 2.35969 hours remaining, 206.656250 MB of memory in use. ENERGY: 2163000 735.9733 2121.8406 1909.1676 121.1529 -206054.6663 17823.6683 0.0000 0.0000 34409.4668 -148933.3968 300.5064 -183342.8636 -148834.9708 299.9381 74.8636 107.1076 557833.3476 -7.3032 -7.1535 PRESSURE: 2163200 -140.421 110.431 -68.0844 110.431 -3.69575 70.3848 -68.0842 70.3848 -14.163 GPRESSURE: 2163200 -42.1582 154.976 -97.8569 110.933 -31.1133 58.2941 -26.4924 89.9362 17.5435 PRESSAVG: 2163200 18.6153 -12.4357 35.9074 -12.4357 -4.43568 -20.759 35.9074 -20.759 -20.716 GPRESSAVG: 2163200 19.0627 -10.5722 36.0422 -14.8185 -5.00089 -18.7146 35.2098 -21.6413 -20.3206 TIMING: 2163200 CPU: 6439.4, 0.00298955/step Wall: 6439.4, 0.00298955/step, 2.35577 hours remaining, 206.656250 MB of memory in use. ENERGY: 2163200 728.5337 2141.9257 1902.9527 111.0677 -205676.8206 17498.0686 0.0000 0.0000 34503.6567 -148790.6155 301.3290 -183294.2723 -148686.2801 299.7868 -52.7598 -18.5760 558761.1772 -2.1788 -2.0863 PRESSURE: 2163400 -62.6844 67.9382 59.8218 67.9389 66.4143 81.8722 59.8226 81.8718 165.062 GPRESSURE: 2163400 22.6713 -40.7575 37.8259 93.1334 97.4401 131.869 92.153 78.526 142.822 PRESSAVG: 2163400 -15.3466 28.0191 10.2845 28.0192 49.0344 -24.3422 10.2844 -24.342 -30.4669 GPRESSAVG: 2163400 -16.4537 26.1922 9.67332 30.341 49.1526 -26.6922 10.8065 -22.7483 -30.1194 TIMING: 2163400 CPU: 6440.01, 0.00301176/step Wall: 6440.01, 0.00301176/step, 2.3731 hours remaining, 206.656250 MB of memory in use. ENERGY: 2163400 743.5604 2163.6865 1942.8423 106.4923 -205982.8670 17842.1033 0.0000 0.0000 34448.3297 -148735.8524 300.8458 -183184.1822 -148639.9978 300.7775 56.2638 87.6445 558756.3636 1.0736 0.8598 PRESSURE: 2163600 -108.498 36.5471 37.7893 36.5468 35.3501 -39.2555 37.789 -39.2543 27.6327 GPRESSURE: 2163600 -124.911 60.4828 -85.237 76.8848 150.56 -60.9312 127.163 -34.1389 29.3776 PRESSAVG: 2163600 41.6159 -22.4473 6.22939 -22.4473 -10.0866 24.9978 6.22946 24.9977 -27.7706 GPRESSAVG: 2163600 42.1998 -23.8221 7.44223 -23.0639 -8.37147 25.2273 5.35064 25.0414 -29.243 TIMING: 2163600 CPU: 6440.61, 0.0030127/step Wall: 6440.61, 0.0030127/step, 2.37367 hours remaining, 206.656250 MB of memory in use. ENERGY: 2163600 742.7419 2127.3870 1934.5679 112.9439 -205863.4107 17779.4779 0.0000 0.0000 34340.7535 -148825.5387 299.9063 -183166.2922 -148728.9764 301.0020 -15.1718 18.3424 560188.0519 1.2529 1.5284 PRESSURE: 2163800 -92.9747 -66.3902 -27.1072 -66.3894 51.9608 108.078 -27.1068 108.078 1.05272 GPRESSURE: 2163800 -40.1908 -50.0875 -82.4289 -103.094 42.2359 236.275 -7.19152 44.2967 56.8904 PRESSAVG: 2163800 -32.4312 -14.4642 14.3868 -14.4643 34.4156 -19.3672 14.3868 -19.3672 43.7049 GPRESSAVG: 2163800 -34.231 -14.9989 14.4463 -13.3988 33.7132 -18.5922 12.2447 -20.5477 45.8682 TIMING: 2163800 CPU: 6441.21, 0.00300189/step Wall: 6441.21, 0.00300189/step, 2.36499 hours remaining, 206.656250 MB of memory in use. ENERGY: 2163800 718.8355 2111.9012 1941.7616 123.0512 -206026.8615 17859.4048 0.0000 0.0000 34291.5746 -148980.3327 299.4769 -183271.9073 -148876.7982 300.4070 -13.3204 19.6452 559412.5878 15.2298 15.1168 PRESSURE: 2164000 -69.3854 -0.301828 290.285 -0.301761 5.8277 147.193 290.286 147.193 -126.95 GPRESSURE: 2164000 -57.8905 53.3703 424.377 -28.0885 48.2509 229.026 229.4 35.585 -87.0897 PRESSAVG: 2164000 16.3384 12.5186 53.333 12.5186 13.2483 -20.8406 53.3332 -20.8405 -8.49583 GPRESSAVG: 2164000 17.4188 13.9685 51.5385 10.7162 13.0389 -21.4182 55.8972 -19.713 -9.80772 TIMING: 2164000 CPU: 6441.81, 0.00298954/step Wall: 6441.81, 0.00298954/step, 2.35509 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: 2164000 757.2196 2099.9289 1916.8579 113.9670 -206357.5060 17811.7820 0.0000 0.0000 34396.7813 -149260.9692 300.3956 -183657.7505 -149160.5656 299.4872 -63.5026 -32.2431 558304.1989 7.0303 6.8833 PRESSURE: 2164200 -169.848 -134.15 45.8646 -134.15 -95.4158 82.401 45.8651 82.4002 -207.956 GPRESSURE: 2164200 -144.889 -233.756 42.1727 -77.9847 -102.265 24.1784 9.17295 158.227 -120.165 PRESSAVG: 2164200 -3.41934 -8.58903 39.6167 -8.58903 0.0716752 -28.6478 39.6168 -28.6479 -7.3528 GPRESSAVG: 2164200 -3.78293 -9.31297 40.7425 -8.0235 -0.328153 -30.2761 39.2058 -26.8379 -6.90427 TIMING: 2164200 CPU: 6442.41, 0.00298963/step Wall: 6442.41, 0.00298963/step, 2.355 hours remaining, 206.656250 MB of memory in use. ENERGY: 2164200 733.5402 2052.1271 1931.4421 101.2133 -205797.4728 17558.0262 0.0000 0.0000 34207.0643 -149214.0596 298.7388 -183421.1239 -149119.0178 299.3164 -157.7398 -122.4395 559762.0709 -3.5668 -3.6718 LDB: ============= START OF LOAD BALANCING ============== 6445.84 LDB: ============== END OF LOAD BALANCING =============== 6445.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6445.84 LDB: ============= START OF LOAD BALANCING ============== 6446.14 LDB: Largest compute 4821 load 0.028291 is 24.0% of average load 0.118032 LDB: Average compute 0.001715 is 1.5% of average load 0.118032 LDB: TIME 6446.14 LOAD: AVG 0.118032 MAX 0.20483 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 6446.14 LOAD: AVG 0.118032 MAX 0.20483 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 6446.14 LOAD: AVG 0.118032 MAX 0.20483 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 6446.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6446.15 PRESSURE: 2164400 -23.9243 136.108 -27.5509 136.107 -193.901 51.6067 -27.5518 51.6072 28.3797 GPRESSURE: 2164400 -1.26606 122.235 3.47846 173.361 -192.789 2.52613 37.8188 129.148 106.294 PRESSAVG: 2164400 14.7267 24.0936 6.2958 24.0936 -17.017 62.2935 6.29577 62.2934 -31.4549 GPRESSAVG: 2164400 15.9908 22.787 4.52927 25.0638 -17.2653 62.7279 8.71159 61.8945 -31.8764 TIMING: 2164400 CPU: 6443.02, 0.00306557/step Wall: 6443.02, 0.00306557/step, 2.41464 hours remaining, 206.710938 MB of memory in use. ENERGY: 2164400 748.1624 2088.7546 1949.1375 123.9451 -206134.7014 17833.3716 0.0000 0.0000 34241.2097 -149150.1206 299.0370 -183391.3303 -149053.4953 299.6431 -63.1485 -29.2539 559027.7304 -11.2484 -11.0503 PRESSURE: 2164600 -99.8767 14.8378 53.0907 14.8378 100.777 22.6839 53.0914 22.6827 -277.306 GPRESSURE: 2164600 -112.973 -23.7856 67.7054 99.418 145.25 -5.09166 16.3618 -60.5187 -205.657 PRESSAVG: 2164600 -14.4529 46.955 -74.8129 46.9551 73.7455 -25.0484 -74.8129 -25.0483 -71.7341 GPRESSAVG: 2164600 -15.4287 48.8233 -72.9861 47.3882 74.2603 -24.9828 -76.334 -26.6896 -70.8626 TIMING: 2164600 CPU: 6443.62, 0.00298065/step Wall: 6443.62, 0.00298065/step, 2.34759 hours remaining, 206.710938 MB of memory in use. ENERGY: 2164600 722.0941 2139.9240 1956.3346 110.4643 -206122.4322 17747.2640 0.0000 0.0000 34352.1837 -149094.1675 300.0062 -183446.3512 -149000.3561 299.5121 -92.1353 -57.7935 558933.6992 -4.1472 -4.0103 PRESSURE: 2164800 -189.835 79.654 -52.7505 79.6555 -259.432 132.255 -52.7497 132.255 -356.318 GPRESSURE: 2164800 -180.263 87.3093 23.3594 110.208 -212.27 98.2344 -62.5291 84.7361 -317.236 PRESSAVG: 2164800 54.1018 -15.4273 -6.03153 -15.4272 -8.03026 -14.195 -6.03152 -14.1951 -69.7761 GPRESSAVG: 2164800 53.9644 -16.0146 -5.55886 -16.7238 -8.965 -12.8083 -6.88524 -15.2288 -68.8209 TIMING: 2164800 CPU: 6444.21, 0.00298388/step Wall: 6444.21, 0.00298388/step, 2.34997 hours remaining, 206.710938 MB of memory in use. ENERGY: 2164800 745.9988 2113.7588 1943.1725 101.9168 -205848.2092 17522.1910 0.0000 0.0000 34296.0789 -149125.0924 299.5162 -183421.1713 -149027.4037 299.1352 -268.5281 -236.5896 558837.6938 -7.9015 -7.9405 PRESSURE: 2165000 -153.389 -42.7637 -185.499 -42.764 -158.247 36.1556 -185.499 36.1559 -50.5659 GPRESSURE: 2165000 -179.408 44.9466 -170.164 -77.4608 -73.0165 104.861 -211.102 -81.4536 -8.34744 PRESSAVG: 2165000 38.7475 13.7394 -64.3977 13.7395 31.7922 -12.7931 -64.3977 -12.7933 -104.045 GPRESSAVG: 2165000 38.9951 13.1738 -64.3747 14.8553 32.8156 -13.6258 -63.0374 -10.8953 -104.682 TIMING: 2165000 CPU: 6444.81, 0.00296973/step Wall: 6444.81, 0.00296973/step, 2.33866 hours remaining, 206.710938 MB of memory in use. ENERGY: 2165000 756.0835 2152.5959 1913.8729 101.6457 -206174.8432 17808.2571 0.0000 0.0000 34294.1557 -149148.2324 299.4994 -183442.3881 -149047.0800 299.0628 -120.7337 -86.9238 559207.8288 -11.1684 -10.9572 PRESSURE: 2165200 -53.6229 -135.461 -64.2286 -135.46 -128.993 -15.6834 -64.2279 -15.6833 -91.0854 GPRESSURE: 2165200 -43.6501 -153.352 -18.684 -110.683 -98.1647 -26.1704 -71.7784 30.7031 -34.5231 PRESSAVG: 2165200 -0.713803 -15.2252 -35.5217 -15.2252 -8.05339 -5.37518 -35.5217 -5.37523 7.39004 GPRESSAVG: 2165200 0.449399 -14.154 -36.09 -16.0696 -9.44947 -5.78748 -38.3874 -4.3411 7.77937 TIMING: 2165200 CPU: 6445.4, 0.00297425/step Wall: 6445.4, 0.00297425/step, 2.34206 hours remaining, 206.710938 MB of memory in use. ENERGY: 2165200 787.0342 2089.7609 1944.3748 111.8616 -206268.7697 17727.0493 0.0000 0.0000 34362.6788 -149246.0100 300.0978 -183608.6888 -149151.7543 299.8248 -91.2339 -58.7793 558364.5326 -0.4590 -0.4069 PRESSURE: 2165400 -16.5069 47.1562 -138.871 47.1562 26.5596 -161.229 -138.871 -161.228 203.245 GPRESSURE: 2165400 56.9318 -13.7265 -62.5683 45.1648 53.74 -141.85 -221.139 -202.511 200.304 PRESSAVG: 2165400 -2.07846 -15.14 -34.9799 -15.1401 6.88921 19.0201 -34.98 19.0201 23.5359 GPRESSAVG: 2165400 -3.29883 -15.3503 -34.7566 -17.3414 8.70679 19.1314 -34.539 17.6628 22.9535 TIMING: 2165400 CPU: 6446, 0.0029866/step Wall: 6446, 0.0029866/step, 2.35161 hours remaining, 206.710938 MB of memory in use. ENERGY: 2165400 730.5304 2103.9169 1948.7796 107.5767 -205811.7413 17716.9075 0.0000 0.0000 34075.3714 -149128.6587 297.5887 -183204.0301 -149035.8288 299.8598 71.0992 103.6587 558165.0611 9.4489 9.4538 PRESSURE: 2165600 -395.445 116.549 -14.6246 116.548 20.1441 17.5117 -14.6242 17.5111 -132.843 GPRESSURE: 2165600 -353.321 303.785 -1.74362 4.98871 32.8854 11.2247 -24.2722 -19.2387 -83.592 PRESSAVG: 2165600 5.61855 -25.1156 -10.4443 -25.1156 13.7354 53.4878 -10.4441 53.4877 14.5133 GPRESSAVG: 2165600 5.9341 -24.1875 -11.2149 -22.9529 12.4975 54.4349 -10.2957 52.998 14.9532 TIMING: 2165600 CPU: 6446.6, 0.00300267/step Wall: 6446.6, 0.00300267/step, 2.3641 hours remaining, 206.710938 MB of memory in use. ENERGY: 2165600 746.9778 2058.5242 1948.8389 120.1200 -205730.6408 17572.3895 0.0000 0.0000 34081.0341 -149202.7563 297.6381 -183283.7903 -149111.2341 299.2678 -169.3815 -134.6760 559579.3294 11.2891 11.1283 PRESSURE: 2165800 -64.0448 -10.6666 -73.4962 -10.6669 -143.099 89.1665 -73.4964 89.1667 165.239 GPRESSURE: 2165800 -28.7524 -80.2902 -164.536 103.194 -118.602 92.6716 0.770865 85.1508 196.772 PRESSAVG: 2165800 31.8019 14.0634 -41.2897 14.0634 -61.7139 -0.0222006 -41.2899 -0.022138 5.64436 GPRESSAVG: 2165800 32.1075 12.3945 -40.931 13.936 -61.4744 -0.441511 -39.6454 2.70455 5.21038 TIMING: 2165800 CPU: 6447.2, 0.00298439/step Wall: 6447.2, 0.00298439/step, 2.34954 hours remaining, 206.710938 MB of memory in use. ENERGY: 2165800 767.5327 2061.5141 1948.8639 114.2513 -206208.1111 17894.2888 0.0000 0.0000 34224.2643 -149197.3959 298.8890 -183421.6602 -149096.6678 298.9858 -13.9682 16.4724 555817.8774 -8.0892 -8.0522 PRESSURE: 2166000 75.8792 40.0127 189.202 40.0112 70.7288 -108.561 189.201 -108.562 62.8551 GPRESSURE: 2166000 103.977 84.7805 88.5174 -2.81092 119.861 -27.0306 200.318 -157.455 76.3775 PRESSAVG: 2166000 40.7707 -61.2116 -47.3099 -61.2116 -72.4376 -17.8399 -47.3099 -17.8399 19.4681 GPRESSAVG: 2166000 39.8186 -60.3144 -49.9413 -61.0495 -71.7612 -18.3069 -47.9788 -20.3472 19.6591 TIMING: 2166000 CPU: 6447.8, 0.00301053/step Wall: 6447.8, 0.00301053/step, 2.36995 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: 2166000 712.6367 2055.6661 1964.0015 119.6275 -206057.0229 17735.2504 0.0000 0.0000 34308.3476 -149161.4930 299.6233 -183469.8407 -149062.5047 299.4620 69.8210 100.0717 556305.4310 -4.0663 -4.0945 PRESSURE: 2166200 -37.8102 -3.85231 8.34641 -3.85272 -18.3192 -10.101 8.34757 -10.1005 -278.91 GPRESSURE: 2166200 -53.4593 -25.3941 -25.6898 -28.5022 22.6187 -7.38525 15.0782 -8.94273 -208.878 PRESSAVG: 2166200 40.8501 7.95164 60.3114 7.95167 -26.4645 -46.184 60.3114 -46.184 11.6265 GPRESSAVG: 2166200 42.6437 8.01036 62.0774 7.53258 -27.9817 -45.9482 59.797 -44.6586 11.1398 TIMING: 2166200 CPU: 6448.4, 0.00302661/step Wall: 6448.4, 0.00302661/step, 2.38245 hours remaining, 206.710938 MB of memory in use. ENERGY: 2166200 721.0231 2099.9135 1933.5224 112.4524 -205844.4714 17507.0756 0.0000 0.0000 34375.2324 -149095.2519 300.2075 -183470.4844 -149001.4951 299.1800 -111.6798 -79.9062 557231.1252 8.6707 8.6006 PRESSURE: 2166400 18.9211 71.3889 -104.387 71.3875 -251.187 -97.5464 -104.386 -97.5478 -52.6785 GPRESSURE: 2166400 62.3437 35.358 -178.232 73.3887 -170.22 -173.1 -54.3418 -101.949 -74.7093 PRESSAVG: 2166400 15.2416 27.1964 -17.1542 27.1964 -2.96591 -42.2905 -17.1543 -42.2906 -75.5939 GPRESSAVG: 2166400 12.6746 27.0437 -16.5742 27.4723 -1.35474 -42.4223 -18.4497 -43.4794 -75.4943 TIMING: 2166400 CPU: 6449.01, 0.00302127/step Wall: 6449.01, 0.00302127/step, 2.37808 hours remaining, 206.710938 MB of memory in use. ENERGY: 2166400 772.8412 2091.7016 1921.7115 110.1323 -206326.7768 17718.6086 0.0000 0.0000 34440.2854 -149271.4961 300.7756 -183711.7814 -149178.1868 299.3635 -94.9814 -60.8617 556189.5833 -21.1061 -21.3915 PRESSURE: 2166600 130.206 -140.567 26.6759 -140.566 -232.256 179.65 26.677 179.649 -102.637 GPRESSURE: 2166600 149.834 -138.86 58.2703 -152.528 -183.278 184.179 -51.5035 253.071 -77.1306 PRESSAVG: 2166600 33.3409 -5.46278 -15.6691 -5.4629 22.8287 11.1951 -15.6692 11.195 -45.2121 GPRESSAVG: 2166600 34.1746 -3.71914 -13.4878 -5.64138 22.8952 12.4091 -14.1535 11.7648 -46.0813 TIMING: 2166600 CPU: 6449.62, 0.00305114/step Wall: 6449.62, 0.00305114/step, 2.40142 hours remaining, 206.710938 MB of memory in use. ENERGY: 2166600 746.9648 2089.1204 1916.6629 120.9907 -206275.9350 17575.8721 0.0000 0.0000 34498.4993 -149327.8246 301.2840 -183826.3239 -149239.5222 299.3517 -68.2294 -36.8583 554524.1078 3.6525 3.6628 PRESSURE: 2166800 -288.974 131.581 43.472 131.581 -375.128 -53.2734 43.4723 -53.273 -286.847 GPRESSURE: 2166800 -250.156 160.82 23.2064 67.6585 -351.874 -57.5135 52.302 -33.5038 -257.551 PRESSAVG: 2166800 50.847 -6.24627 -37.5947 -6.24632 -8.33962 26.2525 -37.5948 26.2523 6.4614 GPRESSAVG: 2166800 51.0665 -5.96263 -38.7078 -7.40347 -9.00493 23.4703 -37.5671 27.6116 7.35505 TIMING: 2166800 CPU: 6450.21, 0.00298729/step Wall: 6450.21, 0.00298729/step, 2.35099 hours remaining, 206.710938 MB of memory in use. ENERGY: 2166800 682.2348 2125.4368 1920.9766 122.8916 -205746.4515 17124.9454 0.0000 0.0000 34316.7986 -149453.1675 299.6971 -183769.9662 -149354.5460 300.0732 -316.9831 -286.5271 556756.3390 16.3229 16.4722 PRESSURE: 2167000 -95.8122 97.3712 -15.5365 97.3724 -363.627 -56.7745 -15.5362 -56.7723 128.786 GPRESSURE: 2167000 -105.607 35.2634 -32.0655 175.934 -313.165 -59.858 -8.29779 -68.106 169.813 PRESSAVG: 2167000 27.8904 11.0706 -9.34371 11.0706 -26.3235 -39.2715 -9.34363 -39.2714 -33.965 GPRESSAVG: 2167000 28.1583 9.23429 -10.3331 12.1907 -26.3054 -39.4821 -9.25754 -38.7532 -34.525 TIMING: 2167000 CPU: 6450.81, 0.00296721/step Wall: 6450.81, 0.00296721/step, 2.33503 hours remaining, 206.710938 MB of memory in use. ENERGY: 2167000 741.2985 2091.3562 1893.5354 111.5960 -206385.3563 17772.5197 0.0000 0.0000 34207.8886 -149567.1621 298.7460 -183775.0507 -149468.7987 298.6860 -110.2180 -82.9861 556551.0691 -10.7994 -10.8907 PRESSURE: 2167200 90.1916 -90.1527 31.7623 -90.152 135.399 16.1144 31.7628 16.1131 127.318 GPRESSURE: 2167200 75.8766 -129.094 45.1457 -15.2495 200.658 38.2877 41.7323 20.5389 180.478 PRESSAVG: 2167200 16.5015 -2.04657 5.63106 -2.04653 -17.4755 1.27949 5.63098 1.27959 24.8089 GPRESSAVG: 2167200 16.4212 -2.74191 5.00607 -0.415067 -16.2355 3.00661 5.57152 1.0055 23.4821 TIMING: 2167200 CPU: 6451.41, 0.00298964/step Wall: 6451.41, 0.00298964/step, 2.35252 hours remaining, 206.710938 MB of memory in use. ENERGY: 2167200 751.0938 2021.1920 1932.0389 109.2236 -206689.0584 18098.7025 0.0000 0.0000 34297.1558 -149479.6518 299.5256 -183776.8077 -149384.9742 299.2448 117.6362 152.3376 555930.1110 7.9450 7.8892 PRESSURE: 2167400 -219.524 -58.5315 94.3042 -58.532 -80.9494 -19.0613 94.3043 -19.0626 136.368 GPRESSURE: 2167400 -167.056 13.9081 108.457 -63.5789 -41.5088 -14.6938 179.515 68.9586 145.119 PRESSAVG: 2167400 -48.827 13.2371 39.1044 13.237 75.9111 10.3425 39.1043 10.3427 -0.730439 GPRESSAVG: 2167400 -49.5578 14.805 40.5546 13.1393 75.1018 8.68397 37.4006 9.18063 1.13569 TIMING: 2167400 CPU: 6452, 0.00297422/step Wall: 6452, 0.00297422/step, 2.34022 hours remaining, 206.710938 MB of memory in use. ENERGY: 2167400 707.6644 2044.7790 1930.9580 96.5793 -206317.0905 17824.5847 0.0000 0.0000 34243.7473 -149468.7778 299.0592 -183712.5251 -149371.1362 298.7543 -54.7020 -21.1485 557902.8928 8.7845 8.8932 PRESSURE: 2167600 -187.857 85.5835 70.0579 85.5832 47.0794 10.416 70.0576 10.4146 71.1993 GPRESSURE: 2167600 -112.41 138.788 126.54 68.4906 52.133 54.1887 93.9239 55.0331 88.9213 PRESSAVG: 2167600 -73.4611 59.3889 39.75 59.3889 -3.93828 28.8923 39.7499 28.8922 47.0256 GPRESSAVG: 2167600 -72.4082 60.3924 39.3579 57.544 -4.5232 30.374 41.7321 27.7065 46.7963 TIMING: 2167600 CPU: 6452.6, 0.00301421/step Wall: 6452.6, 0.00301421/step, 2.37151 hours remaining, 206.710938 MB of memory in use. ENERGY: 2167600 701.0911 2081.1661 1928.7754 110.5674 -206552.6479 17897.2698 0.0000 0.0000 34248.1365 -149585.6415 299.0975 -183833.7780 -149484.3928 298.9513 -23.1926 9.5480 556992.6016 -10.1246 -10.0450 PRESSURE: 2167800 46.6536 36.6929 -213.34 36.6926 -273.652 32.9851 -213.34 32.986 -155.489 GPRESSURE: 2167800 59.575 48.2284 -220.428 41.5841 -237.883 3.23276 -208.092 28.7171 -96.2446 PRESSAVG: 2167800 -2.87283 17.3521 -4.63566 17.3521 9.62501 19.4074 -4.63568 19.4075 -22.396 GPRESSAVG: 2167800 -2.21097 16.0734 -4.16486 16.1358 10.2894 19.7486 -6.78969 20.4981 -23.2293 TIMING: 2167800 CPU: 6453.2, 0.00298837/step Wall: 6453.2, 0.00298837/step, 2.35102 hours remaining, 206.710938 MB of memory in use. ENERGY: 2167800 715.4900 2048.8844 1920.9982 126.5212 -206268.0587 17680.3513 0.0000 0.0000 34254.0571 -149521.7565 299.1492 -183775.8136 -149426.2061 298.6442 -127.4958 -91.5175 558098.8861 -5.2146 -5.0503 PRESSURE: 2168000 110.526 145.585 -92.638 145.585 -153.207 -39.8763 -92.6383 -39.8769 -261.826 GPRESSURE: 2168000 126.865 84.6156 -83.844 221.599 -118.311 16.1788 -68.1077 -107.959 -215.913 PRESSAVG: 2168000 41.1996 46.1955 -80.1467 46.1955 12.0651 42.6263 -80.1468 42.6262 -15.8313 GPRESSAVG: 2168000 39.1715 45.0999 -79.4607 47.6974 11.7088 44.5097 -77.9436 40.5177 -13.9287 TIMING: 2168000 CPU: 6453.8, 0.00299006/step Wall: 6453.8, 0.00299006/step, 2.35218 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: 2168000 729.6850 2061.0217 1937.1761 119.4251 -206046.3783 17589.7637 0.0000 0.0000 34188.6606 -149420.6461 298.5781 -183609.3067 -149327.1155 298.4821 -101.5022 -69.1196 557802.7730 12.4778 12.3172 PRESSURE: 2168200 -89.5584 11.2801 25.518 11.2799 -198.48 -73.2348 25.5196 -73.2351 -243.511 GPRESSURE: 2168200 -13.0471 31.1257 45.9346 68.5306 -191.249 -13.9885 51.6493 -86.1385 -227.658 PRESSAVG: 2168200 92.8111 -2.4258 7.08699 -2.42581 -38.4419 -16.1262 7.08713 -16.1262 -57.5631 GPRESSAVG: 2168200 93.7047 -0.249582 5.02594 -3.61476 -39.0171 -17.7011 8.47748 -14.4256 -58.4509 TIMING: 2168200 CPU: 6454.4, 0.00298876/step Wall: 6454.4, 0.00298876/step, 2.35099 hours remaining, 206.710938 MB of memory in use. ENERGY: 2168200 719.1501 2082.2389 1958.6301 128.8852 -206004.8943 17579.2210 0.0000 0.0000 33987.5404 -149549.2285 296.8216 -183536.7689 -149456.6551 298.7716 -177.1830 -143.9844 557947.1129 -1.0646 -1.2544 LDB: ============= START OF LOAD BALANCING ============== 6457.83 LDB: ============== END OF LOAD BALANCING =============== 6457.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6457.83 LDB: ============= START OF LOAD BALANCING ============== 6458.13 LDB: Largest compute 4821 load 0.026897 is 22.8% of average load 0.118024 LDB: Average compute 0.001716 is 1.5% of average load 0.118024 LDB: TIME 6458.13 LOAD: AVG 0.118024 MAX 0.205939 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 6458.13 LOAD: AVG 0.118024 MAX 0.205939 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 6458.13 LOAD: AVG 0.118024 MAX 0.205939 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6458.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6458.14 PRESSURE: 2168400 111.722 14.2349 -4.51712 14.2353 -96.4985 -61.5493 -4.51862 -61.5479 430.878 GPRESSURE: 2168400 111.653 -41.2523 93.3855 -0.0859841 -5.09936 -3.2442 -98.8427 7.10875 431.242 PRESSAVG: 2168400 30.2752 36.629 50.0352 36.6289 -20.551 26.2483 50.0351 26.2483 12.5287 GPRESSAVG: 2168400 30.7985 35.491 54.9783 38.6745 -20.4698 26.6807 49.4111 26.9945 12.039 TIMING: 2168400 CPU: 6455.01, 0.00304895/step Wall: 6455.01, 0.00304895/step, 2.39817 hours remaining, 205.941406 MB of memory in use. ENERGY: 2168400 690.9531 2075.0593 1942.2079 100.5367 -206297.6385 17876.6819 0.0000 0.0000 34092.6134 -149519.5861 297.7393 -183612.1995 -149422.2490 298.5596 148.7003 179.2654 555457.2927 7.4176 7.4559 PRESSURE: 2168600 -163.347 -11.4699 -99.1777 -11.4698 -120.259 134.331 -99.1775 134.33 -65.4243 GPRESSURE: 2168600 -144.642 83.1544 -198.679 -77.9804 -85.8337 92.9199 -25.3902 154.72 -22.0927 PRESSAVG: 2168600 -67.5319 -98.9082 -21.0875 -98.9082 -20.9849 3.7937 -21.0876 3.7937 100.697 GPRESSAVG: 2168600 -68.4266 -99.5458 -21.9868 -100.515 -20.7266 2.53741 -24.8775 2.72502 101.425 TIMING: 2168600 CPU: 6455.61, 0.00300304/step Wall: 6455.61, 0.00300304/step, 2.36189 hours remaining, 206.144531 MB of memory in use. ENERGY: 2168600 747.0052 2095.8815 1908.1288 116.1235 -206077.8187 17473.4297 0.0000 0.0000 34174.9920 -149562.2580 298.4587 -183737.2500 -149468.4030 298.4848 -116.3432 -84.1894 555738.9188 4.0600 4.0907 PRESSURE: 2168800 -96.1209 -50.0032 62.3378 -50.0021 -17.0494 -178.591 62.3366 -178.592 226.121 GPRESSURE: 2168800 -1.6669 -98.1459 53.0554 -11.4402 -21.5999 -137.392 -40.775 -179.405 246.218 PRESSAVG: 2168800 -6.36324 -31.0719 9.36637 -31.0718 -93.5576 14.8731 9.36647 14.8731 81.463 GPRESSAVG: 2168800 -5.03428 -30.4783 5.22987 -30.0727 -94.1707 14.8132 13.3182 14.4815 81.0622 TIMING: 2168800 CPU: 6456.21, 0.00301766/step Wall: 6456.21, 0.00301766/step, 2.37322 hours remaining, 206.144531 MB of memory in use. ENERGY: 2168800 730.1495 2062.6125 1964.3126 110.9586 -206511.3857 17806.3175 0.0000 0.0000 34122.6128 -149714.4222 298.0013 -183837.0350 -149615.2181 298.4889 37.6504 74.3172 554449.5220 -6.1526 -6.0476 PRESSURE: 2169000 176.97 -8.73238 35.463 -8.73214 -293.903 -22.9446 35.4623 -22.9452 9.08644 GPRESSURE: 2169000 190.593 -0.0382118 -34.5709 -45.4382 -261.933 -96.3417 109.292 104.281 64.9236 PRESSAVG: 2169000 72.9044 -49.124 -15.7137 -49.124 -1.12191 6.40765 -15.7137 6.40747 -29.1972 GPRESSAVG: 2169000 73.1645 -48.7335 -14.2522 -49.9295 -0.102985 5.09235 -17.7854 7.51033 -29.6993 TIMING: 2169000 CPU: 6456.82, 0.00302211/step Wall: 6456.82, 0.00302211/step, 2.37655 hours remaining, 206.144531 MB of memory in use. ENERGY: 2169000 750.5302 2077.9186 1951.2278 110.2333 -206694.0632 17832.8937 0.0000 0.0000 34101.5188 -149869.7409 297.8170 -183971.2597 -149778.4612 297.8324 -35.9489 -2.1389 554799.2371 14.1951 14.4541 PRESSURE: 2169200 53.0082 -6.51386 -239.201 -6.51379 -32.8384 96.1642 -239.2 96.163 -38.0918 GPRESSURE: 2169200 66.2174 -15.9826 -202.274 3.58215 -12.7015 25.4947 -199.377 66.7219 28.9415 PRESSAVG: 2169200 82.0339 -54.1758 -37.9364 -54.1757 -12.6079 40.1666 -37.9364 40.1667 -55.5094 GPRESSAVG: 2169200 81.63 -52.5231 -40.2481 -54.1766 -13.1069 39.7713 -35.4049 41.231 -54.8482 TIMING: 2169200 CPU: 6457.42, 0.00299665/step Wall: 6457.42, 0.00299665/step, 2.35636 hours remaining, 206.144531 MB of memory in use. ENERGY: 2169200 738.4454 2087.9620 1916.6482 111.9052 -207101.2168 18172.6037 0.0000 0.0000 34100.9645 -149972.6877 297.8122 -184073.6522 -149874.7398 297.1522 -5.9740 27.4858 555633.0135 4.6389 4.5583 PRESSURE: 2169400 0.949173 41.7102 65.9169 41.7098 7.69933 -76.1121 65.9164 -76.1101 237.423 GPRESSURE: 2169400 58.0744 54.4654 26.4853 13.8162 -16.4725 22.243 58.8281 -132.208 295.233 PRESSAVG: 2169400 -4.68226 -70.1132 -24.1696 -70.1132 24.052 4.09425 -24.1697 4.09436 -20.395 GPRESSAVG: 2169400 -4.59467 -72.1297 -23.903 -69.175 23.3768 6.41623 -25.709 1.06635 -20.1122 TIMING: 2169400 CPU: 6458.01, 0.00296956/step Wall: 6458.01, 0.00296956/step, 2.3349 hours remaining, 206.144531 MB of memory in use. ENERGY: 2169400 731.3046 2093.7075 1956.4799 118.7918 -206932.3353 18079.6800 0.0000 0.0000 34019.8622 -149932.5095 297.1039 -183952.3716 -149836.3644 297.6648 82.0237 112.2782 556298.4317 -0.3418 -0.4434 PRESSURE: 2169600 -190.234 90.9343 -35.2668 90.9349 126.223 -16.5736 -35.2671 -16.5723 182.881 GPRESSURE: 2169600 -160.943 78.9853 -41.3563 134.635 107.464 -53.5058 0.203945 -87.4573 271.93 PRESSAVG: 2169600 -22.5135 19.5927 -10.6744 19.5927 -52.3835 -25.3488 -10.6744 -25.3486 66.0285 GPRESSAVG: 2169600 -21.8154 20.1235 -9.12158 18.5536 -52.1378 -27.4963 -10.3704 -21.1564 65.0597 TIMING: 2169600 CPU: 6458.6, 0.00294266/step Wall: 6458.6, 0.00294266/step, 2.31358 hours remaining, 206.144531 MB of memory in use. ENERGY: 2169600 759.1381 2101.1667 1926.8715 104.7277 -206930.0483 18183.6159 0.0000 0.0000 34058.1537 -149796.3746 297.4383 -183854.5283 -149705.8132 297.8334 39.6234 72.8171 555951.6050 -2.9561 -2.9645 PRESSURE: 2169800 -21.6325 43.1003 -38.7373 43.1 -44.5787 -99.3352 -38.7382 -99.3349 -59.2474 GPRESSURE: 2169800 -16.8274 41.6434 131.775 -71.0544 -0.51223 -23.5124 -120.511 -111.266 -19.3029 PRESSAVG: 2169800 -29.8211 12.6539 33.5014 12.6539 12.2991 -93.8558 33.5014 -93.8558 48.1598 GPRESSAVG: 2169800 -29.3438 10.5479 34.245 17.008 11.8905 -92.1295 31.9125 -95.2741 48.0077 TIMING: 2169800 CPU: 6459.19, 0.00295797/step Wall: 6459.19, 0.00295797/step, 2.32546 hours remaining, 206.144531 MB of memory in use. ENERGY: 2169800 741.1350 2142.6932 1938.5922 101.6493 -206296.3086 17777.4750 0.0000 0.0000 34061.2565 -149533.5074 297.4654 -183594.7639 -149443.7278 298.1268 -41.8196 -12.2142 557663.0241 10.2126 10.1848 PRESSURE: 2170000 118.73 119.322 197.225 119.324 187.16 111.797 197.224 111.796 141.698 GPRESSURE: 2170000 112.316 197.316 254.257 148.262 242.326 20.9447 94.4468 140.846 190.501 PRESSAVG: 2170000 27.7988 77.3196 31.4199 77.3196 -57.4579 -19.7399 31.4199 -19.7399 -11.1818 GPRESSAVG: 2170000 26.5946 79.7544 30.3143 73.8824 -56.8187 -20.3257 30.7199 -19.6105 -10.0763 TIMING: 2170000 CPU: 6459.78, 0.00296815/step Wall: 6459.78, 0.00296815/step, 2.33329 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: 2170000 777.1889 2099.2456 1924.2623 113.4990 -206357.5028 17987.9814 0.0000 0.0000 34053.7609 -149401.5647 297.4000 -183455.3256 -149305.8626 298.7699 149.1958 181.7145 557443.8826 -13.6136 -13.4335 PRESSURE: 2170200 68.3131 -191.267 29.6721 -191.267 -168.417 164.248 29.6732 164.248 -157.075 GPRESSURE: 2170200 78.0338 -165.746 -1.29267 -215.001 -166.763 166.3 78.7885 230.897 -62.5485 PRESSAVG: 2170200 34.1849 6.82554 16.0101 6.82543 -13.6227 -15.6588 16.0101 -15.6589 10.1531 GPRESSAVG: 2170200 32.9561 5.02188 16.3074 7.88258 -13.6308 -15.4547 17.5419 -17.5314 11.9404 TIMING: 2170200 CPU: 6460.38, 0.00296766/step Wall: 6460.38, 0.00296766/step, 2.33274 hours remaining, 206.144531 MB of memory in use. ENERGY: 2170200 711.2358 2130.5380 1929.8901 109.9852 -206295.1355 17711.6627 0.0000 0.0000 34155.3360 -149546.4877 298.2870 -183701.8237 -149441.5027 299.2226 -85.7261 -50.4258 558618.2756 10.2384 10.4219 PRESSURE: 2170400 -140.183 22.6685 -176.431 22.6696 -124.421 121.935 -176.433 121.933 -40.9181 GPRESSURE: 2170400 -60.3191 62.8042 -156.155 73.4448 -88.4281 105.829 -224.981 122.044 -51.6517 PRESSAVG: 2170400 26.9985 -25.0547 -15.2653 -25.0548 -26.1585 50.6577 -15.2652 50.6577 -41.3256 GPRESSAVG: 2170400 28.3825 -23.855 -15.4299 -24.9651 -26.0005 50.4853 -16.7928 53.1765 -42.9724 TIMING: 2170400 CPU: 6460.97, 0.00295804/step Wall: 6460.97, 0.00295804/step, 2.32502 hours remaining, 206.144531 MB of memory in use. ENERGY: 2170400 750.1235 2138.7923 1917.1426 103.8907 -206257.2395 17749.9773 0.0000 0.0000 34029.6003 -149567.7128 297.1890 -183597.3131 -149467.1939 298.9108 -101.8407 -66.7996 557581.4240 -13.4952 -13.5301 PRESSURE: 2170600 -102.137 -90.5531 90.4376 -90.5531 -154.461 61.2204 90.4374 61.2227 103.475 GPRESSURE: 2170600 -18.8337 -108.255 45.422 -120.963 -145.788 31.1583 142.87 124.531 107.513 PRESSAVG: 2170600 17.2941 -16.2812 -21.4946 -16.2811 23.1449 53.0243 -21.4947 53.0244 -14.0863 GPRESSAVG: 2170600 16.3184 -15.4951 -20.0187 -17.6533 23.4993 52.1394 -20.9608 53.4969 -14.0534 TIMING: 2170600 CPU: 6461.56, 0.00296349/step Wall: 6461.56, 0.00296349/step, 2.32914 hours remaining, 206.144531 MB of memory in use. ENERGY: 2170600 764.7278 2126.3336 1903.5004 121.1452 -206386.1688 17745.9088 0.0000 0.0000 34120.9906 -149603.5623 297.9871 -183724.5529 -149499.8243 298.1001 -51.0409 -19.0363 556416.4741 8.7842 8.5881 PRESSURE: 2170800 107.531 -29.1655 -135.218 -29.1669 156.771 64.3211 -135.218 64.321 -253.023 GPRESSURE: 2170800 125.305 24.6921 -20.7606 -87.1149 204.4 4.6519 -203.006 92.402 -226.436 PRESSAVG: 2170800 3.19932 -0.465603 -12.9574 -0.465696 56.2772 15.6266 -12.9574 15.6266 -59.4893 GPRESSAVG: 2170800 4.08379 -0.292892 -16.5128 -0.150625 54.8628 15.0179 -10.3791 14.3845 -59.7378 TIMING: 2170800 CPU: 6462.15, 0.00296711/step Wall: 6462.15, 0.00296711/step, 2.33182 hours remaining, 206.144531 MB of memory in use. ENERGY: 2170800 745.1550 2101.3848 1904.4512 117.5245 -206463.8807 17988.8575 0.0000 0.0000 34030.4712 -149576.0365 297.1966 -183606.5078 -149482.2089 298.9030 3.7597 34.4229 556575.5509 -0.0042 -0.2637 PRESSURE: 2171000 -111.924 -81.1073 -91.2209 -81.1079 129.619 22.7876 -91.2198 22.7871 90.4162 GPRESSURE: 2171000 -114.966 -165.126 -35.7526 -46.5591 141.673 29.0065 -166.082 19.7251 184.808 PRESSAVG: 2171000 -38.5437 -9.58563 -68.2591 -9.58569 24.7693 -11.4121 -68.2591 -11.4121 12.7784 GPRESSAVG: 2171000 -39.1427 -11.6726 -64.8364 -9.22655 24.542 -10.4023 -72.2416 -12.2981 13.0507 TIMING: 2171000 CPU: 6462.75, 0.00296703/step Wall: 6462.75, 0.00296703/step, 2.33159 hours remaining, 206.144531 MB of memory in use. ENERGY: 2171000 750.1452 2068.3515 1939.1111 113.6075 -206683.9875 17898.7325 0.0000 0.0000 34223.8340 -149690.2058 298.8853 -183914.0398 -149594.8143 298.9287 36.0369 70.5050 556604.8396 -0.3320 -0.5167 PRESSURE: 2171200 -147.847 -34.7749 79.1613 -34.7747 159.739 -119.587 79.1595 -119.587 -52.1897 GPRESSURE: 2171200 -137.887 -16.7369 86.7687 -81.2736 227.358 -75.9611 125.896 -184.147 -37.1208 PRESSAVG: 2171200 -45.2346 -76.0986 -50.6246 -76.0985 72.0273 -51.923 -50.6246 -51.9231 2.16579 GPRESSAVG: 2171200 -45.6597 -74.8771 -51.6902 -75.6413 72.8517 -51.8016 -47.9706 -52.3842 1.56314 TIMING: 2171200 CPU: 6463.34, 0.00298278/step Wall: 6463.34, 0.00298278/step, 2.3438 hours remaining, 206.144531 MB of memory in use. ENERGY: 2171200 762.3151 2073.5261 1944.2037 111.1766 -206752.0500 17874.0307 0.0000 0.0000 34153.9260 -149832.8719 298.2747 -183986.7980 -149736.1684 298.6175 -13.4326 17.4500 556128.0905 9.6528 9.5851 PRESSURE: 2171400 -10.202 -31.7326 150.741 -31.7334 -194.654 -96.315 150.742 -96.3152 -49.4115 GPRESSURE: 2171400 -41.9153 17.7153 80.4838 -15.826 -109.477 -139.18 140.839 -96.1299 -6.38762 PRESSAVG: 2171400 -53.9186 -50.2801 -68.129 -50.28 39.0492 -41.1842 -68.1291 -41.1842 16.9303 GPRESSAVG: 2171400 -53.4352 -50.4389 -67.2687 -49.5968 37.3078 -41.7899 -70.3504 -39.2653 18.2409 TIMING: 2171400 CPU: 6463.94, 0.00298944/step Wall: 6463.94, 0.00298944/step, 2.34887 hours remaining, 206.144531 MB of memory in use. ENERGY: 2171400 747.3141 2102.1103 1892.9569 120.3572 -206669.0903 17870.8769 0.0000 0.0000 33972.4956 -149962.9793 296.6903 -183935.4749 -149878.5194 296.5889 -84.7558 -52.5933 557643.0931 0.6870 0.7045 PRESSURE: 2171600 -173.226 -34.647 77.8564 -34.6472 -321.529 -51.3797 77.8566 -51.3791 -177.826 GPRESSURE: 2171600 -191.526 72.4429 145.27 -78.6641 -298.643 50.4908 46.6302 -85.6177 -90.3617 PRESSAVG: 2171600 -24.818 -12.8757 27.6508 -12.8757 -17.7089 -26.9521 27.6509 -26.952 42.2413 GPRESSAVG: 2171600 -25.2427 -12.556 25.4552 -13.2282 -17.5473 -25.2343 28.8564 -27.6302 41.8789 TIMING: 2171600 CPU: 6464.54, 0.00298016/step Wall: 6464.54, 0.00298016/step, 2.34141 hours remaining, 206.144531 MB of memory in use. ENERGY: 2171600 721.1535 2134.8751 1906.8268 99.2936 -206526.0102 17573.7236 0.0000 0.0000 34181.8116 -149908.3260 298.5183 -184090.1376 -149807.8657 297.3043 -224.1935 -193.5102 558157.0828 -0.0952 -0.3037 PRESSURE: 2171800 -3.03507 60.405 108.029 60.4042 52.9491 20.8888 108.03 20.8878 194.544 GPRESSURE: 2171800 64.3762 17.5365 120.4 98.9466 29.3361 63.3959 126.843 38.7554 237.466 PRESSAVG: 2171800 77.775 6.58976 31.9933 6.58974 -14.2951 -31.6545 31.9933 -31.6545 -48.563 GPRESSAVG: 2171800 77.4423 8.31682 32.1607 4.52743 -14.304 -32.9619 31.6103 -33.0192 -48.8002 TIMING: 2171800 CPU: 6465.14, 0.00298809/step Wall: 6465.14, 0.00298809/step, 2.34747 hours remaining, 206.144531 MB of memory in use. ENERGY: 2171800 756.3083 2116.8630 1934.1883 120.2261 -206694.8472 17981.0743 0.0000 0.0000 33971.9519 -149814.2353 296.6855 -183786.1872 -149720.0765 297.2950 81.4859 110.3927 555995.4235 4.9723 4.7794 PRESSURE: 2172000 -219.87 168.067 5.14922 168.066 177.671 44.0618 5.14958 44.0601 -190.204 GPRESSURE: 2172000 -146.441 178.861 -60.0117 216.408 176.742 124.76 0.711075 -11.7995 -162.277 PRESSAVG: 2172000 35.4903 10.3017 13.8919 10.3017 -20.9319 2.58346 13.8919 2.5834 -4.27362 GPRESSAVG: 2172000 36.2509 9.06452 12.7349 10.5596 -22.675 2.65298 15.847 3.68443 -2.90693 TIMING: 2172000 CPU: 6465.73, 0.00298629/step Wall: 6465.73, 0.00298629/step, 2.3459 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: 2172000 764.8734 2096.9287 1904.9231 121.2277 -206548.6448 17741.1455 0.0000 0.0000 33931.5378 -149988.0086 296.3326 -183919.5464 -149889.5240 297.1668 -77.4679 -43.9920 556627.3832 3.4283 3.5563 PRESSURE: 2172200 -98.1877 31.1142 116.887 31.1141 -158.368 -37.8484 116.887 -37.8473 44.4016 GPRESSURE: 2172200 -63.1365 87.7183 109.413 69.8403 -142.795 -15.0749 147.178 45.8401 91.8244 PRESSAVG: 2172200 34.5677 -32.4713 -27.4146 -32.4713 -18.5682 -18.2084 -27.4145 -18.2086 10.1686 GPRESSAVG: 2172200 35.4326 -32.0697 -22.9661 -33.2078 -17.9622 -18.1522 -28.8685 -18.1132 9.20447 TIMING: 2172200 CPU: 6466.33, 0.00300282/step Wall: 6466.33, 0.00300282/step, 2.35871 hours remaining, 206.144531 MB of memory in use. ENERGY: 2172200 761.0062 2071.7679 1931.7620 110.6906 -206513.0552 17843.9272 0.0000 0.0000 33947.1691 -149846.7322 296.4691 -183793.9013 -149751.5026 297.3779 -70.7179 -38.0355 557828.6232 8.7227 8.8917 LDB: ============= START OF LOAD BALANCING ============== 6469.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6469.76 LDB: =============== DONE WITH MIGRATION ================ 6469.77 LDB: ============= START OF LOAD BALANCING ============== 6470.07 LDB: Largest compute 4821 load 0.026477 is 22.4% of average load 0.118155 LDB: Average compute 0.001718 is 1.5% of average load 0.118155 LDB: TIME 6470.07 LOAD: AVG 0.118155 MAX 0.208932 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 6470.07 LOAD: AVG 0.118155 MAX 0.208932 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 6470.07 LOAD: AVG 0.118155 MAX 0.208932 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6470.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6470.08 PRESSURE: 2172400 -237.1 -8.87765 -32.4322 -8.87826 -368.355 137.878 -32.4312 137.879 -77.2846 GPRESSURE: 2172400 -220.68 -50.2342 46.8982 14.6875 -313.906 111.934 -51.1324 151.19 -63.832 PRESSAVG: 2172400 18.2664 25.5319 -11.0329 25.532 -34.8109 -2.16686 -11.0328 -2.16682 -22.1337 GPRESSAVG: 2172400 17.4978 24.3697 -12.4633 26.5204 -33.6209 -2.89816 -11.0743 -2.29827 -22.4306 TIMING: 2172400 CPU: 6466.95, 0.00307673/step Wall: 6466.95, 0.00307673/step, 2.4166 hours remaining, 206.128906 MB of memory in use. ENERGY: 2172400 750.2960 2157.3550 1907.4786 121.7795 -206298.8935 17581.2062 0.0000 0.0000 33979.4804 -149801.2978 296.7513 -183780.7782 -149708.7515 297.5013 -227.5797 -199.4729 558698.2896 -12.8927 -12.8512 PRESSURE: 2172600 256.081 -124.64 293.805 -124.638 25.1177 -2.46196 293.805 -2.46051 -40.3006 GPRESSURE: 2172600 300.509 -87.5944 325.33 -37.0399 96.534 -95.488 237.409 40.6937 -42.5238 PRESSAVG: 2172600 -47.3632 -49.3634 37.5207 -49.3635 5.67024 -8.23908 37.5206 -8.23899 22.349 GPRESSAVG: 2172600 -46.72 -47.6379 36.6368 -50.1052 5.10053 -6.1381 35.7603 -8.91702 21.9252 TIMING: 2172600 CPU: 6467.55, 0.0029969/step Wall: 6467.55, 0.00299691/step, 2.35374 hours remaining, 206.128906 MB of memory in use. ENERGY: 2172600 752.4200 2131.0429 1913.3695 124.8723 -206970.6155 18114.1355 0.0000 0.0000 34267.9620 -149666.8133 299.2706 -183934.7753 -149570.6066 298.1405 80.2995 118.1732 556993.2285 -6.4480 -6.5648 PRESSURE: 2172800 199.002 70.9027 -31.6826 70.9029 302.733 -25.8341 -31.6837 -25.8347 105.365 GPRESSURE: 2172800 207.061 -26.3988 -66.4327 115.814 292.128 -59.0055 10.2994 -26.2241 200.603 PRESSAVG: 2172800 12.7527 -10.1082 -4.68674 -10.1081 9.60647 -0.536905 -4.68681 -0.536816 19.1478 GPRESSAVG: 2172800 11.8453 -11.8019 -5.56784 -9.18971 10.2451 -2.82302 -2.02751 1.52724 19.0332 TIMING: 2172800 CPU: 6468.15, 0.00301745/step Wall: 6468.15, 0.00301745/step, 2.3697 hours remaining, 206.128906 MB of memory in use. ENERGY: 2172800 748.2993 2092.8655 1922.4486 114.1638 -206725.3073 18118.0795 0.0000 0.0000 34118.3534 -149611.0973 297.9641 -183729.4507 -149509.7594 298.1820 202.3666 233.2638 556305.2502 13.8356 13.7079 PRESSURE: 2173000 136.381 46.8637 20.6866 46.8621 -47.3207 -23.4555 20.6861 -23.4546 -32.4438 GPRESSURE: 2173000 179.983 107.154 75.2898 33.2828 -68.6297 24.0026 -43.1095 -122.99 34.2431 PRESSAVG: 2173000 -1.41247 8.02657 -28.1977 8.02651 38.1489 -8.38319 -28.1977 -8.38323 2.26278 GPRESSAVG: 2173000 -3.52191 9.82491 -27.3969 5.48582 38.9874 -8.49118 -28.2137 -8.0553 3.36324 TIMING: 2173000 CPU: 6468.76, 0.00302352/step Wall: 6468.76, 0.00302352/step, 2.37431 hours remaining, 206.128906 MB of memory in use. ENERGY: 2173000 710.9104 2169.2330 1900.9803 107.4260 -207142.3448 18140.7251 0.0000 0.0000 34452.0411 -149661.0290 300.8782 -184113.0701 -149565.4426 299.0980 18.8723 48.5321 556529.2678 12.9997 12.9429 PRESSURE: 2173200 -63.6435 8.20272 -40.266 8.20297 108.356 36.4246 -40.2662 36.4247 -173.445 GPRESSURE: 2173200 10.6439 16.914 -29.5174 -58.1035 127.553 -34.1831 -32.4639 -28.7355 -175.735 PRESSAVG: 2173200 11.4363 -20.4675 -37.5784 -20.4675 33.8693 -54.8029 -37.5784 -54.8029 -19.9878 GPRESSAVG: 2173200 13.4672 -20.7583 -39.3761 -18.6632 33.2579 -54.4992 -37.6265 -56.1566 -21.7674 TIMING: 2173200 CPU: 6469.36, 0.00300441/step Wall: 6469.36, 0.00300441/step, 2.35913 hours remaining, 206.128906 MB of memory in use. ENERGY: 2173200 688.3443 2130.7888 1918.3101 101.7964 -205918.1400 17665.2110 0.0000 0.0000 33834.3523 -149579.3372 295.4838 -183413.6895 -149474.8093 298.3605 -42.9106 -12.5127 556872.2531 8.4393 8.3192 PRESSURE: 2173400 -49.5936 -114.571 -22.291 -114.571 -87.8726 81.5903 -22.29 81.5898 -124.858 GPRESSURE: 2173400 -15.209 -153.087 -71.5506 -60.7326 -107.805 92.5594 16.078 133.317 -41.2397 PRESSAVG: 2173400 51.9465 -14.1976 14.8929 -14.1975 -5.46997 -8.2496 14.8929 -8.24956 -53.7268 GPRESSAVG: 2173400 51.3287 -15.2529 16.071 -15.3265 -5.48885 -9.08235 16.0116 -7.14806 -53.425 TIMING: 2173400 CPU: 6469.96, 0.00299152/step Wall: 6469.96, 0.00299152/step, 2.34884 hours remaining, 206.128906 MB of memory in use. ENERGY: 2173400 766.9952 2119.2909 1919.3300 116.4270 -206227.8183 17740.4695 0.0000 0.0000 34206.4844 -149358.8213 298.7337 -183565.3057 -149259.0683 298.5415 -87.4413 -54.7511 556756.6558 -2.4168 -2.5284 PRESSURE: 2173600 -20.2894 -74.4956 -180.841 -74.4938 -149.483 -23.7764 -180.84 -23.7777 -61.8816 GPRESSURE: 2173600 -41.8231 -18.6406 -189.434 -97.4006 -103.531 -21.7304 -280.704 -28.8234 20.2074 PRESSAVG: 2173600 36.3073 -58.5482 -33.7068 -58.5482 14.2659 32.2763 -33.7068 32.2763 -39.7485 GPRESSAVG: 2173600 34.1107 -59.0245 -35.3392 -58.0905 15.2223 32.9656 -35.996 30.0597 -38.6555 TIMING: 2173600 CPU: 6470.55, 0.00298924/step Wall: 6470.55, 0.00298924/step, 2.34688 hours remaining, 206.128906 MB of memory in use. ENERGY: 2173600 726.4704 2101.2583 1934.3719 116.5776 -206098.9811 17695.1530 0.0000 0.0000 34321.1889 -149203.9611 299.7355 -183525.1500 -149107.4294 299.7582 -77.2180 -41.7157 557710.9890 3.6082 3.5592 PRESSURE: 2173800 147.22 6.12301 110.862 6.12272 232.139 -26.0601 110.86 -26.0609 210.03 GPRESSURE: 2173800 158.859 57.5722 91.85 16.1783 269.415 -113.945 50.6528 56.2615 249.38 PRESSAVG: 2173800 1.05716 -5.07614 21.4295 -5.07603 -17.8199 32.6332 21.4295 32.6333 30.7815 GPRESSAVG: 2173800 2.3956 -5.74182 24.7269 -3.25063 -18.2988 32.1964 20.9981 32.6066 30.1781 TIMING: 2173800 CPU: 6471.15, 0.00299713/step Wall: 6471.15, 0.00299713/step, 2.35291 hours remaining, 206.128906 MB of memory in use. ENERGY: 2173800 709.5161 2057.2545 1954.0280 130.1609 -206153.6814 17939.1622 0.0000 0.0000 34311.1176 -149052.4420 299.6475 -183363.5597 -148955.8769 299.6999 196.4629 225.8845 557313.8075 4.6729 4.7583 PRESSURE: 2174000 -55.7868 63.5114 -6.45673 63.5114 -6.48005 159.444 -6.45629 159.444 47.704 GPRESSURE: 2174000 30.0644 109.503 36.0135 0.869919 18.6935 90.7805 -6.50504 92.3434 33.4627 PRESSAVG: 2174000 62.4242 -6.07223 -11.686 -6.07219 -95.3132 11.1413 -11.6859 11.1414 14.6949 GPRESSAVG: 2174000 63.5652 -5.10495 -12.8593 -5.47375 -96.6308 11.533 -9.96683 13.747 14.8592 TIMING: 2174000 CPU: 6471.75, 0.00299192/step Wall: 6471.75, 0.00299192/step, 2.34866 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: 2174000 733.9925 2114.1235 1919.5877 112.6038 -206375.9553 17996.2661 0.0000 0.0000 34380.9824 -149118.3994 300.2577 -183499.3817 -149020.7272 300.2778 -4.8543 27.4069 558732.8879 -6.0647 -6.0688 PRESSURE: 2174200 -1.82568 66.075 -115.937 66.0759 -164.613 4.64354 -115.937 4.64302 -81.0368 GPRESSURE: 2174200 3.96452 66.3991 -17.4139 -58.7885 -155.665 -17.546 -229.615 44.5843 -3.06636 PRESSAVG: 2174200 -32.5279 55.8948 51.5466 55.8948 11.5239 10.9579 51.5466 10.9578 26.4446 GPRESSAVG: 2174200 -32.9131 56.4481 50.4081 52.3025 12.7065 9.84432 52.5869 10.0943 26.0722 TIMING: 2174200 CPU: 6472.35, 0.00300165/step Wall: 6472.35, 0.00300165/step, 2.35612 hours remaining, 206.128906 MB of memory in use. ENERGY: 2174200 772.5962 2050.3511 1942.3649 117.5750 -206121.9860 17732.0891 0.0000 0.0000 34275.7121 -149231.2976 299.3383 -183507.0097 -149134.6196 299.6878 -82.4917 -51.5891 557520.5698 1.8135 1.9552 PRESSURE: 2174400 -94.1035 91.0249 11.5059 91.0252 -179.81 -18.3973 11.5064 -18.3993 -29.0654 GPRESSURE: 2174400 -83.9087 157.163 -16.2495 152.912 -117.215 -9.78377 49.8593 -51.761 -6.88723 PRESSAVG: 2174400 35.1959 32.6699 11.1583 32.6699 -13.6951 10.7626 11.1584 10.7626 -36.573 GPRESSAVG: 2174400 35.1 33.6359 11.0032 33.4287 -13.6917 10.2922 10.3102 9.68277 -36.7545 TIMING: 2174400 CPU: 6472.94, 0.00296262/step Wall: 6472.94, 0.00296262/step, 2.32533 hours remaining, 206.128906 MB of memory in use. ENERGY: 2174400 721.7619 2127.2417 1929.3737 105.8119 -205986.4746 17597.2844 0.0000 0.0000 34535.0071 -148969.9939 301.6028 -183505.0010 -148875.4651 300.0321 -100.9931 -69.3370 558444.0346 -5.0241 -5.1154 PRESSURE: 2174600 441.88 2.53322 -63.4976 2.53154 197.344 74.1638 -63.4976 74.1642 199.639 GPRESSURE: 2174600 531.456 -3.44179 -137.255 -18.9064 178.304 51.9708 10.8201 39.5152 222.86 PRESSAVG: 2174600 64.4089 43.7774 55.681 43.7774 -46.5479 28.6752 55.681 28.6753 15.7614 GPRESSAVG: 2174600 65.3362 43.067 54.169 43.2238 -48.3432 32.2999 56.6248 25.9032 17.1542 TIMING: 2174600 CPU: 6473.54, 0.00297866/step Wall: 6473.54, 0.00297866/step, 2.33775 hours remaining, 206.128906 MB of memory in use. ENERGY: 2174600 780.3606 2101.4895 1913.4234 110.9150 -206331.5020 18261.9265 0.0000 0.0000 34117.3190 -149046.0680 297.9550 -183163.3870 -148947.8423 300.3811 279.6208 310.8732 558513.9534 11.2075 11.3824 PRESSURE: 2174800 -146.807 26.3096 -146.374 26.309 -271.584 53.7501 -146.374 53.7514 -477.024 GPRESSURE: 2174800 -123.45 -8.67516 -130.077 14.9977 -241.287 -16.6408 -141.81 107.552 -424.698 PRESSAVG: 2174800 6.71573 -8.4939 -7.24256 -8.49391 16.4614 26.7442 -7.24258 26.7441 -30.2526 GPRESSAVG: 2174800 6.65766 -10.8208 -5.34529 -6.40296 17.2505 26.4099 -7.77834 28.2871 -30.8413 TIMING: 2174800 CPU: 6474.14, 0.00298115/step Wall: 6474.14, 0.00298115/step, 2.33954 hours remaining, 206.128906 MB of memory in use. ENERGY: 2174800 769.8413 2130.7170 1938.5555 113.1028 -205738.9059 17542.8216 0.0000 0.0000 34228.8479 -149015.0197 298.9290 -183243.8676 -148928.6286 299.2165 -298.4715 -263.1450 560649.3472 -2.3585 -2.3111 PRESSURE: 2175000 -169.31 -108.197 -226.043 -108.197 -277.582 -245.077 -226.043 -245.079 64.004 GPRESSURE: 2175000 -174.868 -174.98 -187.027 -62.4687 -234.351 -239.113 -204.923 -228.889 128.798 PRESSAVG: 2175000 6.23559 40.6476 -32.0965 40.6476 -8.08336 -36.5097 -32.0964 -36.5097 16.0042 GPRESSAVG: 2175000 5.99802 40.9508 -32.8515 39.3355 -7.72966 -37.1422 -32.1229 -35.3536 15.5908 TIMING: 2175000 CPU: 6474.73, 0.00296439/step Wall: 6474.73, 0.00296439/step, 2.32622 hours remaining, 206.128906 MB of memory in use. ENERGY: 2175000 731.0198 2145.9193 1901.7945 124.2106 -205764.9885 17639.3334 0.0000 0.0000 34327.0193 -148895.6916 299.7864 -183222.7110 -148796.5763 299.8683 -127.6294 -93.4738 558473.9821 4.7188 4.6197 PRESSURE: 2175200 34.8263 78.3995 66.6124 78.3995 -108.435 -31.5983 66.6104 -31.5967 -105.51 GPRESSURE: 2175200 75.0821 62.6541 -76.2945 45.2998 -50.8396 33.1918 37.9164 -47.8893 -120.215 PRESSAVG: 2175200 47.3163 12.346 14.7144 12.3462 -69.5187 -40.1938 14.7144 -40.1937 18.9675 GPRESSAVG: 2175200 46.6853 13.2414 14.6956 13.1839 -68.3446 -40.9683 13.2766 -40.7348 18.1997 TIMING: 2175200 CPU: 6475.33, 0.00299567/step Wall: 6475.33, 0.00299567/step, 2.3506 hours remaining, 206.128906 MB of memory in use. ENERGY: 2175200 766.8643 2120.0357 1918.8086 111.9169 -205933.8130 17777.0392 0.0000 0.0000 34238.7517 -149000.3966 299.0155 -183239.1483 -148908.2533 300.6055 -59.7062 -31.9908 556503.8727 -1.0783 -1.1532 PRESSURE: 2175400 -83.9987 65.8169 89.5194 65.8189 3.62918 16.2345 89.5187 16.2342 -24.6047 GPRESSURE: 2175400 -21.5025 45.9547 97.086 97.0508 68.0085 54.1759 105.537 46.5206 -49.2261 PRESSAVG: 2175400 2.96448 40.3841 -4.71268 40.3842 -11.5152 1.28177 -4.71261 1.28175 -2.67579 GPRESSAVG: 2175400 3.5501 41.7354 -4.18252 39.3477 -11.9866 1.4583 -2.78603 0.781908 -3.15282 TIMING: 2175400 CPU: 6475.92, 0.00297724/step Wall: 6475.92, 0.00297724/step, 2.33597 hours remaining, 206.128906 MB of memory in use. ENERGY: 2175400 804.3393 2101.6316 1923.3311 110.1949 -205998.5675 17832.5897 0.0000 0.0000 34380.3649 -148846.1161 300.2523 -183226.4809 -148750.9256 300.2959 -34.9914 -0.9067 556116.1232 -3.7422 -3.8631 PRESSURE: 2175600 146.195 83.0821 -53.0146 83.08 150.993 217.67 -53.016 217.669 -153.761 GPRESSURE: 2175600 157.664 -14.401 -9.7145 30.2879 161.254 213.685 -37.2502 251.133 -85.326 PRESSAVG: 2175600 32.3213 51.7384 -68.5611 51.7384 -40.9348 40.5976 -68.5611 40.5976 -16.4789 GPRESSAVG: 2175600 31.056 49.6768 -68.3648 53.5026 -41.4644 38.8176 -68.9373 42.2565 -14.6063 TIMING: 2175600 CPU: 6476.52, 0.00298461/step Wall: 6476.52, 0.00298461/step, 2.3416 hours remaining, 206.128906 MB of memory in use. ENERGY: 2175600 729.2071 2160.1605 1939.0870 116.6003 -206273.8836 17845.9897 0.0000 0.0000 34393.0054 -149089.8337 300.3627 -183482.8391 -148992.2063 299.8297 47.8088 77.8641 557557.7257 -8.3642 -8.3382 PRESSURE: 2175800 -111.307 75.7523 -42.3634 75.7526 -148.13 -33.7206 -42.3639 -33.72 27.4361 GPRESSURE: 2175800 -110.797 46.504 6.42869 81.1065 -82.4165 -37.719 4.24458 -0.629218 52.9464 PRESSAVG: 2175800 54.3692 4.37977 -47.6575 4.37976 -82.9727 -16.2395 -47.6576 -16.2396 -1.87639 GPRESSAVG: 2175800 54.8435 5.72305 -47.6555 2.83655 -82.6795 -15.6122 -47.1684 -16.7705 -2.5925 TIMING: 2175800 CPU: 6477.12, 0.00301602/step Wall: 6477.12, 0.00301602/step, 2.36607 hours remaining, 206.128906 MB of memory in use. ENERGY: 2175800 770.3366 2112.1767 1971.2517 113.8632 -206092.9717 17739.9148 0.0000 0.0000 34310.5575 -149074.8712 299.6426 -183385.4287 -148984.2815 299.7098 -77.3338 -46.7556 557170.6989 -10.1600 -10.1428 PRESSURE: 2176000 -145.957 -90.1918 -11.4352 -90.1928 -11.897 -117.532 -11.4351 -117.533 -20.1688 GPRESSURE: 2176000 -120.453 -165.179 63.2407 -41.5152 54.0522 -79.7473 -76.9979 -89.3663 -18.6735 PRESSAVG: 2176000 -28.0229 59.3393 15.325 59.3393 20.735 -52.5806 15.325 -52.5807 13.765 GPRESSAVG: 2176000 -28.6379 57.2785 15.5905 61.704 19.8652 -50.5117 14.1693 -53.8985 14.7244 TIMING: 2176000 CPU: 6477.72, 0.00299025/step Wall: 6477.72, 0.00299025/step, 2.34568 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: 2176000 747.3276 2145.5166 1910.9666 120.2462 -205717.4388 17655.1511 0.0000 0.0000 34211.1840 -148927.0467 298.7748 -183138.2307 -148831.0271 299.9248 -59.3410 -28.3581 557544.8588 2.1590 1.9839 PRESSURE: 2176200 -69.6857 -14.4025 -260.763 -14.4041 -103.374 62.1153 -260.763 62.115 8.99877 GPRESSURE: 2176200 -68.4009 -58.2232 -246.547 -29.5123 -46.3922 91.8287 -247.239 45.9535 45.6989 PRESSAVG: 2176200 17.756 30.2265 28.8118 30.2263 19.7389 -7.23095 28.8118 -7.23097 -21.9218 GPRESSAVG: 2176200 17.8818 29.6524 27.9419 31.0594 19.1739 -11.2292 30.8033 -4.3704 -21.2686 TIMING: 2176200 CPU: 6478.32, 0.00299412/step Wall: 6478.32, 0.00299412/step, 2.34855 hours remaining, 206.128906 MB of memory in use. ENERGY: 2176200 735.9709 2128.6590 1917.6708 115.4379 -205961.5604 17684.2039 0.0000 0.0000 34304.5437 -149075.0742 299.5901 -183379.6179 -148982.4271 299.9802 -54.6870 -23.0314 557525.2024 5.1910 5.2623 LDB: ============= START OF LOAD BALANCING ============== 6481.75 LDB: ============== END OF LOAD BALANCING =============== 6481.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6481.75 LDB: ============= START OF LOAD BALANCING ============== 6482.05 LDB: Largest compute 4849 load 0.027262 is 23.1% of average load 0.118111 LDB: Average compute 0.001721 is 1.5% of average load 0.118111 LDB: TIME 6482.05 LOAD: AVG 0.118111 MAX 0.204089 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.426 MB LDB: TIME 6482.05 LOAD: AVG 0.118111 MAX 0.204089 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 6482.05 LOAD: AVG 0.118111 MAX 0.204089 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6482.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6482.06 PRESSURE: 2176400 56.6441 177.859 57.3739 177.86 -17.3855 7.44436 57.3738 7.44484 -27.5786 GPRESSURE: 2176400 73.9971 252.048 66.2624 172.102 20.6958 49.5597 142.151 -91.7525 20.4076 PRESSAVG: 2176400 15.4331 48.7284 -35.8868 48.7284 31.7302 13.2741 -35.8869 13.2741 8.0517 GPRESSAVG: 2176400 15.1633 51.2023 -33.7988 45.3847 32.8435 15.3863 -36.6465 13.3535 6.66666 TIMING: 2176400 CPU: 6478.93, 0.00303381/step Wall: 6478.93, 0.00303381/step, 2.37951 hours remaining, 205.734375 MB of memory in use. ENERGY: 2176400 736.7162 2101.3973 1963.7382 123.4164 -206389.5182 17892.3743 0.0000 0.0000 34366.7592 -149205.1166 300.1335 -183571.8758 -149107.4761 299.8073 3.8933 38.3668 556134.4417 18.4050 18.2245 PRESSURE: 2176600 -128.183 115.797 -151.065 115.797 -9.58104 52.9399 -151.064 52.9406 -111.197 GPRESSURE: 2176600 -113.356 91.8437 -203.171 134.379 10.075 113.396 -157.128 40.2678 -47.7448 PRESSAVG: 2176600 -23.5111 50.0666 -57.1511 50.0666 30.2588 -16.6171 -57.151 -16.6172 23.4694 GPRESSAVG: 2176600 -24.1868 48.6284 -60.7519 51.133 30.3431 -15.4226 -57.5299 -15.9197 24.4766 TIMING: 2176600 CPU: 6479.52, 0.00298858/step Wall: 6479.52, 0.00298858/step, 2.34387 hours remaining, 205.734375 MB of memory in use. ENERGY: 2176600 735.4277 2122.2907 1956.4949 112.3840 -206146.1440 17776.0279 0.0000 0.0000 34273.9060 -149169.6128 299.3225 -183443.5189 -149075.1695 299.3700 -82.9869 -50.3418 556426.3950 10.0724 10.2110 PRESSURE: 2176800 162.891 -95.8709 30.6362 -95.8717 -20.4531 -34.9228 30.636 -34.9225 34.492 GPRESSURE: 2176800 200.582 -28.2541 -12.6574 -120.76 35.9783 -75.2963 70.62 23.4067 24.5208 PRESSAVG: 2176800 -11.7234 -0.208543 -13.9487 -0.208569 7.30763 1.93659 -13.9487 1.93655 21.5752 GPRESSAVG: 2176800 -9.89564 1.77833 -10.9047 -0.873944 7.38626 2.00214 -14.0906 -0.423006 19.3324 TIMING: 2176800 CPU: 6480.12, 0.00296529/step Wall: 6480.12, 0.00296529/step, 2.32545 hours remaining, 205.734375 MB of memory in use. ENERGY: 2176800 717.4733 2090.3813 1962.1763 119.1026 -206102.9123 17719.8677 0.0000 0.0000 34247.0486 -149246.8625 299.0880 -183493.9111 -149155.3285 299.6371 58.9764 87.0271 555608.9926 5.7198 5.6077 PRESSURE: 2177000 -3.2123 107.706 -22.262 107.706 -174.429 1.0425 -22.2616 1.04126 -252.151 GPRESSURE: 2177000 70.7127 94.3204 -99.7205 131.761 -200.847 37.4391 -41.3309 16.3429 -207.675 PRESSAVG: 2177000 29.3696 46.0707 13.6219 46.0708 -21.1937 -1.15607 13.6218 -1.1561 9.45912 GPRESSAVG: 2177000 29.5803 45.829 12.1553 46.582 -21.4991 -2.9596 13.9265 0.814139 9.78577 TIMING: 2177000 CPU: 6480.72, 0.00303488/step Wall: 6480.72, 0.00303488/step, 2.37985 hours remaining, 205.734375 MB of memory in use. ENERGY: 2177000 766.4089 2134.9410 1914.8535 114.6721 -205773.1139 17359.7835 0.0000 0.0000 34232.3600 -149250.0950 298.9597 -183482.4550 -149150.5610 299.5251 -143.2641 -112.6032 556466.1996 5.8784 5.9557 PRESSURE: 2177200 -153.193 174.88 224.985 174.88 161.14 -2.82056 224.986 -2.8201 144.45 GPRESSURE: 2177200 -76.0998 128.556 287.919 304.48 169.47 -86.9486 76.8069 -66.4745 152.016 PRESSAVG: 2177200 -2.76646 21.4784 26.0379 21.4784 -0.169828 19.1419 26.0378 19.142 -2.84216 GPRESSAVG: 2177200 -3.08505 20.8448 27.1107 23.2042 0.933148 21.7306 24.9332 14.5282 -3.34939 TIMING: 2177200 CPU: 6481.33, 0.00300532/step Wall: 6481.33, 0.00300532/step, 2.35651 hours remaining, 205.734375 MB of memory in use. ENERGY: 2177200 741.4993 2121.1507 1925.3979 114.5474 -206152.3498 17738.5630 0.0000 0.0000 34172.4476 -149338.7438 298.4365 -183511.1915 -149246.3212 298.1325 50.7992 81.7954 555359.0689 -1.9261 -1.8338 PRESSURE: 2177400 -113.89 -53.697 -34.1238 -53.698 -52.318 77.1724 -34.1246 77.1731 159.399 GPRESSURE: 2177400 -100.681 -84.8719 -65.8168 25.2126 -9.98128 183.513 0.819925 139.172 202.67 PRESSAVG: 2177400 -7.24587 21.3789 -26.6081 21.3789 51.3258 10.4136 -26.6081 10.4136 -24.1071 GPRESSAVG: 2177400 -7.90455 20.1106 -27.1179 20.5431 50.688 8.50601 -27.7802 13.9606 -22.7409 TIMING: 2177400 CPU: 6481.92, 0.00297706/step Wall: 6481.92, 0.00297706/step, 2.33418 hours remaining, 205.734375 MB of memory in use. ENERGY: 2177400 711.2083 2113.4974 1943.0432 125.1993 -206034.9558 17642.9280 0.0000 0.0000 34118.9336 -149380.1459 297.9691 -183499.0795 -149278.0215 298.7539 -2.2697 30.6695 556653.3791 6.6576 6.6808 PRESSURE: 2177600 108.907 50.1198 -2.61343 50.1193 1.86163 -6.58255 -2.61231 -6.58256 14.3467 GPRESSURE: 2177600 156.729 29.8678 -9.80554 62.9132 3.72843 66.4805 -0.0823076 -52.8022 60.1595 PRESSAVG: 2177600 -39.8578 -20.2815 -20.7371 -20.2815 -36.2354 65.2689 -20.7371 65.2691 39.6337 GPRESSAVG: 2177600 -40.5896 -19.1779 -21.3325 -20.7235 -34.744 66.0023 -18.2616 63.548 39.1121 TIMING: 2177600 CPU: 6482.52, 0.00296952/step Wall: 6482.52, 0.00296952/step, 2.3281 hours remaining, 205.734375 MB of memory in use. ENERGY: 2177600 780.7769 2146.7377 1905.3885 108.8657 -206300.0647 17863.0494 0.0000 0.0000 34150.1570 -149345.0895 298.2418 -183495.2465 -149246.9530 298.8167 41.7052 73.5390 557090.4976 -12.1532 -12.0738 PRESSURE: 2177800 10.3033 -83.1943 -98.3324 -83.1945 29.276 37.5829 -98.3316 37.5822 -118.567 GPRESSURE: 2177800 65.5824 -162.962 -80.9292 -16.1579 50.314 -31.3959 -130.473 79.8566 -94.8189 PRESSAVG: 2177800 -52.9384 9.18574 23.842 9.18573 70.0866 40.2986 23.8421 40.2986 -10.9152 GPRESSAVG: 2177800 -50.7356 11.6419 23.3054 7.60504 68.8144 39.4905 23.1561 40.9832 -10.8659 TIMING: 2177800 CPU: 6483.11, 0.00297099/step Wall: 6483.11, 0.00297099/step, 2.32909 hours remaining, 205.734375 MB of memory in use. ENERGY: 2177800 756.9221 2105.8164 1898.7361 128.2180 -206230.6794 17836.9624 0.0000 0.0000 34224.0037 -149280.0206 298.8867 -183504.0243 -149182.9007 299.0224 -26.3291 7.0259 557460.6193 2.0777 2.4043 PRESSURE: 2178000 -51.5951 129.779 56.6234 129.779 27.2189 -108.674 56.623 -108.676 -113.02 GPRESSURE: 2178000 -70.1119 127.702 29.3197 172.089 50.5865 -164.343 105.112 -32.4726 -27.2217 PRESSAVG: 2178000 17.0648 -20.7089 -7.60243 -20.7089 42.6839 31.6334 -7.60243 31.6335 -34.892 GPRESSAVG: 2178000 15.6898 -22.4114 -5.85889 -21.1141 42.8012 31.0729 -7.86748 31.5987 -33.8534 TIMING: 2178000 CPU: 6483.71, 0.00297915/step Wall: 6483.71, 0.00297915/step, 2.33532 hours remaining, 205.734375 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: 2178000 743.4029 2017.9214 1915.9189 109.7377 -206230.1425 17810.2492 0.0000 0.0000 34280.7682 -149352.1442 299.3825 -183632.9123 -149248.6837 298.6911 -45.7987 -15.5824 556850.0264 8.2856 8.2125 PRESSURE: 2178200 7.30232 7.09419 31.2214 7.09425 -117.9 -91.679 31.2211 -91.6773 -53.3645 GPRESSURE: 2178200 -18.7344 73.6616 24.9126 -9.74227 -48.6026 -135.856 71.8569 -67.5023 -11.0229 PRESSAVG: 2178200 5.76415 16.2569 23.0323 16.2568 25.321 -42.6169 23.0323 -42.6169 6.35285 GPRESSAVG: 2178200 6.37248 14.9134 22.9211 18.849 25.5737 -40.722 22.695 -43.2755 5.59362 TIMING: 2178200 CPU: 6484.3, 0.00297576/step Wall: 6484.3, 0.00297576/step, 2.3325 hours remaining, 205.734375 MB of memory in use. ENERGY: 2178200 772.8341 2070.4761 1908.8748 103.3155 -205691.9420 17646.4553 0.0000 0.0000 34071.4001 -149118.5860 297.5540 -183189.9861 -149016.0666 299.1241 -54.6541 -26.1200 558487.3120 12.4793 12.5133 PRESSURE: 2178400 -289.203 60.3244 250.623 60.3231 280.164 -18.373 250.623 -18.3721 -81.7551 GPRESSURE: 2178400 -294.122 143.13 259.67 72.0573 313.337 12.7388 191.985 66.289 -33.6254 PRESSAVG: 2178400 -67.8932 69.4905 0.835749 69.4907 25.6648 -22.389 0.835722 -22.389 44.1082 GPRESSAVG: 2178400 -68.5431 70.2689 1.86315 69.682 25.7981 -21.5451 2.35997 -22.4232 43.9097 TIMING: 2178400 CPU: 6484.9, 0.0029803/step Wall: 6484.9, 0.0029803/step, 2.33589 hours remaining, 205.734375 MB of memory in use. ENERGY: 2178400 746.2497 2092.0494 1936.8271 106.8996 -206259.3897 17759.1249 0.0000 0.0000 34571.2943 -149046.9448 301.9197 -183618.2391 -148947.2779 299.4100 -30.2648 -4.8034 557895.0459 0.6266 0.3882 PRESSURE: 2178600 43.9378 10.0733 -187.006 10.0728 130.085 84.0971 -187.006 84.0972 -7.22293 GPRESSURE: 2178600 76.235 63.3657 -197.988 -5.49498 153.826 137.165 -225.027 8.81858 40.2935 PRESSAVG: 2178600 -56.5412 -12.6343 43.087 -12.6344 -1.36548 -35.9507 43.087 -35.9507 4.88926 GPRESSAVG: 2178600 -55.9557 -13.508 42.4976 -11.8621 -3.27031 -37.5045 42.0188 -35.4566 5.73498 TIMING: 2178600 CPU: 6485.49, 0.00298517/step Wall: 6485.49, 0.00298517/step, 2.33954 hours remaining, 205.734375 MB of memory in use. ENERGY: 2178600 720.9674 2123.3641 1932.9498 107.5250 -206289.3904 17991.4147 0.0000 0.0000 34268.8428 -149144.3264 299.2783 -183413.1692 -149040.8715 299.7843 55.6000 90.1181 558243.6204 -17.6725 -17.8303 PRESSURE: 2178800 -271.017 -123.676 -12.7019 -123.676 -69.8569 -108.163 -12.7022 -108.162 0.413312 GPRESSURE: 2178800 -254.515 -122.469 -91.6455 -199.226 -30.7229 -112.382 65.7006 -66.708 40.5878 PRESSAVG: 2178800 23.1626 -1.40936 -22.118 -1.40932 -18.0942 1.77729 -22.118 1.77744 -33.3576 GPRESSAVG: 2178800 23.1141 -0.464457 -21.2878 -2.33302 -16.2807 2.96707 -22.9996 1.43734 -34.8891 TIMING: 2178800 CPU: 6486.09, 0.00295916/step Wall: 6486.09, 0.00295916/step, 2.319 hours remaining, 205.734375 MB of memory in use. ENERGY: 2178800 751.6681 2143.3531 1931.1102 106.6799 -206079.8818 17954.0083 0.0000 0.0000 34071.5083 -149121.5538 297.5550 -183193.0621 -149025.0838 299.3033 -113.4868 -81.5501 559689.9800 -9.4297 -9.3519 PRESSURE: 2179000 -85.1012 24.0484 69.4842 24.0481 -277.983 32.9079 69.4832 32.9073 188.96 GPRESSURE: 2179000 -52.3007 19.2288 82.92 37.7137 -216.724 45.0206 18.6129 -80.1099 179.356 PRESSAVG: 2179000 -3.5435 -75.1185 -34.769 -75.1184 -7.04624 -65.8011 -34.7689 -65.8012 -3.65134 GPRESSAVG: 2179000 -3.78839 -75.6238 -38.3924 -75.2245 -6.85871 -65.2557 -33.3431 -67.3176 -3.73799 TIMING: 2179000 CPU: 6486.69, 0.0030007/step Wall: 6486.69, 0.0030007/step, 2.35139 hours remaining, 205.734375 MB of memory in use. ENERGY: 2179000 737.0338 2093.0818 1926.7314 115.3808 -206065.8085 17909.8112 0.0000 0.0000 34182.0572 -149101.7125 298.5204 -183283.7697 -149008.3267 299.7513 -58.0414 -29.8894 559390.1691 -4.7470 -4.7950 PRESSURE: 2179200 150.968 13.5378 89.5063 13.538 -103.789 -94.9881 89.509 -94.9875 -197.286 GPRESSURE: 2179200 167.327 18.3058 192.545 -145.968 -49.3034 -66.0967 4.40515 -41.7498 -178.359 PRESSAVG: 2179200 -30.952 10.0843 36.437 10.0842 5.37115 41.8253 36.4371 41.8252 -1.29642 GPRESSAVG: 2179200 -32.4426 11.4262 39.3121 8.63436 5.07193 40.9458 33.8249 41.6917 0.464191 TIMING: 2179200 CPU: 6487.28, 0.00297323/step Wall: 6487.28, 0.00297323/step, 2.32969 hours remaining, 205.734375 MB of memory in use. ENERGY: 2179200 712.2653 2084.2318 1937.6392 108.3593 -205944.5166 17658.5785 0.0000 0.0000 34292.0501 -149151.3924 299.4810 -183443.4426 -149052.0242 299.3389 -50.0358 -20.1118 556865.4557 -8.9591 -8.9688 PRESSURE: 2179400 -12.161 27.3428 133.462 27.3429 18.1355 140.457 133.463 140.458 159.299 GPRESSURE: 2179400 42.6131 79.2843 86.6005 27.4888 8.59926 98.9381 158.739 151.329 216.792 PRESSAVG: 2179400 -35.4457 63.0169 27.9421 63.017 49.4398 12.1992 27.9421 12.1992 31.9254 GPRESSAVG: 2179400 -33.7513 60.5499 27.7305 66.5 48.6823 12.7193 29.508 13.3331 31.3463 TIMING: 2179400 CPU: 6487.88, 0.00298905/step Wall: 6487.88, 0.00298905/step, 2.34192 hours remaining, 205.734375 MB of memory in use. ENERGY: 2179400 761.7023 2102.3660 1936.5298 106.8424 -206248.7778 17849.0259 0.0000 0.0000 34392.8666 -149099.4448 300.3615 -183492.3114 -149006.5373 299.8910 55.0911 89.3350 557442.8334 15.3065 15.4257 PRESSURE: 2179600 74.1751 196.879 -10.4248 196.88 73.8762 -21.863 -10.4246 -21.8633 -198.212 GPRESSURE: 2179600 93.7299 169.463 0.805333 189.026 113.654 -49.3362 -16.9662 -39.911 -169.911 PRESSAVG: 2179600 -14.0509 43.7319 3.07627 43.7319 30.3767 -3.93015 3.07637 -3.93009 -28.7161 GPRESSAVG: 2179600 -14.8358 46.0255 1.41722 41.7796 31.2998 -5.7973 4.04554 -3.32968 -28.2513 TIMING: 2179600 CPU: 6488.47, 0.00297896/step Wall: 6488.47, 0.00297896/step, 2.33385 hours remaining, 205.734375 MB of memory in use. ENERGY: 2179600 751.3762 2091.6980 1941.3641 114.2726 -205886.1042 17727.9294 0.0000 0.0000 34377.5475 -148881.9163 300.2277 -183259.4639 -148784.0838 300.8517 -16.7203 12.4908 558017.1106 -4.1301 -3.9291 PRESSURE: 2179800 149.675 -153.606 127.419 -153.605 23.8507 -104.805 127.42 -104.807 136.225 GPRESSURE: 2179800 134.153 -79.2869 101.782 -203.665 88.6765 -91.7466 121.592 -90.1898 170.639 PRESSAVG: 2179800 8.96452 -17.9581 -57.6127 -17.9581 36.8403 -29.9065 -57.6126 -29.9065 -14.0262 GPRESSAVG: 2179800 8.77386 -16.9525 -58.6327 -17.8345 36.6721 -29.891 -57.6168 -28.1121 -13.7813 TIMING: 2179800 CPU: 6489.07, 0.00297524/step Wall: 6489.07, 0.00297524/step, 2.33077 hours remaining, 205.734375 MB of memory in use. ENERGY: 2179800 733.4730 2089.3530 1933.3573 120.8186 -205815.2692 17866.9109 0.0000 0.0000 34263.6915 -148807.6649 299.2333 -183071.3564 -148708.2436 299.9626 103.2503 131.1562 558715.6628 10.5929 10.5549 PRESSURE: 2180000 -113.89 44.1146 -19.3765 44.1137 72.1036 -84.6856 -19.3763 -84.686 51.3453 GPRESSURE: 2180000 -45.8983 -17.2255 48.1592 65.9636 110.48 -134.653 -34.0952 -102.259 50.5677 PRESSAVG: 2180000 -31.1959 5.46468 21.5932 5.46469 24.3438 -27.5831 21.5932 -27.583 6.43134 GPRESSAVG: 2180000 -30.7057 5.01557 22.3453 5.99694 23.718 -26.6308 21.471 -29.0566 6.69418 TIMING: 2180000 CPU: 6489.67, 0.00298459/step Wall: 6489.67, 0.00298459/step, 2.33793 hours remaining, 205.734375 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: 2180000 762.3649 2076.8478 1942.6997 118.4479 -205678.8997 17681.9184 0.0000 0.0000 34354.7329 -148741.8881 300.0284 -183096.6210 -148643.8254 300.5170 3.1862 38.3833 558672.6649 -0.1402 -0.0978 PRESSURE: 2180200 -19.3954 -21.4797 -162.278 -21.48 -421.613 53.6614 -162.277 53.6613 -54.7689 GPRESSURE: 2180200 15.6219 39.1799 -185.674 -85.7758 -380.677 28.6642 -146.505 -9.14832 -32.9279 PRESSAVG: 2180200 22.2564 4.82494 -43.6501 4.82499 -5.62905 -11.8704 -43.65 -11.8704 1.87911 GPRESSAVG: 2180200 22.6275 4.44013 -44.5933 4.471 -5.33408 -11.7333 -43.7419 -13.962 1.18809 TIMING: 2180200 CPU: 6490.26, 0.00298184/step Wall: 6490.26, 0.00298184/step, 2.33561 hours remaining, 205.734375 MB of memory in use. ENERGY: 2180200 758.8037 2118.3125 1933.3116 108.6106 -205674.2103 17596.5574 0.0000 0.0000 34352.1564 -148806.4583 300.0059 -183158.6147 -148710.2136 300.1817 -165.2592 -132.6611 558918.7295 6.1688 6.1605 LDB: ============= START OF LOAD BALANCING ============== 6493.69 LDB: ============== END OF LOAD BALANCING =============== 6493.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6493.7 LDB: ============= START OF LOAD BALANCING ============== 6494 LDB: Largest compute 4821 load 0.026698 is 22.6% of average load 0.118050 LDB: Average compute 0.001723 is 1.5% of average load 0.118050 LDB: TIME 6494 LOAD: AVG 0.11805 MAX 0.205016 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.762 MB LDB: TIME 6494 LOAD: AVG 0.11805 MAX 0.205016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.832 MB LDB: TIME 6494 LOAD: AVG 0.11805 MAX 0.205016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.832 MB LDB: ============== END OF LOAD BALANCING =============== 6494 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6494 PRESSURE: 2180400 150.451 -17.2788 -16.5545 -17.2774 208.588 -91.0304 -16.5555 -91.0316 -164.633 GPRESSURE: 2180400 169.646 -30.8588 -32.2055 69.0172 236.105 -70.456 -23.8098 -66.1846 -116.802 PRESSAVG: 2180400 55.4829 -4.58868 12.6249 -4.58865 -44.8256 11.8167 12.6249 11.8168 24.4253 GPRESSAVG: 2180400 55.6815 -3.94872 14.2934 -4.67335 -44.0799 10.8067 14.0075 12.9764 23.7806 TIMING: 2180400 CPU: 6490.88, 0.00306492/step Wall: 6490.88, 0.00306492/step, 2.40051 hours remaining, 205.539062 MB of memory in use. ENERGY: 2180400 719.0234 2135.4564 1975.0195 125.1849 -206141.4546 17855.7036 0.0000 0.0000 34384.5824 -148946.4845 300.2891 -183331.0669 -148846.8048 300.7710 64.8021 96.3163 557369.0954 11.6942 11.7941 PRESSURE: 2180600 84.5547 -162.528 34.2332 -162.529 -36.3394 96.4241 34.2333 96.4238 65.7525 GPRESSURE: 2180600 112.137 -112.083 -50.9005 -111.796 8.9255 130.855 110.987 87.8047 92.6375 PRESSAVG: 2180600 -13.2774 -32.1829 11.2433 -32.1829 58.4533 -53.6676 11.2433 -53.6678 -68.8508 GPRESSAVG: 2180600 -13.6796 -32.7382 12.4379 -32.3036 58.4413 -50.7353 9.32475 -55.2371 -67.8714 TIMING: 2180600 CPU: 6491.48, 0.00300465/step Wall: 6491.48, 0.00300465/step, 2.35314 hours remaining, 205.539062 MB of memory in use. ENERGY: 2180600 743.5393 2144.8405 1950.3280 120.2547 -205898.4065 17807.3441 0.0000 0.0000 34270.2155 -148861.8843 299.2903 -183132.0998 -148768.4667 300.4036 37.9893 71.2333 559316.4622 -7.8917 -7.7032 PRESSURE: 2180800 259.584 112.493 42.8792 112.493 176.178 -219.774 42.8798 -219.772 235.978 GPRESSURE: 2180800 283.189 52.2152 31.9523 66.0448 186.006 -101.974 53.1959 -300.734 299.71 PRESSAVG: 2180800 -13.0171 -16.4003 7.84102 -16.4003 -17.6717 -25.7883 7.84095 -25.7884 37.4451 GPRESSAVG: 2180800 -11.3262 -15.4607 5.46998 -16.6209 -17.9595 -27.4363 7.98788 -22.5405 35.9878 TIMING: 2180800 CPU: 6492.08, 0.00301061/step Wall: 6492.08, 0.00301061/step, 2.35765 hours remaining, 205.539062 MB of memory in use. ENERGY: 2180800 743.2300 2155.6075 1939.0718 98.4030 -206479.0688 18166.8266 0.0000 0.0000 34672.8492 -148703.0807 302.8066 -183375.9299 -148609.6358 300.8450 223.9133 256.3016 557812.2803 2.2521 2.2340 PRESSURE: 2181000 -207.928 94.5813 119.996 94.5815 -302.744 -142.54 119.995 -142.539 -123.381 GPRESSURE: 2181000 -246.649 174.447 197.743 30.7957 -224.869 -194.891 54.7207 -78.6294 -65.019 PRESSAVG: 2181000 3.4042 63.9496 -40.3691 63.9496 -38.5989 -25.8103 -40.369 -25.8103 34.3022 GPRESSAVG: 2181000 0.74363 62.9052 -38.9324 64.9783 -37.8844 -26.8359 -40.5899 -27.4846 35.5803 TIMING: 2181000 CPU: 6492.68, 0.00301003/step Wall: 6492.68, 0.00301003/step, 2.35702 hours remaining, 205.539062 MB of memory in use. ENERGY: 2181000 780.5095 2163.6092 1940.9749 117.5617 -205681.2350 17591.9937 0.0000 0.0000 34227.4386 -148859.1474 298.9167 -183086.5860 -148758.8201 300.6416 -211.3508 -178.8457 559898.9967 -0.2975 -0.5201 PRESSURE: 2181200 90.5478 8.78407 18.9192 8.78395 7.76962 69.9379 18.9196 69.9381 -23.8245 GPRESSURE: 2181200 141.66 78.9534 4.503 -64.5772 13.9032 48.3279 38.9478 44.0539 1.47292 PRESSAVG: 2181200 25.0717 -14.6299 -26.9819 -14.6297 -53.3046 35.7887 -26.982 35.7887 -3.59803 GPRESSAVG: 2181200 26.7184 -13.0821 -30.0805 -15.4912 -53.5261 34.0936 -25.9483 37.3188 -4.89463 TIMING: 2181200 CPU: 6493.28, 0.00298451/step Wall: 6493.28, 0.00298451/step, 2.33688 hours remaining, 205.539062 MB of memory in use. ENERGY: 2181200 761.9121 2151.3410 1928.7105 118.2623 -205990.6725 17864.8291 0.0000 0.0000 34270.7793 -148894.8381 299.2952 -183165.6174 -148792.0790 299.7684 24.8310 52.3455 558894.5171 -10.6103 -10.5674 PRESSURE: 2181400 -249.278 114.279 127.45 114.278 89.0874 123.793 127.451 123.793 26.8652 GPRESSURE: 2181400 -150.494 158.724 116.893 15.2514 115.241 141.151 210.838 165.198 -3.28449 PRESSAVG: 2181400 -36.4283 5.58236 2.05823 5.58243 22.5245 -4.18512 2.05826 -4.18515 12.404 GPRESSAVG: 2181400 -36.1931 4.9938 6.2065 5.06949 22.1479 -1.30256 -0.371961 -4.89939 12.6759 TIMING: 2181400 CPU: 6493.88, 0.00300119/step Wall: 6493.88, 0.00300119/step, 2.34976 hours remaining, 205.539062 MB of memory in use. ENERGY: 2181400 753.7536 2129.3481 1916.2797 108.4891 -205893.6479 17682.9272 0.0000 0.0000 34264.2125 -149038.6376 299.2379 -183302.8501 -148932.9245 299.0290 -44.4417 -12.8461 557969.2202 -0.4999 -0.4565 PRESSURE: 2181600 51.2062 99.2841 -46.7203 99.2833 161.229 35.7621 -46.7201 35.7635 345.943 GPRESSURE: 2181600 99.5625 60.4725 -100.476 201.925 196.533 84.2881 -36.5555 -16.5305 359.512 PRESSAVG: 2181600 -10.1944 -6.662 30.5314 -6.66199 1.79526 64.0294 30.5313 64.0294 -31.2052 GPRESSAVG: 2181600 -9.86846 -6.76131 28.997 -5.41395 2.3302 62.0292 32.2059 65.2839 -32.1932 TIMING: 2181600 CPU: 6494.48, 0.00299295/step Wall: 6494.48, 0.00299295/step, 2.34315 hours remaining, 205.539062 MB of memory in use. ENERGY: 2181600 704.5866 2141.4040 1944.3158 118.6235 -206057.7716 17977.3594 0.0000 0.0000 34336.8869 -148834.5954 299.8726 -183171.4823 -148737.0598 299.7588 186.1258 218.5359 557913.2533 -13.2014 -13.2438 PRESSURE: 2181800 -379.172 18.6649 26.8985 18.6648 40.1751 -133.526 26.8987 -133.525 -47.637 GPRESSURE: 2181800 -304.857 65.9288 8.56669 19.1118 40.7038 -141.695 44.9922 -126.483 -25.5565 PRESSAVG: 2181800 -11.4723 6.83334 -11.3059 6.83333 -0.39751 -21.4194 -11.306 -21.4193 1.33726 GPRESSAVG: 2181800 -11.6343 7.08181 -10.2157 6.4771 -1.51416 -19.7277 -11.5205 -24.2163 2.80449 TIMING: 2181800 CPU: 6495.08, 0.00299877/step Wall: 6495.08, 0.00299877/step, 2.34754 hours remaining, 205.539062 MB of memory in use. ENERGY: 2181800 752.8237 2104.2409 1954.4738 125.6491 -205287.2892 17448.6587 0.0000 0.0000 34145.5954 -148755.8476 298.2020 -182901.4430 -148657.5436 300.3549 -128.8781 -96.5698 558091.9912 -3.5108 -3.4480 PRESSURE: 2182000 163.155 -90.1521 -37.6326 -90.1543 138.52 -69.7389 -37.6322 -69.7387 280.771 GPRESSURE: 2182000 198.809 -87.5509 -47.6704 -98.7857 213.966 -138.502 -35.3756 -45.5503 259.614 PRESSAVG: 2182000 -36.5146 -22.0546 -33.5769 -22.0547 65.7115 -31.068 -33.577 -31.068 -39.6094 GPRESSAVG: 2182000 -37.6539 -19.9754 -35.8378 -24.7141 67.0622 -31.6616 -33.2552 -29.8473 -40.4004 TIMING: 2182000 CPU: 6495.67, 0.00299081/step Wall: 6495.67, 0.00299081/step, 2.34114 hours remaining, 205.539062 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: 2182000 720.8837 2084.8528 1979.7020 109.3366 -206093.6964 17978.3008 0.0000 0.0000 34401.8906 -148818.7299 300.4403 -183220.6205 -148725.2330 300.3067 194.1484 224.1299 555688.3443 -3.4708 -3.6640 PRESSURE: 2182200 174.071 20.7578 197.78 20.758 96.1485 4.36985 197.78 4.36837 440.207 GPRESSURE: 2182200 188.265 16.0547 145.409 -12.6085 144.044 -151.207 214.212 36.4688 483.391 PRESSAVG: 2182200 17.0045 51.8257 19.9512 51.8257 -29.6677 39.2085 19.9512 39.2085 41.5392 GPRESSAVG: 2182200 16.8865 50.1314 19.4608 54.2417 -28.3 38.8103 19.7679 40.5261 40.3695 TIMING: 2182200 CPU: 6496.27, 0.00298458/step Wall: 6496.27, 0.00298458/step, 2.3361 hours remaining, 205.539062 MB of memory in use. ENERGY: 2182200 710.0595 2105.5596 1957.9249 110.1229 -206298.1636 17996.2999 0.0000 0.0000 34257.9612 -149160.2356 299.1833 -183418.1967 -149061.7002 299.9782 236.8088 271.9003 555253.1409 9.6253 9.6520 PRESSURE: 2182400 19.2036 194.948 -56.957 194.948 37.7103 70.6237 -56.9558 70.6247 112.076 GPRESSURE: 2182400 30.3151 200.775 -12.3195 141.754 81.5997 46.3312 -48.343 68.9136 160.121 PRESSAVG: 2182400 55.4375 18.4243 -24.0124 18.4244 -21.586 32.7706 -24.0124 32.7706 10.1478 GPRESSAVG: 2182400 54.4675 18.6057 -22.2358 17.7145 -22.2109 31.8325 -24.8847 32.5623 11.4481 TIMING: 2182400 CPU: 6496.87, 0.002997/step Wall: 6496.87, 0.002997/step, 2.34565 hours remaining, 205.539062 MB of memory in use. ENERGY: 2182400 730.8614 2108.5856 1958.4109 104.9564 -206312.6924 17819.8877 0.0000 0.0000 34381.1167 -149208.8739 300.2588 -183589.9906 -149116.4109 299.9587 56.3301 90.6786 557437.9524 14.6664 14.5682 PRESSURE: 2182600 350.329 87.7627 -27.6131 87.7628 -31.1745 -33.399 -27.6129 -33.399 -25.0098 GPRESSURE: 2182600 404.689 117.048 -32.9485 136.738 -61.6398 -28.6797 -23.0264 -36.2719 40.1652 PRESSAVG: 2182600 -15.7677 22.5006 -23.8103 22.5005 92.1184 -4.28925 -23.8102 -4.28932 -22.0006 GPRESSAVG: 2182600 -15.938 21.7355 -25.3448 24.8896 92.8814 -3.41893 -22.234 -1.57233 -22.4508 TIMING: 2182600 CPU: 6497.47, 0.002983/step Wall: 6497.47, 0.002983/step, 2.33453 hours remaining, 205.539062 MB of memory in use. ENERGY: 2182600 770.2398 2137.3525 1927.3236 123.4375 -206558.0431 18196.7941 0.0000 0.0000 34296.6950 -149106.2007 299.5216 -183402.8957 -149018.0136 299.2682 98.0481 127.7382 559140.2580 18.1167 18.1642 PRESSURE: 2182800 -376.811 56.0169 115.884 56.0172 -0.950224 100.18 115.884 100.179 73.991 GPRESSURE: 2182800 -365.671 20.4083 119.868 128.55 82.3196 76.366 88.9467 179.581 80.5516 PRESSAVG: 2182800 -33.8661 57.8653 -42.4158 57.8653 95.5207 3.42085 -42.4158 3.42077 -84.7897 GPRESSAVG: 2182800 -32.6107 56.5133 -42.1308 56.3568 93.9898 3.45476 -43.3305 0.164519 -83.7761 TIMING: 2182800 CPU: 6498.06, 0.00298176/step Wall: 6498.06, 0.00298176/step, 2.33339 hours remaining, 205.539062 MB of memory in use. ENERGY: 2182800 739.4820 2124.0535 1907.0476 106.1378 -206009.6748 17589.5790 0.0000 0.0000 34323.1082 -149220.2666 299.7522 -183543.3748 -149123.3601 299.0815 -101.2566 -67.5998 558602.5622 -7.7117 -7.4656 PRESSURE: 2183000 -125.494 -35.677 73.031 -35.6772 -56.9158 -73.0694 73.0295 -73.0677 -145.204 GPRESSURE: 2183000 -81.2924 1.47756 106.147 -45.4875 -37.8263 -164.404 31.2623 -45.217 -115.347 PRESSAVG: 2183000 -20.5901 80.6343 -23.2587 80.6343 59.9814 -17.5854 -23.2587 -17.5854 -29.8925 GPRESSAVG: 2183000 -21.8343 81.2929 -22.27 80.302 61.2984 -18.0805 -21.7559 -16.3784 -29.6214 TIMING: 2183000 CPU: 6498.66, 0.00296884/step Wall: 6498.66, 0.00296884/step, 2.32312 hours remaining, 205.539062 MB of memory in use. ENERGY: 2183000 747.0837 2063.7753 1931.9619 114.6347 -205854.6957 17566.6366 0.0000 0.0000 34271.6760 -149158.9276 299.3031 -183430.6036 -149055.3444 299.6035 -109.2046 -78.1553 557173.4575 3.1662 3.2809 PRESSURE: 2183200 126.925 175.584 10.0984 175.585 13.203 -111.077 10.0993 -111.077 -111.15 GPRESSURE: 2183200 80.3832 161.91 -70.3179 142.553 77.3421 -69.556 52.2773 -93.1358 -31.6928 PRESSAVG: 2183200 -20.8789 38.3516 15.3833 38.3516 24.6797 -48.2487 15.3834 -48.2487 -30.1263 GPRESSAVG: 2183200 -19.5275 38.9948 17.0405 37.9152 23.6929 -48.6058 12.8563 -47.799 -29.9851 TIMING: 2183200 CPU: 6499.25, 0.00295503/step Wall: 6499.25, 0.00295503/step, 2.31215 hours remaining, 205.539062 MB of memory in use. ENERGY: 2183200 752.0251 2034.0553 1942.6585 118.9507 -206363.7858 17957.8253 0.0000 0.0000 34377.7140 -149180.5567 300.2291 -183558.2708 -149087.0606 299.2574 9.6593 42.0108 558134.4535 -8.7751 -8.6066 PRESSURE: 2183400 313.497 131.213 -183.193 131.212 -35.7361 32.9113 -183.194 32.9113 -2.1058 GPRESSURE: 2183400 325.902 138.872 -161.202 144.589 39.0336 -8.09954 -193.586 20.1806 7.07897 PRESSAVG: 2183400 51.1757 -5.08242 -55.3656 -5.08237 2.66584 26.1232 -55.3656 26.123 12.2041 GPRESSAVG: 2183400 51.4291 -5.87941 -56.8279 -4.79607 4.24814 28.3116 -53.4233 24.2038 10.1178 TIMING: 2183400 CPU: 6499.85, 0.00299331/step Wall: 6499.85, 0.00299331/step, 2.34193 hours remaining, 205.539062 MB of memory in use. ENERGY: 2183400 709.5164 2126.4278 1907.9651 102.9987 -206225.5683 17895.1013 0.0000 0.0000 34203.0438 -149280.5153 298.7037 -183483.5591 -149183.1603 299.4636 91.8850 124.0050 555971.4278 22.0152 21.9317 PRESSURE: 2183600 110.115 -100.199 40.8944 -100.2 14.1974 -73.0339 40.895 -73.0332 128.267 GPRESSURE: 2183600 173.08 -232.668 27.9032 -147.032 34.2269 26.4991 30.533 -132.772 141.126 PRESSAVG: 2183600 17.0534 -12.6722 -4.64841 -12.6722 -7.39112 -6.55375 -4.64847 -6.55371 -12.1783 GPRESSAVG: 2183600 17.0945 -12.5443 -4.57449 -11.3532 -8.90879 -7.0909 -5.73073 -6.80316 -11.4378 TIMING: 2183600 CPU: 6500.44, 0.00297999/step Wall: 6500.44, 0.00297999/step, 2.33134 hours remaining, 205.539062 MB of memory in use. ENERGY: 2183600 709.7741 2091.2682 1951.4496 122.2560 -205976.8924 17801.4622 0.0000 0.0000 34119.3415 -149181.3408 297.9727 -183300.6823 -149082.4354 299.0471 84.1931 116.1442 557587.7701 -0.8387 -1.0840 PRESSURE: 2183800 -61.4933 125.175 40.1297 125.174 205.68 222.871 40.1298 222.87 356.007 GPRESSURE: 2183800 -53.3944 102.68 47.2889 161.586 242.235 250.323 51.8514 219.594 408.547 PRESSAVG: 2183800 -17.7563 -43.9744 -20.136 -43.9745 -54.2681 22.0906 -20.136 22.0906 78.768 GPRESSAVG: 2183800 -18.6443 -43.4471 -18.9676 -45.9145 -54.292 22.776 -17.0459 20.9756 79.895 TIMING: 2183800 CPU: 6501.05, 0.00302703/step Wall: 6501.05, 0.00302703/step, 2.36798 hours remaining, 205.539062 MB of memory in use. ENERGY: 2183800 733.2895 2086.9005 1967.1787 112.7354 -206310.0065 18048.8325 0.0000 0.0000 34250.1635 -149110.9065 299.1152 -183361.0699 -149016.6678 299.1493 166.7314 199.1294 556722.8400 2.2479 2.3196 PRESSURE: 2184000 -364.226 28.3942 -121.083 28.393 -14.9251 138.627 -121.083 138.627 -85.0768 GPRESSURE: 2184000 -309.213 -8.04168 -175.454 59.2998 -0.0928775 139.525 -86.0788 120.279 -50.1957 PRESSAVG: 2184000 -1.94659 -48.4723 9.69986 -48.4723 0.316942 98.1297 9.69988 98.1297 2.87028 GPRESSAVG: 2184000 -2.73675 -47.72 5.12212 -47.972 1.68433 95.8989 11.4404 99.8815 2.22122 TIMING: 2184000 CPU: 6501.65, 0.00300133/step Wall: 6501.65, 0.00300133/step, 2.34771 hours remaining, 205.539062 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: 2184000 740.7913 2131.0920 1914.1998 106.2648 -205677.5512 17497.8563 0.0000 0.0000 34340.6814 -148946.6657 299.9057 -183287.3471 -148851.3843 299.6399 -154.7427 -119.8338 558251.4149 0.4135 0.3896 PRESSURE: 2184200 -64.6269 0.755684 -79.3914 0.754626 306.833 -26.8634 -79.3916 -26.864 4.28743 GPRESSURE: 2184200 -29.9242 32.2626 -28.9426 -16.9967 351.115 56.6966 -92.7122 -92.4125 17.2883 PRESSAVG: 2184200 -17.1036 35.2061 13.9032 35.2061 51.8334 7.65389 13.9031 7.65376 -30.606 GPRESSAVG: 2184200 -16.502 35.212 19.1023 35.8777 49.8939 8.58302 8.00443 7.69147 -29.0121 TIMING: 2184200 CPU: 6502.24, 0.00297975/step Wall: 6502.24, 0.00297975/step, 2.33066 hours remaining, 205.539062 MB of memory in use. ENERGY: 2184200 736.8856 2076.3574 1937.9374 110.4392 -206172.0086 17859.7071 0.0000 0.0000 34476.4813 -148974.2006 301.0917 -183450.6819 -148881.7598 300.0687 82.1646 112.8262 556966.9341 1.3746 1.4599 LDB: ============= START OF LOAD BALANCING ============== 6505.67 LDB: ============== END OF LOAD BALANCING =============== 6505.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6505.67 LDB: ============= START OF LOAD BALANCING ============== 6505.97 LDB: Largest compute 4821 load 0.025603 is 21.7% of average load 0.118084 LDB: Average compute 0.001709 is 1.4% of average load 0.118084 LDB: TIME 6505.98 LOAD: AVG 0.118084 MAX 0.20451 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.859 MB LDB: TIME 6505.98 LOAD: AVG 0.118084 MAX 0.20451 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.867 MB LDB: TIME 6505.98 LOAD: AVG 0.118084 MAX 0.20451 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6505.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6505.98 PRESSURE: 2184400 -113.862 85.0822 58.4736 85.0815 30.1077 7.85058 58.472 7.85276 -305.634 GPRESSURE: 2184400 -90.1723 97.1109 177.673 110.551 110.022 50.5711 73.0722 -40.0866 -313.209 PRESSAVG: 2184400 36.7903 8.79021 29.5141 8.79016 -37.0609 21.3494 29.514 21.3495 -22.0387 GPRESSAVG: 2184400 36.9999 10.1033 30.3834 7.39136 -36.0233 21.826 30.7394 20.5167 -23.1454 TIMING: 2184400 CPU: 6502.85, 0.00303989/step Wall: 6502.85, 0.00303989/step, 2.37753 hours remaining, 205.226562 MB of memory in use. ENERGY: 2184400 774.2077 2099.5822 1949.1751 119.9306 -205837.6138 17633.3143 0.0000 0.0000 34236.0198 -149025.3841 298.9917 -183261.4039 -148927.7000 300.0241 -129.7961 -97.7865 556850.6858 -7.4364 -7.3896 PRESSURE: 2184600 53.5386 -33.1101 108.751 -33.1106 -58.4657 64.8256 108.751 64.8247 90.0354 GPRESSURE: 2184600 79.4565 11.4755 63.2795 -10.3343 33.4685 61.8534 183.821 37.5508 76.9897 PRESSAVG: 2184600 25.3866 -58.1486 42.0556 -58.1487 -35.447 -2.14774 42.0558 -2.14785 -10.5974 GPRESSAVG: 2184600 26.2376 -59.1945 39.3939 -58.6395 -35.8376 -3.88007 43.8321 -0.75905 -10.9879 TIMING: 2184600 CPU: 6503.45, 0.00299322/step Wall: 6503.45, 0.00299322/step, 2.34086 hours remaining, 205.226562 MB of memory in use. ENERGY: 2184600 720.7880 2065.2670 1938.9835 110.2175 -206167.1752 17845.9978 0.0000 0.0000 34426.9084 -149059.0131 300.6588 -183485.9214 -148963.9078 299.8437 28.3694 63.3049 557427.2399 -6.8859 -6.8627 PRESSURE: 2184800 314.081 -7.21353 -17.0704 -7.21115 52.9625 154.708 -17.0704 154.708 230.707 GPRESSURE: 2184800 353.299 -47.6309 -81.4491 -22.4214 84.9924 160.744 -48.4495 134.632 260.39 PRESSAVG: 2184800 37.0518 26.2393 1.96944 26.2393 2.48383 13.0891 1.9695 13.089 4.96786 GPRESSAVG: 2184800 35.6329 25.0177 1.40504 26.7538 2.99107 14.2017 0.935714 10.7076 5.62105 TIMING: 2184800 CPU: 6504.05, 0.00301228/step Wall: 6504.05, 0.00301228/step, 2.35561 hours remaining, 205.226562 MB of memory in use. ENERGY: 2184800 724.1667 2083.7316 1950.5857 115.6517 -206524.5502 18174.1679 0.0000 0.0000 34279.2048 -149197.0419 299.3688 -183476.2467 -149109.1717 300.0738 199.2501 232.8936 557189.5144 14.8345 14.7483 PRESSURE: 2185000 20.1566 50.871 99.4719 50.8704 -395.863 -23.8148 99.4725 -23.814 -47.6778 GPRESSURE: 2185000 36.8527 -5.27322 196.033 84.4489 -276.555 76.2554 30.5326 -16.3524 -79.8847 PRESSAVG: 2185000 20.8607 43.9211 -9.30967 43.9212 -51.9665 46.9034 -9.30964 46.9034 -3.00027 GPRESSAVG: 2185000 21.3938 43.0342 -10.1045 46.092 -52.5005 48.0965 -8.52243 47.738 -2.80138 TIMING: 2185000 CPU: 6504.66, 0.00302262/step Wall: 6504.66, 0.00302262/step, 2.36352 hours remaining, 205.226562 MB of memory in use. ENERGY: 2185000 754.6164 2073.4807 1976.6223 119.7189 -206075.6979 17590.8563 0.0000 0.0000 34366.0596 -149194.3436 300.1273 -183560.4032 -149086.8809 299.7672 -141.1279 -106.5291 557535.6223 -11.3687 -11.3027 PRESSURE: 2185200 -79.3153 -122.062 -66.594 -122.062 -153.945 209.036 -66.5925 209.034 230.12 GPRESSURE: 2185200 -48.5381 -164.655 -110.114 -92.7725 -90.3882 158.903 -39.8929 104.896 235.454 PRESSAVG: 2185200 -16.8773 22.9345 -15.4395 22.9346 -9.82695 50.2745 -15.4396 50.2745 28.0271 GPRESSAVG: 2185200 -17.3884 24.2828 -12.7323 23.4155 -8.85255 49.3943 -15.3489 52.013 27.2051 TIMING: 2185200 CPU: 6505.26, 0.00302005/step Wall: 6505.26, 0.00302005/step, 2.36134 hours remaining, 205.226562 MB of memory in use. ENERGY: 2185200 751.4860 2078.1017 2007.1265 114.4533 -206178.2267 17761.1841 0.0000 0.0000 34159.3290 -149306.5461 298.3219 -183465.8751 -149212.1676 299.2121 -1.0469 32.1760 556253.0541 0.4410 0.3214 PRESSURE: 2185400 372.711 32.284 46.2048 32.2851 173.878 135.245 46.2055 135.246 -40.8397 GPRESSURE: 2185400 355.603 28.2362 -3.40211 19.2146 233.858 58.3036 103.296 152.991 17.6127 PRESSAVG: 2185400 -21.731 64.5225 56.8503 64.5225 15.3298 38.9684 56.8503 38.9684 23.321 GPRESSAVG: 2185400 -21.6161 62.7698 57.0626 62.7183 15.1286 40.7229 55.6658 35.7876 23.7662 TIMING: 2185400 CPU: 6505.86, 0.00299334/step Wall: 6505.86, 0.00299334/step, 2.34029 hours remaining, 205.226562 MB of memory in use. ENERGY: 2185400 728.3705 2038.4994 1960.9902 114.0762 -205965.0527 17889.4341 0.0000 0.0000 34113.4119 -149120.2705 297.9209 -183233.6823 -149025.6075 299.0988 168.5829 202.3576 557634.5601 5.6400 5.7596 PRESSURE: 2185600 -103.219 13.2592 -5.54798 13.2598 -76.1106 15.9053 -5.5472 15.9057 -213.92 GPRESSURE: 2185600 -116.726 -25.183 37.4083 -45.3184 -69.7085 19.5347 -10.9573 -44.9889 -110.369 PRESSAVG: 2185600 16.3679 21.638 -18.7543 21.6381 8.32206 8.3727 -18.7543 8.3726 -56.6268 GPRESSAVG: 2185600 16.5192 22.438 -20.6249 21.7915 8.75814 8.37539 -16.8036 10.7471 -57.1836 TIMING: 2185600 CPU: 6506.45, 0.00296517/step Wall: 6506.45, 0.00296517/step, 2.31811 hours remaining, 205.226562 MB of memory in use. ENERGY: 2185600 716.5264 2134.5847 1964.6988 126.3819 -205802.9322 17605.5566 0.0000 0.0000 34330.2280 -148924.9558 299.8144 -183255.1838 -148832.1155 299.6268 -131.0832 -98.9344 558371.7397 -10.6456 -10.6354 PRESSURE: 2185800 -85.1102 51.42 86.7251 51.4212 288.888 -9.83394 86.7243 -9.83487 154.79 GPRESSURE: 2185800 -35.0664 21.1719 44.1303 71.0758 320.18 -51.1555 142.538 -54.9835 174.278 PRESSAVG: 2185800 5.46072 32.1762 8.13458 32.1761 -0.864752 4.47232 8.13457 4.47231 -36.1808 GPRESSAVG: 2185800 5.0241 32.966 9.59254 31.7142 -1.14735 3.41164 7.15641 3.08639 -35.4162 TIMING: 2185800 CPU: 6507.05, 0.00300006/step Wall: 6507.05, 0.00300006/step, 2.34521 hours remaining, 205.226562 MB of memory in use. ENERGY: 2185800 760.6374 2109.4846 1933.1394 108.8618 -206133.3185 17969.7915 0.0000 0.0000 34222.3315 -149029.0723 298.8721 -183251.4037 -148933.9219 299.9298 119.5224 153.1305 556207.7401 -10.5283 -10.5132 PRESSURE: 2186000 -60.0652 28.7433 28.9297 28.7436 -59.3734 56.7017 28.9304 56.7026 203.67 GPRESSURE: 2186000 2.86896 -1.77219 -55.3753 73.3508 -44.7281 103.616 4.04456 112.568 209.357 PRESSAVG: 2186000 14.2468 29.7237 -8.31809 29.7237 32.1594 14.3566 -8.31808 14.3567 -10.3226 GPRESSAVG: 2186000 14.7294 27.8265 -7.90801 31.6494 32.0418 12.9491 -7.92995 15.3474 -10.4877 TIMING: 2186000 CPU: 6507.66, 0.00301922/step Wall: 6507.66, 0.00301922/step, 2.36002 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: 2186000 749.3283 2063.8813 1971.7251 113.0484 -205976.6576 17781.8938 0.0000 0.0000 34207.4238 -149089.3568 298.7419 -183296.7806 -149002.3618 299.2596 28.0771 55.8327 557677.4588 12.0279 12.0945 PRESSURE: 2186200 -37.0056 -0.217288 52.386 -0.217506 97.1158 -124.019 52.3866 -124.02 -287.089 GPRESSURE: 2186200 46.9707 -63.0096 135.704 -7.81383 59.4562 -96.7699 88.8694 -103.909 -233.527 PRESSAVG: 2186200 -20.301 46.1774 51.2821 46.1774 -17.1489 52.5926 51.2822 52.5926 -3.63655 GPRESSAVG: 2186200 -19.7837 48.1701 49.7275 43.0018 -17.0184 53.5577 51.8622 52.3269 -4.54267 TIMING: 2186200 CPU: 6508.25, 0.00298686/step Wall: 6508.25, 0.00298686/step, 2.33456 hours remaining, 205.226562 MB of memory in use. ENERGY: 2186200 746.2992 2079.5654 1979.4655 120.3912 -206164.9442 17920.3294 0.0000 0.0000 34274.5191 -149044.3744 299.3279 -183318.8935 -148952.2071 299.5789 -75.6595 -42.3667 559124.7042 -13.6955 -13.7816 PRESSURE: 2186400 -241.968 98.0645 191.371 98.0631 76.786 6.54341 191.371 6.54337 -34.2877 GPRESSURE: 2186400 -132.913 90.7122 108.513 166.213 30.2124 -43.0998 241.737 64.9365 1.22301 PRESSAVG: 2186400 7.4878 59.5529 40.4088 59.5528 86.7633 8.95124 40.4087 8.95125 -84.6121 GPRESSAVG: 2186400 6.98532 59.1828 41.5225 60.7032 86.2599 9.12044 39.7221 9.17097 -83.7608 TIMING: 2186400 CPU: 6508.86, 0.00300185/step Wall: 6508.86, 0.00300185/step, 2.34611 hours remaining, 205.226562 MB of memory in use. ENERGY: 2186400 767.4957 2065.1943 1954.5504 108.3222 -205842.0578 17583.7106 0.0000 0.0000 34406.0625 -148956.7219 300.4767 -183362.7845 -148859.6084 299.8571 -66.4898 -33.8257 556508.0589 3.2130 3.1615 PRESSURE: 2186600 21.1663 -34.3506 6.12917 -34.3489 -304.941 -159.622 6.13116 -159.622 -148.019 GPRESSURE: 2186600 36.3862 24.2064 30.7402 -104.096 -272.869 -202.852 -30.7033 -63.4864 -108.559 PRESSAVG: 2186600 -37.1691 2.12647 46.9806 2.1265 74.5067 -74.4028 46.9807 -74.4027 -18.6749 GPRESSAVG: 2186600 -36.8444 3.66914 45.7173 0.628935 74.6549 -73.8304 46.8451 -73.6059 -18.6165 TIMING: 2186600 CPU: 6509.46, 0.00301278/step Wall: 6509.46, 0.00301278/step, 2.35448 hours remaining, 205.226562 MB of memory in use. ENERGY: 2186600 769.0203 2083.2893 1947.4249 105.3555 -205546.2637 17521.1772 0.0000 0.0000 34268.2988 -148851.6979 299.2736 -183119.9966 -148755.6876 299.7846 -143.9313 -115.0138 557393.3966 6.2209 6.3980 PRESSURE: 2186800 -135.221 71.5291 55.4867 71.5309 -81.3778 -103.637 55.4871 -103.636 -564.218 GPRESSURE: 2186800 -113.895 61.8696 139.896 235.158 -14.2357 -91.9459 -2.91108 -129.367 -546.226 PRESSAVG: 2186800 67.9005 -52.8665 22.4581 -52.8664 41.6441 -19.8657 22.4581 -19.8658 -96.7268 GPRESSAVG: 2186800 66.6416 -53.2195 24.663 -51.155 41.9721 -20.5245 20.472 -21.9321 -95.667 TIMING: 2186800 CPU: 6510.06, 0.00299927/step Wall: 6510.06, 0.00299927/step, 2.34376 hours remaining, 205.226562 MB of memory in use. ENERGY: 2186800 784.5899 2094.9001 1963.3523 116.9675 -205376.6395 17215.5364 0.0000 0.0000 34335.1551 -148866.1382 299.8574 -183201.2934 -148768.1644 299.8771 -260.2723 -224.7855 557473.1284 4.2726 4.3156 PRESSURE: 2187000 -214.021 155.884 -232.404 155.883 -361.381 201.529 -232.405 201.528 -245.363 GPRESSURE: 2187000 -209.06 131.023 -239.408 137.501 -304.871 261.453 -307.794 210.42 -213.498 PRESSAVG: 2187000 89.9178 27.8101 18.3196 27.8101 -10.6398 31.349 18.3196 31.349 -47.3839 GPRESSAVG: 2187000 90.4439 25.5965 17.251 28.2778 -9.59009 31.5669 18.9051 30.6042 -48.3151 TIMING: 2187000 CPU: 6510.66, 0.00299029/step Wall: 6510.66, 0.00299029/step, 2.33658 hours remaining, 205.226562 MB of memory in use. ENERGY: 2187000 754.1506 2120.2263 1966.5117 139.8864 -205874.1569 17491.2807 0.0000 0.0000 34309.5416 -149092.5596 299.6338 -183402.1012 -149002.8627 300.1937 -273.5887 -242.4762 558012.0818 10.6314 10.8463 PRESSURE: 2187200 159.149 12.261 26.5282 12.2603 23.9233 26.8366 26.5282 26.8367 120.585 GPRESSURE: 2187200 194.428 3.33617 68.0081 73.7011 46.2314 43.7334 45.7858 -23.6132 168.019 PRESSAVG: 2187200 101.763 22.5241 -50.2605 22.5241 -11.9509 7.88185 -50.2606 7.88201 -42.1553 GPRESSAVG: 2187200 102.118 22.6285 -50.3239 23.0314 -12.6582 6.77634 -49.001 10.711 -42.3488 TIMING: 2187200 CPU: 6511.25, 0.00298961/step Wall: 6511.25, 0.00298961/step, 2.33588 hours remaining, 205.226562 MB of memory in use. ENERGY: 2187200 757.5308 2098.6331 1937.4017 106.0824 -206278.5526 17988.2389 0.0000 0.0000 34186.5265 -149204.1393 298.5594 -183390.6658 -149114.3043 299.8761 101.2190 136.2259 556752.9482 15.8856 15.7036 PRESSURE: 2187400 -6.52394 -97.2331 -209.88 -97.2323 -76.932 160.15 -209.88 160.151 -175.142 GPRESSURE: 2187400 32.3653 -61.3173 -216.349 -147.189 -27.7012 173.365 -232.809 65.2828 -166.841 PRESSAVG: 2187400 4.95406 -46.0091 -1.44821 -46.0092 -69.9659 47.1322 -1.44815 47.1323 26.269 GPRESSAVG: 2187400 5.80354 -45.2328 -0.878681 -48.8125 -70.9215 47.382 -2.22435 46.5278 26.8198 TIMING: 2187400 CPU: 6511.86, 0.00301283/step Wall: 6511.86, 0.00301283/step, 2.35386 hours remaining, 205.226562 MB of memory in use. ENERGY: 2187400 753.5324 2058.3608 1973.3210 109.9454 -206383.2501 17762.2650 0.0000 0.0000 34456.8200 -149269.0054 300.9200 -183725.8254 -149169.3317 299.3497 -86.1993 -54.0590 555714.6719 -12.9143 -12.7661 PRESSURE: 2187600 -146.887 -247.871 -4.25935 -247.871 -193.919 51.2425 -4.25862 51.2413 -55.978 GPRESSURE: 2187600 -69.7582 -173.209 47.9479 -205.74 -163.094 28.0326 9.9628 21.1633 -60.6051 PRESSAVG: 2187600 3.85396 -31.1505 19.6838 -31.1506 -15.0064 35.9587 19.6838 35.9587 -13.6692 GPRESSAVG: 2187600 3.44086 -29.4227 21.3705 -28.877 -13.7817 35.2142 18.881 37.9667 -14.3953 TIMING: 2187600 CPU: 6512.46, 0.00300139/step Wall: 6512.46, 0.00300139/step, 2.34475 hours remaining, 205.226562 MB of memory in use. ENERGY: 2187600 756.9682 2066.7838 1968.4989 110.1979 -206070.8951 17652.7340 0.0000 0.0000 34253.4218 -149262.2903 299.1437 -183515.7121 -149164.6429 299.1403 -132.2611 -97.8191 558392.4810 -8.2739 -8.2454 PRESSURE: 2187800 0.711139 -87.2273 -15.5896 -87.2282 41.3518 64.2103 -15.5909 64.2097 -124.91 GPRESSURE: 2187800 51.4866 -59.8055 -41.8865 -163.816 53.7946 28.2485 -1.74809 16.8797 -83.6337 PRESSAVG: 2187800 9.45976 -35.3484 23.0084 -35.3484 -31.9157 -40.9345 23.0084 -40.9345 8.78985 GPRESSAVG: 2187800 9.55837 -35.6205 21.3147 -38.1946 -31.8589 -40.0107 26.3338 -44.1842 8.47644 TIMING: 2187800 CPU: 6513.05, 0.0029721/step Wall: 6513.05, 0.0029721/step, 2.32171 hours remaining, 205.226562 MB of memory in use. ENERGY: 2187800 788.6884 2069.1758 1935.6964 111.8437 -206073.5665 17777.9026 0.0000 0.0000 34166.6151 -149223.6446 298.3855 -183390.2597 -149125.4457 299.2005 -27.6156 7.2158 557010.1590 -4.5554 -4.6080 PRESSURE: 2188000 -71.8684 65.1774 -156.695 65.1784 -141.186 23.9227 -156.694 23.9236 208.789 GPRESSURE: 2188000 -71.2967 104.472 -115.707 -50.3243 -124.901 8.47933 -86.1315 70.2886 280.222 PRESSAVG: 2188000 31.8411 -1.15762 -12.1963 -1.15764 17.032 20.0751 -12.1962 20.0752 -40.5579 GPRESSAVG: 2188000 31.0745 -2.10252 -12.2373 1.9335 16.4907 18.889 -15.1102 21.8603 -39.7983 TIMING: 2188000 CPU: 6513.65, 0.0029856/step Wall: 6513.65, 0.0029856/step, 2.33208 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: 2188000 760.3229 2025.2147 1955.7604 103.2155 -206397.6670 17890.8473 0.0000 0.0000 34324.8406 -149337.4655 299.7674 -183662.3062 -149237.8648 299.4941 -1.4218 28.0081 557424.1131 2.7717 2.5890 PRESSURE: 2188200 99.856 -89.4753 -102.318 -89.475 181.178 59.4936 -102.318 59.4967 -209.834 GPRESSURE: 2188200 81.9731 -126.344 -182.326 -46.3663 170.895 14.4046 -30.9266 84.7263 -94.7371 PRESSAVG: 2188200 -8.37213 -17.958 -17.3514 -17.9579 -16.453 -15.1925 -17.3515 -15.1926 -15.9976 GPRESSAVG: 2188200 -8.4375 -18.524 -18.2573 -15.7267 -16.8992 -15.1592 -13.658 -15.5014 -15.5161 TIMING: 2188200 CPU: 6514.24, 0.00298509/step Wall: 6514.24, 0.00298509/step, 2.33152 hours remaining, 205.226562 MB of memory in use. ENERGY: 2188200 725.7170 2057.6741 1948.9291 101.0928 -206561.2494 17991.3168 0.0000 0.0000 34234.5877 -149501.9319 298.9792 -183736.5196 -149407.8532 298.7309 23.7333 52.7104 556641.2369 -13.6076 -13.6176 LDB: ============= START OF LOAD BALANCING ============== 6517.67 LDB: ============== END OF LOAD BALANCING =============== 6517.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6517.67 LDB: ============= START OF LOAD BALANCING ============== 6517.97 LDB: Largest compute 4821 load 0.026177 is 22.2% of average load 0.118159 LDB: Average compute 0.001715 is 1.5% of average load 0.118159 LDB: TIME 6517.97 LOAD: AVG 0.118159 MAX 0.206016 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 6517.97 LOAD: AVG 0.118159 MAX 0.206016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.84 MB LDB: TIME 6517.97 LOAD: AVG 0.118159 MAX 0.206016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.84 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6517.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6517.98 PRESSURE: 2188400 -74.7456 28.7941 -218.491 28.7948 107.635 -10.2497 -218.489 -10.2492 297.618 GPRESSURE: 2188400 -36.9211 91.5706 -153.742 26.8351 138.08 -67.219 -196.336 67.9063 326.767 PRESSAVG: 2188400 0.455092 16.4835 37.8611 16.4836 -26.9409 11.5993 37.861 11.5993 42.4459 GPRESSAVG: 2188400 1.32867 17.8255 38.4922 13.3473 -27.6971 12.5013 34.2787 11.6808 41.4662 TIMING: 2188400 CPU: 6514.85, 0.00302429/step Wall: 6514.85, 0.00302429/step, 2.36197 hours remaining, 205.996094 MB of memory in use. ENERGY: 2188400 756.6159 2097.2346 1940.8813 130.4329 -206514.5710 17943.3943 0.0000 0.0000 34177.1812 -149468.8309 298.4778 -183646.0120 -149379.2836 297.8094 110.1689 142.6419 557331.3401 5.3200 5.0326 PRESSURE: 2188600 -95.1856 30.1954 86.7378 30.1946 -1.20813 -4.71528 86.7388 -4.7161 -56.2652 GPRESSURE: 2188600 -50.4916 -5.49404 142.403 -18.8298 55.6934 13.4336 50.5186 4.0709 -64.5618 PRESSAVG: 2188600 9.88558 -16.7732 35.5696 -16.7733 73.0977 -20.9621 35.5696 -20.962 -76.5588 GPRESSAVG: 2188600 9.74653 -17.9015 36.6486 -14.501 72.7082 -20.3966 37.0147 -21.1254 -75.861 TIMING: 2188600 CPU: 6515.45, 0.00299791/step Wall: 6515.45, 0.00299791/step, 2.3412 hours remaining, 205.996094 MB of memory in use. ENERGY: 2188600 764.7188 2084.1811 1946.8694 103.0043 -206536.4726 17857.0303 0.0000 0.0000 34350.8469 -149429.8217 299.9945 -183780.6686 -149329.3901 298.9836 -50.8863 -19.7867 558591.2007 2.1415 2.1979 PRESSURE: 2188800 54.5255 -270.555 -138.432 -270.554 -234.028 -70.9979 -138.432 -70.9989 -57.8 GPRESSURE: 2188800 123.509 -248.393 -110.433 -302.147 -227.319 -114.487 -119.711 -69.2224 -37.3872 PRESSAVG: 2188800 29.3054 -27.9572 -5.15602 -27.9571 -17.4649 15.9676 -5.15591 15.9676 11.2255 GPRESSAVG: 2188800 30.1621 -25.759 -5.92454 -29.2227 -17.1392 13.448 -4.78597 16.919 10.4739 TIMING: 2188800 CPU: 6516.05, 0.00298183/step Wall: 6516.05, 0.00298183/step, 2.32848 hours remaining, 205.996094 MB of memory in use. ENERGY: 2188800 747.2621 2046.3819 1954.3172 117.3010 -206361.6038 17909.3590 0.0000 0.0000 34140.6227 -149446.3598 298.1585 -183586.9825 -149349.0756 298.4621 -79.1009 -47.0658 559670.8342 7.6887 7.8323 PRESSURE: 2189000 -456.556 74.4815 -15.0378 74.4817 -342.883 33.7309 -15.0374 33.7308 -160.976 GPRESSURE: 2189000 -462.391 62.3665 -58.7801 73.2668 -265.73 58.1348 -28.086 68.3653 -137.135 PRESSAVG: 2189000 -27.7029 -45.4931 -32.5714 -45.4931 -18.2067 -1.51431 -32.5713 -1.5142 41.359 GPRESSAVG: 2189000 -27.5497 -47.6085 -33.2298 -44.5925 -19.2468 0.659465 -32.1719 -3.96473 42.3371 TIMING: 2189000 CPU: 6516.65, 0.00301188/step Wall: 6516.65, 0.00301188/step, 2.35178 hours remaining, 205.996094 MB of memory in use. ENERGY: 2189000 730.3936 2047.1290 1932.5354 104.7697 -205724.9072 17446.3957 0.0000 0.0000 34218.2214 -149245.4624 298.8362 -183463.6839 -149148.8195 298.7929 -320.1385 -288.4189 560199.5533 -1.5168 -1.4865 PRESSURE: 2189200 -270.011 110.094 -8.99061 110.095 27.6063 8.06148 -8.99062 8.06186 -159.789 GPRESSURE: 2189200 -228.646 38.7617 3.74305 163.809 70.1461 -57.448 -20.2765 58.05 -144.938 PRESSAVG: 2189200 -20.8546 31.1851 13.8998 31.1853 20.8366 -4.97849 13.8997 -4.9783 -4.43195 GPRESSAVG: 2189200 -20.7086 30.5747 14.3962 30.5744 22.3061 -5.08821 13.3601 -4.02923 -5.74544 TIMING: 2189200 CPU: 6517.24, 0.00298114/step Wall: 6517.24, 0.00298114/step, 2.32761 hours remaining, 205.996094 MB of memory in use. ENERGY: 2189200 779.4199 2099.5321 1913.4703 118.9533 -206420.2404 17922.2974 0.0000 0.0000 34477.6057 -149108.9617 301.1015 -183586.5673 -149005.0001 299.4955 -134.0644 -101.1461 559537.0220 -1.4833 -1.3826 PRESSURE: 2189400 -18.6243 182.778 -58.6787 182.778 -67.049 -26.3449 -58.6784 -26.3452 -60.156 GPRESSURE: 2189400 88.5688 128.616 -137.718 243.801 -56.9874 -31.4573 1.00081 -47.0643 -86.2393 PRESSAVG: 2189400 -52.7888 20.6396 44.066 20.6397 -27.7446 20.8633 44.066 20.8633 29.4353 GPRESSAVG: 2189400 -52.0325 19.5982 44.4877 22.144 -29.8921 20.72 44.0718 19.3194 30.6364 TIMING: 2189400 CPU: 6517.84, 0.00298177/step Wall: 6517.84, 0.00298177/step, 2.32793 hours remaining, 205.996094 MB of memory in use. ENERGY: 2189400 719.0646 2084.5404 1936.0446 119.1154 -206175.0381 17868.4347 0.0000 0.0000 34337.3414 -149110.4970 299.8765 -183447.8384 -149008.2171 299.5535 -48.6097 -18.2193 560293.9276 -17.0327 -17.0960 PRESSURE: 2189600 130.322 -59.9338 -62.0685 -59.9334 -120.049 -0.871735 -62.0678 -0.872713 -83.4312 GPRESSURE: 2189600 92.506 -65.4982 -99.9495 -17.4154 -67.3603 41.276 -45.0879 -22.8238 -22.3198 PRESSAVG: 2189600 9.6329 42.7322 -2.98812 42.7323 -14.4963 7.90148 -2.98812 7.90144 14.9332 GPRESSAVG: 2189600 8.23208 45.815 -3.40076 39.4408 -13.3923 9.29959 -3.77531 6.84935 15.4011 TIMING: 2189600 CPU: 6518.44, 0.00300906/step Wall: 6518.44, 0.00300906/step, 2.34907 hours remaining, 205.996094 MB of memory in use. ENERGY: 2189600 740.2773 2048.4573 1938.8788 104.2201 -206117.7338 17965.2606 0.0000 0.0000 34172.5129 -149148.1268 298.4371 -183320.6398 -149046.1501 299.4454 -24.3859 0.9420 559211.6741 3.3566 3.4136 PRESSURE: 2189800 -213.027 -3.54541 -16.3857 -3.54521 -360.828 -95.4729 -16.3875 -95.4742 -244.541 GPRESSURE: 2189800 -123.544 53.0063 9.81753 -55.2668 -325.624 -139.502 0.730061 -111.194 -277.394 PRESSAVG: 2189800 28.2856 -18.7347 -38.0321 -18.7347 -40.8954 -59.2741 -38.032 -59.2742 15.2917 GPRESSAVG: 2189800 29.4282 -18.9986 -38.1298 -16.1839 -40.0271 -59.8225 -38.2728 -57.0753 13.5335 TIMING: 2189800 CPU: 6519.04, 0.00297687/step Wall: 6519.04, 0.00297687/step, 2.32378 hours remaining, 205.996094 MB of memory in use. ENERGY: 2189800 785.8238 2078.6543 1952.2229 118.2477 -205904.7681 17533.6081 0.0000 0.0000 34498.5301 -148937.6811 301.2842 -183436.2112 -148839.8212 299.7919 -272.7986 -242.1875 557349.9951 0.8940 0.9782 PRESSURE: 2190000 -234.769 46.723 28.0143 46.7228 24.424 -59.948 28.0143 -59.9478 110.264 GPRESSURE: 2190000 -171.722 -52.0153 -69.0768 101.099 5.35054 -140.468 55.9521 -51.2923 153.661 PRESSAVG: 2190000 -44.2955 -21.5269 51.1169 -21.5269 -7.76092 -37.5445 51.1169 -37.5446 37.5468 GPRESSAVG: 2190000 -45.0047 -23.6864 50.9777 -21.1621 -8.51785 -37.2098 53.3677 -37.7207 38.6414 TIMING: 2190000 CPU: 6519.63, 0.00297088/step Wall: 6519.63, 0.00297088/step, 2.31894 hours remaining, 205.996094 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: 2190000 745.6261 2086.3394 1956.5386 111.6151 -206202.5180 17815.6461 0.0000 0.0000 34508.2305 -148978.5222 301.3690 -183486.7527 -148879.1820 300.1659 -33.3604 -4.2369 557920.9053 -4.8365 -4.9604 PRESSURE: 2190200 -162.204 -30.482 58.7996 -30.4816 87.5042 77.7464 58.7999 77.7469 -111.599 GPRESSURE: 2190200 -111.08 -5.85168 43.362 6.08442 96.4647 120.843 25.8728 58.7289 -83.8768 PRESSAVG: 2190200 -33.6398 -59.6508 7.64455 -59.6508 57.5029 4.46127 7.64465 4.46139 -3.57333 GPRESSAVG: 2190200 -34.1708 -56.4318 7.1516 -61.1035 57.0271 4.45156 6.87034 4.8099 -2.70495 TIMING: 2190200 CPU: 6520.23, 0.0029909/step Wall: 6520.23, 0.0029909/step, 2.3344 hours remaining, 205.996094 MB of memory in use. ENERGY: 2190200 733.9429 2082.7237 1945.4391 109.1206 -205747.8696 17644.9931 0.0000 0.0000 34173.0950 -149058.5552 298.4421 -183231.6502 -148963.0822 299.5805 -62.0996 -32.8306 557824.6350 6.7633 6.7171 PRESSURE: 2190400 -54.5017 -53.9868 41.6336 -53.9873 -333.434 -5.98607 41.6339 -5.98518 234.723 GPRESSURE: 2190400 -35.4153 37.5354 76.8923 -40.112 -290.68 -43.0684 55.0658 4.50017 255.656 PRESSAVG: 2190400 -45.8692 2.58746 -7.38478 2.58744 23.3551 13.8878 -7.38472 13.8877 36.8544 GPRESSAVG: 2190400 -45.7488 1.19697 -5.81357 2.67396 25.6207 13.0507 -9.43115 14.5024 34.4361 TIMING: 2190400 CPU: 6520.83, 0.00299066/step Wall: 6520.83, 0.00299066/step, 2.33404 hours remaining, 205.996094 MB of memory in use. ENERGY: 2190400 704.6360 2097.1886 1936.1797 122.6915 -205809.2318 17619.0226 0.0000 0.0000 34072.6573 -149256.8561 297.5650 -183329.5134 -149163.6473 298.9881 -51.0708 -23.4797 558979.5356 4.7801 4.7693 PRESSURE: 2190600 15.1644 -46.1799 42.2595 -46.1808 -94.7653 -27.2747 42.2604 -27.2745 -203.085 GPRESSURE: 2190600 24.2051 26.6452 10.9801 -63.6782 -19.863 -42.7186 47.98 -107.247 -194.974 PRESSAVG: 2190600 29.4426 16.8944 -8.95153 16.8945 -37.6234 28.3711 -8.95145 28.3711 21.5215 GPRESSAVG: 2190600 30.2501 16.7019 -11.3746 16.92 -39.16 27.6286 -5.12999 26.4668 22.2116 TIMING: 2190600 CPU: 6521.42, 0.00298055/step Wall: 6521.42, 0.00298055/step, 2.32598 hours remaining, 205.996094 MB of memory in use. ENERGY: 2190600 741.4166 2111.4191 1948.8106 125.9373 -206277.7544 17855.1709 0.0000 0.0000 34438.0097 -149056.9902 300.7557 -183494.9999 -148956.4637 299.4383 -94.2286 -63.5438 558383.8240 4.4469 4.4339 PRESSURE: 2190800 2.80888 -97.3823 -113.566 -97.3832 -130.91 9.51503 -113.565 9.51486 -2.61154 GPRESSURE: 2190800 43.0215 -26.4825 -59.0149 -126.011 -107.095 133.803 -165.313 45.4916 29.7048 PRESSAVG: 2190800 -40.655 -4.28915 -4.73411 -4.28906 -3.11368 5.41665 -4.73416 5.41662 9.49738 GPRESSAVG: 2190800 -41.1967 -3.14939 -2.29681 -3.82547 -2.34195 6.93127 -6.03238 5.80088 9.70394 TIMING: 2190800 CPU: 6522.02, 0.00299718/step Wall: 6522.02, 0.00299718/step, 2.3388 hours remaining, 205.996094 MB of memory in use. ENERGY: 2190800 725.0224 2044.4241 1936.5323 116.7266 -205790.8160 17732.8985 0.0000 0.0000 34219.9755 -149015.2366 298.8516 -183235.2121 -148921.0990 299.7387 -43.5709 -11.4561 560456.7353 -11.4238 -11.2782 PRESSURE: 2191000 179.196 -84.7368 55.7828 -84.7378 -106.015 -7.51993 55.7838 -7.52046 3.34926 GPRESSURE: 2191000 247.617 -66.2271 68.4237 -134.518 -112.765 -27.9163 74.9265 1.32045 35.3876 PRESSAVG: 2191000 41.2826 -27.471 23.7561 -27.4711 -9.25605 0.223537 23.7561 0.223438 -15.8218 GPRESSAVG: 2191000 41.4585 -27.1419 20.9934 -27.6996 -9.32493 0.756592 26.1626 0.244918 -16.109 TIMING: 2191000 CPU: 6522.62, 0.00299497/step Wall: 6522.62, 0.00299497/step, 2.33691 hours remaining, 205.996094 MB of memory in use. ENERGY: 2191000 733.2491 2050.9965 1978.5414 113.4054 -205815.1160 17795.7235 0.0000 0.0000 34165.5544 -148977.6456 298.3763 -183143.2000 -148883.1446 299.7368 25.5100 56.7464 557647.8072 5.4016 5.3415 PRESSURE: 2191200 11.6957 13.0607 20.2257 13.0608 -150.432 97.5403 20.2266 97.541 -10.7654 GPRESSURE: 2191200 32.1305 61.4449 -16.2549 -17.7955 -139.117 206.648 -5.89725 -60.4533 34.9935 PRESSAVG: 2191200 42.8722 -26.0469 -22.3834 -26.0469 -32.8009 9.38765 -22.3834 9.38772 5.27661 GPRESSAVG: 2191200 43.5553 -26.1072 -21.4412 -26.3276 -33.7759 8.33007 -24.9203 9.22889 5.62546 TIMING: 2191200 CPU: 6523.22, 0.00300258/step Wall: 6523.22, 0.00300258/step, 2.34268 hours remaining, 205.996094 MB of memory in use. ENERGY: 2191200 741.6376 2096.2070 1941.0508 119.8864 -206227.5834 17911.2714 0.0000 0.0000 34553.0445 -148864.4857 301.7603 -183417.5302 -148766.6361 300.2915 -49.8338 -23.9977 558323.3231 5.1160 5.1350 PRESSURE: 2191400 -561.938 34.5553 78.2317 34.5529 -321.231 93.4259 78.2317 93.4258 -375.118 GPRESSURE: 2191400 -469.129 96.2158 75.5347 1.24125 -295.084 79.5303 35.7222 61.1697 -378.018 PRESSAVG: 2191400 12.2839 -41.5604 46.2727 -41.5604 -40.9311 31.6379 46.2728 31.6379 12.3235 GPRESSAVG: 2191400 12.1711 -43.0776 46.5982 -39.4792 -40.8057 32.5435 48.1064 33.8035 12.8638 TIMING: 2191400 CPU: 6523.83, 0.00301272/step Wall: 6523.83, 0.00301272/step, 2.35042 hours remaining, 205.996094 MB of memory in use. ENERGY: 2191400 752.0803 2071.6754 1936.7945 116.0089 -205385.1188 17208.5545 0.0000 0.0000 34473.3561 -148826.6492 301.0644 -183300.0053 -148728.0718 300.7965 -419.4287 -380.7436 560131.1892 -5.4412 -5.2569 PRESSURE: 2191600 52.403 189.062 10.8389 189.063 -18.6077 55.7022 10.838 55.7021 -286.111 GPRESSURE: 2191600 48.211 185.604 -26.1503 160.275 6.1865 35.9707 -76.1484 -17.6002 -208.972 PRESSAVG: 2191600 12.1257 68.2994 -53.8276 68.2994 22.2442 8.38366 -53.8277 8.3837 -20.2882 GPRESSAVG: 2191600 12.1677 70.026 -54.7415 65.8571 22.1462 7.12716 -55.0275 8.29104 -20.4354 TIMING: 2191600 CPU: 6524.43, 0.00300547/step Wall: 6524.43, 0.00300547/step, 2.3446 hours remaining, 205.996094 MB of memory in use. ENERGY: 2191600 739.3935 2088.8876 1956.7665 116.9330 -205724.0578 17512.5270 0.0000 0.0000 34346.7110 -148962.8391 299.9584 -183309.5501 -148861.1714 300.7671 -84.1052 -51.5249 557693.3897 4.6939 4.6262 PRESSURE: 2191800 -5.59959 -30.1607 8.61886 -30.1611 36.4822 -70.8946 8.61878 -70.8947 -141.631 GPRESSURE: 2191800 16.4576 30.3743 -18.9996 -127.852 62.432 -10.8544 26.3088 -72.7949 -91.1792 PRESSAVG: 2191800 -24.7341 26.5556 -29.6587 26.5557 77.7751 -22.4466 -29.6587 -22.4465 -32.5367 GPRESSAVG: 2191800 -24.5014 27.715 -31.1218 26.3213 77.2037 -22.731 -31.0931 -21.9575 -33.0356 TIMING: 2191800 CPU: 6525.03, 0.0030085/step Wall: 6525.03, 0.0030085/step, 2.3468 hours remaining, 205.996094 MB of memory in use. ENERGY: 2191800 766.7906 2089.5041 1977.0936 111.4733 -206056.6767 17797.6620 0.0000 0.0000 34438.3700 -148875.7832 300.7589 -183314.1532 -148781.6109 299.7402 -36.9161 -4.0965 558374.6171 6.8347 6.5556 PRESSURE: 2192000 -26.1645 85.9931 -76.4589 85.993 288.758 -33.7422 -76.4589 -33.7426 236.372 GPRESSURE: 2192000 60.6062 51.8163 -46.7842 74.3518 319.733 -19.4256 -76.9133 2.01083 211.421 PRESSAVG: 2192000 15.918 30.2226 -5.25355 30.2226 67.9136 17.3719 -5.25352 17.372 -30.1388 GPRESSAVG: 2192000 15.8654 29.3859 -1.89707 30.0304 67.4389 18.7221 -3.85958 17.1484 -29.9167 TIMING: 2192000 CPU: 6525.63, 0.00299726/step Wall: 6525.63, 0.00299726/step, 2.33786 hours remaining, 205.996094 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: 2192000 763.6720 2012.2160 1956.4985 107.4470 -206333.0029 18086.1466 0.0000 0.0000 34438.8452 -148968.1775 300.7630 -183407.0227 -148871.3031 300.2583 166.3217 197.2532 557256.6664 17.8976 17.7959 PRESSURE: 2192200 -71.3324 133.717 10.9491 133.717 244.806 -94.3117 10.9485 -94.3111 47.9836 GPRESSURE: 2192200 -30.8169 216.698 -26.6705 45.3314 241.922 -97.2316 -94.4738 -39.8266 106.143 PRESSAVG: 2192200 -8.67249 16.6938 -8.0894 16.6937 44.894 5.70984 -8.08942 5.70982 -21.8825 GPRESSAVG: 2192200 -8.5474 16.6267 -9.2675 16.2051 45.5718 5.72324 -7.579 6.80924 -22.5833 TIMING: 2192200 CPU: 6526.23, 0.00300926/step Wall: 6526.23, 0.00300926/step, 2.34706 hours remaining, 205.996094 MB of memory in use. ENERGY: 2192200 699.9137 2092.9823 1920.3340 102.7052 -205825.7865 17738.4114 0.0000 0.0000 34319.2385 -148952.2014 299.7184 -183271.4400 -148856.6023 299.4852 73.8190 105.7493 558866.2884 4.7797 4.8137 LDB: ============= START OF LOAD BALANCING ============== 6529.66 LDB: ============== END OF LOAD BALANCING =============== 6529.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6529.66 LDB: ============= START OF LOAD BALANCING ============== 6529.96 LDB: Largest compute 4821 load 0.024436 is 20.7% of average load 0.118100 LDB: Average compute 0.001719 is 1.5% of average load 0.118100 LDB: TIME 6529.96 LOAD: AVG 0.1181 MAX 0.206751 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 6529.97 LOAD: AVG 0.1181 MAX 0.206751 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 6529.97 LOAD: AVG 0.1181 MAX 0.206751 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6529.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6529.97 PRESSURE: 2192400 -214.138 -14.2181 -45.6364 -14.2188 -161.833 -5.96802 -45.6362 -5.96742 -219.38 GPRESSURE: 2192400 -121.335 -51.5269 -91.2361 87.9609 -144.163 64.7348 -33.8175 -17.1286 -227.113 PRESSAVG: 2192400 -24.6716 0.433585 11.9245 0.433589 76.6661 23.1319 11.9246 23.132 -43.7098 GPRESSAVG: 2192400 -24.4078 -0.155148 10.7809 0.479131 76.325 24.9599 12.3436 20.4257 -44.02 TIMING: 2192400 CPU: 6526.84, 0.00306043/step Wall: 6526.84, 0.00306043/step, 2.38679 hours remaining, 206.371094 MB of memory in use. ENERGY: 2192400 740.3298 2046.7882 1983.9530 115.3792 -205974.8397 17685.5399 0.0000 0.0000 34328.8471 -149074.0025 299.8024 -183402.8495 -148969.6741 299.5703 -198.4502 -164.2037 558266.0023 2.7615 2.6324 PRESSURE: 2192600 129.876 -127.468 -7.3369 -127.467 -2.43439 -99.6033 -7.33849 -99.6027 96.7487 GPRESSURE: 2192600 126.171 -144.535 -40.844 -126.06 58.4733 -86.7949 -17.2472 -38.4718 131.594 PRESSAVG: 2192600 -7.38116 -19.6692 4.36037 -19.6692 31.49 -22.382 4.36025 -22.3821 -44.8113 GPRESSAVG: 2192600 -8.64686 -18.4862 3.47352 -20.3087 32.0854 -23.195 4.54413 -20.8362 -44.6497 TIMING: 2192600 CPU: 6527.44, 0.00300571/step Wall: 6527.44, 0.00300571/step, 2.34395 hours remaining, 206.574219 MB of memory in use. ENERGY: 2192600 755.6204 2086.4679 1935.5910 110.5708 -206188.9529 18097.1896 0.0000 0.0000 34260.9615 -148942.5517 299.2095 -183203.5132 -148850.5218 299.3164 74.7303 105.4127 559158.1161 -6.9008 -7.0704 PRESSURE: 2192800 148.242 -75.5815 118.518 -75.5816 -198.867 108.114 118.518 108.116 1.65779 GPRESSURE: 2192800 194.417 -114.226 118.889 24.8643 -165.209 100.192 120.749 161.622 26.4685 PRESSAVG: 2192800 18.5852 -16.6628 20.1556 -16.6628 -1.42737 -6.94454 20.1556 -6.94443 27.8562 GPRESSAVG: 2192800 18.5284 -17.9709 20.5365 -14.4862 -0.089566 -8.61022 20.7843 -6.91886 26.2828 TIMING: 2192800 CPU: 6528.04, 0.00298872/step Wall: 6528.04, 0.00298872/step, 2.33054 hours remaining, 206.574219 MB of memory in use. ENERGY: 2192800 689.3703 2121.8518 1923.8409 118.6677 -205915.7425 17802.9604 0.0000 0.0000 34357.6174 -148901.4340 300.0536 -183259.0514 -148808.9722 299.9451 -16.3223 18.5588 559084.3284 15.0047 14.9072 PRESSURE: 2193000 122.245 -150.554 -72.0473 -150.554 43.5367 -75.0647 -72.0468 -75.065 -142.135 GPRESSURE: 2193000 80.8362 -72.6042 -110.668 -167.21 120.563 -136.211 -26.4286 -70.1722 -93.6525 PRESSAVG: 2193000 40.607 -45.0197 41.1711 -45.0197 -78.2746 -17.5032 41.1711 -17.5033 20.9742 GPRESSAVG: 2193000 41.1678 -45.3138 39.2732 -45.2379 -80.4837 -17.2355 42.9536 -17.8898 22.8352 TIMING: 2193000 CPU: 6528.64, 0.00298458/step Wall: 6528.64, 0.00298458/step, 2.32714 hours remaining, 206.574219 MB of memory in use. ENERGY: 2193000 757.0505 2093.6382 1947.3769 116.3128 -205830.7316 17822.4316 0.0000 0.0000 34376.9676 -148716.9541 300.2226 -183093.9217 -148624.7998 299.8315 7.8825 35.9154 559747.1374 -5.5645 -5.4936 PRESSURE: 2193200 -144.926 -80.0651 0.54585 -80.0647 -104.655 -128.943 0.545919 -128.942 51.3846 GPRESSURE: 2193200 -76.4038 -117.281 -31.0112 -128.283 -101.212 -126.005 -0.22488 -142.531 70.195 PRESSAVG: 2193200 4.54751 -59.3761 -61.3459 -59.3761 7.77348 -4.72499 -61.3458 -4.72492 -7.5539 GPRESSAVG: 2193200 5.8382 -56.9452 -59.5533 -62.8973 7.93587 -5.60034 -65.0416 -3.27793 -8.40331 TIMING: 2193200 CPU: 6529.24, 0.00302463/step Wall: 6529.24, 0.00302463/step, 2.3582 hours remaining, 206.574219 MB of memory in use. ENERGY: 2193200 760.2246 2073.8345 1938.5986 121.0512 -205758.4309 17649.7412 0.0000 0.0000 34369.4705 -148845.5103 300.1571 -183214.9808 -148742.4418 300.1881 -66.0656 -35.8068 558456.9877 1.5890 1.7903 PRESSURE: 2193400 64.8552 78.7293 -183.202 78.7279 -125.811 53.0514 -183.202 53.0509 41.2426 GPRESSURE: 2193400 33.7575 97.3904 -191.066 48.1928 -68.6365 56.9506 -303.043 108.553 111.089 PRESSAVG: 2193400 -2.19616 -25.1625 -29.5624 -25.1625 -6.79019 -47.3763 -29.5624 -47.3764 10.4631 GPRESSAVG: 2193400 -2.75407 -26.6388 -29.176 -24.155 -6.36763 -46.8233 -28.845 -46.7552 10.9363 TIMING: 2193400 CPU: 6529.85, 0.00302072/step Wall: 6529.85, 0.00302072/step, 2.35498 hours remaining, 206.574219 MB of memory in use. ENERGY: 2193400 760.0828 2049.9217 1939.9663 114.1500 -206261.0183 17997.8750 0.0000 0.0000 34427.0421 -148971.9804 300.6599 -183399.0225 -148873.3670 299.4617 -6.5712 25.4034 557475.3960 0.4922 0.6049 PRESSURE: 2193600 -7.17181 -37.3191 40.6978 -37.3188 -32.9966 -45.3631 40.6983 -45.3649 -8.57453 GPRESSURE: 2193600 -31.7755 -34.6098 -19.6452 61.8176 8.54032 -39.1605 91.1658 -114.728 58.8967 PRESSAVG: 2193600 4.91561 31.527 -19.7007 31.5271 -1.87945 -46.5187 -19.7006 -46.5186 12.4668 GPRESSAVG: 2193600 5.75304 30.2504 -19.0647 33.8085 -1.75639 -45.3641 -20.8472 -50.2394 11.2859 TIMING: 2193600 CPU: 6530.45, 0.00302604/step Wall: 6530.45, 0.00302604/step, 2.35897 hours remaining, 206.574219 MB of memory in use. ENERGY: 2193600 749.2004 2092.8820 1975.2344 112.0330 -205852.7398 17647.4485 0.0000 0.0000 34536.2617 -148739.6798 301.6138 -183275.9415 -148636.5486 300.1319 -16.2477 11.8872 557947.0551 5.1677 5.0942 PRESSURE: 2193800 -286.589 -33.6807 -31.6505 -33.6816 -110.362 -22.2921 -31.6506 -22.2903 -184.095 GPRESSURE: 2193800 -241.743 -25.5603 10.2648 79.2538 -64.7432 -12.8896 -7.95521 72.6468 -183.295 PRESSAVG: 2193800 -53.6936 -18.8704 -28.5116 -18.8704 11.5191 -28.4294 -28.5115 -28.4294 13.8582 GPRESSAVG: 2193800 -54.4661 -19.5543 -28.7166 -18.8044 11.4987 -28.707 -26.7954 -25.3465 14.0689 TIMING: 2193800 CPU: 6531.05, 0.00299431/step Wall: 6531.05, 0.00299431/step, 2.33406 hours remaining, 206.574219 MB of memory in use. ENERGY: 2193800 777.4680 2140.0256 1944.1535 121.3302 -205534.0151 17541.4825 0.0000 0.0000 34363.9955 -148645.5597 300.1093 -183009.5552 -148542.6327 300.5639 -193.6822 -163.2606 559207.2691 -9.4388 -9.6329 PRESSURE: 2194000 -18.3663 123.962 -98.9535 123.963 197.981 -30.2105 -98.9544 -30.2132 74.0148 GPRESSURE: 2194000 8.86685 190.45 -112.145 46.001 223.604 -66.5119 -76.0849 -17.1865 118.709 PRESSAVG: 2194000 -51.1408 70.3261 -8.56453 70.3262 31.184 -5.29007 -8.56446 -5.29017 11.6559 GPRESSAVG: 2194000 -51.4191 71.2957 -6.59911 69.6095 30.1864 -5.27811 -11.1357 -5.94417 12.7132 TIMING: 2194000 CPU: 6531.65, 0.00298467/step Wall: 6531.65, 0.00298467/step, 2.32639 hours remaining, 206.574219 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: 2194000 733.6531 2033.9175 1961.3487 109.9548 -205955.3540 17942.0182 0.0000 0.0000 34467.6364 -148706.8252 301.0144 -183174.4616 -148610.5031 300.0918 84.5433 117.0600 557642.2731 -2.7670 -2.8398 PRESSURE: 2194200 18.0955 232.414 -94.1613 232.415 -69.6018 11.3285 -94.1604 11.3287 -139.096 GPRESSURE: 2194200 109.698 280.538 -102.31 306.113 -43.408 -28.6404 -90.5122 37.5973 -146.842 PRESSAVG: 2194200 -12.3155 42.7666 5.25444 42.7667 15.8304 23.9567 5.2544 23.9568 1.56662 GPRESSAVG: 2194200 -11.7884 42.0466 1.9266 41.1342 16.1772 23.1258 7.40053 22.9892 1.15291 TIMING: 2194200 CPU: 6532.24, 0.0029814/step Wall: 6532.24, 0.0029814/step, 2.32367 hours remaining, 206.574219 MB of memory in use. ENERGY: 2194200 760.3835 2094.2964 1957.3579 116.2946 -205842.2206 17827.6380 0.0000 0.0000 34376.9672 -148709.2830 300.2226 -183086.2502 -148607.8126 300.2681 -63.5339 -26.8504 560034.3923 1.6939 1.8472 PRESSURE: 2194400 -196.412 -14.2031 68.1863 -14.2025 2.11223 148.401 68.1863 148.4 -55.0198 GPRESSURE: 2194400 -182.378 -22.6288 92.7348 -21.6958 79.2723 134.813 31.1474 164 -51.4563 PRESSAVG: 2194400 10.5222 16.1466 -10.6767 16.1466 -24.041 58.7164 -10.6769 58.7165 17.0657 GPRESSAVG: 2194400 11.6523 15.9078 -9.19018 17.177 -24.4651 60.0119 -11.4719 59.2084 16.3231 TIMING: 2194400 CPU: 6532.85, 0.00301274/step Wall: 6532.85, 0.00301274/step, 2.34793 hours remaining, 206.574219 MB of memory in use. ENERGY: 2194400 715.2537 2085.7110 1958.5468 121.6806 -205468.5165 17536.7703 0.0000 0.0000 34414.8079 -148635.7462 300.5531 -183050.5540 -148531.5916 300.7635 -83.1065 -51.5208 558777.1080 1.1823 1.1701 PRESSURE: 2194600 8.51471 60.1597 -149.253 60.1587 300.288 -170.562 -149.253 -170.561 165.522 GPRESSURE: 2194600 83.5389 80.9949 -239.836 88.0172 293.074 -182.556 -88.2177 -166.439 198.492 PRESSAVG: 2194600 6.4603 16.5987 -41.0906 16.5988 -7.22856 -32.1505 -41.0907 -32.1504 -4.15793 GPRESSAVG: 2194600 5.21803 16.9477 -39.8434 16.4424 -5.66873 -32.2532 -41.5506 -32.0556 -4.41887 TIMING: 2194600 CPU: 6533.45, 0.00302159/step Wall: 6533.45, 0.00302159/step, 2.35466 hours remaining, 206.574219 MB of memory in use. ENERGY: 2194600 731.3230 2099.0579 1934.1956 129.6357 -205861.2072 17959.2461 0.0000 0.0000 34413.0511 -148594.6978 300.5377 -183007.7489 -148508.6538 300.3687 158.1085 191.7016 559250.0493 -1.6421 -1.6232 PRESSURE: 2194800 -202.744 128.815 103.013 128.815 -169.171 24.9655 103.012 24.9668 -219.902 GPRESSURE: 2194800 -186.031 113.86 27.816 149.538 -79.8647 -12.4365 98.9118 -1.70993 -236.983 PRESSAVG: 2194800 -72.5916 50.164 -26.22 50.1641 34.792 -17.9074 -26.22 -17.9074 62.3496 GPRESSAVG: 2194800 -72.4637 50.4114 -28.0247 49.7491 34.3379 -17.9576 -25.3811 -18.2757 62.0138 TIMING: 2194800 CPU: 6534.05, 0.00301365/step Wall: 6534.05, 0.00301365/step, 2.3483 hours remaining, 206.574219 MB of memory in use. ENERGY: 2194800 741.6155 2069.4245 1949.5888 122.3305 -205490.2786 17500.0258 0.0000 0.0000 34500.1565 -148607.1369 301.2984 -183107.2934 -148508.5173 301.4153 -197.2725 -167.6261 558934.2848 8.1833 7.9627 PRESSURE: 2195000 -42.4531 -3.20466 -140.274 -3.20501 -81.9722 183.799 -140.273 183.799 210.742 GPRESSURE: 2195000 -53.8469 0.19468 -94.8352 39.7819 -97.7508 177.14 -153.8 77.0866 312.31 PRESSAVG: 2195000 27.5918 23.7317 16.9549 23.7318 -8.98832 52.5249 16.9549 52.5249 4.29097 GPRESSAVG: 2195000 27.0795 25.1544 18.3283 23.8165 -9.19822 51.647 16.9938 50.484 4.63552 TIMING: 2195000 CPU: 6534.65, 0.00298002/step Wall: 6534.65, 0.00298002/step, 2.32193 hours remaining, 206.574219 MB of memory in use. ENERGY: 2195000 739.3353 2083.3166 1959.4920 127.3031 -206079.8460 17987.0959 0.0000 0.0000 34606.4285 -148576.8746 302.2265 -183183.3031 -148485.9160 301.3801 28.7722 53.5709 559148.1083 7.6315 7.5056 PRESSURE: 2195200 -173.257 -76.208 38.2041 -76.2083 42.5191 88.5269 38.2047 88.5265 -26.2582 GPRESSURE: 2195200 -185.869 -43.4739 -0.568956 32.3072 65.1733 42.6749 -63.3951 120.464 64.2113 PRESSAVG: 2195200 -3.86792 31.7345 -5.57058 31.7345 4.21861 -39.7856 -5.5706 -39.7855 21.2137 GPRESSAVG: 2195200 -4.80125 31.6937 -7.57778 32.0242 4.42769 -41.6795 -5.60989 -37.287 21.5729 TIMING: 2195200 CPU: 6535.25, 0.00298921/step Wall: 6535.25, 0.00298921/step, 2.32893 hours remaining, 206.574219 MB of memory in use. ENERGY: 2195200 767.1538 2103.7580 1908.6201 115.5261 -205704.4791 17693.0435 0.0000 0.0000 34605.9690 -148510.4087 302.2225 -183116.3777 -148412.7848 301.4868 -52.3322 -18.8280 557873.7574 7.1881 7.0665 PRESSURE: 2195400 267.667 37.4099 -132.11 37.4105 162.579 -42.198 -132.109 -42.1966 33.0729 GPRESSURE: 2195400 292.624 72.9167 -81.0101 39.8382 221.09 -10.703 -151.056 -69.7397 50.5547 PRESSAVG: 2195400 -16.0457 36.265 26.7757 36.265 7.20935 -4.05981 26.7757 -4.05982 -9.92564 GPRESSAVG: 2195400 -15.0864 35.0727 28.356 36.3051 6.33561 -3.35729 28.1192 -3.50802 -10.1713 TIMING: 2195400 CPU: 6535.85, 0.00300867/step Wall: 6535.85, 0.00300867/step, 2.34392 hours remaining, 206.574219 MB of memory in use. ENERGY: 2195400 733.2453 2100.6170 1952.4877 113.3930 -206097.9767 18068.4456 0.0000 0.0000 34423.9082 -148705.8799 300.6326 -183129.7880 -148611.8330 300.9205 154.4398 188.0894 557329.7312 -6.2540 -6.3074 PRESSURE: 2195600 -100.338 -1.9273 34.6008 -1.92789 168.859 46.2393 34.5995 46.2407 -77.4964 GPRESSURE: 2195600 -18.2818 -24.3395 -74.1063 -5.25885 144.116 135.863 -42.9506 -2.86895 -40.151 PRESSAVG: 2195600 -31.284 54.1177 2.28249 54.1176 92.167 -20.2416 2.28255 -20.2415 -62.9689 GPRESSAVG: 2195600 -32.0851 54.3447 0.798788 53.5212 93.0072 -19.6677 0.971665 -20.6731 -63.2606 TIMING: 2195600 CPU: 6536.46, 0.00303521/step Wall: 6536.46, 0.00303521/step, 2.36443 hours remaining, 206.574219 MB of memory in use. ENERGY: 2195600 760.5480 2152.5614 1935.0840 115.2733 -205927.4366 17691.2363 0.0000 0.0000 34639.1285 -148633.6052 302.5121 -183272.7337 -148541.2661 301.1646 -2.9916 28.5611 556641.8291 -0.6953 -0.7795 PRESSURE: 2195800 333.633 123.935 120.842 123.935 336.129 161.287 120.842 161.287 -92.3771 GPRESSURE: 2195800 348.129 52.3392 110.976 55.52 353.086 132.595 54.7606 141.876 -44.1398 PRESSAVG: 2195800 -1.53088 3.64317 23.6091 3.6431 -32.8111 17.3148 23.6092 17.315 -11.6849 GPRESSAVG: 2195800 -1.43618 1.42451 25.6482 5.11135 -34.0641 16.1872 23.8772 17.1078 -10.6735 TIMING: 2195800 CPU: 6537.06, 0.00302609/step Wall: 6537.06, 0.00302608/step, 2.35715 hours remaining, 206.574219 MB of memory in use. ENERGY: 2195800 717.0789 2142.3763 1945.7914 101.5359 -206245.8852 18104.9082 0.0000 0.0000 34345.9027 -148888.2919 299.9513 -183234.1946 -148789.5560 301.0545 192.4618 219.0250 557599.9661 -15.3423 -15.3913 PRESSURE: 2196000 19.43 -75.8394 -101.705 -75.8379 84.3574 84.9531 -101.705 84.9516 321.371 GPRESSURE: 2196000 155.599 -161.279 -39.2179 -49.2911 100.409 113.004 -154.547 73.3485 251.383 PRESSAVG: 2196000 4.26734 28.3536 -12.1339 28.3536 14.2056 52.7742 -12.1339 52.7742 8.19798 GPRESSAVG: 2196000 4.66307 32.1338 -12.7022 26.2981 14.5844 52.4436 -12.405 52.7782 7.28438 TIMING: 2196000 CPU: 6537.67, 0.00302597/step Wall: 6537.67, 0.00302597/step, 2.3569 hours remaining, 206.574219 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: 2196000 736.8501 2131.8806 1963.3265 111.2037 -206323.5183 18106.9189 0.0000 0.0000 34265.7086 -149007.6300 299.2510 -183273.3386 -148913.0360 300.0066 141.7194 169.1302 559092.7176 8.8903 8.8439 PRESSURE: 2196200 -195.7 57.2116 -70.3833 57.2103 193.729 -93.067 -70.3845 -93.0675 141.491 GPRESSURE: 2196200 -178.783 107.46 -15.958 -78.7423 239.201 -31.0282 -131.117 -105.21 173.83 PRESSAVG: 2196200 22.3036 -16.5475 -54.1116 -16.5476 -84.0244 10.5714 -54.1117 10.5715 77.2225 GPRESSAVG: 2196200 22.391 -17.5947 -53.6837 -15.1756 -83.8757 11.4105 -55.6869 12.5698 76.8545 TIMING: 2196200 CPU: 6538.27, 0.00302122/step Wall: 6538.27, 0.00302122/step, 2.35303 hours remaining, 206.574219 MB of memory in use. ENERGY: 2196200 789.3625 2104.7381 1949.3171 115.1426 -206263.9910 18048.9666 0.0000 0.0000 34162.5687 -149093.8953 298.3502 -183256.4641 -149002.4064 300.6008 46.5067 78.0827 558920.5515 5.1673 5.1233 LDB: ============= START OF LOAD BALANCING ============== 6541.7 LDB: ============== END OF LOAD BALANCING =============== 6541.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6541.7 LDB: ============= START OF LOAD BALANCING ============== 6542 LDB: Largest compute 4849 load 0.024439 is 20.7% of average load 0.118077 LDB: Average compute 0.001719 is 1.5% of average load 0.118077 LDB: TIME 6542.01 LOAD: AVG 0.118077 MAX 0.20829 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 6542.01 LOAD: AVG 0.118077 MAX 0.20829 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 6542.01 LOAD: AVG 0.118077 MAX 0.20829 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6542.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6542.01 PRESSURE: 2196400 -142.048 -33.3985 -93.6528 -33.3983 85.3756 -29.4693 -93.6534 -29.4698 30.2531 GPRESSURE: 2196400 -166.109 -46.5582 -144.034 86.091 148.052 -75.5246 -107.027 43.7513 97.3495 PRESSAVG: 2196400 -8.00001 -2.04306 -46.9623 -2.04299 33.5207 -19.2254 -46.9624 -19.2253 -22.3457 GPRESSAVG: 2196400 -8.11271 -3.69848 -47.7154 -0.0571959 32.4303 -19.9217 -46.4603 -21.0388 -21.3008 TIMING: 2196400 CPU: 6538.88, 0.00306093/step Wall: 6538.88, 0.00306093/step, 2.38378 hours remaining, 206.644531 MB of memory in use. ENERGY: 2196400 764.3476 2124.1588 1953.7636 115.3238 -205971.7127 17707.1793 0.0000 0.0000 34321.2248 -148985.7148 299.7358 -183306.9395 -148895.6175 299.3989 -8.8065 26.4306 558534.3331 1.0583 1.0056 PRESSURE: 2196600 15.3489 111.029 -85.4009 111.029 -49.602 48.0776 -85.401 48.0761 38.7412 GPRESSURE: 2196600 67.5159 -37.8741 -0.968318 165.762 3.73054 -66.9156 -118.739 113.668 39.0466 PRESSAVG: 2196600 -7.29255 39.4518 16.6766 39.4518 5.91305 -32.8693 16.6766 -32.8692 8.37284 GPRESSAVG: 2196600 -6.3082 40.731 16.4248 37.5497 5.90289 -32.8809 16.855 -32.5391 7.35707 TIMING: 2196600 CPU: 6539.48, 0.00299201/step Wall: 6539.48, 0.00299201/step, 2.32994 hours remaining, 206.644531 MB of memory in use. ENERGY: 2196600 710.9295 2162.1252 1939.8962 109.9033 -205906.2131 17788.1188 0.0000 0.0000 34131.8967 -149063.3433 298.0823 -183195.2400 -148967.9436 299.2340 1.4960 36.7644 558770.6830 2.3311 2.3173 PRESSURE: 2196800 -82.7533 134.015 -41.5151 134.015 -96.9527 52.2464 -41.5153 52.2464 -20.1039 GPRESSURE: 2196800 -50.1107 268.749 -55.1487 39.7312 22.0427 140.388 -47.8453 67.4765 -77.8332 PRESSAVG: 2196800 77.8356 13.4122 2.18848 13.4122 -28.9783 23.7506 2.18858 23.7508 -34.898 GPRESSAVG: 2196800 77.0402 14.422 0.830969 12.6877 -27.8683 25.8232 2.18278 22.6109 -34.7882 TIMING: 2196800 CPU: 6540.08, 0.00299773/step Wall: 6540.08, 0.00299773/step, 2.33424 hours remaining, 206.644531 MB of memory in use. ENERGY: 2196800 740.8677 2149.5900 1918.1650 113.9525 -206236.6539 17908.7646 0.0000 0.0000 34186.9999 -149218.3142 298.5636 -183405.3141 -149133.7886 299.6771 -66.6033 -35.3004 558740.9621 4.6531 4.7946 PRESSURE: 2197000 97.2888 -19.759 7.6824 -19.7587 302.862 88.6118 7.68356 88.6111 -90.9037 GPRESSURE: 2197000 141.317 -65.5955 -21.4973 -1.88697 303.59 58.4372 -2.22537 32.8778 -38.5433 PRESSAVG: 2197000 51.5586 38.0428 1.72487 38.0429 -16.1506 56.1384 1.72485 56.1384 -7.59117 GPRESSAVG: 2197000 53.1181 36.3739 2.59205 39.9535 -17.3259 55.7223 4.99303 55.6081 -7.25592 TIMING: 2197000 CPU: 6540.68, 0.0030119/step Wall: 6540.68, 0.0030119/step, 2.3451 hours remaining, 206.644531 MB of memory in use. ENERGY: 2197000 760.5565 2097.1868 1934.9121 113.1028 -206482.7012 17965.3650 0.0000 0.0000 34334.3720 -149277.2060 299.8506 -183611.5780 -149182.7684 298.9254 103.0824 135.4548 557943.6596 9.2723 9.5121 PRESSURE: 2197200 -19.8774 90.5508 -107.895 90.5517 -65.9726 62.2009 -107.895 62.2001 -171.273 GPRESSURE: 2197200 14.2614 213.995 -120.258 47.3443 -38.5241 45.5918 -147.13 71.5268 -138.898 PRESSAVG: 2197200 28.4594 10.0268 -1.22033 10.0268 11.5362 53.6451 -1.2205 53.6451 -19.6685 GPRESSAVG: 2197200 28.1991 8.8973 0.0135236 9.79929 11.1499 53.544 -4.69036 53.7379 -19.4631 TIMING: 2197200 CPU: 6541.28, 0.00300431/step Wall: 6541.28, 0.00300431/step, 2.33903 hours remaining, 206.644531 MB of memory in use. ENERGY: 2197200 716.8457 2098.2101 1938.6429 119.0656 -206113.7590 17671.3503 0.0000 0.0000 34299.5243 -149270.1201 299.5463 -183569.6444 -149168.6248 299.5021 -85.7078 -54.3867 558256.2276 6.7757 6.6286 PRESSURE: 2197400 -152.924 197.804 69.8833 197.804 -190.832 33.2844 69.8839 33.282 12.3889 GPRESSURE: 2197400 -80.7732 90.3047 -19.2458 209.425 -136.595 63.3574 59.613 62.0814 -10.8774 PRESSAVG: 2197400 6.69893 -7.0781 -2.91707 -7.07804 1.85442 11.4264 -2.91707 11.4264 -16.305 GPRESSAVG: 2197400 5.76706 -3.94459 -3.07536 -9.3419 4.0633 11.8672 -1.28547 13.157 -17.1961 TIMING: 2197400 CPU: 6541.89, 0.00301454/step Wall: 6541.89, 0.00301454/step, 2.34682 hours remaining, 206.644531 MB of memory in use. ENERGY: 2197400 742.3846 2066.8908 1940.5448 108.0239 -206341.5300 17827.6007 0.0000 0.0000 34333.6322 -149322.4531 299.8441 -183656.0853 -149224.3283 299.2739 -110.4557 -76.0818 557726.5352 -2.5839 -2.4552 PRESSURE: 2197600 49.7489 26.2227 -126.104 26.2225 -158.615 55.9794 -126.106 55.9779 82.2156 GPRESSURE: 2197600 67.8448 4.86371 -52.585 52.085 -139.594 -16.2213 -144.657 92.2457 142.47 PRESSAVG: 2197600 54.0792 -29.7587 55.773 -29.7587 -62.4375 55.9147 55.773 55.9147 34.1876 GPRESSAVG: 2197600 54.1473 -30.9828 54.4569 -26.5036 -63.5412 56.0443 55.1579 55.1526 34.9231 TIMING: 2197600 CPU: 6542.49, 0.00299979/step Wall: 6542.49, 0.00299979/step, 2.33517 hours remaining, 206.644531 MB of memory in use. ENERGY: 2197600 725.6013 2083.6783 1979.5497 110.2828 -206139.6747 17918.2333 0.0000 0.0000 34172.1407 -149150.1884 298.4338 -183322.3292 -149054.6435 299.2745 -8.8834 23.5735 559314.8080 8.6098 8.5097 PRESSURE: 2197800 -140.499 -21.4402 -35.3391 -21.4402 86.9815 -73.9817 -35.34 -73.9811 -91.6682 GPRESSURE: 2197800 -70.6104 -20.6105 -92.4995 -61.7699 126.027 -95.2646 -17.0792 3.11209 -108.271 PRESSAVG: 2197800 -39.6958 0.644289 -11.9353 0.644287 33.8114 21.361 -11.9353 21.361 -19.1806 GPRESSAVG: 2197800 -40.2939 0.439692 -10.0845 0.124914 34.2772 20.5092 -13.3038 21.7192 -19.2001 TIMING: 2197800 CPU: 6543.09, 0.00299148/step Wall: 6543.09, 0.00299148/step, 2.32853 hours remaining, 206.644531 MB of memory in use. ENERGY: 2197800 755.8613 2135.3194 1930.1154 105.9172 -206070.2689 17728.7532 0.0000 0.0000 34300.1510 -149114.1514 299.5517 -183414.3023 -149021.9644 299.0510 -48.3954 -17.6182 556395.9149 -8.3550 -8.4056 PRESSURE: 2198000 -89.3087 88.199 184.384 88.1991 73.9742 -36.9102 184.384 -36.9101 -158.843 GPRESSURE: 2198000 -53.9516 29.0903 184.888 141.843 85.5857 -111.413 159.324 -20.6286 -111.747 PRESSAVG: 2198000 10.882 -11.7641 -24.4237 -11.764 9.57968 0.85981 -24.4237 0.859775 -21.2136 GPRESSAVG: 2198000 10.2774 -12.8761 -25.4108 -14.3961 10.4157 -0.160288 -23.4297 2.38093 -21.1939 TIMING: 2198000 CPU: 6543.68, 0.00298371/step Wall: 6543.68, 0.00298371/step, 2.32232 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: 2198000 688.6617 2078.7704 1936.1254 123.6061 -206040.9588 17707.9918 0.0000 0.0000 34327.0222 -149178.7813 299.7864 -183505.8034 -149080.1638 299.5117 -58.0592 -26.7043 557609.3150 -0.2506 -0.1670 PRESSURE: 2198200 364.659 -2.79236 -13.7593 -2.79245 -163.991 -44.7231 -13.7592 -44.7235 70.565 GPRESSURE: 2198200 360.894 -60.3378 93.2954 122.813 -115.303 -26.5967 -61.8919 -24.532 119.979 PRESSAVG: 2198200 12.1656 21.9864 -19.3617 21.9863 -64.5964 -7.14083 -19.3617 -7.14088 41.5298 GPRESSAVG: 2198200 13.6592 22.4858 -17.4307 23.3993 -66.7422 -7.27272 -20.5754 -9.38688 41.9013 TIMING: 2198200 CPU: 6544.28, 0.00297768/step Wall: 6544.28, 0.00297768/step, 2.31747 hours remaining, 206.644531 MB of memory in use. ENERGY: 2198200 697.8680 2067.4355 1950.6286 113.0131 -206303.3688 17970.9369 0.0000 0.0000 34279.4755 -149224.0112 299.3712 -183503.4867 -149127.9403 299.3787 90.4109 121.8567 558141.8516 -3.6337 -3.7272 PRESSURE: 2198400 -127.251 -45.455 -43.9248 -45.4555 -318.433 -205.456 -43.9254 -205.456 65.4026 GPRESSURE: 2198400 -95.7825 -7.90455 -114.949 -33.9007 -250.505 -233.79 -53.8092 -95.8202 70.0254 PRESSAVG: 2198400 42.2691 -6.63789 72.4173 -6.63794 -27.9568 8.34085 72.4173 8.3409 39.1474 GPRESSAVG: 2198400 41.7335 -6.71894 69.9362 -5.98853 -27.6897 11.026 74.5464 7.0394 39.2327 TIMING: 2198400 CPU: 6544.88, 0.00299917/step Wall: 6544.88, 0.00299917/step, 2.33402 hours remaining, 206.644531 MB of memory in use. ENERGY: 2198400 741.7332 2023.5536 1955.7033 128.7260 -206220.4816 17749.2194 0.0000 0.0000 34366.8194 -149254.7266 300.1340 -183621.5460 -149154.7488 299.3231 -126.7603 -92.0875 557703.6478 17.8199 17.7588 PRESSURE: 2198600 -278.6 -45.3 43.7101 -45.2991 -220.822 101.239 43.7106 101.239 -139.775 GPRESSURE: 2198600 -239.06 -80.1737 20.389 -38.8618 -172.204 208.265 96.6718 40.9955 -127.299 PRESSAVG: 2198600 30.6782 9.64289 -35.2572 9.64283 1.68943 -53.1851 -35.2572 -53.1851 -13.4618 GPRESSAVG: 2198600 30.6988 10.2859 -35.3992 7.4892 0.821585 -53.508 -35.2272 -52.0751 -12.5928 TIMING: 2198600 CPU: 6545.48, 0.00298735/step Wall: 6545.48, 0.00298735/step, 2.32466 hours remaining, 206.644531 MB of memory in use. ENERGY: 2198600 743.0394 2088.6623 1939.2824 97.3196 -206198.7679 17652.6497 0.0000 0.0000 34376.2840 -149301.5305 300.2166 -183677.8145 -149196.8870 299.1298 -213.0658 -179.5210 556604.8530 6.3019 6.3092 PRESSURE: 2198800 13.7978 104.041 32.6707 104.041 109.966 9.46876 32.6701 9.46889 53.4666 GPRESSURE: 2198800 77.7165 153.529 3.08088 114.348 137.166 -40.9519 13.836 -127.045 58.9118 PRESSAVG: 2198800 -18.8756 -7.63925 37.9336 -7.63928 7.80256 -3.83052 37.9337 -3.83046 35.5597 GPRESSAVG: 2198800 -19.5389 -8.30961 38.2889 -6.95132 9.48288 -4.31483 36.8174 -4.36206 35.0714 TIMING: 2198800 CPU: 6546.08, 0.00302557/step Wall: 6546.08, 0.00302557/step, 2.35423 hours remaining, 206.644531 MB of memory in use. ENERGY: 2198800 727.5859 2080.6292 1936.8076 100.5431 -206565.0833 18111.6091 0.0000 0.0000 34309.0072 -149298.9012 299.6291 -183607.9084 -149200.9172 299.1532 59.0768 91.2649 557109.1465 8.1622 8.3385 PRESSURE: 2199000 -437.576 23.126 25.2776 23.1257 -174.469 12.6069 25.2779 12.6088 -103.912 GPRESSURE: 2199000 -328.816 85.9742 80.0167 19.8647 -205.092 -21.1445 18.6863 91.1165 -79.8591 PRESSAVG: 2199000 -54.8778 11.6746 19.9065 11.6746 5.43926 1.96993 19.9065 1.9699 -22.6611 GPRESSAVG: 2199000 -54.0268 11.6284 20.6633 12.6619 5.06023 2.54577 20.789 1.89183 -23.6997 TIMING: 2199000 CPU: 6546.68, 0.00299866/step Wall: 6546.68, 0.00299866/step, 2.33313 hours remaining, 206.644531 MB of memory in use. ENERGY: 2199000 739.3596 2088.7162 1951.6399 104.7795 -206229.7390 17704.7156 0.0000 0.0000 34172.6071 -149467.9210 298.4379 -183640.5282 -149370.0250 297.7852 -238.6522 -204.5889 559150.0878 -24.0332 -24.2221 PRESSURE: 2199200 -257.806 -133.547 263.579 -133.548 47.853 -110.984 263.579 -110.985 138.543 GPRESSURE: 2199200 -143.252 -90.9121 201.578 -154.159 -5.12363 -103.914 231.151 -117.818 170.617 PRESSAVG: 2199200 -51.8577 34.162 25.6617 34.162 15.4112 53.7157 25.6617 53.7158 54.2051 GPRESSAVG: 2199200 -52.6315 35.8356 24.7346 33.1999 14.9321 51.0827 25.5844 55.6861 55.4306 TIMING: 2199200 CPU: 6547.28, 0.00300574/step Wall: 6547.28, 0.00300574/step, 2.33846 hours remaining, 206.644531 MB of memory in use. ENERGY: 2199200 695.8542 2078.4808 1914.4928 101.8942 -206406.4325 17900.7781 0.0000 0.0000 34246.8031 -149468.1293 299.0858 -183714.9324 -149364.1569 298.6785 -23.8033 7.4137 558668.1298 5.9195 5.9104 PRESSURE: 2199400 -137.091 -157.532 -16.0656 -157.533 -92.5201 12.392 -16.0658 12.3918 177.554 GPRESSURE: 2199400 -133.151 -117.121 33.954 -158.181 -64.0599 64.6598 -43.2274 -74.6673 223.191 PRESSAVG: 2199400 -88.4107 11.2076 41.7718 11.2075 -40.8702 -16.3532 41.7719 -16.3531 59.1045 GPRESSAVG: 2199400 -87.8511 9.91107 43.3162 11.1542 -40.389 -13.2161 40.6236 -17.4925 58.7711 TIMING: 2199400 CPU: 6547.88, 0.00301079/step Wall: 6547.88, 0.00301079/step, 2.34223 hours remaining, 206.644531 MB of memory in use. ENERGY: 2199400 756.9286 2110.4126 1958.3589 106.2198 -206555.1058 17871.6155 0.0000 0.0000 34343.7395 -149407.8308 299.9324 -183751.5703 -149311.3372 298.9344 -17.3524 8.6601 558914.8731 -23.3922 -23.1563 PRESSURE: 2199600 94.7654 -80.5323 129.111 -80.5316 -124.907 82.748 129.112 82.7468 46.8917 GPRESSURE: 2199600 99.9455 -115.459 78.9466 -85.6536 -51.0985 34.385 208.243 124.211 52.7807 PRESSAVG: 2199600 -27.8179 -18.6387 54.4704 -18.6388 -2.26887 33.2145 54.4704 33.2144 26.4888 GPRESSAVG: 2199600 -27.553 -18.0414 55.2344 -18.4937 -2.84693 31.8981 55.5173 33.9046 27.1183 TIMING: 2199600 CPU: 6548.48, 0.00300506/step Wall: 6548.48, 0.00300506/step, 2.3376 hours remaining, 206.644531 MB of memory in use. ENERGY: 2199600 755.2791 2108.9343 1907.3961 112.5091 -206420.5144 18035.0386 0.0000 0.0000 34160.7630 -149340.5943 298.3344 -183501.3573 -149248.7403 298.8498 5.5835 33.8759 558339.1247 -1.1993 -1.0939 PRESSURE: 2199800 -31.0576 124.941 39.6575 124.941 104.783 -102.122 39.6581 -102.122 -86.8002 GPRESSURE: 2199800 10.7644 87.2014 72.3038 122.901 98.7116 -157.034 52.2432 -109.031 -18.9685 PRESSAVG: 2199800 22.3537 -7.35291 26.0979 -7.35291 -13.5766 -2.73297 26.0979 -2.73292 49.9441 GPRESSAVG: 2199800 21.008 -7.63727 25.9245 -5.80275 -12.389 -2.86424 26.2667 -2.9178 50.543 TIMING: 2199800 CPU: 6549.08, 0.00299703/step Wall: 6549.08, 0.00299703/step, 2.33119 hours remaining, 206.644531 MB of memory in use. ENERGY: 2199800 734.8567 2154.2093 1946.4063 109.6107 -206352.8027 17734.3850 0.0000 0.0000 34296.4610 -149376.8737 299.5195 -183673.3347 -149289.3373 298.1441 -4.3582 30.1692 556741.7139 19.5737 19.7206 PRESSURE: 2200000 -49.5576 -69.8868 119.487 -69.8845 -125.554 108.715 119.488 108.715 -61.0329 GPRESSURE: 2200000 -24.0849 -44.4368 118.028 -79.2471 -129.795 200.85 165.921 127.425 21.6613 PRESSAVG: 2200000 0.309817 -30.3642 9.04149 -30.3642 90.8516 82.2031 9.04154 82.203 -50.6366 GPRESSAVG: 2200000 0.927943 -30.7183 8.25276 -30.7663 89.875 82.5787 7.6425 79.1699 -50.3663 TIMING: 2200000 CPU: 6549.68, 0.00298022/step Wall: 6549.68, 0.00298022/step, 2.31795 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: 2200000 726.4367 2130.5039 1935.3815 116.0428 -206019.9819 17475.2487 0.0000 0.0000 34186.0373 -149450.3310 298.5552 -183636.3683 -149361.0471 298.5352 -78.7149 -44.0727 556695.6072 13.5083 13.4789 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2200000 WRITING COORDINATES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2200200 -87.7321 58.0683 -18.4632 58.0684 -8.53551 -129.225 -18.4629 -129.225 146.078 GPRESSURE: 2200200 -35.8106 -45.6115 -60.1603 116.093 -11.7594 -161.113 19.2351 -28.3547 203.108 PRESSAVG: 2200200 -18.4936 -55.2207 -30.6685 -55.2207 6.22669 -13.6146 -30.6685 -13.6146 15.989 GPRESSAVG: 2200200 -19.8483 -55.8439 -30.9944 -53.7981 8.10186 -15.2956 -30.9913 -10.6612 15.3816 TIMING: 2200200 CPU: 6550.29, 0.00304841/step Wall: 6550.29, 0.00304841/step, 2.37082 hours remaining, 206.769531 MB of memory in use. ENERGY: 2200200 735.3809 2076.6555 1939.4079 116.8394 -206604.0113 17901.2358 0.0000 0.0000 34315.3486 -149519.1433 299.6845 -183834.4918 -149421.1051 299.2733 16.6033 51.8460 556767.3919 1.2407 1.2117 LDB: ============= START OF LOAD BALANCING ============== 6553.72 LDB: ============== END OF LOAD BALANCING =============== 6553.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6553.72 LDB: ============= START OF LOAD BALANCING ============== 6554.02 LDB: Largest compute 4849 load 0.025063 is 21.2% of average load 0.118007 LDB: Average compute 0.001716 is 1.5% of average load 0.118007 LDB: TIME 6554.03 LOAD: AVG 0.118007 MAX 0.201642 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 6554.03 LOAD: AVG 0.118007 MAX 0.201642 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.98 MB LDB: TIME 6554.03 LOAD: AVG 0.118007 MAX 0.201642 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.98 MB LDB: ============== END OF LOAD BALANCING =============== 6554.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6554.03 PRESSURE: 2200400 87.6657 93.6953 -75.8892 93.6951 116.015 -56.772 -75.8886 -56.771 223.928 GPRESSURE: 2200400 93.0238 98.5244 -68.5364 101.065 156.594 -80.3265 -145.623 -32.9947 264.216 PRESSAVG: 2200400 -29.3989 60.2867 -35.6663 60.2867 -16.2665 46.5939 -35.6662 46.5939 83.6482 GPRESSAVG: 2200400 -27.6785 60.7736 -35.4075 57.7422 -17.8526 47.265 -34.0475 45.7645 82.7066 TIMING: 2200400 CPU: 6550.9, 0.00306608/step Wall: 6550.9, 0.00306608/step, 2.38439 hours remaining, 206.199219 MB of memory in use. ENERGY: 2200400 755.9145 2132.5657 1969.8671 119.6277 -206688.1830 18151.9347 0.0000 0.0000 34109.9245 -149448.3488 297.8905 -183558.2733 -149348.5759 298.3188 142.5364 171.2781 557444.0987 12.6609 12.3918 PRESSURE: 2200600 2.32887 68.7277 -39.1672 68.7265 -98.4093 -17.9831 -39.1685 -17.9831 -66.8201 GPRESSURE: 2200600 54.7264 28.3757 -6.35914 50.6239 -43.7292 41.3647 -68.4978 -8.47909 -76.718 PRESSAVG: 2200600 41.3116 13.4229 21.2215 13.4229 3.4666 -16.7838 21.2214 -16.7839 -39.2874 GPRESSAVG: 2200600 41.1511 14.4343 21.6311 14.7867 2.93249 -15.5793 20.1922 -15.9365 -39.0941 TIMING: 2200600 CPU: 6551.51, 0.00301747/step Wall: 6551.51, 0.00301747/step, 2.34642 hours remaining, 206.199219 MB of memory in use. ENERGY: 2200600 754.9662 2095.6960 1966.8476 120.8749 -206452.1712 17793.9500 0.0000 0.0000 34110.5661 -149609.2704 297.8961 -183719.8365 -149507.7349 297.7965 -54.3002 -21.9069 557381.1340 1.8303 1.6632 PRESSURE: 2200800 -251.251 80.8409 120.595 80.84 -178.423 -39.5292 120.594 -39.5294 -61.039 GPRESSURE: 2200800 -192.373 42.5941 63.7493 -33.0728 -140.54 -58.9824 127.446 -36.6343 -70.7666 PRESSAVG: 2200800 84.1326 7.62511 43.9577 7.62527 -70.635 -2.74934 43.9578 -2.74948 -24.4967 GPRESSAVG: 2200800 83.6002 7.29621 42.4744 4.53191 -71.1435 -4.26416 43.9458 -3.28687 -24.1887 TIMING: 2200800 CPU: 6552.1, 0.00297499/step Wall: 6552.1, 0.00297499/step, 2.31322 hours remaining, 206.199219 MB of memory in use. ENERGY: 2200800 729.1328 2126.9980 1942.3595 101.4501 -206096.3473 17563.9264 0.0000 0.0000 34059.4020 -149573.0785 297.4492 -183632.4805 -149477.2123 298.3815 -163.5711 -134.5601 558342.8691 -3.6664 -3.9107 PRESSURE: 2201000 186.731 84.0122 3.67813 84.0127 148.702 76.6142 3.67884 76.6118 156.793 GPRESSURE: 2201000 167.658 69.5939 48.8367 45.7676 249.987 121.578 86.5031 28.7945 176.557 PRESSAVG: 2201000 -14.7173 61.9521 30.2081 61.9522 -68.935 21.3045 30.2081 21.3043 49.0439 GPRESSAVG: 2201000 -14.9336 62.8511 30.1148 61.9579 -67.2371 22.2652 31.043 22.2325 47.2836 TIMING: 2201000 CPU: 6552.7, 0.00298704/step Wall: 6552.7, 0.00298704/step, 2.32242 hours remaining, 206.199219 MB of memory in use. ENERGY: 2201000 757.6444 2097.5461 1933.8316 108.0511 -206810.9776 18029.3724 0.0000 0.0000 34143.4435 -149741.0886 298.1832 -183884.5321 -149640.3877 297.4832 164.0754 198.0673 556600.0216 -11.5361 -11.6290 PRESSURE: 2201200 25.3375 27.1306 39.6963 27.1302 227.873 46.084 39.6956 46.0831 331.53 GPRESSURE: 2201200 75.2247 -14.5692 29.9553 52.3208 261.945 43.6951 -6.73837 17.9703 356.383 PRESSAVG: 2201200 -18.2571 16.4526 18.7514 16.4527 24.7672 33.153 18.7514 33.1528 -3.59058 GPRESSAVG: 2201200 -18.4597 14.7957 18.1283 17.3586 24.3185 33.3992 19.8757 32.9521 -2.91866 TIMING: 2201200 CPU: 6553.3, 0.00299872/step Wall: 6553.3, 0.00299872/step, 2.33134 hours remaining, 206.199219 MB of memory in use. ENERGY: 2201200 779.2015 2124.6388 1940.4762 106.4746 -207071.5097 18256.4037 0.0000 0.0000 34210.2430 -149654.0719 298.7666 -183864.3149 -149555.8434 297.8174 194.9135 231.1845 555722.6636 0.9732 0.9800 PRESSURE: 2201400 -216.111 -61.5539 -27.1307 -61.5543 -152.279 3.33991 -27.1304 3.33974 162.688 GPRESSURE: 2201400 -167.811 -156.305 -3.46369 -16.57 -120.581 3.93525 68.8576 -59.1201 195.823 PRESSAVG: 2201400 -72.3188 8.48296 14.301 8.48286 38.3086 28.8459 14.3009 28.8458 54.0925 GPRESSAVG: 2201400 -71.5842 8.31389 14.4191 9.32334 38.0071 29.6297 15.5899 26.8472 53.9242 TIMING: 2201400 CPU: 6553.9, 0.00301181/step Wall: 6553.9, 0.00301181/step, 2.34135 hours remaining, 206.199219 MB of memory in use. ENERGY: 2201400 769.3114 2099.6297 1939.3928 110.6065 -206871.5348 18045.5635 0.0000 0.0000 34204.9244 -149702.1067 298.7201 -183907.0311 -149601.8027 298.3009 -68.5675 -30.8565 557244.1847 6.6941 6.7824 PRESSURE: 2201600 -25.1673 105.613 108.518 105.614 150.058 49.0376 108.519 49.0379 -222.538 GPRESSURE: 2201600 -57.8969 146.291 35.8169 115.289 200.358 93.8616 132.769 88.0576 -152.842 PRESSAVG: 2201600 -18.6682 7.85525 27.2431 7.8553 43.0777 -10.7844 27.2429 -10.7844 -60.9243 GPRESSAVG: 2201600 -19.1104 10.2589 28.2942 7.41388 43.7458 -12.3392 24.7236 -10.7273 -61.0157 TIMING: 2201600 CPU: 6554.51, 0.0030408/step Wall: 6554.51, 0.0030408/step, 2.36371 hours remaining, 206.199219 MB of memory in use. ENERGY: 2201600 743.8431 2080.9182 1951.8647 124.3183 -206590.6522 17958.9689 0.0000 0.0000 33940.5740 -149790.1650 296.4115 -183730.7390 -149696.1486 297.6369 -32.5493 -3.4601 558663.5899 -12.1716 -12.1267 PRESSURE: 2201800 141.868 154 -67.2984 154 -271.817 4.71388 -67.2998 4.71436 64.8777 GPRESSURE: 2201800 172.125 172.93 -72.8476 198.163 -252.199 38.5269 -15.8581 -30.0836 108.773 PRESSAVG: 2201800 -69.7287 60.9799 82.2733 60.98 43.801 -15.4554 82.2732 -15.4555 -1.08756 GPRESSAVG: 2201800 -70.5565 59.5079 81.6181 61.3875 43.2499 -15.3405 83.4496 -14.5633 -0.161175 TIMING: 2201800 CPU: 6555.11, 0.0030197/step Wall: 6555.11, 0.0030197/step, 2.34715 hours remaining, 206.199219 MB of memory in use. ENERGY: 2201800 709.4384 2128.1112 1938.7586 108.2860 -206529.7923 17839.3615 0.0000 0.0000 34180.8690 -149624.9675 298.5100 -183805.8366 -149528.3583 297.2016 -21.6903 9.5663 558346.6991 -9.0051 -9.1559 PRESSURE: 2202000 79.1452 150.724 -37.7814 150.724 -86.3213 -115.273 -37.7803 -115.272 -202.975 GPRESSURE: 2202000 102.455 71.1993 -27.806 177.939 -1.63159 -107.6 -46.9047 -147.054 -215.8 PRESSAVG: 2202000 100.323 49.4983 -1.68635 49.4983 -58.0227 58.7788 -1.68633 58.7787 -19.4763 GPRESSAVG: 2202000 100.895 47.6061 -2.84141 50.1366 -58.2175 59.0385 -3.1241 57.873 -19.7554 TIMING: 2202000 CPU: 6555.72, 0.0030139/step Wall: 6555.72, 0.0030139/step, 2.34247 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: 2202000 738.8464 2042.5079 1929.9951 122.0504 -206359.8729 17784.7363 0.0000 0.0000 33960.9528 -149780.7840 296.5894 -183741.7368 -149686.1639 297.6433 -70.0506 -38.3255 556970.4078 7.6080 7.6408 PRESSURE: 2202200 -309.993 92.6581 7.55045 92.6578 49.0092 -21.0835 7.55061 -21.0839 -190.219 GPRESSURE: 2202200 -286.058 79.1213 66.251 105.799 110.7 -34.9762 -2.39274 16.1875 -175.308 PRESSAVG: 2202200 -61.9038 10.6526 -31.1123 10.6525 45.2173 48.8437 -31.1125 48.8438 -6.02031 GPRESSAVG: 2202200 -62.1564 12.923 -29.9986 8.11915 45.8902 48.089 -30.6761 47.7438 -6.28644 TIMING: 2202200 CPU: 6556.32, 0.00300311/step Wall: 6556.32, 0.00300311/step, 2.33391 hours remaining, 206.199219 MB of memory in use. ENERGY: 2202200 742.3209 2122.8865 1951.4079 116.2253 -206444.5079 17727.7340 0.0000 0.0000 34055.1171 -149728.8162 297.4118 -183783.9333 -149634.4771 297.6000 -150.4012 -116.8886 558210.5262 -7.5689 -7.5175 PRESSURE: 2202400 -366.071 -160.088 -3.44335 -160.089 8.03714 3.27231 -3.4438 3.27407 85.7469 GPRESSURE: 2202400 -294.357 -123.119 66.7657 -199.326 25.596 -4.0745 7.30964 -64.6923 91.0766 PRESSAVG: 2202400 -10.0738 20.0777 57.103 20.0778 13.276 83.4992 57.1031 83.4991 21.0799 GPRESSAVG: 2202400 -9.34741 20.1558 55.7754 20.6653 12.0957 82.2767 56.8142 85.364 21.7061 TIMING: 2202400 CPU: 6556.91, 0.00298668/step Wall: 6556.91, 0.00298668/step, 2.32098 hours remaining, 206.199219 MB of memory in use. ENERGY: 2202400 691.2749 2087.6340 1964.4815 119.1069 -206631.8638 17932.1680 0.0000 0.0000 34286.9273 -149550.2713 299.4363 -183837.1986 -149450.2320 298.6386 -90.7622 -59.2282 559423.2633 8.0940 8.1515 PRESSURE: 2202600 -75.1452 134.993 -133.923 134.994 -57.7538 -38.8748 -133.924 -38.875 -305.821 GPRESSURE: 2202600 -73.9743 131.258 -134.118 91.1304 -24.057 -2.86436 -106.759 3.17543 -247.119 PRESSAVG: 2202600 68.3094 3.10874 2.67299 3.10873 25.5818 12.2799 2.67307 12.2799 -56.6758 GPRESSAVG: 2202600 67.7129 2.39268 4.54294 4.84794 26.9742 12.7848 2.48317 12.2512 -57.6921 TIMING: 2202600 CPU: 6557.52, 0.0030159/step Wall: 6557.52, 0.0030159/step, 2.34352 hours remaining, 206.199219 MB of memory in use. ENERGY: 2202600 722.4092 2101.6651 1951.7508 119.5150 -206140.3816 17719.5328 0.0000 0.0000 34237.1788 -149288.3299 299.0018 -183525.5087 -149193.3564 298.8518 -146.2402 -115.0502 558257.8892 12.4051 12.3317 PRESSURE: 2202800 -203.015 56.0144 62.9372 56.0143 -271.034 85.9948 62.9371 85.9942 41.7346 GPRESSURE: 2202800 -153.779 6.74131 65.3115 32.0701 -211.843 100.621 31.4402 98.9234 35.7941 PRESSAVG: 2202800 -41.2679 11.6156 49.4715 11.6156 12.0335 43.9386 49.4716 43.9386 -3.64374 GPRESSAVG: 2202800 -42.2463 13.2335 48.9155 10.5283 12.5231 46.9824 50.1946 42.7656 -2.45038 TIMING: 2202800 CPU: 6558.12, 0.00300586/step Wall: 6558.12, 0.00300586/step, 2.33556 hours remaining, 206.199219 MB of memory in use. ENERGY: 2202800 725.8881 2080.2776 1965.4879 108.8111 -205923.6260 17557.9372 0.0000 0.0000 34190.5480 -149294.6762 298.5946 -183485.2242 -149189.8331 298.5595 -144.1049 -109.9425 557945.6316 -10.9594 -10.7245 PRESSURE: 2203000 -121.321 -77.8546 7.08202 -77.8557 -171.196 79.1733 7.08273 79.1735 -281.32 GPRESSURE: 2203000 -158.728 -164.451 31.4007 -24.9868 -157.008 -0.345309 98.2671 108.476 -155.974 PRESSAVG: 2203000 -19.4023 29.103 -14.5856 29.1031 -6.58138 68.4546 -14.5855 68.4546 37.3209 GPRESSAVG: 2203000 -18.4477 29.0237 -14.9313 29.9218 -6.38091 67.1715 -14.9372 70.2767 36.2128 TIMING: 2203000 CPU: 6558.72, 0.00302105/step Wall: 6558.72, 0.00302105/step, 2.34719 hours remaining, 206.199219 MB of memory in use. ENERGY: 2203000 764.0948 2060.8487 1942.3513 111.6390 -205666.9933 17379.5325 0.0000 0.0000 34068.9328 -149339.5942 297.5325 -183408.5270 -149245.4183 298.8822 -191.2790 -157.2366 558174.0531 3.7791 3.7947 PRESSURE: 2203200 252.255 -23.1851 112.505 -23.1844 56.6053 -213.734 112.506 -213.733 -241.239 GPRESSURE: 2203200 293.433 -7.14184 120.279 -50.6805 69.9821 -161.385 74.9425 -156.293 -189.652 PRESSAVG: 2203200 54.7787 16.8952 60.4722 16.8952 7.27262 -15.2054 60.4722 -15.2054 -45.5545 GPRESSAVG: 2203200 55.9483 16.4003 59.4929 16.3024 4.99678 -15.7722 59.8645 -14.6868 -44.6833 TIMING: 2203200 CPU: 6559.32, 0.00301272/step Wall: 6559.32, 0.00301272/step, 2.34055 hours remaining, 206.199219 MB of memory in use. ENERGY: 2203200 725.5192 2103.8178 1916.5445 119.0497 -206103.0530 17784.3876 0.0000 0.0000 34063.4696 -149390.2646 297.4848 -183453.7342 -149292.6381 298.8034 22.5406 57.9209 557395.5145 5.4989 5.4206 PRESSURE: 2203400 131.625 -96.9073 11.1284 -96.907 151.496 78.6499 11.1273 78.6487 178.42 GPRESSURE: 2203400 207.373 -163.32 0.0877186 -69.633 171.982 17.7056 -50.0446 40.3578 176.501 PRESSAVG: 2203400 48.4654 -30.7785 42.905 -30.7785 -21.4814 59.6938 42.905 59.6937 16.8172 GPRESSAVG: 2203400 47.9613 -34.0292 43.283 -27.3965 -19.7925 60.3115 43.7832 59.7486 15.6119 TIMING: 2203400 CPU: 6559.93, 0.00302741/step Wall: 6559.93, 0.00302741/step, 2.35179 hours remaining, 206.199219 MB of memory in use. ENERGY: 2203400 699.4771 2006.4612 1923.6402 114.1894 -206376.6004 18036.3050 0.0000 0.0000 33979.0279 -149617.4995 296.7473 -183596.5274 -149514.0835 297.8779 153.8470 185.2854 556926.7448 14.6004 14.5935 PRESSURE: 2203600 -18.2006 -51.7284 158.84 -51.7293 179.626 168.906 158.841 168.907 73.778 GPRESSURE: 2203600 11.2849 -12.186 28.4005 2.94923 217.097 263.183 217.261 125.071 117.43 PRESSAVG: 2203600 -54.9924 7.47039 -3.20865 7.47042 71.4823 51.3193 -3.20864 51.3193 3.07267 GPRESSAVG: 2203600 -55.7973 9.77524 -2.60304 4.76766 71.8686 51.7894 -5.30056 50.4932 3.75448 TIMING: 2203600 CPU: 6560.53, 0.00301348/step Wall: 6560.53, 0.00301348/step, 2.3408 hours remaining, 206.199219 MB of memory in use. ENERGY: 2203600 724.0213 2034.6851 1968.6976 105.2804 -206359.3386 17867.6315 0.0000 0.0000 33984.5264 -149674.4965 296.7953 -183659.0228 -149575.8698 297.8704 78.4010 115.2708 556571.5507 6.5208 6.6086 PRESSURE: 2203800 -224.27 20.289 127.076 20.2901 167.857 17.9065 127.075 17.9047 -145.359 GPRESSURE: 2203800 -160.064 59.0886 169.801 -22.7253 187.569 -12.4895 137.401 -40.726 -131.123 PRESSAVG: 2203800 -39.1033 -57.9346 0.442078 -57.9348 24.7032 57.7392 0.442071 57.739 32.1417 GPRESSAVG: 2203800 -38.1707 -59.1117 0.986505 -57.5854 23.7472 58.1432 -0.722728 58.6947 32.8178 TIMING: 2203800 CPU: 6561.13, 0.00300649/step Wall: 6561.13, 0.00300649/step, 2.33521 hours remaining, 206.199219 MB of memory in use. ENERGY: 2203800 779.9051 2012.6463 1937.0910 113.5432 -206609.5277 17959.0243 0.0000 0.0000 34156.1338 -149651.1839 298.2940 -183807.3177 -149555.8352 297.7323 -67.2573 -34.5392 557726.5731 5.9139 6.1314 PRESSURE: 2204000 -22.4698 -88.9512 68.2834 -88.9496 -178.616 142.897 68.2838 142.895 5.12326 GPRESSURE: 2204000 55.3978 -101.051 35.2293 -23.3057 -169.247 55.7866 27.6008 212.253 26.1009 PRESSAVG: 2204000 0.735178 54.2455 40.7094 54.2455 28.28 39.6348 40.7096 39.6347 6.69883 GPRESSAVG: 2204000 -0.321316 54.3427 39.9794 54.0173 29.1446 37.8121 42.4287 39.7314 7.08717 TIMING: 2204000 CPU: 6561.73, 0.00299395/step Wall: 6561.73, 0.00299395/step, 2.3253 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: 2204000 769.3180 2072.8738 1968.7563 118.0907 -206633.4370 17952.4218 0.0000 0.0000 34035.3686 -149716.6078 297.2393 -183751.9763 -149620.7700 297.2429 -65.3208 -29.2495 557340.7826 11.9047 11.9702 PRESSURE: 2204200 75.7129 62.1688 134.192 62.1676 136.315 111.349 134.192 111.35 98.6814 GPRESSURE: 2204200 108.375 59.9261 118.399 13.5664 198.08 174.828 140.225 48.3226 96.6849 PRESSAVG: 2204200 27.3751 40.9828 -21.158 40.9829 -32.5667 8.50822 -21.158 8.50826 15.1827 GPRESSAVG: 2204200 27.8494 40.8667 -21.6432 40.6335 -33.1111 8.92977 -20.7949 7.55442 15.3126 TIMING: 2204200 CPU: 6562.33, 0.00300744/step Wall: 6562.33, 0.00300744/step, 2.33561 hours remaining, 206.199219 MB of memory in use. ENERGY: 2204200 738.9228 2026.1817 1963.8518 123.3923 -206319.7965 17986.8300 0.0000 0.0000 34133.2624 -149347.3554 298.0943 -183480.6178 -149251.9271 297.9711 103.5696 134.3798 556910.2087 3.3304 3.3503 LDB: ============= START OF LOAD BALANCING ============== 6565.77 LDB: ============== END OF LOAD BALANCING =============== 6565.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6565.77 LDB: ============= START OF LOAD BALANCING ============== 6566.07 LDB: Largest compute 4849 load 0.025425 is 21.5% of average load 0.118074 LDB: Average compute 0.001726 is 1.5% of average load 0.118074 LDB: TIME 6566.07 LOAD: AVG 0.118074 MAX 0.20407 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.742 MB LDB: TIME 6566.07 LOAD: AVG 0.118074 MAX 0.20407 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.742 MB LDB: TIME 6566.07 LOAD: AVG 0.118074 MAX 0.20407 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.742 MB LDB: ============== END OF LOAD BALANCING =============== 6566.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6566.08 PRESSURE: 2204400 -107.072 -98.3224 84.9483 -98.3232 69.3416 94.605 84.9484 94.6051 -289.501 GPRESSURE: 2204400 -60.4446 -70.772 194.482 -99.7282 31.0052 56.9983 8.32685 92.8481 -206.417 PRESSAVG: 2204400 60.6701 1.3424 -14.5171 1.34243 -17.2774 -6.20715 -14.517 -6.20717 -80.2807 GPRESSAVG: 2204400 61.894 0.139256 -13.5505 4.31029 -18.2404 -6.92417 -14.3642 -4.77566 -80.8635 TIMING: 2204400 CPU: 6562.95, 0.00307494/step Wall: 6562.95, 0.00307494/step, 2.38787 hours remaining, 205.730469 MB of memory in use. ENERGY: 2204400 706.3256 2112.4286 1964.8031 122.7953 -206135.1844 17536.0692 0.0000 0.0000 34534.7064 -149158.0562 301.6002 -183692.7626 -149052.7668 298.9222 -109.0770 -78.6188 558631.7406 -12.2960 -12.4033 PRESSURE: 2204600 16.7737 15.7508 -126.968 15.7513 -238.977 -112.979 -126.968 -112.978 -115.287 GPRESSURE: 2204600 60.4946 4.21794 -184.284 -66.6854 -191.07 -122.599 -107.204 -168.526 -93.3543 PRESSAVG: 2204600 83.2602 9.33165 24.6445 9.33162 9.92775 6.49655 24.6445 6.49654 -65.1971 GPRESSAVG: 2204600 82.5027 10.3255 25.0386 5.83437 9.47192 8.52229 25.0744 4.4767 -64.2402 TIMING: 2204600 CPU: 6563.55, 0.00301654/step Wall: 6563.55, 0.00301654/step, 2.34234 hours remaining, 205.730469 MB of memory in use. ENERGY: 2204600 717.2496 2083.8364 1966.2038 116.9011 -205942.1881 17665.9085 0.0000 0.0000 34234.9765 -149157.1122 298.9826 -183392.0888 -149059.4683 298.9586 -112.4967 -74.6431 557147.1704 9.3303 9.2448 PRESSURE: 2204800 77.6739 54.2252 -43.1863 54.2246 -284.231 -174.656 -43.1875 -174.656 -73.2817 GPRESSURE: 2204800 114.401 72.6425 -20.4958 36.1282 -227.429 -140.547 -77.7548 -110.247 -70.421 PRESSAVG: 2204800 16.3508 -17.486 -30.7093 -17.486 11.6194 7.5013 -30.7093 7.50135 -45.1251 GPRESSAVG: 2204800 17.4493 -16.3106 -30.7001 -16.9941 12.2959 6.24534 -31.3156 8.5083 -46.5635 TIMING: 2204800 CPU: 6564.16, 0.0030163/step Wall: 6564.16, 0.0030163/step, 2.34199 hours remaining, 205.730469 MB of memory in use. ENERGY: 2204800 740.2327 2125.2465 1934.0251 111.1612 -205831.2529 17633.8461 0.0000 0.0000 34284.5405 -149002.2009 299.4154 -183286.7413 -148897.5418 299.7617 -93.2796 -61.1497 558302.8913 -5.7183 -5.6061 PRESSURE: 2205000 71.7742 -41.4243 60.9206 -41.4237 -43.2009 -68.2194 60.9208 -68.2174 -115.411 GPRESSURE: 2205000 149.156 -110.102 105.592 -57.9108 -8.21075 -116.439 32.7279 29.7389 -131.365 PRESSAVG: 2205000 19.4207 8.45434 0.849296 8.45428 -43.6353 20.1945 0.849263 20.1946 10.71 GPRESSAVG: 2205000 17.8309 7.02013 1.92412 10.0038 -43.3883 20.1608 0.116201 18.597 12.0695 TIMING: 2205000 CPU: 6564.76, 0.00300712/step Wall: 6564.76, 0.00300712/step, 2.33469 hours remaining, 205.730469 MB of memory in use. ENERGY: 2205000 758.8599 2137.6613 1954.0220 101.8058 -206436.3303 17891.7433 0.0000 0.0000 34466.1231 -149126.1150 301.0012 -183592.2381 -149033.0428 300.0358 -28.9459 3.1935 556992.7375 -4.5015 -4.4960 PRESSURE: 2205200 294.411 30.9684 -17.3648 30.9691 -77.5712 -64.7505 -17.3648 -64.7493 -180.393 GPRESSURE: 2205200 373.476 97.2948 27.0546 14.9984 -71.5719 7.6228 -110.574 -68.3429 -175.141 PRESSAVG: 2205200 104.85 -15.0933 10.9086 -15.0932 -16.3004 7.5132 10.9085 7.5133 -51.3372 GPRESSAVG: 2205200 107.415 -17.3055 10.3937 -15.4763 -17.4015 9.10104 11.2139 7.64867 -52.6836 TIMING: 2205200 CPU: 6565.36, 0.003034/step Wall: 6565.36, 0.003034/step, 2.3554 hours remaining, 205.730469 MB of memory in use. ENERGY: 2205200 708.2871 2078.8005 1966.5003 127.1857 -205655.0019 17515.3462 0.0000 0.0000 34159.2994 -149099.5826 298.3217 -183258.8821 -148998.6516 299.4698 12.1488 42.2542 556344.2598 12.4042 12.4434 PRESSURE: 2205400 -196.66 -47.5594 -57.2213 -47.5585 29.9534 88.5513 -57.2211 88.5517 -69.5498 GPRESSURE: 2205400 -166.005 -72.2148 -98.559 -126.037 43.2739 119.512 -71.0125 135.27 -0.0848724 PRESSAVG: 2205400 30.8874 -66.5196 -60.7312 -66.5195 -37.1321 2.99947 -60.7313 2.99957 -25.7422 GPRESSAVG: 2205400 29.0757 -64.3291 -60.4538 -66.1209 -36.7522 0.175029 -61.3717 5.79557 -24.0666 TIMING: 2205400 CPU: 6565.97, 0.00301697/step Wall: 6565.97, 0.00301697/step, 2.34201 hours remaining, 205.730469 MB of memory in use. ENERGY: 2205400 743.5007 2098.4516 1938.5395 128.2062 -206046.9920 17721.8994 0.0000 0.0000 34355.3328 -149061.0619 300.0337 -183416.3946 -148971.2361 299.2444 -78.7521 -40.9388 557332.5362 -10.6623 -10.5810 PRESSURE: 2205600 -16.5768 -154.529 -10.2081 -154.529 -110.958 6.17615 -10.2069 6.17716 137.392 GPRESSURE: 2205600 -25.3907 -108.837 38.8789 -134.974 -91.0274 1.03699 -30.6725 -13.9273 228.157 PRESSAVG: 2205600 48.0146 -55.1069 30.549 -55.1068 33.0606 35.682 30.5491 35.682 -30.6016 GPRESSAVG: 2205600 48.2004 -54.1846 30.6284 -55.8353 33.5182 36.4071 30.7925 34.625 -32.0055 TIMING: 2205600 CPU: 6566.57, 0.00301816/step Wall: 6566.57, 0.00301816/step, 2.34276 hours remaining, 205.730469 MB of memory in use. ENERGY: 2205600 731.8131 2054.0664 1930.5558 107.1543 -206052.6488 17880.1573 0.0000 0.0000 34377.8388 -148971.0631 300.2302 -183348.9019 -148866.7500 299.8015 3.2857 37.2463 557916.9996 16.8245 16.5711 PRESSURE: 2205800 -198.064 0.14667 -12.8363 0.146789 -259.688 -70.4153 -12.8365 -70.4146 -217.463 GPRESSURE: 2205800 -110.115 -34.9198 -1.01393 -23.9663 -231.428 -82.9275 5.77116 -51.1349 -238.606 PRESSAVG: 2205800 37.1653 18.5999 -17.7474 18.5999 -37.5297 -20.9319 -17.7474 -20.9319 16.4347 GPRESSAVG: 2205800 36.9941 18.2649 -18.2296 18.7165 -38.2113 -21.0355 -16.4897 -22.6955 16.7588 TIMING: 2205800 CPU: 6567.17, 0.00301671/step Wall: 6567.17, 0.00301671/step, 2.34147 hours remaining, 205.730469 MB of memory in use. ENERGY: 2205800 744.4549 2093.2760 1957.8725 114.4246 -206084.4416 17674.4628 0.0000 0.0000 34477.9917 -149021.9592 301.1049 -183499.9509 -148919.6151 299.9789 -225.0718 -193.3832 558561.0619 5.3568 5.1805 PRESSURE: 2206000 93.6818 5.35007 166.988 5.34961 -13.9615 -158.922 166.987 -158.921 -120.088 GPRESSURE: 2206000 138.407 32.9996 110.527 -28.576 46.0358 -89.3309 264.384 -109.478 -113.67 PRESSAVG: 2206000 -46.9463 75.1467 34.3681 75.1467 77.3085 -23.0058 34.3681 -23.0058 -22.6997 GPRESSAVG: 2206000 -45.9755 74.9602 31.8314 74.4615 76.9817 -22.8992 35.2225 -20.896 -23.5799 TIMING: 2206000 CPU: 6567.78, 0.00301274/step Wall: 6567.78, 0.00301274/step, 2.33822 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: 2206000 733.0466 2076.3380 1963.4928 111.3588 -206035.1506 17777.3181 0.0000 0.0000 34250.5755 -149123.0208 299.1188 -183373.5963 -149025.2179 300.0507 -13.4560 23.5910 557109.7775 2.5542 2.4754 PRESSURE: 2206200 -91.6802 34.584 -4.50018 34.5841 108.606 -158.204 -4.49929 -158.204 112.568 GPRESSURE: 2206200 -41.5336 53.674 -2.94101 89.9335 122.141 -93.9149 5.13606 -154.557 140.768 PRESSAVG: 2206200 -39.8624 -6.59864 23.3382 -6.59865 -13.6587 -25.7298 23.3383 -25.7299 89.7759 GPRESSAVG: 2206200 -40.1183 -6.51712 26.4257 -6.10431 -13.1984 -25.9652 22.3704 -25.0363 89.9267 TIMING: 2206200 CPU: 6568.38, 0.00300074/step Wall: 6568.38, 0.00300074/step, 2.32874 hours remaining, 205.730469 MB of memory in use. ENERGY: 2206200 699.3364 2109.3504 1955.5340 104.5071 -206081.4204 17824.8463 0.0000 0.0000 34383.9089 -149003.9374 300.2832 -183387.8463 -148911.2003 299.2244 43.1646 73.7916 558396.7038 12.0849 12.2033 PRESSURE: 2206400 -26.2525 -144.849 -15.4564 -144.849 -138.384 75.1569 -15.4561 75.1568 149.192 GPRESSURE: 2206400 -85.4788 -93.8838 -9.62594 -211.659 -60.4138 79.3546 -23.9258 134.483 233.251 PRESSAVG: 2206400 -12.2198 -35.947 -26.4275 -35.947 31.5706 14.2341 -26.4276 14.2342 -74.7195 GPRESSAVG: 2206400 -12.4437 -36.4609 -26.3403 -35.5987 30.5941 13.7183 -27.3848 13.2315 -72.9984 TIMING: 2206400 CPU: 6568.98, 0.0030041/step Wall: 6568.98, 0.0030041/step, 2.33118 hours remaining, 205.730469 MB of memory in use. ENERGY: 2206400 733.9194 2099.5399 1942.4344 105.3348 -205961.6983 17902.2947 0.0000 0.0000 34269.1220 -148909.0532 299.2808 -183178.1751 -148812.0054 299.8734 -5.1481 29.1194 558943.2066 -18.4562 -18.2826 PRESSURE: 2206600 -9.54927 -66.6295 86.3593 -66.63 112.813 -129.549 86.3598 -129.55 -154.804 GPRESSURE: 2206600 82.1834 -58.005 101.244 -128.623 88.7834 -124.888 26.078 -179.343 -133.697 PRESSAVG: 2206600 -11.7913 3.5189 10.3352 3.51893 29.9407 21.5786 10.3353 21.5784 -3.63726 GPRESSAVG: 2206600 -11.854 3.90555 9.17793 3.29634 31.6766 21.6138 10.4366 20.7559 -6.20643 TIMING: 2206600 CPU: 6569.58, 0.00301119/step Wall: 6569.58, 0.00301119/step, 2.33652 hours remaining, 205.730469 MB of memory in use. ENERGY: 2206600 788.7451 2108.5786 1937.7844 119.3315 -205954.7002 17842.9355 0.0000 0.0000 34288.6129 -148868.7122 299.4510 -183157.3252 -148776.7486 300.1505 -17.1802 12.4234 558366.1885 4.8374 4.5387 PRESSURE: 2206800 -264.883 -136.89 -148.814 -136.891 -145.621 -79.227 -148.816 -79.2267 -357.478 GPRESSURE: 2206800 -216.669 -207.028 -174.955 -41.3762 -158.425 -25.2151 -102.984 -150.582 -294.755 PRESSAVG: 2206800 3.52962 -19.0407 -32.9077 -19.0409 51.5983 -18.9398 -32.9077 -18.9398 -57.2965 GPRESSAVG: 2206800 3.63801 -18.5702 -34.1648 -17.0004 50.8936 -16.5705 -29.8493 -20.3828 -57.0359 TIMING: 2206800 CPU: 6570.17, 0.00295824/step Wall: 6570.17, 0.00295824/step, 2.29526 hours remaining, 205.730469 MB of memory in use. ENERGY: 2206800 776.5468 2087.1105 1959.9545 113.2138 -205651.1326 17525.9998 0.0000 0.0000 34311.9196 -148876.3875 299.6545 -183188.3071 -148776.6602 300.4418 -255.9938 -223.2832 558605.1756 -0.7228 -0.8348 PRESSURE: 2207000 435.778 -68.516 -67.689 -68.5166 -26.0789 -8.71373 -67.6898 -8.71297 -175.541 GPRESSURE: 2207000 455.713 -70.7139 -71.0478 -13.0726 -13.7797 -88.7347 -76.4043 5.70383 -114.564 PRESSAVG: 2207000 89.8837 -12.014 -10.181 -12.014 1.77051 4.38724 -10.1811 4.38719 -45.753 GPRESSAVG: 2207000 90.2598 -10.8089 -7.57045 -16.5198 1.66816 2.85279 -13.6319 6.15389 -45.6948 TIMING: 2207000 CPU: 6570.77, 0.00296738/step Wall: 6570.77, 0.00296738/step, 2.30219 hours remaining, 205.730469 MB of memory in use. ENERGY: 2207000 777.8728 2129.6540 1941.7290 118.5067 -206190.9400 17979.9712 0.0000 0.0000 34294.5738 -148948.6323 299.5030 -183243.2062 -148844.0249 300.6537 78.0526 109.1231 556258.4059 15.3004 15.4111 PRESSURE: 2207200 241.785 -55.7603 56.6947 -55.7594 -77.6461 -44.6539 56.6958 -44.6545 -80.5336 GPRESSURE: 2207200 273.724 -107.103 40.1516 -105.733 -56.0188 65.1888 27.0297 -136.591 -35.687 PRESSAVG: 2207200 96.9182 -45.2301 2.5981 -45.2302 -62.1718 15.25 2.5981 15.2499 -44.754 GPRESSAVG: 2207200 96.8792 -47.3798 2.28634 -42.7498 -62.3584 16.5413 3.29581 15.9002 -44.9374 TIMING: 2207200 CPU: 6571.36, 0.00296329/step Wall: 6571.36, 0.00296329/step, 2.29885 hours remaining, 205.730469 MB of memory in use. ENERGY: 2207200 768.1101 2133.3018 1958.2674 105.7865 -206188.1276 17926.8346 0.0000 0.0000 34265.6413 -149030.1859 299.2504 -183295.8272 -148938.5995 299.7674 27.8683 60.6728 557990.0407 -3.3359 -3.4722 PRESSURE: 2207400 -102.305 -128.656 43.6545 -128.656 -77.327 81.3846 43.6546 81.3831 38.1991 GPRESSURE: 2207400 -58.4298 -31.296 53.0407 -215.459 -23.7576 165.362 -2.01457 54.4675 44.7838 PRESSAVG: 2207400 -14.9975 -26.3796 5.64163 -26.3797 -7.85286 8.78146 5.64168 8.78146 -28.2301 GPRESSAVG: 2207400 -13.6801 -22.7119 4.93438 -28.0109 -8.9835 9.53337 5.17048 6.38248 -27.9696 TIMING: 2207400 CPU: 6571.96, 0.00299163/step Wall: 6571.96, 0.00299163/step, 2.32068 hours remaining, 205.730469 MB of memory in use. ENERGY: 2207400 758.4308 2048.0536 1964.8814 107.5657 -205743.9711 17624.6013 0.0000 0.0000 34152.5743 -149087.8639 298.2629 -183240.4382 -148996.6845 299.6685 -47.1443 -12.4678 558170.8565 -17.0268 -16.8778 PRESSURE: 2207600 -288.58 -72.8391 -62.8272 -72.8395 -99.4973 125.456 -62.8281 125.458 -107.99 GPRESSURE: 2207600 -299.22 -109.569 -110.943 -31.8436 -31.316 232.119 -77.26 84.557 -62.3512 PRESSAVG: 2207600 16.9189 46.3283 9.31811 46.3283 -5.86905 27.7472 9.31826 27.7472 16.0018 GPRESSAVG: 2207600 15.2355 43.1318 8.18032 48.4116 -3.33083 28.2372 10.4032 29.3775 14.9809 TIMING: 2207600 CPU: 6572.56, 0.00299503/step Wall: 6572.56, 0.00299503/step, 2.32315 hours remaining, 205.730469 MB of memory in use. ENERGY: 2207600 757.0043 2132.1627 1958.4346 113.7878 -205630.4908 17497.7428 0.0000 0.0000 34232.8198 -148938.5390 298.9637 -183171.3588 -148845.4038 300.0498 -165.3558 -130.9623 558273.8168 9.0172 8.9619 PRESSURE: 2207800 258.556 -9.24028 62.4493 -9.24052 280.582 -5.46891 62.449 -5.46908 128.958 GPRESSURE: 2207800 249.857 -76.3434 68.349 119.778 298.949 61.7321 62.3787 -77.2591 208.482 PRESSAVG: 2207800 65.2272 17.2797 -34.966 17.2797 -52.2367 15.7178 -34.966 15.7179 -26.8998 GPRESSAVG: 2207800 65.9768 16.4559 -31.8996 16.6055 -52.9203 14.3937 -35.3571 14.6264 -26.7214 TIMING: 2207800 CPU: 6573.15, 0.00297548/step Wall: 6573.15, 0.00297548/step, 2.30781 hours remaining, 205.730469 MB of memory in use. ENERGY: 2207800 749.0217 2125.2857 1928.9543 113.7969 -206018.0220 17975.9928 0.0000 0.0000 34154.7475 -148970.2231 298.2819 -183124.9706 -148875.3154 300.0358 222.6986 252.4295 557575.4590 -4.6365 -4.5550 PRESSURE: 2208000 -203.799 133.65 -54.2351 133.65 -297.631 -150.072 -54.2368 -150.071 -54.6396 GPRESSURE: 2208000 -194.287 -67.2491 6.08225 221.542 -219.299 -167.007 -65.7094 -226.922 -50.8792 PRESSAVG: 2208000 42.203 -39.0649 -19.2711 -39.0649 -10.2633 -1.11846 -19.2711 -1.11839 -14.3933 GPRESSAVG: 2208000 42.2048 -38.5551 -21.0513 -40.0503 -10.4476 -1.42331 -20.9918 1.46786 -14.0907 TIMING: 2208000 CPU: 6573.75, 0.00299166/step Wall: 6573.75, 0.00299166/step, 2.3202 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: 2208000 758.2006 2151.3043 1943.9762 113.6131 -205473.5576 17493.7654 0.0000 0.0000 34119.8574 -148892.8408 297.9772 -183012.6982 -148791.3299 299.6537 -185.3563 -154.8218 559491.5716 5.8488 5.8888 PRESSURE: 2208200 -56.6895 236.001 -296.066 236 3.51524 -1.04657 -296.067 -1.04572 85.8745 GPRESSURE: 2208200 12.4024 191.522 -246.462 227.808 29.9832 3.13337 -332.355 -61.4677 92.1461 PRESSAVG: 2208200 -8.40963 23.7602 -46.227 23.7602 17.286 -74.7278 -46.227 -74.7278 4.69419 GPRESSAVG: 2208200 -9.03224 25.5699 -44.9521 23.5092 17.3951 -75.376 -45.9889 -76.3761 5.36002 TIMING: 2208200 CPU: 6574.35, 0.00299155/step Wall: 6574.35, 0.00299155/step, 2.31994 hours remaining, 205.730469 MB of memory in use. ENERGY: 2208200 749.5771 2090.9524 1943.9077 105.9215 -205827.8114 17730.3309 0.0000 0.0000 34220.1827 -148986.9391 298.8534 -183207.1218 -148889.6983 299.7580 10.9001 44.8439 558050.1108 4.5235 4.5743 LDB: ============= START OF LOAD BALANCING ============== 6577.78 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6577.78 LDB: =============== DONE WITH MIGRATION ================ 6577.78 LDB: ============= START OF LOAD BALANCING ============== 6578.08 LDB: Largest compute 4847 load 0.024306 is 20.6% of average load 0.118073 LDB: Average compute 0.001717 is 1.5% of average load 0.118073 LDB: TIME 6578.08 LOAD: AVG 0.118073 MAX 0.204412 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.758 MB LDB: TIME 6578.08 LOAD: AVG 0.118073 MAX 0.204412 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.758 MB LDB: TIME 6578.08 LOAD: AVG 0.118073 MAX 0.204412 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6578.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6578.09 PRESSURE: 2208400 -155.686 -155.57 -0.647305 -155.569 53.0857 -30.1637 -0.647085 -30.163 140.328 GPRESSURE: 2208400 -87.4601 -34.3108 -67.7254 -142.047 133.774 -25.5902 4.16974 7.24137 115.353 PRESSAVG: 2208400 -22.2841 -20.6091 -71.3428 -20.6092 29.4583 6.36763 -71.3429 6.36766 -26.0911 GPRESSAVG: 2208400 -21.8937 -20.6014 -73.4801 -20.9908 28.7359 5.81982 -70.2663 6.33011 -25.9616 TIMING: 2208400 CPU: 6574.96, 0.00305642/step Wall: 6574.96, 0.00305642/step, 2.37009 hours remaining, 206.003906 MB of memory in use. ENERGY: 2208400 756.3610 2065.1508 1921.6097 124.4462 -206108.0689 17867.3248 0.0000 0.0000 34162.4524 -149210.7240 298.3492 -183373.1764 -149107.7897 299.6464 12.5758 53.8890 556610.3355 -6.3056 -6.3731 PRESSURE: 2208600 58.8611 -71.5832 77.6862 -71.5823 -70.1293 28.4182 77.6862 28.4171 -196.325 GPRESSURE: 2208600 50.7926 -108.456 -36.8033 -33.0009 -54.622 131.35 140.581 44.7484 -110.989 PRESSAVG: 2208600 13.3993 16.5198 33.3275 16.5198 63.9002 -7.01663 33.3275 -7.01659 -94.8909 GPRESSAVG: 2208600 14.0809 15.7676 34.5529 14.7537 63.0989 -5.64341 32.5399 -8.6652 -94.5484 TIMING: 2208600 CPU: 6575.56, 0.00298891/step Wall: 6575.56, 0.00298891/step, 2.31757 hours remaining, 206.003906 MB of memory in use. ENERGY: 2208600 757.6868 2118.3531 1928.9198 110.1698 -206234.1334 17758.2447 0.0000 0.0000 34230.5429 -149330.2164 298.9438 -183560.7593 -149223.2574 299.2560 -69.1978 -38.2728 557178.1195 -5.8638 -5.7895 PRESSURE: 2208800 117.031 -17.0087 -7.19744 -17.0095 -249.274 -35.5904 -7.19735 -35.5916 -214.624 GPRESSURE: 2208800 113.999 32.0539 -7.67223 -38.8052 -205.461 -14.7737 2.01397 -46.9545 -174.129 PRESSAVG: 2208800 49.2591 -38.0429 16.1724 -38.0429 -24.6948 21.2023 16.1723 21.2022 19.3776 GPRESSAVG: 2208800 48.1775 -40.3372 15.6968 -35.3942 -23.2863 20.263 16.0344 23.4318 19.6852 TIMING: 2208800 CPU: 6576.15, 0.00297847/step Wall: 6576.15, 0.00297847/step, 2.30931 hours remaining, 206.003906 MB of memory in use. ENERGY: 2208800 727.8076 2106.1516 1926.4850 111.5568 -205829.2115 17474.2489 0.0000 0.0000 34263.3353 -149219.6262 299.2302 -183482.9615 -149123.5125 298.7932 -115.6222 -88.5302 558432.9965 14.6473 14.8588 PRESSURE: 2209000 -220.075 -73.2043 -80.532 -73.2049 -17.8999 35.5432 -80.5319 35.5425 -130.423 GPRESSURE: 2209000 -179.856 -73.8094 -77.8565 23.098 24.1386 45.3545 -45.7029 66.8743 -106.059 PRESSAVG: 2209000 50.919 23.5134 13.1424 23.5135 -28.5574 -48.0187 13.1424 -48.0187 -9.53774 GPRESSAVG: 2209000 52.54 23.6146 13.0625 23.1771 -28.292 -49.0112 12.2659 -48.0044 -11.2457 TIMING: 2209000 CPU: 6576.75, 0.00300018/step Wall: 6576.75, 0.00300018/step, 2.32598 hours remaining, 206.003906 MB of memory in use. ENERGY: 2209000 743.8587 2085.2611 1942.0555 105.2453 -205877.7169 17532.0490 0.0000 0.0000 34286.6230 -149182.6243 299.4336 -183469.2473 -149086.5235 298.8345 -122.7993 -87.2589 556272.5500 4.2746 4.3341 PRESSURE: 2209200 -201.636 -65.4808 -50.019 -65.4802 3.85621 55.3588 -50.0184 55.3587 -41.6558 GPRESSURE: 2209200 -135.717 -137.157 -44.2741 -82.3278 -12.0571 169.824 -60.4596 11.3548 5.64578 PRESSAVG: 2209200 -34.5222 28.6197 -18.6334 28.6197 -67.6959 -1.74488 -18.6333 -1.74477 113.156 GPRESSAVG: 2209200 -35.3077 28.3693 -18.901 30.1703 -67.6942 -2.18843 -17.2589 -1.57735 113.409 TIMING: 2209200 CPU: 6577.35, 0.0030003/step Wall: 6577.35, 0.0030003/step, 2.3259 hours remaining, 206.003906 MB of memory in use. ENERGY: 2209200 722.8949 2130.3453 1938.1371 116.3623 -205616.7375 17549.4619 0.0000 0.0000 34105.6664 -149053.8697 297.8533 -183159.5360 -148955.9082 298.9891 -79.8120 -47.3761 557566.3033 3.6460 3.4690 PRESSURE: 2209400 196.723 -70.6085 -9.52124 -70.6094 207.374 -27.6576 -9.52219 -27.6566 -157.897 GPRESSURE: 2209400 231.81 -137.048 -24.1872 -72.057 277.355 -58.1785 80.9531 -18.2697 -158.392 PRESSAVG: 2209400 -13.232 35.8817 -12.7043 35.8817 -31.3064 10.5833 -12.7042 10.5833 35.5582 GPRESSAVG: 2209400 -14.4122 39.1381 -11.1518 34.6262 -30.7856 12.312 -14.2409 7.77907 36.7506 TIMING: 2209400 CPU: 6577.95, 0.00299159/step Wall: 6577.95, 0.00299159/step, 2.31898 hours remaining, 206.003906 MB of memory in use. ENERGY: 2209400 748.7277 2091.0911 1964.9213 106.9494 -206487.4442 18015.2532 0.0000 0.0000 34336.6968 -149223.8046 299.8709 -183560.5015 -149118.3321 299.2760 82.0670 116.9245 558708.8579 -2.9934 -2.8158 PRESSURE: 2209600 -51.3863 93.5309 -145.763 93.5307 -198.98 92.1712 -145.763 92.1706 -148.828 GPRESSURE: 2209600 -58.089 97.0642 -181.197 36.9644 -168.852 3.68005 -130.528 59.7792 -75.737 PRESSAVG: 2209600 -43.867 10.1305 27.0124 10.1306 41.7923 1.12016 27.0123 1.12023 8.49363 GPRESSAVG: 2209600 -42.9005 8.56119 24.4491 9.8395 42.0838 -0.389609 30.1843 1.65343 6.92731 TIMING: 2209600 CPU: 6578.55, 0.00300603/step Wall: 6578.55, 0.00300603/step, 2.33001 hours remaining, 206.003906 MB of memory in use. ENERGY: 2209600 754.6976 2096.7108 1970.9533 127.4459 -206042.5483 17696.8336 0.0000 0.0000 34093.3359 -149302.5713 297.7456 -183395.9072 -149209.9537 298.7037 -133.0649 -100.8925 558852.7288 2.1396 2.0369 PRESSURE: 2209800 116.179 -163.874 120.031 -163.873 -41.9879 -134.3 120.032 -134.299 386.057 GPRESSURE: 2209800 206.334 -81.4326 163.552 -191.197 0.783771 -122.941 58.4147 -138.363 343.032 PRESSAVG: 2209800 20.6988 -20.5239 31.9708 -20.5239 -65.8082 22.9843 31.9708 22.9842 32.7528 GPRESSAVG: 2209800 21.0436 -19.8699 34.493 -20.2046 -65.8476 24.0377 29.3724 22.292 33.107 TIMING: 2209800 CPU: 6579.15, 0.00299388/step Wall: 6579.15, 0.00299388/step, 2.32042 hours remaining, 206.003906 MB of memory in use. ENERGY: 2209800 710.9458 2056.7807 1968.8201 118.2122 -206277.0571 17904.4240 0.0000 0.0000 34095.0595 -149422.8148 297.7606 -183517.8743 -149324.2613 298.7660 153.4160 183.3831 556726.2427 -4.1189 -3.8990 PRESSURE: 2210000 71.8019 -4.76606 73.6567 -4.76536 139.696 38.7768 73.6563 38.7769 159.353 GPRESSURE: 2210000 21.457 42.0509 40.0341 -96.4887 236.681 43.1456 101.874 12.2031 195.199 PRESSAVG: 2210000 31.6451 -33.6354 8.16039 -33.6355 -134.598 10.0367 8.16039 10.0368 97.3358 GPRESSAVG: 2210000 31.6798 -34.2023 6.1395 -33.0918 -135.182 8.62859 9.34066 10.8586 97.4617 TIMING: 2210000 CPU: 6579.75, 0.00299354/step Wall: 6579.75, 0.00299354/step, 2.31999 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: 2210000 782.5568 2143.4730 1928.0338 107.2490 -206649.3867 18025.9391 0.0000 0.0000 34253.0459 -149409.0890 299.1404 -183662.1349 -149319.1318 298.4547 123.6171 151.1122 557052.7181 -1.8724 -2.0135 PRESSURE: 2210200 173.286 89.4868 -129.36 89.4871 -204.274 24.8223 -129.361 24.8219 30.0629 GPRESSURE: 2210200 164.133 116.693 -282.771 60.0703 -121.615 37.5291 -22.7127 -35.0098 57.6101 PRESSAVG: 2210200 -85.508 68.3209 21.8146 68.321 -4.11933 48.6321 21.8147 48.6321 95.8143 GPRESSAVG: 2210200 -86.6165 68.3198 22.844 67.5592 -3.83478 49.9475 22.527 47.9686 96.5847 TIMING: 2210200 CPU: 6580.35, 0.00301388/step Wall: 6580.35, 0.00301388/step, 2.33559 hours remaining, 206.003906 MB of memory in use. ENERGY: 2210200 726.4330 2088.8385 1983.4741 122.2156 -206541.3532 18043.4698 0.0000 0.0000 34239.7230 -149337.1992 299.0240 -183576.9223 -149248.5304 299.3662 -0.3083 33.3761 557575.9733 2.0623 2.0445 PRESSURE: 2210400 214.902 -84.4904 -39.751 -84.491 279.477 -9.74257 -39.7523 -9.7433 -54.0661 GPRESSURE: 2210400 298.137 14.8438 -50.74 -63.4086 304.262 -51.2176 12.3539 -28.8272 -56.6308 PRESSAVG: 2210400 23.5573 11.3234 -10.9425 11.3234 9.005 27.0084 -10.9425 27.0084 19.1464 GPRESSAVG: 2210400 24.4976 9.92025 -9.4918 11.8475 8.49699 26.1882 -13.4943 26.2857 19.382 TIMING: 2210400 CPU: 6580.96, 0.00301831/step Wall: 6580.96, 0.00301831/step, 2.33885 hours remaining, 206.003906 MB of memory in use. ENERGY: 2210400 725.9057 2124.5662 1948.0676 129.0974 -206786.0550 18010.2354 0.0000 0.0000 34352.7037 -149495.4789 300.0107 -183848.1826 -149399.8732 298.5920 146.7710 181.9226 556120.7312 17.2363 17.4588 PRESSURE: 2210600 230.56 125.282 131.485 125.283 -306.241 80.4936 131.484 80.4965 -153.842 GPRESSURE: 2210600 275.766 100.535 134.361 169.246 -324.41 122.499 163.485 88.5227 -81.4419 PRESSAVG: 2210600 23.0204 11.5475 43.4444 11.5476 -5.43309 -7.074 43.4444 -7.07399 -7.60644 GPRESSAVG: 2210600 23.1656 11.2181 42.5826 12.0876 -4.35203 -6.95646 44.168 -5.95392 -9.24124 TIMING: 2210600 CPU: 6581.55, 0.00299251/step Wall: 6581.55, 0.00299251/step, 2.31869 hours remaining, 206.003906 MB of memory in use. ENERGY: 2210600 779.1272 2077.3302 1942.0628 110.2061 -206143.8837 17699.9017 0.0000 0.0000 34270.3663 -149264.8894 299.2916 -183535.2557 -149171.9768 299.2974 -76.5079 -43.3620 557285.0557 3.3270 3.1908 PRESSURE: 2210800 31.95 66.2888 133.798 66.2879 -124.657 -55.862 133.798 -55.8616 -52.7121 GPRESSURE: 2210800 52.4567 75.719 142.533 -3.19428 -69.0241 -63.4572 154.51 -132.032 -13.9621 PRESSAVG: 2210800 76.2818 31.3142 35.7641 31.3142 -11.3516 0.550955 35.764 0.551005 -52.9795 GPRESSAVG: 2210800 76.1942 32.9475 36.4949 31.2198 -11.2771 1.11986 35.998 -1.60442 -53.1904 TIMING: 2210800 CPU: 6582.15, 0.00297132/step Wall: 6582.15, 0.00297132/step, 2.30211 hours remaining, 206.003906 MB of memory in use. ENERGY: 2210800 752.7592 2090.1654 1973.4003 108.6602 -206061.4345 17700.5936 0.0000 0.0000 34335.2038 -149100.6519 299.8579 -183435.8557 -149008.2773 299.5729 -48.4730 -10.1765 557120.0251 3.9836 3.9089 PRESSURE: 2211000 -75.9 -39.4104 63.9819 -39.4096 -197.597 6.15791 63.983 6.15862 -50.5842 GPRESSURE: 2211000 9.02818 -115.196 90.2935 108.742 -173.319 -28.4788 7.24113 -31.5539 -71.6946 PRESSAVG: 2211000 -22.7786 26.4933 -10.8037 26.4933 12.9945 -26.9925 -10.8037 -26.9925 43.2373 GPRESSAVG: 2211000 -22.8983 25.1876 -13.0094 26.6782 12.2845 -27.8983 -8.3938 -25.0966 43.4197 TIMING: 2211000 CPU: 6582.75, 0.0029882/step Wall: 6582.75, 0.0029882/step, 2.31503 hours remaining, 206.003906 MB of memory in use. ENERGY: 2211000 749.4707 2065.9737 1968.8007 103.5121 -206072.0703 17640.6148 0.0000 0.0000 34390.6476 -149153.0508 300.3421 -183543.6984 -149053.7986 299.8092 -108.0269 -78.6617 556644.4184 11.1511 10.9353 PRESSURE: 2211200 37.2113 112.96 80.5929 112.959 233.437 -20.6246 80.5925 -20.6249 189.882 GPRESSURE: 2211200 168.127 81.0177 123.94 48.6418 281.746 81.3652 52.6556 -94.1911 109.134 PRESSAVG: 2211200 0.939279 -9.24095 -15.1798 -9.24102 11.1951 10.9528 -15.1799 10.9526 6.14805 GPRESSAVG: 2211200 1.40539 -6.80784 -13.7984 -11.3202 10.5906 11.3623 -17.7157 11.9595 5.94041 TIMING: 2211200 CPU: 6583.34, 0.00298764/step Wall: 6583.34, 0.00298764/step, 2.31443 hours remaining, 206.003906 MB of memory in use. ENERGY: 2211200 722.5739 2120.2282 1905.1203 111.7062 -206081.6070 17936.2106 0.0000 0.0000 34098.0371 -149187.7308 297.7866 -183285.7679 -149084.0669 299.1761 153.5102 186.3358 557277.6932 6.0941 5.9788 PRESSURE: 2211400 -240.647 49.0473 -149.152 49.0468 -111.391 114.954 -149.151 114.953 -32.1326 GPRESSURE: 2211400 -177.829 87.1537 -109.545 61.906 -141.404 148.766 -212.048 129.431 26.0108 PRESSAVG: 2211400 48.655 -26.5386 -7.69802 -26.5386 -40.2083 -8.33585 -7.69798 -8.33578 -41.7217 GPRESSAVG: 2211400 48.6208 -28.0414 -7.82967 -25.8629 -40.1744 -7.64215 -8.06866 -9.17981 -42.3406 TIMING: 2211400 CPU: 6583.94, 0.00298414/step Wall: 6583.94, 0.00298414/step, 2.31155 hours remaining, 206.003906 MB of memory in use. ENERGY: 2211400 727.1574 2085.1063 1913.1715 112.3595 -205836.0093 17546.9922 0.0000 0.0000 34155.9689 -149295.2535 298.2926 -183451.2224 -149207.7094 298.8197 -128.0568 -97.7407 558654.7094 -11.0917 -11.2981 PRESSURE: 2211600 -11.313 109.794 148.146 109.794 -110.738 -14.707 148.145 -14.7059 229.558 GPRESSURE: 2211600 39.5213 80.3217 120.092 35.4513 -71.6368 63.648 134.302 16.0612 238.056 PRESSAVG: 2211600 27.0738 -1.05407 54.0592 -1.05397 -45.6612 -3.58704 54.0592 -3.58702 -8.2593 GPRESSAVG: 2211600 27.139 -0.346841 53.1734 -0.135585 -45.7997 -5.07003 54.9292 -3.79086 -7.80034 TIMING: 2211600 CPU: 6584.54, 0.00299013/step Wall: 6584.54, 0.00299013/step, 2.31602 hours remaining, 206.003906 MB of memory in use. ENERGY: 2211600 753.4606 2071.5758 1956.6271 112.5308 -205998.4205 17721.7973 0.0000 0.0000 34134.5574 -149247.8714 298.1056 -183382.4288 -149156.4071 298.3494 35.8356 68.6470 558622.9825 -8.9489 -8.8203 PRESSURE: 2211800 54.9008 -6.72547 -29.632 -6.7247 49.9618 -82.6208 -29.6325 -82.6198 -1.28623 GPRESSURE: 2211800 69.2404 51.1947 -15.0346 -67.2407 76.163 -72.378 -82.917 -127.266 56.9893 PRESSAVG: 2211800 31.2875 -16.4695 32.0758 -16.4696 -40.5474 2.68234 32.0757 2.68237 -18.723 GPRESSAVG: 2211800 31.1897 -19.2582 33.4309 -14.6477 -40.1347 4.03915 31.5366 1.90919 -19.3803 TIMING: 2211800 CPU: 6585.13, 0.00297366/step Wall: 6585.13, 0.00297366/step, 2.3031 hours remaining, 206.003906 MB of memory in use. ENERGY: 2211800 714.7203 2112.4178 1950.3482 112.6113 -206196.1224 17881.9287 0.0000 0.0000 34189.7684 -149234.3277 298.5878 -183424.0960 -149140.2307 298.7684 34.5254 67.4642 558280.9849 -9.3276 -9.4417 PRESSURE: 2212000 -20.5573 14.0521 -31.8904 14.0513 -15.9839 119.614 -31.89 119.614 -110.355 GPRESSURE: 2212000 17.6099 -13.864 -61.4985 7.08996 43.991 69.4211 20.2512 107.219 -98.8716 PRESSAVG: 2212000 -38.7755 -7.31892 1.08459 -7.31888 -36.6216 23.7672 1.08453 23.7674 34.9044 GPRESSAVG: 2212000 -39.455 -6.20541 1.36062 -10.0745 -36.0735 24.0027 0.564996 24.466 35.7371 TIMING: 2212000 CPU: 6585.73, 0.00297389/step Wall: 6585.73, 0.00297389/step, 2.30311 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: 2212000 741.6662 2074.3414 1935.6887 110.5942 -206415.6217 17932.6194 0.0000 0.0000 34310.2278 -149310.4841 299.6398 -183620.7119 -149207.5129 298.6128 -48.9653 -12.4236 558483.0103 -13.4976 -13.2638 PRESSURE: 2212200 -94.5433 -74.8631 37.5805 -74.8621 111.074 -29.0903 37.5802 -29.0905 -177.923 GPRESSURE: 2212200 -63.487 -184.179 -50.3294 -28.2021 157.398 47.6454 40.0387 -154.607 -160.678 PRESSAVG: 2212200 -5.45442 -11.4003 -4.43363 -11.4005 67.4908 -12.6275 -4.43368 -12.6276 -38.7182 GPRESSAVG: 2212200 -4.66468 -10.9933 -6.38588 -11.1811 66.9618 -14.1979 -1.82189 -13.5382 -38.7334 TIMING: 2212200 CPU: 6586.32, 0.00297477/step Wall: 6586.32, 0.00297477/step, 2.30363 hours remaining, 206.003906 MB of memory in use. ENERGY: 2212200 733.6378 2046.3786 1948.4138 98.7327 -206627.1844 17943.5496 0.0000 0.0000 34371.9601 -149484.5117 300.1789 -183856.4718 -149391.1431 298.9857 -53.7973 -22.2556 557906.8223 7.7727 7.8546 LDB: ============= START OF LOAD BALANCING ============== 6589.76 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6589.76 LDB: =============== DONE WITH MIGRATION ================ 6589.76 LDB: ============= START OF LOAD BALANCING ============== 6590.06 LDB: Largest compute 4849 load 0.024348 is 20.6% of average load 0.117996 LDB: Average compute 0.001708 is 1.4% of average load 0.117996 LDB: TIME 6590.06 LOAD: AVG 0.117996 MAX 0.200693 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.031 MB LDB: TIME 6590.06 LOAD: AVG 0.117996 MAX 0.200693 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.164 MB LDB: TIME 6590.06 LOAD: AVG 0.117996 MAX 0.200693 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6590.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6590.07 PRESSURE: 2212400 -78.2065 -155.312 140.709 -155.312 184.985 186.698 140.709 186.698 13.7305 GPRESSURE: 2212400 -44.368 -133.514 136.491 -147.804 221.306 140.767 178.855 171.053 38.2462 PRESSAVG: 2212400 -68.606 -92.0988 -8.50964 -92.0988 50.3823 -5.91802 -8.50949 -5.9181 52.5294 GPRESSAVG: 2212400 -67.4489 -91.1863 -8.15827 -91.8018 49.7488 -7.10446 -9.35129 -5.56529 52.0177 TIMING: 2212400 CPU: 6586.94, 0.00308022/step Wall: 6586.94, 0.00308022/step, 2.38512 hours remaining, 205.800781 MB of memory in use. ENERGY: 2212400 725.8270 2090.9103 1944.8501 95.7859 -206296.8896 17743.1605 0.0000 0.0000 34211.8160 -149484.5397 298.7803 -183696.3557 -149391.3380 299.3811 40.1698 71.7280 557628.7504 11.4352 11.4392 PRESSURE: 2212600 -159.309 -185.047 -32.0572 -185.048 -67.6286 -197.654 -32.0591 -197.654 -52.9758 GPRESSURE: 2212600 -134.36 -173.94 -18.9533 -226.152 -35.0309 -185.648 -31.2356 -147.474 -1.56767 PRESSAVG: 2212600 19.4029 -68.5288 34.9925 -68.5288 -7.0587 -60.6189 34.9923 -60.6189 -38.3022 GPRESSAVG: 2212600 18.3843 -69.1198 35.7737 -69.1628 -6.48356 -59.4794 34.5215 -61.3047 -37.9422 TIMING: 2212600 CPU: 6587.54, 0.00300848/step Wall: 6587.54, 0.00300848/step, 2.3294 hours remaining, 205.800781 MB of memory in use. ENERGY: 2212600 742.8665 2086.3708 1965.2538 119.9299 -205940.7154 17727.8020 0.0000 0.0000 34026.8250 -149271.6674 297.1647 -183298.4925 -149172.3037 298.5395 -93.3044 -56.9862 557624.7794 -8.6527 -8.6805 PRESSURE: 2212800 -173.143 144.538 -80.0992 144.536 -206.121 9.40702 -80.1006 9.40859 -188.073 GPRESSURE: 2212800 -120.15 110.726 27.5969 139.434 -200.531 -7.24173 -72.5254 57.6412 -164.511 PRESSAVG: 2212800 22.1695 -28.8656 25.8205 -28.8657 11.2964 -1.36966 25.8204 -1.36968 -15.6198 GPRESSAVG: 2212800 22.3733 -27.184 26.2494 -28.2951 10.8884 -0.732385 25.8737 -0.137871 -15.4215 TIMING: 2212800 CPU: 6588.15, 0.00304225/step Wall: 6588.15, 0.00304225/step, 2.35537 hours remaining, 205.800781 MB of memory in use. ENERGY: 2212800 737.5295 2059.3314 1940.5879 105.8717 -205882.3380 17512.7508 0.0000 0.0000 34103.6206 -149422.6461 297.8354 -183526.2667 -149324.7589 298.9365 -189.1122 -161.7306 558029.6203 5.9487 5.9467 PRESSURE: 2213000 -11.7505 -97.2652 218.616 -97.2653 -140.879 -293.19 218.615 -293.19 -224.654 GPRESSURE: 2213000 -1.56322 -179.067 272.871 -105.955 -125.859 -272.382 120.944 -271.304 -163.379 PRESSAVG: 2213000 -12.1626 0.923397 39.6213 0.923449 14.1106 -15.829 39.6211 -15.8289 -1.61489 GPRESSAVG: 2213000 -13.0319 1.62601 40.3486 -0.161676 15.3654 -15.7311 39.8764 -17.7885 -1.24557 TIMING: 2213000 CPU: 6588.76, 0.00303625/step Wall: 6588.76, 0.00303625/step, 2.35056 hours remaining, 205.800781 MB of memory in use. ENERGY: 2213000 797.1886 2046.2064 1969.6340 104.9613 -206269.7060 17625.8341 0.0000 0.0000 34299.0594 -149426.8223 299.5422 -183725.8817 -149334.4462 298.5831 -125.7612 -96.9336 556250.8493 0.1110 0.3627 PRESSURE: 2213200 180.794 -90.9849 17.9377 -90.9842 158.74 -75.3881 17.9361 -75.3884 118.714 GPRESSURE: 2213200 195.822 -47.2235 5.76802 -117.846 196.606 -65.7072 -1.85834 -68.0577 154.301 PRESSAVG: 2213200 -54.7677 -23.9187 -46.8967 -23.9187 45.9676 -20.2079 -46.8967 -20.2078 -19.5445 GPRESSAVG: 2213200 -53.9874 -26.6178 -46.9925 -23.8906 45.3636 -20.5156 -47.5102 -18.5727 -19.9306 TIMING: 2213200 CPU: 6589.36, 0.00303655/step Wall: 6589.36, 0.00303655/step, 2.35063 hours remaining, 205.800781 MB of memory in use. ENERGY: 2213200 730.3070 2092.3294 1964.7854 109.7359 -206605.6168 18005.7406 0.0000 0.0000 34282.5638 -149420.1548 299.3982 -183702.7186 -149313.3062 298.4528 152.7493 182.2430 555212.5873 -9.4482 -9.5181 PRESSURE: 2213400 -111.049 -104.66 38.0499 -104.66 135.646 84.7854 38.0495 84.7859 -30.9335 GPRESSURE: 2213400 -87.2407 -178.24 39.1144 -64.8558 115.442 55.2298 67.8081 102.266 66.1661 PRESSAVG: 2213400 -26.5646 27.2462 32.3917 27.2462 20.0843 2.49302 32.3918 2.49324 -1.64833 GPRESSAVG: 2213400 -26.0291 28.7425 32.9703 27.9645 18.8751 2.20635 31.9449 0.596323 -1.80743 TIMING: 2213400 CPU: 6589.96, 0.00300183/step Wall: 6589.96, 0.00300183/step, 2.32358 hours remaining, 205.800781 MB of memory in use. ENERGY: 2213400 747.8930 2115.7732 1954.3645 117.4596 -206169.2793 17877.6610 0.0000 0.0000 33920.4248 -149435.7032 296.2355 -183356.1280 -149347.1517 298.2203 -2.1119 31.4557 556280.2745 -2.7095 -2.9871 PRESSURE: 2213600 -249.184 -148.054 -78.6154 -148.056 113.065 -118.437 -78.6157 -118.437 -122.883 GPRESSURE: 2213600 -153.155 -190.083 -74.2264 -136.016 128.713 -91.7398 -76.311 -101.914 -135.487 PRESSAVG: 2213600 -1.73932 -49.5698 37.4796 -49.5698 55.2039 -20.0462 37.4796 -20.0463 -3.86044 GPRESSAVG: 2213600 -1.92758 -49.8371 36.0733 -50.0686 55.7044 -21.7607 38.0546 -17.6069 -5.15458 TIMING: 2213600 CPU: 6590.56, 0.00298848/step Wall: 6590.56, 0.00298848/step, 2.31308 hours remaining, 205.800781 MB of memory in use. ENERGY: 2213600 745.0226 2104.0891 1943.7275 105.1425 -205803.1852 17514.5512 0.0000 0.0000 34027.1688 -149363.4834 297.1677 -183390.6523 -149268.4351 299.0064 -86.3341 -53.3092 556938.8980 16.5347 16.2074 PRESSURE: 2213800 -133.191 79.5902 7.70904 79.5909 164.172 48.0619 7.71007 48.0607 89.7455 GPRESSURE: 2213800 -81.7705 106.351 15.58 67.3722 207.269 3.47312 -43.8948 2.65843 84.601 PRESSAVG: 2213800 7.15128 -20.4642 -9.92858 -20.4642 -0.0598354 -19.6212 -9.92866 -19.6211 7.35078 GPRESSAVG: 2213800 8.32477 -19.8795 -10.6247 -21.3639 -0.354117 -18.5803 -9.86341 -20.5467 7.03709 TIMING: 2213800 CPU: 6591.16, 0.00300344/step Wall: 6591.16, 0.00300344/step, 2.3245 hours remaining, 205.800781 MB of memory in use. ENERGY: 2213800 700.8045 2136.9146 1957.4444 123.5558 -206256.9778 17783.9393 0.0000 0.0000 34351.5806 -149202.7387 300.0009 -183554.3193 -149104.2356 298.7874 40.2423 70.0330 556863.5347 4.8141 5.0026 PRESSURE: 2214000 17.7052 -44.7663 -145.228 -44.766 -105.586 -193.012 -145.227 -193.011 215.619 GPRESSURE: 2214000 46.3799 0.939951 -221.891 -70.0154 -43.335 -225.473 -92.1706 -89.1687 230.113 PRESSAVG: 2214000 -53.0297 -10.1656 25.4776 -10.1657 -9.99191 -9.1392 25.4776 -9.13926 13.3372 GPRESSAVG: 2214000 -54.5097 -10.798 24.6134 -8.76181 -9.89434 -8.8054 25.5042 -6.77698 15.3489 TIMING: 2214000 CPU: 6591.76, 0.00299819/step Wall: 6591.76, 0.00299819/step, 2.32027 hours remaining, 205.800781 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: 2214000 716.4701 2171.2488 1922.8567 108.5697 -206034.2103 17737.3557 0.0000 0.0000 34258.7463 -149118.9631 299.1902 -183377.7094 -149034.8104 300.1356 42.5796 77.7191 557712.4130 -16.5615 -16.3517 PRESSURE: 2214200 59.9157 -120.735 -60.3263 -120.735 -56.2227 40.6718 -60.3271 40.6707 -192.223 GPRESSURE: 2214200 67.3991 -100.723 -94.9167 -123.628 -29.4662 3.90458 -30.8811 56.3993 -115.162 PRESSAVG: 2214200 -25.3977 -39.8261 -35.0491 -39.8261 9.2748 4.44792 -35.0491 4.44797 -10.6034 GPRESSAVG: 2214200 -25.6061 -42.1452 -32.3985 -39.2113 9.65823 6.11735 -34.9367 2.13119 -10.6712 TIMING: 2214200 CPU: 6592.37, 0.00301698/step Wall: 6592.37, 0.00301698/step, 2.33464 hours remaining, 205.800781 MB of memory in use. ENERGY: 2214200 747.7157 2110.6525 1972.6656 112.0689 -206067.0119 17547.7875 0.0000 0.0000 34410.4172 -149165.7045 300.5147 -183576.1217 -149067.1692 299.4866 -62.8433 -25.7430 557531.7956 -8.9087 -8.8730 PRESSURE: 2214400 2.46697 -114.385 0.919735 -114.386 69.0265 -31.1321 0.919946 -31.1328 -37.811 GPRESSURE: 2214400 61.1867 -189.223 77.5756 13.7713 69.2713 -57.6847 -33.9771 4.09179 5.1058 PRESSAVG: 2214400 45.7252 6.08709 32.6031 6.08706 -16.5774 34.6876 32.6031 34.6878 -12.1201 GPRESSAVG: 2214400 47.0434 7.59375 31.0981 5.48238 -16.3788 32.1502 33.2963 35.4343 -13.5965 TIMING: 2214400 CPU: 6592.97, 0.0030097/step Wall: 6592.97, 0.0030097/step, 2.32884 hours remaining, 205.800781 MB of memory in use. ENERGY: 2214400 787.9829 2110.7873 1948.3618 115.6220 -206305.6491 18024.9629 0.0000 0.0000 34017.3790 -149300.5532 297.0822 -183317.9322 -149205.5813 299.6756 11.2275 45.1879 557723.4325 5.6759 5.6894 PRESSURE: 2214600 182.406 -57.182 0.793878 -57.1811 50.3388 -52.2361 0.79393 -52.2359 -85.9846 GPRESSURE: 2214600 234.422 -33.2406 110.218 -73.0107 65.935 -75.5548 -81.3651 -22.1272 -60.4032 PRESSAVG: 2214600 -32.5644 -22.6427 9.68796 -22.6427 -24.258 -25.3888 9.68812 -25.3887 -0.325152 GPRESSAVG: 2214600 -32.6724 -19.7015 9.633 -24.5238 -24.6824 -24.0264 7.77604 -26.6277 0.389555 TIMING: 2214600 CPU: 6593.57, 0.00301465/step Wall: 6593.57, 0.00301465/step, 2.3325 hours remaining, 205.800781 MB of memory in use. ENERGY: 2214600 726.7545 2128.2303 1952.9784 122.5371 -206338.0801 17809.0483 0.0000 0.0000 34340.7550 -149257.7764 299.9064 -183598.5315 -149159.5544 299.5575 48.9200 79.9846 557782.3834 -19.0492 -18.9884 PRESSURE: 2214800 -46.6281 39.2226 -21.9033 39.2251 -116.129 -137.809 -21.9044 -137.808 -11.852 GPRESSURE: 2214800 -18.8538 -49.5297 -60.2559 131.489 -58.2349 -90.946 32.8977 -136.952 8.93908 PRESSAVG: 2214800 23.1883 -31.745 -14.9245 -31.7449 7.60342 18.5575 -14.9246 18.5575 10.2514 GPRESSAVG: 2214800 22.3983 -33.3206 -13.6262 -30.663 8.65931 18.2959 -16.5888 16.7717 10.1912 TIMING: 2214800 CPU: 6594.17, 0.00298694/step Wall: 6594.17, 0.00298694/step, 2.3109 hours remaining, 205.800781 MB of memory in use. ENERGY: 2214800 747.8105 2083.4417 1966.1445 99.8212 -206065.7228 17636.7733 0.0000 0.0000 34173.9354 -149357.7960 298.4495 -183531.7315 -149267.7182 299.7134 -58.2032 -22.7165 557643.2571 13.6810 13.7496 PRESSURE: 2215000 -0.46621 -150.49 61.3961 -150.49 115.735 36.832 61.3965 36.8323 118.357 GPRESSURE: 2215000 30.3718 -110.544 -33.5272 -184.184 182.561 -17.8299 83.8627 -18.1576 129.423 PRESSAVG: 2215000 54.2422 -11.6475 0.519461 -11.6476 -39.6299 -62.4722 0.519516 -62.4722 -19.3332 GPRESSAVG: 2215000 54.3948 -12.1369 -1.4867 -12.2167 -39.5062 -62.4542 4.72958 -59.2207 -20.243 TIMING: 2215000 CPU: 6594.76, 0.00296759/step Wall: 6594.76, 0.00296759/step, 2.29576 hours remaining, 205.800781 MB of memory in use. ENERGY: 2215000 758.1539 2062.9225 1976.1376 115.2210 -206258.0481 17992.7109 0.0000 0.0000 33955.6522 -149397.2500 296.5432 -183352.9022 -149299.7565 298.3629 77.8753 114.1189 558193.6362 -1.5736 -1.7848 PRESSURE: 2215200 283.673 -14.3288 -22.0062 -14.33 102.276 -175.895 -22.0062 -175.896 97.4363 GPRESSURE: 2215200 325.55 53.5667 -68.2255 -116.227 89.9783 -98.8638 -12.1957 -206.252 172.307 PRESSAVG: 2215200 50.227 -34.7496 -2.45854 -34.7496 -27.762 9.93448 -2.45851 9.93441 -28.9595 GPRESSAVG: 2215200 48.6727 -35.792 -0.88706 -33.4744 -28.2244 8.66803 -5.03006 9.26983 -27.3943 TIMING: 2215200 CPU: 6595.36, 0.00299325/step Wall: 6595.36, 0.00299325/step, 2.31544 hours remaining, 205.800781 MB of memory in use. ENERGY: 2215200 727.7924 2078.3747 1932.5504 114.6886 -206615.2566 18094.2870 0.0000 0.0000 34250.9503 -149416.6131 299.1221 -183667.5635 -149324.7438 297.7060 161.1285 195.9453 557250.2853 -2.1649 -2.3153 PRESSURE: 2215400 74.6682 -58.7301 76.9896 -58.7316 -49.4708 -44.5785 76.9895 -44.5784 47.1212 GPRESSURE: 2215400 140.869 -145.469 44.7018 -41.3133 -3.79327 -33.2039 82.4522 -42.3312 26.2174 PRESSAVG: 2215400 77.2561 38.0684 -27.2329 38.0683 -54.678 -45.8144 -27.2329 -45.8143 -21.1963 GPRESSAVG: 2215400 78.1553 38.7599 -28.2753 36.7674 -54.2699 -46.3254 -26.6608 -44.8593 -22.6465 TIMING: 2215400 CPU: 6595.96, 0.00301957/step Wall: 6595.96, 0.00301957/step, 2.33564 hours remaining, 205.800781 MB of memory in use. ENERGY: 2215400 676.8584 2123.3308 1963.4130 111.3283 -206216.5760 17823.6907 0.0000 0.0000 34129.0710 -149388.8837 298.0577 -183517.9547 -149291.3126 298.2188 24.1062 54.4309 558506.0761 0.4606 0.4130 PRESSURE: 2215600 59.0854 22.836 -29.2113 22.8367 -67.6841 -57.4873 -29.21 -57.4865 403.234 GPRESSURE: 2215600 51.1951 -38.6071 -41.529 85.1863 49.4638 -109.088 76.364 -81.0768 385.432 PRESSAVG: 2215600 -4.38077 35.4776 -18.054 35.4777 -7.95189 -24.8219 -18.0539 -24.822 -35.635 GPRESSAVG: 2215600 -5.11718 35.7547 -16.7794 35.2822 -6.26874 -24.284 -18.6043 -25.0739 -35.3753 TIMING: 2215600 CPU: 6596.57, 0.00302086/step Wall: 6596.57, 0.00302086/step, 2.33647 hours remaining, 205.800781 MB of memory in use. ENERGY: 2215600 731.2517 2105.4837 1929.6634 106.3171 -206400.3067 17904.7854 0.0000 0.0000 34250.9545 -149371.8508 299.1221 -183622.8053 -149270.5257 298.7980 131.5451 162.0303 557526.0000 -15.9892 -15.5871 PRESSURE: 2215800 116.614 114.443 8.78611 114.442 157.332 -39.1145 8.78677 -39.1144 -69.6999 GPRESSURE: 2215800 95.0197 127.983 -11.9544 162.346 202.577 -59.0862 -61.7673 -11.5216 3.62214 PRESSAVG: 2215800 25.8405 43.3601 54.1172 43.3601 -6.90025 40.2103 54.1172 40.2103 28.2914 GPRESSAVG: 2215800 27.8455 43.148 52.5512 45.4374 -8.37196 41.8845 53.6864 38.2111 27.6029 TIMING: 2215800 CPU: 6597.17, 0.00301494/step Wall: 6597.17, 0.00301494/step, 2.33172 hours remaining, 205.800781 MB of memory in use. ENERGY: 2215800 706.4551 2071.9258 1951.5844 121.3772 -206176.0085 17848.7158 0.0000 0.0000 34213.1998 -149262.7503 298.7924 -183475.9501 -149163.9146 298.5552 68.0820 100.4064 557895.1965 15.7439 15.6922 PRESSURE: 2216000 46.1752 134.613 -67.1462 134.613 -98.678 82.8753 -67.1458 82.8753 51.8576 GPRESSURE: 2216000 141.156 136.176 -121.815 149.605 -33.1662 130.817 -82.6246 60.0143 -15.7795 PRESSAVG: 2216000 -4.33256 23.4664 61.6786 23.4664 10.1372 60.5494 61.6786 60.5493 -38.2446 GPRESSAVG: 2216000 -5.35687 22.5122 61.8994 23.4286 10.3873 62.4314 62.345 60.7762 -36.8782 TIMING: 2216000 CPU: 6597.76, 0.00296958/step Wall: 6597.76, 0.00296958/step, 2.29647 hours remaining, 205.800781 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: 2216000 728.0724 2113.4061 1914.4697 115.8588 -206162.9531 17776.3965 0.0000 0.0000 34295.9582 -149218.7914 299.5151 -183514.7496 -149122.5418 299.4250 -0.2151 30.7367 556416.1993 -10.8133 -10.6159 PRESSURE: 2216200 64.9827 -89.0644 -73.736 -89.0652 148.688 -45.2714 -73.7354 -45.2704 -84.2971 GPRESSURE: 2216200 101.211 -65.8822 -80.7175 -111.521 212.57 -2.19113 -109.045 11.318 -86.6246 PRESSAVG: 2216200 2.40034 10.0509 -46.2392 10.0508 10.349 43.2724 -46.2393 43.2724 -11.1325 GPRESSAVG: 2216200 2.22796 10.8859 -46.2528 8.95176 10.3742 39.4536 -45.883 46.1306 -10.5401 TIMING: 2216200 CPU: 6598.36, 0.00298171/step Wall: 6598.36, 0.00298171/step, 2.30569 hours remaining, 205.800781 MB of memory in use. ENERGY: 2216200 746.4458 2123.5804 1940.9472 124.2669 -206426.4167 17903.4913 0.0000 0.0000 34562.7262 -149024.9589 301.8449 -183587.6851 -148928.1143 300.0966 43.1245 75.7190 556408.1003 0.5390 0.6874 LDB: ============= START OF LOAD BALANCING ============== 6601.79 LDB: ============== END OF LOAD BALANCING =============== 6601.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6601.79 LDB: ============= START OF LOAD BALANCING ============== 6602.09 LDB: Largest compute 4849 load 0.024668 is 20.9% of average load 0.118028 LDB: Average compute 0.001712 is 1.5% of average load 0.118028 LDB: TIME 6602.09 LOAD: AVG 0.118028 MAX 0.201797 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.059 MB LDB: TIME 6602.09 LOAD: AVG 0.118028 MAX 0.201797 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.059 MB LDB: TIME 6602.09 LOAD: AVG 0.118028 MAX 0.201797 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.059 MB LDB: ============== END OF LOAD BALANCING =============== 6602.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6602.1 PRESSURE: 2216400 -145.633 -121.312 152.394 -121.312 -311.491 39.8113 152.395 39.812 -320.358 GPRESSURE: 2216400 -121.411 -116.966 202.656 -181.883 -286.609 -45.9234 145.057 80.1818 -281.211 PRESSAVG: 2216400 12.685 -9.22765 12.6606 -9.22775 59.9144 -43.8196 12.6606 -43.8196 -66.7427 GPRESSAVG: 2216400 13.4872 -8.20598 13.8933 -10.9581 60.1133 -42.6507 13.129 -46.9014 -68.2527 TIMING: 2216400 CPU: 6598.97, 0.0030263/step Wall: 6598.97, 0.0030263/step, 2.34 hours remaining, 206.832031 MB of memory in use. ENERGY: 2216400 735.1281 2072.1648 1958.0998 110.7549 -205655.9836 17371.4662 0.0000 0.0000 34320.8439 -149087.5260 299.7325 -183408.3698 -148994.2023 299.9330 -259.1605 -229.7435 557609.6595 1.9522 1.7826 PRESSURE: 2216600 366.085 83.499 83.7712 83.4993 162.656 31.0473 83.7706 31.0478 158.451 GPRESSURE: 2216600 428.034 15.6835 63.7946 153.207 235.312 60.2734 93.5757 46.7672 117.396 PRESSAVG: 2216600 67.8074 3.54629 65.1978 3.54617 -48.702 21.5957 65.1979 21.5957 1.29086 GPRESSAVG: 2216600 66.7844 2.02746 66.5275 3.88383 -48.9525 23.7528 63.869 20.5977 2.47451 TIMING: 2216600 CPU: 6599.57, 0.00302199/step Wall: 6599.57, 0.00302199/step, 2.3365 hours remaining, 206.832031 MB of memory in use. ENERGY: 2216600 721.4502 2069.0706 1949.3302 105.1249 -206463.2192 18100.8830 0.0000 0.0000 34369.3108 -149148.0495 300.1557 -183517.3603 -149044.3386 300.0161 229.0640 260.2472 556094.0228 6.7988 6.7688 PRESSURE: 2216800 293.852 -65.6045 97.0508 -65.604 -161.506 9.73148 97.0524 9.73113 -229.955 GPRESSURE: 2216800 313.092 -125.191 -55.3071 -34.8302 -125.768 74.8471 160.638 28.7257 -186.708 PRESSAVG: 2216800 60.6054 60.6654 36.6817 60.6654 -60.9045 24.9018 36.6817 24.9018 -33.0829 GPRESSAVG: 2216800 60.0772 60.2195 35.3343 62.15 -61.1151 22.4785 37.3193 26.8565 -31.6611 TIMING: 2216800 CPU: 6600.17, 0.00297996/step Wall: 6600.17, 0.00297996/step, 2.30384 hours remaining, 206.832031 MB of memory in use. ENERGY: 2216800 755.8150 2095.1689 1964.5303 109.3717 -206586.7283 17889.3961 0.0000 0.0000 34434.8248 -149337.6215 300.7279 -183772.4463 -149239.4281 299.8517 -32.5366 0.2057 556375.9817 -11.1273 -10.8997 PRESSURE: 2217000 -29.8716 108.59 78.4587 108.589 121.426 -27.0858 78.4586 -27.0859 13.9263 GPRESSURE: 2217000 45.5264 127.834 112.762 106.052 122.017 -29.5812 36.714 47.7281 20.5395 PRESSAVG: 2217000 50.699 40.4464 -17.5354 40.4463 16.81 -37.1195 -17.5354 -37.1195 -63.8434 GPRESSAVG: 2217000 51.1068 41.6484 -16.8206 40.1472 17.37 -37.1311 -16.6532 -37.7193 -65.0658 TIMING: 2217000 CPU: 6600.77, 0.00301009/step Wall: 6600.77, 0.00301009/step, 2.32697 hours remaining, 206.832031 MB of memory in use. ENERGY: 2217000 724.5721 2047.6899 1924.7409 108.1314 -206247.4395 17878.8751 0.0000 0.0000 34216.3107 -149347.1194 298.8196 -183563.4301 -149250.6027 299.2950 35.1603 62.6944 556376.6451 1.2219 1.1370 PRESSURE: 2217200 18.4678 -185.15 -52.0397 -185.149 -25.0421 80.4065 -52.0394 80.4053 93.23 GPRESSURE: 2217200 64.7481 -158.154 55.61 -111.381 -1.4498 102.223 -88.5393 21.9794 104.873 PRESSAVG: 2217200 -36.3518 -29.3642 -8.01041 -29.3642 -5.92064 22.7201 -8.01054 22.72 10.2494 GPRESSAVG: 2217200 -34.1691 -29.3648 -8.31785 -30.1102 -8.16197 22.6796 -8.59272 22.5677 10.0564 TIMING: 2217200 CPU: 6601.37, 0.00301994/step Wall: 6601.37, 0.00301994/step, 2.33441 hours remaining, 206.832031 MB of memory in use. ENERGY: 2217200 740.2675 2153.3882 1942.6983 116.4549 -206218.3671 17803.6581 0.0000 0.0000 34156.9799 -149304.9202 298.3014 -183461.9001 -149212.9014 299.1870 28.8852 56.0571 557309.3039 -10.6743 -10.7582 PRESSURE: 2217400 233.707 117.894 89.0765 117.894 65.8083 -89.7373 89.0772 -89.7372 45.0909 GPRESSURE: 2217400 286.695 146.42 19.8247 83.6388 81.7428 -58.1671 62.7487 -74.6481 68.8191 PRESSAVG: 2217400 -37.7249 -24.4011 -12.737 -24.4011 8.02508 -12.3043 -12.737 -12.3042 51.4952 GPRESSAVG: 2217400 -38.4423 -25.2381 -13.6622 -24.2089 9.98378 -12.6074 -12.5428 -12.5072 50.0149 TIMING: 2217400 CPU: 6601.98, 0.00302044/step Wall: 6601.98, 0.00302044/step, 2.33463 hours remaining, 206.832031 MB of memory in use. ENERGY: 2217400 722.7922 2130.9714 1949.9627 116.0386 -206434.1411 17994.0160 0.0000 0.0000 34330.7797 -149189.5806 299.8192 -183520.3603 -149092.8206 298.8683 114.8686 145.7525 557569.7796 7.2651 7.1855 PRESSURE: 2217600 75.7613 22.7703 -111.266 22.7696 -45.762 47.9218 -111.266 47.9201 -24.4336 GPRESSURE: 2217600 71.8726 42.586 -153.242 -46.69 -48.7775 -63.6393 -85.8756 138.504 82.8389 PRESSAVG: 2217600 1.12151 6.79491 -30.2417 6.79485 40.9027 20.5677 -30.2416 20.5678 2.01445 GPRESSAVG: 2217600 1.87488 8.70023 -30.4561 6.28412 38.4162 21.7377 -30.329 20.8903 3.70373 TIMING: 2217600 CPU: 6602.58, 0.00300541/step Wall: 6602.58, 0.00300541/step, 2.32285 hours remaining, 206.832031 MB of memory in use. ENERGY: 2217600 732.2123 2107.0833 1930.3784 116.8145 -206559.1707 17993.7174 0.0000 0.0000 34475.2960 -149203.6688 301.0813 -183678.9647 -149106.4859 299.3908 1.8552 35.3114 558219.4950 14.6796 14.6649 PRESSURE: 2217800 16.2525 80.681 91.0506 80.6808 157.536 -15.7961 91.0506 -15.7949 16.2392 GPRESSURE: 2217800 53.4549 195.385 47.2645 2.43924 204.304 -57.044 62.4932 -59.1264 40.0821 PRESSAVG: 2217800 -3.43399 3.29577 -34.0495 3.29583 56.9132 13.4676 -34.0495 13.4676 -44.2723 GPRESSAVG: 2217800 -3.99932 0.0926174 -33.2187 7.12399 58.8305 13.6617 -33.7884 15.0185 -45.1 TIMING: 2217800 CPU: 6603.18, 0.0029982/step Wall: 6603.18, 0.0029982/step, 2.31711 hours remaining, 206.832031 MB of memory in use. ENERGY: 2217800 704.3760 2092.8975 1949.3483 107.5405 -206133.0765 17870.4697 0.0000 0.0000 34125.9266 -149282.5180 298.0302 -183408.4446 -149180.5187 299.2380 63.3426 99.2804 558016.6865 3.0690 3.2437 PRESSURE: 2218000 -128.359 -11.8638 165.616 -11.8633 61.1409 -56.969 165.615 -56.9697 316.905 GPRESSURE: 2218000 -95.5963 3.9666 203.042 0.808775 109.594 -84.8485 163.818 10.8837 328.223 PRESSAVG: 2218000 13.9523 -56.5024 9.64378 -56.5024 10.8824 8.70092 9.64359 8.70091 -25.2501 GPRESSAVG: 2218000 13.6647 -54.2039 8.46622 -60.3567 10.8263 7.96416 10.4898 9.26434 -25.0174 TIMING: 2218000 CPU: 6603.78, 0.00298785/step Wall: 6603.78, 0.00298785/step, 2.30895 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: 2218000 721.8614 2051.6920 1949.0825 107.0475 -205896.1487 17684.8949 0.0000 0.0000 34241.0940 -149140.4764 299.0360 -183381.5704 -149042.1917 299.0304 83.2290 114.0736 555984.9636 -0.1385 -0.1754 PRESSURE: 2218200 95.9061 -161.462 33.1593 -161.462 -133.838 22.8583 33.1597 22.8584 278.193 GPRESSURE: 2218200 147.877 -176.633 21.1991 -105.618 -76.9689 55.7886 -8.63365 -27.1646 263.953 PRESSAVG: 2218200 12.7372 -77.44 51.6741 -77.44 20.2276 -21.0759 51.6743 -21.0759 -21.16 GPRESSAVG: 2218200 14.3717 -77.8434 51.668 -76.1745 20.6518 -19.8233 51.1952 -23.5562 -23.3104 TIMING: 2218200 CPU: 6604.37, 0.00298306/step Wall: 6604.37, 0.00298306/step, 2.30507 hours remaining, 206.832031 MB of memory in use. ENERGY: 2218200 771.3132 2106.0517 1956.9388 124.6561 -206157.5378 17862.1902 0.0000 0.0000 34256.8190 -149079.5688 299.1733 -183336.3879 -148984.1574 299.7286 80.0869 111.6204 558059.4348 3.9349 3.9044 PRESSURE: 2218400 -38.5662 52.6346 66.6036 52.6343 -198.419 -12.7502 66.6048 -12.7502 -253.267 GPRESSURE: 2218400 -21.1049 113.797 98.8048 -40.4094 -121.7 22.8817 -57.6806 -13.5771 -253.368 PRESSAVG: 2218400 -16.6117 -25.2147 -14.435 -25.2148 -44.4513 -28.5475 -14.435 -28.5475 42.4192 GPRESSAVG: 2218400 -17.5115 -23.4662 -14.9358 -27.4565 -45.5356 -29.5149 -15.4424 -27.6068 44.2048 TIMING: 2218400 CPU: 6604.98, 0.00302081/step Wall: 6604.98, 0.00302081/step, 2.33408 hours remaining, 206.832031 MB of memory in use. ENERGY: 2218400 726.4653 2152.6468 1954.3943 121.1136 -205954.7985 17761.9185 0.0000 0.0000 34157.1248 -149081.1351 298.3027 -183238.2599 -148982.8776 299.5777 -163.4174 -132.0579 560663.0810 -6.2146 -6.2808 PRESSURE: 2218600 67.9411 -34.0166 -72.944 -34.016 -21.338 -3.15831 -72.9435 -3.1593 -102.531 GPRESSURE: 2218600 41.0949 -112.666 -105.033 45.5996 59.7719 -32.7544 -9.84185 -27.2205 -63.188 PRESSAVG: 2218600 15.1823 33.9437 -1.94904 33.9437 -48.7568 17.679 -1.94897 17.6789 62.7333 GPRESSAVG: 2218600 13.6762 32.8388 -0.661796 36.4292 -47.3836 18.1008 -1.52219 17.7195 63.1718 TIMING: 2218600 CPU: 6605.58, 0.0030442/step Wall: 6605.58, 0.0030442/step, 2.35199 hours remaining, 206.832031 MB of memory in use. ENERGY: 2218600 728.6408 2100.3167 1944.1869 113.3893 -205873.9906 17565.9444 0.0000 0.0000 34297.3991 -149124.1134 299.5277 -183421.5125 -149031.2531 298.6814 -18.6427 12.5596 558507.0255 9.7196 9.8215 PRESSURE: 2218800 97.7374 120.431 78.6738 120.433 -87.8243 -34.3754 78.6742 -34.3756 -71.53 GPRESSURE: 2218800 96.7199 135.823 134.362 75.5088 -57.2643 6.45222 32.3768 -95.3506 -21.5493 PRESSAVG: 2218800 4.46341 -28.1091 -30.4169 -28.109 -49.8184 -27.1248 -30.4169 -27.1248 -15.5419 GPRESSAVG: 2218800 4.23875 -27.1665 -29.817 -30.095 -49.6329 -28.5672 -32.2935 -25.322 -15.7468 TIMING: 2218800 CPU: 6606.19, 0.00301828/step Wall: 6606.19, 0.00301828/step, 2.33179 hours remaining, 206.832031 MB of memory in use. ENERGY: 2218800 742.6856 2087.6446 1931.9660 108.5496 -205930.7096 17790.5111 0.0000 0.0000 34069.3992 -149199.9535 297.5365 -183269.3527 -149104.5719 299.1322 -20.5390 5.9688 560048.2875 -20.2990 -20.3803 PRESSURE: 2219000 17.5984 -100.16 -58.4096 -100.16 143.552 -4.62744 -58.4109 -4.62914 1.62179 GPRESSURE: 2219000 44.3047 -110.072 -108.247 -44.8935 202.51 -109.587 -12.1044 97.6754 8.17439 PRESSAVG: 2219000 -39.6157 -50.7651 -52.956 -50.7651 -9.81035 13.7566 -52.9559 13.7566 21.9388 GPRESSAVG: 2219000 -38.1061 -50.9995 -53.818 -51.0502 -11.5807 14.2041 -53.8751 11.9219 22.0274 TIMING: 2219000 CPU: 6606.79, 0.00301724/step Wall: 6606.79, 0.00301724/step, 2.33082 hours remaining, 206.832031 MB of memory in use. ENERGY: 2219000 801.8460 2074.0638 1945.8982 121.7725 -206327.0303 18036.4296 0.0000 0.0000 34188.8597 -149158.1605 298.5798 -183347.0202 -149062.4150 299.4188 54.2574 84.9963 558083.5372 -9.1624 -9.2198 PRESSURE: 2219200 -138.36 -150.478 5.53559 -150.478 -90.3171 121.867 5.53566 121.867 -199.452 GPRESSURE: 2219200 -76.8073 -116.682 14.4127 -108.783 -61.0144 150.041 -59.8699 39.3561 -191.831 PRESSAVG: 2219200 38.0768 -22.3011 7.47292 -22.3009 -16.9069 2.10108 7.47285 2.10113 -15.0722 GPRESSAVG: 2219200 37.6197 -23.0619 6.74786 -21.532 -15.766 5.17336 10.24 0.991601 -15.8647 TIMING: 2219200 CPU: 6607.39, 0.00300922/step Wall: 6607.39, 0.00300922/step, 2.32445 hours remaining, 206.832031 MB of memory in use. ENERGY: 2219200 751.5014 2112.4808 1948.9387 124.2455 -206014.9735 17564.0793 0.0000 0.0000 34513.4172 -149000.3107 301.4143 -183513.7278 -148902.2829 299.4116 -142.7095 -109.8841 558007.1906 2.0326 1.9964 PRESSURE: 2219400 75.4838 210.86 215.133 210.858 -85.6748 85.8083 215.132 85.8112 -53.7019 GPRESSURE: 2219400 87.5118 185.785 125.802 213.382 -52.8014 105.17 242.634 136.236 0.582853 PRESSAVG: 2219400 64.3606 -65.2969 -1.79821 -65.2969 -18.8618 -24.1812 -1.79825 -24.1812 -79.8596 GPRESSAVG: 2219400 65.3494 -65.5633 -2.1646 -63.5753 -19.7274 -26.2316 -2.70984 -22.7137 -79.8314 TIMING: 2219400 CPU: 6608, 0.00300791/step Wall: 6608, 0.00300791/step, 2.32328 hours remaining, 206.832031 MB of memory in use. ENERGY: 2219400 717.4916 2054.9957 1951.4641 108.2194 -205606.1726 17624.0142 0.0000 0.0000 34370.4937 -148779.4939 300.1661 -183149.9876 -148678.2221 300.4364 -21.2976 11.7644 556841.2861 -11.4536 -11.4031 PRESSURE: 2219600 92.151 -96.7858 203.709 -96.7866 -239.877 -173.401 203.709 -173.402 139.542 GPRESSURE: 2219600 130.069 -202.033 205.002 -62.4516 -216.083 -168.799 120.843 -177.011 170.901 PRESSAVG: 2219600 37.6885 -36.9364 31.0333 -36.9364 -40.905 -6.88358 31.0332 -6.88348 23.1874 GPRESSAVG: 2219600 38.5118 -35.6717 32.2118 -39.2449 -41.1647 -6.31192 31.7158 -8.42942 22.8612 TIMING: 2219600 CPU: 6608.6, 0.00301631/step Wall: 6608.6, 0.00301631/step, 2.32959 hours remaining, 206.832031 MB of memory in use. ENERGY: 2219600 726.8072 2128.5644 1917.6472 114.5015 -205939.6782 17586.4862 0.0000 0.0000 34584.4044 -148881.2673 302.0342 -183465.6717 -148781.6905 301.1212 -2.7278 28.2958 557181.1161 6.6570 6.7361 PRESSURE: 2219800 -117.917 -57.7736 33.7153 -57.774 -150.391 -19.3732 33.7173 -19.3757 -193.915 GPRESSURE: 2219800 -76.5946 -55.9626 -17.8271 -177.773 -166.577 -23.7344 52.7982 -59.7253 -129.006 PRESSAVG: 2219800 34.0802 -24.244 34.4371 -24.244 -75.3127 -18.5814 34.4371 -18.5814 50.1303 GPRESSAVG: 2219800 32.2827 -26.9912 34.9567 -23.7375 -74.7994 -19.3095 34.1174 -17.5405 51.2561 TIMING: 2219800 CPU: 6609.2, 0.00299943/step Wall: 6609.2, 0.00299943/step, 2.31639 hours remaining, 206.832031 MB of memory in use. ENERGY: 2219800 736.8546 2108.2386 1937.4849 102.6219 -205527.4925 17440.2920 0.0000 0.0000 34333.8954 -148868.1052 299.8464 -183202.0006 -148776.4888 300.9109 -154.0744 -124.0593 558787.2801 2.9659 2.9132 PRESSURE: 2220000 -187.045 65.0489 132.691 65.0484 216.039 119.949 132.693 119.948 -222.532 GPRESSURE: 2220000 -80.7939 77.3394 102.955 -56.7088 208.273 127.075 173.066 98.7326 -212.983 PRESSAVG: 2220000 -39.6342 15.8912 -18.1214 15.8911 1.12738 19.1953 -18.1214 19.1953 30.1553 GPRESSAVG: 2220000 -39.3312 17.9233 -19.2395 14.6083 0.791232 18.3239 -16.6783 18.6413 30.2466 TIMING: 2220000 CPU: 6609.79, 0.00297718/step Wall: 6609.79, 0.00297718/step, 2.29905 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: 2220000 711.1363 2106.6220 1942.8941 106.2202 -206111.2693 17711.2409 0.0000 0.0000 34583.2719 -148949.8839 302.0243 -183533.1558 -148855.7519 300.4523 -64.5126 -28.5013 558972.4613 -2.7838 -2.7645 PRESSURE: 2220200 88.3867 83.2089 76.813 83.2083 11.444 -2.43352 76.8133 -2.43411 93.5564 GPRESSURE: 2220200 100.378 33.8887 108.459 74.6905 85.0494 -3.07263 55.4713 -15.7673 109.816 PRESSAVG: 2220200 1.55122 -28.0324 44.2531 -28.0324 29.9663 -16.7733 44.2531 -16.7732 -25.3558 GPRESSAVG: 2220200 2.03474 -26.5922 44.2571 -25.697 28.7841 -17.2374 43.5253 -15.1834 -25.3111 TIMING: 2220200 CPU: 6610.39, 0.00295739/step Wall: 6610.39, 0.00295739/step, 2.2836 hours remaining, 206.832031 MB of memory in use. ENERGY: 2220200 713.5516 2002.5268 1921.7726 111.5577 -205715.9865 17844.0080 0.0000 0.0000 34134.4169 -148988.1530 298.1044 -183122.5698 -148892.5546 299.4699 64.4624 98.4147 558059.3617 2.0539 1.8359 LDB: ============= START OF LOAD BALANCING ============== 6613.81 LDB: ============== END OF LOAD BALANCING =============== 6613.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6613.81 LDB: ============= START OF LOAD BALANCING ============== 6614.11 LDB: Largest compute 4821 load 0.024860 is 21.1% of average load 0.118035 LDB: Average compute 0.001708 is 1.4% of average load 0.118035 LDB: TIME 6614.11 LOAD: AVG 0.118035 MAX 0.201295 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.609 MB LDB: TIME 6614.11 LOAD: AVG 0.118035 MAX 0.201295 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: TIME 6614.11 LOAD: AVG 0.118035 MAX 0.201295 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6614.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6614.12 PRESSURE: 2220400 -130.763 22.4795 102.004 22.4803 -470.921 68.2426 102.005 68.2432 -61.0016 GPRESSURE: 2220400 -65.4482 42.4509 225.442 39.1718 -418.885 78.1383 -27.5159 54.8698 -83.9311 PRESSAVG: 2220400 11.2706 -68.8734 64.0483 -68.8735 4.94063 1.86421 64.0483 1.86427 -12.5331 GPRESSAVG: 2220400 11.6635 -71.8681 65.7343 -68.1671 5.75412 4.02157 63.3117 -0.247086 -13.5462 TIMING: 2220400 CPU: 6610.99, 0.00302997/step Wall: 6610.99, 0.00302997/step, 2.33947 hours remaining, 205.289062 MB of memory in use. ENERGY: 2220400 740.5446 2089.4487 1923.2242 123.0660 -205826.8784 17583.3198 0.0000 0.0000 34274.7621 -149092.5129 299.3300 -183367.2750 -148982.8435 299.3527 -220.8952 -189.4215 557986.2070 1.2261 1.2905 PRESSURE: 2220600 35.8144 -30.5223 29.5161 -30.5232 -60.6705 63.2384 29.5159 63.2389 -432.12 GPRESSURE: 2220600 10.2142 51.9387 9.85874 -2.03372 -32.5028 214.469 51.2629 -40.8586 -337.136 PRESSAVG: 2220600 31.1605 -33.4996 24.8419 -33.4996 27.6343 -40.5558 24.8421 -40.5558 -69.317 GPRESSAVG: 2220600 29.6598 -32.3695 23.0997 -34.7906 26.6453 -43.3727 25.3575 -37.5706 -66.6072 TIMING: 2220600 CPU: 6611.59, 0.00299045/step Wall: 6611.59, 0.00299045/step, 2.30879 hours remaining, 205.289062 MB of memory in use. ENERGY: 2220600 705.1878 2051.9740 1931.9863 102.9886 -205587.5588 17414.7800 0.0000 0.0000 34191.0584 -149189.5838 298.5990 -183380.6422 -149092.5564 299.6592 -152.3254 -119.8082 559334.5910 -3.5074 -3.4340 PRESSURE: 2220800 -135.687 46.5111 -119.604 46.5111 -101.225 -14.7683 -119.607 -14.7686 28.5704 GPRESSURE: 2220800 -110.463 -16.1829 -186.683 53.3475 -53.7405 -36.1305 -107.631 103.649 56.8338 PRESSAVG: 2220800 -50.1917 -7.43299 -16.7014 -7.43305 33.7408 -0.433939 -16.7014 -0.433941 -4.08326 GPRESSAVG: 2220800 -49.272 -7.90939 -14.5785 -7.45732 34.8739 1.54491 -18.4275 -1.73993 -6.14439 TIMING: 2220800 CPU: 6612.18, 0.00297687/step Wall: 6612.18, 0.00297687/step, 2.29815 hours remaining, 205.289062 MB of memory in use. ENERGY: 2220800 745.5259 2092.0822 1936.3474 118.7779 -206034.7729 17667.1147 0.0000 0.0000 34383.5509 -149091.3740 300.2801 -183474.9249 -148993.0498 298.8275 -69.4469 -35.7900 557748.6133 -6.8447 -6.8475 PRESSURE: 2221000 63.9301 -62.5399 63.1154 -62.5388 74.7084 17.608 63.1166 17.6096 -85.4713 GPRESSURE: 2221000 74.6522 42.9081 73.9756 -107.593 171.079 -42.0351 77.2754 98.4596 -90.4221 PRESSAVG: 2221000 2.7914 -6.59355 6.79259 -6.59348 25.5788 -25.1983 6.7926 -25.1982 -21.8983 GPRESSAVG: 2221000 2.43462 -6.0789 2.99694 -5.65675 25.0362 -24.8646 9.31741 -23.8142 -21.3066 TIMING: 2221000 CPU: 6612.78, 0.00298255/step Wall: 6612.78, 0.00298255/step, 2.30236 hours remaining, 205.289062 MB of memory in use. ENERGY: 2221000 719.1115 2014.9157 1967.8072 110.2503 -205802.4163 17743.1117 0.0000 0.0000 34376.3281 -148870.8917 300.2170 -183247.2198 -148770.2071 300.0951 17.7224 51.7698 558544.1105 2.1573 2.0548 PRESSURE: 2221200 65.9484 -105.945 -24.31 -105.944 123.53 67.7626 -24.3093 67.7636 151.686 GPRESSURE: 2221200 92.5367 -128.762 11.4018 -76.1876 142.717 -16.6816 -32.5172 146.459 195.373 PRESSAVG: 2221200 -74.4313 30.7802 -7.79214 30.7801 71.0927 22.8672 -7.79217 22.8672 64.101 GPRESSAVG: 2221200 -74.245 30.2495 -5.51598 30.3434 71.0024 22.4913 -9.45117 20.4171 64.0593 TIMING: 2221200 CPU: 6613.38, 0.00301797/step Wall: 6613.38, 0.00301797/step, 2.32954 hours remaining, 205.289062 MB of memory in use. ENERGY: 2221200 719.7220 2064.1877 1948.0058 104.8923 -206034.1987 17885.4398 0.0000 0.0000 34494.0379 -148817.9132 301.2450 -183311.9511 -148722.7949 300.6076 113.7212 143.5423 557461.3528 20.2542 20.2722 PRESSURE: 2221400 318.48 207.032 -6.60406 207.031 -10.6924 -132.117 -6.60376 -132.116 -108.474 GPRESSURE: 2221400 322.528 135.085 42.1513 296.557 6.54357 -5.78288 -52.6658 -208.903 -32.0937 PRESSAVG: 2221400 0.828377 22.7713 73.4266 22.7713 -33.5868 -6.6376 73.4268 -6.63753 24.929 GPRESSAVG: 2221400 0.715304 21.858 74.3355 23.7512 -33.4591 -7.06539 73.087 -5.73997 24.8696 TIMING: 2221400 CPU: 6613.99, 0.00302854/step Wall: 6613.99, 0.00302854/step, 2.33753 hours remaining, 205.289062 MB of memory in use. ENERGY: 2221400 768.2453 2107.8130 1935.5324 116.7372 -205983.3591 17865.4074 0.0000 0.0000 34347.2124 -148842.4113 299.9627 -183189.6238 -148745.7329 300.5080 66.4379 98.9927 557525.3770 -2.6098 -2.6247 PRESSURE: 2221600 -45.6186 1.96537 -50.9183 1.96434 -214.784 14.7595 -50.9193 14.7582 -60.419 GPRESSURE: 2221600 -35.0568 -17.279 -84.2081 109.251 -175.434 -89.6199 74.6135 5.9792 -7.52897 PRESSAVG: 2221600 35.7376 -9.94523 -49.1189 -9.94529 46.3753 8.69867 -49.119 8.69865 -106.672 GPRESSAVG: 2221600 35.484 -7.9764 -51.0646 -11.9207 45.9978 10.4447 -47.7862 7.04325 -106.466 TIMING: 2221600 CPU: 6614.59, 0.00300723/step Wall: 6614.59, 0.00300724/step, 2.32092 hours remaining, 205.289062 MB of memory in use. ENERGY: 2221600 702.8476 2125.4651 1966.5989 124.4107 -205761.9493 17563.8288 0.0000 0.0000 34446.2596 -148832.5386 300.8278 -183278.7982 -148731.5668 300.6859 -106.9407 -72.6734 558245.0932 -8.1864 -8.3281 PRESSURE: 2221800 -4.37251 60.4449 18.5625 60.4446 177.122 -154.805 18.5616 -154.807 -451.985 GPRESSURE: 2221800 27.3354 62.5483 -39.0141 17.1614 227.823 -170.954 60.2403 -147.806 -437.807 PRESSAVG: 2221800 7.61446 40.5007 -10.2536 40.5007 -10.1593 23.171 -10.2536 23.171 -3.00661 GPRESSAVG: 2221800 8.75128 39.5245 -10.219 41.2121 -9.99876 21.4135 -10.5012 23.3652 -3.75673 TIMING: 2221800 CPU: 6615.19, 0.00298619/step Wall: 6615.19, 0.00298619/step, 2.30451 hours remaining, 205.289062 MB of memory in use. ENERGY: 2221800 730.2596 2018.9408 1956.4028 113.9654 -205670.9692 17609.6361 0.0000 0.0000 34225.3551 -149016.4094 298.8985 -183241.7645 -148920.3907 300.2318 -93.0782 -60.8830 556559.2768 -1.8505 -1.6681 PRESSURE: 2222000 -172.037 -57.39 41.1818 -57.3892 -238.778 7.31276 41.1811 7.31211 108.64 GPRESSURE: 2222000 -153.197 -63.2883 54.0013 -43.7476 -187.521 8.56757 17.2118 19.8558 138.435 PRESSAVG: 2222000 -37.655 11.138 44.9542 11.138 68.9805 11.897 44.9542 11.897 -52.4184 GPRESSAVG: 2222000 -38.1818 11.788 45.6733 10.9105 69.1245 13.0203 44.3407 13.0071 -51.7112 TIMING: 2222000 CPU: 6615.78, 0.00296973/step Wall: 6615.78, 0.00296973/step, 2.29164 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: 2222000 770.9296 2145.4503 1926.4201 106.6263 -205732.4416 17615.3175 0.0000 0.0000 34123.3166 -149044.3811 298.0074 -183167.6977 -148952.9107 299.4327 -100.7251 -67.4279 557658.0538 -7.0310 -6.9228 PRESSURE: 2222200 117.517 -166.148 -165.317 -166.147 60.2524 -66.5806 -165.316 -66.5801 -99.2922 GPRESSURE: 2222200 145.532 -210.344 -75.9547 -255.175 97.5778 -48.9198 -197.025 -88.8305 -58.2585 PRESSAVG: 2222200 7.72781 -13.0984 18.5797 -13.0984 25.6524 -18.1259 18.5796 -18.1259 -29.0397 GPRESSAVG: 2222200 8.27764 -14.2969 18.1302 -12.0664 26.0569 -17.9117 21.91 -19.3171 -30.0668 TIMING: 2222200 CPU: 6616.38, 0.0029824/step Wall: 6616.38, 0.0029824/step, 2.30125 hours remaining, 205.289062 MB of memory in use. ENERGY: 2222200 719.2312 2087.2771 1947.7296 109.6070 -206112.4174 17938.8534 0.0000 0.0000 34241.2515 -149068.4677 299.0374 -183309.7192 -148978.7232 299.5196 26.1589 61.6169 559161.0052 1.4468 1.4226 PRESSURE: 2222400 -120.091 -46.5813 43.3396 -46.5812 -274.12 25.4702 43.3404 25.4699 -329.283 GPRESSURE: 2222400 -67.9487 -67.015 23.8148 -44.5831 -199.998 84.2673 -0.775719 63.3762 -360.995 PRESSAVG: 2222400 -54.2962 -69.3358 -23.1856 -69.3358 42.2399 8.34477 -23.1855 8.3447 10.2152 GPRESSAVG: 2222400 -55.7082 -67.9077 -21.811 -70.8999 41.6614 7.29847 -27.1244 11.3317 12.486 TIMING: 2222400 CPU: 6616.98, 0.00299473/step Wall: 6616.98, 0.00299473/step, 2.3106 hours remaining, 205.289062 MB of memory in use. ENERGY: 2222400 750.0722 2134.8893 1911.2544 116.9421 -205726.9399 17462.0099 0.0000 0.0000 34339.3632 -149012.4088 299.8942 -183351.7720 -148916.8436 299.8175 -241.1648 -209.6473 558766.8543 -0.6137 -0.5203 PRESSURE: 2222600 -59.4955 -54.6542 30.1322 -54.6543 -75.8635 -166.444 30.1325 -166.444 -99.8378 GPRESSURE: 2222600 -80.3574 -12.9478 5.09229 2.86394 -66.0642 -150.255 37.5317 -170.592 3.30325 PRESSAVG: 2222600 61.1485 26.0204 46.3645 26.0203 -42.0468 -11.7129 46.3645 -11.7129 -51.1742 GPRESSAVG: 2222600 62.4525 24.9826 47.0797 27.425 -42.1652 -9.75294 46.3094 -14.8061 -51.9705 TIMING: 2222600 CPU: 6617.57, 0.00297655/step Wall: 6617.57, 0.00297655/step, 2.29641 hours remaining, 205.289062 MB of memory in use. ENERGY: 2222600 720.8336 2156.0262 1972.6450 117.9365 -206065.0573 17701.1295 0.0000 0.0000 34243.0233 -149153.4631 299.0528 -183396.4865 -149061.5203 299.8915 -78.3989 -47.7061 558253.1346 -10.6908 -10.5610 PRESSURE: 2222800 -196.731 -5.29023 100.981 -5.29176 -375.361 -22.4525 100.982 -22.4538 -127.88 GPRESSURE: 2222800 -205.195 -60.4247 189.356 8.6304 -296.559 -30.3769 140.243 0.0613265 -106.684 PRESSAVG: 2222800 21.5656 -5.90368 -13.1612 -5.90359 45.4943 -22.231 -13.1611 -22.2311 -36.2504 GPRESSAVG: 2222800 21.2253 -3.55171 -13.8397 -8.40015 47.5613 -22.5204 -10.907 -20.1189 -37.88 TIMING: 2222800 CPU: 6618.17, 0.00296079/step Wall: 6618.17, 0.00296079/step, 2.28408 hours remaining, 205.289062 MB of memory in use. ENERGY: 2222800 773.8645 2055.9102 1964.9822 120.1449 -205912.9393 17561.6550 0.0000 0.0000 34082.6772 -149353.7052 297.6525 -183436.3824 -149264.0107 299.0625 -233.3237 -202.8126 558838.0602 10.2698 10.3022 PRESSURE: 2223000 -180.394 105.039 154.18 105.039 -157.342 -27.4569 154.181 -27.4568 -166.473 GPRESSURE: 2223000 -113.442 81.7778 117.787 155.218 -122.535 -35.9153 58.064 32.9107 -171.987 PRESSAVG: 2223000 -29.4619 3.36192 -27.6343 3.3619 40.006 -42.6362 -27.6342 -42.6362 -29.7394 GPRESSAVG: 2223000 -29.4413 1.91958 -28.0935 4.51101 38.952 -44.6728 -30.2968 -43.7573 -29.0617 TIMING: 2223000 CPU: 6618.76, 0.00296272/step Wall: 6618.76, 0.00296272/step, 2.28541 hours remaining, 205.289062 MB of memory in use. ENERGY: 2223000 756.6828 2085.7944 1947.9762 112.6192 -206150.8050 17579.1346 0.0000 0.0000 34182.9443 -149485.6536 298.5282 -183668.5979 -149387.1344 297.9779 -168.0697 -135.9882 558170.5369 -6.3984 -6.5170 PRESSURE: 2223200 -13.366 23.9991 19.738 24 0.576854 13.4475 19.74 13.4477 -160.312 GPRESSURE: 2223200 81.641 61.1573 -35.2029 -9.08164 1.57125 44.0613 67.9669 -11.156 -158.998 PRESSAVG: 2223200 -4.83239 37.4148 48.7767 37.4148 16.1109 14.7531 48.7767 14.7532 -45.4697 GPRESSAVG: 2223200 -4.32617 36.9816 49.5206 36.1704 16.5563 18.041 49.1523 12.0592 -45.8413 TIMING: 2223200 CPU: 6619.35, 0.00297727/step Wall: 6619.35, 0.00297727/step, 2.29647 hours remaining, 205.289062 MB of memory in use. ENERGY: 2223200 730.8819 2113.8523 1945.0162 106.2629 -206102.0274 17716.9948 0.0000 0.0000 34033.1145 -149455.9049 297.2197 -183489.0194 -149365.9453 298.1991 -57.7004 -25.2618 557867.9273 -11.3971 -11.2037 PRESSURE: 2223400 -98.9809 147.95 103.685 147.949 -116.363 156.754 103.685 156.755 -265.944 GPRESSURE: 2223400 -66.8097 89.0149 182.689 148.606 -89.0033 156.226 134.732 137.092 -245.435 PRESSAVG: 2223400 28.0679 3.81047 -27.3046 3.81051 -74.3054 -43.451 -27.3046 -43.451 57.6193 GPRESSAVG: 2223400 28.0025 6.52359 -26.8405 3.74695 -75.6447 -47.4872 -25.503 -40.0968 58.8748 TIMING: 2223400 CPU: 6619.95, 0.00296102/step Wall: 6619.95, 0.00296102/step, 2.28377 hours remaining, 205.289062 MB of memory in use. ENERGY: 2223400 763.2148 2116.4910 1944.1438 110.8749 -206117.5240 17589.7223 0.0000 0.0000 34207.9702 -149385.1070 298.7467 -183593.0772 -149290.3074 298.0869 -160.4294 -133.7493 556630.4287 3.7940 3.7442 PRESSURE: 2223600 -233.926 -37.2621 252.556 -37.2609 -75.51 -41.8707 252.557 -41.8714 113.853 GPRESSURE: 2223600 -215.276 11.3685 168.954 -79.5907 -23.387 -115.999 239.594 25.3541 143.638 PRESSAVG: 2223600 -41.3337 0.295217 -10.0226 0.29531 17.2481 -28.8014 -10.0226 -28.8015 16.6023 GPRESSAVG: 2223600 -40.1928 -1.24293 -9.71139 1.82684 17.0319 -27.7156 -12.2172 -28.5894 15.6388 TIMING: 2223600 CPU: 6620.54, 0.00297164/step Wall: 6620.54, 0.00297164/step, 2.29179 hours remaining, 205.289062 MB of memory in use. ENERGY: 2223600 740.4953 2100.8721 1916.2668 108.0771 -206064.3657 17677.2358 0.0000 0.0000 34099.5984 -149421.8202 297.8003 -183521.4186 -149327.0038 298.6708 -65.1940 -31.6752 556936.5718 -2.4944 -2.5074 PRESSURE: 2223800 106.489 79.3647 34.7516 79.3652 93.1706 143.08 34.7525 143.079 120.342 GPRESSURE: 2223800 175.591 102.502 87.0275 60.8074 85.61 63.786 55.8233 188.691 161.846 PRESSAVG: 2223800 63.9237 21.696 -43.1093 21.696 -3.04185 -23.4475 -43.1093 -23.4476 -65.2611 GPRESSAVG: 2223800 61.9779 22.7968 -43.024 20.7605 -1.87384 -22.3727 -42.2927 -24.2198 -64.0644 TIMING: 2223800 CPU: 6621.14, 0.00298643/step Wall: 6621.14, 0.00298643/step, 2.30303 hours remaining, 205.289062 MB of memory in use. ENERGY: 2223800 723.8662 2103.0126 1913.4898 107.7048 -206572.6126 18035.3817 0.0000 0.0000 34116.7246 -149572.4329 297.9498 -183689.1575 -149479.4685 298.3558 106.6675 141.0157 557139.9049 -1.4597 -1.3201 PRESSURE: 2224000 -250.547 -29.9756 -146.777 -29.9762 -216.682 108.501 -146.779 108.502 -86.917 GPRESSURE: 2224000 -207.229 -8.80865 -167.023 -44.4682 -161.911 72.0132 -122.561 38.6563 -81.6592 PRESSAVG: 2224000 69.3178 1.47988 -9.69811 1.4799 -93.9331 -22.6956 -9.69817 -22.6956 -8.38489 GPRESSAVG: 2224000 70.0929 -0.334625 -11.0399 1.84147 -94.4758 -22.0931 -10.767 -24.114 -8.29154 TIMING: 2224000 CPU: 6621.73, 0.00298344/step Wall: 6621.73, 0.00298344/step, 2.30056 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: 2224000 760.2338 2042.6412 1949.3908 113.0952 -206151.7673 17602.0253 0.0000 0.0000 34197.9838 -149486.3971 298.6595 -183684.3809 -149396.2466 298.5928 -184.7155 -150.2665 557119.7256 -11.0001 -10.8915 PRESSURE: 2224200 38.6578 -23.3127 -120.841 -23.3114 -258.13 -116.73 -120.842 -116.729 21.9517 GPRESSURE: 2224200 115 -96.0043 10.7635 62.9264 -235.6 -144.341 -213.039 -87.9784 21.0674 PRESSAVG: 2224200 71.7082 -8.03227 -5.57327 -8.03232 -96.1956 -35.9861 -5.5732 -35.9862 -4.25332 GPRESSAVG: 2224200 71.3613 -7.19013 -5.83259 -6.14994 -96.2789 -35.3212 -4.28726 -34.846 -3.829 TIMING: 2224200 CPU: 6622.33, 0.00298152/step Wall: 6622.33, 0.00298152/step, 2.29892 hours remaining, 205.289062 MB of memory in use. ENERGY: 2224200 716.5722 2099.1531 1919.4496 110.2969 -206260.5129 17827.5726 0.0000 0.0000 34099.1184 -149488.3502 297.7961 -183587.4685 -149400.2612 298.4603 -65.8400 -33.1776 557522.2049 -9.5802 -9.5822 LDB: ============= START OF LOAD BALANCING ============== 6625.76 LDB: ============== END OF LOAD BALANCING =============== 6625.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6625.76 LDB: ============= START OF LOAD BALANCING ============== 6626.06 LDB: Largest compute 4849 load 0.025600 is 21.7% of average load 0.117936 LDB: Average compute 0.001722 is 1.5% of average load 0.117936 LDB: TIME 6626.06 LOAD: AVG 0.117936 MAX 0.199123 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 6626.06 LOAD: AVG 0.117936 MAX 0.199123 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.543 MB LDB: TIME 6626.06 LOAD: AVG 0.117936 MAX 0.199123 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.543 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6626.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6626.07 PRESSURE: 2224400 -76.1632 108.972 -62.8777 108.972 -49.5455 89.7767 -62.8779 89.7775 55.8053 GPRESSURE: 2224400 -48.7875 -35.9125 -160.127 111.335 12.0542 66.4306 -64.2726 133 59.3981 PRESSAVG: 2224400 2.55634 27.2585 8.7716 27.2585 12.3641 55.7476 8.77157 55.7474 10.9257 GPRESSAVG: 2224400 2.72053 27.3222 11.0551 23.8231 12.2086 55.718 8.03287 53.214 10.2839 TIMING: 2224400 CPU: 6622.94, 0.00304977/step Wall: 6622.94, 0.00304977/step, 2.35137 hours remaining, 206.199219 MB of memory in use. ENERGY: 2224400 752.9173 2094.8099 1920.5251 102.0692 -206475.6913 17903.7500 0.0000 0.0000 34191.2162 -149510.4036 298.6004 -183701.6199 -149409.5571 298.5350 -23.3011 7.5549 556818.1078 8.6154 8.4043 PRESSURE: 2224600 150.768 -14.0589 -78.4992 -14.059 -135.881 -129.029 -78.498 -129.03 40.5155 GPRESSURE: 2224600 238.608 -13.9674 -115.735 -37.8848 -140 -162.113 -104.323 -138.746 59.6792 PRESSAVG: 2224600 26.2008 35.2227 18.1178 35.2228 31.2783 -3.80614 18.1178 -3.80611 -49.221 GPRESSAVG: 2224600 26.2562 34.5861 15.413 38.4735 31.827 -6.55306 19.3533 -0.1591 -49.9336 TIMING: 2224600 CPU: 6623.54, 0.0029841/step Wall: 6623.54, 0.0029841/step, 2.30058 hours remaining, 206.199219 MB of memory in use. ENERGY: 2224600 768.8780 2084.9573 1894.1180 111.9609 -206510.6841 17832.3973 0.0000 0.0000 34285.5619 -149532.8107 299.4243 -183818.3726 -149437.3630 298.5330 18.4674 52.7622 555604.4282 2.7527 2.7165 PRESSURE: 2224800 -314.307 109.852 -256.622 109.853 -125.759 130.343 -256.623 130.342 68.225 GPRESSURE: 2224800 -241.54 46.9713 -195.571 78.0667 -114.11 189.792 -262.636 62.2675 69.5937 PRESSAVG: 2224800 34.3209 -58.6787 -48.6823 -58.6786 -61.6329 -26.4338 -48.6822 -26.434 19.4815 GPRESSAVG: 2224800 32.7266 -59.4611 -46.2417 -58.3131 -61.1113 -24.8989 -48.2435 -29.5585 19.8405 TIMING: 2224800 CPU: 6624.13, 0.00296478/step Wall: 6624.13, 0.00296478/step, 2.28552 hours remaining, 206.199219 MB of memory in use. ENERGY: 2224800 767.2806 2078.1295 1933.1949 106.1738 -206059.4841 17591.6461 0.0000 0.0000 34106.6799 -149476.3791 297.8621 -183583.0591 -149386.2377 298.2712 -123.9469 -95.3522 556920.5994 -2.6102 -2.8481 PRESSURE: 2225000 0.511809 166.373 -130.536 166.373 -64.3574 -17.5095 -130.537 -17.5082 102.381 GPRESSURE: 2225000 49.4156 210.867 -217.922 129.35 -4.41974 -103.031 -39.1277 -4.69706 91.088 PRESSAVG: 2225000 5.04299 -8.90603 -9.37554 -8.906 -35.1812 51.3907 -9.37557 51.3907 62.2343 GPRESSAVG: 2225000 6.96932 -7.91393 -12.909 -10.0927 -36.9691 50.1118 -9.57121 54.038 61.707 TIMING: 2225000 CPU: 6624.72, 0.00296732/step Wall: 6624.72, 0.00296732/step, 2.28731 hours remaining, 206.199219 MB of memory in use. ENERGY: 2225000 741.8817 2107.1549 1936.1340 100.2468 -206203.9839 17844.7105 0.0000 0.0000 34144.4868 -149329.3692 298.1923 -183473.8560 -149229.9040 298.2502 12.8451 45.3613 556488.2176 10.6987 10.5691 PRESSURE: 2225200 58.7683 -16.6135 -121.119 -16.6129 -191.319 79.3397 -121.119 79.3386 -69.854 GPRESSURE: 2225200 60.861 -10.2967 -127.6 -80.832 -141.806 -19.4303 -139.191 42.0187 -37.6505 PRESSAVG: 2225200 -47.3293 24.1745 -36.729 24.1745 1.16451 -61.2651 -36.729 -61.265 25.9185 GPRESSAVG: 2225200 -48.4356 22.2334 -34.5309 24.4735 2.47612 -61.3256 -37.0846 -62.4666 24.8391 TIMING: 2225200 CPU: 6625.32, 0.00297467/step Wall: 6625.32, 0.00297467/step, 2.29281 hours remaining, 206.199219 MB of memory in use. ENERGY: 2225200 725.8731 2075.7061 1954.9603 104.6668 -206309.2844 17921.9722 0.0000 0.0000 34135.5396 -149390.5663 298.1142 -183526.1059 -149292.0938 299.0043 -67.4683 -39.5320 559627.2597 -6.7488 -7.0401 PRESSURE: 2225400 -24.9068 199.299 71.724 199.297 239.384 -19.128 71.7247 -19.1267 89.7094 GPRESSURE: 2225400 -0.249138 147.926 -12.8715 159.681 225.845 -11.6012 102.227 -12.4886 182.54 PRESSAVG: 2225400 -0.537363 19.5653 87.6983 19.5653 -21.302 -1.0589 87.6983 -1.0589 18.2011 GPRESSAVG: 2225400 -1.74436 20.571 86.6832 18.6822 -23.0061 -1.00517 87.0024 0.660855 21.3926 TIMING: 2225400 CPU: 6625.92, 0.00298024/step Wall: 6625.92, 0.00298024/step, 2.29693 hours remaining, 206.199219 MB of memory in use. ENERGY: 2225400 743.9709 2102.7638 1953.1908 113.7512 -206662.0158 17990.3862 0.0000 0.0000 34469.7269 -149288.2260 301.0327 -183757.9529 -149190.0898 298.6317 101.3955 136.0455 557808.9012 -1.2128 -1.1193 PRESSURE: 2225600 135.831 164.897 -134.011 164.897 162.374 -37.826 -134.011 -37.8287 96.8054 GPRESSURE: 2225600 200.641 147.649 -114.13 49.739 205.264 -21.9011 -42.0057 -88.8878 89.5913 PRESSAVG: 2225600 52.7207 19.6606 50.675 19.6606 -69.8836 -3.34162 50.675 -3.34167 11.3389 GPRESSAVG: 2225600 55.245 19.8008 50.725 19.7006 -69.8759 -2.16143 49.4074 -5.56886 8.52183 TIMING: 2225600 CPU: 6626.51, 0.00298316/step Wall: 6626.51, 0.00298316/step, 2.29902 hours remaining, 206.199219 MB of memory in use. ENERGY: 2225600 741.2203 2115.8223 1937.7313 110.3106 -206287.5638 18093.5096 0.0000 0.0000 34007.2888 -149281.6808 296.9941 -183288.9696 -149191.0296 298.6190 131.6703 165.1654 559174.9127 -1.9413 -2.0363 PRESSURE: 2225800 -204.955 -92.7359 -173.2 -92.7365 95.7399 31.4885 -173.199 31.4901 -42.2636 GPRESSURE: 2225800 -188.743 -106.784 -126.45 -35.2735 170.909 72.9184 -198.03 32.8541 -37.0116 PRESSAVG: 2225800 -34.3565 26.2382 55.535 26.2382 -5.30829 -0.914233 55.535 -0.914352 26.4903 GPRESSAVG: 2225800 -36.4967 26.1106 57.3626 27.7644 -4.03511 0.602457 57.1007 0.0635525 27.1593 TIMING: 2225800 CPU: 6627.11, 0.00298504/step Wall: 6627.11, 0.00298504/step, 2.30031 hours remaining, 206.199219 MB of memory in use. ENERGY: 2225800 726.1224 2099.1441 1952.6128 124.3775 -206038.9560 17706.5357 0.0000 0.0000 34069.2986 -149360.8649 297.5357 -183430.1636 -149267.3671 298.1852 -50.4929 -18.2819 557916.5975 -4.3915 -4.4575 PRESSURE: 2226000 -113.326 -23.0048 -163.376 -23.0049 123.707 -197.702 -163.375 -197.7 1.80683 GPRESSURE: 2226000 -81.0524 -68.7963 -92.0198 69.119 151.547 -177.125 -138.202 -73.7482 36.7027 PRESSAVG: 2226000 5.1015 -24.9905 13.6113 -24.9905 -7.12963 -8.82591 13.6114 -8.82586 -17.1755 GPRESSAVG: 2226000 6.03565 -24.6355 10.309 -25.9623 -7.72603 -9.83945 15.6901 -7.8087 -17.4146 TIMING: 2226000 CPU: 6627.71, 0.00299601/step Wall: 6627.71, 0.00299601/step, 2.30859 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: 2226000 720.5446 2158.4006 1936.2388 124.1638 -206045.5722 17672.1384 0.0000 0.0000 34021.2423 -149412.8438 297.1160 -183434.0861 -149321.0379 298.7575 4.0627 35.7325 557371.2711 -6.4012 -6.3683 PRESSURE: 2226200 66.15 -151.025 76.8272 -151.024 12.7821 -70.0867 76.827 -70.0865 129.812 GPRESSURE: 2226200 140.269 -198.234 106.571 -138.519 33.3148 -67.1294 86.0483 -36.9989 121.889 PRESSAVG: 2226200 54.5982 16.8156 4.95171 16.8155 -48.2053 -58.2598 4.95167 -58.2597 11.0127 GPRESSAVG: 2226200 54.0311 17.6587 7.25328 15.854 -48.1702 -58.6921 2.70036 -59.396 11.1051 TIMING: 2226200 CPU: 6628.31, 0.0029927/step Wall: 6628.31, 0.0029927/step, 2.30588 hours remaining, 206.199219 MB of memory in use. ENERGY: 2226200 724.4264 2049.0882 1975.8739 112.7582 -206794.3204 18165.7911 0.0000 0.0000 34292.5034 -149473.8791 299.4850 -183766.3825 -149373.5211 298.5345 69.5814 98.4910 557700.4426 5.8018 5.6553 PRESSURE: 2226400 56.8341 6.29454 301.882 6.29426 -28.5136 -277.069 301.882 -277.068 54.8459 GPRESSURE: 2226400 114.258 -72.2886 360.544 29.4342 16.1941 -288.175 279.678 -217.175 51.3829 PRESSAVG: 2226400 -32.7284 -4.53999 4.62305 -4.53997 10.3198 -83.3179 4.62294 -83.3179 45.0787 GPRESSAVG: 2226400 -32.9298 -3.90129 4.86568 -5.3506 9.78032 -81.1448 4.05987 -84.8816 45.7544 TIMING: 2226400 CPU: 6628.9, 0.00298193/step Wall: 6628.9, 0.00298193/step, 2.29741 hours remaining, 206.199219 MB of memory in use. ENERGY: 2226400 724.4455 2133.8068 1944.3925 106.4709 -206433.4729 18059.4042 0.0000 0.0000 34024.3245 -149440.6286 297.1429 -183464.9531 -149337.3549 297.7916 27.7221 60.6117 557889.6327 7.5567 7.5350 PRESSURE: 2226600 246.256 -199.131 64.0066 -199.131 80.8016 -166.686 64.0063 -166.687 81.9355 GPRESSURE: 2226600 312.464 -182.351 30.2536 -188.733 118.292 -151.525 76.951 -137.187 67.6393 PRESSAVG: 2226600 -18.4822 -11.2815 5.92858 -11.2815 33.8874 -58.8629 5.92854 -58.8629 9.40318 GPRESSAVG: 2226600 -17.4759 -11.4671 5.29045 -10.1032 33.4591 -61.1831 8.6549 -56.419 9.37973 TIMING: 2226600 CPU: 6629.5, 0.00299688/step Wall: 6629.5, 0.00299688/step, 2.30876 hours remaining, 206.199219 MB of memory in use. ENERGY: 2226600 745.0378 2137.1147 1944.3807 116.3492 -206352.3727 18004.2261 0.0000 0.0000 33967.7914 -149437.4728 296.6492 -183405.2642 -149339.6791 298.4444 136.3311 166.1315 557197.1385 8.2695 8.4543 PRESSURE: 2226800 14.0149 -88.6043 95.1173 -88.6054 -29.1515 149.044 95.1183 149.044 -204.988 GPRESSURE: 2226800 26.7811 -76.1808 2.84384 -101.157 51.4329 137.626 135.725 235.898 -195.959 PRESSAVG: 2226800 -10.1253 -17.6912 46.5005 -17.6911 -1.89943 31.966 46.5006 31.966 50.7583 GPRESSAVG: 2226800 -9.97174 -18.1987 45.7421 -18.1979 -1.09776 31.7095 45.8586 31.8209 50.3865 TIMING: 2226800 CPU: 6630.1, 0.00298038/step Wall: 6630.1, 0.00298038/step, 2.29589 hours remaining, 206.199219 MB of memory in use. ENERGY: 2226800 772.5619 2055.8930 1952.1964 114.9686 -206782.1467 17989.4661 0.0000 0.0000 34233.4325 -149663.6283 298.9691 -183897.0607 -149563.8782 298.2648 -73.3750 -39.2484 557381.7473 12.9112 13.1057 PRESSURE: 2227000 -190.048 0.308539 -163.996 0.307046 -80.8389 -15.5743 -163.995 -15.5759 -205.763 GPRESSURE: 2227000 -164.033 -5.30327 -163.201 26.7113 -86.4861 -86.2416 -132.512 9.99993 -126.603 PRESSAVG: 2227000 -76.0956 14.6591 3.2156 14.659 23.8359 10.8919 3.21567 10.8919 35.9855 GPRESSAVG: 2227000 -76.7435 13.4895 3.04041 16.9484 24.7355 10.7488 1.58089 9.48431 36.2383 TIMING: 2227000 CPU: 6630.69, 0.0029831/step Wall: 6630.69, 0.0029831/step, 2.29781 hours remaining, 206.199219 MB of memory in use. ENERGY: 2227000 745.3252 2061.7234 1945.2445 120.5208 -206480.6123 17879.1812 0.0000 0.0000 33973.1500 -149755.4671 296.6960 -183728.6171 -149661.9364 297.7841 -158.8833 -125.7072 559143.8491 -5.4248 -5.2565 PRESSURE: 2227200 -114.941 182.466 2.58803 182.465 167.577 90.5039 2.58838 90.5061 -217.942 GPRESSURE: 2227200 -75.7752 135.049 53.2042 164.52 162.874 -9.01098 -31.6675 98.0019 -147.086 PRESSAVG: 2227200 -26.0677 16.316 4.6863 16.3161 16.2122 10.5696 4.6864 10.5695 24.1481 GPRESSAVG: 2227200 -25.1191 18.5278 4.20883 13.4492 16.0481 11.2919 6.64877 11.0836 23.6796 TIMING: 2227200 CPU: 6631.3, 0.00300621/step Wall: 6631.3, 0.00300621/step, 2.31545 hours remaining, 206.199219 MB of memory in use. ENERGY: 2227200 761.4713 2071.7767 1967.2594 104.4362 -206739.8856 17850.0791 0.0000 0.0000 34123.7920 -149861.0709 298.0116 -183984.8629 -149770.3104 297.7105 -55.1018 -19.9956 557271.6170 4.7642 4.8695 PRESSURE: 2227400 13.3793 -89.9347 -16.5181 -89.9337 -10.1341 -100.336 -16.5154 -100.336 -96.2329 GPRESSURE: 2227400 38.3927 -55.9622 -7.82538 -151.739 -17.4947 -90.5517 -74.0389 -74.3732 -23.7176 PRESSAVG: 2227400 -70.0135 53.315 -15.7819 53.315 42.7956 18.6837 -15.7819 18.6836 33.2558 GPRESSAVG: 2227400 -71.208 53.7683 -14.8408 53.1514 42.839 17.4143 -15.4082 18.1011 34.4458 TIMING: 2227400 CPU: 6631.9, 0.00299811/step Wall: 6631.9, 0.00299811/step, 2.30904 hours remaining, 206.199219 MB of memory in use. ENERGY: 2227400 729.6829 2089.4189 1966.6643 115.5869 -206667.5696 17854.1380 0.0000 0.0000 34064.9884 -149847.0903 297.4980 -183912.0787 -149748.9632 298.0264 -30.9959 -0.9399 556725.1476 2.0126 2.0256 PRESSURE: 2227600 73.7971 -61.5995 -31.6714 -61.5998 -8.79337 -2.79938 -31.6717 -2.7993 79.8552 GPRESSURE: 2227600 158.922 -29.8588 25.874 -27.0402 7.8726 -84.3331 -9.53239 -2.26376 60.4524 PRESSAVG: 2227600 18.1829 28.7334 -20.4835 28.7335 -25.8431 3.0941 -20.4835 3.0941 -2.2574 GPRESSAVG: 2227600 18.6045 27.6314 -17.5113 30.0778 -26.0373 2.12107 -20.9285 5.06744 -3.14382 TIMING: 2227600 CPU: 6632.49, 0.00297802/step Wall: 6632.49, 0.00297802/step, 2.2934 hours remaining, 206.199219 MB of memory in use. ENERGY: 2227600 728.8587 2098.6929 1945.7785 102.5075 -206524.6393 18061.0484 0.0000 0.0000 33953.8752 -149633.8782 296.5276 -183587.7533 -149543.7750 297.9820 48.2863 75.7489 558571.8668 -3.3058 -3.5255 PRESSURE: 2227800 -218.354 5.76923 134.147 5.769 -268.557 -5.61493 134.148 -5.6144 32.8046 GPRESSURE: 2227800 -210.991 -8.9826 224.581 -23.2926 -197.657 -31.1258 37.7558 -1.7774 48.8216 PRESSAVG: 2227800 -37.0171 19.9143 60.2948 19.9143 -5.47345 -12.489 60.2948 -12.4889 34.0888 GPRESSAVG: 2227800 -36.27 17.9747 57.4616 23.502 -5.56842 -12.2643 61.3774 -13.9258 33.5327 TIMING: 2227800 CPU: 6633.09, 0.00297959/step Wall: 6633.09, 0.00297959/step, 2.29445 hours remaining, 206.199219 MB of memory in use. ENERGY: 2227800 767.7037 2037.7235 1928.6325 105.9390 -206285.1941 17766.6588 0.0000 0.0000 34052.2968 -149626.2398 297.3872 -183678.5366 -149524.0976 297.2805 -151.3689 -119.9422 559081.3355 -2.8006 -2.7686 PRESSURE: 2228000 -255.361 -72.5265 16.6484 -72.5262 53.5691 -20.3435 16.6483 -20.3445 -72.0435 GPRESSURE: 2228000 -185.733 -69.1161 -31.3596 -52.8945 12.4526 38.024 10.5273 -41.028 -7.78755 PRESSAVG: 2228000 -22.6252 -53.1258 -14.1028 -53.1258 56.0984 -79.8871 -14.1029 -79.8872 12.8434 GPRESSAVG: 2228000 -22.6164 -52.0289 -13.9477 -55.1786 55.0892 -79.5817 -15.5148 -79.6889 14.1027 TIMING: 2228000 CPU: 6633.69, 0.00299319/step Wall: 6633.69, 0.00299319/step, 2.30476 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: 2228000 757.6810 2054.9875 1961.7951 110.5223 -206685.8077 18007.8829 0.0000 0.0000 34228.6855 -149564.2535 298.9276 -183792.9389 -149471.4927 298.3205 -91.2785 -60.3559 558116.9219 15.4389 15.5252 PRESSURE: 2228200 135.112 -138.533 2.50637 -138.534 52.7582 -75.0061 2.50644 -75.0054 16.6105 GPRESSURE: 2228200 121.518 -176.848 99.8194 -150.268 126.752 -59.4248 -8.90735 -135.97 57.6258 PRESSAVG: 2228200 -7.25857 -64.1421 27.6463 -64.1421 -37.369 -70.7102 27.6463 -70.7101 52.0047 GPRESSAVG: 2228200 -8.49121 -61.6353 27.9486 -65.9247 -35.9968 -69.9545 28.9801 -72.9575 51.4976 TIMING: 2228200 CPU: 6634.28, 0.00298563/step Wall: 6634.28, 0.00298563/step, 2.29877 hours remaining, 206.199219 MB of memory in use. ENERGY: 2228200 724.9968 2084.2602 1916.3871 100.3612 -206706.9326 18012.0627 0.0000 0.0000 33909.1189 -149959.7457 296.1368 -183868.8646 -149866.5206 297.3678 68.1603 101.9654 558278.8391 2.4590 2.3365 LDB: ============= START OF LOAD BALANCING ============== 6637.71 LDB: ============== END OF LOAD BALANCING =============== 6637.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6637.72 LDB: ============= START OF LOAD BALANCING ============== 6638.01 LDB: Largest compute 4849 load 0.024043 is 20.4% of average load 0.117992 LDB: Average compute 0.001715 is 1.5% of average load 0.117992 LDB: TIME 6638.02 LOAD: AVG 0.117992 MAX 0.198182 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 6638.02 LOAD: AVG 0.117992 MAX 0.198182 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.488 MB LDB: TIME 6638.02 LOAD: AVG 0.117992 MAX 0.198182 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6638.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6638.02 PRESSURE: 2228400 30.9745 -78.3306 -23.7573 -78.3304 141.103 58.8142 -23.7575 58.8128 4.28257 GPRESSURE: 2228400 136.834 -121.237 14.359 -49.2112 115.145 2.79488 23.966 71.0702 17.506 PRESSAVG: 2228400 20.2382 -34.4502 -0.0414116 -34.4502 -41.2301 -9.52411 -0.0413994 -9.5241 -12.7996 GPRESSAVG: 2228400 21.7456 -36.4916 0.544897 -32.4886 -41.2588 -8.95885 -0.861313 -8.91031 -13.7812 TIMING: 2228400 CPU: 6634.89, 0.00304665/step Wall: 6634.89, 0.00304665/step, 2.34558 hours remaining, 207.218750 MB of memory in use. ENERGY: 2228400 748.1718 2096.6275 1936.9476 105.4349 -207215.3143 18267.7042 0.0000 0.0000 34145.8728 -149914.5555 298.2044 -184060.4283 -149818.2507 296.5642 58.7866 89.8286 557696.3586 -11.2638 -11.0981 PRESSURE: 2228600 130.52 12.94 -118.877 12.9404 42.8846 -11.5491 -118.877 -11.547 -86.3668 GPRESSURE: 2228600 137.359 78.587 -178.76 36.1809 81.0296 -22.7256 -108.819 -62.7018 -39.8936 PRESSAVG: 2228600 19.5518 -3.51414 -32.2634 -3.5142 28.3639 -14.4466 -32.2634 -14.4465 -47.6825 GPRESSAVG: 2228600 18.8234 -3.20425 -32.8037 -4.98141 26.7564 -13.4954 -31.7736 -16.3521 -45.0228 TIMING: 2228600 CPU: 6635.49, 0.00298093/step Wall: 6635.49, 0.00298092/step, 2.29482 hours remaining, 207.421875 MB of memory in use. ENERGY: 2228600 718.0512 2127.9504 1901.5660 103.0440 -207006.7589 18077.5205 0.0000 0.0000 34168.8823 -149909.7445 298.4053 -184078.6269 -149811.7613 297.0502 29.0127 59.4984 557839.1259 0.0777 0.1857 PRESSURE: 2228800 -186.687 125.878 264.293 125.878 -56.2905 -198.621 264.291 -198.621 -207.453 GPRESSURE: 2228800 -129.017 130.878 236.761 77.4686 -62.906 -138.901 194.375 -229.161 -177.144 PRESSAVG: 2228800 -73.242 4.39732 18.8702 4.39732 -6.0106 -95.4657 18.8702 -95.4658 28.6523 GPRESSAVG: 2228800 -72.7057 5.173 19.9501 6.27651 -6.63561 -96.1306 19.7569 -92.1888 28.194 TIMING: 2228800 CPU: 6636.09, 0.00298688/step Wall: 6636.09, 0.00298688/step, 2.29924 hours remaining, 207.421875 MB of memory in use. ENERGY: 2228800 743.5916 2085.7278 1943.6867 113.8004 -206719.3660 17805.5040 0.0000 0.0000 34128.6810 -149898.3747 298.0543 -184027.0556 -149802.5381 297.6033 -150.1435 -123.0223 557378.4796 -16.8667 -17.0491 PRESSURE: 2229000 -124.985 -188.997 -8.74133 -188.996 -156.306 91.1328 -8.74176 91.1313 134.612 GPRESSURE: 2229000 -113.496 -98.6615 -20.6221 -177.857 -93.027 91.2594 -89.0648 146.909 151.906 PRESSAVG: 2229000 -47.3321 31.5767 -56.8124 31.5767 8.58274 -16.9416 -56.8124 -16.9414 69.4107 GPRESSAVG: 2229000 -47.6601 31.791 -56.3793 30.573 9.73165 -17.3425 -58.2836 -19.5091 68.6055 TIMING: 2229000 CPU: 6636.69, 0.00299849/step Wall: 6636.69, 0.00299849/step, 2.30801 hours remaining, 207.421875 MB of memory in use. ENERGY: 2229000 800.2022 2088.3303 1929.1933 104.0157 -206413.5208 17781.9581 0.0000 0.0000 33860.8331 -149848.9880 295.7151 -183709.8212 -149759.8724 297.3782 -48.8928 -18.2056 556829.8669 10.2204 10.2257 PRESSURE: 2229200 -244.957 52.4007 34.9943 52.4018 28.7064 155.554 34.9942 155.553 92.5172 GPRESSURE: 2229200 -183.151 109.573 -16.6692 54.4512 86.9869 207.942 64.3801 78.6772 70.3308 PRESSAVG: 2229200 -84.5642 62.2267 -10.3596 62.2268 47.9193 -8.69953 -10.3596 -8.69949 22.7988 GPRESSAVG: 2229200 -83.7502 61.2249 -10.3385 62.9377 47.7313 -8.4883 -11.4304 -8.38375 21.4898 TIMING: 2229200 CPU: 6637.28, 0.00298954/step Wall: 6637.28, 0.00298954/step, 2.30095 hours remaining, 207.421875 MB of memory in use. ENERGY: 2229200 772.7286 2063.8869 1916.1663 111.8567 -206469.3119 18008.0174 0.0000 0.0000 33895.3226 -149701.3334 296.0163 -183596.6560 -149606.9145 297.9407 -41.2443 -8.6109 557821.4418 -4.6154 -4.8430 PRESSURE: 2229400 -21.1534 22.4462 -114.901 22.4461 165.741 55.0892 -114.9 55.0886 -252.187 GPRESSURE: 2229400 15.2241 -81.1122 -103.557 94.9599 197.729 73.3277 -134.379 19.3741 -229.502 PRESSAVG: 2229400 -38.0433 26.4279 -14.2946 26.4279 68.6787 12.287 -14.2946 12.2871 -8.25101 GPRESSAVG: 2229400 -39.1594 25.8977 -13.5474 26.0822 69.2493 10.0197 -13.515 13.2793 -8.30894 TIMING: 2229400 CPU: 6637.88, 0.00299394/step Wall: 6637.88, 0.00299394/step, 2.30417 hours remaining, 207.421875 MB of memory in use. ENERGY: 2229400 763.8233 2010.8553 1930.9855 123.9233 -206402.9825 17942.7769 0.0000 0.0000 34116.3361 -149514.2821 297.9464 -183630.6182 -149418.0647 298.4417 -35.8666 -5.5165 556026.3387 7.4615 7.2603 PRESSURE: 2229600 204.943 164.927 9.81592 164.927 94.883 10.8996 9.81477 10.9 142.004 GPRESSURE: 2229600 197.448 161.076 149.59 151.217 177.727 -69.7972 -82.3976 8.97485 159.741 PRESSAVG: 2229600 -47.4453 14.3942 -26.6142 14.3941 76.9235 -26.3839 -26.6141 -26.3838 -52.2834 GPRESSAVG: 2229600 -47.797 15.0654 -27.2305 14.1872 77.8118 -23.7955 -27.3873 -29.7039 -52.6198 TIMING: 2229600 CPU: 6638.48, 0.00298889/step Wall: 6638.48, 0.00298889/step, 2.30012 hours remaining, 207.421875 MB of memory in use. ENERGY: 2229600 764.8465 2048.2388 1926.1229 125.6517 -206774.6928 18199.1732 0.0000 0.0000 34322.6132 -149388.0465 299.7479 -183710.6597 -149294.5149 299.4254 147.2764 178.3054 557199.1769 -7.6017 -7.5350 PRESSURE: 2229800 -360.811 17.2864 123.845 17.2844 -299.941 -169.897 123.844 -169.897 -93.7039 GPRESSURE: 2229800 -279.721 118.112 140.157 -50.1897 -266.189 -183.596 159.147 -122.431 -123.881 PRESSAVG: 2229800 -34.1072 -43.7958 -7.28398 -43.796 46.1148 -39.0606 -7.28392 -39.0606 -39.5174 GPRESSAVG: 2229800 -34.3699 -42.8793 -5.86754 -42.5596 45.6266 -41.0834 -5.36521 -35.4456 -39.5541 TIMING: 2229800 CPU: 6639.07, 0.00296217/step Wall: 6639.07, 0.00296217/step, 2.27939 hours remaining, 207.421875 MB of memory in use. ENERGY: 2229800 757.6274 2115.5321 1926.9836 123.3009 -206081.8028 17605.4046 0.0000 0.0000 34155.0738 -149397.8804 298.2848 -183552.9541 -149295.9742 299.1065 -251.4853 -223.2638 558486.2992 -9.1699 -9.4325 PRESSURE: 2230000 -180.205 73.3263 -44.659 73.3265 -315.323 -92.435 -44.6585 -92.4324 -233.456 GPRESSURE: 2230000 -167.154 -33.6693 -43.5405 120.491 -328.601 -101.557 -109.389 -91.0499 -149.571 PRESSAVG: 2230000 -34.7102 -26.452 -23.6403 -26.452 38.6423 -20.6452 -23.6402 -20.6452 11.6009 GPRESSAVG: 2230000 -35.4777 -26.0443 -24.0399 -27.269 37.5252 -19.6496 -26.4323 -22.7475 12.9815 TIMING: 2230000 CPU: 6639.67, 0.00298478/step Wall: 6639.67, 0.00298478/step, 2.29663 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: 2230000 750.3724 2083.6948 1904.9921 115.0610 -206057.1737 17555.2227 0.0000 0.0000 34442.9546 -149204.8762 300.7989 -183647.8307 -149100.5266 299.4026 -242.9947 -215.1086 559538.4837 5.1777 5.0096 PRESSURE: 2230200 182.873 -98.3436 -107.309 -98.344 -240.225 -77.3279 -107.308 -77.3288 -43.3732 GPRESSURE: 2230200 198.545 -19.9639 -80.9167 -124.901 -196.731 -83.0676 -60.7571 -66.0451 9.15045 PRESSAVG: 2230200 -42.4261 -1.64747 6.7029 -1.64741 46.1221 31.8657 6.70292 31.8656 -0.665008 GPRESSAVG: 2230200 -41.0019 -2.10075 5.92459 -0.0772063 45.8138 32.4798 6.96874 31.9204 -1.83236 TIMING: 2230200 CPU: 6640.26, 0.00297106/step Wall: 6640.26, 0.00297106/step, 2.2859 hours remaining, 207.421875 MB of memory in use. ENERGY: 2230200 737.4151 2079.5168 1948.3490 117.5288 -206326.9930 17947.4579 0.0000 0.0000 34321.7552 -149174.9703 299.7404 -183496.7255 -149083.4694 299.5742 -33.5751 3.6547 558326.3519 1.0103 0.9932 PRESSURE: 2230400 86.5624 -74.132 -156.192 -74.1325 173.191 -121.495 -156.192 -121.492 -51.4596 GPRESSURE: 2230400 100.288 -17.0491 -101.071 -28.3602 270.845 -150.629 -183.148 -64.9116 -65.5551 PRESSAVG: 2230400 7.21013 88.7069 26.1113 88.7069 54.8613 -2.57561 26.1114 -2.57554 -71.599 GPRESSAVG: 2230400 7.98228 88.5433 26.1774 89.0951 54.5224 -3.3006 27.043 -1.84422 -71.2028 TIMING: 2230400 CPU: 6640.86, 0.00299023/step Wall: 6640.86, 0.00299023/step, 2.30049 hours remaining, 207.421875 MB of memory in use. ENERGY: 2230400 709.8671 2089.8146 1970.5669 117.7780 -206056.9012 17746.5397 0.0000 0.0000 34291.8755 -149130.4595 299.4795 -183422.3350 -149035.5330 300.1187 69.4313 101.8594 556384.0825 -3.1759 -2.8994 PRESSURE: 2230600 -130.514 94.5049 -14.3157 94.5047 2.61224 -243.499 -14.3153 -243.497 201.373 GPRESSURE: 2230600 -50.037 74.6244 -77.9562 138.229 -15.5674 -250.577 6.38679 -186.402 243.886 PRESSAVG: 2230600 -50.7281 -21.6858 -28.562 -21.6859 23.3516 -20.9909 -28.562 -20.9908 7.69254 GPRESSAVG: 2230600 -51.3175 -21.3607 -29.4562 -22.9356 23.1563 -21.9755 -27.7134 -20.9504 8.30849 TIMING: 2230600 CPU: 6641.46, 0.00298848/step Wall: 6641.46, 0.00298848/step, 2.29897 hours remaining, 207.421875 MB of memory in use. ENERGY: 2230600 726.3720 2087.4281 1960.7646 122.6903 -206151.5413 17683.7525 0.0000 0.0000 34469.6503 -149100.8835 301.0320 -183570.5339 -149005.8168 299.9269 24.4904 59.4274 555876.1050 -6.5613 -6.6176 PRESSURE: 2230800 59.7262 36.4817 -5.28 36.4822 90.2953 66.0229 -5.28107 66.0236 28.7003 GPRESSURE: 2230800 133.396 37.802 69.2534 -52.2408 101.843 11.6021 -10.0744 148.159 34.4714 PRESSAVG: 2230800 -73.5699 -59.6945 -29.248 -59.6945 64.2817 7.51498 -29.248 7.51496 34.7968 GPRESSAVG: 2230800 -72.0973 -61.8585 -28.0392 -60.0254 62.7775 8.01965 -28.7934 7.52576 34.4853 TIMING: 2230800 CPU: 6642.06, 0.00298492/step Wall: 6642.06, 0.00298492/step, 2.29607 hours remaining, 207.421875 MB of memory in use. ENERGY: 2230800 724.8573 2136.0941 1952.5541 104.4829 -206346.8406 17971.4359 0.0000 0.0000 34499.7036 -148957.7126 301.2945 -183457.4162 -148864.1794 300.3841 59.5739 89.9033 557311.5130 8.5029 8.3885 PRESSURE: 2231000 241.054 71.0049 44.0039 71.0056 34.6138 -198.485 44.003 -198.485 358.146 GPRESSURE: 2231000 273.366 57.2875 86.0759 33.3588 126.018 -158.822 26.3911 -252.801 332.318 PRESSAVG: 2231000 -19.7119 -2.98907 -5.12099 -2.9891 -40.3263 64.8224 -5.12104 64.8223 31.5183 GPRESSAVG: 2231000 -22.0732 -1.32125 -5.14809 -2.84999 -37.8312 63.6538 -5.55386 63.9971 31.0342 TIMING: 2231000 CPU: 6642.65, 0.00298177/step Wall: 6642.65, 0.00298177/step, 2.29348 hours remaining, 207.421875 MB of memory in use. ENERGY: 2231000 706.1871 2090.2973 1940.1731 110.9499 -206215.0799 18226.7780 0.0000 0.0000 34328.8075 -148811.8869 299.8020 -183140.6945 -148716.5604 300.5934 211.2712 243.9006 558057.1907 -9.5067 -9.6234 PRESSURE: 2231200 218.833 -30.3407 47.1307 -30.3401 -14.4704 193.111 47.13 193.111 347.631 GPRESSURE: 2231200 214.953 -39.2614 64.7885 -65.064 60.7172 195.983 54.1882 258.956 376.826 PRESSAVG: 2231200 -7.62095 42.3516 3.8698 42.3517 -46.0452 -8.18865 3.86973 -8.18873 59.2332 GPRESSAVG: 2231200 -7.08109 44.4514 4.68682 39.5353 -46.4097 -7.38678 4.57427 -6.62374 59.0516 TIMING: 2231200 CPU: 6643.25, 0.00300068/step Wall: 6643.25, 0.00300068/step, 2.30786 hours remaining, 207.421875 MB of memory in use. ENERGY: 2231200 740.8472 2084.8287 1946.8153 118.7562 -206158.9534 18037.4351 0.0000 0.0000 34557.8408 -148672.4301 301.8022 -183230.2709 -148574.2304 301.4162 183.9977 217.4990 557377.9389 1.8557 1.8536 PRESSURE: 2231400 136.583 139.281 368.665 139.281 -16.2246 -10.7182 368.665 -10.7171 120.029 GPRESSURE: 2231400 210.343 147.136 383.716 142.242 -21.7472 3.88216 309.904 3.25827 156.153 PRESSAVG: 2231400 21.4537 12.6019 -6.58214 12.602 -60.4247 0.767453 -6.58219 0.767558 37.5539 GPRESSAVG: 2231400 21.8232 8.95843 -9.65802 16.0657 -60.88 1.26567 -6.45905 1.54869 37.4778 TIMING: 2231400 CPU: 6643.85, 0.0030011/step Wall: 6643.85, 0.0030011/step, 2.30801 hours remaining, 207.421875 MB of memory in use. ENERGY: 2231400 736.2189 2136.0564 1953.9748 110.2802 -205677.4134 17795.9823 0.0000 0.0000 34208.2397 -148736.6611 298.7491 -182944.9008 -148648.5918 301.0415 80.1292 114.9164 556681.5251 -0.4724 -0.5263 PRESSURE: 2231600 -98.2732 78.9895 17.5312 78.9901 -136.408 -75.6719 17.5306 -75.6722 213.81 GPRESSURE: 2231600 -70.9068 117.029 -46.7899 -43.2844 -101.808 -13.9177 5.64535 -93.5433 243.281 PRESSAVG: 2231600 -8.56549 45.8503 44.759 45.8503 34.4024 28.4011 44.7589 28.4012 -26.0129 GPRESSAVG: 2231600 -8.57746 48.0908 47.7222 43.4237 34.0631 29.2027 44.3077 26.2975 -26.1551 TIMING: 2231600 CPU: 6644.45, 0.00299834/step Wall: 6644.45, 0.00299834/step, 2.30572 hours remaining, 207.421875 MB of memory in use. ENERGY: 2231600 725.3596 2064.9052 1984.8694 114.2496 -205954.5724 17641.9262 0.0000 0.0000 34651.6564 -148771.6060 302.6215 -183423.2625 -148670.8774 300.7730 -6.9571 23.5221 557569.2138 -0.0587 -0.2232 PRESSURE: 2231800 -57.5486 -29.7581 23.3761 -29.7584 220.002 -36.502 23.3771 -36.5005 -37.5197 GPRESSURE: 2231800 -52.1337 12.3115 70.9425 -90.3799 249.984 -14.3107 -32.3161 -115.307 21.069 PRESSAVG: 2231800 -1.04555 -7.12066 22.547 -7.12063 29.614 -30.7927 22.547 -30.7928 -91.0711 GPRESSAVG: 2231800 -1.42376 -8.7366 21.3296 -5.56825 29.8332 -32.6151 20.909 -29.5571 -90.9014 TIMING: 2231800 CPU: 6645.05, 0.00300505/step Wall: 6645.05, 0.00300505/step, 2.31071 hours remaining, 207.421875 MB of memory in use. ENERGY: 2231800 731.4739 2010.7888 1927.5456 102.2695 -205830.1950 17786.4573 0.0000 0.0000 34476.4903 -148795.1697 301.0918 -183271.6600 -148696.2711 300.4754 41.6447 72.9731 557762.9988 -20.8342 -20.8307 PRESSURE: 2232000 26.004 115.726 -49.492 115.727 193.158 -142.028 -49.492 -142.028 -282.006 GPRESSURE: 2232000 30.9215 166.804 -36.5616 43.5764 290.382 -201.27 -92.8743 -81.8605 -296.875 PRESSAVG: 2232000 46.3945 1.47943 -43.7663 1.47946 24.6847 -29.45 -43.7663 -29.45 -81.0525 GPRESSAVG: 2232000 46.1635 2.90346 -44.8853 -0.756346 25.0647 -30.3977 -41.5125 -28.1505 -80.292 TIMING: 2232000 CPU: 6645.65, 0.00299652/step Wall: 6645.65, 0.00299652/step, 2.30399 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: 2232000 759.1726 2072.1644 1954.6021 118.4111 -205840.0927 17813.4129 0.0000 0.0000 34302.5947 -148819.7351 299.5731 -183122.3298 -148735.2506 300.3911 -20.9480 8.1426 558712.2223 -3.3244 -3.0213 PRESSURE: 2232200 106.143 129.96 -52.5087 129.961 -265.833 -2.39194 -52.5087 -2.39099 73.828 GPRESSURE: 2232200 133.594 170.113 -20.1755 -15.7658 -237.13 20.9823 -84.4206 44.5931 112.686 PRESSAVG: 2232200 48.7425 37.5233 -15.7452 37.5233 -42.0891 -0.706256 -15.7452 -0.706241 2.05053 GPRESSAVG: 2232200 48.9337 37.7593 -14.6355 39.4154 -41.7989 2.48026 -14.8269 -3.20005 1.49656 TIMING: 2232200 CPU: 6646.25, 0.00299433/step Wall: 6646.25, 0.00299433/step, 2.30214 hours remaining, 207.421875 MB of memory in use. ENERGY: 2232200 784.5722 2035.6418 1968.3970 125.3637 -206084.8561 17763.1961 0.0000 0.0000 34365.2445 -149042.4407 300.1202 -183407.6852 -148948.5881 299.2909 -28.6207 3.0499 556432.3151 2.9013 2.8771 LDB: ============= START OF LOAD BALANCING ============== 6649.68 LDB: ============== END OF LOAD BALANCING =============== 6649.68 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6649.68 LDB: ============= START OF LOAD BALANCING ============== 6649.98 LDB: Largest compute 4849 load 0.024000 is 20.3% of average load 0.118042 LDB: Average compute 0.001714 is 1.5% of average load 0.118042 LDB: TIME 6649.99 LOAD: AVG 0.118042 MAX 0.200334 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 6649.99 LOAD: AVG 0.118042 MAX 0.200334 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.914 MB LDB: TIME 6649.99 LOAD: AVG 0.118042 MAX 0.200334 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6649.99 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6649.99 PRESSURE: 2232400 -167.98 -31.2629 47.0472 -31.263 -33.318 235.782 47.0489 235.78 75.6892 GPRESSURE: 2232400 -117.933 -55.1441 17.7502 3.46623 0.374595 215.902 51.1578 214.34 78.8923 PRESSAVG: 2232400 -64.4866 13.6068 17.9844 13.6068 17.8297 16.5441 17.9844 16.5442 71.4741 GPRESSAVG: 2232400 -64.3576 12.1472 15.9467 12.7715 18.1381 15.6323 17.6776 16.3603 71.2344 TIMING: 2232400 CPU: 6646.86, 0.00305622/step Wall: 6646.86, 0.00305622/step, 2.34956 hours remaining, 205.429688 MB of memory in use. ENERGY: 2232400 738.6000 2037.9296 1935.0863 115.0351 -205935.3477 17853.5534 0.0000 0.0000 34152.7958 -149102.3473 298.2649 -183255.1432 -148997.8324 299.4086 -41.8696 -12.8885 558751.6500 8.2724 8.3383 PRESSURE: 2232600 79.5427 91.3364 61.8743 91.3371 -51.3397 149.453 61.8733 149.455 5.04163 GPRESSURE: 2232600 98.0232 61.3516 264.362 120.277 41.7697 145.414 9.61578 151.266 -2.18083 PRESSAVG: 2232600 -4.89585 -32.2377 13.3653 -32.2377 59.6547 73.2882 13.3652 73.2882 -40.7245 GPRESSAVG: 2232600 -3.94655 -31.2791 15.1058 -32.3941 58.6835 72.6025 12.5744 75.0653 -40.974 TIMING: 2232600 CPU: 6647.46, 0.00299756/step Wall: 6647.46, 0.00299757/step, 2.3043 hours remaining, 205.429688 MB of memory in use. ENERGY: 2232600 765.8835 2030.6813 1955.0560 119.6002 -206220.1531 17828.8611 0.0000 0.0000 34205.2817 -149314.7891 298.7232 -183520.0709 -149210.9497 299.6591 11.0815 45.8707 558812.1517 4.6781 4.5876 PRESSURE: 2232800 -222.236 -87.1986 64.8092 -87.2007 -316.395 -116.137 64.807 -116.135 -280.148 GPRESSURE: 2232800 -184.642 -50.7185 137.789 -15.7688 -248.256 -184.898 -58.0485 -151.389 -283.682 PRESSAVG: 2232800 -34.6019 -28.3442 64.3317 -28.3443 2.27006 -52.9314 64.3316 -52.9315 6.39974 GPRESSAVG: 2232800 -34.2337 -28.4352 64.9034 -27.6056 3.22657 -50.6122 66.5971 -54.7012 5.05736 TIMING: 2232800 CPU: 6648.06, 0.00299696/step Wall: 6648.06, 0.00299696/step, 2.30367 hours remaining, 205.429688 MB of memory in use. ENERGY: 2232800 737.3331 2058.6316 1920.6531 109.1631 -205865.1905 17509.8013 0.0000 0.0000 34416.6133 -149112.9951 300.5688 -183529.6084 -149005.5762 299.3305 -272.9261 -238.8600 559406.8772 -8.6440 -8.6499 PRESSURE: 2233000 95.8767 -53.1422 101.705 -53.1418 -24.5843 57.5637 101.705 57.5654 -85.9336 GPRESSURE: 2233000 107.615 20.9688 90.5707 -43.7066 19.6787 32.3331 34.106 103.974 -57.4962 PRESSAVG: 2233000 -24.6954 -13.6134 -21.58 -13.6134 53.4988 -5.65034 -21.58 -5.65027 -36.5126 GPRESSAVG: 2233000 -26.5982 -14.7251 -21.6463 -13.2776 54.3794 -5.36392 -22.1132 -4.20736 -35.6164 TIMING: 2233000 CPU: 6648.66, 0.00299317/step Wall: 6648.66, 0.00299318/step, 2.30059 hours remaining, 205.429688 MB of memory in use. ENERGY: 2233000 764.5047 2083.6008 1942.5739 109.4030 -205962.3357 17802.5229 0.0000 0.0000 34159.1390 -149100.5913 298.3203 -183259.7303 -149007.2019 299.5447 -4.8804 23.2659 559368.6887 -2.5697 -2.6117 PRESSURE: 2233200 85.3671 8.58137 -50.632 8.57959 -84.6652 -7.04821 -50.633 -7.04834 332.116 GPRESSURE: 2233200 121.253 48.244 24.4394 -5.03355 -38.2731 69.0767 -140.643 -70.1594 359.795 PRESSAVG: 2233200 -15.8942 -5.95775 -30.715 -5.95783 6.20359 -22.3684 -30.7151 -22.3684 -50.9884 GPRESSAVG: 2233200 -15.3691 -4.75578 -29.3248 -5.08361 5.64359 -22.3767 -33.7542 -22.8286 -50.437 TIMING: 2233200 CPU: 6649.26, 0.00299315/step Wall: 6649.26, 0.00299315/step, 2.3004 hours remaining, 205.429688 MB of memory in use. ENERGY: 2233200 790.4306 2075.2799 1933.5404 111.3840 -206254.0196 17938.7281 0.0000 0.0000 34195.6674 -149208.9892 298.6393 -183404.6566 -149106.6730 299.5797 110.9394 147.5918 557589.5564 -20.2263 -20.0542 PRESSURE: 2233400 -50.4744 136.14 -33.0662 136.14 97.7659 -47.1558 -33.066 -47.1557 259.24 GPRESSURE: 2233400 -91.9792 135.252 6.96787 74.1942 132.384 -11.5301 -136.933 -126.488 355.502 PRESSAVG: 2233400 -65.5913 -37.8971 2.21423 -37.8971 13.7392 -0.449245 2.2142 -0.449249 143.846 GPRESSAVG: 2233400 -65.7684 -37.9434 0.773843 -40.2294 13.3625 -2.06263 4.50562 -0.602588 143.688 TIMING: 2233400 CPU: 6649.85, 0.00295824/step Wall: 6649.85, 0.00295824/step, 2.27341 hours remaining, 205.429688 MB of memory in use. ENERGY: 2233400 758.5521 2104.6177 1942.3673 122.5000 -206339.7031 17949.0736 0.0000 0.0000 34266.7329 -149195.8596 299.2599 -183462.5925 -149098.7513 299.4987 102.1771 131.9688 556431.3972 30.6647 30.4274 PRESSURE: 2233600 10.2129 27.1723 237.705 27.1711 120.877 -20.9091 237.705 -20.9092 -108.748 GPRESSURE: 2233600 104.422 40.6063 233.929 -28.8059 54.6177 -48.0355 297.007 -87.4945 -41.523 PRESSAVG: 2233600 -34.05 -21.5516 39.1238 -21.5516 -11.8803 3.36274 39.1238 3.36263 21.9032 GPRESSAVG: 2233600 -32.9371 -22.9158 39.6543 -19.6795 -11.2095 2.68613 39.0066 2.94117 20.5995 TIMING: 2233600 CPU: 6650.45, 0.00298217/step Wall: 6650.45, 0.00298217/step, 2.29163 hours remaining, 205.429688 MB of memory in use. ENERGY: 2233600 737.3422 2090.8102 1950.1844 112.9770 -206343.7787 17920.0382 0.0000 0.0000 34210.7310 -149321.6957 298.7708 -183532.4267 -149227.3747 298.8526 7.4473 39.1721 558630.5463 -8.0090 -7.8490 PRESSURE: 2233800 -257.041 -30.9233 -153.48 -30.9223 -288.015 5.27709 -153.478 5.27789 -149.782 GPRESSURE: 2233800 -290.108 -62.4879 -166.681 -6.39309 -202.841 -105.429 -168.192 39.7591 -103.101 PRESSAVG: 2233800 60.7537 100.644 -7.65609 100.644 -55.1613 -31.4638 -7.65622 -31.4638 -50.0466 GPRESSAVG: 2233800 59.2013 101.684 -8.22593 99.3982 -54.5964 -31.762 -6.13558 -31.4255 -49.4404 TIMING: 2233800 CPU: 6651.04, 0.00297308/step Wall: 6651.04, 0.00297308/step, 2.28448 hours remaining, 205.429688 MB of memory in use. ENERGY: 2233800 752.4702 2128.8180 1938.3529 111.9057 -205964.9821 17593.7798 0.0000 0.0000 34166.0425 -149273.6131 298.3805 -183439.6556 -149183.7834 299.4463 -231.6127 -198.6833 559387.3844 -14.8181 -14.9451 PRESSURE: 2234000 -141.923 157.651 -95.9439 157.652 -28.0983 -39.7574 -95.9429 -39.7576 104.598 GPRESSURE: 2234000 -67.6883 181.208 -74.4103 130.656 -18.8433 -102.356 -88.2113 -26.3588 107.646 PRESSAVG: 2234000 -44.454 36.4765 -41.1496 36.4765 3.39215 -55.6443 -41.1495 -55.6443 30.6519 GPRESSAVG: 2234000 -43.7158 36.2597 -40.4796 38.4901 3.15548 -53.6661 -44.2992 -57.4199 29.79 TIMING: 2234000 CPU: 6651.64, 0.00297886/step Wall: 6651.64, 0.00297886/step, 2.28876 hours remaining, 205.429688 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: 2234000 757.0875 2058.7435 1939.3817 108.9661 -205921.2378 17861.0653 0.0000 0.0000 33945.1197 -149250.8740 296.4512 -183195.9937 -149158.5954 298.4504 -21.8079 7.0380 559911.1587 -3.4700 -3.5901 PRESSURE: 2234200 -100.566 -91.5603 -203.968 -91.5595 -57.5925 -2.63532 -203.968 -2.63574 -256.443 GPRESSURE: 2234200 -66.8947 -44.7517 -161.309 -101.181 -30.3835 -11.0378 -203.2 45.6732 -222.753 PRESSAVG: 2234200 -59.6471 26.1421 -41.988 26.1421 59.1805 -37.3106 -41.9881 -37.3106 9.24761 GPRESSAVG: 2234200 -59.8485 26.8308 -42.1454 26.0348 59.0621 -39.0403 -38.9898 -33.6413 9.66803 TIMING: 2234200 CPU: 6652.23, 0.00298017/step Wall: 6652.23, 0.00298017/step, 2.2896 hours remaining, 205.429688 MB of memory in use. ENERGY: 2234200 729.9174 2021.8646 1933.3903 110.5500 -205591.8897 17531.4381 0.0000 0.0000 34110.2481 -149154.4812 297.8933 -183264.7293 -149055.5360 299.0965 -138.2002 -106.6771 558861.6817 2.9270 2.9605 PRESSURE: 2234400 -104.532 -4.01549 -90.8223 -4.01672 -91.6736 -112.619 -90.822 -112.618 -107.394 GPRESSURE: 2234400 -62.3302 -6.83143 -100.271 25.5065 -61.693 -18.2731 -109.658 -220.556 -81.5003 PRESSAVG: 2234400 -5.2217 -11.522 -19.6649 -11.5221 -6.15826 -21.8958 -19.6649 -21.8956 47.6385 GPRESSAVG: 2234400 -5.57943 -11.6375 -17.8886 -12.4418 -6.39043 -23.3153 -21.1142 -23.7405 47.8287 TIMING: 2234400 CPU: 6652.83, 0.00298019/step Wall: 6652.83, 0.00298019/step, 2.28945 hours remaining, 205.429688 MB of memory in use. ENERGY: 2234400 718.1701 2087.1947 1947.2937 94.9507 -205888.8925 17602.5831 0.0000 0.0000 34128.8418 -149309.8584 298.0557 -183438.7002 -149214.2956 299.2497 -101.1997 -68.5078 558188.8743 12.0862 11.9529 PRESSURE: 2234600 -384.635 -99.0333 -27.1062 -99.0332 -201.495 -73.1873 -27.1055 -73.1881 77.7966 GPRESSURE: 2234600 -296.276 -148.946 0.96842 -109.284 -163.46 -100.579 24.0988 -0.928276 49.2549 PRESSAVG: 2234600 -59.2421 24.5348 30.9949 24.5348 -17.1221 22.8499 30.9949 22.85 78.9865 GPRESSAVG: 2234600 -57.4747 22.9725 30.4701 24.2248 -17.0885 24.183 32.6709 23.9598 77.5407 TIMING: 2234600 CPU: 6653.43, 0.00298663/step Wall: 6653.43, 0.00298663/step, 2.29423 hours remaining, 205.429688 MB of memory in use. ENERGY: 2234600 751.1230 2063.6427 1927.9794 117.1881 -205979.5110 17554.3813 0.0000 0.0000 34287.1188 -149278.0777 299.4379 -183565.1965 -149180.1960 299.8582 -169.4445 -136.8270 557006.7398 0.8741 0.9925 PRESSURE: 2234800 121.726 -209.186 20.8692 -209.186 75.2196 -126.517 20.8698 -126.517 54.9873 GPRESSURE: 2234800 156.93 -214.165 -18.6143 -166.036 128.02 -207.468 86.7711 -43.1198 70.3655 PRESSAVG: 2234800 -43.8202 -0.505443 36.4384 -0.50545 -5.35409 12.7496 36.4384 12.7495 70.882 GPRESSAVG: 2234800 -45.7504 0.381925 36.298 -0.0155085 -4.13862 12.4675 33.7942 11.3533 71.5446 TIMING: 2234800 CPU: 6654.03, 0.00298882/step Wall: 6654.03, 0.00298882/step, 2.29574 hours remaining, 205.429688 MB of memory in use. ENERGY: 2234800 754.7178 2086.6848 1965.5398 108.2189 -206540.4532 18056.6506 0.0000 0.0000 34286.8780 -149281.7632 299.4358 -183568.6413 -149188.5210 299.1836 83.9776 118.4384 556887.2095 7.2359 7.2185 PRESSURE: 2235000 -87.324 -40.4848 -116.772 -40.4855 -366.87 126.799 -116.772 126.799 -234.097 GPRESSURE: 2235000 -34.8865 -18.4253 -87.9385 -130.842 -326.974 168.475 -141.922 150.792 -220.774 PRESSAVG: 2235000 35.7274 -20.1073 -18.6037 -20.1073 21.8622 -24.8311 -18.6037 -24.831 -30.3454 GPRESSAVG: 2235000 37.0659 -21.2851 -17.4544 -19.6235 20.7305 -24.6454 -18.2911 -23.5108 -30.6117 TIMING: 2235000 CPU: 6654.62, 0.00298745/step Wall: 6654.62, 0.00298745/step, 2.29453 hours remaining, 205.429688 MB of memory in use. ENERGY: 2235000 738.9237 2134.5980 1946.7372 111.8382 -206057.6510 17490.7990 0.0000 0.0000 34232.9241 -149401.8308 298.9646 -183634.7549 -149308.5471 299.0922 -229.4304 -194.2116 557123.1042 9.0814 9.0616 PRESSURE: 2235200 249.595 65.7905 10.9965 65.7909 140.829 -63.4968 10.9964 -63.4967 0.210732 GPRESSURE: 2235200 285.79 78.714 0.641947 111.972 149.714 -26.2121 44.7382 -114.04 52.239 PRESSAVG: 2235200 -16.2328 15.9556 -30.3077 15.9556 6.77561 1.27628 -30.3078 1.27624 -1.44778 GPRESSAVG: 2235200 -17.5023 17.7057 -33.4402 14.4859 7.26571 1.51465 -28.1434 0.971915 -1.94857 TIMING: 2235200 CPU: 6655.22, 0.0029736/step Wall: 6655.22, 0.0029736/step, 2.28372 hours remaining, 205.429688 MB of memory in use. ENERGY: 2235200 719.3209 2034.7298 1936.9479 108.3716 -206520.9265 18020.4133 0.0000 0.0000 34416.7373 -149284.4056 300.5699 -183701.1429 -149191.9831 298.7595 130.2115 162.5809 556513.4926 -3.6350 -4.0617 PRESSURE: 2235400 254.764 -52.7819 -159.706 -52.782 50.4536 111.211 -159.706 111.211 -13.0543 GPRESSURE: 2235400 274.207 -45.8203 -179.191 -29.61 84.5656 57.2703 -209.475 166.219 30.689 PRESSAVG: 2235400 32.4752 -1.58888 -9.81121 -1.58895 9.83702 1.17873 -9.81113 1.17872 -26.308 GPRESSAVG: 2235400 32.3155 -3.79829 -9.62767 0.588981 9.39227 1.06374 -11.4863 1.29704 -25.5566 TIMING: 2235400 CPU: 6655.81, 0.00297543/step Wall: 6655.81, 0.00297543/step, 2.28496 hours remaining, 205.429688 MB of memory in use. ENERGY: 2235400 756.6257 2120.0637 1937.5481 112.4614 -206299.0470 17932.1142 0.0000 0.0000 34223.6945 -149216.5395 298.8840 -183440.2340 -149115.7355 299.5237 97.3877 129.8207 555968.0831 5.3347 5.3837 PRESSURE: 2235600 -188.747 -174.879 -40.0882 -174.878 -186.006 -29.547 -40.0875 -29.5463 -277.494 GPRESSURE: 2235600 -162.226 -87.3066 -69.5404 -269.239 -142.989 -89.4588 56.4792 -33.9775 -246.3 PRESSAVG: 2235600 50.9669 -2.91735 -35.1838 -2.91734 -10.0155 -12.6727 -35.1838 -12.6726 11.6589 GPRESSAVG: 2235600 50.9202 0.414572 -33.8376 -4.32602 -9.63361 -9.2982 -34.7923 -12.5498 11.6599 TIMING: 2235600 CPU: 6656.41, 0.0029826/step Wall: 6656.41, 0.0029826/step, 2.29031 hours remaining, 205.429688 MB of memory in use. ENERGY: 2235600 736.7497 2116.2063 1919.3827 108.9899 -205471.5839 17358.5086 0.0000 0.0000 34155.0761 -149076.6705 298.2848 -183231.7467 -148977.5968 299.6682 -217.4157 -183.8382 557691.3066 17.5368 17.6488 PRESSURE: 2235800 -96.2078 8.99338 91.6057 8.9942 206.413 -36.5472 91.605 -36.5486 86.5299 GPRESSURE: 2235800 -47.2925 -87.3036 72.7633 -20.0163 233.214 -14.1008 47.1963 -16.3033 93.9334 PRESSAVG: 2235800 -5.21466 21.5029 -14.02 21.5029 5.57539 -33.9701 -14.02 -33.9702 1.49185 GPRESSAVG: 2235800 -4.5571 18.8958 -13.5193 21.9355 5.69852 -36.5944 -13.8482 -34.8137 0.735782 TIMING: 2235800 CPU: 6657.01, 0.00298671/step Wall: 6657.01, 0.00298671/step, 2.29329 hours remaining, 205.429688 MB of memory in use. ENERGY: 2235800 737.3571 2137.5955 1949.3603 113.6706 -206143.3063 17968.8612 0.0000 0.0000 34152.6525 -149083.8091 298.2636 -183236.4616 -148985.1192 299.5880 65.5782 93.2848 557672.1955 0.6175 0.6257 PRESSURE: 2236000 14.7366 -56.3761 -82.6328 -56.3762 25.2295 -76.5081 -82.6333 -76.5069 -96.8665 GPRESSURE: 2236000 -24.7836 -62.1584 -7.21929 8.95285 69.526 -2.90561 -119.21 -151.553 -27.8549 PRESSAVG: 2236000 60.8033 14.5306 4.55699 14.5306 -4.59086 49.767 4.55697 49.767 -64.0744 GPRESSAVG: 2236000 59.9042 16.2301 4.78571 14.1889 -5.02138 50.0552 4.27301 50.2608 -63.3505 TIMING: 2236000 CPU: 6657.6, 0.00297559/step Wall: 6657.6, 0.00297559/step, 2.28459 hours remaining, 205.429688 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: 2236000 727.6164 2102.9383 1947.9790 120.6182 -206123.4489 17839.9582 0.0000 0.0000 34357.6631 -149026.6757 300.0540 -183384.3388 -148928.9016 300.0354 -18.9668 5.6291 558843.1431 -2.6207 -2.8226 PRESSURE: 2236200 -204.554 -24.0763 45.7571 -24.0776 -134.026 -179.688 45.7565 -179.688 98.8248 GPRESSURE: 2236200 -128.951 33.3848 72.3798 -7.08929 -103.878 -178.207 43.0991 -149.104 90.866 PRESSAVG: 2236200 -23.3944 -54.8432 51.6218 -54.8432 6.25871 -61.0952 51.6217 -61.0952 9.37158 GPRESSAVG: 2236200 -23.207 -55.1082 51.8799 -53.2992 7.90155 -60.2385 53.6988 -61.1555 7.76946 TIMING: 2236200 CPU: 6658.2, 0.00298897/step Wall: 6658.2, 0.00298897/step, 2.2947 hours remaining, 205.429688 MB of memory in use. ENERGY: 2236200 751.1670 2150.0961 1927.5013 104.2342 -206156.0701 17772.3915 0.0000 0.0000 34423.5387 -149027.1413 300.6293 -183450.6800 -148935.4596 300.3708 -79.9182 -47.3212 558800.9974 -2.5880 -2.5120 LDB: ============= START OF LOAD BALANCING ============== 6661.63 LDB: ============== END OF LOAD BALANCING =============== 6661.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6661.63 LDB: ============= START OF LOAD BALANCING ============== 6661.93 LDB: Largest compute 4849 load 0.023649 is 20.0% of average load 0.118175 LDB: Average compute 0.001712 is 1.4% of average load 0.118175 LDB: TIME 6661.93 LOAD: AVG 0.118175 MAX 0.200674 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 6661.93 LOAD: AVG 0.118175 MAX 0.200674 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 6661.93 LOAD: AVG 0.118175 MAX 0.200674 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6661.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6661.94 PRESSURE: 2236400 149.903 -77.8334 -160.267 -77.8324 -45.9222 19.596 -160.268 19.596 -286.517 GPRESSURE: 2236400 138.806 -115.01 -195.82 -20.7518 -16.8061 35.0192 -146.779 53.3978 -222.706 PRESSAVG: 2236400 -15.2494 -20.495 -56.2489 -20.4949 -30.1877 1.07401 -56.2488 1.07408 13.3322 GPRESSAVG: 2236400 -14.1778 -21.9805 -56.3221 -20.0153 -32.6695 -1.15141 -58.0473 0.360155 14.5265 TIMING: 2236400 CPU: 6658.81, 0.00305473/step Wall: 6658.81, 0.00305473/step, 2.34502 hours remaining, 205.429688 MB of memory in use. ENERGY: 2236400 723.0590 2110.7188 1935.5603 135.5763 -205868.7144 17713.5103 0.0000 0.0000 34331.5490 -148918.7407 299.8260 -183250.2897 -148813.2344 300.2136 -60.8453 -33.5689 558783.1340 -10.7017 -10.7736 PRESSURE: 2236600 -192.839 -20.6542 18.6891 -20.6554 305.068 41.0985 18.6898 41.1001 -134.893 GPRESSURE: 2236600 -137.677 9.63789 17.7652 -46.9576 284.025 58.6234 -57.5267 45.043 -73.557 PRESSAVG: 2236600 -10.0129 -31.8197 -25.6447 -31.8198 30.9399 -31.3043 -25.6447 -31.3044 -21.6337 GPRESSAVG: 2236600 -11.5186 -31.8388 -26.7191 -32.9806 31.3992 -30.2714 -25.0586 -30.6582 -21.1042 TIMING: 2236600 CPU: 6659.41, 0.00298047/step Wall: 6659.41, 0.00298048/step, 2.28785 hours remaining, 205.429688 MB of memory in use. ENERGY: 2236600 727.6456 2085.6474 1943.5036 132.5564 -205748.6531 17715.2029 0.0000 0.0000 34178.0774 -148966.0198 298.4857 -183144.0972 -148864.6639 299.7488 -7.5546 24.2636 558375.9021 -0.2356 -0.4079 PRESSURE: 2236800 -194.232 -58.7456 -101.811 -58.7464 37.6468 23.9675 -101.81 23.968 -44.8044 GPRESSURE: 2236800 -186.986 -11.3353 -179.409 -24.4228 62.8834 74.813 -111.147 42.7978 27.4781 PRESSAVG: 2236800 -49.0353 45.2963 23.9748 45.2962 68.4723 43.5712 23.975 43.5712 -9.29093 GPRESSAVG: 2236800 -48.5662 45.2502 24.4373 45.2868 68.4764 43.4873 23.6175 43.7544 -9.9372 TIMING: 2236800 CPU: 6660, 0.00298073/step Wall: 6660, 0.00298073/step, 2.28788 hours remaining, 205.429688 MB of memory in use. ENERGY: 2236800 752.5402 2124.2021 1976.2849 129.7593 -205724.2379 17689.1058 0.0000 0.0000 34032.0333 -149020.3123 297.2102 -183052.3456 -148925.0914 299.9920 -67.1300 -32.2083 557132.2301 3.3820 3.3243 PRESSURE: 2237000 -220.328 -134.905 54.839 -134.906 -197.555 65.6184 54.8391 65.6181 0.969525 GPRESSURE: 2237000 -165.105 -149.547 -6.59357 -171.634 -111.177 78.3241 86.7596 19.1638 -50.2699 PRESSAVG: 2237000 49.5354 -19.9631 -18.3274 -19.9631 -1.63568 55.5811 -18.3275 55.5811 -38.701 GPRESSAVG: 2237000 50.1434 -20.0818 -18.9457 -19.8088 -2.41825 54.9112 -19.973 56.498 -37.7924 TIMING: 2237000 CPU: 6660.59, 0.00296138/step Wall: 6660.59, 0.00296138/step, 2.27286 hours remaining, 205.429688 MB of memory in use. ENERGY: 2237000 778.9549 2157.0899 1932.1171 116.9073 -206072.2295 17672.8797 0.0000 0.0000 34320.3110 -149093.9695 299.7278 -183414.2806 -148999.8942 299.4209 -138.9712 -108.8508 557205.4031 3.0663 3.3109 PRESSURE: 2237200 14.2934 103.821 4.65857 103.821 4.58079 18.854 4.65926 18.8545 -118.824 GPRESSURE: 2237200 42.2774 200.861 39.5228 -16.3213 62.8684 35.6269 -77.0796 18.1048 -97.3582 PRESSAVG: 2237200 52.7059 -14.5793 -4.8021 -14.5794 -24.516 38.468 -4.80206 38.468 21.5377 GPRESSAVG: 2237200 52.0262 -14.8664 -4.17319 -13.5639 -24.1542 38.9129 -3.21432 37.1416 21.5642 TIMING: 2237200 CPU: 6661.19, 0.00298447/step Wall: 6661.19, 0.00298447/step, 2.29041 hours remaining, 205.429688 MB of memory in use. ENERGY: 2237200 758.2835 2157.0622 1955.2388 119.3479 -206137.9306 17581.7436 0.0000 0.0000 34174.3303 -149391.9242 298.4529 -183566.2545 -149301.4593 299.6615 -33.3165 2.5959 556325.7700 16.5759 16.4788 PRESSURE: 2237400 -67.1891 -99.8299 -58.6188 -99.8302 -51.1768 -26.1826 -58.6192 -26.184 28.3564 GPRESSURE: 2237400 -21.4281 -128.389 -182.134 -91.6148 22.1542 20.7278 13.0993 -149.528 19.1406 PRESSAVG: 2237400 3.96683 3.64913 -6.7071 3.64915 -16.7357 43.9942 -6.70718 43.9942 36.638 GPRESSAVG: 2237400 4.10486 6.16302 -7.10894 2.71239 -17.4165 45.0473 -7.28961 45.6957 37.5682 TIMING: 2237400 CPU: 6661.79, 0.00299479/step Wall: 6661.79, 0.00299479/step, 2.29817 hours remaining, 205.429688 MB of memory in use. ENERGY: 2237400 763.3357 2111.3939 1931.3792 122.5591 -206545.3909 17865.3647 0.0000 0.0000 34419.3282 -149332.0300 300.5926 -183751.3582 -149238.2866 299.2408 -30.0032 6.6222 557151.7114 7.9564 8.0855 PRESSURE: 2237600 -33.8563 167.08 -81.7252 167.078 -254.016 -28.5085 -81.7254 -28.507 -89.6961 GPRESSURE: 2237600 -5.67633 89.2722 -119.811 185.788 -209.429 13.7949 -108.466 24.5798 -75.5051 PRESSAVG: 2237600 10.3953 45.4449 57.3892 45.4448 9.3881 25.3433 57.3891 25.3433 23.4988 GPRESSAVG: 2237600 9.46141 43.2344 58.693 44.7301 10.3126 26.174 57.0944 24.9526 23.4136 TIMING: 2237600 CPU: 6662.39, 0.00297931/step Wall: 6662.39, 0.00297931/step, 2.28613 hours remaining, 205.429688 MB of memory in use. ENERGY: 2237600 771.5064 2064.4670 1949.3901 103.9914 -206315.1722 17732.6451 0.0000 0.0000 34274.9229 -149418.2493 299.3314 -183693.1722 -149325.5801 299.2182 -125.8562 -96.8701 558320.5523 14.4274 14.3959 PRESSURE: 2237800 212.979 -102.242 -24.06 -102.244 -101.058 -43.3117 -24.0607 -43.311 25.7616 GPRESSURE: 2237800 304.236 -1.05579 -31.4067 -159.043 -179.43 -63.1295 35.3457 -10.1177 119.685 PRESSAVG: 2237800 45.3809 27.1661 21.1545 27.166 -23.3652 52.3795 21.1545 52.3794 -27.3899 GPRESSAVG: 2237800 45.9633 28.4767 18.6802 26.6668 -23.1065 51.1351 22.3683 51.0287 -28.1849 TIMING: 2237800 CPU: 6662.99, 0.00300106/step Wall: 6662.99, 0.00300106/step, 2.30265 hours remaining, 205.429688 MB of memory in use. ENERGY: 2237800 720.9057 2054.7466 1953.4221 130.4435 -206429.1578 17901.4576 0.0000 0.0000 34254.3900 -149413.7923 299.1521 -183668.1823 -149320.9159 298.8472 45.8943 81.4968 556877.4008 -1.7914 -1.7761 PRESSURE: 2238000 -194.517 -68.619 -68.1646 -68.6188 -399.237 -44.6311 -68.1643 -44.631 -276.41 GPRESSURE: 2238000 -177.497 -90.3098 -179.737 -47.1382 -354.918 -42.3169 -36.5056 -67.0003 -243.264 PRESSAVG: 2238000 56.0488 -7.17321 -10.4123 -7.17309 -9.85999 8.65588 -10.4123 8.65596 -27.7636 GPRESSAVG: 2238000 56.3319 -6.80215 -12.0969 -8.47768 -10.6887 9.4581 -9.22454 8.24478 -27.0154 TIMING: 2238000 CPU: 6663.58, 0.00298567/step Wall: 6663.58, 0.00298567/step, 2.29067 hours remaining, 205.429688 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: 2238000 748.5364 2046.2243 1987.7297 109.1902 -206051.2847 17505.8114 0.0000 0.0000 34369.9815 -149283.8112 300.1616 -183653.7928 -149182.9402 298.6470 -290.0546 -258.5597 558990.9206 6.1417 6.2092 PRESSURE: 2238200 -226.401 57.9948 -58.9276 57.9945 -37.1984 -14.6159 -58.9291 -14.6174 -378.548 GPRESSURE: 2238200 -173.182 68.598 -6.04158 7.06827 -43.1177 -9.93506 -57.8875 -33.0259 -318.796 PRESSAVG: 2238200 52.661 7.93844 -13.943 7.93846 -61.2428 17.3352 -13.943 17.3353 -7.4971 GPRESSAVG: 2238200 52.4544 5.91176 -11.6186 10.7434 -60.3724 15.8671 -15.7112 18.6414 -7.86701 TIMING: 2238200 CPU: 6664.19, 0.00301304/step Wall: 6664.19, 0.00301304/step, 2.3115 hours remaining, 205.429688 MB of memory in use. ENERGY: 2238200 728.5558 2056.4121 1967.4121 110.0968 -205958.4413 17423.4912 0.0000 0.0000 34218.3258 -149454.1475 298.8371 -183672.4732 -149349.4092 298.9363 -214.0492 -178.3652 559736.7975 -5.3596 -5.2617 PRESSURE: 2238400 126.745 45.6272 84.1533 45.6261 -30.7191 5.82328 84.1528 5.82401 -59.8259 GPRESSURE: 2238400 124.527 29.3074 165.554 39.3797 7.30988 20.8749 33.3685 -40.1507 2.59632 PRESSAVG: 2238400 35.9344 -35.8478 12.0182 -35.8478 15.876 -33.4582 12.0182 -33.4583 -72.1387 GPRESSAVG: 2238400 35.2734 -36.518 14.9389 -35.2346 17.4797 -30.1895 11.4872 -35.9636 -72.5931 TIMING: 2238400 CPU: 6664.79, 0.00302502/step Wall: 6664.79, 0.00302502/step, 2.32053 hours remaining, 205.429688 MB of memory in use. ENERGY: 2238400 795.1958 2106.6333 1929.8912 104.0705 -206440.0446 18111.2654 0.0000 0.0000 33933.9871 -149459.0013 296.3539 -183392.9884 -149364.8720 298.0655 12.0665 44.8111 559183.1506 -6.7761 -6.6134 PRESSURE: 2238600 -169.687 53.75 11.3351 53.7506 -119.193 15.8575 11.3352 15.857 -267.791 GPRESSURE: 2238600 -125.629 75.6736 -6.97884 -13.3919 -107.574 -45.298 103.426 34.9051 -235.085 PRESSAVG: 2238600 35.8352 -24.5385 -0.495171 -24.5386 24.715 34.7559 -0.495147 34.7558 -45.193 GPRESSAVG: 2238600 36.385 -23.1752 -3.62882 -27.145 23.7152 34.2438 1.57453 36.338 -44.5445 TIMING: 2238600 CPU: 6665.39, 0.00300255/step Wall: 6665.39, 0.00300255/step, 2.30313 hours remaining, 205.429688 MB of memory in use. ENERGY: 2238600 755.6431 2052.5215 1940.9431 119.8514 -206502.8986 17849.8655 0.0000 0.0000 33983.5536 -149800.5203 296.7868 -183784.0740 -149699.8772 298.1739 -185.5568 -156.0961 559294.1236 5.1191 5.1852 PRESSURE: 2238800 217.626 -46.3441 150.131 -46.3438 147.08 -66.5212 150.131 -66.5231 -172.596 GPRESSURE: 2238800 286.345 -57.9406 91.4949 -22.9973 175.515 -6.06221 167.823 -102.689 -171.298 PRESSAVG: 2238800 34.6821 -0.440376 26.7424 -0.440304 -24.7123 -8.45732 26.7425 -8.4574 -3.41158 GPRESSAVG: 2238800 35.497 -0.691364 28.0548 1.03209 -24.896 -9.91893 26.9615 -8.5797 -3.57414 TIMING: 2238800 CPU: 6665.99, 0.00300067/step Wall: 6665.99, 0.00300067/step, 2.30151 hours remaining, 205.429688 MB of memory in use. ENERGY: 2238800 747.3348 2138.6259 1943.7449 112.8969 -206783.9405 18167.2351 0.0000 0.0000 34008.3916 -149665.7112 297.0037 -183674.1028 -149572.8695 297.2143 64.0366 96.8541 557227.8243 2.1861 2.3423 PRESSURE: 2239000 52.3516 122.397 -5.15868 122.396 80.8319 -14.6837 -5.15946 -14.6835 -185.626 GPRESSURE: 2239000 68.3895 120.858 21.1227 193.448 129.456 -14.4296 -16.2188 62.5404 -160.233 PRESSAVG: 2239000 52.1123 33.524 64.1674 33.5241 59.0217 28.101 64.1675 28.1011 -73.5052 GPRESSAVG: 2239000 51.4739 33.4161 62.8468 33.2668 59.0012 30.0536 63.1145 28.7605 -72.8475 TIMING: 2239000 CPU: 6666.59, 0.00300022/step Wall: 6666.59, 0.00300022/step, 2.301 hours remaining, 205.429688 MB of memory in use. ENERGY: 2239000 744.6232 2097.7842 1953.7307 105.9569 -206618.9825 17760.6573 0.0000 0.0000 34217.7191 -149738.5112 298.8319 -183956.2303 -149647.7851 297.8318 -17.4807 12.5377 557397.5698 12.5429 12.5425 PRESSURE: 2239200 238.387 -122.454 91.1203 -122.454 -100.71 -183.957 91.1214 -183.956 255.426 GPRESSURE: 2239200 309.007 -125.597 49.9703 -86.8681 -89.8909 -182.81 134.419 -218.265 260.634 PRESSAVG: 2239200 32.9064 -12.6993 8.33911 -12.6994 -0.565621 -5.10832 8.33914 -5.10837 0.112287 GPRESSAVG: 2239200 32.8368 -13.1483 7.30225 -13.4494 0.185929 -6.63958 9.17924 -5.0498 0.0899065 TIMING: 2239200 CPU: 6667.19, 0.00300096/step Wall: 6667.19, 0.00300096/step, 2.3014 hours remaining, 205.429688 MB of memory in use. ENERGY: 2239200 765.5357 2072.4519 1952.4125 134.7215 -207124.2461 18227.0228 0.0000 0.0000 34275.3124 -149696.7893 299.3348 -183972.1016 -149603.6001 297.8407 131.0344 159.9166 556016.6340 10.8177 11.0376 PRESSURE: 2239400 -192.891 -33.7518 -47.4174 -33.7513 -170.156 -2.4987 -47.4187 -2.49901 -41.207 GPRESSURE: 2239400 -160.988 106.17 -119.971 -84.6867 -163.498 60.4686 42.6385 -10.2109 12.7745 PRESSAVG: 2239400 12.3286 20.6882 22.4643 20.6881 9.22784 -38.9386 22.4643 -38.9387 -13.4118 GPRESSAVG: 2239400 12.8052 22.7968 23.8008 19.641 8.99305 -40.4059 22.1682 -39.7545 -13.3943 TIMING: 2239400 CPU: 6667.79, 0.00300241/step Wall: 6667.79, 0.00300241/step, 2.30235 hours remaining, 205.429688 MB of memory in use. ENERGY: 2239400 757.9889 2036.3091 1962.9455 122.5812 -206278.4655 17718.1955 0.0000 0.0000 34138.7200 -149541.7253 298.1419 -183680.4453 -149449.0880 298.2219 -134.7516 -103.9040 557987.4316 2.7149 2.8013 PRESSURE: 2239600 -106.98 -27.9388 130.478 -27.9384 -186.739 -8.13774 130.48 -8.1364 124.959 GPRESSURE: 2239600 -53.3044 18.6861 168.03 -53.4155 -136.434 55.7265 67.4076 8.31344 128.216 PRESSAVG: 2239600 -11.5426 -21.7613 26.0677 -21.7613 -22.976 3.97206 26.0676 3.972 59.7144 GPRESSAVG: 2239600 -11.4002 -20.227 25.0479 -22.1473 -23.4269 6.75664 24.1032 5.04317 60.1666 TIMING: 2239600 CPU: 6668.39, 0.002996/step Wall: 6668.39, 0.002996/step, 2.29727 hours remaining, 205.429688 MB of memory in use. ENERGY: 2239600 768.0103 2081.5002 1937.2637 118.2893 -206531.3977 17844.8509 0.0000 0.0000 34248.9942 -149532.4891 299.1050 -183781.4833 -149437.6836 298.4849 -56.2532 -20.5077 557778.5290 8.3986 8.4465 PRESSURE: 2239800 12.1382 -21.6429 -7.78325 -21.643 -106.868 34.8424 -7.78232 34.843 -285.778 GPRESSURE: 2239800 67.8019 -40.9102 32.0493 -66.2634 -100.713 41.7842 1.63207 -32.614 -262.951 PRESSAVG: 2239800 46.439 0.822629 -14.4394 0.822676 -3.4105 -1.54197 -14.4393 -1.54202 -51.7303 GPRESSAVG: 2239800 45.8221 -1.92264 -12.5752 0.707405 -2.36315 -3.09158 -13.2466 -1.587 -51.9671 TIMING: 2239800 CPU: 6668.99, 0.00301414/step Wall: 6668.99, 0.00301414/step, 2.31101 hours remaining, 205.429688 MB of memory in use. ENERGY: 2239800 747.8937 2144.1501 1937.8982 126.3357 -206405.9880 17830.5268 0.0000 0.0000 34134.4490 -149484.7346 298.1046 -183619.1836 -149389.2486 298.9263 -126.8358 -98.6208 557271.4883 -2.9006 -2.8361 PRESSURE: 2240000 -276.829 68.5257 120.995 68.5254 -56.6279 -114.291 120.996 -114.291 -79.6437 GPRESSURE: 2240000 -221.676 118.257 107.096 -9.08846 23.1572 -164.932 1.3687 -83.4908 -123.337 PRESSAVG: 2240000 -34.3968 -17.1347 -74.8843 -17.1346 43.6884 12.6486 -74.8843 12.6486 5.90126 GPRESSAVG: 2240000 -33.5898 -15.8362 -75.4058 -16.7914 43.9661 12.6891 -75.4398 13.6938 4.63019 TIMING: 2240000 CPU: 6669.59, 0.00300072/step Wall: 6669.59, 0.00300072/step, 2.30055 hours remaining, 205.429688 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: 2240000 721.6628 2129.9640 1926.8802 111.1232 -205913.1095 17557.8071 0.0000 0.0000 34111.5788 -149354.0935 297.9049 -183465.6722 -149259.7659 299.2107 -137.7001 -107.2852 558849.6929 5.0643 5.0022 PRESSURE: 2240200 -222.519 -77.8842 -128.836 -77.8835 144.133 1.88657 -128.836 1.88796 52.2798 GPRESSURE: 2240200 -167.218 -57.2686 -101.179 5.55639 199.85 35.4245 -159.266 10.2698 23.4813 PRESSAVG: 2240200 -27.0219 -23.7253 -18.7565 -23.7252 21.905 -22.3595 -18.7565 -22.3594 21.6496 GPRESSAVG: 2240200 -27.7594 -26.094 -18.6849 -20.9882 21.7675 -22.191 -16.3511 -25.1602 21.7488 TIMING: 2240200 CPU: 6670.19, 0.00298287/step Wall: 6670.19, 0.00298287/step, 2.2867 hours remaining, 205.429688 MB of memory in use. ENERGY: 2240200 735.2308 2079.3759 1922.8629 112.7473 -206371.4384 17885.2390 0.0000 0.0000 34214.2697 -149421.7129 298.8017 -183635.9825 -149328.1583 298.6620 -8.7020 18.7043 556457.5337 5.5109 5.2523 LDB: ============= START OF LOAD BALANCING ============== 6673.62 LDB: ============== END OF LOAD BALANCING =============== 6673.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6673.62 LDB: ============= START OF LOAD BALANCING ============== 6673.93 LDB: Largest compute 4849 load 0.026833 is 22.7% of average load 0.117995 LDB: Average compute 0.001715 is 1.5% of average load 0.117995 LDB: TIME 6673.93 LOAD: AVG 0.117995 MAX 0.200494 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 6673.93 LOAD: AVG 0.117995 MAX 0.200494 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: TIME 6673.93 LOAD: AVG 0.117995 MAX 0.200494 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6673.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6673.93 PRESSURE: 2240400 -149.485 35.1376 -61.3604 35.1372 -165.037 -96.2345 -61.3591 -96.2333 -138.084 GPRESSURE: 2240400 -105.04 133.489 -24.0284 45.5512 -112.985 -72.1745 31.6959 -85.3009 -145.787 PRESSAVG: 2240400 -6.75463 -12.1349 -11.5285 -12.1349 -14.1383 -20.8296 -11.5286 -20.8296 18.2572 GPRESSAVG: 2240400 -6.35154 -11.3725 -13.218 -13.7746 -14.4758 -21.1297 -13.773 -19.2738 18.1632 TIMING: 2240400 CPU: 6670.81, 0.00307035/step Wall: 6670.81, 0.00307035/step, 2.3536 hours remaining, 206.511719 MB of memory in use. ENERGY: 2240400 728.3758 2071.4159 1920.8926 117.0998 -206481.5949 17797.3635 0.0000 0.0000 34411.6674 -149434.7800 300.5257 -183846.4475 -149334.0427 298.2297 -150.8688 -121.2706 559833.4088 -0.8786 -0.8880 PRESSURE: 2240600 78.884 -6.63558 28.8774 -6.63641 -117.374 -38.4793 28.8761 -38.4792 30.0429 GPRESSURE: 2240600 54.5669 40.8615 3.52547 -53.3825 -33.4144 -63.5427 -6.48291 -10.1019 76.5115 PRESSAVG: 2240600 -110.392 -13.7316 -41.5246 -13.7316 91.2675 -57.0075 -41.5246 -57.0075 -0.0943435 GPRESSAVG: 2240600 -109.759 -15.32 -41.4269 -12.8896 90.3976 -57.4211 -39.8972 -56.8842 0.476624 TIMING: 2240600 CPU: 6671.4, 0.00299711/step Wall: 6671.4, 0.00299711/step, 2.29729 hours remaining, 206.710938 MB of memory in use. ENERGY: 2240600 710.3524 2134.1589 1962.7186 133.8254 -206607.4635 17949.6701 0.0000 0.0000 34239.5960 -149477.1420 299.0229 -183716.7381 -149382.9632 298.7194 -2.8157 32.5547 557912.5076 -6.4064 -6.2951 PRESSURE: 2240800 -12.5493 175.578 -165.164 175.58 -61.3049 40.6275 -165.164 40.6271 -183.576 GPRESSURE: 2240800 51.8407 196.84 -73.233 127.163 -51.4004 -9.53679 -127.991 66.5235 -165.849 PRESSAVG: 2240800 -41.6561 6.95324 27.7294 6.95333 40.4475 -46.7193 27.7294 -46.7194 22.9566 GPRESSAVG: 2240800 -41.357 8.57845 28.8752 5.25785 40.5894 -44.0877 27.578 -48.7434 22.5404 TIMING: 2240800 CPU: 6672, 0.00299706/step Wall: 6672, 0.00299706/step, 2.29708 hours remaining, 206.710938 MB of memory in use. ENERGY: 2240800 746.6976 2087.0202 1918.5721 111.3388 -206405.6324 17895.6769 0.0000 0.0000 34187.8966 -149458.4301 298.5714 -183646.3266 -149356.4523 298.7827 -85.8102 -55.1363 558706.7593 7.2493 7.2576 PRESSURE: 2241000 101.466 110.188 -178.617 110.187 40.4227 44.9031 -178.617 44.9039 71.8107 GPRESSURE: 2241000 125.844 113.893 -193.721 97.9671 76.113 -26.3841 -129.661 95.4122 103.892 PRESSAVG: 2241000 -20.3543 33.522 -15.8764 33.522 40.9193 -29.332 -15.8764 -29.332 -43.926 GPRESSAVG: 2241000 -21.2128 33.1498 -15.1605 34.8961 41.2164 -32.5564 -15.5578 -28.2859 -43.8148 TIMING: 2241000 CPU: 6672.61, 0.00300874/step Wall: 6672.61, 0.00300874/step, 2.30587 hours remaining, 206.710938 MB of memory in use. ENERGY: 2241000 700.7001 2076.6904 1953.0235 119.6507 -206403.3802 18095.4690 0.0000 0.0000 34019.1701 -149438.6763 297.0979 -183457.8464 -149346.2731 298.1720 71.2332 101.9496 559130.5744 -7.7870 -7.9371 PRESSURE: 2241200 -358.668 -152.241 -19.325 -152.241 -246.671 -63.9423 -19.3239 -63.9427 59.0594 GPRESSURE: 2241200 -343.049 -166.284 -63.6541 -191.514 -205.638 -48.2358 11.0099 -96.2997 77.1937 PRESSAVG: 2241200 6.82454 -35.6232 -55.5826 -35.6232 -45.6919 -21.517 -55.5825 -21.5169 39.1861 GPRESSAVG: 2241200 6.99718 -36.1305 -57.7951 -35.8153 -46.2711 -20.7021 -56.5718 -20.9877 39.2595 TIMING: 2241200 CPU: 6673.2, 0.00298985/step Wall: 6673.2, 0.00298985/step, 2.29122 hours remaining, 206.710938 MB of memory in use. ENERGY: 2241200 755.4421 2107.8256 1934.5561 108.9877 -206101.2948 17701.9810 0.0000 0.0000 34093.9260 -149398.5763 297.7507 -183492.5024 -149306.8591 298.4227 -182.0933 -157.1644 558694.7809 0.1063 -0.0048 PRESSURE: 2241400 31.9619 -47.4115 -30.4063 -47.412 -82.2193 -51.1261 -30.4054 -51.1264 -107.536 GPRESSURE: 2241400 92.5614 -124.218 -31.0428 -18.8535 -49.192 -16.7295 35.1168 -47.7755 -94.3489 PRESSAVG: 2241400 -43.3318 -53.3227 -4.58987 -53.3226 -4.65398 13.7412 -4.58991 13.7411 25.0182 GPRESSAVG: 2241400 -43.38 -51.7101 -2.01749 -54.1098 -4.12008 15.2911 -5.28322 14.4528 24.6566 TIMING: 2241400 CPU: 6673.8, 0.00299388/step Wall: 6673.8, 0.00299388/step, 2.29415 hours remaining, 206.710938 MB of memory in use. ENERGY: 2241400 736.5231 2089.8448 1962.2784 100.2741 -206379.0988 17904.4723 0.0000 0.0000 34040.1716 -149545.5346 297.2813 -183585.7062 -149448.5817 298.6233 -52.5979 -16.9931 558234.2400 -7.6559 -7.6145 PRESSURE: 2241600 113.816 -75.7623 -46.6361 -75.7626 -295.001 4.08281 -46.6355 4.0832 288.429 GPRESSURE: 2241600 144.445 -57.718 -3.63517 -126.672 -291.64 48.1531 -79.1661 -61.6917 340.852 PRESSAVG: 2241600 -6.04799 3.749 27.477 3.74908 -2.50717 4.37987 27.4769 4.3799 19.9424 GPRESSAVG: 2241600 -5.80797 2.37612 25.9443 4.11725 -1.85963 5.01173 28.6588 5.55331 19.4001 TIMING: 2241600 CPU: 6674.4, 0.00296922/step Wall: 6674.4, 0.00296922/step, 2.27508 hours remaining, 206.710938 MB of memory in use. ENERGY: 2241600 752.7573 2056.2004 1962.1546 118.5173 -206384.3072 17911.7742 0.0000 0.0000 33990.3237 -149592.5798 296.8460 -183582.9034 -149508.2168 298.2433 35.7480 64.5525 558536.8587 3.7957 3.9108 PRESSURE: 2241800 -292.223 54.6007 -39.7572 54.5998 -213.11 68.7407 -39.757 68.7412 -184.953 GPRESSURE: 2241800 -276.452 100.143 -63.7449 34.1352 -174.287 -16.6688 18.0908 129.682 -142.211 PRESSAVG: 2241800 5.69228 -32.5038 -27.332 -32.5039 -12.2432 10.5168 -27.3322 10.5168 31.691 GPRESSAVG: 2241800 6.07037 -33.0301 -27.414 -32.0378 -13.1831 8.20301 -28.0142 10.1337 32.1874 TIMING: 2241800 CPU: 6674.99, 0.0029803/step Wall: 6674.99, 0.0029803/step, 2.28341 hours remaining, 206.710938 MB of memory in use. ENERGY: 2241800 747.6692 2093.0479 1944.7208 123.5025 -206188.8065 17723.2342 0.0000 0.0000 33853.7490 -149702.8828 295.6532 -183556.6318 -149610.5891 297.8426 -230.0956 -197.6500 559372.9448 8.3800 8.3582 PRESSURE: 2242000 -129.722 98.1114 -116.929 98.1107 -26.1636 67.8796 -116.929 67.8803 -23.3721 GPRESSURE: 2242000 -133.773 126.05 -170.825 89.6328 52.2621 -41.5589 -127.515 107.033 -7.93613 PRESSAVG: 2242000 -22.7193 48.8373 -47.5458 48.8373 -21.2978 56.1111 -47.5458 56.1111 6.37295 GPRESSAVG: 2242000 -23.1594 50.1151 -46.8047 46.9707 -20.9409 56.0172 -47.5572 56.7765 6.59548 TIMING: 2242000 CPU: 6675.59, 0.00300754/step Wall: 6675.59, 0.00300754/step, 2.30411 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: 2242000 750.8799 2050.7143 1938.9349 124.5090 -206355.3347 17843.5069 0.0000 0.0000 34010.0347 -149636.7549 297.0181 -183646.7897 -149539.3703 297.7302 -59.7527 -29.8157 558203.8750 -12.5480 -12.5016 PRESSURE: 2242200 -79.9008 168.153 -17.9976 168.151 54.0509 -32.5444 -17.9982 -32.5453 -9.13917 GPRESSURE: 2242200 -50.8668 144.105 35.6366 267.273 133.405 -29.3867 -55.9725 -59.1273 -13.2658 PRESSAVG: 2242200 -3.65507 51.7841 -30.7133 51.784 19.6466 69.2791 -30.7132 69.2791 -28.906 GPRESSAVG: 2242200 -5.21272 51.2896 -32.0373 54.6322 19.8906 69.3174 -28.3578 68.3489 -27.8672 TIMING: 2242200 CPU: 6676.2, 0.00300498/step Wall: 6676.2, 0.00300498/step, 2.30198 hours remaining, 206.710938 MB of memory in use. ENERGY: 2242200 720.1381 2110.2430 1935.5083 113.1278 -206541.3169 17920.5346 0.0000 0.0000 34118.8908 -149622.8742 297.9688 -183741.7651 -149529.3488 298.2881 -11.6630 23.0907 557553.4737 -4.3048 -4.3964 PRESSURE: 2242400 -95.1234 9.09804 6.35039 9.09776 -242.134 80.8574 6.35109 80.8578 -63.6701 GPRESSURE: 2242400 -96.2564 -12.3713 -35.5411 49.1763 -189.042 62.1849 42.5673 69.0779 -17.3756 PRESSAVG: 2242400 -39.7909 15.4641 62.2933 15.4641 3.67912 29.6296 62.2933 29.6296 -7.69122 GPRESSAVG: 2242400 -38.3018 16.5115 64.1621 12.027 3.88883 32.1251 61.3604 28.2839 -9.17584 TIMING: 2242400 CPU: 6676.79, 0.00298482/step Wall: 6676.79, 0.00298482/step, 2.28637 hours remaining, 206.710938 MB of memory in use. ENERGY: 2242400 748.8454 2056.0307 1949.1521 103.6346 -206238.8980 17823.8076 0.0000 0.0000 33948.5240 -149608.9037 296.4809 -183557.4277 -149505.2509 298.1032 -133.6426 -100.8914 559557.4303 -14.6010 -14.5296 PRESSURE: 2242600 -154.722 -62.2228 -8.77897 -62.2226 -225.686 -61.7576 -8.77931 -61.7571 -7.09419 GPRESSURE: 2242600 -129.565 -24.5839 60.1776 -131.134 -186.628 -82.1751 94.8341 -186.843 28.536 PRESSAVG: 2242600 22.6191 10.2115 -19.407 10.2115 -1.17926 -44.0835 -19.407 -44.0837 26.5359 GPRESSAVG: 2242600 22.0794 9.03028 -17.815 10.337 -0.908139 -45.8996 -19.9521 -44.0768 26.5561 TIMING: 2242600 CPU: 6677.39, 0.00299334/step Wall: 6677.39, 0.00299334/step, 2.29273 hours remaining, 206.710938 MB of memory in use. ENERGY: 2242600 727.2982 2082.1902 1959.4824 106.2945 -206023.1637 17636.7628 0.0000 0.0000 34024.6700 -149486.4656 297.1459 -183511.1356 -149398.3052 298.8626 -129.1674 -95.8855 557785.1665 15.9919 15.9091 PRESSURE: 2242800 176.648 -145.941 43.166 -145.942 -262.398 48.2471 43.1658 48.2475 -5.69842 GPRESSURE: 2242800 197.668 -66.3619 44.0463 -172.449 -246.118 91.2183 42.5582 -12.1217 47.7028 PRESSAVG: 2242800 48.0083 -79.4566 -7.62132 -79.4566 -4.19062 -27.3228 -7.62126 -27.3228 -44.8541 GPRESSAVG: 2242800 47.7129 -79.5976 -10.0381 -75.8897 -5.30779 -27.0368 -8.20731 -25.5712 -44.3429 TIMING: 2242800 CPU: 6678, 0.00303164/step Wall: 6678, 0.00303164/step, 2.3219 hours remaining, 206.710938 MB of memory in use. ENERGY: 2242800 738.8135 2101.8549 1933.4134 107.8034 -206365.7087 17795.5668 0.0000 0.0000 34253.4027 -149434.8541 299.1435 -183688.2567 -149347.2951 298.4306 -30.4827 -0.2493 557169.3387 -0.3455 -0.6459 PRESSURE: 2243000 130.603 -77.9726 -171.248 -77.972 80.5278 -57.9319 -171.247 -57.9316 -331.918 GPRESSURE: 2243000 193.507 -79.9272 -244.175 -108.271 73.4744 -49.6043 -110.048 -56.1824 -299.954 PRESSAVG: 2243000 67.3684 -19.5967 -82.5179 -19.5967 -21.7457 5.1922 -82.5178 5.19217 -65.3099 GPRESSAVG: 2243000 67.0777 -19.5244 -82.886 -19.7413 -21.2779 5.87146 -83.2223 3.38184 -65.4349 TIMING: 2243000 CPU: 6678.6, 0.00299683/step Wall: 6678.6, 0.00299683/step, 2.29507 hours remaining, 206.710938 MB of memory in use. ENERGY: 2243000 750.3799 2023.6284 1932.5387 118.5700 -206150.7020 17716.9042 0.0000 0.0000 34387.2428 -149221.4380 300.3123 -183608.6808 -149122.0535 299.0849 -40.2623 -10.9910 557766.8848 -6.5624 -6.5450 PRESSURE: 2243200 218.855 -146.801 43.1287 -146.8 108.413 65.583 43.1288 65.5833 -12.2762 GPRESSURE: 2243200 248.609 -114.683 128.981 -133.865 90.5356 83.4979 63.2795 61.7701 68.8828 PRESSAVG: 2243200 64.2981 -7.50429 -21.0658 -7.50422 31.4388 2.15061 -21.0658 2.15062 -46.3482 GPRESSAVG: 2243200 64.2345 -8.55879 -21.7101 -6.11405 30.5553 0.537592 -18.5377 3.95454 -45.3124 TIMING: 2243200 CPU: 6679.2, 0.00299295/step Wall: 6679.2, 0.00299295/step, 2.29193 hours remaining, 206.710938 MB of memory in use. ENERGY: 2243200 750.3154 2068.8310 1937.8347 102.3604 -206549.6220 17951.2719 0.0000 0.0000 34542.5363 -149196.4722 301.6686 -183739.0085 -149102.9315 299.6885 104.9972 136.0090 557274.9107 16.4629 16.4925 PRESSURE: 2243400 28.6088 -0.967772 -133.224 -0.967395 -179.997 -63.0354 -133.225 -63.0362 -9.67091 GPRESSURE: 2243400 51.9592 -10.259 -150.584 -31.2205 -102.222 34.357 -68.8518 -176.649 -19.2368 PRESSAVG: 2243400 25.157 -33.0235 16.8915 -33.0235 46.4636 2.74364 16.8915 2.74371 -53.2523 GPRESSAVG: 2243400 24.3285 -30.8588 15.7933 -34.3167 47.3603 4.38254 16.46 2.09156 -53.7507 TIMING: 2243400 CPU: 6679.8, 0.00299963/step Wall: 6679.8, 0.00299963/step, 2.29688 hours remaining, 206.710938 MB of memory in use. ENERGY: 2243400 717.5893 2119.0329 1958.7560 119.7005 -206022.9602 17779.0897 0.0000 0.0000 34336.9237 -148991.8681 299.8729 -183328.7919 -148893.2836 300.2682 -53.6864 -23.1664 559098.8811 6.1228 5.9794 PRESSURE: 2243600 178.542 266.974 30.0655 266.975 -53.5351 -58.747 30.0647 -58.7465 -231.339 GPRESSURE: 2243600 255.291 297.556 121.692 245.855 -65.1981 -62.4466 -127.633 -56.7653 -210.368 PRESSAVG: 2243600 -0.963276 0.895979 -4.76029 0.896007 68.3963 -17.9814 -4.76023 -17.9813 -43.1397 GPRESSAVG: 2243600 -1.2071 -0.81814 -2.25867 1.24467 67.7548 -19.1366 -5.55112 -18.0674 -42.6636 TIMING: 2243600 CPU: 6680.4, 0.00300046/step Wall: 6680.4, 0.00300046/step, 2.29735 hours remaining, 206.710938 MB of memory in use. ENERGY: 2243600 766.3230 2132.1942 1954.7901 107.7653 -206227.9059 17831.3354 0.0000 0.0000 34541.9977 -148893.5003 301.6639 -183435.4980 -148799.8180 300.6851 -35.4442 -6.7582 558368.5738 8.0978 7.9614 PRESSURE: 2243800 -7.20005 149.741 -87.4169 149.741 -45.4449 -20.4564 -87.4165 -20.4571 -112.649 GPRESSURE: 2243800 49.8199 134.863 -55.6002 199.453 3.83001 11.3077 -133.788 -10.7827 -122.958 PRESSAVG: 2243800 31.4558 61.7669 -56.1228 61.7668 -15.9729 16.0139 -56.1228 16.014 -20.2602 GPRESSAVG: 2243800 32.4249 62.0761 -57.0446 59.9498 -15.7825 15.646 -55.4848 15.4212 -21.9784 TIMING: 2243800 CPU: 6680.99, 0.00297745/step Wall: 6680.99, 0.00297745/step, 2.27957 hours remaining, 206.710938 MB of memory in use. ENERGY: 2243800 763.1363 2041.2341 1956.6931 119.0919 -206362.4596 17807.2098 0.0000 0.0000 34484.7944 -149190.3001 301.1643 -183675.0944 -149084.1172 299.6963 -55.0979 -23.1028 558560.3905 -1.5924 -1.7786 PRESSURE: 2244000 40.8983 -70.6377 82.7972 -70.6355 134.986 -194.582 82.7975 -194.581 142.53 GPRESSURE: 2244000 65.8216 -126.495 138.616 13.8573 181.058 -75.6973 86.5848 -239.088 155.112 PRESSAVG: 2244000 63.442 41.0762 -19.2698 41.0762 7.85796 -12.657 -19.2697 -12.657 -56.9695 GPRESSAVG: 2244000 63.2055 42.0384 -17.5664 41.5495 7.84029 -10.1191 -21.7114 -11.8609 -56.9393 TIMING: 2244000 CPU: 6681.59, 0.00298647/step Wall: 6681.59, 0.00298647/step, 2.28631 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: 2244000 727.8727 2153.8089 1940.6440 123.7538 -206014.7560 17785.4234 0.0000 0.0000 34094.4165 -149188.8368 297.7550 -183283.2533 -149092.4327 299.8454 106.1381 133.9972 556310.1638 4.7768 4.7022 PRESSURE: 2244200 89.9091 159.066 -47.8966 159.067 -113.138 19.7804 -47.8966 19.7804 31.7738 GPRESSURE: 2244200 113.758 195.87 -26.2915 107.768 -68.9757 52.4335 -30.0388 11.7807 77.2495 PRESSAVG: 2244200 73.745 48.9426 57.8705 48.9426 -72.1235 16.2362 57.8705 16.2364 -1.62129 GPRESSAVG: 2244200 75.0198 46.7099 56.8099 47.9312 -72.6344 15.3442 59.0262 14.3493 -2.41126 TIMING: 2244200 CPU: 6682.18, 0.00296504/step Wall: 6682.18, 0.00296504/step, 2.26974 hours remaining, 206.710938 MB of memory in use. ENERGY: 2244200 727.1865 2064.5538 1940.1861 126.8159 -206291.0956 17880.5363 0.0000 0.0000 34338.3833 -149213.4336 299.8856 -183551.8169 -149113.9982 299.2824 2.8484 40.6772 556063.1752 0.0001 -0.0086 LDB: ============= START OF LOAD BALANCING ============== 6685.61 LDB: ============== END OF LOAD BALANCING =============== 6685.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6685.61 LDB: ============= START OF LOAD BALANCING ============== 6685.91 LDB: Largest compute 4849 load 0.026769 is 22.7% of average load 0.118077 LDB: Average compute 0.001722 is 1.5% of average load 0.118077 LDB: TIME 6685.91 LOAD: AVG 0.118077 MAX 0.199636 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.055 MB LDB: TIME 6685.91 LOAD: AVG 0.118077 MAX 0.199636 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.258 MB LDB: TIME 6685.91 LOAD: AVG 0.118077 MAX 0.199636 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6685.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6685.92 PRESSURE: 2244400 376.468 33.4069 18.2833 33.4066 247.088 166.072 18.2833 166.074 63.1455 GPRESSURE: 2244400 373.23 112.73 10.6704 -2.65418 302.852 255.872 1.54984 104.835 107.284 PRESSAVG: 2244400 -2.94865 28.446 9.12165 28.446 -10.1498 14.7136 9.1216 14.7137 42.9152 GPRESSAVG: 2244400 -3.20837 27.9746 9.94977 33.0741 -10.2146 12.9106 8.97351 14.8156 43.6626 TIMING: 2244400 CPU: 6682.79, 0.00303913/step Wall: 6682.79, 0.00303913/step, 2.32629 hours remaining, 206.511719 MB of memory in use. ENERGY: 2244400 716.0368 2111.5335 1950.3198 113.8818 -206509.0341 18046.3841 0.0000 0.0000 34343.3396 -149227.5385 299.9289 -183570.8781 -149135.7855 300.0498 228.9006 261.1219 555447.3361 9.9389 10.0799 PRESSURE: 2244600 242.269 168.793 95.9588 168.794 194.384 -103.116 95.9587 -103.116 391.636 GPRESSURE: 2244600 290.134 87.6698 9.76808 180.056 220.636 -76.2792 136.662 -58.6819 413.128 PRESSAVG: 2244600 29.7794 80.9835 45.2021 80.9835 -80.9621 29.0143 45.2021 29.0143 40.4255 GPRESSAVG: 2244600 30.6403 83.5072 43.8103 78.0615 -80.0926 30.883 45.6785 30.8276 39.097 TIMING: 2244600 CPU: 6683.39, 0.00298199/step Wall: 6683.39, 0.00298199/step, 2.28238 hours remaining, 206.511719 MB of memory in use. ENERGY: 2244600 713.2939 2101.4053 1938.4062 120.7854 -206884.4512 18298.6228 0.0000 0.0000 34445.6738 -149266.2637 300.8226 -183711.9376 -149172.5033 299.5826 276.0965 307.9661 556442.9734 -3.5857 -3.4518 PRESSURE: 2244800 349.575 -8.93303 -159.248 -8.9343 -72.2073 -28.982 -159.247 -28.982 173.294 GPRESSURE: 2244800 371.163 -58.1419 -73.1785 9.20625 -27.0559 -57.667 -140.299 -49.224 206.883 PRESSAVG: 2244800 24.209 -33.0006 18.2196 -33.0007 -65.599 13.2918 18.2196 13.2916 22.3802 GPRESSAVG: 2244800 23.1102 -31.7858 18.3998 -31.5799 -66.9906 11.7331 17.5816 14.8293 24.842 TIMING: 2244800 CPU: 6683.98, 0.00299116/step Wall: 6683.98, 0.00299116/step, 2.28924 hours remaining, 206.511719 MB of memory in use. ENERGY: 2244800 744.8314 2079.9095 1899.1677 113.9571 -206559.2954 18175.5846 0.0000 0.0000 34187.6697 -149358.1753 298.5694 -183545.8450 -149260.4465 299.1599 150.2204 183.6631 557504.5561 -6.3366 -6.3461 PRESSURE: 2245000 104.452 -94.0352 -70.7503 -94.035 1.32651 50.8966 -70.7499 50.8976 245.088 GPRESSURE: 2245000 133.21 -84.2679 -139.178 -6.57333 27.1022 58.4491 -97.4865 -42.4736 281.227 PRESSAVG: 2245000 78.4407 -1.79961 -31.0186 -1.79966 -37.2827 27.5894 -31.0186 27.5894 -40.7474 GPRESSAVG: 2245000 78.725 -3.56351 -31.2709 -2.39702 -36.8393 28.8658 -30.5934 26.3783 -41.293 TIMING: 2245000 CPU: 6684.58, 0.00298082/step Wall: 6684.58, 0.00298082/step, 2.28116 hours remaining, 206.511719 MB of memory in use. ENERGY: 2245000 772.0243 2070.9078 1910.4486 114.6808 -206951.3520 18214.8831 0.0000 0.0000 34472.1418 -149396.2656 301.0538 -183868.4074 -149307.3074 299.1796 116.9554 147.1799 556695.2687 0.1368 0.1976 PRESSURE: 2245200 -317.043 39.5383 -100.251 39.5376 -190.181 86.872 -100.251 86.8715 -381.447 GPRESSURE: 2245200 -286.459 11.2673 -226.149 44.6169 -173.749 62.8543 -54.3989 71.1106 -343.882 PRESSAVG: 2245200 -26.9881 29.3226 -3.98213 29.3226 17.8169 -1.11589 -3.98209 -1.11586 18.6643 GPRESSAVG: 2245200 -25.9477 28.5766 -5.51285 30.7697 17.887 -3.77853 -4.2084 -0.456873 17.6266 TIMING: 2245200 CPU: 6685.18, 0.00299546/step Wall: 6685.18, 0.00299546/step, 2.2922 hours remaining, 206.511719 MB of memory in use. ENERGY: 2245200 744.6409 2080.3461 1940.1953 104.6069 -206095.1253 17458.1913 0.0000 0.0000 34203.8680 -149563.2768 298.7109 -183767.1448 -149462.2931 298.4299 -296.2235 -268.0299 559750.4658 3.1644 3.1886 PRESSURE: 2245400 13.8949 174.952 29.0349 174.951 29.7982 -60.454 29.0365 -60.4539 -193.3 GPRESSURE: 2245400 101.232 184.39 122.326 126.882 -18.7838 -13.2693 -5.41368 -106.525 -140.108 PRESSAVG: 2245400 68.3649 -22.7121 22.8412 -22.712 -44.4993 13.7813 22.8412 13.7815 -22.3308 GPRESSAVG: 2245400 67.748 -24.4697 25.225 -22.6712 -44.8918 16.2949 22.1133 12.1012 -21.5315 TIMING: 2245400 CPU: 6685.78, 0.00299891/step Wall: 6685.78, 0.00299891/step, 2.29467 hours remaining, 206.511719 MB of memory in use. ENERGY: 2245400 744.6597 2018.1269 1934.3765 104.7637 -206441.9465 17824.5746 0.0000 0.0000 34072.0730 -149743.3722 297.5599 -183815.4452 -149641.8910 297.7991 -49.8690 -19.2200 558040.0677 0.5116 0.4416 PRESSURE: 2245600 -9.72616 -131.551 96.1197 -131.551 -27.0687 46.6789 96.1202 46.6801 -146.085 GPRESSURE: 2245600 35.5086 -161.233 102.418 -122.916 11.2325 83.2448 124.675 57.9292 -126.833 PRESSAVG: 2245600 14.2281 4.42196 48.9197 4.42197 -43.7495 50.5285 48.9198 50.5285 21.9641 GPRESSAVG: 2245600 14.449 5.18541 46.7487 4.26413 -44.0806 48.4467 49.5923 52.6135 22.0189 TIMING: 2245600 CPU: 6686.38, 0.00300891/step Wall: 6686.38, 0.00300891/step, 2.30215 hours remaining, 206.511719 MB of memory in use. ENERGY: 2245600 738.2547 2101.7081 1911.7973 106.6651 -206664.9309 18066.7751 0.0000 0.0000 34262.3390 -149477.3917 299.2215 -183739.7307 -149385.4352 297.9691 -60.9601 -26.6974 557328.3576 -2.5191 -2.5376 PRESSURE: 2245800 24.4624 55.7905 148.116 55.7904 -18.8724 340.487 148.116 340.489 -87.4184 GPRESSURE: 2245800 78.9112 60.8116 105.781 112.31 31.0377 247.593 164.688 330.324 -105.982 PRESSAVG: 2245800 78.2515 4.44426 -3.79751 4.44419 3.14792 19.5904 -3.79752 19.5905 -22.7416 GPRESSAVG: 2245800 77.3769 5.34452 -4.39101 3.75052 3.61234 20.2806 -2.91017 20.9692 -22.3683 TIMING: 2245800 CPU: 6686.98, 0.00299251/step Wall: 6686.98, 0.00299251/step, 2.28944 hours remaining, 206.511719 MB of memory in use. ENERGY: 2245800 759.6787 2107.9125 1934.4836 106.8406 -206755.9478 17953.9683 0.0000 0.0000 34556.1598 -149336.9044 301.7875 -183893.0643 -149246.7627 299.4191 -27.2761 1.3222 559027.1386 19.5526 19.5403 PRESSURE: 2246000 -33.6559 -110.474 -141.692 -110.475 29.7226 -105.687 -141.691 -105.686 90.7987 GPRESSURE: 2246000 -65.1757 -94.5629 -163.646 -135.289 96.6611 -169.11 -124.972 -60.3231 155.418 PRESSAVG: 2246000 -19.66 7.58171 -10.6024 7.58171 30.3137 25.0246 -10.6022 25.0245 -24.9778 GPRESSAVG: 2246000 -18.3656 7.93022 -9.8756 7.11779 30.0365 23.1307 -10.7631 24.4915 -26.3608 TIMING: 2246000 CPU: 6687.57, 0.00296375/step Wall: 6687.57, 0.00296375/step, 2.26727 hours remaining, 206.511719 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 723.1569 2097.4081 1929.2511 111.4120 -206315.5708 17882.4329 0.0000 0.0000 34091.8021 -149480.1077 297.7322 -183571.9098 -149386.2834 298.9419 28.9552 62.3010 558142.5938 -4.7747 -4.8966 PRESSURE: 2246200 -133.509 -112.021 120.402 -112.022 97.0603 -70.3472 120.402 -70.3459 26.3433 GPRESSURE: 2246200 -107.366 -83.2821 125.318 -80.1653 99.0657 -132.403 199.676 -38.5865 89.8318 PRESSAVG: 2246200 18.9936 -76.398 -0.664102 -76.398 -45.1321 -7.16585 -0.664019 -7.16585 11.8327 GPRESSAVG: 2246200 18.2095 -76.0367 0.884106 -76.371 -44.9701 -5.82573 -1.15426 -7.91452 12.015 TIMING: 2246200 CPU: 6688.17, 0.00298727/step Wall: 6688.17, 0.00298727/step, 2.28509 hours remaining, 206.511719 MB of memory in use. ENERGY: 2246200 774.9315 2066.5421 1932.8619 98.0421 -206492.2394 17912.3934 0.0000 0.0000 34208.3578 -149499.1105 298.7501 -183707.4684 -149402.8052 298.1193 -3.3683 27.1771 557119.4546 -4.7686 -4.9152 PRESSURE: 2246400 201.201 91.0082 -76.9223 91.0061 -62.6387 42.0581 -76.9221 42.0594 59.9124 GPRESSURE: 2246400 231.482 129.446 -113.704 61.1291 -95.7101 8.60483 -42.6064 31.562 155.181 PRESSAVG: 2246400 37.0619 -27.3272 -1.25293 -27.3273 -27.6764 -6.30385 -1.25287 -6.30378 52.6951 GPRESSAVG: 2246400 36.8479 -29.2297 -2.34204 -26.7882 -27.631 -5.47254 -0.304061 -8.96489 53.1864 TIMING: 2246400 CPU: 6688.76, 0.00297161/step Wall: 6688.76, 0.00297161/step, 2.27295 hours remaining, 206.511719 MB of memory in use. ENERGY: 2246400 798.0683 2045.8246 1944.1335 121.6554 -206616.4248 18058.3521 0.0000 0.0000 34338.8189 -149309.5720 299.8894 -183648.3909 -149212.6130 299.0092 66.1583 96.9844 556782.5164 20.6935 20.8011 PRESSURE: 2246600 -266.475 88.7377 -65.5006 88.7362 169.065 -50.8463 -65.5005 -50.8472 -46.5197 GPRESSURE: 2246600 -202.476 12.2962 7.38017 79.5263 221.439 -109.399 -86.8442 -51.8528 -58.5239 PRESSAVG: 2246600 1.54794 -7.77892 15.7221 -7.77887 -15.322 -19.2971 15.7221 -19.2971 0.783901 GPRESSAVG: 2246600 1.42264 -5.03847 16.993 -6.52556 -16.0053 -16.9878 13.7543 -19.8324 0.614682 TIMING: 2246600 CPU: 6689.36, 0.00296314/step Wall: 6689.36, 0.00296314/step, 2.26631 hours remaining, 206.511719 MB of memory in use. ENERGY: 2246600 741.2980 2147.8866 1930.3854 106.2129 -206199.5191 17767.4013 0.0000 0.0000 34173.4545 -149332.8805 298.4453 -183506.3349 -149244.4289 299.1596 -47.9765 -13.1871 557802.3882 -4.3300 -4.6560 PRESSURE: 2246800 47.9957 -229.278 -20.5913 -229.279 -93.1395 -77.2753 -20.5893 -77.2762 -208.306 GPRESSURE: 2246800 64.6317 -146.291 1.78671 -186.228 -72.1559 -87.7413 -133.359 -129.211 -164.654 PRESSAVG: 2246800 77.6587 -57.3794 28.0895 -57.3794 -27.8626 -46.5358 28.0895 -46.5358 -70.3645 GPRESSAVG: 2246800 77.3198 -56.2529 27.6952 -58.7132 -27.2771 -52.0925 29.1115 -42.2931 -70.7749 TIMING: 2246800 CPU: 6689.95, 0.00298675/step Wall: 6689.95, 0.00298675/step, 2.2842 hours remaining, 206.511719 MB of memory in use. ENERGY: 2246800 714.6547 2039.9039 1965.7514 110.7691 -206135.4798 17702.7765 0.0000 0.0000 34102.9152 -149498.7091 297.8292 -183601.6243 -149402.7708 298.7281 -84.4834 -57.3926 556758.4017 -6.8562 -6.9107 PRESSURE: 2247000 -40.2017 -10.7667 76.4131 -10.7671 19.7627 -89.6097 76.4137 -89.6089 44.0673 GPRESSURE: 2247000 72.7177 -21.2772 91.1951 -0.990398 9.41901 -88.9529 97.2719 -124.428 46.7048 PRESSAVG: 2247000 34.4779 28.8239 27.3117 28.824 -72.9008 -30.2139 27.3117 -30.2139 43.3716 GPRESSAVG: 2247000 35.8671 24.8203 27.5743 30.4614 -74.5215 -28.777 25.3994 -31.294 43.5418 TIMING: 2247000 CPU: 6690.55, 0.00299162/step Wall: 6690.55, 0.00299162/step, 2.28776 hours remaining, 206.511719 MB of memory in use. ENERGY: 2247000 778.1138 2111.0211 1916.0059 117.5464 -206249.7644 17895.6812 0.0000 0.0000 34103.5747 -149327.8214 297.8350 -183431.3960 -149238.1020 299.1823 7.8761 42.9472 556473.5537 1.6496 1.6291 PRESSURE: 2247200 -106.571 -73.4356 109.279 -73.4355 -261.781 -74.9197 109.28 -74.9201 -154.333 GPRESSURE: 2247200 -67.6188 -24.4086 92.0423 -78.2042 -212.611 -78.7087 70.3216 -42.2836 -156.412 PRESSAVG: 2247200 18.7274 5.76267 31.1915 5.76257 -30.9601 -0.997118 31.1914 -0.997085 3.06589 GPRESSAVG: 2247200 18.7412 9.34182 28.5089 4.57943 -31.4708 0.568653 34.3201 -0.34198 2.89975 TIMING: 2247200 CPU: 6691.15, 0.0029864/step Wall: 6691.15, 0.0029864/step, 2.2836 hours remaining, 206.511719 MB of memory in use. ENERGY: 2247200 771.4739 2137.9802 1922.4231 116.3751 -206225.9333 17671.2418 0.0000 0.0000 34359.7058 -149246.7334 300.0719 -183606.4392 -149146.6725 298.7265 -174.2282 -145.5472 556542.9699 -3.0556 -3.2766 PRESSURE: 2247400 70.8237 33.3711 97.7514 33.371 -50.981 -2.78442 97.752 -2.78517 25.2274 GPRESSURE: 2247400 74.4834 -47.3467 104.939 153.525 3.41252 33.9051 166.931 -23.482 65.1225 PRESSAVG: 2247400 38.098 -28.2735 64.1305 -28.2735 -22.2796 19.5772 64.1303 19.5772 6.08573 GPRESSAVG: 2247400 36.8301 -30.3739 63.4415 -27.5914 -21.8703 19.3338 65.184 16.6967 6.90412 TIMING: 2247400 CPU: 6691.75, 0.00301878/step Wall: 6691.75, 0.00301878/step, 2.30819 hours remaining, 206.511719 MB of memory in use. ENERGY: 2247400 771.9620 2124.3292 1945.4773 108.0305 -206396.0612 17959.0107 0.0000 0.0000 34391.4944 -149095.7572 300.3495 -183487.2516 -149001.1321 299.1659 15.0234 47.6728 557201.4496 7.3014 7.2880 PRESSURE: 2247600 184.745 -84.2514 -33.6418 -84.2523 -61.6149 62.1526 -33.6419 62.1524 -58.4294 GPRESSURE: 2247600 195.944 -51.6782 -69.9306 -38.0339 8.1469 32.6812 4.56207 97.9669 -35.4647 PRESSAVG: 2247600 72.6665 13.9431 2.22213 13.943 -19.5192 37.9385 2.22221 37.9387 -70.7616 GPRESSAVG: 2247600 73.1214 13.6894 4.47453 14.5189 -18.8191 36.6482 -0.28011 40.0084 -71.6011 TIMING: 2247600 CPU: 6692.35, 0.00299075/step Wall: 6692.35, 0.00299075/step, 2.28659 hours remaining, 206.511719 MB of memory in use. ENERGY: 2247600 772.0003 2070.0952 1976.1732 122.8177 -206428.2173 17968.9742 0.0000 0.0000 34366.0654 -149152.0913 300.1274 -183518.1567 -149051.2334 300.0827 21.5669 56.2087 555949.7590 -5.8714 -5.7663 PRESSURE: 2247800 -205.928 95.484 8.66025 95.4833 -144.468 -44.2874 8.66048 -44.2869 -367.328 GPRESSURE: 2247800 -179.634 169.462 4.95335 108.871 -158.063 -29.1104 51.9833 -13.725 -290.435 PRESSAVG: 2247800 81.1797 -48.8843 -26.9282 -48.8844 -9.94068 -10.0279 -26.9282 -10.0278 -93.778 GPRESSAVG: 2247800 79.8776 -47.3287 -27.5977 -50.968 -8.28682 -11.367 -27.4156 -9.74569 -93.7386 TIMING: 2247800 CPU: 6692.95, 0.0030024/step Wall: 6692.95, 0.0030024/step, 2.29533 hours remaining, 206.511719 MB of memory in use. ENERGY: 2247800 776.9900 2136.2337 1992.1519 100.8117 -205704.0187 17371.5878 0.0000 0.0000 34310.1293 -149016.1143 299.6389 -183326.2436 -148924.1717 299.5187 -239.2412 -209.3772 558349.2936 -7.5130 -7.3826 PRESSURE: 2248000 120.743 11.3436 -41.0028 11.3434 111.303 -117.435 -41.0033 -117.434 107.451 GPRESSURE: 2248000 136.952 52.1168 -5.29483 31.983 116.016 -160.011 -80.8541 -150.962 184.559 PRESSAVG: 2248000 65.2934 -18.2798 35.8335 -18.2799 -4.00481 -16.6037 35.8335 -16.6038 -12.7275 GPRESSAVG: 2248000 66.8212 -19.743 37.1012 -15.8951 -5.3364 -13.6353 35.5285 -18.6855 -12.9453 TIMING: 2248000 CPU: 6693.55, 0.00300609/step Wall: 6693.55, 0.00300609/step, 2.29799 hours remaining, 206.511719 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 759.4527 2108.9859 1948.3653 115.0306 -206185.1224 17736.6879 0.0000 0.0000 34487.9770 -149028.6230 301.1921 -183516.6001 -148926.9974 300.0524 113.1656 145.8424 555299.9001 16.1870 16.1798 PRESSURE: 2248200 -98.161 52.4779 -121.424 52.4778 -139.6 -22.4616 -121.424 -22.4624 -266.354 GPRESSURE: 2248200 -6.58892 70.6346 -89.7252 73.4838 -151.811 -44.4351 -145.713 -33.3431 -229.429 PRESSAVG: 2248200 -11.0726 66.0289 6.1966 66.029 -2.72819 -81.4719 6.19659 -81.472 -43.007 GPRESSAVG: 2248200 -10.2339 67.2854 5.38136 62.6866 -2.61852 -81.0477 8.44734 -81.7728 -43.7814 TIMING: 2248200 CPU: 6694.15, 0.00299514/step Wall: 6694.15, 0.00299514/step, 2.28945 hours remaining, 206.511719 MB of memory in use. ENERGY: 2248200 764.7746 2122.2880 1930.0212 114.6954 -205809.5423 17476.6298 0.0000 0.0000 34248.4461 -149152.6872 299.1002 -183401.1333 -149061.4628 299.9025 -168.0384 -129.2764 556627.2135 -18.9359 -18.8780 LDB: ============= START OF LOAD BALANCING ============== 6697.58 LDB: ============== END OF LOAD BALANCING =============== 6697.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6697.58 LDB: ============= START OF LOAD BALANCING ============== 6697.88 LDB: Largest compute 4849 load 0.026342 is 22.3% of average load 0.118063 LDB: Average compute 0.001719 is 1.5% of average load 0.118063 LDB: TIME 6697.88 LOAD: AVG 0.118063 MAX 0.204401 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.027 MB LDB: TIME 6697.88 LOAD: AVG 0.118063 MAX 0.204401 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.031 MB LDB: TIME 6697.88 LOAD: AVG 0.118063 MAX 0.204401 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6697.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6697.89 PRESSURE: 2248400 -462.516 45.7537 -65.5904 45.7529 -89.4424 -67.9285 -65.59 -67.9277 -183.078 GPRESSURE: 2248400 -399.016 -24.0082 -20.8561 55.592 -84.0075 -63.7572 -70.9854 -67.3787 -157.327 PRESSAVG: 2248400 -19.2167 74.28 -38.8459 74.28 10.9642 -54.0601 -38.846 -54.06 -11.2547 GPRESSAVG: 2248400 -20.3794 75.0624 -36.7755 76.5329 11.0407 -52.972 -41.0904 -53.9807 -10.4506 TIMING: 2248400 CPU: 6694.76, 0.00304877/step Wall: 6694.76, 0.00304877/step, 2.33028 hours remaining, 205.027344 MB of memory in use. ENERGY: 2248400 767.6855 2065.8338 1950.1516 111.2164 -205946.9230 17428.0887 0.0000 0.0000 34416.9096 -149207.0374 300.5714 -183623.9470 -149108.5366 299.0909 -245.0123 -213.4504 558217.7981 -6.5024 -6.5964 PRESSURE: 2248600 -120.512 92.3455 -13.1861 92.3475 -59.0461 98.7557 -13.1855 98.7556 -64.0859 GPRESSURE: 2248600 -67.2438 79.9315 44.0985 117.11 -52.2776 69.5957 -54.3801 -1.01024 -14.2208 PRESSAVG: 2248600 34.9232 34.5158 -46.1329 34.5157 56.9722 29.1896 -46.1327 29.1896 -70.2391 GPRESSAVG: 2248600 35.728 32.4233 -46.2916 35.32 56.7788 26.8106 -44.0686 29.4141 -70.793 TIMING: 2248600 CPU: 6695.36, 0.00299693/step Wall: 6695.36, 0.00299693/step, 2.29049 hours remaining, 205.027344 MB of memory in use. ENERGY: 2248600 721.2460 2095.0337 1944.3913 106.1841 -206016.4435 17596.2282 0.0000 0.0000 34299.0159 -149254.3442 299.5418 -183553.3600 -149161.3279 298.9334 -81.2146 -44.5807 558420.1519 7.2188 7.2379 PRESSURE: 2248800 54.4403 -62.8275 -31.355 -62.8279 -101.067 -104.366 -31.3535 -104.366 -56.8816 GPRESSURE: 2248800 124.22 -33.3493 3.13991 -23.344 4.43865 -117.516 -81.5098 -138.931 -121.094 PRESSAVG: 2248800 8.61815 -16.8911 32.8512 -16.8912 45.3385 -60.8296 32.8511 -60.8297 -37.0366 GPRESSAVG: 2248800 8.92413 -16.017 29.9725 -17.6342 44.9569 -59.3431 32.7686 -59.4897 -37.6153 TIMING: 2248800 CPU: 6695.96, 0.00297535/step Wall: 6695.96, 0.00297535/step, 2.27383 hours remaining, 205.027344 MB of memory in use. ENERGY: 2248800 768.1030 2082.0490 1968.4164 110.9156 -206410.3193 17764.8659 0.0000 0.0000 34258.2703 -149457.6992 299.1860 -183715.9695 -149356.7613 299.2236 -34.5026 2.5213 556558.1590 5.6400 5.4219 PRESSURE: 2249000 -52.0748 -7.96036 73.3462 -7.96117 154.471 -208.697 73.3466 -208.695 -43.4291 GPRESSURE: 2249000 -1.72569 18.0336 104.585 -89.3636 173.024 -164.455 64.2633 -220.889 -29.6068 PRESSAVG: 2249000 -14.9421 -49.2495 8.47674 -49.2496 11.966 -35.0564 8.47675 -35.0564 20.7979 GPRESSAVG: 2249000 -16.1774 -49.9751 10.2241 -49.5931 12.0732 -36.7594 6.41818 -35.8172 21.4675 TIMING: 2249000 CPU: 6696.55, 0.00297675/step Wall: 6696.55, 0.00297675/step, 2.27473 hours remaining, 205.027344 MB of memory in use. ENERGY: 2249000 714.7148 2107.4316 1954.0945 102.2747 -206441.9821 17855.4165 0.0000 0.0000 34135.2460 -149572.8041 298.1116 -183708.0501 -149479.0533 298.4292 19.6558 47.2304 556030.9183 5.9406 5.7878 PRESSURE: 2249200 -308.335 -72.4255 -95.2908 -72.4266 -143.327 -88.6834 -95.2907 -88.6823 -164.003 GPRESSURE: 2249200 -293.463 -109.363 -55.4843 -60.8919 -100.498 -83.8758 -85.9205 -93.2561 -121.136 PRESSAVG: 2249200 14.9837 6.03898 -15.7693 6.03899 23.4598 -36.032 -15.7693 -36.032 -25.4709 GPRESSAVG: 2249200 15.5449 4.92678 -16.3437 6.61965 23.1236 -35.6432 -15.781 -35.9638 -25.4201 TIMING: 2249200 CPU: 6697.15, 0.00301578/step Wall: 6697.15, 0.00301578/step, 2.30439 hours remaining, 205.027344 MB of memory in use. ENERGY: 2249200 768.6194 2110.3891 1952.6550 101.0960 -205706.3468 17391.4379 0.0000 0.0000 34114.5877 -149267.5617 297.9312 -183382.1494 -149166.2683 298.5965 -205.2216 -171.6988 559278.2056 4.3242 4.4161 PRESSURE: 2249400 4.3068 -16.0063 164.312 -16.0073 -95.8281 -292.558 164.313 -292.558 310.461 GPRESSURE: 2249400 55.1632 -22.3276 221.104 63.8425 -16.9796 -265.331 194.271 -293.121 270.92 PRESSAVG: 2249400 2.87574 25.35 -28.5524 25.3499 19.8291 -35.1638 -28.5524 -35.1637 -22.5654 GPRESSAVG: 2249400 3.55539 26.3174 -28.0253 25.9898 20.7529 -35.9466 -27.5412 -34.9338 -23.5109 TIMING: 2249400 CPU: 6697.75, 0.00298734/step Wall: 6697.75, 0.00298734/step, 2.28249 hours remaining, 205.027344 MB of memory in use. ENERGY: 2249400 786.5080 2057.0251 1951.6652 116.6357 -206735.4723 18160.3060 0.0000 0.0000 34224.6734 -149438.6588 298.8926 -183663.3322 -149339.0899 298.5396 72.9798 103.0344 559023.6541 0.0465 0.2658 PRESSURE: 2249600 92.9528 254.545 -165.151 254.545 59.2465 117.595 -165.152 117.596 234.083 GPRESSURE: 2249600 104.087 200.076 -202.827 324.243 134.003 33.5668 -203.092 206.445 249.852 PRESSAVG: 2249600 -8.61087 17.8687 37.8628 17.8687 -4.07421 -36.2062 37.8627 -36.2063 -1.08192 GPRESSAVG: 2249600 -8.43342 17.5077 37.9481 17.8551 -4.50957 -33.2107 37.1143 -37.1736 -0.935227 TIMING: 2249600 CPU: 6698.35, 0.00301207/step Wall: 6698.35, 0.00301207/step, 2.30122 hours remaining, 205.027344 MB of memory in use. ENERGY: 2249600 729.3818 2120.4414 1945.8819 123.9096 -206913.1621 18257.7093 0.0000 0.0000 34357.0273 -149378.8107 300.0485 -183735.8380 -149276.9317 298.4104 128.7609 162.6475 558396.2044 -4.5890 -4.6261 PRESSURE: 2249800 174.743 115.292 28.1878 115.293 310.317 -123.93 28.1864 -123.929 164.371 GPRESSURE: 2249800 128.609 174.961 -36.4698 60.8099 449.37 -109.293 122.787 -181.523 177.311 PRESSAVG: 2249800 -13.4219 57.3043 10.6209 57.3043 32.2152 6.45349 10.621 6.45365 -50.1426 GPRESSAVG: 2249800 -13.4102 58.3548 11.4164 54.5154 30.9229 3.56229 12.3196 7.26417 -48.5642 TIMING: 2249800 CPU: 6698.95, 0.00298742/step Wall: 6698.95, 0.00298742/step, 2.28222 hours remaining, 205.027344 MB of memory in use. ENERGY: 2249800 742.7734 2077.1317 1986.2926 119.7925 -206916.9340 18089.0305 0.0000 0.0000 34531.7304 -149370.1828 301.5742 -183901.9132 -149273.3931 298.7054 216.4768 251.7631 557937.5016 -10.4498 -10.3505 PRESSURE: 2250000 -195.997 33.2344 -107.888 33.2349 234.282 -7.66898 -107.889 -7.66776 -98.1051 GPRESSURE: 2250000 -178.156 127.956 -126.376 59.4444 238.849 41.3 -103.45 -58.6223 -32.6793 PRESSAVG: 2250000 18.7067 -0.746574 34.4625 -0.746548 -21.9618 -42.9714 34.4625 -42.9713 -13.2223 GPRESSAVG: 2250000 19.2071 -0.75894 31.721 0.846496 -21.0767 -41.4379 32.5653 -42.8675 -14.976 TIMING: 2250000 CPU: 6699.54, 0.00296663/step Wall: 6699.54, 0.00296663/step, 2.26617 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: 2250000 717.8789 2110.0427 1944.1947 111.7012 -206417.5115 17944.2687 0.0000 0.0000 34213.5196 -149375.9058 298.7952 -183589.4253 -149275.3313 299.4056 -19.9403 9.3380 559187.9336 -5.4925 -5.6152 PRESSURE: 2250200 -221.392 73.8987 -48.6145 73.8993 -314.935 -137.147 -48.6142 -137.149 -69.0072 GPRESSURE: 2250200 -260.621 55.2401 2.0431 102.631 -305.127 -80.8217 -143.452 -35.7453 51.0264 PRESSAVG: 2250200 -0.56304 38.567 -45.078 38.567 12.0829 -9.76619 -45.078 -9.76615 5.79446 GPRESSAVG: 2250200 -0.843845 37.9355 -42.7635 39.5407 10.8403 -10.1832 -44.4129 -9.17636 7.15623 TIMING: 2250200 CPU: 6700.14, 0.00296237/step Wall: 6700.14, 0.00296237/step, 2.26276 hours remaining, 205.027344 MB of memory in use. ENERGY: 2250200 723.1805 2108.0916 1983.7771 113.2425 -205761.8197 17433.5724 0.0000 0.0000 34267.8357 -149132.1200 299.2695 -183399.9557 -149036.3180 299.8455 -201.7781 -171.5738 558373.6722 5.7714 5.7176 PRESSURE: 2250400 -36.3389 -82.6633 67.9001 -82.6643 -194.115 -129.615 67.8991 -129.614 -90.7029 GPRESSURE: 2250400 -3.02871 50.5044 25.1234 -103.318 -133.637 -187.948 79.5697 -75.0209 -79.5206 PRESSAVG: 2250400 -19.8632 -1.92571 -12.328 -1.92579 12.5049 10.4877 -12.328 10.4876 26.8118 GPRESSAVG: 2250400 -20.3354 -1.8004 -13.8729 -1.8945 13.0953 9.67383 -11.5859 10.2846 26.8446 TIMING: 2250400 CPU: 6700.73, 0.00296483/step Wall: 6700.73, 0.00296483/step, 2.26447 hours remaining, 205.027344 MB of memory in use. ENERGY: 2250400 809.8514 2089.1409 1944.6390 108.7926 -206130.6901 17739.3586 0.0000 0.0000 34302.8708 -149136.0366 299.5755 -183438.9074 -149038.6867 299.8278 -107.0522 -72.0620 557272.8534 6.4845 6.5349 PRESSURE: 2250600 -178.81 45.5765 53.7347 45.5773 -450.17 -25.4426 53.7348 -25.4417 -91.2209 GPRESSURE: 2250600 -141.885 -0.304211 27.4914 16.8719 -429.847 -34.8762 83.9002 -118.957 -43.1741 PRESSAVG: 2250600 -26.8027 22.1078 40.9273 22.1078 60.2418 -20.089 40.9272 -20.089 -15.4972 GPRESSAVG: 2250600 -27.2647 21.5738 41.6268 19.7019 60.8189 -20.0019 41.4631 -19.9968 -15.3801 TIMING: 2250600 CPU: 6701.33, 0.00300488/step Wall: 6701.33, 0.00300488/step, 2.2949 hours remaining, 205.027344 MB of memory in use. ENERGY: 2250600 785.5321 2093.4691 1970.0108 109.6146 -205792.2655 17448.9254 0.0000 0.0000 34292.8705 -149091.8429 299.4882 -183384.7134 -148993.4546 300.0685 -240.0669 -204.9686 557089.3645 5.9806 6.0580 PRESSURE: 2250800 120.553 163.713 52.2783 163.713 -46.9445 -51.7591 52.2784 -51.7586 -142.894 GPRESSURE: 2250800 220.459 132.318 3.2461 157.39 -12.3706 -3.18996 127.722 10.1894 -185.062 PRESSAVG: 2250800 -17.37 35.2176 23.3092 35.2175 53.3069 -5.56155 23.3092 -5.56159 -62.8745 GPRESSAVG: 2250800 -16.2835 37.286 22.4338 35.8949 53.1648 -5.87991 22.2426 -4.66601 -63.5413 TIMING: 2250800 CPU: 6701.93, 0.00296973/step Wall: 6701.93, 0.00296973/step, 2.26789 hours remaining, 205.027344 MB of memory in use. ENERGY: 2250800 717.2770 2091.0075 1949.3489 118.4381 -206043.9792 17654.2789 0.0000 0.0000 34377.5840 -149136.0448 300.2280 -183513.6288 -149039.3452 299.9358 -23.0950 7.6755 557220.4833 -8.9792 -8.8866 PRESSURE: 2251000 -127.869 10.6889 -94.2563 10.6891 -71.1971 78.4587 -94.257 78.4581 -245.837 GPRESSURE: 2251000 -45.015 -53.8416 -21.6215 -3.8023 -77.6587 39.5793 -118.216 202.149 -235.967 PRESSAVG: 2251000 47.9497 47.0385 16.5124 47.0385 -52.1211 -29.5039 16.5123 -29.504 17.8335 GPRESSAVG: 2251000 49.2544 45.4515 17.8677 47.8249 -52.7625 -29.1508 17.2824 -29.7886 17.476 TIMING: 2251000 CPU: 6702.52, 0.00296968/step Wall: 6702.52, 0.00296968/step, 2.26768 hours remaining, 205.027344 MB of memory in use. ENERGY: 2251000 751.6853 2128.8409 1942.9247 113.1137 -205988.0571 17624.8774 0.0000 0.0000 34193.7357 -149232.8794 298.6224 -183426.6151 -149133.0704 300.0483 -148.3009 -119.5470 557584.0176 4.5540 4.6560 PRESSURE: 2251200 -61.2539 -66.4979 -94.8194 -66.4969 -129.545 43.3554 -94.8204 43.3557 74.1368 GPRESSURE: 2251200 -50.2529 -31.6897 -191.097 -144.31 -69.7088 36.7631 -53.331 -5.46554 87.244 PRESSAVG: 2251200 -2.15352 -0.708563 35.5212 -0.708501 -38.9515 -39.2055 35.5212 -39.2054 26.4952 GPRESSAVG: 2251200 -3.5812 -0.113559 35.3883 0.0340313 -37.5298 -40.3012 33.9587 -38.4905 27.0142 TIMING: 2251200 CPU: 6703.12, 0.00298073/step Wall: 6703.12, 0.00298073/step, 2.27595 hours remaining, 205.027344 MB of memory in use. ENERGY: 2251200 786.6510 2098.5325 1980.4516 121.9482 -206286.6864 17856.6970 0.0000 0.0000 34395.7609 -149046.6452 300.3867 -183442.4060 -148944.8067 299.9591 -38.8874 -10.9059 557142.7592 -4.8700 -4.6989 PRESSURE: 2251400 -18.0504 -52.2034 9.97527 -52.2019 144.71 -43.795 9.97502 -43.7949 -94.7541 GPRESSURE: 2251400 64.0703 -50.3726 -9.45467 -95.1902 113.996 -3.07616 -71.6752 -42.9644 -40.4262 PRESSAVG: 2251400 -32.3226 47.9538 8.35133 47.9538 20.0053 -35.5938 8.35127 -35.5938 36.0088 GPRESSAVG: 2251400 -31.4864 46.3568 8.13023 47.952 19.3082 -33.9511 8.85554 -37.9765 35.2277 TIMING: 2251400 CPU: 6703.71, 0.00297257/step Wall: 6703.71, 0.00297257/step, 2.26956 hours remaining, 205.027344 MB of memory in use. ENERGY: 2251400 768.4475 2152.3725 1963.3371 99.7576 -206158.2406 17842.1592 0.0000 0.0000 34388.2215 -148943.9451 300.3209 -183332.1666 -148841.3242 300.0262 10.6351 45.8800 558044.3858 7.8972 7.6831 PRESSURE: 2251600 -268.401 137.989 54.5363 137.989 -251.983 -66.5413 54.5381 -66.5416 156.23 GPRESSURE: 2251600 -211.584 184.668 86.5442 141.758 -262.482 -40.704 59.4679 -108.471 207.172 PRESSAVG: 2251600 -63.2941 -9.57859 -13.0784 -9.57863 -27.9882 -41.6755 -13.0786 -41.6755 118.307 GPRESSAVG: 2251600 -62.7518 -8.24482 -13.6806 -10.9401 -29.7785 -40.5842 -11.4586 -41.4079 119.859 TIMING: 2251600 CPU: 6704.3, 0.00297073/step Wall: 6704.3, 0.00297073/step, 2.26799 hours remaining, 205.027344 MB of memory in use. ENERGY: 2251600 749.3154 2127.2747 1961.5803 111.2329 -205863.4102 17510.8828 0.0000 0.0000 34315.4852 -149087.6390 299.6857 -183403.1242 -148974.0893 300.1171 -121.3847 -88.9646 557851.3024 9.0084 9.1094 PRESSURE: 2251800 -30.8142 48.7217 -52.0882 48.7207 137.361 52.9767 -52.0879 52.978 12.7069 GPRESSURE: 2251800 -54.427 48.2571 -120.384 75.9668 211.639 50.6546 20.8791 51.4341 47.9638 PRESSAVG: 2251800 -39.0692 -52.1783 6.05596 -52.1782 -74.3924 -40.8339 6.05596 -40.834 102.283 GPRESSAVG: 2251800 -39.3596 -51.6707 5.30358 -51.2678 -73.8609 -40.3207 7.0021 -40.4405 101.699 TIMING: 2251800 CPU: 6704.9, 0.00299285/step Wall: 6704.9, 0.00299285/step, 2.28471 hours remaining, 205.027344 MB of memory in use. ENERGY: 2251800 752.6632 2119.8565 1951.7629 112.6063 -206274.1233 17821.8679 0.0000 0.0000 34473.6622 -149041.7043 301.0671 -183515.3665 -148941.8977 300.2580 39.7512 68.3919 556924.5279 -3.7262 -3.8403 PRESSURE: 2252000 -330.306 62.1122 3.76582 62.1135 -32.6611 60.5899 3.76673 60.591 -25.8532 GPRESSURE: 2252000 -387.556 27.424 105.492 40.9983 7.53306 82.5217 -8.17047 27.5285 85.469 PRESSAVG: 2252000 -12.0285 3.35182 -8.67677 3.35192 -41.3256 27.7609 -8.67678 27.7609 66.9534 GPRESSAVG: 2252000 -13.3935 1.2251 -7.24348 4.2974 -40.559 26.4281 -10.3797 28.0026 68.1228 TIMING: 2252000 CPU: 6705.5, 0.00299963/step Wall: 6705.5, 0.00299963/step, 2.28971 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: 2252000 789.9900 2154.6298 1942.2158 126.3358 -206101.2750 17542.5116 0.0000 0.0000 34493.5105 -149052.0814 301.2404 -183545.5919 -148955.4781 300.1309 -129.6069 -98.1848 556648.4777 4.5331 4.7235 PRESSURE: 2252200 -137.987 7.68133 5.26556 7.68134 -33.5928 -134.668 5.26456 -134.67 -19.0495 GPRESSURE: 2252200 -56.7016 45.4355 -37.4634 -24.113 -54.1163 -82.8741 5.26741 -143.067 30.8444 PRESSAVG: 2252200 -18.325 16.097 31.8407 16.0969 -5.33137 -45.7605 31.8407 -45.7606 30.1945 GPRESSAVG: 2252200 -17.4815 19.0802 31.6518 15.6906 -5.96795 -45.6792 34.0815 -46.3082 29.4836 TIMING: 2252200 CPU: 6706.1, 0.00300086/step Wall: 6706.1, 0.00300086/step, 2.29049 hours remaining, 205.027344 MB of memory in use. ENERGY: 2252200 812.5308 2050.6900 1969.2557 126.7171 -206148.1876 17730.6767 0.0000 0.0000 34351.4396 -149106.8778 299.9997 -183458.3174 -149005.3159 300.0789 -63.5431 -26.6579 556751.5145 2.1794 2.0114 LDB: ============= START OF LOAD BALANCING ============== 6709.53 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6709.53 LDB: =============== DONE WITH MIGRATION ================ 6709.53 LDB: ============= START OF LOAD BALANCING ============== 6709.83 LDB: Largest compute 4821 load 0.025471 is 21.6% of average load 0.118100 LDB: Average compute 0.001716 is 1.5% of average load 0.118100 LDB: TIME 6709.83 LOAD: AVG 0.1181 MAX 0.205465 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 6709.83 LOAD: AVG 0.1181 MAX 0.205465 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: TIME 6709.83 LOAD: AVG 0.1181 MAX 0.205465 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 6709.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6709.84 PRESSURE: 2252400 -40.2439 103.16 -82.822 103.159 -227.594 -34.6956 -82.8224 -34.693 -41.043 GPRESSURE: 2252400 -40.24 130.123 -10.6071 74.5676 -218.589 -72.2903 -67.9593 -72.6105 52.4782 PRESSAVG: 2252400 -19.976 -5.1146 5.95409 -5.11462 -38.4937 0.472471 5.95415 0.472483 61.1099 GPRESSAVG: 2252400 -20.7702 -7.12229 5.68593 -6.1573 -37.6879 -0.914922 5.73816 1.55451 60.8165 TIMING: 2252400 CPU: 6706.71, 0.00303606/step Wall: 6706.71, 0.00303606/step, 2.31719 hours remaining, 204.953125 MB of memory in use. ENERGY: 2252400 770.3983 2147.9743 1953.7660 103.1366 -206092.0155 17668.0637 0.0000 0.0000 34250.6676 -149198.0090 299.1196 -183448.6765 -149101.2729 299.9904 -102.9603 -68.7836 557790.9065 0.8801 0.7861 PRESSURE: 2252600 -18.6243 49.7074 -41.6466 49.707 240.366 13.0493 -41.6456 13.0495 -26.2922 GPRESSURE: 2252600 16.3538 -29.7574 -31.8609 1.73199 320.759 -20.4302 -51.6209 -7.45548 -29.2922 PRESSAVG: 2252600 -21.3751 -2.40026 -8.68521 -2.40024 -37.8366 45.8089 -8.68524 45.809 -3.86047 GPRESSAVG: 2252600 -20.9596 -1.47445 -10.352 -4.59822 -38.5126 45.4585 -9.1519 46.8467 -3.4847 TIMING: 2252600 CPU: 6707.31, 0.00298657/step Wall: 6707.31, 0.00298657/step, 2.27925 hours remaining, 205.152344 MB of memory in use. ENERGY: 2252600 755.3871 2103.3345 1944.1014 110.1929 -206021.5761 17698.3939 0.0000 0.0000 34118.7995 -149291.3668 297.9680 -183410.1663 -149195.9379 298.7314 65.1498 102.6069 557818.5166 -21.0240 -20.9856 PRESSURE: 2252800 102.68 41.072 -238.915 41.0737 -223.952 -42.1635 -238.914 -42.1627 -160.936 GPRESSURE: 2252800 88.6321 70.885 -221.895 112.236 -143.169 -30.2592 -128.055 -35.6685 -130.104 PRESSAVG: 2252800 1.68032 -15.8277 -31.1668 -15.8277 47.1132 -85.5595 -31.1668 -85.5594 -38.2035 GPRESSAVG: 2252800 1.9299 -16.831 -27.0816 -12.8966 48.3656 -84.8523 -31.805 -86.715 -39.7829 TIMING: 2252800 CPU: 6707.9, 0.00296696/step Wall: 6707.9, 0.00296696/step, 2.26412 hours remaining, 205.152344 MB of memory in use. ENERGY: 2252800 704.2086 2090.1944 1956.5187 110.4896 -205971.2696 17638.8485 0.0000 0.0000 34216.5685 -149254.4413 298.8218 -183471.0098 -149159.8389 299.0340 -94.0696 -61.5470 557370.8344 3.5300 3.5042 PRESSURE: 2253000 -121.492 -41.5647 88.5983 -41.5628 -52.7361 -25.0847 88.5997 -25.085 -70.5702 GPRESSURE: 2253000 -64.3458 -7.32541 1.49357 38.2456 -43.1233 30.6052 103.936 -107.51 -38.4752 PRESSAVG: 2253000 -6.20254 -8.52344 -33.254 -8.52343 -18.843 -15.8046 -33.254 -15.8046 2.60442 GPRESSAVG: 2253000 -5.7771 -6.96886 -39.1344 -9.50629 -20.489 -13.5701 -31.3339 -16.5819 4.20794 TIMING: 2253000 CPU: 6708.5, 0.00297355/step Wall: 6708.5, 0.00297355/step, 2.26899 hours remaining, 205.152344 MB of memory in use. ENERGY: 2253000 754.7714 2143.6992 1949.0450 128.4610 -205930.6490 17570.8951 0.0000 0.0000 34246.5074 -149137.2699 299.0833 -183383.7773 -149036.7312 299.2055 -81.5993 -48.6481 558740.1885 -7.4804 -7.3527 PRESSURE: 2253200 31.7525 25.733 8.29079 25.7341 89.9888 -110.347 8.29083 -110.347 -57.8078 GPRESSURE: 2253200 37.4239 10.8134 37.2024 34.5507 151.14 -115.333 50.5196 -110.108 -31.0572 PRESSAVG: 2253200 16.2935 7.24618 -0.773181 7.24621 -12.0211 -39.6148 -0.773229 -39.6148 -35.8428 GPRESSAVG: 2253200 16.5772 7.25506 2.81786 6.22922 -12.008 -40.8386 -2.41203 -37.5117 -35.5746 TIMING: 2253200 CPU: 6709.1, 0.0030023/step Wall: 6709.1, 0.0030023/step, 2.29076 hours remaining, 205.152344 MB of memory in use. ENERGY: 2253200 748.2449 2092.4426 1944.3094 127.0667 -206104.2233 17692.2567 0.0000 0.0000 34305.2427 -149194.6604 299.5962 -183499.9030 -149097.9148 299.0049 21.3112 52.5021 557796.0726 -10.5235 -10.3351 PRESSURE: 2253400 59.9303 23.8872 42.3182 23.8862 -99.3294 111.316 42.3182 111.317 -31.6652 GPRESSURE: 2253400 74.4469 72.7445 109.201 -69.5194 -51.6083 48.5499 86.3598 127.715 -5.10435 PRESSAVG: 2253400 40.2053 -6.2702 -39.5352 -6.27017 -24.4836 64.7677 -39.5351 64.7676 -23.1392 GPRESSAVG: 2253400 38.5602 -7.55443 -39.2395 -4.90867 -22.8771 62.8779 -39.4568 62.234 -23.5206 TIMING: 2253400 CPU: 6709.69, 0.00298952/step Wall: 6709.69, 0.00298952/step, 2.28083 hours remaining, 205.152344 MB of memory in use. ENERGY: 2253400 743.7995 2117.0392 1949.0803 116.1063 -206278.4212 17710.5864 0.0000 0.0000 34334.1932 -149307.6164 299.8490 -183641.8096 -149214.2968 299.3578 -23.6881 5.9114 558007.0439 -2.4725 -2.6125 PRESSURE: 2253600 74.5403 -165.976 -52.55 -165.976 112.426 34.8123 -52.5498 34.8122 -3.41392 GPRESSURE: 2253600 157.263 -149.243 -125.408 -105.931 94.2909 47.2142 -6.1893 83.4395 20.4063 PRESSAVG: 2253600 31.3395 -46.8158 -50.0324 -46.8158 16.9701 12.1167 -50.0324 12.1167 14.083 GPRESSAVG: 2253600 32.019 -46.6426 -49.9704 -46.4496 16.6239 13.5719 -51.1337 14.1251 13.4152 TIMING: 2253600 CPU: 6710.29, 0.00300152/step Wall: 6710.29, 0.00300152/step, 2.28982 hours remaining, 205.152344 MB of memory in use. ENERGY: 2253600 746.9699 2099.4177 1927.7052 102.2775 -206130.2412 17904.3357 0.0000 0.0000 34057.2021 -149292.3331 297.4300 -183349.5352 -149194.9113 298.5557 61.1840 90.6534 558272.2898 20.7975 20.6861 PRESSURE: 2253800 -314.657 24.4953 90.7793 24.4947 -366.203 -63.1974 90.7786 -63.1977 -411.918 GPRESSURE: 2253800 -217.237 38.4561 91.6418 36.2039 -356.087 -15.4014 51.9234 -53.7086 -412.346 PRESSAVG: 2253800 26.4763 28.3615 -22.184 28.3615 -6.69217 -3.54472 -22.1841 -3.54476 -23.1839 GPRESSAVG: 2253800 26.7971 27.0154 -23.239 29.3621 -7.64007 -3.61371 -22.2772 -5.07162 -22.8595 TIMING: 2253800 CPU: 6710.89, 0.00298364/step Wall: 6710.89, 0.00298364/step, 2.27602 hours remaining, 205.152344 MB of memory in use. ENERGY: 2253800 751.6424 2092.7388 1937.4378 112.6606 -206180.3662 17510.0140 0.0000 0.0000 34187.2854 -149588.5871 298.5661 -183775.8725 -149491.1866 298.7343 -364.2594 -328.5564 557715.0908 -1.1332 -1.2342 PRESSURE: 2254000 -180.014 -142.276 -6.66145 -142.276 -187.029 205.714 -6.66213 205.713 -268.531 GPRESSURE: 2254000 -185.632 -141.002 -55.2474 -94.9409 -98.8708 219.435 41.4639 283.144 -243.47 PRESSAVG: 2254000 32.7311 -38.573 11.8222 -38.5729 -42.6364 17.2713 11.8222 17.2713 16.4572 GPRESSAVG: 2254000 31.7665 -37.4711 12.6448 -38.976 -42.0189 16.1779 13.2078 19.465 16.8836 TIMING: 2254000 CPU: 6711.49, 0.00298326/step Wall: 6711.49, 0.00298326/step, 2.27557 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: 2254000 773.0091 2042.4651 1944.6494 106.6436 -206199.2625 17579.8243 0.0000 0.0000 34154.1117 -149598.5593 298.2764 -183752.6711 -149503.3455 298.5730 -211.8583 -175.9909 557195.9473 2.1840 2.2104 PRESSURE: 2254200 178.556 106.062 -143.434 106.061 -68.8756 18.4404 -143.435 18.4409 -41.5493 GPRESSURE: 2254200 175.103 98.3631 -146.844 85.0199 -8.43081 94.5813 -184.85 -23.1941 -11.8616 PRESSAVG: 2254200 -23.2491 -40.7792 -78.0009 -40.7791 42.8175 16.2612 -78.0008 16.2614 -3.06365 GPRESSAVG: 2254200 -23.1823 -40.0465 -79.1041 -41.8394 42.8619 18.3353 -77.1155 14.2733 -2.89694 TIMING: 2254200 CPU: 6712.08, 0.00298415/step Wall: 6712.08, 0.00298415/step, 2.27607 hours remaining, 205.152344 MB of memory in use. ENERGY: 2254200 749.6499 2009.7600 1967.3371 116.5835 -206525.6454 18035.0140 0.0000 0.0000 33779.4303 -149867.8707 295.0042 -183647.3010 -149780.0560 297.5024 22.7104 51.6034 557841.8715 5.5016 5.5942 PRESSURE: 2254400 -80.8963 -57.5337 41.8442 -57.5338 -80.039 -15.726 41.843 -15.7258 -87.6972 GPRESSURE: 2254400 -44.9413 -42.0606 109.282 -62.8881 -39.0739 -50.7386 -43.8161 13.8768 -69.1412 PRESSAVG: 2254400 -44.7443 -23.1523 -63.1839 -23.1523 10.0024 -37.1339 -63.1839 -37.1339 -48.0082 GPRESSAVG: 2254400 -45.6093 -25.0635 -62.0259 -21.9353 9.64365 -37.9688 -63.4445 -37.2278 -46.9964 TIMING: 2254400 CPU: 6712.68, 0.00298604/step Wall: 6712.68, 0.00298604/step, 2.27736 hours remaining, 205.152344 MB of memory in use. ENERGY: 2254400 706.1124 2088.9495 1945.4323 97.9808 -206326.2754 17748.5282 0.0000 0.0000 34106.4818 -149632.7904 297.8604 -183739.2722 -149542.0207 297.3231 -82.8775 -51.0521 556670.5286 -27.5833 -27.6540 PRESSURE: 2254600 -57.1283 -142.731 -15.4675 -142.731 33.5252 -22.1905 -15.4684 -22.1908 -94.5835 GPRESSURE: 2254600 -33.2406 -148.266 66.9438 -156.816 24.139 -2.12098 36.2421 -38.9586 -7.05833 PRESSAVG: 2254600 -1.78942 -61.5307 -12.9119 -61.5308 -54.8208 -20.2103 -12.9119 -20.2103 75.271 GPRESSAVG: 2254600 -1.15282 -60.6374 -14.1813 -61.553 -55.0454 -20.9424 -13.5712 -20.3494 74.7485 TIMING: 2254600 CPU: 6713.28, 0.00298839/step Wall: 6713.28, 0.00298839/step, 2.27898 hours remaining, 205.152344 MB of memory in use. ENERGY: 2254600 727.4583 2097.0834 1930.3623 123.6560 -206553.6019 17666.9313 0.0000 0.0000 34347.0538 -149661.0567 299.9614 -184008.1105 -149560.7005 298.2163 -39.3955 -5.3866 556179.8017 6.2202 6.1834 PRESSURE: 2254800 -33.0838 -63.9085 -109.846 -63.908 -38.1095 -134.641 -109.845 -134.641 -4.91332 GPRESSURE: 2254800 3.04179 -69.5038 -75.1355 -105.887 24.2697 -106.846 -63.2188 -81.2613 18.3332 PRESSAVG: 2254800 -41.4722 -71.839 -64.762 -71.839 5.72361 26.6189 -64.7621 26.619 42.7805 GPRESSAVG: 2254800 -42.1924 -70.1959 -64.9287 -72.2891 5.99344 27.3172 -63.3452 26.1517 43.6098 TIMING: 2254800 CPU: 6713.88, 0.00299727/step Wall: 6713.88, 0.00299727/step, 2.28558 hours remaining, 205.152344 MB of memory in use. ENERGY: 2254800 742.8077 2102.6927 1926.8234 116.8694 -206612.8522 17880.7921 0.0000 0.0000 34296.9362 -149545.9307 299.5237 -183842.8669 -149451.4811 298.6463 -25.3689 15.2149 556006.0302 2.3440 2.4703 PRESSURE: 2255000 -25.628 29.8894 10.3868 29.8891 -4.43296 -36.7014 10.3875 -36.7043 144.693 GPRESSURE: 2255000 -34.2968 27.5293 -3.17976 51.0397 46.6824 -10.2748 -8.08996 -66.9911 190.379 PRESSAVG: 2255000 39.7223 -34.2771 -13.4174 -34.2771 -12.4539 -46.5654 -13.4173 -46.5653 -51.5181 GPRESSAVG: 2255000 40.8623 -35.6801 -14.0158 -31.8425 -13.2506 -47.2755 -15.4304 -46.2806 -52.1134 TIMING: 2255000 CPU: 6714.48, 0.00299371/step Wall: 6714.48, 0.00299371/step, 2.28271 hours remaining, 205.152344 MB of memory in use. ENERGY: 2255000 784.2735 2153.8715 1913.5149 128.2373 -206826.2269 18124.0798 0.0000 0.0000 34238.9722 -149483.2777 299.0175 -183722.2499 -149387.8196 298.5526 38.2106 67.5882 557656.6037 -8.0832 -8.1672 PRESSURE: 2255200 227.016 104.09 110.323 104.09 47.5449 23.798 110.324 23.7968 13.3531 GPRESSURE: 2255200 198.763 122.302 40.9446 80.9468 115.61 10.6501 59.133 31.9173 80.2224 PRESSAVG: 2255200 12.8242 -44.3061 23.0063 -44.3061 10.4184 17.0381 23.0063 17.038 -41.1162 GPRESSAVG: 2255200 12.1254 -44.4933 24.2696 -45.8094 11.8527 16.028 22.2063 18.2275 -41.5646 TIMING: 2255200 CPU: 6715.08, 0.00300311/step Wall: 6715.08, 0.00300311/step, 2.2897 hours remaining, 205.152344 MB of memory in use. ENERGY: 2255200 729.0269 2145.1314 1924.4244 105.5230 -206388.4289 17990.4857 0.0000 0.0000 34035.9317 -149457.9058 297.2443 -183493.8375 -149369.9099 298.2526 95.9715 131.5319 558705.1645 -5.9579 -5.8622 PRESSURE: 2255400 -139.421 29.0967 116.745 29.096 -75.3357 -24.7664 116.745 -24.7673 -339.225 GPRESSURE: 2255400 -136.762 51.9252 56.4954 65.1185 -24.7529 26.2236 116.674 -0.0538295 -304.192 PRESSAVG: 2255400 32.8713 22.8302 -4.03503 22.8303 37.596 -17.9818 -4.03505 -17.9818 -53.5883 GPRESSAVG: 2255400 33.7443 24.405 -5.41254 22.754 35.6879 -16.2747 -2.91448 -19.2863 -52.3853 TIMING: 2255400 CPU: 6715.68, 0.00301247/step Wall: 6715.68, 0.00301247/step, 2.29668 hours remaining, 205.152344 MB of memory in use. ENERGY: 2255400 793.2306 2116.5124 1937.5078 120.3139 -206191.7011 17778.5667 0.0000 0.0000 34009.4067 -149436.1630 297.0126 -183445.5696 -149341.2205 298.1939 -184.6605 -155.2359 558037.3050 5.6263 5.6823 PRESSURE: 2255600 -122.636 -3.17145 -129.428 -3.16989 -134.394 100.351 -129.428 100.351 -281.678 GPRESSURE: 2255600 -78.2016 60.7518 -99.5694 -1.09427 -97.7776 45.6087 -139.752 94.909 -268.928 PRESSAVG: 2255600 11.1566 -3.5479 -1.69766 -3.54783 34.4659 22.5108 -1.69766 22.5108 -33.6546 GPRESSAVG: 2255600 10.8843 -4.03762 -0.635498 -3.96255 35.6633 21.9027 -2.34923 23.5666 -34.443 TIMING: 2255600 CPU: 6716.28, 0.00301453/step Wall: 6716.28, 0.00301453/step, 2.29808 hours remaining, 205.152344 MB of memory in use. ENERGY: 2255600 774.0171 2113.6262 1933.5121 112.5532 -206234.7605 17605.6340 0.0000 0.0000 34270.9412 -149424.4766 299.2967 -183695.4178 -149321.0410 298.4390 -179.5693 -148.3025 558479.6058 3.9893 4.0349 PRESSURE: 2255800 50.1803 -98.9114 85.1187 -98.9112 -30.7717 -95.7869 85.1191 -95.7864 -234.522 GPRESSURE: 2255800 49.866 -62.1937 60.8286 -36.2567 46.9 18.1684 137.541 -197.407 -224.133 PRESSAVG: 2255800 -10.6312 -59.1392 35.358 -59.1392 61.643 0.842266 35.358 0.842368 -51.0507 GPRESSAVG: 2255800 -11.3903 -57.6499 35.0633 -60.072 61.8132 2.39438 35.3237 0.783421 -50.0098 TIMING: 2255800 CPU: 6716.89, 0.00301756/step Wall: 6716.89, 0.00301756/step, 2.30022 hours remaining, 205.152344 MB of memory in use. ENERGY: 2255800 782.6193 2107.3241 1974.8849 116.9304 -206367.0324 17876.6991 0.0000 0.0000 34217.2595 -149291.3150 298.8278 -183508.5746 -149195.8963 298.8524 -71.7045 -42.4558 558995.1652 -0.0130 0.1377 PRESSURE: 2256000 -187.547 -116.823 174.656 -116.822 -219.194 -115.383 174.657 -115.384 -374.035 GPRESSURE: 2256000 -135.296 -105.051 110.943 -95.6488 -254.246 -128.689 139.112 -101.712 -296.649 PRESSAVG: 2256000 18.5957 -2.24846 28.2095 -2.24845 57.2567 -54.7401 28.2096 -54.74 -66.45 GPRESSAVG: 2256000 19.6215 -2.09727 26.1831 -2.1266 57.3979 -56.2229 29.9042 -54.2083 -67.0391 TIMING: 2256000 CPU: 6717.49, 0.00300767/step Wall: 6717.49, 0.00300767/step, 2.29251 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: 2256000 786.0532 2098.2248 1946.8266 121.8118 -205978.9722 17595.4300 0.0000 0.0000 34115.2254 -149315.4003 297.9367 -183430.6257 -149223.6037 298.2331 -260.2588 -228.7305 560392.4160 3.1341 3.3268 PRESSURE: 2256200 -145.09 -102.859 15.0977 -102.858 -148.02 -53.1424 15.0977 -53.1397 -502.243 GPRESSURE: 2256200 -111.197 -142.649 6.01634 -118.573 -138.522 -43.955 3.07396 -117.899 -446.593 PRESSAVG: 2256200 42.7823 -8.31809 43.1229 -8.3182 -10.3681 -13.1549 43.1229 -13.1549 -25.0115 GPRESSAVG: 2256200 43.4536 -10.7145 43.4602 -8.52849 -10.6156 -13.3425 43.7568 -13.0458 -25.1137 TIMING: 2256200 CPU: 6718.09, 0.00299446/step Wall: 6718.09, 0.00299446/step, 2.28227 hours remaining, 205.152344 MB of memory in use. ENERGY: 2256200 804.7011 2088.3006 1939.0844 119.2006 -206214.4967 17536.2725 0.0000 0.0000 34186.6539 -149540.2837 298.5606 -183726.9376 -149446.6187 298.4279 -265.1177 -232.1040 558527.7610 2.4676 2.5748 LDB: ============= START OF LOAD BALANCING ============== 6721.52 LDB: ============== END OF LOAD BALANCING =============== 6721.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6721.52 LDB: ============= START OF LOAD BALANCING ============== 6721.82 LDB: Largest compute 4821 load 0.025501 is 21.6% of average load 0.118060 LDB: Average compute 0.001713 is 1.5% of average load 0.118060 LDB: TIME 6721.82 LOAD: AVG 0.11806 MAX 0.204589 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.496 MB LDB: TIME 6721.82 LOAD: AVG 0.11806 MAX 0.204589 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.496 MB LDB: TIME 6721.82 LOAD: AVG 0.11806 MAX 0.204589 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.496 MB LDB: ============== END OF LOAD BALANCING =============== 6721.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6721.83 PRESSURE: 2256400 -192.966 18.9379 -107.034 18.9379 -9.49196 -146.355 -107.034 -146.355 -216.052 GPRESSURE: 2256400 -227.85 82.7772 -39.5328 -124.292 64.7598 -137.189 -152.748 -156.328 -163.586 PRESSAVG: 2256400 53.1572 2.74762 26.0179 2.74755 19.0826 -31.2376 26.0178 -31.2375 -33.7623 GPRESSAVG: 2256400 53.3517 3.28397 26.9322 4.27415 18.7734 -32.1166 25.5008 -32.5134 -34.2807 TIMING: 2256400 CPU: 6718.7, 0.003067/step Wall: 6718.7, 0.003067/step, 2.33739 hours remaining, 206.187500 MB of memory in use. ENERGY: 2256400 762.8947 2128.7169 1926.2240 110.3701 -206326.1956 17652.5949 0.0000 0.0000 34071.4358 -149673.9591 297.5543 -183745.3949 -149578.3632 298.0068 -139.5033 -108.8919 556758.3662 12.8258 12.6148 PRESSURE: 2256600 -199.726 56.2616 -91.3896 56.2619 198.43 -36.6089 -91.3893 -36.6112 -136.743 GPRESSURE: 2256600 -154.701 41.5151 -70.4236 124.191 215.467 -6.29483 -39.4625 -62.0575 -114.374 PRESSAVG: 2256600 6.82926 29.6976 6.529 29.6976 57.8677 -31.1397 6.52905 -31.1397 -71.89 GPRESSAVG: 2256600 6.88769 30.7646 6.16047 28.7167 58.4923 -28.9778 5.1249 -30.057 -72.7071 TIMING: 2256600 CPU: 6719.3, 0.00299872/step Wall: 6719.3, 0.00299872/step, 2.28519 hours remaining, 206.386719 MB of memory in use. ENERGY: 2256600 764.2992 2115.5381 1943.4192 112.2506 -206608.3317 17891.4125 0.0000 0.0000 34152.6697 -149628.7423 298.2638 -183781.4120 -149534.8179 297.7195 -46.0126 -17.8695 557144.5471 -2.3977 -2.4423 PRESSURE: 2256800 -392.322 -20.2882 -43.0043 -20.287 -70.7611 83.514 -43.0042 83.5155 -161.736 GPRESSURE: 2256800 -351.177 13.5273 -114.899 9.08989 -105.58 41.8019 -42.193 108.128 -76.5588 PRESSAVG: 2256800 -12.2666 24.1612 -12.3968 24.1612 143.404 35.0401 -12.3968 35.0401 -92.9132 GPRESSAVG: 2256800 -12.5684 23.9832 -10.286 23.7344 143.466 35.8124 -12.5431 33.3596 -92.8283 TIMING: 2256800 CPU: 6719.9, 0.00300581/step Wall: 6719.9, 0.00300581/step, 2.29043 hours remaining, 206.386719 MB of memory in use. ENERGY: 2256800 796.3601 2099.1865 1926.8562 116.7101 -206355.7601 17732.5047 0.0000 0.0000 34076.6367 -149607.5059 297.5997 -183684.1426 -149520.8426 298.3320 -208.2730 -177.7719 557818.2551 12.7412 12.6898 PRESSURE: 2257000 -167.287 7.99244 84.1412 7.99069 -268.049 -26.5334 84.1412 -26.5346 -190.019 GPRESSURE: 2257000 -143.511 2.22646 119.355 46.943 -194.321 -45.4346 55.361 4.35292 -204.005 PRESSAVG: 2257000 -23.221 -16.6386 -32.9558 -16.6386 5.64816 -16.8048 -32.9558 -16.8048 -15.0089 GPRESSAVG: 2257000 -23.5336 -17.2116 -33.1112 -15.3262 5.05466 -16.8255 -32.6494 -16.5121 -14.6726 TIMING: 2257000 CPU: 6720.5, 0.00297568/step Wall: 6720.5, 0.00297568/step, 2.2673 hours remaining, 206.386719 MB of memory in use. ENERGY: 2257000 740.1728 2028.8765 1935.2706 115.3071 -206188.5480 17617.9432 0.0000 0.0000 34065.7208 -149685.2569 297.5044 -183750.9777 -149585.3424 297.6997 -208.4517 -180.6122 557389.4931 -10.8606 -11.0505 PRESSURE: 2257200 238.57 -56.7749 -6.47817 -56.7744 -32.699 57.498 -6.47862 57.4978 87.933 GPRESSURE: 2257200 278.798 -29.8309 111.999 -55.424 6.56892 101.803 -112.424 58.0145 103.088 PRESSAVG: 2257200 30.6692 12.3723 -29.0923 12.3722 -69.6995 -33.3885 -29.0922 -33.3886 49.7058 GPRESSAVG: 2257200 31.0376 12.1504 -28.157 10.702 -70.2347 -33.9341 -30.776 -33.9282 49.901 TIMING: 2257200 CPU: 6721.09, 0.00298014/step Wall: 6721.09, 0.00298014/step, 2.27053 hours remaining, 206.386719 MB of memory in use. ENERGY: 2257200 738.9386 2025.8650 1924.4493 117.8096 -206298.4887 17869.1243 0.0000 0.0000 34191.6434 -149430.6586 298.6041 -183622.3020 -149331.8964 297.9853 97.9348 129.4849 555699.5060 3.5585 3.5679 PRESSURE: 2257400 -132.296 28.7301 -174.267 28.7289 185.154 141.357 -174.267 141.357 -66.4799 GPRESSURE: 2257400 -97.389 18.6935 -139.896 92.0917 165.069 110.169 -112.495 192.225 13.7641 PRESSAVG: 2257400 26.2553 21.8171 32.5794 21.8171 -1.0814 3.60675 32.5793 3.60671 0.0452251 GPRESSAVG: 2257400 26.1065 22.8277 32.2343 23.6549 -0.55175 0.681359 32.8644 4.80182 -0.223846 TIMING: 2257400 CPU: 6721.69, 0.00298964/step Wall: 6721.69, 0.00298964/step, 2.2776 hours remaining, 206.386719 MB of memory in use. ENERGY: 2257400 744.3428 2081.3830 1945.4766 118.7705 -206243.8431 17770.2938 0.0000 0.0000 34158.7398 -149424.8366 298.3168 -183583.5765 -149334.0331 298.3123 -4.5404 27.1479 557288.8440 8.4064 8.4436 PRESSURE: 2257600 -178.455 79.6152 97.7389 79.615 -48.983 -2.55187 97.7379 -2.5509 -125.613 GPRESSURE: 2257600 -149.936 26.2569 124.398 83.6612 -44.1512 -7.37328 104.611 4.30198 -72.0912 PRESSAVG: 2257600 -83.9703 -31.6699 -15.9983 -31.67 7.64843 18.6366 -15.9983 18.6366 35.0638 GPRESSAVG: 2257600 -83.3465 -32.6996 -15.7129 -31.2067 7.14097 20.1486 -12.3081 20.4616 34.7419 TIMING: 2257600 CPU: 6722.29, 0.00297562/step Wall: 6722.29, 0.00297562/step, 2.26676 hours remaining, 206.386719 MB of memory in use. ENERGY: 2257600 740.4747 2082.6165 1945.8328 124.2432 -206143.7990 17504.7763 0.0000 0.0000 34215.9695 -149529.8860 298.8166 -183745.8555 -149432.7534 298.7022 -117.6836 -88.7262 556848.2667 -13.7527 -13.8212 PRESSURE: 2257800 281.911 -40.5337 -30.5025 -40.5333 21.1677 38.1768 -30.5042 38.1769 276.372 GPRESSURE: 2257800 305.357 53.4926 -5.72647 -0.572705 113.025 -15.4567 -60.3787 40.7932 263.15 PRESSAVG: 2257800 -5.47791 10.7675 16.1608 10.7674 -5.97292 -12.8989 16.1607 -12.8989 53.8092 GPRESSAVG: 2257800 -5.31243 12.8743 14.6407 9.0072 -5.26242 -10.3969 12.8351 -14.9376 52.7331 TIMING: 2257800 CPU: 6722.89, 0.00302519/step Wall: 6722.89, 0.00302519/step, 2.30436 hours remaining, 206.386719 MB of memory in use. ENERGY: 2257800 728.7278 2027.4986 1951.8649 123.7440 -206675.2610 18102.8585 0.0000 0.0000 34206.9447 -149533.6226 298.7378 -183740.5673 -149430.7545 298.4568 193.1503 227.1771 555532.9956 14.1195 14.0527 PRESSURE: 2258000 -117.434 -77.9098 -76.7103 -77.9093 81.7869 110.314 -76.7099 110.314 151.504 GPRESSURE: 2258000 -101.881 -97.1987 -175.784 -19.6326 103.266 103.148 23.1576 46.6746 204.373 PRESSAVG: 2258000 14.5055 30.9576 7.7863 30.9576 -1.99445 -34.4409 7.78633 -34.441 8.28284 GPRESSAVG: 2258000 12.8056 32.5171 7.45486 29.1857 -1.51358 -35.4108 7.08639 -37.4371 9.22259 TIMING: 2258000 CPU: 6723.5, 0.00302482/step Wall: 6723.5, 0.00302482/step, 2.3039 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: 2258000 708.1836 2098.8037 1945.6796 117.9188 -206591.1673 17900.1171 0.0000 0.0000 34228.3186 -149592.1460 298.9244 -183820.4646 -149498.2957 298.7516 38.6192 68.5858 555939.0018 6.9313 6.8382 PRESSURE: 2258200 67.2553 -56.6151 -93.1872 -56.6163 117.394 103.59 -93.1869 103.59 -197.606 GPRESSURE: 2258200 102.696 -126.661 -101.731 -37.4288 153.188 194.185 -108.421 128.593 -171.666 PRESSAVG: 2258200 11.9638 54.8601 -6.2455 54.86 18.9037 26.7405 -6.24543 26.7406 -36.3922 GPRESSAVG: 2258200 12.373 52.529 -4.76833 58.5746 18.6741 26.3445 -5.36442 29.8772 -36.9384 TIMING: 2258200 CPU: 6724.1, 0.00300308/step Wall: 6724.1, 0.00300308/step, 2.28718 hours remaining, 206.386719 MB of memory in use. ENERGY: 2258200 736.1123 2063.4103 1933.3533 110.2566 -206235.7320 17753.3668 0.0000 0.0000 34135.9852 -149503.2474 298.1180 -183639.2326 -149407.4358 298.4607 -4.3190 28.0725 557089.4499 -1.8416 -1.9637 PRESSURE: 2258400 -608.196 138.794 -47.5183 138.796 -340.087 -63.7665 -47.5181 -63.765 -298.24 GPRESSURE: 2258400 -592.297 137.594 7.43655 110.082 -300.419 -6.95901 -94.1835 -54.9157 -261.585 PRESSAVG: 2258400 40.3972 37.6355 -25.4171 37.6354 -15.804 23.8121 -25.4172 23.8121 -49.0506 GPRESSAVG: 2258400 40.1581 39.6745 -25.8743 33.3683 -16.2814 23.8106 -25.4866 24.6489 -48.7167 TIMING: 2258400 CPU: 6724.7, 0.0030045/step Wall: 6724.7, 0.0030045/step, 2.28809 hours remaining, 206.386719 MB of memory in use. ENERGY: 2258400 768.7137 2132.2546 1944.7693 128.7154 -205665.6652 17220.5817 0.0000 0.0000 34247.0853 -149223.5452 299.0883 -183470.6305 -149133.4503 299.2935 -415.5077 -384.7670 558866.4838 -8.1525 -8.2800 PRESSURE: 2258600 -3.91836 77.2724 -136.23 77.2743 47.7759 -78.7078 -136.229 -78.7071 91.7497 GPRESSURE: 2258600 34.6196 32.4016 -167.594 102.908 1.66594 -94.7945 -170.857 -52.5666 192.15 PRESSAVG: 2258600 -58.2312 68.0348 -3.40686 68.0349 7.42742 18.7269 -3.40672 18.7269 71.9168 GPRESSAVG: 2258600 -58.6093 67.3162 -2.29744 69.4909 8.23533 18.643 -4.35806 16.9668 70.9758 TIMING: 2258600 CPU: 6725.29, 0.00298545/step Wall: 6725.29, 0.00298545/step, 2.27342 hours remaining, 206.386719 MB of memory in use. ENERGY: 2258600 724.5985 2094.9619 1948.0166 124.4173 -206231.4821 17739.2086 0.0000 0.0000 34324.3653 -149275.9140 299.7632 -183600.2792 -149176.7637 299.4003 45.2024 76.1450 555789.9184 7.0377 6.8673 PRESSURE: 2258800 -92.2526 129.376 115.891 129.376 2.76209 -188.217 115.89 -188.218 16.3899 GPRESSURE: 2258800 -36.9434 -13.2698 163.38 272.565 31.4757 -167.421 115.86 -90.948 47.5857 PRESSAVG: 2258800 34.9578 53.7823 48.2742 53.7823 -47.256 13.2846 48.2742 13.2843 54.2153 GPRESSAVG: 2258800 35.9532 52.1791 48.688 55.3771 -47.8638 12.8023 48.3889 14.1836 54.592 TIMING: 2258800 CPU: 6725.9, 0.00300568/step Wall: 6725.9, 0.00300568/step, 2.28866 hours remaining, 206.386719 MB of memory in use. ENERGY: 2258800 740.2023 2069.6012 1961.8751 119.5983 -206255.8339 17760.9113 0.0000 0.0000 34286.7466 -149316.8991 299.4347 -183603.6457 -149232.6957 299.1549 -24.3669 14.0393 556065.3116 13.9724 14.2272 PRESSURE: 2259000 175.129 47.3267 -71.9427 47.326 139.398 -4.05938 -71.9419 -4.06046 -76.6591 GPRESSURE: 2259000 162.596 73.7984 0.51649 58.7542 195.789 -76.0362 -99.2416 -17.1611 -33.1639 PRESSAVG: 2259000 53.1985 19.6196 -16.4286 19.6196 -34.3644 0.459816 -16.4286 0.459905 -32.7013 GPRESSAVG: 2259000 53.5825 22.6986 -15.7619 19.0269 -33.6231 0.0526755 -16.8627 -0.191331 -33.89 TIMING: 2259000 CPU: 6726.5, 0.00300502/step Wall: 6726.5, 0.00300502/step, 2.28799 hours remaining, 206.386719 MB of memory in use. ENERGY: 2259000 715.1678 2088.5249 1931.3110 120.2455 -206382.6588 18044.8709 0.0000 0.0000 34185.8508 -149296.6879 298.5535 -183482.5387 -149196.0723 299.4324 79.2894 108.4071 556791.4921 -4.6224 -4.6435 PRESSURE: 2259200 -117.075 -116.642 -91.8831 -116.643 -65.3629 -22.4926 -91.8834 -22.4934 209.931 GPRESSURE: 2259200 -62.4464 -84.6329 -70.6882 -57.2721 0.114043 -44.5008 -124.639 20.1926 195.052 PRESSAVG: 2259200 -14.4749 -9.87537 -33.0237 -9.87527 35.1102 15.6633 -33.0237 15.6633 -11.1887 GPRESSAVG: 2259200 -15.7855 -10.78 -34.3566 -8.84662 33.8439 15.4706 -32.1972 17.3041 -8.74163 TIMING: 2259200 CPU: 6727.09, 0.0029871/step Wall: 6727.09, 0.0029871/step, 2.27418 hours remaining, 206.386719 MB of memory in use. ENERGY: 2259200 752.0510 2119.9464 1944.5828 107.6720 -206249.2276 17891.9086 0.0000 0.0000 34110.5797 -149322.4871 297.8962 -183433.0668 -149227.2586 298.0915 9.1645 44.2399 558547.3466 3.1489 3.1056 PRESSURE: 2259400 94.5673 101.396 135.911 101.396 10.9209 10.2939 135.91 10.2935 20.2843 GPRESSURE: 2259400 127.2 100.808 130.063 136.86 71.9182 41.3091 187.995 -36.8704 48.4432 PRESSAVG: 2259400 -2.4739 26.0212 -12.497 26.0212 42.3934 -0.621175 -12.497 -0.621153 -4.2537 GPRESSAVG: 2259400 -1.92793 24.8742 -11.883 25.4665 42.8454 -1.3124 -12.9417 -2.13178 -5.68347 TIMING: 2259400 CPU: 6727.68, 0.00295241/step Wall: 6727.68, 0.00295241/step, 2.2476 hours remaining, 206.386719 MB of memory in use. ENERGY: 2259400 728.7288 2061.9605 1941.8428 113.0518 -206312.8475 17847.6086 0.0000 0.0000 34496.8766 -149122.7784 301.2698 -183619.6550 -149026.4057 298.8582 41.9242 82.5203 557466.0878 11.8886 11.7447 PRESSURE: 2259600 187.269 74.3643 -121.876 74.3632 190.7 152.39 -121.877 152.39 -162.402 GPRESSURE: 2259600 247.453 100.66 -225.876 118.442 190.486 176.612 -61.8505 195.086 -138.364 PRESSAVG: 2259600 47.9028 34.6368 57.4683 34.6367 13.7328 24.3705 57.4682 24.3705 -37.2609 GPRESSAVG: 2259600 46.8724 32.8474 55.3911 36.0079 13.7028 26.5618 59.5768 23.8937 -36.7019 TIMING: 2259600 CPU: 6728.28, 0.002981/step Wall: 6728.28, 0.002981/step, 2.2692 hours remaining, 206.386719 MB of memory in use. ENERGY: 2259600 767.1057 2040.6045 1924.8892 108.9564 -206373.3899 17971.6164 0.0000 0.0000 34399.7754 -149160.4424 300.4218 -183560.2178 -149061.0083 299.5492 71.8558 99.8584 557051.1149 8.1249 7.9578 PRESSURE: 2259800 -63.8403 18.3166 -142.75 18.3173 178.813 209.51 -142.751 209.511 131.753 GPRESSURE: 2259800 -3.64583 54.1217 -111.244 -38.6308 179.358 177.775 -41.138 270.018 175.548 PRESSAVG: 2259800 -22.3025 63.6188 -1.42883 63.6188 33.2559 47.8134 -1.42876 47.8134 -33.2522 GPRESSAVG: 2259800 -21.1843 66.3254 0.0107725 62.9139 31.9752 45.1808 -2.22247 48.302 -32.8653 TIMING: 2259800 CPU: 6728.88, 0.00299898/step Wall: 6728.88, 0.00299898/step, 2.28273 hours remaining, 206.386719 MB of memory in use. ENERGY: 2259800 733.2633 2063.7038 1945.7875 114.2249 -206235.4433 17937.5029 0.0000 0.0000 34072.0240 -149368.9369 297.5595 -183440.9609 -149263.8439 298.8654 82.2418 117.0867 557532.5539 -7.4329 -7.3581 PRESSURE: 2260000 -88.2965 -52.1409 281.695 -52.1409 -272.584 173.554 281.694 173.555 71.1664 GPRESSURE: 2260000 -90.2516 -61.3822 214.271 -0.226893 -118.29 110.972 295.129 229.178 20.064 PRESSAVG: 2260000 -40.3087 63.4278 28.5731 63.4279 -7.74306 8.89482 28.5731 8.89472 53.0182 GPRESSAVG: 2260000 -40.8191 63.4201 27.5026 62.8881 -7.6794 7.08727 28.3694 11.1576 53.0389 TIMING: 2260000 CPU: 6729.48, 0.00302314/step Wall: 6729.48, 0.00302314/step, 2.30095 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: 2260000 742.0230 2111.6288 1943.6538 112.1670 -205895.3951 17596.8138 0.0000 0.0000 34116.7766 -149272.3321 297.9503 -183389.1087 -149170.4179 298.6479 -96.5715 -62.8258 557930.0182 1.6555 1.5135 PRESSURE: 2260200 43.4458 -60.9282 -12.9831 -60.9281 219.959 -3.54123 -12.9851 -3.53928 28.5249 GPRESSURE: 2260200 62.9705 -155.654 7.26447 8.57101 230.964 -14.2881 -74.6474 11.4989 94.1578 PRESSAVG: 2260200 6.43769 11.2203 51.347 11.2204 -15.8222 13.3539 51.347 13.3539 6.38588 GPRESSAVG: 2260200 6.19563 11.4376 53.8751 11.8307 -16.0372 15.5348 50.8336 13.3738 7.11613 TIMING: 2260200 CPU: 6730.08, 0.00299817/step Wall: 6730.08, 0.00299817/step, 2.28177 hours remaining, 206.386719 MB of memory in use. ENERGY: 2260200 751.2223 2109.1879 1951.8258 115.5423 -206536.3196 18109.1238 0.0000 0.0000 34265.3560 -149234.0616 299.2479 -183499.4176 -149141.5017 299.0031 97.3098 129.3640 558565.7300 -0.9995 -0.9085 LDB: ============= START OF LOAD BALANCING ============== 6733.51 LDB: ============== END OF LOAD BALANCING =============== 6733.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6733.52 LDB: ============= START OF LOAD BALANCING ============== 6733.82 LDB: Largest compute 4849 load 0.027447 is 23.2% of average load 0.118075 LDB: Average compute 0.001718 is 1.5% of average load 0.118075 LDB: TIME 6733.82 LOAD: AVG 0.118075 MAX 0.205377 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.441 MB LDB: TIME 6733.82 LOAD: AVG 0.118075 MAX 0.205377 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.441 MB LDB: TIME 6733.82 LOAD: AVG 0.118075 MAX 0.205377 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.441 MB LDB: ============== END OF LOAD BALANCING =============== 6733.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6733.83 PRESSURE: 2260400 26.7186 -94.5368 58.4963 -94.5368 124.994 -109.221 58.4961 -109.222 54.3397 GPRESSURE: 2260400 94.6237 -42.3777 47.1438 -125.5 102.499 -112.309 52.692 -126.262 107.566 PRESSAVG: 2260400 -20.5094 -16.0802 13.9382 -16.0801 89.7822 -32.6735 13.9381 -32.6736 -13.7973 GPRESSAVG: 2260400 -20.9091 -16.9167 12.6543 -15.8549 90.209 -32.6121 13.9389 -35.2732 -14.0773 TIMING: 2260400 CPU: 6730.7, 0.00306167/step Wall: 6730.7, 0.00306167/step, 2.32993 hours remaining, 205.738281 MB of memory in use. ENERGY: 2260400 761.2511 2137.1330 1968.6342 126.8562 -206350.0948 17972.6657 0.0000 0.0000 34120.6842 -149262.8705 297.9844 -183383.5546 -149168.0374 299.0686 68.6843 101.5628 557538.6379 18.4918 18.4075 PRESSURE: 2260600 96.6866 124.237 -41.054 124.237 240.522 -52.5381 -41.0541 -52.538 -60.5829 GPRESSURE: 2260600 115.811 199.133 -67.9026 149.859 252.79 -44.6838 17.3657 -76.3883 6.26669 PRESSAVG: 2260600 -35.5379 20.3578 23.4704 20.3577 21.5496 11.6396 23.4703 11.6396 18.8905 GPRESSAVG: 2260600 -34.8388 20.25 22.4644 21.194 21.5756 12.5619 25.0447 12.1462 17.7242 TIMING: 2260600 CPU: 6731.3, 0.00300288/step Wall: 6731.3, 0.00300288/step, 2.28503 hours remaining, 205.738281 MB of memory in use. ENERGY: 2260600 750.0264 2112.4350 1951.1484 110.8526 -206399.4695 17908.1626 0.0000 0.0000 34174.3825 -149392.4621 298.4534 -183566.8446 -149291.9805 299.3500 92.2086 124.9559 557385.8233 1.6341 1.4870 PRESSURE: 2260800 -114.86 94.5087 103.549 94.5082 -91.0591 -44.6485 103.549 -44.6475 -119.052 GPRESSURE: 2260800 -69.7009 25.9766 72.9914 153.441 -38.1933 -148.677 135.917 51.7128 -125.022 PRESSAVG: 2260800 -65.9538 17.4964 82.5383 17.4964 -3.47738 30.9299 82.5383 30.9298 38.1503 GPRESSAVG: 2260800 -67.8246 19.2185 85.2415 16.8415 -4.46083 30.6309 79.2332 31.158 40.9117 TIMING: 2260800 CPU: 6731.89, 0.00296848/step Wall: 6731.89, 0.00296848/step, 2.25868 hours remaining, 205.738281 MB of memory in use. ENERGY: 2260800 738.7888 2059.5610 1946.5688 124.2973 -206309.3314 17703.2371 0.0000 0.0000 34328.5477 -149408.3309 299.7997 -183736.8786 -149309.6971 298.6828 -108.3237 -77.6388 557625.3460 -10.4270 -10.4579 PRESSURE: 2261000 158.629 21.3212 191.389 21.323 45.7011 -142.653 191.389 -142.653 -92.963 GPRESSURE: 2261000 205.75 56.3708 207.751 29.9833 31.6516 -111.204 246.99 -245.883 -35.7227 PRESSAVG: 2261000 -58.5785 -5.45118 12.2798 -5.45125 54.8511 -15.3226 12.2798 -15.3227 14.5489 GPRESSAVG: 2261000 -56.7767 -7.72029 11.4204 -5.2427 55.0303 -14.7997 13.6513 -16.4066 12.2395 TIMING: 2261000 CPU: 6732.49, 0.00297078/step Wall: 6732.49, 0.00297078/step, 2.26027 hours remaining, 205.738281 MB of memory in use. ENERGY: 2261000 743.9005 2062.2535 1943.8535 127.8990 -206357.3043 17765.7999 0.0000 0.0000 34337.0126 -149376.5853 299.8737 -183713.5979 -149284.5195 299.4765 37.1222 67.2264 557512.1609 3.6071 3.4977 PRESSURE: 2261200 -15.4132 -86.5055 34.3902 -86.5053 88.1932 -25.6188 34.39 -25.6192 127.973 GPRESSURE: 2261200 64.6148 -24.7588 45.9369 -172.653 90.3474 -19.0629 -60.5002 -68.9125 144.594 PRESSAVG: 2261200 26.4671 12.1437 -19.1056 12.1438 -66.3273 -15.4598 -19.1055 -15.4598 24.2791 GPRESSAVG: 2261200 26.0229 13.2944 -19.8545 12.8512 -67.1862 -17.3427 -19.3268 -15.7489 25.2731 TIMING: 2261200 CPU: 6733.09, 0.00300083/step Wall: 6733.09, 0.00300083/step, 2.28296 hours remaining, 205.738281 MB of memory in use. ENERGY: 2261200 739.5113 2079.6695 1960.7107 116.7893 -206389.2381 17907.1654 0.0000 0.0000 34227.1364 -149358.2555 298.9141 -183585.3919 -149262.3234 299.0628 66.9178 99.8522 556352.0937 -5.1937 -5.2967 PRESSURE: 2261400 24.1135 -28.1073 58.2315 -28.1061 63.7351 -26.9041 58.2314 -26.9049 115.441 GPRESSURE: 2261400 69.7098 -69.7199 29.3295 -7.55733 158.768 38.3008 38.1263 -36.9079 69.4662 PRESSAVG: 2261400 14.3635 1.67954 14.9668 1.67943 -21.0163 -20.8154 14.9668 -20.8155 6.48134 GPRESSAVG: 2261400 15.0194 -0.0353124 13.6827 0.816914 -20.8816 -20.7996 18.3291 -19.486 5.94589 TIMING: 2261400 CPU: 6733.69, 0.00300462/step Wall: 6733.69, 0.00300462/step, 2.28568 hours remaining, 205.738281 MB of memory in use. ENERGY: 2261400 715.7643 2122.6761 1912.2631 122.4114 -206831.8897 17990.4391 0.0000 0.0000 34453.8183 -149514.5173 300.8938 -183968.3356 -149411.7325 298.7145 67.7633 99.3146 555898.5413 -0.0572 0.0279 PRESSURE: 2261600 -111.532 6.6035 64.4194 6.60289 7.58633 -5.57743 64.4183 -5.57794 -68.5841 GPRESSURE: 2261600 -74.3641 113.428 12.5352 -121.877 83.114 -27.1634 15.0052 68.3957 -79.159 PRESSAVG: 2261600 -11.2553 37.6223 -0.379404 37.6223 81.269 -63.9254 -0.379401 -63.9255 -53.0933 GPRESSAVG: 2261600 -10.8483 38.8961 1.80824 37.0726 81.9244 -64.3474 -4.84507 -63.5964 -53.965 TIMING: 2261600 CPU: 6734.29, 0.00300185/step Wall: 6734.29, 0.00300185/step, 2.2834 hours remaining, 205.738281 MB of memory in use. ENERGY: 2261600 705.0411 2067.7294 1954.3694 112.6089 -206159.3557 17680.1698 0.0000 0.0000 34157.8770 -149481.5599 298.3092 -183639.4369 -149374.3024 299.0436 -57.5099 -23.4697 557796.9475 5.6401 5.7037 PRESSURE: 2261800 218.007 56.6166 51.5102 56.6169 -28.1203 37.3872 51.5109 37.3871 12.1386 GPRESSURE: 2261800 282.983 60.7636 105.073 131.158 -3.56889 -70.9859 17.9409 65.7062 31.4775 PRESSAVG: 2261800 61.5071 35.4986 -69.7973 35.4987 20.1737 -6.74191 -69.7974 -6.74194 -46.9547 GPRESSAVG: 2261800 60.4639 36.7959 -72.4953 34.9049 19.9473 -7.95394 -66.9079 -6.54844 -45.589 TIMING: 2261800 CPU: 6734.89, 0.00300223/step Wall: 6734.89, 0.00300223/step, 2.28353 hours remaining, 205.738281 MB of memory in use. ENERGY: 2261800 732.2829 2156.2305 1936.9911 122.9373 -206731.9639 18069.6472 0.0000 0.0000 34291.1024 -149422.7724 299.4727 -183713.8747 -149329.2813 298.2850 67.3416 103.6306 556050.5804 11.5754 11.6074 PRESSURE: 2262000 -393.322 -187.567 -140.055 -187.567 -154.304 -43.2746 -140.054 -43.2771 -358.308 GPRESSURE: 2262000 -346.014 -180.801 -80.1248 -178.72 -146.685 33.6995 -94.1434 -50.1652 -319.483 PRESSAVG: 2262000 29.7822 26.024 -22.9044 26.0241 -5.77378 0.0927924 -22.9043 0.0928509 -57.4539 GPRESSAVG: 2262000 29.7597 26.8085 -21.5682 28.1511 -5.73378 2.5287 -24.1887 0.454134 -57.8062 TIMING: 2262000 CPU: 6735.48, 0.00298434/step Wall: 6735.48, 0.00298434/step, 2.26976 hours remaining, 205.738281 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: 2262000 782.7597 2094.1310 1934.2396 112.4892 -205702.7609 17245.2561 0.0000 0.0000 34171.7116 -149362.1737 298.4301 -183533.8853 -149254.5175 298.6690 -301.9778 -270.7275 557414.2395 -11.1485 -11.2601 PRESSURE: 2262200 -119.94 85.9613 -197.573 85.9623 -305.933 -94.4621 -197.573 -94.4627 -160.284 GPRESSURE: 2262200 -116.846 53.1585 -200.182 122.608 -268.913 -82.1066 -90.1673 -85.0152 -113.957 PRESSAVG: 2262200 25.6925 -65.1836 -86.488 -65.1836 -13.7373 -51.8928 -86.4881 -51.8929 -34.174 GPRESSAVG: 2262200 25.8946 -67.0492 -84.4686 -64.2514 -13.5327 -51.9448 -87.3279 -53.7002 -34.3082 TIMING: 2262200 CPU: 6736.09, 0.00300598/step Wall: 6736.09, 0.00300598/step, 2.28605 hours remaining, 205.738281 MB of memory in use. ENERGY: 2262200 767.4823 2098.5514 1946.4678 122.7119 -205853.6215 17497.4507 0.0000 0.0000 33981.8852 -149439.0721 296.7723 -183420.9573 -149343.2326 298.9572 -195.3855 -166.5719 555952.1021 -7.4063 -7.3154 PRESSURE: 2262400 86.6036 -75.3152 -41.0534 -75.315 -218.587 192.693 -41.0523 192.695 2.52621 GPRESSURE: 2262400 116.617 -122.213 -27.9342 -68.9084 -183.723 269.221 -64.6357 113.726 22.5673 PRESSAVG: 2262400 -4.99655 -13.8893 -12.1819 -13.8893 -39.3559 44.5108 -12.1818 44.5107 5.15287 GPRESSAVG: 2262400 -4.81316 -15.5324 -14.2276 -14.9564 -40.1899 43.4668 -11.627 44.5518 5.61122 TIMING: 2262400 CPU: 6736.69, 0.00302712/step Wall: 6736.69, 0.00302712/step, 2.30195 hours remaining, 205.738281 MB of memory in use. ENERGY: 2262400 712.5136 2117.3790 1917.5487 104.0638 -206150.6905 17513.3572 0.0000 0.0000 34223.9962 -149561.8320 298.8867 -183785.8282 -149467.7233 298.3756 -43.1525 -14.8461 555738.7021 -13.0665 -13.1306 PRESSURE: 2262600 -206.589 -165.6 -171.126 -165.6 -81.6566 -44.7052 -171.127 -44.7039 -390.962 GPRESSURE: 2262600 -131.419 -85.9946 -188.555 -176.896 -92.5389 -55.2882 -152.671 -45.164 -347.216 PRESSAVG: 2262600 36.6812 -37.9732 -25.4231 -37.9731 -40.3159 26.7276 -25.4231 26.7277 28.1637 GPRESSAVG: 2262600 37.264 -36.9762 -25.0788 -38.2564 -40.2683 25.9184 -25.4694 27.3045 27.5866 TIMING: 2262600 CPU: 6737.3, 0.00304247/step Wall: 6737.3, 0.00304247/step, 2.31346 hours remaining, 205.738281 MB of memory in use. ENERGY: 2262600 723.9432 2031.7491 1968.1295 114.2716 -206133.2908 17510.4090 0.0000 0.0000 34296.1000 -149488.6885 299.5164 -183784.7884 -149391.8936 298.5601 -226.4027 -190.3912 556594.6417 8.1763 8.1941 PRESSURE: 2262800 15.4078 107.451 -79.1861 107.452 118.628 126.672 -79.1862 126.672 -90.9326 GPRESSURE: 2262800 31.8777 109.463 5.38238 136.048 166.033 116.457 -131.947 57.0305 -56.4456 PRESSAVG: 2262800 89.5948 9.20293 -69.5163 9.2029 -25.2025 -48.0167 -69.5163 -48.0168 -44.1831 GPRESSAVG: 2262800 90.0868 10.6022 -68.4892 8.8895 -25.3226 -48.687 -69.6173 -46.3242 -44.5648 TIMING: 2262800 CPU: 6737.91, 0.00304529/step Wall: 6737.91, 0.00304529/step, 2.31543 hours remaining, 205.738281 MB of memory in use. ENERGY: 2262800 751.6750 2073.6426 1938.5699 124.3395 -206431.0325 17932.2912 0.0000 0.0000 34060.5012 -149550.0130 297.4588 -183610.5142 -149457.1854 297.7032 14.3677 47.1550 557652.7273 6.7364 6.7331 PRESSURE: 2263000 -290.502 13.0963 109.769 13.0982 67.972 72.7649 109.767 72.7657 95.9554 GPRESSURE: 2263000 -189.401 68.6919 127.597 10.3167 124.206 99.5326 141.962 81.8169 40.8857 PRESSAVG: 2263000 74.7239 14.9287 -31.4149 14.9288 -40.7737 2.99857 -31.4149 2.99864 -23.9868 GPRESSAVG: 2263000 72.8829 14.2448 -30.2212 14.441 -39.4666 3.28182 -30.9428 1.72298 -23.7535 TIMING: 2263000 CPU: 6738.51, 0.00300306/step Wall: 6738.51, 0.00300306/step, 2.28316 hours remaining, 205.738281 MB of memory in use. ENERGY: 2263000 717.5865 2041.0439 1936.3651 111.7294 -206090.4083 17532.9385 0.0000 0.0000 34095.8457 -149654.8992 297.7675 -183750.7449 -149556.2248 297.6806 -42.1917 -8.1031 555748.6599 3.3211 3.2209 PRESSURE: 2263200 23.8909 70.4707 -11.0012 70.4704 105.129 155.413 -11.0019 155.412 60.0864 GPRESSURE: 2263200 74.7668 134.391 -82.7776 -9.57811 93.73 140.352 -56.9508 -53.368 121.166 PRESSAVG: 2263200 21.6626 13.6387 -80.8956 13.6387 -7.19487 43.0115 -80.8957 43.0114 1.95306 GPRESSAVG: 2263200 22.1811 14.3048 -81.9305 13.4903 -8.53568 43.112 -81.3228 43.4897 2.96084 TIMING: 2263200 CPU: 6739.11, 0.00298851/step Wall: 6739.11, 0.00298851/step, 2.27194 hours remaining, 205.738281 MB of memory in use. ENERGY: 2263200 733.4293 2091.5230 1939.4049 115.9274 -206423.4501 17822.0746 0.0000 0.0000 34242.5084 -149478.5824 299.0483 -183721.0908 -149378.3812 298.0439 63.0354 96.5544 556106.6819 5.4736 5.5354 PRESSURE: 2263400 -56.6033 -17.0942 78.8167 -17.0936 -55.3871 83.3399 78.8171 83.3419 -150.13 GPRESSURE: 2263400 -1.54294 -71.9342 108.449 -5.42207 -11.9455 86.0397 89.7432 31.1495 -145.21 PRESSAVG: 2263400 -24.106 92.0471 6.31253 92.0472 31.9233 -2.86724 6.31249 -2.86728 -33.2535 GPRESSAVG: 2263400 -24.054 92.2806 5.66496 91.2341 31.728 -2.48519 5.58807 -5.07619 -33.417 TIMING: 2263400 CPU: 6739.71, 0.00300481/step Wall: 6739.71, 0.00300481/step, 2.28416 hours remaining, 205.738281 MB of memory in use. ENERGY: 2263400 766.4488 2069.4843 1926.6524 98.5682 -206081.2064 17625.9345 0.0000 0.0000 34040.9464 -149553.1719 297.2881 -183594.1182 -149448.3786 297.9498 -87.3736 -52.8996 557939.1326 -8.4787 -8.5810 PRESSURE: 2263600 89.0843 -83.2132 144.34 -83.2128 -77.1254 -40.9289 144.34 -40.9292 -153.502 GPRESSURE: 2263600 104.58 -75.865 69.4295 -74.406 -69.2381 78.9442 207.238 -109.162 -70.277 PRESSAVG: 2263600 -35.7791 -19.0206 13.2688 -19.0206 -20.605 47.4511 13.2688 47.4511 25.2233 GPRESSAVG: 2263600 -36.5297 -20.3779 11.8603 -18.0326 -20.4432 48.2082 15.5541 49.5824 24.9485 TIMING: 2263600 CPU: 6740.31, 0.00299736/step Wall: 6740.31, 0.00299736/step, 2.27833 hours remaining, 205.738281 MB of memory in use. ENERGY: 2263600 756.6310 2020.6072 1970.6554 116.2707 -206486.5837 17940.6542 0.0000 0.0000 34136.6622 -149545.1032 298.1240 -183681.7654 -149443.8095 297.9670 -47.1810 -11.6449 557974.5945 -10.3869 -10.6748 PRESSURE: 2263800 20.635 10.6941 -212.627 10.6954 76.5347 18.1036 -212.627 18.1019 -637.819 GPRESSURE: 2263800 20.7694 25.7303 -158.047 32.3235 104.247 72.2712 -191.859 26.0146 -565.394 PRESSAVG: 2263800 24.065 -17.1831 21.6277 -17.1831 28.5257 6.0189 21.6277 6.01892 -56.9105 GPRESSAVG: 2263800 23.9024 -16.9892 24.8304 -17.5981 28.7659 4.75667 19.0211 4.63619 -57.0052 TIMING: 2263800 CPU: 6740.91, 0.00299434/step Wall: 6740.91, 0.00299434/step, 2.27586 hours remaining, 205.738281 MB of memory in use. ENERGY: 2263800 760.1546 2081.9564 1960.2073 113.5673 -206343.3462 17632.8840 0.0000 0.0000 34258.8060 -149535.7707 299.1907 -183794.5766 -149441.6635 298.3918 -180.2165 -146.7926 557950.9936 -1.4399 -1.4456 PRESSURE: 2264000 98.3459 116.843 53.6992 116.843 18.4492 24.1836 53.6998 24.1822 -118.441 GPRESSURE: 2264000 119.782 180.473 -38.3876 92.1882 77.3999 28.1943 69.4489 64.8526 -117.239 PRESSAVG: 2264000 -32.2388 -42.138 -72.2069 -42.138 29.9699 11.5959 -72.2068 11.5959 13.3989 GPRESSAVG: 2264000 -31.6291 -42.674 -74.5022 -41.3556 29.5304 12.7186 -69.7659 12.2905 13.9464 TIMING: 2264000 CPU: 6741.5, 0.00299522/step Wall: 6741.5, 0.00299522/step, 2.27636 hours remaining, 205.738281 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: 2264000 745.4164 2049.4624 1943.6299 103.0494 -206127.0550 17706.5752 0.0000 0.0000 34148.5351 -149430.3865 298.2277 -183578.9216 -149326.1703 298.7234 -0.5485 26.6474 557637.1389 3.7100 3.9492 PRESSURE: 2264200 17.168 -166.358 122.211 -166.357 -239.709 59.9846 122.21 59.9856 56.2204 GPRESSURE: 2264200 -14.702 -129.244 71.2165 -182.777 -219.289 69.1313 147.376 96.9848 159.125 PRESSAVG: 2264200 -47.4585 -35.6121 -60.2217 -35.612 -4.5531 -11.2446 -60.2217 -11.2445 7.42972 GPRESSAVG: 2264200 -47.215 -35.6395 -60.5046 -35.4618 -4.27192 -10.8961 -60.1376 -10.4004 6.88047 TIMING: 2264200 CPU: 6742.1, 0.0029934/step Wall: 6742.1, 0.0029934/step, 2.27482 hours remaining, 205.738281 MB of memory in use. ENERGY: 2264200 779.5192 2079.7855 1947.3478 104.3125 -206249.7502 17983.3893 0.0000 0.0000 33933.2543 -149422.1415 296.3475 -183355.3958 -149330.8476 298.4053 -55.4402 -24.9556 558899.3256 -14.8606 -14.8688 LDB: ============= START OF LOAD BALANCING ============== 6745.53 LDB: ============== END OF LOAD BALANCING =============== 6745.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6745.54 LDB: ============= START OF LOAD BALANCING ============== 6745.84 LDB: Largest compute 4821 load 0.027072 is 22.9% of average load 0.117995 LDB: Average compute 0.001710 is 1.4% of average load 0.117995 LDB: TIME 6745.84 LOAD: AVG 0.117995 MAX 0.203435 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.488 MB LDB: TIME 6745.84 LOAD: AVG 0.117995 MAX 0.203435 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.551 MB LDB: TIME 6745.84 LOAD: AVG 0.117995 MAX 0.203435 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.551 MB LDB: ============== END OF LOAD BALANCING =============== 6745.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6745.85 PRESSURE: 2264400 -40.2749 -91.4965 111.559 -91.4967 -177.038 -53.8715 111.559 -53.8712 101.938 GPRESSURE: 2264400 -22.6189 -52.3326 57.1163 -96.9716 -135.379 -90.5901 128.642 4.90003 148.938 PRESSAVG: 2264400 -51.9571 13.4965 1.17657 13.4966 -23.2187 -24.1517 1.1767 -24.1517 36.1853 GPRESSAVG: 2264400 -52.5725 16.0562 3.08034 13.13 -22.4006 -25.7669 -0.54691 -24.5023 36.29 TIMING: 2264400 CPU: 6742.72, 0.0030806/step Wall: 6742.72, 0.0030806/step, 2.34091 hours remaining, 208.109375 MB of memory in use. ENERGY: 2264400 760.4648 2075.7163 1927.4985 126.9953 -206115.8284 17817.4681 0.0000 0.0000 34009.5381 -149398.1473 297.0138 -183407.6854 -149307.3144 298.1559 -38.4583 -3.0199 557756.1459 -12.9968 -12.8944 PRESSURE: 2264600 86.7013 98.9901 -58.3346 98.989 -78.8371 73.1105 -58.3364 73.1101 -83.3582 GPRESSURE: 2264600 160.278 39.6344 -87.1725 89.5973 -86.4901 4.51613 -47.3117 56.4003 -41.5027 PRESSAVG: 2264600 -3.74691 -13.7399 -3.55089 -13.7399 -36.7267 -18.744 -3.55085 -18.7442 47.7391 GPRESSAVG: 2264600 -3.42828 -15.2599 -5.64952 -13.1341 -37.5888 -17.7067 -4.43432 -18.1257 48.263 TIMING: 2264600 CPU: 6743.32, 0.00299164/step Wall: 6743.32, 0.00299164/step, 2.27315 hours remaining, 208.179688 MB of memory in use. ENERGY: 2264600 741.8046 2043.5303 1955.2411 113.7806 -206302.7441 17809.3742 0.0000 0.0000 34226.6562 -149412.3571 298.9099 -183639.0132 -149314.8827 298.7322 -25.1647 10.7617 557608.8777 2.4218 2.4153 PRESSURE: 2264800 -133.915 113.179 -117.236 113.179 -109.064 -111.412 -117.236 -111.413 113.374 GPRESSURE: 2264800 -96.8006 77.7988 -48.4251 198.284 -90.9719 -58.2532 -158.426 -112.26 160.3 PRESSAVG: 2264800 8.61014 -24.6581 19.0408 -24.658 -35.6347 14.6544 19.0407 14.6543 31.5979 GPRESSAVG: 2264800 9.19761 -23.9944 18.3196 -25.7076 -36.4253 12.3028 20.2712 14.2752 31.8198 TIMING: 2264800 CPU: 6743.91, 0.0029737/step Wall: 6743.91, 0.0029737/step, 2.25935 hours remaining, 208.179688 MB of memory in use. ENERGY: 2264800 745.7989 2141.5487 1938.6617 108.3687 -206143.4916 17619.1736 0.0000 0.0000 34223.0726 -149366.8673 298.8786 -183589.9399 -149271.7431 298.7095 -43.2019 -9.1573 557306.7663 1.5245 1.5307 PRESSURE: 2265000 -520.665 -91.4451 -38.673 -91.4442 -328.61 -152.655 -38.6726 -152.654 -142.477 GPRESSURE: 2265000 -452.62 -77.3717 15.196 -63.7608 -280.532 -199.86 -65.4829 -71.3171 -164.296 PRESSAVG: 2265000 -34.4048 -30.9979 -5.15408 -30.9979 -21.1061 -66.831 -5.1541 -66.831 57.9944 GPRESSAVG: 2265000 -34.1547 -31.3879 -4.55524 -30.4632 -20.3315 -65.6487 -4.7333 -66.7497 57.2684 TIMING: 2265000 CPU: 6744.51, 0.00299377/step Wall: 6744.51, 0.00299377/step, 2.27443 hours remaining, 208.179688 MB of memory in use. ENERGY: 2265000 748.7603 2118.9934 1963.0102 136.8697 -205727.6394 17283.9767 0.0000 0.0000 34308.8113 -149167.2178 299.6274 -183476.0291 -149071.1858 299.1377 -330.5838 -299.1492 558274.7775 0.8278 0.9274 PRESSURE: 2265200 -324.317 14.5619 -26.8367 14.5635 45.8721 -12.7219 -26.8364 -12.7218 -73.3971 GPRESSURE: 2265200 -245.943 -35.2179 -35.0186 22.9303 40.2025 -17.1694 19.032 -40.5108 -53.1275 PRESSAVG: 2265200 -101.566 -41.5365 1.81941 -41.5365 27.9474 10.9151 1.81942 10.9151 50.6379 GPRESSAVG: 2265200 -101.579 -41.4533 2.78364 -41.3839 26.4034 12.3804 1.77259 9.96758 51.7808 TIMING: 2265200 CPU: 6745.11, 0.00299522/step Wall: 6745.11, 0.00299522/step, 2.27537 hours remaining, 208.179688 MB of memory in use. ENERGY: 2265200 773.3104 2094.1800 1923.0450 113.5413 -206083.6799 17744.3221 0.0000 0.0000 34173.2775 -149262.0036 298.4437 -183435.2811 -149168.1856 299.4689 -117.2806 -86.2893 557652.3467 -7.6603 -7.7984 PRESSURE: 2265400 -68.9453 56.0256 141.486 56.0249 208.027 37.8907 141.486 37.8928 21.0991 GPRESSURE: 2265400 -51.2514 -21.6348 158.391 91.1646 207.952 -60.7343 32.496 37.543 97.7055 PRESSAVG: 2265400 -17.6639 30.3895 -38.8318 30.3894 1.02687 6.58959 -38.8318 6.58943 56.817 GPRESSAVG: 2265400 -16.9956 29.708 -38.007 31.6159 2.0121 6.13282 -39.6618 6.30827 55.4894 TIMING: 2265400 CPU: 6745.71, 0.0029962/step Wall: 6745.71, 0.0029962/step, 2.27595 hours remaining, 208.179688 MB of memory in use. ENERGY: 2265400 791.9672 2126.2577 1939.2383 107.1433 -206482.6784 18036.2772 0.0000 0.0000 34274.8702 -149206.9245 299.3310 -183481.7947 -149112.5025 299.6728 53.3938 84.8020 557892.0761 13.3933 13.5020 PRESSURE: 2265600 -203.526 41.2789 51.0324 41.2793 -386.716 -95.4719 51.0329 -95.4702 56.84 GPRESSURE: 2265600 -161.793 -0.298905 56.8667 74.1338 -390.844 -85.5307 65.6217 -87.5859 119.661 PRESSAVG: 2265600 -13.4865 43.3756 10.1199 43.3756 3.15562 15.9466 10.1199 15.9466 46.8989 GPRESSAVG: 2265600 -15.3157 42.1011 8.81139 43.7648 4.21817 15.4136 10.1452 17.4021 47.2194 TIMING: 2265600 CPU: 6746.31, 0.0029817/step Wall: 6746.31, 0.0029817/step, 2.26477 hours remaining, 208.179688 MB of memory in use. ENERGY: 2265600 760.1416 2158.7723 1961.2358 115.5914 -205947.4120 17540.1417 0.0000 0.0000 34155.6953 -149255.8339 298.2902 -183411.5292 -149159.1108 299.6091 -177.8006 -144.3251 558686.8511 12.1893 12.0406 PRESSURE: 2265800 -56.4331 127.101 -2.13627 127.1 -270.01 -103.795 -2.1354 -103.794 24.8457 GPRESSURE: 2265800 -61.8681 80.4443 -45.1681 99.2404 -246.481 -86.0642 -68.3246 -18.9412 96.0034 PRESSAVG: 2265800 51.3435 47.4293 -34.5013 47.4293 -42.2942 -21.6943 -34.5013 -21.6942 -31.4445 GPRESSAVG: 2265800 52.4027 49.1724 -34.0183 44.4828 -44.1124 -21.72 -33.1408 -21.0128 -30.4828 TIMING: 2265800 CPU: 6746.9, 0.00298417/step Wall: 6746.9, 0.00298417/step, 2.26648 hours remaining, 208.179688 MB of memory in use. ENERGY: 2265800 753.5027 2136.4089 1939.0252 113.9467 -206026.6364 17655.3695 0.0000 0.0000 34121.3617 -149307.0217 297.9903 -183428.3834 -149207.9488 299.1471 -100.5323 -70.7819 557916.8169 -7.4651 -7.3975 PRESSURE: 2266000 229.331 137.293 31.4326 137.293 29.9539 13.7221 31.4331 13.7226 118.819 GPRESSURE: 2266000 226.032 74.1301 -28.6721 170.501 44.2269 -29.3358 30.4288 14.6188 198.053 PRESSAVG: 2266000 8.00748 34.4272 -23.5925 34.4272 -33.0185 49.0086 -23.5925 49.0086 24.796 GPRESSAVG: 2266000 7.6801 32.9512 -23.8134 36.1488 -32.4626 49.6272 -27.7869 46.3839 24.2355 TIMING: 2266000 CPU: 6747.5, 0.0029947/step Wall: 6747.5, 0.0029947/step, 2.27431 hours remaining, 208.179688 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: 2266000 736.2550 2086.1020 1935.8514 112.1953 -206316.3273 17828.6610 0.0000 0.0000 34401.6294 -149215.6331 300.4380 -183617.2625 -149116.9502 299.3236 126.0348 156.1040 555449.5512 -0.0717 -0.1823 PRESSURE: 2266200 -13.4729 -11.5581 -37.8227 -11.5568 106.333 -27.5366 -37.8216 -27.5373 159.209 GPRESSURE: 2266200 78.5043 -18.076 -127.511 -42.6804 145.111 -49.7854 2.25251 13.9113 128.218 PRESSAVG: 2266200 49.1709 39.2037 -15.2241 39.2037 -18.5614 -38.8372 -15.224 -38.8372 -19.7663 GPRESSAVG: 2266200 50.1683 39.4578 -16.1856 39.0116 -18.6423 -39.9976 -14.721 -38.3096 -20.7312 TIMING: 2266200 CPU: 6748.1, 0.00299641/step Wall: 6748.1, 0.00299641/step, 2.27544 hours remaining, 208.179688 MB of memory in use. ENERGY: 2266200 738.2968 2086.2402 1910.9258 124.8356 -206229.9193 17764.9511 0.0000 0.0000 34260.9023 -149343.7674 299.2090 -183604.6697 -149240.0338 299.4854 84.0231 117.2779 554878.3338 3.6144 3.5983 PRESSURE: 2266400 -47.397 160.494 -46.5407 160.495 120.079 187.302 -46.5414 187.301 -279.066 GPRESSURE: 2266400 -57.5627 130.118 -78.5213 176.918 134.469 163.691 -98.2151 220.801 -179.387 PRESSAVG: 2266400 29.7363 -1.23236 -20.214 -1.23229 -3.9346 2.01166 -20.2141 2.01171 -15.9587 GPRESSAVG: 2266400 29.0354 -0.188748 -20.1889 -2.8864 -3.29698 2.74221 -18.4927 2.59391 -16.1018 TIMING: 2266400 CPU: 6748.7, 0.00298358/step Wall: 6748.7, 0.00298358/step, 2.26553 hours remaining, 208.179688 MB of memory in use. ENERGY: 2266400 744.5117 2108.2473 1945.2892 114.9625 -206415.4395 17784.2816 0.0000 0.0000 34325.5365 -149392.6107 299.7734 -183718.1472 -149293.0064 299.6230 -68.7946 -34.1604 558099.3706 3.2810 3.2122 PRESSURE: 2266600 256.98 55.6794 57.1558 55.6796 260.248 58.5398 57.1562 58.5397 31.5913 GPRESSURE: 2266600 238.662 31.8201 72.3252 -7.1484 330.622 -0.454728 45.6903 106.02 73.6125 PRESSAVG: 2266600 -13.3241 59.833 0.904158 59.833 7.85033 5.58184 0.904165 5.58181 -1.15773 GPRESSAVG: 2266600 -13.2193 59.344 3.31418 61.8944 7.09165 6.54396 -0.225542 4.88946 -0.802047 TIMING: 2266600 CPU: 6749.3, 0.0030074/step Wall: 6749.3, 0.0030074/step, 2.28345 hours remaining, 208.179688 MB of memory in use. ENERGY: 2266600 744.8763 2146.0789 1939.5766 107.0250 -206469.1409 18071.7692 0.0000 0.0000 34103.3281 -149356.4869 297.8328 -183459.8150 -149268.0288 298.8651 182.9397 214.2990 557100.5470 -2.2105 -2.3099 PRESSURE: 2266800 -17.3225 148.434 1.29309 148.436 -262.562 62.6633 1.29398 62.6623 -204.665 GPRESSURE: 2266800 -15.1514 98.9916 85.5593 131.866 -204.479 201.448 -33.5721 12.0047 -158.301 PRESSAVG: 2266800 -15.6951 -5.04436 -7.50923 -5.04437 21.4665 -16.6544 -7.50914 -16.6544 -12.9245 GPRESSAVG: 2266800 -15.3351 -3.9211 -10.3738 -5.63779 20.4998 -16.8082 -7.04819 -15.0277 -12.9884 TIMING: 2266800 CPU: 6749.89, 0.002977/step Wall: 6749.89, 0.002977/step, 2.2602 hours remaining, 208.179688 MB of memory in use. ENERGY: 2266800 780.7545 2046.1734 1982.4251 121.1609 -205977.2800 17561.7953 0.0000 0.0000 33983.5443 -149501.4264 296.7867 -183484.9707 -149404.0866 298.3143 -161.5166 -125.9772 556934.5316 -2.3844 -2.6079 PRESSURE: 2267000 99.8515 151.92 82.8326 151.92 -250.234 67.3161 82.8325 67.3151 -158.982 GPRESSURE: 2267000 184.88 94.5232 191.358 94.9544 -196.711 130.394 21.0948 23.0135 -191.481 PRESSAVG: 2267000 -5.87653 -31.3842 -14.574 -31.3842 3.78039 17.2015 -14.574 17.2014 -5.11124 GPRESSAVG: 2267000 -6.21694 -31.647 -12.4338 -32.8244 4.94616 18.4868 -13.7901 15.383 -5.10823 TIMING: 2267000 CPU: 6750.5, 0.00303443/step Wall: 6750.5, 0.00303443/step, 2.30364 hours remaining, 208.179688 MB of memory in use. ENERGY: 2267000 753.4238 2060.4712 1910.0776 119.8608 -206121.8065 17662.0955 0.0000 0.0000 34384.5143 -149231.3633 300.2885 -183615.8776 -149133.9365 298.5711 -103.1215 -67.7705 558938.2983 -2.4025 -2.1263 PRESSURE: 2267200 99.0748 75.7621 -66.6946 75.763 -105.422 -45.9723 -66.6947 -45.9719 215.83 GPRESSURE: 2267200 132.386 17.7803 -31.7627 118.602 -61.2176 -71.1239 -73.1178 15.492 229.339 PRESSAVG: 2267200 89.6158 -51.355 -33.664 -51.3549 -45.6842 -7.31447 -33.664 -7.31439 15.9888 GPRESSAVG: 2267200 89.324 -50.5309 -35.9106 -51.533 -46.6634 -7.82174 -33.5868 -7.06374 17.3811 TIMING: 2267200 CPU: 6751.1, 0.00301165/step Wall: 6751.1, 0.00301165/step, 2.28618 hours remaining, 208.179688 MB of memory in use. ENERGY: 2267200 722.7230 2143.6116 1915.8751 104.3868 -206374.0689 18012.3054 0.0000 0.0000 34166.7978 -149308.3693 298.3871 -183475.1670 -149213.9332 299.1672 69.8275 100.1690 557612.5827 19.9735 20.0139 PRESSURE: 2267400 -50.0635 24.5501 -90.3506 24.5509 -8.45938 -100.516 -90.3503 -100.515 100.926 GPRESSURE: 2267400 20.9833 43.214 6.08118 0.229758 -26.3132 -102.324 -92.6812 -85.3763 135.447 PRESSAVG: 2267400 55.1186 19.6199 -2.02193 19.62 -80.2059 -10.9521 -2.02184 -10.9522 22.9812 GPRESSAVG: 2267400 56.2157 16.9821 0.775562 19.8175 -79.4967 -10.4072 -4.96387 -10.1343 21.4377 TIMING: 2267400 CPU: 6751.7, 0.00298704/step Wall: 6751.7, 0.00298704/step, 2.26733 hours remaining, 208.179688 MB of memory in use. ENERGY: 2267400 783.7593 2070.4095 1961.0304 124.5460 -206248.2759 17852.1998 0.0000 0.0000 34305.2747 -149151.0562 299.5965 -183456.3309 -149051.3173 299.2114 14.1344 43.3723 557566.5192 -0.7020 -0.6144 PRESSURE: 2267600 -342.47 137.534 -76.278 137.534 -266.189 -111.935 -76.2782 -111.936 -226.834 GPRESSURE: 2267600 -235.46 130.699 -40.4713 100.311 -275.247 -126.34 -127.421 -137.57 -229.484 PRESSAVG: 2267600 25.1638 9.00936 26.31 9.00924 15.4553 -4.40456 26.3099 -4.40447 -12.8424 GPRESSAVG: 2267600 25.2655 12.3574 24.1943 10.8243 14.947 -4.52984 31.6255 -5.94824 -12.2358 TIMING: 2267600 CPU: 6752.3, 0.0029877/step Wall: 6752.3, 0.0029877/step, 2.26766 hours remaining, 208.179688 MB of memory in use. ENERGY: 2267600 810.3034 2127.5952 1930.8227 119.0886 -205304.0073 17261.6092 0.0000 0.0000 33939.5774 -149115.0107 296.4028 -183054.5881 -149023.7641 298.6641 -278.4976 -246.7302 557484.9298 9.2589 9.3256 PRESSURE: 2267800 -184.572 183.552 4.93443 183.552 -6.55482 -6.68074 4.93391 -6.68111 125.569 GPRESSURE: 2267800 -131.547 253.609 22.0567 123.135 -4.62317 -63.3519 -57.4856 17.7016 177.391 PRESSAVG: 2267800 52.3438 45.6487 -7.67025 45.6487 -39.2414 8.21759 -7.6702 8.21761 -5.15484 GPRESSAVG: 2267800 52.3243 44.8873 -5.95031 46.7748 -39.0021 8.29731 -12.1657 8.12964 -5.52939 TIMING: 2267800 CPU: 6752.9, 0.00302136/step Wall: 6752.9, 0.00302136/step, 2.29304 hours remaining, 208.179688 MB of memory in use. ENERGY: 2267800 765.3050 2059.0334 1930.7174 112.5765 -205845.3915 17573.2356 0.0000 0.0000 34278.2709 -149126.2525 299.3607 -183404.5234 -149035.9084 299.1154 -21.8527 13.7406 556793.0170 2.6492 2.5976 PRESSURE: 2268000 165.857 111.526 25.6802 111.527 -344.953 -101.38 25.6805 -101.379 311.249 GPRESSURE: 2268000 171.248 73.1557 -38.1558 170.587 -278.018 -103.661 163.42 -113.287 321.188 PRESSAVG: 2268000 51.8687 -15.1355 4.76002 -15.1354 -35.9663 -36.8769 4.76005 -36.877 -24.73 GPRESSAVG: 2268000 51.247 -14.482 2.76522 -17.3754 -36.4724 -39.0458 8.61096 -35.2551 -23.5099 TIMING: 2268000 CPU: 6753.5, 0.00298988/step Wall: 6753.5, 0.00298988/step, 2.26899 hours remaining, 208.179688 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: 2268000 731.2723 2090.8429 1928.1402 115.4832 -206331.2294 17852.9791 0.0000 0.0000 34180.6123 -149431.8994 298.5078 -183612.5118 -149325.8838 299.2958 44.0509 71.4725 557881.0954 -2.9425 -2.9118 PRESSURE: 2268200 -324 125.977 -6.99607 125.977 -150.796 -1.84273 -6.9963 -1.84305 -55.558 GPRESSURE: 2268200 -321.138 152.15 9.70988 120.21 -129.303 16.129 -32.1621 7.50369 26.568 PRESSAVG: 2268200 46.6972 4.13405 -14.2575 4.13411 -3.27356 26.266 -14.2575 26.2661 2.8839 GPRESSAVG: 2268200 47.2488 3.15807 -10.7961 5.45313 -3.24058 28.0991 -16.381 28.6559 2.6632 TIMING: 2268200 CPU: 6754.09, 0.00296555/step Wall: 6754.09, 0.00296555/step, 2.25036 hours remaining, 208.179688 MB of memory in use. ENERGY: 2268200 755.1395 2068.3797 1937.3496 111.2779 -206565.3335 17821.8157 0.0000 0.0000 34388.3594 -149483.0116 300.3221 -183871.3711 -149392.3919 299.1782 -176.7847 -141.2910 557312.6008 15.4358 15.5571 LDB: ============= START OF LOAD BALANCING ============== 6757.52 LDB: ============== END OF LOAD BALANCING =============== 6757.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6757.52 LDB: ============= START OF LOAD BALANCING ============== 6757.82 LDB: Largest compute 4849 load 0.028145 is 23.8% of average load 0.118043 LDB: Average compute 0.001711 is 1.4% of average load 0.118043 LDB: TIME 6757.82 LOAD: AVG 0.118043 MAX 0.200621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.867 MB LDB: TIME 6757.82 LOAD: AVG 0.118043 MAX 0.200621 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: TIME 6757.82 LOAD: AVG 0.118043 MAX 0.200621 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: ============== END OF LOAD BALANCING =============== 6757.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6757.83 PRESSURE: 2268400 107.391 49.2743 91.5753 49.2749 -161.138 24.5954 91.575 24.5943 155.386 GPRESSURE: 2268400 164.149 40.2591 62.222 28.1856 -95.0752 91.4291 48.4834 -50.795 120.16 PRESSAVG: 2268400 43.8407 21.5404 1.0153 21.5404 -64.8645 6.44468 1.01528 6.44454 14.1188 GPRESSAVG: 2268400 43.7681 20.1343 -0.143827 21.5893 -63.9416 7.22195 0.57967 1.55739 13.3961 TIMING: 2268400 CPU: 6754.7, 0.00301831/step Wall: 6754.7, 0.00301831/step, 2.29022 hours remaining, 206.000000 MB of memory in use. ENERGY: 2268400 737.6951 2098.4819 1914.1835 101.8139 -206524.5404 17904.9184 0.0000 0.0000 34227.3588 -149540.0888 298.9160 -183767.4476 -149450.6655 298.3339 33.8794 63.0780 557092.3408 -2.3017 -2.2591 PRESSURE: 2268600 190.899 49.4345 -53.4428 49.4342 -60.3766 -105.814 -53.4437 -105.816 64.0622 GPRESSURE: 2268600 228.654 30.3816 -56.4095 46.2319 -5.94696 -62.6359 -49.0971 -167.49 70.4708 PRESSAVG: 2268600 68.841 20.7229 -90.7726 20.723 -74.5325 -123.33 -90.7727 -123.33 30.3896 GPRESSAVG: 2268600 69.5758 23.1183 -91.3899 19.62 -75.5329 -123.592 -88.8001 -120.244 30.9689 TIMING: 2268600 CPU: 6755.29, 0.00297435/step Wall: 6755.29, 0.00297435/step, 2.25671 hours remaining, 206.000000 MB of memory in use. ENERGY: 2268600 724.0284 2072.3137 1945.9141 114.2334 -206598.2400 18086.3857 0.0000 0.0000 34074.4081 -149580.9566 297.5803 -183655.3647 -149486.8831 297.6539 64.8615 97.7261 557365.3248 8.2327 8.3373 PRESSURE: 2268800 249.384 -146.011 -83.0923 -146.011 -47.4979 118.04 -83.0935 118.039 130.84 GPRESSURE: 2268800 269.667 -99.9925 -96.0885 -151.951 -18.8866 123.725 -97.1159 29.6287 172.698 PRESSAVG: 2268800 56.9346 -19.0356 -17.5414 -19.0356 -52.1106 -25.5817 -17.5415 -25.5816 29.6989 GPRESSAVG: 2268800 57.5789 -20.0748 -16.7405 -17.8162 -51.7223 -25.3796 -21.0995 -26.5388 28.5502 TIMING: 2268800 CPU: 6755.89, 0.00300575/step Wall: 6755.89, 0.00300575/step, 2.28036 hours remaining, 206.000000 MB of memory in use. ENERGY: 2268800 763.3159 2092.1065 1937.2491 102.1485 -206856.8570 18234.3779 0.0000 0.0000 34189.3686 -149538.2905 298.5843 -183727.6591 -149445.4504 298.3057 110.9087 141.1594 556750.6240 11.5076 11.4689 PRESSURE: 2269000 35.1774 61.8043 75.0988 61.8052 202.013 110.982 75.0988 110.981 60.6579 GPRESSURE: 2269000 30.6584 75.4841 167.827 28.5522 291.84 59.9836 8.33711 134.612 80.2548 PRESSAVG: 2269000 25.0056 -15.0739 -31.9676 -15.074 27.1698 -34.4406 -31.9675 -34.4407 -69.1484 GPRESSAVG: 2269000 23.2928 -15.9429 -31.5916 -14.8492 26.1552 -34.1306 -29.4907 -34.7764 -66.3114 TIMING: 2269000 CPU: 6756.49, 0.00299748/step Wall: 6756.49, 0.00299748/step, 2.27393 hours remaining, 206.000000 MB of memory in use. ENERGY: 2269000 719.2601 2136.7307 1918.8457 107.9770 -206812.1759 18055.1569 0.0000 0.0000 34101.8889 -149772.3167 297.8203 -183874.2056 -149674.2251 298.1314 99.2829 134.2511 556343.0237 -5.6576 -5.6211 PRESSURE: 2269200 129.975 -20.6891 -168.056 -20.6891 -97.4622 162.098 -168.057 162.096 84.7688 GPRESSURE: 2269200 187.757 -2.88973 -85.1086 -39.3699 -96.177 177.177 -248.876 121.834 115.943 PRESSAVG: 2269200 2.16895 -36.2272 -19.2014 -36.2272 -7.16451 7.51801 -19.2013 7.51796 39.935 GPRESSAVG: 2269200 1.68754 -33.0136 -19.7624 -38.0482 -7.31327 6.67784 -19.7354 7.11905 40.0295 TIMING: 2269200 CPU: 6757.09, 0.00299401/step Wall: 6757.09, 0.00299401/step, 2.27112 hours remaining, 206.000000 MB of memory in use. ENERGY: 2269200 719.5812 2106.4776 1934.2503 116.0456 -206304.2924 17827.3401 0.0000 0.0000 34188.9560 -149411.6416 298.5807 -183600.5976 -149310.2825 297.8713 39.0939 69.1743 557731.5027 11.6465 11.4679 PRESSURE: 2269400 -102.018 61.1884 -11.9981 61.188 -251.114 -110.186 -11.9989 -110.186 -117.293 GPRESSURE: 2269400 -50.0075 -10.5244 34.0818 90.9839 -232.108 -123.289 -42.1517 -115.341 -92.0184 PRESSAVG: 2269400 34.199 16.8282 -89.2451 16.8283 -97.0322 7.79309 -89.2451 7.79296 3.00124 GPRESSAVG: 2269400 36.7232 14.5389 -88.6845 18.9385 -97.4093 9.69601 -89.1792 8.75725 1.04717 TIMING: 2269400 CPU: 6757.69, 0.00300349/step Wall: 6757.69, 0.00300349/step, 2.27815 hours remaining, 206.000000 MB of memory in use. ENERGY: 2269400 738.5679 2096.1171 1925.9594 105.2566 -206107.9062 17680.4717 0.0000 0.0000 33956.2583 -149605.2752 296.5484 -183561.5335 -149503.2065 298.3676 -156.8085 -124.7113 558834.8477 -19.9440 -19.8797 PRESSURE: 2269600 -49.0641 -108.903 -79.5727 -108.903 259.793 -156.044 -79.5711 -156.042 -138.522 GPRESSURE: 2269600 -92.4055 -92.6045 -37.1121 -15.7535 336.122 -287.973 -74.9018 -120.939 -80.0373 PRESSAVG: 2269600 -8.30671 10.3226 21.8566 10.3227 50.79 21.8724 21.8567 21.8723 8.93428 GPRESSAVG: 2269600 -8.90854 6.72381 20.6335 12.4069 50.9971 20.4371 23.7005 20.8641 9.79001 TIMING: 2269600 CPU: 6758.29, 0.0030039/step Wall: 6758.29, 0.0030039/step, 2.27829 hours remaining, 206.000000 MB of memory in use. ENERGY: 2269600 766.6096 2123.2494 1912.9062 111.3197 -206335.8028 17893.2724 0.0000 0.0000 34011.2030 -149517.2425 297.0283 -183528.4455 -149424.8545 298.6764 24.0688 54.5596 557798.7127 17.1392 17.2928 PRESSURE: 2269800 -152.721 -57.3624 -236.418 -57.3611 -14.8785 55.1739 -236.419 55.1762 -70.7655 GPRESSURE: 2269800 -156.205 -9.99197 -247.508 -49.0479 50.42 90.108 -224.87 10.9265 -33.0362 PRESSAVG: 2269800 10.0654 19.8245 -8.17873 19.8245 46.7324 45.0392 -8.17879 45.0392 -20.9551 GPRESSAVG: 2269800 9.16172 21.9747 -8.10709 17.3917 46.4709 43.3598 -7.52321 47.1769 -20.5081 TIMING: 2269800 CPU: 6758.9, 0.00303558/step Wall: 6758.9, 0.00303558/step, 2.30215 hours remaining, 206.000000 MB of memory in use. ENERGY: 2269800 764.2435 2094.4528 1936.1823 102.4357 -206226.7698 17835.0581 0.0000 0.0000 34124.0045 -149370.3928 298.0134 -183494.3974 -149276.5601 298.3364 -79.4550 -46.2738 558218.7915 11.9476 11.7082 PRESSURE: 2270000 -387.694 21.7183 1.20083 21.7191 -87.1452 -99.911 1.19998 -99.9076 83.9595 GPRESSURE: 2270000 -290.288 140.741 -67.2692 -31.5452 -56.3617 -22.6347 7.35994 -144.83 47.1397 PRESSAVG: 2270000 -75.2811 13.6556 -35.9641 13.6557 -18.617 40.4341 -35.964 40.434 77.7562 GPRESSAVG: 2270000 -75.2696 15.8891 -34.3427 13.3997 -17.5578 42.9177 -38.1187 38.3811 76.7403 TIMING: 2270000 CPU: 6759.51, 0.00303231/step Wall: 6759.51, 0.00303231/step, 2.2995 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: 2270000 760.1818 2096.6465 1927.8994 104.1044 -206175.0252 17717.5459 0.0000 0.0000 34262.5617 -149306.0854 299.2235 -183568.6471 -149209.0340 298.4304 -130.2934 -99.8368 557623.1108 -5.3806 -5.3624 PRESSURE: 2270200 -127.044 -75.5443 2.96927 -75.545 -92.587 -144.12 2.96923 -144.121 -283.756 GPRESSURE: 2270200 -44.3682 -86.9187 1.58022 -40.3036 -38.1719 -45.2806 15.5643 -142.845 -313.294 PRESSAVG: 2270200 -43.7233 -15.7434 -23.1317 -15.7433 -2.79488 68.0413 -23.1317 68.0412 38.2345 GPRESSAVG: 2270200 -43.6215 -17.354 -24.5272 -15.0116 -2.64847 66.9427 -21.3322 69.154 37.9122 TIMING: 2270200 CPU: 6760.11, 0.00302637/step Wall: 6760.11, 0.00302637/step, 2.29483 hours remaining, 206.000000 MB of memory in use. ENERGY: 2270200 753.4406 2056.5106 1935.1819 117.6965 -205994.2737 17726.9047 0.0000 0.0000 34186.5762 -149217.9631 298.5599 -183404.5394 -149118.5651 298.6225 -167.7956 -131.9447 558328.2006 -2.7612 -2.7859 PRESSURE: 2270400 -13.8555 -18.039 86.5542 -18.0381 -34.8319 50.9234 86.5551 50.923 138.318 GPRESSURE: 2270400 -9.1399 -74.5111 85.7366 15.6622 19.4004 53.2774 15.9075 111.1 161.175 PRESSAVG: 2270400 -9.93943 -18.8246 -23.3328 -18.8246 19.9863 24.6172 -23.3327 24.6171 44.2301 GPRESSAVG: 2270400 -10.462 -17.0872 -22.837 -20.8747 20.4895 26.1397 -25.6819 23.9088 44.0265 TIMING: 2270400 CPU: 6760.72, 0.00301742/step Wall: 6760.72, 0.00301742/step, 2.28787 hours remaining, 206.000000 MB of memory in use. ENERGY: 2270400 790.7819 2054.8553 1907.9013 107.3195 -206151.2471 17920.3586 0.0000 0.0000 34176.4397 -149193.5909 298.4713 -183370.0305 -149093.3716 299.3679 29.8768 57.1453 559112.9979 18.0923 18.0180 PRESSURE: 2270600 22.5982 113.626 -24.3932 113.627 34.9212 186.058 -24.3942 186.058 -157.399 GPRESSURE: 2270600 40.668 146.682 83.7378 61.5251 19.2186 94.7154 -129.603 196.299 -55.2626 PRESSAVG: 2270600 13.7489 28.286 -13.5734 28.286 7.73272 81.8645 -13.5735 81.8645 1.80415 GPRESSAVG: 2270600 13.6232 27.8758 -13.2187 29.5075 6.73894 80.1862 -12.1493 81.2273 2.68608 TIMING: 2270600 CPU: 6761.32, 0.00299952/step Wall: 6761.32, 0.00299952/step, 2.27414 hours remaining, 206.000000 MB of memory in use. ENERGY: 2270600 733.8886 2141.1064 1944.6109 124.7516 -205902.9213 17618.2875 0.0000 0.0000 34083.3569 -149256.9194 297.6584 -183340.2763 -149159.7538 298.9697 -33.2932 1.5414 558501.3879 7.7619 7.6827 PRESSURE: 2270800 124.391 20.7311 -68.1546 20.731 108.309 -194.666 -68.1542 -194.666 -12.291 GPRESSURE: 2270800 183.603 -31.6859 -35.3177 46.875 81.6102 -233.029 -91.7841 -175.472 54.5717 PRESSAVG: 2270800 -46.7548 -13.4329 -43.024 -13.4329 59.6128 37.9681 -43.024 37.9681 -42.3253 GPRESSAVG: 2270800 -46.6597 -14.7664 -42.7919 -13.4555 59.6216 36.6505 -45.1048 41.0274 -42.4047 TIMING: 2270800 CPU: 6761.92, 0.00300689/step Wall: 6761.92, 0.00300689/step, 2.27956 hours remaining, 206.000000 MB of memory in use. ENERGY: 2270800 738.3537 2086.5946 1972.9493 102.8646 -206422.3015 17951.5358 0.0000 0.0000 34363.1995 -149206.8039 300.1024 -183570.0034 -149116.6839 298.8519 73.4695 106.5949 558884.9509 -9.8224 -9.8143 PRESSURE: 2271000 -317.885 2.45703 144.719 2.45721 -80.8001 65.4254 144.719 65.4259 -221.407 GPRESSURE: 2271000 -225.94 28.1948 123.716 22.9038 -87.3755 10.8296 118.408 107.984 -207.017 PRESSAVG: 2271000 14.6942 12.689 -24.7813 12.6889 3.89664 -7.39449 -24.7814 -7.39436 -22.8054 GPRESSAVG: 2271000 15.3273 12.054 -27.7691 13.2268 4.24782 -5.0535 -24.8382 -11.1517 -23.0863 TIMING: 2271000 CPU: 6762.51, 0.00298009/step Wall: 6762.51, 0.00298009/step, 2.25907 hours remaining, 206.121094 MB of memory in use. ENERGY: 2271000 746.9936 2084.8929 1914.9593 125.7609 -205814.5882 17554.2190 0.0000 0.0000 34296.8485 -149090.9140 299.5229 -183387.7625 -148998.5235 299.6325 -206.6972 -173.4442 558669.4138 -1.4048 -1.1704 PRESSURE: 2271200 -183.84 73.629 -111.297 73.6291 -129.381 61.0897 -111.296 61.0896 -270.251 GPRESSURE: 2271200 -158.183 95.8485 -229.298 96.6455 -105.292 -28.0664 -88.3294 22.5507 -231.837 PRESSAVG: 2271200 -9.97751 -7.56289 -20.7681 -7.563 -34.3795 59.7774 -20.7681 59.7776 94.3054 GPRESSAVG: 2271200 -9.14675 -6.15581 -19.616 -9.44424 -34.5417 59.1939 -20.9557 61.2227 93.8915 TIMING: 2271200 CPU: 6763.11, 0.00300249/step Wall: 6763.11, 0.00300249/step, 2.27589 hours remaining, 206.121094 MB of memory in use. ENERGY: 2271200 725.1077 2099.8749 1937.2683 107.0309 -205869.4973 17556.3101 0.0000 0.0000 34302.9893 -149140.9161 299.5765 -183443.9054 -149038.7479 299.8046 -194.4905 -165.1041 557584.6610 16.6495 16.7344 PRESSURE: 2271400 -291.203 49.0615 -15.5529 49.0612 -370.397 146.329 -15.5534 146.327 -215.749 GPRESSURE: 2271400 -271.831 45.4032 -51.4297 114.982 -317.791 192.541 10.6519 3.30957 -185.72 PRESSAVG: 2271400 -36.9653 19.9436 -23.9363 19.9436 -18.9475 -2.27791 -23.9362 -2.27777 57.8669 GPRESSAVG: 2271400 -36.425 19.7509 -25.0624 21.871 -19.5591 -2.32981 -21.2547 -2.51692 58.4076 TIMING: 2271400 CPU: 6763.71, 0.00299253/step Wall: 6763.71, 0.00299253/step, 2.26817 hours remaining, 206.121094 MB of memory in use. ENERGY: 2271400 762.2801 2056.5481 1939.6564 94.6182 -205555.5561 17275.1641 0.0000 0.0000 34326.0741 -149101.2150 299.7781 -183427.2891 -149000.7340 299.5525 -292.4497 -258.4472 557263.8881 0.6514 0.8078 PRESSURE: 2271600 1.62971 186.682 48.9859 186.684 -86.591 36.2154 48.9855 36.2175 103.739 GPRESSURE: 2271600 80.9918 154.131 13.3884 224.719 -40.4017 -18.5281 8.13858 126.814 77.7485 PRESSAVG: 2271600 -0.23991 15.8999 64.9194 15.8999 59.5617 50.2253 64.9194 50.2251 10.0091 GPRESSAVG: 2271600 -0.509285 14.7706 66.0478 15.1726 59.0104 50.6806 62.7132 48.4499 11.2606 TIMING: 2271600 CPU: 6764.32, 0.00302314/step Wall: 6764.32, 0.00302314/step, 2.2912 hours remaining, 206.121094 MB of memory in use. ENERGY: 2271600 733.7899 2139.1621 1945.3468 123.2907 -206093.3847 17680.2216 0.0000 0.0000 34307.8591 -149163.7146 299.6191 -183471.5736 -149072.1850 300.1628 6.2591 39.4462 554143.9501 23.1103 23.2539 PRESSURE: 2271800 -99.3581 -145.924 91.7906 -145.924 66.5056 -66.7458 91.7904 -66.7459 -111.18 GPRESSURE: 2271800 -60.327 -195.296 103.777 -28.6272 123.898 -141.223 13.7152 43.7159 -105.01 PRESSAVG: 2271800 -45.5359 6.84477 8.90437 6.84478 41.5554 -24.7496 8.90436 -24.7498 -15.3518 GPRESSAVG: 2271800 -45.2001 7.90965 9.29677 7.00766 43.1889 -26.5613 7.7175 -21.033 -17.2466 TIMING: 2271800 CPU: 6764.91, 0.00298827/step Wall: 6764.91, 0.00298827/step, 2.26461 hours remaining, 206.121094 MB of memory in use. ENERGY: 2271800 726.0506 2025.6617 1934.9849 103.9365 -206008.8432 17726.5898 0.0000 0.0000 34248.8098 -149242.8100 299.1034 -183491.6198 -149148.9255 299.5845 -48.0108 -13.8129 557400.7015 -6.4441 -6.4193 PRESSURE: 2272000 -332.222 209.279 129.269 209.279 -201.21 -28.0279 129.269 -28.0273 -125.757 GPRESSURE: 2272000 -246.868 112.494 159.406 174.286 -239.749 35.9887 20.942 -112.357 -85.1119 PRESSAVG: 2272000 31.6485 18.9671 32.2104 18.9671 -27.7102 57.7886 32.2103 57.7887 13.0221 GPRESSAVG: 2272000 31.8728 18.2541 33.0032 17.5708 -28.52 58.4928 32.2069 57.716 13.4464 TIMING: 2272000 CPU: 6765.52, 0.00300724/step Wall: 6765.52, 0.00300724/step, 2.27882 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: 2272000 767.7283 2081.8850 1941.8654 123.8716 -206151.1264 17524.3727 0.0000 0.0000 34447.3498 -149264.0536 300.8373 -183711.4034 -149163.0272 299.3224 -219.7298 -190.5763 557911.0456 5.6534 5.5997 PRESSURE: 2272200 -131.404 29.0149 85.3881 29.0145 14.8893 23.0219 85.3878 23.0223 52.4741 GPRESSURE: 2272200 -23.4067 -23.7504 43.2867 42.9674 42.1512 66.0558 135.976 -28.7806 10.3611 PRESSAVG: 2272200 -32.0403 -29.1777 -9.01001 -29.1777 -15.6811 88.8514 -9.01 88.8514 62.5275 GPRESSAVG: 2272200 -31.5172 -28.9292 -9.62038 -28.1555 -16.4168 90.6699 -9.19845 87.3081 61.8184 TIMING: 2272200 CPU: 6766.11, 0.00296373/step Wall: 6766.11, 0.00296373/step, 2.24568 hours remaining, 206.121094 MB of memory in use. ENERGY: 2272200 730.5659 2154.8913 1944.2391 125.8995 -206085.1015 17658.0263 0.0000 0.0000 34166.9708 -149304.5085 298.3887 -183471.4794 -149204.1569 299.8790 -21.3469 9.7019 555736.6311 4.9353 4.6281 LDB: ============= START OF LOAD BALANCING ============== 6769.53 LDB: ============== END OF LOAD BALANCING =============== 6769.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6769.54 LDB: ============= START OF LOAD BALANCING ============== 6769.84 LDB: Largest compute 4849 load 0.026552 is 22.5% of average load 0.118017 LDB: Average compute 0.001716 is 1.5% of average load 0.118017 LDB: TIME 6769.84 LOAD: AVG 0.118017 MAX 0.202198 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.219 MB LDB: TIME 6769.84 LOAD: AVG 0.118017 MAX 0.202198 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.219 MB LDB: TIME 6769.84 LOAD: AVG 0.118017 MAX 0.202198 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.219 MB LDB: ============== END OF LOAD BALANCING =============== 6769.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6769.84 PRESSURE: 2272400 71.197 -108.013 -4.08529 -108.014 273.807 -46.2606 -4.08452 -46.2599 221.153 GPRESSURE: 2272400 99.2851 -156.546 -17.1652 -28.2163 295.654 -27.6795 -33.5655 -38.5139 253.691 PRESSAVG: 2272400 -53.2273 10.4728 -7.59004 10.4727 13.7947 15.1827 -7.59001 15.1826 43.4935 GPRESSAVG: 2272400 -54.6909 8.70272 -7.32214 11.486 14.9035 13.5126 -6.95034 13.8109 43.951 TIMING: 2272400 CPU: 6766.71, 0.00302993/step Wall: 6766.71, 0.00302993/step, 2.29568 hours remaining, 205.742188 MB of memory in use. ENERGY: 2272400 754.0879 2081.2603 1942.3967 106.6239 -206610.8797 18132.2504 0.0000 0.0000 34176.1328 -149418.1278 298.4687 -183594.2606 -149327.3149 298.9789 188.7190 216.2101 556137.5263 1.3536 1.3878 PRESSURE: 2272600 -299.542 -116.406 -85.2088 -116.408 -217.802 72.372 -85.2101 72.3729 -177.592 GPRESSURE: 2272600 -221.313 -117.452 -150.759 -79.2412 -289.708 107.361 -87.7407 95.749 -97.6744 PRESSAVG: 2272600 -44.5927 13.2228 10.6159 13.2227 21.5377 13.6091 10.6159 13.6092 -10.978 GPRESSAVG: 2272600 -44.3421 14.6237 9.79993 13.389 21.7672 15.2356 12.0766 15.0719 -11.8117 TIMING: 2272600 CPU: 6767.31, 0.00299195/step Wall: 6767.31, 0.00299195/step, 2.26673 hours remaining, 205.742188 MB of memory in use. ENERGY: 2272600 769.2801 2107.6881 1960.4350 122.5534 -205988.3406 17525.9641 0.0000 0.0000 34432.7662 -149069.6537 300.7099 -183502.4199 -148983.7643 299.2070 -231.6453 -202.8985 557057.7585 -11.3443 -11.4622 PRESSURE: 2272800 -331.475 -53.4445 -82.8139 -53.4445 36.1584 123.346 -82.8132 123.348 -112.083 GPRESSURE: 2272800 -237.237 -36.4927 -82.2157 29.0675 34.8328 164.352 -84.8162 12.5793 -118.752 PRESSAVG: 2272800 -96.478 47.8451 3.3496 47.8451 44.1604 -2.14592 3.34961 -2.14601 60.8977 GPRESSAVG: 2272800 -97.3351 47.8809 1.46159 48.3369 44.1454 -2.30116 4.32049 -4.27083 61.5348 TIMING: 2272800 CPU: 6767.91, 0.00299935/step Wall: 6767.91, 0.00299935/step, 2.27217 hours remaining, 205.742188 MB of memory in use. ENERGY: 2272800 775.0003 2087.8644 1956.9812 113.5283 -206053.6394 17614.1465 0.0000 0.0000 34533.6407 -148972.4780 301.5909 -183506.1187 -148866.1604 299.4194 -135.7998 -107.0521 557146.9850 2.8600 2.7817 PRESSURE: 2273000 102.838 33.4703 17.1754 33.4711 2.85717 79.9382 17.1751 79.9388 245.538 GPRESSURE: 2273000 103.841 38.7463 79.496 30.0111 28.4744 10.2188 -11.2923 73.4353 308.964 PRESSAVG: 2273000 -34.5421 29.7733 29.0911 29.7732 14.267 13.7299 29.0911 13.7298 51.2458 GPRESSAVG: 2273000 -34.9121 31.361 28.8337 27.2841 14.4764 12.6769 29.51 15.1705 51.2366 TIMING: 2273000 CPU: 6768.51, 0.00299497/step Wall: 6768.51, 0.00299497/step, 2.26869 hours remaining, 205.742188 MB of memory in use. ENERGY: 2273000 762.5341 2125.7571 1958.1573 135.1562 -206086.4016 17858.9964 0.0000 0.0000 34365.8274 -148879.9731 300.1253 -183245.8005 -148785.5184 300.8303 117.0778 147.0930 556793.9027 10.3236 10.2670 PRESSURE: 2273200 -79.1416 2.52709 -131.318 2.52633 -201.092 -219.345 -131.318 -219.345 161.604 GPRESSURE: 2273200 -56.6115 -14.7152 -101.143 50.3706 -186.565 -176.602 -139.143 -192.409 230.733 PRESSAVG: 2273200 -8.822 6.76345 24.9906 6.76341 -90.8943 19.212 24.9906 19.212 51.3844 GPRESSAVG: 2273200 -8.23359 7.14647 24.9927 8.98229 -91.5435 18.5422 23.8132 19.6272 52.1046 TIMING: 2273200 CPU: 6769.11, 0.00300089/step Wall: 6769.11, 0.00300089/step, 2.273 hours remaining, 205.742188 MB of memory in use. ENERGY: 2273200 775.1911 2123.7895 1946.2307 123.4985 -206285.1034 17911.1672 0.0000 0.0000 34267.1197 -149138.1066 299.2633 -183405.2263 -149040.9322 299.2919 -39.5432 -4.1476 555435.9515 -16.1107 -15.8908 PRESSURE: 2273400 46.8038 167.312 85.1766 167.313 217.2 -61.0125 85.177 -61.0119 -50.105 GPRESSURE: 2273400 35.2869 181.97 84.6981 123.469 259.281 -101.798 86.2058 -34.5021 13.5613 PRESSAVG: 2273400 -48.295 -22.9964 3.30657 -22.9964 -22.3414 -7.41448 3.30653 -7.41448 70.7372 GPRESSAVG: 2273400 -47.9524 -23.6808 4.32768 -23.4761 -22.6219 -6.708 4.78759 -5.38441 70.6007 TIMING: 2273400 CPU: 6769.71, 0.0029896/step Wall: 6769.71, 0.0029896/step, 2.26429 hours remaining, 205.742188 MB of memory in use. ENERGY: 2273400 733.4520 2133.9956 1970.4320 117.3804 -206056.6494 17727.3706 0.0000 0.0000 34176.4574 -149197.5613 298.4715 -183374.0187 -149095.4396 299.7055 71.2995 102.7099 556046.1886 0.0336 0.0088 PRESSURE: 2273600 -26.2755 253.384 -26.416 253.382 98.2482 9.70254 -26.4144 9.70331 -49.519 GPRESSURE: 2273600 38.7159 228.72 -48.5257 191.53 162.839 68.117 -44.9369 -8.83823 -71.8216 PRESSAVG: 2273600 -7.8661 3.3539 56.9022 3.35388 16.7532 9.02621 56.9022 9.02614 15.5763 GPRESSAVG: 2273600 -8.26711 1.96875 57.9078 3.16755 18.0143 9.01953 55.4128 7.15437 14.6373 TIMING: 2273600 CPU: 6770.31, 0.00298332/step Wall: 6770.31, 0.00298332/step, 2.25937 hours remaining, 205.742188 MB of memory in use. ENERGY: 2273600 747.9923 2103.8208 1941.8075 114.0059 -206130.6455 17672.3526 0.0000 0.0000 34410.6166 -149140.0498 300.5165 -183550.6664 -149040.7142 299.8220 7.4846 43.2444 556807.9538 8.1545 8.1282 PRESSURE: 2273800 137.086 -84.1674 -130.668 -84.1682 -95.7875 -121.345 -130.668 -121.345 26.9527 GPRESSURE: 2273800 145.194 -99.1931 -50.3506 -91.4309 3.33099 -205.802 -165.178 -76.9253 13.6555 PRESSAVG: 2273800 18.4612 28.4025 -10.9908 28.4026 -38.8438 20.949 -10.9908 20.9489 -15.6402 GPRESSAVG: 2273800 18.9552 30.4901 -11.581 26.9794 -39.9299 20.7887 -10.863 19.7065 -15.4516 TIMING: 2273800 CPU: 6770.9, 0.00297275/step Wall: 6770.9, 0.00297275/step, 2.2512 hours remaining, 205.742188 MB of memory in use. ENERGY: 2273800 744.7425 2045.3795 1940.3491 128.1234 -206065.0586 17758.2992 0.0000 0.0000 34534.9703 -148913.1947 301.6025 -183448.1650 -148815.0236 300.2894 22.7503 54.0601 557219.7164 -12.0076 -12.1421 PRESSURE: 2274000 -84.8505 116.271 -19.2797 116.271 47.8775 -35.8095 -19.2787 -35.8101 191.928 GPRESSURE: 2274000 -31.2875 148.069 -113.685 120.33 49.1986 6.41029 -36.7646 -8.64009 235.313 PRESSAVG: 2274000 30.8172 10.3412 -51.4994 10.3413 -9.62697 -1.91729 -51.4995 -1.91734 -20.5117 GPRESSAVG: 2274000 31.6483 8.14213 -52.0233 10.3377 -9.49528 0.58196 -52.2678 -3.71056 -21.3322 TIMING: 2274000 CPU: 6771.5, 0.00296763/step Wall: 6771.5, 0.00296763/step, 2.24715 hours remaining, 205.742188 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: 2274000 785.6079 2119.4787 1940.7374 116.9254 -205785.4792 17800.8009 0.0000 0.0000 34128.8572 -148893.0717 298.0558 -183021.9289 -148789.7244 299.8326 51.6516 84.4079 558368.5567 0.2262 0.2736 PRESSURE: 2274200 -108.132 -98.0497 -187.654 -98.0499 -72.8039 28.1968 -187.655 28.1957 -322.273 GPRESSURE: 2274200 -12.7294 -192.494 -218.293 -78.6744 -122.844 23.5198 -222.045 -45.6367 -277.085 PRESSAVG: 2274200 -61.9968 33.3735 -42.7616 33.3735 21.5061 10.082 -42.7616 10.0821 40.9375 GPRESSAVG: 2274200 -63.2659 36.2537 -41.5303 33.4511 21.7858 7.54496 -41.9935 11.8658 41.8964 TIMING: 2274200 CPU: 6772.09, 0.0029803/step Wall: 6772.09, 0.0029803/step, 2.25658 hours remaining, 205.742188 MB of memory in use. ENERGY: 2274200 754.5700 2124.9569 1942.9273 111.8417 -205355.1768 17364.8655 0.0000 0.0000 34154.6389 -148901.3763 298.2810 -183056.0153 -148804.7007 299.7626 -167.7361 -137.5528 557236.3342 0.1490 0.1388 PRESSURE: 2274400 -214.126 -72.2959 23.4292 -72.2965 22.9226 20.1337 23.4295 20.1312 -152.958 GPRESSURE: 2274400 -130.052 21.1194 15.0717 -87.824 71.2204 104.784 26.327 58.3272 -178.965 PRESSAVG: 2274400 8.8113 -14.0338 -35.054 -14.0338 17.6743 -10.044 -35.0541 -10.044 -10.9819 GPRESSAVG: 2274400 9.18349 -15.6534 -36.3693 -12.4972 17.5793 -9.84886 -34.826 -9.07232 -11.1231 TIMING: 2274400 CPU: 6772.69, 0.00301244/step Wall: 6772.69, 0.00301244/step, 2.28075 hours remaining, 205.742188 MB of memory in use. ENERGY: 2274400 793.1141 2113.3261 1921.9565 111.9036 -205503.8567 17596.2082 0.0000 0.0000 34201.4129 -148765.9352 298.6894 -182967.3481 -148672.6285 300.0897 -114.7205 -79.2652 558689.0848 5.1679 5.2132 PRESSURE: 2274600 -259.802 24.3216 -69.3892 24.3219 51.501 -12.8786 -69.3892 -12.8796 -202.876 GPRESSURE: 2274600 -215.097 -21.846 -55.6342 126.66 118.272 -10.0641 -85.9766 -37.632 -206.668 PRESSAVG: 2274600 -75.847 -21.2755 -40.5243 -21.2755 80.7031 3.08547 -40.5242 3.08558 10.1453 GPRESSAVG: 2274600 -75.4917 -22.9369 -40.0124 -21.0675 81.0235 4.49695 -40.6033 2.25114 9.43913 TIMING: 2274600 CPU: 6773.29, 0.00298367/step Wall: 6773.29, 0.00298367/step, 2.2588 hours remaining, 205.742188 MB of memory in use. ENERGY: 2274600 767.8632 2107.8673 1966.8801 116.4839 -205595.3487 17587.4527 0.0000 0.0000 34111.9123 -148936.8893 297.9078 -183048.8016 -148843.6692 299.4261 -137.0591 -101.1644 558513.4136 5.0005 4.9903 PRESSURE: 2274800 -147.843 -74.9404 20.9906 -74.9398 -346.572 -28.4236 20.9917 -28.4259 -43.3085 GPRESSURE: 2274800 -154.1 -4.35782 -29.7135 -54.3008 -264.366 103.428 78.5244 -3.91595 -27.3627 PRESSAVG: 2274800 -48.4575 -47.0896 -24.3774 -47.0895 27.1976 -57.838 -24.3774 -57.8381 37.8854 GPRESSAVG: 2274800 -50.1205 -45.1663 -23.6214 -47.0649 27.2461 -59.1293 -24.8718 -56.8619 38.741 TIMING: 2274800 CPU: 6773.89, 0.00301901/step Wall: 6773.89, 0.00301901/step, 2.28539 hours remaining, 205.742188 MB of memory in use. ENERGY: 2274800 777.3239 2074.5747 1967.7135 122.5180 -205971.3431 17598.5874 0.0000 0.0000 34383.7969 -149046.8287 300.2823 -183430.6256 -148950.5812 300.2990 -179.2412 -148.6096 558036.1379 5.5418 5.2888 PRESSURE: 2275000 -55.3016 -6.8923 -18.5942 -6.89198 -313.492 -127.867 -18.5948 -127.868 -175.595 GPRESSURE: 2275000 31.7378 104.789 -35.9369 -72.1056 -316.482 -118.86 97.2876 -116.171 -156.146 PRESSAVG: 2275000 44.0285 1.12081 -34.2366 1.12086 -14.427 38.831 -34.2366 38.8309 -54.7305 GPRESSAVG: 2275000 45.9154 1.57093 -32.2545 -0.100169 -14.8912 38.5579 -34.2726 37.6959 -55.7173 TIMING: 2275000 CPU: 6774.5, 0.0030138/step Wall: 6774.5, 0.0030138/step, 2.28128 hours remaining, 205.742188 MB of memory in use. ENERGY: 2275000 744.2089 2102.3698 1971.5247 102.3287 -206125.5230 17760.7261 0.0000 0.0000 34333.9493 -149110.4156 299.8469 -183444.3649 -149007.0583 300.1304 -181.4628 -146.9633 558596.9675 -8.3763 -8.2310 PRESSURE: 2275200 165.463 24.5033 100.015 24.5037 -6.43284 64.8663 100.016 64.8654 16.4869 GPRESSURE: 2275200 181.923 78.9698 54.0964 4.43865 30.2219 -12.6159 165.214 144.94 47.0381 PRESSAVG: 2275200 -4.07283 5.7721 -59.2261 5.77211 10.7011 -10.382 -59.2261 -10.3821 4.89307 GPRESSAVG: 2275200 -4.06145 5.27012 -59.357 6.37584 10.8773 -9.68181 -60.9671 -10.0013 4.67668 TIMING: 2275200 CPU: 6775.1, 0.00300495/step Wall: 6775.1, 0.00300495/step, 2.27441 hours remaining, 205.742188 MB of memory in use. ENERGY: 2275200 750.3317 2095.4421 1949.7500 116.5289 -206057.9152 17865.0610 0.0000 0.0000 34404.9008 -148875.9007 300.4666 -183280.8015 -148773.2304 300.2324 58.5058 86.3943 557183.4195 3.8404 3.8309 PRESSURE: 2275400 336.53 39.1908 33.6816 39.1922 122.672 -108.958 33.6835 -108.958 272.667 GPRESSURE: 2275400 358.241 61.4248 -33.503 -67.0499 135.298 -158.139 103.319 -44.1641 326.431 PRESSAVG: 2275400 11.4917 38.0433 -31.8983 38.0433 -24.4846 -3.61919 -31.8983 -3.61927 49.9762 GPRESSAVG: 2275400 11.1756 35.9692 -33.4043 38.3317 -24.5494 -4.53568 -30.0345 -3.99093 51.3392 TIMING: 2275400 CPU: 6775.69, 0.00298183/step Wall: 6775.69, 0.00298183/step, 2.25675 hours remaining, 205.742188 MB of memory in use. ENERGY: 2275400 755.8922 2104.4567 1944.8219 116.9759 -206350.4648 18068.5881 0.0000 0.0000 34347.6747 -149012.0553 299.9668 -183359.7300 -148921.9222 299.7357 243.9561 273.3232 556317.3055 12.3278 12.6551 PRESSURE: 2275600 173.941 43.3704 -111 43.3708 19.2054 -28.7313 -111.001 -28.7285 163.108 GPRESSURE: 2275600 216.368 -49.6054 -117.187 85.6493 48.2399 -60.5917 -129.391 8.32717 201.165 PRESSAVG: 2275600 -15.9232 -21.4502 10.0761 -21.4503 -27.5104 -23.993 10.0761 -23.993 4.933 GPRESSAVG: 2275600 -15.7475 -20.8354 10.1113 -19.7903 -27.0011 -21.2813 8.65295 -24.1019 4.73552 TIMING: 2275600 CPU: 6776.3, 0.00300911/step Wall: 6776.3, 0.00300911/step, 2.27723 hours remaining, 205.742188 MB of memory in use. ENERGY: 2275600 750.3917 2061.5558 1937.8799 121.6687 -206495.6565 18173.8534 0.0000 0.0000 34326.8541 -149123.4528 299.7850 -183450.3070 -149021.8316 299.1041 118.7514 155.2573 557483.8853 -12.8335 -12.6710 PRESSURE: 2275800 -59.8694 24.5952 184.639 24.594 153.05 42.1038 184.639 42.1015 189.549 GPRESSURE: 2275800 7.99338 100.373 229.737 -42.3538 236.674 -62.1812 218.509 83.9866 128.844 PRESSAVG: 2275800 35.8605 21.772 -4.82653 21.7719 -8.52464 8.16159 -4.82657 8.16158 -24.5549 GPRESSAVG: 2275800 35.7768 22.1302 -3.65322 20.4373 -7.93483 5.88559 -4.72637 9.62225 -25.3517 TIMING: 2275800 CPU: 6776.9, 0.00302114/step Wall: 6776.9, 0.00302114/step, 2.28616 hours remaining, 205.742188 MB of memory in use. ENERGY: 2275800 734.8993 2077.6287 1927.5175 118.0332 -205940.7743 17715.3023 0.0000 0.0000 34041.5058 -149325.8876 297.2929 -183367.3934 -149230.6024 298.6920 94.2432 124.5040 557388.1317 0.9270 0.8301 PRESSURE: 2276000 -44.3839 -56.0714 -86.5867 -56.0713 -92.4053 -70.4166 -86.587 -70.418 -22.45 GPRESSURE: 2276000 -23.838 -66.4049 -58.0821 13.925 -89.9433 56.6686 -158.455 -127.079 37.5047 PRESSAVG: 2276000 10.3977 -33.022 31.7655 -33.022 -10.8604 -2.99484 31.7655 -2.9948 7.497 GPRESSAVG: 2276000 10.3862 -33.0993 31.9546 -32.2975 -12.1598 -3.80863 33.8198 -5.50609 8.35233 TIMING: 2276000 CPU: 6777.5, 0.00301345/step Wall: 6777.5, 0.00301345/step, 2.28018 hours remaining, 205.742188 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: 2276000 717.8741 2110.4087 1947.9927 99.1143 -205831.1588 17641.2706 0.0000 0.0000 34102.8817 -149211.6166 297.8289 -183314.4983 -149112.4655 298.8842 -53.0797 -25.4255 557215.9961 2.3448 2.1929 PRESSURE: 2276200 -239.475 -105.223 -91.1308 -105.223 -130.548 103.556 -91.1309 103.557 -11.1495 GPRESSURE: 2276200 -188.783 -86.9767 -52.1995 -132.29 -70.9949 32.5003 -91.4236 90.8916 -21.7967 PRESSAVG: 2276200 2.13288 -36.9195 -53.3083 -36.9196 8.63266 -10.5303 -53.3083 -10.5304 -8.23785 GPRESSAVG: 2276200 2.26219 -36.5555 -53.4553 -38.5789 9.06452 -7.59792 -55.6809 -11.3648 -8.62927 TIMING: 2276200 CPU: 6778.1, 0.00300159/step Wall: 6778.1, 0.00300159/step, 2.27104 hours remaining, 205.742188 MB of memory in use. ENERGY: 2276200 742.4065 2102.2421 1960.3137 128.0931 -205390.4474 17410.7487 0.0000 0.0000 33906.5640 -149140.0793 296.1145 -183046.6433 -149046.2831 299.5681 -127.0574 -93.8584 558577.5359 0.8426 0.8991 LDB: ============= START OF LOAD BALANCING ============== 6781.54 LDB: ============== END OF LOAD BALANCING =============== 6781.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6781.54 LDB: ============= START OF LOAD BALANCING ============== 6781.84 LDB: Largest compute 4849 load 0.029564 is 25.0% of average load 0.118031 LDB: Average compute 0.001732 is 1.5% of average load 0.118031 LDB: TIME 6781.84 LOAD: AVG 0.118031 MAX 0.20397 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 6781.84 LOAD: AVG 0.118031 MAX 0.20397 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: TIME 6781.84 LOAD: AVG 0.118031 MAX 0.20397 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6781.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6781.85 PRESSURE: 2276400 90.2217 37.9372 70.4392 37.9384 19.3671 54.3589 70.4403 54.3605 9.58288 GPRESSURE: 2276400 147.96 43.4394 106.839 -34.1234 1.12978 -3.84706 78.0967 30.2798 57.6148 PRESSAVG: 2276400 41.8068 -24.3343 -15.0613 -24.3343 -26.292 -24.9174 -15.0614 -24.9175 39.8973 GPRESSAVG: 2276400 41.6381 -25.3215 -15.9194 -24.0322 -25.2286 -25.9197 -12.8833 -23.915 38.9374 TIMING: 2276400 CPU: 6778.72, 0.00308626/step Wall: 6778.72, 0.00308626/step, 2.33493 hours remaining, 206.511719 MB of memory in use. ENERGY: 2276400 711.7078 2157.7717 1954.2106 116.7461 -205889.9330 17588.9507 0.0000 0.0000 34160.2929 -149200.2534 298.3303 -183360.5462 -149102.0697 299.3905 39.7239 68.9016 556439.9336 18.4707 18.4490 PRESSURE: 2276600 46.5013 -111.4 66.7033 -111.401 196.343 122.575 66.703 122.576 128.624 GPRESSURE: 2276600 48.4188 -105.74 -29.7013 -50.8688 237.126 201.566 8.85621 83.133 176.396 PRESSAVG: 2276600 0.365418 -19.4144 -49.3335 -19.4145 6.64927 -34.8511 -49.3336 -34.8511 39.9158 GPRESSAVG: 2276600 0.683738 -19.0193 -50.4216 -19.1763 6.64095 -37.0381 -50.1029 -32.9231 40.143 TIMING: 2276600 CPU: 6779.33, 0.00303822/step Wall: 6779.33, 0.00303822/step, 2.29841 hours remaining, 206.714844 MB of memory in use. ENERGY: 2276600 712.0872 2108.4085 1954.9432 116.8335 -206467.6400 17937.6701 0.0000 0.0000 34479.0010 -149158.6965 301.1137 -183637.6975 -149065.5595 299.5332 123.8227 153.9803 557396.2434 15.6435 15.8225 PRESSURE: 2276800 -132.875 -43.9743 -56.3918 -43.9731 -232.578 -54.752 -56.3924 -54.7518 31.7514 GPRESSURE: 2276800 -83.2435 -107.208 -77.1821 -74.6773 -179.539 -31.0705 -56.5085 0.828949 29.0173 PRESSAVG: 2276800 21.1418 -50.8081 -48.3365 -50.8082 -20.2824 19.548 -48.3366 19.548 -3.13579 GPRESSAVG: 2276800 21.0578 -49.4521 -47.7129 -52.6139 -20.8706 22.8819 -46.3434 18.6558 -2.7916 TIMING: 2276800 CPU: 6779.93, 0.00301/step Wall: 6779.93, 0.00301/step, 2.2769 hours remaining, 206.714844 MB of memory in use. ENERGY: 2276800 786.5419 2100.1584 1935.1777 111.3960 -205989.1539 17767.4779 0.0000 0.0000 34191.9272 -149096.4748 298.6066 -183288.4020 -149000.8572 299.8184 -111.2339 -77.9217 556968.8712 -0.7588 -0.8681 PRESSURE: 2277000 223.345 -148.924 -120.238 -148.924 60.4379 85.1088 -120.237 85.1085 -97.5728 GPRESSURE: 2277000 220.81 -81.5674 -61.6314 -78.8704 114.892 81.8023 -156.483 81.0677 -41.6012 PRESSAVG: 2277000 31.3685 -37.9805 -43.515 -37.9805 -8.18904 -10.1421 -43.515 -10.1421 -23.975 GPRESSAVG: 2277000 31.5633 -37.4483 -43.8754 -38.5306 -8.75272 -11.6524 -45.5625 -9.37612 -23.9721 TIMING: 2277000 CPU: 6780.53, 0.00299458/step Wall: 6780.53, 0.00299458/step, 2.26507 hours remaining, 206.714844 MB of memory in use. ENERGY: 2277000 804.7233 2089.1479 1936.3821 104.8073 -206177.8417 17891.1500 0.0000 0.0000 34306.3969 -149045.2343 299.6063 -183351.6312 -148955.2268 299.6534 62.0702 98.0337 556306.3849 -0.2652 -0.3872 PRESSURE: 2277200 -18.1126 116.649 73.0089 116.649 -115.236 126.656 73.009 126.656 -298.584 GPRESSURE: 2277200 3.00342 115.232 46.9274 144.181 -118.341 78.8732 101.226 101.044 -228.518 PRESSAVG: 2277200 -24.3125 32.6301 -13.6253 32.6301 48.7468 55.7025 -13.6254 55.7025 -37.4648 GPRESSAVG: 2277200 -24.5871 31.2541 -11.5116 34.7044 48.2066 56.7134 -13.7584 54.7907 -36.6169 TIMING: 2277200 CPU: 6781.13, 0.00302759/step Wall: 6781.13, 0.00302759/step, 2.28987 hours remaining, 206.835938 MB of memory in use. ENERGY: 2277200 747.8622 2067.6357 1947.1089 109.5527 -205784.1924 17542.6150 0.0000 0.0000 34270.7925 -149098.6255 299.2954 -183369.4179 -149004.9224 299.3360 -143.9776 -114.6185 557797.2972 -4.3435 -4.3325 PRESSURE: 2277400 87.3821 29.4472 118.266 29.4462 -0.689408 35.1458 118.266 35.1463 38.946 GPRESSURE: 2277400 110.759 -11.8792 114.139 3.06312 56.3818 10.5568 149.27 -2.81333 64.6004 PRESSAVG: 2277400 42.2063 -23.6475 -0.755503 -23.6475 -13.6335 36.5174 -0.755373 36.5174 -0.275845 GPRESSAVG: 2277400 42.5216 -23.6677 -2.08389 -24.4444 -13.1605 37.1676 -0.685576 35.4292 -0.795992 TIMING: 2277400 CPU: 6781.74, 0.00301782/step Wall: 6781.74, 0.00301782/step, 2.28231 hours remaining, 206.835938 MB of memory in use. ENERGY: 2277400 760.4019 2136.3715 1952.9270 116.8877 -206210.3208 17799.0595 0.0000 0.0000 34421.7150 -149022.9583 300.6134 -183444.6733 -148929.8582 300.1494 41.8796 77.2471 556386.5413 9.4323 9.5217 PRESSURE: 2277600 -3.80401 -40.0147 184.395 -40.0144 -1.40091 -50.9483 184.396 -50.9486 59.2566 GPRESSURE: 2277600 46.6416 -99.4094 112.707 11.3516 70.0452 -79.5677 195.109 -60.0524 44.4081 PRESSAVG: 2277600 36.7027 -59.8303 37.0066 -59.8304 -20.3712 4.84664 37.0067 4.84662 -5.49042 GPRESSAVG: 2277600 35.7589 -59.9633 36.1314 -59.0536 -19.4136 3.30609 37.8579 7.45774 -5.77727 TIMING: 2277600 CPU: 6782.34, 0.0030084/step Wall: 6782.34, 0.0030084/step, 2.27502 hours remaining, 206.835938 MB of memory in use. ENERGY: 2277600 748.2175 2108.7148 1936.2682 123.0593 -205965.8948 17781.1570 0.0000 0.0000 34242.1976 -149026.2805 299.0456 -183268.4781 -148932.7786 300.0412 18.0172 53.6983 558010.6995 3.6137 3.5227 PRESSURE: 2277800 -12.8641 -110.194 47.1118 -110.195 -33.9362 325.034 47.1099 325.031 -91.608 GPRESSURE: 2277800 23.579 -45.3316 45.209 -105.513 -39.4789 292.165 122.298 314.524 -27.5931 PRESSAVG: 2277800 8.2679 16.2702 44.3862 16.2701 34.4327 22.0316 44.3862 22.0317 -11.1883 GPRESSAVG: 2277800 7.0058 17.1916 45.7803 13.6973 34.7617 23.2433 42.7463 18.7724 -10.55 TIMING: 2277800 CPU: 6782.94, 0.00300718/step Wall: 6782.94, 0.00300718/step, 2.27393 hours remaining, 206.835938 MB of memory in use. ENERGY: 2277800 781.1200 2132.0853 1921.9859 105.9366 -205782.4813 17698.7683 0.0000 0.0000 34290.2568 -148852.3283 299.4653 -183142.5851 -148764.9051 300.3134 -46.1361 -14.4977 558525.8506 10.5041 10.4058 PRESSURE: 2278000 -330.57 -149.77 -30.5885 -149.77 -51.842 -172.944 -30.5883 -172.943 14.3609 GPRESSURE: 2278000 -350.615 -103.315 -54.4014 -141.628 29.4352 -151.194 -52.2237 -217.915 41.6574 PRESSAVG: 2278000 47.2177 -8.29202 -26.0039 -8.292 -70.6574 11.7379 -26.004 11.7379 22.3978 GPRESSAVG: 2278000 48.5741 -8.44396 -28.4949 -6.66299 -70.815 12.9482 -24.265 12.3471 21.0639 TIMING: 2278000 CPU: 6783.54, 0.00301644/step Wall: 6783.54, 0.00301644/step, 2.28077 hours remaining, 206.835938 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: 2278000 755.7958 2101.9192 1907.6022 111.8172 -205835.5209 17671.8693 0.0000 0.0000 34222.5367 -149063.9803 298.8739 -183286.5170 -148967.6664 299.6143 -122.6836 -93.1742 558355.6050 -0.3473 -0.3923 PRESSURE: 2278200 -127.124 63.0717 -65.9929 63.0716 -252.324 70.2365 -65.9921 70.2371 64.9466 GPRESSURE: 2278200 -114.038 29.1471 -2.9195 23.6835 -175.507 26.4383 -102.743 131.836 67.205 PRESSAVG: 2278200 -39.211 57.4942 -25.1616 57.4942 13.2874 31.7052 -25.1616 31.7053 29.4129 GPRESSAVG: 2278200 -40.5847 55.6663 -22.6404 57.5422 13.5231 31.109 -26.1604 32.1835 30.9247 TIMING: 2278200 CPU: 6784.14, 0.00297297/step Wall: 6784.14, 0.00297297/step, 2.24773 hours remaining, 206.835938 MB of memory in use. ENERGY: 2278200 755.3655 2093.5485 1916.2752 106.7982 -206037.4062 17631.3973 0.0000 0.0000 34570.6423 -148963.3792 301.9140 -183534.0215 -148871.9208 299.4442 -104.8338 -74.1133 558800.4860 1.1631 1.2877 PRESSURE: 2278400 -225.945 -82.4404 -134.562 -82.4407 -71.3223 -132.969 -134.563 -132.968 -56.9559 GPRESSURE: 2278400 -197.209 -38.0272 -149.153 -116.83 -17.2239 -221.456 -120.186 -45.9539 -44.2765 PRESSAVG: 2278400 16.3544 25.9392 15.947 25.9391 6.83881 -16.6221 15.947 -16.6221 -0.0063209 GPRESSAVG: 2278400 16.7392 27.2268 16.3465 25.8569 6.59832 -16.7273 14.2377 -17.7073 -0.773117 TIMING: 2278400 CPU: 6784.74, 0.00299383/step Wall: 6784.74, 0.00299383/step, 2.26334 hours remaining, 206.835938 MB of memory in use. ENERGY: 2278400 743.1191 2052.9494 1964.5442 112.4365 -205699.7516 17540.0433 0.0000 0.0000 34358.9268 -148927.7323 300.0651 -183286.6592 -148829.0899 299.9375 -118.0743 -86.2366 558759.4691 7.7290 7.5215 PRESSURE: 2278600 23.553 -5.92104 -195.042 -5.92105 56.8891 -72.4753 -195.042 -72.4755 -108.214 GPRESSURE: 2278600 3.93701 -82.6912 -176.232 35.4486 113.125 -53.6245 -152.146 -148.475 -57.0801 PRESSAVG: 2278600 -10.8605 20.0842 -40.799 20.0841 33.1705 23.5485 -40.799 23.5485 -30.5752 GPRESSAVG: 2278600 -11.3356 20.9107 -43.4567 21.4951 32.5385 23.988 -37.8871 24.16 -29.661 TIMING: 2278600 CPU: 6785.33, 0.00296884/step Wall: 6785.33, 0.00296884/step, 2.24428 hours remaining, 206.835938 MB of memory in use. ENERGY: 2278600 748.2224 2030.1477 1949.0106 120.8703 -205835.1226 17810.3459 0.0000 0.0000 34091.2583 -149085.2674 297.7274 -183176.5257 -148990.6824 299.2437 -9.2571 19.9940 557675.5643 -2.7551 -2.8194 PRESSURE: 2278800 -128.964 -170.23 -170.375 -170.23 -25.4915 -26.5336 -170.375 -26.5323 100.204 GPRESSURE: 2278800 -130.228 -169.809 -129.213 -152.506 26.7486 16.5511 -86.3659 -113.422 142.271 PRESSAVG: 2278800 -97.8247 -38.0125 -0.345893 -38.0125 17.5597 8.74732 -0.345987 8.74728 5.8949 GPRESSAVG: 2278800 -97.4838 -39.6503 0.898617 -39.1592 18.0442 8.79967 -1.56901 8.88169 4.68209 TIMING: 2278800 CPU: 6785.93, 0.00298597/step Wall: 6785.93, 0.00298597/step, 2.25706 hours remaining, 206.835938 MB of memory in use. ENERGY: 2278800 743.4609 2064.2252 1948.4667 111.9586 -206186.9490 17841.5714 0.0000 0.0000 34367.8428 -149109.4234 300.1429 -183477.2662 -149012.1206 299.1943 -18.0839 12.9305 556252.5160 -24.7900 -24.9192 PRESSURE: 2279000 -108.123 -63.2917 12.104 -63.2916 19.0413 -45.1468 12.1053 -45.1476 25.8332 GPRESSURE: 2279000 -16.2999 -15.844 110.933 -77.317 33.4679 13.3703 -24.6235 -74.1125 23.7687 PRESSAVG: 2279000 -1.05434 -42.0465 -24.9651 -42.0465 22.8865 16.0249 -24.9652 16.0248 -24.7393 GPRESSAVG: 2279000 -1.07641 -40.715 -25.4333 -42.4407 22.3514 14.785 -24.8205 16.9812 -24.6189 TIMING: 2279000 CPU: 6786.53, 0.00300592/step Wall: 6786.53, 0.00300592/step, 2.27197 hours remaining, 206.835938 MB of memory in use. ENERGY: 2279000 754.3210 2062.9140 1955.1767 113.7888 -206087.9562 17776.8528 0.0000 0.0000 34240.0997 -149184.8031 299.0273 -183424.9028 -149080.4155 299.8864 -21.0827 13.6455 559636.4257 -0.9691 -1.1146 PRESSURE: 2279200 -103.148 74.5645 -57.8632 74.5652 -228.424 -78.776 -57.862 -78.7761 -206.909 GPRESSURE: 2279200 -54.9729 -26.0052 16.2453 89.1329 -204.159 -42.7301 -57.4309 -77.6896 -180.015 PRESSAVG: 2279200 -24.9449 -82.9019 -13.408 -82.9019 -10.8185 14.3915 -13.408 14.3914 51.9569 GPRESSAVG: 2279200 -24.9561 -83.0602 -10.6172 -81.7012 -10.0071 13.3165 -14.2961 12.878 51.9025 TIMING: 2279200 CPU: 6787.13, 0.00300348/step Wall: 6787.13, 0.00300348/step, 2.26996 hours remaining, 206.835938 MB of memory in use. ENERGY: 2279200 770.9203 2025.3289 1926.2394 113.6545 -206198.4084 17771.0583 0.0000 0.0000 34277.7901 -149313.4169 299.3565 -183591.2070 -149220.8861 299.1374 -179.4937 -146.3823 559576.5095 5.3978 5.6464 PRESSURE: 2279400 -131.692 -20.2968 -130.745 -20.2984 13.7824 22.6249 -130.745 22.6252 -279.657 GPRESSURE: 2279400 -140.693 3.8002 -176.795 11.2066 37.8555 60.6641 -128.314 -54.0667 -202.017 PRESSAVG: 2279400 -18.0483 12.825 -67.6308 12.825 26.351 -35.4566 -67.6308 -35.4567 -14.6813 GPRESSAVG: 2279400 -17.2393 12.1109 -70.8519 10.3231 26.2472 -34.427 -66.2686 -36.6212 -15.5232 TIMING: 2279400 CPU: 6787.73, 0.00299803/step Wall: 6787.73, 0.00299803/step, 2.26568 hours remaining, 206.835938 MB of memory in use. ENERGY: 2279400 762.3293 2049.5946 1915.5850 112.6571 -205971.5488 17584.9031 0.0000 0.0000 34166.0914 -149380.3884 298.3810 -183546.4798 -149289.2000 298.0773 -132.5219 -101.6179 558950.7942 -2.1262 -2.1718 PRESSURE: 2279600 -12.6163 46.2961 54.8533 46.2964 -21.7379 -54.8151 54.8536 -54.8162 -145.247 GPRESSURE: 2279600 21.7868 101.872 15.3223 10.921 -3.19231 -18.9448 105.26 11.0835 -105.531 PRESSAVG: 2279600 83.6067 30.8842 -0.823712 30.8844 -24.2803 43.1723 -0.823755 43.1722 -26.404 GPRESSAVG: 2279600 83.746 31.9447 -0.0527855 34.0424 -25.2066 43.1515 -0.552028 45.9346 -25.4869 TIMING: 2279600 CPU: 6788.33, 0.00299774/step Wall: 6788.33, 0.00299774/step, 2.26529 hours remaining, 206.835938 MB of memory in use. ENERGY: 2279600 716.1963 2032.4454 1930.1339 102.3852 -205730.1392 17525.3432 0.0000 0.0000 34071.6053 -149352.0298 297.5558 -183423.6352 -149259.3784 298.4052 -59.8671 -28.9788 557919.9429 10.9741 11.0175 PRESSURE: 2279800 -177.74 152.211 52.5044 152.211 -127.409 -216.76 52.5056 -216.761 -62.2512 GPRESSURE: 2279800 -133.886 135.838 39.4112 199.593 -55.5734 -208.593 -4.77211 -137.479 -71.3323 PRESSAVG: 2279800 -18.2124 27.4428 34.1701 27.4428 1.51203 -9.81535 34.1701 -9.81513 5.97511 GPRESSAVG: 2279800 -19.9876 27.0602 33.9361 27.2751 2.88786 -12.2938 34.4071 -8.98751 6.39119 TIMING: 2279800 CPU: 6788.92, 0.00296551/step Wall: 6788.92, 0.00296551/step, 2.24077 hours remaining, 206.835938 MB of memory in use. ENERGY: 2279800 748.6815 2068.1153 1936.1933 103.8981 -205971.6215 17677.9402 0.0000 0.0000 34108.3223 -149328.4708 297.8765 -183436.7931 -149227.0256 299.1996 -122.4668 -86.9305 557991.6681 -3.5751 -3.5695 PRESSURE: 2280000 189.215 144.71 -67.2713 144.71 -136.763 -72.2718 -67.2717 -72.2713 68.3817 GPRESSURE: 2280000 190.288 113.593 -127.107 165.828 -94.3904 -71.2705 -6.07245 -40.0766 130.918 PRESSAVG: 2280000 -0.931649 18.848 5.49252 18.8481 -3.91804 -30.2126 5.49248 -30.2127 13.1621 GPRESSAVG: 2280000 -0.342649 21.2868 5.07443 17.4236 -5.74515 -26.6942 5.38832 -34.8997 14.4629 TIMING: 2280000 CPU: 6789.52, 0.00296307/step Wall: 6789.52, 0.00296307/step, 2.23876 hours remaining, 206.835938 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: 2280000 692.0790 2125.5399 1920.9671 98.6503 -206023.5329 17758.3915 0.0000 0.0000 34118.9047 -149309.0004 297.9689 -183427.9051 -149214.2563 298.8468 40.2781 75.6052 558278.0206 2.7708 2.7917 PRESSURE: 2280200 35.013 91.6692 41.5715 91.6697 146.898 163.902 41.5709 163.9 -52.4109 GPRESSURE: 2280200 75.2768 49.5859 -1.66306 -6.44373 164.826 137.92 57.8672 97.8455 -16.6349 PRESSAVG: 2280200 17.1605 -23.3533 32.2024 -23.3534 -55.1878 25.182 32.2022 25.1821 31.0187 GPRESSAVG: 2280200 18.7519 -26.5777 32.0741 -21.9166 -53.8506 23.1343 30.9515 29.5489 28.6921 TIMING: 2280200 CPU: 6790.11, 0.002953/step Wall: 6790.11, 0.002953/step, 2.23099 hours remaining, 206.835938 MB of memory in use. ENERGY: 2280200 772.6443 2113.5254 1931.1454 114.1904 -206207.6244 17692.4449 0.0000 0.0000 34210.1134 -149373.5607 298.7654 -183583.6741 -149283.9042 298.7850 43.1669 74.4894 555702.8461 -2.3362 -2.1356 LDB: ============= START OF LOAD BALANCING ============== 6793.53 LDB: ============== END OF LOAD BALANCING =============== 6793.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6793.54 LDB: ============= START OF LOAD BALANCING ============== 6793.84 LDB: Largest compute 4849 load 0.028559 is 24.2% of average load 0.117989 LDB: Average compute 0.001726 is 1.5% of average load 0.117989 LDB: TIME 6793.84 LOAD: AVG 0.117989 MAX 0.206785 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.836 MB LDB: TIME 6793.84 LOAD: AVG 0.117989 MAX 0.206785 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.836 MB LDB: TIME 6793.84 LOAD: AVG 0.117989 MAX 0.206785 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.836 MB LDB: ============== END OF LOAD BALANCING =============== 6793.84 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6793.85 PRESSURE: 2280400 116.581 -37.3956 -41.6433 -37.3963 304.338 195.273 -41.643 195.272 146.277 GPRESSURE: 2280400 118.931 -52.6683 -18.6244 19.3918 365.657 191.186 -94.9211 140.097 162.5 PRESSAVG: 2280400 23.6827 -19.7702 -28.4525 -19.7701 -38.4612 20.3087 -28.4527 20.3087 9.4472 GPRESSAVG: 2280400 23.1254 -19.6532 -27.3354 -18.8636 -39.0983 20.0187 -26.9035 20.3507 10.7181 TIMING: 2280400 CPU: 6790.72, 0.00305068/step Wall: 6790.72, 0.00305068/step, 2.30462 hours remaining, 205.156250 MB of memory in use. ENERGY: 2280400 750.5387 2026.4828 1954.8716 114.0334 -206375.6126 17977.5503 0.0000 0.0000 34304.0145 -149248.1211 299.5855 -183552.1356 -149156.1375 298.8322 189.0653 215.6961 555067.1503 -1.7771 -1.7516 PRESSURE: 2280600 158.372 -83.0569 -125.954 -83.058 -45.8035 -98.6527 -125.955 -98.652 253.089 GPRESSURE: 2280600 142.242 -228.987 -91.4476 38.9122 64.5413 36.1454 -89.1434 -235.491 262.469 PRESSAVG: 2280600 43.3211 -26.6007 -21.2619 -26.6006 -94.9804 -10.2938 -21.2619 -10.294 30.1045 GPRESSAVG: 2280600 43.053 -26.6217 -21.5652 -26.5331 -94.1276 -8.39319 -19.8843 -9.99538 29.4661 TIMING: 2280600 CPU: 6791.32, 0.00301363/step Wall: 6791.32, 0.00301363/step, 2.27646 hours remaining, 205.156250 MB of memory in use. ENERGY: 2280600 688.5458 2046.0891 1927.2185 104.0900 -206392.3864 17857.9502 0.0000 0.0000 34442.7601 -149325.7326 300.7972 -183768.4927 -149228.3452 299.0501 121.8857 156.4173 557064.7374 -7.1849 -7.2028 PRESSURE: 2280800 -70.3078 -416.599 -193.451 -416.6 178.022 -189.632 -193.453 -189.633 -342.885 GPRESSURE: 2280800 17.3292 -361.313 -251.748 -427.255 163.402 -90.689 -148.04 -274.645 -320.662 PRESSAVG: 2280800 68.4342 -51.8069 -7.02318 -51.8069 20.4863 30.0393 -7.02307 30.0395 -61.8595 GPRESSAVG: 2280800 67.6015 -51.2255 -7.22485 -52.3136 20.2089 31.9291 -7.00527 28.1549 -61.5527 TIMING: 2280800 CPU: 6791.91, 0.00297878/step Wall: 6791.91, 0.00297878/step, 2.24997 hours remaining, 205.156250 MB of memory in use. ENERGY: 2280800 734.0984 2104.8767 1933.9345 122.4008 -206086.1197 17665.4681 0.0000 0.0000 34298.8492 -149226.4919 299.5404 -183525.3412 -149132.3217 299.0900 -78.3903 -46.6438 555976.5767 9.0203 8.7526 PRESSURE: 2281000 434.562 36.6856 34.458 36.6867 -136.732 -137.56 34.4585 -137.559 -173.345 GPRESSURE: 2281000 395.763 19.758 155.554 4.46713 -76.7445 -62.8689 -95.829 -190.549 -97.7643 PRESSAVG: 2281000 1.45471 -6.26487 -14.4107 -6.26481 -33.6687 27.5738 -14.4106 27.5739 6.42321 GPRESSAVG: 2281000 1.67075 -6.1727 -14.5746 -5.61382 -33.9714 25.321 -16.5606 25.7662 6.25923 TIMING: 2281000 CPU: 6792.51, 0.00298285/step Wall: 6792.51, 0.00298285/step, 2.25288 hours remaining, 205.156250 MB of memory in use. ENERGY: 2281000 740.8947 2106.5003 1935.5408 118.5474 -206227.9693 17833.3299 0.0000 0.0000 34144.8754 -149348.2809 298.1957 -183493.1563 -149251.7861 299.1275 41.4949 73.7513 557274.7517 -8.5969 -8.6805 PRESSURE: 2281200 -92.1324 94.1087 183.644 94.1088 -96.4196 122.35 183.644 122.349 -7.92546 GPRESSURE: 2281200 -58.8936 39.1816 176.916 99.4156 -116.684 158.21 179.755 101.915 66.4122 PRESSAVG: 2281200 69.6096 -17.701 -3.94552 -17.7009 -94.2235 -35.2671 -3.94554 -35.2671 27.1151 GPRESSAVG: 2281200 68.6212 -17.5919 -4.19368 -19.9278 -93.566 -35.1426 -4.18558 -32.9229 27.7356 TIMING: 2281200 CPU: 6793.11, 0.00297548/step Wall: 6793.11, 0.00297548/step, 2.24715 hours remaining, 205.156250 MB of memory in use. ENERGY: 2281200 721.6258 2112.6377 1951.2986 119.4541 -206285.1339 17750.4652 0.0000 0.0000 34273.1283 -149356.5242 299.3158 -183629.6525 -149261.6734 298.3833 -65.4925 -36.3883 557638.5520 0.8337 0.9303 PRESSURE: 2281400 233.885 -104.455 -59.5337 -104.454 89.5491 17.7047 -59.5344 17.7069 261.679 GPRESSURE: 2281400 336.267 -135.033 -90.344 -41.8708 113.73 25.8578 0.888944 -2.14201 230.097 PRESSAVG: 2281400 13.0529 27.9851 -4.53241 27.9851 12.6687 20.3303 -4.53236 20.3303 -2.25025 GPRESSAVG: 2281400 14.0635 27.6572 -4.70096 29.3597 12.4155 20.666 -3.88918 19.3907 -2.3618 TIMING: 2281400 CPU: 6793.71, 0.00300862/step Wall: 6793.71, 0.00300862/step, 2.27201 hours remaining, 205.156250 MB of memory in use. ENERGY: 2281400 725.2288 2161.4595 1935.4913 128.0952 -206991.6045 18229.4393 0.0000 0.0000 34371.8469 -149440.0435 300.1779 -183811.8904 -149344.7968 299.1494 195.0379 226.6978 556238.0730 7.8238 8.0391 PRESSURE: 2281600 -143.759 -47.2152 -75.7569 -47.217 -1.95572 195.328 -75.7573 195.328 61.1731 GPRESSURE: 2281600 -88.213 -10.4248 -46.9497 -79.4329 66.5089 217.222 -82.2426 142.563 46.7342 PRESSAVG: 2281600 -5.64052 -10.6263 -27.2524 -10.6263 10.8939 54.9924 -27.2523 54.9923 -0.914866 GPRESSAVG: 2281600 -5.2247 -9.69852 -25.5974 -10.9661 11.1035 54.6921 -26.9005 55.8505 -1.27504 TIMING: 2281600 CPU: 6794.31, 0.00299088/step Wall: 6794.31, 0.00299088/step, 2.25845 hours remaining, 205.156250 MB of memory in use. ENERGY: 2281600 779.1278 2102.9310 1922.2132 113.8376 -206354.5376 17732.7566 0.0000 0.0000 34289.7489 -149413.9225 299.4609 -183703.6713 -149322.1270 299.3274 -28.1804 8.3434 555972.1605 1.4462 1.5346 PRESSURE: 2281800 -51.0503 111.786 91.142 111.785 280.53 63.7619 91.1422 63.7622 -76.5624 GPRESSURE: 2281800 -63.0774 -0.028684 10.2044 128.657 329.223 22.3359 154.168 72.0511 8.34464 PRESSAVG: 2281800 -40.5362 11.2608 -0.977621 11.2608 35.0066 5.28919 -0.977628 5.2893 3.14759 GPRESSAVG: 2281800 -41.052 8.56354 -1.08841 13.7299 35.2599 6.23578 -0.979637 4.58015 3.17058 TIMING: 2281800 CPU: 6794.9, 0.00297484/step Wall: 6794.9, 0.00297484/step, 2.24617 hours remaining, 205.156250 MB of memory in use. ENERGY: 2281800 758.8302 2081.6834 1951.2259 115.5290 -206313.9263 17832.7171 0.0000 0.0000 34183.2862 -149390.6545 298.5311 -183573.9407 -149301.9211 299.0842 50.9724 91.4968 556108.7365 -0.7940 -0.8738 PRESSURE: 2282000 -254.842 -95.9219 78.046 -95.9224 -94.1415 11.0557 78.0455 11.0559 -157.51 GPRESSURE: 2282000 -227.246 -186.078 101.722 -68.3985 -89.3804 -16.8101 64.5059 87.1438 -114.142 PRESSAVG: 2282000 -39.3684 28.7906 -24.4791 28.7905 28.687 -32.7494 -24.4792 -32.7495 -2.0909 GPRESSAVG: 2282000 -39.7308 31.3675 -23.1402 26.1737 29.4009 -32.5685 -24.8709 -31.8589 -2.47403 TIMING: 2282000 CPU: 6795.5, 0.00298729/step Wall: 6795.5, 0.00298729/step, 2.2554 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: 2282000 738.1185 2096.3456 1940.1798 97.9881 -205944.4948 17526.3080 0.0000 0.0000 34101.8300 -149443.7248 297.8198 -183545.5547 -149343.8071 298.8011 -168.8310 -143.5895 558184.6375 -4.2574 -4.2680 PRESSURE: 2282200 -339.904 -57.5442 -28.1135 -57.5449 -234.371 51.2079 -28.1127 51.2079 -73.7144 GPRESSURE: 2282200 -288.305 -84.3362 12.0044 -24.9011 -200.952 77.3953 -45.9577 8.02112 -65.2333 PRESSAVG: 2282200 -90.1291 27.727 -54.8119 27.727 31.6634 -10.4099 -54.8119 -10.4098 28.5754 GPRESSAVG: 2282200 -89.0941 25.4031 -54.2565 29.2834 30.2145 -9.83762 -57.3807 -11.2279 29.6438 TIMING: 2282200 CPU: 6796.1, 0.00298121/step Wall: 6796.1, 0.00298121/step, 2.25065 hours remaining, 205.156250 MB of memory in use. ENERGY: 2282200 715.6085 2124.0602 1936.1711 105.0557 -205836.5207 17408.8219 0.0000 0.0000 34106.3154 -149440.4880 297.8589 -183546.8033 -149342.7707 298.1022 -215.9963 -184.8300 559919.5039 -9.9634 -9.7453 PRESSURE: 2282400 73.9329 -164.438 168.667 -164.437 -82.61 156.168 168.668 156.168 -60.7209 GPRESSURE: 2282400 101.685 -60.4826 137.951 -203.775 -24.2483 150.488 187.325 157.655 -51.3142 PRESSAVG: 2282400 26.1664 -29.984 36.6639 -29.984 -15.1345 -1.8286 36.6638 -1.82864 -15.3753 GPRESSAVG: 2282400 25.5573 -27.115 35.6983 -30.8181 -15.2253 -3.27194 38.1728 -0.620946 -14.8253 TIMING: 2282400 CPU: 6796.7, 0.00300406/step Wall: 6796.7, 0.00300406/step, 2.26773 hours remaining, 205.156250 MB of memory in use. ENERGY: 2282400 756.2636 2113.4314 1946.1554 113.1842 -206601.6740 17852.3890 0.0000 0.0000 34394.7519 -149425.4985 300.3779 -183820.2504 -149327.9762 297.9688 -23.1326 8.7074 557781.6653 -1.4478 -1.4978 PRESSURE: 2282600 93.7184 -194.023 -15.057 -194.022 94.1279 -76.815 -15.0579 -76.8142 47.1942 GPRESSURE: 2282600 169.085 -268.46 -7.68579 -154.703 91.085 2.87325 -45.031 -29.6442 70.1231 PRESSAVG: 2282600 -43.6328 -78.0313 -7.68609 -78.0313 11.8536 3.71897 -7.68609 3.71899 10.7533 GPRESSAVG: 2282600 -43.5408 -79.2937 -8.5181 -79.0915 12.9623 4.67407 -8.62574 5.71943 10.0933 TIMING: 2282600 CPU: 6797.3, 0.00299698/step Wall: 6797.3, 0.00299698/step, 2.26222 hours remaining, 205.156250 MB of memory in use. ENERGY: 2282600 734.7590 2059.8937 1952.8958 119.5337 -206635.2355 18042.0754 0.0000 0.0000 34379.7357 -149346.3422 300.2468 -183726.0779 -149251.6799 299.1088 78.3468 110.0978 557547.7979 -7.0087 -6.8284 PRESSURE: 2282800 -10.7477 3.61 210.726 3.60998 -123.614 -126.173 210.726 -126.174 -116.312 GPRESSURE: 2282800 -18.9268 56.3208 143.971 -60.1643 -60.337 -95.9503 186.568 -131.656 -58.7556 PRESSAVG: 2282800 3.23981 -29.5159 5.56431 -29.5159 -20.7772 0.471486 5.56427 0.471411 16.4301 GPRESSAVG: 2282800 2.77279 -29.1577 5.11518 -27.5986 -21.1879 0.480077 7.47406 -2.3643 17.632 TIMING: 2282800 CPU: 6797.9, 0.00299953/step Wall: 6797.9, 0.00299953/step, 2.26398 hours remaining, 205.156250 MB of memory in use. ENERGY: 2282800 768.0505 2028.7753 1939.5715 109.4320 -205954.1628 17607.6654 0.0000 0.0000 34256.3823 -149244.2858 299.1695 -183500.6681 -149144.9342 299.0011 -83.5579 -46.0065 557310.6422 -0.3691 -0.2610 PRESSURE: 2283000 7.0109 -18.7192 0.0594848 -18.7189 143.462 169.983 0.0590731 169.981 -149.935 GPRESSURE: 2283000 82.4655 -54.7844 38.5482 15.2612 166.807 211.32 36.1662 55.2203 -151.491 PRESSAVG: 2283000 6.62676 -7.74688 -17.5418 -7.74684 -3.46649 -46.078 -17.5418 -46.078 20.2938 GPRESSAVG: 2283000 7.66999 -10.0363 -16.5366 -7.07749 -4.65606 -46.6324 -16.5684 -47.2998 20.0931 TIMING: 2283000 CPU: 6798.49, 0.00299121/step Wall: 6798.49, 0.00299121/step, 2.25754 hours remaining, 205.156250 MB of memory in use. ENERGY: 2283000 789.4550 2074.8094 1944.1910 104.5714 -206121.3971 17711.9007 0.0000 0.0000 34082.2843 -149414.1853 297.6491 -183496.4696 -149320.2317 298.7359 0.1793 32.5937 557366.2294 7.8180 7.7023 PRESSURE: 2283200 -124.001 -9.63089 29.6559 -9.63088 32.6813 178.634 29.6569 178.634 -82.6629 GPRESSURE: 2283200 -64.8082 -98.0658 50.5451 -18.2457 90.7728 62.5898 16.7294 219.262 -89.6534 PRESSAVG: 2283200 72.6559 8.48516 9.67123 8.48524 28.5696 29.2148 9.67122 29.2148 -67.7336 GPRESSAVG: 2283200 71.7525 8.30501 8.97138 11.2277 30.4607 27.7753 8.04865 29.9867 -68.0817 TIMING: 2283200 CPU: 6799.09, 0.00298481/step Wall: 6799.09, 0.00298481/step, 2.25254 hours remaining, 205.156250 MB of memory in use. ENERGY: 2283200 732.3719 2108.2329 1937.5391 115.9961 -206149.4454 17625.0669 0.0000 0.0000 34179.0755 -149451.1630 298.4944 -183630.2385 -149352.7296 298.7883 -57.9943 -21.2296 557325.3222 11.1640 11.3772 PRESSURE: 2283400 61.052 -126.449 -53.6371 -126.447 345.457 -26.0879 -53.6378 -26.0902 299.701 GPRESSURE: 2283400 155.956 -129.7 -10.4483 -32.8273 351.883 -25.2462 -31.8883 -48.1995 294.722 PRESSAVG: 2283400 -14.4372 50.0309 7.57502 50.0309 -5.64641 8.40903 7.57501 8.40889 -22.6066 GPRESSAVG: 2283400 -14.2108 52.2638 6.5049 45.5201 -5.65114 10.0183 9.17944 9.82578 -22.5549 TIMING: 2283400 CPU: 6799.69, 0.00301973/step Wall: 6799.69, 0.00301973/step, 2.27872 hours remaining, 205.156250 MB of memory in use. ENERGY: 2283400 747.8845 2043.6846 1942.0937 124.2903 -206636.9685 18160.7092 0.0000 0.0000 34299.1750 -149319.1311 299.5432 -183618.3061 -149230.6050 298.6517 235.4035 267.5202 556393.4769 -14.2301 -14.1390 PRESSURE: 2283600 300.736 -107.66 96.3074 -107.661 71.1076 216.45 96.3078 216.45 -69.4269 GPRESSURE: 2283600 360.035 -103.633 53.4045 -133.602 34.0793 120.732 125.423 125.33 -9.84046 PRESSAVG: 2283600 58.6365 -25.1006 33.2745 -25.1006 -4.49717 30.1962 33.2745 30.1961 -48.7324 GPRESSAVG: 2283600 57.7263 -25.1234 35.6721 -24.9313 -4.52504 27.4973 32.3133 32.1682 -48.3106 TIMING: 2283600 CPU: 6800.3, 0.00301433/step Wall: 6800.3, 0.00301433/step, 2.27448 hours remaining, 205.156250 MB of memory in use. ENERGY: 2283600 719.4787 2170.6406 1931.9725 110.3191 -206437.0610 17982.8233 0.0000 0.0000 34222.2438 -149299.5830 298.8714 -183521.8268 -149209.9661 298.9853 100.8056 128.0914 557411.5269 1.8023 1.6302 PRESSURE: 2283800 -255.131 92.4256 -155.348 92.4254 -47.4776 165.612 -155.348 165.613 -238.145 GPRESSURE: 2283800 -170.387 -47.9428 -71.5597 60.5201 -57.7506 163.152 -172.681 207.141 -214.759 PRESSAVG: 2283800 5.46666 -30.5513 0.124835 -30.5512 2.9663 -17.3652 0.124854 -17.3652 -18.5715 GPRESSAVG: 2283800 5.75267 -32.6844 -1.5339 -28.4236 2.68902 -14.0005 0.0492134 -19.4582 -18.952 TIMING: 2283800 CPU: 6800.9, 0.00299459/step Wall: 6800.9, 0.00299459/step, 2.25942 hours remaining, 205.156250 MB of memory in use. ENERGY: 2283800 787.5290 2024.9126 1945.2862 106.6485 -206144.0618 17599.3348 0.0000 0.0000 34418.6724 -149261.6784 300.5868 -183680.3508 -149176.0285 299.7361 -180.2514 -147.6323 558309.0434 -3.3795 -3.5034 PRESSURE: 2284000 339.549 31.5996 -188.076 31.6 108.324 37.4333 -188.076 37.433 224.76 GPRESSURE: 2284000 384.943 73.8938 -223.896 32.5262 183.315 -174.906 -212.841 107.053 202.026 PRESSAVG: 2284000 56.8181 36.3107 15.5952 36.3106 -32.1215 6.41164 15.5952 6.41164 0.357616 GPRESSAVG: 2284000 55.8134 37.305 15.5943 34.4675 -31.4432 6.18322 16.0579 4.11919 0.457176 TIMING: 2284000 CPU: 6801.5, 0.00300952/step Wall: 6801.5, 0.00300952/step, 2.27052 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: 2284000 755.0187 2079.4090 1931.6354 109.3988 -206672.6070 18273.7339 0.0000 0.0000 34276.6438 -149246.7674 299.3465 -183523.4112 -149147.4641 299.1045 224.2112 256.7614 558227.9657 8.3514 8.2758 PRESSURE: 2284200 -121.024 -8.7027 -103.056 -8.70422 -377.137 -79.5041 -103.055 -79.5036 -238.551 GPRESSURE: 2284200 -135.604 -76.7118 -128.618 83.5039 -278.231 -34.1712 -139.017 -121.521 -226.919 PRESSAVG: 2284200 37.3758 1.13524 44.86 1.13525 24.5799 34.0228 44.8601 34.0227 -68.7467 GPRESSAVG: 2284200 36.7887 1.01349 44.4075 1.17025 25.4202 33.6054 45.3227 38.1384 -68.8409 TIMING: 2284200 CPU: 6802.1, 0.00303197/step Wall: 6802.1, 0.00303197/step, 2.28728 hours remaining, 205.156250 MB of memory in use. ENERGY: 2284200 768.9750 2134.5346 1927.5014 112.7263 -205694.6223 17577.6558 0.0000 0.0000 34005.1138 -149168.1153 296.9751 -183173.2291 -149071.7065 299.1750 -245.5705 -213.5845 558990.4366 -2.2637 -2.2107 LDB: ============= START OF LOAD BALANCING ============== 6805.53 LDB: ============== END OF LOAD BALANCING =============== 6805.53 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6805.54 LDB: ============= START OF LOAD BALANCING ============== 6805.84 LDB: Largest compute 4849 load 0.030128 is 25.5% of average load 0.118016 LDB: Average compute 0.001727 is 1.5% of average load 0.118016 LDB: TIME 6805.84 LOAD: AVG 0.118016 MAX 0.203348 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.926 MB LDB: TIME 6805.84 LOAD: AVG 0.118016 MAX 0.203348 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.953 MB LDB: TIME 6805.84 LOAD: AVG 0.118016 MAX 0.203348 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.953 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 ================ 6805.84 PRESSURE: 2284400 109.664 -16.362 57.3681 -16.3614 -243.648 -51.7265 57.369 -51.7256 -278.82 GPRESSURE: 2284400 156.468 -3.11554 -18.8823 -27.2183 -234.376 -25.5898 75.5982 -0.198071 -251.042 PRESSAVG: 2284400 27.9026 -54.1962 0.1447 -54.1963 -36.9699 61.2707 0.144701 61.2707 0.61582 GPRESSAVG: 2284400 30.0125 -54.5177 0.742987 -54.5407 -38.7554 61.6857 -1.78187 57.7768 0.370935 TIMING: 2284400 CPU: 6802.72, 0.00305412/step Wall: 6802.72, 0.00305412/step, 2.30382 hours remaining, 204.511719 MB of memory in use. ENERGY: 2284400 754.2900 2116.7910 1972.8607 112.2534 -206155.6923 17820.8126 0.0000 0.0000 34249.5727 -149129.1119 299.1100 -183378.6846 -149027.4677 299.1049 -137.6015 -109.6502 558633.1589 -2.8172 -2.7906 PRESSURE: 2284600 198.509 -35.5898 -231.145 -35.5919 -218.06 -76.656 -231.146 -76.6541 -23.7283 GPRESSURE: 2284600 177.413 -8.33814 -265.827 -103.61 -95.8598 -43.011 -138.743 -74.3607 -19.1735 PRESSAVG: 2284600 20.5198 -9.58334 16.7463 -9.58336 -47.4354 -3.66969 16.7465 -3.66973 16.3418 GPRESSAVG: 2284600 19.5786 -6.34959 16.7387 -10.0435 -46.5353 -4.63822 17.3308 -2.79182 15.6705 TIMING: 2284600 CPU: 6803.31, 0.00299454/step Wall: 6803.31, 0.00299454/step, 2.25872 hours remaining, 204.511719 MB of memory in use. ENERGY: 2284600 768.2584 2126.7175 1947.0258 114.9718 -206228.0711 17793.0625 0.0000 0.0000 34364.8355 -149113.1995 300.1167 -183478.0350 -149019.8397 299.7927 -14.4265 20.7930 557263.5450 -3.5246 -3.7621 PRESSURE: 2284800 20.482 31.309 111.113 31.308 -116.048 -142.018 111.112 -142.017 -8.32499 GPRESSURE: 2284800 62.4376 1.58176 42.8152 -13.2767 -81.927 -115.701 78.2489 -213.023 18.4011 PRESSAVG: 2284800 44.8945 11.1539 -18.6627 11.1539 -12.4334 -12.105 -18.6627 -12.1051 -21.9107 GPRESSAVG: 2284800 45.0394 9.97689 -18.5048 10.8647 -13.0928 -12.34 -18.4338 -11.5043 -21.1933 TIMING: 2284800 CPU: 6803.91, 0.00297911/step Wall: 6803.91, 0.00297911/step, 2.24691 hours remaining, 204.511719 MB of memory in use. ENERGY: 2284800 757.4810 2036.2045 1966.8026 117.0014 -206508.6399 17870.3871 0.0000 0.0000 34568.3427 -149192.4205 301.8939 -183760.7632 -149102.9744 299.6511 -34.6303 -0.3628 557316.3982 3.5168 3.5844 PRESSURE: 2285000 -241.404 -34.1753 -93.0216 -34.1756 171.705 15.685 -93.0223 15.6846 -87.852 GPRESSURE: 2285000 -244.486 -73.9892 -119.719 -44.4463 182.59 -29.2691 -120.023 72.9111 6.42701 PRESSAVG: 2285000 -67.9613 0.684993 4.82453 0.685056 61.4355 44.3302 4.82451 44.3302 20.9122 GPRESSAVG: 2285000 -67.9959 -1.61913 2.972 3.56714 61.6603 44.7964 3.39932 44.5964 20.6768 TIMING: 2285000 CPU: 6804.5, 0.0029704/step Wall: 6804.5, 0.0029704/step, 2.24017 hours remaining, 204.511719 MB of memory in use. ENERGY: 2285000 775.6903 2113.6043 1920.8333 117.9542 -206685.0539 18044.5738 0.0000 0.0000 34424.1540 -149288.2440 300.6347 -183712.3980 -149186.5247 299.2790 -52.5171 -18.4895 557400.9137 4.7955 4.7804 PRESSURE: 2285200 -131.378 -28.7713 42.5185 -28.7701 -126.806 -74.9728 42.5196 -74.9736 -30.5816 GPRESSURE: 2285200 -148.527 -99.4122 -46.7495 -64.4156 9.13111 -29.739 130.126 -55.0929 -45.7552 PRESSAVG: 2285200 -58.3616 -35.0938 -56.6521 -35.0939 -0.467779 32.2157 -56.652 32.2159 67.9529 GPRESSAVG: 2285200 -58.1189 -32.5503 -56.939 -35.2191 -0.706672 31.5743 -56.3809 32.8615 68.0094 TIMING: 2285200 CPU: 6805.1, 0.00297955/step Wall: 6805.1, 0.00297955/step, 2.24691 hours remaining, 204.511719 MB of memory in use. ENERGY: 2285200 785.6239 2094.7120 1920.8670 102.6891 -206264.7897 17818.5824 0.0000 0.0000 34173.3722 -149368.9431 298.4446 -183542.3153 -149272.6666 299.3997 -96.2552 -61.7169 557930.3318 3.0412 3.0613 PRESSURE: 2285400 119.056 -205.011 -31.6059 -205.011 -14.752 107.196 -31.6053 107.196 22.5366 GPRESSURE: 2285400 148.434 -167.507 76.6288 -251.251 -9.24754 170.79 -182.593 39.5306 91.1414 PRESSAVG: 2285400 -11.5358 -16.9421 -36.3641 -16.942 26.8985 52.763 -36.3641 52.7631 -15.3328 GPRESSAVG: 2285400 -12.2588 -17.3795 -35.1853 -17.7726 25.4997 54.563 -36.3275 51.2024 -13.9295 TIMING: 2285400 CPU: 6805.7, 0.00298041/step Wall: 6805.7, 0.00298041/step, 2.24739 hours remaining, 204.511719 MB of memory in use. ENERGY: 2285400 748.4096 2094.0548 1947.6842 115.4311 -206449.2023 17934.3984 0.0000 0.0000 34166.4239 -149442.8003 298.3839 -183609.2242 -149348.7422 299.0849 42.2802 76.7761 558193.3694 0.0100 -0.2295 PRESSURE: 2285600 -142.546 -93.7504 17.6915 -93.7511 62.9518 -8.50168 17.6909 -8.5004 -69.4503 GPRESSURE: 2285600 -113.565 -11.4138 -65.6909 -58.1069 91.9824 -84.6633 68.2431 79.4185 -21.6965 PRESSAVG: 2285600 -20.5169 -32.785 -5.16488 -32.785 25.47 36.7539 -5.16487 36.754 9.29525 GPRESSAVG: 2285600 -20.1653 -34.3807 -6.51121 -30.9327 26.8494 35.6854 -5.39712 36.5343 7.95852 TIMING: 2285600 CPU: 6806.3, 0.00301592/step Wall: 6806.3, 0.00301592/step, 2.27401 hours remaining, 204.511719 MB of memory in use. ENERGY: 2285600 748.7236 2103.3527 1948.7205 112.9449 -206413.1751 17978.5636 0.0000 0.0000 34077.2271 -149443.6427 297.6049 -183520.8697 -149339.5992 298.3399 -49.6816 -14.4265 557971.2562 4.7494 4.8809 PRESSURE: 2285800 59.8892 191.771 69.8221 191.771 -186.973 -120.624 69.8218 -120.626 19.3525 GPRESSURE: 2285800 73.8108 69.268 85.265 247.702 -76.4107 -185.268 48.8995 -93.9611 -9.99399 PRESSAVG: 2285800 -47.093 -5.5941 11.7386 -5.59407 44.0756 -52.7677 11.7385 -52.7678 57.9224 GPRESSAVG: 2285800 -48.1813 -5.53542 12.9177 -5.65379 43.4068 -52.5256 12.7044 -52.6836 58.8541 TIMING: 2285800 CPU: 6806.9, 0.00302825/step Wall: 6806.9, 0.00302825/step, 2.28313 hours remaining, 204.511719 MB of memory in use. ENERGY: 2285800 748.8482 2109.2221 1948.6505 111.5712 -206217.1929 17827.3981 0.0000 0.0000 34041.7108 -149429.7920 297.2947 -183471.5029 -149338.7377 298.9342 -35.9104 -4.1980 558601.7725 18.3017 18.0266 PRESSURE: 2286000 -38.1415 222.149 -92.4656 222.149 -89.4724 1.33566 -92.4656 1.33603 -102.387 GPRESSURE: 2286000 28.1626 215.724 -69.0811 226.734 -64.5772 -50.1178 -179.131 25.5664 -112.028 PRESSAVG: 2286000 -16.9914 57.5927 9.8697 57.5926 14.9382 -25.3881 9.86973 -25.3881 26.0039 GPRESSAVG: 2286000 -15.6336 57.5651 8.68462 57.4134 13.6893 -25.4707 9.63297 -25.2036 25.5165 TIMING: 2286000 CPU: 6807.51, 0.00302792/step Wall: 6807.51, 0.00302791/step, 2.28271 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: 2286000 722.1266 2123.9828 1909.4292 120.8184 -206042.2222 17661.0367 0.0000 0.0000 34104.7858 -149400.0427 297.8456 -183504.8285 -149292.7460 297.9390 -76.6671 -49.4808 558538.9363 7.9836 7.8574 PRESSURE: 2286200 -134.285 -16.5798 -10.6962 -16.5787 -139.523 -61.0652 -10.6956 -61.0651 15.8389 GPRESSURE: 2286200 -63.3352 38.7798 -10.8809 -6.85522 -64.5576 -70.6219 -24.0901 -83.0777 -32.8563 PRESSAVG: 2286200 38.0009 6.62113 4.8389 6.62118 -16.4808 -1.8365 4.83898 -1.83658 -16.7694 GPRESSAVG: 2286200 37.3946 6.32288 5.41855 6.81291 -15.3303 -2.04391 5.10138 -2.73099 -16.5554 TIMING: 2286200 CPU: 6808.11, 0.00300332/step Wall: 6808.11, 0.00300332/step, 2.264 hours remaining, 204.511719 MB of memory in use. ENERGY: 2286200 740.0813 2125.1370 1964.3397 108.7386 -206400.1216 17792.9622 0.0000 0.0000 34173.0599 -149495.8030 298.4418 -183668.8629 -149399.6440 298.4039 -85.9896 -53.5830 557800.3284 1.5836 1.8363 PRESSURE: 2286400 -332.834 50.7043 -144.291 50.7037 -63.2605 41.0279 -144.291 41.0275 -157.747 GPRESSURE: 2286400 -285.227 66.0986 -76.183 6.23346 -81.8639 37.7392 -147.662 100.479 -91.051 PRESSAVG: 2286400 14.9774 5.79441 5.02659 5.79445 -47.8726 43.987 5.02662 43.9869 48.2977 GPRESSAVG: 2286400 15.059 6.94997 4.36441 4.88236 -48.101 43.9613 5.33921 44.9177 48.1239 TIMING: 2286400 CPU: 6808.71, 0.00301256/step Wall: 6808.71, 0.00301256/step, 2.2708 hours remaining, 204.511719 MB of memory in use. ENERGY: 2286400 788.4375 2101.4441 1955.9667 96.4714 -206100.3061 17636.8465 0.0000 0.0000 34200.2053 -149320.9346 298.6789 -183521.1399 -149224.7135 299.1435 -184.6139 -152.7140 560416.6560 5.1342 5.0273 PRESSURE: 2286600 118.189 -134.54 -15.1672 -134.54 171.128 28.0328 -15.1684 28.0336 43.6441 GPRESSURE: 2286600 156.508 -53.0963 28.6851 -116.712 225.004 61.4068 -18.7531 25.1545 54.5828 PRESSAVG: 2286600 -7.18697 71.3058 -52.0023 71.3059 -23.9533 -36.9893 -52.0023 -36.9892 19.883 GPRESSAVG: 2286600 -7.3205 70.9504 -50.7692 72.1321 -23.6327 -36.5851 -52.2499 -36.285 19.1799 TIMING: 2286600 CPU: 6809.31, 0.00296178/step Wall: 6809.31, 0.00296178/step, 2.23236 hours remaining, 204.511719 MB of memory in use. ENERGY: 2286600 765.4862 2063.4045 1955.2563 114.4312 -206723.2992 18199.3976 0.0000 0.0000 34188.4307 -149436.8928 298.5761 -183625.3235 -149347.8933 298.6057 110.9869 145.3647 558861.4612 -3.7524 -3.9245 PRESSURE: 2286800 -91.3757 -120.347 -130.104 -120.346 -46.6103 -12.1518 -130.103 -12.1528 154.601 GPRESSURE: 2286800 -72.2755 -138.877 -110.203 -123.856 -14.2409 -27.1689 -125.704 36.1803 207.453 PRESSAVG: 2286800 -18.8123 19.8136 -42.3928 19.8136 -28.1819 0.164626 -42.3927 0.164562 41.2302 GPRESSAVG: 2286800 -18.5117 20.9465 -42.5822 18.2259 -29.0351 0.313441 -41.5624 -0.397667 41.6277 TIMING: 2286800 CPU: 6809.9, 0.00294697/step Wall: 6809.9, 0.00294697/step, 2.22104 hours remaining, 204.511719 MB of memory in use. ENERGY: 2286800 759.2274 2067.7177 1945.2315 104.4351 -206206.2478 17820.9622 0.0000 0.0000 34241.0751 -149267.5989 299.0358 -183508.6740 -149169.6072 298.9338 5.5384 40.3121 558263.8151 -1.9213 -1.9730 PRESSURE: 2287000 60.6109 224.77 -194.686 224.771 -106.532 -111.26 -194.686 -111.26 52.3473 GPRESSURE: 2287000 76.5618 288.838 -214.657 206.694 -69.4042 -174.311 -236.545 -56.8886 96.8182 PRESSAVG: 2287000 22.5098 6.03786 -16.2203 6.03784 -3.2033 -74.1751 -16.2202 -74.1753 -2.47949 GPRESSAVG: 2287000 22.1146 5.94674 -18.0082 7.51903 -1.8508 -73.9775 -15.6955 -74.5483 -3.65085 TIMING: 2287000 CPU: 6810.49, 0.00299678/step Wall: 6810.49, 0.00299678/step, 2.25841 hours remaining, 204.511719 MB of memory in use. ENERGY: 2287000 748.5443 2132.8101 1954.0299 121.6294 -206442.8107 17858.4940 0.0000 0.0000 34277.3733 -149349.9296 299.3528 -183627.3029 -149257.9801 299.2902 2.1419 34.6586 557437.0041 5.6090 5.5377 PRESSURE: 2287200 -109.175 -82.5552 14.8071 -82.5551 -92.7279 42.8361 14.8068 42.8351 -216.63 GPRESSURE: 2287200 -91.0503 -115.057 75.8121 12.1533 -62.0223 49.3469 -8.57565 80.691 -156.762 PRESSAVG: 2287200 15.7755 6.20766 -9.01631 6.20771 -10.7258 -31.0032 -9.01617 -31.0029 17.9767 GPRESSAVG: 2287200 14.7046 4.40874 -6.41053 5.74092 -10.6794 -32.336 -12.6968 -29.6712 19.3782 TIMING: 2287200 CPU: 6811.09, 0.00299858/step Wall: 6811.09, 0.00299858/step, 2.2596 hours remaining, 204.511719 MB of memory in use. ENERGY: 2287200 761.3814 2095.7254 1941.6929 111.4903 -206581.5640 17939.0723 0.0000 0.0000 34320.6182 -149411.5835 299.7305 -183732.2017 -149320.4099 299.6255 -139.5111 -103.2782 558067.6187 7.6754 7.8011 PRESSURE: 2287400 341.371 -160.457 56.7229 -160.456 -20.3076 -31.3953 56.7227 -31.3945 113.99 GPRESSURE: 2287400 360.969 -137.511 1.80857 -120.757 2.54742 -137.06 -77.1182 -2.68156 157.626 PRESSAVG: 2287400 -23.2121 -24.495 -4.43174 -24.495 -37.6513 -26.1076 -4.4318 -26.1077 19.1201 GPRESSAVG: 2287400 -21.6699 -24.7551 -6.03097 -23.658 -38.2535 -26.182 -3.42999 -24.8563 18.7602 TIMING: 2287400 CPU: 6811.7, 0.00300706/step Wall: 6811.7, 0.00300706/step, 2.26582 hours remaining, 204.511719 MB of memory in use. ENERGY: 2287400 724.2572 2104.5051 1964.9741 109.7172 -206708.0156 18051.7807 0.0000 0.0000 34330.8118 -149421.9696 299.8195 -183752.7814 -149326.1818 298.9192 145.0177 173.7140 556556.5905 -13.9144 -13.7210 PRESSURE: 2287600 180.975 38.6691 -25.8366 38.6686 -83.7751 42.1505 -25.8365 42.1493 106.642 GPRESSURE: 2287600 193.642 128.789 35.1798 7.58393 -26.7303 -6.56043 -59.161 72.8548 143.242 PRESSAVG: 2287600 -26.9815 -32.4742 4.29963 -32.4742 -8.96171 -20.4428 4.29965 -20.4429 51.0632 GPRESSAVG: 2287600 -27.252 -32.2331 3.98171 -32.0138 -8.97257 -19.3321 6.78341 -21.0352 51.7556 TIMING: 2287600 CPU: 6812.29, 0.00298285/step Wall: 6812.29, 0.00298285/step, 2.24741 hours remaining, 204.511719 MB of memory in use. ENERGY: 2287600 746.6364 2146.8996 1949.0798 106.6792 -206608.6097 18114.4946 0.0000 0.0000 34029.0641 -149515.7560 297.1843 -183544.8201 -149418.6941 298.6838 67.9472 103.3844 558109.7593 5.0400 5.1770 PRESSURE: 2287800 8.24676 81.9762 -66.5798 81.9759 -72.3418 -22.2064 -66.5787 -22.2078 28.7455 GPRESSURE: 2287800 52.0573 65.6433 -111.86 84.3297 -48.2949 21.3486 -17.0121 -98.1339 59.5627 PRESSAVG: 2287800 6.30379 -4.16224 -13.5603 -4.16223 -22.9534 20.1139 -13.5604 20.114 40.6818 GPRESSAVG: 2287800 5.36218 -3.89217 -13.9563 -5.19636 -22.3139 19.6355 -14.941 18.7547 41.3149 TIMING: 2287800 CPU: 6812.89, 0.00299707/step Wall: 6812.89, 0.00299707/step, 2.25796 hours remaining, 204.511719 MB of memory in use. ENERGY: 2287800 733.4526 2100.0117 1980.0393 110.3700 -206617.0140 17980.4763 0.0000 0.0000 34301.9183 -149410.7459 299.5672 -183712.6642 -149316.6566 299.0687 -11.7832 21.1083 557637.6192 8.0107 8.1211 PRESSURE: 2288000 -67.5225 -7.62459 24.3673 -7.62481 -41.929 121.481 24.3657 121.48 60.1947 GPRESSURE: 2288000 21.8897 -13.3132 -9.2302 -63.4485 -31.3624 170.136 -1.46808 65.5617 64.8464 PRESSAVG: 2288000 37.294 -6.36976 -36.1239 -6.36978 -9.31393 7.19842 -36.1239 7.19851 -51.8815 GPRESSAVG: 2288000 38.7675 -3.78528 -35.5136 -6.25749 -8.39419 7.67248 -37.177 7.26565 -54.0999 TIMING: 2288000 CPU: 6813.5, 0.00301994/step Wall: 6813.5, 0.00301994/step, 2.27502 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: 2288000 807.2438 2109.5274 1953.9436 104.6857 -206244.5223 17890.3472 0.0000 0.0000 34010.9361 -149367.8385 297.0260 -183378.7746 -149272.1040 299.1345 -16.4189 18.4579 558469.3799 -7.9671 -7.9089 PRESSURE: 2288200 27.5639 56.0886 -94.0096 56.0897 31.2951 -82.548 -94.0093 -82.5499 32.3791 GPRESSURE: 2288200 75.6082 31.6523 -182.263 28.7379 32.8803 -108.778 -49.2237 -120.435 80.9529 PRESSAVG: 2288200 -43.4126 32.0123 24.5039 32.0123 46.9815 -31.3628 24.5039 -31.3628 -7.45642 GPRESSAVG: 2288200 -45.4215 29.3333 23.832 31.796 47.5945 -30.5382 25.4951 -30.8628 -5.77331 TIMING: 2288200 CPU: 6814.09, 0.00298966/step Wall: 6814.09, 0.00298966/step, 2.25205 hours remaining, 204.511719 MB of memory in use. ENERGY: 2288200 754.9289 2089.9304 1960.1050 105.2377 -206533.0083 18081.3945 0.0000 0.0000 34350.4672 -149190.9444 299.9912 -183541.4117 -149087.9809 299.5469 30.4127 63.1471 558224.5997 -1.2958 -1.2001 LDB: ============= START OF LOAD BALANCING ============== 6817.52 LDB: ============== END OF LOAD BALANCING =============== 6817.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6817.52 LDB: ============= START OF LOAD BALANCING ============== 6817.82 LDB: Largest compute 4849 load 0.028273 is 24.0% of average load 0.118012 LDB: Average compute 0.001729 is 1.5% of average load 0.118012 LDB: TIME 6817.83 LOAD: AVG 0.118012 MAX 0.204945 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.797 MB LDB: TIME 6817.83 LOAD: AVG 0.118012 MAX 0.204945 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.801 MB LDB: TIME 6817.83 LOAD: AVG 0.118012 MAX 0.204945 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.801 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6817.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6817.83 PRESSURE: 2288400 -16.1813 65.5421 -9.67593 65.544 228.65 32.3596 -9.67504 32.3583 278.34 GPRESSURE: 2288400 70.8035 52.6944 -59.1379 40.5219 214.911 92.4648 7.53665 45.048 301.764 PRESSAVG: 2288400 -10.6905 19.5082 23.2224 19.5081 -42.6502 -2.93455 23.2224 -2.93454 39.6023 GPRESSAVG: 2288400 -8.7162 18.4717 24.0777 19.1956 -43.7352 -4.59336 23.7274 -2.53494 38.0651 TIMING: 2288400 CPU: 6814.7, 0.00304852/step Wall: 6814.7, 0.00304852/step, 2.29621 hours remaining, 206.503906 MB of memory in use. ENERGY: 2288400 722.7276 2128.3491 1955.7184 108.1572 -206658.9377 18152.8892 0.0000 0.0000 34283.1418 -149307.9544 299.4032 -183591.0962 -149212.8023 300.5910 163.6029 195.8262 556377.1478 -4.5795 -4.7954 PRESSURE: 2288600 -236.601 81.4722 -63.5259 81.4731 -31.617 -27.974 -63.5265 -27.9736 33.3668 GPRESSURE: 2288600 -195.151 6.05909 -70.1416 126.037 -14.1084 60.6035 -27.2409 -88.4868 74.6861 PRESSAVG: 2288600 -14.5563 23.4478 -48.4459 23.4479 50.1448 33.5767 -48.446 33.5768 -38.6838 GPRESSAVG: 2288600 -15.482 23.2431 -49.0831 25.0514 49.5584 34.0212 -49.6348 34.5883 -37.0916 TIMING: 2288600 CPU: 6815.31, 0.00301183/step Wall: 6815.31, 0.00301183/step, 2.26841 hours remaining, 206.503906 MB of memory in use. ENERGY: 2288600 750.8511 2129.3344 1950.5813 101.3061 -206438.0203 17975.3344 0.0000 0.0000 34297.6859 -149232.9272 299.5302 -183530.6130 -149141.8086 299.9028 -78.2837 -44.8579 557327.4914 -1.0318 -1.0051 PRESSURE: 2288800 0.364437 -3.96559 -1.09239 -3.96369 -72.8817 44.3365 -1.0919 44.3365 -104.828 GPRESSURE: 2288800 13.2155 62.384 39.5851 -52.7962 5.06519 83.1344 -62.3647 68.0712 -85.1827 PRESSAVG: 2288800 23.451 35.743 7.9069 35.743 17.8695 1.76312 7.90685 1.76318 -42.4386 GPRESSAVG: 2288800 23.1005 37.3943 8.30172 33.6889 18.4969 2.3116 9.12072 -0.533251 -42.9176 TIMING: 2288800 CPU: 6815.91, 0.00299626/step Wall: 6815.91, 0.00299626/step, 2.25652 hours remaining, 206.503906 MB of memory in use. ENERGY: 2288800 762.6126 2091.9403 1965.0030 120.0672 -206384.7834 17832.8008 0.0000 0.0000 34206.0066 -149406.3530 298.7296 -183612.3595 -149302.2727 299.1065 -59.1152 -22.3007 556939.2699 -0.3727 -0.4401 PRESSURE: 2289000 40.0705 -63.4962 -34.8284 -63.4968 -104.13 -80.7359 -34.829 -80.7367 -251.298 GPRESSURE: 2289000 71.7488 -19.9008 -38.9119 -5.84548 -57.0273 -117.371 -26.3217 -6.9354 -235.957 PRESSAVG: 2289000 68.5485 -35.1185 46.1953 -35.1185 -10.3012 -37.5399 46.1954 -37.5399 -5.97741 GPRESSAVG: 2289000 68.9786 -34.3112 45.9965 -35.052 -10.2497 -37.5537 45.7149 -36.0123 -6.47583 TIMING: 2289000 CPU: 6816.51, 0.00300481/step Wall: 6816.51, 0.00300481/step, 2.26279 hours remaining, 206.503906 MB of memory in use. ENERGY: 2289000 794.3000 2160.7525 1928.7229 109.9679 -206627.0215 17881.1070 0.0000 0.0000 34227.8020 -149524.3692 298.9199 -183752.1712 -149427.4936 298.8188 -105.1190 -73.7453 556776.0037 17.4233 17.4177 PRESSURE: 2289200 -99.5993 66.3311 -149.754 66.3319 64.8317 -111.423 -149.754 -111.422 111.598 GPRESSURE: 2289200 -34.2593 -10.9312 -174.025 128.301 91.9836 -132.53 -98.8111 -99.0847 96.4083 PRESSAVG: 2289200 25.3067 33.86 -15.3165 33.86 7.55062 -21.9847 -15.3164 -21.9848 -14.8059 GPRESSAVG: 2289200 23.6321 33.0315 -14.7871 34.6114 8.04273 -22.048 -15.7417 -22.5523 -13.7464 TIMING: 2289200 CPU: 6817.1, 0.00298409/step Wall: 6817.1, 0.00298409/step, 2.24702 hours remaining, 206.503906 MB of memory in use. ENERGY: 2289200 723.0074 2052.0771 1927.1938 119.9781 -206422.5291 17866.3435 0.0000 0.0000 34155.2136 -149578.7157 298.2860 -183733.9293 -149482.4863 298.7344 25.6102 51.3775 557746.8275 6.0171 5.9761 PRESSURE: 2289400 -128.468 -1.00242 -72.3112 -1.00094 52.6891 -168.352 -72.3098 -168.352 -27.8801 GPRESSURE: 2289400 -85.9734 -30.0997 -44.4468 74.4987 98.5673 -93.0102 -26.1636 -183.596 -23.9965 PRESSAVG: 2289400 9.64885 11.1452 -33.2223 11.1452 -13.2043 -25.5859 -33.2224 -25.5859 12.1611 GPRESSAVG: 2289400 11.1264 13.2529 -32.5266 10.4818 -13.4337 -27.329 -34.188 -25.8602 11.4528 TIMING: 2289400 CPU: 6817.7, 0.00299575/step Wall: 6817.7, 0.00299575/step, 2.25563 hours remaining, 206.503906 MB of memory in use. ENERGY: 2289400 738.5238 2061.3704 1935.0534 106.3571 -206294.4636 17598.4634 0.0000 0.0000 34288.8886 -149565.8069 299.4534 -183854.6955 -149460.2309 298.7266 -34.5530 -3.8009 555814.9891 2.8685 3.0485 PRESSURE: 2289600 207.398 148.983 -171.194 148.982 -81.2055 -123.842 -171.193 -123.841 263.25 GPRESSURE: 2289600 228.259 200.059 -175.253 156.969 -35.0841 -109.097 -180.686 -154.072 287.646 PRESSAVG: 2289600 -75.0403 41.428 -44.7116 41.428 37.6306 -60.2242 -44.7118 -60.2242 21.5739 GPRESSAVG: 2289600 -75.5884 40.0286 -46.9249 42.235 37.4329 -59.8866 -44.4306 -59.3088 22.0279 TIMING: 2289600 CPU: 6818.3, 0.00299267/step Wall: 6818.3, 0.00299267/step, 2.25315 hours remaining, 206.503906 MB of memory in use. ENERGY: 2289600 690.9783 2035.4563 1928.3822 103.3471 -206920.5076 17939.6633 0.0000 0.0000 34491.1100 -149731.5702 301.2194 -184222.6803 -149628.2984 298.0409 129.8142 160.2737 556272.1784 -5.2786 -5.3759 PRESSURE: 2289800 114.01 4.4768 44.3155 4.47609 -88.8306 23.5901 44.3148 23.5911 79.1942 GPRESSURE: 2289800 143.872 -3.3944 46.9365 43.1593 -74.4001 -10.3553 28.4147 55.8318 124.601 PRESSAVG: 2289800 -35.7798 5.12502 -19.7267 5.12506 3.69541 -14.822 -19.7267 -14.822 15.524 GPRESSAVG: 2289800 -36.1241 4.48288 -18.0141 3.01901 3.03896 -11.5185 -17.2683 -16.0732 16.0897 TIMING: 2289800 CPU: 6818.9, 0.00301698/step Wall: 6818.9, 0.00301698/step, 2.27128 hours remaining, 206.503906 MB of memory in use. ENERGY: 2289800 694.5257 2089.3401 1922.8322 111.3988 -206351.2392 17758.8444 0.0000 0.0000 33992.4125 -149781.8855 296.8642 -183774.2981 -149687.1359 297.8638 34.7913 64.6910 557305.5689 -5.5201 -5.6651 PRESSURE: 2290000 51.0149 -61.2619 -63.1536 -61.2616 379.219 -63.1708 -63.1542 -63.1719 294.401 GPRESSURE: 2290000 56.3395 -109.865 -116.343 -29.7412 431.597 25.2318 -74.5203 -106.679 337.829 PRESSAVG: 2290000 15.8628 -46.7246 25.0801 -46.7248 -28.1895 -43.8935 25.0802 -43.8934 28.8567 GPRESSAVG: 2290000 16.6517 -44.5389 24.5986 -47.1929 -28.1956 -45.126 25.512 -42.984 28.3065 TIMING: 2290000 CPU: 6819.51, 0.00301117/step Wall: 6819.51, 0.00301117/step, 2.26674 hours remaining, 206.503906 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: 2290000 724.2041 2056.6791 1932.9215 115.3451 -206745.5311 18238.5002 0.0000 0.0000 33950.4893 -149727.3918 296.4981 -183677.8811 -149631.2460 297.6684 241.5450 275.2553 556746.0089 5.5100 5.5876 PRESSURE: 2290200 -49.8519 99.6852 -92.2235 99.6857 88.526 -52.1951 -92.2232 -52.197 -32.749 GPRESSURE: 2290200 28.6543 254.328 7.71625 22.3746 152.072 -89.959 -245.021 -27.0084 -77.1698 PRESSAVG: 2290200 -5.37082 -20.9532 -20.0748 -20.9531 57.2118 23.5875 -20.0748 23.5875 -53.6946 GPRESSAVG: 2290200 -4.06113 -21.5057 -20.5456 -19.4167 57.4552 21.9458 -19.883 26.1144 -55.113 TIMING: 2290200 CPU: 6820.11, 0.00299489/step Wall: 6820.11, 0.00299488/step, 2.25432 hours remaining, 206.503906 MB of memory in use. ENERGY: 2290200 725.7040 2098.7298 1934.0674 115.0780 -206448.0482 17997.3482 0.0000 0.0000 34028.7896 -149548.3311 297.1819 -183577.1208 -149454.1703 297.7845 1.9750 34.5187 556797.4444 -0.6179 -0.5730 PRESSURE: 2290400 317.339 -247.666 97.8509 -247.665 -60.2477 -109.996 97.8512 -109.997 110.191 GPRESSURE: 2290400 348.824 -254.832 143.616 -124.865 -23.3173 -94.9934 147.805 -124.517 141.105 PRESSAVG: 2290400 27.0437 13.0552 17.0617 13.0552 90.2623 4.32977 17.0617 4.32975 -127.816 GPRESSAVG: 2290400 25.9113 12.0012 17.1101 12.2669 91.6776 6.0978 15.9766 5.25629 -127.879 TIMING: 2290400 CPU: 6820.7, 0.00298918/step Wall: 6820.7, 0.00298918/step, 2.24986 hours remaining, 206.503906 MB of memory in use. ENERGY: 2290400 719.8353 2048.0418 1952.5654 132.7707 -206617.4801 18099.7384 0.0000 0.0000 34295.5138 -149369.0147 299.5113 -183664.5285 -149272.4507 298.2639 122.4276 155.5372 557354.3380 -3.5032 -3.4302 PRESSURE: 2290600 -52.1838 120.577 120.317 120.578 -69.041 -36.8819 120.317 -36.8825 -191.069 GPRESSURE: 2290600 25.7216 168.497 111.377 68.3969 -51.7959 41.8792 43.6824 -115.191 -180.648 PRESSAVG: 2290600 -33.6225 20.8379 14.7852 20.838 -9.99111 -45.0458 14.7852 -45.0458 42.1625 GPRESSAVG: 2290600 -33.2651 20.1608 18.2157 20.1886 -11.413 -45.9845 11.3216 -46.7867 43.2441 TIMING: 2290600 CPU: 6821.3, 0.0029809/step Wall: 6821.3, 0.0029809/step, 2.24346 hours remaining, 206.503906 MB of memory in use. ENERGY: 2290600 765.3375 2078.6410 1947.8208 122.9299 -206039.9592 17601.4969 0.0000 0.0000 34091.4774 -149432.2556 297.7294 -183523.7331 -149335.7847 298.7222 -104.0979 -68.9076 558884.6131 -0.4837 -0.4780 PRESSURE: 2290800 -142.708 -118.377 -94.3723 -118.374 176.393 51.74 -94.3727 51.7409 13.8588 GPRESSURE: 2290800 -85.3039 -152.03 -75.5121 -105.012 197.688 9.6792 -32.2656 17.5498 31.8083 PRESSAVG: 2290800 47.4679 20.7411 -3.50728 20.7411 54.4926 -26.4435 -3.50741 -26.4435 -49.4655 GPRESSAVG: 2290800 46.7457 19.7911 -5.20131 22.5256 54.0258 -27.0589 -1.54635 -26.8629 -48.5132 TIMING: 2290800 CPU: 6821.9, 0.00300681/step Wall: 6821.9, 0.00300681/step, 2.26279 hours remaining, 206.503906 MB of memory in use. ENERGY: 2290800 774.5984 2069.9555 1969.4266 130.6922 -206567.8628 18056.8624 0.0000 0.0000 34344.3600 -149221.9677 299.9378 -183566.3277 -149116.1334 299.5311 15.8481 48.0642 557567.4082 17.4983 17.4194 PRESSURE: 2291000 150.818 37.5988 -125.995 37.5984 134.022 54.2575 -125.994 54.2571 75.2362 GPRESSURE: 2291000 153.905 61.6141 -42.9371 27.8771 116.743 -8.67878 -137.368 90.393 172.359 PRESSAVG: 2291000 2.45263 62.2137 -36.2749 62.2136 20.5613 -7.87896 -36.275 -7.87886 -19.7685 GPRESSAVG: 2291000 2.49702 62.5778 -36.7712 60.5844 20.3116 -8.63969 -35.205 -6.89494 -19.6493 TIMING: 2291000 CPU: 6822.5, 0.00300707/step Wall: 6822.5, 0.00300707/step, 2.26282 hours remaining, 206.503906 MB of memory in use. ENERGY: 2291000 747.3285 2108.0431 1921.4514 128.1465 -206398.2152 17960.2028 0.0000 0.0000 34263.6961 -149269.3467 299.2334 -183533.0428 -149178.6491 299.3618 120.0256 147.6687 556479.0220 1.0818 1.0531 PRESSURE: 2291200 -291.613 -60.1097 161.645 -60.1101 -69.0112 43.0849 161.644 43.0832 -82.2627 GPRESSURE: 2291200 -196.834 -67.8719 23.8876 -57.5505 -80.0394 52.5754 227.835 -65.2911 -56.638 PRESSAVG: 2291200 -65.6039 11.2036 -10.2917 11.2035 40.217 6.11435 -10.2918 6.11434 -11.3681 GPRESSAVG: 2291200 -64.6579 12.8398 -11.1526 11.9 41.1502 7.70188 -10.8164 5.25245 -13.3188 TIMING: 2291200 CPU: 6823.1, 0.00301243/step Wall: 6823.1, 0.00301243/step, 2.26668 hours remaining, 206.503906 MB of memory in use. ENERGY: 2291200 767.6002 2124.1368 1951.9736 108.0321 -205861.7764 17657.1969 0.0000 0.0000 34090.4155 -149162.4213 297.7201 -183252.8368 -149062.6226 299.3175 -147.6289 -111.1704 559446.0360 -12.2517 -12.2755 PRESSURE: 2291400 -141.66 45.1037 17.5674 45.1026 14.4726 -20.0536 17.5671 -20.0537 -98.1203 GPRESSURE: 2291400 -88.9874 148.395 7.08877 -78.6788 50.2528 -45.4062 -19.7041 -25.8102 -90.2188 PRESSAVG: 2291400 -10.225 -2.01459 -34.0647 -2.01455 15.0241 -55.4806 -34.0647 -55.4807 -3.04324 GPRESSAVG: 2291400 -11.0129 -0.744305 -32.8234 -2.99847 14.4526 -54.9103 -35.9469 -54.1178 -1.52634 TIMING: 2291400 CPU: 6823.71, 0.00301428/step Wall: 6823.71, 0.00301428/step, 2.26791 hours remaining, 206.503906 MB of memory in use. ENERGY: 2291400 771.5899 2139.9197 1967.4895 122.3219 -206358.8725 17897.5701 0.0000 0.0000 34140.4617 -149319.5197 298.1571 -183459.9814 -149225.2993 298.8122 -75.1025 -42.9844 558846.3110 0.5853 0.6378 PRESSURE: 2291600 212.129 -93.7099 -30.076 -93.7099 14.2913 -135.815 -30.0755 -135.816 -139.646 GPRESSURE: 2291600 262.694 -131.222 -61.9941 -14.06 -0.957703 -138.548 62.8893 -61.547 -82.9074 PRESSAVG: 2291600 1.26097 -33.8249 -12.3387 -33.8249 -9.39633 -7.17413 -12.3388 -7.17423 -9.4981 GPRESSAVG: 2291600 1.83476 -35.1256 -12.708 -32.2659 -8.9356 -7.24783 -11.8224 -7.33491 -10.9306 TIMING: 2291600 CPU: 6824.31, 0.00300354/step Wall: 6824.31, 0.00300354/step, 2.25966 hours remaining, 206.503906 MB of memory in use. ENERGY: 2291600 738.7746 2119.6221 1953.0079 114.9958 -206418.0037 17985.3408 0.0000 0.0000 34208.9177 -149297.3448 298.7550 -183506.2625 -149199.5091 298.8477 28.9245 59.6096 559135.9830 -5.8778 -6.0105 PRESSURE: 2291800 112.619 -113.328 -48.0121 -113.328 213.159 17.2569 -48.0107 17.257 -207.44 GPRESSURE: 2291800 122.61 -101.171 -19.3884 -155.641 211.038 -6.61194 -118.835 -42.9082 -124.065 PRESSAVG: 2291800 78.5119 16.8002 -13.0278 16.8002 36.9459 23.4684 -13.0278 23.4684 -114.012 GPRESSAVG: 2291800 77.7516 18.0152 -13.7714 15.3664 36.3373 22.4193 -12.421 24.3827 -113.211 TIMING: 2291800 CPU: 6824.9, 0.00296817/step Wall: 6824.9, 0.00296817/step, 2.23289 hours remaining, 206.503906 MB of memory in use. ENERGY: 2291800 744.5161 2140.2050 1962.5110 115.7106 -206382.7592 18024.3918 0.0000 0.0000 34230.2143 -149165.2103 298.9410 -183395.4246 -149072.6728 299.1858 39.4461 69.8612 558317.5131 0.4819 0.2927 PRESSURE: 2292000 119.93 -56.7769 -2.74028 -56.7764 57.1858 -120.52 -2.74052 -120.522 232.198 GPRESSURE: 2292000 211.716 -110.774 69.7913 11.0942 43.4316 -152.14 -56.032 -85.517 237.594 PRESSAVG: 2292000 20.6127 4.78714 -64.4939 4.78702 61.833 -20.0996 -64.4939 -20.0996 -16.7731 GPRESSAVG: 2292000 20.5491 4.3479 -63.7216 5.51919 60.6468 -21.6343 -63.5607 -20.382 -15.5004 TIMING: 2292000 CPU: 6825.5, 0.00299168/step Wall: 6825.5, 0.00299168/step, 2.25041 hours remaining, 206.503906 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: 2292000 733.8714 2108.4682 1943.3208 116.6901 -206286.4480 17993.9465 0.0000 0.0000 34274.9457 -149115.2053 299.3316 -183390.1510 -149016.0916 299.6951 136.4377 164.2473 557512.8476 21.8908 21.8985 PRESSURE: 2292200 67.18 94.4971 46.1483 94.499 -222.108 97.7008 46.1485 97.702 246.202 GPRESSURE: 2292200 109.044 121.318 20.0657 61.5067 -169.998 22.3116 25.3485 85.4475 235.755 PRESSAVG: 2292200 31.1327 -17.3192 -34.1056 -17.3192 11.3911 23.2798 -34.1055 23.2798 -13.9746 GPRESSAVG: 2292200 31.9038 -18.4447 -33.9391 -16.0621 11.3385 25.4955 -35.9202 22.7898 -14.4887 TIMING: 2292200 CPU: 6826.09, 0.00295167/step Wall: 6826.09, 0.00295167/step, 2.22015 hours remaining, 206.503906 MB of memory in use. ENERGY: 2292200 735.1362 2045.7844 1943.9191 108.3469 -206076.3795 17753.5170 0.0000 0.0000 34272.4351 -149217.2408 299.3097 -183489.6759 -149125.6579 299.3132 30.4248 58.2669 557692.6905 9.5164 9.5845 LDB: ============= START OF LOAD BALANCING ============== 6829.52 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 6829.52 LDB: =============== DONE WITH MIGRATION ================ 6829.52 LDB: ============= START OF LOAD BALANCING ============== 6829.82 LDB: Largest compute 4849 load 0.026975 is 22.9% of average load 0.118041 LDB: Average compute 0.001718 is 1.5% of average load 0.118041 LDB: TIME 6829.82 LOAD: AVG 0.118041 MAX 0.202533 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 6829.82 LOAD: AVG 0.118041 MAX 0.202533 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.02 MB LDB: TIME 6829.82 LOAD: AVG 0.118041 MAX 0.202533 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.02 MB LDB: ============== END OF LOAD BALANCING =============== 6829.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6829.83 PRESSURE: 2292400 197.286 69.8516 65.566 69.8511 -35.9988 -207.843 65.5653 -207.843 278.048 GPRESSURE: 2292400 251.178 -45.8082 149.793 144.874 -18.7043 -176.143 32.6629 -247.712 304.041 PRESSAVG: 2292400 -13.661 37.6349 30.5519 37.6348 -30.363 54.5071 30.5519 54.5072 33.928 GPRESSAVG: 2292400 -13.9811 39.1855 31.0377 36.7197 -28.8781 55.2604 30.255 53.8628 33.186 TIMING: 2292400 CPU: 6826.7, 0.00304215/step Wall: 6826.7, 0.00304215/step, 2.28803 hours remaining, 208.804688 MB of memory in use. ENERGY: 2292400 719.8416 2034.1203 1944.5389 108.4478 -206205.9642 17866.2660 0.0000 0.0000 34206.5457 -149326.2040 298.7343 -183532.7497 -149230.8881 298.6455 146.4453 178.8383 555309.2045 -3.3654 -3.2244 PRESSURE: 2292600 14.1544 56.4705 -6.75699 56.4689 130.64 123.827 -6.75825 123.828 -191.067 GPRESSURE: 2292600 -4.46156 56.4522 27.0029 31.5662 166.181 206.704 -98.5788 56.7362 -106.477 PRESSAVG: 2292600 81.1555 8.83939 -12.2939 8.83932 18.233 -30.8184 -12.2939 -30.8185 -86.5185 GPRESSAVG: 2292600 80.698 7.5674 -13.2483 10.1487 18.1576 -33.2445 -12.6574 -27.8253 -85.8369 TIMING: 2292600 CPU: 6827.3, 0.00299088/step Wall: 6827.3, 0.00299088/step, 2.24931 hours remaining, 209.007812 MB of memory in use. ENERGY: 2292600 732.6980 2083.7595 1947.7684 110.9327 -206169.9035 17747.2009 0.0000 0.0000 34290.0032 -149257.5408 299.4631 -183547.5440 -149162.1112 299.0689 -15.4242 18.4144 557288.6620 4.2900 4.3396 PRESSURE: 2292800 -366.399 53.5866 120.855 53.586 54.2806 -27.7494 120.855 -27.7493 -239.39 GPRESSURE: 2292800 -353.751 84.5808 131.16 34.121 110.418 -14.2887 5.39016 31.9743 -222.908 PRESSAVG: 2292800 -37.6438 23.8195 -27.8479 23.8195 7.72875 41.8554 -27.848 41.8554 20.6545 GPRESSAVG: 2292800 -36.4589 24.781 -27.4289 22.4568 6.36971 43.9103 -26.3708 38.7417 20.8664 TIMING: 2292800 CPU: 6827.9, 0.00300271/step Wall: 6827.9, 0.00300271/step, 2.25803 hours remaining, 209.007812 MB of memory in use. ENERGY: 2292800 755.8914 2071.0392 1947.1296 114.7310 -206054.0924 17587.3110 0.0000 0.0000 34310.7534 -149267.2367 299.6443 -183577.9901 -149176.8324 299.0637 -183.8359 -155.4138 556691.8913 -3.0868 -3.0742 PRESSURE: 2293000 404.402 20.6349 -132.543 20.637 -54.1851 30.9999 -132.543 30.9982 -164.341 GPRESSURE: 2293000 421.249 -18.7382 -121.252 3.80057 -44.2485 -48.7742 -160.001 42.3348 -97.206 PRESSAVG: 2293000 48.3574 7.28303 32.9405 7.28298 8.83283 -25.2228 32.9405 -25.2227 -56.4717 GPRESSAVG: 2293000 47.608 7.4706 32.5503 6.93786 9.76526 -26.6745 32.396 -23.4244 -56.169 TIMING: 2293000 CPU: 6828.49, 0.00297319/step Wall: 6828.49, 0.00297319/step, 2.23567 hours remaining, 209.007812 MB of memory in use. ENERGY: 2293000 733.9603 2111.0499 1924.6073 104.2817 -206114.3404 17840.1391 0.0000 0.0000 34254.0714 -149146.2307 299.1493 -183400.3021 -149054.9670 299.0420 61.9589 93.2650 557548.5975 0.2395 0.4014 PRESSURE: 2293200 -96.07 114.525 135.201 114.526 -55.501 101.428 135.201 101.428 141.799 GPRESSURE: 2293200 -8.2023 146.862 107.105 111.193 -47.1235 73.6274 79.1107 129.342 158.692 PRESSAVG: 2293200 -39.447 -2.83207 42.5096 -2.8321 -15.7673 42.9412 42.5097 42.9411 58.7828 GPRESSAVG: 2293200 -39.5413 -5.60303 41.1434 -0.831761 -15.0096 45.1096 44.5715 41.356 58.6417 TIMING: 2293200 CPU: 6829.09, 0.00299294/step Wall: 6829.09, 0.00299294/step, 2.25036 hours remaining, 209.007812 MB of memory in use. ENERGY: 2293200 700.6192 2098.3696 1952.0702 106.4680 -206008.0935 17829.6621 0.0000 0.0000 34264.1557 -149056.7487 299.2374 -183320.9044 -148968.1095 299.4693 -3.2573 34.4553 558710.1313 1.1895 1.3636 PRESSURE: 2293400 -292.631 -28.1817 -99.2709 -28.181 -249.6 31.937 -99.2706 31.9363 -24.025 GPRESSURE: 2293400 -253.862 -43.8822 -129.552 29.7819 -193.554 21.4362 -89.2612 4.98828 -38.0063 PRESSAVG: 2293400 -25.7257 34.2185 -15.1715 34.2187 -14.456 51.072 -15.1715 51.0719 28.6522 GPRESSAVG: 2293400 -24.8368 33.7088 -13.8253 34.6663 -14.6887 50.8829 -15.6002 52.1063 27.5179 TIMING: 2293400 CPU: 6829.69, 0.0030043/step Wall: 6829.69, 0.0030043/step, 2.25873 hours remaining, 209.007812 MB of memory in use. ENERGY: 2293400 735.2348 2115.9528 1970.7977 127.7137 -206084.1795 17756.6395 0.0000 0.0000 34283.4091 -149094.4318 299.4055 -183377.8409 -148998.7315 299.8522 -188.7520 -161.8073 559176.9156 -3.8432 -4.0025 PRESSURE: 2293600 -280.313 72.6753 -4.37579 72.6749 -68.9028 -17.8225 -4.37642 -17.8233 -49.2423 GPRESSURE: 2293600 -218.56 1.39236 123.586 197.884 -46.0444 -108.742 -36.0006 82.9551 -24.2346 PRESSAVG: 2293600 -13.1129 32.3798 -36.9837 32.3798 23.8777 33.3091 -36.9837 33.3091 -29.5721 GPRESSAVG: 2293600 -12.9277 34.5622 -35.769 30.6698 23.9318 32.7886 -36.6567 31.3073 -29.687 TIMING: 2293600 CPU: 6830.29, 0.00301522/step Wall: 6830.29, 0.00301522/step, 2.26677 hours remaining, 209.007812 MB of memory in use. ENERGY: 2293600 739.4850 2078.0883 1938.5446 110.1887 -205948.5462 17590.9802 0.0000 0.0000 34503.8926 -148987.3667 301.3311 -183491.2593 -148890.2297 300.3117 -132.8194 -96.2795 558107.8741 -6.2691 -6.2276 PRESSURE: 2293800 -182.824 223.229 65.0632 223.23 -134.347 -108.219 65.0641 -108.22 1.54241 GPRESSURE: 2293800 -165.475 160.766 -3.14555 201.65 -128.708 -151.906 106.044 -39.0107 80.0655 PRESSAVG: 2293800 15.6438 16.5616 -39.2403 16.5618 39.6695 -13.8465 -39.2403 -13.8465 -33.1007 GPRESSAVG: 2293800 14.7283 17.3746 -39.1811 16.3194 39.2712 -13.8678 -40.6034 -13.3406 -31.9186 TIMING: 2293800 CPU: 6830.89, 0.00299195/step Wall: 6830.89, 0.00299195/step, 2.24912 hours remaining, 209.007812 MB of memory in use. ENERGY: 2293800 719.4240 2060.2578 1962.8300 110.0805 -205932.2568 17574.8229 0.0000 0.0000 34315.6453 -149189.1962 299.6871 -183504.8416 -149088.3943 300.2463 -105.2095 -71.3724 558445.7309 7.4042 7.3603 PRESSURE: 2294000 -34.5493 103.477 47.8652 103.477 87.5457 218.61 47.864 218.611 -1.25095 GPRESSURE: 2294000 -15.3366 102.65 27.4388 53.1166 108.701 274.544 47.1764 91.3049 53.4731 PRESSAVG: 2294000 20.0453 58.3471 20.0663 58.3472 -60.5417 2.21395 20.0663 2.21396 14.8293 GPRESSAVG: 2294000 21.5539 57.8647 20.7039 59.205 -62.3085 1.18013 20.7526 4.58331 14.3718 TIMING: 2294000 CPU: 6831.49, 0.00300709/step Wall: 6831.49, 0.00300709/step, 2.26033 hours remaining, 209.007812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 2294000 717.5280 2088.0933 1938.6326 118.5761 -206217.4395 17737.8736 0.0000 0.0000 34270.3772 -149346.3587 299.2917 -183616.7358 -149244.8709 299.5924 17.2485 48.9460 557429.2224 -8.5557 -8.7943 PRESSURE: 2294200 125.366 -53.9245 -119.455 -53.9232 159.258 10.4906 -119.455 10.4919 73.5272 GPRESSURE: 2294200 190.614 -5.39936 -59.7526 -143.2 181 60.7995 -131.595 6.09744 94.8745 PRESSAVG: 2294200 -74.726 -14.925 18.2397 -14.925 27.1477 43.2957 18.2397 43.2957 55.2875 GPRESSAVG: 2294200 -76.6842 -18.0979 18.4982 -15.3565 29.5425 41.144 17.5213 44.2444 54.7286 TIMING: 2294200 CPU: 6832.09, 0.00300229/step Wall: 6832.09, 0.00300229/step, 2.25656 hours remaining, 209.007812 MB of memory in use. ENERGY: 2294200 747.3895 2089.0986 1967.4361 115.7395 -206279.1377 17993.0230 0.0000 0.0000 34015.7637 -149350.6873 297.0681 -183366.4510 -149252.1929 298.8643 119.3838 155.4963 556513.7925 2.5697 2.5290 PRESSURE: 2294400 -251.425 -115.273 0.664674 -115.275 -156.727 159.89 0.664326 159.89 -115.678 GPRESSURE: 2294400 -203.612 -137.012 28.9054 -25.5164 -88.3669 115.145 -46.4222 97.2937 -128.799 PRESSAVG: 2294400 12.1815 -3.37546 -45.9269 -3.37564 52.9997 -25.3194 -45.9269 -25.3194 -61.7461 GPRESSAVG: 2294400 12.4767 -1.7504 -45.227 -3.19025 52.624 -25.6209 -47.4355 -26.8574 -62.1918 TIMING: 2294400 CPU: 6832.7, 0.00300709/step Wall: 6832.7, 0.00300709/step, 2.26 hours remaining, 209.007812 MB of memory in use. ENERGY: 2294400 767.0369 2102.9322 1961.5076 108.2937 -205931.7027 17581.4889 0.0000 0.0000 34018.4293 -149392.0143 297.0914 -183410.4435 -149296.7648 298.9684 -174.6099 -140.2594 557589.9788 1.1450 0.9696 PRESSURE: 2294600 136.552 98.9994 15.0726 98.9987 -107.298 -76.7416 15.0718 -76.7432 -23.9799 GPRESSURE: 2294600 165.356 63.6167 61.7931 104.514 -87.0677 -56.7431 62.3759 -115.139 22.4327 PRESSAVG: 2294600 51.0212 -8.65723 -36.2721 -8.6573 28.7461 49.3731 -36.272 49.3731 6.27693 GPRESSAVG: 2294600 51.6283 -6.28222 -39.9382 -8.86182 29.3605 51.1503 -34.097 49.1101 5.28921 TIMING: 2294600 CPU: 6833.3, 0.0030035/step Wall: 6833.3, 0.0030035/step, 2.25713 hours remaining, 209.007812 MB of memory in use. ENERGY: 2294600 766.2323 2090.0531 1961.1872 122.1940 -206257.9835 17661.1890 0.0000 0.0000 34099.8699 -149557.2581 297.8026 -183657.1279 -149468.6977 298.4236 1.7581 33.5736 556641.0053 28.6814 28.7593 PRESSURE: 2294800 -115.758 -21.2833 -125.383 -21.2839 -100.201 71.5074 -125.382 71.5085 -247.612 GPRESSURE: 2294800 -75.3844 12.4372 -99.217 8.1141 -72.3354 128.098 -133.818 65.3936 -222.962 PRESSAVG: 2294800 29.0846 26.2699 16.9292 26.27 -23.7606 -17.9059 16.9292 -17.9059 -5.28632 GPRESSAVG: 2294800 28.2127 24.5776 18.8197 26.0271 -24.0848 -18.0878 18.2598 -17.4715 -3.5015 TIMING: 2294800 CPU: 6833.9, 0.00300861/step Wall: 6833.9, 0.00300861/step, 2.2608 hours remaining, 209.007812 MB of memory in use. ENERGY: 2294800 775.9492 2046.4443 1950.0244 109.9440 -206185.2237 17538.5334 0.0000 0.0000 34126.4408 -149637.8876 298.0347 -183764.3284 -149533.0021 298.5140 -154.5237 -123.5606 555957.4690 0.0125 0.2088 PRESSURE: 2295000 168.687 40.6725 -35.0815 40.6725 77.0453 96.3978 -35.0811 96.3991 116.994 GPRESSURE: 2295000 170.035 66.4084 -77.0022 40.6089 125.743 81.4722 -40.5983 209.379 161.849 PRESSAVG: 2295000 -33.3545 -33.5012 -50.8718 -33.5012 26.742 0.955708 -50.8719 0.955871 22.6041 GPRESSAVG: 2295000 -32.7804 -34.3806 -51.9643 -33.4149 26.4806 0.680093 -52.4483 0.66128 22.4444 TIMING: 2295000 CPU: 6834.5, 0.00299646/step Wall: 6834.5, 0.00299646/step, 2.25151 hours remaining, 209.007812 MB of memory in use. ENERGY: 2295000 716.7241 2081.3554 1967.9793 108.0164 -206740.0947 17957.3088 0.0000 0.0000 34137.2740 -149771.4366 298.1293 -183908.7107 -149675.7356 297.5642 120.9088 152.5422 555041.8682 5.3305 5.3816 PRESSURE: 2295200 188.202 6.17172 68.594 6.1732 -113.32 -19.6779 68.5943 -19.6776 99.445 GPRESSURE: 2295200 260.493 -37.52 35.3242 27.7342 -67.5015 15.5518 125.498 19.5033 81.1759 PRESSAVG: 2295200 -27.5553 -22.5449 3.75504 -22.545 -19.851 19.2723 3.75508 19.2721 42.7766 GPRESSAVG: 2295200 -26.9073 -20.8466 4.58696 -23.1714 -19.5263 18.9531 3.89804 21.411 42.0188 TIMING: 2295200 CPU: 6835.1, 0.00299642/step Wall: 6835.1, 0.00299642/step, 2.25131 hours remaining, 209.007812 MB of memory in use. ENERGY: 2295200 757.8038 2047.3441 1945.2864 124.1223 -206615.8349 17792.3657 0.0000 0.0000 34209.9868 -149738.9258 298.7643 -183948.9126 -149635.6195 298.1506 58.1090 91.3892 555051.6464 -1.5432 -1.4716 PRESSURE: 2295400 3.77522 -75.5755 -189.279 -75.575 -43.9224 153.409 -189.28 153.409 -270.312 GPRESSURE: 2295400 68.0927 -80.0307 -228.687 -107.791 -20.4365 212.084 -156.616 83.0131 -259.536 PRESSAVG: 2295400 25.2115 -28.4007 24.7198 -28.4006 14.7104 -11.9347 24.7199 -11.9346 -17.0513 GPRESSAVG: 2295400 24.3191 -29.3629 24.0586 -27.8281 15.4076 -10.4156 25.3923 -13.8806 -16.8998 TIMING: 2295400 CPU: 6835.69, 0.00296504/step Wall: 6835.69, 0.00296504/step, 2.22757 hours remaining, 209.007812 MB of memory in use. ENERGY: 2295400 757.8218 2049.7117 1934.5171 93.9284 -206111.0848 17635.0245 0.0000 0.0000 33995.2504 -149644.8308 296.8890 -183640.0812 -149546.1621 298.2893 -103.4865 -70.6264 555595.5237 7.6235 7.6090 PRESSURE: 2295600 17.0348 -47.0377 -30.2981 -47.0377 -26.7694 -56.3432 -30.2968 -56.3419 127.44 GPRESSURE: 2295600 101.148 -10.5512 4.36939 -159.111 30.7829 -32.4854 -119.743 -97.6151 88.7465 PRESSAVG: 2295600 -6.45426 25.4036 -8.29796 25.4035 -24.345 47.8477 -8.29795 47.8477 11.5904 GPRESSAVG: 2295600 -5.5192 24.6389 -7.51993 26.7123 -25.7607 48.1074 -8.52194 47.2402 11.8589 TIMING: 2295600 CPU: 6836.28, 0.00295689/step Wall: 6836.28, 0.00295689/step, 2.22128 hours remaining, 209.007812 MB of memory in use. ENERGY: 2295600 728.8674 2068.4888 1950.3533 110.5174 -206530.7800 17816.6610 0.0000 0.0000 34294.0439 -149561.8482 299.4984 -183855.8921 -149469.7370 298.4695 39.2350 73.5591 555818.9219 -6.4029 -6.4737 PRESSURE: 2295800 -5.77844 -48.1897 31.6908 -48.1908 -142.463 -10.1311 31.6914 -10.1305 -143.023 GPRESSURE: 2295800 54.9626 -90.1514 57.0051 -22.6972 -170.879 83.8312 3.1763 -14.2365 -65.6533 PRESSAVG: 2295800 89.9279 0.289338 50.734 0.289344 -49.8371 -19.8147 50.734 -19.8146 -19.2383 GPRESSAVG: 2295800 89.5816 1.73866 49.2702 -1.5512 -49.2587 -21.0728 51.1036 -18.5835 -19.5438 TIMING: 2295800 CPU: 6836.88, 0.00296732/step Wall: 6836.88, 0.00296732/step, 2.22895 hours remaining, 209.007812 MB of memory in use. ENERGY: 2295800 748.0019 2081.3667 1955.6143 104.5602 -206212.9685 17647.3844 0.0000 0.0000 34110.9073 -149565.1338 297.8990 -183676.0410 -149469.1494 298.0341 -97.0881 -60.5233 557551.8018 6.9508 6.9264 PRESSURE: 2296000 84.3777 -26.6884 87.2911 -26.6896 -307.702 94.5432 87.2912 94.5437 3.73537 GPRESSURE: 2296000 76.5163 -41.5459 78.847 -31.4704 -208.39 149.244 74.8085 108.261 0.146499 PRESSAVG: 2296000 65.9504 19.3471 -8.27538 19.3471 -5.54858 -0.428685 -8.27534 -0.428826 -32.1688 GPRESSAVG: 2296000 65.4782 19.0935 -8.47565 19.1947 -5.96382 1.29703 -8.29163 -3.59946 -31.5744 TIMING: 2296000 CPU: 6837.47, 0.00295369/step Wall: 6837.47, 0.00295369/step, 2.21855 hours remaining, 209.007812 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: 2296000 744.9115 2051.4641 1952.6102 113.6154 -206126.2989 17698.7542 0.0000 0.0000 34043.0557 -149521.8879 297.3065 -183564.9436 -149429.3011 298.0037 -73.1963 -43.9092 557587.7322 9.4110 9.3133 PRESSURE: 2296200 74.5965 -98.1345 39.2486 -98.1345 -46.3385 -87.3547 39.2481 -87.354 -265.919 GPRESSURE: 2296200 64.7338 -69.1336 -14.4892 -128.358 67.9439 -183.918 27.3526 -92.8846 -256.061 PRESSAVG: 2296200 44.7671 -22.8505 26.9613 -22.8504 -37.2389 15.82 26.9612 15.8201 -14.7238 GPRESSAVG: 2296200 46.4612 -22.2799 28.0751 -22.8178 -38.7688 13.5763 27.5641 18.2585 -14.4577 TIMING: 2296200 CPU: 6838.06, 0.00296561/step Wall: 6838.06, 0.00296561/step, 2.22734 hours remaining, 209.007812 MB of memory in use. ENERGY: 2296200 725.6337 2050.9376 1935.5272 111.3743 -206197.0483 17817.5677 0.0000 0.0000 33990.6411 -149565.3667 296.8487 -183556.0078 -149462.6679 298.8030 -79.2203 -41.1279 559080.3251 -2.3985 -2.2551 LDB: ============= START OF LOAD BALANCING ============== 6841.49 LDB: ============== END OF LOAD BALANCING =============== 6841.49 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6841.49 LDB: ============= START OF LOAD BALANCING ============== 6841.79 LDB: Largest compute 4849 load 0.027505 is 23.3% of average load 0.118017 LDB: Average compute 0.001724 is 1.5% of average load 0.118017 LDB: TIME 6841.79 LOAD: AVG 0.118017 MAX 0.20384 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.555 MB LDB: TIME 6841.79 LOAD: AVG 0.118017 MAX 0.20384 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.617 MB LDB: TIME 6841.79 LOAD: AVG 0.118017 MAX 0.20384 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6841.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6841.8 PRESSURE: 2296400 -142.856 193.518 -72.7122 193.518 -88.7808 75.7723 -72.7133 75.772 -277.978 GPRESSURE: 2296400 -72.4057 251.632 -110.988 220.079 -151.565 52.373 -54.1956 47.9931 -182.095 PRESSAVG: 2296400 22.4046 -27.6453 28.9647 -27.6452 -45.1998 -35.1986 28.9647 -35.1986 40.2871 GPRESSAVG: 2296400 22.0734 -29.1325 29.4257 -28.0222 -44.4898 -34.7075 28.2815 -36.2873 39.5627 TIMING: 2296400 CPU: 6838.67, 0.00305805/step Wall: 6838.67, 0.00305805/step, 2.2966 hours remaining, 205.226562 MB of memory in use. ENERGY: 2296400 765.0339 2080.5302 1954.0764 104.6051 -206134.8794 17789.7672 0.0000 0.0000 34192.2959 -149248.5706 298.6098 -183440.8665 -149145.5957 298.2791 -169.8717 -135.3552 558756.0267 5.8307 5.7155 PRESSURE: 2296600 179.799 -72.6318 -134.214 -72.6327 -170.151 -11.5262 -134.213 -11.5251 330.198 GPRESSURE: 2296600 221.591 -19.5683 -183.101 -47.9289 -102.91 -23.5483 -208.275 28.5221 308.084 PRESSAVG: 2296600 39.646 -25.0298 -2.72871 -25.0299 -3.62137 -9.69917 -2.72866 -9.69919 -22.8629 GPRESSAVG: 2296600 40.1063 -24.8296 -2.12024 -24.1147 -4.18257 -9.64809 -2.36756 -11.6312 -22.5679 TIMING: 2296600 CPU: 6839.27, 0.00298554/step Wall: 6839.27, 0.00298554/step, 2.24198 hours remaining, 205.425781 MB of memory in use. ENERGY: 2296600 780.2618 2085.1697 1941.3075 130.8762 -206494.9187 17949.2495 0.0000 0.0000 34248.1157 -149359.9383 299.0973 -183608.0540 -149263.8855 299.0682 113.2819 142.2552 557064.1750 4.3872 4.4519 PRESSURE: 2296800 128.385 37.4398 63.3619 37.4383 211.649 -13.455 63.3619 -13.4542 -260.567 GPRESSURE: 2296800 158.927 52.2622 169.602 -13.5366 172.952 22.7513 -52.0044 -5.99498 -157.105 PRESSAVG: 2296800 47.9902 -56.821 30.7012 -56.8209 -38.7348 -20.212 30.7013 -20.2121 28.0667 GPRESSAVG: 2296800 47.4943 -56.3776 31.5651 -58.946 -38.286 -17.8724 30.1037 -18.4945 27.4162 TIMING: 2296800 CPU: 6839.86, 0.00297352/step Wall: 6839.86, 0.00297352/step, 2.23278 hours remaining, 205.425781 MB of memory in use. ENERGY: 2296800 738.1465 2128.4885 1966.4929 107.3644 -206580.7217 17866.1697 0.0000 0.0000 34543.5057 -149230.5540 301.6770 -183774.0597 -149131.1318 299.1840 26.4892 58.2576 557377.2692 12.4407 12.2082 PRESSURE: 2297000 -62.8592 34.0947 -130.94 34.0944 35.6661 -151.97 -130.94 -151.971 121.054 GPRESSURE: 2297000 -46.159 40.5513 -112.452 52.6289 105.716 -191.679 -137.969 -146.313 128.131 PRESSAVG: 2297000 41.8331 36.4173 23.3545 36.4174 20.7063 -15.9993 23.3545 -15.9993 -51.4754 GPRESSAVG: 2297000 41.0352 35.8548 23.1456 38.053 22.0344 -18.2115 21.9184 -13.38 -52.241 TIMING: 2297000 CPU: 6840.46, 0.0029971/step Wall: 6840.46, 0.0029971/step, 2.25033 hours remaining, 205.425781 MB of memory in use. ENERGY: 2297000 755.2593 2093.0646 1983.4100 118.2550 -206148.8230 17878.2085 0.0000 0.0000 34386.7841 -148933.8414 300.3083 -183320.6255 -148837.4036 300.0252 31.2870 62.5628 558162.0888 3.6880 3.6095 PRESSURE: 2297200 166.24 102.719 133.916 102.719 -28.3717 98.6857 133.917 98.6864 137.861 GPRESSURE: 2297200 159.14 68.976 166.635 109.481 53.8077 151.821 37.9505 119.085 161.068 PRESSAVG: 2297200 -8.32552 40.5567 -42.985 40.5567 31.6398 -17.0131 -42.985 -17.013 -5.5485 GPRESSAVG: 2297200 -8.80427 40.5879 -43.9478 40.7423 32.2638 -17.6977 -40.9568 -18.9366 -5.24974 TIMING: 2297200 CPU: 6841.06, 0.00297501/step Wall: 6841.06, 0.00297501/step, 2.23357 hours remaining, 205.425781 MB of memory in use. ENERGY: 2297200 760.4375 2060.7086 1954.5532 111.4530 -206118.7100 17806.5724 0.0000 0.0000 34310.0114 -149114.9739 299.6379 -183424.9853 -149017.0023 299.6882 91.9099 124.6718 558035.3392 5.9219 6.0699 PRESSURE: 2297400 -269.591 -4.979 -62.4968 -4.97881 -332.258 137.78 -62.4978 137.781 -164.699 GPRESSURE: 2297400 -203.869 4.29956 -59.0808 42.575 -298.377 114.269 -2.97301 116.554 -162.362 PRESSAVG: 2297400 -21.6798 49.2004 1.9961 49.2004 6.34818 45.6152 1.99611 45.6151 17.6067 GPRESSAVG: 2297400 -19.8254 47.814 3.317 49.3477 3.66553 45.762 -0.346476 45.6486 18.7029 TIMING: 2297400 CPU: 6841.65, 0.00298339/step Wall: 6841.65, 0.00298339/step, 2.2397 hours remaining, 205.425781 MB of memory in use. ENERGY: 2297400 785.5934 2118.1386 1943.9328 124.4649 -205852.8893 17471.7636 0.0000 0.0000 34315.9099 -149093.0860 299.6894 -183408.9959 -148994.5874 299.6572 -255.5162 -221.5359 558185.6018 0.7584 0.8477 PRESSURE: 2297600 -41.5269 -15.5134 41.6705 -15.5143 30.9421 136.987 41.6695 136.988 191.944 GPRESSURE: 2297600 -45.4647 -79.2912 19.9758 -24.036 75.2193 193.94 103.401 190.648 233.704 PRESSAVG: 2297600 14.6239 0.1536 -7.81908 0.153575 5.39641 53.103 -7.81906 53.103 -0.425466 GPRESSAVG: 2297600 13.2176 1.14427 -8.25562 -2.21896 7.15859 54.8113 -7.08153 53.6641 -0.770562 TIMING: 2297600 CPU: 6842.25, 0.00300607/step Wall: 6842.25, 0.00300607/step, 2.25655 hours remaining, 205.425781 MB of memory in use. ENERGY: 2297600 746.1789 2149.3959 1936.6362 102.9010 -205967.9755 17903.9629 0.0000 0.0000 34023.5609 -149105.3397 297.1362 -183128.9006 -149009.4250 299.6301 60.4532 87.8197 558843.8865 6.5316 6.5352 PRESSURE: 2297800 23.4753 -164.608 -103.123 -164.609 -111.959 88.8438 -103.123 88.8439 -130.425 GPRESSURE: 2297800 96.032 -230.305 -127.53 -100.351 -92.3886 98.4856 -121.903 63.0802 -130.561 PRESSAVG: 2297800 -52.9763 40.2092 29.4611 40.2092 -18.5378 -16.2781 29.4611 -16.2782 22.1631 GPRESSAVG: 2297800 -51.6851 37.5554 30.0986 41.7366 -19.2078 -17.4714 28.7285 -17.3341 21.2145 TIMING: 2297800 CPU: 6842.85, 0.00298541/step Wall: 6842.85, 0.00298541/step, 2.24088 hours remaining, 205.425781 MB of memory in use. ENERGY: 2297800 767.8663 2122.9296 1955.2651 113.1979 -206086.0745 17729.5899 0.0000 0.0000 34432.4890 -148964.7367 300.7075 -183397.2258 -148872.8292 299.4275 -72.9698 -42.3059 557331.6323 -16.4503 -16.5595 PRESSURE: 2298000 -118.494 16.5002 131.734 16.4993 -115.71 -51.3799 131.734 -51.3806 100.015 GPRESSURE: 2298000 -100.158 -21.9914 190.054 34.8961 -89.7695 -44.282 146.645 -22.4179 163.066 PRESSAVG: 2298000 13.6435 -7.13065 59.6824 -7.13068 -56.9861 17.9687 59.6823 17.9686 40.9024 GPRESSAVG: 2298000 13.3027 -6.70627 59.9217 -5.74268 -57.147 16.7303 59.3025 20.7016 41.4601 TIMING: 2298000 CPU: 6843.45, 0.00299947/step Wall: 6843.45, 0.00299947/step, 2.25127 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: 2298000 757.5243 2096.0056 1959.5442 114.3262 -205915.9000 17747.3108 0.0000 0.0000 34097.7207 -149143.4682 297.7839 -183241.1890 -149051.1310 299.4279 -44.7295 -8.9537 556833.6849 -0.8134 -0.7948 PRESSURE: 2298200 9.73202 -55.2991 43.1009 -55.2997 -163.435 -83.0477 43.1004 -83.047 265.04 GPRESSURE: 2298200 19.9498 40.0015 -21.2139 -26.5041 -61.966 -59.323 80.076 -53.1405 236.849 PRESSAVG: 2298200 69.9785 -0.433713 38.3369 -0.433659 -91.9564 8.29561 38.3369 8.29553 11.8768 GPRESSAVG: 2298200 70.3385 1.33354 37.3902 -1.23403 -93.7155 8.58119 40.8933 6.34781 12.9699 TIMING: 2298200 CPU: 6844.05, 0.00298433/step Wall: 6844.05, 0.00298433/step, 2.23974 hours remaining, 205.425781 MB of memory in use. ENERGY: 2298200 707.8445 2079.6916 1974.4365 117.8231 -206112.5521 17814.5489 0.0000 0.0000 34332.5760 -149085.6315 299.8349 -183418.2075 -148989.0678 299.1874 37.1122 64.9443 558906.4834 -3.3670 -3.4690 PRESSURE: 2298400 -62.9475 -205.681 -13.829 -205.68 -24.7707 -191.186 -13.8261 -191.189 53.029 GPRESSURE: 2298400 7.94894 -198.038 -37.4982 -240.6 7.58083 -107.629 19.9026 -189.016 45.4911 PRESSAVG: 2298400 36.3759 16.2921 -24.8722 16.2921 -32.9284 8.14744 -24.8722 8.14738 -53.1237 GPRESSAVG: 2298400 36.5836 13.9898 -25.2651 16.3284 -33.5428 10.4969 -25.3376 7.47522 -52.6592 TIMING: 2298400 CPU: 6844.65, 0.00299127/step Wall: 6844.65, 0.00299127/step, 2.24478 hours remaining, 205.425781 MB of memory in use. ENERGY: 2298400 741.7300 2089.4313 1932.2008 119.7056 -206079.0920 17809.4651 0.0000 0.0000 34323.4677 -149063.0916 299.7554 -183386.5593 -148967.9719 299.9016 -11.5631 20.3403 557728.2014 -16.5587 -16.5395 PRESSURE: 2298600 156.117 280.575 60.9445 280.574 471.164 88.0343 60.9443 88.0336 205.999 GPRESSURE: 2298600 162.513 341.931 63.6364 171.626 495.999 -9.15499 63.6885 138.772 272.825 PRESSAVG: 2298600 24.5313 25.6847 -16.7021 25.6848 -11.1383 -36.7719 -16.7021 -36.7721 -14.2326 GPRESSAVG: 2298600 24.2059 27.8074 -18.0296 25.9836 -9.61606 -37.6658 -15.3223 -36.9341 -15.0368 TIMING: 2298600 CPU: 6845.25, 0.0029927/step Wall: 6845.25, 0.0029927/step, 2.24569 hours remaining, 205.425781 MB of memory in use. ENERGY: 2298600 727.2209 2101.6053 1932.7973 106.3211 -206258.3446 18112.8569 0.0000 0.0000 34331.4549 -148946.0883 299.8251 -183277.5431 -148845.4212 299.7873 277.7604 310.4458 556258.6670 -0.2799 -0.1490 PRESSURE: 2298800 -218.069 88.6632 49.2552 88.6626 -16.6169 -24.2841 49.2556 -24.285 34.5601 GPRESSURE: 2298800 -186.621 92.1394 -7.29024 125.461 56.2838 -32.7703 54.9048 -34.3616 25.3764 PRESSAVG: 2298800 -4.24497 45.4295 5.04955 45.4295 -18.7882 29.0614 5.04957 29.0613 15.6193 GPRESSAVG: 2298800 -4.96027 44.3545 5.5153 46.2878 -18.2509 29.5182 4.22847 27.8513 15.886 TIMING: 2298800 CPU: 6845.85, 0.00301969/step Wall: 6845.85, 0.00301969/step, 2.26578 hours remaining, 205.425781 MB of memory in use. ENERGY: 2298800 743.3689 2112.6417 1960.5852 120.4290 -205912.6822 17706.6545 0.0000 0.0000 34078.9542 -149190.0487 297.6200 -183269.0029 -149087.6263 299.3062 -66.7086 -34.9868 557283.6739 -2.4713 -2.4417 PRESSURE: 2299000 84.4408 14.0468 -10.2622 14.0463 72.7513 21.5825 -10.2615 21.5838 124.08 GPRESSURE: 2299000 109.944 16.3892 -11.5607 44.618 102.78 0.427214 28.8125 43.94 171.229 PRESSAVG: 2299000 -47.8302 -28.2019 -11.9179 -28.2019 23.8945 11.9029 -11.9179 11.903 38.3415 GPRESSAVG: 2299000 -46.5193 -28.2416 -11.8898 -28.7652 21.6955 13.1539 -10.5582 14.0216 38.6136 TIMING: 2299000 CPU: 6846.45, 0.00301303/step Wall: 6846.45, 0.00301303/step, 2.26061 hours remaining, 205.425781 MB of memory in use. ENERGY: 2299000 761.1796 2090.6549 1920.5624 110.1608 -206586.6235 18034.3253 0.0000 0.0000 34392.3248 -149277.4156 300.3567 -183669.7404 -149179.1932 299.3481 93.7573 127.9842 557312.3422 4.8020 4.5966 PRESSURE: 2299200 -197.356 10.8665 -104.493 10.8675 -218.947 25.4592 -104.494 25.4583 -200.791 GPRESSURE: 2299200 -137.166 -69.8686 -57.7117 12.5197 -212.36 37.2803 -59.1402 -51.5598 -182.227 PRESSAVG: 2299200 -11.9933 -26.5256 -11.6691 -26.5256 18.7547 17.8711 -11.669 17.8712 -7.42237 GPRESSAVG: 2299200 -14.7259 -26.6508 -11.1713 -28.3675 20.3871 14.2792 -12.5171 18.3351 -6.79387 TIMING: 2299200 CPU: 6847.05, 0.00299063/step Wall: 6847.05, 0.00299063/step, 2.24364 hours remaining, 205.425781 MB of memory in use. ENERGY: 2299200 738.3090 2043.9665 1969.2064 107.1755 -205972.0391 17628.2310 0.0000 0.0000 34287.5477 -149197.6029 299.4417 -183485.1506 -149098.3478 299.5347 -205.6979 -177.2507 559498.9546 -0.2203 -0.3775 PRESSURE: 2299400 203.911 -2.37341 236.048 -2.37273 114.488 93.1699 236.048 93.1697 251.686 GPRESSURE: 2299400 228.977 -7.10912 233.193 38.5532 161.777 65.6764 175.155 125.998 279.241 PRESSAVG: 2299400 -32.2839 32.6047 20.2482 32.6047 28.2092 38.6894 20.2482 38.6894 22.0491 GPRESSAVG: 2299400 -30.934 34.4134 20.194 33.6177 27.9004 41.7803 19.9782 37.517 20.9674 TIMING: 2299400 CPU: 6847.64, 0.00297201/step Wall: 6847.64, 0.00297201/step, 2.2295 hours remaining, 205.425781 MB of memory in use. ENERGY: 2299400 744.6582 2163.3923 1954.3711 107.0666 -206400.7440 18073.6003 0.0000 0.0000 34087.4257 -149270.2297 297.6940 -183357.6554 -149175.6957 299.1337 190.0279 223.3319 557400.0281 5.9915 5.9780 PRESSURE: 2299600 -193.154 86.8701 -20.4641 86.8695 -137.113 76.4936 -20.4635 76.4925 141.393 GPRESSURE: 2299600 -171.095 22.107 -60.0329 119.168 -74.8913 111.585 59.1204 87.5038 159.716 PRESSAVG: 2299600 -50.6134 -12.6088 11.9824 -12.6088 -4.46706 59.3955 11.9824 59.3954 21.6795 GPRESSAVG: 2299600 -51.2734 -13.7017 9.00439 -11.3208 -4.24994 59.1246 11.5477 61.2319 21.7628 TIMING: 2299600 CPU: 6848.24, 0.00295925/step Wall: 6848.24, 0.00295925/step, 2.21977 hours remaining, 205.425781 MB of memory in use. ENERGY: 2299600 737.4920 2035.5606 1934.2994 116.2724 -206214.8225 17688.1438 0.0000 0.0000 34332.1264 -149370.9279 299.8310 -183703.0543 -149280.1551 298.5752 -62.9581 -28.7565 559070.6930 -11.1336 -11.2535 PRESSURE: 2299800 -174.385 224.21 21.2144 224.211 -184.578 -70.3137 21.2138 -70.317 67.0319 GPRESSURE: 2299800 -129.364 165.828 20.9007 234.414 -159.362 11.2117 33.9145 -93.6481 106.271 PRESSAVG: 2299800 -6.75901 -25.4425 -10.0323 -25.4426 -40.3766 2.91098 -10.0323 2.91099 39.2358 GPRESSAVG: 2299800 -6.27376 -25.4003 -7.45721 -25.3919 -41.3303 1.88934 -11.2638 3.85914 38.7671 TIMING: 2299800 CPU: 6848.82, 0.00294106/step Wall: 6848.82, 0.00294106/step, 2.20596 hours remaining, 205.425781 MB of memory in use. ENERGY: 2299800 743.8696 2101.6884 1939.9088 104.2454 -205844.0522 17542.2416 0.0000 0.0000 34047.6625 -149364.4359 297.3467 -183412.0984 -149266.9017 298.8384 -97.3103 -60.8186 559048.9624 -2.6333 -2.9456 PRESSURE: 2300000 85.4822 -86.5144 -13.6336 -86.5142 -112.314 -62.4206 -13.6354 -62.4216 -69.1237 GPRESSURE: 2300000 71.4612 -73.7043 -43.5099 -124.109 -72.4901 -92.8954 -25.073 -49.8807 8.11547 PRESSAVG: 2300000 -12.8088 -16.5707 -9.40188 -16.5707 29.9175 -19.711 -9.40204 -19.711 -22.8984 GPRESSAVG: 2300000 -11.8857 -16.9195 -10.7449 -17.7167 29.8088 -17.9752 -8.4469 -21.6916 -23.6066 TIMING: 2300000 CPU: 6849.42, 0.00295781/step Wall: 6849.42, 0.00295781/step, 2.21836 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: 2300000 734.9303 2120.0953 1920.4664 104.9253 -206287.5509 17718.0740 0.0000 0.0000 34252.7609 -149436.2987 299.1379 -183689.0596 -149343.4598 298.5795 -31.9852 2.3622 557391.6043 -1.9299 -1.8945 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 WRITING COORDINATES TO DCD FILE MD.1.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 -170.711 -98.6568 -6.43635 -98.6559 89.8697 -73.007 -6.43596 -73.0069 -190.29 GPRESSURE: 2300200 -128.619 -204.28 7.66951 -43.3338 105.208 -6.12758 40.1782 -46.5767 -154.687 PRESSAVG: 2300200 13.6811 20.236 -29.4061 20.236 88.6031 -5.21167 -29.4061 -5.21164 -63.2133 GPRESSAVG: 2300200 12.6514 20.5577 -28.1703 20.7952 89.8658 -6.58661 -31.2371 -6.2792 -63.5839 TIMING: 2300200 CPU: 6850.03, 0.00305468/step Wall: 6850.03, 0.00305468/step, 2.29084 hours remaining, 205.425781 MB of memory in use. ENERGY: 2300200 701.1162 2164.1989 1971.6598 126.8637 -206275.5992 17663.7579 0.0000 0.0000 34128.8077 -149519.1950 298.0554 -183648.0027 -149420.4074 298.7459 -90.3771 -59.3661 556466.4354 13.0236 12.9778 LDB: ============= START OF LOAD BALANCING ============== 6853.45 LDB: ============== END OF LOAD BALANCING =============== 6853.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6853.45 LDB: ============= START OF LOAD BALANCING ============== 6853.75 LDB: Largest compute 4849 load 0.028907 is 24.5% of average load 0.118051 LDB: Average compute 0.001727 is 1.5% of average load 0.118051 LDB: TIME 6853.76 LOAD: AVG 0.118051 MAX 0.206305 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 6853.76 LOAD: AVG 0.118051 MAX 0.206305 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.449 MB LDB: TIME 6853.76 LOAD: AVG 0.118051 MAX 0.206305 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.449 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6853.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6853.76 PRESSURE: 2300400 4.76949 -94.6446 -129.136 -94.6447 164.725 129.063 -129.137 129.062 241.495 GPRESSURE: 2300400 63.7392 16.4998 -77.0405 -31.6779 158.336 148.051 -183.625 119.498 288.317 PRESSAVG: 2300400 -59.512 -14.356 -53.9286 -14.356 57.9425 38.1355 -53.9287 38.1354 38.0217 GPRESSAVG: 2300400 -59.7112 -12.5201 -54.6904 -15.4657 57.1694 40.3412 -52.1299 38.0936 39.0287 TIMING: 2300400 CPU: 6850.63, 0.0030345/step Wall: 6850.63, 0.0030345/step, 2.27554 hours remaining, 205.929688 MB of memory in use. ENERGY: 2300400 743.4437 2068.6243 1917.8895 118.1294 -206566.2757 18040.0996 0.0000 0.0000 34284.9003 -149393.1889 299.4186 -183678.0892 -149299.5058 298.8906 136.9965 170.1309 556444.9145 12.1507 12.1623 PRESSURE: 2300600 -41.792 3.61514 -16.6496 3.61441 66.9033 124.086 -16.6497 124.084 -25.1581 GPRESSURE: 2300600 -46.93 -58.2951 -80.5051 28.3257 169.008 148.816 -43.9703 38.208 -19.5896 PRESSAVG: 2300600 -48.7856 -37.0567 -24.0333 -37.0566 28.0561 -23.1671 -24.0333 -23.1672 21.6941 GPRESSAVG: 2300600 -48.505 -38.9667 -22.7042 -38.2754 29.2072 -24.6109 -24.3217 -23.7463 20.0862 TIMING: 2300600 CPU: 6851.24, 0.00301278/step Wall: 6851.24, 0.00301278/step, 2.25908 hours remaining, 206.132812 MB of memory in use. ENERGY: 2300600 760.8616 2091.9953 1924.6915 115.6976 -206649.1424 17999.9123 0.0000 0.0000 34325.9510 -149430.0331 299.7771 -183755.9841 -149335.0583 298.5914 -0.0156 34.1629 556955.7497 0.3215 0.2628 PRESSURE: 2300800 -40.9523 -112.953 -153.248 -112.952 -32.6273 -29.2102 -153.249 -29.2078 -242.904 GPRESSURE: 2300800 -33.616 -92.9692 -96.0364 -113.759 9.10434 -53.0115 -147.338 -77.4013 -189.086 PRESSAVG: 2300800 17.4582 78.2789 44.5653 78.2789 -27.8346 21.1066 44.5652 21.1067 -14.3345 GPRESSAVG: 2300800 17.1843 78.1358 44.3929 80.8527 -28.6629 19.9625 43.2473 22.2457 -13.3512 TIMING: 2300800 CPU: 6851.83, 0.00297008/step Wall: 6851.83, 0.00297008/step, 2.2269 hours remaining, 206.132812 MB of memory in use. ENERGY: 2300800 765.5636 2110.6905 1927.1381 100.7135 -206046.9649 17724.3529 0.0000 0.0000 34084.5755 -149333.9308 297.6691 -183418.5063 -149237.2786 298.1239 -105.4945 -71.1991 558638.9307 -8.2369 -8.2766 PRESSURE: 2301000 -243.228 -21.2974 80.9588 -21.2978 -384.514 -42.8563 80.9593 -42.855 -79.7839 GPRESSURE: 2301000 -137.189 -31.9518 86.0489 81.2556 -341.146 -44.8206 91.1692 14.8969 -134.005 PRESSAVG: 2301000 -48.3899 -7.89952 47.6201 -7.89954 20.5591 -12.9726 47.6201 -12.9726 53.9298 GPRESSAVG: 2301000 -48.0408 -7.41626 49.3781 -9.10087 21.1337 -11.8396 47.4363 -12.5701 53.2199 TIMING: 2301000 CPU: 6852.43, 0.00297686/step Wall: 6852.43, 0.00297686/step, 2.23182 hours remaining, 206.132812 MB of memory in use. ENERGY: 2301000 785.8251 2064.0629 1954.2636 108.1217 -205824.6457 17485.0321 0.0000 0.0000 34130.0427 -149297.2975 298.0662 -183427.3403 -149197.1066 298.9965 -235.8419 -204.1133 558059.3996 8.6996 8.7709 PRESSURE: 2301200 36.3325 59.2809 141.884 59.2795 -31.3698 -77.8427 141.884 -77.8424 -36.1579 GPRESSURE: 2301200 61.2853 121.295 263.001 -1.14722 -8.34539 -34.8827 55.2226 -128.51 10.1282 PRESSAVG: 2301200 5.02922 -1.96237 74.598 -1.96229 23.4508 9.59683 74.598 9.5969 -36.1001 GPRESSAVG: 2301200 4.51792 -3.57742 73.4743 -1.92202 23.0952 8.30244 74.9033 8.48881 -35.3391 TIMING: 2301200 CPU: 6853.02, 0.00298683/step Wall: 6853.02, 0.00298683/step, 2.23913 hours remaining, 206.132812 MB of memory in use. ENERGY: 2301200 746.5636 2053.6090 1959.8814 122.9842 -206300.1409 17857.4627 0.0000 0.0000 34318.8339 -149240.8060 299.7149 -183559.6399 -149144.3929 298.6611 -10.3984 21.0227 556862.0070 -2.5401 -2.5753 PRESSURE: 2301400 0.63376 -115.23 -0.832474 -115.228 45.7467 74.4435 -0.832512 74.4435 114.397 GPRESSURE: 2301400 40.4959 -104.605 -28.8877 -106.21 53.2734 -44.4665 -7.42767 52.0496 171.77 PRESSAVG: 2301400 32.9047 -25.6708 -14.2301 -25.6708 36.078 -38.1994 -14.2302 -38.1993 -51.0845 GPRESSAVG: 2301400 34.037 -23.4396 -16.0057 -27.034 35.2993 -38.0116 -12.7187 -38.5918 -51.6244 TIMING: 2301400 CPU: 6853.62, 0.00300459/step Wall: 6853.62, 0.00300459/step, 2.25227 hours remaining, 206.132812 MB of memory in use. ENERGY: 2301400 799.3307 2056.2775 1932.6333 111.0623 -206641.8413 18007.5134 0.0000 0.0000 34367.3337 -149367.6904 300.1385 -183735.0241 -149276.8064 298.9567 53.5924 88.5132 557126.8422 5.9661 5.9040 PRESSURE: 2301600 32.7514 138.511 -49.2686 138.512 -191.957 210.894 -49.2691 210.893 44.1705 GPRESSURE: 2301600 61.3041 169.34 -132.875 105.767 -158.62 242.792 -38.649 231.511 69.3409 PRESSAVG: 2301600 48.2939 14.2162 -3.17594 14.2162 -39.3503 17.8961 -3.17589 17.8961 -6.15306 GPRESSAVG: 2301600 47.7763 14.4315 -0.883746 14.3819 -38.165 19.3185 -3.11155 16.5095 -6.53194 TIMING: 2301600 CPU: 6854.22, 0.00298916/step Wall: 6854.22, 0.00298916/step, 2.24054 hours remaining, 206.132812 MB of memory in use. ENERGY: 2301600 745.5463 2006.3022 1959.7401 109.3468 -206485.3474 17806.5960 0.0000 0.0000 34392.1742 -149465.6417 300.3554 -183857.8159 -149369.1612 299.2764 -38.3450 -9.3251 557415.1889 0.9302 1.0265 PRESSURE: 2301800 -13.9388 56.2471 55.803 56.2473 36.4687 -133.066 55.8023 -133.068 -321.374 GPRESSURE: 2301800 -10.9814 72.8476 68.8879 67.7721 18.1229 -60.0042 25.5696 -195.242 -220.348 PRESSAVG: 2301800 29.8113 -2.32474 10.0043 -2.32464 67.6158 -20.3225 10.0044 -20.3224 -27.2399 GPRESSAVG: 2301800 30.3333 -3.00176 9.75442 -0.877284 65.2893 -20.7001 8.56178 -18.837 -25.9688 TIMING: 2301800 CPU: 6854.82, 0.00298083/step Wall: 6854.82, 0.00298083/step, 2.23413 hours remaining, 206.132812 MB of memory in use. ENERGY: 2301800 726.7062 2094.3714 1942.4960 114.6719 -206328.9270 17850.9746 0.0000 0.0000 34101.5366 -149498.1703 297.8172 -183599.7069 -149398.1916 298.6743 -99.6147 -71.0687 558731.8803 23.3957 23.2180 PRESSURE: 2302000 -119.023 -133.775 61.1797 -133.775 -14.9737 81.3947 61.1802 81.3944 -196.54 GPRESSURE: 2302000 -77.8515 -100.54 26.9669 -128.779 41.0695 68.4511 133.633 56.0191 -207.388 PRESSAVG: 2302000 3.81781 -8.72362 58.2561 -8.72362 40.4177 -11.7058 58.2561 -11.7058 -41.2644 GPRESSAVG: 2302000 3.29652 -8.24919 55.876 -9.94826 41.1103 -11.8483 61.3664 -11.5211 -41.1364 TIMING: 2302000 CPU: 6855.41, 0.00297955/step Wall: 6855.41, 0.00297955/step, 2.23301 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: 2302000 730.4518 2046.9480 1978.3712 119.8538 -206326.9985 17787.2301 0.0000 0.0000 34210.3364 -149453.8072 298.7674 -183664.1436 -149360.1831 298.4642 -110.1787 -81.3899 557558.1239 0.9904 1.0901 PRESSURE: 2302200 -58.6263 -348.987 -7.02245 -348.987 -170.568 -152.599 -7.02269 -152.599 -78.1198 GPRESSURE: 2302200 -38.6831 -371.088 41.5565 -329.919 -126.902 -118.015 75.4113 -180.578 -54.7561 PRESSAVG: 2302200 35.601 -64.1657 0.493966 -64.1657 -55.9085 6.79904 0.493893 6.79902 -14.5255 GPRESSAVG: 2302200 35.7034 -64.8282 2.87844 -64.7485 -55.69 9.3255 -1.03065 5.22505 -14.7446 TIMING: 2302200 CPU: 6856.02, 0.00300675/step Wall: 6856.02, 0.00300675/step, 2.25322 hours remaining, 206.132812 MB of memory in use. ENERGY: 2302200 725.8839 2072.7979 1959.0072 104.1109 -205922.1837 17573.0182 0.0000 0.0000 34209.2073 -149278.1582 298.7575 -183487.3655 -149174.7072 298.2577 -102.4382 -73.4471 558029.4186 -11.6110 -11.5770 PRESSURE: 2302400 -238.683 -39.0525 78.6713 -39.052 40.8035 222.497 78.6717 222.497 11.6638 GPRESSURE: 2302400 -284.858 -80.634 55.8831 -25.9852 74.9387 135.863 84.2392 287.687 113.633 PRESSAVG: 2302400 118.458 -31.6798 29.1803 -31.6798 -38.8084 29.0026 29.1803 29.0026 -77.4108 GPRESSAVG: 2302400 118.668 -30.9935 27.0481 -31.384 -39.7253 26.6484 29.2988 30.784 -76.237 TIMING: 2302400 CPU: 6856.62, 0.00300398/step Wall: 6856.62, 0.00300398/step, 2.25098 hours remaining, 206.132812 MB of memory in use. ENERGY: 2302400 720.0917 2151.6364 1960.0021 117.3641 -205962.8233 17602.3462 0.0000 0.0000 34199.8889 -149211.4938 298.6761 -183411.3827 -149117.9921 298.5411 -62.0718 -32.0953 556943.0862 0.7463 0.9020 PRESSURE: 2302600 -131.049 -42.5441 24.8856 -42.5432 -189.885 90.4073 24.8863 90.4091 -170.039 GPRESSURE: 2302600 -80.1029 -55.5948 22.6095 9.29184 -158.717 86.0819 95.3741 24.9518 -146.607 PRESSAVG: 2302600 -10.8399 -54.1637 8.87874 -54.1635 52.2094 29.2824 8.87878 29.2824 -13.6912 GPRESSAVG: 2302600 -9.36863 -54.3835 10.9556 -52.849 53.3177 27.8536 6.96927 29.373 -16.3133 TIMING: 2302600 CPU: 6857.22, 0.00300185/step Wall: 6857.22, 0.00300185/step, 2.24922 hours remaining, 206.132812 MB of memory in use. ENERGY: 2302600 714.2886 2121.7266 1966.3222 115.4794 -205779.9784 17452.8790 0.0000 0.0000 34079.0168 -149330.2656 297.6205 -183409.2824 -149236.6220 299.6489 -163.6574 -128.4757 557181.4417 9.2261 9.2119 PRESSURE: 2302800 240.128 133.516 49.8943 133.516 -63.5146 -107.952 49.8931 -107.951 -3.24693 GPRESSURE: 2302800 300.914 108.085 31.7109 134.652 -67.8496 -58.3825 54.2048 -137.322 35.6899 PRESSAVG: 2302800 115.395 13.9982 7.32927 13.9983 -20.5977 1.29671 7.32927 1.29662 -83.8136 GPRESSAVG: 2302800 113.98 13.1584 5.44223 13.3856 -20.3823 0.675378 8.44235 3.59245 -81.9424 TIMING: 2302800 CPU: 6857.82, 0.00301207/step Wall: 6857.82, 0.00301207/step, 2.25671 hours remaining, 206.132812 MB of memory in use. ENERGY: 2302800 720.5543 2081.3142 1930.5256 109.5752 -206276.8939 17858.8788 0.0000 0.0000 34338.7132 -149237.3326 299.8885 -183576.0458 -149138.3853 299.0944 57.7887 89.5846 557147.2376 3.6614 3.8850 PRESSURE: 2303000 45.5039 -126.402 4.06587 -126.401 232.555 -108.289 4.06722 -108.288 218.434 GPRESSURE: 2303000 66.6667 -181.37 -100.751 -113.739 261.958 -44.4019 37.4461 -188.708 266.461 PRESSAVG: 2303000 20.0132 -28.459 -22.467 -28.4591 79.2947 -34.5042 -22.467 -34.5042 -53.0682 GPRESSAVG: 2303000 20.5444 -28.2043 -22.1453 -30.6685 78.7335 -31.1717 -21.2809 -38.6784 -53.7596 TIMING: 2303000 CPU: 6858.42, 0.00298312/step Wall: 6858.42, 0.00298312/step, 2.23485 hours remaining, 206.132812 MB of memory in use. ENERGY: 2303000 712.5511 2072.1726 1957.1742 112.1618 -206198.9766 17789.7084 0.0000 0.0000 34279.6276 -149275.5808 299.3725 -183555.2085 -149176.8116 299.5518 165.4977 198.3616 556382.6785 15.4133 15.1728 PRESSURE: 2303200 -133.696 55.8601 -143.498 55.8603 -28.6782 -133.259 -143.497 -133.259 82.5311 GPRESSURE: 2303200 -93.367 171.178 -110.154 -44.6358 59.8664 -150.049 -128.298 -28.8908 69.71 PRESSAVG: 2303200 41.307 -12.4422 -32.4306 -12.4422 -2.64042 -41.8838 -32.4305 -41.8839 -45.6175 GPRESSAVG: 2303200 40.9852 -8.87841 -31.7424 -12.6721 -2.00024 -44.9204 -34.0186 -38.713 -45.1769 TIMING: 2303200 CPU: 6859.02, 0.00300751/step Wall: 6859.02, 0.00300751/step, 2.25296 hours remaining, 206.132812 MB of memory in use. ENERGY: 2303200 740.1155 2064.6922 1960.1009 112.7946 -206083.8386 17727.3259 0.0000 0.0000 34279.0513 -149199.7582 299.3675 -183478.8096 -149095.0879 298.6456 -26.6143 12.0698 557139.1034 -2.3170 -2.0640 PRESSURE: 2303400 301.784 -5.55712 -68.9357 -5.55562 70.6461 -116.966 -68.9353 -116.965 82.7926 GPRESSURE: 2303400 337.255 -3.11382 -118.397 40.1217 125.614 -104.925 -38.7819 -113.152 87.9844 PRESSAVG: 2303400 -23.7172 -19.3376 12.5553 -19.3377 -3.57417 -50.1471 12.5554 -50.1471 7.70112 GPRESSAVG: 2303400 -22.6186 -21.7591 11.8078 -17.6197 -3.83921 -48.3825 14.4109 -49.9141 6.67374 TIMING: 2303400 CPU: 6859.62, 0.00299479/step Wall: 6859.62, 0.00299479/step, 2.24326 hours remaining, 206.132812 MB of memory in use. ENERGY: 2303400 732.4223 2080.6371 1955.3276 111.1622 -206699.3624 18199.6895 0.0000 0.0000 34452.2723 -149167.8515 300.8803 -183620.1237 -149071.1302 299.4640 151.7408 183.6178 557198.5882 -6.5301 -6.5947 PRESSURE: 2303600 -411.889 -47.9145 27.1562 -47.9137 -225.14 -49.7604 27.1563 -49.7594 -332.853 GPRESSURE: 2303600 -397.056 36.5008 97.0734 -86.4646 -175.264 -66.5071 95.9423 -54.1623 -291.57 PRESSAVG: 2303600 10.891 37.3106 -32.5806 37.3107 72.7721 -7.50864 -32.5806 -7.50867 -33.7468 GPRESSAVG: 2303600 10.4867 36.6494 -33.5479 37.0747 71.9444 -7.77573 -32.7579 -6.99035 -32.812 TIMING: 2303600 CPU: 6860.21, 0.00295669/step Wall: 6860.21, 0.00295669/step, 2.21456 hours remaining, 206.132812 MB of memory in use. ENERGY: 2303600 751.9632 2137.9395 1928.5221 112.5394 -205906.5777 17343.9431 0.0000 0.0000 34369.1766 -149262.4938 300.1546 -183631.6704 -149163.8493 300.0489 -323.2943 -287.9634 557830.7214 16.6388 16.5397 PRESSURE: 2303800 96.4664 -97.1417 170.948 -97.1402 237.093 -10.9205 170.947 -10.9214 101.158 GPRESSURE: 2303800 119.29 -63.7302 186.04 -148.466 299.064 -62.8569 144.774 -24.7506 107.457 PRESSAVG: 2303800 26.8272 -23.6919 31.1244 -23.692 30.9511 64.1253 31.1244 64.1253 -39.3917 GPRESSAVG: 2303800 26.0382 -23.0416 32.3079 -22.987 32.1526 64.1736 30.4561 64.1724 -40.114 TIMING: 2303800 CPU: 6860.8, 0.00296857/step Wall: 6860.8, 0.00296857/step, 2.22329 hours remaining, 206.132812 MB of memory in use. ENERGY: 2303800 714.8827 2153.7543 1932.9362 112.4920 -206427.5324 17915.7376 0.0000 0.0000 34263.3514 -149334.3782 299.2304 -183597.7297 -149238.6032 299.3146 144.9056 175.2704 555980.5040 6.1289 6.0256 PRESSURE: 2304000 190.855 46.6023 -95.7167 46.6017 4.87455 -62.8182 -95.7151 -62.8195 -72.6634 GPRESSURE: 2304000 207.931 83.5333 -83.2461 41.1722 58.9773 -96.2774 -31.5616 -38.5967 -51.5894 PRESSAVG: 2304000 -43.4442 -47.4267 18.1398 -47.4267 81.6152 -1.62985 18.1398 -1.62992 -99.0194 GPRESSAVG: 2304000 -42.8409 -47.426 18.058 -48.1795 81.6932 -1.2852 19.2358 -2.58596 -99.5682 TIMING: 2304000 CPU: 6861.39, 0.00296774/step Wall: 6861.39, 0.00296774/step, 2.22251 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: 2304000 728.2673 2092.7534 1933.6698 112.3778 -206340.1164 17833.9123 0.0000 0.0000 34180.9315 -149458.2043 298.5106 -183639.1358 -149371.1672 298.3456 41.0219 71.7731 555169.0158 -20.2828 -20.2386 PRESSURE: 2304200 -78.5838 7.3739 -53.1081 7.37358 -77.452 60.9339 -53.1079 60.9322 -76.3802 GPRESSURE: 2304200 -33.035 -22.3802 -48.248 23.9885 -52.0918 154.128 -67.5821 21.3067 -50.427 PRESSAVG: 2304200 10.2261 13.391 -42.6563 13.391 2.78486 13.3201 -42.6563 13.3201 -16.9878 GPRESSAVG: 2304200 10.1872 11.3801 -42.1778 15.3492 2.80015 11.7043 -44.5028 12.9531 -16.8588 TIMING: 2304200 CPU: 6861.99, 0.00296804/step Wall: 6861.99, 0.00296804/step, 2.22257 hours remaining, 206.132812 MB of memory in use. ENERGY: 2304200 748.0396 2105.6624 1929.7481 93.3331 -206311.9644 17690.4393 0.0000 0.0000 34307.7082 -149437.0338 299.6177 -183744.7420 -149341.4234 298.2924 -77.4720 -45.1846 556684.7027 -1.3256 -1.2905 LDB: ============= START OF LOAD BALANCING ============== 6865.41 LDB: ============== END OF LOAD BALANCING =============== 6865.41 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6865.42 LDB: ============= START OF LOAD BALANCING ============== 6865.71 LDB: Largest compute 4849 load 0.028042 is 23.8% of average load 0.118069 LDB: Average compute 0.001725 is 1.5% of average load 0.118069 LDB: TIME 6865.72 LOAD: AVG 0.118069 MAX 0.20373 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 6865.72 LOAD: AVG 0.118069 MAX 0.20373 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.074 MB LDB: TIME 6865.72 LOAD: AVG 0.118069 MAX 0.20373 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6865.72 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6865.72 PRESSURE: 2304400 172.47 81.9754 -71.3955 81.9762 -187.851 85.7783 -71.3952 85.7774 27.9077 GPRESSURE: 2304400 142.505 127.368 -76.9088 61.6358 -115.266 127.615 -99.0911 67.7028 79.6549 PRESSAVG: 2304400 28.4614 -9.12939 55.0386 -9.12939 -37.5149 5.58876 55.0387 5.58867 -2.57009 GPRESSAVG: 2304400 28.9984 -6.59341 53.5449 -11.1218 -38.2113 5.66972 56.0218 7.63245 -2.61699 TIMING: 2304400 CPU: 6862.59, 0.00302853/step Wall: 6862.59, 0.00302853/step, 2.2677 hours remaining, 205.871094 MB of memory in use. ENERGY: 2304400 754.6851 2026.6160 1945.5747 126.0588 -206808.3142 18053.5787 0.0000 0.0000 34277.8242 -149623.9767 299.3568 -183901.8009 -149527.7766 298.0060 4.1755 35.6314 557949.4278 -3.8745 -3.9433 PRESSURE: 2304600 -115.664 -13.0049 38.0686 -13.0053 -106.601 -89.7842 38.0681 -89.7838 17.0404 GPRESSURE: 2304600 -70.1387 64.9139 112.459 -89.1545 -108.508 -75.3876 21.1544 -82.4512 81.1664 PRESSAVG: 2304600 75.8393 -32.4168 8.24158 -32.4169 0.633153 -24.1057 8.24152 -24.1057 -8.03237 GPRESSAVG: 2304600 74.9152 -33.799 9.99619 -32.403 0.56522 -24.1627 6.91061 -22.7396 -7.31198 TIMING: 2304600 CPU: 6863.19, 0.0030008/step Wall: 6863.19, 0.0030008/step, 2.24677 hours remaining, 205.871094 MB of memory in use. ENERGY: 2304600 765.0768 2089.6554 1947.0245 110.6104 -206534.5548 17937.5641 0.0000 0.0000 34077.3910 -149607.2326 297.6063 -183684.6235 -149508.2632 298.3463 -68.4082 -32.4934 556598.1028 22.8134 22.7228 PRESSURE: 2304800 0.802992 46.1235 104.712 46.1232 -13.944 -43.3415 104.712 -43.3413 -334.839 GPRESSURE: 2304800 38.8864 -49.4519 13.2792 24.3619 52.5151 -0.193905 113.432 -57.1976 -332.573 PRESSAVG: 2304800 51.1767 -15.2089 -23.5767 -15.2089 -50.8085 -21.5776 -23.5768 -21.5777 -3.83288 GPRESSAVG: 2304800 52.2932 -16.4684 -24.009 -13.9643 -49.6579 -19.13 -23.432 -24.1619 -6.048 TIMING: 2304800 CPU: 6863.79, 0.00297496/step Wall: 6863.79, 0.00297496/step, 2.22725 hours remaining, 205.871094 MB of memory in use. ENERGY: 2304800 750.4711 2063.6945 1926.1140 106.5557 -206373.8782 17873.7380 0.0000 0.0000 34025.3284 -149627.9765 297.1517 -183653.3049 -149523.9202 298.2058 -115.9934 -80.3906 557393.1905 -1.1549 -1.1376 PRESSURE: 2305000 -166.795 7.68336 -31.2095 7.68378 -226.948 52.6891 -31.2085 52.6891 -21.0202 GPRESSURE: 2305000 -137.532 -24.3733 -47.5928 61.2952 -161.555 98.5461 38.0978 35.1082 -34.1538 PRESSAVG: 2305000 40.8626 -0.449428 -0.0967921 -0.449388 20.6917 88.4172 -0.0968314 88.4172 -68.0998 GPRESSAVG: 2305000 39.4168 0.0828639 0.0538819 0.230917 20.631 85.2868 -0.716844 88.8486 -66.8608 TIMING: 2305000 CPU: 6864.39, 0.00300738/step Wall: 6864.39, 0.00300738/step, 2.25136 hours remaining, 205.871094 MB of memory in use. ENERGY: 2305000 775.6555 2076.1961 1914.8448 100.0184 -206176.0665 17635.9998 0.0000 0.0000 34198.6550 -149474.6968 298.6654 -183673.3518 -149375.3444 298.0807 -138.2544 -111.0801 558547.5868 -2.1818 -2.2710 PRESSURE: 2305200 101.753 -151.782 -67.7762 -151.784 357.201 149.476 -67.7767 149.476 124.812 GPRESSURE: 2305200 168.327 -92.7311 0.239198 -124.683 366.093 156.668 -32.4173 83.5945 153.625 PRESSAVG: 2305200 11.3844 -19.6106 8.29535 -19.6105 8.10524 54.6284 8.29534 54.6284 -28.391 GPRESSAVG: 2305200 12.8694 -17.5589 8.66842 -20.6802 7.31831 56.8962 7.32622 52.5456 -29.0366 TIMING: 2305200 CPU: 6864.99, 0.00299595/step Wall: 6864.99, 0.00299595/step, 2.24263 hours remaining, 205.871094 MB of memory in use. ENERGY: 2305200 735.6729 2056.7669 1919.6278 105.4387 -206943.9796 18382.5075 0.0000 0.0000 34164.8307 -149579.1352 298.3700 -183743.9659 -149475.3825 298.2247 194.5884 229.3482 558155.3757 -2.9671 -2.9497 PRESSURE: 2305400 -256.223 -97.1802 13.7098 -97.18 -81.4815 94.2545 13.7101 94.2548 -229.552 GPRESSURE: 2305400 -173.368 -47.7869 83.1934 -62.6135 -44.196 100.071 17.9309 69.9577 -256.225 PRESSAVG: 2305400 9.31052 11.5047 -25.9839 11.5047 6.98835 59.0283 -25.9839 59.0284 -39.4645 GPRESSAVG: 2305400 8.5091 9.82865 -28.169 11.6837 7.15295 58.525 -22.9807 60.3654 -38.0156 TIMING: 2305400 CPU: 6865.59, 0.0029949/step Wall: 6865.59, 0.0029949/step, 2.24168 hours remaining, 205.871094 MB of memory in use. ENERGY: 2305400 753.0652 2117.2959 1939.2760 116.2116 -206040.5631 17567.5116 0.0000 0.0000 34186.4522 -149360.7507 298.5588 -183547.2029 -149259.3497 298.4262 -189.0854 -157.9297 557880.5739 -7.7219 -7.4512 PRESSURE: 2305600 -133.504 101.55 -5.54343 101.551 28.9217 -20.6268 -5.54359 -20.6261 -44.235 GPRESSURE: 2305600 -96.8475 57.21 -34.9258 86.8585 40.198 -110.782 -36.2043 23.8744 -7.55098 PRESSAVG: 2305600 53.8258 49.4598 74.9816 49.4597 34.8138 61.7563 74.9817 61.7563 -70.5641 GPRESSAVG: 2305600 53.5874 51.4936 77.2335 48.6437 35.8267 60.3353 74.0765 62.249 -71.223 TIMING: 2305600 CPU: 6866.19, 0.00300311/step Wall: 6866.19, 0.00300311/step, 2.24766 hours remaining, 205.871094 MB of memory in use. ENERGY: 2305600 779.7973 2082.1050 1931.0561 113.7621 -206779.4552 18059.7229 0.0000 0.0000 34218.0810 -149594.9307 298.8350 -183813.0117 -149495.9255 298.5905 -49.6056 -21.4002 557405.6103 6.0252 6.0637 PRESSURE: 2305800 125.565 -0.836824 180.537 -0.836628 9.3665 132.52 180.538 132.519 76.2701 GPRESSURE: 2305800 79.4485 -88.2781 169.279 68.5814 106.081 78.0623 123.604 185.85 118.658 PRESSAVG: 2305800 -33.68 8.7656 25.7173 8.76555 24.7228 -8.15702 25.7174 -8.15692 23.9301 GPRESSAVG: 2305800 -32.863 7.61135 23.8945 8.11153 23.962 -7.15047 26.5207 -9.29515 23.5223 TIMING: 2305800 CPU: 6866.79, 0.0030141/step Wall: 6866.79, 0.0030141/step, 2.25572 hours remaining, 205.871094 MB of memory in use. ENERGY: 2305800 750.3366 2094.5367 1972.8391 118.6491 -206470.0568 17967.6564 0.0000 0.0000 34302.0075 -149264.0314 299.5680 -183566.0389 -149171.8996 298.6066 70.4005 101.3959 557557.3862 4.9910 4.8738 PRESSURE: 2306000 -121.923 30.465 -65.36 30.4659 -52.8508 -126.349 -65.36 -126.347 -77.0095 GPRESSURE: 2306000 -79.1992 104.998 -76.0325 -5.93109 -34.7472 -109.095 -78.2368 -133.836 -28.1116 PRESSAVG: 2306000 -0.497549 -20.9424 42.4884 -20.9423 25.5194 -53.5363 42.4883 -53.5363 1.306 GPRESSAVG: 2306000 -0.925408 -20.6466 44.6426 -21.0798 26.2827 -53.114 41.3063 -53.3442 1.08807 TIMING: 2306000 CPU: 6867.39, 0.0030046/step Wall: 6867.39, 0.0030046/step, 2.24845 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: 2306000 745.0977 2069.2840 1949.9091 109.1027 -206151.8336 17660.7072 0.0000 0.0000 34322.4750 -149295.2579 299.7467 -183617.7329 -149200.4414 299.2715 -83.9276 -47.3527 557862.1019 8.7760 8.8151 PRESSURE: 2306200 67.8489 -2.44173 78.7092 -2.44204 43.0202 -171.828 78.7091 -171.829 273.708 GPRESSURE: 2306200 56.62 30.7125 88.4052 -13.2235 131.165 -227.411 62.655 -125.471 284.726 PRESSAVG: 2306200 -41.2826 -17.4323 47.669 -17.4322 17.4308 -53.1937 47.669 -53.1938 -14.8422 GPRESSAVG: 2306200 -40.4112 -17.8442 48.6827 -16.2246 16.3102 -53.6383 48.7881 -53.4322 -14.9607 TIMING: 2306200 CPU: 6867.99, 0.00300477/step Wall: 6867.99, 0.00300477/step, 2.2484 hours remaining, 205.871094 MB of memory in use. ENERGY: 2306200 740.1436 2122.0748 1932.5189 119.6678 -206426.7519 18029.3254 0.0000 0.0000 34175.8817 -149307.1397 298.4665 -183483.0214 -149203.2372 299.1264 128.1922 157.5036 557065.6964 -12.8980 -13.0206 PRESSURE: 2306400 -329.833 -60.8837 1.62121 -60.8847 -230.834 -98.1156 1.61966 -98.1158 23.7034 GPRESSURE: 2306400 -310.277 -34.1038 -20.468 -69.5811 -185.348 -35.9202 4.00005 -126.051 61.4632 PRESSAVG: 2306400 9.0593 -17.941 28.7768 -17.941 -15.6057 -87.8431 28.7768 -87.8431 72.7596 GPRESSAVG: 2306400 9.77904 -17.1205 27.8718 -19.7212 -16.3756 -89.934 29.8066 -85.8479 73.348 TIMING: 2306400 CPU: 6868.59, 0.00297489/step Wall: 6868.59, 0.00297489/step, 2.22588 hours remaining, 205.871094 MB of memory in use. ENERGY: 2306400 744.9798 2085.0973 1934.0737 120.7319 -205868.7395 17366.5010 0.0000 0.0000 34335.2712 -149282.0847 299.8585 -183617.3559 -149176.7195 298.7090 -178.9879 -144.7205 556483.0987 22.0711 22.2505 PRESSURE: 2306600 27.3082 -83.7089 25.2029 -83.7094 -43.1569 16.6034 25.2028 16.6038 74.7986 GPRESSURE: 2306600 111.906 -184.563 -57.989 -31.6705 -26.5597 -8.28957 73.596 -4.10351 62.0851 PRESSAVG: 2306600 8.13528 -12.4733 -10.2863 -12.4732 -24.1394 -26.8508 -10.2863 -26.8508 18.2731 GPRESSAVG: 2306600 7.85945 -12.141 -12.6408 -10.3956 -23.7948 -26.0572 -8.78601 -28.1111 18.4539 TIMING: 2306600 CPU: 6869.18, 0.00296881/step Wall: 6869.18, 0.00296881/step, 2.22117 hours remaining, 205.871094 MB of memory in use. ENERGY: 2306600 788.1796 2114.0526 1948.4062 105.0487 -206188.9934 17880.7327 0.0000 0.0000 34156.5056 -149196.0680 298.2973 -183352.5736 -149099.9865 299.3884 19.6500 49.1437 556751.5186 0.7563 0.8395 PRESSURE: 2306800 120.477 -71.2002 114.333 -71.2018 -234.958 -76.76 114.334 -76.7604 -131.465 GPRESSURE: 2306800 100.769 -151.381 149.193 -62.4155 -183.98 -38.5152 125.203 -101.262 -66.3026 PRESSAVG: 2306800 6.35335 -80.3014 58.2028 -80.3015 71.0045 9.24941 58.2028 9.24943 -69.2833 GPRESSAVG: 2306800 5.65388 -80.0201 60.5656 -81.1853 70.6425 10.4775 55.8353 10.0257 -68.4099 TIMING: 2306800 CPU: 6869.77, 0.00295145/step Wall: 6869.77, 0.00295145/step, 2.20801 hours remaining, 205.871094 MB of memory in use. ENERGY: 2306800 724.8048 2065.9936 1937.1736 117.9341 -205366.3109 17429.9962 0.0000 0.0000 33887.1250 -149203.2837 295.9447 -183090.4087 -149112.3784 299.0607 -81.9822 -49.8382 558036.1997 2.6915 2.6288 PRESSURE: 2307000 -100.296 59.2963 -176.285 59.2955 191.72 -40.5403 -176.283 -40.5404 165.199 GPRESSURE: 2307000 -92.8282 2.38803 -106.499 84.8334 244.89 -106.336 -233.797 43.485 206.373 PRESSAVG: 2307000 17.287 7.88246 15.8493 7.88247 69.5042 -33.7785 15.8493 -33.7786 16.5861 GPRESSAVG: 2307000 18.178 4.33378 16.6944 8.44031 70.4315 -35.2104 15.5766 -33.8672 14.1377 TIMING: 2307000 CPU: 6870.37, 0.00297606/step Wall: 6870.37, 0.00297606/step, 2.22626 hours remaining, 205.871094 MB of memory in use. ENERGY: 2307000 743.6985 2109.6748 1923.7734 112.5296 -205989.6507 17805.5437 0.0000 0.0000 34145.7597 -149148.6709 298.2034 -183294.4307 -149052.2385 299.1067 85.5409 119.4783 556185.1779 34.4591 34.2491 PRESSURE: 2307200 -206.877 22.7712 79.6145 22.7714 -30.6585 9.31908 79.614 9.31876 -103.887 GPRESSURE: 2307200 -155.409 -18.5388 42.922 24.6316 -60.2652 17.1284 111.157 48.5152 -33.1134 PRESSAVG: 2307200 -4.55021 -22.0561 -36.6907 -22.0563 -5.32121 -15.1204 -36.6907 -15.1203 40.9125 GPRESSAVG: 2307200 -4.62881 -19.5372 -35.2847 -21.2904 -6.09458 -14.4049 -36.1687 -13.6889 41.5426 TIMING: 2307200 CPU: 6870.96, 0.00297975/step Wall: 6870.96, 0.00297975/step, 2.22885 hours remaining, 205.871094 MB of memory in use. ENERGY: 2307200 747.0423 2090.6097 1925.6478 118.5121 -206042.3322 17587.9332 0.0000 0.0000 34338.7707 -149233.8164 299.8890 -183572.5871 -149133.0735 299.6419 -113.8077 -82.9293 556790.4529 10.3470 10.2731 PRESSURE: 2307400 20.2667 -28.8655 72.9972 -28.8657 -55.9178 -7.87958 72.9973 -7.88003 -77.9157 GPRESSURE: 2307400 -0.927624 108.719 31.2052 -80.6853 -22.6366 -46.1592 50.187 -68.4209 -6.4614 PRESSAVG: 2307400 -27.6038 32.7392 16.1799 32.7393 21.0517 -56.7684 16.18 -56.7685 22.464 GPRESSAVG: 2307400 -28.4772 33.7192 14.1205 30.0709 21.9312 -56.1736 16.1164 -58.4976 22.0489 TIMING: 2307400 CPU: 6871.56, 0.00298422/step Wall: 6871.56, 0.00298423/step, 2.23203 hours remaining, 205.871094 MB of memory in use. ENERGY: 2307400 752.2397 2102.3811 1950.8503 113.3569 -205881.6897 17519.1307 0.0000 0.0000 34123.4450 -149320.2860 298.0085 -183443.7310 -149220.0973 299.4980 -37.8556 -10.0085 556390.8458 5.3040 5.1676 PRESSURE: 2307600 105.489 -54.2252 0.478747 -54.2261 89.5949 -84.0841 0.47893 -84.085 -143.629 GPRESSURE: 2307600 135.261 -89.8344 -24.319 -105.811 66.9471 -54.9852 30.3398 -97.0486 -56.1594 PRESSAVG: 2307600 30.1554 3.70756 -17.9228 3.70753 7.9574 -26.5028 -17.9228 -26.5026 -14.5245 GPRESSAVG: 2307600 30.029 4.68769 -18.4782 4.80222 7.58514 -25.8766 -20.2841 -25.163 -14.366 TIMING: 2307600 CPU: 6872.16, 0.0029758/step Wall: 6872.16, 0.0029758/step, 2.22557 hours remaining, 205.871094 MB of memory in use. ENERGY: 2307600 732.5619 2074.6590 1920.9811 120.2265 -206261.9098 17815.5473 0.0000 0.0000 34271.3970 -149326.5369 299.3006 -183597.9339 -149225.4844 299.1859 17.1515 48.6828 558314.3222 7.8628 7.7494 PRESSURE: 2307800 -108.233 32.3776 160.424 32.3777 -82.7471 173.622 160.424 173.623 163.093 GPRESSURE: 2307800 -18.6998 -20.2371 93.469 -24.2532 -111.315 159.502 151.293 107.066 185.664 PRESSAVG: 2307800 45.2822 32.0374 32.0375 32.0373 -20.9813 2.15546 32.0376 2.15548 -29.8633 GPRESSAVG: 2307800 45.2139 30.2642 33.0309 30.4031 -21.4411 0.547428 33.8968 1.04802 -30.0601 TIMING: 2307800 CPU: 6872.75, 0.00299021/step Wall: 6872.75, 0.00299021/step, 2.23618 hours remaining, 205.871094 MB of memory in use. ENERGY: 2307800 746.1212 2076.7338 1945.3292 113.1899 -206219.2519 17725.0449 0.0000 0.0000 34262.6175 -149350.2154 299.2240 -183612.8329 -149253.5073 299.1109 -9.2958 18.5498 556189.0839 -1.8541 -2.0958 PRESSURE: 2308000 33.8653 105.646 -16.6551 105.646 91.5934 66.8486 -16.6552 66.8488 231.91 GPRESSURE: 2308000 73.4205 122.906 -73.5038 181.22 175.047 111.625 24.8725 32.8517 204.084 PRESSAVG: 2308000 25.4077 -2.14182 0.144897 -2.14177 -21.4154 15.5565 0.14495 15.5564 -19.0083 GPRESSAVG: 2308000 25.0017 -0.967722 -1.05129 1.12539 -20.5618 16.3806 0.583479 13.894 -19.5201 TIMING: 2308000 CPU: 6873.35, 0.00298385/step Wall: 6873.35, 0.00298385/step, 2.23126 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: 2308000 721.2805 2088.9448 1959.6501 100.7423 -206409.8862 17970.0113 0.0000 0.0000 34206.1924 -149363.0648 298.7312 -183569.2571 -149265.9190 299.4113 119.1230 150.8506 556939.6754 -5.0053 -5.0268 PRESSURE: 2308200 -41.8508 87.5985 -54.8066 87.5992 -11.7821 262.127 -54.8071 262.126 2.88069 GPRESSURE: 2308200 15.4972 111.879 31.9468 113.688 -52.6582 278.658 -86.4519 239.617 75.4315 PRESSAVG: 2308200 -19.2747 -16.5974 87.9142 -16.5974 62.6879 27.0795 87.9141 27.0796 -22.5103 GPRESSAVG: 2308200 -18.8586 -17.9795 89.0432 -16.5117 62.6663 27.3773 87.2068 27.1026 -22.4192 TIMING: 2308200 CPU: 6873.94, 0.00296794/step Wall: 6873.94, 0.00296794/step, 2.2192 hours remaining, 205.871094 MB of memory in use. ENERGY: 2308200 757.8429 2115.1799 1940.5264 120.4538 -206274.0617 17909.2047 0.0000 0.0000 34255.2625 -149175.5916 299.1597 -183430.8540 -149077.9745 299.3476 -16.9174 12.7568 558030.9532 6.9676 7.1295 LDB: ============= START OF LOAD BALANCING ============== 6877.37 LDB: ============== END OF LOAD BALANCING =============== 6877.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6877.37 LDB: ============= START OF LOAD BALANCING ============== 6877.67 LDB: Largest compute 4849 load 0.026363 is 22.3% of average load 0.118001 LDB: Average compute 0.001727 is 1.5% of average load 0.118001 LDB: TIME 6877.68 LOAD: AVG 0.118001 MAX 0.206467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 6877.68 LOAD: AVG 0.118001 MAX 0.206467 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.074 MB LDB: TIME 6877.68 LOAD: AVG 0.118001 MAX 0.206467 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6877.68 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6877.68 PRESSURE: 2308400 138.389 47.105 35.2347 47.106 -180.479 -90.6267 35.2333 -90.6255 -275.942 GPRESSURE: 2308400 212.247 68.4421 62.6075 -15.4769 -168.653 -99.551 -0.499896 -32.8019 -261.751 PRESSAVG: 2308400 15.3412 34.5849 28.1895 34.585 -26.0591 -6.9977 28.1895 -6.99771 -11.3869 GPRESSAVG: 2308400 13.7272 34.9935 29.6403 33.5197 -24.5206 -7.07036 26.1417 -6.3999 -11.1967 TIMING: 2308400 CPU: 6874.55, 0.00304463/step Wall: 6874.55, 0.00304463/step, 2.27637 hours remaining, 206.199219 MB of memory in use. ENERGY: 2308400 704.4470 2133.4765 1956.1279 110.5094 -205908.2020 17653.1563 0.0000 0.0000 34203.7479 -149146.7369 298.7098 -183350.4849 -149043.5387 299.6500 -106.0110 -72.7190 556889.2001 -7.3682 -7.3300 PRESSURE: 2308600 -70.3583 65.9338 214.435 65.9343 -9.03165 89.6189 214.434 89.6188 142.018 GPRESSURE: 2308600 -49.7411 102.297 235.482 76.7674 1.69672 55.4424 168.495 162.368 194.1 PRESSAVG: 2308600 88.5914 62.0292 18.8897 62.0291 -39.688 -30.3651 18.8897 -30.3651 -12.217 GPRESSAVG: 2308600 91.0273 63.3791 17.0272 60.3883 -41.2823 -28.8006 20.9292 -29.9995 -12.481 TIMING: 2308600 CPU: 6875.15, 0.00299684/step Wall: 6875.15, 0.00299684/step, 2.24047 hours remaining, 206.199219 MB of memory in use. ENERGY: 2308600 761.4743 2086.0112 1965.6068 118.1365 -206189.9129 17936.7174 0.0000 0.0000 34170.1033 -149151.8634 298.4160 -183321.9667 -149061.7121 299.0661 20.8761 48.6852 557675.8181 12.2288 12.4213 PRESSURE: 2308800 -50.9445 -73.052 213.615 -73.0512 -225.636 33.826 213.615 33.8264 -5.25134 GPRESSURE: 2308800 -24.1673 -49.0564 111.91 -86.2339 -204.454 -20.8691 216.357 31.5444 33.2207 PRESSAVG: 2308800 5.41584 -13.4468 19.2081 -13.4467 -46.0599 26.0944 19.2081 26.0943 42.508 GPRESSAVG: 2308800 4.12265 -15.1454 18.6169 -12.4886 -45.5329 24.9459 19.7676 26.4587 43.5104 TIMING: 2308800 CPU: 6875.75, 0.00298364/step Wall: 6875.75, 0.00298364/step, 2.23044 hours remaining, 206.199219 MB of memory in use. ENERGY: 2308800 767.3489 2106.0450 1970.8537 107.2949 -206045.8229 17740.1574 0.0000 0.0000 34209.1781 -149144.9448 298.7573 -183354.1229 -149053.9036 299.8235 -93.9440 -65.1336 558322.6445 0.6213 0.7000 PRESSURE: 2309000 98.2883 -94.4792 -3.05611 -94.4804 58.6791 123.245 -3.05608 123.245 -149.508 GPRESSURE: 2309000 108.456 -14.2452 -84.4554 -98.6418 138.22 130.734 -12.3409 143.555 -137.503 PRESSAVG: 2309000 30.0152 -59.383 -18.1328 -59.3831 -4.36892 80.3401 -18.1328 80.3401 1.0545 GPRESSAVG: 2309000 29.614 -60.5934 -19.3951 -58.0861 -3.87909 79.1619 -18.1303 80.3459 0.818925 TIMING: 2309000 CPU: 6876.35, 0.00299556/step Wall: 6876.35, 0.00299556/step, 2.23918 hours remaining, 206.199219 MB of memory in use. ENERGY: 2309000 774.5804 2035.9079 1949.8940 113.8702 -206335.1871 17996.6528 0.0000 0.0000 34314.9362 -149149.3455 299.6809 -183464.2817 -149051.8385 299.8928 2.4866 36.3911 557076.2999 8.9003 8.8513 PRESSURE: 2309200 -40.1006 -47.0001 -63.8323 -46.9997 48.302 -88.2241 -63.8326 -88.2246 -47.1522 GPRESSURE: 2309200 -27.5552 -60.1551 -9.42425 52.0879 52.5743 -26.0981 -27.2047 -14.9667 26.1081 PRESSAVG: 2309200 -3.72202 2.61183 -2.68223 2.61182 45.3916 38.6243 -2.68234 38.6243 -42.9338 GPRESSAVG: 2309200 -3.92755 4.74722 -2.27968 1.48724 46.0848 38.9971 -3.86288 38.29 -43.4143 TIMING: 2309200 CPU: 6876.95, 0.00301015/step Wall: 6876.95, 0.00301015/step, 2.24992 hours remaining, 206.199219 MB of memory in use. ENERGY: 2309200 744.8746 2057.9327 1924.4758 106.0678 -206347.2064 17932.4720 0.0000 0.0000 34276.3545 -149305.0288 299.3439 -183581.3833 -149204.9484 299.0552 -12.9836 17.0424 558526.6080 -0.4214 -0.4190 PRESSURE: 2309400 51.9486 122.825 98.5004 122.823 -225.336 -6.98848 98.5018 -6.98811 -46.2777 GPRESSURE: 2309400 45.9144 33.0189 133.553 168.802 -182.398 -17.5425 93.7938 45.6614 4.72758 PRESSAVG: 2309400 -10.9662 -16.4044 -24.9013 -16.4045 10.6967 34.6872 -24.9013 34.6872 -45.6092 GPRESSAVG: 2309400 -10.6959 -17.6235 -23.525 -15.7641 9.86659 36.3203 -24.6315 33.3534 -44.5739 TIMING: 2309400 CPU: 6877.55, 0.00299078/step Wall: 6877.55, 0.00299078/step, 2.23528 hours remaining, 206.199219 MB of memory in use. ENERGY: 2309400 734.8927 2044.4319 1961.4000 107.7288 -206207.9555 17767.3627 0.0000 0.0000 34326.0357 -149266.1038 299.7778 -183592.1395 -149163.7973 299.1213 -73.2218 -43.9187 559885.9247 -15.2929 -15.1344 PRESSURE: 2309600 201.781 119 38.2308 119.001 36.5818 106.387 38.231 106.388 -104.833 GPRESSURE: 2309600 228.847 88.4712 28.0395 210.456 90.0613 -2.4012 31.4129 54.6738 -77.7448 PRESSAVG: 2309600 38.4254 -16.0051 15.8226 -16.0051 -0.922779 44.4012 15.8225 44.4013 4.94697 GPRESSAVG: 2309600 39.9006 -16.8238 16.4691 -15.3215 -1.04521 43.6445 17.4663 44.1148 3.41176 TIMING: 2309600 CPU: 6878.15, 0.00299594/step Wall: 6878.15, 0.00299594/step, 2.23896 hours remaining, 206.199219 MB of memory in use. ENERGY: 2309600 732.2304 2095.0560 1941.2871 108.5796 -206341.3583 17949.9358 0.0000 0.0000 34224.1889 -149290.0804 298.8884 -183514.2693 -149192.4067 299.2573 44.5100 80.3879 558005.2535 14.1499 14.0890 PRESSURE: 2309800 271.639 56.6302 -128.068 56.6297 -151.013 73.8135 -128.069 73.8139 26.9622 GPRESSURE: 2309800 273.283 45.0323 -119.859 12.8023 -105.503 125.678 -181.771 25.4548 93.098 PRESSAVG: 2309800 22.8948 28.8179 -28.2224 28.818 -53.9938 19.5233 -28.2223 19.5233 29.9578 GPRESSAVG: 2309800 21.7133 32.0145 -28.8213 26.4631 -53.9365 18.5642 -31.4669 21.5568 31.1005 TIMING: 2309800 CPU: 6878.75, 0.00298678/step Wall: 6878.75, 0.00298678/step, 2.23196 hours remaining, 206.199219 MB of memory in use. ENERGY: 2309800 721.2178 2079.2813 1955.7614 117.6539 -206327.4780 17849.7162 0.0000 0.0000 34375.2103 -149228.6371 300.2073 -183603.8475 -149134.8950 298.9158 49.1958 86.9594 557219.9213 -0.3804 -0.3742 PRESSURE: 2310000 -42.7103 74.6784 198.43 74.6768 26.3489 116.934 198.43 116.933 -129.919 GPRESSURE: 2310000 -17.1612 63.124 207.49 -44.0422 40.8161 140.012 186.078 90.46 -79.069 PRESSAVG: 2310000 -34.6055 9.00192 5.9758 9.00192 15.6303 -24.3081 5.97582 -24.308 -12.6803 GPRESSAVG: 2310000 -34.9746 5.78143 7.16359 10.2905 15.5348 -22.2969 7.40234 -25.0196 -12.8793 TIMING: 2310000 CPU: 6879.35, 0.00301237/step Wall: 6879.35, 0.00301237/step, 2.25091 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: 2310000 746.1441 2116.2797 1963.9210 115.2029 -206572.4212 17950.0322 0.0000 0.0000 34330.9523 -149349.8892 299.8207 -183680.8415 -149253.0228 299.2461 -48.7600 -18.4714 558260.0721 -10.5518 -10.7730 PRESSURE: 2310200 228.099 -100.351 -58.6585 -100.35 139.674 -8.66344 -58.6591 -8.66249 215.648 GPRESSURE: 2310200 258.817 -119.384 -69.1229 -134.495 191.834 52.2178 -48.5178 -42.9165 221.565 PRESSAVG: 2310200 -43.67 9.8198 40.96 9.81982 19.0289 5.16086 40.96 5.16069 -5.64129 GPRESSAVG: 2310200 -43.7318 10.8092 37.6569 10.1664 19.814 2.90382 42.4186 5.80112 -6.2563 TIMING: 2310200 CPU: 6879.95, 0.0030027/step Wall: 6879.95, 0.0030027/step, 2.24352 hours remaining, 206.199219 MB of memory in use. ENERGY: 2310200 751.4623 2040.8302 1972.9353 114.5209 -206292.2909 17960.4720 0.0000 0.0000 34208.9090 -149243.1612 298.7549 -183452.0702 -149142.4042 299.2602 194.4735 224.0718 556422.2246 -10.0942 -10.0580 PRESSURE: 2310400 -81.0634 -80.0158 -142.747 -80.016 77.2135 -57.0972 -142.748 -57.0961 25.9564 GPRESSURE: 2310400 -34.4405 -82.9263 -68.0641 -108.805 119.379 -59.3202 -85.63 -3.08798 35.2167 PRESSAVG: 2310400 -5.55333 -9.99817 -35.9802 -9.99828 39.8223 -73.2243 -35.9802 -73.2243 -2.16538 GPRESSAVG: 2310400 -5.97928 -8.34648 -33.2326 -10.4774 39.4502 -72.8607 -36.9619 -71.8644 -0.987118 TIMING: 2310400 CPU: 6880.55, 0.00300857/step Wall: 6880.55, 0.00300857/step, 2.24773 hours remaining, 206.199219 MB of memory in use. ENERGY: 2310400 733.0915 2062.3052 1953.2196 118.4845 -206640.6308 18045.2405 0.0000 0.0000 34249.4360 -149478.8536 299.1088 -183728.2895 -149379.8733 298.6518 7.3688 40.0516 558083.8118 10.7012 10.8279 PRESSURE: 2310600 -46.0707 44.9001 -183.1 44.8991 -173.937 -4.12453 -183.099 -4.12475 -107.18 GPRESSURE: 2310600 36.5344 28.5709 -146.857 96.5502 -165.794 28.5106 -229.097 -94.3862 -88.4113 PRESSAVG: 2310600 -10.4012 -24.3805 -10.3642 -24.3805 37.8537 -6.50604 -10.3642 -6.50601 -7.77515 GPRESSAVG: 2310600 -10.2391 -26.1714 -13.6346 -22.6706 37.7119 -6.07723 -10.1882 -8.55149 -8.12591 TIMING: 2310600 CPU: 6881.15, 0.0029936/step Wall: 6881.15, 0.0029936/step, 2.23638 hours remaining, 206.199219 MB of memory in use. ENERGY: 2310600 768.5638 2072.1155 1949.6891 120.8331 -206562.4969 17880.2820 0.0000 0.0000 34221.8912 -149549.1222 298.8683 -183771.0134 -149448.4117 299.1711 -109.0626 -72.5571 557627.2158 6.5591 6.4489 PRESSURE: 2310800 167.139 -70.0585 68.3817 -70.0575 144.477 -112.718 68.3813 -112.719 -57.4841 GPRESSURE: 2310800 230.314 -135.574 91.6012 -41.814 137.498 -74.8138 57.177 -88.6178 -25.1976 PRESSAVG: 2310800 35.5448 21.6788 -2.96105 21.6787 2.81251 -28.5752 -2.96108 -28.5752 -37.9403 GPRESSAVG: 2310800 35.5043 21.7133 0.0304643 21.7197 2.51674 -28.2521 -5.4858 -27.1167 -37.3438 TIMING: 2310800 CPU: 6881.75, 0.00299281/step Wall: 6881.75, 0.00299281/step, 2.23563 hours remaining, 206.199219 MB of memory in use. ENERGY: 2310800 739.5392 2106.1797 1968.3039 105.3858 -207146.2873 18292.2784 0.0000 0.0000 34398.5986 -149536.0017 300.4115 -183934.6002 -149438.4047 298.6010 84.7106 114.2045 555731.3534 0.1390 0.2257 PRESSURE: 2311000 -194.105 -42.7208 108.191 -42.7204 -94.3011 34.0026 108.191 34.002 -2.7114 GPRESSURE: 2311000 -169.491 -221.274 89.3176 66.0666 -25.8447 -35.1113 108.976 36.4882 -1.33149 PRESSAVG: 2311000 40.2561 -54.0805 -7.23042 -54.0805 81.9719 -7.68823 -7.23052 -7.68817 -77.8391 GPRESSAVG: 2311000 39.1731 -55.0173 -7.20535 -53.2189 82.1103 -6.7525 -5.9469 -7.82586 -77.321 TIMING: 2311000 CPU: 6882.34, 0.00298413/step Wall: 6882.34, 0.00298413/step, 2.22898 hours remaining, 206.199219 MB of memory in use. ENERGY: 2311000 724.2503 2055.0551 1943.2130 112.1735 -206205.7287 17724.6729 0.0000 0.0000 33893.7495 -149752.6143 296.0025 -183646.3638 -149653.6117 297.5300 -97.0391 -65.5558 558221.7357 14.7963 14.6542 PRESSURE: 2311200 -243.751 66.4778 -5.35418 66.4777 218.402 -97.2651 -5.35495 -97.2641 -205.123 GPRESSURE: 2311200 -166.345 90.6667 -111.569 82.4424 229.329 -79.2136 -24.9006 -80.1784 -192.397 PRESSAVG: 2311200 13.8981 17.0472 12.1857 17.0473 1.64341 -36.3514 12.1858 -36.3514 -30.8636 GPRESSAVG: 2311200 14.3965 16.709 10.4172 17.1676 1.02337 -36.3386 12.7872 -36.6082 -30.9715 TIMING: 2311200 CPU: 6882.94, 0.00295824/step Wall: 6882.94, 0.00295824/step, 2.20948 hours remaining, 206.199219 MB of memory in use. ENERGY: 2311200 755.7507 2051.3106 1942.1800 119.9991 -206425.5708 17787.6646 0.0000 0.0000 34279.9257 -149488.7401 299.3751 -183768.6658 -149388.6258 297.6632 -76.8240 -43.1377 559094.7189 -5.1074 -5.1839 PRESSURE: 2311400 -79.0679 -179.27 -42.8342 -179.27 113.386 53.5436 -42.8347 53.5432 37.8644 GPRESSURE: 2311400 -15.8304 -167.05 -171.492 -88.3803 110.418 131.222 -48.5187 33.9479 62.3895 PRESSAVG: 2311400 7.61078 34.2781 -47.6816 34.2781 -24.9004 -14.9604 -47.6816 -14.9604 -40.3176 GPRESSAVG: 2311400 8.7794 38.0159 -46.3614 32.1988 -24.9187 -14.8863 -49.3245 -15.5521 -41.1991 TIMING: 2311400 CPU: 6883.53, 0.00298534/step Wall: 6883.53, 0.00298534/step, 2.22955 hours remaining, 206.199219 MB of memory in use. ENERGY: 2311400 732.7565 2141.0787 1930.9270 122.4015 -206541.9888 17945.5271 0.0000 0.0000 34301.8451 -149367.4530 299.5665 -183669.2981 -149273.5442 298.6933 24.0608 52.3259 558989.2350 -19.2024 -19.1128 PRESSURE: 2311600 -171.675 -0.13828 69.5087 -0.138023 49.4518 140.429 69.5088 140.429 -20.4971 GPRESSURE: 2311600 -119.02 -21.5426 140.573 92.4328 74.2023 156.558 36.7806 75.3461 -11.9311 PRESSAVG: 2311600 -43.5717 1.38859 17.882 1.38854 41.341 8.80984 17.882 8.8098 35.8358 GPRESSAVG: 2311600 -44.9477 -0.796466 19.1546 0.412664 41.6426 7.25047 19.8741 10.6903 36.4134 TIMING: 2311600 CPU: 6884.14, 0.00302183/step Wall: 6884.14, 0.00302183/step, 2.25664 hours remaining, 206.199219 MB of memory in use. ENERGY: 2311600 736.6965 2153.3245 1967.2330 109.3706 -206083.0822 17725.5540 0.0000 0.0000 34143.0162 -149247.8874 298.1795 -183390.9035 -149152.6024 299.1675 -47.5733 -18.9163 558341.9631 11.2017 11.0361 PRESSURE: 2311800 -151.895 14.6378 -126.26 14.637 -173.751 77.2622 -126.26 77.262 -47.1277 GPRESSURE: 2311800 -108.892 4.29479 -103.994 -10.3606 -126.449 74.1442 -159.451 -18.5684 -33.0104 PRESSAVG: 2311800 -121.543 -12.4453 -16.3727 -12.4453 11.7163 -13.6185 -16.3726 -13.6186 35.6956 GPRESSAVG: 2311800 -121.879 -13.4027 -16.4936 -10.8022 13.3154 -12.3803 -18.0308 -14.9832 34.1495 TIMING: 2311800 CPU: 6884.74, 0.00302523/step Wall: 6884.74, 0.00302523/step, 2.259 hours remaining, 206.199219 MB of memory in use. ENERGY: 2311800 719.2947 2060.7027 1986.3656 107.0301 -205859.8032 17548.9632 0.0000 0.0000 34003.1428 -149434.3041 296.9579 -183437.4469 -149338.8555 299.1737 -124.2577 -89.4505 557828.4776 -24.7105 -24.8046 PRESSURE: 2312000 -401.769 -37.6562 22.8133 -37.6569 -104.367 -103.328 22.8123 -103.327 178.85 GPRESSURE: 2312000 -345.937 -67.9552 89.7519 -19.0233 -128.798 -95.6358 4.05818 -131.788 231.612 PRESSAVG: 2312000 -84.9254 5.15542 -9.45969 5.15544 0.643985 -31.8148 -9.45973 -31.8148 120.47 GPRESSAVG: 2312000 -84.6274 6.73398 -9.46314 3.83663 -0.444744 -33.2136 -7.16304 -30.7103 121.37 TIMING: 2312000 CPU: 6885.34, 0.00298781/step Wall: 6885.34, 0.00298781/step, 2.2309 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: 2312000 768.9731 2053.6972 1951.3982 123.0857 -205864.9867 17671.3852 0.0000 0.0000 33927.0520 -149369.3953 296.2934 -183296.4473 -149267.7497 298.8844 -109.0953 -81.0407 558305.0937 12.0629 12.0992 PRESSURE: 2312200 -56.0551 35.2061 -92.4588 35.2061 -55.5504 131.195 -92.4584 131.196 -22.4672 GPRESSURE: 2312200 -30.1412 90.5101 -109.878 76.8851 -10.4108 87.7229 -78.5086 99.9078 11.1447 PRESSAVG: 2312200 -66.6743 39.6851 -51.0218 39.6852 -38.7344 -13.3768 -51.0218 -13.3768 98.2314 GPRESSAVG: 2312200 -67.0126 40.6062 -51.4503 40.7058 -40.0499 -10.7283 -52.133 -13.7631 100.394 TIMING: 2312200 CPU: 6885.94, 0.00298093/step Wall: 6885.94, 0.00298093/step, 2.2256 hours remaining, 206.199219 MB of memory in use. ENERGY: 2312200 733.9800 2070.4997 1973.8801 120.5657 -206212.5448 17805.2700 0.0000 0.0000 34138.5983 -149369.7510 298.1409 -183508.3494 -149272.8995 299.5178 -44.6909 -9.8024 558247.2114 -2.3924 -2.2230 LDB: ============= START OF LOAD BALANCING ============== 6889.37 LDB: ============== END OF LOAD BALANCING =============== 6889.37 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6889.37 LDB: ============= START OF LOAD BALANCING ============== 6889.67 LDB: Largest compute 4849 load 0.027555 is 23.4% of average load 0.117981 LDB: Average compute 0.001722 is 1.5% of average load 0.117981 LDB: TIME 6889.67 LOAD: AVG 0.117981 MAX 0.203852 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.742 MB LDB: TIME 6889.67 LOAD: AVG 0.117981 MAX 0.203852 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: TIME 6889.67 LOAD: AVG 0.117981 MAX 0.203852 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6889.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6889.68 PRESSURE: 2312400 256.313 -11.202 -125.394 -11.2013 136.224 -9.43059 -125.393 -9.43134 -134.809 GPRESSURE: 2312400 321.465 15.8771 -160.408 34.8391 112.226 -39.0348 -91.7448 -18.288 -70.0241 PRESSAVG: 2312400 40.9127 43.4876 16.2147 43.4876 -38.099 -15.6751 16.2147 -15.6751 -3.15967 GPRESSAVG: 2312400 41.125 42.7472 16.798 42.6852 -37.8558 -18.2315 16.2374 -13.8562 -3.81149 TIMING: 2312400 CPU: 6886.55, 0.00306218/step Wall: 6886.55, 0.00306218/step, 2.28609 hours remaining, 206.511719 MB of memory in use. ENERGY: 2312400 735.5466 2179.6636 1978.1796 115.2473 -206379.0572 17781.0722 0.0000 0.0000 34253.4822 -149335.8657 299.1442 -183589.3479 -149243.4036 299.1920 85.9096 121.2222 557484.7002 -0.1153 -0.1808 PRESSURE: 2312600 21.8225 -53.0714 10.9606 -53.0709 -60.5965 186.275 10.961 186.275 69.8598 GPRESSURE: 2312600 54.0748 -40.6301 37.9559 -6.72221 6.48314 111.949 43.3769 152.194 78.7017 PRESSAVG: 2312600 -20.3286 36.3642 11.8543 36.3641 20.6545 -0.958587 11.8542 -0.958528 30.946 GPRESSAVG: 2312600 -20.3091 34.3087 10.7779 36.53 21.2895 2.14599 10.8467 -2.72606 30.2316 TIMING: 2312600 CPU: 6887.15, 0.00301294/step Wall: 6887.15, 0.00301294/step, 2.24916 hours remaining, 206.511719 MB of memory in use. ENERGY: 2312600 761.9819 2101.3120 1995.3499 105.2543 -206388.3626 17874.6108 0.0000 0.0000 33946.8368 -149603.0169 296.4662 -183549.8537 -149511.4575 298.8515 10.3619 46.4199 558186.6336 10.4240 10.4040 PRESSURE: 2312800 -154.387 -62.6603 259.628 -62.6599 -68.7222 -52.0384 259.627 -52.0378 51.671 GPRESSURE: 2312800 -102.041 -68.5265 275.586 -72.4166 -51.1713 -41.7626 262.19 -112.352 87.6162 PRESSAVG: 2312800 -70.8647 -30.9933 10.5732 -30.9934 17.8047 19.3881 10.5732 19.3881 2.20001 GPRESSAVG: 2312800 -70.8718 -29.9395 12.2714 -30.3372 17.6235 19.1071 9.94873 18.2563 2.34325 TIMING: 2312800 CPU: 6887.75, 0.00297131/step Wall: 6887.75, 0.00297131/step, 2.21792 hours remaining, 206.511719 MB of memory in use. ENERGY: 2312800 760.5927 2081.6779 1956.3994 114.2975 -206658.8511 17854.8304 0.0000 0.0000 34151.8959 -149739.1574 298.2570 -183891.0532 -149643.0686 297.8300 -57.1460 -21.8652 558624.9608 -16.9533 -16.9683 PRESSURE: 2313000 109.447 -5.79903 -73.2233 -5.80082 210.056 -77.5046 -73.2208 -77.5061 90.3138 GPRESSURE: 2313000 202.491 8.37918 -147.759 19.7282 248.34 -183.302 19.3364 54.8359 62.0604 PRESSAVG: 2313000 15.8946 -56.6067 14.5748 -56.6067 31.6778 -40.4126 14.5749 -40.4126 -7.00644 GPRESSAVG: 2313000 16.2654 -55.9762 13.1051 -57.3858 31.279 -41.7464 16.7649 -38.8662 -6.9232 TIMING: 2313000 CPU: 6888.34, 0.00296331/step Wall: 6888.34, 0.00296332/step, 2.21179 hours remaining, 206.511719 MB of memory in use. ENERGY: 2313000 736.6353 2065.4578 1968.2739 109.5889 -206648.9474 17927.2729 0.0000 0.0000 34139.2073 -149702.5114 298.1462 -183841.7187 -149603.8182 297.0150 136.6054 170.9639 555981.5255 13.5220 13.5404 PRESSURE: 2313200 -70.3813 34.4898 148.735 34.4899 -275.109 -112.308 148.734 -112.308 -293.073 GPRESSURE: 2313200 -17.4617 70.9084 210.444 -68.7165 -279.755 -61.1274 146.891 -100.105 -250.885 PRESSAVG: 2313200 -2.12641 -5.08028 -43.2516 -5.08031 9.58776 -16.6951 -43.2516 -16.6951 3.56577 GPRESSAVG: 2313200 -3.51125 -5.67773 -42.8334 -3.08127 10.4013 -16.0621 -45.0477 -17.9234 3.66532 TIMING: 2313200 CPU: 6888.94, 0.00299348/step Wall: 6888.94, 0.00299348/step, 2.23413 hours remaining, 206.511719 MB of memory in use. ENERGY: 2313200 767.9862 2078.0680 1934.0026 104.8323 -206272.3028 17530.6702 0.0000 0.0000 34258.0723 -149598.6713 299.1843 -183856.7436 -149502.8787 298.4649 -212.8543 -182.7007 557106.6669 3.6757 3.5185 PRESSURE: 2313400 -338.938 48.3773 -102.208 48.3779 35.1402 -8.98723 -102.208 -8.98717 63.754 GPRESSURE: 2313400 -325.331 27.8394 -90.2155 27.173 120.136 29.4229 -178.563 -54.9789 56.8387 PRESSAVG: 2313400 -3.60067 2.2307 -48.5185 2.23066 16.2607 29.4538 -48.5185 29.4537 -13.0799 GPRESSAVG: 2313400 -3.87815 2.69284 -50.947 0.658213 15.6669 29.6479 -47.0918 30.1418 -12.6497 TIMING: 2313400 CPU: 6889.53, 0.0029504/step Wall: 6889.53, 0.0029504/step, 2.20182 hours remaining, 206.511719 MB of memory in use. ENERGY: 2313400 742.0829 2072.8223 1949.6621 118.8427 -205998.6835 17634.0641 0.0000 0.0000 34045.1127 -149436.0968 297.3244 -183481.2095 -149339.6638 297.8694 -80.0145 -49.4520 555247.5870 -0.1400 -0.2870 PRESSURE: 2313600 -56.6694 -133.629 -5.81216 -133.629 -35.1466 -161.238 -5.81249 -161.239 -18.3435 GPRESSURE: 2313600 -17.3137 -96.1632 -25.8044 -162.603 -3.94834 -195.252 20.5954 -71.9094 5.06553 PRESSAVG: 2313600 11.2515 0.671641 57.2369 0.671634 -43.6738 -32.5071 57.2369 -32.5072 -10.6539 GPRESSAVG: 2313600 12.1463 1.88849 57.6141 -0.983199 -43.889 -33.6735 57.719 -31.0322 -11.0535 TIMING: 2313600 CPU: 6890.12, 0.00296902/step Wall: 6890.12, 0.00296902/step, 2.21555 hours remaining, 206.511719 MB of memory in use. ENERGY: 2313600 729.0002 2098.4116 1931.2586 112.9460 -206384.6938 17728.9581 0.0000 0.0000 34344.7665 -149439.3528 299.9414 -183784.1193 -149339.2836 299.0498 -36.7198 -5.3988 555976.1045 -14.3587 -14.2654 PRESSURE: 2313800 54.2792 -3.71216 9.91835 -3.71237 -216.79 29.0062 9.91899 29.0056 -149.147 GPRESSURE: 2313800 138.319 17.946 -41.5317 -7.7544 -208.806 -21.1524 68.9555 32.7501 -142.206 PRESSAVG: 2313800 69.5233 5.77854 41.4367 5.77862 -58.3078 24.6262 41.4366 24.6263 -39.0561 GPRESSAVG: 2313800 69.5527 4.88751 41.7755 5.49555 -58.4054 26.0456 40.1929 22.2981 -39.3359 TIMING: 2313800 CPU: 6890.72, 0.00298253/step Wall: 6890.72, 0.00298253/step, 2.22547 hours remaining, 206.511719 MB of memory in use. ENERGY: 2313800 788.6656 2092.0350 1924.6627 111.5306 -206224.3353 17819.9909 0.0000 0.0000 33929.9055 -149557.5450 296.3183 -183487.4505 -149464.7396 298.4785 -103.8859 -70.8975 556748.2034 -9.2802 -9.3962 PRESSURE: 2314000 116.561 141.917 50.7625 141.918 -73.3769 41.3592 50.7621 41.3588 -106.385 GPRESSURE: 2314000 139.919 96.8447 105.172 193.503 11.7387 122.161 -24.6376 28.6965 -119.596 PRESSAVG: 2314000 67.5288 88.5356 20.5005 88.5357 -30.3555 68.4572 20.5005 68.4571 -57.2309 GPRESSAVG: 2314000 66.2969 88.9216 21.2419 90.85 -30.4636 67.8616 20.2487 68.367 -56.0279 TIMING: 2314000 CPU: 6891.32, 0.00299944/step Wall: 6891.32, 0.00299944/step, 2.23791 hours remaining, 206.511719 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: 2314000 718.7209 2078.8273 1925.2701 110.9314 -206421.8309 17769.2556 0.0000 0.0000 34188.3679 -149630.4576 298.5755 -183818.8256 -149533.4131 298.1467 -21.0672 10.6873 556133.3674 -6.6859 -6.7315 PRESSURE: 2314200 -218.339 146.882 174.865 146.881 325.599 109.859 174.865 109.859 154.145 GPRESSURE: 2314200 -127.793 89.0076 110.124 116.244 247.643 153.643 180.596 6.3107 237.703 PRESSAVG: 2314200 30.2177 40.0078 25.4389 40.0078 17.9979 -6.7497 25.4389 -6.7498 -20.4846 GPRESSAVG: 2314200 32.0813 40.1677 24.5307 38.4902 17.0449 -6.42304 26.8341 -6.4179 -20.6184 TIMING: 2314200 CPU: 6891.91, 0.00298175/step Wall: 6891.91, 0.00298175/step, 2.22455 hours remaining, 206.511719 MB of memory in use. ENERGY: 2314200 717.0317 2010.6814 1944.6507 116.2468 -206284.4921 17905.1521 0.0000 0.0000 33985.2469 -149605.4825 296.8016 -183590.7294 -149506.0233 298.6169 87.1346 119.1843 557150.1988 9.2436 9.5026 PRESSURE: 2314400 55.3564 -292.967 -152.917 -292.967 125.934 -166.527 -152.916 -166.527 -168.456 GPRESSURE: 2314400 50.8361 -394.24 -151.733 -202.931 177.196 -94.7584 -164.216 -137.942 -117.061 PRESSAVG: 2314400 40.4159 42.412 13.3285 42.4119 -7.98047 -28.7766 13.3284 -28.7766 -50.3696 GPRESSAVG: 2314400 40.5254 39.9365 13.2642 45.1366 -7.30803 -27.9663 12.6095 -28.3367 -50.4829 TIMING: 2314400 CPU: 6892.51, 0.00297352/step Wall: 6892.51, 0.00297352/step, 2.21824 hours remaining, 206.511719 MB of memory in use. ENERGY: 2314400 737.6355 2055.1978 1933.9025 112.8535 -206315.9450 17862.5102 0.0000 0.0000 34199.0419 -149414.8036 298.6687 -183613.8455 -149315.5838 298.2237 4.2781 36.9903 558472.1126 -5.9781 -5.7552 PRESSURE: 2314600 -118.056 153.896 -106.134 153.896 -111.282 -44.4457 -106.134 -44.4472 -117.771 GPRESSURE: 2314600 -103.584 166.242 -68.3878 152.753 -97.9963 -39.783 -112.572 38.7073 -49.2807 PRESSAVG: 2314600 40.3023 34.9127 -68.2231 34.9127 -24.378 4.30443 -68.2231 4.30432 -8.64069 GPRESSAVG: 2314600 39.3864 37.0931 -65.8486 33.4207 -22.6366 3.62037 -70.4929 3.92564 -9.28531 TIMING: 2314600 CPU: 6893.11, 0.0029924/step Wall: 6893.11, 0.0029924/step, 2.23216 hours remaining, 206.511719 MB of memory in use. ENERGY: 2314600 744.8358 2110.5022 1942.6542 110.0668 -206101.6847 17642.0228 0.0000 0.0000 34182.2818 -149369.3211 298.5224 -183551.6029 -149276.8227 298.7926 -115.7031 -83.6203 557324.1079 2.4279 2.4882 PRESSURE: 2314800 -201.199 86.4557 -77.7974 86.4554 220.062 50.8395 -77.7981 50.8389 -17.0961 GPRESSURE: 2314800 -213.809 195.718 -186.015 -69.2503 268.61 11.2236 -43.6935 64.2757 29.5936 PRESSAVG: 2314800 22.4658 44.19 -16.2415 44.19 -51.9996 -8.3017 -16.2414 -8.30181 54.8946 GPRESSAVG: 2314800 23.3426 42.2948 -19.1032 44.9544 -53.4699 -10.4364 -13.9014 -6.04038 54.9906 TIMING: 2314800 CPU: 6893.7, 0.00297963/step Wall: 6893.7, 0.00297963/step, 2.22247 hours remaining, 206.511719 MB of memory in use. ENERGY: 2314800 765.0524 2044.2767 1960.1402 104.3876 -206363.4003 17923.7225 0.0000 0.0000 34321.3953 -149244.4257 299.7373 -183565.8210 -149151.5897 299.2087 0.5892 28.1313 557035.1827 8.4536 8.2878 PRESSURE: 2315000 -376.415 -246.78 156.415 -246.779 228.966 49.5949 156.416 49.5952 -98.5301 GPRESSURE: 2315000 -288.954 -289.469 199.334 -107.813 185.105 1.19092 148.484 6.21005 -38.0916 PRESSAVG: 2315000 -48.4771 -10.155 9.53044 -10.1549 50.2986 -9.7996 9.53041 -9.79965 -18.8352 GPRESSAVG: 2315000 -49.2776 -7.60074 10.2761 -11.505 50.3021 -6.7382 10.2406 -10.5614 -17.4076 TIMING: 2315000 CPU: 6894.3, 0.00296507/step Wall: 6894.3, 0.00296507/step, 2.21145 hours remaining, 206.511719 MB of memory in use. ENERGY: 2315000 762.6107 2041.6127 1943.9808 118.4686 -205887.1837 17610.6967 0.0000 0.0000 34378.3777 -149031.4364 300.2349 -183409.8141 -148937.8303 299.3485 -81.9930 -47.3138 557531.1977 -5.6712 -5.4610 PRESSURE: 2315200 -23.0517 204.786 -11.6303 204.788 -127.058 28.014 -11.629 28.0141 106.687 GPRESSURE: 2315200 -6.63545 230.589 -37.3966 166.618 -99.6747 -10.6364 -17.4702 -37.1756 159.131 PRESSAVG: 2315200 -1.60395 -37.499 2.29963 -37.499 -2.29739 -12.6594 2.29958 -12.6595 -66.5395 GPRESSAVG: 2315200 -0.836392 -38.0141 3.85786 -38.1611 -2.41242 -12.7316 2.2677 -13.3748 -67.3916 TIMING: 2315200 CPU: 6894.89, 0.00296734/step Wall: 6894.89, 0.00296734/step, 2.21298 hours remaining, 206.511719 MB of memory in use. ENERGY: 2315200 746.5062 2084.0420 1945.2998 103.3412 -205774.2445 17728.9111 0.0000 0.0000 34234.9871 -148931.1570 298.9827 -183166.1441 -148833.7436 300.0525 -14.4742 17.6069 558474.1868 -23.4803 -23.5468 PRESSURE: 2315400 12.2192 269.739 -61.2777 269.739 -256.933 -36.2303 -61.2783 -36.231 35.7542 GPRESSURE: 2315400 93.3826 250.86 0.999165 227.472 -212.193 -77.0762 -72.8838 -6.55447 4.11253 PRESSAVG: 2315400 -34.4951 20.279 3.20322 20.279 -55.4182 -19.8733 3.20315 -19.8734 43.926 GPRESSAVG: 2315400 -35.9636 19.7459 2.72542 22.0981 -55.5401 -19.6329 2.9056 -19.6572 44.9364 TIMING: 2315400 CPU: 6895.49, 0.00297937/step Wall: 6895.49, 0.00297937/step, 2.22179 hours remaining, 206.511719 MB of memory in use. ENERGY: 2315400 708.3369 2097.9525 1938.5228 106.9177 -206033.9845 17717.1010 0.0000 0.0000 34227.9199 -149237.2338 298.9209 -183465.1537 -149147.1161 298.8751 -69.6533 -38.2327 557917.5276 -15.3291 -15.5224 PRESSURE: 2315600 -239.019 -10.2186 6.84389 -10.2183 -64.2624 11.4387 6.84476 11.4399 62.2565 GPRESSURE: 2315600 -201.463 28.7714 -53.3287 -47.1036 -54.0161 -22.8979 36.5136 2.62119 107.573 PRESSAVG: 2315600 18.0387 -30.8676 43.2787 -30.8677 -60.1846 -34.1622 43.2788 -34.1621 42.8801 GPRESSAVG: 2315600 17.4336 -30.5601 42.8379 -31.5834 -59.8077 -35.0725 44.2161 -35.17 42.9798 TIMING: 2315600 CPU: 6896.08, 0.00297651/step Wall: 6896.08, 0.00297651/step, 2.21949 hours remaining, 206.511719 MB of memory in use. ENERGY: 2315600 735.4648 2089.1308 1943.6619 106.3354 -205816.3507 17569.1394 0.0000 0.0000 34239.0206 -149133.5976 299.0179 -183372.6183 -149043.4577 299.2695 -80.3417 -49.3022 556576.1486 0.2447 0.2019 PRESSURE: 2315800 210.066 136.278 36.8476 136.276 127.396 -246.496 36.8475 -246.495 179.689 GPRESSURE: 2315800 238.824 55.7602 -71.6355 137.728 146.482 -319.956 56.7173 -182.388 225.372 PRESSAVG: 2315800 -39.4332 -43.5901 7.30711 -43.5902 28.7602 25.5028 7.30715 25.5028 17.4914 GPRESSAVG: 2315800 -38.3415 -43.3445 5.54335 -42.2842 28.9763 23.6337 5.98002 26.1933 15.6332 TIMING: 2315800 CPU: 6896.68, 0.00298355/step Wall: 6896.68, 0.00298355/step, 2.22457 hours remaining, 206.511719 MB of memory in use. ENERGY: 2315800 732.7376 2035.5359 1964.9067 105.4237 -205991.9969 18019.1295 0.0000 0.0000 34076.2066 -149058.0569 297.5960 -183134.2636 -148962.1650 299.4646 172.3837 203.5596 557581.8919 2.2728 2.0893 PRESSURE: 2316000 -317.151 -216.194 104.644 -216.193 -363.891 -30.1803 104.645 -30.1813 -140.452 GPRESSURE: 2316000 -286.5 -182.65 119.761 -117.705 -306.702 -77.1771 56.6429 54.047 -130.917 PRESSAVG: 2316000 -14.331 8.40799 -17.5519 8.40797 -8.20914 -38.2168 -17.5519 -38.2168 35.5483 GPRESSAVG: 2316000 -14.4782 8.45977 -17.7017 5.59379 -9.50993 -36.758 -17.6592 -38.9546 36.8065 TIMING: 2316000 CPU: 6897.28, 0.00299485/step Wall: 6897.28, 0.00299485/step, 2.23283 hours remaining, 206.511719 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: 2316000 735.9087 2045.3253 1976.8761 121.0024 -205411.5568 17348.3001 0.0000 0.0000 34288.0433 -148896.1009 299.4460 -183184.1442 -148801.3922 299.2996 -273.8313 -241.3731 559927.8925 4.3360 4.2728 PRESSURE: 2316200 32.6998 20.7292 -146.594 20.7298 -16.2313 -29.9323 -146.594 -29.931 -2.79942 GPRESSURE: 2316200 97.4963 84.3236 -171.242 -34.9757 -8.33525 -144.435 -178.491 33.9361 19.5645 PRESSAVG: 2316200 -14.8054 -7.29658 -21.6798 -7.29655 4.38006 -32.3056 -21.6798 -32.3056 -5.48818 GPRESSAVG: 2316200 -14.7863 -7.10799 -19.8498 -4.92762 4.3077 -30.8188 -21.9225 -32.3902 -5.858 TIMING: 2316200 CPU: 6897.88, 0.00301154/step Wall: 6897.88, 0.00301154/step, 2.24511 hours remaining, 206.511719 MB of memory in use. ENERGY: 2316200 766.0883 2090.8277 1943.1401 108.3689 -205669.6209 17616.6533 0.0000 0.0000 34298.2525 -148846.2900 299.5352 -183144.5425 -148748.9413 300.2990 4.5564 36.2418 557511.2757 -5.3045 -5.4455 LDB: ============= START OF LOAD BALANCING ============== 6901.31 LDB: ============== END OF LOAD BALANCING =============== 6901.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6901.31 LDB: ============= START OF LOAD BALANCING ============== 6901.61 LDB: Largest compute 4849 load 0.027688 is 23.5% of average load 0.117996 LDB: Average compute 0.001724 is 1.5% of average load 0.117996 LDB: TIME 6901.62 LOAD: AVG 0.117996 MAX 0.204786 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.797 MB LDB: TIME 6901.62 LOAD: AVG 0.117996 MAX 0.204786 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: TIME 6901.62 LOAD: AVG 0.117996 MAX 0.204786 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: ============== END OF LOAD BALANCING =============== 6901.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6901.62 PRESSURE: 2316400 -153.356 -135.957 -40.8091 -135.956 -173.131 27.3169 -40.808 27.3168 89.7155 GPRESSURE: 2316400 -79.9335 -170.573 1.95111 -79.8799 -145.918 34.1017 -71.8119 34.7528 88.1411 PRESSAVG: 2316400 58.1613 -34.9381 -15.6639 -34.9381 -51.3372 -51.7334 -15.664 -51.7334 -35.5277 GPRESSAVG: 2316400 57.1135 -35.177 -15.3719 -35.2886 -50.7293 -54.121 -16.6787 -51.5099 -34.5912 TIMING: 2316400 CPU: 6898.49, 0.00306865/step Wall: 6898.49, 0.00306865/step, 2.28751 hours remaining, 207.019531 MB of memory in use. ENERGY: 2316400 729.3724 2036.3689 1953.9457 106.7672 -205967.1275 17651.7123 0.0000 0.0000 34579.5927 -148909.3683 301.9922 -183488.9610 -148810.6259 299.9243 -78.9236 -45.9035 556874.6824 -9.5679 -9.4023 PRESSURE: 2316600 -59.8411 -45.0448 -115.789 -45.0445 -66.4498 -206.299 -115.787 -206.301 -211.786 GPRESSURE: 2316600 -4.34059 -74.5202 -40.6011 14.7427 -64.8887 -136.42 -44.5186 -276.431 -170.25 PRESSAVG: 2316600 41.1117 18.3618 -22.4972 18.3617 14.8406 -23.4423 -22.4972 -23.4423 -22.7025 GPRESSAVG: 2316600 42.9756 18.0893 -24.696 21.1207 13.9937 -21.6714 -21.0966 -24.44 -23.2499 TIMING: 2316600 CPU: 6899.09, 0.0029944/step Wall: 6899.09, 0.0029944/step, 2.23199 hours remaining, 207.019531 MB of memory in use. ENERGY: 2316600 760.0350 1978.2017 1947.3402 109.2375 -206058.5949 17774.4975 0.0000 0.0000 34429.7890 -149059.4940 300.6839 -183489.2830 -148966.8344 300.7892 -112.6923 -79.8264 557244.2979 11.0833 11.2398 PRESSURE: 2316800 -42.3343 26.0692 -125.055 26.069 -71.3366 36.5184 -125.056 36.5196 -107.918 GPRESSURE: 2316800 -21.8256 61.5614 -147.198 109.675 -39.3254 56.6158 -57.8179 83.1942 -70.616 PRESSAVG: 2316800 -41.952 4.85319 -19.9699 4.85316 2.99882 23.7608 -19.9699 23.7608 55.7111 GPRESSAVG: 2316800 -42.3992 4.80969 -15.7118 4.8063 3.83709 22.226 -22.808 24.4551 55.3592 TIMING: 2316800 CPU: 6899.69, 0.00298944/step Wall: 6899.69, 0.00298944/step, 2.22813 hours remaining, 207.019531 MB of memory in use. ENERGY: 2316800 725.1510 2017.8314 1956.0774 114.2169 -206166.8816 17833.6684 0.0000 0.0000 34471.6840 -149048.2525 301.0498 -183519.9366 -148957.6493 299.6533 -73.8629 -43.9223 557413.4260 5.5860 5.5990 PRESSURE: 2317000 169.347 141.508 -132.605 141.509 188.858 12.6782 -132.605 12.6777 123.519 GPRESSURE: 2317000 204.872 145.676 -29.7264 100.532 274.425 49.7314 -156.231 4.59359 106.268 PRESSAVG: 2317000 7.50759 26.7976 5.94755 26.7976 50.7288 45.146 5.94746 45.146 -62.033 GPRESSAVG: 2317000 8.26559 27.4146 3.9562 25.9518 50.7348 45.6805 8.95637 46.4294 -62.8896 TIMING: 2317000 CPU: 6900.29, 0.00300106/step Wall: 6900.29, 0.00300106/step, 2.23662 hours remaining, 207.019531 MB of memory in use. ENERGY: 2317000 708.7222 2087.4228 1949.7918 109.7266 -206202.2727 17853.2015 0.0000 0.0000 34338.0390 -149155.3689 299.8826 -183493.4079 -149057.5694 299.9853 160.5745 195.1885 556289.3299 -1.2655 -1.2964 PRESSURE: 2317200 55.8159 77.4266 217.627 77.4267 -6.39325 -9.84037 217.628 -9.84029 193.529 GPRESSURE: 2317200 129.765 57.1106 231.563 122.851 16.2157 -0.307481 159.903 20.6316 184.924 PRESSAVG: 2317200 -11.1541 13.5463 -19.7467 13.5463 -28.5207 -9.604 -19.7468 -9.60405 8.01134 GPRESSAVG: 2317200 -10.7553 13.6816 -19.4427 11.7674 -29.0187 -10.1218 -20.8678 -10.8717 7.7147 TIMING: 2317200 CPU: 6900.89, 0.00299401/step Wall: 6900.89, 0.00299401/step, 2.2312 hours remaining, 207.019531 MB of memory in use. ENERGY: 2317200 704.4310 2121.7535 1944.5989 123.9191 -206211.0490 17844.1765 0.0000 0.0000 34404.1198 -149068.0502 300.4597 -183472.1700 -148974.9820 299.3015 80.9839 110.3017 556104.7884 -10.5545 -10.6864 PRESSURE: 2317400 7.35274 24.1697 52.1295 24.1691 -91.0114 76.1606 52.128 76.1597 -9.6797 GPRESSURE: 2317400 40.9367 35.0545 96.589 34.6893 -51.3502 115.868 28.0804 133.892 5.51724 PRESSAVG: 2317400 -24.9646 17.6071 62.7353 17.6071 -41.2466 -0.628058 62.7352 -0.628115 71.7401 GPRESSAVG: 2317400 -25.0431 17.1991 60.6819 19.4584 -41.7375 -0.230045 61.6625 0.0182087 73.0491 TIMING: 2317400 CPU: 6901.49, 0.00298988/step Wall: 6901.49, 0.00298988/step, 2.22796 hours remaining, 207.019531 MB of memory in use. ENERGY: 2317400 756.7661 2047.0127 1951.7803 110.2615 -205949.2552 17773.8767 0.0000 0.0000 34284.5214 -149025.0366 299.4153 -183309.5580 -148931.0803 299.5295 -31.1128 -1.6321 557446.3429 1.8430 2.0895 PRESSURE: 2317600 66.2965 104.688 154.623 104.688 -93.8208 175.943 154.622 175.943 42.2561 GPRESSURE: 2317600 162.051 73.5092 145.24 109.131 -35.3689 150.675 67.4932 122.625 -15.0203 PRESSAVG: 2317600 25.8198 -18.8367 24.5436 -18.8367 23.1146 12.2589 24.5436 12.2589 -10.2086 GPRESSAVG: 2317600 25.3893 -17.5306 26.1333 -19.8282 24.13 11.2509 24.9981 13.1096 -10.4481 TIMING: 2317600 CPU: 6902.09, 0.00300711/step Wall: 6902.09, 0.00300711/step, 2.24063 hours remaining, 207.019531 MB of memory in use. ENERGY: 2317600 717.9219 2093.4488 1954.0500 120.4480 -205953.8753 17706.0510 0.0000 0.0000 34385.4705 -148976.4852 300.2969 -183361.9556 -148880.0349 299.4634 4.9106 37.2205 557929.4235 12.9086 13.0237 PRESSURE: 2317800 325.945 97.8534 -18.7405 97.8541 -146.189 -113.864 -18.7392 -113.865 63.2235 GPRESSURE: 2317800 322.186 104.317 50.5445 87.7842 -118.254 -151.406 -15.5365 -87.2004 141.261 PRESSAVG: 2317800 45.6482 13.7973 45.167 13.7973 66.9636 -3.2368 45.167 -3.23686 -64.6853 GPRESSAVG: 2317800 46.5338 13.3144 45.2243 12.3052 66.066 -0.795448 46.0869 -3.16051 -65.8451 TIMING: 2317800 CPU: 6902.68, 0.00298454/step Wall: 6902.68, 0.00298454/step, 2.22364 hours remaining, 207.019531 MB of memory in use. ENERGY: 2317800 698.4193 2065.3250 1945.6420 112.7835 -205792.6069 17726.8605 0.0000 0.0000 34251.2370 -148992.3395 299.1246 -183243.5765 -148898.2198 299.5200 80.9932 115.0642 557555.3442 15.9755 15.5849 PRESSURE: 2318000 -208.074 -80.0885 -44.3012 -80.0884 203.489 -32.0995 -44.3005 -32.0994 285.675 GPRESSURE: 2318000 -127.821 -79.4094 -80.5993 -65.4465 268.102 -42.7836 11.1658 -70.9182 225.212 PRESSAVG: 2318000 -5.5936 -62.1883 13.7143 -62.1883 39.0712 -38.1619 13.7142 -38.1617 -18.1489 GPRESSAVG: 2318000 -6.01445 -62.572 11.7649 -60.6328 39.016 -37.6693 15.0601 -39.5668 -17.8364 TIMING: 2318000 CPU: 6903.28, 0.00299125/step Wall: 6903.28, 0.00299125/step, 2.22848 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: 2318000 734.9960 2037.1974 1941.4020 114.4761 -206186.1416 17901.4544 0.0000 0.0000 34297.4878 -149159.1279 299.5285 -183456.6157 -149065.4173 299.6046 93.6966 121.8312 557893.5938 5.1095 5.0551 PRESSURE: 2318200 97.9356 -108.703 -21.4555 -108.703 -31.9865 95.2027 -21.4556 95.2031 -75.2343 GPRESSURE: 2318200 97.8823 -73.7825 14.3809 -115.935 -18.5653 39.3538 -4.7806 168.383 16.8372 PRESSAVG: 2318200 -12.5091 -15.4558 -34.6535 -15.4558 -36.4499 30.9674 -34.6535 30.9674 57.1001 GPRESSAVG: 2318200 -12.6847 -15.673 -32.1515 -15.4629 -36.4374 29.8006 -37.6694 30.8538 56.8771 TIMING: 2318200 CPU: 6903.88, 0.0029886/step Wall: 6903.88, 0.0029886/step, 2.22634 hours remaining, 207.019531 MB of memory in use. ENERGY: 2318200 723.4956 1983.5806 1952.2928 107.3736 -205879.7242 17632.5651 0.0000 0.0000 34323.9110 -149156.5054 299.7593 -183480.4164 -149059.8849 298.9141 -3.0951 32.0514 558728.6495 2.7137 2.5850 PRESSURE: 2318400 -196.391 7.62507 -65.8993 7.62524 35.957 -50.7827 -65.8984 -50.7832 -95.3377 GPRESSURE: 2318400 -163.782 110.445 -26.902 -106.689 65.3524 -106.615 -104.747 -70.2322 -44.8117 PRESSAVG: 2318400 55.0085 -14.5559 -3.5478 -14.5559 -21.7175 -48.6393 -3.54778 -48.6392 -65.8974 GPRESSAVG: 2318400 54.7304 -13.6147 -3.04113 -16.7173 -21.4714 -47.4997 -2.51105 -50.8758 -65.7096 TIMING: 2318400 CPU: 6904.47, 0.00296371/step Wall: 6904.47, 0.00296371/step, 2.20764 hours remaining, 207.019531 MB of memory in use. ENERGY: 2318400 712.5945 2093.9667 1932.6233 119.2997 -206126.5292 17747.3845 0.0000 0.0000 34248.0558 -149272.6046 299.0968 -183520.6605 -149175.0718 298.6891 -85.2573 -47.7471 557168.9445 -10.8688 -10.8169 PRESSURE: 2318600 54.457 -49.9968 -93.1639 -49.9965 -24.7906 123.67 -93.1634 123.67 -101.019 GPRESSURE: 2318600 -28.1587 -124.392 -125.795 -21.6668 12.8217 144.026 -113.75 129.146 33.7121 PRESSAVG: 2318600 32.8788 -30.3218 79.0026 -30.3218 -68.2434 3.08098 79.0026 3.08097 0.180525 GPRESSAVG: 2318600 33.3033 -31.9922 79.153 -27.7396 -68.5726 2.61795 77.9992 5.50594 0.543332 TIMING: 2318600 CPU: 6905.07, 0.00298833/step Wall: 6905.07, 0.00298833/step, 2.2258 hours remaining, 207.019531 MB of memory in use. ENERGY: 2318600 735.5851 2083.3892 1942.4307 132.3657 -205951.7999 17622.1811 0.0000 0.0000 34128.3800 -149307.4681 298.0516 -183435.8481 -149215.6264 298.2871 -23.7843 6.1250 557749.3535 -11.7280 -11.5753 PRESSURE: 2318800 36.5064 -37.6923 101.296 -37.6921 -320.626 -112.333 101.295 -112.332 -69.5021 GPRESSURE: 2318800 47.4375 -78.034 -17.4695 -24.2853 -223.398 -64.4456 168.604 -85.8336 -82.3697 PRESSAVG: 2318800 50.1987 -24.0265 29.0768 -24.0264 -34.2722 40.3555 29.0768 40.3556 -63.436 GPRESSAVG: 2318800 50.3937 -23.2495 27.5534 -24.654 -32.5935 41.0794 30.0628 39.3245 -65.3771 TIMING: 2318800 CPU: 6905.67, 0.00297557/step Wall: 6905.67, 0.00297557/step, 2.21614 hours remaining, 207.019531 MB of memory in use. ENERGY: 2318800 760.6761 2086.7668 1976.3181 108.8880 -206554.0681 17869.3284 0.0000 0.0000 34538.4901 -149213.6006 301.6332 -183752.0907 -149115.9541 299.2332 -117.8740 -86.1102 558747.2995 -15.8365 -15.8590 PRESSURE: 2319000 45.4674 -15.3831 -22.4301 -15.3834 -54.8502 118.928 -22.4305 118.928 83.1786 GPRESSURE: 2319000 45.2021 108.485 7.31363 28.6756 -42.0554 147.874 -35.333 92.1022 158.211 PRESSAVG: 2319000 0.470562 -17.1247 19.799 -17.1247 -7.5106 -0.481916 19.799 -0.481773 37.1406 GPRESSAVG: 2319000 0.913102 -15.0056 20.0058 -16.9557 -9.017 -1.78366 20.1585 0.164634 37.7214 TIMING: 2319000 CPU: 6906.26, 0.00297673/step Wall: 6906.26, 0.00297673/step, 2.21683 hours remaining, 207.019531 MB of memory in use. ENERGY: 2319000 777.0144 2070.1046 1937.8812 117.7774 -206220.5818 17947.2185 0.0000 0.0000 33996.0780 -149374.5077 296.8962 -183370.5858 -149277.7088 299.4651 24.5986 53.7858 557519.7021 10.0335 9.8725 PRESSURE: 2319200 -59.3435 4.25587 178.321 4.25648 -9.93779 -102.749 178.321 -102.747 240.816 GPRESSURE: 2319200 4.89325 17.6286 93.5738 -92.3911 15.8516 -98.2001 126.482 -118.645 257.895 PRESSAVG: 2319200 30.038 48.2777 -23.9143 48.2777 -13.86 32.5948 -23.9143 32.595 -0.598562 GPRESSAVG: 2319200 29.8308 46.6573 -24.0136 48.4517 -12.4714 29.4697 -22.6294 35.3494 -1.91396 TIMING: 2319200 CPU: 6906.86, 0.00297843/step Wall: 6906.86, 0.00297843/step, 2.21794 hours remaining, 207.019531 MB of memory in use. ENERGY: 2319200 727.8738 2023.7766 1918.1897 129.1427 -206538.5253 18037.3094 0.0000 0.0000 34272.4302 -149429.8029 299.3097 -183702.2331 -149328.8516 298.7576 57.1783 92.8800 556596.1155 5.1931 5.1485 PRESSURE: 2319400 78.202 -75.0917 -19.459 -75.0926 71.472 -36.4951 -19.4584 -36.4965 -14.9706 GPRESSURE: 2319400 82.324 -95.8761 40.3148 9.26572 137.146 -45.2351 0.27303 -15.2527 23.0328 PRESSAVG: 2319400 -29.0832 -3.73077 2.65674 -3.73082 67.5654 3.1563 2.6567 3.15626 -19.714 GPRESSAVG: 2319400 -29.0027 -4.30794 5.18626 -3.59383 64.4576 6.94532 -0.245823 -0.0197027 -16.8881 TIMING: 2319400 CPU: 6907.46, 0.00300094/step Wall: 6907.46, 0.00300094/step, 2.23453 hours remaining, 207.019531 MB of memory in use. ENERGY: 2319400 747.6076 2065.6395 1915.3577 111.8147 -206393.8949 17921.6858 0.0000 0.0000 34151.8180 -149479.9716 298.2563 -183631.7896 -149377.7107 298.0895 44.9011 80.8343 556924.6179 6.2561 6.1889 PRESSURE: 2319600 105.19 50.4003 71.7537 50.4013 225.904 101.99 71.7555 101.99 -78.3079 GPRESSURE: 2319600 117.899 78.7864 20.978 21.6456 253.922 101.625 53.6836 112.998 -24.2444 PRESSAVG: 2319600 -15.0101 -3.01407 17.1966 -3.01402 26.8824 34.3746 17.1966 34.3746 -57.2649 GPRESSAVG: 2319600 -15.921 -2.14228 16.7355 -3.1053 29.2332 33.678 15.0644 34.2728 -58.3531 TIMING: 2319600 CPU: 6908.05, 0.00297441/step Wall: 6908.05, 0.00297441/step, 2.21461 hours remaining, 207.019531 MB of memory in use. ENERGY: 2319600 742.2422 2101.6703 1929.3016 120.9022 -206860.4120 18079.1900 0.0000 0.0000 34302.0414 -149585.0643 299.5683 -183887.1058 -149487.4708 298.7112 84.2620 115.8587 555961.2920 -15.1308 -15.0136 PRESSURE: 2319800 -330.384 167.959 -72.3159 167.961 -54.9143 -64.7903 -72.3166 -64.7926 -126.815 GPRESSURE: 2319800 -296.694 167.343 -43.0179 222.734 -53.9302 -73.8258 -152.338 -89.1549 -79.8368 PRESSAVG: 2319800 -28.1655 22.3801 8.77449 22.3801 37.8175 -30.0855 8.7745 -30.0856 -3.01462 GPRESSAVG: 2319800 -27.839 23.7238 7.61319 21.3907 37.6362 -30.684 11.6382 -30.3747 -2.75817 TIMING: 2319800 CPU: 6908.65, 0.00297897/step Wall: 6908.65, 0.00297897/step, 2.21784 hours remaining, 207.019531 MB of memory in use. ENERGY: 2319800 805.3827 2081.5116 1938.0295 127.2834 -206437.6583 17717.3283 0.0000 0.0000 33987.3500 -149780.7729 296.8200 -183768.1229 -149685.9994 297.6916 -170.7042 -143.4871 556090.5733 2.2125 2.3464 PRESSURE: 2320000 -80.4404 -94.392 136.129 -94.3927 -31.6667 -219.81 136.129 -219.809 -197.902 GPRESSURE: 2320000 -75.5091 -101.442 120.212 -69.7077 4.13443 -171.897 169.596 -250.674 -137.853 PRESSAVG: 2320000 -12.9309 0.831615 10.0407 0.831633 -13.2172 77.2802 10.0408 77.2802 -15.0266 GPRESSAVG: 2320000 -13.2701 0.0332355 8.67879 2.63796 -12.8917 78.2774 8.98504 77.1461 -14.6337 TIMING: 2320000 CPU: 6909.24, 0.00296579/step Wall: 6909.24, 0.00296579/step, 2.20787 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: 2320000 753.9805 2030.1409 1926.7109 128.5593 -206396.4752 17795.8694 0.0000 0.0000 33898.8682 -149862.3459 296.0472 -183761.2141 -149758.7399 296.6090 -103.3363 -69.7426 557335.4931 -13.7249 -13.5985 PRESSURE: 2320200 84.0771 -6.16398 107.162 -6.16406 -275.482 140.005 107.161 140.005 -13.224 GPRESSURE: 2320200 114.54 -17.2736 62.7419 -24.4036 -216.756 186.137 117.344 189.417 -13.7852 PRESSAVG: 2320200 38.66 12.9751 21.7782 12.9751 29.9333 50.7923 21.7781 50.7923 -50.8463 GPRESSAVG: 2320200 40.4398 12.4734 24.5563 12.7135 28.6826 48.128 23.4422 50.4642 -51.0045 TIMING: 2320200 CPU: 6909.84, 0.00299104/step Wall: 6909.84, 0.00299104/step, 2.2265 hours remaining, 207.019531 MB of memory in use. ENERGY: 2320200 735.7016 2053.8391 1949.2588 106.9213 -206667.0006 17745.1651 0.0000 0.0000 34063.5042 -150012.6105 297.4851 -184076.1147 -149913.4281 297.0813 -68.2097 -38.6671 555814.8549 5.9157 6.0393 LDB: ============= START OF LOAD BALANCING ============== 6913.27 LDB: ============== END OF LOAD BALANCING =============== 6913.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6913.27 LDB: ============= START OF LOAD BALANCING ============== 6913.57 LDB: Largest compute 4849 load 0.027143 is 23.0% of average load 0.118029 LDB: Average compute 0.001728 is 1.5% of average load 0.118029 LDB: TIME 6913.57 LOAD: AVG 0.118029 MAX 0.203653 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.562 MB LDB: TIME 6913.57 LOAD: AVG 0.118029 MAX 0.203653 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.562 MB LDB: TIME 6913.57 LOAD: AVG 0.118029 MAX 0.203653 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.562 MB LDB: ============== END OF LOAD BALANCING =============== 6913.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6913.58 PRESSURE: 2320400 -379.33 56.5354 -43.7281 56.5347 -183.908 -68.5247 -43.7273 -68.5232 -514.542 GPRESSURE: 2320400 -321.319 63.5715 -76.0346 61.064 -219.074 -17.9612 43.1728 -171.018 -448.774 PRESSAVG: 2320400 74.4839 73.9102 -9.54861 73.9103 -9.91857 -9.61932 -9.54863 -9.61925 -84.9866 GPRESSAVG: 2320400 72.6028 72.6794 -12.3733 72.8399 -8.78683 -8.05558 -9.23684 -8.38372 -83.9754 TIMING: 2320400 CPU: 6910.45, 0.00303667/step Wall: 6910.45, 0.00303667/step, 2.2603 hours remaining, 206.234375 MB of memory in use. ENERGY: 2320400 774.8961 2100.7189 1947.9475 130.6418 -206408.8531 17446.9033 0.0000 0.0000 34094.7442 -149913.0013 297.7579 -184007.7455 -149803.2882 297.7508 -359.2600 -329.7224 557387.7785 -6.8071 -6.7198 PRESSURE: 2320600 -287.956 206.774 75.7904 206.772 -88.4469 17.4343 75.79 17.4323 -409.517 GPRESSURE: 2320600 -314.586 292.721 161.227 190.221 -113.079 -31.8829 50.4139 63.335 -260.305 PRESSAVG: 2320600 6.09161 31.4527 -15.2576 31.4527 15.7719 12.6146 -15.2577 12.6147 -42.8389 GPRESSAVG: 2320600 6.36426 32.7857 -12.596 29.9996 16.1827 13.3571 -16.1116 10.2165 -43.6336 TIMING: 2320600 CPU: 6911.04, 0.00299286/step Wall: 6911.04, 0.00299286/step, 2.22752 hours remaining, 206.234375 MB of memory in use. ENERGY: 2320600 754.1668 2088.0508 1918.4248 123.2147 -206501.0299 17594.4840 0.0000 0.0000 34323.9374 -149698.7514 299.7595 -184022.6888 -149597.0034 298.4186 -261.9732 -229.3237 557517.9946 -6.9918 -7.0289 PRESSURE: 2320800 -89.3094 -96.6144 -70.6959 -96.6144 -151.177 116.182 -70.6956 116.18 -29.934 GPRESSURE: 2320800 -37.3323 -101.894 -82.2261 -139.081 -125.888 167.779 -83.5258 58.8518 10.337 PRESSAVG: 2320800 38.3091 -37.1831 0.265915 -37.1832 -39.5939 19.1074 0.265854 19.1072 7.41354 GPRESSAVG: 2320800 38.2219 -36.2706 -1.05315 -36.5789 -39.368 16.1912 -0.350905 20.159 8.10973 TIMING: 2320800 CPU: 6911.65, 0.00301866/step Wall: 6911.65, 0.00301866/step, 2.24656 hours remaining, 206.234375 MB of memory in use. ENERGY: 2320800 766.4647 2052.8008 1958.1111 119.1203 -206667.5346 17986.4158 0.0000 0.0000 34147.1763 -149637.4456 298.2158 -183784.6218 -149537.5800 298.5806 -90.1400 -50.9610 557885.4224 2.0429 2.3212 PRESSURE: 2321000 -66.936 10.6967 -50.6141 10.6975 -30.9606 187.861 -50.6138 187.861 -99.7964 GPRESSURE: 2321000 -59.4999 34.2297 -15.7806 -104.869 39.2192 253.585 13.0105 140.698 -71.908 PRESSAVG: 2321000 -75.1588 -55.2884 -10.677 -55.2883 89.9275 62.5727 -10.6771 62.5725 6.82085 GPRESSAVG: 2321000 -73.5003 -55.7386 -7.61853 -55.8221 87.9646 62.5806 -12.4125 63.8985 7.35477 TIMING: 2321000 CPU: 6912.26, 0.00304604/step Wall: 6912.26, 0.00304604/step, 2.26676 hours remaining, 206.234375 MB of memory in use. ENERGY: 2321000 746.2857 2085.0509 1942.7166 109.5788 -206473.0901 17743.9537 0.0000 0.0000 34452.4245 -149393.0799 300.8816 -183845.5044 -149295.4782 299.2661 -65.8976 -30.7296 559234.0117 7.1965 7.2730 PRESSURE: 2321200 89.4172 37.6134 -27.3015 37.6135 222.926 125.018 -27.3011 125.017 136.673 GPRESSURE: 2321200 131.348 38.3086 -74.1366 99.1793 240.14 68.6025 -34.1279 91.0953 159.674 PRESSAVG: 2321200 -1.55378 1.52786 -7.89077 1.52794 26.5426 12.2583 -7.89082 12.2583 -61.4406 GPRESSAVG: 2321200 -1.70055 0.431006 -11.7013 4.68046 28.4586 16.2546 -5.08152 10.3815 -62.9067 TIMING: 2321200 CPU: 6912.86, 0.00302662/step Wall: 6912.86, 0.00302662/step, 2.25214 hours remaining, 206.234375 MB of memory in use. ENERGY: 2321200 734.3781 2062.2018 1982.7838 111.5603 -206790.8127 18224.9365 0.0000 0.0000 34258.5290 -149416.4232 299.1883 -183674.9522 -149318.1736 298.7668 149.6720 177.0539 557208.7400 -12.1506 -12.0495 PRESSURE: 2321400 256.716 -74.0826 152.841 -74.0829 193.465 68.9698 152.841 68.9687 18.9815 GPRESSURE: 2321400 257.889 -75.9592 177.337 -141.173 212.162 80.0206 172.089 46.9554 98.2836 PRESSAVG: 2321400 -59.0559 45.2807 -34.5285 45.2808 79.462 43.9145 -34.5286 43.9144 4.90143 GPRESSAVG: 2321400 -58.9585 45.9432 -30.7492 44.0222 77.4233 40.8148 -34.3504 45.4802 7.08225 TIMING: 2321400 CPU: 6913.46, 0.0030033/step Wall: 6913.46, 0.0030033/step, 2.23462 hours remaining, 206.234375 MB of memory in use. ENERGY: 2321400 715.5328 2088.8868 1954.9092 124.1668 -206242.7481 17914.0416 0.0000 0.0000 34136.0061 -149309.2048 298.1182 -183445.2110 -149208.3518 299.1262 156.3877 189.4448 556581.4379 8.4358 8.5157 PRESSURE: 2321600 -49.8758 -148.155 -16.0838 -148.155 6.01875 -95.9179 -16.0844 -95.9185 198.001 GPRESSURE: 2321600 21.2936 -69.9925 -57.4505 -205.678 47.8428 -100.121 -30.9724 -78.7272 191.56 PRESSAVG: 2321600 66.5521 -45.117 -36.3098 -45.1169 -47.2095 17.2089 -36.3098 17.2091 -29.0486 GPRESSAVG: 2321600 65.5087 -44.6476 -39.2547 -44.6845 -46.3238 19.8157 -36.0923 18.2936 -28.7678 TIMING: 2321600 CPU: 6914.06, 0.00298784/step Wall: 6914.06, 0.00298784/step, 2.22295 hours remaining, 206.234375 MB of memory in use. ENERGY: 2321600 739.7097 2055.4888 1932.0245 112.9417 -206391.8181 17976.2764 0.0000 0.0000 34308.1480 -149267.2290 299.6216 -183575.3770 -149169.8961 299.2829 51.3812 86.8987 556307.2620 -3.2353 -3.1943 PRESSURE: 2321800 -128.823 -33.6254 6.98876 -33.6248 152.118 -48.6738 6.98989 -48.6742 -173.885 GPRESSURE: 2321800 -44.3246 50.0274 35.9971 -71.3066 140.65 -113.976 -74.4021 -30.3398 -129.422 PRESSAVG: 2321800 65.4949 35.4856 -6.94123 35.4856 15.2946 -21.7127 -6.94119 -21.7126 -31.2528 GPRESSAVG: 2321800 66.0794 34.1733 -5.72808 36.5481 16.9293 -24.2753 -7.90676 -21.9537 -33.2195 TIMING: 2321800 CPU: 6914.66, 0.0029891/step Wall: 6914.66, 0.0029891/step, 2.22373 hours remaining, 206.234375 MB of memory in use. ENERGY: 2321800 739.8465 2077.8035 1958.2595 107.4949 -206054.9651 17751.4890 0.0000 0.0000 34153.4871 -149266.5846 298.2709 -183420.0716 -149171.1254 299.0177 -50.1967 -11.0321 555903.2932 16.5122 16.5964 PRESSURE: 2322000 -111.026 -110.298 -17.3392 -110.296 -91.239 81.8545 -17.3392 81.8553 -106.269 GPRESSURE: 2322000 -85.8205 -60.9659 47.2933 -56.141 -95.0876 107.948 15.0775 79.5894 -23.1396 PRESSAVG: 2322000 29.5096 -13.0694 -22.8319 -13.0693 -17.4074 34.9497 -22.8318 34.9497 22.8151 GPRESSAVG: 2322000 29.7927 -11.1214 -22.5364 -12.2434 -18.4081 36.0279 -21.2466 33.7071 23.1009 TIMING: 2322000 CPU: 6915.25, 0.00297245/step Wall: 6915.25, 0.00297245/step, 2.21117 hours remaining, 206.234375 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: 2322000 759.9630 2107.5120 1944.2897 108.8732 -205881.2691 17537.1964 0.0000 0.0000 34176.2179 -149247.2169 298.4694 -183423.4348 -149153.6294 298.5254 -102.8447 -68.0159 556017.1510 11.6391 11.4952 PRESSURE: 2322200 -106.715 49.0524 45.6533 49.0518 -160.041 28.0234 45.6526 28.0245 29.9161 GPRESSURE: 2322200 -78.4944 79.3681 94.2531 -16.1661 -93.6246 -32.2543 -3.79962 80.0431 32.5866 PRESSAVG: 2322200 -40.3481 30.1573 -22.3705 30.1572 20.4205 0.373297 -22.3706 0.373192 23.8944 GPRESSAVG: 2322200 -41.1337 28.5189 -21.7311 27.3572 20.5009 1.41058 -24.0758 1.18642 24.1288 TIMING: 2322200 CPU: 6915.85, 0.00299436/step Wall: 6915.85, 0.00299436/step, 2.2273 hours remaining, 206.234375 MB of memory in use. ENERGY: 2322200 731.0230 2062.8454 1942.6633 130.7676 -205931.3419 17591.4699 0.0000 0.0000 34264.3490 -149208.2236 299.2391 -183472.5726 -149105.2810 299.0468 -78.9467 -46.5108 556175.4168 1.3223 1.1653 PRESSURE: 2322400 -43.2907 127.931 84.4294 127.931 53.0337 -5.54098 84.4307 -5.54124 -5.28737 GPRESSURE: 2322400 -21.3115 132.391 73.2725 3.19859 133.728 82.1921 72.722 -0.683482 -4.74721 PRESSAVG: 2322400 65.0553 7.69129 67.7614 7.69143 -77.5731 7.10185 67.7614 7.10187 -1.81593 GPRESSAVG: 2322400 65.2267 9.35495 66.2814 7.34459 -75.851 4.57048 68.1127 7.97943 -4.1707 TIMING: 2322400 CPU: 6916.45, 0.00298656/step Wall: 6916.45, 0.00298656/step, 2.22134 hours remaining, 206.234375 MB of memory in use. ENERGY: 2322400 781.6502 2055.3579 1951.6861 109.4735 -206147.3841 17850.0730 0.0000 0.0000 34111.6238 -149287.5195 297.9053 -183399.1433 -149198.9768 299.5113 1.4852 35.8896 556834.8819 -4.7779 -4.9317 PRESSURE: 2322600 76.3735 71.6658 -102.447 71.6663 -81.5565 -111.956 -102.448 -111.957 40.2988 GPRESSURE: 2322600 55.3039 42.8226 -153.449 39.6898 -31.1154 -119.422 -76.6562 -49.5678 111.841 PRESSAVG: 2322600 -41.2634 31.2661 -11.6227 31.2663 99.9459 -18.2456 -11.6228 -18.2456 -61.3106 GPRESSAVG: 2322600 -42.8938 32.0603 -9.42046 31.7671 99.9167 -15.9017 -11.2847 -21.0155 -60.0008 TIMING: 2322600 CPU: 6917.05, 0.0029886/step Wall: 6917.05, 0.0029886/step, 2.22269 hours remaining, 206.234375 MB of memory in use. ENERGY: 2322600 744.3402 2059.4822 1954.1346 109.7817 -206363.7067 17981.3855 0.0000 0.0000 34264.1266 -149250.4560 299.2371 -183514.5826 -149157.7526 299.1884 11.7053 45.3430 557558.6192 -0.8760 -0.9926 PRESSURE: 2322800 66.9711 -86.1217 -151.401 -86.1214 11.1064 -27.7615 -151.401 -27.7611 -10.8788 GPRESSURE: 2322800 124.31 -14.966 -119.231 -8.73203 22.6538 -67.9792 -142.234 -26.128 20.6123 PRESSAVG: 2322800 63.1986 36.0002 -44.6864 36.0003 -38.6106 14.1183 -44.6865 14.1182 -19.7417 GPRESSAVG: 2322800 64.2628 35.343 -46.3512 37.1842 -39.9268 12.7466 -45.0134 15.5955 -19.2834 TIMING: 2322800 CPU: 6917.64, 0.00298129/step Wall: 6917.64, 0.00298129/step, 2.21709 hours remaining, 206.234375 MB of memory in use. ENERGY: 2322800 712.5537 2072.9779 1941.2666 108.9570 -206313.7316 17986.7902 0.0000 0.0000 34213.5627 -149277.6235 298.7956 -183491.1862 -149177.9410 299.6864 22.3995 55.8588 557761.1699 1.6155 1.6842 PRESSURE: 2323000 255.445 -83.5065 179.026 -83.5063 -250.105 40.2409 179.027 40.2402 -60.6124 GPRESSURE: 2323000 184.747 -125.002 125.498 -24.1539 -174.319 85.4269 192.391 68.7826 40.576 PRESSAVG: 2323000 45.9024 32.183 32.4866 32.1831 -53.6703 22.9188 32.4867 22.9187 -11.1456 GPRESSAVG: 2323000 45.6733 32.9078 31.2204 30.611 -54.4458 22.3526 32.1648 23.0141 -10.5162 TIMING: 2323000 CPU: 6918.24, 0.00299301/step Wall: 6918.24, 0.00299301/step, 2.22563 hours remaining, 206.234375 MB of memory in use. ENERGY: 2323000 746.8294 2065.5482 1948.4801 108.3361 -206017.7652 17616.2912 0.0000 0.0000 34243.4174 -149288.8628 299.0563 -183532.2801 -149184.8493 299.1071 -18.4242 17.0012 559023.9608 -6.3045 -6.4296 PRESSURE: 2323200 -92.9884 93.5453 -117.793 93.5473 -230.546 -194.834 -117.792 -194.836 -243.551 GPRESSURE: 2323200 -49.2871 154.876 -81.5343 154.027 -260.441 -175.444 -108.28 -186.041 -158.373 PRESSAVG: 2323200 50.0414 -24.7852 25.9284 -24.7852 -29.0873 -24.7576 25.9285 -24.7575 -12.5777 GPRESSAVG: 2323200 50.2867 -24.5632 28.102 -25.0087 -28.5595 -25.583 25.0501 -25.9167 -13.2644 TIMING: 2323200 CPU: 6918.84, 0.00299536/step Wall: 6918.84, 0.00299536/step, 2.22722 hours remaining, 206.234375 MB of memory in use. ENERGY: 2323200 710.8780 2102.9353 1952.4436 116.8913 -205788.8918 17570.2742 0.0000 0.0000 34247.0541 -149088.4152 299.0880 -183335.4694 -148991.2149 298.9325 -189.0286 -156.0337 559291.5503 2.7921 2.8209 PRESSURE: 2323400 71.8129 57.0468 31.6676 57.0466 -73.2844 -44.1522 31.6673 -44.1526 249.602 GPRESSURE: 2323400 72.2696 -3.11407 127.355 111.023 -66.621 -44.3811 -11.4127 -56.2527 342.18 PRESSAVG: 2323400 -42.7664 49.2136 -25.6585 49.2136 -20.4643 -7.49119 -25.6585 -7.49111 97.3357 GPRESSAVG: 2323400 -42.8028 48.3073 -25.7294 48.9832 -20.8469 -6.40857 -26.9672 -9.66194 97.6951 TIMING: 2323400 CPU: 6919.44, 0.00298551/step Wall: 6919.44, 0.00298551/step, 2.21973 hours remaining, 206.234375 MB of memory in use. ENERGY: 2323400 743.8050 2091.3292 1969.4666 125.2024 -206385.1907 17991.6354 0.0000 0.0000 34257.2056 -149206.5465 299.1767 -183463.7521 -149117.5220 298.9284 82.7103 115.9428 556350.0217 11.3683 11.3485 PRESSURE: 2323600 -131.69 63.407 26.2995 63.4077 -47.4622 26.6153 26.2993 26.6152 -135.249 GPRESSURE: 2323600 -122.72 90.8665 51.0876 75.9046 -39.4484 29.7123 41.9061 124.896 -52.5513 PRESSAVG: 2323600 -27.0371 75.7119 -16.0875 75.7118 -65.7717 -15.7955 -16.0876 -15.7956 95.0127 GPRESSAVG: 2323600 -27.9349 75.9137 -15.7751 77.7005 -65.0367 -16.8308 -14.7061 -13.2827 95.2272 TIMING: 2323600 CPU: 6920.04, 0.0030054/step Wall: 6920.04, 0.0030054/step, 2.23435 hours remaining, 206.234375 MB of memory in use. ENERGY: 2323600 763.9368 2051.6657 1951.7037 119.8844 -206049.2336 17852.7969 0.0000 0.0000 34113.7660 -149195.4802 297.9240 -183309.2461 -149096.4801 299.3332 -104.8007 -71.5731 559253.9617 0.7346 0.7519 PRESSURE: 2323800 127.846 -6.10411 -101.471 -6.1056 205.07 166.211 -101.472 166.211 84.4166 GPRESSURE: 2323800 188.554 -117.584 -99.6908 16.5183 225.862 154.244 -193.551 109.733 84.0312 PRESSAVG: 2323800 -52.019 -28.752 -27.8466 -28.752 15.0869 16.7891 -27.8467 16.7891 45.6511 GPRESSAVG: 2323800 -51.6489 -29.104 -28.8187 -30.2457 15.6586 18.3595 -27.9042 16.494 45.2294 TIMING: 2323800 CPU: 6920.64, 0.00298319/step Wall: 6920.64, 0.00298319/step, 2.21767 hours remaining, 206.234375 MB of memory in use. ENERGY: 2323800 695.6932 2064.2731 1935.2422 111.7500 -206453.0080 18033.7027 0.0000 0.0000 34324.4497 -149287.8971 299.7640 -183612.3468 -149191.4464 298.8570 139.1110 166.1490 558129.3250 2.9063 3.0797 PRESSURE: 2324000 86.8006 -23.3857 -50.89 -23.3873 135.069 -104.184 -50.8908 -104.184 59.9659 GPRESSURE: 2324000 71.0317 -14.4887 23.9886 23.0666 204.949 -89.0358 -50.7474 -62.2685 109.649 PRESSAVG: 2324000 -7.38537 -47.0209 -53.7075 -47.0207 72.0385 26.1598 -53.7075 26.1599 -50.8677 GPRESSAVG: 2324000 -6.81756 -46.5446 -52.886 -45.6312 71.5115 26.3039 -55.6008 25.8241 -50.7528 TIMING: 2324000 CPU: 6921.24, 0.00301295/step Wall: 6921.24, 0.00301295/step, 2.23962 hours remaining, 206.234375 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: 2324000 698.3225 2093.9922 1953.9560 109.9303 -206099.6984 17874.3945 0.0000 0.0000 34181.6759 -149187.4270 298.5171 -183369.1029 -149091.8949 299.0127 93.9453 128.5433 558873.8297 4.5951 4.6470 PRESSURE: 2324200 102.555 -15.8662 -90.8526 -15.8682 -25.7466 182.283 -90.8521 182.282 13.1021 GPRESSURE: 2324200 137.611 -45.0642 -95.0355 1.5869 46.6272 143.234 -139.308 210.397 -2.09736 PRESSAVG: 2324200 40.4674 37.0417 -9.41206 37.0417 16.7502 8.84679 -9.41207 8.84676 -55.3152 GPRESSAVG: 2324200 40.6433 34.6916 -10.6142 36.6164 18.2304 9.68636 -5.56967 9.55048 -56.7992 TIMING: 2324200 CPU: 6921.84, 0.00300572/step Wall: 6921.84, 0.00300572/step, 2.23408 hours remaining, 206.234375 MB of memory in use. ENERGY: 2324200 721.2694 2085.9584 1969.5853 127.8101 -206355.1612 17960.3444 0.0000 0.0000 34258.8972 -149231.2965 299.1915 -183490.1936 -149130.0620 298.2989 29.9701 60.7137 558525.0652 0.6342 0.6915 LDB: ============= START OF LOAD BALANCING ============== 6925.27 LDB: ============== END OF LOAD BALANCING =============== 6925.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6925.27 LDB: ============= START OF LOAD BALANCING ============== 6925.58 LDB: Largest compute 4849 load 0.028330 is 24.0% of average load 0.117997 LDB: Average compute 0.001723 is 1.5% of average load 0.117997 LDB: TIME 6925.58 LOAD: AVG 0.117997 MAX 0.204434 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.402 MB LDB: TIME 6925.58 LOAD: AVG 0.117997 MAX 0.204434 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.402 MB LDB: TIME 6925.58 LOAD: AVG 0.117997 MAX 0.204434 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.402 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6925.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6925.58 PRESSURE: 2324400 -35.2988 63.7141 -2.88927 63.7135 -315.719 36.7264 -2.88829 36.7282 -167.212 GPRESSURE: 2324400 -59.1323 0.62975 -75.1325 97.4544 -272.341 -106.538 48.7974 100.911 -82.9774 PRESSAVG: 2324400 -27.6502 38.16 2.28107 38.1599 8.20876 -50.2318 2.28107 -50.2319 28.842 GPRESSAVG: 2324400 -26.8833 39.5969 1.77863 38.4627 6.81515 -50.7501 0.924492 -50.6674 29.6527 TIMING: 2324400 CPU: 6922.46, 0.00307736/step Wall: 6922.46, 0.00307736/step, 2.28716 hours remaining, 205.414062 MB of memory in use. ENERGY: 2324400 744.6644 2114.4346 1933.2636 105.2553 -205998.1817 17701.3066 0.0000 0.0000 34177.7486 -149221.5085 298.4828 -183399.2571 -149118.6736 299.1413 -172.7431 -138.1501 558855.5483 3.1335 3.1948 PRESSURE: 2324600 -90.4022 70.0415 49.7488 70.0413 123.009 -198.237 49.7484 -198.239 -31.722 GPRESSURE: 2324600 -53.8196 25.4911 53.736 62.8935 131.454 -187.318 82.2591 -146.079 21.6718 PRESSAVG: 2324600 -5.49017 31.737 2.6375 31.737 -62.2013 4.5492 2.63756 4.54918 28.5027 GPRESSAVG: 2324600 -6.29359 31.4723 3.40504 30.7623 -62.5656 2.4669 0.872603 7.15533 29.0843 TIMING: 2324600 CPU: 6923.06, 0.00302799/step Wall: 6923.06, 0.00302799/step, 2.2503 hours remaining, 205.414062 MB of memory in use. ENERGY: 2324600 759.3239 2133.1274 1933.6167 103.4266 -206123.7556 17794.1316 0.0000 0.0000 34209.0304 -149191.0991 298.7560 -183400.1295 -149099.2594 299.0226 0.2949 33.1020 557510.8052 -13.0629 -13.2583 PRESSURE: 2324800 -46.6672 25.3812 63.7049 25.3824 -21.5878 -3.59345 63.7066 -3.59371 -77.1147 GPRESSURE: 2324800 -9.13098 -55.3581 21.2155 106.571 6.5156 -43.3338 116.393 -3.39651 -45.5946 PRESSAVG: 2324800 -20.4127 -31.6182 -15.7478 -31.6181 -21.5514 4.48634 -15.7479 4.48629 54.7636 GPRESSAVG: 2324800 -21.0683 -32.4241 -17.3315 -30.5858 -20.398 4.63366 -11.4483 3.4795 53.2068 TIMING: 2324800 CPU: 6923.66, 0.00299214/step Wall: 6923.66, 0.00299214/step, 2.22349 hours remaining, 205.414062 MB of memory in use. ENERGY: 2324800 779.1154 2114.1227 1959.2263 117.5225 -206048.9598 17772.6057 0.0000 0.0000 34189.1823 -149117.1848 298.5826 -183306.3671 -149027.1219 298.7288 -48.4566 -16.0700 557711.6794 4.2665 3.9135 PRESSURE: 2325000 -79.3323 78.8641 168.638 78.8632 -400.845 56.0721 168.639 56.0713 38.3117 GPRESSURE: 2325000 -74.3895 57.4954 184.581 -29.2638 -381.311 87.7908 108.612 7.10209 108.668 PRESSAVG: 2325000 -49.7621 -25.6919 -29.012 -25.6919 -3.48811 35.2598 -29.012 35.2597 50.4137 GPRESSAVG: 2325000 -49.1013 -22.7799 -25.8238 -28.825 -5.40836 35.365 -33.9251 33.608 51.2845 TIMING: 2325000 CPU: 6924.26, 0.00299459/step Wall: 6924.26, 0.00299459/step, 2.22514 hours remaining, 205.414062 MB of memory in use. ENERGY: 2325000 736.5046 2127.4765 1973.1702 114.3439 -205868.0884 17541.5783 0.0000 0.0000 34369.1406 -149005.8743 300.1543 -183375.0149 -148903.0071 299.8492 -147.2884 -115.6775 557662.9595 -0.9455 -1.0750 PRESSURE: 2325200 -34.4645 -48.8042 -51.486 -48.8044 -215.583 9.6985 -51.4853 9.69981 71.8776 GPRESSURE: 2325200 19.0841 -64.9058 10.202 -53.1609 -214.439 34.3835 -81.105 -26.7388 120.288 PRESSAVG: 2325200 -16.5991 -34.9038 -53.9112 -34.9038 8.10737 -20.6995 -53.9111 -20.6995 68.4844 GPRESSAVG: 2325200 -17.3748 -35.5106 -53.4423 -33.3341 8.86513 -19.8671 -52.6754 -20.8189 67.8971 TIMING: 2325200 CPU: 6924.86, 0.00299849/step Wall: 6924.86, 0.00299849/step, 2.22788 hours remaining, 205.414062 MB of memory in use. ENERGY: 2325200 777.8702 2137.7384 1965.7410 131.0537 -206076.3417 17750.7730 0.0000 0.0000 34441.5474 -148871.6179 300.7866 -183313.1653 -148780.2331 300.4059 -59.3899 -25.0224 556229.8759 19.9976 19.7958 PRESSURE: 2325400 91.052 40.0716 -44.9219 40.0723 172.287 140.002 -44.9217 140.003 287.137 GPRESSURE: 2325400 160.774 71.2634 -35.8904 42.7615 206.283 94.599 -88.2897 150.276 284.551 PRESSAVG: 2325400 26.5204 20.3438 -35.8795 20.3438 -56.8437 -20.4195 -35.8796 -20.4195 70.6894 GPRESSAVG: 2325400 24.9696 19.5316 -35.4545 20.9689 -56.2431 -21.514 -37.7951 -19.938 71.215 TIMING: 2325400 CPU: 6925.46, 0.00301757/step Wall: 6925.46, 0.00301757/step, 2.24189 hours remaining, 205.414062 MB of memory in use. ENERGY: 2325400 742.5599 2131.8408 1957.5106 125.5510 -206052.7780 17805.7891 0.0000 0.0000 34392.7300 -148896.7967 300.3603 -183289.5266 -148796.0931 300.7016 183.4920 217.2026 556050.0925 13.4554 13.3138 PRESSURE: 2325600 -63.6108 11.9086 -137.821 11.9089 -43.9263 158.798 -137.822 158.797 -126.671 GPRESSURE: 2325600 -92.9309 95.4696 -168.209 46.5384 55.8984 107.993 -124.528 143.892 -111.714 PRESSAVG: 2325600 25.2897 -15.9451 -34.836 -15.9452 -13.1878 -3.26112 -34.8359 -3.26114 9.62746 GPRESSAVG: 2325600 25.7958 -14.9148 -36.0112 -16.6404 -13.0575 -0.312825 -33.0775 -5.14615 8.81798 TIMING: 2325600 CPU: 6926.06, 0.00299562/step Wall: 6926.06, 0.00299562/step, 2.22541 hours remaining, 205.414062 MB of memory in use. ENERGY: 2325600 719.8697 2067.6513 1957.3225 102.7258 -205700.8623 17565.6655 0.0000 0.0000 34404.9607 -148882.6667 300.4671 -183287.6273 -148779.9543 300.6829 -78.0694 -49.5821 557521.5023 7.2431 7.1854 PRESSURE: 2325800 37.8343 -53.3319 -57.5824 -53.3332 -106.966 108.949 -57.583 108.949 -126.767 GPRESSURE: 2325800 65.2068 -86.0678 -44.7459 -76.4923 -22.7646 108.068 -89.2499 144.179 -145.717 PRESSAVG: 2325800 29.3995 25.3712 -17.0201 25.3711 38.3132 -4.549 -17.0201 -4.54901 -72.2168 GPRESSAVG: 2325800 29.3909 26.9188 -17.6468 24.2318 37.9943 -7.9177 -16.5642 -2.62881 -71.8488 TIMING: 2325800 CPU: 6926.66, 0.00300482/step Wall: 6926.66, 0.00300482/step, 2.23208 hours remaining, 205.414062 MB of memory in use. ENERGY: 2325800 735.6373 2064.5302 1935.8607 112.9921 -205915.9191 17787.4081 0.0000 0.0000 34434.3645 -148845.1262 300.7239 -183279.4907 -148744.1139 300.2351 -65.2993 -34.4248 559309.4706 -1.5014 -1.4879 PRESSURE: 2326000 -109.891 -202.932 -46.1968 -202.933 -98.1474 66.2719 -46.1968 66.2698 -11.9242 GPRESSURE: 2326000 -75.4604 -239.398 -27.719 -167.578 -48.8545 34.599 -71.7741 72.6934 -2.71949 PRESSAVG: 2326000 -29.2631 -19.8106 -80.8711 -19.8106 16.435 12.6581 -80.8711 12.658 12.8656 GPRESSAVG: 2326000 -29.432 -22.5447 -80.2012 -17.499 17.1612 14.5742 -79.9989 11.49 12.9323 TIMING: 2326000 CPU: 6927.26, 0.0029928/step Wall: 6927.26, 0.0029928/step, 2.22298 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: 2326000 768.3284 2056.9528 1969.9884 106.3745 -206520.2948 18081.5562 0.0000 0.0000 34607.7362 -148929.3583 302.2380 -183537.0945 -148828.5907 300.5121 -73.3209 -42.3448 557804.0361 0.0125 0.2205 PRESSURE: 2326200 -437.264 97.2279 -98.479 97.2277 -83.1546 -129.597 -98.4797 -129.596 -307.099 GPRESSURE: 2326200 -352.385 61.8541 -124.141 118.141 -55.9344 -108.624 -76.3847 -178.716 -328.878 PRESSAVG: 2326200 2.60666 -1.83617 -41.4638 -1.83613 -19.0807 14.4491 -41.4637 14.4491 13.9434 GPRESSAVG: 2326200 4.23021 -2.17351 -39.5861 -3.04589 -19.5061 15.5779 -43.8221 14.7678 12.5701 TIMING: 2326200 CPU: 6927.86, 0.00302327/step Wall: 6927.86, 0.00302327/step, 2.24545 hours remaining, 205.414062 MB of memory in use. ENERGY: 2326200 764.6789 2047.7795 1963.4599 108.6887 -205610.7774 17513.9398 0.0000 0.0000 34323.3053 -148888.9254 299.7540 -183212.2307 -148789.8536 299.7819 -275.8393 -245.7322 560119.6352 -0.8435 -0.9019 PRESSURE: 2326400 177.847 -149.867 -26.1304 -149.867 53.4065 64.9119 -26.1299 64.9112 50.4159 GPRESSURE: 2326400 128.521 -173.232 -5.31838 -59.6843 104.839 -24.2154 19.7276 63.7409 140.31 PRESSAVG: 2326400 -24.2993 9.78956 -38.5029 9.78957 93.5194 -8.80491 -38.5028 -8.80486 -59.5371 GPRESSAVG: 2326400 -24.6489 10.0398 -40.1417 10.8076 93.4431 -9.36443 -36.7518 -8.72745 -59.4614 TIMING: 2326400 CPU: 6928.46, 0.00299131/step Wall: 6928.46, 0.00299131/step, 2.22154 hours remaining, 205.414062 MB of memory in use. ENERGY: 2326400 741.5683 2047.6403 1944.4714 113.9836 -206227.6978 17942.6405 0.0000 0.0000 34572.7813 -148864.6124 301.9327 -183437.3937 -148770.9459 301.0522 93.8898 124.5566 558200.0964 3.2277 3.1109 PRESSURE: 2326600 85.7609 30.0178 28.1099 30.0175 72.9981 -53.9765 28.1097 -53.9755 55.3257 GPRESSURE: 2326600 128.959 57.2283 1.94772 -23.2324 117.897 -96.8935 18.7401 -35.5705 59.224 PRESSAVG: 2326600 -11.0167 9.16175 -8.52167 9.16171 10.9055 8.49121 -8.52169 8.49126 58.5176 GPRESSAVG: 2326600 -11.315 10.2598 -11.8563 8.32785 10.8126 6.63422 -5.80269 8.58986 59.0415 TIMING: 2326600 CPU: 6929.06, 0.00300765/step Wall: 6929.06, 0.00300765/step, 2.23351 hours remaining, 205.414062 MB of memory in use. ENERGY: 2326600 721.9117 2081.5663 2002.9834 120.2235 -206405.1299 18177.1863 0.0000 0.0000 34390.1468 -148911.1120 300.3377 -183301.2588 -148818.2020 300.8826 71.3616 102.0268 558909.4021 19.4688 19.5130 PRESSURE: 2326800 72.522 43.4 78.4457 43.4002 -291.046 50.4905 78.4465 50.4917 163.77 GPRESSURE: 2326800 117.81 -10.4373 59.3661 49.7515 -277.587 32.0928 71.1665 124.984 212.029 PRESSAVG: 2326800 11.2439 -4.56546 19.4539 -4.5655 -4.41394 10.1424 19.4539 10.1424 -48.0319 GPRESSAVG: 2326800 11.4055 -7.20002 22.8737 -4.67167 -3.63831 10.4919 16.3029 11.8925 -48.9344 TIMING: 2326800 CPU: 6929.67, 0.00300927/step Wall: 6929.67, 0.00300927/step, 2.23455 hours remaining, 205.414062 MB of memory in use. ENERGY: 2326800 712.4405 2124.8243 1957.1998 114.9726 -206011.3730 17744.1428 0.0000 0.0000 34185.4103 -149172.3827 298.5497 -183357.7930 -149065.1155 300.0614 -18.2514 17.4170 558089.5377 -13.7340 -13.7224 PRESSURE: 2327000 376.659 -127.618 156.185 -127.618 271.927 -89.932 156.184 -89.933 89.0089 GPRESSURE: 2327000 401.781 -87.6075 100.234 -203.187 307.075 -81.8728 188.572 -96.1269 143.314 PRESSAVG: 2327000 55.3335 -30.4055 40.8338 -30.4055 -55.0594 44.162 40.8337 44.1621 10.9263 GPRESSAVG: 2327000 55.7027 -27.5021 40.2906 -31.001 -55.4347 44.1652 40.0055 41.7342 11.5771 TIMING: 2327000 CPU: 6930.27, 0.00299741/step Wall: 6930.27, 0.00299741/step, 2.22558 hours remaining, 205.414062 MB of memory in use. ENERGY: 2327000 745.5923 2142.9426 1953.2310 113.2342 -206723.7017 18100.6062 0.0000 0.0000 34479.9992 -149188.0964 301.1224 -183668.0955 -149090.3386 299.8027 245.8650 284.0570 555866.9024 3.7335 3.9484 PRESSURE: 2327200 -118.335 14.7924 103.04 14.7919 -260.308 193.226 103.04 193.227 272.767 GPRESSURE: 2327200 -112.147 -22.1755 158.425 123.27 -174.645 204.553 23.9744 220.217 265.238 PRESSAVG: 2327200 40.5507 -49.174 38.3449 -49.174 18.0382 34.4956 38.3448 34.4957 -57.0469 GPRESSAVG: 2327200 39.8138 -50.8192 37.3413 -47.476 17.7187 34.4053 38.4623 36.4564 -55.8738 TIMING: 2327200 CPU: 6930.87, 0.00302484/step Wall: 6930.87, 0.00302484/step, 2.24578 hours remaining, 205.414062 MB of memory in use. ENERGY: 2327200 773.8703 2095.1277 1940.0432 119.8223 -206139.5403 17736.4579 0.0000 0.0000 34170.9174 -149303.3015 298.4231 -183474.2189 -149207.1409 299.3174 -35.2918 -7.1847 557371.8700 0.5140 0.5529 PRESSURE: 2327400 161.099 -30.6647 -67.3324 -30.6646 294.393 90.1556 -67.3317 90.1537 215.774 GPRESSURE: 2327400 186.753 -128.827 -44.7721 17.9659 333.858 83.6906 -82.2403 70.3057 247.835 PRESSAVG: 2327400 77.4303 18.5797 9.42556 18.5798 23.2246 27.8455 9.4256 27.8455 -45.186 GPRESSAVG: 2327400 78.3197 19.5336 10.8366 18.4384 23.8011 27.2783 9.79002 26.9445 -46.7796 TIMING: 2327400 CPU: 6931.47, 0.00300958/step Wall: 6931.47, 0.00300958/step, 2.23428 hours remaining, 205.414062 MB of memory in use. ENERGY: 2327400 738.0007 2091.2379 1955.8139 121.1170 -206533.9698 18003.2174 0.0000 0.0000 34405.2594 -149219.3236 300.4697 -183624.5830 -149120.8416 299.8452 223.7553 256.1488 554851.3591 18.4896 18.4471 PRESSURE: 2327600 159.196 -12.765 54.8696 -12.7661 211.249 62.0644 54.8683 62.0658 119.987 GPRESSURE: 2327600 162.825 87.168 75.8732 33.8398 207.384 15.9974 -7.2904 144.272 219.114 PRESSAVG: 2327600 -13.953 4.72328 39.0146 4.72321 20.1042 34.7876 39.0147 34.7875 -8.65357 GPRESSAVG: 2327600 -13.3563 3.57063 36.6405 4.80957 19.1168 36.3244 41.0655 34.9365 -7.89849 TIMING: 2327600 CPU: 6932.07, 0.00299184/step Wall: 6932.07, 0.00299184/step, 2.22094 hours remaining, 205.414062 MB of memory in use. ENERGY: 2327600 726.7676 2085.8203 1971.0684 113.8555 -206736.5295 17986.8385 0.0000 0.0000 34344.8038 -149507.3754 299.9417 -183852.1792 -149414.1780 299.1125 163.4773 196.4412 555340.0396 -0.8341 -0.7127 PRESSURE: 2327800 97.9115 20.0186 -90.1611 20.0168 127.236 50.2641 -90.1617 50.2633 -28.1248 GPRESSURE: 2327800 152.68 9.47548 -49.6081 78.9036 131.372 6.34585 -61.4946 87.8371 1.12067 PRESSAVG: 2327800 50.4937 -46.5113 47.742 -46.5113 42.9435 -25.5586 47.7421 -25.5586 -52.6143 GPRESSAVG: 2327800 49.9045 -47.4356 48.8683 -45.8966 43.5649 -27.6597 47.9696 -25.0253 -52.6343 TIMING: 2327800 CPU: 6932.68, 0.00302628/step Wall: 6932.68, 0.00302628/step, 2.24634 hours remaining, 205.414062 MB of memory in use. ENERGY: 2327800 750.1497 2072.0294 1956.4182 116.2289 -206546.4341 17952.1582 0.0000 0.0000 34348.5016 -149350.9482 299.9740 -183699.4498 -149253.6552 298.9277 65.6744 95.0576 556354.6150 13.6076 13.6117 PRESSURE: 2328000 -71.5164 13.1233 48.0201 13.1241 -150.593 104.196 48.0204 104.196 -13.7146 GPRESSURE: 2328000 -27.0195 -54.3903 112.292 -22.4075 -131.273 162.893 46.5736 18.5594 28.1942 PRESSAVG: 2328000 -24.4931 13.8877 -14.1929 13.8876 -58.0857 -32.8676 -14.193 -32.8675 42.9181 GPRESSAVG: 2328000 -23.1271 14.3533 -13.2522 15.0877 -59.2519 -29.6261 -14.6679 -34.0103 42.7018 TIMING: 2328000 CPU: 6933.28, 0.00302994/step Wall: 6933.28, 0.00302994/step, 2.24889 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: 2328000 770.1501 2068.1169 1943.6357 114.1090 -206100.1312 17659.1076 0.0000 0.0000 34272.6143 -149272.3975 299.3113 -183545.0119 -149179.1259 298.5523 -78.6081 -43.3661 557306.5504 -13.2202 -13.2257 PRESSURE: 2328200 37.1659 -18.9505 100.611 -18.9499 83.4762 -56.9617 100.61 -56.961 161.826 GPRESSURE: 2328200 83.6475 -93.3685 162.692 10.8622 96.1527 8.24343 45.3842 -44.7685 203.011 PRESSAVG: 2328200 16.3255 -43.6539 -37.2332 -43.6539 -44.9241 -54.8746 -37.2331 -54.8746 64.5765 GPRESSAVG: 2328200 15.2249 -44.285 -37.5111 -46.5939 -42.7747 -54.9702 -37.0977 -54.3373 63.2998 TIMING: 2328200 CPU: 6933.88, 0.0030106/step Wall: 6933.88, 0.0030106/step, 2.23436 hours remaining, 205.414062 MB of memory in use. ENERGY: 2328200 735.7501 2069.7725 1950.5334 127.3610 -206308.9421 17991.1210 0.0000 0.0000 34255.0521 -149179.3520 299.1579 -183434.4042 -149081.3275 299.1748 94.1560 127.6039 556211.3574 11.9926 11.9167 LDB: ============= START OF LOAD BALANCING ============== 6937.32 LDB: ============== END OF LOAD BALANCING =============== 6937.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6937.32 LDB: ============= START OF LOAD BALANCING ============== 6937.62 LDB: Largest compute 4849 load 0.026909 is 22.8% of average load 0.118117 LDB: Average compute 0.001720 is 1.5% of average load 0.118117 LDB: TIME 6937.63 LOAD: AVG 0.118117 MAX 0.208096 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.926 MB LDB: TIME 6937.63 LOAD: AVG 0.118117 MAX 0.208096 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.926 MB LDB: TIME 6937.63 LOAD: AVG 0.118117 MAX 0.208096 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6937.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6937.63 PRESSURE: 2328400 -69.357 -29.9672 30.0949 -29.9662 73.2076 33.3117 30.0954 33.3127 3.27062 GPRESSURE: 2328400 -31.5246 83.867 16.5582 40.0745 48.8767 31.184 18.0249 -8.33445 74.6131 PRESSAVG: 2328400 -22.497 14.9143 -9.77157 14.9143 -9.63244 34.9123 -9.77162 34.9124 65.7906 GPRESSAVG: 2328400 -22.7473 17.7385 -8.95313 15.5332 -11.1057 34.437 -9.40469 35.7997 67.5915 TIMING: 2328400 CPU: 6934.5, 0.00308893/step Wall: 6934.5, 0.00308893/step, 2.29233 hours remaining, 207.207031 MB of memory in use. ENERGY: 2328400 716.4711 2050.4292 1973.7729 102.4682 -206213.6649 17848.3978 0.0000 0.0000 34275.5495 -149246.5762 299.3369 -183522.1258 -149147.6177 299.9849 2.3737 30.6551 557299.1175 11.2204 11.2462 PRESSURE: 2328600 167.911 56.4486 -65.6857 56.4477 326.057 -164.732 -65.6872 -164.733 -147.754 GPRESSURE: 2328600 165.112 -45.0618 -149.936 96.6041 327.043 -136.738 36.9934 -92.2556 -42.7277 PRESSAVG: 2328600 -17.5356 -15.8209 -19.7414 -15.8209 -69.0532 27.0444 -19.7414 27.0443 117.901 GPRESSAVG: 2328600 -16.7527 -18.027 -19.3145 -15.2416 -69.0983 25.2228 -20.9533 27.5347 116.984 TIMING: 2328600 CPU: 6935.11, 0.00304266/step Wall: 6935.11, 0.00304266/step, 2.25783 hours remaining, 207.410156 MB of memory in use. ENERGY: 2328600 764.5460 2117.3719 1955.8151 111.0515 -206064.9372 17901.1922 0.0000 0.0000 34283.7586 -148931.2019 299.4086 -183214.9605 -148828.4359 299.8589 115.4050 149.8092 557075.7446 10.4372 10.3778 PRESSURE: 2328800 31.1121 -176.196 -180.954 -176.195 152.41 -138.814 -180.954 -138.814 -19.0876 GPRESSURE: 2328800 59.3101 -91.7167 -139.015 -233.459 190.573 -160.783 -183.417 -113.544 19.4904 PRESSAVG: 2328800 7.49518 -46.0189 13.1457 -46.019 -0.908001 -8.80733 13.1457 -8.80724 43.7988 GPRESSAVG: 2328800 7.53225 -45.2923 10.3229 -45.7228 -0.749623 -8.27439 15.4506 -9.45593 43.26 TIMING: 2328800 CPU: 6935.71, 0.00301279/step Wall: 6935.71, 0.00301279/step, 2.23549 hours remaining, 207.410156 MB of memory in use. ENERGY: 2328800 737.8500 2088.4903 1936.1259 120.8431 -206062.2582 17866.4563 0.0000 0.0000 34318.2219 -148994.2707 299.7096 -183312.4927 -148902.0949 300.3016 54.8114 89.7910 558264.5469 16.7953 16.6809 PRESSURE: 2329000 -317.149 -23.4495 146.405 -23.449 -41.5035 -18.1293 146.405 -18.129 -166.355 GPRESSURE: 2329000 -306.887 -43.2623 148.675 -29.172 23.3731 74.9789 141.316 9.60361 -142.843 PRESSAVG: 2329000 -23.1871 -88.7595 2.85198 -88.7594 37.8459 3.89029 2.85207 3.89035 -56.3156 GPRESSAVG: 2329000 -23.8599 -89.9111 4.16076 -89.9616 37.849 4.66686 0.897175 3.12564 -55.2489 TIMING: 2329000 CPU: 6936.32, 0.00302219/step Wall: 6936.32, 0.00302219/step, 2.2423 hours remaining, 207.410156 MB of memory in use. ENERGY: 2329000 763.8835 1997.9120 1930.3550 115.9030 -205326.1251 17314.8649 0.0000 0.0000 34410.7941 -148792.4126 300.5180 -183203.2067 -148702.8540 300.4311 -175.0025 -142.1190 555903.6192 -13.8856 -13.7533 PRESSURE: 2329200 -63.9881 92.5751 -30.2216 92.5755 -131.172 -16.297 -30.2218 -16.2959 12.1341 GPRESSURE: 2329200 -64.2686 49.0334 -36.842 57.49 -83.0772 -138.357 22.78 18.6235 65.8044 PRESSAVG: 2329200 -12.6004 -34.7659 12.4977 -34.7658 -15.8642 14.9833 12.4977 14.9834 49.6224 GPRESSAVG: 2329200 -13.0311 -33.8191 12.3464 -35.6989 -16.0362 15.1846 13.6051 15.2897 50.0735 TIMING: 2329200 CPU: 6936.92, 0.00299561/step Wall: 6936.92, 0.00299561/step, 2.22241 hours remaining, 207.410156 MB of memory in use. ENERGY: 2329200 772.6712 1983.1131 1942.8444 121.2388 -205645.6863 17701.3537 0.0000 0.0000 34474.7657 -148649.6994 301.0767 -183124.4652 -148543.4030 300.5766 -61.0087 -27.1805 558153.5856 7.0526 7.0021 PRESSURE: 2329400 169.704 50.6835 113.428 50.6858 387.708 -21.8082 113.429 -21.8074 -48.8709 GPRESSURE: 2329400 214.084 -0.261811 62.3097 -16.2577 398.73 27.1603 164.516 -73.3142 -17.4731 PRESSAVG: 2329400 -103.852 -14.4132 -12.7265 -14.4132 61.2839 -32.2156 -12.7264 -32.2156 53.7689 GPRESSAVG: 2329400 -103.356 -13.912 -13.2115 -13.8939 61.7241 -31.1824 -11.7797 -33.6824 53.1023 TIMING: 2329400 CPU: 6937.52, 0.0030052/step Wall: 6937.52, 0.0030052/step, 2.22936 hours remaining, 207.410156 MB of memory in use. ENERGY: 2329400 735.8722 2068.7124 1916.5728 104.2924 -205807.7360 17885.8870 0.0000 0.0000 34474.6725 -148621.7267 301.0759 -183096.3992 -148529.9126 300.2259 169.5137 198.4471 557639.2128 3.7338 3.8235 PRESSURE: 2329600 -11.631 -81.836 281.111 -81.8356 97.7208 -133.417 281.112 -133.418 8.92677 GPRESSURE: 2329600 31.2951 -163.618 229.628 18.426 104.05 -89.3643 253.542 -183.946 67.7539 PRESSAVG: 2329600 9.20442 -46.7385 -3.15303 -46.7384 -10.8713 -34.194 -3.15303 -34.194 19.3279 GPRESSAVG: 2329600 9.44404 -47.7369 -2.62943 -44.7338 -11.0877 -34.926 -3.81058 -31.6958 19.0531 TIMING: 2329600 CPU: 6938.12, 0.00298794/step Wall: 6938.12, 0.00298794/step, 2.21639 hours remaining, 207.410156 MB of memory in use. ENERGY: 2329600 727.1766 2067.5524 1928.0212 112.3475 -205773.0783 17956.7082 0.0000 0.0000 34327.0072 -148654.2652 299.7863 -182981.2724 -148557.5624 300.9272 31.6722 67.6998 558538.2780 5.8870 5.8031 PRESSURE: 2329800 110.362 29.0887 8.28707 29.09 30.9568 137.121 8.2868 137.123 -107.715 GPRESSURE: 2329800 129.578 -8.59186 79.1949 2.83411 50.2394 93.2657 1.66054 140.826 -36.7541 PRESSAVG: 2329800 1.2805 -2.43513 32.0131 -2.43521 45.4811 17.4958 32.0131 17.496 -24.9012 GPRESSAVG: 2329800 2.19726 -1.50621 32.645 -4.32634 43.5167 18.3104 30.9892 14.2691 -24.3485 TIMING: 2329800 CPU: 6938.71, 0.00299449/step Wall: 6938.71, 0.00299449/step, 2.22108 hours remaining, 207.410156 MB of memory in use. ENERGY: 2329800 730.0354 2127.8978 1922.0779 114.1173 -205813.5602 17902.5910 0.0000 0.0000 34331.1106 -148685.7303 299.8221 -183016.8409 -148586.2310 301.1269 11.2013 47.6878 559090.1134 7.2868 7.1218 PRESSURE: 2330000 56.1819 -59.9373 -53.8052 -59.9374 34.4474 -35.0018 -53.8059 -35.002 -6.73528 GPRESSURE: 2330000 143.647 -59.9879 -64.5515 -28.78 63.1633 -89.1954 -58.442 -8.52256 -24.7146 PRESSAVG: 2330000 24.5101 5.27864 27.2144 5.27858 11.2191 -15.9979 27.2144 -15.998 -5.16878 GPRESSAVG: 2330000 24.2801 3.35314 26.9328 8.40082 12.8531 -18.164 29.1484 -13.9496 -6.69348 TIMING: 2330000 CPU: 6939.31, 0.00299899/step Wall: 6939.31, 0.00299899/step, 2.22425 hours remaining, 207.410156 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: 2330000 754.0578 2050.0006 1968.8865 121.5821 -206086.5284 17968.2128 0.0000 0.0000 34498.5811 -148725.2075 301.2847 -183223.7886 -148628.5603 300.7244 27.9647 60.6986 559479.0954 10.1868 10.1466 PRESSURE: 2330200 -33.8929 131.895 65.235 131.894 61.595 197.225 65.2344 197.224 -39.1756 GPRESSURE: 2330200 32.8424 221.572 8.79181 128.414 80.2631 292.209 64.8366 194.282 -17.4989 PRESSAVG: 2330200 39.2075 -22.4202 35.8189 -22.4203 -1.40761 34.9234 35.8189 34.9234 -31.6145 GPRESSAVG: 2330200 38.7834 -20.5148 36.4636 -25.8308 -1.53756 35.7729 34.2702 33.0605 -31.4087 TIMING: 2330200 CPU: 6939.92, 0.00300532/step Wall: 6939.92, 0.00300532/step, 2.22878 hours remaining, 207.410156 MB of memory in use. ENERGY: 2330200 756.3459 2105.7503 1935.0877 108.8435 -205748.1010 17806.4577 0.0000 0.0000 34322.9001 -148712.7159 299.7504 -183035.6160 -148623.6138 301.0682 -3.8245 31.8688 559361.7762 2.0618 1.9457 PRESSURE: 2330400 48.673 63.4361 74.9472 63.437 147.365 81.9271 74.9479 81.9283 0.669068 GPRESSURE: 2330400 92.7586 7.80545 -2.60191 22.4433 131.011 3.04991 102.016 179.639 60.0827 PRESSAVG: 2330400 -28.3703 66.0033 -25.6766 66.0034 -3.09654 30.2372 -25.6766 30.2372 54.549 GPRESSAVG: 2330400 -28.2397 66.1536 -25.9858 66.1288 -2.73067 29.2973 -24.3982 31.1604 54.3436 TIMING: 2330400 CPU: 6940.51, 0.00299152/step Wall: 6940.51, 0.00299152/step, 2.21838 hours remaining, 207.410156 MB of memory in use. ENERGY: 2330400 732.4044 2063.5521 1951.0783 101.7897 -205946.6187 17946.5728 0.0000 0.0000 34397.5822 -148753.6391 300.4026 -183151.2213 -148661.0617 301.0036 65.5690 94.6173 558610.7243 7.6940 7.7911 PRESSURE: 2330600 -28.038 38.9005 -8.12902 38.9004 -16.8451 46.6711 -8.12806 46.671 -87.1617 GPRESSURE: 2330600 10.2099 69.7808 48.667 49.7591 -13.2876 62.3031 -34.9079 111.027 -40.3329 PRESSAVG: 2330600 139.621 -10.2189 -15.7216 -10.2189 -25.5152 37.2293 -15.7215 37.2294 -55.1872 GPRESSAVG: 2330600 139.097 -10.7129 -14.5615 -10.7547 -25.7421 37.0739 -17.8537 39.3871 -54.498 TIMING: 2330600 CPU: 6941.11, 0.00299297/step Wall: 6941.11, 0.00299297/step, 2.21928 hours remaining, 207.410156 MB of memory in use. ENERGY: 2330600 732.2416 2040.8050 1947.6163 126.3946 -205891.5522 17687.9870 0.0000 0.0000 34572.9749 -148783.5328 301.9344 -183356.5077 -148689.3822 300.2181 -44.0149 -14.4702 557641.5637 19.6394 19.6190 PRESSURE: 2330800 111.381 41.4174 -108.407 41.4176 153.492 -59.5122 -108.406 -59.5113 80.3954 GPRESSURE: 2330800 198.709 37.9804 -89.6757 8.44736 161.221 -4.18746 -127.346 -47.5298 95.1121 PRESSAVG: 2330800 -8.2149 -44.4604 6.3003 -44.4604 -10.7907 26.0541 6.30032 26.0541 -17.9978 GPRESSAVG: 2330800 -8.30152 -43.5505 6.70409 -44.9234 -10.9924 25.2715 7.51302 25.3126 -17.5121 TIMING: 2330800 CPU: 6941.71, 0.00300247/step Wall: 6941.71, 0.00300247/step, 2.22617 hours remaining, 207.410156 MB of memory in use. ENERGY: 2330800 738.5694 2139.4066 1952.4298 126.0202 -206078.6500 17854.0537 0.0000 0.0000 34369.8163 -148898.3541 300.1602 -183268.1704 -148806.5243 300.7655 115.0895 151.6806 557117.1426 -12.3345 -12.2686 PRESSURE: 2331000 -94.1117 -206.204 75.5243 -206.204 -476.876 -220.438 75.5247 -220.437 -48.6553 GPRESSURE: 2331000 -86.5313 -288.711 106.923 -150.655 -432.551 -286.208 81.45 -155.22 -1.48121 PRESSAVG: 2331000 -0.223461 -40.6534 -22.5294 -40.6533 25.1968 -16.4364 -22.5294 -16.4365 -64.7589 GPRESSAVG: 2331000 -0.457561 -40.2691 -23.2411 -38.1839 25.9812 -13.6645 -23.4948 -18.0824 -65.641 TIMING: 2331000 CPU: 6942.31, 0.00300484/step Wall: 6942.31, 0.00300484/step, 2.22776 hours remaining, 207.410156 MB of memory in use. ENERGY: 2331000 763.2543 2100.3977 1944.1272 120.8961 -205786.9277 17548.0162 0.0000 0.0000 34321.6648 -148988.5715 299.7396 -183310.2363 -148891.8177 299.7817 -206.5478 -173.5211 557497.8270 -13.2618 -13.3725 PRESSURE: 2331200 -395.306 -78.9818 -9.80183 -78.9808 -116.311 -52.7529 -9.80183 -52.7539 41.8715 GPRESSURE: 2331200 -298.541 -71.3383 -32.8076 -143.819 -126.004 -115.026 -11.6444 -33.2675 55.2294 PRESSAVG: 2331200 -20.0623 -44.7751 -24.1312 -44.7752 17.8964 -58.0503 -24.1312 -58.0503 64.9591 GPRESSAVG: 2331200 -19.1464 -46.0444 -23.8403 -46.1788 16.6296 -61.3433 -24.3056 -55.7703 64.9607 TIMING: 2331200 CPU: 6942.92, 0.0030309/step Wall: 6942.92, 0.0030309/step, 2.24691 hours remaining, 207.410156 MB of memory in use. ENERGY: 2331200 735.9907 2128.3691 1924.3291 103.9637 -205596.1468 17347.8394 0.0000 0.0000 34328.1797 -149027.4750 299.7965 -183355.6547 -148934.2086 299.6477 -156.5818 -123.1053 557094.0915 20.9311 20.8146 PRESSURE: 2331400 455.581 28.9581 -23.8688 28.958 74.9456 34.8593 -23.8685 34.8599 63.4283 GPRESSURE: 2331400 463.274 -58.7687 -87.1804 97.2407 154.393 -27.9189 -17.8585 109.986 76.9505 PRESSAVG: 2331400 -8.99571 5.00689 -63.9052 5.00689 1.54402 -56.1845 -63.9052 -56.1846 26.2229 GPRESSAVG: 2331400 -10.3843 4.97613 -65.0084 4.69956 3.03375 -56.4707 -62.4114 -57.4711 26.3345 TIMING: 2331400 CPU: 6943.52, 0.00298495/step Wall: 6943.52, 0.00298495/step, 2.21268 hours remaining, 207.410156 MB of memory in use. ENERGY: 2331400 742.8244 2043.5095 1969.4494 113.2177 -206558.4479 18156.7039 0.0000 0.0000 34396.5344 -149136.2086 300.3935 -183532.7430 -149043.2484 299.5969 197.9849 231.5392 557115.6655 6.2571 6.3280 PRESSURE: 2331600 -37.5224 -157.745 3.7743 -157.745 -148.016 54.8317 3.77352 54.8313 314.887 GPRESSURE: 2331600 -18.5121 -88.3966 -14.7052 -136.462 -84.6188 62.1397 5.97077 30.0346 337.972 PRESSAVG: 2331600 32.9037 -110.134 -10.2854 -110.134 -87.9737 7.18991 -10.2854 7.18998 61.372 GPRESSAVG: 2331600 33.0751 -111.415 -8.05596 -106.119 -88.0541 7.98687 -11.6208 7.25364 61.3028 TIMING: 2331600 CPU: 6944.12, 0.00302308/step Wall: 6944.12, 0.00302308/step, 2.24077 hours remaining, 207.410156 MB of memory in use. ENERGY: 2331600 728.0273 2064.4248 1933.2992 114.0240 -206364.4614 18030.3876 0.0000 0.0000 34249.3111 -149244.9874 299.1078 -183494.2984 -149147.4914 299.2021 43.1164 78.2802 558972.4397 2.1006 2.1079 PRESSURE: 2331800 -394.334 84.956 -67.7878 84.9551 -286.007 232.699 -67.7882 232.698 111.869 GPRESSURE: 2331800 -323.968 74.0503 -39.6628 73.5158 -281.966 238.062 -112.188 154.838 140.302 PRESSAVG: 2331800 8.92663 10.4564 48.6477 10.4565 -70.4867 -7.40013 48.6478 -7.40011 72.157 GPRESSAVG: 2331800 10.231 11.1592 47.6275 7.30874 -71.1394 -6.85301 50.2526 -6.06414 70.9424 TIMING: 2331800 CPU: 6944.73, 0.00303664/step Wall: 6944.73, 0.00303664/step, 2.25066 hours remaining, 207.410156 MB of memory in use. ENERGY: 2331800 781.9844 2025.0806 1953.4130 97.9489 -206513.7666 17877.2830 0.0000 0.0000 34334.1207 -149443.9359 299.8484 -183778.0566 -149341.0893 299.1853 -189.4906 -155.2103 559057.4246 3.5323 3.3447 PRESSURE: 2332000 -90.28 91.2266 16.2391 91.2265 -27.6112 74.1458 16.2395 74.1453 -167.338 GPRESSURE: 2332000 -41.0155 140.611 46.5695 84.3295 -33.6404 23.871 22.4173 102.572 -110.304 PRESSAVG: 2332000 20.3434 25.3508 -17.386 25.3507 -15.2118 30.7968 -17.386 30.797 23.6991 GPRESSAVG: 2332000 19.8236 25.3524 -16.7042 24.5905 -16.1182 29.0341 -18.5761 31.1339 25.0014 TIMING: 2332000 CPU: 6945.33, 0.00298339/step Wall: 6945.33, 0.00298339/step, 2.21102 hours remaining, 207.410156 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: 2332000 755.9154 2063.7159 1959.0870 108.6331 -206377.1016 17874.7282 0.0000 0.0000 34279.9880 -149335.0341 299.3757 -183615.0220 -149235.2211 298.7799 -95.0765 -61.6533 558872.8141 9.6102 9.5689 PRESSURE: 2332200 -191.734 -37.6448 5.18001 -37.6441 -97.3252 -33.0583 5.17995 -33.059 -118.59 GPRESSURE: 2332200 -169.524 70.6316 -56.7586 -74.9873 -82.1015 -127.376 40.0207 10.6942 -47.8679 PRESSAVG: 2332200 -1.65042 -43.5757 20.0926 -43.5758 43.0303 4.09161 20.0927 4.09158 -61.782 GPRESSAVG: 2332200 -2.09766 -43.7618 16.4584 -42.1267 44.2497 4.91864 21.6288 3.93439 -62.7116 TIMING: 2332200 CPU: 6945.93, 0.00301713/step Wall: 6945.93, 0.00301713/step, 2.23586 hours remaining, 207.410156 MB of memory in use. ENERGY: 2332200 776.6545 2070.0387 1933.4838 105.4127 -206378.6652 17773.6813 0.0000 0.0000 34313.2692 -149406.1250 299.6663 -183719.3942 -149306.8149 299.1735 -135.8832 -99.8310 557516.0820 -6.8007 -6.8532 LDB: ============= START OF LOAD BALANCING ============== 6949.36 LDB: ============== END OF LOAD BALANCING =============== 6949.36 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6949.36 LDB: ============= START OF LOAD BALANCING ============== 6949.66 LDB: Largest compute 4849 load 0.027591 is 23.4% of average load 0.118057 LDB: Average compute 0.001722 is 1.5% of average load 0.118057 LDB: TIME 6949.67 LOAD: AVG 0.118057 MAX 0.202786 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 6949.67 LOAD: AVG 0.118057 MAX 0.202786 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: TIME 6949.67 LOAD: AVG 0.118057 MAX 0.202786 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6949.67 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6949.67 PRESSURE: 2332400 84.9775 117.79 32.5064 117.789 112.816 56.9851 32.5064 56.9835 422.31 GPRESSURE: 2332400 95.0185 157.798 52.6954 121.141 164.488 57.4689 12.9907 2.63849 450.078 PRESSAVG: 2332400 25.6183 51.8888 -5.07916 51.8889 19.424 32.1128 -5.07916 32.1128 -19.3171 GPRESSAVG: 2332400 26.0336 53.014 -3.02308 49.8231 17.8218 31.06 -7.50902 31.5094 -17.5636 TIMING: 2332400 CPU: 6946.54, 0.00307432/step Wall: 6946.54, 0.00307432/step, 2.27807 hours remaining, 205.414062 MB of memory in use. ENERGY: 2332400 719.4570 2062.9840 1916.1016 115.3549 -206664.4948 18100.6315 0.0000 0.0000 34404.8805 -149345.0853 300.4664 -183749.9658 -149251.3586 299.6204 206.7011 236.5282 556079.3650 8.5751 8.7639 PRESSURE: 2332600 -78.6693 30.2027 5.0405 30.2025 247.901 -190.352 5.04103 -190.352 89.8397 GPRESSURE: 2332600 -22.4281 -12.198 20.7457 120.154 209.474 -186.993 16.5332 -175.408 163.928 PRESSAVG: 2332600 -6.98713 22.1422 1.14533 22.1421 -10.1321 -14.4729 1.14525 -14.4729 -13.8048 GPRESSAVG: 2332600 -7.52941 21.3543 1.33239 23.0406 -9.25956 -14.7666 2.24286 -13.8109 -14.1013 TIMING: 2332600 CPU: 6947.14, 0.0030041/step Wall: 6947.14, 0.0030041/step, 2.22587 hours remaining, 205.414062 MB of memory in use. ENERGY: 2332600 731.7428 2090.1057 1925.2562 118.3023 -206313.0188 17884.6001 0.0000 0.0000 34191.3313 -149371.6803 298.6014 -183563.0116 -149277.3743 298.8634 86.3570 116.9913 556566.5070 -10.3080 -10.2968 PRESSURE: 2332800 72.9589 113.877 34.0501 113.878 77.7548 88.2026 34.0507 88.2019 -120.705 GPRESSURE: 2332800 130.617 98.4717 72.617 94.3221 96.4675 56.4434 32.4147 95.7059 -91.5059 PRESSAVG: 2332800 -62.4045 86.6425 -30.4524 86.6426 64.9336 -64.9241 -30.4525 -64.9241 -1.3303 GPRESSAVG: 2332800 -62.6804 84.9531 -28.971 85.4958 65.844 -62.2382 -31.9129 -65.5943 -1.33907 TIMING: 2332800 CPU: 6947.75, 0.00300502/step Wall: 6947.75, 0.00300502/step, 2.22639 hours remaining, 205.414062 MB of memory in use. ENERGY: 2332800 741.9520 2128.8091 1944.9687 110.6315 -206497.1377 17869.7022 0.0000 0.0000 34407.0754 -149293.9989 300.4855 -183701.0743 -149199.6664 299.1504 10.0028 45.1928 556762.7345 0.3996 0.6082 PRESSURE: 2333000 128.743 1.93351 144.625 1.93243 52.9797 35.3343 144.625 35.3348 73.111 GPRESSURE: 2333000 153.547 -13.5229 94.3567 -85.7478 113.11 64.1025 185.746 9.88914 95.1558 PRESSAVG: 2333000 -47.1682 6.97723 -7.55938 6.97721 34.327 -57.849 -7.55941 -57.8489 -0.140538 GPRESSAVG: 2333000 -46.0853 10.4386 -9.98297 7.25295 33.7639 -58.2845 -7.07021 -58.88 -1.00972 TIMING: 2333000 CPU: 6948.35, 0.00301289/step Wall: 6948.35, 0.00301289/step, 2.23205 hours remaining, 205.414062 MB of memory in use. ENERGY: 2333000 756.2534 2080.1657 1933.1465 114.2920 -206246.2126 17868.4999 0.0000 0.0000 34191.4866 -149302.3684 298.6028 -183493.8550 -149202.9467 299.6024 84.9445 120.6041 556887.8497 -4.3273 -4.4437 PRESSURE: 2333200 278.246 64.5885 -16.0794 64.5885 -88.1082 18.4331 -16.0786 18.433 -70.1275 GPRESSURE: 2333200 307.736 78.0728 -84.189 80.8366 -22.2613 107.293 -18.003 -52.2204 -71.6128 PRESSAVG: 2333200 20.8749 -12.3842 -1.84643 -12.3842 -34.9864 -31.0106 -1.84645 -31.0106 -30.6202 GPRESSAVG: 2333200 20.188 -14.5549 -1.29661 -9.41654 -34.578 -32.7303 -0.494465 -27.7718 -30.4539 TIMING: 2333200 CPU: 6948.95, 0.00302258/step Wall: 6948.95, 0.00302258/step, 2.23906 hours remaining, 205.414062 MB of memory in use. ENERGY: 2333200 693.5075 2117.5814 1959.7438 117.3062 -206145.5409 17729.5856 0.0000 0.0000 34163.9757 -149363.8407 298.3625 -183527.8164 -149261.5646 299.1445 40.0034 71.2873 557272.3739 -14.9106 -14.9480 PRESSURE: 2333400 -44.4993 122.869 110.056 122.868 392.228 173.14 110.055 173.138 150.856 GPRESSURE: 2333400 -0.683389 75.9974 83.2619 132.119 403.19 127.952 27.092 184.809 174.847 PRESSAVG: 2333400 24.6722 1.74803 22.7082 1.74803 -12.0831 21.7962 22.7082 21.7961 4.29344 GPRESSAVG: 2333400 25.8821 6.00299 24.3494 -1.89429 -12.5862 25.9125 20.6238 19.2016 3.44738 TIMING: 2333400 CPU: 6949.55, 0.00300326/step Wall: 6949.55, 0.00300326/step, 2.22458 hours remaining, 205.414062 MB of memory in use. ENERGY: 2333400 727.8777 2102.6896 1960.0298 107.5809 -207070.4501 18188.7457 0.0000 0.0000 34554.4999 -149429.0265 301.7730 -183983.5264 -149329.1195 298.4730 166.1948 192.4513 556356.3262 5.6275 5.5811 PRESSURE: 2333600 -72.4383 94.7144 37.3379 94.7152 136.857 216.806 37.339 216.807 39.9422 GPRESSURE: 2333600 -74.2252 84.9213 74.4758 58.8956 159.013 350.795 12.8323 253.902 111.333 PRESSAVG: 2333600 33.7309 39.5432 42.8591 39.5432 42.9385 27.1748 42.8592 27.1749 -49.7333 GPRESSAVG: 2333600 33.1949 37.5279 43.1096 41.978 41.9252 25.6923 42.6299 26.3418 -48.2642 TIMING: 2333600 CPU: 6950.16, 0.00301034/step Wall: 6950.16, 0.00301034/step, 2.22966 hours remaining, 205.414062 MB of memory in use. ENERGY: 2333600 735.5448 2046.6066 1960.3705 114.7837 -206503.1888 18021.3492 0.0000 0.0000 34286.5684 -149337.9656 299.4331 -183624.5339 -149238.2522 299.2880 34.7869 65.3735 557000.3769 8.9787 8.9520 PRESSURE: 2333800 -183.487 38.6858 34.8515 38.6865 101.465 29.0005 34.8529 29.0001 -77.9066 GPRESSURE: 2333800 -103.096 21.3744 81.3257 17.482 89.8278 51.4954 43.1169 14.5296 -34.1398 PRESSAVG: 2333800 -32.093 -43.6368 67.1805 -43.6368 46.4562 34.7178 67.1806 34.7177 -9.04505 GPRESSAVG: 2333800 -33.4267 -43.8308 63.262 -45.7341 48.6915 34.7536 68.5162 32.8017 -10.3342 TIMING: 2333800 CPU: 6950.75, 0.0029868/step Wall: 6950.75, 0.0029868/step, 2.21205 hours remaining, 205.414062 MB of memory in use. ENERGY: 2333800 718.5780 2035.9532 1976.9962 123.5222 -206469.1566 17789.2278 0.0000 0.0000 34356.1893 -149468.6899 300.0411 -183824.8792 -149365.7406 299.2366 -53.3095 -15.8028 558388.2562 1.7727 1.6435 PRESSURE: 2334000 -0.234159 -38.2138 193.466 -38.215 199.615 -168.849 193.467 -168.85 -134.681 GPRESSURE: 2334000 45.9753 -16.3653 198.379 -122.653 247.475 -174.178 171.302 -112.182 -135.528 PRESSAVG: 2334000 13.3049 -10.4991 4.50417 -10.4993 11.4049 22.7338 4.50408 22.7338 -0.235628 GPRESSAVG: 2334000 14.2043 -9.57667 6.73772 -11.581 9.80582 22.7906 2.72676 24.5358 0.391974 TIMING: 2334000 CPU: 6951.35, 0.00296868/step Wall: 6951.35, 0.00296868/step, 2.19847 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: 2334000 740.8684 2050.6102 1962.7233 109.7938 -206424.7830 17888.3971 0.0000 0.0000 34369.1600 -149303.2301 300.1544 -183672.3901 -149206.1306 298.4407 21.5667 52.6407 557797.2071 8.1580 8.1340 PRESSURE: 2334200 148.267 140.993 89.7212 140.996 31.1225 -43.0554 89.7229 -43.0567 -215.76 GPRESSURE: 2334200 96.7768 53.3337 76.0377 174.669 52.5581 -74.6479 110.695 -91.3035 -94.6028 PRESSAVG: 2334200 -23.0178 -17.7301 75.942 -17.7301 6.66079 1.64763 75.9421 1.64768 -21.3949 GPRESSAVG: 2334200 -24.9785 -19.1208 75.7988 -16.6266 8.56627 0.664104 77.8536 0.959101 -21.3199 TIMING: 2334200 CPU: 6951.94, 0.0029696/step Wall: 6951.94, 0.0029696/step, 2.19899 hours remaining, 205.414062 MB of memory in use. ENERGY: 2334200 748.2262 2057.2994 1949.9184 120.9941 -206168.3533 17970.3047 0.0000 0.0000 34101.2633 -149220.3470 297.8148 -183321.6103 -149121.2791 298.8793 -12.1235 18.2441 557984.7860 -12.5840 -12.5774 PRESSURE: 2334400 -75.3201 -81.2382 98.7574 -81.2394 -411.714 1.80462 98.7568 1.80537 236.343 GPRESSURE: 2334400 -48.7474 -81.9952 51.942 -81.4339 -386.877 30.5617 94.4476 -21.1358 269.664 PRESSAVG: 2334400 1.17417 3.34754 -26.1934 3.34751 10.232 -10.685 -26.1935 -10.685 31.5992 GPRESSAVG: 2334400 3.59881 4.01605 -26.4653 3.86908 8.80937 -10.6562 -27.3635 -10.5208 30.5157 TIMING: 2334400 CPU: 6952.53, 0.00297112/step Wall: 6952.53, 0.00297112/step, 2.19995 hours remaining, 205.414062 MB of memory in use. ENERGY: 2334400 747.5232 2088.6287 1933.5120 127.9344 -206190.2087 17634.2485 0.0000 0.0000 34438.4892 -149219.8726 300.7599 -183658.3619 -149128.9830 299.4266 -83.5637 -55.3202 556192.7266 14.3351 14.3080 PRESSURE: 2334600 -6.91726 53.1794 -32.0979 53.1784 -16.3902 -18.5306 -32.0997 -18.5298 -64.4998 GPRESSURE: 2334600 50.1661 85.4152 0.482029 63.1908 3.64572 15.92 -56.9926 -66.685 -48.4954 PRESSAVG: 2334600 -8.71343 8.50969 -37.0878 8.50978 -21.2368 -4.63057 -37.0878 -4.63067 24.6741 GPRESSAVG: 2334600 -8.47971 8.35193 -36.5735 8.94557 -21.7897 -4.28484 -35.1437 -5.49645 24.3714 TIMING: 2334600 CPU: 6953.13, 0.00296284/step Wall: 6953.13, 0.00296284/step, 2.19365 hours remaining, 205.414062 MB of memory in use. ENERGY: 2334600 764.8555 2107.8474 1949.3568 115.8202 -206103.3640 17597.9169 0.0000 0.0000 34274.3360 -149293.2312 299.3263 -183567.5672 -149195.6302 299.1178 -29.2691 1.7721 555200.3108 -1.7587 -1.9660 PRESSURE: 2334800 164.755 55.2623 31.7278 55.2639 197.301 -43.3752 31.7269 -43.3738 -83.0265 GPRESSURE: 2334800 176.528 52.2551 -54.6119 90.0274 202.244 -92.2469 97.99 -45.6123 4.54353 PRESSAVG: 2334800 -8.94721 53.7695 -16.9683 53.7695 90.5302 -7.33156 -16.9683 -7.33158 -52.1767 GPRESSAVG: 2334800 -10.5571 53.0851 -17.3594 52.9767 90.4546 -7.18155 -20.0953 -6.66273 -50.739 TIMING: 2334800 CPU: 6953.73, 0.0029904/step Wall: 6953.73, 0.0029904/step, 2.21389 hours remaining, 205.414062 MB of memory in use. ENERGY: 2334800 732.4609 2081.0493 1932.9142 114.0163 -206451.3667 17979.1842 0.0000 0.0000 34275.4485 -149336.2933 299.3360 -183611.7418 -149238.0063 298.9492 93.0098 127.7718 557284.6744 9.8021 9.7195 PRESSURE: 2335000 -185.558 -121.618 61.8064 -121.618 -51.6285 71.256 61.8064 71.2557 -149.262 GPRESSURE: 2335000 -129.93 -81.8647 39.3144 -175.244 -83.7311 57.6187 80.3758 68.3927 -84.0014 PRESSAVG: 2335000 44.2423 11.5802 -2.4263 11.5802 -48.022 -17.1122 -2.4263 -17.1124 8.15476 GPRESSAVG: 2335000 44.6809 14.918 -0.628376 11.358 -46.6058 -20.0297 -0.22981 -17.9172 6.93918 TIMING: 2335000 CPU: 6954.32, 0.00297878/step Wall: 6954.32, 0.00297878/step, 2.20512 hours remaining, 205.414062 MB of memory in use. ENERGY: 2335000 744.5176 2095.9022 1943.8337 106.4375 -205890.4540 17705.7990 0.0000 0.0000 34113.4190 -149180.5450 297.9210 -183293.9639 -149097.3819 299.0429 -128.8162 -99.2207 559449.2978 1.4584 1.6714 PRESSURE: 2335200 -267.905 -16.3725 48.7057 -16.3726 -167.534 -69.4304 48.7045 -69.4314 96.4785 GPRESSURE: 2335200 -228.462 9.27048 63.5108 5.75286 -105.579 -25.9263 21.6189 -17.9081 86.1463 PRESSAVG: 2335200 -25.873 -30.8323 47.8071 -30.8323 -31.9029 -18.5111 47.8071 -18.5113 36.1283 GPRESSAVG: 2335200 -26.2359 -32.4875 46.4514 -28.2152 -32.0298 -15.7321 47.9254 -17.9228 36.3596 TIMING: 2335200 CPU: 6954.92, 0.0029695/step Wall: 6954.92, 0.0029695/step, 2.19809 hours remaining, 205.414062 MB of memory in use. ENERGY: 2335200 730.1123 2074.5750 1942.2664 113.3036 -206067.1038 17595.9192 0.0000 0.0000 34391.1219 -149219.8055 300.3462 -183610.9274 -149121.3435 299.3365 -112.9868 -82.6313 559539.9108 -7.2159 -7.3020 PRESSURE: 2335400 232.632 -53.2317 -138.964 -53.2316 -259.144 43.6114 -138.963 43.6117 -54.7434 GPRESSURE: 2335400 273.371 -133.58 -77.5378 66.4873 -189.797 -3.27367 -115.28 80.9595 -60.5486 PRESSAVG: 2335400 20.6756 17.8488 -4.5506 17.8489 36.0397 0.260332 -4.55069 0.260267 -30.2865 GPRESSAVG: 2335400 20.7406 18.7509 -3.5234 16.4244 36.0881 -0.989364 -3.77094 0.951916 -29.9085 TIMING: 2335400 CPU: 6955.51, 0.00297109/step Wall: 6955.51, 0.00297109/step, 2.1991 hours remaining, 205.414062 MB of memory in use. ENERGY: 2335400 758.7948 2006.3979 1953.6684 104.4648 -206293.9212 17951.1459 0.0000 0.0000 34310.3445 -149209.1049 299.6408 -183519.4494 -149108.6397 299.5313 -27.0851 7.6751 557579.6679 8.8096 8.9734 PRESSURE: 2335600 -282.907 5.77814 121.688 5.77678 195.033 31.1251 121.688 31.1267 -60.2367 GPRESSURE: 2335600 -221.137 -45.0668 121.629 26.2956 152.251 9.87349 135.458 73.5655 21.7851 PRESSAVG: 2335600 37.2571 -11.6764 -9.2429 -11.6764 35.841 23.6097 -9.24284 23.6097 -46.6249 GPRESSAVG: 2335600 38.2048 -12.9325 -9.97249 -13.7709 34.9663 24.1355 -12.2662 23.0407 -47.1155 TIMING: 2335600 CPU: 6956.11, 0.00299937/step Wall: 6956.11, 0.00299937/step, 2.21987 hours remaining, 205.414062 MB of memory in use. ENERGY: 2335600 725.5319 2048.5394 1983.8228 121.2270 -205873.8693 17798.2505 0.0000 0.0000 33972.6908 -149223.8067 296.6920 -183196.4975 -149126.2157 298.6876 -49.3705 -15.7005 558553.9563 8.8244 8.6852 PRESSURE: 2335800 57.4992 23.3224 203.523 23.3231 -51.2097 -88.7264 203.522 -88.7275 51.628 GPRESSURE: 2335800 91.5465 14.1507 178.354 32.3792 -21.2035 -108.221 186.153 -98.9459 86.1603 PRESSAVG: 2335800 25.3028 31.6764 28.8635 31.6764 -27.2133 -79.8297 28.8635 -79.8298 28.2973 GPRESSAVG: 2335800 24.1824 31.1115 25.8515 34.342 -26.8388 -80.5298 30.7626 -78.1689 29.1368 TIMING: 2335800 CPU: 6956.71, 0.00298394/step Wall: 6956.71, 0.00298394/step, 2.20828 hours remaining, 205.468750 MB of memory in use. ENERGY: 2335800 760.7763 2053.7583 1952.0717 110.2671 -206203.6456 17705.7903 0.0000 0.0000 34368.9447 -149252.0372 300.1525 -183620.9819 -149156.3529 298.6778 19.3058 52.1677 556858.3033 8.7956 8.8268 PRESSURE: 2336000 -108.129 6.32595 -29.6811 6.32532 112.891 -111.565 -29.6829 -111.566 120.551 GPRESSURE: 2336000 -39.4357 48.6029 -77.3021 3.25798 125.863 -98.2521 5.55179 -146.553 137.374 PRESSAVG: 2336000 -21.427 0.31039 49.3972 0.310458 35.5275 -38.1311 49.3972 -38.1312 24.0983 GPRESSAVG: 2336000 -20.7531 -0.0478976 52.1841 -0.904062 34.9535 -37.1992 48.645 -39.5692 23.8689 TIMING: 2336000 CPU: 6957.31, 0.00300778/step Wall: 6957.31, 0.00300778/step, 2.22576 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: 2336000 740.5295 2119.3409 1976.2085 124.5993 -206266.6086 17879.3995 0.0000 0.0000 34161.8849 -149264.6461 298.3442 -183426.5310 -149161.4681 298.8236 41.7711 74.6003 557250.9180 12.7329 12.6898 PRESSURE: 2336200 -16.7036 75.2786 89.1417 75.2801 161.308 -36.4568 89.1415 -36.4574 -49.8817 GPRESSURE: 2336200 24.1827 79.6819 135.854 11.4609 177.688 -84.2827 94.6464 -43.7021 -16.7943 PRESSAVG: 2336200 -9.45849 44.5681 18.3274 44.5682 29.926 -26.5256 18.3274 -26.5256 26.4314 GPRESSAVG: 2336200 -9.36382 44.1645 17.5985 46.4657 30.648 -26.9632 19.4657 -25.5117 25.7999 TIMING: 2336200 CPU: 6957.9, 0.00296093/step Wall: 6957.9, 0.00296093/step, 2.19092 hours remaining, 205.468750 MB of memory in use. ENERGY: 2336200 735.9430 2072.7219 1986.3833 109.6347 -206321.8779 18013.4042 0.0000 0.0000 34325.8760 -149077.9148 299.7764 -183403.7908 -148976.6973 299.8367 31.5743 61.6921 558324.9650 15.6330 15.6947 LDB: ============= START OF LOAD BALANCING ============== 6961.33 LDB: ============== END OF LOAD BALANCING =============== 6961.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6961.33 LDB: ============= START OF LOAD BALANCING ============== 6961.63 LDB: Largest compute 4849 load 0.028170 is 23.9% of average load 0.118027 LDB: Average compute 0.001718 is 1.5% of average load 0.118027 LDB: TIME 6961.63 LOAD: AVG 0.118027 MAX 0.202719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.625 MB LDB: TIME 6961.63 LOAD: AVG 0.118027 MAX 0.202719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.625 MB LDB: TIME 6961.63 LOAD: AVG 0.118027 MAX 0.202719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6961.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6961.64 PRESSURE: 2336400 -197.616 -16.0422 101.11 -16.0419 -239.03 206.308 101.111 206.309 -108.723 GPRESSURE: 2336400 -205.624 -35.1832 150.609 -19.4453 -210.606 183.649 103.827 158.504 -39.0324 PRESSAVG: 2336400 -49.2631 45.9763 49.5557 45.9763 51.9947 -45.2589 49.5556 -45.2588 -18.1666 GPRESSAVG: 2336400 -49.7278 46.5609 49.0044 45.2575 52.4874 -42.498 49.377 -47.8818 -17.9469 TIMING: 2336400 CPU: 6958.51, 0.00304934/step Wall: 6958.51, 0.00304934/step, 2.25617 hours remaining, 205.917969 MB of memory in use. ENERGY: 2336400 718.6767 2088.1374 1969.4618 119.4956 -205868.0692 17624.9155 0.0000 0.0000 34229.1380 -149118.2441 298.9316 -183347.3821 -149027.3176 299.4672 -181.7896 -151.7542 558976.5619 -5.1450 -5.0624 PRESSURE: 2336600 182.272 194.462 -91.2681 194.461 85.397 -10.0957 -91.2708 -10.097 -45.1042 GPRESSURE: 2336600 216.77 225.753 -98.9845 233.763 95.2679 43.0778 -88.8635 57.9042 -0.0901951 PRESSAVG: 2336600 33.4781 -2.25819 42.9704 -2.2582 -50.4418 -1.99644 42.9705 -1.99642 -3.65581 GPRESSAVG: 2336600 35.0296 -1.90454 44.4167 -2.63691 -52.164 -2.23109 41.7961 -0.837495 -3.32517 TIMING: 2336600 CPU: 6959.11, 0.00299791/step Wall: 6959.11, 0.00299791/step, 2.21795 hours remaining, 206.121094 MB of memory in use. ENERGY: 2336600 770.2250 2118.6248 1926.6305 110.9584 -206397.2554 17954.1194 0.0000 0.0000 34342.2201 -149174.4771 299.9191 -183516.6972 -149086.8022 299.7166 74.1883 103.9824 557086.9135 -6.8732 -6.8199 PRESSURE: 2336800 -309.626 125.534 64.315 125.534 -175.12 -8.91017 64.3151 -8.90943 -165.52 GPRESSURE: 2336800 -311.053 163.763 69.2522 21.64 -165.721 39.1634 -0.17085 -116.149 -83.7021 PRESSAVG: 2336800 7.47497 62.2983 -12.1174 62.2983 77.3464 -48.3095 -12.1175 -48.3094 -47.3666 GPRESSAVG: 2336800 6.83123 62.9859 -12.2364 62.2078 78.3724 -50.1221 -12.6986 -47.083 -47.8937 TIMING: 2336800 CPU: 6959.71, 0.00299345/step Wall: 6959.71, 0.00299345/step, 2.21448 hours remaining, 206.121094 MB of memory in use. ENERGY: 2336800 726.2089 2122.3475 1962.8494 128.9020 -205739.4033 17635.7730 0.0000 0.0000 34148.3796 -149014.9429 298.2263 -183163.3225 -148913.4054 299.6838 -216.7551 -186.8253 559526.3492 12.4849 12.4367 PRESSURE: 2337000 -31.1442 152.121 -50.0872 152.121 -14.3606 25.3292 -50.0869 25.3295 -173.447 GPRESSURE: 2337000 -43.2539 164.175 -105.808 189.482 26.7544 -0.135241 12.446 117.177 -86.1834 PRESSAVG: 2337000 10.884 12.2713 -11.5553 12.2714 -37.16 -0.416417 -11.5551 -0.41635 -13.1694 GPRESSAVG: 2337000 10.8101 11.9574 -13.0536 12.6969 -38.1002 0.840643 -10.0576 -1.59949 -11.7817 TIMING: 2337000 CPU: 6960.31, 0.00300104/step Wall: 6960.31, 0.00300104/step, 2.21994 hours remaining, 206.121094 MB of memory in use. ENERGY: 2337000 715.4111 2104.6007 1972.8552 114.5126 -205675.6819 17668.8440 0.0000 0.0000 34154.7435 -148944.7149 298.2819 -183099.4584 -148854.4446 299.4238 -72.9840 -34.2276 559520.4604 -13.1485 -13.0240 PRESSURE: 2337200 -17.9127 45.2688 47.0592 45.2678 77.7321 123.85 47.06 123.851 29.3004 GPRESSURE: 2337200 -40.3707 30.1239 63.367 -3.55319 171.905 91.271 67.2759 114.269 57.7112 PRESSAVG: 2337200 -7.24153 39.7633 59.2189 39.7634 19.3699 1.87899 59.2188 1.87901 23.2776 GPRESSAVG: 2337200 -6.76244 39.3777 59.6614 41.47 20.2565 1.25864 59.5959 5.16337 22.0318 TIMING: 2337200 CPU: 6960.91, 0.00299542/step Wall: 6960.91, 0.00299542/step, 2.21561 hours remaining, 206.121094 MB of memory in use. ENERGY: 2337200 713.7524 2080.0780 1951.9232 111.7562 -206444.6008 17939.5429 0.0000 0.0000 34677.3657 -148970.1825 302.8461 -183647.5482 -148871.0323 300.0376 29.7066 63.0819 557590.8154 11.8020 11.8420 PRESSURE: 2337400 39.4452 106.932 99.4901 106.933 -32.8094 -34.4181 99.4899 -34.4192 -14.856 GPRESSURE: 2337400 57.941 90.1828 91.4248 23.2431 -8.86133 -31.777 116.571 -25.2522 36.8316 PRESSAVG: 2337400 -23.6703 -38.3737 40.8249 -38.3738 11.1882 -20.2679 40.825 -20.268 9.65432 GPRESSAVG: 2337400 -23.9551 -38.9861 40.9535 -40.3204 11.2352 -20.533 41.6324 -22.8688 9.68705 TIMING: 2337400 CPU: 6961.5, 0.00298531/step Wall: 6961.5, 0.00298531/step, 2.20797 hours remaining, 206.121094 MB of memory in use. ENERGY: 2337400 732.7469 2086.3585 1956.2148 122.8465 -206059.5561 17788.2842 0.0000 0.0000 34232.4412 -149140.6640 298.9604 -183373.1052 -149048.0040 299.9174 -2.7401 28.6371 557697.0783 -0.9426 -1.0110 PRESSURE: 2337600 -76.911 72.666 16.6026 72.6651 -192.792 -30.3093 16.6026 -30.3077 -65.5453 GPRESSURE: 2337600 5.40881 47.8861 6.68995 169.118 -157.014 -103.896 -40.5478 5.32993 -94.205 PRESSAVG: 2337600 26.0586 -0.232531 6.49569 -0.232485 -21.199 -17.7507 6.49556 -17.7508 -22.0131 GPRESSAVG: 2337600 27.2674 -1.58331 6.15825 0.584249 -21.6215 -17.3687 5.47527 -17.7714 -22.4234 TIMING: 2337600 CPU: 6962.1, 0.00295557/step Wall: 6962.1, 0.00295557/step, 2.18581 hours remaining, 206.121094 MB of memory in use. ENERGY: 2337600 789.8735 2083.1593 1945.3082 103.3456 -206238.7708 17772.1823 0.0000 0.0000 34222.4578 -149322.4441 298.8732 -183544.9019 -149223.3401 299.0252 -111.7493 -81.9368 557839.1568 -5.7178 -5.5925 PRESSURE: 2337800 -260.676 -106.298 36.2528 -106.298 -13.6803 184.085 36.2537 184.084 22.1911 GPRESSURE: 2337800 -222.242 -78.8663 38.118 -133.888 -36.5214 177.05 -13.2686 68.8519 106.498 PRESSAVG: 2337800 -27.6899 -65.812 18.6878 -65.812 44.241 -47.3405 18.6878 -47.3404 -25.1674 GPRESSAVG: 2337800 -28.3358 -64.3954 18.5938 -66.0432 44.0584 -48.7797 19.7228 -46.8919 -24.9462 TIMING: 2337800 CPU: 6962.69, 0.0029786/step Wall: 6962.69, 0.0029786/step, 2.20267 hours remaining, 206.121094 MB of memory in use. ENERGY: 2337800 746.8767 2086.9282 1951.4583 113.3629 -206207.4392 17563.4575 0.0000 0.0000 34416.9567 -149328.3988 300.5718 -183745.3555 -149227.3207 299.1008 -84.0550 -50.7553 556790.6479 -2.8721 -3.0745 PRESSURE: 2338000 -10.5781 -82.3741 -108.315 -82.3736 -240.824 116.764 -108.315 116.764 -206.746 GPRESSURE: 2338000 -27.2688 -19.7826 -34.945 -111.373 -193.801 68.5672 -83.1873 113.068 -144.56 PRESSAVG: 2338000 -50.4525 -40.7325 30.2576 -40.7326 19.0734 23.6203 30.2575 23.6205 45.153 GPRESSAVG: 2338000 -50.6994 -41.2523 31.3668 -40.5859 19.8958 24.515 29.7756 22.3094 44.5943 TIMING: 2338000 CPU: 6963.29, 0.00297147/step Wall: 6963.29, 0.00297147/step, 2.19724 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: 2338000 759.9317 2163.0077 1941.8918 110.8329 -206140.3148 17673.8526 0.0000 0.0000 34168.6100 -149322.1881 298.4030 -183490.7981 -149225.5202 298.9150 -152.7163 -121.8768 558178.5921 4.5913 4.5969 PRESSURE: 2338200 104.539 -23.2516 -11.4795 -23.2508 205.274 9.75132 -11.4795 9.75217 -6.57257 GPRESSURE: 2338200 131.709 -22.123 28.4518 -20.1248 187.731 -23.9262 9.14557 -0.356929 78.5645 PRESSAVG: 2338200 9.5177 -25.9347 26.3788 -25.9347 20.6424 25.8435 26.3789 25.8435 -7.76849 GPRESSAVG: 2338200 9.22057 -24.849 28.1918 -26.8263 19.7525 26.0636 24.4982 27.5867 -6.66958 TIMING: 2338200 CPU: 6963.88, 0.00298633/step Wall: 6963.88, 0.00298633/step, 2.20806 hours remaining, 206.121094 MB of memory in use. ENERGY: 2338200 723.5516 2085.6114 1936.7790 124.4210 -205833.9287 17800.4054 0.0000 0.0000 33953.5695 -149209.5908 296.5250 -183163.1603 -149119.0894 298.5299 101.0802 132.6683 557477.4610 7.4639 7.4345 PRESSURE: 2338400 -37.1331 -24.4498 80.5259 -24.4501 91.257 -30.8905 80.5251 -30.891 -83.77 GPRESSURE: 2338400 -39.0258 -45.0254 44.1786 34.1757 154.734 95.5757 60.0101 -133.237 -53.187 PRESSAVG: 2338400 -32.6301 1.02577 37.2344 1.02571 7.01569 -6.05312 37.2343 -6.05309 19.5009 GPRESSAVG: 2338400 -31.5951 0.786552 35.6844 2.28556 8.29442 -5.91423 37.2216 -7.45019 17.4114 TIMING: 2338400 CPU: 6964.48, 0.00298692/step Wall: 6964.48, 0.00298692/step, 2.20833 hours remaining, 206.121094 MB of memory in use. ENERGY: 2338400 741.4061 2081.7824 1937.0481 119.6261 -205898.3704 17548.5074 0.0000 0.0000 34460.7329 -149009.2673 300.9542 -183470.0002 -148915.0372 299.6263 -9.8820 20.8402 556899.7848 -2.0378 -1.9631 PRESSURE: 2338600 -29.3158 145.829 -31.9735 145.828 143.821 -136.77 -31.9736 -136.77 -141.403 GPRESSURE: 2338600 14.3882 108.906 -33.1102 123.037 145.755 -92.3537 18.5542 -179.31 -95.7695 PRESSAVG: 2338600 -78.8438 21.7451 35.9444 21.7451 103.596 -25.1643 35.9444 -25.1643 3.88469 GPRESSAVG: 2338600 -79.9165 22.4151 36.0777 19.5636 102.661 -24.2806 37.1544 -24.8425 5.38288 TIMING: 2338600 CPU: 6965.08, 0.0029877/step Wall: 6965.08, 0.0029877/step, 2.20874 hours remaining, 206.121094 MB of memory in use. ENERGY: 2338600 781.4707 2143.8251 1953.3543 129.2928 -206346.4830 17886.6085 0.0000 0.0000 34380.6475 -149071.2839 300.2547 -183451.9315 -148983.4311 300.1119 -8.9658 21.4577 556892.1932 9.5456 9.3758 PRESSURE: 2338800 -194.838 -1.12417 -152.318 -1.12501 -109.15 -98.2179 -152.318 -98.2168 -377.787 GPRESSURE: 2338800 -191.42 -2.2736 -158.888 22.5399 -98.8796 -113.711 -112.401 -122.772 -315.428 PRESSAVG: 2338800 -32.2473 -13.9082 5.09318 -13.9083 52.5162 -44.4954 5.09319 -44.4954 -10.2857 GPRESSAVG: 2338800 -31.7089 -13.4017 4.7592 -13.6417 51.8064 -45.1207 6.03126 -45.1572 -10.2722 TIMING: 2338800 CPU: 6965.68, 0.0029877/step Wall: 6965.68, 0.0029877/step, 2.20857 hours remaining, 206.121094 MB of memory in use. ENERGY: 2338800 767.7946 2111.8609 1957.1750 105.0716 -205860.6903 17678.2244 0.0000 0.0000 34145.6567 -149094.9071 298.2025 -183240.5638 -148996.4106 299.0700 -227.2581 -201.9094 559940.6369 3.3278 3.2751 PRESSURE: 2339000 11.5767 2.24739 -100.325 2.24893 -43.9575 87.7831 -100.325 87.7817 25.2587 GPRESSURE: 2339000 40.6033 68.1033 1.60835 35.2704 -44.5537 105.19 -64.6682 78.6075 97.8194 PRESSAVG: 2339000 15.4146 35.1394 17.8935 35.1395 -24.9583 22.9607 17.8934 22.9607 21.0276 GPRESSAVG: 2339000 15.6177 34.1685 19.0405 37.0658 -24.0555 22.3574 17.2648 24.3997 20.655 TIMING: 2339000 CPU: 6966.27, 0.00298706/step Wall: 6966.27, 0.00298706/step, 2.20794 hours remaining, 206.121094 MB of memory in use. ENERGY: 2339000 746.4990 2085.7931 1932.9137 110.9384 -206095.3915 17799.5003 0.0000 0.0000 34271.5832 -149148.1638 299.3023 -183419.7470 -149052.0570 299.4696 -2.3740 31.2897 558645.2366 3.8280 4.0724 PRESSURE: 2339200 -390.733 -17.4404 49.43 -17.4407 -71.9396 115.769 49.4295 115.77 47.2889 GPRESSURE: 2339200 -348.765 84.5548 77.3872 -68.8842 -74.91 1.82153 10.2067 157.446 100.507 PRESSAVG: 2339200 84.9569 -45.2802 7.74103 -45.2802 -54.6187 5.84503 7.74105 5.84506 -12.5063 GPRESSAVG: 2339200 85.2431 -47.1028 7.70629 -45.2443 -55.0921 5.56645 6.30736 4.78784 -12.2492 TIMING: 2339200 CPU: 6966.87, 0.0030066/step Wall: 6966.87, 0.0030066/step, 2.22221 hours remaining, 206.121094 MB of memory in use. ENERGY: 2339200 722.5724 2098.4209 1971.7689 114.1277 -205773.6481 17575.5830 0.0000 0.0000 34196.1075 -149095.0678 298.6431 -183291.1753 -149001.9561 299.5794 -138.4612 -107.7225 558413.7610 5.9439 5.9673 PRESSURE: 2339400 186.172 198.063 88.4701 198.063 -8.21141 -112.103 88.4705 -112.104 201.945 GPRESSURE: 2339400 238.026 164.527 47.4576 231.417 34.9367 -140.767 45.3804 -10.4642 197.167 PRESSAVG: 2339400 3.90714 1.21812 34.6688 1.2181 -38.0022 -57.7323 34.6689 -57.7323 27.1636 GPRESSAVG: 2339400 4.90692 3.08612 32.131 -0.0199439 -37.7518 -55.9902 37.4826 -57.1999 26.0737 TIMING: 2339400 CPU: 6967.48, 0.00302023/step Wall: 6967.48, 0.00302023/step, 2.23212 hours remaining, 206.121094 MB of memory in use. ENERGY: 2339400 719.7426 2084.6046 1954.4772 112.1247 -206099.2037 17731.4589 0.0000 0.0000 34161.8388 -149334.9569 298.3438 -183496.7957 -149240.4396 299.7697 126.6351 156.7100 556851.2341 -2.3105 -2.2571 PRESSURE: 2339600 73.8733 103.276 -141.176 103.276 194.285 127.741 -141.177 127.743 31.4145 GPRESSURE: 2339600 98.3543 57.7572 -84.312 84.732 210.982 76.5284 -208.129 41.2732 85.3983 PRESSAVG: 2339600 133.943 -2.94709 -10.2125 -2.94708 -21.789 -17.8783 -10.2125 -17.8782 -59.1544 GPRESSAVG: 2339600 132.981 -5.43082 -10.32 -1.81571 -21.0529 -17.9668 -9.89721 -17.5798 -58.7245 TIMING: 2339600 CPU: 6968.08, 0.0030141/step Wall: 6968.08, 0.0030141/step, 2.22742 hours remaining, 206.121094 MB of memory in use. ENERGY: 2339600 764.5547 2100.0458 1941.9633 105.3623 -206699.5677 18054.9162 0.0000 0.0000 34317.3200 -149415.4053 299.7017 -183732.7253 -149321.1308 298.9876 99.8578 131.5782 555576.5881 17.6664 17.7347 PRESSURE: 2339800 71.7602 11.5546 98.6533 11.5547 -197.761 -14.6607 98.6527 -14.6597 -142.242 GPRESSURE: 2339800 93.7718 122.676 98.3003 -24.0847 -136.083 27.4931 108.069 -92.6747 -135.424 PRESSAVG: 2339800 81.4475 -63.7214 -53.496 -63.7214 12.1516 30.9957 -53.496 30.9957 -41.8713 GPRESSAVG: 2339800 80.7207 -62.2454 -52.4044 -64.7259 12.9088 31.1575 -55.35 30.6424 -42.0733 TIMING: 2339800 CPU: 6968.68, 0.00299697/step Wall: 6968.68, 0.00299696/step, 2.21459 hours remaining, 206.121094 MB of memory in use. ENERGY: 2339800 728.0227 2055.7502 1911.6642 117.1393 -206046.1383 17540.0128 0.0000 0.0000 34348.1393 -149345.4097 299.9708 -183693.5491 -149252.7084 299.1837 -89.4140 -59.2448 556610.1928 17.2426 17.1854 PRESSURE: 2340000 165.705 -171.577 94.3698 -171.577 -316.68 62.2949 94.3691 62.2956 -159.421 GPRESSURE: 2340000 241.152 -256.019 90.8679 -48.9966 -280.343 71.9692 64.7407 84.017 -184.523 PRESSAVG: 2340000 20.3404 -83.0817 42.0646 -83.0817 -64.6403 -1.96971 42.0646 -1.96962 -27.4436 GPRESSAVG: 2340000 20.5695 -83.0673 43.4843 -82.0946 -65.0621 -2.56946 42.5623 -2.68876 -27.2049 TIMING: 2340000 CPU: 6969.28, 0.0029915/step Wall: 6969.28, 0.0029915/step, 2.21039 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: 2340000 707.8165 2028.9647 1938.0969 105.1431 -205675.6807 17541.4761 0.0000 0.0000 34172.6008 -149181.5825 298.4378 -183354.1833 -149083.4972 298.7135 -103.4651 -74.5710 557812.9276 -23.9145 -23.8992 PRESSURE: 2340200 160.624 -197.535 107.355 -197.534 -143.491 -52.9472 107.356 -52.9462 -161.641 GPRESSURE: 2340200 200.75 -249.64 108.816 -242.073 -151.713 -6.67144 28.8717 3.03556 -102.601 PRESSAVG: 2340200 37.5665 -41.6705 16.4851 -41.6705 -88.3641 39.0198 16.4852 39.0198 0.240652 GPRESSAVG: 2340200 38.3864 -40.8301 15.9898 -42.5364 -88.4404 39.3949 16.416 40.0158 -0.602179 TIMING: 2340200 CPU: 6969.88, 0.00300902/step Wall: 6969.88, 0.00300902/step, 2.22317 hours remaining, 206.121094 MB of memory in use. ENERGY: 2340200 745.7623 2029.1787 1931.1804 105.9492 -205848.1597 17741.8603 0.0000 0.0000 34178.4181 -149115.8108 298.4886 -183294.2288 -149026.1880 299.2088 -48.1693 -17.8544 558057.7569 -16.8523 -16.8854 LDB: ============= START OF LOAD BALANCING ============== 6973.31 LDB: ============== END OF LOAD BALANCING =============== 6973.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6973.31 LDB: ============= START OF LOAD BALANCING ============== 6973.61 LDB: Largest compute 4849 load 0.027253 is 23.1% of average load 0.118118 LDB: Average compute 0.001718 is 1.5% of average load 0.118118 LDB: TIME 6973.61 LOAD: AVG 0.118118 MAX 0.202727 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.949 MB LDB: TIME 6973.61 LOAD: AVG 0.118118 MAX 0.202727 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.949 MB LDB: TIME 6973.61 LOAD: AVG 0.118118 MAX 0.202727 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6973.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6973.62 PRESSURE: 2340400 93.3633 7.92342 23.1062 7.92431 -165.386 13.2792 23.1065 13.2791 -206.074 GPRESSURE: 2340400 151.482 87.653 9.25834 49.5721 -123.398 -2.66224 -48.3609 31.5055 -210.571 PRESSAVG: 2340400 -25.3162 -16.6569 30.6291 -16.657 -6.07554 16.309 30.6291 16.3089 17.413 GPRESSAVG: 2340400 -26.8185 -17.2961 30.5534 -14.867 -5.38286 16.1859 31.2406 16.8647 18.4954 TIMING: 2340400 CPU: 6970.49, 0.00303582/step Wall: 6970.49, 0.00303582/step, 2.24279 hours remaining, 205.402344 MB of memory in use. ENERGY: 2340400 757.7920 2062.7700 1964.1216 115.3283 -206100.8706 17730.6750 0.0000 0.0000 34201.4906 -149268.6932 298.6901 -183470.1837 -149171.1310 298.7648 -92.6991 -60.8290 557510.4470 -4.6596 -4.5687 PRESSURE: 2340600 -138.61 -11.4065 -171.89 -11.4067 -166.147 -51.8479 -171.889 -51.8478 -241.966 GPRESSURE: 2340600 -71.8571 -1.29513 -113.268 -27.6736 -127.581 -95.5879 -156.043 -107.447 -255.788 PRESSAVG: 2340600 56.5305 -59.3258 -27.7632 -59.3257 18.3601 23.9827 -27.7632 23.9827 -134.913 GPRESSAVG: 2340600 57.4088 -60.27 -27.1359 -59.9332 17.6183 23.1118 -27.0816 22.9193 -134.649 TIMING: 2340600 CPU: 6971.09, 0.00298971/step Wall: 6971.09, 0.00298971/step, 2.20857 hours remaining, 205.402344 MB of memory in use. ENERGY: 2340600 759.1464 2147.3829 1923.6199 109.7038 -205792.0571 17450.0109 0.0000 0.0000 34157.8485 -149244.3446 298.3090 -183402.1931 -149149.0120 298.6373 -182.2412 -151.7421 557854.2622 -20.0076 -19.8740 PRESSURE: 2340800 -205.656 23.9654 100.848 23.9649 -319.091 -194.111 100.848 -194.11 -196.242 GPRESSURE: 2340800 -199.46 -77.7779 107.005 2.75732 -220.968 -210.879 33.1343 -157.721 -205.102 PRESSAVG: 2340800 -25.9228 -3.91024 -17.8018 -3.91033 6.34545 -10.6014 -17.8018 -10.6014 13.7919 GPRESSAVG: 2340800 -26.2995 -2.11234 -19.8015 -3.58775 6.88082 -9.05363 -18.7895 -9.13427 13.836 TIMING: 2340800 CPU: 6971.69, 0.00300753/step Wall: 6971.69, 0.00300753/step, 2.22156 hours remaining, 205.402344 MB of memory in use. ENERGY: 2340800 782.9744 2073.2825 1938.0383 118.2683 -205975.1826 17594.3689 0.0000 0.0000 34168.0175 -149300.2328 298.3978 -183468.2502 -149205.1273 299.0573 -240.3295 -208.5100 557181.9308 -1.9285 -1.8609 PRESSURE: 2341000 -186.412 -201.663 -51.721 -201.664 -119.262 -34.5753 -51.7221 -34.5754 -254.181 GPRESSURE: 2341000 -140.57 -257.18 -17.9828 -175.437 -111.707 -43.0672 -135.059 11.0119 -209.387 PRESSAVG: 2341000 -22.2904 -21.5512 12.8742 -21.5512 41.2534 -17.4897 12.8742 -17.4898 6.66275 GPRESSAVG: 2341000 -22.0553 -21.6731 14.0997 -21.9773 42.0212 -17.888 10.3774 -18.1446 6.10878 TIMING: 2341000 CPU: 6972.29, 0.00300532/step Wall: 6972.29, 0.00300532/step, 2.21976 hours remaining, 205.402344 MB of memory in use. ENERGY: 2341000 769.6248 2151.7516 1950.6509 105.5820 -206251.4258 17774.4266 0.0000 0.0000 34266.7403 -149232.6496 299.2600 -183499.3899 -149140.9951 299.7953 -186.6183 -153.8881 557658.2016 8.5419 8.6915 PRESSURE: 2341200 -214.376 29.3489 -180.193 29.3497 -207.487 156.165 -180.193 156.165 -84.5931 GPRESSURE: 2341200 -163.824 78.3836 -201.595 64.0324 -241.371 136.054 -123.664 107.59 -24.3218 PRESSAVG: 2341200 -12.0502 -76.5974 -55.4307 -76.5972 30.6165 12.6166 -55.4307 12.6166 -3.02012 GPRESSAVG: 2341200 -11.4947 -75.8898 -56.0003 -76.685 29.1348 13.7217 -52.0375 12.2217 -2.45171 TIMING: 2341200 CPU: 6972.89, 0.00300515/step Wall: 6972.89, 0.00300515/step, 2.21947 hours remaining, 205.402344 MB of memory in use. ENERGY: 2341200 751.3534 2070.6899 1963.3469 110.5792 -206084.0509 17550.1027 0.0000 0.0000 34297.8761 -149340.1026 299.5319 -183637.9787 -149250.2165 299.6882 -168.8187 -143.1724 557125.1099 5.1821 5.0628 PRESSURE: 2341400 -55.3207 128.25 28.8065 128.251 -74.192 55.058 28.8057 55.0587 -48.4341 GPRESSURE: 2341400 -57.555 78.3993 35.8672 133.225 -32.8972 34.9756 62.5468 84.691 -3.07055 PRESSAVG: 2341400 25.3993 36.0851 -47.4029 36.0851 -40.2132 37.6149 -47.4029 37.6148 11.9248 GPRESSAVG: 2341400 25.5173 34.2072 -47.8857 37.5349 -39.8921 36.6873 -47.388 38.8809 11.6808 TIMING: 2341400 CPU: 6973.49, 0.00301675/step Wall: 6973.49, 0.00301675/step, 2.22787 hours remaining, 205.402344 MB of memory in use. ENERGY: 2341400 778.2720 2166.7280 1926.8282 113.8235 -206106.8196 17660.6476 0.0000 0.0000 33944.0143 -149516.5059 296.4415 -183460.5202 -149411.7176 299.2595 -59.3156 -31.1743 557142.5685 -0.9630 -0.8980 PRESSURE: 2341600 209.933 -70.1858 -78.8761 -70.1835 34.5889 -142.99 -78.876 -142.991 305.497 GPRESSURE: 2341600 255.265 -48.4216 -112.707 -76.222 89.4267 -116.255 -75.7299 -155.059 294.727 PRESSAVG: 2341600 12.6704 -36.7833 -37.3524 -36.7832 -16.6948 8.61212 -37.3524 8.61214 -0.694977 GPRESSAVG: 2341600 11.6206 -35.9005 -35.9495 -38.316 -16.2599 9.54637 -39.8991 7.09117 -0.0499573 TIMING: 2341600 CPU: 6974.1, 0.00301737/step Wall: 6974.1, 0.00301737/step, 2.22816 hours remaining, 205.402344 MB of memory in use. ENERGY: 2341600 735.6448 2092.9458 1982.4987 111.6825 -206534.6077 17955.0768 0.0000 0.0000 34233.2271 -149423.5319 298.9673 -183656.7590 -149325.3742 298.4090 183.3397 213.1395 554207.1417 -1.5731 -1.5631 PRESSURE: 2341800 -204.084 123.055 -99.4043 123.055 -98.0017 151.828 -99.4038 151.828 -53.0271 GPRESSURE: 2341800 -128.284 138.583 -19.5128 105.535 -77.5706 230.948 -178.985 122.098 -31.9774 PRESSAVG: 2341800 26.2729 -18.4305 -44.0192 -18.4304 -4.46468 -17.2751 -44.0194 -17.2752 30.0512 GPRESSAVG: 2341800 26.5267 -17.4632 -43.3211 -17.4776 -4.25333 -17.3556 -42.3802 -15.6485 29.9685 TIMING: 2341800 CPU: 6974.7, 0.00302209/step Wall: 6974.7, 0.00302209/step, 2.23148 hours remaining, 205.402344 MB of memory in use. ENERGY: 2341800 697.7723 2110.4263 1956.2944 119.2045 -205813.1657 17355.6949 0.0000 0.0000 34164.6617 -149409.1117 298.3685 -183573.7734 -149311.5770 299.0026 -118.3710 -79.2772 554942.1289 17.2865 17.4140 PRESSURE: 2342000 -323.107 -48.0535 -18.6251 -48.0549 -14.7698 -43.1366 -18.6251 -43.1373 359.075 GPRESSURE: 2342000 -309.681 -103.743 4.23302 -36.6544 0.14997 20.5958 -43.6672 -36.202 422.47 PRESSAVG: 2342000 -18.2547 -13.5837 -26.2859 -13.5836 8.02195 14.0783 -26.2859 14.0782 12.51 GPRESSAVG: 2342000 -19.1867 -15.0564 -26.6431 -13.1346 8.09174 13.4496 -25.6379 14.0909 13.5061 TIMING: 2342000 CPU: 6975.31, 0.00303872/step Wall: 6975.31, 0.00303872/step, 2.24359 hours remaining, 205.402344 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: 2342000 770.6166 2112.5172 1942.9061 114.6850 -206601.5213 17971.3164 0.0000 0.0000 34249.4044 -149440.0757 299.1086 -183689.4801 -149350.7985 299.7563 7.0662 37.6462 555731.6011 0.7591 0.8037 PRESSURE: 2342200 53.32 -65.271 26.6889 -65.2702 -17.617 85.2803 26.6878 85.2812 -40.3574 GPRESSURE: 2342200 75.6593 -173.138 -11.5864 29.4578 -5.57082 59.5733 120.735 133.449 18.9659 PRESSAVG: 2342200 -9.72221 -67.9905 -3.60653 -67.9905 16.7778 -27.3878 -3.6066 -27.3878 21.0851 GPRESSAVG: 2342200 -7.8294 -69.8173 -4.37987 -66.3362 16.5464 -24.8555 -4.0711 -27.8829 19.746 TIMING: 2342200 CPU: 6975.92, 0.00303604/step Wall: 6975.92, 0.00303604/step, 2.24144 hours remaining, 205.402344 MB of memory in use. ENERGY: 2342200 755.0637 2081.9505 1958.1906 99.6892 -206523.0509 18080.5984 0.0000 0.0000 34204.5985 -149342.9601 298.7173 -183547.5586 -149241.4518 299.5666 -1.5515 29.6848 557651.8516 9.3802 9.4877 PRESSURE: 2342400 -12.294 -82.6985 91.6229 -82.6989 -158.032 25.2426 91.6224 25.2424 -54.719 GPRESSURE: 2342400 -7.84823 -99.5162 118.252 -21.2102 -132.685 -61.2485 91.9622 59.3804 7.85934 PRESSAVG: 2342400 -7.92068 -22.299 -14.3657 -22.2991 1.37534 20.6325 -14.3657 20.6325 3.34259 GPRESSAVG: 2342400 -8.05768 -20.3036 -15.7808 -24.2447 1.42925 19.1071 -12.1526 19.2828 3.70771 TIMING: 2342400 CPU: 6976.52, 0.00300508/step Wall: 6976.52, 0.00300508/step, 2.21842 hours remaining, 205.402344 MB of memory in use. ENERGY: 2342400 787.8479 2101.5403 1946.1562 124.3728 -206631.7648 18039.3976 0.0000 0.0000 34118.7054 -149513.7445 297.9671 -183632.4500 -149414.6642 298.7971 -75.0150 -44.2246 558921.4670 -1.0676 -0.9736 PRESSURE: 2342600 245.304 -143.462 47.386 -143.463 -143.047 -2.7858 47.3869 -2.7856 143.812 GPRESSURE: 2342600 343.084 -142.073 -4.71017 -110.822 -121.393 -50.5371 46.6365 115.37 124.024 PRESSAVG: 2342600 -13.8482 25.1533 28.5526 25.1531 -20.8124 38.2203 28.5527 38.2203 -20.2691 GPRESSAVG: 2342600 -13.9404 25.6783 29.2328 24.5453 -20.8638 37.9277 27.0976 42.385 -19.8954 TIMING: 2342600 CPU: 6977.11, 0.00297706/step Wall: 6977.11, 0.00297706/step, 2.19757 hours remaining, 205.402344 MB of memory in use. ENERGY: 2342600 730.2536 2115.2290 1953.8074 114.2085 -206768.5463 18002.5546 0.0000 0.0000 34331.9871 -149520.5061 299.8298 -183852.4932 -149413.8420 298.2807 82.0230 115.2385 557036.2635 -18.3099 -18.2332 PRESSURE: 2342800 -44.3098 86.4783 -70.8433 86.4777 30.4653 183.411 -70.8442 183.41 -140.096 GPRESSURE: 2342800 5.3561 12.07 -15.7639 142.612 41.2742 142.207 -75.7864 203.084 -107.397 PRESSAVG: 2342800 51.5422 12.8007 1.13711 12.8007 -20.9885 38.7887 1.13711 38.7886 -23.2151 GPRESSAVG: 2342800 50.85 12.2945 1.86399 12.8834 -20.1425 40.4134 0.491107 35.9229 -23.4475 TIMING: 2342800 CPU: 6977.71, 0.00298511/step Wall: 6977.71, 0.00298511/step, 2.20334 hours remaining, 205.402344 MB of memory in use. ENERGY: 2342800 713.4090 2125.7395 1942.6984 113.1821 -206215.6909 17666.5831 0.0000 0.0000 34198.2522 -149455.8268 298.6618 -183654.0790 -149369.9360 299.5028 -51.3137 -20.2557 557357.5095 2.4462 2.4200 PRESSURE: 2343000 -57.76 -52.7306 -46.0564 -52.7309 -98.771 -141.426 -46.0563 -141.425 -130.813 GPRESSURE: 2343000 -24.9388 -115.427 -96.8558 -126.221 -72.0466 -142.902 -75.8958 -43.2968 -97.2181 PRESSAVG: 2343000 -24.4714 16.8076 36.3292 16.8076 -0.525239 45.9481 36.3292 45.9483 -4.12246 GPRESSAVG: 2343000 -23.7157 17.2923 34.5538 16.272 -2.09088 45.7546 37.1194 44.4899 -2.52307 TIMING: 2343000 CPU: 6978.31, 0.00302908/step Wall: 6978.31, 0.00302908/step, 2.23563 hours remaining, 205.402344 MB of memory in use. ENERGY: 2343000 766.6325 2069.3865 1964.4750 120.3309 -206478.2925 17852.8238 0.0000 0.0000 34356.7388 -149347.9050 300.0459 -183704.6438 -149255.8309 298.7202 -95.7814 -64.7345 558206.0223 -9.7064 -9.4432 PRESSURE: 2343200 -129.631 -121.415 154.654 -121.414 126.965 -28.0416 154.654 -28.0423 -271.256 GPRESSURE: 2343200 -67.0844 -78.9865 131.057 -122.689 168.027 48.5953 139.775 -38.2399 -278.765 PRESSAVG: 2343200 54.4717 -42.3856 -14.3288 -42.3856 31.319 -45.1186 -14.3288 -45.1186 -89.6443 GPRESSAVG: 2343200 54.8046 -42.1125 -11.564 -44.0007 32.7282 -45.9157 -15.3402 -42.4528 -91.3948 TIMING: 2343200 CPU: 6978.92, 0.00301394/step Wall: 6978.92, 0.00301394/step, 2.22428 hours remaining, 205.402344 MB of memory in use. ENERGY: 2343200 762.0710 2110.7116 1961.6457 105.8883 -206286.9695 17672.6041 0.0000 0.0000 34227.6307 -149446.4182 298.9184 -183674.0489 -149340.9833 298.9456 -91.3073 -59.2740 558468.9723 -1.2845 -1.2874 PRESSURE: 2343400 218.879 -82.9614 112.798 -82.9611 259.035 111.616 112.798 111.615 119.36 GPRESSURE: 2343400 249.825 -103.551 156.584 -15.8717 277.935 71.5589 34.4631 83.9877 156.636 PRESSAVG: 2343400 7.56424 -32.9738 4.39396 -32.9738 -27.3574 73.5545 4.39391 73.5545 -27.539 GPRESSAVG: 2343400 6.08996 -32.9067 2.94281 -31.2265 -27.4092 73.4026 1.51391 72.8156 -27.0268 TIMING: 2343400 CPU: 6979.52, 0.00302824/step Wall: 6979.52, 0.00302824/step, 2.23467 hours remaining, 205.402344 MB of memory in use. ENERGY: 2343400 723.9039 2132.4870 1943.8049 114.4442 -206715.1155 18098.0014 0.0000 0.0000 34173.1344 -149529.3397 298.4425 -183702.4741 -149431.1955 298.2346 199.0912 228.1320 555542.8540 -15.7774 -16.1153 PRESSURE: 2343600 -305.896 -37.9354 80.5039 -37.9354 -73.0206 -110.113 80.5038 -110.113 -118.076 GPRESSURE: 2343600 -233.975 -70.5746 60.8564 76.3271 -30.9268 -144.156 56.4297 -67.2036 -123.749 PRESSAVG: 2343600 73.6347 -22.7341 71.4201 -22.7341 -27.0634 15.537 71.4202 15.537 11.1886 GPRESSAVG: 2343600 75.1975 -22.7611 71.6801 -22.8244 -27.6979 15.0298 74.8985 14.6588 10.6758 TIMING: 2343600 CPU: 6980.12, 0.00299846/step Wall: 6980.12, 0.00299846/step, 2.21253 hours remaining, 205.402344 MB of memory in use. ENERGY: 2343600 786.4884 2097.0302 1957.3949 109.5076 -206481.5457 17686.9892 0.0000 0.0000 34223.1129 -149621.0224 298.8790 -183844.1353 -149520.6327 298.3563 -165.6643 -129.5502 557112.6729 19.2533 19.3918 PRESSURE: 2343800 -29.0969 243.02 31.4135 243.02 -55.1228 92.5734 31.4138 92.5721 -210.756 GPRESSURE: 2343800 -16.9098 229.787 64.9329 153.976 12.7228 98.179 57.5118 95.7011 -201.995 PRESSAVG: 2343800 -52.114 -10.7846 39.7515 -10.7846 -9.65432 -9.74978 39.7515 -9.74981 27.4693 GPRESSAVG: 2343800 -51.242 -10.6216 41.4789 -12.4017 -10.3094 -10.9765 37.652 -8.48827 27.5646 TIMING: 2343800 CPU: 6980.72, 0.00298584/step Wall: 6980.72, 0.00298584/step, 2.20305 hours remaining, 205.402344 MB of memory in use. ENERGY: 2343800 767.9087 2136.3772 1948.9992 113.6593 -206597.4563 17840.5438 0.0000 0.0000 34233.0394 -149556.9286 298.9656 -183789.9681 -149466.4774 298.2115 -98.3253 -68.7274 556288.3673 -11.4330 -11.3289 PRESSURE: 2344000 118.127 153.451 -185.245 153.451 0.925896 101.784 -185.244 101.785 89.1256 GPRESSURE: 2344000 108.882 199.592 -180.278 136.64 78.936 163.084 -140.867 89.0799 110.027 PRESSAVG: 2344000 -8.48249 66.3305 14.8655 66.3303 14.145 1.38883 14.8655 1.38881 29.4845 GPRESSAVG: 2344000 -10.7308 66.3223 13.6657 66.3111 15.1181 0.795471 16.1241 3.32012 30.2539 TIMING: 2344000 CPU: 6981.32, 0.00300507/step Wall: 6981.32, 0.00300507/step, 2.21707 hours remaining, 205.402344 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: 2344000 737.4354 2109.6004 1951.5277 107.3802 -206577.5970 17876.1332 0.0000 0.0000 34331.5489 -149463.9711 299.8260 -183795.5200 -149369.4582 298.5240 69.3930 99.2816 556379.4443 11.7157 11.5471 PRESSURE: 2344200 181.707 -133.518 -22.5191 -133.517 -17.1865 -67.2393 -22.519 -67.2376 -206.032 GPRESSURE: 2344200 189.236 -170.534 -55.5467 -156.12 41.9283 -37.4197 -43.156 -130.576 -170.263 PRESSAVG: 2344200 -1.68537 82.1618 30.3501 82.1619 31.3353 11.6146 30.3501 11.6146 36.1982 GPRESSAVG: 2344200 -2.01479 80.3092 31.4146 83.8123 31.7672 12.0111 29.648 9.42352 36.2192 TIMING: 2344200 CPU: 6981.92, 0.0029974/step Wall: 6981.92, 0.0029974/step, 2.21125 hours remaining, 205.402344 MB of memory in use. ENERGY: 2344200 762.2099 2120.4854 1965.8851 113.0711 -206190.2912 17763.9039 0.0000 0.0000 34292.2878 -149172.4479 299.4831 -183464.7357 -149084.0668 299.3901 -13.8373 20.3007 555776.1052 21.9494 21.9905 LDB: ============= START OF LOAD BALANCING ============== 6985.35 LDB: ============== END OF LOAD BALANCING =============== 6985.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6985.35 LDB: ============= START OF LOAD BALANCING ============== 6985.65 LDB: Largest compute 4821 load 0.026242 is 22.2% of average load 0.118111 LDB: Average compute 0.001720 is 1.5% of average load 0.118111 LDB: TIME 6985.65 LOAD: AVG 0.118111 MAX 0.203982 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.684 MB LDB: TIME 6985.65 LOAD: AVG 0.118111 MAX 0.203982 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.887 MB LDB: TIME 6985.65 LOAD: AVG 0.118111 MAX 0.203982 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.887 MB LDB: ============== END OF LOAD BALANCING =============== 6985.66 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6985.66 PRESSURE: 2344400 -179.914 16.113 149.435 16.1129 85.7771 185.531 149.434 185.53 -327.983 GPRESSURE: 2344400 -143.704 32.5595 80.4466 78.3829 93.6516 213.715 212 98.2451 -269.62 PRESSAVG: 2344400 80.0384 56.291 54.3224 56.2909 -33.4374 34.9358 54.3224 34.9358 -9.69594 GPRESSAVG: 2344400 81.3201 56.7061 55.0689 58.5235 -34.3168 34.5586 53.5901 35.6369 -9.74433 TIMING: 2344400 CPU: 6982.53, 0.00305555/step Wall: 6982.53, 0.00305555/step, 2.25398 hours remaining, 204.890625 MB of memory in use. ENERGY: 2344400 721.4491 2061.0784 1975.0328 120.3614 -206159.2277 17652.5745 0.0000 0.0000 34338.4157 -149290.3159 299.8859 -183628.7316 -149198.3210 299.7079 -140.7066 -106.5576 556809.4803 12.3017 12.4197 PRESSURE: 2344600 21.3178 -27.1657 -134.44 -27.1649 -189.102 -238.721 -134.441 -238.72 -2.64571 GPRESSURE: 2344600 27.7137 -94.6969 -89.0143 -31.0792 -144.907 -185.795 -139.917 -247.776 48.8892 PRESSAVG: 2344600 17.5863 22.6857 10.8043 22.6858 -2.0789 -5.54277 10.8043 -5.54287 9.16885 GPRESSAVG: 2344600 16.6695 22.0143 9.18161 22.7547 -1.16432 -3.90809 10.4727 -7.58619 9.23697 TIMING: 2344600 CPU: 6983.13, 0.00298152/step Wall: 6983.13, 0.00298152/step, 2.1992 hours remaining, 204.890625 MB of memory in use. ENERGY: 2344600 761.1259 2084.0201 1949.1863 113.3269 -206166.5635 17678.2493 0.0000 0.0000 34166.1078 -149414.5473 298.3811 -183580.6551 -149312.2673 299.5196 -56.8098 -22.7682 556147.6588 8.2254 8.2474 PRESSURE: 2344800 -66.8979 -59.957 28.0164 -59.9577 182.678 102.567 28.0159 102.566 124.817 GPRESSURE: 2344800 -27.5281 -83.7991 -25.4885 124 195.373 98.8741 -22.6003 96.4687 162.378 PRESSAVG: 2344800 21.4049 20.4429 -69.164 20.4428 49.2903 -66.3434 -69.164 -66.3433 -23.3628 GPRESSAVG: 2344800 21.4974 24.8075 -70.2163 16.485 49.4666 -66.3274 -67.8396 -64.7325 -23.39 TIMING: 2344800 CPU: 6983.72, 0.00296703/step Wall: 6983.72, 0.00296703/step, 2.18835 hours remaining, 204.890625 MB of memory in use. ENERGY: 2344800 763.5684 2063.9937 1969.5622 115.4723 -206540.2965 17816.3595 0.0000 0.0000 34292.2761 -149519.0644 299.4830 -183811.3405 -149423.2214 298.8530 80.1991 110.0743 555785.9401 15.7775 15.8580 PRESSURE: 2345000 -52.8742 177.504 -33.2742 177.504 -89.5932 -167.116 -33.2746 -167.116 -224.148 GPRESSURE: 2345000 -32.7556 106.957 -27.9915 207.584 -27.3653 -107.877 -45.2352 -113.476 -213.467 PRESSAVG: 2345000 43.0067 27.6243 -13.8996 27.6242 -32.7724 13.0755 -13.8997 13.0754 -34.2709 GPRESSAVG: 2345000 43.6785 24.6332 -12.7371 28.8816 -33.1401 13.2842 -14.1407 12.7056 -34.4107 TIMING: 2345000 CPU: 6984.32, 0.00298268/step Wall: 6984.32, 0.00298268/step, 2.19972 hours remaining, 204.890625 MB of memory in use. ENERGY: 2345000 732.4039 2081.3860 1952.8785 115.4387 -206419.9230 17860.6362 0.0000 0.0000 34198.9657 -149478.2140 298.6681 -183677.1797 -149379.5976 298.7674 -122.2052 -91.1960 557584.8015 -8.0122 -7.9574 PRESSURE: 2345200 55.0253 -215.726 -11.7655 -215.728 6.16451 16.5796 -11.7661 16.5783 -49.4081 GPRESSURE: 2345200 115.472 -157.974 -55.5665 -206.422 54.9669 11.3505 29.2715 64.2227 -63.9829 PRESSAVG: 2345200 31.1318 -6.71216 9.33501 -6.71218 95.7404 -20.0825 9.33497 -20.0824 -73.9489 GPRESSAVG: 2345200 31.7125 -7.55438 10.0065 -4.32554 95.3282 -20.9469 8.50616 -19.6799 -74.6726 TIMING: 2345200 CPU: 6984.92, 0.00299543/step Wall: 6984.92, 0.00299543/step, 2.20896 hours remaining, 204.890625 MB of memory in use. ENERGY: 2345200 772.9514 2093.7114 1977.9681 115.7875 -206278.2914 17956.4285 0.0000 0.0000 34025.4588 -149335.9857 297.1528 -183361.4445 -149231.8113 297.9034 3.9272 35.4853 558239.3100 17.6411 17.4560 PRESSURE: 2345400 66.5388 -79.2691 65.6612 -79.2693 183.528 -46.0235 65.6608 -46.0255 -169.827 GPRESSURE: 2345400 69.5976 -112.91 144.536 -55.328 173.411 -67.406 68.9738 -67.656 -71.2292 PRESSAVG: 2345400 84.3084 -23.1689 29.7635 -23.1688 -21.9024 -11.5708 29.7636 -11.5708 -43.2095 GPRESSAVG: 2345400 82.8084 -21.9848 28.9257 -25.2839 -21.4043 -11.1945 31.5176 -12.8295 -42.249 TIMING: 2345400 CPU: 6985.52, 0.00299348/step Wall: 6985.52, 0.00299348/step, 2.20736 hours remaining, 204.890625 MB of memory in use. ENERGY: 2345400 743.6225 2063.1753 1988.7506 112.2461 -206401.3243 18010.9133 0.0000 0.0000 34164.7191 -149317.8975 298.3690 -183482.6165 -149213.3327 298.9709 26.7467 57.2598 559764.3537 6.3988 6.3850 PRESSURE: 2345600 -119.264 -146.762 -127.931 -146.762 -84.9493 -12.4803 -127.929 -12.4807 92.488 GPRESSURE: 2345600 -88.6497 -140.45 -82.9585 -151.962 -91.501 -24.2773 -74.5118 -44.0357 176.025 PRESSAVG: 2345600 10.5663 -13.7777 -12.9687 -13.7777 9.9102 -7.33362 -12.9688 -7.33371 -51.8955 GPRESSAVG: 2345600 11.6887 -13.4396 -15.1503 -13.3002 9.68209 -7.66411 -10.2429 -6.48295 -52.6554 TIMING: 2345600 CPU: 6986.11, 0.00298251/step Wall: 6986.11, 0.00298251/step, 2.1991 hours remaining, 204.890625 MB of memory in use. ENERGY: 2345600 737.8734 2094.1614 1963.2173 110.2375 -206229.0474 17923.7057 0.0000 0.0000 34267.1337 -149132.7184 299.2634 -183399.8521 -149037.3678 299.4300 -37.2417 -1.3753 558342.3754 -10.4730 -10.4282 PRESSURE: 2345800 80.06 70.0285 -34.0658 70.0303 278.487 89.2937 -34.0659 89.295 10.3115 GPRESSURE: 2345800 146.768 81.8108 -116.942 29.3104 211.631 51.0204 30.6205 172.269 96.8382 PRESSAVG: 2345800 -13.5946 21.3297 -68.1891 21.3298 -8.85322 83.81 -68.189 83.81 14.2662 GPRESSAVG: 2345800 -13.6735 19.131 -69.0375 23.3396 -8.91158 83.5687 -68.1217 83.298 14.6867 TIMING: 2345800 CPU: 6986.7, 0.0029589/step Wall: 6986.7, 0.0029589/step, 2.18153 hours remaining, 204.890625 MB of memory in use. ENERGY: 2345800 737.7394 2108.1138 1960.4934 102.9072 -206179.7184 17870.5078 0.0000 0.0000 34263.3318 -149136.6250 299.2302 -183399.9568 -149043.7725 299.2119 122.9529 151.7457 556623.9638 -2.7272 -2.6328 PRESSURE: 2346000 65.9123 -103.161 26.8356 -103.16 -183.371 27.2805 26.8352 27.2801 -189.737 GPRESSURE: 2346000 142.832 -142.566 47.6835 -132.073 -165.553 23.4752 37.1104 82.0361 -181.575 PRESSAVG: 2346000 12.1345 0.11323 -22.658 0.113243 -8.81949 47.8237 -22.658 47.8237 -16.1877 GPRESSAVG: 2346000 12.346 3.17492 -19.4861 -0.745791 -8.48913 49.9623 -25.1036 47.0815 -16.5005 TIMING: 2346000 CPU: 6987.3, 0.00296162/step Wall: 6987.3, 0.00296162/step, 2.18337 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: 2346000 759.1973 2106.3564 1963.5759 117.9328 -206197.9667 17712.2612 0.0000 0.0000 34258.4950 -149280.1481 299.1880 -183538.6431 -149179.1331 299.1838 -102.3987 -68.0988 557731.4506 -4.2909 -4.2146 PRESSURE: 2346200 -58.4895 28.3934 -217.847 28.3942 -5.99007 9.43536 -217.847 9.43525 -216.756 GPRESSURE: 2346200 -2.95971 9.65023 -175.916 58.7377 15.3817 -3.10545 -210.337 -48.4913 -187.525 PRESSAVG: 2346200 55.2531 0.00195816 -71.6952 0.00196061 -0.851064 -30.4107 -71.6952 -30.4106 -49.5556 GPRESSAVG: 2346200 55.5525 0.614209 -74.3861 -0.629415 -2.03108 -30.8039 -70.018 -29.2879 -48.9293 TIMING: 2346200 CPU: 6987.89, 0.00295754/step Wall: 6987.89, 0.00295754/step, 2.1802 hours remaining, 204.890625 MB of memory in use. ENERGY: 2346200 729.1676 2037.4496 1965.4552 114.3174 -206078.0472 17623.9604 0.0000 0.0000 34193.5933 -149414.1036 298.6212 -183607.6969 -149314.3063 298.8098 -93.7451 -58.3675 557892.1226 1.6155 1.5307 PRESSURE: 2346400 -330.793 -155.954 32.4603 -155.953 4.98994 72.8596 32.4606 72.8613 10.3168 GPRESSURE: 2346400 -260.795 -181 78.5188 -150.886 74.6531 116.776 26.7515 81.9774 -31.9182 PRESSAVG: 2346400 11.3693 -47.9348 -31.3789 -47.9346 9.54613 14.3922 -31.3788 14.3923 22.4391 GPRESSAVG: 2346400 11.7836 -49.703 -28.9873 -48.064 9.6362 12.17 -33.0057 14.4026 21.948 TIMING: 2346400 CPU: 6988.49, 0.00301666/step Wall: 6988.49, 0.00301666/step, 2.22361 hours remaining, 204.890625 MB of memory in use. ENERGY: 2346400 739.5878 2072.7925 1925.6384 134.6543 -205901.2316 17508.7815 0.0000 0.0000 34311.4945 -149208.2826 299.6508 -183519.7771 -149117.4464 299.0183 -105.1620 -72.6866 556729.1202 14.4515 14.4559 PRESSURE: 2346600 -208.127 -273.967 24.4721 -273.967 34.4431 26.4402 24.4721 26.4394 -22.1608 GPRESSURE: 2346600 -164.701 -260.472 0.83906 -204.806 71.6691 -19.6583 36.9364 94.2797 -10.9095 PRESSAVG: 2346600 8.45536 1.24438 24.7288 1.24436 -44.5392 -19.6541 24.7288 -19.654 13.8604 GPRESSAVG: 2346600 7.36749 2.12269 24.214 1.14874 -43.4071 -18.8104 21.368 -22.4549 14.0227 TIMING: 2346600 CPU: 6989.09, 0.00299516/step Wall: 6989.09, 0.00299516/step, 2.2076 hours remaining, 204.890625 MB of memory in use. ENERGY: 2346600 760.6151 2114.1822 1940.7060 112.6482 -206270.5383 17835.8036 0.0000 0.0000 34354.7185 -149151.8647 300.0283 -183506.5831 -149055.0249 299.6079 -65.2815 -34.6471 559338.2972 -7.4078 -7.3390 PRESSURE: 2346800 -137.339 191.302 -54.2025 191.301 -104.605 -68.4921 -54.2027 -68.4919 -139.475 GPRESSURE: 2346800 -96.0361 146.785 -98.806 142.755 -87.7908 -1.25261 48.7681 -99.5055 -105.506 PRESSAVG: 2346800 -30.5189 9.43033 24.9525 9.43033 21.3279 2.38657 24.9526 2.38652 44.1212 GPRESSAVG: 2346800 -28.9331 10.2233 26.0854 9.08534 21.2403 2.28887 27.7121 3.75535 42.692 TIMING: 2346800 CPU: 6989.69, 0.00299833/step Wall: 6989.69, 0.00299833/step, 2.20977 hours remaining, 204.890625 MB of memory in use. ENERGY: 2346800 749.7474 2124.9843 1948.4178 119.4765 -206092.6704 17644.0361 0.0000 0.0000 34304.0094 -149201.9989 299.5854 -183506.0083 -149110.1744 300.4594 -127.1396 -96.4445 558403.6816 11.6434 11.6664 PRESSURE: 2347000 -184.302 -7.7543 93.6749 -7.75483 58.3773 3.39873 93.6767 3.39772 -12.0502 GPRESSURE: 2347000 -155.616 -22.4706 36.6727 41.5124 113.782 -23.6596 120.577 -60.4921 4.63226 PRESSAVG: 2347000 -44.1426 18.4062 -15.8875 18.4064 26.11 -6.29666 -15.8875 -6.29667 23.9401 GPRESSAVG: 2347000 -45.0604 18.0206 -17.0156 20.1705 26.1043 -5.80736 -15.1704 -6.18972 25.5724 TIMING: 2347000 CPU: 6990.29, 0.00299352/step Wall: 6990.29, 0.00299352/step, 2.20606 hours remaining, 204.890625 MB of memory in use. ENERGY: 2347000 781.6723 2086.5481 1954.6238 108.6555 -206115.9764 17760.4673 0.0000 0.0000 34212.0429 -149211.9665 298.7823 -183424.0094 -149125.2752 299.8331 -45.9916 -12.4007 556633.7080 1.9691 2.2054 PRESSURE: 2347200 -163.516 52.1184 -294.683 52.1176 -51.0078 56.9616 -294.683 56.962 -393.303 GPRESSURE: 2347200 -141.588 -15.3242 -297.645 50.8839 0.751419 44.6009 -238.855 121.654 -373.272 PRESSAVG: 2347200 45.2281 18.2062 -29.8731 18.2063 -45.8623 2.55244 -29.8731 2.55243 -2.65703 GPRESSAVG: 2347200 45.8351 18.0938 -30.3948 17.5656 -45.6773 0.258513 -28.6278 2.88551 -3.18331 TIMING: 2347200 CPU: 6990.88, 0.00297517/step Wall: 6990.88, 0.00297518/step, 2.19237 hours remaining, 204.890625 MB of memory in use. ENERGY: 2347200 720.5138 2106.6294 1953.2591 124.8569 -205889.7807 17442.2389 0.0000 0.0000 34418.5473 -149123.7353 300.5857 -183542.2826 -149026.5229 299.5175 -202.6088 -171.3693 557556.9790 -1.0971 -1.0085 PRESSURE: 2347400 -261.475 -25.5602 26.7593 -25.5598 -32.68 124.662 26.7585 124.662 -108.657 GPRESSURE: 2347400 -220.745 -32.5234 22.0867 -67.2554 -28.51 70.4037 76.0215 143.586 -48.899 PRESSAVG: 2347400 -8.94261 -24.6129 -21.2443 -24.6129 -6.40853 -43.7631 -21.2445 -43.7631 34.9401 GPRESSAVG: 2347400 -8.60345 -26.2749 -20.2108 -24.0864 -6.54145 -44.0282 -21.8512 -41.9696 34.8063 TIMING: 2347400 CPU: 6991.48, 0.00300918/step Wall: 6991.48, 0.00300918/step, 2.21726 hours remaining, 204.890625 MB of memory in use. ENERGY: 2347400 722.0246 2044.1665 1935.9199 127.6555 -205980.8564 17528.8979 0.0000 0.0000 34437.9763 -149184.2157 300.7554 -183622.1920 -149092.3540 299.6173 -134.2705 -99.3847 557571.9042 6.5296 6.5538 PRESSURE: 2347600 -69.6716 -38.5349 -172.522 -38.5354 -68.208 -104.073 -172.522 -104.074 -88.3734 GPRESSURE: 2347600 -50.4167 -74.0587 -199.053 -38.7942 -34.1876 -30.6437 -146.892 -155.635 -47.3394 PRESSAVG: 2347600 47.4333 -10.9993 -1.72653 -10.9994 -84.3932 -8.00679 -1.7266 -8.00694 13.8719 GPRESSAVG: 2347600 45.8799 -9.31898 -3.09735 -12.1541 -84.0095 -7.18584 -1.42843 -8.20851 14.3673 TIMING: 2347600 CPU: 6992.09, 0.00300542/step Wall: 6992.09, 0.00300542/step, 2.21433 hours remaining, 204.890625 MB of memory in use. ENERGY: 2347600 713.4996 2058.8297 1946.9064 100.8025 -206234.5833 17817.1782 0.0000 0.0000 34429.1046 -149168.2624 300.6779 -183597.3670 -149076.6649 299.5361 -75.4177 -43.9812 557833.3299 -7.6960 -7.9208 PRESSURE: 2347800 272.713 6.97815 51.3794 6.9769 -73.742 -63.5606 51.3796 -63.559 -139.96 GPRESSURE: 2347800 249.445 94.2486 -2.24158 -34.9816 6.1243 -37.5891 117.141 -98.5829 -100.721 PRESSAVG: 2347800 74.5365 -0.581363 -50.75 -0.581221 -7.12289 -96.2052 -50.75 -96.2054 -12.2792 GPRESSAVG: 2347800 75.5 0.610154 -50.9515 -1.31651 -7.82878 -95.2442 -50.9102 -97.7685 -12.6993 TIMING: 2347800 CPU: 6992.69, 0.00299734/step Wall: 6992.69, 0.00299734/step, 2.20821 hours remaining, 204.890625 MB of memory in use. ENERGY: 2347800 734.9426 2033.6851 1919.2454 108.8040 -206029.8449 17873.4869 0.0000 0.0000 34314.8020 -149044.8789 299.6797 -183359.6809 -148955.2320 300.4801 19.6701 51.6159 557265.6728 18.3781 18.3240 PRESSURE: 2348000 -127.514 -119.62 54.1275 -119.62 -120.919 -7.27456 54.1275 -7.27463 -160.137 GPRESSURE: 2348000 -78.0003 -88.6509 -39.0311 -189.52 -83.5201 -35.3639 28.9748 -9.45334 -148.243 PRESSAVG: 2348000 -4.04295 -5.13905 -8.53077 -5.13906 50.2487 -8.35941 -8.53067 -8.35936 -14.595 GPRESSAVG: 2348000 -2.13447 -6.23671 -8.39366 -3.52149 49.7979 -8.497 -8.06423 -9.1089 -16.0191 TIMING: 2348000 CPU: 6993.28, 0.00299038/step Wall: 6993.28, 0.00299038/step, 2.20291 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: 2348000 757.5479 2105.2287 1932.1337 113.5810 -205767.4702 17621.6693 0.0000 0.0000 34262.5627 -148974.7469 299.2235 -183237.3096 -148879.5903 299.7173 -136.1901 -103.2546 557225.5351 10.5369 10.5481 PRESSURE: 2348200 -423.391 -14.864 18.5888 -14.8634 57.3891 -84.8028 18.5893 -84.8035 -131.194 GPRESSURE: 2348200 -333.736 3.5411 -0.865467 -84.4818 9.4202 -128.618 2.40887 -73.0104 -79.5857 PRESSAVG: 2348200 4.292 -30.4158 7.63513 -30.4158 0.664869 -1.33217 7.63511 -1.33229 -19.1623 GPRESSAVG: 2348200 4.22913 -30.8325 7.76997 -31.4671 1.00918 -0.901254 5.12163 -2.59317 -19.4099 TIMING: 2348200 CPU: 6993.88, 0.00297581/step Wall: 6993.88, 0.00297581/step, 2.19201 hours remaining, 204.890625 MB of memory in use. ENERGY: 2348200 753.4901 2082.9705 1939.0277 117.8644 -205597.8893 17498.5157 0.0000 0.0000 34253.4078 -148952.6131 299.1435 -183206.0209 -148860.1721 300.3215 -165.7321 -134.6337 558336.0570 -4.7351 -4.7239 LDB: ============= START OF LOAD BALANCING ============== 6997.31 LDB: ============== END OF LOAD BALANCING =============== 6997.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6997.31 LDB: ============= START OF LOAD BALANCING ============== 6997.61 LDB: Largest compute 4849 load 0.025314 is 21.4% of average load 0.118055 LDB: Average compute 0.001718 is 1.5% of average load 0.118055 LDB: TIME 6997.61 LOAD: AVG 0.118055 MAX 0.203127 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.43 MB LDB: TIME 6997.61 LOAD: AVG 0.118055 MAX 0.203127 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.434 MB LDB: TIME 6997.62 LOAD: AVG 0.118055 MAX 0.203127 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 6997.62 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 6997.62 PRESSURE: 2348400 -238.662 53.9531 -124.269 53.9541 -103.075 22.3005 -124.269 22.2997 -179.793 GPRESSURE: 2348400 -246.926 108.488 -102.072 10.2013 -35.6948 41.7398 -114.744 38.5053 -137.766 PRESSAVG: 2348400 -28.6636 -3.76824 -21.7531 -3.76818 63.4767 28.2719 -21.753 28.2718 -79.1177 GPRESSAVG: 2348400 -30.2153 -1.96227 -20.8648 -3.7172 64.8192 27.4006 -20.9734 31.6923 -79.1552 TIMING: 2348400 CPU: 6994.49, 0.00306387/step Wall: 6994.49, 0.00306387/step, 2.25671 hours remaining, 206.453125 MB of memory in use. ENERGY: 2348400 758.1647 2069.7940 1944.3594 109.2775 -205568.5955 17364.8291 0.0000 0.0000 34209.6438 -149112.5270 298.7613 -183322.1708 -149008.8708 299.9255 -173.8431 -140.1287 558332.8354 -14.7682 -14.8504 PRESSURE: 2348600 -71.0243 17.7314 76.6186 17.7305 94.6017 -136.456 76.6191 -136.456 35.9414 GPRESSURE: 2348600 -10.7689 46.1514 29.1928 -21.2512 118.866 -143.241 117.954 -52.0372 50.2411 PRESSAVG: 2348600 -39.0005 -15.0358 -36.496 -15.0358 19.4361 -11.1784 -36.496 -11.1784 23.8069 GPRESSAVG: 2348600 -38.4083 -18.536 -37.1598 -13.8517 18.5726 -10.3862 -36.7748 -11.9625 24.0837 TIMING: 2348600 CPU: 6995.09, 0.00298563/step Wall: 6995.09, 0.00298563/step, 2.19892 hours remaining, 206.656250 MB of memory in use. ENERGY: 2348600 752.0591 2115.8815 1940.2924 106.0858 -205992.4563 17781.1620 0.0000 0.0000 34198.1599 -149098.8156 298.6610 -183296.9755 -148998.4869 299.4667 19.8396 52.7794 556986.8762 1.4141 1.4160 PRESSURE: 2348800 -169.986 -16.4968 -17.6024 -16.4974 293.242 -53.1793 -17.6038 -53.1813 -80.1601 GPRESSURE: 2348800 -110.758 35.6877 -58.3391 -133.993 265.755 -132.337 -27.9513 -16.4553 -2.1767 PRESSAVG: 2348800 -11.7821 28.1921 31.8517 28.1921 -41.8599 14.5499 31.8518 14.5499 51.8031 GPRESSAVG: 2348800 -11.4468 28.9939 31.7654 28.9921 -41.7616 15.5108 33.776 13.468 52.1693 TIMING: 2348800 CPU: 6995.69, 0.00298833/step Wall: 6995.69, 0.00298833/step, 2.20074 hours remaining, 206.656250 MB of memory in use. ENERGY: 2348800 731.7505 2087.1703 1934.4269 113.5402 -205933.1554 17783.2360 0.0000 0.0000 34231.2742 -149051.7572 298.9502 -183283.0314 -148962.3308 300.2927 14.3654 50.9401 557549.7462 -0.6130 -0.3464 PRESSURE: 2349000 -70.5663 100.345 9.96189 100.344 213.328 -37.4715 9.96204 -37.4728 0.648253 GPRESSURE: 2349000 -18.7983 9.42149 -21.0281 79.2284 245.92 -10.651 12.3726 -74.6771 0.00998295 PRESSAVG: 2349000 -34.1841 85.4987 24.2303 85.4986 29.8697 -46.0134 24.2303 -46.0135 26.7513 GPRESSAVG: 2349000 -35.4844 84.6692 23.6757 85.0394 29.614 -45.871 24.0089 -44.0591 28.3187 TIMING: 2349000 CPU: 6996.28, 0.00298801/step Wall: 6996.28, 0.00298801/step, 2.20034 hours remaining, 206.656250 MB of memory in use. ENERGY: 2349000 733.2955 2070.7628 1970.0294 100.9271 -205873.5090 17760.8673 0.0000 0.0000 34105.9037 -149131.7232 297.8553 -183237.6269 -149036.3724 299.2728 47.8032 75.7106 556223.7348 7.4790 7.4828 PRESSURE: 2349200 79.6337 -59.7964 99.9831 -59.7949 181.436 -89.266 99.9829 -89.2672 207.535 GPRESSURE: 2349200 92.4827 -3.76283 67.8515 -48.1248 255.564 -208.121 151.89 -44.5919 223.037 PRESSAVG: 2349200 -39.1728 26.3906 -7.62484 26.3907 -28.8815 20.84 -7.62476 20.84 37.7679 GPRESSAVG: 2349200 -38.5869 27.28 -8.78334 26.8706 -28.6682 20.2693 -7.33713 18.458 36.7956 TIMING: 2349200 CPU: 6996.89, 0.00301389/step Wall: 6996.89, 0.00301389/step, 2.21923 hours remaining, 206.656250 MB of memory in use. ENERGY: 2349200 740.3518 2054.0283 1973.5888 118.6675 -205946.6427 17802.9910 0.0000 0.0000 34042.1771 -149214.8383 297.2988 -183257.0154 -149123.3858 298.8956 156.2016 190.3614 557660.0083 -10.0955 -10.1532 PRESSURE: 2349400 79.0477 129.079 83.1302 129.077 -25.0385 -4.48935 83.1311 -4.48978 -171.192 GPRESSURE: 2349400 113.741 122.47 55.1126 205.961 6.41461 17.2187 130.925 -56.1307 -144.481 PRESSAVG: 2349400 61.9966 40.5394 -10.9887 40.5394 -46.5067 -22.1506 -10.9888 -22.1505 24.3054 GPRESSAVG: 2349400 62.0505 41.3525 -9.35721 40.0505 -45.577 -22.2848 -12.3306 -22.1158 23.5537 TIMING: 2349400 CPU: 6997.49, 0.00302049/step Wall: 6997.49, 0.00302049/step, 2.22392 hours remaining, 206.656250 MB of memory in use. ENERGY: 2349400 739.2426 2063.0884 1931.7999 101.4846 -206134.1384 17824.3289 0.0000 0.0000 34165.8419 -149308.3522 298.3788 -183474.1941 -149216.0640 298.6950 -39.0611 -8.1082 558230.7169 13.2651 13.3424 PRESSURE: 2349600 -293.266 -49.3267 44.3418 -49.3262 -185.894 135.596 44.3412 135.597 -89.7807 GPRESSURE: 2349600 -243.866 -85.2297 106.704 0.683669 -172.984 171.769 -23.4363 149.519 -55.8189 PRESSAVG: 2349600 -19.6534 9.81782 28.2913 9.81767 -56.1483 24.3922 28.2913 24.3924 80.8613 GPRESSAVG: 2349600 -18.7047 13.5804 30.6617 7.93274 -56.5104 24.3264 25.7374 23.6563 80.6474 TIMING: 2349600 CPU: 6998.1, 0.00304614/step Wall: 6998.1, 0.00304614/step, 2.24263 hours remaining, 206.656250 MB of memory in use. ENERGY: 2349600 749.8815 2067.7543 1963.8095 111.9128 -205787.4139 17720.9401 0.0000 0.0000 34203.7643 -148969.3513 298.7100 -183173.1156 -148867.7332 299.2631 -189.6470 -157.5561 559819.1022 1.6865 1.8108 PRESSURE: 2349800 256.773 -75.1365 114.282 -75.1373 -163.938 -28.7685 114.282 -28.7683 -77.1394 GPRESSURE: 2349800 280.144 -62.7526 135.86 -108.659 -171.471 -149.56 148.237 28.8863 -7.89009 PRESSAVG: 2349800 10.0719 -51.0417 24.1223 -51.0417 -25.284 -39.7046 24.1223 -39.7048 -4.78179 GPRESSAVG: 2349800 10.6428 -56.0351 23.7247 -49.2722 -25.2759 -38.858 26.1745 -37.9704 -5.06841 TIMING: 2349800 CPU: 6998.71, 0.00304189/step Wall: 6998.71, 0.00304189/step, 2.23934 hours remaining, 206.656250 MB of memory in use. ENERGY: 2349800 741.4365 2080.7858 1981.7739 103.5536 -206115.6856 17781.2382 0.0000 0.0000 34451.8726 -148975.0250 300.8768 -183426.8976 -148878.4180 300.0425 5.2318 33.5945 558089.2976 -6.6646 -6.5672 PRESSURE: 2350000 39.1387 -60.0425 129.467 -60.0418 -15.2839 9.98269 129.467 9.98349 206.73 GPRESSURE: 2350000 91.83 -30.5043 66.7296 -46.1753 -12.6279 16.5024 231.141 44.5179 239.82 PRESSAVG: 2350000 2.19954 -11.6976 25.994 -11.6976 -35.6645 85.2482 25.994 85.2482 61.6398 GPRESSAVG: 2350000 1.57883 -10.8033 24.4369 -13.5077 -36.3853 82.4377 24.7012 85.7778 63.6632 TIMING: 2350000 CPU: 6999.31, 0.00298738/step Wall: 6999.31, 0.00298738/step, 2.19905 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: 2350000 743.9060 2084.6757 1982.7308 105.6559 -206157.7472 17813.0032 0.0000 0.0000 34401.7774 -149025.9981 300.4393 -183427.7755 -148924.0836 300.5056 76.8614 106.3405 557351.8302 9.3916 9.6189 PRESSURE: 2350200 -359.231 -112.01 -20.2661 -112.009 -133.03 32.2226 -20.2657 32.2246 -9.49472 GPRESSURE: 2350200 -335.124 -110.797 -69.1933 -41.2958 -120.538 84.3405 -57.2432 -3.21165 40.326 PRESSAVG: 2350200 43.29 -14.4556 0.332337 -14.4556 -31.674 0.207177 0.332408 0.207208 -19.5732 GPRESSAVG: 2350200 42.4603 -14.5026 1.93113 -12.7162 -30.6324 2.35444 0.891775 -1.06984 -19.64 TIMING: 2350200 CPU: 6999.91, 0.00300985/step Wall: 6999.91, 0.00300985/step, 2.21541 hours remaining, 206.656250 MB of memory in use. ENERGY: 2350200 747.5482 2093.2780 1992.9804 103.3763 -205763.5029 17545.3189 0.0000 0.0000 34133.5825 -149147.4186 298.0971 -183281.0011 -149047.4029 299.9411 -167.2521 -138.4453 557501.1547 -2.6524 -2.6040 PRESSURE: 2350400 -124.06 97.0484 96.2945 97.0472 -38.9446 122.423 96.294 122.423 125.016 GPRESSURE: 2350400 -126.136 139.594 69.3253 11.1364 78.1955 -1.75903 127.084 105.225 112.903 PRESSAVG: 2350400 -33.2149 23.3417 -42.4922 23.3417 28.6114 -1.88102 -42.4923 -1.881 -6.95622 GPRESSAVG: 2350400 -32.3351 22.3097 -43.954 23.7653 28.4699 -2.52036 -44.1798 -0.857161 -7.49174 TIMING: 2350400 CPU: 7000.5, 0.00295213/step Wall: 7000.5, 0.00295213/step, 2.17277 hours remaining, 206.656250 MB of memory in use. ENERGY: 2350400 758.1021 2042.9712 1942.6660 96.4500 -206312.1564 17841.7653 0.0000 0.0000 34401.2474 -149228.9544 300.4346 -183630.2018 -149137.6349 299.3168 -12.6629 21.6544 556218.8681 -3.8532 -3.7857 PRESSURE: 2350600 222.831 -153.909 -248.426 -153.908 -22.5907 -53.6572 -248.426 -53.6571 308.724 GPRESSURE: 2350600 308.769 -74.7898 -287.031 -162.246 -21.0327 -108.052 -188.58 21.6229 317.968 PRESSAVG: 2350600 -39.871 5.47128 -67.617 5.4714 53.2324 -30.6477 -67.617 -30.6477 -33.582 GPRESSAVG: 2350600 -40.0334 6.46831 -65.9941 4.86555 53.1882 -29.4862 -67.063 -30.6375 -33.0834 TIMING: 2350600 CPU: 7001.09, 0.00297725/step Wall: 7001.09, 0.00297725/step, 2.19109 hours remaining, 206.656250 MB of memory in use. ENERGY: 2350600 750.5822 2033.9793 1974.3497 115.8823 -206517.7262 17967.3920 0.0000 0.0000 34262.4663 -149413.0744 299.2226 -183675.5407 -149318.1086 299.0772 169.6547 201.9014 555394.0584 -6.7402 -6.6429 PRESSURE: 2350800 279.886 33.5203 192.143 33.5208 85.7346 125.659 192.144 125.659 -253.108 GPRESSURE: 2350800 256.833 38.2068 280.341 28.3798 87.6119 109.934 86.196 97.4535 -126.061 PRESSAVG: 2350800 16.342 50.0323 -38.528 50.0324 44.6803 1.39554 -38.528 1.39555 -42.3829 GPRESSAVG: 2350800 15.578 50.1318 -40.3981 50.7537 45.6482 1.08755 -36.2321 1.0965 -42.325 TIMING: 2350800 CPU: 7001.69, 0.00300097/step Wall: 7001.69, 0.00300097/step, 2.20838 hours remaining, 206.656250 MB of memory in use. ENERGY: 2350800 738.9235 2016.3495 1958.9046 118.4632 -206714.0989 18092.6291 0.0000 0.0000 34424.6939 -149364.1351 300.6394 -183788.8289 -149269.9638 299.6526 37.5042 72.7944 557097.6272 6.2131 6.3004 PRESSURE: 2351000 -161.758 -2.46538 -34.5778 -2.46713 23.4741 -166.994 -34.5785 -166.993 11.6331 GPRESSURE: 2351000 -85.5357 -30.7093 -67.8232 10.2911 -26.1308 -267.257 -47.7932 -107.74 81.4101 PRESSAVG: 2351000 26.6035 50.1469 -4.44767 50.1469 54.4639 -17.263 -4.44763 -17.263 -111.72 GPRESSAVG: 2351000 27.1665 49.1978 -2.50772 48.0819 53.492 -20.4122 -6.79037 -17.1341 -111.949 TIMING: 2351000 CPU: 7002.29, 0.00298226/step Wall: 7002.29, 0.00298226/step, 2.19445 hours remaining, 206.656250 MB of memory in use. ENERGY: 2351000 744.8614 2030.3494 1959.0011 102.7606 -206416.1400 17886.8159 0.0000 0.0000 34116.5685 -149575.7831 297.9485 -183692.3517 -149476.4288 299.0278 -42.2170 -10.0855 557235.4678 -10.2176 -10.4303 PRESSURE: 2351200 281.862 25.4726 -52.3001 25.4733 134.205 -35.5264 -52.2997 -35.5265 -284.149 GPRESSURE: 2351200 309.889 23.1541 22.3681 6.23779 153.166 -53.9098 -67.8979 -17.3568 -239.554 PRESSAVG: 2351200 38.9222 -55.332 -6.94362 -55.332 -2.86257 -9.99813 -6.94368 -9.99807 16.1597 GPRESSAVG: 2351200 38.0077 -54.4099 -8.9327 -53.3397 -0.797824 -7.52314 -5.02253 -9.48745 15.1635 TIMING: 2351200 CPU: 7002.89, 0.00297881/step Wall: 7002.89, 0.00297881/step, 2.19174 hours remaining, 206.656250 MB of memory in use. ENERGY: 2351200 723.1792 2078.9233 1960.4381 117.2646 -206224.2313 17779.7850 0.0000 0.0000 34055.0779 -149509.5630 297.4115 -183564.6410 -149409.3343 297.8888 43.9726 74.5006 556751.4662 17.4064 17.4578 PRESSURE: 2351400 109.835 -97.5654 -43.0269 -97.5653 128.473 -77.6082 -43.0269 -77.6079 -146.111 GPRESSURE: 2351400 156.57 -74.5734 -45.8379 -167.937 144.732 -27.5086 14.7322 -69.0525 -115.226 PRESSAVG: 2351400 8.75434 -3.23644 -48.4604 -3.23639 7.92629 21.9075 -48.4603 21.9075 -45.9543 GPRESSAVG: 2351400 9.21296 -2.57267 -47.4746 -4.76967 6.64921 22.154 -49.762 20.9419 -44.5266 TIMING: 2351400 CPU: 7003.48, 0.00297852/step Wall: 7003.48, 0.00297852/step, 2.19136 hours remaining, 206.656250 MB of memory in use. ENERGY: 2351400 771.2652 2085.3460 1915.4473 117.5775 -206430.6916 17891.3033 0.0000 0.0000 34323.7692 -149325.9830 299.7580 -183649.7522 -149222.5353 297.7676 30.7327 62.0253 558561.6447 -9.7579 -9.5548 PRESSURE: 2351600 134.042 29.0996 118.146 29.0992 -43.1506 -157.838 118.147 -157.838 247.682 GPRESSURE: 2351600 191.819 -55.4577 87.5059 25.6698 23.9648 -135.754 133.856 -141.331 217.134 PRESSAVG: 2351600 -3.74943 -53.1166 -3.16307 -53.1167 -13.8064 -33.7931 -3.16313 -33.7932 34.0306 GPRESSAVG: 2351600 -4.0129 -53.4933 -3.85351 -52.3702 -13.6984 -33.4481 -2.97282 -35.0442 34.1208 TIMING: 2351600 CPU: 7004.08, 0.00296984/step Wall: 7004.08, 0.00296984/step, 2.18481 hours remaining, 206.656250 MB of memory in use. ENERGY: 2351600 742.1818 2084.8205 1944.4309 125.1715 -206322.4635 17818.7676 0.0000 0.0000 34320.4377 -149286.6534 299.7289 -183607.0911 -149197.5927 299.2644 112.8578 144.3060 556188.7828 5.4916 5.4698 PRESSURE: 2351800 -119.877 193.025 153.418 193.026 114.85 130.453 153.417 130.452 31.5608 GPRESSURE: 2351800 -126.395 121.639 117.078 179.028 189.502 106.203 152.572 208.062 69.117 PRESSAVG: 2351800 56.5826 -5.50163 18.0694 -5.50156 -42.123 -23.9868 18.0693 -23.9868 22.588 GPRESSAVG: 2351800 57.9238 -5.38346 20.0051 -4.27327 -43.6883 -26.3874 17.4971 -21.8371 22.7168 TIMING: 2351800 CPU: 7004.67, 0.00297689/step Wall: 7004.67, 0.00297689/step, 2.18983 hours remaining, 206.656250 MB of memory in use. ENERGY: 2351800 738.2123 2028.0121 1932.2040 109.8341 -205766.7074 17660.1472 0.0000 0.0000 34053.7365 -149244.5613 297.3998 -183298.2978 -149152.2238 299.2297 8.8445 44.0748 558500.0771 12.3492 12.3175 PRESSURE: 2352000 -14.0714 189.058 -65.5031 189.057 254.384 -150.085 -65.5049 -150.084 -155.312 GPRESSURE: 2352000 30.8513 207.236 -86.6908 148.606 316.877 -193.275 -8.61543 -33.2356 -164.179 PRESSAVG: 2352000 -80.0415 -45.6052 31.0421 -45.6051 43.8871 16.3208 31.042 16.3208 87.2194 GPRESSAVG: 2352000 -81.1553 -46.0305 28.1385 -46.2028 45.4322 19.6374 33.0623 13.6858 87.586 TIMING: 2352000 CPU: 7005.27, 0.00298007/step Wall: 7005.27, 0.00298007/step, 2.19201 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: 2352000 749.1104 2086.4690 1939.9070 110.4047 -206394.0105 18029.5254 0.0000 0.0000 34380.5708 -149098.0232 300.2541 -183478.5940 -149007.5196 298.9310 28.3335 61.1832 558023.8009 17.0216 17.2876 PRESSURE: 2352200 -42.3773 -38.3218 90.2789 -38.3229 22.0373 111.146 90.2793 111.146 90.1233 GPRESSURE: 2352200 35.1762 -91.9948 86.7266 -69.6104 -10.2648 203.071 9.63981 86.6752 139.613 PRESSAVG: 2352200 -107.402 -5.57843 -63.829 -5.57855 33.5848 -39.5018 -63.8289 -39.5018 60.5956 GPRESSAVG: 2352200 -106.623 -6.67455 -62.5697 -6.90236 32.2986 -39.9919 -65.2166 -37.9565 60.8557 TIMING: 2352200 CPU: 7005.86, 0.00296784/step Wall: 7005.86, 0.00296784/step, 2.18284 hours remaining, 206.656250 MB of memory in use. ENERGY: 2352200 737.6463 2110.0471 1930.9483 100.9173 -206092.7584 17678.6463 0.0000 0.0000 34476.1383 -149058.4147 301.0887 -183534.5530 -148962.3462 300.0176 23.2611 54.8415 556237.7699 -4.4072 -4.4896 LDB: ============= START OF LOAD BALANCING ============== 7009.29 LDB: ============== END OF LOAD BALANCING =============== 7009.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7009.29 LDB: ============= START OF LOAD BALANCING ============== 7009.59 LDB: Largest compute 4821 load 0.027458 is 23.2% of average load 0.118105 LDB: Average compute 0.001719 is 1.5% of average load 0.118105 LDB: TIME 7009.59 LOAD: AVG 0.118105 MAX 0.204224 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.898 MB LDB: TIME 7009.6 LOAD: AVG 0.118105 MAX 0.204224 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.898 MB LDB: TIME 7009.6 LOAD: AVG 0.118105 MAX 0.204224 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.898 MB LDB: ============== END OF LOAD BALANCING =============== 7009.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7009.6 PRESSURE: 2352400 -190.059 -1.10504 -146.725 -1.10542 207.901 79.5976 -146.726 79.5989 92.2317 GPRESSURE: 2352400 -170.927 11.091 -120.611 -10.7526 197.732 44.3193 -105.071 31.6918 165.824 PRESSAVG: 2352400 19.3831 -22.7654 -5.35383 -22.7654 -7.62238 -39.4011 -5.35388 -39.4009 26.2625 GPRESSAVG: 2352400 18.2828 -22.66 -5.47987 -20.8679 -6.88916 -40.0441 -4.70876 -41.6406 26.1045 TIMING: 2352400 CPU: 7006.47, 0.00305759/step Wall: 7006.47, 0.00305759/step, 2.24869 hours remaining, 205.089844 MB of memory in use. ENERGY: 2352400 749.4849 2082.2989 1929.8378 123.8395 -205843.3157 17615.8606 0.0000 0.0000 34448.2136 -148893.7804 300.8448 -183341.9940 -148794.4369 300.2660 36.6913 64.2097 556502.8692 12.6744 12.4994 PRESSURE: 2352600 -167.851 -69.7344 76.3832 -69.7359 205.582 -11.8308 76.3843 -11.83 84.6027 GPRESSURE: 2352600 -113.615 -101.093 41.9272 -13.8842 249.731 -36.7536 32.3185 33.6452 79.4177 PRESSAVG: 2352600 0.160842 -0.182043 -30.2458 -0.182088 -7.70146 -38.2925 -30.2458 -38.2924 19.8405 GPRESSAVG: 2352600 -0.455864 -0.933416 -29.781 0.539433 -6.28242 -40.4996 -30.8893 -34.6311 18.6736 TIMING: 2352600 CPU: 7007.07, 0.00299322/step Wall: 7007.07, 0.00299322/step, 2.20118 hours remaining, 205.292969 MB of memory in use. ENERGY: 2352600 751.6576 2122.7382 1947.8332 115.1633 -206101.8775 17924.2352 0.0000 0.0000 34365.8120 -148874.4380 300.1252 -183240.2499 -148776.6074 300.1062 40.7778 71.8445 557852.3292 4.1000 3.9784 PRESSURE: 2352800 81.7417 -132.365 -59.1538 -132.365 -93.5939 166.528 -59.1542 166.527 188.425 GPRESSURE: 2352800 120.135 -91.5975 -0.158293 -167.15 -38.7758 273.02 -55.4934 178.54 190.334 PRESSAVG: 2352800 -35.571 -8.53306 0.715278 -8.53305 -30.6164 56.5384 0.715385 56.5384 36.7119 GPRESSAVG: 2352800 -35.2004 -5.90607 0.906338 -12.28 -31.675 56.3539 1.46931 55.6785 37.4908 TIMING: 2352800 CPU: 7007.67, 0.00301371/step Wall: 7007.67, 0.00301371/step, 2.21608 hours remaining, 205.292969 MB of memory in use. ENERGY: 2352800 787.9026 2049.4835 1931.8506 117.6781 -205940.4294 18045.9883 0.0000 0.0000 34173.5797 -148833.9466 298.4464 -183007.5263 -148739.3297 300.2856 58.8575 90.5644 558527.7327 -9.8252 -9.7949 PRESSURE: 2353000 119.754 23.5619 -86.4095 23.5622 124.349 -37.7712 -86.4092 -37.7711 -32.6738 GPRESSURE: 2353000 134.34 1.95526 -118.319 15.3386 109.959 -34.4306 -61.0037 10.4496 61.9818 PRESSAVG: 2353000 29.5504 -25.1531 -14.5355 -25.1532 -6.22071 4.15284 -14.5355 4.15279 -11.5856 GPRESSAVG: 2353000 29.7254 -27.0865 -13.9312 -24.1457 -7.41095 7.78698 -13.7843 4.43691 -10.7874 TIMING: 2353000 CPU: 7008.27, 0.00299485/step Wall: 7008.27, 0.00299485/step, 2.20205 hours remaining, 205.292969 MB of memory in use. ENERGY: 2353000 704.8149 2114.3509 1946.5362 123.6416 -206273.5800 17944.8034 0.0000 0.0000 34730.9528 -148708.4801 303.3140 -183439.4329 -148608.3657 300.9022 70.4764 102.0937 558025.6659 3.9147 3.8423 PRESSURE: 2353200 -42.2414 127.156 -105.554 127.156 -16.468 116.022 -105.554 116.022 129.96 GPRESSURE: 2353200 20.3262 150.382 -114.64 148.213 7.44937 172.397 -144.489 161.577 139.94 PRESSAVG: 2353200 10.2435 -17.7654 -16.3542 -17.7653 -17.3756 -8.12325 -16.3543 -8.12321 21.0239 GPRESSAVG: 2353200 12.0745 -17.3003 -17.0227 -16.7213 -17.9002 -9.99066 -16.6383 -9.66801 19.5005 TIMING: 2353200 CPU: 7008.88, 0.00301351/step Wall: 7008.88, 0.00301351/step, 2.2156 hours remaining, 205.292969 MB of memory in use. ENERGY: 2353200 730.8036 2112.0147 1930.4434 118.0469 -205600.5764 17565.0165 0.0000 0.0000 34396.2183 -148748.0329 300.3907 -183144.2512 -148657.3817 300.5583 23.7504 55.9053 557044.7012 4.6306 4.5583 PRESSURE: 2353400 -27.0174 84.0264 57.8713 84.026 -232.66 201.947 57.8705 201.948 -273.066 GPRESSURE: 2353400 -21.3485 135.557 115.652 51.5554 -223.213 210.85 27.9659 225.759 -182.653 PRESSAVG: 2353400 41.376 22.4205 -38.7945 22.4204 -21.5534 44.6915 -38.7945 44.6915 -30.773 GPRESSAVG: 2353400 40.3334 21.0206 -38.2725 21.1058 -21.6958 44.4658 -38.6444 47.8095 -30.0654 TIMING: 2353400 CPU: 7009.48, 0.00303259/step Wall: 7009.48, 0.00303259/step, 2.22946 hours remaining, 205.292969 MB of memory in use. ENERGY: 2353400 793.7361 2111.4225 1923.1882 108.0555 -205590.8915 17538.8542 0.0000 0.0000 34429.9432 -148685.6918 300.6853 -183115.6350 -148604.0040 301.0401 -177.5811 -142.4050 558288.8620 -3.6502 -3.8093 PRESSURE: 2353600 -17.198 -49.9924 -18.9425 -49.9923 -116.061 -171.276 -18.9432 -171.276 -52.8832 GPRESSURE: 2353600 42.4377 -58.7014 -14.0224 -26.9393 -76.9483 -145.447 -33.2797 -141.07 -65.9302 PRESSAVG: 2353600 52.1118 49.3218 -13.0592 49.3218 -86.166 58.0229 -13.0592 58.0229 -5.15521 GPRESSAVG: 2353600 53.0698 50.6167 -13.2982 51.3358 -86.4517 57.5091 -13.7416 59.0637 -6.2877 TIMING: 2353600 CPU: 7010.08, 0.00301002/step Wall: 7010.08, 0.00301002/step, 2.2127 hours remaining, 205.292969 MB of memory in use. ENERGY: 2353600 769.8117 2092.1767 1964.3075 119.8459 -205926.6560 17802.1970 0.0000 0.0000 34414.0619 -148764.2553 300.5466 -183178.3172 -148666.1240 300.7156 -62.0474 -33.4803 559100.2745 -13.0698 -13.2232 PRESSURE: 2353800 -31.6782 -0.969844 40.605 -0.970038 -258.527 -17.0601 40.6052 -17.0607 -115.893 GPRESSURE: 2353800 7.16438 39.1859 57.4301 -70.64 -291.271 77.0835 50.5455 -88.9705 -30.7641 PRESSAVG: 2353800 -52.367 20.379 10.9239 20.3788 28.8064 -3.0865 10.9238 -3.0865 17.7162 GPRESSAVG: 2353800 -53.376 20.7246 11.4821 18.4547 28.7228 -0.815015 9.90268 -5.55252 18.9747 TIMING: 2353800 CPU: 7010.68, 0.00300034/step Wall: 7010.68, 0.00300034/step, 2.20542 hours remaining, 205.292969 MB of memory in use. ENERGY: 2353800 738.7567 2062.3288 1964.0283 114.9780 -206045.9662 17619.0975 0.0000 0.0000 34544.0302 -149002.7467 301.6816 -183546.7768 -148899.8978 300.3067 -135.3659 -104.9571 558761.8264 -1.9481 -1.8928 PRESSURE: 2354000 177.855 -32.533 64.9874 -32.5343 -113.98 -109.005 64.9873 -109.006 40.9984 GPRESSURE: 2354000 221.022 -49.6392 164.01 -79.0489 -58.4158 -193.611 29.1588 -111.032 46.5124 PRESSAVG: 2354000 19.5902 18.4845 60.96 18.4846 -55.8019 8.76856 60.9601 8.76849 52.2178 GPRESSAVG: 2354000 20.3902 20.3128 60.9021 18.1787 -55.2579 7.02953 62.119 7.63005 51.0976 TIMING: 2354000 CPU: 7011.28, 0.00299286/step Wall: 7011.28, 0.00299286/step, 2.19976 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: 2354000 742.3918 2065.9508 1959.5783 118.0732 -206344.7517 17920.0266 0.0000 0.0000 34440.8017 -149097.9292 300.7801 -183538.7309 -149004.1554 300.1384 34.9577 69.7062 559246.4791 5.3354 5.4100 PRESSURE: 2354200 -54.628 66.4467 -18.3109 66.4462 -112.606 -16.2275 -18.3106 -16.2267 -306.193 GPRESSURE: 2354200 -75.5353 -14.6956 0.567636 138.871 -74.8494 15.7364 -62.0186 -55.2597 -215.697 PRESSAVG: 2354200 22.582 -51.8964 -53.1145 -51.8964 -50.748 -3.23988 -53.1145 -3.24002 -1.41961 GPRESSAVG: 2354200 22.3276 -53.9663 -53.8409 -50.8179 -51.6859 -3.73509 -53.9856 -1.66111 -0.070818 TIMING: 2354200 CPU: 7011.88, 0.00296296/step Wall: 7011.88, 0.00296296/step, 2.17761 hours remaining, 205.292969 MB of memory in use. ENERGY: 2354200 737.8701 2049.4298 1961.3156 121.1242 -206137.0852 17753.8606 0.0000 0.0000 34405.3757 -149108.1092 300.4707 -183513.4849 -149012.6300 299.8916 -157.8091 -122.0273 558553.6839 -9.8619 -9.8097 PRESSURE: 2354400 -17.4117 168.702 -36.428 168.701 -89.2123 0.24949 -36.4285 0.24953 -53.838 GPRESSURE: 2354400 -24.63 272.462 -7.67691 159.988 -37.9725 -16.3749 -10.4601 10.085 8.93634 PRESSAVG: 2354400 -26.4354 -16.4683 -30.8544 -16.4683 38.5164 27.5659 -30.8545 27.566 -20.1439 GPRESSAVG: 2354400 -25.9257 -17.8532 -30.484 -16.5379 39.0417 26.5241 -29.4848 28.0488 -21.1848 TIMING: 2354400 CPU: 7012.47, 0.00298416/step Wall: 7012.47, 0.00298416/step, 2.19303 hours remaining, 205.292969 MB of memory in use. ENERGY: 2354400 765.6391 2110.9206 1930.7392 101.4481 -206288.3398 17963.0683 0.0000 0.0000 34299.9720 -149116.5524 299.5502 -183416.5244 -149014.8694 299.7021 -53.4874 -17.8887 558652.3191 -2.6876 -2.6896 PRESSURE: 2354600 -170.414 -56.4091 -12.5292 -56.4088 49.5464 -78.4824 -12.5299 -78.4821 -49.2131 GPRESSURE: 2354600 -95.5411 -107.683 42.9217 24.4245 77.8143 -45.151 12.6408 -125.136 -40.5823 PRESSAVG: 2354600 -6.33799 37.0116 -32.7134 37.0115 -33.4224 -7.7855 -32.7136 -7.78551 27.1835 GPRESSAVG: 2354600 -7.6952 37.115 -32.7131 37.413 -32.8473 -5.5277 -33.1625 -9.97654 27.7797 TIMING: 2354600 CPU: 7013.07, 0.00299712/step Wall: 7013.07, 0.00299712/step, 2.20238 hours remaining, 205.292969 MB of memory in use. ENERGY: 2354600 759.8922 2098.1162 1957.6404 109.2608 -206253.5900 17893.6471 0.0000 0.0000 34369.2732 -149065.7600 300.1554 -183435.0332 -148969.8712 299.3611 -56.6937 -19.4364 558777.1075 -4.1923 -4.2543 PRESSURE: 2354800 234.678 62.1185 13.2043 62.1194 -148.204 -62.0673 13.2051 -62.0659 -19.8405 GPRESSURE: 2354800 265.192 1.48688 -66.2548 62.0263 -109.937 -53.9891 -15.1281 -76.0586 10.0327 PRESSAVG: 2354800 0.942969 12.2672 -20.3018 12.2672 -17.0721 -23.1661 -20.3019 -23.1661 -11.4221 GPRESSAVG: 2354800 1.39453 13.4772 -19.7488 10.3959 -17.2862 -24.0855 -19.8377 -22.4464 -12.3609 TIMING: 2354800 CPU: 7013.67, 0.00298783/step Wall: 7013.67, 0.00298783/step, 2.19539 hours remaining, 205.292969 MB of memory in use. ENERGY: 2354800 741.9622 2067.5627 1964.8051 123.6383 -206432.8194 18019.4449 0.0000 0.0000 34273.1853 -149242.2210 299.3163 -183515.4063 -149146.0687 298.6675 22.2111 55.0959 558530.1655 -9.1838 -9.4175 PRESSURE: 2355000 -39.3462 -125.85 73.1569 -125.85 -129.119 165.275 73.1591 165.276 -131.428 GPRESSURE: 2355000 -41.5135 -90.744 72.8043 -114.941 -63.5101 237.7 56.7848 164.324 -94.5024 PRESSAVG: 2355000 41.31 21.717 22.6622 21.7171 -64.0576 30.222 22.6623 30.222 70.2715 GPRESSAVG: 2355000 41.6167 20.8654 24.0072 25.8377 -63.9367 30.4136 22.9658 29.3508 70.3633 TIMING: 2355000 CPU: 7014.27, 0.00301244/step Wall: 7014.27, 0.00301244/step, 2.21331 hours remaining, 205.292969 MB of memory in use. ENERGY: 2355000 723.5031 2094.8353 1933.6106 113.3485 -205799.6225 17498.1403 0.0000 0.0000 34320.3599 -149115.8248 299.7282 -183436.1847 -149010.6520 299.2760 -99.9644 -66.5087 557124.2611 15.8413 16.0144 PRESSURE: 2355200 -234.412 -19.4904 -66.0227 -19.4898 -38.6049 141.529 -66.0221 141.53 -9.21974 GPRESSURE: 2355200 -231.27 -53.9915 -43.8565 -105.91 -3.01862 193.531 -37.6977 45.2152 53.0948 PRESSAVG: 2355200 21.288 11.0082 -42.5891 11.0082 -22.4584 -5.53824 -42.5893 -5.53821 14.0443 GPRESSAVG: 2355200 20.9554 11.3552 -45.7623 7.53642 -21.9021 -6.56574 -43.6174 -3.58324 13.9165 TIMING: 2355200 CPU: 7014.87, 0.00300843/step Wall: 7014.87, 0.00300843/step, 2.2102 hours remaining, 205.292969 MB of memory in use. ENERGY: 2355200 771.7985 2111.7715 1951.7077 115.3329 -206029.0605 17606.1558 0.0000 0.0000 34345.9862 -149126.3080 299.9520 -183472.2942 -149029.9168 298.0638 -94.0789 -60.3978 557877.4981 4.2913 4.3232 PRESSURE: 2355400 6.30054 -129.855 40.0548 -129.854 13.9012 -10.343 40.0565 -10.3436 -336.38 GPRESSURE: 2355400 44.1308 -115.307 135.578 -40.2796 31.6959 41.9754 4.47058 -35.3563 -298.849 PRESSAVG: 2355400 30.7205 28.2471 9.16305 28.247 0.439075 -79.104 9.16305 -79.1041 -23.5451 GPRESSAVG: 2355400 31.1234 30.3187 8.53116 28.9381 0.595682 -79.8243 9.60361 -80.3049 -24.0042 TIMING: 2355400 CPU: 7015.48, 0.00303728/step Wall: 7015.48, 0.00303728/step, 2.23122 hours remaining, 205.292969 MB of memory in use. ENERGY: 2355400 693.2962 2064.4075 1947.1644 129.5235 -205655.2171 17492.7795 0.0000 0.0000 34121.5937 -149206.4522 297.9924 -183328.0459 -149109.9731 298.9120 -105.3928 -74.3409 557855.5989 2.5381 2.5716 PRESSURE: 2355600 171.635 65.8353 -103.745 65.8359 -170.27 -237.177 -103.745 -237.179 87.634 GPRESSURE: 2355600 216.79 22.8912 -38.846 7.11555 -173.965 -170.907 -74.466 -228.997 140.308 PRESSAVG: 2355600 -25.8595 23.4339 -52.7145 23.4339 -11.4334 -61.3481 -52.7145 -61.3481 62.3528 GPRESSAVG: 2355600 -26.8587 21.479 -50.315 24.5606 -11.1456 -61.1682 -54.2677 -61.036 63.5129 TIMING: 2355600 CPU: 7016.08, 0.00301312/step Wall: 7016.08, 0.00301312/step, 2.21331 hours remaining, 205.292969 MB of memory in use. ENERGY: 2355600 746.7399 2043.0693 1963.0418 114.4171 -206346.3405 17895.6979 0.0000 0.0000 34330.0742 -149253.3003 299.8131 -183583.3745 -149155.4789 298.9971 29.6664 61.0441 557965.7253 8.3533 8.5029 PRESSURE: 2355800 -232.842 43.9002 -37.3218 43.9 -110.123 140.308 -37.3216 140.308 -222.792 GPRESSURE: 2355800 -136.001 -3.99628 -13.9831 11.6617 -137.309 145.474 -78.7115 117.706 -203.116 PRESSAVG: 2355800 -42.4729 12.8709 -15.9377 12.871 29.1746 -26.0974 -15.9377 -26.0975 -33.5223 GPRESSAVG: 2355800 -40.7099 13.4678 -15.3626 13.5981 28.7484 -25.6003 -14.3009 -25.2719 -35.0767 TIMING: 2355800 CPU: 7016.68, 0.00298788/step Wall: 7016.68, 0.00298788/step, 2.19459 hours remaining, 205.292969 MB of memory in use. ENERGY: 2355800 766.6861 2043.1300 1954.9409 103.6149 -205919.4120 17611.8065 0.0000 0.0000 34127.4356 -149311.7980 298.0434 -183439.2337 -149211.1894 298.7654 -188.5856 -158.8087 558242.6877 -15.6069 -15.6794 PRESSURE: 2356000 -134.379 45.358 -38.3155 45.3573 -147.97 39.0931 -38.3162 39.0942 -36.2382 GPRESSURE: 2356000 -118.333 31.2875 -8.32548 61.7717 -70.0269 16.0562 -72.8643 44.3731 -24.6157 PRESSAVG: 2356000 -43.6509 -8.02862 18.0998 -8.02875 25.6539 31.7884 18.0997 31.7885 13.8353 GPRESSAVG: 2356000 -45.0848 -9.78562 15.9907 -7.49969 26.3568 31.898 17.3136 29.0741 14.9192 TIMING: 2356000 CPU: 7017.28, 0.00299251/step Wall: 7017.28, 0.00299251/step, 2.19783 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: 2356000 765.2230 2081.1486 1938.5110 110.7369 -205744.7953 17663.8781 0.0000 0.0000 34190.3309 -148994.9669 298.5927 -183185.2978 -148898.1164 299.0395 -106.1959 -70.9918 559459.0425 -1.3873 -1.2696 PRESSURE: 2356200 127.284 -95.7474 -41.353 -95.7485 -104.639 3.03747 -41.3538 3.03827 91.5159 GPRESSURE: 2356200 156.554 -167.329 -5.74917 -98.939 -75.6601 18.0425 -56.4622 -4.80446 129.288 PRESSAVG: 2356200 -57.2589 3.34032 -7.43256 3.34036 46.4283 5.73587 -7.43256 5.73593 53.5313 GPRESSAVG: 2356200 -56.8458 4.79929 -6.28617 1.73502 46.0046 6.96265 -7.61705 6.91822 53.9013 TIMING: 2356200 CPU: 7017.88, 0.00298502/step Wall: 7017.88, 0.00298502/step, 2.19217 hours remaining, 205.292969 MB of memory in use. ENERGY: 2356200 704.6664 2079.1101 1993.2704 121.5117 -205938.2770 17713.0585 0.0000 0.0000 34413.1580 -148913.5018 300.5387 -183326.6599 -148815.0685 299.3027 38.0535 70.0608 558275.0033 14.2336 14.3534 LDB: ============= START OF LOAD BALANCING ============== 7021.31 LDB: ============== END OF LOAD BALANCING =============== 7021.31 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7021.31 LDB: ============= START OF LOAD BALANCING ============== 7021.61 LDB: Largest compute 4849 load 0.027665 is 23.4% of average load 0.118061 LDB: Average compute 0.001713 is 1.5% of average load 0.118061 LDB: TIME 7021.61 LOAD: AVG 0.118061 MAX 0.203832 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 7021.61 LOAD: AVG 0.118061 MAX 0.203832 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: TIME 7021.61 LOAD: AVG 0.118061 MAX 0.203832 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: ============== END OF LOAD BALANCING =============== 7021.61 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7021.62 PRESSURE: 2356400 -123.171 -131.678 17.6745 -131.679 115.255 17.2012 17.6748 17.2012 2.91717 GPRESSURE: 2356400 -59.5117 -86.4367 -42.4551 -171.281 90.0045 -61.1688 -3.0648 78.0177 64.2008 PRESSAVG: 2356400 -13.9693 -7.83582 -27.5474 -7.83588 21.6843 43.4257 -27.5474 43.4257 28.3229 GPRESSAVG: 2356400 -14.4667 -8.74124 -28.2504 -7.79438 21.6136 44.7421 -27.6184 43.5812 28.4456 TIMING: 2356400 CPU: 7018.49, 0.00306483/step Wall: 7018.49, 0.00306483/step, 2.25061 hours remaining, 207.222656 MB of memory in use. ENERGY: 2356400 763.0885 2077.5431 1951.0034 95.5866 -205507.0839 17672.2555 0.0000 0.0000 33979.5711 -148968.0356 296.7520 -182947.6067 -148878.7315 299.8661 -1.6663 31.5646 558167.7270 12.0126 11.8642 PRESSURE: 2356600 179.035 -128.074 -29.2098 -128.074 55.2713 -127.984 -29.2096 -127.984 -146.959 GPRESSURE: 2356600 212.544 -98.5498 -18.6052 -147.677 61.3906 -192.237 -11.2906 -122.241 -88.2498 PRESSAVG: 2356600 6.60054 -38.0326 -33.6166 -38.0326 -42.1721 0.751632 -33.6166 0.751656 13.2602 GPRESSAVG: 2356600 6.52482 -37.0598 -33.0154 -37.8854 -41.9452 1.03721 -35.2012 1.09021 12.6302 TIMING: 2356600 CPU: 7019.09, 0.00301425/step Wall: 7019.09, 0.00301425/step, 2.21329 hours remaining, 207.222656 MB of memory in use. ENERGY: 2356600 782.2102 2101.4270 1955.2382 106.3555 -205860.1962 17861.0137 0.0000 0.0000 34241.4377 -148812.5139 299.0390 -183053.9516 -148718.8784 299.6431 29.1157 61.8949 558552.1549 -7.4371 -7.5967 PRESSURE: 2356800 -71.652 2.91889 172.062 2.91853 -88.2722 -26.7805 172.063 -26.7816 -348.069 GPRESSURE: 2356800 -43.3953 42.8955 130.713 -121.617 -113.28 -43.7898 196.094 -105.923 -257.318 PRESSAVG: 2356800 -3.51072 -49.1783 5.74659 -49.1782 8.88369 -4.6758 5.74662 -4.67574 -54.3957 GPRESSAVG: 2356800 -3.54258 -46.5133 6.49468 -50.7452 7.33511 -6.58317 6.71829 -4.91132 -52.7705 TIMING: 2356800 CPU: 7019.69, 0.0030101/step Wall: 7019.69, 0.0030101/step, 2.21008 hours remaining, 207.222656 MB of memory in use. ENERGY: 2356800 752.3639 2090.3913 1931.4952 111.1645 -205451.5497 17567.4301 0.0000 0.0000 34142.3245 -148856.3801 298.1734 -182998.7046 -148764.3142 300.0226 -169.3310 -137.9979 558443.1208 -16.3409 -16.3260 PRESSURE: 2357000 -135.992 -7.62912 26.279 -7.62916 -99.9135 -69.2383 26.2786 -69.2374 -344.809 GPRESSURE: 2357000 -110.487 12.9083 -7.93626 44.7966 -86.9457 25.4137 48.7303 -109.992 -291.956 PRESSAVG: 2357000 39.4852 -45.4275 4.74108 -45.4276 65.6885 -32.5294 4.74115 -32.5294 -73.2131 GPRESSAVG: 2357000 40.743 -48.9036 4.5219 -44.3978 67.8746 -32.9196 6.3217 -33.5348 -75.8212 TIMING: 2357000 CPU: 7020.29, 0.00299997/step Wall: 7020.29, 0.00299997/step, 2.20247 hours remaining, 207.222656 MB of memory in use. ENERGY: 2357000 748.6564 2152.4698 1970.3241 121.6376 -205559.8246 17411.3643 0.0000 0.0000 34456.8510 -148698.5213 300.9203 -183155.3723 -148601.0188 300.2323 -193.5714 -163.1295 557682.1987 10.6535 10.9322 PRESSURE: 2357200 -132.352 0.508974 90.0366 0.509762 -67.0612 -171.606 90.0361 -171.607 -121.203 GPRESSURE: 2357200 -104.869 -48.2022 122.478 13.8474 -69.554 -66.7004 108.432 -136.37 -43.2282 PRESSAVG: 2357200 12.0112 -6.62454 12.0458 -6.62456 32.0855 0.020012 12.0457 0.0199083 -77.698 GPRESSAVG: 2357200 12.1294 -5.39137 11.4299 -6.9405 31.518 0.511603 13.3485 0.734499 -76.5021 TIMING: 2357200 CPU: 7020.89, 0.00296792/step Wall: 7020.89, 0.00296792/step, 2.17878 hours remaining, 207.222656 MB of memory in use. ENERGY: 2357200 724.8632 2130.5087 1951.1682 112.0705 -205684.2794 17560.4906 0.0000 0.0000 34528.5832 -148676.5949 301.5467 -183205.1781 -148584.6392 301.3309 -106.8721 -72.5503 558045.4330 -11.2004 -10.9515 PRESSURE: 2357400 -284.118 -150.46 134.08 -150.461 -118.079 15.8928 134.08 15.8926 -205.661 GPRESSURE: 2357400 -239.869 -135.854 67.285 -165.41 -79.9556 11.5932 187.96 -129.487 -173.287 PRESSAVG: 2357400 -41.4489 26.9861 -20.2569 26.9861 82.286 -42.1164 -20.2569 -42.1164 -72.7973 GPRESSAVG: 2357400 -41.3028 26.5606 -21.791 27.3753 82.7652 -42.6629 -20.3321 -42.7466 -73.5535 TIMING: 2357400 CPU: 7021.48, 0.00298071/step Wall: 7021.48, 0.00298071/step, 2.18801 hours remaining, 207.222656 MB of memory in use. ENERGY: 2357400 723.7278 2106.5782 1946.4344 108.8007 -205537.7480 17453.8441 0.0000 0.0000 34518.7477 -148679.6152 301.4608 -183198.3628 -148575.7161 301.5313 -202.6193 -164.3706 558078.3829 -10.6534 -10.6970 PRESSURE: 2357600 -115.036 -88.8483 28.933 -88.8482 -71.9148 -95.8767 28.9331 -95.877 150.651 GPRESSURE: 2357600 -79.4062 -99.0616 60.3675 -20.169 -13.3902 -42.5242 -38.7857 -72.1604 165.407 PRESSAVG: 2357600 -77.5222 -14.7039 22.2394 -14.704 34.2647 -6.60057 22.2394 -6.60041 33.0237 GPRESSAVG: 2357600 -76.9143 -13.7839 23.3349 -14.8374 34.4965 -7.19935 21.9355 -4.28013 32.672 TIMING: 2357600 CPU: 7022.08, 0.00297528/step Wall: 7022.08, 0.00297528/step, 2.18386 hours remaining, 207.222656 MB of memory in use. ENERGY: 2357600 740.3058 2058.3201 1926.0164 127.2161 -205900.1843 17804.5913 0.0000 0.0000 34297.6711 -148946.0634 299.5301 -183243.7345 -148846.0683 301.1379 -12.0998 24.2034 558522.3591 -3.4113 -3.2486 PRESSURE: 2357800 -141.272 -36.9731 39.8741 -36.9729 -233.454 -65.829 39.8741 -65.8268 -127.34 GPRESSURE: 2357800 -126.406 -109.931 89.0672 -9.77131 -162.477 -183.884 12.2355 -10.5661 -115.575 PRESSAVG: 2357800 89.1239 60.2261 -13.2438 60.2262 -37.2768 -43.333 -13.2438 -43.3329 23.9025 GPRESSAVG: 2357800 90.252 57.895 -13.5577 59.8328 -39.0458 -44.0791 -12.7109 -43.0815 25.0541 TIMING: 2357800 CPU: 7022.67, 0.00296571/step Wall: 7022.67, 0.00296571/step, 2.17666 hours remaining, 207.222656 MB of memory in use. ENERGY: 2357800 759.4902 2028.8495 1984.0455 124.4777 -205444.2562 17574.7446 0.0000 0.0000 34145.7055 -148826.9433 298.2029 -182972.6487 -148731.1825 300.1101 -167.3553 -134.8192 558937.7320 25.2499 25.4201 PRESSURE: 2358000 -50.5537 16.1028 -29.6627 16.1023 16.9271 64.3814 -29.6615 64.3822 461.183 GPRESSURE: 2358000 2.66019 -23.5241 -60.942 29.0038 57.3411 76.4622 9.62596 138.002 469.826 PRESSAVG: 2358000 -52.2166 40.8395 14.4531 40.8395 -8.50624 11.1852 14.4531 11.1851 31.4145 GPRESSAVG: 2358000 -54.1423 42.701 14.7196 40.5223 -7.28588 13.5459 14.566 7.76464 32.3822 TIMING: 2358000 CPU: 7023.26, 0.00295055/step Wall: 7023.26, 0.00295055/step, 2.16537 hours remaining, 207.222656 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: 2358000 751.8012 2024.6114 1959.6633 115.2434 -206139.0677 18051.0960 0.0000 0.0000 34511.0036 -148725.6487 301.3932 -183236.6523 -148629.2324 300.6508 142.5188 176.6092 558237.0504 -9.7695 -9.6820 PRESSURE: 2358200 -208.861 43.164 6.97206 43.1651 -97.3523 39.3222 6.97213 39.321 -78.7252 GPRESSURE: 2358200 -193.691 -72.7231 61.1588 82.0241 -51.3108 104.406 15.1096 -26.2632 -44.2145 PRESSAVG: 2358200 31.4292 -29.3787 56.4791 -29.3787 -8.69527 26.1688 56.4791 26.1688 -8.94466 GPRESSAVG: 2358200 31.4011 -30.06 57.4804 -29.0659 -7.44367 26.3917 53.48 27.1484 -9.84547 TIMING: 2358200 CPU: 7023.86, 0.00299758/step Wall: 7023.86, 0.00299758/step, 2.19972 hours remaining, 207.222656 MB of memory in use. ENERGY: 2358200 708.7990 2100.2649 1993.0401 118.3879 -205926.3658 17694.1706 0.0000 0.0000 34363.2752 -148948.4281 300.1030 -183311.7033 -148845.5679 301.1163 -128.3128 -96.4056 559248.1421 4.5964 4.7040 PRESSURE: 2358400 -233.832 -119.891 -60.8199 -119.891 -195.771 93.3813 -60.8202 93.3815 -101.775 GPRESSURE: 2358400 -206.996 -83.481 -11.9084 -101.93 -161.318 166.254 -147.163 151.686 -61.2002 PRESSAVG: 2358400 -23.062 37.9866 -11.0966 37.9865 -1.80862 -26.3032 -11.0966 -26.3033 -4.36835 GPRESSAVG: 2358400 -22.9526 38.0011 -10.6481 38.7623 -2.0621 -27.772 -11.0713 -25.3023 -4.67049 TIMING: 2358400 CPU: 7024.46, 0.00299374/step Wall: 7024.46, 0.00299374/step, 2.19674 hours remaining, 207.222656 MB of memory in use. ENERGY: 2358400 785.4177 2083.6372 1930.8872 96.0360 -205617.7151 17488.0870 0.0000 0.0000 34380.5720 -148853.0779 300.2541 -183233.6499 -148757.6852 300.3049 -177.1259 -143.1717 559228.4317 -9.7463 -9.8951 PRESSURE: 2358600 102.462 90.0754 -242.339 90.0758 -35.8813 -117.984 -242.337 -117.983 142.207 GPRESSURE: 2358600 157.681 49.8656 -202.06 107.993 29.7197 -164.812 -267.037 -101.125 117.899 PRESSAVG: 2358600 -13.632 3.42154 -34.5429 3.42155 43.9073 -3.55152 -34.5428 -3.55158 -35.1979 GPRESSAVG: 2358600 -12.8156 2.32141 -35.9287 2.82275 42.5767 -0.391949 -34.5203 -5.76005 -35.5731 TIMING: 2358600 CPU: 7025.06, 0.00299874/step Wall: 7025.06, 0.00299874/step, 2.20024 hours remaining, 207.222656 MB of memory in use. ENERGY: 2358600 776.3310 2079.0149 1945.1304 127.0946 -206052.8739 18000.4521 0.0000 0.0000 34319.5827 -148805.2680 299.7215 -183124.8507 -148706.0957 299.9805 69.5959 101.7664 559158.2910 -1.6409 -1.9373 PRESSURE: 2358800 -71.3423 108.09 -46.3751 108.088 -273.145 26.6391 -46.3755 26.6381 -86.1864 GPRESSURE: 2358800 -61.0847 23.9862 -52.9692 129.548 -208.618 21.5681 -15.1282 -0.791967 -66.2344 PRESSAVG: 2358800 -28.7857 17.5828 19.0386 17.5827 74.3388 15.4937 19.0386 15.4938 -38.573 GPRESSAVG: 2358800 -29.3049 16.4042 19.0131 17.0964 74.3953 13.2552 19.358 16.6238 -38.4069 TIMING: 2358800 CPU: 7025.66, 0.00299716/step Wall: 7025.66, 0.00299716/step, 2.19892 hours remaining, 207.222656 MB of memory in use. ENERGY: 2358800 740.3046 2063.5383 1957.1067 117.6749 -205981.8194 17748.9420 0.0000 0.0000 34388.2977 -148965.9551 300.3216 -183354.2528 -148864.5434 299.8518 -143.5578 -111.9791 559656.4604 2.3267 2.2278 PRESSURE: 2359000 -71.1741 -90.6901 142.793 -90.6892 59.5499 198.773 142.794 198.773 98.5197 GPRESSURE: 2359000 -6.06196 -119.59 76.9269 -85.6064 16.0179 126.145 150.42 192.367 176.404 PRESSAVG: 2359000 -20.4754 36.8001 13.6929 36.8001 78.3863 -6.37366 13.6929 -6.37368 -29.5902 GPRESSAVG: 2359000 -21.0583 37.7773 12.4464 37.5879 78.2325 -6.16199 14.4224 -4.73087 -28.4937 TIMING: 2359000 CPU: 7026.26, 0.00300409/step Wall: 7026.26, 0.00300408/step, 2.20383 hours remaining, 207.222656 MB of memory in use. ENERGY: 2359000 759.7183 2099.6552 1937.2297 117.1900 -206053.9041 17911.8552 0.0000 0.0000 34024.6557 -149203.6000 297.1458 -183228.2556 -149112.1089 299.4751 28.9652 62.1199 558875.9325 9.4403 9.5602 PRESSURE: 2359200 28.1796 -40.0491 -7.08507 -40.0483 -89.9409 -19.048 -7.08438 -19.0475 89.0778 GPRESSURE: 2359200 61.6281 54.1843 71.8031 -61.1149 -38.7518 -81.403 -10.2915 30.5222 108.468 PRESSAVG: 2359200 73.5132 16.1245 5.61767 16.1246 -1.44376 -14.1542 5.6176 -14.1543 -45.0093 GPRESSAVG: 2359200 73.8468 16.7126 7.24585 16.9794 -1.34789 -13.1785 5.10514 -14.7131 -45.7624 TIMING: 2359200 CPU: 7026.85, 0.00296975/step Wall: 7026.85, 0.00296975/step, 2.17847 hours remaining, 207.222656 MB of memory in use. ENERGY: 2359200 737.0757 2036.6255 1943.8180 108.5309 -206157.4778 17827.0354 0.0000 0.0000 34111.8795 -149392.5127 297.9075 -183504.3922 -149294.4121 298.8173 9.1055 43.7815 557924.6976 9.0201 8.9122 PRESSURE: 2359400 -23.7471 -17.207 -57.6515 -17.2074 87.4388 -12.8543 -57.6499 -12.8531 -57.1429 GPRESSURE: 2359400 -9.69653 -48.472 -101.754 -18.131 74.1846 -9.04097 -92.9055 -24.9644 35.5887 PRESSAVG: 2359400 51.8199 -52.394 9.3261 -52.3939 -28.9545 -8.71397 9.32609 -8.71394 -19.0668 GPRESSAVG: 2359400 52.0209 -52.2158 6.44194 -53.996 -29.322 -7.64538 11.0586 -10.9449 -18.9635 TIMING: 2359400 CPU: 7027.45, 0.00298153/step Wall: 7027.45, 0.00298153/step, 2.18695 hours remaining, 207.222656 MB of memory in use. ENERGY: 2359400 764.1041 2089.7971 1934.8443 109.1830 -206193.3319 17839.0416 0.0000 0.0000 34225.4622 -149230.8996 298.8995 -183456.3618 -149138.0566 299.1904 2.1829 33.3589 558140.6787 1.2662 1.2451 PRESSURE: 2359600 -48.1436 -48.0336 92.8318 -48.0324 53.4583 -56.6437 92.8312 -56.6446 7.92201 GPRESSURE: 2359600 -15.0145 -45.3879 88.4913 -46.6779 89.6093 -29.905 33.102 -99.8366 42.0377 PRESSAVG: 2359600 42.4732 -44.6805 9.50616 -44.6805 -7.05118 -31.0779 9.5061 -31.0779 -25.3842 GPRESSAVG: 2359600 41.7964 -45.5442 11.5073 -44.5851 -6.88259 -33.393 6.88578 -30.2312 -25.255 TIMING: 2359600 CPU: 7028.05, 0.00298004/step Wall: 7028.05, 0.00298004/step, 2.1857 hours remaining, 207.222656 MB of memory in use. ENERGY: 2359600 741.0098 2083.3529 1964.7746 108.8823 -206219.8298 17795.7267 0.0000 0.0000 34437.7530 -149088.3305 300.7535 -183526.0836 -148986.2114 299.5791 4.4122 38.8775 557638.0905 3.3459 3.2196 PRESSURE: 2359800 -67.6245 -90.9553 -157.912 -90.9559 -39.7051 37.7363 -157.913 37.7371 -250.761 GPRESSURE: 2359800 -32.4239 -76.8804 -137.644 -66.0717 -15.992 104.013 -139.132 60.3191 -211.641 PRESSAVG: 2359800 -16.6794 -38.9541 29.1841 -38.954 -9.24979 -36.9918 29.1841 -36.9919 -5.65076 GPRESSAVG: 2359800 -16.4665 -38.7427 30.5967 -38.8753 -10.0349 -35.93 29.5125 -34.1865 -5.17309 TIMING: 2359800 CPU: 7028.64, 0.00296459/step Wall: 7028.64, 0.00296459/step, 2.1742 hours remaining, 207.222656 MB of memory in use. ENERGY: 2359800 748.4617 2063.0406 1935.3560 119.9211 -206271.1959 17753.4757 0.0000 0.0000 34351.0586 -149299.8823 299.9963 -183650.9408 -149213.2381 299.9470 -119.3635 -86.6857 557373.7551 -10.5267 -10.5582 PRESSURE: 2360000 -417.199 -86.7946 -106.152 -86.7947 -152.981 -250.482 -106.152 -250.481 -183.288 GPRESSURE: 2360000 -383.543 -55.95 -132.622 -50.479 -136.671 -183.462 -114.967 -187.74 -141.457 PRESSAVG: 2360000 -2.9252 -69.6727 -72.852 -69.6727 33.1533 -34.2318 -72.852 -34.2315 -7.25606 GPRESSAVG: 2360000 -3.48992 -68.4106 -73.2 -68.8175 35.0241 -34.0477 -72.926 -37.5071 -8.30994 TIMING: 2360000 CPU: 7029.23, 0.00294215/step Wall: 7029.23, 0.00294215/step, 2.15757 hours remaining, 207.222656 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: 2360000 726.1589 2101.5748 1962.5169 115.9674 -205889.0179 17523.3178 0.0000 0.0000 34325.3367 -149134.1454 299.7717 -183459.4821 -149034.7267 299.0472 -251.1561 -220.5570 560392.9058 7.6574 7.7414 PRESSURE: 2360200 9.66051 16.6172 -55.6609 16.6179 -22.2382 -178.002 -55.6599 -178 -492.076 GPRESSURE: 2360200 -6.82171 -49.9768 -38.6786 -36.0804 -4.25096 -190.182 -74.3978 -146.953 -392.718 PRESSAVG: 2360200 39.4297 30.4577 -8.73825 30.4576 4.43792 -28.0348 -8.73824 -28.0348 -64.2107 GPRESSAVG: 2360200 39.9573 30.5632 -10.1107 30.5031 3.71785 -29.2421 -7.83036 -25.7427 -64.3842 TIMING: 2360200 CPU: 7029.82, 0.00297844/step Wall: 7029.82, 0.00297844/step, 2.18403 hours remaining, 207.222656 MB of memory in use. ENERGY: 2360200 761.6955 2106.9443 1970.7808 106.5906 -206099.5898 17659.0645 0.0000 0.0000 34265.4061 -149229.1080 299.2483 -183494.5141 -149134.5405 299.5150 -168.2179 -134.5968 559268.2821 -6.7810 -6.9030 LDB: ============= START OF LOAD BALANCING ============== 7033.25 LDB: ============== END OF LOAD BALANCING =============== 7033.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7033.25 LDB: ============= START OF LOAD BALANCING ============== 7033.55 LDB: Largest compute 4849 load 0.027565 is 23.3% of average load 0.118062 LDB: Average compute 0.001720 is 1.5% of average load 0.118062 LDB: TIME 7033.55 LOAD: AVG 0.118062 MAX 0.20302 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 7033.55 LOAD: AVG 0.118062 MAX 0.20302 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: TIME 7033.55 LOAD: AVG 0.118062 MAX 0.20302 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7033.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7033.56 PRESSURE: 2360400 -123.698 -164.453 -118.02 -164.452 -1.8356 134.789 -118.021 134.788 68.1771 GPRESSURE: 2360400 -117.57 -136.623 -273.226 -89.8231 93.2719 81.8966 -45.317 161.139 49.7614 PRESSAVG: 2360400 -29.0234 29.4005 18.2915 29.4005 22.1187 -10.7862 18.2915 -10.7862 -14.7047 GPRESSAVG: 2360400 -29.749 30.5041 18.2028 28.5237 21.4409 -11.4805 18.4271 -11.4941 -14.0846 TIMING: 2360400 CPU: 7030.43, 0.00303506/step Wall: 7030.43, 0.00303506/step, 2.22537 hours remaining, 207.285156 MB of memory in use. ENERGY: 2360400 786.3381 2123.6750 1943.8574 125.4546 -206176.1273 17924.4517 0.0000 0.0000 34061.1593 -149211.1912 297.4646 -183272.3505 -149123.5323 299.7218 -19.1189 8.4878 558941.1101 -7.2031 -7.4642 PRESSURE: 2360600 -225.745 102.214 -152.53 102.215 -95.5783 91.5078 -152.53 91.5066 -128.929 GPRESSURE: 2360600 -215.557 96.5303 -87.7059 204.869 -39.614 76.1416 -120.843 194.152 -103.676 PRESSAVG: 2360600 -27.7185 6.92602 -33.6117 6.92616 24.9932 -38.9733 -33.6118 -38.9732 28.1493 GPRESSAVG: 2360600 -27.4927 6.26601 -31.9702 7.43068 25.1623 -38.5314 -36.2958 -39.8283 27.4743 TIMING: 2360600 CPU: 7031.03, 0.00300327/step Wall: 7031.03, 0.00300327/step, 2.2019 hours remaining, 207.285156 MB of memory in use. ENERGY: 2360600 772.0505 2090.9528 1964.1661 101.4285 -206241.4961 17820.8294 0.0000 0.0000 34423.5988 -149068.4700 300.6298 -183492.0688 -148975.6000 300.0955 -150.0840 -119.6159 560251.7050 8.4746 8.3813 PRESSURE: 2360800 -418.94 145.721 -79.4989 145.721 -218.6 -65.4754 -79.4998 -65.4764 -226.152 GPRESSURE: 2360800 -378.91 66.7005 -123.555 97.4994 -203.618 -57.2245 -45.9542 -96.747 -189.197 PRESSAVG: 2360800 -31.4476 22.0868 -83.0522 22.0867 41.1644 -48.3328 -83.0522 -48.3328 -20.3344 GPRESSAVG: 2360800 -31.3281 21.7636 -83.5048 20.9146 41.0793 -48.5286 -81.3693 -49.4435 -20.445 TIMING: 2360800 CPU: 7031.63, 0.00298139/step Wall: 7031.63, 0.00298139/step, 2.18569 hours remaining, 207.285156 MB of memory in use. ENERGY: 2360800 801.1420 2071.1434 1961.5196 124.1329 -206216.3467 17780.8172 0.0000 0.0000 34293.1452 -149184.4464 299.4906 -183477.5916 -149089.2063 299.3587 -287.8974 -257.2414 560015.7025 -3.5392 -3.5646 PRESSURE: 2361000 -209.613 149.054 -164.761 149.054 7.25089 -42.2866 -164.761 -42.287 45.342 GPRESSURE: 2361000 -141.136 150.854 -81.2438 165.743 -12.8322 9.90296 -182.971 -25.9872 79.0782 PRESSAVG: 2361000 -52.469 -4.27937 -17.449 -4.27928 25.8326 -14.9887 -17.449 -14.9888 -3.22387 GPRESSAVG: 2361000 -53.0428 -4.43863 -16.1473 -2.81579 25.4592 -14.6704 -19.3277 -14.5785 -2.71017 TIMING: 2361000 CPU: 7032.22, 0.00297382/step Wall: 7032.22, 0.00297382/step, 2.17997 hours remaining, 207.285156 MB of memory in use. ENERGY: 2361000 766.1503 2085.8906 1947.5607 122.8815 -206024.4004 17717.3158 0.0000 0.0000 34300.1646 -149084.4369 299.5519 -183384.6015 -148985.7523 299.1889 -52.3402 -24.9632 558030.4003 -9.9534 -10.0979 PRESSURE: 2361200 3.18458 -28.5952 105.374 -28.595 -115.599 -42.9111 105.373 -42.9095 9.40435 GPRESSURE: 2361200 50.9888 109.292 90.8111 -89.1871 -89.5814 29.2925 33.5806 -136.331 25.3587 PRESSAVG: 2361200 -55.5849 16.5196 12.695 16.5196 49.8766 -55.6397 12.695 -55.6397 20.3779 GPRESSAVG: 2361200 -55.1605 16.1818 11.0944 16.9116 49.8475 -55.4679 15.2063 -56.3898 19.855 TIMING: 2361200 CPU: 7032.81, 0.00296014/step Wall: 7032.81, 0.00296014/step, 2.16978 hours remaining, 207.285156 MB of memory in use. ENERGY: 2361200 748.6239 2109.5845 1970.4103 126.2475 -206392.3237 17856.1801 0.0000 0.0000 34410.8416 -149170.4358 300.5184 -183581.2774 -149079.9674 300.0431 -34.3366 -4.4113 558246.1246 4.8898 4.8473 PRESSURE: 2361400 20.9126 95.1808 82.5154 95.1811 4.32637 177.771 82.5151 177.77 65.3153 GPRESSURE: 2361400 17.3729 128.465 89.2096 136.917 43.1916 121.57 46.9951 175.578 127.888 PRESSAVG: 2361400 4.02189 -9.81435 -22.1192 -9.81433 12.7171 -58.3563 -22.1192 -58.3564 10.6037 GPRESSAVG: 2361400 3.59224 -9.14375 -22.0863 -11.5768 13.4669 -58.4408 -21.9328 -57.7806 10.9298 TIMING: 2361400 CPU: 7033.41, 0.00297148/step Wall: 7033.41, 0.00297148/step, 2.17793 hours remaining, 207.285156 MB of memory in use. ENERGY: 2361400 782.1931 2083.2261 1945.8669 116.7872 -206590.5829 18088.6023 0.0000 0.0000 34394.6771 -149179.2302 300.3773 -183573.9073 -149081.1466 300.0673 30.1848 62.8175 558610.9259 9.1142 9.3296 PRESSURE: 2361600 65.5847 -174.303 -174.331 -174.302 -307.715 -263.356 -174.331 -263.355 56.3683 GPRESSURE: 2361600 59.4576 -109.786 -209.314 -195.701 -273.548 -267.393 -96.4485 -185.097 117.823 PRESSAVG: 2361600 20.0356 -19.1005 -31.5982 -19.1005 20.0886 -34.6999 -31.5982 -34.6998 -19.5361 GPRESSAVG: 2361600 19.2608 -18.9662 -29.8785 -18.4679 20.0703 -34.4655 -31.7966 -31.519 -18.6636 TIMING: 2361600 CPU: 7034.01, 0.00299934/step Wall: 7034.01, 0.00299934/step, 2.19818 hours remaining, 207.285156 MB of memory in use. ENERGY: 2361600 765.0381 2095.9913 1961.7518 118.2810 -206197.3036 17771.0726 0.0000 0.0000 34327.1754 -149157.9935 299.7878 -183485.1689 -149057.5858 299.7215 -61.9207 -32.0891 558538.9253 6.8627 6.8891 PRESSURE: 2361800 -17.3438 -77.9405 67.798 -77.9408 -483.46 -121.354 67.7966 -121.355 -345.685 GPRESSURE: 2361800 -16.1951 -38.7753 148.426 -71.9742 -495.936 -141.01 88.894 -65.8079 -243.76 PRESSAVG: 2361800 3.68522 19.1167 -17.9982 19.1166 -60.6245 -72.444 -17.9982 -72.4439 0.0719445 GPRESSAVG: 2361800 4.48038 18.9555 -18.8954 19.6668 -60.6195 -72.4263 -18.6206 -74.2629 -1.34008 TIMING: 2361800 CPU: 7034.6, 0.00297589/step Wall: 7034.6, 0.00297589/step, 2.18083 hours remaining, 207.285156 MB of memory in use. ENERGY: 2361800 769.7021 2107.2239 1981.5374 117.5610 -205819.5096 17429.3433 0.0000 0.0000 34306.0348 -149108.1071 299.6031 -183414.1419 -149007.7235 299.3258 -282.1630 -251.9638 559213.1823 -18.9558 -19.1597 PRESSURE: 2362000 96.3336 -165.394 127.462 -165.393 -6.44406 -2.91619 127.462 -2.91784 -60.9213 GPRESSURE: 2362000 151.156 -177.236 186.479 -161.994 -15.1717 7.37326 57.3649 21.935 -21.5261 PRESSAVG: 2362000 2.41464 2.48175 0.0796437 2.48158 58.2317 -45.3655 0.0797885 -45.3657 -75.8243 GPRESSAVG: 2362000 1.52622 1.62049 -2.08544 3.08724 56.7513 -45.1874 0.156563 -45.983 -74.1043 TIMING: 2362000 CPU: 7035.2, 0.00295965/step Wall: 7035.2, 0.00295965/step, 2.16876 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: 2362000 755.6466 2090.3786 1979.8114 109.7516 -206066.7573 17913.3074 0.0000 0.0000 34219.1907 -148998.6709 298.8447 -183217.8616 -148899.3700 299.9469 9.6561 38.1527 557938.6882 -5.0593 -5.2756 PRESSURE: 2362200 -92.7428 -28.2126 182.309 -28.2128 51.7919 22.3096 182.308 22.3103 -178.74 GPRESSURE: 2362200 -68.4597 -5.68931 92.4554 -108.33 118.261 45.6118 126.555 35.8021 -161.716 PRESSAVG: 2362200 34.8133 -31.9476 18.4803 -31.9476 -7.89542 -39.4928 18.4802 -39.4928 -27.9857 GPRESSAVG: 2362200 35.7491 -30.8277 19.0579 -33.8597 -6.66224 -37.6644 18.5425 -39.3167 -29.8009 TIMING: 2362200 CPU: 7035.79, 0.00296436/step Wall: 7035.79, 0.00296436/step, 2.17205 hours remaining, 207.285156 MB of memory in use. ENERGY: 2362200 746.4873 2133.1151 1963.4148 114.6519 -206059.2175 17625.0634 0.0000 0.0000 34348.6307 -149127.8544 299.9751 -183476.4851 -149031.8870 299.2460 -73.2304 -37.3051 557521.0716 -0.3560 -0.2380 PRESSURE: 2362400 131.529 -41.1668 -55.8405 -41.1671 -41.1167 27.1738 -55.8412 27.1735 -336.871 GPRESSURE: 2362400 178.871 -35.5853 -54.8059 -41.8464 0.162287 -27.8595 -51.5412 -10.5812 -319.89 PRESSAVG: 2362400 2.64455 38.8899 50.6109 38.8898 17.7431 -11.5806 50.6109 -11.5807 1.87593 GPRESSAVG: 2362400 2.06043 38.7164 51.3398 38.6947 17.8016 -13.1557 50.1308 -10.5951 2.64014 TIMING: 2362400 CPU: 7036.39, 0.00298654/step Wall: 7036.39, 0.00298654/step, 2.18814 hours remaining, 207.285156 MB of memory in use. ENERGY: 2362400 748.9679 2073.4353 1989.8800 116.7132 -206325.9242 17840.0621 0.0000 0.0000 34417.8465 -149139.0193 300.5796 -183556.8657 -149042.0276 299.5143 -82.1529 -46.9521 556777.8290 7.4212 7.5007 PRESSURE: 2362600 174.235 138.466 92.9665 138.466 -83.3496 121.044 92.967 121.043 -85.9081 GPRESSURE: 2362600 136.173 145.5 51.7406 199.105 -23.4327 80.4617 147.181 114.655 -17.5441 PRESSAVG: 2362600 36.7021 -37.3895 38.9538 -37.3896 -24.1356 1.59055 38.9538 1.59062 23.5042 GPRESSAVG: 2362600 37.0311 -38.4926 39.5047 -37.5781 -23.6804 -0.235622 38.7555 3.00325 23.0639 TIMING: 2362600 CPU: 7036.99, 0.00299732/step Wall: 7036.99, 0.00299732/step, 2.19587 hours remaining, 207.285156 MB of memory in use. ENERGY: 2362600 733.3473 2068.2882 1949.0634 125.6764 -206428.5514 17881.3893 0.0000 0.0000 34516.0190 -149154.7678 301.4370 -183670.7868 -149061.3617 299.5250 1.6590 31.7322 556472.3547 12.0236 12.1382 PRESSURE: 2362800 65.2632 -97.4294 -39.8759 -97.4297 -72.5002 146.866 -39.8754 146.867 58.4444 GPRESSURE: 2362800 70.3706 -59.0688 -64.026 -61.67 -38.1016 71.7968 26.7644 94.8467 111.82 PRESSAVG: 2362800 -45.4261 8.76957 17.4261 8.76968 51.0999 27.5791 17.4262 27.5791 -10.2109 GPRESSAVG: 2362800 -45.6915 7.0735 17.7465 10.2179 50.9784 29.1948 17.7093 25.7986 -9.67763 TIMING: 2362800 CPU: 7037.59, 0.00301137/step Wall: 7037.59, 0.00301137/step, 2.20599 hours remaining, 207.285156 MB of memory in use. ENERGY: 2362800 719.6932 2119.6155 1974.3494 106.7756 -206615.6674 17939.2238 0.0000 0.0000 34344.0224 -149411.9876 299.9349 -183756.0099 -149317.8599 299.4462 17.0691 48.0297 556738.3762 -1.5123 -1.4636 PRESSURE: 2363000 15.6555 49.8926 -29.5479 49.8931 27.3909 -133.266 -29.5489 -133.268 214.148 GPRESSURE: 2363000 92.5805 80.1864 -0.00151147 60.8964 -22.6089 -146.938 -52.1555 -79.8506 301.025 PRESSAVG: 2363000 38.282 -44.0011 -32.7473 -44.0012 -80.1627 -50.7405 -32.7471 -50.7404 37.1477 GPRESSAVG: 2363000 38.6031 -40.9292 -33.5753 -47.4387 -80.4316 -49.5762 -32.4734 -50.1888 37.3159 TIMING: 2363000 CPU: 7038.19, 0.00300246/step Wall: 7038.19, 0.00300246/step, 2.1993 hours remaining, 207.285156 MB of memory in use. ENERGY: 2363000 721.7617 2075.6089 1970.9486 120.2039 -206416.5302 18013.1561 0.0000 0.0000 34160.2713 -149354.5797 298.3301 -183514.8510 -149261.0417 298.6876 85.7316 123.6656 557844.9432 -1.5776 -1.5042 PRESSURE: 2363200 70.0547 -168.501 -11.6125 -168.501 -82.4383 -4.32265 -11.6143 -4.32158 -147.009 GPRESSURE: 2363200 89.997 -112.367 -34.871 -199.924 -14.9128 -63.6929 9.74949 -86.7705 -134.213 PRESSAVG: 2363200 -13.2577 11.0221 1.29387 11.0221 78.8917 -30.7312 1.29389 -30.7312 -40.7261 GPRESSAVG: 2363200 -13.1515 9.73378 2.02296 13.4107 80.2289 -32.3715 2.26627 -31.2175 -41.8653 TIMING: 2363200 CPU: 7038.79, 0.00298544/step Wall: 7038.79, 0.00298544/step, 2.18667 hours remaining, 207.285156 MB of memory in use. ENERGY: 2363200 706.7217 2085.1168 1967.3129 113.9525 -206196.0824 17827.5941 0.0000 0.0000 34127.5378 -149367.8467 298.0443 -183495.3845 -149279.5386 298.5514 -53.1310 -19.7095 558277.3217 8.3026 8.4040 PRESSURE: 2363400 88.5591 -64.8922 -107.193 -64.8935 -108.049 65.5125 -107.193 65.512 42.336 GPRESSURE: 2363400 185.829 -155.919 -126.409 -33.8974 -119.641 80.3183 -137.82 75.1287 56.3118 PRESSAVG: 2363400 25.8765 -15.3945 -5.45936 -15.3947 -6.64569 38.7727 -5.45933 38.7727 -16.7285 GPRESSAVG: 2363400 25.2709 -16.1803 -5.94159 -15.8618 -7.1979 39.1946 -5.75511 39.8517 -15.977 TIMING: 2363400 CPU: 7039.38, 0.00298069/step Wall: 7039.38, 0.00298069/step, 2.18303 hours remaining, 207.285156 MB of memory in use. ENERGY: 2363400 733.1464 2086.1641 1964.1110 112.6755 -206218.5360 17787.1247 0.0000 0.0000 34200.6600 -149334.6543 298.6829 -183535.3143 -149239.1033 299.1521 7.6155 40.8333 557126.6470 0.8341 0.6987 PRESSURE: 2363600 -59.691 116.349 -48.1199 116.35 -149.819 -59.1741 -48.1199 -59.1756 -161.358 GPRESSURE: 2363600 -40.1043 117.713 -53.5311 91.9848 -123.637 -5.21528 -47.6463 -92.211 -105.031 PRESSAVG: 2363600 -31.0302 38.0094 -25.9832 38.0094 15.07 20.261 -25.9831 20.2611 57.4252 GPRESSAVG: 2363600 -29.8699 40.1246 -27.2164 36.35 15.2973 19.7893 -24.4878 20.3943 55.8984 TIMING: 2363600 CPU: 7039.98, 0.00297864/step Wall: 7039.98, 0.00297864/step, 2.18136 hours remaining, 207.285156 MB of memory in use. ENERGY: 2363600 718.9771 2102.5349 1969.2525 112.2858 -206318.1430 17804.7426 0.0000 0.0000 34230.2844 -149380.0657 298.9416 -183610.3500 -149288.6277 298.9844 -123.6226 -89.5906 557707.4618 13.8217 13.7753 PRESSURE: 2363800 -163.166 123.042 14.0857 123.042 -439.652 237.475 14.0867 237.477 -428.832 GPRESSURE: 2363800 -140.84 84.6776 108.895 175.904 -397.41 263.751 -65.6301 203.329 -396.41 PRESSAVG: 2363800 54.8072 49.2601 4.30149 49.2602 -23.0263 -56.7461 4.30154 -56.746 -15.0598 GPRESSAVG: 2363800 54.7216 47.7748 4.96179 50.913 -24.2349 -55.8239 3.02362 -56.9183 -13.8785 TIMING: 2363800 CPU: 7040.57, 0.00297813/step Wall: 7040.57, 0.00297813/step, 2.18082 hours remaining, 207.285156 MB of memory in use. ENERGY: 2363800 785.2554 2083.0924 1967.6204 122.2573 -205851.3961 17548.2015 0.0000 0.0000 33894.1664 -149450.8027 296.0062 -183344.9691 -149360.7050 298.0716 -343.8835 -311.5536 559798.0954 5.5737 5.5361 PRESSURE: 2364000 -278.251 -165.167 -173.073 -165.168 -345.291 94.6662 -173.072 94.6669 -68.8146 GPRESSURE: 2364000 -213.91 -181.085 -275.543 -113.027 -330.629 123.911 -149.73 35.5222 -52.0822 PRESSAVG: 2364000 13.112 36.2142 3.81153 36.214 -40.9102 26.4545 3.81153 26.4545 -18.0013 GPRESSAVG: 2364000 11.858 37.1836 3.41009 35.5495 -40.3185 27.4004 3.74726 25.5192 -17.2659 TIMING: 2364000 CPU: 7041.17, 0.00299394/step Wall: 7041.17, 0.00299394/step, 2.19223 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: 2364000 754.2850 2099.5597 1940.4963 117.2103 -206400.7414 17791.5747 0.0000 0.0000 34176.9233 -149520.6921 298.4756 -183697.6154 -149422.2047 298.0788 -230.7854 -198.8737 559797.0714 -15.2665 -15.2421 PRESSURE: 2364200 -29.0057 54.077 100.059 54.0768 79.6446 -10.6197 100.059 -10.6205 107.716 GPRESSURE: 2364200 9.49317 28.1479 94.7222 67.8844 117.509 -36.6206 222.286 22.9087 120.101 PRESSAVG: 2364200 3.15193 90.647 -26.9706 90.647 -11.0743 22.8485 -26.9707 22.8485 -19.4536 GPRESSAVG: 2364200 3.83291 87.6312 -25.1157 93.0295 -10.6984 24.0461 -27.9121 20.5653 -20.6213 TIMING: 2364200 CPU: 7041.77, 0.00298743/step Wall: 7041.77, 0.00298743/step, 2.1873 hours remaining, 207.285156 MB of memory in use. ENERGY: 2364200 686.9244 2108.0610 1945.5888 98.4806 -206366.3900 17780.5142 0.0000 0.0000 34115.7550 -149631.0660 297.9414 -183746.8210 -149539.3329 297.9161 52.7849 82.3678 558589.3699 -9.1253 -9.1623 LDB: ============= START OF LOAD BALANCING ============== 7045.2 LDB: ============== END OF LOAD BALANCING =============== 7045.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7045.2 LDB: ============= START OF LOAD BALANCING ============== 7045.49 LDB: Largest compute 4821 load 0.025394 is 21.5% of average load 0.118098 LDB: Average compute 0.001712 is 1.4% of average load 0.118098 LDB: TIME 7045.5 LOAD: AVG 0.118098 MAX 0.205263 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 7045.5 LOAD: AVG 0.118098 MAX 0.205263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 7045.5 LOAD: AVG 0.118098 MAX 0.205263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7045.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7045.5 PRESSURE: 2364400 -28.5838 -137.232 -66.1673 -137.232 -240.107 -117.169 -66.1672 -117.17 59.0652 GPRESSURE: 2364400 30.3247 -117.646 -93.7442 -175.308 -241.433 -142.956 -120.294 -93.686 94.2828 PRESSAVG: 2364400 -36.0657 -12.1193 -65.359 -12.1193 -46.903 -15.0519 -65.3591 -15.052 76.4179 GPRESSAVG: 2364400 -36.137 -10.0567 -67.5421 -14.1789 -47.471 -16.996 -64.3084 -12.1925 76.855 TIMING: 2364400 CPU: 7042.37, 0.00301914/step Wall: 7042.37, 0.00301914/step, 2.21034 hours remaining, 207.281250 MB of memory in use. ENERGY: 2364400 696.0167 2077.9486 1957.4746 114.4196 -206320.1092 17643.3778 0.0000 0.0000 34123.3061 -149707.5658 298.0073 -183830.8719 -149605.5223 297.7964 -69.8752 -38.9419 556567.0888 -2.1836 -2.2510 PRESSURE: 2364600 120.048 -47.4633 -227.163 -47.462 135.447 80.7211 -227.161 80.7216 -12.4745 GPRESSURE: 2364600 100.985 7.5154 -192.987 -119.214 192.873 -10.3641 -123.149 163.723 24.4594 PRESSAVG: 2364600 17.2553 -23.8732 -63.6131 -23.8733 -28.9526 96.5374 -63.6131 96.5374 16.7854 GPRESSAVG: 2364600 17.6502 -24.101 -61.9939 -23.022 -29.1454 97.3038 -66.3628 97.2113 16.5424 TIMING: 2364600 CPU: 7042.97, 0.00299451/step Wall: 7042.97, 0.00299451/step, 2.19215 hours remaining, 207.281250 MB of memory in use. ENERGY: 2364600 711.5005 2073.1347 1966.0997 102.0408 -206706.4613 18022.3516 0.0000 0.0000 34038.7687 -149792.5653 297.2690 -183831.3340 -149690.9086 297.7716 81.0068 106.1060 555674.5410 1.6961 1.6824 PRESSURE: 2364800 29.3996 64.5208 -33.4909 64.5198 132.137 -69.405 -33.4911 -69.4044 -225.381 GPRESSURE: 2364800 100.559 135.6 23.4035 19.0589 151.939 -75.7756 -128.406 -101.094 -218.014 PRESSAVG: 2364800 -46.8333 14.0194 -79.8277 14.0193 49.0672 39.5974 -79.8277 39.5975 -10.4367 GPRESSAVG: 2364800 -46.0933 11.6694 -77.6292 16.2333 47.4607 40.0798 -80.0699 37.1972 -10.0744 TIMING: 2364800 CPU: 7043.57, 0.00299543/step Wall: 7043.57, 0.00299543/step, 2.19266 hours remaining, 207.281250 MB of memory in use. ENERGY: 2364800 750.3904 2075.0332 1941.9244 115.8307 -206790.9497 18073.2715 0.0000 0.0000 34336.1095 -149498.3900 299.8658 -183834.4995 -149403.5018 298.0827 -21.2814 11.4948 557084.4321 -2.7343 -2.9023 PRESSURE: 2365000 -172.736 -112.744 -28.4728 -112.745 0.775235 86.1525 -28.4738 86.153 -33.4465 GPRESSURE: 2365000 -170.973 -123.279 -103.038 -184.45 26.7475 136.426 40.4454 -30.9259 30.5221 PRESSAVG: 2365000 -42.8847 18.1432 -33.1519 18.1431 48.9547 -7.23305 -33.1519 -7.23313 -6.54845 GPRESSAVG: 2365000 -44.183 20.7632 -35.0314 17.3421 49.9658 -6.16922 -32.0683 -8.14306 -6.43561 TIMING: 2365000 CPU: 7044.17, 0.00300113/step Wall: 7044.17, 0.00300113/step, 2.19666 hours remaining, 207.281250 MB of memory in use. ENERGY: 2365000 751.8521 2099.5988 1978.5785 105.8050 -206393.1076 17869.4136 0.0000 0.0000 34071.6765 -149516.1831 297.5564 -183587.8595 -149417.1137 298.4661 -68.4691 -37.9010 558438.5164 -0.1595 -0.2176 PRESSURE: 2365200 46.1331 50.3978 26.3774 50.3983 141.271 -41.4968 26.3763 -41.4976 55.0538 GPRESSURE: 2365200 90.1076 64.7144 21.6356 19.9454 137.967 -49.4587 15.4495 -41.6164 115.974 PRESSAVG: 2365200 -17.052 -18.3636 30.6684 -18.3636 28.4405 0.506666 30.6685 0.506763 15.1383 GPRESSAVG: 2365200 -16.0864 -17.1679 30.1465 -20.6095 28.1041 0.941664 31.0798 1.32953 14.8561 TIMING: 2365200 CPU: 7044.77, 0.00299702/step Wall: 7044.77, 0.00299702/step, 2.19348 hours remaining, 207.281250 MB of memory in use. ENERGY: 2365200 730.3896 2091.6822 1953.1199 107.4675 -206508.2046 17962.9962 0.0000 0.0000 34197.7864 -149464.7629 298.6578 -183662.5492 -149368.1040 298.5077 80.8193 114.6829 557144.6873 8.8423 8.9579 PRESSURE: 2365400 -104.056 56.8994 61.7189 56.8993 -120.641 154.511 61.7192 154.51 -60.9357 GPRESSURE: 2365400 -32.88 28.8353 149.689 137.81 -90.6722 133.81 5.91068 139.319 -50.1208 PRESSAVG: 2365400 -26.2152 23.6664 -29.5317 23.6665 54.4054 30.3829 -29.5316 30.3829 -27.445 GPRESSAVG: 2365400 -26.9147 21.8333 -29.6644 24.4 55.6826 29.1551 -29.1381 33.1663 -27.843 TIMING: 2365400 CPU: 7045.37, 0.00297383/step Wall: 7045.37, 0.00297383/step, 2.17635 hours remaining, 207.281250 MB of memory in use. ENERGY: 2365400 771.6443 2050.1862 1954.3288 107.1358 -206260.4150 17760.7660 0.0000 0.0000 33983.0640 -149633.2900 296.7826 -183616.3540 -149541.2181 298.4001 -95.2110 -57.8910 557456.0943 0.2484 0.3083 PRESSURE: 2365600 -23.7672 -52.826 -82.9964 -52.8259 72.6649 -143.871 -82.9965 -143.872 -7.40797 GPRESSURE: 2365600 26.9181 -40.0514 -64.624 -41.3726 106.35 -131.828 -38.1533 -78.15 9.7047 PRESSAVG: 2365600 1.3545 24.6464 25.2383 24.6463 96.4535 5.98362 25.2383 5.98359 -68.4402 GPRESSAVG: 2365600 1.49592 24.8163 24.7288 25.3366 96.5618 7.05055 24.7557 5.1851 -68.7877 TIMING: 2365600 CPU: 7045.96, 0.00298244/step Wall: 7045.96, 0.00298244/step, 2.18248 hours remaining, 207.281250 MB of memory in use. ENERGY: 2365600 717.1094 2024.8613 1944.8557 128.7671 -206645.4949 18030.3975 0.0000 0.0000 34344.0709 -149455.4331 299.9353 -183799.5040 -149354.2699 298.5356 13.8299 47.6577 559120.5508 9.7893 9.7567 PRESSURE: 2365800 153.344 -118.317 123.54 -118.317 -218.163 184.395 123.54 184.395 -270.165 GPRESSURE: 2365800 193.532 -150.476 134.877 -136.085 -168.891 137.07 25.5585 148.359 -250.474 PRESSAVG: 2365800 17.7451 -34.4755 31.6246 -34.4755 25.3536 53.5967 31.6246 53.5967 0.302064 GPRESSAVG: 2365800 18.6544 -34.7786 32.1794 -34.437 23.6148 51.2254 31.737 54.504 1.42145 TIMING: 2365800 CPU: 7046.56, 0.00298105/step Wall: 7046.56, 0.00298105/step, 2.1813 hours remaining, 207.281250 MB of memory in use. ENERGY: 2365800 786.0705 2037.6519 1926.2689 100.7048 -206163.4182 17711.9044 0.0000 0.0000 34402.6636 -149198.1539 300.4470 -183600.8176 -149105.0266 299.1190 -111.6611 -75.2778 557800.2026 14.4669 14.5636 PRESSURE: 2366000 5.59394 5.55633 42.5798 5.55551 243.249 -41.0065 42.5793 -41.0068 111.057 GPRESSURE: 2366000 26.4469 21.681 -48.4373 -1.18513 274.97 10.7029 53.7849 -20.1881 156.419 PRESSAVG: 2366000 38.0708 -13.1869 -23.2913 -13.1871 -10.7237 19.0565 -23.2914 19.0566 -31.2523 GPRESSAVG: 2366000 39.1318 -11.5618 -24.8389 -13.9507 -10.0835 22.1731 -22.4414 17.7054 -32.5038 TIMING: 2366000 CPU: 7047.16, 0.00300679/step Wall: 7047.16, 0.00300679/step, 2.19997 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: 2366000 725.6520 2081.8560 1936.8995 114.6194 -206485.8636 18105.8671 0.0000 0.0000 34067.5581 -149453.4114 297.5205 -183520.9695 -149354.7717 298.7984 119.9667 152.6120 557764.7669 -1.3017 -1.1518 PRESSURE: 2366200 -104.926 8.6138 32.2503 8.61315 -268.66 107.533 32.249 107.533 -73.3689 GPRESSURE: 2366200 -86.5987 32.653 77.9662 22.0357 -231.138 84.8035 16.0009 106.014 -40.6161 PRESSAVG: 2366200 -28.6163 -13.8289 34.2407 -13.829 -34.4174 26.8182 34.2406 26.8184 20.3091 GPRESSAVG: 2366200 -30.3576 -14.0428 36.4362 -15.9048 -34.0791 26.2053 35.2408 24.7086 21.7394 TIMING: 2366200 CPU: 7047.76, 0.00300472/step Wall: 7047.76, 0.00300472/step, 2.19829 hours remaining, 207.281250 MB of memory in use. ENERGY: 2366200 698.8993 2080.3734 1933.8760 113.8240 -206010.5223 17610.5220 0.0000 0.0000 34031.7540 -149541.2737 297.2078 -183573.0277 -149440.0990 297.5535 -148.9849 -119.4509 556803.9838 -14.2415 -14.2324 PRESSURE: 2366400 -276.489 -153.32 109.467 -153.32 199.477 25.7304 109.469 25.7305 -169.677 GPRESSURE: 2366400 -203.359 -156.472 133.728 -138.411 173.347 46.2649 58.4916 -31.4878 -125.508 PRESSAVG: 2366400 15.0655 -12.5958 32.914 -12.5958 -1.24092 -2.7003 32.914 -2.70009 17.3302 GPRESSAVG: 2366400 15.3706 -12.2468 32.2713 -10.6371 -1.86786 -5.70684 32.5166 -0.581879 17.2575 TIMING: 2366400 CPU: 7048.36, 0.00297552/step Wall: 7048.36, 0.00297552/step, 2.17676 hours remaining, 207.281250 MB of memory in use. ENERGY: 2366400 732.2292 2101.3012 1981.0735 112.7082 -206290.4743 17697.1848 0.0000 0.0000 34341.8622 -149324.1153 299.9160 -183665.9775 -149226.3801 298.2988 -82.2298 -51.8403 557667.5740 10.3849 10.2534 PRESSURE: 2366600 1.02927 103.243 66.5139 103.244 63.6035 -43.2047 66.5149 -43.2048 155.841 GPRESSURE: 2366600 21.4819 90.9465 88.9247 1.368 113.44 28.1666 27.5426 -29.5599 182.938 PRESSAVG: 2366600 -4.37545 -14.3269 45.3864 -14.327 85.9829 21.3412 45.3864 21.3411 -17.2975 GPRESSAVG: 2366600 -4.35601 -13.8772 44.715 -14.2712 86.4355 23.0138 45.7408 19.956 -17.8343 TIMING: 2366600 CPU: 7048.95, 0.00298101/step Wall: 7048.95, 0.00298101/step, 2.18061 hours remaining, 207.281250 MB of memory in use. ENERGY: 2366600 747.6565 2096.7061 1961.1426 108.9384 -206362.7407 17944.7379 0.0000 0.0000 34178.8318 -149324.7274 298.4922 -183503.5591 -149229.5391 299.7494 73.4912 105.9533 556678.2056 21.4367 21.4150 PRESSURE: 2366800 94.0744 -31.2602 141.474 -31.2598 169.904 -58.2947 141.475 -58.2957 222.504 GPRESSURE: 2366800 150.622 -10.5246 219.986 40.2905 182.197 -30.1554 95.594 -42.5619 246.724 PRESSAVG: 2366800 -16.5317 33.6774 -15.6715 33.6774 -10.2804 -27.6073 -15.6715 -27.6072 11.5488 GPRESSAVG: 2366800 -16.2212 32.7061 -11.4492 34.1224 -10.3885 -29.3752 -18.9714 -27.7598 11.2679 TIMING: 2366800 CPU: 7049.55, 0.00300745/step Wall: 7049.55, 0.00300745/step, 2.19979 hours remaining, 207.281250 MB of memory in use. ENERGY: 2366800 764.3768 2080.2726 1994.9085 102.0838 -206561.1377 18192.6698 0.0000 0.0000 34172.4366 -149254.3896 298.4364 -183426.8263 -149162.3788 299.3374 162.1606 193.1811 558260.3549 -5.0878 -5.1139 PRESSURE: 2367000 -131.422 15.7874 -68.4515 15.7866 12.4964 47.8413 -68.4517 47.8415 -418.452 GPRESSURE: 2367000 -126.436 37.5425 -85.3947 71.8587 56.4739 -22.1446 -23.1044 40.4121 -366.624 PRESSAVG: 2367000 36.5568 -48.5302 -62.1961 -48.5302 -28.679 6.22993 -62.196 6.22977 -1.97452 GPRESSAVG: 2367000 35.2845 -47.6008 -64.4346 -50.2901 -28.6876 6.26877 -61.3979 6.48989 -0.557412 TIMING: 2367000 CPU: 7050.15, 0.00298698/step Wall: 7050.15, 0.00298698/step, 2.18464 hours remaining, 207.281250 MB of memory in use. ENERGY: 2367000 733.1096 2069.8283 1960.3513 105.0045 -206266.0013 17575.5410 0.0000 0.0000 34409.7313 -149412.4353 300.5087 -183822.1666 -149312.3843 298.9924 -179.1258 -145.5287 557099.0328 1.9678 2.0132 PRESSURE: 2367200 201.656 20.3997 30.6857 20.4 -300.02 52.6379 30.6861 52.639 142.794 GPRESSURE: 2367200 210.548 109.135 86.7595 -40.6256 -288.021 91.4723 -53.5115 110.339 199.35 PRESSAVG: 2367200 6.58095 36.663 -23.6331 36.6629 -72.2764 12.9824 -23.6331 12.9825 14.4573 GPRESSAVG: 2367200 8.35492 36.8023 -22.9837 37.5153 -73.4409 13.1136 -24.1117 14.0864 14.7115 TIMING: 2367200 CPU: 7050.75, 0.00298747/step Wall: 7050.75, 0.00298747/step, 2.18484 hours remaining, 207.281250 MB of memory in use. ENERGY: 2367200 809.6837 2066.7865 1958.1650 111.8859 -206410.9370 17885.6916 0.0000 0.0000 34300.2745 -149278.4497 299.5528 -183578.7242 -149185.2566 298.7700 14.8102 40.6256 558446.8085 -17.0794 -16.7915 PRESSURE: 2367400 -220.303 -105.695 -43.2678 -105.696 -53.5047 -202.312 -43.2683 -202.311 -146.749 GPRESSURE: 2367400 -130.429 -29.7642 -109.925 -56.5003 17.0277 -173.054 -41.9079 -255.029 -219.112 PRESSAVG: 2367400 -5.69442 -33.1321 1.72194 -33.1322 -31.7713 -5.05795 1.72201 -5.05796 32.3416 GPRESSAVG: 2367400 -6.89542 -31.4339 -0.58018 -34.2531 -30.8484 -3.50735 2.56993 -6.00548 32.1735 TIMING: 2367400 CPU: 7051.34, 0.00297963/step Wall: 7051.34, 0.00297963/step, 2.17894 hours remaining, 207.281250 MB of memory in use. ENERGY: 2367400 764.8323 2075.0931 1973.2578 111.7017 -206164.7478 17635.5409 0.0000 0.0000 34366.2295 -149238.0925 300.1288 -183604.3220 -149141.7525 300.1490 -140.1856 -110.8379 556769.6294 -1.7080 -1.8568 PRESSURE: 2367600 -103.338 -47.9556 -166.164 -47.9547 -88.2009 -196.746 -166.165 -196.746 -116.988 GPRESSURE: 2367600 -93.5697 -35.0726 -233.552 -82.3631 -82.0308 -182.109 -87.978 -219.112 -44.2433 PRESSAVG: 2367600 27.7374 -55.2219 -15.5105 -55.2219 -4.22423 -18.8498 -15.5105 -18.8498 -5.43586 GPRESSAVG: 2367600 27.5185 -58.7063 -15.1984 -53.3325 -3.7341 -18.9156 -13.1983 -19.8511 -6.25314 TIMING: 2367600 CPU: 7051.94, 0.00296077/step Wall: 7051.94, 0.00296077/step, 2.16498 hours remaining, 207.281250 MB of memory in use. ENERGY: 2367600 768.5998 2094.8938 1962.1483 114.1225 -205860.0114 17598.9251 0.0000 0.0000 34113.9803 -149207.3417 297.9259 -183321.3219 -149115.5269 299.2168 -102.8421 -73.2812 557580.5977 6.0258 5.8438 PRESSURE: 2367800 163.823 -49.9158 17.0107 -49.9155 10.8937 193.381 17.0121 193.381 -8.84768 GPRESSURE: 2367800 179.181 -90.7253 -21.7391 46.5273 49.6238 210.71 0.9437 170.728 38.0287 PRESSAVG: 2367800 1.29686 26.1749 -23.9085 26.1749 -17.7922 -3.20217 -23.9084 -3.20207 17.7862 GPRESSAVG: 2367800 0.855725 28.3637 -22.505 25.5172 -19.0298 -3.83581 -25.914 -1.65694 19.0548 TIMING: 2367800 CPU: 7052.53, 0.00296106/step Wall: 7052.53, 0.00296106/step, 2.16503 hours remaining, 207.281250 MB of memory in use. ENERGY: 2367800 770.5562 2078.1012 1952.4754 112.5119 -205826.6328 17750.8122 0.0000 0.0000 34246.4160 -148915.7599 299.0825 -183162.1759 -148818.8215 300.2221 55.2898 88.9446 558208.3881 0.4303 0.2936 PRESSURE: 2368000 -94.2956 -22.2222 79.1838 -22.2215 -58.5182 -175.094 79.1826 -175.097 -220.124 GPRESSURE: 2368000 -52.0085 -142.789 67.7331 50.3707 -78.6223 -197.335 82.6678 -230.664 -149.002 PRESSAVG: 2368000 -18.6332 36.9126 -3.74454 36.9126 -31.0215 0.314163 -3.74449 0.314256 50.2441 GPRESSAVG: 2368000 -17.7382 35.4021 -4.18036 39.547 -30.2068 1.24942 -4.69623 0.569285 48.9331 TIMING: 2368000 CPU: 7053.12, 0.00296915/step Wall: 7053.12, 0.00296915/step, 2.17078 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: 2368000 777.1320 2143.0560 1921.4579 107.7247 -205768.6380 17525.0921 0.0000 0.0000 34507.0359 -148787.1395 301.3585 -183294.1754 -148687.9321 300.5559 -124.3128 -93.2108 558223.0652 0.1965 0.3294 PRESSURE: 2368200 -230.601 126.396 78.4743 126.393 46.2594 61.1224 78.4746 61.122 116.375 GPRESSURE: 2368200 -171.41 139.806 65.9032 190.788 8.4067 20.8372 -4.4419 86.5046 198.162 PRESSAVG: 2368200 -34.1126 -22.5305 -42.5892 -22.5306 71.4867 53.5015 -42.5891 53.5015 12.0929 GPRESSAVG: 2368200 -36.0928 -22.1102 -43.2464 -22.8112 70.7418 52.2916 -41.4174 53.733 14.1954 TIMING: 2368200 CPU: 7053.72, 0.00297893/step Wall: 7053.72, 0.00297893/step, 2.17776 hours remaining, 207.281250 MB of memory in use. ENERGY: 2368200 722.7179 2050.1777 1951.5158 122.0755 -205751.9881 17745.6020 0.0000 0.0000 34101.1009 -149058.7983 297.8134 -183159.8992 -148959.5705 300.1561 -22.6553 11.7195 558468.1473 16.4890 16.2815 LDB: ============= START OF LOAD BALANCING ============== 7057.14 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7057.15 LDB: =============== DONE WITH MIGRATION ================ 7057.15 LDB: ============= START OF LOAD BALANCING ============== 7057.45 LDB: Largest compute 4849 load 0.025837 is 21.9% of average load 0.118081 LDB: Average compute 0.001705 is 1.4% of average load 0.118081 LDB: TIME 7057.45 LOAD: AVG 0.118081 MAX 0.203133 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 7057.45 LOAD: AVG 0.118081 MAX 0.203133 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 7057.45 LOAD: AVG 0.118081 MAX 0.203133 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: ============== END OF LOAD BALANCING =============== 7057.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7057.45 PRESSURE: 2368400 -258.624 -155.705 51.5378 -155.704 129.969 75.8222 51.537 75.823 -123.668 GPRESSURE: 2368400 -224.615 -121.374 -54.4472 -157.926 156.35 61.0365 76.562 27.4928 -92.7274 PRESSAVG: 2368400 28.6964 17.8346 45.293 17.8346 13.4917 53.5906 45.2931 53.5908 -52.6095 GPRESSAVG: 2368400 30.9466 16.5375 45.5279 17.8093 13.2173 54.0374 45.7704 54.0627 -55.049 TIMING: 2368400 CPU: 7054.32, 0.00303252/step Wall: 7054.32, 0.00303252/step, 2.21677 hours remaining, 206.453125 MB of memory in use. ENERGY: 2368400 768.1370 2090.1995 1928.6733 110.4878 -206038.1699 17798.7756 0.0000 0.0000 34174.2054 -149167.6913 298.4518 -183341.8967 -149065.3492 298.9914 -84.1076 -53.6643 558693.0000 -3.4738 -3.6284 PRESSURE: 2368600 -334.25 -85.5729 -127.789 -85.5742 119.354 36.2007 -127.789 36.1995 -406.69 GPRESSURE: 2368600 -302.655 -35.589 -151.498 -136.563 91.6283 -52.672 -82.0873 7.96161 -304.902 PRESSAVG: 2368600 -14.7932 24.8184 35.6902 24.8185 52.5276 17.7914 35.6902 17.7914 -58.1822 GPRESSAVG: 2368600 -15.4261 25.9841 34.8874 25.7552 53.2612 17.1399 36.1407 17.0042 -58.2971 TIMING: 2368600 CPU: 7054.91, 0.00295016/step Wall: 7054.91, 0.00295016/step, 2.1564 hours remaining, 206.914062 MB of memory in use. ENERGY: 2368600 752.2902 2061.9269 1952.9770 121.9310 -205875.8136 17562.2777 0.0000 0.0000 34361.0983 -149063.3125 300.0840 -183424.4108 -148965.9603 299.7047 -207.1953 -171.9763 558173.1602 -6.8159 -6.8207 PRESSURE: 2368800 57.2957 -35.711 -1.66211 -35.7119 -61.4879 -181.67 -1.66122 -181.671 -125.741 GPRESSURE: 2368800 -37.2937 -60.1252 78.3809 11.2601 26.9065 -164.454 8.9786 -102.926 -33.1397 PRESSAVG: 2368800 -68.2436 -3.18624 13.0255 -3.18622 23.2651 -22.4909 13.0255 -22.4908 10.7933 GPRESSAVG: 2368800 -69.7286 -1.72827 15.4386 -4.75987 24.5385 -21.6049 11.9075 -22.9915 10.9814 TIMING: 2368800 CPU: 7055.51, 0.00295483/step Wall: 7055.51, 0.00295483/step, 2.15965 hours remaining, 206.914062 MB of memory in use. ENERGY: 2368800 798.0992 2082.8073 1978.0773 115.3119 -206146.7964 17774.7684 0.0000 0.0000 34403.5701 -148994.1621 300.4549 -183397.7322 -148902.4502 300.2569 -43.3112 -14.5090 556954.8668 -11.3951 -11.4029 PRESSURE: 2369000 -37.7159 -87.8004 23.4408 -87.8015 -120.193 -94.0614 23.4407 -94.0603 101.361 GPRESSURE: 2369000 -55.6711 -42.0625 -79.1657 -52.9101 8.51449 -71.0257 62.4619 -143.167 90.8098 PRESSAVG: 2369000 19.7272 -23.6019 -39.9393 -23.602 36.2238 -5.78339 -39.9394 -5.78341 -42.3812 GPRESSAVG: 2369000 19.9452 -25.141 -43.5639 -23.2241 35.4846 -6.56362 -36.8884 -5.12983 -42.2594 TIMING: 2369000 CPU: 7056.1, 0.00297636/step Wall: 7056.1, 0.00297636/step, 2.17522 hours remaining, 206.914062 MB of memory in use. ENERGY: 2369000 768.1758 2095.3349 1953.8893 104.0676 -206169.5114 18028.1282 0.0000 0.0000 34214.0699 -149005.8456 298.8000 -183219.9155 -148911.1826 299.5804 -18.8492 14.5511 558675.7005 4.5233 4.3902 PRESSURE: 2369200 -122.717 45.1027 56.6186 45.1018 -174.782 -25.3618 56.6183 -25.3617 -138.069 GPRESSURE: 2369200 -78.4925 -55.9992 41.352 70.2119 -109.816 -142.546 69.5573 1.47394 -156.305 PRESSAVG: 2369200 -73.7677 -49.9925 7.81592 -49.9925 30.932 -74.7541 7.81603 -74.7541 -10.1722 GPRESSAVG: 2369200 -72.6749 -47.5448 8.52234 -51.5598 30.2616 -76.1191 6.00287 -76.2049 -10.2868 TIMING: 2369200 CPU: 7056.7, 0.00297538/step Wall: 7056.7, 0.00297538/step, 2.17434 hours remaining, 206.914062 MB of memory in use. ENERGY: 2369200 779.1164 2028.7188 1964.3018 100.5575 -205996.2467 17686.0120 0.0000 0.0000 34367.9287 -149069.6115 300.1437 -183437.5402 -148969.7927 300.0305 -145.1891 -114.8713 559589.2726 -17.6693 -17.5667 PRESSURE: 2369400 -62.4452 103.479 -4.38144 103.48 141.677 -143.292 -4.38111 -143.293 -53.1702 GPRESSURE: 2369400 -31.0577 88.5224 21.6649 127.212 110.253 -87.0883 31.8176 -156.79 27.8773 PRESSAVG: 2369400 -13.9506 -1.17885 7.4997 -1.17878 -40.1071 1.74368 7.49956 1.74361 1.37861 GPRESSAVG: 2369400 -13.2636 -3.24701 7.63767 -0.778829 -41.0226 2.36385 8.47694 4.32879 1.32549 TIMING: 2369400 CPU: 7057.29, 0.00297948/step Wall: 7057.29, 0.00297948/step, 2.17717 hours remaining, 206.914062 MB of memory in use. ENERGY: 2369400 756.4869 2020.0423 1938.6972 101.4834 -206088.4313 17842.6550 0.0000 0.0000 34381.1041 -149047.9623 300.2587 -183429.0664 -148943.2863 299.9941 8.6874 35.6908 557915.2260 -17.5597 -17.6536 PRESSURE: 2369600 -188.621 148.679 24.0022 148.679 -217.501 38.2617 24.002 38.2616 220.721 GPRESSURE: 2369600 -103.769 144.499 -30.5259 155.084 -163.602 20.344 -6.83677 45.7195 192.083 PRESSAVG: 2369600 46.3577 1.7026 5.03608 1.70263 -56.0923 17.5262 5.03607 17.5262 19.9315 GPRESSAVG: 2369600 45.9013 1.48561 4.26113 1.92335 -55.0628 18.5886 5.19528 16.4422 20.1985 TIMING: 2369600 CPU: 7057.89, 0.00298128/step Wall: 7057.89, 0.00298128/step, 2.17832 hours remaining, 206.914062 MB of memory in use. ENERGY: 2369600 781.4558 2078.6023 1939.9549 119.5786 -206043.8446 17664.5127 0.0000 0.0000 34387.6699 -149072.0704 300.3161 -183459.7403 -148969.0932 299.3524 -61.8001 -25.0957 557125.4923 3.3989 3.6790 PRESSURE: 2369800 45.49 -8.68836 57.9639 -8.68936 -158.479 82.585 57.965 82.5838 163.186 GPRESSURE: 2369800 68.5848 -101.853 63.3432 -27.5419 -86.9013 -1.63023 69.5227 114.151 149.581 PRESSAVG: 2369800 -39.9368 -28.3271 -26.633 -28.3272 -21.1432 32.9863 -26.633 32.9864 41.5444 GPRESSAVG: 2369800 -41.2659 -28.5628 -24.7569 -28.7845 -20.3255 31.9023 -28.0903 32.4236 41.733 TIMING: 2369800 CPU: 7058.48, 0.00298199/step Wall: 7058.48, 0.00298199/step, 2.17867 hours remaining, 206.914062 MB of memory in use. ENERGY: 2369800 773.5672 2066.4419 1990.0110 130.2724 -206195.5981 17861.9326 0.0000 0.0000 34324.3479 -149049.0251 299.7631 -183373.3730 -148957.2304 299.4737 16.7325 43.7549 556696.6517 -6.5119 -6.6195 PRESSURE: 2370000 116.803 -67.1056 -29.547 -67.1056 82.7931 -53.1934 -29.5495 -53.1928 191.338 GPRESSURE: 2370000 97.9186 -104.263 9.73669 2.22385 114.247 24.2859 5.19484 -112.853 258.801 PRESSAVG: 2370000 18.1628 -20.8845 -11.7012 -20.8845 -41.6805 3.70103 -11.701 3.70119 39.2815 GPRESSAVG: 2370000 18.6714 -20.0048 -13.2203 -20.9904 -42.0438 4.71641 -11.3212 6.46642 38.848 TIMING: 2370000 CPU: 7059.08, 0.00296197/step Wall: 7059.08, 0.00296197/step, 2.16388 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: 2370000 745.7046 2117.2630 1972.0832 109.3918 -206307.8619 18020.7800 0.0000 0.0000 34497.0892 -148845.5500 301.2717 -183342.6392 -148756.6877 300.0593 130.3113 156.9891 556621.3426 5.2546 5.1586 PRESSURE: 2370200 -79.7865 38.3508 -62.5634 38.3508 -76.8721 -14.7074 -62.5627 -14.7062 118.172 GPRESSURE: 2370200 -79.5376 42.8288 -119.952 82.6995 -25.4312 54.5323 -14.5126 -66.8392 166.473 PRESSAVG: 2370200 -45.7718 -38.4375 -22.1309 -38.4374 57.7769 -32.3188 -22.131 -32.3188 -34.3966 GPRESSAVG: 2370200 -45.6332 -38.071 -19.5605 -37.0608 57.7664 -32.2338 -22.497 -33.7077 -34.6477 TIMING: 2370200 CPU: 7059.67, 0.00297274/step Wall: 7059.67, 0.00297274/step, 2.17159 hours remaining, 206.914062 MB of memory in use. ENERGY: 2370200 742.2222 2147.0163 1968.7533 110.9255 -206191.7771 17752.2385 0.0000 0.0000 34487.2542 -148983.3671 301.1858 -183470.6212 -148892.5151 300.0051 -12.8288 20.5013 558063.1799 -7.4639 -7.5048 PRESSURE: 2370400 -197.144 -86.5249 -133.878 -86.5233 -198.587 -38.954 -133.878 -38.9543 50.7399 GPRESSURE: 2370400 -99.7475 -32.9489 -69.3006 -149.322 -203.301 -96.145 -193.721 -79.2334 47.7762 PRESSAVG: 2370400 8.91747 -18.3889 -19.1696 -18.389 8.55617 -29.7104 -19.1696 -29.7105 -38.5403 GPRESSAVG: 2370400 7.9355 -18.4139 -18.8211 -20.1542 8.78419 -30.6345 -17.4553 -31.4164 -37.9468 TIMING: 2370400 CPU: 7060.27, 0.00297234/step Wall: 7060.27, 0.00297234/step, 2.17113 hours remaining, 206.914062 MB of memory in use. ENERGY: 2370400 767.7508 2061.9384 1952.9485 117.8668 -206037.2054 17671.4685 0.0000 0.0000 34395.3645 -149069.8679 300.3833 -183465.2325 -148966.9832 299.7700 -114.9969 -85.0907 557930.7894 -7.0222 -7.0757 PRESSURE: 2370600 -244.736 -8.88577 -68.0955 -8.88568 51.5122 -80.3221 -68.095 -80.3223 -175.55 GPRESSURE: 2370600 -225.889 -135.192 -112.955 27.9799 85.398 -106.024 -30.4866 8.00159 -140.136 PRESSAVG: 2370600 47.5615 47.9948 -30.0517 47.9947 1.24867 -27.2469 -30.0517 -27.2468 -16.6855 GPRESSAVG: 2370600 48.0495 44.7643 -32.0594 50.1025 1.53787 -28.8212 -31.4049 -25.0922 -17.3814 TIMING: 2370600 CPU: 7060.86, 0.00296226/step Wall: 7060.86, 0.00296226/step, 2.1636 hours remaining, 206.914062 MB of memory in use. ENERGY: 2370600 767.4753 2139.6079 1957.9166 117.2963 -205628.7743 17490.8215 0.0000 0.0000 34257.5821 -148898.0747 299.1800 -183155.6568 -148803.8516 299.7451 -122.9244 -93.5422 558828.3838 10.7082 10.7353 PRESSURE: 2370800 97.9219 -73.5479 -28.9044 -73.549 108.44 66.6529 -28.904 66.6522 -99.6111 GPRESSURE: 2370800 154.028 -54.3439 -102.069 -12.5746 125.5 87.6965 -57.408 55.01 -81.6085 PRESSAVG: 2370800 -7.92134 4.22191 -32.1822 4.22187 12.1703 -34.1075 -32.1822 -34.1075 6.01499 GPRESSAVG: 2370800 -6.95138 7.09015 -32.6318 3.90839 11.7538 -33.5865 -31.312 -35.1542 5.25251 TIMING: 2370800 CPU: 7061.46, 0.00299726/step Wall: 7061.46, 0.00299726/step, 2.189 hours remaining, 206.914062 MB of memory in use. ENERGY: 2370800 727.0554 2099.9879 1978.6886 121.0099 -206077.6305 17871.4278 0.0000 0.0000 34099.8991 -149179.5619 297.8029 -183279.4610 -149086.0771 299.6477 35.5835 65.9729 558207.9911 3.4213 3.3516 PRESSURE: 2371000 -207.511 49.5959 -65.4252 49.5966 -147.834 -111.266 -65.4256 -111.267 -140.201 GPRESSURE: 2371000 -196.696 114.987 -58.4346 -19.1641 -114.996 -97.463 -43.7937 -51.4471 -96.9441 PRESSAVG: 2371000 21.0396 17.4647 -2.31257 17.4646 -24.2065 -15.1023 -2.31249 -15.1022 37.3016 GPRESSAVG: 2371000 21.4002 18.6425 -2.29329 15.6045 -23.518 -14.5044 -2.05015 -15.2721 36.8049 TIMING: 2371000 CPU: 7062.06, 0.00298794/step Wall: 7062.06, 0.00298794/step, 2.18203 hours remaining, 206.980469 MB of memory in use. ENERGY: 2371000 754.5100 2134.1663 1938.4148 115.4005 -205873.0258 17588.6395 0.0000 0.0000 34189.9947 -149151.8999 298.5897 -183341.8947 -149053.0257 298.7251 -165.1818 -136.2119 559367.0108 11.3782 11.5624 PRESSURE: 2371200 -34.9463 -247.763 97.1442 -247.763 187.333 28.7985 97.1453 28.7983 -299.032 GPRESSURE: 2371200 -20.7448 -273.002 269.611 -145.587 236.05 -62.1019 66.4894 147.429 -264.077 PRESSAVG: 2371200 18.6782 10.8005 35.7467 10.8004 38.9716 -48.2286 35.7467 -48.2287 -15.0789 GPRESSAVG: 2371200 18.6927 8.20127 35.8161 11.6576 37.8087 -46.6522 35.0955 -47.5533 -13.705 TIMING: 2371200 CPU: 7062.65, 0.00299379/step Wall: 7062.65, 0.00299379/step, 2.18613 hours remaining, 206.980469 MB of memory in use. ENERGY: 2371200 751.8844 2097.4387 1939.1771 119.8490 -206515.2698 17972.5546 0.0000 0.0000 34343.1220 -149291.2441 299.9270 -183634.3661 -149191.7983 298.8242 -48.8818 -16.2573 559524.4013 14.1903 14.2655 PRESSURE: 2371400 -112.354 91.6752 2.57905 91.676 -42.2134 33.1325 2.57997 33.1324 -111.422 GPRESSURE: 2371400 -111.444 106.374 -48.6349 114.978 18.5925 63.2672 36.1495 5.43575 -82.0983 PRESSAVG: 2371400 -20.2412 -18.2681 17.0862 -18.2679 23.6014 23.6514 17.0863 23.6513 -13.8785 GPRESSAVG: 2371400 -20.7477 -18.71 16.2109 -18.6679 23.9344 23.3447 18.4579 23.2868 -13.1808 TIMING: 2371400 CPU: 7063.26, 0.00301419/step Wall: 7063.26, 0.00301419/step, 2.20086 hours remaining, 206.980469 MB of memory in use. ENERGY: 2371400 758.6562 2073.4906 1961.5680 116.0142 -205952.5691 17598.8326 0.0000 0.0000 34156.2234 -149287.7841 298.2948 -183444.0075 -149184.0629 299.0886 -88.6631 -58.3166 557855.9075 -3.5061 -3.3313 PRESSURE: 2371600 -67.7946 34.4281 6.87215 34.4266 -199.238 -179.47 6.87184 -179.47 47.948 GPRESSURE: 2371600 -50.9141 -45.6467 41.3903 66.9939 -174.615 -310.888 0.790978 -143.302 97.4187 PRESSAVG: 2371600 -24.9697 -57.8337 14.6675 -57.8336 19.0567 -5.61852 14.6675 -5.61847 -12.605 GPRESSAVG: 2371600 -24.0234 -56.7305 14.1149 -56.1432 18.7759 -6.64995 14.3812 -5.50637 -13.2276 TIMING: 2371600 CPU: 7063.85, 0.00298903/step Wall: 7063.85, 0.00298903/step, 2.18233 hours remaining, 206.980469 MB of memory in use. ENERGY: 2371600 746.2745 2002.4925 1967.2317 113.6289 -206003.3620 17658.2334 0.0000 0.0000 34340.4630 -149175.0380 299.9038 -183515.5010 -149075.3524 298.4467 -73.0282 -42.7033 556482.9719 -6.1727 -6.1584 PRESSURE: 2371800 -105.3 -194.84 70.3059 -194.84 164.696 95.5043 70.3036 95.5032 -117.638 GPRESSURE: 2371800 -19.6696 -153.212 113.714 -111.235 185.678 54.7382 -6.58485 87.6898 -130.763 PRESSAVG: 2371800 -59.0191 -30.3133 -30.6354 -30.3134 -28.9799 -12.1698 -30.6353 -12.1698 85.1659 GPRESSAVG: 2371800 -59.1242 -28.6496 -28.9919 -32.0381 -28.0761 -12.1069 -32.5704 -13.2476 84.562 TIMING: 2371800 CPU: 7064.45, 0.00299685/step Wall: 7064.45, 0.00299685/step, 2.18787 hours remaining, 206.980469 MB of memory in use. ENERGY: 2371800 751.7733 2063.4665 1928.7835 109.7165 -205923.6077 17756.3446 0.0000 0.0000 34349.8906 -148963.6328 299.9861 -183313.5233 -148870.8499 300.3651 -19.4142 11.7485 557039.6862 -0.9444 -0.8794 PRESSURE: 2372000 7.8951 -133.955 40.8753 -133.954 -254.407 34.3871 40.8757 34.3873 -103.393 GPRESSURE: 2372000 34.6614 -196.321 -59.3465 -110.029 -212.988 131.789 -53.7636 18.151 -75.8237 PRESSAVG: 2372000 23.9108 -10.3973 26.3136 -10.3972 30.3926 5.56039 26.3136 5.56053 -3.88562 GPRESSAVG: 2372000 24.0363 -11.9921 25.8634 -10.3807 29.3507 5.31884 24.9498 6.38251 -3.57241 TIMING: 2372000 CPU: 7065.05, 0.00297753/step Wall: 7065.05, 0.00297753/step, 2.1736 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: 2372000 747.6433 2133.8459 1940.0022 107.8000 -205853.1818 17572.6326 0.0000 0.0000 34189.1832 -149162.0747 298.5826 -183351.2578 -149061.2005 300.3075 -116.6349 -84.7168 556407.8832 16.8059 16.6049 PRESSURE: 2372200 3.02976 -59.8847 109.44 -59.8849 59.2169 -28.6553 109.442 -28.6554 -47.6489 GPRESSURE: 2372200 -11.3817 -55.8679 108.229 -69.0116 92.2478 29.4713 23.8052 -10.7706 28.6114 PRESSAVG: 2372200 4.70924 -32.6801 -10.4684 -32.6801 -50.1579 19.1129 -10.4683 19.1129 65.8043 GPRESSAVG: 2372200 3.86637 -32.5317 -11.8848 -32.3241 -50.3758 19.8772 -7.09537 17.0852 66.7319 TIMING: 2372200 CPU: 7065.64, 0.00297577/step Wall: 7065.64, 0.00297577/step, 2.17214 hours remaining, 206.980469 MB of memory in use. ENERGY: 2372200 747.2175 2077.0696 1940.9526 108.4123 -205689.8833 17533.5946 0.0000 0.0000 34060.9807 -149221.6561 297.4630 -183282.6368 -149127.8699 299.4307 4.8659 36.4925 556957.9361 6.7852 6.7408 LDB: ============= START OF LOAD BALANCING ============== 7069.07 LDB: ============== END OF LOAD BALANCING =============== 7069.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7069.07 LDB: ============= START OF LOAD BALANCING ============== 7069.38 LDB: Largest compute 4847 load 0.027467 is 23.3% of average load 0.118127 LDB: Average compute 0.001710 is 1.4% of average load 0.118127 LDB: TIME 7069.38 LOAD: AVG 0.118127 MAX 0.203412 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 7069.38 LOAD: AVG 0.118127 MAX 0.203412 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.551 MB LDB: TIME 7069.38 LOAD: AVG 0.118127 MAX 0.203412 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.551 MB LDB: ============== END OF LOAD BALANCING =============== 7069.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7069.38 PRESSURE: 2372400 290.327 16.2166 212.388 16.2166 231.041 -130.565 212.388 -130.566 291.598 GPRESSURE: 2372400 322.609 28.0383 204.835 19.9549 299.39 -182.114 234.801 -33.0645 301.42 PRESSAVG: 2372400 -39.5908 -26.2952 -55.7376 -26.2953 1.18565 -20.8808 -55.7376 -20.8808 31.2476 GPRESSAVG: 2372400 -38.84 -25.4267 -53.8055 -27.3544 2.30559 -21.0987 -58.3312 -20.1248 30.324 TIMING: 2372400 CPU: 7066.25, 0.00305039/step Wall: 7066.25, 0.00305039/step, 2.22644 hours remaining, 206.968750 MB of memory in use. ENERGY: 2372400 747.0409 2026.6030 1929.6285 118.4701 -206613.1141 18180.0371 0.0000 0.0000 34203.9938 -149407.3406 298.7120 -183611.3345 -149307.9327 299.2982 270.9884 307.8066 557673.4699 -2.3858 -2.0701 PRESSURE: 2372600 -7.70211 92.6016 88.5479 92.6021 167.947 -172.215 88.5477 -172.215 -106.848 GPRESSURE: 2372600 -5.58537 62.1017 57.0769 180.671 208.857 -169.209 127.691 -38.4969 -60.0271 PRESSAVG: 2372600 -0.338016 -13.0668 -4.4832 -13.0669 87.5887 -45.07 -4.48324 -45.0699 -19.3742 GPRESSAVG: 2372600 -0.514339 -14.0837 -7.01719 -12.4791 87.0282 -45.283 -2.65486 -44.7673 -18.8035 TIMING: 2372600 CPU: 7066.85, 0.00299179/step Wall: 7066.85, 0.00299179/step, 2.18351 hours remaining, 206.968750 MB of memory in use. ENERGY: 2372600 754.1981 2060.3963 1959.4937 114.3378 -206548.0262 17915.8812 0.0000 0.0000 34384.4499 -149359.2692 300.2880 -183743.7191 -149260.8082 299.2298 17.7989 47.7481 557812.6785 22.6255 22.5701 PRESSURE: 2372800 -129.637 158.719 34.352 158.718 -22.6727 78.8701 34.3525 78.8712 39.8261 GPRESSURE: 2372800 -49.053 82.8561 -64.5028 138.209 -30.5548 -4.67978 158.944 159.607 68.0407 PRESSAVG: 2372800 -64.6307 -16.3466 9.93176 -16.3465 49.3264 29.9929 9.93174 29.9928 6.08497 GPRESSAVG: 2372800 -65.1253 -16.9368 12.9677 -16.8945 49.548 30.7279 7.72192 29.6263 5.90787 TIMING: 2372800 CPU: 7067.45, 0.00297447/step Wall: 7067.45, 0.00297447/step, 2.1707 hours remaining, 206.968750 MB of memory in use. ENERGY: 2372800 738.9324 2121.6537 1945.5707 124.7154 -206471.7338 17818.5252 0.0000 0.0000 34255.0397 -149467.2967 299.1578 -183722.3364 -149368.2403 298.4546 -37.4947 -3.8557 558199.0317 -3.0731 -3.2231 PRESSURE: 2373000 176.213 -39.5185 132.571 -39.517 59.4363 -192.539 132.571 -192.537 17.8775 GPRESSURE: 2373000 170.817 -5.97592 25.9995 -52.9857 103.133 -198.327 148.19 -177.678 77.6876 PRESSAVG: 2373000 -73.4542 21.4646 -54.6838 21.4647 64.6389 31.6519 -54.6838 31.652 45.069 GPRESSAVG: 2373000 -72.8725 23.1484 -55.6507 21.5644 62.9803 29.8274 -53.8242 32.9729 45.7454 TIMING: 2373000 CPU: 7068.04, 0.00295691/step Wall: 7068.04, 0.00295691/step, 2.15772 hours remaining, 206.968750 MB of memory in use. ENERGY: 2373000 766.3271 2144.8553 1973.4432 114.6283 -206631.1494 18031.7223 0.0000 0.0000 34088.4847 -149511.6884 297.7032 -183600.1731 -149415.6918 298.7515 84.5091 117.2126 557283.6974 12.0846 11.9511 PRESSURE: 2373200 45.7582 61.2433 131.275 61.2433 93.9031 -215.462 131.274 -215.462 30.6976 GPRESSURE: 2373200 83.563 -31.6648 157.683 124.12 138.514 -91.5658 42.2128 -184.031 45.7945 PRESSAVG: 2373200 -51.1397 7.19282 -11.4631 7.19283 -25.6572 -22.9085 -11.4631 -22.9084 55.1586 GPRESSAVG: 2373200 -51.246 5.79814 -10.5377 7.38216 -24.7424 -19.7379 -10.9515 -23.8203 54.5026 TIMING: 2373200 CPU: 7068.64, 0.00298146/step Wall: 7068.64, 0.00298146/step, 2.17547 hours remaining, 206.968750 MB of memory in use. ENERGY: 2373200 763.9185 2122.2240 1959.5904 125.3690 -206547.7363 17995.2639 0.0000 0.0000 34407.5114 -149173.8590 300.4894 -183581.3704 -149080.6479 298.6379 56.7863 89.2905 557962.6642 -7.2128 -7.1619 PRESSURE: 2373400 -57.8857 -41.3229 39.4119 -41.324 273.289 -109.71 39.4119 -109.709 267.38 GPRESSURE: 2373400 -19.6922 -129.675 -79.8887 45.0333 286.425 -82.5945 158.486 -110.862 303.191 PRESSAVG: 2373400 4.51256 30.5934 7.87065 30.5933 -40.73 13.0297 7.87058 13.0296 65.0596 GPRESSAVG: 2373400 4.13549 28.404 5.96669 30.295 -40.5415 12.1138 7.6211 12.0215 64.6156 TIMING: 2373400 CPU: 7069.23, 0.0029838/step Wall: 7069.23, 0.0029838/step, 2.17701 hours remaining, 206.968750 MB of memory in use. ENERGY: 2373400 734.7849 2102.9854 1936.8000 115.4877 -206353.9199 17944.7592 0.0000 0.0000 34158.5485 -149360.5541 298.3151 -183519.1026 -149256.3672 299.1085 160.9278 189.9746 557907.7680 9.6140 9.4032 PRESSURE: 2373600 187.591 -26.9749 -233.341 -26.9754 -86.82 161.275 -233.341 161.275 -156.778 GPRESSURE: 2373600 206.842 -54.6643 -315.339 -18.308 -60.758 159.236 -209.773 177.494 -107.074 PRESSAVG: 2373600 16.2635 37.5906 -57.8065 37.5906 -80.3338 5.75139 -57.8065 5.75146 51.0399 GPRESSAVG: 2373600 17.1246 37.3182 -57.0315 39.0386 -80.9126 6.66068 -56.3154 6.04402 50.8738 TIMING: 2373600 CPU: 7069.82, 0.00295963/step Wall: 7069.82, 0.00295963/step, 2.15921 hours remaining, 206.968750 MB of memory in use. ENERGY: 2373600 745.0285 2123.3726 1946.4722 121.7329 -206004.9992 17711.3354 0.0000 0.0000 34251.9010 -149105.1567 299.1304 -183357.0577 -149002.1153 298.5050 -18.6691 13.0035 557807.7906 -4.3434 -4.3048 PRESSURE: 2373800 82.1743 145.868 20.8598 145.868 350.809 -33.9068 20.8578 -33.9088 55.3835 GPRESSURE: 2373800 134.387 110.105 13.0211 217.314 376.591 -123.614 9.8561 -57.6976 79.863 PRESSAVG: 2373800 36.1088 43.7007 -16.9572 43.7007 -66.7559 -4.6175 -16.9571 -4.61744 -4.54663 GPRESSAVG: 2373800 35.4441 45.4523 -18.7785 43.2829 -66.4079 -4.85591 -18.4026 -6.19813 -4.17572 TIMING: 2373800 CPU: 7070.42, 0.00297132/step Wall: 7070.42, 0.00297132/step, 2.16758 hours remaining, 206.968750 MB of memory in use. ENERGY: 2373800 696.4004 2082.4421 1943.4334 114.2726 -206050.3224 17950.3623 0.0000 0.0000 34256.3954 -149007.0162 299.1696 -183263.4116 -148909.0389 299.4403 162.7890 196.9470 558196.2127 -11.7312 -11.7132 PRESSURE: 2374000 151.954 69.8605 156.315 69.8593 -211.858 -194.647 156.314 -194.647 188.645 GPRESSURE: 2374000 191.451 47.2122 209.86 38.9352 -205.524 -230.885 141.021 -147.12 242.031 PRESSAVG: 2374000 19.0241 -58.7571 43.0734 -58.7571 -68.9848 -48.6352 43.0734 -48.6352 55.1865 GPRESSAVG: 2374000 18.8358 -57.6458 46.8001 -59.74 -68.2577 -50.603 41.2088 -45.3419 54.7075 TIMING: 2374000 CPU: 7071.01, 0.00297745/step Wall: 7071.01, 0.00297745/step, 2.17189 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: 2374000 704.2335 2111.0544 1937.6703 126.4368 -205969.8871 17860.4306 0.0000 0.0000 34318.5536 -148911.5079 299.7125 -183230.0615 -148808.8975 299.7847 42.9138 75.9860 558540.8397 1.7419 1.7619 PRESSURE: 2374200 -313.414 -206.747 -26.932 -206.747 -264.334 -75.896 -26.9307 -75.8955 50.054 GPRESSURE: 2374200 -211.322 -178.267 18.9724 -298.366 -249.12 -66.9662 6.08353 -114.829 39.6459 PRESSAVG: 2374200 45.9787 -87.1433 3.72785 -87.1433 -100.771 -34.6093 3.72791 -34.6092 40.8311 GPRESSAVG: 2374200 45.6083 -87.6771 0.357101 -87.2031 -99.4557 -33.2837 6.52599 -36.901 40.321 TIMING: 2374200 CPU: 7071.6, 0.00295308/step Wall: 7071.6, 0.00295308/step, 2.15394 hours remaining, 206.968750 MB of memory in use. ENERGY: 2374200 742.8721 2130.2528 1931.7051 107.5558 -205906.0329 17609.3788 0.0000 0.0000 34313.2261 -149071.0422 299.6659 -183384.2683 -148976.9114 299.1414 -175.8981 -140.2655 559546.4598 -4.6536 -4.5088 PRESSURE: 2374400 -103.535 34.9113 -99.761 34.9127 -68.3389 -53.2199 -99.7607 -53.2201 -156.631 GPRESSURE: 2374400 -59.6536 0.194421 -109.044 -29.7128 -107.194 -133.246 -70.9682 -28.865 -57.4548 PRESSAVG: 2374400 -6.01491 -84.3218 25.739 -84.3217 -35.6873 -5.63826 25.739 -5.6382 44.6254 GPRESSAVG: 2374400 -4.53088 -84.5686 28.6309 -85.5888 -37.7691 -5.23146 24.4707 -5.14632 45.6847 TIMING: 2374400 CPU: 7072.2, 0.00296266/step Wall: 7072.2, 0.00296266/step, 2.16076 hours remaining, 206.968750 MB of memory in use. ENERGY: 2374400 774.3900 2074.4728 1936.4268 121.9185 -206204.6440 17817.3998 0.0000 0.0000 34363.8550 -149116.1811 300.1081 -183480.0361 -149011.1573 298.9750 -109.5016 -74.7674 557947.8902 0.9744 1.1282 PRESSURE: 2374600 -208.509 -54.5611 -94.6148 -54.5612 -326.808 -39.3881 -94.616 -39.3882 -172.499 GPRESSURE: 2374600 -150.988 9.57683 -102.109 -37.8706 -268.005 -144 -69.7473 -38.7248 -189.83 PRESSAVG: 2374600 28.9006 51.4 -16.2835 51.4 -27.0357 -15.6398 -16.2834 -15.6399 39.0597 GPRESSAVG: 2374600 28.8822 50.9793 -16.1309 52.5962 -26.8142 -15.5741 -17.7744 -17.0646 39.4027 TIMING: 2374600 CPU: 7072.79, 0.00297922/step Wall: 7072.79, 0.00297922/step, 2.17268 hours remaining, 206.968750 MB of memory in use. ENERGY: 2374600 745.6531 2144.4691 1948.3675 118.4089 -205652.9386 17419.0288 0.0000 0.0000 34107.8882 -149169.1230 297.8727 -183277.0112 -149073.3379 299.2332 -235.9386 -202.9408 558401.5793 13.6416 13.8236 PRESSURE: 2374800 11.3143 -188.694 -14.4862 -188.693 39.2019 -212.325 -14.4843 -212.324 -167.776 GPRESSURE: 2374800 25.6713 -110.153 -6.50765 -239.167 12.7225 -235.654 -18.8783 -255.039 -76.4104 PRESSAVG: 2374800 51.7414 -8.10304 32.6358 -8.10298 -20.9571 38.6793 32.6358 38.6792 6.98019 GPRESSAVG: 2374800 50.7612 -7.29155 30.8642 -9.28354 -19.7988 36.9406 34.4453 40.2409 6.97929 TIMING: 2374800 CPU: 7073.4, 0.00301246/step Wall: 7073.4, 0.00301246/step, 2.19675 hours remaining, 206.968750 MB of memory in use. ENERGY: 2374800 749.2667 2144.8894 1929.2369 124.0617 -205741.3038 17475.8067 0.0000 0.0000 34218.2244 -149099.8179 298.8363 -183318.0424 -149004.1501 299.3876 -39.0867 -12.6722 556414.4567 12.5881 12.6472 PRESSURE: 2375000 159.815 44.2358 -90.6611 44.2372 247.263 -154.856 -90.6619 -154.857 -75.9538 GPRESSURE: 2375000 208.505 20.4386 -76.5433 -26.3788 226.953 -166.831 -18.9196 -114.241 -12.5036 PRESSAVG: 2375000 43.9765 -0.384642 -36.5795 -0.384682 -22.7965 -18.7794 -36.5796 -18.7794 -99.951 GPRESSAVG: 2375000 44.5471 -1.02321 -35.5203 0.347234 -23.5491 -19.4208 -37.2244 -17.0757 -99.7494 TIMING: 2375000 CPU: 7073.99, 0.00298619/step Wall: 7073.99, 0.00298619/step, 2.17743 hours remaining, 206.968750 MB of memory in use. ENERGY: 2375000 734.0573 2121.9890 1933.6521 119.4393 -206112.8047 17768.7763 0.0000 0.0000 34396.8502 -149038.0406 300.3962 -183434.8908 -148934.2216 300.0131 110.3747 140.9847 556282.6441 -26.2570 -26.2505 PRESSURE: 2375200 314.079 8.35999 -21.65 8.36251 230.773 224.504 -21.6504 224.504 398.18 GPRESSURE: 2375200 321.306 -39.7289 -41.9838 2.72688 317.044 207.047 3.19221 181.674 391.682 PRESSAVG: 2375200 -3.60062 45.578 -1.13746 45.578 9.21915 7.13694 -1.13759 7.13686 28.1764 GPRESSAVG: 2375200 -3.89775 46.0779 -0.848194 46.0625 11.0925 6.89622 -0.492262 5.68535 26.4871 TIMING: 2375200 CPU: 7074.59, 0.0029891/step Wall: 7074.59, 0.0029891/step, 2.17939 hours remaining, 206.968750 MB of memory in use. ENERGY: 2375200 754.2391 2095.3170 1949.3820 121.6012 -206679.0102 18328.9698 0.0000 0.0000 34305.7648 -149123.7364 299.6008 -183429.5011 -149021.2763 299.7547 314.3443 343.3440 555180.1713 11.2650 11.2273 PRESSURE: 2375400 -187.905 -48.6901 122.556 -48.6903 96.0571 15.8939 122.554 15.8926 -160.524 GPRESSURE: 2375400 -94.8231 -13.5666 110.398 14.5751 47.1288 -24.4875 51.6721 77.691 -102.377 PRESSAVG: 2375400 50.7353 -11.878 40.016 -11.878 -32.0004 -4.16596 40.0161 -4.16594 6.27477 GPRESSAVG: 2375400 49.3485 -13.7379 41.5974 -10.6905 -33.0409 -4.24108 39.6092 -2.74271 8.96378 TIMING: 2375400 CPU: 7075.19, 0.00300642/step Wall: 7075.19, 0.00300642/step, 2.19185 hours remaining, 206.968750 MB of memory in use. ENERGY: 2375400 760.6348 2157.5577 1959.7788 104.4908 -206239.9703 17800.4805 0.0000 0.0000 34183.2096 -149273.8182 298.5305 -183457.0278 -149182.7834 299.7831 -84.1239 -50.0237 558180.6898 8.3365 8.4238 PRESSURE: 2375600 13.7803 -22.3252 -45.5921 -22.3231 67.8937 4.42104 -45.5909 4.42089 3.82267 GPRESSURE: 2375600 -9.98215 68.8494 -88.7723 -13.3863 96.0682 -26.3242 -47.0541 34.8196 90.2282 PRESSAVG: 2375600 24.4502 37.888 59.9641 37.888 -26.2636 -24.9329 59.9641 -24.9329 -12.2813 GPRESSAVG: 2375600 24.5137 40.502 58.7476 37.2946 -25.5373 -24.0838 59.8247 -25.3411 -12.307 TIMING: 2375600 CPU: 7075.79, 0.0029757/step Wall: 7075.79, 0.0029757/step, 2.16929 hours remaining, 206.968750 MB of memory in use. ENERGY: 2375600 746.7598 2129.3931 1940.2600 119.6094 -206051.3816 17822.0451 0.0000 0.0000 34169.6589 -149123.6553 298.4121 -183293.3142 -149026.2465 300.0097 28.4989 58.7714 560058.4246 -4.6982 -4.4435 PRESSURE: 2375800 98.3003 -45.2511 -20.7741 -45.251 -125.943 -136.441 -20.7741 -136.442 53.4937 GPRESSURE: 2375800 90.9677 -34.849 -1.8501 -20.0612 -91.4686 -104.53 -33.5778 -74.7515 122.367 PRESSAVG: 2375800 -13.7096 67.9526 23.1961 67.9526 0.213417 5.98954 23.1961 5.98948 16.0492 GPRESSAVG: 2375800 -12.9006 69.4605 22.4858 66.5887 -0.257487 7.47399 24.5415 3.76008 15.2117 TIMING: 2375800 CPU: 7076.38, 0.00298375/step Wall: 7076.38, 0.00298375/step, 2.17499 hours remaining, 206.968750 MB of memory in use. ENERGY: 2375800 759.4681 2127.4151 1935.3307 113.2641 -206308.7516 17828.8997 0.0000 0.0000 34291.5116 -149252.8623 299.4763 -183544.3740 -149161.5010 299.3323 8.6168 40.6221 557171.4890 0.8510 0.6845 PRESSURE: 2376000 198.864 142.121 6.68695 142.121 51.3344 -64.8386 6.6876 -64.8393 -95.5839 GPRESSURE: 2376000 201.994 128.041 32.8601 257.222 190.413 -10.8486 5.14464 -88.1735 -136.571 PRESSAVG: 2376000 4.55948 72.4472 18.0055 72.447 -0.232638 13.0939 18.0055 13.0939 -27.372 GPRESSAVG: 2376000 4.8852 70.8127 18.5658 72.4801 -0.625572 11.0766 17.513 16.0888 -26.9025 TIMING: 2376000 CPU: 7076.98, 0.00297054/step Wall: 7076.98, 0.00297054/step, 2.1652 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: 2376000 725.1210 2112.1159 1914.2499 103.5787 -206326.5693 17801.6504 0.0000 0.0000 34244.1862 -149425.6672 299.0630 -183669.8534 -149329.9021 299.4474 51.5383 85.2786 556284.7391 -7.6817 -7.5476 PRESSURE: 2376200 208.045 -68.7448 -132.201 -68.7435 -261.411 -8.0375 -132.2 -8.03895 166.665 GPRESSURE: 2376200 221.58 -8.44921 -126.43 -161.295 -221.131 47.9346 -82.0796 2.98617 192.363 PRESSAVG: 2376200 28.6528 -61.5626 -16.1615 -61.5626 -44.995 25.5289 -16.1614 25.5289 49.3243 GPRESSAVG: 2376200 28.7251 -61.1963 -15.9175 -62.7169 -44.3622 25.6225 -17.1624 22.4871 48.5927 TIMING: 2376200 CPU: 7077.57, 0.00297529/step Wall: 7077.57, 0.00297529/step, 2.16849 hours remaining, 206.968750 MB of memory in use. ENERGY: 2376200 757.7025 2064.2594 1911.0508 121.2563 -206722.3450 17994.4502 0.0000 0.0000 34297.1709 -149576.4549 299.5257 -183873.6258 -149473.3964 298.8547 37.7663 64.2708 556653.4476 10.9940 10.9852 LDB: ============= START OF LOAD BALANCING ============== 7081 LDB: ============== END OF LOAD BALANCING =============== 7081 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7081.01 LDB: ============= START OF LOAD BALANCING ============== 7081.31 LDB: Largest compute 4849 load 0.027372 is 23.2% of average load 0.118073 LDB: Average compute 0.001712 is 1.5% of average load 0.118073 LDB: TIME 7081.31 LOAD: AVG 0.118073 MAX 0.205331 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.445 MB LDB: TIME 7081.31 LOAD: AVG 0.118073 MAX 0.205331 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.445 MB LDB: TIME 7081.31 LOAD: AVG 0.118073 MAX 0.205331 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.445 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7081.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7081.32 PRESSURE: 2376400 -339.642 159.994 -103.662 159.995 -67.6607 23.7542 -103.662 23.7558 -91.8115 GPRESSURE: 2376400 -347.471 109.575 -138.96 215.541 -29.8686 35.662 -72.3643 -62.1534 -25.2587 PRESSAVG: 2376400 -12.3531 7.43704 -2.94862 7.43693 18.0135 48.0431 -2.94866 48.0431 -14.4979 GPRESSAVG: 2376400 -13.352 5.15533 -3.39558 10.9827 17.5308 49.0487 -2.13098 49.1115 -13.3325 TIMING: 2376400 CPU: 7078.19, 0.00306563/step Wall: 7078.19, 0.00306563/step, 2.23416 hours remaining, 205.492188 MB of memory in use. ENERGY: 2376400 738.9132 2130.5740 1957.0987 111.8049 -205966.6373 17420.5799 0.0000 0.0000 34017.4037 -149590.2629 297.0824 -183607.6667 -149491.1670 298.9298 -166.3714 -134.1995 557187.0130 -2.9458 -3.0512 PRESSURE: 2376600 -155.806 117.222 -86.4857 117.221 -287.082 -22.6775 -86.4863 -22.6784 -104.236 GPRESSURE: 2376600 -125.106 128.217 -100.797 88.9619 -179.581 -37.3307 -65.86 -22.8516 -147.013 PRESSAVG: 2376600 -15.1367 -2.83332 -7.72228 -2.83345 2.33235 -3.93802 -7.72232 -3.938 26.1785 GPRESSAVG: 2376600 -13.6497 -1.44405 -9.58251 -3.21342 2.00513 -4.36509 -6.63622 -3.12301 25.4102 TIMING: 2376600 CPU: 7078.78, 0.00298708/step Wall: 7078.78, 0.00298708/step, 2.17675 hours remaining, 205.492188 MB of memory in use. ENERGY: 2376600 757.1774 2132.9953 1917.2900 123.6090 -206315.1597 17700.2964 0.0000 0.0000 34042.0380 -149641.7536 297.2976 -183683.7916 -149557.0938 298.0916 -182.3747 -150.5668 556839.3221 4.4580 4.5886 PRESSURE: 2376800 -226.216 -146.316 37.639 -146.318 211.086 -157.6 37.6391 -157.598 -186.219 GPRESSURE: 2376800 -166.105 -218.051 73.6038 -139.412 288.917 -126.18 -11.6037 -100.805 -223.89 PRESSAVG: 2376800 19.9838 -14.3883 -1.12849 -14.3883 -42.4833 -2.11758 -1.12845 -2.1175 5.25918 GPRESSAVG: 2376800 18.2754 -15.3848 0.0377702 -15.0066 -40.5566 -3.7813 -1.15154 -1.64392 4.77052 TIMING: 2376800 CPU: 7079.38, 0.00300607/step Wall: 7079.38, 0.00300607/step, 2.19042 hours remaining, 205.492188 MB of memory in use. ENERGY: 2376800 745.6249 2079.1324 1956.0990 112.8385 -206225.9204 17664.5958 0.0000 0.0000 33923.9081 -149743.7217 296.2659 -183667.6298 -149656.8790 297.3444 -67.1165 -33.6927 557665.0853 -5.7468 -5.8369 PRESSURE: 2377000 -30.5568 17.9274 54.157 17.9284 -261.192 120.442 54.1569 120.441 -84.0191 GPRESSURE: 2377000 29.501 11.1803 -14.2618 -17.6734 -282.729 132.93 96.2328 81.9247 -17.9121 PRESSAVG: 2377000 -95.7209 28.6013 -38.7226 28.6012 3.9133 3.04485 -38.7226 3.04495 64.2551 GPRESSAVG: 2377000 -94.2796 28.5913 -36.9196 27.898 2.24813 5.26271 -40.3335 1.46088 64.5024 TIMING: 2377000 CPU: 7079.98, 0.00297795/step Wall: 7079.98, 0.00297795/step, 2.16976 hours remaining, 205.492188 MB of memory in use. ENERGY: 2377000 746.5127 2091.1357 1933.2278 115.0695 -206367.7768 17630.6668 0.0000 0.0000 34178.7496 -149672.4147 298.4915 -183851.1643 -149575.1087 297.9111 -125.2561 -90.3799 556571.1086 -9.1842 -9.1764 PRESSURE: 2377200 -141.947 68.8624 201.132 68.8624 -40.8102 282.229 201.132 282.228 -18.3747 GPRESSURE: 2377200 -86.8166 75.405 226.515 52.2472 -20.5099 240.852 150.427 236.637 11.6954 PRESSAVG: 2377200 -19.4268 39.7801 25.7232 39.7802 54.3322 48.1141 25.7233 48.114 -18.3014 GPRESSAVG: 2377200 -19.9283 41.8016 24.7431 39.865 54.1498 45.9094 28.5413 48.9235 -17.662 TIMING: 2377200 CPU: 7080.58, 0.00298206/step Wall: 7080.58, 0.00298206/step, 2.17259 hours remaining, 205.492188 MB of memory in use. ENERGY: 2377200 729.9843 2129.5212 1946.1699 113.9463 -206199.8513 17685.9636 0.0000 0.0000 34001.2606 -149593.0054 296.9415 -183594.2659 -149494.6512 298.2741 -67.0439 -31.8771 558277.2337 5.5346 5.5198 PRESSURE: 2377400 -54.1602 165.524 -91.1075 165.523 -98.2115 23.8493 -91.1075 23.8489 1.43508 GPRESSURE: 2377400 -34.0001 175.534 -66.5064 156.979 -40.2634 3.31279 -153.73 -110.935 18.077 PRESSAVG: 2377400 12.0584 84.1889 26.3447 84.189 8.90219 51.2873 26.3447 51.2874 8.40331 GPRESSAVG: 2377400 12.78 84.1891 27.609 82.5293 8.70806 52.1195 24.1975 49.2942 8.37822 TIMING: 2377400 CPU: 7081.18, 0.0030105/step Wall: 7081.18, 0.0030105/step, 2.19315 hours remaining, 205.492188 MB of memory in use. ENERGY: 2377400 807.7289 2106.4435 1932.6724 112.2613 -206309.8945 17767.5365 0.0000 0.0000 34105.2560 -149477.9959 297.8497 -183583.2519 -149377.5558 299.1473 -50.3122 -18.7288 556428.4578 9.7880 9.9554 PRESSURE: 2377600 86.5408 -20.0539 141.496 -20.0548 -83.553 14.9693 141.497 14.9679 -92.825 GPRESSURE: 2377600 75.2988 -20.6333 144.715 -2.27945 -63.5968 2.36885 128.485 -5.60008 -21.238 PRESSAVG: 2377600 -41.2476 31.4688 -69.2118 31.4688 48.1253 1.35583 -69.2119 1.35597 -4.58359 GPRESSAVG: 2377600 -41.5559 31.2031 -71.4141 32.0316 47.9156 0.789081 -67.526 2.79128 -3.28594 TIMING: 2377600 CPU: 7081.78, 0.00299878/step Wall: 7081.78, 0.00299878/step, 2.18444 hours remaining, 205.492188 MB of memory in use. ENERGY: 2377600 727.3526 2126.9239 1929.0596 116.1534 -206225.9647 17728.9488 0.0000 0.0000 34342.8076 -149254.7188 299.9243 -183597.5264 -149163.4254 299.2647 -29.9457 -3.1787 556449.3071 0.7647 1.0246 PRESSURE: 2377800 -124.135 -10.9052 67.4149 -10.9048 -93.0763 -27.1278 67.4156 -27.1276 69.8275 GPRESSURE: 2377800 -122.948 -13.0725 85.4946 -31.3073 -52.077 -10.3723 17.0387 47.3464 125.596 PRESSAVG: 2377800 29.7335 67.3919 -1.19231 67.3919 -17.625 25.7556 -1.19224 25.7556 4.49028 GPRESSAVG: 2377800 30.8148 68.8746 1.98778 68.3731 -18.1267 27.54 -0.741528 23.9768 3.27528 TIMING: 2377800 CPU: 7082.38, 0.00299577/step Wall: 7082.38, 0.00299577/step, 2.18208 hours remaining, 205.492188 MB of memory in use. ENERGY: 2377800 770.9394 2131.4478 1922.5229 117.9616 -206081.9253 17705.3511 0.0000 0.0000 34281.9176 -149151.7850 299.3925 -183433.7025 -149061.1957 298.8460 -49.1279 -16.4765 557461.3679 5.5329 5.3211 PRESSURE: 2378000 -43.7008 137.271 -5.12241 137.272 -248.861 -38.3329 -5.1228 -38.3338 -338.827 GPRESSURE: 2378000 -63.9042 176.893 -9.87024 125.784 -202.225 -27.6319 30.1373 -40.8975 -283.678 PRESSAVG: 2378000 3.75374 6.67563 -10.8936 6.67568 48.7908 6.00512 -10.8936 6.00512 -28.2113 GPRESSAVG: 2378000 3.07069 6.00012 -11.6999 6.11787 49.3378 4.90928 -12.3249 6.59283 -28.175 TIMING: 2378000 CPU: 7082.97, 0.00298511/step Wall: 7082.97, 0.00298511/step, 2.17416 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: 2378000 712.2142 2108.3480 1917.8710 105.7472 -205751.6180 17408.7383 0.0000 0.0000 34409.7663 -149088.9330 300.5090 -183498.6993 -148991.0625 299.6381 -210.4630 -183.2692 559222.3190 8.1111 8.0778 PRESSURE: 2378200 -381.226 146.426 -44.9158 146.427 -313.128 -178.074 -44.916 -178.073 26.4602 GPRESSURE: 2378200 -348.008 101.807 -39.4684 140.635 -259.308 -147.303 -68.5492 -200.813 30.6609 PRESSAVG: 2378200 -9.03037 25.7339 43.0554 25.7338 -28.7898 -12.4378 43.0554 -12.4379 58.7522 GPRESSAVG: 2378200 -8.46716 25.1327 39.9729 25.6525 -29.6484 -10.6322 45.7348 -12.2234 59.5174 TIMING: 2378200 CPU: 7083.57, 0.00298938/step Wall: 7083.57, 0.00298938/step, 2.1771 hours remaining, 205.492188 MB of memory in use. ENERGY: 2378200 761.9256 2111.8034 1908.0801 107.3597 -205459.0584 17345.3189 0.0000 0.0000 34340.0473 -148884.5235 299.9002 -183224.5708 -148779.6435 299.8271 -222.6313 -192.2183 557519.3125 6.9774 7.1340 PRESSURE: 2378400 -100.182 -53.9865 -68.1057 -53.9861 -388.489 -91.3464 -68.1062 -91.3475 50.2863 GPRESSURE: 2378400 -62.683 -135.288 -48.958 -30.122 -332.83 -64.0381 -65.5812 -105.708 51.6085 PRESSAVG: 2378400 37.4889 -23.8565 -45.4153 -23.8566 -32.1337 -47.5125 -45.4153 -47.5126 13.0829 GPRESSAVG: 2378400 37.9178 -24.6598 -45.566 -23.8976 -31.2279 -50.5334 -47.7377 -45.4 12.3148 TIMING: 2378400 CPU: 7084.17, 0.00298638/step Wall: 7084.17, 0.00298638/step, 2.17475 hours remaining, 205.492188 MB of memory in use. ENERGY: 2378400 773.8299 2047.6948 1957.9931 111.7273 -205712.6300 17593.7819 0.0000 0.0000 34370.7853 -148856.8176 300.1686 -183227.6029 -148755.9567 300.6601 -146.1283 -114.6350 557961.2259 6.1460 6.3349 PRESSURE: 2378600 165.121 -48.7004 -60.7303 -48.7004 183.119 -90.59 -60.7309 -90.5895 375.714 GPRESSURE: 2378600 152.351 -33.9422 -43.1522 -46.1619 294.431 -106.634 -119.391 -108.615 374.747 PRESSAVG: 2378600 -8.38733 -38.878 -55.064 -38.8779 -39.1208 -31.2736 -55.064 -31.2736 81.3884 GPRESSAVG: 2378600 -10.4859 -37.8205 -52.9976 -38.7348 -38.659 -31.4362 -53.7889 -31.1616 83.3698 TIMING: 2378600 CPU: 7084.77, 0.00300729/step Wall: 7084.77, 0.00300729/step, 2.18981 hours remaining, 205.492188 MB of memory in use. ENERGY: 2378600 746.1161 2079.0297 1917.6905 123.4380 -206290.1833 18261.8249 0.0000 0.0000 34287.5254 -148874.5586 299.4415 -183162.0840 -148776.4865 299.7592 241.3179 273.8433 558857.9288 11.2934 11.4083 PRESSURE: 2378800 239.619 69.9445 116.058 69.9455 -32.5847 100.943 116.06 100.944 -132.515 GPRESSURE: 2378800 275.511 48.9628 119.899 2.4482 -31.6255 -29.6174 109.057 200.437 -75.1747 PRESSAVG: 2378800 40.0539 3.88743 47.6881 3.88744 -17.8033 42.8599 47.6881 42.8599 -51.0079 GPRESSAVG: 2378800 40.7872 5.03737 47.5514 3.54918 -17.6804 43.4379 49.4489 40.0778 -51.9235 TIMING: 2378800 CPU: 7085.37, 0.00301504/step Wall: 7085.37, 0.00301504/step, 2.19528 hours remaining, 205.492188 MB of memory in use. ENERGY: 2378800 773.9688 2114.1928 1934.3568 119.5816 -206016.3318 17851.4911 0.0000 0.0000 34358.2535 -148864.4872 300.0592 -183222.7407 -148772.9619 300.6659 24.8401 56.2371 557337.8871 -9.5857 -9.6056 PRESSURE: 2379000 -214.684 -33.6397 168.699 -33.639 -90.8676 96.5283 168.698 96.528 -131.31 GPRESSURE: 2379000 -172.422 -43.7349 213.414 -135.763 -70.1069 58.8376 83.0493 41.7553 -86.6055 PRESSAVG: 2379000 37.7797 -38.4258 41.5777 -38.4258 -30.6103 36.3667 41.5777 36.3667 18.7905 GPRESSAVG: 2379000 37.5805 -40.7352 41.3821 -36.2694 -31.043 36.0272 37.5288 36.2639 19.1594 TIMING: 2379000 CPU: 7085.97, 0.00300265/step Wall: 7085.97, 0.00300265/step, 2.1861 hours remaining, 205.492188 MB of memory in use. ENERGY: 2379000 770.3265 2089.4793 1923.7380 112.5926 -205837.6407 17566.1997 0.0000 0.0000 34470.3253 -148904.9792 301.0379 -183375.3045 -148804.2745 300.0035 -145.6208 -109.7114 558421.1977 8.6533 8.5656 PRESSURE: 2379200 208.056 -31.6087 152.833 -31.6089 230.399 2.63406 152.833 2.63346 13.5771 GPRESSURE: 2379200 195.905 -57.7041 122.187 34.6134 297.563 -66.6135 197.962 36.6856 64.1914 PRESSAVG: 2379200 68.7073 -40.8539 40.4987 -40.8538 -29.2947 61.4621 40.4987 61.4621 22.3381 GPRESSAVG: 2379200 68.258 -41.7878 41.9731 -41.2352 -28.4247 61.5439 41.257 64.1474 22.2462 TIMING: 2379200 CPU: 7086.58, 0.00301935/step Wall: 7086.58, 0.00301935/step, 2.19809 hours remaining, 205.492188 MB of memory in use. ENERGY: 2379200 725.6348 2095.6624 1919.4829 113.6990 -206220.7522 17902.2851 0.0000 0.0000 34490.8404 -148973.1476 301.2171 -183463.9880 -148871.7979 300.6242 150.6772 185.8866 556350.6213 20.5836 20.6932 PRESSURE: 2379400 -18.4624 56.2841 65.4714 56.2846 182.738 148.396 65.4719 148.396 410.872 GPRESSURE: 2379400 25.4209 -24.3422 -40.6796 86.9773 178.868 154.986 76.1976 117.854 458.406 PRESSAVG: 2379400 22.8389 -28.2498 9.75827 -28.2499 -32.9759 -21.6413 9.7583 -21.6413 -14.7188 GPRESSAVG: 2379400 22.3464 -27.1301 8.26489 -28.8379 -33.0369 -20.0425 11.0025 -21.8304 -14.3874 TIMING: 2379400 CPU: 7087.18, 0.00300494/step Wall: 7087.18, 0.00300494/step, 2.18743 hours remaining, 205.492188 MB of memory in use. ENERGY: 2379400 744.7950 2090.5135 1941.7791 115.5959 -206117.4423 17831.2234 0.0000 0.0000 34226.2463 -149167.2891 298.9063 -183393.5354 -149079.1996 299.8502 191.7161 220.8983 554872.0898 -8.2853 -8.3593 PRESSURE: 2379600 -314.177 8.2645 -10.5315 8.26593 -301.441 54.5903 -10.532 54.5915 27.2738 GPRESSURE: 2379600 -299.309 -35.1839 98.4219 -41.0879 -249.225 86.2618 -99.4831 61.3421 60.6512 PRESSAVG: 2379600 26.7922 -3.51629 -24.8546 -3.51631 -44.8856 7.207 -24.8545 7.20707 36.0427 GPRESSAVG: 2379600 26.996 -4.66099 -23.8182 -2.71648 -44.8538 5.94855 -25.3796 5.16703 35.5806 TIMING: 2379600 CPU: 7087.78, 0.00299175/step Wall: 7087.78, 0.00299175/step, 2.17766 hours remaining, 205.492188 MB of memory in use. ENERGY: 2379600 734.6882 2150.1323 1940.8304 124.6887 -206024.8044 17507.8559 0.0000 0.0000 34285.6401 -149280.9687 299.4250 -183566.6089 -149182.3952 299.0973 -196.1146 -162.6273 557307.6044 5.9831 5.9076 PRESSURE: 2379800 -131.862 147.025 -69.4533 147.024 -98.8814 -100.228 -69.4524 -100.23 78.9565 GPRESSURE: 2379800 -91.6609 194.905 -71.7089 105.753 -38.2506 -124.094 -91.1753 -54.0922 70.7469 PRESSAVG: 2379800 -105.338 13.0938 -50.5454 13.0938 -2.29324 -24.3722 -50.5455 -24.372 61.2005 GPRESSAVG: 2379800 -104.442 13.3461 -50.8115 11.0952 -2.70776 -24.5593 -51.8444 -22.2751 60.3219 TIMING: 2379800 CPU: 7088.37, 0.00298479/step Wall: 7088.37, 0.00298479/step, 2.17243 hours remaining, 205.492188 MB of memory in use. ENERGY: 2379800 751.4333 2068.6877 1936.9066 114.0177 -206412.1686 17901.3939 0.0000 0.0000 34319.4988 -149320.2307 299.7207 -183639.7295 -149229.5551 298.9252 -50.5958 -19.7216 557804.4308 -15.4770 -15.6094 PRESSURE: 2380000 140.557 -92.359 22.8943 -92.3582 79.2281 -103.873 22.8944 -103.873 -22.3059 GPRESSURE: 2380000 132.167 -56.3885 -62.6183 -119.791 161.078 61.06 48.3695 -186.614 5.65934 PRESSAVG: 2380000 -97.1961 1.67074 13.6222 1.67084 0.740163 -24.7126 13.6222 -24.7125 58.5157 GPRESSAVG: 2380000 -98.324 3.71355 12.1975 2.49246 2.52744 -22.7088 15.227 -25.764 58.6909 TIMING: 2380000 CPU: 7088.98, 0.00300153/step Wall: 7088.98, 0.00300153/step, 2.18445 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: 2380000 739.4593 2103.3882 1927.9109 107.0018 -206497.8989 17967.3542 0.0000 0.0000 34337.5092 -149315.2754 299.8780 -183652.7846 -149217.2818 299.0036 65.8263 99.6348 556554.3918 -12.6468 -12.3685 PRESSURE: 2380200 -125.559 86.7472 -37.3979 86.7466 -121.826 -40.2047 -37.3984 -40.2042 58.1426 GPRESSURE: 2380200 -101.811 150.8 -105.955 82.4896 -65.9947 -130.941 28.0445 72.3167 87.1041 PRESSAVG: 2380200 -18.0984 33.8909 -30.9325 33.891 48.8545 -10.3846 -30.9325 -10.3845 -2.30858 GPRESSAVG: 2380200 -17.0825 31.0727 -29.6035 36.4652 48.9732 -13.7511 -32.3339 -8.63297 -3.34153 TIMING: 2380200 CPU: 7089.58, 0.00300653/step Wall: 7089.58, 0.00300653/step, 2.18792 hours remaining, 205.492188 MB of memory in use. ENERGY: 2380200 731.9533 2145.4893 1944.1440 104.0939 -206134.5773 17740.9334 0.0000 0.0000 34165.3412 -149302.6222 298.3744 -183467.9634 -149209.3273 299.5652 -63.0808 -26.9006 556750.1209 9.4825 9.5164 LDB: ============= START OF LOAD BALANCING ============== 7093.01 LDB: ============== END OF LOAD BALANCING =============== 7093.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7093.01 LDB: ============= START OF LOAD BALANCING ============== 7093.31 LDB: Largest compute 4849 load 0.027877 is 23.6% of average load 0.118021 LDB: Average compute 0.001711 is 1.5% of average load 0.118021 LDB: TIME 7093.31 LOAD: AVG 0.118021 MAX 0.203576 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 7093.31 LOAD: AVG 0.118021 MAX 0.203576 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: TIME 7093.31 LOAD: AVG 0.118021 MAX 0.203576 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7093.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7093.32 PRESSURE: 2380400 19.245 -69.3142 149.486 -69.3147 155.644 46.9473 149.486 46.95 -46.8332 GPRESSURE: 2380400 13.4473 -119.963 205.236 -18.4266 217.935 50.0874 160.159 17.8236 -9.98593 PRESSAVG: 2380400 -7.78485 15.3858 -41.5148 15.3858 -54.786 -76.0721 -41.5149 -76.072 29.6151 GPRESSAVG: 2380400 -9.2711 17.8685 -41.0315 14.4609 -56.0586 -75.7544 -41.245 -76.9226 31.914 TIMING: 2380400 CPU: 7090.19, 0.00306191/step Wall: 7090.19, 0.00306191/step, 2.22805 hours remaining, 206.453125 MB of memory in use. ENERGY: 2380400 741.4531 2077.4148 1949.3077 124.4545 -206474.3648 18018.8056 0.0000 0.0000 34176.8763 -149386.0528 298.4752 -183562.9291 -149286.0281 298.4493 42.6852 73.7987 557709.4694 -10.9852 -11.1386 PRESSURE: 2380600 75.3343 -70.3169 -0.646478 -70.3163 -102.177 -31.096 -0.645622 -31.0964 -200.288 GPRESSURE: 2380600 48.5635 -17.6825 -1.92847 -155.225 -34.9788 58.4477 24.974 72.6887 -150.259 PRESSAVG: 2380600 28.4146 4.42647 63.2866 4.42643 5.60957 -5.70898 63.2867 -5.70881 -10.0377 GPRESSAVG: 2380600 29.3027 2.02365 61.5735 4.15937 4.38649 -4.91723 64.0036 -6.39135 -10.1394 TIMING: 2380600 CPU: 7090.8, 0.00304459/step Wall: 7090.8, 0.00304459/step, 2.21527 hours remaining, 206.453125 MB of memory in use. ENERGY: 2380600 777.2613 2067.4383 1948.6480 121.0243 -206012.0832 17735.6378 0.0000 0.0000 33885.8153 -149476.2581 295.9333 -183362.0734 -149375.3396 298.5597 -75.7102 -45.5581 557879.4171 7.9955 7.8499 PRESSURE: 2380800 158.364 68.7619 -16.2948 68.7609 26.5668 91.3559 -16.2943 91.3564 114.903 GPRESSURE: 2380800 117.194 48.7217 6.25765 71.1326 151.038 84.3211 7.3802 88.2105 134.168 PRESSAVG: 2380800 67.0611 -6.28335 54.8536 -6.28337 -4.33563 -7.7436 54.8537 -7.7437 -33.9584 GPRESSAVG: 2380800 66.3045 -4.95068 54.8047 -7.55159 -2.83721 -8.49394 56.5879 -6.35359 -34.305 TIMING: 2380800 CPU: 7091.4, 0.00301346/step Wall: 7091.4, 0.00301346/step, 2.19246 hours remaining, 206.453125 MB of memory in use. ENERGY: 2380800 730.0970 2125.8047 1915.2643 116.4266 -206584.3321 17981.4925 0.0000 0.0000 34377.2491 -149337.9980 300.2251 -183715.2470 -149239.4949 298.6416 99.9448 134.1333 556225.2841 9.5890 9.7208 PRESSURE: 2381000 13.503 168.604 129.489 168.604 276.192 102.502 129.488 102.5 94.1007 GPRESSURE: 2381000 83.76 119.853 130.983 156.402 274.375 196.141 167.759 -17.1355 123.199 PRESSAVG: 2381000 17.5406 51.2558 34.4923 51.2558 51.9459 10.3487 34.4922 10.3488 -91.0641 GPRESSAVG: 2381000 18.5341 50.6021 34.1424 52.5229 51.7175 12.2503 34.543 9.11101 -92.4356 TIMING: 2381000 CPU: 7092, 0.00301336/step Wall: 7092, 0.00301336/step, 2.19222 hours remaining, 206.453125 MB of memory in use. ENERGY: 2381000 740.4111 2071.3495 1955.2952 120.2513 -206347.5282 17964.5342 0.0000 0.0000 34091.5871 -149404.0999 297.7303 -183495.6870 -149307.7896 299.1002 127.9320 160.4447 556633.8985 -7.1925 -7.3947 PRESSURE: 2381200 -155.864 72.3471 33.5095 72.3484 -72.1854 146.364 33.5087 146.364 -6.67231 GPRESSURE: 2381200 -150.668 110.621 122.254 19.6921 -31.2486 85.5874 34.7401 176.86 38.4598 PRESSAVG: 2381200 52.4669 78.2664 88.9726 78.2665 0.756132 -18.3133 88.9725 -18.3133 -58.7445 GPRESSAVG: 2381200 52.3974 79.0788 88.4905 78.4581 -0.0584587 -20.3269 89.2725 -16.3585 -58.2476 TIMING: 2381200 CPU: 7092.6, 0.00299609/step Wall: 7092.6, 0.00299609/step, 2.17949 hours remaining, 206.453125 MB of memory in use. ENERGY: 2381200 759.6606 2150.6765 1947.2664 118.4213 -206503.2143 17956.1190 0.0000 0.0000 34199.0386 -149372.0320 298.6687 -183571.0706 -149281.1497 298.3139 -78.2405 -47.8189 558459.5050 -1.8405 -1.9696 PRESSURE: 2381400 -117.479 83.9841 204.602 83.9841 -29.9211 -108.159 204.602 -108.16 -86.8982 GPRESSURE: 2381400 -70.6325 -1.95771 240.64 88.6525 8.27103 -110.922 154.242 -101.592 -76.2281 PRESSAVG: 2381400 -6.33331 -59.8069 27.8018 -59.807 -2.26376 -18.3413 27.8018 -18.3413 -2.56351 GPRESSAVG: 2381400 -6.81714 -59.8075 28.9995 -61.5758 -2.13061 -18.3888 26.1379 -19.641 -1.84214 TIMING: 2381400 CPU: 7093.2, 0.00299356/step Wall: 7093.2, 0.00299356/step, 2.17748 hours remaining, 206.453125 MB of memory in use. ENERGY: 2381400 745.4086 2062.6767 1937.0118 97.9862 -206307.7030 17771.9525 0.0000 0.0000 34338.6267 -149354.0406 299.8878 -183692.6673 -149258.5651 299.0860 -78.0995 -46.1965 558689.2187 -3.7202 -3.5966 PRESSURE: 2381600 10.8677 110.224 -87.7878 110.225 364.616 -125.358 -87.7883 -125.359 59.1235 GPRESSURE: 2381600 53.5503 122.447 -106.114 50.238 386.093 -107.138 -100.134 -84.0367 93.4999 PRESSAVG: 2381600 -50.6243 -4.91613 46.8795 -4.91612 61.7585 -16.0422 46.8796 -16.0422 8.32719 GPRESSAVG: 2381600 -49.1761 -4.2727 46.7916 -4.49902 60.3392 -13.2295 49.1873 -17.4616 8.48459 TIMING: 2381600 CPU: 7093.8, 0.00298626/step Wall: 7093.8, 0.00298626/step, 2.17201 hours remaining, 206.453125 MB of memory in use. ENERGY: 2381600 735.9353 2090.3404 1945.4609 120.5412 -206531.8819 18064.7546 0.0000 0.0000 34222.6641 -149352.1855 298.8750 -183574.8495 -149257.0479 299.2110 144.8690 177.7143 556099.6145 6.4871 6.5492 PRESSURE: 2381800 -185.365 -3.26921 145.927 -3.27001 -347.228 -42.8931 145.927 -42.8947 -136.941 GPRESSURE: 2381800 -124.306 85.8658 168.74 -17.5583 -296.602 -35.9507 26.8566 -94.6397 -148.169 PRESSAVG: 2381800 57.8568 29.7061 29.2709 29.7061 -41.9722 30.198 29.2708 30.198 -21.918 GPRESSAVG: 2381800 57.4549 29.3101 29.0865 30.7256 -40.5702 29.7183 28.4044 28.5447 -22.6421 TIMING: 2381800 CPU: 7094.4, 0.00300357/step Wall: 7094.4, 0.00300357/step, 2.18443 hours remaining, 206.453125 MB of memory in use. ENERGY: 2381800 725.4701 2056.5627 1932.2303 116.4359 -205710.5572 17385.9313 0.0000 0.0000 34165.2784 -149328.6485 298.3739 -183493.9269 -149231.1139 298.9103 -223.1782 -189.6923 558618.4945 -2.0111 -1.9191 PRESSURE: 2382000 253.089 -167.099 82.2942 -167.1 -127.991 70.2234 82.2954 70.2237 147.682 GPRESSURE: 2382000 258.911 -131.313 125.881 -140.581 -55.6665 16.5367 68.78 105.384 176.22 PRESSAVG: 2382000 31.8263 -43.6102 6.11377 -43.61 -7.34321 53.5638 6.11368 53.5639 7.26636 GPRESSAVG: 2382000 30.8113 -43.1525 5.85425 -43.7528 -8.01112 50.7832 4.0945 55.351 8.48764 TIMING: 2382000 CPU: 7095, 0.00299957/step Wall: 7095, 0.00299957/step, 2.18135 hours remaining, 206.453125 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: 2382000 694.8763 2097.0789 1952.1084 120.1149 -206297.8893 17775.0890 0.0000 0.0000 34257.9288 -149400.6931 299.1830 -183658.6219 -149304.0593 298.3613 90.9268 126.4884 556904.3199 10.5831 10.4293 PRESSURE: 2382200 123.967 -50.6623 35.9072 -50.6633 79.8864 -328.901 35.9074 -328.901 -285.156 GPRESSURE: 2382200 179.426 -116.301 -50.5722 -3.88725 97.3347 -324.593 48.8491 -314.308 -256.07 PRESSAVG: 2382200 65.884 -18.7429 -13.5259 -18.7429 -28.8846 21.9566 -13.5259 21.9566 -6.62999 GPRESSAVG: 2382200 67.1354 -20.8326 -14.1846 -16.2629 -28.861 23.419 -12.2777 21.4848 -7.7014 TIMING: 2382200 CPU: 7095.6, 0.00300633/step Wall: 7095.6, 0.00300633/step, 2.1861 hours remaining, 206.453125 MB of memory in use. ENERGY: 2382200 722.0069 2084.5730 1941.4620 109.8001 -206367.9591 17960.1350 0.0000 0.0000 34195.1620 -149354.8201 298.6349 -183549.9821 -149263.6960 298.6505 -27.1008 6.8969 558797.4205 10.1231 10.1910 PRESSURE: 2382400 104.47 -15.4707 93.4214 -15.4704 235.781 97.8577 93.4215 97.8584 78.7976 GPRESSURE: 2382400 170.714 0.774706 53.5535 -86.9716 206.506 112.659 108.548 0.539549 140.011 PRESSAVG: 2382400 1.57435 -4.99377 28.2263 -4.99373 -19.083 -39.0491 28.2263 -39.049 -13.3285 GPRESSAVG: 2382400 1.16967 -5.63527 29.7695 -5.2814 -18.9337 -38.3074 28.0377 -38.9578 -12.1974 TIMING: 2382400 CPU: 7096.2, 0.00301478/step Wall: 7096.2, 0.00301478/step, 2.19208 hours remaining, 206.710938 MB of memory in use. ENERGY: 2382400 714.8148 2110.4526 1933.7070 101.7574 -206488.4480 18102.3726 0.0000 0.0000 34279.2020 -149246.1415 299.3688 -183525.3436 -149147.9314 298.8410 139.6831 172.4104 557897.8204 -10.2791 -9.9871 PRESSURE: 2382600 -189.02 6.34863 149.035 6.34882 -127.306 46.8376 149.035 46.8371 -102.693 GPRESSURE: 2382600 -127.505 38.766 78.4724 -11.6183 -115.32 34.8899 249.043 -22.7512 -90.6033 PRESSAVG: 2382600 32.1458 -42.3607 -13.238 -42.3607 -9.45617 71.9513 -13.2379 71.9514 -62.5731 GPRESSAVG: 2382600 30.7968 -39.7466 -14.2669 -46.0743 -6.97376 69.7111 -13.452 73.748 -63.8836 TIMING: 2382600 CPU: 7096.81, 0.00301625/step Wall: 7096.81, 0.00301625/step, 2.19298 hours remaining, 206.710938 MB of memory in use. ENERGY: 2382600 759.1312 2099.1254 1944.0111 123.8788 -205945.1153 17645.2890 0.0000 0.0000 34145.4078 -149228.2719 298.2003 -183373.6797 -149139.4012 298.6949 -139.6730 -111.1427 557587.9468 -13.2945 -13.3535 PRESSURE: 2382800 105.59 -92.0004 -122.427 -92.0003 -39.3833 -101 -122.427 -101 -75.8031 GPRESSURE: 2382800 110.521 -178.603 -146.496 -110.912 18.3611 -158.129 -120.124 -2.04064 -43.7308 PRESSAVG: 2382800 25.9466 -5.64671 1.50229 -5.64672 -24.7168 53.6152 1.50237 53.6152 18.3905 GPRESSAVG: 2382800 27.1476 -5.78332 4.29738 -4.7963 -25.715 54.5267 1.6838 52.2462 18.4884 TIMING: 2382800 CPU: 7097.41, 0.0029965/step Wall: 7097.41, 0.0029965/step, 2.17846 hours remaining, 206.710938 MB of memory in use. ENERGY: 2382800 783.1994 2078.8215 1962.1804 107.8829 -206215.0464 17865.6521 0.0000 0.0000 34133.8224 -149283.4877 298.0992 -183417.3100 -149188.2359 298.3089 -3.1988 28.3837 557336.7186 6.5401 6.6403 PRESSURE: 2383000 36.0358 13.7818 20.1785 13.7818 -108.392 34.4705 20.1785 34.4708 -27.7807 GPRESSURE: 2383000 71.5934 31.6129 165.26 -1.72317 -85.7768 53.0796 -57.0335 44.3443 -0.765943 PRESSAVG: 2383000 -4.39729 -35.0982 20.6786 -35.0983 9.49903 6.57672 20.6786 6.57678 -35.1556 GPRESSAVG: 2383000 -4.94553 -35.7963 16.8506 -34.2766 9.07483 6.2452 21.3206 7.31315 -34.282 TIMING: 2383000 CPU: 7098.01, 0.00301842/step Wall: 7098.01, 0.00301842/step, 2.19422 hours remaining, 206.710938 MB of memory in use. ENERGY: 2383000 757.5584 2100.4031 1942.7850 117.4239 -206126.4889 17876.6863 0.0000 0.0000 34278.7799 -149052.8522 299.3651 -183331.6321 -148951.8904 299.6405 -33.3791 -4.9831 559407.9228 -10.0180 -10.0509 PRESSURE: 2383200 149.926 29.2789 -39.763 29.2776 -192.595 -179.105 -39.7626 -179.105 -32.7068 GPRESSURE: 2383200 156.028 112.138 -84.5861 29.4195 -136.501 -112.178 -88.1927 -125.867 10.6919 PRESSAVG: 2383200 -20.5276 31.7588 15.6246 31.7588 14.3096 -3.20353 15.6247 -3.20353 -32.1207 GPRESSAVG: 2383200 -20.9795 33.5654 18.8641 31.8837 14.6453 -0.687426 13.9148 -6.09489 -32.2984 TIMING: 2383200 CPU: 7098.61, 0.00301554/step Wall: 7098.61, 0.00301554/step, 2.19196 hours remaining, 206.710938 MB of memory in use. ENERGY: 2383200 738.1639 2062.9950 1954.2702 106.4581 -206011.2973 17837.1675 0.0000 0.0000 34257.1498 -149055.0928 299.1762 -183312.2427 -148957.3994 299.4829 -25.1251 10.0730 558629.9135 -12.7796 -12.8775 PRESSURE: 2383400 -186.802 -246.853 19.0033 -246.851 47.3448 47.688 19.0037 47.6889 -146.705 GPRESSURE: 2383400 -127.549 -152.492 5.73415 -189.165 46.6202 63.6582 102.261 1.60064 -114.236 PRESSAVG: 2383400 -19.2256 -2.67998 -9.52744 -2.67993 96.6498 -31.1035 -9.52745 -31.1035 -60.1064 GPRESSAVG: 2383400 -19.347 -3.69238 -12.1085 -1.28378 96.4445 -34.6236 -8.49236 -27.2988 -59.8523 TIMING: 2383400 CPU: 7099.21, 0.00298634/step Wall: 7099.21, 0.00298634/step, 2.17057 hours remaining, 206.710938 MB of memory in use. ENERGY: 2383400 769.7888 2121.1184 1927.0575 115.7455 -205838.5886 17707.1210 0.0000 0.0000 34242.2680 -148955.4893 299.0462 -183197.7573 -148864.4707 299.5889 -95.3873 -65.0551 557994.6405 5.7726 5.7484 PRESSURE: 2383600 34.0833 13.0416 138.529 13.0419 57.0792 -237.703 138.529 -237.701 -83.125 GPRESSURE: 2383600 55.9369 19.3345 92.8167 50.4607 74.8728 -203.039 223.832 -221.849 -27.2441 PRESSAVG: 2383600 -24.9587 -56.9369 -21.7632 -56.9369 72.8653 -16.1835 -21.7633 -16.1834 0.837394 GPRESSAVG: 2383600 -24.5908 -57.9159 -21.5492 -56.8179 72.1525 -15.0278 -21.6025 -16.312 0.908769 TIMING: 2383600 CPU: 7099.81, 0.00298253/step Wall: 7099.81, 0.00298253/step, 2.16764 hours remaining, 206.710938 MB of memory in use. ENERGY: 2383600 730.9472 2053.8868 1958.1599 117.9480 -205791.6289 17617.0061 0.0000 0.0000 34478.7238 -148834.9570 301.1113 -183313.6808 -148744.8126 300.5393 2.6792 34.5219 556953.8882 16.2480 16.1568 PRESSURE: 2383800 -313.545 26.7135 110.601 26.7135 4.64064 75.8742 110.601 75.8742 -108.838 GPRESSURE: 2383800 -249.553 24.8623 154.216 7.27976 49.2096 151.969 98.7323 52.1005 -115.628 PRESSAVG: 2383800 -6.07681 -24.6885 85.7318 -24.6885 -43.8091 -18.2763 85.7317 -18.2763 13.6072 GPRESSAVG: 2383800 -6.27125 -23.0571 86.69 -26.1592 -44.2274 -16.6839 85.4151 -19.6039 14.2971 TIMING: 2383800 CPU: 7100.4, 0.00299313/step Wall: 7100.4, 0.00299313/step, 2.17517 hours remaining, 206.710938 MB of memory in use. ENERGY: 2383800 742.0633 2122.5587 1946.7701 114.5975 -205776.4749 17521.4332 0.0000 0.0000 34557.3564 -148771.6956 301.7980 -183329.0520 -148673.8612 300.9850 -139.2474 -105.3240 558731.4627 -12.0929 -12.0672 PRESSURE: 2384000 -34.9782 87.8389 -90.8256 87.8388 -198.509 -3.17625 -90.8246 -3.17589 -116.736 GPRESSURE: 2384000 -58.3491 87.0066 -51.0609 51.5347 -155.206 -51.3567 -117.852 76.7631 -44.0325 PRESSAVG: 2384000 2.70646 24.6327 40.8502 24.6326 35.4931 0.863636 40.8503 0.863616 -20.9806 GPRESSAVG: 2384000 1.61184 23.3697 41.9767 26.3169 35.8119 -0.293688 39.9058 2.43125 -19.877 TIMING: 2384000 CPU: 7101, 0.00299176/step Wall: 7101, 0.00299176/step, 2.17402 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: 2384000 779.3596 2071.3220 1960.2848 97.6007 -205944.1207 17899.0846 0.0000 0.0000 34372.0159 -148764.4531 300.1794 -183136.4689 -148673.4265 300.4158 -116.7411 -85.8627 559146.0950 5.7396 5.8489 PRESSURE: 2384200 135.213 70.4145 -46.5388 70.4147 -48.7862 22.9224 -46.5391 22.9211 223.728 GPRESSURE: 2384200 106.472 19.2812 -30.7432 86.6119 32.6301 49.6668 -13.3906 -26.6677 276.722 PRESSAVG: 2384200 -25.3172 -42.2487 38.5183 -42.2487 59.5426 18.7242 38.5183 18.7243 3.57193 GPRESSAVG: 2384200 -25.6499 -40.7823 35.6171 -43.9803 60.4322 18.1145 39.9844 18.3018 3.07388 TIMING: 2384200 CPU: 7101.6, 0.00299982/step Wall: 7101.6, 0.00299982/step, 2.1797 hours remaining, 206.710938 MB of memory in use. ENERGY: 2384200 736.9879 2077.6068 1964.0009 99.7438 -206167.4623 18024.4911 0.0000 0.0000 34525.4644 -148739.1673 301.5195 -183264.6317 -148642.2892 300.5667 103.3848 138.6080 558057.4496 12.5991 12.6187 LDB: ============= START OF LOAD BALANCING ============== 7105.03 LDB: ============== END OF LOAD BALANCING =============== 7105.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7105.03 LDB: ============= START OF LOAD BALANCING ============== 7105.33 LDB: Largest compute 4821 load 0.027001 is 22.9% of average load 0.118020 LDB: Average compute 0.001718 is 1.5% of average load 0.118020 LDB: TIME 7105.34 LOAD: AVG 0.11802 MAX 0.203058 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 7105.34 LOAD: AVG 0.11802 MAX 0.203058 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: TIME 7105.34 LOAD: AVG 0.11802 MAX 0.203058 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7105.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7105.34 PRESSURE: 2384400 -282.831 149.883 -20.6549 149.883 -201.799 -134.043 -20.6547 -134.044 127.899 GPRESSURE: 2384400 -191.614 125.524 -71.1344 187.548 -216.468 -23.7327 45.0588 -127.306 149.752 PRESSAVG: 2384400 10.0733 -7.67696 42.4964 -7.67704 38.0954 19.3747 42.4963 19.3747 7.70496 GPRESSAVG: 2384400 11.4584 -9.04821 44.0809 -6.46587 39.1009 19.9799 39.8917 18.3184 5.46694 TIMING: 2384400 CPU: 7102.21, 0.0030523/step Wall: 7102.21, 0.0030523/step, 2.21766 hours remaining, 206.953125 MB of memory in use. ENERGY: 2384400 757.7841 2093.5827 1962.8664 104.1040 -205581.7153 17455.1731 0.0000 0.0000 34345.7220 -148862.4830 299.9497 -183208.2050 -148768.8195 300.7238 -118.9106 -86.1099 558028.0618 18.6246 18.6754 PRESSURE: 2384600 -65.1638 -4.83616 -35.5446 -4.83622 -9.51928 30.0797 -35.5448 30.0809 37.3957 GPRESSURE: 2384600 -18.2638 36.2638 -0.0336966 -64.5605 10.2066 23.153 -74.9945 50.1169 70.4217 PRESSAVG: 2384600 -82.7377 79.03 32.8905 79.0301 7.95258 -27.3125 32.8905 -27.3125 65.3547 GPRESSAVG: 2384600 -81.2727 80.0714 32.2501 78.9789 7.36811 -27.1803 35.1558 -25.3239 65.0827 TIMING: 2384600 CPU: 7102.81, 0.00295897/step Wall: 7102.81, 0.00295897/step, 2.14969 hours remaining, 207.156250 MB of memory in use. ENERGY: 2384600 765.4293 2063.6260 1956.1706 116.3726 -206163.6575 17857.3393 0.0000 0.0000 34525.8586 -148878.8612 301.5229 -183404.7197 -148780.3585 300.8847 -12.4291 20.7882 557381.6985 -3.1435 -2.9407 PRESSURE: 2384800 0.78311 -65.1352 189.163 -65.1358 -148.448 57.2148 189.162 57.2162 35.7533 GPRESSURE: 2384800 73.6037 -69.1692 111.757 -48.0286 -135.941 40.351 279.691 -27.1058 37.465 PRESSAVG: 2384800 -0.153534 19.233 16.8442 19.2329 5.79771 -23.4912 16.8442 -23.4912 -42.9384 GPRESSAVG: 2384800 -1.09949 19.8492 16.6431 19.2639 5.36644 -23.2078 16.7621 -26.3464 -41.6025 TIMING: 2384800 CPU: 7103.4, 0.0029748/step Wall: 7103.4, 0.0029748/step, 2.16103 hours remaining, 207.156250 MB of memory in use. ENERGY: 2384800 745.8381 2090.1909 1964.7365 114.0772 -205956.9998 17612.8221 0.0000 0.0000 34461.9143 -148967.4207 300.9645 -183429.3350 -148868.0101 300.4326 -37.3038 -8.2907 557169.4187 -12.4314 -12.4452 PRESSURE: 2385000 56.2406 31.4022 -6.41573 31.4018 -80.3353 -181.467 -6.41573 -181.468 -85.4424 GPRESSURE: 2385000 60.4041 14.1439 15.1988 26.0982 -59.7381 -107.055 -64.4979 -204.775 -20.8365 PRESSAVG: 2385000 31.2935 39.948 22.7098 39.948 9.62212 -42.5022 22.7099 -42.5023 -87.9408 GPRESSAVG: 2385000 29.2482 38.2018 24.2955 38.0384 10.9065 -43.8465 21.2907 -40.1566 -87.4001 TIMING: 2385000 CPU: 7104, 0.00299942/step Wall: 7104, 0.00299942/step, 2.17874 hours remaining, 207.156250 MB of memory in use. ENERGY: 2385000 745.8807 2093.0931 1963.6621 123.6424 -206047.2440 17724.0610 0.0000 0.0000 34294.5741 -149102.3306 299.5030 -183396.9048 -149008.8617 300.1089 -36.5123 -6.7235 556782.8995 -15.6750 -15.7484 PRESSURE: 2385200 -266.981 53.459 80.487 53.4588 167.73 82.1076 80.4875 82.1073 2.41989 GPRESSURE: 2385200 -195.811 64.9642 49.8137 28.6013 193.762 78.0939 110.493 61.1787 5.46376 PRESSAVG: 2385200 -20.6053 27.6745 -30.2605 27.6744 -3.64545 -12.1921 -30.2606 -12.192 35.8598 GPRESSAVG: 2385200 -19.3575 28.3291 -32.2932 29.4865 -4.57525 -11.1936 -26.5342 -12.6604 35.3038 TIMING: 2385200 CPU: 7104.6, 0.00299767/step Wall: 7104.6, 0.00299767/step, 2.17731 hours remaining, 207.156250 MB of memory in use. ENERGY: 2385200 736.6551 1989.0024 1942.0693 119.6357 -206023.4399 17690.7315 0.0000 0.0000 34353.5045 -149191.8413 300.0177 -183545.3458 -149088.3635 299.0715 -32.2771 1.1383 556978.9071 3.8697 3.7904 PRESSURE: 2385400 -108.142 117.635 -11.8566 117.636 -83.3119 140.841 -11.8555 140.841 -16.6459 GPRESSURE: 2385400 -57.2285 53.503 -11.4565 92.0408 -86.6665 113.353 46.874 265.097 27.5205 PRESSAVG: 2385400 -5.76517 8.14995 49.9194 8.14992 43.605 -2.35971 49.9194 -2.35967 -18.8126 GPRESSAVG: 2385400 -4.09156 7.88219 50.3848 7.04232 42.3325 -2.30154 49.0246 -1.13403 -19.0707 TIMING: 2385400 CPU: 7105.21, 0.00303463/step Wall: 7105.21, 0.00303463/step, 2.20399 hours remaining, 207.156250 MB of memory in use. ENERGY: 2385400 728.0594 2072.7644 1983.3303 112.5351 -206125.5697 17712.1461 0.0000 0.0000 34307.2946 -149209.4399 299.6141 -183516.7345 -149118.1251 299.4744 -69.3665 -38.7915 557234.6410 6.3424 6.3901 PRESSURE: 2385600 -250.792 -7.30994 -79.1763 -7.31105 -75.7 -7.42692 -79.1761 -7.42669 -26.1633 GPRESSURE: 2385600 -232.393 -123.624 -46.6045 37.9149 -29.1204 70.7382 -86.0919 -31.089 -3.6821 PRESSAVG: 2385600 -29.4905 30.9295 -0.0802293 30.9295 11.0622 -15.1408 -0.0801308 -15.1408 39.8317 GPRESSAVG: 2385600 -31.0432 31.8506 1.45536 32.536 12.5228 -14.5288 -2.86164 -15.7844 39.9735 TIMING: 2385600 CPU: 7105.81, 0.00301155/step Wall: 7105.81, 0.00301155/step, 2.18705 hours remaining, 207.156250 MB of memory in use. ENERGY: 2385600 771.1472 1964.4866 1936.5911 110.8098 -206125.7160 17784.4858 0.0000 0.0000 34335.7457 -149222.4498 299.8626 -183558.1955 -149127.4606 299.3240 -117.5516 -88.3984 556834.2085 7.1345 7.1510 PRESSURE: 2385800 122.753 124.602 37.5743 124.603 -16.7607 -205.365 37.5737 -205.366 45.8694 GPRESSURE: 2385800 106.177 83.621 32.3908 91.5482 31.7141 -256.769 -17.5317 -163.261 112.361 PRESSAVG: 2385800 18.1159 20.4193 48.8913 20.4193 3.03171 -61.2871 48.8912 -61.287 16.5705 GPRESSAVG: 2385800 17.9248 18.8201 48.3995 19.1709 3.14821 -60.5262 49.9222 -63.6565 16.1827 TIMING: 2385800 CPU: 7106.41, 0.0030096/step Wall: 7106.41, 0.0030096/step, 2.18547 hours remaining, 207.156250 MB of memory in use. ENERGY: 2385800 708.7708 2071.0505 1970.7493 107.1527 -205998.8907 17715.1426 0.0000 0.0000 34155.7036 -149270.3212 298.2903 -183426.0248 -149180.5813 299.0280 50.6206 83.4173 556425.4425 12.5727 12.4186 PRESSURE: 2386000 10.0653 -35.1384 24.6341 -35.1384 -62.5162 -116.039 24.6345 -116.041 -122.981 GPRESSURE: 2386000 17.7322 -103.94 25.9878 21.1597 -33.3083 -145.079 -39.7037 -34.101 -56.471 PRESSAVG: 2386000 18.2077 2.07655 39.3223 2.07663 58.1838 -41.7762 39.3222 -41.7761 -47.4967 GPRESSAVG: 2386000 18.6299 3.8327 40.0598 2.34015 57.7175 -42.7999 37.4641 -39.7923 -47.326 TIMING: 2386000 CPU: 7107.01, 0.00296978/step Wall: 7107.01, 0.00296978/step, 2.15639 hours remaining, 207.156250 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: 2386000 728.3915 2092.9503 1960.1318 121.4369 -206189.9857 17781.1022 0.0000 0.0000 34371.4916 -149134.4815 300.1748 -183505.9731 -149030.2281 299.4867 -58.4773 -24.0157 557476.8023 9.6316 9.6738 PRESSURE: 2386200 -249.958 -117.333 226.652 -117.333 -178.158 37.8183 226.652 37.8172 -87.5957 GPRESSURE: 2386200 -182.998 -56.077 209.467 -48.8133 -170.966 5.11237 273.15 116.132 -75.4803 PRESSAVG: 2386200 -9.47629 -1.73739 27.5288 -1.7374 60.9806 -1.43476 27.529 -1.43482 -11.9694 GPRESSAVG: 2386200 -9.66447 -2.35766 23.8997 -0.853274 59.8207 -0.710461 30.7714 -2.02674 -10.221 TIMING: 2386200 CPU: 7107.6, 0.0029963/step Wall: 7107.6, 0.0029963/step, 2.17548 hours remaining, 207.156250 MB of memory in use. ENERGY: 2386200 759.1138 2069.8052 1942.6864 103.0638 -205511.2665 17412.9110 0.0000 0.0000 34252.3362 -148971.3500 299.1342 -183223.6862 -148876.6971 299.6498 -171.9040 -143.1482 558448.4561 13.1783 13.3118 PRESSURE: 2386400 -195.698 -238.971 -84.9405 -238.97 11.3768 32.8346 -84.9414 32.8341 131.645 GPRESSURE: 2386400 -216.837 -239.237 7.20732 -228.71 48.8468 -1.35951 -133.807 25.4909 216.591 PRESSAVG: 2386400 -0.603325 4.4709 -19.2336 4.47086 2.50483 40.2614 -19.2336 40.2615 40.4826 GPRESSAVG: 2386400 0.277015 2.8154 -15.4425 3.39383 3.3132 38.7526 -20.5663 41.9962 39.0231 TIMING: 2386400 CPU: 7108.21, 0.00302236/step Wall: 7108.21, 0.00302236/step, 2.19423 hours remaining, 207.156250 MB of memory in use. ENERGY: 2386400 707.5316 2154.5435 1953.0777 120.3575 -205772.5559 17561.2453 0.0000 0.0000 34317.9306 -148957.8696 299.7070 -183275.8002 -148862.5445 300.5823 -17.5587 16.2002 557020.9337 14.1280 14.2044 PRESSURE: 2386600 -53.8459 -28.7341 186.806 -28.7338 40.4434 -23.7183 186.806 -23.7179 43.9276 GPRESSURE: 2386600 39.1225 -125.895 223.457 13.2769 -6.64208 22.1374 128.801 -10.8432 113.136 PRESSAVG: 2386600 3.59396 -56.6198 -33.6364 -56.6197 -75.8682 14.0023 -33.6366 14.0024 72.4885 GPRESSAVG: 2386600 2.65861 -55.506 -35.303 -56.5038 -74.8465 13.5625 -32.7429 13.2125 72.0593 TIMING: 2386600 CPU: 7108.81, 0.0030176/step Wall: 7108.81, 0.0030176/step, 2.19061 hours remaining, 207.156250 MB of memory in use. ENERGY: 2386600 711.4711 2070.4397 1948.5031 111.7847 -205953.8733 17724.3078 0.0000 0.0000 34515.7166 -148871.6504 301.4343 -183387.3670 -148787.1482 300.3960 10.1750 48.5389 558466.8625 0.0714 -0.0428 PRESSURE: 2386800 -96.6473 -52.7773 94.4281 -52.7776 168.969 -25.0739 94.4287 -25.0746 -221.837 GPRESSURE: 2386800 -130.587 -56.1511 23.1805 -132.506 199.192 -23.8575 98.0861 -21.0833 -123.684 PRESSAVG: 2386800 -28.3522 12.6227 8.53435 12.6226 -11.632 -32.3259 8.53444 -32.326 7.67763 GPRESSAVG: 2386800 -28.4857 10.8206 8.71269 13.0411 -12.7915 -30.9056 8.90739 -31.3191 8.7521 TIMING: 2386800 CPU: 7109.41, 0.00299007/step Wall: 7109.41, 0.00299007/step, 2.17046 hours remaining, 207.156250 MB of memory in use. ENERGY: 2386800 784.7314 2033.1848 1963.1767 122.9377 -206185.7331 17884.5351 0.0000 0.0000 34442.2792 -148954.8882 300.7930 -183397.1674 -148855.0693 300.0302 -49.8386 -18.3593 558320.1675 -10.7689 -10.8417 PRESSURE: 2387000 -54.4625 -23.8202 114.693 -23.8212 93.5768 -70.4249 114.693 -70.423 67.9676 GPRESSURE: 2387000 -53.3837 -36.8219 123.714 -14.5085 137.435 -103.21 68.9024 -52.6534 111.932 PRESSAVG: 2387000 -11.5057 -9.85594 41.531 -9.85601 -2.95946 -33.3239 41.5311 -33.324 -19.743 GPRESSAVG: 2387000 -10.8281 -8.3709 41.3288 -10.1897 -1.79928 -34.5427 39.6439 -34.8677 -21.3553 TIMING: 2387000 CPU: 7110.01, 0.00297615/step Wall: 7110.01, 0.00297615/step, 2.16019 hours remaining, 207.156250 MB of memory in use. ENERGY: 2387000 732.3944 2059.5675 1967.7678 107.6211 -206267.0164 17886.6918 0.0000 0.0000 34553.9602 -148959.0136 301.7683 -183512.9738 -148859.6361 299.6818 35.6940 65.3278 558322.6546 -11.4027 -11.3275 PRESSURE: 2387200 134.152 -156.691 -89.2341 -156.691 -214.546 -16.9952 -89.2342 -16.996 -163.357 GPRESSURE: 2387200 189.132 -103.834 -89.9602 -158.356 -194.293 -47.5412 -27.6402 -21.1906 -132.482 PRESSAVG: 2387200 68.1418 -13.2926 42.2172 -13.2925 -91.2793 -20.8006 42.2172 -20.8007 -3.61814 GPRESSAVG: 2387200 67.104 -13.8772 42.4087 -14.1157 -91.1001 -17.8887 42.9033 -20.501 -2.67503 TIMING: 2387200 CPU: 7110.6, 0.00299507/step Wall: 7110.6, 0.00299507/step, 2.17375 hours remaining, 207.156250 MB of memory in use. ENERGY: 2387200 731.0908 2116.1468 1937.9430 111.2765 -205715.8993 17560.7104 0.0000 0.0000 34302.5058 -148956.2259 299.5723 -183258.7317 -148853.7984 300.1383 -81.2507 -45.8808 558095.6675 -8.9185 -8.8904 PRESSURE: 2387400 101.657 -36.9506 67.4035 -36.9511 -307.559 88.8654 67.4047 88.8665 -145.158 GPRESSURE: 2387400 119.897 -116.329 114.646 -16.2996 -275.346 120.257 123.328 119.656 -114.161 PRESSAVG: 2387400 44.7764 -68.8626 44.0163 -68.8626 -13.4477 59.0964 44.0163 59.0964 -40.1622 GPRESSAVG: 2387400 45.7018 -72.2552 44.4714 -66.4775 -14.4685 56.3854 41.4632 57.059 -40.2927 TIMING: 2387400 CPU: 7111.21, 0.0030031/step Wall: 7111.21, 0.0030031/step, 2.17942 hours remaining, 207.156250 MB of memory in use. ENERGY: 2387400 742.9743 2046.4104 1953.3194 111.8876 -205688.2555 17683.3056 0.0000 0.0000 34280.0750 -148870.2832 299.3764 -183150.3582 -148767.7258 300.3708 -117.0202 -89.8698 558507.7190 -2.9445 -3.0198 PRESSURE: 2387600 -219.523 -17.6225 85.4911 -17.6218 83.3761 -43.8075 85.4896 -43.8086 231.744 GPRESSURE: 2387600 -125.169 10.0485 59.7762 -117.018 74.9611 -46.192 73.1458 -100.625 238.9 PRESSAVG: 2387600 -15.3477 -56.5379 -15.3068 -56.538 15.7974 -32.0852 -15.3069 -32.0852 3.59936 GPRESSAVG: 2387600 -15.4849 -52.0599 -16.2359 -57.9291 16.6156 -31.1071 -14.5408 -30.7897 3.26074 TIMING: 2387600 CPU: 7111.81, 0.0030207/step Wall: 7111.81, 0.0030207/step, 2.19202 hours remaining, 207.156250 MB of memory in use. ENERGY: 2387600 746.9826 1997.4921 1956.5102 125.0696 -205876.8345 17588.5364 0.0000 0.0000 34216.1145 -149246.1290 298.8178 -183462.2435 -149145.0451 299.7631 31.8656 62.8973 557228.7373 1.3497 1.4638 PRESSURE: 2387800 335.874 37.1582 7.15828 37.1596 93.5332 -61.1478 7.15816 -61.147 125.665 GPRESSURE: 2387800 372.932 5.2852 -19.8798 117.531 123.82 -86.2336 -20.5777 -67.5837 154.705 PRESSAVG: 2387800 11.9473 56.3674 10.6601 56.3673 -41.6623 4.61685 10.6601 4.61695 56.1955 GPRESSAVG: 2387800 10.532 55.5458 10.1396 57.2452 -39.9745 3.27819 11.1137 4.07826 55.5341 TIMING: 2387800 CPU: 7112.41, 0.00300121/step Wall: 7112.41, 0.00300121/step, 2.17771 hours remaining, 207.156250 MB of memory in use. ENERGY: 2387800 724.7009 2123.6144 1929.6201 105.2201 -206599.6898 18133.8410 0.0000 0.0000 34329.3740 -149253.3192 299.8070 -183582.6932 -149153.4346 299.2461 185.0242 217.1520 556741.8467 8.8268 8.6972 PRESSURE: 2388000 89.6613 -77.4774 77.6466 -77.4782 13.8562 -79.4098 77.6461 -79.4091 106.739 GPRESSURE: 2388000 113.94 -88.7292 146.602 -9.4951 36.4595 -16.4259 59.0517 -105.865 154.831 PRESSAVG: 2388000 -85.0557 -1.35861 11.573 -1.35876 17.8499 -71.1891 11.573 -71.189 29.7893 GPRESSAVG: 2388000 -85.2501 -3.88797 12.8039 -2.00504 16.5118 -71.0493 10.6101 -72.2299 31.4605 TIMING: 2388000 CPU: 7113.01, 0.00299288/step Wall: 7113.01, 0.00299288/step, 2.1715 hours remaining, 207.156250 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: 2388000 736.0513 2059.3245 1932.7801 100.2305 -206361.7461 17811.5030 0.0000 0.0000 34471.5606 -149250.2961 301.0487 -183721.8568 -149154.0523 299.3347 70.0856 101.7433 556779.5479 -12.4722 -12.4260 PRESSURE: 2388200 290.461 -9.28128 27.8482 -9.28128 204.417 88.4271 27.8479 88.4273 169.486 GPRESSURE: 2388200 279.124 49.863 21.6539 -34.0373 227.501 94.0321 42.7431 21.4003 248.482 PRESSAVG: 2388200 -21.2341 12.1011 16.1557 12.1011 57.6908 27.1691 16.1557 27.1691 -21.8144 GPRESSAVG: 2388200 -20.5766 13.1327 16.0475 12.4694 57.5739 28.5447 16.7193 26.3024 -22.2073 TIMING: 2388200 CPU: 7113.6, 0.00298439/step Wall: 7113.6, 0.00298438/step, 2.16517 hours remaining, 207.156250 MB of memory in use. ENERGY: 2388200 731.6185 2017.2467 1939.7379 99.3831 -206237.6057 18041.1861 0.0000 0.0000 34265.9555 -149142.4780 299.2531 -183408.4336 -149048.2260 298.7800 221.4546 251.7022 555707.8318 4.8807 4.9300 LDB: ============= START OF LOAD BALANCING ============== 7117.03 LDB: ============== END OF LOAD BALANCING =============== 7117.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7117.04 LDB: ============= START OF LOAD BALANCING ============== 7117.34 LDB: Largest compute 4821 load 0.026754 is 22.6% of average load 0.118123 LDB: Average compute 0.001710 is 1.4% of average load 0.118123 LDB: TIME 7117.34 LOAD: AVG 0.118123 MAX 0.201612 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.055 MB LDB: TIME 7117.34 LOAD: AVG 0.118123 MAX 0.201612 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.082 MB LDB: TIME 7117.34 LOAD: AVG 0.118123 MAX 0.201612 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.082 MB LDB: ============== END OF LOAD BALANCING =============== 7117.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7117.34 PRESSURE: 2388400 -71.2619 -101.338 32.2088 -101.338 -272.033 -5.87562 32.2079 -5.87591 -134.71 GPRESSURE: 2388400 -78.7114 -163.349 9.93374 -97.2287 -223.126 14.4397 35.7708 -9.86267 -73.8461 PRESSAVG: 2388400 -51.8244 -28.7059 -14.8313 -28.7058 28.7783 -32.3746 -14.8312 -32.3745 19.078 GPRESSAVG: 2388400 -51.9804 -28.9283 -15.9298 -29.5186 29.6008 -33.2306 -14.033 -30.4294 17.7468 TIMING: 2388400 CPU: 7114.21, 0.00304655/step Wall: 7114.21, 0.00304655/step, 2.2101 hours remaining, 205.667969 MB of memory in use. ENERGY: 2388400 760.8159 2061.7720 1923.9459 113.7252 -206015.4892 17548.5535 0.0000 0.0000 34369.6689 -149237.0078 300.1589 -183606.6768 -149134.0419 299.8638 -159.3352 -125.2279 555836.0487 -1.3227 -1.5443 PRESSURE: 2388600 -108.896 -44.2939 29.485 -44.2939 14.2356 -106.561 29.4848 -106.56 -44.395 GPRESSURE: 2388600 -82.9874 -167.809 29.463 -13.3546 44.554 -32.42 80.9723 -145.056 -3.64264 PRESSAVG: 2388600 -45.7597 49.8249 -43.2165 49.8249 94.8826 3.59464 -43.2165 3.59478 -42.2436 GPRESSAVG: 2388600 -45.4004 49.1712 -41.4214 50.3454 93.3119 3.92503 -45.8702 4.95026 -41.4252 TIMING: 2388600 CPU: 7114.82, 0.00300555/step Wall: 7114.82, 0.00300555/step, 2.18019 hours remaining, 205.871094 MB of memory in use. ENERGY: 2388600 745.3169 2084.4620 1953.5030 102.7643 -206314.0168 17655.9324 0.0000 0.0000 34283.5632 -149488.4751 299.4069 -183772.0383 -149391.2321 300.0357 -46.3517 -14.0253 556108.8143 2.2931 2.1621 PRESSURE: 2388800 228.606 195.78 -163.837 195.778 21.9028 148.716 -163.836 148.714 -81.7091 GPRESSURE: 2388800 276.807 128.844 -273.856 165.543 13.3583 196.663 -112.133 131.21 -29.3862 PRESSAVG: 2388800 23.5462 34.8527 -26.41 34.8528 30.6313 55.0101 -26.4099 55.0101 -35.7941 GPRESSAVG: 2388800 22.092 37.387 -28.4037 33.6936 31.0434 54.9124 -23.5785 53.2276 -35.4881 TIMING: 2388800 CPU: 7115.42, 0.0030068/step Wall: 7115.42, 0.0030068/step, 2.18093 hours remaining, 205.871094 MB of memory in use. ENERGY: 2388800 764.2916 2065.9493 1952.1055 125.8331 -206609.4781 18012.0281 0.0000 0.0000 34289.9220 -149399.3486 299.4624 -183689.2706 -149297.6512 299.0558 56.2664 86.9264 556473.2654 6.1278 5.8824 PRESSURE: 2389000 63.3092 -53.265 7.27832 -53.2658 -134.699 -94.0122 7.27936 -94.0127 -281.409 GPRESSURE: 2389000 91.1845 -31.6549 73.1434 -24.2214 -99.843 -87.9663 -8.32481 -82.7376 -254.693 PRESSAVG: 2389000 81.6312 1.1652 5.67183 1.16512 -74.2128 8.09696 5.67185 8.09699 -28.1256 GPRESSAVG: 2389000 82.7435 0.632066 6.60884 0.0988998 -74.5763 7.37157 4.8739 8.32285 -29.25 TIMING: 2389000 CPU: 7116.02, 0.00300964/step Wall: 7116.02, 0.00300964/step, 2.18282 hours remaining, 205.871094 MB of memory in use. ENERGY: 2389000 771.4996 2116.0034 1941.5280 113.4403 -206217.8783 17655.9889 0.0000 0.0000 34299.8503 -149319.5678 299.5491 -183619.4181 -149220.8112 299.5309 -117.5997 -87.7837 557592.4191 -6.9024 -7.0276 PRESSURE: 2389200 -59.5126 -27.3842 100.047 -27.3846 -98.0366 76.4765 100.047 76.4773 126.43 GPRESSURE: 2389200 -16.8364 -59.0241 122.962 -36.4615 -80.9289 58.5252 150.981 -5.66667 185.755 PRESSAVG: 2389200 35.0851 -42.5411 38.7726 -42.5411 -41.416 -12.3114 38.7725 -12.3114 36.0979 GPRESSAVG: 2389200 34.3466 -43.3054 38.1835 -39.408 -40.5555 -11.0712 38.5289 -12.1594 36.4279 TIMING: 2389200 CPU: 7116.62, 0.00301609/step Wall: 7116.62, 0.00301609/step, 2.18734 hours remaining, 205.871094 MB of memory in use. ENERGY: 2389200 779.7451 2103.8607 1908.9049 111.5439 -206420.3309 17826.1218 0.0000 0.0000 34432.3488 -149257.8057 300.7063 -183690.1545 -149162.1847 299.6049 -10.3731 29.3298 556638.6961 9.9223 10.0730 PRESSURE: 2389400 -17.0177 7.59399 -63.9188 7.595 -277.433 -41.8374 -63.9185 -41.8377 -140.726 GPRESSURE: 2389400 57.3397 -22.3214 -88.2077 2.5771 -263.019 29.4437 -126.014 19.8529 -133.506 PRESSAVG: 2389400 93.8374 19.9902 7.93126 19.9902 -89.9174 -1.86189 7.93115 -1.86178 24.9124 GPRESSAVG: 2389400 94.5577 21.2567 7.04789 18.5677 -89.1566 -0.900964 10.0023 -1.95399 23.729 TIMING: 2389400 CPU: 7117.22, 0.00298514/step Wall: 7117.22, 0.00298514/step, 2.16472 hours remaining, 205.871094 MB of memory in use. ENERGY: 2389400 739.5181 2056.3243 1951.6763 124.6832 -205681.4138 17483.7907 0.0000 0.0000 34105.6363 -149219.7849 297.8530 -183325.4211 -149114.5704 298.7720 -145.0587 -113.0619 557677.0252 9.6108 9.7100 PRESSURE: 2389600 21.3334 -55.037 168.856 -55.0375 -172.61 -40.532 168.856 -40.532 -157.256 GPRESSURE: 2389600 74.7065 -47.2409 134.521 44.6989 -194.815 19.7652 70.0048 -150.371 -100.72 PRESSAVG: 2389600 134.974 -22.1952 78.073 -22.1953 -20.6685 5.63472 78.073 5.63479 -96.548 GPRESSAVG: 2389600 134.125 -22.094 78.3963 -22.5138 -22.8081 4.75071 76.7385 6.25924 -94.0203 TIMING: 2389600 CPU: 7117.82, 0.00298958/step Wall: 7117.82, 0.00298958/step, 2.16778 hours remaining, 205.871094 MB of memory in use. ENERGY: 2389600 777.6521 2069.4313 1933.7834 111.6510 -206135.2877 17614.8285 0.0000 0.0000 34332.1613 -149295.7801 299.8313 -183627.9415 -149196.1432 299.1879 -102.8441 -73.6098 556762.6414 5.9190 5.7654 PRESSURE: 2389800 -137.524 5.52446 83.6112 5.52561 2.61582 -25.4901 83.6109 -25.4901 1.00238 GPRESSURE: 2389800 -130.341 -71.4379 114.725 115.211 29.0486 -47.4876 87.4917 -43.4239 70.4987 PRESSAVG: 2389800 35.8528 9.13657 34.7931 9.13655 13.2809 25.7226 34.7931 25.7226 -19.9854 GPRESSAVG: 2389800 36.7892 8.45101 34.7567 10.0038 14.3807 25.5735 36.7031 24.9908 -21.5527 TIMING: 2389800 CPU: 7118.41, 0.00297/step Wall: 7118.41, 0.00297/step, 2.15341 hours remaining, 205.871094 MB of memory in use. ENERGY: 2389800 756.7781 2096.5553 1942.1540 109.3758 -206128.4699 17671.4877 0.0000 0.0000 34335.6506 -149216.4684 299.8618 -183552.1190 -149118.6024 299.6836 -44.6354 -10.2646 556720.8281 9.7161 9.8724 PRESSURE: 2390000 110.456 121.694 -102.264 121.693 197.324 -160.365 -102.264 -160.366 92.9557 GPRESSURE: 2390000 188.191 151.473 -86.4208 125.408 229.896 -179.069 -79.8277 -137.002 66.4636 PRESSAVG: 2390000 -23.1946 -0.876641 -12.213 -0.876648 6.10308 23.8531 -12.2131 23.853 -34.5787 GPRESSAVG: 2390000 -23.3751 0.792952 -12.0805 -0.809062 5.3162 22.9108 -13.4485 25.4639 -33.9152 TIMING: 2390000 CPU: 7119.01, 0.00301228/step Wall: 7119.01, 0.00301228/step, 2.1839 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: 2390000 721.9030 2122.2699 1937.1800 106.8023 -206325.2818 18051.2054 0.0000 0.0000 34279.1538 -149106.7673 299.3684 -183385.9211 -149014.4905 299.8317 133.5787 161.5170 556920.8028 -17.2234 -17.3247 PRESSURE: 2390200 97.9745 -96.5192 -79.556 -96.5211 158.963 -36.426 -79.5539 -36.4253 -338.699 GPRESSURE: 2390200 123.403 -146.148 -158.778 -101.638 174.852 -0.331209 -18.5614 -65.2602 -273.619 PRESSAVG: 2390200 67.9087 -10.9081 76.5176 -10.9081 -20.1123 -30.3973 76.5176 -30.3972 -21.0379 GPRESSAVG: 2390200 69.7346 -13.1489 75.3178 -11.9432 -21.2508 -28.0876 78.2473 -32.1342 -21.544 TIMING: 2390200 CPU: 7119.61, 0.00300136/step Wall: 7119.61, 0.00300136/step, 2.17582 hours remaining, 205.871094 MB of memory in use. ENERGY: 2390200 763.2728 2118.4569 1932.9747 106.4584 -205981.5099 17736.4490 0.0000 0.0000 34287.0407 -149036.8574 299.4373 -183323.8981 -148940.4438 299.7952 -27.2540 8.2119 557197.9466 8.9195 8.9800 PRESSURE: 2390400 183.322 -53.7542 53.5302 -53.7542 133.298 -217.878 53.5309 -217.877 138.859 GPRESSURE: 2390400 232.971 -73.6638 72.6478 -56.5985 133.625 -169.469 -3.42269 -222.378 177.952 PRESSAVG: 2390400 33.9203 -20.8819 3.86967 -20.882 -17.7642 -47.2075 3.8697 -47.2075 4.08068 GPRESSAVG: 2390400 32.6541 -20.1395 5.81227 -18.7533 -16.6893 -46.726 4.10207 -47.7297 4.33053 TIMING: 2390400 CPU: 7120.22, 0.00300722/step Wall: 7120.22, 0.00300722/step, 2.1799 hours remaining, 205.871094 MB of memory in use. ENERGY: 2390400 753.9192 2109.8851 1926.0638 112.0453 -206133.7210 18014.1477 0.0000 0.0000 34190.6773 -149026.9826 298.5957 -183217.6599 -148927.3788 299.8612 151.8265 181.5158 557563.3881 6.7456 6.7651 PRESSURE: 2390600 101.76 -3.29255 12.2598 -3.29352 141.749 77.4181 12.2587 77.4196 90.3858 GPRESSURE: 2390600 169.619 79.1082 18.1293 8.24678 177.984 -23.7541 22.8943 143.81 72.8694 PRESSAVG: 2390600 15.6301 -11.7293 3.73634 -11.7294 22.5091 -6.85096 3.73636 -6.851 -39.8417 GPRESSAVG: 2390600 16.7384 -9.4939 1.67297 -13.1402 22.8594 -8.8764 2.92695 -5.83481 -41.2099 TIMING: 2390600 CPU: 7120.81, 0.00299933/step Wall: 7120.81, 0.00299933/step, 2.17401 hours remaining, 205.871094 MB of memory in use. ENERGY: 2390600 714.1282 2112.8333 1943.9836 115.5784 -206298.8677 17962.4244 0.0000 0.0000 34300.2507 -149149.6690 299.5526 -183449.9198 -149051.4170 298.9683 111.2981 140.1576 556335.7878 -0.5675 -0.5373 PRESSURE: 2390800 -106.671 -72.0085 -147.162 -72.01 -36.8375 -66.2428 -147.163 -66.24 -47.3422 GPRESSURE: 2390800 -52.4201 -81.6798 -149.896 -55.7187 -1.96891 -43.6279 -190.799 -6.03734 -38.0955 PRESSAVG: 2390800 50.6772 -1.03995 -28.1468 -1.03993 -37.9187 -1.4777 -28.1468 -1.47776 3.35711 GPRESSAVG: 2390800 50.1016 -1.79355 -26.676 -0.22516 -38.5772 -1.86118 -29.3375 -1.32888 4.45615 TIMING: 2390800 CPU: 7121.42, 0.00300894/step Wall: 7121.42, 0.00300894/step, 2.18081 hours remaining, 205.871094 MB of memory in use. ENERGY: 2390800 787.6172 2088.9757 1939.8844 128.1283 -205924.9250 17631.3927 0.0000 0.0000 34407.6006 -148941.3262 300.4901 -183348.9268 -148852.0242 300.3950 -63.6169 -30.8282 556646.2381 5.3719 5.3268 PRESSURE: 2391000 125.677 46.5225 -36.441 46.5221 -369.283 -43.9741 -36.4406 -43.9751 -1.98326 GPRESSURE: 2391000 157.74 1.97476 -62.0168 45.9041 -314.677 -65.328 -46.1628 -42.2163 18.4558 PRESSAVG: 2391000 67.9065 14.1543 -85.2262 14.1544 -39.8362 -70.6781 -85.2262 -70.6782 33.4839 GPRESSAVG: 2391000 67.5309 12.5307 -84.5791 14.6367 -39.5399 -70.6565 -84.6462 -70.7488 33.517 TIMING: 2391000 CPU: 7122.02, 0.00299274/step Wall: 7122.02, 0.00299274/step, 2.16891 hours remaining, 205.871094 MB of memory in use. ENERGY: 2391000 757.1756 2108.0431 1947.6062 114.3363 -205848.9177 17414.9909 0.0000 0.0000 34526.2982 -148980.4676 301.5267 -183506.7657 -148884.5441 300.3204 -81.8631 -46.1604 556446.0673 20.5181 20.5027 PRESSURE: 2391200 -386.772 -17.4018 -11.834 -17.4005 -180.981 13.0425 -11.8349 13.0442 -367.28 GPRESSURE: 2391200 -315.968 -39.4939 26.1826 13.3726 -232.597 -19.9941 7.33685 -9.77588 -289.235 PRESSAVG: 2391200 11.907 14.1221 -24.6632 14.1222 31.1317 -28.6719 -24.6632 -28.6721 -30.3586 GPRESSAVG: 2391200 12.5321 14.2741 -27.4981 13.224 31.1549 -28.2764 -23.1628 -29.4963 -31.5077 TIMING: 2391200 CPU: 7122.61, 0.0029952/step Wall: 7122.61, 0.0029952/step, 2.17052 hours remaining, 205.871094 MB of memory in use. ENERGY: 2391200 762.8308 2067.4569 1961.9540 110.0791 -205759.7031 17399.0942 0.0000 0.0000 34295.6608 -149162.6272 299.5125 -183458.2880 -149065.7344 300.0065 -311.6777 -279.2667 557425.4645 4.2267 4.0598 PRESSURE: 2391400 -108.013 65.8468 -98.0437 65.8476 -95.9247 54.0718 -98.0448 54.072 -181.149 GPRESSURE: 2391400 -35.9845 -74.1071 -117.678 109.216 -49.3141 55.0599 -161.161 49.3406 -215.441 PRESSAVG: 2391400 36.2906 -44.6205 42.0009 -44.6205 9.7959 13.4448 42.0011 13.4447 -61.8759 GPRESSAVG: 2391400 34.9794 -45.7316 43.8493 -42.4826 10.2565 14.4486 41.2865 14.3221 -60.9355 TIMING: 2391400 CPU: 7123.21, 0.00298519/step Wall: 7123.21, 0.00298519/step, 2.1631 hours remaining, 205.871094 MB of memory in use. ENERGY: 2391400 743.2911 2128.3549 1991.9424 114.5976 -205888.6555 17738.4653 0.0000 0.0000 33872.5776 -149299.4266 295.8176 -183172.0042 -149195.6548 299.2513 -128.3623 -100.2464 558239.4377 -5.2631 -5.2332 PRESSURE: 2391600 100.026 156.385 -65.6897 156.384 62.4595 37.1994 -65.6901 37.199 -285.417 GPRESSURE: 2391600 95.9364 200.946 -83.0069 167.465 126.423 95.97 -50.5536 22.2509 -246.457 PRESSAVG: 2391600 19.1958 -16.2807 6.65054 -16.2806 -52.6088 67.9871 6.6506 67.987 42.9615 GPRESSAVG: 2391600 19.5687 -16.3509 7.7234 -17.4476 -52.9297 67.7843 4.66433 68.4991 42.9908 TIMING: 2391600 CPU: 7123.81, 0.0029983/step Wall: 7123.81, 0.0029983/step, 2.17243 hours remaining, 205.871094 MB of memory in use. ENERGY: 2391600 707.9891 2100.6212 1935.9204 108.1589 -206296.1881 17849.2226 0.0000 0.0000 34212.4376 -149381.8383 298.7857 -183594.2760 -149288.9586 298.6323 -40.9770 -8.0323 558334.7505 3.1828 3.2099 PRESSURE: 2391800 -79.9023 -32.674 55.5339 -32.6743 -184.225 -132.41 55.5337 -132.41 -23.5994 GPRESSURE: 2391800 -120 -100.203 109.549 23.3965 -119.331 -103.969 28.1452 -132.055 25.4736 PRESSAVG: 2391800 -8.3805 10.1962 -5.06548 10.1962 22.8433 10.5927 -5.0656 10.5928 -22.7014 GPRESSAVG: 2391800 -8.28634 8.86076 -7.94397 11.7153 24.3476 10.4594 -1.33766 12.4649 -24.203 TIMING: 2391800 CPU: 7124.41, 0.00297699/step Wall: 7124.41, 0.00297699/step, 2.15683 hours remaining, 205.871094 MB of memory in use. ENERGY: 2391800 746.8690 2123.9150 1935.7561 113.8247 -206044.4707 17688.5879 0.0000 0.0000 34108.0765 -149327.4415 297.8743 -183435.5180 -149225.2811 298.4953 -95.9090 -71.2857 557647.9119 -2.7462 -2.7139 PRESSURE: 2392000 -201.732 123.762 -179.531 123.762 76.5749 183.503 -179.531 183.502 204.531 GPRESSURE: 2392000 -163.206 43.3723 -234.699 99.3753 106.991 199.871 -152.928 192.898 232.138 PRESSAVG: 2392000 -10.3231 59.0079 -34.6003 59.0079 -40.0597 12.475 -34.6003 12.4749 50.5881 GPRESSAVG: 2392000 -12.1491 61.3006 -33.0077 55.4141 -39.4533 11.8899 -38.1917 9.83258 51.5051 TIMING: 2392000 CPU: 7125.01, 0.00300187/step Wall: 7125.01, 0.00300187/step, 2.17469 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: 2392000 720.4464 2107.1110 1940.2517 103.1388 -206336.2307 17901.5796 0.0000 0.0000 34202.7955 -149360.9076 298.7015 -183563.7032 -149262.4139 298.9022 26.4579 58.6411 556902.3741 0.0684 -0.0324 PRESSURE: 2392200 168.127 -183.164 -65.1984 -183.163 24.4988 -100.222 -65.1977 -100.223 114.235 GPRESSURE: 2392200 173.577 -141.483 -73.3036 -178.041 79.3771 -142.837 -74.3658 -120.34 158.789 PRESSAVG: 2392200 -51.2206 -6.66161 -16.3139 -6.66156 28.2197 46.6144 -16.3141 46.6145 24.2453 GPRESSAVG: 2392200 -49.44 -8.2245 -13.6052 -4.3996 27.7256 46.3951 -18.3524 46.9132 22.7419 TIMING: 2392200 CPU: 7125.61, 0.0029974/step Wall: 7125.61, 0.0029974/step, 2.17128 hours remaining, 205.871094 MB of memory in use. ENERGY: 2392200 721.1571 2068.3681 1945.4475 111.0869 -206054.6727 17786.1514 0.0000 0.0000 34269.3596 -149153.1020 299.2828 -183422.4617 -149057.9738 299.3196 102.2867 137.2476 556703.2791 0.4148 0.3425 LDB: ============= START OF LOAD BALANCING ============== 7129.04 LDB: ============== END OF LOAD BALANCING =============== 7129.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7129.04 LDB: ============= START OF LOAD BALANCING ============== 7129.34 LDB: Largest compute 4849 load 0.027472 is 23.3% of average load 0.118036 LDB: Average compute 0.001722 is 1.5% of average load 0.118036 LDB: TIME 7129.34 LOAD: AVG 0.118036 MAX 0.205556 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.156 MB LDB: TIME 7129.34 LOAD: AVG 0.118036 MAX 0.205556 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.156 MB LDB: TIME 7129.34 LOAD: AVG 0.118036 MAX 0.205556 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.156 MB LDB: ============== END OF LOAD BALANCING =============== 7129.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7129.35 PRESSURE: 2392400 -139.464 32.7279 -67.1558 32.7289 -83.0958 121.148 -67.1546 121.148 18.2248 GPRESSURE: 2392400 -96.1071 116.975 -123.716 -15.9094 -85.406 35.3744 -146.143 104.913 73.2514 PRESSAVG: 2392400 -3.53715 -2.03616 -63.5217 -2.0362 -13.1612 -8.01231 -63.5218 -8.0124 34.0899 GPRESSAVG: 2392400 -3.70238 -0.708812 -66.6412 -2.75428 -13.6804 -7.80264 -64.2791 -8.72699 34.9247 TIMING: 2392400 CPU: 7126.22, 0.00307093/step Wall: 7126.22, 0.00307093/step, 2.22438 hours remaining, 205.156250 MB of memory in use. ENERGY: 2392400 736.8090 2113.9483 1948.2822 108.5568 -206114.0877 17755.8797 0.0000 0.0000 34257.7123 -149192.8993 299.1811 -183450.6116 -149098.8841 299.4900 -68.1117 -36.0872 558141.8203 5.7972 5.8473 PRESSURE: 2392600 -160.646 74.866 28.3321 74.8653 167.084 117.165 28.331 117.166 -216.884 GPRESSURE: 2392600 -189.036 5.36463 4.83565 111.95 210.51 83.0376 118.141 133.683 -134.256 PRESSAVG: 2392600 -22.1964 37.1798 -68.6259 37.1798 1.75407 44.1233 -68.6259 44.1233 36.1579 GPRESSAVG: 2392600 -22.6797 38.3137 -67.61 35.6785 1.2237 47.0339 -67.6744 42.8485 37.1972 TIMING: 2392600 CPU: 7126.82, 0.00300118/step Wall: 7126.82, 0.00300118/step, 2.17369 hours remaining, 205.156250 MB of memory in use. ENERGY: 2392600 741.3257 2066.0720 1952.8070 122.5752 -206068.2339 17835.3398 0.0000 0.0000 34242.2034 -149107.9108 299.0457 -183350.1142 -149014.3294 299.7640 -70.1488 -37.5941 557984.2277 5.2385 5.2471 PRESSURE: 2392800 -239.79 8.26025 -116.307 8.26172 -140.24 -84.5202 -116.307 -84.5212 207.463 GPRESSURE: 2392800 -187.804 67.5095 -94.8295 -93.6679 -116.59 -49.6576 -82.9703 -100.624 225.548 PRESSAVG: 2392800 29.2709 38.6154 -25.5682 38.6156 -24.0508 30.7709 -25.5683 30.7709 62.0807 GPRESSAVG: 2392800 29.3084 38.4718 -23.6413 39.6284 -24.653 29.0586 -24.0757 33.4264 62.6271 TIMING: 2392800 CPU: 7127.42, 0.00301847/step Wall: 7127.42, 0.00301847/step, 2.18604 hours remaining, 205.156250 MB of memory in use. ENERGY: 2392800 718.6151 2081.3864 1967.8656 109.3813 -205957.4911 17732.9322 0.0000 0.0000 34086.4517 -149260.8587 297.6855 -183347.3104 -149170.2428 299.2453 -57.5224 -26.2820 558365.9762 22.4336 22.4275 PRESSURE: 2393000 17.5052 -125.689 76.7428 -125.689 -319.272 -84.5589 76.7438 -84.5586 -49.3894 GPRESSURE: 2393000 47.3406 -170.125 108.779 -142.178 -234.631 -99.0569 41.627 -85.3954 -83.7193 PRESSAVG: 2393000 -5.95307 18.9259 -18.422 18.926 -1.17448 6.75245 -18.422 6.75247 -26.5113 GPRESSAVG: 2393000 -6.54596 18.4792 -20.7801 18.6275 -0.600371 6.51783 -17.5597 4.70417 -26.5481 TIMING: 2393000 CPU: 7128.02, 0.00299403/step Wall: 7128.02, 0.00299403/step, 2.16818 hours remaining, 205.156250 MB of memory in use. ENERGY: 2393000 716.0619 2098.4535 1952.0134 119.1813 -205785.0696 17532.1480 0.0000 0.0000 34053.0079 -149314.2036 297.3934 -183367.2115 -149223.4025 298.5539 -117.0521 -90.3366 558875.9548 -11.2129 -11.2315 PRESSURE: 2393200 -101.295 194.02 -195.417 194.019 -160.179 20.0322 -195.417 20.0313 -202.397 GPRESSURE: 2393200 -96.9937 114.319 -120.967 119.78 -143.052 39.5347 -213.822 40.8676 -122.834 PRESSAVG: 2393200 -28.4976 3.40634 -9.66305 3.40638 -12.8204 5.49603 -9.66302 5.49612 10.1618 GPRESSAVG: 2393200 -28.4697 4.39629 -8.14701 3.00275 -12.1126 4.66432 -10.229 6.2231 9.35096 TIMING: 2393200 CPU: 7128.62, 0.00300346/step Wall: 7128.62, 0.00300346/step, 2.17484 hours remaining, 205.156250 MB of memory in use. ENERGY: 2393200 759.1823 2060.0357 1935.0810 111.6224 -206479.6034 17900.4153 0.0000 0.0000 34443.5288 -149269.7381 300.8039 -183713.2668 -149174.2349 299.1105 -154.6239 -120.9599 558898.6894 -10.3854 -10.4104 PRESSURE: 2393400 37.036 233.241 -23.5029 233.24 -93.3388 105.048 -23.5032 105.047 -48.9706 GPRESSURE: 2393400 15.2568 238.854 -43.5945 183.683 -3.86897 145.122 -22.9994 19.3598 -31.483 PRESSAVG: 2393400 -4.71872 44.2559 -27.4256 44.2559 53.0813 12.5145 -27.4256 12.5145 -42.9406 GPRESSAVG: 2393400 -3.48608 42.7096 -26.815 45.2071 52.3287 13.3746 -28.5153 12.1791 -43.4705 TIMING: 2393400 CPU: 7129.22, 0.00300092/step Wall: 7129.22, 0.00300092/step, 2.17283 hours remaining, 205.156250 MB of memory in use. ENERGY: 2393400 741.7347 2136.1704 1929.4785 108.7540 -206652.3630 17993.7174 0.0000 0.0000 34213.9866 -149528.5215 298.7993 -183742.5080 -149428.2850 298.7045 -35.0911 -6.6984 558730.7158 1.8073 1.7907 PRESSURE: 2393600 -62.7726 -95.0352 217.816 -95.035 -112.659 41.6045 217.816 41.6057 -81.1681 GPRESSURE: 2393600 -36.7323 -34.0782 181.145 -91.429 -7.99815 100.173 250.846 23.3186 -113.435 PRESSAVG: 2393600 32.6368 3.38177 -13.7604 3.38175 -46.9443 -17.9329 -13.7604 -17.9329 -0.707282 GPRESSAVG: 2393600 31.0776 6.18786 -17.6282 1.54572 -45.619 -17.2675 -12.145 -18.5268 -0.32866 TIMING: 2393600 CPU: 7129.82, 0.00299707/step Wall: 7129.82, 0.00299707/step, 2.16988 hours remaining, 205.156250 MB of memory in use. ENERGY: 2393600 764.2665 2083.6003 1950.3645 113.4707 -206587.9273 17896.6868 0.0000 0.0000 34395.2292 -149384.3092 300.3821 -183779.5384 -149288.1626 298.0040 -85.5333 -52.7217 557775.2534 -5.0050 -4.9567 PRESSURE: 2393800 176.888 137.96 138.278 137.959 -229.22 -39.7736 138.278 -39.7739 -243.429 GPRESSURE: 2393800 162.413 56.0248 168.79 187.098 -139.099 3.99227 76.3221 -53.1773 -226.479 PRESSAVG: 2393800 -23.9958 42.6483 -2.81842 42.6483 3.96501 -26.2986 -2.81859 -26.2986 13.6502 GPRESSAVG: 2393800 -23.4845 40.2489 -0.409128 44.2831 3.68902 -27.0348 -2.85828 -24.513 13.1698 TIMING: 2393800 CPU: 7130.42, 0.00298282/step Wall: 7130.42, 0.00298282/step, 2.1594 hours remaining, 205.156250 MB of memory in use. ENERGY: 2393800 744.3330 2101.7999 1952.5694 94.0288 -206065.5398 17673.6718 0.0000 0.0000 34099.9476 -149399.1893 297.8033 -183499.1369 -149299.5161 298.2301 -98.5869 -67.7217 558903.6339 -2.1268 -2.2086 PRESSURE: 2394000 -64.2004 -25.5339 89.0206 -25.5337 17.3199 225.035 89.0201 225.035 -116.617 GPRESSURE: 2394000 -7.59762 -65.3851 139.543 -22.834 20.5477 37.4122 122.097 301.093 -86.8038 PRESSAVG: 2394000 6.48226 4.79056 42.0305 4.79064 53.2069 2.80429 42.0306 2.80432 -38.7314 GPRESSAVG: 2394000 6.81627 2.52924 42.7793 5.7191 52.6214 5.4504 41.2798 -0.222868 -38.5937 TIMING: 2394000 CPU: 7131.02, 0.00301251/step Wall: 7131.02, 0.00301251/step, 2.18072 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: 2394000 722.6024 2095.9577 1976.4233 108.2542 -206325.9786 17914.5703 0.0000 0.0000 34085.3908 -149422.7800 297.6762 -183508.1708 -149332.3711 298.7122 -54.4993 -24.6179 558922.1213 6.9859 6.9480 PRESSURE: 2394200 -319.579 -83.9452 55.8399 -83.9447 -204.019 235.197 55.8402 235.197 -91.2458 GPRESSURE: 2394200 -302.255 -44.5424 96.9819 -85.1966 -132.34 296.255 -6.45435 232.523 -97.8619 PRESSAVG: 2394200 -13.5205 -0.515476 -50.2524 -0.515542 -18.7667 20.2531 -50.2524 20.2532 4.05014 GPRESSAVG: 2394200 -15.5339 1.50724 -48.3003 -1.90789 -18.5386 18.275 -49.8076 22.5968 5.49357 TIMING: 2394200 CPU: 7131.62, 0.00301191/step Wall: 7131.62, 0.00301191/step, 2.18012 hours remaining, 205.156250 MB of memory in use. ENERGY: 2394200 745.0639 2081.0043 1951.5066 112.4678 -206069.9195 17537.1895 0.0000 0.0000 34180.6232 -149462.0642 298.5079 -183642.6874 -149359.0687 298.7393 -204.9480 -177.4857 558236.0972 -9.4124 -9.5263 PRESSURE: 2394400 -83.9489 -96.5209 -10.9965 -96.5193 5.89892 -194.476 -10.9964 -194.474 72.0002 GPRESSURE: 2394400 -71.6743 -190.699 -45.413 -48.684 75.8358 -200.79 -31.4479 -175.798 74.5387 PRESSAVG: 2394400 -48.7626 -40.588 -19.6958 -40.588 -74.6145 -35.9833 -19.6958 -35.9833 87.4489 GPRESSAVG: 2394400 -48.0096 -41.2059 -19.9021 -40.6077 -74.7738 -34.3397 -21.4937 -36.2109 86.392 TIMING: 2394400 CPU: 7132.22, 0.00299874/step Wall: 7132.22, 0.00299874/step, 2.17042 hours remaining, 205.156250 MB of memory in use. ENERGY: 2394400 705.7818 2136.9123 1934.0944 111.7549 -206416.9129 17958.0920 0.0000 0.0000 34203.0868 -149367.1906 298.7041 -183570.2775 -149264.1634 298.7640 -2.0166 26.2334 558896.0580 -11.9761 -12.1305 PRESSURE: 2394600 196.661 -2.00543 13.1453 -2.00481 12.8946 -43.6895 13.1444 -43.6903 65.6119 GPRESSURE: 2394600 266.095 21.8712 39.3273 49.7976 12.7689 37.1078 38.1314 -73.8163 81.538 PRESSAVG: 2394600 7.83451 -14.1779 -32.5823 -14.1778 37.0541 -16.5677 -32.5823 -16.5677 -7.958 GPRESSAVG: 2394600 8.11116 -13.0211 -34.3441 -11.9907 37.8009 -18.4433 -31.7153 -17.304 -8.32675 TIMING: 2394600 CPU: 7132.82, 0.00298018/step Wall: 7132.82, 0.00298018/step, 2.15682 hours remaining, 205.156250 MB of memory in use. ENERGY: 2394600 764.5459 2091.7574 1952.2567 119.2303 -206590.9101 18221.5381 0.0000 0.0000 34086.5168 -149355.0649 297.6860 -183441.5816 -149253.3657 298.6975 91.7225 120.1340 558242.7791 12.3102 12.5284 PRESSURE: 2394800 -279.111 1.67639 259.446 1.67447 -431.595 14.4246 259.445 14.4242 -169.949 GPRESSURE: 2394800 -247.055 46.3218 170.914 30.5603 -386.241 -24.9374 254.994 68.8313 -157.527 PRESSAVG: 2394800 0.781783 6.99318 -8.23959 6.99323 -12.7394 31.3191 -8.23942 31.3192 26.5982 GPRESSAVG: 2394800 1.12958 8.90982 -10.8516 3.82759 -12.632 30.6762 -8.07952 34.3128 26.7893 TIMING: 2394800 CPU: 7133.42, 0.00300478/step Wall: 7133.42, 0.00300478/step, 2.17446 hours remaining, 205.156250 MB of memory in use. ENERGY: 2394800 763.3639 2040.9287 1956.1925 127.4063 -205768.6684 17466.9029 0.0000 0.0000 34089.6211 -149324.2529 297.7131 -183413.8740 -149225.9743 298.3654 -293.5515 -263.6078 558285.4109 4.8802 5.0956 PRESSURE: 2395000 -122.2 37.5095 50.4306 37.5096 -85.1466 -87.4734 50.4314 -87.4731 116.342 GPRESSURE: 2395000 -51.6964 5.06984 57.239 -3.95771 -53.2356 -102.188 130.861 -78.8658 107.816 PRESSAVG: 2395000 12.3377 20.4342 52.2767 20.4342 -58.9682 -7.25061 52.2768 -7.25051 20.2011 GPRESSAVG: 2395000 12.8509 19.2742 53.7023 23.9018 -59.5941 -7.51534 53.5476 -8.67181 20.1755 TIMING: 2395000 CPU: 7134.02, 0.00300488/step Wall: 7134.02, 0.00300488/step, 2.17436 hours remaining, 205.156250 MB of memory in use. ENERGY: 2395000 759.8172 2137.2176 1948.0148 127.3977 -206112.9533 17882.7866 0.0000 0.0000 33978.0636 -149279.6559 296.7389 -183257.7194 -149186.2571 297.6748 -30.3348 0.9612 558977.0259 -8.8098 -8.8559 PRESSURE: 2395200 -135.047 -23.908 20.6561 -23.907 -2.56203 88.1266 20.6557 88.1258 -333.776 GPRESSURE: 2395200 -123.038 -6.09766 -135.159 -96.3226 92.0353 67.7888 74.287 89.7929 -320.771 PRESSAVG: 2395200 -45.3566 35.5705 26.1247 35.5705 -42.2565 -65.8633 26.1247 -65.8632 85.032 GPRESSAVG: 2395200 -45.6937 35.5 26.8306 34.4988 -42.9294 -65.2436 24.7351 -65.1689 85.9781 TIMING: 2395200 CPU: 7134.62, 0.00299303/step Wall: 7134.62, 0.00299303/step, 2.16562 hours remaining, 205.156250 MB of memory in use. ENERGY: 2395200 721.6480 2087.1899 1937.0216 120.9311 -206004.2524 17675.4930 0.0000 0.0000 34083.1826 -149378.7860 297.6569 -183461.9686 -149293.5386 298.9929 -157.1283 -117.2580 558875.5727 -0.8604 -0.8817 PRESSURE: 2395400 27.5507 115.806 44.3447 115.806 -131.927 -90.7725 44.345 -90.7735 -32.3938 GPRESSURE: 2395400 17.8224 92.1845 149.448 70.5446 -125.21 -128.202 -8.16198 -145.486 70.7079 PRESSAVG: 2395400 -26.679 3.47935 -5.073 3.47943 -54.0937 -29.1955 -5.07297 -29.1954 63.7538 GPRESSAVG: 2395400 -27.4158 2.31249 -6.20235 4.03057 -53.8341 -30.7087 -3.81273 -31.1628 64.392 TIMING: 2395400 CPU: 7135.23, 0.00303148/step Wall: 7135.23, 0.00303148/step, 2.19328 hours remaining, 205.156250 MB of memory in use. ENERGY: 2395400 742.1842 2054.7023 1939.6686 111.3155 -206447.4595 17918.6580 0.0000 0.0000 34186.2931 -149494.6379 298.5574 -183680.9309 -149404.3014 298.3334 -45.5900 -12.2266 557236.3152 -5.6730 -5.6193 PRESSURE: 2395600 20.625 21.1044 -128.986 21.105 -274.639 11.2754 -128.985 11.2771 -151.412 GPRESSURE: 2395600 54.6517 82.113 -80.0309 11.4038 -219.471 14.6757 -54.8055 9.56013 -153.642 PRESSAVG: 2395600 -52.3419 42.4224 40.3557 42.4223 -57.1524 -29.9193 40.3557 -29.9193 62.4448 GPRESSAVG: 2395600 -50.5811 44.7683 40.5089 41.1075 -57.7064 -30.7645 40.5513 -27.7029 61.3203 TIMING: 2395600 CPU: 7135.83, 0.0030185/step Wall: 7135.83, 0.0030185/step, 2.18371 hours remaining, 205.156250 MB of memory in use. ENERGY: 2395600 765.3338 2030.7485 1939.6391 107.8975 -206534.0464 17878.3726 0.0000 0.0000 34213.8729 -149598.1821 298.7983 -183812.0550 -149498.7193 298.6791 -135.1422 -106.1538 557794.6396 -15.6832 -15.6557 PRESSURE: 2395800 -162.551 156.287 -45.4026 156.288 101.754 33.9794 -45.4032 33.9801 -254.521 GPRESSURE: 2395800 -117.117 149.651 -41.2848 223.875 115.69 23.4016 29.6671 53.3786 -213.624 PRESSAVG: 2395800 10.3806 26.9026 2.3478 26.9025 -73.6585 11.8177 2.34778 11.8177 91.1802 GPRESSAVG: 2395800 9.52311 24.8399 5.25498 26.4266 -72.3691 13.1818 1.20183 10.7514 91.0774 TIMING: 2395800 CPU: 7136.43, 0.00298846/step Wall: 7136.43, 0.00298846/step, 2.16182 hours remaining, 205.156250 MB of memory in use. ENERGY: 2395800 760.8717 2077.0915 1949.1932 113.6392 -206627.1627 17927.2004 0.0000 0.0000 34312.2558 -149486.9110 299.6575 -183799.1668 -149394.8434 298.5083 -105.1062 -71.6837 559490.5399 9.3008 9.4105 PRESSURE: 2396000 -195.359 -189.639 -0.656054 -189.64 -80.7516 -58.2393 -0.655271 -58.2399 -131.131 GPRESSURE: 2396000 -188.143 -178.646 -37.4519 -141.51 -45.4077 -50.2788 -45.4344 -56.8974 -76.6816 PRESSAVG: 2396000 -38.2856 2.72639 -65.8031 2.72644 -23.4558 -19.0116 -65.8031 -19.0116 11.5356 GPRESSAVG: 2396000 -39.5685 4.36211 -67.0045 2.63022 -22.9963 -19.489 -65.5404 -19.3022 12.205 TIMING: 2396000 CPU: 7137.03, 0.00300044/step Wall: 7137.03, 0.00300044/step, 2.17031 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: 2396000 739.5687 2100.4237 1962.2319 115.1104 -205912.5792 17535.3864 0.0000 0.0000 33988.7585 -149471.0997 296.8323 -183459.8582 -149371.0406 298.5160 -135.7470 -103.4107 556495.0805 -16.7353 -16.7866 PRESSURE: 2396200 -132.883 -96.9818 -61.0251 -96.9818 119.883 19.9463 -61.0258 19.9451 267.134 GPRESSURE: 2396200 -73.3463 -68.1014 -78.5822 -84.3457 222.685 -39.1819 -32.046 -26.2878 195.178 PRESSAVG: 2396200 -83.4683 12.6876 -4.37011 12.6876 -45.5271 -0.155925 -4.37009 -0.155833 124.683 GPRESSAVG: 2396200 -83.055 12.4332 -5.22519 14.0917 -45.0923 -0.071888 -3.66611 0.0588237 124.195 TIMING: 2396200 CPU: 7137.63, 0.00298269/step Wall: 7137.63, 0.00298269/step, 2.15731 hours remaining, 205.156250 MB of memory in use. ENERGY: 2396200 709.3139 2115.8061 1947.4312 112.3745 -206552.7311 18035.8215 0.0000 0.0000 34025.7088 -149606.2751 297.1550 -183631.9839 -149513.7129 297.8542 84.7114 114.8391 557359.3269 -1.4376 -1.3174 LDB: ============= START OF LOAD BALANCING ============== 7141.06 LDB: ============== END OF LOAD BALANCING =============== 7141.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7141.06 LDB: ============= START OF LOAD BALANCING ============== 7141.36 LDB: Largest compute 4821 load 0.027984 is 23.7% of average load 0.117984 LDB: Average compute 0.001712 is 1.5% of average load 0.117984 LDB: TIME 7141.36 LOAD: AVG 0.117984 MAX 0.204184 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.699 MB LDB: TIME 7141.36 LOAD: AVG 0.117984 MAX 0.204184 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.699 MB LDB: TIME 7141.36 LOAD: AVG 0.117984 MAX 0.204184 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.699 MB LDB: ============== END OF LOAD BALANCING =============== 7141.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7141.37 PRESSURE: 2396400 106.387 -25.4704 16.9972 -25.4702 -85.3556 86.3519 16.9969 86.3522 121.758 GPRESSURE: 2396400 150.616 15.4256 5.30421 -17.0994 -59.6472 122.369 71.0305 5.34466 159.524 PRESSAVG: 2396400 -102.216 -5.2237 -1.03506 -5.22363 43.2887 3.69695 -1.03514 3.69698 85.6865 GPRESSAVG: 2396400 -102.036 -6.84853 1.20918 -4.74832 43.0658 4.88777 -1.70968 4.22606 85.3278 TIMING: 2396400 CPU: 7138.24, 0.00305977/step Wall: 7138.24, 0.00305977/step, 2.21289 hours remaining, 208.695312 MB of memory in use. ENERGY: 2396400 737.3353 2114.1499 1938.0210 98.6252 -206751.4640 18070.9861 0.0000 0.0000 34206.7988 -149585.5477 298.7365 -183792.3465 -149488.0666 298.1702 47.5965 83.4976 557648.7866 8.9196 8.7857 PRESSURE: 2396600 77.5979 -195.21 228.829 -195.21 -318.825 45.8833 228.827 45.8844 68.7995 GPRESSURE: 2396600 111.594 -119.122 156.463 -200.852 -307.739 146.458 217.2 69.9194 113.398 PRESSAVG: 2396600 -13.0877 -17.1579 -25.3128 -17.158 -34.6175 -24.6485 -25.3128 -24.6486 31.391 GPRESSAVG: 2396600 -13.1477 -16.9045 -25.7688 -16.5116 -35.2314 -23.9396 -24.7157 -23.9152 32.7263 TIMING: 2396600 CPU: 7138.84, 0.00299174/step Wall: 7138.84, 0.00299174/step, 2.16352 hours remaining, 208.695312 MB of memory in use. ENERGY: 2396600 729.3095 2128.7445 1949.0383 126.5606 -206397.2249 17777.4793 0.0000 0.0000 34187.2387 -149498.8540 298.5657 -183686.0927 -149402.6236 298.4557 -57.4759 -27.5822 558008.3823 -5.4381 -5.2176 PRESSURE: 2396800 -218.121 -33.7155 -2.30106 -33.716 5.13715 -94.9918 -2.30195 -94.9919 68.0119 GPRESSURE: 2396800 -106.385 -44.5939 -2.95321 -23.4365 9.00738 -178.154 25.1294 -97.061 56.2899 PRESSAVG: 2396800 -0.158735 -78.8773 0.479861 -78.8774 -47.3897 6.59053 0.47972 6.59059 39.4454 GPRESSAVG: 2396800 0.578394 -77.7103 1.33549 -81.4465 -47.1973 6.36198 -0.74887 4.88066 38.4833 TIMING: 2396800 CPU: 7139.43, 0.00299471/step Wall: 7139.43, 0.00299471/step, 2.16551 hours remaining, 208.695312 MB of memory in use. ENERGY: 2396800 753.7976 2074.0295 1962.1186 116.0397 -206483.8879 18024.2548 0.0000 0.0000 33987.4787 -149566.1690 296.8211 -183553.6477 -149470.8731 297.9714 -48.3240 -13.6958 558899.4438 -2.7010 -2.7119 PRESSURE: 2397000 -77.4586 80.8925 91.8011 80.8916 -57.8039 -172.74 91.8002 -172.738 186.725 GPRESSURE: 2397000 -42.2177 98.2548 138.918 90.0061 20.9568 -69.8463 78.3667 -193.747 169.765 PRESSAVG: 2397000 -12.8151 55.8313 1.9285 55.8313 27.2915 -35.8957 1.92857 -35.8957 -17.4176 GPRESSAVG: 2397000 -13.4589 57.8989 2.7281 54.4582 27.3103 -33.8913 1.68025 -37.8252 -16.605 TIMING: 2397000 CPU: 7140.03, 0.00298652/step Wall: 7140.03, 0.00298652/step, 2.15942 hours remaining, 208.695312 MB of memory in use. ENERGY: 2397000 708.5152 2069.9284 1979.0757 112.4840 -206450.8237 17920.3130 0.0000 0.0000 34069.9861 -149590.5213 297.5417 -183660.5074 -149492.6226 297.7756 17.1543 49.5014 559189.7298 -0.9804 -0.9179 PRESSURE: 2397200 3.11252 96.3037 -33.2491 96.3061 -146.887 -72.1063 -33.2498 -72.1059 -121.257 GPRESSURE: 2397200 -2.31937 63.3652 -80.8896 102.352 -54.6408 -67.1686 -25.7238 -51.8268 -117.51 PRESSAVG: 2397200 -47.7611 55.9223 -5.61003 55.9222 27.9461 -44.1151 -5.61 -44.1151 28.1207 GPRESSAVG: 2397200 -47.9396 53.5332 -9.49312 59.06 28.1655 -46.2338 -2.62989 -41.1107 27.5288 TIMING: 2397200 CPU: 7140.63, 0.00298858/step Wall: 7140.63, 0.00298858/step, 2.16074 hours remaining, 208.695312 MB of memory in use. ENERGY: 2397200 725.7951 2041.2531 1932.7563 102.3930 -206262.9880 17766.1913 0.0000 0.0000 34135.5306 -149559.0686 298.1141 -183694.5993 -149458.0184 297.8102 -88.3438 -58.1568 557571.3748 2.7686 2.5849 PRESSURE: 2397400 15.2968 76.6932 -141.547 76.6924 185.933 -32.445 -141.547 -32.4433 34.1599 GPRESSURE: 2397400 88.835 64.2682 -101.977 40.3099 209.976 -8.39078 -161.542 -14.1339 28.9063 PRESSAVG: 2397400 -34.0601 73.7592 -64.6539 73.7592 33.144 -25.0813 -64.6539 -25.0812 -56.4112 GPRESSAVG: 2397400 -33.3852 73.9881 -62.1516 72.2152 33.0066 -24.99 -65.5413 -24.7269 -56.5776 TIMING: 2397400 CPU: 7141.22, 0.00297111/step Wall: 7141.22, 0.00297111/step, 2.14795 hours remaining, 208.695312 MB of memory in use. ENERGY: 2397400 738.2070 2044.9832 1946.9011 122.0689 -206773.7704 18054.7259 0.0000 0.0000 34221.8292 -149645.0550 298.8677 -183866.8842 -149547.0620 297.9138 78.4631 109.2392 556387.2188 -19.1091 -18.9854 PRESSURE: 2397600 -54.5809 -64.1812 29.3965 -64.1824 -79.9894 72.7087 29.3967 72.7087 -281.089 GPRESSURE: 2397600 -10.9713 -148.78 47.6654 -84.9385 -105.833 103.688 19.8612 26.4028 -210.035 PRESSAVG: 2397600 20.3263 27.9379 5.60667 27.9378 6.74664 29.3709 5.60674 29.3709 -38.8964 GPRESSAVG: 2397600 19.7282 27.1207 3.35052 29.0041 6.82145 28.1514 5.29148 28.5339 -39.0659 TIMING: 2397600 CPU: 7141.82, 0.0029594/step Wall: 7141.82, 0.0029594/step, 2.13932 hours remaining, 208.695312 MB of memory in use. ENERGY: 2397600 742.4658 2082.9332 1924.5846 125.3296 -206339.2977 17741.5735 0.0000 0.0000 34246.2513 -149476.1598 299.0810 -183722.4110 -149384.0214 298.0592 -138.5531 -108.9464 558429.2555 -3.9412 -4.1721 PRESSURE: 2397800 209.291 39.2112 -89.9035 39.211 -214.221 -99.0531 -89.9039 -99.0515 -52.2114 GPRESSURE: 2397800 240.431 -1.95424 -9.75769 38.1278 -117.685 -85.6407 -101.628 -133.403 -85.6638 PRESSAVG: 2397800 102.813 -1.84755 60.8505 -1.84755 -37.8703 63.3256 60.8505 63.3257 -46.3782 GPRESSAVG: 2397800 103.239 -0.316034 62.9084 -3.60292 -37.8991 66.1139 61.5641 63.0886 -47.0457 TIMING: 2397800 CPU: 7142.4, 0.00293859/step Wall: 7142.4, 0.00293859/step, 2.12411 hours remaining, 208.695312 MB of memory in use. ENERGY: 2397800 719.9202 2092.5321 1937.9725 104.7423 -206611.1267 17896.1881 0.0000 0.0000 34346.2872 -149513.4843 299.9547 -183859.7715 -149413.9091 298.5454 -19.0469 12.3606 557184.3624 6.1883 6.0982 PRESSURE: 2398000 41.2093 -50.9168 149.605 -50.9164 219.722 103.6 149.604 103.601 -130.455 GPRESSURE: 2398000 84.1072 -63.7582 122.326 -140.044 206.874 22.906 73.0733 106.24 -61.045 PRESSAVG: 2398000 -3.88147 -9.09568 -43.9492 -9.09573 83.2318 -27.6115 -43.9493 -27.6115 -66.2247 GPRESSAVG: 2398000 -4.64213 -9.96982 -45.4844 -7.67738 82.682 -28.9372 -44.9149 -27.1201 -64.7171 TIMING: 2398000 CPU: 7143, 0.00297624/step Wall: 7143, 0.00297624/step, 2.15116 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: 2398000 775.1149 2139.0886 1933.6203 119.1158 -206598.6751 18068.2839 0.0000 0.0000 34088.5222 -149474.9295 297.7035 -183563.4517 -149388.2611 298.1047 43.4923 76.6455 559097.3757 4.3752 4.4409 PRESSURE: 2398200 -17.1953 22.6807 132.457 22.6814 -51.2796 -198.525 132.456 -198.526 -482.551 GPRESSURE: 2398200 34.3022 -34.8052 46.9446 38.1596 -61.1156 -173.753 219.218 -179.968 -429.244 PRESSAVG: 2398200 90.8927 15.9215 -0.342625 15.9215 -14.9996 15.5427 -0.342636 15.5427 -65.5022 GPRESSAVG: 2398200 90.8593 14.249 2.11612 16.2633 -14.3417 15.036 -1.97665 15.7605 -65.4419 TIMING: 2398200 CPU: 7143.59, 0.00297439/step Wall: 7143.59, 0.00297439/step, 2.14966 hours remaining, 208.695312 MB of memory in use. ENERGY: 2398200 747.1820 2123.1650 1957.4679 104.9980 -206098.9090 17635.6359 0.0000 0.0000 33937.9232 -149592.5371 296.3883 -183530.4603 -149499.2768 297.2113 -183.6753 -152.0193 556821.3230 3.4636 3.6919 PRESSURE: 2398400 -217.351 115.654 125.221 115.654 -116.11 -33.4379 125.221 -33.4389 -210.269 GPRESSURE: 2398400 -194.819 135.969 98.6636 127.181 -105.216 -77.8816 156.901 -24.5206 -146.416 PRESSAVG: 2398400 46.5227 56.6592 61.5923 56.6591 39.8617 9.80877 61.5922 9.80882 -10.985 GPRESSAVG: 2398400 46.3309 58.2878 62.0338 57.1692 40.0376 8.83048 61.3551 9.66782 -10.8608 TIMING: 2398400 CPU: 7144.19, 0.00299682/step Wall: 7144.19, 0.00299682/step, 2.1657 hours remaining, 208.695312 MB of memory in use. ENERGY: 2398400 776.7301 2163.0252 1941.3424 118.2656 -206439.9086 17700.6263 0.0000 0.0000 34143.5317 -149596.3874 298.1840 -183739.9190 -149508.1416 297.9494 -181.2433 -148.8173 557316.7010 25.1331 25.1692 PRESSURE: 2398600 -398.504 73.9358 11.1377 73.9361 -141.162 23.3269 11.1378 23.3285 -170.606 GPRESSURE: 2398600 -382.439 57.1608 48.9888 45.0342 -130.047 22.1008 -28.5539 -37.8654 -99.1441 PRESSAVG: 2398600 -73.6816 12.5882 -2.5123 12.5881 53.2758 -38.4823 -2.5123 -38.4825 9.28447 GPRESSAVG: 2398600 -73.0332 13.0065 -5.10857 11.3039 53.0859 -39.1871 -0.0110817 -36.9853 9.01412 TIMING: 2398600 CPU: 7144.8, 0.00301509/step Wall: 7144.8, 0.00301509/step, 2.17874 hours remaining, 208.695312 MB of memory in use. ENERGY: 2398600 759.6320 2139.3027 1993.5802 98.4682 -205946.9386 17529.9588 0.0000 0.0000 33893.0663 -149532.9304 295.9966 -183425.9967 -149436.6492 297.9052 -236.7573 -203.8767 557939.5448 -3.7071 -3.6444 PRESSURE: 2398800 -73.7577 24.5121 56.6795 24.5127 37.7569 10.424 56.6783 10.4241 38.4438 GPRESSURE: 2398800 -61.5233 -54.5657 37.0854 37.0885 81.921 48.9477 1.89123 -3.17038 77.8778 PRESSAVG: 2398800 -8.17518 30.1981 0.951888 30.1981 41.1578 15.2512 0.95187 15.2512 -49.0864 GPRESSAVG: 2398800 -8.15415 28.6264 1.98754 31.5938 41.5185 14.1108 -1.28933 15.0369 -48.9798 TIMING: 2398800 CPU: 7145.4, 0.0030136/step Wall: 7145.4, 0.0030136/step, 2.17749 hours remaining, 208.695312 MB of memory in use. ENERGY: 2398800 753.0447 2072.9324 1965.5762 104.1009 -206508.0711 17993.0930 0.0000 0.0000 34287.1993 -149332.1246 299.4386 -183619.3239 -149231.6292 298.9508 0.8143 32.7585 558066.1716 -5.3679 -5.2052 PRESSURE: 2399000 -37.4112 108.979 -51.0447 108.98 -3.01103 -143.939 -51.0448 -143.939 -54.7472 GPRESSURE: 2399000 26.8321 90.7464 -38.0106 104.168 89.3706 -138.526 -33.7052 -90.9346 -105.412 PRESSAVG: 2399000 -2.53205 -41.1743 14.994 -41.1743 33.8917 42.8704 14.994 42.8703 -6.05274 GPRESSAVG: 2399000 -2.6058 -42.2725 14.8271 -40.8518 33.796 46.0134 17.2246 41.3232 -5.72388 TIMING: 2399000 CPU: 7146.01, 0.00304152/step Wall: 7146.01, 0.00304152/step, 2.1975 hours remaining, 208.695312 MB of memory in use. ENERGY: 2399000 761.1708 2089.1318 1933.0127 106.4748 -206411.6730 17969.4909 0.0000 0.0000 34119.8910 -149432.5011 297.9775 -183552.3921 -149337.9189 299.4399 -31.7232 3.5970 557200.1097 8.4356 8.4888 PRESSURE: 2399200 123.724 -27.5521 205.76 -27.5512 123.195 147.985 205.759 147.987 -277.688 GPRESSURE: 2399200 197.168 20.9009 163.809 -58.2594 157.236 196.806 153.889 107.045 -293.005 PRESSAVG: 2399200 33.2204 -9.57159 42.2613 -9.57162 -1.50054 51.5161 42.2612 51.516 -32.808 GPRESSAVG: 2399200 33.4807 -6.7439 42.5383 -10.2753 -1.61024 48.996 42.0078 52.0651 -33.0533 TIMING: 2399200 CPU: 7146.61, 0.00302206/step Wall: 7146.61, 0.00302206/step, 2.18327 hours remaining, 208.695312 MB of memory in use. ENERGY: 2399200 746.7783 2121.6447 1946.1192 99.7606 -206269.1928 17800.4386 0.0000 0.0000 34323.9891 -149230.4623 299.7599 -183554.4514 -149138.9227 299.2878 -10.2564 20.4665 557786.9223 -0.3627 -0.3943 PRESSURE: 2399400 -142.673 -168.273 36.7877 -168.273 -180.58 15.5842 36.789 15.5851 -132.706 GPRESSURE: 2399400 -119.767 -134.772 65.8328 -185.342 -154.283 -9.77508 9.16721 87.199 -74.9046 PRESSAVG: 2399400 -11.1094 -31.4715 -18.7705 -31.4716 46.0425 5.21819 -18.7705 5.21813 -41.6898 GPRESSAVG: 2399400 -11.3012 -31.2199 -17.618 -31.9249 45.8186 6.312 -20.052 5.18733 -41.2457 TIMING: 2399400 CPU: 7147.21, 0.00299514/step Wall: 7147.21, 0.00299514/step, 2.16366 hours remaining, 208.695312 MB of memory in use. ENERGY: 2399400 739.7657 2086.0768 1977.5432 100.8032 -206090.5269 17734.2631 0.0000 0.0000 34419.6605 -149032.4144 300.5955 -183452.0749 -148928.6521 299.6034 -151.9862 -116.3182 557856.4349 -2.2522 -2.2428 PRESSURE: 2399600 33.0709 0.962784 10.0712 0.963392 9.34832 7.34271 10.07 7.34338 -1.78592 GPRESSURE: 2399600 33.5093 -51.098 50.7852 34.1915 19.8716 42.6666 8.9976 -57.8868 83.0434 PRESSAVG: 2399600 17.3418 -67.7288 -22.7591 -67.7288 12.2166 -5.21827 -22.7591 -5.21824 17.3211 GPRESSAVG: 2399600 17.3428 -67.6738 -22.1994 -67.9294 13.4309 -6.49151 -21.5409 -5.15148 16.4168 TIMING: 2399600 CPU: 7147.81, 0.00298473/step Wall: 7147.81, 0.00298473/step, 2.15597 hours remaining, 208.695312 MB of memory in use. ENERGY: 2399600 759.4628 2137.4978 1956.8806 102.5121 -206270.3395 17793.3952 0.0000 0.0000 34514.7739 -149005.8172 301.4261 -183520.5911 -148909.3598 299.3971 13.5444 45.4747 557831.3510 15.6265 15.7302 PRESSURE: 2399800 -223.286 199.023 -136.82 199.022 117.319 53.2389 -136.819 53.2384 -73.654 GPRESSURE: 2399800 -141.894 187.824 -155.261 188.143 117.535 30.0043 -56.144 84.582 -61.7761 PRESSAVG: 2399800 6.87508 5.12862 -7.38081 5.12864 14.4699 5.00789 -7.3808 5.00787 -23.143 GPRESSAVG: 2399800 7.94124 3.89019 -8.42482 5.82951 14.3065 4.34536 -8.53648 4.12656 -24.2697 TIMING: 2399800 CPU: 7148.4, 0.00297659/step Wall: 7148.4, 0.00297659/step, 2.14993 hours remaining, 208.695312 MB of memory in use. ENERGY: 2399800 766.1227 2058.5925 1953.5101 116.4438 -206037.8445 17672.8466 0.0000 0.0000 34400.7324 -149069.5964 300.4302 -183470.3288 -148974.8815 299.3950 -59.8734 -28.7119 557670.1081 -0.5994 -0.6740 PRESSURE: 2400000 -311.317 -221.012 27.5771 -221.011 -163.269 -83.9734 27.5758 -83.9744 -207.767 GPRESSURE: 2400000 -245.632 -126.523 50.6772 -268.9 -155.432 -55.3824 9.78694 -110.441 -198.01 PRESSAVG: 2400000 -37.0545 37.8419 -92.2087 37.8419 -41.6567 -2.07498 -92.2086 -2.07498 46.2839 GPRESSAVG: 2400000 -37.7714 39.3618 -91.1793 37.1975 -41.739 -0.618169 -93.8486 -2.30705 47.0281 TIMING: 2400000 CPU: 7149, 0.00297507/step Wall: 7149, 0.00297507/step, 2.14866 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: 2400000 779.3854 2083.2645 1947.4419 108.1797 -205898.1559 17638.1715 0.0000 0.0000 34246.7249 -149094.9879 299.0852 -183341.7129 -148992.1057 299.5639 -227.4512 -199.6911 558437.1602 -10.8091 -10.8274 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2400000 WRITING COORDINATES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2400200 10.7468 -161.743 80.8899 -161.744 -97.7083 -124.476 80.8901 -124.476 -53.9788 GPRESSURE: 2400200 9.68207 -180.708 119.331 -162.703 -64.5643 -113.846 77.3999 -137.951 1.78129 PRESSAVG: 2400200 -22.375 -61.6494 4.59525 -61.6494 55.0665 -67.4951 4.59524 -67.4951 -43.0889 GPRESSAVG: 2400200 -23.5358 -62.8238 3.97079 -62.7476 54.9816 -68.6539 8.29068 -65.3555 -42.0923 TIMING: 2400200 CPU: 7149.66, 0.00331784/step Wall: 7149.66, 0.00331784/step, 2.39603 hours remaining, 208.695312 MB of memory in use. ENERGY: 2400200 750.9338 2048.3405 1973.5156 110.1439 -206159.3261 17763.2450 0.0000 0.0000 34337.3495 -149175.7977 299.8766 -183513.1473 -149078.1811 299.2214 -46.9801 -17.7003 558215.3252 -3.4658 -3.5488 LDB: ============= START OF LOAD BALANCING ============== 7153.09 LDB: ============== END OF LOAD BALANCING =============== 7153.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7153.09 LDB: ============= START OF LOAD BALANCING ============== 7153.39 LDB: Largest compute 4821 load 0.026749 is 22.6% of average load 0.118142 LDB: Average compute 0.001712 is 1.4% of average load 0.118142 LDB: TIME 7153.4 LOAD: AVG 0.118142 MAX 0.204498 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.852 MB LDB: TIME 7153.4 LOAD: AVG 0.118142 MAX 0.204498 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: TIME 7153.4 LOAD: AVG 0.118142 MAX 0.204498 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: ============== END OF LOAD BALANCING =============== 7153.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7153.4 PRESSURE: 2400400 217.516 -32.8706 45.9086 -32.8715 -3.26518 -76.3699 45.9093 -76.37 -51.2507 GPRESSURE: 2400400 197.705 2.99597 72.5281 61.2996 28.2453 -161.144 -26.3557 21.9672 29.9583 PRESSAVG: 2400400 17.9602 -51.9941 40.8093 -51.9941 15.1483 -11.987 40.8093 -11.9869 -29.8143 GPRESSAVG: 2400400 18.1578 -53.8254 40.4382 -50.8811 14.9079 -12.4001 39.1718 -12.8859 -29.7469 TIMING: 2400400 CPU: 7150.27, 0.00306265/step Wall: 7150.27, 0.00306265/step, 2.21157 hours remaining, 205.359375 MB of memory in use. ENERGY: 2400400 742.9929 2089.8425 1947.6346 123.4185 -206143.7371 17965.9580 0.0000 0.0000 34256.8284 -149017.0621 299.1734 -183273.8906 -148921.5495 300.4797 54.3333 85.3029 558408.1943 1.0980 1.1063 PRESSURE: 2400600 -27.8753 65.562 36.0772 65.5617 -89.42 26.983 36.0767 26.9844 -205.346 GPRESSURE: 2400600 -44.0154 77.5639 -78.0784 46.7526 -22.1515 88.4016 92.3472 0.529177 -162.114 PRESSAVG: 2400600 16.0636 53.6087 -1.5744 53.6088 -34.2412 32.774 -1.57431 32.7741 30.9895 GPRESSAVG: 2400600 16.4903 54.3421 -0.935683 52.1728 -34.4881 34.3843 -2.11961 32.749 30.5665 TIMING: 2400600 CPU: 7150.87, 0.00297861/step Wall: 7150.87, 0.00297861/step, 2.15072 hours remaining, 205.562500 MB of memory in use. ENERGY: 2400600 734.6358 2092.3141 1958.0300 118.7986 -205724.4550 17589.4161 0.0000 0.0000 34281.2078 -148950.0526 299.3863 -183231.2604 -148858.5473 299.6629 -107.5470 -76.0936 560100.6632 4.2706 4.1896 PRESSURE: 2400800 151.117 -20.2593 -11.5694 -20.2596 77.6822 154.594 -11.5683 154.593 306.094 GPRESSURE: 2400800 176.151 1.16267 12.3799 -65.4755 135.609 185.905 3.29094 100.844 320.871 PRESSAVG: 2400800 -13.461 21.082 -40.0821 21.082 23.4499 24.7099 -40.0821 24.7099 18.1941 GPRESSAVG: 2400800 -13.2579 21.9553 -42.6116 22.7965 22.7795 25.7107 -39.6503 25.3503 18.4816 TIMING: 2400800 CPU: 7151.47, 0.00300814/step Wall: 7151.47, 0.00300814/step, 2.17188 hours remaining, 205.562500 MB of memory in use. ENERGY: 2400800 756.7049 2148.8684 1915.5813 115.0997 -206584.9485 18271.9161 0.0000 0.0000 34410.8434 -148965.9347 300.5185 -183376.7781 -148864.8694 300.2230 178.2976 210.8767 558606.7364 9.3944 9.3344 PRESSURE: 2401000 257.991 309.814 50.5424 309.815 67.6126 -107.179 50.5409 -107.181 -11.0332 GPRESSURE: 2401000 256.458 202.022 72.975 380.737 127.471 -161.008 -11.8146 -13.1219 30.1131 PRESSAVG: 2401000 25.5187 -37.9185 9.90262 -37.9186 -71.0468 8.49894 9.90272 8.49893 47.4708 GPRESSAVG: 2401000 24.2451 -40.6487 11.4293 -37.0589 -69.7045 5.02832 10.5815 8.59411 47.6777 TIMING: 2401000 CPU: 7152.07, 0.00301265/step Wall: 7152.07, 0.00301265/step, 2.17496 hours remaining, 205.562500 MB of memory in use. ENERGY: 2401000 750.4721 2103.8611 1915.9396 121.0817 -206315.9122 17962.2650 0.0000 0.0000 34395.7764 -149066.5164 300.3869 -183462.2928 -148957.8159 299.7804 104.8567 138.0141 558573.7506 0.6476 0.7395 PRESSURE: 2401200 -236.09 -174.951 80.9152 -174.952 -43.2705 38.7299 80.9148 38.7292 -81.0668 GPRESSURE: 2401200 -173.112 -63.0106 104.127 -180.567 -9.51899 22.5869 109.132 12.6067 -76.4307 PRESSAVG: 2401200 17.1606 -16.0018 -2.55353 -16.0018 -84.6567 67.4156 -2.55348 67.4157 39.3677 GPRESSAVG: 2401200 17.8145 -14.2665 -1.24866 -14.8655 -85.003 70.0272 -3.03855 66.1879 38.9026 TIMING: 2401200 CPU: 7152.67, 0.00296881/step Wall: 7152.67, 0.00296881/step, 2.14315 hours remaining, 205.562500 MB of memory in use. ENERGY: 2401200 782.8422 2076.5491 1941.5344 124.4086 -206183.0279 17829.5264 0.0000 0.0000 34411.8124 -149016.3548 300.5269 -183428.1672 -148918.2747 299.4158 -120.1423 -86.3540 560070.1227 -9.3761 -9.4286 PRESSURE: 2401400 -267.975 -60.796 26.0832 -60.7953 -393.461 -12.2429 26.0835 -12.2414 -29.6502 GPRESSURE: 2401400 -278.786 -27.2843 37.8273 -54.1943 -308.74 6.09051 -18.1461 32.1628 -14.0907 PRESSAVG: 2401400 -32.5452 27.7941 -3.6856 27.7942 -40.9755 -15.7734 -3.6857 -15.7736 87.4226 GPRESSAVG: 2401400 -32.271 27.261 -4.66571 25.9626 -41.2942 -16.761 -4.38911 -15.1769 87.5146 TIMING: 2401400 CPU: 7153.26, 0.00297028/step Wall: 7153.26, 0.00297028/step, 2.14405 hours remaining, 205.562500 MB of memory in use. ENERGY: 2401400 799.8811 2169.7330 1977.9480 117.2480 -205425.2929 17307.7663 0.0000 0.0000 34150.3644 -148902.3522 298.2436 -183052.7166 -148819.3562 299.8766 -230.3620 -200.5390 558933.7467 4.6340 4.6498 PRESSURE: 2401600 -105.554 30.684 -156.456 30.685 -146.675 143.058 -156.456 143.059 -60.6647 GPRESSURE: 2401600 -76.8924 45.1709 -95.2621 112.411 -102.02 39.0955 -91.9749 176.346 -29.5444 PRESSAVG: 2401600 1.29007 1.77876 -22.0389 1.77869 -9.07894 22.1726 -22.0389 22.1724 1.70099 GPRESSAVG: 2401600 1.86477 3.70367 -21.145 0.333591 -10.1324 21.3605 -21.5542 20.934 2.41033 TIMING: 2401600 CPU: 7153.86, 0.00299588/step Wall: 7153.86, 0.00299588/step, 2.16236 hours remaining, 205.562500 MB of memory in use. ENERGY: 2401600 718.6225 2198.8799 1946.4713 122.4078 -205576.5460 17499.6941 0.0000 0.0000 34091.6273 -148998.8431 297.7307 -183090.4704 -148911.0854 299.5944 -104.2978 -69.4855 559161.1022 -2.0293 -1.9524 PRESSURE: 2401800 -26.613 -2.88105 145.389 -2.88114 129.329 9.37107 145.388 9.37004 1.21465 GPRESSURE: 2401800 40.9139 -28.7959 175.238 -18.6908 136.657 4.3485 48.4917 64.7158 23.7127 PRESSAVG: 2401800 36.2332 24.85 -25.2118 24.85 81.7221 -6.83069 -25.2118 -6.83069 -43.2472 GPRESSAVG: 2401800 36.0645 24.705 -24.2965 23.6719 82.6618 -6.3563 -26.9331 -6.47926 -43.8167 TIMING: 2401800 CPU: 7154.46, 0.00298644/step Wall: 7154.46, 0.00298644/step, 2.15538 hours remaining, 205.562500 MB of memory in use. ENERGY: 2401800 758.4300 2095.3196 1916.1870 102.2312 -206163.4361 17958.5894 0.0000 0.0000 34331.5330 -149001.1458 299.8258 -183332.6788 -148915.5286 300.0001 34.6435 67.0945 559383.2906 24.9027 24.9699 PRESSURE: 2402000 -202.37 -49.5081 -19.1032 -49.5088 -321.371 55.2274 -19.1029 55.2272 33.7455 GPRESSURE: 2402000 -145.085 -47.6267 -66.6434 -30.3473 -290.639 110.853 40.2343 90.1887 56.4397 PRESSAVG: 2402000 -6.7803 27.2119 15.5913 27.2118 57.7734 22.5579 15.5914 22.5579 -30.3209 GPRESSAVG: 2402000 -7.19687 25.9769 12.3673 27.6294 58.9516 23.2634 18.4958 23.3407 -30.9549 TIMING: 2402000 CPU: 7155.05, 0.00297854/step Wall: 7155.05, 0.00297854/step, 2.14951 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: 2402000 729.8753 2104.0053 1926.3515 123.3542 -205891.3419 17529.2304 0.0000 0.0000 34341.4651 -149137.0601 299.9126 -183478.5252 -149041.2984 299.3517 -163.3321 -126.4281 558767.0040 6.8907 6.9333 PRESSURE: 2402200 -158.994 93.3583 156.469 93.3578 116.773 -241.158 156.469 -241.159 -36.4491 GPRESSURE: 2402200 -122.377 109.233 153.172 22.2986 168.379 -170.986 171.284 -188.067 -23.4484 PRESSAVG: 2402200 -0.14777 35.4381 65.1949 35.4381 -31.0475 17.7759 65.1949 17.7757 19.134 GPRESSAVG: 2402200 1.22251 36.7798 66.4132 37.0286 -31.9027 18.1503 63.7747 17.4375 18.2823 TIMING: 2402200 CPU: 7155.65, 0.00299274/step Wall: 7155.65, 0.00299274/step, 2.15959 hours remaining, 205.562500 MB of memory in use. ENERGY: 2402200 759.5906 2107.3536 1927.5417 121.5594 -206544.2965 18054.7624 0.0000 0.0000 34451.0237 -149122.4650 300.8694 -183573.4888 -149022.2175 299.5061 -26.2233 7.5179 559165.9605 -4.0204 -4.1326 PRESSURE: 2402400 -172.987 183.389 -33.4598 183.388 111.726 58.2143 -33.4603 58.2143 -239.583 GPRESSURE: 2402400 -142.839 149.605 -57.4038 179.395 157.472 76.0145 -13.0649 -4.62476 -219.721 PRESSAVG: 2402400 -15.5385 -9.84807 14.238 -9.8481 28.0193 51.3386 14.2379 51.3385 -9.64821 GPRESSAVG: 2402400 -16.6934 -11.8433 14.2017 -9.37209 28.1666 50.7284 15.3332 51.1524 -8.50193 TIMING: 2402400 CPU: 7156.25, 0.00299921/step Wall: 7156.25, 0.00299921/step, 2.1641 hours remaining, 205.562500 MB of memory in use. ENERGY: 2402400 762.6678 2050.6579 1939.1283 127.0063 -206149.1972 17818.8053 0.0000 0.0000 34514.3637 -148936.5680 301.4225 -183450.9317 -148831.3183 299.8668 -100.2812 -68.3626 558961.9161 0.9442 0.9904 PRESSURE: 2402600 -180.212 4.5766 -27.7157 4.5761 -154.572 61.7804 -27.7155 61.7798 -65.6693 GPRESSURE: 2402600 -144.498 -66.9661 -6.4821 -17.4162 -169.117 109.465 15.6737 39.039 14.9994 PRESSAVG: 2402600 -9.88678 9.04545 20.7999 9.04554 21.0321 14.3326 20.7998 14.3327 6.20564 GPRESSAVG: 2402600 -10.2829 9.46422 19.9486 9.46736 20.8732 14.4984 21.1928 14.234 7.20654 TIMING: 2402600 CPU: 7156.85, 0.00297224/step Wall: 7156.85, 0.00297224/step, 2.14447 hours remaining, 205.562500 MB of memory in use. ENERGY: 2402600 717.9949 2076.2387 1949.4000 116.0081 -205302.2923 17422.1505 0.0000 0.0000 34211.4917 -148809.0084 298.7775 -183020.5001 -148713.3681 300.3118 -133.4843 -99.5385 559598.4562 5.7836 5.9323 PRESSURE: 2402800 224.999 -29.0435 -17.2902 -29.0445 108.75 99.9876 -17.2916 99.9871 69.2296 GPRESSURE: 2402800 241.043 -72.8711 -66.4329 6.01649 126.946 115.535 -10.0577 96.314 128.293 PRESSAVG: 2402800 26.7326 13.6049 40.1535 13.6049 15.0869 -27.2272 40.1534 -27.2271 -68.1808 GPRESSAVG: 2402800 25.9289 12.55 42.5436 14.0124 15.805 -29.0789 39.7802 -26.3493 -68.2646 TIMING: 2402800 CPU: 7157.44, 0.00297173/step Wall: 7157.44, 0.00297173/step, 2.14394 hours remaining, 205.562500 MB of memory in use. ENERGY: 2402800 736.8077 2108.6063 1935.5482 111.7927 -205924.0546 17879.8899 0.0000 0.0000 34490.9920 -148660.4178 301.2184 -183151.4098 -148567.0028 300.7226 134.3262 165.4274 556940.5783 -8.7871 -8.8436 PRESSURE: 2403000 48.3758 43.8824 3.28758 43.8825 95.3445 15.1248 3.28729 15.1241 -155.507 GPRESSURE: 2403000 102.79 -10.1502 26.6513 161.15 106.649 102.483 -0.747321 -10.3119 -128.839 PRESSAVG: 2403000 35.4648 -3.5084 -51.0338 -3.50835 -25.8791 7.59289 -51.0338 7.59282 -6.54117 GPRESSAVG: 2403000 38.2079 -1.98719 -51.0103 -3.54414 -27.4638 8.15702 -51.8998 7.70624 -7.74697 TIMING: 2403000 CPU: 7158.04, 0.00299131/step Wall: 7158.04, 0.00299131/step, 2.1579 hours remaining, 205.562500 MB of memory in use. ENERGY: 2403000 725.2937 2056.6705 1965.2684 104.1140 -205819.6345 17733.6493 0.0000 0.0000 34602.8166 -148631.8219 302.1950 -183234.6386 -148530.6385 300.8971 -3.9288 26.8669 558191.9723 1.0148 0.9991 PRESSURE: 2403200 -80.3244 -3.06149 -111.258 -3.06262 -24.9288 -25.662 -111.258 -25.6612 -6.38247 GPRESSURE: 2403200 -47.2277 -82.2054 -110.716 60.9723 -54.0815 75.1818 -82.7215 -40.3703 77.4007 PRESSAVG: 2403200 66.0113 2.24773 -39.5609 2.24774 -23.8901 12.9564 -39.5609 12.9564 8.86327 GPRESSAVG: 2403200 65.169 0.97959 -41.3894 2.6014 -22.4666 13.9171 -37.8828 13.462 8.44515 TIMING: 2403200 CPU: 7158.64, 0.00298519/step Wall: 7158.64, 0.00298519/step, 2.15332 hours remaining, 205.562500 MB of memory in use. ENERGY: 2403200 723.4171 2082.1859 1940.9652 115.9847 -205900.6633 17766.8857 0.0000 0.0000 34449.5252 -148821.6994 300.8563 -183271.2247 -148722.6172 301.2529 -37.2119 -7.9695 559205.1573 16.9948 17.0492 PRESSURE: 2403400 -184.594 -50.1698 45.8806 -50.1689 86.2615 -16.1127 45.88 -16.1131 173.099 GPRESSURE: 2403400 -157.112 -73.0469 2.98772 -36.0783 144.661 74.4719 6.78911 -23.0273 192.876 PRESSAVG: 2403400 -18.8737 1.92161 11.7822 1.92158 1.08296 28.5355 11.7821 28.5355 -16.4293 GPRESSAVG: 2403400 -18.5238 3.59516 13.6717 -0.230687 0.71775 27.5891 8.80917 28.5993 -15.8335 TIMING: 2403400 CPU: 7159.23, 0.00298042/step Wall: 7159.23, 0.00298042/step, 2.14971 hours remaining, 205.562500 MB of memory in use. ENERGY: 2403400 733.1213 2024.5730 1970.9775 98.0170 -205928.3194 17993.7181 0.0000 0.0000 34182.2398 -148925.6728 298.5220 -183107.9126 -148828.9635 299.7449 24.9224 60.1413 560609.4956 -11.4067 -11.2132 PRESSURE: 2403600 -42.6421 31.7971 17.5819 31.7967 -222.936 129.113 17.5817 129.113 -150.449 GPRESSURE: 2403600 -79.7285 -35.1301 23.4386 65.6613 -169.034 107.135 16.2803 162.437 -79.822 PRESSAVG: 2403600 2.89965 35.1596 47.4992 35.1596 -51.6231 21.4 47.4993 21.3999 56.4314 GPRESSAVG: 2403600 2.97872 34.0869 45.599 36.5137 -52.1185 21.7761 48.9694 20.4114 57.5234 TIMING: 2403600 CPU: 7159.83, 0.00296871/step Wall: 7159.83, 0.00296871/step, 2.1411 hours remaining, 205.562500 MB of memory in use. ENERGY: 2403600 742.5248 2101.6492 1921.9440 121.9171 -205618.9343 17638.2689 0.0000 0.0000 34235.1038 -148857.5265 298.9837 -183092.6303 -148767.4778 300.2223 -138.6757 -109.5282 558682.7996 2.5693 2.7945 PRESSURE: 2403800 -96.2264 -99.4235 -7.58503 -99.4231 -343.743 -65.8581 -7.58424 -65.8584 -76.4175 GPRESSURE: 2403800 -75.8898 -119.435 -34.9202 -61.6195 -313.054 -69.8872 -8.49623 -19.7674 -39.9987 PRESSAVG: 2403800 -0.705899 34.1749 77.936 34.1749 -88.1295 -15.4104 77.936 -15.4104 55.3339 GPRESSAVG: 2403800 -0.287229 35.8332 79.2742 34.0674 -88.6727 -14.7595 75.9436 -16.0448 55.7804 TIMING: 2403800 CPU: 7160.42, 0.00298837/step Wall: 7160.42, 0.00298837/step, 2.15511 hours remaining, 205.562500 MB of memory in use. ENERGY: 2403800 720.0160 2098.0780 1950.3994 112.5023 -205920.9993 17635.6741 0.0000 0.0000 34315.4607 -149088.8688 299.6855 -183404.3295 -148990.3663 300.2659 -172.1291 -142.9809 558917.5509 -11.1672 -11.0598 PRESSURE: 2404000 48.6836 -54.0258 -158.414 -54.0257 117.511 99.0859 -158.413 99.087 289.992 GPRESSURE: 2404000 79.8825 -82.4879 -131.093 -58.7904 126.354 42.5073 -110.606 187.725 342.155 PRESSAVG: 2404000 4.5594 -10.9447 62.0357 -10.9448 -69.7078 5.31289 62.0356 5.31291 19.0645 GPRESSAVG: 2404000 3.97809 -13.2224 60.2168 -10.3861 -68.5224 5.33255 63.8133 5.71535 18.4237 TIMING: 2404000 CPU: 7161.03, 0.00300658/step Wall: 7161.03, 0.00300657/step, 2.16807 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: 2404000 723.9482 2070.0570 1951.4732 104.3352 -206140.7550 17878.2074 0.0000 0.0000 34396.4344 -149016.2995 300.3926 -183412.7339 -148925.8389 299.6479 152.0621 182.7970 555957.2856 -15.3613 -15.3735 PRESSURE: 2404200 -187.542 -48.1083 57.5797 -48.1085 -45.1738 -12.5545 57.581 -12.5535 -70.2471 GPRESSURE: 2404200 -113.492 -97.3947 25.2323 42.1312 -59.8441 -24.3734 96.6282 33.5725 -23.2173 PRESSAVG: 2404200 11.4952 15.1541 -22.7712 15.1542 -56.3923 0.888776 -22.7712 0.888761 78.5904 GPRESSAVG: 2404200 10.866 14.964 -22.3178 14.3737 -55.2402 0.776131 -22.7373 0.732992 78.7641 TIMING: 2404200 CPU: 7161.62, 0.00297393/step Wall: 7161.62, 0.00297393/step, 2.14437 hours remaining, 205.562500 MB of memory in use. ENERGY: 2404200 746.8204 2076.7562 1939.5572 108.5575 -205709.0354 17593.8671 0.0000 0.0000 34297.9821 -148945.4949 299.5328 -183243.4770 -148854.9133 300.2093 -100.9876 -65.5179 559152.5114 11.2311 11.4633 LDB: ============= START OF LOAD BALANCING ============== 7165.05 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7165.05 LDB: =============== DONE WITH MIGRATION ================ 7165.05 LDB: ============= START OF LOAD BALANCING ============== 7165.35 LDB: Largest compute 4821 load 0.026858 is 22.7% of average load 0.118057 LDB: Average compute 0.001712 is 1.5% of average load 0.118057 LDB: TIME 7165.35 LOAD: AVG 0.118057 MAX 0.204939 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 7165.35 LOAD: AVG 0.118057 MAX 0.204939 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.137 MB LDB: TIME 7165.35 LOAD: AVG 0.118057 MAX 0.204939 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.137 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7165.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7165.36 PRESSURE: 2404400 -192.223 117.555 -16.4316 117.555 76.1546 100.637 -16.4311 100.638 -274.298 GPRESSURE: 2404400 -180.054 125.335 97.857 141.597 133.018 38.8028 -61.5873 208.323 -239.602 PRESSAVG: 2404400 34.4406 19.9373 -0.105385 19.9373 -62.4459 -13.0859 -0.105503 -13.0859 35.7988 GPRESSAVG: 2404400 35.54 22.7921 0.561151 19.7317 -63.3262 -14.0136 -0.0807918 -12.2285 35.2885 TIMING: 2404400 CPU: 7162.23, 0.00302944/step Wall: 7162.23, 0.00302944/step, 2.18423 hours remaining, 206.453125 MB of memory in use. ENERGY: 2404400 704.3115 2088.8708 1935.4666 115.1598 -205582.5780 17519.2763 0.0000 0.0000 34218.4142 -149001.0788 298.8379 -183219.4930 -148901.6215 299.6424 -130.1221 -95.5459 560901.3617 2.5978 2.5008 PRESSURE: 2404600 12.0179 184.644 -38.0771 184.645 1.68933 -107.408 -38.0775 -107.407 -49.4273 GPRESSURE: 2404600 24.8679 186.65 -87.0606 179.548 -19.9425 -72.4546 -2.84431 -76.1842 58.2644 PRESSAVG: 2404600 18.1112 10.131 -28.5812 10.131 19.032 -11.2177 -28.5812 -11.2177 3.96946 GPRESSAVG: 2404600 17.9934 8.86622 -28.9597 9.63024 18.151 -9.19752 -28.5023 -12.7879 4.94333 TIMING: 2404600 CPU: 7162.82, 0.00297957/step Wall: 7162.82, 0.00297957/step, 2.14811 hours remaining, 206.453125 MB of memory in use. ENERGY: 2404600 755.4076 2050.5290 1971.4589 118.2174 -206166.9429 17860.4632 0.0000 0.0000 34519.2114 -148891.6555 301.4649 -183410.8669 -148793.8784 299.9334 -11.9067 21.0633 558420.5849 13.7042 13.6959 PRESSURE: 2404800 -77.5084 148.444 51.3994 148.442 -104.471 22.3252 51.3998 22.3261 -64.1239 GPRESSURE: 2404800 -109.535 153.466 50.6008 117.753 -67.9819 18.4115 90.8371 50.3407 19.9722 PRESSAVG: 2404800 -12.693 -24.402 -72.2119 -24.4019 15.1256 18.5483 -72.2119 18.5483 -15.1053 GPRESSAVG: 2404800 -12.9949 -23.0615 -73.398 -24.093 15.2919 18.4153 -72.9237 16.4094 -15.0526 TIMING: 2404800 CPU: 7163.42, 0.00298242/step Wall: 7163.42, 0.00298242/step, 2.14999 hours remaining, 206.453125 MB of memory in use. ENERGY: 2404800 746.4002 2110.3649 1949.8769 113.6676 -205941.1052 17579.0276 0.0000 0.0000 34526.4880 -148915.2799 301.5284 -183441.7679 -148820.9097 300.4180 -82.0345 -52.5148 557699.2891 -4.2243 -4.2519 PRESSURE: 2405000 235.562 -123.479 90.1707 -123.479 -26.1965 -148.716 90.1701 -148.715 -88.0734 GPRESSURE: 2405000 259.999 -94.6488 67.2674 -61.5735 36.2519 -210.743 136.508 -113.841 -75.1098 PRESSAVG: 2405000 -22.6822 22.585 1.22787 22.5851 6.12069 23.6002 1.22781 23.6002 1.85935 GPRESSAVG: 2405000 -21.4926 23.8631 1.48522 21.3551 5.07258 24.286 2.15265 24.2583 2.07319 TIMING: 2405000 CPU: 7164.01, 0.00297248/step Wall: 7164.01, 0.00297248/step, 2.14266 hours remaining, 206.453125 MB of memory in use. ENERGY: 2405000 714.9008 2085.5845 1931.8510 102.0029 -206039.3480 17751.3506 0.0000 0.0000 34428.7613 -149024.8969 300.6749 -183453.6582 -148923.7619 300.6680 40.4306 73.7136 557294.6556 -4.9007 -4.7823 PRESSURE: 2405200 -2.78297 -30.3102 164.74 -30.3097 -190.464 -35.7689 164.739 -35.7692 -64.2786 GPRESSURE: 2405200 81.8558 -92.7897 133.294 92.2988 -160.691 -76.3219 173.308 -7.28824 -67.4704 PRESSAVG: 2405200 5.887 -40.0554 62.8257 -40.0555 -33.9907 -8.5488 62.8257 -8.54888 20.9022 GPRESSAVG: 2405200 6.96272 -41.3802 62.6871 -38.4145 -33.2376 -11.3344 61.8227 -8.03005 19.4169 TIMING: 2405200 CPU: 7164.61, 0.0029981/step Wall: 7164.61, 0.0029981/step, 2.16097 hours remaining, 206.453125 MB of memory in use. ENERGY: 2405200 759.8622 2092.3649 1955.0858 106.9764 -206022.9600 17762.1671 0.0000 0.0000 34456.2601 -148890.2436 300.9151 -183346.5036 -148793.5205 300.0899 -85.8418 -48.7686 558286.3653 -2.4005 -2.2860 PRESSURE: 2405400 -161.428 143.552 38.4809 143.552 -64.3695 45.3445 38.4803 45.3452 145.251 GPRESSURE: 2405400 -128.202 273.787 15.077 78.4221 14.6847 -12.7424 145.858 94.9667 140.907 PRESSAVG: 2405400 3.56877 8.38035 56.6093 8.38034 -18.3605 -7.52932 56.6093 -7.52923 11.4083 GPRESSAVG: 2405400 2.84284 9.73988 56.806 5.57965 -17.5196 -4.96938 58.0321 -7.54127 11.4659 TIMING: 2405400 CPU: 7165.21, 0.00296524/step Wall: 7165.21, 0.00296524/step, 2.13712 hours remaining, 206.453125 MB of memory in use. ENERGY: 2405400 751.1613 2115.5999 1931.6949 112.4168 -205779.4512 17609.7558 0.0000 0.0000 34414.5228 -148844.2996 300.5506 -183258.8225 -148745.5406 300.5866 -26.8491 9.1301 556993.3914 -1.1278 -1.0703 PRESSURE: 2405600 -44.5061 139.018 15.474 139.02 -191.257 -150.631 15.4756 -150.633 -53.9717 GPRESSURE: 2405600 -36.2362 147.028 35.534 76.2034 -167.568 -151.093 -19.0444 -84.0045 15.5818 PRESSAVG: 2405600 10.6893 26.0483 -21.5062 26.0482 -42.511 -4.63458 -21.5063 -4.63463 77.7721 GPRESSAVG: 2405600 10.2382 21.1194 -23.1905 27.7423 -41.7404 -6.45173 -21.028 -4.7151 77.3442 TIMING: 2405600 CPU: 7165.81, 0.00300739/step Wall: 7165.81, 0.00300739/step, 2.16733 hours remaining, 206.453125 MB of memory in use. ENERGY: 2405600 754.4249 2122.5852 1942.1851 112.8923 -206077.3748 17616.9651 0.0000 0.0000 34464.5078 -149063.8144 300.9871 -183528.3222 -148966.5416 300.1161 -96.5784 -62.7410 556950.4356 15.3168 15.2807 PRESSURE: 2405800 35.6777 139.429 -24.3268 139.43 8.91055 -117.012 -24.3272 -117.009 76.9233 GPRESSURE: 2405800 108.944 150.818 -128.763 166.356 28.5984 -135.177 7.23975 -35.8662 79.6498 PRESSAVG: 2405800 17.1724 38.7159 -36.282 38.7159 -45.8721 -14.7702 -36.282 -14.7703 22.2253 GPRESSAVG: 2405800 16.137 41.5691 -34.5846 38.2619 -45.7849 -13.037 -37.4302 -14.5528 23.1631 TIMING: 2405800 CPU: 7166.41, 0.00300928/step Wall: 7166.41, 0.00300928/step, 2.16852 hours remaining, 206.453125 MB of memory in use. ENERGY: 2405800 730.8093 2085.5016 1962.4849 122.1906 -206059.1808 17627.1127 0.0000 0.0000 34506.4543 -149024.6273 301.3534 -183531.0816 -148933.1405 299.6705 40.5038 72.3973 555747.0207 -2.1581 -2.1616 PRESSURE: 2406000 -316.431 -13.2249 24.9419 -13.2259 -295.057 64.3588 24.942 64.3598 5.37683 GPRESSURE: 2406000 -248.887 -3.22536 0.0719109 -10.1399 -304.929 25.4674 64.0332 176.731 49.8366 PRESSAVG: 2406000 -11.5162 34.9415 27.0359 34.9415 6.27199 -23.4434 27.0359 -23.4435 4.46928 GPRESSAVG: 2406000 -9.99874 35.5673 27.4588 35.7351 3.91976 -23.8485 25.6265 -23.424 4.71423 TIMING: 2406000 CPU: 7167.01, 0.00299231/step Wall: 7167.01, 0.00299231/step, 2.15612 hours remaining, 206.453125 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: 2406000 757.8191 2038.0673 1947.3640 107.5202 -205466.2256 17414.8111 0.0000 0.0000 34351.5427 -148849.1012 300.0006 -183200.6439 -148750.9018 300.0414 -202.0370 -167.9932 558934.9598 -0.2583 -0.4549 PRESSURE: 2406200 -164.562 -149.517 119.683 -149.518 166.633 23.8713 119.683 23.8678 -30.9455 GPRESSURE: 2406200 -120.909 -195.84 81.3252 -148.803 174.553 9.63496 133.087 -8.45527 9.87067 PRESSAVG: 2406200 -40.9527 -22.0851 73.693 -22.0851 94.2001 13.7398 73.6929 13.7399 -9.31174 GPRESSAVG: 2406200 -42.2965 -22.9133 72.431 -21.8407 94.6275 10.3154 75.795 14.4939 -8.87613 TIMING: 2406200 CPU: 7167.61, 0.00301213/step Wall: 7167.61, 0.00301213/step, 2.17024 hours remaining, 206.453125 MB of memory in use. ENERGY: 2406200 787.1175 2111.0494 1943.6566 111.8708 -205859.7187 17863.9371 0.0000 0.0000 34071.2055 -148970.8817 297.5523 -183042.0873 -148880.6396 299.8272 -9.6250 21.1715 558259.9504 14.6452 14.4849 PRESSURE: 2406400 47.5778 8.65239 66.7307 8.65357 -103.049 -63.0827 66.7312 -63.0822 -241.291 GPRESSURE: 2406400 65.1695 76.219 167.012 -25.2012 -88.9117 2.37412 84.9276 -148.354 -168.635 PRESSAVG: 2406400 -71.8922 -26.8694 60.5077 -26.8694 64.5104 -2.82867 60.5078 -2.82871 18.6577 GPRESSAVG: 2406400 -70.6188 -25.4606 61.8902 -27.4725 64.4874 0.0320689 59.7145 -4.19407 17.5944 TIMING: 2406400 CPU: 7168.21, 0.00300151/step Wall: 7168.21, 0.00300151/step, 2.16242 hours remaining, 206.453125 MB of memory in use. ENERGY: 2406400 735.6313 2093.0774 1972.2534 124.4339 -205811.0951 17553.6743 0.0000 0.0000 34271.7780 -149060.2468 299.3040 -183332.0247 -148960.4778 299.9995 -98.9209 -64.1259 558116.4502 3.7586 3.8210 PRESSURE: 2406600 -81.8753 143.654 11.5016 143.654 -151.631 32.0608 11.5017 32.0621 -154.259 GPRESSURE: 2406600 -80.7795 67.4641 -106.768 110.704 -138.006 66.5291 12.5775 -7.90504 -58.1469 PRESSAVG: 2406600 40.6541 33.8696 -13.469 33.8695 26.1703 22.2348 -13.4689 22.2348 -26.3987 GPRESSAVG: 2406600 41.1951 31.4018 -12.501 35.154 25.9236 21.3057 -16.2764 23.5812 -26.6335 TIMING: 2406600 CPU: 7168.8, 0.00297404/step Wall: 7168.8, 0.00297404/step, 2.14247 hours remaining, 206.453125 MB of memory in use. ENERGY: 2406600 756.4641 2124.9501 1969.7904 124.2395 -205857.0877 17488.4928 0.0000 0.0000 34168.2334 -149224.9173 298.3997 -183393.1507 -149125.5080 299.9967 -129.2553 -92.3107 556287.7062 13.4753 13.4951 PRESSURE: 2406800 -192.449 42.6873 17.0283 42.6875 -210.286 175.524 17.0279 175.524 70.8956 GPRESSURE: 2406800 -126.836 101.664 -43.3263 80.5086 -177.241 211.841 71.1375 169.469 61.0426 PRESSAVG: 2406800 38.0597 -19.0799 56.3201 -19.0799 -61.4514 -15.3976 56.32 -15.3976 32.9392 GPRESSAVG: 2406800 37.6301 -17.6479 55.7662 -20.4225 -60.964 -14.5612 60.7195 -14.3266 32.991 TIMING: 2406800 CPU: 7169.4, 0.00297247/step Wall: 7169.4, 0.00297247/step, 2.14117 hours remaining, 206.453125 MB of memory in use. ENERGY: 2406800 755.7734 2034.6115 1961.4002 106.8508 -206081.0280 17582.5224 0.0000 0.0000 34268.3397 -149371.5299 299.2739 -183639.8697 -149272.1292 299.4380 -110.6129 -81.0116 556734.9524 3.1825 3.2191 PRESSURE: 2407000 -22.8676 -28.925 -50.4743 -28.9258 -124.483 55.0984 -50.4736 55.0981 134.277 GPRESSURE: 2407000 -21.343 -3.56519 -40.1451 -22.9391 -46.4077 25.8947 -19.1069 2.26206 149.203 PRESSAVG: 2407000 -34.4774 -72.9109 51.8895 -72.9108 -25.8075 13.5409 51.8894 13.5407 49.6026 GPRESSAVG: 2407000 -34.851 -73.3106 50.9289 -69.4179 -24.7755 11.3394 49.6135 11.542 48.7461 TIMING: 2407000 CPU: 7170, 0.00300264/step Wall: 7170, 0.00300264/step, 2.16274 hours remaining, 206.453125 MB of memory in use. ENERGY: 2407000 764.4603 2095.7383 1948.8642 110.5777 -206198.6703 17874.2109 0.0000 0.0000 34303.8440 -149100.9749 299.5840 -183404.8189 -149005.2287 299.0910 -4.3581 27.1508 556639.8267 -3.5608 -3.6268 PRESSURE: 2407200 43.0166 -223.283 -41.7114 -223.282 -94.5599 216.277 -41.7102 216.277 147.541 GPRESSURE: 2407200 83.4445 -243.824 12.2315 -289.548 -21.8067 227.463 -84.2567 152.803 126.364 PRESSAVG: 2407200 22.1096 -51.828 27.079 -51.828 -102.996 36.3679 27.079 36.3679 70.2665 GPRESSAVG: 2407200 22.7915 -51.4591 28.5448 -53.8178 -104.644 37.2051 26.1454 37.5381 71.0879 TIMING: 2407200 CPU: 7170.59, 0.00297271/step Wall: 7170.59, 0.00297271/step, 2.14101 hours remaining, 206.453125 MB of memory in use. ENERGY: 2407200 778.5626 2086.8299 1970.1579 121.3162 -206346.8427 17945.6285 0.0000 0.0000 34271.0743 -149173.2734 299.2978 -183444.3476 -149079.6907 299.2693 31.9993 62.6673 556705.8760 -3.5401 -3.5881 PRESSURE: 2407400 4.70691 -20.6202 -30.4629 -20.6193 -33.6745 -71.1564 -30.4623 -71.1563 -29.1063 GPRESSURE: 2407400 34.9042 -12.836 -60.9683 -84.7277 7.07806 -76.8358 36.2448 -65.1657 -5.55204 PRESSAVG: 2407400 21.856 -56.4135 35.2583 -56.4135 6.88748 90.2983 35.2585 90.2984 26.9753 GPRESSAVG: 2407400 20.7543 -54.5394 34.7675 -57.6206 7.72348 91.4286 37.2708 90.3988 26.9631 TIMING: 2407400 CPU: 7171.18, 0.00295353/step Wall: 7171.18, 0.00295353/step, 2.12704 hours remaining, 206.453125 MB of memory in use. ENERGY: 2407400 780.4271 2135.1415 2004.5966 121.8336 -206222.3552 17838.4191 0.0000 0.0000 34511.6951 -148830.2422 301.3992 -183341.9373 -148733.5329 300.1066 -19.3580 12.1434 556817.9919 18.5729 18.4803 PRESSURE: 2407600 110.41 22.3068 -13.1207 22.3075 -181.111 -46.3526 -13.1209 -46.3534 276.15 GPRESSURE: 2407600 84.825 13.6444 -49.2717 105.277 -106.958 -155.202 7.60738 -71.8039 317.301 PRESSAVG: 2407600 -13.5046 -0.774034 22.0808 -0.774105 -4.76954 5.54459 22.0807 5.54459 11.8964 GPRESSAVG: 2407600 -11.9035 -2.54746 21.4035 -0.449083 -5.40856 4.30366 21.3081 4.54244 11.4278 TIMING: 2407600 CPU: 7171.78, 0.00297657/step Wall: 7171.78, 0.00297657/step, 2.14346 hours remaining, 206.453125 MB of memory in use. ENERGY: 2407600 741.3198 2112.7588 1973.8261 116.4506 -206394.7497 17876.9883 0.0000 0.0000 34523.6619 -149049.7442 301.5037 -183573.4062 -148950.0563 300.3747 68.4831 98.3892 557116.0517 -2.1259 -1.9614 PRESSURE: 2407800 41.9406 -98.8529 49.0668 -98.8538 -136.013 -52.1538 49.0679 -52.1539 -146.98 GPRESSURE: 2407800 17.6284 -93.1561 38.2825 -155.716 -95.1918 -1.19249 23.2817 -23.6082 -62.2169 PRESSAVG: 2407800 10.6694 65.0118 -23.4383 65.0118 -48.033 13.4828 -23.4382 13.4829 13.0386 GPRESSAVG: 2407800 9.47078 66.2755 -22.7168 64.6517 -47.6101 15.0486 -22.0299 12.6835 13.4523 TIMING: 2407800 CPU: 7172.38, 0.00297961/step Wall: 7172.38, 0.00297961/step, 2.14549 hours remaining, 206.453125 MB of memory in use. ENERGY: 2407800 734.6975 2142.2154 1949.6482 103.4225 -205913.2499 17604.7653 0.0000 0.0000 34550.4770 -148828.0239 301.7379 -183378.5009 -148735.1077 300.7680 -80.3506 -46.5934 558675.1394 -8.1083 -8.2290 PRESSURE: 2408000 -211.991 133.243 -84.7946 133.244 -194.796 14.9784 -84.7954 14.9772 -300.447 GPRESSURE: 2408000 -159.607 168.008 -168.918 54.7288 -193.268 130.813 -98.1386 -90.4885 -253.061 PRESSAVG: 2408000 5.25751 18.8053 -12.795 18.8053 -25.6289 19.0356 -12.795 19.0356 34.3124 GPRESSAVG: 2408000 4.85521 16.0843 -13.6303 21.049 -26.428 18.9344 -14.0626 19.7156 35.3578 TIMING: 2408000 CPU: 7172.97, 0.0029887/step Wall: 7172.97, 0.0029887/step, 2.15186 hours remaining, 206.453125 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: 2408000 743.9636 2144.8317 1951.6006 118.5607 -205639.6446 17547.3779 0.0000 0.0000 34185.0153 -148948.2948 298.5462 -183133.3101 -148851.8708 299.8102 -235.7449 -201.9788 560400.9003 4.6470 4.5950 PRESSURE: 2408200 -108.339 68.1868 -3.64798 68.1864 22.6426 -70.3446 -3.64749 -70.3452 -103.781 GPRESSURE: 2408200 -110.163 91.1366 -67.2142 74.8611 99.0838 -48.9873 64.809 -84.3978 -95.1813 PRESSAVG: 2408200 29.3582 59.6857 -1.68864 59.6856 -37.2465 -14.4025 -1.68863 -14.4025 23.2183 GPRESSAVG: 2408200 30.6501 63.234 -2.37112 58.2352 -36.744 -14.3598 -0.556368 -15.0978 20.9958 TIMING: 2408200 CPU: 7173.57, 0.00298994/step Wall: 7173.57, 0.00298994/step, 2.15259 hours remaining, 206.453125 MB of memory in use. ENERGY: 2408200 778.5049 2104.2371 1924.5490 119.7969 -205771.8941 17791.2486 0.0000 0.0000 34219.7630 -148833.7946 298.8497 -183053.5576 -148742.6136 299.8535 -63.1592 -35.4200 560403.8625 5.1100 4.9673 LDB: ============= START OF LOAD BALANCING ============== 7177 LDB: ============== END OF LOAD BALANCING =============== 7177 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7177 LDB: ============= START OF LOAD BALANCING ============== 7177.31 LDB: Largest compute 4821 load 0.025467 is 21.6% of average load 0.118073 LDB: Average compute 0.001719 is 1.5% of average load 0.118073 LDB: TIME 7177.31 LOAD: AVG 0.118073 MAX 0.203913 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.742 MB LDB: TIME 7177.31 LOAD: AVG 0.118073 MAX 0.203913 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.812 MB LDB: TIME 7177.31 LOAD: AVG 0.118073 MAX 0.203913 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.812 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7177.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7177.32 PRESSURE: 2408400 -94.2107 -34.4351 95.3124 -34.4341 136.037 96.2747 95.3129 96.2742 55.3739 GPRESSURE: 2408400 -45.4878 -94.3945 98.9769 14.1103 147.891 109.466 59.2467 74.9419 83.8704 PRESSAVG: 2408400 -60.386 33.2248 -20.375 33.2248 -21.5877 36.9545 -20.375 36.9546 35.8718 GPRESSAVG: 2408400 -61.6073 30.3831 -19.0533 32.6207 -22.6736 35.5565 -23.0768 38.563 37.7477 TIMING: 2408400 CPU: 7174.19, 0.0030762/step Wall: 7174.19, 0.0030762/step, 2.21452 hours remaining, 205.941406 MB of memory in use. ENERGY: 2408400 746.4600 2112.3569 1954.6417 112.0753 -205662.5933 17628.7040 0.0000 0.0000 34152.6328 -148955.7227 298.2634 -183108.3555 -148855.9158 299.4121 32.4001 62.0911 557980.3131 -15.3673 -15.5111 PRESSURE: 2408600 64.0799 153.043 14.1125 153.043 14.305 -73.0448 14.1126 -73.0451 30.299 GPRESSURE: 2408600 58.8295 122.953 -32.017 84.9145 28.184 -102.17 41.5569 -13.624 99.3112 PRESSAVG: 2408600 -43.0496 7.21855 35.1227 7.2186 -8.92485 14.5615 35.1228 14.5615 52.0772 GPRESSAVG: 2408600 -41.9842 8.12316 35.4711 7.42023 -8.90195 15.1483 37.0124 14.8717 50.4749 TIMING: 2408600 CPU: 7174.79, 0.00301035/step Wall: 7174.79, 0.00301035/step, 2.16695 hours remaining, 206.140625 MB of memory in use. ENERGY: 2408600 737.2594 2090.9592 1930.5489 115.2859 -205757.9506 17731.8678 0.0000 0.0000 34318.0511 -148833.9784 299.7081 -183152.0295 -148744.3526 300.0886 36.2279 62.1082 557409.7596 0.0342 -0.1371 PRESSURE: 2408800 -82.3048 -11.5392 61.6071 -11.5396 -358.122 124.28 61.6079 124.281 -381.897 GPRESSURE: 2408800 -16.8709 -86.7485 37.2054 51.4459 -351.921 -3.39481 54.2841 128.455 -355.521 PRESSAVG: 2408800 -42.3745 28.0978 39.3463 28.0978 8.0491 52.1294 39.3464 52.1293 72.531 GPRESSAVG: 2408800 -42.2304 27.9844 41.938 28.2825 8.22994 54.6923 37.5607 50.8497 72.5686 TIMING: 2408800 CPU: 7175.39, 0.00302655/step Wall: 7175.39, 0.00302655/step, 2.17845 hours remaining, 206.140625 MB of memory in use. ENERGY: 2408800 711.6329 2100.3361 1941.1722 110.6195 -204922.9964 17125.2192 0.0000 0.0000 34084.4786 -148849.5379 297.6682 -182934.0165 -148753.4300 298.9457 -274.1080 -241.4377 560716.0688 12.7352 12.8561 PRESSURE: 2409000 59.1649 -10.1428 236.453 -10.1426 -77.6481 -142.109 236.454 -142.109 -78.1822 GPRESSURE: 2409000 54.3707 -78.513 229.449 12.1816 -17.2203 -131.043 201.792 -115.25 -41.7495 PRESSAVG: 2409000 -51.2824 25.2233 26.6908 25.2233 21.1915 -3.44518 26.6907 -3.44511 32.5598 GPRESSAVG: 2409000 -52.957 24.3197 25.3746 26.7425 21.1029 -4.21982 27.2919 -3.94516 34.1945 TIMING: 2409000 CPU: 7175.99, 0.00298826/step Wall: 7175.99, 0.00298826/step, 2.15072 hours remaining, 206.140625 MB of memory in use. ENERGY: 2409000 723.3840 2066.3271 1948.5453 121.0565 -205867.4412 17844.6007 0.0000 0.0000 34229.5552 -148933.9724 298.9352 -183163.5276 -148841.8322 299.2185 -32.2218 -1.5331 559703.0386 0.8230 0.7801 PRESSURE: 2409200 -67.6029 16.678 -65.1984 16.6785 -251.212 -191.398 -65.1987 -191.397 -214.895 GPRESSURE: 2409200 -31.9853 53.2063 35.2316 -24.6413 -193.55 -195.293 -202.56 -246.891 -220.666 PRESSAVG: 2409200 -48.7793 -1.2128 19.6689 -1.21291 16.7827 -10.2657 19.6689 -10.2655 28.1719 GPRESSAVG: 2409200 -48.3475 -0.0536246 20.2618 -3.20001 17.4639 -10.0552 17.7785 -10.8866 26.8306 TIMING: 2409200 CPU: 7176.59, 0.00298891/step Wall: 7176.59, 0.00298891/step, 2.15102 hours remaining, 206.140625 MB of memory in use. ENERGY: 2409200 712.0656 2079.0109 1946.2166 116.7252 -206036.8534 17595.8730 0.0000 0.0000 34481.5209 -149105.4412 301.1357 -183586.9620 -149008.8587 300.3561 -177.9034 -148.7338 559483.3200 -1.2749 -1.3510 PRESSURE: 2409400 -109.91 -221.35 89.9273 -221.35 -217.983 69.9512 89.9259 69.9497 252.46 GPRESSURE: 2409400 -54.4701 -253.634 43.2181 -274.35 -207.715 58.8783 4.62805 117.907 278.975 PRESSAVG: 2409400 9.73655 -39.7816 -11.9858 -39.7816 -17.4826 2.72418 -11.9857 2.7241 -14.8438 GPRESSAVG: 2409400 9.5811 -40.4594 -13.7964 -40.3112 -18.9313 0.999165 -9.27001 4.20566 -13.5795 TIMING: 2409400 CPU: 7177.19, 0.00298497/step Wall: 7177.19, 0.00298497/step, 2.14801 hours remaining, 206.140625 MB of memory in use. ENERGY: 2409400 747.2446 2044.9433 1931.6544 119.5573 -205869.3617 17772.8935 0.0000 0.0000 34469.1187 -148783.9499 301.0274 -183253.0686 -148687.6669 300.4915 -25.1445 5.5966 558661.5761 -7.5299 -7.6432 PRESSURE: 2409600 -309.825 65.9286 1.74958 65.9283 -95.7166 110.592 1.75 110.591 -118.124 GPRESSURE: 2409600 -256.62 106.521 -38.686 96.5078 -102.335 -0.822521 2.01145 143.212 -74.446 PRESSAVG: 2409600 40.7415 -17.5677 -32.4984 -17.5678 -9.79341 1.47265 -32.4985 1.47267 12.347 GPRESSAVG: 2409600 41.1252 -17.4015 -31.67 -15.7035 -8.13671 1.86733 -35.2804 2.18755 10.5091 TIMING: 2409600 CPU: 7177.79, 0.00299188/step Wall: 7177.79, 0.00299188/step, 2.15283 hours remaining, 206.140625 MB of memory in use. ENERGY: 2409600 741.8550 2053.6885 1905.4891 102.1512 -205541.3286 17445.1854 0.0000 0.0000 34472.7124 -148820.2471 301.0588 -183292.9594 -148726.3277 300.5003 -174.5552 -144.4668 559393.3457 14.4317 14.4992 PRESSURE: 2409800 38.848 -187.719 -34.1313 -187.72 31.6975 -136.121 -34.1296 -136.121 -212.505 GPRESSURE: 2409800 -16.1369 -255.252 15.5419 -232.463 105.964 -182.023 -44.102 -109.786 -130.135 PRESSAVG: 2409800 -9.14285 -29.4131 42.7664 -29.4132 32.38 -48.9207 42.7664 -48.9208 -8.44297 GPRESSAVG: 2409800 -9.13459 -29.8227 42.9166 -32.1743 31.043 -49.5655 44.8876 -48.392 -7.79586 TIMING: 2409800 CPU: 7178.38, 0.00299018/step Wall: 7178.38, 0.00299018/step, 2.15143 hours remaining, 206.140625 MB of memory in use. ENERGY: 2409800 748.9935 2082.3781 1949.0297 124.2914 -205977.3066 17763.3975 0.0000 0.0000 34485.6660 -148823.5502 301.1719 -183309.2163 -148726.7025 300.3985 -47.3199 -13.4357 558230.1339 4.9314 4.7042 PRESSURE: 2410000 38.4729 -219.856 -56.5116 -219.856 -17.8873 105.244 -56.512 105.243 -223.981 GPRESSURE: 2410000 48.4907 -134.829 51.9396 -269.961 38.1469 40.3565 -179.255 91.6207 -179.922 PRESSAVG: 2410000 4.62335 -6.12074 -55.275 -6.12077 -2.54071 -2.82338 -55.2749 -2.82332 27.1674 GPRESSAVG: 2410000 2.83341 -5.18299 -53.4497 -3.64288 -2.6688 -1.59792 -55.5179 -4.21749 28.9305 TIMING: 2410000 CPU: 7178.98, 0.00299286/step Wall: 7178.98, 0.00299286/step, 2.15319 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: 2410000 772.1736 2122.5172 1932.1350 102.2586 -205987.0399 17807.3913 0.0000 0.0000 34471.1442 -148779.4201 301.0451 -183250.5642 -148685.4969 300.3802 -67.7983 -31.0949 557339.1073 9.7500 9.6984 PRESSURE: 2410200 71.4433 42.2327 -97.9583 42.233 26.3066 239.62 -97.9582 239.62 -116.83 GPRESSURE: 2410200 60.9638 79.0135 -15.9019 18.0781 66.0942 161.244 -101.378 239.718 -47.6639 PRESSAVG: 2410200 -31.6067 -19.6318 -40.6349 -19.6318 45.5633 27.3537 -40.6349 27.3536 3.88543 GPRESSAVG: 2410200 -30.0093 -20.6572 -43.8276 -19.8917 44.9096 27.4763 -39.3003 28.1066 2.63169 TIMING: 2410200 CPU: 7179.58, 0.0029906/step Wall: 7179.58, 0.0029906/step, 2.1514 hours remaining, 206.140625 MB of memory in use. ENERGY: 2410200 745.3631 2091.1785 1943.7976 106.8505 -205699.5450 17681.1406 0.0000 0.0000 34280.6627 -148850.5520 299.3816 -183131.2147 -148748.6351 300.5665 -6.3600 26.4647 557856.5409 5.9473 5.8440 PRESSURE: 2410400 130.195 -41.0943 -70.2336 -41.0952 -160.651 1.17228 -70.2326 1.17441 -71.2667 GPRESSURE: 2410400 169.77 -17.8893 -46.9173 -84.9341 -127.542 56.9998 -19.288 -23.3878 -43.9575 PRESSAVG: 2410400 65.6202 10.3461 -8.71301 10.346 -23.8327 10.6175 -8.71288 10.6176 -70.4032 GPRESSAVG: 2410400 66.2641 9.33764 -8.7088 11.1886 -23.7646 11.6803 -8.70868 9.50188 -70.5285 TIMING: 2410400 CPU: 7180.18, 0.0029775/step Wall: 7180.18, 0.0029775/step, 2.14181 hours remaining, 206.140625 MB of memory in use. ENERGY: 2410400 749.3331 2058.9461 1950.9167 117.7766 -206064.1650 17756.6039 0.0000 0.0000 34493.6403 -148936.9484 301.2415 -183430.5887 -148837.0072 300.2830 -33.9074 -0.5766 558521.3875 -9.5386 -9.3430 PRESSURE: 2410600 45.9819 100.514 -138.945 100.513 -35.3434 60.4028 -138.946 60.4037 -94.7575 GPRESSURE: 2410600 67.6303 104.689 -225.17 34.4621 13.1594 -3.57524 -67.6665 5.01918 -72.4641 PRESSAVG: 2410600 15.3233 2.52136 -15.5746 2.52126 36.194 -27.3245 -15.5746 -27.3245 -63.2332 GPRESSAVG: 2410600 12.9801 3.02314 -16.0647 0.0606661 37.9127 -29.2366 -13.9924 -28.7154 -62.5227 TIMING: 2410600 CPU: 7180.77, 0.00298329/step Wall: 7180.77, 0.00298329/step, 2.14582 hours remaining, 206.140625 MB of memory in use. ENERGY: 2410600 726.7750 2088.3534 1938.2246 119.2750 -205984.0168 17675.8649 0.0000 0.0000 34458.9360 -148976.5879 300.9385 -183435.5239 -148872.9966 300.4549 -28.0397 2.7752 556838.1260 -3.9053 -3.8766 PRESSURE: 2410800 -269.432 31.4276 175.896 31.4296 166.944 75.2062 175.896 75.207 -172.285 GPRESSURE: 2410800 -178.77 56.0828 46.7771 70.2542 158.367 47.8007 149.407 134.419 -151.691 PRESSAVG: 2410800 26.4287 -27.5528 -14.397 -27.5528 36.7633 2.10949 -14.397 2.10956 -9.23274 GPRESSAVG: 2410800 28.0511 -26.0686 -11.8901 -28.636 35.6076 2.0863 -17.2008 5.02817 -9.91755 TIMING: 2410800 CPU: 7181.37, 0.00300454/step Wall: 7181.37, 0.00300454/step, 2.16093 hours remaining, 206.140625 MB of memory in use. ENERGY: 2410800 754.8019 2084.8152 1984.1418 105.4627 -206027.4117 17621.5074 0.0000 0.0000 34452.9515 -149023.7312 300.8862 -183476.6828 -148927.2537 299.7854 -91.5908 -57.3647 556250.9830 17.9864 17.9137 PRESSURE: 2411000 -97.4868 -83.0667 -58.4864 -83.0665 42.7627 69.6884 -58.4878 69.689 90.1649 GPRESSURE: 2411000 -44.4375 -136.704 -143.082 -37.5193 68.0697 5.67835 -38.0618 88.1368 100.351 PRESSAVG: 2411000 -16.9078 -18.2385 -4.24285 -18.2385 28.6449 12.938 -4.2428 12.9381 -36.5904 GPRESSAVG: 2411000 -16.8868 -18.8685 -6.84497 -17.006 27.741 13.9741 -3.76049 11.8183 -36.0847 TIMING: 2411000 CPU: 7181.97, 0.00298697/step Wall: 7181.97, 0.00298697/step, 2.14813 hours remaining, 206.140625 MB of memory in use. ENERGY: 2411000 736.8478 2069.0870 1980.5981 125.6967 -206285.0830 17924.0815 0.0000 0.0000 34273.8791 -149174.8929 299.3223 -183448.7720 -149081.3661 299.5048 11.8136 41.3277 558033.2659 -8.2844 -8.4102 PRESSURE: 2411200 -145.538 166.431 -46.715 166.432 258.672 75.3236 -46.7155 75.3222 57.1834 GPRESSURE: 2411200 -93.8761 145.085 -10.9201 181.984 333.266 13.638 -66.1584 60.5873 27.2775 PRESSAVG: 2411200 -47.0232 -48.5347 -6.01612 -48.5347 51.2896 30.346 -6.01626 30.346 -8.04971 GPRESSAVG: 2411200 -46.4527 -49.2355 -4.33921 -50.8212 52.131 28.6843 -5.0106 31.6099 -9.42232 TIMING: 2411200 CPU: 7182.57, 0.00301239/step Wall: 7182.57, 0.00301239/step, 2.16624 hours remaining, 206.140625 MB of memory in use. ENERGY: 2411200 724.5460 2028.7075 1950.4131 114.6806 -206312.8562 17908.8058 0.0000 0.0000 34253.9821 -149331.7210 299.1485 -183585.7031 -149233.9198 298.9250 56.7722 88.8890 557819.4369 -1.2611 -1.2480 PRESSURE: 2411400 -62.5517 -8.27835 -42.1471 -8.2777 -330.951 -266.972 -42.1454 -266.972 -45.5269 GPRESSURE: 2411400 -71.0873 -20.1572 -6.2573 31.2834 -228.825 -295.298 -104.316 -241.871 -42.3865 PRESSAVG: 2411400 -42.9855 -19.2751 6.53353 -19.275 -1.38687 -10.8837 6.53347 -10.8838 -13.2308 GPRESSAVG: 2411400 -43.2643 -20.5399 5.79534 -15.4198 -1.17673 -9.23841 4.76357 -12.3602 -13.3419 TIMING: 2411400 CPU: 7183.17, 0.00299739/step Wall: 7183.17, 0.00299739/step, 2.15529 hours remaining, 206.140625 MB of memory in use. ENERGY: 2411400 763.2646 2055.0414 1972.1130 101.6778 -205720.3489 17448.1748 0.0000 0.0000 34100.6739 -149279.4034 297.8097 -183380.0773 -149181.6720 299.0881 -146.3433 -114.0996 558191.5254 -19.2011 -19.2610 PRESSURE: 2411600 -22.8422 8.94092 -114.986 8.94126 95.0532 99.705 -114.987 99.7027 -59.9932 GPRESSURE: 2411600 58.9492 -22.1051 -60.2312 91.4908 109.271 64.8634 -111.747 183.894 -49.1674 PRESSAVG: 2411600 -8.06321 -17.8366 3.14603 -17.8366 -17.6584 -16.1591 3.14602 -16.1591 37.4396 GPRESSAVG: 2411600 -7.47033 -16.4701 4.76679 -18.6398 -19.1946 -15.8775 2.68901 -15.1937 38.3295 TIMING: 2411600 CPU: 7183.77, 0.00299822/step Wall: 7183.77, 0.00299822/step, 2.15572 hours remaining, 206.140625 MB of memory in use. ENERGY: 2411600 727.7843 2157.5482 1957.7764 107.8829 -206240.7448 17777.6659 0.0000 0.0000 34474.4707 -149037.6164 301.0741 -183512.0871 -148939.4117 299.6192 4.0726 39.6844 556552.6326 3.9060 3.8882 PRESSURE: 2411800 -81.5704 -114.499 90.55 -114.501 55.0197 45.5364 90.5495 45.5373 -450.075 GPRESSURE: 2411800 -92.1933 -119.998 93.8644 -141.968 74.0737 -5.4494 106.325 33.5179 -377.939 PRESSAVG: 2411800 39.0105 -51.8722 0.0446402 -51.8722 40.52 31.2097 0.0445714 31.2098 -48.3945 GPRESSAVG: 2411800 38.1565 -50.9919 -1.24761 -52.9882 41.6895 33.6517 0.87441 28.6596 -48.5116 TIMING: 2411800 CPU: 7184.38, 0.00301823/step Wall: 7184.38, 0.00301823/step, 2.16994 hours remaining, 206.140625 MB of memory in use. ENERGY: 2411800 737.7965 2106.6824 1969.5003 110.2645 -206113.5843 17640.8543 0.0000 0.0000 34412.8600 -149135.6262 300.5361 -183548.4863 -149042.6493 300.0974 -158.8751 -132.0194 558501.3788 10.3786 10.4448 PRESSURE: 2412000 51.1862 -166.068 -106.948 -166.068 2.70264 101.859 -106.949 101.858 401.793 GPRESSURE: 2412000 61.3668 -155.173 -32.1384 -155.39 99.6097 83.1265 -129.368 51.9224 392.145 PRESSAVG: 2412000 -32.326 -72.4891 -26.3093 -72.4892 33.5145 14.6361 -26.3092 14.636 -4.16955 GPRESSAVG: 2412000 -33.4616 -73.6661 -26.9655 -73.3262 34.0329 11.632 -26.5052 14.8492 -3.85824 TIMING: 2412000 CPU: 7184.97, 0.00296466/step Wall: 7184.97, 0.00296466/step, 2.13126 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: 2412000 744.5444 2101.7087 1946.6864 122.3335 -206101.8753 17806.0287 0.0000 0.0000 34199.1691 -149181.4046 298.6698 -183380.5737 -149084.2709 299.6683 151.8940 184.3740 556529.8063 -0.9937 -1.0956 PRESSURE: 2412200 231.121 102.725 1.66123 102.726 -113.901 -20.6546 1.6629 -20.6546 -95.0119 GPRESSURE: 2412200 236.641 135.118 7.30616 106.712 -47.3277 -91.5742 30.2472 -50.7445 -68.9985 PRESSAVG: 2412200 -27.7508 -51.6651 -10.6617 -51.665 -17.3379 -41.5949 -10.6618 -41.595 59.2005 GPRESSAVG: 2412200 -26.8281 -50.1992 -9.30487 -50.135 -18.6768 -41.1918 -9.24611 -40.93 60.0659 TIMING: 2412200 CPU: 7185.57, 0.00300267/step Wall: 7185.57, 0.00300267/step, 2.15842 hours remaining, 206.140625 MB of memory in use. ENERGY: 2412200 772.6644 2111.5918 1973.3974 115.5355 -206404.6934 17882.6556 0.0000 0.0000 34300.7312 -149248.1175 299.5568 -183548.8487 -149142.6758 298.7671 7.4030 40.1051 557463.6141 4.7039 4.8537 LDB: ============= START OF LOAD BALANCING ============== 7189 LDB: ============== END OF LOAD BALANCING =============== 7189 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7189 LDB: ============= START OF LOAD BALANCING ============== 7189.3 LDB: Largest compute 4821 load 0.026474 is 22.4% of average load 0.118182 LDB: Average compute 0.001706 is 1.4% of average load 0.118182 LDB: TIME 7189.3 LOAD: AVG 0.118182 MAX 0.204752 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 7189.3 LOAD: AVG 0.118182 MAX 0.204752 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.141 MB LDB: TIME 7189.3 LOAD: AVG 0.118182 MAX 0.204752 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7189.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7189.31 PRESSURE: 2412400 4.55115 -99.2841 149.094 -99.284 -127.39 14.282 149.094 14.2813 196.638 GPRESSURE: 2412400 4.15839 -99.8315 146.178 -133.101 -94.8386 42.3966 125.699 76.3303 267.01 PRESSAVG: 2412400 19.7643 -31.3956 -0.361047 -31.3957 -11.0829 5.17947 -0.361147 5.17946 -17.7027 GPRESSAVG: 2412400 19.6447 -33.9426 -1.32728 -30.4375 -9.39442 3.86035 -1.70239 7.78843 -19.2477 TIMING: 2412400 CPU: 7186.18, 0.00303703/step Wall: 7186.18, 0.00303703/step, 2.18295 hours remaining, 206.578125 MB of memory in use. ENERGY: 2412400 694.4463 2115.1254 1958.3119 117.0458 -206379.9995 17920.0130 0.0000 0.0000 34314.0890 -149260.9680 299.6735 -183575.0570 -149168.9594 298.9904 24.5999 58.7765 557539.6116 -3.0071 -2.9991 PRESSURE: 2412600 66.7559 90.9495 15.0263 90.9487 36.5432 -113.552 15.0274 -113.553 -17.3883 GPRESSURE: 2412600 102.113 47.9525 63.1673 112.248 104.689 32.7594 -27.9087 -115.146 -17.2107 PRESSAVG: 2412600 31.1014 -65.5602 46.9702 -65.5602 -67.0296 -26.9806 46.9702 -26.9805 40.3562 GPRESSAVG: 2412600 31.1225 -64.9437 49.1737 -67.3119 -66.6931 -26.8966 45.8 -28.0549 39.9523 TIMING: 2412600 CPU: 7186.77, 0.00297833/step Wall: 7186.77, 0.00297833/step, 2.14059 hours remaining, 206.781250 MB of memory in use. ENERGY: 2412600 713.9051 2060.4017 1963.4982 105.9980 -206514.5840 17923.5086 0.0000 0.0000 34570.2872 -149176.9852 301.9109 -183747.2724 -149071.2021 299.6773 28.6370 63.1970 557549.4801 1.4760 1.4606 PRESSURE: 2412800 -250.201 -2.80452 -134.381 -2.80357 113.045 4.82682 -134.381 4.82629 117.554 GPRESSURE: 2412800 -182.127 -41.1671 -196.234 61.6685 101.733 -59.5684 -97.1682 66.8623 159.101 PRESSAVG: 2412800 -102.114 23.4201 -37.5812 23.4202 51.8765 -52.1276 -37.5811 -52.1275 49.3312 GPRESSAVG: 2412800 -101.884 23.9865 -39.7283 24.0828 50.2583 -52.1484 -36.3297 -52.1237 51.0694 TIMING: 2412800 CPU: 7187.37, 0.00297195/step Wall: 7187.37, 0.00297195/step, 2.13584 hours remaining, 206.781250 MB of memory in use. ENERGY: 2412800 690.2717 2133.2605 1969.5372 123.0090 -206304.9308 17918.0675 0.0000 0.0000 34133.4642 -149337.3208 298.0960 -183470.7850 -149234.4309 299.1183 -6.5340 26.2357 557168.8447 -0.3020 -0.1855 PRESSURE: 2413000 -16.3746 59.161 -106.534 59.1604 -222.286 -285.493 -106.534 -285.49 -101.707 GPRESSURE: 2413000 -24.3851 168.56 -31.2243 32.1518 -185.725 -317.687 -145.439 -322.21 -35.7747 PRESSAVG: 2413000 8.79027 8.11883 -14.244 8.11893 -33.1298 -37.5959 -14.2441 -37.5959 29.9277 GPRESSAVG: 2413000 8.41853 7.33592 -13.8596 6.92822 -31.7266 -39.7038 -14.8673 -37.7723 29.143 TIMING: 2413000 CPU: 7187.97, 0.00299596/step Wall: 7187.97, 0.00299596/step, 2.15293 hours remaining, 206.781250 MB of memory in use. ENERGY: 2413000 728.8004 2117.3837 1937.0953 128.5487 -206253.5244 17703.3504 0.0000 0.0000 34325.2478 -149313.0981 299.7709 -183638.3459 -149218.8733 299.5282 -113.4560 -81.9617 558007.9342 1.8627 1.9450 PRESSURE: 2413200 220.427 81.5133 -88.577 81.5138 -12.7393 1.1389 -88.5778 1.13916 2.25793 GPRESSURE: 2413200 279.031 71.9801 -124.546 108.799 6.93586 91.4861 -64.2846 -24.975 23.7144 PRESSAVG: 2413200 51.137 -9.2478 -2.04895 -9.24789 -19.3254 -9.88321 -2.04899 -9.88307 -57.1908 GPRESSAVG: 2413200 52.9969 -7.63419 -1.78108 -8.34765 -20.4157 -8.97232 -1.76134 -10.6377 -57.8407 TIMING: 2413200 CPU: 7188.57, 0.00301193/step Wall: 7188.57, 0.00301193/step, 2.16424 hours remaining, 206.781250 MB of memory in use. ENERGY: 2413200 778.2317 2084.0079 1912.1291 111.8009 -206474.0083 18073.9098 0.0000 0.0000 34233.8305 -149280.0985 298.9726 -183513.9290 -149192.6039 298.5934 69.9819 103.2272 557009.9925 -8.4597 -8.4198 PRESSURE: 2413400 -40.2432 101.81 134.97 101.811 160.716 -91.8607 134.97 -91.8596 -130.185 GPRESSURE: 2413400 -106.49 103.674 145.742 51.7039 225.177 -72.5457 93.3074 -133.284 -28.8842 PRESSAVG: 2413400 24.0927 -7.83131 14.294 -7.83132 22.5927 -11.2474 14.2941 -11.2474 6.83677 GPRESSAVG: 2413400 22.791 -8.07335 13.6224 -7.36248 21.9827 -9.50211 14.3786 -10.8142 8.18136 TIMING: 2413400 CPU: 7189.16, 0.0029819/step Wall: 7189.16, 0.0029819/step, 2.14249 hours remaining, 206.781250 MB of memory in use. ENERGY: 2413400 746.2316 2038.8548 1929.7863 120.8076 -206316.1621 17732.8513 0.0000 0.0000 34415.0612 -149332.5693 300.5553 -183747.6305 -149229.6402 299.4356 -3.2372 29.9341 556270.5082 17.8407 17.6517 PRESSURE: 2413600 -283.889 214.672 -71.3184 214.673 -99.1565 47.0143 -71.3189 47.0144 -88.6462 GPRESSURE: 2413600 -267.047 251.273 -88.4156 201.718 -20.3292 25.4051 -45.4266 2.28515 -97.8401 PRESSAVG: 2413600 -31.8354 15.2351 -27.4664 15.235 -2.39582 -27.3268 -27.4665 -27.3267 37.5618 GPRESSAVG: 2413600 -31.8864 15.5007 -26.8932 15.9909 -1.3518 -27.9994 -26.7037 -27.7349 36.5109 TIMING: 2413600 CPU: 7189.76, 0.00297815/step Wall: 7189.76, 0.00297815/step, 2.13964 hours remaining, 206.781250 MB of memory in use. ENERGY: 2413600 754.4056 2026.5427 1968.6708 94.9960 -206121.2586 17670.3031 0.0000 0.0000 34143.9760 -149462.3645 298.1878 -183606.3405 -149366.1328 298.4706 -157.2304 -128.4053 558736.1116 1.1102 1.0909 PRESSURE: 2413800 50.1742 -129.745 62.2062 -129.746 -190.273 61.0181 62.2064 61.0177 -301.107 GPRESSURE: 2413800 91.6226 -150.8 75.8141 -42.6787 -149.966 32.0323 -20.2518 -2.46425 -295.401 PRESSAVG: 2413800 14.9566 -10.7282 4.13648 -10.7282 -14.5574 -19.0162 4.13642 -19.0162 -14.0021 GPRESSAVG: 2413800 14.9539 -9.58349 4.45406 -13.5895 -16.1005 -18.3579 2.79637 -17.5125 -12.8395 TIMING: 2413800 CPU: 7190.36, 0.00298046/step Wall: 7190.36, 0.00298046/step, 2.14113 hours remaining, 206.781250 MB of memory in use. ENERGY: 2413800 764.9089 2020.3466 1959.6770 102.2177 -206196.3710 17716.4542 0.0000 0.0000 34236.5014 -149396.2652 298.9959 -183632.7667 -149302.5755 298.2277 -147.0686 -117.9145 558663.6671 -4.5343 -4.6621 PRESSURE: 2414000 -287.113 146.796 -47.8344 146.795 221.111 238.041 -47.8349 238.042 -17.9251 GPRESSURE: 2414000 -210.616 244.054 -16.5227 81.6866 250.904 165.361 -66.2569 249.139 -14.2577 PRESSAVG: 2414000 -16.1856 20.215 -37.9621 20.215 33.1365 1.02998 -37.962 1.02991 13.2024 GPRESSAVG: 2414000 -15.893 20.5008 -36.9667 20.0012 34.8216 0.946169 -38.0987 -0.446365 11.7463 TIMING: 2414000 CPU: 7190.96, 0.00300862/step Wall: 7190.96, 0.00300862/step, 2.16119 hours remaining, 206.781250 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: 2414000 720.0314 2041.4814 1937.7794 110.4080 -206165.6380 17711.5211 0.0000 0.0000 34305.3248 -149339.0918 299.5969 -183644.4166 -149234.7925 298.5565 -27.9758 8.6768 559000.8374 10.0511 10.2250 PRESSURE: 2414200 -144.95 12.8016 64.5979 12.8015 -26.08 -61.7579 64.5967 -61.7579 -75.145 GPRESSURE: 2414200 -98.0869 10.9981 57.5114 66.3173 -13.9234 -15.6239 85.7566 -85.3844 -32.7874 PRESSAVG: 2414200 19.7802 -11.5571 -30.3359 -11.5573 -10.7047 -31.1697 -30.336 -31.1695 22.6781 GPRESSAVG: 2414200 19.2225 -11.2332 -30.8754 -10.221 -11.632 -33.7829 -28.7049 -29.694 24.5633 TIMING: 2414200 CPU: 7191.56, 0.00299424/step Wall: 7191.56, 0.00299424/step, 2.1507 hours remaining, 206.781250 MB of memory in use. ENERGY: 2414200 754.1724 2015.9423 1949.2939 110.4390 -206303.8726 17768.6014 0.0000 0.0000 34287.2647 -149418.1589 299.4392 -183705.4235 -149318.1762 299.0834 -82.0583 -48.2659 558171.0632 10.5845 10.7179 PRESSURE: 2414400 -136.181 -2.52874 -98.4604 -2.5293 111.242 16.4112 -98.4609 16.4117 107.92 GPRESSURE: 2414400 -56.2408 50.5918 -81.2408 -17.3129 124.259 -38.5758 -25.0226 89.6291 104.426 PRESSAVG: 2414400 -46.5908 -7.21259 -24.9873 -7.21262 3.30358 16.0706 -24.9873 16.0707 18.7477 GPRESSAVG: 2414400 -45.7774 -7.2378 -26.5747 -6.43174 2.97848 17.0703 -23.6451 15.2985 18.2433 TIMING: 2414400 CPU: 7192.15, 0.0029893/step Wall: 7192.15, 0.0029893/step, 2.14698 hours remaining, 206.781250 MB of memory in use. ENERGY: 2414400 735.6126 2109.7166 1926.9005 118.6218 -206369.4594 17832.8545 0.0000 0.0000 34357.6771 -149288.0763 300.0541 -183645.7534 -149189.4486 298.8274 27.6606 57.4813 556532.1074 -8.1798 -8.1852 PRESSURE: 2414600 67.1652 121.995 108.056 121.995 67.7096 -36.8368 108.055 -36.8374 -128.46 GPRESSURE: 2414600 53.4143 97.8893 93.9051 146.984 97.7409 -5.50314 85.358 -46.5161 -46.9306 PRESSAVG: 2414600 -12.1716 38.2034 8.43235 38.2033 21.3227 -10.5962 8.43227 -10.596 4.34339 GPRESSAVG: 2414600 -12.2772 37.4155 9.96544 37.9847 22.1415 -8.24137 7.40716 -10.299 3.44339 TIMING: 2414600 CPU: 7192.75, 0.00296551/step Wall: 7192.75, 0.00296551/step, 2.12973 hours remaining, 206.781250 MB of memory in use. ENERGY: 2414600 739.4436 2134.2615 1960.4588 107.1977 -206171.3000 17784.7336 0.0000 0.0000 34034.6617 -149410.5431 297.2332 -183445.2048 -149310.2938 298.9766 2.1381 34.7415 557640.0625 4.4982 4.4359 PRESSURE: 2414800 -399.901 45.5541 -46.1789 45.5547 -49.3941 -12.6297 -46.1804 -12.6294 -276.322 GPRESSURE: 2414800 -350.983 63.1442 -24.982 38.6187 -61.0456 -64.1177 -1.71026 78.1815 -221.734 PRESSAVG: 2414800 -21.8422 -14.6212 59.3351 -14.6211 -25.9278 18.2994 59.3351 18.2994 48.4831 GPRESSAVG: 2414800 -21.1674 -13.4794 59.6634 -16.0218 -25.9645 16.5252 58.7397 17.4875 48.1945 TIMING: 2414800 CPU: 7193.34, 0.00295006/step Wall: 7193.34, 0.00295006/step, 2.11847 hours remaining, 206.781250 MB of memory in use. ENERGY: 2414800 740.1859 2060.9058 1937.2181 104.6424 -206027.5397 17512.5977 0.0000 0.0000 34236.7887 -149435.2010 298.9984 -183671.9897 -149336.6235 298.2107 -241.8723 -211.2542 556890.3980 0.2377 0.3542 PRESSURE: 2415000 -184.244 164.748 17.771 164.749 -167.872 141.849 17.7721 141.848 132.74 GPRESSURE: 2415000 -158.923 113.549 -7.95124 210.747 -151.151 115.932 37.0909 157.445 186.497 PRESSAVG: 2415000 26.4563 77.1576 -23.4797 77.1576 -89.5297 -11.22 -23.4797 -11.22 22.8128 GPRESSAVG: 2415000 24.6693 74.6856 -23.0589 80.0047 -88.7301 -11.149 -24.0749 -8.98069 23.908 TIMING: 2415000 CPU: 7193.93, 0.00297884/step Wall: 7193.93, 0.00297884/step, 2.13897 hours remaining, 206.781250 MB of memory in use. ENERGY: 2415000 744.1509 2027.7719 1966.5998 112.3369 -206220.3236 17691.4353 0.0000 0.0000 34235.9731 -149442.0558 298.9913 -183678.0288 -149348.1237 298.3086 -73.1255 -41.1923 557661.5646 -13.4202 -13.3843 PRESSURE: 2415200 101.276 38.3853 167.583 38.3846 -77.0245 124.561 167.583 124.562 41.5796 GPRESSURE: 2415200 113.735 29.8908 82.1576 37.388 -36.7209 135.807 249.774 158.277 76.3833 PRESSAVG: 2415200 -52.6428 28.4428 9.53532 28.4428 49.1525 78.8333 9.53528 78.8333 2.83034 GPRESSAVG: 2415200 -52.739 30.7681 8.14806 26.6494 48.2827 78.7846 10.3109 76.185 3.34755 TIMING: 2415200 CPU: 7194.53, 0.00300124/step Wall: 7194.53, 0.00300124/step, 2.15489 hours remaining, 206.781250 MB of memory in use. ENERGY: 2415200 743.8169 2023.3464 1917.7314 103.5373 -206547.2172 17978.2960 0.0000 0.0000 34280.3716 -149500.1176 299.3790 -183780.4892 -149404.2617 298.4923 21.9435 51.1325 558637.4340 -0.2200 -0.3696 PRESSURE: 2415400 -70.6599 4.49471 -72.374 4.49403 51.0187 43.3484 -72.3746 43.3493 -117.805 GPRESSURE: 2415400 -79.6821 -35.8288 -62.7638 35.9061 29.711 58.4209 6.75071 34.6592 10.9904 PRESSAVG: 2415400 61.8672 60.301 -17.8594 60.3009 -21.0304 11.3468 -17.8595 11.3469 -40.5011 GPRESSAVG: 2415400 62.9414 58.4091 -19.5226 61.6256 -20.9643 11.698 -15.4542 12.9531 -41.0903 TIMING: 2415400 CPU: 7195.13, 0.003003/step Wall: 7195.13, 0.003003/step, 2.15599 hours remaining, 206.781250 MB of memory in use. ENERGY: 2415400 762.5045 2099.8120 1961.8473 109.3187 -206197.7045 17733.0152 0.0000 0.0000 34144.7746 -149386.4324 298.1948 -183531.2070 -149290.9586 298.9142 -45.8155 -12.9936 557646.3397 0.1119 0.2956 PRESSURE: 2415600 -219.029 -140.977 149.312 -140.977 -266.291 58.7643 149.311 58.7643 132.095 GPRESSURE: 2415600 -201.581 -43.9993 112.401 -124.636 -130.764 39.8574 204.457 83.5553 77.7115 PRESSAVG: 2415600 -43.7307 9.26365 -48.9808 9.2636 -3.11622 19.5139 -48.9807 19.5139 -20.6039 GPRESSAVG: 2415600 -43.4822 9.40577 -48.3499 10.3637 -2.85367 19.0425 -50.6375 19.0027 -20.7772 TIMING: 2415600 CPU: 7195.73, 0.00297372/step Wall: 7195.73, 0.00297372/step, 2.1348 hours remaining, 206.781250 MB of memory in use. ENERGY: 2415600 783.0372 2086.7289 1971.3607 110.6091 -205811.7318 17625.3298 0.0000 0.0000 34017.1469 -149217.5191 297.0802 -183234.6660 -149120.1186 299.1337 -117.7418 -84.8778 558278.3578 -22.4836 -22.3710 PRESSURE: 2415800 -56.2993 -36.6029 -71.9128 -36.6034 119.617 -101.418 -71.9115 -101.417 -58.0065 GPRESSURE: 2415800 -30.1579 -47.3529 -140.409 -62.4574 118.497 -110.466 -32.8864 -30.4655 22.3467 PRESSAVG: 2415800 12.0885 58.2938 -16.327 58.2937 -29.1676 11.4122 -16.3271 11.4121 64.3894 GPRESSAVG: 2415800 10.7988 61.419 -14.808 55.5128 -29.625 11.5682 -15.2362 11.2084 66.0657 TIMING: 2415800 CPU: 7196.33, 0.00300178/step Wall: 7196.33, 0.00300178/step, 2.15477 hours remaining, 206.781250 MB of memory in use. ENERGY: 2415800 724.9230 2056.0262 1960.7426 105.0457 -206004.3585 17847.5993 0.0000 0.0000 34069.4269 -149240.5948 297.5368 -183310.0217 -149139.8347 298.6500 1.7704 36.8952 558523.7627 15.7701 15.7465 PRESSURE: 2416000 -137.209 30.0155 5.17084 30.0155 -402.222 -190.644 5.17026 -190.644 -171.139 GPRESSURE: 2416000 -115.092 46.6901 -51.2885 -30.4937 -309.291 -191.468 -0.79912 -191.352 -193.889 PRESSAVG: 2416000 -44.9703 8.24068 -19.4801 8.24071 12.9724 -61.5919 -19.4801 -61.5917 -18.917 GPRESSAVG: 2416000 -43.1637 6.37617 -18.5634 10.6099 13.6187 -61.855 -21.8733 -60.2244 -21.4069 TIMING: 2416000 CPU: 7196.92, 0.0029678/step Wall: 7196.92, 0.0029678/step, 2.13022 hours remaining, 206.781250 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: 2416000 776.6466 2073.0595 1945.5560 120.5838 -205827.9671 17451.3664 0.0000 0.0000 34219.7821 -149240.9728 298.8499 -183460.7549 -149145.1649 298.7348 -236.8570 -206.0909 559630.0104 -16.9716 -16.9840 PRESSURE: 2416200 -155.617 -1.17931 -88.4727 -1.17879 -91.0822 -22.6366 -88.4723 -22.6382 13.0091 GPRESSURE: 2416200 -144.183 -64.0913 -139.191 53.3561 -69.4806 -127.26 -85.8502 -51.4518 80.0383 PRESSAVG: 2416200 -3.61689 -12.9286 -3.98757 -12.9286 1.7159 59.0964 -3.98761 59.0963 17.7323 GPRESSAVG: 2416200 -4.72137 -15.4153 -4.9116 -13.9337 1.51684 60.7483 -4.16728 58.2135 18.8067 TIMING: 2416200 CPU: 7197.52, 0.00298154/step Wall: 7197.52, 0.00298154/step, 2.13992 hours remaining, 206.781250 MB of memory in use. ENERGY: 2416200 713.2728 2105.4237 1945.7673 126.7150 -206090.2716 17567.8221 0.0000 0.0000 34456.2223 -149175.0485 300.9148 -183631.2707 -149075.5401 298.7268 -77.8967 -44.5417 558112.4685 5.2771 5.2007 LDB: ============= START OF LOAD BALANCING ============== 7200.95 LDB: ============== END OF LOAD BALANCING =============== 7200.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7200.95 LDB: ============= START OF LOAD BALANCING ============== 7201.24 LDB: Largest compute 4821 load 0.026632 is 22.6% of average load 0.118085 LDB: Average compute 0.001717 is 1.5% of average load 0.118085 LDB: TIME 7201.25 LOAD: AVG 0.118085 MAX 0.203412 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.227 MB LDB: TIME 7201.25 LOAD: AVG 0.118085 MAX 0.203412 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: TIME 7201.25 LOAD: AVG 0.118085 MAX 0.203412 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: ============== END OF LOAD BALANCING =============== 7201.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7201.25 PRESSURE: 2416400 224.935 -39.2058 32.2371 -39.2061 -143.501 149.864 32.2356 149.865 218.714 GPRESSURE: 2416400 232.458 -34.2267 74.0634 -48.1438 -83.9919 167.496 -60.947 71.2132 241.843 PRESSAVG: 2416400 -10.4216 -50.7652 -15.0829 -50.7652 -5.74565 -35.6685 -15.0828 -35.6685 25.2482 GPRESSAVG: 2416400 -9.92948 -48.5486 -15.0386 -49.5113 -7.06853 -36.6758 -13.2809 -36.9593 25.928 TIMING: 2416400 CPU: 7198.12, 0.00301498/step Wall: 7198.12, 0.00301498/step, 2.16375 hours remaining, 206.179688 MB of memory in use. ENERGY: 2416400 718.7379 2085.7702 1962.9810 107.3481 -206124.1826 17941.8562 0.0000 0.0000 34279.5916 -149027.8975 299.3722 -183307.4892 -148933.5022 298.9238 100.0495 130.1030 557315.1031 3.0270 2.9767 PRESSURE: 2416600 -19.039 -58.3506 -49.7204 -58.3509 -264.041 43.5888 -49.7206 43.5883 -41.3949 GPRESSURE: 2416600 57.5059 -101.417 -70.5682 -59.8878 -226.312 20.1044 -3.52184 41.4953 -61.8023 PRESSAVG: 2416600 0.939808 -82.8767 32.8855 -82.8767 -5.60335 11.9719 32.8856 11.9719 5.8566 GPRESSAVG: 2416600 0.473035 -83.6472 31.7507 -85.284 -4.30949 9.75827 33.2908 13.2319 5.28592 TIMING: 2416600 CPU: 7198.72, 0.00297685/step Wall: 7198.72, 0.00297685/step, 2.13622 hours remaining, 206.179688 MB of memory in use. ENERGY: 2416600 700.8834 2091.2134 1958.2722 107.2683 -205761.7418 17594.3577 0.0000 0.0000 34315.2041 -148994.5427 299.6832 -183309.7468 -148888.6153 299.6889 -108.1582 -76.8693 558848.9514 0.3977 0.4832 PRESSURE: 2416800 -158.525 160.882 -135.729 160.883 -234.395 -49.9041 -135.729 -49.905 -5.14477 GPRESSURE: 2416800 -87.2527 199.026 -87.8917 199.006 -177.584 -8.37026 -162.881 -65.427 -31.7764 PRESSAVG: 2416800 -10.1453 22.479 -19.9184 22.479 -42.6904 -34.3934 -19.9184 -34.3934 28.3731 GPRESSAVG: 2416800 -10.1289 21.009 -17.2045 23.1626 -42.6535 -32.7748 -21.5659 -33.9124 28.6662 TIMING: 2416800 CPU: 7199.31, 0.00297925/step Wall: 7199.31, 0.00297925/step, 2.13778 hours remaining, 206.179688 MB of memory in use. ENERGY: 2416800 741.2672 2094.5693 1959.0752 117.5225 -205770.9295 17643.7298 0.0000 0.0000 34235.6336 -148979.1319 298.9883 -183214.7655 -148880.3632 299.5450 -132.6885 -98.8712 559583.5237 -8.1542 -8.0387 PRESSURE: 2417000 127.572 -125.146 -130.989 -125.144 22.4353 -100.968 -130.989 -100.97 -144.699 GPRESSURE: 2417000 210.406 -254.385 -197.963 -85.6555 24.2795 -70.9115 -65.8066 -108.99 -129.922 PRESSAVG: 2417000 1.38733 7.42823 -15.2686 7.42836 -50.5541 -5.25411 -15.2686 -5.25412 53.0839 GPRESSAVG: 2417000 1.69338 8.75362 -16.4369 9.23842 -50.538 -3.95815 -13.6475 -4.33474 52.9099 TIMING: 2417000 CPU: 7199.91, 0.00295744/step Wall: 7199.91, 0.00295744/step, 2.12197 hours remaining, 206.179688 MB of memory in use. ENERGY: 2417000 759.0119 2076.3135 1952.8255 108.7164 -206187.5519 17920.3010 0.0000 0.0000 34223.1717 -149147.2119 298.8795 -183370.3837 -149049.4111 299.4135 1.7693 34.9213 557637.4034 1.3057 1.3551 PRESSURE: 2417200 -150.232 -42.5533 114.679 -42.5531 -65.5769 9.70308 114.678 9.70271 -69.836 GPRESSURE: 2417200 -100.35 -74.2292 67.2174 46.0628 -22.5597 39.8051 180.99 -49.3329 -69.6214 PRESSAVG: 2417200 1.45767 -21.3269 -30.6641 -21.3268 -18.847 -26.1002 -30.6641 -26.1002 -4.61156 GPRESSAVG: 2417200 1.96498 -21.8859 -31.4548 -24.2181 -18.6408 -26.9517 -32.0153 -26.8491 -5.25372 TIMING: 2417200 CPU: 7200.49, 0.00293571/step Wall: 7200.49, 0.00293571/step, 2.10621 hours remaining, 206.179688 MB of memory in use. ENERGY: 2417200 731.8447 2094.1545 1987.2990 119.8771 -206115.8054 17624.7346 0.0000 0.0000 34461.3768 -149096.5187 300.9598 -183557.8955 -148998.5947 299.2993 -95.2151 -64.1769 558471.9159 -7.3336 -7.3098 PRESSURE: 2417400 14.1589 81.6626 -69.5303 81.6622 -103.062 70.1591 -69.5304 70.161 163.45 GPRESSURE: 2417400 83.1104 105.102 -79.8652 75.0149 -83.6907 149.367 -43.6938 25.06 170.805 PRESSAVG: 2417400 10.0243 -18.1122 -38.8805 -18.1122 -42.2493 -2.35705 -38.8804 -2.35699 64.3055 GPRESSAVG: 2417400 8.87535 -15.6433 -40.5735 -17.5779 -42.2778 -3.09159 -38.3835 -0.0385437 65.206 TIMING: 2417400 CPU: 7201.09, 0.00298616/step Wall: 7201.09, 0.00298616/step, 2.14224 hours remaining, 206.179688 MB of memory in use. ENERGY: 2417400 719.5228 2086.3199 1964.0523 112.8505 -206134.9385 17862.3895 0.0000 0.0000 34296.7643 -149093.0392 299.5222 -183389.8035 -148997.5209 299.8471 24.8489 56.7417 558341.9123 10.6935 10.6012 PRESSURE: 2417600 -202.466 -32.126 -67.8153 -32.1248 -127.001 -1.02169 -67.8146 -1.02158 -19.3711 GPRESSURE: 2417600 -151.698 -90.2368 -53.845 -96.2879 -109.966 69.2417 -130.933 24.9096 -5.58943 PRESSAVG: 2417600 30.4554 -11.8534 -39.0368 -11.8533 -1.9578 -9.8123 -39.0368 -9.81227 25.7371 GPRESSAVG: 2417600 31.8257 -13.162 -38.3953 -11.5818 -2.75196 -9.67249 -39.1893 -11.1494 24.4818 TIMING: 2417600 CPU: 7201.69, 0.00298674/step Wall: 7201.69, 0.00298674/step, 2.14249 hours remaining, 206.179688 MB of memory in use. ENERGY: 2417600 727.5061 2051.6951 1945.3984 114.8839 -205959.0433 17596.9594 0.0000 0.0000 34320.5899 -149202.0106 299.7302 -183522.6005 -149098.8676 299.1613 -116.2793 -89.0846 558784.9572 18.0782 17.8518 PRESSURE: 2417800 -71.5807 92.0014 -48.5501 92.0002 -37.7971 -57.4369 -48.5496 -57.4372 -315.844 GPRESSURE: 2417800 -59.7701 12.0993 -22.833 155.186 -12.5127 -31.6631 -11.6458 -33.6796 -252.032 PRESSAVG: 2417800 75.0942 -41.7952 -31.7084 -41.7952 -9.6313 12.3136 -31.7083 12.3136 -61.2921 GPRESSAVG: 2417800 74.1822 -41.318 -30.0651 -42.1277 -9.33076 13.9484 -32.3877 10.5792 -60.8522 TIMING: 2417800 CPU: 7202.29, 0.00300315/step Wall: 7202.29, 0.00300315/step, 2.15409 hours remaining, 206.179688 MB of memory in use. ENERGY: 2417800 721.7944 2112.5995 1979.7130 108.0587 -205823.3436 17482.9894 0.0000 0.0000 34174.1620 -149244.0266 298.4515 -183418.1886 -149147.3008 299.5898 -141.7404 -108.1049 558926.7389 1.3903 1.3331 PRESSURE: 2418000 -285.444 93.2497 -158.436 93.2498 -186.79 94.4554 -158.436 94.4537 -284.003 GPRESSURE: 2418000 -244.436 121.974 -209.647 2.68636 -151.361 164.378 -57.8375 92.4187 -266.755 PRESSAVG: 2418000 7.35808 -18.6959 -12.9019 -18.6959 16.8103 -58.2949 -12.9019 -58.2949 -14.2502 GPRESSAVG: 2418000 8.65219 -18.6257 -12.8801 -19.3646 16.4942 -59.1099 -13.5887 -57.2682 -14.5982 TIMING: 2418000 CPU: 7202.89, 0.00301572/step Wall: 7202.89, 0.00301572/step, 2.16294 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: 2418000 770.0848 2060.6694 1935.6420 111.9215 -206053.7063 17733.8699 0.0000 0.0000 34206.2602 -149235.2586 298.7318 -183441.5188 -149138.9564 298.9760 -252.0790 -220.8507 558940.6201 3.3061 3.5160 PRESSURE: 2418200 127.654 -38.3115 36.8421 -38.3107 -45.2845 86.5639 36.8422 86.5646 192.307 GPRESSURE: 2418200 194.604 31.7198 154.479 -53.2305 -16.7967 116.492 10.7565 71.7601 195.878 PRESSAVG: 2418200 -32.7267 -26.3628 53.5834 -26.3626 35.7695 -17.6575 53.5835 -17.6574 -20.8459 GPRESSAVG: 2418200 -33.2437 -26.7903 54.8784 -25.2747 35.7197 -15.6313 55.0875 -18.2388 -20.2891 TIMING: 2418200 CPU: 7203.49, 0.00299187/step Wall: 7203.49, 0.00299187/step, 2.14567 hours remaining, 206.179688 MB of memory in use. ENERGY: 2418200 759.5988 2152.7078 1928.5122 108.7117 -206675.7103 18021.3106 0.0000 0.0000 34450.9551 -149253.9139 300.8688 -183704.8691 -149148.4823 299.2650 91.5588 124.5617 556741.3237 -5.9344 -5.9377 PRESSURE: 2418400 -137.922 18.0811 45.4287 18.0803 -122.271 70.2206 45.4295 70.2206 -45.1111 GPRESSURE: 2418400 -75.5788 38.139 183.997 -16.3764 -90.933 22.6796 53.8974 134.799 -45.443 PRESSAVG: 2418400 29.055 -51.2127 -9.55168 -51.2126 -52.9459 -24.9786 -9.55179 -24.9785 22.8253 GPRESSAVG: 2418400 28.8473 -50.7263 -11.6952 -50.6623 -53.014 -26.5667 -9.85444 -24.806 23.0865 TIMING: 2418400 CPU: 7204.09, 0.00300638/step Wall: 7204.09, 0.00300638/step, 2.15591 hours remaining, 206.179688 MB of memory in use. ENERGY: 2418400 741.6887 2099.0694 1934.0742 99.7548 -205779.9535 17599.8292 0.0000 0.0000 34190.0983 -149115.4390 298.5906 -183305.5372 -149023.1893 299.4904 -101.7677 -70.6516 558648.2147 -0.3552 -0.3601 PRESSURE: 2418600 -97.173 -19.7275 2.03283 -19.7273 34.0638 -23.4334 2.03248 -23.4324 -196.469 GPRESSURE: 2418600 -70.377 -33.4666 -73.1526 -47.6449 20.8678 -17.4004 -44.2409 -47.4244 -118.081 PRESSAVG: 2418600 10.728 -57.0644 19.1184 -57.0643 38.7265 -72.2203 19.1185 -72.2203 -34.3047 GPRESSAVG: 2418600 10.7744 -56.2591 18.6015 -59.9244 38.2193 -72.1958 18.3683 -72.0157 -34.1028 TIMING: 2418600 CPU: 7204.69, 0.00301536/step Wall: 7204.69, 0.00301536/step, 2.16218 hours remaining, 206.179688 MB of memory in use. ENERGY: 2418600 754.1060 2047.9190 1939.0399 113.6281 -206041.3870 17655.1512 0.0000 0.0000 34214.6370 -149316.9060 298.8049 -183531.5430 -149224.8633 299.4902 -86.5262 -55.8633 557396.7665 5.0499 4.9636 PRESSURE: 2418800 -235.548 -60.4819 -58.2551 -60.4799 -66.9524 -139.777 -58.2556 -139.778 87.8853 GPRESSURE: 2418800 -208.842 -117.299 -37.2724 -31.3225 -28.6531 -141.161 -131.855 -159.842 108.828 PRESSAVG: 2418800 -84.5142 19.9868 10.8877 19.9867 96.824 -57.055 10.8876 -57.055 33.2679 GPRESSAVG: 2418800 -84.522 20.6997 10.8456 18.8299 97.148 -56.8836 11.4495 -55.2155 32.9006 TIMING: 2418800 CPU: 7205.3, 0.00301212/step Wall: 7205.3, 0.00301212/step, 2.15969 hours remaining, 206.179688 MB of memory in use. ENERGY: 2418800 784.7102 2087.9347 1969.1271 114.8188 -206175.9127 17805.9026 0.0000 0.0000 34258.6634 -149154.7560 299.1894 -183413.4194 -149057.1216 298.8203 -71.5383 -42.8888 556349.9512 15.1926 15.1755 PRESSURE: 2419000 77.4097 121.306 -63.2047 121.307 258.906 -52.5746 -63.2047 -52.574 53.5519 GPRESSURE: 2419000 100.873 124.225 -113.94 84.5265 319.017 -65.7615 15.5212 -50.7006 72.3383 PRESSAVG: 2419000 -80.0877 -7.23773 -6.52592 -7.23777 58.5317 -38.0369 -6.52608 -38.0369 25.7126 GPRESSAVG: 2419000 -81.5829 -8.93389 -6.10068 -5.17993 58.7222 -38.2455 -6.59126 -40.1916 26.3189 TIMING: 2419000 CPU: 7205.9, 0.00300269/step Wall: 7205.9, 0.00300269/step, 2.15276 hours remaining, 206.179688 MB of memory in use. ENERGY: 2419000 703.9729 2157.8740 1934.6939 111.6760 -206025.8517 17809.7061 0.0000 0.0000 34088.7238 -149219.2051 297.7053 -183307.9289 -149119.1914 299.6294 129.9560 164.0762 556915.5045 1.3855 1.1528 PRESSURE: 2419200 -5.91445 85.8013 -8.61816 85.8014 -105.764 23.32 -8.61872 23.3205 7.85375 GPRESSURE: 2419200 -14.1061 21.2932 2.09602 51.3303 -17.1646 40.1417 11.7475 -1.83268 9.8383 PRESSAVG: 2419200 -15.3455 -33.2865 -46.5985 -33.2865 74.0018 -13.7486 -46.5985 -13.7486 -66.3106 GPRESSAVG: 2419200 -14.8191 -32.8749 -47.3784 -33.3453 73.3017 -15.0337 -45.0264 -12.0082 -66.6433 TIMING: 2419200 CPU: 7206.49, 0.00298997/step Wall: 7206.49, 0.00298997/step, 2.14348 hours remaining, 206.179688 MB of memory in use. ENERGY: 2419200 774.5637 2098.1864 1938.8404 117.4525 -206089.9269 17623.5271 0.0000 0.0000 34144.8969 -149392.4599 298.1959 -183537.3568 -149294.3320 299.6783 -34.6083 -7.1441 557912.5980 -2.5514 -2.7202 PRESSURE: 2419400 193.194 -237.473 -220.375 -237.472 147.866 123.369 -220.376 123.368 116.224 GPRESSURE: 2419400 185.005 -214.007 -185.531 -173.866 195.937 104.798 -197.039 122.493 160.263 PRESSAVG: 2419400 -12.2997 26.1822 -20.0923 26.1822 36.4571 1.91552 -20.0922 1.91551 -5.80835 GPRESSAVG: 2419400 -12.6447 28.7163 -20.3051 25.4184 36.5243 3.78332 -21.8734 0.961767 -5.67964 TIMING: 2419400 CPU: 7207.09, 0.00298386/step Wall: 7207.09, 0.00298386/step, 2.13893 hours remaining, 206.179688 MB of memory in use. ENERGY: 2419400 745.2514 2109.1509 1918.3705 101.7312 -206411.1039 17950.2446 0.0000 0.0000 34042.8309 -149543.5244 297.3045 -183586.3554 -149452.9813 298.3244 152.4278 180.4016 555507.1045 6.1164 6.0666 PRESSURE: 2419600 -95.777 -47.8151 -88.8577 -47.8145 25.2113 49.4193 -88.8587 49.4197 29.0628 GPRESSURE: 2419600 -39.1939 -32.4856 -88.8717 -62.2541 48.1981 -7.76711 -143.648 91.3812 41.9566 PRESSAVG: 2419600 16.199 16.9313 17.278 16.9314 -22.1591 18.2158 17.278 18.2158 12.3888 GPRESSAVG: 2419600 16.1349 15.7591 18.6781 16.9892 -22.3345 15.8773 19.519 19.0784 12.2494 TIMING: 2419600 CPU: 7207.69, 0.00297799/step Wall: 7207.69, 0.00297799/step, 2.13456 hours remaining, 206.179688 MB of memory in use. ENERGY: 2419600 757.4500 2098.8536 1931.0490 124.3040 -206419.2806 17690.5604 0.0000 0.0000 34396.5876 -149420.4760 300.3940 -183817.0637 -149322.6101 299.0672 -13.8343 16.9869 556678.9449 2.1429 2.0166 PRESSURE: 2419800 136.831 -208.339 -38.2969 -208.34 -51.8974 -39.0253 -38.2971 -39.0263 78.2026 GPRESSURE: 2419800 168.101 -139.833 -32.7705 -200.959 -55.5165 -92.8149 -100.49 -37.3428 151.788 PRESSAVG: 2419800 10.1125 -50.6815 -46.6226 -50.6815 -71.8411 -62.8953 -46.6226 -62.8954 35.1117 GPRESSAVG: 2419800 9.65405 -52.5605 -46.0885 -52.2456 -71.1263 -61.8343 -45.8315 -61.8002 35.3599 TIMING: 2419800 CPU: 7208.28, 0.00297209/step Wall: 7208.28, 0.00297209/step, 2.13016 hours remaining, 206.179688 MB of memory in use. ENERGY: 2419800 761.5493 2144.5495 1965.4879 117.7201 -206453.8488 17890.6553 0.0000 0.0000 34149.0304 -149424.8563 298.2320 -183573.8867 -149328.4589 298.5638 54.3787 88.1243 557525.5626 -8.8723 -8.7041 PRESSURE: 2420000 76.9304 -156.302 118.175 -156.301 -225.483 26.8622 118.174 26.8624 254.734 GPRESSURE: 2420000 111.188 -201.598 156.186 -89.7366 -152.542 63.9908 141.263 -24.4394 249.297 PRESSAVG: 2420000 28.5687 -56.7266 -5.34369 -56.7265 -59.5797 5.00034 -5.34373 5.00021 12.8653 GPRESSAVG: 2420000 28.4865 -56.9154 -5.972 -55.6838 -58.416 3.95373 -7.31504 6.6331 11.9232 TIMING: 2420000 CPU: 7208.88, 0.00298369/step Wall: 7208.88, 0.00298369/step, 2.13831 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: 2420000 777.8511 2056.2869 1955.3833 98.1411 -206506.5607 17838.2571 0.0000 0.0000 34276.3455 -149504.2957 299.3439 -183780.6412 -149405.4404 298.0955 35.3937 69.3143 556263.7636 -6.0486 -6.0021 PRESSURE: 2420200 -25.7632 -21.4083 -75.6152 -21.4086 -133.95 75.8756 -75.6158 75.875 -14.7183 GPRESSURE: 2420200 -9.56787 -50.9418 17.2264 -17.7468 -103.888 88.6336 -93.4775 33.945 45.2734 PRESSAVG: 2420200 -62.3081 -42.5629 -10.95 -42.5629 18.5351 9.50834 -10.9499 9.50836 33.3023 GPRESSAVG: 2420200 -61.3533 -42.6889 -9.96405 -41.6631 15.9865 9.07452 -10.5063 8.60127 34.8043 TIMING: 2420200 CPU: 7209.48, 0.00299349/step Wall: 7209.48, 0.00299349/step, 2.14517 hours remaining, 206.179688 MB of memory in use. ENERGY: 2420200 759.9191 2086.7066 1935.1668 123.0567 -206068.8654 17560.7488 0.0000 0.0000 34284.9331 -149318.3342 299.4188 -183603.2674 -149211.2462 298.6097 -58.1437 -22.7277 558185.9566 -3.4902 -3.5208 LDB: ============= START OF LOAD BALANCING ============== 7212.9 LDB: ============== END OF LOAD BALANCING =============== 7212.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7212.91 LDB: ============= START OF LOAD BALANCING ============== 7213.21 LDB: Largest compute 4821 load 0.024199 is 20.5% of average load 0.118013 LDB: Average compute 0.001713 is 1.5% of average load 0.118013 LDB: TIME 7213.21 LOAD: AVG 0.118013 MAX 0.206111 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.926 MB LDB: TIME 7213.21 LOAD: AVG 0.118013 MAX 0.206111 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: TIME 7213.21 LOAD: AVG 0.118013 MAX 0.206111 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7213.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7213.21 PRESSURE: 2420400 77.7726 4.57987 -61.9249 4.57866 -241.877 221.6 -61.9244 221.599 373.723 GPRESSURE: 2420400 127.296 50.6225 -56.4281 -71.2213 -220.155 202.642 -46.7963 219.698 383.419 PRESSAVG: 2420400 108.647 7.10377 -56.9506 7.10378 -41.5863 22.7855 -56.9505 22.7856 -32.8921 GPRESSAVG: 2420400 108.457 9.22664 -56.1702 4.98493 -40.532 22.1181 -58.3595 20.719 -33.9432 TIMING: 2420400 CPU: 7210.08, 0.00304076/step Wall: 7210.08, 0.00304076/step, 2.17887 hours remaining, 205.980469 MB of memory in use. ENERGY: 2420400 746.2565 2107.9308 1944.7425 133.3636 -206162.9683 17830.0150 0.0000 0.0000 34307.4274 -149093.2325 299.6153 -183400.6599 -148995.6150 299.3685 69.8730 96.8533 558140.9741 11.3895 11.3272 PRESSURE: 2420600 -178.479 10.1809 2.43085 10.1827 -51.4136 44.3851 2.43144 44.3844 95.8955 GPRESSURE: 2420600 -114.081 44.0202 8.36211 -77.3564 17.9334 41.3077 37.6392 1.44493 69.9206 PRESSAVG: 2420600 9.47229 22.366 -38.7751 22.366 -15.4041 8.53833 -38.775 8.53836 33.0502 GPRESSAVG: 2420600 9.86471 21.3702 -39.6934 22.3308 -14.2242 10.2753 -38.1865 10.3933 32.1933 TIMING: 2420600 CPU: 7210.68, 0.00299126/step Wall: 7210.68, 0.00299126/step, 2.14324 hours remaining, 205.980469 MB of memory in use. ENERGY: 2420600 766.2045 2090.9346 1951.8454 106.4099 -205730.7608 17657.7092 0.0000 0.0000 34187.8906 -148969.7666 298.5714 -183157.6572 -148869.4168 299.8159 -44.6656 -8.7423 557876.7571 9.0395 9.2779 PRESSURE: 2420800 -149.418 -103.902 103.545 -103.903 -83.3914 -22.2622 103.544 -22.2638 -44.1777 GPRESSURE: 2420800 -122.932 -128.351 133.964 -69.9609 -20.7639 -74.0765 76.9296 -11.7973 -42.8765 PRESSAVG: 2420800 -66.8809 -6.00395 12.167 -6.00406 106.949 35.813 12.167 35.8131 -5.21587 GPRESSAVG: 2420800 -67.0147 -5.76354 11.6613 -3.97372 105.631 37.7185 13.5735 33.8766 -3.94581 TIMING: 2420800 CPU: 7211.29, 0.00301051/step Wall: 7211.29, 0.00301051/step, 2.15686 hours remaining, 205.980469 MB of memory in use. ENERGY: 2420800 750.2183 2068.4910 1971.7782 100.0064 -206196.3886 17818.7191 0.0000 0.0000 34385.3931 -149101.7824 300.2962 -183487.1755 -149000.4542 299.6970 -92.3292 -62.1908 559234.5271 11.6175 11.5570 PRESSURE: 2421000 -146.828 27.6134 90.2736 27.6141 -71.6496 -17.2402 90.2728 -17.2399 -278.855 GPRESSURE: 2421000 -151.008 52.9898 114.641 8.13941 -13.9911 8.10822 18.1823 -102.224 -230.669 PRESSAVG: 2421000 -40.7013 11.6943 13.0715 11.6942 19.1334 45.0366 13.0714 45.0364 24.6147 GPRESSAVG: 2421000 -40.0458 11.7104 13.8657 11.8676 18.661 43.7106 10.3538 45.5589 25.0802 TIMING: 2421000 CPU: 7211.88, 0.0029778/step Wall: 7211.88, 0.0029778/step, 2.13326 hours remaining, 205.980469 MB of memory in use. ENERGY: 2421000 729.0857 2142.0562 1958.5543 101.0265 -206234.5847 17761.6785 0.0000 0.0000 34349.2015 -149192.9820 299.9801 -183542.1834 -149100.1609 299.5032 -165.7775 -131.8891 560557.4494 1.0156 1.2318 PRESSURE: 2421200 -204.232 -152.956 -124.747 -152.957 -240.994 -25.2368 -124.747 -25.2367 -190.663 GPRESSURE: 2421200 -179.456 -172.53 -76.3554 -179.587 -175.458 69.9227 -54.2759 1.30655 -191.204 PRESSAVG: 2421200 -7.71121 -10.0149 -13.8156 -10.0149 20.624 -3.80376 -13.8157 -3.8038 -39.0449 GPRESSAVG: 2421200 -9.42905 -9.46254 -13.8772 -10.8074 21.8164 -3.1788 -10.6994 -4.24248 -38.5434 TIMING: 2421200 CPU: 7212.48, 0.00297268/step Wall: 7212.48, 0.00297268/step, 2.12943 hours remaining, 205.980469 MB of memory in use. ENERGY: 2421200 766.2709 2091.6145 1935.5121 109.9548 -206019.4709 17554.9332 0.0000 0.0000 34192.5324 -149368.6532 298.6119 -183561.1855 -149273.1412 299.3258 -211.9630 -182.0393 559392.3946 -8.7107 -8.7187 PRESSURE: 2421400 38.6571 142.589 19.0351 142.589 273.931 0.358507 19.0341 0.358049 -1.13811 GPRESSURE: 2421400 10.485 184.375 17.5014 48.2109 299.305 -49.3185 63.4981 11.1501 103.076 PRESSAVG: 2421400 -9.98751 40.2604 30.777 40.2604 -28.7731 -12.2067 30.777 -12.2067 16.1363 GPRESSAVG: 2421400 -7.89402 39.4099 28.4396 41.0137 -29.7801 -12.4799 30.497 -11.7143 15.7285 TIMING: 2421400 CPU: 7213.07, 0.00298936/step Wall: 7213.07, 0.00298936/step, 2.14121 hours remaining, 205.980469 MB of memory in use. ENERGY: 2421400 728.2857 2062.3656 1981.9535 113.1520 -206620.9804 18111.7756 0.0000 0.0000 34032.7401 -149590.7078 297.2164 -183623.4479 -149495.1483 298.0787 103.8165 137.6220 558673.7645 -7.5414 -7.3152 PRESSURE: 2421600 -113.748 -124.496 -70.369 -124.497 -183.845 21.736 -70.3709 21.7359 -173.567 GPRESSURE: 2421600 -73.2001 -70.2351 -83.4183 -135.053 -152.202 39.2956 -69.068 -19.8696 -154.049 PRESSAVG: 2421600 -21.2722 2.5819 9.18242 2.5818 11.97 27.0214 9.18244 27.0213 29.3835 GPRESSAVG: 2421600 -22.2092 1.23716 12.0522 4.07423 12.2011 26.2292 6.2183 26.1032 29.4398 TIMING: 2421600 CPU: 7213.67, 0.0029657/step Wall: 7213.67, 0.0029657/step, 2.1241 hours remaining, 205.980469 MB of memory in use. ENERGY: 2421600 733.3955 2123.7703 1935.6300 120.3777 -206285.9783 17765.8226 0.0000 0.0000 33992.4646 -149614.5176 296.8646 -183606.9822 -149514.6963 297.8255 -157.0534 -126.4838 559200.7320 6.6938 6.4772 PRESSURE: 2421800 -60.673 17.5481 -106.397 17.5483 -304.944 -187.93 -106.396 -187.929 165.91 GPRESSURE: 2421800 12.9215 111.419 -135.06 -27.4747 -301.465 -207.763 -95.6529 -111.818 185.211 PRESSAVG: 2421800 11.1259 8.30537 7.65149 8.30534 -27.0755 28.1927 7.65148 28.1927 72.76 GPRESSAVG: 2421800 12.6571 8.24893 5.18963 8.08796 -27.8838 27.501 11.7565 30.6221 71.3892 TIMING: 2421800 CPU: 7214.27, 0.00300067/step Wall: 7214.27, 0.00300067/step, 2.14898 hours remaining, 205.980469 MB of memory in use. ENERGY: 2421800 780.1005 2084.3763 1930.5403 110.7061 -206657.1389 17884.6754 0.0000 0.0000 34217.0726 -149649.6677 298.8262 -183866.7403 -149564.1242 298.1289 -66.5689 -34.4443 557540.0863 18.9368 18.7208 PRESSURE: 2422000 228.069 -191.629 -56.3662 -191.629 181.906 45.5946 -56.3652 45.5944 285.006 GPRESSURE: 2422000 289.263 -222.966 -7.7186 -57.4627 180.775 64.9438 -208.928 -20.1906 324.115 PRESSAVG: 2422000 -11.6358 7.44279 -2.6878 7.44284 -52.8374 35.9588 -2.6877 35.9588 15.8643 GPRESSAVG: 2422000 -12.4761 9.58906 0.141129 6.16758 -52.9401 35.964 -5.4793 34.2044 16.8962 TIMING: 2422000 CPU: 7214.87, 0.00299439/step Wall: 7214.87, 0.00299439/step, 2.14431 hours remaining, 205.980469 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: 2422000 715.7266 2138.8158 1963.1756 105.9615 -206430.2011 18069.7243 0.0000 0.0000 34058.7257 -149378.0717 297.4433 -183436.7974 -149285.5501 298.4945 231.6602 264.7175 556784.7473 -16.2030 -16.1733 PRESSURE: 2422200 159.803 51.1662 7.66 51.1657 -194.462 243.531 7.6582 243.532 100.972 GPRESSURE: 2422200 252.145 57.8428 -14.8889 89.6033 -133.118 265.253 -54.4595 207.291 42.055 PRESSAVG: 2422200 64.7246 0.676539 -30.5226 0.676376 -68.6861 48.5438 -30.5226 48.5438 17.3557 GPRESSAVG: 2422200 64.6574 -1.23348 -32.6357 2.06233 -68.0165 49.8992 -29.356 47.509 17.0631 TIMING: 2422200 CPU: 7215.46, 0.00298198/step Wall: 7215.46, 0.00298198/step, 2.13526 hours remaining, 205.980469 MB of memory in use. ENERGY: 2422200 718.1467 2111.1637 1922.6596 93.8365 -206467.4632 17930.4284 0.0000 0.0000 34258.5937 -149432.6346 299.1888 -183691.2283 -149328.6296 299.2487 22.1042 53.6940 556262.1369 4.4648 4.5680 PRESSURE: 2422400 -59.3011 14.6404 -45.0464 14.641 -40.9929 162.678 -45.046 162.676 -447.536 GPRESSURE: 2422400 -43.1515 28.7847 28.987 -39.0205 -34.4277 41.5938 -72.9944 179.6 -378.316 PRESSAVG: 2422400 64.9666 65.032 -5.97159 65.032 33.0495 -19.0382 -5.97167 -19.0382 -39.6714 GPRESSAVG: 2422400 64.537 65.226 -3.55344 64.2882 33.435 -19.3676 -7.45843 -17.5338 -39.6248 TIMING: 2422400 CPU: 7216.06, 0.00298458/step Wall: 7216.06, 0.00298458/step, 2.13696 hours remaining, 205.980469 MB of memory in use. ENERGY: 2422400 743.1896 2085.9610 1953.5980 111.2819 -206048.5523 17538.2250 0.0000 0.0000 34220.7888 -149395.5079 298.8587 -183616.2967 -149295.1688 298.8448 -182.6100 -151.9652 557009.5715 19.4482 19.4491 PRESSURE: 2422600 -186.282 -39.377 -78.1611 -39.3759 -99.0058 2.48982 -78.1601 2.49011 13.1141 GPRESSURE: 2422600 -148.998 -72.1781 -51.7604 -23.0015 -30.8187 -49.2016 -94.5553 34.7866 -0.51796 PRESSAVG: 2422600 71.6353 41.8776 -21.6466 41.8776 1.70561 -37.6095 -21.6465 -37.6095 -70.6302 GPRESSAVG: 2422600 72.9411 42.4654 -22.653 39.947 0.167731 -37.6999 -19.7206 -39.1036 -70.4964 TIMING: 2422600 CPU: 7216.66, 0.0029834/step Wall: 7216.66, 0.0029834/step, 2.13595 hours remaining, 205.980469 MB of memory in use. ENERGY: 2422600 750.0173 2124.0804 1937.6132 116.4986 -206050.6312 17576.3649 0.0000 0.0000 34080.5891 -149465.4677 297.6343 -183546.0567 -149368.6448 298.4054 -90.7245 -60.1115 556620.7956 0.9035 0.8708 PRESSURE: 2422800 -62.4291 -66.1922 -121.153 -66.1907 -13.7172 25.5469 -121.153 25.5473 62.6121 GPRESSURE: 2422800 -13.437 -14.2149 -179.56 -106.525 28.269 -11.5339 -76.1136 -56.2433 71.8987 PRESSAVG: 2422800 26.1315 72.4349 -17.1024 72.4349 -44.11 -42.6197 -17.1025 -42.6196 15.2132 GPRESSAVG: 2422800 25.7645 73.4564 -18.7601 72.9305 -43.0454 -42.5936 -17.8353 -40.6844 14.5621 TIMING: 2422800 CPU: 7217.25, 0.00298026/step Wall: 7217.25, 0.00298026/step, 2.13354 hours remaining, 205.980469 MB of memory in use. ENERGY: 2422800 748.2417 2101.8685 1930.7187 111.4077 -205927.0792 17630.8583 0.0000 0.0000 34138.7960 -149265.1885 298.1426 -183403.9845 -149177.7711 299.1490 -4.5114 28.9102 556421.4928 -0.9217 -0.9063 PRESSURE: 2423000 -247.496 -135.253 -89.8199 -135.253 53.1838 -15.2485 -89.8197 -15.2488 -27.4878 GPRESSURE: 2423000 -195.903 -135.133 -25.9847 -107.341 27.0329 -82.8588 -182.914 -26.9811 45.1843 PRESSAVG: 2423000 25.1374 -47.6258 -33.1788 -47.6257 -26.3239 -46.8474 -33.1788 -46.8474 20.0766 GPRESSAVG: 2423000 24.1258 -48.7914 -30.9524 -48.3617 -25.4249 -48.6869 -34.7026 -47.911 20.1793 TIMING: 2423000 CPU: 7217.85, 0.0029937/step Wall: 7217.85, 0.0029937/step, 2.14299 hours remaining, 205.980469 MB of memory in use. ENERGY: 2423000 755.2699 2092.4267 1962.6565 120.0458 -206199.3067 17833.8382 0.0000 0.0000 34157.6141 -149277.4556 298.3069 -183435.0697 -149183.0116 298.8127 -73.9333 -41.2288 557587.0125 6.2967 6.2934 PRESSURE: 2423200 37.8639 -13.0554 106.545 -13.0554 -99.164 -256.95 106.546 -256.95 -21.4099 GPRESSURE: 2423200 66.9478 -0.191679 147.495 -61.0148 -75.2507 -163.181 144.861 -203.756 15.4591 PRESSAVG: 2423200 34.3862 -62.7787 -36.0378 -62.7787 -20.2712 50.0355 -36.0378 50.0355 -21.6408 GPRESSAVG: 2423200 35.3561 -61.6662 -38.2682 -62.211 -20.6922 51.9917 -34.5082 49.8283 -21.7849 TIMING: 2423200 CPU: 7218.45, 0.00300744/step Wall: 7218.45, 0.00300744/step, 2.15266 hours remaining, 205.980469 MB of memory in use. ENERGY: 2423200 747.8517 2099.4258 1951.2247 120.8870 -206297.1604 17963.6809 0.0000 0.0000 34002.0480 -149412.0423 296.9483 -183414.0902 -149313.3760 298.8687 -27.5700 2.3854 557543.0679 -2.5086 -2.3737 PRESSURE: 2423400 -126.864 -48.1974 229.41 -48.1964 -257.54 -1.35127 229.411 -1.35221 -228.154 GPRESSURE: 2423400 -56.34 -107.521 268.601 7.31416 -233.136 -5.29041 280.912 61.0566 -235.732 PRESSAVG: 2423400 33.1993 -3.32674 0.241413 -3.32677 3.16288 -50.9009 0.24135 -50.9009 -22.145 GPRESSAVG: 2423400 31.663 -2.83801 0.790788 -3.55899 3.88127 -53.9044 0.733398 -49.9461 -21.0635 TIMING: 2423400 CPU: 7219.05, 0.0030063/step Wall: 7219.05, 0.0030063/step, 2.15168 hours remaining, 205.980469 MB of memory in use. ENERGY: 2423400 769.0282 2154.4143 1948.3856 115.1533 -205931.0779 17546.3967 0.0000 0.0000 34176.0003 -149221.6995 298.4675 -183397.6999 -149119.1612 298.7998 -204.1862 -175.0693 559332.9967 4.7391 4.8269 PRESSURE: 2423600 -195.065 32.4001 -123.826 32.3987 -56.2866 70.9383 -123.826 70.937 -165.861 GPRESSURE: 2423600 -224.957 10.4248 -67.4919 69.5041 1.27989 152.089 -159.757 -7.35968 -98.0818 PRESSAVG: 2423600 -0.100845 3.23008 49.2225 3.23012 14.1093 -20.8246 49.2225 -20.8246 27.5384 GPRESSAVG: 2423600 0.786633 2.45672 51.2053 3.07788 13.2624 -17.335 49.2183 -22.8168 27.4686 TIMING: 2423600 CPU: 7219.65, 0.00300947/step Wall: 7219.65, 0.00300947/step, 2.15377 hours remaining, 205.980469 MB of memory in use. ENERGY: 2423600 757.3874 2110.9358 1963.0729 111.5243 -206234.0066 17681.8971 0.0000 0.0000 34377.1688 -149232.0202 300.2244 -183609.1891 -149134.1644 299.6356 -139.0709 -107.2530 556922.8955 13.8490 13.8392 PRESSURE: 2423800 140.331 -252.68 -38.5352 -252.68 200.224 -116.54 -38.5366 -116.54 -24.242 GPRESSURE: 2423800 239.312 -241.698 -37.7074 -353.133 203.356 -78.6907 52.0423 -162.217 -17.9214 PRESSAVG: 2423800 -23.464 -44.4313 52.2562 -44.4314 -0.960473 -37.5284 52.2562 -37.5283 15.4475 GPRESSAVG: 2423800 -23.2364 -45.3047 52.7406 -45.4154 -0.495249 -39.5288 52.0112 -34.5713 15.6457 TIMING: 2423800 CPU: 7220.26, 0.0030195/step Wall: 7220.26, 0.0030195/step, 2.16079 hours remaining, 205.980469 MB of memory in use. ENERGY: 2423800 708.0956 2075.3255 1968.1356 112.2193 -206489.4012 18058.8597 0.0000 0.0000 34318.0970 -149248.6686 299.7085 -183566.7656 -149146.9642 299.0359 105.4377 141.5822 557414.0906 -2.9923 -2.6953 PRESSURE: 2424000 -23.8768 -19.179 -114.035 -19.1803 -21.2015 -62.3098 -114.035 -62.3123 69.0478 GPRESSURE: 2424000 14.3766 -34.0137 -84.0723 46.8304 35.4913 -31.6142 -133.44 -86.6867 71.1719 PRESSAVG: 2424000 -11.632 -28.9905 -25.7087 -28.9905 -10.1062 -40.9518 -25.7087 -40.9518 2.67008 GPRESSAVG: 2424000 -11.306 -27.9312 -26.5575 -27.0991 -10.3351 -41.9842 -26.5524 -40.646 2.26822 TIMING: 2424000 CPU: 7220.86, 0.00300617/step Wall: 7220.86, 0.00300617/step, 2.15108 hours remaining, 205.980469 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: 2424000 754.6179 2100.9437 1954.2621 118.5801 -206281.4971 17876.2125 0.0000 0.0000 34226.1894 -149250.6914 298.9058 -183476.8808 -149159.0230 299.3838 7.9898 40.3466 558674.7448 -6.3560 -6.4576 PRESSURE: 2424200 -332.527 110.278 -158.075 110.278 77.8063 -16.5233 -158.075 -16.5214 -102.725 GPRESSURE: 2424200 -280.399 54.813 -96.4538 139.24 59.1262 -88.8106 -155.189 28.971 -45.5673 PRESSAVG: 2424200 -16.4094 -31.2145 15.3637 -31.2144 18.5129 -18.9258 15.3636 -18.9259 -49.3978 GPRESSAVG: 2424200 -16.772 -31.2518 13.6661 -30.7003 18.275 -18.9383 15.0192 -19.9485 -49.1158 TIMING: 2424200 CPU: 7221.46, 0.00298451/step Wall: 7221.46, 0.00298451/step, 2.13541 hours remaining, 205.980469 MB of memory in use. ENERGY: 2424200 751.0124 2093.9853 1946.0500 121.5451 -205709.7917 17455.7666 0.0000 0.0000 34314.3619 -149027.0705 299.6759 -183341.4324 -148932.7279 299.4285 -119.1488 -88.9468 556779.3839 -15.7648 -15.8709 LDB: ============= START OF LOAD BALANCING ============== 7224.89 LDB: ============== END OF LOAD BALANCING =============== 7224.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7224.89 LDB: ============= START OF LOAD BALANCING ============== 7225.19 LDB: Largest compute 4821 load 0.024621 is 20.9% of average load 0.118063 LDB: Average compute 0.001711 is 1.4% of average load 0.118063 LDB: TIME 7225.19 LOAD: AVG 0.118063 MAX 0.207445 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.496 MB LDB: TIME 7225.19 LOAD: AVG 0.118063 MAX 0.207445 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.504 MB LDB: TIME 7225.19 LOAD: AVG 0.118063 MAX 0.207445 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.504 MB LDB: ============== END OF LOAD BALANCING =============== 7225.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7225.2 PRESSURE: 2424400 -302.052 201.723 -97.0611 201.722 -343.801 94.7803 -97.0611 94.7799 -385.265 GPRESSURE: 2424400 -238.059 320.904 -147.684 121.554 -379.717 98.4059 -101.388 63.6415 -329.77 PRESSAVG: 2424400 -22.8161 22.3527 13.5193 22.3528 27.074 30.731 13.5194 30.7309 14.6916 GPRESSAVG: 2424400 -22.6325 21.4117 14.2886 20.4643 27.5352 32.1167 13.3731 29.9522 14.7374 TIMING: 2424400 CPU: 7222.07, 0.00305603/step Wall: 7222.07, 0.00305603/step, 2.18642 hours remaining, 207.339844 MB of memory in use. ENERGY: 2424400 777.8408 2145.7744 1953.8468 111.8701 -206242.3167 17495.3432 0.0000 0.0000 34392.8521 -149364.7893 300.3613 -183757.6414 -149274.6623 299.3941 -343.7060 -315.8488 558783.4350 6.3165 6.5467 PRESSURE: 2424600 125.063 153.395 -97.3012 153.395 117.068 133.075 -97.303 133.076 239.412 GPRESSURE: 2424600 78.4495 193.464 -67.3864 95.0688 186.921 127.611 -71.7819 178.9 308.712 PRESSAVG: 2424600 -13.6131 84.5117 -35.934 84.5117 45.2201 31.9495 -35.9338 31.9495 0.960585 GPRESSAVG: 2424600 -13.2171 83.8771 -35.8969 85.5398 46.1413 31.3451 -34.7498 31.8338 -0.0685545 TIMING: 2424600 CPU: 7222.67, 0.0029929/step Wall: 7222.67, 0.0029929/step, 2.14109 hours remaining, 207.410156 MB of memory in use. ENERGY: 2424600 779.5477 2104.2318 1936.4852 124.1221 -206376.3128 17993.4538 0.0000 0.0000 34122.8548 -149315.6175 298.0034 -183438.4723 -149221.1177 299.0159 160.5143 191.3609 556815.6276 10.8559 10.9519 PRESSURE: 2424800 104.281 -2.93585 -87.0877 -2.93628 -117.099 -57.9436 -87.0876 -57.9431 -242.421 GPRESSURE: 2424800 142.445 -86.5103 -117.492 -25.4272 -109.676 -55.5533 -86.2544 17.5347 -192.607 PRESSAVG: 2424800 31.9073 -12.5251 -3.18905 -12.5251 28.8844 9.61452 -3.18916 9.61446 2.27358 GPRESSAVG: 2424800 30.9544 -11.6836 -4.63204 -12.9806 28.4088 10.2322 -3.58757 9.26814 3.36869 TIMING: 2424800 CPU: 7223.26, 0.00298764/step Wall: 7223.26, 0.00298764/step, 2.13716 hours remaining, 207.410156 MB of memory in use. ENERGY: 2424800 751.8316 2148.1256 1961.0638 120.6197 -206357.3734 17751.5039 0.0000 0.0000 34195.3674 -149428.8613 298.6366 -183624.2287 -149323.2497 299.0973 -85.0798 -53.2793 556084.2274 21.0218 20.9106 PRESSURE: 2425000 -34.6016 8.40045 -69.8444 8.40137 10.0815 15.5072 -69.845 15.5074 164.061 GPRESSURE: 2425000 -15.0001 11.2598 -162.368 56.6284 27.7747 16.1197 -14.3475 0.371109 202.418 PRESSAVG: 2425000 -5.31619 4.57129 -59.4161 4.57121 -9.41028 32.8898 -59.4161 32.8897 -5.38665 GPRESSAVG: 2425000 -4.28082 4.71959 -59.0953 5.02396 -9.29651 32.805 -59.4631 32.9781 -6.92716 TIMING: 2425000 CPU: 7223.86, 0.00298787/step Wall: 7223.86, 0.00298787/step, 2.13716 hours remaining, 207.410156 MB of memory in use. ENERGY: 2425000 715.6884 2109.7596 1938.8775 117.6795 -206369.9282 17880.9621 0.0000 0.0000 34302.2779 -149304.6833 299.5703 -183606.9612 -149205.1811 299.1684 46.5138 71.7310 557661.7007 -6.7044 -6.8348 PRESSURE: 2425200 -236.526 67.3858 -107.34 67.3851 -36.9982 39.7475 -107.34 39.7453 -393.049 GPRESSURE: 2425200 -204.284 82.9639 -68.3109 79.3731 -32.9806 -59.0553 -96.0605 76.6732 -337.258 PRESSAVG: 2425200 -20.4694 -24.1196 -47.3961 -24.1197 -31.6065 -46.0457 -47.396 -46.0458 2.87663 GPRESSAVG: 2425200 -20.3718 -24.2777 -47.8489 -24.4982 -31.6649 -46.2739 -46.3315 -46.3233 3.26472 TIMING: 2425200 CPU: 7224.47, 0.00302527/step Wall: 7224.47, 0.00302527/step, 2.16374 hours remaining, 207.410156 MB of memory in use. ENERGY: 2425200 747.9531 2122.0297 1923.8410 119.2487 -205882.0223 17494.8905 0.0000 0.0000 34211.6691 -149262.3903 298.7790 -183474.0594 -149172.2741 299.2909 -222.1911 -191.5076 558043.1184 -16.3997 -16.2573 PRESSURE: 2425400 -24.9523 56.7126 90.595 56.7141 2.40952 243.138 90.5949 243.137 -66.9901 GPRESSURE: 2425400 -2.02803 55.8839 131.99 -42.2475 15.1763 212.767 51.1016 270.868 -18.565 PRESSAVG: 2425400 37.4257 -39.6166 -8.04084 -39.6166 -10.7761 -29.3575 -8.04096 -29.3576 -27.391 GPRESSAVG: 2425400 38.3482 -38.523 -7.26118 -40.1568 -12.2509 -26.9171 -6.67068 -28.4673 -26.9051 TIMING: 2425400 CPU: 7225.07, 0.00301636/step Wall: 7225.07, 0.00301636/step, 2.1572 hours remaining, 207.410156 MB of memory in use. ENERGY: 2425400 771.4847 2114.5216 1939.4425 118.3315 -206326.9751 17830.7072 0.0000 0.0000 34230.4590 -149322.0287 298.9431 -183552.4877 -149225.7536 298.8958 -29.8443 -1.8056 558740.6320 -0.2471 -0.2693 PRESSURE: 2425600 169.529 -108.709 -165.448 -108.709 -152.615 -28.4672 -165.448 -28.4664 -150.484 GPRESSURE: 2425600 210.146 -71.8494 -159.471 -126.214 -184.016 -1.57059 -160.309 -15.9657 -70.682 PRESSAVG: 2425600 39.3746 -15.9598 -68.4701 -15.96 -1.51125 -23.2661 -68.4701 -23.2661 19.8238 GPRESSAVG: 2425600 38.2287 -17.7294 -69.4616 -13.9047 0.0865066 -24.4834 -71.6346 -22.1999 19.9659 TIMING: 2425600 CPU: 7225.67, 0.00300865/step Wall: 7225.67, 0.00300865/step, 2.15152 hours remaining, 207.410156 MB of memory in use. ENERGY: 2425600 736.7161 2029.5429 1938.0800 103.4794 -206415.9114 17728.2145 0.0000 0.0000 34438.6821 -149441.1965 300.7616 -183879.8786 -149340.6906 299.2914 -44.5232 -14.8507 557690.1743 19.2290 19.4270 PRESSURE: 2425800 87.88 -55.5813 -56.3379 -55.5807 246.425 -9.40598 -56.3378 -9.40497 329.731 GPRESSURE: 2425800 154.143 -2.52205 -61.048 -144.387 286.172 -7.31792 -29.4195 -91.3364 309.508 PRESSAVG: 2425800 54.9747 9.08226 -42.0545 9.08237 -89.4336 -17.5163 -42.0544 -17.5162 16.3795 GPRESSAVG: 2425800 54.7454 10.5838 -41.5312 8.56588 -88.787 -16.553 -40.8668 -19.132 15.897 TIMING: 2425800 CPU: 7226.27, 0.00301584/step Wall: 7226.27, 0.00301584/step, 2.1565 hours remaining, 207.410156 MB of memory in use. ENERGY: 2425800 749.6136 2107.6518 1951.5260 122.6117 -206865.4380 18117.7934 0.0000 0.0000 34362.9882 -149453.2532 300.1005 -183816.2414 -149356.6416 298.3751 221.3453 249.9409 555474.7835 -6.0264 -6.0482 PRESSURE: 2426000 54.4281 77.5968 16.0625 77.5952 -332.434 92.3073 16.061 92.3073 141.181 GPRESSURE: 2426000 27.7768 69.4639 -9.89617 113.83 -300.827 28.84 63.4831 106.689 232.907 PRESSAVG: 2426000 34.093 -11.2701 -9.24781 -11.2701 -53.8608 24.4413 -9.24778 24.4414 74.0204 GPRESSAVG: 2426000 33.2962 -11.3402 -12.3256 -11.2366 -54.244 22.0235 -7.30361 26.3195 74.9082 TIMING: 2426000 CPU: 7226.88, 0.00302067/step Wall: 7226.88, 0.00302067/step, 2.15978 hours remaining, 207.410156 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: 2426000 707.2079 2070.0938 1938.2882 114.9129 -206037.2539 17654.9847 0.0000 0.0000 34223.8275 -149327.9389 298.8852 -183551.7663 -149231.5204 298.6990 -45.6080 -13.3812 557369.0060 18.0842 17.9868 PRESSURE: 2426200 -312.856 19.3285 70.9126 19.3301 -148.501 202.346 70.9115 202.344 -244.87 GPRESSURE: 2426200 -259.366 3.73225 46.1027 36.7082 -128.25 225.86 29.5468 127.377 -212.734 PRESSAVG: 2426200 28.5284 2.33764 5.29117 2.33757 -49.8226 -0.0136456 5.29125 -0.0136335 53.542 GPRESSAVG: 2426200 29.2744 0.598535 8.33091 -0.387546 -50.3704 1.502 2.96116 -1.48404 52.902 TIMING: 2426200 CPU: 7227.48, 0.00301907/step Wall: 7227.48, 0.00301907/step, 2.15846 hours remaining, 207.410156 MB of memory in use. ENERGY: 2426200 755.0167 2120.2154 1939.7458 119.8040 -206182.2193 17674.9211 0.0000 0.0000 34162.7263 -149409.7902 298.3516 -183572.5164 -149321.9882 299.4512 -235.4091 -200.1165 558008.6392 10.7493 10.6020 PRESSURE: 2426400 109.802 -232.625 63.161 -232.624 -167.666 38.1784 63.16 38.1794 -101.952 GPRESSURE: 2426400 125.95 -280.168 64.0356 -183.195 -121.876 29.6266 -8.22425 -11.1664 -76.6848 PRESSAVG: 2426400 25.3802 -52.9135 -0.198544 -52.9135 -14.0588 -32.3454 -0.198539 -32.3454 24.6244 GPRESSAVG: 2426400 26.3011 -50.1903 0.175886 -51.3642 -14.2443 -32.4029 -1.15739 -29.5531 24.0063 TIMING: 2426400 CPU: 7228.08, 0.00298635/step Wall: 7228.08, 0.00298635/step, 2.13491 hours remaining, 207.410156 MB of memory in use. ENERGY: 2426400 733.5083 2084.2968 1942.3377 107.3704 -206431.3461 17773.1841 0.0000 0.0000 34319.0221 -149471.6268 299.7166 -183790.6488 -149362.5969 298.6678 -53.2720 -24.2038 557517.8182 11.9819 12.0210 PRESSURE: 2426600 228.27 40.7741 118.201 40.7744 -108.556 11.847 118.202 11.8457 -49.4575 GPRESSURE: 2426600 220.442 -39.3216 48.0744 47.3904 -85.2396 -73.4714 168.72 110.063 35.8307 PRESSAVG: 2426600 50.3643 -17.7397 -25.6274 -17.7398 -19.8652 2.81166 -25.6273 2.81171 -39.8294 GPRESSAVG: 2426600 49.3036 -19.8639 -24.9204 -18.1425 -19.5905 2.40023 -23.8447 0.749032 -39.0619 TIMING: 2426600 CPU: 7228.68, 0.00297574/step Wall: 7228.68, 0.00297574/step, 2.12716 hours remaining, 207.410156 MB of memory in use. ENERGY: 2426600 776.4334 2096.7608 1953.6167 111.8757 -206576.4565 18061.7386 0.0000 0.0000 34178.4213 -149397.6100 298.4887 -183576.0313 -149300.5976 298.4099 23.4188 57.0109 557057.3843 -3.1101 -3.1162 PRESSURE: 2426800 -187.781 39.0019 -175.705 39.0024 -160.749 -55.1419 -175.705 -55.1428 -223.889 GPRESSURE: 2426800 -153.114 25.0203 -98.5008 57.3911 -148.844 -55.5723 -75.7371 -110.835 -172.478 PRESSAVG: 2426800 39.2612 23.76 -34.0082 23.76 -38.4904 -69.4559 -34.0083 -69.456 29.5316 GPRESSAVG: 2426800 40.2212 25.7817 -33.5515 23.7507 -38.8464 -70.6262 -33.2327 -70.1454 28.8759 TIMING: 2426800 CPU: 7229.27, 0.00298139/step Wall: 7229.27, 0.00298139/step, 2.13103 hours remaining, 207.410156 MB of memory in use. ENERGY: 2426800 723.8587 2095.1290 1963.3430 111.0868 -206121.2149 17721.2185 0.0000 0.0000 34177.5285 -149329.0504 298.4809 -183506.5788 -149227.6467 298.5499 -190.8063 -158.1451 557942.4239 10.1008 10.0836 PRESSURE: 2427000 -91.8374 45.9378 15.5457 45.9384 -33.731 57.8515 15.5455 57.8522 -159.458 GPRESSURE: 2427000 -144.001 44.8584 45.2946 60.4819 28.8522 60.7002 -4.72032 40.1751 -73.7925 PRESSAVG: 2427000 6.38473 6.68684 -31.6658 6.68678 -32.271 -13.1817 -31.6659 -13.1817 -26.2409 GPRESSAVG: 2427000 6.44442 8.51412 -31.6126 4.69893 -31.7098 -12.5895 -32.6787 -11.9522 -26.4236 TIMING: 2427000 CPU: 7229.87, 0.00298944/step Wall: 7229.87, 0.00298944/step, 2.13662 hours remaining, 207.410156 MB of memory in use. ENERGY: 2427000 761.6359 2122.1725 1969.3337 107.3395 -206261.0190 17799.2687 0.0000 0.0000 34230.2101 -149271.0586 298.9409 -183501.2687 -149177.3644 299.6574 -95.0089 -62.9805 557742.3107 -17.3757 -17.2297 PRESSURE: 2427200 -18.6728 -148.12 88.5933 -148.12 -353.844 133.908 88.5942 133.908 -226.431 GPRESSURE: 2427200 5.85929 -214.738 91.4366 -48.1876 -265.216 73.4017 54.4398 126.814 -243.701 PRESSAVG: 2427200 -2.59582 31.9101 42.4159 31.9101 -50.7503 -10.519 42.4159 -10.519 68.6566 GPRESSAVG: 2427200 -3.37865 31.0686 39.3897 33.2377 -50.954 -10.3285 42.4873 -11.228 69.7019 TIMING: 2427200 CPU: 7230.47, 0.00299024/step Wall: 7230.47, 0.00299024/step, 2.13703 hours remaining, 207.410156 MB of memory in use. ENERGY: 2427200 762.8578 2100.2081 1952.6052 110.3446 -205818.5032 17471.1468 0.0000 0.0000 34046.5336 -149374.8071 297.3368 -183421.3407 -149269.3332 299.2569 -199.6494 -167.6859 556715.5041 5.1035 5.1231 PRESSURE: 2427400 22.9882 -30.2405 176.21 -30.241 165.543 -75.2825 176.21 -75.2815 33.3709 GPRESSURE: 2427400 59.6724 53.1877 238.493 -57.0286 169.257 -120.435 80.6975 18.7151 81.8599 PRESSAVG: 2427400 40.7805 49.2677 -24.14 49.2679 51.434 13.5127 -24.14 13.5127 -68.2672 GPRESSAVG: 2427400 40.829 47.0362 -21.77 50.3303 52.054 12.9308 -22.841 14.6589 -69.4443 TIMING: 2427400 CPU: 7231.06, 0.00297294/step Wall: 7231.06, 0.00297294/step, 2.1245 hours remaining, 207.410156 MB of memory in use. ENERGY: 2427400 755.9163 2062.1875 1939.9323 114.6911 -206300.3543 17838.0382 0.0000 0.0000 34231.1489 -149358.4400 298.9491 -183589.5890 -149264.4590 299.4168 73.9674 103.5965 554791.6440 7.9825 7.8129 PRESSURE: 2427600 -351.994 53.0426 22.685 53.0421 -262.625 93.426 22.6847 93.4284 -282.251 GPRESSURE: 2427600 -370.27 109.789 55.1614 21.2714 -250.431 86.0569 -47.6505 -34.833 -187.765 PRESSAVG: 2427600 87.9824 -48.4129 -7.39748 -48.4129 -57.9884 24.638 -7.39748 24.6379 -10.3258 GPRESSAVG: 2427600 88.6199 -47.8582 -8.26689 -49.1209 -58.9362 24.114 -9.28429 24.1127 -9.9072 TIMING: 2427600 CPU: 7231.67, 0.00301792/step Wall: 7231.67, 0.00301792/step, 2.15647 hours remaining, 207.410156 MB of memory in use. ENERGY: 2427600 769.7984 2084.8608 1948.5796 117.7501 -205814.5791 17320.4758 0.0000 0.0000 34186.3876 -149386.7268 298.5582 -183573.1144 -149293.5823 298.4958 -298.9565 -269.4885 557746.2956 6.5560 6.5922 PRESSURE: 2427800 195.938 41.5691 -76.5179 41.5686 -45.1628 -238.144 -76.5175 -238.145 119.974 GPRESSURE: 2427800 214.816 105.748 -185.651 1.88006 31.933 -205.18 34.6111 -159.433 129.449 PRESSAVG: 2427800 10.8343 45.5472 3.87369 45.5472 -75.9137 -32.5759 3.87373 -32.576 28.1339 GPRESSAVG: 2427800 10.2155 45.5655 4.08192 44.9728 -75.7468 -31.9813 4.02294 -32.1309 29.0387 TIMING: 2427800 CPU: 7232.26, 0.00297727/step Wall: 7232.26, 0.00297727/step, 2.12726 hours remaining, 207.410156 MB of memory in use. ENERGY: 2427800 717.3953 2050.4648 1972.2316 109.5636 -206315.8527 17904.0134 0.0000 0.0000 34126.8749 -149435.3091 298.0385 -183562.1840 -149337.6955 298.6284 90.2496 125.3995 556651.9069 -12.3152 -12.1642 PRESSURE: 2428000 -137.851 -59.9077 108.299 -59.9085 -159.171 -2.61924 108.299 -2.61843 -20.9234 GPRESSURE: 2428000 -78.9773 -30.6809 159.572 -50.6527 -149.284 -126.118 98.1604 94.5257 -5.87763 PRESSAVG: 2428000 83.8297 -20.9192 -32.7666 -20.9193 -53.0176 2.87721 -32.7667 2.87712 8.53071 GPRESSAVG: 2428000 84.3761 -20.5507 -33.1568 -20.9963 -53.0159 3.60115 -31.9056 1.38531 8.16848 TIMING: 2428000 CPU: 7232.86, 0.00298403/step Wall: 7232.86, 0.00298403/step, 2.13192 hours remaining, 207.410156 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: 2428000 734.6417 2160.5979 1939.9471 116.2264 -206114.8486 17660.1627 0.0000 0.0000 34081.8888 -149421.3839 297.6456 -183503.2727 -149327.0469 298.7447 -105.9818 -78.0464 557514.4019 13.1142 13.1762 PRESSURE: 2428200 -7.22293 18.8535 9.70595 18.8533 3.28932 -119.141 9.70493 -119.14 5.97276 GPRESSURE: 2428200 93.4857 153.824 66.6756 8.99786 53.4916 -60.4086 17.7601 -125.941 -44.7621 PRESSAVG: 2428200 42.5547 9.54045 45.4528 9.54044 45.9319 -2.34103 45.4528 -2.34109 -38.0661 GPRESSAVG: 2428200 43.7597 10.8031 46.0707 7.7593 46.0003 -3.06023 45.9339 -0.101998 -39.9368 TIMING: 2428200 CPU: 7233.46, 0.00298944/step Wall: 7233.46, 0.00298944/step, 2.13562 hours remaining, 207.410156 MB of memory in use. ENERGY: 2428200 748.5030 2082.3030 1951.1029 102.7641 -206658.6381 18071.8911 0.0000 0.0000 34181.5220 -149520.5521 298.5157 -183702.0741 -149422.5003 298.3923 0.6797 34.0717 559008.3837 16.8068 16.6077 LDB: ============= START OF LOAD BALANCING ============== 7236.88 LDB: ============== END OF LOAD BALANCING =============== 7236.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7236.88 LDB: ============= START OF LOAD BALANCING ============== 7237.18 LDB: Largest compute 4821 load 0.024234 is 20.5% of average load 0.118149 LDB: Average compute 0.001710 is 1.4% of average load 0.118149 LDB: TIME 7237.18 LOAD: AVG 0.118149 MAX 0.202921 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.215 MB LDB: TIME 7237.18 LOAD: AVG 0.118149 MAX 0.202921 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.215 MB LDB: TIME 7237.18 LOAD: AVG 0.118149 MAX 0.202921 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.215 MB LDB: ============== END OF LOAD BALANCING =============== 7237.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7237.19 PRESSURE: 2428400 -277.055 -22.4517 -151.193 -22.4511 101.79 -128.11 -151.193 -128.11 116.466 GPRESSURE: 2428400 -251.85 39.8521 -109.911 38.4209 122.526 -150.517 -216.066 -119.211 157.606 PRESSAVG: 2428400 2.07771 24.3031 24.8843 24.3031 14.2936 -52.2282 24.8844 -52.2282 -6.82545 GPRESSAVG: 2428400 1.26977 21.7254 24.8136 26.6898 14.3035 -50.8835 23.7625 -54.9959 -6.29823 TIMING: 2428400 CPU: 7234.06, 0.00302974/step Wall: 7234.06, 0.00302974/step, 2.16424 hours remaining, 205.417969 MB of memory in use. ENERGY: 2428400 690.7349 2107.8848 1918.1918 113.2350 -206295.6758 17839.9898 0.0000 0.0000 34177.9606 -149447.6789 298.4846 -183625.6395 -149345.6806 298.3212 -19.5997 9.4271 558813.5894 3.1820 3.0917 PRESSURE: 2428600 32.9745 42.0331 83.0702 42.0333 110.346 16.582 83.0711 16.5824 117.208 GPRESSURE: 2428600 64.3773 91.7829 209.747 4.74816 175.735 72.3899 4.81047 -27.5425 115.998 PRESSAVG: 2428600 -45.3143 -48.9408 -37.5082 -48.9407 14.7177 -1.62689 -37.5083 -1.62684 33.0657 GPRESSAVG: 2428600 -46.1701 -48.9104 -35.0337 -49.4364 15.3362 -4.0815 -39.9735 0.983855 32.9893 TIMING: 2428600 CPU: 7234.66, 0.00299618/step Wall: 7234.66, 0.00299618/step, 2.1401 hours remaining, 205.417969 MB of memory in use. ENERGY: 2428600 721.8839 2079.4661 1941.8543 103.9034 -206206.3101 17812.1580 0.0000 0.0000 34166.1636 -149380.8807 298.3816 -183547.0443 -149296.2512 298.4482 86.8430 118.7034 558277.1137 0.8230 0.7185 PRESSURE: 2428800 181.226 194.471 106.11 194.471 87.1292 68.099 106.11 68.0997 -86.9376 GPRESSURE: 2428800 188.918 189.628 139.898 179.541 112.154 74.7502 99.2158 102.654 -30.066 PRESSAVG: 2428800 86.7469 53.2129 -20.0295 53.213 -55.1896 -6.66042 -20.0297 -6.66035 -25.4935 GPRESSAVG: 2428800 87.8053 54.5782 -20.7862 52.8054 -56.1326 -5.48478 -20.4403 -6.2855 -25.6418 TIMING: 2428800 CPU: 7235.26, 0.00298951/step Wall: 7235.26, 0.00298951/step, 2.13517 hours remaining, 205.417969 MB of memory in use. ENERGY: 2428800 719.1295 2091.6089 1947.1247 112.4024 -206472.6429 17992.0378 0.0000 0.0000 34285.5451 -149324.7945 299.4242 -183610.3396 -149228.9934 299.0192 60.4726 90.3353 557701.8047 2.0212 2.0103 PRESSURE: 2429000 -86.7227 36.2145 133.232 36.2145 -26.8325 -122.019 133.231 -122.02 -172.615 GPRESSURE: 2429000 -91.2231 0.543992 170.956 50.8642 4.61279 -14.3432 111.305 -221.674 -110.184 PRESSAVG: 2429000 9.04687 63.4876 -18.1707 63.4877 0.0437354 7.78014 -18.1708 7.78018 9.04591 GPRESSAVG: 2429000 7.89503 64.2177 -18.3458 63.089 1.29552 9.35048 -15.6999 5.53937 8.38106 TIMING: 2429000 CPU: 7235.86, 0.00299873/step Wall: 7235.86, 0.00299873/step, 2.1416 hours remaining, 205.417969 MB of memory in use. ENERGY: 2429000 727.9794 2036.2036 1951.7066 122.1700 -205957.9356 17648.7102 0.0000 0.0000 34214.4154 -149256.7504 298.8030 -183471.1658 -149162.5540 298.8873 -95.3902 -65.5983 558108.6337 6.0455 5.8572 PRESSURE: 2429200 -62.151 -153.545 34.33 -153.545 -45.9125 44.9661 34.3299 44.9658 66.6576 GPRESSURE: 2429200 -35.2805 -161.102 58.2361 -133.054 40.7173 13.9671 79.3765 137.906 47.7418 PRESSAVG: 2429200 -17.4129 18.6369 12.901 18.6369 45.0409 17.0839 12.901 17.0838 -31.0661 GPRESSAVG: 2429200 -17.0513 17.0917 13.2912 20.43 43.809 16.8586 9.46012 17.184 -30.406 TIMING: 2429200 CPU: 7236.46, 0.00301709/step Wall: 7236.46, 0.00301709/step, 2.15454 hours remaining, 205.417969 MB of memory in use. ENERGY: 2429200 709.1454 2077.2630 1925.4575 113.4413 -206217.7639 17812.2096 0.0000 0.0000 34183.5050 -149396.7422 298.5331 -183580.2472 -149300.2397 299.2401 -13.8020 17.7262 557287.6418 -1.1460 -1.2161 PRESSURE: 2429400 -104.8 -59.4745 -79.4243 -59.474 -223.572 28.4821 -79.4243 28.4806 19.1704 GPRESSURE: 2429400 -121.943 -62.7654 -26.4259 43.467 -215.798 -29.8112 -1.30046 7.61706 114.467 PRESSAVG: 2429400 -75.7657 -3.21231 -13.2846 -3.21228 21.2562 11.0068 -13.2847 11.0068 54.1303 GPRESSAVG: 2429400 -75.4918 -3.43068 -15.9892 -5.12353 20.1241 9.34026 -10.925 11.2635 55.1324 TIMING: 2429400 CPU: 7237.06, 0.00300132/step Wall: 7237.06, 0.00300132/step, 2.14311 hours remaining, 205.417969 MB of memory in use. ENERGY: 2429400 743.6504 2067.5324 1919.6595 110.4342 -206377.9750 17794.9883 0.0000 0.0000 34272.3131 -149469.3971 299.3086 -183741.7102 -149368.7751 298.8400 -103.0672 -74.4244 557648.1195 -0.1264 -0.0784 PRESSURE: 2429600 35.8868 -69.3305 20.9441 -69.3305 -89.3 -52.5494 20.9442 -52.5499 -38.4283 GPRESSURE: 2429600 49.1471 -44.3959 25.8637 -31.5163 -45.1404 -65.7598 149.407 26.423 10.5181 PRESSAVG: 2429600 -44.7827 -55.9551 -24.2172 -55.9551 8.6956 -13.5569 -24.2172 -13.557 28.1059 GPRESSAVG: 2429600 -45.4473 -55.8651 -22.4926 -57.4245 10.3859 -12.9374 -23.6096 -11.8704 26.94 TIMING: 2429600 CPU: 7237.66, 0.00298984/step Wall: 7237.66, 0.00298984/step, 2.13475 hours remaining, 205.417969 MB of memory in use. ENERGY: 2429600 738.5844 2108.6664 1929.4988 99.4272 -206342.1015 17792.4324 0.0000 0.0000 34262.0874 -149411.4049 299.2193 -183673.4923 -149311.0180 298.9227 -30.6138 4.8416 556297.2862 -2.6604 -2.7072 PRESSURE: 2429800 -140.527 87.5979 11.2975 87.5973 -58.0835 -78.4276 11.2965 -78.428 -91.0761 GPRESSURE: 2429800 -93.0967 18.0604 17.8995 183.683 -15.5899 -120.279 -21.9948 -60.8409 -87.0424 PRESSAVG: 2429800 8.98469 70.2196 -48.7119 70.2197 18.4583 -9.85081 -48.7119 -9.85068 59.3528 GPRESSAVG: 2429800 8.83048 70.343 -51.2048 71.2836 17.7876 -11.166 -46.9758 -12.0338 60.093 TIMING: 2429800 CPU: 7238.26, 0.00298188/step Wall: 7238.26, 0.00298188/step, 2.1289 hours remaining, 205.417969 MB of memory in use. ENERGY: 2429800 797.7713 2112.7907 1951.2604 105.9820 -206667.7721 17949.3890 0.0000 0.0000 34409.9313 -149340.6475 300.5105 -183750.5788 -149246.9347 298.9625 -96.5621 -65.2430 557240.3598 28.9320 28.9037 PRESSURE: 2430000 4.32653 6.46842 73.0158 6.46752 83.9116 -93.0465 73.0167 -93.0449 -122.077 GPRESSURE: 2430000 54.6311 8.89124 18.8258 -16.3973 101.645 -115.886 80.0291 -82.9969 -103.777 PRESSAVG: 2430000 42.1463 48.833 49.1302 48.833 -5.93906 -21.5946 49.1302 -21.5946 -52.8373 GPRESSAVG: 2430000 43.2375 47.9043 49.6873 50.5403 -6.28131 -18.5865 46.6403 -22.5556 -53.9337 TIMING: 2430000 CPU: 7238.86, 0.00301863/step Wall: 7238.86, 0.00301863/step, 2.15496 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: 2430000 751.0490 2130.4965 1954.0728 112.9802 -206289.0814 18001.5109 0.0000 0.0000 34162.6962 -149176.2758 298.3513 -183338.9720 -149082.0028 299.4247 -11.2796 17.4997 558255.2973 -5.5434 -5.6592 PRESSURE: 2430200 -52.8444 -5.95405 -65.7842 -5.95391 152.853 17.1958 -65.7839 17.1968 -41.3825 GPRESSURE: 2430200 57.2054 -20.6867 -40.2942 68.1453 84.2067 47.453 -136.904 51.3176 16.1241 PRESSAVG: 2430200 57.2003 -2.64146 -28.276 -2.64152 -29.1246 73.44 -28.2759 73.44 -12.1917 GPRESSAVG: 2430200 56.5951 -3.22218 -28.3391 -2.2247 -27.9828 71.3557 -25.5157 75.3781 -12.5927 TIMING: 2430200 CPU: 7239.46, 0.00299762/step Wall: 7239.46, 0.00299762/step, 2.1398 hours remaining, 205.417969 MB of memory in use. ENERGY: 2430200 732.3368 2101.8391 1929.0820 113.7963 -206345.6811 17941.3369 0.0000 0.0000 34388.3358 -149138.9543 300.3219 -183527.2901 -149042.9391 299.5854 19.5419 52.5121 557383.2934 5.2947 5.3399 PRESSURE: 2430400 -98.3067 -129.46 140.882 -129.46 -188.232 34.1176 140.881 34.1156 148.793 GPRESSURE: 2430400 -29.7137 -127.898 148.584 -70.28 -100.585 76.9083 119.434 6.77307 85.178 PRESSAVG: 2430400 67.1826 -0.869331 6.68831 -0.869305 -24.3055 18.7922 6.68834 18.7922 -19.0326 GPRESSAVG: 2430400 66.5144 0.887825 6.54756 -1.82637 -23.3604 19.2912 5.00515 19.7135 -19.1267 TIMING: 2430400 CPU: 7240.06, 0.0029808/step Wall: 7240.06, 0.0029808/step, 2.12763 hours remaining, 205.417969 MB of memory in use. ENERGY: 2430400 708.4803 2087.4375 1949.3313 128.5898 -206287.7111 17656.6739 0.0000 0.0000 34482.7121 -149274.4863 301.1461 -183757.1984 -149174.2758 299.0877 -45.9152 -15.0401 556856.0822 7.9482 8.0091 PRESSURE: 2430600 -37.8941 87.7201 187.945 87.7221 215.478 46.5175 187.945 46.5191 -83.5755 GPRESSURE: 2430600 9.00229 94.8598 207.943 153.815 204.497 88.1127 218.071 61.2367 -17.1758 PRESSAVG: 2430600 11.5005 34.9336 -13.243 34.9336 -19.371 49.1857 -13.2431 49.1858 -1.04117 GPRESSAVG: 2430600 12.7811 36.2559 -12.2506 34.2106 -21.1397 48.0033 -14.3202 49.8008 0.236572 TIMING: 2430600 CPU: 7240.66, 0.00300251/step Wall: 7240.66, 0.00300251/step, 2.14296 hours remaining, 205.417969 MB of memory in use. ENERGY: 2430600 756.3473 2079.0783 1920.5742 105.0692 -205999.0758 17890.5859 0.0000 0.0000 33936.4775 -149310.9433 296.3757 -183247.4208 -149214.1954 299.2155 31.3363 65.4412 557778.9189 -2.9706 -2.7074 PRESSURE: 2430800 118.28 157.051 -9.47313 157.049 -137.744 6.46456 -9.47468 6.46339 217.224 GPRESSURE: 2430800 179.724 102.876 47.85 88.9716 -81.6644 -12.7788 -81.7027 23.6973 199.767 PRESSAVG: 2430800 -43.8919 13.6427 -43.711 13.6427 56.6151 -12.5768 -43.7109 -12.5768 0.24873 GPRESSAVG: 2430800 -44.5627 13.8489 -42.8893 12.4826 57.1073 -10.7899 -44.5066 -14.6946 0.642348 TIMING: 2430800 CPU: 7241.25, 0.00296374/step Wall: 7241.25, 0.00296374/step, 2.11512 hours remaining, 205.417969 MB of memory in use. ENERGY: 2430800 731.9493 1993.6729 1946.2864 106.9229 -206561.5695 17944.8878 0.0000 0.0000 34495.6858 -149342.1645 301.2594 -183837.8502 -149249.6068 299.1389 65.9198 99.2754 557217.7422 4.3240 4.3956 PRESSURE: 2431000 204.513 -98.484 -18.2914 -98.4833 -10.7406 -66.053 -18.289 -66.0521 99.789 GPRESSURE: 2431000 241.801 -121.595 -33.3811 -81.4439 42.1654 -90.7487 -39.2852 -11.2181 94.1108 PRESSAVG: 2431000 -6.3295 24.9238 -20.1864 24.9238 22.4522 -9.67333 -20.1864 -9.67342 -17.1012 GPRESSAVG: 2431000 -4.85425 21.626 -23.3973 25.2699 21.9252 -8.88332 -17.4965 -10.6409 -18.4275 TIMING: 2431000 CPU: 7241.84, 0.00297767/step Wall: 7241.84, 0.00297767/step, 2.1249 hours remaining, 205.417969 MB of memory in use. ENERGY: 2431000 729.4718 2057.4301 1943.5512 108.9611 -206630.0454 18136.4945 0.0000 0.0000 34196.8227 -149457.3139 298.6494 -183654.1366 -149353.8493 299.0874 97.8539 126.0257 558218.7906 -0.3262 -0.4522 PRESSURE: 2431200 101.908 -29.7316 9.60021 -29.7341 -91.9353 -165.612 9.59929 -165.613 179.773 GPRESSURE: 2431200 115.567 -58.4588 -44.5202 -64.1344 -39.3394 -149.354 108.63 -162.436 213.16 PRESSAVG: 2431200 -9.68893 -12.1493 -12.5349 -12.1494 -47.8576 42.3039 -12.5349 42.3039 12.3009 GPRESSAVG: 2431200 -10.2302 -12.0329 -9.76084 -11.298 -47.9732 41.21 -13.3483 44.286 12.7724 TIMING: 2431200 CPU: 7242.44, 0.00298889/step Wall: 7242.44, 0.00298889/step, 2.13274 hours remaining, 205.417969 MB of memory in use. ENERGY: 2431200 756.7123 2080.3014 1919.6777 112.7759 -206323.3648 17886.8839 0.0000 0.0000 34151.6768 -149415.3368 298.2551 -183567.0136 -149322.2571 298.4062 63.2486 96.4629 558421.2797 -15.0819 -15.1437 PRESSURE: 2431400 -712.268 -61.417 -76.9569 -61.4176 -506.352 82.3682 -76.9584 82.3691 -301.772 GPRESSURE: 2431400 -628.844 -66.8032 -79.2871 -77.3885 -500.141 94.1098 -114.21 71.4485 -301.236 PRESSAVG: 2431400 34.1555 4.30499 -66.3409 4.30499 -29.2405 2.62648 -66.3409 2.62646 17.7135 GPRESSAVG: 2431400 33.2863 4.71575 -66.1743 4.52768 -29.2238 3.97609 -65.6891 -0.360325 18.194 TIMING: 2431400 CPU: 7243.04, 0.00297588/step Wall: 7243.04, 0.00297588/step, 2.12329 hours remaining, 205.417969 MB of memory in use. ENERGY: 2431400 804.0158 2120.3809 1965.9959 105.1004 -205822.2255 17223.1784 0.0000 0.0000 34267.5510 -149336.0031 299.2670 -183603.5540 -149238.9821 298.7954 -506.7976 -476.7401 559831.7395 7.5428 7.4188 PRESSURE: 2431600 -99.7249 -34.4386 53.5074 -34.4387 16.5002 64.934 53.5063 64.9331 -125.005 GPRESSURE: 2431600 -70.9296 -55.1894 210.301 -45.4814 47.6889 39.1684 -83.0257 44.6898 -77.9697 PRESSAVG: 2431600 0.726422 -35.6448 -18.7532 -35.6448 15.0248 27.8855 -18.7533 27.8854 -13.4861 GPRESSAVG: 2431600 1.03227 -34.6151 -18.3041 -36.0396 15.2682 24.8075 -19.415 30.1301 -13.0807 TIMING: 2431600 CPU: 7243.63, 0.00296392/step Wall: 7243.63, 0.00296392/step, 2.1146 hours remaining, 205.417969 MB of memory in use. ENERGY: 2431600 751.0267 2056.6436 1953.5725 105.2809 -205958.4806 17487.6059 0.0000 0.0000 34359.4720 -149244.8791 300.0698 -183604.3511 -149151.7656 299.0545 -69.4099 -33.7368 556621.4287 0.7550 1.0733 PRESSURE: 2431800 158.945 -62.4716 171.404 -62.4711 -15.602 77.9734 171.405 77.9746 -213.342 GPRESSURE: 2431800 247.258 -22.9634 73.5966 -120.015 -12.7517 80.5736 153.038 83.2969 -221.536 PRESSAVG: 2431800 1.42208 -13.0915 -8.99076 -13.0915 36.7303 -14.1142 -8.99067 -14.1143 -92.4545 GPRESSAVG: 2431800 2.2371 -14.1962 -11.0921 -11.6971 36.8062 -11.6003 -9.12506 -14.345 -93.6922 TIMING: 2431800 CPU: 7244.22, 0.00295315/step Wall: 7244.22, 0.00295315/step, 2.10674 hours remaining, 205.417969 MB of memory in use. ENERGY: 2431800 703.5231 2107.9395 1956.0658 115.4330 -206102.2738 17744.2890 0.0000 0.0000 34271.1266 -149203.8969 299.2983 -183475.0235 -149102.7757 299.4672 -23.3331 4.3235 556882.6997 -18.1007 -18.2163 PRESSURE: 2432000 -115.232 -74.8848 123.926 -74.8849 -183.865 42.6334 123.926 42.632 -109.777 GPRESSURE: 2432000 -75.1237 -44.9878 223.543 -77.5435 -172.924 57.4065 48.6861 78.7841 -60.5322 PRESSAVG: 2432000 59.9579 -62.8722 -5.81999 -62.8722 12.7252 20.6258 -5.82003 20.6258 -37.0201 GPRESSAVG: 2432000 58.6617 -61.6673 -4.04202 -63.1236 13.0835 17.8638 -5.35014 21.3455 -36.5283 TIMING: 2432000 CPU: 7244.82, 0.00297179/step Wall: 7244.82, 0.00297179/step, 2.11988 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: 2432000 777.8455 2081.2285 1971.8662 120.0855 -206205.5751 17838.7236 0.0000 0.0000 34192.6005 -149223.2253 298.6125 -183415.8258 -149122.8110 299.5563 -136.2915 -102.8601 558321.0550 11.8877 11.7390 PRESSURE: 2432200 -269.426 205.386 -10.0476 205.385 -292.779 57.0837 -10.048 57.0839 -163.945 GPRESSURE: 2432200 -232.837 99.1019 23.0005 189.893 -280.764 41.0044 -60.7232 39.6975 -120.621 PRESSAVG: 2432200 -8.53577 8.06085 -5.64438 8.06075 -20.0749 36.7253 -5.6444 36.7252 9.35682 GPRESSAVG: 2432200 -6.46563 7.27884 -5.23384 8.00996 -21.671 36.8375 -5.80734 36.2372 9.30215 TIMING: 2432200 CPU: 7245.41, 0.0029907/step Wall: 7245.41, 0.0029907/step, 2.1332 hours remaining, 205.417969 MB of memory in use. ENERGY: 2432200 761.5299 2144.7072 1952.7033 117.4414 -205982.0578 17472.0303 0.0000 0.0000 34269.4741 -149264.1714 299.2838 -183533.6455 -149164.8286 298.7984 -242.0497 -211.4071 559877.0342 -6.4180 -6.2782 LDB: ============= START OF LOAD BALANCING ============== 7248.85 LDB: ============== END OF LOAD BALANCING =============== 7248.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7248.85 LDB: ============= START OF LOAD BALANCING ============== 7249.15 LDB: Largest compute 4821 load 0.024735 is 21.0% of average load 0.118021 LDB: Average compute 0.001713 is 1.5% of average load 0.118021 LDB: TIME 7249.16 LOAD: AVG 0.118021 MAX 0.207325 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.441 MB LDB: TIME 7249.16 LOAD: AVG 0.118021 MAX 0.207325 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.648 MB LDB: TIME 7249.16 LOAD: AVG 0.118021 MAX 0.207325 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7249.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7249.16 PRESSURE: 2432400 47.8105 31.6988 32.0519 31.6983 105.524 -0.695165 32.0524 -0.695385 -28.518 GPRESSURE: 2432400 40.2909 90.4039 6.09309 -55.9377 129.159 0.3089 82.5965 -41.3206 53.7447 PRESSAVG: 2432400 8.07108 6.62787 -32.2539 6.62792 0.903324 24.2535 -32.2539 24.2534 6.72397 GPRESSAVG: 2432400 7.56552 6.09505 -32.3535 7.08564 1.90703 25.3147 -31.4785 24.4929 7.33816 TIMING: 2432400 CPU: 7246.03, 0.00309956/step Wall: 7246.03, 0.00309956/step, 2.21067 hours remaining, 205.429688 MB of memory in use. ENERGY: 2432400 762.7798 2130.3126 1932.4624 111.1106 -206449.4049 18019.7949 0.0000 0.0000 34120.5240 -149372.4205 297.9830 -183492.9445 -149277.6368 298.4813 41.6056 74.3982 557218.9204 5.2328 5.6036 PRESSURE: 2432600 113.791 -2.08899 52.4419 -2.0874 -164.069 56.1449 52.442 56.1451 17.2573 GPRESSURE: 2432600 172.852 44.3851 84.7771 5.37337 -134.804 58.081 101.436 62.4151 8.82698 PRESSAVG: 2432600 -10.7832 26.4103 -0.0504678 26.4104 -21.6844 8.9627 -0.0504769 8.96279 45.7318 GPRESSAVG: 2432600 -10.9599 27.7676 -1.29101 24.2184 -20.9603 9.28412 0.271398 7.70551 45.112 TIMING: 2432600 CPU: 7246.64, 0.00302417/step Wall: 7246.64, 0.00302417/step, 2.15673 hours remaining, 205.429688 MB of memory in use. ENERGY: 2432600 766.7992 2114.7239 1938.6596 109.2859 -206517.0633 17935.6966 0.0000 0.0000 34350.8123 -149301.0857 299.9942 -183651.8980 -149201.3316 298.9274 -11.0068 15.6249 558084.6726 4.4214 4.3973 PRESSURE: 2432800 67.7582 -93.9196 72.027 -93.9207 35.3351 -78.2201 72.0268 -78.2191 127.41 GPRESSURE: 2432800 67.5483 -89.8761 25.7583 -23.3279 113.261 -36.2641 95.6099 -76.2317 145.592 PRESSAVG: 2432800 -3.71864 30.394 0.72496 30.394 23.7064 -36.8377 0.724848 -36.8376 -30.3902 GPRESSAVG: 2432800 -4.20458 30.5896 1.74059 31.7742 23.0863 -37.1392 -2.66327 -35.9816 -29.3345 TIMING: 2432800 CPU: 7247.24, 0.00300675/step Wall: 7247.24, 0.00300675/step, 2.14415 hours remaining, 205.429688 MB of memory in use. ENERGY: 2432800 764.7707 2132.1060 1937.7511 102.4233 -206779.8787 18154.4270 0.0000 0.0000 34159.2619 -149529.1386 298.3213 -183688.4005 -149435.4605 298.2809 76.8345 108.8005 556550.2644 -3.4675 -3.4842 PRESSURE: 2433000 -258.518 -233.243 35.3171 -233.241 44.8692 -127.555 35.3172 -127.556 88.3015 GPRESSURE: 2433000 -213.656 -235.707 84.1753 -245.267 68.6456 -120.84 19.3132 -115.094 117.53 PRESSAVG: 2433000 1.67697 -3.05595 -28.8284 -3.05604 17.2325 -15.7878 -28.8284 -15.7878 -11.468 GPRESSAVG: 2433000 4.07762 -4.39922 -28.3587 -2.60852 16.6476 -15.1897 -27.634 -14.8468 -13.1845 TIMING: 2433000 CPU: 7247.84, 0.00298722/step Wall: 7247.84, 0.00298722/step, 2.13005 hours remaining, 205.429688 MB of memory in use. ENERGY: 2433000 730.6094 2030.8261 1994.4391 115.9700 -206619.7208 17972.3396 0.0000 0.0000 34081.9382 -149693.5985 297.6460 -183775.5367 -149601.5995 298.5119 -41.7823 -9.1602 558783.5954 2.4805 2.5136 PRESSURE: 2433200 -446.598 -207.006 -87.1421 -207.008 -300.985 0.968181 -87.1429 0.968709 -398.902 GPRESSURE: 2433200 -383.806 -176.756 -103.531 -132.112 -308.444 -52.5962 -139.91 49.6393 -355.139 PRESSAVG: 2433200 -11.9701 -43.6963 29.2156 -43.6963 11.8796 -39.4475 29.2157 -39.4475 -20.5057 GPRESSAVG: 2433200 -14.6467 -43.9848 26.866 -44.4496 12.9918 -37.1863 31.0506 -41.2859 -18.5902 TIMING: 2433200 CPU: 7248.43, 0.0029876/step Wall: 7248.43, 0.0029876/step, 2.13016 hours remaining, 205.429688 MB of memory in use. ENERGY: 2433200 807.1274 2076.3460 1937.7857 99.9403 -206469.5268 17784.9714 0.0000 0.0000 34099.3966 -149663.9594 297.7985 -183763.3560 -149570.3963 297.9377 -382.1619 -349.1297 559853.8965 -6.8654 -6.7484 PRESSURE: 2433400 339.053 -193.665 -2.96721 -193.667 -184.398 98.8514 -2.96674 98.851 -128.654 GPRESSURE: 2433400 236.908 -143.359 45.5767 -237.687 -140.945 -12.3264 -66.3798 30.1482 27.9663 PRESSAVG: 2433400 -6.77304 29.8647 9.23608 29.8646 -50.5214 -15.9322 9.23617 -15.9322 19.7569 GPRESSAVG: 2433400 -6.47384 30.0031 10.6809 28.275 -51.5117 -18.1627 7.93392 -14.741 19.6655 TIMING: 2433400 CPU: 7249.03, 0.00298633/step Wall: 7249.03, 0.00298633/step, 2.12909 hours remaining, 205.429688 MB of memory in use. ENERGY: 2433400 740.0766 2110.8908 1951.4564 103.6085 -206452.1437 17746.5234 0.0000 0.0000 34225.5651 -149574.0230 298.9004 -183799.5880 -149475.7840 297.8964 8.6673 41.3098 557989.7839 -12.5125 -12.7733 PRESSURE: 2433600 318.923 -48.2453 163.356 -48.2455 -279.445 -33.7471 163.355 -33.7468 299.339 GPRESSURE: 2433600 339.202 -116.408 210.657 -58.8437 -205.33 -79.9755 101.727 -24.2912 301.342 PRESSAVG: 2433600 10.7258 19.0759 -2.88651 19.0759 -68.0909 -38.0788 -2.88651 -38.0788 15.5023 GPRESSAVG: 2433600 11.1867 19.8189 -1.60484 22.5709 -67.7718 -38.1158 -2.33928 -37.8782 14.4322 TIMING: 2433600 CPU: 7249.63, 0.00300839/step Wall: 7249.63, 0.00300839/step, 2.14465 hours remaining, 205.429688 MB of memory in use. ENERGY: 2433600 737.6735 2079.6726 1957.3468 100.7984 -206396.7536 17970.2154 0.0000 0.0000 34065.0468 -149486.0001 297.4985 -183551.0469 -149396.1882 298.4686 112.9391 145.0711 557427.7408 -13.9543 -14.0510 PRESSURE: 2433800 154.379 75.9962 -30.6985 75.9962 -245.278 -100.411 -30.6982 -100.412 -32.9148 GPRESSURE: 2433800 147.08 20.8562 -29.3746 162.207 -241.944 -173.258 6.10365 -110.473 62.1096 PRESSAVG: 2433800 25.8797 23.4028 19.6823 23.4027 -9.48825 24.7025 19.6823 24.7023 -19.7047 GPRESSAVG: 2433800 26.1409 22.0014 17.6139 21.9035 -10.3363 23.0281 19.3022 25.2286 -18.7926 TIMING: 2433800 CPU: 7250.24, 0.00300889/step Wall: 7250.24, 0.00300889/step, 2.14484 hours remaining, 205.429688 MB of memory in use. ENERGY: 2433800 742.2313 2092.7152 1954.9261 111.1582 -206401.2767 17989.9175 0.0000 0.0000 34169.8739 -149340.4545 298.4140 -183510.3284 -149248.9511 298.8748 -41.2714 -10.9181 558252.5272 -1.1044 -0.9960 PRESSURE: 2434000 94.665 15.4799 -116.92 15.4791 -67.8309 202.349 -116.92 202.348 -219.563 GPRESSURE: 2434000 133.44 29.9229 -90.5912 -39.5985 -20.9432 291.313 -124.487 139.823 -210.774 PRESSAVG: 2434000 37.4405 39.3056 11.2911 39.3056 14.0124 15.7347 11.2911 15.7347 -65.0587 GPRESSAVG: 2434000 37.4934 39.5964 10.4853 39.8788 14.6081 17.5073 13.0734 15.5817 -65.6634 TIMING: 2434000 CPU: 7250.84, 0.00300707/step Wall: 7250.84, 0.00300707/step, 2.14338 hours remaining, 205.429688 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: 2434000 770.8496 2031.4104 1947.7881 119.3874 -206602.1901 17896.2835 0.0000 0.0000 34271.9345 -149564.5367 299.3053 -183836.4712 -149470.6392 298.3475 -64.2430 -32.7589 557561.8342 -4.5353 -4.5206 PRESSURE: 2434200 -81.4637 84.5766 57.3572 84.5763 212.682 56.6775 57.3579 56.6795 70.564 GPRESSURE: 2434200 -52.9119 92.375 24.1758 101.499 272.569 4.62202 -4.81401 33.536 85.1206 PRESSAVG: 2434200 15.6558 24.6221 2.09371 24.6223 13.5972 67.65 2.09371 67.65 -46.0668 GPRESSAVG: 2434200 17.4551 26.0276 3.4244 24.1817 12.1198 65.8942 0.148089 68.177 -46.1691 TIMING: 2434200 CPU: 7251.43, 0.00297637/step Wall: 7251.43, 0.00297637/step, 2.12132 hours remaining, 205.429688 MB of memory in use. ENERGY: 2434200 738.9198 2047.7856 1923.5179 104.6943 -206601.1725 18005.5710 0.0000 0.0000 34162.6180 -149618.0661 298.3506 -183780.6840 -149517.2448 298.3265 67.2607 101.5926 555603.9684 -5.6046 -5.5314 PRESSURE: 2434400 -28.7703 -184.035 184.375 -184.035 -224.406 121.671 184.375 121.671 -55.3079 GPRESSURE: 2434400 -22.0348 -144.633 160.131 -222.981 -189.49 186.312 186.825 159.895 -11.3082 PRESSAVG: 2434400 -20.2968 17.8462 -22.7886 17.8463 29.6343 8.9014 -22.7887 8.90136 -49.4627 GPRESSAVG: 2434400 -21.5776 17.6174 -22.544 17.9453 31.1116 11.5883 -22.3951 8.89198 -49.0543 TIMING: 2434400 CPU: 7252.03, 0.00297333/step Wall: 7252.03, 0.00297333/step, 2.11899 hours remaining, 205.429688 MB of memory in use. ENERGY: 2434400 734.6146 2103.9238 1947.5528 104.1247 -206038.8540 17536.4594 0.0000 0.0000 34047.3388 -149564.8398 297.3439 -183612.1786 -149465.4726 298.5993 -102.8280 -74.2777 558961.6599 -13.3751 -13.1734 PRESSURE: 2434600 -38.7552 143.315 66.497 143.315 98.0099 -42.4736 66.4982 -42.4729 58.4056 GPRESSURE: 2434600 -58.1567 99.6083 17.7089 84.4546 157.295 -31.5522 98.3215 24.0735 120.646 PRESSAVG: 2434600 81.8045 44.4609 7.57447 44.4608 -31.3747 6.6715 7.57446 6.67138 -46.3013 GPRESSAVG: 2434600 83.0737 44.2208 4.40703 44.2157 -32.2081 7.35972 8.71686 7.14914 -46.1119 TIMING: 2434600 CPU: 7252.63, 0.00300613/step Wall: 7252.63, 0.00300613/step, 2.1422 hours remaining, 205.429688 MB of memory in use. ENERGY: 2434600 756.9568 2080.4593 1906.5125 97.6670 -206475.5475 18097.9044 0.0000 0.0000 34275.1529 -149260.8945 299.3334 -183536.0474 -149164.8466 298.5588 39.2201 73.2617 558552.1713 1.3762 1.5846 PRESSURE: 2434800 226.714 -19.6942 12.5432 -19.6939 181.685 -27.5829 12.5437 -27.5813 -198.808 GPRESSURE: 2434800 294.215 -99.7007 -50.4124 18.2512 135.592 -14.8066 30.2343 -41.6531 -129.848 PRESSAVG: 2434800 63.2488 31.4776 64.4583 31.4776 24.1148 20.2951 64.4584 20.2951 -48.6333 GPRESSAVG: 2434800 62.8955 32.643 65.7392 29.2705 24.2735 18.8374 64.3675 17.7629 -48.6209 TIMING: 2434800 CPU: 7253.23, 0.00300531/step Wall: 7253.23, 0.00300531/step, 2.14145 hours remaining, 205.429688 MB of memory in use. ENERGY: 2434800 756.4225 2055.1053 1938.0978 118.1321 -206044.4456 17754.5327 0.0000 0.0000 34163.0259 -149259.1292 298.3542 -183422.1551 -149160.7980 299.2925 69.8637 99.9865 557212.7933 12.9101 12.8494 PRESSURE: 2435000 124.784 -17.8027 -56.3838 -17.801 -24.927 -38.676 -56.3841 -38.6768 85.0713 GPRESSURE: 2435000 90.4999 -151.796 1.44593 -18.7384 112.568 -60.6021 -69.454 22.2656 69.3319 PRESSAVG: 2435000 -28.7624 -47.8745 -10.0836 -47.8745 33.5302 -8.19879 -10.0837 -8.19874 -27.7561 GPRESSAVG: 2435000 -28.4024 -50.3864 -10.3651 -46.3961 33.8514 -9.94893 -10.399 -6.97897 -27.8322 TIMING: 2435000 CPU: 7253.83, 0.00299368/step Wall: 7253.83, 0.00299368/step, 2.133 hours remaining, 205.429688 MB of memory in use. ENERGY: 2435000 695.8057 2084.5392 1930.7498 114.3066 -206504.6437 17991.1356 0.0000 0.0000 34251.1747 -149436.9321 299.1240 -183688.1068 -149340.9116 299.0005 61.6428 90.7998 558047.0106 -7.6628 -7.4611 PRESSURE: 2435200 -370.341 25.1748 -90.7501 25.175 -499.442 -24.6283 -90.7503 -24.6273 -184.261 GPRESSURE: 2435200 -302.828 69.732 -88.9127 -38.8056 -466.203 -2.95303 -76.7039 -53.9839 -191.97 PRESSAVG: 2435200 39.2762 6.69286 -4.08808 6.69284 -2.26031 12.0597 -4.08795 12.0597 -15.0195 GPRESSAVG: 2435200 38.1695 8.20102 -4.17283 7.12119 -1.81591 13.9533 -4.35088 12.2652 -14.771 TIMING: 2435200 CPU: 7254.43, 0.0029959/step Wall: 7254.43, 0.0029959/step, 2.13441 hours remaining, 205.429688 MB of memory in use. ENERGY: 2435200 741.3592 2152.2007 1943.4794 111.6001 -206111.2873 17363.0758 0.0000 0.0000 34092.9869 -149706.5852 297.7425 -183799.5721 -149618.9605 298.9166 -351.3481 -320.3338 555968.5493 7.3321 7.1942 PRESSURE: 2435400 -321.384 -58.6967 51.7806 -58.697 -95.3989 -85.0623 51.779 -85.0633 -244.515 GPRESSURE: 2435400 -305.371 -42.9999 -51.7018 -91.2349 -79.6146 -88.735 92.1032 -19.9917 -170.872 PRESSAVG: 2435400 -21.4144 -8.55811 16.5264 -8.55823 -22.5755 39.5258 16.5263 39.5259 -8.97721 GPRESSAVG: 2435400 -20.3455 -9.33433 16.2509 -8.1319 -23.6797 40.3233 18.9441 37.2039 -9.04575 TIMING: 2435400 CPU: 7255.03, 0.00302514/step Wall: 7255.03, 0.00302514/step, 2.15508 hours remaining, 205.429688 MB of memory in use. ENERGY: 2435400 722.8577 2076.7625 1927.8494 104.6423 -206280.2799 17624.7499 0.0000 0.0000 34209.9425 -149613.4756 298.7639 -183823.4181 -149516.9893 298.4739 -220.4327 -185.2856 556929.6297 -17.6557 -17.6903 PRESSURE: 2435600 -86.9827 -177.998 131.264 -177.998 80.6217 -122.289 131.264 -122.287 -89.952 GPRESSURE: 2435600 -38.8752 -273.49 93.7904 -92.002 135.01 -150.21 169.577 -114.341 -89.5126 PRESSAVG: 2435600 -8.55301 8.6726 28.2459 8.67266 45.6575 4.32414 28.246 4.32413 -16.494 GPRESSAVG: 2435600 -8.18147 11.5466 27.393 8.91493 44.9904 3.95691 27.2488 5.04193 -15.8505 TIMING: 2435600 CPU: 7255.64, 0.00303311/step Wall: 7255.64, 0.00303311/step, 2.16058 hours remaining, 205.429688 MB of memory in use. ENERGY: 2435600 746.5684 2065.4696 1955.5162 123.9595 -206460.6651 17879.6138 0.0000 0.0000 33914.0769 -149775.4607 296.1801 -183689.5376 -149665.5875 297.6520 -32.1043 2.2075 557220.3041 6.8701 6.9862 PRESSURE: 2435800 208.991 -47.9381 -41.6172 -47.9363 196.872 -50.2212 -41.6162 -50.2207 -49.6139 GPRESSURE: 2435800 259.926 -43.7755 28.4342 -20.958 165.202 19.1852 -11.9464 -19.7475 22.7742 PRESSAVG: 2435800 32.7964 -57.1085 -5.81159 -57.1085 -53.0518 32.4933 -5.81151 32.4933 39.3026 GPRESSAVG: 2435800 33.5971 -59.8922 -3.11721 -56.5709 -53.4268 32.3288 -7.74633 34.2603 39.6563 TIMING: 2435800 CPU: 7256.24, 0.00301689/step Wall: 7256.24, 0.00301689/step, 2.14886 hours remaining, 205.429688 MB of memory in use. ENERGY: 2435800 735.8068 2031.7672 1925.4392 103.4708 -206912.5622 18161.1532 0.0000 0.0000 34057.6410 -149897.2841 297.4338 -183954.9251 -149797.9440 296.6498 118.7497 149.3006 557884.4410 6.3491 6.6089 PRESSURE: 2436000 5.90699 -7.54579 27.8398 -7.54564 96.1886 -241.551 27.8379 -241.554 -63.7782 GPRESSURE: 2436000 93.2849 9.35688 22.5986 -54.8578 98.6267 -252.098 60.7808 -248.173 -56.8319 PRESSAVG: 2436000 48.3556 -56.4776 -23.0934 -56.4776 -27.4515 -5.75158 -23.0935 -5.75165 -3.98161 GPRESSAVG: 2436000 48.1302 -55.5587 -24.6681 -56.9236 -26.1183 -5.32506 -22.4903 -8.0131 -5.23283 TIMING: 2436000 CPU: 7256.85, 0.00303521/step Wall: 7256.85, 0.00303521/step, 2.16175 hours remaining, 205.429688 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: 2436000 733.7226 2037.3252 1960.7206 109.9666 -206516.7530 17887.3767 0.0000 0.0000 33881.8079 -149905.8334 295.8983 -183787.6413 -149809.2808 297.0655 12.7725 45.0265 558214.8690 5.6409 5.5930 PRESSURE: 2436200 175.143 -2.28375 24.428 -2.2842 170.599 90.4856 24.4282 90.4867 200.38 GPRESSURE: 2436200 134.65 -52.9449 30.7063 -39.1513 247.009 80.7525 -0.029368 18.9346 262.881 PRESSAVG: 2436200 6.13792 -4.10377 54.3266 -4.1038 17.4052 -19.0347 54.3266 -19.0349 20.4584 GPRESSAVG: 2436200 5.15191 -6.56664 53.3715 -4.37998 17.4809 -21.1403 56.3316 -17.4534 21.1618 TIMING: 2436200 CPU: 7257.45, 0.00299867/step Wall: 7257.45, 0.00299867/step, 2.13555 hours remaining, 205.429688 MB of memory in use. ENERGY: 2436200 717.3099 1996.7075 1959.2983 135.0062 -206703.6980 18215.3273 0.0000 0.0000 33904.1375 -149775.9112 296.0933 -183680.0487 -149680.6333 297.1503 182.0408 214.8463 557824.9360 14.6672 14.5982 LDB: ============= START OF LOAD BALANCING ============== 7260.88 LDB: ============== END OF LOAD BALANCING =============== 7260.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7260.88 LDB: ============= START OF LOAD BALANCING ============== 7261.18 LDB: Largest compute 4821 load 0.023590 is 20.0% of average load 0.118080 LDB: Average compute 0.001716 is 1.5% of average load 0.118080 LDB: TIME 7261.19 LOAD: AVG 0.11808 MAX 0.204645 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 7261.19 LOAD: AVG 0.11808 MAX 0.204645 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: TIME 7261.19 LOAD: AVG 0.11808 MAX 0.204645 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7261.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7261.19 PRESSURE: 2436400 -194.283 -102.317 -1.26454 -102.318 9.94409 -100.848 -1.26294 -100.847 61.9092 GPRESSURE: 2436400 -116.659 -89.7667 77.3355 -86.5754 31.6385 -24.3547 -62.1116 -84.7875 44.7176 PRESSAVG: 2436400 -76.1021 27.2996 34.3017 27.2994 21.9817 -16.7292 34.3018 -16.7292 22.0451 GPRESSAVG: 2436400 -75.7483 29.412 36.7521 27.7747 20.9756 -16.3674 30.5708 -14.9186 22.3548 TIMING: 2436400 CPU: 7258.06, 0.00306966/step Wall: 7258.06, 0.00306966/step, 2.18594 hours remaining, 207.738281 MB of memory in use. ENERGY: 2436400 750.1508 2108.9676 1930.1103 114.1150 -206578.6746 17903.6740 0.0000 0.0000 34041.1189 -149730.5379 297.2896 -183771.6569 -149643.3016 297.6539 -40.8098 -13.4343 558258.0876 -10.6917 -10.8060 PRESSURE: 2436600 194.046 148.413 -176.711 148.412 255.282 -6.06821 -176.711 -6.06895 -47.9276 GPRESSURE: 2436600 205.033 97.0534 -91.031 158.718 272.089 0.162381 -66.8781 -35.5342 17.6193 PRESSAVG: 2436600 -9.14241 32.0856 -38.1004 32.0856 27.4521 22.3268 -38.1003 22.3268 -12.8654 GPRESSAVG: 2436600 -9.93602 31.9 -38.9649 32.1402 27.9102 23.1887 -36.27 19.9227 -12.9597 TIMING: 2436600 CPU: 7258.66, 0.0030043/step Wall: 7258.66, 0.0030043/step, 2.13923 hours remaining, 207.808594 MB of memory in use. ENERGY: 2436600 738.8572 2126.8707 1919.5429 101.6020 -206422.5166 17848.0707 0.0000 0.0000 33992.9226 -149694.6504 296.8686 -183687.5731 -149609.2763 296.9063 133.8002 164.9139 556012.6649 1.8147 1.6715 PRESSURE: 2436800 -278.072 74.8871 -79.6805 74.887 -214.071 242.256 -79.6815 242.256 75.1389 GPRESSURE: 2436800 -298.386 33.2192 -53.6469 37.3463 -183.466 228.882 -85.2044 216.442 163.667 PRESSAVG: 2436800 -22.9321 25.6091 -30.2448 25.6092 15.6864 42.4929 -30.2449 42.4929 -10.4036 GPRESSAVG: 2436800 -23.2439 26.6351 -30.864 23.7413 17.4181 43.7042 -29.583 45.0372 -11.6212 TIMING: 2436800 CPU: 7259.26, 0.0030057/step Wall: 7259.26, 0.0030057/step, 2.14006 hours remaining, 207.808594 MB of memory in use. ENERGY: 2436800 745.2941 2097.4863 1964.4811 111.1514 -206519.4138 17657.5300 0.0000 0.0000 34133.3049 -149810.1659 298.0946 -183943.4708 -149715.4115 297.1719 -139.0015 -106.0619 557023.9203 -5.8831 -5.8157 PRESSURE: 2437000 130.048 -13.518 -31.1627 -13.5168 -2.02755 10.8825 -31.1626 10.8823 39.1197 GPRESSURE: 2437000 183.26 21.4533 -57.851 -26.4845 -2.06054 -70.8135 -112.764 16.4196 80.4035 PRESSAVG: 2437000 36.3862 -29.9336 -58.0601 -29.9337 -10.8358 57.3735 -58.06 57.3735 -23.6436 GPRESSAVG: 2437000 36.6234 -30.4608 -57.7372 -28.8987 -12.7811 56.12 -58.8976 55.6833 -22.5604 TIMING: 2437000 CPU: 7259.87, 0.0030039/step Wall: 7259.87, 0.0030039/step, 2.13861 hours remaining, 207.808594 MB of memory in use. ENERGY: 2437000 750.4695 2035.9289 1954.1344 109.6161 -206603.5989 17926.1654 0.0000 0.0000 34246.0361 -149581.2486 299.0792 -183827.2847 -149485.5867 298.1013 55.7135 87.2009 555714.3689 0.6356 0.4273 PRESSURE: 2437200 30.6211 -51.9787 124.352 -51.98 157.549 -104.906 124.353 -104.907 404.642 GPRESSURE: 2437200 60.6176 -103.643 195.519 11.6248 202.497 -78.3674 92.6708 -141.58 420.829 PRESSAVG: 2437200 -36.7706 1.23411 -24.726 1.2341 -0.80306 4.07838 -24.7261 4.07848 38.7744 GPRESSAVG: 2437200 -36.8077 0.368537 -24.1513 2.31161 -0.442474 5.98505 -26.2971 5.71713 38.1064 TIMING: 2437200 CPU: 7260.47, 0.00301675/step Wall: 7260.47, 0.00301675/step, 2.14759 hours remaining, 207.808594 MB of memory in use. ENERGY: 2437200 715.7556 2033.4121 1957.8050 124.4565 -206647.0965 18133.7991 0.0000 0.0000 34173.7830 -149508.0853 298.4481 -183681.8683 -149407.5798 297.7100 197.6041 227.9813 555809.9663 0.4002 0.2854 PRESSURE: 2437400 26.592 13.3344 -134.179 13.3337 54.5662 -52.5114 -134.178 -52.5143 -272.048 GPRESSURE: 2437400 12.1594 32.7699 -77.5364 -48.6639 141.26 -46.7694 -138.618 -102.366 -237.973 PRESSAVG: 2437400 -31.6021 4.34135 -36.1431 4.34133 64.9823 -29.842 -36.1431 -29.8419 6.26564 GPRESSAVG: 2437400 -31.4514 4.58079 -34.574 5.65145 64.6308 -31.3367 -35.8389 -31.5044 6.08518 TIMING: 2437400 CPU: 7261.07, 0.0030055/step Wall: 7261.07, 0.0030055/step, 2.13941 hours remaining, 207.808594 MB of memory in use. ENERGY: 2437400 766.3903 2059.6722 1894.5314 134.6398 -206455.0769 17828.0203 0.0000 0.0000 34136.0289 -149635.7940 298.1184 -183771.8229 -149544.3661 298.3003 -63.6299 -28.1845 557619.4582 13.2153 13.0882 PRESSURE: 2437600 -91.5948 -220.353 -42.3598 -220.353 23.8689 -53.4882 -42.3593 -53.4875 -199.475 GPRESSURE: 2437600 -51.9903 -211.519 -73.2001 -219.063 85.8815 -11.1682 16.3788 -48.5255 -210.467 PRESSAVG: 2437600 -11.4427 -52.226 -34.9028 -52.226 51.0155 13.0593 -34.9028 13.0594 13.5165 GPRESSAVG: 2437600 -12.0213 -51.6379 -37.4044 -55.5699 50.6958 13.8702 -31.8647 13.4339 14.3439 TIMING: 2437600 CPU: 7261.67, 0.0029893/step Wall: 7261.67, 0.0029893/step, 2.12772 hours remaining, 207.808594 MB of memory in use. ENERGY: 2437600 741.0549 2119.4403 1946.1097 131.9693 -206577.7362 17859.3470 0.0000 0.0000 34270.2896 -149509.5254 299.2910 -183779.8150 -149410.5872 298.3790 -89.0669 -58.8586 557089.9779 17.6964 17.6728 PRESSURE: 2437800 77.2467 -60.5886 -93.2212 -60.5898 -11.8749 -105.81 -93.221 -105.811 51.8843 GPRESSURE: 2437800 73.837 -99.2414 -209.016 -20.1684 61.6185 35.9123 -131.207 -136.554 89.1134 PRESSAVG: 2437800 19.2125 0.750584 16.7253 0.750499 40.6936 57.6852 16.7253 57.6851 -72.2127 GPRESSAVG: 2437800 19.2711 1.25057 17.4466 1.08471 40.9227 57.8564 15.4875 57.8183 -72.2208 TIMING: 2437800 CPU: 7262.26, 0.00297751/step Wall: 7262.26, 0.00297751/step, 2.11916 hours remaining, 207.808594 MB of memory in use. ENERGY: 2437800 759.9687 2099.3155 1947.8274 96.1358 -206316.6327 17944.1180 0.0000 0.0000 34003.9206 -149465.3467 296.9647 -183469.2673 -149370.9028 298.5942 39.0854 74.8563 556902.4823 -4.1022 -4.0090 PRESSURE: 2438000 187.918 41.0649 -1.18451 41.0654 41.3618 47.0448 -1.18457 47.0436 173.123 GPRESSURE: 2438000 177.395 65.756 -9.31973 59.8154 94.6772 126.27 -4.79975 29.9936 231.859 PRESSAVG: 2438000 48.3413 16.6034 -48.053 16.6034 -43.653 44.2621 -48.053 44.2621 17.7688 GPRESSAVG: 2438000 47.6708 14.4013 -47.1426 15.6286 -42.7077 43.9842 -47.98 45.3263 17.359 TIMING: 2438000 CPU: 7262.86, 0.00299698/step Wall: 7262.86, 0.00299698/step, 2.13285 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: 2438000 748.5430 2077.8133 1951.7994 108.9457 -206646.2823 18055.3288 0.0000 0.0000 34334.5272 -149369.3248 299.8520 -183703.8521 -149270.2522 298.4915 134.1341 167.9772 555786.7060 7.4857 7.4407 PRESSURE: 2438200 120.396 -60.0098 -124.17 -60.0095 142.579 15.5429 -124.171 15.5426 -368.475 GPRESSURE: 2438200 199.861 -36.3975 -210.6 -4.22986 125.444 -79.9971 -20.4063 102.193 -333.794 PRESSAVG: 2438200 55.6252 -5.491 22.8102 -5.49094 7.01576 15.7743 22.8102 15.7744 -26.9275 GPRESSAVG: 2438200 56.6981 -4.17004 21.7702 -2.26166 6.50993 16.661 21.9358 14.7365 -27.8085 TIMING: 2438200 CPU: 7263.46, 0.00298136/step Wall: 7263.46, 0.00298136/step, 2.12157 hours remaining, 207.808594 MB of memory in use. ENERGY: 2438200 754.1298 2152.1852 1980.5201 109.0641 -206104.2987 17649.7893 0.0000 0.0000 34144.1494 -149314.4607 298.1893 -183458.6101 -149219.0214 299.1145 -35.1669 -2.8297 557064.3927 11.9045 11.7998 PRESSURE: 2438400 89.3932 37.9895 -23.3862 37.9896 124.327 159.861 -23.3871 159.861 366.384 GPRESSURE: 2438400 169.602 44.8804 30.841 24.5234 154.527 249.837 -47.0567 133.438 356.154 PRESSAVG: 2438400 21.8839 -0.515956 17.3152 -0.515808 32.1567 -2.66265 17.3152 -2.66281 -71.4584 GPRESSAVG: 2438400 21.9352 -0.0861087 21.0063 -0.502579 31.3681 -3.95039 15.9121 -3.23991 -70.3018 TIMING: 2438400 CPU: 7264.06, 0.00298908/step Wall: 7264.06, 0.00298908/step, 2.1269 hours remaining, 207.808594 MB of memory in use. ENERGY: 2438400 708.6896 2103.0148 1933.3926 105.7202 -206472.6806 18088.5905 0.0000 0.0000 34263.4339 -149269.8390 299.2311 -183533.2729 -149175.1002 298.8180 193.3682 226.7610 556172.6654 -5.8060 -5.6662 PRESSURE: 2438600 -37.6409 -44.3265 -26.6908 -44.3266 120.368 -39.0845 -26.6918 -39.085 -69.6997 GPRESSURE: 2438600 8.51064 -44.9538 -55.2006 -15.1234 97.132 -18.5634 17.5911 -89.1669 -11.8782 PRESSAVG: 2438600 -30.0392 -23.8459 -54.5415 -23.8459 51.0009 -29.1595 -54.5414 -29.1595 -39.3 GPRESSAVG: 2438600 -29.9612 -24.8362 -56.0513 -22.642 50.3412 -28.7143 -52.5698 -30.1299 -38.9708 TIMING: 2438600 CPU: 7264.66, 0.00299492/step Wall: 7264.66, 0.00299492/step, 2.13088 hours remaining, 207.808594 MB of memory in use. ENERGY: 2438600 755.8100 2113.9631 1951.2755 131.8979 -206161.6546 17772.1494 0.0000 0.0000 34260.4715 -149176.0872 299.2052 -183436.5587 -149085.0163 298.7742 4.3425 31.2548 557531.0997 -6.1128 -6.1969 PRESSURE: 2438800 81.275 -8.85283 27.4441 -8.85463 176.641 -172.555 27.4436 -172.555 179.29 GPRESSURE: 2438800 121.285 -6.45219 24.5992 15.7316 226.599 -138.409 48.1769 -86.4479 174.473 PRESSAVG: 2438800 24.1481 -84.185 -60.4121 -84.185 4.25299 -54.9264 -60.4121 -54.9264 -14.354 GPRESSAVG: 2438800 23.2661 -83.0887 -60.3196 -84.8819 4.53828 -54.8749 -61.4491 -52.0869 -14.085 TIMING: 2438800 CPU: 7265.25, 0.00299054/step Wall: 7265.25, 0.00299054/step, 2.1276 hours remaining, 207.808594 MB of memory in use. ENERGY: 2438800 802.6165 2074.2783 1993.2405 115.3285 -206660.1604 18002.1432 0.0000 0.0000 34464.6022 -149207.9513 300.9879 -183672.5534 -149110.1797 300.0636 145.7355 174.1192 555161.4714 4.6824 4.5731 PRESSURE: 2439000 -340.627 73.1853 -94.2058 73.1861 191.263 -310.925 -94.2057 -310.923 -163.892 GPRESSURE: 2439000 -294.892 0.148679 -49.0995 67.5882 152.315 -273.054 -163.465 -256.941 -77.9254 PRESSAVG: 2439000 -29.9463 -4.26654 16.6483 -4.26659 -26.9697 -60.4419 16.6482 -60.4419 4.04598 GPRESSAVG: 2439000 -29.6107 -5.18331 15.3082 -3.90754 -27.6304 -59.3364 17.1375 -62.3144 4.76935 TIMING: 2439000 CPU: 7265.85, 0.00300153/step Wall: 7265.85, 0.00300153/step, 2.13526 hours remaining, 207.808594 MB of memory in use. ENERGY: 2439000 751.9151 2069.6569 1968.0093 123.8814 -205721.5105 17616.6373 0.0000 0.0000 33940.9793 -149250.4312 296.4150 -183191.4106 -149150.1873 299.3154 -104.4189 -73.5007 558570.1656 -17.6233 -17.4906 PRESSURE: 2439200 -351.657 2.93404 55.5289 2.93382 -46.3797 50.6812 55.5289 50.682 -92.3124 GPRESSURE: 2439200 -293.921 54.0374 58.6387 -30.1406 -33.9174 19.6657 9.02067 31.8789 -68.6679 PRESSAVG: 2439200 -17.4969 -10.8842 -33.0321 -10.8842 46.1158 -41.4297 -33.0321 -41.4295 -22.1104 GPRESSAVG: 2439200 -17.037 -11.1029 -33.712 -11.2256 46.4131 -43.1943 -33.0803 -42.4327 -22.9563 TIMING: 2439200 CPU: 7266.46, 0.00302896/step Wall: 7266.46, 0.00302896/step, 2.1546 hours remaining, 207.808594 MB of memory in use. ENERGY: 2439200 769.6052 2071.2915 1935.2989 120.0091 -206084.3047 17700.6539 0.0000 0.0000 34072.1361 -149415.3100 297.5604 -183487.4461 -149323.6483 298.5489 -163.4498 -132.1686 558246.3417 2.1695 2.1400 PRESSURE: 2439400 -39.0709 25.8251 -56.9269 25.8252 15.3939 3.10663 -56.926 3.10759 13.6601 GPRESSURE: 2439400 -29.3224 25.5272 -1.7012 12.7698 20.2012 -72.1776 -34.6964 21.3553 88.912 PRESSAVG: 2439400 -11.4882 -30.2991 9.23873 -30.2991 21.3394 0.671506 9.23876 0.671586 24.0075 GPRESSAVG: 2439400 -13.089 -28.9076 11.9271 -31.5391 22.0249 1.44801 9.89706 1.11291 24.6882 TIMING: 2439400 CPU: 7267.07, 0.00302687/step Wall: 7267.07, 0.00302687/step, 2.15295 hours remaining, 207.808594 MB of memory in use. ENERGY: 2439400 730.0760 2089.6869 1943.0296 113.4439 -206211.2013 17809.3155 0.0000 0.0000 34265.6953 -149259.9541 299.2508 -183525.6495 -149159.1367 299.2562 -3.3390 26.5969 558465.9128 11.2862 11.2080 PRESSURE: 2439600 -123.689 -160.647 82.4453 -160.646 -41.0234 47.9652 82.4449 47.9644 -251.678 GPRESSURE: 2439600 -123.676 -157.912 72.6734 -165.324 -23.6283 45.2735 18.935 -9.13363 -180.494 PRESSAVG: 2439600 56.1581 -2.12145 19.2485 -2.12135 -26.5556 27.8562 19.2486 27.8562 -45.9693 GPRESSAVG: 2439600 56.3608 -2.63536 18.9467 -0.481093 -26.7493 27.0395 17.5713 29.6787 -46.0044 TIMING: 2439600 CPU: 7267.67, 0.00302328/step Wall: 7267.67, 0.00302328/step, 2.15022 hours remaining, 207.808594 MB of memory in use. ENERGY: 2439600 719.6121 2163.3760 1946.2562 120.0870 -206114.9595 17524.5072 0.0000 0.0000 34300.9735 -149340.1475 299.5589 -183641.1211 -149242.7217 298.7881 -138.7969 -109.2658 557041.3248 -5.4556 -5.4643 PRESSURE: 2439800 13.5018 -61.0869 21.5726 -61.0872 290.99 165.927 21.5729 165.928 11.3131 GPRESSURE: 2439800 27.5427 -35.9281 6.85568 -5.98778 306.836 146.09 47.4132 144.635 84.4759 PRESSAVG: 2439800 -41.7078 -14.8518 41.1813 -14.8517 44.8395 59.7801 41.1812 59.7801 -6.03253 GPRESSAVG: 2439800 -41.1221 -15.2766 40.3707 -16.3904 46.3412 60.0731 42.8266 59.6467 -8.32729 TIMING: 2439800 CPU: 7268.28, 0.00302922/step Wall: 7268.28, 0.00302922/step, 2.15428 hours remaining, 207.808594 MB of memory in use. ENERGY: 2439800 745.9142 2067.0880 1933.6703 114.9592 -206484.2307 18128.2429 0.0000 0.0000 34356.6376 -149137.7186 300.0451 -183494.3561 -149045.8722 299.6685 105.2682 139.6182 558649.3254 -0.9669 -1.0361 PRESSURE: 2440000 -272.096 -6.1734 -115.412 -6.17323 92.0286 108.958 -115.412 108.958 -193.562 GPRESSURE: 2440000 -239.688 -78.7554 -64.9768 -11.3419 115.01 97.7306 -198.051 138.082 -150.789 PRESSAVG: 2440000 -25.69 -24.8246 -1.11735 -24.8246 53.3105 57.3472 -1.11738 57.3473 -46.598 GPRESSAVG: 2440000 -25.4383 -25.841 -2.29688 -24.045 51.5631 57.8673 -1.15199 56.6905 -45.5987 TIMING: 2440000 CPU: 7268.87, 0.00298733/step Wall: 7268.87, 0.00298733/step, 2.12432 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: 2440000 763.2386 2080.1221 1933.1692 111.2581 -206202.4617 17758.9005 0.0000 0.0000 34294.0018 -149261.7712 299.4980 -183555.7731 -149168.7591 298.8651 -124.5433 -91.8220 559339.7369 -6.3258 -6.4913 PRESSURE: 2440200 -106.205 233.864 -52.2545 233.864 295.166 -183.967 -52.2541 -183.968 -61.4879 GPRESSURE: 2440200 -45.7146 222.534 -25.9481 181.452 263.179 -151.025 -83.4176 -116.233 16.3013 PRESSAVG: 2440200 -91.0786 55.2196 44.3851 55.2195 54.0444 -4.10677 44.3852 -4.10682 33.133 GPRESSAVG: 2440200 -90.99 57.2399 45.2747 53.5392 54.7477 -4.72642 42.7662 -2.13738 32.7969 TIMING: 2440200 CPU: 7269.48, 0.0030133/step Wall: 7269.48, 0.0030133/step, 2.14262 hours remaining, 207.808594 MB of memory in use. ENERGY: 2440200 733.1040 2052.9536 1953.1226 96.5877 -206520.0566 18127.8230 0.0000 0.0000 34364.1263 -149192.3394 300.1105 -183556.4658 -149091.9439 299.8663 42.4909 77.9219 557840.8386 -1.3004 -1.1485 LDB: ============= START OF LOAD BALANCING ============== 7272.91 LDB: ============== END OF LOAD BALANCING =============== 7272.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7272.91 LDB: ============= START OF LOAD BALANCING ============== 7273.22 LDB: Largest compute 4849 load 0.023683 is 20.1% of average load 0.118099 LDB: Average compute 0.001720 is 1.5% of average load 0.118099 LDB: TIME 7273.22 LOAD: AVG 0.118099 MAX 0.205175 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.906 MB LDB: TIME 7273.22 LOAD: AVG 0.118099 MAX 0.205175 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: TIME 7273.22 LOAD: AVG 0.118099 MAX 0.205175 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7273.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7273.22 PRESSURE: 2440400 -13.878 -158.192 -151.57 -158.192 -266.927 -14.732 -151.571 -14.7314 -106.129 GPRESSURE: 2440400 -5.88919 -70.597 -202.418 -40.3542 -211.107 -45.7925 -117.595 43.8409 -67.4858 PRESSAVG: 2440400 19.2468 -30.9003 33.5536 -30.9004 26.8943 -59.4452 33.5535 -59.4451 -73.3669 GPRESSAVG: 2440400 19.1003 -30.9978 34.6859 -27.9075 26.619 -57.5629 34.6399 -61.9915 -73.6052 TIMING: 2440400 CPU: 7270.1, 0.00309608/step Wall: 7270.1, 0.00309608/step, 2.20131 hours remaining, 206.257812 MB of memory in use. ENERGY: 2440400 720.1654 2116.7600 1971.7067 109.2581 -206211.4017 17709.0359 0.0000 0.0000 34299.4007 -149285.0749 299.5452 -183584.4756 -149197.7001 298.5511 -128.9780 -94.8273 558981.4635 -9.0753 -9.2953 PRESSURE: 2440600 -209.807 -251.013 60.3954 -251.014 49.5421 -65.2095 60.3949 -65.2092 -354.184 GPRESSURE: 2440600 -202.653 -202.921 170.645 -203.809 90.7161 -42.2483 49.9166 37.6157 -312.282 PRESSAVG: 2440600 -49.2398 1.1599 84.7406 1.15995 38.5699 -24.569 84.7407 -24.5689 -7.6021 GPRESSAVG: 2440600 -50.0085 0.600358 85.2122 -1.09788 40.0427 -23.4723 82.7235 -24.9595 -7.23255 TIMING: 2440600 CPU: 7270.7, 0.00304646/step Wall: 7270.7, 0.00304646/step, 2.16586 hours remaining, 206.257812 MB of memory in use. ENERGY: 2440600 749.0987 2022.2262 1951.6060 90.8092 -205663.5822 17759.1657 0.0000 0.0000 33994.9581 -149095.7183 296.8864 -183090.6764 -148998.5434 299.3518 -171.4832 -141.4062 560735.4399 -6.0907 -5.7328 PRESSURE: 2440800 -241.411 55.3096 173.256 55.3098 -106.416 -14.9308 173.257 -14.9319 -181 GPRESSURE: 2440800 -201.936 66.5582 77.2887 51.4794 -89.2899 0.973465 91.4948 -9.19045 -129.15 PRESSAVG: 2440800 1.56393 -1.31518 44.5247 -1.31521 56.9963 55.3998 44.5247 55.3999 -54.9619 GPRESSAVG: 2440800 2.36662 -0.752463 43.5539 -0.771893 56.2032 52.2392 44.3552 57.7366 -55.1909 TIMING: 2440800 CPU: 7271.31, 0.00300627/step Wall: 7271.31, 0.00300627/step, 2.13713 hours remaining, 206.257812 MB of memory in use. ENERGY: 2440800 776.7000 2003.7117 1939.2015 130.9208 -206127.2174 17706.9338 0.0000 0.0000 34429.9213 -149139.8283 300.6851 -183569.7496 -149047.9542 299.2801 -176.2758 -140.1251 557642.6227 1.1995 1.1263 PRESSURE: 2441000 -155.439 37.6173 88.9991 37.6177 -80.8799 182.758 88.9992 182.757 188.885 GPRESSURE: 2441000 -166.234 81.004 48.4934 15.3509 -10.3383 210.461 83.2159 176.635 222.732 PRESSAVG: 2441000 -47.3532 -26.0146 20.3453 -26.0145 26.7789 65.2478 20.3453 65.2478 28.9274 GPRESSAVG: 2441000 -49.8522 -25.4743 19.587 -26.8279 27.5604 66.7714 20.3587 65.2055 30.1755 TIMING: 2441000 CPU: 7271.91, 0.00302072/step Wall: 7271.91, 0.00302072/step, 2.14723 hours remaining, 206.257812 MB of memory in use. ENERGY: 2441000 768.6032 2034.9810 1939.2328 115.5828 -206135.6069 17717.6404 0.0000 0.0000 34564.4408 -148995.1259 301.8599 -183559.5667 -148899.2812 299.6651 -15.8113 15.3866 556732.3520 2.7844 2.6279 PRESSURE: 2441200 -179.97 82.5558 -46.313 82.5555 121.142 26.8418 -46.3126 26.842 -197.195 GPRESSURE: 2441200 -184.253 62.6311 50.6199 33.0308 111.587 15.7192 -71.1388 84.6379 -92.242 PRESSAVG: 2441200 10.3377 -19.0015 -30.1712 -19.0016 35.0862 -15.2117 -30.1712 -15.2117 -49.9632 GPRESSAVG: 2441200 11.4626 -19.718 -32.6384 -19.7028 33.8634 -17.418 -27.7601 -16.194 -50.4326 TIMING: 2441200 CPU: 7272.51, 0.00301926/step Wall: 7272.51, 0.00301926/step, 2.14602 hours remaining, 206.257812 MB of memory in use. ENERGY: 2441200 782.0816 2073.7293 1933.0261 101.5227 -206091.7309 17844.3028 0.0000 0.0000 34248.9215 -149108.1470 299.1043 -183357.0684 -149014.9899 300.4524 -85.3408 -54.9693 558003.9549 -1.5131 -1.7022 PRESSURE: 2441400 -182.061 15.6854 142.331 15.685 -51.9161 -23.5839 142.332 -23.584 -185.432 GPRESSURE: 2441400 -129.974 21.2776 123.443 89.4874 -18.8939 -35.5732 50.6978 -7.7729 -156.958 PRESSAVG: 2441400 24.2705 -15.7749 -14.515 -15.7749 48.6551 29.3417 -14.5149 29.3416 -19.8044 GPRESSAVG: 2441400 23.7349 -14.7415 -11.7244 -14.1534 48.6877 31.2323 -17.0181 29.7077 -19.3673 TIMING: 2441400 CPU: 7273.12, 0.00300774/step Wall: 7273.12, 0.00300774/step, 2.13767 hours remaining, 206.257812 MB of memory in use. ENERGY: 2441400 752.4518 2089.3064 1937.9983 110.1929 -205987.0747 17584.7159 0.0000 0.0000 34353.3838 -149159.0257 300.0166 -183512.4095 -149057.3229 300.0335 -139.8031 -101.9420 558027.8972 17.7071 17.6851 PRESSURE: 2441600 16.4169 -115.95 -45.8127 -115.95 187.328 85.2403 -45.8116 85.2407 116.752 GPRESSURE: 2441600 -0.453555 -105.732 -30.9623 -91.4098 194.938 79.202 -29.2969 40.8104 218.479 PRESSAVG: 2441600 -39.2957 6.43085 14.9349 6.43086 18.3409 15.3713 14.9348 15.3713 -11.4271 GPRESSAVG: 2441600 -39.256 7.2313 16.2586 4.76911 19.3107 14.2989 13.6513 15.6683 -11.9448 TIMING: 2441600 CPU: 7273.71, 0.00298665/step Wall: 7273.71, 0.00298665/step, 2.12251 hours remaining, 206.257812 MB of memory in use. ENERGY: 2441600 757.5471 2028.3667 1940.9286 108.9630 -206400.1300 18079.7846 0.0000 0.0000 34118.9954 -149365.5447 297.9697 -183484.5401 -149270.0437 299.4713 106.8322 137.6547 557392.3195 -10.7940 -10.6300 PRESSURE: 2441800 -47.9862 241.852 -42.2834 241.852 106.635 142.122 -42.2831 142.122 38.7618 GPRESSURE: 2441800 -57.3667 338.57 -109.824 187.366 189.321 147.282 22.3814 76.3192 60.6982 PRESSAVG: 2441800 -57.0343 1.66761 11.1759 1.66768 64.626 45.3456 11.1759 45.3455 -63.0179 GPRESSAVG: 2441800 -56.6393 -0.99613 8.51139 3.27473 64.7604 44.0007 14.5174 45.5433 -63.1237 TIMING: 2441800 CPU: 7274.31, 0.00299201/step Wall: 7274.31, 0.00299201/step, 2.12616 hours remaining, 206.257812 MB of memory in use. ENERGY: 2441800 724.9163 2085.0658 1936.2533 105.1225 -206365.0300 17957.6241 0.0000 0.0000 34270.4182 -149285.6298 299.2921 -183556.0479 -149187.1619 299.6785 32.4701 64.2174 559407.3720 -18.4754 -18.3342 PRESSURE: 2442000 -115.571 32.4265 81.7283 32.4258 -112.987 -75.9403 81.7292 -75.9409 59.2275 GPRESSURE: 2442000 -106.029 -30.7632 57.6126 101.971 -58.6798 22.0946 46.7874 -70.1016 81.5299 PRESSAVG: 2442000 -98.8049 56.4671 49.6751 56.467 62.1271 -15.377 49.6751 -15.377 -17.5147 GPRESSAVG: 2442000 -99.5661 56.8865 51.2366 55.2406 62.1177 -12.6699 49.8183 -15.3222 -16.8274 TIMING: 2442000 CPU: 7274.92, 0.00302796/step Wall: 7274.92, 0.00302796/step, 2.15153 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: 2442000 746.5121 2112.0661 1954.0398 113.7402 -206059.4325 17767.8376 0.0000 0.0000 34098.2836 -149266.9531 297.7888 -183365.2367 -149176.0517 298.8614 -56.4438 -27.7263 557294.2669 -18.0642 -18.0919 PRESSURE: 2442200 112.252 141.026 -200.154 141.024 -17.9898 89.3212 -200.154 89.3215 -214.215 GPRESSURE: 2442200 136.45 44.2878 -228.774 105.755 70.9719 68.3586 -120.212 15.8653 -242.882 PRESSAVG: 2442200 -104.342 -34.9256 3.50276 -34.9257 69.0178 8.53056 3.50279 8.53056 46.3566 GPRESSAVG: 2442200 -101.89 -35.9973 4.33687 -35.0714 68.4068 7.7913 0.824283 8.01059 44.584 TIMING: 2442200 CPU: 7275.51, 0.002992/step Wall: 7275.51, 0.002992/step, 2.12582 hours remaining, 206.257812 MB of memory in use. ENERGY: 2442200 698.2754 2069.2176 1949.7147 117.3057 -205952.5837 17596.2880 0.0000 0.0000 34348.1230 -149173.6593 299.9707 -183521.7823 -149076.3720 299.3019 -39.9842 -11.8198 557352.4036 3.6773 3.7003 PRESSURE: 2442400 122.975 97.648 28.1385 97.6481 -141.805 -138.132 28.1389 -138.131 -359.766 GPRESSURE: 2442400 113.815 138.707 1.08316 15.6248 -79.3327 -175.903 95.2313 -168.608 -327.31 PRESSAVG: 2442400 52.3651 -3.65554 8.72668 -3.65559 61.9815 -27.5109 8.72666 -27.5108 -115.484 GPRESSAVG: 2442400 51.6297 -2.77371 7.443 -1.32598 61.9803 -26.0862 10.1131 -27.7865 -114.484 TIMING: 2442400 CPU: 7276.11, 0.00296755/step Wall: 7276.11, 0.00296755/step, 2.10828 hours remaining, 206.257812 MB of memory in use. ENERGY: 2442400 711.4522 2093.7063 1941.9890 108.1520 -205664.1144 17515.4472 0.0000 0.0000 34136.1859 -149157.1817 298.1198 -183293.3676 -149061.9898 298.6827 -126.1988 -97.6093 558013.8874 -0.3790 -0.2913 PRESSURE: 2442600 -618.78 101.194 12.1527 101.193 -153.012 11.2763 12.153 11.2777 -368.715 GPRESSURE: 2442600 -564.303 145.012 4.93684 119.469 -93.1308 -5.27926 -2.82481 -43.937 -370.49 PRESSAVG: 2442600 18.1893 34.4867 12.1772 34.4866 -7.28185 0.348375 12.1772 0.348423 2.63585 GPRESSAVG: 2442600 17.636 34.6322 12.0099 33.9078 -6.19068 -1.24086 11.9298 -0.757463 1.85561 TIMING: 2442600 CPU: 7276.71, 0.00301508/step Wall: 7276.71, 0.00301508/step, 2.14188 hours remaining, 206.257812 MB of memory in use. ENERGY: 2442600 765.7430 2067.1077 1905.5099 107.9798 -205703.4520 17289.6851 0.0000 0.0000 34369.5537 -149197.8728 300.1579 -183567.4265 -149099.6024 299.3141 -380.1689 -342.6416 559175.8931 4.5144 4.4336 PRESSURE: 2442800 27.002 -67.5177 -3.43602 -67.5181 -331.366 -62.4323 -3.43637 -62.4304 -171.117 GPRESSURE: 2442800 32.8443 -8.70887 100.431 -51.1175 -290.171 43.2162 11.6584 -167.383 -113.264 PRESSAVG: 2442800 -3.59954 6.11087 -10.5503 6.11093 55.0566 10.7961 -10.5504 10.7961 6.60791 GPRESSAVG: 2442800 -3.43609 5.09203 -9.76571 5.90871 53.9284 11.8079 -12.4511 10.1871 7.93936 TIMING: 2442800 CPU: 7277.32, 0.00302569/step Wall: 7277.32, 0.00302569/step, 2.14925 hours remaining, 206.257812 MB of memory in use. ENERGY: 2442800 756.0087 2037.3106 1952.4394 118.8857 -206019.1713 17655.2338 0.0000 0.0000 34238.3491 -149260.9439 299.0120 -183499.2930 -149160.2191 298.9986 -158.4936 -123.5300 558587.1839 19.3550 19.4772 PRESSURE: 2443000 -239.403 -78.8386 -37.2891 -78.8391 -36.127 49.8345 -37.2889 49.8343 -14.2433 GPRESSURE: 2443000 -204.162 -56.4446 25.6843 -147.787 -4.54473 11.6224 -14.7429 57.6199 17.0862 PRESSAVG: 2443000 -14.0202 47.8226 -16.4263 47.8228 -37.3061 4.61986 -16.4263 4.61974 19.8362 GPRESSAVG: 2443000 -13.4432 48.5879 -16.9703 47.2503 -37.2392 3.81997 -16.6085 5.29584 19.6962 TIMING: 2443000 CPU: 7277.91, 0.00298755/step Wall: 7277.91, 0.00298755/step, 2.12199 hours remaining, 206.257812 MB of memory in use. ENERGY: 2443000 771.7912 2050.2081 1931.9729 101.2216 -205852.8822 17727.2346 0.0000 0.0000 34075.6717 -149194.7821 297.5913 -183270.4538 -149093.6670 298.4547 -96.5912 -63.8737 556728.5489 -10.4967 -10.3287 PRESSURE: 2443200 -19.6261 27.5834 2.81605 27.5827 -121.071 -60.0364 2.81526 -60.0377 86.9657 GPRESSURE: 2443200 19.4316 24.5656 26.7352 -107.762 -99.5928 45.6604 -23.2258 -129.187 114.117 PRESSAVG: 2443200 -30.7957 21.173 26.4481 21.173 17.5074 17.6587 26.4481 17.6586 42.6613 GPRESSAVG: 2443200 -31.7165 22.0991 27.8476 19.9483 18.1904 19.1969 25.8942 17.0934 42.6938 TIMING: 2443200 CPU: 7278.51, 0.00299235/step Wall: 7278.51, 0.00299235/step, 2.12523 hours remaining, 206.257812 MB of memory in use. ENERGY: 2443200 740.2643 2094.9226 1952.5923 102.0432 -205825.9100 17682.9480 0.0000 0.0000 34135.8313 -149117.3083 298.1167 -183253.1397 -149019.8360 298.6629 -17.9105 11.3184 557339.5719 9.7910 9.7226 PRESSURE: 2443400 -124.594 -28.1988 -31.5954 -28.1989 95.7002 93.9536 -31.5954 93.9542 -233.58 GPRESSURE: 2443400 -35.0867 -75.1336 -27.9166 -48.3687 91.2686 11.6123 -32.04 68.1745 -213.413 PRESSAVG: 2443400 52.8153 -25.3941 -16.2831 -25.3942 -14.675 -34.9464 -16.2832 -34.9463 13.6378 GPRESSAVG: 2443400 52.9671 -23.8322 -17.7834 -24.0968 -14.2404 -38.9785 -14.9552 -31.3908 12.5394 TIMING: 2443400 CPU: 7279.11, 0.00300133/step Wall: 7279.11, 0.00300133/step, 2.13144 hours remaining, 206.257812 MB of memory in use. ENERGY: 2443400 746.5280 2064.9960 1935.8380 109.3231 -205755.3851 17542.5728 0.0000 0.0000 34096.9801 -149259.1472 297.7774 -183356.1273 -149164.9883 298.8048 -87.4912 -52.4105 558265.8303 17.2594 17.0887 PRESSURE: 2443600 -3.18322 -98.0612 -99.8805 -98.0611 -56.1172 -121.278 -99.88 -121.279 -109.892 GPRESSURE: 2443600 -1.66008 -67.936 -82.596 -57.1157 13.0943 -177.232 -104.212 -102.672 -83.3391 PRESSAVG: 2443600 -11.9759 -9.85607 -8.91746 -9.85604 35.3349 24.9447 -8.91752 24.9446 -33.063 GPRESSAVG: 2443600 -12.0507 -12.8557 -7.40769 -9.8442 34.3578 26.9408 -8.7185 22.865 -31.8868 TIMING: 2443600 CPU: 7279.71, 0.00301021/step Wall: 7279.71, 0.00301021/step, 2.13759 hours remaining, 206.257812 MB of memory in use. ENERGY: 2443600 725.6603 2062.6989 1936.3024 99.3419 -205991.2326 17769.0035 0.0000 0.0000 34242.1493 -149156.0763 299.0452 -183398.2255 -149054.1566 299.3234 -56.3973 -23.9683 557963.4507 -3.2347 -3.1932 PRESSURE: 2443800 67.7521 -34.5444 -77.4255 -34.545 226.53 -324.041 -77.4248 -324.042 134.904 GPRESSURE: 2443800 136.223 -19.7866 -40.3405 -61.3386 232.14 -290.589 -135.592 -275.933 161.199 PRESSAVG: 2443800 -0.198542 -14.5473 -21.2413 -14.5473 -5.27593 1.35913 -21.2413 1.3592 15.5268 GPRESSAVG: 2443800 -0.357486 -14.0656 -22.5836 -13.1688 -5.21413 0.72546 -21.4554 3.85575 15.2495 TIMING: 2443800 CPU: 7280.31, 0.00298263/step Wall: 7280.31, 0.00298263/step, 2.11783 hours remaining, 206.257812 MB of memory in use. ENERGY: 2443800 726.5597 2089.5243 1950.1539 108.2781 -206146.9071 18003.4340 0.0000 0.0000 34126.3763 -149142.5807 298.0341 -183268.9570 -149046.8613 299.8138 143.0618 176.5207 555700.4908 3.3508 3.2260 PRESSURE: 2444000 -13.0871 90.7845 -16.7965 90.785 -188.977 84.1089 -16.7961 84.1087 -280.023 GPRESSURE: 2444000 12.7852 65.7533 39.4265 123.38 -162.265 61.5421 -41.2851 97.5223 -241.609 PRESSAVG: 2444000 58.0881 29.163 -43.4939 29.163 29.3507 -25.0322 -43.4939 -25.0322 -2.72541 GPRESSAVG: 2444000 56.6915 30.2773 -43.1433 27.4966 29.9866 -24.4029 -45.1013 -24.4963 -1.81563 TIMING: 2444000 CPU: 7280.91, 0.00301662/step Wall: 7280.91, 0.00301662/step, 2.1418 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: 2444000 745.9348 2047.0005 1952.2032 120.8095 -205790.0481 17558.6661 0.0000 0.0000 34161.6075 -149203.8266 298.3418 -183365.4341 -149102.9542 299.3253 -160.6956 -130.3629 558150.4315 28.2378 28.2875 PRESSURE: 2444200 -34.8909 119.313 167.218 119.313 -240.074 162.268 167.218 162.269 -177.069 GPRESSURE: 2444200 -8.21414 184.026 84.5662 121.25 -149.028 110.687 191.038 138.863 -193.282 PRESSAVG: 2444200 46.3875 -4.29815 53.6513 -4.29815 0.924677 8.61773 53.6512 8.6178 -81.4945 GPRESSAVG: 2444200 47.531 -5.12296 52.8275 -5.40766 -0.410635 9.45762 57.8636 5.47884 -80.934 TIMING: 2444200 CPU: 7281.51, 0.00299726/step Wall: 7281.51, 0.00299726/step, 2.12789 hours remaining, 206.257812 MB of memory in use. ENERGY: 2444200 727.6896 2126.6759 1954.9748 111.1938 -205771.5754 17478.0465 0.0000 0.0000 34196.9443 -149176.0505 298.6504 -183372.9948 -149087.2828 299.1846 -150.6780 -116.8415 556674.9807 -11.3941 -11.2712 LDB: ============= START OF LOAD BALANCING ============== 7284.94 LDB: ============== END OF LOAD BALANCING =============== 7284.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7284.95 LDB: ============= START OF LOAD BALANCING ============== 7285.25 LDB: Largest compute 4849 load 0.023965 is 20.3% of average load 0.118055 LDB: Average compute 0.001723 is 1.5% of average load 0.118055 LDB: TIME 7285.25 LOAD: AVG 0.118055 MAX 0.20282 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.543 MB LDB: TIME 7285.25 LOAD: AVG 0.118055 MAX 0.20282 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.57 MB LDB: TIME 7285.25 LOAD: AVG 0.118055 MAX 0.20282 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.57 MB LDB: ============== END OF LOAD BALANCING =============== 7285.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7285.25 PRESSURE: 2444400 -6.40406 -8.50805 -203.519 -8.5095 101.821 74.9103 -203.52 74.9113 150.068 GPRESSURE: 2444400 -10.1585 36.5704 -92.7737 40.443 187.57 151.271 -204.6 56.1512 168.632 PRESSAVG: 2444400 15.3155 -11.9117 18.8354 -11.9118 4.96999 -7.34409 18.8354 -7.34412 -16.6148 GPRESSAVG: 2444400 13.7628 -12.3104 20.1755 -10.024 6.55592 -6.60843 15.9059 -7.11403 -17.2747 TIMING: 2444400 CPU: 7282.13, 0.00305662/step Wall: 7282.13, 0.00305662/step, 2.16986 hours remaining, 205.285156 MB of memory in use. ENERGY: 2444400 731.9183 2095.0442 1962.7942 122.7676 -206264.9377 17962.1451 0.0000 0.0000 34146.1202 -149244.1481 298.2066 -183390.2683 -149148.1375 299.3212 81.8282 115.3477 556532.0242 1.2236 1.0147 PRESSURE: 2444600 -415.332 -88.9811 20.0921 -88.9807 -10.176 44.2921 20.0914 44.2921 -59.2884 GPRESSURE: 2444600 -359.053 -39.5356 58.2416 -70.9351 14.1797 87.8319 38.406 35.5807 -37.4917 PRESSAVG: 2444600 -87.8613 -56.9678 -16.1112 -56.9677 18.9623 22.7634 -16.1112 22.7633 29.0118 GPRESSAVG: 2444600 -86.9083 -58.4162 -16.4324 -56.6937 17.6132 21.7675 -16.8141 23.0416 28.9843 TIMING: 2444600 CPU: 7282.73, 0.0029987/step Wall: 7282.73, 0.0029987/step, 2.12858 hours remaining, 205.285156 MB of memory in use. ENERGY: 2444600 729.9919 2158.7260 1928.0686 101.8113 -205853.7421 17543.4950 0.0000 0.0000 34434.0177 -148957.6317 300.7208 -183391.6495 -148861.6872 299.8609 -161.5989 -127.4551 557804.6522 -13.2958 -13.4369 PRESSURE: 2444800 -155.133 -87.7781 -132.655 -87.7798 -163.751 44.0754 -132.654 44.0743 267.022 GPRESSURE: 2444800 -89.1509 -109.775 -92.5815 -50.1418 -114.092 77.0571 -128.724 -30.2817 237.328 PRESSAVG: 2444800 -20.7475 -26.2515 -23.4361 -26.2514 11.8298 23.0695 -23.4361 23.0695 24.4438 GPRESSAVG: 2444800 -20.5262 -23.5642 -22.9904 -25.24 11.9772 23.5376 -24.1003 24.2784 24.1045 TIMING: 2444800 CPU: 7283.33, 0.00301947/step Wall: 7283.33, 0.00301947/step, 2.14315 hours remaining, 205.285156 MB of memory in use. ENERGY: 2444800 735.6466 2126.8157 1937.5042 118.3761 -206044.5257 17679.7287 0.0000 0.0000 34439.1253 -149007.3292 300.7654 -183446.4545 -148902.8239 300.3286 -17.2874 11.3615 556849.3070 5.1754 5.1851 PRESSURE: 2445000 -270.218 -26.6197 41.1112 -26.62 19.8803 -7.77262 41.1099 -7.77268 326.126 GPRESSURE: 2445000 -278.654 -133.177 10.8941 76.1278 128.875 -32.7518 50.645 69.4444 327.024 PRESSAVG: 2445000 12.8737 -22.8694 0.727075 -22.8694 -18.702 62.8434 0.72713 62.8434 -0.52362 GPRESSAVG: 2445000 12.8274 -23.8842 -1.71181 -24.0504 -18.3327 61.0867 3.81459 62.3163 -0.945189 TIMING: 2445000 CPU: 7283.93, 0.00300507/step Wall: 7283.93, 0.00300507/step, 2.13277 hours remaining, 205.285156 MB of memory in use. ENERGY: 2445000 747.6385 2090.3263 1958.5035 117.5246 -205970.2701 17739.4546 0.0000 0.0000 34332.7229 -148984.0997 299.8362 -183316.8227 -148884.4641 299.2809 25.2626 59.0818 557257.7445 -2.1173 -2.1502 PRESSURE: 2445200 178.846 81.2969 -72.417 81.2966 -19.9664 7.45701 -72.4178 7.4583 -104.819 GPRESSURE: 2445200 230.874 59.244 -97.467 43.0987 -5.49815 93.4556 -64.7793 -77.1884 -83.2634 PRESSAVG: 2445200 23.2293 29.6586 -47.5388 29.6587 -5.2765 -13.9467 -47.5388 -13.9467 -8.50228 GPRESSAVG: 2445200 22.1972 29.1487 -46.1581 29.9322 -4.73609 -13.8407 -48.6767 -13.8696 -8.26494 TIMING: 2445200 CPU: 7284.53, 0.00298877/step Wall: 7284.53, 0.00298877/step, 2.12103 hours remaining, 205.285156 MB of memory in use. ENERGY: 2445200 744.5878 2061.3245 1945.3705 116.5241 -206047.7363 17829.6105 0.0000 0.0000 34225.2435 -149125.0753 298.8976 -183350.3188 -149028.9718 298.9592 18.0200 47.3707 557909.7694 3.1502 3.0654 PRESSURE: 2445400 16.853 -53.2755 -96.1482 -53.2751 -140.037 16.705 -96.1485 16.7047 -196.235 GPRESSURE: 2445400 66.1302 -78.904 -65.6074 34.9054 -163.981 2.11553 -178.244 -13.5367 -115.291 PRESSAVG: 2445400 46.1322 9.02247 -50.7248 9.02251 -7.56575 11.2084 -50.7248 11.2084 15.9224 GPRESSAVG: 2445400 45.9818 8.45181 -49.3986 8.212 -7.57819 11.7647 -51.5697 9.54775 15.8451 TIMING: 2445400 CPU: 7285.12, 0.00298274/step Wall: 7285.12, 0.00298274/step, 2.11659 hours remaining, 205.285156 MB of memory in use. ENERGY: 2445400 732.7410 2111.2592 1953.6491 116.0672 -206279.9700 17676.4934 0.0000 0.0000 34352.1254 -149337.6346 300.0057 -183689.7600 -149246.2538 299.0989 -106.4730 -71.0470 557096.9168 18.1629 18.0829 PRESSURE: 2445600 105.107 65.4455 -116 65.4446 110.585 20.134 -116 20.1326 171.817 GPRESSURE: 2445600 140.07 31.9661 -92.4946 82.4275 134.102 -8.81268 -121.888 11.8771 214.937 PRESSAVG: 2445600 1.83545 4.0332 16.2295 4.03323 -58.9313 15.1953 16.2295 15.1953 45.7605 GPRESSAVG: 2445600 1.55906 5.21451 15.4596 2.40825 -59.8984 15.7513 17.5548 17.13 46.6145 TIMING: 2445600 CPU: 7285.72, 0.00298357/step Wall: 7285.72, 0.00298357/step, 2.11701 hours remaining, 205.285156 MB of memory in use. ENERGY: 2445600 739.8545 2125.0614 1928.3221 115.7376 -206509.0423 18007.9199 0.0000 0.0000 34289.7855 -149302.3612 299.4612 -183592.1467 -149203.3772 299.5476 129.1699 163.0364 556274.4509 -3.7784 -3.9083 PRESSURE: 2445800 -49.6664 -18.4331 165.021 -18.433 315.975 -101.339 165.021 -101.338 51.3667 GPRESSURE: 2445800 -18.9215 -70.6951 204.005 -35.3097 358.679 -66.3913 198.145 -145.453 79.0339 PRESSAVG: 2445800 -8.82314 -16.1117 64.4668 -16.1117 95.2863 -2.92091 64.4669 -2.92094 -92.5227 GPRESSAVG: 2445800 -8.07071 -17.7057 64.4776 -15.8359 96.3827 -3.37249 63.1776 -3.01215 -93.667 TIMING: 2445800 CPU: 7286.32, 0.00299562/step Wall: 7286.32, 0.00299562/step, 2.12539 hours remaining, 205.285156 MB of memory in use. ENERGY: 2445800 775.0613 2132.7836 1967.2110 101.2220 -206571.4931 18020.2362 0.0000 0.0000 34376.0608 -149198.9182 300.2147 -183574.9790 -149105.5504 299.2477 105.8917 139.5973 557386.2253 -2.0198 -1.7850 PRESSURE: 2446000 157.419 111.177 43.8505 111.176 39.2936 103.726 43.8503 103.727 -79.5048 GPRESSURE: 2446000 257.796 82.0474 75.8832 61.6643 27.3442 88.9072 77.3164 59.9658 -71.2076 PRESSAVG: 2446000 50.2035 -22.5691 16.2047 -22.5692 20.2659 5.58887 16.2047 5.58889 -35.69 GPRESSAVG: 2446000 50.2623 -21.1199 16.9988 -21.979 19.9489 6.62746 18.2586 3.04141 -35.6418 TIMING: 2446000 CPU: 7286.92, 0.00298319/step Wall: 7286.92, 0.00298319/step, 2.11641 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: 2446000 779.8353 2085.8857 1946.5451 107.2338 -206222.8097 17829.3491 0.0000 0.0000 34330.7307 -149143.2301 299.8188 -183473.9608 -149044.7524 299.2534 39.0694 71.3107 557330.2547 11.5931 11.5231 PRESSURE: 2446200 -45.3797 -13.267 77.2504 -13.2671 -253.592 -0.639252 77.2489 -0.639215 -268.284 GPRESSURE: 2446200 -2.51271 16.7751 67.9989 -34.8398 -168.361 24.1145 115.745 37.55 -289.899 PRESSAVG: 2446200 14.6822 10.1927 40.686 10.1926 30.6674 -8.27266 40.6859 -8.27265 -59.9067 GPRESSAVG: 2446200 13.9588 8.59127 42.1626 11.2151 30.5325 -8.06843 40.1397 -6.64657 -59.2334 TIMING: 2446200 CPU: 7287.51, 0.00297381/step Wall: 7287.51, 0.00297381/step, 2.10958 hours remaining, 205.285156 MB of memory in use. ENERGY: 2446200 787.0875 2084.7223 1954.8533 112.8673 -205911.1204 17566.2463 0.0000 0.0000 34345.6255 -149059.7182 299.9489 -183405.3437 -148966.2188 299.8483 -189.0849 -153.5908 557807.7455 -4.8524 -4.9140 PRESSURE: 2446400 33.1589 -118.5 -105.4 -118.5 -0.581143 -0.165 -105.398 -0.165291 132.46 GPRESSURE: 2446400 86.5488 -184.839 -169.159 -20.0926 3.49484 83.4388 -91.5147 18.5816 182.42 PRESSAVG: 2446400 -1.0104 8.60773 30.855 8.60775 75.7512 -9.85903 30.8551 -9.85906 -49.4955 GPRESSAVG: 2446400 -0.0480027 11.2427 28.4291 7.313 75.9744 -8.26506 29.304 -10.7498 -50.2943 TIMING: 2446400 CPU: 7288.11, 0.00299731/step Wall: 7288.11, 0.00299731/step, 2.12609 hours remaining, 205.285156 MB of memory in use. ENERGY: 2446400 750.9553 2116.7914 1948.7354 107.0409 -206029.6496 17767.0858 0.0000 0.0000 34180.7301 -149158.3107 298.5088 -183339.0408 -149072.4465 299.7194 55.0125 90.8213 557090.2384 8.4151 8.5440 PRESSURE: 2446600 128.508 135.464 3.8703 135.465 164.087 148.877 3.87014 148.876 -13.8818 GPRESSURE: 2446600 138.958 112.266 -70.9331 190.442 179.76 124.483 47.5676 181.933 50.8312 PRESSAVG: 2446600 52.5312 13.2614 -0.139541 13.2613 -3.10055 -8.3737 -0.139519 -8.37369 -45.2939 GPRESSAVG: 2446600 52.2966 13.0223 -0.388215 14.9045 -3.48385 -10.6925 1.52968 -8.00949 -44.7436 TIMING: 2446600 CPU: 7288.71, 0.00300422/step Wall: 7288.71, 0.00300422/step, 2.13082 hours remaining, 205.285156 MB of memory in use. ENERGY: 2446600 678.5450 2087.7465 1940.1748 102.2397 -206505.3848 18085.2435 0.0000 0.0000 34283.5489 -149327.8864 299.4068 -183611.4353 -149226.9635 298.7422 92.9046 123.1828 556974.1605 1.3789 1.3564 PRESSURE: 2446800 90.673 133.297 228.414 133.296 25.1489 -62.8236 228.414 -62.8242 78.7247 GPRESSURE: 2446800 95.5518 112.623 242.008 31.03 62.7006 14.8847 171.693 -35.6381 122.024 PRESSAVG: 2446800 67.4653 0.965666 23.5287 0.965701 -68.3443 -12.414 23.5287 -12.414 -2.65176 GPRESSAVG: 2446800 67.4144 -0.756289 24.9228 0.427855 -68.7277 -11.9324 22.4237 -14.1722 -2.11765 TIMING: 2446800 CPU: 7289.31, 0.0029884/step Wall: 7289.31, 0.0029884/step, 2.11944 hours remaining, 205.285156 MB of memory in use. ENERGY: 2446800 753.2408 2044.0345 1955.3889 109.4748 -206004.5719 17840.7160 0.0000 0.0000 34056.1842 -149245.5327 297.4211 -183301.7169 -149151.4127 299.0593 64.8489 93.4255 557777.5363 -1.1769 -1.1437 PRESSURE: 2447000 -313.824 68.2805 -91.7837 68.2791 -247.418 27.8056 -91.7838 27.8061 76.3092 GPRESSURE: 2447000 -294.083 103.391 -38.2467 54.7406 -188.106 66.8816 -99.5093 -28.3173 87.5012 PRESSAVG: 2447000 -54.7041 -51.8984 -27.0476 -51.8983 -13.0257 -9.5309 -27.0477 -9.53096 73.5095 GPRESSAVG: 2447000 -54.1237 -51.478 -29.1608 -51.6728 -12.7635 -8.92627 -26.0983 -8.00112 71.9732 TIMING: 2447000 CPU: 7289.91, 0.00301086/step Wall: 7289.91, 0.00301086/step, 2.1352 hours remaining, 205.285156 MB of memory in use. ENERGY: 2447000 728.2680 2022.1725 1943.0208 90.2809 -205725.3758 17532.6750 0.0000 0.0000 34122.9104 -149286.0483 298.0039 -183408.9586 -149191.7585 298.7511 -161.6444 -131.5624 557718.2954 1.9266 1.6953 PRESSURE: 2447200 -65.703 -217.235 36.6316 -217.234 -94.9638 -69.2923 36.632 -69.2923 -128.583 GPRESSURE: 2447200 -4.08141 -224.811 -13.4791 -109.062 -98.9837 -16.8581 61.9156 -140.655 -99.5524 PRESSAVG: 2447200 30.149 -4.35175 59.7242 -4.35183 -20.4297 -16.3929 59.7241 -16.3928 11.7716 GPRESSAVG: 2447200 29.2683 -4.55086 59.1816 -5.17931 -21.0842 -16.5304 59.0681 -15.4544 13.2336 TIMING: 2447200 CPU: 7290.51, 0.00299374/step Wall: 7290.51, 0.00299374/step, 2.12289 hours remaining, 205.285156 MB of memory in use. ENERGY: 2447200 728.5854 2068.0518 1954.1445 99.7485 -205982.3729 17563.8725 0.0000 0.0000 34304.7220 -149263.2481 299.5917 -183567.9701 -149159.9334 299.2038 -96.4167 -67.5391 558022.2599 7.1637 7.1392 PRESSURE: 2447400 -265.675 36.7006 150.1 36.7005 -53.4473 157.113 150.1 157.112 -213.778 GPRESSURE: 2447400 -228.959 67.9815 106.471 90.2966 29.6566 209.088 199.618 134.435 -235.359 PRESSAVG: 2447400 -59.4744 -7.20355 14.4218 -7.20355 24.6752 26.0085 14.4218 26.0084 -23.4141 GPRESSAVG: 2447400 -59.7201 -5.1236 16.2594 -7.03678 26.0849 26.18 15.6476 24.251 -24.503 TIMING: 2447400 CPU: 7291.11, 0.00299884/step Wall: 7291.11, 0.00299884/step, 2.12635 hours remaining, 205.285156 MB of memory in use. ENERGY: 2447400 799.2566 2064.1240 1985.9380 95.7192 -206082.0273 17648.0023 0.0000 0.0000 34263.9049 -149225.0822 299.2352 -183488.9871 -149120.0221 299.3395 -177.6332 -144.8871 558070.9424 -19.4044 -19.3794 PRESSURE: 2447600 -198.136 -20.4109 -80.1168 -20.4111 -153.057 -105.185 -80.1156 -105.185 175.017 GPRESSURE: 2447600 -157.717 -33.2193 -47.7946 -40.5977 -88.4147 -78.766 -89.6292 -85.799 165.265 PRESSAVG: 2447600 -39.1854 17.4641 -30.6533 17.4641 60.7514 -14.8249 -30.6533 -14.825 -16.591 GPRESSAVG: 2447600 -38.4173 16.291 -31.3596 17.4779 60.1075 -17.6174 -32.5223 -12.645 -16.0605 TIMING: 2447600 CPU: 7291.71, 0.00298884/step Wall: 7291.71, 0.00298884/step, 2.11909 hours remaining, 205.285156 MB of memory in use. ENERGY: 2447600 781.2554 2031.8540 1985.2828 104.5559 -206070.1489 17815.8989 0.0000 0.0000 34160.9636 -149190.3383 298.3362 -183351.3019 -149099.5548 299.5187 -58.7254 -26.9555 558965.5070 1.6583 1.8766 PRESSURE: 2447800 161.361 -42.0399 -74.8186 -42.0394 -371.708 20.885 -74.8184 20.8849 -432.194 GPRESSURE: 2447800 230.647 -27.0463 46.7503 -66.4342 -350.714 26.1643 -144.131 28.2149 -427.131 PRESSAVG: 2447800 2.27143 -35.9462 2.56535 -35.9462 -44.7779 -11.7971 2.56534 -11.797 45.5906 GPRESSAVG: 2447800 2.33306 -34.1808 3.96797 -36.7642 -44.4801 -11.6562 1.41801 -11.072 45.9591 TIMING: 2447800 CPU: 7292.31, 0.00299608/step Wall: 7292.31, 0.00299608/step, 2.12405 hours remaining, 205.285156 MB of memory in use. ENERGY: 2447800 745.7254 2137.7127 1935.0023 123.7874 -205796.5752 17586.6936 0.0000 0.0000 34093.3667 -149174.2872 297.7459 -183267.6539 -149082.9375 298.8916 -214.1804 -182.3992 558613.0446 1.0280 1.2707 PRESSURE: 2448000 14.1175 120.596 -4.8621 120.596 -302.462 177.639 -4.86126 177.638 -103.439 GPRESSURE: 2448000 72.5871 200.552 -64.3588 26.5331 -275.406 165.301 29.648 136.818 -78.0933 PRESSAVG: 2448000 -1.74306 68.434 15.3106 68.434 17.0492 3.98614 15.3105 3.98606 -28.9502 GPRESSAVG: 2448000 -2.79147 66.9473 13.8256 68.3786 15.8854 5.6663 17.6798 0.52174 -27.0169 TIMING: 2448000 CPU: 7292.9, 0.00298168/step Wall: 7292.9, 0.00298168/step, 2.11368 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: 2448000 741.9292 2064.5811 1931.3199 109.6650 -206052.8297 17675.8503 0.0000 0.0000 34309.5301 -149219.9542 299.6337 -183529.4842 -149116.8898 299.7377 -130.5945 -93.6374 558403.8539 -4.5480 -4.6410 PRESSURE: 2448200 -180.838 -62.2607 -16.6024 -62.2612 143.686 124.985 -16.6029 124.985 98.724 GPRESSURE: 2448200 -151.459 -84.8749 4.46061 -46.4567 149.743 90.6115 52.2909 148.756 162.133 PRESSAVG: 2448200 55.2762 39.1798 1.36218 39.1798 -51.243 33.2424 1.3621 33.2423 7.01161 GPRESSAVG: 2448200 56.6013 40.7421 1.91012 39.4375 -51.7123 33.6121 -0.466223 34.6962 6.00377 TIMING: 2448200 CPU: 7293.51, 0.00300988/step Wall: 7293.51, 0.00300988/step, 2.1335 hours remaining, 205.285156 MB of memory in use. ENERGY: 2448200 771.5939 2051.2821 1949.5784 121.5908 -206333.7735 17924.0837 0.0000 0.0000 34309.0148 -149206.6298 299.6292 -183515.6446 -149115.5991 299.9619 20.5241 53.4726 557126.7699 3.6816 3.6309 LDB: ============= START OF LOAD BALANCING ============== 7296.94 LDB: ============== END OF LOAD BALANCING =============== 7296.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7296.94 LDB: ============= START OF LOAD BALANCING ============== 7297.24 LDB: Largest compute 4821 load 0.024746 is 21.0% of average load 0.118108 LDB: Average compute 0.001722 is 1.5% of average load 0.118108 LDB: TIME 7297.24 LOAD: AVG 0.118108 MAX 0.206032 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.082 MB LDB: TIME 7297.24 LOAD: AVG 0.118108 MAX 0.206032 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: TIME 7297.24 LOAD: AVG 0.118108 MAX 0.206032 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 7297.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7297.25 PRESSURE: 2448400 -252.047 103.659 29.6898 103.661 -92.2308 -39.6804 29.6916 -39.6816 3.07315 GPRESSURE: 2448400 -145.929 44.3104 -6.957 136.69 -139.307 -63.8651 23.1802 40.2297 37.2799 PRESSAVG: 2448400 -45.6575 -28.8979 -40.0781 -28.8979 9.22426 44.7651 -40.0781 44.765 -8.63579 GPRESSAVG: 2448400 -47.04 -30.8665 -40.1876 -28.4741 10.4284 44.1866 -38.4041 44.5447 -8.43979 TIMING: 2448400 CPU: 7294.12, 0.00307538/step Wall: 7294.12, 0.00307538/step, 2.17976 hours remaining, 206.773438 MB of memory in use. ENERGY: 2448400 713.5025 2055.7633 1961.5867 118.5600 -205874.0447 17519.8264 0.0000 0.0000 34239.8435 -149264.9623 299.0251 -183504.8057 -149166.1502 298.9919 -113.7350 -82.6523 557511.8704 -15.0230 -15.0171 PRESSURE: 2448600 36.5226 -115.501 -122.09 -115.5 130.459 51.1763 -122.09 51.1778 213.321 GPRESSURE: 2448600 113.587 -234.574 -57.2757 -80.6206 178.014 -23.8371 -187.702 55.905 180.086 PRESSAVG: 2448600 -0.551601 -3.22052 -15.4033 -3.22064 41.8018 -3.7812 -15.4034 -3.78126 -56.3977 GPRESSAVG: 2448600 0.499511 -4.55883 -16.5831 -3.68212 40.9058 -1.12478 -17.6613 -5.01088 -56.1587 TIMING: 2448600 CPU: 7294.72, 0.00300377/step Wall: 7294.72, 0.00300377/step, 2.12884 hours remaining, 206.773438 MB of memory in use. ENERGY: 2448600 697.0494 2083.8060 1946.0606 109.2083 -206388.8402 17908.7241 0.0000 0.0000 34320.4158 -149323.5760 299.7287 -183643.9917 -149231.2535 299.2822 126.7673 157.2293 556966.6542 -5.0492 -4.9178 PRESSURE: 2448800 -333.942 -140.911 -92.8867 -140.91 -201.673 61.2043 -92.8868 61.2039 -141.981 GPRESSURE: 2448800 -291.845 -133.377 -100.739 -147.265 -208.428 60.4092 -105.193 142.311 -87.0951 PRESSAVG: 2448800 -20.5244 -31.7306 15.8866 -31.7306 18.4361 26.591 15.8866 26.5908 27.8201 GPRESSAVG: 2448800 -20.0945 -30.4329 16.5655 -33.2306 17.9484 23.2771 16.9219 27.6725 28.1202 TIMING: 2448800 CPU: 7295.32, 0.00300891/step Wall: 7295.32, 0.00300891/step, 2.13232 hours remaining, 206.773438 MB of memory in use. ENERGY: 2448800 731.5200 2097.9002 1946.6014 113.1801 -205781.4465 17415.5732 0.0000 0.0000 34210.1242 -149266.5473 298.7655 -183476.6715 -149172.7965 298.6809 -225.8651 -195.7894 557884.8233 8.5773 8.6580 PRESSURE: 2449000 -242.813 -31.3633 93.1839 -31.3621 -118.333 -9.64574 93.1833 -9.64557 -158.067 GPRESSURE: 2449000 -207.24 2.22308 27.4369 6.26126 -101.902 -83.7077 148.901 109.194 -103.425 PRESSAVG: 2449000 11.7934 -12.19 36.4195 -12.19 -47.4143 -6.59684 36.4196 -6.59676 11.1513 GPRESSAVG: 2449000 10.8974 -11.9159 36.9701 -11.1301 -46.0432 -9.153 37.7094 -4.38378 10.8794 TIMING: 2449000 CPU: 7295.92, 0.00298507/step Wall: 7295.92, 0.00298507/step, 2.11526 hours remaining, 206.773438 MB of memory in use. ENERGY: 2449000 757.6021 2060.0496 1930.2312 103.1600 -206133.0699 17606.8211 0.0000 0.0000 34249.4182 -149425.7876 299.1087 -183675.2058 -149330.8570 298.8463 -173.0713 -137.5224 556677.7637 -8.1565 -8.0888 PRESSURE: 2449200 -71.0386 -27.1933 30.5822 -27.1932 -262.954 281.422 30.5817 281.421 -102.676 GPRESSURE: 2449200 -1.93058 -3.13948 14.2401 -47.639 -281.471 233.944 -31.2534 250.795 -64.7711 PRESSAVG: 2449200 19.198 6.87402 -22.5554 6.87407 35.167 -18.7678 -22.5554 -18.7679 -21.2535 GPRESSAVG: 2449200 20.2398 8.00562 -20.9091 5.58442 34.7912 -16.0609 -24.5253 -20.2544 -21.5968 TIMING: 2449200 CPU: 7296.52, 0.00297725/step Wall: 7296.52, 0.00297725/step, 2.10955 hours remaining, 206.773438 MB of memory in use. ENERGY: 2449200 746.3047 2105.4831 1938.3198 111.5133 -205750.6967 17359.9574 0.0000 0.0000 34193.3376 -149295.7810 298.6189 -183489.1185 -149202.8957 298.3575 -145.5561 -116.0575 555918.4761 11.0372 11.1448 PRESSURE: 2449400 -404.691 -123.647 60.5772 -123.648 -117.572 -17.4613 60.5763 -17.46 -317.293 GPRESSURE: 2449400 -374.572 -265.038 123.446 -42.6266 -32.7281 6.07985 124.412 -66.2839 -345.062 PRESSAVG: 2449400 -33.5495 5.44122 -14.3498 5.4413 -16.3175 -2.31883 -14.3497 -2.31881 33.1915 GPRESSAVG: 2449400 -33.0428 5.45256 -15.8839 6.62285 -16.2033 -0.650815 -13.9252 -4.07915 32.4521 TIMING: 2449400 CPU: 7297.11, 0.00297351/step Wall: 7297.11, 0.00297351/step, 2.10673 hours remaining, 206.773438 MB of memory in use. ENERGY: 2449400 766.1403 2038.1334 1925.3510 105.1731 -206007.3524 17423.5852 0.0000 0.0000 34207.6891 -149541.2803 298.7443 -183748.9693 -149448.1758 298.0424 -279.8518 -250.7874 556273.5035 -5.5585 -5.5980 PRESSURE: 2449600 88.9142 -46.2991 57.3918 -46.2984 1.25457 2.22677 57.3919 2.22756 197.64 GPRESSURE: 2449600 165.545 -20.7485 68.1491 -46.3019 37.132 -41.5306 114.462 6.2036 182.02 PRESSAVG: 2449600 -127.713 -42.3942 -8.89965 -42.3941 21.9578 -1.84353 -8.89966 -1.84357 90.0639 GPRESSAVG: 2449600 -128.056 -43.5201 -9.55615 -41.4498 22.0012 -4.22932 -8.45689 0.196845 90.0077 TIMING: 2449600 CPU: 7297.71, 0.00298742/step Wall: 7297.71, 0.00298742/step, 2.11642 hours remaining, 206.773438 MB of memory in use. ENERGY: 2449600 734.8895 2051.4745 1944.3777 119.2565 -206201.7887 17853.8736 0.0000 0.0000 34035.1847 -149462.7322 297.2377 -183497.9169 -149380.9838 297.8706 95.9362 128.2325 555322.8315 -5.2305 -5.3491 PRESSURE: 2449800 -5.4099 -31.4123 -29.3434 -31.4134 58.277 -83.6262 -29.3414 -83.6259 33.7206 GPRESSURE: 2449800 -30.7941 -15.3335 18.223 -87.0143 158.148 -69.7808 -60.5796 -61.251 73.4896 PRESSAVG: 2449800 -1.3526 10.301 20.7726 10.3011 -23.9411 44.2521 20.7726 44.252 -10.4147 GPRESSAVG: 2449800 -1.35081 12.9894 21.5068 8.8007 -24.9801 45.7047 21.7264 42.7777 -9.49572 TIMING: 2449800 CPU: 7298.3, 0.00298397/step Wall: 7298.3, 0.00298397/step, 2.11381 hours remaining, 206.773438 MB of memory in use. ENERGY: 2449800 760.0928 2112.6859 1976.2388 114.3301 -206357.9659 17844.7710 0.0000 0.0000 34134.4763 -149415.3710 298.1049 -183549.8473 -149322.3006 299.0579 28.8626 66.9479 555484.1712 -11.9028 -11.9422 PRESSURE: 2450000 -178.303 -78.4895 -22.9839 -78.4891 108.24 61.0083 -22.9841 61.0085 14.6023 GPRESSURE: 2450000 -120.561 -131.714 116.5 -123.058 88.3678 23.013 -71.3365 50.6826 74.3444 PRESSAVG: 2450000 -28.6465 -42.1563 32.2587 -42.1563 38.272 28.8807 32.2587 28.8807 -10.8589 GPRESSAVG: 2450000 -29.18 -43.9056 29.8897 -39.7253 38.7114 30.1711 31.1054 30.0245 -9.99562 TIMING: 2450000 CPU: 7298.9, 0.0029974/step Wall: 7298.9, 0.0029974/step, 2.12316 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: 2450000 737.0612 2132.7883 1951.5937 123.7158 -205908.8577 17695.2008 0.0000 0.0000 33966.7209 -149301.7770 296.6398 -183268.4979 -149207.0117 298.6919 -18.4867 14.0504 556469.0964 -0.4111 -0.1547 PRESSURE: 2450200 270.843 79.0056 -4.03367 79.006 68.6477 -58.828 -4.03324 -58.8287 147.964 GPRESSURE: 2450200 318.208 123.515 45.2647 65.6365 106.031 -108.795 -66.6017 -49.9015 152.839 PRESSAVG: 2450200 -29.4781 10.977 -9.18441 10.9771 62.2481 -17.7522 -9.18438 -17.7523 -50.3042 GPRESSAVG: 2450200 -30.0743 10.1109 -8.20507 10.4203 62.695 -19.5884 -8.36534 -18.3467 -50.3103 TIMING: 2450200 CPU: 7299.5, 0.00297973/step Wall: 7299.5, 0.00297973/step, 2.11047 hours remaining, 206.773438 MB of memory in use. ENERGY: 2450200 718.6128 2064.6140 1941.7389 127.5264 -206544.8538 18114.2430 0.0000 0.0000 34245.9582 -149332.1604 299.0785 -183578.1186 -149236.4978 299.1870 162.4847 192.3595 557356.3075 -5.8447 -5.8965 PRESSURE: 2450400 -83.9968 -128.333 -78.8015 -128.332 71.5744 243.712 -78.8011 243.713 -107.193 GPRESSURE: 2450400 -8.00852 -111.063 -52.1839 -121.145 59.8269 250.298 -143.101 226.924 -71.9518 PRESSAVG: 2450400 20.1943 -33.0943 -20.7316 -33.0942 -2.91865 42.6505 -20.7316 42.6505 -27.2577 GPRESSAVG: 2450400 21.5424 -30.7533 -21.7388 -35.2773 -4.4563 41.6924 -21.1051 44.187 -27.3212 TIMING: 2450400 CPU: 7300.1, 0.00298354/step Wall: 7300.1, 0.00298354/step, 2.11301 hours remaining, 206.773438 MB of memory in use. ENERGY: 2450400 738.5363 2115.2081 1983.7193 129.2889 -206407.4753 17865.6370 0.0000 0.0000 34297.5016 -149277.5841 299.5286 -183575.0856 -149185.5117 298.6059 -39.8718 -6.7111 557573.6616 -3.3274 -3.4117 PRESSURE: 2450600 -122.596 -80.8513 22.339 -80.8513 266.865 80.4446 22.3397 80.4453 -4.34845 GPRESSURE: 2450600 -57.6372 -57.9787 -91.721 -17.096 282.795 32.285 45.9642 128.77 17.0489 PRESSAVG: 2450600 2.38209 -8.6385 -14.132 -8.63844 75.562 64.8131 -14.132 64.813 -26.6976 GPRESSAVG: 2450600 3.25668 -8.76382 -12.0083 -7.13177 76.075 67.8007 -12.5362 63.0958 -27.5874 TIMING: 2450600 CPU: 7300.7, 0.0029995/step Wall: 7300.7, 0.0029995/step, 2.12414 hours remaining, 206.773438 MB of memory in use. ENERGY: 2450600 698.0931 2090.9907 1928.4908 103.5959 -205781.2047 17639.6860 0.0000 0.0000 34139.8841 -149180.4640 298.1521 -183320.3481 -149089.0519 299.1217 46.6403 80.7356 557753.8953 17.0822 17.2481 PRESSURE: 2450800 -54.1115 -131.238 1.8058 -131.239 -26.5275 -43.0788 1.80621 -43.0799 -33.4539 GPRESSURE: 2450800 -38.2802 -201.087 -25.1747 -154.126 -17.3045 -17.004 60.5529 -71.7306 25.3592 PRESSAVG: 2450800 17.6056 -52.1622 -36.032 -52.1622 -41.5373 34.0855 -36.032 34.0855 -24.4056 GPRESSAVG: 2450800 16.5615 -53.4869 -36.1629 -51.5139 -42.0416 32.7478 -35.0692 36.0886 -23.5483 TIMING: 2450800 CPU: 7301.29, 0.00296991/step Wall: 7301.29, 0.00296991/step, 2.10303 hours remaining, 206.773438 MB of memory in use. ENERGY: 2450800 730.8992 2095.8675 1950.5479 115.6849 -206296.0089 17667.1667 0.0000 0.0000 34349.5980 -149386.2448 299.9836 -183735.8428 -149289.4364 298.5005 -38.0309 -10.0752 556895.6932 -16.1124 -16.3428 PRESSURE: 2451000 -258.872 81.0704 -49.0678 81.0702 52.7618 56.1476 -49.0665 56.1479 -251.296 GPRESSURE: 2451000 -233.108 191.182 -67.1377 -55.8559 85.0819 20.2515 -31.9518 25.1071 -213.984 PRESSAVG: 2451000 -16.8094 -13.4177 -31.9734 -13.4178 67.0428 15.884 -31.9734 15.8838 -1.83254 GPRESSAVG: 2451000 -16.0785 -14.2298 -34.6551 -13.6596 68.1255 14.3981 -32.0018 15.8987 -2.97942 TIMING: 2451000 CPU: 7301.89, 0.00299322/step Wall: 7301.89, 0.00299322/step, 2.11937 hours remaining, 206.773438 MB of memory in use. ENERGY: 2451000 780.9496 2076.4886 1966.2323 115.2126 -205804.5915 17474.4968 0.0000 0.0000 33836.2749 -149554.9367 295.5006 -183391.2116 -149457.1133 298.1838 -152.4688 -120.6700 557505.0103 16.1336 16.3558 PRESSURE: 2451200 99.2035 60.3174 22.184 60.3167 5.38529 74.4765 22.184 74.4759 -76.6749 GPRESSURE: 2451200 93.0041 6.64313 27.8917 25.9362 66.5233 36.9544 21.7702 30.5701 -37.4553 PRESSAVG: 2451200 18.0138 -17.2062 -43.1615 -17.2063 55.1027 26.2052 -43.1614 26.2053 -65.1546 GPRESSAVG: 2451200 16.595 -17.3851 -41.633 -18.5045 54.857 28.2734 -43.3598 22.0776 -63.7865 TIMING: 2451200 CPU: 7302.48, 0.00297525/step Wall: 7302.48, 0.00297525/step, 2.10648 hours remaining, 206.773438 MB of memory in use. ENERGY: 2451200 727.0280 2109.0740 1916.0658 102.2567 -206241.4488 17798.4045 0.0000 0.0000 34244.0105 -149344.6093 299.0615 -183588.6199 -149251.0300 298.1534 9.3046 40.6907 556070.1957 2.6540 2.5552 PRESSURE: 2451400 187.727 -140.306 31.1905 -140.306 246.71 191.782 31.1897 191.782 121.139 GPRESSURE: 2451400 266.124 -85.0696 93.024 -206.505 291.285 225.614 -0.33134 174.838 91.1812 PRESSAVG: 2451400 19.0613 -14.1068 24.5251 -14.1069 13.6332 36.5502 24.525 36.5504 -48.1356 GPRESSAVG: 2451400 19.7924 -14.0515 26.1553 -13.8074 14.4773 36.8528 24.3494 37.8375 -49.7739 TIMING: 2451400 CPU: 7303.08, 0.00298644/step Wall: 7303.08, 0.00298644/step, 2.11424 hours remaining, 206.773438 MB of memory in use. ENERGY: 2451400 737.1420 2020.3273 1936.8471 113.7104 -206709.6643 18182.3821 0.0000 0.0000 34213.2835 -149505.9719 298.7931 -183719.2554 -149405.7665 298.6546 185.1917 216.1967 556762.1805 -5.1470 -5.1681 PRESSURE: 2451600 -29.4542 140.703 -217.572 140.703 97.6985 209.338 -217.572 209.339 157.788 GPRESSURE: 2451600 -34.8093 130.327 -147.627 171.117 148.9 79.28 -211.552 225.577 216.87 PRESSAVG: 2451600 17.9881 -46.0958 -20.6245 -46.0958 48.1898 70.921 -20.6245 70.921 -58.6789 GPRESSAVG: 2451600 16.1854 -43.5078 -20.9733 -45.1682 48.0529 69.4354 -19.5554 71.5071 -56.5147 TIMING: 2451600 CPU: 7303.68, 0.00300476/step Wall: 7303.68, 0.00300476/step, 2.12704 hours remaining, 206.773438 MB of memory in use. ENERGY: 2451600 720.0820 2067.5366 1978.3413 114.5037 -206607.6993 18074.2022 0.0000 0.0000 34224.7717 -149428.2618 298.8934 -183653.0334 -149335.0526 298.8347 75.3440 110.3201 556425.6038 2.4997 2.5746 PRESSURE: 2451800 -279.714 66.5 -91.511 66.4992 -103.506 -16.1817 -91.5099 -16.182 -162.146 GPRESSURE: 2451800 -296.685 27.1922 -131.318 86.8304 -41.8319 41.7119 -77.5059 -34.8969 -109.352 PRESSAVG: 2451800 21.5891 38.0998 -45.488 38.0999 -40.6141 30.2375 -45.488 30.2375 12.683 GPRESSAVG: 2451800 21.279 36.6091 -45.1077 36.9396 -40.1393 29.9402 -48.2372 31.0478 12.2851 TIMING: 2451800 CPU: 7304.28, 0.00300553/step Wall: 7304.28, 0.00300553/step, 2.12741 hours remaining, 206.773438 MB of memory in use. ENERGY: 2451800 737.5101 2081.1134 1951.3297 113.4887 -206006.1233 17534.6317 0.0000 0.0000 34081.6337 -149506.4160 297.6434 -183588.0496 -149408.5496 298.6563 -181.7886 -149.2894 557326.3698 -2.1140 -2.1917 PRESSURE: 2452000 149.744 106.537 -141.192 106.537 -25.8245 -46.8532 -141.193 -46.8516 181.053 GPRESSURE: 2452000 188.636 176.773 -206.042 40.1637 -1.78682 -61.8991 -187.843 -91.8021 215.386 PRESSAVG: 2452000 -66.8639 48.1844 0.432987 48.1845 29.1973 32.3438 0.432889 32.3439 58.9282 GPRESSAVG: 2452000 -66.1538 48.702 -0.583764 47.9003 28.8881 31.9369 0.827077 31.8665 58.7239 TIMING: 2452000 CPU: 7304.88, 0.00299772/step Wall: 7304.88, 0.00299772/step, 2.12172 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: 2452000 733.4797 2083.5602 1922.9637 122.3823 -206481.2738 18032.3466 0.0000 0.0000 34271.1375 -149315.4038 299.2984 -183586.5413 -149219.6999 298.4770 101.6575 134.0785 557193.4016 7.0872 7.1527 PRESSURE: 2452200 116.386 -40.63 -24.1457 -40.6303 -255.498 13.0051 -24.1452 13.0042 -120.634 GPRESSURE: 2452200 121.08 -63.4255 37.8182 -7.37107 -229.531 -51.6917 -120.849 -28.098 -59.454 PRESSAVG: 2452200 28.8031 -20.8549 -67.5578 -20.8549 -23.4262 54.1355 -67.5578 54.1355 -35.1667 GPRESSAVG: 2452200 29.6443 -20.3637 -67.8501 -18.1007 -24.4787 55.2475 -66.892 56.1732 -35.3139 TIMING: 2452200 CPU: 7305.48, 0.00300556/step Wall: 7305.48, 0.00300556/step, 2.1271 hours remaining, 206.773438 MB of memory in use. ENERGY: 2452200 771.8777 2074.1282 1948.6105 108.2640 -206085.4994 17724.0874 0.0000 0.0000 34143.4040 -149315.1275 298.1828 -183458.5315 -149223.5459 298.8529 -86.5818 -55.9680 557071.4266 -9.9299 -10.0494 LDB: ============= START OF LOAD BALANCING ============== 7308.91 LDB: ============== END OF LOAD BALANCING =============== 7308.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7308.92 LDB: ============= START OF LOAD BALANCING ============== 7309.21 LDB: Largest compute 4821 load 0.024857 is 21.0% of average load 0.118088 LDB: Average compute 0.001730 is 1.5% of average load 0.118088 LDB: TIME 7309.22 LOAD: AVG 0.118088 MAX 0.204672 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.48 MB LDB: TIME 7309.22 LOAD: AVG 0.118088 MAX 0.204672 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.688 MB LDB: TIME 7309.22 LOAD: AVG 0.118088 MAX 0.204672 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.688 MB LDB: ============== END OF LOAD BALANCING =============== 7309.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7309.22 PRESSURE: 2452400 109.758 -50.6758 -21.7862 -50.6747 -97.0598 -18.032 -21.787 -18.0315 16.8687 GPRESSURE: 2452400 111.121 -15.2932 10.1998 -25.6548 -9.26407 -121.993 54.6442 -14.0765 25.2147 PRESSAVG: 2452400 28.8659 8.20279 -33.0986 8.20273 -37.2509 35.2528 -33.0986 35.2529 26.3386 GPRESSAVG: 2452400 28.7342 8.48826 -30.9 6.03196 -36.5224 33.1135 -33.9899 34.7516 25.8508 TIMING: 2452400 CPU: 7306.09, 0.00304122/step Wall: 7306.09, 0.00304122/step, 2.15217 hours remaining, 206.433594 MB of memory in use. ENERGY: 2452400 735.6774 2101.9637 1954.8900 111.3694 -206211.3010 17804.6673 0.0000 0.0000 34112.1064 -149390.6269 297.9095 -183502.7334 -149303.8024 298.6937 9.8558 42.3573 557098.7152 5.9845 6.0209 PRESSURE: 2452600 57.6183 186.469 50.5527 186.469 -43.8462 -94.2841 50.5537 -94.2829 -107.384 GPRESSURE: 2452600 92.9269 263.534 72.9136 82.7312 -0.553529 -20.5695 10.1307 -73.3965 -87.088 PRESSAVG: 2452600 -0.272997 9.13142 22.4054 9.1314 13.8388 29.9424 22.4055 29.9424 44.2984 GPRESSAVG: 2452600 -0.0964774 6.9604 20.9396 10.7564 12.8965 32.2204 21.273 28.9719 45.1638 TIMING: 2452600 CPU: 7306.69, 0.00298856/step Wall: 7306.69, 0.00298856/step, 2.11474 hours remaining, 206.433594 MB of memory in use. ENERGY: 2452600 736.2813 2142.0498 1935.4581 124.7583 -206353.7290 17822.3432 0.0000 0.0000 34229.0258 -149363.8125 298.9306 -183592.8383 -149267.2465 298.8886 -31.2040 1.7618 557172.7338 19.2880 19.3213 PRESSURE: 2452800 196.149 -194.447 21.8136 -194.445 -38.7155 -69.5078 21.8147 -69.5083 -271.228 GPRESSURE: 2452800 232.413 -80.7505 53.9122 -253.643 -75.5131 -90.5376 -25.0646 -75.6511 -174.81 PRESSAVG: 2452800 -44.6304 -11.7407 -11.725 -11.7407 44.2234 23.1867 -11.725 23.1868 -22.7961 GPRESSAVG: 2452800 -45.118 -9.78991 -13.1052 -14.041 45.2171 23.3416 -9.36337 21.2189 -23.2367 TIMING: 2452800 CPU: 7307.29, 0.00299506/step Wall: 7307.29, 0.00299506/step, 2.11917 hours remaining, 206.433594 MB of memory in use. ENERGY: 2452800 725.0012 2066.0114 1950.3731 119.8303 -206085.7502 17639.3614 0.0000 0.0000 34250.3022 -149334.8707 299.1164 -183585.1728 -149237.7394 299.4507 -37.9314 -5.9700 556181.6595 -7.7344 -7.7125 PRESSURE: 2453000 -66.0871 139.941 -25.8728 139.939 88.3996 -185.437 -25.8733 -185.437 -64.8964 GPRESSURE: 2453000 -68.4936 155.114 -132.317 166.452 145.537 -111.344 -1.5514 -204.601 -18.3818 PRESSAVG: 2453000 -12.834 -8.03903 -45.7008 -8.03889 9.64025 13.7685 -45.7008 13.7686 1.25644 GPRESSAVG: 2453000 -12.6006 -8.52762 -45.5165 -9.48599 10.404 16.0015 -45.9537 15.1649 0.936898 TIMING: 2453000 CPU: 7307.89, 0.0029933/step Wall: 7307.89, 0.0029933/step, 2.11776 hours remaining, 206.433594 MB of memory in use. ENERGY: 2453000 758.1654 2062.6838 1957.9095 116.0360 -206161.8126 17820.8585 0.0000 0.0000 34225.9661 -149220.1933 298.9039 -183446.1594 -149127.5482 299.5672 -14.1946 19.5539 555528.9171 -0.6458 -0.4199 PRESSURE: 2453200 -257.871 48.339 33.1583 48.3393 -11.5035 -54.3962 33.157 -54.3957 -157.252 GPRESSURE: 2453200 -216.857 -3.73351 -66.8764 -35.5226 17.5008 -71.5315 30.3213 -35.8741 -125.806 PRESSAVG: 2453200 31.964 -20.9244 -15.151 -20.9243 37.1009 -5.63082 -15.1511 -5.63077 -53.1425 GPRESSAVG: 2453200 31.7893 -22.1417 -14.5399 -17.3462 36.8016 -10.3432 -13.9773 -1.65809 -52.7371 TIMING: 2453200 CPU: 7308.49, 0.00299627/step Wall: 7308.49, 0.00299627/step, 2.1197 hours remaining, 206.433594 MB of memory in use. ENERGY: 2453200 774.2518 2105.5609 1942.1755 133.9173 -205882.3815 17543.4469 0.0000 0.0000 34167.0514 -149215.9777 298.3894 -183383.0291 -149119.5355 299.5617 -142.2088 -108.3874 557127.8901 5.3075 5.2846 PRESSURE: 2453400 -64.6978 -4.00247 -96.8327 -4.0024 -20.8325 -8.17805 -96.8343 -8.17786 -28.8399 GPRESSURE: 2453400 -35.9075 -27.4229 -121.788 -34.2581 -36.1254 17.7451 -140.672 -64.1822 46.8698 PRESSAVG: 2453400 55.2826 19.6321 -19.3267 19.6322 -17.4242 92.9346 -19.3267 92.9345 -28.1419 GPRESSAVG: 2453400 54.7733 20.5163 -21.0168 17.7267 -17.1994 95.7358 -19.762 89.4989 -27.6743 TIMING: 2453400 CPU: 7309.09, 0.0029953/step Wall: 7309.09, 0.0029953/step, 2.11884 hours remaining, 206.433594 MB of memory in use. ENERGY: 2453400 756.5938 2083.2717 1962.1378 118.3258 -206095.0123 17688.2127 0.0000 0.0000 34174.7677 -149311.7029 298.4567 -183486.4706 -149210.9833 299.1313 -38.1234 -8.3877 558517.3868 3.2388 3.2999 PRESSURE: 2453600 -99.9546 50.4126 -126.987 50.4133 -89.0714 -94.9027 -126.988 -94.9055 17.4223 GPRESSURE: 2453600 -78.8479 150.175 -164.206 66.9278 -14.7265 -93.2209 -42.4816 -80.028 21.7077 PRESSAVG: 2453600 -4.14706 -46.6664 -72.0149 -46.6663 59.9389 5.45793 -72.0148 5.45798 -100.635 GPRESSAVG: 2453600 -3.54002 -46.3374 -71.3942 -44.9426 59.2756 5.27689 -72.121 6.21776 -100.677 TIMING: 2453600 CPU: 7309.69, 0.0029939/step Wall: 7309.69, 0.0029939/step, 2.11769 hours remaining, 206.433594 MB of memory in use. ENERGY: 2453600 769.5970 2088.6357 1922.6356 115.7588 -206150.7277 17734.3365 0.0000 0.0000 34411.8540 -149107.9100 300.5273 -183519.7640 -149009.7981 299.4452 -57.2012 -23.9556 557210.6614 -14.9477 -14.9805 PRESSURE: 2453800 12.8079 20.381 -63.3134 20.3816 -173.301 32.1356 -63.3136 32.1353 123.138 GPRESSURE: 2453800 47.1034 -10.0359 -59.3167 8.10492 -185.759 -26.4995 -57.8183 36.3424 198.835 PRESSAVG: 2453800 -43.3585 -34.4528 -10.9368 -34.4529 -24.51 50.1023 -10.9368 50.1023 82.19 GPRESSAVG: 2453800 -42.2868 -36.0117 -11.2828 -35.5515 -25.1846 48.5377 -10.3776 51.1628 81.6282 TIMING: 2453800 CPU: 7310.28, 0.0029866/step Wall: 7310.28, 0.0029866/step, 2.11236 hours remaining, 206.433594 MB of memory in use. ENERGY: 2453800 729.7257 2146.1954 1942.5304 110.7719 -205956.9069 17719.2727 0.0000 0.0000 34281.4047 -149027.0061 299.3880 -183308.4109 -148920.5826 299.7348 -12.4516 20.0597 557859.3133 4.7738 4.7189 PRESSURE: 2454000 61.3356 -22.4025 -63.8436 -22.4026 94.9372 -273.765 -63.8447 -273.764 124.965 GPRESSURE: 2454000 96.0442 -31.5425 -52.9806 -51.8699 114.29 -191.573 -37.2327 -274.539 176.942 PRESSAVG: 2454000 -20.496 26.254 -14.223 26.2541 -23.9044 4.84986 -14.223 4.84982 7.38787 GPRESSAVG: 2454000 -21.1811 25.4562 -13.4756 26.3256 -22.4318 7.03479 -13.9363 2.8655 6.20704 TIMING: 2454000 CPU: 7310.87, 0.00296232/step Wall: 7310.87, 0.00296232/step, 2.09502 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: 2454000 736.9297 2126.7500 1955.5203 115.3583 -206135.5509 17923.4171 0.0000 0.0000 34405.8451 -148871.7304 300.4748 -183277.5754 -148774.8900 300.4427 93.7458 129.0923 557664.4117 -12.3375 -12.4686 PRESSURE: 2454200 -274.966 -39.9058 -196.005 -39.9078 -281.511 58.0415 -196.005 58.0431 -47.0439 GPRESSURE: 2454200 -247.138 -73.5086 -162.987 4.37066 -254.027 -41.1261 -305.884 2.30968 -13.9685 PRESSAVG: 2454200 -19.8812 18.1716 -43.0705 18.1716 36.6207 -38.3458 -43.0705 -38.3457 2.11505 GPRESSAVG: 2454200 -19.9969 18.353 -43.745 20.3327 35.6614 -39.3394 -42.4468 -38.042 2.91005 TIMING: 2454200 CPU: 7311.47, 0.00296553/step Wall: 7311.47, 0.00296553/step, 2.09713 hours remaining, 206.433594 MB of memory in use. ENERGY: 2454200 779.8922 2090.4242 1932.5561 110.0550 -205748.9698 17566.5496 0.0000 0.0000 34411.7201 -148857.7727 300.5261 -183269.4928 -148769.6233 300.5691 -201.1735 -171.7112 559598.1497 6.2848 6.1915 PRESSURE: 2454400 -15.1984 -84.6443 90.9462 -84.6454 128.467 21.2686 90.9458 21.2698 -39.7209 GPRESSURE: 2454400 45.1456 -48.7156 85.1566 -110.86 149.234 23.6016 117.573 64.0661 -15.7673 PRESSAVG: 2454400 -61.6499 -8.19638 -17.9881 -8.19636 2.74034 0.0800906 -17.9881 0.0800886 44.052 GPRESSAVG: 2454400 -62.1783 -7.79249 -17.4415 -12.1745 2.31011 0.043358 -18.0424 1.50862 45.4001 TIMING: 2454400 CPU: 7312.07, 0.00300067/step Wall: 7312.07, 0.00300067/step, 2.12181 hours remaining, 206.433594 MB of memory in use. ENERGY: 2454400 748.0500 2124.7144 1950.6154 112.9464 -206092.1444 17879.4776 0.0000 0.0000 34455.4636 -148820.8769 300.9081 -183276.3405 -148719.2870 300.3240 24.5159 59.5376 558317.1003 -4.9525 -4.8227 PRESSURE: 2454600 -70.5766 174.748 -54.9332 174.749 -115.263 65.1689 -54.9335 65.1681 -66.11 GPRESSURE: 2454600 -94.2069 184.318 -65.8162 145.18 -34.1914 56.6216 -85.8337 57.3807 -23.7502 PRESSAVG: 2454600 -36.095 29.1922 6.25775 29.1922 0.11727 -22.5937 6.25779 -22.5937 -12.4223 GPRESSAVG: 2454600 -37.2857 29.005 5.822 31.3599 1.5263 -22.202 4.78311 -23.5966 -11.9792 TIMING: 2454600 CPU: 7312.67, 0.00299563/step Wall: 7312.67, 0.00299563/step, 2.11808 hours remaining, 206.433594 MB of memory in use. ENERGY: 2454600 769.7913 2089.1833 1966.4985 110.0397 -205913.1797 17636.7111 0.0000 0.0000 34389.2861 -148951.6698 300.3302 -183340.9559 -148852.7607 300.4855 -83.9831 -50.7162 557192.1487 -16.1333 -15.9129 PRESSURE: 2454800 -279.691 -239.689 181.011 -239.689 -108.884 107.546 181.011 107.546 -75.8913 GPRESSURE: 2454800 -226.112 -200.209 237.056 -246.796 -107.655 99.1495 201.208 120.035 -41.1603 PRESSAVG: 2454800 2.7945 -33.8036 24.1769 -33.8036 -50.0324 22.9554 24.177 22.9553 44.9173 GPRESSAVG: 2454800 4.5894 -35.5665 22.5436 -32.6897 -51.4244 24.1309 25.3529 22.0213 44.5963 TIMING: 2454800 CPU: 7313.26, 0.0029863/step Wall: 7313.26, 0.0029863/step, 2.11132 hours remaining, 206.433594 MB of memory in use. ENERGY: 2454800 741.1759 2108.0781 1961.5031 115.8693 -205970.3633 17574.0828 0.0000 0.0000 34450.3354 -149019.3186 300.8633 -183469.6540 -148921.8494 300.4555 -154.8221 -124.9760 557522.1281 -0.7735 -0.7462 PRESSURE: 2455000 -48.5884 52.0752 69.9361 52.0765 -113.279 15.0649 69.9366 15.0642 -13.6101 GPRESSURE: 2455000 -43.133 26.2788 -23.1897 133.218 -122.65 118.38 125.422 21.7215 70.8279 PRESSAVG: 2455000 -4.51263 -54.4179 4.51169 -54.4179 6.80003 25.7459 4.51175 25.7459 6.15939 GPRESSAVG: 2455000 -5.46116 -54.2222 6.34916 -55.5809 8.01445 24.9288 3.43974 26.4207 5.57552 TIMING: 2455000 CPU: 7313.86, 0.00297899/step Wall: 7313.86, 0.00297899/step, 2.10598 hours remaining, 206.433594 MB of memory in use. ENERGY: 2455000 743.2169 2154.4597 1952.7367 116.2426 -205900.4842 17614.1694 0.0000 0.0000 34326.4696 -148993.1892 299.7816 -183319.6588 -148896.5974 299.6339 -58.4925 -31.6516 556993.7575 2.8156 2.7096 PRESSURE: 2455200 85.1699 -50.2018 38.999 -50.2011 -42.4308 82.8418 38.9996 82.8437 331.459 GPRESSURE: 2455200 127.743 -75.2 74.6749 -35.8174 -24.3157 -39.4592 22.3614 144.664 357.617 PRESSAVG: 2455200 8.70563 4.06105 -28.5143 4.0611 -27.3022 -13.9472 -28.5144 -13.9472 27.9378 GPRESSAVG: 2455200 8.72483 4.95159 -29.1125 3.97451 -28.1438 -16.6777 -26.9666 -13.3149 28.8442 TIMING: 2455200 CPU: 7314.45, 0.00296353/step Wall: 7314.45, 0.00296353/step, 2.09488 hours remaining, 206.433594 MB of memory in use. ENERGY: 2455200 702.5224 2132.5812 1947.1938 105.9334 -205905.5837 17722.9031 0.0000 0.0000 34343.8696 -148950.5802 299.9336 -183294.4498 -148855.4623 299.7782 124.7327 153.6815 556833.0800 3.1138 3.1417 PRESSURE: 2455400 -427.173 25.9543 130.444 25.9552 -65.3678 -34.8274 130.444 -34.8261 -23.8408 GPRESSURE: 2455400 -292.658 27.2621 50.2034 -19.7953 -111.183 -20.616 131.696 -73.613 -6.14634 PRESSAVG: 2455400 -4.59575 27.7183 -61.8012 27.7183 4.51764 29.4922 -61.8011 29.4922 33.6446 GPRESSAVG: 2455400 -3.98366 29.6636 -62.9456 26.8054 3.71192 30.1776 -60.7471 29.657 33.8101 TIMING: 2455400 CPU: 7315.06, 0.00302194/step Wall: 7315.06, 0.00302194/step, 2.13601 hours remaining, 206.433594 MB of memory in use. ENERGY: 2455400 745.7047 2077.1760 1941.4192 124.1315 -205973.3106 17638.2324 0.0000 0.0000 34402.9633 -149043.6835 300.4496 -183446.6467 -148944.1799 299.8678 -172.1271 -136.6626 558517.9121 11.1888 11.1794 PRESSURE: 2455600 -323.935 -2.03757 -28.9588 -2.0369 -17.8999 275.784 -28.9592 275.786 -356.846 GPRESSURE: 2455600 -322.035 2.72192 -62.9847 -18.4317 45.2233 264.406 3.17043 349.043 -327.398 PRESSAVG: 2455600 -23.4776 -22.3603 -22.4354 -22.3604 64.5952 30.746 -22.4354 30.746 -16.8696 GPRESSAVG: 2455600 -23.8155 -23.3011 -20.927 -22.9244 65.5572 29.3264 -24.3914 32.5942 -17.4653 TIMING: 2455600 CPU: 7315.66, 0.00301332/step Wall: 7315.66, 0.00301332/step, 2.12975 hours remaining, 206.433594 MB of memory in use. ENERGY: 2455600 736.6177 2103.7245 1973.5607 109.1471 -205776.9441 17466.2803 0.0000 0.0000 34377.2041 -149010.4097 300.2247 -183387.6138 -148914.8782 299.7225 -232.8936 -201.4034 558424.4167 8.0827 8.0921 PRESSURE: 2455800 -289.321 56.0457 114.738 56.0457 -158.884 110.454 114.738 110.454 144.915 GPRESSURE: 2455800 -256.839 43.2622 66.4454 85.3027 -93.2492 76.4493 105.099 32.0048 143.295 PRESSAVG: 2455800 -37.8625 -8.89332 12.3077 -8.89325 3.6935 61.7102 12.3075 61.7101 52.4466 GPRESSAVG: 2455800 -37.0743 -9.66517 12.4463 -7.61777 3.6979 61.1926 11.3926 59.5842 51.9072 TIMING: 2455800 CPU: 7316.26, 0.00299338/step Wall: 7316.26, 0.00299338/step, 2.11549 hours remaining, 206.433594 MB of memory in use. ENERGY: 2455800 740.6919 2087.7826 1980.4163 115.6002 -205912.7209 17541.8261 0.0000 0.0000 34387.5076 -149058.8961 300.3147 -183446.4037 -148961.5025 299.5451 -101.0969 -68.9311 557361.6475 6.0925 6.1769 PRESSURE: 2456000 -337.675 136.524 14.7063 136.524 -275.132 114.94 14.7074 114.94 -25.0327 GPRESSURE: 2456000 -240.297 120.71 25.1698 79.5471 -267.373 11.1624 -47.3203 150.689 -38.1144 PRESSAVG: 2456000 -93.4018 12.4593 -17.8951 12.4593 75.4202 21.0217 -17.8952 21.0217 12.0112 GPRESSAVG: 2456000 -93.7737 9.63018 -19.0321 13.3691 75.5057 23.3422 -17.0281 21.3403 12.2188 TIMING: 2456000 CPU: 7316.86, 0.00299382/step Wall: 7316.86, 0.00299382/step, 2.11563 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: 2456000 762.8455 2163.3002 1965.0127 114.1836 -205630.3768 17517.9170 0.0000 0.0000 34223.5426 -148883.5751 298.8827 -183107.1177 -148798.8982 299.4958 -212.6130 -181.9279 558954.5338 -1.9902 -2.0164 PRESSURE: 2456200 -205.334 40.4047 -168.968 40.4051 60.1002 -86.9 -168.968 -86.9001 -382.566 GPRESSURE: 2456200 -251.926 -21.5555 -154.817 127.61 113.638 -130.496 -127.936 -38.1294 -292.951 PRESSAVG: 2456200 -21.808 48.9481 -74.8552 48.9482 61.6501 26.9057 -74.8552 26.9057 -42.6537 GPRESSAVG: 2456200 -22.2868 51.1327 -73.355 46.3596 62.0468 26.2364 -75.4454 26.981 -41.6874 TIMING: 2456200 CPU: 7317.46, 0.00300016/step Wall: 7317.46, 0.00300016/step, 2.11995 hours remaining, 206.433594 MB of memory in use. ENERGY: 2456200 731.5351 2122.2909 1961.6057 109.2542 -205660.9034 17484.3579 0.0000 0.0000 34352.9858 -148898.8739 300.0132 -183251.8597 -148806.8366 299.5542 -175.9334 -143.7462 558964.3562 -0.9372 -0.6425 LDB: ============= START OF LOAD BALANCING ============== 7320.89 LDB: ============== END OF LOAD BALANCING =============== 7320.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7320.89 LDB: ============= START OF LOAD BALANCING ============== 7321.19 LDB: Largest compute 4821 load 0.024361 is 20.6% of average load 0.118009 LDB: Average compute 0.001728 is 1.5% of average load 0.118009 LDB: TIME 7321.2 LOAD: AVG 0.118009 MAX 0.205205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.461 MB LDB: TIME 7321.2 LOAD: AVG 0.118009 MAX 0.205205 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.668 MB LDB: TIME 7321.2 LOAD: AVG 0.118009 MAX 0.205205 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7321.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 7321.2 PRESSURE: 2456400 68.4216 -14.3662 220.667 -14.3666 -172.523 8.32599 220.667 8.32528 -237.574 GPRESSURE: 2456400 70.5335 -89.4854 191.749 67.9628 -167.219 2.40228 245.028 95.4662 -154.373 PRESSAVG: 2456400 33.8362 14.0599 -24.1734 14.0599 -30.3248 38.8789 -24.1734 38.8789 27.466 GPRESSAVG: 2456400 34.1203 12.9319 -24.5046 14.983 -31.0988 40.8045 -23.6667 36.3439 27.9595 TIMING: 2456400 CPU: 7318.07, 0.00307676/step Wall: 7318.07, 0.00307676/step, 2.1739 hours remaining, 205.210938 MB of memory in use. ENERGY: 2456400 760.5562 2119.1464 1943.5202 129.1723 -205875.4899 17534.9660 0.0000 0.0000 34275.9282 -149112.2006 299.3402 -183388.1288 -149012.3682 300.0046 -113.8917 -83.6863 558041.8960 10.3258 10.3270 Info: useSync: 0 useProxySync: 0 PRESSURE: 2456600 -37.1298 76.4171 144.821 76.417 -43.1096 25.7842 144.82 25.7837 -92.6152 GPRESSURE: 2456600 73.167 120.515 138.613 57.2395 -65.1942 50.6669 71.0925 17.0413 -93.7345 PRESSAVG: 2456600 -59.8705 -7.17485 0.379398 -7.17491 53.2395 2.33009 0.379373 2.33001 -22.5164 GPRESSAVG: 2456600 -60.4747 -4.54555 0.165368 -8.35566 54.7019 -0.0941426 -0.806845 4.70343 -23.2847 TIMING: 2456600 CPU: 7318.67, 0.00298888/step Wall: 7318.67, 0.00298888/step, 2.11165 hours remaining, 205.210938 MB of memory in use. ENERGY: 2456600 774.5278 2159.1041 1945.8949 108.1615 -206131.0899 17844.8111 0.0000 0.0000 34285.6953 -149012.8953 299.4255 -183298.5906 -148917.3822 299.6921 -57.6182 -28.5872 558254.9473 -9.7158 -9.6858 PRESSURE: 2456800 97.5581 85.5091 -89.4257 85.5104 -108.851 10.5114 -89.4257 10.5105 211.208 GPRESSURE: 2456800 137.116 102.933 -114.101 29.0089 -46.5584 -47.6614 -56.4449 6.11718 205.009 PRESSAVG: 2456800 -31.6129 19.7801 49.4321 19.7802 -48.2213 4.75254 49.4321 4.75252 100.879 GPRESSAVG: 2456800 -32.3217 19.1353 47.9617 20.8339 -47.6584 5.3578 52.6722 4.82326 100.971 TIMING: 2456800 CPU: 7319.27, 0.00297412/step Wall: 7319.27, 0.00297412/step, 2.10105 hours remaining, 205.210938 MB of memory in use. ENERGY: 2456800 719.5717 2053.0624 1943.4191 111.9213 -205972.6674 17774.5765 0.0000 0.0000 34404.8504 -148965.2660 300.4661 -183370.1163 -148869.0905 299.8348 66.6383 98.5219 557718.6437 7.0149 6.9970 PRESSURE: 2457000 -192.65 85.4527 57.3012 85.4533 -403.555 45.9452 57.3007 45.9442 -161.482 GPRESSURE: 2457000 -187.491 87.7196 136.009 65.1758 -365.969 21.9305 14.5631 99.2153 -105.28 PRESSAVG: 2457000 -40.3093 -32.9548 31.3092 -32.9547 5.51726 18.7948 31.3092 18.7948 50.0906 GPRESSAVG: 2457000 -39.5064 -33.8668 31.6711 -32.0321 4.54303 18.2929 30.8439 20.0524 49.6434 TIMING: 2457000 CPU: 7319.86, 0.00299441/step Wall: 7319.86, 0.00299441/step, 2.11522 hours remaining, 205.210938 MB of memory in use. ENERGY: 2457000 751.9685 2085.3282 1971.3577 102.1670 -205618.1136 17316.8675 0.0000 0.0000 34514.0987 -148876.3260 301.4202 -183390.4247 -148774.5707 300.5553 -252.5623 -219.5799 557729.8290 5.0995 4.8933 PRESSURE: 2457200 184.65 214.906 101.445 214.906 377.715 -147.407 101.447 -147.405 -57.2704 GPRESSURE: 2457200 237.266 230.174 121.373 197.802 402.116 -123.598 122.164 -108.213 -31.1694 PRESSAVG: 2457200 8.39811 5.16785 54.5854 5.16778 -5.74479 9.82385 54.5854 9.82394 30.2059 GPRESSAVG: 2457200 7.35799 3.62333 56.3395 3.56625 -5.2821 8.92406 53.6832 7.89157 30.6287 TIMING: 2457200 CPU: 7320.46, 0.00298922/step Wall: 7320.46, 0.00298922/step, 2.11138 hours remaining, 205.210938 MB of memory in use. ENERGY: 2457200 746.3669 2054.6587 1947.3827 113.9900 -206170.3031 18004.7143 0.0000 0.0000 34417.2050 -148885.9855 300.5740 -183303.1905 -148788.4417 300.2264 168.3647 202.7376 556211.4531 10.9531 10.9015 PRESSURE: 2457400 259.483 -63.0902 -36.3827 -63.0904 3.23542 26.4105 -36.3818 26.4097 -123.687 GPRESSURE: 2457400 254.188 26.4513 23.3629 -153.113 79.5252 -26.2174 -74.0204 57.7825 -119.975 PRESSAVG: 2457400 -3.82709 8.02609 35.35 8.02616 67.2823 2.07946 35.3501 2.07941 -46.3584 GPRESSAVG: 2457400 -2.80141 9.43109 36.2985 7.72121 67.2537 1.9931 34.6627 2.78924 -47.5882 TIMING: 2457400 CPU: 7321.06, 0.00298311/step Wall: 7321.06, 0.00298311/step, 2.1069 hours remaining, 205.210938 MB of memory in use. ENERGY: 2457400 725.6727 2032.0129 1935.5679 118.0546 -206008.2360 17812.6232 0.0000 0.0000 34290.9080 -149093.3966 299.4710 -183384.3047 -148995.8750 299.4259 46.3435 71.2460 556660.2723 5.6989 5.6214 PRESSURE: 2457600 -66.8316 -57.1317 -140.513 -57.1312 163.042 -93.9664 -140.513 -93.9652 -328.935 GPRESSURE: 2457600 -89.072 -50.2307 -114.859 -88.8213 182.707 -54.4091 -84.568 -69.4392 -231.816 PRESSAVG: 2457600 9.30852 19.7026 32.2262 19.7026 23.424 -40.9974 32.2262 -40.9975 -62.8508 GPRESSAVG: 2457600 9.2468 21.006 32.8443 18.6917 22.327 -41.2068 32.3587 -41.3743 -62.2946 TIMING: 2457600 CPU: 7321.65, 0.00297177/step Wall: 7321.65, 0.00297177/step, 2.09873 hours remaining, 205.210938 MB of memory in use. ENERGY: 2457600 716.9192 2017.5718 1956.5417 110.4522 -205904.3235 17536.2350 0.0000 0.0000 34505.8618 -149060.7417 301.3483 -183566.6035 -148960.1951 299.6815 -77.5748 -46.0604 556508.8950 -10.0394 -10.2402 PRESSURE: 2457800 -96.9527 -185.608 -104.104 -185.607 -257.942 28.3746 -104.103 28.3756 -179.19 GPRESSURE: 2457800 -119.998 -171.417 -119.455 -191.618 -228.304 42.3566 -117.969 47.4195 -81.3258 PRESSAVG: 2457800 -45.3153 -31.1438 -30.5309 -31.1438 23.9356 -48.5498 -30.5309 -48.5497 27.1466 GPRESSAVG: 2457800 -45.1912 -32.5611 -33.2609 -29.6402 24.3562 -45.9979 -30.3226 -50.132 26.5985 TIMING: 2457800 CPU: 7322.25, 0.00297898/step Wall: 7322.25, 0.00297898/step, 2.10365 hours remaining, 205.210938 MB of memory in use. ENERGY: 2457800 740.6536 2057.8396 1960.7599 109.3787 -205833.1498 17515.0887 0.0000 0.0000 34323.9069 -149125.5224 299.7592 -183449.4294 -149029.0444 299.1998 -178.0282 -143.2091 559100.4785 1.9223 1.9212 PRESSURE: 2458000 -52.8821 50.3438 -4.32966 50.3439 51.833 -121.996 -4.32977 -121.998 57.3866 GPRESSURE: 2458000 28.2618 73.778 -81.6904 63.2878 51.3264 -153.589 21.3142 -153.765 65.0846 PRESSAVG: 2458000 22.4176 -40.4176 15.7564 -40.4175 -2.37402 14.7178 15.7563 14.7178 -4.81671 GPRESSAVG: 2458000 23.7083 -39.5087 17.2445 -40.6138 -3.36959 12.9493 14.5067 17.0819 -4.95492 TIMING: 2458000 CPU: 7322.84, 0.00295166/step Wall: 7322.84, 0.00295166/step, 2.0842 hours remaining, 205.210938 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: 2458000 763.0675 2097.1540 1982.4206 104.1624 -206084.3850 17790.5629 0.0000 0.0000 34193.4133 -149153.6043 298.6196 -183347.0176 -149067.6116 299.7778 18.7791 48.2243 557523.0428 5.0756 5.1279 PRESSURE: 2458200 -191.138 -33.9711 249.872 -33.9698 131.08 36.5877 249.873 36.5871 -31.0393 GPRESSURE: 2458200 -180.515 51.4283 185.978 -109.392 122.539 -20.3366 236.655 56.4093 55.186 PRESSAVG: 2458200 -4.37976 -6.03037 39.6871 -6.03032 -21.5813 10.3925 39.687 10.3925 12.2883 GPRESSAVG: 2458200 -5.36774 -6.54862 39.3952 -4.13277 -22.3302 9.92165 40.5088 8.41686 14.2682 TIMING: 2458200 CPU: 7323.43, 0.00295274/step Wall: 7323.43, 0.00295274/step, 2.0848 hours remaining, 205.210938 MB of memory in use. ENERGY: 2458200 732.2073 2091.2847 1978.0800 108.1667 -205768.3049 17710.9392 0.0000 0.0000 33941.6075 -149206.0195 296.4205 -183147.6270 -149112.9981 298.6796 -30.3658 -0.9299 558747.6524 -4.5576 -4.4766 PRESSURE: 2458400 169.567 112.015 -151.92 112.014 141.293 32.9124 -151.92 32.9128 15.4845 GPRESSURE: 2458400 209.417 114.762 -89.9256 44.0431 195.739 64.2442 -115.966 36.0651 25.0834 PRESSAVG: 2458400 -28.1457 -18.3782 14.9271 -18.3782 67.9189 2.90172 14.9271 2.90167 -8.16846 GPRESSAVG: 2458400 -28.0694 -20.9018 14.7972 -19.5326 69.7437 3.81741 16.8349 4.00626 -9.29977 TIMING: 2458400 CPU: 7324.02, 0.00295872/step Wall: 7324.02, 0.00295872/step, 2.08886 hours remaining, 205.210938 MB of memory in use. ENERGY: 2458400 740.9814 2071.5638 1941.3397 126.0594 -206262.6907 18041.8568 0.0000 0.0000 34122.9415 -149217.9481 298.0041 -183340.8896 -149116.5689 299.0289 108.7816 143.4129 557546.5513 10.5349 10.7915 PRESSURE: 2458600 239.615 -36.1474 -5.97019 -36.1482 -118.894 73.5038 -5.97166 73.5043 86.3543 GPRESSURE: 2458600 295.697 -33.272 -43.2425 -37.8958 -50.2889 66.3373 109.275 -4.09312 54.0914 PRESSAVG: 2458600 -52.2864 -6.14594 67.7906 -6.14594 81.5407 18.4085 67.7906 18.4085 -8.67001 GPRESSAVG: 2458600 -52.1696 -4.18545 66.4935 -6.2209 80.4092 17.1042 69.181 20.2482 -8.28195 TIMING: 2458600 CPU: 7324.62, 0.00296986/step Wall: 7324.62, 0.00296986/step, 2.09656 hours remaining, 205.210938 MB of memory in use. ENERGY: 2458600 722.7141 2056.5750 1967.4467 134.4461 -206137.7196 17835.6240 0.0000 0.0000 34349.9549 -149070.9587 299.9867 -183420.9136 -148980.0630 299.0614 69.0250 99.8332 557651.9290 6.8614 6.6526 PRESSURE: 2458800 -62.3303 108.21 160.222 108.209 -98.1547 128.027 160.221 128.027 -18.969 GPRESSURE: 2458800 -109.123 144.116 139.274 70.3418 -0.576158 171.457 203.73 116.855 29.5201 PRESSAVG: 2458800 -56.1148 5.48569 78.796 5.48564 89.73 -3.83731 78.796 -3.83723 -12.3817 GPRESSAVG: 2458800 -57.3535 6.20079 78.7067 5.60273 90.2467 -1.4209 78.765 -5.8162 -11.708 TIMING: 2458800 CPU: 7325.21, 0.00298115/step Wall: 7325.21, 0.00298115/step, 2.10436 hours remaining, 205.210938 MB of memory in use. ENERGY: 2458800 745.3014 2087.3425 1925.7781 117.1898 -205877.2282 17549.8146 0.0000 0.0000 34341.5048 -149110.2970 299.9129 -183451.8017 -149016.5795 299.7086 -59.8180 -26.7263 556372.2409 7.0778 7.0618 PRESSURE: 2459000 -56.8534 48.3155 213.719 48.3152 240.881 55.5462 213.718 55.5481 149.541 GPRESSURE: 2459000 -27.9223 62.7884 168.571 -36.9176 241.857 28.5664 144.787 16.335 214.062 PRESSAVG: 2459000 -47.1613 10.0405 68.4416 10.0405 17.8733 21.1563 68.4416 21.1563 -20.1619 GPRESSAVG: 2459000 -47.32 9.43978 70.6381 9.05801 16.7427 19.7682 65.2916 20.8149 -19.2752 TIMING: 2459000 CPU: 7325.81, 0.00298231/step Wall: 7325.81, 0.00298231/step, 2.10502 hours remaining, 205.210938 MB of memory in use. ENERGY: 2459000 734.7696 2108.1836 1974.7381 108.3794 -206439.2239 17930.0846 0.0000 0.0000 34490.0771 -149092.9915 301.2104 -183583.0686 -148999.6407 299.9514 111.1896 142.6655 556425.8409 -16.4833 -16.6175 PRESSURE: 2459200 116.486 -19.1882 37.4914 -19.1878 -35.7875 -70.6383 37.4923 -70.6386 -240.164 GPRESSURE: 2459200 202.914 -102.38 76.5085 -15.7 -50.6426 -159.408 -52.4513 -121.33 -220.766 PRESSAVG: 2459200 -40.5024 15.7529 40.1417 15.7529 69.9406 -3.66127 40.1416 -3.66144 -46.5139 GPRESSAVG: 2459200 -38.6113 16.2024 38.8344 16.2683 70.9675 -3.59505 40.8733 -3.04596 -49.5072 TIMING: 2459200 CPU: 7326.41, 0.00300046/step Wall: 7326.41, 0.00300046/step, 2.11766 hours remaining, 205.210938 MB of memory in use. ENERGY: 2459200 722.9916 2076.3351 1953.7406 113.8052 -206029.3053 17630.8680 0.0000 0.0000 34349.5256 -149182.0391 299.9830 -183531.5647 -149094.6732 299.3472 -53.1554 -22.8314 557964.6712 -5.6919 -5.7170 PRESSURE: 2459400 -190.442 -3.42859 -114.531 -3.42804 -19.6925 257.895 -114.531 257.894 -300.734 GPRESSURE: 2459400 -95.5965 -12.1264 -116.278 26.0691 -28.9637 272.796 -175.379 216.663 -288.873 PRESSAVG: 2459400 26.9484 18.5262 16.6456 18.5263 27.9269 21.1669 16.6455 21.1669 -73.1531 GPRESSAVG: 2459400 25.5222 17.8779 17.9772 18.3413 27.9931 22.4099 15.9604 20.9233 -71.5842 TIMING: 2459400 CPU: 7327.01, 0.00300041/step Wall: 7327.01, 0.00300041/step, 2.11746 hours remaining, 205.210938 MB of memory in use. ENERGY: 2459400 725.8254 2107.4037 1979.3594 122.6270 -205931.1875 17516.0668 0.0000 0.0000 34212.4861 -149267.4191 298.7862 -183479.9052 -149173.3771 299.0269 -170.2895 -137.8111 558131.5151 -6.0926 -6.0230 PRESSURE: 2459600 -149.875 96.7565 -72.8374 96.7557 -98.1948 194.911 -72.8372 194.909 -122.806 GPRESSURE: 2459600 -90.9018 201.931 -133.001 -38.0856 -71.4555 197.5 33.1216 215.296 -98.9033 PRESSAVG: 2459600 8.31205 -2.35187 -2.6826 -2.35194 58.8985 37.2458 -2.68262 37.2457 -14.1726 GPRESSAVG: 2459600 8.56796 -3.27747 -6.99729 -0.91149 58.428 37.5197 0.378794 36.1074 -14.0434 TIMING: 2459600 CPU: 7327.61, 0.00298988/step Wall: 7327.61, 0.00298988/step, 2.10986 hours remaining, 205.210938 MB of memory in use. ENERGY: 2459600 756.6645 2084.6767 1952.0134 110.6728 -205956.4532 17589.7320 0.0000 0.0000 34179.2860 -149283.4078 298.4962 -183462.6938 -149182.1090 298.0850 -123.6253 -87.0869 557988.5081 17.6793 17.6508 PRESSURE: 2459800 122.206 -83.546 247.111 -83.5455 -68.229 115.644 247.111 115.644 -175.832 GPRESSURE: 2459800 114.481 -36.1273 322.152 -74.8667 -16.4168 126.632 174.38 134.383 -130.476 PRESSAVG: 2459800 -39.113 53.679 -43.5768 53.6789 30.6631 -5.69282 -43.5768 -5.69274 1.82727 GPRESSAVG: 2459800 -39.3558 56.1882 -40.9041 53.0123 31.0618 -7.92972 -45.0529 -4.78267 1.70805 TIMING: 2459800 CPU: 7328.2, 0.00298892/step Wall: 7328.2, 0.00298892/step, 2.10902 hours remaining, 205.210938 MB of memory in use. ENERGY: 2459800 765.6070 2080.2830 1929.5552 109.1195 -205882.2760 17594.7681 0.0000 0.0000 34219.5665 -149183.3766 298.8480 -183402.9431 -149091.7870 299.1829 -40.6183 -10.8040 557697.1468 -2.2075 -2.1953 PRESSURE: 2460000 86.0614 -49.8683 -191.266 -49.8691 -138.344 -64.7168 -191.266 -64.7149 237.959 GPRESSURE: 2460000 95.4641 -104.079 -98.7522 -22.7117 -96.2756 7.87922 -127.688 -83.8286 285.978 PRESSAVG: 2460000 -46.1529 14.5056 10.6166 14.5056 23.9267 -2.791 10.6166 -2.79104 -30.4242 GPRESSAVG: 2460000 -46.2625 13.5153 9.35079 14.5229 25.0483 -1.56912 9.10519 -3.329 -31.6669 TIMING: 2460000 CPU: 7328.8, 0.00299601/step Wall: 7328.8, 0.00299601/step, 2.11385 hours remaining, 205.210938 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: 2460000 761.6247 2041.9586 1943.8054 111.1378 -206219.9118 17980.6410 0.0000 0.0000 34121.4565 -149259.2876 297.9912 -183380.7441 -149161.1358 298.6145 61.8923 95.0556 557648.0049 -17.5501 -17.6270 PRESSURE: 2460200 83.6266 -28.7899 193.895 -28.7907 39.5194 -5.16197 193.895 -5.16151 86.7423 GPRESSURE: 2460200 152.232 33.7451 154.618 -33.6871 59.7335 15.4538 221.206 20.4869 110.141 PRESSAVG: 2460200 5.17711 -22.4329 -1.51198 -22.4328 -14.3332 -13.7097 -1.51197 -13.7097 20.9215 GPRESSAVG: 2460200 5.51599 -21.9123 -0.987063 -22.2516 -16.005 -14.4747 -0.921995 -11.9062 21.9206 TIMING: 2460200 CPU: 7329.4, 0.00299194/step Wall: 7329.4, 0.00299194/step, 2.11081 hours remaining, 205.210938 MB of memory in use. ENERGY: 2460200 740.9471 2075.3454 1963.9580 112.1256 -206604.4506 17976.2000 0.0000 0.0000 34544.2312 -149191.6433 301.6834 -183735.8745 -149095.3176 299.1964 69.9627 107.3689 555586.1590 3.9218 3.8105 LDB: ============= START OF LOAD BALANCING ============== 7332.83 LDB: ============== END OF LOAD BALANCING =============== 7332.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7332.83 LDB: ============= START OF LOAD BALANCING ============== 7333.14 LDB: Largest compute 4821 load 0.026677 is 22.6% of average load 0.118038 LDB: Average compute 0.001727 is 1.5% of average load 0.118038 LDB: TIME 7333.14 LOAD: AVG 0.118038 MAX 0.203832 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.02 MB LDB: TIME 7333.14 LOAD: AVG 0.118038 MAX 0.203832 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.02 MB LDB: TIME 7333.14 LOAD: AVG 0.118038 MAX 0.203832 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.02 MB LDB: ============== END OF LOAD BALANCING =============== 7333.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7333.15 PRESSURE: 2460400 -13.6874 128.937 -119.86 128.938 -112.273 -62.3041 -119.86 -62.3063 -93.3691 GPRESSURE: 2460400 2.41292 150.309 -64.3345 66.5088 -107.993 -82.8542 -56.2952 -143.1 -19.5915 PRESSAVG: 2460400 -34.9716 4.20166 1.97451 4.20174 22.0548 3.47234 1.97452 3.47236 36.7492 GPRESSAVG: 2460400 -33.0616 3.87957 1.76206 5.29965 21.9852 4.17199 2.72962 0.158305 35.5728 TIMING: 2460400 CPU: 7330.02, 0.00307927/step Wall: 7330.02, 0.00307927/step, 2.17226 hours remaining, 206.308594 MB of memory in use. ENERGY: 2460400 734.0238 2086.0325 1940.3537 112.1179 -205631.3739 17441.7581 0.0000 0.0000 34203.8634 -149113.2245 298.7108 -183317.0879 -149019.0121 299.5026 -73.1099 -41.7238 557130.7948 7.9441 8.1655 PRESSURE: 2460600 -159.997 -31.2505 -83.9017 -31.2504 42.1197 36.4758 -83.9006 36.4768 -246.082 GPRESSURE: 2460600 -143.836 7.86166 -123.353 -61.9119 94.2347 -106.308 -90.6899 69.3504 -230.594 PRESSAVG: 2460600 31.5584 19.5972 52.5453 19.5972 -16.285 41.7983 52.5453 41.7984 -13.8649 GPRESSAVG: 2460600 29.905 20.7415 53.1546 18.2009 -16.2173 40.4537 51.524 45.6576 -12.1384 TIMING: 2460600 CPU: 7330.62, 0.00301364/step Wall: 7330.62, 0.00301364/step, 2.12579 hours remaining, 206.308594 MB of memory in use. ENERGY: 2460600 751.1700 2026.8351 1929.1740 103.9905 -205710.9134 17604.3928 0.0000 0.0000 34279.4165 -149015.9345 299.3707 -183295.3510 -148914.8983 299.2130 -121.3196 -93.3986 558529.7931 0.4695 0.5164 PRESSURE: 2460800 -38.1044 -84.6982 -7.77362 -84.698 -120.043 -33.1404 -7.77341 -33.1408 -56.4328 GPRESSURE: 2460800 -18.8866 -116.435 -15.9182 -67.2514 -74.511 -73.4769 30.7853 -4.02171 -27.9318 PRESSAVG: 2460800 32.9648 -37.2296 38.2114 -37.2295 -64.9697 21.8998 38.2115 21.8999 17.2814 GPRESSAVG: 2460800 33.1968 -36.0355 36.8893 -36.9077 -64.294 23.335 41.9733 20.6534 16.0557 TIMING: 2460800 CPU: 7331.22, 0.00300426/step Wall: 7331.22, 0.00300426/step, 2.119 hours remaining, 206.308594 MB of memory in use. ENERGY: 2460800 772.2369 2073.1123 1935.1719 98.2496 -206005.5485 17681.3319 0.0000 0.0000 34302.1056 -149143.3403 299.5688 -183445.4460 -149042.6495 299.7219 -71.5266 -40.4431 556168.7151 -4.9078 -5.0139 PRESSURE: 2461000 -227.42 -201.574 122.712 -201.573 27.07 22.4721 122.712 22.4728 -111.186 GPRESSURE: 2461000 -159.857 -249.851 158.955 -186.62 41.1588 116.727 125.252 33.8817 -99.7746 PRESSAVG: 2461000 30.4574 -80.2111 -37.2001 -80.211 84.2947 79.7156 -37.2 79.7157 -50.9146 GPRESSAVG: 2461000 30.9597 -80.4901 -36.1787 -81.7435 82.7916 78.8875 -37.7709 78.8056 -50.3111 TIMING: 2461000 CPU: 7331.83, 0.00301949/step Wall: 7331.83, 0.00301949/step, 2.12958 hours remaining, 206.308594 MB of memory in use. ENERGY: 2461000 768.1623 2084.9490 1967.7179 115.9892 -205974.4947 17694.6526 0.0000 0.0000 34231.1798 -149111.8439 298.9494 -183343.0237 -149002.3618 299.6108 -103.8454 -72.8243 558008.6978 21.2791 21.1467 PRESSURE: 2461200 173.634 -85.5407 7.12532 -85.5395 -37.1751 48.6912 7.12502 48.6934 -47.4293 GPRESSURE: 2461200 156.587 -94.3814 -25.1504 -54.4105 73.6871 -2.96641 29.4258 111.979 -40.2115 PRESSAVG: 2461200 26.3457 -0.8203 23.0423 -0.820414 12.7189 -7.46231 23.0422 -7.46221 -81.4158 GPRESSAVG: 2461200 25.6752 -2.42446 23.8513 0.773634 14.4106 -5.82734 20.8536 -7.00365 -82.7442 TIMING: 2461200 CPU: 7332.42, 0.00299787/step Wall: 7332.42, 0.00299787/step, 2.11416 hours remaining, 206.308594 MB of memory in use. ENERGY: 2461200 730.4011 2034.1540 1977.7508 112.0246 -206499.0630 18057.9155 0.0000 0.0000 34237.2467 -149349.5703 299.0024 -183586.8171 -149257.1986 298.3016 29.6766 63.3543 558963.5309 -14.1171 -14.2195 PRESSURE: 2461400 -324.121 75.5256 -80.9719 75.5251 -176.76 49.1491 -80.9733 49.1498 -94.9963 GPRESSURE: 2461400 -277.109 94.326 -134.417 18.2068 -169.879 -4.74755 -92.0878 52.6973 -49.2036 PRESSAVG: 2461400 -1.21639 17.8828 -20.7303 17.8827 12.7113 4.2236 -20.7302 4.22367 43.9769 GPRESSAVG: 2461400 -1.55692 16.4714 -22.2699 18.6962 12.0607 3.92389 -19.7238 4.88791 44.8173 TIMING: 2461400 CPU: 7333.02, 0.00298019/step Wall: 7333.02, 0.00298019/step, 2.10153 hours remaining, 206.308594 MB of memory in use. ENERGY: 2461400 788.5503 2037.7467 1952.1154 129.4702 -205869.7913 17508.7596 0.0000 0.0000 34245.4920 -149207.6572 299.0744 -183453.1492 -149112.1305 299.1915 -198.6258 -165.3971 558651.2447 18.4906 18.4403 PRESSURE: 2461600 -293.254 64.3084 -8.23609 64.31 238.612 156.211 -8.23556 156.21 -124.518 GPRESSURE: 2461600 -183.39 40.1927 12.2756 12.8838 208.816 173.916 15.0359 181.489 -110.308 PRESSAVG: 2461600 -70.2712 26.8704 -1.50104 26.8704 -12.6474 -40.1446 -1.50106 -40.1447 61.37 GPRESSAVG: 2461600 -69.1818 28.5264 -1.93507 25.0864 -12.6578 -38.8674 -1.01127 -42.1856 60.3237 TIMING: 2461600 CPU: 7333.62, 0.00297367/step Wall: 7333.62, 0.00297367/step, 2.09677 hours remaining, 206.308594 MB of memory in use. ENERGY: 2461600 760.4618 2036.2680 1939.4947 111.0818 -205923.3863 17633.0450 0.0000 0.0000 34327.2934 -149115.7415 299.7888 -183443.0350 -149020.3658 299.0264 -59.7202 -28.2941 557101.7891 -7.1828 -7.1720 PRESSURE: 2461800 -199.322 8.00461 -109.236 8.00503 -54.1021 57.652 -109.235 57.6526 -28.2826 GPRESSURE: 2461800 -167.554 72.2016 -124.233 -20.8386 -17.9122 53.3603 -86.0943 57.5056 0.458035 PRESSAVG: 2461800 -31.5526 8.007 13.7836 8.00707 22.1513 46.3827 13.7835 46.3827 6.44184 GPRESSAVG: 2461800 -31.8315 7.53099 14.6638 9.64431 22.5446 44.3365 11.134 50.1767 5.50239 TIMING: 2461800 CPU: 7334.21, 0.00298758/step Wall: 7334.21, 0.00298758/step, 2.10641 hours remaining, 206.308594 MB of memory in use. ENERGY: 2461800 731.7399 2023.6482 1958.7807 97.0600 -205783.0965 17531.1825 0.0000 0.0000 34308.3540 -149132.3312 299.6234 -183440.6852 -149036.0304 300.2317 -93.9021 -61.6695 557716.7371 -0.9865 -1.2615 PRESSURE: 2462000 -56.6741 -198.079 -7.2377 -198.081 78.933 3.12433 -7.23829 3.12603 45.1162 GPRESSURE: 2462000 39.2257 -250 -13.9462 -174.267 74.711 1.68802 -60.2268 -9.4659 60.3706 PRESSAVG: 2462000 51.8055 -46.1991 -6.15495 -46.1991 10.7936 35.6431 -6.15493 35.6431 -56.7126 GPRESSAVG: 2462000 52.4122 -46.7557 -5.64687 -47.4816 9.7927 34.1264 -7.00242 33.4064 -56.2305 TIMING: 2462000 CPU: 7334.82, 0.0030229/step Wall: 7334.82, 0.0030229/step, 2.13114 hours remaining, 206.308594 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: 2462000 731.4286 2053.2801 1941.4399 112.5855 -205881.6432 17758.7727 0.0000 0.0000 34040.3075 -149243.8291 297.2825 -183284.1365 -149151.1127 298.9597 22.4584 58.1024 557540.3944 1.9622 1.9915 PRESSURE: 2462200 139.753 -90.0505 -32.5045 -90.0504 45.5721 -114.647 -32.5045 -114.65 -14.1463 GPRESSURE: 2462200 134.676 -50.4701 1.97946 -94.4712 117.214 -33.4169 -141.042 -171.984 21.5443 PRESSAVG: 2462200 -20.9528 -16.5595 13.878 -16.5595 26.8185 3.64061 13.878 3.64071 -14.4128 GPRESSAVG: 2462200 -21.7128 -16.8059 14.3517 -14.8016 27.255 5.8335 15.8123 4.59431 -14.4429 TIMING: 2462200 CPU: 7335.42, 0.00301415/step Wall: 7335.42, 0.00301415/step, 2.12481 hours remaining, 206.308594 MB of memory in use. ENERGY: 2462200 732.9272 2059.8828 1952.1906 113.4874 -206078.8683 17714.2744 0.0000 0.0000 34212.8133 -149293.2926 298.7890 -183506.1060 -149200.4216 299.4039 57.0597 91.1446 557848.4793 -2.8490 -2.9669 PRESSURE: 2462400 -25.2077 -9.99613 121.241 -9.99674 152.407 -120.438 121.241 -120.438 30.1782 GPRESSURE: 2462400 24.6708 -2.0986 61.9698 -86.4353 160.66 -33.7942 183.388 -241.546 65.9239 PRESSAVG: 2462400 -56.6434 -41.403 54.7531 -41.4032 -0.549608 -16.0737 54.7531 -16.0738 56.996 GPRESSAVG: 2462400 -57.6528 -41.47 55.3895 -43.0978 -1.05993 -16.6257 55.4246 -15.1785 58.6665 TIMING: 2462400 CPU: 7336.02, 0.00298926/step Wall: 7336.02, 0.00298926/step, 2.1071 hours remaining, 206.308594 MB of memory in use. ENERGY: 2462400 758.9799 2062.2189 1936.2701 118.5233 -205885.4157 17713.0370 0.0000 0.0000 34118.6598 -149177.7266 297.9667 -183296.3864 -149079.3837 298.8956 52.4590 83.7515 557587.8238 -0.0657 -0.0154 PRESSURE: 2462600 -70.0571 -6.14819 -7.80339 -6.14826 -76.1262 264.453 -7.80347 264.454 -16.7785 GPRESSURE: 2462600 -88.1225 -32.1303 32.5332 -2.5248 -28.643 200.371 28.6222 306.106 51.2412 PRESSAVG: 2462600 47.072 -23.1187 49.2653 -23.1186 35.0334 4.24726 49.2653 4.24724 -9.88373 GPRESSAVG: 2462600 46.0746 -22.8633 48.7438 -20.6789 36.1619 4.46038 47.5581 5.09412 -10.0826 TIMING: 2462600 CPU: 7336.62, 0.00298941/step Wall: 7336.62, 0.00298941/step, 2.10704 hours remaining, 206.308594 MB of memory in use. ENERGY: 2462600 717.3680 2127.0511 1955.8782 113.8590 -205777.1255 17703.6637 0.0000 0.0000 34179.8804 -148979.4251 298.5014 -183159.3055 -148889.5163 299.0315 -54.3206 -21.8414 557998.9859 24.0739 24.0513 PRESSURE: 2462800 10.3106 -7.52926 -37.5211 -7.52853 28.7742 -104.914 -37.5208 -104.914 8.12263 GPRESSURE: 2462800 37.6565 64.8069 15.3483 -110.46 39.5575 -122.215 22.6708 -60.8293 72.8072 PRESSAVG: 2462800 -76.0756 1.91535 -6.61003 1.91533 -0.12017 21.3346 -6.61007 21.3346 73.8204 GPRESSAVG: 2462800 -74.5968 2.9574 -6.95949 0.715701 -1.12948 22.2935 -5.17239 17.1321 73.5567 TIMING: 2462800 CPU: 7337.22, 0.00300829/step Wall: 7337.22, 0.00300829/step, 2.12017 hours remaining, 206.308594 MB of memory in use. ENERGY: 2462800 764.1102 2139.9903 1954.5914 108.0292 -206088.2839 17766.1924 0.0000 0.0000 34478.0389 -148877.3315 301.1053 -183355.3704 -148785.2654 299.7833 15.7358 50.0071 557357.8747 -0.7918 -0.7232 PRESSURE: 2463000 104.054 -58.5789 -173.904 -58.5794 4.69611 -51.4055 -173.904 -51.4058 62.3609 GPRESSURE: 2463000 171.674 -22.488 -173.624 -14.635 1.13094 -67.6696 -111.452 -102.19 115.662 PRESSAVG: 2463000 -54.6873 1.0967 -22.9051 1.09667 37.3467 10.652 -22.9051 10.6519 42.6464 GPRESSAVG: 2463000 -54.0426 0.204769 -24.1816 0.763065 36.6149 12.449 -24.8185 11.1765 42.5977 TIMING: 2463000 CPU: 7337.82, 0.00298554/step Wall: 7337.82, 0.00298554/step, 2.10398 hours remaining, 206.308594 MB of memory in use. ENERGY: 2463000 760.9303 2115.9300 1956.8455 116.7696 -206020.0945 17812.9666 0.0000 0.0000 34326.7774 -148929.8751 299.7843 -183256.6526 -148832.3157 299.9834 57.0370 96.1559 556566.2592 8.4353 8.3900 PRESSURE: 2463200 -31.7446 -168.08 37.5026 -168.08 -133.148 35.5948 37.5035 35.5941 46.4409 GPRESSURE: 2463200 -19.2529 -153.342 135.535 -168.436 -55.1862 27.5924 -32.3133 90.2324 55.7782 PRESSAVG: 2463200 18.1134 14.0094 3.43528 14.0094 59.963 -13.4098 3.43524 -13.4098 -72.812 GPRESSAVG: 2463200 17.0451 13.897 6.04498 15.47 61.9964 -16.6748 3.8402 -11.363 -73.4566 TIMING: 2463200 CPU: 7338.41, 0.00298602/step Wall: 7338.41, 0.00298603/step, 2.10415 hours remaining, 206.308594 MB of memory in use. ENERGY: 2463200 806.0464 2153.4779 1960.6286 120.5984 -206372.8389 17967.2328 0.0000 0.0000 34268.1319 -149096.7230 299.2721 -183364.8549 -149008.2203 300.2342 -39.4839 -6.2203 558455.2119 1.7548 1.8616 PRESSURE: 2463400 -54.5454 -176.986 61.9883 -176.985 170.263 -129.746 61.9876 -129.746 -278.188 GPRESSURE: 2463400 -75.8865 -154.142 -0.798375 -113.815 237.854 -124.607 144.226 -125.144 -221.768 PRESSAVG: 2463400 -23.1371 18.4731 -1.57028 18.4731 8.9897 -21.6755 -1.57032 -21.6756 -52.8 GPRESSAVG: 2463400 -23.5083 18.5057 -4.04247 19.6077 8.98996 -21.0394 1.38689 -23.4918 -52.8673 TIMING: 2463400 CPU: 7339.01, 0.00298686/step Wall: 7339.01, 0.00298686/step, 2.10457 hours remaining, 206.308594 MB of memory in use. ENERGY: 2463400 796.2019 2092.2296 1946.7547 105.7795 -206371.0388 17823.8675 0.0000 0.0000 34372.8703 -149233.3354 300.1868 -183606.2057 -149133.7097 299.7202 -54.1568 -19.9336 557233.9349 -22.3158 -22.4619 PRESSURE: 2463600 -228.338 -0.444075 -172.657 -0.444888 4.85981 262.461 -172.655 262.461 -94.9684 GPRESSURE: 2463600 -188.972 39.5256 -152.39 -66.4588 -21.1305 288.817 -187.541 261.732 -12.071 PRESSAVG: 2463600 -2.96838 -21.0921 -18.8832 -21.0921 9.28755 -4.37811 -18.8832 -4.37821 16.2901 GPRESSAVG: 2463600 -2.87797 -22.727 -17.1937 -21.6653 9.00185 -4.45283 -20.9836 -4.96668 16.6134 TIMING: 2463600 CPU: 7339.6, 0.0029572/step Wall: 7339.6, 0.0029572/step, 2.08351 hours remaining, 206.308594 MB of memory in use. ENERGY: 2463600 726.5069 2092.1049 1970.3887 107.1595 -205846.5504 17714.8906 0.0000 0.0000 34189.7642 -149045.7356 298.5877 -183235.4998 -148944.4467 299.7484 -106.1490 -74.0578 559435.2529 7.5364 7.5791 PRESSURE: 2463800 -154.404 110.374 -56.2067 110.373 174.824 45.3271 -56.2071 45.3273 166.329 GPRESSURE: 2463800 -96.7391 119.184 -130.083 142.018 200.48 -12.7889 -63.1246 33.4962 179.648 PRESSAVG: 2463800 -5.87116 31.6863 -19.6648 31.6862 -61.5389 -30.0772 -19.6647 -30.0772 67.8809 GPRESSAVG: 2463800 -4.88713 33.9322 -19.4838 31.0651 -61.6444 -30.2825 -19.1817 -29.0459 67.1014 TIMING: 2463800 CPU: 7340.2, 0.00298169/step Wall: 7340.2, 0.00298169/step, 2.1006 hours remaining, 206.308594 MB of memory in use. ENERGY: 2463800 729.3995 2097.4304 1938.0056 127.7854 -206136.0562 17877.4647 0.0000 0.0000 34446.6039 -148919.3667 300.8308 -183365.9706 -148815.2460 299.8917 62.2497 94.4632 558321.5372 0.1569 0.1899 PRESSURE: 2464000 -54.1302 -62.0504 93.1274 -62.0506 0.401137 -75.7103 93.1272 -75.7124 -38.3036 GPRESSURE: 2464000 -41.7109 10.0976 36.4166 -65.7441 34.0228 -40.6125 84.1243 -49.8989 2.24103 PRESSAVG: 2464000 -18.2419 16.7712 13.3773 16.7712 -18.6879 41.1788 13.3772 41.1789 57.6062 GPRESSAVG: 2464000 -18.2606 18.9618 11.8772 15.9828 -17.8225 42.1226 13.4136 41.7767 56.7108 TIMING: 2464000 CPU: 7340.79, 0.00298804/step Wall: 7340.79, 0.00298804/step, 2.10491 hours remaining, 206.308594 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: 2464000 763.0202 2086.6999 1978.5209 104.3069 -206135.6519 17884.0976 0.0000 0.0000 34433.7702 -148885.2362 300.7187 -183319.0064 -148785.9631 300.4002 -30.6776 -1.8157 558569.7398 6.8921 6.8759 PRESSURE: 2464200 -258.297 139.968 148.45 139.967 -230.524 70.3242 148.45 70.3225 38.4633 GPRESSURE: 2464200 -248.915 159.585 191.72 107.947 -204.585 85.959 206.197 23.2163 101.11 PRESSAVG: 2464200 -9.50991 -3.35576 -19.2591 -3.35573 -25.7049 113.563 -19.2591 113.563 0.285558 GPRESSAVG: 2464200 -9.8243 -5.98819 -17.4289 -2.91737 -26.6576 111.701 -20.7787 113.889 1.74235 TIMING: 2464200 CPU: 7341.39, 0.0029879/step Wall: 7341.39, 0.0029879/step, 2.10464 hours remaining, 206.308594 MB of memory in use. ENERGY: 2464200 790.6287 2131.4559 1968.4540 127.0512 -205731.5641 17614.6385 0.0000 0.0000 34142.0860 -148957.2498 298.1713 -183099.3358 -148858.9786 300.6429 -150.1194 -117.4635 559052.4252 -11.6431 -11.5799 LDB: ============= START OF LOAD BALANCING ============== 7344.82 LDB: ============== END OF LOAD BALANCING =============== 7344.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7344.82 LDB: ============= START OF LOAD BALANCING ============== 7345.12 LDB: Largest compute 4821 load 0.024662 is 20.9% of average load 0.118034 LDB: Average compute 0.001711 is 1.4% of average load 0.118034 LDB: TIME 7345.13 LOAD: AVG 0.118034 MAX 0.202967 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.371 MB LDB: TIME 7345.13 LOAD: AVG 0.118034 MAX 0.202967 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.434 MB LDB: TIME 7345.13 LOAD: AVG 0.118034 MAX 0.202967 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.434 MB LDB: ============== END OF LOAD BALANCING =============== 7345.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 7345.13 Info: useSync: 0 useProxySync: 0 PRESSURE: 2464400 8.62253 -64.6324 -227.115 -64.6317 -201.629 31.074 -227.114 31.0737 -254.122 GPRESSURE: 2464400 82.9004 -47.1269 -249.343 -98.5102 -185.273 87.4741 -167.003 96.4813 -248.818 PRESSAVG: 2464400 -1.44398 -83.0355 6.85088 -83.0356 -20.3643 19.8461 6.85093 19.846 15.4423 GPRESSAVG: 2464400 -1.46997 -82.0681 5.80219 -86.4766 -20.3106 19.9737 7.29888 20.8305 15.6257 TIMING: 2464400 CPU: 7342, 0.0030544/step Wall: 7342, 0.0030544/step, 2.15131 hours remaining, 207.281250 MB of memory in use. ENERGY: 2464400 765.7093 2096.7161 1946.7903 118.4585 -205954.7852 17664.2544 0.0000 0.0000 34456.0436 -148906.8130 300.9132 -183362.8566 -148809.7303 299.4411 -149.0429 -117.0638 558970.7062 -2.1220 -2.0516 PRESSURE: 2464600 -32.9418 -94.9737 81.8312 -94.9723 -38.5624 99.2733 81.8305 99.2744 26.5832 GPRESSURE: 2464600 -35.5023 -114.662 34.5195 -72.8792 46.058 126.35 28.029 146.723 39.6799 PRESSAVG: 2464600 30.0252 -81.6609 -42.0807 -81.6608 26.1855 23.5817 -42.0807 23.5817 -43.0848 GPRESSAVG: 2464600 29.5258 -83.8319 -42.4669 -77.6805 26.2001 23.7404 -42.0072 21.6714 -42.9864 TIMING: 2464600 CPU: 7342.6, 0.00300122/step Wall: 7342.6, 0.00300122/step, 2.11369 hours remaining, 207.281250 MB of memory in use. ENERGY: 2464600 785.7672 2083.2208 1947.8774 105.5150 -205864.9470 17651.7402 0.0000 0.0000 34389.6179 -148901.2086 300.3331 -183290.8264 -148812.7244 300.0187 -14.9737 16.7452 557597.3478 4.3753 4.2465 PRESSURE: 2464800 304.849 -18.1336 117.523 -18.1325 70.4669 -0.972609 117.523 -0.97242 102.531 GPRESSURE: 2464800 334.641 -46.9549 135.255 -41.7798 90.7734 59.7463 108.968 -98.2003 139.352 PRESSAVG: 2464800 54.5571 -70.9706 44.4134 -70.9707 50.5491 1.05418 44.4134 1.05419 -93.8109 GPRESSAVG: 2464800 53.9405 -69.1434 46.442 -73.1999 51.1055 2.06645 43.3802 0.349732 -93.1278 TIMING: 2464800 CPU: 7343.2, 0.00298268/step Wall: 7343.2, 0.00298268/step, 2.10047 hours remaining, 207.281250 MB of memory in use. ENERGY: 2464800 737.5483 2113.4243 1931.1639 107.9937 -206056.7885 18074.5162 0.0000 0.0000 34388.1177 -148704.0245 300.3200 -183092.1422 -148609.8785 300.5202 159.2823 188.2555 558550.2124 3.7651 3.9727 PRESSURE: 2465000 -167.764 -76.816 92.9733 -76.8166 -200.347 16.2605 92.9718 16.2598 -294.194 GPRESSURE: 2465000 -106.864 -21.8452 73.0721 -122.309 -215.686 56.7984 126.932 -43.6262 -229.859 PRESSAVG: 2465000 65.1308 -1.92411 -2.28952 -1.92409 -67.6365 7.72911 -2.28959 7.72911 -2.69156 GPRESSAVG: 2465000 65.6693 -1.4042 -2.63584 -0.545084 -68.3445 8.46578 -2.04957 8.18879 -2.17505 TIMING: 2465000 CPU: 7343.8, 0.00298245/step Wall: 7343.8, 0.00298245/step, 2.10014 hours remaining, 207.281250 MB of memory in use. ENERGY: 2465000 729.9841 2136.5026 1981.0481 112.7372 -205398.0333 17328.9600 0.0000 0.0000 34342.4685 -148766.3328 299.9213 -183108.8013 -148666.9038 300.4062 -220.7684 -184.1365 559419.8149 -1.7324 -1.6167 PRESSURE: 2465200 93.6976 -1.11027 62.5549 -1.10964 132.744 -75.7031 62.5548 -75.7023 147.871 GPRESSURE: 2465200 100.446 20.8313 63.7285 -73.615 179.843 -44.6059 59.2269 -98.6979 188.743 PRESSAVG: 2465200 -46.9024 22.3124 48.5164 22.3124 10.0517 6.91566 48.5165 6.91572 17.6944 GPRESSAVG: 2465200 -46.2913 21.2648 47.3614 21.4745 11.4777 5.84275 50.4634 8.5657 15.6908 TIMING: 2465200 CPU: 7344.4, 0.0029933/step Wall: 7344.4, 0.0029933/step, 2.10762 hours remaining, 207.281250 MB of memory in use. ENERGY: 2465200 730.8667 2166.8964 1945.3198 111.5740 -205798.5073 17818.4129 0.0000 0.0000 34344.2199 -148681.2177 299.9366 -183025.4376 -148581.3973 300.4535 124.7709 156.3441 558094.1032 -6.3854 -6.3743 PRESSURE: 2465400 -56.5432 -9.15746 67.0943 -9.15741 146.829 -90.6287 67.0948 -90.6298 194.34 GPRESSURE: 2465400 11.832 -3.93007 0.996657 -8.36322 148.613 -70.2964 147.54 -25.916 215.084 PRESSAVG: 2465400 -35.3482 50.7308 29.5855 50.7308 34.1746 -75.3463 29.5855 -75.3462 -1.50537 GPRESSAVG: 2465400 -35.6617 49.4212 28.0231 51.4327 33.578 -73.9277 29.3947 -75.9398 -0.850027 TIMING: 2465400 CPU: 7344.99, 0.00299498/step Wall: 7344.99, 0.00299498/step, 2.10863 hours remaining, 207.281250 MB of memory in use. ENERGY: 2465400 752.6388 2172.9673 1941.6454 101.4499 -206474.4576 18118.9291 0.0000 0.0000 34569.4599 -148817.3672 301.9037 -183386.8271 -148716.5459 300.7479 94.8752 125.1764 557795.2318 -0.8930 -0.9779 PRESSURE: 2465600 228.111 70.0372 -54.7496 70.0375 357.37 -65.3883 -54.7497 -65.3881 176.433 GPRESSURE: 2465600 201.352 33.9917 -81.9894 126.005 438.146 -55.4575 -29.816 -14.1541 215.492 PRESSAVG: 2465600 -22.1758 2.8504 22.0386 2.85029 48.4825 -24.1034 22.0386 -24.1034 -36.3346 GPRESSAVG: 2465600 -23.0808 3.71618 24.4701 4.58234 47.7731 -24.9218 20.1173 -24.879 -34.6887 TIMING: 2465600 CPU: 7345.59, 0.0029815/step Wall: 7345.59, 0.0029815/step, 2.09898 hours remaining, 207.281250 MB of memory in use. ENERGY: 2465600 775.7679 2140.8584 1943.7201 106.3238 -206257.3655 18109.9751 0.0000 0.0000 34418.0699 -148762.6502 300.5816 -183180.7201 -148675.3672 301.1819 253.9715 284.9966 556108.7019 -3.3426 -3.3321 PRESSURE: 2465800 -144.557 -166.266 34.1837 -166.266 -41.4156 111.152 34.183 111.153 118.182 GPRESSURE: 2465800 -77.7682 -245.578 150.334 -156.081 -71.4604 151.579 -17.5291 118.784 178.404 PRESSAVG: 2465800 4.09231 25.8423 33.6712 25.8423 -19.6015 76.0037 33.6712 76.0036 32.8714 GPRESSAVG: 2465800 5.77958 27.7728 33.2034 24.0854 -19.2609 76.1007 35.7015 74.3594 30.4577 TIMING: 2465800 CPU: 7346.19, 0.00298001/step Wall: 7346.19, 0.00298001/step, 2.09776 hours remaining, 207.281250 MB of memory in use. ENERGY: 2465800 759.3690 2122.7894 1945.4307 108.3922 -206175.8379 17854.0206 0.0000 0.0000 34517.9740 -148867.8620 301.4541 -183385.8360 -148782.1043 300.4263 -22.5970 9.7253 557755.0277 5.7874 5.6588 PRESSURE: 2466000 -46.7347 -77.6627 -78.7837 -77.6627 -142.716 113.356 -78.7848 113.356 45.7816 GPRESSURE: 2466000 -49.3103 -66.0464 -115.976 -56.1662 -91.0171 93.5092 -124.336 87.2943 88.0685 PRESSAVG: 2466000 -47.606 14.1942 16.4716 14.1942 18.9925 28.0249 16.4716 28.0249 -23.4848 GPRESSAVG: 2466000 -47.315 12.1516 15.8066 13.372 17.6646 28.6764 14.4344 29.44 -22.1425 TIMING: 2466000 CPU: 7346.79, 0.00299952/step Wall: 7346.79, 0.00299952/step, 2.11133 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: 2466000 778.1793 2129.5342 1954.8152 113.6876 -205847.3848 17806.5967 0.0000 0.0000 34511.5351 -148553.0368 301.3978 -183064.5719 -148456.4505 300.8708 -47.8899 -17.4196 557142.7885 -17.3661 -17.2643 PRESSURE: 2466200 -86.1238 -118.421 42.4656 -118.42 -81.8198 56.3625 42.4644 56.3628 45.7443 GPRESSURE: 2466200 -100.995 -181.609 13.274 -104.166 1.87863 -21.9455 -50.3915 25.5753 70.2623 PRESSAVG: 2466200 22.2778 -1.98063 -20.9783 -1.98072 25.3944 -11.1187 -20.9783 -11.1186 -31.1522 GPRESSAVG: 2466200 20.4295 -0.781214 -19.6596 -2.7926 26.8021 -12.6485 -19.8603 -11.4414 -31.0993 TIMING: 2466200 CPU: 7347.39, 0.0030057/step Wall: 7347.39, 0.0030057/step, 2.11551 hours remaining, 207.281250 MB of memory in use. ENERGY: 2466200 772.3363 2129.7570 1937.8998 108.1912 -205778.7384 17838.1622 0.0000 0.0000 34362.4064 -148629.9855 300.0954 -182992.3919 -148533.7090 301.1273 -40.7331 -9.6181 559582.9325 5.5067 5.3774 PRESSURE: 2466400 -6.3124 48.4213 26.8301 48.421 33.3171 19.6473 26.8293 19.6469 -327.778 GPRESSURE: 2466400 -8.90864 -62.4764 45.5347 185.871 75.751 46.5196 -70.6687 25.7606 -283.368 PRESSAVG: 2466400 27.0885 7.40002 -13.8063 7.40001 -9.87794 42.6355 -13.8063 42.6356 -31.341 GPRESSAVG: 2466400 27.6046 5.50204 -13.6055 7.67292 -10.4386 43.8318 -13.8379 43.2725 -31.5223 TIMING: 2466400 CPU: 7347.99, 0.00299417/step Wall: 7347.99, 0.00299417/step, 2.10723 hours remaining, 207.281250 MB of memory in use. ENERGY: 2466400 732.4271 2137.3054 1943.7295 115.4235 -205612.9922 17582.8205 0.0000 0.0000 34396.8810 -148704.4052 300.3965 -183101.2862 -148607.7444 300.4613 -100.2577 -72.1751 559236.5886 -4.7102 -4.7854 PRESSURE: 2466600 -133.159 41.3335 -146.235 41.3342 -105.882 17.216 -146.235 17.2152 -108.061 GPRESSURE: 2466600 -74.7637 20.4986 -155.868 -44.5907 -88.147 27.8364 -121.652 37.8045 -85.3439 PRESSAVG: 2466600 -58.2515 13.2544 -70.1491 13.2544 66.9054 -3.39805 -70.1491 -3.39811 -18.7071 GPRESSAVG: 2466600 -58.8335 14.5109 -71.3877 13.4734 67.6961 -3.93014 -69.9032 -3.94651 -19.0857 TIMING: 2466600 CPU: 7348.59, 0.00300772/step Wall: 7348.59, 0.00300772/step, 2.1166 hours remaining, 207.281250 MB of memory in use. ENERGY: 2466600 713.2171 2148.1448 1944.2288 111.3189 -205834.0962 17866.9436 0.0000 0.0000 34445.5686 -148604.6744 300.8217 -183050.2430 -148509.9600 300.8552 -115.7003 -82.7515 559346.8336 -3.3511 -3.4077 PRESSURE: 2466800 -242.708 -33.3872 160.666 -33.3867 -137.289 27.3634 160.666 27.3633 243.498 GPRESSURE: 2466800 -215.482 -13.2032 135.402 -101.85 -91.5217 75.5045 202.733 -4.21227 262.518 PRESSAVG: 2466800 38.9669 12.8517 -37.1783 12.8518 4.02722 -8.4798 -37.1783 -8.47988 9.67678 GPRESSAVG: 2466800 38.7545 12.4954 -38.1772 14.2214 4.1341 -7.9078 -36.1236 -8.19432 9.68743 TIMING: 2466800 CPU: 7349.19, 0.00298752/step Wall: 7349.19, 0.00298752/step, 2.10222 hours remaining, 207.281250 MB of memory in use. ENERGY: 2466800 730.4559 2094.8410 1975.4524 131.4846 -205398.8553 17569.3809 0.0000 0.0000 34191.2415 -148705.9990 298.6006 -182897.2405 -148614.5677 301.0740 -45.4995 -14.8287 557706.6975 17.5570 17.5254 PRESSURE: 2467000 -42.61 121.868 64.6216 121.869 -303.819 40.5789 64.622 40.5802 -157.254 GPRESSURE: 2467000 -76.0727 122.844 8.02945 183.258 -242.636 77.8103 151.898 63.0882 -91.8897 PRESSAVG: 2467000 7.46575 55.8238 -23.0353 55.8239 -27.9043 50.9783 -23.0353 50.9782 5.01324 GPRESSAVG: 2467000 7.33684 55.2459 -23.3411 55.0508 -28.4527 50.9582 -23.7815 48.5644 4.88619 TIMING: 2467000 CPU: 7349.78, 0.00299211/step Wall: 7349.78, 0.00299211/step, 2.10528 hours remaining, 207.281250 MB of memory in use. ENERGY: 2467000 729.4969 2072.9358 1935.9902 104.0917 -205574.6021 17437.2921 0.0000 0.0000 34424.3671 -148870.4282 300.6366 -183294.7953 -148771.4614 299.8239 -167.8941 -136.8663 557047.6541 -5.1418 -5.4099 PRESSURE: 2467200 -70.9732 -1.80777 -161.507 -1.80709 -122.15 38.0749 -161.507 38.0753 -155.784 GPRESSURE: 2467200 -14.6158 -37.508 -137.163 -45.8645 -112.1 68.7841 -228.968 70.4178 -129.829 PRESSAVG: 2467200 -9.83614 -16.3978 -30.5751 -16.3978 5.73458 63.3572 -30.5751 63.3572 28.974 GPRESSAVG: 2467200 -9.48501 -16.3478 -27.7116 -17.6192 5.82888 62.849 -33.1406 63.4832 28.5848 TIMING: 2467200 CPU: 7350.38, 0.00299041/step Wall: 7350.38, 0.00299041/step, 2.10392 hours remaining, 207.281250 MB of memory in use. ENERGY: 2467200 753.7178 2071.0843 1911.5163 113.5372 -205580.4239 17522.6761 0.0000 0.0000 34348.1789 -148859.7133 299.9712 -183207.8922 -148761.6049 299.4804 -116.3022 -85.5149 557052.0474 8.2908 8.3095 PRESSURE: 2467400 16.9303 81.1365 -135.986 81.1347 105.635 5.38731 -135.985 5.38873 7.61736 GPRESSURE: 2467400 101.024 105.252 -131.058 178.551 124.798 60.2255 -73.9665 80.1916 -5.80582 PRESSAVG: 2467400 40.7442 -32.8175 -96.8458 -32.8175 5.46924 57.5407 -96.8458 57.5406 -24.8694 GPRESSAVG: 2467400 40.7327 -33.0614 -97.7212 -30.3877 5.54244 59.1497 -95.336 57.269 -24.6063 TIMING: 2467400 CPU: 7350.98, 0.00298498/step Wall: 7350.98, 0.00298498/step, 2.09994 hours remaining, 207.281250 MB of memory in use. ENERGY: 2467400 778.6179 2067.4711 1927.8778 123.3098 -206086.6521 17875.6340 0.0000 0.0000 34490.4362 -148823.3053 301.2136 -183313.7415 -148726.1997 300.2741 43.3942 73.3389 557752.5760 7.1147 7.2229 PRESSURE: 2467600 -112.228 12.4744 38.2602 12.4743 64.1039 -142.226 38.26 -142.226 215.292 GPRESSURE: 2467600 -66.5013 33.1294 9.18955 -0.139688 91.0399 -159.942 -55.9222 -57.4049 237.406 PRESSAVG: 2467600 -24.4214 37.1811 -71.4302 37.1811 -66.4533 3.66963 -71.4303 3.66979 68.2472 GPRESSAVG: 2467600 -24.4789 36.9659 -71.525 35.074 -66.0655 2.54529 -69.422 4.94973 68.2282 TIMING: 2467600 CPU: 7351.58, 0.00299912/step Wall: 7351.58, 0.00299912/step, 2.10971 hours remaining, 207.281250 MB of memory in use. ENERGY: 2467600 764.0405 2082.4181 1984.3386 119.4187 -206039.4439 17869.5547 0.0000 0.0000 34320.5564 -148899.1170 299.7300 -183219.6734 -148801.0334 300.4555 55.7228 87.3149 557456.3558 -7.5425 -7.4387 PRESSURE: 2467800 55.6008 24.9164 59.5565 24.9151 598.743 36.5473 59.5557 36.5472 182.431 GPRESSURE: 2467800 80.8923 56.7481 52.3809 -40.3474 638.853 72.1753 54.7011 18.6923 204.125 PRESSAVG: 2467800 -6.03199 -17.7585 -29.8304 -17.7585 48.802 -46.4943 -29.8304 -46.4943 -11.2784 GPRESSAVG: 2467800 -5.7334 -18.1903 -29.906 -15.8763 47.2549 -45.4993 -31.1249 -48.313 -10.8782 TIMING: 2467800 CPU: 7352.18, 0.00300022/step Wall: 7352.18, 0.00300022/step, 2.11032 hours remaining, 207.281250 MB of memory in use. ENERGY: 2467800 709.9170 2072.5606 1956.4673 108.1314 -206390.1671 18342.4714 0.0000 0.0000 34235.9536 -148964.6660 298.9911 -183200.6195 -148870.3039 300.0695 278.9249 307.9569 557660.6005 10.4972 10.2144 PRESSURE: 2468000 -220.466 47.2949 59.0038 47.2963 -300.083 157.082 59.0044 157.082 -31.6615 GPRESSURE: 2468000 -152.899 20.9705 -77.459 35.1161 -269.34 34.0883 81.7708 112.04 -37.7046 PRESSAVG: 2468000 -34.2362 -7.52665 17.1962 -7.52665 12.4232 -2.72242 17.1963 -2.72243 30.591 GPRESSAVG: 2468000 -34.068 -7.75872 18.25 -8.26416 12.9999 -1.63892 16.885 -2.62353 29.3633 TIMING: 2468000 CPU: 7352.78, 0.00300782/step Wall: 7352.78, 0.00300782/step, 2.1155 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: 2468000 748.2799 2076.9330 1973.6288 122.0102 -205580.5474 17539.2790 0.0000 0.0000 34504.7118 -148615.7047 301.3382 -183120.4165 -148513.1130 300.2033 -184.0700 -153.3145 559396.8502 2.9260 2.7651 PRESSURE: 2468200 297.398 172.079 28.389 172.077 131.027 -64.5149 28.3879 -64.5149 255.24 GPRESSURE: 2468200 311.765 165.891 -58.3763 145.545 229.573 46.3716 73.5999 -149.998 229.573 PRESSAVG: 2468200 2.40751 67.2576 -31.2172 67.2575 -14.0802 -8.76418 -31.2172 -8.76432 25.0732 GPRESSAVG: 2468200 1.58142 69.2593 -32.3442 66.0691 -13.7179 -8.33824 -31.258 -7.42592 25.0626 TIMING: 2468200 CPU: 7353.38, 0.00301054/step Wall: 7353.38, 0.00301054/step, 2.11724 hours remaining, 207.281250 MB of memory in use. ENERGY: 2468200 742.8260 2083.1284 1952.4029 117.1976 -206168.1110 18094.8533 0.0000 0.0000 34517.6687 -148660.0341 301.4514 -183177.7028 -148561.8475 301.5835 227.8880 256.9702 557597.4023 4.4669 4.3087 LDB: ============= START OF LOAD BALANCING ============== 7356.81 LDB: ============== END OF LOAD BALANCING =============== 7356.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7356.81 LDB: ============= START OF LOAD BALANCING ============== 7357.12 LDB: Largest compute 4821 load 0.022684 is 19.2% of average load 0.118118 LDB: Average compute 0.001712 is 1.4% of average load 0.118118 LDB: TIME 7357.12 LOAD: AVG 0.118118 MAX 0.206682 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.566 MB LDB: TIME 7357.12 LOAD: AVG 0.118118 MAX 0.206682 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.637 MB LDB: TIME 7357.12 LOAD: AVG 0.118118 MAX 0.206682 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7357.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7357.12 PRESSURE: 2468400 141.411 -0.16853 62.7386 -0.16932 95.5703 29.9985 62.7373 29.9976 -57.0533 GPRESSURE: 2468400 119.635 44.9206 106.103 2.64479 191.859 29.4572 28.1353 29.2913 -45.5336 PRESSAVG: 2468400 35.6722 12.28 42.3978 12.2801 -10.3402 13.5229 42.3978 13.5229 10.4672 GPRESSAVG: 2468400 35.0333 12.0832 43.2902 13.4659 -10.0364 10.6393 43.0964 13.8938 10.9905 TIMING: 2468400 CPU: 7353.99, 0.00306062/step Wall: 7353.99, 0.00306062/step, 2.15229 hours remaining, 205.988281 MB of memory in use. ENERGY: 2468400 749.7159 2114.0398 1945.6570 112.0014 -205719.6131 17884.6632 0.0000 0.0000 34181.1259 -148732.4100 298.5123 -182913.5359 -148635.5570 300.9507 59.9759 88.6535 557621.0807 11.9331 11.9958 PRESSURE: 2468600 52.8437 58.3294 15.1001 58.3295 -141.048 28.366 15.1 28.3669 38.8546 GPRESSURE: 2468600 65.3214 29.3365 -26.3503 11.1094 -102.021 -31.1071 -25.7539 49.6295 68.7925 PRESSAVG: 2468600 54.1797 8.77069 -23.9331 8.77056 -51.6882 -1.08624 -23.9332 -1.08617 -10.6155 GPRESSAVG: 2468600 53.2957 8.57352 -23.1683 7.40149 -50.9391 -1.40306 -22.7508 -2.38122 -10.6824 TIMING: 2468600 CPU: 7354.59, 0.00298939/step Wall: 7354.59, 0.00298939/step, 2.10204 hours remaining, 205.988281 MB of memory in use. ENERGY: 2468600 741.2962 2113.1775 1961.0992 106.1555 -206151.6423 17892.4086 0.0000 0.0000 34525.2091 -148812.2963 301.5172 -183337.5054 -148711.6919 300.3133 -16.4497 10.6976 558112.6551 -2.7080 -2.7753 PRESSURE: 2468800 137.442 -12.2023 82.9159 -12.2004 -138.345 49.599 82.917 49.5974 -78.6128 GPRESSURE: 2468800 153.317 87.9502 72.3217 3.1114 -102.246 35.4996 133.038 95.4117 -29.5525 PRESSAVG: 2468800 9.49727 -22.985 28.0671 -22.985 -7.82414 30.0108 28.0672 30.0109 -33.012 GPRESSAVG: 2468800 10.3595 -21.8673 25.1518 -24.2746 -9.76404 29.9255 29.4132 30.1698 -32.1649 TIMING: 2468800 CPU: 7355.19, 0.00296541/step Wall: 7355.19, 0.00296541/step, 2.08501 hours remaining, 205.988281 MB of memory in use. ENERGY: 2468800 773.1089 2046.8905 1956.8222 106.2421 -205678.7936 17650.8871 0.0000 0.0000 34387.5536 -148757.2892 300.3151 -183144.8427 -148657.0481 300.3989 -26.5050 7.1730 557884.9480 -10.4463 -10.5231 PRESSURE: 2469000 199.611 -155.528 119.308 -155.529 172.966 -63.8581 119.308 -63.8575 -140.491 GPRESSURE: 2469000 247.486 -111.576 121.692 -107.174 230.295 -58.2345 116.452 -76.5939 -160.586 PRESSAVG: 2469000 67.2033 8.31802 -11.5288 8.31795 43.8372 -10.66 -11.5288 -10.66 -57.9176 GPRESSAVG: 2469000 66.9427 8.8215 -8.64632 10.387 43.5429 -8.28768 -12.8493 -11.5746 -57.5157 TIMING: 2469000 CPU: 7355.78, 0.00296313/step Wall: 7355.78, 0.00296313/step, 2.08324 hours remaining, 205.988281 MB of memory in use. ENERGY: 2469000 725.6233 2094.9053 1970.4878 107.2204 -205828.4080 17711.1679 0.0000 0.0000 34585.3989 -148633.6043 302.0429 -183219.0033 -148537.0398 300.9263 77.3622 105.7320 557209.9739 17.7076 17.6567 PRESSURE: 2469200 94.3068 60.507 -91.9502 60.5074 159.248 261.032 -91.9505 261.034 -284.885 GPRESSURE: 2469200 85.173 -3.20456 -80.4446 110.272 152.673 251.494 -1.14194 198.138 -175.941 PRESSAVG: 2469200 -50.6731 -4.73411 1.80856 -4.73414 14.0938 0.657647 1.80858 0.657654 18.2994 GPRESSAVG: 2469200 -50.8796 -8.07062 1.71365 -3.93713 13.9121 -0.630056 0.318326 2.60647 18.723 TIMING: 2469200 CPU: 7356.37, 0.00297763/step Wall: 7356.37, 0.00297763/step, 2.09327 hours remaining, 205.988281 MB of memory in use. ENERGY: 2469200 745.2816 2128.5537 1967.7220 102.7932 -205675.5835 17586.9005 0.0000 0.0000 34505.0498 -148639.2828 301.3412 -183144.3326 -148546.9613 301.2248 -10.4432 20.6349 557991.3776 -6.0933 -6.0815 PRESSURE: 2469400 -218.285 84.0821 -108.058 84.083 -19.4964 -127.684 -108.057 -127.682 -94.1275 GPRESSURE: 2469400 -213.888 107.806 -155.21 14.1834 0.883441 -155.14 -16.6432 -132.969 -34.6534 PRESSAVG: 2469400 26.642 -18.4214 35.7505 -18.4214 -29.2067 -2.0195 35.7505 -2.01946 -51.1415 GPRESSAVG: 2469400 26.5637 -15.8975 34.7298 -21.2135 -27.517 -4.08267 35.4417 -1.53555 -52.1669 TIMING: 2469400 CPU: 7356.97, 0.00299457/step Wall: 7356.97, 0.00299457/step, 2.10501 hours remaining, 205.988281 MB of memory in use. ENERGY: 2469400 763.7988 2126.6286 1926.2393 114.7668 -205972.3037 17728.7480 0.0000 0.0000 34521.0606 -148791.0616 301.4810 -183312.1222 -148688.8391 301.1423 -110.6362 -82.5527 558864.0257 -17.9020 -17.7067 PRESSURE: 2469600 -367.216 -130.774 24.2035 -130.772 -274.267 32.1126 24.2037 32.1122 -189.343 GPRESSURE: 2469600 -341.501 -125.889 0.106467 -154.617 -213.08 -10.2171 5.30058 55.3212 -181.128 PRESSAVG: 2469600 9.5215 36.8486 -22.0812 36.8485 -103.881 1.22413 -22.0813 1.22414 82.0151 GPRESSAVG: 2469600 10.5738 35.9674 -20.8231 37.6018 -105.221 3.06435 -21.2916 -1.66899 82.6932 TIMING: 2469600 CPU: 7357.57, 0.00300363/step Wall: 7357.57, 0.00300363/step, 2.11122 hours remaining, 205.988281 MB of memory in use. ENERGY: 2469600 743.3283 2071.6829 1980.1420 120.8891 -205750.1796 17451.3193 0.0000 0.0000 34449.0278 -148933.7902 300.8519 -183382.8180 -148839.4778 300.8406 -276.9422 -245.2365 558957.3598 -4.1147 -3.9845 PRESSURE: 2469800 -33.665 205.252 -124.4 205.253 -69.9569 -25.008 -124.4 -25.0081 -3.77873 GPRESSURE: 2469800 6.59605 176.392 -108.044 133.113 -40.8502 -29.5875 -65.75 16.3748 35.4628 PRESSAVG: 2469800 30.2996 24.265 31.0464 24.265 -78.6947 10.2484 31.0463 10.2484 62.2011 GPRESSAVG: 2469800 30.5972 24.7799 30.2885 23.5169 -77.5033 9.72584 31.1468 11.0621 61.0825 TIMING: 2469800 CPU: 7358.17, 0.0029845/step Wall: 7358.17, 0.0029845/step, 2.09761 hours remaining, 205.988281 MB of memory in use. ENERGY: 2469800 741.0453 2113.9813 1951.1064 120.4087 -206036.8224 17740.6941 0.0000 0.0000 34347.6631 -149021.9234 299.9667 -183369.5865 -148933.2140 299.7129 -35.8002 0.4029 557173.9939 4.6020 4.7254 PRESSURE: 2470000 -21.168 76.587 112.798 76.587 -112.426 -52.2743 112.798 -52.2731 -72.897 GPRESSURE: 2470000 -22.1044 -37.3399 112.837 170.952 -58.879 -65.2576 167.444 -69.7135 -41.5497 PRESSAVG: 2470000 -52.7533 33.1789 13.0289 33.1789 -10.5787 -34.7724 13.0288 -34.7724 61.94 GPRESSAVG: 2470000 -52.6357 31.5112 12.7431 36.7803 -10.8018 -34.2888 12.407 -34.1106 61.669 TIMING: 2470000 CPU: 7358.77, 0.00297408/step Wall: 7358.77, 0.00297408/step, 2.09012 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: 2470000 733.6287 2081.8272 1966.8469 124.1685 -206193.2500 17817.5335 0.0000 0.0000 34382.7014 -149086.5438 300.2727 -183469.2452 -148988.2949 299.4347 -68.8305 -40.8444 558257.1483 -0.4640 -0.5895 PRESSURE: 2470200 -126.832 23.6692 16.9424 23.6701 -99.4735 -81.947 16.9419 -81.948 99.1064 GPRESSURE: 2470200 -52.9293 21.6732 111.188 22.501 -82.2241 -93.5076 -17.6984 -107.288 97.2648 PRESSAVG: 2470200 -31.5775 -7.85672 7.27489 -7.85674 -31.1161 -27.9624 7.27497 -27.9623 42.9961 GPRESSAVG: 2470200 -31.9198 -6.15637 8.56836 -10.3922 -30.517 -27.8816 6.07038 -28.8554 43.0041 TIMING: 2470200 CPU: 7359.36, 0.00299252/step Wall: 7359.36, 0.00299252/step, 2.10291 hours remaining, 205.988281 MB of memory in use. ENERGY: 2470200 754.7348 2097.2952 1983.2218 112.6724 -206122.1683 17649.0191 0.0000 0.0000 34380.4581 -149144.7669 300.2531 -183525.2250 -149052.9140 299.6835 -42.3997 -12.6295 557358.1781 -6.5658 -6.4776 PRESSURE: 2470400 -55.8739 120.987 -30.4167 120.987 42.0159 -9.11843 -30.4163 -9.11807 139.416 GPRESSURE: 2470400 22.971 108.906 -15.2719 108.379 -25.4724 -11.3129 -44.6204 33.3422 238.136 PRESSAVG: 2470400 -11.5056 53.8976 -19.8812 53.8977 -27.8051 -12.7232 -19.8812 -12.7233 74.8398 GPRESSAVG: 2470400 -11.7682 53.7482 -21.2519 55.1426 -27.7511 -12.6983 -17.1209 -12.9514 75.3314 TIMING: 2470400 CPU: 7359.96, 0.00298949/step Wall: 7359.96, 0.00298949/step, 2.10062 hours remaining, 205.988281 MB of memory in use. ENERGY: 2470400 735.8841 2075.7432 1995.3077 117.3059 -206244.8790 17872.1764 0.0000 0.0000 34271.8888 -149176.5729 299.3049 -183448.4617 -149077.5753 299.8334 41.8525 78.5447 558109.0596 11.8430 11.9373 PRESSURE: 2470600 -207.932 16.4561 22.2381 16.4546 -44.3124 6.63961 22.2393 6.64049 -377.532 GPRESSURE: 2470600 -190.496 66.9153 -2.47763 -37.3889 21.9586 50.9645 -32.4765 -6.8604 -363.713 PRESSAVG: 2470600 -62.4042 37.7584 -6.47789 37.7583 12.0598 -33.3893 -6.47793 -33.3892 42.9012 GPRESSAVG: 2470600 -62.2974 36.9302 -6.64684 37.5709 11.7291 -33.2858 -7.4332 -32.0416 42.4697 TIMING: 2470600 CPU: 7360.57, 0.00303375/step Wall: 7360.57, 0.00303375/step, 2.13155 hours remaining, 205.988281 MB of memory in use. ENERGY: 2470600 734.1967 2053.5980 1963.6664 115.7156 -205945.2395 17565.8110 0.0000 0.0000 34415.1925 -149097.0594 300.5564 -183512.2519 -148998.4367 300.1582 -209.9255 -177.4167 560149.2956 -2.4811 -2.6995 PRESSURE: 2470800 225.36 46.5849 -2.26359 46.5859 -136.965 67.1441 -2.26301 67.145 62.2345 GPRESSURE: 2470800 224.134 31.4577 73.5071 78.6305 -60.3416 10.3316 -37.3296 129.666 86.9805 PRESSAVG: 2470800 3.97275 57.4058 -1.94262 57.4057 -9.09364 18.4343 -1.94257 18.4344 37.5112 GPRESSAVG: 2470800 3.08521 56.9172 -0.492719 58.087 -8.82968 19.3353 -2.04997 18.2025 37.5718 TIMING: 2470800 CPU: 7361.17, 0.00298547/step Wall: 7361.17, 0.00298547/step, 2.09746 hours remaining, 205.988281 MB of memory in use. ENERGY: 2470800 741.3584 2071.8722 1987.5567 112.0582 -206410.3923 18060.2186 0.0000 0.0000 34281.7120 -149155.6161 299.3907 -183437.3281 -149069.0995 299.7305 50.2096 83.5910 558100.0500 10.7968 10.6091 PRESSURE: 2471000 -101.356 -12.8772 -54.9455 -12.8791 -190.201 142.145 -54.9453 142.145 -84.9591 GPRESSURE: 2471000 -71.2817 -66.0781 3.22942 -28.2841 -128.009 163.26 -73.4954 148.923 -73.9812 PRESSAVG: 2471000 -19.0596 26.362 8.58462 26.362 19.3771 61.7874 8.58459 61.7874 17.0055 GPRESSAVG: 2471000 -17.9311 26.5555 8.36541 26.3924 19.2825 61.1518 7.3264 61.2468 15.8642 TIMING: 2471000 CPU: 7361.76, 0.00299149/step Wall: 7361.76, 0.00299149/step, 2.10152 hours remaining, 205.988281 MB of memory in use. ENERGY: 2471000 748.2365 2065.8046 1925.7082 126.1593 -205879.5626 17586.8388 0.0000 0.0000 34305.2825 -149121.5327 299.5966 -183426.8151 -149019.5538 299.1086 -125.5054 -91.0906 559645.3966 5.7743 5.7385 PRESSURE: 2471200 84.991 -46.1785 133.675 -46.1788 -166.316 -49.0637 133.675 -49.0626 -152.204 GPRESSURE: 2471200 118.797 28.6879 204.937 -64.3059 -129.611 -68.1076 36.7328 8.92838 -122.249 PRESSAVG: 2471200 23.0163 13.3815 21.5037 13.3814 6.76876 28.4713 21.5037 28.4712 1.57995 GPRESSAVG: 2471200 22.0219 15.8566 20.9856 13.5446 6.75542 27.6082 21.6069 27.6495 2.56087 TIMING: 2471200 CPU: 7362.36, 0.00298034/step Wall: 7362.36, 0.00298034/step, 2.09352 hours remaining, 205.988281 MB of memory in use. ENERGY: 2471200 750.9733 2152.9561 1938.9920 112.4177 -206280.8780 17812.4202 0.0000 0.0000 34265.4641 -149247.6546 299.2488 -183513.1188 -149151.3157 299.6501 -77.8427 -44.3544 558443.1408 10.4550 10.4461 PRESSURE: 2471400 -158.668 -122.705 -138.885 -122.705 -133.189 44.284 -138.882 44.2824 -124.006 GPRESSURE: 2471400 -113.702 -67.9201 -36.0938 -167.06 -101.189 32.3538 -96.0959 28.7927 -93.0615 PRESSAVG: 2471400 -27.7733 99.2003 -3.70602 99.2002 -1.26981 -30.7718 -3.70605 -30.7719 26.4429 GPRESSAVG: 2471400 -27.2883 95.6678 -1.48256 98.2416 -1.0265 -30.763 -4.99372 -29.5138 25.7533 TIMING: 2471400 CPU: 7362.95, 0.00297398/step Wall: 7362.95, 0.00297398/step, 2.08889 hours remaining, 205.988281 MB of memory in use. ENERGY: 2471400 732.1482 2067.8011 1966.9693 115.4422 -206138.0018 17771.3092 0.0000 0.0000 34222.7271 -149261.6047 298.8756 -183484.3318 -149166.4584 299.1694 -138.6210 -102.6511 558957.2002 -0.8667 -0.8538 PRESSURE: 2471600 -121.605 20.7111 80.6485 20.7122 -255.52 -64.4587 80.6485 -64.4579 1.16756 GPRESSURE: 2471600 -91.9307 59.1187 24.8907 91.9227 -201.063 -46.0554 93.1127 -88.6514 -1.08386 PRESSAVG: 2471600 -9.72095 47.6141 73.3598 47.6141 22.0604 -57.4283 73.3598 -57.4283 -26.1209 GPRESSAVG: 2471600 -9.92712 48.4581 71.9917 47.9275 22.5699 -57.3295 76.8671 -57.2925 -26.0938 TIMING: 2471600 CPU: 7363.55, 0.00299914/step Wall: 7363.55, 0.00299914/step, 2.10639 hours remaining, 205.988281 MB of memory in use. ENERGY: 2471600 745.9774 2103.1585 1961.1061 104.3699 -206428.7152 17868.3931 0.0000 0.0000 34196.4295 -149449.2807 298.6459 -183645.7102 -149351.5946 299.3996 -125.3191 -98.0259 557924.4672 -4.5938 -4.4837 PRESSURE: 2471800 278.307 139.073 -35.3473 139.072 -88.5822 75.0851 -35.3462 75.0869 132.312 GPRESSURE: 2471800 315.813 170.458 -79.6217 199.776 -42.572 37.8532 -25.9587 118.256 143.297 PRESSAVG: 2471800 22.2769 48.7275 17.8843 48.7275 -39.3018 -17.2229 17.8844 -17.2228 13.1801 GPRESSAVG: 2471800 22.4943 49.6627 17.3906 49.1511 -39.5668 -17.5321 16.1236 -18.4117 13.3336 TIMING: 2471800 CPU: 7364.15, 0.00299148/step Wall: 7364.15, 0.00299148/step, 2.10085 hours remaining, 205.988281 MB of memory in use. ENERGY: 2471800 750.3143 2200.4616 1908.0061 117.3724 -206691.6124 18053.2374 0.0000 0.0000 34209.4140 -149452.8066 298.7593 -183662.2206 -149355.8824 299.0306 107.3456 138.8460 557791.7734 -1.2816 -1.2463 PRESSURE: 2472000 -74.1139 -54.1717 -19.686 -54.1725 -129.346 -162.268 -19.6872 -162.267 17.8307 GPRESSURE: 2472000 -81.2312 -116.398 36.2237 -50.5232 -47.1942 -161.605 -96.719 -117.073 47.6124 PRESSAVG: 2472000 -11.2381 -21.3748 -40.4791 -21.3748 -36.2561 -46.1493 -40.4791 -46.1493 -8.03578 GPRESSAVG: 2472000 -10.9931 -21.558 -40.437 -21.3414 -36.416 -47.4603 -39.4419 -42.7166 -7.8934 TIMING: 2472000 CPU: 7364.76, 0.00301751/step Wall: 7364.76, 0.00301751/step, 2.11896 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: 2472000 736.9967 2066.2273 1936.5643 114.0585 -206066.9455 17706.9982 0.0000 0.0000 34113.2742 -149392.8264 297.9197 -183506.1005 -149295.0945 298.3402 -61.8764 -26.9377 558557.3354 -18.5100 -18.4342 PRESSURE: 2472200 -161.143 18.5493 -7.43269 18.5484 -234.679 -163.811 -7.4334 -163.809 -342.361 GPRESSURE: 2472200 -166.688 46.1572 3.33318 33.3151 -182.383 -228.856 34.8503 -174.093 -292.941 PRESSAVG: 2472200 11.3901 -33.7629 -21.4064 -33.763 18.061 29.5643 -21.4063 29.5642 -15.2484 GPRESSAVG: 2472200 11.9226 -34.3199 -21.5455 -33.0009 17.8072 30.6707 -21.8783 28.1554 -14.9043 TIMING: 2472200 CPU: 7365.36, 0.00299375/step Wall: 7365.36, 0.00299375/step, 2.10211 hours remaining, 205.988281 MB of memory in use. ENERGY: 2472200 717.5155 2112.7180 1935.4172 116.5185 -206120.4953 17572.1677 0.0000 0.0000 34159.7805 -149506.3779 298.3259 -183666.1584 -149409.6730 298.6316 -246.0611 -214.0042 558947.7519 4.7342 4.9419 LDB: ============= START OF LOAD BALANCING ============== 7368.79 LDB: ============== END OF LOAD BALANCING =============== 7368.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7368.79 LDB: ============= START OF LOAD BALANCING ============== 7369.09 LDB: Largest compute 4821 load 0.026369 is 22.4% of average load 0.117967 LDB: Average compute 0.001715 is 1.5% of average load 0.117967 LDB: TIME 7369.09 LOAD: AVG 0.117967 MAX 0.206782 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.156 MB LDB: TIME 7369.1 LOAD: AVG 0.117967 MAX 0.206782 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.156 MB LDB: TIME 7369.1 LOAD: AVG 0.117967 MAX 0.206782 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.156 MB LDB: ============== END OF LOAD BALANCING =============== 7369.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7369.1 PRESSURE: 2472400 -24.3945 86.3876 -7.83808 86.3887 11.3617 -178.009 -7.83775 -178.01 96.1129 GPRESSURE: 2472400 -35.7639 33.8447 -18.6042 170.518 69.2138 -191.026 -22.0388 -264.743 140.602 PRESSAVG: 2472400 -62.1698 3.33791 30.7435 3.33793 -13.5679 -64.2022 30.7435 -64.202 91.4462 GPRESSAVG: 2472400 -62.4421 3.66052 30.3574 1.37253 -13.106 -63.823 31.558 -67.5004 91.4899 TIMING: 2472400 CPU: 7365.97, 0.00308278/step Wall: 7365.97, 0.00308278/step, 2.16445 hours remaining, 205.921875 MB of memory in use. ENERGY: 2472400 731.3101 2145.8927 1925.4587 95.2578 -206658.4809 18047.6187 0.0000 0.0000 34174.4561 -149538.4867 298.4540 -183712.9428 -149441.1360 298.4589 27.6934 58.0174 557768.0356 5.2362 5.3139 PRESSURE: 2472600 -283.486 41.0859 -76.9038 41.085 -172.464 -20.9709 -76.9033 -20.9704 -177.577 GPRESSURE: 2472600 -244.562 34.5166 -47.8888 -20.1829 -165.123 -6.5309 -79.327 -8.89851 -127.756 PRESSAVG: 2472600 -14.5858 -16.529 -14.6462 -16.529 -9.30418 -44.9387 -14.6462 -44.9386 49.1899 GPRESSAVG: 2472600 -14.7937 -16.5939 -14.6579 -15.7061 -9.91656 -47.1097 -15.0685 -40.3901 50.3759 TIMING: 2472600 CPU: 7366.58, 0.00301826/step Wall: 7366.58, 0.00301826/step, 2.11899 hours remaining, 205.921875 MB of memory in use. ENERGY: 2472600 720.7284 2083.3482 1911.4002 116.1225 -206202.0758 17474.1485 0.0000 0.0000 34344.3412 -149551.9868 299.9377 -183896.3280 -149464.0132 298.6051 -211.1756 -179.1469 558265.0723 8.4333 8.5552 PRESSURE: 2472800 -252.929 -56.3953 -185.88 -56.3956 -102.746 80.5878 -185.88 80.5879 111.785 GPRESSURE: 2472800 -208.674 -70.5941 -148.842 -93.5156 -38.6978 78.6254 -145.021 39.8444 110.66 PRESSAVG: 2472800 -12.6426 7.44242 -52.6601 7.4424 13.9971 -62.2678 -52.6601 -62.2678 16.3919 GPRESSAVG: 2472800 -11.9648 8.78951 -52.2668 7.59799 13.8768 -62.0708 -53.8053 -64.6508 16.107 TIMING: 2472800 CPU: 7367.17, 0.00298085/step Wall: 7367.17, 0.00298085/step, 2.09256 hours remaining, 205.921875 MB of memory in use. ENERGY: 2472800 782.8720 2077.8460 1935.2077 103.9708 -206729.4225 17993.0592 0.0000 0.0000 34311.2422 -149525.2246 299.6486 -183836.4668 -149428.1820 298.6885 -81.2966 -45.5707 556533.8309 5.9155 6.0063 PRESSURE: 2473000 137.008 33.8737 -81.6294 33.8733 16.1057 -48.8893 -81.6297 -48.8908 32.3767 GPRESSURE: 2473000 161.237 77.6674 -55.1144 14.2447 98.3248 -65.0699 -76.9497 -77.7177 18.655 PRESSAVG: 2473000 -28.425 -38.2205 -43.9662 -38.2205 -40.3176 -20.502 -43.9663 -20.5021 52.4069 GPRESSAVG: 2473000 -28.7916 -38.2705 -46.4013 -39.3084 -39.8276 -20.1467 -42.1955 -20.7074 52.5416 TIMING: 2473000 CPU: 7367.77, 0.0029852/step Wall: 7367.77, 0.0029852/step, 2.09544 hours remaining, 205.921875 MB of memory in use. ENERGY: 2473000 748.5595 2071.8172 1953.8247 113.3451 -206724.1470 18091.3884 0.0000 0.0000 34330.9182 -149414.2938 299.8204 -183745.2120 -149313.8031 298.5615 61.8301 92.7390 556630.4693 -5.4452 -5.3592 PRESSURE: 2473200 -78.2785 28.3616 -139.436 28.3609 222.268 5.14314 -139.436 5.14319 -5.26417 GPRESSURE: 2473200 -59.7175 58.3412 -114.231 -3.42908 227.869 -44.4963 -168.367 2.08351 64.1229 PRESSAVG: 2473200 -14.6279 21.1245 19.2516 21.1246 26.0435 -24.9033 19.2516 -24.9032 39.7722 GPRESSAVG: 2473200 -14.2351 21.7147 20.0425 20.8259 26.741 -24.9138 19.1327 -24.0853 38.4669 TIMING: 2473200 CPU: 7368.36, 0.00294264/step Wall: 7368.36, 0.00294264/step, 2.06541 hours remaining, 205.921875 MB of memory in use. ENERGY: 2473200 744.4094 2082.9852 1950.8303 115.1678 -206565.1590 18068.5151 0.0000 0.0000 34069.0782 -149534.1730 297.5337 -183603.2512 -149443.2085 298.5261 46.2418 77.4246 556331.5439 17.0626 16.9909 PRESSURE: 2473400 200.095 156.159 -148.208 156.158 190.622 -8.71448 -148.207 -8.71362 -234.16 GPRESSURE: 2473400 240.191 208.203 -78.0334 185.637 205.043 -12.2167 -156.594 23.465 -193.147 PRESSAVG: 2473400 43.9633 19.4241 -45.0107 19.424 23.5399 24.5611 -45.0107 24.561 -76.0569 GPRESSAVG: 2473400 44.1526 19.5943 -42.5677 18.9516 23.6884 26.5145 -46.523 22.8305 -75.8774 TIMING: 2473400 CPU: 7368.95, 0.00294251/step Wall: 7368.95, 0.00294251/step, 2.06515 hours remaining, 205.921875 MB of memory in use. ENERGY: 2473400 718.8883 2121.2735 1920.0718 124.1393 -206763.9979 18025.6713 0.0000 0.0000 34262.5531 -149591.4007 299.2234 -183853.9538 -149500.9037 298.8646 52.1856 84.0289 556245.3055 -2.8512 -2.6788 PRESSURE: 2473600 192.006 9.95763 28.746 9.95658 53.8868 -26.4239 28.7464 -26.4238 28.6127 GPRESSURE: 2473600 181.48 53.9149 108.802 -11.4128 94.0465 -76.8059 48.0428 -29.1852 96.5758 PRESSAVG: 2473600 33.9269 37.1722 -41.2329 37.1722 27.954 -2.52176 -41.2328 -2.52188 -35.7401 GPRESSAVG: 2473600 33.9418 35.1768 -40.3585 39.8556 27.6291 -4.24573 -40.5962 -2.51807 -35.596 TIMING: 2473600 CPU: 7369.54, 0.0029672/step Wall: 7369.54, 0.0029672/step, 2.08231 hours remaining, 205.921875 MB of memory in use. ENERGY: 2473600 705.7478 2061.6752 1967.3115 110.9830 -206757.6875 17987.4188 0.0000 0.0000 34423.8726 -149500.6786 300.6322 -183924.5512 -149404.8921 298.4960 91.5017 124.0341 557070.7958 8.7136 8.6583 PRESSURE: 2473800 -188.774 49.6203 30.6268 49.6208 -152.627 226.375 30.6272 226.374 -122.468 GPRESSURE: 2473800 -184.16 68.7649 73.7585 91.1269 -100.696 209.233 115.275 146.91 -82.6957 PRESSAVG: 2473800 44.9694 9.16688 26.2302 9.16691 33.847 -4.60829 26.2302 -4.60833 -28.3622 GPRESSAVG: 2473800 45.3626 10.0946 23.872 8.9232 32.8048 -3.52892 27.108 -4.66103 -27.9746 TIMING: 2473800 CPU: 7370.13, 0.0029785/step Wall: 7370.13, 0.0029785/step, 2.09008 hours remaining, 205.921875 MB of memory in use. ENERGY: 2473800 775.1594 2092.5702 1957.4620 106.9254 -205909.7061 17581.6553 0.0000 0.0000 34022.4687 -149373.4651 297.1267 -183395.9338 -149282.9758 299.1196 -154.6228 -122.5172 559453.2891 16.8181 16.7309 PRESSURE: 2474000 91.3241 151.742 123.548 151.743 -86.1359 -37.1642 123.549 -37.1635 -128.882 GPRESSURE: 2474000 95.6161 121.088 171.077 180.103 -15.3106 47.4238 4.23507 -40.6734 -109.159 PRESSAVG: 2474000 21.4782 6.15227 -26.6784 6.15218 21.4903 23.702 -26.6784 23.7021 -45.0399 GPRESSAVG: 2474000 20.2408 5.59334 -26.3738 7.23298 22.7983 25.3005 -28.8663 22.3687 -44.7336 TIMING: 2474000 CPU: 7370.73, 0.00296964/step Wall: 7370.73, 0.00296964/step, 2.0837 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: 2474000 764.4787 2100.7564 1932.4573 113.1220 -206653.0197 18026.4325 0.0000 0.0000 34183.9063 -149531.8665 298.5366 -183715.7727 -149429.0507 299.2580 -41.2314 -9.6179 558057.7998 -0.6905 -0.5648 PRESSURE: 2474200 -44.8201 91.9623 131.192 91.9632 -92.5701 7.38861 131.193 7.38899 42.1706 GPRESSURE: 2474200 20.9729 130.458 35.5143 59.9728 -118.887 -54.0822 157.298 40.4578 100.785 PRESSAVG: 2474200 -14.9165 75.6312 18.9802 75.6311 49.9054 -4.98417 18.9802 -4.984 -19.8006 GPRESSAVG: 2474200 -14.4125 76.4066 18.6987 73.7039 50.1672 -8.18397 21.6741 -2.4488 -20.5131 TIMING: 2474200 CPU: 7371.33, 0.00300278/step Wall: 7371.33, 0.00300278/step, 2.10679 hours remaining, 205.921875 MB of memory in use. ENERGY: 2474200 773.2553 2059.6440 1908.4739 105.9783 -206356.6760 17885.9537 0.0000 0.0000 34189.7322 -149433.6386 298.5874 -183623.3708 -149337.7712 298.4961 -31.7399 0.9570 557539.2844 5.0628 5.0805 PRESSURE: 2474400 -172.543 -153.27 -4.1835 -153.27 54.3732 -0.792632 -4.18455 -0.793449 -89.0141 GPRESSURE: 2474400 -109.007 -127.359 -60.0412 -169.049 46.8025 61.3689 -16.523 -96.3636 -51.5376 PRESSAVG: 2474400 3.85742 25.2105 11.2871 25.2106 -21.5441 7.97693 11.287 7.97688 50.7494 GPRESSAVG: 2474400 4.0682 23.0625 11.0619 26.9358 -22.6565 11.2245 9.1479 6.33121 51.5656 TIMING: 2474400 CPU: 7371.93, 0.00302885/step Wall: 7371.93, 0.00302885/step, 2.12491 hours remaining, 205.921875 MB of memory in use. ENERGY: 2474400 707.5834 2145.4670 1925.0857 103.1379 -206237.8200 17625.3691 0.0000 0.0000 34273.9761 -149457.2007 299.3232 -183731.1768 -149359.4147 298.7375 -69.0613 -37.9142 557130.6052 11.0209 10.9924 PRESSURE: 2474600 -106.854 -61.1223 160.225 -61.1232 -201.604 156.19 160.225 156.191 -115.238 GPRESSURE: 2474600 -95.2027 -10.5902 147.742 -140.948 -185.457 152.689 113.185 147.013 -42.1461 PRESSAVG: 2474600 -35.9895 -7.51063 -10.9107 -7.51067 -34.9085 25.754 -10.9107 25.7541 52.8617 GPRESSAVG: 2474600 -34.297 -6.5489 -11.12 -6.82335 -35.2623 21.8316 -8.14797 28.087 52.1556 TIMING: 2474600 CPU: 7372.54, 0.00300161/step Wall: 7372.54, 0.00300161/step, 2.10563 hours remaining, 205.921875 MB of memory in use. ENERGY: 2474600 739.0952 2107.2769 1966.4297 135.8404 -206255.6748 17616.8110 0.0000 0.0000 34269.4844 -149420.7372 299.2839 -183690.2216 -149329.2083 298.5392 -141.2323 -107.6019 557535.2642 -6.0121 -5.8012 PRESSURE: 2474800 -41.158 -25.6033 95.9919 -25.6026 -173.461 -15.3045 95.9915 -15.3036 -192.552 GPRESSURE: 2474800 -9.53368 -85.8991 167.473 -38.1362 -174.971 -84.0531 56.7819 36.4546 -128.997 PRESSAVG: 2474800 25.1855 -37.2264 15.935 -37.2264 3.92667 46.1099 15.9349 46.1099 -56.8585 GPRESSAVG: 2474800 23.6158 -36.1976 17.0558 -39.2957 5.25104 45.7653 13.9496 45.2773 -56.7521 TIMING: 2474800 CPU: 7373.14, 0.00301793/step Wall: 7373.14, 0.00301793/step, 2.11691 hours remaining, 205.921875 MB of memory in use. ENERGY: 2474800 758.8317 2110.2305 1955.1187 105.5352 -206289.4044 17549.8164 0.0000 0.0000 34226.1825 -149583.6894 298.9058 -183809.8719 -149494.6098 299.0274 -135.7235 -104.5003 556664.8162 -9.2488 -9.2951 PRESSURE: 2475000 126.973 -61.7199 48.5967 -61.7208 114.555 -37.0077 48.5963 -37.0089 -45.5002 GPRESSURE: 2475000 149.56 -92.5576 78.6692 14.7777 137.955 18.994 60.2637 -39.4962 7.17147 PRESSAVG: 2475000 40.9942 -56.8333 3.62807 -56.8333 -2.59066 -29.8496 3.62801 -29.8497 -36.1376 GPRESSAVG: 2475000 42.2053 -57.2801 4.49178 -57.8377 -3.77719 -28.0235 0.804383 -29.6037 -36.3687 TIMING: 2475000 CPU: 7373.74, 0.00301231/step Wall: 7373.74, 0.00301231/step, 2.1128 hours remaining, 205.921875 MB of memory in use. ENERGY: 2475000 735.2321 2076.3015 1964.2072 111.7318 -206784.5993 18066.1379 0.0000 0.0000 34140.2361 -149690.7528 298.1552 -183830.9889 -149591.5097 298.3234 65.3427 98.2290 556946.3733 0.7553 0.6865 PRESSURE: 2475200 -74.3218 -28.4703 -18.1041 -28.4708 -183.157 -118.403 -18.1055 -118.402 102.397 GPRESSURE: 2475200 -62.5778 -13.9473 29.7743 -18.5278 -159.301 -95.0318 -57.225 -155.125 153.389 PRESSAVG: 2475200 2.22763 -26.0276 11.1059 -26.0276 21.6663 53.5151 11.1058 53.5151 -8.17813 GPRESSAVG: 2475200 1.21315 -25.0101 7.65446 -24.774 22.0919 52.6721 15.2479 51.8701 -7.76486 TIMING: 2475200 CPU: 7374.34, 0.00299929/step Wall: 7374.34, 0.00299929/step, 2.1035 hours remaining, 205.921875 MB of memory in use. ENERGY: 2475200 759.6122 2085.9180 1952.8684 117.0145 -206436.3764 17769.9317 0.0000 0.0000 34197.1666 -149553.8652 298.6524 -183751.0318 -149467.3052 298.4453 -51.6941 -22.8301 557356.0869 5.2386 5.1801 PRESSURE: 2475400 -435.207 -76.1741 2.15442 -76.1736 -269.46 -11.4581 2.15464 -11.4575 -217.467 GPRESSURE: 2475400 -395.241 -91.7956 -21.3658 -90.584 -204.455 7.12762 104.224 17.7338 -224.365 PRESSAVG: 2475400 0.847183 28.3294 57.5281 28.3293 -52.6951 9.26556 57.5281 9.26564 28.1937 GPRESSAVG: 2475400 0.144206 28.3964 58.2914 30.078 -52.4029 8.33101 56.654 11.5367 28.6721 TIMING: 2475400 CPU: 7374.94, 0.00299633/step Wall: 7374.94, 0.00299633/step, 2.10126 hours remaining, 205.921875 MB of memory in use. ENERGY: 2475400 730.2868 2071.2385 1957.1988 119.6024 -205876.8316 17324.8179 0.0000 0.0000 34118.2595 -149555.4278 297.9632 -183673.6873 -149459.8149 298.5491 -307.3780 -274.6870 556983.7783 -7.8847 -7.8622 PRESSURE: 2475600 -114.279 -121.11 37.3512 -121.11 -65.7942 -23.645 37.3523 -23.6457 4.38889 GPRESSURE: 2475600 -13.824 -150.064 79.704 -78.1859 -30.4872 -47.2149 112.976 -90.1661 -31.316 PRESSAVG: 2475600 -56.1094 -22.0674 64.3784 -22.0676 16.0167 -20.0628 64.3784 -20.0628 12.7862 GPRESSAVG: 2475600 -56.0771 -21.6531 65.3175 -23.3703 16.0568 -17.2885 63.5803 -22.679 12.7359 TIMING: 2475600 CPU: 7375.54, 0.00301784/step Wall: 7375.54, 0.00301784/step, 2.11618 hours remaining, 205.921875 MB of memory in use. ENERGY: 2475600 731.7446 2105.2614 1920.0877 111.4526 -206236.4112 17733.0024 0.0000 0.0000 34203.0675 -149431.7950 298.7039 -183634.8625 -149344.2850 298.3100 -58.5613 -25.2091 556782.0286 -9.1022 -9.0948 PRESSURE: 2475800 -9.60038 -43.6059 -71.7102 -43.6054 60.7581 -18.2386 -71.71 -18.2387 -115.503 GPRESSURE: 2475800 -65.3774 -25.2503 5.40378 -0.854841 138.268 -19.3417 -26.6524 -41.7329 -31.1391 PRESSAVG: 2475800 -7.46537 0.677889 -41.9924 0.677823 25.8347 34.0327 -41.9924 34.0327 -5.71388 GPRESSAVG: 2475800 -6.2598 0.151452 -41.2853 0.595773 25.8662 34.2577 -41.0133 31.6953 -6.84679 TIMING: 2475800 CPU: 7376.15, 0.00302391/step Wall: 7376.15, 0.00302391/step, 2.12026 hours remaining, 205.921875 MB of memory in use. ENERGY: 2475800 700.2861 2081.2628 1945.5899 119.0707 -206231.2536 17758.3517 0.0000 0.0000 34177.0435 -149449.6489 298.4766 -183626.6924 -149353.9217 298.4100 -21.4484 13.9172 558638.4254 4.2185 4.2532 PRESSURE: 2476000 -76.9251 -7.67094 -140.677 -7.66987 -50.9697 38.8252 -140.676 38.8252 -34.389 GPRESSURE: 2476000 -72.936 -1.21207 -198.525 -111.241 -3.49276 55.1833 -109.465 12.4836 4.35795 PRESSAVG: 2476000 -15.0172 -52.4667 -31.3273 -52.4667 -3.68186 -9.12468 -31.3274 -9.12468 35.7214 GPRESSAVG: 2476000 -15.1745 -51.5274 -33.3017 -53.9826 -3.90222 -9.94888 -30.3555 -6.46322 36.2246 TIMING: 2476000 CPU: 7376.75, 0.00299019/step Wall: 7376.75, 0.00299019/step, 2.09646 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: 2476000 722.3066 2057.7586 1935.7295 101.6927 -206319.2075 17799.5188 0.0000 0.0000 34237.7999 -149464.4013 299.0072 -183702.2013 -149371.0387 298.1268 -54.0946 -24.0236 558153.5011 5.6741 5.7159 PRESSURE: 2476200 81.5181 -49.3161 -192.782 -49.3165 -87.7456 -83.0063 -192.781 -83.0083 131.833 GPRESSURE: 2476200 92.9916 -44.3396 -176.826 -65.4523 -68.7692 -27.1292 -156.528 -73.5233 201.339 PRESSAVG: 2476200 -26.3916 -82.2677 -14.7645 -82.2677 14.3768 -72.7939 -14.7646 -72.7938 -1.06167 GPRESSAVG: 2476200 -26.4375 -82.5461 -12.5216 -79.7585 15.7966 -72.6702 -16.8599 -73.7271 -2.51762 TIMING: 2476200 CPU: 7377.35, 0.00303482/step Wall: 7377.35, 0.00303482/step, 2.12758 hours remaining, 205.921875 MB of memory in use. ENERGY: 2476200 728.0511 2106.1860 1918.5588 111.9272 -206284.0160 18010.6330 0.0000 0.0000 34049.6390 -149359.0210 297.3640 -183408.6600 -149267.7900 298.6188 41.8686 75.1872 559105.5577 -4.3588 -4.3862 LDB: ============= START OF LOAD BALANCING ============== 7380.78 LDB: ============== END OF LOAD BALANCING =============== 7380.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7380.79 LDB: ============= START OF LOAD BALANCING ============== 7381.08 LDB: Largest compute 4821 load 0.024959 is 21.2% of average load 0.117952 LDB: Average compute 0.001721 is 1.5% of average load 0.117952 LDB: TIME 7381.09 LOAD: AVG 0.117952 MAX 0.201674 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.949 MB LDB: TIME 7381.09 LOAD: AVG 0.117952 MAX 0.201674 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.949 MB LDB: TIME 7381.09 LOAD: AVG 0.117952 MAX 0.201674 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.949 MB LDB: ============== END OF LOAD BALANCING =============== 7381.09 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7381.09 PRESSURE: 2476400 -85.8644 23.6212 114.197 23.6202 -156.247 -166.072 114.2 -166.073 15.7525 GPRESSURE: 2476400 -91.2516 145.891 76.5379 -80.4592 -154.646 -156.103 70.7109 -153.484 116.833 PRESSAVG: 2476400 107.925 -32.4604 20.3868 -32.4604 -19.1912 -21.8656 20.3868 -21.8656 -108.375 GPRESSAVG: 2476400 107.432 -32.0565 19.8537 -31.919 -20.7083 -22.1296 20.6284 -21.5625 -106.424 TIMING: 2476400 CPU: 7377.96, 0.00305107/step Wall: 7377.96, 0.00305107/step, 2.1388 hours remaining, 206.496094 MB of memory in use. ENERGY: 2476400 741.7028 2094.9037 1920.6512 110.7834 -206430.1948 17889.8616 0.0000 0.0000 34277.0445 -149395.2476 299.3500 -183672.2921 -149296.2166 298.7274 -75.4529 -43.0216 559737.1301 -6.5471 -6.5665 PRESSURE: 2476600 88.6638 -69.358 -101.952 -69.3579 -138.827 -35.0135 -101.953 -35.0133 249.232 GPRESSURE: 2476600 125.461 -74.5149 -39.7496 -162.935 -87.7727 -26.7092 -101.613 -36.7723 256.489 PRESSAVG: 2476600 6.33454 -1.23518 -34.4676 -1.2351 -23.0354 -28.2951 -34.4677 -28.295 50.0354 GPRESSAVG: 2476600 6.39812 -2.29631 -33.4924 -1.75317 -22.9702 -29.4216 -35.6827 -29.0368 50.0386 TIMING: 2476600 CPU: 7378.56, 0.00297705/step Wall: 7378.56, 0.00297705/step, 2.08674 hours remaining, 206.566406 MB of memory in use. ENERGY: 2476600 748.4825 2163.7439 1929.0312 108.7191 -206773.1822 18168.7990 0.0000 0.0000 34195.7780 -149458.6284 298.6402 -183654.4064 -149359.8590 298.2515 66.3563 98.0590 558819.7236 11.1115 11.1555 PRESSURE: 2476800 18.0817 -67.8201 -39.9319 -67.8192 261.938 77.4362 -39.9317 77.4376 -201.606 GPRESSURE: 2476800 41.9837 -128.123 -6.00538 46.712 278.767 62.1645 9.33166 116.591 -153.365 PRESSAVG: 2476800 0.503887 -35.03 -21.8929 -35.0299 18.1542 -34.6209 -21.8929 -34.6209 3.90822 GPRESSAVG: 2476800 0.755588 -34.2317 -20.4271 -34.8236 18.589 -35.1585 -22.8051 -32.6849 3.37675 TIMING: 2476800 CPU: 7379.15, 0.00297659/step Wall: 7379.15, 0.00297659/step, 2.08626 hours remaining, 206.566406 MB of memory in use. ENERGY: 2476800 719.0119 2098.0744 1953.1545 121.2579 -206292.8645 17731.8612 0.0000 0.0000 34334.6169 -149334.8877 299.8527 -183669.5046 -149226.9843 298.7546 26.1377 55.7953 558110.5424 7.5221 7.5738 PRESSURE: 2477000 -112.34 -11.7534 124.32 -11.7542 -25.3346 -213.551 124.321 -213.55 78.079 GPRESSURE: 2477000 -52.0333 -12.653 168.242 13.8606 36.3196 -248.144 116.521 -150.475 55.1393 PRESSAVG: 2477000 -20.4461 -36.9154 -40.1687 -36.9155 2.35805 -1.80607 -40.1686 -1.80605 19.6257 GPRESSAVG: 2477000 -20.3167 -36.3438 -42.3055 -36.1656 1.79502 -0.829705 -38.9965 -2.38373 19.4463 TIMING: 2477000 CPU: 7379.75, 0.00296114/step Wall: 7379.75, 0.00296114/step, 2.07527 hours remaining, 206.566406 MB of memory in use. ENERGY: 2477000 773.5311 2115.2651 1967.7604 109.2790 -206572.8379 17891.9902 0.0000 0.0000 34415.4562 -149299.5560 300.5587 -183715.0122 -149206.6647 298.9337 -19.8651 13.1419 558153.4599 0.5126 0.3082 PRESSURE: 2477200 82.8115 -47.2628 35.7644 -47.2627 12.5448 -76.0033 35.7637 -76.0042 -195.582 GPRESSURE: 2477200 40.3002 -52.4618 93.8517 -82.2381 74.5014 3.55908 -4.33598 -37.0643 -117.179 PRESSAVG: 2477200 75.2471 19.4497 62.13 19.4499 13.859 -45.5023 62.13 -45.5023 -53.8954 GPRESSAVG: 2477200 75.0712 19.6388 60.6751 18.5536 14.0337 -44.2605 61.8013 -48.6637 -54.4874 TIMING: 2477200 CPU: 7380.34, 0.0029781/step Wall: 7380.34, 0.0029781/step, 2.08699 hours remaining, 206.566406 MB of memory in use. ENERGY: 2477200 754.2743 2134.6491 1923.0447 118.2310 -206725.2486 17861.5248 0.0000 0.0000 34379.2950 -149554.2296 300.2429 -183933.5246 -149458.6919 299.3602 -33.4086 -0.7923 558054.1269 11.7369 11.5391 PRESSURE: 2477400 -220.71 16.5274 -16.3816 16.5254 170.817 -124.43 -16.3822 -124.43 -305.437 GPRESSURE: 2477400 -173.638 -17.0203 -46.7052 18.0678 135.632 -112.35 62.512 -125.544 -234.632 PRESSAVG: 2477400 8.50836 25.598 21.983 25.5981 85.5308 -3.89485 21.9829 -3.89489 -85.0303 GPRESSAVG: 2477400 9.27452 26.0584 22.6765 23.388 85.4489 -3.58312 24.4545 -2.49934 -86.6996 TIMING: 2477400 CPU: 7380.94, 0.00299025/step Wall: 7380.94, 0.00299025/step, 2.09533 hours remaining, 206.566406 MB of memory in use. ENERGY: 2477400 728.4536 2103.4175 1952.9244 111.2506 -206006.2923 17588.1214 0.0000 0.0000 33912.4366 -149609.6882 296.1657 -183522.1249 -149508.8490 298.2756 -118.4434 -90.8794 558648.0529 3.0029 2.6746 PRESSURE: 2477600 -402.635 38.2081 117.18 38.2081 149.926 33.8294 117.18 33.83 119.134 GPRESSURE: 2477600 -329.133 -38.2172 167.494 81.2237 190.305 45.5448 156.315 -73.4154 96.6785 PRESSAVG: 2477600 -80.3773 -31.7986 11.2646 -31.7986 39.1493 16.4159 11.2645 16.4159 45.5252 GPRESSAVG: 2477600 -81.3924 -32.2882 11.2828 -30.3909 38.2114 14.8035 10.8393 18.8522 47.3445 TIMING: 2477600 CPU: 7381.53, 0.00297117/step Wall: 7381.53, 0.00297117/step, 2.0818 hours remaining, 206.566406 MB of memory in use. ENERGY: 2477600 765.5481 2146.9529 1953.2379 106.2750 -206127.5851 17726.3909 0.0000 0.0000 33982.1354 -149447.0450 296.7744 -183429.1804 -149354.3756 298.0237 -44.5248 -14.0498 557197.2550 1.4324 1.3878 PRESSURE: 2477800 -204.795 -7.11285 2.613 -7.11241 -211.005 174.352 2.61126 174.351 -95.6184 GPRESSURE: 2477800 -154.015 -101.392 45.2713 91.5609 -194.788 174.276 68.0585 185.286 -52.8263 PRESSAVG: 2477800 3.78921 23.6691 50.486 23.6692 -12.1037 4.21608 50.486 4.21604 12.29 GPRESSAVG: 2477800 5.25665 23.7437 50.6288 26.0616 -12.7171 5.5745 49.1524 1.57939 11.1631 TIMING: 2477800 CPU: 7382.13, 0.00296851/step Wall: 7382.13, 0.00296851/step, 2.07977 hours remaining, 206.566406 MB of memory in use. ENERGY: 2477800 760.5328 2092.3118 1939.0394 115.2344 -206079.0018 17680.5573 0.0000 0.0000 34333.3329 -149157.9932 299.8415 -183491.3260 -149061.4163 298.8598 -170.4730 -133.8765 557777.1073 1.3252 1.2342 PRESSURE: 2478000 -117.03 31.106 -182.66 31.1068 -41.1347 -7.70383 -182.662 -7.70442 -54.5252 GPRESSURE: 2478000 -62.0644 47.1498 -125.359 64.0906 -39.2624 -69.3605 -198.08 68.5508 -22.3113 PRESSAVG: 2478000 -16.3249 44.1134 14.7201 44.1133 -9.00971 94.3041 14.7201 94.3041 81.6408 GPRESSAVG: 2478000 -17.4633 44.9804 14.1037 41.511 -9.18645 93.3893 14.9904 96.3714 81.5923 TIMING: 2478000 CPU: 7382.72, 0.00294681/step Wall: 7382.72, 0.00294681/step, 2.06441 hours remaining, 206.566406 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: 2478000 727.4316 2127.1673 1961.2972 119.0348 -206109.7981 17631.2382 0.0000 0.0000 34360.7500 -149182.8789 300.0810 -183543.6289 -149089.3466 299.8986 -70.8967 -41.2127 558153.6096 18.7687 18.3142 PRESSURE: 2478200 64.3375 57.8575 -158.796 57.8574 -228.067 55.8829 -158.796 55.8822 -70.2737 GPRESSURE: 2478200 60.9598 138.819 -94.956 -16.8635 -153.713 51.8404 -166.541 -3.5301 -47.4559 PRESSAVG: 2478200 47.3998 20.913 -4.85215 20.9129 84.4576 16.6349 -4.85217 16.635 -100.433 GPRESSAVG: 2478200 46.2914 19.398 -3.1487 21.6825 84.4087 16.8401 -5.60083 16.8815 -98.9246 TIMING: 2478200 CPU: 7383.3, 0.00293386/step Wall: 7383.3, 0.00293386/step, 2.05517 hours remaining, 206.566406 MB of memory in use. ENERGY: 2478200 735.3975 2082.0700 1936.9485 108.5602 -206034.4070 17681.9998 0.0000 0.0000 34300.9757 -149188.4553 299.5590 -183489.4310 -149087.2291 299.5960 -78.0009 -46.7365 558347.8781 10.4748 10.5918 PRESSURE: 2478400 45.5306 -117.32 152.868 -117.32 -20.0977 102.965 152.87 102.965 76.7532 GPRESSURE: 2478400 95.2876 -191.042 184.961 -62.6066 -2.93808 150.815 126.786 104.435 95.7704 PRESSAVG: 2478400 19.2353 -36.9544 25.7593 -36.9545 -51.7662 63.4979 25.7592 63.4979 -39.059 GPRESSAVG: 2478400 19.6934 -37.7262 24.9111 -36.5886 -50.3857 64.4108 26.1631 62.0919 -40.4271 TIMING: 2478400 CPU: 7383.9, 0.00298286/step Wall: 7383.9, 0.00298286/step, 2.08933 hours remaining, 206.566406 MB of memory in use. ENERGY: 2478400 733.6324 2160.5813 1946.0166 101.3413 -206355.1070 17751.5477 0.0000 0.0000 34422.2063 -149239.7814 300.6177 -183661.9877 -149151.4542 298.5351 34.0620 62.7066 556868.5699 -23.8633 -23.7065 PRESSURE: 2478600 -79.0789 -2.81199 57.8823 -2.81156 61.4575 2.91738 57.8811 2.91655 -151.936 GPRESSURE: 2478600 3.91467 28.4237 78.6051 -0.867822 34.0032 12.8733 -14.83 -44.4277 -119.188 PRESSAVG: 2478600 9.24002 -18.1939 -1.04581 -18.1939 25.9362 6.34862 -1.04582 6.34859 -31.8715 GPRESSAVG: 2478600 9.13637 -18.1225 -0.514938 -19.2039 26.2806 4.26263 -2.38321 6.40747 -31.6784 TIMING: 2478600 CPU: 7384.5, 0.0029894/step Wall: 7384.5, 0.0029894/step, 2.09374 hours remaining, 206.566406 MB of memory in use. ENERGY: 2478600 777.3605 2115.6267 1947.3060 125.2631 -206092.4878 17742.6370 0.0000 0.0000 34032.4454 -149351.8490 297.2138 -183384.2944 -149259.8394 299.6949 -56.5192 -27.0899 556314.1230 1.1016 1.2462 PRESSURE: 2478800 -362.724 -12.5164 -159.497 -12.517 -52.1585 -60.1595 -159.497 -60.1589 97.4018 GPRESSURE: 2478800 -310.345 86.072 -96.8873 -22.1974 -27.1061 14.8054 -162.223 -67.1292 109.248 PRESSAVG: 2478800 1.49853 38.1064 54.5289 38.1063 99.8158 32.8051 54.5289 32.8051 -73.7237 GPRESSAVG: 2478800 1.65174 41.9903 55.8089 37.2492 100.117 34.5723 55.9765 33.6136 -74.0896 TIMING: 2478800 CPU: 7385.1, 0.00298028/step Wall: 7385.1, 0.00298028/step, 2.08719 hours remaining, 206.566406 MB of memory in use. ENERGY: 2478800 769.9142 2110.7017 1954.4077 108.4978 -206287.5889 17811.4030 0.0000 0.0000 34202.7180 -149329.9466 298.7008 -183532.6646 -149234.9767 299.1404 -105.8268 -76.0677 558208.1382 9.1969 9.2264 PRESSURE: 2479000 -23.9933 -28.6502 -20.4056 -28.6487 -134.071 84.4286 -20.4051 84.431 -142.035 GPRESSURE: 2479000 34.0549 -46.9709 7.87163 -34.9682 -123.562 120.359 -5.89025 130.469 -117.553 PRESSAVG: 2479000 -0.631993 18.6885 -19.5212 18.6886 -29.6534 39.2564 -19.5211 39.2563 11.3679 GPRESSAVG: 2479000 -1.91296 15.2359 -20.3381 20.6665 -29.5388 39.6163 -18.8465 38.4271 12.7214 TIMING: 2479000 CPU: 7385.69, 0.00298067/step Wall: 7385.69, 0.00298067/step, 2.0873 hours remaining, 206.566406 MB of memory in use. ENERGY: 2479000 772.0120 2037.4096 1934.1714 117.7571 -206295.4028 17911.3172 0.0000 0.0000 34213.8209 -149308.9145 298.7978 -183522.7354 -149207.7882 298.5848 -100.0331 -69.0200 558388.0575 -6.3058 -6.2434 PRESSURE: 2479200 293.361 -191.296 98.7933 -191.295 -250.771 -131.293 98.7937 -131.294 -308.047 GPRESSURE: 2479200 284.493 -165.596 122.94 -235.699 -167.054 -222.541 83.4171 -19.2088 -291.249 PRESSAVG: 2479200 23.3405 -19.0179 20.7833 -19.018 -0.209874 30.1272 20.7833 30.127 -0.477831 GPRESSAVG: 2479200 23.7346 -17.56 19.9479 -18.159 -1.11182 26.9908 20.0323 31.5124 0.135815 TIMING: 2479200 CPU: 7386.29, 0.00299361/step Wall: 7386.29, 0.00299361/step, 2.0962 hours remaining, 206.566406 MB of memory in use. ENERGY: 2479200 744.5803 2058.6473 1960.8184 103.8349 -206048.9952 17669.0793 0.0000 0.0000 34082.7115 -149429.3236 297.6528 -183512.0351 -149331.2702 299.3188 -88.4857 -57.9367 556509.3400 7.5509 7.5862 PRESSURE: 2479400 91.6086 -26.7969 -30.7204 -26.7969 66.4502 -72.5163 -30.7209 -72.5176 -180.955 GPRESSURE: 2479400 129.628 -25.9323 -142.502 -77.0814 87.4131 58.5892 -15.6129 -44.3377 -139.317 PRESSAVG: 2479400 -2.23408 -27.1978 8.81214 -27.1979 49.3591 -51.6755 8.81211 -51.6754 -64.0798 GPRESSAVG: 2479400 -1.15682 -30.3098 9.24217 -28.6165 50.2211 -48.2084 7.85457 -51.2359 -65.6506 TIMING: 2479400 CPU: 7386.89, 0.00300163/step Wall: 7386.89, 0.00300163/step, 2.10164 hours remaining, 206.566406 MB of memory in use. ENERGY: 2479400 739.0279 2055.9854 1950.9312 113.4535 -206059.5092 17822.7010 0.0000 0.0000 34042.6367 -149334.7735 297.3028 -183377.4102 -149242.6998 298.4551 -7.6319 25.9082 557369.3552 -5.6516 -5.5288 PRESSURE: 2479600 178.373 -110.824 -119.335 -110.823 14.1721 -24.2941 -119.335 -24.2928 -117.614 GPRESSURE: 2479600 192.868 -128.853 -72.2299 -83.4417 25.49 -59.3341 -134.242 -56.9534 -55.4072 PRESSAVG: 2479600 -4.63265 -29.7892 -37.3305 -29.7892 32.3749 -2.72323 -37.3305 -2.72323 -5.91275 GPRESSAVG: 2479600 -5.05878 -27.704 -35.9504 -29.8536 32.6037 -5.20761 -36.9341 -1.90416 -5.43321 TIMING: 2479600 CPU: 7387.49, 0.002999/step Wall: 7387.49, 0.002999/step, 2.09963 hours remaining, 206.566406 MB of memory in use. ENERGY: 2479600 728.4226 2084.1618 1925.4870 97.4841 -206458.1732 17861.7689 0.0000 0.0000 34284.1189 -149476.7299 299.4117 -183760.8488 -149380.6318 298.3826 24.9773 54.3168 556268.4537 7.2765 7.3706 PRESSURE: 2479800 -113.719 295.692 31.1522 295.691 -164.51 17.097 31.1523 17.0961 -48.7587 GPRESSURE: 2479800 -16.629 253.994 82.607 244.183 -130.587 3.3436 26.1755 -41.9726 -86.9499 PRESSAVG: 2479800 -42.5551 45.194 35.4572 45.1941 -14.2471 0.92193 35.4573 0.921953 5.18112 GPRESSAVG: 2479800 -43.2305 45.3976 34.4304 43.4984 -14.1201 4.5256 35.1769 -1.09623 5.68332 TIMING: 2479800 CPU: 7388.09, 0.003006/step Wall: 7388.09, 0.003006/step, 2.10436 hours remaining, 206.566406 MB of memory in use. ENERGY: 2479800 723.5707 2057.5136 1915.7418 123.5808 -205995.2548 17622.7435 0.0000 0.0000 34164.6284 -149387.4759 298.3682 -183552.1043 -149292.3174 298.5955 -108.9958 -78.0553 557271.7175 -17.2070 -17.2225 PRESSURE: 2480000 4.82722 -24.2368 55.8938 -24.2367 209.312 57.654 55.8939 57.6547 87.5 GPRESSURE: 2480000 26.2046 -89.5618 121.22 -28.2841 253.446 57.409 42.4361 61.8331 113.154 PRESSAVG: 2480000 0.96589 24.7974 5.43266 24.7973 -3.417 7.21595 5.43269 7.21598 -7.70331 GPRESSAVG: 2480000 0.981911 23.7536 5.66272 28.5007 -3.88254 7.46217 4.60573 6.89389 -7.26607 TIMING: 2480000 CPU: 7388.69, 0.00298268/step Wall: 7388.69, 0.00298268/step, 2.08788 hours remaining, 206.566406 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: 2480000 719.9490 2086.8094 1959.6830 120.5671 -206218.5275 17859.6291 0.0000 0.0000 34114.8188 -149357.0711 297.9332 -183471.8899 -149271.3247 298.1846 100.5465 130.9351 557120.2505 -3.3848 -3.3889 PRESSURE: 2480200 -70.0599 7.13185 -11.4547 7.13225 -19.1578 -5.83679 -11.4567 -5.83803 52.3546 GPRESSURE: 2480200 -13.3166 17.3207 22.0776 -21.3793 0.0662903 -154.639 -70.8502 148.066 88.8682 PRESSAVG: 2480200 35.2766 -32.5434 42.2654 -32.5434 -32.5616 -47.7429 42.2654 -47.7429 37.3677 GPRESSAVG: 2480200 35.6304 -32.6341 41.813 -32.9915 -32.8083 -48.735 42.7814 -46.0216 37.9165 TIMING: 2480200 CPU: 7389.29, 0.00299037/step Wall: 7389.29, 0.00299037/step, 2.0931 hours remaining, 206.566406 MB of memory in use. ENERGY: 2480200 758.4612 2090.4250 1958.5960 100.7848 -206266.4396 17759.3764 0.0000 0.0000 34175.9908 -149422.8055 298.4674 -183598.7963 -149327.8371 298.7326 -12.2877 25.2060 557694.4408 13.3609 13.5795 LDB: ============= START OF LOAD BALANCING ============== 7392.72 LDB: ============== END OF LOAD BALANCING =============== 7392.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7392.72 LDB: ============= START OF LOAD BALANCING ============== 7393.02 LDB: Largest compute 4821 load 0.025749 is 21.8% of average load 0.118000 LDB: Average compute 0.001718 is 1.5% of average load 0.118000 LDB: TIME 7393.02 LOAD: AVG 0.118 MAX 0.201843 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.035 MB LDB: TIME 7393.02 LOAD: AVG 0.118 MAX 0.201843 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.238 MB LDB: TIME 7393.02 LOAD: AVG 0.118 MAX 0.201843 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.238 MB LDB: ============== END OF LOAD BALANCING =============== 7393.02 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7393.03 PRESSURE: 2480400 328.699 -70.4509 124.912 -70.4502 179.096 -151.752 124.913 -151.752 86.4496 GPRESSURE: 2480400 397.463 -102.036 76.8414 -5.48339 166.076 -172.369 110.593 -181.952 134.995 PRESSAVG: 2480400 17.3829 -21.2351 -83.8556 -21.235 -10.5202 -12.0736 -83.8556 -12.0737 -68.2062 GPRESSAVG: 2480400 17.6402 -22.1191 -83.9874 -21.4819 -9.8107 -14.6722 -82.6966 -12.5686 -68.7595 TIMING: 2480400 CPU: 7389.9, 0.00304852/step Wall: 7389.9, 0.00304852/step, 2.13363 hours remaining, 205.722656 MB of memory in use. ENERGY: 2480400 724.9029 2064.8689 1970.2652 123.2972 -206264.7061 18091.3792 0.0000 0.0000 34118.8563 -149171.1364 297.9685 -183289.9927 -149082.4992 298.7643 198.0814 232.8447 556187.4708 -20.4478 -20.3100 PRESSURE: 2480600 131.038 -33.4745 -129.112 -33.4763 -1.25751 -75.804 -129.113 -75.8035 -26.509 GPRESSURE: 2480600 201.798 -28.5761 -163.016 -52.0707 32.0901 -32.009 -125.655 -18.0437 -33.6735 PRESSAVG: 2480600 48.4587 34.2263 -60.208 34.2264 0.3867 -60.5568 -60.2079 -60.5569 -14.144 GPRESSAVG: 2480600 48.9144 34.4694 -58.2592 34.6913 0.446918 -58.6693 -62.9692 -60.2529 -14.447 TIMING: 2480600 CPU: 7390.5, 0.00299868/step Wall: 7390.5, 0.00299868/step, 2.09858 hours remaining, 205.925781 MB of memory in use. ENERGY: 2480600 745.0883 2011.1034 1939.8561 110.0754 -206317.4433 18057.5855 0.0000 0.0000 34393.7336 -149060.0011 300.3690 -183453.7347 -148962.4464 298.9718 34.4239 66.7381 560103.7529 11.5671 11.6381 PRESSURE: 2480800 -129.808 -162.227 31.2877 -162.227 234.984 132 31.2868 132.001 289.603 GPRESSURE: 2480800 -29.1649 -97.9918 26.1289 -237.74 213.083 165.944 -29.1986 22.0703 305.25 PRESSAVG: 2480800 -39.2236 7.32791 -38.8268 7.32787 -53.6387 -12.2183 -38.8268 -12.2183 61.9834 GPRESSAVG: 2480800 -39.077 8.27029 -40.1551 6.48723 -54.5037 -11.9137 -36.9538 -12.5468 63.5981 TIMING: 2480800 CPU: 7391.1, 0.00300073/step Wall: 7391.1, 0.00300073/step, 2.09984 hours remaining, 205.925781 MB of memory in use. ENERGY: 2480800 751.1439 2079.1861 1942.0495 125.9435 -206577.5719 18198.7512 0.0000 0.0000 34293.7317 -149186.7661 299.4957 -183480.4978 -149097.8137 298.8659 131.5931 163.0560 558970.9213 -10.2930 -9.9942 PRESSURE: 2481000 -32.6347 -97.6601 -127.064 -97.6604 46.0697 -15.6039 -127.065 -15.6023 95.4593 GPRESSURE: 2481000 -10.8167 -160.128 -206.568 -33.7165 96.8524 -17.6434 -32.7864 -85.0137 119.549 PRESSAVG: 2481000 -15.2176 -9.28426 -23.5235 -9.28436 -40.1487 10.2954 -23.5236 10.2953 32.7055 GPRESSAVG: 2481000 -15.5956 -11.0282 -23.865 -7.64241 -39.644 9.49982 -21.4439 9.77476 32.084 TIMING: 2481000 CPU: 7391.7, 0.00299815/step Wall: 7391.7, 0.00299815/step, 2.09787 hours remaining, 205.925781 MB of memory in use. ENERGY: 2481000 740.3907 2068.5005 1976.9620 118.9038 -206341.0244 17932.5738 0.0000 0.0000 34200.1391 -149303.5546 298.6783 -183503.6937 -149202.1881 299.6197 36.2981 68.5281 558073.6086 -7.5536 -7.7185 PRESSURE: 2481200 -16.7247 -122.132 -11.424 -122.132 54.2638 -31.4814 -11.4237 -31.4816 172.305 GPRESSURE: 2481200 36.0696 -126.749 14.6376 -112.583 99.5936 -70.9485 13.0734 -44.334 178.004 PRESSAVG: 2481200 -41.5664 -34.2087 -10.3944 -34.2088 31.7328 19.9439 -10.3944 19.944 -5.1521 GPRESSAVG: 2481200 -42.0861 -32.1614 -8.43921 -35.3449 32.3108 18.3473 -12.2596 21.6224 -4.61864 TIMING: 2481200 CPU: 7392.3, 0.00301221/step Wall: 7392.3, 0.00301221/step, 2.10754 hours remaining, 205.925781 MB of memory in use. ENERGY: 2481200 695.5129 2104.5617 1914.6292 129.1196 -206284.0935 17876.1764 0.0000 0.0000 34281.5670 -149282.5267 299.3895 -183564.0937 -149188.4928 298.7928 69.9481 104.5558 558241.8239 -4.9952 -4.7980 PRESSURE: 2481400 35.7551 -96.3276 -133.376 -96.3273 -348.229 11.969 -133.377 11.9685 -29.7256 GPRESSURE: 2481400 57.5803 -79.2148 -92.3586 -136.38 -318.635 39.1931 -73.3284 47.6538 8.44342 PRESSAVG: 2481400 -43.8904 -23.182 -66.3054 -23.1819 8.67861 -6.27434 -66.3053 -6.27433 22.7348 GPRESSAVG: 2481400 -42.4841 -24.993 -64.4263 -22.8509 7.86443 -3.35071 -67.1456 -8.99926 21.4696 TIMING: 2481400 CPU: 7392.9, 0.00298937/step Wall: 7392.9, 0.00298937/step, 2.0914 hours remaining, 205.925781 MB of memory in use. ENERGY: 2481400 723.1021 2106.5414 1942.7980 111.1096 -206200.3303 17708.0830 0.0000 0.0000 34227.2136 -149381.4825 298.9148 -183608.6961 -149278.1589 298.8709 -114.0666 -84.2039 558063.7557 -4.1590 -4.3834 PRESSURE: 2481600 64.3484 75.5591 -193.872 75.5586 -55.7713 -129.816 -193.872 -129.815 -37.9773 GPRESSURE: 2481600 56.3627 56.2688 -114.495 105.08 12.0678 -132.319 -153.661 -183.428 5.10409 PRESSAVG: 2481600 -12.1155 -35.1189 -33.1732 -35.1189 10.6663 -20.8196 -33.1733 -20.8196 -19.5265 GPRESSAVG: 2481600 -13.3794 -33.1212 -36.8709 -35.9638 10.9575 -22.5133 -30.3428 -19.2708 -18.4204 TIMING: 2481600 CPU: 7393.49, 0.00297931/step Wall: 7393.49, 0.00297931/step, 2.08419 hours remaining, 205.925781 MB of memory in use. ENERGY: 2481600 746.3372 2095.2850 1935.7570 110.9242 -206418.0368 17855.0536 0.0000 0.0000 34253.3080 -149421.3717 299.1427 -183674.6797 -149326.6014 298.9081 -9.8001 24.5115 555026.0408 -6.9919 -6.9474 PRESSURE: 2481800 -98.172 45.2196 -35.493 45.2189 132.863 175.906 -35.4931 175.906 235.606 GPRESSURE: 2481800 -36.9293 -14.9814 -121.309 25.6735 207.208 136.088 67.436 142.41 206.666 PRESSAVG: 2481800 37.3815 -44.0379 2.12076 -44.0381 27.835 19.9934 2.12074 19.9934 -39.5325 GPRESSAVG: 2481800 36.8801 -45.3341 3.79972 -43.229 27.2925 20.7548 0.292726 20.7099 -38.5983 TIMING: 2481800 CPU: 7394.09, 0.00300199/step Wall: 7394.09, 0.00300199/step, 2.09989 hours remaining, 205.925781 MB of memory in use. ENERGY: 2481800 701.5974 2077.3558 1967.7869 117.3842 -206436.7245 17959.8932 0.0000 0.0000 34255.8807 -149356.8263 299.1651 -183612.7069 -149267.6866 299.1642 90.0990 125.6482 556769.2523 8.5613 8.5248 PRESSURE: 2482000 -26.8077 10.8616 220.987 10.861 265.73 168.406 220.987 168.407 -95.2772 GPRESSURE: 2482000 -5.41746 -23.8107 199.343 64.8865 346.696 159.216 144.374 151.677 -103.188 PRESSAVG: 2482000 -39.0419 7.57925 12.178 7.57917 69.0208 82.4705 12.178 82.4704 -54.1798 GPRESSAVG: 2482000 -39.5049 8.59553 10.6266 7.25299 70.8911 82.4272 12.8528 82.1212 -55.8052 TIMING: 2482000 CPU: 7394.69, 0.00300288/step Wall: 7394.69, 0.00300288/step, 2.10035 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: 2482000 737.0403 2080.6834 1960.0953 112.8293 -205899.7039 17661.6846 0.0000 0.0000 33994.8369 -149352.5341 296.8854 -183347.3710 -149259.2964 298.0764 47.8817 79.3638 557033.1176 -8.0670 -8.1397 PRESSURE: 2482200 13.173 116.224 23.4725 116.223 148.929 -298.523 23.4721 -298.523 -6.7619 GPRESSURE: 2482200 52.0491 138.721 100.033 13.1143 196.039 -270.463 -92.3033 -349.017 0.91714 PRESSAVG: 2482200 21.4196 -22.1311 7.5751 -22.1312 34.0105 22.8106 7.57499 22.8106 -31.956 GPRESSAVG: 2482200 22.8103 -23.5188 7.11166 -23.7364 32.8775 22.0043 8.13988 23.655 -31.6911 TIMING: 2482200 CPU: 7395.29, 0.00300445/step Wall: 7395.29, 0.00300445/step, 2.10128 hours remaining, 205.925781 MB of memory in use. ENERGY: 2482200 748.0268 2119.0741 1938.3489 107.6487 -206215.2484 17792.3706 0.0000 0.0000 34066.6279 -149443.1515 297.5123 -183509.7794 -149348.2045 298.6669 51.7801 83.0017 557196.3233 7.8247 7.9989 PRESSURE: 2482400 136.371 -46.225 -60.4215 -46.2241 149.299 109.016 -60.4211 109.017 211.445 GPRESSURE: 2482400 155.683 -25.7025 -23.6492 -61.7275 200.79 75.4615 -54.2047 28.1191 239.598 PRESSAVG: 2482400 -6.22983 -13.6827 36.1726 -13.6827 74.1919 19.7581 36.1727 19.7581 -61.432 GPRESSAVG: 2482400 -6.14066 -12.8272 36.1812 -11.8423 74.79 19.4379 35.4144 20.2462 -61.9512 TIMING: 2482400 CPU: 7395.89, 0.00299279/step Wall: 7395.89, 0.00299279/step, 2.09296 hours remaining, 205.925781 MB of memory in use. ENERGY: 2482400 744.9264 2090.3125 1929.4338 110.6441 -206697.2374 18031.6129 0.0000 0.0000 34359.7027 -149430.6050 300.0718 -183790.3077 -149328.3650 299.0234 165.7051 198.6900 555515.7439 2.1767 2.2327 PRESSURE: 2482600 255.16 -97.7314 -48.2289 -97.7313 115.918 46.444 -48.2282 46.445 -13.551 GPRESSURE: 2482600 266.29 -118.246 -36.9264 -50.1387 115.01 17.9661 13.7573 36.7885 63.3332 PRESSAVG: 2482600 -36.5399 -26.8853 -24.1105 -26.8854 64.0202 34.506 -24.1106 34.506 -20.954 GPRESSAVG: 2482600 -36.0301 -27.0126 -22.0685 -26.8607 61.711 34.882 -24.4343 33.6413 -19.2873 TIMING: 2482600 CPU: 7396.49, 0.00299692/step Wall: 7396.49, 0.00299692/step, 2.09568 hours remaining, 205.925781 MB of memory in use. ENERGY: 2482600 729.6487 2126.7195 1944.1401 124.3124 -206585.2989 18091.1479 0.0000 0.0000 34256.6696 -149312.6608 299.1720 -183569.3304 -149216.1539 299.1075 119.1758 148.2112 555918.6517 2.1754 2.1312 PRESSURE: 2482800 -83.8317 -43.0428 19.2287 -43.044 -103.554 162.248 19.2289 162.25 -460.833 GPRESSURE: 2482800 -59.7166 -44.0705 32.6487 11.3868 -60.6801 190.873 60.277 180.225 -433.19 PRESSAVG: 2482800 -11.4033 -48.2008 -24.997 -48.2008 13.2144 29.2639 -24.997 29.2639 -17.2052 GPRESSAVG: 2482800 -11.5805 -48.3647 -26.9165 -48.7864 15.389 29.8513 -24.5162 28.279 -18.5325 TIMING: 2482800 CPU: 7397.09, 0.00300607/step Wall: 7397.09, 0.00300607/step, 2.10191 hours remaining, 205.925781 MB of memory in use. ENERGY: 2482800 732.0830 2045.2539 1930.7020 119.2150 -205880.2455 17504.7612 0.0000 0.0000 34210.0519 -149338.1785 298.7649 -183548.2304 -149236.3174 298.6410 -216.0731 -184.5290 558284.2837 -5.1314 -4.9080 PRESSURE: 2483000 203.592 87.365 -56.2509 87.3653 129.636 -102.518 -56.2507 -102.518 10.8838 GPRESSURE: 2483000 192.9 121.767 107.332 19.7815 133.614 -127.525 -103.651 -58.3689 118.735 PRESSAVG: 2483000 -5.91835 9.79925 -45.1212 9.79917 67.8098 -63.6368 -45.1212 -63.6368 -52.271 GPRESSAVG: 2483000 -5.9201 10.6203 -44.6792 10.3424 68.3906 -61.3713 -45.142 -64.0013 -52.2579 TIMING: 2483000 CPU: 7397.69, 0.00299451/step Wall: 7397.69, 0.00299451/step, 2.09366 hours remaining, 205.925781 MB of memory in use. ENERGY: 2483000 728.9518 2071.4297 1937.2584 118.4081 -206389.0565 17794.7893 0.0000 0.0000 34487.9818 -149250.2374 301.1921 -183738.2192 -149149.1333 299.0317 114.7041 148.4161 555142.9250 3.2068 3.4042 PRESSURE: 2483200 -115.655 19.2431 68.1911 19.2441 -62.593 4.88925 68.1904 4.88966 27.9922 GPRESSURE: 2483200 -63.6456 38.7837 141.805 -32.0423 -53.4883 -21.0862 -16.6537 -17.3015 59.1107 PRESSAVG: 2483200 51.6803 -33.2287 -0.445559 -33.2286 -8.34372 16.2054 -0.445641 16.2055 -49.87 GPRESSAVG: 2483200 52.8205 -33.475 1.88474 -33.6812 -9.84496 11.4697 -1.96841 18.4541 -49.4906 TIMING: 2483200 CPU: 7398.29, 0.00299356/step Wall: 7398.29, 0.00299356/step, 2.09283 hours remaining, 205.925781 MB of memory in use. ENERGY: 2483200 753.4129 2089.0802 1933.0485 110.7048 -206583.5249 17923.7631 0.0000 0.0000 34469.1800 -149304.3354 301.0279 -183773.5154 -149212.7457 298.6768 -50.0853 -19.3411 556738.7469 -2.1778 -2.1717 PRESSURE: 2483400 -213.593 96.4067 -8.02036 96.4066 -35.1505 -87.6633 -8.01981 -87.6636 -38.3743 GPRESSURE: 2483400 -184.346 45.3512 -16.8221 148.81 23.1769 -16.7566 14.5983 -166.2 -22.9248 PRESSAVG: 2483400 -26.2439 -4.951 67.9709 -4.95104 11.5461 -42.799 67.9709 -42.7991 22.0053 GPRESSAVG: 2483400 -27.4246 -3.83542 68.3712 -6.49569 13.3238 -39.7569 68.1143 -45.5509 22.2622 TIMING: 2483400 CPU: 7398.89, 0.00297913/step Wall: 7398.89, 0.00297913/step, 2.08258 hours remaining, 205.925781 MB of memory in use. ENERGY: 2483400 771.1363 2062.5707 1951.7495 127.3013 -206326.7254 17708.6680 0.0000 0.0000 34288.0877 -149417.2118 299.4464 -183705.2995 -149320.8029 299.3261 -95.7058 -61.3646 557398.0681 2.4358 2.7205 PRESSURE: 2483600 87.9728 -36.7511 156.303 -36.7524 -28.9829 26.9935 156.304 26.9946 -197.102 GPRESSURE: 2483600 122.583 -60.4992 184.636 -3.98473 -29.7877 24.6294 166.792 -10.0111 -136.565 PRESSAVG: 2483600 46.6234 13.2438 72.8739 13.2438 -27.0981 -14.2979 72.8739 -14.298 -62.3253 GPRESSAVG: 2483600 45.3466 10.9015 68.6902 14.9871 -27.0868 -13.2199 73.2352 -14.9455 -60.709 TIMING: 2483600 CPU: 7399.49, 0.00301943/step Wall: 7399.49, 0.00301943/step, 2.11058 hours remaining, 205.925781 MB of memory in use. ENERGY: 2483600 749.2860 2152.5091 1958.3206 98.9340 -206344.3562 17714.5177 0.0000 0.0000 34264.7823 -149406.0066 299.2429 -183670.7888 -149308.0690 298.7696 -46.0374 -14.5901 556798.8298 -14.2667 -14.1497 PRESSURE: 2483800 -69.2034 -0.738697 -13.4991 -0.737249 -129.971 -206.902 -13.4996 -206.903 -74.3162 GPRESSURE: 2483800 -24.0106 -16.489 57.944 29.1822 -88.623 -142.122 -80.0048 -180.712 -66.6937 PRESSAVG: 2483800 17.2547 -12.6953 23.0784 -12.6953 25.6744 -1.60498 23.0784 -1.60505 -39.049 GPRESSAVG: 2483800 19.1789 -11.7862 24.2346 -13.285 25.1576 -3.76923 24.0343 -1.07465 -40.0576 TIMING: 2483800 CPU: 7400.09, 0.00301259/step Wall: 7400.09, 0.00301259/step, 2.10563 hours remaining, 205.925781 MB of memory in use. ENERGY: 2483800 694.8256 2098.6876 1945.0317 122.2336 -206282.3848 17676.6638 0.0000 0.0000 34290.8402 -149454.1024 299.4704 -183744.9426 -149354.4352 299.1584 -91.1634 -59.7758 558087.6492 1.2934 1.4263 PRESSURE: 2484000 11.0731 -164.652 73.1352 -164.652 61.5225 -171.233 73.1339 -171.234 -278.349 GPRESSURE: 2484000 33.355 -178.587 72.2647 -134.95 74.6339 -190.272 9.11005 -115.257 -221.947 PRESSAVG: 2484000 48.7976 -32.9448 43.0071 -32.9449 51.2544 -1.57459 43.0071 -1.57458 -73.481 GPRESSAVG: 2484000 48.485 -32.5155 43.8332 -32.8143 50.7592 -1.18864 40.6498 -1.51918 -72.7253 TIMING: 2484000 CPU: 7400.7, 0.00302634/step Wall: 7400.7, 0.00302634/step, 2.11508 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: 2484000 710.3399 2153.3826 1936.4846 115.5525 -206488.0150 17834.4069 0.0000 0.0000 34349.6740 -149388.1746 299.9842 -183737.8486 -149297.4074 298.8450 -68.5844 -37.9861 558437.8703 8.8570 8.8396 PRESSURE: 2484200 100.921 77.126 33.6255 77.1257 196.254 104.505 33.6246 104.505 242.054 GPRESSURE: 2484200 158.538 8.59266 -10.6802 82.7919 167.223 87.4247 99.5474 138.928 299.436 PRESSAVG: 2484200 30.8399 23.1507 -15.1358 23.1508 13.2797 28.5168 -15.1358 28.5169 -44.0687 GPRESSAVG: 2484200 30.5409 22.0346 -18.5277 23.7616 13.3779 27.372 -12.3095 31.0541 -43.9281 TIMING: 2484200 CPU: 7401.3, 0.00299816/step Wall: 7401.3, 0.00299816/step, 2.09521 hours remaining, 205.925781 MB of memory in use. ENERGY: 2484200 740.8991 2076.3446 1938.9286 113.2908 -206997.1872 18194.7718 0.0000 0.0000 34369.9631 -149562.9893 300.1614 -183932.9524 -149467.8754 298.6962 179.7431 208.3992 557715.5430 0.0170 -0.0031 LDB: ============= START OF LOAD BALANCING ============== 7404.73 LDB: ============== END OF LOAD BALANCING =============== 7404.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7404.73 LDB: ============= START OF LOAD BALANCING ============== 7405.03 LDB: Largest compute 4821 load 0.027472 is 23.3% of average load 0.118129 LDB: Average compute 0.001715 is 1.5% of average load 0.118129 LDB: TIME 7405.03 LOAD: AVG 0.118129 MAX 0.204968 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.242 MB LDB: TIME 7405.03 LOAD: AVG 0.118129 MAX 0.204968 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.312 MB LDB: TIME 7405.03 LOAD: AVG 0.118129 MAX 0.204968 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.312 MB LDB: ============== END OF LOAD BALANCING =============== 7405.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7405.04 PRESSURE: 2484400 63.2747 -130.849 63.469 -130.85 115.909 139.554 63.4681 139.555 180.61 GPRESSURE: 2484400 94.2596 -110.202 68.8573 -130.275 175.285 54.8201 -26.4033 67.8296 190.353 PRESSAVG: 2484400 -32.6933 -31.7799 81.7296 -31.7799 16.0374 22.3561 81.7296 22.356 72.9606 GPRESSAVG: 2484400 -32.268 -30.9911 84.9637 -33.5727 15.743 24.6558 80.1238 18.6719 73.3544 TIMING: 2484400 CPU: 7401.91, 0.00307132/step Wall: 7401.91, 0.00307132/step, 2.14617 hours remaining, 205.765625 MB of memory in use. ENERGY: 2484400 713.9147 2122.9452 1930.6822 107.3063 -206960.3042 18206.4618 0.0000 0.0000 34154.2479 -149724.7460 298.2775 -183878.9939 -149625.4330 298.5905 119.9311 153.2991 557698.8025 18.7682 18.9431 PRESSURE: 2484600 27.7808 72.2186 95.1169 72.2188 37.1809 119.566 95.1165 119.563 124.137 GPRESSURE: 2484600 95.1208 74.8589 64.3902 52.0125 87.1607 136.041 67.6102 142.643 110.133 PRESSAVG: 2484600 -71.165 19.2978 59.0232 19.2977 63.9785 -3.99583 59.0232 -3.99581 13.6565 GPRESSAVG: 2484600 -70.0037 20.3671 60.1357 19.7801 64.1576 -5.59713 56.7954 -1.76458 12.442 TIMING: 2484600 CPU: 7402.51, 0.00298842/step Wall: 7402.51, 0.00298842/step, 2.08808 hours remaining, 205.765625 MB of memory in use. ENERGY: 2484600 713.4740 2123.9525 1925.8318 111.9858 -207063.3206 18061.7716 0.0000 0.0000 34301.6490 -149824.6558 299.5648 -184126.3049 -149728.4078 298.1271 63.0330 97.4716 556533.9773 2.1567 2.1986 PRESSURE: 2484800 156.631 -85.2214 -215.243 -85.2204 -64.3706 8.4173 -215.243 8.41734 64.9196 GPRESSURE: 2484800 177.789 -36.6319 -215.783 -69.7095 -12.8705 19.9808 -277.728 -18.1991 90.2401 PRESSAVG: 2484800 -32.6666 2.49712 28.8857 2.49711 5.51724 62.5525 28.8857 62.5524 -15.6858 GPRESSAVG: 2484800 -34.6073 2.29893 27.0424 2.72195 6.52432 62.0726 29.726 64.144 -14.4463 TIMING: 2484800 CPU: 7403.11, 0.0029997/step Wall: 7403.11, 0.0029997/step, 2.09579 hours remaining, 205.765625 MB of memory in use. ENERGY: 2484800 729.8604 2101.4311 1909.3990 102.5840 -206614.9047 17873.9710 0.0000 0.0000 34122.8010 -149774.8583 298.0029 -183897.6593 -149676.6357 297.8359 52.3934 85.0528 555715.5872 -14.2784 -14.1764 PRESSURE: 2485000 -297.478 88.144 123.354 88.1448 -251.41 -102.676 123.354 -102.677 -224.127 GPRESSURE: 2485000 -249.995 101.068 99.1413 48.0225 -279.394 -52.227 73.314 -150.703 -141.878 PRESSAVG: 2485000 11.0737 6.20126 -44.7196 6.20121 -17.0197 58.0417 -44.7195 58.0416 39.329 GPRESSAVG: 2485000 12.6427 6.78873 -44.5257 5.4216 -18.7841 59.2446 -42.5268 58.4326 40.182 TIMING: 2485000 CPU: 7403.71, 0.00299089/step Wall: 7403.71, 0.00299089/step, 2.08947 hours remaining, 205.765625 MB of memory in use. ENERGY: 2485000 774.1275 2154.0358 1934.0274 119.4179 -206260.6041 17555.3169 0.0000 0.0000 33944.4952 -149779.1833 296.4457 -183723.6785 -149685.8898 297.6189 -257.6720 -223.7555 557678.2624 11.1277 11.3469 PRESSURE: 2485200 64.3092 42.1958 119.382 42.1964 97.7368 95.7639 119.382 95.7637 157.411 GPRESSURE: 2485200 85.6764 99.8829 140.84 99.3709 201.445 107.575 102.536 136.427 135.169 PRESSAVG: 2485200 -13.0614 34.8897 58.3908 34.8897 -35.7453 -16.5758 58.3909 -16.5759 6.01173 GPRESSAVG: 2485200 -12.9302 33.877 59.4119 38.4896 -34.0325 -16.7264 58.1419 -17.3168 4.70693 TIMING: 2485200 CPU: 7404.31, 0.00300998/step Wall: 7404.31, 0.00300998/step, 2.10264 hours remaining, 205.765625 MB of memory in use. ENERGY: 2485200 742.4316 2051.2966 1956.5870 126.9277 -206892.2537 18138.9939 0.0000 0.0000 34266.2294 -149609.7875 299.2555 -183876.0168 -149514.2531 298.7084 106.4855 140.7635 556325.8781 -14.2650 -14.0853 PRESSURE: 2485400 2.29531 103.38 87.2901 103.379 362.573 26.8433 87.289 26.8426 150.104 GPRESSURE: 2485400 11.4745 -7.88013 53.2939 35.7945 392.943 59.7803 175.556 87.6471 205.163 PRESSAVG: 2485400 -10.4522 -13.1132 -25.3006 -13.1132 74.8317 36.3806 -25.3005 36.3806 7.84407 GPRESSAVG: 2485400 -11.4917 -15.7349 -27.0038 -13.5188 75.4407 34.921 -26.0941 34.0351 7.91616 TIMING: 2485400 CPU: 7404.92, 0.00303172/step Wall: 7404.92, 0.00303172/step, 2.11766 hours remaining, 205.765625 MB of memory in use. ENERGY: 2485400 759.4067 2105.7498 1938.0204 104.0446 -206545.0971 18132.1913 0.0000 0.0000 34120.7794 -149384.9049 297.9853 -183505.6843 -149294.2707 298.2728 171.6573 203.1934 556814.1569 24.0745 23.9551 PRESSURE: 2485600 -41.8996 -96.2118 -38.082 -96.2127 -29.049 108.704 -38.082 108.705 -142.338 GPRESSURE: 2485600 -33.3806 -93.7838 -48.7883 -59.1151 35.7631 90.1686 -28.8601 101.484 -122.285 PRESSAVG: 2485600 -17.8959 -13.6773 -23.6784 -13.6773 -14.4961 6.74883 -23.6783 6.74871 41.3121 GPRESSAVG: 2485600 -17.4593 -12.7857 -22.0511 -14.7857 -15.3996 5.59739 -24.3557 10.5057 42.3945 TIMING: 2485600 CPU: 7405.52, 0.00301025/step Wall: 7405.52, 0.00301025/step, 2.10249 hours remaining, 205.765625 MB of memory in use. ENERGY: 2485600 747.0283 2156.8769 1920.0251 103.7621 -206574.5001 17873.3613 0.0000 0.0000 34212.9883 -149560.4580 298.7905 -183773.4463 -149462.6037 298.2906 -71.0956 -39.9675 557153.1025 2.9733 3.1786 PRESSURE: 2485800 -105.817 -59.9534 -126.458 -59.954 -207.541 -92.4386 -126.457 -92.4376 -42.8347 GPRESSURE: 2485800 -123.718 -81.0413 -111.581 -26.5086 -211.271 -6.53868 -74.3186 -92.5666 71.7004 PRESSAVG: 2485800 -12.7481 -30.5495 12.1466 -30.5496 43.1094 -26.541 12.1466 -26.5409 -30.2192 GPRESSAVG: 2485800 -12.9748 -28.8126 12.7918 -30.5707 44.1476 -25.0244 9.98973 -28.2105 -30.9932 TIMING: 2485800 CPU: 7406.12, 0.00299358/step Wall: 7406.12, 0.00299358/step, 2.09068 hours remaining, 205.765625 MB of memory in use. ENERGY: 2485800 719.0687 2106.8222 1933.3985 113.5576 -206200.7461 17657.8886 0.0000 0.0000 34284.9615 -149385.0490 299.4191 -183670.0105 -149287.9685 299.3031 -118.7307 -87.7628 556690.3911 0.0473 0.0599 PRESSURE: 2486000 -20.1977 61.6768 -27.3766 61.6784 130.032 14.7248 -27.3762 14.7238 260.31 GPRESSURE: 2486000 20.8204 72.3807 8.57469 89.3405 185.312 17.7111 -69.7405 131.497 255.874 PRESSAVG: 2486000 12.0793 -34.2002 -53.2644 -34.2002 34.4066 -3.68984 -53.2644 -3.68997 -15.3933 GPRESSAVG: 2486000 12.6453 -35.5706 -52.6004 -32.9162 33.139 -3.52562 -51.5379 -3.89325 -15.0202 TIMING: 2486000 CPU: 7406.72, 0.00301442/step Wall: 7406.72, 0.00301442/step, 2.10507 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: 2486000 748.7681 2112.8141 1950.1973 113.7248 -206852.5361 18233.0130 0.0000 0.0000 34274.4381 -149419.5807 299.3272 -183694.0188 -149321.1495 299.5830 123.3812 154.0020 556489.2498 10.3642 10.2547 PRESSURE: 2486200 113.354 -122.508 80.568 -122.509 -265.582 155.344 80.5684 155.345 18.2848 GPRESSURE: 2486200 135.894 -152.843 194.34 -131.148 -207.427 144.087 45.81 131.703 35.7895 PRESSAVG: 2486200 -86.6872 -4.3379 -45.2863 -4.33793 6.65907 25.155 -45.2863 25.155 78.0395 GPRESSAVG: 2486200 -87.7007 -1.97209 -47.5401 -4.97472 8.35836 26.4477 -46.2392 22.907 76.6296 TIMING: 2486200 CPU: 7407.32, 0.00302572/step Wall: 7407.32, 0.00302572/step, 2.1128 hours remaining, 205.765625 MB of memory in use. ENERGY: 2486200 814.5011 2070.1407 1931.5829 112.8733 -206543.9766 17911.0842 0.0000 0.0000 34315.3648 -149388.4295 299.6846 -183703.7943 -149285.7943 299.9334 -44.6479 -11.9145 556578.0328 -0.6629 -0.9043 PRESSURE: 2486400 -151.482 -139.161 -39.4964 -139.162 -242.178 55.5747 -39.497 55.5752 -309.492 GPRESSURE: 2486400 -103.531 -161.453 -54.0476 -122.527 -254.337 146.329 51.6229 90.4669 -242.237 PRESSAVG: 2486400 -13.3912 -36.1876 9.36644 -36.1876 59.4623 -8.93205 9.3664 -8.93193 -31.8266 GPRESSAVG: 2486400 -13.0722 -37.1907 10.9922 -36.2907 57.459 -8.50384 8.95658 -8.6368 -30.2718 TIMING: 2486400 CPU: 7407.92, 0.00300125/step Wall: 7407.92, 0.00300125/step, 2.09554 hours remaining, 205.832031 MB of memory in use. ENERGY: 2486400 787.0345 2106.2506 1944.8284 124.6326 -206188.3365 17693.2066 0.0000 0.0000 33940.9907 -149591.3931 296.4151 -183532.3838 -149497.8382 298.4711 -234.3840 -200.0349 557755.5574 4.7481 4.7050 PRESSURE: 2486600 -0.466887 -6.56978 168.31 -6.57042 -24.3058 119.698 168.31 119.698 -132.692 GPRESSURE: 2486600 11.2862 82.6542 123.197 29.2334 27.8516 97.1184 157.669 86.8246 -92.4037 PRESSAVG: 2486600 -20.9063 1.6616 2.29043 1.66165 32.4788 46.086 2.29038 46.086 -10.5478 GPRESSAVG: 2486600 -20.4462 1.87222 -0.250269 1.64957 32.9088 44.8261 4.89418 46.2851 -11.549 TIMING: 2486600 CPU: 7408.52, 0.0029864/step Wall: 7408.52, 0.0029864/step, 2.085 hours remaining, 205.832031 MB of memory in use. ENERGY: 2486600 783.3704 2088.0169 1946.0288 113.7654 -206614.2085 17804.5938 0.0000 0.0000 34140.2804 -149738.1527 298.1556 -183878.4331 -149642.8066 298.7202 -52.4881 -17.7553 557937.0873 0.3416 0.3045 PRESSURE: 2486800 -147.705 44.9482 63.0715 44.9479 -92.2551 -97.3573 63.0699 -97.3582 81.5972 GPRESSURE: 2486800 -101.86 7.21151 -2.12521 77.1399 -10.7561 -111.491 71.5597 -52.3158 48.3341 PRESSAVG: 2486800 36.0431 9.17095 11.1234 9.17101 -2.28124 10.4139 11.1236 10.4139 -47.6706 GPRESSAVG: 2486800 34.9413 6.19461 12.0167 10.9847 -1.71553 11.6819 9.12199 10.8832 -47.1793 TIMING: 2486800 CPU: 7409.12, 0.00300885/step Wall: 7409.12, 0.00300885/step, 2.10051 hours remaining, 205.832031 MB of memory in use. ENERGY: 2486800 793.5526 2143.9370 1920.2171 109.6660 -206593.0928 17876.8906 0.0000 0.0000 34060.6180 -149688.2116 297.4598 -183748.8296 -149596.0738 297.9167 -52.7876 -21.4273 555710.3410 -4.6362 -4.6512 PRESSURE: 2487000 -198.395 -89.7655 -112.011 -89.7655 -76.7323 -15.6997 -112.011 -15.6992 98.924 GPRESSURE: 2487000 -199.659 -111.05 -75.9411 -100.318 -42.5118 60.6457 -124.185 -67.5644 151.121 PRESSAVG: 2487000 -25.6996 -8.83994 11.8845 -8.83986 61.633 -19.2049 11.8844 -19.205 -14.6345 GPRESSAVG: 2487000 -26.4536 -6.79073 11.5717 -10.5938 61.3612 -19.7953 11.945 -17.8526 -14.0755 TIMING: 2487000 CPU: 7409.72, 0.00300215/step Wall: 7409.72, 0.00300215/step, 2.09567 hours remaining, 205.832031 MB of memory in use. ENERGY: 2487000 772.6576 2144.2903 1961.5271 115.9203 -206635.2049 17771.3299 0.0000 0.0000 34281.9408 -149587.5388 299.3927 -183869.4796 -149483.4490 297.6457 -58.7344 -30.3497 555479.4611 7.0996 6.9440 PRESSURE: 2487200 -397.947 76.264 232.722 76.2633 -66.6162 273.886 232.723 273.888 -212.026 GPRESSURE: 2487200 -339.25 82.4912 166.463 67.9637 -15.7626 197.795 305.01 238.829 -215.242 PRESSAVG: 2487200 -91.3401 -16.6466 -6.22384 -16.6466 122.816 -6.96905 -6.22382 -6.96897 -16.3804 GPRESSAVG: 2487200 -89.7163 -16.3211 -7.14933 -16.5991 121.052 -6.4948 -5.36654 -8.51202 -15.4641 TIMING: 2487200 CPU: 7410.33, 0.00301805/step Wall: 7410.33, 0.00301805/step, 2.1066 hours remaining, 205.832031 MB of memory in use. ENERGY: 2487200 762.8101 2114.1402 1937.7877 109.1534 -205911.4876 17443.1890 0.0000 0.0000 34121.9416 -149422.4656 297.9954 -183544.4071 -149316.7383 298.5898 -225.5300 -190.0848 557134.9841 5.0318 5.2904 PRESSURE: 2487400 -308.542 88.347 -57.5975 88.3468 142.929 -2.51394 -57.5978 -2.51571 -314.899 GPRESSURE: 2487400 -321.288 74.2606 -6.02029 36.2061 138.73 -22.2129 -168.655 36.046 -213.856 PRESSAVG: 2487400 -91.8099 53.6542 11.9533 53.6542 77.1012 29.1371 11.9533 29.1372 22.965 GPRESSAVG: 2487400 -94.0512 54.032 14.3216 52.5137 79.0448 27.7603 10.54 29.9107 22.9256 TIMING: 2487400 CPU: 7410.93, 0.00300039/step Wall: 7410.93, 0.00300039/step, 2.0941 hours remaining, 205.832031 MB of memory in use. ENERGY: 2487400 756.8028 2148.3038 1923.9556 116.6196 -206184.1959 17639.0037 0.0000 0.0000 34170.3251 -149429.1854 298.4179 -183599.5105 -149336.8524 299.1558 -160.1706 -132.1381 557890.7289 2.7521 2.6397 PRESSURE: 2487600 38.6248 85.8374 -86.2298 85.8372 85.3946 72.2431 -86.23 72.2433 51.8116 GPRESSURE: 2487600 79.9386 42.2445 -171.027 170.718 120.305 106.509 -30.9836 128.415 69.6246 PRESSAVG: 2487600 -74.8966 13.4626 19.7032 13.4625 71.7111 -41.2483 19.7031 -41.2482 6.44077 GPRESSAVG: 2487600 -72.8596 13.2808 18.3133 15.5336 70.2479 -39.6546 22.0976 -41.0539 6.40367 TIMING: 2487600 CPU: 7411.53, 0.0030064/step Wall: 7411.53, 0.0030064/step, 2.09813 hours remaining, 205.832031 MB of memory in use. ENERGY: 2487600 749.5928 2080.0295 1941.6648 113.2064 -206127.4528 17873.5791 0.0000 0.0000 34094.8585 -149274.5217 297.7589 -183369.3802 -149176.5476 299.0707 58.6103 89.9560 558166.8363 1.0851 1.2640 PRESSURE: 2487800 7.76914 -21.3194 32.9059 -21.3188 -75.5252 -84.8905 32.9051 -84.8913 -96.629 GPRESSURE: 2487800 29.614 -50.7124 -37.5437 16.2497 -48.0176 -48.9735 50.9081 -3.31854 -52.4601 PRESSAVG: 2487800 43.3626 -21.9667 44.0987 -21.9667 -66.1809 -36.3274 44.0987 -36.3274 -20.8952 GPRESSAVG: 2487800 41.7785 -20.1862 43.136 -23.5193 -64.6441 -37.1059 43.9024 -36.308 -21.2319 TIMING: 2487800 CPU: 7412.13, 0.00300235/step Wall: 7412.13, 0.00300235/step, 2.09514 hours remaining, 205.832031 MB of memory in use. ENERGY: 2487800 751.9665 2113.4179 1943.9987 122.3830 -206002.4860 17824.7990 0.0000 0.0000 34015.8978 -149230.0233 297.0693 -183245.9211 -149134.8476 298.9024 -54.7950 -23.6213 558347.6291 -14.5712 -14.6992 PRESSURE: 2488000 -52.0737 19.56 -15.6469 19.5605 13.9546 13.8059 -15.6475 13.8051 -229.328 GPRESSURE: 2488000 -12.2214 57.8052 -25.5806 -22.4087 89.0755 102.537 -27.1545 -1.58232 -241.021 PRESSAVG: 2488000 26.6145 -9.11937 -2.29418 -9.11938 22.4767 12.3922 -2.29424 12.3921 5.46329 GPRESSAVG: 2488000 27.4615 -12.8901 -2.25394 -7.48091 22.1975 13.5713 -2.66336 12.6533 4.61277 TIMING: 2488000 CPU: 7412.73, 0.00301563/step Wall: 7412.73, 0.00301563/step, 2.10424 hours remaining, 205.832031 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: 2488000 776.3406 2102.1066 1942.9374 124.9136 -205925.9390 17646.9497 0.0000 0.0000 34058.2601 -149274.4309 297.4393 -183332.6910 -149186.3340 299.0605 -89.1490 -54.7222 558053.8231 18.1848 18.0906 PRESSURE: 2488200 154.51 -166.046 183.291 -166.045 18.3962 102.105 183.292 102.104 213.006 GPRESSURE: 2488200 193.786 -164.399 97.5348 -108.37 67.2797 131.045 123.568 50.312 228.379 PRESSAVG: 2488200 0.159288 -8.4899 16.6606 -8.48989 43.6533 23.7927 16.6606 23.7928 -38.8822 GPRESSAVG: 2488200 0.0731791 -6.80399 15.776 -9.72121 42.5266 24.1963 16.7376 23.3429 -37.3498 TIMING: 2488200 CPU: 7413.33, 0.00299571/step Wall: 7413.33, 0.00299571/step, 2.09017 hours remaining, 205.832031 MB of memory in use. ENERGY: 2488200 715.2100 2096.4278 1960.9674 116.1563 -206422.5670 17999.7861 0.0000 0.0000 34438.7606 -149095.2589 300.7623 -183534.0195 -149004.0433 299.4180 128.6371 163.1485 558384.7457 1.6434 1.7500 LDB: ============= START OF LOAD BALANCING ============== 7416.77 LDB: ============== END OF LOAD BALANCING =============== 7416.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7416.77 LDB: ============= START OF LOAD BALANCING ============== 7417.07 LDB: Largest compute 4849 load 0.024779 is 21.0% of average load 0.118040 LDB: Average compute 0.001719 is 1.5% of average load 0.118040 LDB: TIME 7417.07 LOAD: AVG 0.11804 MAX 0.203516 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.398 MB LDB: TIME 7417.07 LOAD: AVG 0.11804 MAX 0.203516 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.602 MB LDB: TIME 7417.07 LOAD: AVG 0.11804 MAX 0.203516 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7417.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7417.08 PRESSURE: 2488400 -24.3253 76.7918 -39.309 76.7912 161.612 6.24827 -39.3094 6.2478 430.056 GPRESSURE: 2488400 5.97859 41.8885 -110.456 41.323 201.315 -47.4365 51.6076 21.7857 453.801 PRESSAVG: 2488400 -84.7182 -31.1169 18.457 -31.1168 39.658 -17.5081 18.457 -17.5082 42.3294 GPRESSAVG: 2488400 -84.4319 -31.4184 20.8905 -29.5927 40.8001 -16.7477 17.465 -19.1576 41.0119 TIMING: 2488400 CPU: 7413.95, 0.00308338/step Wall: 7413.95, 0.00308338/step, 2.15117 hours remaining, 205.765625 MB of memory in use. ENERGY: 2488400 771.6695 2149.7919 1963.8367 116.3458 -206304.5381 18147.4219 0.0000 0.0000 33944.8145 -149210.6578 296.4485 -183155.4723 -149112.3473 299.5824 189.1142 220.3647 558337.3447 -0.9103 -0.8733 PRESSURE: 2488600 329.571 124.076 22.162 124.075 21.1452 172.926 22.1615 172.925 343.391 GPRESSURE: 2488600 289.983 41.864 54.0168 240.221 123.959 38.0191 -16.6212 101.968 359.865 PRESSAVG: 2488600 -86.0676 17.2431 9.33867 17.2431 47.6181 -16.281 9.33876 -16.281 53.1571 GPRESSAVG: 2488600 -86.417 16.1869 6.37194 15.9762 46.3412 -18.0494 10.2065 -14.2115 54.2345 TIMING: 2488600 CPU: 7414.55, 0.00302005/step Wall: 7414.55, 0.00302006/step, 2.10682 hours remaining, 205.765625 MB of memory in use. ENERGY: 2488600 714.1741 2102.4289 1942.1288 111.1886 -206541.8417 18078.8847 0.0000 0.0000 34270.9659 -149322.0708 299.2969 -183593.0367 -149221.2562 299.3469 231.3691 257.9353 557147.0827 4.9025 4.7195 PRESSURE: 2488800 -209.097 -59.8302 -14.768 -59.8304 -261.425 108.317 -14.7665 108.317 -267.097 GPRESSURE: 2488800 -172.697 -31.6473 108.477 -6.78269 -249.318 79.2734 -27.0224 77.7919 -214.904 PRESSAVG: 2488800 37.3653 -57.6127 44.0112 -57.6127 -53.5113 -8.14251 44.0113 -8.14257 -54.4559 GPRESSAVG: 2488800 36.3058 -56.8182 44.0921 -56.9099 -52.6504 -6.70318 43.3142 -8.01352 -54.4975 TIMING: 2488800 CPU: 7415.15, 0.00300996/step Wall: 7415.15, 0.00300996/step, 2.09961 hours remaining, 205.765625 MB of memory in use. ENERGY: 2488800 773.5139 2084.4589 1940.2005 117.1842 -206180.0638 17626.8213 0.0000 0.0000 34307.0077 -149330.8773 299.6116 -183637.8850 -149224.5958 299.1748 -245.8728 -212.3062 559466.9989 -23.5339 -23.6140 PRESSURE: 2489000 68.8589 22.189 123.411 22.1901 -173.027 -3.0592 123.412 -3.05932 -56.1355 GPRESSURE: 2489000 76.6502 -69.7258 195.981 60.2978 -140.194 -33.1544 76.6022 -16.6876 1.98343 PRESSAVG: 2489000 27.3943 0.651773 23.4487 0.651672 -39.5784 -22.2451 23.4487 -22.2451 10.3618 GPRESSAVG: 2489000 27.1058 1.17186 24.8333 -1.23714 -40.2349 -25.4709 24.0287 -24.1151 10.864 TIMING: 2489000 CPU: 7415.76, 0.00300883/step Wall: 7415.76, 0.00300883/step, 2.09866 hours remaining, 205.765625 MB of memory in use. ENERGY: 2489000 768.3483 2074.1264 1947.6665 95.3140 -205959.4744 17623.1101 0.0000 0.0000 34167.5317 -149283.3773 298.3936 -183450.9090 -149196.9047 299.0878 -53.4345 -20.5202 558665.8382 -0.6075 -0.7550 PRESSURE: 2489200 -398.151 -49.4325 125.169 -49.4327 82.0753 -150.116 125.169 -150.116 88.7494 GPRESSURE: 2489200 -326.318 -16.6869 85.6563 -38.767 100.681 -68.5047 231.421 -194.743 80.1201 PRESSAVG: 2489200 -55.4374 41.8889 58.9826 41.889 10.6363 28.7092 58.9826 28.7093 14.6266 GPRESSAVG: 2489200 -53.3171 43.7229 57.3088 42.6314 10.4682 30.584 59.5237 28.8343 12.4729 TIMING: 2489200 CPU: 7416.36, 0.00301848/step Wall: 7416.36, 0.00301848/step, 2.10522 hours remaining, 205.765625 MB of memory in use. ENERGY: 2489200 765.2518 2093.6546 1971.1380 112.9608 -206142.9788 17627.3718 0.0000 0.0000 34380.3104 -149192.2915 300.2518 -183572.6019 -149088.8672 299.3367 -75.7754 -48.5055 557425.8128 -10.0582 -10.1253 PRESSURE: 2489400 -39.7602 -54.8459 -62.6217 -54.8459 -485.6 -26.9757 -62.6202 -26.9758 -43.4874 GPRESSURE: 2489400 -18.9311 -103.461 -186.27 -53.3352 -447.959 -82.2691 57.6939 -101.136 -13.9197 PRESSAVG: 2489400 -34.8284 38.7417 18.1846 38.7418 -22.8937 25.5659 18.1846 25.5659 74.7665 GPRESSAVG: 2489400 -36.3739 35.7005 19.3231 39.1484 -21.4567 24.4115 18.0313 29.4967 74.6098 TIMING: 2489400 CPU: 7416.96, 0.00300061/step Wall: 7416.96, 0.00300061/step, 2.09259 hours remaining, 205.765625 MB of memory in use. ENERGY: 2489400 778.5489 2100.5036 1959.3766 105.7636 -206228.8739 17592.5257 0.0000 0.0000 34336.2649 -149355.8906 299.8671 -183692.1555 -149261.2192 299.5929 -189.6160 -160.2699 557435.0925 5.6815 5.5931 PRESSURE: 2489600 -116.595 91.1488 -43.9336 91.1488 -44.3747 -60.3365 -43.9337 -60.3376 -283.774 GPRESSURE: 2489600 -130.353 166.93 -60.9744 91.7718 18.9116 10.3814 22.5995 -91.5402 -240.822 PRESSAVG: 2489600 -24.8268 44.038 -22.9497 44.038 47.1804 59.6733 -22.9496 59.6734 10.6007 GPRESSAVG: 2489600 -24.4787 46.0624 -24.5683 43.9632 45.5922 60.787 -23.9017 57.0667 11.6998 TIMING: 2489600 CPU: 7417.55, 0.00297155/step Wall: 7417.55, 0.00297155/step, 2.07216 hours remaining, 205.765625 MB of memory in use. ENERGY: 2489600 754.0905 2096.0924 1960.0588 103.6544 -206038.1194 17558.3329 0.0000 0.0000 34164.1992 -149401.6912 298.3644 -183565.8904 -149314.7791 298.9242 -148.2478 -117.4211 557513.4283 10.9847 10.9378 PRESSURE: 2489800 -41.2077 -0.278157 -70.9913 -0.277393 -59.8122 16.7212 -70.9899 16.7219 -109.809 GPRESSURE: 2489800 -55.7071 67.5572 -21.9603 -112.347 19.1182 -21.137 -91.15 -21.3751 -68.6407 PRESSAVG: 2489800 20.3775 -54.6808 22.9306 -54.6808 18.0361 34.0059 22.9307 34.0059 -16.5108 GPRESSAVG: 2489800 21.5259 -54.5346 23.7176 -55.3176 17.3713 35.8471 23.63 33.7551 -16.5645 TIMING: 2489800 CPU: 7418.15, 0.00297819/step Wall: 7418.15, 0.00297819/step, 2.07663 hours remaining, 205.765625 MB of memory in use. ENERGY: 2489800 764.4611 2075.5575 1979.3475 122.0387 -206711.7910 17937.9911 0.0000 0.0000 34327.6631 -149504.7320 299.7920 -183832.3951 -149407.8771 299.0585 -70.2762 -35.0765 558025.4582 7.3010 7.4443 PRESSURE: 2490000 -192.851 -96.8396 9.17316 -96.8397 -201.467 175.653 9.17324 175.652 -143.397 GPRESSURE: 2490000 -149.95 -53.8861 -3.21882 -163.004 -191.341 225.546 31.4278 123.786 -111.626 PRESSAVG: 2490000 21.2613 -47.4351 20.9601 -47.4352 -41.3527 39.6494 20.9602 39.6495 3.57101 GPRESSAVG: 2490000 20.3737 -49.7792 21.4881 -46.608 -41.6527 38.7085 21.8459 40.3496 4.1573 TIMING: 2490000 CPU: 7418.75, 0.00298386/step Wall: 7418.75, 0.00298386/step, 2.08041 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: 2490000 788.8471 2137.2090 1923.6728 101.8393 -206547.2455 17932.0821 0.0000 0.0000 34139.4577 -149524.1374 298.1484 -183663.5952 -149434.4823 298.2947 -179.2385 -150.9723 558767.0950 -5.5068 -5.7072 PRESSURE: 2490200 -187.363 137.798 -102.129 137.798 -181.392 -233.401 -102.129 -233.403 -188.325 GPRESSURE: 2490200 -174.682 18.9524 -144.22 179.658 -134.207 -234.767 -117.937 -169.185 -153.457 PRESSAVG: 2490200 -4.55943 -10.5994 29.0922 -10.5994 47.026 11.652 29.0922 11.6521 19.0695 GPRESSAVG: 2490200 -4.59287 -11.826 29.347 -11.1506 47.2441 10.7385 29.5593 12.6804 18.8019 TIMING: 2490200 CPU: 7419.35, 0.00302333/step Wall: 7419.35, 0.00302333/step, 2.10776 hours remaining, 205.765625 MB of memory in use. ENERGY: 2490200 744.5524 2068.4824 1953.4570 109.2541 -206519.5979 17796.5347 0.0000 0.0000 34455.1149 -149392.2025 300.9051 -183847.3174 -149293.6601 299.0372 -185.6935 -154.1155 558502.7544 20.5120 20.4844 PRESSURE: 2490400 -82.6545 116.983 -43.5663 116.983 -163.264 -79.7801 -43.5661 -79.7798 -14.2741 GPRESSURE: 2490400 -21.1897 83.7426 95.747 81.63 -120.919 -145.582 -35.5457 -58.3459 -23.5315 PRESSAVG: 2490400 -49.9951 -6.53397 36.8396 -6.53396 18.1371 -51.9367 36.8396 -51.9366 42.299 GPRESSAVG: 2490400 -50.5167 -5.53831 36.8485 -6.53315 17.9479 -50.4452 37.9554 -53.5155 42.6139 TIMING: 2490400 CPU: 7419.95, 0.00300403/step Wall: 7419.95, 0.00300403/step, 2.09414 hours remaining, 205.765625 MB of memory in use. ENERGY: 2490400 719.4710 2049.8549 1962.8941 109.9701 -206033.3582 17585.7277 0.0000 0.0000 34145.3072 -149460.1333 298.1995 -183605.4404 -149363.7577 298.9344 -86.7308 -55.2135 557750.4093 3.4803 3.3484 PRESSURE: 2490600 -117.849 58.0738 -58.4915 58.0733 -121.797 -25.1996 -58.4904 -25.1988 90.8006 GPRESSURE: 2490600 -38.735 -26.3804 14.3518 48.8469 -126.427 10.001 -95.4142 34.4333 123.281 PRESSAVG: 2490600 36.9657 7.45803 35.7825 7.45803 -1.3457 -8.80237 35.7826 -8.80218 -26.6461 GPRESSAVG: 2490600 37.083 7.28111 35.028 8.18721 -0.773986 -9.43348 37.6706 -7.72847 -26.7978 TIMING: 2490600 CPU: 7420.55, 0.00298274/step Wall: 7420.55, 0.00298274/step, 2.07913 hours remaining, 205.765625 MB of memory in use. ENERGY: 2490600 721.3871 2101.8330 1940.9907 106.3713 -206531.4166 17880.5875 0.0000 0.0000 34189.4382 -149590.8088 298.5849 -183780.2470 -149497.9046 298.5971 -49.6154 -13.9604 557017.3389 2.9913 3.1704 PRESSURE: 2490800 -162.496 -74.3513 202.037 -74.3503 -107.49 -3.07845 202.036 -3.07962 -109.094 GPRESSURE: 2490800 -42.3367 -45.7827 121.86 -120.888 -85.2744 20.978 162.702 39.1919 -142.982 PRESSAVG: 2490800 2.40286 16.2248 -55.3807 16.2248 -47.0011 -58.4422 -55.3806 -58.4422 42.0125 GPRESSAVG: 2490800 3.34407 15.6728 -55.3424 15.3501 -46.2988 -58.4155 -58.8636 -57.9885 40.8498 TIMING: 2490800 CPU: 7421.14, 0.00297933/step Wall: 7421.14, 0.00297933/step, 2.07659 hours remaining, 205.765625 MB of memory in use. ENERGY: 2490800 769.4761 2018.2511 1942.0341 122.8557 -206286.3941 17832.4397 0.0000 0.0000 34045.7041 -149555.6333 297.3296 -183601.3374 -149459.5349 298.1475 -126.3602 -90.1977 557616.6560 -0.8619 -0.7016 PRESSURE: 2491000 -20.5905 -79.1118 6.6354 -79.1123 -192.73 114.459 6.63663 114.457 -139.612 GPRESSURE: 2491000 -4.35383 -44.7879 39.0249 -59.7318 -137.323 196.684 62.034 38.571 -106.484 PRESSAVG: 2491000 -44.05 -27.5634 18.2976 -27.5633 -2.65813 31.2729 18.2976 31.2729 57.3379 GPRESSAVG: 2491000 -43.9492 -26.6304 18.2313 -27.718 -3.46552 30.686 21.0127 30.7613 57.8904 TIMING: 2491000 CPU: 7421.74, 0.00298599/step Wall: 7421.74, 0.00298599/step, 2.08107 hours remaining, 205.765625 MB of memory in use. ENERGY: 2491000 774.8999 2070.3426 1953.3893 100.0796 -206268.2887 17701.1448 0.0000 0.0000 34309.4861 -149358.9463 299.6333 -183668.4324 -149257.4489 298.0976 -117.6441 -82.7200 557220.9433 3.5432 3.4919 PRESSURE: 2491200 229.812 -56.3729 197.93 -56.373 21.5233 -137.453 197.931 -137.452 -78.8469 GPRESSURE: 2491200 324.306 -13.3363 200.709 -129.595 6.78081 -245.955 198.19 -54.4231 -72.5943 PRESSAVG: 2491200 -20.1658 -21.7428 -7.27832 -21.7428 -54.108 4.12905 -7.27835 4.12912 46.8165 GPRESSAVG: 2491200 -20.6063 -21.8707 -7.53989 -22.4404 -55.3712 3.60849 -9.05364 3.60483 47.9736 TIMING: 2491200 CPU: 7422.35, 0.00302539/step Wall: 7422.35, 0.00302539/step, 2.10836 hours remaining, 205.765625 MB of memory in use. ENERGY: 2491200 754.9010 2087.2158 1924.4138 109.1709 -206516.2753 17988.0435 0.0000 0.0000 34155.9236 -149496.6067 298.2922 -183652.5303 -149406.5726 298.1708 57.4962 86.1642 556855.2464 -9.1524 -9.3346 PRESSURE: 2491400 -64.4551 12.0764 36.9672 12.0749 -80.2597 -29.7198 36.9665 -29.72 -149.552 GPRESSURE: 2491400 -68.4097 49.4497 -43.4233 70.0721 -34.476 -45.6378 88.7498 -40.5599 -106.397 PRESSAVG: 2491400 7.31604 -7.62965 33.7959 -7.62969 38.1939 -35.6762 33.7959 -35.6761 16.3527 GPRESSAVG: 2491400 6.8742 -5.96948 33.4173 -5.07191 39.1457 -35.8855 35.2291 -36.5585 15.3969 TIMING: 2491400 CPU: 7422.95, 0.00302063/step Wall: 7422.95, 0.00302063/step, 2.10488 hours remaining, 205.765625 MB of memory in use. ENERGY: 2491400 768.1267 2095.4623 1956.5458 112.5851 -206201.8594 17778.5137 0.0000 0.0000 34106.8377 -149383.7882 297.8635 -183490.6259 -149285.6358 298.7845 -98.0891 -69.7609 556594.2887 20.6209 20.4723 PRESSURE: 2491600 -283.113 155.53 -178.338 155.53 -134.298 -1.78735 -178.338 -1.78619 -395.206 GPRESSURE: 2491600 -187.633 214.626 -123.819 52.8768 -96.6147 -31.8289 -172.788 48.6428 -424.301 PRESSAVG: 2491600 16.8047 42.5647 -23.3574 42.5648 -30.0726 13.9214 -23.3575 13.9213 -12.0611 GPRESSAVG: 2491600 16.8405 41.4454 -22.8368 40.5002 -29.3991 14.5626 -22.5591 16.4828 -12.9324 TIMING: 2491600 CPU: 7423.56, 0.00302195/step Wall: 7423.56, 0.00302195/step, 2.10562 hours remaining, 205.765625 MB of memory in use. ENERGY: 2491600 766.9632 2129.8134 1937.9622 127.2916 -206185.9141 17468.9696 0.0000 0.0000 34372.5747 -149382.3394 300.1842 -183754.9141 -149289.7550 299.0959 -270.8728 -236.1828 556030.5207 -8.4430 -8.4970 PRESSURE: 2491800 300.745 157.501 -141.753 157.502 207.502 85.8136 -141.752 85.8134 204.018 GPRESSURE: 2491800 340.372 98.4046 -168.727 188.274 271.687 114.301 -198.181 87.0106 192.695 PRESSAVG: 2491800 19.918 1.35242 -19.5074 1.35236 -17.3585 43.6421 -19.5075 43.6421 -20.0326 GPRESSAVG: 2491800 19.578 0.517155 -17.0017 2.34487 -16.9237 44.1154 -20.4719 42.5701 -19.8698 TIMING: 2491800 CPU: 7424.16, 0.00301177/step Wall: 7424.16, 0.00301177/step, 2.09837 hours remaining, 205.765625 MB of memory in use. ENERGY: 2491800 751.6260 2082.1137 1970.7789 127.4233 -206846.0628 18015.0738 0.0000 0.0000 34463.4784 -149435.5687 300.9781 -183899.0471 -149339.3317 299.1286 237.4218 268.2511 553963.2201 -5.8243 -5.7385 PRESSURE: 2492000 -48.9886 188.903 -20.2865 188.903 87.3495 151.802 -20.2877 151.801 -95.1658 GPRESSURE: 2492000 -44.6755 124.496 -15.2787 217.408 161.35 147.629 45.1954 198.696 -76.1534 PRESSAVG: 2492000 -38.4689 18.0753 -60.598 18.0753 45.3548 37.5962 -60.598 37.5962 25.6114 GPRESSAVG: 2492000 -38.7355 18.3317 -63.8397 18.9786 45.6063 37.5706 -59.5864 37.9292 25.5929 TIMING: 2492000 CPU: 7424.76, 0.00300317/step Wall: 7424.76, 0.00300317/step, 2.09221 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: 2492000 756.0923 2063.3404 1951.6387 124.4374 -206475.1393 17797.9697 0.0000 0.0000 34357.2920 -149424.3687 300.0508 -183781.6607 -149331.0319 298.6626 -18.9350 13.5071 555955.4878 10.8324 10.8212 PRESSURE: 2492200 182.418 16.6838 11.4235 16.6845 -56.2026 -1.57872 11.4247 -1.5794 70.8463 GPRESSURE: 2492200 203.487 -61.1037 104.575 -41.5155 -1.61737 -47.2844 -27.1806 -67.5409 92.7835 PRESSAVG: 2492200 73.1501 62.5546 0.0172299 62.5546 -52.7656 36.6693 0.0172639 36.6693 -3.0888 GPRESSAVG: 2492200 73.6001 63.5395 3.0826 62.0282 -54.026 34.3049 -1.57108 37.0287 -2.60806 TIMING: 2492200 CPU: 7425.36, 0.00302671/step Wall: 7425.36, 0.00302671/step, 2.10844 hours remaining, 205.765625 MB of memory in use. ENERGY: 2492200 772.0390 2095.3021 1957.2888 128.4115 -206410.8932 17979.5508 0.0000 0.0000 34167.3402 -149310.9608 298.3919 -183478.3010 -149214.2651 298.5128 65.6873 98.2176 556563.1504 5.7652 5.6554 LDB: ============= START OF LOAD BALANCING ============== 7428.79 LDB: ============== END OF LOAD BALANCING =============== 7428.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7428.79 LDB: ============= START OF LOAD BALANCING ============== 7429.09 LDB: Largest compute 4821 load 0.025176 is 21.3% of average load 0.118043 LDB: Average compute 0.001723 is 1.5% of average load 0.118043 LDB: TIME 7429.09 LOAD: AVG 0.118043 MAX 0.201577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.109 MB LDB: TIME 7429.09 LOAD: AVG 0.118043 MAX 0.201577 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.309 MB LDB: TIME 7429.09 LOAD: AVG 0.118043 MAX 0.201577 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.309 MB LDB: ============== END OF LOAD BALANCING =============== 7429.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7429.1 PRESSURE: 2492400 -83.5275 -82.3044 -95.2327 -82.3038 -101.289 -63.45 -95.2341 -63.4491 -156.895 GPRESSURE: 2492400 -73.404 -142.122 -28.3112 -121.991 -46.7799 -55.9438 -121.393 -45.5639 -122.397 PRESSAVG: 2492400 -7.61729 -5.13519 -25.9921 -5.13512 2.87652 -52.5032 -25.9922 -52.5032 -15.7569 GPRESSAVG: 2492400 -7.93904 -6.4453 -27.4953 -2.91605 3.86288 -50.4612 -22.7038 -53.5816 -15.7061 TIMING: 2492400 CPU: 7425.97, 0.00303703/step Wall: 7425.97, 0.00303703/step, 2.11546 hours remaining, 206.511719 MB of memory in use. ENERGY: 2492400 715.5888 2112.4606 1940.9556 116.5396 -206112.3758 17731.9859 0.0000 0.0000 34127.7339 -149367.1113 298.0460 -183494.8453 -149268.8092 298.4799 -113.9040 -80.8603 559386.0212 -6.8326 -6.5941 PRESSURE: 2492600 60.8443 -35.5767 28.5768 -35.5782 -1.77279 211.81 28.5757 211.811 71.5987 GPRESSURE: 2492600 118.48 15.154 61.1151 -47.8352 13.7183 125.598 48.2006 208.134 85.1807 PRESSAVG: 2492600 -22.9731 1.53277 6.23964 1.53272 -21.5646 -22.6117 6.23966 -22.6117 50.7563 GPRESSAVG: 2492600 -22.2531 1.40612 6.42561 -0.889053 -22.1748 -23.1298 2.17679 -20.904 50.0803 TIMING: 2492600 CPU: 7426.57, 0.00298369/step Wall: 7426.57, 0.00298369/step, 2.07814 hours remaining, 206.511719 MB of memory in use. ENERGY: 2492600 717.9658 2121.9930 1971.8384 108.2884 -206148.4798 17820.9743 0.0000 0.0000 34209.9399 -149197.4800 298.7639 -183407.4199 -149101.2853 298.7901 43.5567 72.4598 558450.0439 2.0729 1.8841 PRESSURE: 2492800 -158.06 67.5249 -27.0185 67.5266 -79.3412 -162.483 -27.0181 -162.483 -277.9 GPRESSURE: 2492800 -104.688 122.391 -55.3343 14.0903 -56.1382 -247.131 0.94346 -137.395 -269.634 PRESSAVG: 2492800 12.6667 -14.88 -7.0838 -14.8799 11.8975 3.97018 -7.08369 3.9701 -30.6684 GPRESSAVG: 2492800 12.8035 -14.6542 -7.91269 -14.6073 11.4761 5.30114 -4.90018 1.93908 -30.1633 TIMING: 2492800 CPU: 7427.17, 0.00299008/step Wall: 7427.17, 0.00299008/step, 2.08242 hours remaining, 206.511719 MB of memory in use. ENERGY: 2492800 718.8521 2169.8658 1951.4896 113.1989 -205806.3023 17508.8425 0.0000 0.0000 34136.9497 -149207.1036 298.1265 -183344.0533 -149117.1184 298.7556 -171.7671 -143.4868 559241.3743 -2.0347 -1.9612 PRESSURE: 2493000 -166.479 11.9091 37.6936 11.9088 -232.337 77.9817 37.6935 77.9824 -10.5737 GPRESSURE: 2493000 -117.01 9.57075 68.9136 -103.073 -253.039 52.1075 64.2477 112.694 66.1677 PRESSAVG: 2493000 23.8366 50.0713 -2.28907 50.0713 -19.5707 -8.87472 -2.28907 -8.87472 27.6694 GPRESSAVG: 2493000 23.0784 50.2973 -2.36996 48.9093 -19.5781 -10.0361 -2.69226 -8.04912 27.9294 TIMING: 2493000 CPU: 7427.76, 0.00297431/step Wall: 7427.76, 0.00297431/step, 2.07127 hours remaining, 206.511719 MB of memory in use. ENERGY: 2493000 744.2568 2118.8254 1947.8156 117.5454 -206000.6760 17669.8951 0.0000 0.0000 34453.0098 -148949.3280 300.8867 -183402.3378 -148852.9433 299.5535 -136.4632 -101.2935 557426.1463 10.6451 10.4766 PRESSURE: 2493200 36.5423 161.255 79.9214 161.255 -88.7683 184.6 79.923 184.601 -75.0509 GPRESSURE: 2493200 45.7368 129.184 25.4599 188.201 -67.0399 209.621 95.1518 58.4224 -3.65305 PRESSAVG: 2493200 1.17676 51.5606 -21.849 51.5607 -23.3994 3.87861 -21.849 3.87869 24.4575 GPRESSAVG: 2493200 0.738852 52.1949 -20.1357 51.9891 -23.019 4.19071 -22.6448 4.47526 24.8685 TIMING: 2493200 CPU: 7428.36, 0.0029955/step Wall: 7428.36, 0.0029955/step, 2.08586 hours remaining, 206.511719 MB of memory in use. ENERGY: 2493200 752.3978 2073.2358 1943.2145 103.2553 -205554.2013 17470.4830 0.0000 0.0000 34257.8013 -148953.8136 299.1819 -183211.6149 -148847.4009 299.9609 -42.4257 -8.3187 557409.1274 0.7450 0.8628 PRESSURE: 2493400 -286.073 116.915 50.5049 116.914 5.51523 79.5828 50.5053 79.5811 -353.857 GPRESSURE: 2493400 -254.959 47.3742 58.227 174.543 28.3545 76.2285 55.6591 48.2342 -310.883 PRESSAVG: 2493400 -5.4693 7.02523 -12.8675 7.02525 13.5704 2.43874 -12.8674 2.43863 12.3289 GPRESSAVG: 2493400 -5.52226 6.84736 -14.0876 7.93412 13.52 2.39283 -12.863 0.483611 11.63 TIMING: 2493400 CPU: 7428.96, 0.00301854/step Wall: 7428.96, 0.00301854/step, 2.10174 hours remaining, 206.511719 MB of memory in use. ENERGY: 2493400 749.5308 2137.0585 1939.5944 101.1978 -205984.2602 17586.1841 0.0000 0.0000 34130.3794 -149340.3154 298.0691 -183470.6947 -149244.5446 299.1412 -211.4715 -179.1623 558650.6490 6.8100 6.5426 PRESSURE: 2493600 299.411 -50.995 -109.275 -50.9943 204.592 143.858 -109.274 143.858 45.3347 GPRESSURE: 2493600 278.422 -31.6246 -184.49 -30.2808 274.793 87.3738 -101.798 129.841 91.045 PRESSAVG: 2493600 -8.54619 -0.795111 -22.3629 -0.795141 50.4001 -18.2853 -22.3629 -18.2853 -22.2469 GPRESSAVG: 2493600 -9.46348 -0.783648 -23.225 -1.36463 50.0456 -17.3118 -21.3601 -17.3982 -21.1051 TIMING: 2493600 CPU: 7429.57, 0.00301462/step Wall: 7429.57, 0.00301462/step, 2.09885 hours remaining, 206.511719 MB of memory in use. ENERGY: 2493600 757.7346 2108.1534 1944.2189 108.0575 -206512.9068 18122.5857 0.0000 0.0000 34084.1208 -149388.0360 297.6651 -183472.1568 -149294.8336 298.5463 183.1129 214.7536 557146.3302 6.5357 6.4924 PRESSURE: 2493800 -213.138 -57.5724 50.8344 -57.5719 -28.5596 -211.66 50.8347 -211.66 171.385 GPRESSURE: 2493800 -134.307 -3.30714 20.0054 -88.1889 -28.3698 -228.767 -22.5156 -179.341 188.489 PRESSAVG: 2493800 32.5194 -11.9216 64.1513 -11.9217 -18.4255 28.3985 64.1513 28.3984 13.1943 GPRESSAVG: 2493800 33.7074 -11.6907 66.7235 -13.6908 -17.4898 29.4436 62.2854 28.2711 11.8899 TIMING: 2493800 CPU: 7430.17, 0.00300007/step Wall: 7430.17, 0.00300007/step, 2.08855 hours remaining, 206.511719 MB of memory in use. ENERGY: 2493800 764.8549 2110.0472 1954.4319 116.4191 -206321.7533 17772.1842 0.0000 0.0000 34248.1269 -149355.6891 299.0974 -183603.8161 -149258.7228 299.2655 -23.4374 8.6041 556549.5270 9.0961 9.3692 PRESSURE: 2494000 -122.027 95.2073 -28.8055 95.2084 226.722 110.055 -28.8055 110.055 85.9531 GPRESSURE: 2494000 -78.0582 68.8667 -5.68753 34.6894 231.345 169.761 3.10556 74.5454 134.277 PRESSAVG: 2494000 -9.92742 -43.0696 -2.7776 -43.0695 -14.8701 40.255 -2.77747 40.255 19.8997 GPRESSAVG: 2494000 -10.7546 -43.4623 -5.18026 -43.1012 -16.0227 38.2737 -1.69489 41.27 21.4328 TIMING: 2494000 CPU: 7430.77, 0.0030088/step Wall: 7430.77, 0.0030088/step, 2.09446 hours remaining, 206.511719 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: 2494000 759.7740 2127.8216 1946.4245 113.4044 -206672.1438 17988.5763 0.0000 0.0000 34283.0774 -149453.0656 299.4026 -183736.1430 -149365.1618 298.7105 63.5493 95.8549 555734.2505 -1.6326 -1.7815 PRESSURE: 2494200 13.1514 -24.0692 -81.3386 -24.0697 -43.3372 98.4624 -81.337 98.4621 -105.343 GPRESSURE: 2494200 17.673 -60.4296 -52.5867 22.5337 -15.0835 87.9405 -88.2483 78.0278 -35.3104 PRESSAVG: 2494200 28.721 -6.81278 -11.2016 -6.81277 -64.0353 -15.0237 -11.2016 -15.0237 49.9224 GPRESSAVG: 2494200 29.378 -5.62839 -8.9019 -6.51511 -62.6963 -14.1157 -13.1471 -14.5967 48.2069 TIMING: 2494200 CPU: 7431.37, 0.00302299/step Wall: 7431.37, 0.00302299/step, 2.10417 hours remaining, 206.511719 MB of memory in use. ENERGY: 2494200 749.8123 2087.9340 1929.3368 120.2580 -206606.2242 17911.5843 0.0000 0.0000 34283.8772 -149523.4215 299.4096 -183807.2988 -149427.5613 298.6766 -45.1763 -10.9070 556852.7838 4.8694 4.9629 PRESSURE: 2494400 204.56 14.2371 -53.3629 14.2369 132.048 98.4485 -53.3638 98.4461 150.057 GPRESSURE: 2494400 255.621 -22.0214 -38.448 36.1716 149.399 118.159 -115.952 117.397 163.089 PRESSAVG: 2494400 49.4132 -24.9598 39.6727 -24.9599 -70.4452 13.4645 39.6728 13.4645 52.8959 GPRESSAVG: 2494400 50.0268 -26.551 40.74 -24.8671 -72.06 12.0838 40.002 12.239 53.5427 TIMING: 2494400 CPU: 7431.98, 0.00302478/step Wall: 7431.98, 0.00302477/step, 2.10524 hours remaining, 206.511719 MB of memory in use. ENERGY: 2494400 745.6752 2097.5308 1959.6962 110.4010 -206606.5902 18042.8538 0.0000 0.0000 34125.4035 -149525.0298 298.0256 -183650.4333 -149422.2003 298.2548 162.2217 189.3696 556309.3047 10.6213 10.5032 PRESSURE: 2494600 -35.1406 151.394 -123.695 151.394 -14.1969 34.1067 -123.696 34.1061 328.075 GPRESSURE: 2494600 -3.66079 209.814 -127.986 118.673 28.3947 32.3543 -131.417 48.5571 355.702 PRESSAVG: 2494600 -23.9689 1.93136 19.2857 1.93132 -57.4501 -15.9112 19.2857 -15.9111 101.22 GPRESSAVG: 2494600 -23.6081 3.47323 15.4402 -0.16414 -57.4636 -13.7759 20.9286 -14.7686 101.335 TIMING: 2494600 CPU: 7432.58, 0.00302424/step Wall: 7432.58, 0.00302424/step, 2.10471 hours remaining, 206.511719 MB of memory in use. ENERGY: 2494600 745.6402 2169.4330 1948.3714 100.7916 -206909.8391 17982.2314 0.0000 0.0000 34432.1684 -149531.2031 300.7047 -183963.3715 -149444.0071 298.2095 92.9125 126.8120 554805.9696 6.6003 6.7546 PRESSURE: 2494800 -275.789 -192.258 -3.12928 -192.258 -26.6192 -60.3196 -3.1305 -60.3207 -232.212 GPRESSURE: 2494800 -223.998 -182.856 26.8612 -66.3821 -21.5523 -94.7188 -44.0155 -80.7115 -185.8 PRESSAVG: 2494800 23.682 14.4262 16.2851 14.4263 2.98398 -35.601 16.285 -35.601 3.03926 GPRESSAVG: 2494800 22.3463 14.8671 18.3344 16.1158 4.21404 -34.6863 13.964 -37.7594 3.45798 TIMING: 2494800 CPU: 7433.19, 0.00302972/step Wall: 7433.19, 0.00302972/step, 2.10835 hours remaining, 206.511719 MB of memory in use. ENERGY: 2494800 748.6970 2117.5979 1943.6790 128.8371 -206316.1847 17679.6541 0.0000 0.0000 34176.0977 -149521.6219 298.4684 -183697.7196 -149420.3553 298.6785 -178.2066 -143.7833 558665.7634 9.9018 10.0061 PRESSURE: 2495000 -6.27025 94.922 -26.6126 94.9226 -188.092 -60.8439 -26.6134 -60.8448 63.9653 GPRESSURE: 2495000 64.0327 105.479 -57.0399 128.635 -165.355 -34.7704 -8.92773 -32.2271 59.6873 PRESSAVG: 2495000 -21.3964 -27.2028 1.48146 -27.2027 34.5578 -13.5335 1.48146 -13.5335 -59.8034 GPRESSAVG: 2495000 -19.8239 -27.9267 -0.220199 -27.3968 33.9337 -14.6982 4.96606 -11.8675 -60.5619 TIMING: 2495000 CPU: 7433.79, 0.00302179/step Wall: 7433.79, 0.00302179/step, 2.10266 hours remaining, 206.511719 MB of memory in use. ENERGY: 2495000 760.3560 2156.7881 1944.8515 120.6216 -206501.6913 17864.4475 0.0000 0.0000 34220.9613 -149433.6654 298.8602 -183654.6266 -149340.3095 298.1539 -43.4657 -13.8784 556974.5641 -15.5473 -15.4840 PRESSURE: 2495200 -29.4534 111.124 43.0103 111.124 -139.284 4.50564 43.0102 4.50551 -95.6131 GPRESSURE: 2495200 84.8749 43.2142 87.5884 118.421 -145.277 62.4855 25.0922 24.5527 -99.3621 PRESSAVG: 2495200 2.02877 36.0765 -40.9737 36.0765 34.6712 -27.5653 -40.9737 -27.5653 12.017 GPRESSAVG: 2495200 2.68602 35.2491 -39.1849 37.8702 34.8463 -26.9202 -42.0768 -28.2267 11.4862 TIMING: 2495200 CPU: 7434.4, 0.00303492/step Wall: 7434.4, 0.00303492/step, 2.11163 hours remaining, 206.511719 MB of memory in use. ENERGY: 2495200 755.1120 2081.8091 1941.6433 96.7017 -206236.1452 17728.6603 0.0000 0.0000 34312.9361 -149319.2826 299.6634 -183632.2187 -149220.4325 298.9414 -88.1168 -53.2549 556110.7623 16.2390 16.3395 PRESSURE: 2495400 -249.706 -116.065 22.6045 -116.067 -78.1416 85.5895 22.6052 85.5892 -228.875 GPRESSURE: 2495400 -187.27 -77.7089 14.6703 -94.3987 -47.0493 71.4427 6.97819 30.7026 -223.289 PRESSAVG: 2495400 11.8968 42.3786 -32.8174 42.3785 27.7212 -19.5413 -32.8174 -19.5413 -37.7212 GPRESSAVG: 2495400 11.5948 42.7046 -33.1109 42.6375 27.1083 -22.1826 -34.1452 -18.7832 -37.1103 TIMING: 2495400 CPU: 7435, 0.00301992/step Wall: 7435, 0.00301992/step, 2.10102 hours remaining, 206.511719 MB of memory in use. ENERGY: 2495400 730.2313 2150.1246 1931.7641 116.8243 -205848.4402 17363.2367 0.0000 0.0000 34342.2693 -149213.9900 299.9196 -183556.2592 -149112.4960 299.0433 -185.5744 -152.5359 557456.0207 0.6323 0.5309 PRESSURE: 2495600 -56.8596 -14.2107 110.427 -14.2117 -266.08 -113.202 110.427 -113.204 39.2413 GPRESSURE: 2495600 -60.7358 -37.3961 206.983 -15.9678 -163.911 -60.7784 13.9216 -91.3001 40.2719 PRESSAVG: 2495600 -51.7783 48.3091 17.8262 48.309 48.777 -57.0879 17.8262 -57.0877 9.00573 GPRESSAVG: 2495600 -52.2781 48.0859 18.5983 47.7101 48.5592 -53.8123 17.9335 -57.4108 9.96539 TIMING: 2495600 CPU: 7435.61, 0.0030241/step Wall: 7435.61, 0.00302409/step, 2.10376 hours remaining, 206.511719 MB of memory in use. ENERGY: 2495600 782.7069 2103.9433 1949.1027 113.7396 -206058.9995 17768.7563 0.0000 0.0000 34183.6406 -149157.1101 298.5342 -183340.7507 -149067.0965 299.0850 -94.5661 -61.4582 558193.4224 2.0015 2.0822 PRESSURE: 2495800 -144.815 96.2113 -124.152 96.2133 -195.502 -68.1332 -124.152 -68.1342 74.3025 GPRESSURE: 2495800 -59.7031 196.22 -147.767 35.5717 -203.143 -29.1023 -121.16 -158.638 90.759 PRESSAVG: 2495800 -4.04793 28.5775 -54.1946 28.5776 -30.6377 8.26476 -54.1945 8.26469 67.3961 GPRESSAVG: 2495800 -4.08121 30.3051 -54.1224 28.9345 -29.4188 6.65671 -54.4024 8.14393 66.0807 TIMING: 2495800 CPU: 7436.21, 0.00301928/step Wall: 7436.21, 0.00301928/step, 2.10024 hours remaining, 206.511719 MB of memory in use. ENERGY: 2495800 784.1778 2056.0826 1984.7183 120.2209 -206283.8633 17936.6308 0.0000 0.0000 34262.0099 -149140.0230 299.2187 -183402.0330 -149036.5953 299.3459 -88.6715 -57.3622 559158.5245 10.9035 10.8602 PRESSURE: 2496000 -16.9756 82.6761 -156.268 82.6768 -13.8707 -170.664 -156.269 -170.664 -146.241 GPRESSURE: 2496000 5.89923 65.3466 -115.605 74.2294 34.1052 -234.434 -217.642 -126.432 -118.377 PRESSAVG: 2496000 -23.8181 -4.84186 -17.1895 -4.84185 -13.1217 -40.9926 -17.1896 -40.9926 56.2237 GPRESSAVG: 2496000 -24.4633 -4.50346 -18.1181 -6.32234 -13.6993 -39.5291 -16.5267 -40.9899 57.5007 TIMING: 2496000 CPU: 7436.82, 0.00301317/step Wall: 7436.82, 0.00301317/step, 2.09583 hours remaining, 206.511719 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: 2496000 719.0348 2088.3896 1942.7528 122.3021 -205693.6586 17626.3181 0.0000 0.0000 34129.2364 -149065.6247 298.0591 -183194.8611 -148976.3556 300.0486 -59.0290 -26.1243 559199.1341 6.4280 6.4460 PRESSURE: 2496200 184.814 177.126 -68.4558 177.126 -40.7972 12.5358 -68.4567 12.5363 60.719 GPRESSURE: 2496200 226.966 197.126 -141.9 171.889 12.5604 97.9354 -53.3609 -52.1882 65.0482 PRESSAVG: 2496200 -28.6155 -38.7991 12.2564 -38.7991 35.4879 -12.8814 12.2565 -12.8814 -5.5848 GPRESSAVG: 2496200 -27.5447 -40.293 13.2666 -37.3302 35.71 -15.1119 12.3747 -11.1206 -6.61324 TIMING: 2496200 CPU: 7437.42, 0.00300761/step Wall: 7437.42, 0.00300761/step, 2.09179 hours remaining, 206.511719 MB of memory in use. ENERGY: 2496200 718.0210 2084.2608 1961.5382 120.8290 -206277.3610 18002.9749 0.0000 0.0000 34226.7679 -149162.9692 298.9109 -183389.7371 -149067.1194 299.0837 68.2452 101.5249 558982.3597 0.4292 0.5174 LDB: ============= START OF LOAD BALANCING ============== 7440.85 LDB: ============== END OF LOAD BALANCING =============== 7440.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7440.85 LDB: ============= START OF LOAD BALANCING ============== 7441.15 LDB: Largest compute 4821 load 0.024158 is 20.5% of average load 0.118041 LDB: Average compute 0.001717 is 1.5% of average load 0.118041 LDB: TIME 7441.15 LOAD: AVG 0.118041 MAX 0.203623 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.539 MB LDB: TIME 7441.15 LOAD: AVG 0.118041 MAX 0.203623 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.746 MB LDB: TIME 7441.15 LOAD: AVG 0.118041 MAX 0.203623 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.746 MB LDB: ============== END OF LOAD BALANCING =============== 7441.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7441.15 PRESSURE: 2496400 231.706 -18.2667 -187.553 -18.2644 309.707 -169.997 -187.553 -169.995 19.2423 GPRESSURE: 2496400 249.951 -44.085 -186.423 -44.1359 365.684 -119.613 -148.224 -186.894 57.664 PRESSAVG: 2496400 11.6448 64.8944 -16.8503 64.8946 -50.0193 22.3232 -16.8503 22.3232 9.30964 GPRESSAVG: 2496400 11.1575 65.013 -17.3478 63.3899 -50.0687 23.0939 -17.0516 20.9001 10.0196 TIMING: 2496400 CPU: 7438.03, 0.00304336/step Wall: 7438.03, 0.00304336/step, 2.11649 hours remaining, 206.574219 MB of memory in use. ENERGY: 2496400 730.6872 2133.3891 1968.7304 123.2050 -206278.0098 18053.4562 0.0000 0.0000 34127.6566 -149140.8852 298.0453 -183268.5418 -149038.5747 299.0808 186.8851 224.4329 557825.1901 -9.6883 -9.6305 PRESSURE: 2496600 -200.686 -96.0108 -41.3197 -96.011 -150.424 190.8 -41.3209 190.8 231.116 GPRESSURE: 2496600 -132.393 -99.1862 -46.4 -69.6788 -150.107 152.738 -35.6633 221.174 264.651 PRESSAVG: 2496600 1.97538 36.9661 -23.1566 36.9661 3.56338 -79.5874 -23.1566 -79.5874 8.04902 GPRESSAVG: 2496600 0.868917 37.479 -23.9013 36.9684 3.84478 -78.3609 -22.6836 -80.541 7.75262 TIMING: 2496600 CPU: 7438.62, 0.00298405/step Wall: 7438.62, 0.00298405/step, 2.07507 hours remaining, 206.574219 MB of memory in use. ENERGY: 2496600 729.8797 2083.2120 1958.9989 115.9730 -206097.7391 17812.1762 0.0000 0.0000 34067.5387 -149329.9606 297.5203 -183397.4993 -149232.7783 299.5782 -39.9981 -5.9497 558402.9445 4.5293 4.1554 PRESSURE: 2496800 124.15 75.0912 61.5262 75.0906 -8.72236 9.21198 61.5263 9.21196 15.3411 GPRESSURE: 2496800 114.746 60.0124 14.5808 22.0114 33.9416 -76.0699 75.1385 6.69333 72.7577 PRESSAVG: 2496800 -13.2753 20.9169 -12.844 20.9169 -5.18221 -6.44443 -12.844 -6.44439 22.6874 GPRESSAVG: 2496800 -12.0123 19.0493 -12.9377 21.7051 -6.77523 -5.96584 -14.0593 -6.0041 23.4269 TIMING: 2496800 CPU: 7439.22, 0.00300614/step Wall: 7439.22, 0.00300614/step, 2.09027 hours remaining, 206.574219 MB of memory in use. ENERGY: 2496800 774.1589 2092.7753 1961.9726 105.6755 -206521.4557 18055.6765 0.0000 0.0000 34274.9671 -149256.2299 299.3318 -183531.1970 -149163.2357 298.0298 43.5896 73.8152 557508.2623 1.4099 1.5464 PRESSURE: 2497000 35.2759 6.86289 -66.6722 6.86303 -240.644 -74.5522 -66.6726 -74.5525 -325.152 GPRESSURE: 2497000 94.0852 -66.8664 -67.3848 -0.489929 -230.346 -34.4743 -72.2981 -68.9992 -291.915 PRESSAVG: 2497000 18.8728 -65.7273 47.9934 -65.7272 -34.9978 0.40883 47.9933 0.40888 47.939 GPRESSAVG: 2497000 17.7538 -65.8558 49.418 -66.7825 -34.2752 1.62994 46.9955 1.29939 47.5118 TIMING: 2497000 CPU: 7439.83, 0.00302021/step Wall: 7439.83, 0.00302021/step, 2.09988 hours remaining, 206.574219 MB of memory in use. ENERGY: 2497000 778.9953 2101.5305 1923.9848 108.3986 -205874.4283 17520.4572 0.0000 0.0000 34123.1883 -149317.8735 298.0063 -183441.0619 -149216.4191 298.7364 -176.8401 -142.7255 558543.1443 10.6047 10.3301 PRESSURE: 2497200 -135.493 35.8574 138.344 35.8586 298.805 164.939 138.344 164.939 -316.598 GPRESSURE: 2497200 -72.2534 55.6173 101.143 85.5026 276.436 165.227 101.027 195.902 -259.748 PRESSAVG: 2497200 7.66714 -15.7771 -16.5825 -15.7771 49.2346 -5.86833 -16.5826 -5.86832 -28.5468 GPRESSAVG: 2497200 7.95422 -14.6802 -18.5569 -13.5322 49.2368 -8.22596 -15.5504 -5.87171 -29.1542 TIMING: 2497200 CPU: 7440.43, 0.00300449/step Wall: 7440.43, 0.00300449/step, 2.08879 hours remaining, 206.574219 MB of memory in use. ENERGY: 2497200 742.2637 2090.3630 1963.2337 110.4832 -205947.1353 17764.5379 0.0000 0.0000 34053.0469 -149223.2069 297.3937 -183276.2538 -149129.5904 298.9549 -51.0955 -18.5217 557972.0886 9.4516 9.3456 PRESSURE: 2497400 -84.7135 160.645 47.1995 160.646 32.6193 -242.742 47.1982 -242.742 38.3468 GPRESSURE: 2497400 -89.9417 145.673 22.6283 241.22 84.116 -266.825 113.964 -192.682 91.2338 PRESSAVG: 2497400 -17.2179 -18.3976 16.9551 -18.3975 2.2281 -14.8194 16.9551 -14.8194 43.4139 GPRESSAVG: 2497400 -17.0374 -17.1149 16.5295 -21.2137 1.23863 -12.9529 18.5629 -15.6344 44.7932 TIMING: 2497400 CPU: 7441.03, 0.00299106/step Wall: 7441.03, 0.00299106/step, 2.07929 hours remaining, 206.574219 MB of memory in use. ENERGY: 2497400 767.9712 2074.9109 1966.0058 109.8231 -206254.7650 17922.8818 0.0000 0.0000 34118.1271 -149295.0451 297.9621 -183413.1722 -149202.4331 298.5345 -4.5825 28.4693 557655.1331 9.4747 9.6648 PRESSURE: 2497600 -222.987 -122.94 115.077 -122.939 61.6051 155.849 115.079 155.848 -20.5298 GPRESSURE: 2497600 -177.636 -85.5379 57.7146 -226.262 76.7638 146.837 83.3963 93.5939 11.9146 PRESSAVG: 2497600 36.4979 16.4264 29.3957 16.4265 15.3274 -31.4175 29.3957 -31.4175 -64.0371 GPRESSAVG: 2497600 35.8834 16.8621 31.2336 16.113 16.5673 -33.8376 29.6894 -30.6921 -64.3332 TIMING: 2497600 CPU: 7441.62, 0.0029778/step Wall: 7441.62, 0.0029778/step, 2.0699 hours remaining, 206.574219 MB of memory in use. ENERGY: 2497600 719.2848 2036.8613 1957.5202 108.6155 -206443.4459 17883.0368 0.0000 0.0000 34241.4619 -149496.6653 299.0392 -183738.1272 -149408.7157 298.1760 -60.6373 -29.6527 558253.9322 -4.0706 -3.9608 PRESSURE: 2497800 -113.019 68.4164 97.6394 68.4159 -183.901 53.0343 97.6385 53.0348 122.329 GPRESSURE: 2497800 -83.3887 48.6566 134.518 152.031 -128.121 150.843 29.759 -0.00750964 141.211 PRESSAVG: 2497800 15.5537 -16.849 88.8819 -16.849 -87.0319 15.039 88.8819 15.0389 58.9012 GPRESSAVG: 2497800 15.3729 -18.4334 91.2617 -16.0754 -86.0592 13.8549 85.9861 13.8302 57.4919 TIMING: 2497800 CPU: 7442.22, 0.00299022/step Wall: 7442.22, 0.00299022/step, 2.07837 hours remaining, 206.574219 MB of memory in use. ENERGY: 2497800 743.5437 2042.7837 1966.7864 100.1092 -206233.3343 17835.8929 0.0000 0.0000 34173.6459 -149370.5726 298.4469 -183544.2185 -149273.3182 298.5560 -58.1969 -23.4327 558034.4365 -4.1924 -4.3981 PRESSURE: 2498000 20.2757 93.4136 4.62591 93.4142 -73.4367 133.187 4.62647 133.187 4.89215 GPRESSURE: 2498000 55.2185 35.7352 -49.6458 69.6522 -70.4068 182.135 -28.5415 120.464 70.7847 PRESSAVG: 2498000 41.0088 72.4505 40.6222 72.4506 10.8498 -6.22466 40.6223 -6.22465 -31.032 GPRESSAVG: 2498000 41.1881 72.3717 37.4819 72.2972 9.53822 -5.00504 41.0514 -4.94889 -29.7326 TIMING: 2498000 CPU: 7442.82, 0.00301814/step Wall: 7442.82, 0.00301814/step, 2.09761 hours remaining, 206.574219 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: 2498000 699.0007 2056.5824 1956.4197 121.5094 -206133.2374 17797.8438 0.0000 0.0000 34130.8448 -149371.0367 298.0732 -183501.8815 -149273.0948 298.1274 -16.0896 18.5321 556856.7162 6.9422 6.9979 PRESSURE: 2498200 -63.4066 13.4677 -33.0703 13.4668 23.7678 -86.2167 -33.0703 -86.2171 185.372 GPRESSURE: 2498200 -38.4536 16.17 44.2914 52.1627 114.829 -159.793 -58.1426 -76.0557 162.898 PRESSAVG: 2498200 8.40868 -37.3351 -23.3205 -37.3351 -80.8577 3.48436 -23.3204 3.48423 46.9478 GPRESSAVG: 2498200 8.80318 -37.9358 -22.2327 -35.4246 -79.9371 2.76712 -22.3845 2.09354 46.2378 TIMING: 2498200 CPU: 7443.43, 0.00302524/step Wall: 7443.43, 0.00302524/step, 2.10238 hours remaining, 206.574219 MB of memory in use. ENERGY: 2498200 731.9314 2067.8465 1944.3718 114.9224 -206453.3425 17924.4490 0.0000 0.0000 34396.9977 -149272.8236 300.3975 -183669.8214 -149171.2520 298.4813 48.5778 79.7578 557933.3745 -8.5004 -8.2987 PRESSURE: 2498400 -54.6411 -5.69279 -134.769 -5.69338 -176.075 -79.9318 -134.767 -79.9328 -220.921 GPRESSURE: 2498400 -7.34032 -51.6329 -142.833 19.9385 -103.8 -159.638 -154.475 71.2393 -242.56 PRESSAVG: 2498400 -28.1872 -49.5908 -13.8294 -49.5909 26.8869 -37.6949 -13.8294 -37.6948 16.9892 GPRESSAVG: 2498400 -28.9183 -47.6805 -13.0655 -50.2373 25.9826 -37.7361 -13.0981 -36.2326 18.2017 TIMING: 2498400 CPU: 7444.04, 0.00304216/step Wall: 7444.04, 0.00304216/step, 2.11397 hours remaining, 206.574219 MB of memory in use. ENERGY: 2498400 738.0704 2072.6811 1969.5663 107.2187 -206106.7439 17731.2516 0.0000 0.0000 34152.7822 -149335.1737 298.2647 -183487.9559 -149240.2355 298.4031 -150.5457 -117.8999 557894.7792 5.2296 5.0887 PRESSURE: 2498600 363.766 -180.656 236.447 -180.656 120.439 78.162 236.447 78.1633 46.979 GPRESSURE: 2498600 414.378 -92.9121 206.64 -217.339 54.6805 -0.0140655 205.68 131.996 159.62 PRESSAVG: 2498600 -16.7194 -20.4149 -38.0894 -20.4149 73.7125 -19.0658 -38.0893 -19.0658 -66.8268 GPRESSAVG: 2498600 -16.3689 -20.4227 -37.4476 -21.5703 73.5797 -17.5879 -40.3692 -20.3141 -66.9016 TIMING: 2498600 CPU: 7444.64, 0.00302917/step Wall: 7444.64, 0.00302917/step, 2.10477 hours remaining, 206.574219 MB of memory in use. ENERGY: 2498600 750.4459 2005.3526 1975.8658 116.3038 -206536.6812 18168.7771 0.0000 0.0000 34333.3454 -149186.5907 299.8416 -183519.9361 -149091.6637 298.8025 177.0611 209.5594 556268.4452 -3.2779 -3.2303 PRESSURE: 2498800 48.6071 -59.6229 89.8376 -59.6231 156.118 -1.82134 89.8383 -1.82046 0.20935 GPRESSURE: 2498800 74.5044 -63.3794 57.1433 -63.0121 171.42 -53.2373 100.802 43.9493 40.0083 PRESSAVG: 2498800 55.2307 -6.52314 -15.3897 -6.52311 20.9964 0.543262 -15.3897 0.543264 -85.2831 GPRESSAVG: 2498800 55.2289 -5.9087 -16.2761 -7.63128 20.8516 -1.78509 -13.8817 -0.262936 -85.5831 TIMING: 2498800 CPU: 7445.25, 0.00302602/step Wall: 7445.25, 0.00302602/step, 2.10241 hours remaining, 206.574219 MB of memory in use. ENERGY: 2498800 714.5802 2138.4261 1955.4118 118.7477 -206736.3485 18068.9950 0.0000 0.0000 34324.7000 -149415.4878 299.7661 -183740.1878 -149322.2125 299.0545 68.3116 95.3109 556323.2929 -3.0186 -3.1676 PRESSURE: 2499000 -321.703 1.20811 -10.6147 1.20812 125.58 -75.074 -10.6145 -75.0741 -51.7182 GPRESSURE: 2499000 -265.998 -2.31053 -103.738 -5.65379 94.0634 -75.5991 -8.85963 -110.278 24.4303 PRESSAVG: 2499000 13.302 -71.2943 7.05338 -71.2943 -34.6815 -20.8581 7.05337 -20.8582 -11.2086 GPRESSAVG: 2499000 12.8399 -71.6796 6.37443 -70.5566 -34.2272 -19.6028 7.1861 -21.1611 -11.6938 TIMING: 2499000 CPU: 7445.85, 0.00298931/step Wall: 7445.85, 0.00298931/step, 2.07674 hours remaining, 206.574219 MB of memory in use. ENERGY: 2499000 764.0518 2019.2277 1981.0860 127.8877 -206608.0450 17896.5927 0.0000 0.0000 34311.4737 -149507.7255 299.6506 -183819.1991 -149410.6347 298.8404 -82.6136 -49.1680 557048.1341 -10.8627 -11.0270 PRESSURE: 2499200 158.145 -57.2938 -43.0532 -57.2945 110.127 100.74 -43.0533 100.74 127.917 GPRESSURE: 2499200 114.741 -64.3236 66.5925 -168.97 160.923 44.7221 -141.777 135.777 225.303 PRESSAVG: 2499200 40.3088 52.086 20.7421 52.086 -20.5221 45.6565 20.7421 45.6565 -11.4826 GPRESSAVG: 2499200 41.0132 51.6036 21.8447 52.4782 -21.6418 44.8713 19.2933 47.1743 -10.7858 TIMING: 2499200 CPU: 7446.45, 0.00300734/step Wall: 7446.45, 0.00300734/step, 2.0891 hours remaining, 206.574219 MB of memory in use. ENERGY: 2499200 767.1208 2106.3150 1969.4477 117.7325 -206782.5745 18064.0286 0.0000 0.0000 34228.9857 -149528.9442 298.9302 -183757.9299 -149439.4944 299.0746 132.0630 166.9888 555334.9377 2.7680 2.8619 PRESSURE: 2499400 65.4695 174.002 -86.5421 174.003 159.643 80.3358 -86.5412 80.334 -20.6109 GPRESSURE: 2499400 71.0358 143.513 -52.3563 203.778 201.801 85.9919 -152.624 44.9991 13.5469 PRESSAVG: 2499400 9.74128 12.0867 -17.413 12.0867 61.3913 22.7499 -17.4129 22.7499 -70.6862 GPRESSAVG: 2499400 8.72613 12.7206 -18.3649 13.7235 61.8459 23.5176 -17.0405 20.7532 -70.5746 TIMING: 2499400 CPU: 7447.04, 0.00298311/step Wall: 7447.04, 0.00298311/step, 2.0721 hours remaining, 206.574219 MB of memory in use. ENERGY: 2499400 707.5448 2084.7344 1969.2913 110.6141 -206626.5535 17960.9513 0.0000 0.0000 34185.7325 -149607.6851 298.5525 -183793.4176 -149511.0215 298.4724 68.1672 95.4611 557513.8016 0.1488 -0.0009 PRESSURE: 2499600 -327.834 -136.414 -7.00024 -136.414 -234.259 40.9984 -7.00021 40.9985 44.6696 GPRESSURE: 2499600 -272.612 -25.87 20.3412 -135.278 -192.599 56.4624 -62.6897 90.5695 47.0736 PRESSAVG: 2499600 -30.862 24.1001 40.3856 24.1001 19.0814 17.4217 40.3857 17.4218 0.723459 GPRESSAVG: 2499600 -31.3918 23.7953 41.6888 23.8513 18.3572 18.5639 40.3457 18.3567 1.73032 TIMING: 2499600 CPU: 7447.64, 0.00299401/step Wall: 7447.64, 0.00299401/step, 2.0795 hours remaining, 206.574219 MB of memory in use. ENERGY: 2499600 740.9148 2074.3376 1939.7648 120.9543 -206152.8802 17647.9380 0.0000 0.0000 34048.8779 -149580.0928 297.3573 -183628.9707 -149485.2147 298.4733 -172.4743 -139.3790 557296.0325 -3.6857 -3.7681 PRESSURE: 2499800 -46.9488 366.473 -177.441 366.474 -86.2058 70.2046 -177.441 70.2037 -220.447 GPRESSURE: 2499800 -66.6854 343.003 -108.433 309.937 -8.39514 72.3556 -186.368 -34.886 -178.593 PRESSAVG: 2499800 -27.1243 40.4436 14.853 40.4436 3.64112 3.0346 14.853 3.03467 6.00252 GPRESSAVG: 2499800 -28.076 40.7468 14.3626 39.8819 6.03212 1.66458 13.5644 4.97607 4.40083 TIMING: 2499800 CPU: 7448.24, 0.00299413/step Wall: 7448.24, 0.00299413/step, 2.07942 hours remaining, 206.574219 MB of memory in use. ENERGY: 2499800 733.0391 2158.8622 1969.7478 105.3450 -205915.2506 17591.6257 0.0000 0.0000 33951.6020 -149405.0288 296.5078 -183356.6308 -149299.8718 298.3720 -117.8673 -84.5577 558400.2515 -5.8269 -5.8810 PRESSURE: 2500000 -44.8812 175.17 -5.87688 175.171 -3.63456 -23.2112 -5.87725 -23.2104 -189.195 GPRESSURE: 2500000 -76.2376 147.372 62.7045 161.094 30.9996 49.7191 -27.764 -84.1415 -87.0786 PRESSAVG: 2500000 2.84625 14.8966 -28.9892 14.8967 43.6615 28.5942 -28.9891 28.5941 -91.4232 GPRESSAVG: 2500000 3.73965 16.1719 -29.0576 14.4356 41.9595 31.0147 -26.5091 25.8637 -89.79 TIMING: 2500000 CPU: 7448.85, 0.00301748/step Wall: 7448.85, 0.00301748/step, 2.09547 hours remaining, 206.574219 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: 2500000 762.2536 2094.3676 1943.2964 112.6563 -206421.2854 17764.4086 0.0000 0.0000 34271.6971 -149472.6058 299.3033 -183744.3030 -149369.8277 297.9763 -79.2368 -44.1056 558038.3941 -14.9718 -14.6969 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING COORDINATES TO DCD FILE MD.1.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 146.66 -44.2956 -184.508 -44.2967 111.73 2.64075 -184.509 2.6394 -33.8368 GPRESSURE: 2500200 143.342 -39.284 -152.896 -70.398 135.648 -126.287 -195.091 -29.6884 39.0929 PRESSAVG: 2500200 -12.683 31.2428 -81.8103 31.2428 31.1266 17.6706 -81.8103 17.6705 0.392543 GPRESSAVG: 2500200 -12.3312 30.2185 -80.4907 32.6782 31.4174 16.5274 -83.8727 19.3001 -0.421441 TIMING: 2500200 CPU: 7449.52, 0.00336332/step Wall: 7449.52, 0.00336332/step, 2.33546 hours remaining, 206.574219 MB of memory in use. ENERGY: 2500200 722.7742 2087.1608 1932.3038 111.3632 -206556.2959 18109.2284 0.0000 0.0000 34101.2107 -149492.2549 297.8144 -183593.4656 -149393.1875 297.7581 74.8510 106.0274 557792.2214 6.2787 6.2216 LDB: ============= START OF LOAD BALANCING ============== 7452.95 LDB: ============== END OF LOAD BALANCING =============== 7452.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7452.95 LDB: ============= START OF LOAD BALANCING ============== 7453.25 LDB: Largest compute 4849 load 0.024592 is 20.8% of average load 0.118065 LDB: Average compute 0.001719 is 1.5% of average load 0.118065 LDB: TIME 7453.26 LOAD: AVG 0.118065 MAX 0.206087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 7453.26 LOAD: AVG 0.118065 MAX 0.206087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 7453.26 LOAD: AVG 0.118065 MAX 0.206087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: ============== END OF LOAD BALANCING =============== 7453.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7453.26 PRESSURE: 2500400 -190.142 -26.5662 -145.801 -26.5669 -240.08 72.9591 -145.801 72.9595 80.5516 GPRESSURE: 2500400 -160.754 -17.0664 -81.889 -49.9246 -186.713 75.0697 -163.146 50.186 86.8208 PRESSAVG: 2500400 -19.887 44.4309 -82.3311 44.4309 -24.8813 64.7522 -82.3312 64.7522 44.4779 GPRESSAVG: 2500400 -18.5974 44.0674 -84.0262 45.2353 -24.9736 65.3443 -80.1854 64.0895 43.313 TIMING: 2500400 CPU: 7450.13, 0.00307382/step Wall: 7450.13, 0.00307382/step, 2.13425 hours remaining, 205.429688 MB of memory in use. ENERGY: 2500400 735.4893 2162.5746 1931.6109 107.5648 -206301.7245 17633.0795 0.0000 0.0000 34209.7724 -149521.6330 298.7625 -183731.4054 -149426.1606 298.9901 -116.5569 -86.8820 556649.5732 -0.0968 -0.0860 PRESSURE: 2500600 86.1349 29.7071 163.369 29.706 -109.297 66.0661 163.367 66.0665 29.6443 GPRESSURE: 2500600 117.531 24.3843 137.185 -1.00896 -115.858 13.4064 188.007 27.0391 94.4869 PRESSAVG: 2500600 75.6055 27.8701 -21.6341 27.8702 -43.1075 -32.7923 -21.6341 -32.7923 -22.1516 GPRESSAVG: 2500600 74.3188 27.5131 -20.4931 26.8567 -43.171 -35.3441 -23.3781 -31.4861 -20.7062 TIMING: 2500600 CPU: 7450.73, 0.00300502/step Wall: 7450.73, 0.00300502/step, 2.08632 hours remaining, 205.429688 MB of memory in use. ENERGY: 2500600 738.1157 2038.2751 1956.6175 112.3914 -206273.3710 17866.9060 0.0000 0.0000 34091.5375 -149469.5278 297.7299 -183561.0653 -149377.0439 298.4104 2.1607 32.0531 557832.0358 3.4488 3.4806 PRESSURE: 2500800 -37.2063 104.822 -0.818377 104.822 96.8629 24.4917 -0.819582 24.4903 -59.4954 GPRESSURE: 2500800 20.4123 106.753 56.9031 34.0696 97.8618 54.7049 -62.9326 6.71071 -28.0939 PRESSAVG: 2500800 -18.6257 15.016 14.7059 15.016 -22.2348 47.1292 14.706 47.1293 25.4095 GPRESSAVG: 2500800 -18.3816 15.2837 13.2914 15.6704 -22.7935 49.35 15.4794 47.201 25.3751 TIMING: 2500800 CPU: 7451.34, 0.00302626/step Wall: 7451.34, 0.00302626/step, 2.1009 hours remaining, 205.429688 MB of memory in use. ENERGY: 2500800 746.1553 2095.7590 1950.2205 117.9974 -206157.8975 17723.9842 0.0000 0.0000 33951.9252 -149571.8558 296.5106 -183523.7811 -149479.0216 297.8295 0.0538 30.0600 556759.3316 -5.1503 -5.2667 PRESSURE: 2501000 122.631 71.5319 269.113 71.5323 116.596 -142.613 269.113 -142.614 208.38 GPRESSURE: 2501000 142.027 124.874 279.451 -22.5976 139.17 -70.8532 214.25 -113.86 268.793 PRESSAVG: 2501000 17.4658 21.3251 26.0727 21.3251 0.969628 19.9887 26.0728 19.9887 30.4657 GPRESSAVG: 2501000 16.4806 21.5136 28.2561 18.9945 1.9371 19.6315 24.7339 19.2929 30.1788 TIMING: 2501000 CPU: 7451.95, 0.00305173/step Wall: 7451.95, 0.00305173/step, 2.11841 hours remaining, 205.429688 MB of memory in use. ENERGY: 2501000 737.6231 2104.6220 1957.4786 118.5394 -206804.7244 18103.0390 0.0000 0.0000 34249.4251 -149533.9973 299.1087 -183783.4224 -149437.7927 298.4262 149.2025 183.3300 555593.4706 16.3004 16.1988 PRESSURE: 2501200 -64.458 -44.0302 -32.1876 -44.0285 -45.9764 -145.827 -32.1872 -145.826 87.3156 GPRESSURE: 2501200 -23.1524 -111.549 -92.3824 -6.01843 55.9907 -199.299 -68.6284 -70.2888 44.6467 PRESSAVG: 2501200 15.1276 18.1283 1.92372 18.1283 44.3456 10.0102 1.92376 10.0101 -14.1234 GPRESSAVG: 2501200 16.379 17.3724 3.48383 21.8569 43.0393 10.0776 1.38754 9.12704 -13.7216 TIMING: 2501200 CPU: 7452.55, 0.00300485/step Wall: 7452.55, 0.00300485/step, 2.0857 hours remaining, 205.429688 MB of memory in use. ENERGY: 2501200 745.6622 2156.6742 1974.5774 111.1010 -206470.5979 18010.0451 0.0000 0.0000 34024.0112 -149448.5267 297.1402 -183472.5379 -149359.1563 298.2836 -7.7063 25.8283 557372.3090 15.1166 15.2322 PRESSURE: 2501400 -129.958 91.1657 17.7015 91.1659 -99.8247 -40.2999 17.7016 -40.3004 156.575 GPRESSURE: 2501400 -163.182 160.796 19.4744 5.95313 -49.4685 16.0331 45.0942 -140.693 238.906 PRESSAVG: 2501400 20.4018 0.894314 22.921 0.894281 26.9887 13.8292 22.9211 13.8292 -17.1955 GPRESSAVG: 2501400 20.2121 1.04232 19.7116 -2.31487 27.965 12.575 24.5482 14.9057 -17.7843 TIMING: 2501400 CPU: 7453.16, 0.00304674/step Wall: 7453.16, 0.00304674/step, 2.11461 hours remaining, 205.429688 MB of memory in use. ENERGY: 2501400 743.8845 2159.5003 1944.7359 114.9682 -206358.9417 17731.6580 0.0000 0.0000 34164.2665 -149499.9282 298.3650 -183664.1947 -149403.2147 298.9146 -24.4025 8.7518 557458.5817 10.0650 10.1309 PRESSURE: 2501600 166.98 40.5302 -230.722 40.5306 53.2629 90.1151 -230.724 90.1151 43.3642 GPRESSURE: 2501600 202.445 59.2938 -228.841 8.73891 102.525 187.331 -216.872 -23.8567 51.8177 PRESSAVG: 2501600 -2.89379 -3.46009 -7.50761 -3.45996 -4.9394 31.9418 -7.50758 31.9418 14.3027 GPRESSAVG: 2501600 -2.57206 -2.73443 -8.54746 -3.82489 -4.71044 31.1905 -7.18014 33.6649 13.6461 TIMING: 2501600 CPU: 7453.76, 0.00299784/step Wall: 7453.76, 0.00299784/step, 2.0805 hours remaining, 205.429688 MB of memory in use. ENERGY: 2501600 741.4819 2089.2503 1961.9715 114.7590 -206402.9503 17976.5657 0.0000 0.0000 34159.2400 -149359.6819 298.3211 -183518.9220 -149266.3868 298.5237 87.8689 118.9293 557308.7000 2.1565 2.1212 PRESSURE: 2501800 -163.381 -11.8551 21.5932 -11.8561 -216.267 168.409 21.5936 168.407 -124.201 GPRESSURE: 2501800 -96.7567 37.7095 30.4519 -13.3514 -250.204 209.671 9.98014 122.808 -53.384 PRESSAVG: 2501800 -25.9879 54.3738 -34.4031 54.3736 8.04705 3.97711 -34.4031 3.97708 23.9337 GPRESSAVG: 2501800 -24.9609 53.7372 -32.1718 55.19 6.94513 5.64008 -36.0648 4.47216 24.0416 TIMING: 2501800 CPU: 7454.36, 0.00298703/step Wall: 7454.36, 0.00298703/step, 2.07283 hours remaining, 205.429688 MB of memory in use. ENERGY: 2501800 805.0942 2132.9922 1951.6616 107.8804 -206234.9079 17487.2941 0.0000 0.0000 34342.6585 -149407.3268 299.9230 -183749.9853 -149315.6882 299.3591 -167.9497 -133.4482 555612.2034 1.9976 2.0086 PRESSURE: 2502000 -207.636 -60.5067 216.601 -60.5072 69.7572 52.4024 216.599 52.4028 264.677 GPRESSURE: 2502000 -191.899 -122.77 137.043 -68.3743 88.9151 25.5736 237.16 -42.3558 314.008 PRESSAVG: 2502000 -27.0215 41.3659 27.7092 41.3657 -10.7835 38.1615 27.7092 38.1615 -22.6528 GPRESSAVG: 2502000 -28.1869 41.4362 24.915 41.931 -9.02169 36.7417 29.6886 38.2949 -23.2445 TIMING: 2502000 CPU: 7454.96, 0.00299713/step Wall: 7454.96, 0.00299713/step, 2.07968 hours remaining, 205.429688 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: 2502000 761.5374 2107.2274 1960.7958 126.6749 -206403.2424 17834.8369 0.0000 0.0000 34229.1446 -149383.0255 298.9316 -183612.1700 -149281.6689 298.7933 42.2661 70.3414 556118.5567 -20.1526 -20.1510 PRESSURE: 2502200 27.2054 -51.392 -31.7583 -51.3917 159.616 176.727 -31.7577 176.727 136.249 GPRESSURE: 2502200 103.387 -84.5507 60.091 -42.2169 185.117 133.105 -49.4988 195.99 137.764 PRESSAVG: 2502200 16.0584 -40.9711 24.3681 -40.9712 -37.0209 -12.7153 24.3681 -12.7154 8.10023 GPRESSAVG: 2502200 15.4244 -41.7322 28.3349 -40.1533 -36.9276 -12.7556 22.8001 -14.0431 8.58113 TIMING: 2502200 CPU: 7455.56, 0.00300738/step Wall: 7455.56, 0.00300738/step, 2.08662 hours remaining, 205.429688 MB of memory in use. ENERGY: 2502200 731.8137 2158.5525 1949.3463 111.8178 -206903.8337 18263.6938 0.0000 0.0000 34331.5509 -149357.0588 299.8260 -183688.6097 -149259.5965 298.7278 107.6902 142.0890 557126.5283 -4.2874 -4.3074 PRESSURE: 2502400 -22.0798 21.741 31.6302 21.7417 -277.018 -123.21 31.6318 -123.209 -35.9152 GPRESSURE: 2502400 -14.9372 41.9622 61.3921 -10.4359 -233.565 -92.8877 -77.227 -91.6444 9.74348 PRESSAVG: 2502400 -3.3962 -26.2333 -1.63505 -26.2333 49.5747 -26.07 -1.63494 -26.07 -80.363 GPRESSAVG: 2502400 -4.37083 -26.1711 -4.90014 -28.6236 49.4052 -23.8911 0.743326 -25.4322 -78.522 TIMING: 2502400 CPU: 7456.15, 0.0029761/step Wall: 7456.15, 0.0029761/step, 2.06475 hours remaining, 205.429688 MB of memory in use. ENERGY: 2502400 781.2874 2099.8405 1933.5887 105.5169 -206384.7841 17680.4519 0.0000 0.0000 34461.3043 -149322.7943 300.9591 -183784.0986 -149226.7194 299.0000 -111.6708 -79.5864 556322.2145 -11.3948 -11.1625 PRESSURE: 2502600 -216.754 -57.3412 -22.9767 -57.3404 238.233 -48.4677 -22.9767 -48.4689 -1.53175 GPRESSURE: 2502600 -208.733 -31.463 -3.76764 -46.9117 250.128 -46.782 50.5536 -134.959 74.8969 PRESSAVG: 2502600 -11.0677 18.6721 40.1953 18.672 -40.0555 -48.4852 40.1953 -48.4852 0.282154 GPRESSAVG: 2502600 -9.1049 18.1637 41.9062 20.1382 -41.5043 -49.5545 39.3801 -48.0977 -0.0436015 TIMING: 2502600 CPU: 7456.76, 0.00302037/step Wall: 7456.76, 0.00302037/step, 2.0953 hours remaining, 205.429688 MB of memory in use. ENERGY: 2502600 751.6442 2106.4415 1981.2575 136.6222 -206658.8586 17953.3295 0.0000 0.0000 34399.3916 -149330.1721 300.4184 -183729.5638 -149234.8544 298.8475 6.6492 38.7639 556812.0848 -16.9470 -16.8843 PRESSURE: 2502800 180.461 81.5748 10.1406 81.5744 -192.763 -52.1142 10.1403 -52.1141 42.9089 GPRESSURE: 2502800 152.715 86.4973 80.2761 103.042 -99.0426 -70.0242 -26.1631 -66.9689 73.0273 PRESSAVG: 2502800 -7.36297 56.9205 42.2031 56.9206 -31.7509 7.8091 42.2032 7.80897 70.6907 GPRESSAVG: 2502800 -8.32869 58.0597 42.6904 56.6563 -31.281 8.38527 41.1306 6.43983 71.075 TIMING: 2502800 CPU: 7457.36, 0.00302246/step Wall: 7457.36, 0.00302246/step, 2.09658 hours remaining, 205.429688 MB of memory in use. ENERGY: 2502800 780.5613 2136.0785 1959.1638 108.5495 -206506.5815 17911.3506 0.0000 0.0000 34366.3777 -149244.5001 300.1301 -183610.8779 -149140.6290 298.7150 10.2021 42.2332 558227.9745 10.5256 10.4884 PRESSURE: 2503000 89.8639 -60.8269 18.7024 -60.8258 25.3221 13.8317 18.7016 13.8316 156.074 GPRESSURE: 2503000 165.946 -40.0048 78.9055 -13.7039 35.7835 29.6183 60.7081 5.30988 160.352 PRESSAVG: 2503000 25.489 -24.2178 27.1573 -24.2178 -30.8713 -31.887 27.1574 -31.8871 32.4137 GPRESSAVG: 2503000 25.5652 -24.0458 26.0839 -25.9334 -31.5428 -33.9828 27.7554 -28.8849 32.7735 TIMING: 2503000 CPU: 7457.96, 0.00301521/step Wall: 7457.96, 0.00301521/step, 2.09139 hours remaining, 205.429688 MB of memory in use. ENERGY: 2503000 776.7056 2103.2711 1950.8322 115.9225 -206317.3011 17956.0601 0.0000 0.0000 34177.6073 -149236.9023 298.4815 -183414.5096 -149135.9451 299.2118 90.4201 120.6939 556911.8227 9.0105 8.9320 PRESSURE: 2503200 3.25435 57.9649 15.087 57.9661 102.963 -151.599 15.0878 -151.599 17.0813 GPRESSURE: 2503200 5.56099 119.562 -40.1849 2.13626 172.718 -112.599 -14.6506 -180.382 38.2137 PRESSAVG: 2503200 0.0228028 25.1495 44.6408 25.1495 0.207603 -48.3809 44.6407 -48.3807 26.7761 GPRESSAVG: 2503200 0.139696 25.309 44.2281 25.9638 0.253907 -47.162 44.9348 -49.856 26.5113 TIMING: 2503200 CPU: 7458.57, 0.0030076/step Wall: 7458.57, 0.0030076/step, 2.08594 hours remaining, 205.429688 MB of memory in use. ENERGY: 2503200 743.0147 2091.4577 1943.6468 113.5887 -206385.4901 17866.8863 0.0000 0.0000 34305.8253 -149321.0706 299.6013 -183626.8959 -149222.2320 298.8840 41.0994 72.1642 556772.8500 9.0022 8.9683 PRESSURE: 2503400 -108.4 -108.007 -3.62389 -108.007 56.5039 -203.757 -3.62367 -203.758 -1.88429 GPRESSURE: 2503400 -60.8993 -119.477 58.0626 -135.922 84.0544 -328.705 -15.6536 -123.697 16.7102 PRESSAVG: 2503400 -62.7447 54.0473 -56.6388 54.0474 -35.0438 -42.7561 -56.6389 -42.7562 48.441 GPRESSAVG: 2503400 -62.9958 54.2197 -57.4517 54.5797 -35.1371 -42.4974 -55.2668 -42.3272 48.8086 TIMING: 2503400 CPU: 7459.17, 0.00300815/step Wall: 7459.17, 0.00300815/step, 2.08615 hours remaining, 205.429688 MB of memory in use. ENERGY: 2503400 744.7236 2071.9993 1966.2898 114.4071 -206262.0506 17722.8799 0.0000 0.0000 34469.4232 -149172.3278 301.0300 -183641.7509 -149080.3780 299.2751 -17.9267 13.2884 555531.0334 -16.4492 -16.4414 PRESSURE: 2503600 193.37 -27.9461 -36.3201 -27.946 236.45 -4.21883 -36.3194 -4.21881 422.762 GPRESSURE: 2503600 307.965 -30.1139 -8.94267 -125.859 226.097 76.5736 -99.7115 -136.251 400.394 PRESSAVG: 2503600 20.1368 6.53028 -27.9144 6.53037 -85.328 5.30542 -27.9144 5.30545 84.7463 GPRESSAVG: 2503600 21.2364 5.9262 -26.7981 3.96396 -86.1303 7.36705 -31.3651 2.41222 84.0248 TIMING: 2503600 CPU: 7459.77, 0.00300026/step Wall: 7459.77, 0.00300026/step, 2.08052 hours remaining, 205.429688 MB of memory in use. ENERGY: 2503600 758.0903 2086.4172 1931.7682 135.0892 -206781.6682 18331.7581 0.0000 0.0000 34241.1457 -149297.3994 299.0364 -183538.5450 -149203.3273 299.7806 284.1938 311.4850 554525.8201 6.5184 6.3770 PRESSURE: 2503800 -297.726 -103.486 -156.043 -103.485 -162.741 -5.8188 -156.044 -5.81755 -273.205 GPRESSURE: 2503800 -247.704 -69.3602 -177.995 -146.779 -146.215 60.8445 -96.4026 -23.6173 -246.058 PRESSAVG: 2503800 8.12521 -18.9319 -43.7263 -18.9319 -35.148 5.92721 -43.7264 5.92734 24.1739 GPRESSAVG: 2503800 7.14121 -17.5096 -45.272 -19.2063 -33.7483 3.78834 -41.0755 9.15228 23.809 TIMING: 2503800 CPU: 7460.37, 0.00299256/step Wall: 7460.37, 0.00299256/step, 2.07501 hours remaining, 205.429688 MB of memory in use. ENERGY: 2503800 716.0349 2116.6231 1961.0032 104.6728 -205612.0395 17315.0117 0.0000 0.0000 34191.3403 -149207.3536 298.6015 -183398.6939 -149117.8214 299.9572 -244.5574 -213.3255 556322.2831 -0.9496 -0.9327 PRESSURE: 2504000 18.0042 -135.255 -74.5469 -135.254 22.7953 -24 -74.5479 -24.0016 96.9561 GPRESSURE: 2504000 71.3179 -123.739 -61.0419 -106.618 3.88276 51.7896 -30.4745 -114.397 154.658 PRESSAVG: 2504000 -6.42655 -33.723 18.502 -33.723 36.7371 1.01702 18.5019 1.01704 3.85626 GPRESSAVG: 2504000 -6.72648 -33.7544 17.2242 -33.0621 36.3755 1.4798 18.0186 1.78779 4.09379 TIMING: 2504000 CPU: 7460.96, 0.00298285/step Wall: 7460.96, 0.00298285/step, 2.06811 hours remaining, 205.429688 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: 2504000 722.4622 2038.4394 1968.6629 118.7972 -205936.9362 17686.5477 0.0000 0.0000 34287.9770 -149114.0497 299.4454 -183402.0267 -149015.5669 299.7060 45.9185 76.6197 557492.1846 11.3889 11.2476 PRESSURE: 2504200 -159.879 91.5698 -211.855 91.5706 -385.983 14.1492 -211.855 14.1498 -316.233 GPRESSURE: 2504200 -122.664 73.1815 -204.126 101.056 -318.425 68.5538 -286.774 -8.1664 -310.514 PRESSAVG: 2504200 0.806302 22.5012 -3.87985 22.5013 -6.30793 12.2051 -3.87986 12.205 20.6951 GPRESSAVG: 2504200 0.653148 22.0395 -2.36683 22.7505 -6.68182 12.4696 -3.59195 11.2092 21.0271 TIMING: 2504200 CPU: 7461.56, 0.00299356/step Wall: 7461.56, 0.00299356/step, 2.07537 hours remaining, 205.429688 MB of memory in use. ENERGY: 2504200 757.3786 2010.8150 1969.9923 108.4685 -205822.2278 17418.9304 0.0000 0.0000 34194.5636 -149362.0794 298.6296 -183556.6429 -149270.7664 299.4951 -287.3650 -250.5342 557852.8896 5.0645 4.9995 LDB: ============= START OF LOAD BALANCING ============== 7464.99 LDB: ============== END OF LOAD BALANCING =============== 7464.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7464.99 LDB: ============= START OF LOAD BALANCING ============== 7465.29 LDB: Largest compute 4849 load 0.025649 is 21.7% of average load 0.118023 LDB: Average compute 0.001717 is 1.5% of average load 0.118023 LDB: TIME 7465.3 LOAD: AVG 0.118023 MAX 0.203336 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 7465.3 LOAD: AVG 0.118023 MAX 0.203336 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.914 MB LDB: TIME 7465.3 LOAD: AVG 0.118023 MAX 0.203336 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.914 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7465.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7465.3 PRESSURE: 2504400 -91.8003 36.4213 -66.9568 36.4207 -185.654 1.8963 -66.9567 1.89631 -32.8247 GPRESSURE: 2504400 -66.5728 -71.4686 -119.776 61.5288 -153.967 99.1521 6.01926 -55.5761 12.4867 PRESSAVG: 2504400 45.7307 2.48264 -41.0681 2.48266 -10.1968 37.4039 -41.068 37.4039 -57.1695 GPRESSAVG: 2504400 46.723 0.19836 -39.7974 6.80018 -10.1886 37.1123 -41.8621 37.5174 -58.04 TIMING: 2504400 CPU: 7462.17, 0.00305399/step Wall: 7462.17, 0.00305399/step, 2.1171 hours remaining, 206.515625 MB of memory in use. ENERGY: 2504400 760.6747 2067.8415 1954.1504 121.7285 -206224.6325 17774.0310 0.0000 0.0000 34099.3894 -149446.8170 297.7984 -183546.2064 -149356.9606 299.1621 -103.4262 -69.3511 555900.8616 -7.2119 -7.1685 PRESSURE: 2504600 87.774 -9.0589 -71.4412 -9.05789 0.0122036 162.652 -71.4407 162.653 134.273 GPRESSURE: 2504600 71.2184 -26.7913 -38.5947 6.02027 56.0539 130.935 -114.171 142.619 201.555 PRESSAVG: 2504600 -22.8325 71.9821 -10.0385 71.982 29.4122 -8.06007 -10.0385 -8.06016 7.054 GPRESSAVG: 2504600 -23.2983 72.816 -8.90137 69.5476 28.263 -7.96114 -10.5519 -9.3423 8.79787 TIMING: 2504600 CPU: 7462.77, 0.00300949/step Wall: 7462.77, 0.00300949/step, 2.08608 hours remaining, 206.718750 MB of memory in use. ENERGY: 2504600 738.7444 2047.0581 1967.0152 94.6902 -206045.5962 17841.5904 0.0000 0.0000 34111.5788 -149244.9191 297.9049 -183356.4980 -149147.6389 298.6469 74.0196 109.6090 555286.0656 4.5445 4.5875 PRESSURE: 2504800 85.6955 -29.1586 105.215 -29.159 -8.08192 15.3084 105.216 15.3089 199.906 GPRESSURE: 2504800 126.483 -42.3415 86.348 -61.6441 9.15039 -70.0285 39.8304 -7.95855 240.873 PRESSAVG: 2504800 -23.2858 -19.1788 5.94819 -19.1788 -15.3669 -1.19208 5.94827 -1.19208 6.83676 GPRESSAVG: 2504800 -24.3826 -19.3119 3.81454 -21.0035 -14.8093 -0.461558 5.05674 0.852741 6.97455 TIMING: 2504800 CPU: 7463.38, 0.00304478/step Wall: 7463.38, 0.00304478/step, 2.11037 hours remaining, 206.718750 MB of memory in use. ENERGY: 2504800 738.0710 2089.2157 1952.6154 116.2910 -206494.5055 18021.0788 0.0000 0.0000 34456.4443 -149120.7896 300.9167 -183577.2338 -149028.7469 299.0131 92.5066 125.5020 556809.1450 -10.6053 -10.7391 PRESSURE: 2505000 -113.794 18.819 56.2373 18.82 -160.526 21.5231 56.2384 21.5227 -285.626 GPRESSURE: 2505000 -60.4222 -12.9528 22.1316 46.6834 -122.142 75.267 165.508 33.7822 -292.86 PRESSAVG: 2505000 -5.64208 29.4468 5.10533 29.4468 -3.04107 41.4648 5.10528 41.4649 20.2427 GPRESSAVG: 2505000 -4.90029 28.5371 5.77973 28.868 -3.27042 43.2928 7.41599 41.101 19.4822 TIMING: 2505000 CPU: 7463.99, 0.00301856/step Wall: 7463.99, 0.00301856/step, 2.09203 hours remaining, 206.718750 MB of memory in use. ENERGY: 2505000 749.0587 2065.4319 1955.4698 120.0947 -205578.2005 17296.8465 0.0000 0.0000 34368.9606 -149022.3382 300.1527 -183391.2988 -148929.1435 299.3448 -186.6489 -158.4748 558331.7159 3.8532 3.7705 PRESSURE: 2505200 9.85199 55.9073 79.2587 55.9067 -80.2653 70.7257 79.2591 70.7256 126.176 GPRESSURE: 2505200 81.4525 38.3934 -19.2048 -48.162 -21.4845 70.5514 91.0506 128.796 98.2845 PRESSAVG: 2505200 2.76994 53.6257 11.0141 53.6256 46.8752 51.2228 11.0141 51.2227 -65.1328 GPRESSAVG: 2505200 3.21429 56.4034 11.1091 54.9065 47.0805 50.6837 8.18891 49.7445 -65.2789 TIMING: 2505200 CPU: 7464.59, 0.00299541/step Wall: 7464.59, 0.00299541/step, 2.07582 hours remaining, 206.718750 MB of memory in use. ENERGY: 2505200 728.8261 2076.0284 1932.5410 115.2741 -205896.3929 17722.3324 0.0000 0.0000 34288.6724 -149032.7184 299.4515 -183321.3909 -148943.0094 300.2681 18.5877 52.7508 556559.7521 -5.1625 -4.9947 PRESSURE: 2505400 -265.255 4.71559 36.1363 4.71579 -233.002 -12.8515 36.1368 -12.8516 -89.3127 GPRESSURE: 2505400 -217.687 -71.2305 91.8504 112.54 -202.999 -59.1388 93.2402 1.85293 -76.3179 PRESSAVG: 2505400 32.7358 27.1084 64.0015 27.1085 31.9907 38.5413 64.0014 38.5412 -49.2878 GPRESSAVG: 2505400 31.355 25.7499 62.2046 28.5205 33.5284 36.5935 64.9215 41.1487 -49.5278 TIMING: 2505400 CPU: 7465.19, 0.00301971/step Wall: 7465.19, 0.00301971/step, 2.09249 hours remaining, 206.718750 MB of memory in use. ENERGY: 2505400 756.4858 2097.1909 1951.0002 108.3040 -205796.0605 17447.4505 0.0000 0.0000 34241.2858 -149194.3434 299.0377 -183435.6292 -149097.9227 299.4157 -195.8567 -165.6681 556413.5629 5.1462 5.1185 PRESSURE: 2505600 -56.3692 362.823 -177.113 362.824 72.7483 130.06 -177.113 130.061 -34.9409 GPRESSURE: 2505600 20.9306 416.034 -63.3566 296.91 94.8073 104.075 -176.078 52.4939 -28.9401 PRESSAVG: 2505600 -40.4829 34.3128 25.5524 34.3128 19.2313 57.3038 25.5524 57.3038 8.84293 GPRESSAVG: 2505600 -40.4651 33.7668 26.0428 32.3256 20.1086 57.7009 27.7838 56.8387 7.80317 TIMING: 2505600 CPU: 7465.8, 0.00303413/step Wall: 7465.8, 0.00303413/step, 2.10231 hours remaining, 206.718750 MB of memory in use. ENERGY: 2505600 765.3138 2068.0020 1928.9830 116.9082 -206393.9566 17901.5445 0.0000 0.0000 34270.3875 -149342.8175 299.2918 -183613.2051 -149247.3824 299.1450 -6.1872 28.9326 557528.4368 -4.1362 -4.1844 PRESSURE: 2505800 59.8065 -105.774 176.605 -105.774 102.566 140.024 176.604 140.023 -136.124 GPRESSURE: 2505800 111.249 -101.93 180.85 -63.3075 114.903 132.927 180.584 135.5 -104.132 PRESSAVG: 2505800 -57.412 63.0759 26.4246 63.0759 95.0179 25.4028 26.4246 25.4028 -69.942 GPRESSAVG: 2505800 -57.2627 61.0714 27.1508 65.6406 92.8441 28.0372 24.7834 21.9076 -67.4516 TIMING: 2505800 CPU: 7466.4, 0.00302504/step Wall: 7466.4, 0.00302504/step, 2.09585 hours remaining, 206.718750 MB of memory in use. ENERGY: 2505800 744.1524 2144.5162 1949.1510 118.6959 -206002.2954 17883.3337 0.0000 0.0000 34085.3285 -149077.1177 297.6757 -183162.4462 -148985.9148 299.6508 8.7496 40.6732 558458.5613 -10.7787 -10.6234 PRESSURE: 2506000 82.5233 -171.514 -45.2497 -171.516 224.411 181.232 -45.2481 181.233 83.8802 GPRESSURE: 2506000 125.446 -154.511 -73.3023 -174.825 226.984 195.726 -25.2328 231.443 127.821 PRESSAVG: 2506000 17.7312 26.1025 12.1775 26.1025 9.34161 45.3313 12.1776 45.3313 46.4914 GPRESSAVG: 2506000 18.6608 29.6529 14.5945 23.119 9.8419 43.7183 10.7626 48.4084 45.2635 TIMING: 2506000 CPU: 7467, 0.00299697/step Wall: 7467, 0.00299697/step, 2.07623 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: 2506000 755.3543 2100.8105 1961.9535 115.1518 -206254.6862 17971.6078 0.0000 0.0000 34370.1267 -148979.6816 300.1629 -183349.8083 -148884.0146 299.3774 130.2714 160.0838 557102.1627 24.5214 24.5888 PRESSURE: 2506200 -111.551 143.154 37.9263 143.154 34.1805 -122.473 37.9269 -122.475 129.47 GPRESSURE: 2506200 -80.1002 212.776 33.9956 138.565 86.5703 -14.0643 72.3396 -160.915 151.492 PRESSAVG: 2506200 -1.0294 -8.7336 -23.4607 -8.73355 -30.2284 45.1502 -23.4608 45.1502 3.21673 GPRESSAVG: 2506200 -1.86603 -7.95152 -25.5537 -7.22798 -29.9669 43.5384 -23.2757 43.7446 3.61354 TIMING: 2506200 CPU: 7467.6, 0.00298693/step Wall: 7467.6, 0.00298693/step, 2.06911 hours remaining, 206.718750 MB of memory in use. ENERGY: 2506200 758.4963 2080.7229 2007.2998 127.7721 -206159.8144 17812.3799 0.0000 0.0000 34393.1992 -148979.9443 300.3644 -183373.1434 -148878.8041 300.3806 17.3662 52.6541 557319.1915 -9.3470 -9.4065 PRESSURE: 2506400 156.35 -101.407 85.2727 -101.408 34.1385 133.291 85.2729 133.291 -4.29719 GPRESSURE: 2506400 205.241 -142.253 80.0941 -70.4442 36.4897 165.755 58.9414 138.857 35.3214 PRESSAVG: 2506400 42.1811 42.7318 4.48446 42.7318 -56.5453 -10.4517 4.48447 -10.4517 -3.37413 GPRESSAVG: 2506400 41.8921 43.111 3.99021 40.3185 -55.8422 -11.4418 4.47322 -7.90693 -4.06339 TIMING: 2506400 CPU: 7468.2, 0.00301474/step Wall: 7468.2, 0.00301474/step, 2.08821 hours remaining, 206.718750 MB of memory in use. ENERGY: 2506400 720.7835 2154.9360 1937.4285 111.3078 -206162.6396 17976.1465 0.0000 0.0000 34273.4129 -148988.6245 299.3182 -183262.0373 -148894.4239 300.3040 62.0638 92.3506 558723.2150 -5.9128 -6.0045 PRESSURE: 2506600 33.102 42.9322 -77.3583 42.933 100.38 -126.982 -77.358 -126.982 45.0032 GPRESSURE: 2506600 25.1332 62.578 -130.206 41.5804 70.6948 -150.878 -38.6559 -181.242 172.572 PRESSAVG: 2506600 -27.0701 -1.61882 30.2988 -1.61876 16.8022 29.4924 30.2988 29.4924 -7.72991 GPRESSAVG: 2506600 -26.83 -1.04783 31.3244 -1.4996 15.9486 30.7668 30.6265 27.1374 -7.32536 TIMING: 2506600 CPU: 7468.8, 0.00299368/step Wall: 7468.8, 0.00299368/step, 2.07346 hours remaining, 206.718750 MB of memory in use. ENERGY: 2506600 732.7729 2121.5648 1969.3166 116.7969 -205957.0010 17776.4763 0.0000 0.0000 34153.6801 -149086.3935 298.2726 -183240.0736 -148987.4175 299.1733 59.4952 89.4667 558391.2798 -5.9993 -6.0689 PRESSURE: 2506800 -230.561 30.8035 161.761 30.8032 21.0208 -24.4993 161.762 -24.4993 -329.286 GPRESSURE: 2506800 -198.953 87.9457 146.558 52.2205 43.9537 88.1438 151.574 -38.8253 -290.174 PRESSAVG: 2506800 -12.4037 -15.5836 60.9262 -15.5836 22.161 26.0898 60.9261 26.0899 -5.64241 GPRESSAVG: 2506800 -12.3789 -15.7328 61.1946 -17.3181 22.9412 25.6134 62.3837 25.2779 -6.69669 TIMING: 2506800 CPU: 7469.4, 0.00301053/step Wall: 7469.4, 0.00301053/step, 2.08496 hours remaining, 206.718750 MB of memory in use. ENERGY: 2506800 746.6571 2126.4288 1942.2917 119.9687 -206082.4434 17656.4177 0.0000 0.0000 34324.5454 -149166.1341 299.7648 -183490.6795 -149072.0245 299.2831 -179.6087 -148.3910 559084.5027 1.3716 1.2885 PRESSURE: 2507000 -36.1524 3.05842 40.761 3.05916 -130.743 -81.0593 40.7614 -81.0584 71.8112 GPRESSURE: 2507000 45.9644 -6.95869 53.1624 -11.7 -183.857 -107.833 95.0484 -67.0142 150.308 PRESSAVG: 2507000 12.964 4.70151 80.2804 4.70139 -27.7598 -39.7709 80.2804 -39.7708 -12.6223 GPRESSAVG: 2507000 12.5822 4.2105 80.1492 5.58263 -27.6596 -37.1009 79.242 -40.147 -11.354 TIMING: 2507000 CPU: 7470, 0.00299378/step Wall: 7470, 0.00299378/step, 2.07319 hours remaining, 206.718750 MB of memory in use. ENERGY: 2507000 746.5927 2081.2850 1954.4172 109.8367 -206013.6261 17845.8593 0.0000 0.0000 33967.4658 -149308.1695 296.6463 -183275.6352 -149208.9144 299.0893 -31.6946 4.1384 557928.7385 -9.1394 -8.8105 PRESSURE: 2507200 38.3605 -34.0964 42.9395 -34.0969 -2.50135 -26.1032 42.9387 -26.1033 -271.177 GPRESSURE: 2507200 36.4194 -48.1594 35.6524 2.09255 91.8164 26.1951 -3.76782 -64.6528 -272.39 PRESSAVG: 2507200 11.6664 -11.3058 14.1015 -11.3058 42.0048 -48.8291 14.1016 -48.8291 -20.5675 GPRESSAVG: 2507200 12.8875 -11.4842 13.9737 -11.4385 41.9104 -51.9593 14.479 -48.1107 -21.4804 TIMING: 2507200 CPU: 7470.6, 0.00298737/step Wall: 7470.6, 0.00298737/step, 2.06859 hours remaining, 206.718750 MB of memory in use. ENERGY: 2507200 774.7596 2048.7570 1953.4604 111.4614 -206326.5485 17842.0143 0.0000 0.0000 34299.2714 -149296.8244 299.5441 -183596.0958 -149203.0706 299.5908 -78.4393 -48.0515 556375.4066 11.0346 11.1059 PRESSURE: 2507400 -115.052 22.249 107.531 22.2494 -197.726 -58.9817 107.532 -58.9822 105.133 GPRESSURE: 2507400 -164.663 25.7003 116.693 -62.8381 -115.489 -35.3777 64.1672 -73.1831 167.71 PRESSAVG: 2507400 -18.1044 -33.373 73.4432 -33.373 41.9757 -5.62555 73.4431 -5.62554 -23.8679 GPRESSAVG: 2507400 -18.8363 -36.7055 73.5833 -30.7235 41.9047 -1.67704 71.9223 -7.30217 -22.9391 TIMING: 2507400 CPU: 7471.19, 0.00297076/step Wall: 7471.19, 0.00297076/step, 2.05692 hours remaining, 206.718750 MB of memory in use. ENERGY: 2507400 730.9755 2116.2036 1953.4247 113.2205 -206343.4566 17932.0517 0.0000 0.0000 34338.6389 -149158.9417 299.8879 -183497.5806 -149066.5733 300.0539 -69.2151 -37.4807 558116.9825 0.0012 0.0431 PRESSURE: 2507600 82.0831 63.8784 -26.1323 63.8786 -138.986 -283.565 -26.1315 -283.565 -32.523 GPRESSURE: 2507600 80.0905 188.304 -60.0196 0.238811 -33.8788 -338.791 0.868358 -223.95 -36.9399 PRESSAVG: 2507600 11.0152 -23.9945 19.7958 -23.9946 23.0262 1.40645 19.7957 1.40665 23.9917 GPRESSAVG: 2507600 10.0809 -22.9584 20.3421 -24.9654 23.4608 -0.477608 19.7515 2.83694 24.8966 TIMING: 2507600 CPU: 7471.79, 0.00298362/step Wall: 7471.79, 0.00298362/step, 2.06566 hours remaining, 206.718750 MB of memory in use. ENERGY: 2507600 723.4725 2073.4012 1956.8973 115.3427 -206179.2107 17751.0812 0.0000 0.0000 34374.0007 -149185.0149 300.1967 -183559.0156 -149087.2957 299.7318 -29.8086 3.0906 556610.2002 19.3444 19.4794 PRESSURE: 2507800 -138.303 -80.5049 12.3095 -80.5054 -0.683572 -39.2253 12.3091 -39.2258 45.4205 GPRESSURE: 2507800 -143.692 -126.382 -19.9415 -86.5803 57.3218 52.2025 -27.3242 -24.6432 95.2 PRESSAVG: 2507800 -33.0891 -17.7416 -40.4675 -17.7416 -4.77387 4.48786 -40.4676 4.48796 45.717 GPRESSAVG: 2507800 -33.1624 -16.3487 -40.9027 -18.5952 -4.1416 2.82231 -40.6326 5.56583 45.0801 TIMING: 2507800 CPU: 7472.39, 0.00298719/step Wall: 7472.39, 0.00298719/step, 2.06797 hours remaining, 206.718750 MB of memory in use. ENERGY: 2507800 774.8997 2144.8251 1924.2450 121.6533 -206077.6453 17831.7383 0.0000 0.0000 34122.3549 -149157.9289 297.9990 -183280.2839 -149063.7551 299.2495 -31.1886 2.9433 556916.9026 2.6180 2.5920 PRESSURE: 2508000 -173.271 -211.794 -126.367 -211.794 91.3659 -32.4413 -126.368 -32.4401 -29.6433 GPRESSURE: 2508000 -182.756 -115.433 -89.1722 -222.101 108.097 -78.7277 -86.9158 -57.7892 54.6989 PRESSAVG: 2508000 -52.2294 42.5957 -12.9718 42.5957 30.923 -32.6879 -12.9718 -32.688 47.0162 GPRESSAVG: 2508000 -51.6295 41.6426 -12.6007 43.0284 30.5607 -31.4859 -13.2831 -33.1879 46.6289 TIMING: 2508000 CPU: 7472.98, 0.00298214/step Wall: 7472.98, 0.00298214/step, 2.0643 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: 2508000 756.8590 2026.8541 1975.7590 119.7128 -206563.7722 17903.0401 0.0000 0.0000 34533.3935 -149248.1536 301.5887 -183781.5471 -149155.0310 299.8804 -37.1827 -6.6533 557020.6320 8.5699 8.5200 PRESSURE: 2508200 -280.354 -10.712 -16.3122 -10.7112 -109.239 -51.4351 -16.3122 -51.4341 -404.631 GPRESSURE: 2508200 -235.306 -68.7836 -22.1252 39.6993 -92.16 -55.8884 68.7835 -22.1071 -374.818 PRESSAVG: 2508200 13.0255 -53.8343 -57.6473 -53.8344 -18.1222 -57.5545 -57.6473 -57.5546 -10.9839 GPRESSAVG: 2508200 12.8912 -54.9229 -59.0451 -51.6403 -17.8316 -55.8109 -54.6053 -58.6813 -10.8426 TIMING: 2508200 CPU: 7473.58, 0.00298132/step Wall: 7473.58, 0.00298132/step, 2.06357 hours remaining, 206.718750 MB of memory in use. ENERGY: 2508200 734.5369 2061.2374 1953.2734 98.1390 -205837.0481 17506.0429 0.0000 0.0000 34240.6748 -149243.1437 299.0323 -183483.8185 -149151.8242 299.2317 -264.7414 -234.0946 559716.5289 -5.3602 -5.2610 LDB: ============= START OF LOAD BALANCING ============== 7477.01 LDB: ============== END OF LOAD BALANCING =============== 7477.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7477.01 LDB: ============= START OF LOAD BALANCING ============== 7477.31 LDB: Largest compute 4849 load 0.024355 is 20.6% of average load 0.118056 LDB: Average compute 0.001716 is 1.5% of average load 0.118056 LDB: TIME 7477.31 LOAD: AVG 0.118056 MAX 0.200125 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.285 MB LDB: TIME 7477.31 LOAD: AVG 0.118056 MAX 0.200125 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.488 MB LDB: TIME 7477.31 LOAD: AVG 0.118056 MAX 0.200125 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7477.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7477.32 PRESSURE: 2508400 179.866 -48.5374 31.1037 -48.5391 48.0263 -102.28 31.105 -102.28 -80.724 GPRESSURE: 2508400 192.001 -116.755 33.4211 -69.9976 57.647 -46.5825 -42.4546 -168.807 -6.50142 PRESSAVG: 2508400 -10.9637 2.82787 3.36227 2.8279 7.35497 -1.66562 3.36237 -1.66564 9.28061 GPRESSAVG: 2508400 -9.813 5.82159 5.37593 -0.794818 6.08386 -1.38632 1.32743 -1.63653 9.37836 TIMING: 2508400 CPU: 7474.19, 0.00304677/step Wall: 7474.19, 0.00304677/step, 2.10871 hours remaining, 207.347656 MB of memory in use. ENERGY: 2508400 757.6822 2105.1564 1942.8402 103.1815 -206329.7713 18134.5670 0.0000 0.0000 34187.4680 -149098.8760 298.5677 -183286.3441 -149013.1152 299.0213 49.0561 81.0490 559367.2207 1.8906 1.8831 PRESSURE: 2508600 248.368 148.957 -58.8319 148.959 299.112 20.9952 -58.8319 20.9953 -106.4 GPRESSURE: 2508600 303.467 81.679 -24.1885 191.09 297.564 70.7407 -56.7792 12.2695 -60.667 PRESSAVG: 2508600 37.0178 -33.7742 14.7998 -33.7742 6.648 -42.7704 14.7998 -42.7704 -4.96419 GPRESSAVG: 2508600 36.166 -35.4373 14.1974 -31.7866 8.09882 -43.8408 14.9587 -42.7471 -5.2636 TIMING: 2508600 CPU: 7474.78, 0.00297572/step Wall: 7474.78, 0.00297572/step, 2.05937 hours remaining, 207.347656 MB of memory in use. ENERGY: 2508600 723.8283 2053.4924 1934.9647 108.4274 -206427.3208 18163.0325 0.0000 0.0000 34350.5112 -149093.0645 299.9916 -183443.5756 -148991.9301 299.6086 147.0267 180.1214 558801.5643 12.9005 13.0004 PRESSURE: 2508800 -245.367 119.618 8.55537 119.619 -84.686 143.38 8.55554 143.381 -127.74 GPRESSURE: 2508800 -166.492 26.279 27.2774 148.77 -72.8856 146.943 0.471436 147.983 -117.234 PRESSAVG: 2508800 -6.80615 17.1466 -21.7234 17.1465 73.29 37.7619 -21.7233 37.7619 -48.5177 GPRESSAVG: 2508800 -6.71687 17.6614 -22.8666 16.2533 72.5813 36.6307 -20.5351 37.5703 -48.2025 TIMING: 2508800 CPU: 7475.38, 0.0029659/step Wall: 7475.38, 0.0029659/step, 2.0524 hours remaining, 207.347656 MB of memory in use. ENERGY: 2508800 780.9769 2086.0277 1943.9766 115.7347 -205905.3746 17571.2876 0.0000 0.0000 34116.8188 -149290.5523 297.9507 -183407.3711 -149199.5722 299.4503 -152.5978 -118.8703 557225.0422 5.9887 5.8873 PRESSURE: 2509000 -222.952 -67.8087 154.994 -67.8092 -44.4017 61.8506 154.994 61.85 0.987653 GPRESSURE: 2509000 -130.387 -91.6211 227.723 -22.2104 1.18962 8.67282 178.212 128.34 -56.7435 PRESSAVG: 2509000 10.4174 -56.6936 30.691 -56.6937 8.67015 -16.128 30.691 -16.1281 -9.61674 GPRESSAVG: 2509000 11.4429 -56.7169 30.9541 -56.656 8.58581 -14.5051 31.7116 -14.6864 -10.4689 TIMING: 2509000 CPU: 7475.98, 0.00299781/step Wall: 7475.98, 0.00299781/step, 2.07432 hours remaining, 207.605469 MB of memory in use. ENERGY: 2509000 731.6280 2071.2430 1959.3162 118.6618 -205938.5394 17621.5492 0.0000 0.0000 34171.5384 -149264.6027 298.4285 -183436.1411 -149165.4375 299.2833 -88.7887 -61.9802 557386.3914 3.1569 3.1866 PRESSURE: 2509200 -43.7171 116.812 -53.2623 116.812 51.1152 99.567 -53.2615 99.5677 -108.124 GPRESSURE: 2509200 14.6582 -51.477 -46.4505 142.828 -6.22918 83.9885 -57.2039 87.5284 -15.2633 PRESSAVG: 2509200 51.4578 -14.4845 -37.6181 -14.4845 -1.78003 -16.7076 -37.618 -16.7077 -49.0995 GPRESSAVG: 2509200 51.1656 -16.9762 -36.289 -13.9018 -0.788686 -17.2333 -38.4047 -17.9896 -50.006 TIMING: 2509200 CPU: 7476.57, 0.00297532/step Wall: 7476.57, 0.00297533/step, 2.05859 hours remaining, 207.605469 MB of memory in use. ENERGY: 2509200 765.4169 2092.3086 1971.9370 115.4922 -206000.1578 17651.4915 0.0000 0.0000 34250.7751 -149152.7366 299.1205 -183403.5116 -149056.0195 299.2790 -33.5754 -2.2781 557173.8504 0.1928 0.1236 PRESSURE: 2509400 -184.998 67.659 -59.7055 67.6588 -179.003 -84.5511 -59.7046 -84.5509 -241.561 GPRESSURE: 2509400 -190.868 39.1628 -37.9823 62.6219 -143.798 -9.0098 -117.451 -107.651 -188.05 PRESSAVG: 2509400 -19.3114 20.7892 -28.9022 20.7891 -31.0695 20.4016 -28.9022 20.4014 69.6179 GPRESSAVG: 2509400 -18.3082 21.8167 -30.4152 20.3309 -33.1332 20.7585 -30.0948 20.3753 71.1235 TIMING: 2509400 CPU: 7477.17, 0.00297182/step Wall: 7477.17, 0.00297182/step, 2.056 hours remaining, 207.605469 MB of memory in use. ENERGY: 2509400 728.5613 2049.6834 1956.0563 114.5666 -205735.5382 17361.2470 0.0000 0.0000 34378.0308 -149147.3928 300.2319 -183525.4236 -149043.7549 299.2821 -201.8538 -174.2385 558532.1797 6.4123 6.5607 PRESSURE: 2509600 -194.957 -112.572 -93.7783 -112.572 -312.891 108.923 -93.7778 108.923 -402.55 GPRESSURE: 2509600 -184.578 -161.216 -9.74412 -101.858 -274.441 129.926 -105.829 63.5585 -369.09 PRESSAVG: 2509600 -9.67342 12.2356 2.4473 12.2356 74.4607 34.2919 2.44738 34.292 -32.0634 GPRESSAVG: 2509600 -10.4856 10.56 3.82667 14.4429 76.1246 32.5639 3.5291 34.9378 -33.2076 TIMING: 2509600 CPU: 7477.77, 0.00300565/step Wall: 7477.77, 0.00300565/step, 2.07924 hours remaining, 207.605469 MB of memory in use. ENERGY: 2509600 762.3422 2033.7246 1937.1269 103.4599 -205467.3633 17324.2395 0.0000 0.0000 34118.0663 -149188.4038 297.9616 -183306.4701 -149093.2414 299.2570 -303.4661 -276.0364 559792.0850 10.9079 10.8105 PRESSURE: 2509800 -180.838 51.2625 -26.7247 51.2631 -189.285 129.234 -26.7227 129.233 -212.303 GPRESSURE: 2509800 -120.309 72.3866 3.98494 95.0203 -141.402 26.5541 -58.3635 175.173 -243.293 PRESSAVG: 2509800 13.8525 -50.0305 5.72974 -50.0305 2.28377 49.6228 5.72978 49.6229 24.2557 GPRESSAVG: 2509800 14.3432 -49.1116 6.41691 -50.324 2.20782 48.7934 3.38682 52.0403 23.7548 TIMING: 2509800 CPU: 7478.37, 0.00300886/step Wall: 7478.37, 0.00300886/step, 2.0813 hours remaining, 207.605469 MB of memory in use. ENERGY: 2509800 764.6463 2101.3328 1972.4267 106.7703 -205711.4338 17452.1205 0.0000 0.0000 34143.5492 -149170.5880 298.1841 -183314.1372 -149078.9941 299.2742 -194.1420 -168.3350 557241.9281 13.4640 13.4353 PRESSURE: 2510000 -144.625 17.6428 -155.857 17.6437 -23.916 -110.367 -155.855 -110.367 21.9128 GPRESSURE: 2510000 -94.6001 -49.125 -150.973 68.219 -18.3915 -210.704 -144.65 -89.5181 57.9004 PRESSAVG: 2510000 17.83 -7.39213 27.1866 -7.39211 -26.8067 26.7277 27.1866 26.7276 29.1351 GPRESSAVG: 2510000 17.9647 -8.02913 26.7384 -8.58132 -28.0069 28.5487 29.3211 24.7563 30.0151 TIMING: 2510000 CPU: 7478.96, 0.00297811/step Wall: 7478.96, 0.00297811/step, 2.05986 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: 2510000 757.9459 2081.9112 1943.8128 116.5906 -206011.4382 17676.8952 0.0000 0.0000 34195.9390 -149238.3436 298.6416 -183434.2826 -149141.0160 299.3124 -48.8761 -18.3637 557417.4231 6.7195 6.6576 PRESSURE: 2510200 -81.1127 137.145 67.8662 137.145 -167.414 67.6699 67.8651 67.6692 -121.127 GPRESSURE: 2510200 -80.8343 75.3529 23.973 182.191 -93.2016 115.209 88.3453 50.059 -96.2865 PRESSAVG: 2510200 -8.5306 38.9572 -53.4059 38.9572 14.3328 19.352 -53.4059 19.3521 -5.57668 GPRESSAVG: 2510200 -8.15974 39.5234 -52.5196 37.1161 14.8707 19.6031 -53.8187 18.8099 -5.91614 TIMING: 2510200 CPU: 7479.57, 0.0030059/step Wall: 7479.57, 0.0030059/step, 2.07892 hours remaining, 207.605469 MB of memory in use. ENERGY: 2510200 734.3919 2131.3344 1949.7092 116.0083 -206346.8408 17648.8162 0.0000 0.0000 34439.9297 -149326.6511 300.7725 -183766.5808 -149227.3486 300.2083 -123.2182 -90.1074 556283.0360 0.0752 0.2649 PRESSURE: 2510400 111.187 134.208 -0.44683 134.206 46.3086 134.173 -0.4455 134.173 10.6953 GPRESSURE: 2510400 76.6244 143.571 12.3991 168.211 158.797 105.953 -4.04196 123.967 23.1916 PRESSAVG: 2510400 46.8951 47.6249 19.9172 47.6249 27.8655 16.3161 19.9172 16.3161 -52.3584 GPRESSAVG: 2510400 45.525 47.8932 17.2089 49.3519 28.8625 16.9533 22.3071 14.3476 -52.1559 TIMING: 2510400 CPU: 7480.16, 0.00297515/step Wall: 7480.16, 0.00297515/step, 2.05748 hours remaining, 207.605469 MB of memory in use. ENERGY: 2510400 733.6065 2071.9713 1928.5871 100.1085 -206068.5930 17642.7473 0.0000 0.0000 34211.5287 -149380.0436 298.7778 -183591.5723 -149282.9107 299.7286 56.0635 86.2043 557070.8380 7.4674 7.4105 PRESSURE: 2510600 -115.832 11.5938 18.8179 11.5935 -106.609 -197.598 18.8177 -197.598 179.445 GPRESSURE: 2510600 -73.0372 61.5214 29.4798 -54.4296 -78.6629 -67.871 18.9126 -199.522 203.2 PRESSAVG: 2510600 -32.9519 41.4722 23.9376 41.4721 0.0134685 41.1535 23.9376 41.1535 22.4964 GPRESSAVG: 2510600 -32.3233 42.7033 24.3569 40.3467 -0.62445 39.5925 20.974 43.8164 22.6224 TIMING: 2510600 CPU: 7480.76, 0.00298215/step Wall: 7480.76, 0.00298215/step, 2.06216 hours remaining, 207.605469 MB of memory in use. ENERGY: 2510600 745.9571 2099.8141 1960.7781 117.1500 -206395.0105 17772.0593 0.0000 0.0000 34286.5861 -149412.6658 299.4333 -183699.2519 -149320.2328 298.9212 -14.3320 17.1666 557026.8548 -3.4807 -3.4418 PRESSURE: 2510800 126.13 -167.974 -105.523 -167.974 -57.0938 -181.267 -105.524 -181.267 -11.248 GPRESSURE: 2510800 172.213 -197.644 -98.8829 -193.233 -39.9762 -232.778 -68.0548 -225.84 20.5955 PRESSAVG: 2510800 18.8683 33.4562 -17.4408 33.4561 -66.0052 3.54 -17.441 3.53993 46.6006 GPRESSAVG: 2510800 18.9145 31.4956 -14.3065 34.9406 -66.4475 3.51065 -16.3479 3.10236 47.2562 TIMING: 2510800 CPU: 7481.36, 0.00299659/step Wall: 7481.36, 0.00299659/step, 2.07197 hours remaining, 207.605469 MB of memory in use. ENERGY: 2510800 760.5970 2050.8956 1951.0637 114.8816 -206255.0853 17941.9215 0.0000 0.0000 34073.2489 -149362.4771 297.5702 -183435.7260 -149267.9023 298.8601 19.2628 50.9440 556063.7570 -0.1788 -0.0923 PRESSURE: 2511000 42.0147 -8.65316 3.22456 -8.65255 -46.5753 78.0781 3.22549 78.0759 166.935 GPRESSURE: 2511000 115.338 1.30619 -20.4275 19.3874 -27.4507 76.7714 -95.7343 58.4079 165.361 PRESSAVG: 2511000 37.1594 -20.1769 -72.0689 -20.1769 40.961 9.68844 -72.0689 9.68825 -37.184 GPRESSAVG: 2511000 37.5555 -17.5611 -71.6688 -23.1807 41.3024 12.493 -72.44 7.49173 -38.004 TIMING: 2511000 CPU: 7481.96, 0.0030016/step Wall: 7481.96, 0.0030016/step, 2.07527 hours remaining, 207.605469 MB of memory in use. ENERGY: 2511000 759.3987 2052.8803 1961.8236 108.3141 -206750.5231 17991.6673 0.0000 0.0000 34464.2822 -149412.1569 300.9851 -183876.4391 -149313.9926 299.0297 54.1247 84.4162 556485.9616 13.6455 13.6179 PRESSURE: 2511200 -189.375 10.9441 25.1579 10.9444 -228.379 71.0076 25.1581 71.009 40.1724 GPRESSURE: 2511200 -156.083 -80.8736 -18.0441 36.3103 -224.256 17.8197 -8.81039 77.6925 99.9785 PRESSAVG: 2511200 -17.8261 -8.27312 5.8279 -8.27321 -54.2591 34.6398 5.82795 34.6397 38.174 GPRESSAVG: 2511200 -18.595 -11.6068 3.32588 -4.89196 -52.9068 32.8184 6.4188 36.4332 37.8576 TIMING: 2511200 CPU: 7482.56, 0.00299921/step Wall: 7482.56, 0.00299921/step, 2.07346 hours remaining, 207.605469 MB of memory in use. ENERGY: 2511200 745.8089 2150.2886 1943.2830 110.1688 -206295.0975 17578.1671 0.0000 0.0000 34195.6191 -149571.7621 298.6388 -183767.3812 -149478.7649 298.7835 -125.8604 -93.4534 555916.1021 -11.3038 -11.2147 PRESSURE: 2511400 153.793 -127.859 0.296677 -127.858 -276.829 -28.5288 0.297285 -28.5272 -156.996 GPRESSURE: 2511400 197.978 -55.9816 70.4775 -187.971 -259.581 11.6781 25.9111 43.354 -127.513 PRESSAVG: 2511400 69.7411 -6.83857 38.0773 -6.83852 -96.2102 15.8601 38.0773 15.8602 13.9138 GPRESSAVG: 2511400 68.5193 -6.15435 38.6481 -8.06768 -96.7614 13.3069 37.1022 16.6526 15.5744 TIMING: 2511400 CPU: 7483.16, 0.0030223/step Wall: 7483.16, 0.0030223/step, 2.08925 hours remaining, 207.605469 MB of memory in use. ENERGY: 2511400 749.6258 2053.8270 1926.6727 105.4463 -206280.6115 17605.9691 0.0000 0.0000 34358.9867 -149480.0839 300.0656 -183839.0705 -149390.0233 299.2366 -93.3436 -63.0387 555962.5524 -4.1851 -4.2225 PRESSURE: 2511600 366.928 47.492 -77.5521 47.4918 54.1913 27.3493 -77.55 27.3501 -27.3545 GPRESSURE: 2511600 411.827 -46.9749 34.2092 100.999 98.7883 -53.1489 -14.7016 45.1051 -7.10416 PRESSAVG: 2511600 39.5909 -0.905253 49.0387 -0.905232 5.16582 8.2646 49.0386 8.26458 -47.1206 GPRESSAVG: 2511600 40.1441 0.796134 50.7178 -1.46385 5.03552 9.51165 49.8133 8.37767 -47.9028 TIMING: 2511600 CPU: 7483.76, 0.0029735/step Wall: 7483.76, 0.0029735/step, 2.05535 hours remaining, 207.605469 MB of memory in use. ENERGY: 2511600 745.6800 2060.0449 1939.0139 115.4675 -206526.8232 17859.9742 0.0000 0.0000 34371.1656 -149435.4771 300.1719 -183806.6428 -149345.7056 299.0164 131.2551 167.8370 555089.6319 -0.7880 -0.9077 PRESSURE: 2511800 55.4275 22.1323 60.2424 22.131 10.0478 -100.731 60.2421 -100.729 -345.299 GPRESSURE: 2511800 20.3648 3.49776 42.2753 201.523 77.5686 -74.0069 8.23589 -59.205 -274.956 PRESSAVG: 2511800 40.0824 1.9532 6.37646 1.95316 -14.3582 -64.9019 6.37646 -64.9019 -48.1837 GPRESSAVG: 2511800 40.7888 -0.845018 5.39653 3.87631 -14.5363 -63.5888 4.20431 -67.8671 -48.7628 TIMING: 2511800 CPU: 7484.36, 0.00300286/step Wall: 7484.36, 0.00300286/step, 2.07548 hours remaining, 207.605469 MB of memory in use. ENERGY: 2511800 753.1978 2111.7830 1946.7570 101.1323 -206644.9856 17848.7767 0.0000 0.0000 34287.3912 -149595.9477 299.4403 -183883.3389 -149499.9971 298.9446 -93.2746 -59.0074 557627.1932 -7.4865 -7.5034 PRESSURE: 2512000 144.868 37.8384 -111.853 37.8393 101.22 17.3254 -111.853 17.3269 -15.9101 GPRESSURE: 2512000 152.314 80.8484 -143.442 -25.8817 127.646 23.4075 -30.3944 21.7948 36.8017 PRESSAVG: 2512000 16.0697 -22.6369 -15.1356 -22.637 54.898 -7.4822 -15.1356 -7.48215 -36.1337 GPRESSAVG: 2512000 16.7507 -20.4036 -14.8374 -22.1351 54.7353 -6.89346 -14.9495 -7.37972 -36.3056 TIMING: 2512000 CPU: 7484.96, 0.00301474/step Wall: 7484.96, 0.00301474/step, 2.08352 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: 2512000 720.3950 2111.2543 1954.6683 104.7010 -206486.4589 17891.9254 0.0000 0.0000 34277.7649 -149425.7500 299.3562 -183703.5149 -149330.2673 298.5287 76.7257 105.5872 555388.3953 11.6113 11.7268 PRESSURE: 2512200 190.526 -198.143 57.8726 -198.143 363.522 169.458 57.8735 169.459 -10.0357 GPRESSURE: 2512200 252.21 -120.242 10.4326 -173.545 393.929 114.651 38.5306 252.84 2.1442 PRESSAVG: 2512200 60.5338 -8.98062 2.98302 -8.98071 50.1538 15.5743 2.98296 15.5743 -80.0505 GPRESSAVG: 2512200 59.5184 -8.07628 0.480233 -10.2974 51.5331 14.3877 4.51091 17.5156 -80.1257 TIMING: 2512200 CPU: 7485.56, 0.00298695/step Wall: 7485.56, 0.00298695/step, 2.06415 hours remaining, 207.605469 MB of memory in use. ENERGY: 2512200 706.4856 2109.6423 1957.1801 110.2576 -206617.0124 17962.4090 0.0000 0.0000 34352.7339 -149418.3040 300.0110 -183771.0378 -149320.4610 298.7302 181.3373 216.0943 555117.3207 10.2124 10.3086 LDB: ============= START OF LOAD BALANCING ============== 7488.99 LDB: ============== END OF LOAD BALANCING =============== 7488.99 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7488.99 LDB: ============= START OF LOAD BALANCING ============== 7489.29 LDB: Largest compute 4849 load 0.024401 is 20.7% of average load 0.118065 LDB: Average compute 0.001720 is 1.5% of average load 0.118065 LDB: TIME 7489.29 LOAD: AVG 0.118065 MAX 0.204687 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.227 MB LDB: TIME 7489.29 LOAD: AVG 0.118065 MAX 0.204687 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: TIME 7489.29 LOAD: AVG 0.118065 MAX 0.204687 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7489.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7489.3 PRESSURE: 2512400 3.84324 -157.329 -75.2657 -157.33 -292.782 -59.9004 -75.2658 -59.9019 -41.9528 GPRESSURE: 2512400 47.7517 11.9684 55.1238 -272.395 -305.873 7.27418 -138.501 -62.4405 16.8324 PRESSAVG: 2512400 33.0346 16.0594 -3.7014 16.0594 -11.2308 28.3123 -3.70144 28.3124 -10.2976 GPRESSAVG: 2512400 33.1909 15.5402 -2.29198 18.2588 -11.8536 29.0384 -5.79863 26.458 -9.50845 TIMING: 2512400 CPU: 7486.17, 0.00306507/step Wall: 7486.17, 0.00306507/step, 2.11796 hours remaining, 205.738281 MB of memory in use. ENERGY: 2512400 750.0628 2066.7761 1964.0369 110.9142 -206160.9537 17666.8136 0.0000 0.0000 34098.5107 -149503.8395 297.7908 -183602.3502 -149411.9201 298.2488 -110.2973 -80.4296 558200.6841 3.8354 3.9429 PRESSURE: 2512600 -232.871 -110.769 39.574 -110.767 157.617 28.2956 39.5743 28.2958 60.5753 GPRESSURE: 2512600 -182.139 -92.6272 32.5045 0.302553 174.231 -11.7222 -14.833 55.1353 93.7465 PRESSAVG: 2512600 -9.70462 -16.3027 16.2453 -16.3026 11.9448 14.0963 16.2453 14.0963 16.4823 GPRESSAVG: 2512600 -9.23689 -17.0488 15.3031 -16.2493 11.4161 12.8907 16.5761 15.1674 16.3069 TIMING: 2512600 CPU: 7486.77, 0.00300174/step Wall: 7486.77, 0.00300174/step, 2.07403 hours remaining, 205.941406 MB of memory in use. ENERGY: 2512600 771.4991 2125.2889 1953.8191 111.2481 -206434.0524 17857.8435 0.0000 0.0000 34059.0922 -149555.2616 297.4465 -183614.3539 -149458.9215 298.5884 -4.8927 28.6129 557331.9575 6.2408 6.1620 PRESSURE: 2512800 330.182 149.728 40.9949 149.729 -88.1535 127.198 40.9942 127.198 -20.8794 GPRESSURE: 2512800 286.19 214.259 11.9308 69.8187 -10.0474 120.75 50.1391 143.572 38.5393 PRESSAVG: 2512800 -42.4292 4.37365 54.8768 4.37369 12.3371 53.0682 54.8768 53.0679 24.1755 GPRESSAVG: 2512800 -42.6231 3.16425 54.8724 4.32072 12.3875 51.6804 55.2407 55.107 24.4613 TIMING: 2512800 CPU: 7487.37, 0.00299177/step Wall: 7487.37, 0.00299177/step, 2.06698 hours remaining, 205.941406 MB of memory in use. ENERGY: 2512800 742.8345 2137.9948 1971.3352 108.4023 -206512.1791 17893.4345 0.0000 0.0000 34232.5526 -149425.6252 298.9614 -183658.1778 -149328.9924 298.5002 73.7162 104.8940 558170.1041 -1.9722 -1.9248 PRESSURE: 2513000 -269.504 70.6625 -18.6428 70.6626 -89.4992 8.58134 -18.642 8.583 -18.5373 GPRESSURE: 2513000 -231.006 17.6368 30.9139 73.2823 -73.5661 -48.7036 -8.95984 53.5768 14.2308 PRESSAVG: 2513000 30.7715 -4.69436 78.9087 -4.69437 -46.2945 31.7779 78.9087 31.7779 10.8792 GPRESSAVG: 2513000 29.6589 -2.79646 79.3436 -5.17673 -45.9495 34.1433 78.5148 30.7901 11.1925 TIMING: 2513000 CPU: 7487.97, 0.00298868/step Wall: 7487.97, 0.00298868/step, 2.06468 hours remaining, 205.941406 MB of memory in use. ENERGY: 2513000 756.2103 2043.0235 1928.8722 120.9801 -206101.1845 17765.2449 0.0000 0.0000 34085.3692 -149401.4843 297.6760 -183486.8536 -149297.7455 297.8282 -125.8468 -96.7805 558345.5177 -1.5480 -1.6994 PRESSURE: 2513200 -54.7418 52.1098 -49.6808 52.1092 -146.626 124.027 -49.6821 124.025 -3.12601 GPRESSURE: 2513200 -35.6997 45.3435 -32.0859 67.8651 -120.76 75.041 -36.9074 117.953 44.2167 PRESSAVG: 2513200 0.377864 -27.7838 80.6195 -27.7839 19.3535 -36.5738 80.6194 -36.5739 -24.2732 GPRESSAVG: 2513200 0.475231 -27.6081 79.6496 -27.551 18.7264 -36.1037 81.6488 -38.1479 -23.9084 TIMING: 2513200 CPU: 7488.56, 0.00298318/step Wall: 7488.56, 0.00298318/step, 2.06071 hours remaining, 205.941406 MB of memory in use. ENERGY: 2513200 748.9618 2054.3998 1928.0964 118.6884 -206095.3893 17720.1394 0.0000 0.0000 34189.0691 -149336.0345 298.5816 -183525.1036 -149246.7487 297.9876 -68.1647 -37.4142 558139.9715 -1.5140 -1.5689 PRESSURE: 2513400 -13.177 33.1308 40.6996 33.1297 31.9573 86.3436 40.6999 86.341 -56.1308 GPRESSURE: 2513400 37.4487 54.9514 74.4445 15.1882 26.1207 15.4731 59.6017 152.954 -6.04537 PRESSAVG: 2513400 -53.1334 -7.79517 5.03923 -7.79516 72.058 -12.7822 5.03915 -12.7823 -0.580112 GPRESSAVG: 2513400 -54.0554 -9.71148 7.14938 -8.56252 72.8925 -13.1404 3.83703 -12.3323 -0.818691 TIMING: 2513400 CPU: 7489.16, 0.00299127/step Wall: 7489.16, 0.00299127/step, 2.06614 hours remaining, 205.941406 MB of memory in use. ENERGY: 2513400 730.8934 2047.1151 1955.1010 114.0192 -206281.8507 17881.7389 0.0000 0.0000 34288.5568 -149264.4262 299.4505 -183552.9830 -149174.5478 298.8741 -12.4502 19.1747 558181.3700 6.1148 6.0061 PRESSURE: 2513600 330.554 35.3563 10.8379 35.3559 283.78 -11.4389 10.8385 -11.4388 -13.3982 GPRESSURE: 2513600 405.468 48.2025 5.80522 -14.7622 318.73 -25.0395 -11.8397 17.0679 -20.0475 PRESSAVG: 2513600 25.7938 26.6479 -13.2818 26.648 -20.9312 -16.605 -13.2817 -16.605 -15.6974 GPRESSAVG: 2513600 27.3657 28.861 -13.4695 25.6783 -21.369 -17.2383 -14.0301 -16.0394 -16.9489 TIMING: 2513600 CPU: 7489.77, 0.00302696/step Wall: 7489.77, 0.00302696/step, 2.09062 hours remaining, 205.941406 MB of memory in use. ENERGY: 2513600 738.3079 2034.3496 1951.2382 113.9086 -206254.0347 18036.3450 0.0000 0.0000 34090.9868 -149288.8986 297.7251 -183379.8854 -149188.2027 298.9747 200.3121 234.7168 558369.1705 -3.6116 -3.6507 PRESSURE: 2513800 137.138 29.2025 22.2844 29.202 51.1371 287.085 22.2848 287.083 -79.9682 GPRESSURE: 2513800 219.83 13.3232 170.598 2.0261 94.2203 227.201 -130.856 233.76 -116.747 PRESSAVG: 2513800 106.115 38.2012 -57.1912 38.201 -68.5211 8.83407 -57.1912 8.8341 -9.84811 GPRESSAVG: 2513800 104.847 36.8383 -57.7741 38.3815 -67.5748 8.81603 -54.0485 6.63413 -9.44071 TIMING: 2513800 CPU: 7490.37, 0.00301289/step Wall: 7490.37, 0.00301289/step, 2.08073 hours remaining, 205.941406 MB of memory in use. ENERGY: 2513800 745.1919 2042.5564 1961.8000 119.5973 -206438.2198 17882.5921 0.0000 0.0000 34460.9927 -149225.4894 300.9564 -183686.4821 -149125.6549 299.1603 36.1022 65.7676 557843.5843 9.2487 9.2772 PRESSURE: 2514000 -50.7246 53.7444 -41.4589 53.7442 -66.5338 32.9998 -41.459 33.0006 -380.028 GPRESSURE: 2514000 -103.964 146.374 -18.185 83.1997 9.58446 0.226479 -89.3524 37.7654 -311.042 PRESSAVG: 2514000 57.1304 -18.2662 -13.8949 -18.2662 24.1534 21.2675 -13.8948 21.2674 -75.8541 GPRESSAVG: 2514000 56.9721 -19.7007 -16.1153 -16.5809 24.4144 21.8252 -13.5735 21.0814 -75.8329 TIMING: 2514000 CPU: 7490.97, 0.00298485/step Wall: 7490.97, 0.00298485/step, 2.06121 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: 2514000 738.2241 2097.1583 1972.0555 117.4484 -206019.2806 17536.1337 0.0000 0.0000 34243.7560 -149314.5044 299.0592 -183558.2604 -149219.0679 299.4510 -165.7621 -135.1404 557658.7131 1.8099 1.8512 PRESSURE: 2514200 -26.2727 108.789 -10.5097 108.79 -37.2039 -110.222 -10.5087 -110.221 -93.536 GPRESSURE: 2514200 -17.8025 103.845 -45.4893 168.319 -2.43472 -59.7098 -70.6883 -33.1112 -48.2443 PRESSAVG: 2514200 11.9302 -30.2493 27.8037 -30.2492 2.38979 -41.6323 27.8037 -41.6324 -41.3743 GPRESSAVG: 2514200 12.2107 -29.4351 29.8845 -32.2678 0.798707 -42.7165 25.5491 -40.0225 -39.9477 TIMING: 2514200 CPU: 7491.56, 0.00298662/step Wall: 7491.56, 0.00298662/step, 2.06226 hours remaining, 205.941406 MB of memory in use. ENERGY: 2514200 764.3557 2058.9321 1949.3369 113.2136 -206165.1084 17762.9676 0.0000 0.0000 34083.7794 -149432.5231 297.6621 -183516.3025 -149340.7846 298.3574 -52.3375 -22.8272 559127.9723 -9.0181 -8.9794 PRESSURE: 2514400 -112.896 124.174 -84.1136 124.173 -312.783 67.8561 -84.1134 67.8555 -52.1431 GPRESSURE: 2514400 -50.9252 117.568 -47.5756 100.528 -289.092 22.365 -8.92629 44.8049 -54.9549 PRESSAVG: 2514400 -105.024 35.7422 23.3524 35.7421 23.8163 42.5628 23.3524 42.5628 21.5832 GPRESSAVG: 2514400 -105.367 34.9651 22.8844 38.3037 24.4288 44.5638 24.9449 41.5005 21.5649 TIMING: 2514400 CPU: 7492.16, 0.00298487/step Wall: 7492.16, 0.00298487/step, 2.06089 hours remaining, 205.941406 MB of memory in use. ENERGY: 2514400 725.9866 2115.6208 1940.7572 110.4614 -205839.8132 17692.0905 0.0000 0.0000 33908.9925 -149345.9042 296.1357 -183254.8967 -149251.9016 298.4387 -159.2741 -131.6573 558918.3488 -19.8748 -19.7911 PRESSURE: 2514600 -118.375 -60.8887 -84.368 -60.8887 30.1037 51.3148 -84.3676 51.3138 124.993 GPRESSURE: 2514600 -29.5908 -137.567 -29.2903 -55.2787 99.0333 -2.10612 -192.876 21.2187 67.1664 PRESSAVG: 2514600 -63.3858 -1.13959 -18.8905 -1.13964 1.57748 58.841 -18.8905 58.841 48.0089 GPRESSAVG: 2514600 -63.4239 0.236227 -19.3903 -4.44185 2.07787 58.8074 -17.7662 58.4502 47.3751 TIMING: 2514600 CPU: 7492.76, 0.002975/step Wall: 7492.76, 0.002975/step, 2.05391 hours remaining, 206.199219 MB of memory in use. ENERGY: 2514600 710.4963 2114.8058 1953.3033 109.3324 -206152.0118 17782.4479 0.0000 0.0000 34026.2132 -149455.4129 297.1594 -183481.6261 -149355.4669 298.8549 12.2404 45.5363 556941.3993 -4.5998 -4.6570 PRESSURE: 2514800 -176.894 -79.2825 -68.4923 -79.281 -98.1668 125.459 -68.4933 125.459 210.277 GPRESSURE: 2514800 -103.377 -26.3569 -47.7644 -42.7176 -47.3226 85.9119 -79.7902 93.292 186.748 PRESSAVG: 2514800 -24.2514 -36.3356 -36.6056 -36.3356 -8.98459 28.4939 -36.6057 28.4939 45.322 GPRESSAVG: 2514800 -23.8553 -37.2024 -35.1776 -34.9612 -8.4419 27.9307 -39.6521 29.1826 44.9899 TIMING: 2514800 CPU: 7493.36, 0.00301489/step Wall: 7493.36, 0.00301489/step, 2.08128 hours remaining, 206.199219 MB of memory in use. ENERGY: 2514800 739.8292 2109.1825 1939.2187 114.0393 -206250.6672 17923.3139 0.0000 0.0000 34190.2984 -149234.7852 298.5924 -183425.0836 -149143.0077 298.9493 -21.5948 12.0161 558393.2770 4.0287 4.2309 PRESSURE: 2515000 -248.569 -12.9495 -103.753 -12.9477 -205.918 23.3488 -103.754 23.3484 -33.0518 GPRESSURE: 2515000 -218.156 -56.4179 -79.5001 -66.9023 -179.379 52.3588 -175.422 29.472 5.14726 PRESSAVG: 2515000 84.3702 -1.12944 -58.938 -1.12948 -79.3199 -7.15667 -58.9381 -7.15667 2.60944 GPRESSAVG: 2515000 84.5199 -2.08528 -57.9311 -1.48584 -79.1642 -7.01872 -60.1214 -6.8731 2.15024 TIMING: 2515000 CPU: 7493.96, 0.00298808/step Wall: 7493.96, 0.00298808/step, 2.0626 hours remaining, 206.199219 MB of memory in use. ENERGY: 2515000 757.0837 2057.4231 1977.5607 112.1296 -206161.5080 17687.6390 0.0000 0.0000 34279.0327 -149290.6392 299.3673 -183569.6719 -149194.4050 299.1295 -162.5131 -130.7961 558123.9660 2.5532 2.5020 PRESSURE: 2515200 -110.098 64.8607 -39.8253 64.8616 -101.619 -239.172 -39.8246 -239.173 -363.634 GPRESSURE: 2515200 -58.5066 94.1007 -4.5813 156.806 -97.3948 -273.324 -63.0172 -236.505 -335.663 PRESSAVG: 2515200 12.3074 57.6831 -11.6064 57.683 -48.3476 -21.1085 -11.6065 -21.1087 8.63477 GPRESSAVG: 2515200 12.2507 59.3824 -13.6248 57.3729 -48.8998 -21.4751 -8.55919 -20.5092 9.25592 TIMING: 2515200 CPU: 7494.55, 0.00298223/step Wall: 7494.55, 0.00298223/step, 2.0584 hours remaining, 206.199219 MB of memory in use. ENERGY: 2515200 797.7794 2106.8994 1967.0745 117.9261 -205880.6592 17639.2236 0.0000 0.0000 34084.8688 -149166.8873 297.6716 -183251.7562 -149074.3760 299.4181 -191.7838 -163.8547 558966.7081 -9.1351 -9.1311 PRESSURE: 2515400 3.29211 -186.723 -188.766 -186.723 -244.673 -51.9229 -188.764 -51.9236 57.9016 GPRESSURE: 2515400 29.2607 -112.71 -281.45 -312.642 -192.73 -143.594 -199.48 -10.6924 78.2524 PRESSAVG: 2515400 77.0019 -64.7675 -7.08339 -64.7674 -100.589 -52.2127 -7.08339 -52.2129 50.1364 GPRESSAVG: 2515400 75.8596 -64.755 -4.79408 -64.5448 -100.196 -52.0522 -9.0796 -52.2234 50.3672 TIMING: 2515400 CPU: 7495.15, 0.00298689/step Wall: 7495.15, 0.00298689/step, 2.06145 hours remaining, 206.199219 MB of memory in use. ENERGY: 2515400 736.9478 2070.8815 1982.7904 121.2597 -206187.1955 17654.8171 0.0000 0.0000 34066.2570 -149554.2421 297.5091 -183620.4990 -149463.7242 299.1143 -61.1596 -28.4058 556633.2881 8.8497 8.6771 PRESSURE: 2515600 -94.9629 -18.0007 77.5203 -18.0006 -44.1049 4.05391 77.5202 4.05228 -317.336 GPRESSURE: 2515600 -71.8866 -38.7362 112.94 28.0687 -44.4566 -61.0976 116.907 -11.5709 -243.414 PRESSAVG: 2515600 -19.7696 -0.723358 -34.5488 -0.723307 -20.3582 -0.724779 -34.5489 -0.725024 41.3331 GPRESSAVG: 2515600 -19.3608 1.04784 -35.8233 -0.774081 -21.3109 -1.52447 -33.1604 -2.13137 40.8993 TIMING: 2515600 CPU: 7495.75, 0.00299972/step Wall: 7495.75, 0.00299972/step, 2.07014 hours remaining, 206.199219 MB of memory in use. ENERGY: 2515600 753.3876 2072.8097 1954.7502 107.8099 -206203.9567 17802.2259 0.0000 0.0000 33945.5365 -149567.4371 296.4548 -183512.9736 -149478.8932 297.6031 -152.1348 -119.9189 559213.5079 0.4017 0.0759 PRESSURE: 2515800 57.1813 47.6685 -83.7074 47.6685 -300.595 -148.587 -83.7057 -148.588 -220.95 GPRESSURE: 2515800 122.197 29.7538 -112.876 40.5954 -326.512 -157.625 -87.6495 -125.85 -160.392 PRESSAVG: 2515800 75.5519 3.13937 11.0937 3.13945 -12.0852 -29.1955 11.0936 -29.1955 -39.9348 GPRESSAVG: 2515800 74.3591 0.897123 12.3613 2.91374 -11.8015 -28.6321 10.9247 -28.7185 -38.4886 TIMING: 2515800 CPU: 7496.35, 0.00300521/step Wall: 7496.35, 0.00300521/step, 2.07376 hours remaining, 206.199219 MB of memory in use. ENERGY: 2515800 796.1571 2061.3879 1933.4932 111.1358 -206248.5025 17864.4302 0.0000 0.0000 34076.8227 -149405.0757 297.6014 -183481.8984 -149309.8486 298.4855 -154.7877 -121.5690 559329.8219 7.8440 8.0230 PRESSURE: 2516000 -171.579 124.145 216.07 124.146 126.092 -63.979 216.07 -63.9789 152.173 GPRESSURE: 2516000 -131.317 82.8732 185.746 125.046 106.647 -49.517 196.981 -124.26 238.317 PRESSAVG: 2516000 2.63101 37.8117 33.0886 37.8117 11.5009 29.7117 33.0886 29.7118 16.5609 GPRESSAVG: 2516000 3.92537 38.6976 30.4061 37.4899 12.5743 29.3758 32.0027 29.3886 13.665 TIMING: 2516000 CPU: 7496.95, 0.00298758/step Wall: 7496.95, 0.00298758/step, 2.06143 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: 2516000 731.4059 2036.1105 1954.9840 123.6209 -206663.6264 18054.2710 0.0000 0.0000 34370.6408 -149392.5934 300.1674 -183763.2341 -149295.1435 298.1614 35.5619 71.2154 559256.7197 10.2309 10.0549 PRESSURE: 2516200 138.634 181.421 33.4007 181.421 -202.447 -168.838 33.401 -168.837 -152.905 GPRESSURE: 2516200 119.184 226.805 63.5927 108.798 -145.038 -169.092 57.8793 -160.729 -99.3431 PRESSAVG: 2516200 6.36657 7.0721 17.8351 7.07209 -14.9431 -14.5433 17.8352 -14.5433 20.8055 GPRESSAVG: 2516200 6.10748 7.62365 19.3205 6.94335 -16.0672 -15.7628 19.2587 -14.5136 22.4516 TIMING: 2516200 CPU: 7497.54, 0.00296901/step Wall: 7497.54, 0.00296901/step, 2.04845 hours remaining, 206.199219 MB of memory in use. ENERGY: 2516200 754.6644 2120.3984 1954.8979 123.3208 -206288.5588 17844.0446 0.0000 0.0000 34176.9783 -149314.2544 298.4761 -183491.2327 -149215.3175 298.7720 -72.2392 -41.7322 558355.7123 4.0763 4.1640 LDB: ============= START OF LOAD BALANCING ============== 7500.97 LDB: ============== END OF LOAD BALANCING =============== 7500.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7500.97 LDB: ============= START OF LOAD BALANCING ============== 7501.27 LDB: Largest compute 4849 load 0.025453 is 21.5% of average load 0.118201 LDB: Average compute 0.001717 is 1.5% of average load 0.118201 LDB: TIME 7501.27 LOAD: AVG 0.118201 MAX 0.200413 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.418 MB LDB: TIME 7501.27 LOAD: AVG 0.118201 MAX 0.200413 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.418 MB LDB: TIME 7501.27 LOAD: AVG 0.118201 MAX 0.200413 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.418 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7501.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7501.28 PRESSURE: 2516400 93.093 -175.792 100.447 -175.793 -148.081 -182.158 100.447 -182.157 -135.47 GPRESSURE: 2516400 109.988 -147.965 111.048 -151.32 -117 -154.139 68.4963 -123.773 -87.0995 PRESSAVG: 2516400 93.4044 29.7534 19.9423 29.7534 -19.0781 -8.96657 19.9424 -8.96662 -66.258 GPRESSAVG: 2516400 94.1627 29.2348 17.5798 32.3046 -19.4556 -8.43063 20.7043 -8.29734 -66.4537 TIMING: 2516400 CPU: 7498.15, 0.00303553/step Wall: 7498.15, 0.00303553/step, 2.09418 hours remaining, 207.410156 MB of memory in use. ENERGY: 2516400 715.9177 2109.7935 1934.4555 119.8987 -205920.5359 17613.0931 0.0000 0.0000 34103.1321 -149324.2454 297.8311 -183427.3775 -149220.6072 299.1043 -63.4860 -31.3706 558929.5476 2.6894 2.7511 PRESSURE: 2516600 70.0328 94.8074 211.528 94.8088 -277.638 -91.1716 211.528 -91.1716 -343.833 GPRESSURE: 2516600 71.2281 93.1813 105.489 20.2825 -227.441 -56.0876 174.629 -139.031 -293.295 PRESSAVG: 2516600 39.6634 12.2458 -1.00684 12.2458 -37.3872 9.8612 -1.00692 9.86127 -14.2885 GPRESSAVG: 2516600 39.9711 13.7252 0.664404 12.1576 -36.448 9.46304 -2.58816 10.7058 -14.9766 TIMING: 2516600 CPU: 7498.75, 0.00300744/step Wall: 7498.75, 0.00300744/step, 2.07463 hours remaining, 207.480469 MB of memory in use. ENERGY: 2516600 763.6099 2106.0744 1938.2863 121.6158 -206098.6698 17623.8771 0.0000 0.0000 34122.7781 -149422.4282 298.0027 -183545.2063 -149324.5054 298.9300 -183.8126 -149.8360 559127.4580 -4.0041 -3.8179 PRESSURE: 2516800 -141.166 212.197 128.295 212.197 -166.42 14.4681 128.295 14.4676 -85.8465 GPRESSURE: 2516800 -77.7559 178.373 81.8849 215.161 -143.808 -141.17 158.67 18.0181 -72.2348 PRESSAVG: 2516800 22.4678 27.0665 12.9073 27.0665 -26.8816 35.2821 12.9074 35.2821 -0.378181 GPRESSAVG: 2516800 22.2347 24.9049 10.771 25.3114 -26.7426 37.0348 14.4089 35.0431 0.121031 TIMING: 2516800 CPU: 7499.35, 0.00299685/step Wall: 7499.35, 0.00299685/step, 2.06716 hours remaining, 207.480469 MB of memory in use. ENERGY: 2516800 783.9715 2132.8225 1936.0479 116.5851 -206521.1066 17720.4926 0.0000 0.0000 34350.7653 -149480.4217 299.9938 -183831.1871 -149388.8747 298.6462 -131.1441 -97.9330 555450.6674 -1.5973 -1.4623 PRESSURE: 2517000 -194.853 32.4743 -4.34728 32.4723 -72.2205 172.014 -4.34739 172.014 -155.936 GPRESSURE: 2517000 -144.72 28.4113 -107.237 54.4152 -15.9017 125.867 20.5538 220.903 -168.536 PRESSAVG: 2517000 19.7201 -9.03395 10.1293 -9.03401 -23.7291 -31.0351 10.1293 -31.0351 41.9344 GPRESSAVG: 2517000 19.6127 -9.3027 11.355 -7.98522 -23.013 -31.8866 8.61015 -32.0007 41.7096 TIMING: 2517000 CPU: 7499.95, 0.00298185/step Wall: 7499.95, 0.00298185/step, 2.05665 hours remaining, 207.480469 MB of memory in use. ENERGY: 2517000 755.9364 2120.5456 1950.6167 121.6565 -206264.0418 17680.0164 0.0000 0.0000 34031.4343 -149603.8360 297.2050 -183635.2703 -149511.7872 298.3682 -141.0030 -109.7191 557902.1429 12.6418 12.7698 PRESSURE: 2517200 89.7291 108.908 144.521 108.909 -77.0434 -157.896 144.522 -157.895 195.042 GPRESSURE: 2517200 138.629 95.4978 146.232 64.2242 -72.2229 -146.374 136.849 -111.387 243.953 PRESSAVG: 2517200 -15.6891 -40.4619 -15.5236 -40.4618 -21.2899 47.8358 -15.5236 47.8357 65.6639 GPRESSAVG: 2517200 -16.3132 -39.2098 -14.4622 -39.7434 -21.0853 48.1523 -13.8813 46.3658 66.5269 TIMING: 2517200 CPU: 7500.55, 0.00301397/step Wall: 7500.55, 0.00301397/step, 2.07863 hours remaining, 207.480469 MB of memory in use. ENERGY: 2517200 740.0122 2072.2088 1934.9616 100.3559 -206839.5914 18157.2779 0.0000 0.0000 34173.1810 -149661.5940 298.4429 -183834.7750 -149569.4237 297.6010 69.2424 103.4530 557086.3539 9.5616 9.7094 PRESSURE: 2517400 19.7956 -126.136 -12.1602 -126.136 202.216 -45.3216 -12.1601 -45.3218 -279.948 GPRESSURE: 2517400 19.2298 -201.375 -83.1982 -120.987 213.188 -71.9653 -46.0554 -39.8494 -193.629 PRESSAVG: 2517400 -67.2028 -46.7474 10.1906 -46.7474 14.5254 -111.934 10.1906 -111.934 24.7659 GPRESSAVG: 2517400 -67.4986 -47.7652 8.6237 -46.2363 14.8323 -110.978 9.60994 -111.766 24.5873 TIMING: 2517400 CPU: 7501.15, 0.00300983/step Wall: 7501.15, 0.00300983/step, 2.07561 hours remaining, 207.480469 MB of memory in use. ENERGY: 2517400 761.3358 2060.1582 1933.4438 121.2936 -206606.9179 18001.1103 0.0000 0.0000 34165.2890 -149564.2873 298.3740 -183729.5763 -149460.9278 297.4681 -19.3119 12.9296 557964.0488 -9.3038 -9.3597 PRESSURE: 2517600 75.592 -45.1431 7.0738 -45.143 164.803 10.8621 7.0737 10.8603 63.0865 GPRESSURE: 2517600 157.033 -92.5423 75.8425 -50.3635 225.953 33.1401 -17.5746 55.6629 29.8972 PRESSAVG: 2517600 -30.6481 -34.3697 40.321 -34.3697 61.1891 5.27351 40.321 5.27357 -18.5568 GPRESSAVG: 2517600 -29.7646 -34.7802 40.6015 -35.507 59.7897 2.87993 40.5355 8.04469 -17.6024 TIMING: 2517600 CPU: 7501.75, 0.00300392/step Wall: 7501.75, 0.00300392/step, 2.07137 hours remaining, 207.480469 MB of memory in use. ENERGY: 2517600 761.5280 2107.8285 1936.4280 116.5627 -206624.0914 17959.8828 0.0000 0.0000 34144.7466 -149597.1149 298.1946 -183741.8615 -149501.5549 298.2272 101.1604 137.6278 556647.1547 3.9948 4.1409 PRESSURE: 2517800 -261.17 79.9959 -60.1524 79.9953 -96.4182 50.2193 -60.1524 50.2186 119.154 GPRESSURE: 2517800 -224.997 50.9999 -3.38289 21.5634 -51.4142 72.1001 -100.624 25.2108 140.543 PRESSAVG: 2517800 -7.38764 -65.002 -1.7568 -65.002 33.9333 26.2161 -1.75687 26.2159 12.0442 GPRESSAVG: 2517800 -6.72469 -65.7943 -2.0483 -65.9117 34.3348 28.3972 -2.19953 24.4831 10.8404 TIMING: 2517800 CPU: 7502.35, 0.00298833/step Wall: 7502.35, 0.00298833/step, 2.06045 hours remaining, 207.480469 MB of memory in use. ENERGY: 2517800 778.1240 2047.3491 1953.7069 119.3333 -206408.6026 17710.9918 0.0000 0.0000 34309.1136 -149489.9838 299.6300 -183799.0975 -149398.3127 297.9601 -79.4781 -45.2893 557443.0924 12.8633 12.8168 PRESSURE: 2518000 -89.3022 -36.0848 176.796 -36.0861 112.738 -97.6397 176.795 -97.6381 -85.8037 GPRESSURE: 2518000 -121.709 -6.7041 149.968 -40.0703 154.952 -135.948 130.185 -73.2868 15.11 PRESSAVG: 2518000 -17.1901 -72.2197 -2.84512 -72.2197 -21.8802 -5.75623 -2.84512 -5.75622 60.9864 GPRESSAVG: 2518000 -18.2142 -68.4972 -0.0298085 -73.0304 -21.0874 -5.61549 -3.27102 -7.07775 61.21 TIMING: 2518000 CPU: 7502.95, 0.00301269/step Wall: 7502.95, 0.00301269/step, 2.07708 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: 2518000 770.1365 2107.0622 1925.2986 122.8209 -206088.1700 17795.1814 0.0000 0.0000 33944.2522 -149423.4182 296.4436 -183367.6704 -149321.9321 298.5804 -20.7893 16.1175 557133.5435 7.3054 7.3028 PRESSURE: 2518200 293.116 98.5285 56.1869 98.5299 49.706 73.0572 56.1869 73.0565 25.1559 GPRESSURE: 2518200 339.25 -26.3678 -3.60014 163.176 44.2614 67.9984 85.9011 123.585 77.1041 PRESSAVG: 2518200 -22.659 -7.37614 -11.9086 -7.37605 -9.06137 -35.1111 -11.9086 -35.1111 26.9467 GPRESSAVG: 2518200 -21.4553 -8.64382 -14.1161 -7.01886 -10.1672 -35.5328 -10.5193 -34.8277 26.349 TIMING: 2518200 CPU: 7503.55, 0.00298453/step Wall: 7503.55, 0.00298453/step, 2.0575 hours remaining, 207.480469 MB of memory in use. ENERGY: 2518200 722.4248 2082.9208 1952.7888 117.9858 -206332.9160 17909.6467 0.0000 0.0000 34226.1136 -149321.0354 298.9052 -183547.1491 -149220.5068 298.7492 122.6593 153.5386 557259.7873 -1.5912 -1.7578 PRESSURE: 2518400 -207.557 40.833 -74.7847 40.8318 74.032 -32.284 -74.7849 -32.2849 -424.621 GPRESSURE: 2518400 -202.038 -26.1611 -129.821 115.371 105.172 -5.94935 -24.9463 40.0035 -372.023 PRESSAVG: 2518400 -5.46859 0.379286 22.2062 0.379187 -7.76231 12.2769 22.2061 12.2769 8.29116 GPRESSAVG: 2518400 -6.55451 -0.301112 22.7569 1.71277 -6.98972 9.6613 20.8413 12.82 8.11246 TIMING: 2518400 CPU: 7504.15, 0.00298101/step Wall: 7504.15, 0.00298101/step, 2.05491 hours remaining, 207.480469 MB of memory in use. ENERGY: 2518400 755.6213 2127.9333 1948.9027 107.7493 -205934.4648 17608.2282 0.0000 0.0000 34182.2297 -149203.8003 298.5219 -183386.0299 -149107.9496 299.1472 -186.0489 -156.2963 558858.3056 -1.6466 -1.8106 PRESSURE: 2518600 13.647 107.278 -91.6105 107.278 -244.709 59.7154 -91.6096 59.7165 -189.638 GPRESSURE: 2518600 41.5401 144.728 -107.616 103.171 -234.376 109.085 -44.6289 -16.9951 -131.076 PRESSAVG: 2518600 11.2132 21.8678 55.6982 21.8678 59.3406 35.5674 55.6983 35.5674 -45.6119 GPRESSAVG: 2518600 13.2662 20.1964 55.454 23.0584 57.7718 37.2275 56.4082 35.2563 -45.7631 TIMING: 2518600 CPU: 7504.75, 0.00300931/step Wall: 7504.75, 0.00300931/step, 2.07425 hours remaining, 207.480469 MB of memory in use. ENERGY: 2518600 757.7320 2095.1444 1947.8199 127.2984 -206005.4857 17732.0061 0.0000 0.0000 34018.7539 -149326.7312 297.0942 -183345.4851 -149238.3698 299.4676 -140.2334 -107.9709 558407.9075 8.3140 8.4250 PRESSURE: 2518800 236.516 -128.509 -46.3518 -128.51 12.01 -92.3821 -46.352 -92.3833 99.0451 GPRESSURE: 2518800 242.883 -87.8624 -41.385 -158.309 24.71 -86.2922 -55.162 -34.7809 173.874 PRESSAVG: 2518800 12.6095 17.5734 29.5715 17.5734 4.64366 43.1766 29.5716 43.1765 -3.06092 GPRESSAVG: 2518800 10.6534 20.179 29.8028 14.875 5.89675 43.4892 29.3941 43.3508 -2.07925 TIMING: 2518800 CPU: 7505.35, 0.00299134/step Wall: 7505.35, 0.00299134/step, 2.0617 hours remaining, 207.480469 MB of memory in use. ENERGY: 2518800 739.8682 2109.9142 1942.5597 105.1226 -206452.4228 17976.5634 0.0000 0.0000 34287.6550 -149290.7397 299.4426 -183578.3947 -149197.7632 298.7267 115.8570 147.1557 557139.5812 4.7307 4.8236 PRESSURE: 2519000 24.657 61.9143 93.0423 61.9138 -63.7153 95.1429 93.0425 95.1411 -130.391 GPRESSURE: 2519000 -6.86912 13.2063 -18.4603 186.969 41.4044 68.6151 30.9426 94.9458 -105.297 PRESSAVG: 2519000 13.2246 -33.7894 -39.7322 -33.7893 -42.8247 49.3735 -39.7322 49.3734 13.6944 GPRESSAVG: 2519000 13.342 -34.661 -40.0785 -33.2853 -41.8393 49.3696 -40.5125 50.6321 12.5884 TIMING: 2519000 CPU: 7505.94, 0.0029921/step Wall: 7505.94, 0.0029921/step, 2.06206 hours remaining, 207.480469 MB of memory in use. ENERGY: 2519000 766.8237 2062.0910 1976.4373 102.5887 -206146.2115 17782.2824 0.0000 0.0000 34249.0253 -149206.9631 299.1053 -183455.9883 -149118.5133 299.2633 -56.4831 -23.5871 557328.2851 -5.3019 -5.3030 PRESSURE: 2519200 -266.343 10.1155 -120.23 10.1154 -53.9022 60.0822 -120.231 60.0834 176.823 GPRESSURE: 2519200 -271.936 24.1439 -147.648 65.6 1.88731 -14.8815 -93.0017 2.71558 238.621 PRESSAVG: 2519200 -48.5054 25.4403 -29.6434 25.4403 -18.307 38.6303 -29.6433 38.6303 57.9137 GPRESSAVG: 2519200 -48.0189 23.5553 -29.4317 25.8762 -18.8853 37.9567 -27.7811 37.99 57.8951 TIMING: 2519200 CPU: 7506.55, 0.00302919/step Wall: 7506.55, 0.00302918/step, 2.08744 hours remaining, 207.480469 MB of memory in use. ENERGY: 2519200 739.9276 2018.9839 1962.2924 108.2856 -206176.9268 17782.0078 0.0000 0.0000 34125.8750 -149439.5545 298.0298 -183565.4295 -149347.1745 298.6483 -47.8074 -10.4759 557544.7135 -2.9662 -3.0030 PRESSURE: 2519400 -282.728 122.468 -127.167 122.469 -16.983 10.0236 -127.167 10.0222 50.365 GPRESSURE: 2519400 -235.808 114.213 -172.812 146.884 22.4876 48.829 -140.555 10.078 56.376 PRESSAVG: 2519400 -48.4146 31.2831 -20.5531 31.2832 -3.47617 23.228 -20.5531 23.2278 63.8549 GPRESSAVG: 2519400 -48.5254 30.088 -22.607 32.7779 -3.35755 22.7404 -20.2892 23.7997 63.7817 TIMING: 2519400 CPU: 7507.16, 0.00304527/step Wall: 7507.16, 0.00304527/step, 2.09836 hours remaining, 207.480469 MB of memory in use. ENERGY: 2519400 729.4508 2044.0453 1970.8466 115.6831 -205979.3627 17708.3218 0.0000 0.0000 34031.7553 -149379.2598 297.2078 -183411.0151 -149286.0696 298.1737 -83.1154 -52.3148 558241.0325 3.9880 3.9662 PRESSURE: 2519600 -78.1954 134.451 -111.847 134.451 -226.266 8.06663 -111.847 8.06834 224.698 GPRESSURE: 2519600 -25.9202 126.947 -75.8053 76.2389 -139.434 -20.761 -94.1428 15.3567 185.164 PRESSAVG: 2519600 8.44996 -12.5234 62.1452 -12.5235 -93.8798 -6.00284 62.1451 -6.00293 46.2769 GPRESSAVG: 2519600 8.1071 -10.843 62.476 -14.5599 -93.1369 -6.95402 61.1785 -7.11266 45.9083 TIMING: 2519600 CPU: 7507.76, 0.00299953/step Wall: 7507.76, 0.00299953/step, 2.06668 hours remaining, 207.480469 MB of memory in use. ENERGY: 2519600 764.9767 2078.8167 1974.8800 105.7513 -206530.4603 17905.4854 0.0000 0.0000 34227.2459 -149473.3043 298.9151 -183700.5502 -149388.7327 298.6288 -26.5879 6.6031 556733.7213 -13.0510 -13.0405 PRESSURE: 2519800 -21.2616 127.258 -16.351 127.259 -171.745 19.4468 -16.3506 19.4481 -24.7034 GPRESSURE: 2519800 39.3753 118.481 -38.8076 75.9104 -160.214 -4.39015 35.4116 74.4263 -7.49167 PRESSAVG: 2519800 8.84517 -2.70589 -10.4059 -2.70579 -0.373978 -29.5404 -10.4058 -29.5403 37.0026 GPRESSAVG: 2519800 8.81879 -0.127745 -9.02718 -4.68658 -2.01505 -29.6403 -10.81 -29.4075 38.026 TIMING: 2519800 CPU: 7508.36, 0.00302767/step Wall: 7508.36, 0.00302767/step, 2.0859 hours remaining, 207.480469 MB of memory in use. ENERGY: 2519800 736.7882 2096.7253 1952.5617 109.6362 -206161.6268 17763.9260 0.0000 0.0000 34118.8264 -149383.1630 297.9682 -183501.9894 -149289.2645 298.3216 -72.5700 -42.7769 557102.0306 15.1579 14.9433 PRESSURE: 2520000 -7.71908 0.215711 -115.868 0.216089 -35.8912 -74.2812 -115.868 -74.2825 -170.25 GPRESSURE: 2520000 39.3662 -36.6253 -54.1271 13.9436 -3.06243 -47.7382 -128.136 -68.6598 -150.001 PRESSAVG: 2520000 -3.53556 11.6417 -32.6571 11.6417 -52.7371 -57.7625 -32.6571 -57.7625 -1.63221 GPRESSAVG: 2520000 -2.43641 8.21746 -30.3636 14.1038 -52.6387 -56.2447 -34.5144 -56.5191 -2.17541 TIMING: 2520000 CPU: 7508.97, 0.00302542/step Wall: 7508.97, 0.00302542/step, 2.08418 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: 2520000 710.7631 2113.7168 1969.1244 122.0939 -206363.1350 17749.8098 0.0000 0.0000 34292.2669 -149405.3601 299.4829 -183697.6270 -149313.5883 299.2561 -71.2867 -37.8989 556066.3912 -19.3016 -19.0835 PRESSURE: 2520200 -97.7246 -117.058 39.1188 -117.058 -298.848 51.738 39.1192 51.7377 -95.5681 GPRESSURE: 2520200 -67.2067 -62.3723 56.192 -96.6166 -270.906 80.0118 17.2835 65.7395 -57.2453 PRESSAVG: 2520200 98.7935 38.9711 -37.3018 38.9711 -62.0308 48.864 -37.3016 48.8639 -35.3486 GPRESSAVG: 2520200 98.5554 41.2533 -38.5001 38.3927 -61.2446 49.5109 -33.87 45.7416 -35.9147 TIMING: 2520200 CPU: 7509.57, 0.00300942/step Wall: 7509.57, 0.00300942/step, 2.07299 hours remaining, 207.480469 MB of memory in use. ENERGY: 2520200 703.9640 2116.8712 1937.4435 97.6682 -206365.1582 17650.5531 0.0000 0.0000 34306.6502 -149552.0080 299.6085 -183858.6582 -149460.3846 299.1419 -164.0468 -131.7859 557319.4527 0.4713 0.4653 LDB: ============= START OF LOAD BALANCING ============== 7513 LDB: ============== END OF LOAD BALANCING =============== 7513 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7513 LDB: ============= START OF LOAD BALANCING ============== 7513.3 LDB: Largest compute 4849 load 0.026996 is 22.9% of average load 0.117974 LDB: Average compute 0.001728 is 1.5% of average load 0.117974 LDB: TIME 7513.3 LOAD: AVG 0.117974 MAX 0.203863 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.902 MB LDB: TIME 7513.3 LOAD: AVG 0.117974 MAX 0.203863 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.902 MB LDB: TIME 7513.3 LOAD: AVG 0.117974 MAX 0.203863 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.902 MB LDB: ============== END OF LOAD BALANCING =============== 7513.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7513.31 PRESSURE: 2520400 -180.158 -52.8272 16.5044 -52.826 -62.807 110.747 16.5049 110.746 -47.3043 GPRESSURE: 2520400 -133.887 -109.671 -42.5548 -79.7492 -21.5533 85.2828 36.502 141.836 -44.1841 PRESSAVG: 2520400 -44.7171 -34.7935 0.68234 -34.7935 39.888 25.9138 0.682267 25.9138 23.7554 GPRESSAVG: 2520400 -44.2015 -36.8624 -0.910693 -33.8662 38.7899 23.458 0.0393153 27.9068 24.3139 TIMING: 2520400 CPU: 7510.18, 0.00304999/step Wall: 7510.18, 0.00304999/step, 2.10076 hours remaining, 205.417969 MB of memory in use. ENERGY: 2520400 699.7136 2134.9256 1965.2816 106.1216 -206276.4651 17756.4190 0.0000 0.0000 34105.7201 -149508.2836 297.8537 -183614.0037 -149406.1818 298.0754 -96.7566 -66.5416 557967.3027 6.3088 6.3008 PRESSURE: 2520600 83.2344 54.2723 -155.543 54.2714 146.528 -17.4011 -155.544 -17.4013 277.449 GPRESSURE: 2520600 89.0008 51.0902 -80.139 52.3146 210.981 -13.6133 -113.589 8.15739 304.904 PRESSAVG: 2520600 -28.6928 30.8938 10.1754 30.8937 68.1354 -13.2108 10.1755 -13.2108 10.5835 GPRESSAVG: 2520600 -29.3876 30.6669 12.1773 29.6738 68.8707 -9.76646 8.49832 -14.558 10.2133 TIMING: 2520600 CPU: 7510.79, 0.00302031/step Wall: 7510.79, 0.00302031/step, 2.08015 hours remaining, 205.417969 MB of memory in use. ENERGY: 2520600 742.6937 2120.0637 1922.8517 103.5092 -207069.7169 18441.7253 0.0000 0.0000 34153.9821 -149584.8913 298.2752 -183738.8734 -149493.9850 298.4661 169.0705 201.6286 557149.8292 16.6754 16.5654 PRESSURE: 2520800 -3.01071 -64.1184 55.9971 -64.1185 -249.044 132.689 55.9958 132.688 118.519 GPRESSURE: 2520800 5.66737 -98.7071 70.3593 33.3165 -178.371 176.338 40.8698 213.399 133.338 PRESSAVG: 2520800 -23.9102 -17.1777 -15.8255 -17.1779 20.2617 7.55063 -15.8255 7.55079 -1.82976 GPRESSAVG: 2520800 -23.5805 -13.8217 -15.3548 -16.0225 20.7054 7.67691 -16.6122 8.52066 -2.49974 TIMING: 2520800 CPU: 7511.39, 0.00300783/step Wall: 7511.39, 0.00300783/step, 2.07139 hours remaining, 205.417969 MB of memory in use. ENERGY: 2520800 755.0008 2100.6342 1941.6766 120.7538 -206278.6520 17815.9154 0.0000 0.0000 34246.0312 -149298.6401 299.0791 -183544.6712 -149203.8099 298.7336 -44.5119 -13.1217 558286.3400 -1.8261 -1.7916 PRESSURE: 2521000 -300.553 -180.582 103.155 -180.582 -327.752 4.64168 103.155 4.64099 -354.548 GPRESSURE: 2521000 -234.953 -165.588 66.3498 -192.058 -268.658 9.87026 211.655 27.6243 -383.54 PRESSAVG: 2521000 -26.379 16.7996 -49.8295 16.7996 38.6617 28.8425 -49.8294 28.8425 -70.1127 GPRESSAVG: 2521000 -26.2578 13.7105 -50.6033 14.8997 38.5189 28.7825 -49.6809 29.4926 -70.0773 TIMING: 2521000 CPU: 7511.99, 0.00302229/step Wall: 7511.99, 0.00302229/step, 2.08118 hours remaining, 205.417969 MB of memory in use. ENERGY: 2521000 723.3571 2097.6943 1943.4275 113.9468 -206225.6974 17550.0929 0.0000 0.0000 34382.7251 -149414.4536 300.2729 -183797.1787 -149313.3903 298.8095 -327.6176 -295.7173 559034.6729 -19.2767 -19.2721 PRESSURE: 2521200 -25.4914 110.436 182.714 110.436 142.882 54.535 182.713 54.5357 -44.1727 GPRESSURE: 2521200 -50.3441 4.19588 119.444 187.309 217.459 44.6484 190.229 16.3166 -6.6423 PRESSAVG: 2521200 -47.038 28.3417 24.6274 28.3418 32.2729 29.9612 24.6273 29.9612 -7.80055 GPRESSAVG: 2521200 -47.4659 27.7726 24.2109 29.891 32.0943 28.798 25.2678 30.7514 -7.45552 TIMING: 2521200 CPU: 7512.59, 0.0030038/step Wall: 7512.59, 0.0030038/step, 2.06829 hours remaining, 205.417969 MB of memory in use. ENERGY: 2521200 737.5103 2088.8049 1952.3372 113.0292 -206717.3034 18162.5748 0.0000 0.0000 34362.7902 -149300.2568 300.0988 -183663.0471 -149205.5961 298.5538 24.4060 53.4910 557606.7082 -7.5219 -7.6091 PRESSURE: 2521400 -19.8617 46.2435 -27.7264 46.242 113.552 50.1058 -27.7277 50.1039 210.964 GPRESSURE: 2521400 -32.6391 35.3645 -101.361 1.85602 170.601 63.9281 17.4948 17.9778 264.586 PRESSAVG: 2521400 -51.6355 0.140273 -22.6165 0.140211 -73.5708 14.609 -22.6165 14.609 82.9735 GPRESSAVG: 2521400 -49.8272 2.15171 -22.0295 -0.858298 -75.0823 14.191 -23.5442 12.9591 82.868 TIMING: 2521400 CPU: 7513.2, 0.00301689/step Wall: 7513.2, 0.00301689/step, 2.07713 hours remaining, 205.417969 MB of memory in use. ENERGY: 2521400 733.2207 2104.3614 1934.7168 103.3694 -206248.5321 17795.3241 0.0000 0.0000 34225.6567 -149351.8832 298.9012 -183577.5398 -149249.5352 299.5014 101.5515 134.1827 556167.3394 -14.0776 -14.0138 PRESSURE: 2521600 68.0669 -36.8436 166.349 -36.8427 -161.294 91.6297 166.348 91.6304 -118.916 GPRESSURE: 2521600 38.5118 -38.7977 155.583 -104.322 -94.0127 131.833 156.741 105.653 -64.3676 PRESSAVG: 2521600 -17.5024 -12.5137 -20.3654 -12.5138 8.59932 61.1588 -20.3653 61.1589 -4.59215 GPRESSAVG: 2521600 -18.7494 -12.8463 -22.2537 -12.2217 9.83089 61.888 -19.26 61.3248 -4.71689 TIMING: 2521600 CPU: 7513.8, 0.00300177/step Wall: 7513.8, 0.00300177/step, 2.06655 hours remaining, 205.417969 MB of memory in use. ENERGY: 2521600 772.1264 2137.4107 1953.3852 110.7237 -206205.1684 17787.2163 0.0000 0.0000 34107.3851 -149336.9209 297.8683 -183444.3060 -149250.0138 299.2100 -70.7143 -39.9561 557777.0059 -4.4984 -4.5451 PRESSURE: 2521800 -172.18 -48.6384 -152.288 -48.6381 -20.6077 115.249 -152.29 115.249 -117.906 GPRESSURE: 2521800 -135.505 -26.903 -134.839 25.4439 26.0586 57.4973 -64.2506 199.818 -120.555 PRESSAVG: 2521800 20.5886 -18.3368 2.48582 -18.3368 -42.3578 29.4852 2.48584 29.4851 25.896 GPRESSAVG: 2521800 21.4778 -17.8489 3.99014 -18.7561 -43.2074 28.665 2.27111 30.4993 26.4787 TIMING: 2521800 CPU: 7514.4, 0.00301257/step Wall: 7514.4, 0.00301257/step, 2.07382 hours remaining, 205.417969 MB of memory in use. ENERGY: 2521800 734.4370 2175.1695 1943.7442 101.4662 -206216.0257 17684.4274 0.0000 0.0000 34231.5210 -149345.2603 298.9524 -183576.7813 -149253.4972 299.0429 -103.5647 -76.6671 558662.7450 1.3756 1.5830 PRESSURE: 2522000 110.02 70.5353 22.2231 70.5347 169.565 134.223 22.2229 134.223 161.32 GPRESSURE: 2522000 164.094 -54.7449 23.3109 176.028 178.171 121.933 138.872 164.917 187.738 PRESSAVG: 2522000 9.8912 -10.745 3.00355 -10.745 58.6994 121.4 3.00354 121.4 -68.6835 GPRESSAVG: 2522000 9.23022 -12.6879 4.41551 -10.9384 59.2818 124.326 2.81162 119.015 -69.0095 TIMING: 2522000 CPU: 7515, 0.00303242/step Wall: 7515, 0.00303242/step, 2.08732 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: 2522000 717.0778 2139.3096 1993.6109 112.6104 -206670.9267 18169.9302 0.0000 0.0000 34023.2175 -149515.1703 297.1332 -183538.3878 -149423.3566 298.7508 146.9682 176.6679 557914.6316 -0.0310 -0.1658 PRESSURE: 2522200 -180.335 91.7898 131.927 91.7894 -138.082 110.271 131.927 110.271 83.7637 GPRESSURE: 2522200 -62.8246 122.948 154.946 -32.5548 -159.254 98.8958 217.683 170.619 82.4958 PRESSAVG: 2522200 -19.1762 81.3538 96.8826 81.3538 34.0254 74.6643 96.8827 74.6643 -2.83416 GPRESSAVG: 2522200 -18.5814 84.7254 94.3097 79.8897 34.3747 74.5384 99.7234 75.3356 -3.79536 TIMING: 2522200 CPU: 7515.61, 0.00303465/step Wall: 7515.61, 0.00303465/step, 2.08868 hours remaining, 205.417969 MB of memory in use. ENERGY: 2522200 720.5141 2090.3967 1958.3269 133.3827 -206656.7763 17849.6172 0.0000 0.0000 34344.8777 -149559.6610 299.9424 -183904.5387 -149463.1865 298.7646 -78.2178 -46.5275 557509.0523 4.0050 3.9993 PRESSURE: 2522400 77.2495 -1.23013 134.217 -1.22977 22.5438 137.771 134.217 137.77 -47.4635 GPRESSURE: 2522400 78.0019 -24.3005 168.841 15.1848 110.313 95.1991 152.12 117.319 -35.3004 PRESSAVG: 2522400 -78.1237 -18.6464 32.1756 -18.6464 79.6019 11.5773 32.1756 11.5773 -11.6679 GPRESSAVG: 2522400 -78.7193 -19.7396 32.8766 -16.3832 79.0429 9.16928 29.9392 12.9409 -10.1416 TIMING: 2522400 CPU: 7516.21, 0.00300209/step Wall: 7516.21, 0.00300209/step, 2.0661 hours remaining, 205.417969 MB of memory in use. ENERGY: 2522400 730.1970 2094.5043 1959.5500 107.6723 -206776.3114 18099.3043 0.0000 0.0000 34174.5777 -149610.5058 298.4551 -183785.0835 -149513.7022 298.5433 17.4433 51.0050 557602.1894 -3.3966 -3.2726 PRESSURE: 2522600 14.6196 -65.5595 65.2804 -65.5584 -195.438 30.1478 65.2799 30.1464 350.728 GPRESSURE: 2522600 66.1098 4.03793 -19.7256 -130.007 -118.938 78.2079 104.278 11.9459 308.521 PRESSAVG: 2522600 -82.4158 -19.2525 4.96676 -19.2525 54.5141 -21.2111 4.96673 -21.211 40.471 GPRESSAVG: 2522600 -82.3774 -20.0105 6.48994 -19.733 55.1902 -19.7985 2.95219 -20.9135 39.6059 TIMING: 2522600 CPU: 7516.81, 0.00299957/step Wall: 7516.81, 0.00299957/step, 2.06421 hours remaining, 205.417969 MB of memory in use. ENERGY: 2522600 746.9205 2067.8411 1955.0045 107.9056 -206292.9376 17825.0281 0.0000 0.0000 34121.1050 -149469.1327 297.9881 -183590.2378 -149366.4451 298.6774 56.6364 85.2309 555556.0321 4.1898 4.1396 PRESSURE: 2522800 -42.0796 -73.0481 -126.513 -73.0471 -13.2084 9.7209 -126.511 9.71986 -242.969 GPRESSURE: 2522800 -16.8075 -106.22 -88.9336 -42.2224 31.2999 105.568 -138.672 14.705 -214.264 PRESSAVG: 2522800 38.4544 -33.9083 22.8697 -33.9083 -9.09465 36.811 22.8697 36.811 -16.4521 GPRESSAVG: 2522800 38.5642 -34.3524 23.6879 -33.5288 -9.93251 36.2499 23.1996 35.9085 -15.8345 TIMING: 2522800 CPU: 7517.41, 0.00298885/step Wall: 7517.41, 0.00298885/step, 2.05666 hours remaining, 205.417969 MB of memory in use. ENERGY: 2522800 733.0521 2115.8083 1956.0548 100.8477 -206100.4077 17570.7377 0.0000 0.0000 34117.6965 -149506.2107 297.9583 -183623.9071 -149410.9888 298.6094 -99.4189 -66.5905 555771.4261 4.3025 4.2657 PRESSURE: 2523000 -234.814 51.5107 15.3533 51.5114 96.8016 18.2334 15.3533 18.2325 -240.874 GPRESSURE: 2523000 -213.205 40.9645 50.2804 23.8229 85.9209 33.7592 -17.0347 8.78795 -166.324 PRESSAVG: 2523000 -39.5111 6.91556 -22.4814 6.91567 142.89 8.82674 -22.4814 8.82664 -71.3718 GPRESSAVG: 2523000 -40.4173 6.96531 -25.4756 4.35979 144.193 9.53237 -22.7257 8.75601 -71.9314 TIMING: 2523000 CPU: 7518, 0.00296944/step Wall: 7518, 0.00296944/step, 2.04314 hours remaining, 205.417969 MB of memory in use. ENERGY: 2523000 742.1138 2110.0845 1958.9832 130.0259 -206015.6715 17494.3389 0.0000 0.0000 34159.3510 -149420.7742 298.3221 -183580.1252 -149321.8115 299.2608 -126.2955 -97.8694 556244.7103 10.6692 10.6149 PRESSURE: 2523200 -248.989 -15.3059 56.1109 -15.3053 -251.708 -7.37435 56.1094 -7.37419 40.2405 GPRESSURE: 2523200 -225.066 -22.9773 99.4062 -9.80978 -233.086 -0.864937 59.1981 -11.9441 83.285 PRESSAVG: 2523200 -56.6263 -27.6108 -25.5489 -27.6108 29.7625 17.9444 -25.5489 17.9442 30.3967 GPRESSAVG: 2523200 -56.6361 -27.7782 -25.8402 -25.2751 29.7223 15.4678 -23.9294 20.5736 30.256 TIMING: 2523200 CPU: 7518.6, 0.00297046/step Wall: 7518.6, 0.00297046/step, 2.04368 hours remaining, 205.417969 MB of memory in use. ENERGY: 2523200 787.5288 2138.6068 1969.1692 111.0405 -206404.9248 17751.9438 0.0000 0.0000 34268.9474 -149377.6883 299.2792 -183646.6358 -149291.0519 298.7028 -153.4855 -124.9556 556211.6236 1.1776 1.1141 PRESSURE: 2523400 -308.324 -152.062 -80.0667 -152.061 -92.2632 146.263 -80.0652 146.263 -22.9443 GPRESSURE: 2523400 -266.652 -179.56 -146.044 -190.907 7.98141 152.161 -64.7767 161.723 -74.4672 PRESSAVG: 2523400 -34.6657 7.20258 -0.778051 7.2026 60.147 2.14258 -0.778123 2.14259 22.9476 GPRESSAVG: 2523400 -33.5641 8.39466 1.97905 5.39468 59.5826 3.73202 -1.81727 -0.363831 22.2509 TIMING: 2523400 CPU: 7519.2, 0.00298621/step Wall: 7519.2, 0.00298621/step, 2.05435 hours remaining, 205.417969 MB of memory in use. ENERGY: 2523400 758.9736 2063.6453 1951.7291 118.2702 -206203.9322 17571.5425 0.0000 0.0000 34346.5674 -149393.2041 299.9571 -183739.7715 -149287.4514 298.8524 -141.1772 -111.0458 556596.0555 16.1430 16.0898 PRESSURE: 2523600 83.114 97.3938 44.1464 97.3955 -19.4941 51.5401 44.1458 51.541 -35.21 GPRESSURE: 2523600 138.436 20.626 97.6699 176.951 11.8805 92.6028 1.28278 7.66148 -21.1065 PRESSAVG: 2523600 -12.855 24.0503 9.47887 24.0505 -46.4014 69.7071 9.47899 69.7071 30.0797 GPRESSAVG: 2523600 -13.1751 25.108 8.09029 25.3966 -46.3602 71.2093 10.0726 68.7225 29.6463 TIMING: 2523600 CPU: 7519.8, 0.00300353/step Wall: 7519.8, 0.00300353/step, 2.0661 hours remaining, 205.417969 MB of memory in use. ENERGY: 2523600 740.3869 2093.3880 1948.5950 109.6665 -206079.5391 17699.3294 0.0000 0.0000 34131.7256 -149356.4478 298.0808 -183488.1734 -149258.9136 299.8514 9.4700 43.0702 556820.4021 -9.7256 -9.9630 PRESSURE: 2523800 -156.157 -76.6281 91.5296 -76.6286 -63.1354 -93.9841 91.5297 -93.9849 -235.045 GPRESSURE: 2523800 -127.415 -29.594 144.881 -101.442 -95.6494 -43.0205 65.5178 -98.7185 -136.848 PRESSAVG: 2523800 9.87934 23.1579 39.8289 23.158 46.2945 -20.0308 39.8289 -20.0308 -84.0954 GPRESSAVG: 2523800 9.07378 22.7115 40.4163 22.0848 46.7477 -21.4019 39.9539 -17.823 -84.4407 TIMING: 2523800 CPU: 7520.4, 0.00299738/step Wall: 7520.4, 0.00299738/step, 2.0617 hours remaining, 205.417969 MB of memory in use. ENERGY: 2523800 774.8992 2145.5557 1965.2188 102.5141 -206188.5879 17606.7697 0.0000 0.0000 34354.4114 -149239.2190 300.0256 -183593.6304 -149138.8919 299.6385 -151.4457 -119.9711 556971.7833 -9.3072 -9.5398 PRESSURE: 2524000 51.3182 -52.6879 73.8431 -52.6865 107.965 -35.2782 73.843 -35.2775 60.5612 GPRESSURE: 2524000 97.9492 -49.7527 57.5046 -77.4826 169.681 -9.47732 146.029 -59.5895 55.7593 PRESSAVG: 2524000 35.2034 -9.53142 80.2212 -9.53143 31.7851 21.2766 80.2212 21.2766 -39.7027 GPRESSAVG: 2524000 36.0308 -10.102 79.6423 -6.94274 29.516 19.8957 81.4796 23.2292 -38.4449 TIMING: 2524000 CPU: 7520.99, 0.00298547/step Wall: 7520.99, 0.00298547/step, 2.05334 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: 2524000 746.7788 2116.8431 1962.1948 128.0437 -206477.6589 17927.2568 0.0000 0.0000 34170.4731 -149426.0685 298.4192 -183596.5416 -149320.8519 299.4395 73.2816 107.7965 558185.5664 9.0953 9.0340 PRESSURE: 2524200 294.377 102.207 198.991 102.207 148.679 -93.6646 198.99 -93.6649 66.8341 GPRESSURE: 2524200 225.124 12.144 206.208 42.1575 198.975 -142.603 132.908 8.89103 180.454 PRESSAVG: 2524200 47.4951 -9.17589 47.9807 -9.17587 -21.9627 -17.2167 47.9807 -17.2168 -2.96399 GPRESSAVG: 2524200 46.4603 -9.79747 46.9435 -8.78234 -20.1697 -15.4032 48.1751 -19.9349 -4.19493 TIMING: 2524200 CPU: 7521.59, 0.00300669/step Wall: 7521.59, 0.00300669/step, 2.06777 hours remaining, 205.417969 MB of memory in use. ENERGY: 2524200 718.8093 2090.6383 1975.5855 113.1064 -206922.9923 18222.3671 0.0000 0.0000 34323.1563 -149479.3295 299.7527 -183802.4858 -149388.5990 299.1147 169.9633 201.5175 555462.7664 7.5228 7.3652 LDB: ============= START OF LOAD BALANCING ============== 7525.03 LDB: ============== END OF LOAD BALANCING =============== 7525.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7525.03 LDB: ============= START OF LOAD BALANCING ============== 7525.33 LDB: Largest compute 4849 load 0.025362 is 21.5% of average load 0.118064 LDB: Average compute 0.001719 is 1.5% of average load 0.118064 LDB: TIME 7525.33 LOAD: AVG 0.118064 MAX 0.205717 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 7525.33 LOAD: AVG 0.118064 MAX 0.205717 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: TIME 7525.33 LOAD: AVG 0.118064 MAX 0.205717 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7525.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7525.34 PRESSURE: 2524400 -208.021 -4.10888 20.6394 -4.10799 140.448 -12.0085 20.6397 -12.0088 -43.2527 GPRESSURE: 2524400 -176.572 -3.87979 94.0801 23.7484 130.327 -31.9917 -19.1081 -24.6644 47.7052 PRESSAVG: 2524400 36.8442 -23.8112 99.4681 -23.8112 -35.891 16.4699 99.4682 16.4699 -1.4866 GPRESSAVG: 2524400 36.8914 -23.9805 101.278 -24.5873 -35.9191 14.9188 97.9585 18.1034 -1.42974 TIMING: 2524400 CPU: 7522.21, 0.00306845/step Wall: 7522.21, 0.00306845/step, 2.11007 hours remaining, 206.058594 MB of memory in use. ENERGY: 2524400 722.2601 2084.7593 1945.5848 118.9954 -206382.7155 17879.0401 0.0000 0.0000 34157.3021 -149474.7738 298.3042 -183632.0759 -149377.9330 298.6602 -36.9418 0.4866 558020.9665 -0.1778 -0.1525 PRESSURE: 2524600 165.654 -47.1616 81.2208 -47.1632 -85.7457 44.7791 81.221 44.7796 87.8814 GPRESSURE: 2524600 151.889 -56.283 227.841 4.72947 -8.22851 43.279 -77.6481 62.2363 120.707 PRESSAVG: 2524600 26.0621 13.757 51.1509 13.757 -88.5363 37.5219 51.1508 37.5218 38.8074 GPRESSAVG: 2524600 25.9414 16.26 49.3995 13.5668 -90.1024 38.3113 50.1817 36.5226 39.9895 TIMING: 2524600 CPU: 7522.81, 0.00301563/step Wall: 7522.81, 0.00301563/step, 2.07358 hours remaining, 206.058594 MB of memory in use. ENERGY: 2524600 706.0500 2135.5780 1938.0561 106.2010 -206711.1482 18099.5917 0.0000 0.0000 34227.4353 -149498.2361 298.9167 -183725.6714 -149393.4868 298.5725 55.9297 88.1224 558230.7326 -7.8889 -8.0572 PRESSURE: 2524800 -39.096 -76.0854 167.896 -76.0866 -121.351 -19.2368 167.896 -19.2363 86.0431 GPRESSURE: 2524800 -43.8223 -80.6971 132.177 -110.699 -91.8156 0.39414 86.1866 -24.226 145.825 PRESSAVG: 2524800 44.3028 13.8035 9.85631 13.8035 -83.5194 -57.296 9.85619 -57.296 78.3257 GPRESSAVG: 2524800 44.7637 11.5944 9.88743 11.9874 -82.1054 -58.2451 10.9297 -55.6086 75.9199 TIMING: 2524800 CPU: 7523.41, 0.00301577/step Wall: 7523.41, 0.00301577/step, 2.07351 hours remaining, 206.058594 MB of memory in use. ENERGY: 2524800 731.1871 2066.0899 1941.8152 118.9489 -206346.9304 17908.7262 0.0000 0.0000 34310.2893 -149269.8739 299.6403 -183580.1631 -149180.2530 299.3333 -24.8012 3.3958 558131.5029 13.0364 12.8594 PRESSURE: 2525000 -211.452 10.4669 0.316615 10.4668 135.052 -23.8731 0.316172 -23.8723 26.4131 GPRESSURE: 2525000 -155.084 -8.26915 -31.1832 6.45548 153.137 -28.506 -17.9743 26.3602 57.3838 PRESSAVG: 2525000 -50.928 0.4265 14.3116 0.426479 -33.8078 -60.7205 14.3116 -60.7205 -1.66441 GPRESSAVG: 2525000 -51.0471 -0.78374 14.2771 1.60468 -34.786 -60.5345 15.8898 -61.4546 -0.784874 TIMING: 2525000 CPU: 7524.02, 0.00304518/step Wall: 7524.02, 0.00304518/step, 2.09356 hours remaining, 206.058594 MB of memory in use. ENERGY: 2525000 737.5679 2065.3980 1941.4403 116.0646 -206279.3145 17803.3461 0.0000 0.0000 34285.4416 -149330.0560 299.4233 -183615.4976 -149229.1569 298.4501 -16.6625 18.4792 556741.8585 -28.8001 -28.8727 PRESSURE: 2525200 -48.4896 29.2689 106.728 29.2703 -131.858 159.876 106.728 159.876 -152.614 GPRESSURE: 2525200 -36.9952 42.6724 106.424 80.0268 -95.5458 156.286 33.7061 96.1723 -91.0402 PRESSAVG: 2525200 46.5859 -7.15108 16.6784 -7.15104 23.8328 -11.8211 16.6785 -11.8211 -43.629 GPRESSAVG: 2525200 46.1554 -6.13035 16.3703 -7.81957 24.4557 -11.4855 16.5227 -12.4955 -43.7709 TIMING: 2525200 CPU: 7524.63, 0.0030199/step Wall: 7524.63, 0.0030199/step, 2.07601 hours remaining, 206.058594 MB of memory in use. ENERGY: 2525200 736.1611 2091.8260 1979.1286 119.8332 -205913.4864 17555.6753 0.0000 0.0000 34092.9367 -149337.9255 297.7421 -183430.8622 -149247.0993 298.8710 -110.9870 -74.5271 555841.0666 8.9299 8.9467 PRESSURE: 2525400 -404.985 1.7049 86.8383 1.70273 -206.94 -104.999 86.8378 -104.999 -347.533 GPRESSURE: 2525400 -407.241 -60.9078 29.1208 19.093 -159.182 -5.02932 65.0131 -136.953 -294.815 PRESSAVG: 2525400 96.3512 7.49812 -32.3135 7.49804 -1.12069 21.7514 -32.3135 21.7513 -57.6024 GPRESSAVG: 2525400 96.594 7.7371 -31.7227 9.0993 -1.8198 22.1149 -33.4789 20.7033 -57.5409 TIMING: 2525400 CPU: 7525.23, 0.00302939/step Wall: 7525.23, 0.00302939/step, 2.08237 hours remaining, 206.058594 MB of memory in use. ENERGY: 2525400 780.2769 2080.8054 1954.4028 120.1701 -205903.9338 17370.9274 0.0000 0.0000 34323.6015 -149273.7497 299.7565 -183597.3512 -149176.7837 299.0370 -319.8192 -287.0798 556596.7810 12.5427 12.4111 PRESSURE: 2525600 92.5615 154.013 98.18 154.013 79.6304 73.211 98.1814 73.2081 -135.009 GPRESSURE: 2525600 127.715 224.031 135.041 87.9668 44.8914 96.0701 40.2837 66.4069 -29.3963 PRESSAVG: 2525600 75.8612 0.727126 -74.1392 0.727082 -55.6906 -35.4269 -74.1392 -35.4269 -36.1954 GPRESSAVG: 2525600 76.3704 0.613583 -74.3686 0.896739 -57.3701 -38.2173 -73.4888 -33.0061 -35.1752 TIMING: 2525600 CPU: 7525.84, 0.00303128/step Wall: 7525.84, 0.00303128/step, 2.0835 hours remaining, 206.058594 MB of memory in use. ENERGY: 2525600 740.6890 2130.1886 1982.1730 107.1592 -206251.2067 17805.1123 0.0000 0.0000 34364.4391 -149121.4455 300.1132 -183485.8846 -149026.2356 299.5430 12.3944 47.7368 556426.4898 -5.3416 -5.3916 PRESSURE: 2525800 105.61 -140.613 95.6782 -140.614 -125.947 110.95 95.677 110.95 9.61826 GPRESSURE: 2525800 122.579 -153.848 177.63 -129.371 -51.9586 48.2804 69.1027 114.832 18.7416 PRESSAVG: 2525800 33.3413 -35.8727 8.69433 -35.8727 -9.83748 23.4141 8.69419 23.4142 -39.3435 GPRESSAVG: 2525800 32.8577 -37.2045 9.93855 -35.3398 -8.09733 25.2278 8.59428 21.405 -40.396 TIMING: 2525800 CPU: 7526.44, 0.00299672/step Wall: 7526.44, 0.00299672/step, 2.05958 hours remaining, 206.058594 MB of memory in use. ENERGY: 2525800 763.0878 2127.4824 1969.3105 110.7002 -206474.0824 17895.2976 0.0000 0.0000 34360.5283 -149247.6756 300.0790 -183608.2039 -149150.2255 300.0101 -3.5729 29.7873 556518.3262 -5.2799 -5.2119 PRESSURE: 2526000 -74.2032 -33.8978 103.542 -33.8967 64.8515 108.828 103.542 108.828 -36.3387 GPRESSURE: 2526000 -74.4653 62.879 60.8215 -57.5582 131.629 84.6534 160.369 80.1268 -13.6906 PRESSAVG: 2526000 13.3483 -3.85484 -22.395 -3.85475 4.00071 2.45413 -22.3951 2.45417 14.5759 GPRESSAVG: 2526000 12.7281 -1.14908 -24.3431 -3.98158 4.19388 4.71796 -21.0073 2.49611 14.2347 TIMING: 2526000 CPU: 7527.03, 0.00298144/step Wall: 7527.03, 0.00298144/step, 2.04891 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: 2526000 746.6559 2101.0267 1952.4444 109.6453 -206231.7720 17725.1547 0.0000 0.0000 34231.1136 -149365.7314 298.9488 -183596.8450 -149274.5033 299.7665 -15.2301 14.4911 556622.0742 10.6417 10.3856 PRESSURE: 2526200 144.748 105.981 32.577 105.981 62.0343 -114.189 32.5784 -114.191 80.7361 GPRESSURE: 2526200 143.723 174.137 32.9181 20.3338 79.6589 -81.3586 47.0986 -119.843 157.777 PRESSAVG: 2526200 25.1863 -23.5164 14.1852 -23.5164 20.9985 -11.4735 14.1852 -11.4734 -46.6253 GPRESSAVG: 2526200 25.7897 -24.6731 17.3411 -24.768 19.8312 -14.0072 11.7218 -9.71402 -46.611 TIMING: 2526200 CPU: 7527.63, 0.00297019/step Wall: 7527.63, 0.00297019/step, 2.04102 hours remaining, 206.058594 MB of memory in use. ENERGY: 2526200 754.1813 2039.1392 1958.2955 118.9155 -206315.1609 17914.6852 0.0000 0.0000 34109.2033 -149420.7409 297.8842 -183529.9443 -149335.7835 299.0754 95.8395 127.0528 557134.0845 -0.1468 -0.3300 PRESSURE: 2526400 -134.128 153.383 16.3919 153.385 -87.9559 -95.2629 16.3917 -95.2626 188.716 GPRESSURE: 2526400 -113.348 44.9564 -71.5397 157.002 -21.3702 -36.6816 55.6347 -131.81 200.895 PRESSAVG: 2526400 -71.0078 6.09446 6.27544 6.0945 15.5664 17.852 6.27547 17.8519 35.6522 GPRESSAVG: 2526400 -71.9374 5.53873 3.97852 5.49076 15.8103 18.3708 7.93065 17.0425 35.9657 TIMING: 2526400 CPU: 7528.23, 0.00301471/step Wall: 7528.23, 0.00301471/step, 2.07144 hours remaining, 206.058594 MB of memory in use. ENERGY: 2526400 743.6434 2116.7122 1941.7584 117.7751 -206353.4217 17923.9858 0.0000 0.0000 34288.1377 -149221.4091 299.4468 -183509.5468 -149121.4402 298.9473 -11.1227 22.0590 557787.4332 -6.5964 -6.7204 PRESSURE: 2526600 -327.457 -261.968 195.496 -261.967 -266.342 72.3102 195.496 72.3099 34.8769 GPRESSURE: 2526600 -225.846 -284.63 167.205 -133.472 -226.222 27.6983 203.546 84.9512 -19.9801 PRESSAVG: 2526600 -4.81265 -32.5488 -25.0154 -32.5488 -22.0529 40.3631 -25.0154 40.3631 -18.2098 GPRESSAVG: 2526600 -2.72753 -31.9621 -26.5471 -32.0121 -22.5161 41.5467 -24.8385 40.0602 -19.2003 TIMING: 2526600 CPU: 7528.83, 0.00300048/step Wall: 7528.83, 0.00300048/step, 2.0615 hours remaining, 206.058594 MB of memory in use. ENERGY: 2526600 743.9787 2088.4372 1958.3738 118.0678 -206150.5559 17515.6045 0.0000 0.0000 34536.6899 -149189.4040 301.6175 -183726.0939 -149091.7517 299.4559 -186.3076 -157.3492 557421.3621 -15.0251 -14.8147 PRESSURE: 2526800 -21.6687 32.8545 -15.8113 32.8544 153.542 -174.639 -15.8111 -174.638 -55.0133 GPRESSURE: 2526800 23.5679 49.9003 68.1183 -4.57206 198.532 -192.818 -53.9897 -238.072 -30.1356 PRESSAVG: 2526800 -88.03 -21.1758 -12.8564 -21.1758 60.4217 28.4245 -12.8564 28.4245 18.7813 GPRESSAVG: 2526800 -89.69 -20.5424 -9.12446 -23.5033 61.2776 27.9879 -15.5576 28.531 19.4561 TIMING: 2526800 CPU: 7529.43, 0.00300853/step Wall: 7529.43, 0.00300853/step, 2.06686 hours remaining, 206.058594 MB of memory in use. ENERGY: 2526800 798.2107 2018.0221 1966.8602 113.3411 -206317.8590 17867.9243 0.0000 0.0000 34355.7968 -149197.7039 300.0377 -183553.5007 -149098.2754 298.9638 25.6201 63.9880 556972.2510 -2.9423 -2.9854 PRESSURE: 2527000 101.665 -15.7962 136.459 -15.7955 -72.2598 -107.386 136.459 -107.384 115.936 GPRESSURE: 2527000 115.511 20.2289 147.911 -178.309 -2.62891 -134.197 146.475 -37.1076 124.924 PRESSAVG: 2527000 -48.6815 -20.2842 29.3483 -20.2842 37.2926 25.3732 29.3484 25.373 3.08372 GPRESSAVG: 2527000 -48.3205 -21.5801 25.7131 -20.6036 35.906 26.3923 30.9486 25.43 3.46904 TIMING: 2527000 CPU: 7530.03, 0.00299982/step Wall: 7530.03, 0.00299982/step, 2.06071 hours remaining, 206.058594 MB of memory in use. ENERGY: 2527000 729.5028 2154.1634 1952.7776 116.0102 -206284.1038 17887.3955 0.0000 0.0000 34438.3267 -149005.9278 300.7585 -183444.2544 -148910.8587 299.0407 48.4472 79.2687 557265.0761 -2.7684 -2.9818 PRESSURE: 2527200 129.306 2.76237 -117.523 2.76262 23.1576 -8.82146 -117.521 -8.82026 -30.4393 GPRESSURE: 2527200 143.559 11.9825 0.130525 -6.02467 74.0692 -96.2133 -258.561 41.3347 2.094 PRESSAVG: 2527200 40.3825 -14.2066 -17.1369 -14.2065 45.091 -32.5276 -17.1369 -32.5277 -97.8583 GPRESSAVG: 2527200 39.5481 -15.2322 -14.9018 -12.7197 44.9377 -32.7952 -18.0981 -31.4884 -97.1911 TIMING: 2527200 CPU: 7530.63, 0.00298572/step Wall: 7530.63, 0.00298572/step, 2.05085 hours remaining, 206.058594 MB of memory in use. ENERGY: 2527200 755.5981 2035.8001 1964.2616 118.9984 -206439.4032 18059.1879 0.0000 0.0000 34291.7021 -149213.8550 299.4780 -183505.5571 -149120.8296 299.4805 40.6749 73.2407 557577.3459 -4.1283 -4.2351 PRESSURE: 2527400 -88.2315 78.7615 -2.24656 78.7608 73.8286 101.62 -2.24712 101.619 148.236 GPRESSURE: 2527400 -89.2638 29.6346 -17.4326 117.082 166.722 141.98 63.0143 120.014 152.73 PRESSAVG: 2527400 -34.0295 -37.1606 61.876 -37.1607 83.1215 -38.6841 61.8759 -38.6842 -8.79741 GPRESSAVG: 2527400 -34.6679 -37.6915 61.1409 -37.3544 84.2367 -40.1999 62.6578 -38.9706 -8.23883 TIMING: 2527400 CPU: 7531.23, 0.00299755/step Wall: 7531.23, 0.00299756/step, 2.05882 hours remaining, 206.058594 MB of memory in use. ENERGY: 2527400 702.1928 2069.0114 1961.8643 113.0095 -206046.4896 17784.3442 0.0000 0.0000 34392.3120 -149023.7555 300.3566 -183416.0675 -148929.6611 299.4501 44.6111 76.7293 557352.9250 13.4315 13.7767 PRESSURE: 2527600 325.885 191.374 -6.36153 191.375 9.82289 -17.6037 -6.36245 -17.6018 146.046 GPRESSURE: 2527600 395.756 176.603 -21.4852 215.3 -5.66325 -52.7806 29.9694 -22.5164 182.893 PRESSAVG: 2527600 18.2826 -18.8381 12.4435 -18.8381 -25.1102 12.9479 12.4434 12.948 16.9522 GPRESSAVG: 2527600 19.8492 -16.7851 10.8244 -19.7212 -25.5735 14.5363 12.5924 12.0024 15.911 TIMING: 2527600 CPU: 7531.83, 0.00298182/step Wall: 7531.83, 0.00298182/step, 2.04785 hours remaining, 206.058594 MB of memory in use. ENERGY: 2527600 715.1083 2124.4368 1940.2967 112.0883 -205984.3992 17814.4640 0.0000 0.0000 34324.6541 -148953.3509 299.7657 -183278.0050 -148859.4945 299.8709 160.5848 190.9955 556926.2069 3.3749 3.3956 PRESSURE: 2527800 -249.475 -45.3896 -104.338 -45.3894 -200.705 25.926 -104.339 25.9254 -63.7958 GPRESSURE: 2527800 -209.705 -60.5741 -22.5131 -21.9237 -131.138 -31.0734 -153.186 27.1886 -72.181 PRESSAVG: 2527800 71.7944 53.7076 -20.9938 53.7076 -4.39426 34.3382 -20.9938 34.3381 -32.8916 GPRESSAVG: 2527800 71.4383 55.198 -20.2504 52.6296 -3.88868 34.27 -20.3123 32.9677 -32.9058 TIMING: 2527800 CPU: 7532.43, 0.00300557/step Wall: 7532.43, 0.00300557/step, 2.06399 hours remaining, 206.058594 MB of memory in use. ENERGY: 2527800 751.3127 2058.1079 1969.1926 113.3778 -205339.7100 17373.3886 0.0000 0.0000 33960.1654 -149114.1650 296.5826 -183074.3304 -149021.4198 299.2230 -171.3255 -137.6749 558840.5565 11.5028 11.5479 PRESSURE: 2528000 12.7586 -31.093 3.53255 -31.0927 -156.215 -177.808 3.53269 -177.81 63.0684 GPRESSURE: 2528000 49.1256 -66.2216 -77.8861 91.6413 -77.7189 -134.662 32.7184 -128.315 48.0037 PRESSAVG: 2528000 43.2898 53.1649 -28.3249 53.1649 -64.5563 -60.0269 -28.3249 -60.027 -15.4487 GPRESSAVG: 2528000 42.9511 50.0992 -27.1681 57.6166 -65.1251 -60.3926 -28.1599 -60.2868 -14.6029 TIMING: 2528000 CPU: 7533.04, 0.00304306/step Wall: 7533.04, 0.00304306/step, 2.08957 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: 2528000 733.9596 2145.6620 1959.6523 113.6535 -206154.5115 17865.8241 0.0000 0.0000 34377.2498 -148958.5103 300.2251 -183335.7600 -148865.6509 299.5901 -26.7961 6.4701 557505.1884 -12.2384 -12.2590 PRESSURE: 2528200 -292.488 -28.0418 37.0697 -28.0425 112.876 -198.527 37.0701 -198.529 -136.021 GPRESSURE: 2528200 -268.611 -19.9248 75.5821 21.3042 162.231 -220.422 -24.0486 -207.503 -107.975 PRESSAVG: 2528200 85.1377 17.9473 11.7804 17.9472 -60.5097 0.37666 11.7805 0.376557 -40.1635 GPRESSAVG: 2528200 85.0328 19.8105 11.7089 13.7811 -60.3249 1.5603 10.3116 2.09882 -40.0819 TIMING: 2528200 CPU: 7533.64, 0.00302743/step Wall: 7533.64, 0.00302743/step, 2.07867 hours remaining, 206.058594 MB of memory in use. ENERGY: 2528200 745.0044 2081.2304 1956.4144 118.0515 -206198.1676 17549.0119 0.0000 0.0000 34609.5731 -149138.8819 302.2540 -183748.4549 -149036.3918 300.6298 -105.2110 -71.4519 558057.6391 -5.1785 -5.1246 LDB: ============= START OF LOAD BALANCING ============== 7537.07 LDB: ============== END OF LOAD BALANCING =============== 7537.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7537.07 LDB: ============= START OF LOAD BALANCING ============== 7537.37 LDB: Largest compute 4849 load 0.027431 is 23.2% of average load 0.118087 LDB: Average compute 0.001722 is 1.5% of average load 0.118087 LDB: TIME 7537.38 LOAD: AVG 0.118087 MAX 0.204702 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.348 MB LDB: TIME 7537.38 LOAD: AVG 0.118087 MAX 0.204702 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.352 MB LDB: TIME 7537.38 LOAD: AVG 0.118087 MAX 0.204702 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.352 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7537.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7537.38 PRESSURE: 2528400 -44.7959 67.6227 95.6636 67.6217 -53.5669 13.1068 95.6627 13.1064 90.9439 GPRESSURE: 2528400 -36.2334 59.4333 91.279 46.1242 -16.0654 35.5722 102.639 66.1544 129.185 PRESSAVG: 2528400 64.3216 -6.53802 -52.2467 -6.53802 -16.4508 -17.9527 -52.2467 -17.9527 -38.4349 GPRESSAVG: 2528400 64.81 -8.77012 -53.6828 -5.77674 -15.4748 -20.8179 -51.685 -15.8431 -39.6604 TIMING: 2528400 CPU: 7534.25, 0.00305789/step Wall: 7534.25, 0.00305789/step, 2.09941 hours remaining, 207.347656 MB of memory in use. ENERGY: 2528400 775.3860 2076.4975 1969.8866 111.6773 -206498.9617 17966.0508 0.0000 0.0000 34360.0058 -149239.4577 300.0745 -183599.4634 -149147.4674 299.7743 -2.4730 25.6286 558451.1365 3.1453 3.2250 PRESSURE: 2528600 42.9508 42.5403 -47.8951 42.5396 246.873 -123.94 -47.8943 -123.94 60.7725 GPRESSURE: 2528600 81.1754 130.2 22.4993 21.6333 241.7 -131.234 -68.7155 -157.406 119.662 PRESSAVG: 2528600 38.2757 -25.9927 53.1096 -25.9928 -51.3452 16.5459 53.1096 16.5458 8.89669 GPRESSAVG: 2528600 37.951 -25.1381 54.1949 -26.6842 -51.1762 20.4332 52.1675 11.1332 9.24127 TIMING: 2528600 CPU: 7534.85, 0.00299271/step Wall: 7534.85, 0.00299271/step, 2.05449 hours remaining, 207.550781 MB of memory in use. ENERGY: 2528600 720.6391 2135.5753 1968.9217 116.2743 -206298.2282 17921.5509 0.0000 0.0000 34083.9271 -149351.3397 297.6634 -183435.2668 -149256.8759 299.1888 116.8655 147.5125 557771.9878 -1.3909 -1.3280 PRESSURE: 2528800 27.7872 55.6167 -105.816 55.6166 113.154 -113.763 -105.815 -113.762 -79.4678 GPRESSURE: 2528800 39.1519 86.9581 -98.0809 31.1255 171.375 -119.864 -148.758 -40.7246 -37.9827 PRESSAVG: 2528800 5.55456 -1.94205 8.83441 -1.94204 63.1551 -1.29388 8.83435 -1.29377 -16.21 GPRESSAVG: 2528800 6.26215 -1.1899 11.0934 -0.617351 62.9089 -4.27776 10.4672 3.73567 -15.9921 TIMING: 2528800 CPU: 7535.45, 0.00299191/step Wall: 7535.45, 0.00299191/step, 2.05378 hours remaining, 207.550781 MB of memory in use. ENERGY: 2528800 720.9306 2059.2173 1954.3775 117.3453 -206580.3422 17920.7980 0.0000 0.0000 34429.0926 -149378.5810 300.6778 -183807.6736 -149284.4167 298.4910 20.4910 57.5148 557030.9418 17.4999 17.7263 PRESSURE: 2529000 66.9844 9.00233 -155.746 9.00214 -130.382 51.4099 -155.745 51.4107 -137.09 GPRESSURE: 2529000 122.121 -80.8524 -203.959 110.795 -108.495 115.76 -101.507 79.7189 -126.061 PRESSAVG: 2529000 36.1903 -13.0738 50.7157 -13.0739 -51.345 23.3289 50.7157 23.3289 31.3365 GPRESSAVG: 2529000 35.9964 -14.5352 47.5247 -12.7671 -51.0859 25.9219 49.8352 21.1437 31.591 TIMING: 2529000 CPU: 7536.05, 0.00301752/step Wall: 7536.05, 0.00301752/step, 2.07119 hours remaining, 207.550781 MB of memory in use. ENERGY: 2529000 756.6416 2080.7513 1951.4352 106.7709 -205887.8605 17534.4007 0.0000 0.0000 34121.1334 -149336.7276 297.9883 -183457.8609 -149233.0773 298.9746 -66.8291 -37.4782 556619.6531 5.3939 5.5005 PRESSURE: 2529200 -176.303 101.129 -22.2349 101.129 142.582 -39.7669 -22.2349 -39.7665 -198.128 GPRESSURE: 2529200 -150.359 117.138 10.5355 78.3761 166.705 -53.1209 -126.36 -55.5495 -155.47 PRESSAVG: 2529200 58.1319 -17.602 -40.6409 -17.6019 60.9395 -5.10977 -40.6408 -5.1099 -54.1064 GPRESSAVG: 2529200 58.0968 -15.9894 -42.5952 -18.6716 60.5292 -6.38241 -40.1147 -3.99077 -54.3053 TIMING: 2529200 CPU: 7536.66, 0.00301562/step Wall: 7536.66, 0.00301562/step, 2.06972 hours remaining, 207.550781 MB of memory in use. ENERGY: 2529200 764.4184 2044.6185 1987.6678 104.2757 -205838.2985 17570.9134 0.0000 0.0000 33913.9017 -149452.5029 296.1785 -183366.4046 -149355.5641 298.8652 -77.2832 -46.3746 556306.6507 21.6550 21.4402 PRESSURE: 2529400 -113.344 64.3978 -69.7736 64.3981 140.655 93.4398 -69.7736 93.4416 -77.7354 GPRESSURE: 2529400 -90.8332 -25.4837 -149.167 48.7141 228.332 102.243 -37.0635 85.561 -95.0323 PRESSAVG: 2529400 31.5516 -3.35474 -4.96021 -3.35475 -5.80404 -22.5061 -4.96021 -22.506 -33.3895 GPRESSAVG: 2529400 32.1095 -4.29631 -2.35551 -2.60931 -5.61417 -24.6324 -5.53665 -22.2005 -33.3691 TIMING: 2529400 CPU: 7537.25, 0.00298142/step Wall: 7537.25, 0.00298142/step, 2.04608 hours remaining, 207.550781 MB of memory in use. ENERGY: 2529400 730.4371 2091.6114 1959.7433 111.2154 -206325.4511 17722.9433 0.0000 0.0000 34404.2561 -149305.2446 300.4609 -183709.5007 -149213.3512 298.2397 -16.8082 14.1555 555844.3095 -2.5473 -2.2913 PRESSURE: 2529600 -213.657 -169.929 -41.8055 -169.929 -158.827 23.9097 -41.8054 23.9106 -227.552 GPRESSURE: 2529600 -208.787 -123.391 -11.0367 -112.52 -121.481 -91.3127 -36.8911 48.6835 -162.119 PRESSAVG: 2529600 -8.06012 -30.9972 -74.9432 -30.9972 31.282 -44.7494 -74.9433 -44.7494 8.11207 GPRESSAVG: 2529600 -7.78384 -31.0745 -72.4208 -28.1942 30.2934 -41.7525 -76.9749 -46.6171 9.16012 TIMING: 2529600 CPU: 7537.85, 0.00298228/step Wall: 7537.85, 0.00298228/step, 2.04651 hours remaining, 207.550781 MB of memory in use. ENERGY: 2529600 779.3532 2056.1029 1959.5033 108.4070 -206201.7093 17532.0475 0.0000 0.0000 34483.4723 -149282.8231 301.1527 -183766.2954 -149181.4931 299.6455 -200.0116 -164.1291 558359.6539 10.4447 10.5566 PRESSURE: 2529800 -34.8154 147.687 -32.6054 147.687 102.945 -79.0086 -32.6049 -79.0065 184.237 GPRESSURE: 2529800 -27.3822 116.194 -52.6194 191.044 134.945 -105.837 -46.6042 -63.7466 241.947 PRESSAVG: 2529800 -13.7233 -7.01621 -72.0798 -7.0163 -10.9623 -53.3896 -72.0797 -53.3898 -14.736 GPRESSAVG: 2529800 -14.0591 -6.86398 -76.4072 -8.0211 -10.4298 -54.1741 -69.0304 -53.3663 -14.6773 TIMING: 2529800 CPU: 7538.45, 0.00301092/step Wall: 7538.45, 0.00301092/step, 2.06599 hours remaining, 207.550781 MB of memory in use. ENERGY: 2529800 709.2411 2096.4590 1937.1855 100.5047 -206444.3894 18020.4674 0.0000 0.0000 34115.2199 -149465.3117 297.9367 -183580.5317 -149368.6834 299.1378 84.1221 116.5033 557599.8304 -13.1406 -13.0554 PRESSURE: 2530000 -182.097 -106.566 -249.826 -106.565 -17.0324 -114.259 -249.826 -114.26 -292.667 GPRESSURE: 2530000 -131.46 -53.5453 -284.853 -89.9419 -23.525 -176.551 -104.885 -91.754 -246.66 PRESSAVG: 2530000 -33.127 -25.707 4.42708 -25.7069 29.4343 -9.70869 4.42708 -9.70863 10.8564 GPRESSAVG: 2530000 -32.3988 -24.4213 6.44292 -26.37 28.0642 -11.6271 4.16728 -7.61216 11.1626 TIMING: 2530000 CPU: 7539.06, 0.00302481/step Wall: 7539.06, 0.00302481/step, 2.07536 hours remaining, 207.550781 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: 2530000 767.8149 2060.4114 1956.9888 118.0765 -206064.0936 17554.3090 0.0000 0.0000 34234.7784 -149371.7146 298.9808 -183606.4930 -149279.7632 298.8702 -163.9320 -133.8818 557242.5086 2.3879 2.2760 PRESSURE: 2530200 -102.026 17.7558 231.879 17.7559 -76.7986 -130.304 231.88 -130.303 -166.825 GPRESSURE: 2530200 -55.1073 63.7995 205.492 -84.5733 -56.3075 -135.575 197.559 -151.061 -136.581 PRESSAVG: 2530200 -40.8581 49.4888 12.6064 49.4889 31.1305 -25.0091 12.6065 -25.0092 16.6718 GPRESSAVG: 2530200 -41.6547 47.1232 11.8255 50.6023 31.5817 -22.9005 13.0563 -27.0058 16.415 TIMING: 2530200 CPU: 7539.66, 0.0030319/step Wall: 7539.66, 0.0030319/step, 2.08005 hours remaining, 207.550781 MB of memory in use. ENERGY: 2530200 734.1437 2098.8196 1942.0803 102.1795 -206136.0587 17675.4471 0.0000 0.0000 34143.9605 -149439.4280 298.1877 -183583.3885 -149346.2866 298.7248 -115.2163 -82.6652 558358.0249 2.3147 2.1140 PRESSURE: 2530400 47.3685 23.6567 123.118 23.656 -109.537 92.5207 123.117 92.5206 -6.58208 GPRESSURE: 2530400 111.742 -7.68543 136.633 29.7199 -77.1326 28.0502 137.176 59.6277 -7.87617 PRESSAVG: 2530400 14.3044 -8.95247 45.0112 -8.95251 33.5868 -19.237 45.0112 -19.237 5.96276 GPRESSAVG: 2530400 14.491 -5.67572 45.6653 -8.38138 34.0924 -20.1054 43.6568 -17.1498 5.27061 TIMING: 2530400 CPU: 7540.26, 0.00300727/step Wall: 7540.26, 0.00300727/step, 2.06299 hours remaining, 207.671875 MB of memory in use. ENERGY: 2530400 755.7834 2054.6351 1971.1853 120.5293 -206549.0535 17803.9576 0.0000 0.0000 34353.5770 -149489.3859 300.0183 -183842.9629 -149399.9774 298.4379 -22.9168 8.9110 556769.3277 17.9513 17.9513 PRESSURE: 2530600 41.5561 -252.793 108.485 -252.792 -85.5228 -97.989 108.484 -97.9893 117 GPRESSURE: 2530600 101.07 -173.098 142.742 -264.429 -76.5715 -85.2226 142.891 -147.634 155.217 PRESSAVG: 2530600 -35.2988 -37.1336 65.0595 -37.1335 23 -3.79333 65.0595 -3.79336 8.86446 GPRESSAVG: 2530600 -34.8044 -37.6498 64.6856 -38.8056 22.3961 -1.82984 67.001 -7.62924 8.98492 TIMING: 2530600 CPU: 7540.86, 0.00300171/step Wall: 7540.86, 0.00300171/step, 2.05901 hours remaining, 207.671875 MB of memory in use. ENERGY: 2530600 727.2931 2089.6982 1968.9642 121.9570 -206285.0544 17866.7001 0.0000 0.0000 34041.1899 -149469.2519 297.2902 -183510.4418 -149366.0201 298.5881 24.3446 59.9054 556722.4344 -1.1448 -1.1411 PRESSURE: 2530800 197.151 44.2185 -75.7305 44.2195 136.814 26.9738 -75.7313 26.9732 196.983 GPRESSURE: 2530800 193.861 33.5698 -40.9526 65.5937 158.385 -34.386 -134.149 65.1824 278.421 PRESSAVG: 2530800 -12.5427 -19.4073 33.9046 -19.4072 -32.381 -5.73461 33.9044 -5.73478 34.9256 GPRESSAVG: 2530800 -13.5614 -19.7357 32.9626 -19.935 -31.9069 -6.79199 31.8971 -3.53576 36.0169 TIMING: 2530800 CPU: 7541.46, 0.00299935/step Wall: 7541.46, 0.00299935/step, 2.05722 hours remaining, 207.671875 MB of memory in use. ENERGY: 2530800 730.4991 2096.0668 1973.1763 114.6233 -206677.8015 18111.4223 0.0000 0.0000 34230.4808 -149421.5330 298.9433 -183652.0138 -149330.3945 299.2145 176.9827 210.2225 557354.5058 -3.3327 -3.1504 PRESSURE: 2531000 184.498 -40.4407 219.889 -40.4395 287.625 131.524 219.89 131.524 290.393 GPRESSURE: 2531000 214.625 -2.8081 290.661 -3.89896 317.269 173.143 142.315 101.721 340.21 PRESSAVG: 2531000 -8.63111 -2.43869 17.539 -2.43879 58.6662 -48.1144 17.5389 -48.1144 2.54915 GPRESSAVG: 2531000 -8.07217 -1.39091 19.5121 -2.7648 58.6374 -48.3662 18.3768 -47.7304 1.67497 TIMING: 2531000 CPU: 7542.06, 0.00300186/step Wall: 7542.06, 0.00300186/step, 2.05877 hours remaining, 207.671875 MB of memory in use. ENERGY: 2531000 711.1878 2127.0183 1977.4748 120.9749 -206959.6043 18304.3903 0.0000 0.0000 34142.2717 -149576.2866 298.1730 -183718.5583 -149485.3682 298.3682 254.1720 290.7012 557305.7915 17.5281 17.4134 PRESSURE: 2531200 75.1471 108.852 -13.494 108.85 50.9112 78.7473 -13.4938 78.7467 -196.774 GPRESSURE: 2531200 118.606 130.525 63.2715 33.8189 57.2769 -78.9798 -59.3764 150.46 -141.056 PRESSAVG: 2531200 -21.8483 -10.8596 34.0221 -10.8597 60.6564 13.1853 34.0221 13.1852 -46.6323 GPRESSAVG: 2531200 -22.9084 -11.3516 33.2344 -11.4327 60.9354 12.5557 33.8345 12.7286 -45.9667 TIMING: 2531200 CPU: 7542.66, 0.00298304/step Wall: 7542.66, 0.00298304/step, 2.0457 hours remaining, 207.671875 MB of memory in use. ENERGY: 2531200 733.2664 2130.8000 1939.9303 132.6494 -206528.2627 17982.8337 0.0000 0.0000 34036.1825 -149572.6003 297.2464 -183608.7829 -149483.8262 298.2821 -23.5718 11.6090 557977.2191 -2.6081 -2.6466 PRESSURE: 2531400 57.7159 -82.5473 -91.0046 -82.5473 107.909 96.419 -91.0037 96.4198 201.454 GPRESSURE: 2531400 116.935 -50.2549 -85.5926 -64.9129 127.229 138.478 -90.5549 63.7186 202.117 PRESSAVG: 2531400 -54.0226 25.9231 27.1428 25.9232 15.2926 58.2148 27.1428 58.2148 37.4514 GPRESSAVG: 2531400 -54.7194 24.9813 27.9249 28.2149 16.2828 59.5203 26.0801 59.3359 36.5552 TIMING: 2531400 CPU: 7543.26, 0.00298466/step Wall: 7543.26, 0.00298466/step, 2.04665 hours remaining, 207.671875 MB of memory in use. ENERGY: 2531400 687.3274 2125.9345 1970.7539 102.7065 -206700.7624 18060.3550 0.0000 0.0000 34215.0593 -149538.6258 298.8086 -183753.6851 -149441.9850 298.9950 122.3595 148.7602 556652.2464 -0.4262 -0.6271 PRESSURE: 2531600 -140.098 54.037 -194.611 54.0379 2.9258 -42.3318 -194.61 -42.334 220.981 GPRESSURE: 2531600 -86.4388 117.528 -63.2744 4.78843 47.0083 -73.4229 -232.342 -3.62317 229.15 PRESSAVG: 2531600 -27.1089 53.7153 -9.19329 53.7153 -25.2744 -32.7698 -9.19331 -32.7698 80.6478 GPRESSAVG: 2531600 -25.8605 53.609 -10.2063 52.94 -26.0462 -32.7549 -7.57941 -34.5543 79.8851 TIMING: 2531600 CPU: 7543.85, 0.00297585/step Wall: 7543.85, 0.00297585/step, 2.04044 hours remaining, 207.671875 MB of memory in use. ENERGY: 2531600 750.3595 2091.6674 1945.0161 110.1553 -206335.5635 17868.0923 0.0000 0.0000 34124.1967 -149446.0762 298.0151 -183570.2729 -149352.3524 298.5156 27.9365 63.2400 556436.5237 9.4215 9.3261 PRESSURE: 2531800 -378.575 -157.462 66.4916 -157.462 150.111 142.193 66.4915 142.194 -201.022 GPRESSURE: 2531800 -392.224 -109.989 167.283 -229.731 202.263 105.426 66.9228 43.4676 -156.942 PRESSAVG: 2531800 -5.39333 -5.50255 -10.444 -5.50259 -2.22513 -9.15642 -10.444 -9.15642 14.5061 GPRESSAVG: 2531800 -5.48708 -6.96926 -10.1667 -5.49889 -2.40118 -10.3269 -11.2152 -7.74251 14.8947 TIMING: 2531800 CPU: 7544.45, 0.00297758/step Wall: 7544.45, 0.00297758/step, 2.04146 hours remaining, 207.671875 MB of memory in use. ENERGY: 2531800 769.6532 2098.2491 1956.2228 116.1123 -206328.0876 17678.0311 0.0000 0.0000 34303.1713 -149406.6479 299.5781 -183709.8192 -149306.2798 298.5156 -143.1622 -115.6344 558131.7205 2.2959 2.3355 PRESSURE: 2532000 -165.134 22.8145 18.0165 22.814 -29.6576 -33.4039 18.0165 -33.4049 -1.29995 GPRESSURE: 2532000 -181.912 -21.5557 110.532 87.2025 29.3482 23.2085 -51.9002 -79.1665 52.5544 PRESSAVG: 2532000 -103.4 -30.4172 49.201 -30.4172 70.5491 -31.305 49.201 -31.3051 -25.1895 GPRESSAVG: 2532000 -103.33 -29.5799 47.9457 -29.375 70.4518 -29.5725 49.6821 -32.0366 -25.2832 TIMING: 2532000 CPU: 7545.05, 0.00298013/step Wall: 7545.05, 0.00298013/step, 2.04304 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: 2532000 740.2608 2086.2567 1941.1018 115.2523 -206387.6544 17846.8960 0.0000 0.0000 34260.1723 -149397.7144 299.2026 -183657.8868 -149291.9834 299.6167 -65.3639 -33.3364 557431.7244 -19.3469 -19.3872 PRESSURE: 2532200 -68.4995 113.043 36.6385 113.044 -404.632 -89.6385 36.6385 -89.6379 16.63 GPRESSURE: 2532200 -47.111 34.0667 23.1427 102.913 -364.334 -39.709 46.7481 -134.75 37.3515 PRESSAVG: 2532200 5.90159 3.86066 -9.23225 3.86055 19.7659 18.7027 -9.23226 18.7027 -25.2997 GPRESSAVG: 2532200 5.57418 2.82465 -8.77628 3.25027 20.4051 18.8598 -8.52542 18.9687 -26.3794 TIMING: 2532200 CPU: 7545.64, 0.00297504/step Wall: 7545.64, 0.00297504/step, 2.03939 hours remaining, 207.671875 MB of memory in use. ENERGY: 2532200 765.0706 2083.9105 1946.3448 130.2416 -206428.0365 17850.8546 0.0000 0.0000 34049.5275 -149602.0870 297.3630 -183651.6146 -149500.1714 298.3768 -152.1670 -124.6979 557531.5547 0.1226 -0.1334 LDB: ============= START OF LOAD BALANCING ============== 7549.07 LDB: ============== END OF LOAD BALANCING =============== 7549.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7549.07 LDB: ============= START OF LOAD BALANCING ============== 7549.37 LDB: Largest compute 4849 load 0.026177 is 22.2% of average load 0.118115 LDB: Average compute 0.001718 is 1.5% of average load 0.118115 LDB: TIME 7549.37 LOAD: AVG 0.118115 MAX 0.205109 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 7549.37 LOAD: AVG 0.118115 MAX 0.205109 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: TIME 7549.37 LOAD: AVG 0.118115 MAX 0.205109 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: ============== END OF LOAD BALANCING =============== 7549.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7549.38 PRESSURE: 2532400 -43.4122 214.316 -36.4249 214.317 48.4837 58.4667 -36.4253 58.4679 -253.443 GPRESSURE: 2532400 34.3394 53.8436 -45.5228 293.25 43.1721 49.6066 27.9849 105.348 -228.983 PRESSAVG: 2532400 49.7193 64.4679 8.31514 64.4679 -31.0127 20.1817 8.31505 20.1817 -27.8418 GPRESSAVG: 2532400 50.4053 65.7512 11.6124 63.1299 -31.6438 20.8581 5.96335 18.3423 -27.6672 TIMING: 2532400 CPU: 7546.25, 0.00305228/step Wall: 7546.25, 0.00305228/step, 2.09217 hours remaining, 206.253906 MB of memory in use. ENERGY: 2532400 787.0282 2140.8362 1959.7624 110.6204 -206877.5761 17918.5815 0.0000 0.0000 34239.0049 -149721.7424 299.0177 -183960.7473 -149630.5874 297.7337 -82.7905 -50.4906 555446.5861 -3.0450 -2.9686 PRESSURE: 2532600 136.505 -64.1397 0.0814417 -64.1388 23.1481 80.57 0.082222 80.5699 10.6754 GPRESSURE: 2532600 91.3273 -30.6326 22.3701 -77.8098 92.772 56.1461 24.7855 85.341 68.1791 PRESSAVG: 2532600 28.1902 -42.8979 -12.8851 -42.8979 99.4868 -29.6402 -12.8852 -29.6402 -85.8361 GPRESSAVG: 2532600 27.4989 -43.0617 -14.3164 -41.8717 99.5367 -31.4622 -10.6847 -27.414 -85.3147 TIMING: 2532600 CPU: 7546.85, 0.00299451/step Wall: 7546.85, 0.00299451/step, 2.0524 hours remaining, 206.453125 MB of memory in use. ENERGY: 2532600 771.1126 2050.5897 1968.9878 106.7546 -206695.5444 18086.2704 0.0000 0.0000 34093.5943 -149618.2351 297.7478 -183711.8293 -149519.6629 297.9214 56.7760 84.0928 556294.5842 13.9470 13.9070 PRESSURE: 2532800 225.267 -27.3849 11.1043 -27.385 -12.5987 -70.0428 11.1038 -70.043 45.055 GPRESSURE: 2532800 254.352 -95.8373 44.8616 -61.1024 4.10317 -96.8546 64.1599 -17.6463 112.902 PRESSAVG: 2532800 60.0327 66.2928 30.1882 66.2928 -21.1243 100.486 30.1883 100.486 -66.4263 GPRESSAVG: 2532800 60.6394 66.6946 29.4337 65.4294 -22.3317 101.705 31.2691 99.4227 -65.9634 TIMING: 2532800 CPU: 7547.45, 0.00299334/step Wall: 7547.45, 0.00299334/step, 2.05143 hours remaining, 206.453125 MB of memory in use. ENERGY: 2532800 739.7599 2084.6528 1958.8237 113.7877 -206631.7816 18138.7526 0.0000 0.0000 34102.7651 -149493.2398 297.8279 -183596.0049 -149396.2836 298.1564 85.9076 123.7859 556647.2013 -9.1726 -9.2186 PRESSURE: 2533000 232.176 -51.8175 -30.2965 -51.8179 -132.423 36.7382 -30.2973 36.7391 213.174 GPRESSURE: 2533000 223.395 41.5541 45.8222 -91.1448 -91.5979 78.9138 -37.1674 21.5457 278.672 PRESSAVG: 2533000 5.92394 -16.6688 -4.03425 -16.6689 30.6213 25.2201 -4.03417 25.2201 -13.9722 GPRESSAVG: 2533000 6.64171 -15.3783 -5.16688 -17.9757 31.0544 26.2462 -4.90614 23.4935 -14.3729 TIMING: 2533000 CPU: 7548.05, 0.00299184/step Wall: 7548.05, 0.00299184/step, 2.05024 hours remaining, 206.453125 MB of memory in use. ENERGY: 2533000 714.1661 2119.3438 1952.2304 110.5746 -206357.7121 17850.4865 0.0000 0.0000 34268.6115 -149342.2991 299.2763 -183610.9107 -149248.5247 298.7385 104.3091 136.8232 556312.1887 7.5243 7.7744 PRESSURE: 2533200 24.529 -71.4805 296.934 -71.4801 -126.077 -38.1301 296.933 -38.1302 -36.0154 GPRESSURE: 2533200 49.8681 -23.2181 313.492 -30.5673 -90.6677 -18.3036 232.57 -35.8012 3.93569 PRESSAVG: 2533200 21.0806 16.279 17.827 16.2791 -22.7483 8.70517 17.827 8.70515 3.98481 GPRESSAVG: 2533200 21.4444 14.5562 20.8907 15.9984 -22.5635 6.57144 16.0554 11.2541 3.86579 TIMING: 2533200 CPU: 7548.65, 0.00301489/step Wall: 7548.65, 0.00301489/step, 2.06587 hours remaining, 206.453125 MB of memory in use. ENERGY: 2533200 770.4977 2052.2101 1933.2866 118.2340 -206332.2418 17835.5841 0.0000 0.0000 34160.6364 -149461.7930 298.3333 -183622.4294 -149367.5521 298.9896 -45.8543 -12.2880 558125.7808 0.7724 0.9156 PRESSURE: 2533400 129.464 -142.363 162.23 -142.362 -112.607 35.1621 162.229 35.1624 -350.794 GPRESSURE: 2533400 135.242 -118.637 125.666 -109.186 -31.9174 91.8458 210.975 -50.8742 -335.019 PRESSAVG: 2533400 24.3478 -21.6436 6.63528 -21.6435 38.5414 4.89162 6.63533 4.89154 -77.161 GPRESSAVG: 2533400 24.056 -18.4367 3.59035 -23.1244 39.1273 6.25103 8.83663 3.73037 -77.7298 TIMING: 2533400 CPU: 7549.25, 0.00300025/step Wall: 7549.25, 0.00300025/step, 2.05567 hours remaining, 206.453125 MB of memory in use. ENERGY: 2533400 760.8633 2104.4594 1941.3866 125.9946 -206149.1343 17729.2986 0.0000 0.0000 34212.0797 -149275.0522 298.7826 -183487.1319 -149188.3302 299.0772 -111.3125 -77.2314 557913.3788 -4.7573 -4.8488 PRESSURE: 2533600 164.179 3.21719 -36.9113 3.21706 -120.53 30.7297 -36.9122 30.7302 -290.349 GPRESSURE: 2533600 175.305 54.8638 7.7872 10.3561 -112.434 39.9893 -38.9806 10.8698 -205.388 PRESSAVG: 2533600 71.9561 -8.05836 14.0579 -8.05843 -24.5369 22.0245 14.0579 22.0244 -41.8394 GPRESSAVG: 2533600 71.8966 -8.57275 14.7035 -5.86571 -24.7964 21.731 13.1178 22.794 -41.5871 TIMING: 2533600 CPU: 7549.85, 0.00298663/step Wall: 7549.85, 0.00298663/step, 2.04617 hours remaining, 206.453125 MB of memory in use. ENERGY: 2533600 734.7881 2075.9941 1936.4454 122.1806 -206003.6935 17716.6416 0.0000 0.0000 34125.9840 -149291.6597 298.0307 -183417.6437 -149197.2640 298.7720 -82.2333 -47.5059 558175.4494 1.8599 1.8377 PRESSURE: 2533800 -327.686 7.89752 49.5925 7.89798 212.012 -6.30766 49.594 -6.30778 37.2705 GPRESSURE: 2533800 -314.226 49.7552 7.52955 -100.776 205.964 -57.3252 74.48 30.9245 125.303 PRESSAVG: 2533800 51.8899 6.44806 -27.4452 6.44802 28.7028 -12.5615 -27.4451 -12.5615 -61.9947 GPRESSAVG: 2533800 52.3128 5.62805 -29.4733 5.42375 26.4997 -10.2877 -26.0981 -14.1437 -60.8604 TIMING: 2533800 CPU: 7550.44, 0.0029628/step Wall: 7550.44, 0.0029628/step, 2.02968 hours remaining, 206.453125 MB of memory in use. ENERGY: 2533800 783.3704 2054.6096 1935.7938 114.7848 -206271.0112 17847.8301 0.0000 0.0000 34244.2866 -149290.3360 299.0639 -183534.6226 -149187.5728 299.2337 -26.1345 5.6805 557164.1157 6.1993 5.9841 PRESSURE: 2534000 75.5763 94.9448 -69.1201 94.9433 61.8831 18.1532 -69.1202 18.1544 234.322 GPRESSURE: 2534000 95.5124 5.54879 -96.0526 35.4419 93.7172 -11.5743 21.9951 63.3863 292.354 PRESSAVG: 2534000 -30.9619 1.37171 -43.7104 1.37166 35.4243 -17.9159 -43.7104 -17.9159 9.1575 GPRESSAVG: 2534000 -30.3768 -0.452497 -42.6716 3.16491 36.4933 -20.129 -46.0246 -14.6362 7.74217 TIMING: 2534000 CPU: 7551.03, 0.00297122/step Wall: 7551.03, 0.00297122/step, 2.03528 hours remaining, 206.453125 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: 2534000 720.5388 2099.9288 1958.2741 101.3960 -206542.4271 17987.2705 0.0000 0.0000 34357.8182 -149317.2008 300.0554 -183675.0190 -149223.2601 299.1322 123.9270 160.5280 556539.9919 4.5400 4.6195 PRESSURE: 2534200 -41.6173 38.6037 -89.7815 38.6049 -58.6722 -98.2058 -89.7815 -98.2069 244.833 GPRESSURE: 2534200 6.63826 -10.7376 -53.2797 45.7797 -12.5362 -42.6211 -184.237 -79.9568 243.833 PRESSAVG: 2534200 -28.7572 -28.5751 -45.7955 -28.5752 82.8911 -1.48583 -45.7957 -1.48593 -30.2375 GPRESSAVG: 2534200 -27.8062 -28.5127 -46.3664 -29.1165 83.6828 -2.01542 -43.7726 -3.29813 -32.4862 TIMING: 2534200 CPU: 7551.64, 0.003016/step Wall: 7551.64, 0.003016/step, 2.06579 hours remaining, 206.453125 MB of memory in use. ENERGY: 2534200 733.4099 2057.8402 1954.9009 112.7123 -206112.9717 17831.3041 0.0000 0.0000 34152.9481 -149269.8561 298.2662 -183422.8042 -149172.5983 299.2259 48.1813 79.3119 557233.3798 7.9654 7.7968 PRESSURE: 2534400 -74.3656 -22.702 -45.7219 -22.7022 62.7912 -100.641 -45.7213 -100.641 116.829 GPRESSURE: 2534400 -32.4903 -74.1154 -11.4076 -0.328783 104.493 -164.636 -60.2198 -79.2254 121.728 PRESSAVG: 2534400 2.38838 -28.0182 -11.76 -28.0181 -32.3423 -40.0491 -11.76 -40.0492 19.9885 GPRESSAVG: 2534400 1.60333 -28.6059 -9.05207 -27.1211 -32.7166 -38.3708 -13.4792 -40.6785 21.5455 TIMING: 2534400 CPU: 7552.24, 0.00300426/step Wall: 7552.24, 0.00300426/step, 2.05758 hours remaining, 206.453125 MB of memory in use. ENERGY: 2534400 737.5131 2044.2916 1940.1749 110.0948 -206382.9404 17749.4752 0.0000 0.0000 34411.8306 -149389.5603 300.5271 -183801.3908 -149289.4760 298.7115 35.0848 64.5769 557091.4085 -3.3218 -3.1892 PRESSURE: 2534600 -156.579 -47.9223 54.3226 -47.9216 27.7491 -91.298 54.3223 -91.2991 -13.1576 GPRESSURE: 2534600 -125.017 -46.9705 8.81747 -90.0563 57.9782 -38.0804 79.322 -90.9598 24.6837 PRESSAVG: 2534600 26.8813 -48.2556 -6.17567 -48.2556 53.4538 -6.68642 -6.17573 -6.68634 -50.5566 GPRESSAVG: 2534600 26.132 -46.5394 -8.28065 -51.132 53.8652 -7.9619 -5.52473 -5.26301 -50.2441 TIMING: 2534600 CPU: 7552.83, 0.00296357/step Wall: 7552.83, 0.00296357/step, 2.02955 hours remaining, 206.453125 MB of memory in use. ENERGY: 2534600 736.9308 2094.1778 1943.4447 111.7447 -206336.5311 17606.1718 0.0000 0.0000 34358.7214 -149485.3399 300.0633 -183844.0612 -149384.8018 298.8508 -47.3291 -14.1183 557469.7352 9.9262 9.9177 PRESSURE: 2534800 226.805 24.1935 -16.0267 24.1938 -19.0279 -167.873 -16.0274 -167.872 118.425 GPRESSURE: 2534800 212.808 23.652 -40.9574 71.2298 20.4585 -193.921 35.8115 -158.114 189.643 PRESSAVG: 2534800 -36.661 -12.1561 -25.7689 -12.1562 69.9921 15.054 -25.769 15.0541 -18.7708 GPRESSAVG: 2534800 -35.7188 -13.4716 -26.4635 -9.57441 68.856 13.9127 -24.2588 14.5501 -18.5117 TIMING: 2534800 CPU: 7553.43, 0.00300597/step Wall: 7553.43, 0.00300597/step, 2.05842 hours remaining, 206.453125 MB of memory in use. ENERGY: 2534800 762.1170 2072.1332 1950.3527 113.9322 -206047.2752 17874.2344 0.0000 0.0000 33929.1368 -149345.3689 296.3116 -183274.5057 -149251.9766 298.7645 108.7342 140.9698 556717.2779 4.8534 4.8752 PRESSURE: 2535000 -72.8488 -54.9543 -168.176 -54.9534 111.719 55.4291 -168.176 55.4294 -51.6205 GPRESSURE: 2535000 -58.3176 -41.3769 -131.52 -13.0609 118.237 77.5827 -199.977 75.4381 19.4014 PRESSAVG: 2535000 -48.3922 -12.5526 7.30742 -12.5525 27.8145 84.4184 7.30735 84.4185 46.9865 GPRESSAVG: 2535000 -49.6614 -10.3711 8.15652 -14.7344 29.2035 87.9991 4.90034 82.5211 46.516 TIMING: 2535000 CPU: 7554.03, 0.00298363/step Wall: 7554.03, 0.00298363/step, 2.04295 hours remaining, 206.453125 MB of memory in use. ENERGY: 2535000 749.7820 2036.9587 1954.3036 105.7290 -206336.1724 18019.0565 0.0000 0.0000 34151.5492 -149318.7934 298.2540 -183470.3427 -149216.9404 298.7635 -4.2501 26.4403 557118.1171 8.8029 8.6860 PRESSURE: 2535200 148.179 116.764 -23.2568 116.765 -69.2251 -116.036 -23.2559 -116.037 -161.111 GPRESSURE: 2535200 167.279 73.2527 -53.0599 187.673 -2.3038 -204.94 76.5455 -4.50503 -135.681 PRESSAVG: 2535200 -15.1339 28.2476 11.9129 28.2476 18.9885 7.11654 11.9129 7.1165 -11.6451 GPRESSAVG: 2535200 -14.8644 27.1463 10.5455 30.7221 19.861 5.70295 14.9003 9.15338 -12.9797 TIMING: 2535200 CPU: 7554.62, 0.00297891/step Wall: 7554.62, 0.00297891/step, 2.03956 hours remaining, 206.453125 MB of memory in use. ENERGY: 2535200 751.1359 2067.0785 1962.3444 102.5701 -206276.8312 17879.4726 0.0000 0.0000 34153.2013 -149361.0284 298.2684 -183514.2298 -149265.6881 298.8429 -27.3858 9.7647 557453.3355 -2.5968 -2.6610 PRESSURE: 2535400 67.7417 -38.3777 1.84829 -38.3771 71.255 -138.771 1.85022 -138.772 114.504 GPRESSURE: 2535400 72.4535 -96.8283 43.0561 -35.196 156.88 -176.263 -57.2113 -180.375 130.669 PRESSAVG: 2535400 46.8549 42.3679 15.9377 42.3679 -27.5347 11.4624 15.9377 11.4624 -42.9769 GPRESSAVG: 2535400 47.7559 42.9911 19.6868 40.7699 -27.8018 11.4569 14.0138 10.2682 -43.3349 TIMING: 2535400 CPU: 7555.22, 0.00298529/step Wall: 7555.22, 0.00298529/step, 2.04376 hours remaining, 206.453125 MB of memory in use. ENERGY: 2535400 724.5553 2066.0302 1966.9455 103.4029 -206401.7245 17851.8298 0.0000 0.0000 34249.3668 -149439.5942 299.1082 -183688.9609 -149337.3345 298.5164 84.5001 120.0008 555508.2097 -7.8856 -7.7936 PRESSURE: 2535600 -36.7219 111.605 -101.301 111.603 31.3121 -101.109 -101.301 -101.111 80.0992 GPRESSURE: 2535600 39.4914 134.779 -63.6686 114.979 45.8432 8.0239 -130.994 -99.9395 82.0462 PRESSAVG: 2535600 -1.03196 -5.15278 -33.6058 -5.1527 8.3814 -23.8428 -33.6057 -23.8429 -7.75252 GPRESSAVG: 2535600 -1.89747 -4.33813 -37.0266 -6.23197 8.0647 -26.1207 -32.2276 -21.0556 -6.00818 TIMING: 2535600 CPU: 7555.82, 0.00298635/step Wall: 7555.82, 0.00298635/step, 2.04433 hours remaining, 206.453125 MB of memory in use. ENERGY: 2535600 743.4946 2085.9245 1927.9921 115.4006 -206004.6698 17780.6098 0.0000 0.0000 34108.1456 -149243.1026 297.8749 -183351.2482 -149148.6249 298.3513 24.8965 55.7936 556960.0744 -0.1344 0.0530 PRESSURE: 2535800 -81.2723 113.035 -49.1367 113.034 -82.6534 -14.3141 -49.1369 -14.3138 -208.828 GPRESSURE: 2535800 -26.4116 0.916883 -22.3497 91.0551 -106.348 61.8615 -86.2536 -46.8252 -147.857 PRESSAVG: 2535800 -27.234 -15.4313 1.19594 -15.4313 5.79476 -16.574 1.19598 -16.5741 37.6685 GPRESSAVG: 2535800 -27.9728 -17.3173 1.24984 -15.974 6.43435 -14.7142 0.123963 -18.1998 37.3944 TIMING: 2535800 CPU: 7556.41, 0.00296669/step Wall: 7556.41, 0.00296669/step, 2.0307 hours remaining, 206.453125 MB of memory in use. ENERGY: 2535800 714.1210 2073.5343 1981.1527 127.5480 -206243.1484 17649.9772 0.0000 0.0000 34543.5231 -149153.2923 301.6772 -183696.8153 -149056.6850 299.4925 -124.2512 -93.5388 557391.5740 5.4097 5.2853 PRESSURE: 2536000 212.944 25.7348 -41.7529 25.734 29.3099 141.94 -41.7544 141.939 133.567 GPRESSURE: 2536000 323.011 18.4282 -33.8128 -14.1181 9.42873 89.3845 -72.0453 204.981 142.91 PRESSAVG: 2536000 42.451 -18.2825 10.1775 -18.2824 -11.6656 52.6583 10.1775 52.6585 -22.9985 GPRESSAVG: 2536000 43.42 -18.1229 9.33783 -16.2063 -12.4244 51.153 12.6202 53.0701 -23.1584 TIMING: 2536000 CPU: 7557.01, 0.00298425/step Wall: 7557.01, 0.00298425/step, 2.04255 hours remaining, 206.453125 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: 2536000 704.8449 2094.0804 1916.5978 105.9474 -206264.9419 17987.6455 0.0000 0.0000 34386.5214 -149069.3044 300.3060 -183455.8258 -148977.7055 299.7149 125.2736 158.4499 558972.6304 2.5956 2.6124 PRESSURE: 2536200 82.5423 16.3397 -128.117 16.3394 204.425 -11.1199 -128.117 -11.1197 59.7543 GPRESSURE: 2536200 138.259 65.1193 -99.6191 54.6706 240.402 -78.2028 -80.5877 47.0808 66.3632 PRESSAVG: 2536200 7.00726 -8.09401 -32.2687 -8.09396 4.56923 3.69166 -32.2687 3.69172 -17.124 GPRESSAVG: 2536200 6.74431 -6.41585 -29.8234 -10.1402 4.44157 7.16185 -34.6911 3.44692 -16.9965 TIMING: 2536200 CPU: 7557.61, 0.00298332/step Wall: 7557.61, 0.00298332/step, 2.04175 hours remaining, 206.453125 MB of memory in use. ENERGY: 2536200 709.9260 2063.0323 1938.9517 114.4016 -206107.8388 17771.9602 0.0000 0.0000 34434.9485 -149074.6186 300.7290 -183509.5671 -148978.5485 299.8061 115.5739 148.3411 556447.1612 -1.8492 -1.9369 LDB: ============= START OF LOAD BALANCING ============== 7561.03 LDB: ============== END OF LOAD BALANCING =============== 7561.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7561.04 LDB: ============= START OF LOAD BALANCING ============== 7561.34 LDB: Largest compute 4849 load 0.027603 is 23.4% of average load 0.117985 LDB: Average compute 0.001724 is 1.5% of average load 0.117985 LDB: TIME 7561.34 LOAD: AVG 0.117985 MAX 0.20353 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 7561.34 LOAD: AVG 0.117985 MAX 0.20353 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: TIME 7561.34 LOAD: AVG 0.117985 MAX 0.20353 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: ============== END OF LOAD BALANCING =============== 7561.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7561.34 PRESSURE: 2536400 -76.2966 54.6718 -1.73654 54.67 -42.8347 -4.37836 -1.73695 -4.3797 57.8345 GPRESSURE: 2536400 -49.8762 127.291 38.1819 47.3017 12.45 28.6137 59.3276 -59.1982 75.9915 PRESSAVG: 2536400 18.0403 -10.8137 42.859 -10.8137 9.10791 38.2118 42.8589 38.2118 -0.903761 GPRESSAVG: 2536400 19.9131 -11.2035 42.2568 -10.8398 8.85072 38.1478 43.2447 36.8939 -2.14783 TIMING: 2536400 CPU: 7558.22, 0.00305129/step Wall: 7558.22, 0.00305129/step, 2.0881 hours remaining, 206.050781 MB of memory in use. ENERGY: 2536400 758.9757 2063.7329 1951.1657 110.2748 -205903.9189 17840.1550 0.0000 0.0000 34447.3901 -148732.2247 300.8376 -183179.6148 -148639.5856 300.2229 -20.4323 12.8551 558906.9870 8.7481 8.8720 PRESSURE: 2536600 53.7618 -33.8082 -68.534 -33.808 -41.2899 8.75267 -68.5329 8.75312 -66.103 GPRESSURE: 2536600 59.857 52.9458 -87.0688 -97.2976 2.78594 157.341 -17.3804 65.5706 -13.1476 PRESSAVG: 2536600 2.56911 63.8082 -16.7478 63.8082 5.65563 25.8422 -16.7478 25.8421 -26.2785 GPRESSAVG: 2536600 0.765051 62.1039 -15.7514 65.5074 5.27 26.7551 -18.0368 28.0593 -24.6136 TIMING: 2536600 CPU: 7558.81, 0.0029847/step Wall: 7558.81, 0.0029847/step, 2.04237 hours remaining, 206.250000 MB of memory in use. ENERGY: 2536600 759.7306 2043.3698 1911.2736 110.0935 -205947.7998 17704.6390 0.0000 0.0000 34337.5977 -149081.0956 299.8788 -183418.6933 -148981.9320 300.0238 -17.8770 16.4985 557023.4342 -6.0179 -6.1929 PRESSURE: 2536800 37.4323 -155.299 -27.7621 -155.298 65.9971 119.929 -27.7621 119.929 32.5182 GPRESSURE: 2536800 70.1073 -168.66 -18.3055 -145.453 93.6516 183.674 52.7592 118.689 83.4338 PRESSAVG: 2536800 -1.33015 -7.70208 -51.8047 -7.70211 -60.1911 -1.56087 -51.8047 -1.56075 27.311 GPRESSAVG: 2536800 -1.20741 -8.42842 -53.861 -6.51354 -58.95 -2.74221 -49.1276 -3.26852 25.8315 TIMING: 2536800 CPU: 7559.41, 0.00298437/step Wall: 7559.41, 0.00298437/step, 2.04197 hours remaining, 206.250000 MB of memory in use. ENERGY: 2536800 741.7668 2080.7943 1954.4241 113.7278 -206214.0319 17944.6020 0.0000 0.0000 34334.5651 -149044.1519 299.8523 -183378.7170 -148940.3474 299.5692 45.3159 82.3976 558379.4868 -11.4034 -11.4420 PRESSURE: 2537000 -25.6663 170.474 26.2289 170.474 -158.373 141.329 26.2286 141.329 2.32091 GPRESSURE: 2537000 -13.2212 126.983 -39.0147 150.373 -101.666 66.5213 61.3579 153.324 25.6972 PRESSAVG: 2537000 23.2803 -3.0824 -1.03053 -3.08248 -20.4404 -27.4309 -1.03063 -27.4309 -7.52177 GPRESSAVG: 2537000 23.3657 -1.68121 0.213107 -4.04206 -20.1402 -27.5974 -2.54003 -27.3796 -6.939 TIMING: 2537000 CPU: 7560.01, 0.00300087/step Wall: 7560.01, 0.00300087/step, 2.0531 hours remaining, 206.250000 MB of memory in use. ENERGY: 2537000 737.7289 2053.8681 1934.3066 110.3998 -205958.5503 17852.3218 0.0000 0.0000 34284.9722 -148984.9529 299.4192 -183269.9251 -148891.8287 299.4154 -60.5727 -29.7301 558083.5408 -1.5606 -1.2379 PRESSURE: 2537200 60.3489 -15.016 -55.159 -15.0153 -101.493 -32.219 -55.1586 -32.2191 58.6418 GPRESSURE: 2537200 73.0466 12.8306 -14.9869 0.573452 -4.67014 -16.5857 15.055 -99.3118 43.4692 PRESSAVG: 2537200 -60.4437 52.7217 10.3476 52.7217 53.2522 -9.41985 10.3477 -9.41987 10.4553 GPRESSAVG: 2537200 -61.6135 53.4426 12.5907 51.6155 53.79 -10.7877 8.6319 -8.70958 11.2909 TIMING: 2537200 CPU: 7560.61, 0.00299857/step Wall: 7560.61, 0.00299857/step, 2.05135 hours remaining, 206.250000 MB of memory in use. ENERGY: 2537200 731.1777 2043.2511 1940.4801 102.8720 -205948.0655 17711.2062 0.0000 0.0000 34451.4335 -148967.6450 300.8729 -183419.0785 -148868.3613 300.2266 5.8326 37.2819 557373.0478 1.0879 1.1558 PRESSURE: 2537400 62.1615 -22.9825 15.7375 -22.9819 221.323 -130.818 15.7363 -130.817 116.644 GPRESSURE: 2537400 145.996 -38.9685 26.9182 68.9893 173.56 -26.3634 82.1565 -189.186 174.129 PRESSAVG: 2537400 -3.02574 14.521 54.4331 14.5209 9.95773 -6.86201 54.433 -6.86207 -3.30379 GPRESSAVG: 2537400 -1.70399 15.3955 49.6664 16.6371 9.72489 -7.15661 59.0788 -6.77425 -4.28508 TIMING: 2537400 CPU: 7561.21, 0.00301087/step Wall: 7561.21, 0.00301087/step, 2.0596 hours remaining, 206.250000 MB of memory in use. ENERGY: 2537400 727.0746 2045.0631 1958.6397 107.8528 -206333.5565 18052.9288 0.0000 0.0000 34228.9531 -149213.0444 298.9300 -183441.9976 -149113.6941 299.6108 133.3764 164.5615 556994.5791 1.2094 1.2453 PRESSURE: 2537600 -255.885 -94.4657 57.5057 -94.4657 -251.087 -42.5986 57.5062 -42.5992 54.6953 GPRESSURE: 2537600 -284.792 -48.0112 34.162 -164.915 -216.718 -65.034 99.802 -51.0274 142.144 PRESSAVG: 2537600 69.0959 -28.3356 31.34 -28.3357 -82.8057 -68.7515 31.3401 -68.7516 34.0523 GPRESSAVG: 2537600 67.5877 -27.7847 34.5972 -29.6355 -82.3499 -68.9878 27.7262 -68.2715 35.4233 TIMING: 2537600 CPU: 7561.82, 0.00302178/step Wall: 7561.82, 0.00302178/step, 2.0669 hours remaining, 206.507812 MB of memory in use. ENERGY: 2537600 751.7184 2029.0368 1941.4224 111.6708 -205935.9287 17713.7536 0.0000 0.0000 34210.4271 -149177.8995 298.7682 -183388.3266 -149084.1889 299.4155 -150.7590 -119.7886 559828.1569 6.7808 6.8870 PRESSURE: 2537800 -119.679 77.5806 -0.0966206 77.5804 -66.6694 28.4361 -0.0953525 28.4365 101.104 GPRESSURE: 2537800 -160.83 76.7246 87.2026 32.372 -6.30968 29.3256 -15.2979 23.5618 166.448 PRESSAVG: 2537800 69.1986 5.77629 -6.27372 5.77631 -5.3377 -48.0069 -6.27373 -48.0069 -38.9599 GPRESSAVG: 2537800 70.5174 5.36645 -7.52795 5.5823 -6.98504 -46.4294 -5.4608 -47.9074 -38.6613 TIMING: 2537800 CPU: 7562.42, 0.00301019/step Wall: 7562.42, 0.00301019/step, 2.05881 hours remaining, 206.507812 MB of memory in use. ENERGY: 2537800 750.3291 2020.4380 1947.2498 118.8681 -206008.1375 17719.7471 0.0000 0.0000 34129.9141 -149321.5913 298.0650 -183451.5054 -149224.6476 299.2618 -28.4147 -0.2304 558234.1571 8.3004 8.2904 PRESSURE: 2538000 -393.947 -123.449 -114.754 -123.451 -109.063 78.9366 -114.755 78.9357 8.54605 GPRESSURE: 2538000 -365.122 -74.5313 -184.587 -141.359 -47.0286 61.2494 -58.8328 46.6446 18.8495 PRESSAVG: 2538000 -43.3941 35.9256 10.417 35.9256 3.9778 -38.3488 10.4169 -38.3487 41.106 GPRESSAVG: 2538000 -43.8728 33.8435 10.9609 37.6738 5.15551 -41.1995 11.3145 -37.6523 40.4641 TIMING: 2538000 CPU: 7563.02, 0.00302591/step Wall: 7563.02, 0.00302591/step, 2.06939 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: 2538000 754.8109 2060.0801 1928.8600 105.7177 -205925.9984 17567.7739 0.0000 0.0000 34116.3780 -149392.3779 297.9468 -183508.7559 -149304.0696 299.0759 -164.8212 -131.1004 557496.9872 0.5633 0.5823 PRESSURE: 2538200 -254.404 -138.677 95.3789 -138.675 -126.53 128.741 95.3793 128.74 17.5245 GPRESSURE: 2538200 -202.453 -198.66 -13.6422 -81.0102 -103.402 155.925 106.041 143.375 42.3011 PRESSAVG: 2538200 7.53608 -36.5566 23.0295 -36.5566 -16.4311 35.5649 23.0295 35.5649 24.7914 GPRESSAVG: 2538200 7.75573 -34.8382 21.7364 -39.5777 -16.8869 39.0276 22.2765 34.5619 24.6818 TIMING: 2538200 CPU: 7563.62, 0.00298995/step Wall: 7563.62, 0.00298995/step, 2.04463 hours remaining, 206.507812 MB of memory in use. ENERGY: 2538200 751.2988 2036.8306 1951.6875 102.2275 -206455.9138 17788.9770 0.0000 0.0000 34366.5311 -149458.3613 300.1315 -183824.8924 -149363.7794 298.9843 -121.1366 -87.8512 557152.1068 5.2988 5.1835 PRESSURE: 2538400 -21.5236 -70.668 -124.817 -70.6673 -248.108 -61.328 -124.816 -61.3275 -27.2564 GPRESSURE: 2538400 -28.8465 -41.4703 -2.34469 -161.712 -172.671 -112.598 -101.479 -11.4873 24.5701 PRESSAVG: 2538400 26.1885 -68.9243 6.09302 -68.9243 -5.80982 6.28085 6.09301 6.28081 -1.23099 GPRESSAVG: 2538400 25.6287 -69.1006 7.14428 -68.3741 -5.90068 3.49414 4.59283 7.62811 -0.777553 TIMING: 2538400 CPU: 7564.22, 0.0029906/step Wall: 7564.22, 0.0029906/step, 2.04491 hours remaining, 206.507812 MB of memory in use. ENERGY: 2538400 748.1065 2060.5811 1952.4172 118.7416 -206159.6501 17689.8530 0.0000 0.0000 34256.5835 -149333.3671 299.1713 -183589.9505 -149240.0935 299.1951 -98.9625 -58.9825 556687.8966 6.3826 6.3168 PRESSURE: 2538600 181.011 140.725 -68.0103 140.724 -17.5253 46.6885 -68.0104 46.6891 -74.172 GPRESSURE: 2538600 199.345 162.17 -49.9898 182.863 45.671 19.4608 -24.0043 92.2611 -53.7833 PRESSAVG: 2538600 5.84685 -26.588 18.1468 -26.588 58.7131 15.5128 18.1469 15.5128 -37.5595 GPRESSAVG: 2538600 6.98368 -25.6736 17.1543 -25.6793 58.516 17.7757 20.8143 12.859 -37.9971 TIMING: 2538600 CPU: 7564.82, 0.00300697/step Wall: 7564.82, 0.00300697/step, 2.05593 hours remaining, 206.507812 MB of memory in use. ENERGY: 2538600 750.0325 2038.4507 1937.1326 111.1321 -206243.2143 17939.1110 0.0000 0.0000 34030.5042 -149436.8513 297.1969 -183467.3556 -149337.7747 299.1003 29.7714 63.7441 557263.6350 9.0001 9.1675 PRESSURE: 2538800 269.199 -222.941 39.8986 -222.941 125.502 -112.727 39.8981 -112.727 106.58 GPRESSURE: 2538800 270.913 -171.415 -14.0766 -197.277 209.748 -48.1775 -40.478 -94.4933 112.482 PRESSAVG: 2538800 16.6076 13.5938 -77.1159 13.5939 36.4906 -31.5141 -77.116 -31.5141 -31.2505 GPRESSAVG: 2538800 16.2273 12.5276 -76.604 14.3245 36.5432 -32.2451 -77.8263 -29.3071 -30.5703 TIMING: 2538800 CPU: 7565.42, 0.00300756/step Wall: 7565.42, 0.00300756/step, 2.05617 hours remaining, 206.507812 MB of memory in use. ENERGY: 2538800 751.3166 2095.6996 1943.1934 118.6098 -206849.7542 18166.7355 0.0000 0.0000 34353.8451 -149420.3541 300.0207 -183774.1992 -149321.0082 298.4223 167.0937 197.7143 556201.7817 7.2826 7.4001 PRESSURE: 2539000 -158.381 35.68 -45.7088 35.6804 68.2474 126.897 -45.7096 126.897 -116.469 GPRESSURE: 2539000 -143.463 91.6711 -69.4979 -21.191 52.7797 135.909 -30.3615 20.5886 -26.5306 PRESSAVG: 2539000 -85.3768 32.4817 -13.447 32.4817 47.7961 19.8064 -13.447 19.8064 55.3127 GPRESSAVG: 2539000 -85.5467 32.6326 -12.9023 30.0848 47.885 20.2441 -15.1313 17.7529 55.502 TIMING: 2539000 CPU: 7566.02, 0.00300172/step Wall: 7566.02, 0.00300172/step, 2.05201 hours remaining, 206.507812 MB of memory in use. ENERGY: 2539000 778.2580 2113.7079 1900.1192 113.9303 -206470.3755 17837.4994 0.0000 0.0000 34334.5395 -149392.3212 299.8521 -183726.8607 -149295.5525 298.9582 -68.8673 -39.0712 558791.2904 5.9107 5.9467 PRESSURE: 2539200 -305.416 -109.447 -46.0995 -109.448 -93.1764 4.21189 -46.0993 4.21116 -41.0439 GPRESSURE: 2539200 -232.998 -145.676 -92.3439 -65.0179 -44.8014 -40.7532 -37.8321 -58.721 -62.3409 PRESSAVG: 2539200 1.20445 54.9872 -12.2211 54.9871 28.3612 51.9573 -12.2212 51.9572 9.66558 GPRESSAVG: 2539200 2.31611 54.7875 -13.4464 56.7677 28.0524 51.5296 -11.0309 52.5813 8.65088 TIMING: 2539200 CPU: 7566.63, 0.00302623/step Wall: 7566.63, 0.00302623/step, 2.0686 hours remaining, 206.507812 MB of memory in use. ENERGY: 2539200 779.9445 2087.3142 1927.4131 116.7017 -206413.3168 17833.6826 0.0000 0.0000 34271.1293 -149397.1316 299.2983 -183668.2609 -149298.4694 299.6041 -146.5453 -113.3801 558039.4273 13.0771 13.0065 PRESSURE: 2539400 -121.721 9.46396 58.3905 9.46342 21.8652 -124.372 58.3902 -124.37 -327.912 GPRESSURE: 2539400 -115.59 36.186 61.696 77.3121 82.2766 -73.7208 68.5971 -82.2286 -303.695 PRESSAVG: 2539400 -7.01914 42.0326 -33.8146 42.0326 24.7063 5.11308 -33.8146 5.11295 -54.2219 GPRESSAVG: 2539400 -7.59064 42.305 -32.6223 43.9525 25.6034 4.21105 -34.7445 4.02152 -54.5128 TIMING: 2539400 CPU: 7567.23, 0.00302644/step Wall: 7567.23, 0.00302644/step, 2.06857 hours remaining, 206.507812 MB of memory in use. ENERGY: 2539400 761.9612 2173.3907 1927.1930 118.8148 -206266.4651 17488.4239 0.0000 0.0000 34450.0890 -149346.5925 300.8612 -183796.6815 -149250.7761 298.4292 -142.5893 -112.3360 557106.0798 -12.1783 -12.1667 PRESSURE: 2539600 103.913 82.7434 -217.727 82.7422 44.0192 -38.1957 -217.725 -38.1974 223.179 GPRESSURE: 2539600 91.8671 77.9016 -193.088 78.8933 107.005 -77.5643 -241.031 -39.1197 274.473 PRESSAVG: 2539600 20.09 8.85278 -23.0201 8.85272 -22.6605 -29.4441 -23.0201 -29.4441 23.8677 GPRESSAVG: 2539600 18.8765 8.80875 -24.8499 5.76825 -22.5376 -27.958 -20.6797 -28.1899 24.9257 TIMING: 2539600 CPU: 7567.83, 0.00300078/step Wall: 7567.83, 0.00300078/step, 2.05087 hours remaining, 206.507812 MB of memory in use. ENERGY: 2539600 750.3817 2096.0009 1949.8254 117.1055 -206006.0655 17859.7573 0.0000 0.0000 33964.7879 -149268.2068 296.6229 -183232.9947 -149174.6442 299.2479 123.7038 157.7815 554977.6917 7.0990 7.0882 PRESSURE: 2539800 -48.3544 1.74752 -26.3141 1.7474 28.6322 -77.3134 -26.3141 -77.3135 34.313 GPRESSURE: 2539800 45.2317 -26.1566 -16.0162 -46.1093 64.51 -132.756 -46.7942 -125.001 6.03304 PRESSAVG: 2539800 -31.3039 -48.0341 -44.0789 -48.0342 -24.6249 -36.026 -44.0789 -36.026 16.2797 GPRESSAVG: 2539800 -30.7397 -48.1261 -42.1707 -45.8999 -25.115 -37.3837 -44.9159 -35.4253 15.8484 TIMING: 2539800 CPU: 7568.43, 0.00299117/step Wall: 7568.43, 0.00299117/step, 2.04414 hours remaining, 206.507812 MB of memory in use. ENERGY: 2539800 729.0642 2110.5686 1973.2458 115.8982 -206192.0538 17774.5577 0.0000 0.0000 34102.3442 -149386.3753 297.8243 -183488.7195 -149292.5675 298.7845 4.8636 38.5916 555892.9162 -13.2164 -13.3354 PRESSURE: 2540000 116.592 -129.205 -43.8797 -129.205 -79.1008 94.2513 -43.8801 94.2505 405.995 GPRESSURE: 2540000 190.492 -130.167 -50.8258 -104.104 -92.0487 102.095 39.9997 67.8984 437.947 PRESSAVG: 2540000 10.1024 -35.1186 -6.29799 -35.1186 -25.4223 23.5319 -6.29813 23.5319 -1.71361 GPRESSAVG: 2540000 10.6879 -34.8236 -6.51714 -34.3233 -24.9821 22.0277 -6.16108 22.0328 -2.45413 TIMING: 2540000 CPU: 7569.03, 0.00299122/step Wall: 7569.03, 0.00299122/step, 2.044 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: 2540000 692.8132 2069.7266 1967.5690 114.5767 -206449.4007 17832.0607 0.0000 0.0000 34365.2620 -149407.3925 300.1204 -183772.6546 -149309.1772 298.8744 147.8287 178.7965 555442.6027 -5.6778 -5.5828 PRESSURE: 2540200 138.467 -64.9687 39.6613 -64.9675 -53.438 119.54 39.6612 119.54 134.326 GPRESSURE: 2540200 183.161 -52.4605 -24.5569 -14.2359 -5.33639 81.1568 120.899 103.478 151.095 PRESSAVG: 2540200 9.54093 36.1131 -53.7721 36.1131 -34.33 1.11204 -53.7722 1.11203 40.7793 GPRESSAVG: 2540200 9.46389 36.6288 -55.3703 36.1488 -34.3616 2.81669 -54.0002 -0.0388948 41.3542 TIMING: 2540200 CPU: 7569.63, 0.00299608/step Wall: 7569.63, 0.00299608/step, 2.04715 hours remaining, 206.507812 MB of memory in use. ENERGY: 2540200 758.4708 2106.7887 1935.1487 114.3213 -206387.2549 17845.3393 0.0000 0.0000 34284.1819 -149343.0042 299.4123 -183627.1861 -149242.8606 299.7022 73.1181 109.6398 556063.9492 5.3301 5.4855 LDB: ============= START OF LOAD BALANCING ============== 7573.06 LDB: ============== END OF LOAD BALANCING =============== 7573.06 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7573.06 LDB: ============= START OF LOAD BALANCING ============== 7573.36 LDB: Largest compute 4847 load 0.026141 is 22.2% of average load 0.117969 LDB: Average compute 0.001729 is 1.5% of average load 0.117969 LDB: TIME 7573.36 LOAD: AVG 0.117969 MAX 0.204489 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 7573.36 LOAD: AVG 0.117969 MAX 0.204489 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.422 MB LDB: TIME 7573.36 LOAD: AVG 0.117969 MAX 0.204489 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.422 MB LDB: ============== END OF LOAD BALANCING =============== 7573.37 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7573.37 PRESSURE: 2540400 141.813 -52.9412 87.092 -52.9408 -52.7283 -53.7879 87.0912 -53.7879 -0.0895295 GPRESSURE: 2540400 149.25 -87.6045 133.12 -61.0043 6.53359 -74.1422 6.87708 -80.9662 25.4918 PRESSAVG: 2540400 7.86552 28.6585 -28.7357 28.6585 -11.9014 -0.999836 -28.7356 -0.999933 10.4444 GPRESSAVG: 2540400 8.43124 27.7949 -26.4317 26.6162 -12.373 -1.04794 -29.4818 -1.29883 10.7822 TIMING: 2540400 CPU: 7570.24, 0.00305749/step Wall: 7570.24, 0.00305749/step, 2.08894 hours remaining, 206.500000 MB of memory in use. ENERGY: 2540400 745.2477 2057.1090 1975.6983 119.2152 -206680.2225 17993.8904 0.0000 0.0000 34493.7198 -149295.3420 301.2422 -183789.0618 -149200.7804 298.9377 29.6651 60.4250 557688.6731 2.1362 2.2801 PRESSURE: 2540600 85.2083 18.6696 -38.566 18.6706 2.75098 79.151 -38.5669 79.1517 182.146 GPRESSURE: 2540600 139.806 73.5736 -83.0202 104.474 -11.1583 104.48 45.9992 68.5092 244.981 PRESSAVG: 2540600 22.532 -8.71271 33.5572 -8.71272 -7.51216 -31.3822 33.5572 -31.3823 -10.3824 GPRESSAVG: 2540600 22.5285 -7.10534 31.7626 -6.37771 -7.80713 -31.8191 35.0522 -29.9642 -10.1522 TIMING: 2540600 CPU: 7570.84, 0.00299889/step Wall: 7570.84, 0.00299889/step, 2.04874 hours remaining, 206.703125 MB of memory in use. ENERGY: 2540600 693.3389 2116.5830 1958.4834 106.1348 -206150.5050 17845.7665 0.0000 0.0000 34193.6074 -149236.5909 298.6213 -183430.1983 -149145.1087 299.6515 90.0349 124.5428 556278.8157 1.5458 1.5231 PRESSURE: 2540800 -92.2751 -253.567 149.009 -253.567 146.734 92.6141 149.008 92.6152 89.4563 GPRESSURE: 2540800 -76.8582 -157.102 201.844 -320.424 147.106 144.454 85.0898 -11.5542 164.499 PRESSAVG: 2540800 8.0937 -13.1041 19.3851 -13.1042 53.8051 -43.0377 19.3851 -43.0376 -59.5809 GPRESSAVG: 2540800 7.07445 -13.5488 20.1186 -14.2337 55.1981 -43.616 18.2066 -42.9544 -60.0728 TIMING: 2540800 CPU: 7571.44, 0.00299124/step Wall: 7571.44, 0.00299124/step, 2.04335 hours remaining, 206.703125 MB of memory in use. ENERGY: 2540800 762.6676 2028.0788 1957.2938 108.1556 -205975.7390 17773.7803 0.0000 0.0000 34222.7168 -149123.0462 298.8755 -183345.7630 -149030.3746 299.6204 47.9717 78.2489 556343.9328 0.7727 0.7332 PRESSURE: 2541000 28.8928 -82.2737 97.8093 -82.2737 162.315 226.19 97.8089 226.19 -194.147 GPRESSURE: 2541000 26.5022 -6.44993 82.391 -126.282 244.689 206.856 67.2066 270.267 -174.154 PRESSAVG: 2541000 35.0551 7.60615 12.6466 7.60619 44.0184 15.0014 12.6466 15.0015 -28.9464 GPRESSAVG: 2541000 34.9943 6.55707 14.5044 8.91636 44.8406 15.2004 12.2118 13.9426 -29.6024 TIMING: 2541000 CPU: 7572.04, 0.00299296/step Wall: 7572.04, 0.00299296/step, 2.04436 hours remaining, 206.703125 MB of memory in use. ENERGY: 2541000 757.6530 2069.1400 1982.4883 114.1029 -206201.5847 17763.8613 0.0000 0.0000 34427.3816 -149086.9578 300.6629 -183514.3393 -148990.2287 299.8638 -0.9795 32.3457 554782.0536 16.7090 16.7442 PRESSURE: 2541200 -78.7756 134.774 -205.461 134.774 -335.012 -138.282 -205.461 -138.284 250.828 GPRESSURE: 2541200 -67.5577 182.275 -171.963 117.487 -276.201 -162.741 -213.297 -99.0847 285.091 PRESSAVG: 2541200 -0.81662 26.7733 7.19838 26.7732 8.622 47.243 7.19834 47.2429 -50.2371 GPRESSAVG: 2541200 -0.792307 26.6983 5.90693 27.0904 7.90958 46.1293 7.95339 49.5628 -50.1024 TIMING: 2541200 CPU: 7572.63, 0.00297164/step Wall: 7572.63, 0.00297164/step, 2.02963 hours remaining, 206.703125 MB of memory in use. ENERGY: 2541200 732.0718 2120.0256 1969.7474 114.3998 -205864.2641 17552.6200 0.0000 0.0000 34441.9971 -148933.4024 300.7905 -183375.3995 -148835.5042 299.9528 -54.3197 -19.5559 556318.2542 -14.1439 -14.3284 PRESSURE: 2541400 -43.965 -71.8482 -60.8406 -71.848 181.56 -55.9983 -60.8403 -55.9992 -82.5084 GPRESSURE: 2541400 -21.9601 -40.8481 -35.8502 -88.1307 218.225 -159.988 -11.0846 -50.8693 -58.1493 PRESSAVG: 2541400 61.6143 -39.4581 22.0972 -39.4582 -34.917 22.3109 22.0972 22.3108 -23.8022 GPRESSAVG: 2541400 62.7223 -40.9223 22.6318 -38.5932 -35.2083 22.0519 22.3235 21.8604 -24.2578 TIMING: 2541400 CPU: 7573.23, 0.00299485/step Wall: 7573.23, 0.00299485/step, 2.04532 hours remaining, 206.703125 MB of memory in use. ENERGY: 2541400 742.2195 2159.6585 1935.2476 106.4847 -206176.1338 17807.3192 0.0000 0.0000 34496.4470 -148928.7574 301.2661 -183425.2043 -148835.3495 300.4690 18.3621 46.0386 556952.5066 0.9651 1.0854 PRESSURE: 2541600 -214.92 -73.6853 110.389 -73.6853 113.456 93.7172 110.387 93.718 74.8021 GPRESSURE: 2541600 -147.843 -55.4204 91.6436 -16.3726 128.798 127.579 156.644 37.8004 88.1554 PRESSAVG: 2541600 31.1931 -21.2418 -28.9367 -21.2418 -40.1356 -21.9136 -28.9367 -21.9135 -2.80427 GPRESSAVG: 2541600 30.6532 -19.25 -28.9684 -22.9404 -39.6451 -18.8335 -28.6891 -23.6859 -2.62593 TIMING: 2541600 CPU: 7573.83, 0.00300452/step Wall: 7573.83, 0.00300452/step, 2.05175 hours remaining, 206.703125 MB of memory in use. ENERGY: 2541600 741.8153 2071.8773 1944.4449 117.5834 -205682.7844 17441.4799 0.0000 0.0000 34276.3674 -149089.2161 299.3440 -183365.5835 -148991.3885 300.0226 -8.8873 23.0369 556968.1847 -3.9156 -3.8726 PRESSURE: 2541800 56.326 2.50992 53.8239 2.51047 -152.271 -161.33 53.8232 -161.331 -88.3865 GPRESSURE: 2541800 106.845 -53.3843 89.3289 22.2561 -50.2121 -225.047 -23.7008 -133.382 -141.851 PRESSAVG: 2541800 47.3874 31.5733 39.3262 31.5734 -38.8271 -42.762 39.3262 -42.7621 -9.10095 GPRESSAVG: 2541800 45.8354 30.2222 39.3469 32.5543 -38.5199 -42.3502 37.062 -42.8087 -8.44959 TIMING: 2541800 CPU: 7574.43, 0.00299405/step Wall: 7574.43, 0.00299405/step, 2.04444 hours remaining, 206.703125 MB of memory in use. ENERGY: 2541800 747.1835 2049.5280 1939.1779 110.3361 -205905.7237 17578.0132 0.0000 0.0000 34392.1479 -149089.3371 300.3552 -183481.4850 -148995.7409 299.7575 -61.4440 -28.4058 555390.2595 -0.1802 -0.3780 PRESSURE: 2542000 -49.0709 113.862 95.2355 113.862 -138.839 246.529 95.237 246.528 78.8494 GPRESSURE: 2542000 -27.233 155.204 86.9327 53.0943 -39.457 188.112 49.8793 225.566 46.3661 PRESSAVG: 2542000 -14.1864 56.439 23.1956 56.4389 -45.1227 -25.4158 23.1956 -25.4158 44.2378 GPRESSAVG: 2542000 -13.0451 56.3245 23.7501 54.6705 -45.8456 -26.61 25.6691 -25.3992 43.6802 TIMING: 2542000 CPU: 7575.03, 0.00300974/step Wall: 7575.03, 0.00300974/step, 2.05498 hours remaining, 206.703125 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: 2542000 743.5977 2022.3961 1949.3267 108.4059 -205744.1034 17566.3623 0.0000 0.0000 34222.8867 -149131.1280 298.8770 -183354.0146 -149038.2670 299.7449 -36.3536 -6.7746 555832.3811 -5.0238 -5.0702 PRESSURE: 2542200 -102.88 12.0559 -100.763 12.0553 -78.2067 295.818 -100.764 295.816 -135.998 GPRESSURE: 2542200 -145.22 70.3719 -134.092 -55.3668 -11.3817 225.793 -40.46 344.691 -64.7392 PRESSAVG: 2542200 3.23123 42.0477 -38.6825 42.0476 -9.32653 47.5957 -38.6825 47.5956 9.53544 GPRESSAVG: 2542200 3.18254 40.9372 -40.5372 42.1378 -9.00039 48.0758 -38.3937 49.1346 9.50267 TIMING: 2542200 CPU: 7575.63, 0.0030013/step Wall: 7575.63, 0.0030013/step, 2.04906 hours remaining, 206.703125 MB of memory in use. ENERGY: 2542200 726.2369 2051.9378 1953.9438 108.7697 -205884.7814 17576.3267 0.0000 0.0000 34192.8411 -149274.7254 298.6146 -183467.5665 -149178.4106 298.9778 -105.6950 -73.7802 556917.5835 1.1467 1.2283 PRESSURE: 2542400 -146.274 -122.1 -156.831 -122.1 -232.847 42.1889 -156.831 42.1883 -56.3213 GPRESSURE: 2542400 -87.7347 -95.0793 -195.231 -139.417 -182.208 -26.7296 -101.255 33.8251 -60.5075 PRESSAVG: 2542400 30.982 -21.1222 -42.0049 -21.1222 -30.7133 -69.0108 -42.0048 -69.0108 11.5989 GPRESSAVG: 2542400 30.7777 -19.8022 -42.7927 -20.9391 -31.8169 -69.3314 -41.5451 -70.1338 12.1679 TIMING: 2542400 CPU: 7576.24, 0.0030307/step Wall: 7576.24, 0.0030307/step, 2.06896 hours remaining, 206.703125 MB of memory in use. ENERGY: 2542400 702.4479 2083.2551 1938.9738 102.6386 -205658.4337 17393.3086 0.0000 0.0000 34197.0003 -149240.8094 298.6509 -183437.8097 -149139.0028 299.1768 -145.1473 -110.1502 558999.7768 3.9559 3.7095 PRESSURE: 2542600 -89.846 214.872 -15.0574 214.872 -83.9686 -136.22 -15.059 -136.219 18.3699 GPRESSURE: 2542600 -64.1108 210.448 10.297 209.45 1.2029 -124.818 -28.9174 -103.32 6.30305 PRESSAVG: 2542600 8.55586 19.9585 -24.7783 19.9585 8.50739 -16.5746 -24.7783 -16.5747 7.26698 GPRESSAVG: 2542600 8.75555 19.1821 -22.8421 20.2302 9.17135 -16.8274 -25.7864 -15.5593 5.97386 TIMING: 2542600 CPU: 7576.84, 0.00301833/step Wall: 7576.84, 0.00301833/step, 2.06035 hours remaining, 206.703125 MB of memory in use. ENERGY: 2542600 760.7136 2121.4611 1906.5323 95.9693 -205723.5189 17547.5872 0.0000 0.0000 34196.6879 -149094.5675 298.6482 -183291.2554 -149002.1018 299.4573 -51.8149 -18.8683 559085.1303 8.1101 7.9669 PRESSURE: 2542800 -29.7951 36.9659 -104.545 36.9655 180.177 -61.2776 -104.546 -61.2769 -49.0521 GPRESSURE: 2542800 31.8714 102.052 -182.296 76.6229 174.701 -30.7972 -75.9102 -58.8665 -22.423 PRESSAVG: 2542800 -12.0998 5.94947 0.728966 5.94959 -4.8947 -15.1074 0.728886 -15.1073 17.1716 GPRESSAVG: 2542800 -12.2046 6.79341 1.53618 6.03986 -5.02267 -16.1118 -0.845355 -14.3089 16.6622 TIMING: 2542800 CPU: 7577.44, 0.00300884/step Wall: 7577.44, 0.00300884/step, 2.0537 hours remaining, 206.703125 MB of memory in use. ENERGY: 2542800 724.2801 2134.8889 1928.9018 112.8452 -205808.8861 17571.5444 0.0000 0.0000 34177.7304 -149158.6952 298.4826 -183336.4256 -149061.6377 298.8252 33.7766 61.3831 557635.1681 0.0590 -0.1884 PRESSURE: 2543000 -339.154 -10.3621 -0.478804 -10.3612 19.6423 -77.2848 -0.4777 -77.2835 -273.831 GPRESSURE: 2543000 -270.076 -58.8757 40.7428 -1.10039 -3.71833 -117.036 -127.13 -81.3148 -227.396 PRESSAVG: 2543000 48.9027 -16.0996 32.2149 -16.0997 9.79587 -111.441 32.2149 -111.441 -19.7814 GPRESSAVG: 2543000 47.9875 -16.1064 32.9209 -16.5876 10.4103 -112.279 33.1349 -111.395 -19.5342 TIMING: 2543000 CPU: 7578.05, 0.00301718/step Wall: 7578.05, 0.00301718/step, 2.05922 hours remaining, 206.703125 MB of memory in use. ENERGY: 2543000 731.5442 2067.9101 1935.9588 113.3284 -205853.5414 17503.3783 0.0000 0.0000 34275.3778 -149226.0437 299.3354 -183501.4215 -149123.6254 299.5736 -197.7808 -167.0634 557586.1739 12.9724 12.9545 PRESSURE: 2543200 207.986 11.2231 -1.29934 11.2237 -12.2882 -35.0823 -1.29949 -35.0823 172.925 GPRESSURE: 2543200 213.445 -18.7444 -21.0842 10.8505 28.8655 -159.418 72.4881 35.1276 214.366 PRESSAVG: 2543200 -52.1743 -11.6025 -13.7709 -11.6024 66.2703 -21.2077 -13.7708 -21.2076 -31.2718 GPRESSAVG: 2543200 -51.5558 -11.6125 -15.9893 -11.5281 66.2972 -17.7141 -14.3787 -24.9086 -31.6679 TIMING: 2543200 CPU: 7578.65, 0.00300711/step Wall: 7578.65, 0.00300711/step, 2.05218 hours remaining, 206.757812 MB of memory in use. ENERGY: 2543200 744.3854 2048.0792 1935.7415 116.7567 -206371.0897 17996.9367 0.0000 0.0000 34414.7818 -149114.4083 300.5528 -183529.1901 -149022.4807 299.3796 122.8743 152.2253 557703.6144 -5.7253 -5.6422 PRESSURE: 2543400 -60.9569 -15.6247 -101.236 -15.6221 -263.338 -59.0109 -101.235 -59.0104 -244.559 GPRESSURE: 2543400 -53.3029 -34.1185 -172.781 -77.0448 -202.51 -13.555 -23.8107 -104.699 -226.904 PRESSAVG: 2543400 -10.1941 37.9695 -12.0611 37.9695 -54.2386 -31.0956 -12.061 -31.0955 14.3946 GPRESSAVG: 2543400 -9.64762 37.3714 -12.1727 38.3183 -54.569 -31.683 -12.418 -30.1788 14.4319 TIMING: 2543400 CPU: 7579.25, 0.00300645/step Wall: 7579.25, 0.00300645/step, 2.05157 hours remaining, 206.757812 MB of memory in use. ENERGY: 2543400 749.3012 2188.2646 1940.3619 109.5138 -206052.2210 17578.4558 0.0000 0.0000 34190.6021 -149295.7215 298.5950 -183486.3237 -149194.0586 299.6739 -189.6178 -160.9054 557698.1653 -16.6794 -16.5949 PRESSURE: 2543600 59.0804 45.3196 -37.6129 45.3208 -23.8643 59.2061 -37.6125 59.2061 317.468 GPRESSURE: 2543600 84.0987 45.3059 -32.2753 47.3335 66.8356 141.722 -17.6136 68.2998 310.332 PRESSAVG: 2543600 8.6896 -27.7136 50.772 -27.7135 6.6477 -43.6454 50.7719 -43.6454 33.4552 GPRESSAVG: 2543600 9.45957 -26.0828 53.1773 -28.2406 6.33833 -43.6153 51.2102 -42.084 32.7352 TIMING: 2543600 CPU: 7579.85, 0.00301298/step Wall: 7579.85, 0.00301298/step, 2.05585 hours remaining, 206.757812 MB of memory in use. ENERGY: 2543600 743.4876 2120.0586 1938.1574 108.1517 -206639.9545 18089.4758 0.0000 0.0000 34336.1330 -149304.4905 299.8660 -183640.6235 -149207.8209 299.4880 117.5613 153.7553 556159.2639 16.2642 16.1777 PRESSURE: 2543800 140.533 -53.5872 -49.1933 -53.5874 1.10342 55.7241 -49.1938 55.7254 49.4753 GPRESSURE: 2543800 123.059 -31.6264 -49.3019 -86.8665 98.7647 43.6302 -28.753 98.5166 61.0458 PRESSAVG: 2543800 -31.8723 -5.03579 -8.84354 -5.03588 -15.4764 -40.6209 -8.84355 -40.6208 31.0765 GPRESSAVG: 2543800 -32.0068 -5.04121 -9.71801 -3.80351 -15.6803 -39.4174 -8.40434 -39.5982 31.5427 TIMING: 2543800 CPU: 7580.45, 0.00299731/step Wall: 7580.45, 0.00299731/step, 2.045 hours remaining, 206.757812 MB of memory in use. ENERGY: 2543800 726.9691 2096.1267 1924.2444 111.8500 -206459.1166 17932.3997 0.0000 0.0000 34178.4608 -149489.0659 298.4890 -183667.5267 -149391.9340 299.1436 63.7039 94.2897 556166.3470 -5.4240 -5.3815 PRESSURE: 2544000 -73.3913 -18.143 -27.7737 -18.1427 -84.8721 27.5276 -27.773 27.5285 -319.663 GPRESSURE: 2544000 0.0547294 -76.3462 -97.452 -64.1241 -69.6029 -55.9223 83.9046 36.1935 -322.889 PRESSAVG: 2544000 6.59199 29.165 32.7771 29.1649 -15.4942 -20.6019 32.777 -20.6018 12.6488 GPRESSAVG: 2544000 6.53205 30.7156 32.4456 27.1681 -15.8873 -20.8192 33.2778 -22.3974 12.7894 TIMING: 2544000 CPU: 7581.05, 0.00300083/step Wall: 7581.05, 0.00300083/step, 2.04723 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: 2544000 734.3725 2098.8508 1948.2699 118.5052 -205729.4274 17393.1181 0.0000 0.0000 33962.5160 -149473.7949 296.6031 -183436.3110 -149370.3451 298.6395 -159.3090 -130.8125 557177.8165 1.2489 1.1447 PRESSURE: 2544200 75.8225 -14.7356 153.611 -14.7348 47.2227 125.443 153.611 125.444 141.505 GPRESSURE: 2544200 113.853 -84.588 201.132 -3.50011 30.6318 139.981 73.9539 73.4618 213.661 PRESSAVG: 2544200 37.2881 -5.82317 7.0896 -5.82317 8.39788 -36.6173 7.08961 -36.6173 -49.4429 GPRESSAVG: 2544200 36.6605 -7.99564 6.65833 -3.84917 7.42077 -37.4766 8.94043 -36.2402 -47.7554 TIMING: 2544200 CPU: 7581.66, 0.00303502/step Wall: 7581.66, 0.00303502/step, 2.07039 hours remaining, 206.757812 MB of memory in use. ENERGY: 2544200 766.6078 2088.3338 1954.9984 114.4364 -206787.2961 18125.2933 0.0000 0.0000 34359.5003 -149378.1259 300.0701 -183737.6263 -149284.8635 298.4068 88.1834 119.3818 556376.3358 -1.2523 -1.2247 LDB: ============= START OF LOAD BALANCING ============== 7585.09 LDB: ============== END OF LOAD BALANCING =============== 7585.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7585.1 LDB: ============= START OF LOAD BALANCING ============== 7585.39 LDB: Largest compute 4849 load 0.026839 is 22.7% of average load 0.117999 LDB: Average compute 0.001722 is 1.5% of average load 0.117999 LDB: TIME 7585.4 LOAD: AVG 0.117999 MAX 0.201105 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.695 MB LDB: TIME 7585.4 LOAD: AVG 0.117999 MAX 0.201105 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.695 MB LDB: TIME 7585.4 LOAD: AVG 0.117999 MAX 0.201105 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.695 MB LDB: ============== END OF LOAD BALANCING =============== 7585.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7585.4 PRESSURE: 2544400 68.3017 107.57 45.7246 107.57 -88.8226 -10.1756 45.7246 -10.1753 -87.1315 GPRESSURE: 2544400 128.708 23.042 -2.91546 115.397 -98.6919 -75.6985 34.1517 22.1306 -46.4267 PRESSAVG: 2544400 -9.41963 -6.62013 1.09378 -6.62009 -64.7181 -35.7714 1.09365 -35.7713 72.7763 GPRESSAVG: 2544400 -9.35584 -8.02278 1.11524 -5.89751 -64.6498 -35.8609 0.171808 -35.5197 72.0417 TIMING: 2544400 CPU: 7582.27, 0.00307947/step Wall: 7582.27, 0.00307947/step, 2.10054 hours remaining, 206.128906 MB of memory in use. ENERGY: 2544400 763.3611 2074.7008 1937.6983 106.6318 -206470.1060 17930.4761 0.0000 0.0000 34150.8846 -149506.3533 298.2482 -183657.2379 -149411.3817 298.8067 -35.8842 -5.4700 557946.3628 -0.4538 -0.6546 PRESSURE: 2544600 -254.448 12.3893 -53.4137 12.3885 -115.718 -49.8084 -53.4141 -49.8059 -11.7554 GPRESSURE: 2544600 -226.187 -17.6524 -56.2153 15.5301 -89.667 -48.2604 -8.8742 -50.2208 30.5061 PRESSAVG: 2544600 13.5322 -28.6836 23.6039 -28.6836 0.231311 -57.4958 23.604 -57.4956 21.0825 GPRESSAVG: 2544600 13.6994 -28.0978 26.8788 -30.0187 -0.171004 -57.6398 21.0623 -56.7632 21.0525 TIMING: 2544600 CPU: 7582.87, 0.00299406/step Wall: 7582.87, 0.00299406/step, 2.04212 hours remaining, 206.128906 MB of memory in use. ENERGY: 2544600 739.5174 2088.0850 1935.4731 94.4794 -206028.5172 17701.0118 0.0000 0.0000 33932.1677 -149537.7829 296.3381 -183469.9506 -149433.1493 298.7265 -127.3070 -95.1160 558259.7275 11.6154 11.5270 PRESSURE: 2544800 62.2594 -4.68816 -101.045 -4.6869 -168.479 -88.0013 -101.046 -88.0028 -20.7899 GPRESSURE: 2544800 62.5815 124.836 -99.8125 -79.7877 -124.636 -61.9726 -149.644 -161.461 43.9439 PRESSAVG: 2544800 66.0107 -15.8179 32.0708 -15.8179 -23.7639 -58.3196 32.0707 -58.3196 -6.05668 GPRESSAVG: 2544800 65.8043 -14.1258 31.3924 -17.6045 -23.0897 -55.4802 33.3389 -60.4665 -6.34827 TIMING: 2544800 CPU: 7583.47, 0.00298875/step Wall: 7583.47, 0.00298875/step, 2.03833 hours remaining, 206.128906 MB of memory in use. ENERGY: 2544800 735.6608 2085.2452 1969.6286 106.3119 -206469.2287 17873.5844 0.0000 0.0000 34107.9565 -149590.8413 297.8733 -183698.7978 -149495.1833 298.1024 -42.3367 -6.0369 556577.9754 12.0634 12.1221 PRESSURE: 2545000 -17.5611 -189.199 -59.2565 -189.199 30.4644 104.506 -59.2554 104.506 -328.771 GPRESSURE: 2545000 -19.6792 -284.962 -47.1935 -95.1724 62.8466 162.894 -73.0751 119.314 -254.107 PRESSAVG: 2545000 9.37894 40.0312 44.7491 40.0311 -18.9391 -9.67638 44.7489 -9.67639 -28.1092 GPRESSAVG: 2545000 9.61433 40.2164 46.0504 40.6991 -19.3571 -10.887 42.6555 -10.3222 -27.6791 TIMING: 2545000 CPU: 7584.07, 0.00298509/step Wall: 7584.07, 0.00298509/step, 2.03566 hours remaining, 206.128906 MB of memory in use. ENERGY: 2545000 782.9952 2017.4790 1935.9465 122.8165 -206330.4212 17748.0955 0.0000 0.0000 34330.4670 -149392.6216 299.8165 -183723.0886 -149293.0612 299.0232 -105.2891 -70.3131 557738.7955 -12.5564 -12.4740 PRESSURE: 2545200 132.73 -29.1281 25.7617 -29.1263 60.2079 -146.537 25.7626 -146.536 43.0004 GPRESSURE: 2545200 116.98 -63.6683 -9.57441 -25.5172 109.545 -164.63 27.7156 -135.402 98.8766 PRESSAVG: 2545200 23.3166 -8.71051 30.3849 -8.71045 32.9889 -0.801441 30.3849 -0.801524 -47.7872 GPRESSAVG: 2545200 23.982 -8.13419 27.8249 -9.43615 33.1743 -2.94981 33.8584 2.99409 -47.7398 TIMING: 2545200 CPU: 7584.67, 0.00299064/step Wall: 7584.67, 0.00299064/step, 2.03928 hours remaining, 206.128906 MB of memory in use. ENERGY: 2545200 751.6534 2130.2402 1938.7432 112.9811 -206453.3176 17923.6715 0.0000 0.0000 34199.6297 -149396.3987 298.6739 -183596.0284 -149296.3908 298.5891 78.6461 108.4675 557103.0833 2.8394 3.1388 PRESSURE: 2545400 -15.6829 55.4761 177.235 55.4754 -186.785 68.2468 177.234 68.2468 -149.927 GPRESSURE: 2545400 21.048 85.0075 166.807 71.507 -134.425 86.0758 175.234 21.3513 -130.375 PRESSAVG: 2545400 12.9062 -21.2062 53.8398 -21.2062 56.9308 10.3561 53.8398 10.3561 -75.0803 GPRESSAVG: 2545400 10.8988 -22.928 52.6502 -19.428 58.2442 10.0578 53.2446 9.23578 -74.4727 TIMING: 2545400 CPU: 7585.27, 0.00299249/step Wall: 7585.27, 0.00299249/step, 2.04038 hours remaining, 206.128906 MB of memory in use. ENERGY: 2545400 779.9653 2054.9075 1972.1952 133.4282 -206511.0305 17725.7573 0.0000 0.0000 34411.8018 -149432.9751 300.5268 -183844.7769 -149336.3734 298.9597 -117.4649 -81.2505 556808.5287 -1.7478 -1.7766 PRESSURE: 2545600 219.411 48.4809 -7.58906 48.4812 161.661 118.739 -7.58744 118.738 4.69442 GPRESSURE: 2545600 279.753 70.0761 -16.5949 -26.2768 204.294 101.773 6.21219 113.979 -11.9937 PRESSAVG: 2545600 -11.1033 31.4801 69.1508 31.4801 43.9861 13.3043 69.1508 13.3043 -70.5524 GPRESSAVG: 2545600 -10.015 32.5271 71.551 30.036 43.5415 12.77 66.6842 11.0043 -70.7697 TIMING: 2545600 CPU: 7585.86, 0.00298358/step Wall: 7585.86, 0.00298358/step, 2.03414 hours remaining, 206.128906 MB of memory in use. ENERGY: 2545600 735.7497 2098.0423 1949.3448 114.4915 -206184.8544 17909.3256 0.0000 0.0000 33907.0777 -149470.8227 296.1189 -183377.9004 -149380.0604 298.9324 128.5886 157.3509 557022.5356 -12.5565 -12.4144 PRESSURE: 2545800 27.5677 99.6694 56.3112 99.6695 -112.11 -97.8905 56.3109 -97.8897 -19.2201 GPRESSURE: 2545800 29.3143 61.5624 63.199 1.85996 -71.0938 -97.3741 76.0602 -53.4326 26.6927 PRESSAVG: 2545800 25.2667 -24.0452 22.8503 -24.0453 32.7916 7.53614 22.8504 7.53619 -68.1817 GPRESSAVG: 2545800 24.9396 -25.7756 23.0242 -23.6266 33.825 11.005 23.1227 7.9856 -69.1337 TIMING: 2545800 CPU: 7586.46, 0.00299369/step Wall: 7586.46, 0.00299369/step, 2.04086 hours remaining, 206.128906 MB of memory in use. ENERGY: 2545800 738.7021 2032.8055 1921.7367 113.9869 -206395.9596 18054.3136 0.0000 0.0000 34179.3978 -149355.0171 298.4972 -183534.4149 -149255.6769 298.5352 -34.5876 -5.0290 558442.5475 -3.3745 -3.4564 PRESSURE: 2546000 2.87556 -67.0397 49.2389 -67.0387 3.86457 -72.3663 49.2397 -72.3659 -222.053 GPRESSURE: 2546000 9.88846 -70.1557 102.226 -23.0428 -5.46145 -59.564 111.391 -73.4928 -136.447 PRESSAVG: 2546000 80.4859 28.5836 55.9356 28.5836 -52.7807 -14.9489 55.9356 -14.9488 -13.61 GPRESSAVG: 2546000 81.118 28.9971 53.5843 29.0645 -54.6836 -17.0335 57.4309 -13.0783 -12.6537 TIMING: 2546000 CPU: 7587.06, 0.00298805/step Wall: 7587.06, 0.00298805/step, 2.03686 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: 2546000 718.5397 2140.3371 1937.9068 114.8094 -205921.4553 17557.7290 0.0000 0.0000 34120.9227 -149331.2105 297.9865 -183452.1332 -149234.8841 299.2035 -71.7709 -44.0067 558634.9888 4.6984 4.5936 PRESSURE: 2546200 54.7034 111.387 46.0849 111.387 76.9522 -101.878 46.0834 -101.877 -148.058 GPRESSURE: 2546200 66.6561 84.1135 75.4515 103.745 148.458 -157.309 17.947 -111.142 -130.052 PRESSAVG: 2546200 4.80764 39.4147 70.4234 39.4146 -24.8931 -78.0487 70.4234 -78.0487 -5.78961 GPRESSAVG: 2546200 5.14505 41.1052 70.3315 38.3568 -23.4157 -75.9814 70.5914 -82.0208 -7.05582 TIMING: 2546200 CPU: 7587.66, 0.00301998/step Wall: 7587.66, 0.00301998/step, 2.05845 hours remaining, 206.128906 MB of memory in use. ENERGY: 2546200 733.2357 2067.7193 1939.4716 133.7446 -206349.1629 17817.6849 0.0000 0.0000 34273.2547 -149384.0521 299.3169 -183657.3067 -149292.3842 298.7062 -5.4675 28.3539 558420.7664 -8.6250 -8.4422 PRESSURE: 2546400 -36.4817 48.3886 74.2445 48.3877 -103.157 -79.2285 74.2437 -79.2293 -165.851 GPRESSURE: 2546400 -10.0585 56.916 112.134 -7.62933 -108.542 -84.6703 -49.6413 -57.1794 -94.8471 PRESSAVG: 2546400 -24.9986 36.2535 41.2962 36.2535 -8.28761 -43.4999 41.2962 -43.4997 -23.8121 GPRESSAVG: 2546400 -25.1147 35.0394 41.891 36.1972 -9.3457 -45.3145 38.0978 -40.0109 -22.9175 TIMING: 2546400 CPU: 7588.27, 0.00301557/step Wall: 7588.27, 0.00301557/step, 2.05528 hours remaining, 206.128906 MB of memory in use. ENERGY: 2546400 759.5622 2098.8593 1967.9018 114.7503 -206208.7670 17620.6516 0.0000 0.0000 34168.3118 -149478.7301 298.4004 -183647.0419 -149376.2092 298.6084 -101.8299 -71.1492 557955.7931 -19.0328 -19.1260 PRESSURE: 2546600 228.862 20.3078 -161.598 20.3067 273.404 -75.0639 -161.597 -75.064 244.302 GPRESSURE: 2546600 250.315 -12.7834 -214.134 77.6235 308.664 -47.8416 -101.613 -90.9862 289.958 PRESSAVG: 2546600 3.13173 28.0513 -11.5918 28.0513 -33.4485 -9.92449 -11.5919 -9.92444 79.4931 GPRESSAVG: 2546600 2.81679 27.605 -12.3909 28.5184 -32.6908 -10.7972 -8.52187 -10.1963 78.7331 TIMING: 2546600 CPU: 7588.86, 0.00299849/step Wall: 7588.86, 0.00299849/step, 2.04347 hours remaining, 206.128906 MB of memory in use. ENERGY: 2546600 738.7607 2065.9756 1961.2951 114.4534 -206671.2791 18118.3888 0.0000 0.0000 34341.9931 -149330.4125 299.9172 -183672.4056 -149237.5484 298.7907 248.8564 282.9792 556638.5177 16.3921 16.2863 PRESSURE: 2546800 -183.806 56.7747 60.9361 56.7758 -234.206 5.94442 60.935 5.94395 -23.9435 GPRESSURE: 2546800 -170.891 39.6714 32.3079 41.871 -188.177 73.5856 119.418 -96.3954 13.4861 PRESSAVG: 2546800 -46.0572 -6.19389 -10.4072 -6.19383 -25.6146 17.8863 -10.4072 17.8864 64.7654 GPRESSAVG: 2546800 -45.0591 -4.24402 -9.48901 -6.15215 -27.41 18.8417 -12.3457 17.0271 65.1294 TIMING: 2546800 CPU: 7589.47, 0.00304717/step Wall: 7589.47, 0.00304717/step, 2.07648 hours remaining, 206.128906 MB of memory in use. ENERGY: 2546800 772.3363 2042.9832 1939.8254 104.1671 -206013.1222 17735.2654 0.0000 0.0000 34279.8516 -149138.6933 299.3745 -183418.5449 -149046.2216 299.8248 -147.3188 -115.1941 559097.6493 -2.3021 -2.4465 PRESSURE: 2547000 -8.82293 143.686 -30.6986 143.685 -81.2522 7.47005 -30.6986 7.46954 -234.993 GPRESSURE: 2547000 57.0276 162.041 53.169 155.089 -98.5469 -31.9767 7.0964 16.4038 -191.342 PRESSAVG: 2547000 0.215564 -33.8179 11.6791 -33.8179 1.89561 15.1989 11.6791 15.1989 -14.9214 GPRESSAVG: 2547000 -0.403577 -34.6557 11.5262 -32.4764 2.8197 14.4868 13.5537 15.9362 -15.5562 TIMING: 2547000 CPU: 7590.07, 0.00300124/step Wall: 7590.07, 0.00300124/step, 2.04501 hours remaining, 206.128906 MB of memory in use. ENERGY: 2547000 795.4459 2108.4159 1933.1463 109.2376 -205737.3273 17689.9887 0.0000 0.0000 34067.4928 -149033.6002 297.5199 -183101.0929 -148943.3265 298.9016 -108.3562 -77.6205 558195.5963 -4.2701 -4.3800 PRESSURE: 2547200 -128.282 -31.5105 131.361 -31.5099 -228.049 89.6021 131.362 89.602 -93.0335 GPRESSURE: 2547200 -104.697 -8.84053 102.42 41.9918 -191.691 3.25972 198.152 128.671 -58.1069 PRESSAVG: 2547200 70.1156 6.31401 27.8908 6.31401 -9.76379 29.8232 27.8908 29.8233 -56.6925 GPRESSAVG: 2547200 68.9917 5.21534 27.5831 6.3542 -9.60371 31.432 26.3718 27.805 -56.2789 TIMING: 2547200 CPU: 7590.67, 0.00296722/step Wall: 7590.67, 0.00296722/step, 2.02166 hours remaining, 206.128906 MB of memory in use. ENERGY: 2547200 733.9659 2035.0051 1947.3449 116.7308 -205985.3238 17634.0877 0.0000 0.0000 34308.7766 -149209.4129 299.6271 -183518.1895 -149112.9226 299.2586 -149.7881 -118.1647 559332.2328 1.2198 1.0364 PRESSURE: 2547400 140.931 129.233 269.338 129.233 -41.9687 46.5729 269.338 46.574 -125.149 GPRESSURE: 2547400 161.625 198.599 317.947 35.5421 8.42714 101.526 261.844 -6.98883 -96.1193 PRESSAVG: 2547400 17.2837 53.5161 51.3017 53.5161 50.2811 37.3335 51.3016 37.3335 -23.8749 GPRESSAVG: 2547400 16.4293 51.2079 50.2732 52.9126 51.1199 36.2872 54.6976 39.8511 -23.8391 TIMING: 2547400 CPU: 7591.27, 0.00299596/step Wall: 7591.27, 0.00299596/step, 2.04108 hours remaining, 206.128906 MB of memory in use. ENERGY: 2547400 713.4962 2085.1653 1934.6162 104.6711 -206199.1547 17644.9973 0.0000 0.0000 34395.1253 -149321.0833 300.3812 -183716.2086 -149222.0972 298.9661 -8.7291 24.6443 557848.8708 14.5633 14.5700 PRESSURE: 2547600 -151.359 -56.8594 29.051 -56.8589 -79.8456 46.59 29.0507 46.5908 229.039 GPRESSURE: 2547600 -90.0012 6.4139 -37.512 0.345044 -100.254 138.705 53.4323 13.8896 270.303 PRESSAVG: 2547600 58.9884 -13.2215 1.3581 -13.2215 -2.35459 -12.6802 1.35801 -12.6803 -11.4228 GPRESSAVG: 2547600 60.2131 -9.86576 4.53975 -13.4319 -2.84459 -12.2879 -3.24834 -14.8906 -12.0505 TIMING: 2547600 CPU: 7591.87, 0.00299705/step Wall: 7591.87, 0.00299705/step, 2.04166 hours remaining, 206.128906 MB of memory in use. ENERGY: 2547600 715.4794 2101.9551 1940.5114 112.7569 -206398.5461 17877.7821 0.0000 0.0000 34106.2106 -149543.8507 297.8580 -183650.0613 -149448.8982 299.4608 -0.7216 26.6826 557723.1318 15.0703 15.1060 PRESSURE: 2547800 -212.259 -59.8232 95.6351 -59.8234 -106.502 44.6001 95.6353 44.6007 -218.177 GPRESSURE: 2547800 -193.102 -34.4543 54.0109 -108.276 -12.775 102.021 121.632 -23.1095 -230.503 PRESSAVG: 2547800 -8.09477 -8.28857 -57.786 -8.28862 0.510994 46.922 -57.786 46.922 1.08119 GPRESSAVG: 2547800 -8.63956 -8.32677 -62.2043 -8.46175 0.592429 47.7375 -53.5844 46.8849 1.49086 TIMING: 2547800 CPU: 7592.46, 0.00298641/step Wall: 7592.46, 0.00298641/step, 2.03424 hours remaining, 206.128906 MB of memory in use. ENERGY: 2547800 747.5720 2018.2369 1966.0631 113.4494 -205880.3421 17532.8655 0.0000 0.0000 34100.7052 -149401.4499 297.8099 -183502.1552 -149306.8764 298.6782 -178.9793 -145.4601 558153.6847 -2.1675 -2.1854 PRESSURE: 2548000 -146.974 153.306 141.791 153.307 -131.228 -17.0808 141.792 -17.0819 21.0404 GPRESSURE: 2548000 -129.394 152.6 98.2952 22.9005 -53.0684 -22.3673 174.18 41.7343 17.7515 PRESSAVG: 2548000 11.1526 -0.903929 17.0271 -0.903788 -47.391 24.1424 17.0271 24.1424 54.6225 GPRESSAVG: 2548000 11.0773 -1.19466 17.815 -1.12001 -47.3344 22.8039 16.3795 26.834 54.5062 TIMING: 2548000 CPU: 7593.07, 0.00300621/step Wall: 7593.07, 0.00300621/step, 2.04756 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: 2548000 747.0237 2082.7596 1957.3797 132.7480 -206318.7226 17717.3066 0.0000 0.0000 34218.8546 -149462.6503 298.8418 -183681.5049 -149364.6752 299.3177 -85.7206 -54.9036 558168.1840 6.1280 6.0830 PRESSURE: 2548200 -218.141 -89.6781 81.3878 -89.6782 -376.997 192.294 81.387 192.295 121.577 GPRESSURE: 2548200 -217.746 -44.1556 105.513 -138.896 -380.983 182.232 49.5712 189.112 212.227 PRESSAVG: 2548200 -14.2015 20.405 6.65816 20.405 -42.665 45.9752 6.65813 45.9752 63.1898 GPRESSAVG: 2548200 -14.468 20.5656 9.08188 19.841 -43.0857 43.6018 4.03448 45.7014 64.2293 TIMING: 2548200 CPU: 7593.67, 0.00302868/step Wall: 7593.67, 0.00302868/step, 2.0627 hours remaining, 206.128906 MB of memory in use. ENERGY: 2548200 765.2371 2103.2510 1944.5758 116.1055 -206282.7557 17708.4589 0.0000 0.0000 34157.2167 -149487.9107 298.3035 -183645.1274 -149388.5150 298.5832 -157.8538 -128.8342 559194.7483 2.1078 2.2252 LDB: ============= START OF LOAD BALANCING ============== 7597.1 LDB: ============== END OF LOAD BALANCING =============== 7597.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7597.1 LDB: ============= START OF LOAD BALANCING ============== 7597.4 LDB: Largest compute 4849 load 0.027917 is 23.6% of average load 0.118105 LDB: Average compute 0.001722 is 1.5% of average load 0.118105 LDB: TIME 7597.4 LOAD: AVG 0.118105 MAX 0.20335 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.668 MB LDB: TIME 7597.4 LOAD: AVG 0.118105 MAX 0.20335 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.668 MB LDB: TIME 7597.4 LOAD: AVG 0.118105 MAX 0.20335 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.668 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7597.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7597.41 PRESSURE: 2548400 126.781 42.2825 27.079 42.2826 39.3272 -134.783 27.0796 -134.783 -88.7864 GPRESSURE: 2548400 158.714 42.1956 63.0859 16.4106 123.776 -17.9218 37.0113 -166.039 -101.131 PRESSAVG: 2548400 13.9422 -46.1874 -40.1168 -46.1875 -42.3249 -22.5848 -40.1168 -22.5848 38.7613 GPRESSAVG: 2548400 14.8713 -47.799 -42.3305 -44.0598 -42.3704 -19.3843 -37.5757 -23.2594 37.9042 TIMING: 2548400 CPU: 7594.28, 0.0030371/step Wall: 7594.28, 0.0030371/step, 2.06826 hours remaining, 207.210938 MB of memory in use. ENERGY: 2548400 756.5938 2110.8606 1951.7614 113.2850 -206560.0493 17941.7573 0.0000 0.0000 34040.8121 -149644.9791 297.2869 -183685.7912 -149549.9345 298.1723 25.7740 60.4531 557529.1247 3.4595 3.4684 PRESSURE: 2548600 226.577 -32.7652 140.674 -32.766 -11.6627 -19.9535 140.674 -19.9529 79.3777 GPRESSURE: 2548600 246.051 -92.9375 92.6433 16.6844 85.8206 54.015 195.847 -25.578 49.2683 PRESSAVG: 2548600 98.3903 -43.0251 27.8732 -43.0251 -66.5675 -52.1091 27.8732 -52.1091 -39.3912 GPRESSAVG: 2548600 97.207 -41.6129 29.6234 -45.0776 -65.3857 -52.9345 26.6366 -52.6544 -38.6647 TIMING: 2548600 CPU: 7594.88, 0.00298498/step Wall: 7594.88, 0.00298498/step, 2.03261 hours remaining, 207.281250 MB of memory in use. ENERGY: 2548600 758.5057 2113.6039 1961.3738 116.7240 -207038.7415 18299.0414 0.0000 0.0000 34070.1327 -149719.3600 297.5429 -183789.4927 -149626.4240 297.6500 98.0972 127.0467 557778.9772 -2.5228 -2.2811 PRESSURE: 2548800 -18.0715 9.53628 17.4817 9.53581 -98.9683 -186.787 17.4844 -186.787 -234.689 GPRESSURE: 2548800 7.40889 63.3771 -17.5053 7.95983 -52.3249 -222.995 23.4175 -109.986 -214.991 PRESSAVG: 2548800 55.862 -16.2256 -25.2994 -16.2255 2.83883 -84.0718 -25.2993 -84.0717 -22.8586 GPRESSAVG: 2548800 56.5551 -16.7734 -26.1028 -15.0907 3.19537 -83.6006 -23.7288 -83.0977 -23.6189 TIMING: 2548800 CPU: 7595.47, 0.00296659/step Wall: 7595.47, 0.00296659/step, 2.01992 hours remaining, 207.281250 MB of memory in use. ENERGY: 2548800 744.3891 2024.3286 1928.2441 119.0989 -206179.4575 17669.8189 0.0000 0.0000 33956.7981 -149736.7797 296.5532 -183693.5778 -149638.0350 297.7075 -117.2430 -86.6356 557299.3045 11.9474 12.0439 PRESSURE: 2549000 -386.425 61.4467 -29.666 61.4469 -32.6456 65.1383 -29.6663 65.1394 376.595 GPRESSURE: 2549000 -361.242 80.2102 61.9252 74.3188 -19.7345 19.3839 -60.7991 91.7016 450.74 PRESSAVG: 2549000 10.8045 -8.25167 -48.5085 -8.25173 19.502 -25.225 -48.5085 -25.2251 -5.94128 GPRESSAVG: 2549000 10.984 -10.8158 -49.4896 -7.42498 19.0894 -27.3091 -51.1419 -25.0709 -4.97875 TIMING: 2549000 CPU: 7596.07, 0.00298321/step Wall: 7596.07, 0.00298321/step, 2.03107 hours remaining, 207.281250 MB of memory in use. ENERGY: 2549000 765.7686 2048.9842 1924.7330 105.6263 -206904.2102 17966.0482 0.0000 0.0000 34138.6532 -149954.3967 298.1413 -184093.0499 -149859.2219 297.3350 -14.1584 23.2544 556267.3601 8.1217 8.3649 PRESSURE: 2549200 -4.50654 89.6795 11.0531 89.6801 -99.4222 -9.43795 11.0535 -9.4361 235.364 GPRESSURE: 2549200 89.5416 109.431 -114.87 94.843 -59.2804 13.9857 146.717 2.60894 201.374 PRESSAVG: 2549200 -4.70603 -8.9076 31.1667 -8.9076 -48.1008 44.8486 31.1668 44.8484 44.074 GPRESSAVG: 2549200 -4.64918 -5.51081 32.1771 -10.1447 -48.5819 47.2408 32.4586 44.8799 44.0683 TIMING: 2549200 CPU: 7596.67, 0.00299907/step Wall: 7596.67, 0.00299907/step, 2.0417 hours remaining, 207.281250 MB of memory in use. ENERGY: 2549200 753.8611 2089.9892 1965.3742 114.9274 -207117.8583 18035.0649 0.0000 0.0000 34285.1135 -149873.5281 299.4204 -184158.6416 -149775.2288 297.0897 43.8116 77.2118 554637.0140 -2.9110 -3.0543 PRESSURE: 2549400 -71.2924 -14.1323 -107.285 -14.132 157.02 -26.1406 -107.285 -26.1407 -3.33968 GPRESSURE: 2549400 -29.5562 30.7397 -100.619 -39.5734 185.388 -49.7282 -130.851 19.4916 21.1554 PRESSAVG: 2549400 6.57227 19.1619 -5.09212 19.1619 -3.05814 6.48067 -5.09213 6.48069 -22.5129 GPRESSAVG: 2549400 6.3059 19.1205 -6.62089 20.0896 -3.07043 6.12638 -5.10871 6.95997 -22.7597 TIMING: 2549400 CPU: 7597.27, 0.00301594/step Wall: 7597.27, 0.00301594/step, 2.05302 hours remaining, 207.281250 MB of memory in use. ENERGY: 2549400 742.5828 2059.0538 1938.0565 101.6652 -206345.1884 17883.5428 0.0000 0.0000 34018.7868 -149601.5006 297.0945 -183620.2874 -149507.1404 297.8304 27.4627 58.9958 556449.6098 -6.3329 -6.5081 PRESSURE: 2549600 147.307 -4.50691 -51.0085 -4.506 19.1755 -31.162 -51.0093 -31.161 161.245 GPRESSURE: 2549600 165.793 -64.1759 36.7512 66.6131 32.7582 -130.247 -47.2589 23.6199 220.741 PRESSAVG: 2549600 63.5556 -17.2228 -56.6129 -17.2228 -55.7344 44.0776 -56.613 44.0775 -18.3627 GPRESSAVG: 2549600 63.9239 -18.6539 -56.0876 -19.4462 -56.118 45.3255 -56.72 42.9477 -17.9815 TIMING: 2549600 CPU: 7597.87, 0.00301901/step Wall: 7597.87, 0.00301901/step, 2.05494 hours remaining, 207.281250 MB of memory in use. ENERGY: 2549600 731.5054 2096.6588 1940.1293 116.0184 -206555.8559 18003.8316 0.0000 0.0000 34215.6432 -149452.0693 298.8137 -183667.7125 -149353.9091 297.9975 109.2427 139.7639 555865.5326 -3.5138 -3.3918 PRESSURE: 2549800 42.5229 -45.0016 -133.395 -45.0026 359.08 -11.5591 -133.395 -11.561 288.559 GPRESSURE: 2549800 72.1064 -122.264 -150.706 15.809 336.217 7.63978 -142.219 -0.0689743 381.116 PRESSAVG: 2549800 6.0587 -23.0959 -7.56606 -23.0959 10.8198 8.72247 -7.56604 8.72238 3.23597 GPRESSAVG: 2549800 5.59068 -22.9084 -7.5499 -21.9539 11.6638 8.25001 -6.35624 8.40049 3.15346 TIMING: 2549800 CPU: 7598.48, 0.00301652/step Wall: 7598.48, 0.00301652/step, 2.05308 hours remaining, 207.281250 MB of memory in use. ENERGY: 2549800 691.8212 2051.5724 1932.9698 103.9923 -206234.2389 17993.1371 0.0000 0.0000 34065.6345 -149395.1115 297.5037 -183460.7461 -149301.8243 298.3382 230.0538 263.1465 556652.0428 6.7048 6.8026 PRESSURE: 2550000 136.36 -66.1608 64.3827 -66.1606 9.28072 -1.97408 64.3821 -1.97517 19.0712 GPRESSURE: 2550000 175.983 -50.771 3.59898 -69.1809 49.4665 -10.6932 124.277 -7.65786 20.0218 PRESSAVG: 2550000 5.39285 -39.0321 -11.5354 -39.0321 52.9658 -3.53132 -11.5354 -3.53127 -54.3881 GPRESSAVG: 2550000 5.1987 -37.4947 -9.52342 -39.5541 52.8941 -3.50109 -15.6478 -4.13792 -53.9168 TIMING: 2550000 CPU: 7599.08, 0.00303432/step Wall: 7599.08, 0.00303432/step, 2.06502 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: 2550000 738.7448 2095.9010 1963.1932 120.0902 -206359.8427 17808.8336 0.0000 0.0000 34343.4759 -149289.6041 299.9301 -183633.0800 -149193.1718 298.8360 54.9039 81.8237 555631.7308 1.3235 1.3920 PRESSURE: 2550200 26.7536 -13.5446 -64.982 -13.5452 -47.9346 27.4966 -64.9812 27.497 130.18 GPRESSURE: 2550200 55.2084 -66.4089 -86.6032 3.94108 -14.3538 45.925 -60.4209 43.1226 155.139 PRESSAVG: 2550200 13.6144 -48.7584 1.74941 -48.7584 21.2261 40.616 1.74938 40.616 -16.8962 GPRESSAVG: 2550200 14.3001 -50.0892 -0.132096 -47.153 21.7619 41.0886 4.84494 41.7127 -18.1223 TIMING: 2550200 CPU: 7599.68, 0.00300133/step Wall: 7599.68, 0.00300133/step, 2.0424 hours remaining, 207.281250 MB of memory in use. ENERGY: 2550200 742.0089 2093.7317 1944.1159 108.6306 -205687.9706 17571.8501 0.0000 0.0000 34153.7694 -149073.8639 298.2734 -183227.6333 -148976.4654 299.6206 36.3331 65.3313 556469.2641 5.9814 5.9799 PRESSURE: 2550400 -323.083 -79.9452 -23.7148 -79.9465 -88.9434 -15.132 -23.7158 -15.1325 -102.577 GPRESSURE: 2550400 -241.045 -0.817626 84.7796 -12.0541 -68.7292 -86.1479 -48.5818 7.91605 -109.573 PRESSAVG: 2550400 -27.0902 16.7108 -23.5991 16.7108 98.9294 12.662 -23.5992 12.662 -55.2551 GPRESSAVG: 2550400 -27.2348 15.0861 -20.73 17.073 97.7365 12.15 -24.3423 11.1036 -53.9159 TIMING: 2550400 CPU: 7600.29, 0.0030237/step Wall: 7600.29, 0.0030237/step, 2.05746 hours remaining, 207.281250 MB of memory in use. ENERGY: 2550400 764.5160 2060.9055 1962.6510 115.8927 -206007.0260 17599.2387 0.0000 0.0000 34441.3905 -149062.4317 300.7852 -183503.8222 -148971.0727 300.0431 -171.5344 -139.7825 556107.9078 5.5280 5.5286 PRESSURE: 2550600 141.574 -261.926 -26.5413 -261.927 220.497 7.99468 -26.54 7.99597 -131.906 GPRESSURE: 2550600 119.318 -281.895 -24.9178 -180.287 287.155 9.30138 -69.6252 98.2321 -74.3488 PRESSAVG: 2550600 -24.7008 -30.4084 -52.622 -30.4084 1.86578 16.4984 -52.6219 16.4983 9.67407 GPRESSAVG: 2550600 -24.5403 -30.5954 -55.9807 -31.7962 1.96203 16.517 -52.3134 18.2238 9.54944 TIMING: 2550600 CPU: 7600.89, 0.00301978/step Wall: 7600.89, 0.00301978/step, 2.05463 hours remaining, 207.281250 MB of memory in use. ENERGY: 2550600 724.2649 2100.0629 1973.0928 120.1394 -206502.9713 18048.4143 0.0000 0.0000 34418.1420 -149118.8549 300.5822 -183536.9970 -149024.0493 299.9671 76.7215 110.7081 557281.7500 -4.3870 -4.3429 PRESSURE: 2550800 194.546 -100.832 35.2402 -100.832 376.613 -171.105 35.2389 -171.104 180.729 GPRESSURE: 2550800 261.06 -22.1733 54.1654 -191.65 394.876 -218.899 22.6158 -175.073 203.481 PRESSAVG: 2550800 86.6805 -28.784 11.5164 -28.784 -0.506662 39.2577 11.5164 39.2578 -69.8932 GPRESSAVG: 2550800 85.8459 -27.2069 13.2616 -29.5277 1.06612 37.8113 10.52 37.9211 -70.6259 TIMING: 2550800 CPU: 7601.49, 0.00299365/step Wall: 7601.49, 0.00299365/step, 2.03668 hours remaining, 207.281250 MB of memory in use. ENERGY: 2550800 723.1239 2101.4396 1958.9290 112.3474 -206588.3138 18204.7503 0.0000 0.0000 34297.9302 -149189.7934 299.5324 -183487.7236 -149089.8768 299.9193 250.6294 286.4722 556353.6814 5.4269 5.4287 PRESSURE: 2551000 16.2634 156.956 21.3637 156.957 184.606 -226.101 21.365 -226.103 -220.22 GPRESSURE: 2551000 5.424 92.9395 6.40842 140.734 217.298 -243.906 0.426824 -168.971 -155.453 PRESSAVG: 2551000 -5.80121 -33.2821 17.5979 -33.2821 -7.15173 -40.0564 17.5979 -40.0566 6.52887 GPRESSAVG: 2551000 -4.63172 -34.3615 17.5504 -33.1255 -8.75455 -37.9627 17.9719 -41.7075 6.71366 TIMING: 2551000 CPU: 7602.08, 0.00296625/step Wall: 7602.08, 0.00296625/step, 2.01788 hours remaining, 207.281250 MB of memory in use. ENERGY: 2551000 773.1250 2082.5480 1964.4622 115.4953 -206160.0252 17872.8798 0.0000 0.0000 34176.0073 -149175.5076 298.4676 -183351.5149 -149084.0058 299.8026 -6.4501 22.4227 558040.1173 -2.1414 -2.2242 PRESSURE: 2551200 -56.1482 -116.953 -6.89148 -116.953 206.035 5.42717 -6.89078 5.42702 -92.7137 GPRESSURE: 2551200 -20.4658 -96.2386 40.0495 -125.552 254.158 -33.9258 -55.6255 38.2904 -77.1658 PRESSAVG: 2551200 -74.37 20.3523 22.3297 20.3523 65.6914 -64.7817 22.3298 -64.7817 30.7493 GPRESSAVG: 2551200 -75.8528 22.1273 19.7102 19.0614 66.944 -65.4091 22.063 -63.1289 31.208 TIMING: 2551200 CPU: 7602.68, 0.0030016/step Wall: 7602.68, 0.0030016/step, 2.04176 hours remaining, 207.281250 MB of memory in use. ENERGY: 2551200 793.1415 2096.6124 1976.4937 119.2920 -206586.1031 18002.9312 0.0000 0.0000 34413.8555 -149183.7768 300.5448 -183597.6323 -149093.7760 299.9223 19.0576 52.1756 557713.4363 7.3569 7.4331 PRESSURE: 2551400 142.834 16.6018 19.9937 16.6011 -55.4229 -165.23 19.9943 -165.23 -84.7752 GPRESSURE: 2551400 152.981 58.6264 -115.707 26.0981 19.0314 -140.353 75.3722 -135.065 -67.9307 PRESSAVG: 2551400 -54.2135 11.8851 -6.16455 11.8851 76.5627 0.138839 -6.1646 0.138955 1.7287 GPRESSAVG: 2551400 -52.7632 11.6857 -7.45594 14.1165 75.7117 -0.746342 -6.46768 0.788584 0.740156 TIMING: 2551400 CPU: 7603.29, 0.0030163/step Wall: 7603.29, 0.0030163/step, 2.05159 hours remaining, 207.281250 MB of memory in use. ENERGY: 2551400 732.1236 2026.8732 1949.1689 115.6287 -206201.3254 17741.3944 0.0000 0.0000 34478.2769 -149157.8597 301.1074 -183636.1365 -149057.8238 300.0305 0.8786 34.6938 557721.7211 8.0260 7.8962 PRESSURE: 2551600 -34.4709 30.2684 -31.3464 30.2688 -370.622 69.2 -31.3455 69.2008 40.0311 GPRESSURE: 2551600 10.0339 69.3848 -61.983 -119.441 -296.275 97.7759 -32.8519 13.0913 30.1191 PRESSAVG: 2551600 37.4012 -18.3131 18.5489 -18.3131 -3.1085 -38.2471 18.5488 -38.2471 -33.5968 GPRESSAVG: 2551600 36.7245 -15.8799 22.663 -20.1128 -2.04925 -36.4495 19.5673 -41.3385 -33.6662 TIMING: 2551600 CPU: 7603.89, 0.00301932/step Wall: 7603.89, 0.00301932/step, 2.05347 hours remaining, 207.281250 MB of memory in use. ENERGY: 2551600 765.8080 2104.8027 1948.5782 118.7406 -206157.4541 17637.6134 0.0000 0.0000 34212.4111 -149369.5000 298.7855 -183581.9111 -149273.2606 299.1154 -121.6874 -85.3741 557453.0325 0.2320 0.3363 PRESSURE: 2551800 -147.674 30.8125 -135.51 30.8113 -9.87181 61.0645 -135.51 61.0653 -534.294 GPRESSURE: 2551800 -110.42 20.1318 -32.9988 65.9194 4.196 88.2812 -149.008 84.7562 -490.425 PRESSAVG: 2551800 36.5572 19.3286 5.08793 19.3285 -74.987 -35.1906 5.08802 -35.1908 3.85768 GPRESSAVG: 2551800 37.3136 18.8105 2.9983 20.7682 -75.908 -37.5044 5.24695 -32.0618 3.57104 TIMING: 2551800 CPU: 7604.49, 0.00301256/step Wall: 7604.49, 0.00301256/step, 2.04871 hours remaining, 207.281250 MB of memory in use. ENERGY: 2551800 765.7065 2050.6863 1934.3950 103.0496 -206139.0323 17494.0952 0.0000 0.0000 34384.9762 -149406.1235 300.2925 -183791.0997 -149309.9543 299.1799 -230.6131 -198.8829 558232.9539 -11.5240 -11.6745 PRESSURE: 2552000 -375.264 -126.322 -52.8386 -126.321 -99.6739 -47.2837 -52.8376 -47.2837 -57.6183 GPRESSURE: 2552000 -331.514 -120.403 -100.862 -58.8572 -113.905 -2.74374 16.6696 -10.863 20.181 PRESSAVG: 2552000 21.8986 -8.90269 12.0185 -8.90266 31.6075 39.1731 12.0185 39.1731 -79.4191 GPRESSAVG: 2552000 21.4137 -10.6649 12.4694 -9.94905 31.3185 39.7977 12.9062 38.636 -78.853 TIMING: 2552000 CPU: 7605.1, 0.00302298/step Wall: 7605.1, 0.00302298/step, 2.05562 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: 2552000 737.2205 2030.3597 1934.7211 104.8257 -205997.7222 17568.8192 0.0000 0.0000 34300.4815 -149321.2945 299.5546 -183621.7760 -149215.4725 298.9497 -177.5186 -141.7460 557586.3893 -8.6377 -8.7069 PRESSURE: 2552200 -380.825 -22.0189 26.8351 -22.0179 -42.224 35.7053 26.8337 35.7052 -126.733 GPRESSURE: 2552200 -340.169 -10.155 -21.6805 -39.1241 16.2137 61.9203 59.0571 73.2521 -132.334 PRESSAVG: 2552200 -11.6428 -6.67135 -8.23404 -6.67133 -6.65125 13.4428 -8.23404 13.4429 25.6559 GPRESSAVG: 2552200 -11.7924 -6.87445 -7.66843 -5.59126 -6.16525 13.9805 -8.02829 13.1034 25.3888 TIMING: 2552200 CPU: 7605.7, 0.00302449/step Wall: 7605.7, 0.00302449/step, 2.05648 hours remaining, 207.281250 MB of memory in use. ENERGY: 2552200 735.0920 2069.3508 1982.7227 119.5214 -205701.7444 17467.9486 0.0000 0.0000 34073.5472 -149253.5618 297.5728 -183327.1090 -149156.7436 299.4828 -183.2606 -152.0962 558701.2783 2.4539 2.4770 LDB: ============= START OF LOAD BALANCING ============== 7609.13 LDB: ============== END OF LOAD BALANCING =============== 7609.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7609.13 LDB: ============= START OF LOAD BALANCING ============== 7609.44 LDB: Largest compute 4849 load 0.027786 is 23.5% of average load 0.118081 LDB: Average compute 0.001726 is 1.5% of average load 0.118081 LDB: TIME 7609.44 LOAD: AVG 0.118081 MAX 0.205242 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 7609.44 LOAD: AVG 0.118081 MAX 0.205242 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.152 MB LDB: TIME 7609.44 LOAD: AVG 0.118081 MAX 0.205242 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.152 MB LDB: ============== END OF LOAD BALANCING =============== 7609.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7609.45 PRESSURE: 2552400 61.7959 -137.252 -13.6961 -137.253 -276.577 -69.7094 -13.695 -69.7101 73.9372 GPRESSURE: 2552400 89.4705 -114.04 -49.746 -127.885 -229.573 -114.653 24.3586 -48.9115 98.8468 PRESSAVG: 2552400 1.48143 -40.573 12.5432 -40.5729 -43.0773 18.6434 12.5433 18.6434 21.9101 GPRESSAVG: 2552400 1.30307 -41.4467 11.3505 -41.6393 -42.5671 17.3903 12.6522 19.7637 21.3462 TIMING: 2552400 CPU: 7606.32, 0.00306661/step Wall: 7606.32, 0.00306661/step, 2.08496 hours remaining, 205.734375 MB of memory in use. ENERGY: 2552400 743.2603 2058.6162 1938.9126 116.9060 -206103.4436 17894.2394 0.0000 0.0000 34033.4863 -149318.0228 297.2229 -183351.5091 -149225.6651 298.3692 -46.9478 -13.7519 558337.7692 -6.5619 -6.6393 PRESSURE: 2552600 75.6527 27.0457 -57.3988 27.0463 -147.401 101.191 -57.3992 101.191 -181.545 GPRESSURE: 2552600 71.3313 -49.1 -51.4322 -41.1451 -135.692 164.428 -64.6337 71.8806 -83.2401 PRESSAVG: 2552600 5.04915 -28.2557 -7.02948 -28.2558 -27.4578 -23.7073 -7.02954 -23.7072 52.8089 GPRESSAVG: 2552600 4.48418 -29.5791 -3.53517 -28.1603 -28.1093 -21.8362 -10.2791 -25.3493 53.8887 TIMING: 2552600 CPU: 7606.92, 0.0030205/step Wall: 7606.92, 0.0030205/step, 2.05343 hours remaining, 205.734375 MB of memory in use. ENERGY: 2552600 729.3711 2104.9546 1961.3444 119.5484 -206181.0847 17636.5171 0.0000 0.0000 34268.6959 -149360.6533 299.2770 -183629.3492 -149265.1629 298.7151 -84.4314 -49.2004 556982.9612 10.1334 10.0879 PRESSURE: 2552800 329.335 -160.014 67.6809 -160.014 301.672 -64.8146 67.68 -64.8148 116.771 GPRESSURE: 2552800 354.988 -148.714 120.907 -210.191 350.688 -51.6371 21.085 -46.3187 132.187 PRESSAVG: 2552800 -29.3653 27.3114 2.48262 27.3114 81.3163 -9.70779 2.4826 -9.70774 -12.9286 GPRESSAVG: 2552800 -29.1937 28.4435 1.08276 25.9265 82.5917 -11.464 3.25782 -7.63686 -14.308 TIMING: 2552800 CPU: 7607.52, 0.00298051/step Wall: 7607.52, 0.00298051/step, 2.02609 hours remaining, 205.734375 MB of memory in use. ENERGY: 2552800 757.9318 2085.4274 1960.9554 96.6046 -206496.4812 18199.8771 0.0000 0.0000 34047.2513 -149348.4337 297.3431 -183395.6850 -149247.8671 298.7524 249.2595 279.2875 556149.1852 13.0075 13.0300 PRESSURE: 2553000 176.531 197.589 -20.339 197.589 -195.675 -69.4555 -20.338 -69.4556 -124.852 GPRESSURE: 2553000 156.473 203.839 28.4508 192.67 -145.599 -68.2519 15.3218 -132.578 -57.0756 PRESSAVG: 2553000 5.63203 1.04423 0.548915 1.04414 65.2908 1.547 0.548869 1.54699 -67.154 GPRESSAVG: 2553000 5.56798 2.04369 -0.187976 3.47659 64.9207 3.64952 2.44749 0.626227 -66.9928 TIMING: 2553000 CPU: 7608.11, 0.0029837/step Wall: 7608.11, 0.0029837/step, 2.02809 hours remaining, 205.734375 MB of memory in use. ENERGY: 2553000 715.8910 2115.6529 1943.4240 114.7842 -205957.0817 17721.2032 0.0000 0.0000 33995.7933 -149350.3331 296.8937 -183346.1264 -149254.0959 298.4278 -47.9987 -15.4007 558651.0917 1.2563 1.1653 PRESSURE: 2553200 -257.457 29.901 -100.963 29.9018 20.9176 125.71 -100.963 125.71 -121.609 GPRESSURE: 2553200 -194.434 4.83219 8.71895 32.782 61.8317 112.296 -174.551 86.2518 -135.112 PRESSAVG: 2553200 29.2856 35.7649 22.8974 35.765 83.7933 -33.5628 22.8974 -33.5629 -72.0798 GPRESSAVG: 2553200 29.4008 36.0459 24.1782 33.0775 84.0339 -30.1554 20.6716 -36.4486 -71.8957 TIMING: 2553200 CPU: 7608.71, 0.00299101/step Wall: 7608.71, 0.00299101/step, 2.03289 hours remaining, 205.734375 MB of memory in use. ENERGY: 2553200 756.2694 2059.7588 1951.7517 98.2732 -206138.6101 17561.0320 0.0000 0.0000 34265.0491 -149446.4757 299.2452 -183711.5249 -149352.8394 298.5025 -119.3827 -89.2378 556956.0317 13.6664 13.8463 PRESSURE: 2553400 40.9572 23.1966 90.4801 23.1952 -103.903 162.865 90.4802 162.864 128.831 GPRESSURE: 2553400 129.33 -15.1509 112.799 14.4611 -105.641 128.897 39.3044 101.014 132.888 PRESSAVG: 2553400 -0.88822 93.6131 25.8352 93.6131 69.1449 -17.8512 25.8352 -17.8512 -55.1974 GPRESSAVG: 2553400 -1.6408 91.279 24.5625 94.2684 69.2331 -19.7111 28.1121 -15.4557 -54.5012 TIMING: 2553400 CPU: 7609.31, 0.00298488/step Wall: 7609.31, 0.00298488/step, 2.02856 hours remaining, 205.734375 MB of memory in use. ENERGY: 2553400 737.2396 2093.5830 1934.2006 110.0237 -206547.0079 17885.2023 0.0000 0.0000 34276.6918 -149510.0668 299.3469 -183786.7586 -149422.4849 298.8740 21.9617 52.1922 556653.0800 4.3531 4.3637 PRESSURE: 2553600 -189.661 -15.448 -137.613 -15.4483 300.328 -33.0776 -137.612 -33.0785 30.0055 GPRESSURE: 2553600 -135.86 5.34728 -113.797 -61.213 319.482 -68.1293 -120.177 -30.6763 46.4966 PRESSAVG: 2553600 -37.049 5.03245 25.2866 5.03244 32.203 -53.3553 25.2866 -53.3553 -4.62135 GPRESSAVG: 2553600 -35.3302 4.13628 25.8081 6.01516 31.3637 -55.3459 24.4601 -51.5766 -5.50938 TIMING: 2553600 CPU: 7609.9, 0.0029597/step Wall: 7609.9, 0.0029597/step, 2.01128 hours remaining, 205.734375 MB of memory in use. ENERGY: 2553600 745.3097 2072.1981 1993.6783 121.5685 -206516.3938 17889.8129 0.0000 0.0000 34272.8153 -149421.0110 299.3130 -183693.8263 -149329.1829 298.6823 46.8909 76.7062 556708.5509 -3.1558 -3.1586 PRESSURE: 2553800 53.0764 112.794 218.702 112.794 -254.12 -82.8443 218.702 -82.8439 -190.86 GPRESSURE: 2553800 2.91039 117.628 202.944 79.14 -134.383 -25.4796 199.071 -118.72 -176.522 PRESSAVG: 2553800 40.3942 9.81249 21.9988 9.81244 -11.7439 -14.5055 21.9987 -14.5055 -42.4629 GPRESSAVG: 2553800 39.915 9.82192 20.934 9.04085 -11.1798 -15.1584 24.4931 -15.5965 -43.056 TIMING: 2553800 CPU: 7610.5, 0.00298917/step Wall: 7610.5, 0.00298917/step, 2.03114 hours remaining, 205.734375 MB of memory in use. ENERGY: 2553800 738.1685 2062.3418 1935.4665 126.2748 -206117.7203 17564.9648 0.0000 0.0000 34386.6088 -149303.8950 300.3068 -183690.5039 -149208.3911 298.9167 -130.6345 -102.6648 557945.2801 -4.6042 -4.7736 PRESSURE: 2554000 -174.534 -17.0474 14.576 -17.0474 -53.6426 -17.1971 14.5756 -17.1971 26.848 GPRESSURE: 2554000 -115.975 -117.678 54.5415 23.6404 -96.2729 31.182 -42.8103 -124.791 98.7231 PRESSAVG: 2554000 -4.39482 7.81938 40.0645 7.81936 -22.8482 -21.0266 40.0645 -21.0265 61.6918 GPRESSAVG: 2554000 -4.35971 7.6963 41.6655 7.07547 -23.5919 -19.8118 36.1222 -21.7721 62.6114 TIMING: 2554000 CPU: 7611.09, 0.00297504/step Wall: 7611.09, 0.00297504/step, 2.02138 hours remaining, 205.734375 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: 2554000 773.9645 2084.2418 1946.9423 105.8715 -206289.0843 17813.0988 0.0000 0.0000 34247.6860 -149317.2794 299.0936 -183564.9654 -149219.4752 299.6027 -67.1096 -37.8417 557400.7890 11.4829 11.5533 PRESSURE: 2554200 30.9979 30.712 -48.9592 30.7123 188.123 -31.4326 -48.9589 -31.4316 136.802 GPRESSURE: 2554200 67.907 60.4267 -6.90318 -46.0708 212.614 28.1635 -89.676 -124.175 167.216 PRESSAVG: 2554200 5.93551 -32.7802 3.70813 -32.7803 -4.64959 13.7404 3.70812 13.7405 -5.3026 GPRESSAVG: 2554200 5.87103 -30.1607 3.16751 -31.9244 -3.94874 14.6495 3.08589 13.8649 -5.90869 TIMING: 2554200 CPU: 7611.69, 0.00298278/step Wall: 7611.69, 0.00298278/step, 2.02647 hours remaining, 205.734375 MB of memory in use. ENERGY: 2554200 734.9395 2154.8824 1949.3026 106.4972 -206149.3679 17782.1503 0.0000 0.0000 34158.1856 -149263.4103 298.3119 -183421.5959 -149164.5360 298.8704 118.6407 149.2456 555796.2742 -1.3389 -1.3288 PRESSURE: 2554400 -4.21017 -43.16 30.3297 -43.1599 -75.3662 -161.735 30.3291 -161.735 304.072 GPRESSURE: 2554400 19.773 -9.54238 74.8016 -60.2917 -34.8381 -144.526 17.4317 -151.832 326.017 PRESSAVG: 2554400 -96.0319 35.8556 -37.2915 35.8555 32.8847 -54.1709 -37.2915 -54.1708 51.8021 GPRESSAVG: 2554400 -94.8813 35.7797 -35.1021 35.1124 32.3134 -56.2766 -36.3506 -52.3105 51.411 TIMING: 2554400 CPU: 7612.28, 0.00297484/step Wall: 7612.28, 0.00297484/step, 2.02091 hours remaining, 205.734375 MB of memory in use. ENERGY: 2554400 735.3147 2139.7619 1935.7510 123.0713 -206504.6361 18055.5734 0.0000 0.0000 34263.1303 -149252.0336 299.2284 -183515.1639 -149152.2878 298.9330 74.8319 103.6508 557347.0371 -3.7817 -3.7190 PRESSURE: 2554600 -35.69 23.2932 44.2832 23.2932 23.5183 -14.1955 44.2819 -14.1946 53.6039 GPRESSURE: 2554600 -19.3284 46.4604 30.8727 21.4463 69.8782 7.66972 5.06623 -35.1586 92.8837 PRESSAVG: 2554600 6.85924 22.5006 -10.7608 22.5006 -5.55781 -91.6988 -10.7608 -91.6988 -19.547 GPRESSAVG: 2554600 5.90434 21.3633 -12.9758 22.2941 -5.50253 -89.6727 -10.74 -93.2381 -18.6059 TIMING: 2554600 CPU: 7612.88, 0.00295799/step Wall: 7612.88, 0.00295799/step, 2.0093 hours remaining, 205.734375 MB of memory in use. ENERGY: 2554600 756.1518 2048.8989 1957.5617 100.8658 -206609.6982 17950.2347 0.0000 0.0000 34293.1888 -149502.7964 299.4909 -183795.9853 -149402.2500 298.6536 13.8108 47.8111 556213.5436 -6.0819 -6.0680 PRESSURE: 2554800 -161.687 -49.6727 -106.352 -49.6729 -54.1264 -56.7348 -106.353 -56.7355 -117.574 GPRESSURE: 2554800 -150.615 72.3594 -153.269 -81.0468 -14.396 -105.475 -87.3768 3.82493 -76.0066 PRESSAVG: 2554800 -44.1802 17.5819 -5.64436 17.5818 17.4092 -12.0071 -5.64435 -12.0072 7.97411 GPRESSAVG: 2554800 -44.002 16.7432 -6.47593 19.207 17.3431 -11.0887 -5.15439 -12.2076 7.84688 TIMING: 2554800 CPU: 7613.47, 0.00298228/step Wall: 7613.47, 0.00298228/step, 2.02563 hours remaining, 205.734375 MB of memory in use. ENERGY: 2554800 730.4178 2146.6793 1970.3493 121.9906 -206123.2713 17550.8269 0.0000 0.0000 33846.5960 -149756.4114 295.5907 -183603.0074 -149665.1976 297.9341 -111.1294 -80.3393 557549.6493 -6.2656 -6.2707 PRESSURE: 2555000 -148.098 -75.3241 12.9514 -75.325 -104.685 126.505 12.9502 126.503 61.8344 GPRESSURE: 2555000 -48.7831 -179.828 49.1728 -90.8492 -79.7151 107.667 -54.4774 190.52 30.7489 PRESSAVG: 2555000 -53.4704 -36.6328 -3.40926 -36.6327 8.00095 26.6807 -3.40929 26.6808 44.0798 GPRESSAVG: 2555000 -54.1463 -38.2285 -2.50508 -37.0155 9.08582 25.3589 -5.63246 27.9063 43.3164 TIMING: 2555000 CPU: 7614.07, 0.00298786/step Wall: 7614.07, 0.00298786/step, 2.02925 hours remaining, 205.734375 MB of memory in use. ENERGY: 2555000 788.6497 2079.4448 1970.9952 122.2740 -206483.1576 17726.9879 0.0000 0.0000 34094.3901 -149700.4158 297.7548 -183794.8059 -149612.6457 297.8001 -63.6494 -32.5831 556935.7287 -0.4632 -0.5814 PRESSURE: 2555200 90.7191 -78.1145 -54.4918 -78.1153 397.666 -13.734 -54.4914 -13.7344 204.146 GPRESSURE: 2555200 127.735 -68.2021 42.6901 -22.8257 425.117 -29.9054 7.92323 13.8442 229.627 PRESSAVG: 2555200 73.129 -1.91184 -37.5911 -1.91191 20.8578 36.9678 -37.591 36.9677 -25.4548 GPRESSAVG: 2555200 74.0933 1.50383 -36.5706 -2.84064 19.56 36.8969 -36.7483 35.0667 -25.4376 TIMING: 2555200 CPU: 7614.67, 0.00297786/step Wall: 7614.67, 0.00297786/step, 2.02229 hours remaining, 205.734375 MB of memory in use. ENERGY: 2555200 756.9552 2109.7465 1943.6391 105.6599 -206897.3859 18225.2813 0.0000 0.0000 34159.5371 -149596.5670 298.3237 -183756.1041 -149497.8515 298.3970 230.8436 260.8263 556146.6970 22.8440 22.7386 PRESSURE: 2555400 1.68318 46.46 1.33332 46.46 102.259 38.9498 1.33338 38.9487 124.803 GPRESSURE: 2555400 73.5991 29.4072 -81.0994 61.4137 130.414 18.5501 -27.5709 43.6467 123.107 PRESSAVG: 2555400 21.8833 47.7039 8.1561 47.7039 15.6666 -39.012 8.15618 -39.0121 -60.7752 GPRESSAVG: 2555400 21.5376 46.8413 6.59504 48.9073 15.9942 -39.2635 7.87045 -39.5205 -61.044 TIMING: 2555400 CPU: 7615.26, 0.0029756/step Wall: 7615.26, 0.0029756/step, 2.0206 hours remaining, 205.734375 MB of memory in use. ENERGY: 2555400 750.2313 2122.1164 1951.7087 114.7892 -206301.9178 17810.1324 0.0000 0.0000 34052.6563 -149500.2836 297.3903 -183552.9400 -149403.3442 298.7488 76.2483 109.0401 555788.0043 -7.7418 -7.8374 PRESSURE: 2555600 -180.405 -84.6724 167.344 -84.6709 150.675 -29.4735 167.344 -29.4733 150.546 GPRESSURE: 2555600 -85.5467 -208.188 159.279 -25.2111 138.349 -108.03 136.694 74.6295 158.966 PRESSAVG: 2555600 -10.1141 36.2831 3.84411 36.2831 55.9341 15.546 3.84412 15.5459 -22.2514 GPRESSAVG: 2555600 -9.92157 34.8984 4.96635 36.5197 55.5454 15.6683 5.47733 16.3547 -21.6124 TIMING: 2555600 CPU: 7615.86, 0.00297541/step Wall: 7615.86, 0.00297541/step, 2.0203 hours remaining, 205.734375 MB of memory in use. ENERGY: 2555600 782.9078 2092.2459 1964.2533 106.0435 -206643.1223 17981.3417 0.0000 0.0000 34235.7742 -149480.5560 298.9895 -183716.3302 -149378.4135 298.7641 40.2720 70.5894 556527.6142 7.8562 8.0038 PRESSURE: 2555800 111.462 140.625 -13.2965 140.625 249.322 -18.0356 -13.2967 -18.0362 -50.1353 GPRESSURE: 2555800 132.048 145.382 -12.5865 130.114 260.454 -7.3225 -5.23168 6.23997 29.2095 PRESSAVG: 2555800 -0.956481 9.28672 -21.0673 9.28675 25.3524 -59.4643 -21.0672 -59.4641 -17.3587 GPRESSAVG: 2555800 -1.0229 9.38829 -22.3617 7.89463 24.7998 -62.272 -22.7183 -58.0378 -16.3589 TIMING: 2555800 CPU: 7616.45, 0.00298769/step Wall: 7616.45, 0.00298769/step, 2.02847 hours remaining, 205.734375 MB of memory in use. ENERGY: 2555800 772.1068 2134.1681 1953.2925 113.3419 -206653.1677 18047.5015 0.0000 0.0000 34263.8841 -149368.8727 299.2350 -183632.7568 -149271.7701 298.5703 103.5495 140.5704 557423.1056 2.3457 2.4727 PRESSURE: 2556000 22.7135 -89.5459 98.253 -89.5449 93.5467 73.7135 98.2546 73.7145 78.2266 GPRESSURE: 2556000 -27.5141 -110.608 4.08275 -30.7493 182.755 44.7443 120.83 132.093 138.684 PRESSAVG: 2556000 -14.5392 2.12148 -38.9162 2.12158 63.7593 20.1061 -38.9161 20.1061 -18.3762 GPRESSAVG: 2556000 -15.4795 2.18571 -38.9691 2.30094 64.6655 22.8675 -39.2974 20.8262 -18.4174 TIMING: 2556000 CPU: 7617.05, 0.00298327/step Wall: 7617.05, 0.00298327/step, 2.02531 hours remaining, 205.734375 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: 2556000 718.7004 2089.8757 1941.7361 113.8032 -206227.4663 17943.6713 0.0000 0.0000 34218.3587 -149201.3210 298.8374 -183419.6796 -149097.1578 299.2858 64.8290 97.9750 557751.1849 10.2813 10.2562 PRESSURE: 2556200 22.5616 -52.1899 -168.768 -52.1884 143.059 75.9878 -168.769 75.9885 218.91 GPRESSURE: 2556200 16.2288 -12.924 -207.267 -39.4757 210.765 6.53144 -99.4097 72.7981 258.801 PRESSAVG: 2556200 -49.6662 30.3832 -10.6452 30.3834 42.6569 33.6615 -10.6453 33.6614 -28.1202 GPRESSAVG: 2556200 -48.705 31.3406 -9.59076 30.5327 43.6479 32.6406 -9.58575 30.793 -30.3983 TIMING: 2556200 CPU: 7617.65, 0.00299781/step Wall: 7617.65, 0.00299781/step, 2.03501 hours remaining, 205.734375 MB of memory in use. ENERGY: 2556200 753.0366 2080.9980 1952.6989 110.2030 -206321.8405 18014.4412 0.0000 0.0000 34365.8885 -149044.5742 300.1259 -183410.4627 -148945.8390 299.4564 128.1772 161.9317 558905.8164 -11.7098 -11.8185 LDB: ============= START OF LOAD BALANCING ============== 7621.08 LDB: ============== END OF LOAD BALANCING =============== 7621.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7621.08 LDB: ============= START OF LOAD BALANCING ============== 7621.38 LDB: Largest compute 4847 load 0.026993 is 22.9% of average load 0.118079 LDB: Average compute 0.001727 is 1.5% of average load 0.118079 LDB: TIME 7621.38 LOAD: AVG 0.118079 MAX 0.20349 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 7621.38 LOAD: AVG 0.118079 MAX 0.20349 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: TIME 7621.38 LOAD: AVG 0.118079 MAX 0.20349 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: ============== END OF LOAD BALANCING =============== 7621.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7621.39 PRESSURE: 2556400 241.697 -150.263 -160.424 -150.263 -36.9957 126.212 -160.425 126.212 51.8327 GPRESSURE: 2556400 219.307 -118.584 -136.755 -136.009 56.6372 80.0082 -160.416 154.623 89.3137 PRESSAVG: 2556400 48.8393 -12.2449 -1.88173 -12.2449 6.15226 15.0245 -1.88177 15.0246 -51.5818 GPRESSAVG: 2556400 48.7977 -11.6805 -3.40308 -13.9435 5.48503 15.4212 -0.810982 14.5266 -50.4658 TIMING: 2556400 CPU: 7618.26, 0.00305053/step Wall: 7618.26, 0.00305053/step, 2.07063 hours remaining, 206.710938 MB of memory in use. ENERGY: 2556400 728.8333 2120.5595 1935.7331 115.9885 -206322.3882 18044.7748 0.0000 0.0000 34337.8511 -149038.6478 299.8810 -183376.4990 -148933.9943 300.5601 85.5112 121.7525 558048.5429 1.1366 1.2723 PRESSURE: 2556600 15.2786 72.6339 245.373 72.6339 -71.1157 8.96556 245.373 8.96618 8.65478 GPRESSURE: 2556600 45.5614 98.7467 156.591 73.8291 -4.20483 -51.2204 295.147 59.3259 26.1345 PRESSAVG: 2556600 18.3465 -11.0627 -2.23928 -11.0627 -29.3799 7.37335 -2.23931 7.37336 55.4605 GPRESSAVG: 2556600 18.8682 -10.9985 -2.84253 -11.7183 -28.9842 7.40716 -2.75005 10.2284 54.1629 TIMING: 2556600 CPU: 7618.86, 0.00301736/step Wall: 7618.86, 0.00301736/step, 2.04795 hours remaining, 206.914062 MB of memory in use. ENERGY: 2556600 715.9732 2099.5410 1918.1821 111.5104 -206180.3921 17755.9635 0.0000 0.0000 34334.9766 -149244.2453 299.8559 -183579.2219 -149140.2824 299.8959 -15.7274 22.4970 558753.8610 14.8090 14.6823 PRESSURE: 2556800 148.891 117.025 -9.57914 117.027 167.721 218.219 -9.58007 218.218 148.332 GPRESSURE: 2556800 216.305 127.481 -52.3954 77.2938 165.698 218.732 31.8329 181.216 180.843 PRESSAVG: 2556800 56.7163 -8.37026 -25.8848 -8.3703 -33.6415 1.64757 -25.8849 1.64755 -29.2403 GPRESSAVG: 2556800 56.6186 -9.02586 -26.0422 -5.41703 -33.5119 -0.0464781 -25.5775 0.832478 -29.1637 TIMING: 2556800 CPU: 7619.46, 0.00297296/step Wall: 7619.46, 0.00297296/step, 2.01765 hours remaining, 206.914062 MB of memory in use. ENERGY: 2556800 736.0367 2124.9418 1948.0496 127.1039 -206648.1242 18084.3510 0.0000 0.0000 34368.5534 -149259.0877 300.1491 -183627.6411 -149167.1174 299.2926 154.9816 187.6158 556619.7596 -2.0552 -2.0190 PRESSURE: 2557000 29.2524 -90.1584 -13.3732 -90.1589 269.533 -8.83348 -13.3723 -8.83434 -354.486 GPRESSURE: 2557000 69.3847 -46.6322 8.37519 -119.122 283.374 40.1663 -49.9741 -18.9005 -315.902 PRESSAVG: 2557000 41.4285 10.1144 -45.1165 10.1143 -31.2192 11.1991 -45.1166 11.1991 20.3922 GPRESSAVG: 2557000 41.8877 8.55313 -42.4331 7.94056 -32.189 14.6998 -46.4723 10.2724 20.4578 TIMING: 2557000 CPU: 7620.06, 0.00298619/step Wall: 7620.06, 0.00298619/step, 2.02646 hours remaining, 206.914062 MB of memory in use. ENERGY: 2557000 764.1231 2081.2418 1953.9070 126.1961 -206663.7724 18068.3717 0.0000 0.0000 34454.9835 -149214.9492 300.9039 -183669.9327 -149115.7276 298.9867 -18.5669 12.2857 558836.8196 10.2005 10.0522 PRESSURE: 2557200 210.3 11.4937 25.9823 11.4935 -111.683 59.6903 25.9825 59.6894 -37.0312 GPRESSURE: 2557200 248.111 -34.0906 -61.389 54.56 -61.9979 52.9669 118.915 95.8669 -31.2695 PRESSAVG: 2557200 8.97815 16.6153 -4.50409 16.6152 -2.52327 -16.7157 -4.50412 -16.7157 -37.4091 GPRESSAVG: 2557200 7.32139 18.4139 -4.93624 17.3084 -1.53141 -17.7207 -3.41184 -16.7823 -36.4216 TIMING: 2557200 CPU: 7620.66, 0.00302432/step Wall: 7620.66, 0.00302432/step, 2.05217 hours remaining, 206.914062 MB of memory in use. ENERGY: 2557200 721.3756 2130.1510 1943.2858 113.6731 -206241.1598 17920.5207 0.0000 0.0000 34256.6383 -149155.5153 299.1717 -183412.1536 -149052.3469 299.6154 20.5288 51.6144 558340.1390 -10.3181 -10.2105 PRESSURE: 2557400 94.4914 93.7102 -10.9017 93.709 216.622 39.5081 -10.901 39.5082 -5.9688 GPRESSURE: 2557400 117.069 58.9845 -11.9359 57.3679 225.533 33.1191 2.71895 12.492 59.8586 PRESSAVG: 2557400 59.0684 25.5307 -68.3092 25.5308 10.8909 21.1427 -68.3093 21.1427 -23.8765 GPRESSAVG: 2557400 59.4407 24.3145 -68.2554 24.5625 11.4424 19.5061 -68.7628 20.746 -24.8173 TIMING: 2557400 CPU: 7621.26, 0.00299782/step Wall: 7621.26, 0.00299782/step, 2.03402 hours remaining, 206.914062 MB of memory in use. ENERGY: 2557400 736.8533 2092.7787 1909.6825 112.3331 -206298.0110 18011.6272 0.0000 0.0000 34374.3091 -149060.4272 300.1994 -183434.7363 -148967.0513 300.1267 101.7149 134.1535 556628.7684 15.3609 15.3553 PRESSURE: 2557600 -99.8546 -81.0438 16.5597 -81.0437 -188.93 93.0364 16.5591 93.0352 24.3261 GPRESSURE: 2557600 -69.6728 -110.005 -1.73637 -74.4431 -177.524 195.308 -28.3396 80.5817 87.9966 PRESSAVG: 2557600 -7.80374 -4.56871 -29.4909 -4.56875 -14.8649 33.3106 -29.491 33.3106 19.9321 GPRESSAVG: 2557600 -7.35367 -3.84115 -29.753 -2.71637 -16.5546 33.7637 -27.9556 34.2462 21.1723 TIMING: 2557600 CPU: 7621.86, 0.00301468/step Wall: 7621.86, 0.00301468/step, 2.04529 hours remaining, 206.914062 MB of memory in use. ENERGY: 2557600 766.2809 2103.8964 1957.0194 103.3356 -206058.0847 17767.6208 0.0000 0.0000 34215.5883 -149144.3433 298.8132 -183359.9316 -149050.9668 299.6126 -88.1529 -53.0666 557518.2027 -0.9122 -0.9120 PRESSURE: 2557800 -14.1631 -12.3165 66.4712 -12.316 -228.611 -142.666 66.4696 -142.666 -244.782 GPRESSURE: 2557800 56.8089 18.5466 106.242 -20.2091 -187.667 -167.831 51.0718 -141.846 -273.537 PRESSAVG: 2557800 41.3073 -46.3219 8.46202 -46.3219 -31.71 -19.3619 8.46212 -19.3619 -5.68629 GPRESSAVG: 2557800 41.9356 -48.5141 9.73026 -47.1789 -31.322 -19.5013 7.10862 -19.1182 -6.58372 TIMING: 2557800 CPU: 7622.46, 0.00300594/step Wall: 7622.46, 0.00300594/step, 2.03919 hours remaining, 206.914062 MB of memory in use. ENERGY: 2557800 798.9439 2056.2397 1984.1951 117.1059 -206067.6139 17612.9226 0.0000 0.0000 34448.9031 -149049.3036 300.8508 -183498.2067 -148955.6875 299.7390 -162.5186 -134.7984 556487.2811 1.3037 1.3433 PRESSURE: 2558000 -98.9303 97.0038 -86.9693 97.0048 13.6854 27.1732 -86.9676 27.1733 -43.3593 GPRESSURE: 2558000 -104.689 103.021 -140.782 77.8779 37.9654 26.6681 -74.1705 24.1013 26.6412 PRESSAVG: 2558000 36.016 -35.2105 26.3313 -35.2105 -18.4063 -13.2271 26.3313 -13.2271 18.2112 GPRESSAVG: 2558000 36.0996 -33.6948 25.7746 -35.4612 -18.9401 -14.0026 26.4932 -13.3474 18.6261 TIMING: 2558000 CPU: 7623.06, 0.00299298/step Wall: 7623.06, 0.00299298/step, 2.03024 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: 2558000 763.9154 2068.3367 1942.8279 107.8518 -205387.3940 17535.8934 0.0000 0.0000 34193.0038 -148775.5651 298.6160 -182968.5689 -148674.8144 299.1405 -42.8681 -13.3609 557347.8818 11.9403 11.9285 PRESSURE: 2558200 25.0893 41.0982 95.3616 41.0975 -148.654 19.7427 95.3616 19.7425 -271.972 GPRESSURE: 2558200 42.362 75.46 220.489 -23.5426 -84.2705 -75.3551 6.84796 120.779 -254.648 PRESSAVG: 2558200 -36.302 -44.0599 15.5071 -44.06 -8.97329 -11.472 15.5072 -11.472 22.4601 GPRESSAVG: 2558200 -36.8322 -45.8327 16.4162 -42.4239 -6.94887 -8.76025 16.4255 -13.2122 21.4483 TIMING: 2558200 CPU: 7623.66, 0.00300075/step Wall: 7623.66, 0.00300075/step, 2.03534 hours remaining, 206.914062 MB of memory in use. ENERGY: 2558200 766.6973 2135.1806 1944.9144 119.0721 -205976.2470 17568.8218 0.0000 0.0000 34513.3335 -148928.2273 301.4135 -183441.5608 -148834.6318 299.8327 -131.8454 -98.8522 556486.2018 -7.6051 -7.4443 PRESSURE: 2558400 63.5697 -71.5525 11.2701 -71.5521 149.731 -40.2307 11.2703 -40.2306 190.195 GPRESSURE: 2558400 84.3838 -81.7116 -12.3482 -49.6872 190.912 26.4642 86.2769 -36.0321 229.628 PRESSAVG: 2558400 50.214 0.111629 44.7788 0.111612 -52.3079 38.5117 44.7787 38.5116 -49.8545 GPRESSAVG: 2558400 50.9663 1.61651 43.1939 -2.90466 -52.9231 37.847 45.218 38.8313 -50.6506 TIMING: 2558400 CPU: 7624.26, 0.0029791/step Wall: 7624.26, 0.0029791/step, 2.02049 hours remaining, 206.914062 MB of memory in use. ENERGY: 2558400 739.8317 2123.5087 1960.6748 123.5865 -206357.9413 17923.0638 0.0000 0.0000 34592.4057 -148894.8701 302.1041 -183487.2758 -148800.9419 299.6717 134.4984 168.3082 556169.8049 -17.3161 -17.5358 PRESSURE: 2558600 199.816 -143.704 -131.314 -143.704 195.291 -84.9898 -131.316 -84.9906 -284.765 GPRESSURE: 2558600 233.982 -184.316 -163.196 -96.8447 173.314 -3.02513 -169.259 -170.971 -212.936 PRESSAVG: 2558600 65.9316 -31.2613 4.2849 -31.2614 0.327952 -18.6807 4.28477 -18.6807 -13.9098 GPRESSAVG: 2558600 65.5494 -32.1992 6.286 -28.9217 0.142654 -16.6145 1.30562 -20.997 -13.6203 TIMING: 2558600 CPU: 7624.86, 0.00299853/step Wall: 7624.86, 0.00299853/step, 2.0335 hours remaining, 206.914062 MB of memory in use. ENERGY: 2558600 712.4195 2075.9986 1935.7730 116.3113 -205828.7514 17746.3858 0.0000 0.0000 34380.5686 -148861.2946 300.2541 -183241.8632 -148760.8034 299.9967 36.7806 64.7865 557780.7570 17.4499 17.3573 PRESSURE: 2558800 427.472 -26.2654 137.026 -26.2651 12.5606 -76.8818 137.025 -76.8819 278.528 GPRESSURE: 2558800 377.145 46.0695 174.578 -79.4127 87.8347 -29.2264 28.382 -73.8111 347.585 PRESSAVG: 2558800 84.1575 -39.6306 -7.52688 -39.6305 -74.4534 -75.9219 -7.5268 -75.9219 -12.2478 GPRESSAVG: 2558800 83.6305 -38.4447 -7.56447 -40.6529 -73.9309 -75.8751 -7.62313 -73.3343 -12.2613 TIMING: 2558800 CPU: 7625.45, 0.00298568/step Wall: 7625.45, 0.00298568/step, 2.02462 hours remaining, 206.914062 MB of memory in use. ENERGY: 2558800 758.3842 2099.8656 1963.1420 126.9065 -206412.8625 18178.5783 0.0000 0.0000 34417.4929 -148868.4931 300.5765 -183285.9861 -148766.3029 300.6685 239.5204 270.8550 556646.0424 -0.8479 -0.8539 PRESSURE: 2559000 147.378 39.2932 106.077 39.2936 -161.717 258.766 106.077 258.767 -332.974 GPRESSURE: 2559000 174.034 56.7005 116.018 5.36985 -129.378 150.515 181.54 286.733 -298.234 PRESSAVG: 2559000 30.0414 4.73916 80.3424 4.73929 -11.0121 -9.73785 80.3423 -9.7378 12.619 GPRESSAVG: 2559000 30.1046 5.02865 78.8355 5.3467 -11.7051 -14.3775 83.2428 -8.22801 13.3204 TIMING: 2559000 CPU: 7626.06, 0.00302498/step Wall: 7626.06, 0.00302498/step, 2.0511 hours remaining, 206.914062 MB of memory in use. ENERGY: 2559000 757.2418 2103.6656 1959.8682 108.0902 -205912.3436 17653.6971 0.0000 0.0000 34361.1140 -148968.6667 300.0842 -183329.7807 -148871.6702 300.5397 -115.7709 -84.5261 557716.5312 10.5494 10.5733 PRESSURE: 2559200 -43.5343 -129.826 -57.5349 -129.825 -330.293 -49.0704 -57.5342 -49.0707 174.608 GPRESSURE: 2559200 9.67016 -114.192 -32.6753 -128.739 -298.635 -43.813 -58.9802 81.5376 188.188 PRESSAVG: 2559200 121.477 -14.2722 55.7074 -14.2721 -183.239 -25.5085 55.7074 -25.5086 32.621 GPRESSAVG: 2559200 122.689 -13.9564 55.6379 -15.2978 -183.698 -21.8699 53.6498 -27.0807 31.8649 TIMING: 2559200 CPU: 7626.66, 0.0029929/step Wall: 7626.66, 0.0029929/step, 2.02919 hours remaining, 206.914062 MB of memory in use. ENERGY: 2559200 765.2936 2147.5920 1944.6859 107.9054 -206048.1801 17584.9669 0.0000 0.0000 34373.7950 -149123.9414 300.1949 -183497.7364 -149022.9928 299.4036 -66.4064 -33.5924 557106.3462 -9.7136 -9.7148 PRESSURE: 2559400 59.8299 -142.988 44.0069 -142.988 93.5979 92.8077 44.0058 92.8066 -126.999 GPRESSURE: 2559400 102.381 -135.754 -97.7589 -75.5689 122.117 56.5409 84.148 12.4065 -94.6178 PRESSAVG: 2559400 -46.7606 -47.0226 28.4788 -47.0225 61.666 65.8265 28.4788 65.8265 -51.1629 GPRESSAVG: 2559400 -47.6972 -48.2856 28.8783 -45.3143 62.6154 65.7344 30.7942 65.2997 -51.1626 TIMING: 2559400 CPU: 7627.26, 0.00298866/step Wall: 7627.26, 0.00298866/step, 2.02614 hours remaining, 206.914062 MB of memory in use. ENERGY: 2559400 786.0814 2102.0573 1939.5877 107.8283 -206038.9868 17767.8174 0.0000 0.0000 34283.7028 -149051.9118 299.4081 -183335.6146 -148955.9753 300.3555 8.8097 43.2932 556598.6689 -12.0858 -12.0815 PRESSURE: 2559600 163.903 270.114 34.1877 270.115 -60.4837 -2.58819 34.1873 -2.58838 196.891 GPRESSURE: 2559600 187.889 221.067 88.4365 240.701 27.7713 29.2499 7.92407 -21.1735 175.609 PRESSAVG: 2559600 24.4281 -5.56129 18.4311 -5.56123 -3.05999 -4.78684 18.4311 -4.78683 -52.1891 GPRESSAVG: 2559600 23.745 -4.68531 19.8745 -5.88447 -3.54099 -5.63964 14.8801 -1.95616 -51.2335 TIMING: 2559600 CPU: 7627.86, 0.00301827/step Wall: 7627.86, 0.00301827/step, 2.04605 hours remaining, 206.914062 MB of memory in use. ENERGY: 2559600 725.4024 2064.5612 1942.5413 115.7964 -206393.7272 18048.3134 0.0000 0.0000 34174.8337 -149322.2787 298.4573 -183497.1124 -149216.5386 299.7881 100.1033 130.4228 557189.5429 -10.2737 -10.3432 PRESSURE: 2559800 -313.793 -176.934 -152.555 -176.934 -66.5846 21.5465 -152.556 21.5484 -275.207 GPRESSURE: 2559800 -274.281 -159.039 -185.432 -218.355 -13.7385 -35.2945 -210.471 25.414 -274.099 PRESSAVG: 2559800 -5.0279 51.1362 3.59818 51.1362 -10.3901 -59.618 3.59823 -59.618 -8.94651 GPRESSAVG: 2559800 -4.66285 52.9598 1.92058 50.0054 -10.2458 -60.2881 6.15683 -60.4569 -9.95585 TIMING: 2559800 CPU: 7628.46, 0.00298008/step Wall: 7628.46, 0.00298008/step, 2.02 hours remaining, 206.914062 MB of memory in use. ENERGY: 2559800 728.0783 2060.7106 1931.1486 113.3558 -206245.8444 17493.5601 0.0000 0.0000 34414.9087 -149504.0823 300.5540 -183918.9910 -149402.5738 299.2704 -218.5284 -187.3729 557790.5883 -8.1215 -8.2882 PRESSURE: 2560000 -78.0265 75.6161 -47.7283 75.6161 -15.5834 -169.921 -47.7284 -169.92 94.6568 GPRESSURE: 2560000 28.3428 55.7332 -24.0991 35.3244 -74.5088 -150.354 -41.1827 -128.585 151.018 PRESSAVG: 2560000 6.15023 29.5295 -3.39136 29.5294 22.5265 -17.2899 -3.39132 -17.2899 7.70132 GPRESSAVG: 2560000 6.66765 27.5199 -3.5398 30.9963 22.0793 -14.9821 -3.74539 -17.9742 7.49546 TIMING: 2560000 CPU: 7629.06, 0.00300219/step Wall: 7629.06, 0.00300219/step, 2.03482 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: 2560000 767.1262 2084.3579 1951.8736 121.8566 -206904.5599 18019.8011 0.0000 0.0000 34426.0181 -149533.5262 300.6510 -183959.5443 -149440.1141 299.3745 0.3489 34.9508 556840.8376 12.1260 12.0808 PRESSURE: 2560200 -10.0503 -107.675 17.0064 -107.675 -48.1368 -135.856 17.007 -135.857 -103.082 GPRESSURE: 2560200 1.98758 -143.8 4.52812 -113.995 33.1203 -152.662 60.9125 -135.937 -105.01 PRESSAVG: 2560200 -37.3511 8.36514 12.1291 8.365 3.16688 -33.075 12.1291 -33.0751 34.6367 GPRESSAVG: 2560200 -38.3207 8.06089 12.3979 8.73063 3.98622 -34.543 12.1981 -32.2022 35.2328 TIMING: 2560200 CPU: 7629.66, 0.002995/step Wall: 7629.66, 0.002995/step, 2.02978 hours remaining, 206.914062 MB of memory in use. ENERGY: 2560200 774.2214 2137.4659 1929.6912 124.0485 -206445.1038 17880.0801 0.0000 0.0000 34009.3334 -149590.2631 297.0120 -183599.5966 -149498.7474 298.8468 -53.7563 -23.3008 558279.8300 0.1508 0.2994 LDB: ============= START OF LOAD BALANCING ============== 7633.09 LDB: ============== END OF LOAD BALANCING =============== 7633.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7633.09 LDB: ============= START OF LOAD BALANCING ============== 7633.39 LDB: Largest compute 4849 load 0.027404 is 23.2% of average load 0.118108 LDB: Average compute 0.001731 is 1.5% of average load 0.118108 LDB: TIME 7633.39 LOAD: AVG 0.118108 MAX 0.205391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 7633.39 LOAD: AVG 0.118108 MAX 0.205391 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.004 MB LDB: TIME 7633.39 LOAD: AVG 0.118108 MAX 0.205391 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.004 MB LDB: ============== END OF LOAD BALANCING =============== 7633.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7633.4 PRESSURE: 2560400 93.1266 -18.2575 -115.997 -18.2574 -123.518 81.5877 -115.998 81.5888 -134.288 GPRESSURE: 2560400 161.919 -111.952 -69.8596 -73.1773 -142.991 91.4909 -77.9437 27.8982 -87.2446 PRESSAVG: 2560400 1.04991 6.62326 6.70628 6.62335 -11.907 12.1782 6.70647 12.1783 -23.0932 GPRESSAVG: 2560400 1.6544 4.41371 9.26662 5.32894 -12.2988 12.5326 6.87388 12.0993 -22.9617 TIMING: 2560400 CPU: 7630.27, 0.00306358/step Wall: 7630.27, 0.00306358/step, 2.07608 hours remaining, 206.710938 MB of memory in use. ENERGY: 2560400 778.5916 2131.4300 1960.1477 108.7483 -206647.0217 17887.7111 0.0000 0.0000 34180.4202 -149599.9728 298.5061 -183780.3930 -149506.7405 298.5286 -54.8931 -22.7721 558078.7224 -11.3168 -11.2020 PRESSURE: 2560600 89.7511 -89.8663 29.3375 -89.8653 -29.2923 -80.2741 29.3376 -80.2743 108.352 GPRESSURE: 2560600 131.911 -60.4853 51.0389 -46.252 11.059 -83.7377 46.6993 -31.572 123.199 PRESSAVG: 2560600 41.2566 -22.8759 -13.7629 -22.8759 33.4871 -8.81591 -13.7629 -8.81594 -79.8611 GPRESSAVG: 2560600 41.0529 -19.2503 -15.5763 -21.5467 34.7339 -8.22471 -13.1682 -8.42003 -80.8787 TIMING: 2560600 CPU: 7630.87, 0.00300125/step Wall: 7630.87, 0.00300125/step, 2.03368 hours remaining, 206.710938 MB of memory in use. ENERGY: 2560600 734.0481 2107.9259 1965.8319 119.2378 -206795.0668 18061.2007 0.0000 0.0000 34294.4029 -149512.4195 299.5015 -183806.8224 -149407.3165 298.1819 56.2703 88.7229 556861.7404 -1.7058 -1.6973 PRESSURE: 2560800 -262.011 310.82 -52.8287 310.82 -209.697 -56.6952 -52.829 -56.6953 -175.064 GPRESSURE: 2560800 -276.284 245.317 -2.68208 293.698 -99.9546 -129.166 -8.47005 -57.3567 -173.287 PRESSAVG: 2560800 117.069 17.942 -20.2308 17.942 -11.2737 -4.93685 -20.2309 -4.93673 -101.948 GPRESSAVG: 2560800 117.08 15.4902 -21.7945 17.4963 -12.067 -6.16528 -19.5782 -5.64387 -100.96 TIMING: 2560800 CPU: 7631.47, 0.00298412/step Wall: 7631.47, 0.00298412/step, 2.02191 hours remaining, 206.710938 MB of memory in use. ENERGY: 2560800 766.4166 2137.2757 1939.6178 108.5823 -206682.2471 17749.0070 0.0000 0.0000 34352.0194 -149629.3283 300.0047 -183981.3477 -149532.5177 298.4720 -215.5905 -183.1753 558476.8091 1.2825 1.3509 PRESSURE: 2561000 306.086 -11.3791 -1.1943 -11.3786 -121.841 -109.045 -1.19379 -109.045 -139.901 GPRESSURE: 2561000 354.337 -66.2743 -123.511 71.205 -140.469 -33.5092 35.1326 -159.837 -60.7261 PRESSAVG: 2561000 27.2348 -4.24379 12.9492 -4.24382 -18.2733 -49.9345 12.9493 -49.9344 24.8831 GPRESSAVG: 2561000 26.011 -2.56665 14.4726 -5.34708 -17.7663 -47.9931 11.2559 -50.6798 25.8669 TIMING: 2561000 CPU: 7632.07, 0.00301441/step Wall: 7632.07, 0.00301441/step, 2.04226 hours remaining, 206.710938 MB of memory in use. ENERGY: 2561000 755.3341 2174.7102 1947.9519 118.0198 -206709.0737 17793.8745 0.0000 0.0000 34500.7734 -149418.4097 301.3038 -183919.1831 -149325.2932 298.5992 14.7810 51.0472 557125.3698 11.2815 11.3705 PRESSURE: 2561200 -256.912 46.8899 44.9628 46.8903 50.5295 19.1672 44.9626 19.1679 -47.6633 GPRESSURE: 2561200 -197.261 19.6224 76.7273 68.9316 62.8214 63.1885 20.401 38.1002 -30.1014 PRESSAVG: 2561200 37.7873 -33.0568 24.504 -33.0569 -30.464 -15.9559 24.504 -15.956 20.975 GPRESSAVG: 2561200 38.4362 -31.8164 22.7412 -33.0318 -29.4573 -17.2461 25.9259 -16.4681 19.1643 TIMING: 2561200 CPU: 7632.67, 0.0029856/step Wall: 7632.67, 0.0029856/step, 2.02258 hours remaining, 206.710938 MB of memory in use. ENERGY: 2561200 794.4510 2083.5940 1967.0056 110.0595 -206543.6118 18001.4992 0.0000 0.0000 34151.8336 -149435.1688 298.2565 -183587.0024 -149336.2879 298.5464 -84.6821 -54.8470 557584.2858 9.4328 9.3811 PRESSURE: 2561400 -8.0567 -27.2939 210.649 -27.2932 -157.54 60.1903 210.649 60.1902 -213.313 GPRESSURE: 2561400 20.8092 41.9299 226.436 -29.507 -106.161 72.4483 228.003 38.4491 -211.969 PRESSAVG: 2561400 76.6881 39.5234 24.0004 39.5234 -44.5383 3.24968 24.0002 3.24977 -16.2533 GPRESSAVG: 2561400 77.2713 38.9478 27.344 39.4229 -45.9427 4.34988 20.9801 4.16302 -15.682 TIMING: 2561400 CPU: 7633.26, 0.00297728/step Wall: 7633.26, 0.00297728/step, 2.01678 hours remaining, 206.710938 MB of memory in use. ENERGY: 2561400 789.5860 2126.8811 1966.2042 122.5728 -206481.9221 17879.9732 0.0000 0.0000 34169.1294 -149427.5754 298.4075 -183596.7048 -149329.0738 298.4700 -126.3033 -99.1067 557257.4050 5.2988 5.2155 PRESSURE: 2561600 186.783 124.695 -76.0677 124.697 6.5994 -147.811 -76.0679 -147.812 191.145 GPRESSURE: 2561600 198.127 104.46 -48.6905 201.532 66.761 -142.847 -60.3639 -239.687 229.699 PRESSAVG: 2561600 -30.2878 58.5693 -13.5106 58.5693 -23.1563 -35.8997 -13.5106 -35.8998 47.2463 GPRESSAVG: 2561600 -31.3377 56.6221 -17.1826 58.1386 -22.2439 -37.8886 -10.6545 -33.2728 47.4368 TIMING: 2561600 CPU: 7633.85, 0.00295963/step Wall: 7633.85, 0.00295963/step, 2.00465 hours remaining, 206.710938 MB of memory in use. ENERGY: 2561600 796.6729 2106.4467 1944.1505 114.6816 -206838.8849 18224.0057 0.0000 0.0000 34204.2179 -149448.7096 298.7139 -183652.9275 -149351.8416 299.4978 128.1758 164.8625 556917.6547 -2.0659 -2.0483 PRESSURE: 2561800 62.8691 -154.149 26.7862 -154.148 -32.6742 -138.619 26.7843 -138.62 39.4577 GPRESSURE: 2561800 159.051 -41.5941 31.6461 -261.342 -79.8393 -154.303 67.2525 -67.0969 85.1249 PRESSAVG: 2561800 -26.692 6.70579 3.22254 6.70572 34.8365 -9.52758 3.22256 -9.52748 10.9524 GPRESSAVG: 2561800 -25.3664 6.13211 5.3617 7.319 33.3281 -9.29356 2.21797 -10.6319 10.7622 TIMING: 2561800 CPU: 7634.45, 0.00297438/step Wall: 7634.45, 0.00297438/step, 2.01448 hours remaining, 206.710938 MB of memory in use. ENERGY: 2561800 738.1788 2144.5879 1955.8063 126.7481 -206681.0923 17904.9473 0.0000 0.0000 34265.0967 -149545.7271 299.2456 -183810.8238 -149456.1409 299.5079 23.2175 54.7790 557580.6140 6.3656 6.2413 PRESSURE: 2562000 -157.678 -43.4971 -141.486 -43.4971 -43.2317 114.277 -141.485 114.278 98.3102 GPRESSURE: 2562000 -66.6328 -37.5285 -125.717 -51.9106 -47.0091 119.295 -149.888 205.142 104.073 PRESSAVG: 2562000 -26.9805 12.2206 -62.6553 12.2205 40.1157 6.54261 -62.6553 6.54262 3.67584 GPRESSAVG: 2562000 -27.4049 15.4142 -65.2777 8.74419 40.5493 5.31435 -60.4276 5.20511 3.52728 TIMING: 2562000 CPU: 7635.05, 0.00300348/step Wall: 7635.05, 0.00300348/step, 2.03402 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: 2562000 789.6413 2131.3664 1952.1292 112.3486 -206496.8233 17901.8395 0.0000 0.0000 34070.3068 -149539.1916 297.5445 -183609.4984 -149440.5444 298.7932 -34.2000 -3.1898 557112.4304 5.6037 5.5572 PRESSURE: 2562200 -175.348 143.348 -190.133 143.349 -219.395 56.1882 -190.132 56.1871 -153.894 GPRESSURE: 2562200 -135.966 77.5152 -150.72 85.626 -159.212 -29.7559 -143.102 -4.51582 -149.047 PRESSAVG: 2562200 -57.7304 -30.0157 -44.4355 -30.0157 -7.38516 -17.2023 -44.4355 -17.2023 82.8988 GPRESSAVG: 2562200 -58.168 -30.1684 -42.244 -26.0354 -6.52313 -17.4059 -46.0141 -15.8217 82.75 TIMING: 2562200 CPU: 7635.65, 0.00301678/step Wall: 7635.65, 0.00301678/step, 2.04286 hours remaining, 206.710938 MB of memory in use. ENERGY: 2562200 749.4169 2099.1683 1922.8834 120.3698 -206160.0841 17525.5142 0.0000 0.0000 34326.1815 -149416.5499 299.7791 -183742.7314 -149319.5334 299.2458 -182.8789 -148.0752 556787.4120 5.9277 6.0196 PRESSURE: 2562400 28.3845 49.6083 -54.9769 49.6082 44.7398 78.5599 -54.9766 78.5596 -86.595 GPRESSURE: 2562400 10.6831 78.1133 -140.956 53.0166 110.124 102.187 -74.0049 92.7254 -31.7564 PRESSAVG: 2562400 -9.05834 -9.68036 5.27773 -9.68042 20.028 -13.9807 5.27773 -13.9809 -33.6014 GPRESSAVG: 2562400 -10.0131 -10.012 5.807 -10.4159 20.2956 -11.3052 4.13444 -16.5386 -32.02 TIMING: 2562400 CPU: 7636.25, 0.00301268/step Wall: 7636.25, 0.00301268/step, 2.03992 hours remaining, 206.710938 MB of memory in use. ENERGY: 2562400 759.5901 2117.0528 1962.6650 104.7490 -206605.2605 17958.9523 0.0000 0.0000 34105.8862 -149596.3651 297.8552 -183702.2513 -149501.0562 298.0019 -4.4902 29.6835 558959.3056 -7.5439 -7.2458 PRESSURE: 2562600 78.7049 19.9719 -92.3703 19.972 86.7818 -133.506 -92.3704 -133.507 106.976 GPRESSURE: 2562600 132.061 16.5799 -79.7314 23.5334 98.4721 -100.254 -81.031 -146.599 147.348 PRESSAVG: 2562600 5.22813 -0.744377 -36.5098 -0.744409 111.113 -32.3544 -36.5098 -32.3544 -130.287 GPRESSAVG: 2562600 7.01268 -1.46753 -35.9951 -1.28738 111.089 -34.0167 -36.2723 -29.5942 -132.064 TIMING: 2562600 CPU: 7636.85, 0.00299767/step Wall: 7636.85, 0.00299767/step, 2.02959 hours remaining, 206.710938 MB of memory in use. ENERGY: 2562600 738.5242 2117.2827 1935.1287 122.3031 -206757.8499 18092.1408 0.0000 0.0000 34092.9255 -149659.5450 297.7420 -183752.4705 -149566.7481 297.7347 90.8208 125.9604 557340.3281 -4.6486 -4.6541 PRESSURE: 2562800 175.41 184.791 14.1507 184.79 -29.1061 -37.2333 14.1503 -37.2334 -23.9646 GPRESSURE: 2562800 185.8 137.612 93.196 204.162 36.5308 -0.789276 -17.6297 15.6315 -4.76954 PRESSAVG: 2562800 18.6557 43.5849 36.4696 43.585 -3.37462 24.8728 36.4696 24.8728 -6.6381 GPRESSAVG: 2562800 17.3876 42.9196 36.753 43.9354 -4.28686 25.8749 38.4625 22.2061 -4.65425 TIMING: 2562800 CPU: 7637.46, 0.00301029/step Wall: 7637.46, 0.00301029/step, 2.03797 hours remaining, 206.710938 MB of memory in use. ENERGY: 2562800 707.1812 2108.6145 1946.2951 121.1100 -206750.2904 17947.9997 0.0000 0.0000 34336.8156 -149582.2742 299.8720 -183919.0899 -149489.1189 298.0234 40.7798 72.5205 558207.2414 2.8810 2.8155 PRESSURE: 2563000 343.445 -82.6441 28.8997 -82.6437 8.0088 87.5817 28.9006 87.5824 284.914 GPRESSURE: 2563000 354.962 -37.4018 127.804 -162.757 61.9299 93.941 -65.8456 108.653 327.003 PRESSAVG: 2563000 14.6296 11.511 31.7442 11.511 -69.3935 57.9082 31.7442 57.9081 41.2704 GPRESSAVG: 2563000 15.2712 12.532 31.4014 10.3952 -69.5466 55.9456 30.7832 58.2992 40.8063 TIMING: 2563000 CPU: 7638.06, 0.0030056/step Wall: 7638.06, 0.0030056/step, 2.03462 hours remaining, 206.710938 MB of memory in use. ENERGY: 2563000 760.7415 2114.8071 1957.5689 119.3061 -206778.6995 18280.3530 0.0000 0.0000 33960.7846 -149585.1383 296.5880 -183545.9229 -149491.1904 298.5768 212.1226 247.9647 557536.8523 -4.4978 -4.4897 PRESSURE: 2563200 42.9434 -3.03128 59.67 -3.03156 -89.9846 70.1917 59.671 70.1912 48.4814 GPRESSURE: 2563200 64.989 -1.0155 -45.3757 -19.126 -53.4773 -8.38026 153.58 154.302 89.0039 PRESSAVG: 2563200 1.40913 7.9839 -15.9879 7.98383 -85.52 80.991 -15.988 80.9908 66.0309 GPRESSAVG: 2563200 1.36465 6.50601 -15.4515 9.63144 -85.9237 82.4109 -16.996 80.2531 66.5104 TIMING: 2563200 CPU: 7638.66, 0.00299609/step Wall: 7638.66, 0.00299609/step, 2.02802 hours remaining, 206.710938 MB of memory in use. ENERGY: 2563200 744.3490 2130.1128 1924.2269 108.9195 -206801.0673 18041.9468 0.0000 0.0000 34300.6707 -149550.8415 299.5563 -183851.5122 -149455.8186 298.1919 0.4801 33.5052 557858.7011 -6.0266 -6.0162 PRESSURE: 2563400 -67.7057 -156.02 20.9439 -156.019 -12.9306 -98.2571 20.9434 -98.2566 -255.001 GPRESSURE: 2563400 -13.6766 -178.154 -36.8238 -107.875 -62.1276 -136.304 59.1443 -26.5098 -174.741 PRESSAVG: 2563400 11.1723 -59.8438 56.1904 -59.8439 -47.8717 4.39121 56.1904 4.39119 -18.4442 GPRESSAVG: 2563400 11.5997 -60.5109 53.9938 -58.7264 -47.5382 4.25748 56.1279 6.26104 -19.3496 TIMING: 2563400 CPU: 7639.25, 0.00298104/step Wall: 7639.25, 0.00298104/step, 2.01767 hours remaining, 206.710938 MB of memory in use. ENERGY: 2563400 695.9007 2119.8165 1940.3847 111.4201 -206348.7168 17670.9883 0.0000 0.0000 34137.8951 -149672.3114 298.1347 -183810.2065 -149573.9918 298.1804 -111.8792 -83.5152 557723.3961 -18.3812 -18.4294 PRESSURE: 2563600 95.0375 239.829 -160.241 239.829 -106.6 -30.1066 -160.24 -30.1078 -55.7634 GPRESSURE: 2563600 57.1427 220.52 -190.199 300.689 -45.2692 144.6 -103.719 -147.051 -3.17032 PRESSAVG: 2563600 39.8772 37.5578 22.1241 37.5579 37.4211 51.1121 22.1241 51.1119 -52.774 GPRESSAVG: 2563600 38.491 38.8864 24.8097 35.9783 38.098 53.1749 22.2978 49.6887 -51.8287 TIMING: 2563600 CPU: 7639.85, 0.00297234/step Wall: 7639.85, 0.00297234/step, 2.01162 hours remaining, 206.710938 MB of memory in use. ENERGY: 2563600 747.3152 2089.1052 1943.4906 135.1291 -206463.5667 17866.4123 0.0000 0.0000 34204.0199 -149478.0944 298.7122 -183682.1144 -149385.0020 298.4598 -22.4418 2.9011 557362.6297 8.1748 8.2535 PRESSURE: 2563800 -83.4957 -140.137 -70.6057 -140.138 150.196 -8.36176 -70.6074 -8.36047 -47.6461 GPRESSURE: 2563800 -57.0462 -83.8372 -103.883 -130.948 148.519 3.56676 -115.154 -15.3902 17.754 PRESSAVG: 2563800 -37.7962 -24.6521 -44.6678 -24.6521 35.7224 -61.4462 -44.6679 -61.4461 -0.381548 GPRESSAVG: 2563800 -36.2639 -24.4178 -46.6745 -26.4314 34.7061 -59.2359 -43.7071 -61.7895 -0.728014 TIMING: 2563800 CPU: 7640.44, 0.00298357/step Wall: 7640.44, 0.00298357/step, 2.01905 hours remaining, 206.710938 MB of memory in use. ENERGY: 2563800 752.0663 2095.5203 1915.4771 110.3079 -206519.4875 17982.4482 0.0000 0.0000 34255.5424 -149408.1253 299.1622 -183663.6677 -149313.2373 298.5594 6.3515 36.4088 557880.3758 -0.8185 -0.7619 PRESSURE: 2564000 -149.807 -63.3457 -121.17 -63.3465 -20.5339 -61.8539 -121.171 -61.8525 -72.9975 GPRESSURE: 2564000 -107.823 -25.0613 4.75267 12.1691 21.2349 -64.6804 -124.537 -87.993 -62.2724 PRESSAVG: 2564000 -30.0108 -80.0151 -19.6814 -80.0151 -12.2874 11.6934 -19.6814 11.6934 15.5024 GPRESSAVG: 2564000 -30.9405 -79.5903 -19.2805 -77.3478 -11.877 8.9174 -18.7149 11.7219 15.6803 TIMING: 2564000 CPU: 7641.04, 0.00299382/step Wall: 7641.04, 0.00299382/step, 2.02582 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: 2564000 748.3945 2047.4493 1937.1994 116.4019 -206103.5930 17802.8839 0.0000 0.0000 34050.3623 -149400.9017 297.3703 -183451.2640 -149304.8691 298.3937 -81.1129 -49.6200 557163.1566 -8.9319 -9.0457 PRESSURE: 2564200 -72.5995 -68.6884 -2.2917 -68.6886 -120.054 -39.7558 -2.29055 -39.7557 -146.882 GPRESSURE: 2564200 -107.015 -15.4419 0.445141 -158.151 -50.5456 -96.1455 37.1203 -31.3686 -90.7322 PRESSAVG: 2564200 3.47567 -24.9929 -28.1852 -24.9929 16.1973 30.7393 -28.1852 30.7392 -33.2451 GPRESSAVG: 2564200 3.25883 -26.2646 -27.1385 -25.3574 16.9624 32.6467 -28.5275 29.5957 -33.6467 TIMING: 2564200 CPU: 7641.65, 0.00302622/step Wall: 7641.65, 0.00302622/step, 2.04757 hours remaining, 206.710938 MB of memory in use. ENERGY: 2564200 755.1478 2088.7873 1950.0327 112.6778 -206364.2085 17681.1062 0.0000 0.0000 34326.4149 -149450.0418 299.7811 -183776.4567 -149342.3107 299.0211 -113.1786 -82.7641 557546.9511 -4.5241 -4.4752 LDB: ============= START OF LOAD BALANCING ============== 7645.08 LDB: ============== END OF LOAD BALANCING =============== 7645.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7645.08 LDB: ============= START OF LOAD BALANCING ============== 7645.38 LDB: Largest compute 4849 load 0.026421 is 22.4% of average load 0.118026 LDB: Average compute 0.001730 is 1.5% of average load 0.118026 LDB: TIME 7645.38 LOAD: AVG 0.118026 MAX 0.203184 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.352 MB LDB: TIME 7645.38 LOAD: AVG 0.118026 MAX 0.203184 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.414 MB LDB: TIME 7645.38 LOAD: AVG 0.118026 MAX 0.203184 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.414 MB LDB: ============== END OF LOAD BALANCING =============== 7645.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7645.39 PRESSURE: 2564400 51.229 -17.9237 -18.3678 -17.9237 55.4786 127.354 -18.369 127.355 -46.8698 GPRESSURE: 2564400 58.8357 -79.0219 -81.4817 49.2839 68.8156 76.4245 -12.5969 113.634 18.4772 PRESSAVG: 2564400 51.2759 -9.7952 4.28612 -9.79528 -24.3285 56.4345 4.28612 56.4344 -57.7268 GPRESSAVG: 2564400 51.4606 -10.0407 2.31109 -9.4268 -24.6207 55.5202 3.76409 58.0446 -57.5632 TIMING: 2564400 CPU: 7642.26, 0.00304827/step Wall: 7642.26, 0.00304827/step, 2.06232 hours remaining, 208.250000 MB of memory in use. ENERGY: 2564400 694.2454 2093.6544 1933.3819 106.3610 -206156.8311 17845.8709 0.0000 0.0000 34201.6710 -149281.6464 298.6917 -183483.3174 -149185.7051 298.9515 19.9459 48.7095 557118.7326 -10.2598 -10.2411 PRESSURE: 2564600 -341.561 -70.8285 174.363 -70.8296 -172.575 111.719 174.362 111.716 -71.1332 GPRESSURE: 2564600 -307.183 -84.0497 152.817 -144.59 -165.146 127.494 235.594 45.289 -20.1093 PRESSAVG: 2564600 4.66903 30.9624 -5.4823 30.9624 52.8903 -2.36569 -5.4824 -2.36569 -46.7972 GPRESSAVG: 2564600 5.01482 31.1007 -3.02245 31.0782 52.3301 -2.00713 -6.47441 -1.77078 -46.3334 TIMING: 2564600 CPU: 7642.86, 0.00301158/step Wall: 7642.86, 0.00301158/step, 2.03734 hours remaining, 208.320312 MB of memory in use. ENERGY: 2564600 739.2907 2084.5114 1935.0338 118.2390 -205870.1178 17532.3425 0.0000 0.0000 34132.1740 -149328.5264 298.0848 -183460.7004 -149233.7323 298.9785 -195.0898 -164.1459 557891.0189 3.5874 3.6705 PRESSURE: 2564800 -2.59099 191.303 -91.1235 191.303 1.50441 -73.1329 -91.1242 -73.1322 33.8036 GPRESSURE: 2564800 29.4326 210.141 -63.0035 160.652 28.8723 -64.8094 -98.0969 -121.595 67.2008 PRESSAVG: 2564800 -29.1449 -3.11281 10.44 -3.11281 46.5496 29.6054 10.4399 29.6054 -12.4898 GPRESSAVG: 2564800 -28.5729 -2.75718 8.77999 -4.63659 46.3591 28.9448 11.9161 28.4832 -13.259 TIMING: 2564800 CPU: 7643.47, 0.00303415/step Wall: 7643.47, 0.00303415/step, 2.05243 hours remaining, 208.320312 MB of memory in use. ENERGY: 2564800 751.2009 2092.4911 1951.4532 119.1663 -206161.8487 17748.5090 0.0000 0.0000 34349.9169 -149149.1113 299.9864 -183499.0283 -149054.4530 299.1030 10.9057 41.8352 556650.4523 1.6383 1.5090 PRESSURE: 2565000 82.2003 -153.224 64.1623 -153.225 -107.597 87.5819 64.1608 87.5825 8.49132 GPRESSURE: 2565000 67.4028 -81.1611 3.05585 -180.894 -15.5515 87.4941 53.0268 61.2527 34.4622 PRESSAVG: 2565000 -35.3293 -21.7505 15.0361 -21.7504 -19.8938 73.3288 15.0362 73.329 62.1816 GPRESSAVG: 2565000 -34.9361 -21.4526 16.4369 -20.6801 -19.8797 75.697 14.1045 71.7539 61.6011 TIMING: 2565000 CPU: 7644.07, 0.00303525/step Wall: 7644.07, 0.00303525/step, 2.05301 hours remaining, 208.320312 MB of memory in use. ENERGY: 2565000 766.0912 2064.2742 1918.0649 110.6337 -205995.9319 17858.5916 0.0000 0.0000 34227.8417 -149050.4346 298.9203 -183278.2763 -148956.6312 299.9221 -5.6352 28.7712 558214.2633 2.3195 2.2618 PRESSURE: 2565200 -38.4968 -11.7456 40.118 -11.7458 -89.4808 263.826 40.1185 263.825 -149.143 GPRESSURE: 2565200 30.9694 41.3554 27.8601 -26.8501 -61.8404 238.106 97.6898 321.561 -141.06 PRESSAVG: 2565200 -3.98821 -18.4204 27.1706 -18.4203 -30.4271 36.6575 27.1707 36.6575 17.5471 GPRESSAVG: 2565200 -4.28793 -18.2273 26.2695 -18.35 -30.6912 33.0138 29.7565 39.4611 17.6121 TIMING: 2565200 CPU: 7644.68, 0.00304742/step Wall: 7644.68, 0.00304742/step, 2.06107 hours remaining, 208.320312 MB of memory in use. ENERGY: 2565200 744.8517 2065.3143 1926.3665 124.4384 -205906.1762 17640.4985 0.0000 0.0000 34285.4041 -149119.3028 299.4230 -183404.7069 -149020.4575 299.7563 -92.3734 -57.3103 559113.8011 -5.6227 -5.7890 PRESSURE: 2565400 -171.919 -71.7892 -119.759 -71.7872 103.954 28.0013 -119.759 28.0032 261.012 GPRESSURE: 2565400 -117.987 -69.0909 -34.3589 -94.9429 168.605 101.107 -187.45 47.9614 254.328 PRESSAVG: 2565400 6.08059 17.4848 52.1688 17.4847 -48.3891 31.0335 52.1688 31.0335 15.3296 GPRESSAVG: 2565400 4.63979 17.2866 53.6415 17.2291 -47.268 31.368 49.8538 29.5421 15.6165 TIMING: 2565400 CPU: 7645.28, 0.00300459/step Wall: 7645.28, 0.00300459/step, 2.03194 hours remaining, 208.320312 MB of memory in use. ENERGY: 2565400 709.9835 2121.2692 1910.5568 121.9651 -206291.7504 17778.2166 0.0000 0.0000 34437.9479 -149211.8111 300.7552 -183649.7591 -149113.6494 298.8948 64.3491 101.6488 557226.7113 -8.9929 -9.0039 PRESSURE: 2565600 -2.35991 75.3109 -78.2955 75.3107 29.7176 -72.9368 -78.2954 -72.9381 -209.562 GPRESSURE: 2565600 30.1545 115.582 -90.0637 36.4724 43.3249 -40.6908 -43.0609 -114.554 -163.089 PRESSAVG: 2565600 22.3792 -17.6813 -24.7292 -17.6812 -16.3478 23.9221 -24.7292 23.9222 -1.3956 GPRESSAVG: 2565600 22.3852 -17.4989 -26.6045 -18.5274 -17.0845 25.4034 -25.6474 21.9339 -0.965706 TIMING: 2565600 CPU: 7645.88, 0.0030054/step Wall: 7645.88, 0.0030054/step, 2.03232 hours remaining, 208.320312 MB of memory in use. ENERGY: 2565600 732.6214 2064.1450 1936.0821 110.7841 -205737.0411 17690.4034 0.0000 0.0000 33997.3412 -149205.6639 296.9072 -183203.0051 -149097.7611 299.1018 -60.7349 -29.8697 557952.6991 1.5452 1.4450 PRESSURE: 2565800 22.0463 83.6888 102.024 83.6872 300.967 26.123 102.024 26.1238 31.7258 GPRESSURE: 2565800 9.44581 72.0717 107.228 111.929 382.775 105.436 103.806 -70.9124 58.551 PRESSAVG: 2565800 7.19314 69.028 24.3698 69.028 -5.66847 31.3353 24.3697 31.3352 -16.0689 GPRESSAVG: 2565800 8.62154 69.4451 24.5478 68.2664 -5.06478 30.6575 24.7509 33.792 -17.7399 TIMING: 2565800 CPU: 7646.48, 0.00298772/step Wall: 7646.48, 0.00298772/step, 2.0202 hours remaining, 208.320312 MB of memory in use. ENERGY: 2565800 752.4981 2052.4269 1944.6446 122.5233 -206335.2477 18036.5318 0.0000 0.0000 34245.7753 -149180.8478 299.0769 -183426.6231 -149083.6299 298.3281 118.2464 150.2573 557294.6314 -4.8481 -4.7277 PRESSURE: 2566000 29.2751 -33.8447 38.9387 -33.8447 -75.0833 33.5883 38.9389 33.5905 120.303 GPRESSURE: 2566000 86.2339 -62.6747 -30.2187 -41.2832 -44.4004 54.9095 65.4287 -54.4796 131.454 PRESSAVG: 2566000 41.7819 6.72427 4.37805 6.72411 -29.3839 -2.17376 4.37812 -2.17384 8.87283 GPRESSAVG: 2566000 42.0205 4.57351 5.55521 9.93502 -29.5924 -3.77647 3.75585 -3.72791 9.44455 TIMING: 2566000 CPU: 7647.08, 0.00300068/step Wall: 7647.08, 0.00300068/step, 2.02879 hours remaining, 208.320312 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: 2566000 762.3673 2045.3573 1937.4839 114.1958 -206231.2816 17972.9866 0.0000 0.0000 34313.8405 -149085.0503 299.6713 -183398.8908 -148994.4901 299.1287 24.8315 57.7623 557227.7299 7.0903 7.2909 PRESSURE: 2566200 218.979 -85.1914 121.635 -85.1911 215.609 143.885 121.634 143.884 196.165 GPRESSURE: 2566200 275.105 -69.1885 202.025 -66.3418 260.558 86.6202 -10.4952 162.298 201.819 PRESSAVG: 2566200 28.295 -7.69393 -37.4065 -7.69393 18.978 -14.2927 -37.4065 -14.2928 21.0839 GPRESSAVG: 2566200 29.389 -8.72274 -38.8938 -8.26144 17.3483 -13.4434 -36.7459 -13.683 21.7835 TIMING: 2566200 CPU: 7647.68, 0.00299963/step Wall: 7647.68, 0.00299963/step, 2.02792 hours remaining, 208.320312 MB of memory in use. ENERGY: 2566200 763.7962 2081.9281 1927.6065 109.3392 -206753.5061 18384.8445 0.0000 0.0000 34352.6048 -149133.3869 300.0098 -183485.9917 -149039.6530 299.6830 210.2506 245.8272 558172.5578 22.7856 22.8403 PRESSURE: 2566400 -225.78 -26.4483 -30.7854 -26.4487 -253.35 2.2644 -30.7844 2.26466 -417.891 GPRESSURE: 2566400 -161.543 -106.466 -56.4776 4.14138 -263.639 16.2774 55.9811 -1.44753 -370.094 PRESSAVG: 2566400 -41.2318 -18.7444 49.5256 -18.7444 -1.09826 -21.6405 49.5255 -21.6405 -5.84002 GPRESSAVG: 2566400 -42.4717 -17.7559 49.805 -20.3446 0.485049 -20.5359 49.8009 -21.0845 -5.87025 TIMING: 2566400 CPU: 7648.28, 0.0029825/step Wall: 7648.28, 0.0029825/step, 2.01617 hours remaining, 208.320312 MB of memory in use. ENERGY: 2566400 749.5299 2091.3233 1923.8750 105.5135 -205881.9237 17498.2133 0.0000 0.0000 34518.2324 -148995.2362 301.4563 -183513.4686 -148896.1360 300.0164 -299.0070 -265.0918 559162.4197 -16.0567 -15.9523 PRESSURE: 2566600 252.738 -97.2585 -99.0208 -97.2584 -60.297 -74.9691 -99.0207 -74.9688 -81.8127 GPRESSURE: 2566600 220.323 -56.245 -122.49 -207.142 -4.23239 -64.6022 -42.1372 -81.6351 8.29776 PRESSAVG: 2566600 13.7803 -65.2902 -78.4369 -65.2903 -11.7392 -7.29977 -78.4369 -7.29967 38.2625 GPRESSAVG: 2566600 13.1754 -65.4575 -80.375 -63.8014 -12.4825 -9.74067 -77.6185 -5.09819 39.31 TIMING: 2566600 CPU: 7648.87, 0.00297432/step Wall: 7648.87, 0.00297432/step, 2.01048 hours remaining, 208.320312 MB of memory in use. ENERGY: 2566600 739.0436 2114.2036 1939.5511 117.3283 -205900.6615 17755.4981 0.0000 0.0000 34290.8786 -148944.1582 299.4708 -183235.0368 -148847.8258 299.7439 36.8762 74.7962 558253.1461 13.4345 13.3343 PRESSURE: 2566800 59.2103 119.944 19.489 119.946 -29.0811 -292.301 19.4893 -292.301 -43.4869 GPRESSURE: 2566800 118.253 96.0778 13.4764 166.584 23.9709 -323.271 -27.0581 -240.544 -56.832 PRESSAVG: 2566800 -32.5254 -65.7857 -23.7051 -65.7856 2.36366 -6.74664 -23.7049 -6.74661 9.13367 GPRESSAVG: 2566800 -31.5056 -64.6919 -22.1609 -66.4024 4.41808 -5.0055 -25.7494 -7.6083 6.99939 TIMING: 2566800 CPU: 7649.46, 0.00295474/step Wall: 7649.46, 0.00295474/step, 1.99707 hours remaining, 208.320312 MB of memory in use. ENERGY: 2566800 765.0776 2122.9460 1931.4725 124.4750 -205883.5596 17711.1560 0.0000 0.0000 34371.6383 -148856.7943 300.1761 -183228.4326 -148763.5941 300.1732 -4.4526 28.4641 556951.1830 -7.0094 -6.6960 PRESSURE: 2567000 81.8998 -17.3502 220.77 -17.3505 -21.292 -78.2246 220.769 -78.2251 -169.277 GPRESSURE: 2567000 103.772 5.26092 206.38 53.9604 -49.6655 -117.846 176.367 -45.4637 -72.078 PRESSAVG: 2567000 17.335 -13.2478 48.3382 -13.2478 7.70832 -11.6517 48.3382 -11.6518 -22.5097 GPRESSAVG: 2567000 16.7711 -13.0357 48.5062 -14.2175 6.00676 -12.0015 48.6827 -11.6368 -20.3397 TIMING: 2567000 CPU: 7650.06, 0.00295317/step Wall: 7650.06, 0.00295317/step, 1.99585 hours remaining, 208.320312 MB of memory in use. ENERGY: 2567000 764.7983 2146.4851 1946.8446 123.8490 -206054.3335 17798.9093 0.0000 0.0000 34312.1848 -148961.2625 299.6568 -183273.4473 -148868.3653 299.7026 -36.2232 -5.9904 558242.7884 0.8445 0.8127 PRESSURE: 2567200 -306.51 159.909 -116.277 159.911 -270.974 -105.246 -116.277 -105.246 -293.905 GPRESSURE: 2567200 -280.427 61.2034 -83.4236 174.328 -271.903 -82.2311 -132.944 -70.2816 -227.939 PRESSAVG: 2567200 80.5298 49.3116 -27.1967 49.3116 -7.04238 -3.99478 -27.1967 -3.99472 -101.486 GPRESSAVG: 2567200 80.9259 47.037 -27.4973 51.2058 -6.12111 -4.0215 -25.9168 -5.47371 -102.893 TIMING: 2567200 CPU: 7650.65, 0.00296629/step Wall: 7650.65, 0.00296629/step, 2.00455 hours remaining, 208.320312 MB of memory in use. ENERGY: 2567200 752.4380 2078.6795 1935.5735 126.6289 -205896.7367 17440.0156 0.0000 0.0000 34618.9891 -148944.4122 302.3362 -183563.4013 -148847.3696 300.4596 -290.4628 -260.0897 557998.0090 -9.3330 -9.3626 PRESSURE: 2567400 -269.518 -42.3417 104.181 -42.3415 -64.0293 -153.427 104.18 -153.426 -142.772 GPRESSURE: 2567400 -208.283 -16.3588 126.542 -12.5053 -61.0943 -130.821 31.4016 -77.909 -108.913 PRESSAVG: 2567400 14.8289 81.982 -18.5398 81.9819 -11.2537 -59.2664 -18.5398 -59.2664 5.58712 GPRESSAVG: 2567400 14.7684 82.5811 -18.3627 82.3824 -12.0157 -58.614 -19.4014 -58.2189 5.95857 TIMING: 2567400 CPU: 7651.24, 0.00295871/step Wall: 7651.24, 0.00295871/step, 1.99927 hours remaining, 208.320312 MB of memory in use. ENERGY: 2567400 792.7711 2115.5885 1961.5722 112.4245 -205839.0358 17508.2522 0.0000 0.0000 34450.3491 -148898.0782 300.8635 -183348.4273 -148798.0545 299.8344 -158.7731 -126.0966 557579.8540 3.0541 2.9037 PRESSURE: 2567600 203.201 -244.226 43.8626 -244.227 165.028 57.2426 43.8632 57.2427 -173.254 GPRESSURE: 2567600 188.216 -376.018 61.8821 -172.193 213.617 118.136 28.8352 36.283 -131.32 PRESSAVG: 2567600 -39.8602 37.59 -1.01682 37.59 34.8561 -18.221 -1.0168 -18.2211 30.1797 GPRESSAVG: 2567600 -40.3188 38.6655 -0.965847 36.6299 35.8218 -16.7503 -1.15201 -18.6723 30.1064 TIMING: 2567600 CPU: 7651.83, 0.00295317/step Wall: 7651.83, 0.00295317/step, 1.99536 hours remaining, 208.320312 MB of memory in use. ENERGY: 2567600 737.6327 2149.7117 1947.1385 121.0047 -205460.6071 17596.3052 0.0000 0.0000 34296.7986 -148612.0157 299.5225 -182908.8143 -148510.4278 300.3400 64.9914 90.1710 558409.8645 8.3919 8.5365 PRESSURE: 2567800 129.049 -54.7843 -36.0812 -54.785 101.29 -120.909 -36.0818 -120.909 -108.528 GPRESSURE: 2567800 161.018 -83.2782 -53.6209 -109.541 79.5289 -115.866 -59.9803 -78.3688 -27.5079 PRESSAVG: 2567800 24.5318 62.8631 -30.5702 62.863 -0.370701 -17.6381 -30.5702 -17.638 -38.6797 GPRESSAVG: 2567800 25.3009 63.1469 -31.5599 62.4854 -0.857153 -19.6224 -29.054 -17.1904 -38.3248 TIMING: 2567800 CPU: 7652.42, 0.00295547/step Wall: 7652.42, 0.00295547/step, 1.99675 hours remaining, 208.320312 MB of memory in use. ENERGY: 2567800 745.7548 2098.5341 1954.8220 107.9941 -205781.3711 17660.7909 0.0000 0.0000 34547.9654 -148665.5098 301.7160 -183213.4752 -148570.5997 300.7520 40.6034 71.0131 556735.4371 -4.8395 -4.6270 PRESSURE: 2568000 -230.142 7.46054 -132.342 7.46107 -328.511 60.58 -132.341 60.5797 34.3416 GPRESSURE: 2568000 -160.348 -72.993 -173.316 80.2138 -246.456 57.9378 -164.224 11.2184 -19.8211 PRESSAVG: 2568000 17.5143 -34.7052 -54.8675 -34.7053 -44.4201 -1.94234 -54.8674 -1.94225 34.8131 GPRESSAVG: 2568000 17.2914 -34.5748 -53.1395 -35.6599 -44.9984 -1.44559 -55.5757 -3.781 35.4279 TIMING: 2568000 CPU: 7653.02, 0.00298235/step Wall: 7653.02, 0.00298235/step, 2.01475 hours remaining, 208.320312 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: 2568000 774.3166 2154.1691 1949.3409 106.0626 -205358.8117 17354.7012 0.0000 0.0000 34387.4307 -148632.7906 300.3140 -183020.2213 -148539.8292 300.7968 -174.7703 -142.2082 558837.5853 2.6357 2.5736 PRESSURE: 2568200 -216.675 112.171 -96.0038 112.171 -274.68 -125.504 -96.003 -125.503 -70.0257 GPRESSURE: 2568200 -166.722 207.078 -108.329 53.876 -245.453 -107.93 -69.7473 -126.141 -55.3929 PRESSAVG: 2568200 -5.87837 18.9113 38.9601 18.9113 -78.7679 5.68893 38.9601 5.68883 51.007 GPRESSAVG: 2568200 -5.39538 18.5346 37.2635 21.7071 -78.6874 5.91055 39.9557 5.48489 49.9657 TIMING: 2568200 CPU: 7653.62, 0.00299609/step Wall: 7653.62, 0.00299609/step, 2.02386 hours remaining, 208.320312 MB of memory in use. ENERGY: 2568200 772.5985 2106.7397 1946.2615 112.0899 -205677.7684 17471.4071 0.0000 0.0000 34404.2724 -148864.3993 300.4611 -183268.6717 -148773.6355 300.4684 -187.1271 -155.8559 558357.6404 -11.2131 -11.3724 LDB: ============= START OF LOAD BALANCING ============== 7657.04 LDB: ============== END OF LOAD BALANCING =============== 7657.04 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7657.05 LDB: ============= START OF LOAD BALANCING ============== 7657.34 LDB: Largest compute 4821 load 0.025867 is 21.9% of average load 0.118072 LDB: Average compute 0.001729 is 1.5% of average load 0.118072 LDB: TIME 7657.34 LOAD: AVG 0.118072 MAX 0.202206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.289 MB LDB: TIME 7657.35 LOAD: AVG 0.118072 MAX 0.202206 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.293 MB LDB: TIME 7657.35 LOAD: AVG 0.118072 MAX 0.202206 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.293 MB LDB: ============== END OF LOAD BALANCING =============== 7657.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7657.35 PRESSURE: 2568400 362.01 151.471 74.6933 151.471 217.862 138.68 74.6927 138.678 -48.3699 GPRESSURE: 2568400 327.846 109.079 92.1256 162.461 265.924 183.255 21.1895 107.976 29.5359 PRESSAVG: 2568400 21.4346 21.301 17.1265 21.301 29.6662 -29.0362 17.1265 -29.0362 -10.9446 GPRESSAVG: 2568400 20.6251 22.6989 19.232 19.4378 29.2891 -28.1869 16.5958 -26.839 -9.51808 TIMING: 2568400 CPU: 7654.22, 0.00301984/step Wall: 7654.22, 0.00301984/step, 2.03974 hours remaining, 207.285156 MB of memory in use. ENERGY: 2568400 729.9550 2119.4145 1946.0034 108.9440 -206233.2322 18053.1800 0.0000 0.0000 34337.0064 -148938.7289 299.8736 -183275.7354 -148843.7446 300.3007 177.1675 207.7687 558723.1686 13.3854 13.4654 PRESSURE: 2568600 -10.5439 61.5044 44.258 61.5035 -123.171 -74.7688 44.2568 -74.7699 60.355 GPRESSURE: 2568600 -23.2807 18.2077 -9.67438 85.6934 -31.6259 -24.3111 116.627 -43.8149 72.9948 PRESSAVG: 2568600 5.55373 -0.996522 18.2722 -0.996609 -8.01575 4.07901 18.2723 4.07907 16.3317 GPRESSAVG: 2568600 3.66307 -2.69111 17.2361 0.082893 -6.60666 1.851 16.3835 3.99571 16.8378 TIMING: 2568600 CPU: 7654.82, 0.00298391/step Wall: 7654.82, 0.00298391/step, 2.0153 hours remaining, 207.488281 MB of memory in use. ENERGY: 2568600 782.8915 2137.2763 1945.2971 118.4880 -206248.0947 17982.5721 0.0000 0.0000 34262.6159 -149018.9538 299.2239 -183281.5697 -148923.1767 299.2034 -24.4532 6.0294 557912.2154 4.6232 4.6314 PRESSURE: 2568800 -256.919 -33.6433 91.95 -33.6419 -116.782 -56.8919 91.9509 -56.8927 -186.099 GPRESSURE: 2568800 -188.486 -3.73025 206.542 -53.4428 -91.9284 -173.689 7.2562 26.1702 -186.432 PRESSAVG: 2568800 -9.90283 23.9591 88.231 23.9591 -49.7521 -17.586 88.231 -17.5859 47.3029 GPRESSAVG: 2568800 -8.48054 25.5397 88.1093 21.3725 -50.5096 -15.12 87.6421 -20.0223 46.2942 TIMING: 2568800 CPU: 7655.42, 0.002994/step Wall: 7655.42, 0.002994/step, 2.02195 hours remaining, 207.488281 MB of memory in use. ENERGY: 2568800 763.8794 2124.4615 1974.5564 108.9943 -205771.8368 17486.6131 0.0000 0.0000 34385.9883 -148927.3439 300.3014 -183313.3322 -148834.0687 300.0072 -186.5998 -155.6157 558543.4400 -4.1173 -4.2320 PRESSURE: 2569000 325.552 75.2804 57.9381 75.2803 -62.7481 -114.829 57.9382 -114.827 71.3784 GPRESSURE: 2569000 358.638 91.3984 29.3745 37.9006 18.0344 -40.0626 25.3975 -228.534 62.6593 PRESSAVG: 2569000 -58.6187 14.2534 24.6162 14.2534 5.14706 11.2896 24.6161 11.2895 69.2207 GPRESSAVG: 2569000 -58.2421 13.6796 24.8619 15.6148 4.19278 11.0224 25.3537 12.1837 69.949 TIMING: 2569000 CPU: 7656.02, 0.00302867/step Wall: 7656.02, 0.00302867/step, 2.04519 hours remaining, 207.488281 MB of memory in use. ENERGY: 2569000 803.1379 2102.6402 1981.2609 112.0312 -206638.3161 18196.3718 0.0000 0.0000 34489.1456 -148953.7285 301.2023 -183442.8741 -148858.5905 300.4949 111.3941 146.4439 556775.7924 5.2497 5.2999 PRESSURE: 2569200 -122.815 0.080019 49.1406 0.0801095 -179.236 113.283 49.14 113.282 -110.397 GPRESSURE: 2569200 -88.583 -54.0347 87.3629 -5.60458 -170.068 132.406 -8.50224 100.114 -54.2694 PRESSAVG: 2569200 -50.7939 -25.5729 -20.5902 -25.5729 -7.07397 -15.8576 -20.5901 -15.8576 72.5457 GPRESSAVG: 2569200 -51.2643 -25.9853 -20.0354 -25.7738 -5.47632 -17.6136 -19.4179 -15.6018 71.4249 TIMING: 2569200 CPU: 7656.62, 0.00300882/step Wall: 7656.62, 0.00300882/step, 2.03162 hours remaining, 207.488281 MB of memory in use. ENERGY: 2569200 785.7187 2086.3302 1971.7989 112.3435 -205890.4792 17867.6063 0.0000 0.0000 34311.2015 -148755.4801 299.6483 -183066.6816 -148657.2735 300.6302 -137.4825 -104.3067 559861.2752 4.8926 4.8948 PRESSURE: 2569400 34.2791 33.2129 147.845 33.2118 -214.372 -37.5765 147.846 -37.5771 43.1679 GPRESSURE: 2569400 52.9196 83.6916 88.4377 14.4571 -199.284 8.13414 116.913 -44.5644 115.06 PRESSAVG: 2569400 48.7701 -11.8778 46.9438 -11.8778 -59.1123 10.0931 46.9438 10.0932 6.26998 GPRESSAVG: 2569400 48.2261 -12.2369 46.5878 -11.3427 -59.5413 10.1268 45.9123 10.7672 6.92619 TIMING: 2569400 CPU: 7657.22, 0.00297833/step Wall: 7657.22, 0.00297833/step, 2.01087 hours remaining, 207.488281 MB of memory in use. ENERGY: 2569400 780.3545 2059.0852 1943.8470 115.7776 -206019.1820 17864.9216 0.0000 0.0000 34470.4572 -148784.7389 301.0391 -183255.1962 -148689.3447 301.1943 -45.6417 -10.4349 558535.4990 -1.3574 -1.4630 PRESSURE: 2569600 224.557 -40.6052 15.3098 -40.6057 239.925 -73.8645 15.3106 -73.8647 -93.8028 GPRESSURE: 2569600 265.435 -39.4242 -7.73912 -35.078 189.407 -84.5405 98.6111 -24.8524 10.004 PRESSAVG: 2569600 9.02435 1.25442 3.79161 1.25439 12.9935 -29.5338 3.7916 -29.5339 -65.9913 GPRESSAVG: 2569600 9.93995 0.526763 3.32793 3.61269 11.6993 -28.8538 4.11161 -28.7331 -65.9676 TIMING: 2569600 CPU: 7657.82, 0.00298132/step Wall: 7657.82, 0.00298132/step, 2.01272 hours remaining, 207.488281 MB of memory in use. ENERGY: 2569600 745.5551 2083.3671 1931.0825 105.0866 -205771.9449 17807.4632 0.0000 0.0000 34289.3067 -148810.0837 299.4570 -183099.3904 -148713.6654 300.3001 123.5597 154.9487 558018.1094 -14.6578 -14.7761 PRESSURE: 2569800 -240.139 -76.4154 171.45 -76.415 -144.718 -36.9463 171.451 -36.9478 -71.1986 GPRESSURE: 2569800 -196.66 -134.123 258.227 17.622 -102.072 -78.2337 157.917 -26.8482 -62.9898 PRESSAVG: 2569800 14.4326 18.1472 83.1951 18.1472 -56.4809 34.7345 83.1951 34.7346 54.4174 GPRESSAVG: 2569800 13.2584 18.7494 84.5988 18.2167 -54.3977 35.9148 81.9784 33.7826 53.7577 TIMING: 2569800 CPU: 7658.41, 0.00296364/step Wall: 7658.41, 0.00296364/step, 2.00062 hours remaining, 207.488281 MB of memory in use. ENERGY: 2569800 827.3084 2119.5776 1931.4612 112.5726 -206033.4263 17680.2480 0.0000 0.0000 34306.4834 -149055.7750 299.6071 -183362.2585 -148963.5338 299.7950 -152.0185 -120.5740 558082.8255 4.1231 4.2061 PRESSURE: 2570000 -6.59564 -0.366761 -145.848 -0.367261 -311.693 -10.2863 -145.848 -10.2871 92.3445 GPRESSURE: 2570000 47.0331 53.9795 -204.632 -49.8454 -281.35 59.9042 -193.911 -85.7161 108.18 PRESSAVG: 2570000 16.303 29.8406 41.4574 29.8407 4.93163 -3.44619 41.4575 -3.44621 25.3997 GPRESSAVG: 2570000 16.9752 29.607 39.9203 28.558 3.39769 -3.98319 41.2087 -2.47161 26.2748 TIMING: 2570000 CPU: 7659, 0.00297441/step Wall: 7659, 0.00297441/step, 2.00772 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: 2570000 729.3437 2092.0860 1955.3150 133.9182 -206265.7339 17709.0251 0.0000 0.0000 34407.1511 -149238.8948 300.4862 -183646.0459 -149141.9654 299.3725 -75.3146 -42.0457 558244.3171 15.5448 15.5492 PRESSURE: 2570200 -70.6994 4.49738 -48.5033 4.49706 30.5263 12.7719 -48.5009 12.7722 -83.8534 GPRESSURE: 2570200 7.71214 53.0702 -8.6473 -102.361 34.5448 93.3028 -93.6562 -53.5227 -74.5174 PRESSAVG: 2570200 -44.5154 19.8744 -21.9142 19.8743 46.7506 68.0335 -21.9142 68.0336 -11.312 GPRESSAVG: 2570200 -44.4404 21.0293 -23.7819 18.4225 47.0503 67.3154 -19.6439 66.8856 -12.1154 TIMING: 2570200 CPU: 7659.6, 0.00297078/step Wall: 7659.6, 0.00297078/step, 2.00511 hours remaining, 207.488281 MB of memory in use. ENERGY: 2570200 712.1945 2055.9559 1997.4672 118.2899 -205885.9348 17556.8278 0.0000 0.0000 34300.4987 -149144.7009 299.5548 -183445.1995 -149035.0973 299.4619 -41.3422 -10.7535 557752.1910 -3.0256 -3.1685 PRESSURE: 2570400 178.406 -39.9785 -234.359 -39.9787 128.18 37.2569 -234.359 37.2574 -31.9675 GPRESSURE: 2570400 174.316 84.7879 -286.421 -76.4426 222.276 -3.33555 -236.154 35.2941 -27.5909 PRESSAVG: 2570400 -3.8266 -28.3592 -2.69604 -28.3591 58.6795 4.39536 -2.6961 4.39541 -24.1958 GPRESSAVG: 2570400 -3.97396 -28.2014 -0.212374 -27.4363 58.736 3.56613 -3.28068 4.76101 -23.7363 TIMING: 2570400 CPU: 7660.19, 0.00297691/step Wall: 7660.19, 0.00297691/step, 2.00909 hours remaining, 207.488281 MB of memory in use. ENERGY: 2570400 790.3532 2083.5971 1937.7318 100.3768 -206516.8516 18133.4483 0.0000 0.0000 34163.1478 -149308.1965 298.3553 -183471.3443 -149211.8706 299.8322 91.5395 123.0001 557557.9728 10.2190 10.3419 PRESSURE: 2570600 25.4642 -149.426 -30.6343 -149.425 -154.606 -22.7378 -30.6348 -22.7392 308.577 GPRESSURE: 2570600 63.3243 -140.989 -110.113 -143.545 -82.045 -63.346 46.4525 -40.3981 294.753 PRESSAVG: 2570600 -3.78208 22.2723 38.2746 22.2724 13.7371 23.8346 38.2747 23.8347 -13.6359 GPRESSAVG: 2570600 -3.30593 22.6188 37.6462 22.125 14.4583 26.1815 38.2627 23.3172 -14.8147 TIMING: 2570600 CPU: 7660.78, 0.00295237/step Wall: 7660.78, 0.00295237/step, 1.99236 hours remaining, 207.488281 MB of memory in use. ENERGY: 2570600 728.3130 2069.7760 1965.2103 122.3476 -206172.2514 17830.2990 0.0000 0.0000 34235.5210 -149220.7846 298.9873 -183456.3056 -149119.5115 299.1260 59.8119 92.0106 557237.0249 -1.2269 -1.2208 PRESSURE: 2570800 6.62471 -104.205 -81.2449 -104.207 67.2177 -150.566 -81.2452 -150.565 -17.5116 GPRESSURE: 2570800 82.0061 -54.3985 18.6178 -108.373 59.4717 -136.346 -128.632 -133.291 4.84269 PRESSAVG: 2570800 35.0091 -8.35906 8.81408 -8.35911 -44.5604 -8.64438 8.81403 -8.64433 -14.2854 GPRESSAVG: 2570800 35.1524 -10.0142 11.1075 -6.98586 -46.0885 -10.4445 8.67236 -9.54725 -13.6393 TIMING: 2570800 CPU: 7661.37, 0.00294585/step Wall: 7661.37, 0.00294585/step, 1.98779 hours remaining, 207.488281 MB of memory in use. ENERGY: 2570800 744.3298 2080.1852 1951.9791 112.4886 -206197.5924 17897.9690 0.0000 0.0000 34310.1942 -149100.4464 299.6395 -183410.6406 -149003.2594 299.0089 18.7769 48.7735 557123.2172 -7.9456 -8.1918 PRESSURE: 2571000 78.7928 -191.193 47.3415 -191.193 171.406 66.6835 47.3434 66.6844 160.422 GPRESSURE: 2571000 104.02 -238.397 -36.668 -199.221 234.752 76.3617 99.9737 59.9476 163.572 PRESSAVG: 2571000 -28.3237 -57.0353 -15.0077 -57.0352 -15.43 32.6535 -15.0076 32.6536 29.0312 GPRESSAVG: 2571000 -27.5441 -57.8106 -17.0906 -55.8963 -14.5001 31.5576 -15.712 35.1056 27.5559 TIMING: 2571000 CPU: 7661.97, 0.00297284/step Wall: 7661.97, 0.00297284/step, 2.00584 hours remaining, 207.488281 MB of memory in use. ENERGY: 2571000 722.1301 2090.7738 1953.8389 114.5571 -206381.7137 17956.0926 0.0000 0.0000 34321.7507 -149222.5704 299.7404 -183544.3211 -149132.2952 299.1597 136.8738 167.4477 557039.5899 -4.9075 -4.8294 PRESSURE: 2571200 82.8874 -15.7436 -119.414 -15.7449 190.26 39.2308 -119.414 39.2301 166.526 GPRESSURE: 2571200 115.916 -14.0264 -88.989 25.0488 193.793 19.0633 -85.5713 13.3217 232.781 PRESSAVG: 2571200 -39.707 11.4671 -2.46034 11.4671 32.3274 24.1206 -2.46017 24.1206 37.2806 GPRESSAVG: 2571200 -41.1469 14.1106 -2.34776 9.08494 32.4164 25.661 -3.32194 23.6447 38.7292 TIMING: 2571200 CPU: 7662.56, 0.00298465/step Wall: 7662.56, 0.00298465/step, 2.01364 hours remaining, 207.488281 MB of memory in use. ENERGY: 2571200 710.2056 2106.0521 1957.4652 117.0098 -206514.0304 17930.2329 0.0000 0.0000 34514.7982 -149178.2666 301.4263 -183693.0648 -149080.6651 299.1084 146.5580 180.8301 557269.6625 9.9670 9.9996 PRESSURE: 2571400 -167.946 -282.369 178.087 -282.369 62.013 36.3177 178.088 36.3183 50.6134 GPRESSURE: 2571400 -118.92 -277.207 202.928 -253.738 55.6533 52.0431 254.097 6.72214 107.609 PRESSAVG: 2571400 -96.993 -13.2517 -44.2167 -13.2517 69.0805 -2.315 -44.2166 -2.31502 64.9821 GPRESSAVG: 2571400 -96.9466 -13.647 -43.4308 -12.9225 69.1816 -2.73673 -41.9361 -3.04967 64.614 TIMING: 2571400 CPU: 7663.16, 0.00297619/step Wall: 7663.16, 0.00297619/step, 2.00777 hours remaining, 207.488281 MB of memory in use. ENERGY: 2571400 785.3759 2099.5910 1967.2043 121.0748 -206461.6374 17875.4894 0.0000 0.0000 34511.0060 -149101.8960 301.3932 -183612.9020 -149008.6311 300.1680 -18.4398 14.7806 555943.8142 12.3565 12.2830 PRESSURE: 2571600 -318.129 -158.586 -11.0255 -158.585 3.15018 -69.4985 -11.0263 -69.4978 -54.6391 GPRESSURE: 2571600 -214.442 -63.7342 -29.301 -228.244 -9.17553 -85.1008 -17.3879 -137.023 -53.4642 PRESSAVG: 2571600 -81.3804 -22.596 5.65175 -22.596 47.3232 13.202 5.65174 13.2021 36.9411 GPRESSAVG: 2571600 -80.2329 -23.0173 6.2492 -22.9189 45.0961 13.9468 2.81316 12.6863 37.651 TIMING: 2571600 CPU: 7663.76, 0.00299293/step Wall: 7663.76, 0.00299293/step, 2.0189 hours remaining, 207.488281 MB of memory in use. ENERGY: 2571600 776.3711 2076.3228 1967.0958 111.5071 -205753.6556 17423.7248 0.0000 0.0000 34271.6857 -149126.9484 299.3032 -183398.6341 -149035.0419 299.9336 -123.2058 -92.3606 557193.3964 0.9613 0.8380 PRESSURE: 2571800 -309.257 222.197 -22.2542 222.197 -67.9792 112.566 -22.2537 112.565 -158.712 GPRESSURE: 2571800 -241.657 162.439 -12.353 247.118 -38.2653 91.5702 10.6515 104.365 -166.6 PRESSAVG: 2571800 -30.8839 8.13782 -18.3304 8.13764 -52.2949 -13.2803 -18.3304 -13.2804 61.7529 GPRESSAVG: 2571800 -32.2721 7.11666 -17.6743 9.41762 -50.8362 -13.377 -16.3584 -12.8816 61.7741 TIMING: 2571800 CPU: 7664.36, 0.00299036/step Wall: 7664.36, 0.00299036/step, 2.017 hours remaining, 207.488281 MB of memory in use. ENERGY: 2571800 727.9804 2051.7090 1951.7106 137.4887 -205899.6259 17445.3769 0.0000 0.0000 34259.3946 -149325.9656 299.1958 -183585.3602 -149224.8891 299.9879 -178.6495 -148.8406 556528.6194 -7.1419 -7.1114 PRESSURE: 2572000 132.662 -56.1445 -176.593 -56.1448 341.556 -158.392 -176.593 -158.39 173.516 GPRESSURE: 2572000 217.486 -133.023 -109.649 -37.4847 316.221 -96.8072 -152.511 -191.764 204.06 PRESSAVG: 2572000 8.89843 25.3326 -22.8624 25.3326 2.6002 -13.0805 -22.8623 -13.0806 -34.6258 GPRESSAVG: 2572000 9.83289 23.9477 -23.8181 24.0423 2.44536 -14.0673 -24.0863 -11.415 -35.6458 TIMING: 2572000 CPU: 7664.96, 0.00300401/step Wall: 7664.96, 0.00300401/step, 2.02604 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: 2572000 758.9060 2110.9035 1934.0973 111.9709 -206278.0569 17854.8561 0.0000 0.0000 34147.5675 -149359.7555 298.2192 -183507.3230 -149269.4688 298.7276 215.9115 245.9225 555555.2520 -7.7091 -7.7892 PRESSURE: 2572200 169.204 -309.706 47.3715 -309.707 -296.832 14.3997 47.371 14.3996 94.0537 GPRESSURE: 2572200 187.435 -315.624 47.3634 -160.521 -226.842 -44.7347 128.075 8.61584 110.859 PRESSAVG: 2572200 -22.913 -29.8163 -28.7376 -29.8164 -9.25931 -33.5018 -28.7375 -33.5018 48.5854 GPRESSAVG: 2572200 -23.4578 -31.0182 -28.8394 -28.3409 -8.49125 -33.7969 -29.3587 -34.8026 49.249 TIMING: 2572200 CPU: 7665.56, 0.00299241/step Wall: 7665.56, 0.00299241/step, 2.01805 hours remaining, 207.488281 MB of memory in use. ENERGY: 2572200 706.3784 2133.3213 1926.9764 108.0340 -206045.5049 17758.2422 0.0000 0.0000 34160.3472 -149252.2054 298.3308 -183412.5526 -149167.9159 300.0055 -11.1915 23.8173 558671.1767 5.4710 5.7666 LDB: ============= START OF LOAD BALANCING ============== 7668.98 LDB: ============== END OF LOAD BALANCING =============== 7668.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7668.98 LDB: ============= START OF LOAD BALANCING ============== 7669.29 LDB: Largest compute 4821 load 0.026217 is 22.2% of average load 0.118012 LDB: Average compute 0.001731 is 1.5% of average load 0.118012 LDB: TIME 7669.29 LOAD: AVG 0.118012 MAX 0.204542 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 7669.29 LOAD: AVG 0.118012 MAX 0.204542 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.402 MB LDB: TIME 7669.29 LOAD: AVG 0.118012 MAX 0.204542 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.402 MB LDB: ============== END OF LOAD BALANCING =============== 7669.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7669.29 PRESSURE: 2572400 73.5095 -150.658 156.071 -150.658 -240.145 -44.5911 156.072 -44.5921 37.6395 GPRESSURE: 2572400 139.732 -250.32 257.665 -175.285 -205.435 -101.416 80.9966 -79.7997 42.0213 PRESSAVG: 2572400 -39.683 -22.8716 8.02353 -22.8715 -52.4234 -50.0635 8.02351 -50.0635 110.149 GPRESSAVG: 2572400 -39.1766 -20.7575 7.8531 -21.3198 -52.1425 -48.872 10.2029 -50.4661 109.599 TIMING: 2572400 CPU: 7666.16, 0.00304137/step Wall: 7666.16, 0.00304137/step, 2.0509 hours remaining, 206.128906 MB of memory in use. ENERGY: 2572400 780.4412 2091.9447 1943.6854 120.4307 -206318.0065 17862.6010 0.0000 0.0000 34132.6095 -149386.2940 298.0886 -183518.9035 -149285.0781 299.2487 -42.9987 -7.8941 557377.0637 6.0140 6.0935 PRESSURE: 2572600 -153.449 5.17086 101.258 5.1711 -218.465 30.1601 101.258 30.1601 30.3857 GPRESSURE: 2572600 -162.595 2.55019 35.3661 30.2252 -117.612 99.5559 89.0967 13.6228 31.3228 PRESSAVG: 2572600 -47.0972 -47.2339 46.0378 -47.2339 -12.4816 -8.40962 46.0378 -8.40976 36.6104 GPRESSAVG: 2572600 -47.24 -46.8438 45.3647 -49.8452 -11.5245 -9.66829 47.0459 -7.21839 36.0273 TIMING: 2572600 CPU: 7666.76, 0.00299888/step Wall: 7666.76, 0.00299888/step, 2.02208 hours remaining, 206.328125 MB of memory in use. ENERGY: 2572600 727.4196 2049.9960 1937.0582 99.2894 -205956.2962 17736.1237 0.0000 0.0000 34018.2784 -149388.1309 297.0901 -183406.4093 -149290.1458 298.2748 -113.8429 -82.9617 559261.2730 -7.6561 -7.5791 PRESSURE: 2572800 119.362 -54.6451 63.6838 -54.6443 -41.6962 55.4613 63.6841 55.4625 -100.78 GPRESSURE: 2572800 111.184 -1.64125 67.0621 -75.541 25.9451 44.3426 25.2625 151.152 -65.805 PRESSAVG: 2572800 -17.5466 -7.89328 47.4142 -7.89332 -5.04736 26.7226 47.4142 26.7225 30.1486 GPRESSAVG: 2572800 -18.3895 -8.11121 50.125 -5.04636 -5.42105 26.9836 45.6965 26.176 30.9332 TIMING: 2572800 CPU: 7667.36, 0.00298785/step Wall: 7667.36, 0.00298785/step, 2.01448 hours remaining, 206.328125 MB of memory in use. ENERGY: 2572800 713.8011 2106.0901 1974.2389 114.1269 -206118.1401 17770.5935 0.0000 0.0000 34184.6956 -149254.5940 298.5434 -183439.2896 -149166.4063 298.4802 -7.7049 23.7747 557209.7066 2.5182 2.3742 PRESSURE: 2573000 -39.2774 -49.3506 -84.4187 -49.3504 152.451 42.4877 -84.42 42.4874 -14.8216 GPRESSURE: 2573000 6.82511 -56.8679 -56.8866 -15.5227 198.225 96.6914 -60.4317 41.4103 0.958939 PRESSAVG: 2573000 0.338653 -0.9609 16.2479 -0.960805 2.54698 21.0746 16.2478 21.0745 -47.9383 GPRESSAVG: 2573000 2.2782 -0.755683 14.9965 -2.05941 1.41878 20.6732 17.5791 20.6506 -48.6604 TIMING: 2573000 CPU: 7667.96, 0.00298589/step Wall: 7667.96, 0.00298589/step, 2.01299 hours remaining, 206.328125 MB of memory in use. ENERGY: 2573000 763.9690 2120.4040 1929.1991 106.3849 -206575.0083 18020.4877 0.0000 0.0000 34248.2313 -149386.3323 299.0983 -183634.5636 -149287.1668 298.6628 32.7841 68.6698 558293.9194 -15.0176 -14.9878 PRESSURE: 2573200 25.2275 18.0696 47.9988 18.0712 194.423 14.9601 48.0003 14.9619 -42.2872 GPRESSURE: 2573200 100.3 18.8334 58.5065 59.9991 213.287 -13.687 -74.4627 31.2972 -43.2377 PRESSAVG: 2573200 -4.56118 -16.8738 54.301 -16.8739 23.401 62.6099 54.301 62.61 -22.6932 GPRESSAVG: 2573200 -5.44484 -16.1336 53.3754 -17.3586 24.0335 64.3831 53.3924 65.1308 -22.7984 TIMING: 2573200 CPU: 7668.56, 0.00298186/step Wall: 7668.56, 0.00298186/step, 2.0101 hours remaining, 206.328125 MB of memory in use. ENERGY: 2573200 720.2718 2099.3645 1951.3564 112.3979 -206467.6401 18034.7237 0.0000 0.0000 34166.3522 -149383.1735 298.3833 -183549.5258 -149288.1154 298.7033 59.1210 90.1162 557318.8664 -1.2844 -1.4032 PRESSURE: 2573400 -222.728 -85.1951 40.705 -85.1949 106.332 30.2759 40.7049 30.2754 43.0031 GPRESSURE: 2573400 -180.745 -79.3256 78.9705 -83.4966 116.839 -4.02231 42.5641 9.78181 80.2478 PRESSAVG: 2573400 -68.7252 -7.01675 -28.8359 -7.01672 -4.36167 26.3332 -28.8359 26.3331 49.8154 GPRESSAVG: 2573400 -69.5665 -7.45916 -26.5849 -7.91933 -4.06126 26.4598 -29.8169 23.3586 49.9226 TIMING: 2573400 CPU: 7669.15, 0.00298781/step Wall: 7669.15, 0.00298781/step, 2.01395 hours remaining, 206.328125 MB of memory in use. ENERGY: 2573400 739.4804 2091.2793 1936.1584 113.0926 -206311.4353 17840.5790 0.0000 0.0000 34199.7133 -149391.1323 298.6746 -183590.8456 -149289.3955 298.5046 -24.4643 5.4472 557684.8867 -7.7572 -7.9017 PRESSURE: 2573600 -6.74476 -205.279 69.0245 -205.279 -119.032 60.1884 69.023 60.1894 -279.667 GPRESSURE: 2573600 55.7899 -148.551 90.8963 -224.961 -147.114 45.9945 134.416 61.3574 -219.045 PRESSAVG: 2573600 -46.924 -70.2562 -33.5255 -70.2563 0.318927 -19.8458 -33.5255 -19.8457 8.81457 GPRESSAVG: 2573600 -46.7372 -70.4973 -35.5165 -68.8999 -0.000722009 -20.0311 -33.409 -19.6592 9.74525 TIMING: 2573600 CPU: 7669.75, 0.00298747/step Wall: 7669.75, 0.00298747/step, 2.01356 hours remaining, 206.328125 MB of memory in use. ENERGY: 2573600 744.4590 2105.8311 1980.5223 107.3809 -206020.8973 17815.1223 0.0000 0.0000 33955.5199 -149312.0617 296.5420 -183267.5816 -149218.9507 298.1953 -135.1480 -103.4562 557741.2954 -12.5968 -12.3309 PRESSURE: 2573800 166.009 156.674 1.20112 156.673 -156.041 -78.5772 1.20182 -78.5761 41.565 GPRESSURE: 2573800 196.648 133.863 -32.6277 47.6345 -93.6216 -98.6148 14.9717 -22.2042 57.4584 PRESSAVG: 2573800 -31.0981 -29.1566 62.0334 -29.1565 -11.0005 -30.1788 62.0334 -30.1789 23.8354 GPRESSAVG: 2573800 -31.0982 -26.5509 63.2397 -32.7497 -8.98324 -30.6168 62.9841 -30.5959 21.9466 TIMING: 2573800 CPU: 7670.35, 0.00299604/step Wall: 7670.35, 0.00299604/step, 2.01917 hours remaining, 206.328125 MB of memory in use. ENERGY: 2573800 720.7586 2112.3861 1969.4625 105.1664 -206104.3898 17718.7702 0.0000 0.0000 34128.0199 -149349.8261 298.0485 -183477.8460 -149244.7813 299.4690 17.1774 53.4951 557113.2360 -6.0877 -6.0449 PRESSURE: 2574000 23.3145 213.693 84.4707 213.694 -35.5522 -89.1807 84.4713 -89.18 358.227 GPRESSURE: 2574000 17.069 135.838 34.0185 201.121 29.1163 -64.929 100.356 -118.319 391.309 PRESSAVG: 2574000 44.44 -9.03721 59.7533 -9.03724 -83.0999 -41.4051 59.7533 -41.4051 24.4177 GPRESSAVG: 2574000 45.2179 -10.1771 59.0263 -6.64361 -85.0393 -40.7671 59.3926 -38.4075 25.6441 TIMING: 2574000 CPU: 7670.95, 0.00297815/step Wall: 7670.95, 0.00297815/step, 2.00694 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: 2574000 732.2198 2091.4710 1975.5721 116.3953 -206236.3235 17865.5599 0.0000 0.0000 34153.9210 -149301.1844 298.2747 -183455.1055 -149200.7890 299.1948 115.3298 145.8314 557103.6906 -4.7474 -4.7258 PRESSURE: 2574200 83.8135 -28.0935 -58.7645 -28.0925 -23.0142 -56.7017 -58.7649 -56.7027 45.1205 GPRESSURE: 2574200 83.6355 -65.3396 -22.6792 19.8271 34.9871 19.0336 -49.4312 -101.453 91.4171 PRESSAVG: 2574200 -21.5685 3.72637 0.239316 3.72632 -5.06984 1.58559 0.239314 1.58551 18.2322 GPRESSAVG: 2574200 -22.0925 2.47513 -0.351967 3.4576 -4.22372 1.31572 0.407568 -0.57091 18.0314 TIMING: 2574200 CPU: 7671.54, 0.00297954/step Wall: 7671.54, 0.00297954/step, 2.00772 hours remaining, 206.328125 MB of memory in use. ENERGY: 2574200 763.1168 2164.9798 1952.9337 127.3953 -206272.1417 17895.3562 0.0000 0.0000 34067.0500 -149301.3098 297.5160 -183368.3598 -149215.9120 298.7994 35.3066 70.0132 555580.1632 -2.8021 -2.7616 PRESSURE: 2574400 -180.612 67.5479 -69.1526 67.5468 -30.075 21.7211 -69.1539 21.7204 -3.73884 GPRESSURE: 2574400 -130.422 45.626 -16.7985 74.154 17.2307 49.2366 -86.2147 13.9429 -1.1348 PRESSAVG: 2574400 9.57819 -40.0187 -3.77453 -40.0188 -9.9417 5.16822 -3.77448 5.16815 31.9301 GPRESSAVG: 2574400 10.7449 -39.5157 -2.5173 -40.1884 -9.72934 4.84817 -3.73948 5.37846 30.7928 TIMING: 2574400 CPU: 7672.14, 0.00299308/step Wall: 7672.14, 0.00299309/step, 2.01667 hours remaining, 206.328125 MB of memory in use. ENERGY: 2574400 723.3695 2073.9428 1986.6820 121.1517 -205914.9389 17565.8345 0.0000 0.0000 34141.4523 -149302.5061 298.1658 -183443.9584 -149204.5530 298.6197 -71.4753 -38.1087 556145.3808 10.5222 10.6028 PRESSURE: 2574600 -82.7772 55.4139 92.6711 55.4132 -57.3508 -147.456 92.6719 -147.456 -280.291 GPRESSURE: 2574600 -29.1158 119.32 217.609 97.8592 -51.4554 -93.0804 60.9725 -168.197 -241.359 PRESSAVG: 2574600 4.0676 -6.1378 42.064 -6.13779 41.2333 17.6742 42.064 17.6742 -16.8034 GPRESSAVG: 2574600 4.60215 -6.65314 42.1086 -5.55615 39.1483 16.247 42.462 18.7665 -15.3845 TIMING: 2574600 CPU: 7672.74, 0.00299413/step Wall: 7672.74, 0.00299413/step, 2.01721 hours remaining, 206.328125 MB of memory in use. ENERGY: 2574600 737.0008 2052.9557 1968.5133 111.3856 -205912.4556 17388.1303 0.0000 0.0000 34307.0076 -149347.4623 299.6116 -183654.4698 -149252.4551 298.9281 -140.1396 -107.3101 556854.7647 9.4992 9.4553 PRESSURE: 2574800 -31.5099 -23.1154 -51.0859 -23.1151 -254.07 -14.059 -51.0856 -14.0602 -59.4405 GPRESSURE: 2574800 27.7461 -117.615 -49.4444 -67.7247 -246.171 -108.485 -78.2941 -19.9514 -37.4701 PRESSAVG: 2574800 4.23177 -30.8121 76.4864 -30.8121 14.7343 -17.456 76.4866 -17.456 21.0373 GPRESSAVG: 2574800 3.03732 -30.9893 74.9572 -32.3742 15.4019 -15.348 79.3575 -19.8797 21.608 TIMING: 2574800 CPU: 7673.34, 0.00300524/step Wall: 7673.34, 0.00300524/step, 2.02453 hours remaining, 206.328125 MB of memory in use. ENERGY: 2574800 786.0565 2022.5433 1949.8584 110.0639 -206017.4381 17689.3700 0.0000 0.0000 34150.4872 -149309.0588 298.2447 -183459.5459 -149213.8604 298.9558 -115.0066 -85.2983 558289.8747 13.3345 13.3491 PRESSURE: 2575000 -275.731 -81.4728 -27.9565 -81.472 -330.682 3.24938 -27.956 3.24814 -125.24 GPRESSURE: 2575000 -224.217 -116.693 -73.6258 -45.4538 -311.151 15.1998 6.9994 10.9609 -100.852 PRESSAVG: 2575000 7.04671 -28.9689 -17.4756 -28.9688 -15.441 -11.8731 -17.4755 -11.8732 11.4176 GPRESSAVG: 2575000 7.61183 -28.9999 -15.9544 -25.4318 -15.108 -13.4222 -19.3691 -11.3403 10.9234 TIMING: 2575000 CPU: 7673.94, 0.00299057/step Wall: 7673.94, 0.00299057/step, 2.01448 hours remaining, 206.328125 MB of memory in use. ENERGY: 2575000 753.0482 2050.9989 1939.0930 110.4286 -206068.4260 17716.9930 0.0000 0.0000 33974.7355 -149523.1289 296.7098 -183497.8644 -149420.9951 298.4698 -243.8844 -212.0733 558667.5537 1.0078 1.1424 PRESSURE: 2575200 -77.9121 86.3372 66.1064 86.337 49.038 14.2615 66.1061 14.2612 -50.6155 GPRESSURE: 2575200 41.9057 146.38 29.3735 41.5915 30.0994 -25.5203 24.7648 21.6767 -60.3195 PRESSAVG: 2575200 -46.2907 1.79188 -29.6332 1.79182 50.3831 -36.6211 -29.6332 -36.6212 -32.3789 GPRESSAVG: 2575200 -45.7965 4.34864 -31.1938 -1.93203 50.324 -35.9144 -29.4784 -37.5661 -32.3144 TIMING: 2575200 CPU: 7674.54, 0.00299085/step Wall: 7674.54, 0.00299085/step, 2.0145 hours remaining, 206.328125 MB of memory in use. ENERGY: 2575200 770.2508 2103.5744 1946.4216 111.0105 -206708.6140 18015.3385 0.0000 0.0000 34194.2433 -149567.7749 298.6268 -183762.0182 -149474.6487 297.8444 -26.4965 3.8952 557103.8813 -9.4288 -9.2623 PRESSURE: 2575400 -123.653 17.2695 -43.5556 17.2687 -6.64118 -172.182 -43.5552 -172.182 143.175 GPRESSURE: 2575400 -119.19 39.9422 27.9456 -23.9283 68.6901 -198.53 -27.5821 -197.647 177.797 PRESSAVG: 2575400 17.22 14.05 -9.4929 14.0499 9.07294 49.05 -9.493 49.0501 -19.3003 GPRESSAVG: 2575400 17.6188 12.9926 -9.01931 14.3976 9.82703 49.4244 -10.0738 49.2501 -20.0001 TIMING: 2575400 CPU: 7675.13, 0.00297977/step Wall: 7675.13, 0.00297977/step, 2.00688 hours remaining, 206.328125 MB of memory in use. ENERGY: 2575400 765.4983 2094.7914 1944.3946 107.4946 -205975.2442 17747.2127 0.0000 0.0000 33895.0666 -149420.7860 296.0140 -183315.8525 -149324.8055 298.4701 4.2935 42.4322 558306.6496 2.3309 2.4819 PRESSURE: 2575600 129.324 82.9681 20.4782 82.9686 -121.93 100.668 20.4779 100.67 38.6572 GPRESSURE: 2575600 165.231 114.531 -55.6035 93.2659 -119.154 59.373 70.096 38.409 119.673 PRESSAVG: 2575600 -1.26273 19.7888 5.97209 19.7888 1.36699 -4.00654 5.9722 -4.00655 18.3547 GPRESSAVG: 2575600 -2.47334 20.0932 6.16331 19.8954 1.72811 -4.16892 5.47687 -4.72773 19.6014 TIMING: 2575600 CPU: 7675.72, 0.00295857/step Wall: 7675.72, 0.00295857/step, 1.99243 hours remaining, 206.328125 MB of memory in use. ENERGY: 2575600 727.3064 2139.2018 1919.3009 114.7606 -206283.8879 17806.9228 0.0000 0.0000 34212.4316 -149363.9637 298.7857 -183576.3953 -149269.4494 298.2386 15.3506 55.2500 557613.6764 6.1530 6.2854 PRESSURE: 2575800 100.432 -26.6615 195.635 -26.6612 146.058 56.2884 195.634 56.2899 169.785 GPRESSURE: 2575800 157.3 -49.2928 216.543 -39.2419 150.42 72.014 184.05 0.363211 197.023 PRESSAVG: 2575800 23.1209 24.4852 41.4962 24.4852 -21.3233 -56.3951 41.4963 -56.3951 -10.623 GPRESSAVG: 2575800 23.0856 25.6859 41.9103 24.4531 -21.7174 -56.4277 41.1085 -54.4629 -10.6416 TIMING: 2575800 CPU: 7676.32, 0.00297564/step Wall: 7676.32, 0.00297564/step, 2.00377 hours remaining, 206.328125 MB of memory in use. ENERGY: 2575800 731.2747 2151.9831 1952.3142 111.3317 -206646.6942 18139.9219 0.0000 0.0000 34308.7502 -149251.1184 299.6268 -183559.8686 -149157.2468 298.5292 138.7585 168.2475 558667.6043 -2.9418 -3.0911 PRESSURE: 2576000 -366.151 110.419 -21.6913 110.419 -248.57 -70.8983 -21.6908 -70.8964 -296.273 GPRESSURE: 2576000 -335.037 84.7642 30.7503 118.191 -242.565 -27.6504 36.5204 -65.0169 -243.365 PRESSAVG: 2576000 27.627 45.0272 8.23621 45.0272 16.8051 -21.0464 8.23635 -21.0465 -32.6713 GPRESSAVG: 2576000 29.5555 43.4915 7.76198 46.7044 16.5122 -21.9832 8.22752 -21.8858 -34.0793 TIMING: 2576000 CPU: 7676.92, 0.00299973/step Wall: 7676.92, 0.00299973/step, 2.01982 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: 2576000 782.3324 2116.9682 1936.1775 105.7679 -205976.6749 17447.1083 0.0000 0.0000 34344.7785 -149243.5420 299.9415 -183588.3205 -149147.4193 299.1806 -303.6650 -273.6556 558784.9236 3.9202 3.9961 PRESSURE: 2576200 -24.7678 -136.013 11.8037 -136.012 95.2934 84.9416 11.8032 84.942 -107.919 GPRESSURE: 2576200 20.068 -146.479 -2.89854 -64.8438 87.9111 156.296 41.3638 8.51429 -51.3034 PRESSAVG: 2576200 -16.0116 -16.1267 -4.25175 -16.1266 23.0491 -18.9568 -4.25185 -18.9568 -4.38407 GPRESSAVG: 2576200 -17.9557 -18.0875 -4.30332 -15.8767 24.9318 -18.8007 -2.06966 -18.1193 -4.3528 TIMING: 2576200 CPU: 7677.52, 0.002994/step Wall: 7677.52, 0.002994/step, 2.01579 hours remaining, 206.328125 MB of memory in use. ENERGY: 2576200 753.1158 2094.9371 1945.3959 100.3601 -206367.6275 18032.5255 0.0000 0.0000 34213.6166 -149227.6763 298.7960 -183441.2929 -149132.3465 299.1535 -12.4645 18.8919 561022.6565 0.8845 0.8744 LDB: ============= START OF LOAD BALANCING ============== 7680.95 LDB: ============== END OF LOAD BALANCING =============== 7680.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7680.95 LDB: ============= START OF LOAD BALANCING ============== 7681.25 LDB: Largest compute 4821 load 0.027182 is 23.0% of average load 0.117939 LDB: Average compute 0.001738 is 1.5% of average load 0.117939 LDB: TIME 7681.25 LOAD: AVG 0.117939 MAX 0.204248 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.965 MB LDB: TIME 7681.25 LOAD: AVG 0.117939 MAX 0.204248 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.973 MB LDB: TIME 7681.25 LOAD: AVG 0.117939 MAX 0.204248 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7681.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7681.26 PRESSURE: 2576400 91.7879 25.3168 -89.464 25.3159 236.39 15.4258 -89.4622 15.4244 -82.7293 GPRESSURE: 2576400 117.225 24.3004 -121.264 5.3018 238.015 -6.4071 -115.822 -65.8814 -17.7994 PRESSAVG: 2576400 -0.579141 20.9069 78.0107 20.9069 25.1413 -12.2694 78.0108 -12.2693 -10.3699 GPRESSAVG: 2576400 0.262683 23.2668 77.6579 17.6731 23.1446 -11.883 78.0814 -13.6457 -9.87295 TIMING: 2576400 CPU: 7678.13, 0.00304206/step Wall: 7678.13, 0.00304206/step, 2.04798 hours remaining, 206.132812 MB of memory in use. ENERGY: 2576400 754.9967 2126.4755 1941.2892 107.8172 -206078.0684 17945.9142 0.0000 0.0000 34119.3935 -149082.1821 297.9731 -183201.5756 -148979.9281 298.9212 81.8163 112.4801 558846.6214 4.7308 4.5115 PRESSURE: 2576600 -272.361 6.23641 -63.0739 6.23555 -183.329 110.019 -63.0735 110.02 -218.307 GPRESSURE: 2576600 -235.756 26.6694 -71.619 -26.8836 -168.846 53.4773 -99.0645 122.468 -167.497 PRESSAVG: 2576600 -31.4748 -10.659 8.84712 -10.6591 44.8073 -39.5681 8.84716 -39.5682 33.1441 GPRESSAVG: 2576600 -33.0349 -13.1856 7.45713 -8.94557 46.324 -38.5996 9.11643 -39.093 33.1268 TIMING: 2576600 CPU: 7678.73, 0.0030194/step Wall: 7678.73, 0.0030194/step, 2.03256 hours remaining, 206.132812 MB of memory in use. ENERGY: 2576600 763.4958 2136.3627 1972.9531 123.7803 -205580.4509 17326.9387 0.0000 0.0000 34222.8339 -149034.0863 298.8765 -183256.9203 -148937.4026 299.3985 -224.6656 -190.6997 557668.9100 15.4922 15.4720 PRESSURE: 2576800 -252.3 -79.1069 103.86 -79.1081 -190.704 91.6962 103.86 91.695 -227.753 GPRESSURE: 2576800 -206.572 40.6889 64.4359 -122.984 -179.531 97.0147 171.469 -2.99026 -179.597 PRESSAVG: 2576800 -8.06544 -8.56029 31.3796 -8.56038 3.13713 -40.1229 31.3796 -40.123 13.8404 GPRESSAVG: 2576800 -7.05017 -7.47008 31.7828 -8.21271 2.23725 -41.7062 29.0955 -41.3002 14.3749 TIMING: 2576800 CPU: 7679.33, 0.00301387/step Wall: 7679.33, 0.00301387/step, 2.02867 hours remaining, 206.132812 MB of memory in use. ENERGY: 2576800 769.8004 2106.5014 1967.4612 106.1405 -206051.1542 17581.2433 0.0000 0.0000 34290.2640 -149229.7434 299.4654 -183520.0074 -149136.0795 299.6022 -223.5857 -188.5666 559349.8715 2.9707 3.1873 PRESSURE: 2577000 209.254 -2.38458 72.5347 -2.38664 7.68834 -129.518 72.5344 -129.518 131.047 GPRESSURE: 2577000 232.417 -24.2303 -13.1476 46.9527 79.8865 -129.542 124.966 -41.9529 141.112 PRESSAVG: 2577000 19.9459 -0.767368 65.2723 -0.76733 0.419665 -43.6897 65.2723 -43.6897 -12.1447 GPRESSAVG: 2577000 19.5955 -1.13244 65.5776 -1.61448 -0.260863 -41.38 66.8024 -41.6464 -11.5906 TIMING: 2577000 CPU: 7679.93, 0.00300783/step Wall: 7679.93, 0.00300783/step, 2.02444 hours remaining, 206.132812 MB of memory in use. ENERGY: 2577000 759.0837 2081.8779 1960.9620 124.4910 -206672.0129 18128.5911 0.0000 0.0000 34245.0695 -149371.9377 299.0707 -183617.0073 -149274.8768 298.9191 115.9965 151.1386 557516.8602 2.7403 2.5813 PRESSURE: 2577200 222.322 -156.269 180.838 -156.27 -98.3028 -49.451 180.837 -49.4496 231.026 GPRESSURE: 2577200 231.309 -1.59823 181.056 -245.475 -82.2566 -0.215097 166.958 -36.3137 312.617 PRESSAVG: 2577200 -0.526962 13.8757 -8.8791 13.8756 -46.5058 -23.6795 -8.87909 -23.6796 40.9146 GPRESSAVG: 2577200 -0.444867 14.2087 -9.10927 14.6334 -46.3685 -24.8134 -8.24452 -23.8433 41.0313 TIMING: 2577200 CPU: 7680.54, 0.00302407/step Wall: 7680.54, 0.00302407/step, 2.0352 hours remaining, 206.132812 MB of memory in use. ENERGY: 2577200 730.7791 2131.1466 1967.9003 116.4428 -206282.9233 17884.0588 0.0000 0.0000 34189.8144 -149262.7813 298.5882 -183452.5957 -149167.2769 298.5216 118.3486 153.8899 558350.5581 -2.0394 -1.9274 PRESSURE: 2577400 56.1802 -82.9815 131.187 -82.9821 -66.4365 83.2552 131.186 83.2558 60.6125 GPRESSURE: 2577400 175.609 -97.8447 233.225 -105.188 -24.4389 70.4989 45.97 99.4878 7.78681 PRESSAVG: 2577400 34.51 -2.01346 -4.08436 -2.01342 -43.5203 -38.0689 -4.08434 -38.0689 -7.85737 GPRESSAVG: 2577400 35.0376 -4.40973 -3.07082 -0.81666 -42.1503 -39.96 -3.91905 -35.7312 -9.3015 TIMING: 2577400 CPU: 7681.14, 0.00301561/step Wall: 7681.14, 0.00301561/step, 2.02934 hours remaining, 206.132812 MB of memory in use. ENERGY: 2577400 716.0663 2094.5893 1983.3886 110.9681 -206306.9662 17902.5963 0.0000 0.0000 34288.4925 -149210.8651 299.4499 -183499.3576 -149111.6046 298.6243 16.7854 52.9856 557564.8659 -5.6226 -5.4714 PRESSURE: 2577600 -106.314 -77.9069 -68.7239 -77.9064 -35.2979 6.15829 -68.7243 6.15779 -150.892 GPRESSURE: 2577600 -36.1367 -76.2783 -61.7135 -24.3692 -16.0434 26.4873 -74.2249 -15.8846 -144.024 PRESSAVG: 2577600 -8.13748 5.79802 -9.18477 5.79794 -29.4393 -50.071 -9.18487 -50.071 -27.956 GPRESSAVG: 2577600 -7.76539 7.50124 -8.84567 3.41906 -30.91 -48.777 -11.1145 -52.4623 -26.5834 TIMING: 2577600 CPU: 7681.74, 0.00299628/step Wall: 7681.74, 0.00299628/step, 2.01616 hours remaining, 206.132812 MB of memory in use. ENERGY: 2577600 729.3508 2164.2867 1968.5052 122.9069 -205874.9254 17549.4367 0.0000 0.0000 34148.1261 -149192.3130 298.2241 -183340.4392 -149098.9362 299.1569 -97.5013 -65.4014 558758.5185 -21.8443 -21.7529 PRESSURE: 2577800 -219.49 -89.8136 79.7581 -89.8141 16.8353 75.297 79.7592 75.2962 219.238 GPRESSURE: 2577800 -180.888 -143.825 84.0558 -85.7921 101.575 92.3102 30.5276 55.2525 195.389 PRESSAVG: 2577800 -19.3379 -40.6813 69.3115 -40.6812 67.1383 0.96548 69.3114 0.965528 -14.7248 GPRESSAVG: 2577800 -19.8383 -41.211 70.5877 -38.1032 68.3505 1.67962 68.2281 -1.58865 -15.2833 TIMING: 2577800 CPU: 7682.34, 0.00297278/step Wall: 7682.34, 0.00297278/step, 2.00019 hours remaining, 206.132812 MB of memory in use. ENERGY: 2577800 783.2594 2159.2061 1957.7917 113.5150 -206279.9763 17804.5335 0.0000 0.0000 34411.8293 -149049.8412 300.5271 -183461.6705 -148949.2801 299.3308 5.5277 38.6921 557681.9126 11.0252 11.0763 PRESSURE: 2578000 -77.0852 -22.7781 -12.1047 -22.7784 -146.125 33.0313 -12.1056 33.0312 -11.1716 GPRESSURE: 2578000 -22.805 -34.2469 34.784 -33.4326 -121.556 6.20022 -19.8527 101.441 8.84662 PRESSAVG: 2578000 -46.732 3.05367 48.9919 3.05381 29.1702 3.97766 48.9919 3.9776 52.3851 GPRESSAVG: 2578000 -45.729 3.75631 46.3194 1.8054 28.5822 2.64026 51.6974 5.79709 51.9669 TIMING: 2578000 CPU: 7682.93, 0.00297235/step Wall: 7682.93, 0.00297235/step, 1.99973 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: 2578000 746.9519 2136.5905 1935.7968 114.6032 -206218.5543 17715.2482 0.0000 0.0000 34520.9541 -149048.4096 301.4801 -183569.3637 -148949.2936 299.8168 -78.1273 -45.1713 556919.8659 11.6078 11.6067 PRESSURE: 2578200 130.256 9.47056 -43.0005 9.46981 -118.377 66.792 -42.9995 66.7929 68.3752 GPRESSURE: 2578200 234.516 -42.6693 -137.403 -20.841 -109.659 33.3845 -10.3743 -63.5558 62.3836 PRESSAVG: 2578200 -12.9281 56.2987 -2.97153 56.2988 -70.6103 1.67434 -2.97154 1.67429 36.6715 GPRESSAVG: 2578200 -13.6721 56.2055 -0.342447 55.2392 -69.6212 3.58074 -4.93543 0.7148 36.6898 TIMING: 2578200 CPU: 7683.53, 0.00297499/step Wall: 7683.53, 0.00297499/step, 2.00134 hours remaining, 206.132812 MB of memory in use. ENERGY: 2578200 739.6084 2079.8467 1936.4557 140.2274 -206235.4709 17935.5578 0.0000 0.0000 34387.3213 -149016.4535 300.3130 -183403.7749 -148918.9880 299.9126 26.7516 62.4137 556773.2031 -15.6223 -15.5345 PRESSURE: 2578400 -117.599 26.2649 -95.4579 26.2653 38.382 -157.617 -95.4577 -157.618 298.816 GPRESSURE: 2578400 -14.0646 150.44 -41.4272 -125.237 33.3048 -259.414 -183.621 -71.3231 293.445 PRESSAVG: 2578400 -24.1443 -3.20622 29.6717 -3.20616 24.9402 37.6259 29.6717 37.626 -26.5141 GPRESSAVG: 2578400 -24.0963 -2.04964 28.5126 -3.20113 23.5391 37.5618 29.3252 38.628 -25.3159 TIMING: 2578400 CPU: 7684.12, 0.00297144/step Wall: 7684.12, 0.00297144/step, 1.99879 hours remaining, 206.132812 MB of memory in use. ENERGY: 2578400 745.1895 2110.4484 1959.8563 116.8664 -206122.4558 17830.0708 0.0000 0.0000 34188.8666 -149171.1579 298.5799 -183360.0245 -149076.7015 299.7394 73.1997 104.2284 557172.3976 -8.5727 -8.6244 PRESSURE: 2578600 -119.354 46.4747 4.08035 46.4744 59.4893 -78.6931 4.07996 -78.6922 33.092 GPRESSURE: 2578600 -84.2566 97.6243 -8.99495 36.8209 107.559 -19.0076 -4.95026 -106.528 48.799 PRESSAVG: 2578600 -40.7458 -8.63573 -28.1889 -8.63583 -14.9367 -29.6675 -28.1888 -29.6675 28.0062 GPRESSAVG: 2578600 -40.9214 -10.8901 -30.2978 -6.17667 -14.6702 -30.2298 -25.0939 -30.7721 27.8256 TIMING: 2578600 CPU: 7684.72, 0.00300151/step Wall: 7684.72, 0.00300151/step, 2.01885 hours remaining, 206.132812 MB of memory in use. ENERGY: 2578600 753.4889 2113.2923 1954.3201 118.5656 -206124.6037 17805.2882 0.0000 0.0000 34355.9603 -149023.6885 300.0391 -183379.6487 -148934.6907 299.4953 -8.9244 24.0336 558712.1972 -9.2254 -9.2553 PRESSURE: 2578800 60.5632 -56.1204 -5.22154 -56.1204 -68.3667 276.569 -5.22069 276.57 8.39938 GPRESSURE: 2578800 100.717 20.483 -19.9244 -63.2239 -9.83236 313.552 3.17442 269.075 12.3235 PRESSAVG: 2578800 1.01785 -19.4875 -36.6967 -19.4874 30.8222 -10.9761 -36.6965 -10.9762 -27.4202 GPRESSAVG: 2578800 1.61184 -19.2264 -34.0736 -20.4504 30.4841 -11.8765 -39.8127 -9.67367 -28.1366 TIMING: 2578800 CPU: 7685.32, 0.00301706/step Wall: 7685.32, 0.00301706/step, 2.02914 hours remaining, 206.132812 MB of memory in use. ENERGY: 2578800 737.5167 2138.3166 1932.1657 93.9332 -206348.9245 17939.4294 0.0000 0.0000 34450.5184 -149057.0446 300.8649 -183507.5630 -148964.4761 299.6012 0.1986 34.4027 557884.9812 1.4733 1.3198 PRESSURE: 2579000 -13.7234 21.8882 -19.8603 21.8877 218.014 -73.6639 -19.8592 -73.664 35.3799 GPRESSURE: 2579000 41.5491 54.8735 -54.6581 48.5091 273.298 -62.5491 -23.8296 -101.092 2.7045 PRESSAVG: 2579000 -1.50475 18.1502 17.5444 18.15 14.6057 -23.8561 17.5444 -23.8561 26.4246 GPRESSAVG: 2579000 -0.934476 18.3792 16.4083 18.2968 15.2187 -24.2329 19.5242 -23.8449 25.9123 TIMING: 2579000 CPU: 7685.92, 0.00300366/step Wall: 7685.92, 0.00300366/step, 2.01996 hours remaining, 206.132812 MB of memory in use. ENERGY: 2579000 717.1499 2100.4250 1956.6610 124.2244 -206249.7691 17929.7548 0.0000 0.0000 34237.2425 -149184.3114 299.0024 -183421.5540 -149092.5598 298.6296 79.8900 105.8505 557828.7890 13.1752 13.3989 PRESSURE: 2579200 263.276 -44.0633 143.896 -44.0636 128.893 -5.90771 143.895 -5.90853 189.766 GPRESSURE: 2579200 316.585 -13.9231 159.147 -106.856 170.907 -8.59453 113.933 -23.1821 202.629 PRESSAVG: 2579200 -14.8793 -1.1805 8.66881 -1.18047 33.9969 -104.214 8.66875 -104.214 -19.3272 GPRESSAVG: 2579200 -15.8234 -1.50228 10.5384 -0.913202 34.0372 -102.525 7.97907 -106.778 -18.5169 TIMING: 2579200 CPU: 7686.53, 0.00303267/step Wall: 7686.53, 0.00303267/step, 2.0393 hours remaining, 206.132812 MB of memory in use. ENERGY: 2579200 727.1782 2095.9822 1915.4431 112.3674 -206475.7398 18136.5337 0.0000 0.0000 34280.7758 -149207.4593 299.3825 -183488.2351 -149112.8290 299.5611 193.9784 230.0407 557189.6057 -0.0699 -0.1010 PRESSURE: 2579400 -63.1875 -55.5101 -51.6696 -55.5095 39.0435 94.3555 -51.6699 94.3548 18.8703 GPRESSURE: 2579400 -59.5507 27.4762 -68.0627 -40.8606 108.183 136.596 -78.9183 55.4674 43.8186 PRESSAVG: 2579400 -45.4716 20.2533 -11.1524 20.2533 34.5092 14.9192 -11.1524 14.9191 -23.7816 GPRESSAVG: 2579400 -45.1667 20.3073 -10.929 21.3021 34.581 15.9586 -11.5054 16.105 -23.5574 TIMING: 2579400 CPU: 7687.13, 0.00301611/step Wall: 7687.13, 0.00301611/step, 2.028 hours remaining, 206.132812 MB of memory in use. ENERGY: 2579400 767.3298 2101.2200 1929.5254 122.0367 -206488.4810 17950.5199 0.0000 0.0000 34438.9198 -149178.9293 300.7637 -183617.8491 -149087.5364 299.4841 -1.7579 30.8169 557139.6554 -11.5814 -11.3810 PRESSURE: 2579600 61.3637 63.2048 -4.93901 63.206 77.6783 -120.672 -4.9391 -120.672 -107.819 GPRESSURE: 2579600 71.3926 -69.5542 -6.32965 129.995 129.178 -93.2505 0.202662 -141.56 -82.7959 PRESSAVG: 2579600 -17.508 -12.6743 -36.3779 -12.6742 5.68137 -24.3576 -36.3779 -24.3575 27.25 GPRESSAVG: 2579600 -18.2753 -11.7964 -36.0578 -15.1535 4.89412 -26.0025 -37.1399 -23.6849 28.1932 TIMING: 2579600 CPU: 7687.73, 0.00299709/step Wall: 7687.73, 0.00299709/step, 2.01505 hours remaining, 206.132812 MB of memory in use. ENERGY: 2579600 772.5963 2126.2704 1941.7510 125.2356 -206550.5155 18018.6311 0.0000 0.0000 34344.9134 -149221.1176 299.9427 -183566.0310 -149128.5320 299.6985 10.4078 39.2584 558146.7457 5.1411 4.9374 PRESSURE: 2579800 -295.767 80.6036 -47.234 80.6031 -163.716 64.1266 -47.2334 64.1262 -199.032 GPRESSURE: 2579800 -268.536 156.881 -20.0401 49.2437 -94.2688 -37.4389 -17.8529 89.2797 -194.545 PRESSAVG: 2579800 -39.6174 -31.4734 23.4501 -31.4733 64.1621 1.08684 23.4502 1.08686 1.04265 GPRESSAVG: 2579800 -38.2106 -30.3849 21.4292 -31.814 64.5965 0.548885 23.6861 0.630339 -1.24268 TIMING: 2579800 CPU: 7688.33, 0.00300815/step Wall: 7688.33, 0.00300815/step, 2.02231 hours remaining, 206.132812 MB of memory in use. ENERGY: 2579800 773.9399 2093.3035 1961.3088 116.2509 -205964.5236 17612.4167 0.0000 0.0000 34146.2293 -149261.0746 298.2075 -183407.3039 -149153.5992 299.1825 -219.5050 -185.7831 559164.6722 8.5291 8.3811 PRESSURE: 2580000 34.8265 -41.0878 71.7047 -41.0875 -118.795 -46.2202 71.7047 -46.2192 -246.516 GPRESSURE: 2580000 48.0592 -97.5057 -50.2994 -58.9739 -100.766 43.1715 108.04 -99.8309 -186.329 PRESSAVG: 2580000 -22.731 -14.2024 -32.9041 -14.2024 80.543 -52.0201 -32.9042 -52.02 -70.2438 GPRESSAVG: 2580000 -22.5972 -14.6969 -30.8337 -13.4475 80.512 -51.8927 -33.551 -50.465 -70.2167 TIMING: 2580000 CPU: 7688.93, 0.0030008/step Wall: 7688.93, 0.0030008/step, 2.0172 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: 2580000 742.8340 2095.5792 1950.2593 110.5833 -205875.6217 17501.3121 0.0000 0.0000 34333.2300 -149141.8239 299.8406 -183475.0539 -149037.9854 299.3279 -110.1613 -79.6786 557746.7141 -4.1439 -4.1007 PRESSURE: 2580200 -60.2597 -22.6812 -29.2159 -22.6801 5.68951 -66.5317 -29.2151 -66.5315 31.8595 GPRESSURE: 2580200 -39.4357 -88.7682 -109.053 -35.4001 71.5991 -33.9652 50.0885 -8.32168 41.8762 PRESSAVG: 2580200 17.5199 -10.3538 -39.489 -10.3539 -38.1091 -8.36292 -39.4889 -8.36288 49.5756 GPRESSAVG: 2580200 15.7564 -12.4694 -38.7058 -9.46609 -38.0418 -7.83977 -40.7158 -7.08414 50.6578 TIMING: 2580200 CPU: 7689.53, 0.00299055/step Wall: 7689.53, 0.00299055/step, 2.01015 hours remaining, 206.132812 MB of memory in use. ENERGY: 2580200 750.2773 2118.3431 1983.8843 126.1956 -206207.3452 17863.3333 0.0000 0.0000 34425.7862 -148939.5253 300.6490 -183365.3115 -148842.2281 299.5714 -7.5702 24.6799 556835.9448 9.6622 9.4575 LDB: ============= START OF LOAD BALANCING ============== 7692.96 LDB: ============== END OF LOAD BALANCING =============== 7692.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7692.96 LDB: ============= START OF LOAD BALANCING ============== 7693.26 LDB: Largest compute 4821 load 0.026982 is 22.8% of average load 0.118090 LDB: Average compute 0.001745 is 1.5% of average load 0.118090 LDB: TIME 7693.27 LOAD: AVG 0.11809 MAX 0.205874 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 7693.27 LOAD: AVG 0.11809 MAX 0.205874 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: TIME 7693.27 LOAD: AVG 0.11809 MAX 0.205874 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7693.27 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7693.27 PRESSURE: 2580400 325.551 54.9896 119.54 54.9883 41.1743 -85.9306 119.541 -85.9311 -96.4005 GPRESSURE: 2580400 366.58 -32.5268 96.9473 12.4777 8.65928 -57.4856 187.306 -88.4019 -27.3169 PRESSAVG: 2580400 31.8902 22.8769 -21.9544 22.8769 -1.50818 -50.1018 -21.9543 -50.1018 -7.44928 GPRESSAVG: 2580400 32.0581 24.9341 -23.0815 21.5864 -1.15946 -50.4268 -20.2114 -52.7905 -7.91969 TIMING: 2580400 CPU: 7690.14, 0.00305232/step Wall: 7690.14, 0.00305232/step, 2.0515 hours remaining, 207.222656 MB of memory in use. ENERGY: 2580400 734.8300 2150.7224 1963.4217 108.6528 -206145.6572 17995.4141 0.0000 0.0000 34172.5017 -149020.1144 298.4370 -183192.6162 -148921.5006 300.1550 90.1084 115.9741 557548.9521 7.6443 7.6597 PRESSURE: 2580600 76.609 -143.464 -156.569 -143.462 -56.3044 -38.0428 -156.568 -38.0425 7.52167 GPRESSURE: 2580600 112.679 -85.4216 -200.442 -274.893 -48.0626 4.84196 -197.686 34.2316 51.548 PRESSAVG: 2580600 42.6228 -49.8244 -17.6591 -49.8245 8.72546 -61.3192 -17.659 -61.3191 -4.02871 GPRESSAVG: 2580600 44.4496 -50.5277 -18.3204 -49.8444 8.90444 -60.3709 -18.1791 -60.8727 -5.85351 TIMING: 2580600 CPU: 7690.74, 0.00299138/step Wall: 7690.74, 0.00299138/step, 2.01037 hours remaining, 207.222656 MB of memory in use. ENERGY: 2580600 725.2702 2149.4853 1972.4894 127.0366 -205937.4165 17648.5779 0.0000 0.0000 34318.7745 -148995.7826 299.7144 -183314.5570 -148896.4178 299.9082 9.2754 38.7213 556990.3695 15.7732 15.8335 PRESSURE: 2580800 -62.1593 -17.5565 -52.0246 -17.5564 248.313 -58.2141 -52.0233 -58.2142 -480.31 GPRESSURE: 2580800 -10.9728 16.7469 -17.9461 72.561 223.123 -0.926275 -36.9979 -182.785 -426.987 PRESSAVG: 2580800 6.76685 5.98169 -22.7068 5.98174 -17.6239 -43.9646 -22.7068 -43.9646 -60.5502 GPRESSAVG: 2580800 5.49184 7.48066 -22.972 5.42008 -17.7212 -42.5232 -21.5402 -44.5214 -59.4042 TIMING: 2580800 CPU: 7691.34, 0.00298992/step Wall: 7691.34, 0.00298992/step, 2.00923 hours remaining, 207.222656 MB of memory in use. ENERGY: 2580800 754.8131 2120.7664 1960.8408 97.2604 -205882.5630 17652.2960 0.0000 0.0000 34395.9145 -148900.6718 300.3881 -183296.5863 -148800.7341 300.3986 -98.0523 -71.6122 557787.2483 -23.8024 -23.8779 PRESSURE: 2581000 -17.295 63.698 82.7918 63.6978 -4.35892 -229.383 82.7922 -229.384 -27.3366 GPRESSURE: 2581000 90.0819 118.744 82.3928 67.9797 24.1054 -283.044 65.4028 -179.695 -74.2071 PRESSAVG: 2581000 -39.5539 26.6014 1.58788 26.6013 41.821 -25.5213 1.58782 -25.5213 -33.8763 GPRESSAVG: 2581000 -39.5773 26.5694 1.95385 26.9694 42.7905 -27.085 2.1816 -25.2655 -34.0305 TIMING: 2581000 CPU: 7691.93, 0.00296255/step Wall: 7691.93, 0.00296255/step, 1.99067 hours remaining, 207.222656 MB of memory in use. ENERGY: 2581000 722.3884 2085.9399 1952.7974 110.4126 -206086.6152 17808.2593 0.0000 0.0000 34572.6861 -148834.1315 301.9319 -183406.8176 -148739.3836 301.2257 -16.3302 13.3267 558133.7160 -10.5364 -10.2724 PRESSURE: 2581200 58.1857 -59.641 -55.5902 -59.6409 -175.097 109.606 -55.5903 109.604 -17.0495 GPRESSURE: 2581200 78.1141 -122.3 -21.5095 -90.4556 -126.523 128.867 -146.781 70.4945 5.45672 PRESSAVG: 2581200 29.5455 -7.40659 -0.939679 -7.40653 -60.0586 7.76621 -0.939681 7.76613 26.9527 GPRESSAVG: 2581200 29.0799 -9.2875 -1.32063 -6.64843 -60.339 8.32681 -1.54376 8.08433 27.8197 TIMING: 2581200 CPU: 7692.52, 0.00295333/step Wall: 7692.52, 0.00295333/step, 1.98431 hours remaining, 207.222656 MB of memory in use. ENERGY: 2581200 782.4391 2114.2232 1951.5707 117.7085 -205906.4840 17735.1458 0.0000 0.0000 34483.2448 -148722.1519 301.1508 -183205.3967 -148624.2417 300.8200 -44.6537 -14.3175 557423.8796 -1.1868 -1.1465 PRESSURE: 2581400 -97.6455 164.458 -21.4487 164.457 58.1881 -53.5018 -21.4497 -53.5013 35.9561 GPRESSURE: 2581400 -11.891 142.819 -10.9976 178.53 14.0248 -57.3625 -74.1863 -134.557 86.9538 PRESSAVG: 2581400 -8.22062 -13.7473 -16.6057 -13.7473 6.03584 -9.51093 -16.6056 -9.51099 -32.6529 GPRESSAVG: 2581400 -8.24453 -13.7074 -14.3248 -13.3523 6.29259 -10.2629 -17.4648 -8.52362 -32.3937 TIMING: 2581400 CPU: 7693.12, 0.00298753/step Wall: 7693.12, 0.00298753/step, 2.00712 hours remaining, 207.222656 MB of memory in use. ENERGY: 2581400 742.0100 2077.8018 1930.9541 117.1734 -205802.4761 17789.5089 0.0000 0.0000 34285.2822 -148859.7458 299.4219 -183145.0280 -148761.2530 299.9360 -1.1671 29.6959 559098.5837 -11.6126 -11.4486 PRESSURE: 2581600 -42.7936 15.5987 25.6567 15.5993 -84.7551 73.0982 25.6565 73.0975 -135.014 GPRESSURE: 2581600 4.32174 -22.1492 12.4741 -29.8161 -80.9006 87.2826 123.187 156.966 -93.9142 PRESSAVG: 2581600 50.259 46.901 -66.5644 46.9011 -1.80086 48.2045 -66.5644 48.2044 -32.9946 GPRESSAVG: 2581600 51.0106 46.2308 -67.7502 48.004 -2.15811 50.1297 -67.0297 46.272 -33.6375 TIMING: 2581600 CPU: 7693.72, 0.00298547/step Wall: 7693.72, 0.00298547/step, 2.00557 hours remaining, 207.222656 MB of memory in use. ENERGY: 2581600 787.5161 2032.5750 1956.4104 113.6213 -206149.5254 17746.8159 0.0000 0.0000 34503.2069 -149009.3798 301.3251 -183512.5867 -148909.0683 299.2790 -87.5210 -56.8310 557782.6032 5.1545 5.0717 PRESSURE: 2581800 86.5172 -46.3308 98.6113 -46.3317 -56.4628 195.101 98.6122 195.101 -168.017 GPRESSURE: 2581800 107.055 -12.4784 144.992 8.5654 -52.8711 101.227 198.567 197.28 -70.9341 PRESSAVG: 2581800 45.8913 29.4734 42.3729 29.4734 -68.9735 71.6042 42.3729 71.6042 0.418655 GPRESSAVG: 2581800 45.5937 31.9231 41.0726 25.7313 -69.0651 70.4424 42.8503 71.5328 0.564682 TIMING: 2581800 CPU: 7694.31, 0.00298497/step Wall: 7694.31, 0.00298497/step, 2.00507 hours remaining, 207.222656 MB of memory in use. ENERGY: 2581800 764.2699 2115.4168 1936.6534 115.8744 -206077.2462 17782.9650 0.0000 0.0000 34320.9494 -149041.1172 299.7334 -183362.0666 -148942.2837 299.7878 -45.9875 -5.5835 558467.1226 -7.5545 -7.6356 PRESSURE: 2582000 573.291 -78.2633 140.28 -78.2641 4.70504 151.678 140.281 151.677 177.846 GPRESSURE: 2582000 576.591 14.4667 122.742 -99.9249 23.7143 216.512 177.703 143.119 248.253 PRESSAVG: 2582000 14.0532 -39.9469 36.1572 -39.947 -22.9575 29.0332 36.1573 29.0333 1.96522 GPRESSAVG: 2582000 14.1944 -40.7787 37.1084 -37.6552 -21.7962 28.3878 35.7487 30.4034 0.67846 TIMING: 2582000 CPU: 7694.9, 0.00294772/step Wall: 7694.9, 0.00294772/step, 1.97988 hours remaining, 207.222656 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: 2582000 721.6102 2142.8206 1981.3296 122.2046 -206548.6656 18153.8408 0.0000 0.0000 34235.7379 -149191.1218 298.9892 -183426.8597 -149098.8624 299.6688 251.9473 282.8527 556710.8001 -2.3130 -2.3078 PRESSURE: 2582200 184.757 -144.861 -147.027 -144.863 38.7447 -1.83591 -147.027 -1.83463 76.8699 GPRESSURE: 2582200 205.56 -63.7754 -106.683 -97.1141 84.3981 -28.0028 -194.11 75.6219 105.671 PRESSAVG: 2582200 29.6105 -32.7622 52.6469 -32.7623 0.349302 31.4763 52.6469 31.4763 -44.8488 GPRESSAVG: 2582200 30.1166 -33.3146 50.9556 -32.1313 -0.831387 33.121 54.632 31.0269 -44.4272 TIMING: 2582200 CPU: 7695.5, 0.00298363/step Wall: 7695.5, 0.00298363/step, 2.00384 hours remaining, 207.222656 MB of memory in use. ENERGY: 2582200 737.8927 2107.9407 1956.3716 113.1654 -206384.3667 17989.0977 0.0000 0.0000 34233.7592 -149246.1395 298.9719 -183479.8987 -149145.1479 298.9436 100.1238 131.8762 556714.8900 -4.9630 -5.0473 PRESSURE: 2582400 15.0717 -66.19 43.3558 -66.1913 -137.67 65.1727 43.3545 65.1746 8.38733 GPRESSURE: 2582400 15.045 -79.6465 19.6421 -37.3142 -70.5015 53.0696 42.9505 92.7909 35.209 PRESSAVG: 2582400 61.485 -32.7138 -11.8598 -32.714 -24.8614 29.706 -11.8598 29.706 -40.8059 GPRESSAVG: 2582400 60.2606 -33.3933 -11.4269 -32.7313 -24.1786 29.2889 -14.8979 28.8829 -40.2816 TIMING: 2582400 CPU: 7696.1, 0.00298936/step Wall: 7696.1, 0.00298936/step, 2.00752 hours remaining, 207.222656 MB of memory in use. ENERGY: 2582400 766.4749 2128.5030 1926.4171 111.3101 -206126.9249 17682.1541 0.0000 0.0000 34406.2639 -149105.8018 300.4785 -183512.0657 -149003.0855 298.6750 -38.0703 -6.7492 556887.9841 -1.3941 -1.3999 PRESSURE: 2582600 -5.22352 -31.2652 13.8441 -31.266 -96.1668 -231.194 13.8449 -231.195 11.4476 GPRESSURE: 2582600 63.858 52.94 34.242 -46.6107 -96.9224 -200.576 51.7728 -276.763 35.9741 PRESSAVG: 2582600 12.3898 27.3239 -36.2072 27.3239 -27.6439 -53.352 -36.2072 -53.3521 -5.64805 GPRESSAVG: 2582600 13.0085 26.9634 -35.802 25.1099 -28.7442 -54.1274 -36.42 -51.3271 -5.79076 TIMING: 2582600 CPU: 7696.7, 0.00299454/step Wall: 7696.7, 0.00299454/step, 2.01084 hours remaining, 207.222656 MB of memory in use. ENERGY: 2582600 749.8714 2060.8811 1923.4899 119.0428 -206410.7565 17957.0876 0.0000 0.0000 34347.3993 -149252.9843 299.9644 -183600.3836 -149161.8445 298.7757 -29.9809 0.9699 557497.5142 -6.9674 -7.1755 PRESSURE: 2582800 136.986 -10.8272 -113.514 -10.8265 -116.002 -11.0775 -113.515 -11.0775 47.5873 GPRESSURE: 2582800 145.64 -0.567898 -59.9296 37.1708 -70.4593 -18.7889 -122.338 -50.9413 92.0467 PRESSAVG: 2582800 -10.7122 0.062482 16.2927 0.0624395 28.3012 -14.2103 16.2927 -14.2104 -23.2983 GPRESSAVG: 2582800 -10.6997 -0.450855 16.2875 4.21184 29.3121 -15.7392 18.2947 -14.0589 -24.3923 TIMING: 2582800 CPU: 7697.29, 0.00297191/step Wall: 7697.29, 0.00297191/step, 1.99547 hours remaining, 207.222656 MB of memory in use. ENERGY: 2582800 752.5317 2080.9195 1933.7122 110.5380 -206275.8547 17961.6270 0.0000 0.0000 34206.1678 -149230.3583 298.7310 -183436.5262 -149135.8938 298.9372 22.8572 55.7425 556883.9858 -1.9031 -1.9266 PRESSURE: 2583000 71.2057 -94.3278 176.65 -94.3277 121.678 -26.5749 176.65 -26.575 263.163 GPRESSURE: 2583000 108.659 -23.8083 119.164 -102.457 149.189 14.4433 95.9896 -38.4656 282.139 PRESSAVG: 2583000 37.8807 -50.7711 -2.88988 -50.771 -7.16968 8.90503 -2.88992 8.90504 -22.2464 GPRESSAVG: 2583000 37.7458 -49.7618 -3.72589 -53.6106 -7.25692 8.61373 -2.9314 10.12 -21.6734 TIMING: 2583000 CPU: 7697.89, 0.00297362/step Wall: 7697.89, 0.00297362/step, 1.99646 hours remaining, 207.222656 MB of memory in use. ENERGY: 2583000 775.2629 2113.6289 1938.8820 119.9110 -206381.1152 18062.5094 0.0000 0.0000 34192.1933 -149178.7278 298.6089 -183370.9211 -149083.0732 298.9260 152.0155 179.9958 556486.2249 2.8215 2.9385 PRESSURE: 2583200 67.0989 72.6475 -11.1811 72.649 46.3119 -88.5654 -11.1819 -88.5645 87.018 GPRESSURE: 2583200 163.67 137.102 8.30258 62.1664 88.9348 -129.773 23.2965 -78.0748 46.2177 PRESSAVG: 2583200 80.366 -1.53686 45.82 -1.5369 -13.0293 0.806766 45.8199 0.806836 -37.2527 GPRESSAVG: 2583200 80.5299 -1.35853 47.3322 -2.58317 -12.4306 1.97589 45.3749 -2.01893 -37.8394 TIMING: 2583200 CPU: 7698.49, 0.00304036/step Wall: 7698.49, 0.00304036/step, 2.0411 hours remaining, 207.222656 MB of memory in use. ENERGY: 2583200 727.8401 2087.6036 1943.2647 107.0761 -206156.6150 17791.9200 0.0000 0.0000 34231.2880 -149267.6225 298.9504 -183498.9104 -149160.3197 299.4703 66.8096 99.6074 555438.9502 10.0280 10.0866 PRESSURE: 2583400 44.2293 32.2317 -21.8048 32.2327 -18.9263 -33.8242 -21.8048 -33.823 453.065 GPRESSURE: 2583400 45.6158 -15.0994 -12.4322 49.0976 49.446 -39.2176 -35.8315 -69.8416 477.19 PRESSAVG: 2583400 14.4582 30.9231 -33.3837 30.923 -86.3684 -3.68895 -33.3839 -3.68907 68.5968 GPRESSAVG: 2583400 13.6599 34.1206 -31.04 30.5587 -86.6007 -3.97974 -37.3229 -5.15046 69.4823 TIMING: 2583400 CPU: 7699.1, 0.0030161/step Wall: 7699.1, 0.0030161/step, 2.02464 hours remaining, 207.222656 MB of memory in use. ENERGY: 2583400 745.9862 2114.8965 1914.9796 124.3474 -206269.8896 18066.9220 0.0000 0.0000 34166.5151 -149136.2428 298.3847 -183302.7579 -149041.6689 299.5494 159.4560 190.7507 556534.7021 -1.1045 -1.1528 PRESSURE: 2583600 -101.977 115.55 66.2389 115.55 -148.311 -10.611 66.2389 -10.6101 2.20207 GPRESSURE: 2583600 -93.6788 178.302 36.558 85.8002 -137.085 48.8888 152.818 -39.9212 62.9082 PRESSAVG: 2583600 -15.514 -0.889085 13.8511 -0.888987 -15.6051 14.0009 13.8511 14.0009 8.13919 GPRESSAVG: 2583600 -15.8347 -4.0887 12.2704 -0.993405 -16.1524 14.0165 18.7276 14.795 8.46092 TIMING: 2583600 CPU: 7699.7, 0.00299809/step Wall: 7699.7, 0.00299809/step, 2.01239 hours remaining, 207.222656 MB of memory in use. ENERGY: 2583600 763.5939 2102.4563 1923.7469 110.9363 -206100.3273 17754.1416 0.0000 0.0000 34281.2205 -149164.2319 299.3864 -183445.4524 -149068.0548 299.6062 -82.6954 -55.9519 559587.7554 -7.6600 -7.8420 PRESSURE: 2583800 -368.99 -120.641 -130.868 -120.641 -22.1862 -234.314 -130.869 -234.314 -40.7545 GPRESSURE: 2583800 -342.086 -91.6318 -206.649 -105.513 2.34684 -257.808 -169.862 -237.939 -1.07083 PRESSAVG: 2583800 25.3869 9.3223 -2.19722 9.3223 72.7003 35.5999 -2.19722 35.5999 -30.2362 GPRESSAVG: 2583800 26.3099 10.0538 -3.2341 10.6749 72.6523 36.9618 -4.18978 35.8496 -31.0819 TIMING: 2583800 CPU: 7700.3, 0.00298747/step Wall: 7700.3, 0.00298747/step, 2.00509 hours remaining, 207.222656 MB of memory in use. ENERGY: 2583800 777.0993 2105.0549 1926.6794 118.9456 -206046.3216 17658.7263 0.0000 0.0000 34240.3343 -149219.4819 299.0294 -183459.8162 -149125.9664 299.4144 -143.9770 -113.6034 557741.5604 22.6170 22.6267 PRESSURE: 2584000 311.946 71.0956 -118.339 71.0955 176.737 5.20152 -118.339 5.20124 -16.4645 GPRESSURE: 2584000 258.257 53.7818 -77.7178 198.53 220.743 -16.0934 -169.535 11.5102 65.6254 PRESSAVG: 2584000 -3.7312 12.8777 -18.5915 12.8777 -5.94433 64.2858 -18.5915 64.2858 2.06296 GPRESSAVG: 2584000 -4.9573 13.463 -17.3106 12.3146 -5.72962 63.4932 -15.8034 64.4823 2.67544 TIMING: 2584000 CPU: 7700.89, 0.00298934/step Wall: 7700.89, 0.00298934/step, 2.00618 hours remaining, 207.222656 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: 2584000 724.8415 2098.9366 1965.9659 111.5243 -206843.8412 18228.4806 0.0000 0.0000 34487.3616 -149226.7306 301.1867 -183714.0922 -149129.2200 299.0689 157.4061 181.5418 556404.1773 -2.5375 -2.6705 PRESSURE: 2584200 -207.867 71.0748 30.7858 71.0749 -312.685 -20.075 30.7869 -20.0756 -17.8632 GPRESSURE: 2584200 -112.38 20.782 -23.7592 82.0349 -319.648 15.6222 72.5702 -35.3161 -3.54602 PRESSAVG: 2584200 10.9893 26.3033 -24.5004 26.3032 6.16339 77.9633 -24.5003 77.963 -0.765221 GPRESSAVG: 2584200 11.9675 24.5665 -26.403 26.1668 7.49419 76.9965 -25.5517 77.4455 -2.84971 TIMING: 2584200 CPU: 7701.49, 0.00298912/step Wall: 7701.49, 0.00298912/step, 2.00587 hours remaining, 207.222656 MB of memory in use. ENERGY: 2584200 768.1991 2056.5686 1953.7239 114.0746 -206163.6702 17641.2225 0.0000 0.0000 34399.1420 -149230.7395 300.4163 -183629.8815 -149126.1370 298.9273 -179.4717 -145.1915 557892.8505 5.4625 5.5373 LDB: ============= START OF LOAD BALANCING ============== 7704.92 LDB: ============== END OF LOAD BALANCING =============== 7704.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7704.92 LDB: ============= START OF LOAD BALANCING ============== 7705.22 LDB: Largest compute 4821 load 0.027111 is 23.0% of average load 0.117997 LDB: Average compute 0.001736 is 1.5% of average load 0.117997 LDB: TIME 7705.23 LOAD: AVG 0.117997 MAX 0.200444 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 7705.23 LOAD: AVG 0.117997 MAX 0.200444 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.312 MB LDB: TIME 7705.23 LOAD: AVG 0.117997 MAX 0.200444 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.312 MB LDB: ============== END OF LOAD BALANCING =============== 7705.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7705.23 PRESSURE: 2584400 46.1813 2.0919 126.867 2.09084 -83.3742 -80.0191 126.866 -80.019 -23.7062 GPRESSURE: 2584400 95.2974 -49.3579 144.366 -39.034 -28.5286 -123.225 105.564 -100.807 -14.532 PRESSAVG: 2584400 -19.7794 18.4296 -2.64098 18.4296 -9.83278 -60.4232 -2.64104 -60.4232 -30.4127 GPRESSAVG: 2584400 -19.4545 20.3123 -0.596168 19.7535 -11.6799 -57.7474 -4.10358 -60.8872 -28.7004 TIMING: 2584400 CPU: 7702.1, 0.00305485/step Wall: 7702.1, 0.00305485/step, 2.0498 hours remaining, 208.312500 MB of memory in use. ENERGY: 2584400 783.6657 2092.0688 1949.9950 110.3533 -206344.1823 17940.4085 0.0000 0.0000 34133.9996 -149333.6914 298.1007 -183467.6911 -149235.3374 299.4920 -20.2997 17.4123 556958.3842 -20.0083 -19.9449 PRESSURE: 2584600 -186.722 16.1514 138.08 16.1517 119.904 -12.4448 138.08 -12.4434 -365.365 GPRESSURE: 2584600 -169.759 -20.6132 96.8695 18.4689 153.424 -46.3278 248.293 -8.98446 -312.89 PRESSAVG: 2584600 8.45861 4.73842 22.9247 4.73837 50.4259 -24.0897 22.9247 -24.0896 -18.5986 GPRESSAVG: 2584600 7.76875 3.98492 22.7419 4.22338 51.5538 -25.3801 24.6002 -22.3001 -18.6232 TIMING: 2584600 CPU: 7702.7, 0.00300711/step Wall: 7702.7, 0.00300711/step, 2.0176 hours remaining, 208.312500 MB of memory in use. ENERGY: 2584600 754.9610 2141.4026 1925.6347 118.6192 -205943.8914 17679.7305 0.0000 0.0000 34115.2329 -149208.3106 297.9368 -183323.5435 -149118.1316 299.0039 -144.0611 -109.7419 558537.3320 13.4286 13.5664 PRESSURE: 2584800 42.9525 61.7442 -177.56 61.7444 2.37797 -161.016 -177.559 -161.016 218.062 GPRESSURE: 2584800 112.757 63.2756 -196.091 176.504 39.6595 -56.6572 -194.422 -199.265 211.998 PRESSAVG: 2584800 -31.9379 -12.7793 -4.11615 -12.7793 19.3171 -44.2016 -4.11622 -44.2016 -9.48656 GPRESSAVG: 2584800 -32.362 -10.6407 -6.29423 -13.3251 19.778 -43.5054 -3.94581 -44.6396 -9.85762 TIMING: 2584800 CPU: 7703.3, 0.00299289/step Wall: 7703.3, 0.00299289/step, 2.0079 hours remaining, 208.312500 MB of memory in use. ENERGY: 2584800 696.1399 2180.8743 1917.6105 100.5028 -206035.1354 17685.4885 0.0000 0.0000 34275.0195 -149179.4999 299.3323 -183454.5194 -149088.7079 299.2643 87.7976 121.4715 557322.0809 -7.3691 -7.4805 PRESSURE: 2585000 -187.636 -89.0712 -137.066 -89.0713 -6.71951 -93.0974 -137.066 -93.0976 -285.319 GPRESSURE: 2585000 -141.968 -70.4513 -148.305 -92.3643 -2.98127 -28.1133 -106.063 -119.896 -236.87 PRESSAVG: 2585000 46.2699 -6.06639 -36.9838 -6.06637 -19.5468 -13.0812 -36.9838 -13.0812 -11.785 GPRESSAVG: 2585000 46.9932 -6.56348 -37.5718 -6.64032 -20.3303 -13.6885 -36.4875 -12.1488 -11.3338 TIMING: 2585000 CPU: 7703.9, 0.0029759/step Wall: 7703.9, 0.0029759/step, 1.99633 hours remaining, 208.312500 MB of memory in use. ENERGY: 2585000 778.6369 2099.0879 1940.8818 109.2982 -206156.4209 17780.6045 0.0000 0.0000 34405.3871 -149042.5245 300.4708 -183447.9116 -148949.8154 300.2628 -159.8915 -127.2731 557177.1610 4.9794 5.1097 PRESSURE: 2585200 -85.217 -125.167 69.6182 -125.167 -169.777 165.736 69.6174 165.738 88.0992 GPRESSURE: 2585200 -29.9655 -112.573 34.5175 -112.56 -130.602 144.409 60.8963 248.228 93.2196 PRESSAVG: 2585200 -7.48083 -30.7812 5.19728 -30.7813 15.7872 23.6652 5.19724 23.6651 40.6266 GPRESSAVG: 2585200 -7.24788 -33.6095 4.5127 -29.5982 14.6413 22.0279 4.37651 22.4553 41.4918 TIMING: 2585200 CPU: 7704.49, 0.00298872/step Wall: 7704.49, 0.00298872/step, 2.00477 hours remaining, 208.312500 MB of memory in use. ENERGY: 2585200 748.9516 2061.9918 1930.3121 116.3518 -205598.5444 17543.5340 0.0000 0.0000 34012.4076 -149184.9955 297.0388 -183197.4031 -149089.8235 300.0019 -55.6315 -22.4494 556795.9946 16.3110 16.2951 PRESSURE: 2585400 -287.741 98.9337 -8.4046 98.9345 -17.0141 -58.3717 -8.40568 -58.3713 -232.432 GPRESSURE: 2585400 -263.344 67.6955 -76.3202 73.5513 75.8176 -68.4158 -10.1038 1.2471 -255.518 PRESSAVG: 2585400 41.5732 -49.6571 8.09951 -49.6571 -6.84707 -5.37897 8.09947 -5.37898 -21.6288 GPRESSAVG: 2585400 43.0184 -46.6444 10.0234 -50.5021 -6.78399 -5.12242 8.47585 -4.19676 -22.6493 TIMING: 2585400 CPU: 7705.1, 0.00303649/step Wall: 7705.1, 0.00303649/step, 2.03664 hours remaining, 208.312500 MB of memory in use. ENERGY: 2585400 746.0591 2173.0806 1918.6504 109.4286 -205750.8230 17526.4039 0.0000 0.0000 34218.2048 -149058.9955 298.8361 -183277.2003 -148966.9067 299.7991 -179.0622 -147.6815 556950.7429 4.3658 4.5284 PRESSURE: 2585600 74.1502 6.4461 116.865 6.44717 102.172 -103.029 116.865 -103.029 47.3572 GPRESSURE: 2585600 109.804 21.2228 7.7624 28.6132 102.312 -66.7299 182.432 -118.923 104.125 PRESSAVG: 2585600 16.6368 2.48752 -21.0976 2.48747 -8.151 23.8846 -21.0976 23.8846 20.4668 GPRESSAVG: 2585600 15.3564 0.699752 -22.9049 2.68169 -7.60195 23.7608 -19.7567 20.9113 21.2072 TIMING: 2585600 CPU: 7705.71, 0.00301758/step Wall: 7705.71, 0.00301758/step, 2.02379 hours remaining, 208.312500 MB of memory in use. ENERGY: 2585600 752.7225 2088.4352 1973.2363 119.8879 -206037.7343 17804.8334 0.0000 0.0000 34183.3852 -149115.2338 298.5320 -183298.6190 -149013.8800 299.3172 74.5597 105.4137 555651.0643 9.6509 9.6539 PRESSURE: 2585800 -64.7898 47.523 -80.8011 47.5237 -23.0609 13.6247 -80.8021 13.6261 -38.8551 GPRESSURE: 2585800 0.199195 -23.3067 9.41929 37.3613 6.88839 -62.6092 -138.694 50.1467 -28.8207 PRESSAVG: 2585800 -73.7599 21.4515 -28.3109 21.4516 38.6896 0.554791 -28.3109 0.554826 14.4687 GPRESSAVG: 2585800 -73.4235 22.2941 -26.6284 21.1285 38.5415 -0.0263238 -29.4139 2.73452 14.0726 TIMING: 2585800 CPU: 7706.31, 0.0029981/step Wall: 7706.31, 0.0029981/step, 2.01056 hours remaining, 208.312500 MB of memory in use. ENERGY: 2585800 746.8932 2039.1761 1962.6331 110.3039 -205832.7804 17689.6413 0.0000 0.0000 34313.2471 -148970.8857 299.6661 -183284.1328 -148876.4195 299.4928 -42.2353 -7.2444 556446.6178 -6.8672 -6.9364 PRESSURE: 2586000 -77.9133 -154.924 -26.5865 -154.926 266.355 -32.342 -26.5858 -32.3418 31.0075 GPRESSURE: 2586000 -29.7295 -77.6056 -58.2599 -173.624 299.202 99.9692 -3.91207 -133.053 47.9679 PRESSAVG: 2586000 -23.0329 -28.97 -13.729 -28.97 15.273 40.0565 -13.729 40.0565 16.8778 GPRESSAVG: 2586000 -23.2747 -29.3974 -14.1919 -28.3938 15.7551 41.314 -14.0535 38.8232 17.018 TIMING: 2586000 CPU: 7706.9, 0.00297093/step Wall: 7706.9, 0.00297093/step, 1.99217 hours remaining, 208.312500 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: 2586000 729.9930 2130.1671 1941.5591 109.4850 -205964.8731 17735.3234 0.0000 0.0000 34287.4147 -149030.9309 299.4405 -183318.3455 -148943.0833 299.9281 73.1498 105.8136 557591.9838 3.0393 3.1661 PRESSURE: 2586200 -233.752 -114.336 145.183 -114.337 -106.396 4.75988 145.183 4.75863 -105.473 GPRESSURE: 2586200 -159.759 -116.022 149.912 -38.1754 -32.2058 -39.9809 115.414 44.9016 -160.466 PRESSAVG: 2586200 -43.1893 45.6281 7.4946 45.6281 60.1061 71.5524 7.49454 71.5525 -37.5875 GPRESSAVG: 2586200 -43.1769 45.3591 6.64088 47.2136 60.5518 72.3132 7.25449 71.5903 -38.1447 TIMING: 2586200 CPU: 7707.49, 0.00297615/step Wall: 7707.49, 0.00297615/step, 1.99551 hours remaining, 208.312500 MB of memory in use. ENERGY: 2586200 762.2144 2053.6966 1974.9575 105.9528 -205729.8990 17446.4470 0.0000 0.0000 34455.0706 -148931.5601 300.9047 -183386.6307 -148829.2822 300.2338 -148.5404 -117.4770 558651.8786 -6.8902 -6.9233 PRESSURE: 2586400 -248.821 14.0008 -8.35413 14.0012 -237.309 -10.7193 -8.35354 -10.719 250.87 GPRESSURE: 2586400 -236.301 70.6932 9.49679 -6.9734 -222.251 83.0284 -19.747 90.6195 323.275 PRESSAVG: 2586400 -42.7256 39.5491 59.0843 39.5492 -54.522 59.3904 59.0842 59.3903 98.6496 GPRESSAVG: 2586400 -43.6741 39.693 59.0456 39.1363 -54.7704 57.7986 60.2579 60.713 99.779 TIMING: 2586400 CPU: 7708.09, 0.00298826/step Wall: 7708.09, 0.00298826/step, 2.00346 hours remaining, 208.312500 MB of memory in use. ENERGY: 2586400 734.0620 2091.7884 1938.7133 105.3722 -205951.8363 17673.6482 0.0000 0.0000 34462.6788 -148945.5734 300.9711 -183408.2522 -148848.3404 299.8961 -78.4201 -45.0927 557661.1560 0.4673 0.4448 PRESSURE: 2586600 -7.78121 5.87012 -80.4448 5.86834 8.91936 48.5755 -80.4456 48.5736 -56.511 GPRESSURE: 2586600 -21.0617 23.5695 -47.5861 -21.5271 48.4647 53.0349 -95.7547 5.78763 7.30623 PRESSAVG: 2586600 -18.6158 -47.0966 12.1289 -47.0966 -22.2314 4.96816 12.1289 4.96816 49.7005 GPRESSAVG: 2586600 -18.7582 -46.7234 14.1913 -48.6983 -23.007 5.50453 13.3349 3.19885 50.3159 TIMING: 2586600 CPU: 7708.69, 0.00301032/step Wall: 7708.69, 0.00301032/step, 2.01809 hours remaining, 208.312500 MB of memory in use. ENERGY: 2586600 741.0514 2148.4799 1962.0516 114.2346 -206111.4860 17841.9852 0.0000 0.0000 34452.3900 -148851.2933 300.8813 -183303.6833 -148762.4490 300.3897 -18.4576 11.5698 557966.7211 2.9511 2.8502 PRESSURE: 2586800 -163.808 -126.512 11.1634 -126.513 -131.534 -123.577 11.1628 -123.576 165.223 GPRESSURE: 2586800 -155.27 -117.989 27.3377 -155.4 -125.498 -145.796 52.6791 -94.7254 230.641 PRESSAVG: 2586800 3.41732 -13.7182 4.23443 -13.7181 -46.3775 -20.1412 4.23442 -20.1413 22.681 GPRESSAVG: 2586800 4.33059 -14.3684 0.852513 -13.0147 -45.8386 -20.2098 5.54419 -19.0614 21.3745 TIMING: 2586800 CPU: 7709.29, 0.00298563/step Wall: 7709.29, 0.00298563/step, 2.00137 hours remaining, 208.312500 MB of memory in use. ENERGY: 2586800 732.6257 2085.6129 1949.8347 111.8652 -205787.0330 17667.2794 0.0000 0.0000 34447.9496 -148791.8656 300.8425 -183239.8152 -148686.3702 299.7923 -43.3733 -16.7090 558599.2361 -6.7597 -6.7112 PRESSURE: 2587000 92.284 31.6152 -76.3777 31.6149 211.53 -67.9287 -76.3772 -67.9292 -122.677 GPRESSURE: 2587000 139.668 106.63 -95.2722 2.23038 174.712 -59.2824 43.7346 10.7655 -51.535 PRESSAVG: 2587000 -32.3706 -32.3841 59.7841 -32.3841 -26.0183 14.8466 59.7841 14.8465 23.8728 GPRESSAVG: 2587000 -32.4876 -30.9014 60.4906 -33.48 -25.5625 14.4057 57.0097 15.0315 23.5741 TIMING: 2587000 CPU: 7709.88, 0.00296054/step Wall: 7709.88, 0.00296054/step, 1.98439 hours remaining, 208.312500 MB of memory in use. ENERGY: 2587000 770.4892 2119.1091 1944.6215 116.0881 -205926.8664 17695.4218 0.0000 0.0000 34512.7027 -148768.4340 301.4080 -183281.1367 -148676.1179 300.7680 60.3789 87.6149 557659.2526 -11.5054 -11.4920 PRESSURE: 2587200 -104.06 -111.472 63.806 -111.472 -151.268 -61.5037 63.8056 -61.5021 -339.373 GPRESSURE: 2587200 -63.842 -58.2258 35.3101 -91.0341 -106.134 -20.1042 24.9679 -120.032 -313.114 PRESSAVG: 2587200 -21.1257 -21.0905 25.6371 -21.0905 12.1884 -49.3104 25.6371 -49.3105 -17.4329 GPRESSAVG: 2587200 -21.9503 -22.5618 25.5804 -19.6041 13.1303 -50.7017 25.4482 -49.3453 -17.6551 TIMING: 2587200 CPU: 7710.48, 0.00298433/step Wall: 7710.48, 0.00298433/step, 2.00017 hours remaining, 208.312500 MB of memory in use. ENERGY: 2587200 747.5694 2067.2541 1963.8467 122.4181 -205632.5160 17449.2057 0.0000 0.0000 34281.1753 -149001.0469 299.3860 -183282.2222 -148898.5014 300.2735 -198.2340 -161.0300 557932.6839 -8.7901 -8.8250 PRESSURE: 2587400 -35.3069 -72.4635 -83.4233 -72.4624 27.9273 109.138 -83.4228 109.137 -208.642 GPRESSURE: 2587400 24.0231 -21.1008 -157.133 -99.6983 4.05354 150.825 -46.1265 99.9633 -146.825 PRESSAVG: 2587400 46.5062 -17.5366 -31.6404 -17.5366 46.9263 23.3869 -31.6404 23.3869 -77.6104 GPRESSAVG: 2587400 45.9437 -15.829 -31.2416 -18.4833 46.2144 24.4698 -30.9963 23.4383 -76.4333 TIMING: 2587400 CPU: 7711.08, 0.00299369/step Wall: 7711.08, 0.00299369/step, 2.00627 hours remaining, 208.312500 MB of memory in use. ENERGY: 2587400 750.0443 2098.7751 1966.4252 99.5133 -205985.7723 17700.8253 0.0000 0.0000 34256.0108 -149114.1783 299.1663 -183370.1891 -149019.4910 299.3242 -72.0071 -39.5829 558116.4224 5.2740 5.2416 PRESSURE: 2587600 273.453 -98.4803 79.5417 -98.4793 359.516 7.5134 79.5411 7.51264 78.7605 GPRESSURE: 2587600 394.839 -106.252 91.6695 -75.4157 359.078 -55.4881 73.4499 75.6748 70.286 PRESSAVG: 2587600 40.2789 -3.26462 32.2778 -3.26457 -79.2643 1.50907 32.2778 1.50915 -19.6776 GPRESSAVG: 2587600 42.5059 -4.33537 33.3075 -1.10729 -79.1252 1.60885 34.0207 -0.566229 -21.1475 TIMING: 2587600 CPU: 7711.68, 0.00298387/step Wall: 7711.68, 0.00298387/step, 1.99952 hours remaining, 208.312500 MB of memory in use. ENERGY: 2587600 745.5169 2078.2684 1945.1086 126.2447 -206463.1117 18025.5073 0.0000 0.0000 34510.6799 -149031.7860 301.3904 -183542.4659 -148936.8304 300.2812 237.2431 274.7342 556440.0119 -19.5543 -19.2556 PRESSURE: 2587800 -100.92 99.7521 122.335 99.752 -76.631 27.8872 122.334 27.8854 -68.6786 GPRESSURE: 2587800 -48.0414 120.838 167.516 117.277 -28.7667 -121.695 136.725 51.1323 -62.7063 PRESSAVG: 2587800 -39.5541 42.9021 47.9784 42.9021 45.9939 -32.9475 47.9785 -32.9474 -28.0879 GPRESSAVG: 2587800 -40.155 43.1377 47.6944 42.3932 45.3207 -32.4344 46.9771 -30.9039 -27.6464 TIMING: 2587800 CPU: 7712.28, 0.00299948/step Wall: 7712.28, 0.00299948/step, 2.00982 hours remaining, 208.312500 MB of memory in use. ENERGY: 2587800 751.7086 2098.4054 1957.9620 117.3648 -206264.0728 17880.8767 0.0000 0.0000 34507.7592 -148949.9961 301.3648 -183457.7553 -148858.9794 299.3427 -82.0764 -46.5048 559259.8528 -7.2160 -7.4936 PRESSURE: 2588000 0.3928 -90.3365 -85.0407 -90.3358 65.2499 27.2916 -85.0416 27.2911 63.9104 GPRESSURE: 2588000 -11.7846 -58.7203 -11.9517 -143.892 94.2373 25.379 -110.655 62.6164 135.174 PRESSAVG: 2588000 -19.1543 -29.084 13.8163 -29.0838 3.3215 19.4182 13.8163 19.4182 59.7284 GPRESSAVG: 2588000 -20.5681 -27.2186 14.2733 -30.5589 3.95696 19.9921 13.8814 17.4602 60.0734 TIMING: 2588000 CPU: 7712.88, 0.00301056/step Wall: 7712.88, 0.00301056/step, 2.01707 hours remaining, 208.312500 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: 2588000 722.8928 2097.2572 1941.8605 121.7863 -205933.7414 17890.0443 0.0000 0.0000 34230.4405 -148929.4597 298.9430 -183159.9002 -148829.2752 299.6306 43.1844 72.5422 558234.1550 14.6319 14.4874 PRESSURE: 2588200 162.388 12.1988 198.606 12.1985 17.6858 33.1626 198.607 33.1606 279.086 GPRESSURE: 2588200 230.224 22.676 133.743 8.97093 17.2959 62.0526 177.209 -12.095 315.92 PRESSAVG: 2588200 -27.3432 -20.5425 13.6172 -20.5425 -15.4474 19.9965 13.6172 19.9965 22.6649 GPRESSAVG: 2588200 -26.6517 -23.3029 14.7175 -19.1454 -15.5921 18.1015 13.8539 20.0274 21.8783 TIMING: 2588200 CPU: 7713.48, 0.00300728/step Wall: 7713.48, 0.00300728/step, 2.01471 hours remaining, 208.312500 MB of memory in use. ENERGY: 2588200 721.9517 2076.3453 1966.4429 114.6564 -206123.6472 17793.8922 0.0000 0.0000 34503.0808 -148947.2780 301.3240 -183450.3588 -148849.2851 299.3472 153.0534 187.8131 557483.9149 -6.7086 -6.7885 LDB: ============= START OF LOAD BALANCING ============== 7716.91 LDB: ============== END OF LOAD BALANCING =============== 7716.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7716.91 LDB: ============= START OF LOAD BALANCING ============== 7717.21 LDB: Largest compute 4821 load 0.027984 is 23.7% of average load 0.118085 LDB: Average compute 0.001741 is 1.5% of average load 0.118085 LDB: TIME 7717.21 LOAD: AVG 0.118085 MAX 0.205705 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.066 MB LDB: TIME 7717.21 LOAD: AVG 0.118085 MAX 0.205705 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.27 MB LDB: TIME 7717.21 LOAD: AVG 0.118085 MAX 0.205705 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7717.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7717.22 PRESSURE: 2588400 54.7405 -74.6676 118.696 -74.668 -249.355 20.2364 118.695 20.2368 -33.3425 GPRESSURE: 2588400 32.8867 -55.893 154.203 -12.1951 -159.526 -12.0945 209.035 8.16742 -9.76397 PRESSAVG: 2588400 51.634 2.71802 71.825 2.71797 -87.8465 41.1403 71.825 41.1402 -2.05819 GPRESSAVG: 2588400 51.7118 2.87459 70.0043 5.3616 -87.695 40.9497 72.1324 42.9955 -2.52642 TIMING: 2588400 CPU: 7714.09, 0.00305513/step Wall: 7714.09, 0.00305513/step, 2.0466 hours remaining, 205.226562 MB of memory in use. ENERGY: 2588400 715.4329 2066.3398 1922.0237 105.7700 -205763.5993 17599.2718 0.0000 0.0000 34418.8375 -148935.9235 300.5883 -183354.7610 -148838.0065 299.9957 -75.9858 -45.4678 559218.3775 -12.7569 -12.8365 PRESSURE: 2588600 -21.6621 77.5872 -167.281 77.5873 152.377 174.699 -167.282 174.701 131.887 GPRESSURE: 2588600 25.0818 63.084 -195.234 4.0734 188.352 270.241 -110.274 126.022 150.5 PRESSAVG: 2588600 -6.61481 13.5398 76.6743 13.5399 -5.63634 5.57016 76.6742 5.57015 3.22706 GPRESSAVG: 2588600 -6.08972 14.2699 76.3866 10.1527 -5.82307 5.06688 76.3891 4.10449 3.24098 TIMING: 2588600 CPU: 7714.69, 0.00299611/step Wall: 7714.69, 0.00299611/step, 2.0069 hours remaining, 205.226562 MB of memory in use. ENERGY: 2588600 738.7281 2072.8648 1923.8938 130.2290 -206168.2912 18033.8053 0.0000 0.0000 34396.2570 -148872.5132 300.3911 -183268.7702 -148773.4343 300.0002 87.5341 121.3113 558531.6165 -3.0080 -2.8906 PRESSURE: 2588800 -320.097 -117.047 87.9704 -117.047 -2.6674 -108.16 87.9706 -108.159 40.6009 GPRESSURE: 2588800 -289.133 -158.48 122.602 -117.696 12.6154 -134.741 68.966 -160.353 87.9523 PRESSAVG: 2588800 -34.0449 24.2512 56.2342 24.2512 -26.396 25.864 56.2343 25.864 18.8016 GPRESSAVG: 2588800 -33.1745 21.9867 57.8116 24.685 -28.0111 29.4346 55.1796 23.5609 19.1407 TIMING: 2588800 CPU: 7715.29, 0.00299005/step Wall: 7715.29, 0.00299005/step, 2.00267 hours remaining, 205.226562 MB of memory in use. ENERGY: 2588800 754.2594 2105.4198 1942.1099 108.0031 -205612.0035 17605.0285 0.0000 0.0000 34101.0549 -148996.1280 297.8130 -183097.1829 -148897.9878 299.8677 -94.0546 -62.8551 559949.4033 -13.8797 -14.0150 PRESSURE: 2589000 -14.1182 -152.551 -53.077 -152.55 -123.426 -97.2555 -53.0772 -97.256 10.4404 GPRESSURE: 2589000 5.95685 -126.613 -39.3489 -177.004 -112.481 -60.1206 -117.629 -175.867 79.2338 PRESSAVG: 2589000 8.42121 36.3109 -11.4294 36.3107 -2.39148 -73.6888 -11.4293 -73.6888 -9.75505 GPRESSAVG: 2589000 7.3744 38.7473 -12.232 33.9462 -0.796845 -76.2988 -13.2186 -71.2748 -10.6638 TIMING: 2589000 CPU: 7715.88, 0.00298104/step Wall: 7715.88, 0.00298104/step, 1.99647 hours remaining, 205.226562 MB of memory in use. ENERGY: 2589000 779.5126 2056.2647 1946.8156 118.5595 -206121.3190 17707.7765 0.0000 0.0000 34370.6109 -149141.7792 300.1671 -183512.3901 -149050.3078 299.3495 -42.3680 -9.0969 558187.1913 -1.2418 -1.3621 PRESSURE: 2589200 -202.227 -96.4346 29.3611 -96.435 -151.983 52.1809 29.3611 52.1805 -340.163 GPRESSURE: 2589200 -145.663 -85.4502 9.78409 -66.1142 -104.417 33.4844 3.13887 -17.478 -355.318 PRESSAVG: 2589200 13.1318 18.1887 30.5354 18.1887 26.775 -40.6744 30.5353 -40.6744 2.16666 GPRESSAVG: 2589200 12.551 20.2532 30.6477 18.8201 27.843 -40.3846 31.5075 -41.9261 1.56586 TIMING: 2589200 CPU: 7716.48, 0.00297789/step Wall: 7716.48, 0.00297789/step, 1.9942 hours remaining, 205.226562 MB of memory in use. ENERGY: 2589200 726.2728 2051.3729 1948.9594 113.6351 -206150.7868 17689.1616 0.0000 0.0000 34366.6831 -149254.7020 300.1328 -183621.3850 -149152.3018 299.7052 -231.4579 -201.7993 559213.3960 14.0245 13.9866 PRESSURE: 2589400 -117.567 80.92 204.184 80.9199 -137.617 3.03931 204.184 3.04094 117.915 GPRESSURE: 2589400 -99.2529 68.8639 240.315 144.894 -66.8832 75.7143 115.745 24.6759 129.418 PRESSAVG: 2589400 -78.3922 3.94097 47.023 3.94092 3.95704 7.34193 47.023 7.342 106.555 GPRESSAVG: 2589400 -78.7839 1.77092 45.4237 5.70039 2.85661 7.43017 48.6867 8.03946 107.622 TIMING: 2589400 CPU: 7717.07, 0.00297775/step Wall: 7717.07, 0.00297775/step, 1.99394 hours remaining, 205.226562 MB of memory in use. ENERGY: 2589400 775.7893 2093.6090 1945.6735 115.8045 -206297.3218 17851.8631 0.0000 0.0000 34302.0878 -149212.4946 299.5687 -183514.5824 -149120.5474 299.7442 -45.7562 -12.2394 556943.4589 10.7066 10.5649 PRESSURE: 2589600 -83.4453 -77.7149 17.0738 -77.7155 -192.238 -36.0945 17.0739 -36.0951 94.9448 GPRESSURE: 2589600 -25.6512 -4.97537 12.5039 -66.1413 -175.678 -32.3311 106.648 -19.5943 128.199 PRESSAVG: 2589600 -38.6753 -19.3817 54.2926 -19.3818 -62.3961 54.1336 54.2926 54.1337 92.6889 GPRESSAVG: 2589600 -38.3725 -18.5996 55.7494 -20.4104 -63.0784 54.3174 53.0511 53.9345 93.3761 TIMING: 2589600 CPU: 7717.67, 0.00299347/step Wall: 7717.67, 0.00299347/step, 2.0043 hours remaining, 205.226562 MB of memory in use. ENERGY: 2589600 773.1145 2080.5122 1942.7250 113.8916 -206080.6946 17820.9506 0.0000 0.0000 34113.2413 -149236.2595 297.9194 -183349.5008 -149136.4359 299.2481 -60.2463 -24.3768 559094.6656 -2.7942 -2.6916 PRESSURE: 2589800 -47.3252 -90.5147 56.7753 -90.5149 75.0543 126.038 56.7759 126.037 -31.5604 GPRESSURE: 2589800 -4.49322 -41.1394 103.108 -102.955 111.448 86.9598 136.92 152.479 0.324234 PRESSAVG: 2589800 -56.6185 39.5984 11.5422 39.5984 -40.4173 17.7489 11.5422 17.7489 92.4837 GPRESSAVG: 2589800 -56.0513 36.9524 11.1985 41.6689 -40.6331 17.116 12.2668 17.5726 92.0646 TIMING: 2589800 CPU: 7718.27, 0.00297791/step Wall: 7718.27, 0.00297791/step, 1.99371 hours remaining, 205.226562 MB of memory in use. ENERGY: 2589800 749.4980 2092.9166 1925.9638 116.4999 -206135.6247 17673.5615 0.0000 0.0000 34424.8297 -149152.3552 300.6406 -183577.1849 -149050.0956 299.6050 -1.2771 35.7597 558110.2848 -1.5174 -1.5399 PRESSURE: 2590000 68.3006 -110.375 21.3167 -110.376 -211.917 -69.9556 21.3163 -69.9534 -90.8223 GPRESSURE: 2590000 104.541 -71.9583 10.1802 -147.014 -161.438 -75.6901 -14.5389 10.8928 -74.015 PRESSAVG: 2590000 22.9076 1.12817 -11.6905 1.12817 -17.5665 20.118 -11.6905 20.118 17.0968 GPRESSAVG: 2590000 22.1002 1.01566 -10.3955 3.59498 -15.7059 21.1677 -14.3046 20.4489 15.3994 TIMING: 2590000 CPU: 7718.86, 0.00296837/step Wall: 7718.86, 0.00296837/step, 1.98716 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: 2590000 737.8060 2105.5547 1945.1702 104.8829 -206200.5876 17795.4424 0.0000 0.0000 34350.1786 -149161.5527 299.9887 -183511.7313 -149066.2239 299.0589 -78.1461 -43.6373 558218.6671 7.4793 7.2646 PRESSURE: 2590200 172.48 -92.5242 -99.5465 -92.5249 258.166 181.787 -99.5476 181.787 -81.1945 GPRESSURE: 2590200 117.198 -47.2489 -77.7755 -100.106 321.564 87.8739 -149.678 157.94 2.5092 PRESSAVG: 2590200 -55.7669 -2.04944 3.95089 -2.04947 68.5027 27.9669 3.95094 27.967 -18.6153 GPRESSAVG: 2590200 -55.7808 -1.14182 1.45351 -4.92459 67.9478 27.8769 6.0702 26.0393 -18.0171 TIMING: 2590200 CPU: 7719.46, 0.00297767/step Wall: 7719.46, 0.00297767/step, 1.99322 hours remaining, 205.226562 MB of memory in use. ENERGY: 2590200 720.8688 2052.8072 1959.1173 115.3905 -206344.5257 17982.1563 0.0000 0.0000 34329.7776 -149184.4079 299.8105 -183514.1855 -149091.3508 299.8128 116.4840 147.0905 557882.9828 -1.9599 -1.9500 PRESSURE: 2590400 210.677 -99.0901 -40.4319 -99.0908 123.514 7.23206 -40.4336 7.23276 -116.675 GPRESSURE: 2590400 243.68 -147.931 2.11147 -18.0449 145.256 -7.97297 -24.1694 9.9194 -92.7199 PRESSAVG: 2590400 -18.8908 -19.7945 46.6912 -19.7946 72.0718 42.8246 46.6912 42.8247 -24.5121 GPRESSAVG: 2590400 -19.1015 -18.7696 47.7306 -21.6367 71.4858 40.7428 47.0568 44.5374 -23.4452 TIMING: 2590400 CPU: 7720.05, 0.00298152/step Wall: 7720.05, 0.00298152/step, 1.99563 hours remaining, 205.226562 MB of memory in use. ENERGY: 2590400 770.1636 2061.3119 1968.4015 113.5529 -206430.6271 18107.4294 0.0000 0.0000 34268.9125 -149140.8554 299.2789 -183409.7679 -149044.9017 299.8686 72.5057 98.7385 558001.6183 9.5563 9.6464 PRESSURE: 2590600 204.355 -19.5143 0.856438 -19.5146 8.24509 -3.15474 0.856483 -3.15553 178.44 GPRESSURE: 2590600 207.678 -11.1515 -1.45711 23.7423 50.5525 -12.0396 -89.0028 17.8924 225.876 PRESSAVG: 2590600 30.8658 -94.4718 38.9417 -94.4717 -49.8423 -3.25087 38.9418 -3.25077 -34.3469 GPRESSAVG: 2590600 30.8213 -95.3774 39.9049 -93.299 -49.9391 -1.49434 36.1569 -3.49361 -34.5523 TIMING: 2590600 CPU: 7720.65, 0.00298972/step Wall: 7720.65, 0.00298972/step, 2.00096 hours remaining, 205.226562 MB of memory in use. ENERGY: 2590600 718.6327 2124.1271 1935.5125 111.4829 -206091.2668 17956.3549 0.0000 0.0000 34060.7228 -149184.4339 297.4608 -183245.1567 -149094.3337 299.5350 130.3466 161.3689 558482.3859 -17.7745 -17.8900 PRESSURE: 2590800 49.6996 -21.6157 -30.9798 -21.6163 20.3262 -25.4176 -30.9799 -25.4179 -185.692 GPRESSURE: 2590800 64.8785 11.6878 2.65233 1.56933 43.3601 -84.1797 -61.6748 -37.1493 -127.368 PRESSAVG: 2590800 48.4577 -25.7898 -64.148 -25.7898 -32.1704 28.3444 -64.148 28.3443 -12.3378 GPRESSAVG: 2590800 48.08 -26.9501 -63.9113 -24.6026 -31.8105 27.8901 -60.6069 27.8886 -12.2019 TIMING: 2590800 CPU: 7721.25, 0.00298117/step Wall: 7721.25, 0.00298117/step, 1.99506 hours remaining, 205.226562 MB of memory in use. ENERGY: 2590800 790.9325 2159.6722 1928.1654 114.5391 -206261.2432 17775.4281 0.0000 0.0000 34434.4910 -149058.0149 300.7250 -183492.5059 -148968.4677 300.0166 -38.5555 -6.3766 558056.0958 1.3165 1.3559 PRESSURE: 2591000 -164.86 -144.424 137.198 -144.424 25.6159 120.549 137.198 120.55 128.581 GPRESSURE: 2591000 -54.5165 -151.816 107.902 -30.655 32.822 150.312 164.998 114.007 104.04 PRESSAVG: 2591000 16.6707 -16.0898 0.564937 -16.0897 14.3481 39.2939 0.564905 39.2941 -11.5786 GPRESSAVG: 2591000 17.1349 -14.564 0.25823 -16.5316 14.6555 39.802 -2.0287 39.6336 -12.4706 TIMING: 2591000 CPU: 7721.85, 0.00301522/step Wall: 7721.85, 0.00301522/step, 2.01768 hours remaining, 205.226562 MB of memory in use. ENERGY: 2591000 746.5550 2110.1810 1968.1788 124.6012 -205649.1213 17511.9809 0.0000 0.0000 34163.9036 -149023.7208 298.3619 -183187.6244 -148926.4602 299.7861 -3.5546 27.4487 556893.1279 6.4801 6.4400 PRESSURE: 2591200 -252.079 -77.9652 -71.4535 -77.9659 -56.9444 155.387 -71.4536 155.386 -171.278 GPRESSURE: 2591200 -221.254 -99.4601 -38.6503 -90.2791 -88.3045 150.18 -115.499 90.1999 -85.9755 PRESSAVG: 2591200 10.3529 -47.9084 -10.0641 -47.9084 12.6418 -23.8152 -10.0641 -23.8152 -18.9502 GPRESSAVG: 2591200 10.6943 -48.0818 -10.9508 -47.7099 12.0913 -25.5524 -7.55372 -22.5511 -18.7469 TIMING: 2591200 CPU: 7722.45, 0.00298813/step Wall: 7722.45, 0.00298813/step, 1.99939 hours remaining, 205.226562 MB of memory in use. ENERGY: 2591200 774.0717 2072.1859 1976.1358 127.4921 -206045.2117 17786.0098 0.0000 0.0000 34196.2082 -149113.1083 298.6440 -183309.3164 -149011.8434 299.4371 -160.1006 -131.8447 558093.3680 1.3482 1.3462 PRESSURE: 2591400 -191.046 46.5426 13.6885 46.542 -111.321 -34.5857 13.6889 -34.5846 -65.2651 GPRESSURE: 2591400 -128.094 26.3262 12.5098 2.33179 -83.59 -36.4794 -20.798 -105.506 -79.243 PRESSAVG: 2591400 18.757 -21.4239 -53.0336 -21.4239 -21.096 -57.9982 -53.0337 -57.9982 -0.881955 GPRESSAVG: 2591400 19.1833 -20.3239 -51.2341 -20.7732 -21.761 -58.2052 -55.5706 -59.8365 -0.962832 TIMING: 2591400 CPU: 7723.04, 0.00297026/step Wall: 7723.04, 0.00297026/step, 1.98727 hours remaining, 205.226562 MB of memory in use. ENERGY: 2591400 768.3141 2165.1697 1965.6023 126.3156 -205916.7759 17593.6318 0.0000 0.0000 34315.0475 -148982.6950 299.6818 -183297.7425 -148882.2419 300.2630 -122.5441 -96.9758 558564.9078 -1.0737 -1.1802 PRESSURE: 2591600 185.548 -169.349 58.4712 -169.35 5.84688 -43.9142 58.4713 -43.9139 -93.8078 GPRESSURE: 2591600 222.869 -180.655 -6.60751 -109.466 -17.3795 -58.3595 79.616 -22.2028 -3.12624 PRESSAVG: 2591600 -0.281056 -56.8212 -10.401 -56.8213 -26.0607 -45.5787 -10.4011 -45.5787 -6.14197 GPRESSAVG: 2591600 -1.04342 -55.2592 -12.6588 -58.2774 -25.5552 -46.5447 -7.58003 -44.5763 -5.32408 TIMING: 2591600 CPU: 7723.64, 0.00298753/step Wall: 7723.64, 0.00298753/step, 1.99866 hours remaining, 205.226562 MB of memory in use. ENERGY: 2591600 763.1689 2091.4484 1945.3286 110.5913 -206188.3179 17924.1484 0.0000 0.0000 34183.7868 -149169.8456 298.5355 -183353.6323 -149076.4989 299.5458 32.5290 67.4544 557915.5008 -10.8279 -10.6409 PRESSURE: 2591800 -20.1737 33.7592 103.851 33.7565 94.8805 -90.7572 103.85 -90.7562 -146.773 GPRESSURE: 2591800 -18.798 -44.3213 52.9721 85.1397 128.235 -128.212 37.909 -108.349 -73.3698 PRESSAVG: 2591800 8.98066 1.40372 7.06138 1.40371 -21.4369 20.6838 7.06138 20.6839 4.92228 GPRESSAVG: 2591800 10.118 -1.153 7.44383 3.31663 -21.1228 24.0955 5.35216 17.2077 3.53521 TIMING: 2591800 CPU: 7724.24, 0.00297926/step Wall: 7724.24, 0.00297926/step, 1.99296 hours remaining, 205.226562 MB of memory in use. ENERGY: 2591800 731.2597 2136.6210 1951.7406 121.6638 -206082.7555 17732.5943 0.0000 0.0000 34064.7299 -149344.1463 297.4958 -183408.8763 -149251.6167 298.8996 -24.0222 12.0224 557306.7260 -2.5113 -2.4898 PRESSURE: 2592000 -162.269 113.367 44.3243 113.368 28.5997 -52.0553 44.3239 -52.0545 225.92 GPRESSURE: 2592000 -116.708 124.004 56.0071 136.832 98.031 -72.0905 -7.69799 -8.79966 199.635 PRESSAVG: 2592000 25.6398 26.7722 62.8769 26.7721 20.9909 -55.1861 62.8769 -55.186 -34.5097 GPRESSAVG: 2592000 25.7702 25.6626 63.6839 27.4249 19.7837 -54.4909 62.3009 -53.996 -33.8227 TIMING: 2592000 CPU: 7724.84, 0.00300735/step Wall: 7724.84, 0.00300735/step, 2.01158 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: 2592000 768.6969 2082.1083 1962.8489 107.9991 -206611.8437 18036.7734 0.0000 0.0000 34234.9520 -149418.4651 298.9824 -183653.4171 -149320.7721 298.5981 30.7502 60.3192 558000.3636 4.0403 3.9104 PRESSURE: 2592200 -2.72949 -16.0611 -65.0881 -16.0608 -26.3097 -5.71294 -65.0882 -5.71103 92.3277 GPRESSURE: 2592200 74.219 9.91224 -24.7432 -96.6664 3.06791 42.2697 -61.8714 -75.9286 83.9035 PRESSAVG: 2592200 12.6963 -19.1848 72.3017 -19.1848 -5.89159 -28.0378 72.3017 -28.0377 24.1877 GPRESSAVG: 2592200 11.1101 -18.1358 72.3856 -19.9635 -4.2094 -31.5029 70.8903 -27.6055 23.9934 TIMING: 2592200 CPU: 7725.43, 0.00297564/step Wall: 7725.43, 0.00297564/step, 1.99021 hours remaining, 205.226562 MB of memory in use. ENERGY: 2592200 757.1407 2070.6655 1957.5741 102.3521 -206635.0013 17993.7944 0.0000 0.0000 34347.8287 -149405.6458 299.9681 -183753.4745 -149315.6916 298.6153 21.0962 53.7301 557396.7456 10.3308 10.2980 LDB: ============= START OF LOAD BALANCING ============== 7728.86 LDB: ============== END OF LOAD BALANCING =============== 7728.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7728.86 LDB: ============= START OF LOAD BALANCING ============== 7729.16 LDB: Largest compute 4821 load 0.029111 is 24.7% of average load 0.117998 LDB: Average compute 0.001735 is 1.5% of average load 0.117998 LDB: TIME 7729.16 LOAD: AVG 0.117998 MAX 0.202794 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 7729.16 LOAD: AVG 0.117998 MAX 0.202794 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: TIME 7729.16 LOAD: AVG 0.117998 MAX 0.202794 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7729.17 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7729.17 PRESSURE: 2592400 -27.2843 18.9928 -97.7912 18.9932 -90.0761 270.823 -97.7907 270.823 -284.7 GPRESSURE: 2592400 -30.3239 -5.0892 -84.822 61.8357 -24.6532 201.048 -138.772 293.89 -256.829 PRESSAVG: 2592400 -47.5421 -3.056 14.0207 -3.05603 68.4797 -2.59277 14.0207 -2.59265 9.23476 GPRESSAVG: 2592400 -47.0089 -1.06472 13.1256 -4.48073 67.7188 -1.08458 15.5659 -1.25343 9.68596 TIMING: 2592400 CPU: 7726.04, 0.00303825/step Wall: 7726.04, 0.00303825/step, 2.03191 hours remaining, 205.429688 MB of memory in use. ENERGY: 2592400 752.5293 2102.6104 1922.0187 116.9690 -206252.8095 17742.5995 0.0000 0.0000 34211.7268 -149404.3559 298.7795 -183616.0826 -149311.1172 299.3128 -134.0201 -103.9353 559073.7262 10.0575 10.1320 PRESSURE: 2592600 400.817 105.634 175.245 105.634 232.357 37.0408 175.245 37.041 190.419 GPRESSURE: 2592600 393.906 169.282 116.418 93.9672 299.018 107.921 165.372 -8.24156 240.282 PRESSAVG: 2592600 -19.0465 11.5116 -40.3273 11.5115 16.4026 46.0877 -40.3273 46.0877 -54.0362 GPRESSAVG: 2592600 -18.7234 9.05507 -38.7459 12.7296 17.2601 46.454 -40.9393 45.5001 -54.9604 TIMING: 2592600 CPU: 7726.64, 0.00299917/step Wall: 7726.64, 0.00299918/step, 2.00562 hours remaining, 205.429688 MB of memory in use. ENERGY: 2592600 724.9259 2068.7453 1946.1822 99.5908 -206429.8178 18091.6615 0.0000 0.0000 33962.9241 -149535.7881 296.6067 -183498.7122 -149444.6978 298.9366 274.5311 311.0685 558383.0725 -18.8934 -18.8079 PRESSURE: 2592800 -41.0483 63.7226 -127.452 63.7237 103.899 36.3625 -127.451 36.3624 -144.035 GPRESSURE: 2592800 28.5781 24.8081 -69.6979 131.623 120.159 5.5865 -194.943 40.4754 -128.87 PRESSAVG: 2592800 -43.7221 9.71616 24.9701 9.71604 25.0214 -1.6082 24.9701 -1.60818 17.6739 GPRESSAVG: 2592800 -43.3618 11.6546 24.821 9.04623 24.5945 -0.153801 26.7045 -0.608257 17.6687 TIMING: 2592800 CPU: 7727.24, 0.00300206/step Wall: 7727.24, 0.00300206/step, 2.00738 hours remaining, 205.429688 MB of memory in use. ENERGY: 2592800 784.0625 2070.6149 1942.4833 105.5027 -206508.1451 17834.3979 0.0000 0.0000 34138.7626 -149632.3213 298.1423 -183771.0838 -149543.1210 298.0406 -27.0615 6.6225 557366.4666 -0.3423 -0.3662 PRESSURE: 2593000 178.841 82.3222 -110.728 82.3215 -27.5891 -38.8035 -110.729 -38.8021 54.5801 GPRESSURE: 2593000 232.831 64.2993 -76.3301 99.2247 26.8682 -6.61544 -145.727 -59.1614 48.4771 PRESSAVG: 2593000 -14.0651 33.7991 -6.72547 33.7992 -19.6877 -19.0788 -6.7255 -19.0787 64.6824 GPRESSAVG: 2593000 -13.8986 32.7506 -4.68466 34.1245 -19.0673 -18.8959 -7.61668 -20.9408 64.0945 TIMING: 2593000 CPU: 7727.84, 0.00300014/step Wall: 7727.84, 0.00300014/step, 2.00593 hours remaining, 205.429688 MB of memory in use. ENERGY: 2593000 748.7034 2073.5695 1939.1573 111.4189 -206399.4559 17948.8493 0.0000 0.0000 34029.7036 -149548.0539 297.1899 -183577.7575 -149449.9705 298.7524 68.6106 102.7256 557058.3466 10.3099 10.3762 PRESSURE: 2593200 147.908 -35.5855 63.5369 -35.5871 58.996 -41.512 63.537 -41.5124 322.219 GPRESSURE: 2593200 215.02 -5.88959 87.2472 -77.9648 153.896 -25.7914 72.609 -105.336 262.163 PRESSAVG: 2593200 33.69 -4.57267 2.50713 -4.57265 11.7996 -30.2423 2.50715 -30.2423 -42.9479 GPRESSAVG: 2593200 34.0726 -6.46071 -0.681416 -2.04767 11.1845 -31.4671 3.15884 -28.038 -42.2222 TIMING: 2593200 CPU: 7728.45, 0.00303687/step Wall: 7728.45, 0.00303687/step, 2.03032 hours remaining, 205.429688 MB of memory in use. ENERGY: 2593200 726.6519 2124.4455 1944.7189 115.1002 -206629.3772 18247.4919 0.0000 0.0000 34130.8050 -149340.1638 298.0728 -183470.9688 -149246.7943 298.0659 176.3745 210.3598 557507.3329 0.8472 1.0116 PRESSURE: 2593400 125.409 -69.0388 29.5597 -69.0384 34.4074 -21.0771 29.5592 -21.0757 71.6149 GPRESSURE: 2593400 139.747 -113.401 46.9564 -27.7575 118.579 -25.1809 -44.0327 94.103 76.832 PRESSAVG: 2593400 15.7155 -0.18961 46.6616 -0.189559 -77.2817 64.856 46.6616 64.856 53.5725 GPRESSAVG: 2593400 15.4556 0.703979 49.6118 -2.83122 -76.0179 64.5768 45.9675 62.9323 52.0989 TIMING: 2593400 CPU: 7729.05, 0.00300682/step Wall: 7729.05, 0.00300682/step, 2.01006 hours remaining, 205.429688 MB of memory in use. ENERGY: 2593400 725.8512 2088.8175 1952.7187 123.7310 -206445.0673 18016.9500 0.0000 0.0000 34335.6569 -149201.3419 299.8618 -183536.9988 -149104.4911 299.5640 77.1439 111.7194 557132.8928 -2.6646 -2.8212 PRESSURE: 2593600 58.0491 159.753 -74.2256 159.753 -88.7187 53.8372 -74.2245 53.8373 -146.74 GPRESSURE: 2593600 74.6637 165.449 11.2887 17.695 -33.6816 18.6006 -98.0762 95.8212 -108.831 PRESSAVG: 2593600 -19.8678 -7.08637 -1.38048 -7.08626 30.7068 -21.1779 -1.38045 -21.1779 -7.90493 GPRESSAVG: 2593600 -18.902 -7.96598 -2.79798 -5.84935 28.9651 -20.4628 -3.34041 -21.5655 -6.87322 TIMING: 2593600 CPU: 7729.65, 0.00301579/step Wall: 7729.65, 0.00301579/step, 2.01589 hours remaining, 205.429688 MB of memory in use. ENERGY: 2593600 713.1697 2117.3237 1959.4696 120.1742 -206433.9672 17899.1587 0.0000 0.0000 34551.8307 -149072.8406 301.7497 -183624.6713 -148979.7327 298.7940 -59.1365 -22.6161 557401.0032 0.9780 1.0633 PRESSURE: 2593800 -137.574 -84.462 123.364 -84.4614 9.22853 51.3816 123.363 51.3815 -312.457 GPRESSURE: 2593800 -135.204 -155.876 119.948 42.2433 39.7296 24.308 1.73994 20.4529 -249.176 PRESSAVG: 2593800 24.6913 26.5655 -32.3866 26.5657 62.5597 79.2829 -32.3866 79.283 -115.225 GPRESSAVG: 2593800 22.9782 26.1096 -34.5982 26.9131 63.6065 77.1532 -30.8786 79.7836 -114.78 TIMING: 2593800 CPU: 7730.25, 0.00300445/step Wall: 7730.25, 0.00300445/step, 2.00814 hours remaining, 205.429688 MB of memory in use. ENERGY: 2593800 729.7731 2067.9513 1933.1588 116.8809 -205881.5618 17573.0138 0.0000 0.0000 34171.6916 -149289.0922 298.4299 -183460.7839 -149189.4169 299.6656 -146.9344 -114.8836 556971.3085 -9.3247 -9.3985 PRESSURE: 2594000 -105.716 21.5691 -27.1275 21.568 -93.8285 9.06325 -27.1265 9.06299 79.6113 GPRESSURE: 2594000 -20.6158 10.1348 -122.051 60.1509 -114.275 -1.69542 7.66492 31.1745 114.052 PRESSAVG: 2594000 37.0788 2.14657 -59.2783 2.14663 60.284 54.9029 -59.2783 54.9028 -72.6344 GPRESSAVG: 2594000 37.7676 5.01876 -59.7926 0.684568 60.392 54.4625 -58.7004 56.6279 -73.3908 TIMING: 2594000 CPU: 7730.85, 0.00299764/step Wall: 7730.85, 0.00299764/step, 2.00343 hours remaining, 205.429688 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: 2594000 760.0616 2060.0679 1932.2714 118.1123 -205833.9462 17526.3449 0.0000 0.0000 34074.4189 -149362.6691 297.5804 -183437.0881 -149265.5178 299.0528 -39.9777 -6.9463 556395.8462 8.2428 8.2563 PRESSURE: 2594200 -225.593 141.378 49.9265 141.38 -252.475 -113.467 49.9245 -113.467 -298.342 GPRESSURE: 2594200 -154.071 88.6998 -20.5891 145.628 -248.984 -103.196 63.9758 -111.756 -280.977 PRESSAVG: 2594200 -19.5682 28.9726 -35.5772 28.9725 79.1878 18.5323 -35.5772 18.5323 -63.7294 GPRESSAVG: 2594200 -20.1656 26.156 -34.0659 30.1754 78.8942 18.5965 -35.8112 19.1767 -62.8878 TIMING: 2594200 CPU: 7731.46, 0.00303054/step Wall: 7731.46, 0.00303054/step, 2.02524 hours remaining, 205.429688 MB of memory in use. ENERGY: 2594200 740.3803 2037.6231 1958.6995 111.4657 -206125.6763 17409.9191 0.0000 0.0000 34505.1815 -149362.4072 301.3423 -183867.5888 -149264.9563 298.8431 -258.8035 -228.0107 558429.0698 -1.3699 -1.3864 PRESSURE: 2594400 -145.137 -57.951 -41.0742 -57.9503 -45.1631 -48.3198 -41.0732 -48.3194 -89.5106 GPRESSURE: 2594400 -157.268 -102.111 -117.582 29.5642 37.1947 -142.198 -17.5339 -33.3391 -64.2398 PRESSAVG: 2594400 -32.9762 33.2568 58.8945 33.2568 32.1916 1.52792 58.8944 1.52791 -15.1798 GPRESSAVG: 2594400 -32.672 33.8261 60.4463 33.8181 32.5667 3.94131 56.7884 -1.85205 -15.87 TIMING: 2594400 CPU: 7732.06, 0.00302157/step Wall: 7732.06, 0.00302156/step, 2.01908 hours remaining, 205.429688 MB of memory in use. ENERGY: 2594400 760.0786 2076.0915 1929.0581 107.4007 -205893.8193 17504.0560 0.0000 0.0000 34125.0876 -149392.0468 298.0229 -183517.1344 -149303.6266 298.7990 -93.2703 -61.4376 556249.0131 -5.3215 -5.3251 PRESSURE: 2594600 -27.411 -74.1312 140.377 -74.1319 -12.1485 -47.0839 140.378 -47.0849 237.772 GPRESSURE: 2594600 -30.0766 -16.0783 160.081 -62.4742 23.5452 -5.94256 204.808 -31.2989 305.157 PRESSAVG: 2594600 -11.8795 30.156 3.20656 30.156 -15.6112 41.4072 3.20648 41.4072 15.9108 GPRESSAVG: 2594600 -12.067 30.7321 2.38361 29.3539 -14.6593 39.9095 4.50648 42.9857 15.5935 TIMING: 2594600 CPU: 7732.67, 0.00300612/step Wall: 7732.67, 0.00300612/step, 2.00859 hours remaining, 205.429688 MB of memory in use. ENERGY: 2594600 767.0468 2092.1340 1951.8441 118.6297 -206200.1596 17812.5485 0.0000 0.0000 34237.9125 -149220.0440 299.0082 -183457.9565 -149117.0077 298.9585 66.0708 99.5419 557079.9594 -3.8600 -3.7110 PRESSURE: 2594800 55.5861 14.855 -33.139 14.8557 62.8358 -14.6629 -33.1398 -14.6634 -192.455 GPRESSURE: 2594800 51.4034 -49.4711 -67.5683 29.5724 97.6465 -100.025 -27.915 15.6284 -122.866 PRESSAVG: 2594800 10.0085 -10.3439 -8.7336 -10.3439 32.9184 -20.1221 -8.73356 -20.1221 17.0818 GPRESSAVG: 2594800 9.47461 -10.8356 -9.58779 -7.79265 32.1352 -19.9944 -7.95949 -20.6242 17.9651 TIMING: 2594800 CPU: 7733.27, 0.00302735/step Wall: 7733.27, 0.00302735/step, 2.0226 hours remaining, 205.429688 MB of memory in use. ENERGY: 2594800 736.5121 2073.5525 1932.0168 118.8625 -205872.6033 17684.7837 0.0000 0.0000 34298.6835 -149028.1921 299.5389 -183326.8756 -148923.8109 299.2097 -24.6776 8.7278 557216.0227 20.0029 19.8583 PRESSURE: 2595000 143.609 -47.6424 60.5069 -47.6418 -42.762 22.1556 60.5081 22.1563 -57.2898 GPRESSURE: 2595000 186.607 -72.9121 162.394 -32.0458 -14.4798 29.489 5.19938 -6.60264 -23.5471 PRESSAVG: 2595000 -41.8041 -21.1316 -33.6508 -21.1315 2.6106 1.49662 -33.6508 1.49671 -0.0163572 GPRESSAVG: 2595000 -41.9636 -19.9816 -31.3133 -21.7177 2.93908 1.97171 -33.8619 1.62729 -0.254085 TIMING: 2595000 CPU: 7733.87, 0.0030073/step Wall: 7733.87, 0.0030073/step, 2.00904 hours remaining, 205.429688 MB of memory in use. ENERGY: 2595000 711.1873 2097.8760 1957.8971 108.7844 -205824.7203 17626.4817 0.0000 0.0000 34237.2018 -149085.2919 299.0020 -183322.4937 -148983.7070 299.7889 14.5191 49.5268 556983.8413 -13.0699 -13.0929 PRESSURE: 2595200 -51.0642 89.6555 -80.2813 89.6553 -3.81692 -167.15 -80.2803 -167.151 -169.476 GPRESSURE: 2595200 -56.9637 66.4639 -33.8739 113.842 -14.8464 -175.603 -89.1793 -185.519 -59.853 PRESSAVG: 2595200 19.7558 -14.6796 3.14542 -14.6796 41.4704 -30.4329 3.1453 -30.4329 -87.2261 GPRESSAVG: 2595200 19.7494 -17.9489 2.39545 -14.4104 40.6044 -30.8906 2.54644 -29.4913 -86.1903 TIMING: 2595200 CPU: 7734.47, 0.00300331/step Wall: 7734.47, 0.00300331/step, 2.00621 hours remaining, 205.429688 MB of memory in use. ENERGY: 2595200 716.6949 2136.3279 1933.9992 113.3347 -205948.9828 17550.9139 0.0000 0.0000 34323.7953 -149173.9168 299.7582 -183497.7122 -149079.6450 299.5601 -74.7859 -43.8877 557602.3963 -8.6666 -8.6122 PRESSURE: 2595400 -292.805 33.2577 -74.0349 33.2567 -186.36 -89.0423 -74.0347 -89.0418 13.3488 GPRESSURE: 2595400 -215.956 99.063 -30.5202 -5.83661 -130.083 -132.675 -91.1722 -181.139 -4.16605 PRESSAVG: 2595400 -10.1221 -18.1315 -18.0851 -18.1316 31.1448 16.012 -18.0852 16.0119 9.12768 GPRESSAVG: 2595400 -10.0308 -16.3171 -19.0953 -17.1369 31.5767 14.4927 -19.4014 15.7078 8.55614 TIMING: 2595400 CPU: 7735.07, 0.00297576/step Wall: 7735.07, 0.00297576/step, 1.98764 hours remaining, 205.429688 MB of memory in use. ENERGY: 2595400 746.0244 2100.3082 1983.3608 115.4221 -206060.4352 17631.7199 0.0000 0.0000 34108.2731 -149375.3267 297.8760 -183483.5998 -149273.1898 299.2112 -155.2721 -116.7349 557431.3840 10.0501 10.0340 PRESSURE: 2595600 -7.09211 78.1734 -221.227 78.1747 -155.409 12.6319 -221.227 12.63 5.29248 GPRESSURE: 2595600 39.0463 39.8984 -214.585 81.4912 -94.7728 -0.820278 -229.682 -64.1255 -5.14926 PRESSAVG: 2595600 3.60936 46.5711 -61.4943 46.5713 -11.9214 -8.58498 -61.4942 -8.58488 37.1263 GPRESSAVG: 2595600 3.56852 46.3697 -60.4354 46.5663 -11.9179 -8.94206 -59.8404 -7.70656 36.9348 TIMING: 2595600 CPU: 7735.67, 0.00298971/step Wall: 7735.67, 0.00298971/step, 1.99679 hours remaining, 205.429688 MB of memory in use. ENERGY: 2595600 747.9072 2132.0731 1932.8356 118.3256 -205996.3662 17641.2624 0.0000 0.0000 34312.3698 -149111.5926 299.6585 -183423.9624 -149011.5683 299.1471 -52.4027 -20.2919 558866.0093 9.6048 9.5285 PRESSURE: 2595800 -210.256 39.1798 9.7822 39.1808 -90.1697 42.5815 9.78113 42.5804 77.0812 GPRESSURE: 2595800 -148.162 14.024 -6.73359 145.768 -43.4521 -45.2243 22.4431 76.6677 79.3599 PRESSAVG: 2595800 -23.2246 -44.4309 -47.7434 -44.4309 -33.7521 80.7684 -47.7433 80.7683 10.8604 GPRESSAVG: 2595800 -22.8706 -43.0055 -48.5145 -46.0147 -33.5808 82.2012 -46.9904 79.5195 10.5089 TIMING: 2595800 CPU: 7736.26, 0.00298087/step Wall: 7736.26, 0.00298087/step, 1.99073 hours remaining, 205.429688 MB of memory in use. ENERGY: 2595800 746.0061 2079.9695 1946.0646 120.2889 -205711.9614 17432.3621 0.0000 0.0000 34441.4438 -148945.8264 300.7857 -183387.2702 -148843.6899 300.0981 -74.4482 -37.4180 559070.9735 -15.3721 -15.3142 PRESSURE: 2596000 -291.267 -67.1315 88.2007 -67.1327 206.752 -57.7623 88.1981 -57.7628 109.877 GPRESSURE: 2596000 -163.824 -48.9679 58.2157 -118.443 195.4 -20.2497 -8.90656 -15.2452 89.7039 PRESSAVG: 2596000 -113.27 19.3911 -5.43848 19.3911 -34.2554 23.3155 -5.43853 23.3155 62.9928 GPRESSAVG: 2596000 -113.572 19.7646 -7.30452 19.2374 -35.1825 25.5282 -5.9405 21.5241 63.8053 TIMING: 2596000 CPU: 7736.86, 0.00296602/step Wall: 7736.86, 0.00296602/step, 1.98064 hours remaining, 205.429688 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: 2596000 750.9788 2127.1472 1940.5312 116.3641 -206062.1242 17784.4074 0.0000 0.0000 34306.7727 -149035.9228 299.6096 -183342.6956 -148948.4625 299.8081 8.4540 40.4264 557868.4350 -28.1776 -28.3164 PRESSURE: 2596200 11.9253 -42.3717 39.834 -42.3709 24.575 228.098 39.8336 228.098 -140.366 GPRESSURE: 2596200 29.9358 -36.2162 -18.1612 -26.2963 60.8888 203.478 69.8499 199.548 -94.2329 PRESSAVG: 2596200 -42.5783 29.7582 40.8121 29.7583 -5.95891 44.3955 40.8121 44.3956 28.7572 GPRESSAVG: 2596200 -41.5987 27.9744 42.7003 31.2248 -5.49702 42.5157 39.1584 46.7195 27.674 TIMING: 2596200 CPU: 7737.45, 0.00297742/step Wall: 7737.45, 0.00297742/step, 1.98809 hours remaining, 205.429688 MB of memory in use. ENERGY: 2596200 763.9247 2059.8443 1945.2086 101.0852 -205820.1001 17641.5910 0.0000 0.0000 34259.3961 -149049.0502 299.1958 -183308.4463 -148954.2362 299.6272 -34.6218 -1.1361 558243.2676 -6.5933 -6.4739 LDB: ============= START OF LOAD BALANCING ============== 7740.88 LDB: ============== END OF LOAD BALANCING =============== 7740.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7740.88 LDB: ============= START OF LOAD BALANCING ============== 7741.18 LDB: Largest compute 4821 load 0.026492 is 22.5% of average load 0.117951 LDB: Average compute 0.001728 is 1.5% of average load 0.117951 LDB: TIME 7741.18 LOAD: AVG 0.117951 MAX 0.201861 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 7741.19 LOAD: AVG 0.117951 MAX 0.201861 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.262 MB LDB: TIME 7741.19 LOAD: AVG 0.117951 MAX 0.201861 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.262 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7741.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7741.19 PRESSURE: 2596400 -36.3011 45.6769 -87.028 45.677 -61.0317 -125.237 -87.0291 -125.237 65.0088 GPRESSURE: 2596400 -13.0569 60.6483 -162.916 -37.9626 -5.66114 -194.566 -45.0019 -81.9056 90.0531 PRESSAVG: 2596400 12.6768 -22.9267 -4.86863 -22.9267 4.65464 -8.7993 -4.86862 -8.79926 -15.7677 GPRESSAVG: 2596400 11.9611 -20.5907 -7.14005 -23.2726 4.05318 -8.68518 -4.25464 -10.7296 -15.1478 TIMING: 2596400 CPU: 7738.06, 0.00305541/step Wall: 7738.06, 0.00305541/step, 2.03999 hours remaining, 206.515625 MB of memory in use. ENERGY: 2596400 726.1198 2156.1529 1964.4769 119.9569 -206353.5310 17849.6227 0.0000 0.0000 34405.1197 -149132.0822 300.4685 -183537.2019 -149026.1103 299.7356 -10.7747 23.7784 557308.4832 0.5212 0.2888 PRESSURE: 2596600 63.5282 64.225 -62.1734 64.2279 43.5745 29.3433 -62.1733 29.3433 351.794 GPRESSURE: 2596600 111.964 50.6671 -22.5456 94.8007 36.3301 101.352 -104.423 -4.15644 396.631 PRESSAVG: 2596600 74.8557 -38.2074 4.39002 -38.2074 -21.2392 -15.5483 4.39001 -15.5484 -17.9944 GPRESSAVG: 2596600 74.4309 -36.6719 4.78663 -37.3699 -19.6374 -15.4165 6.748 -14.4189 -19.1101 TIMING: 2596600 CPU: 7738.66, 0.00299544/step Wall: 7738.66, 0.00299544/step, 1.99979 hours remaining, 206.515625 MB of memory in use. ENERGY: 2596600 726.9421 2139.5247 1954.2388 104.7030 -206468.1355 18039.0164 0.0000 0.0000 34271.0808 -149232.6296 299.2979 -183503.7104 -149134.8877 299.5548 152.9656 181.6418 556624.5988 11.8740 11.8945 PRESSURE: 2596800 39.999 -205.23 193.722 -205.231 72.4858 -92.8024 193.722 -92.8035 576.431 GPRESSURE: 2596800 74.529 -248.921 185.062 -192.933 121.136 -33.2874 173.75 -53.9965 599.008 PRESSAVG: 2596800 -24.5315 0.965442 46.08 0.965405 34.3006 -57.0509 46.0799 -57.0511 -6.73034 GPRESSAVG: 2596800 -24.4482 -2.8889 47.6505 2.97929 33.5143 -56.5352 43.54 -56.1045 -6.07738 TIMING: 2596800 CPU: 7739.25, 0.00296774/step Wall: 7739.25, 0.00296774/step, 1.98113 hours remaining, 206.515625 MB of memory in use. ENERGY: 2596800 737.2513 2139.4230 1953.2218 105.2599 -206465.1421 17922.0477 0.0000 0.0000 34353.9464 -149253.9920 300.0216 -183607.9383 -149156.7945 298.7846 229.6385 264.8912 555266.8119 1.0129 0.9963 PRESSURE: 2597000 35.7404 155.694 95.8562 155.694 35.6433 -53.7467 95.856 -53.7461 12.4717 GPRESSURE: 2597000 20.7391 145.381 113.429 224.762 65.8251 -124.885 97.837 -9.55472 94.781 PRESSAVG: 2597000 18.2271 -13.2464 53.395 -13.2464 -43.0257 17.416 53.395 17.4161 48.8311 GPRESSAVG: 2597000 18.5659 -10.947 53.3682 -15.2759 -43.1321 17.8631 54.5285 14.9524 49.1052 TIMING: 2597000 CPU: 7739.85, 0.00297495/step Wall: 7739.85, 0.00297495/step, 1.98578 hours remaining, 206.515625 MB of memory in use. ENERGY: 2597000 770.1707 2140.7765 1941.0412 128.3900 -206399.8617 17921.0940 0.0000 0.0000 34205.3437 -149293.0457 298.7238 -183498.3894 -149202.1915 299.2543 27.9518 60.4484 557322.0667 8.0109 8.1797 PRESSURE: 2597200 233.552 12.8646 85.0938 12.8638 42.0529 40.1707 85.0945 40.1692 33.838 GPRESSURE: 2597200 219.211 64.3003 108.688 -56.5546 86.867 60.0054 50.6068 33.3272 110.35 PRESSAVG: 2597200 -4.90326 -8.09884 -2.23761 -8.09878 4.5895 25.0269 -2.23761 25.027 18.478 GPRESSAVG: 2597200 -5.09657 -8.33927 -0.586345 -8.65884 4.65676 23.4302 -1.51801 26.3184 18.4195 TIMING: 2597200 CPU: 7740.45, 0.00299156/step Wall: 7740.45, 0.00299156/step, 1.9967 hours remaining, 206.515625 MB of memory in use. ENERGY: 2597200 715.3654 2165.8082 1945.1529 100.3145 -206535.8948 17967.3731 0.0000 0.0000 34357.1031 -149284.7777 300.0491 -183641.8808 -149191.7454 298.3622 103.1475 138.8095 556799.5343 6.0547 5.9932 PRESSURE: 2597400 -55.6891 1.17156 -30.8887 1.17215 -81.296 63.433 -30.8887 63.433 -73.6657 GPRESSURE: 2597400 44.8652 -62.714 -18.2765 28.4053 -85.1586 99.9329 -59.063 74.8113 -70.9572 PRESSAVG: 2597400 -21.2414 3.94455 -8.75071 3.94463 -44.2637 36.7669 -8.75068 36.7668 19.4106 GPRESSAVG: 2597400 -21.5493 2.65781 -11.3648 5.00623 -45.6549 40.0746 -8.57834 35.4262 20.778 TIMING: 2597400 CPU: 7741.05, 0.00299901/step Wall: 7741.05, 0.00299901/step, 2.00151 hours remaining, 206.515625 MB of memory in use. ENERGY: 2597400 720.8603 2120.1846 1976.1542 110.0872 -206080.9268 17617.7045 0.0000 0.0000 34157.7048 -149378.2312 298.3077 -183535.9360 -149289.5153 298.9635 -70.2169 -37.0835 556864.4744 -15.3648 -15.4754 PRESSURE: 2597600 -97.6474 -17.081 2.28598 -17.0811 -88.3425 -143.381 2.28427 -143.38 53.7484 GPRESSURE: 2597600 -94.9728 -21.111 -50.2528 29.431 -60.7125 -159.774 81.4646 -147.148 118.092 PRESSAVG: 2597600 -12.6023 -20.3297 7.91483 -20.3298 63.9411 9.30767 7.91476 9.30778 -14.0662 GPRESSAVG: 2597600 -13.5226 -19.4088 10.2714 -22.0183 65.8536 5.75711 6.61907 11.8151 -14.9732 TIMING: 2597600 CPU: 7741.65, 0.00300467/step Wall: 7741.65, 0.00300467/step, 2.00512 hours remaining, 206.515625 MB of memory in use. ENERGY: 2597600 806.4457 2046.8292 1955.5677 104.2242 -206444.6503 17952.1067 0.0000 0.0000 34186.4600 -149393.0169 298.5589 -183579.4768 -149285.8664 298.5346 -44.0805 -12.5310 558001.5856 12.4242 12.4526 PRESSURE: 2597800 -101.346 0.951498 115.502 0.95069 -178.43 64.3285 115.502 64.3293 -348.036 GPRESSURE: 2597800 -37.9074 43.3984 152.024 -42.2349 -151.356 -1.33739 45.1081 125.431 -349.34 PRESSAVG: 2597800 38.1913 13.8459 -18.1706 13.846 -18.8257 7.37619 -18.1707 7.37626 -32.6609 GPRESSAVG: 2597800 39.7145 13.5084 -20.1011 12.8094 -19.3062 6.23035 -17.1264 6.42654 -33.6985 TIMING: 2597800 CPU: 7742.24, 0.00298088/step Wall: 7742.24, 0.00298088/step, 1.98908 hours remaining, 206.515625 MB of memory in use. ENERGY: 2597800 752.8753 2055.5437 1936.7229 113.1574 -206010.1874 17628.7973 0.0000 0.0000 34254.9375 -149268.1533 299.1569 -183523.0908 -149176.9760 297.9186 -209.2706 -179.5346 558572.7673 -4.4318 -4.4301 PRESSURE: 2598000 -108.478 194.219 -124.557 194.219 -162.916 101.783 -124.558 101.785 44.8444 GPRESSURE: 2598000 4.49487 162.716 -169.668 167.824 -187.146 149.287 -104.244 102.502 67.4558 PRESSAVG: 2598000 15.2059 6.73614 17.9818 6.73622 46.0797 22.9284 17.9818 22.9284 -27.9627 GPRESSAVG: 2598000 15.8847 7.10173 18.979 6.5838 44.3272 23.9216 18.0601 22.8796 -27.0188 TIMING: 2598000 CPU: 7742.84, 0.00298892/step Wall: 7742.84, 0.00298892/step, 1.99427 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: 2598000 733.6035 2074.3590 1935.6970 106.2996 -206158.7117 17630.7983 0.0000 0.0000 34417.9021 -149260.0522 300.5801 -183677.9543 -149167.4816 299.1705 -75.5165 -38.3985 556330.8397 11.1076 11.0643 PRESSURE: 2598200 24.7114 -152.768 138.481 -152.769 -182.245 -109.028 138.482 -109.029 -191.847 GPRESSURE: 2598200 46.4455 -232.061 112.412 -167.107 -138.706 -79 107.77 -102.465 -164.355 PRESSAVG: 2598200 63.3493 -10.4503 -27.7868 -10.4503 9.16295 -11.3231 -27.7868 -11.3231 -67.9772 GPRESSAVG: 2598200 62.2097 -12.6458 -27.4133 -6.64102 10.4249 -9.77136 -28.4291 -10.2458 -68.13 TIMING: 2598200 CPU: 7743.43, 0.00294928/step Wall: 7743.43, 0.00294928/step, 1.96766 hours remaining, 206.515625 MB of memory in use. ENERGY: 2598200 700.0860 2149.5501 1945.9271 112.5941 -205819.6077 17448.9482 0.0000 0.0000 34057.7662 -149404.7361 297.4349 -183462.5023 -149300.9375 299.5476 -116.4601 -85.5385 556196.5856 1.5117 1.5016 PRESSURE: 2598400 26.9089 58.3607 -95.9801 58.3596 -95.9481 -1.8442 -95.9793 -1.84276 33.2628 GPRESSURE: 2598400 -3.5413 58.9335 -125.991 75.797 -73.6642 45.3506 -90.0087 86.1872 135.377 PRESSAVG: 2598400 -10.1881 -52.0834 8.72476 -52.0834 32.2255 -30.5857 8.72482 -30.5857 14.4235 GPRESSAVG: 2598400 -11.2736 -49.2442 8.60605 -54.8921 31.9591 -30.6681 10.01 -31.5348 15.7548 TIMING: 2598400 CPU: 7744.02, 0.00293289/step Wall: 7744.02, 0.00293289/step, 1.95657 hours remaining, 206.515625 MB of memory in use. ENERGY: 2598400 730.5653 2115.7329 1941.9313 114.7350 -206075.9214 17672.5200 0.0000 0.0000 34202.6570 -149297.7799 298.7003 -183500.4369 -149199.7588 298.8130 -11.9254 19.3904 556283.2607 12.1536 12.1467 PRESSURE: 2598600 -258.181 248.436 -2.76347 248.436 -9.63402 35.9331 -2.76494 35.9352 -256.172 GPRESSURE: 2598600 -243.134 154.587 15.5232 151.283 56.435 12.3394 -5.91582 79.722 -235.716 PRESSAVG: 2598600 40.8225 53.1056 13.2287 53.1055 39.0376 42.231 13.2287 42.231 -30.9013 GPRESSAVG: 2598600 41.1122 52.1131 12.2656 53.1829 38.4415 43.4653 12.982 40.0163 -30.6736 TIMING: 2598600 CPU: 7744.61, 0.00294761/step Wall: 7744.61, 0.00294761/step, 1.96622 hours remaining, 206.515625 MB of memory in use. ENERGY: 2598600 728.9617 2098.0840 1908.3441 109.3362 -206194.8060 17589.8272 0.0000 0.0000 34410.4455 -149349.8074 300.5150 -183760.2529 -149250.2575 298.7880 -174.6624 -140.8048 556759.0504 16.3196 16.2934 PRESSURE: 2598800 -55.392 -156.635 -85.0751 -156.635 -69.9203 -72.2629 -85.0743 -72.2625 -102.159 GPRESSURE: 2598800 8.63735 -65.9289 -112.901 -260.849 -70.2646 -118.02 -58.8477 -71.0927 -63.6006 PRESSAVG: 2598800 47.6119 26.1535 -1.78342 26.1534 -33.2664 14.0494 -1.78342 14.0495 4.94524 GPRESSAVG: 2598800 49.092 26.574 -1.35 26.3845 -32.1789 10.6891 -1.56501 15.6894 2.50139 TIMING: 2598800 CPU: 7745.21, 0.00298259/step Wall: 7745.21, 0.00298259/step, 1.98939 hours remaining, 206.515625 MB of memory in use. ENERGY: 2598800 730.7218 2053.5251 1958.7866 130.2968 -206099.0246 17551.0178 0.0000 0.0000 34351.6271 -149323.0495 300.0013 -183674.6766 -149227.1272 298.7797 -75.8239 -41.7426 555838.0652 6.4303 6.4715 PRESSURE: 2599000 -253.627 21.9387 46.1066 21.9379 -242.614 2.74657 46.1065 2.74546 9.37767 GPRESSURE: 2599000 -204.688 18.9434 94.8485 89.7497 -220.754 33.9519 47.5498 22.1324 28.9008 PRESSAVG: 2599000 -60.8972 27.1709 16.6207 27.1709 1.12492 -1.95485 16.6207 -1.95485 50.6814 GPRESSAVG: 2599000 -62.1765 27.3307 17.7315 25.8303 1.90395 0.907553 15.317 -2.11168 51.7821 TIMING: 2599000 CPU: 7745.8, 0.00298544/step Wall: 7745.8, 0.00298544/step, 1.99113 hours remaining, 206.515625 MB of memory in use. ENERGY: 2599000 765.8771 2068.2975 1955.7785 103.9232 -205943.2063 17623.5852 0.0000 0.0000 34311.9214 -149113.8236 299.6545 -183425.7450 -149019.9349 299.4820 -162.2878 -132.1804 558454.8391 -3.0303 -2.8301 PRESSURE: 2599200 -68.2716 91.4168 -39.0362 91.4167 -102.618 -59.6831 -39.0359 -59.682 -124.723 GPRESSURE: 2599200 -79.2059 45.4416 -64.4377 166.543 -38.2905 -135.529 -36.8631 -11.232 -88.6375 PRESSAVG: 2599200 -10.125 20.4935 -8.48853 20.4936 -11.9208 26.2343 -8.48849 26.2342 43.0453 GPRESSAVG: 2599200 -10.539 19.3678 -9.52168 21.2998 -13.1608 21.8918 -7.20609 26.625 44.0561 TIMING: 2599200 CPU: 7746.4, 0.0029804/step Wall: 7746.4, 0.0029804/step, 1.98759 hours remaining, 206.515625 MB of memory in use. ENERGY: 2599200 742.8105 2097.8361 1951.8095 112.1568 -206291.8979 17815.5817 0.0000 0.0000 34404.6769 -149167.0265 300.4646 -183571.7034 -149065.3414 298.3267 -98.5376 -68.7113 559924.6155 6.9999 6.7854 PRESSURE: 2599400 179.723 46.122 114.213 46.1219 -34.6672 133.653 114.213 133.652 -154.314 GPRESSURE: 2599400 187.755 18.6747 153.532 81.5375 -0.0801836 125.927 96.1448 108.928 -101.46 PRESSAVG: 2599400 -48.2063 17.016 39.1938 17.016 14.6999 46.0483 39.1937 46.0482 35.6229 GPRESSAVG: 2599400 -47.6664 16.8693 40.5447 15.9472 14.3206 50.5026 39.2349 43.1807 35.1074 TIMING: 2599400 CPU: 7746.99, 0.00297887/step Wall: 7746.99, 0.00297887/step, 1.98641 hours remaining, 206.515625 MB of memory in use. ENERGY: 2599400 747.5420 2115.8882 1975.5121 106.1611 -206220.0436 17923.6770 0.0000 0.0000 34103.6491 -149247.6141 297.8356 -183351.2631 -149157.6174 299.5461 -3.0859 28.7384 558803.0819 0.7055 0.5872 PRESSURE: 2599600 -150.405 -117.702 -161.577 -117.703 154.94 -74.1918 -161.578 -74.1913 -180.021 GPRESSURE: 2599600 -70.191 -105.33 -147.982 -98.6088 165.469 1.00525 -104.464 -80.3206 -172.361 PRESSAVG: 2599600 -33.8406 -1.52946 21.0006 -1.52951 -24.681 38.3153 21.0006 38.3152 34.5172 GPRESSAVG: 2599600 -33.9324 -1.50606 22.339 0.213549 -24.6772 37.9498 20.103 40.7631 33.8787 TIMING: 2599600 CPU: 7747.59, 0.00297659/step Wall: 7747.59, 0.00297659/step, 1.98472 hours remaining, 206.515625 MB of memory in use. ENERGY: 2599600 720.3072 2087.8348 1929.0307 117.0251 -206025.4083 17714.5822 0.0000 0.0000 34181.4699 -149275.1584 298.5153 -183456.6283 -149171.9505 299.1449 -58.4953 -25.6941 560021.8873 -8.0014 -8.2436 PRESSURE: 2599800 -22.405 54.7238 -54.5938 54.7235 -15.3072 -87.0053 -54.5931 -87.0058 -212.411 GPRESSURE: 2599800 3.30695 96.2638 -20.4899 -6.7419 -19.2871 -61.2359 -102.635 -107.133 -131.562 PRESSAVG: 2599800 19.5667 -36.1752 10.6875 -36.1752 58.4753 -19.9596 10.6876 -19.9596 -46.1987 GPRESSAVG: 2599800 20.3356 -37.2135 9.31498 -35.4548 57.4601 -21.625 11.9431 -19.5701 -46.4603 TIMING: 2599800 CPU: 7748.19, 0.00298539/step Wall: 7748.19, 0.00298539/step, 1.99043 hours remaining, 206.515625 MB of memory in use. ENERGY: 2599800 720.8158 2034.7903 1947.9331 116.2278 -205976.8027 17733.8398 0.0000 0.0000 34244.3423 -149178.8536 299.0644 -183423.1959 -149080.7131 299.2129 -83.3743 -49.1808 559819.2405 10.6145 10.4451 PRESSURE: 2600000 180.533 61.0768 -67.9136 61.077 -68.3995 -0.795982 -67.9139 -0.796818 -42.1496 GPRESSURE: 2600000 234.621 101.067 -87.3064 115.942 -69.9074 -100.467 -1.37391 43.1181 -10.1028 PRESSAVG: 2600000 2.28311 -1.78196 10.7897 -1.78192 23.0581 29.9183 10.7896 29.9183 -32.3134 GPRESSAVG: 2600000 1.43011 0.905416 10.6818 -2.0118 24.6414 31.1204 10.4813 29.0181 -32.602 TIMING: 2600000 CPU: 7748.78, 0.00298337/step Wall: 7748.78, 0.00298337/step, 1.98892 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: 2600000 742.3135 2081.5048 1967.5987 108.5362 -205688.2519 17710.8133 0.0000 0.0000 34018.4840 -149059.0014 297.0919 -183077.4854 -148967.9611 298.5347 23.3280 51.5368 559939.3111 -2.3241 -2.1768 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2600000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2600000 WRITING COORDINATES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2600200 -74.006 -7.64113 -56.8998 -7.64157 -101.602 103.268 -56.9004 103.269 -36.9131 GPRESSURE: 2600200 -44.7082 -8.61378 68.2976 -57.848 -96.5043 92.5436 -67.9891 62.6988 19.1697 PRESSAVG: 2600200 -2.38981 14.8584 -12.1716 14.8584 -12.2242 55.0789 -12.1715 55.079 10.4726 GPRESSAVG: 2600200 -1.52933 13.8875 -12.5059 14.367 -12.238 54.3309 -12.0178 54.415 10.236 TIMING: 2600200 CPU: 7749.39, 0.00303342/step Wall: 7749.39, 0.00303342/step, 2.02211 hours remaining, 206.515625 MB of memory in use. ENERGY: 2600200 761.9606 1993.0415 1933.0164 118.8719 -205803.8917 17680.9346 0.0000 0.0000 34198.0719 -149117.9950 298.6603 -183316.0669 -149016.9517 298.9388 -70.8405 -40.6809 557551.5176 -1.3805 -1.1771 LDB: ============= START OF LOAD BALANCING ============== 7752.82 LDB: ============== END OF LOAD BALANCING =============== 7752.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7752.82 LDB: ============= START OF LOAD BALANCING ============== 7753.12 LDB: Largest compute 4821 load 0.025392 is 21.5% of average load 0.117991 LDB: Average compute 0.001728 is 1.5% of average load 0.117991 LDB: TIME 7753.12 LOAD: AVG 0.117991 MAX 0.202734 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 7753.12 LOAD: AVG 0.117991 MAX 0.202734 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: TIME 7753.12 LOAD: AVG 0.117991 MAX 0.202734 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7753.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7753.13 PRESSURE: 2600400 38.7709 -188.357 -19.7494 -188.357 71.318 127.554 -19.7479 127.552 -104.212 GPRESSURE: 2600400 57.5345 -222.537 -45.2633 -94.145 144.756 57.2205 -15.247 70.7679 -86.9454 PRESSAVG: 2600400 56.6439 -32.8066 -14.1486 -32.8065 57.6638 36.1585 -14.1486 36.1586 -25.7944 GPRESSAVG: 2600400 55.7095 -31.1306 -15.2432 -33.5012 58.9697 36.3426 -14.5529 36.7943 -26.2358 TIMING: 2600400 CPU: 7750, 0.00304746/step Wall: 7750, 0.00304746/step, 2.0313 hours remaining, 206.511719 MB of memory in use. ENERGY: 2600400 744.7700 2036.9543 1948.1511 109.7451 -205553.7601 17726.6624 0.0000 0.0000 33999.9333 -148987.5438 296.9299 -182987.4771 -148887.9491 299.5638 1.9589 38.4484 558755.9422 29.5045 29.4811 PRESSURE: 2600600 135.091 -0.734451 50.2248 -0.734961 -157.857 91.1395 50.2234 91.1409 -67.2076 GPRESSURE: 2600600 138.066 59.5472 97.9499 -79.5986 -126.115 70.732 85.8781 144.757 -3.10219 PRESSAVG: 2600600 -8.43415 -16.7865 -22.8165 -16.7865 10.3808 -16.2012 -22.8164 -16.2011 -31.1237 GPRESSAVG: 2600600 -8.89071 -17.6768 -21.4151 -15.0295 9.42717 -17.5533 -23.0748 -14.21 -29.8972 TIMING: 2600600 CPU: 7750.6, 0.00298459/step Wall: 7750.6, 0.00298459/step, 1.98923 hours remaining, 206.511719 MB of memory in use. ENERGY: 2600600 749.4017 2065.3860 1942.0706 110.4690 -205777.6680 17607.8969 0.0000 0.0000 34225.5366 -149076.9071 298.9001 -183302.4437 -148979.1056 298.9979 -29.9912 2.9496 558171.3059 -9.7257 -9.7869 PRESSURE: 2600800 -64.7983 -67.4358 63.1608 -67.4356 150.412 90.1734 63.1609 90.1752 189.718 GPRESSURE: 2600800 -23.4414 -76.4008 69.51 -56.2852 185.616 91.3418 76.8554 65.3985 201.038 PRESSAVG: 2600800 5.6128 29.0076 -16.8181 29.0076 24.6619 16.396 -16.8182 16.396 -29.1066 GPRESSAVG: 2600800 6.66342 28.13 -17.1853 29.1687 23.8789 16.7868 -18.2035 16.1755 -29.2617 TIMING: 2600800 CPU: 7751.2, 0.00299739/step Wall: 7751.2, 0.00299739/step, 1.99759 hours remaining, 206.511719 MB of memory in use. ENERGY: 2600800 719.4592 2124.0037 1929.2143 95.6465 -206352.1496 18102.8406 0.0000 0.0000 34266.7659 -149114.2194 299.2602 -183380.9853 -149020.1627 299.2967 91.7773 121.0710 557544.6497 0.3894 0.4269 PRESSURE: 2601000 182.82 62.5529 -38.687 62.5532 -58.6851 -123.106 -38.6875 -123.106 58.6152 GPRESSURE: 2601000 203.255 50.3621 -90.4988 34.2369 -27.3511 -144.548 5.83415 -163.399 109.71 PRESSAVG: 2601000 9.65548 8.39648 -51.8623 8.39643 12.3087 -11.5959 -51.8623 -11.5959 -37.6655 GPRESSAVG: 2601000 8.8198 9.13062 -52.6987 8.02012 13.4987 -9.70924 -51.3438 -13.34 -37.7875 TIMING: 2601000 CPU: 7751.8, 0.00301094/step Wall: 7751.8, 0.00301094/step, 2.00645 hours remaining, 206.511719 MB of memory in use. ENERGY: 2601000 738.5100 2084.6597 1936.5055 109.7124 -206148.6388 17930.3032 0.0000 0.0000 34134.3424 -149214.6056 298.1037 -183348.9480 -149123.5125 298.7833 60.9168 95.2045 558724.7266 -5.2338 -5.1563 PRESSURE: 2601200 -27.8449 50.6104 -15.7169 50.6104 29.5366 80.2966 -15.7152 80.295 192.884 GPRESSURE: 2601200 14.2351 36.4276 61.1014 69.9487 44.1423 55.0005 -62.7257 151.669 230.328 PRESSAVG: 2601200 3.92594 17.5168 -62.5905 17.5167 -25.9952 -22.428 -62.5904 -22.4279 73.1113 GPRESSAVG: 2601200 5.62424 16.8281 -62.1804 18.1316 -28.5145 -22.2494 -59.2846 -21.8727 73.8285 TIMING: 2601200 CPU: 7752.4, 0.00299522/step Wall: 7752.4, 0.00299522/step, 1.99581 hours remaining, 206.511719 MB of memory in use. ENERGY: 2601200 783.4519 2065.8286 1967.0082 115.0173 -205848.5700 17941.7593 0.0000 0.0000 34096.9724 -148878.5322 297.7773 -182975.5047 -148788.3679 298.4409 64.8586 96.2351 559250.0275 17.0140 16.9794 PRESSURE: 2601400 34.5548 26.0093 22.3358 26.0108 203.515 -68.7937 22.3366 -68.7941 302.885 GPRESSURE: 2601400 34.7756 20.6878 40.6324 22.4482 181.665 -111.216 -69.6487 -121.971 412.926 PRESSAVG: 2601400 3.49043 13.9524 -14.8751 13.9524 -36.0957 11.7328 -14.875 11.7329 36.2153 GPRESSAVG: 2601400 3.10303 14.5747 -14.1035 13.1417 -34.5151 11.3552 -18.4174 11.082 35.2114 TIMING: 2601400 CPU: 7753, 0.00299736/step Wall: 7753, 0.00299736/step, 1.99707 hours remaining, 206.511719 MB of memory in use. ENERGY: 2601400 708.4031 2048.0221 1922.4180 110.0861 -205620.9884 17760.5401 0.0000 0.0000 34277.5536 -148793.9654 299.3544 -183071.5190 -148694.7645 299.3614 180.3182 209.7887 556201.1502 1.2034 1.2664 PRESSURE: 2601600 -13.6341 118.377 -30.525 118.376 194.741 -36.5158 -30.5255 -36.5167 227.84 GPRESSURE: 2601600 55.9293 142.733 -160.126 99.8819 173.253 -25.6314 77.978 -29.0655 269.062 PRESSAVG: 2601600 -0.396069 -23.7171 -22.7648 -23.7171 52.9959 -47.6238 -22.7648 -47.6237 -37.5079 GPRESSAVG: 2601600 -0.31241 -23.6571 -24.7776 -24.0815 51.9914 -47.5529 -19.4516 -46.3967 -36.0108 TIMING: 2601600 CPU: 7753.59, 0.00299228/step Wall: 7753.59, 0.00299228/step, 1.99352 hours remaining, 206.511719 MB of memory in use. ENERGY: 2601600 713.2171 2053.5759 1934.1081 125.2720 -205710.8744 17751.6468 0.0000 0.0000 34246.7471 -148886.3073 299.0854 -183133.0545 -148790.1179 300.0996 136.3156 166.0815 557626.5742 5.0307 5.2227 PRESSURE: 2601800 -56.4574 -32.4766 -8.37622 -32.475 216.692 -98.2554 -8.37621 -98.2555 207.385 GPRESSURE: 2601800 -19.5224 -61.0298 1.11198 -29.3837 229.459 -46.0817 -13.8788 -125.904 257.459 PRESSAVG: 2601800 -25.2916 -9.14208 -25.0415 -9.14199 64.0244 -35.3102 -25.0415 -35.3101 -16.0877 GPRESSAVG: 2601800 -24.9261 -9.49339 -23.3051 -9.57972 65.0216 -35.0874 -25.2739 -36.3967 -17.3701 TIMING: 2601800 CPU: 7754.19, 0.00299769/step Wall: 7754.19, 0.00299769/step, 1.99696 hours remaining, 206.511719 MB of memory in use. ENERGY: 2601800 738.5953 2033.7027 1936.2194 117.7704 -205980.2933 17851.1199 0.0000 0.0000 34337.1727 -148965.7128 299.8751 -183302.8856 -148876.3691 300.2768 122.5396 155.7985 557451.1046 7.5484 7.5751 PRESSURE: 2602000 -23.5795 1.31229 56.5143 1.31376 -18.5157 -59.8189 56.5155 -59.8189 -134.861 GPRESSURE: 2602000 -8.64629 82.5259 76.0008 -25.9573 18.216 -60.7457 59.4023 8.43903 -92.5219 PRESSAVG: 2602000 -4.18348 -4.30719 -13.7264 -4.3071 79.9363 -5.06363 -13.7264 -5.06372 -24.1764 GPRESSAVG: 2602000 -4.1901 -5.80182 -14.5379 -5.37735 80.4956 -5.76897 -14.8889 -4.23509 -24.1919 TIMING: 2602000 CPU: 7754.79, 0.00298669/step Wall: 7754.79, 0.00298669/step, 1.98947 hours remaining, 206.511719 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: 2602000 746.7941 2033.3194 1923.4173 105.5706 -206140.2535 17702.8777 0.0000 0.0000 34604.6204 -149023.6541 302.2108 -183628.2744 -148927.6385 300.2664 -58.9854 -27.6507 557705.4440 17.1922 17.3712 PRESSURE: 2602200 123.559 114.162 -71.1466 114.163 -31.0702 126.975 -71.1459 126.974 -178.99 GPRESSURE: 2602200 108.919 35.1914 -59.8435 98.7981 -19.5967 114.835 -123.89 125.057 -58.3565 PRESSAVG: 2602200 -25.8185 14.0054 5.05072 14.0054 -3.9569 -25.2007 5.05068 -25.2007 20.3131 GPRESSAVG: 2602200 -24.1996 13.8464 6.28313 16.6346 -4.88494 -26.5678 4.35595 -24.3703 19.5146 TIMING: 2602200 CPU: 7755.39, 0.00298028/step Wall: 7755.39, 0.00298028/step, 1.98503 hours remaining, 206.511719 MB of memory in use. ENERGY: 2602200 743.9437 2019.9682 1946.0745 115.9394 -206157.3597 17922.3889 0.0000 0.0000 34277.3176 -149131.7274 299.3523 -183409.0450 -149035.5346 300.0337 -28.8339 10.3220 557811.8360 -3.1541 -3.1900 PRESSURE: 2602400 -57.6222 -34.6535 -31.5894 -34.6527 257.782 -72.6437 -31.59 -72.6442 -89.6545 GPRESSURE: 2602400 -42.5729 -31.2755 -171.001 -27.9386 324.453 -68.9472 30.7197 -89.8934 -68.4478 PRESSAVG: 2602400 -48.6093 23.8097 -38.6781 23.8098 44.4631 -25.0265 -38.6782 -25.0265 -0.0127821 GPRESSAVG: 2602400 -49.3034 25.6236 -40.3545 19.4889 44.9219 -24.0926 -37.8349 -27.2055 0.136132 TIMING: 2602400 CPU: 7755.98, 0.00297403/step Wall: 7755.98, 0.00297403/step, 1.9807 hours remaining, 206.511719 MB of memory in use. ENERGY: 2602400 750.5254 2119.1730 1936.4235 110.9522 -205977.7446 17756.7104 0.0000 0.0000 34259.7042 -149044.2558 299.1985 -183303.9600 -148945.5004 299.7558 36.8350 71.1442 557442.7170 -1.3863 -1.4151 PRESSURE: 2602600 14.3117 35.0187 153.055 35.0193 -291.903 -152.014 153.055 -152.015 -209.681 GPRESSURE: 2602600 45.9679 158.285 96.0115 -11.9807 -278.319 -141.732 163.502 -148.077 -167.325 PRESSAVG: 2602600 4.35428 -3.20454 6.41406 -3.20449 -32.3977 -60.9836 6.41405 -60.9836 32.296 GPRESSAVG: 2602600 3.31288 -2.24993 7.47976 -1.21104 -31.3573 -61.2596 6.34672 -59.3778 32.1294 TIMING: 2602600 CPU: 7756.58, 0.00297763/step Wall: 7756.58, 0.00297763/step, 1.98294 hours remaining, 206.511719 MB of memory in use. ENERGY: 2602600 724.3825 2106.7858 1945.6192 116.8102 -206078.6655 17630.3586 0.0000 0.0000 34371.3719 -149183.3374 300.1737 -183554.7092 -149087.1622 299.9202 -162.4242 -133.2252 557301.0813 1.4175 1.3617 PRESSURE: 2602800 239.409 74.7401 35.8281 74.7413 61.5876 49.8976 35.8281 49.8979 171.468 GPRESSURE: 2602800 242.148 96.2505 109.786 38.9216 78.871 24.4764 59.9965 67.8056 249.156 PRESSAVG: 2602800 -20.844 -11.3621 37.757 -11.3621 -24.7031 -30.3526 37.757 -30.3526 4.56486 GPRESSAVG: 2602800 -19.7543 -11.8269 37.196 -10.389 -26.5815 -31.5543 36.3622 -29.4802 5.80308 TIMING: 2602800 CPU: 7757.18, 0.00299265/step Wall: 7757.18, 0.00299265/step, 1.99278 hours remaining, 206.511719 MB of memory in use. ENERGY: 2602800 733.2352 2065.3286 1925.5401 112.8287 -206313.1016 17945.5649 0.0000 0.0000 34253.6838 -149276.9204 299.1459 -183530.6042 -149188.1391 299.3604 157.4882 190.0582 556632.9399 -13.6607 -13.5109 PRESSURE: 2603000 266.83 -113.063 -34.6171 -113.064 -107.168 -199.779 -34.6165 -199.779 304.767 GPRESSURE: 2603000 333.302 -4.38162 40.5075 -140.261 -56.8624 -161.235 -108.715 -178.68 277.776 PRESSAVG: 2603000 20.1247 -25.1877 -25.9041 -25.1877 -42.0907 -7.76349 -25.9042 -7.7635 -2.10953 GPRESSAVG: 2603000 19.3285 -25.6989 -24.3248 -27.6317 -42.3643 -5.5917 -26.2449 -7.80143 -1.81625 TIMING: 2603000 CPU: 7757.77, 0.00297922/step Wall: 7757.77, 0.00297922/step, 1.98366 hours remaining, 206.511719 MB of memory in use. ENERGY: 2603000 719.1437 2131.3998 1938.7757 107.7711 -206111.4851 17961.2146 0.0000 0.0000 33993.0596 -149260.1205 296.8698 -183253.1801 -149168.4019 298.7784 154.8094 184.7385 557422.1096 -8.0252 -8.2840 PRESSURE: 2603200 -234.118 27.0963 -24.0335 27.0941 -136.675 -166.745 -24.0343 -166.746 -258.771 GPRESSURE: 2603200 -264.922 -20.7898 -27.7699 66.0713 -65.3705 -163.542 -32.987 -131.12 -208.353 PRESSAVG: 2603200 38.4532 -17.4502 -9.08911 -17.4502 -18.7852 -46.7425 -9.08919 -46.7425 9.4118 GPRESSAVG: 2603200 39.6227 -17.7103 -11.1089 -15.9114 -19.2154 -48.2808 -7.2071 -46.2561 8.42224 TIMING: 2603200 CPU: 7758.37, 0.0030103/step Wall: 7758.37, 0.0030103/step, 2.00419 hours remaining, 206.511719 MB of memory in use. ENERGY: 2603200 745.6034 2017.5823 1926.1232 114.8569 -205897.0918 17470.0035 0.0000 0.0000 34211.2084 -149411.7141 298.7750 -183622.9225 -149306.9542 297.9248 -209.8547 -179.5485 555947.0253 9.6932 9.6098 PRESSURE: 2603400 175.39 -30.7876 -116.702 -30.7861 219.144 2.01609 -116.701 2.01698 103.084 GPRESSURE: 2603400 246.993 1.07615 -72.8349 19.8884 251.125 19.7023 -167.537 47.7818 92.1734 PRESSAVG: 2603400 -17.228 -33.1429 -36.3042 -33.143 50.9263 30.2481 -36.3042 30.248 -34.3123 GPRESSAVG: 2603400 -18.5274 -35.4311 -35.7343 -31.9501 51.3949 29.8618 -35.3954 29.0945 -34.1297 TIMING: 2603400 CPU: 7758.98, 0.00301176/step Wall: 7758.98, 0.00301176/step, 2.005 hours remaining, 206.511719 MB of memory in use. ENERGY: 2603400 720.5141 2090.6783 1927.3608 109.4079 -206547.8078 18002.9583 0.0000 0.0000 34216.0293 -149480.8590 298.8171 -183696.8883 -149381.1207 298.7823 165.8729 196.7638 557104.7587 -0.2047 -0.4207 PRESSURE: 2603600 -190.891 80.379 -5.38224 80.3793 19.6505 99.5928 -5.38122 99.5916 258.829 GPRESSURE: 2603600 -200.612 44.0452 -52.4393 96.3061 107.718 16.7324 -57.2624 148.611 285.48 PRESSAVG: 2603600 -48.1696 -54.2921 33.3317 -54.2921 16.8961 51.0572 33.3319 51.0574 33.3091 GPRESSAVG: 2603600 -47.5696 -53.1966 35.5195 -55.6613 16.7817 52.0458 31.0641 51.3561 32.947 TIMING: 2603600 CPU: 7759.58, 0.0029933/step Wall: 7759.58, 0.0029933/step, 1.99254 hours remaining, 206.511719 MB of memory in use. ENERGY: 2603600 743.5885 2069.7951 1944.0233 123.3282 -206095.9297 17789.3478 0.0000 0.0000 34069.3088 -149356.5380 297.5357 -183425.8468 -149256.9848 298.8131 29.1961 64.1951 557190.0789 0.6785 0.7197 PRESSURE: 2603800 -151.145 -14.9839 21.8904 -14.9835 101.23 63.4905 21.8902 63.4914 -145.479 GPRESSURE: 2603800 -140.699 -84.5919 97.5891 97.5979 170.268 -26.312 -74.735 138.87 -138.351 PRESSAVG: 2603800 -9.79566 -30.6869 35.0683 -30.6869 44.9429 71.1762 35.0683 71.1763 26.0157 GPRESSAVG: 2603800 -9.90357 -32.2318 33.5052 -29.7872 45.3133 71.3756 37.5203 70.745 26.4845 TIMING: 2603800 CPU: 7760.17, 0.00299101/step Wall: 7760.17, 0.00299101/step, 1.99085 hours remaining, 206.511719 MB of memory in use. ENERGY: 2603800 762.0664 2065.6357 1927.0396 108.2523 -206100.7796 17721.3389 0.0000 0.0000 34107.1849 -149409.2618 297.8665 -183516.4467 -149311.3857 299.0007 -65.1313 -36.2607 556609.8901 20.3876 20.6314 PRESSURE: 2604000 339.531 -41.9342 227.769 -41.9331 198.631 -35.3456 227.768 -35.3441 16.7444 GPRESSURE: 2604000 368.627 -83.7046 278.871 -100.335 260.938 -106.58 180.131 18.4515 29.5371 PRESSAVG: 2604000 19.9231 -43.5112 27.4145 -43.5112 13.9932 17.7091 27.4146 17.7092 -12.6444 GPRESSAVG: 2604000 18.8672 -42.8103 28.1105 -43.5633 14.9255 19.4477 25.3647 16.8985 -12.3262 TIMING: 2604000 CPU: 7760.78, 0.00301368/step Wall: 7760.78, 0.00301368/step, 2.00577 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: 2604000 726.0702 2126.5123 1946.0981 119.1777 -206611.3079 17952.8968 0.0000 0.0000 34274.3310 -149466.2218 299.3263 -183740.5528 -149369.2954 299.1782 184.9689 219.7006 555533.5070 7.0906 7.1555 PRESSURE: 2604200 -98.2348 173.626 38.4033 173.625 -178.244 66.4127 38.4021 66.4118 -272.599 GPRESSURE: 2604200 -84.6594 142.089 49.8456 129.132 -97.3202 44.5399 41.4913 30.7846 -261.173 PRESSAVG: 2604200 93.9913 -12.3604 -0.729853 -12.3604 -53.4249 -41.2609 -0.729834 -41.2609 -17.5822 GPRESSAVG: 2604200 95.7362 -12.5422 -0.841396 -11.9323 -53.9437 -42.1439 -0.544519 -39.5702 -18.6326 TIMING: 2604200 CPU: 7761.38, 0.00299333/step Wall: 7761.38, 0.00299333/step, 1.99206 hours remaining, 206.714844 MB of memory in use. ENERGY: 2604200 770.6703 2139.6764 1941.7585 104.7631 -206553.9811 17872.1889 0.0000 0.0000 34251.3296 -149473.5944 299.1254 -183724.9239 -149384.5870 299.3966 -183.0259 -147.7175 557936.0137 7.6614 7.7200 LDB: ============= START OF LOAD BALANCING ============== 7764.8 LDB: ============== END OF LOAD BALANCING =============== 7764.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7764.8 LDB: ============= START OF LOAD BALANCING ============== 7765.1 LDB: Largest compute 4821 load 0.026773 is 22.7% of average load 0.118054 LDB: Average compute 0.001731 is 1.5% of average load 0.118054 LDB: TIME 7765.1 LOAD: AVG 0.118054 MAX 0.202858 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 7765.1 LOAD: AVG 0.118054 MAX 0.202858 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 7765.1 LOAD: AVG 0.118054 MAX 0.202858 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7765.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7765.11 PRESSURE: 2604400 -104.666 89.3262 125.997 89.3258 -151.36 66.4274 125.996 66.426 -358.157 GPRESSURE: 2604400 -95.598 51.135 118.087 51.8876 -87.7713 93.2964 158.023 90.4865 -326.423 PRESSAVG: 2604400 -4.53078 -4.51255 47.3902 -4.51261 -32.7507 12.361 47.3901 12.361 8.86508 GPRESSAVG: 2604400 -3.99047 -4.47706 48.4265 -4.90292 -33.3589 13.7084 46.513 11.1987 8.44576 TIMING: 2604400 CPU: 7761.98, 0.00302823/step Wall: 7761.98, 0.00302823/step, 2.01512 hours remaining, 205.941406 MB of memory in use. ENERGY: 2604400 722.5853 2062.8790 1963.0096 109.0482 -206035.4579 17341.1638 0.0000 0.0000 34315.3979 -149521.3741 299.6849 -183836.7720 -149424.1512 299.3669 -204.7276 -169.9309 556463.4698 -9.4721 -9.6345 PRESSURE: 2604600 -92.8802 -144.735 4.73138 -144.735 -191.767 -44.5289 4.73201 -44.5277 94.6614 GPRESSURE: 2604600 -87.0942 -135.625 4.42057 -110.765 -141.846 -6.62926 31.7525 -57.0654 128.585 PRESSAVG: 2604600 12.763 -23.9709 43.909 -23.9709 -34.9132 -20.517 43.9089 -20.5169 -2.6988 GPRESSAVG: 2604600 11.5043 -23.0302 42.9765 -24.6296 -35.1677 -23.7726 45.6367 -18.5758 -1.39594 TIMING: 2604600 CPU: 7762.57, 0.00296379/step Wall: 7762.57, 0.00296379/step, 1.97208 hours remaining, 206.144531 MB of memory in use. ENERGY: 2604600 754.5282 2091.1275 1963.6919 120.7642 -206094.9531 17602.2355 0.0000 0.0000 34246.8627 -149315.7431 299.0864 -183562.6058 -149214.6087 299.2423 -63.3284 -33.4518 556662.7950 -8.2830 -8.3531 PRESSURE: 2604800 201.353 14.5574 126.951 14.5577 154.43 -123.545 126.951 -123.545 -93.6025 GPRESSURE: 2604800 197.78 -20.5757 79.2988 76.2129 187.19 -149.455 87.4182 -136.686 -44.9218 PRESSAVG: 2604800 -1.72209 -31.8072 27.6964 -31.8073 3.00374 8.16895 27.6964 8.16894 -9.51801 GPRESSAVG: 2604800 -1.63745 -33.2419 26.9349 -31.0838 3.7141 10.3939 27.4508 6.34987 -11.0877 TIMING: 2604800 CPU: 7763.17, 0.00298714/step Wall: 7763.17, 0.00298714/step, 1.98744 hours remaining, 206.144531 MB of memory in use. ENERGY: 2604800 729.6378 2135.6539 1972.0976 115.3422 -206227.6165 17806.0847 0.0000 0.0000 34238.2046 -149230.5957 299.0108 -183468.8003 -149137.6067 299.4769 87.3936 113.3495 557421.4541 -2.7455 -3.0037 PRESSURE: 2605000 -257.13 83.7978 -73.5407 83.7985 -156.15 -292.088 -73.5405 -292.089 -31.664 GPRESSURE: 2605000 -196.854 13.7319 -3.52271 132.948 -120.7 -309.748 -75.637 -234.967 -40.9045 PRESSAVG: 2605000 10.257 -23.5926 58.8137 -23.5926 -27.4811 -48.4482 58.8139 -48.4482 13.8098 GPRESSAVG: 2605000 9.5127 -25.412 59.9556 -23.9701 -27.9085 -47.9831 58.6742 -49.4411 14.8916 TIMING: 2605000 CPU: 7763.77, 0.00298528/step Wall: 7763.77, 0.00298528/step, 1.98604 hours remaining, 206.144531 MB of memory in use. ENERGY: 2605000 793.3417 2094.5191 1952.4258 108.3584 -206309.3590 17755.3512 0.0000 0.0000 34220.2394 -149385.1233 298.8539 -183605.3627 -149288.7673 299.3061 -148.3148 -119.4863 557997.9687 -1.1381 -1.1681 PRESSURE: 2605200 -1.12457 -55.7606 -9.81202 -55.7613 -405.689 -80.3317 -9.81248 -80.3315 -133.915 GPRESSURE: 2605200 29.6403 -58.579 -20.5258 -75.4584 -371.396 27.8459 -46.3922 -150.611 -114.874 PRESSAVG: 2605200 18.0767 -44.0821 -33.38 -44.0821 -16.5289 -56.4489 -33.38 -56.4489 38.1382 GPRESSAVG: 2605200 19.45 -42.1135 -34.4446 -43.3489 -17.1513 -56.9086 -35.1894 -57.1239 37.5889 TIMING: 2605200 CPU: 7764.36, 0.00296342/step Wall: 7764.36, 0.00296342/step, 1.97133 hours remaining, 206.144531 MB of memory in use. ENERGY: 2605200 738.1132 1994.9203 1965.1108 137.6637 -206065.5360 17529.9554 0.0000 0.0000 34195.6192 -149504.1535 298.6388 -183699.7727 -149412.1914 298.4433 -180.2429 -152.2100 556713.9591 13.2287 13.2959 PRESSURE: 2605400 75.6611 -170.655 171.286 -170.654 54.2177 -25.7402 171.285 -25.7379 -119.882 GPRESSURE: 2605400 128.808 -194.987 142.347 -112.117 123.68 -19.1397 182.005 -55.123 -144.287 PRESSAVG: 2605400 21.6125 11.9485 -46.7408 11.9485 23.5088 -4.82386 -46.7408 -4.82383 -30.9033 GPRESSAVG: 2605400 21.2783 12.4246 -45.4817 11.6597 23.9226 -5.0189 -44.5325 -3.01426 -30.9416 TIMING: 2605400 CPU: 7764.96, 0.00297576/step Wall: 7764.96, 0.00297576/step, 1.97937 hours remaining, 206.144531 MB of memory in use. ENERGY: 2605400 722.0592 2073.9489 1952.5322 117.5339 -206498.2202 17820.0141 0.0000 0.0000 34119.1631 -149692.9687 297.9711 -183812.1318 -149604.3887 298.5342 3.3322 36.0671 556943.1352 4.7393 4.7531 PRESSURE: 2605600 -6.90223 -38.9079 154.601 -38.9076 -133.897 -28.0703 154.6 -28.0714 -181.104 GPRESSURE: 2605600 -24.5331 85.7945 232.444 -103.717 -125.02 -47.7882 61.634 4.79351 -78.7213 PRESSAVG: 2605600 -21.4623 -3.69892 15.3752 -3.69893 -1.77712 -51.8243 15.3752 -51.8244 -2.26631 GPRESSAVG: 2605600 -21.2597 -5.034 16.206 -3.70283 -1.19264 -53.3593 15.3977 -50.7658 -3.03782 TIMING: 2605600 CPU: 7765.55, 0.00295418/step Wall: 7765.55, 0.00295418/step, 1.96486 hours remaining, 206.144531 MB of memory in use. ENERGY: 2605600 757.2143 2087.0951 1964.8011 119.1205 -206214.6995 17685.7379 0.0000 0.0000 34053.1999 -149547.5306 297.3951 -183600.7305 -149448.7581 297.6467 -107.3010 -76.0916 557450.6608 -8.5019 -8.4967 PRESSURE: 2605800 205.21 -185.927 34.4545 -185.926 -38.9605 84.2915 34.4553 84.2915 -44.7161 GPRESSURE: 2605800 224.875 -184.492 -54.8177 -104.098 -12.6319 101.731 -26.7453 107.711 9.70903 PRESSAVG: 2605800 52.3563 -16.8042 36.0148 -16.8042 -42.9636 43.7803 36.0149 43.7804 -55.841 GPRESSAVG: 2605800 51.2085 -17.0016 35.9706 -17.0118 -42.6959 41.8302 35.6689 43.2996 -55.2315 TIMING: 2605800 CPU: 7766.14, 0.00298156/step Wall: 7766.14, 0.00298156/step, 1.9829 hours remaining, 206.144531 MB of memory in use. ENERGY: 2605800 766.7374 2042.9676 1978.8628 115.0700 -206366.7587 18050.8510 0.0000 0.0000 34037.1027 -149375.1673 297.2545 -183412.2700 -149278.3110 298.6283 40.5112 73.9839 557297.3414 -15.4828 -15.5730 PRESSURE: 2606000 9.44075 75.9886 73.3359 75.9884 -24.436 42.0936 73.3363 42.0936 -297.584 GPRESSURE: 2606000 24.427 106.33 125.428 88.2852 24.9834 101.593 63.1916 -69.3315 -256.725 PRESSAVG: 2606000 12.8298 -33.9902 -33.8107 -33.9901 36.7518 13.7217 -33.8107 13.7216 -9.80087 GPRESSAVG: 2606000 12.9495 -32.3699 -32.8563 -34.6186 36.1263 16.0286 -34.5237 12.1728 -9.25126 TIMING: 2606000 CPU: 7766.74, 0.002987/step Wall: 7766.74, 0.002987/step, 1.98636 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: 2606000 711.0575 2095.7753 1947.4594 111.5553 -205943.0892 17449.2564 0.0000 0.0000 34405.1961 -149222.7892 300.4691 -183627.9852 -149124.9284 299.1366 -104.1931 -69.1047 557040.2218 13.2602 13.2749 PRESSURE: 2606200 -27.2239 -95.7329 30.4908 -95.7322 11.7941 48.0188 30.4902 48.02 -30.644 GPRESSURE: 2606200 -6.8032 -75.3128 29.4417 -91.809 38.4767 81.9142 -2.43997 52.4697 17.0764 PRESSAVG: 2606200 43.9175 10.7028 -14.3662 10.7029 -15.0078 52.3416 -14.3662 52.3417 -16.1362 GPRESSAVG: 2606200 44.1963 10.9383 -14.4171 10.153 -14.1146 53.6 -14.211 51.9724 -17.1708 TIMING: 2606200 CPU: 7767.34, 0.00300082/step Wall: 7767.34, 0.00300082/step, 1.99538 hours remaining, 206.144531 MB of memory in use. ENERGY: 2606200 784.8532 2079.9312 1929.7535 118.7202 -206529.2678 18069.8860 0.0000 0.0000 34174.2627 -149371.8609 298.4523 -183546.1236 -149284.5459 298.9293 -15.3579 16.2499 558652.5788 4.2578 4.3036 PRESSURE: 2606400 182.101 216.848 -63.112 216.849 -54.9396 212.307 -63.1121 212.308 261.149 GPRESSURE: 2606400 217.268 196.047 111.627 163.986 -21.8174 151.947 -120.754 279.105 277.246 PRESSAVG: 2606400 -15.1008 43.8122 -22.3847 43.8121 59.4032 47.7951 -22.3847 47.795 -11.1752 GPRESSAVG: 2606400 -14.4658 44.4393 -22.8184 43.8574 58.0806 45.6018 -22.2792 49.0471 -10.2249 TIMING: 2606400 CPU: 7767.94, 0.00300236/step Wall: 7767.94, 0.00300236/step, 1.99623 hours remaining, 206.144531 MB of memory in use. ENERGY: 2606400 735.1895 2048.5500 1955.6733 120.4813 -206621.6578 18103.0355 0.0000 0.0000 34291.0330 -149367.6952 299.4721 -183658.7283 -149269.7918 299.2230 129.4368 157.5655 557416.7489 11.0424 11.1300 PRESSURE: 2606600 -54.7522 -81.0739 -39.3879 -81.0754 -160.684 -70.5924 -39.388 -70.5942 -225.177 GPRESSURE: 2606600 47.2858 -97.6825 -67.7587 -92.6283 -201.335 -132.77 -11.3648 -31.6565 -188.266 PRESSAVG: 2606600 56.4839 9.73128 -0.00886834 9.73117 -33.199 -39.7832 -0.0089003 -39.7831 -27.3865 GPRESSAVG: 2606600 56.0583 8.40567 -1.68095 9.20312 -32.8843 -40.5244 0.688448 -39.9685 -27.5548 TIMING: 2606600 CPU: 7768.54, 0.00298534/step Wall: 7768.54, 0.00298534/step, 1.98475 hours remaining, 206.144531 MB of memory in use. ENERGY: 2606600 727.5535 2102.3780 1948.5952 108.2714 -206541.7494 17718.6239 0.0000 0.0000 34438.4522 -149497.8751 300.7596 -183936.3273 -149395.3003 298.7413 -146.8712 -114.1049 558276.2671 -1.3672 -1.4602 PRESSURE: 2606800 160.103 -127.914 53.5034 -127.914 -153.094 129.643 53.5025 129.643 -93.2745 GPRESSURE: 2606800 116.393 -123.02 94.0415 -58.9999 -17.9313 65.4142 -4.16859 116.944 -95.4186 PRESSAVG: 2606800 -29.3283 -20.2445 -27.8024 -20.2446 3.44764 -28.4742 -27.8024 -28.4742 41.869 GPRESSAVG: 2606800 -30.1034 -19.3938 -24.7088 -19.3971 3.4247 -28.3089 -29.2531 -28.9827 42.3999 TIMING: 2606800 CPU: 7769.14, 0.00301129/step Wall: 7769.14, 0.00301129/step, 2.00184 hours remaining, 206.144531 MB of memory in use. ENERGY: 2606800 759.1999 2082.8353 1964.7572 120.4319 -206732.9887 18076.1646 0.0000 0.0000 34218.5145 -149511.0853 298.8388 -183729.5998 -149418.1531 298.6714 -28.7551 1.0145 557316.2011 5.3294 5.2404 PRESSURE: 2607000 -292.588 10.4184 -6.58691 10.4175 -296.383 -119.92 -6.58824 -119.921 -188.306 GPRESSURE: 2607000 -220.306 -21.9104 -69.3749 9.93977 -288.153 -188.661 75.9674 -97.1073 -160.511 PRESSAVG: 2607000 -7.93882 19.4898 -18.3876 19.4897 33.9539 -6.34605 -18.3876 -6.34605 -22.2656 GPRESSAVG: 2607000 -8.13758 21.1342 -21.4416 17.9096 34.7438 -4.2434 -16.6109 -7.08124 -22.19 TIMING: 2607000 CPU: 7769.74, 0.00301194/step Wall: 7769.74, 0.00301194/step, 2.00211 hours remaining, 206.144531 MB of memory in use. ENERGY: 2607000 722.6361 2110.0812 1942.3199 121.7113 -205738.0546 17251.0062 0.0000 0.0000 34253.4798 -149336.8202 299.1442 -183590.2999 -149235.6030 299.1008 -259.0926 -222.9900 557470.1621 1.2498 1.4721 PRESSURE: 2607200 -317.188 71.0789 129.356 71.0795 -46.301 20.2363 129.359 20.2349 140.401 GPRESSURE: 2607200 -205.345 86.7384 100.075 24.9594 -73.9402 19.2589 107.2 78.4748 156.78 PRESSAVG: 2607200 -1.50107 -15.2079 -1.34391 -15.208 -0.116215 -39.0375 -1.34396 -39.0374 12.9128 GPRESSAVG: 2607200 -1.26148 -15.667 -1.47852 -15.5328 0.226385 -38.3919 -2.08467 -39.5676 12.4118 TIMING: 2607200 CPU: 7770.34, 0.00300716/step Wall: 7770.34, 0.00300716/step, 1.99876 hours remaining, 206.144531 MB of memory in use. ENERGY: 2607200 741.5777 2121.8962 1957.3114 120.5148 -206264.5314 17670.6144 0.0000 0.0000 34588.8353 -149063.7816 302.0729 -183652.6169 -148963.4907 299.7791 -74.3626 -40.8349 556540.9849 3.7652 3.7922 PRESSURE: 2607400 19.2657 -157.552 130.798 -157.551 -25.7066 -284.073 130.798 -284.073 -61.3907 GPRESSURE: 2607400 82.9763 -110.851 145.32 -104.565 -53.8101 -324.289 87.7058 -252.196 14.1057 PRESSAVG: 2607400 6.38616 -28.0883 -2.4567 -28.0883 10.9802 -13.3704 -2.45676 -13.3705 -1.70129 GPRESSAVG: 2607400 7.74366 -28.756 -3.01164 -26.2536 9.39209 -14.7456 -1.76885 -12.2878 -1.25652 TIMING: 2607400 CPU: 7770.94, 0.00299471/step Wall: 7770.94, 0.00299471/step, 1.99032 hours remaining, 206.144531 MB of memory in use. ENERGY: 2607400 714.2079 2113.8456 1949.9221 123.1865 -206133.1142 17770.8807 0.0000 0.0000 34356.1746 -149104.8968 300.0410 -183461.0714 -149006.1680 300.3821 -22.6105 14.4240 557321.2288 5.2217 5.2931 PRESSURE: 2607600 -111.288 76.239 0.287619 76.2399 -240.035 -73.3189 0.288466 -73.3196 -11.8941 GPRESSURE: 2607600 -90.2053 121.874 -33.7031 63.1924 -198.666 -45.8673 -20.7581 -88.9756 36.3192 PRESSAVG: 2607600 50.4181 43.2327 46.7385 43.2328 2.51442 20.6107 46.7385 20.6105 -79.3202 GPRESSAVG: 2607600 50.6032 44.7834 47.9453 41.9127 3.12482 21.5042 46.4387 21.1523 -80.2478 TIMING: 2607600 CPU: 7771.54, 0.00299103/step Wall: 7771.54, 0.00299103/step, 1.9877 hours remaining, 206.144531 MB of memory in use. ENERGY: 2607600 760.4381 2103.3868 1939.9403 120.5476 -205954.3918 17451.9190 0.0000 0.0000 34380.7885 -149197.3714 300.2560 -183578.1599 -149098.4467 300.0540 -121.0722 -84.1839 556636.9895 -8.7959 -8.8400 PRESSURE: 2607800 -271.539 -198.241 -60.3186 -198.241 -246.242 53.0412 -60.3176 53.041 -164.012 GPRESSURE: 2607800 -264.285 -146.869 -115.902 -191.028 -207.431 10.0711 12.4044 43.7971 -112.574 PRESSAVG: 2607800 -5.2407 -51.755 -9.84457 -51.755 39.1182 -44.0672 -9.84445 -44.067 -16.0955 GPRESSAVG: 2607800 -6.11986 -51.4685 -9.22318 -53.4932 39.7288 -45.1961 -9.78002 -43.8714 -15.656 TIMING: 2607800 CPU: 7772.14, 0.00301382/step Wall: 7772.14, 0.00301382/step, 2.00269 hours remaining, 206.144531 MB of memory in use. ENERGY: 2607800 754.4290 2132.2812 1950.9730 118.3621 -205622.7050 17408.9523 0.0000 0.0000 34040.6178 -149217.0897 297.2852 -183257.7075 -149120.4782 298.7603 -227.2642 -194.7632 559025.9106 5.9273 5.9843 PRESSURE: 2608000 -122.586 -93.7351 79.2382 -93.7345 -332.04 -109.988 79.2385 -109.99 -92.282 GPRESSURE: 2608000 -94.3089 -114.522 35.4027 -65.7046 -298.618 -135.027 58.3571 -36.1175 -50.1538 PRESSAVG: 2608000 4.32297 -14.465 -15.0123 -14.465 19.67 -27.8577 -15.0124 -27.8577 -16.3022 GPRESSAVG: 2608000 4.85157 -14.8237 -14.4958 -11.6239 20.2542 -27.8948 -15.2425 -26.7853 -17.5784 TIMING: 2608000 CPU: 7772.74, 0.00299534/step Wall: 7772.74, 0.00299534/step, 1.99024 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: 2608000 753.1115 2096.9454 1932.9928 101.3160 -205903.9587 17527.8929 0.0000 0.0000 34276.3675 -149215.3325 299.3440 -183491.7000 -149115.4262 298.9406 -182.3025 -147.6935 558685.0552 2.5636 2.5091 PRESSURE: 2608200 121.488 61.4315 -72.5764 61.4306 -87.5393 248.497 -72.5762 248.496 11.2251 GPRESSURE: 2608200 142.569 48.9425 -22.1303 1.65573 -90.3162 217.203 -124.418 139.714 92.7413 PRESSAVG: 2608200 60.098 3.41594 -21.8196 3.41594 -21.7614 16.6279 -21.8196 16.6279 12.9032 GPRESSAVG: 2608200 60.7292 3.32953 -24.2146 2.2274 -23.0826 16.7262 -20.9195 13.4826 14.1041 TIMING: 2608200 CPU: 7773.34, 0.00299312/step Wall: 7773.34, 0.00299312/step, 1.9886 hours remaining, 206.144531 MB of memory in use. ENERGY: 2608200 715.4570 2134.1937 1921.0251 128.2005 -206245.3497 17835.9722 0.0000 0.0000 34334.6113 -149175.8898 299.8527 -183510.5011 -149071.0319 299.4456 15.0581 48.3314 557311.1891 17.0799 17.2502 LDB: ============= START OF LOAD BALANCING ============== 7776.77 LDB: ============== END OF LOAD BALANCING =============== 7776.77 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7776.77 LDB: ============= START OF LOAD BALANCING ============== 7777.08 LDB: Largest compute 4821 load 0.025822 is 21.9% of average load 0.118052 LDB: Average compute 0.001725 is 1.5% of average load 0.118052 LDB: TIME 7777.08 LOAD: AVG 0.118052 MAX 0.205114 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.125 MB LDB: TIME 7777.08 LOAD: AVG 0.118052 MAX 0.205114 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.125 MB LDB: TIME 7777.08 LOAD: AVG 0.118052 MAX 0.205114 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.125 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7777.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7777.09 PRESSURE: 2608400 -31.9299 275.933 149.678 275.933 9.75154 30.3674 149.679 30.366 42.0039 GPRESSURE: 2608400 14.7391 200.431 208.647 286.739 23.285 12.268 142.117 44.0091 88.3959 PRESSAVG: 2608400 32.2114 95.3275 -25.6033 95.3275 -8.19395 35.9954 -25.6034 35.9954 -11.1049 GPRESSAVG: 2608400 32.33 94.3581 -23.118 96.8284 -8.52064 37.0065 -24.9172 37.6948 -10.3159 TIMING: 2608400 CPU: 7773.96, 0.00308021/step Wall: 7773.96, 0.00308021/step, 2.04629 hours remaining, 205.941406 MB of memory in use. ENERGY: 2608400 768.2687 2133.7761 1922.8045 121.1474 -206436.6691 17905.3380 0.0000 0.0000 34473.7272 -149111.6073 301.0676 -183585.3345 -149017.8738 299.8307 6.6085 42.1400 556659.7021 4.3042 4.4978 PRESSURE: 2608600 -137.654 5.29891 113.254 5.29857 -256.263 54.8915 113.255 54.8935 -155.13 GPRESSURE: 2608600 -164.14 -18.4176 119.162 25.7515 -209.196 42.0832 79.1999 73.0346 -79.2551 PRESSAVG: 2608600 -40.318 0.651068 -19.3034 0.651078 44.2169 -7.89196 -19.3034 -7.89184 -0.681427 GPRESSAVG: 2608600 -41.3605 0.457718 -19.3655 -0.388372 45.0135 -8.93318 -20.7351 -8.50967 -0.0988575 TIMING: 2608600 CPU: 7774.56, 0.00301719/step Wall: 7774.56, 0.00301719/step, 2.00425 hours remaining, 206.144531 MB of memory in use. ENERGY: 2608600 724.2745 2093.5264 1950.6256 103.8518 -205637.8251 17406.7393 0.0000 0.0000 34198.0967 -149160.7108 298.6605 -183358.8075 -149063.4969 299.8568 -183.0159 -150.8639 556928.8135 1.0725 1.1847 PRESSURE: 2608800 -212.599 10.9781 -36.6714 10.9771 -323.81 92.624 -36.6709 92.6251 -308.417 GPRESSURE: 2608800 -190.071 61.7309 37.3707 -81.1219 -310.444 76.6829 -19.1473 110.597 -245.111 PRESSAVG: 2608800 -20.9338 10.2872 20.3784 10.2873 -15.061 -31.5406 20.3785 -31.5405 35.5169 GPRESSAVG: 2608800 -19.8596 8.15755 20.2263 11.3033 -15.6145 -32.2576 20.667 -31.8869 34.5586 TIMING: 2608800 CPU: 7775.16, 0.00301474/step Wall: 7775.16, 0.00301475/step, 2.00246 hours remaining, 206.144531 MB of memory in use. ENERGY: 2608800 730.1384 2098.0189 1950.8085 125.2896 -205791.1287 17320.9514 0.0000 0.0000 34201.3511 -149364.5707 298.6889 -183565.9218 -149262.1944 299.4654 -281.6086 -248.5420 558644.4308 -0.1593 -0.3052 PRESSURE: 2609000 163.058 -40.4898 -10.8902 -40.49 -62.5884 -167.458 -10.8901 -167.459 -45.0052 GPRESSURE: 2609000 168.345 -33.8709 -48.1311 -60.0859 -51.142 -173.955 52.8115 -212.372 34.6199 PRESSAVG: 2609000 -2.40053 -31.4634 21.4475 -31.4633 47.799 -5.5835 21.4475 -5.58348 -40.4989 GPRESSAVG: 2609000 -3.34782 -31.5015 17.2761 -31.7868 48.5244 -4.19963 23.1956 -2.88602 -39.7404 TIMING: 2609000 CPU: 7775.77, 0.00302784/step Wall: 7775.77, 0.00302784/step, 2.01099 hours remaining, 206.144531 MB of memory in use. ENERGY: 2609000 747.1917 2133.7064 1969.2501 111.8205 -206584.5529 17974.8327 0.0000 0.0000 34216.5801 -149431.1714 298.8219 -183647.7515 -149334.8115 298.7446 18.4882 50.6078 557942.1992 1.6332 1.8121 PRESSURE: 2609200 56.8749 -36.98 75.1179 -36.979 -57.0938 5.97145 75.1176 5.97175 108.93 GPRESSURE: 2609200 126.155 26.7735 87.5149 -112.147 -34.8971 -47.2997 98.7471 -22.0944 118.027 PRESSAVG: 2609200 46.2963 -4.41617 9.9726 -4.41626 -32.1217 0.671105 9.97271 0.671087 -27.9232 GPRESSAVG: 2609200 45.6854 -4.00294 12.5257 -5.48106 -31.4708 0.769514 7.82072 -2.95085 -28.3479 TIMING: 2609200 CPU: 7776.37, 0.00299457/step Wall: 7776.37, 0.00299457/step, 1.98873 hours remaining, 206.144531 MB of memory in use. ENERGY: 2609200 726.6135 2178.2129 1955.0020 102.1019 -206264.1825 17820.2061 0.0000 0.0000 34258.6166 -149223.4294 299.1890 -183482.0461 -149136.4676 298.8106 36.2372 69.7617 558044.5365 -4.5829 -4.7111 PRESSURE: 2609400 -338.103 -118.723 -75.9786 -118.722 -116.623 -0.370279 -75.9774 -0.371509 -202.951 GPRESSURE: 2609400 -288.701 -125.882 -82.1772 -130.937 -82.855 -0.862741 -63.2994 -39.4968 -186.976 PRESSAVG: 2609400 -13.7915 -28.0425 9.88529 -28.0426 79.0583 16.1009 9.88521 16.1008 -47.1284 GPRESSAVG: 2609400 -14.2172 -28.4329 10.8476 -28.2358 77.7581 15.9981 8.82503 18.5704 -45.2263 TIMING: 2609400 CPU: 7776.97, 0.00301326/step Wall: 7776.97, 0.00301326/step, 2.00097 hours remaining, 206.144531 MB of memory in use. ENERGY: 2609400 750.7445 2152.9090 1932.2203 107.5312 -206133.5833 17615.2667 0.0000 0.0000 34154.8038 -149420.1078 298.2824 -183574.9116 -149327.9171 299.0406 -219.2256 -186.1773 558880.7519 6.0461 6.1048 PRESSURE: 2609600 -249.969 -11.1238 125.15 -11.1229 56.2553 123.577 125.15 123.578 5.86234 GPRESSURE: 2609600 -221.587 -24.2417 175.401 4.7165 73.2564 91.1681 98.5198 98.4502 57.6695 PRESSAVG: 2609600 -23.18 -79.4549 7.51408 -79.4548 23.3022 24.6454 7.51409 24.6454 31.1801 GPRESSAVG: 2609600 -22.0435 -77.4189 7.98879 -78.615 23.9948 24.9487 8.55687 23.6071 29.7425 TIMING: 2609600 CPU: 7777.58, 0.00302266/step Wall: 7777.58, 0.00302266/step, 2.00705 hours remaining, 206.144531 MB of memory in use. ENERGY: 2609600 761.0089 2079.0948 1938.0386 104.3750 -206388.5358 17896.1906 0.0000 0.0000 34019.6748 -149590.1532 297.1023 -183609.8280 -149492.3931 298.4240 -62.6170 -30.2204 557462.6291 10.4341 10.5646 PRESSURE: 2609800 261.369 -178.255 -69.2005 -178.255 221.704 -49.7111 -69.2009 -49.7128 -112.766 GPRESSURE: 2609800 301.013 -143.685 -28.6779 -106.68 208.802 -111.895 -74.1686 9.1484 -43.4804 PRESSAVG: 2609800 74.528 -40.4221 47.7412 -40.4222 74.7695 -40.8845 47.7412 -40.8845 -113.721 GPRESSAVG: 2609800 75.2903 -40.3255 49.3417 -42.5696 74.499 -43.0613 46.9921 -38.3825 -113.892 TIMING: 2609800 CPU: 7778.18, 0.00301109/step Wall: 7778.18, 0.00301109/step, 1.9992 hours remaining, 206.144531 MB of memory in use. ENERGY: 2609800 747.3290 2073.0546 1927.9251 105.0155 -206633.4000 18089.4238 0.0000 0.0000 34196.8329 -149493.8190 298.6494 -183690.6519 -149395.6007 298.4357 123.4355 155.4447 556708.8499 11.8588 11.9657 PRESSURE: 2610000 -224.598 227.4 35.5226 227.399 -42.7516 -57.464 35.5207 -57.4657 -117.586 GPRESSURE: 2610000 -189.26 168.273 81.7515 159.225 -46.2507 -46.4206 49.98 -80.713 -45.5499 PRESSAVG: 2610000 61.9049 -32.0502 -16.2182 -32.0501 85.6436 -24.4615 -16.2183 -24.4615 -87.724 GPRESSAVG: 2610000 61.3478 -32.4312 -19.2105 -29.594 85.8894 -21.9297 -14.6981 -25.4084 -87.3257 TIMING: 2610000 CPU: 7778.78, 0.00300056/step Wall: 7778.78, 0.00300056/step, 1.99204 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: 2610000 760.5659 2114.2484 1925.7375 99.5961 -206406.3391 17755.0879 0.0000 0.0000 34097.6099 -149653.4935 297.7829 -183751.1033 -149554.5855 298.6434 -128.3119 -93.6869 555903.9189 19.9415 19.9705 PRESSURE: 2610200 51.1791 90.8037 -268.804 90.8054 32.479 36.4803 -268.805 36.48 -110.366 GPRESSURE: 2610200 83.1961 -0.639634 -219.52 174.528 38.4098 -38.631 -218.115 18.7255 -42.2537 PRESSAVG: 2610200 -4.00937 -36.7824 -63.6835 -36.7823 68.4011 54.7463 -63.6835 54.7463 -86.1284 GPRESSAVG: 2610200 -2.68059 -37.7249 -62.8694 -38.3054 67.5715 52.4757 -65.3405 53.7172 -86.4397 TIMING: 2610200 CPU: 7779.38, 0.00298909/step Wall: 7779.38, 0.00298909/step, 1.98426 hours remaining, 206.144531 MB of memory in use. ENERGY: 2610200 751.1933 2077.7383 1934.6256 112.3636 -206396.9814 17800.9513 0.0000 0.0000 34197.5204 -149522.5890 298.6555 -183720.1093 -149425.2529 298.8709 -8.9025 26.4507 555829.5048 -7.2456 -7.1829 PRESSURE: 2610400 27.4525 -228.783 16.9766 -228.783 238.822 -182.654 16.9772 -182.654 83.2943 GPRESSURE: 2610400 60.7611 -211.389 -21.5486 -275.986 282.811 -131.387 -6.15368 -203.032 92.0509 PRESSAVG: 2610400 -31.0287 -23.2479 10.5043 -23.2479 18.0188 63.7516 10.5043 63.7515 5.89433 GPRESSAVG: 2610400 -31.6605 -24.1312 11.4648 -23.6786 18.8957 64.5959 11.5232 62.0882 6.06396 TIMING: 2610400 CPU: 7779.97, 0.00298989/step Wall: 7779.97, 0.00298989/step, 1.98462 hours remaining, 206.144531 MB of memory in use. ENERGY: 2610400 753.5287 2082.1049 1953.9325 109.2754 -206705.9311 18048.5000 0.0000 0.0000 34214.7742 -149543.8153 298.8061 -183758.5895 -149450.5958 298.6832 116.5229 145.2077 556432.8754 -2.3719 -2.2336 PRESSURE: 2610600 -66.8763 20.0274 -45.5193 20.0282 -60.5162 84.9206 -45.52 84.9223 -100.856 GPRESSURE: 2610600 -33.5684 18.7129 -12.2017 30.6107 -89.2741 146.751 -66.033 64.7592 -17.6635 PRESSAVG: 2610600 -53.7781 -14.3068 26.9052 -14.3069 29.5824 -18.9136 26.9052 -18.9135 9.25296 GPRESSAVG: 2610600 -54.3319 -16.3082 27.1563 -12.0101 29.5296 -18.374 26.4758 -15.9557 9.78476 TIMING: 2610600 CPU: 7780.57, 0.00299765/step Wall: 7780.57, 0.00299765/step, 1.98961 hours remaining, 206.144531 MB of memory in use. ENERGY: 2610600 785.0890 2143.0923 1934.8654 113.6630 -206298.2076 17785.6131 0.0000 0.0000 34122.6794 -149413.2054 298.0018 -183535.8847 -149318.3764 298.7556 -76.0830 -46.8353 557760.7932 -4.9809 -5.0058 PRESSURE: 2610800 68.5521 43.6858 -67.6685 43.6856 -172.173 -21.0787 -67.669 -21.0794 -70.2905 GPRESSURE: 2610800 103.123 2.73409 -125.571 27.9215 -89.634 -47.0902 -26.0304 -45.8634 -86.6636 PRESSAVG: 2610800 8.5275 -37.7258 8.27937 -37.7257 24.6833 13.1473 8.2794 13.1472 23.4448 GPRESSAVG: 2610800 9.24161 -35.2878 7.03318 -38.2258 24.3559 12.7453 9.26412 10.7851 22.6594 TIMING: 2610800 CPU: 7781.17, 0.00298868/step Wall: 7781.17, 0.00298868/step, 1.98349 hours remaining, 206.144531 MB of memory in use. ENERGY: 2610800 713.7408 2017.3498 1967.0137 107.5722 -205969.4372 17721.6329 0.0000 0.0000 34029.2889 -149412.8389 297.1862 -183442.1278 -149316.1114 298.0570 -57.9706 -24.3915 557610.5319 18.8852 18.7523 PRESSURE: 2611000 166.176 -26.0795 -101.181 -26.0789 84.7534 80.2181 -101.18 80.2192 117.558 GPRESSURE: 2611000 262.239 6.31585 -130.14 -8.96904 86.6551 55.5325 35.3009 82.6567 120.161 PRESSAVG: 2611000 5.98187 -2.96556 -0.591124 -2.9656 8.83496 -72.4206 -0.591231 -72.4207 -39.5484 GPRESSAVG: 2611000 4.30855 -2.4249 -0.40364 -3.33408 8.75412 -71.8535 -0.534723 -71.7502 -37.9855 TIMING: 2611000 CPU: 7781.77, 0.00298465/step Wall: 7781.77, 0.00298465/step, 1.98064 hours remaining, 206.144531 MB of memory in use. ENERGY: 2611000 737.0907 2103.1135 1935.0917 134.1536 -206659.4505 18083.0168 0.0000 0.0000 34358.3507 -149308.6336 300.0600 -183666.9843 -149211.5014 298.7446 122.8291 156.3517 557619.9189 -8.2438 -8.3076 PRESSURE: 2611200 -242.418 -32.1621 -23.6855 -32.1603 -80.8373 53.4362 -23.6862 53.4364 -228.993 GPRESSURE: 2611200 -190.026 -74.0437 -59.7825 60.104 11.4466 73.8376 -112.928 33.1974 -272.528 PRESSAVG: 2611200 20.465 53.7432 -2.17154 53.7433 48.8362 -34.2063 -2.17149 -34.2063 -17.7384 GPRESSAVG: 2611200 20.7352 53.2746 0.152506 53.1582 48.4263 -34.36 -4.44313 -35.245 -17.2557 TIMING: 2611200 CPU: 7782.37, 0.00300968/step Wall: 7782.37, 0.00300968/step, 1.99709 hours remaining, 206.144531 MB of memory in use. ENERGY: 2611200 771.9048 2060.5695 1955.5435 115.7756 -206052.8808 17672.0303 0.0000 0.0000 34325.0717 -149151.9855 299.7694 -183477.0572 -149055.1296 299.1295 -184.0828 -150.3692 559525.4595 17.1876 17.3019 PRESSURE: 2611400 161.724 -167.779 297.352 -167.779 20.9619 59.5342 297.352 59.5329 -65.7465 GPRESSURE: 2611400 188.672 -102.104 315.094 -217.356 62.7245 43.965 316.679 54.501 -47.3809 PRESSAVG: 2611400 -32.8894 49.3888 49.5763 49.3887 62.6896 28.3919 49.5764 28.3919 -8.57194 GPRESSAVG: 2611400 -32.4074 49.9008 48.4977 50.0791 62.7755 26.7391 50.2818 29.8043 -9.37609 TIMING: 2611400 CPU: 7782.97, 0.00300528/step Wall: 7782.97, 0.00300528/step, 1.994 hours remaining, 206.144531 MB of memory in use. ENERGY: 2611400 784.4950 2142.6297 1957.0039 116.7622 -206371.0231 18031.9587 0.0000 0.0000 34346.9968 -148991.1767 299.9609 -183338.1735 -148896.5797 299.2887 38.9798 68.0051 559364.6966 7.0761 6.9974 PRESSURE: 2611600 42.3635 -115.16 -51.1922 -115.16 -73.6188 54.2504 -51.1928 54.2506 2.75304 GPRESSURE: 2611600 -1.49251 -87.8233 -104.535 -17.6424 24.7706 43.0897 36.5556 66.4983 40.9425 PRESSAVG: 2611600 50.2004 -23.8615 6.47319 -23.8613 -35.8442 9.84636 6.47315 9.84628 -7.58765 GPRESSAVG: 2611600 50.3013 -24.6525 4.62862 -21.9732 -35.6494 9.37921 8.51887 10.9378 -8.06629 TIMING: 2611600 CPU: 7783.58, 0.00302279/step Wall: 7783.58, 0.00302279/step, 2.00545 hours remaining, 206.144531 MB of memory in use. ENERGY: 2611600 756.5428 2126.8865 1953.4188 108.6707 -206040.6347 17775.7823 0.0000 0.0000 34280.3376 -149038.9959 299.3787 -183319.3335 -148946.2493 299.8590 -9.5008 21.4069 558746.0499 2.2562 2.1952 PRESSURE: 2611800 -57.9824 111.184 52.2016 111.184 -39.0584 94.6933 52.2021 94.6955 3.73104 GPRESSURE: 2611800 -25.9371 149.207 126.509 106.572 7.81255 94.1615 81.7832 87.9714 37.9361 PRESSAVG: 2611800 27.6847 9.08783 29.7203 9.08785 -39.7733 76.6602 29.7202 76.6603 -9.02179 GPRESSAVG: 2611800 27.5847 11.3536 29.8941 6.1407 -39.8783 76.8619 29.7606 75.9525 -8.7272 TIMING: 2611800 CPU: 7784.18, 0.00301742/step Wall: 7784.18, 0.00301742/step, 2.00172 hours remaining, 206.144531 MB of memory in use. ENERGY: 2611800 724.7668 2144.3762 1906.7293 106.8138 -206471.9418 17852.1158 0.0000 0.0000 34552.7359 -149184.4040 301.7576 -183737.1399 -149081.0746 299.8349 -31.1033 6.6039 558162.1754 -7.0368 -7.0069 PRESSURE: 2612000 33.2813 -203.897 90.9402 -203.897 0.241877 -62.2261 90.9399 -62.2279 -26.1992 GPRESSURE: 2612000 35.3796 -147.333 109.016 -191.516 13.2295 -87.912 79.6143 -13.4562 46.9464 PRESSAVG: 2612000 54.0065 -21.4787 -17.7991 -21.4787 7.5358 84.7721 -17.7992 84.7721 -49.5182 GPRESSAVG: 2612000 54.6729 -20.5892 -17.6076 -22.8862 7.47536 83.4867 -18.3722 84.9307 -50.0586 TIMING: 2612000 CPU: 7784.79, 0.00302867/step Wall: 7784.79, 0.00302867/step, 2.00902 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: 2612000 737.8209 2070.8897 1922.1851 111.0879 -206120.2578 17881.9606 0.0000 0.0000 34201.2829 -149195.0308 298.6883 -183396.3137 -149104.1167 299.7943 2.4413 31.8518 558459.9115 4.0080 4.0299 PRESSURE: 2612200 18.7527 -27.9281 123.957 -27.9279 -359.571 32.0655 123.958 32.0673 -76.1058 GPRESSURE: 2612200 10.4152 -130.773 54.9971 -42.724 -315.397 36.9254 96.2164 149.354 -21.0134 PRESSAVG: 2612200 -7.73394 11.1113 -5.24217 11.1113 3.61573 25.2907 -5.24218 25.2908 8.5421 GPRESSAVG: 2612200 -8.89774 8.96708 -4.10331 13.5783 4.20895 27.1505 -7.19777 26.2912 9.49357 TIMING: 2612200 CPU: 7785.39, 0.00300131/step Wall: 7785.39, 0.00300131/step, 1.9907 hours remaining, 206.144531 MB of memory in use. ENERGY: 2612200 741.8862 2118.6277 1932.5597 111.3560 -205721.6650 17589.4313 0.0000 0.0000 34266.3096 -148961.4945 299.2562 -183227.8041 -148867.0385 299.4785 -138.9749 -108.6652 558980.2404 1.4746 1.6016 LDB: ============= START OF LOAD BALANCING ============== 7788.82 LDB: ============== END OF LOAD BALANCING =============== 7788.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7788.82 LDB: ============= START OF LOAD BALANCING ============== 7789.12 LDB: Largest compute 4821 load 0.026545 is 22.5% of average load 0.118031 LDB: Average compute 0.001732 is 1.5% of average load 0.118031 LDB: TIME 7789.12 LOAD: AVG 0.118031 MAX 0.205009 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 7789.12 LOAD: AVG 0.118031 MAX 0.205009 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: TIME 7789.12 LOAD: AVG 0.118031 MAX 0.205009 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: ============== END OF LOAD BALANCING =============== 7789.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7789.13 PRESSURE: 2612400 211.753 -44.8904 -187.887 -44.8912 -117.575 -43.177 -187.887 -43.1755 268.954 GPRESSURE: 2612400 260.988 -22.0439 -190.415 -45.821 -74.0418 -54.6709 -104.053 -147.432 271.692 PRESSAVG: 2612400 25.8105 -51.0674 17.4731 -51.0674 -25.3971 18.7669 17.4731 18.7668 -1.23974 GPRESSAVG: 2612400 26.2874 -50.3403 17.0183 -52.5895 -25.7845 18.5123 18.7531 16.1961 -0.910277 TIMING: 2612400 CPU: 7786, 0.00306407/step Wall: 7786, 0.00306407/step, 2.03216 hours remaining, 206.199219 MB of memory in use. ENERGY: 2612400 712.7379 2084.7756 1921.8495 106.2004 -205856.9709 17830.8216 0.0000 0.0000 34189.3110 -149011.2750 298.5838 -183200.5860 -148917.3304 300.0798 121.0439 152.8795 558648.2667 -0.2755 -0.1358 PRESSURE: 2612600 -241.175 -114.968 -157.894 -114.969 -95.8032 155.891 -157.896 155.891 -80.2492 GPRESSURE: 2612600 -224.544 -198.742 -120.225 -29.4619 -55.4199 114.164 -155.858 174.072 -47.5268 PRESSAVG: 2612600 37.938 -3.24884 -26.5442 -3.24885 -20.2848 53.3004 -26.5442 53.3004 18.8115 GPRESSAVG: 2612600 38.0818 -2.05243 -26.427 -2.07833 -19.7471 55.5547 -27.4449 52.2829 17.9767 TIMING: 2612600 CPU: 7786.59, 0.0029753/step Wall: 7786.59, 0.0029753/step, 1.97312 hours remaining, 206.199219 MB of memory in use. ENERGY: 2612600 748.2872 2135.0183 1923.8625 112.8604 -205813.2739 17524.8615 0.0000 0.0000 34379.5346 -148988.8493 300.2450 -183368.3839 -148896.9768 300.0285 -139.0759 -109.1636 558377.3290 12.1549 12.1038 PRESSURE: 2612800 30.5974 -29.6789 -11.2204 -29.6792 -147.609 13.7752 -11.2206 13.7758 -160.684 GPRESSURE: 2612800 78.1346 -77.5298 98.2747 -0.279299 -100.505 82.8655 -102.361 34.456 -147.512 PRESSAVG: 2612800 20.8814 26.9934 -28.0749 26.9933 1.68988 -19.4561 -28.0749 -19.4561 -16.1504 GPRESSAVG: 2612800 21.8749 26.593 -27.6318 27.8032 0.819756 -20.9978 -24.7706 -18.7758 -15.3944 TIMING: 2612800 CPU: 7787.19, 0.00296849/step Wall: 7787.19, 0.00296849/step, 1.96844 hours remaining, 206.199219 MB of memory in use. ENERGY: 2612800 758.7363 2148.4416 1924.1224 127.3816 -205835.8106 17619.1338 0.0000 0.0000 34359.3865 -148898.6082 300.0691 -183257.9947 -148804.0800 300.1790 -92.5652 -56.6276 556975.4400 2.1403 2.4334 PRESSURE: 2613000 24.512 75.422 68.3007 75.421 131.776 155.188 68.2992 155.189 -139.974 GPRESSURE: 2613000 106.057 65.4262 77.9995 20.9834 107.572 158.724 27.1425 158.111 -97.4317 PRESSAVG: 2613000 5.86996 -0.0777201 -14.5597 -0.0776043 -26.1518 -3.30402 -14.5597 -3.30409 -7.19925 GPRESSAVG: 2613000 5.59337 0.617537 -15.6789 -0.108842 -26.0871 -1.76296 -16.9769 -2.13813 -6.75523 TIMING: 2613000 CPU: 7787.79, 0.00300362/step Wall: 7787.79, 0.00300362/step, 1.99157 hours remaining, 206.199219 MB of memory in use. ENERGY: 2613000 710.6386 2136.2173 1912.1479 100.8573 -205685.5758 17575.9994 0.0000 0.0000 34279.6160 -148970.0992 299.3724 -183249.7152 -148875.7579 299.6847 5.4382 38.7326 556374.8200 -9.1604 -9.0830 PRESSURE: 2613200 121.721 96.1215 -138.912 96.1212 -132.477 88.7473 -138.911 88.7476 -389.821 GPRESSURE: 2613200 146.519 110.56 -194.773 40.7007 -67.9334 183.686 -66.8834 108.877 -384.828 PRESSAVG: 2613200 55.0551 -24.614 13.267 -24.614 -35.7765 -10.4413 13.2671 -10.4413 -10.6654 GPRESSAVG: 2613200 53.1845 -24.7323 14.7143 -26.249 -34.6125 -9.835 12.3094 -12.2847 -10.1127 TIMING: 2613200 CPU: 7788.39, 0.00300169/step Wall: 7788.39, 0.00300169/step, 1.99012 hours remaining, 206.199219 MB of memory in use. ENERGY: 2613200 746.4744 2111.7163 1927.1301 120.5627 -205883.9714 17606.5606 0.0000 0.0000 34408.6496 -148962.8777 300.4993 -183371.5273 -148865.0198 299.6884 -133.5257 -102.0808 556533.0792 2.8711 2.8198 PRESSURE: 2613400 41.3327 -131.809 111.756 -131.809 255.043 55.8392 111.758 55.8403 -254.58 GPRESSURE: 2613400 55.1292 -204.765 159.941 -103.618 279.368 91.5728 103.941 53.5741 -202.341 PRESSAVG: 2613400 43.9593 9.96823 -34.8051 9.96817 29.3706 9.82287 -34.8052 9.82282 -36.4551 GPRESSAVG: 2613400 45.6424 7.88225 -36.408 15.1647 29.7085 7.26367 -31.3907 12.2071 -38.2877 TIMING: 2613400 CPU: 7788.99, 0.00299835/step Wall: 7788.99, 0.00299835/step, 1.98774 hours remaining, 206.199219 MB of memory in use. ENERGY: 2613400 736.5179 2107.1519 1946.8155 108.5428 -206229.4360 17831.5183 0.0000 0.0000 34365.4562 -149133.4335 300.1221 -183498.8896 -149031.8665 298.9057 13.9318 44.0520 556499.8066 12.2916 12.3544 PRESSURE: 2613600 -269.987 -96.9344 -74.1535 -96.9354 -332.282 -25.8893 -74.1533 -25.8908 -188.544 GPRESSURE: 2613600 -280.155 -126.607 -39.5273 -133.22 -327.908 -40.9002 -111.754 -22.5522 -83.085 PRESSAVG: 2613600 -4.89572 -25.6983 18.0513 -25.6984 1.10621 50.3123 18.0514 50.3122 1.14818 GPRESSAVG: 2613600 -6.53256 -22.4593 20.7598 -31.3228 0.142938 50.8908 14.4459 48.481 3.2584 TIMING: 2613600 CPU: 7789.59, 0.00302326/step Wall: 7789.59, 0.00302326/step, 2.00409 hours remaining, 206.199219 MB of memory in use. ENERGY: 2613600 733.9705 2131.1374 1939.3151 113.1631 -206056.3758 17417.6825 0.0000 0.0000 34343.2465 -149377.8607 299.9281 -183721.1072 -149284.6498 298.6275 -263.6042 -230.3826 557443.0501 -0.8804 -1.0437 PRESSURE: 2613800 -28.7262 55.8352 -126.269 55.8368 10.5522 107.307 -126.267 107.306 17.0117 GPRESSURE: 2613800 -28.4833 3.33777 -105.614 107.377 14.1785 129.403 -68.4377 160.28 101.124 PRESSAVG: 2613800 -44.3946 39.9405 33.4007 39.9405 -39.8481 -5.9612 33.4007 -5.96116 80.5085 GPRESSAVG: 2613800 -43.5262 39.5194 31.7482 40.9173 -39.807 -6.13833 34.6077 -4.25102 79.9065 TIMING: 2613800 CPU: 7790.19, 0.00298836/step Wall: 7790.19, 0.00298836/step, 1.98079 hours remaining, 206.199219 MB of memory in use. ENERGY: 2613800 719.7783 2099.5876 1938.2523 110.7955 -206499.5353 18054.3679 0.0000 0.0000 34104.2326 -149472.5211 297.8407 -183576.7537 -149368.5693 298.8480 -0.3874 28.9396 558766.7463 -1.2447 -1.1422 PRESSURE: 2614000 167.638 -25.6841 -0.423646 -25.6827 141.505 83.1421 -0.423718 83.1442 157.005 GPRESSURE: 2614000 156.319 6.72826 51.3323 4.00543 157.092 89.1247 -31.4469 50.1629 244.824 PRESSAVG: 2614000 48.6046 -41.9565 54.7848 -41.9565 -89.3892 13.1876 54.7848 13.1877 43.4188 GPRESSAVG: 2614000 49.0291 -40.6223 52.6203 -41.7386 -89.1477 12.8378 54.736 11.0784 42.8433 TIMING: 2614000 CPU: 7790.79, 0.00300332/step Wall: 7790.79, 0.00300332/step, 1.99053 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: 2614000 734.6963 2095.1469 1945.9424 99.1650 -206655.6017 18056.6896 0.0000 0.0000 34379.8575 -149344.1040 300.2478 -183723.9615 -149242.0952 298.2601 155.3826 186.0783 558206.4050 0.8781 0.9082 PRESSURE: 2614200 -81.1186 -94.7778 54.0913 -94.7782 79.1775 -35.7347 54.0915 -35.7353 106.486 GPRESSURE: 2614200 -56.22 -82.3279 29.6979 -144.217 156.421 -50.5361 1.03733 -18.4532 101.335 PRESSAVG: 2614200 -15.9783 43.911 39.0491 43.911 8.33639 -35.122 39.0492 -35.1219 10.8975 GPRESSAVG: 2614200 -16.2784 43.8591 41.494 42.2615 7.85664 -34.4526 38.6657 -34.7201 11.6065 TIMING: 2614200 CPU: 7791.39, 0.00300678/step Wall: 7791.39, 0.00300678/step, 1.99266 hours remaining, 206.199219 MB of memory in use. ENERGY: 2614200 749.4780 2121.5675 1917.8083 112.9347 -206564.1719 18081.3292 0.0000 0.0000 34233.0436 -149348.0106 298.9657 -183581.0542 -149246.2214 298.7293 34.8483 67.1787 559301.7856 1.0852 1.0616 PRESSURE: 2614400 -50.3521 31.5681 189.922 31.5674 45.5278 77.6968 189.922 77.6983 -19.3013 GPRESSURE: 2614400 57.5667 33.1736 111.99 101.532 -41.583 61.4262 260.154 45.632 41.7072 PRESSAVG: 2614400 30.2958 0.0115222 -28.1554 0.0114828 -18.4243 -32.8426 -28.1555 -32.8426 26.1343 GPRESSAVG: 2614400 31.1187 -1.13651 -28.7747 1.9478 -18.091 -34.197 -29.1073 -31.6204 25.2285 TIMING: 2614400 CPU: 7791.99, 0.00298491/step Wall: 7791.99, 0.00298491/step, 1.978 hours remaining, 206.199219 MB of memory in use. ENERGY: 2614400 739.9513 2103.0300 1947.0402 98.0046 -205971.8167 17658.5981 0.0000 0.0000 34115.2165 -149309.9759 297.9367 -183425.1925 -149210.3247 298.6037 -8.0419 19.2303 558838.4185 12.6686 12.7520 PRESSURE: 2614600 103.575 34.6042 -308.137 34.604 22.4422 -5.09541 -308.138 -5.0951 202.615 GPRESSURE: 2614600 151.201 74.1683 -286.982 41.7963 46.8678 23.4904 -343.137 -70.6564 230.049 PRESSAVG: 2614600 -7.14919 11.7612 -22.0176 11.7612 7.22082 -23.0814 -22.0178 -23.0814 -30.4242 GPRESSAVG: 2614600 -8.14068 11.5829 -23.0273 12.2002 7.82318 -21.1484 -20.7132 -24.5327 -30.0318 TIMING: 2614600 CPU: 7792.58, 0.00295908/step Wall: 7792.58, 0.00295908/step, 1.96072 hours remaining, 206.199219 MB of memory in use. ENERGY: 2614600 770.4512 2103.5276 1953.4469 119.5883 -206460.6285 18013.7636 0.0000 0.0000 34214.7359 -149285.1148 298.8058 -183499.8508 -149200.5682 298.2691 109.5442 142.7060 558026.0623 -10.1175 -10.1164 PRESSURE: 2614800 65.8172 219.297 -90.1653 219.296 47.8297 -21.6326 -90.1663 -21.6322 -216.296 GPRESSURE: 2614800 130.554 205.205 -85.4301 190.343 102.48 -15.9304 -19.9191 52.4049 -212.433 PRESSAVG: 2614800 52.1025 4.80325 -29.8703 4.80317 -9.14888 -36.6582 -29.8703 -36.6582 -55.3483 GPRESSAVG: 2614800 52.8407 3.35384 -28.6339 5.6654 -8.56345 -36.9021 -31.5376 -33.6768 -56.8549 TIMING: 2614800 CPU: 7793.18, 0.00298626/step Wall: 7793.18, 0.00298626/step, 1.97856 hours remaining, 206.199219 MB of memory in use. ENERGY: 2614800 757.7785 2173.6098 1941.6688 116.7160 -206366.8629 17747.2034 0.0000 0.0000 34261.4816 -149368.4047 299.2140 -183629.8862 -149261.9858 298.2488 -34.2163 6.8668 557291.7933 -4.1316 -4.1925 PRESSURE: 2615000 139.051 28.5884 -53.0455 28.5883 -77.5712 19.8502 -53.0455 19.8487 147.795 GPRESSURE: 2615000 194.534 -8.23285 -76.1183 20.9282 -64.1899 16.4801 -83.2022 -44.4549 180.763 PRESSAVG: 2615000 70.4756 24.6357 -87.2404 24.6356 20.5231 9.65808 -87.2403 9.65795 -33.0273 GPRESSAVG: 2615000 71.092 25.2888 -88.4909 21.8898 20.2382 6.09229 -84.4262 8.43724 -33.527 TIMING: 2615000 CPU: 7793.78, 0.00298582/step Wall: 7793.78, 0.00298582/step, 1.97811 hours remaining, 206.402344 MB of memory in use. ENERGY: 2615000 723.3427 2101.0182 1991.1997 110.0105 -206463.3177 17860.1296 0.0000 0.0000 34122.6864 -149554.9306 298.0019 -183677.6170 -149462.1330 298.8959 69.7583 103.7024 558199.9260 19.3238 19.2677 PRESSURE: 2615200 -193.173 -270.939 38.2399 -270.94 -70.4255 -30.3595 38.2387 -30.361 -64.9517 GPRESSURE: 2615200 -194.481 -291.586 -10.7686 -235.996 13.6952 -87.5156 57.9335 -24.1077 -54.0823 PRESSAVG: 2615200 48.9392 -47.5935 -38.4493 -47.5935 -49.6772 1.4669 -38.4494 1.46676 21.9141 GPRESSAVG: 2615200 48.0397 -47.9602 -37.6006 -44.623 -50.5417 4.54626 -40.1401 1.49066 23.6385 TIMING: 2615200 CPU: 7794.37, 0.00298376/step Wall: 7794.37, 0.00298376/step, 1.97657 hours remaining, 206.402344 MB of memory in use. ENERGY: 2615200 754.3489 2092.9006 1967.8011 109.3443 -206359.7401 17874.6568 0.0000 0.0000 34075.5690 -149485.1195 297.5904 -183560.6884 -149388.0749 298.0408 -109.5166 -78.2895 559067.8633 7.0587 7.0455 PRESSURE: 2615400 -83.8378 -139.652 18.1058 -139.651 -275.789 -26.6573 18.1061 -26.6591 -73.8803 GPRESSURE: 2615400 -47.2505 -148.305 101.454 -84.0295 -220.151 -64.7141 -53.6377 -25.2259 -77.2702 PRESSAVG: 2615400 53.5279 -83.0819 2.19264 -83.0819 -42.2057 -30.7404 2.19269 -30.7404 -55.3296 GPRESSAVG: 2615400 53.7835 -83.7084 1.43306 -82.8159 -42.3478 -30.7733 2.21747 -31.2775 -55.3481 TIMING: 2615400 CPU: 7794.97, 0.00300598/step Wall: 7794.97, 0.00300598/step, 1.99113 hours remaining, 206.402344 MB of memory in use. ENERGY: 2615400 753.1276 2046.8567 1947.5243 117.7986 -206172.6068 17597.1219 0.0000 0.0000 34146.2161 -149563.9615 298.2074 -183710.1776 -149466.9965 298.2356 -144.5023 -114.8905 557706.2220 -14.6691 -14.6375 PRESSURE: 2615600 213.063 -148.939 102.647 -148.939 -40.826 140.498 102.646 140.498 -54.7805 GPRESSURE: 2615600 256.701 -203.383 92.0554 -120.253 7.35855 158.51 8.54621 51.2765 -47.5387 PRESSAVG: 2615600 28.8585 9.97676 -13.3047 9.97674 -1.02151 21.5634 -13.3047 21.5634 -64.4896 GPRESSAVG: 2615600 27.3376 10.8817 -12.9766 8.02641 -0.672597 20.7583 -12.8001 22.4422 -63.6323 TIMING: 2615600 CPU: 7795.57, 0.00299724/step Wall: 7795.57, 0.00299724/step, 1.98517 hours remaining, 206.402344 MB of memory in use. ENERGY: 2615600 756.9079 2143.5791 1938.5986 112.6469 -206493.0932 17971.7753 0.0000 0.0000 34109.4334 -149460.1519 297.8862 -183569.5853 -149369.4018 297.9308 39.1522 72.1738 557377.1699 -12.2175 -12.3225 PRESSURE: 2615800 -68.3241 -162.273 -47.8189 -162.272 -40.7575 71.6957 -47.8181 71.6969 -237.177 GPRESSURE: 2615800 25.665 -157.083 -44.1379 -79.3409 -25.1348 86.7728 -98.0389 23.6343 -224.867 PRESSAVG: 2615800 58.3381 -40.0976 -56.2 -40.0975 11.313 -2.46463 -56.1999 -2.46468 -70.007 GPRESSAVG: 2615800 59.4271 -40.5347 -56.3265 -38.6568 12.5591 -3.32963 -57.1616 -2.17219 -72.6227 TIMING: 2615800 CPU: 7796.17, 0.00301011/step Wall: 7796.17, 0.00301011/step, 1.99353 hours remaining, 206.402344 MB of memory in use. ENERGY: 2615800 755.8630 2070.7167 1916.9753 112.1315 -206090.1116 17766.4553 0.0000 0.0000 33814.6333 -149653.3366 295.3116 -183467.9698 -149556.7745 297.6929 -115.4195 -74.7788 560020.6577 -0.1186 -0.2122 PRESSURE: 2616000 12.4022 -24.3283 130.738 -24.327 -319.632 130.473 130.738 130.474 -156.593 GPRESSURE: 2616000 44.3601 -77.4322 149.097 -45.4176 -286.479 155.719 125.432 195.945 -117.552 PRESSAVG: 2616000 16.8895 -33.384 -42.9027 -33.384 -25.823 32.4417 -42.9026 32.4419 -13.8703 GPRESSAVG: 2616000 16.3601 -32.0052 -42.9367 -33.7453 -27.0934 32.4137 -42.2 33.2495 -12.645 TIMING: 2616000 CPU: 7796.77, 0.00299485/step Wall: 7796.77, 0.00299485/step, 1.98325 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: 2616000 755.2519 2045.9536 1915.1627 121.5000 -206271.4438 17627.4938 0.0000 0.0000 34134.2076 -149671.8743 298.1025 -183806.0818 -149570.1223 297.3680 -154.6074 -119.8904 557213.0371 -7.6012 -7.7928 PRESSURE: 2616200 47.1682 4.68911 23.5533 4.68956 96.2173 -117.222 23.5508 -117.224 168.756 GPRESSURE: 2616200 61.4653 21.0035 -48.0905 12.1946 144.438 -31.0726 53.3967 -212.209 205.985 PRESSAVG: 2616200 30.7219 6.92018 -38.9453 6.92012 24.4298 11.9722 -38.9453 11.9722 19.4015 GPRESSAVG: 2616200 31.7772 6.78164 -39.0785 5.84839 24.0717 12.8452 -39.195 11.6566 18.905 TIMING: 2616200 CPU: 7797.37, 0.00297951/step Wall: 7797.37, 0.00297951/step, 1.97293 hours remaining, 206.402344 MB of memory in use. ENERGY: 2616200 693.4001 2070.6173 1915.7045 120.0955 -206527.3339 17976.7013 0.0000 0.0000 34128.6172 -149622.1980 298.0537 -183750.8152 -149528.7640 298.2986 104.0471 137.2959 556550.8017 24.8511 24.9180 LDB: ============= START OF LOAD BALANCING ============== 7800.8 LDB: ============== END OF LOAD BALANCING =============== 7800.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7800.8 LDB: ============= START OF LOAD BALANCING ============== 7801.1 LDB: Largest compute 4821 load 0.027472 is 23.3% of average load 0.118037 LDB: Average compute 0.001736 is 1.5% of average load 0.118037 LDB: TIME 7801.1 LOAD: AVG 0.118037 MAX 0.202883 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.039 MB LDB: TIME 7801.1 LOAD: AVG 0.118037 MAX 0.202883 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.242 MB LDB: TIME 7801.1 LOAD: AVG 0.118037 MAX 0.202883 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.242 MB LDB: ============== END OF LOAD BALANCING =============== 7801.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7801.11 PRESSURE: 2616400 170.276 -182.404 31.8864 -182.406 -122.777 -72.1497 31.8857 -72.1509 -152.943 GPRESSURE: 2616400 206.557 -110.397 -28.5692 -207.953 -123.633 -97.2121 30.1661 -83.141 -85.7293 PRESSAVG: 2616400 -19.3719 3.54585 -26.743 3.54577 -19.1814 -48.1731 -26.7429 -48.1731 18.0685 GPRESSAVG: 2616400 -21.0274 3.13268 -27.3754 5.22966 -17.9129 -47.8733 -27.6982 -50.3491 19.4866 TIMING: 2616400 CPU: 7797.98, 0.00305849/step Wall: 7797.98, 0.00305849/step, 2.02506 hours remaining, 207.484375 MB of memory in use. ENERGY: 2616400 743.8960 2086.5419 1907.7183 112.7448 -206236.5206 17737.9221 0.0000 0.0000 34292.6812 -149355.0163 299.4865 -183647.6975 -149258.7759 299.0693 -35.1482 -0.9350 556686.0554 -6.8283 -6.4846 PRESSURE: 2616600 -51.7306 -148.945 196.129 -148.946 -175.17 70.7267 196.128 70.7249 -231.872 GPRESSURE: 2616600 -36.9456 -104.073 94.5435 -215.138 -123.957 87.4223 172.594 65.6009 -195.669 PRESSAVG: 2616600 50.0601 7.25178 3.9708 7.25178 -25.544 -3.40467 3.97073 -3.40472 -16.3068 GPRESSAVG: 2616600 51.8235 6.88269 3.79582 5.62867 -26.6487 -4.81701 5.70027 -0.303473 -16.9948 TIMING: 2616600 CPU: 7798.58, 0.0030053/step Wall: 7798.58, 0.0030053/step, 1.98968 hours remaining, 207.484375 MB of memory in use. ENERGY: 2616600 737.6996 2059.5631 1945.2308 114.1344 -206150.5272 17585.5980 0.0000 0.0000 34192.4807 -149515.8206 298.6114 -183708.3013 -149417.7498 299.4552 -152.9244 -118.8572 556574.8362 2.7364 2.7267 PRESSURE: 2616800 -78.6924 -74.6183 -78.0182 -74.6193 71.7289 -0.385875 -78.0191 -0.387612 104.666 GPRESSURE: 2616800 -126.53 -4.3734 -126.158 -89.2802 191.91 18.5124 -51.7539 -34.3663 120.309 PRESSAVG: 2616800 -14.0314 -5.21194 -7.45512 -5.21191 52.2196 22.3809 -7.45514 22.3809 -3.09649 GPRESSAVG: 2616800 -15.1991 -5.09319 -7.03836 -4.61689 52.1844 23.1282 -10.251 21.0886 -1.59203 TIMING: 2616800 CPU: 7799.18, 0.00300879/step Wall: 7799.18, 0.00300879/step, 1.99182 hours remaining, 207.484375 MB of memory in use. ENERGY: 2616800 734.2262 2070.4156 1921.9030 112.1029 -206149.6721 17792.4946 0.0000 0.0000 34140.6362 -149377.8937 298.1587 -183518.5299 -149274.9999 298.3341 32.5676 61.8962 556638.8322 11.6972 11.7977 PRESSURE: 2617000 219.902 -192.324 -99.757 -192.323 207.237 -143.584 -99.7553 -143.585 53.8949 GPRESSURE: 2617000 262.215 -225.247 -218.873 -171.338 263.49 -165.018 -97.9325 -153.227 55.6631 PRESSAVG: 2617000 -36.3768 11.204 -66.648 11.2039 29.3491 20.255 -66.648 20.2551 2.5746 GPRESSAVG: 2617000 -35.5918 11.8621 -66.9128 10.3125 29.3532 22.1554 -63.7598 20.8127 1.5548 TIMING: 2617000 CPU: 7799.78, 0.00299887/step Wall: 7799.78, 0.00299887/step, 1.98509 hours remaining, 207.609375 MB of memory in use. ENERGY: 2617000 729.8767 2089.2901 1920.1647 110.5116 -206603.3236 18057.9338 0.0000 0.0000 34077.7447 -149617.8021 297.6094 -183695.5468 -149521.1094 298.2275 160.3446 193.7895 557230.6180 -1.4844 -1.5613 PRESSURE: 2617200 10.8242 41.0172 23.8882 41.0181 -92.7021 259.908 23.8888 259.907 -29.281 GPRESSURE: 2617200 15.9254 -0.301195 -39.9476 4.41594 -33.5529 274.254 57.6019 288.021 -7.76241 PRESSAVG: 2617200 -44.5605 10.3118 -15.0316 10.3119 31.7731 22.2639 -15.0315 22.264 45.529 GPRESSAVG: 2617200 -44.4452 8.64142 -15.1585 10.7293 32.8588 20.6948 -15.4378 19.3463 44.5809 TIMING: 2617200 CPU: 7800.39, 0.00301459/step Wall: 7800.39, 0.00301459/step, 1.99532 hours remaining, 207.609375 MB of memory in use. ENERGY: 2617200 732.5635 2038.6093 1933.9646 133.0090 -206266.0426 17632.5967 0.0000 0.0000 34149.4505 -149645.8490 298.2356 -183795.2995 -149547.3062 298.7075 -37.0530 -8.4633 556785.9073 10.9138 10.9981 PRESSURE: 2617400 47.8064 -199.89 31.4283 -199.89 85.2659 -54.1547 31.4302 -54.1544 -145.418 GPRESSURE: 2617400 99.6444 -221.666 -20.6746 -277.199 144.032 -100.262 22.9076 -75.4447 -154.098 PRESSAVG: 2617400 9.74684 -33.1616 38.3663 -33.1615 4.63088 58.827 38.3664 58.8271 -38.1171 GPRESSAVG: 2617400 8.73337 -32.8146 37.9775 -32.5087 5.17845 59.7894 37.1784 60.3828 -37.492 TIMING: 2617400 CPU: 7800.99, 0.00303362/step Wall: 7800.99, 0.00303362/step, 2.00775 hours remaining, 207.609375 MB of memory in use. ENERGY: 2617400 723.6946 2100.0419 1919.6664 123.7229 -206674.0539 17881.5045 0.0000 0.0000 34185.8228 -149739.6008 298.5533 -183925.4236 -149643.7627 297.6757 -4.1153 29.8592 557597.6991 -7.9131 -7.8600 PRESSURE: 2617600 -190.835 38.4724 4.54809 38.472 -39.0729 123.922 4.54887 123.923 -286.359 GPRESSURE: 2617600 -148.577 50.3796 13.0559 48.6385 -8.35396 92.1847 65.7347 86.7034 -259.091 PRESSAVG: 2617600 -22.1336 -91.9472 0.959354 -91.9473 3.44069 -23.8762 0.959446 -23.8761 4.21819 GPRESSAVG: 2617600 -20.8815 -89.749 1.39085 -94.9429 2.14316 -24.5241 2.16095 -22.8507 4.40595 TIMING: 2617600 CPU: 7801.6, 0.00303241/step Wall: 7801.6, 0.00303241/step, 2.00678 hours remaining, 207.609375 MB of memory in use. ENERGY: 2617600 745.1061 2098.8535 1928.5989 102.9515 -206412.6680 17622.5312 0.0000 0.0000 34262.5461 -149652.0807 299.2233 -183914.6268 -149558.1415 298.4223 -172.0888 -138.6741 556596.4538 -4.8249 -4.7775 PRESSURE: 2617800 127.534 -38.8583 208.03 -38.8582 102.574 43.7401 208.031 43.7401 -119.294 GPRESSURE: 2617800 198.903 -70.3707 198.104 -30.1759 141.277 -33.4315 177.391 104.806 -128.715 PRESSAVG: 2617800 -20.4163 -27.8893 6.67984 -27.8894 59.0696 -3.31168 6.67984 -3.31166 -61.3143 GPRESSAVG: 2617800 -22.4781 -27.6953 6.92834 -25.3097 60.0153 -3.15928 5.19278 -4.12901 -60.628 TIMING: 2617800 CPU: 7802.2, 0.00300278/step Wall: 7802.2, 0.00300278/step, 1.98701 hours remaining, 207.609375 MB of memory in use. ENERGY: 2617800 752.4665 2077.4995 1932.1829 106.1954 -206662.1938 17959.7998 0.0000 0.0000 34309.7953 -149524.2545 299.6360 -183834.0498 -149426.1000 298.5185 36.9379 70.4884 556761.1407 -7.5537 -7.6969 PRESSURE: 2618000 6.04346 -35.4548 86.6574 -35.4563 -110.127 -83.3926 86.6573 -83.3932 101.103 GPRESSURE: 2618000 86.126 6.6077 150.03 -35.2407 -75.2748 -27.3803 188.906 -111.982 92.4496 PRESSAVG: 2618000 -21.5574 -1.34447 2.19375 -1.34445 -3.72924 -7.3787 2.19373 -7.37859 34.0911 GPRESSAVG: 2618000 -20.5773 -3.29496 1.39826 -0.155488 -4.34299 -7.14009 3.25904 -5.18596 34.312 TIMING: 2618000 CPU: 7802.8, 0.0029937/step Wall: 7802.8, 0.0029937/step, 1.98083 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: 2618000 774.4392 2094.7408 1936.4877 113.4372 -206529.1483 17954.5670 0.0000 0.0000 34258.5919 -149396.8845 299.1888 -183655.4764 -149304.6456 298.4629 -0.9935 34.4336 557710.2703 2.9348 3.1306 PRESSURE: 2618200 -56.6587 28.5638 88.0022 28.5647 176.091 148.443 88.0012 148.445 63.5305 GPRESSURE: 2618200 -5.89192 80.0895 27.0288 10.8857 178.137 142.747 127.297 92.7633 115.965 PRESSAVG: 2618200 42.7188 9.84653 23.1329 9.84646 -1.73766 -40.5604 23.133 -40.5605 -45.3773 GPRESSAVG: 2618200 43.632 8.8406 24.9625 10.2739 -1.52453 -40.582 21.3009 -41.4188 -46.31 TIMING: 2618200 CPU: 7803.41, 0.00303208/step Wall: 7803.41, 0.00303208/step, 2.00606 hours remaining, 207.609375 MB of memory in use. ENERGY: 2618200 745.1237 2061.0823 1961.7917 102.6192 -206427.3772 17829.2637 0.0000 0.0000 34420.4748 -149307.0219 300.6026 -183727.4967 -149211.2103 298.9463 60.9875 96.0701 556815.1620 -1.4654 -1.4009 PRESSURE: 2618400 114.204 123.294 -121.251 123.294 142.621 -70.1701 -121.25 -70.1693 -34.5945 GPRESSURE: 2618400 134.145 78.2281 -155.094 133.272 168.992 -90.7629 -127.692 -84.5948 14.1104 PRESSAVG: 2618400 4.47968 78.6141 -28.5296 78.614 -8.69409 6.07993 -28.5297 6.07998 67.7682 GPRESSAVG: 2618400 4.31601 80.8367 -30.1929 74.2481 -9.53451 4.62161 -24.6233 6.91033 68.1759 TIMING: 2618400 CPU: 7804.01, 0.0030018/step Wall: 7804.01, 0.0030018/step, 1.98586 hours remaining, 207.609375 MB of memory in use. ENERGY: 2618400 766.3060 2059.4212 1949.9395 124.7411 -206241.3708 17821.6324 0.0000 0.0000 34394.7347 -149124.5960 300.3778 -183519.3307 -149030.1230 299.5577 74.0769 105.7492 557260.3707 21.1846 20.9858 PRESSURE: 2618600 -32.842 -121.601 -46.7579 -121.602 -184.706 -1.50878 -46.758 -1.50898 -139.281 GPRESSURE: 2618600 -26.516 -72.0083 27.3125 -97.3674 -122.219 -5.4194 -67.9664 -22.8398 -117.878 PRESSAVG: 2618600 25.748 -6.74863 -16.1992 -6.74859 13.9688 22.0106 -16.1991 22.0107 1.76029 GPRESSAVG: 2618600 24.4919 -6.3052 -13.4201 -4.69571 14.5076 22.5934 -18.1272 23.2804 2.31894 TIMING: 2618600 CPU: 7804.61, 0.00301271/step Wall: 7804.61, 0.00301271/step, 1.99291 hours remaining, 207.609375 MB of memory in use. ENERGY: 2618600 729.2413 2142.4694 1948.6148 117.0790 -205966.8357 17496.4927 0.0000 0.0000 34415.6445 -149117.2941 300.5604 -183532.9386 -149014.9247 299.9281 -118.9432 -88.8712 557255.3568 13.8257 13.7728 PRESSURE: 2618800 -101.137 32.938 -127.143 32.9372 -66.9178 -22.7278 -127.143 -22.7268 -61.1555 GPRESSURE: 2618800 -11.6208 33.468 -74.9205 3.05757 -50.5435 -9.73101 -171.705 36.575 -58.91 PRESSAVG: 2618800 -2.68477 -6.37005 14.6902 -6.37002 -3.48634 -3.51641 14.6903 -3.51644 13.5425 GPRESSAVG: 2618800 -1.35214 -6.47126 14.059 -5.15946 -4.41416 -1.04636 14.9024 -7.12262 12.8816 TIMING: 2618800 CPU: 7805.2, 0.0029807/step Wall: 7805.2, 0.0029807/step, 1.97157 hours remaining, 207.609375 MB of memory in use. ENERGY: 2618800 730.7586 2144.0242 1956.1090 118.9024 -205866.6500 17528.9296 0.0000 0.0000 34224.0860 -149163.8403 298.8875 -183387.9263 -149067.8083 299.9598 -76.4033 -40.3581 557682.0862 2.4571 2.3718 PRESSURE: 2619000 33.501 94.0425 -90.7865 94.0446 129.551 -5.80241 -90.7873 -5.80402 265.454 GPRESSURE: 2619000 29.4218 136.649 38.319 81.6602 195.574 87.9016 -133.395 -135.836 295.394 PRESSAVG: 2619000 -47.2888 53.7334 23.6852 53.7334 -4.129 -32.9945 23.6853 -32.9946 7.32801 GPRESSAVG: 2619000 -46.9722 52.6039 23.3231 53.6175 -3.07024 -33.6507 23.5068 -32.0426 6.07951 TIMING: 2619000 CPU: 7805.8, 0.00297604/step Wall: 7805.8, 0.00297604/step, 1.96832 hours remaining, 207.609375 MB of memory in use. ENERGY: 2619000 733.4407 2135.3788 1950.9989 115.3191 -206468.3432 18081.6682 0.0000 0.0000 34253.1521 -149198.3855 299.1413 -183451.5376 -149102.7682 299.4437 142.8352 173.4633 557443.6008 -14.6966 -14.6543 PRESSURE: 2619200 -61.6594 44.8612 33.6587 44.8605 33.5807 -47.1318 33.6596 -47.1315 -99.8822 GPRESSURE: 2619200 -48.7494 -21.3148 -9.60842 139.488 27.4203 -116.848 -2.31201 -6.12715 -6.16416 PRESSAVG: 2619200 -68.8543 27.2789 58.6809 27.279 29.2561 -66.1429 58.6809 -66.1428 46.6319 GPRESSAVG: 2619200 -70.4686 27.6599 57.8687 26.34 29.4633 -65.4128 58.5234 -67.7089 48.467 TIMING: 2619200 CPU: 7806.39, 0.0029627/step Wall: 7806.39, 0.0029627/step, 1.95933 hours remaining, 207.609375 MB of memory in use. ENERGY: 2619200 766.3607 2153.9089 1918.6477 115.7676 -206190.8306 17880.6933 0.0000 0.0000 34235.4568 -149119.9956 298.9868 -183355.4523 -149029.5998 299.4623 -42.6536 -9.1644 558895.0622 2.3446 2.4872 PRESSURE: 2619400 20.8562 -8.86022 5.58426 -8.85871 217.155 0.563681 5.58469 0.563903 311.937 GPRESSURE: 2619400 75.7005 17.781 -4.61569 -53.4323 219.019 -89.0477 33.1516 31.5132 361.25 PRESSAVG: 2619400 1.05947 49.597 -9.48875 49.5971 -54.9667 -20.5089 -9.48874 -20.5088 23.9122 GPRESSAVG: 2619400 1.62713 51.3297 -9.99131 49.2243 -54.5295 -22.0427 -6.38333 -20.389 23.3375 TIMING: 2619400 CPU: 7806.99, 0.00298525/step Wall: 7806.99, 0.00298525/step, 1.97408 hours remaining, 207.609375 MB of memory in use. ENERGY: 2619400 760.8202 2136.0155 1930.1038 113.3601 -206765.8220 18300.4539 0.0000 0.0000 34358.6209 -149166.4476 300.0624 -183525.0685 -149066.1698 299.6565 183.3160 218.6565 559406.7132 -9.9983 -9.8550 PRESSURE: 2619600 200.282 -171.475 -17.872 -171.474 -372.563 174.064 -17.8728 174.061 100.509 GPRESSURE: 2619600 196.752 -136.253 -3.92631 -158.781 -308.111 171.91 -27.9508 85.0535 145.747 PRESSAVG: 2619600 -7.31849 -19.047 25.0186 -19.0471 -27.4031 47.224 25.0185 47.224 24.899 GPRESSAVG: 2619600 -7.35948 -20.4892 25.6088 -19.5949 -27.4358 48.4346 22.7656 48.9822 24.7033 TIMING: 2619600 CPU: 7807.58, 0.00297115/step Wall: 7807.58, 0.00297115/step, 1.96459 hours remaining, 207.609375 MB of memory in use. ENERGY: 2619600 773.3614 2138.1669 1916.7113 134.1093 -206383.8206 17975.6004 0.0000 0.0000 34295.9595 -149149.9119 299.5151 -183445.8714 -149056.3466 299.0557 -23.9238 11.4629 559479.5373 -3.2742 -3.3640 PRESSURE: 2619800 63.5786 -7.94913 55.0399 -7.9498 -248.66 172.532 55.0415 172.533 120.038 GPRESSURE: 2619800 97.5297 -4.75173 28.6858 6.73313 -217.529 128.04 51.3317 151.418 156.38 PRESSAVG: 2619800 -25.532 -36.8752 1.39952 -36.8752 -79.4617 51.4472 1.39946 51.4471 72.0563 GPRESSAVG: 2619800 -24.9947 -36.3557 2.58152 -35.4421 -80.1607 49.661 0.45584 50.1259 72.4745 TIMING: 2619800 CPU: 7808.18, 0.00296101/step Wall: 7808.18, 0.00296101/step, 1.95772 hours remaining, 207.609375 MB of memory in use. ENERGY: 2619800 751.6550 2088.2141 1925.6420 117.6040 -205902.5023 17862.0638 0.0000 0.0000 34095.9959 -149061.3275 297.7688 -183157.3234 -148961.9371 298.8814 -21.6809 12.1270 561140.9803 -10.9791 -10.8937 PRESSURE: 2620000 26.153 -166.951 -177.501 -166.951 -288.258 -101.405 -177.5 -101.406 13.163 GPRESSURE: 2620000 43.2824 -159.334 -225.974 -207.963 -273.044 -92.557 -92.5995 -60.2489 71.1652 PRESSAVG: 2620000 -14.8944 -16.3459 -51.3586 -16.3459 15.4504 -9.90729 -51.3586 -9.90734 2.28297 GPRESSAVG: 2620000 -14.4397 -17.0422 -54.0289 -16.156 15.0553 -8.27645 -48.5936 -9.97164 2.25257 TIMING: 2620000 CPU: 7808.77, 0.00297646/step Wall: 7808.77, 0.00297646/step, 1.96777 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: 2620000 767.1461 2071.7638 1948.4156 112.9993 -205528.6065 17453.7914 0.0000 0.0000 34027.2784 -149147.2119 297.1687 -183174.4903 -149052.9385 298.7719 -82.9807 -52.8656 559376.6848 0.9463 0.9561 PRESSURE: 2620200 40.0529 -17.7327 -4.4056 -17.7324 178.62 1.12787 -4.40506 1.1297 -75.2503 GPRESSURE: 2620200 83.543 88.5689 -24.3598 -25.9606 151.526 -21.1066 8.86441 -11.7743 6.6194 PRESSAVG: 2620200 36.336 -10.2758 22.3616 -10.2758 -10.4868 10.9134 22.3615 10.9133 -46.2884 GPRESSAVG: 2620200 34.8722 -11.6902 24.1389 -7.86752 -10.0519 10.365 21.8719 11.6287 -44.9656 TIMING: 2620200 CPU: 7809.37, 0.00300705/step Wall: 7809.37, 0.00300705/step, 1.98783 hours remaining, 207.609375 MB of memory in use. ENERGY: 2620200 736.2360 2059.0553 1939.3006 116.2454 -206097.2103 17972.9944 0.0000 0.0000 34355.1434 -148918.2351 300.0320 -183273.3786 -148822.2995 298.9561 47.8076 80.5629 558140.9337 -6.8131 -6.7151 LDB: ============= START OF LOAD BALANCING ============== 7812.8 LDB: ============== END OF LOAD BALANCING =============== 7812.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7812.81 LDB: ============= START OF LOAD BALANCING ============== 7813.1 LDB: Largest compute 4821 load 0.025351 is 21.5% of average load 0.118022 LDB: Average compute 0.001731 is 1.5% of average load 0.118022 LDB: TIME 7813.11 LOAD: AVG 0.118022 MAX 0.20137 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 7813.11 LOAD: AVG 0.118022 MAX 0.20137 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.875 MB LDB: TIME 7813.11 LOAD: AVG 0.118022 MAX 0.20137 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.875 MB LDB: ============== END OF LOAD BALANCING =============== 7813.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7813.11 PRESSURE: 2620400 -219.651 101.762 43.4883 101.762 -108.005 224.191 43.4892 224.189 -128.5 GPRESSURE: 2620400 -197.042 101.493 -1.40862 140.355 -69.6094 230.922 54.5583 153.581 -87.3353 PRESSAVG: 2620400 50.0138 -4.02072 -20.2992 -4.02056 -54.096 7.26894 -20.2992 7.26889 13.1923 GPRESSAVG: 2620400 51.612 -0.186465 -19.6909 -9.3151 -54.8016 6.36196 -20.7545 7.22438 11.8614 TIMING: 2620400 CPU: 7809.98, 0.00304743/step Wall: 7809.98, 0.00304743/step, 2.01435 hours remaining, 206.628906 MB of memory in use. ENERGY: 2620400 780.0505 2065.7318 1941.1054 123.9667 -206044.6202 17640.5173 0.0000 0.0000 34369.0775 -149124.1712 300.1537 -183493.2486 -149040.9335 299.4102 -152.0519 -117.9956 557965.0573 3.0367 2.8906 PRESSURE: 2620600 98.0171 -127.692 -14.5925 -127.693 52.5314 -172.716 -14.5935 -172.716 -99.907 GPRESSURE: 2620600 112.996 -122.323 -36.168 -129.066 111.025 -176.248 14.7845 -134.342 -77.3448 PRESSAVG: 2620600 40.193 -19.1528 8.37213 -19.1528 -17.6247 -15.8405 8.37221 -15.8406 -61.8399 GPRESSAVG: 2620600 39.9195 -19.4335 8.08779 -16.4658 -16.1645 -12.981 7.14834 -16.7064 -63.3243 TIMING: 2620600 CPU: 7810.58, 0.0030003/step Wall: 7810.58, 0.0030003/step, 1.98303 hours remaining, 206.628906 MB of memory in use. ENERGY: 2620600 778.0280 2018.5237 1926.7665 121.8338 -206219.9454 17775.8735 0.0000 0.0000 34286.4420 -149312.4779 299.4320 -183598.9199 -149214.0642 298.9290 16.8805 48.8922 556308.6239 -13.0905 -13.1898 PRESSURE: 2620800 -36.3062 -57.8705 18.7066 -57.8709 -332.164 -41.3992 18.7052 -41.3994 -159.911 GPRESSURE: 2620800 12.0995 -62.1245 -38.6332 -73.3437 -319.137 -76.0424 47.8548 -3.97885 -129.471 PRESSAVG: 2620800 41.2125 -16.0734 28.5762 -16.0734 35.2398 26.1111 28.5762 26.111 -57.4223 GPRESSAVG: 2620800 40.3662 -18.4476 28.7853 -15.5471 33.6283 23.8749 29.8034 28.4576 -55.9427 TIMING: 2620800 CPU: 7811.18, 0.0029752/step Wall: 7811.18, 0.0029752/step, 1.96628 hours remaining, 206.628906 MB of memory in use. ENERGY: 2620800 765.8326 2095.9597 1952.6885 115.4825 -206056.7259 17582.8787 0.0000 0.0000 34035.1468 -149508.7372 297.2374 -183543.8840 -149403.5463 298.2987 -176.1271 -145.5028 558675.4599 6.3433 6.0173 PRESSURE: 2621000 -413.842 227.4 -91.8482 227.4 -293.595 -157.359 -91.8466 -157.36 -127.638 GPRESSURE: 2621000 -335.432 189.329 -184.128 262.842 -293.691 -82.4043 19.7117 -201.209 -118.984 PRESSAVG: 2621000 61.8027 9.67308 48.121 9.6731 -76.5192 31.4066 48.1209 31.4066 26.6832 GPRESSAVG: 2621000 61.4956 11.1324 48.209 8.10125 -76.2557 30.6811 46.1343 29.4995 26.7641 TIMING: 2621000 CPU: 7811.77, 0.00297493/step Wall: 7811.77, 0.00297493/step, 1.96593 hours remaining, 206.628906 MB of memory in use. ENERGY: 2621000 758.2866 2125.3190 1976.4059 111.5426 -206029.1496 17545.7903 0.0000 0.0000 33992.3075 -149519.4978 296.8633 -183511.8052 -149430.6533 297.9160 -278.3582 -249.3689 557928.6400 3.9889 4.0013 PRESSURE: 2621200 -91.2301 -78.5686 -33.8171 -78.5684 -98.6642 -139.677 -33.8153 -139.679 -29.9386 GPRESSURE: 2621200 -75.2387 -26.4959 -35.99 -92.6923 -60.7513 -156.723 -37.1358 -139.727 22.46 PRESSAVG: 2621200 -15.2196 -4.87856 18.9063 -4.87853 -60.9961 -47.315 18.9064 -47.3149 55.7846 GPRESSAVG: 2621200 -14.4523 -1.83312 20.0969 -6.76814 -60.9814 -46.9563 19.402 -45.3722 55.1557 TIMING: 2621200 CPU: 7812.37, 0.00299075/step Wall: 7812.37, 0.00299075/step, 1.97622 hours remaining, 206.628906 MB of memory in use. ENERGY: 2621200 764.6747 2048.5442 1941.9071 103.3824 -206610.8442 17987.1859 0.0000 0.0000 34254.1744 -149510.9756 299.1502 -183765.1500 -149422.8259 298.7195 -73.2776 -37.8433 558461.8288 -6.8104 -6.7593 PRESSURE: 2621400 -7.08471 70.0564 1.09727 70.0554 27.787 -28.1846 1.09892 -28.1848 -47.466 GPRESSURE: 2621400 11.3471 14.5794 6.87958 100.471 107.509 -61.255 -8.90018 -31.9293 -54.9471 PRESSAVG: 2621400 -76.8505 41.9907 -44.7132 41.9908 64.9606 14.3168 -44.7131 14.317 75.9582 GPRESSAVG: 2621400 -76.7106 38.6519 -45.819 44.7308 63.7748 14.9362 -43.3875 13.7379 75.972 TIMING: 2621400 CPU: 7812.96, 0.00295784/step Wall: 7812.96, 0.00295784/step, 1.95431 hours remaining, 206.628906 MB of memory in use. ENERGY: 2621400 757.5389 2104.2248 1939.9465 116.5091 -206362.7791 17940.7366 0.0000 0.0000 34083.2048 -149420.6185 297.6571 -183503.8233 -149327.3069 298.4640 -8.9212 21.3030 559849.6360 21.3561 21.0121 PRESSURE: 2621600 -11.495 -85.9207 223.778 -85.9215 -100.45 50.8715 223.777 50.8712 -64.1638 GPRESSURE: 2621600 11.6621 -56.4701 276.696 -95.7635 -50.0198 92.313 176.068 44.6238 -43.0395 PRESSAVG: 2621600 28.3941 0.612092 34.2117 0.611957 -7.61629 -7.28694 34.2117 -7.28693 -34.9877 GPRESSAVG: 2621600 27.4876 1.01792 33.2567 0.80771 -6.38269 -4.49381 33.6781 -9.54154 -35.4751 TIMING: 2621600 CPU: 7813.55, 0.00295503/step Wall: 7813.55, 0.00295503/step, 1.95229 hours remaining, 206.628906 MB of memory in use. ENERGY: 2621600 725.1910 2119.3599 1942.9936 118.3791 -206479.0658 17801.4403 0.0000 0.0000 34284.2559 -149487.4461 299.4129 -183771.7020 -149386.3873 298.4771 -58.7028 -27.1324 557620.6885 -4.7366 -4.7900 PRESSURE: 2621800 101.926 -17.1566 -15.3578 -17.1566 -11.8475 210.566 -15.3578 210.566 -115.262 GPRESSURE: 2621800 134.473 -66.9248 -29.7989 55.5104 4.61876 154.393 24.8156 236.636 -61.3269 PRESSAVG: 2621800 18.7004 31.9817 8.55436 31.9815 -29.9605 -33.2812 8.55425 -33.2813 8.49042 GPRESSAVG: 2621800 18.5552 31.4241 11.0048 34.344 -29.7702 -36.874 4.62103 -31.0946 8.27454 TIMING: 2621800 CPU: 7814.14, 0.00295678/step Wall: 7814.14, 0.00295678/step, 1.95328 hours remaining, 206.628906 MB of memory in use. ENERGY: 2621800 763.4414 2048.2772 1925.2316 117.7445 -206442.2897 17977.3143 0.0000 0.0000 34251.2112 -149359.0695 299.1243 -183610.2807 -149262.1048 298.7055 -8.3947 25.9215 557095.9124 -0.9232 -0.9802 PRESSURE: 2622000 271.975 -4.11023 -78.5892 -4.11004 164.645 126.761 -78.5897 126.761 36.5843 GPRESSURE: 2622000 285.819 39.1482 -85.0168 -14.2286 233.039 60.7868 -102.031 202.292 50.693 PRESSAVG: 2622000 30.0491 33.0756 -33.0252 33.0757 -29.6752 38.715 -33.0251 38.7151 6.90398 GPRESSAVG: 2622000 28.8228 33.3234 -36.2638 32.1431 -29.1755 38.9266 -29.7628 38.1172 8.00556 TIMING: 2622000 CPU: 7814.74, 0.0029923/step Wall: 7814.74, 0.0029923/step, 1.97658 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: 2622000 704.4057 2127.5245 1916.1412 119.9025 -206691.8838 18035.6139 0.0000 0.0000 34547.1199 -149241.1761 301.7086 -183788.2960 -149148.8225 299.7564 157.7345 189.8504 555847.9505 2.4260 2.5509 PRESSURE: 2622200 -157.345 33.5975 -76.6249 33.5971 -180.516 119.936 -76.6245 119.935 -127.29 GPRESSURE: 2622200 -137.434 85.9163 -111.305 -39.7068 -129.232 166.134 15.4572 142.669 -99.0424 PRESSAVG: 2622200 16.7962 48.6782 -8.99833 48.6782 -46.9047 -26.0642 -8.99829 -26.0644 -13.1104 GPRESSAVG: 2622200 17.778 46.4487 -6.89248 49.1758 -47.6094 -26.5807 -10.8929 -25.8021 -13.3329 TIMING: 2622200 CPU: 7815.33, 0.0029595/step Wall: 7815.33, 0.0029595/step, 1.95475 hours remaining, 206.628906 MB of memory in use. ENERGY: 2622200 734.2324 2168.9473 1933.1848 122.1996 -206665.0680 17868.3681 0.0000 0.0000 34409.5211 -149428.6147 300.5069 -183838.1358 -149329.1959 299.7005 -155.0503 -121.9030 557808.4233 -14.4063 -14.3881 PRESSURE: 2622400 -6.10065 81.657 -13.1762 81.6564 -551.52 -77.8686 -13.1762 -77.8699 85.3045 GPRESSURE: 2622400 54.1018 72.0696 20.636 95.6519 -488.417 -71.6272 14.7174 -25.3572 68.2675 PRESSAVG: 2622400 -14.9476 75.6638 -47.0724 75.6638 16.3825 61.7285 -47.0724 61.7283 4.86073 GPRESSAVG: 2622400 -14.9324 76.5727 -48.226 75.1948 17.3706 62.4865 -44.9867 61.4002 4.43535 TIMING: 2622400 CPU: 7815.93, 0.0029894/step Wall: 7815.93, 0.0029894/step, 1.97433 hours remaining, 206.628906 MB of memory in use. ENERGY: 2622400 729.0977 2158.5595 1951.0289 116.7385 -206090.2380 17586.2422 0.0000 0.0000 34266.1695 -149282.4017 299.2550 -183548.5712 -149185.6679 299.3619 -157.4386 -122.0158 556582.9243 2.0986 2.2912 PRESSURE: 2622600 -60.198 92.1112 7.90721 92.1108 208.283 -58.4601 7.90943 -58.4585 36.1321 GPRESSURE: 2622600 -39.2233 118.62 -45.8894 123.731 218.174 -113.557 -20.4709 -19.7839 110.364 PRESSAVG: 2622600 -22.5487 66.438 -55.5056 66.4381 1.28982 7.86136 -55.5056 7.86134 41.1467 GPRESSAVG: 2622600 -22.0182 68.3682 -54.3828 67.1382 -0.591832 8.83366 -54.0054 8.26501 42.8135 TIMING: 2622600 CPU: 7816.53, 0.00299993/step Wall: 7816.53, 0.00299993/step, 1.98112 hours remaining, 206.628906 MB of memory in use. ENERGY: 2622600 757.9820 2114.8901 1969.8054 118.1520 -206377.2313 17997.7050 0.0000 0.0000 34245.2501 -149173.4466 299.0723 -183418.6967 -149077.2944 299.4467 61.4059 96.4382 557620.8347 6.6293 6.7345 PRESSURE: 2622800 -160.851 78.5488 -46.6594 78.5492 -169.001 23.6801 -46.6603 23.6807 -59.2973 GPRESSURE: 2622800 -131.671 85.4484 -28.615 72.6401 -148.731 -35.4164 2.27684 29.3648 -9.89161 PRESSAVG: 2622800 -34.1 67.5244 45.1518 67.5244 60.5144 22.366 45.1518 22.366 -10.5379 GPRESSAVG: 2622800 -34.7314 66.0964 42.074 66.8183 61.092 24.7367 43.4849 22.4859 -11.024 TIMING: 2622800 CPU: 7817.13, 0.00298727/step Wall: 7817.13, 0.00298727/step, 1.9726 hours remaining, 206.628906 MB of memory in use. ENERGY: 2622800 760.4185 2065.6806 1954.3307 112.1099 -205933.6866 17544.8230 0.0000 0.0000 34373.8491 -149122.4750 300.1954 -183496.3240 -149028.5140 299.4566 -129.7163 -96.7645 557831.0872 5.2922 5.1122 PRESSURE: 2623000 -15.1613 56.9571 74.4557 56.9568 186.252 58.5411 74.4574 58.5413 178.55 GPRESSURE: 2623000 39.0021 89.3342 44.0964 97.6181 177.055 64.0179 93.0927 113.04 235.603 PRESSAVG: 2623000 38.3213 75.7116 65.778 75.7116 -5.16575 72.5613 65.778 72.5614 -16.2382 GPRESSAVG: 2623000 39.3759 77.0364 70.2542 74.771 -4.80648 71.051 64.6252 72.2109 -17.277 TIMING: 2623000 CPU: 7817.73, 0.00298336/step Wall: 7817.73, 0.00298336/step, 1.96985 hours remaining, 206.628906 MB of memory in use. ENERGY: 2623000 738.2045 2081.5829 1937.7534 104.3899 -206311.7959 18046.6614 0.0000 0.0000 34298.2249 -149104.9790 299.5349 -183403.2038 -149005.5565 300.0857 116.5471 150.5534 556076.5887 5.6391 5.7641 PRESSURE: 2623200 129.957 29.7741 -121.789 29.7739 164.055 28.0871 -121.789 28.089 -228.084 GPRESSURE: 2623200 161.755 -9.46728 -86.763 96.5648 152.83 -19.028 -4.65082 104.92 -154.753 PRESSAVG: 2623200 2.99061 -7.19244 -18.5946 -7.19254 71.8287 5.9361 -18.5945 5.93597 -67.9617 GPRESSAVG: 2623200 2.11563 -7.68038 -18.5595 -7.41086 72.5065 6.14605 -19.1799 6.17308 -68.0846 TIMING: 2623200 CPU: 7818.32, 0.00298576/step Wall: 7818.32, 0.00298576/step, 1.97126 hours remaining, 206.628906 MB of memory in use. ENERGY: 2623200 737.5356 2136.7173 1938.3743 116.8648 -206227.7850 17860.9436 0.0000 0.0000 34246.6856 -149190.6638 299.0848 -183437.3494 -149096.0130 300.6673 21.9759 53.2774 556039.3933 2.2858 2.1791 PRESSURE: 2623400 100.626 -136.375 20.001 -136.376 -44.659 -82.6151 20.0012 -82.6161 -173.809 GPRESSURE: 2623400 133.297 -116.956 43.2369 -114.921 -16.0263 29.1343 15.474 -135.888 -128.758 PRESSAVG: 2623400 44.2724 26.0077 4.19265 26.0077 -46.1169 -8.41214 4.19267 -8.41199 -6.81054 GPRESSAVG: 2623400 43.1164 25.171 3.12161 26.5012 -46.4312 -8.13653 5.13766 -9.17878 -5.51509 TIMING: 2623400 CPU: 7818.92, 0.00299796/step Wall: 7818.92, 0.00299796/step, 1.97915 hours remaining, 206.628906 MB of memory in use. ENERGY: 2623400 754.8567 2081.8087 1965.1424 111.8588 -206473.1134 17957.4051 0.0000 0.0000 34301.6089 -149300.4327 299.5645 -183602.0417 -149200.4295 298.9215 -39.2804 -3.8290 557785.1278 -2.8850 -2.9433 PRESSURE: 2623600 -97.7445 -8.38809 118.591 -8.38876 -112.737 -166.247 118.591 -166.245 -59.907 GPRESSURE: 2623600 -91.4913 -23.158 98.2817 -92.6188 -77.4303 -145.96 62.4362 -183.785 3.23154 PRESSAVG: 2623600 -8.92414 -6.9306 -13.9041 -6.93059 18.2716 -43.8705 -13.9041 -43.8705 26.8607 GPRESSAVG: 2623600 -7.89884 -7.42885 -16.605 -6.37338 18.9289 -44.6818 -12.53 -42.4249 25.3001 TIMING: 2623600 CPU: 7819.52, 0.00299208/step Wall: 7819.52, 0.00299208/step, 1.97511 hours remaining, 206.628906 MB of memory in use. ENERGY: 2623600 751.9306 2037.7574 1967.5558 106.6156 -206040.1713 17631.7987 0.0000 0.0000 34137.2844 -149407.2287 298.1294 -183544.5131 -149306.9646 298.8873 -90.1295 -55.2300 556429.4647 12.0694 12.1101 PRESSURE: 2623800 -21.3235 66.0391 -60.7214 66.0388 23.0026 21.5529 -60.7209 21.5528 -37.1861 GPRESSURE: 2623800 10.0618 59.3385 -36.9731 96.3314 112.781 -30.3063 -15.9367 72.8294 -59.6312 PRESSAVG: 2623800 -18.4382 15.6059 40.8913 15.6058 -17.9925 -22.5796 40.8914 -22.5796 28.6936 GPRESSAVG: 2623800 -17.9799 16.6172 44.2285 15.9216 -19.2515 -21.3824 41.3963 -24.5286 30.214 TIMING: 2623800 CPU: 7820.12, 0.00299612/step Wall: 7820.12, 0.00299612/step, 1.97761 hours remaining, 206.628906 MB of memory in use. ENERGY: 2623800 720.6354 2080.7856 1962.1980 113.5327 -206632.0670 18043.5967 0.0000 0.0000 34241.1056 -149470.2130 299.0361 -183711.3186 -149371.4227 299.0381 -11.8357 21.0704 557815.2299 -2.5790 -2.3391 PRESSURE: 2624000 75.7482 -56.1671 60.0261 -56.1654 -116.49 -169.63 60.0265 -169.63 194.136 GPRESSURE: 2624000 129.269 -16.8808 106.957 -81.0931 -45.2178 -141.04 -13.3952 -179.33 166.864 PRESSAVG: 2624000 -6.39824 31.0261 17.8618 31.0261 -19.2237 -43.02 17.8618 -43.0201 36.3704 GPRESSAVG: 2624000 -6.32723 30.903 16.4828 32.0006 -19.2179 -44.4118 17.798 -41.2998 36.6223 TIMING: 2624000 CPU: 7820.72, 0.00299124/step Wall: 7820.72, 0.00299124/step, 1.97422 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: 2624000 724.4580 2019.3179 1932.6674 108.2253 -206889.4136 18182.7412 0.0000 0.0000 34399.4078 -149522.5960 300.4186 -183922.0038 -149422.6451 298.5031 51.1313 83.6383 557385.2719 3.5828 3.6924 PRESSURE: 2624200 -242.583 -101.305 83.2476 -101.304 106.569 137.926 83.2465 137.927 -94.0601 GPRESSURE: 2624200 -195.928 -143.579 71.8404 -76.9332 174.943 35.1089 80.3913 195.731 -108.521 PRESSAVG: 2624200 61.4007 17.2146 28.3828 17.2145 -3.6975 -16.2763 28.3828 -16.2763 -46.2239 GPRESSAVG: 2624200 59.5548 16.6927 28.7762 17.59 -2.13784 -16.114 24.4929 -16.3521 -46.3842 TIMING: 2624200 CPU: 7821.32, 0.00301324/step Wall: 7821.32, 0.00301324/step, 1.98857 hours remaining, 206.628906 MB of memory in use. ENERGY: 2624200 759.2903 2063.2412 1922.4096 113.5183 -206149.4699 17739.6199 0.0000 0.0000 34154.4752 -149396.9155 298.2795 -183551.3907 -149311.3671 298.6804 -76.6913 -43.1689 558485.1650 3.8264 3.6776 LDB: ============= START OF LOAD BALANCING ============== 7824.75 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7824.75 LDB: =============== DONE WITH MIGRATION ================ 7824.75 LDB: ============= START OF LOAD BALANCING ============== 7825.05 LDB: Largest compute 4821 load 0.029322 is 24.8% of average load 0.118027 LDB: Average compute 0.001739 is 1.5% of average load 0.118027 LDB: TIME 7825.06 LOAD: AVG 0.118027 MAX 0.204601 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 7825.06 LOAD: AVG 0.118027 MAX 0.204601 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.57 MB LDB: TIME 7825.06 LOAD: AVG 0.118027 MAX 0.204601 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.57 MB LDB: ============== END OF LOAD BALANCING =============== 7825.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7825.06 PRESSURE: 2624400 51.2735 -56.2281 -50.4666 -56.2289 -56.3684 -18.6934 -50.4671 -18.6941 67.0094 GPRESSURE: 2624400 69.6053 30.9699 -93.0012 -96.6929 -30.9853 22.949 -40.2647 -81.8485 99.7565 PRESSAVG: 2624400 4.74671 -14.4296 -14.766 -14.4296 29.6344 56.818 -14.766 56.818 7.68928 GPRESSAVG: 2624400 6.5799 -15.1031 -15.4583 -15.7639 28.5833 56.619 -11.9425 56.0099 6.6994 TIMING: 2624400 CPU: 7821.93, 0.00305812/step Wall: 7821.93, 0.00305812/step, 2.01802 hours remaining, 205.226562 MB of memory in use. ENERGY: 2624400 731.6011 2102.7358 1961.7995 116.6637 -206550.1589 18028.4655 0.0000 0.0000 34201.3500 -149407.5433 298.6889 -183608.8933 -149302.4456 298.8291 20.6382 46.1255 558483.1500 14.0235 13.9542 PRESSURE: 2624600 -257.569 -13.8317 -18.4502 -13.8331 -163.916 9.35853 -18.4498 9.35794 24.8516 GPRESSURE: 2624600 -195.439 42.9121 20.9105 -70.4344 -152.605 118.828 -78.2667 -28.6804 38.4872 PRESSAVG: 2624600 -30.6377 15.1746 2.68973 15.1746 -15.0108 44.191 2.68978 44.1909 17.9981 GPRESSAVG: 2624600 -31.5675 16.0198 4.50249 15.0459 -16.0103 44.2392 1.57547 44.8255 19.2448 TIMING: 2624600 CPU: 7822.54, 0.00301038/step Wall: 7822.54, 0.00301038/step, 1.98635 hours remaining, 205.226562 MB of memory in use. ENERGY: 2624600 756.5174 2055.7314 1962.1395 111.8803 -206266.0202 17761.6764 0.0000 0.0000 34146.2925 -149471.7826 298.2081 -183618.0751 -149376.2321 298.4036 -132.2112 -103.1857 559026.7674 -9.2168 -9.4443 PRESSURE: 2624800 -200.932 -80.2741 -89.0115 -80.2737 -125.161 79.1973 -89.0105 79.1959 -207.59 GPRESSURE: 2624800 -195.059 -83.8806 -81.6145 -80.6606 -60.8368 37.6129 -128.975 130.939 -182.795 PRESSAVG: 2624800 26.1305 -59.5531 -53.2838 -59.5532 -45.195 61.2695 -53.2836 61.2695 -23.7838 GPRESSAVG: 2624800 25.3582 -59.454 -55.6948 -58.7372 -42.6917 62.9271 -50.1716 60.2839 -25.6903 TIMING: 2624800 CPU: 7823.13, 0.00298743/step Wall: 7823.13, 0.00298743/step, 1.97104 hours remaining, 205.226562 MB of memory in use. ENERGY: 2624800 732.7140 2111.3450 1959.9014 114.2978 -206035.5993 17693.7157 0.0000 0.0000 33927.5605 -149496.0649 296.2978 -183423.6254 -149397.3642 298.1341 -177.8942 -146.2304 557928.2727 -14.2828 -14.3413 PRESSURE: 2625000 215.587 -53.1017 -112.366 -53.1024 132.699 -294.672 -112.365 -294.672 92.9787 GPRESSURE: 2625000 184.363 -161.912 -118.138 -111.541 232.932 -277.881 -157.432 -246.12 131.494 PRESSAVG: 2625000 40.7197 -36.2519 -29.3029 -36.2517 2.61704 -18.5012 -29.3029 -18.5012 -12.5096 GPRESSAVG: 2625000 41.7076 -35.7974 -29.807 -36.0826 0.774169 -18.6751 -30.8107 -20.5299 -10.6111 TIMING: 2625000 CPU: 7823.73, 0.00300459/step Wall: 7823.73, 0.00300459/step, 1.98219 hours remaining, 205.226562 MB of memory in use. ENERGY: 2625000 745.6743 2013.6127 1950.0242 109.6915 -206904.3386 18423.7970 0.0000 0.0000 34059.0295 -149602.5093 297.4460 -183661.5388 -149512.7469 298.5034 147.0884 182.9298 557239.1341 10.2757 10.6236 PRESSURE: 2625200 -213.491 -35.1442 116.341 -35.1425 9.49617 -16.3703 116.341 -16.3701 211.553 GPRESSURE: 2625200 -155.566 6.14373 53.7647 -21.4668 -3.82727 5.57241 164.537 -47.733 279.343 PRESSAVG: 2625200 -2.04735 -33.8674 12.6426 -33.8672 -6.2274 -45.293 12.6426 -45.2929 27.7409 GPRESSAVG: 2625200 -2.94092 -35.3726 14.9299 -34.5766 -5.79823 -48.1747 13.7505 -41.8005 27.1014 TIMING: 2625200 CPU: 7824.34, 0.00300725/step Wall: 7824.34, 0.00300725/step, 1.98378 hours remaining, 205.226562 MB of memory in use. ENERGY: 2625200 763.4578 2095.7472 1927.5676 107.3484 -206545.4261 17853.0695 0.0000 0.0000 34280.3263 -149517.9093 299.3786 -183798.2356 -149431.2564 298.2239 2.5194 39.9833 556785.5333 6.4887 6.1208 PRESSURE: 2625400 -95.5025 115.397 -58.1923 115.397 63.6704 50.122 -58.1927 50.123 -204.68 GPRESSURE: 2625400 -54.3572 111.747 -76.2137 157.148 103.507 82.9669 -33.5958 28.0108 -186.35 PRESSAVG: 2625400 -17.9411 -32.0107 25.7206 -32.0108 -30.4885 -4.3477 25.7206 -4.34767 56.6509 GPRESSAVG: 2625400 -17.5295 -32.114 24.2326 -31.413 -29.9295 -1.95065 24.7963 -3.83257 55.9748 TIMING: 2625400 CPU: 7824.94, 0.00303028/step Wall: 7824.94, 0.00303028/step, 1.99881 hours remaining, 205.226562 MB of memory in use. ENERGY: 2625400 732.8914 2153.2548 1962.5255 118.2716 -206278.6531 17722.9965 0.0000 0.0000 34169.8330 -149418.8802 298.4137 -183588.7132 -149329.4532 299.1956 -78.8375 -45.7334 555811.1628 2.7404 2.8386 PRESSURE: 2625600 4.62518 -17.3787 -17.3645 -17.3781 100.723 5.69072 -17.3639 5.69144 188.96 GPRESSURE: 2625600 52.3263 -26.2132 -40.7626 -6.81139 123.691 46.8723 -69.0602 -46.5635 202.416 PRESSAVG: 2625600 21.0468 -1.5004 10.416 -1.5004 -39.5398 -29.0325 10.4159 -29.0325 -16.5849 GPRESSAVG: 2625600 20.7684 -0.693937 12.3643 -1.55778 -39.752 -29.4592 9.89162 -30.9102 -16.4733 TIMING: 2625600 CPU: 7825.55, 0.00302514/step Wall: 7825.55, 0.00302514/step, 1.99525 hours remaining, 205.226562 MB of memory in use. ENERGY: 2625600 725.1441 2061.8209 1964.7842 109.9755 -206391.7763 17918.3319 0.0000 0.0000 34287.8755 -149323.8441 299.4445 -183611.7196 -149232.0544 299.0224 98.1028 126.1445 555340.0343 -11.6926 -11.8190 PRESSURE: 2625800 -152.046 -28.2325 -127.312 -28.2313 -61.1268 -73.0268 -127.313 -73.0275 125.622 GPRESSURE: 2625800 -159.187 25.3501 -83.7386 -111.573 17.3282 -61.5822 -238.176 -19.2106 152 PRESSAVG: 2625800 35.0204 38.4034 -80.6933 38.4034 -69.7025 -10.3453 -80.6933 -10.3455 6.17401 GPRESSAVG: 2625800 33.8996 37.5284 -84.1073 38.3652 -69.5507 -11.4914 -79.6867 -7.766 7.29744 TIMING: 2625800 CPU: 7826.15, 0.00300977/step Wall: 7826.15, 0.00300977/step, 1.98494 hours remaining, 205.226562 MB of memory in use. ENERGY: 2625800 741.4366 2062.9978 1921.0380 115.9372 -206140.9781 17795.8891 0.0000 0.0000 34231.2482 -149272.4312 298.9500 -183503.6794 -149171.1614 299.3268 -29.1837 3.3806 556575.0540 -9.5027 -9.4512 PRESSURE: 2626000 -65.3125 119.119 65.3765 119.119 -32.7625 157.881 65.3768 157.88 -322.461 GPRESSURE: 2626000 -39.1067 164.041 60.1443 64.0749 -10.6213 160.114 118.985 88.9447 -262.269 PRESSAVG: 2626000 -26.3751 31.6873 -73.5763 31.6872 7.25393 -0.206861 -73.5763 -0.206775 30.4034 GPRESSAVG: 2626000 -26.0589 31.9548 -72.017 31.727 7.53638 -0.38324 -74.226 -1.07978 30.3802 TIMING: 2626000 CPU: 7826.75, 0.00301507/step Wall: 7826.75, 0.00301507/step, 1.98827 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: 2626000 754.3752 2087.5719 1938.7059 110.0324 -206596.3854 17977.8512 0.0000 0.0000 34374.6694 -149353.1794 300.2025 -183727.8488 -149255.0811 298.7552 -140.1788 -103.9989 556580.3347 3.7607 3.9526 PRESSURE: 2626200 65.9858 -57.9579 -46.0538 -57.9581 -134.789 10.6032 -46.0532 10.602 55.5962 GPRESSURE: 2626200 73.1365 -30.7626 -43.1123 -54.6061 -62.9847 -72.983 -12.9375 -18.6261 81.5532 PRESSAVG: 2626200 51.3551 47.9717 -23.4363 47.9717 -71.8274 41.6599 -23.4362 41.6599 23.4862 GPRESSAVG: 2626200 52.3167 49.338 -25.1345 48.2382 -71.7392 43.0454 -21.0435 39.6808 22.0269 TIMING: 2626200 CPU: 7827.35, 0.00297837/step Wall: 7827.35, 0.00297837/step, 1.9639 hours remaining, 205.226562 MB of memory in use. ENERGY: 2626200 735.4046 2030.6939 1934.1098 110.5638 -206007.2898 17738.8118 0.0000 0.0000 34011.0687 -149446.6372 297.0271 -183457.7059 -149352.8364 299.0782 -4.4024 30.5683 557190.0205 1.0046 0.8682 PRESSURE: 2626400 120.937 9.76208 -27.8613 9.76249 -100.163 -16.0177 -27.8614 -16.0175 -53.4256 GPRESSURE: 2626400 167.282 -42.4088 -25.858 84.155 -92.658 -25.5775 -3.05148 -7.12712 -11.9036 PRESSAVG: 2626400 43.4423 -6.98101 -21.4437 -6.98095 -8.53129 54.2856 -21.4437 54.2856 -39.1573 GPRESSAVG: 2626400 42.7916 -6.20015 -18.2452 -8.78151 -9.25714 52.5493 -26.6376 56.416 -37.5719 TIMING: 2626400 CPU: 7827.95, 0.00299751/step Wall: 7827.95, 0.00299752/step, 1.97636 hours remaining, 205.226562 MB of memory in use. ENERGY: 2626400 793.3519 2095.8758 1917.9926 111.1640 -206249.2786 17844.8050 0.0000 0.0000 33871.2155 -149614.8738 295.8057 -183486.0893 -149528.8527 297.8308 -10.8840 20.9067 558129.7498 -1.4154 -1.3458 PRESSURE: 2626600 -293.484 30.4095 -68.3541 30.41 -88.2651 13.6857 -68.3553 13.686 -10.5986 GPRESSURE: 2626600 -216.631 -1.15146 -79.4171 41.4921 -104.117 34.1879 -51.8742 -46.4308 29.5635 PRESSAVG: 2626600 78.4474 49.6192 -32.7116 49.6191 -0.560995 -38.9515 -32.7115 -38.9514 -33.0614 GPRESSAVG: 2626600 78.0659 48.4718 -34.1263 51.8369 -0.279776 -37.7763 -29.8388 -40.3012 -33.2478 TIMING: 2626600 CPU: 7828.55, 0.00303585/step Wall: 7828.55, 0.00303585/step, 2.00147 hours remaining, 205.226562 MB of memory in use. ENERGY: 2626600 743.6286 2057.8331 1938.1416 121.6713 -206063.3496 17582.8174 0.0000 0.0000 34170.4670 -149448.7906 298.4192 -183619.2576 -149355.2335 298.0026 -130.7826 -97.0615 557961.1725 14.9417 14.8461 PRESSURE: 2626800 -78.4224 157.001 -132.016 157.003 -199.598 -77.0186 -132.017 -77.0182 25.1495 GPRESSURE: 2626800 -110.728 190.053 -155.462 105.435 -120.63 -78.9557 -137.906 54.819 86.8939 PRESSAVG: 2626800 21.6818 9.79454 -74.4612 9.7945 -2.80914 15.9329 -74.4612 15.9329 13.9086 GPRESSAVG: 2626800 21.1201 10.7645 -73.4676 6.4133 -3.02389 14.7392 -77.4324 15.6325 14.9826 TIMING: 2626800 CPU: 7829.16, 0.00302135/step Wall: 7829.16, 0.00302135/step, 1.99174 hours remaining, 205.226562 MB of memory in use. ENERGY: 2626800 748.5373 2074.6906 1923.9345 101.5722 -206138.2111 17792.0036 0.0000 0.0000 34166.4817 -149330.9912 298.3844 -183497.4729 -149234.1983 298.5655 -84.2902 -48.1550 557574.1984 10.9271 11.0263 PRESSURE: 2627000 91.233 111.883 -25.0358 111.883 -47.2867 19.2775 -25.0359 19.2784 -261.965 GPRESSURE: 2627000 149.925 191.384 -20.6434 36.4233 -23.978 36.6759 -140.702 73.5682 -251.232 PRESSAVG: 2627000 -19.0342 -21.2965 -41.0804 -21.2966 -9.64076 82.5008 -41.0804 82.5008 9.25937 GPRESSAVG: 2627000 -18.5616 -22.1747 -41.772 -18.0339 -9.25049 83.2292 -38.7663 82.5189 8.4777 TIMING: 2627000 CPU: 7829.76, 0.00302386/step Wall: 7829.76, 0.00302386/step, 1.99323 hours remaining, 205.226562 MB of memory in use. ENERGY: 2627000 748.3214 2106.1801 1930.2623 110.6590 -206151.0025 17648.1304 0.0000 0.0000 34073.2089 -149534.2406 297.5698 -183607.4495 -149442.4502 298.1457 -72.6728 -41.7616 557327.7781 -6.4718 -6.4448 PRESSURE: 2627200 81.3122 10.3257 157.855 10.3261 46.0705 48.6846 157.856 48.6841 10.7971 GPRESSURE: 2627200 174.991 -34.1014 105.004 56.082 51.27 98.6096 144.411 33.5986 3.49813 PRESSAVG: 2627200 27.455 49.9995 12.802 49.9995 -6.83999 0.498768 12.802 0.498914 14.6891 GPRESSAVG: 2627200 27.2342 50.385 13.3466 48.7755 -7.61938 -0.0796212 11.4436 1.25787 15.5964 TIMING: 2627200 CPU: 7830.36, 0.00299529/step Wall: 7830.36, 0.00299529/step, 1.97423 hours remaining, 205.226562 MB of memory in use. ENERGY: 2627200 753.5004 2058.2732 1961.7902 111.6818 -206536.2982 17917.3445 0.0000 0.0000 34145.0833 -149588.6250 298.1975 -183733.7082 -149495.7277 297.8790 46.0600 76.5863 556987.9176 11.7680 11.7371 PRESSURE: 2627400 140.643 -67.665 -128.952 -67.6653 97.4565 -97.9741 -128.952 -97.9751 66.6826 GPRESSURE: 2627400 197.309 -91.0552 -58.2436 -11.6702 96.3777 -67.8726 -92.9553 -141.095 107.556 PRESSAVG: 2627400 20.3101 38.4737 49.4857 38.4738 32.0931 26.1894 49.4857 26.1893 -40.7353 GPRESSAVG: 2627400 21.5523 38.5141 50.3881 36.6105 31.7768 27.1956 51.706 25.2189 -41.3177 TIMING: 2627400 CPU: 7830.97, 0.00302022/step Wall: 7830.97, 0.00302022/step, 1.99049 hours remaining, 205.226562 MB of memory in use. ENERGY: 2627400 726.5543 2085.9786 1964.3013 111.5327 -206794.7313 17991.5812 0.0000 0.0000 34313.1263 -149601.6569 299.6651 -183914.7832 -149507.5195 297.9217 101.5941 133.7476 557384.0332 3.8893 4.0038 PRESSURE: 2627600 99.9319 -13.8249 -6.11068 -13.8254 15.5497 29.5552 -6.10996 29.5534 212.773 GPRESSURE: 2627600 114.396 -25.7107 21.9036 -50.6525 106.487 35.1493 3.13961 61.2787 194.58 PRESSAVG: 2627600 -25.1193 50.564 55.2084 50.564 6.66118 56.1984 55.2083 56.1984 -20.3084 GPRESSAVG: 2627600 -25.5083 51.2963 52.7751 51.2451 7.56915 55.5411 55.2018 58.0683 -20.2045 TIMING: 2627600 CPU: 7831.57, 0.00299909/step Wall: 7831.57, 0.00299909/step, 1.9764 hours remaining, 205.226562 MB of memory in use. ENERGY: 2627600 730.5486 2025.7539 1976.1936 118.9136 -206815.7679 18010.2920 0.0000 0.0000 34177.6882 -149776.3780 298.4823 -183954.0662 -149677.8326 298.1907 109.4181 138.4874 557113.4831 -12.9222 -12.7145 PRESSURE: 2627800 7.99013 -26.9239 -186.916 -26.9252 -255.375 -88.1063 -186.915 -88.1053 -98.5088 GPRESSURE: 2627800 38.7022 -131.485 -246.304 -21.2387 -226.554 -94.5469 -148.627 -39.7441 -65.3235 PRESSAVG: 2627800 32.8767 -22.6962 31.9497 -22.6962 -40.6912 -64.7453 31.9497 -64.7454 -16.1037 GPRESSAVG: 2627800 32.4687 -23.2582 31.4776 -23.0243 -39.8494 -66.1137 33.4177 -63.9992 -16.4456 TIMING: 2627800 CPU: 7832.17, 0.0030143/step Wall: 7832.17, 0.0030143/step, 1.98626 hours remaining, 205.226562 MB of memory in use. ENERGY: 2627800 748.8407 2075.4993 1977.0379 115.6218 -206558.9703 17798.5278 0.0000 0.0000 34160.6681 -149682.7747 298.3336 -183843.4428 -149592.2005 297.7223 -115.2977 -84.3918 558544.7196 -7.9728 -7.9421 PRESSURE: 2628000 134.193 -171.165 33.3794 -171.165 -23.3097 51.087 33.379 51.0878 -37.2779 GPRESSURE: 2628000 149.908 -174.037 70.1276 -85.9864 31.8328 98.0726 -42.4753 30.523 -6.77312 PRESSAVG: 2628000 29.6865 -50.154 59.7619 -50.154 18.9027 -37.9144 59.7619 -37.9146 -46.9135 GPRESSAVG: 2628000 29.4689 -50.1385 62.7344 -47.979 17.4137 -35.8764 57.3749 -40.5415 -45.6803 TIMING: 2628000 CPU: 7832.77, 0.00300178/step Wall: 7832.77, 0.00300178/step, 1.97784 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: 2628000 724.8388 2039.1799 1947.9699 118.0181 -206836.8533 18141.4600 0.0000 0.0000 34166.5166 -149698.8699 298.3847 -183865.3865 -149603.9639 297.2849 24.5350 58.3225 557543.1191 0.5586 0.4007 PRESSURE: 2628200 -7.08309 124.649 -13.301 124.649 3.96876 -222.86 -13.3011 -222.859 198.52 GPRESSURE: 2628200 10.4336 54.0809 -115.773 83.381 34.0705 -158.273 23.3275 -211.953 255.441 PRESSAVG: 2628200 58.3436 -28.188 13.5191 -28.1882 -33.7737 -13.4256 13.519 -13.4256 10.6875 GPRESSAVG: 2628200 59.3935 -29.7481 10.8207 -29.4633 -32.9178 -15.2477 14.4097 -11.366 8.9848 TIMING: 2628200 CPU: 7833.37, 0.00300487/step Wall: 7833.37, 0.00300487/step, 1.97971 hours remaining, 205.226562 MB of memory in use. ENERGY: 2628200 788.6745 2067.9739 1949.2895 129.8015 -206474.1868 17963.2490 0.0000 0.0000 33871.7729 -149703.4255 295.8106 -183575.1984 -149608.3342 297.8324 65.1352 99.9816 555997.7794 11.7524 11.8202 LDB: ============= START OF LOAD BALANCING ============== 7836.8 LDB: ============== END OF LOAD BALANCING =============== 7836.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7836.8 LDB: ============= START OF LOAD BALANCING ============== 7837.11 LDB: Largest compute 4821 load 0.029840 is 25.3% of average load 0.118050 LDB: Average compute 0.001736 is 1.5% of average load 0.118050 LDB: TIME 7837.11 LOAD: AVG 0.11805 MAX 0.206653 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 7837.11 LOAD: AVG 0.11805 MAX 0.206653 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: TIME 7837.11 LOAD: AVG 0.11805 MAX 0.206653 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: ============== END OF LOAD BALANCING =============== 7837.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7837.11 PRESSURE: 2628400 328.518 -84.753 170.908 -84.7539 -176.914 107.119 170.908 107.119 -82.4088 GPRESSURE: 2628400 305.081 -93.4503 138.215 -132.601 -148.778 182.623 217.891 79.2194 5.17531 PRESSAVG: 2628400 5.04671 16.1085 25.2433 16.1086 20.1956 -20.3698 25.2432 -20.3699 -35.4152 GPRESSAVG: 2628400 4.51206 18.7078 25.433 13.1008 18.6317 -21.3221 23.6217 -20.5646 -33.6962 TIMING: 2628400 CPU: 7833.99, 0.00307785/step Wall: 7833.99, 0.00307785/step, 2.02762 hours remaining, 205.226562 MB of memory in use. ENERGY: 2628400 755.8202 2052.8204 1971.4463 118.7870 -206124.9245 17590.3293 0.0000 0.0000 34197.9721 -149437.7492 298.6594 -183635.7213 -149340.1977 297.9444 23.0651 53.8260 555480.7214 -3.3910 -3.5175 PRESSURE: 2628600 27.8207 3.008 83.9119 3.00822 77.0414 -194.008 83.912 -194.007 -288.825 GPRESSURE: 2628600 10.608 10.0537 47.633 -16.363 105.127 -210.787 56.8385 -126.782 -201.352 PRESSAVG: 2628600 27.4986 -13.126 52.833 -13.1259 -33.9388 26.5626 52.8331 26.5627 24.005 GPRESSAVG: 2628600 26.7276 -14.3128 53.2496 -11.006 -33.2895 28.0749 56.1132 27.1577 24.336 TIMING: 2628600 CPU: 7834.59, 0.00302352/step Wall: 7834.59, 0.00302352/step, 1.99166 hours remaining, 205.226562 MB of memory in use. ENERGY: 2628600 737.2363 2104.6873 1943.3642 104.5404 -206213.3335 17654.8676 0.0000 0.0000 34358.6442 -149309.9934 300.0626 -183668.6376 -149218.3220 299.0063 -61.3210 -28.5391 555870.2640 5.8549 5.9247 PRESSURE: 2628800 -130.166 -145.468 -62.566 -145.468 -27.5103 77.6662 -62.5667 77.6664 52.8848 GPRESSURE: 2628800 -69.8569 -98.0104 -44.8572 -141.345 15.503 2.84471 -90.5665 92.2934 46.2209 PRESSAVG: 2628800 -46.1495 -40.4731 -51.5686 -40.4733 47.0163 -28.1334 -51.5686 -28.1333 -6.52865 GPRESSAVG: 2628800 -45.671 -39.3534 -52.6268 -39.862 47.919 -28.2003 -51.8342 -31.001 -7.48516 TIMING: 2628800 CPU: 7835.19, 0.00301725/step Wall: 7835.19, 0.00301725/step, 1.98736 hours remaining, 205.226562 MB of memory in use. ENERGY: 2628800 776.0485 2080.1899 1961.4585 104.0713 -206086.5489 17717.3153 0.0000 0.0000 34231.1706 -149216.2949 298.9493 -183447.4655 -149120.2615 299.1596 -34.9306 -2.7110 556782.9004 -1.8873 -1.7457 PRESSURE: 2629000 206.83 -49.5313 -99.7734 -49.5323 -122.153 -29.703 -99.7733 -29.7013 -137.383 GPRESSURE: 2629000 260.705 -130.326 -48.3946 64.1627 -102.495 14.097 -111.049 30.7176 -113.876 PRESSAVG: 2629000 22.9836 -34.7154 36.8238 -34.7154 -86.6179 74.8955 36.8238 74.8954 13.8694 GPRESSAVG: 2629000 24.345 -37.5156 38.376 -33.0319 -87.0523 74.9618 36.3043 75.8808 12.9219 TIMING: 2629000 CPU: 7835.8, 0.00300807/step Wall: 7835.8, 0.00300807/step, 1.98115 hours remaining, 205.226562 MB of memory in use. ENERGY: 2629000 742.9382 2033.6683 1974.2776 118.9868 -206258.9126 17876.9058 0.0000 0.0000 34254.9037 -149257.2322 299.1566 -183512.1359 -149156.3224 298.7554 -17.5688 14.7780 558083.4487 -16.5883 -16.5952 PRESSURE: 2629200 399.953 161.418 19.4508 161.42 -131.952 125.661 19.4512 125.66 19.9049 GPRESSURE: 2629200 375.004 194.71 60.1394 101.741 -104.67 98.3009 -37.832 205.934 116.201 PRESSAVG: 2629200 32.2938 -5.4186 67.0138 -5.41862 -79.828 54.7635 67.0136 54.7634 68.8429 GPRESSAVG: 2629200 32.2622 -3.22036 66.5595 -7.49625 -81.2455 55.2255 66.8331 54.0917 70.0854 TIMING: 2629200 CPU: 7836.4, 0.00302666/step Wall: 7836.4, 0.00302666/step, 1.99323 hours remaining, 205.226562 MB of memory in use. ENERGY: 2629200 715.4974 2193.5359 1953.4634 123.9814 -206516.6336 17991.5174 0.0000 0.0000 34363.0798 -149175.5584 300.1013 -183538.6382 -149074.5249 299.0849 95.9689 128.8449 557526.3425 7.1029 7.0340 PRESSURE: 2629400 100.867 -145.925 -22.7388 -145.925 265.074 15.6207 -22.7393 15.6188 330.58 GPRESSURE: 2629400 191.555 -99.6041 33.2108 -209.06 239.219 18.842 -79.4132 14.2148 356.135 PRESSAVG: 2629400 79.9204 -2.19681 15.308 -2.19691 4.97375 -64.7304 15.308 -64.7304 -62.867 GPRESSAVG: 2629400 78.9376 -3.16543 16.62 -1.02725 5.77315 -64.4956 15.9628 -66.1477 -63.2398 TIMING: 2629400 CPU: 7837, 0.00299671/step Wall: 7837, 0.00299671/step, 1.97333 hours remaining, 205.226562 MB of memory in use. ENERGY: 2629400 728.7958 2049.0734 1946.0653 113.9363 -206575.9440 18011.2709 0.0000 0.0000 34369.4804 -149357.3220 300.1572 -183726.8024 -149258.9259 299.2163 232.1740 262.3030 556378.3522 7.3424 7.1570 PRESSURE: 2629600 -14.1583 136.111 -182.773 136.11 -147.137 -30.4037 -182.773 -30.4038 131.91 GPRESSURE: 2629600 43.3037 119.869 -100.521 120.236 -127.939 -76.3288 -161.49 18.3591 150.13 PRESSAVG: 2629600 42.8681 -9.34058 3.3053 -9.34055 -93.2421 -53.6705 3.30531 -53.6705 14.4811 GPRESSAVG: 2629600 43.8793 -9.97933 4.63454 -10.728 -93.226 -54.1843 1.00837 -52.3725 13.4926 TIMING: 2629600 CPU: 7837.6, 0.00300626/step Wall: 7837.6, 0.00300626/step, 1.97946 hours remaining, 205.226562 MB of memory in use. ENERGY: 2629600 728.0226 2077.4361 1965.1366 114.0164 -206140.3453 17663.8621 0.0000 0.0000 34143.2841 -149448.5874 298.1818 -183591.8716 -149361.2188 298.2523 -9.7950 21.8315 557585.0945 -11.9643 -11.9514 PRESSURE: 2629800 -10.6235 -6.85635 105.165 -6.85626 -370.976 32.4476 105.166 32.4476 -152.152 GPRESSURE: 2629800 -28.7709 -22.2801 45.7226 -36.1667 -257.487 13.5997 50.2279 0.567627 -160.135 PRESSAVG: 2629800 -30.112 37.2661 47.4274 37.266 -41.0602 -52.7307 47.4275 -52.7308 20.9194 GPRESSAVG: 2629800 -30.7458 37.2166 45.9107 36.6355 -40.7637 -53.7023 49.2095 -52.8585 21.6836 TIMING: 2629800 CPU: 7838.2, 0.00300619/step Wall: 7838.2, 0.00300619/step, 1.97924 hours remaining, 205.226562 MB of memory in use. ENERGY: 2629800 775.6492 2098.3059 1943.3128 102.0573 -206028.1386 17506.3274 0.0000 0.0000 34183.1495 -149419.3365 298.5299 -183602.4861 -149329.2998 298.0905 -177.9170 -148.7976 559061.7540 -16.7509 -16.6086 PRESSURE: 2630000 -102.279 -58.0346 -250.359 -58.0347 -79.1801 -30.3424 -250.358 -30.3422 -409.309 GPRESSURE: 2630000 -61.7011 -30.6394 -240.874 -40.4407 -40.6118 -60.6264 -217.472 22.8025 -392.982 PRESSAVG: 2630000 50.1299 -38.8359 9.26934 -38.8359 19.3859 1.701 9.26942 1.70105 -39.1124 GPRESSAVG: 2630000 49.3641 -38.0675 9.25706 -37.6037 20.5293 1.48132 9.32385 2.81003 -38.432 TIMING: 2630000 CPU: 7838.81, 0.00302171/step Wall: 7838.81, 0.00302171/step, 1.98929 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: 2630000 749.3867 2060.3908 1945.0077 112.7495 -205774.2375 17541.6324 0.0000 0.0000 34052.0200 -149313.0504 297.3848 -183365.0704 -149215.7340 298.2742 -196.9226 -165.0983 559092.3692 10.1345 10.4871 PRESSURE: 2630200 -100.604 -28.205 -53.022 -28.2047 -129.562 -3.61997 -53.0235 -3.62026 234.538 GPRESSURE: 2630200 -68.7525 -21.4788 -179.694 -24.9022 -86.1096 16.0212 49.9965 -5.87174 270.61 PRESSAVG: 2630200 -1.17134 -48.6885 13.6109 -48.6885 -51.8116 -16.5382 13.6109 -16.5382 15.4858 GPRESSAVG: 2630200 0.0417829 -48.6248 10.8037 -48.7158 -51.8418 -16.5227 14.8032 -18.2352 14.5919 TIMING: 2630200 CPU: 7839.41, 0.00300022/step Wall: 7839.41, 0.00300022/step, 1.97498 hours remaining, 205.226562 MB of memory in use. ENERGY: 2630200 770.0554 2050.4177 1925.3611 110.2905 -206405.7136 17833.9279 0.0000 0.0000 34439.1467 -149276.5143 300.7656 -183715.6610 -149176.9668 299.1671 1.4575 38.5825 556667.4194 -12.4991 -12.4027 PRESSURE: 2630400 -251.543 -131.042 92.5823 -131.041 -392.61 7.54653 92.582 7.54712 -127.091 GPRESSURE: 2630400 -265.313 -110.051 11.613 -114.389 -331.421 -3.12636 137.639 12.9137 -82.8349 PRESSAVG: 2630400 2.06331 31.4436 23.0702 31.4435 -68.683 26.1842 23.0701 26.1843 79.6867 GPRESSAVG: 2630400 1.68088 32.7018 25.598 30.138 -68.6819 26.4598 20.4067 27.9863 80.1223 TIMING: 2630400 CPU: 7840.01, 0.00300954/step Wall: 7840.01, 0.00300954/step, 1.98094 hours remaining, 205.226562 MB of memory in use. ENERGY: 2630400 767.7315 2111.8267 1919.6551 111.8900 -205677.3864 17423.0612 0.0000 0.0000 34059.2437 -149283.9783 297.4478 -183343.2220 -149182.4788 298.8892 -257.0812 -226.5230 559404.4660 4.3557 4.3738 PRESSURE: 2630600 -280.044 -101.03 84.1241 -101.03 -107.044 20.8374 84.1238 20.8398 -183.05 GPRESSURE: 2630600 -226.247 -121.469 96.1289 -117.285 -106.905 19.8964 -4.42418 72.7509 -145.043 PRESSAVG: 2630600 24.2056 52.9018 -3.46947 52.9017 -17.1893 -16.4383 -3.46952 -16.4383 26.1994 GPRESSAVG: 2630600 24.5828 50.2079 -3.45717 54.3609 -17.6998 -16.7692 -3.09805 -17.7195 26.2754 TIMING: 2630600 CPU: 7840.61, 0.00302269/step Wall: 7840.61, 0.00302269/step, 1.98943 hours remaining, 205.226562 MB of memory in use. ENERGY: 2630600 803.3441 2137.9374 1938.3474 109.2900 -206079.4868 17553.8295 0.0000 0.0000 34150.3837 -149386.3546 298.2438 -183536.7383 -149297.7414 298.8630 -190.0461 -159.3983 557813.1370 11.0719 11.0528 PRESSURE: 2630800 -160.527 -227.593 -47.9839 -227.592 -265.311 -55.511 -47.9848 -55.5116 -169.595 GPRESSURE: 2630800 -142.149 -105.192 -58.2725 -273.864 -240.898 -66.1357 -31.7024 -23.536 -138.788 PRESSAVG: 2630800 26.242 -10.2738 -38.9107 -10.2738 38.692 22.8494 -38.9107 22.8495 14.7407 GPRESSAVG: 2630800 26.564 -7.93783 -39.3213 -11.1861 39.4253 23.7774 -39.2317 22.6148 13.5032 TIMING: 2630800 CPU: 7841.22, 0.00304841/step Wall: 7841.22, 0.00304841/step, 2.00619 hours remaining, 205.226562 MB of memory in use. ENERGY: 2630800 763.6571 2133.5242 1967.1208 112.5301 -206477.2954 17651.5740 0.0000 0.0000 34409.2378 -149439.6515 300.5044 -183848.8893 -149335.8636 298.9961 -198.4776 -173.9450 558549.8049 26.5582 26.4975 PRESSURE: 2631000 68.1393 120.09 208.44 120.09 -163.776 27.4375 208.44 27.4381 -68.6234 GPRESSURE: 2631000 96.167 75.0993 239.98 96.1496 -76.2363 39.0046 212.208 -43.3624 -83.2142 PRESSAVG: 2631000 -6.39613 12.6454 17.2363 12.6455 -60.0869 16.277 17.2364 16.2769 48.6337 GPRESSAVG: 2631000 -7.45466 10.4559 18.9795 14.2008 -60.7985 18.0895 18.5382 14.6052 50.0375 TIMING: 2631000 CPU: 7841.83, 0.00305827/step Wall: 7841.83, 0.00305827/step, 2.01251 hours remaining, 205.226562 MB of memory in use. ENERGY: 2631000 754.5732 2097.0114 1927.8708 121.5285 -206271.2275 17802.2555 0.0000 0.0000 34164.6357 -149403.3524 298.3683 -183567.9882 -149305.0091 298.3787 -54.7532 -21.0945 557603.8409 -5.9498 -6.0719 PRESSURE: 2631200 102.271 14.4703 47.2106 14.4709 119.306 38.0146 47.2114 38.0145 -19.003 GPRESSURE: 2631200 180.817 50.1966 49.0075 -30.2238 126.741 27.557 70.6797 3.5923 15.7488 PRESSAVG: 2631200 -9.67422 19.7049 -15.3991 19.7049 4.80218 10.9808 -15.3991 10.9808 25.7174 GPRESSAVG: 2631200 -8.01785 19.8511 -18.3067 19.6947 4.03345 8.48426 -15.13 12.7048 25.4435 TIMING: 2631200 CPU: 7842.44, 0.00304387/step Wall: 7842.44, 0.00304387/step, 2.00287 hours remaining, 205.226562 MB of memory in use. ENERGY: 2631200 751.8536 2125.7232 1925.9457 112.2879 -206396.8380 17918.1097 0.0000 0.0000 34199.7201 -149363.1978 298.6747 -183562.9178 -149271.2577 297.7590 67.5246 107.7690 557378.1138 6.9484 7.1530 PRESSURE: 2631400 -153.021 9.51797 -125.473 9.51745 -260.421 -34.0268 -125.472 -34.0244 -238.622 GPRESSURE: 2631400 -120.399 16.7931 -16.592 8.0417 -217.686 41.8536 -204.869 -90.193 -215.826 PRESSAVG: 2631400 -29.8142 -14.5916 -44.211 -14.5916 70.7607 44.3208 -44.211 44.3208 -2.98202 GPRESSAVG: 2631400 -31.429 -15.2307 -42.8742 -12.1557 71.1908 43.4198 -45.0939 42.9742 -2.22746 TIMING: 2631400 CPU: 7843.05, 0.00302576/step Wall: 7843.05, 0.00302576/step, 1.99078 hours remaining, 205.226562 MB of memory in use. ENERGY: 2631400 747.0421 2089.7654 1939.1340 115.3954 -205954.1340 17570.3811 0.0000 0.0000 34236.0828 -149256.3331 298.9922 -183492.4158 -149160.7262 298.8133 -217.3548 -184.6371 559453.9336 12.6548 12.5114 PRESSURE: 2631600 30.6831 48.8618 50.6179 48.8637 -133.857 -44.5198 50.6176 -44.5211 -168.886 GPRESSURE: 2631600 116.606 148.237 -33.6094 32.4067 -107.498 -57.5453 -24.1545 62.0015 -187.299 PRESSAVG: 2631600 -41.1809 24.6505 -89.5715 24.6505 45.1438 6.44134 -89.5716 6.44135 -42.3914 GPRESSAVG: 2631600 -39.4451 25.8574 -89.2309 21.855 44.7997 5.52664 -89.0993 9.68107 -44.5071 TIMING: 2631600 CPU: 7843.65, 0.00300495/step Wall: 7843.65, 0.00300495/step, 1.97692 hours remaining, 205.226562 MB of memory in use. ENERGY: 2631600 748.2104 2048.5264 1914.4748 101.3662 -206062.9779 17735.4155 0.0000 0.0000 34230.6939 -149284.2907 298.9452 -183514.9846 -149197.5408 298.8792 -90.6865 -59.3968 558767.8099 -12.8095 -13.0508 PRESSURE: 2631800 12.2887 -39.2468 -76.1953 -39.2483 153.372 34.9724 -76.1958 34.9721 -28.5949 GPRESSURE: 2631800 82.0297 -13.7729 -55.9512 -16.4783 186.512 -83.9799 -110.693 -68.2553 -25.8013 PRESSAVG: 2631800 -12.5132 -23.8687 -29.8652 -23.8687 -9.7985 -56.1401 -29.8651 -56.14 35.222 GPRESSAVG: 2631800 -13.5359 -24.5615 -27.6891 -23.6704 -10.4742 -55.9278 -30.5962 -57.345 36.4824 TIMING: 2631800 CPU: 7844.25, 0.00300769/step Wall: 7844.25, 0.00300769/step, 1.97856 hours remaining, 205.226562 MB of memory in use. ENERGY: 2631800 751.4191 2056.7716 1950.4183 111.1624 -206263.5887 17928.5646 0.0000 0.0000 34291.6334 -149173.6193 299.4774 -183465.2528 -149062.8682 299.2008 45.6886 80.9134 557498.8904 4.3034 4.1574 PRESSURE: 2632000 -238.517 -65.8809 89.1103 -65.8802 -35.6102 34.8479 89.1095 34.8487 120.107 GPRESSURE: 2632000 -144.859 -48.3439 52.0086 -139.071 19.2455 45.9368 75.2845 69.2311 82.3576 PRESSAVG: 2632000 -80.2515 -36.6694 -26.9214 -36.6693 17.2508 -18.796 -26.9216 -18.7961 35.2498 GPRESSAVG: 2632000 -80.5919 -35.001 -28.0472 -36.9385 17.6909 -19.4599 -26.3971 -18.1345 34.7959 TIMING: 2632000 CPU: 7844.85, 0.00300376/step Wall: 7844.85, 0.00300376/step, 1.97581 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: 2632000 800.8426 2089.2914 1943.2843 106.2220 -206304.3902 17956.1515 0.0000 0.0000 34252.9993 -149155.5992 299.1400 -183408.5985 -149055.3677 299.6835 -51.3401 -14.4187 558036.1229 -9.2503 -9.3683 PRESSURE: 2632200 51.1427 -134.664 -134.564 -134.665 -37.7118 99.0411 -134.565 99.0399 218.735 GPRESSURE: 2632200 86.7107 -70.4291 -131.066 -171.966 57.018 144.168 -113.729 2.9374 186.986 PRESSAVG: 2632200 1.49157 -18.3106 -1.3162 -18.3105 -16.7946 -9.64374 -1.31632 -9.64366 -8.67153 GPRESSAVG: 2632200 2.2685 -17.1035 -1.54629 -17.8856 -18.164 -7.44003 -0.966696 -11.4933 -8.10026 TIMING: 2632200 CPU: 7845.45, 0.00297215/step Wall: 7845.45, 0.00297215/step, 1.95485 hours remaining, 205.226562 MB of memory in use. ENERGY: 2632200 753.0509 2134.5615 1943.2643 98.9163 -206199.1870 17964.0217 0.0000 0.0000 34060.7905 -149244.5820 297.4614 -183305.3724 -149151.9838 299.6386 77.3885 110.2381 556216.2054 -7.9915 -7.9986 LDB: ============= START OF LOAD BALANCING ============== 7848.87 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7848.87 LDB: =============== DONE WITH MIGRATION ================ 7848.88 LDB: ============= START OF LOAD BALANCING ============== 7849.17 LDB: Largest compute 4821 load 0.029190 is 24.7% of average load 0.118064 LDB: Average compute 0.001731 is 1.5% of average load 0.118064 LDB: TIME 7849.18 LOAD: AVG 0.118064 MAX 0.20185 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 7849.18 LOAD: AVG 0.118064 MAX 0.20185 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.062 MB LDB: TIME 7849.18 LOAD: AVG 0.118064 MAX 0.20185 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.062 MB LDB: ============== END OF LOAD BALANCING =============== 7849.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7849.18 PRESSURE: 2632400 130.767 113.658 46.3397 113.658 -143.461 -89.3242 46.3407 -89.3243 -22.219 GPRESSURE: 2632400 132.882 164.043 105.742 53.1496 -61.6766 -116.74 -42.9117 -45.7728 -7.90188 PRESSAVG: 2632400 10.0717 -18.1149 7.02118 -18.1148 30.3936 -22.6922 7.02121 -22.6922 -8.61628 GPRESSAVG: 2632400 9.6238 -18.2547 6.30262 -19.1805 32.5731 -22.7184 5.11982 -22.4281 -10.0607 TIMING: 2632400 CPU: 7846.05, 0.00303689/step Wall: 7846.05, 0.00303689/step, 1.99726 hours remaining, 205.941406 MB of memory in use. ENERGY: 2632400 740.6741 2027.1533 1940.9949 113.2404 -205900.8279 17570.7443 0.0000 0.0000 34235.3153 -149272.7057 298.9855 -183508.0209 -149173.8801 299.1235 -11.6378 21.1013 556856.1781 10.6163 10.7120 PRESSURE: 2632600 114.416 -95.4149 -71.0462 -95.4148 50.4276 95.1804 -71.0453 95.1799 88.5082 GPRESSURE: 2632600 138.728 -85.6844 60.6677 -126.074 100.622 75.1598 -85.1741 51.3835 120.936 PRESSAVG: 2632600 -11.0546 30.7306 -10.8948 30.7307 -2.21835 -86.4288 -10.8948 -86.4288 10.5275 GPRESSAVG: 2632600 -11.3619 28.8065 -11.1239 29.9678 -2.48287 -85.9455 -8.41555 -86.7115 11.8524 TIMING: 2632600 CPU: 7846.65, 0.00297948/step Wall: 7846.65, 0.00297948/step, 1.95934 hours remaining, 205.941406 MB of memory in use. ENERGY: 2632600 727.1470 2040.8127 1943.6766 112.8626 -206139.5409 17806.3344 0.0000 0.0000 34284.1286 -149224.5789 299.4118 -183508.7075 -149128.7835 299.3103 84.4505 120.0956 557335.1115 -0.9151 -0.6641 PRESSURE: 2632800 48.5899 80.742 -172.568 80.7421 357.608 64.7492 -172.568 64.7506 379.275 GPRESSURE: 2632800 104.791 83.6236 -123.68 136.975 417.08 78.8209 -194.208 34.0566 364.618 PRESSAVG: 2632800 30.6449 44.7269 -32.4163 44.7269 -24.2845 30.0138 -32.4163 30.0138 -11.0835 GPRESSAVG: 2632800 29.7076 45.4541 -32.2472 44.3463 -24.7018 28.6384 -32.385 30.6685 -9.88119 TIMING: 2632800 CPU: 7847.25, 0.00300434/step Wall: 7847.25, 0.00300434/step, 1.97552 hours remaining, 205.941406 MB of memory in use. ENERGY: 2632800 717.0673 2045.8920 1944.7268 115.5737 -206705.5229 18320.8345 0.0000 0.0000 34341.2322 -149220.1965 299.9105 -183561.4287 -149128.5380 299.6018 261.8243 295.4962 556978.6938 -1.5744 -1.6251 PRESSURE: 2633000 -87.575 130.049 33.4171 130.05 -158.348 22.7293 33.4166 22.7281 -133.681 GPRESSURE: 2633000 -56.8578 111.147 -14.0188 55.2762 -102.414 21.6213 191.059 24.9134 -125.118 PRESSAVG: 2633000 18.4089 47.4502 62.0335 47.4501 18.9341 16.511 62.0336 16.5108 30.4289 GPRESSAVG: 2633000 18.7155 46.6351 60.6695 47.5222 19.9348 16.285 62.0847 16.0678 29.0234 TIMING: 2633000 CPU: 7847.85, 0.00300247/step Wall: 7847.85, 0.00300247/step, 1.97412 hours remaining, 205.941406 MB of memory in use. ENERGY: 2633000 730.3185 2074.8365 1927.2940 105.2402 -205841.3678 17548.1245 0.0000 0.0000 34243.1270 -149212.4272 299.0537 -183455.5542 -149113.3759 298.8684 -126.5345 -94.7965 558217.8922 22.5907 22.5579 PRESSURE: 2633200 -393.237 64.8565 28.1802 64.8565 -75.1705 -42.6461 28.1811 -42.6452 -382.662 GPRESSURE: 2633200 -376.474 92.0443 22.0418 66.4904 -70.468 43.971 -32.8604 -11.7161 -307.878 PRESSAVG: 2633200 -43.3834 32.4552 -7.52596 32.4554 70.3147 -42.2954 -7.52588 -42.2953 6.67745 GPRESSAVG: 2633200 -42.6508 31.166 -5.55788 33.3998 69.3239 -43.4289 -8.69741 -42.0843 6.23212 TIMING: 2633200 CPU: 7848.45, 0.00299575/step Wall: 7848.45, 0.00299575/step, 1.96954 hours remaining, 206.023438 MB of memory in use. ENERGY: 2633200 792.2395 2087.3124 1965.4433 100.3682 -205743.0176 17570.0182 0.0000 0.0000 34196.7473 -149030.8887 298.6487 -183227.6360 -148933.6943 299.5607 -283.6900 -251.6066 560433.0420 11.2029 10.9684 PRESSURE: 2633400 469.515 88.9004 -40.4883 88.9004 -15.8236 -28.5244 -40.4883 -28.5245 201.296 GPRESSURE: 2633400 515.764 50.6648 -33.6893 22.0294 48.1112 -12.9575 -31.2066 -43.0517 205.172 PRESSAVG: 2633400 38.6706 -20.2016 -2.16579 -20.2016 -57.1855 41.2507 -2.16594 41.2507 39.7743 GPRESSAVG: 2633400 38.6692 -18.5806 -2.42726 -20.122 -56.5743 40.2474 -0.374299 41.8057 39.4639 TIMING: 2633400 CPU: 7849.05, 0.00297644/step Wall: 7849.05, 0.00297644/step, 1.95668 hours remaining, 206.023438 MB of memory in use. ENERGY: 2633400 728.5559 2071.4342 1930.8601 98.9442 -206458.8570 18167.6751 0.0000 0.0000 34324.3022 -149137.0853 299.7627 -183461.3875 -149046.9560 299.4808 218.3291 256.3492 557701.5812 7.0864 7.1863 PRESSURE: 2633600 7.69796 -149.932 75.6199 -149.933 -33.3937 -8.83493 75.6186 -8.83478 -190.589 GPRESSURE: 2633600 44.0914 -186.904 85.0082 -184.367 -36.7723 -7.0162 147.692 -16.7673 -111.04 PRESSAVG: 2633600 17.4409 -38.92 4.63176 -38.9199 -10.0257 -1.03517 4.63166 -1.03529 13.8053 GPRESSAVG: 2633600 16.8909 -40.0991 4.29213 -37.605 -10.8733 2.98667 3.11315 -2.16139 16.0019 TIMING: 2633600 CPU: 7849.64, 0.00298395/step Wall: 7849.64, 0.00298395/step, 1.96145 hours remaining, 206.023438 MB of memory in use. ENERGY: 2633600 738.8198 2164.6448 1930.7316 119.6943 -205861.4259 17489.9121 0.0000 0.0000 34200.3450 -149217.2783 298.6801 -183417.6233 -149118.1234 299.1300 -72.0949 -34.5737 556898.2728 7.0735 7.3398 PRESSURE: 2633800 -8.97535 72.8059 40.9658 72.8061 -355.255 115.926 40.9654 115.925 -210.991 GPRESSURE: 2633800 -28.0888 113.632 -26.912 24.5059 -327.327 57.3134 -56.9181 92.4148 -125.636 PRESSAVG: 2633800 -65.1159 37.8672 41.9473 37.8672 40.7333 -13.5585 41.9473 -13.5585 1.14519 GPRESSAVG: 2633800 -65.6887 39.021 43.1684 36.7843 42.6087 -17.9757 43.5225 -11.8182 -0.113537 TIMING: 2633800 CPU: 7850.24, 0.00298038/step Wall: 7850.24, 0.00298038/step, 1.95894 hours remaining, 206.023438 MB of memory in use. ENERGY: 2633800 751.7412 2088.5578 1931.2771 115.2398 -206090.5438 17490.9296 0.0000 0.0000 34398.6630 -149314.1354 300.4121 -183712.7984 -149212.2857 299.5236 -191.7405 -160.3507 557655.6052 -7.7458 -7.7312 PRESSURE: 2634000 -271.941 47.7079 148.004 47.7073 9.0338 110.379 148.003 110.378 -137.557 GPRESSURE: 2634000 -210.206 -36.0769 32.4773 11.3768 -51.7486 73.2476 115.529 145.794 -45.296 PRESSAVG: 2634000 -33.3033 24.8572 33.0881 24.8573 31.8401 -4.58524 33.0881 -4.58532 -7.31333 GPRESSAVG: 2634000 -32.0439 24.4 29.8324 26.686 30.7555 -4.26137 32.306 -5.18938 -7.77464 TIMING: 2634000 CPU: 7850.84, 0.00298879/step Wall: 7850.84, 0.00298879/step, 1.9643 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: 2634000 773.6147 2113.3917 1914.6561 101.8166 -206032.6616 17728.5606 0.0000 0.0000 34273.3288 -149127.2930 299.3175 -183400.6218 -149034.2358 299.9251 -133.4878 -102.4169 559327.5906 -2.9255 -3.0210 PRESSURE: 2634200 -56.5125 43.2433 -56.4669 43.2425 54.6498 53.6638 -56.4655 53.6645 -274.022 GPRESSURE: 2634200 -10.7868 52.8472 79.6396 115.24 83.1923 76.1658 -188.558 65.2918 -263.976 PRESSAVG: 2634200 11.4755 35.155 -6.31787 35.1552 32.5505 -3.21899 -6.31782 -3.21898 -21.8047 GPRESSAVG: 2634200 10.5932 35.5692 -4.31763 34.0584 32.7749 -2.45689 -6.88443 -3.50825 -20.6794 TIMING: 2634200 CPU: 7851.44, 0.00301481/step Wall: 7851.44, 0.00301481/step, 1.98123 hours remaining, 206.023438 MB of memory in use. ENERGY: 2634200 772.7071 2048.8778 1921.8639 119.8243 -206226.3683 17797.1464 0.0000 0.0000 34433.4007 -149132.5480 300.7155 -183565.9487 -149034.9940 300.0578 -91.9614 -63.8567 558654.0323 7.4071 7.5629 PRESSURE: 2634400 -81.3708 122.436 104.423 122.436 191.18 -8.50644 104.423 -8.50648 179.471 GPRESSURE: 2634400 -36.8624 107.871 111.166 90.9818 200.283 -117.589 85.6337 43.9347 226.453 PRESSAVG: 2634400 25.9157 62.0055 -24.6024 62.0055 18.5121 43.217 -24.6024 43.2169 -35.53 GPRESSAVG: 2634400 25.8058 61.2105 -25.1159 61.8223 18.2255 42.7505 -21.9094 42.9837 -34.805 TIMING: 2634400 CPU: 7852.03, 0.00296787/step Wall: 7852.03, 0.00296787/step, 1.95022 hours remaining, 206.023438 MB of memory in use. ENERGY: 2634400 726.5557 2092.6330 1957.3213 104.6974 -206543.5105 18057.5091 0.0000 0.0000 34409.9853 -149194.8088 300.5110 -183604.7941 -149094.5700 300.4191 96.4265 129.9579 557994.1378 2.9659 3.0755 PRESSURE: 2634600 211.488 100.9 77.1774 100.901 20.4753 -10.0141 77.1766 -10.0148 -36.1609 GPRESSURE: 2634600 242.281 67.684 95.7263 104.306 74.8873 -56.3773 44.774 35.3303 -19.9048 PRESSAVG: 2634600 70.2534 29.0915 9.17951 29.0915 -0.338574 12.6646 9.17953 12.6645 -60.0212 GPRESSAVG: 2634600 70.5937 29.5563 10.0731 29.2041 1.20708 13.2509 6.65953 12.16 -61.7524 TIMING: 2634600 CPU: 7852.63, 0.00298878/step Wall: 7852.63, 0.00298878/step, 1.96379 hours remaining, 206.023438 MB of memory in use. ENERGY: 2634600 773.0446 2119.5039 1959.1972 114.8491 -206831.4247 18032.6703 0.0000 0.0000 34342.8117 -149489.3477 299.9243 -183832.1594 -149394.4536 299.6381 65.2674 99.0878 557227.3935 3.2979 3.3494 PRESSURE: 2634800 -101.507 -91.7271 28.0655 -91.7289 -78.2526 -33.2237 28.0672 -33.2225 -146.395 GPRESSURE: 2634800 -22.227 -82.8264 39.2039 -61.1824 -96.1598 -59.9012 -30.6127 -78.3989 -116.259 PRESSAVG: 2634800 32.7987 55.3375 17.299 55.3375 10.6407 5.01547 17.299 5.01542 -73.1835 GPRESSAVG: 2634800 33.7146 57.1787 18.1759 55.3871 9.53165 7.05308 17.7336 2.84823 -72.7717 TIMING: 2634800 CPU: 7853.23, 0.00299353/step Wall: 7853.23, 0.00299353/step, 1.96675 hours remaining, 206.023438 MB of memory in use. ENERGY: 2634800 780.0166 2048.0864 1972.4223 103.8220 -206431.8148 17851.3961 0.0000 0.0000 34203.2377 -149472.8337 298.7054 -183676.0715 -149382.7479 298.5881 -108.7182 -78.2152 557065.4858 -9.9147 -9.8418 PRESSURE: 2635000 -254.367 -14.3008 129.486 -14.3014 -289.851 -24.9507 129.486 -24.9504 -162.264 GPRESSURE: 2635000 -181.368 59.73 157.994 -47.2685 -285.999 19.3211 99.7048 -52.7463 -154.849 PRESSAVG: 2635000 -8.00002 42.7169 35.8011 42.7169 12.3803 -62.8953 35.801 -62.8954 12.4476 GPRESSAVG: 2635000 -8.28018 42.114 35.5044 43.0245 12.0797 -63.131 34.5421 -62.9155 12.5498 TIMING: 2635000 CPU: 7853.82, 0.00297725/step Wall: 7853.82, 0.00297725/step, 1.95589 hours remaining, 206.023438 MB of memory in use. ENERGY: 2635000 743.0474 2061.1335 1954.3963 101.7041 -206428.2495 17635.5063 0.0000 0.0000 34352.0753 -149580.3866 300.0052 -183932.4619 -149485.7791 298.8627 -235.4939 -207.4054 558050.5116 5.6093 5.4498 PRESSURE: 2635200 -178.186 106.693 7.7638 106.693 -6.24816 -38.8332 7.76424 -38.8352 250.15 GPRESSURE: 2635200 -180.998 88.9109 -26.6532 78.1456 50.8526 -53.895 42.9124 -34.8563 307.113 PRESSAVG: 2635200 -0.516959 -17.3155 -6.70028 -17.3154 -37.2589 4.85704 -6.7003 4.85702 48.0583 GPRESSAVG: 2635200 -1.58279 -17.1603 -5.90671 -21.181 -37.7775 2.14296 -6.1421 6.32716 49.1383 TIMING: 2635200 CPU: 7854.42, 0.00299909/step Wall: 7854.42, 0.00299909/step, 1.97007 hours remaining, 206.023438 MB of memory in use. ENERGY: 2635200 713.4678 2076.7616 1931.7867 110.3344 -206765.1820 18000.7008 0.0000 0.0000 34234.4729 -149697.6578 298.9782 -183932.1307 -149594.4526 298.5386 21.9056 58.9894 557056.8298 3.4275 3.2593 PRESSURE: 2635400 227.413 -149.825 32.7409 -149.825 -6.26694 110.325 32.7408 110.325 140.775 GPRESSURE: 2635400 276.892 -72.544 24.0827 -266.048 33.3305 79.6758 109.205 130.431 146.468 PRESSAVG: 2635400 90.3878 -49.6517 -18.1385 -49.6518 -35.4805 23.0088 -18.1384 23.0089 -52.9513 GPRESSAVG: 2635400 90.4411 -49.8829 -20.5391 -47.4438 -35.2697 24.9118 -19.0894 23.3236 -54.0004 TIMING: 2635400 CPU: 7855.03, 0.00300747/step Wall: 7855.03, 0.00300747/step, 1.97541 hours remaining, 206.023438 MB of memory in use. ENERGY: 2635400 737.8736 2044.7268 1967.5075 114.7767 -206858.3682 18157.8665 0.0000 0.0000 34214.5974 -149621.0196 298.8046 -183835.6170 -149528.2753 298.0820 120.6405 152.2304 557654.9250 0.6520 0.3903 PRESSURE: 2635600 217.139 5.33331 35.9553 5.33253 318.331 -122.313 35.9551 -122.314 5.62125 GPRESSURE: 2635600 270.091 76.3741 33.3837 -94.8308 319.112 -118.706 1.79512 -107.775 48.3109 PRESSAVG: 2635600 41.2205 -71.2741 -24.3327 -71.2741 -31.2876 5.38971 -24.3326 5.38972 3.54569 GPRESSAVG: 2635600 40.9829 -70.1738 -23.3475 -68.5009 -31.3369 4.81055 -22.688 4.66027 3.9107 TIMING: 2635600 CPU: 7855.63, 0.00300871/step Wall: 7855.63, 0.00300871/step, 1.97605 hours remaining, 206.023438 MB of memory in use. ENERGY: 2635600 717.7040 2063.0894 1943.4872 113.3515 -206835.3682 18115.3169 0.0000 0.0000 34213.3343 -149669.0848 298.7936 -183882.4191 -149572.1854 297.7455 180.3636 212.5047 556333.7216 4.4929 4.5189 PRESSURE: 2635800 -159.293 36.0795 8.64745 36.0795 -138.909 81.5975 8.64789 81.5986 123.592 GPRESSURE: 2635800 -82.2792 25.5138 34.1446 -43.981 -115.711 -23.0521 17.0793 106.087 123.042 PRESSAVG: 2635800 30.602 -44.171 -31.4607 -44.171 -45.5768 17.6742 -31.4607 17.6743 32.1385 GPRESSAVG: 2635800 31.2254 -45.1506 -29.5243 -46.242 -44.4954 16.2853 -32.9069 18.326 30.8436 TIMING: 2635800 CPU: 7856.24, 0.00304623/step Wall: 7856.24, 0.00304623/step, 2.00053 hours remaining, 206.023438 MB of memory in use. ENERGY: 2635800 708.4548 2075.7384 1923.4173 116.3599 -206212.5287 17716.1327 0.0000 0.0000 34038.3059 -149634.1197 297.2650 -183672.4256 -149547.9206 297.9875 -58.2035 -24.9829 556437.3529 5.7212 5.8578 PRESSURE: 2636000 -97.1644 47.3897 -162.277 47.3898 -168.014 -12.9835 -162.278 -12.984 -150.698 GPRESSURE: 2636000 -116.157 65.385 -216.989 64.5015 -144.564 55.4745 -76.8509 -51.2255 -55.9603 PRESSAVG: 2636000 11.8537 23.2649 17.3732 23.2647 -48.3339 62.0411 17.3732 62.0412 46.1792 GPRESSAVG: 2636000 11.9247 25.4112 15.6342 22.4126 -49.3956 62.1653 19.288 63.6696 47.2942 TIMING: 2636000 CPU: 7856.84, 0.00301458/step Wall: 7856.84, 0.00301458/step, 1.97958 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: 2636000 757.9035 2105.8683 1936.8465 123.6821 -206382.0295 17727.6585 0.0000 0.0000 33978.0590 -149752.0117 296.7388 -183730.0706 -149644.9785 297.1375 -138.6256 -105.5605 557748.4189 3.2330 3.2745 PRESSURE: 2636200 124.241 -32.2973 -125.599 -32.2976 98.4276 55.5389 -125.599 55.5394 79.3492 GPRESSURE: 2636200 159.075 51.915 -50.1531 -88.3663 116.255 165.623 -147.019 -17.4556 122.584 PRESSAVG: 2636200 30.801 -10.5278 -82.7518 -10.5278 -83.7438 -13.108 -82.7518 -13.108 65.1236 GPRESSAVG: 2636200 31.106 -12.8271 -82.8198 -8.57238 -83.1606 -10.6928 -83.8052 -14.4365 64.1001 TIMING: 2636200 CPU: 7857.44, 0.00300598/step Wall: 7857.44, 0.00300598/step, 1.97376 hours remaining, 206.023438 MB of memory in use. ENERGY: 2636200 758.1433 2051.8413 1935.1555 106.6431 -206852.2467 18110.7423 0.0000 0.0000 34065.7481 -149823.9731 297.5047 -183889.7212 -149723.5933 297.5891 100.6724 132.6380 557090.7450 4.0603 4.0152 LDB: ============= START OF LOAD BALANCING ============== 7860.87 LDB: ============== END OF LOAD BALANCING =============== 7860.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7860.87 LDB: ============= START OF LOAD BALANCING ============== 7861.17 LDB: Largest compute 4821 load 0.027665 is 23.4% of average load 0.118092 LDB: Average compute 0.001726 is 1.5% of average load 0.118092 LDB: TIME 7861.17 LOAD: AVG 0.118092 MAX 0.20594 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.668 MB LDB: TIME 7861.17 LOAD: AVG 0.118092 MAX 0.20594 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.73 MB LDB: TIME 7861.17 LOAD: AVG 0.118092 MAX 0.20594 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.73 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7861.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7861.18 PRESSURE: 2636400 -95.2038 20.7571 -51.2899 20.7567 -41.0646 67.154 -51.2903 67.1565 3.58267 GPRESSURE: 2636400 -51.6332 39.9462 -30.3044 91.4176 4.45369 -57.2129 -83.6826 167.266 7.79799 PRESSAVG: 2636400 -0.0107832 5.08661 -71.0098 5.08662 -51.2852 13.3374 -71.0098 13.3374 7.37413 GPRESSAVG: 2636400 0.804594 7.44083 -71.1405 3.29806 -52.3563 10.3337 -69.6519 12.1607 7.26704 TIMING: 2636400 CPU: 7858.05, 0.00304981/step Wall: 7858.05, 0.00304981/step, 2.00237 hours remaining, 207.542969 MB of memory in use. ENERGY: 2636400 787.1966 2029.1932 1944.3685 120.5116 -206390.6085 17790.8881 0.0000 0.0000 34042.8621 -149675.5883 297.3048 -183718.4504 -149583.3775 297.4152 -44.2286 -13.1272 557463.4890 -14.6406 -14.7616 PRESSURE: 2636600 -102.274 65.9984 37.9161 65.9997 -216.271 -148.518 37.9172 -148.517 24.3547 GPRESSURE: 2636600 -99.5737 54.7785 17.6953 121.984 -171.029 -138.295 28.7831 -183.291 64.0064 PRESSAVG: 2636600 -56.0002 16.8682 -30.3843 16.8682 48.7889 10.8529 -30.3842 10.8529 -23.9428 GPRESSAVG: 2636600 -57.199 15.652 -29.8514 17.9514 49.6203 12.2212 -33.1377 12.632 -23.4858 TIMING: 2636600 CPU: 7858.65, 0.00300604/step Wall: 7858.65, 0.00300604/step, 1.97347 hours remaining, 207.613281 MB of memory in use. ENERGY: 2636600 769.7403 2074.8120 1959.0249 117.5617 -206536.5828 17833.2054 0.0000 0.0000 34148.8146 -149633.4240 298.2301 -183782.2386 -149531.4232 297.7766 -98.0633 -68.8654 558598.7014 -10.3847 -10.3548 PRESSURE: 2636800 -189.055 -130.019 -147.522 -130.019 -21.4374 125.454 -147.521 125.453 -248.286 GPRESSURE: 2636800 -69.6766 -61.1246 -84.7256 -61.6527 -24.8787 82.8018 -158.734 66.8467 -274.374 PRESSAVG: 2636800 -61.0709 -28.6139 17.3836 -28.6139 32.0654 -10.1324 17.3837 -10.1325 20.6079 GPRESSAVG: 2636800 -60.8239 -27.235 16.3933 -31.6043 31.6888 -10.0321 20.7548 -11.4937 21.239 TIMING: 2636800 CPU: 7859.25, 0.00300683/step Wall: 7859.25, 0.00300683/step, 1.97382 hours remaining, 207.613281 MB of memory in use. ENERGY: 2636800 757.7256 2076.3163 1923.2185 103.2504 -206417.8214 17798.4770 0.0000 0.0000 34192.6969 -149566.1367 298.6133 -183758.8336 -149472.1558 297.9885 -152.9260 -122.9765 559176.7378 -2.7992 -2.6320 PRESSURE: 2637000 59.3413 66.5057 -82.3041 66.5057 233.969 -137.435 -82.3045 -137.435 -67.9654 GPRESSURE: 2637000 67.3463 -0.518563 -137.48 63.6254 300.451 -93.6671 -31.7068 -198.703 -32.9876 PRESSAVG: 2637000 25.1346 35.5521 -41.5917 35.5521 4.10199 -0.72159 -41.5917 -0.721477 -32.2077 GPRESSAVG: 2637000 26.1811 31.6009 -42.3745 40.3663 3.63794 -1.74311 -41.8857 0.331222 -33.3806 TIMING: 2637000 CPU: 7859.85, 0.0029904/step Wall: 7859.85, 0.0029904/step, 1.96287 hours remaining, 207.613281 MB of memory in use. ENERGY: 2637000 766.1764 2027.8913 1954.3832 114.9028 -206730.4769 18165.3743 0.0000 0.0000 34245.0326 -149456.7163 299.0704 -183701.7489 -149354.6529 298.0949 75.1151 111.6034 559305.9400 -0.9904 -1.1872 PRESSURE: 2637200 95.2418 61.057 85.0344 61.0565 108.757 -86.0649 85.0341 -86.0656 262.359 GPRESSURE: 2637200 186.091 22.6856 43.1611 100.52 96.8377 -47.6789 68.3457 -74.3158 281.988 PRESSAVG: 2637200 9.37372 -20.201 -30.6105 -20.201 1.42511 11.9195 -30.6104 11.9196 -27.9197 GPRESSAVG: 2637200 8.85172 -17.5546 -30.8728 -21.9472 0.583032 12.6388 -30.6858 12.2582 -26.7449 TIMING: 2637200 CPU: 7860.45, 0.00299246/step Wall: 7860.45, 0.00299246/step, 1.96405 hours remaining, 207.613281 MB of memory in use. ENERGY: 2637200 720.1427 2059.7450 1940.9452 109.2395 -206281.3530 17886.9643 0.0000 0.0000 34631.0565 -148933.2598 302.4416 -183564.3163 -148830.3908 299.3603 155.4528 188.3055 557789.7015 -5.7070 -5.7700 PRESSURE: 2637400 -89.4036 23.1245 31.8586 23.1255 -36.1161 217.74 31.8583 217.74 -82.0934 GPRESSURE: 2637400 -0.0656182 -5.6171 6.4454 -61.9812 -4.53615 204.721 -39.2572 243.847 -109.277 PRESSAVG: 2637400 13.4964 -42.6001 12.6257 -42.6002 -7.39623 0.543275 12.6258 0.543219 39.0621 GPRESSAVG: 2637400 12.2983 -43.3949 13.0741 -43.7663 -6.64315 1.54745 12.1163 -0.564093 39.4778 TIMING: 2637400 CPU: 7861.04, 0.00294945/step Wall: 7861.04, 0.00294945/step, 1.93566 hours remaining, 207.613281 MB of memory in use. ENERGY: 2637400 740.9365 2000.6518 1955.1606 113.3547 -205944.3166 17639.5917 0.0000 0.0000 34432.2289 -149062.3923 300.7052 -183494.6213 -148965.0000 299.9611 -69.2044 -37.9595 557199.7378 15.0541 15.0443 PRESSURE: 2637600 -202.973 33.66 86.3364 33.6602 -42.5414 42.0636 86.3371 42.0635 -297.987 GPRESSURE: 2637600 -174.436 60.7734 94.538 69.578 19.5925 5.30759 58.9681 -62.9862 -280.458 PRESSAVG: 2637600 -33.3039 18.7002 11.9185 18.7002 40.6474 75.2463 11.9184 75.2463 -11.7689 GPRESSAVG: 2637600 -31.7982 19.7749 12.9309 19.7555 41.3582 74.9407 13.5188 75.0475 -13.1509 TIMING: 2637600 CPU: 7861.64, 0.00298565/step Wall: 7861.64, 0.00298565/step, 1.95925 hours remaining, 207.613281 MB of memory in use. ENERGY: 2637600 782.2598 2076.1950 1972.3993 111.1427 -205927.2713 17595.7720 0.0000 0.0000 34260.9488 -149128.5537 299.2094 -183389.5024 -149035.5258 299.6964 -181.1672 -145.1004 558548.2799 -1.4752 -1.1970 PRESSURE: 2637800 -253.668 -22.0616 51.3723 -22.0611 -149.887 -130.66 51.3723 -130.663 -107.167 GPRESSURE: 2637800 -221.046 21.8363 -24.5068 -62.8865 -97.6593 -87.7066 70.0476 -104.077 -92.6315 PRESSAVG: 2637800 -9.50388 -40.652 -1.61181 -40.652 26.3129 17.6106 -1.61178 17.6106 -30.1107 GPRESSAVG: 2637800 -10.3411 -41.631 -2.14319 -41.1312 25.9445 17.1947 -2.37821 17.2576 -28.7374 TIMING: 2637800 CPU: 7862.23, 0.00297943/step Wall: 7862.23, 0.00297943/step, 1.955 hours remaining, 207.613281 MB of memory in use. ENERGY: 2637800 754.4163 2024.0198 1942.6010 99.3528 -205969.0317 17518.1191 0.0000 0.0000 34327.2571 -149303.2656 299.7885 -183630.5227 -149198.4242 299.1698 -170.2406 -137.1123 557554.5087 -4.4339 -4.3780 PRESSURE: 2638000 -50.7084 -96.0692 12.6098 -96.0695 104.957 48.2948 12.6102 48.2944 -142.421 GPRESSURE: 2638000 -27.4289 -159.639 40.1989 -51.1382 105.507 48.9363 -7.63159 101.856 -75.7005 PRESSAVG: 2638000 10.9845 -45.7928 41.1615 -45.7928 78.4544 -6.77315 41.1615 -6.77316 -44.5576 GPRESSAVG: 2638000 10.444 -45.8221 39.7557 -46.7179 78.9384 -7.19317 41.1381 -6.33978 -44.3013 TIMING: 2638000 CPU: 7862.83, 0.00300312/step Wall: 7862.83, 0.00300312/step, 1.97038 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: 2638000 743.8535 2057.9159 1950.1963 107.0140 -206225.0533 17783.0515 0.0000 0.0000 34207.2326 -149375.7895 298.7403 -183583.0222 -149286.9441 299.3703 -29.3906 0.7926 557381.7550 14.9604 15.0270 PRESSURE: 2638200 -97.281 -228.997 100.142 -228.996 183.313 147.469 100.142 147.468 132.239 GPRESSURE: 2638200 -15.9586 -285.45 132.078 -158.974 198.302 165.814 77.9122 129.608 124.706 PRESSAVG: 2638200 21.5209 -61.9253 -8.31897 -61.9252 6.73206 76.0503 -8.31914 76.0504 -36.1485 GPRESSAVG: 2638200 22.3564 -59.2239 -6.09729 -61.0249 6.77104 77.4282 -8.21022 75.5767 -37.0725 TIMING: 2638200 CPU: 7863.43, 0.00300022/step Wall: 7863.43, 0.00300022/step, 1.96831 hours remaining, 207.613281 MB of memory in use. ENERGY: 2638200 752.6321 2043.3593 1950.7874 96.9928 -206556.4700 17892.7835 0.0000 0.0000 34254.2324 -149565.6826 299.1507 -183819.9150 -149472.6684 299.5330 72.7570 102.3498 557008.3575 -2.6318 -2.6483 PRESSURE: 2638400 -43.8326 167.845 50.3298 167.843 -153.356 40.426 50.3299 40.4256 -141.07 GPRESSURE: 2638400 14.0797 128.343 64.3785 142.112 -120.535 -36.122 -2.93193 32.4108 -150.621 PRESSAVG: 2638400 -20.9422 5.05649 39.6254 5.05658 -9.89128 3.84781 39.6254 3.84791 25.5562 GPRESSAVG: 2638400 -20.5626 1.35244 38.5547 5.4835 -10.1209 2.3668 40.2091 3.99938 25.0775 TIMING: 2638400 CPU: 7864.03, 0.00299827/step Wall: 7864.03, 0.00299827/step, 1.96686 hours remaining, 207.613281 MB of memory in use. ENERGY: 2638400 748.4683 2153.3168 1956.4060 119.6726 -206080.4556 17645.9670 0.0000 0.0000 34105.3310 -149351.2938 297.8503 -183456.6248 -149259.0340 298.7848 -112.7527 -85.6918 557589.5052 -1.7591 -1.8687 PRESSURE: 2638600 -438.558 21.8081 -129.196 21.8076 -97.3437 -71.7341 -129.196 -71.7321 -74.7582 GPRESSURE: 2638600 -397.302 82.4237 -226.681 88.8481 -86.1733 -101.625 -81.5116 -89.1441 -13.7203 PRESSAVG: 2638600 -48.3112 40.3696 21.8834 40.3695 20.9517 -25.6548 21.8834 -25.6548 57.4252 GPRESSAVG: 2638600 -49.5406 41.2915 21.7297 39.541 20.9243 -25.3004 23.1728 -26.0488 58.7494 TIMING: 2638600 CPU: 7864.64, 0.00301483/step Wall: 7864.64, 0.00301483/step, 1.97756 hours remaining, 207.613281 MB of memory in use. ENERGY: 2638600 752.2545 2092.5978 1941.0900 120.5650 -205865.1447 17558.9365 0.0000 0.0000 34070.1668 -149329.5340 297.5432 -183399.7008 -149236.7222 299.6868 -203.5534 -165.7317 557933.7734 10.0219 10.0443 PRESSURE: 2638800 -76.3295 -73.1681 -186.665 -73.1687 67.8439 -55.8279 -186.666 -55.828 -105.675 GPRESSURE: 2638800 -29.0133 24.7279 -193.379 -83.4404 96.7815 -65.5096 -168.821 -94.3688 -98.7846 PRESSAVG: 2638800 -30.0229 34.0198 -53.4723 34.0198 48.7066 41.6393 -53.4723 41.6393 -33.0103 GPRESSAVG: 2638800 -29.3593 33.9312 -53.6427 32.697 49.2454 39.8662 -53.8135 42.7618 -34.0043 TIMING: 2638800 CPU: 7865.23, 0.00298059/step Wall: 7865.23, 0.00298059/step, 1.95493 hours remaining, 207.613281 MB of memory in use. ENERGY: 2638800 710.4748 2106.8229 1930.7125 112.9605 -206302.9857 17762.2278 0.0000 0.0000 34168.2184 -149511.5688 298.3995 -183679.7872 -149411.0943 298.0474 -38.0535 -10.3388 557718.6936 -4.7755 -4.7061 PRESSURE: 2639000 -235.515 139.304 -100.557 139.303 -75.2622 -24.2837 -100.556 -24.2841 94.0893 GPRESSURE: 2639000 -247.875 99.2877 -162.591 98.3498 -33.7573 -62.5513 -62.6954 -81.0026 150.591 PRESSAVG: 2639000 -29.3878 54.3212 -4.91705 54.3212 14.0193 -30.0233 -4.9171 -30.0232 48.1156 GPRESSAVG: 2639000 -29.6328 55.2956 -3.53394 55.6251 13.3643 -27.2306 -5.90311 -32.7953 49.0554 TIMING: 2639000 CPU: 7865.83, 0.00296597/step Wall: 7865.83, 0.00296597/step, 1.94518 hours remaining, 207.613281 MB of memory in use. ENERGY: 2639000 734.7292 2059.9818 1924.4690 122.2632 -206293.4132 17857.3804 0.0000 0.0000 34338.5418 -149256.0478 299.8870 -183594.5897 -149158.4881 299.4339 -72.2293 -43.6805 557806.4462 10.9157 10.9289 PRESSURE: 2639200 7.302 50.4307 -26.5427 50.4304 -27.6467 8.75831 -26.5428 8.75707 73.3055 GPRESSURE: 2639200 73.8916 73.1147 -24.8525 -8.81868 -12.7844 11.7891 -6.29351 54.7805 92.7901 PRESSAVG: 2639200 -38.8172 -7.00328 45.205 -7.00329 -7.61419 5.68106 45.205 5.68117 3.48186 GPRESSAVG: 2639200 -38.7005 -8.21066 45.7412 -7.69351 -8.05706 4.61023 46.4511 8.70815 3.97431 TIMING: 2639200 CPU: 7866.42, 0.00298968/step Wall: 7866.42, 0.00298968/step, 1.96057 hours remaining, 207.613281 MB of memory in use. ENERGY: 2639200 747.4190 2113.0009 1926.5787 111.7480 -206330.7158 17818.4440 0.0000 0.0000 34453.3764 -149160.1487 300.8899 -183613.5251 -149062.3169 299.2710 17.6536 51.2991 557641.1407 -14.3165 -14.2611 PRESSURE: 2639400 -0.802013 -81.6871 41.0423 -81.688 -16.3465 -190.014 41.0432 -190.014 -321.4 GPRESSURE: 2639400 -17.4382 -125.846 14.9556 -8.16193 42.4274 -239.653 71.8542 -161.271 -269.419 PRESSAVG: 2639400 -17.9471 -80.4614 -21.6298 -80.4614 26.8432 -9.37015 -21.6298 -9.37012 11.4946 GPRESSAVG: 2639400 -17.669 -79.4225 -22.4534 -79.4158 27.1439 -8.11609 -22.4007 -12.3237 11.5431 TIMING: 2639400 CPU: 7867.02, 0.00298957/step Wall: 7867.02, 0.00298957/step, 1.96033 hours remaining, 207.613281 MB of memory in use. ENERGY: 2639400 726.2020 2085.7962 1946.1636 114.7441 -206335.1861 17915.6726 0.0000 0.0000 34378.0706 -149168.5369 300.2322 -183546.6075 -149070.2511 300.1024 -112.8494 -81.4767 559855.3139 6.7969 7.0060 PRESSURE: 2639600 -193.385 -124.23 24.2373 -124.228 -175.977 76.5862 24.237 76.5856 -93.2889 GPRESSURE: 2639600 -97.5247 -66.0521 -36.9277 -171.615 -149.056 88.6788 87.3815 53.6546 -124.077 PRESSAVG: 2639600 25.5745 -55.0628 -25.171 -55.0629 -25.8809 -6.31506 -25.1709 -6.31505 -55.1783 GPRESSAVG: 2639600 25.3334 -58.2484 -26.9286 -54.2605 -25.7097 -9.14233 -24.8347 -4.98311 -55.0007 TIMING: 2639600 CPU: 7867.62, 0.00300141/step Wall: 7867.62, 0.00300141/step, 1.96793 hours remaining, 207.613281 MB of memory in use. ENERGY: 2639600 759.1606 2146.7089 1943.7425 106.5177 -206357.2217 17777.5896 0.0000 0.0000 34329.1583 -149294.3440 299.8051 -183623.5023 -149202.8951 299.7527 -154.2171 -123.5526 557376.6811 -18.4949 -18.4590 PRESSURE: 2639800 -44.2387 -2.51403 -47.7874 -2.51346 -107.179 -77.4237 -47.7887 -77.4226 -35.5851 GPRESSURE: 2639800 -98.6152 -31.7332 -135.359 -107.227 -52.1117 -56.4783 -55.2833 -50.2976 58.9517 PRESSAVG: 2639800 35.7282 -25.2301 -18.6314 -25.2302 -8.50825 -2.60503 -18.6314 -2.60488 20.7965 GPRESSAVG: 2639800 36.334 -24.5978 -19.4762 -26.4719 -9.58572 -0.580596 -17.4389 -2.46829 21.8485 TIMING: 2639800 CPU: 7868.22, 0.00298138/step Wall: 7868.22, 0.00298138/step, 1.95463 hours remaining, 207.613281 MB of memory in use. ENERGY: 2639800 765.0759 2094.5470 1957.4188 116.7616 -206438.6211 17832.9545 0.0000 0.0000 34351.9001 -149319.9632 300.0037 -183671.8633 -149218.4094 299.3927 -62.3343 -30.5917 557812.9739 16.0055 16.1989 PRESSURE: 2640000 -209.189 -129.498 21.3374 -129.498 -167.594 -45.0159 21.3373 -45.0157 -243.571 GPRESSURE: 2640000 -186.036 -162.827 -46.2637 -93.6626 -143.855 5.50674 54.0764 37.7943 -203.526 PRESSAVG: 2640000 47.0173 -16.8467 -23.4139 -16.8468 -21.907 24.0044 -23.4138 24.0044 -43.0176 GPRESSAVG: 2640000 46.8221 -15.2712 -21.1382 -17.5859 -20.0697 24.5424 -26.1577 25.393 -44.5645 TIMING: 2640000 CPU: 7868.81, 0.00295844/step Wall: 7868.81, 0.00295844/step, 1.93942 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: 2640000 719.7684 2094.0968 1946.2315 109.8393 -205963.2074 17526.2842 0.0000 0.0000 34429.8621 -149137.1250 300.6845 -183566.9871 -149044.9090 299.4272 -206.7845 -177.8058 558505.3223 -5.9691 -5.9374 PRESSURE: 2640200 123.731 43.1694 39.1634 43.1695 -201.071 88.5065 39.1634 88.5071 83.6125 GPRESSURE: 2640200 157.343 164.318 -0.226482 -62.1489 -146.122 18.948 136.559 37.526 97.1247 PRESSAVG: 2640200 59.9744 -10.6899 -21.1272 -10.6897 -44.1847 48.9179 -21.1272 48.9179 -34.8551 GPRESSAVG: 2640200 59.1251 -11.1355 -21.4087 -8.76261 -44.0367 47.0033 -19.503 47.7878 -33.8347 TIMING: 2640200 CPU: 7869.4, 0.00297127/step Wall: 7869.4, 0.00297127/step, 1.94767 hours remaining, 207.613281 MB of memory in use. ENERGY: 2640200 748.2318 2147.8909 1944.2320 105.0631 -206444.6388 17777.0051 0.0000 0.0000 34543.5012 -149178.7147 301.6770 -183722.2159 -149073.0134 299.5098 2.0907 36.1152 557715.2876 -6.3551 -6.2488 LDB: ============= START OF LOAD BALANCING ============== 7872.84 LDB: ============== END OF LOAD BALANCING =============== 7872.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7872.84 LDB: ============= START OF LOAD BALANCING ============== 7873.14 LDB: Largest compute 4821 load 0.029718 is 25.2% of average load 0.118064 LDB: Average compute 0.001735 is 1.5% of average load 0.118064 LDB: TIME 7873.15 LOAD: AVG 0.118064 MAX 0.207282 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 7873.15 LOAD: AVG 0.118064 MAX 0.207282 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: TIME 7873.15 LOAD: AVG 0.118064 MAX 0.207282 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7873.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7873.15 PRESSURE: 2640400 -30.7271 159.624 1.81638 159.623 -173.255 -11.2797 1.81692 -11.2804 259.781 GPRESSURE: 2640400 22.207 195.29 -75.4927 94.4792 -186.076 -85.0623 30.4213 17.3076 310.818 PRESSAVG: 2640400 104.516 5.19917 44.8392 5.19924 -18.907 -14.29 44.8391 -14.29 -77.0006 GPRESSAVG: 2640400 104.47 6.41309 45.0826 3.69494 -19.0561 -11.094 43.5517 -14.152 -76.9533 TIMING: 2640400 CPU: 7870.02, 0.00309178/step Wall: 7870.02, 0.00309178/step, 2.02649 hours remaining, 206.000000 MB of memory in use. ENERGY: 2640400 726.1485 2137.3953 1935.5883 120.9341 -206354.3531 17809.9539 0.0000 0.0000 34398.4084 -149225.9247 300.4099 -183624.3331 -149119.9357 299.6893 18.5996 48.9829 557696.3087 2.8695 2.8203 PRESSURE: 2640600 107.97 26.8006 44.3369 26.7997 -125.612 60.7922 44.3369 60.7932 -97.1794 GPRESSURE: 2640600 147.599 -46.4614 31.5484 70.1378 -95.8433 53.2278 146.677 104.407 -74.3298 PRESSAVG: 2640600 43.537 23.9664 -33.2622 23.9663 -21.0138 -7.68367 -33.2623 -7.68378 -27.3329 GPRESSAVG: 2640600 43.4221 22.5407 -33.0826 26.3258 -21.0108 -8.43812 -32.1005 -9.29075 -27.7055 TIMING: 2640600 CPU: 7870.63, 0.00302787/step Wall: 7870.63, 0.00302787/step, 1.98443 hours remaining, 206.000000 MB of memory in use. ENERGY: 2640600 746.2794 2107.8250 1936.8960 115.4372 -206169.1653 17650.1837 0.0000 0.0000 34254.7309 -149357.8131 299.1551 -183612.5440 -149261.6834 299.2065 -38.2735 -7.5249 556627.7471 -1.6032 -1.7647 PRESSURE: 2640800 -12.6057 4.32003 -67.9611 4.31901 -180.038 65.995 -67.9612 65.9974 -82.2804 GPRESSURE: 2640800 56.3267 56.4989 -47.5123 23.3838 -149.765 129.728 -71.5318 15.7895 -74.5481 PRESSAVG: 2640800 44.591 29.7645 -12.1629 29.7645 19.422 -2.8108 -12.1628 -2.81075 -18.2172 GPRESSAVG: 2640800 44.7983 31.1243 -10.2764 28.1413 19.3981 -3.06191 -12.53 -1.0035 -18.2207 TIMING: 2640800 CPU: 7871.24, 0.00303892/step Wall: 7871.24, 0.00303892/step, 1.99151 hours remaining, 206.000000 MB of memory in use. ENERGY: 2640800 705.7920 2106.1761 1944.2449 104.5423 -205754.2536 17414.8744 0.0000 0.0000 34176.3574 -149302.2667 298.4706 -183478.6241 -149201.2386 299.1113 -91.6413 -55.9954 556361.6807 15.2653 15.3252 PRESSURE: 2641000 -155.695 -27.7047 41.5835 -27.7054 9.26234 4.60094 41.5839 4.60124 -157.656 GPRESSURE: 2641000 -86.7486 -5.52176 36.7045 -2.62409 18.5807 36.161 109.139 33.7866 -142.931 PRESSAVG: 2641000 21.7894 -12.2275 20.3976 -12.2275 -0.145879 -21.9048 20.3975 -21.9047 -24.0163 GPRESSAVG: 2641000 21.8295 -11.1559 20.287 -11.7248 0.330327 -21.3952 19.7682 -24.6204 -24.1358 TIMING: 2641000 CPU: 7871.84, 0.00303809/step Wall: 7871.84, 0.00303809/step, 1.99079 hours remaining, 206.000000 MB of memory in use. ENERGY: 2641000 715.7617 2114.6152 1952.0677 113.9721 -206026.3493 17484.6183 0.0000 0.0000 34293.2287 -149352.0856 299.4913 -183645.3143 -149259.8668 299.0142 -101.3630 -70.3663 556692.0350 -0.7909 -0.6586 PRESSURE: 2641200 -89.7949 -60.9451 -119.146 -60.9446 16.5282 24.9403 -119.145 24.9403 -53.2152 GPRESSURE: 2641200 12.8756 -124.674 -133.996 -55.5962 -58.0652 -18.0782 -59.9881 79.3656 19.9305 PRESSAVG: 2641200 8.204 -26.5533 -13.4815 -26.5533 -7.48838 0.991653 -13.4815 0.991678 -7.0357 GPRESSAVG: 2641200 8.97335 -27.3683 -16.2557 -26.8598 -8.83369 -0.416262 -12.8557 4.07187 -7.25945 TIMING: 2641200 CPU: 7872.45, 0.00301496/step Wall: 7872.45, 0.00301496/step, 1.97547 hours remaining, 206.000000 MB of memory in use. ENERGY: 2641200 740.1194 2129.1868 1926.3327 115.3013 -206428.3665 17834.2944 0.0000 0.0000 34187.4196 -149495.7123 298.5672 -183683.1320 -149395.3438 299.5573 -42.1606 -8.4197 556739.1811 -2.1067 -2.3733 PRESSURE: 2641400 251.739 -13.6444 -18.5999 -13.6445 -165.574 48.0555 -18.599 48.0539 30.2781 GPRESSURE: 2641400 260.703 -43.7184 -64.1556 -9.50263 -63.2007 31.1929 46.0308 91.4917 24.3032 PRESSAVG: 2641400 69.8887 -60.7624 -31.2345 -60.7625 2.42639 47.5082 -31.2346 47.5079 -21.6072 GPRESSAVG: 2641400 69.1918 -60.7326 -28.7025 -60.6742 3.87301 47.2083 -33.3999 46.5998 -22.2983 TIMING: 2641400 CPU: 7873.05, 0.00300783/step Wall: 7873.05, 0.00300783/step, 1.97063 hours remaining, 206.000000 MB of memory in use. ENERGY: 2641400 751.0443 2062.9451 1944.9224 116.1998 -206645.6774 18000.1693 0.0000 0.0000 34323.2446 -149447.1519 299.7534 -183770.3965 -149348.2028 298.9881 38.8145 73.9351 556065.0168 16.9026 16.9222 PRESSURE: 2641600 -245.587 126.637 -69.8486 126.635 -114.332 -139.358 -69.8489 -139.358 -341.034 GPRESSURE: 2641600 -152.381 130.502 -25.463 66.9208 -98.172 -150.819 -76.5241 -77.0758 -356.535 PRESSAVG: 2641600 44.0801 -21.0617 -67.1319 -21.0617 -37.897 -2.66568 -67.1319 -2.66562 -39.6412 GPRESSAVG: 2641600 44.1234 -23.2787 -67.7302 -20.336 -39.347 -2.05899 -65.9693 -1.02781 -38.3195 TIMING: 2641600 CPU: 7873.65, 0.00300216/step Wall: 7873.65, 0.00300216/step, 1.96675 hours remaining, 206.000000 MB of memory in use. ENERGY: 2641600 749.9553 2051.8421 1953.0032 117.5054 -206090.8090 17500.2107 0.0000 0.0000 34178.7857 -149539.5065 298.4918 -183718.2922 -149439.2355 298.3942 -233.6511 -202.3625 557262.2139 -11.1527 -11.1810 PRESSURE: 2641800 8.61454 81.8169 -186.541 81.8177 -179.206 6.55045 -186.541 6.55013 57.3182 GPRESSURE: 2641800 50.504 42.3013 -206.994 39.4384 -184.021 -59.5386 -199.001 27.155 122.148 PRESSAVG: 2641800 2.0365 -62.8271 -22.3682 -62.8271 -1.36282 1.04653 -22.3683 1.0465 1.82744 GPRESSAVG: 2641800 2.93838 -62.1431 -24.3677 -62.618 -0.562462 1.42308 -20.1756 0.210391 -0.268371 TIMING: 2641800 CPU: 7874.25, 0.00302179/step Wall: 7874.25, 0.00302179/step, 1.97944 hours remaining, 206.000000 MB of memory in use. ENERGY: 2641800 728.2418 2112.5519 1954.5591 115.7493 -206490.2839 17871.1838 0.0000 0.0000 34200.4741 -149507.5238 298.6812 -183707.9979 -149404.7531 298.9163 -37.7577 -3.7894 558100.8189 0.8337 0.7025 PRESSURE: 2642000 89.3465 40.5576 50.8118 40.5577 2.79667 -15.3779 50.8118 -15.3782 -27.7629 GPRESSURE: 2642000 93.362 138.548 126.304 10.4189 67.3419 -35.4399 -41.7303 46.6084 -0.173169 PRESSAVG: 2642000 -55.8356 -37.9009 -29.4564 -37.9009 -20.5262 19.6299 -29.4565 19.6299 66.7551 GPRESSAVG: 2642000 -55.6072 -39.8854 -29.5863 -37.3865 -20.7231 18.7988 -31.8397 19.4443 67.0124 TIMING: 2642000 CPU: 7874.85, 0.0029919/step Wall: 7874.85, 0.0029919/step, 1.9597 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: 2642000 750.3629 2084.7089 1959.8571 121.2117 -206205.7470 17746.3706 0.0000 0.0000 34213.8452 -149329.3906 298.7980 -183543.2358 -149225.7117 298.4818 21.4601 53.5102 557390.4797 -3.2022 -3.1060 PRESSURE: 2642200 136.645 -43.7304 37.1121 -43.7314 119.554 178.475 37.1125 178.475 -49.6443 GPRESSURE: 2642200 192.049 -21.4428 56.2221 -123.783 88.2809 151.798 84.8895 127.694 26.358 PRESSAVG: 2642200 49.0985 -29.9791 12.2684 -29.9792 14.1594 -3.29706 12.2684 -3.29702 -72.8225 GPRESSAVG: 2642200 48.6785 -28.3721 12.3332 -32.9491 14.5434 -2.62906 14.108 -4.3581 -72.6423 TIMING: 2642200 CPU: 7875.45, 0.00299648/step Wall: 7875.45, 0.00299648/step, 1.96253 hours remaining, 206.000000 MB of memory in use. ENERGY: 2642200 728.0538 2113.1443 1944.6400 109.9295 -206609.5795 18067.7317 0.0000 0.0000 34251.0119 -149395.0683 299.1226 -183646.0803 -149303.9655 298.7167 68.8516 102.2294 557905.7864 -3.1882 -3.1401 PRESSURE: 2642400 -199.576 55.0377 -97.1455 55.0385 -108.64 -86.4499 -97.1455 -86.4503 -53.6675 GPRESSURE: 2642400 -128.952 57.7245 -119.376 34.2726 -71.2628 -74.8203 -49.8299 -71.5769 -61.135 PRESSAVG: 2642400 74.2927 9.22197 -33.5557 9.22196 -26.5463 25.455 -33.5557 25.4549 -56.8341 GPRESSAVG: 2642400 73.4839 10.6789 -32.4496 12.5869 -25.969 26.7413 -32.9394 27.305 -56.4413 TIMING: 2642400 CPU: 7876.05, 0.00297441/step Wall: 7876.05, 0.00297441/step, 1.94791 hours remaining, 206.000000 MB of memory in use. ENERGY: 2642400 778.6120 2130.7397 1955.6164 116.2435 -206051.9564 17662.9225 0.0000 0.0000 34078.7337 -149329.0886 297.6181 -183407.8224 -149229.0182 298.3339 -120.6279 -87.1168 558463.3781 -3.0292 -2.9755 PRESSURE: 2642600 204.237 29.3944 -87.3512 29.3942 43.0471 121.795 -87.3522 121.795 129.984 GPRESSURE: 2642600 241.886 20.2211 -27.3443 1.16818 55.4222 124.911 -132.419 112.396 186.664 PRESSAVG: 2642600 52.8786 -8.59637 -66.5528 -8.59641 -36.3084 28.451 -66.5527 28.451 -43.0719 GPRESSAVG: 2642600 54.2654 -9.36825 -66.3948 -11.972 -37.4755 28.1134 -67.5829 27.8505 -43.1305 TIMING: 2642600 CPU: 7876.64, 0.00297671/step Wall: 7876.64, 0.00297671/step, 1.94925 hours remaining, 206.000000 MB of memory in use. ENERGY: 2642600 720.5708 2103.7997 1947.3998 115.6099 -206603.1220 18161.9221 0.0000 0.0000 34136.5370 -149417.2827 298.1229 -183553.8197 -149315.6533 298.8476 125.7561 161.3240 557173.6979 -8.8339 -8.7802 PRESSURE: 2642800 -11.0789 188.598 31.1338 188.597 -26.1306 12.3622 31.1339 12.3614 -38.5929 GPRESSURE: 2642800 -4.66295 171.214 -52.7292 233.93 -11.2875 92.8902 68.5203 -42.4345 27.5519 PRESSAVG: 2642800 31.277 61.3528 5.1964 61.3528 26.0689 23.1533 5.19641 23.1532 -53.9752 GPRESSAVG: 2642800 29.9173 62.414 2.67813 61.7692 26.6643 22.4627 5.30399 23.191 -52.8903 TIMING: 2642800 CPU: 7877.24, 0.0029948/step Wall: 7877.24, 0.0029948/step, 1.96093 hours remaining, 206.000000 MB of memory in use. ENERGY: 2642800 725.5896 2103.5117 1970.1174 105.8048 -206052.3404 17610.3936 0.0000 0.0000 34266.0715 -149270.8518 299.2541 -183536.9233 -149171.6921 299.3025 -25.2675 3.8671 557934.5804 1.1235 1.2304 PRESSURE: 2643000 -208.397 -9.84071 -191.464 -9.84028 -21.2725 -148.267 -191.464 -148.267 21.0062 GPRESSURE: 2643000 -197.365 81.0693 -110.131 -15.8811 -35.6501 -130.555 -223.473 -136.417 133.753 PRESSAVG: 2643000 -21.7152 30.8955 -20.0382 30.8955 -11.0351 -14.9074 -20.0383 -14.9074 -27.9453 GPRESSAVG: 2643000 -20.5212 31.9905 -19.0828 31.3596 -11.6901 -14.8995 -19.8454 -16.0763 -28.4587 TIMING: 2643000 CPU: 7877.84, 0.00299743/step Wall: 7877.84, 0.00299743/step, 1.96249 hours remaining, 206.000000 MB of memory in use. ENERGY: 2643000 752.1534 2106.6527 1959.5201 111.3749 -206302.4771 17808.8444 0.0000 0.0000 34317.5320 -149246.3996 299.7035 -183563.9317 -149145.2941 298.8365 -69.5544 -33.0873 557615.2938 -20.2318 -20.2233 PRESSURE: 2643200 131.892 -142.243 -133.609 -142.243 199.837 -225.347 -133.609 -225.347 43.6418 GPRESSURE: 2643200 211.041 -30.1027 -167.849 -137.593 247.024 -259.032 -10.1832 -224.856 11.1759 PRESSAVG: 2643200 42.8558 1.02042 -12.5716 1.02044 39.8501 -49.7215 -12.5716 -49.7215 -62.2622 GPRESSAVG: 2643200 42.549 -0.83847 -11.4204 1.78393 40.8634 -51.1142 -13.9762 -47.4628 -63.0318 TIMING: 2643200 CPU: 7878.44, 0.00302678/step Wall: 7878.44, 0.00302678/step, 1.98153 hours remaining, 206.000000 MB of memory in use. ENERGY: 2643200 740.6089 2110.7497 1937.8592 111.6082 -206632.6065 18067.8415 0.0000 0.0000 34370.9877 -149292.9515 300.1704 -183663.9392 -149192.3116 299.6082 125.1238 156.4137 556007.3218 6.8146 6.7935 PRESSURE: 2643400 -44.2499 -0.811172 79.6789 -0.811475 331.395 -0.849766 79.6795 -0.851441 -265.561 GPRESSURE: 2643400 39.6676 10.8156 78.0666 7.60738 363.233 42.1737 -26.0285 -63.9114 -283.157 PRESSAVG: 2643400 93.9227 26.1118 17.0338 26.1119 11.665 -42.248 17.0339 -42.248 -54.9059 GPRESSAVG: 2643400 93.8519 27.2464 17.7718 26.5478 11.7616 -41.6075 18.7837 -44.7563 -54.4145 TIMING: 2643400 CPU: 7879.04, 0.00299027/step Wall: 7879.04, 0.00299027/step, 1.95746 hours remaining, 206.000000 MB of memory in use. ENERGY: 2643400 765.3680 2138.5933 1931.8582 109.5844 -206364.3048 17895.7129 0.0000 0.0000 34449.7626 -149073.4254 300.8583 -183523.1880 -148976.6104 299.6524 7.1945 39.9147 556352.6188 16.8940 17.0663 PRESSURE: 2643600 164.369 -61.2624 -75.4081 -61.2636 76.5024 -80.0791 -75.4083 -80.0783 216.853 GPRESSURE: 2643600 248.192 -76.1828 -1.06484 -87.6375 68.1855 -52.6883 -128.795 -111.452 236.035 PRESSAVG: 2643600 13.7138 -16.2352 22.4934 -16.2352 6.52021 59.9034 22.4933 59.9034 -42.2181 GPRESSAVG: 2643600 14.8684 -17.5469 21.4529 -18.4434 6.0825 61.141 21.583 60.7302 -42.9311 TIMING: 2643600 CPU: 7879.65, 0.00301943/step Wall: 7879.65, 0.00301943/step, 1.97638 hours remaining, 206.000000 MB of memory in use. ENERGY: 2643600 761.0321 2106.6889 1959.8835 113.3247 -206115.5994 18072.7283 0.0000 0.0000 34126.2013 -148975.7406 298.0326 -183101.9419 -148881.6211 299.9222 152.5749 184.1373 557103.4076 -7.3280 -7.3267 PRESSURE: 2643800 13.1645 -71.0057 193.587 -71.0049 -257.084 -81.1106 193.589 -81.1096 -31.9391 GPRESSURE: 2643800 7.47282 76.7498 193.449 -167.907 -169.867 -45.49 172.931 -73.4742 -19.7385 PRESSAVG: 2643800 21.6253 -21.291 17.8946 -21.291 -15.6959 -42.0682 17.8946 -42.0682 9.59599 GPRESSAVG: 2643800 20.4404 -20.2741 18.3652 -20.11 -16.0812 -43.4348 17.7684 -41.2971 10.7053 TIMING: 2643800 CPU: 7880.25, 0.00302569/step Wall: 7880.25, 0.00302569/step, 1.98032 hours remaining, 206.000000 MB of memory in use. ENERGY: 2643800 712.1336 2116.4682 1932.6376 118.2491 -205822.5269 17584.5133 0.0000 0.0000 34398.4214 -148960.1038 300.4100 -183358.5252 -148868.0318 299.2190 -91.9529 -60.7108 559253.6685 5.1751 5.0215 PRESSURE: 2644000 -150.385 50.032 23.035 50.0311 -390.794 94.0928 23.0361 94.0935 -278.135 GPRESSURE: 2644000 -209.357 -51.248 91.1127 31.8894 -283.746 24.7731 -50.2988 104.091 -207.971 PRESSAVG: 2644000 13.156 3.03707 7.79235 3.03705 -16.656 -84.0085 7.79232 -84.0084 19.2335 GPRESSAVG: 2644000 12.018 1.71342 7.40716 2.4547 -15.3452 -83.6585 7.77937 -85.5522 19.7933 TIMING: 2644000 CPU: 7880.86, 0.00302874/step Wall: 7880.86, 0.00302874/step, 1.98214 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: 2644000 736.6923 2101.0536 1928.5109 115.2268 -205650.6631 17286.0802 0.0000 0.0000 34336.4164 -149146.6830 299.8685 -183483.0994 -149045.2206 299.1874 -273.1048 -233.6913 558278.6866 5.2445 5.4887 PRESSURE: 2644200 238.078 -225.266 -122.523 -225.266 -99.8605 -81.6652 -122.522 -81.6643 425.562 GPRESSURE: 2644200 205.998 -282.775 -133.918 -185.469 -15.6266 -106.201 -140.408 15.8633 464.089 PRESSAVG: 2644200 21.7486 -14.4014 12.4157 -14.4014 -89.2166 26.2565 12.4158 26.2565 41.0059 GPRESSAVG: 2644200 21.507 -14.9786 10.7104 -12.3285 -88.982 26.9046 15.422 25.6089 40.6142 TIMING: 2644200 CPU: 7881.46, 0.00301516/step Wall: 7881.46, 0.00301516/step, 1.97309 hours remaining, 206.000000 MB of memory in use. ENERGY: 2644200 726.3093 2104.7852 1942.6520 120.0526 -206265.7748 18119.8417 0.0000 0.0000 34036.7973 -149215.3367 297.2518 -183252.1340 -149118.1678 299.6537 187.9266 218.1533 557957.1915 -8.8207 -8.9536 LDB: ============= START OF LOAD BALANCING ============== 7884.89 LDB: ============== END OF LOAD BALANCING =============== 7884.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7884.89 LDB: ============= START OF LOAD BALANCING ============== 7885.19 LDB: Largest compute 4821 load 0.027839 is 23.6% of average load 0.118082 LDB: Average compute 0.001733 is 1.5% of average load 0.118082 LDB: TIME 7885.2 LOAD: AVG 0.118082 MAX 0.205082 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.543 MB LDB: TIME 7885.2 LOAD: AVG 0.118082 MAX 0.205082 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.543 MB LDB: TIME 7885.2 LOAD: AVG 0.118082 MAX 0.205082 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.543 MB LDB: ============== END OF LOAD BALANCING =============== 7885.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7885.2 PRESSURE: 2644400 -109.714 -44.6174 123.309 -44.6165 37.7718 -166.235 123.31 -166.234 90.1947 GPRESSURE: 2644400 -52.0162 -45.0008 118.649 -91.7582 15.5965 -196.025 19.3855 -195.78 164.917 PRESSAVG: 2644400 37.4859 -28.4213 32.1326 -28.4214 -40.7287 -21.3453 32.1327 -21.3452 17.9238 GPRESSAVG: 2644400 37.2791 -26.6085 35.2692 -30.6375 -40.4973 -20.4262 29.7195 -19.2424 17.6609 TIMING: 2644400 CPU: 7882.07, 0.00306741/step Wall: 7882.07, 0.00306741/step, 2.00711 hours remaining, 205.738281 MB of memory in use. ENERGY: 2644400 764.6424 2093.5396 1913.1807 104.0139 -206232.4336 18049.7778 0.0000 0.0000 34217.9812 -149089.2980 298.8341 -183307.2792 -148989.1101 299.0360 6.0843 42.8326 558543.3590 4.8937 4.8142 PRESSURE: 2644600 -181.297 108.328 109.575 108.328 -12.2426 211.957 109.576 211.957 -62.1515 GPRESSURE: 2644600 -246.398 113.291 131.01 152.22 26.1961 196.626 84.0237 205.44 69.968 PRESSAVG: 2644600 -7.13688 28.806 22.2975 28.8061 -24.1294 50.4583 22.2976 50.4583 14.9141 GPRESSAVG: 2644600 -6.76032 27.4957 22.8707 29.1807 -23.8189 48.9257 21.1993 49.7204 13.9983 TIMING: 2644600 CPU: 7882.68, 0.0030121/step Wall: 7882.68, 0.0030121/step, 1.97075 hours remaining, 205.738281 MB of memory in use. ENERGY: 2644600 762.8723 2069.5032 1981.8264 105.6333 -205874.6854 17680.7474 0.0000 0.0000 34253.1827 -149020.9201 299.1416 -183274.1028 -148929.9028 299.8734 -85.2304 -50.0780 558229.7854 -5.4507 -5.5270 PRESSURE: 2644800 -77.7848 53.546 -13.0322 53.5469 -329.354 -101.99 -13.0306 -101.989 -23.782 GPRESSURE: 2644800 -60.3973 67.2427 14.3349 33.3968 -231.033 -131.562 26.3414 -26.8422 -31.0951 PRESSAVG: 2644800 -61.118 -17.4914 48.2766 -17.4915 -3.38436 58.4558 48.2766 58.4558 33.5984 GPRESSAVG: 2644800 -61.8481 -17.4374 47.2684 -17.6941 -1.91851 58.7052 49.6992 59.2037 33.0163 TIMING: 2644800 CPU: 7883.28, 0.00299606/step Wall: 7883.28, 0.00299606/step, 1.96009 hours remaining, 205.738281 MB of memory in use. ENERGY: 2644800 740.1377 2034.6263 1951.9674 134.6669 -205991.2966 17524.0729 0.0000 0.0000 34518.6257 -149087.1996 301.4597 -183605.8254 -148990.8872 299.8151 -143.6403 -107.5083 557565.6978 -10.3013 -10.2501 PRESSURE: 2645000 -92.8774 95.4245 -32.5736 95.4244 -162.054 112.328 -32.5746 112.329 -24.6368 GPRESSURE: 2645000 -79.6534 121.829 -13.2978 29.0734 -124.575 94.775 -59.7606 152.745 21.4238 PRESSAVG: 2645000 69.3147 13.1215 -5.70725 13.1216 -34.7151 11.2197 -5.70721 11.2197 3.48315 GPRESSAVG: 2645000 69.8228 12.5059 -6.71813 13.2314 -36.4769 8.63268 -5.90304 12.612 4.76696 TIMING: 2645000 CPU: 7883.87, 0.00298648/step Wall: 7883.87, 0.00298648/step, 1.95365 hours remaining, 205.738281 MB of memory in use. ENERGY: 2645000 760.1581 2141.2804 1941.7937 117.9161 -205493.3948 17385.9425 0.0000 0.0000 34121.3034 -149025.0005 297.9898 -183146.3039 -148925.3428 300.5751 -93.1895 -60.9348 557922.0217 12.6942 12.7043 PRESSURE: 2645200 344.033 24.5965 39.1862 24.5968 225.004 57.3651 39.1863 57.3653 242.235 GPRESSURE: 2645200 392.624 98.1914 87.0502 69.0628 215.424 59.5034 -18.3499 -5.11817 301.322 PRESSAVG: 2645200 -22.3204 35.8796 -28.3492 35.8796 -40.8178 -37.114 -28.3492 -37.114 29.4687 GPRESSAVG: 2645200 -21.147 38.3486 -29.5292 35.9462 -41.1896 -33.4544 -28.3494 -39.5138 28.2789 TIMING: 2645200 CPU: 7884.47, 0.00299504/step Wall: 7884.47, 0.00299504/step, 1.95909 hours remaining, 205.738281 MB of memory in use. ENERGY: 2645200 730.4889 2139.8878 1935.3884 126.1909 -206672.4587 18264.9590 0.0000 0.0000 34458.8946 -149016.6490 300.9381 -183475.5436 -148916.8749 299.9107 270.4241 303.1233 555454.5096 -11.2232 -11.3526 PRESSURE: 2645400 -85.6607 -105.931 -109.102 -105.931 -72.8722 154.206 -109.103 154.207 -62.4919 GPRESSURE: 2645400 -73.5721 -121.598 -115.43 -50.8849 20.7427 30.6652 -146.704 222.201 -69.8615 PRESSAVG: 2645400 13.5134 -19.0337 65.8336 -19.0337 16.4496 -9.59709 65.8335 -9.59707 -9.5702 GPRESSAVG: 2645400 13.3534 -20.6341 67.3535 -17.768 17.21 -10.2568 65.6449 -9.76968 -9.63216 TIMING: 2645400 CPU: 7885.08, 0.00302189/step Wall: 7885.08, 0.00302189/step, 1.97649 hours remaining, 205.738281 MB of memory in use. ENERGY: 2645400 729.5211 2120.7303 1936.4047 110.8954 -205785.8254 17600.5290 0.0000 0.0000 34242.7544 -149044.9905 299.0505 -183287.7449 -148948.8826 299.8389 -73.6750 -40.8970 559042.6057 6.7976 6.9771 PRESSURE: 2645600 -14.4123 29.9872 184.001 29.9872 104.869 38.0743 184.002 38.0764 -73.4007 GPRESSURE: 2645600 53.375 96.6976 143.734 21.0404 56.5357 -11.1548 221.685 40.9276 10.9223 PRESSAVG: 2645600 -7.50868 -15.2453 78.4499 -15.2454 3.54241 54.2689 78.4499 54.2689 17.7191 GPRESSAVG: 2645600 -7.7198 -15.3864 78.0147 -17.7937 2.89191 52.3033 78.9892 53.9293 18.4673 TIMING: 2645600 CPU: 7885.68, 0.0030036/step Wall: 7885.68, 0.0030036/step, 1.96436 hours remaining, 205.738281 MB of memory in use. ENERGY: 2645600 713.7084 2078.7773 1904.1953 130.7337 -205803.5807 17519.0793 0.0000 0.0000 34443.9500 -149013.1367 300.8076 -183457.0867 -148912.7100 299.7712 5.6854 40.2777 557015.9397 4.5843 4.5465 PRESSURE: 2645800 118.569 -37.8749 85.9303 -37.874 -25.1859 39.6916 85.9316 39.6904 -143.077 GPRESSURE: 2645800 150.572 -95.0729 21.2026 109.872 -23.8491 1.33112 70.5142 -7.044 -79.5495 PRESSAVG: 2645800 5.34695 -30.4622 40.3535 -30.4623 -17.904 -3.21046 40.3535 -3.21031 -6.46976 GPRESSAVG: 2645800 5.37391 -29.6344 41.0143 -29.8249 -17.2474 -3.2843 39.4676 -2.16982 -7.10914 TIMING: 2645800 CPU: 7886.28, 0.00301407/step Wall: 7886.28, 0.00301407/step, 1.97103 hours remaining, 205.738281 MB of memory in use. ENERGY: 2645800 719.4590 2151.3181 1928.8340 114.8105 -206293.2444 17849.5001 0.0000 0.0000 34429.5123 -149099.8104 300.6815 -183529.3227 -149008.4219 299.7873 -16.5646 15.7244 557878.9027 -6.3423 -6.3275 PRESSURE: 2646000 209.406 -80.7585 -87.1 -80.7578 -96.4982 96.2247 -87.1009 96.2246 -133.44 GPRESSURE: 2646000 194.242 -159.883 -27.6252 -52.8243 -34.2402 -54.3082 -116.317 207.763 -82.9366 PRESSAVG: 2646000 50.4445 -44.9318 -28.0894 -44.9318 3.53446 -13.5749 -28.0894 -13.5749 17.0025 GPRESSAVG: 2646000 50.53 -43.5906 -30.459 -43.9297 4.00675 -10.1872 -26.233 -14.9504 16.7575 TIMING: 2646000 CPU: 7886.88, 0.00302535/step Wall: 7886.88, 0.00302535/step, 1.97824 hours remaining, 205.738281 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: 2646000 750.2132 2157.4913 1951.2018 123.3820 -205998.6157 17692.5473 0.0000 0.0000 34147.8689 -149175.9112 298.2218 -183323.7801 -149078.6793 300.0307 -6.8438 25.6883 556593.2063 23.6605 23.7647 PRESSURE: 2646200 -331.864 -28.613 2.12892 -28.6118 -40.4787 -219.117 2.12968 -219.118 256.893 GPRESSURE: 2646200 -291.078 -34.3597 31.1573 -49.0781 0.0357337 -205.384 -107.337 -351.321 278.777 PRESSAVG: 2646200 -17.4651 -39.5895 -49.9155 -39.5895 -63.8353 22.9631 -49.9154 22.963 56.0432 GPRESSAVG: 2646200 -18.0043 -40.5685 -49.4097 -39.018 -62.376 21.1404 -49.915 22.9089 55.703 TIMING: 2646200 CPU: 7887.49, 0.00303758/step Wall: 7887.49, 0.00303758/step, 1.98607 hours remaining, 205.738281 MB of memory in use. ENERGY: 2646200 729.5040 2054.5993 1945.2827 107.5085 -206225.2985 17772.8477 0.0000 0.0000 34266.1630 -149349.3934 299.2549 -183615.5564 -149254.3259 299.1552 -38.4834 -4.0884 557644.7217 -8.4191 -8.2258 PRESSURE: 2646400 239.959 22.4518 -7.88356 22.4522 -99.1353 -50.1514 -7.88493 -50.1537 136.802 GPRESSURE: 2646400 304.516 -1.39995 24.402 57.8076 -90.999 -68.3435 -38.9027 -75.6197 161.883 PRESSAVG: 2646400 24.4892 -6.82726 -23.4762 -6.82727 -55.3451 -1.63147 -23.4761 -1.63145 19.239 GPRESSAVG: 2646400 25.4226 -8.10972 -22.2565 -5.79676 -56.2694 -1.21843 -23.9188 -0.772326 19.8886 TIMING: 2646400 CPU: 7888.09, 0.00299977/step Wall: 7888.09, 0.00299977/step, 1.96118 hours remaining, 205.738281 MB of memory in use. ENERGY: 2646400 740.0597 2110.8279 1967.5377 111.9802 -206430.1927 17921.5432 0.0000 0.0000 34146.6833 -149431.5608 298.2115 -183578.2441 -149327.5148 299.0398 92.5418 125.1331 556796.4837 -3.8723 -3.6528 PRESSURE: 2646600 451.27 -10.2062 35.9742 -10.2053 146.139 -100.93 35.9747 -100.93 264.101 GPRESSURE: 2646600 508.431 48.2905 15.2482 -28.8084 152.048 -96.6069 82.9548 -144.2 290.372 PRESSAVG: 2646600 12.4027 7.03487 3.24941 7.03493 12.9665 -46.6969 3.24946 -46.6967 33.5269 GPRESSAVG: 2646600 13.0073 10.5195 1.91076 4.30704 11.9827 -46.6378 2.27291 -47.1972 34.5666 TIMING: 2646600 CPU: 7888.69, 0.00301514/step Wall: 7888.69, 0.00301514/step, 1.97106 hours remaining, 205.738281 MB of memory in use. ENERGY: 2646600 727.3943 2048.3464 1970.4976 102.8411 -206665.9288 18225.5185 0.0000 0.0000 34332.5190 -149258.8119 299.8344 -183591.3309 -149162.9824 298.8826 287.1703 316.9504 556799.6969 19.6320 19.8522 PRESSURE: 2646800 -52.0465 55.778 -44.8905 55.7779 -103.939 115.045 -44.8927 115.044 -12.4968 GPRESSURE: 2646800 -7.52806 1.7121 -79.1497 19.1492 -47.7918 179.008 42.2457 108.405 -5.39587 PRESSAVG: 2646800 72.4818 38.2362 -80.7667 38.2363 -93.6236 19.2872 -80.7666 19.2871 41.2965 GPRESSAVG: 2646800 72.514 34.7893 -80.2412 38.4706 -93.2329 21.1489 -79.1567 16.5386 40.6733 TIMING: 2646800 CPU: 7889.3, 0.0030289/step Wall: 7889.3, 0.0030289/step, 1.97989 hours remaining, 205.738281 MB of memory in use. ENERGY: 2646800 738.4519 2143.7581 1944.0467 119.9578 -206219.9189 17750.9440 0.0000 0.0000 34191.0644 -149331.6960 298.5991 -183522.7603 -149229.3938 298.9478 -56.1608 -20.2386 559083.9714 6.7182 6.6515 PRESSURE: 2647000 -196.348 213.272 -211.298 213.273 -113.919 93.3203 -211.298 93.322 -74.8042 GPRESSURE: 2647000 -175.819 138.979 -160.324 206.153 -51.6686 -3.13932 -245.733 100.304 -56.4064 PRESSAVG: 2647000 -33.4672 -36.2963 -30.6205 -36.2964 15.2522 29.9901 -30.6204 29.9902 42.6567 GPRESSAVG: 2647000 -34.0172 -36.1089 -29.9893 -34.7012 15.2684 27.2597 -33.553 33.7161 43.0976 TIMING: 2647000 CPU: 7889.9, 0.00300637/step Wall: 7889.9, 0.00300637/step, 1.965 hours remaining, 205.738281 MB of memory in use. ENERGY: 2647000 734.2674 2104.7191 1943.2993 128.6957 -206019.4455 17599.7202 0.0000 0.0000 34145.8040 -149362.9398 298.2038 -183508.7437 -149269.1204 298.7418 -128.3569 -94.6315 558135.3357 8.1473 8.1163 PRESSURE: 2647200 -21.6624 -21.4357 42.8498 -21.4358 -40.621 85.6367 42.8511 85.6353 90.0917 GPRESSURE: 2647200 -49.7643 -47.6155 96.5873 -68.7732 -6.6502 18.24 20.1692 103.464 178.048 PRESSAVG: 2647200 -29.5157 -22.8393 -52.8054 -22.8394 -38.3423 -9.74006 -52.8053 -9.74 39.2648 GPRESSAVG: 2647200 -29.7577 -21.678 -53.3449 -24.1578 -39.1359 -7.02886 -52.5757 -13.0946 39.6071 TIMING: 2647200 CPU: 7890.51, 0.00303204/step Wall: 7890.51, 0.00303204/step, 1.9816 hours remaining, 205.738281 MB of memory in use. ENERGY: 2647200 753.5407 2132.6865 1942.6818 111.9637 -206416.1774 17890.5410 0.0000 0.0000 34336.8058 -149247.9578 299.8719 -183584.7636 -149151.4262 299.0213 9.2694 40.5444 556798.1504 -9.5311 -9.7621 PRESSURE: 2647400 -77.6926 -49.4655 -41.3456 -49.4659 -81.9894 -21.8587 -41.3445 -21.8603 72.9595 GPRESSURE: 2647400 -74.4724 88.4698 -45.0518 -71.1075 -5.59317 0.155141 28.5022 23.1565 85.984 PRESSAVG: 2647400 59.5439 3.10876 3.60681 3.10873 -40.0677 54.4681 3.6068 54.4681 -52.94 GPRESSAVG: 2647400 59.6912 4.20682 3.52717 1.83391 -39.8303 53.6859 4.96678 57.1199 -53.6236 TIMING: 2647400 CPU: 7891.11, 0.00302764/step Wall: 7891.11, 0.00302764/step, 1.97857 hours remaining, 205.738281 MB of memory in use. ENERGY: 2647400 746.9148 2085.1815 1936.8744 114.1520 -206305.2822 17678.6012 0.0000 0.0000 34491.7489 -149251.8093 301.2250 -183743.5582 -149155.5093 299.2701 -28.9075 1.9728 556633.2980 -11.1546 -11.2542 PRESSURE: 2647600 -171.27 252.299 66.2439 252.299 -111.943 -49.7698 66.2431 -49.77 -115.931 GPRESSURE: 2647600 -110.379 249.905 116.693 196.127 -94.0254 -148.902 20.1739 44.3413 -104.419 PRESSAVG: 2647600 -2.2034 -29.3246 -15.407 -29.3246 -21.5108 27.3335 -15.4071 27.3335 26.2419 GPRESSAVG: 2647600 -2.6071 -29.1892 -16.528 -28.1775 -20.1183 27.8172 -14.8413 25.895 25.3362 TIMING: 2647600 CPU: 7891.72, 0.00300662/step Wall: 7891.72, 0.00300662/step, 1.96466 hours remaining, 205.738281 MB of memory in use. ENERGY: 2647600 740.3452 2164.9335 1955.8125 117.8657 -206314.3440 17741.1010 0.0000 0.0000 34327.5948 -149266.6914 299.7914 -183594.2863 -149171.4507 299.6063 -133.0480 -102.9411 557384.8519 0.8425 0.8703 PRESSURE: 2647800 -125.484 -39.0423 260.807 -39.0413 -78.0119 25.291 260.806 25.2896 265.38 GPRESSURE: 2647800 -37.8486 -81.484 211.209 94.0247 -35.5636 125.804 191.897 29.947 235.572 PRESSAVG: 2647800 48.0758 46.1477 -6.59259 46.1477 -34.9323 6.12507 -6.59254 6.12498 -11.4289 GPRESSAVG: 2647800 48.9298 45.0998 -6.77452 44.8467 -36.1194 4.02328 -7.71145 8.12717 -11.0205 TIMING: 2647800 CPU: 7892.32, 0.00300152/step Wall: 7892.32, 0.00300152/step, 1.96116 hours remaining, 205.738281 MB of memory in use. ENERGY: 2647800 752.6706 2162.7754 1960.5051 117.0044 -206154.7476 17652.8673 0.0000 0.0000 34167.5223 -149341.4025 298.3935 -183508.9248 -149244.3251 299.5032 20.6282 54.0534 556331.3268 0.5715 0.5966 PRESSURE: 2648000 207.903 -19.5398 170.677 -19.5374 89.1467 97.1236 170.676 97.1224 275.427 GPRESSURE: 2648000 216.172 -19.7543 153.813 -134.74 162.156 68.312 163.976 113.855 288.764 PRESSAVG: 2648000 62.3232 -5.93178 43.8396 -5.93175 -62.8624 41.9597 43.8397 41.9595 43.1534 GPRESSAVG: 2648000 61.5468 -5.69929 45.2228 -5.36181 -62.6009 43.2186 45.0794 39.4001 42.9921 TIMING: 2648000 CPU: 7892.92, 0.00300388/step Wall: 7892.92, 0.00300388/step, 1.96253 hours remaining, 205.738281 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: 2648000 716.4291 2102.7447 1971.4300 113.5542 -206464.2179 18003.0399 0.0000 0.0000 34300.3728 -149256.6472 299.5537 -183557.0200 -149157.3352 299.6671 190.8255 222.3640 557082.3087 14.2047 13.9794 PRESSURE: 2648200 -85.8772 48.3567 -118.351 48.3582 -9.25846 17.9693 -118.351 17.9687 33.8578 GPRESSURE: 2648200 -63.9221 32.6173 -58.1178 67.967 71.3166 79.2173 -150.808 -18.1486 18.3466 PRESSAVG: 2648200 10.4233 -52.5298 1.19595 -52.5298 -68.2028 103.714 1.1959 103.714 30.7329 GPRESSAVG: 2648200 9.52493 -52.3712 1.09007 -50.8241 -66.8759 103.165 2.86928 103.86 30.0905 TIMING: 2648200 CPU: 7893.52, 0.00299431/step Wall: 7893.52, 0.00299431/step, 1.95612 hours remaining, 205.738281 MB of memory in use. ENERGY: 2648200 733.7544 2139.3054 1980.7213 110.8873 -206472.7096 17925.1095 0.0000 0.0000 34260.7436 -149322.1881 299.2076 -183582.9317 -149229.2790 299.4184 -20.4260 8.5803 558464.1601 -9.0156 -9.0868 LDB: ============= START OF LOAD BALANCING ============== 7896.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7896.95 LDB: =============== DONE WITH MIGRATION ================ 7896.95 LDB: ============= START OF LOAD BALANCING ============== 7897.25 LDB: Largest compute 4821 load 0.027326 is 23.2% of average load 0.118028 LDB: Average compute 0.001724 is 1.5% of average load 0.118028 LDB: TIME 7897.25 LOAD: AVG 0.118028 MAX 0.206354 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.539 MB LDB: TIME 7897.25 LOAD: AVG 0.118028 MAX 0.206354 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.742 MB LDB: TIME 7897.25 LOAD: AVG 0.118028 MAX 0.206354 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.742 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7897.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7897.26 PRESSURE: 2648400 -29.9504 26.5157 -4.52527 26.5149 328.849 78.5522 -4.52452 78.5509 74.2277 GPRESSURE: 2648400 -7.11101 35.8388 -0.606421 37.7562 327.794 189.189 3.2676 89.7799 132.301 PRESSAVG: 2648400 3.14843 -7.88449 0.726795 -7.88458 -32.3816 30.199 0.726717 30.1989 19.0843 GPRESSAVG: 2648400 4.50773 -7.09721 0.792119 -10.4809 -33.1682 30.569 -0.988026 30.7526 18.9505 TIMING: 2648400 CPU: 7894.13, 0.00307713/step Wall: 7894.13, 0.00307713/step, 2.01005 hours remaining, 206.199219 MB of memory in use. ENERGY: 2648400 741.0948 2133.9794 1954.5335 115.7334 -206520.4619 18122.2936 0.0000 0.0000 34206.5315 -149246.2957 298.7341 -183452.8272 -149147.8133 298.7888 124.3755 150.9948 557631.1228 -3.3830 -3.2367 PRESSURE: 2648600 -15.3692 21.6599 73.1341 21.6597 -227.954 -274.11 73.1328 -274.11 -195.33 GPRESSURE: 2648600 -90.0312 -50.1693 80.5947 109.728 -146.273 -310.707 121.732 -223.257 -111.164 PRESSAVG: 2648600 -15.457 15.8684 73.3334 15.8683 0.79713 -10.9501 73.3335 -10.9501 -5.9095 GPRESSAVG: 2648600 -15.1941 13.6182 76.0159 18.5813 -0.0621199 -10.8906 72.4584 -9.35743 -5.74736 TIMING: 2648600 CPU: 7894.74, 0.00302278/step Wall: 7894.74, 0.00302278/step, 1.97438 hours remaining, 206.199219 MB of memory in use. ENERGY: 2648600 782.6461 2156.9973 1976.5569 118.1049 -206356.8074 17671.0031 0.0000 0.0000 34317.6913 -149333.8078 299.7049 -183651.4992 -149234.1559 299.3600 -146.2178 -115.8227 556638.9263 -6.8564 -7.0012 PRESSURE: 2648800 76.1936 150.726 66.3813 150.726 -179.076 25.0256 66.3817 25.0238 -64.2935 GPRESSURE: 2648800 90.5162 41.3501 83.7167 239.625 -106.826 -97.209 36.3357 73.5801 -57.8188 PRESSAVG: 2648800 28.3319 -7.1279 29.5517 -7.12791 28.4491 -79.163 29.5516 -79.163 -38.1581 GPRESSAVG: 2648800 29.1435 -6.774 26.1304 -8.38609 27.5558 -80.9273 28.4405 -80.0552 -38.5399 TIMING: 2648800 CPU: 7895.34, 0.00302199/step Wall: 7895.34, 0.00302199/step, 1.9737 hours remaining, 206.265625 MB of memory in use. ENERGY: 2648800 757.8630 2115.5583 1980.9392 116.7781 -206511.1561 17857.7734 0.0000 0.0000 34246.5707 -149435.6733 299.0838 -183682.2440 -149343.1157 298.9803 -55.7253 -24.7096 556522.7065 6.2077 6.0531 PRESSURE: 2649000 -254.898 206.257 14.7324 206.257 -85.7943 -60.4606 14.7329 -60.4616 -128.508 GPRESSURE: 2649000 -209.729 258.487 3.20426 98.7235 -39.8311 -7.06413 3.08814 -47.0301 -126.388 PRESSAVG: 2649000 -31.3099 52.0552 23.3127 52.0551 1.8374 -43.4393 23.3127 -43.4393 -28.2965 GPRESSAVG: 2649000 -32.8203 52.6507 24.4468 50.1105 3.13705 -41.3384 23.716 -44.3987 -27.9933 TIMING: 2649000 CPU: 7895.94, 0.00301653/step Wall: 7895.94, 0.00301653/step, 1.96996 hours remaining, 206.265625 MB of memory in use. ENERGY: 2649000 791.1147 2163.3729 1968.6013 112.1411 -206538.7687 17804.5314 0.0000 0.0000 34288.6916 -149410.3157 299.4517 -183699.0073 -149318.2525 298.3474 -156.4001 -125.3159 557254.5921 -19.2563 -19.2255 PRESSURE: 2649200 -190.26 88.6369 69.1647 88.6373 61.695 -93.7598 69.1644 -93.7605 -165.775 GPRESSURE: 2649200 -118.374 38.9469 58.3664 150.525 110.626 -128.064 124.246 -28.9433 -187.889 PRESSAVG: 2649200 -30.3357 33.2204 -12.9495 33.2203 31.4153 -33.6775 -12.9495 -33.6777 -11.1122 GPRESSAVG: 2649200 -29.9918 32.1374 -12.5343 36.9077 31.255 -33.143 -14.6797 -32.1625 -11.3274 TIMING: 2649200 CPU: 7896.54, 0.00300467/step Wall: 7896.54, 0.00300467/step, 1.96205 hours remaining, 206.265625 MB of memory in use. ENERGY: 2649200 755.6894 2079.5770 1927.1794 119.8305 -206204.6443 17659.6756 0.0000 0.0000 34363.5433 -149299.1491 300.1054 -183662.6924 -149211.1601 298.4612 -98.1132 -65.2125 557495.8569 -3.3442 -3.3547 PRESSURE: 2649400 -170.895 -121.189 112.16 -121.188 21.1912 -104.124 112.159 -104.125 88.6474 GPRESSURE: 2649400 -103.448 -184.473 91.1028 -33.7368 47.2637 -75.2374 99.8544 -115.969 87.9982 PRESSAVG: 2649400 -36.3315 42.4522 -12.2523 42.4522 25.7906 -9.4431 -12.2522 -9.44306 30.4946 GPRESSAVG: 2649400 -35.95 42.4341 -12.0952 42.0899 25.1222 -9.45556 -10.0231 -10.0489 30.7997 TIMING: 2649400 CPU: 7897.14, 0.00299809/step Wall: 7897.14, 0.00299809/step, 1.95759 hours remaining, 206.265625 MB of memory in use. ENERGY: 2649400 743.3819 2045.4151 1952.3301 106.4071 -206098.3608 17722.7881 0.0000 0.0000 34187.3148 -149340.7237 298.5663 -183528.0385 -149237.5522 298.8791 -20.3522 10.6048 557758.4721 6.6513 6.6573 PRESSURE: 2649600 -23.6385 106.838 -112.558 106.839 -135.732 192.14 -112.557 192.14 -154.234 GPRESSURE: 2649600 10.5963 118.04 -141.949 140.67 -90.2188 275.959 -62.9559 200.906 -133.443 PRESSAVG: 2649600 -4.57922 45.107 7.58584 45.107 -69.2402 34.2284 7.58584 34.2284 36.7264 GPRESSAVG: 2649600 -4.17519 46.3875 7.43809 44.0613 -68.9441 33.9291 8.73501 35.6549 36.2958 TIMING: 2649600 CPU: 7897.73, 0.00295569/step Wall: 7897.73, 0.00295569/step, 1.92974 hours remaining, 206.265625 MB of memory in use. ENERGY: 2649600 716.9429 2086.9129 1967.4570 110.4094 -206289.7336 17712.6605 0.0000 0.0000 34395.3422 -149300.0088 300.3831 -183695.3510 -149199.0911 298.6207 -104.5348 -71.0218 558689.5079 -12.3644 -12.2745 PRESSURE: 2649800 -25.1601 -131.732 41.4655 -131.731 -192.961 -89.1321 41.4645 -89.1321 27.0754 GPRESSURE: 2649800 -7.51551 -101.155 68.6653 -104.97 -154.723 -182.986 -5.08335 -92.7821 68.6326 PRESSAVG: 2649800 126.952 15.8538 6.52383 15.8538 -63.0066 9.51911 6.52385 9.51908 5.03649 GPRESSAVG: 2649800 126.788 14.8365 5.15739 16.7343 -64.6514 9.73603 2.73792 8.03662 6.76234 TIMING: 2649800 CPU: 7898.33, 0.00296337/step Wall: 7898.33, 0.00296337/step, 1.93459 hours remaining, 206.265625 MB of memory in use. ENERGY: 2649800 740.4497 2126.5281 1942.4744 106.2109 -205909.1552 17569.5267 0.0000 0.0000 34049.4516 -149374.5140 297.3623 -183423.9656 -149283.5421 299.1615 -63.6820 -31.2019 557447.2658 22.9938 22.9662 PRESSURE: 2650000 135.491 4.38134 -189.524 4.3801 253.55 173.517 -189.523 173.516 -232.082 GPRESSURE: 2650000 165.243 42.5587 -164.301 -56.9153 241.178 155.878 -182.395 115.422 -150.679 PRESSAVG: 2650000 62.7326 -19.0122 -24.4575 -19.0122 -12.8673 37.0225 -24.4575 37.0223 -26.8214 GPRESSAVG: 2650000 64.5147 -18.8391 -23.2253 -18.8843 -12.2751 36.4741 -22.4966 37.1314 -28.2647 TIMING: 2650000 CPU: 7898.92, 0.00296255/step Wall: 7898.92, 0.00296255/step, 1.93389 hours remaining, 206.265625 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: 2650000 744.3650 2059.3149 1944.1248 113.4638 -206323.3490 17813.1147 0.0000 0.0000 34270.9101 -149378.0556 299.2964 -183648.9657 -149278.1151 298.5673 52.3195 85.2476 555901.7541 7.6813 7.9916 PRESSURE: 2650200 15.4122 -86.6118 24.621 -86.6112 -350.934 94.0269 24.6204 94.0284 -274.922 GPRESSURE: 2650200 49.5876 -124.398 30.3191 -33.6642 -269.982 -57.4051 6.17149 141.729 -286.126 PRESSAVG: 2650200 -19.9063 19.3273 -6.87426 19.3273 35.9966 18.3076 -6.87426 18.3076 -13.7949 GPRESSAVG: 2650200 -21.267 19.5258 -7.49542 18.3814 37.2888 19.3558 -6.65584 18.1434 -13.5416 TIMING: 2650200 CPU: 7899.51, 0.00297604/step Wall: 7899.51, 0.00297604/step, 1.94253 hours remaining, 206.265625 MB of memory in use. ENERGY: 2650200 768.1729 2143.7216 1934.4174 120.7577 -205866.7478 17484.0954 0.0000 0.0000 34046.4644 -149369.1183 297.3362 -183415.5827 -149272.3929 298.6945 -203.4813 -168.8402 557242.5628 0.7652 0.8267 PRESSURE: 2650400 -219.501 -33.6495 -13.3869 -33.6506 12.2 -141.864 -13.3872 -141.866 -172.285 GPRESSURE: 2650400 -173.208 47.0717 -8.53486 -89.3198 34.0064 -120.554 -43.3533 -162.071 -140.353 PRESSAVG: 2650400 6.93428 -0.6649 47.9702 -0.664971 -39.4254 -28.9676 47.9702 -28.9676 56.9724 GPRESSAVG: 2650400 6.77518 -2.39068 46.2178 0.098718 -39.0547 -27.648 49.9028 -29.089 56.7494 TIMING: 2650400 CPU: 7900.12, 0.00301215/step Wall: 7900.12, 0.00301215/step, 1.96593 hours remaining, 206.265625 MB of memory in use. ENERGY: 2650400 766.2255 2073.0240 1963.0946 108.0150 -206329.2413 17784.3531 0.0000 0.0000 34206.7849 -149427.7442 298.7364 -183634.5291 -149334.2666 298.5596 -126.5285 -93.1850 557131.3247 8.1604 8.1567 PRESSURE: 2650600 57.7711 -22.3648 30.7088 -22.3656 -187.188 7.18678 30.7095 7.18942 45.4707 GPRESSURE: 2650600 53.9066 -32.3847 52.3085 39.9029 -172.212 76.3565 50.7636 -63.6218 127.819 PRESSAVG: 2650600 2.9366 32.9083 -14.0379 32.9082 13.5605 10.06 -14.0379 10.0601 -3.62188 GPRESSAVG: 2650600 3.18065 34.3645 -12.9008 33.872 12.953 5.93316 -16.833 11.0869 -3.21878 TIMING: 2650600 CPU: 7900.72, 0.00300662/step Wall: 7900.72, 0.00300662/step, 1.96215 hours remaining, 206.265625 MB of memory in use. ENERGY: 2650600 739.2297 2136.2268 1948.4780 97.3531 -205800.0157 17641.2477 0.0000 0.0000 33941.7402 -149295.7401 296.4217 -183237.4803 -149195.8469 298.5172 -27.9821 3.1714 558022.2284 4.2917 4.3050 PRESSURE: 2650800 99.7048 -106.352 26.7807 -106.352 130.049 34.2102 26.7827 34.212 99.8973 GPRESSURE: 2650800 125.761 -129.224 35.7727 -119.31 135.082 50.7728 -43.2397 77.2198 159.283 PRESSAVG: 2650800 33.8035 -6.81688 -5.00955 -6.81697 -33.4347 1.31431 -5.00954 1.31433 17.7727 GPRESSAVG: 2650800 32.6839 -7.99045 -6.81109 -6.76625 -33.4428 2.1109 -3.56891 1.2854 18.7492 TIMING: 2650800 CPU: 7901.32, 0.00300041/step Wall: 7901.32, 0.00300041/step, 1.95793 hours remaining, 206.265625 MB of memory in use. ENERGY: 2650800 744.6936 2115.2162 1947.9064 114.2861 -206054.0367 17833.7179 0.0000 0.0000 34057.3074 -149240.9091 297.4309 -183298.2165 -149134.1321 299.2057 109.8836 140.0421 556094.5435 6.0472 5.9968 PRESSURE: 2651000 72.35 -56.6935 56.7334 -56.6938 -210.646 -139.58 56.7339 -139.58 71.5943 GPRESSURE: 2651000 87.2477 -94.6239 85.7494 -62.351 -103.572 -162.336 169.613 -102.345 40.8144 PRESSAVG: 2651000 31.2478 -14.2438 52.6143 -14.2438 23.9078 59.1779 52.6145 59.1778 -42.777 GPRESSAVG: 2651000 31.8156 -13.7902 54.0011 -15.8711 24.2722 59.8451 52.7686 58.9092 -43.5678 TIMING: 2651000 CPU: 7901.91, 0.00294973/step Wall: 7901.91, 0.00294973/step, 1.9247 hours remaining, 206.265625 MB of memory in use. ENERGY: 2651000 727.9611 2104.2448 1943.8180 110.8808 -206095.0135 17698.2919 0.0000 0.0000 34208.4394 -149301.3774 298.7508 -183509.8168 -149208.2676 298.8631 -22.2340 8.1635 556842.4523 4.1262 4.1733 PRESSURE: 2651200 -265.861 -226.271 113.872 -226.271 -0.471336 -158.982 113.872 -158.982 89.3986 GPRESSURE: 2651200 -194.743 -149.519 115.55 -296.489 42.4746 -95.8678 128.082 -157.052 79.679 PRESSAVG: 2651200 -1.84177 -11.5853 69.8189 -11.5853 -33.1785 -32.2047 69.8189 -32.2048 24.4291 GPRESSAVG: 2651200 -0.845625 -10.9042 70.0882 -10.097 -33.931 -33.3259 69.126 -32.0263 24.4343 TIMING: 2651200 CPU: 7902.5, 0.00297856/step Wall: 7902.5, 0.00297856/step, 1.94335 hours remaining, 206.265625 MB of memory in use. ENERGY: 2651200 741.7570 2110.8043 1922.3449 120.6410 -205721.1861 17472.6529 0.0000 0.0000 34223.2644 -149129.7216 298.8803 -183352.9860 -149022.9517 299.0564 -58.9778 -24.1966 558443.3237 -3.5304 -3.4474 PRESSURE: 2651400 207.735 25.609 64.9813 25.6101 171.914 108.516 64.9806 108.515 204.299 GPRESSURE: 2651400 223.78 86.1436 101.297 -50.9139 176.515 125.165 60.0818 128.177 271.787 PRESSAVG: 2651400 -9.89835 -69.1451 10.4856 -69.1451 -14.0333 -21.3424 10.4856 -21.3425 16.577 GPRESSAVG: 2651400 -10.4614 -68.4739 9.94407 -72.1379 -12.9105 -17.8555 10.4504 -21.6356 16.0029 TIMING: 2651400 CPU: 7903.1, 0.0029981/step Wall: 7903.1, 0.0029981/step, 1.95593 hours remaining, 206.265625 MB of memory in use. ENERGY: 2651400 712.1434 2114.7405 1977.1984 121.6387 -206286.0426 17938.9298 0.0000 0.0000 34372.2310 -149049.1608 300.1812 -183421.3918 -148958.2654 299.9003 194.6494 224.0274 558117.9957 -2.4515 -2.4563 PRESSURE: 2651600 -25.348 159.997 -210.347 159.997 162.005 -123.44 -210.347 -123.44 -196.715 GPRESSURE: 2651600 -38.7484 221.645 -199.138 138.392 153.383 -60.029 -235.062 -87.2957 -85.1196 PRESSAVG: 2651600 -19.727 -6.3326 4.2037 -6.33257 4.11577 -6.67133 4.20369 -6.67145 43.5529 GPRESSAVG: 2651600 -20.6177 -5.71407 2.6912 -4.70422 2.63715 -10.4125 4.09725 -6.4136 45.797 TIMING: 2651600 CPU: 7903.71, 0.00302463/step Wall: 7903.71, 0.00302463/step, 1.97307 hours remaining, 206.265625 MB of memory in use. ENERGY: 2651600 726.9121 2117.9787 1961.2842 106.9874 -206308.3309 17836.8891 0.0000 0.0000 34556.6820 -149001.5975 301.7921 -183558.2795 -148907.8838 300.4825 -20.0193 9.8384 556957.6197 9.3139 9.2721 PRESSURE: 2651800 110.167 41.3021 72.3061 41.3033 280.324 96.4357 72.306 96.4342 -10.3481 GPRESSURE: 2651800 129.149 95.8171 152.368 61.5978 329.166 144.391 68.6531 82.9014 15.2668 PRESSAVG: 2651800 8.54269 62.2325 10.9737 62.2326 53.8588 16.2288 10.9738 16.2288 -24.4382 GPRESSAVG: 2651800 8.58348 62.1759 11.6176 63.2565 54.3843 17.4796 9.47231 15.667 -24.7886 TIMING: 2651800 CPU: 7904.31, 0.00299181/step Wall: 7904.31, 0.00299181/step, 1.95149 hours remaining, 206.265625 MB of memory in use. ENERGY: 2651800 730.4913 2101.2854 1948.0055 96.8044 -206459.1239 17936.3534 0.0000 0.0000 34509.6944 -149136.4895 301.3817 -183646.1838 -149036.3494 300.1360 126.7142 157.8607 556721.2257 12.6544 12.7264 PRESSURE: 2652000 -36.027 139.884 -48.5605 139.882 -44.9132 -50.5505 -48.5601 -50.5503 -248.083 GPRESSURE: 2652000 -51.289 160.401 -86.5491 141.64 35.3047 -83.1937 11.3753 -62.3709 -209.346 PRESSAVG: 2652000 -23.7765 21.77 15.2409 21.77 12.5605 16.2829 15.2409 16.2829 -14.0046 GPRESSAVG: 2652000 -24.2294 21.2951 16.5889 20.8616 11.8983 17.2146 15.7715 16.0118 -13.5142 TIMING: 2652000 CPU: 7904.9, 0.00296323/step Wall: 7904.9, 0.00296323/step, 1.93269 hours remaining, 206.265625 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: 2652000 749.8948 2133.4710 1958.1993 118.4663 -206035.8151 17688.1432 0.0000 0.0000 34215.4397 -149172.2009 298.8119 -183387.6406 -149077.7438 299.7879 -109.6744 -75.1100 555816.8870 -8.4069 -8.6151 PRESSURE: 2652200 -202.464 66.6761 -48.7973 66.6767 -237.184 -9.79332 -48.7966 -9.79276 86.7577 GPRESSURE: 2652200 -203.394 -29.5767 -17.6585 21.0762 -205.737 -42.0663 -66.0812 4.1051 147.057 PRESSAVG: 2652200 17.5773 -26.2053 3.34692 -26.2053 29.8705 19.3927 3.34689 19.3928 -7.8714 GPRESSAVG: 2652200 19.291 -27.6148 3.4445 -25.6412 28.9286 18.2748 1.7669 20.2425 -8.49254 TIMING: 2652200 CPU: 7905.49, 0.00296537/step Wall: 7905.49, 0.00296537/step, 1.93392 hours remaining, 206.265625 MB of memory in use. ENERGY: 2652200 759.5245 2146.1827 1948.9977 110.7766 -206038.5821 17565.5857 0.0000 0.0000 34325.0469 -149182.4680 299.7692 -183507.5149 -149079.2089 299.4095 -117.6302 -87.3579 557575.0395 13.1921 13.2424 LDB: ============= START OF LOAD BALANCING ============== 7908.92 LDB: ============== END OF LOAD BALANCING =============== 7908.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7908.92 LDB: ============= START OF LOAD BALANCING ============== 7909.22 LDB: Largest compute 4821 load 0.028663 is 24.3% of average load 0.117983 LDB: Average compute 0.001732 is 1.5% of average load 0.117983 LDB: TIME 7909.22 LOAD: AVG 0.117983 MAX 0.202205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 7909.22 LOAD: AVG 0.117983 MAX 0.202205 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: TIME 7909.22 LOAD: AVG 0.117983 MAX 0.202205 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: ============== END OF LOAD BALANCING =============== 7909.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7909.23 PRESSURE: 2652400 -8.12042 93.2938 119.41 93.2937 -97.9586 -74.8047 119.409 -74.8059 -20.4633 GPRESSURE: 2652400 3.93731 10.5164 19.3443 26.4111 -71.2823 -16.9677 122.265 -64.9608 44.5222 PRESSAVG: 2652400 -4.45876 -5.88803 16.177 -5.88808 -20.7364 -20.6527 16.1771 -20.6528 7.3949 GPRESSAVG: 2652400 -5.45998 -3.13486 16.4885 -9.05473 -19.635 -18.8561 17.5778 -20.1226 6.99634 TIMING: 2652400 CPU: 7906.1, 0.00302254/step Wall: 7906.1, 0.00302254/step, 1.97103 hours remaining, 205.941406 MB of memory in use. ENERGY: 2652400 762.9387 2017.4516 1962.2554 110.2874 -206362.8287 17952.4262 0.0000 0.0000 34213.4800 -149343.9895 298.7948 -183557.4695 -149248.3299 299.0592 -42.1808 -7.6076 558799.6573 -5.9334 -6.0329 PRESSURE: 2652600 -122.259 -248.511 -12.3215 -248.51 -87.3249 17.0058 -12.3205 17.0069 6.18458 GPRESSURE: 2652600 -78.9112 -245.913 -0.0384468 -206.912 -105.735 -36.2783 51.8892 -3.5365 62.2161 PRESSAVG: 2652600 -2.29122 -36.2363 11.0373 -36.2362 10.7568 -43.1385 11.0372 -43.1383 22.0938 GPRESSAVG: 2652600 -1.93329 -37.2041 11.8585 -34.4874 11.0463 -44.7395 10.7516 -44.0832 21.9625 TIMING: 2652600 CPU: 7906.69, 0.00297815/step Wall: 7906.69, 0.00297815/step, 1.94192 hours remaining, 205.941406 MB of memory in use. ENERGY: 2652600 791.1239 2100.0824 1948.8765 111.7516 -205973.9869 17737.2334 0.0000 0.0000 33999.7376 -149285.1815 296.9282 -183284.9191 -149189.8063 299.1729 -67.7997 -40.8101 558312.6707 10.1865 10.3585 PRESSURE: 2652800 -10.4701 -58.5799 3.67429 -58.5785 -49.1468 -103.008 3.67511 -103.009 -337.567 GPRESSURE: 2652800 -26.5024 -57.0513 3.45592 -34.6366 34.1406 -147.183 63.9283 -74.4075 -292.378 PRESSAVG: 2652800 17.7844 -23.0028 7.02536 -23.0028 -8.89401 -18.5873 7.02538 -18.5873 -33.1668 GPRESSAVG: 2652800 17.5602 -22.7354 6.14867 -22.6627 -8.20364 -19.3108 7.33231 -15.7756 -33.6241 TIMING: 2652800 CPU: 7907.29, 0.00299266/step Wall: 7907.29, 0.00299266/step, 1.95122 hours remaining, 205.941406 MB of memory in use. ENERGY: 2652800 723.5707 2083.7077 1925.7791 106.2898 -205842.0860 17428.1470 0.0000 0.0000 34300.9438 -149273.6479 299.5587 -183574.5917 -149175.1230 299.2933 -132.3945 -94.9135 555900.2376 -8.0921 -8.0892 PRESSURE: 2653000 -29.4016 74.264 81.6554 74.2634 202.262 58.8603 81.6558 58.8589 56.2402 GPRESSURE: 2653000 -59.9278 90.2018 107.39 -1.86821 267.361 114.646 92.2013 47.2139 111.57 PRESSAVG: 2653000 38.9637 -14.5529 39.1713 -14.5529 -23.005 -50.114 39.1713 -50.1141 11.7403 GPRESSAVG: 2653000 39.7756 -13.6084 39.4426 -16.4134 -23.4597 -47.7065 37.4173 -52.3739 11.2891 TIMING: 2653000 CPU: 7907.89, 0.00299595/step Wall: 7907.89, 0.00299595/step, 1.95319 hours remaining, 205.941406 MB of memory in use. ENERGY: 2653000 747.7380 2079.2958 1943.5591 109.3611 -206487.1782 18001.9636 0.0000 0.0000 34335.1661 -149270.0946 299.8575 -183605.2607 -149169.8952 298.9430 76.3668 106.3345 557776.9466 9.2330 9.2017 PRESSURE: 2653200 104.407 51.9809 115.023 51.9824 -78.3708 -36.0097 115.024 -36.0091 -110.134 GPRESSURE: 2653200 166.435 21.3874 -4.30103 -6.51588 -70.0122 -0.473991 112.183 13.4507 -90.2602 PRESSAVG: 2653200 27.4778 3.68118 -35.6051 3.68117 0.0990551 15.5818 -35.6051 15.5819 -7.19038 GPRESSAVG: 2653200 27.6012 2.44427 -36.4202 5.53825 -0.262672 15.2088 -34.2383 17.2052 -7.48462 TIMING: 2653200 CPU: 7908.49, 0.00297868/step Wall: 7908.49, 0.00297868/step, 1.94177 hours remaining, 205.941406 MB of memory in use. ENERGY: 2653200 750.9463 2063.1162 1944.7619 113.6483 -206210.9740 17758.0710 0.0000 0.0000 34279.1575 -149301.2728 299.3684 -183580.4303 -149204.4430 298.5237 -28.0327 2.0543 558945.8964 6.7955 6.6180 PRESSURE: 2653400 -16.7096 -46.6112 5.65606 -46.6111 135.268 -218.455 5.65554 -218.456 -247.944 GPRESSURE: 2653400 54.3671 19.9604 -24.7075 -62.274 112.963 -254.732 -56.4915 -174.56 -197.3 PRESSAVG: 2653400 -1.71957 -10.4958 41.8774 -10.4958 -20.8843 -24.26 41.8774 -24.2599 9.67682 GPRESSAVG: 2653400 -2.37917 -9.98029 42.5353 -11.9679 -20.2904 -23.896 42.1376 -24.6343 9.53074 TIMING: 2653400 CPU: 7909.08, 0.00297399/step Wall: 7909.08, 0.00297399/step, 1.93855 hours remaining, 206.144531 MB of memory in use. ENERGY: 2653400 719.0432 2104.2690 1941.9467 106.3633 -206172.6773 17822.3700 0.0000 0.0000 34174.4075 -149304.2776 298.4536 -183478.6851 -149207.3320 299.0653 -43.1285 -9.9900 559563.1288 -4.3090 -4.3796 PRESSURE: 2653600 97.152 133.991 68.2772 133.991 133.999 150.645 68.2765 150.648 -2.72109 GPRESSURE: 2653600 129.871 110.44 2.86592 162.763 211.759 148.62 112.654 62.7829 -15.3715 PRESSAVG: 2653600 -30.8772 -31.0631 -11.4505 -31.0631 36.6444 -51.7163 -11.4504 -51.7163 -3.56389 GPRESSAVG: 2653600 -30.0729 -31.0115 -11.2645 -30.1898 36.4482 -51.4616 -12.1417 -51.5844 -3.70181 TIMING: 2653600 CPU: 7909.67, 0.00296059/step Wall: 7909.67, 0.00296059/step, 1.92965 hours remaining, 206.144531 MB of memory in use. ENERGY: 2653600 762.4109 2138.7219 1943.0034 105.6012 -206075.1262 17970.8653 0.0000 0.0000 34096.4523 -149058.0711 297.7728 -183154.5235 -148966.5296 299.5881 76.1432 108.7530 558140.2484 0.7345 0.8911 PRESSURE: 2653800 -16.0181 180.811 -34.9757 180.81 29.1324 11.4824 -34.9756 11.481 -42.7265 GPRESSURE: 2653800 -21.481 246.949 48.6309 161.383 92.861 44.3888 -99.098 -89.1313 2.71622 PRESSAVG: 2653800 19.494 30.5958 10.7929 30.5957 31.0417 26.1589 10.7929 26.1589 -76.2107 GPRESSAVG: 2653800 18.9618 29.63 11.0078 30.8813 31.3384 26.2525 9.44231 25.9726 -75.9711 TIMING: 2653800 CPU: 7910.27, 0.00296219/step Wall: 7910.27, 0.00296219/step, 1.93052 hours remaining, 206.144531 MB of memory in use. ENERGY: 2653800 759.2244 2076.2823 1942.2366 108.1998 -206127.2794 17927.4912 0.0000 0.0000 34145.2398 -149168.6053 298.1989 -183313.8451 -149073.2279 299.3074 -9.8707 24.6987 559127.2778 -8.5583 -8.5570 PRESSURE: 2654000 36.7281 34.4233 63.1246 34.423 172.813 130.183 63.1247 130.183 84.6347 GPRESSURE: 2654000 61.0678 98.4003 46.7815 4.84151 118.527 105.56 58.3981 163.997 224.468 PRESSAVG: 2654000 87.1221 12.3351 3.15543 12.3351 23.0575 -21.1288 3.15547 -21.1288 -56.059 GPRESSAVG: 2654000 87.3086 12.5661 2.6289 12.148 22.4104 -23.8921 4.45384 -20.5178 -55.4137 TIMING: 2654000 CPU: 7910.85, 0.00293945/step Wall: 7910.85, 0.00293945/step, 1.91554 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: 2654000 743.3092 2089.0125 1931.8290 104.0600 -206015.3170 17927.0477 0.0000 0.0000 34122.9845 -149097.0741 298.0045 -183220.0586 -148998.8083 299.0244 98.0584 134.6877 557805.1307 18.0402 18.1018 PRESSURE: 2654200 105.273 -88.6855 -85.6743 -88.686 -35.3921 -50.2241 -85.6741 -50.2237 -17.7703 GPRESSURE: 2654200 120.061 -106.797 25.6707 -131.931 18.2169 -93.4081 -175.042 -65.511 8.30703 PRESSAVG: 2654200 45.7544 54.9655 15.8415 54.9656 -25.3237 -13.4465 15.8415 -13.4465 -65.3232 GPRESSAVG: 2654200 45.1468 54.5581 14.8423 53.8704 -25.1247 -12.4361 16.7591 -13.613 -65.2981 TIMING: 2654200 CPU: 7911.45, 0.0029725/step Wall: 7911.45, 0.0029725/step, 1.93691 hours remaining, 206.144531 MB of memory in use. ENERGY: 2654200 745.7202 2103.4744 1904.9571 124.2145 -205941.8604 17705.5483 0.0000 0.0000 34345.8919 -149012.0540 299.9512 -183357.9459 -148911.1767 299.0979 17.3704 48.8615 557622.0787 -14.9642 -15.0920 PRESSURE: 2654400 -99.7571 -98.3616 -122.896 -98.3627 -222.831 -111.179 -122.897 -111.179 -41.3634 GPRESSURE: 2654400 -73.249 -80.5685 -165.222 -29.3426 -161.888 -73.6456 -120.231 -122.052 -31.1143 PRESSAVG: 2654400 42.9131 32.9446 37.4135 32.9445 -22.7953 10.1373 37.4136 10.1373 -64.253 GPRESSAVG: 2654400 42.6895 32.5599 39.3239 32.0229 -22.6525 9.5381 36.2786 11.9217 -63.8466 TIMING: 2654400 CPU: 7912.04, 0.00296398/step Wall: 7912.04, 0.00296398/step, 1.9312 hours remaining, 206.144531 MB of memory in use. ENERGY: 2654400 725.9117 2077.1976 1934.5355 109.1269 -205434.4885 17386.6614 0.0000 0.0000 34224.0949 -148976.9605 298.8875 -183201.0554 -148878.2843 299.5995 -121.3173 -88.7504 559758.0246 -14.7117 -14.6032 PRESSURE: 2654600 34.081 -27.7834 238.045 -27.7845 -82.2687 -14.4247 238.046 -14.424 77.4167 GPRESSURE: 2654600 30.0009 38.6578 232.388 -123.184 -64.309 -12.8318 196.607 25.6471 145.592 PRESSAVG: 2654600 15.2437 32.5472 6.20733 32.5473 40.4668 32.1232 6.20729 32.1232 -33.55 GPRESSAVG: 2654600 15.6659 35.0653 6.71985 32.1498 39.4567 31.759 5.44174 31.7694 -33.6168 TIMING: 2654600 CPU: 7912.63, 0.00296289/step Wall: 7912.63, 0.00296289/step, 1.93032 hours remaining, 206.144531 MB of memory in use. ENERGY: 2654600 739.1443 2065.8658 1984.5189 111.2806 -206204.4405 17836.1451 0.0000 0.0000 34197.9300 -149269.5558 298.6590 -183467.4858 -149172.8612 299.2253 9.7430 37.0947 558189.0354 7.3869 7.1686 PRESSURE: 2654800 -38.7013 -117.294 -82.0946 -117.294 127.528 47.5008 -82.0932 47.5014 118.417 GPRESSURE: 2654800 -54.752 -129.495 -57.9089 -89.0236 189.965 86.0027 -57.8485 59.9887 162.48 PRESSAVG: 2654800 -8.98141 -1.48755 6.42419 -1.48757 12.9603 8.07825 6.42419 8.07828 16.5169 GPRESSAVG: 2654800 -9.25775 -4.4882 6.14896 1.95524 13.111 9.09449 6.58657 5.41537 16.5595 TIMING: 2654800 CPU: 7913.23, 0.0029712/step Wall: 7913.23, 0.0029712/step, 1.93557 hours remaining, 206.144531 MB of memory in use. ENERGY: 2654800 719.8334 2112.0406 1921.8254 106.8291 -206161.5260 17946.1051 0.0000 0.0000 33883.3908 -149471.5016 295.9121 -183354.8924 -149371.5525 298.3321 69.0814 99.2309 559206.9728 6.8319 6.8042 PRESSURE: 2655000 65.8426 80.2814 -65.7037 80.2831 47.3495 -27.8154 -65.7046 -27.8154 -25.8038 GPRESSURE: 2655000 85.2387 134.076 -75.3934 4.59701 93.3679 7.54839 -32.9245 -17.4082 15.2965 PRESSAVG: 2655000 0.735141 14.34 0.236063 14.3401 -4.48397 29.7207 0.236079 29.7208 -29.1995 GPRESSAVG: 2655000 1.56346 15.7419 -2.11438 12.0671 -4.8326 28.9009 1.00361 28.5963 -29.8754 TIMING: 2655000 CPU: 7913.83, 0.00299094/step Wall: 7913.83, 0.00299094/step, 1.94827 hours remaining, 206.144531 MB of memory in use. ENERGY: 2655000 727.6574 2116.7515 1940.6199 115.6273 -206506.3443 17986.1088 0.0000 0.0000 34209.8028 -149409.7766 298.7627 -183619.5794 -149310.1477 298.6761 29.1294 64.6344 558115.7961 -10.9828 -11.0482 PRESSURE: 2655200 -177.546 159.779 -36.0626 159.781 163.455 52.9911 -36.0614 52.9908 67.3061 GPRESSURE: 2655200 -116.017 118.992 -56.0566 210.28 218.815 74.9278 -120.504 55.6854 47.3596 PRESSAVG: 2655200 -21.841 25.0668 -34.6832 25.0668 88.9082 -0.706953 -34.6833 -0.706992 -70.2783 GPRESSAVG: 2655200 -21.2854 24.2054 -31.6111 26.3986 89.0971 -0.988067 -36.127 0.613569 -70.4563 TIMING: 2655200 CPU: 7914.42, 0.00298309/step Wall: 7914.42, 0.00298309/step, 1.94298 hours remaining, 206.144531 MB of memory in use. ENERGY: 2655200 740.7668 2119.7520 1954.4656 119.3051 -206701.2661 18156.7931 0.0000 0.0000 34115.6714 -149494.5121 297.9406 -183610.1835 -149398.7818 298.2812 17.7384 50.0525 558576.3823 -1.0703 -0.8815 PRESSURE: 2655400 41.6095 -53.5905 184.975 -53.5902 -14.4116 127.261 184.974 127.262 89.3615 GPRESSURE: 2655400 96.0172 3.23678 143.482 -72.1975 -34.6766 184.157 201.668 49.6501 146.076 PRESSAVG: 2655400 -13.6905 59.8352 6.06239 59.8352 5.80918 -20.2749 6.06237 -20.2749 20.9685 GPRESSAVG: 2655400 -14.2559 59.7391 4.89237 61.2589 6.4144 -20.1699 7.32452 -20.4215 20.8293 TIMING: 2655400 CPU: 7915.02, 0.00296873/step Wall: 7915.02, 0.00296873/step, 1.93346 hours remaining, 206.144531 MB of memory in use. ENERGY: 2655400 695.2273 2057.2951 1954.6009 106.8166 -206534.6204 17998.8380 0.0000 0.0000 34162.7017 -149559.1408 298.3514 -183721.8425 -149456.8871 298.3140 38.8531 69.1390 558439.2473 4.3624 4.3292 PRESSURE: 2655600 -300.298 90.2431 3.35293 90.2438 -315.907 13.9416 3.35294 13.9422 -53.3161 GPRESSURE: 2655600 -255.553 160.99 -94.033 3.28423 -284.174 -3.50678 56.1264 44.7926 -17.4024 PRESSAVG: 2655600 0.141421 16.4556 -42.4306 16.4557 -32.2849 -2.50729 -42.4306 -2.50745 33.9306 GPRESSAVG: 2655600 -0.158046 17.7992 -41.1317 13.4556 -33.6368 -3.65719 -42.5803 -1.56502 35.3402 TIMING: 2655600 CPU: 7915.61, 0.00297233/step Wall: 7915.61, 0.00297233/step, 1.93565 hours remaining, 206.144531 MB of memory in use. ENERGY: 2655600 747.1810 2076.5394 1959.8562 123.7235 -206183.6923 17579.9376 0.0000 0.0000 34206.0756 -149490.3789 298.7302 -183696.4546 -149388.3535 298.0005 -223.1736 -185.7099 558536.4936 0.5957 0.5151 PRESSURE: 2655800 -150.144 68.7171 66.3002 68.7175 -234.195 55.8485 66.3006 55.8484 147.171 GPRESSURE: 2655800 -54.6941 13.243 104.419 -24.6491 -214.785 165.743 115.305 -18.0888 130.939 PRESSAVG: 2655800 32.0398 -11.8929 -33.0952 -11.8928 -34.7081 3.06331 -33.0951 3.0634 11.6349 GPRESSAVG: 2655800 31.3687 -12.3389 -33.5367 -12.3019 -34.5787 4.83397 -33.1584 2.28185 11.6818 TIMING: 2655800 CPU: 7916.2, 0.00294766/step Wall: 7916.2, 0.00294766/step, 1.91942 hours remaining, 206.144531 MB of memory in use. ENERGY: 2655800 752.9568 2087.6342 1975.7581 117.3578 -206832.4299 18026.4264 0.0000 0.0000 34355.6296 -149516.6670 300.0363 -183872.2966 -149416.6291 298.5015 -79.0560 -46.1800 557183.9293 2.9889 2.8239 PRESSURE: 2656000 222.867 149.489 -73.1524 149.488 -125.811 -101.336 -73.1529 -101.336 53.0431 GPRESSURE: 2656000 286.904 72.3997 -23.1358 191.281 -99.929 -67.0368 -47.6364 -54.8228 54.6532 PRESSAVG: 2656000 58.1385 -10.0647 -17.0766 -10.0647 -68.4899 -17.8252 -17.0767 -17.8252 -23.6969 GPRESSAVG: 2656000 58.6109 -10.7222 -16.1326 -9.3417 -69.1278 -19.3437 -17.3278 -17.3661 -23.939 TIMING: 2656000 CPU: 7916.79, 0.00295965/step Wall: 7916.79, 0.00295965/step, 1.92706 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: 2656000 754.2862 2110.5826 1954.9413 102.0076 -206491.6791 17948.1919 0.0000 0.0000 34104.6124 -149517.0571 297.8441 -183621.6695 -149417.6657 298.1657 50.0328 80.5428 557377.8227 -11.3494 -11.4853 PRESSURE: 2656200 -81.1432 -25.9082 -21.3383 -25.9076 -262.905 -29.5212 -21.3387 -29.5205 -100.363 GPRESSURE: 2656200 -82.1971 69.604 26.5051 -95.674 -186.911 27.3816 -37.5335 -55.4254 -69.9225 PRESSAVG: 2656200 36.5383 60.6941 -49.0586 60.6942 -7.06437 -28.3692 -49.0588 -28.3692 -32.1025 GPRESSAVG: 2656200 35.9857 62.3223 -49.9914 61.2091 -5.62379 -26.4865 -47.7699 -29.8421 -32.9511 TIMING: 2656200 CPU: 7917.38, 0.00294744/step Wall: 7917.38, 0.00294744/step, 1.91894 hours remaining, 206.144531 MB of memory in use. ENERGY: 2656200 729.1511 2110.5961 1964.6213 111.4810 -206181.5652 17642.7666 0.0000 0.0000 34207.1507 -149415.7982 298.7396 -183622.9490 -149316.3906 298.1186 -148.1370 -113.0103 558214.3129 -0.8762 -0.8631 LDB: ============= START OF LOAD BALANCING ============== 7920.81 LDB: ============== END OF LOAD BALANCING =============== 7920.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7920.81 LDB: ============= START OF LOAD BALANCING ============== 7921.11 LDB: Largest compute 4821 load 0.030957 is 26.2% of average load 0.117987 LDB: Average compute 0.001738 is 1.5% of average load 0.117987 LDB: TIME 7921.11 LOAD: AVG 0.117987 MAX 0.200891 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 7921.11 LOAD: AVG 0.117987 MAX 0.200891 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 7921.11 LOAD: AVG 0.117987 MAX 0.200891 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: ============== END OF LOAD BALANCING =============== 7921.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7921.11 PRESSURE: 2656400 9.94912 178.555 -56.6653 178.556 -13.0758 191.511 -56.6648 191.512 277.808 GPRESSURE: 2656400 37.0436 256.049 -53.6554 126.671 29.0558 193.041 -93.9749 206.53 306.607 PRESSAVG: 2656400 27.7483 2.18482 20.7119 2.18489 -63.4023 31.5972 20.7119 31.5971 13.8511 GPRESSAVG: 2656400 27.1 1.94315 21.6696 2.50977 -63.9325 32.6568 18.9634 31.3153 15.1656 TIMING: 2656400 CPU: 7917.99, 0.00301653/step Wall: 7917.99, 0.00301653/step, 1.96376 hours remaining, 205.941406 MB of memory in use. ENERGY: 2656400 759.1521 2118.8261 1944.3503 111.7567 -206809.9499 18086.9072 0.0000 0.0000 34333.4628 -149455.4947 299.8427 -183788.9575 -149351.4489 298.3162 91.5604 124.2354 556125.3549 -7.2677 -7.2223 PRESSURE: 2656600 -66.7747 169.703 135.988 169.703 -159.885 -13.2451 135.989 -13.2449 12.3292 GPRESSURE: 2656600 -3.52828 261.366 118.021 123.403 -135.642 76.6277 65.7103 -18.4214 27.4776 PRESSAVG: 2656600 -16.2348 -15.2979 35.8264 -15.2979 -49.3911 -30.7895 35.8263 -30.7894 35.0109 GPRESSAVG: 2656600 -15.3403 -13.8895 34.3232 -15.9201 -48.9646 -32.5386 35.3056 -29.8389 34.1252 TIMING: 2656600 CPU: 7918.58, 0.00295659/step Wall: 7918.58, 0.00295659/step, 1.92458 hours remaining, 205.941406 MB of memory in use. ENERGY: 2656600 752.8151 2156.9560 1954.9250 107.2113 -206746.7400 17958.4758 0.0000 0.0000 34324.1815 -149492.1752 299.7616 -183816.3567 -149399.5971 298.5764 -71.4433 -37.2310 557894.4725 -10.2050 -10.0599 PRESSURE: 2656800 -505.829 18.458 -33.4564 18.4588 -142.499 -36.5315 -33.4567 -36.5322 9.98503 GPRESSURE: 2656800 -501.632 7.80441 -101.8 39.1691 -83.9131 -24.895 -12.5608 -56.6117 53.334 PRESSAVG: 2656800 -11.6247 -0.420098 27.3929 -0.420158 -25.046 -40.3099 27.3929 -40.3099 7.98568 GPRESSAVG: 2656800 -11.7695 -1.40584 28.5943 -0.289854 -24.9244 -40.4789 28.4557 -41.2948 7.99469 TIMING: 2656800 CPU: 7919.17, 0.00297974/step Wall: 7919.17, 0.00297974/step, 1.93948 hours remaining, 205.941406 MB of memory in use. ENERGY: 2656800 722.2523 2089.3518 1970.4372 116.6800 -206241.1011 17704.4134 0.0000 0.0000 34139.3426 -149498.6239 298.1474 -183637.9664 -149402.4703 298.0915 -212.7809 -177.4035 558732.0969 -9.5617 -9.5664 PRESSURE: 2657000 -234.898 51.6526 32.2543 51.6541 -432.313 41.6358 32.2544 41.6364 -49.9239 GPRESSURE: 2657000 -166.219 24.961 -50.0716 25.4312 -399.815 63.324 121.768 28.9567 -53.0403 PRESSAVG: 2657000 -81.3013 -21.5232 -15.8324 -21.5232 81.1928 -0.470714 -15.8324 -0.470736 32.0197 GPRESSAVG: 2657000 -81.3023 -23.1726 -15.7162 -21.9323 81.8719 -0.0384505 -15.6893 -0.315036 30.9676 TIMING: 2657000 CPU: 7919.77, 0.00298484/step Wall: 7919.77, 0.00298484/step, 1.94263 hours remaining, 205.941406 MB of memory in use. ENERGY: 2657000 775.8824 2092.1660 1949.5678 111.0436 -206192.8869 17550.8225 0.0000 0.0000 34314.7165 -149398.6879 299.6790 -183713.4045 -149310.6654 298.4445 -239.0451 -206.3583 558715.5408 10.6371 10.5124 PRESSURE: 2657200 -316.338 105.347 -134.076 105.347 -70.3986 105.497 -134.076 105.498 -175.262 GPRESSURE: 2657200 -248.67 41.8184 -183.113 85.8276 -97.8916 177.06 -80.9669 24.8739 -128.986 PRESSAVG: 2657200 -24.2617 -8.53488 34.7413 -8.53498 -22.3841 7.69302 34.7413 7.69296 -12.1426 GPRESSAVG: 2657200 -23.9624 -8.17525 34.9052 -6.1394 -23.7466 4.99535 35.1233 8.92974 -10.9185 TIMING: 2657200 CPU: 7920.37, 0.00297896/step Wall: 7920.37, 0.00297896/step, 1.93864 hours remaining, 205.941406 MB of memory in use. ENERGY: 2657200 754.1985 2156.6216 1936.5147 103.7049 -206065.4629 17521.1808 0.0000 0.0000 34173.0910 -149420.1515 298.4421 -183593.2425 -149321.8398 299.0050 -187.3329 -158.5157 558171.6749 -19.5961 -19.5425 PRESSURE: 2657400 -175.307 -28.2454 -88.5311 -28.2461 -151.214 25.0071 -88.5313 25.0077 -50.031 GPRESSURE: 2657400 -102.386 -56.6475 -54.3898 -1.90419 -73.1923 -6.83392 -105.008 -86.8387 -90.6136 PRESSAVG: 2657400 25.9433 -29.5478 17.7863 -29.5478 33.6021 10.9047 17.7863 10.9047 -61.1028 GPRESSAVG: 2657400 25.9329 -30.7129 16.5466 -30.8228 34.8102 13.2827 17.7978 8.59348 -62.1944 TIMING: 2657400 CPU: 7920.96, 0.00299717/step Wall: 7920.96, 0.00299717/step, 1.95032 hours remaining, 205.941406 MB of memory in use. ENERGY: 2657400 724.5212 2122.2160 1944.6166 116.1968 -206231.2173 17747.9963 0.0000 0.0000 34192.1085 -149383.5619 298.6082 -183575.6704 -149288.9816 298.6313 -125.5173 -88.7308 559175.4016 -0.5191 -0.4838 PRESSURE: 2657600 214.891 -138.405 -67.1013 -138.404 -241.668 -8.81434 -67.1011 -8.81311 64.7321 GPRESSURE: 2657600 138.31 -17.1171 -95.9933 -125.696 -113.721 -61.566 -63.5239 40.1231 110.143 PRESSAVG: 2657600 48.685 9.88791 -20.7731 9.88792 2.40021 -0.818294 -20.7731 -0.818342 3.45927 GPRESSAVG: 2657600 47.6681 11.0216 -19.7065 7.50268 1.8607 -0.666849 -20.9395 0.740958 5.10453 TIMING: 2657600 CPU: 7921.57, 0.00300199/step Wall: 7921.57, 0.00300199/step, 1.95329 hours remaining, 205.941406 MB of memory in use. ENERGY: 2657600 744.2519 2089.4413 1947.3017 109.5443 -206168.9609 18017.3192 0.0000 0.0000 34018.1591 -149242.9435 297.0890 -183261.1026 -149153.5457 298.2884 12.6519 44.9106 558419.4498 18.1815 18.2111 PRESSURE: 2657800 172.914 -103.579 36.5223 -103.58 225.173 41.4908 36.5224 41.492 263.274 GPRESSURE: 2657800 197.151 -99.7492 77.1342 -72.7019 224.504 101.481 30.6525 -0.064528 321.503 PRESSAVG: 2657800 118.017 -47.2366 33.6523 -47.2367 -127.427 43.9035 33.6522 43.9036 6.63336 GPRESSAVG: 2657800 119.162 -46.673 31.5019 -46.2062 -127.491 42.8726 33.8912 44.8012 6.00863 TIMING: 2657800 CPU: 7922.16, 0.00298596/step Wall: 7922.16, 0.00298596/step, 1.9427 hours remaining, 205.941406 MB of memory in use. ENERGY: 2657800 738.8983 2157.0198 1911.7169 105.4659 -206414.5942 18104.0041 0.0000 0.0000 34164.5230 -149232.9663 298.3673 -183397.4892 -149135.3436 298.8416 220.4535 247.7191 558040.3688 -0.9258 -0.7736 PRESSURE: 2658000 147.143 78.0389 -63.65 78.0405 -169.117 98.1912 -63.6503 98.1916 -54.7121 GPRESSURE: 2658000 181.909 36.2581 31.3395 48.9719 -135.986 115.844 -181.451 74.7169 -33.0437 PRESSAVG: 2658000 31.7364 -24.0758 -23.6545 -24.0759 13.8716 29.2855 -23.6546 29.2854 -58.3887 GPRESSAVG: 2658000 32.4726 -23.85 -23.0316 -24.3886 14.2466 30.5639 -23.861 28.5816 -59.2881 TIMING: 2658000 CPU: 7922.76, 0.00299608/step Wall: 7922.76, 0.00299608/step, 1.94911 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: 2658000 757.3725 2114.0881 1954.1199 117.5237 -205825.9168 17586.3625 0.0000 0.0000 34058.0061 -149238.4440 297.4370 -183296.4501 -149155.8785 299.0047 -25.5621 4.2930 557254.8551 -4.2602 -4.1896 PRESSURE: 2658200 175.17 22.9036 -15.5173 22.903 -26.7001 -9.76412 -15.5179 -9.76427 -244.113 GPRESSURE: 2658200 166.78 -110.41 -35.1506 6.45417 10.4247 -24.9676 -34.4797 2.59363 -181.567 PRESSAVG: 2658200 96.1017 -27.6367 15.7797 -27.6367 -47.209 31.8872 15.7797 31.8872 -45.0579 GPRESSAVG: 2658200 95.2478 -29.7532 17.1282 -27.3815 -46.4202 31.4824 15.6851 31.5636 -44.1233 TIMING: 2658200 CPU: 7923.37, 0.00303139/step Wall: 7923.37, 0.00303139/step, 1.97192 hours remaining, 205.941406 MB of memory in use. ENERGY: 2658200 740.0136 2060.1808 1908.2565 115.6451 -206406.2408 17876.1555 0.0000 0.0000 34345.2315 -149360.7578 299.9454 -183705.9893 -149265.5534 298.8714 -31.8809 -1.4540 555493.4764 1.2783 1.5681 PRESSURE: 2658400 -83.1684 222.584 -88.9491 222.584 117.342 -99.7038 -88.9491 -99.7057 38.8088 GPRESSURE: 2658400 -66.7983 189.63 -87.0321 256.684 191.387 -126.01 -46.0297 -85.0316 55.9736 PRESSAVG: 2658400 75.6013 33.6609 -14.5734 33.6608 23.9076 -8.04005 -14.5734 -8.04014 -113.817 GPRESSAVG: 2658400 76.438 33.4693 -15.6608 35.7038 23.5265 -8.50501 -15.509 -7.23773 -113.603 TIMING: 2658400 CPU: 7923.97, 0.00302027/step Wall: 7923.97, 0.00302027/step, 1.96452 hours remaining, 205.941406 MB of memory in use. ENERGY: 2658400 721.9278 2144.4992 1959.6405 114.2267 -206225.1212 17842.5420 0.0000 0.0000 34177.5070 -149264.7780 298.4807 -183442.2850 -149176.0107 298.7801 24.3274 60.1874 555266.5235 -4.7692 -4.5461 PRESSURE: 2658600 -148.737 20.6498 -35.3146 20.6504 -124.769 220.456 -35.3155 220.454 -29.0812 GPRESSURE: 2658600 -123.565 -15.9205 9.47026 -37.7661 -96.8002 209.795 -55.8544 259.504 8.79052 PRESSAVG: 2658600 -19.4992 21.0022 10.1637 21.0023 63.8151 68.9875 10.1636 68.9875 -67.3074 GPRESSAVG: 2658600 -20.849 21.1876 8.75448 20.0751 64.0779 68.4567 12.8511 69.4202 -66.4381 TIMING: 2658600 CPU: 7924.57, 0.00301177/step Wall: 7924.57, 0.00301177/step, 1.95882 hours remaining, 205.941406 MB of memory in use. ENERGY: 2658600 708.0895 2073.1638 1976.6214 109.4092 -206231.5125 17534.3528 0.0000 0.0000 34454.1104 -149375.7654 300.8963 -183829.8758 -149284.9525 298.9179 -100.8622 -70.5250 557386.3438 -7.6638 -7.7364 PRESSURE: 2658800 -38.8563 52.5509 -89.5317 52.5506 -287.813 150.421 -89.531 150.421 -398.995 GPRESSURE: 2658800 -12.0743 98.2931 -81.2917 0.630653 -281.716 172.948 -104.685 173.163 -337.809 PRESSAVG: 2658800 64.6825 -6.97499 22.3296 -6.97487 40.8567 20.1694 22.3296 20.1695 -18.8886 GPRESSAVG: 2658800 65.2246 -3.83884 23.826 -8.7199 41.297 19.5196 20.4406 20.2668 -19.8193 TIMING: 2658800 CPU: 7925.17, 0.00299605/step Wall: 7925.17, 0.00299605/step, 1.94843 hours remaining, 205.941406 MB of memory in use. ENERGY: 2658800 761.9805 2102.1374 1919.1574 111.5165 -205927.5474 17537.2658 0.0000 0.0000 34124.0412 -149371.4486 298.0137 -183495.4898 -149277.7268 298.5781 -241.8883 -210.5331 558226.8549 28.8835 28.9008 PRESSURE: 2659000 -65.1094 -122.377 133.095 -122.379 129.836 -214.798 133.094 -214.798 50.111 GPRESSURE: 2659000 -5.16027 -99.8344 98.4844 -144.91 125.725 -203.39 127.216 -199.002 80.5595 PRESSAVG: 2659000 43.2862 62.2958 5.34478 62.2958 -3.61078 10.1219 5.34477 10.1219 -40.3089 GPRESSAVG: 2659000 42.7813 58.0135 3.82016 65.443 -3.73765 12.1457 6.6727 9.38852 -39.9186 TIMING: 2659000 CPU: 7925.78, 0.00301832/step Wall: 7925.78, 0.00301832/step, 1.96275 hours remaining, 205.941406 MB of memory in use. ENERGY: 2659000 781.7006 2129.3315 1979.9333 117.3855 -206452.2003 17809.6062 0.0000 0.0000 34312.2144 -149322.0287 299.6571 -183634.2432 -149222.0513 299.2833 38.2792 67.0413 556464.7370 -0.2111 -0.2916 PRESSURE: 2659200 -32.0968 -188.105 -106.973 -188.105 -340.34 -9.62089 -106.974 -9.6223 -154.204 GPRESSURE: 2659200 -35.3475 -156.728 -206.284 -172.912 -317.199 -3.78945 -46.8007 -39.4418 -87.8395 PRESSAVG: 2659200 -22.8758 -26.1197 -24.886 -26.1198 5.67653 -23.7269 -24.886 -23.7269 8.48302 GPRESSAVG: 2659200 -23.0838 -23.749 -24.3967 -26.1453 5.73542 -24.7174 -26.3114 -21.0846 8.56758 TIMING: 2659200 CPU: 7926.38, 0.00301381/step Wall: 7926.38, 0.00301381/step, 1.95964 hours remaining, 205.941406 MB of memory in use. ENERGY: 2659200 784.8837 2089.5899 1965.9880 113.2205 -206363.4322 17787.6804 0.0000 0.0000 34149.8991 -149472.1705 298.2396 -183622.0697 -149375.8855 299.2287 -175.5471 -146.7954 557205.0114 -2.9054 -2.9269 PRESSURE: 2659400 43.0178 5.89131 4.35367 5.89113 40.9774 43.0228 4.35354 43.0229 -13.1184 GPRESSURE: 2659400 53.7962 -55.5644 -33.3262 12.1677 107.71 24.5861 82.5981 52.7142 1.60703 PRESSAVG: 2659400 -11.1614 -15.4958 -13.2176 -15.4958 6.92557 13.2941 -13.2176 13.2941 -37.5974 GPRESSAVG: 2659400 -11.2172 -15.3574 -13.3876 -16.3313 7.27583 12.7749 -11.629 12.3758 -37.3947 TIMING: 2659400 CPU: 7926.98, 0.00299931/step Wall: 7926.98, 0.00299931/step, 1.95005 hours remaining, 205.941406 MB of memory in use. ENERGY: 2659400 760.8461 2075.5501 1978.6308 114.5232 -206631.5394 17897.1106 0.0000 0.0000 34309.7758 -149495.1028 299.6358 -183804.8786 -149392.7746 298.8337 23.6256 54.3712 557038.6181 -13.9444 -13.7787 PRESSURE: 2659600 -164.938 -90.9673 51.4984 -90.9669 -292.128 -40.9238 51.4991 -40.9243 -12.1411 GPRESSURE: 2659600 -74.5744 -70.4234 12.3078 -27.4499 -307.727 -106.919 56.1517 -42.7849 4.36751 PRESSAVG: 2659600 24.6598 -44.2085 -1.09932 -44.2086 -10.607 39.4742 -1.09932 39.4743 -29.4902 GPRESSAVG: 2659600 24.1747 -45.6678 1.06601 -44.1118 -11.0543 42.1873 -2.35475 38.4078 -28.5721 TIMING: 2659600 CPU: 7927.58, 0.00300294/step Wall: 7927.58, 0.00300294/step, 1.95225 hours remaining, 205.941406 MB of memory in use. ENERGY: 2659600 767.8654 2055.4878 1967.9066 124.6348 -206156.1384 17549.8291 0.0000 0.0000 34215.8045 -149474.6101 298.8151 -183690.4146 -149378.4825 298.3521 -156.4024 -125.9779 557020.9387 -5.1458 -5.1505 PRESSURE: 2659800 50.6777 12.8395 69.2689 12.8382 -277.029 115.741 69.2682 115.744 -120.689 GPRESSURE: 2659800 56.4012 54.1262 95.6747 -12.4981 -205.104 125.022 45.5724 130.83 -93.6112 PRESSAVG: 2659800 -22.8442 20.3201 -28.9535 20.32 -42.3199 24.3046 -28.9534 24.3047 49.6981 GPRESSAVG: 2659800 -21.1881 22.7695 -29.6436 17.8475 -41.4886 23.8397 -30.2662 23.8182 46.7773 TIMING: 2659800 CPU: 7928.18, 0.00299716/step Wall: 7928.18, 0.00299716/step, 1.94832 hours remaining, 205.941406 MB of memory in use. ENERGY: 2659800 745.7911 2090.7144 1965.4476 121.0601 -205946.6801 17517.0865 0.0000 0.0000 34109.5414 -149397.0389 297.8871 -183506.5804 -149304.7224 299.0735 -115.6802 -80.7714 555760.3161 -5.1553 -5.2998 PRESSURE: 2660000 -149.918 77.8251 147.129 77.8244 -110.911 34.3949 147.129 34.3953 -311.593 GPRESSURE: 2660000 -83.83 55.4569 152.142 33.8393 -63.8087 127.484 152.545 -5.3081 -329.111 PRESSAVG: 2660000 33.657 32.2507 5.58793 32.2507 -22.329 24.8438 5.58794 24.8437 15.7576 GPRESSAVG: 2660000 32.9013 31.8094 5.46303 34.5261 -23.0343 23.3784 7.03309 27.0126 16.4715 TIMING: 2660000 CPU: 7928.78, 0.00299663/step Wall: 7928.78, 0.00299663/step, 1.94781 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: 2660000 792.6793 2151.3967 1918.9486 111.1106 -205981.8052 17540.8476 0.0000 0.0000 34142.8528 -149323.9695 298.1780 -183466.8223 -149227.5068 298.4968 -190.8073 -158.9165 556913.8810 9.0285 8.7795 PRESSURE: 2660200 -99.1486 -81.5689 -123.182 -81.5689 46.3908 -35.6896 -123.184 -35.6888 102.004 GPRESSURE: 2660200 -26.0466 -119.797 -124.411 -122.952 53.521 -100.216 -79.1554 8.51693 119.57 PRESSAVG: 2660200 -34.207 -0.558746 -30.0573 -0.558817 35.9547 -3.04491 -30.0573 -3.04502 -28.4214 GPRESSAVG: 2660200 -34.7095 -2.96365 -31.8117 2.06375 35.1226 -3.37495 -29.2305 -4.04345 -26.8946 TIMING: 2660200 CPU: 7929.38, 0.00301104/step Wall: 7929.38, 0.00301104/step, 1.95701 hours remaining, 205.941406 MB of memory in use. ENERGY: 2660200 744.5659 2112.7760 1957.0345 115.6075 -206290.3196 17710.8727 0.0000 0.0000 34276.0280 -149373.4351 299.3411 -183649.4630 -149276.6305 298.9402 16.4154 49.0147 555356.3981 -8.8912 -8.8272 LDB: ============= START OF LOAD BALANCING ============== 7932.81 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 7932.81 LDB: =============== DONE WITH MIGRATION ================ 7932.82 LDB: ============= START OF LOAD BALANCING ============== 7933.12 LDB: Largest compute 4821 load 0.028741 is 24.3% of average load 0.118060 LDB: Average compute 0.001739 is 1.5% of average load 0.118060 LDB: TIME 7933.12 LOAD: AVG 0.11806 MAX 0.207565 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 7933.12 LOAD: AVG 0.11806 MAX 0.207565 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: TIME 7933.12 LOAD: AVG 0.11806 MAX 0.207565 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: ============== END OF LOAD BALANCING =============== 7933.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7933.13 PRESSURE: 2660400 -74.9663 142.889 -123.461 142.889 -264.287 11.8876 -123.46 11.8876 -214.3 GPRESSURE: 2660400 -51.8473 130.627 -84.9419 188.625 -267.358 22.5766 2.49291 15.5319 -145.147 PRESSAVG: 2660400 5.84588 11.0239 11.318 11.0238 27.867 25.5953 11.3179 25.5953 -70.7878 GPRESSAVG: 2660400 6.06938 12.5839 13.2031 8.46494 28.9689 28.1658 11.035 23.4493 -72.2219 TIMING: 2660400 CPU: 7930, 0.00308483/step Wall: 7930, 0.00308483/step, 2.00479 hours remaining, 207.281250 MB of memory in use. ENERGY: 2660400 734.4571 2062.3189 1950.8577 115.8814 -205839.4378 17571.0697 0.0000 0.0000 34204.7175 -149200.1355 298.7183 -183404.8530 -149114.4421 299.0450 -184.5178 -154.7842 558230.0145 -12.3583 -12.3945 PRESSURE: 2660600 266.846 107.601 39.2089 107.601 40.1895 -127.423 39.2094 -127.422 59.0742 GPRESSURE: 2660600 318.444 134.517 12.638 138.413 74.8985 -136.307 22.9935 -146.955 67.872 PRESSAVG: 2660600 77.3342 31.7225 2.95644 31.7226 -52.5204 -28.0958 2.95648 -28.0959 -17.5186 GPRESSAVG: 2660600 77.5853 32.5623 2.97858 30.376 -52.5538 -28.4994 3.67805 -27.8956 -17.8181 TIMING: 2660600 CPU: 7930.6, 0.00301802/step Wall: 7930.6, 0.00301802/step, 1.96121 hours remaining, 207.484375 MB of memory in use. ENERGY: 2660600 760.8948 2098.6932 1961.7600 119.2383 -206575.1025 18099.6900 0.0000 0.0000 34285.9320 -149248.8942 299.4276 -183534.8262 -149151.0078 299.6898 122.0365 153.7382 557666.7053 2.4318 2.4044 PRESSURE: 2660800 75.4484 -79.5255 76.2403 -79.5248 146.103 -4.51093 76.24 -4.51164 169.698 GPRESSURE: 2660800 183.111 -47.4372 76.5471 -60.1757 129.818 50.7269 75.7403 61.5852 174.485 PRESSAVG: 2660800 5.83499 21.7053 16.6054 21.7052 -41.122 -6.3621 16.6054 -6.36214 12.7915 GPRESSAVG: 2660800 4.83154 22.0523 14.7378 21.1684 -41.1611 -8.90468 14.5469 -4.83267 14.5172 TIMING: 2660800 CPU: 7931.21, 0.00301797/step Wall: 7931.21, 0.00301797/step, 1.96101 hours remaining, 207.484375 MB of memory in use. ENERGY: 2660800 722.2547 2121.7513 1940.5977 136.3927 -206341.0896 17975.6856 0.0000 0.0000 34086.1371 -149358.2706 297.6827 -183444.4077 -149271.7570 298.5791 130.4165 162.4715 557574.8541 -7.4985 -7.2708 PRESSURE: 2661000 -210.829 -56.4203 -52.4145 -56.4214 -242.049 83.8967 -52.4148 83.8975 -226.164 GPRESSURE: 2661000 -172.719 -59.0354 -49.3297 -19.7612 -182.747 118.517 -54.957 90.7158 -232.115 PRESSAVG: 2661000 12.7079 -25.9804 -35.5628 -25.9803 -14.5021 51.3985 -35.5628 51.3983 -33.6617 GPRESSAVG: 2661000 12.7515 -28.0444 -34.832 -25.3299 -13.2347 55.3842 -34.2259 50.5513 -35.0674 TIMING: 2661000 CPU: 7931.81, 0.00301546/step Wall: 7931.81, 0.00301546/step, 1.95921 hours remaining, 207.484375 MB of memory in use. ENERGY: 2661000 727.5760 2121.1295 1944.5514 122.6497 -205856.7259 17420.2507 0.0000 0.0000 34185.3565 -149335.2122 298.5492 -183520.5687 -149241.1963 298.1526 -226.3475 -195.8604 557828.2348 -11.8186 -11.8502 PRESSURE: 2661200 3.99548 144.518 -62.1242 144.518 230.331 -158.327 -62.1222 -158.327 -212.748 GPRESSURE: 2661200 62.8847 116.207 -85.7576 132.805 266.282 -134.761 -62.7138 -73.698 -218.922 PRESSAVG: 2661200 -18.9471 49.9634 -50.0879 49.9634 37.1625 17.6054 -50.0879 17.6053 46.4624 GPRESSAVG: 2661200 -18.4153 50.5182 -50.2128 50.7458 36.6553 16.7836 -50.6812 18.3173 46.1825 TIMING: 2661200 CPU: 7932.41, 0.00301466/step Wall: 7932.41, 0.00301466/step, 1.95853 hours remaining, 207.484375 MB of memory in use. ENERGY: 2661200 775.2821 2105.0521 1931.2657 110.0760 -206181.5809 17849.6103 0.0000 0.0000 34221.2462 -149189.0485 298.8627 -183410.2948 -149099.1532 298.3825 7.1929 36.7485 557706.2445 21.5592 21.4742 PRESSURE: 2661400 -129.055 -36.8528 -52.5451 -36.8521 -14.7812 122.662 -52.5452 122.661 -166.721 GPRESSURE: 2661400 -63.219 -27.6455 6.54494 17.7672 -16.2233 99.4111 -49.576 150.729 -130.863 PRESSAVG: 2661400 2.25917 21.0693 -58.164 21.0693 41.3561 45.5729 -58.164 45.573 -34.9217 GPRESSAVG: 2661400 1.68322 20.1715 -57.3807 21.3124 40.3731 44.8081 -58.8541 45.6415 -34.3267 TIMING: 2661400 CPU: 7933.01, 0.00298876/step Wall: 7933.01, 0.00298876/step, 1.94153 hours remaining, 207.484375 MB of memory in use. ENERGY: 2661400 715.2043 2057.9427 1953.2082 121.6071 -206081.3498 17781.6615 0.0000 0.0000 34194.4047 -149257.3214 298.6282 -183451.7261 -149154.3131 299.7408 -103.5191 -70.1017 557794.6304 2.8979 2.5765 PRESSURE: 2661600 192.719 -102.909 24.3231 -102.91 60.9391 -117.932 24.323 -117.931 -55.5716 GPRESSURE: 2661600 203.817 -157.091 56.688 -129.629 102.908 -92.55 38.7169 -90.0556 -27.9634 PRESSAVG: 2661600 -57.744 -38.3554 -55.274 -38.3554 54.5746 40.4855 -55.274 40.4854 -6.98796 GPRESSAVG: 2661600 -58.8011 -37.1025 -57.1811 -39.6724 55.8945 40.155 -52.8848 39.0815 -6.87159 TIMING: 2661600 CPU: 7933.61, 0.00300279/step Wall: 7933.61, 0.00300279/step, 1.95048 hours remaining, 207.484375 MB of memory in use. ENERGY: 2661600 781.8319 2051.6593 1956.8211 98.8800 -206303.2214 18014.4572 0.0000 0.0000 34243.3645 -149156.2074 299.0558 -183399.5719 -149059.4468 299.2762 66.0288 92.9205 557198.4203 -3.3858 -3.2594 PRESSURE: 2661800 164.666 -142.241 72.752 -142.242 -66.5978 113.499 72.7518 113.499 -11.7076 GPRESSURE: 2661800 121.055 -191.596 53.9257 -215.909 10.0788 -19.5823 166.777 116.722 59.7355 PRESSAVG: 2661800 -43.8558 -12.0081 4.75661 -12.008 15.6545 16.2801 4.75662 16.28 27.5615 GPRESSAVG: 2661800 -43.9538 -12.1573 5.7867 -12.5909 15.8302 16.4984 4.81107 17.6019 27.6209 TIMING: 2661800 CPU: 7934.21, 0.00298717/step Wall: 7934.21, 0.00298717/step, 1.94017 hours remaining, 207.484375 MB of memory in use. ENERGY: 2661800 753.0383 2093.4104 1911.3597 111.3297 -206401.7505 17916.4069 0.0000 0.0000 34181.9805 -149434.2249 298.5197 -183616.2054 -149337.0013 299.1561 28.7869 63.6231 555829.4691 -0.2133 -0.1675 PRESSURE: 2662000 25.0655 174.289 -57.0545 174.29 61.6348 -6.55264 -57.0556 -6.55273 -152.738 GPRESSURE: 2662000 51.8581 104.043 -83.5923 176.504 66.3985 82.2236 -34.8008 -33.4804 -87.1667 PRESSAVG: 2662000 32.3036 31.4683 29.1712 31.4683 -57.7746 13.7531 29.1711 13.753 46.6833 GPRESSAVG: 2662000 33.0962 28.3273 32.6253 35.0388 -59.4369 13.877 25.5827 12.9095 47.2442 TIMING: 2662000 CPU: 7934.8, 0.00298151/step Wall: 7934.8, 0.00298151/step, 1.93632 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: 2662000 729.9613 2054.0342 1953.6417 102.6571 -206404.0444 17937.8902 0.0000 0.0000 34218.4410 -149407.4189 298.8382 -183625.8599 -149304.9859 298.2247 -22.0126 10.3633 557902.4010 7.0708 6.9678 PRESSURE: 2662200 -110.544 -70.394 -171.177 -70.3941 414.57 -23.4799 -171.177 -23.4802 -106.762 GPRESSURE: 2662200 -72.2863 -36.0103 -218.111 -75.0846 470.511 -32.2694 -66.1296 19.1136 -119.866 PRESSAVG: 2662200 -17.1006 21.9437 -1.01443 21.9436 25.1699 25.5892 -1.01435 25.5892 13.9586 GPRESSAVG: 2662200 -16.7728 24.3788 -4.18265 21.9754 25.8069 25.7256 2.9992 26.2963 12.8227 TIMING: 2662200 CPU: 7935.4, 0.00296357/step Wall: 7935.4, 0.00296357/step, 1.92451 hours remaining, 207.484375 MB of memory in use. ENERGY: 2662200 733.7456 2128.9157 1929.5376 118.6083 -206582.0457 17951.9746 0.0000 0.0000 34382.1226 -149337.1414 300.2676 -183719.2640 -149248.1110 298.7782 65.7546 92.7861 558245.9348 7.3427 7.2856 PRESSURE: 2662400 -279.625 12.8924 -67.1864 12.8941 -524.244 130.714 -67.187 130.715 223.943 GPRESSURE: 2662400 -255.668 -20.2533 -104.659 48.6447 -480.584 118.078 4.37778 141.593 249.17 PRESSAVG: 2662400 26.3062 -18.0163 -29.0507 -18.0162 -36.5767 -10.908 -29.0506 -10.9079 -10.594 GPRESSAVG: 2662400 26.4358 -17.4125 -30.7824 -20.8811 -37.1015 -10.6469 -30.055 -10.6687 -9.74209 TIMING: 2662400 CPU: 7935.99, 0.00295841/step Wall: 7935.99, 0.00295841/step, 1.92099 hours remaining, 207.484375 MB of memory in use. ENERGY: 2662400 772.9000 2075.3850 1947.3666 123.1804 -206199.0861 17781.0770 0.0000 0.0000 34013.7507 -149485.4265 297.0505 -183499.1772 -149393.6827 298.5288 -193.3087 -162.3609 559658.4841 -6.9548 -6.8026 PRESSURE: 2662600 85.3466 37.7733 -28.5408 37.7735 -273.779 -181.97 -28.5389 -181.971 259.531 GPRESSURE: 2662600 104.146 -4.25623 -23.4725 33.9274 -191.654 -203.546 -95.8271 -144.497 250.541 PRESSAVG: 2662600 33.3635 8.16366 -5.95244 8.16376 -25.0674 -32.1993 -5.95242 -32.1993 21.9509 GPRESSAVG: 2662600 33.8374 9.98168 -4.38883 6.28171 -24.8077 -32.0061 -7.30483 -33.2896 20.8473 TIMING: 2662600 CPU: 7936.58, 0.0029755/step Wall: 7936.58, 0.0029755/step, 1.93192 hours remaining, 207.484375 MB of memory in use. ENERGY: 2662600 753.6045 2110.6614 1937.3319 115.5530 -206452.1911 17932.8802 0.0000 0.0000 34020.9465 -149581.2136 297.1134 -183602.1601 -149494.4634 298.2923 23.6997 54.3442 557234.5538 10.0823 9.9590 PRESSURE: 2662800 -53.6929 -61.7367 58.564 -61.7364 42.833 71.7176 58.5644 71.7174 -302.334 GPRESSURE: 2662800 -74.103 -69.4591 147.843 -14.2532 94.3683 55.5501 20.0242 25.8604 -233.943 PRESSAVG: 2662800 22.5171 3.81002 -19.3859 3.81004 -83.1676 -20.1818 -19.3859 -20.182 40.9224 GPRESSAVG: 2662800 21.0335 3.43968 -20.2451 6.58106 -82.4557 -20.3029 -19.3083 -20.3652 41.4787 TIMING: 2662800 CPU: 7937.18, 0.00298481/step Wall: 7937.18, 0.00298481/step, 1.93781 hours remaining, 207.484375 MB of memory in use. ENERGY: 2662800 721.8826 2073.9276 1926.6565 105.4148 -206140.3903 17768.8194 0.0000 0.0000 34006.7528 -149536.9367 296.9894 -183543.6895 -149444.8752 297.5393 -104.3980 -71.2258 559289.7825 -6.5760 -6.6478 PRESSURE: 2663000 -254.663 -11.6242 3.96947 -11.6232 -215.959 -162.003 3.97006 -162.002 -41.1888 GPRESSURE: 2663000 -243.336 -25.5573 37.5559 -5.54915 -124.097 -147.41 33.0524 -113.834 -22.7675 PRESSAVG: 2663000 0.168335 10.9626 32.7962 10.9627 -25.8636 -27.652 32.7963 -27.652 -3.39921 GPRESSAVG: 2663000 0.886795 8.00226 35.1521 13.3967 -26.5443 -27.2266 33.2039 -28.4415 -3.6008 TIMING: 2663000 CPU: 7937.78, 0.00298201/step Wall: 7937.78, 0.00298201/step, 1.93582 hours remaining, 207.484375 MB of memory in use. ENERGY: 2663000 743.2528 2041.2528 1949.1791 114.5703 -206146.2800 17666.2267 0.0000 0.0000 34194.4173 -149437.3812 298.6284 -183631.7985 -149343.9799 298.1485 -170.6035 -130.0670 559205.1436 -9.6982 -9.7528 PRESSURE: 2663200 10.2899 -160.335 39.7188 -160.335 260.267 -131.072 39.7179 -131.073 51.5359 GPRESSURE: 2663200 41.2243 -122.124 21.3047 -166.171 318.342 -180.07 -30.2506 -114.062 57.3238 PRESSAVG: 2663200 66.4308 -28.4454 45.6149 -28.4455 -16.1758 -24.9759 45.6149 -24.9759 -57.0091 GPRESSAVG: 2663200 65.6839 -28.2855 42.4992 -29.5472 -16.0952 -26.6592 45.9795 -22.0424 -56.4177 TIMING: 2663200 CPU: 7938.37, 0.00298968/step Wall: 7938.37, 0.00298968/step, 1.94064 hours remaining, 207.484375 MB of memory in use. ENERGY: 2663200 727.8994 2121.4219 1933.7892 103.2342 -206460.1028 17936.8321 0.0000 0.0000 34212.7772 -149424.1488 298.7887 -183636.9259 -149324.7207 298.4288 107.3643 138.9632 556883.1209 -2.2513 -2.2763 PRESSURE: 2663400 -331.74 -85.8291 -75.477 -85.8293 -125.892 108.078 -75.4779 108.078 -144.176 GPRESSURE: 2663400 -306.836 -44.9591 -26.0105 -59.5504 -116.346 101.369 -80.2278 64.3477 -67.4961 PRESSAVG: 2663400 20.1519 -64.5436 57.6391 -64.5436 45.145 -11.7876 57.6391 -11.7877 -19.5882 GPRESSAVG: 2663400 20.8606 -63.6612 60.4318 -65.8608 45.3481 -11.3881 56.913 -12.0931 -20.7743 TIMING: 2663400 CPU: 7938.98, 0.00300885/step Wall: 7938.98, 0.00300885/step, 1.95291 hours remaining, 207.484375 MB of memory in use. ENERGY: 2663400 720.5886 2105.3055 1955.3077 121.4150 -205447.0578 17361.4579 0.0000 0.0000 33765.2672 -149417.7159 294.8805 -183182.9831 -149324.2151 298.7816 -200.6029 -163.5593 558521.0713 15.2362 15.1448 PRESSURE: 2663600 -85.9945 -117.2 -50.0486 -117.201 -122.746 -65.1959 -50.0481 -65.1955 -202.041 GPRESSURE: 2663600 -27.8885 -116.839 -41.3258 -162.772 -149.825 -52.6384 -34.0532 -120.976 -130.617 PRESSAVG: 2663600 -29.5412 -57.2436 -18.6208 -57.2436 56.3331 15.7653 -18.6208 15.7652 -39.0719 GPRESSAVG: 2663600 -30.3258 -55.9041 -20.3617 -56.8338 55.611 15.7342 -17.4035 16.2477 -37.3631 TIMING: 2663600 CPU: 7939.57, 0.00299258/step Wall: 7939.57, 0.00299258/step, 1.94218 hours remaining, 207.484375 MB of memory in use. ENERGY: 2663600 759.9849 2044.1517 1943.9433 109.1432 -205825.4001 17659.8958 0.0000 0.0000 34003.5564 -149304.7247 296.9615 -183308.2811 -149208.1803 298.3807 -136.9269 -102.7769 559188.2506 -4.0933 -4.0260 PRESSURE: 2663800 -221.485 112.628 115.248 112.628 52.1321 -27.4144 115.248 -27.4142 -418.519 GPRESSURE: 2663800 -148.509 60.9178 68.592 69.6644 7.37324 -82.6628 102.926 8.72277 -349.636 PRESSAVG: 2663800 42.6926 -2.97826 8.84216 -2.97835 65.4309 21.1493 8.84208 21.1493 -102.681 GPRESSAVG: 2663800 42.0483 -5.11674 8.68837 -2.99745 66.6595 19.7357 9.18727 21.6575 -103.381 TIMING: 2663800 CPU: 7940.17, 0.00298404/step Wall: 7940.17, 0.00298404/step, 1.93647 hours remaining, 207.484375 MB of memory in use. ENERGY: 2663800 744.9624 2069.3087 1987.4399 112.4186 -206103.8794 17625.8642 0.0000 0.0000 34267.2940 -149296.5916 299.2648 -183563.8856 -149195.5868 298.7871 -195.9572 -163.5908 559429.1762 1.8142 1.7756 PRESSURE: 2664000 128.364 -148.689 104.691 -148.689 -43.3207 79.1354 104.69 79.1344 -80.0296 GPRESSURE: 2664000 145.528 -141.462 137.775 -228.212 67.0015 -15.2522 90.4636 100.022 -102.509 PRESSAVG: 2664000 1.83842 -43.1596 -14.4674 -43.1595 4.62295 0.555073 -14.4674 0.555048 -49.5366 GPRESSAVG: 2664000 3.21208 -42.8817 -14.1247 -43.193 3.90543 3.70735 -14.8383 -2.12204 -50.0292 TIMING: 2664000 CPU: 7940.77, 0.00299838/step Wall: 7940.77, 0.00299838/step, 1.94561 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: 2664000 745.6014 2096.4185 1946.4033 111.4770 -206647.6385 17986.6831 0.0000 0.0000 34549.8428 -149211.2124 301.7324 -183761.0552 -149110.3809 298.9059 1.6713 36.6734 557132.5665 -14.3584 -14.3039 PRESSURE: 2664200 -92.6334 -21.0499 -40.5677 -21.0504 -178.946 128.423 -40.5683 128.423 -80.0422 GPRESSURE: 2664200 -89.9205 0.832551 -33.7524 -59.8815 -166.106 180.702 15.155 86.4662 6.56142 PRESSAVG: 2664200 -31.1004 -53.6101 -1.53773 -53.61 2.72793 -16.1469 -1.53776 -16.147 28.5908 GPRESSAVG: 2664200 -31.3034 -53.6667 -1.23133 -53.8911 2.27435 -17.4324 -2.30358 -14.4058 28.6438 TIMING: 2664200 CPU: 7941.37, 0.00299855/step Wall: 7941.37, 0.00299855/step, 1.94556 hours remaining, 207.484375 MB of memory in use. ENERGY: 2664200 736.4831 2087.5802 1958.6918 116.4812 -206005.3204 17507.6037 0.0000 0.0000 34265.9217 -149332.5587 299.2528 -183598.4804 -149237.7292 299.6169 -117.2071 -83.1550 557253.3650 0.0728 -0.1284 LDB: ============= START OF LOAD BALANCING ============== 7944.8 LDB: ============== END OF LOAD BALANCING =============== 7944.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7944.8 LDB: ============= START OF LOAD BALANCING ============== 7945.1 LDB: Largest compute 4821 load 0.031366 is 26.6% of average load 0.118005 LDB: Average compute 0.001737 is 1.5% of average load 0.118005 LDB: TIME 7945.11 LOAD: AVG 0.118005 MAX 0.203777 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.672 MB LDB: TIME 7945.11 LOAD: AVG 0.118005 MAX 0.203777 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.672 MB LDB: TIME 7945.11 LOAD: AVG 0.118005 MAX 0.203777 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.672 MB LDB: ============== END OF LOAD BALANCING =============== 7945.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7945.11 PRESSURE: 2664400 -40.5714 -45.1447 -61.2466 -45.1463 83.9828 -36.1751 -61.246 -36.1769 121.494 GPRESSURE: 2664400 -41.0047 -106.386 -19.5823 -30.2442 171.551 -51.1143 -52.4089 12.1549 135.649 PRESSAVG: 2664400 10.4316 -33.6297 -41.1908 -33.6296 -19.7152 -30.4447 -41.1907 -30.4448 -2.45087 GPRESSAVG: 2664400 10.1673 -34.8123 -41.1492 -33.0258 -20.4759 -30.7692 -41.0763 -31.0403 -1.42883 TIMING: 2664400 CPU: 7941.98, 0.00306189/step Wall: 7941.98, 0.00306189/step, 1.98649 hours remaining, 207.605469 MB of memory in use. ENERGY: 2664400 770.1174 2064.2062 1940.4972 131.0556 -206162.5510 17928.5003 0.0000 0.0000 33986.9843 -149341.1900 296.8168 -183328.1743 -149238.7112 299.2004 54.9684 88.7317 556806.8140 -3.9115 -3.9125 PRESSURE: 2664600 -73.7814 1.69471 -213.971 1.69578 -71.5019 -80.3834 -213.97 -80.3839 -16.1256 GPRESSURE: 2664600 -29.2579 -43.8895 -131.199 77.7702 12.8675 -43.3417 -292.313 -101.618 -49.7637 PRESSAVG: 2664600 -57.6726 -13.7469 -79.6945 -13.747 22.2813 44.5598 -79.6944 44.5597 42.0094 GPRESSAVG: 2664600 -56.1251 -12.9788 -80.7902 -10.1261 22.7797 43.278 -80.4772 46.545 39.7405 TIMING: 2664600 CPU: 7942.58, 0.00300828/step Wall: 7942.58, 0.00300828/step, 1.95154 hours remaining, 207.605469 MB of memory in use. ENERGY: 2664600 758.9555 2127.4002 1958.3105 111.5345 -206655.7069 17937.7474 0.0000 0.0000 34561.5502 -149200.2086 301.8346 -183761.7588 -149095.3502 299.1712 -53.8030 -22.0514 556815.4448 2.2060 2.1317 PRESSURE: 2664800 -227.621 63.7299 27.7989 63.7301 80.2085 46.3856 27.799 46.3849 -91.3239 GPRESSURE: 2664800 -217.495 43.7346 -37.1955 88.8475 61.608 19.7052 36.7142 52.0947 17.4067 PRESSAVG: 2664800 -52.2207 40.7694 -64.4298 40.7695 -9.81274 -41.4599 -64.4298 -41.4601 89.5577 GPRESSAVG: 2664800 -52.9947 41.8663 -64.2121 36.8839 -9.29652 -38.4562 -63.5291 -44.0306 90.23 TIMING: 2664800 CPU: 7943.18, 0.00298699/step Wall: 7943.18, 0.00298699/step, 1.93756 hours remaining, 207.605469 MB of memory in use. ENERGY: 2664800 791.6692 2118.9383 1935.3226 114.7530 -206479.7953 18004.8212 0.0000 0.0000 34177.0437 -149337.2473 298.4766 -183514.2910 -149243.9935 298.9948 -79.5789 -46.1602 556126.8394 9.1748 9.3129 PRESSURE: 2665000 29.8546 -57.014 -23.6653 -57.0122 -129.852 -39.6058 -23.6655 -39.6058 95.8855 GPRESSURE: 2665000 58.6248 -15.0565 -30.4694 -64.9629 -52.1643 -92.1624 -16.1562 -30.3215 84.1143 PRESSAVG: 2665000 -29.1532 -16.0662 -54.3033 -16.0662 3.06661 39.9712 -54.3032 39.9712 -23.7371 GPRESSAVG: 2665000 -29.7023 -17.6509 -54.2313 -14.7576 3.10455 38.9112 -53.9389 42.1363 -22.6668 TIMING: 2665000 CPU: 7943.78, 0.00299399/step Wall: 7943.78, 0.00299399/step, 1.94194 hours remaining, 207.605469 MB of memory in use. ENERGY: 2665000 742.4245 2068.3756 1944.4505 111.1039 -206070.8466 17809.6361 0.0000 0.0000 34079.1691 -149315.6869 297.6219 -183394.8560 -149222.8297 298.8428 -1.3705 30.1916 557799.3914 -16.6079 -16.4215 PRESSURE: 2665200 45.4968 -54.6665 -38.5706 -54.6658 196.358 31.3357 -38.5702 31.3351 168.366 GPRESSURE: 2665200 68.6605 -75.9673 -28.3818 -52.0217 239.203 71.1665 -46.2483 15.2953 210.877 PRESSAVG: 2665200 36.5072 -14.2269 -37.6475 -14.2268 -63.1775 64.3807 -37.6476 64.3806 -15.8848 GPRESSAVG: 2665200 37.4387 -14.1684 -38.1944 -15.1446 -63.4919 63.3841 -37.4855 65.0027 -16.5516 TIMING: 2665200 CPU: 7944.38, 0.00300897/step Wall: 7944.38, 0.00300897/step, 1.95148 hours remaining, 207.605469 MB of memory in use. ENERGY: 2665200 739.7701 2105.3019 1943.6719 110.1563 -206662.8679 18201.5851 0.0000 0.0000 34357.1064 -149205.2763 300.0492 -183562.3827 -149114.3894 299.4208 136.7401 172.9133 557903.0342 -14.1850 -14.2016 PRESSURE: 2665400 85.0404 -52.3607 -64.3247 -52.3627 -8.72977 -33.7521 -64.3248 -33.752 208.968 GPRESSURE: 2665400 108.157 -10.8005 -108.084 -129.626 24.1103 13.5915 -39.5911 -103.927 254.374 PRESSAVG: 2665400 -35.7065 -31.4894 -17.7873 -31.4894 -11.9733 43.7377 -17.7872 43.7377 44.7492 GPRESSAVG: 2665400 -34.9487 -29.8997 -17.4117 -33.4534 -11.2227 43.5357 -17.945 43.1431 43.4983 TIMING: 2665400 CPU: 7944.99, 0.00304697/step Wall: 7944.99, 0.00304697/step, 1.97596 hours remaining, 207.605469 MB of memory in use. ENERGY: 2665400 724.7340 2090.8649 1970.9489 121.7977 -206200.7351 17916.0754 0.0000 0.0000 34244.1458 -149132.1684 299.0626 -183376.3142 -149038.1752 299.4050 95.0930 128.8806 558830.9187 -0.9769 -0.8910 PRESSURE: 2665600 192.586 -89.1447 -99.1197 -89.1441 27.0284 -15.3403 -99.1201 -15.3395 38.0693 GPRESSURE: 2665600 223.939 -108.354 -5.66736 -31.3875 75.9427 -29.4196 -173.61 30.6929 43.983 PRESSAVG: 2665600 -69.8929 -74.3191 -20.2531 -74.3192 64.788 42.8224 -20.2532 42.8224 -3.88823 GPRESSAVG: 2665600 -70.3561 -74.6224 -21.3062 -72.1206 63.7142 44.4941 -20.0289 40.7427 -2.69358 TIMING: 2665600 CPU: 7945.59, 0.00300831/step Wall: 7945.59, 0.00300831/step, 1.95072 hours remaining, 207.605469 MB of memory in use. ENERGY: 2665600 750.5092 2047.6306 1912.5580 108.0758 -206496.6682 17986.1254 0.0000 0.0000 34575.6788 -149116.0904 301.9580 -183691.7692 -149016.7202 299.9569 85.8945 114.6217 557734.2684 -2.9977 -3.1118 PRESSURE: 2665800 -224.785 -38.5108 -71.4752 -38.5112 -27.8013 73.9303 -71.4759 73.9285 -43.5497 GPRESSURE: 2665800 -253.733 29.2207 -23.6144 1.825 22.0713 -10.6362 -6.50739 155.624 25.9454 PRESSAVG: 2665800 32.8849 -8.55696 -9.4555 -8.55696 -43.5131 -12.6061 -9.45549 -12.6061 54.04 GPRESSAVG: 2665800 33.55 -8.79734 -9.65495 -8.69713 -43.8237 -14.3192 -10.5966 -10.2627 53.8068 TIMING: 2665800 CPU: 7946.19, 0.00298181/step Wall: 7946.19, 0.00298181/step, 1.93337 hours remaining, 207.605469 MB of memory in use. ENERGY: 2665800 779.9710 2130.0457 1928.3580 108.3055 -206148.8179 17760.4000 0.0000 0.0000 34212.6835 -149229.0542 298.7879 -183441.7377 -149128.3384 299.9931 -98.7120 -68.5720 558384.7290 14.4706 14.5110 PRESSURE: 2666000 166.837 38.0745 99.671 38.0737 130.858 -206.77 99.6705 -206.77 129.682 GPRESSURE: 2666000 172.632 110.022 96.5512 -97.0389 146.551 -143.267 136.745 -198.821 201.995 PRESSAVG: 2666000 -11.7963 20.831 56.7234 20.8308 -40.6532 29.2188 56.7234 29.2187 19.1105 GPRESSAVG: 2666000 -12.7874 20.7162 57.3632 19.4469 -39.3389 28.951 58.2521 29.9534 19.6851 TIMING: 2666000 CPU: 7946.79, 0.00297586/step Wall: 7946.79, 0.00297586/step, 1.92935 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: 2666000 732.2490 2089.8332 1962.1044 121.4760 -206586.9682 18042.9842 0.0000 0.0000 34235.6990 -149402.6224 298.9889 -183638.3214 -149306.2757 298.8559 142.4590 173.7260 556670.5911 -11.1130 -10.8137 PRESSURE: 2666200 240.907 -141.276 5.47415 -141.276 -125.973 67.3137 5.47401 67.3118 269.298 GPRESSURE: 2666200 268.189 -147.326 1.7783 -108.75 -107.826 83.1475 -19.2493 183.026 321.031 PRESSAVG: 2666200 28.3664 -4.60456 18.7062 -4.60462 -77.003 12.3764 18.7062 12.3764 75.6923 GPRESSAVG: 2666200 28.7677 -5.20526 17.7827 -3.84649 -78.2197 12.441 17.0437 11.3116 76.5218 TIMING: 2666200 CPU: 7947.38, 0.00299479/step Wall: 7947.38, 0.00299479/step, 1.94146 hours remaining, 207.605469 MB of memory in use. ENERGY: 2666200 704.2026 2046.7302 1977.7075 109.5227 -206299.7521 18009.9038 0.0000 0.0000 34272.1705 -149179.5146 299.3074 -183451.6852 -149085.0543 298.8316 128.0773 160.4643 557229.8749 9.0186 9.0233 PRESSURE: 2666400 354.975 -95.1883 73.5355 -95.1894 178.192 13.0761 73.5356 13.0746 108.622 GPRESSURE: 2666400 392.911 -65.2746 23.9653 -28.5205 204.819 -38.4637 77.5013 -34.3673 155.292 PRESSAVG: 2666400 8.26456 -17.3376 -6.97367 -17.3376 -44.5819 29.1936 -6.97367 29.1937 8.26148 GPRESSAVG: 2666400 9.19938 -16.555 -8.21659 -16.7771 -45.3757 29.9921 -3.48125 28.0696 8.56451 TIMING: 2666400 CPU: 7947.98, 0.00296914/step Wall: 7947.98, 0.00296914/step, 1.92467 hours remaining, 207.605469 MB of memory in use. ENERGY: 2666400 691.7057 2142.3603 1932.0597 105.3555 -206158.9503 18002.2686 0.0000 0.0000 34180.4799 -149104.7206 298.5066 -183285.2005 -149001.8305 298.9559 213.9294 251.0073 558875.4112 -9.3520 -9.2039 PRESSURE: 2666600 -92.461 -37.3987 284.506 -37.3989 -154.293 2.03302 284.505 2.03349 -40.2981 GPRESSURE: 2666600 -4.02082 15.2476 350.893 -37.3862 -120.764 35.4477 254.171 25.1861 -66.0536 PRESSAVG: 2666600 56.918 -6.20777 12.1959 -6.20777 -12.7486 10.5944 12.1959 10.5945 -16.5314 GPRESSAVG: 2666600 57.7836 -7.51977 13.5857 -4.93672 -12.4931 11.0063 8.64181 9.52011 -17.8562 TIMING: 2666600 CPU: 7948.57, 0.00296926/step Wall: 7948.57, 0.00296926/step, 1.92458 hours remaining, 207.605469 MB of memory in use. ENERGY: 2666600 751.5994 2112.9694 1955.3699 111.4634 -205782.3630 17633.2662 0.0000 0.0000 34163.7200 -149053.9746 298.3603 -183217.6946 -148958.7073 299.3028 -95.6840 -63.6130 560014.0840 9.2126 9.1448 PRESSURE: 2666800 -339.488 58.8226 221.222 58.8217 -218.455 -52.824 221.223 -52.8271 -227.68 GPRESSURE: 2666800 -314.501 -2.97628 194.072 61.4994 -159.322 -52.2795 165.615 -44.9701 -196.047 PRESSAVG: 2666800 -8.27469 -15.127 14.4364 -15.1271 -30.4608 6.92528 14.4363 6.92514 25.2793 GPRESSAVG: 2666800 -9.48769 -14.4421 17.4412 -17.3813 -29.8335 7.42031 14.2626 7.97139 25.8054 TIMING: 2666800 CPU: 7949.16, 0.00295468/step Wall: 7949.16, 0.00295468/step, 1.91496 hours remaining, 207.605469 MB of memory in use. ENERGY: 2666800 760.9894 2010.8845 1987.1520 124.8448 -205786.7371 17615.8668 0.0000 0.0000 34242.4915 -149044.5082 299.0482 -183286.9997 -148955.3365 299.3249 -261.8743 -223.2901 558973.6446 -4.4854 -4.5052 PRESSURE: 2667000 -156.739 -109.157 138.874 -109.157 -271.448 13.0213 138.874 13.0204 -277.53 GPRESSURE: 2667000 -108.576 -152.12 140.36 11.7518 -274.681 44.4691 137.753 -5.82555 -241.532 PRESSAVG: 2667000 -5.47772 -51.4395 12.8732 -51.4395 33.0932 -12.3018 12.8732 -12.3018 2.36991 GPRESSAVG: 2667000 -5.73386 -52.0174 10.1143 -50.9153 33.7976 -12.9272 13.1154 -12.5119 1.52078 TIMING: 2667000 CPU: 7949.77, 0.00301375/step Wall: 7949.77, 0.00301375/step, 1.95307 hours remaining, 207.605469 MB of memory in use. ENERGY: 2667000 785.2318 2088.3405 1950.4972 98.7723 -205971.3391 17543.7940 0.0000 0.0000 34311.2026 -149193.5007 299.6483 -183504.7034 -149098.5390 299.1542 -235.2392 -208.2631 559640.2472 9.9951 9.8615 PRESSURE: 2667200 142.775 23.2684 112.287 23.2677 54.6723 17.8729 112.287 17.8749 85.9466 GPRESSURE: 2667200 236.941 -58.8061 70.5288 99.1518 72.7284 -57.6161 133.817 24.2997 73.3036 PRESSAVG: 2667200 2.88151 -20.558 -3.46702 -20.558 -3.4485 -3.3488 -3.46705 -3.34882 -36.4336 GPRESSAVG: 2667200 4.29533 -22.1426 -3.36502 -18.3995 -4.79766 -2.63027 -4.35364 -2.67823 -36.3472 TIMING: 2667200 CPU: 7950.37, 0.00300913/step Wall: 7950.37, 0.00300913/step, 1.94991 hours remaining, 207.605469 MB of memory in use. ENERGY: 2667200 752.6407 2056.4114 1967.3998 118.9459 -206376.3276 18026.4403 0.0000 0.0000 34182.7962 -149271.6932 298.5269 -183454.4894 -149172.6353 299.6249 94.4645 127.6575 557033.4326 -12.3335 -12.2832 PRESSURE: 2667400 129.714 -8.17035 66.6974 -8.16919 7.2596 338.439 66.6975 338.439 -38.0982 GPRESSURE: 2667400 135.886 -66.3331 12.3453 -20.5805 77.7599 316.31 28.4333 387.631 -7.45116 PRESSAVG: 2667400 32.1783 2.2396 -2.88819 2.23967 -37.8026 -37.2162 -2.88817 -37.2161 4.14752 GPRESSAVG: 2667400 29.9392 3.57502 -2.34633 2.23225 -35.9516 -37.6793 -2.27138 -36.5337 4.84412 TIMING: 2667400 CPU: 7950.97, 0.00299793/step Wall: 7950.97, 0.00299793/step, 1.94249 hours remaining, 207.605469 MB of memory in use. ENERGY: 2667400 742.2670 2107.1581 1939.3334 106.6280 -206592.9447 18171.0620 0.0000 0.0000 34170.3008 -149356.1954 298.4177 -183526.4963 -149256.9830 298.6389 32.9584 68.7316 559081.4753 -0.4923 -0.3894 PRESSURE: 2667600 312.298 -34.3957 71.439 -34.3953 94.788 -72.1235 71.4397 -72.1247 -54.7989 GPRESSURE: 2667600 321.153 11.136 142.532 -23.0105 122.007 -61.5999 34.6595 -6.1916 4.41575 PRESSAVG: 2667600 23.1421 -11.5702 -15.6744 -11.5702 55.5313 -2.57302 -15.6744 -2.57314 -18.5335 GPRESSAVG: 2667600 24.6985 -9.88417 -16.2163 -14.4276 54.5915 -3.25154 -15.0539 -5.02703 -19.4975 TIMING: 2667600 CPU: 7951.56, 0.0029804/step Wall: 7951.56, 0.0029804/step, 1.93097 hours remaining, 207.605469 MB of memory in use. ENERGY: 2667600 746.5186 2102.1419 1943.5067 98.8826 -206502.0567 18057.2595 0.0000 0.0000 34141.1011 -149412.6464 298.1627 -183553.7475 -149327.1278 298.4981 117.4289 149.1920 557446.8135 20.0466 19.9308 PRESSURE: 2667800 -92.6171 -92.0478 -107.703 -92.0472 151.681 -7.53123 -107.703 -7.53115 154.16 GPRESSURE: 2667800 4.96201 -102.867 -46.2775 -109.208 145.6 -37.3761 -97.9068 75.6239 159.833 PRESSAVG: 2667800 70.2917 26.3381 49.8686 26.3381 -2.23954 -4.65544 49.8686 -4.6554 -48.0586 GPRESSAVG: 2667800 70.0846 25.2293 51.4206 26.3269 -1.44849 -4.95666 47.8292 -2.87622 -48.5345 TIMING: 2667800 CPU: 7952.17, 0.00302066/step Wall: 7952.17, 0.00302066/step, 1.95689 hours remaining, 207.605469 MB of memory in use. ENERGY: 2667800 762.3899 2088.9648 1950.0801 111.8510 -206481.4125 17875.5319 0.0000 0.0000 34352.8644 -149339.7304 300.0121 -183692.5948 -149250.7430 298.4172 71.0746 103.4647 556676.3964 6.6645 6.7005 PRESSURE: 2668000 8.43713 -303.58 -41.3168 -303.579 95.0165 -235.754 -41.3166 -235.755 177.41 GPRESSURE: 2668000 52.1463 -303.857 -49.6585 -265.134 136.856 -187.773 -131.376 -153.944 175.279 PRESSAVG: 2668000 -40.0606 -14.5221 19.4599 -14.5221 33.9525 -38.7088 19.4599 -38.709 -25.9572 GPRESSAVG: 2668000 -39.6917 -13.8695 18.5946 -12.0757 33.4041 -39.5707 19.404 -39.5531 -25.4397 TIMING: 2668000 CPU: 7952.77, 0.00299085/step Wall: 7952.77, 0.00299085/step, 1.9374 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: 2668000 747.0660 2074.8697 1961.3118 102.0599 -206497.3051 17897.9512 0.0000 0.0000 34331.9395 -149382.1069 299.8294 -183714.0464 -149281.1314 298.6105 93.6211 121.4272 557960.1348 -10.6885 -10.5758 PRESSURE: 2668200 28.6159 -2.97225 -15.8754 -2.97171 -161.202 -42.1732 -15.8755 -42.1731 -135.264 GPRESSURE: 2668200 81.3545 22.9918 -58.0947 -39.8501 -119.866 -30.0291 113.394 34.8255 -126.311 PRESSAVG: 2668200 -12.9774 -21.5381 -19.7363 -21.538 52.4267 -46.3077 -19.7365 -46.3078 -46.5309 GPRESSAVG: 2668200 -12.8389 -21.5527 -19.7872 -23.1938 52.3202 -44.2725 -18.0521 -47.2853 -46.9821 TIMING: 2668200 CPU: 7953.37, 0.00301807/step Wall: 7953.37, 0.00301807/step, 1.95487 hours remaining, 207.605469 MB of memory in use. ENERGY: 2668200 752.2487 2125.2805 1926.9294 128.0723 -206186.2775 17711.9327 0.0000 0.0000 34301.7393 -149240.0746 299.5656 -183541.8139 -149141.6418 298.8678 -89.2832 -54.9411 559207.2886 -2.3605 -2.5003 LDB: ============= START OF LOAD BALANCING ============== 7956.8 LDB: ============== END OF LOAD BALANCING =============== 7956.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7956.8 LDB: ============= START OF LOAD BALANCING ============== 7957.1 LDB: Largest compute 4821 load 0.029737 is 25.2% of average load 0.118053 LDB: Average compute 0.001733 is 1.5% of average load 0.118053 LDB: TIME 7957.1 LOAD: AVG 0.118053 MAX 0.207523 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.066 MB LDB: TIME 7957.1 LOAD: AVG 0.118053 MAX 0.207523 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.273 MB LDB: TIME 7957.1 LOAD: AVG 0.118053 MAX 0.207523 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7957.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7957.11 PRESSURE: 2668400 -201.974 -96.0846 27.917 -96.0844 -17.0477 -36.3056 27.9181 -36.3046 -24.4966 GPRESSURE: 2668400 -161.93 -119.448 -7.6562 -59.2052 16.6103 -70.0486 71.7465 -41.2208 -0.0508352 PRESSAVG: 2668400 6.03638 -21.2537 41.4452 -21.2537 32.2123 -21.6774 41.4452 -21.6775 -47.5261 GPRESSAVG: 2668400 5.26944 -23.0108 41.9883 -20.068 32.0074 -21.9976 41.3101 -19.7649 -46.8671 TIMING: 2668400 CPU: 7953.98, 0.00305056/step Wall: 7953.98, 0.00305056/step, 1.97575 hours remaining, 205.996094 MB of memory in use. ENERGY: 2668400 748.0365 2044.8058 1941.4404 111.2821 -205965.2845 17690.2272 0.0000 0.0000 34189.4655 -149240.0269 298.5851 -183429.4924 -149144.7022 298.9493 -81.1728 -48.4568 559233.5241 -3.0925 -3.1968 PRESSURE: 2668600 263.41 58.8162 21.8494 58.8164 -47.7255 -45.6474 21.8491 -45.6469 -125.615 GPRESSURE: 2668600 261.791 -2.34481 94.059 0.118023 23.8877 -114.255 -20.0461 -2.80498 -87.2794 PRESSAVG: 2668600 -16.9521 -67.7439 3.78217 -67.7438 63.3139 31.9724 3.78214 31.9723 -7.69771 GPRESSAVG: 2668600 -18.248 -67.9129 4.24634 -68.2966 63.4878 29.9102 4.5772 32.9736 -7.30849 TIMING: 2668600 CPU: 7954.58, 0.00300852/step Wall: 7954.58, 0.00300852/step, 1.94835 hours remaining, 206.195312 MB of memory in use. ENERGY: 2668600 750.4768 2119.4035 1940.8216 94.9583 -206293.0624 17946.1147 0.0000 0.0000 34249.4818 -149191.8057 299.1092 -183441.2875 -149093.4928 299.2380 30.0232 66.1332 557547.9684 12.8880 12.6438 PRESSURE: 2668800 -38.6515 -128.917 -17.2811 -128.916 167.113 -2.70313 -17.2808 -2.70342 -146.631 GPRESSURE: 2668800 -32.9009 -131.773 -34.5973 -26.7154 202.371 -4.79672 -34.5639 -19.998 -90.4306 PRESSAVG: 2668800 42.9055 -19.1587 18.4324 -19.1586 -10.4684 27.908 18.4324 27.908 -46.3614 GPRESSAVG: 2668800 43.477 -19.3859 18.1452 -18.309 -7.91486 28.2728 16.7947 27.8181 -48.6645 TIMING: 2668800 CPU: 7955.18, 0.00299852/step Wall: 7955.18, 0.00299852/step, 1.94171 hours remaining, 206.195312 MB of memory in use. ENERGY: 2668800 795.2631 2010.4747 1973.4240 100.3285 -206163.3780 17791.8303 0.0000 0.0000 34313.2415 -149178.8158 299.6661 -183492.0573 -149082.7887 299.5816 -6.0565 26.3466 556588.9043 -4.6415 -4.3674 PRESSURE: 2669000 221.775 -12.3638 125.262 -12.3641 239.969 -6.68379 125.263 -6.68434 -54.4733 GPRESSURE: 2669000 237.399 -40.1425 178.287 28.2487 276.179 -25.6155 159.166 -7.844 -12.1549 PRESSAVG: 2669000 42.6127 79.4905 23.8496 79.4905 37.7263 -20.9082 23.8495 -20.9082 -63.3781 GPRESSAVG: 2669000 42.4316 79.8563 22.6363 77.5117 35.6394 -19.1442 25.2184 -21.0632 -61.0715 TIMING: 2669000 CPU: 7955.78, 0.00301574/step Wall: 7955.78, 0.00301574/step, 1.95269 hours remaining, 206.195312 MB of memory in use. ENERGY: 2669000 761.5338 2068.2730 1929.2564 114.5062 -206296.2541 18044.3088 0.0000 0.0000 34379.6577 -148998.7183 300.2461 -183378.3760 -148905.5472 299.8589 135.7570 167.1411 556511.7376 5.6536 5.6665 PRESSURE: 2669200 -224.76 -5.16994 48.6981 -5.17034 -257.007 -174.579 48.6986 -174.579 -261.104 GPRESSURE: 2669200 -178.341 27.2358 18.3246 -39.2777 -245.891 -101.387 155.803 -220.666 -205.179 PRESSAVG: 2669200 -1.23808 -19.1584 -11.7843 -19.1583 8.29331 22.0785 -11.7843 22.0785 -13.4038 GPRESSAVG: 2669200 -1.53459 -19.0252 -11.8173 -19.1238 8.19804 21.4682 -13.3379 21.4979 -12.5886 TIMING: 2669200 CPU: 7956.39, 0.00301523/step Wall: 7956.39, 0.00301523/step, 1.95219 hours remaining, 206.195312 MB of memory in use. ENERGY: 2669200 745.5256 2122.2832 1959.5737 117.7514 -206004.0600 17477.1765 0.0000 0.0000 34439.4003 -149142.3493 300.7678 -183581.7496 -149044.6459 300.2400 -247.6234 -209.8036 556850.3302 -2.1162 -1.9751 PRESSURE: 2669400 -67.7071 138.845 -71.788 138.844 -25.9884 -87.2848 -71.7866 -87.2856 228.239 GPRESSURE: 2669400 -7.80919 201.602 -51.8396 122.848 20.3452 -122.423 -53.7419 -32.1603 214.041 PRESSAVG: 2669400 -4.3838 -12.2995 -16.703 -12.2996 23.6578 40.8219 -16.7029 40.8218 -3.69987 GPRESSAVG: 2669400 -3.94735 -12.1424 -15.4719 -10.6522 23.2709 41.355 -13.8645 42.8796 -3.65281 TIMING: 2669400 CPU: 7956.99, 0.00301402/step Wall: 7956.99, 0.00301402/step, 1.95124 hours remaining, 206.195312 MB of memory in use. ENERGY: 2669400 744.5194 2062.7100 1947.7629 107.8342 -206271.2465 17918.8237 0.0000 0.0000 34374.7067 -149114.8895 300.2029 -183489.5962 -149017.0449 299.8221 44.8477 75.5258 557177.9253 5.1914 5.2236 PRESSURE: 2669600 7.76743 166.367 176.086 166.368 110.128 -56.2405 176.086 -56.241 -169.512 GPRESSURE: 2669600 33.4318 71.5925 82.3898 171.044 105.244 13.2949 249.57 -26.1839 -95.0093 PRESSAVG: 2669600 -4.70206 45.5953 -35.1968 45.5952 89.6721 28.0023 -35.1968 28.0023 -46.3253 GPRESSAVG: 2669600 -5.20451 45.5181 -35.2116 44.6311 90.6089 27.2361 -36.2648 27.24 -46.0298 TIMING: 2669600 CPU: 7957.59, 0.00300835/step Wall: 7957.59, 0.00300835/step, 1.9474 hours remaining, 206.195312 MB of memory in use. ENERGY: 2669600 727.9729 2082.4247 1957.5855 124.5322 -206325.4570 17955.1902 0.0000 0.0000 34224.0491 -149253.7025 298.8871 -183477.7516 -149156.7106 300.0053 -17.2053 14.5556 557989.2587 12.8816 13.1249 PRESSURE: 2669800 105.271 -181.972 64.1153 -181.973 -38.1735 34.0832 64.114 34.0854 -93.936 GPRESSURE: 2669800 90.9402 -38.641 70.1195 -285.279 -9.34533 96.1239 43.2217 19.1672 -10.4399 PRESSAVG: 2669800 -15.9463 -18.2811 90.1676 -18.2812 39.6667 21.7888 90.1675 21.7888 -26.5564 GPRESSAVG: 2669800 -16.0524 -18.0471 89.5124 -17.7229 40.4932 23.7765 90.8772 20.6772 -26.8144 TIMING: 2669800 CPU: 7958.19, 0.00301623/step Wall: 7958.19, 0.00301623/step, 1.95234 hours remaining, 206.195312 MB of memory in use. ENERGY: 2669800 710.2704 2049.6774 1919.2161 117.3630 -206128.9248 17733.5849 0.0000 0.0000 34348.8472 -149249.9657 299.9770 -183598.8129 -149155.5538 299.0784 -8.9462 23.7183 558498.9485 -0.9453 -0.7912 PRESSURE: 2670000 169.97 29.8124 91.857 29.8126 126.956 64.242 91.8577 64.2418 243.102 GPRESSURE: 2670000 273.684 -16.4379 -7.06235 78.3074 136.092 169.01 148.777 -7.62885 221.569 PRESSAVG: 2670000 3.65958 -10.8737 58.9626 -10.8738 -41.2469 -84.5235 58.9627 -84.5235 21.9717 GPRESSAVG: 2670000 4.05675 -10.4064 58.9782 -12.713 -41.3153 -85.3372 56.7149 -84.3631 21.9259 TIMING: 2670000 CPU: 7958.8, 0.0030167/step Wall: 7958.8, 0.0030167/step, 1.95247 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: 2670000 726.5818 2098.2267 1946.7506 119.3533 -206621.0529 18080.6804 0.0000 0.0000 34206.5428 -149442.9174 298.7342 -183649.4602 -149347.9187 298.7883 180.0093 210.4485 557147.2391 -5.2052 -5.1109 PRESSURE: 2670200 86.5337 -69.1476 259.205 -69.1461 12.3886 -45.3058 259.206 -45.3071 -160.878 GPRESSURE: 2670200 122.237 -148.728 243.752 17.9782 32.1055 -137.368 217.027 -19.4913 -125.353 PRESSAVG: 2670200 -1.09428 -40.6035 40.6669 -40.6035 -10.422 -20.046 40.667 -20.0461 21.4225 GPRESSAVG: 2670200 -0.362159 -42.1523 41.5912 -37.6338 -11.8948 -18.8899 42.3932 -18.0699 21.4215 TIMING: 2670200 CPU: 7959.4, 0.00300404/step Wall: 7959.4, 0.00300404/step, 1.94411 hours remaining, 206.195312 MB of memory in use. ENERGY: 2670200 736.9069 2098.0924 1945.7110 112.2092 -206458.8228 17954.9615 0.0000 0.0000 34134.2275 -149476.7143 298.1027 -183610.9418 -149383.0877 297.9744 -20.6517 9.6630 559011.9591 3.3021 3.0548 PRESSURE: 2670400 -91.1271 -44.7752 -36.1633 -44.7739 -78.3826 -15.9724 -36.164 -15.9718 8.80133 GPRESSURE: 2670400 -50.9459 -71.9148 -73.1675 -46.4555 -40.59 37.1956 -23.955 -22.1331 29.671 PRESSAVG: 2670400 -74.0367 -28.4402 13.6231 -28.4402 49.9476 -16.267 13.6231 -16.2669 43.4735 GPRESSAVG: 2670400 -74.3849 -26.8201 12.8954 -29.2803 50.0641 -17.3961 13.7254 -17.5045 43.8293 TIMING: 2670400 CPU: 7959.99, 0.00297643/step Wall: 7959.99, 0.00297643/step, 1.92608 hours remaining, 206.195312 MB of memory in use. ENERGY: 2670400 751.6605 2099.0542 1935.3306 117.4107 -206338.9982 17913.4797 0.0000 0.0000 34225.7341 -149296.3284 298.9018 -183522.0625 -149197.8366 298.6324 -53.5695 -20.6216 559416.9409 6.4615 6.5028 PRESSURE: 2670600 9.66564 -194.552 -76.2638 -194.551 -37.4801 -11.1511 -76.2646 -11.1507 -95.4407 GPRESSURE: 2670600 83.0374 -232.538 -49.423 -120.327 -49.1257 -0.978441 -2.07511 24.974 -64.208 PRESSAVG: 2670600 -83.3576 3.81032 2.31812 3.81032 30.6875 9.54439 2.31817 9.54442 26.2834 GPRESSAVG: 2670600 -82.7393 3.13027 2.03202 3.44655 30.0445 8.64547 3.45116 9.90345 25.9089 TIMING: 2670600 CPU: 7960.59, 0.00299351/step Wall: 7960.59, 0.00299351/step, 1.93697 hours remaining, 206.195312 MB of memory in use. ENERGY: 2670600 716.2941 2061.7183 1944.8254 117.3562 -206155.6534 17585.6042 0.0000 0.0000 34344.4883 -149385.3670 299.9390 -183729.8553 -149284.5947 298.9001 -41.0851 -10.0988 557687.0900 -8.7955 -8.9287 PRESSURE: 2670800 111.291 31.6882 71.7834 31.6887 191.456 8.00284 71.7831 8.00325 -137.017 GPRESSURE: 2670800 136.128 3.76721 164.753 18.8042 259.759 8.64035 61.009 23.8159 -140.177 PRESSAVG: 2670800 -8.2609 -47.3413 22.822 -47.3414 -45.4869 2.74756 22.822 2.74756 36.8776 GPRESSAVG: 2670800 -7.88247 -45.963 23.4492 -46.4661 -44.4202 2.74333 21.6422 2.31956 36.1608 TIMING: 2670800 CPU: 7961.19, 0.00299196/step Wall: 7961.19, 0.00299196/step, 1.9358 hours remaining, 206.398438 MB of memory in use. ENERGY: 2670800 758.8821 2100.9755 1933.0730 126.4171 -206456.4892 18065.7182 0.0000 0.0000 34209.5975 -149261.8259 298.7609 -183471.4234 -149169.3360 299.1388 55.2433 85.2369 557996.3213 -5.6234 -5.3806 PRESSURE: 2671000 40.1573 -121.851 -98.9145 -121.852 -160.996 13.9083 -98.9151 13.9089 38.5539 GPRESSURE: 2671000 103.074 -70.5079 -77.4125 -150.603 -162.577 4.72556 -40.2932 40.9259 90.2229 PRESSAVG: 2671000 70.184 -46.282 40.067 -46.2821 -4.93848 2.90532 40.0671 2.90528 -2.68575 GPRESSAVG: 2671000 69.2562 -47.5272 40.0789 -45.9232 -4.78052 1.62487 39.6838 4.43265 -1.89978 TIMING: 2671000 CPU: 7961.79, 0.002974/step Wall: 7961.79, 0.002974/step, 1.92401 hours remaining, 206.398438 MB of memory in use. ENERGY: 2671000 698.8410 2097.0939 1970.7265 108.5262 -206152.7243 17860.4577 0.0000 0.0000 34235.0699 -149182.0092 298.9834 -183417.0791 -149086.2712 299.6379 -27.4284 10.2398 558322.2905 20.8533 20.8586 PRESSURE: 2671200 103.604 27.3912 -270.073 27.3927 -25.4628 -43.0114 -270.074 -43.009 72.9653 GPRESSURE: 2671200 148.027 38.645 -172.68 20.6294 4.92098 -18.6229 -207.123 -123.468 96.8209 PRESSAVG: 2671200 -52.2245 4.68752 24.6561 4.68753 50.6268 -38.0274 24.6561 -38.0274 31.9544 GPRESSAVG: 2671200 -51.5916 4.97322 23.9881 5.26897 49.788 -35.596 23.7457 -38.6855 31.9315 TIMING: 2671200 CPU: 7962.38, 0.00299266/step Wall: 7962.38, 0.00299266/step, 1.93592 hours remaining, 206.398438 MB of memory in use. ENERGY: 2671200 729.1817 2073.6617 1962.5157 113.2272 -206127.1589 17897.1851 0.0000 0.0000 34095.3610 -149256.0266 297.7633 -183351.3876 -149162.1150 299.1953 50.3690 83.2563 559190.9677 10.1189 10.0426 PRESSURE: 2671400 -283.632 -185.228 -80.3514 -185.228 40.1464 42.1722 -80.3515 42.1715 229.022 GPRESSURE: 2671400 -261.051 -219.12 -138.308 -96.744 92.1889 53.724 17.7603 42.6049 238.963 PRESSAVG: 2671400 -34.2273 34.7236 -20.8275 34.7235 46.0062 19.3328 -20.8275 19.333 -27.3515 GPRESSAVG: 2671400 -34.4369 33.3338 -23.0606 36.1206 47.1882 19.0089 -19.1753 17.5753 -27.9751 TIMING: 2671400 CPU: 7962.99, 0.00301134/step Wall: 7962.99, 0.00301134/step, 1.94784 hours remaining, 206.398438 MB of memory in use. ENERGY: 2671400 746.3765 2118.4426 1966.4998 113.3330 -206363.3726 17955.1002 0.0000 0.0000 34414.7851 -149048.8354 300.5529 -183463.6205 -148956.7183 299.8474 -4.8214 23.3668 559212.7587 -5.1909 -5.0746 PRESSURE: 2671600 11.8517 -55.6918 -3.13416 -55.6916 -253.551 10.8152 -3.13244 10.8146 201.911 GPRESSURE: 2671600 -4.1293 56.8228 -10.1209 -195.567 -189.643 -27.7852 79.9322 14.7987 235.247 PRESSAVG: 2671600 -39.7506 -14.3094 -41.2904 -14.3094 -58.9928 53.6658 -41.2904 53.6658 72.7328 GPRESSAVG: 2671600 -40.0717 -12.1313 -39.6439 -16.8466 -58.7125 51.7541 -42.0181 54.5176 72.9634 TIMING: 2671600 CPU: 7963.58, 0.00298767/step Wall: 7963.58, 0.00298767/step, 1.93236 hours remaining, 206.398438 MB of memory in use. ENERGY: 2671600 759.6586 2102.7518 1945.8016 120.5028 -206184.4361 17906.1459 0.0000 0.0000 34316.5158 -149033.0596 299.6947 -183349.5753 -148931.2739 299.7144 -13.2628 13.8251 559826.8153 -8.6702 -8.6069 PRESSURE: 2671800 109.774 -69.9213 10.6768 -69.9214 -224.364 -141.808 10.6766 -141.807 -43.3908 GPRESSURE: 2671800 129.398 -78.0795 15.6057 -47.4917 -149.568 -166.34 1.94133 -180.56 -37.2434 PRESSAVG: 2671800 -15.056 30.5965 -15.5085 30.5964 33.7656 -16.8136 -15.5085 -16.8138 -4.01733 GPRESSAVG: 2671800 -13.9068 29.6492 -16.165 30.9914 32.6423 -14.1634 -13.3505 -16.0252 -3.50007 TIMING: 2671800 CPU: 7964.18, 0.00297914/step Wall: 7964.18, 0.00297914/step, 1.92668 hours remaining, 206.398438 MB of memory in use. ENERGY: 2671800 733.1246 2121.4613 1948.1679 118.2296 -205730.4352 17417.4427 0.0000 0.0000 34209.2180 -149182.7910 298.7576 -183392.0091 -149091.4838 298.9745 -52.6605 -19.1377 557016.3889 4.8974 5.0785 PRESSURE: 2672000 333.763 -44.3742 143.156 -44.3725 254.656 -126.857 143.155 -126.857 -150.581 GPRESSURE: 2672000 317.836 22.9779 107.932 -47.423 306.876 -163.086 128.651 -141.411 -78.8076 PRESSAVG: 2672000 27.7828 12.6376 44.2642 12.6377 -36.1515 -28.6241 44.2641 -28.624 16.5292 GPRESSAVG: 2672000 26.7431 12.7243 44.9542 12.7524 -35.3109 -29.7765 43.5486 -29.2466 16.6 TIMING: 2672000 CPU: 7964.78, 0.00300966/step Wall: 7964.78, 0.00300966/step, 1.94625 hours remaining, 206.398438 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: 2672000 738.3540 2136.1310 1937.4463 108.6997 -206610.8771 18102.6132 0.0000 0.0000 34358.5342 -149229.0987 300.0616 -183587.6330 -149125.4872 299.0334 145.9460 181.9681 557781.7960 2.7201 2.6774 PRESSURE: 2672200 24.525 10.3949 -34.2998 10.3957 94.259 97.057 -34.3004 97.0547 32.1512 GPRESSURE: 2672200 74.2312 15.3274 -97.4132 -89.2892 110.215 65.8174 -2.88227 8.57147 68.5769 PRESSAVG: 2672200 -53.165 -10.984 30.0354 -10.9839 38.5387 -21.0931 30.0353 -21.0932 -8.77783 GPRESSAVG: 2672200 -53.096 -11.1451 30.6662 -11.8834 37.1608 -21.1482 30.809 -19.3601 -7.84607 TIMING: 2672200 CPU: 7965.38, 0.00300514/step Wall: 7965.38, 0.00300514/step, 1.94315 hours remaining, 206.398438 MB of memory in use. ENERGY: 2672200 746.7777 2099.2176 1938.2951 102.2367 -206415.8199 17930.1369 0.0000 0.0000 34346.0687 -149253.0870 299.9528 -183599.1558 -149154.6155 299.8467 50.3117 84.3409 557270.0884 -7.8014 -7.9271 LDB: ============= START OF LOAD BALANCING ============== 7968.81 LDB: ============== END OF LOAD BALANCING =============== 7968.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7968.82 LDB: ============= START OF LOAD BALANCING ============== 7969.12 LDB: Largest compute 4821 load 0.031101 is 26.3% of average load 0.118048 LDB: Average compute 0.001740 is 1.5% of average load 0.118048 LDB: TIME 7969.12 LOAD: AVG 0.118048 MAX 0.207417 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 7969.12 LOAD: AVG 0.118048 MAX 0.207417 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: TIME 7969.12 LOAD: AVG 0.118048 MAX 0.207417 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 7969.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7969.13 PRESSURE: 2672400 -248.775 -38.8483 200.348 -38.8487 -171.095 -28.1749 200.348 -28.1763 -161.935 GPRESSURE: 2672400 -207.52 -141.903 126.072 -24.3928 -151.899 -13.1831 302.835 -93.5366 -124.179 PRESSAVG: 2672400 -32.2278 -37.4294 35.5496 -37.4295 31.4681 40.2723 35.5495 40.2723 7.62979 GPRESSAVG: 2672400 -32.1646 -39.4314 35.5989 -36.6508 32.5688 39.1575 33.0069 38.647 6.35514 TIMING: 2672400 CPU: 7966, 0.0030635/step Wall: 7966, 0.0030635/step, 1.98072 hours remaining, 205.941406 MB of memory in use. ENERGY: 2672400 770.6315 2115.0816 1963.6941 137.8467 -206097.6359 17519.9298 0.0000 0.0000 34519.7350 -149070.7172 301.4694 -183590.4521 -148969.0332 299.7591 -193.9349 -161.1994 558179.0279 2.2900 2.2531 PRESSURE: 2672600 -149.501 -66.3076 191.186 -66.3077 -45.5966 69.8863 191.187 69.8865 -287.077 GPRESSURE: 2672600 -88.5798 -90.2523 185.162 -16.9296 11.5967 42.9781 207.179 56.3639 -305.61 PRESSAVG: 2672600 -26.986 -23.1056 39.5962 -23.1057 11.0662 -40.1452 39.5963 -40.1451 4.1444 GPRESSAVG: 2672600 -25.7187 -20.6463 38.9296 -23.8223 10.2239 -39.6364 39.9832 -39.1409 3.71596 TIMING: 2672600 CPU: 7966.59, 0.00298936/step Wall: 7966.59, 0.00298936/step, 1.93262 hours remaining, 206.144531 MB of memory in use. ENERGY: 2672600 727.8397 2119.2660 1946.9333 111.0532 -205779.9390 17554.9074 0.0000 0.0000 34191.5820 -149128.3574 298.6036 -183319.9394 -149034.1231 299.8537 -160.7249 -127.5310 559315.0846 -3.9251 -3.9263 PRESSURE: 2672800 -32.8373 69.1154 -20.9398 69.1159 62.7123 -89.3624 -20.9401 -89.3636 20.5426 GPRESSURE: 2672800 -61.3539 78.9878 2.83453 7.77019 124.457 -87.8963 -25.418 -60.9968 85.194 PRESSAVG: 2672800 1.03789 5.47316 31.0335 5.4732 17.3543 -74.0643 31.0334 -74.0643 10.9467 GPRESSAVG: 2672800 -1.16308 4.3684 31.6638 5.26795 17.1645 -72.9555 30.0326 -75.4607 12.7008 TIMING: 2672800 CPU: 7967.19, 0.00299269/step Wall: 7967.19, 0.00299269/step, 1.93461 hours remaining, 206.144531 MB of memory in use. ENERGY: 2672800 740.0827 2097.5685 1936.3385 102.5491 -206106.6480 17780.4528 0.0000 0.0000 34154.0530 -149295.6034 298.2758 -183449.6564 -149200.7002 299.1758 16.8058 49.4324 558749.9144 9.7796 9.5674 PRESSURE: 2673000 -46.1716 -40.9567 176.744 -40.9573 -23.4232 3.91139 176.744 3.91216 -156.608 GPRESSURE: 2673000 -50.3549 -39.4142 177.193 6.99653 -11.4387 113.333 172.318 -19.7205 -64.0364 PRESSAVG: 2673000 52.137 4.75257 44.5941 4.75269 41.5731 -25.7827 44.594 -25.7827 -19.1903 GPRESSAVG: 2673000 52.3763 5.35089 44.053 4.32034 41.8715 -27.2414 46.7333 -25.8493 -19.5659 TIMING: 2673000 CPU: 7967.79, 0.00299929/step Wall: 7967.79, 0.00299929/step, 1.93871 hours remaining, 206.144531 MB of memory in use. ENERGY: 2673000 747.3684 2071.2911 1914.7023 107.4428 -205973.6973 17651.8764 0.0000 0.0000 34256.8152 -149224.2011 299.1733 -183481.0163 -149130.2803 298.9853 -75.4009 -41.9433 558111.4544 24.8400 24.8940 PRESSURE: 2673200 -191.516 -135.268 41.6998 -135.268 118.873 85.3972 41.6998 85.3972 34.3617 GPRESSURE: 2673200 -110.297 -176.152 49.336 -61.0691 103.699 164.803 -74.0663 46.52 65.8476 PRESSAVG: 2673200 23.6128 -19.923 -12.1475 -19.923 7.44059 10.0254 -12.1475 10.0256 -39.3682 GPRESSAVG: 2673200 23.311 -17.6692 -13.1688 -19.981 9.03839 10.8081 -13.8192 11.041 -40.8196 TIMING: 2673200 CPU: 7968.39, 0.00300796/step Wall: 7968.39, 0.00300796/step, 1.94414 hours remaining, 206.144531 MB of memory in use. ENERGY: 2673200 767.4080 2111.6094 1936.2076 102.8536 -206575.6310 18112.3260 0.0000 0.0000 34260.6114 -149284.6150 299.2064 -183545.2263 -149191.5716 298.7434 -12.7604 19.7497 558478.9171 -2.7716 -2.8234 PRESSURE: 2673400 171.224 59.026 31.0099 59.0259 17.7824 106.966 31.01 106.966 111.803 GPRESSURE: 2673400 173.62 109.341 74.8569 8.77317 22.5813 106.7 15.2068 2.10791 196.628 PRESSAVG: 2673400 -50.6318 12.2893 11.1896 12.2892 69.0015 6.14681 11.1896 6.14683 -48.5417 GPRESSAVG: 2673400 -49.3505 10.7081 11.0855 14.134 66.6771 9.07863 13.7216 4.23133 -48.2938 TIMING: 2673400 CPU: 7968.99, 0.00300041/step Wall: 7968.99, 0.00300041/step, 1.9391 hours remaining, 206.144531 MB of memory in use. ENERGY: 2673400 739.3811 2106.4304 1957.5457 101.3093 -206381.2258 17975.9860 0.0000 0.0000 34128.8067 -149371.7667 298.0554 -183500.5734 -149279.3801 298.8121 100.2696 130.9431 556789.1101 -10.0573 -10.3224 PRESSURE: 2673600 231.146 -47.5822 -47.2569 -47.5823 97.2081 109.724 -47.2556 109.725 -46.9353 GPRESSURE: 2673600 224.14 19.6035 -28.4756 -19.7411 149.23 63.4333 -20.5342 139.737 -3.49593 PRESSAVG: 2673600 -26.6575 -14.7913 22.289 -14.7914 30.7336 24.1625 22.2889 24.1625 -30.7964 GPRESSAVG: 2673600 -29.8266 -15.289 23.1719 -18.7951 32.4345 21.3357 21.1675 26.032 -30.423 TIMING: 2673600 CPU: 7969.59, 0.0029981/step Wall: 7969.59, 0.0029981/step, 1.93744 hours remaining, 206.144531 MB of memory in use. ENERGY: 2673600 712.5606 2114.6344 1921.1981 110.7277 -206220.5446 17878.3314 0.0000 0.0000 34246.9113 -149236.1812 299.0868 -183483.0924 -149142.4980 298.5690 93.8062 123.2912 556306.1931 -8.9068 -9.2717 PRESSURE: 2673800 197.746 -44.88 -9.881 -44.8793 263.169 -128.469 -9.88061 -128.469 75.1249 GPRESSURE: 2673800 231.379 -121.79 48.3321 -51.3827 262.661 -26.5453 -93.4124 -195.788 129.091 PRESSAVG: 2673800 -89.1797 13.09 9.12803 13.09 55.1237 28.0351 9.12795 28.0352 -19.9374 GPRESSAVG: 2673800 -88.1636 12.9379 8.19998 16.7149 53.4812 27.8435 8.9268 26.5607 -19.3114 TIMING: 2673800 CPU: 7970.2, 0.00301038/step Wall: 7970.2, 0.00301038/step, 1.94521 hours remaining, 206.144531 MB of memory in use. ENERGY: 2673800 717.8772 2078.1349 1963.7698 98.7216 -206262.8745 18099.1295 0.0000 0.0000 34197.2174 -149108.0242 298.6528 -183305.2416 -149018.6950 299.0094 178.6798 207.7102 557113.2148 -17.9978 -17.9979 PRESSURE: 2674000 56.3918 224.771 112.502 224.771 -213.597 84.1556 112.502 84.1557 -370.361 GPRESSURE: 2674000 76.1217 171.617 89.2453 226.331 -164.65 98.1303 58.828 84.9234 -340.744 PRESSAVG: 2674000 54.6337 25.7623 13.8498 25.7622 -7.31511 22.1778 13.8499 22.178 -17.4354 GPRESSAVG: 2674000 55.362 24.0547 15.3169 24.2985 -7.6757 24.2213 13.9326 22.2997 -17.4328 TIMING: 2674000 CPU: 7970.8, 0.00300522/step Wall: 7970.8, 0.00300522/step, 1.94171 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: 2674000 719.4410 2117.3702 1923.6522 114.6523 -205425.1269 17335.2610 0.0000 0.0000 34239.6698 -148975.0804 299.0236 -183214.7502 -148880.4860 299.4562 -175.8555 -143.0909 558973.0483 9.9611 10.0845 PRESSURE: 2674200 -45.4007 69.229 110.943 69.2292 336.709 34.3249 110.943 34.3263 36.346 GPRESSURE: 2674200 -38.9975 64.6046 15.6931 90.868 335.482 110.612 186.67 -77.31 138.117 PRESSAVG: 2674200 -23.9456 -10.6814 32.6864 -10.6814 84.8623 5.40269 32.6863 5.40269 -45.84 GPRESSAVG: 2674200 -23.6896 -8.72361 32.1172 -10.0676 84.481 4.85968 33.1955 4.58752 -45.479 TIMING: 2674200 CPU: 7971.39, 0.00298359/step Wall: 7971.39, 0.00298359/step, 1.92757 hours remaining, 206.144531 MB of memory in use. ENERGY: 2674200 745.5863 2123.3261 1936.8786 104.4521 -206341.5769 18033.2072 0.0000 0.0000 34319.7723 -149078.3544 299.7231 -183398.1266 -148980.7361 299.7235 109.2181 144.8670 559436.3058 5.0256 5.1041 PRESSURE: 2674400 137.691 38.18 173.348 38.1805 -54.8085 -36.2865 173.348 -36.2858 -14.8718 GPRESSURE: 2674400 200.147 37.5732 240.829 53.0434 -0.0142553 -137.702 135.479 -28.7627 -35.9191 PRESSAVG: 2674400 -78.4264 50.5748 -32.8239 50.5748 83.9504 -1.25014 -32.8238 -1.25017 -44.5946 GPRESSAVG: 2674400 -78.0827 49.7729 -33.19 50.8471 85.1204 -1.48215 -33.1882 -1.27011 -45.4851 TIMING: 2674400 CPU: 7971.99, 0.0029803/step Wall: 7971.99, 0.0029803/step, 1.92527 hours remaining, 206.144531 MB of memory in use. ENERGY: 2674400 760.8535 2091.9436 1928.9439 110.7638 -206248.3268 17859.2824 0.0000 0.0000 34232.8233 -149263.7163 298.9638 -183496.5396 -149166.9733 299.4382 22.6702 54.7378 558305.6252 -13.0235 -12.8158 PRESSURE: 2674600 160.223 -1.4812 39.2082 -1.48122 75.7588 -28.3106 39.2106 -28.3101 46.5051 GPRESSURE: 2674600 163.823 146.614 -8.29447 -81.849 128.318 -14.9252 36.4587 -87.7254 95.6277 PRESSAVG: 2674600 29.3332 34.6152 -15.7225 34.6151 -19.4074 -51.2989 -15.7225 -51.299 15.142 GPRESSAVG: 2674600 28.644 36.4924 -16.0918 31.992 -18.3692 -53.8278 -16.5226 -49.1959 14.4564 TIMING: 2674600 CPU: 7972.59, 0.00298855/step Wall: 7972.59, 0.00298855/step, 1.93044 hours remaining, 206.144531 MB of memory in use. ENERGY: 2674600 704.4276 2137.7428 1930.6120 105.4941 -206481.9925 18014.7796 0.0000 0.0000 34167.0311 -149421.9053 298.3892 -183588.9365 -149325.8396 298.4095 94.1624 129.2563 558232.9215 8.3559 8.2437 PRESSURE: 2674800 -118.471 -5.5867 -136.325 -5.58607 20.8678 -52.6934 -136.325 -52.6933 -90.9713 GPRESSURE: 2674800 -46.652 -31.8118 -140.678 14.0598 6.99026 34.7684 -165.168 -58.804 -34.7753 PRESSAVG: 2674800 33.6017 43.088 -0.873149 43.0881 38.4188 -45.3259 -0.873128 -45.326 -36.025 GPRESSAVG: 2674800 34.0038 41.5827 -0.425035 44.6326 37.8193 -46.6354 -1.98813 -43.5953 -35.7223 TIMING: 2674800 CPU: 7973.18, 0.00296559/step Wall: 7973.18, 0.00296559/step, 1.91544 hours remaining, 206.144531 MB of memory in use. ENERGY: 2674800 712.2396 2136.9469 1926.2817 112.9784 -206490.5229 17832.1148 0.0000 0.0000 34153.4316 -149616.5298 298.2704 -183769.9613 -149524.6906 298.6658 -62.8581 -24.8123 557822.3889 11.9985 12.0336 PRESSURE: 2675000 -19.7208 -136.122 -60.8581 -136.123 37.569 -135.214 -60.8597 -135.212 51.0485 GPRESSURE: 2675000 87.3385 -187.755 -116.202 -21.755 63.1301 -119.098 -143.192 -143.344 18.1245 PRESSAVG: 2675000 -49.5533 -15.3406 -27.471 -15.3406 47.8035 -36.7882 -27.471 -36.7882 55.3238 GPRESSAVG: 2675000 -50.1289 -14.6687 -27.6185 -16.2149 48.4356 -34.8821 -27.1024 -38.8818 55.5323 TIMING: 2675000 CPU: 7973.78, 0.00299961/step Wall: 7973.78, 0.00299961/step, 1.93725 hours remaining, 206.144531 MB of memory in use. ENERGY: 2675000 754.5240 2047.0726 1927.4760 107.9004 -206978.6760 18174.9735 0.0000 0.0000 34271.6820 -149695.0474 299.3031 -183966.7294 -149604.8779 297.5368 22.9656 56.1977 556157.9064 17.8580 17.9463 PRESSURE: 2675200 -4.87734 103.595 6.41477 103.595 269.398 9.4058 6.41554 9.40534 61.282 GPRESSURE: 2675200 26.4269 91.2174 -2.83109 84.4304 291.82 -14.8761 -53.851 -21.869 109.156 PRESSAVG: 2675200 -34.6351 -4.29385 -4.94968 -4.2938 -8.78711 -19.7172 -4.94966 -19.7172 51.8556 GPRESSAVG: 2675200 -33.5751 -3.53461 -2.80917 -5.29273 -9.10284 -19.5258 -5.46185 -18.4102 50.7206 TIMING: 2675200 CPU: 7974.38, 0.00300202/step Wall: 7974.38, 0.00300202/step, 1.93864 hours remaining, 206.144531 MB of memory in use. ENERGY: 2675200 724.8521 2076.2920 1957.4971 110.4624 -206564.0373 18008.4314 0.0000 0.0000 34118.4185 -149568.0838 297.9646 -183686.5024 -149479.4950 297.9726 108.6008 142.4676 556941.6785 2.8112 2.6809 PRESSURE: 2675400 -169.431 0.0900464 83.1383 0.0906056 22.8013 -44.5961 83.1376 -44.5963 -98.202 GPRESSURE: 2675400 -138.076 132.498 116.45 -112.597 41.1518 45.5732 -2.02011 3.60707 -40.8811 PRESSAVG: 2675400 -46.5749 -22.367 42.8292 -22.367 10.9105 -6.12829 42.8291 -6.12833 37.8653 GPRESSAVG: 2675400 -45.3114 -23.5182 40.4039 -21.9906 10.4678 -4.69295 43.5011 -7.52901 37.66 TIMING: 2675400 CPU: 7974.98, 0.00299279/step Wall: 7974.98, 0.00299279/step, 1.93251 hours remaining, 206.144531 MB of memory in use. ENERGY: 2675400 741.1077 2049.8156 1941.6514 118.4601 -206487.7421 17836.3786 0.0000 0.0000 34234.0962 -149566.2324 298.9749 -183800.3286 -149470.3077 298.4119 -81.6107 -45.9350 557683.4505 0.7337 0.9388 PRESSURE: 2675600 64.2514 -20.85 136.209 -20.8503 61.6605 -10.3792 136.209 -10.3797 -342.331 GPRESSURE: 2675600 109.356 -11.3205 211.53 10.8982 79.2659 62.6259 145.995 -51.8936 -291.269 PRESSAVG: 2675600 -17.6394 -7.89334 17.1615 -7.89339 39.2635 57.5552 17.1616 57.5552 -26.5757 GPRESSAVG: 2675600 -18.9479 -7.27948 17.624 -6.96185 39.0764 58.4733 17.7533 56.9858 -25.2568 TIMING: 2675600 CPU: 7975.58, 0.00299184/step Wall: 7975.58, 0.00299184/step, 1.93173 hours remaining, 206.144531 MB of memory in use. ENERGY: 2675600 752.4870 2092.3872 1944.6497 112.2474 -206612.1893 17820.9614 0.0000 0.0000 34260.0499 -149629.4067 299.2015 -183889.4566 -149535.6181 298.5636 -72.1396 -34.2157 557689.0679 -1.6505 -1.7095 PRESSURE: 2675800 -9.53175 -185.132 -46.5628 -185.133 16.7044 138.605 -46.5633 138.605 264.359 GPRESSURE: 2675800 72.171 -62.7207 13.8524 -268.084 44.503 126.956 -115.671 185.104 257.71 PRESSAVG: 2675800 41.7299 6.33636 2.6197 6.33646 -31.0324 -4.41067 2.61983 -4.4106 -53.2037 GPRESSAVG: 2675800 41.7657 7.11019 3.09751 4.19456 -32.2218 -6.03773 1.60359 -4.53814 -52.2206 TIMING: 2675800 CPU: 7976.17, 0.00297365/step Wall: 7976.17, 0.00297365/step, 1.91982 hours remaining, 206.144531 MB of memory in use. ENERGY: 2675800 727.0486 2129.9432 1927.7097 114.0162 -206624.6379 17979.4267 0.0000 0.0000 34133.5849 -149612.9087 298.0971 -183746.4935 -149517.1831 297.8713 90.5107 124.7946 556968.1119 -14.1687 -14.2255 PRESSURE: 2676000 -121.521 -118.047 -21.9005 -118.048 265.254 -132.702 -21.9003 -132.702 127.583 GPRESSURE: 2676000 11.1743 -182.531 -51.7942 -70.9525 242.971 -95.6074 -59.9399 -63.8109 117.39 PRESSAVG: 2676000 25.0861 -3.26448 22.2834 -3.26447 -24.556 20.7593 22.2832 20.7591 4.5698 GPRESSAVG: 2676000 24.3291 -7.86829 19.1529 -0.951199 -23.7164 22.3628 24.7286 20.553 4.06141 TIMING: 2676000 CPU: 7976.77, 0.0029917/step Wall: 7976.77, 0.0029917/step, 1.93131 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: 2676000 719.4991 2120.3827 1898.4254 119.5663 -206582.0160 17918.0756 0.0000 0.0000 34267.8526 -149538.2143 299.2697 -183806.0670 -149439.0029 297.9809 90.4386 123.8453 556447.0056 1.7000 1.5580 PRESSURE: 2676200 80.8871 -227.86 5.01024 -227.861 -36.9294 93.7778 5.00895 93.7778 32.7087 GPRESSURE: 2676200 -20.3331 -181.382 -90.818 -226.634 27.8357 -18.9695 -28.8173 98.933 150.833 PRESSAVG: 2676200 -2.26752 -1.42206 -14.7635 -1.42211 39.2407 -7.20693 -14.7635 -7.20691 19.925 GPRESSAVG: 2676200 -3.19651 2.13041 -14.3495 -3.32454 40.1649 -9.44571 -15.133 -5.25603 20.0214 TIMING: 2676200 CPU: 7977.37, 0.00299248/step Wall: 7977.37, 0.00299248/step, 1.93165 hours remaining, 206.144531 MB of memory in use. ENERGY: 2676200 739.6745 2125.9707 1922.7439 109.6736 -206356.3373 17829.1617 0.0000 0.0000 34293.2636 -149335.8492 299.4916 -183629.1128 -149235.4777 299.1086 25.5555 52.7784 556788.8015 18.9661 18.9966 LDB: ============= START OF LOAD BALANCING ============== 7980.8 LDB: ============== END OF LOAD BALANCING =============== 7980.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7980.8 LDB: ============= START OF LOAD BALANCING ============== 7981.11 LDB: Largest compute 4821 load 0.029900 is 25.3% of average load 0.118021 LDB: Average compute 0.001736 is 1.5% of average load 0.118021 LDB: TIME 7981.11 LOAD: AVG 0.118021 MAX 0.210942 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 7981.11 LOAD: AVG 0.118021 MAX 0.210942 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.188 MB LDB: TIME 7981.11 LOAD: AVG 0.118021 MAX 0.210942 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.188 MB LDB: ============== END OF LOAD BALANCING =============== 7981.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7981.11 PRESSURE: 2676400 -174.406 -26.6613 -40.9319 -26.6603 -256.672 -110.582 -40.9321 -110.581 411.335 GPRESSURE: 2676400 -119.715 40.9087 -108.355 19.7407 -208.569 -134.258 -19.0679 -89.692 411.819 PRESSAVG: 2676400 5.98684 -62.9048 -26.5564 -62.9049 -26.7273 3.44869 -26.5564 3.44874 29.2439 GPRESSAVG: 2676400 7.24628 -59.1437 -26.7235 -62.3564 -28.7111 4.77765 -26.2934 1.13053 29.6076 TIMING: 2676400 CPU: 7977.99, 0.00308177/step Wall: 7977.99, 0.00308177/step, 1.98911 hours remaining, 205.871094 MB of memory in use. ENERGY: 2676400 752.4170 2081.5486 1927.7340 128.4292 -206295.3402 17808.7120 0.0000 0.0000 34325.7694 -149270.7299 299.7755 -183596.4993 -149175.4003 298.9194 -6.5809 27.8451 557002.3178 2.8345 2.7143 PRESSURE: 2676600 25.5712 145.733 58.2034 145.734 -12.2495 -30.44 58.2052 -30.4416 298.464 GPRESSURE: 2676600 71.5137 86.7099 37.2532 213.159 -12.674 -44.7292 118.042 -12.2139 333.863 PRESSAVG: 2676600 -15.6502 -27.6962 -11.6619 -27.6961 -26.6904 -39.9054 -11.6618 -39.9054 20.9502 GPRESSAVG: 2676600 -16.2898 -33.1801 -9.27371 -26.0391 -26.3454 -41.2718 -12.2423 -39.9758 21.0248 TIMING: 2676600 CPU: 7978.58, 0.00299379/step Wall: 7978.58, 0.00299379/step, 1.93216 hours remaining, 205.871094 MB of memory in use. ENERGY: 2676600 732.1783 2053.5754 1912.5971 120.3805 -206305.0887 17926.8605 0.0000 0.0000 34179.6602 -149379.8366 298.4995 -183559.4968 -149276.0198 298.9452 103.9285 130.9010 558265.2391 -7.1301 -7.2035 PRESSURE: 2676800 -62.966 -95.3565 38.0999 -95.3563 132.107 85.4846 38.1002 85.4838 -71.0957 GPRESSURE: 2676800 -57.2143 -137.169 36.474 -25.9381 158.967 98.559 20.6431 87.6336 -9.84596 PRESSAVG: 2676800 24.7617 -14.6785 -33.8461 -14.6784 -35.5398 -13.141 -33.846 -13.141 34.5681 GPRESSAVG: 2676800 23.1087 -13.1089 -32.6445 -16.8544 -34.5471 -11.8521 -34.7098 -12.5685 34.7991 TIMING: 2676800 CPU: 7979.19, 0.00300888/step Wall: 7979.19, 0.00300888/step, 1.94173 hours remaining, 205.871094 MB of memory in use. ENERGY: 2676800 724.3499 2130.3110 1947.9789 114.7580 -206063.5080 17719.6872 0.0000 0.0000 34371.6995 -149054.7234 300.1766 -183426.4229 -148956.5484 298.7422 -0.6515 30.6355 557849.7648 7.9300 7.7869 PRESSURE: 2677000 258.663 -2.93783 127.478 -2.93757 -51.3497 73.2753 127.477 73.275 -252.018 GPRESSURE: 2677000 260.644 62.3488 86.8299 -21.8169 -49.2544 204 158.195 87.4662 -162.002 PRESSAVG: 2677000 21.649 18.1986 0.882089 18.1986 -51.463 10.7514 0.88202 10.7513 24.37 GPRESSAVG: 2677000 23.022 18.9334 1.46631 18.0496 -51.449 12.3921 0.937489 9.74425 22.9623 TIMING: 2677000 CPU: 7979.78, 0.00299402/step Wall: 7979.78, 0.00299402/step, 1.93197 hours remaining, 205.871094 MB of memory in use. ENERGY: 2677000 734.7167 2125.3896 1929.1892 108.8623 -206058.0965 17641.6620 0.0000 0.0000 34558.5973 -148959.6795 301.8088 -183518.2768 -148860.0239 299.6992 -14.9014 16.4626 557594.0932 -1.8146 -1.8216 PRESSURE: 2677200 -268.2 79.7649 8.09263 79.7643 -97.1101 202.377 8.09374 202.378 -176.445 GPRESSURE: 2677200 -239.678 5.31978 38.6983 94.7652 7.96586 170.986 -41.6215 243.847 -209.093 PRESSAVG: 2677200 24.586 34.2441 8.3323 34.2441 -22.2674 17.7556 8.33215 17.7557 -26.7648 GPRESSAVG: 2677200 23.6503 33.2789 6.52676 34.4666 -22.0694 17.5707 9.14636 17.7371 -26.0364 TIMING: 2677200 CPU: 7980.39, 0.00300322/step Wall: 7980.39, 0.00300323/step, 1.93775 hours remaining, 205.871094 MB of memory in use. ENERGY: 2677200 740.8963 2105.4364 1943.5103 111.4727 -206033.6172 17675.9866 0.0000 0.0000 34319.6961 -149136.6187 299.7224 -183456.3148 -149035.5056 299.6282 -180.5849 -146.9351 557977.0665 -8.1487 -8.1518 PRESSURE: 2677400 -411.127 -160.699 113.841 -160.698 -301.868 -102.245 113.841 -102.244 -350.083 GPRESSURE: 2677400 -423.668 -187.724 84.1618 -101.654 -267.709 -152.724 129.357 -92.0863 -289.944 PRESSAVG: 2677400 -5.82406 -42.1475 -42.3674 -42.1475 -51.6628 13.9618 -42.3674 13.9617 59.9078 GPRESSAVG: 2677400 -5.74204 -41.8338 -40.2545 -39.9758 -51.587 13.0671 -43.7725 13.3753 60.2163 TIMING: 2677400 CPU: 7980.99, 0.00299986/step Wall: 7980.99, 0.00299986/step, 1.93541 hours remaining, 205.871094 MB of memory in use. ENERGY: 2677400 777.1167 2103.5022 1942.7535 121.6137 -205662.9154 17215.1273 0.0000 0.0000 34416.7015 -149086.1004 300.5696 -183502.8019 -148986.8936 299.8866 -354.3592 -327.1070 559192.8292 0.8070 0.9624 PRESSURE: 2677600 11.3322 -78.2565 -108.306 -78.2563 -111.337 -13.4506 -108.306 -13.4498 -9.77691 GPRESSURE: 2677600 26.0578 -67.0206 -115.484 -75.0718 -125.375 31.6472 -113.815 -165.129 74.6541 PRESSAVG: 2677600 15.2281 -57.008 -28.0348 -57.008 -49.405 50.321 -28.0348 50.3211 11.636 GPRESSAVG: 2677600 16.8083 -55.5352 -27.8153 -59.7663 -49.2759 50.048 -27.8761 52.5456 9.92313 TIMING: 2677600 CPU: 7981.58, 0.00298354/step Wall: 7981.58, 0.00298354/step, 1.92471 hours remaining, 205.871094 MB of memory in use. ENERGY: 2677600 794.2178 2064.9330 1957.9952 116.9153 -205839.7446 17686.4025 0.0000 0.0000 34250.8748 -148968.4060 299.1214 -183219.2808 -148870.2865 299.9532 -36.5938 -8.2211 558829.8596 -7.5136 -7.5148 PRESSURE: 2677800 52.7568 -58.7656 1.13643 -58.7651 0.843638 -50.8728 1.13737 -50.8721 94.989 GPRESSURE: 2677800 67.2594 -16.0486 5.48204 -143.863 52.017 -41.2744 11.737 -15.2243 118.781 PRESSAVG: 2677800 -49.1759 9.12871 -10.6836 9.12875 -20.987 -66.4177 -10.6836 -66.4178 42.9495 GPRESSAVG: 2677800 -49.6333 6.6347 -11.8797 11.5781 -20.8885 -66.8779 -9.08059 -65.9442 42.9693 TIMING: 2677800 CPU: 7982.18, 0.00298785/step Wall: 7982.18, 0.00298785/step, 1.92733 hours remaining, 205.871094 MB of memory in use. ENERGY: 2677800 744.4556 2150.0812 1927.8713 112.6006 -206117.2127 17847.2440 0.0000 0.0000 34380.7360 -148954.2241 300.2555 -183334.9601 -148858.4650 300.1369 49.5298 79.3526 559069.3087 -9.0711 -9.1842 PRESSURE: 2678000 -43.4431 66.7947 49.4625 66.7935 154.809 -162.779 49.4627 -162.779 146.745 GPRESSURE: 2678000 -60.2195 133.977 48.762 -76.0076 183.818 -133.729 30.7203 -106.296 239.958 PRESSAVG: 2678000 -10.8853 11.7919 -14.1439 11.7919 32.7269 4.00656 -14.1438 4.00643 40.6218 GPRESSAVG: 2678000 -11.0234 14.1609 -15.675 10.8976 32.5596 3.16359 -15.2756 2.3979 41.1569 TIMING: 2678000 CPU: 7982.78, 0.00298631/step Wall: 7982.78, 0.00298631/step, 1.92617 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: 2678000 727.0635 2072.9425 1963.9458 120.7023 -205880.1730 17860.8670 0.0000 0.0000 34154.2555 -148980.3964 298.2776 -183134.6519 -148880.2677 299.6340 86.0371 121.1856 559454.1924 20.8211 20.8977 PRESSURE: 2678200 70.6605 -164.12 -13.357 -164.122 -51.851 -22.1471 -13.3562 -22.1471 16.6844 GPRESSURE: 2678200 94.6563 -247.244 -1.28904 -82.6741 -23.5307 -128.234 -89.2705 71.3689 57.5391 PRESSAVG: 2678200 -67.3847 33.1349 -5.71151 33.1349 -23.0309 -31.6894 -5.71152 -31.6895 43.5929 GPRESSAVG: 2678200 -68.0752 33.4184 -5.43546 31.9908 -22.9056 -31.4675 -6.36669 -29.09 44.2172 TIMING: 2678200 CPU: 7983.38, 0.00299804/step Wall: 7983.38, 0.00299804/step, 1.93357 hours remaining, 205.871094 MB of memory in use. ENERGY: 2678200 715.6011 2103.3503 1957.5183 112.3880 -206061.5426 17895.6783 0.0000 0.0000 34292.2771 -148984.7295 299.4830 -183277.0066 -148896.7138 300.2014 11.8313 42.8883 558957.1029 -15.6076 -15.5879 PRESSURE: 2678400 69.2206 59.8201 96.8375 59.8202 100.018 -189.282 96.8384 -189.281 -105.99 GPRESSURE: 2678400 86.5355 -13.6602 57.7426 66.2602 124.252 -61.6217 84.7539 -187.429 -49.2419 PRESSAVG: 2678400 34.8559 84.8829 6.33348 84.883 -30.923 -7.69644 6.3335 -7.6964 20.2362 GPRESSAVG: 2678400 35.926 81.8319 6.67303 88.9514 -31.5627 -5.52669 7.82621 -10.3667 19.5628 TIMING: 2678400 CPU: 7983.97, 0.00298557/step Wall: 7983.97, 0.00298557/step, 1.92536 hours remaining, 206.058594 MB of memory in use. ENERGY: 2678400 726.2423 2136.5845 1949.8019 103.9512 -205978.9463 17876.3332 0.0000 0.0000 34383.2958 -148802.7376 300.2779 -183186.0333 -148707.3369 299.5745 21.0827 53.8487 559322.8929 8.0563 7.9754 PRESSURE: 2678600 -322.623 147.571 26.7032 147.572 -57.7937 -130.193 26.7036 -130.193 -228.992 GPRESSURE: 2678600 -245.316 77.1368 54.4112 178.762 -58.4846 -109.241 -45.2878 -112.024 -204.53 PRESSAVG: 2678600 -5.56871 31.2426 -19.2986 31.2426 29.6913 -51.8945 -19.2985 -51.8946 -25.7918 GPRESSAVG: 2678600 -7.02732 31.1515 -20.1307 27.6312 31.5787 -52.4001 -20.437 -51.6361 -25.5496 TIMING: 2678600 CPU: 7984.58, 0.00301943/step Wall: 7984.58, 0.00301943/step, 1.94703 hours remaining, 206.058594 MB of memory in use. ENERGY: 2678600 735.1741 2147.8913 1947.9230 100.2194 -205525.6908 17548.1743 0.0000 0.0000 34296.4315 -148749.8772 299.5193 -183046.3087 -148661.4368 300.5773 -203.1362 -169.4438 560392.4505 -0.5564 -0.3327 PRESSURE: 2678800 -144.843 -7.05813 -110.82 -7.05787 -159.03 -78.0122 -110.822 -78.0108 -69.3679 GPRESSURE: 2678800 -111.661 -33.614 -210.9 50.2402 -165.052 -130.748 -33.6507 -50.782 -4.36553 PRESSAVG: 2678800 -31.9885 57.6485 -22.2113 57.6485 -5.35516 -66.1745 -22.2113 -66.1745 25.0648 GPRESSAVG: 2678800 -31.4295 59.4629 -21.4177 59.4524 -7.13132 -65.1796 -20.8033 -67.6824 25.8438 TIMING: 2678800 CPU: 7985.18, 0.00299896/step Wall: 7985.18, 0.00299896/step, 1.93366 hours remaining, 206.058594 MB of memory in use. ENERGY: 2678800 776.2771 2143.6721 1973.3419 107.8525 -206039.0303 17843.0322 0.0000 0.0000 34495.3428 -148699.5117 301.2564 -183194.8545 -148608.0629 300.3005 -124.4136 -93.6928 560088.1576 -4.0930 -4.2390 PRESSURE: 2679000 -138.68 -112.13 100.837 -112.129 -280.247 12.3974 100.837 12.3979 4.76293 GPRESSURE: 2679000 -151.79 -166.902 119.887 23.4697 -200.764 -13.0567 56.3937 -30.0451 33.3155 PRESSAVG: 2679000 -2.26932 41.3676 -28.2517 41.3675 23.0875 -13.1981 -28.2519 -13.1982 -14.0137 GPRESSAVG: 2679000 -0.855219 42.1504 -28.926 37.7245 23.4889 -13.4645 -28.2235 -12.4162 -16.2684 TIMING: 2679000 CPU: 7985.78, 0.00300123/step Wall: 7985.78, 0.00300123/step, 1.93496 hours remaining, 206.058594 MB of memory in use. ENERGY: 2679000 816.7980 2140.9841 1959.2283 108.9593 -205726.3346 17650.9292 0.0000 0.0000 34203.4958 -148845.9397 298.7076 -183049.4356 -148748.8475 300.6150 -138.0549 -106.4128 557989.3391 2.2682 2.1217 PRESSURE: 2679200 -28.3897 68.6361 -26.6352 68.6358 -117.069 -147.803 -26.6362 -147.804 95.9482 GPRESSURE: 2679200 17.6435 179.914 -28.448 -39.3005 -98.8583 -142.252 -19.9083 -57.8829 137.898 PRESSAVG: 2679200 -8.16917 36.3293 -19.1086 36.3294 -15.6654 -54.0889 -19.1086 -54.089 23.3967 GPRESSAVG: 2679200 -8.72546 38.2173 -17.5188 36.4015 -16.0318 -56.1003 -20.2506 -54.2039 24.0528 TIMING: 2679200 CPU: 7986.37, 0.00297625/step Wall: 7986.37, 0.00297625/step, 1.91869 hours remaining, 206.058594 MB of memory in use. ENERGY: 2679200 759.3301 2102.0579 1976.0338 106.6454 -206433.2979 18060.8384 0.0000 0.0000 34573.2496 -148855.1427 301.9368 -183428.3923 -148765.3341 299.7576 -16.5036 18.8943 559713.4815 -0.1460 -0.2348 PRESSURE: 2679400 -222.051 -53.8959 30.7405 -53.8956 -133.326 76.7411 30.7411 76.7405 -59.3249 GPRESSURE: 2679400 -213.434 19.2152 12.0482 -41.7447 -114.225 116.425 17.4214 30.5773 -13.6937 PRESSAVG: 2679400 -88.5833 -38.6032 -39.1416 -38.6033 -23.4269 -6.68783 -39.1416 -6.68788 56.3547 GPRESSAVG: 2679400 -89.8748 -41.6581 -41.1874 -38.6872 -22.164 -7.16189 -37.9103 -6.4717 56.5207 TIMING: 2679400 CPU: 7986.97, 0.00297626/step Wall: 7986.97, 0.00297626/step, 1.91853 hours remaining, 206.058594 MB of memory in use. ENERGY: 2679400 775.8848 2107.7641 1943.4655 104.5713 -206183.1953 17755.0444 0.0000 0.0000 34520.7189 -148975.7463 301.4780 -183496.4652 -148871.5499 300.4767 -138.2341 -113.7842 559420.0765 -18.5518 -18.5060 PRESSURE: 2679600 138.242 -133.169 26.02 -133.169 -8.12322 -107.06 26.0203 -107.061 -275.892 GPRESSURE: 2679600 112.822 -168.023 -10.0931 -26.3758 52.9785 -134.51 91.089 -100.559 -211.391 PRESSAVG: 2679600 24.8656 -46.7273 5.84163 -46.7274 1.12283 -44.869 5.84166 -44.8689 -3.43615 GPRESSAVG: 2679600 25.3694 -46.654 6.12095 -44.4525 1.23207 -42.8027 5.94608 -45.3432 -4.24448 TIMING: 2679600 CPU: 7987.56, 0.00297584/step Wall: 7987.56, 0.00297584/step, 1.9181 hours remaining, 206.058594 MB of memory in use. ENERGY: 2679600 745.2297 2130.8291 1937.1302 116.4205 -205965.9028 17591.8024 0.0000 0.0000 34506.0977 -148938.3933 301.3503 -183444.4910 -148843.2739 300.5710 -48.5912 -15.1968 558297.2244 7.5174 7.4523 PRESSURE: 2679800 -4.16924 -115.31 -262.31 -115.31 30.216 261.223 -262.309 261.224 154.625 GPRESSURE: 2679800 40.9258 -59.7058 -204.394 -118.026 55.5143 289.269 -306.426 259.142 185.756 PRESSAVG: 2679800 84.6173 -9.55266 -23.4833 -9.55266 -55.4066 54.1891 -23.4834 54.1891 -16.8678 GPRESSAVG: 2679800 83.9234 -6.31206 -23.1446 -11.5503 -56.4335 53.8861 -24.362 54.1895 -15.2208 TIMING: 2679800 CPU: 7988.16, 0.00297737/step Wall: 7988.16, 0.00297737/step, 1.91891 hours remaining, 206.058594 MB of memory in use. ENERGY: 2679800 733.9849 2095.1304 1934.1395 108.0118 -206002.2633 17776.8579 0.0000 0.0000 34291.5059 -149062.6328 299.4763 -183354.1387 -148970.8209 300.4394 60.2239 94.0654 558666.1820 4.1143 4.0897 PRESSURE: 2680000 -18.5454 101.17 52.652 101.17 -224.008 39.8286 52.652 39.8304 39.7318 GPRESSURE: 2680000 2.49108 94.1495 101.842 73.0273 -195.098 -31.1367 38.0503 1.99929 99.9816 PRESSAVG: 2680000 49.6453 -6.01798 -20.5911 -6.0179 -136.577 30.1622 -20.5912 30.1623 27.0127 GPRESSAVG: 2680000 49.6474 -9.55324 -20.8517 -4.18614 -134.858 31.1706 -19.7679 29.4977 26.2539 TIMING: 2680000 CPU: 7988.76, 0.00298962/step Wall: 7988.76, 0.00298962/step, 1.92664 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: 2680000 758.9900 2065.1346 1964.7695 108.0725 -205990.6394 17801.3208 0.0000 0.0000 34272.7565 -149019.5954 299.3125 -183292.3519 -148918.7026 299.6759 -67.6070 -30.8752 558155.7679 -19.9729 -19.6522 PRESSURE: 2680200 -92.9309 -23.6249 -111.448 -23.6251 -146.621 128.997 -111.449 129 -245.89 GPRESSURE: 2680200 -58.0787 -40.6206 -25.7983 -67.6865 -109.844 105.779 -168.124 193.478 -227.849 PRESSAVG: 2680200 22.4411 33.0509 -12.226 33.0509 1.18464 -57.2666 -12.2262 -57.2667 -10.4909 GPRESSAVG: 2680200 23.0206 36.4829 -12.1597 31.2997 0.309346 -57.4846 -11.9634 -57.125 -10.2477 TIMING: 2680200 CPU: 7989.36, 0.00299865/step Wall: 7989.36, 0.00299865/step, 1.9323 hours remaining, 206.058594 MB of memory in use. ENERGY: 2680200 782.6784 2055.1202 1947.2809 118.7748 -205719.5399 17499.0814 0.0000 0.0000 34644.0163 -148672.5880 302.5548 -183316.6043 -148582.9752 300.0876 -161.8139 -131.9241 557401.6670 4.3783 4.3608 LDB: ============= START OF LOAD BALANCING ============== 7992.79 LDB: ============== END OF LOAD BALANCING =============== 7992.79 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7992.79 LDB: ============= START OF LOAD BALANCING ============== 7993.1 LDB: Largest compute 4821 load 0.031061 is 26.3% of average load 0.117952 LDB: Average compute 0.001727 is 1.5% of average load 0.117952 LDB: TIME 7993.1 LOAD: AVG 0.117952 MAX 0.205715 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.422 MB LDB: TIME 7993.1 LOAD: AVG 0.117952 MAX 0.205715 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.426 MB LDB: TIME 7993.1 LOAD: AVG 0.117952 MAX 0.205715 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.426 MB LDB: ============== END OF LOAD BALANCING =============== 7993.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 7993.1 PRESSURE: 2680400 121.454 95.9134 128.129 95.9134 -4.35228 1.90553 128.129 1.90623 -0.0733527 GPRESSURE: 2680400 131.451 71.8748 29.0242 117.262 96.7367 -103.777 125.845 45.6826 -12.5803 PRESSAVG: 2680400 12.0811 15.7515 -57.7874 15.7514 -13.2488 -19.9004 -57.7875 -19.9005 -11.452 GPRESSAVG: 2680400 13.2761 14.4599 -58.2963 16.4549 -13.2726 -21.3739 -56.3347 -19.7179 -12.0887 TIMING: 2680400 CPU: 7989.97, 0.00309186/step Wall: 7989.97, 0.00309186/step, 1.99219 hours remaining, 205.933594 MB of memory in use. ENERGY: 2680400 770.6063 2097.1858 1960.8677 125.9721 -205763.0642 17738.1415 0.0000 0.0000 34412.6983 -148657.5925 300.5347 -183070.2908 -148566.1992 300.4939 39.0095 71.8691 556780.4052 -4.2066 -4.0284 PRESSURE: 2680600 -3.25684 -27.3304 -123.003 -27.3302 253.843 50.2762 -123.002 50.2763 35.014 GPRESSURE: 2680600 42.4367 -76.332 -124.886 33.5105 200.353 72.8559 -65.7877 61.5444 140.323 PRESSAVG: 2680600 9.34006 55.6237 1.93 55.6238 35.4753 5.18419 1.92993 5.18412 -1.59491 GPRESSAVG: 2680600 7.00355 55.1576 3.59961 56.1495 36.0744 6.34577 1.69164 4.65612 0.0183708 TIMING: 2680600 CPU: 7990.57, 0.00300178/step Wall: 7990.57, 0.00300178/step, 1.93398 hours remaining, 206.136719 MB of memory in use. ENERGY: 2680600 765.9170 2077.1780 1939.0852 113.1986 -206197.5942 18094.8747 0.0000 0.0000 34405.9513 -148801.3893 300.4757 -183207.3406 -148712.6458 300.7478 95.1999 127.7044 558757.8882 14.4068 14.3654 PRESSURE: 2680800 -82.7567 66.6133 93.3224 66.6128 -179.098 -28.0193 93.3221 -28.0201 -50.428 GPRESSURE: 2680800 -56.1337 71.7996 129.214 38.8624 -169.602 -55.0975 120.406 49.3966 14.865 PRESSAVG: 2680800 -53.5059 38.9854 14.3696 38.9855 -31.3263 -39.2851 14.3696 -39.2851 39.0528 GPRESSAVG: 2680800 -52.5719 36.6264 13.2471 38.9467 -31.6181 -39.2664 14.0232 -39.6712 38.0393 TIMING: 2680800 CPU: 7991.18, 0.00300261/step Wall: 7991.18, 0.00300261/step, 1.93435 hours remaining, 206.136719 MB of memory in use. ENERGY: 2680800 742.0283 2109.5742 1941.8779 103.4771 -205748.1481 17745.2521 0.0000 0.0000 34421.0655 -148684.8730 300.6077 -183105.9386 -148585.7486 300.3371 -104.0944 -70.2901 560750.3021 -15.2598 -15.3835 PRESSURE: 2681000 112.67 0.754883 -53.8827 0.754666 -20.9126 -55.92 -53.8828 -55.9206 78.8211 GPRESSURE: 2681000 144.689 -42.821 -50.229 89.6971 38.2014 -65.379 -31.3389 -45.9534 83.243 PRESSAVG: 2681000 -5.5736 -31.1618 17.8102 -31.1617 -60.8148 -8.71904 17.8101 -8.719 39.6833 GPRESSAVG: 2681000 -5.76451 -31.0993 16.6276 -30.3893 -60.1879 -10.3034 18.1236 -6.46271 39.4029 TIMING: 2681000 CPU: 7991.78, 0.00300799/step Wall: 7991.78, 0.00300799/step, 1.93765 hours remaining, 206.136719 MB of memory in use. ENERGY: 2681000 721.7052 2094.8151 1928.3559 104.7080 -206148.5179 17861.3566 0.0000 0.0000 34628.4289 -148809.1482 302.4187 -183437.5771 -148711.8984 300.5174 56.8596 88.7113 558917.4502 -8.9017 -8.8498 PRESSURE: 2681200 16.3761 65.3663 -18.0255 65.3651 -343.072 13.1406 -18.025 13.1406 -41.1852 GPRESSURE: 2681200 -6.67556 33.8172 64.211 68.5528 -256.427 -57.1077 3.22018 -6.85917 -7.50463 PRESSAVG: 2681200 -21.6425 -37.3401 7.57658 -37.3401 30.9651 15.0939 7.57654 15.0939 6.36906 GPRESSAVG: 2681200 -20.7932 -36.5527 7.83877 -39.3315 29.5638 14.0365 8.4727 15.2172 7.3547 TIMING: 2681200 CPU: 7992.37, 0.00298165/step Wall: 7992.37, 0.00298165/step, 1.92052 hours remaining, 206.136719 MB of memory in use. ENERGY: 2681200 742.3210 2078.8968 1934.0062 118.7865 -205956.0638 17721.1240 0.0000 0.0000 34515.2106 -148845.7187 301.4299 -183360.9293 -148744.0516 300.2489 -122.6271 -90.2022 558891.3467 5.2305 5.3751 PRESSURE: 2681400 -104.496 49.4297 -13.37 49.4297 186.041 75.6877 -13.371 75.6873 -144.458 GPRESSURE: 2681400 30.609 95.6726 42.3809 54.8377 185.613 194.363 -25.5877 0.348748 -171.562 PRESSAVG: 2681400 3.69358 -12.1335 16.9352 -12.1334 24.0098 6.65976 16.9351 6.65967 10.038 GPRESSAVG: 2681400 3.43627 -11.0772 18.6621 -11.1427 24.2738 8.62986 14.2984 3.9683 10.1751 TIMING: 2681400 CPU: 7992.97, 0.00299936/step Wall: 7992.97, 0.00299936/step, 1.93176 hours remaining, 206.136719 MB of memory in use. ENERGY: 2681400 743.5482 2099.9573 1927.6192 101.8174 -205633.4452 17716.3357 0.0000 0.0000 34190.1773 -148853.9901 298.5913 -183044.1674 -148758.7043 299.9995 -20.9711 14.8867 558299.2100 12.5805 12.6284 PRESSURE: 2681600 46.2719 47.3932 -6.6966 47.3929 -223.443 -181.97 -6.69688 -181.968 128.129 GPRESSURE: 2681600 65.7213 99.1633 -47.946 42.6753 -192.817 -241.447 -70.1803 -52.7602 164.529 PRESSAVG: 2681600 35.5656 0.0481203 -1.695 0.0482177 -6.57133 19.7814 -1.69507 19.7814 -10.5388 GPRESSAVG: 2681600 35.9107 -1.32313 -2.19317 2.27437 -6.54077 18.3731 0.00764717 21.6601 -11.1597 TIMING: 2681600 CPU: 7993.58, 0.00301804/step Wall: 7993.58, 0.00301804/step, 1.94362 hours remaining, 206.136719 MB of memory in use. ENERGY: 2681600 708.5945 2144.8695 1930.6170 105.9752 -205787.4468 17641.8355 0.0000 0.0000 34325.5214 -148930.0339 299.7733 -183255.5552 -148835.9845 299.8743 -16.3471 12.4779 557868.1764 6.1518 6.0701 PRESSURE: 2681800 18.6229 11.4146 -227.821 11.4164 -3.36231 -90.7572 -227.82 -90.759 90.231 GPRESSURE: 2681800 11.6424 -7.59253 -230.665 -0.392007 37.1698 -113.971 -187.325 -33.2059 162.512 PRESSAVG: 2681800 -19.449 -20.9891 -21.1204 -20.989 27.7447 -38.8041 -21.1204 -38.8042 -2.17681 GPRESSAVG: 2681800 -20.2302 -18.8884 -22.2133 -24.367 27.7296 -37.5975 -20.7604 -39.8662 -1.42349 TIMING: 2681800 CPU: 7994.18, 0.0030064/step Wall: 7994.18, 0.0030064/step, 1.93596 hours remaining, 206.136719 MB of memory in use. ENERGY: 2681800 725.8686 2099.1604 1935.5791 124.1955 -206384.3543 17947.6875 0.0000 0.0000 34379.1016 -149172.7616 300.2412 -183551.8632 -149082.2791 299.9234 35.1639 70.4415 556555.1183 2.0397 2.0253 PRESSURE: 2682000 199.079 162.828 204.695 162.829 121.715 -26.6415 204.694 -26.6412 152.129 GPRESSURE: 2682000 208.524 159.097 180.542 147.989 114.783 53.2117 175.041 -54.9909 235.822 PRESSAVG: 2682000 60.9213 36.9247 39.5113 36.9246 -104.364 -20.8256 39.5113 -20.8255 52.8924 GPRESSAVG: 2682000 60.7078 36.2696 39.1593 38.3639 -105.227 -22.4299 39.6328 -20.2792 53.717 TIMING: 2682000 CPU: 7994.77, 0.00298134/step Wall: 7994.77, 0.00298134/step, 1.91965 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: 2682000 709.9205 2105.6399 1961.2477 107.2835 -206340.2248 17891.2745 0.0000 0.0000 34384.1830 -149180.6758 300.2856 -183564.8587 -149080.7387 298.9966 157.6413 186.3764 556441.7185 3.1501 3.0658 PRESSURE: 2682200 -41.9603 13.7053 -58.3838 13.7063 9.08285 -154.711 -58.383 -154.713 -186.594 GPRESSURE: 2682200 -31.324 60.7715 -29.6034 -13.289 41.0759 -164.376 -58.4977 -95.5158 -148.472 PRESSAVG: 2682200 -30.6086 10.6936 11.7588 10.6935 27.9601 -6.01552 11.7587 -6.0155 32.7161 GPRESSAVG: 2682200 -31.3369 9.21796 13.2156 10.1043 28.3981 -5.45863 10.4537 -6.14851 32.679 TIMING: 2682200 CPU: 7995.37, 0.00298641/step Wall: 7995.37, 0.00298641/step, 1.92275 hours remaining, 206.136719 MB of memory in use. ENERGY: 2682200 745.9709 2125.2998 1929.5396 127.9686 -206289.4330 17779.1803 0.0000 0.0000 34335.5503 -149245.9234 299.8609 -183581.4737 -149152.0886 299.6352 -73.1572 -46.2399 557709.2869 10.0225 9.9134 PRESSURE: 2682400 -170.742 96.3633 219.006 96.3651 -172.315 51.6621 219.007 51.6637 -113.714 GPRESSURE: 2682400 -104.979 66.0311 249.515 104.066 -160.022 66.9137 228.045 -40.4723 -88.9397 PRESSAVG: 2682400 -43.3793 14.0979 8.2389 14.0979 46.191 25.721 8.23889 25.721 -5.8894 GPRESSAVG: 2682400 -42.2831 14.9652 8.55499 14.7412 45.3981 27.9948 9.24491 25.0603 -6.20379 TIMING: 2682400 CPU: 7995.97, 0.002984/step Wall: 7995.97, 0.002984/step, 1.92103 hours remaining, 206.136719 MB of memory in use. ENERGY: 2682400 765.2317 2075.8553 1941.2750 105.6656 -205749.6859 17401.9395 0.0000 0.0000 34330.6154 -149129.1034 299.8178 -183459.7187 -149035.6699 299.6200 -152.2571 -117.9803 557532.5405 -1.0259 -1.0296 PRESSURE: 2682600 -281.404 84.5713 153.342 84.5726 -123.668 -178.582 153.342 -178.582 12.327 GPRESSURE: 2682600 -254.365 78.0343 181.804 72.7909 -81.5353 -117.713 131.381 -160.972 29.7753 PRESSAVG: 2682600 -39.2795 43.6043 21.095 43.6043 81.2652 14.5189 21.095 14.519 -40.2914 GPRESSAVG: 2682600 -39.4308 44.0592 21.642 42.6982 82.2787 11.9971 19.1301 15.0915 -41.2206 TIMING: 2682600 CPU: 7996.57, 0.00298899/step Wall: 7996.57, 0.00298899/step, 1.92408 hours remaining, 206.136719 MB of memory in use. ENERGY: 2682600 735.2435 2051.0517 1941.3465 113.2453 -205683.6167 17449.9904 0.0000 0.0000 34311.3712 -149081.3681 299.6497 -183392.7393 -148975.7375 299.9157 -130.9151 -102.0417 557027.9566 0.5648 0.5424 PRESSURE: 2682800 -149.869 99.3291 -9.77661 99.3266 94.6772 -81.2962 -9.77608 -81.2966 -176.713 GPRESSURE: 2682800 -67.0122 108.048 -26.2989 115.288 75.6112 -36.1953 20.1907 -111.551 -129.576 PRESSAVG: 2682800 63.0035 51.0933 -17.3822 51.0933 -7.60943 -73.0309 -17.3823 -73.0309 -38.5727 GPRESSAVG: 2682800 64.2589 48.6336 -18.7591 54.0641 -8.62675 -73.0351 -15.9448 -73.9964 -38.7144 TIMING: 2682800 CPU: 7997.16, 0.00296962/step Wall: 7997.16, 0.00296962/step, 1.91144 hours remaining, 206.136719 MB of memory in use. ENERGY: 2682800 732.4542 2060.6747 1951.2314 107.7373 -205814.9607 17602.6570 0.0000 0.0000 34187.0161 -149173.1899 298.5637 -183360.2060 -149072.8091 298.8079 -77.3018 -40.3258 557108.8733 5.6071 5.6393 PRESSURE: 2683000 -113.004 30.6255 -81.8667 30.625 -20.7357 -17.2075 -81.8672 -17.2069 100.411 GPRESSURE: 2683000 -72.317 -19.5788 -165.646 62.9428 5.51022 -33.6569 -32.3388 44.3198 132.242 PRESSAVG: 2683000 3.28733 14.8293 30.9554 14.8292 15.3729 30.8911 30.9555 30.891 13.8498 GPRESSAVG: 2683000 2.32211 16.4661 29.6167 13.0059 15.4836 31.7478 30.1822 31.874 14.4555 TIMING: 2683000 CPU: 7997.76, 0.00297743/step Wall: 7997.76, 0.00297743/step, 1.9163 hours remaining, 206.136719 MB of memory in use. ENERGY: 2683000 764.9048 2067.5948 1927.7477 113.3428 -206128.0217 17657.2409 0.0000 0.0000 34153.6514 -149443.5394 298.2723 -183597.1908 -149350.2361 299.1892 -11.1096 21.8118 556534.2681 10.8367 10.7537 PRESSURE: 2683200 -178.192 -73.5813 174.022 -73.5803 97.4408 -76.4866 174.022 -76.4871 108.89 GPRESSURE: 2683200 -137.672 -82.3092 223.492 -38.0696 121.413 -80.6554 161.473 -3.23513 141.634 PRESSAVG: 2683200 -2.70688 1.05794 67.4223 1.05786 32.873 -12.1995 67.4223 -12.1996 2.3338 GPRESSAVG: 2683200 -2.79241 0.531914 67.9232 -0.205349 33.5904 -10.8436 68.0414 -12.4826 1.62604 TIMING: 2683200 CPU: 7998.35, 0.00298621/step Wall: 7998.35, 0.00298621/step, 1.92179 hours remaining, 206.136719 MB of memory in use. ENERGY: 2683200 756.3001 2112.1840 1900.2854 121.1229 -206234.3399 17743.9923 0.0000 0.0000 34201.1604 -149399.2949 298.6872 -183600.4553 -149298.7192 299.3686 9.3797 41.7918 557174.5279 10.8333 10.8080 PRESSURE: 2683400 17.6715 -57.895 -106.076 -57.8948 -180.264 85.8757 -106.077 85.8759 203.286 GPRESSURE: 2683400 31.6897 -87.6731 -92.0203 -131.574 -90.0747 74.4397 -188.472 72.5136 192.984 PRESSAVG: 2683400 -95.9851 -0.29288 -2.17371 -0.292795 -23.0477 18.5247 -2.17366 18.5247 79.3402 GPRESSAVG: 2683400 -95.4962 -0.924809 -2.20453 0.276554 -23.858 19.4528 -2.7572 18.2852 79.8626 TIMING: 2683400 CPU: 7998.96, 0.00301662/step Wall: 7998.96, 0.00301662/step, 1.9412 hours remaining, 206.136719 MB of memory in use. ENERGY: 2683400 745.4521 2100.8335 1944.9257 114.6119 -205957.2207 17618.4610 0.0000 0.0000 34215.9140 -149217.0226 298.8161 -183432.9366 -149121.5819 298.7397 13.5644 44.8665 557178.0956 -13.2309 -13.1638 PRESSURE: 2683600 -77.2156 -156.9 -92.3051 -156.899 205.876 -35.4516 -92.3041 -35.4499 -73.2975 GPRESSURE: 2683600 -78.7539 -125.851 -135.364 -91.511 207.086 -80.9348 -51.4582 43.2075 30.7242 PRESSAVG: 2683600 13.4106 -18.002 -30.7997 -18.002 3.9588 -2.94586 -30.7996 -2.94591 20.6752 GPRESSAVG: 2683600 13.9209 -16.4837 -29.2795 -18.2781 4.0274 -4.53711 -31.189 -3.1942 20.427 TIMING: 2683600 CPU: 7999.55, 0.00299352/step Wall: 7999.55, 0.00299352/step, 1.92617 hours remaining, 206.136719 MB of memory in use. ENERGY: 2683600 751.6424 2067.2287 1934.3965 114.7350 -206096.6849 17754.1632 0.0000 0.0000 34288.2521 -149186.2670 299.4478 -183474.5190 -149094.4550 299.3574 18.4542 53.0187 557976.2955 12.6815 12.7918 PRESSURE: 2683800 -238.414 97.3876 85.4489 97.3872 198.609 -38.9766 85.4499 -38.9757 -177.805 GPRESSURE: 2683800 -231.861 83.1318 48.6064 77.6495 234.978 8.53999 -7.60574 -6.58025 -144.434 PRESSAVG: 2683800 -41.3105 16.5472 -25.5512 16.5472 40.7891 -19.5778 -25.5513 -19.5778 35.4791 GPRESSAVG: 2683800 -40.8577 17.2989 -25.7142 16.1369 40.9085 -20.0037 -25.6214 -18.5194 34.3425 TIMING: 2683800 CPU: 8000.15, 0.00298596/step Wall: 8000.15, 0.00298596/step, 1.92114 hours remaining, 206.136719 MB of memory in use. ENERGY: 2683800 758.7373 2105.3517 1937.2619 101.8498 -205932.0732 17584.9423 0.0000 0.0000 34185.6618 -149258.2684 298.5519 -183443.9302 -149166.1003 298.9926 -72.5365 -47.1057 557243.0625 11.6526 11.4644 PRESSURE: 2684000 94.5142 111.586 -40.0934 111.586 -218.385 -81.204 -40.0931 -81.2032 195.339 GPRESSURE: 2684000 192.966 72.2364 73.6337 95.0004 -211.044 8.76281 -90.0546 -117.359 173.896 PRESSAVG: 2684000 -28.7767 -48.7308 34.3813 -48.7308 104.674 -1.87926 34.3812 -1.87925 -76.0178 GPRESSAVG: 2684000 -29.6429 -49.5227 33.6296 -48.4664 105.063 -2.58376 34.3991 -1.17839 -75.7507 TIMING: 2684000 CPU: 8000.75, 0.00297305/step Wall: 8000.75, 0.00297305/step, 1.91266 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: 2684000 722.6380 2109.7834 1964.5701 120.9436 -206058.6426 17691.4077 0.0000 0.0000 34215.0752 -149234.2245 298.8088 -183449.2997 -149137.8577 299.2633 23.8228 51.9394 557355.3064 -0.0401 -0.1101 PRESSURE: 2684200 -47.7512 -12.7465 -88.7674 -12.7473 -62.4109 -224.459 -88.7676 -224.458 -35.6618 GPRESSURE: 2684200 -37.6195 8.25266 -54.6418 52.6732 14.5745 -232.836 -125.826 -223.251 -28.2469 PRESSAVG: 2684200 34.0368 -35.4406 42.701 -35.4406 -13.8829 -11.4835 42.7009 -11.4834 -42.6133 GPRESSAVG: 2684200 34.2693 -34.4442 44.598 -36.4289 -14.7938 -11.2524 41.5066 -13.142 -42.0327 TIMING: 2684200 CPU: 8001.34, 0.00298845/step Wall: 8001.34, 0.00298845/step, 1.9224 hours remaining, 206.136719 MB of memory in use. ENERGY: 2684200 754.8488 2148.8223 1940.5718 119.5166 -206080.9649 17682.5166 0.0000 0.0000 34307.8212 -149126.8677 299.6187 -183434.6890 -149034.0111 298.9027 -48.6080 -17.0973 558505.1767 -7.4865 -7.5190 LDB: ============= START OF LOAD BALANCING ============== 8004.78 LDB: ============== END OF LOAD BALANCING =============== 8004.78 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8004.78 LDB: ============= START OF LOAD BALANCING ============== 8005.08 LDB: Largest compute 4821 load 0.030047 is 25.5% of average load 0.118057 LDB: Average compute 0.001735 is 1.5% of average load 0.118057 LDB: TIME 8005.08 LOAD: AVG 0.118057 MAX 0.206016 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 8005.08 LOAD: AVG 0.118057 MAX 0.206016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: TIME 8005.08 LOAD: AVG 0.118057 MAX 0.206016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8005.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8005.09 PRESSURE: 2684400 -64.4574 190.627 -0.677782 190.628 -181.607 -176.573 -0.678377 -176.572 -263.39 GPRESSURE: 2684400 -80.5044 157.132 49.1173 153.703 -147.419 -205.115 -84.8878 -187.959 -181.549 PRESSAVG: 2684400 32.7566 -14.4117 14.6204 -14.4116 -70.0648 -51.6785 14.6204 -51.6785 37.7755 GPRESSAVG: 2684400 32.1485 -13.8546 12.1451 -14.1435 -69.7035 -51.9033 16.2379 -50.7054 38.7847 TIMING: 2684400 CPU: 8001.96, 0.00305748/step Wall: 8001.96, 0.00305748/step, 1.96664 hours remaining, 205.941406 MB of memory in use. ENERGY: 2684400 729.3384 2085.0388 1922.7342 112.4413 -205998.8076 17435.5347 0.0000 0.0000 34540.4626 -149173.2575 301.6505 -183713.7201 -149081.8544 300.1405 -169.8179 -136.4906 557324.7448 0.1557 0.4099 PRESSURE: 2684600 -83.7826 -58.8939 -42.5958 -58.8924 -165.889 -201.107 -42.5975 -201.106 -186.692 GPRESSURE: 2684600 -49.6313 47.8946 -37.381 -111.487 -136.834 -182.442 -69.5972 -222.68 -143.094 PRESSAVG: 2684600 -71.0342 28.0161 -24.1761 28.0161 49.2394 -40.7083 -24.176 -40.7082 28.8467 GPRESSAVG: 2684600 -70.2766 27.3996 -24.6045 28.753 50.3312 -40.3557 -23.5641 -42.9575 27.4022 TIMING: 2684600 CPU: 8002.56, 0.00301103/step Wall: 8002.56, 0.00301103/step, 1.93659 hours remaining, 205.941406 MB of memory in use. ENERGY: 2684600 736.6415 2130.0363 1925.8838 115.9097 -205969.8883 17598.8488 0.0000 0.0000 34321.4872 -149141.0811 299.7381 -183462.5682 -149043.1457 299.0347 -145.4547 -109.8529 557185.9505 2.3506 2.4856 PRESSURE: 2684800 9.22215 71.3353 -106.321 71.3348 -106.825 32.7808 -106.319 32.7804 79.9312 GPRESSURE: 2684800 18.5997 31.1464 -159.324 34.6441 -33.9056 81.3664 -50.6928 64.2142 87.7821 PRESSAVG: 2684800 12.9422 -55.0403 47.371 -55.0403 -21.9038 -13.5293 47.3711 -13.5293 42.3279 GPRESSAVG: 2684800 13.7425 -56.4616 46.125 -55.6599 -22.4233 -14.802 48.5847 -10.9783 42.1037 TIMING: 2684800 CPU: 8003.16, 0.00301738/step Wall: 8003.16, 0.00301738/step, 1.94051 hours remaining, 205.941406 MB of memory in use. ENERGY: 2684800 720.8772 2042.9240 1934.5877 109.3504 -206044.1260 17721.1256 0.0000 0.0000 34317.4076 -149197.8534 299.7025 -183515.2610 -149098.7905 298.8380 -5.8905 24.1588 557605.6397 11.1221 11.1410 PRESSURE: 2685000 327.463 -186.151 20.9959 -186.15 -51.7184 41.8596 20.9972 41.8592 -58.2863 GPRESSURE: 2685000 325.311 -169.682 46.3604 -151.756 -4.54345 -38.6865 111.631 5.11621 -4.27074 PRESSAVG: 2685000 23.7258 5.66456 -43.3163 5.66465 -64.9873 -46.4327 -43.3162 -46.4326 13.4759 GPRESSAVG: 2685000 22.4875 7.43818 -41.2608 5.50085 -64.3444 -46.819 -43.4325 -47.8255 14.1477 TIMING: 2685000 CPU: 8003.77, 0.00303091/step Wall: 8003.77, 0.00303091/step, 1.94904 hours remaining, 205.941406 MB of memory in use. ENERGY: 2685000 766.6505 2096.1894 1923.2801 104.8988 -206552.9860 18145.6171 0.0000 0.0000 34214.1680 -149302.1822 298.8008 -183516.3502 -149204.1084 298.9219 72.4862 105.4990 556440.8430 -9.2619 -9.2364 PRESSURE: 2685200 73.3966 -86.6334 82.6411 -86.6315 -299.611 1.1163 82.6401 1.11815 -227.283 GPRESSURE: 2685200 62.1055 -115.907 76.1511 -94.747 -261.762 -13.2042 52.9558 17.9194 -166.766 PRESSAVG: 2685200 23.6969 6.13364 16.9373 6.13355 -11.0055 32.3328 16.9373 32.3328 16.7534 GPRESSAVG: 2685200 23.2357 5.89617 17.8657 6.35262 -11.1946 32.6518 14.917 34.5976 17.3534 TIMING: 2685200 CPU: 8004.37, 0.00300924/step Wall: 8004.37, 0.00300924/step, 1.93494 hours remaining, 205.941406 MB of memory in use. ENERGY: 2685200 777.9679 2041.5172 1942.6897 124.6103 -206090.6181 17709.6778 0.0000 0.0000 34203.8719 -149290.2832 298.7109 -183494.1551 -149188.3259 298.6688 -151.1657 -122.1409 556844.7403 9.8149 9.7981 PRESSURE: 2685400 6.12494 61.9292 -117.548 61.9284 151.154 -102.433 -117.548 -102.433 137.947 GPRESSURE: 2685400 26.2764 75.5004 -110.102 96.5322 264.051 -141.201 -127.424 -65.1341 102.33 PRESSAVG: 2685400 39.3644 19.1885 -0.913407 19.1885 16.9966 -43.8384 -0.913555 -43.8385 -35.2255 GPRESSAVG: 2685400 40.2888 17.0095 0.00644577 21.5464 16.3947 -42.6459 1.10552 -45.7242 -35.3643 TIMING: 2685400 CPU: 8004.97, 0.00299277/step Wall: 8004.97, 0.00299277/step, 1.92418 hours remaining, 205.941406 MB of memory in use. ENERGY: 2685400 717.6119 2093.5558 1937.3045 120.5287 -206224.8253 17812.5172 0.0000 0.0000 34266.0409 -149277.2664 299.2539 -183543.3073 -149187.4708 298.7517 98.4085 130.8856 558256.3736 7.0452 7.1064 PRESSURE: 2685600 9.47763 -41.5667 -148.027 -41.5683 208.804 -79.4073 -148.027 -79.4068 -99.917 GPRESSURE: 2685600 22.7854 -114.809 -76.8276 -19.2276 207.546 -107.441 -75.7543 -69.7818 -15.648 PRESSAVG: 2685600 48.0525 25.0217 -24.4975 25.0217 55.8669 -34.397 -24.4975 -34.3969 -77.2145 GPRESSAVG: 2685600 48.1626 27.7644 -26.4589 21.6756 55.8198 -36.1065 -25.0648 -34.844 -77.3222 TIMING: 2685600 CPU: 8005.57, 0.0030164/step Wall: 8005.57, 0.0030164/step, 1.93921 hours remaining, 205.941406 MB of memory in use. ENERGY: 2685600 732.3621 2082.5189 1959.7975 112.6639 -206409.0675 17905.8136 0.0000 0.0000 34219.3894 -149396.5221 298.8464 -183615.9114 -149302.2221 299.1564 39.4548 71.5612 558206.8234 8.9016 8.8867 PRESSURE: 2685800 -154.239 140.13 -34.4327 140.13 57.9064 20.5839 -34.4333 20.5825 -475.945 GPRESSURE: 2685800 -114.388 98.359 -7.50666 55.1481 50.4266 41.254 -59.8248 -34.2558 -415.045 PRESSAVG: 2685800 21.5429 58.2716 -23.1134 58.2716 -25.976 -48.2666 -23.1135 -48.2667 18.1579 GPRESSAVG: 2685800 20.8049 55.9239 -24.5008 58.6754 -26.2572 -47.6695 -23.0283 -47.5186 18.2527 TIMING: 2685800 CPU: 8006.17, 0.00299455/step Wall: 8006.17, 0.00299456/step, 1.925 hours remaining, 205.941406 MB of memory in use. ENERGY: 2685800 746.9436 2123.0503 1955.5557 112.7236 -205981.7560 17593.9776 0.0000 0.0000 34159.9620 -149289.5432 298.3274 -183449.5053 -149198.6464 299.5439 -190.7592 -159.6686 558095.5751 4.5750 4.2668 PRESSURE: 2686000 104.564 70.1921 -162.546 70.1916 25.756 34.1555 -162.546 34.1557 147.753 GPRESSURE: 2686000 80.6177 150.906 -147.727 86.5278 36.8275 107.086 -134.469 1.54716 255.959 PRESSAVG: 2686000 -3.76279 -42.2986 -68.5516 -42.2985 20.0218 -16.5746 -68.5516 -16.5744 1.48987 GPRESSAVG: 2686000 -3.16427 -42.2344 -65.7744 -40.7859 19.7073 -14.5241 -69.8596 -16.8525 1.73747 TIMING: 2686000 CPU: 8006.77, 0.00299258/step Wall: 8006.77, 0.00299258/step, 1.92357 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: 2686000 743.7671 2135.1942 1969.9838 115.5904 -206533.4597 17974.2509 0.0000 0.0000 34354.9164 -149239.7568 300.0300 -183594.6731 -149141.7128 299.0318 92.6911 124.4681 557187.2204 5.9163 6.0935 PRESSURE: 2686200 40.3531 -26.5654 81.5578 -26.5656 182.098 6.75226 81.5566 6.75266 49.8729 GPRESSURE: 2686200 102.049 -25.4898 128.132 -90.9315 244.525 56.976 94.396 -23.4243 22.0239 PRESSAVG: 2686200 -46.9965 -38.2346 -21.9399 -38.2346 26.5231 -14.4286 -21.94 -14.4286 18.856 GPRESSAVG: 2686200 -47.4933 -38.1072 -23.1879 -39.9734 26.157 -15.1398 -21.5338 -13.7954 19.7511 TIMING: 2686200 CPU: 8007.37, 0.00300856/step Wall: 8007.37, 0.00300856/step, 1.93367 hours remaining, 205.941406 MB of memory in use. ENERGY: 2686200 752.4555 2196.7320 1954.8934 103.0149 -206127.4164 17930.2380 0.0000 0.0000 34195.3319 -148994.7507 298.6363 -183190.0827 -148899.8767 299.4861 90.7746 122.8657 557250.1652 -0.5391 -0.5284 PRESSURE: 2686400 -168.651 -92.3035 57.5395 -92.3047 115.697 56.1336 57.5402 56.132 46.4215 GPRESSURE: 2686400 -189.381 -112.722 -27.2514 -138.515 146.519 50.4725 164.209 126.731 141.023 PRESSAVG: 2686400 19.5788 -3.28279 -21.0907 -3.28286 22.7957 -2.59914 -21.0906 -2.59918 26.8822 GPRESSAVG: 2686400 20.1379 -2.62762 -23.181 -2.36305 23.8898 -3.50197 -20.7528 -3.91826 25.3845 TIMING: 2686400 CPU: 8007.97, 0.0030119/step Wall: 8007.97, 0.0030119/step, 1.93564 hours remaining, 205.941406 MB of memory in use. ENERGY: 2686400 742.4166 2110.2266 1958.4738 126.0851 -206414.7063 17957.4568 0.0000 0.0000 34589.3836 -148930.6638 302.0777 -183520.0474 -148831.7202 300.4256 -2.1772 32.7206 556996.0611 23.0856 23.1374 PRESSURE: 2686600 -47.4997 -58.5259 -21.1572 -58.5258 174.842 2.01799 -21.1574 2.01781 -51.9817 GPRESSURE: 2686600 -56.983 -16.8454 -98.111 -150.716 215.679 45.0549 15.8003 -12.6029 9.67732 PRESSAVG: 2686600 -1.8635 19.5578 -19.7122 19.5577 21.9453 6.04012 -19.7121 6.04014 -0.426808 GPRESSAVG: 2686600 -2.59866 18.3915 -18.5574 20.1669 21.2917 6.47773 -18.6642 6.0326 0.780627 TIMING: 2686600 CPU: 8008.57, 0.00297542/step Wall: 8008.57, 0.00297542/step, 1.91204 hours remaining, 205.941406 MB of memory in use. ENERGY: 2686600 726.2641 2129.8163 1945.4949 106.4632 -206089.9868 17869.9255 0.0000 0.0000 34402.2200 -148909.8027 300.4431 -183312.0228 -148809.4436 300.4869 25.1202 56.1245 558636.6749 6.5517 6.4912 PRESSURE: 2686800 -90.8137 9.89301 -188.804 9.89259 302.042 -33.5476 -188.803 -33.5462 106.161 GPRESSURE: 2686800 -44.458 99.129 -219.781 -86.8915 304.381 1.70102 -114.803 -34.4308 153.39 PRESSAVG: 2686800 30.7081 -5.3878 -0.512191 -5.38777 14.8244 20.9138 -0.512232 20.914 -56.6346 GPRESSAVG: 2686800 30.8606 -2.5865 0.596767 -4.39 15.3232 21.1313 -0.430521 21.7435 -56.9095 TIMING: 2686800 CPU: 8009.16, 0.00298351/step Wall: 8009.16, 0.00298351/step, 1.91707 hours remaining, 205.941406 MB of memory in use. ENERGY: 2686800 737.9898 2115.5911 1936.7861 122.7394 -206221.0170 18131.4722 0.0000 0.0000 34309.1713 -148867.2671 299.6305 -183176.4384 -148772.5410 300.1378 105.7963 137.7711 557986.1932 -3.7007 -3.5753 PRESSURE: 2687000 -119.869 170.416 266.073 170.416 -342.7 173.361 266.073 173.36 -44.735 GPRESSURE: 2687000 -79.6705 54.9734 286.811 237.223 -278.159 151.417 317.837 282.348 -44.6408 PRESSAVG: 2687000 23.3335 9.50144 27.254 9.50148 -18.3465 -9.9801 27.254 -9.98011 38.9936 GPRESSAVG: 2687000 22.9956 6.48195 27.9477 8.29606 -17.4428 -11.5575 23.8507 -10.458 38.4234 TIMING: 2687000 CPU: 8009.77, 0.00300891/step Wall: 8009.77, 0.00300891/step, 1.93322 hours remaining, 205.941406 MB of memory in use. ENERGY: 2687000 789.0245 2088.1413 1958.6288 117.9026 -205573.2119 17422.8322 0.0000 0.0000 34320.3286 -148876.3539 299.7280 -183196.6825 -148777.4429 300.2176 -169.1014 -134.1567 557687.9116 14.6602 14.6587 PRESSURE: 2687200 -354.456 -44.108 26.3893 -44.1063 -245.257 22.6243 26.3889 22.6244 -289.75 GPRESSURE: 2687200 -345.736 -6.87398 12.1806 -63.9934 -235.912 73.9217 61.1741 -37.0903 -192.348 PRESSAVG: 2687200 -29.9286 -11.8106 45.1441 -11.8106 26.4018 31.3784 45.1441 31.3783 -30.7533 GPRESSAVG: 2687200 -29.7291 -10.0443 45.3246 -13.2936 26.411 32.546 44.9055 29.6153 -31.173 TIMING: 2687200 CPU: 8010.37, 0.00301967/step Wall: 8010.37, 0.00301967/step, 1.93997 hours remaining, 205.941406 MB of memory in use. ENERGY: 2687200 783.8143 2092.2405 1928.4713 110.5505 -205532.4727 17316.5156 0.0000 0.0000 34316.8991 -148983.9814 299.6980 -183300.8805 -148884.0961 300.0129 -296.4875 -257.9986 557769.6229 -11.4267 -11.4970 PRESSURE: 2687400 82.6618 46.9359 39.6387 46.9356 191.929 67.141 39.6392 67.1405 63.4817 GPRESSURE: 2687400 148.137 49.5827 49.7533 26.2675 205.225 83.3374 41.7813 83.8143 73.5748 PRESSAVG: 2687400 9.79996 67.6336 45.7771 67.6336 -17.1329 19.9956 45.7771 19.9955 0.417563 GPRESSAVG: 2687400 10.5717 67.2153 46.1757 68.639 -17.8895 19.8284 47.4772 22.0494 -0.477385 TIMING: 2687400 CPU: 8010.97, 0.00301531/step Wall: 8010.97, 0.00301531/step, 1.937 hours remaining, 205.941406 MB of memory in use. ENERGY: 2687400 725.8406 2111.9619 1961.3166 111.8607 -206284.7400 17994.1291 0.0000 0.0000 34330.5325 -149049.0985 299.8171 -183379.6310 -148956.3769 299.6092 112.6907 142.3122 557516.0310 -2.3051 -2.5984 PRESSURE: 2687600 79.6625 -219.617 39.7994 -219.616 -7.13388 219.938 39.8006 219.939 181.954 GPRESSURE: 2687600 124.566 -159.642 61.8743 -177.575 33.6923 151.197 13.4604 228.189 186.525 PRESSAVG: 2687600 -0.89767 -2.71462 87.8797 -2.71459 -74.1961 40.2949 87.8798 40.2948 55.755 GPRESSAVG: 2687600 -1.95388 -3.28293 86.2021 -1.2914 -73.6502 39.3105 87.1429 40.031 57.1378 TIMING: 2687600 CPU: 8011.58, 0.00301493/step Wall: 8011.58, 0.00301493/step, 1.93659 hours remaining, 205.941406 MB of memory in use. ENERGY: 2687600 716.7643 2044.3047 1933.3223 101.0199 -205882.3463 17755.6934 0.0000 0.0000 34253.0964 -149078.1454 299.1408 -183331.2417 -148981.2678 299.4660 84.8275 114.9279 557462.9842 -6.4463 -6.1554 PRESSURE: 2687800 -66.0622 -145.494 55.2757 -145.493 -62.7153 18.1732 55.276 18.1729 300.629 GPRESSURE: 2687800 -46.5161 -138.275 70.6992 -140.706 33.5271 65.7845 -9.18546 21.5102 274.521 PRESSAVG: 2687800 -53.4818 -16.3256 52.2711 -16.3256 -53.3303 -19.544 52.271 -19.5439 64.99 GPRESSAVG: 2687800 -54.9178 -15.9472 52.4229 -18.0872 -52.5068 -18.5958 54.1874 -20.2199 65.0502 TIMING: 2687800 CPU: 8012.18, 0.00301355/step Wall: 8012.18, 0.00301355/step, 1.93554 hours remaining, 205.941406 MB of memory in use. ENERGY: 2687800 734.9097 2107.0343 1955.8723 114.3866 -206187.3631 17829.3663 0.0000 0.0000 34292.2875 -149153.5064 299.4831 -183445.7939 -149054.9365 299.3594 57.2839 87.1772 557853.3732 -13.9407 -14.1248 PRESSURE: 2688000 -121.656 -50.8896 97.8922 -50.8902 -274.107 -80.1305 97.8924 -80.1303 20.3137 GPRESSURE: 2688000 -95.5834 -16.2408 173.431 -72.0434 -262.902 -39.0667 52.3594 -128.655 82.877 PRESSAVG: 2688000 8.29355 -74.4675 54.1362 -74.4675 -44.9092 24.8245 54.1362 24.8246 27.0546 GPRESSAVG: 2688000 9.43385 -75.1542 54.8145 -74.6558 -45.4133 24.3323 51.9245 25.9136 27.0114 TIMING: 2688000 CPU: 8012.78, 0.00299958/step Wall: 8012.78, 0.00299958/step, 1.92639 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: 2688000 744.6320 2098.0695 1949.1936 124.2554 -206024.3606 17621.5216 0.0000 0.0000 34377.5676 -149109.1209 300.2278 -183486.6885 -149006.5547 299.3660 -125.1498 -91.8694 559003.2912 -3.1870 -2.9893 PRESSURE: 2688200 1.84613 5.79594 146.001 5.79675 -154.692 -126.58 146.001 -126.58 -290.187 GPRESSURE: 2688200 68.6663 -12.3032 132.832 -56.2639 -179.847 -166.218 183.953 -90.1357 -227.865 PRESSAVG: 2688200 8.586 -22.7516 66.8141 -22.7516 -53.735 -32.2746 66.814 -32.2747 65.5638 GPRESSAVG: 2688200 9.38475 -22.657 67.0586 -21.7722 -55.2244 -31.3958 67.0534 -33.5691 65.6519 TIMING: 2688200 CPU: 8013.38, 0.00298991/step Wall: 8013.38, 0.00298991/step, 1.92002 hours remaining, 205.941406 MB of memory in use. ENERGY: 2688200 716.0209 2088.3859 1992.1487 131.9763 -205769.1038 17482.0421 0.0000 0.0000 34239.5545 -149118.9753 299.0225 -183358.5299 -149018.1765 299.7247 -147.6778 -113.0153 557482.1653 6.8049 6.6041 LDB: ============= START OF LOAD BALANCING ============== 8016.81 LDB: ============== END OF LOAD BALANCING =============== 8016.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8016.81 LDB: ============= START OF LOAD BALANCING ============== 8017.11 LDB: Largest compute 4821 load 0.030810 is 26.1% of average load 0.118051 LDB: Average compute 0.001731 is 1.5% of average load 0.118051 LDB: TIME 8017.11 LOAD: AVG 0.118051 MAX 0.203031 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 8017.11 LOAD: AVG 0.118051 MAX 0.203031 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.746 MB LDB: TIME 8017.11 LOAD: AVG 0.118051 MAX 0.203031 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8017.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8017.11 PRESSURE: 2688400 -2.4117 66.0721 58.4022 66.0717 -109.264 -154.58 58.4011 -154.581 -44.7676 GPRESSURE: 2688400 68.491 13.157 25.0187 158.328 -106.981 -52.4715 19.4964 -174.354 -21.1122 PRESSAVG: 2688400 32.1777 -30.078 -32.2971 -30.078 -67.0337 -7.49843 -32.297 -7.49843 50.5331 GPRESSAVG: 2688400 31.2889 -29.5046 -30.876 -29.8608 -66.8857 -7.74055 -33.2961 -7.05015 50.7838 TIMING: 2688400 CPU: 8013.99, 0.00304023/step Wall: 8013.99, 0.00304023/step, 1.95216 hours remaining, 206.304688 MB of memory in use. ENERGY: 2688400 748.4319 2092.3722 1959.0857 111.7621 -205596.7578 17542.7188 0.0000 0.0000 34158.1446 -148984.2425 298.3116 -183142.3870 -148891.5085 299.3904 -52.1478 -19.8675 558284.9614 5.2257 5.0623 PRESSURE: 2688600 -100.355 69.5894 119.569 69.5885 -188.13 174.585 119.568 174.584 -144.558 GPRESSURE: 2688600 -105.921 -72.9317 84.9671 229.581 -148.178 111.135 106.694 148.852 -92.629 PRESSAVG: 2688600 -62.4391 -42.624 32.6652 -42.624 -89.1782 3.32017 32.6651 3.32013 115.655 GPRESSAVG: 2688600 -62.9965 -43.2528 30.2104 -43.0591 -88.8061 1.4734 34.2488 2.63174 115.525 TIMING: 2688600 CPU: 8014.58, 0.0029851/step Wall: 8014.58, 0.0029851/step, 1.9166 hours remaining, 206.562500 MB of memory in use. ENERGY: 2688600 754.0054 2057.9709 1923.5794 105.8012 -206003.8211 17735.1058 0.0000 0.0000 34324.1965 -149103.1619 299.7617 -183427.3584 -149005.3288 299.2836 -144.3477 -115.5761 558271.4429 -11.9876 -12.0925 PRESSURE: 2688800 47.2319 34.7314 11.6791 34.7312 -5.29956 153.029 11.6781 153.029 54.3188 GPRESSURE: 2688800 115.011 -8.69394 94.8428 -8.54996 5.43431 83.2651 -37.4984 103.382 69.863 PRESSAVG: 2688800 -4.43738 -39.8358 57.0089 -39.8357 -38.0742 2.12383 57.0089 2.1239 26.8562 GPRESSAVG: 2688800 -3.86331 -39.5746 56.7273 -39.3842 -38.3941 2.99417 55.204 2.87314 26.4561 TIMING: 2688800 CPU: 8015.18, 0.00297541/step Wall: 8015.18, 0.00297541/step, 1.91021 hours remaining, 206.562500 MB of memory in use. ENERGY: 2688800 724.9867 2057.2945 1939.4057 129.0210 -206360.9041 17881.0349 0.0000 0.0000 34380.4730 -149248.6881 300.2532 -183629.1611 -149148.4245 298.7579 32.0837 63.4361 557656.4759 -5.2185 -5.2671 PRESSURE: 2689000 65.7389 -218.328 -91.5488 -218.327 110.517 -136.515 -91.5487 -136.513 -22.6175 GPRESSURE: 2689000 23.5118 -221.838 -123.812 -224.837 163.226 -184.684 -100.333 -60.0569 61.4179 PRESSAVG: 2689000 9.4722 -27.54 52.97 -27.54 -86.019 24.192 52.97 24.192 63.1982 GPRESSAVG: 2689000 8.97736 -28.2613 54.9647 -28.2015 -85.7853 23.3196 53.7007 24.7163 63.5346 TIMING: 2689000 CPU: 8015.78, 0.00299014/step Wall: 8015.78, 0.00299014/step, 1.9195 hours remaining, 206.562500 MB of memory in use. ENERGY: 2689000 757.9422 2094.9125 1930.6067 114.0427 -206111.6060 17783.7853 0.0000 0.0000 34126.6334 -149303.6832 298.0364 -183430.3165 -149206.6863 298.9182 51.2127 82.7187 557142.5496 -4.4495 -4.4244 PRESSURE: 2689200 -321.293 -11.8609 33.2712 -11.8619 -125.343 -54.5038 33.2709 -54.5032 -28.8254 GPRESSURE: 2689200 -261.189 9.7484 110.175 34.0341 -108.031 -76.9671 52.1153 15.1613 5.35343 PRESSAVG: 2689200 -10.8548 2.32147 45.7723 2.32144 -3.43539 -15.8295 45.7723 -15.8294 29.303 GPRESSAVG: 2689200 -11.3811 3.5007 45.9174 4.84953 -2.21763 -13.8317 45.2654 -17.2591 28.9304 TIMING: 2689200 CPU: 8016.37, 0.00299283/step Wall: 8016.37, 0.00299283/step, 1.92106 hours remaining, 206.859375 MB of memory in use. ENERGY: 2689200 745.1862 2074.8361 1944.6897 116.5272 -205574.8914 17593.0601 0.0000 0.0000 34103.6530 -148996.9390 297.8357 -183100.5920 -148903.0620 299.1232 -158.4870 -121.2891 558034.2578 5.0043 5.1105 PRESSURE: 2689400 -5.23704 2.44391 16.5881 2.44297 270.741 -64.3384 16.5875 -64.3391 -50.83 GPRESSURE: 2689400 87.265 -77.3104 -80.0248 -0.56983 246.043 -142.441 106.826 -45.18 -34.6667 PRESSAVG: 2689400 5.40183 -29.3326 38.2147 -29.3326 21.0661 -0.229664 38.2147 -0.229698 -18.5594 GPRESSAVG: 2689400 6.71654 -30.9605 38.8842 -28.7857 20.3939 0.923737 39.281 -1.02895 -18.509 TIMING: 2689400 CPU: 8016.97, 0.00297863/step Wall: 8016.97, 0.00297863/step, 1.91178 hours remaining, 206.859375 MB of memory in use. ENERGY: 2689400 773.0093 2018.7822 1930.7209 98.4346 -205882.3743 17986.1667 0.0000 0.0000 34148.8358 -148926.4247 298.2303 -183075.2606 -148833.7486 300.2753 71.5581 99.5472 558370.8721 2.6362 2.8671 PRESSURE: 2689600 187.764 -40.0271 17.5033 -40.0257 116.027 30.2838 17.5045 30.2832 -179.037 GPRESSURE: 2689600 214.084 26.7958 18.124 -138.971 120.582 8.47845 2.29217 10.378 -113.039 PRESSAVG: 2689600 -16.2574 -12.4989 -43.1906 -12.4988 49.1077 18.2963 -43.1905 18.2961 -8.27436 GPRESSAVG: 2689600 -17.697 -10.5571 -43.2935 -14.399 50.1051 15.2793 -42.7372 18.7558 -7.99159 TIMING: 2689600 CPU: 8017.56, 0.00296802/step Wall: 8017.56, 0.00296802/step, 1.90481 hours remaining, 206.859375 MB of memory in use. ENERGY: 2689600 748.0143 2115.0341 1944.4067 109.9164 -205879.9403 17885.3247 0.0000 0.0000 34310.9869 -148766.2574 299.6464 -183077.2443 -148665.8423 299.5867 41.5845 73.8756 558885.7339 8.1920 8.1389 PRESSURE: 2689800 226.898 -82.1498 54.2918 -82.1498 89.6041 -41.5864 54.2932 -41.5869 -0.915737 GPRESSURE: 2689800 240.404 -42.955 184.781 -73.1838 153.202 83.6705 17.6403 -75.623 18.1574 PRESSAVG: 2689800 -37.7456 14.322 26.8833 14.3219 63.5981 -11.3362 26.8833 -11.3362 -26.683 GPRESSAVG: 2689800 -36.6179 12.8071 27.2952 14.0092 62.3063 -9.39229 24.8705 -12.5994 -26.4548 TIMING: 2689800 CPU: 8018.16, 0.00296597/step Wall: 8018.16, 0.00296597/step, 1.90333 hours remaining, 206.859375 MB of memory in use. ENERGY: 2689800 764.5155 2081.6279 1950.6474 119.2622 -206455.0685 18157.8381 0.0000 0.0000 34619.5027 -148761.6747 302.3407 -183381.1774 -148668.2319 299.6836 105.1954 137.2544 557964.6305 -0.2768 -0.2555 PRESSURE: 2690000 -54.1435 30.7323 -15.0497 30.7318 -224.112 25.3335 -15.0498 25.333 109.067 GPRESSURE: 2690000 -53.0819 6.74475 18.5396 -19.5149 -130.589 52.1577 -56.3553 148.036 99.5055 PRESSAVG: 2690000 -14.5469 12.9391 79.9625 12.9391 19.4319 62.6991 79.9624 62.699 32.5163 GPRESSAVG: 2690000 -14.3831 12.6667 82.3005 13.3545 19.4626 61.4533 80.3077 63.5647 31.8835 TIMING: 2690000 CPU: 8018.75, 0.00297421/step Wall: 8018.75, 0.00297421/step, 1.90845 hours remaining, 206.859375 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: 2690000 736.0731 2082.7513 1971.6549 121.9109 -205955.3445 17696.3549 0.0000 0.0000 34415.3644 -148931.2351 300.5579 -183346.5995 -148830.6314 300.2220 -56.3962 -28.0551 558362.0719 12.4671 12.3210 PRESSURE: 2690200 92.3904 -130.913 180.716 -130.913 6.91479 -80.3844 180.715 -80.3857 -94.8364 GPRESSURE: 2690200 126.16 -144.771 113.562 -149.555 65.2239 -15.6706 188.885 -119.652 -82.9897 PRESSAVG: 2690200 -5.46075 -34.8249 -6.79758 -34.8248 -7.53888 72.5669 -6.79758 72.5669 -11.8182 GPRESSAVG: 2690200 -6.76333 -34.6435 -10.9123 -35.0241 -6.82002 71.4235 -5.44806 74.3466 -11.0275 TIMING: 2690200 CPU: 8019.35, 0.00297667/step Wall: 8019.35, 0.00297667/step, 1.90986 hours remaining, 206.859375 MB of memory in use. ENERGY: 2690200 734.2700 2072.6608 1962.4058 109.7800 -205989.4640 17912.4047 0.0000 0.0000 34322.0135 -148875.9292 299.7427 -183197.9426 -148779.6637 299.7252 1.4896 36.1314 559553.1623 -8.2726 -8.2036 PRESSURE: 2690400 -131.495 68.12 -30.7077 68.1198 3.02268 -95.2285 -30.7086 -95.2287 115.56 GPRESSURE: 2690400 -89.8026 110.096 65.7454 79.8424 43.6002 -117.03 -98.7265 -59.9603 139.244 PRESSAVG: 2690400 -62.4146 -5.3662 -8.67294 -5.3661 62.0571 -42.9992 -8.67291 -42.9992 20.9338 GPRESSAVG: 2690400 -62.2958 -4.80367 -9.42772 -6.14785 62.3731 -42.7539 -8.03077 -43.3347 20.098 TIMING: 2690400 CPU: 8019.94, 0.00297909/step Wall: 8019.94, 0.00297909/step, 1.91125 hours remaining, 206.859375 MB of memory in use. ENERGY: 2690400 745.8540 2012.8919 1940.2525 120.4382 -205774.8403 17781.3804 0.0000 0.0000 34182.4122 -148991.6112 298.5235 -183174.0233 -148889.3415 299.4860 -4.3040 31.0138 559513.1473 6.8588 6.7251 PRESSURE: 2690600 -69.6873 79.1193 -136.975 79.1202 2.19598 111.682 -136.976 111.683 -307.134 GPRESSURE: 2690600 -9.24762 88.4006 -39.177 104.014 61.8965 152.846 -217.844 143.178 -329.782 PRESSAVG: 2690600 -4.14774 -17.3056 34.0867 -17.3057 -1.30804 20.8013 34.0867 20.8012 -0.952951 GPRESSAVG: 2690600 -3.86908 -17.1081 37.9335 -18.2064 -2.10928 21.4515 31.7646 19.7047 -0.793476 TIMING: 2690600 CPU: 8020.54, 0.00297626/step Wall: 8020.54, 0.00297626/step, 1.90927 hours remaining, 206.871094 MB of memory in use. ENERGY: 2690600 762.9879 2014.0051 1963.1752 114.1881 -205918.9505 17739.6262 0.0000 0.0000 34270.4891 -149054.4788 299.2927 -183324.9679 -148956.7691 299.8381 -124.8750 -92.3777 558484.8321 -2.1362 -2.2573 PRESSURE: 2690800 -88.5174 -112.03 -52.7937 -112.031 204.805 64.0615 -52.7937 64.0613 30.5372 GPRESSURE: 2690800 -94.0991 -105.204 -86.0433 -103.347 273.51 63.1606 -55.2532 83.5131 56.5943 PRESSAVG: 2690800 47.0309 -46.1881 -18.0872 -46.1881 5.69609 61.6087 -18.0871 61.6086 -3.79193 GPRESSAVG: 2690800 46.8123 -45.2433 -20.1174 -44.1412 5.30644 61.9057 -18.36 61.7218 -3.48988 TIMING: 2690800 CPU: 8021.14, 0.00299228/step Wall: 8021.14, 0.00299228/step, 1.91938 hours remaining, 206.871094 MB of memory in use. ENERGY: 2690800 775.7333 2025.4719 1943.6098 120.0073 -206292.6821 17992.3923 0.0000 0.0000 34375.1470 -149060.3204 300.2067 -183435.4674 -148968.8892 299.1886 48.9416 78.6685 556929.4527 16.3117 16.2096 PRESSURE: 2691000 157.559 67.1936 183.262 67.1929 -43.969 2.57912 183.261 2.58142 60.5894 GPRESSURE: 2691000 213.596 88.3868 77.5116 102.504 14.4652 -9.51189 184.02 37.4079 31.3524 PRESSAVG: 2691000 61.5125 -32.0991 -14.1834 -32.0991 14.3625 10.55 -14.1834 10.5499 -48.3425 GPRESSAVG: 2691000 62.0247 -31.8077 -17.5858 -32.3051 14.9046 11.0766 -12.1735 13.0787 -49.1882 TIMING: 2691000 CPU: 8021.74, 0.00299501/step Wall: 8021.74, 0.00299501/step, 1.92096 hours remaining, 206.871094 MB of memory in use. ENERGY: 2691000 741.8203 2077.1084 1916.5387 106.4629 -206226.7998 17980.0326 0.0000 0.0000 34389.6546 -149015.1822 300.3334 -183404.8368 -148920.6885 299.3674 58.0598 86.4713 559405.0427 9.1775 9.2470 PRESSURE: 2691200 -73.832 -10.5769 39.3519 -10.5767 -239.474 2.35945 39.3529 2.3576 -236.163 GPRESSURE: 2691200 -49.0327 -7.63691 33.1382 -79.5241 -201.418 -39.2988 62.4289 -28.3164 -196.082 PRESSAVG: 2691200 61.1604 43.5383 18.9363 43.5383 -34.7089 17.2439 18.9364 17.2438 -7.74752 GPRESSAVG: 2691200 60.6517 42.8056 22.3836 43.0865 -34.3153 14.6243 18.9179 15.464 -7.42994 TIMING: 2691200 CPU: 8022.33, 0.00297813/step Wall: 8022.33, 0.00297813/step, 1.90997 hours remaining, 206.871094 MB of memory in use. ENERGY: 2691200 736.8713 2021.4152 1941.8654 107.3821 -205846.7298 17599.3776 0.0000 0.0000 34366.6299 -149073.1882 300.1323 -183439.8182 -148978.4058 299.4780 -183.1562 -148.8443 558956.6298 6.2347 6.3022 PRESSURE: 2691400 15.5269 117.056 -5.39345 117.057 -95.5759 56.4463 -5.39391 56.4468 65.1339 GPRESSURE: 2691400 -9.33014 69.3294 96.5668 127.625 14.0772 22.3544 -81.8861 14.0008 81.9637 PRESSAVG: 2691400 12.1772 31.7603 9.70111 31.7603 -18.9321 7.14766 9.70106 7.14756 -1.5386 GPRESSAVG: 2691400 11.3685 31.0768 9.64189 31.4656 -18.6001 8.94094 8.61017 6.76924 -0.634603 TIMING: 2691400 CPU: 8022.93, 0.0029846/step Wall: 8022.93, 0.0029846/step, 1.91396 hours remaining, 206.871094 MB of memory in use. ENERGY: 2691400 756.9001 2036.8932 1957.1943 100.5260 -206119.1728 17783.0783 0.0000 0.0000 34385.7900 -149098.7908 300.2997 -183484.5809 -149001.3600 300.0718 -4.9717 28.9036 557415.0848 -2.7645 -2.6221 PRESSURE: 2691600 -5.49432 123.135 57.399 123.136 103.105 -180.226 57.4005 -180.225 39.3281 GPRESSURE: 2691600 47.2558 164.705 98.208 47.7166 91.7162 -148.363 16.6754 -103.648 82.9261 PRESSAVG: 2691600 11.05 -11.8637 -29.5451 -11.8638 4.02695 -24.6935 -29.5451 -24.6936 -23.3224 GPRESSAVG: 2691600 11.9584 -9.99943 -29.2204 -13.0225 3.59745 -23.8485 -30.5901 -25.6711 -24.2367 TIMING: 2691600 CPU: 8023.53, 0.00299724/step Wall: 8023.53, 0.00299724/step, 1.9219 hours remaining, 206.871094 MB of memory in use. ENERGY: 2691600 706.1894 2104.2296 1955.1471 118.8848 -205764.3211 17648.7880 0.0000 0.0000 34174.0362 -149057.0460 298.4504 -183231.0822 -148963.3644 299.6105 45.6463 73.9660 557979.2378 -2.7485 -2.8936 PRESSURE: 2691800 47.6111 -10.0889 59.8114 -10.0895 -114.369 -76.4197 59.8113 -76.4191 15.8905 GPRESSURE: 2691800 64.7495 -71.9208 -18.1754 18.8879 -115.86 -46.2044 145.1 -59.5461 94.3767 PRESSAVG: 2691800 -47.3233 -38.5046 45.8689 -38.5046 28.5341 -0.515194 45.8689 -0.515238 15.3918 GPRESSAVG: 2691800 -47.5964 -39.3258 44.8714 -37.5641 27.1612 -2.29006 46.7389 -0.084922 17.3457 TIMING: 2691800 CPU: 8024.13, 0.00301555/step Wall: 8024.13, 0.00301555/step, 1.93347 hours remaining, 206.871094 MB of memory in use. ENERGY: 2691800 719.3574 2113.2640 1937.0428 116.7130 -205925.1498 17861.9261 0.0000 0.0000 34181.8033 -148995.0432 298.5182 -183176.8465 -148896.7175 299.7569 -16.9558 14.4221 558278.5466 -1.1325 -1.0298 PRESSURE: 2692000 -150.619 121.689 -70.0076 121.689 47.047 -53.5215 -70.0071 -53.5227 141.838 GPRESSURE: 2692000 -112.576 121.884 -57.9397 153.491 122.019 -4.66913 -65.9136 -32.2774 125.504 PRESSAVG: 2692000 -69.5667 -41.26 -1.35021 -41.26 -9.13623 8.85291 -1.35032 8.85293 78.9923 GPRESSAVG: 2692000 -69.2946 -39.312 0.0988823 -40.8019 -7.56609 9.12626 -1.42624 8.80546 76.939 TIMING: 2692000 CPU: 8024.73, 0.00299002/step Wall: 8024.73, 0.00299002/step, 1.91694 hours remaining, 206.871094 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: 2692000 753.3204 2051.5569 1923.9795 117.1297 -205801.0110 17833.4771 0.0000 0.0000 34267.6764 -148853.8711 299.2681 -183121.5474 -148755.4688 299.5548 12.7554 44.9822 558257.8531 0.0964 0.0261 PRESSURE: 2692200 -32.9078 -58.4247 114.549 -58.4252 -1.00791 -55.8696 114.547 -55.8674 -118.189 GPRESSURE: 2692200 -31.3447 -113.469 49.8526 -152.043 17.2466 -80.3947 87.9116 14.3361 -33.9193 PRESSAVG: 2692200 -50.991 -8.30132 51.9561 -8.30135 28.8448 -1.60959 51.9562 -1.60954 18.7056 GPRESSAVG: 2692200 -50.8363 -9.19223 48.6951 -10.0505 29.3441 -0.241161 54.3921 -2.12104 17.7341 TIMING: 2692200 CPU: 8025.32, 0.00297624/step Wall: 8025.32, 0.00297624/step, 1.90794 hours remaining, 206.871094 MB of memory in use. ENERGY: 2692200 738.8022 2031.9789 1935.3245 101.2434 -205817.3611 17678.3317 0.0000 0.0000 34496.1839 -148835.4965 301.2638 -183331.6804 -148738.4372 300.4646 -50.7016 -16.0058 558956.8182 -1.1469 -1.2527 LDB: ============= START OF LOAD BALANCING ============== 8028.75 LDB: ============== END OF LOAD BALANCING =============== 8028.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8028.75 LDB: ============= START OF LOAD BALANCING ============== 8029.05 LDB: Largest compute 4821 load 0.030785 is 26.1% of average load 0.118020 LDB: Average compute 0.001730 is 1.5% of average load 0.118020 LDB: TIME 8029.06 LOAD: AVG 0.11802 MAX 0.20669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.633 MB LDB: TIME 8029.06 LOAD: AVG 0.11802 MAX 0.20669 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.84 MB LDB: TIME 8029.06 LOAD: AVG 0.11802 MAX 0.20669 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.84 MB LDB: ============== END OF LOAD BALANCING =============== 8029.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8029.06 PRESSURE: 2692400 -23.451 18.2715 91.8355 18.2712 196.067 34.1743 91.8361 34.1735 28.7957 GPRESSURE: 2692400 -17.4869 118.285 61.7222 27.3338 214.459 60.8668 116.423 -89.8233 101.16 PRESSAVG: 2692400 -63.208 23.8745 24.5705 23.8746 44.3875 20.9314 24.5705 20.9314 28.3839 GPRESSAVG: 2692400 -63.7622 22.1459 26.2868 24.8215 44.5454 22.9666 23.2245 20.5367 29.6451 TIMING: 2692400 CPU: 8025.93, 0.0030419/step Wall: 8025.93, 0.0030419/step, 1.94986 hours remaining, 208.312500 MB of memory in use. ENERGY: 2692400 784.9528 2046.9252 1940.9321 101.7221 -205902.3799 17878.4869 0.0000 0.0000 34449.7740 -148699.5869 300.8584 -183149.3609 -148603.6220 300.3220 67.1374 99.3773 558648.7945 3.1878 3.4761 PRESSURE: 2692600 -89.1722 -31.4978 2.62189 -31.4972 -12.2771 141.974 2.62202 141.974 134.177 GPRESSURE: 2692600 -76.4902 -126.362 99.4324 -32.5246 0.0697708 153.127 3.56716 162.255 196.855 PRESSAVG: 2692600 -8.46619 -5.8908 20.391 -5.89083 13.3935 26.8354 20.391 26.8353 -7.28881 GPRESSAVG: 2692600 -8.29928 -5.76765 20.3044 -4.53267 12.7073 22.9821 21.1719 28.139 -6.71834 TIMING: 2692600 CPU: 8026.54, 0.0030173/step Wall: 8026.54, 0.0030173/step, 1.93392 hours remaining, 208.570312 MB of memory in use. ENERGY: 2692600 730.5872 2053.4493 1949.9002 109.6540 -205961.0726 17720.5641 0.0000 0.0000 34507.4086 -148889.5091 301.3618 -183396.9177 -148784.2346 300.3103 10.9091 40.1447 558018.6478 -0.7872 -0.7701 PRESSURE: 2692800 -22.1502 -116.436 -71.7549 -116.436 22.0556 -87.7485 -71.7552 -87.7482 106.205 GPRESSURE: 2692800 20.9022 -28.1952 -114.501 -183.35 75.4602 -141.61 -67.6476 -37.0474 115.471 PRESSAVG: 2692800 29.6823 -30.2876 56.0795 -30.2876 -37.6345 80.9132 56.0794 80.9133 38.0873 GPRESSAVG: 2692800 30.5795 -27.9288 55.5968 -31.4392 -37.5282 81.1683 53.3269 81.6366 37.8448 TIMING: 2692800 CPU: 8027.14, 0.00301241/step Wall: 8027.14, 0.00301241/step, 1.93062 hours remaining, 208.570312 MB of memory in use. ENERGY: 2692800 734.4773 2054.4818 1922.9003 100.7547 -206030.0558 17817.5733 0.0000 0.0000 34469.4790 -148930.3894 301.0305 -183399.8684 -148823.4700 299.9791 35.3700 70.6112 558154.3849 10.0451 10.2987 PRESSURE: 2693000 -295.817 -77.5585 -99.5807 -77.5591 -225.138 80.3988 -99.5805 80.3991 98.6693 GPRESSURE: 2693000 -291.502 -101.67 -79.6809 -42.9394 -184.225 88.0496 -89.2203 113.69 149.929 PRESSAVG: 2693000 16.771 -11.0703 -13.6213 -11.0703 8.71767 55.0296 -13.6213 55.0295 -24.6786 GPRESSAVG: 2693000 15.1268 -11.6656 -13.4031 -9.67943 9.02014 57.4817 -12.478 54.1779 -23.8752 TIMING: 2693000 CPU: 8027.74, 0.00298736/step Wall: 8027.74, 0.00298736/step, 1.9144 hours remaining, 208.570312 MB of memory in use. ENERGY: 2693000 709.9473 2065.8506 1938.3165 113.0372 -205584.6751 17554.1912 0.0000 0.0000 34239.2324 -148964.0999 299.0197 -183203.3324 -148859.9026 300.0117 -140.7617 -108.5995 559467.5300 0.2700 0.0906 PRESSURE: 2693200 -36.5011 -22.0593 12.2566 -22.0593 -139.392 0.800571 12.2551 0.802096 244.306 GPRESSURE: 2693200 62.4955 -21.9719 -33.8676 -47.4463 -121.265 -62.5541 32.6038 32.4549 214.731 PRESSAVG: 2693200 -39.4319 -50.4352 -25.8116 -50.4352 23.503 34.9835 -25.8117 34.9836 5.86434 GPRESSAVG: 2693200 -39.1568 -50.4257 -25.2048 -51.8253 24.1207 32.7199 -25.9425 33.9918 5.44779 TIMING: 2693200 CPU: 8028.33, 0.00296765/step Wall: 8028.33, 0.00296765/step, 1.90161 hours remaining, 208.570312 MB of memory in use. ENERGY: 2693200 746.2961 2128.7415 1931.2883 119.0200 -205758.9068 17641.5542 0.0000 0.0000 34231.7128 -148960.2939 298.9541 -183192.0067 -148872.2614 299.6027 22.8041 51.9870 558683.0902 -3.3549 -3.1961 PRESSURE: 2693400 24.0252 21.3681 -136.56 21.3681 -383.218 -5.22277 -136.56 -5.22252 -87.8947 GPRESSURE: 2693400 30.0414 14.4421 -128.593 -84.014 -336.781 -15.6768 -165.952 11.9237 -41.1515 PRESSAVG: 2693400 -16.9302 -51.1322 10.7862 -51.1323 4.44408 -45.5699 10.7862 -45.5699 -0.775685 GPRESSAVG: 2693400 -16.6462 -52.4671 10.0461 -51.303 5.20804 -43.9342 12.3539 -44.1557 -1.52663 TIMING: 2693400 CPU: 8028.93, 0.00298532/step Wall: 8028.93, 0.00298532/step, 1.91276 hours remaining, 208.570312 MB of memory in use. ENERGY: 2693400 736.2018 2026.4812 1946.4150 111.4245 -205859.8087 17627.5812 0.0000 0.0000 34257.1674 -149154.5377 299.1764 -183411.7050 -149060.4704 299.5603 -149.0292 -115.9639 559300.1635 -4.4206 -4.3216 PRESSURE: 2693600 84.8728 300.628 197.441 300.628 115.043 -212.23 197.44 -212.231 -130.483 GPRESSURE: 2693600 148.454 269.165 214.289 287.232 73.7294 -274.793 79.6845 -208.123 -51.5161 PRESSAVG: 2693600 -3.78507 29.9188 41.6293 29.9188 26.9123 -28.1921 41.6293 -28.1921 -27.2462 GPRESSAVG: 2693600 -3.8315 30.1773 39.5111 28.9536 26.6314 -30.7449 41.4213 -27.9007 -26.7025 TIMING: 2693600 CPU: 8029.52, 0.00299422/step Wall: 8029.52, 0.00299422/step, 1.9183 hours remaining, 208.570312 MB of memory in use. ENERGY: 2693600 717.8888 2042.7677 1933.8284 121.3425 -206256.0051 18000.0947 0.0000 0.0000 34336.0765 -149104.0066 299.8655 -183440.0831 -149005.5598 299.6156 23.1442 56.8890 558551.0576 -1.3730 -1.3009 PRESSURE: 2693800 -272.916 -50.3092 11.0062 -50.3099 303.733 -77.4351 11.0054 -77.4352 -320.431 GPRESSURE: 2693800 -205.951 -55.7824 41.0996 -43.3275 279.233 -16.8125 -25.5644 -167.921 -262.722 PRESSAVG: 2693800 -36.6742 28.3452 -37.2603 28.3451 97.9997 -26.6554 -37.2604 -26.6555 -44.9741 GPRESSAVG: 2693800 -35.9605 27.7319 -36.8359 28.4893 97.422 -23.4195 -39.1021 -29.0611 -44.9596 TIMING: 2693800 CPU: 8030.12, 0.00299562/step Wall: 8030.12, 0.00299562/step, 1.91903 hours remaining, 208.570312 MB of memory in use. ENERGY: 2693800 759.1996 2129.7116 1925.7914 112.6131 -206041.7659 17800.3124 0.0000 0.0000 34403.9947 -148910.1431 300.4586 -183314.1378 -148823.8976 300.1393 -96.5382 -63.1469 558503.1754 5.4505 5.5006 PRESSURE: 2694000 -80.0336 -72.9187 10.6592 -72.9198 -61.9795 29.8568 10.6603 29.8571 89.3201 GPRESSURE: 2694000 -54.2137 7.21599 -3.69639 -151.981 -11.3346 21.6239 -0.585896 29.1223 101.547 PRESSAVG: 2694000 8.89638 -23.8605 -13.6981 -23.8605 -2.31797 16.2165 -13.6982 16.2163 -9.46733 GPRESSAVG: 2694000 7.59259 -23.2439 -10.3771 -23.8717 -2.03436 16.9352 -13.6692 17.0304 -7.90715 TIMING: 2694000 CPU: 8030.72, 0.00299278/step Wall: 8030.72, 0.00299278/step, 1.91704 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: 2694000 731.1614 2044.4532 1950.1540 112.0673 -206052.4802 17793.5405 0.0000 0.0000 34567.1971 -148853.9067 301.8839 -183421.1038 -148752.0645 300.6282 -17.5644 11.9996 557463.3286 -0.9630 -0.7830 PRESSURE: 2694200 -170.445 -52.9874 61.843 -52.9878 -75.0267 -106.655 61.8419 -106.657 -211.902 GPRESSURE: 2694200 -154.388 -25.2398 81.9761 -36.2481 -69.9681 -64.4063 -29.6445 -168.291 -126.952 PRESSAVG: 2694200 -12.7618 6.01182 -29.3257 6.01185 -19.832 18.8464 -29.3258 18.8463 15.4389 GPRESSAVG: 2694200 -11.6231 6.33939 -31.7016 6.71412 -19.4873 17.8176 -29.7286 18.5071 14.1772 TIMING: 2694200 CPU: 8031.32, 0.00299164/step Wall: 8031.32, 0.00299164/step, 1.91614 hours remaining, 208.570312 MB of memory in use. ENERGY: 2694200 790.7331 2117.8932 1932.5953 116.2048 -205633.2138 17678.8940 0.0000 0.0000 34251.9208 -148744.9726 299.1305 -182996.8934 -148648.0095 300.7646 -152.4580 -117.1026 560035.4153 -5.7183 -5.6444 PRESSURE: 2694400 56.9011 55.6174 -40.262 55.6177 -101.79 -53.9992 -40.2629 -53.9983 -268.441 GPRESSURE: 2694400 139.442 43.3354 -148.687 86.1163 -112.053 -71.3135 72.4145 -83.6154 -242.318 PRESSAVG: 2694400 16.1127 2.16186 1.81454 2.16188 5.85912 -1.93083 1.81456 -1.93075 6.44627 GPRESSAVG: 2694400 15.979 3.25519 3.89631 0.884008 5.72911 -2.18833 1.98042 -1.32145 6.54921 TIMING: 2694400 CPU: 8031.92, 0.00299726/step Wall: 8031.92, 0.00299726/step, 1.91958 hours remaining, 208.570312 MB of memory in use. ENERGY: 2694400 795.6467 2086.2320 1951.9262 120.7910 -205863.2871 17712.5576 0.0000 0.0000 34384.7399 -148811.3938 300.2905 -183196.1337 -148713.8338 300.5619 -104.4435 -71.6430 557615.9283 9.4727 9.4191 PRESSURE: 2694600 -111.51 -65.5768 99.2143 -65.5762 -66.2811 -71.703 99.2149 -71.702 68.5718 GPRESSURE: 2694600 -55.7355 -105.824 63.3222 -91.2375 -33.5974 -9.94248 116.065 -66.6851 76.0163 PRESSAVG: 2694600 52.7647 6.67913 3.28434 6.67908 -40.358 -61.3421 3.28429 -61.3422 -14.0377 GPRESSAVG: 2694600 53.9353 4.67182 1.8568 7.22496 -40.7914 -62.2119 4.70129 -61.2037 -14.1574 TIMING: 2694600 CPU: 8032.52, 0.00300582/step Wall: 8032.52, 0.00300582/step, 1.92489 hours remaining, 208.570312 MB of memory in use. ENERGY: 2694600 768.5542 2106.9633 1912.2429 102.6912 -206091.2061 17735.9201 0.0000 0.0000 34458.2630 -149006.5714 300.9326 -183464.8344 -148910.8223 300.1561 -36.4065 -4.4389 557685.5564 -0.5437 -0.3378 PRESSURE: 2694800 312.854 22.4218 -7.10086 22.4223 270.831 -210.651 -7.10033 -210.652 102.03 GPRESSURE: 2694800 355.288 -0.0199077 -31.4676 28.3875 283.966 -244.57 13.1563 -207.723 132.416 PRESSAVG: 2694800 -8.00265 -12.6301 16.7714 -12.6302 30.3058 34.3887 16.7714 34.3888 -41.5638 GPRESSAVG: 2694800 -7.50753 -13.2382 17.4767 -11.5876 30.433 36.0317 16.9135 35.2164 -41.8517 TIMING: 2694800 CPU: 8033.12, 0.00301297/step Wall: 8033.12, 0.00301297/step, 1.92931 hours remaining, 208.570312 MB of memory in use. ENERGY: 2694800 714.5735 2107.4846 1959.3217 103.5699 -206077.9748 18007.9269 0.0000 0.0000 34291.7136 -148893.3845 299.4781 -183185.0981 -148795.3826 300.1607 228.5717 257.2230 557425.0744 -6.4202 -6.3087 PRESSURE: 2695000 -50.664 0.995654 114.245 0.995449 121.045 -23.3603 114.245 -23.3598 -169.584 GPRESSURE: 2695000 16.8534 -15.4817 136.297 41.0307 145.353 11.3832 117.631 -91.269 -162.502 PRESSAVG: 2695000 38.7194 -46.5343 5.28571 -46.5343 68.0227 13.9726 5.2857 13.9726 -73.624 GPRESSAVG: 2695000 37.771 -46.0204 5.56433 -46.0802 68.4786 12.2766 4.09479 13.0583 -73.0485 TIMING: 2695000 CPU: 8033.73, 0.00302566/step Wall: 8033.73, 0.00302566/step, 1.93727 hours remaining, 208.570312 MB of memory in use. ENERGY: 2695000 706.5294 2072.6817 1935.7778 115.1296 -205476.4628 17623.9820 0.0000 0.0000 34242.3591 -148780.0034 299.0470 -183022.3624 -148685.0086 299.5443 -33.0676 -0.0988 558871.7424 11.0394 11.0670 PRESSURE: 2695200 26.2831 118.485 -38.5711 118.486 -9.11976 -49.1906 -38.5707 -49.1924 -51.3254 GPRESSURE: 2695200 82.0922 154.552 -66.69 0.91768 1.39375 -22.2316 55.5711 -104.823 -27.5448 PRESSAVG: 2695200 0.776026 10.0297 -1.8256 10.0297 8.76055 -59.1706 -1.82567 -59.1707 -50.5758 GPRESSAVG: 2695200 1.51066 10.4483 -1.90036 8.7866 8.18591 -58.6608 -0.0269437 -60.0611 -50.6868 TIMING: 2695200 CPU: 8034.33, 0.00298087/step Wall: 8034.33, 0.00298087/step, 1.90842 hours remaining, 208.570312 MB of memory in use. ENERGY: 2695200 753.3219 2013.7332 1937.5622 109.5490 -205705.4889 17654.4118 0.0000 0.0000 34412.0516 -148824.8592 300.5290 -183236.9109 -148730.2217 299.7117 -11.3874 18.6470 558485.2170 -13.6798 -13.6634 PRESSURE: 2695400 43.1522 -7.22831 -29.0568 -7.22925 -357.266 -108.706 -29.0565 -108.704 -286.623 GPRESSURE: 2695400 59.8415 -5.07184 -47.652 -38.9241 -305.713 -152.153 1.8712 -46.9697 -263.558 PRESSAVG: 2695400 48.0725 0.102903 5.7177 0.102889 -0.00322897 1.18376 5.71771 1.18383 -26.4439 GPRESSAVG: 2695400 47.2752 -1.81183 5.66505 -0.137651 0.788037 -1.11814 5.35112 1.90451 -26.6561 TIMING: 2695400 CPU: 8034.92, 0.00298056/step Wall: 8034.92, 0.00298056/step, 1.90805 hours remaining, 208.570312 MB of memory in use. ENERGY: 2695400 754.1241 2082.6651 1951.2452 120.3280 -205533.2354 17432.5173 0.0000 0.0000 34294.5450 -148897.8107 299.5028 -183192.3558 -148798.6509 300.5566 -200.2456 -169.8098 557695.7126 7.2085 7.1357 PRESSURE: 2695600 90.5706 12.8051 166.196 12.8031 -23.6584 52.2591 166.196 52.2601 57.1326 GPRESSURE: 2695600 116.18 22.2414 176.643 32.8806 -9.87595 115.939 133.936 5.77809 118.97 PRESSAVG: 2695600 64.9356 11.0384 86.6958 11.0384 -9.17131 -22.8058 86.6958 -22.8058 -41.2527 GPRESSAVG: 2695600 64.7788 12.8008 86.4234 11.1661 -9.26864 -21.3537 87.0473 -23.502 -41.3546 TIMING: 2695600 CPU: 8035.52, 0.00300057/step Wall: 8035.52, 0.00300057/step, 1.9207 hours remaining, 208.570312 MB of memory in use. ENERGY: 2695600 720.4892 2038.3310 1963.2965 113.5647 -205960.0663 17862.0496 0.0000 0.0000 34234.8446 -149027.4907 298.9814 -183262.3353 -148926.6247 300.3622 41.3483 75.0912 557169.4488 4.8372 4.7185 PRESSURE: 2695800 140.899 57.5038 -94.5398 57.5031 158.662 -27.26 -94.5409 -27.2602 -113.243 GPRESSURE: 2695800 217.406 -37.3521 -62.4579 37.905 135.995 14.2332 -120.615 -83.8288 -53.5035 PRESSAVG: 2695800 -36.7368 17.9732 46.3433 17.9732 56.9033 -40.9881 46.3433 -40.9882 -55.4966 GPRESSAVG: 2695800 -36.7888 18.5229 45.7071 17.3845 56.3972 -40.745 45.5733 -38.0448 -54.8176 TIMING: 2695800 CPU: 8036.12, 0.002978/step Wall: 8036.12, 0.002978/step, 1.90609 hours remaining, 208.570312 MB of memory in use. ENERGY: 2695800 750.2839 2083.7505 1927.1958 109.5914 -206067.1918 17772.2299 0.0000 0.0000 34550.8415 -148873.2988 301.7411 -183424.1403 -148776.5082 299.5726 62.1058 99.9659 555998.8270 -11.7767 -11.7364 PRESSURE: 2696000 210.867 -67.7595 16.5737 -67.7582 33.3052 68.2281 16.5741 68.228 -47.6887 GPRESSURE: 2696000 210.065 -133.088 16.5881 -14.5685 77.2112 89.467 -23.5104 134.164 -8.45131 PRESSAVG: 2696000 -19.9251 -25.6271 5.71782 -25.6271 38.9885 -55.9918 5.71774 -55.9918 -9.32547 GPRESSAVG: 2696000 -20.4477 -26.5455 8.48763 -25.7032 39.7881 -56.1798 4.48716 -59.0276 -9.98913 TIMING: 2696000 CPU: 8036.71, 0.00298747/step Wall: 8036.71, 0.00298747/step, 1.91198 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: 2696000 704.3346 2031.4980 1929.7195 117.3144 -205820.0134 17660.3118 0.0000 0.0000 34418.7035 -148958.1316 300.5871 -183376.8351 -148864.3245 300.3243 65.4946 92.9416 557387.9553 3.2460 3.1171 PRESSURE: 2696200 168.127 122.561 167.615 122.561 61.2046 63.877 167.616 63.8757 34.9414 GPRESSURE: 2696200 207.766 155.779 162.884 50.888 117.948 -23.9607 64.8239 89.5006 43.3369 PRESSAVG: 2696200 -3.20795 -36.7242 18.3382 -36.7242 -37.8889 64.7464 18.3382 64.7465 81.6138 GPRESSAVG: 2696200 -1.14047 -36.6987 14.7336 -36.4391 -39.3877 65.5587 19.6577 63.9358 81.531 TIMING: 2696200 CPU: 8037.31, 0.00299065/step Wall: 8037.31, 0.00299065/step, 1.91385 hours remaining, 208.570312 MB of memory in use. ENERGY: 2696200 713.1036 2064.0632 1976.3630 116.4062 -206081.4880 17845.8209 0.0000 0.0000 34346.3150 -149019.4160 299.9549 -183365.7310 -148924.9734 299.9225 88.0910 123.0173 557200.3234 13.5056 13.6676 LDB: ============= START OF LOAD BALANCING ============== 8040.74 LDB: ============== END OF LOAD BALANCING =============== 8040.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8040.74 LDB: ============= START OF LOAD BALANCING ============== 8041.04 LDB: Largest compute 4821 load 0.030631 is 26.0% of average load 0.117986 LDB: Average compute 0.001733 is 1.5% of average load 0.117986 LDB: TIME 8041.04 LOAD: AVG 0.117986 MAX 0.205617 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.367 MB LDB: TIME 8041.04 LOAD: AVG 0.117986 MAX 0.205617 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.5 MB LDB: TIME 8041.04 LOAD: AVG 0.117986 MAX 0.205617 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8041.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8041.05 PRESSURE: 2696400 -350.311 155.14 129.998 155.14 7.69095 90.0512 129.997 90.0517 -17.982 GPRESSURE: 2696400 -325.206 194.991 97.9561 41.794 39.9824 100.474 112.359 75.1469 11.6674 PRESSAVG: 2696400 -28.6168 39.8566 60.801 39.8566 3.12061 8.39799 60.8011 8.3981 -19.7035 GPRESSAVG: 2696400 -28.6399 41.6147 63.6035 37.0335 4.61046 8.25728 58.1436 10.8161 -21.5646 TIMING: 2696400 CPU: 8037.92, 0.00304274/step Wall: 8037.92, 0.00304274/step, 1.94702 hours remaining, 205.796875 MB of memory in use. ENERGY: 2696400 732.6082 2140.5945 1964.9105 111.5784 -205816.0439 17619.0384 0.0000 0.0000 34152.2823 -149095.0316 298.2604 -183247.3139 -148993.2400 299.5352 -120.2007 -91.1855 558623.0028 -15.0666 -15.1980 PRESSURE: 2696600 -88.3009 -70.7415 103.908 -70.7413 -66.2235 55.097 103.907 55.0964 -237.089 GPRESSURE: 2696600 -76.8123 -109.183 94.7319 -65.3589 -34.822 164.114 134.902 84.9319 -191.759 PRESSAVG: 2696600 -16.5827 2.28022 37.6888 2.28025 -23.0263 73.5042 37.6888 73.5041 51.2868 GPRESSAVG: 2696600 -18.1346 0.912688 35.3266 3.16329 -23.0938 71.6843 41.2255 72.718 52.9558 TIMING: 2696600 CPU: 8038.52, 0.00298133/step Wall: 8038.52, 0.00298133/step, 1.90756 hours remaining, 206.000000 MB of memory in use. ENERGY: 2696600 772.5573 2030.2480 1918.7185 122.1109 -205983.7222 17706.3948 0.0000 0.0000 34346.5849 -149087.1079 299.9573 -183433.6928 -148989.1131 299.1143 -130.5378 -101.1310 558525.1011 3.8926 3.9091 PRESSURE: 2696800 -9.40292 -166.536 -96.9277 -166.537 36.8299 0.883545 -96.9286 0.881814 -408.484 GPRESSURE: 2696800 -15.2668 -101.579 -11.2119 -178.123 29.7935 -47.3852 -212.112 35.5401 -306.29 PRESSAVG: 2696800 25.2591 -56.2572 17.3721 -56.2573 5.15893 -12.2516 17.3721 -12.2516 -3.58785 GPRESSAVG: 2696800 25.2923 -54.6219 18.535 -54.9123 5.24341 -11.4784 16.258 -11.5108 -3.84587 TIMING: 2696800 CPU: 8039.12, 0.00299603/step Wall: 8039.12, 0.00299603/step, 1.9168 hours remaining, 206.000000 MB of memory in use. ENERGY: 2696800 758.5918 2072.7093 1945.2052 118.0155 -206128.5197 17712.2635 0.0000 0.0000 34457.4068 -149064.3276 300.9251 -183521.7344 -148960.7899 299.8224 -127.0189 -97.2545 558446.8357 8.9434 8.8966 PRESSURE: 2697000 -106.308 -44.0823 72.5976 -44.0832 -95.6648 -45.8576 72.5973 -45.8571 -154.306 GPRESSURE: 2697000 -60.5023 1.35942 103.47 -81.6966 -56.7659 -20.8152 145.903 -98.6825 -138.823 PRESSAVG: 2697000 -31.0256 -35.1762 -17.8967 -35.1762 -10.2737 -7.80725 -17.8967 -7.80724 36.4428 GPRESSAVG: 2697000 -29.3469 -36.1784 -19.0503 -35.3362 -11.3162 -5.91242 -15.9034 -10.0886 35.9209 TIMING: 2697000 CPU: 8039.71, 0.00298141/step Wall: 8039.71, 0.00298141/step, 1.90727 hours remaining, 206.000000 MB of memory in use. ENERGY: 2697000 742.7005 1988.7939 1960.2862 115.4594 -206080.0871 17756.0307 0.0000 0.0000 34510.1914 -149006.6250 301.3861 -183516.8164 -148897.8944 300.3530 -118.7597 -85.3637 557729.2721 -1.6188 -1.5808 PRESSURE: 2697200 16.4668 71.3931 -149.043 71.3929 -61.5845 43.1829 -149.044 43.1839 -65.6982 GPRESSURE: 2697200 31.3546 16.8273 -74.0779 71.093 -43.8809 45.0047 -217.898 63.2525 -9.25942 PRESSAVG: 2697200 56.4775 30.8025 -3.37296 30.8025 -77.7984 -16.5536 -3.37299 -16.5536 10.6089 GPRESSAVG: 2697200 55.4311 30.8183 -1.22805 30.3295 -78.0644 -21.3586 -5.32093 -13.3183 12.8051 TIMING: 2697200 CPU: 8040.3, 0.00294671/step Wall: 8040.3, 0.00294671/step, 1.88491 hours remaining, 206.000000 MB of memory in use. ENERGY: 2697200 718.3523 2121.3588 1940.1060 111.9032 -206307.8462 17923.3292 0.0000 0.0000 34322.7181 -149170.0787 299.7488 -183492.7967 -149081.0323 300.0286 -36.9387 -7.2619 559122.3729 -3.5706 -3.2761 PRESSURE: 2697400 261.548 138.279 -106.019 138.278 -104.228 -22.143 -106.019 -22.1444 -176.971 GPRESSURE: 2697400 289.414 69.8966 -79.6081 67.5336 -77.3456 -84.0096 -165.765 29.6716 -136.678 PRESSAVG: 2697400 -72.4156 81.2211 -14.1618 81.2209 4.2879 52.1288 -14.1618 52.1287 23.8901 GPRESSAVG: 2697400 -72.8132 81.2257 -14.0214 82.4689 6.10217 54.7686 -14.4549 49.3411 22.5932 TIMING: 2697400 CPU: 8040.9, 0.00296785/step Wall: 8040.9, 0.00296785/step, 1.89827 hours remaining, 206.000000 MB of memory in use. ENERGY: 2697400 762.5940 2032.5018 1949.9838 112.4950 -206174.8094 17895.0182 0.0000 0.0000 34326.4538 -149095.7629 299.7815 -183422.2166 -148996.3861 299.7106 -6.5501 25.1301 558372.2111 -14.7459 -14.7060 PRESSURE: 2697600 175.89 -24.3329 -183.023 -24.3322 27.0294 -94.6443 -183.023 -94.6455 195.59 GPRESSURE: 2697600 220.846 6.05046 -180.412 -75.1744 8.47104 -6.27728 -77.3211 -30.9905 263.087 PRESSAVG: 2697600 -49.9302 -23.3812 -40.0983 -23.3813 -51.3492 56.2522 -40.0983 56.2522 106.113 GPRESSAVG: 2697600 -50.0126 -25.0076 -39.2986 -23.0709 -51.4905 58.0787 -39.9677 55.2207 106.221 TIMING: 2697600 CPU: 8041.49, 0.00299377/step Wall: 8041.49, 0.00299377/step, 1.91468 hours remaining, 206.000000 MB of memory in use. ENERGY: 2697600 725.5479 2023.9818 1941.2944 109.3455 -206252.4809 17985.9053 0.0000 0.0000 34333.9544 -149132.4516 299.8470 -183466.4060 -149033.2840 299.8555 132.8364 164.1346 556527.6869 1.6113 1.5726 PRESSURE: 2697800 -36.8399 54.0646 -96.6296 54.0633 -56.0263 -94.5278 -96.6285 -94.5276 -64.8055 GPRESSURE: 2697800 -29.2806 38.3901 -163.829 62.304 -24.0575 -128.397 -102.239 -58.3511 -14.9202 PRESSAVG: 2697800 -3.91001 5.36827 -2.56376 5.36824 -25.2043 52.3372 -2.56371 52.3372 94.8025 GPRESSAVG: 2697800 -3.94456 5.84012 -5.28564 5.06517 -26.5681 50.5885 -2.34194 53.4456 95.4479 TIMING: 2697800 CPU: 8042.09, 0.00298653/step Wall: 8042.09, 0.00298653/step, 1.90989 hours remaining, 206.000000 MB of memory in use. ENERGY: 2697800 763.8910 2078.1533 1982.0473 115.4484 -206014.7047 17656.9130 0.0000 0.0000 34355.5855 -149062.6663 300.0359 -183418.2518 -148969.5218 299.0846 -52.5573 -22.7527 556788.7783 21.8961 21.6451 PRESSURE: 2698000 -97.7099 -44.9101 104.647 -44.9102 166.564 -36.628 104.649 -36.6282 4.84462 GPRESSURE: 2698000 -68.2361 -16.575 181.804 -2.8124 211.013 -84.6509 22.0804 6.15186 31.2544 PRESSAVG: 2698000 17.4209 0.879274 -44.8835 0.879234 -19.9574 -12.3302 -44.8836 -12.3303 8.96805 GPRESSAVG: 2698000 16.5003 0.793773 -45.1001 2.98859 -20.1621 -12.6681 -45.0439 -14.2664 9.52532 TIMING: 2698000 CPU: 8042.69, 0.00299693/step Wall: 8042.69, 0.00299693/step, 1.91637 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: 2698000 723.0583 2108.4345 1967.4497 112.9751 -206316.2769 17808.6148 0.0000 0.0000 34378.6652 -149217.0793 300.2374 -183595.7445 -149115.4125 299.3479 24.5663 58.0106 556925.0727 2.1438 1.9545 PRESSURE: 2698200 282.381 -122.933 144.766 -122.933 -210.806 11.1489 144.767 11.1483 -304.775 GPRESSURE: 2698200 293.978 -128 124.96 -68.2247 -185.606 -26.7495 146.947 9.84519 -241.72 PRESSAVG: 2698200 38.9682 9.30632 2.0093 9.30628 -30.8927 -23.4785 2.00923 -23.4786 -11.3457 GPRESSAVG: 2698200 40.3789 10.4118 2.0492 5.47695 -29.4756 -22.3921 1.79768 -23.497 -13.6028 TIMING: 2698200 CPU: 8043.29, 0.00299768/step Wall: 8043.29, 0.00299768/step, 1.91669 hours remaining, 206.000000 MB of memory in use. ENERGY: 2698200 762.6380 2030.9676 1952.0455 135.8059 -205960.5905 17738.9491 0.0000 0.0000 34246.0149 -149094.1694 299.0790 -183340.1843 -148995.0193 299.6512 -77.7333 -44.4491 557414.5575 -1.0901 -0.8998 PRESSURE: 2698400 11.9856 152.174 -208.825 152.174 -112.942 118.429 -208.824 118.427 -52.3388 GPRESSURE: 2698400 -27.484 144.041 -233.853 66.6131 -66.5996 88.1931 -232.135 91.7794 18.0926 PRESSAVG: 2698400 69.8808 -16.8187 -14.542 -16.8188 -59.3871 23.2646 -14.5419 23.2647 -60.4008 GPRESSAVG: 2698400 70.1199 -17.151 -13.6802 -17.6724 -60.6005 23.7363 -14.5895 23.9277 -59.2763 TIMING: 2698400 CPU: 8043.89, 0.00300613/step Wall: 8043.89, 0.00300613/step, 1.92192 hours remaining, 206.000000 MB of memory in use. ENERGY: 2698400 704.7623 2140.1606 1939.9309 107.9317 -205826.7073 17566.2320 0.0000 0.0000 34282.1975 -149085.4923 299.3950 -183367.6898 -148991.2652 299.7848 -51.0984 -25.3303 557377.8229 -16.6357 -16.5856 PRESSURE: 2698600 9.7674 -89.7819 -43.1358 -89.7808 69.088 -45.2049 -43.136 -45.204 83.3481 GPRESSURE: 2698600 8.05684 -8.73345 -164.246 -132.358 102.921 13.0378 -0.495064 -141.226 139.674 PRESSAVG: 2698600 -51.2998 60.8167 -19.4888 60.8167 27.5361 -0.414607 -19.4889 -0.414661 40.7157 GPRESSAVG: 2698600 -52.9495 61.536 -20.5405 63.1307 28.0273 -1.78648 -19.2399 0.871693 41.6991 TIMING: 2698600 CPU: 8044.49, 0.00298914/step Wall: 8044.49, 0.00298914/step, 1.91089 hours remaining, 206.000000 MB of memory in use. ENERGY: 2698600 731.4875 2142.3752 1937.3865 117.6745 -205737.7808 17440.9205 0.0000 0.0000 34210.9881 -149156.9485 298.7731 -183367.9366 -149061.2669 299.0239 54.0678 83.5508 556978.8749 5.6507 5.5923 PRESSURE: 2698800 13.6268 46.2422 -87.078 46.2417 -144.744 -4.71577 -87.0778 -4.71407 -147.81 GPRESSURE: 2698800 35.8861 47.7416 -97.4463 83.9939 -60.2897 39.0423 -6.20747 52.5618 -150.527 PRESSAVG: 2698800 -59.5625 -9.25264 1.03191 -9.25274 61.3471 -5.56387 1.03189 -5.56387 23.8178 GPRESSAVG: 2698800 -59.5399 -9.52931 3.38673 -8.31154 61.8718 -4.18333 -0.561312 -5.64711 23.3226 TIMING: 2698800 CPU: 8045.09, 0.00298021/step Wall: 8045.09, 0.00298021/step, 1.90501 hours remaining, 206.000000 MB of memory in use. ENERGY: 2698800 733.3479 2063.9290 1939.5858 118.5903 -205677.3839 17653.2226 0.0000 0.0000 34040.6156 -149128.0928 297.2852 -183168.7084 -149034.4476 298.9054 -92.9759 -58.3103 557367.9548 8.5341 8.5515 PRESSURE: 2699000 -21.3386 45.0238 78.6231 45.0237 230.364 -7.79166 78.6215 -7.78938 297.091 GPRESSURE: 2699000 42.6208 29.5579 41.2973 96.1803 258.677 -0.643978 91.2934 30.8514 299.943 PRESSAVG: 2699000 19.9407 -1.78682 -3.46627 -1.78679 2.47515 -17.6838 -3.46632 -17.6838 -31.0469 GPRESSAVG: 2699000 21.3197 -2.98868 -2.68215 -1.87193 0.604859 -18.6385 -1.88458 -17.0478 -31.4564 TIMING: 2699000 CPU: 8045.68, 0.00298212/step Wall: 8045.68, 0.00298212/step, 1.90607 hours remaining, 206.000000 MB of memory in use. ENERGY: 2699000 725.1635 2060.7369 1955.7644 109.0708 -206507.7034 18030.0199 0.0000 0.0000 34426.4089 -149200.5389 300.6544 -183626.9478 -149103.3365 299.4294 168.7056 200.4135 555918.5950 -2.8770 -3.1773 PRESSURE: 2699200 164.912 -124.173 163.751 -124.172 6.60479 -59.4674 163.75 -59.4683 43.543 GPRESSURE: 2699200 177.36 -214.443 136.593 -118.049 72.4865 -72.2961 122.568 30.0154 72.1852 PRESSAVG: 2699200 31.5925 -60.2939 -2.51083 -60.2938 -21.4462 11.173 -2.5108 11.1731 -10.7251 GPRESSAVG: 2699200 31.015 -61.427 -4.75035 -60.454 -20.8114 12.5423 -1.31247 9.90896 -10.5583 TIMING: 2699200 CPU: 8046.28, 0.00300491/step Wall: 8046.28, 0.00300491/step, 1.92047 hours remaining, 206.000000 MB of memory in use. ENERGY: 2699200 762.2657 2025.1692 1932.5051 110.1180 -206322.5954 18043.4448 0.0000 0.0000 34306.5253 -149142.5673 299.6074 -183449.0926 -149047.1290 299.4686 71.6865 107.3440 558014.3920 -0.1929 -0.1182 PRESSURE: 2699400 -145.776 -74.869 36.8313 -74.868 -92.1872 68.4282 36.8321 68.4288 236.832 GPRESSURE: 2699400 -70.8138 -21.0226 95.2191 -193.062 -98.9386 59.8144 -3.48268 87.3702 270.517 PRESSAVG: 2699400 51.3943 -88.4088 6.08641 -88.4087 -51.3723 -49.1009 6.08647 -49.1007 29.7013 GPRESSAVG: 2699400 50.1614 -87.1439 6.75392 -87.136 -51.0204 -48.1329 7.08191 -49.3069 30.771 TIMING: 2699400 CPU: 8046.89, 0.00301264/step Wall: 8046.89, 0.00301264/step, 1.92524 hours remaining, 206.000000 MB of memory in use. ENERGY: 2699400 728.1454 2089.7108 1944.4284 119.6155 -206301.0452 17919.1417 0.0000 0.0000 34240.3844 -149259.6189 299.0298 -183500.0033 -149164.0673 298.7322 -0.3768 33.5881 558102.9440 9.9078 9.9706 PRESSURE: 2699600 -43.753 97.1012 -52.698 97.1021 200.837 109.816 -52.6999 109.813 -10.7398 GPRESSURE: 2699600 -8.46431 47.0126 -158.881 156.803 241.393 90.834 -56.852 124.779 19.9819 PRESSAVG: 2699600 46.5649 -23.364 -20.6101 -23.3639 -53.2211 8.80088 -20.61 8.80089 10.1274 GPRESSAVG: 2699600 48.9169 -23.6643 -19.6895 -26.3555 -53.0305 5.49232 -22.8547 10.8329 7.94839 TIMING: 2699600 CPU: 8047.49, 0.00304153/step Wall: 8047.49, 0.00304153/step, 1.94354 hours remaining, 206.000000 MB of memory in use. ENERGY: 2699600 720.5744 2109.2394 1956.8169 116.8860 -206226.8095 17896.2970 0.0000 0.0000 34030.0173 -149396.9785 297.1926 -183426.9958 -149301.5218 298.4029 48.7815 84.3037 557310.0822 1.1571 1.2783 PRESSURE: 2699800 -159.642 -94.9753 60.7182 -94.9767 -238.745 43.0996 60.7174 43.0999 154.165 GPRESSURE: 2699800 -98.7233 -81.5355 69.8423 -119.172 -211.854 0.262787 26.0652 21.6144 159.055 PRESSAVG: 2699800 46.8386 6.61068 2.25549 6.61067 -90.8519 -21.591 2.25536 -21.591 34.4702 GPRESSAVG: 2699800 46.0722 6.95488 -0.201872 8.63048 -91.4574 -20.7454 2.52131 -22.2348 35.8421 TIMING: 2699800 CPU: 8048.1, 0.00303244/step Wall: 8048.1, 0.00303244/step, 1.93756 hours remaining, 206.199219 MB of memory in use. ENERGY: 2699800 745.4280 2115.8391 1941.2826 106.5573 -206203.6053 17824.5280 0.0000 0.0000 34065.9908 -149403.9796 297.5068 -183469.9704 -149300.3474 298.4837 -81.4072 -50.5072 558924.1721 -3.1810 -3.1810 PRESSURE: 2700000 -370.723 140.712 202.212 140.711 -492.973 62.0004 202.212 62.0011 119.193 GPRESSURE: 2700000 -393.193 171.169 116.682 88.1484 -380.347 6.39829 237.642 185.653 136.631 PRESSAVG: 2700000 -28.9602 66.0237 -21.6473 66.0237 -103.502 -9.49713 -21.6472 -9.4971 96.5335 GPRESSAVG: 2700000 -29.5657 65.553 -18.74 65.8207 -103.047 -10.51 -21.9122 -7.72426 96.7593 TIMING: 2700000 CPU: 8048.7, 0.00298742/step Wall: 8048.7, 0.00298742/step, 1.90863 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: 2700000 758.4123 2044.9831 1933.2225 113.2139 -206035.4493 17626.8319 0.0000 0.0000 34056.1232 -149502.6623 297.4206 -183558.7855 -149407.9962 297.8927 -248.1676 -212.3029 558921.6473 -11.9763 -11.9511 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2700000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2700000 WRITING COORDINATES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2700200 269.12 66.1827 -33.1064 66.184 138.472 -51.9475 -33.1051 -51.9476 -71.9897 GPRESSURE: 2700200 277.609 -0.748485 -7.14259 63.1024 226.581 -66.588 37.6732 28.2583 -68.9539 PRESSAVG: 2700200 3.60994 -17.2267 45.4829 -17.2266 -49.9505 -83.7945 45.4829 -83.7944 60.7857 GPRESSAVG: 2700200 2.46297 -19.4299 44.9326 -16.7586 -48.9532 -83.0657 45.0006 -85.222 61.1592 TIMING: 2700200 CPU: 8049.38, 0.00342555/step Wall: 8049.38, 0.00342555/step, 2.18836 hours remaining, 206.199219 MB of memory in use. ENERGY: 2700200 741.1517 2075.7481 1953.4933 98.6576 -206375.9519 17932.8647 0.0000 0.0000 34177.8769 -149396.1597 298.4839 -183574.0366 -149300.1374 298.4749 111.8676 145.0789 557707.3751 4.8150 4.8897 LDB: ============= START OF LOAD BALANCING ============== 8052.82 LDB: ============== END OF LOAD BALANCING =============== 8052.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8052.82 LDB: ============= START OF LOAD BALANCING ============== 8053.12 LDB: Largest compute 4821 load 0.029885 is 25.3% of average load 0.118038 LDB: Average compute 0.001731 is 1.5% of average load 0.118038 LDB: TIME 8053.12 LOAD: AVG 0.118038 MAX 0.205719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.309 MB LDB: TIME 8053.12 LOAD: AVG 0.118038 MAX 0.205719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.371 MB LDB: TIME 8053.12 LOAD: AVG 0.118038 MAX 0.205719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.371 MB LDB: ============== END OF LOAD BALANCING =============== 8053.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8053.13 PRESSURE: 2700400 174.962 -87.2831 -100.195 -87.2819 -69.9316 95.4364 -100.193 95.4366 -96.4574 GPRESSURE: 2700400 202.95 -41.1637 -141.895 -111.019 -50.0642 129.576 -73.3859 119.211 -36.8631 PRESSAVG: 2700400 47.2195 18.6295 40.2526 18.6296 20.086 -34.223 40.2526 -34.223 -11.5916 GPRESSAVG: 2700400 49.3356 19.7878 38.4183 19.6956 18.9928 -33.2181 42.2736 -34.9409 -12.3077 TIMING: 2700400 CPU: 8050, 0.00306624/step Wall: 8050, 0.00306624/step, 1.95865 hours remaining, 206.328125 MB of memory in use. ENERGY: 2700400 760.2361 2097.5194 1969.3423 110.6572 -206239.5530 17671.0301 0.0000 0.0000 34155.9708 -149474.7970 298.2926 -183630.7678 -149373.3362 298.6347 2.8575 38.6741 556334.0582 18.5713 18.6735 PRESSURE: 2700600 88.3186 -95.0603 68.7644 -95.0612 -142.371 -94.6907 68.7649 -94.6914 -7.63282 GPRESSURE: 2700600 170.175 -74.5125 90.6063 -159.575 -147.315 -66.6772 -18.2124 -137.821 4.57422 PRESSAVG: 2700600 -24.7777 -71.5914 82.5187 -71.5914 26.0957 -39.845 82.5186 -39.845 3.39059 GPRESSAVG: 2700600 -23.7545 -72.3105 80.8261 -72.9838 25.8742 -38.8214 82.871 -40.5638 2.19262 TIMING: 2700600 CPU: 8050.59, 0.00298634/step Wall: 8050.59, 0.00298634/step, 1.90744 hours remaining, 206.531250 MB of memory in use. ENERGY: 2700600 771.0761 2067.0766 1943.7319 104.3168 -206596.3987 17998.5985 0.0000 0.0000 34231.4154 -149480.1833 298.9515 -183711.5988 -149377.8217 299.1553 -20.5617 9.1447 558604.8088 1.5696 1.4374 PRESSURE: 2700800 113.009 -66.7109 -11.197 -66.7113 100.146 123.747 -11.1971 123.747 -70.0091 GPRESSURE: 2700800 98.1245 -91.4798 -20.0022 -16.5692 130.267 129.018 -24.8342 222.226 4.96787 PRESSAVG: 2700800 28.8353 21.5975 11.1583 21.5976 -5.16223 20.007 11.1582 20.0071 -21.466 GPRESSAVG: 2700800 27.6039 21.4962 11.4666 22.4915 -5.23552 20.0842 10.0472 20.584 -19.9004 TIMING: 2700800 CPU: 8051.2, 0.00300827/step Wall: 8051.2, 0.00300827/step, 1.92128 hours remaining, 206.531250 MB of memory in use. ENERGY: 2700800 778.4210 2114.6982 1946.5877 118.1112 -206714.2867 18109.0858 0.0000 0.0000 34015.3339 -149632.0489 297.0644 -183647.3828 -149539.6080 298.3681 47.7155 77.7865 558178.2936 0.7357 0.8227 PRESSURE: 2701000 217.298 104.637 -216.73 104.637 -43.875 -82.8919 -216.731 -82.8933 -86.81 GPRESSURE: 2701000 245.146 82.3955 -224.42 67.2635 -4.06018 -141.847 -269.228 -138.205 -46.6316 PRESSAVG: 2701000 -71.5499 25.3747 13.6403 25.3747 -6.15445 0.563622 13.6403 0.563602 62.5945 GPRESSAVG: 2701000 -71.7917 26.7865 15.155 25.174 -5.95277 -1.81052 14.2712 1.65551 63.0531 TIMING: 2701000 CPU: 8051.8, 0.0030127/step Wall: 8051.8, 0.0030127/step, 1.92394 hours remaining, 206.531250 MB of memory in use. ENERGY: 2701000 712.2123 2091.8311 1976.6201 117.3811 -206144.4108 17661.1048 0.0000 0.0000 34099.5206 -149485.7408 297.7996 -183585.2614 -149383.7929 297.6058 28.8710 64.8180 557856.2888 -5.0366 -4.8971 PRESSURE: 2701200 -88.4333 63.9501 41.4361 63.9505 -235.784 -38.6864 41.4367 -38.6874 -146.837 GPRESSURE: 2701200 -110.561 122.852 39.0768 64.6289 -170.792 1.31644 56.875 -56.625 -94.476 PRESSAVG: 2701200 35.117 8.20643 10.9432 8.20648 -30.211 -2.01347 10.9432 -2.01349 -52.5488 GPRESSAVG: 2701200 34.4621 9.692 7.51544 6.88434 -29.9275 -0.42524 11.7156 -2.25913 -52.2857 TIMING: 2701200 CPU: 8052.4, 0.00299564/step Wall: 8052.4, 0.00299564/step, 1.91288 hours remaining, 206.531250 MB of memory in use. ENERGY: 2701200 741.1840 2100.2795 1958.5427 100.6806 -206523.0873 17817.7467 0.0000 0.0000 34188.1093 -149616.5444 298.5733 -183804.6537 -149521.5622 298.8413 -157.0181 -125.2765 556670.5316 -15.8809 -15.9170 PRESSURE: 2701400 -3.74682 -143.466 -155.834 -143.465 -111.563 112.157 -155.836 112.157 -318.326 GPRESSURE: 2701400 15.1735 -54.9636 -85.3601 -140.237 -80.0348 -30.9167 -115.153 169.178 -269.934 PRESSAVG: 2701400 15.1634 -42.8721 -37.8227 -42.8721 49.5352 23.246 -37.8227 23.2459 -68.6415 GPRESSAVG: 2701400 15.5828 -43.1227 -33.0302 -42.9086 48.7358 20.3527 -40.7913 23.5391 -68.5933 TIMING: 2701400 CPU: 8053, 0.00299469/step Wall: 8053, 0.00299469/step, 1.91211 hours remaining, 206.531250 MB of memory in use. ENERGY: 2701400 746.7509 2132.5798 1903.8521 98.6865 -206072.9101 17550.7882 0.0000 0.0000 34159.9976 -149480.2550 298.3278 -183640.2525 -149384.4811 298.6507 -144.5450 -111.5984 557341.2426 -1.3143 -1.4249 PRESSURE: 2701600 148.704 12.4395 12.0053 12.4407 123.378 -14.3496 12.0051 -14.3483 -165.494 GPRESSURE: 2701600 204.529 -11.1341 20.6551 27.6238 94.3764 64.2705 67.1878 -41.8236 -89.1252 PRESSAVG: 2701600 23.9147 -30.5045 -61.2133 -30.5046 26.5936 -22.8005 -61.2133 -22.8004 -29.9956 GPRESSAVG: 2701600 24.2777 -33.2365 -60.1753 -29.436 27.3816 -20.7675 -62.2891 -23.699 -30.819 TIMING: 2701600 CPU: 8053.6, 0.00302979/step Wall: 8053.6, 0.00302979/step, 1.93435 hours remaining, 206.531250 MB of memory in use. ENERGY: 2701600 693.7802 2067.1651 1950.9578 104.4331 -206459.1994 17955.6424 0.0000 0.0000 34304.2893 -149382.9314 299.5879 -183687.2207 -149287.7763 298.7776 35.5296 69.9269 558119.9970 6.8376 6.9468 PRESSURE: 2701800 154.727 -37.8413 -137.637 -37.8414 183.656 78.1652 -137.637 78.1652 94.0869 GPRESSURE: 2701800 170.134 -42.0338 -109.402 14.0431 221.336 29.6238 -102.841 -16.1096 135.591 PRESSAVG: 2701800 42.8057 -34.8333 -50.2318 -34.8333 -6.58168 -27.8349 -50.2317 -27.8349 6.51208 GPRESSAVG: 2701800 42.3686 -34.4888 -53.6187 -36.1314 -6.34873 -27.4346 -47.7568 -28.9949 7.03187 TIMING: 2701800 CPU: 8054.21, 0.00304547/step Wall: 8054.21, 0.00304547/step, 1.94419 hours remaining, 206.531250 MB of memory in use. ENERGY: 2701800 726.5586 2097.9477 1931.9197 123.4961 -206403.1607 18080.7637 0.0000 0.0000 34293.6497 -149148.8254 299.4950 -183442.4750 -149053.6989 299.6001 144.1567 175.6872 558768.1868 14.2454 14.3506 PRESSURE: 2702000 -386.531 91.8645 -131.945 91.8643 -283.006 -126.205 -131.945 -126.205 84.9546 GPRESSURE: 2702000 -369.767 88.4095 -127.403 85.4571 -235.386 -63.7758 -85.2291 -152.247 111.708 PRESSAVG: 2702000 -67.1751 -20.9845 6.79807 -20.9844 36.594 34.2758 6.79812 34.2758 45.9357 GPRESSAVG: 2702000 -66.9029 -20.4034 8.87808 -19.1091 36.73 33.4102 6.49657 34.359 44.906 TIMING: 2702000 CPU: 8054.81, 0.00300908/step Wall: 8054.81, 0.00300908/step, 1.9208 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: 2702000 724.1417 2110.2430 1968.1928 114.4689 -206030.5169 17607.6708 0.0000 0.0000 34326.7051 -149179.0945 299.7837 -183505.7996 -149086.2766 300.2540 -194.8607 -164.4818 558816.3480 5.1182 4.9110 PRESSURE: 2702200 74.6301 -109.459 26.0367 -109.459 -271.335 -145.63 26.0362 -145.631 -264.034 GPRESSURE: 2702200 153.376 -198.427 76.3049 49.3933 -243.661 -123.185 -50.0976 -96.3701 -283.553 PRESSAVG: 2702200 -35.5579 -9.92879 41.8068 -9.92876 44.3631 -3.16158 41.8068 -3.16161 2.02304 GPRESSAVG: 2702200 -35.0211 -7.83384 40.6673 -11.3608 43.3074 -0.774367 39.9792 -1.56326 2.75407 TIMING: 2702200 CPU: 8055.41, 0.00300123/step Wall: 8055.41, 0.00300123/step, 1.91562 hours remaining, 206.531250 MB of memory in use. ENERGY: 2702200 743.2710 2078.4605 1954.8025 98.5005 -205835.2611 17540.5622 0.0000 0.0000 34137.8518 -149281.8125 298.1344 -183419.6643 -149183.0230 298.7397 -153.5795 -124.6128 558108.7748 3.6094 3.6801 PRESSURE: 2702400 -61.3622 -58.8055 45.9446 -58.8061 -105.89 -0.803461 45.9443 -0.804018 345.091 GPRESSURE: 2702400 15.9704 -131.899 31.0623 -65.8967 -84.2149 -12.8415 24.7242 2.40609 353.857 PRESSAVG: 2702400 36.1371 -62.1852 16.7802 -62.1853 -76.3937 13.0332 16.7802 13.0331 11.1707 GPRESSAVG: 2702400 36.2552 -64.2956 16.6232 -61.8211 -75.6205 13.6828 16.721 10.421 10.5732 TIMING: 2702400 CPU: 8056.02, 0.00301424/step Wall: 8056.02, 0.00301424/step, 1.92376 hours remaining, 206.531250 MB of memory in use. ENERGY: 2702400 757.3761 2096.1812 1931.1224 111.3382 -206062.1805 17760.2775 0.0000 0.0000 34215.7027 -149190.1824 298.8142 -183405.8852 -149098.1329 299.1366 59.2796 95.2040 556833.3257 -9.6953 -9.5974 PRESSURE: 2702600 -256.471 25.2582 -166.193 25.2585 74.7768 -76.0708 -166.194 -76.071 11.4945 GPRESSURE: 2702600 -244.866 55.4919 -81.4098 -59.1867 131.735 -145.683 -209.051 -93.1065 29.3186 PRESSAVG: 2702600 -41.3418 -21.7167 3.50185 -21.7167 23.0202 -39.5001 3.50182 -39.5001 16.1239 GPRESSAVG: 2702600 -41.1797 -18.9592 3.35066 -23.0857 22.8823 -42.0564 4.77642 -37.326 16.5811 TIMING: 2702600 CPU: 8056.62, 0.00302838/step Wall: 8056.62, 0.00302838/step, 1.93261 hours remaining, 206.531250 MB of memory in use. ENERGY: 2702600 797.7305 2101.7834 1921.2198 119.0095 -206169.9248 17800.2277 0.0000 0.0000 34225.6764 -149204.2775 298.9013 -183429.9539 -149110.3190 298.5201 -56.7333 -27.9377 558776.1592 -0.7325 -0.5721 PRESSURE: 2702800 -312.136 157.766 -83.3833 157.766 -206.441 -87.1297 -83.3832 -87.1304 -169.465 GPRESSURE: 2702800 -242.885 154.496 -83.7733 187.632 -202.297 -137.759 -117.044 -36.6618 -142.345 PRESSAVG: 2702800 -26.5776 -45.6272 -10.8199 -45.6272 6.8061 -40.3504 -10.8199 -40.3505 47.393 GPRESSAVG: 2702800 -26.9161 -47.4789 -8.94587 -43.7755 7.40253 -40.8953 -10.3218 -40.3286 47.3692 TIMING: 2702800 CPU: 8057.23, 0.00301718/step Wall: 8057.23, 0.00301718/step, 1.92529 hours remaining, 206.531250 MB of memory in use. ENERGY: 2702800 771.2369 2165.8266 1907.7092 101.9411 -206142.6683 17779.7538 0.0000 0.0000 34171.9149 -149244.2857 298.4318 -183416.2006 -149151.3631 298.5805 -229.3475 -195.8426 561223.3465 9.2072 9.2852 PRESSURE: 2703000 10.3392 69.6375 3.89763 69.6381 -110.668 55.2191 3.89714 55.2173 256.229 GPRESSURE: 2703000 13.2115 4.81985 -85.8991 83.2294 -33.6635 105.758 63.1297 -2.91301 265.775 PRESSAVG: 2703000 2.61504 23.8721 34.2874 23.8719 3.87049 -10.6299 34.2873 -10.6298 20.4909 GPRESSAVG: 2703000 3.38587 24.0286 32.9548 23.3137 3.80363 -9.80341 34.3603 -11.2179 19.61 TIMING: 2703000 CPU: 8057.83, 0.00304129/step Wall: 8057.83, 0.00304129/step, 1.94051 hours remaining, 206.531250 MB of memory in use. ENERGY: 2703000 772.3423 2084.3251 1946.4124 105.2548 -206426.9553 18068.8260 0.0000 0.0000 34144.2746 -149305.5201 298.1904 -183449.7948 -149215.9890 298.6068 51.9667 81.7743 559191.5821 8.9922 8.9331 PRESSURE: 2703200 -159.483 69.8683 -92.6879 69.8686 144.896 14.509 -92.6874 14.509 -107.152 GPRESSURE: 2703200 -154.61 107.891 -81.2166 40.0283 194.649 9.84528 -55.9552 20.5569 -60.4291 PRESSAVG: 2703200 -18.0044 -15.4546 -57.1889 -15.4547 6.52549 -9.28152 -57.189 -9.28147 16.4961 GPRESSAVG: 2703200 -18.6432 -17.032 -57.1199 -13.4349 6.62316 -10.0066 -57.6949 -8.40439 17.2541 TIMING: 2703200 CPU: 8058.44, 0.00302561/step Wall: 8058.44, 0.00302561/step, 1.93034 hours remaining, 206.531250 MB of memory in use. ENERGY: 2703200 750.9004 2080.3195 1952.6758 115.8964 -206263.2069 17754.9507 0.0000 0.0000 34156.1989 -149452.2652 298.2946 -183608.4640 -149357.9525 298.1398 -40.5796 -6.7965 557239.7603 1.6724 1.7447 PRESSURE: 2703400 22.8934 -17.0668 -7.14667 -17.0671 59.5297 -13.2368 -7.14684 -13.2376 -157.19 GPRESSURE: 2703400 45.4602 92.0513 -58.2496 -66.9739 102.296 -84.6099 -31.2036 -51.2245 -125.364 PRESSAVG: 2703400 -13.9855 6.39653 11.8467 6.39654 -24.3934 10.411 11.8467 10.411 19.1972 GPRESSAVG: 2703400 -13.1851 8.23575 12.2023 3.36083 -24.9489 9.56806 9.04653 9.82836 18.7353 TIMING: 2703400 CPU: 8059.04, 0.00302027/step Wall: 8059.04, 0.00302027/step, 1.92677 hours remaining, 206.531250 MB of memory in use. ENERGY: 2703400 750.3807 2096.7978 1953.5885 119.3269 -206456.7437 17963.4059 0.0000 0.0000 34258.4375 -149314.8064 299.1875 -183573.2438 -149225.3710 298.6728 -24.9222 7.4639 557869.8812 -6.3939 -6.4663 PRESSURE: 2703600 -156.601 45.1867 5.02896 45.1861 -125.412 72.7452 5.02933 72.7439 70.9928 GPRESSURE: 2703600 -120.972 -2.97885 -7.01698 21.2655 -70.3417 -62.011 -115.518 128.839 70.2575 PRESSAVG: 2703600 38.0055 39.1337 -28.8269 39.1337 -18.5564 -27.8502 -28.8268 -27.8501 -1.22546 GPRESSAVG: 2703600 37.5935 38.8213 -29.4664 40.0908 -19.2524 -26.8731 -24.9023 -28.469 0.369171 TIMING: 2703600 CPU: 8059.64, 0.00300555/step Wall: 8059.64, 0.00300555/step, 1.91721 hours remaining, 206.531250 MB of memory in use. ENERGY: 2703600 727.6924 2063.3923 1950.0714 110.5942 -206022.2687 17645.6378 0.0000 0.0000 34157.9617 -149366.9189 298.3100 -183524.8806 -149275.3106 298.9191 -70.3400 -40.3520 557273.4827 6.0746 6.2367 PRESSURE: 2703800 314.238 8.10248 56.5305 8.10244 173.828 32.7021 56.5299 32.7027 161.069 GPRESSURE: 2703800 346.267 -48.098 97.8107 89.7326 233.016 53.9152 24.8555 -33.9347 176.679 PRESSAVG: 2703800 7.23966 28.7898 -30.987 28.7899 24.6822 24.7733 -30.9869 24.7733 -2.26204 GPRESSAVG: 2703800 6.11912 27.5336 -31.9636 30.0904 25.5097 25.9617 -29.5657 24.5817 -1.43771 TIMING: 2703800 CPU: 8060.25, 0.00300984/step Wall: 8060.25, 0.00300984/step, 1.91978 hours remaining, 206.531250 MB of memory in use. ENERGY: 2703800 694.8955 2077.6505 1945.2942 107.7507 -206483.2653 17904.0295 0.0000 0.0000 34388.1915 -149365.4534 300.3206 -183753.6449 -149274.2129 298.9123 216.3782 251.9872 555921.6360 9.8866 10.0637 PRESSURE: 2704000 -177.453 5.81031 0.241474 5.80975 -35.915 -43.168 0.240165 -43.1682 -271.56 GPRESSURE: 2704000 -163.646 29.7304 -10.3022 -28.1561 26.6604 -14.3054 -23.0559 12.1938 -250.335 PRESSAVG: 2704000 78.2174 23.2437 -20.5947 23.2436 14.3402 14.157 -20.5948 14.1569 -97.7764 GPRESSAVG: 2704000 78.6757 23.259 -20.453 22.9573 15.234 13.1762 -23.979 15.103 -99.4653 TIMING: 2704000 CPU: 8060.84, 0.00298517/step Wall: 8060.84, 0.00298517/step, 1.90387 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: 2704000 774.2185 2105.9213 1938.3411 109.9206 -206028.1707 17591.8791 0.0000 0.0000 33962.3965 -149545.4936 296.6021 -183507.8901 -149458.1824 299.0428 -161.6426 -129.1068 556626.4462 -1.7396 -1.8518 PRESSURE: 2704200 10.1137 182.142 -113.334 182.141 -162.836 5.72455 -113.333 5.72513 158.547 GPRESSURE: 2704200 29.8114 122.261 -107.513 171.132 -146.301 20.0296 -134.267 -0.274401 223.243 PRESSAVG: 2704200 66.7029 -18.1631 12.5861 -18.1631 5.49859 -12.4611 12.5861 -12.4612 -97.0926 GPRESSAVG: 2704200 67.3865 -19.8641 13.9762 -17.7751 4.19849 -12.7243 13.4689 -12.5796 -96.9125 TIMING: 2704200 CPU: 8061.44, 0.00299041/step Wall: 8061.44, 0.00299041/step, 1.90705 hours remaining, 206.531250 MB of memory in use. ENERGY: 2704200 727.1953 2099.9870 1940.7901 97.9321 -206343.9384 17874.4497 0.0000 0.0000 33931.3840 -149672.2002 296.3312 -183603.5842 -149577.8151 297.7148 1.9419 35.5846 555800.5480 -8.2971 -8.4425 LDB: ============= START OF LOAD BALANCING ============== 8064.87 LDB: ============== END OF LOAD BALANCING =============== 8064.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8064.87 LDB: ============= START OF LOAD BALANCING ============== 8065.17 LDB: Largest compute 4821 load 0.028975 is 24.5% of average load 0.118048 LDB: Average compute 0.001735 is 1.5% of average load 0.118048 LDB: TIME 8065.18 LOAD: AVG 0.118048 MAX 0.203959 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.469 MB LDB: TIME 8065.18 LOAD: AVG 0.118048 MAX 0.203959 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: TIME 8065.18 LOAD: AVG 0.118048 MAX 0.203959 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8065.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8065.18 PRESSURE: 2704400 -0.727531 -24.5148 -87.9145 -24.5151 -199.918 -7.25936 -87.9153 -7.25836 -193.961 GPRESSURE: 2704400 35.7284 -3.50417 -147.598 16.6588 -102.335 75.4004 -60.8283 -101.356 -220.022 PRESSAVG: 2704400 34.1345 -31.0636 45.8313 -31.0636 -21.7493 -16.0795 45.8313 -16.0794 -6.19478 GPRESSAVG: 2704400 33.6908 -27.6879 43.1386 -31.6538 -20.8375 -14.1073 48.8593 -15.3689 -6.53748 TIMING: 2704400 CPU: 8062.05, 0.00305739/step Wall: 8062.05, 0.00305739/step, 1.94959 hours remaining, 207.230469 MB of memory in use. ENERGY: 2704400 720.6680 2104.0288 1952.6465 117.3717 -206277.1624 17520.5067 0.0000 0.0000 34275.0085 -149586.9321 299.3322 -183861.9406 -149494.0190 297.6539 -131.5356 -95.5427 555515.9636 2.0635 2.1053 PRESSURE: 2704600 -60.2748 46.6267 44.6818 46.6265 163.603 6.91474 44.6828 6.9148 -304.421 GPRESSURE: 2704600 -14.8196 50.5486 5.34504 -42.8358 192.788 47.5235 46.3897 -64.3258 -300.178 PRESSAVG: 2704600 -5.5355 34.471 -32.0363 34.4709 38.5476 -10.6982 -32.0363 -10.6983 -37.5117 GPRESSAVG: 2704600 -4.92868 34.0605 -29.1218 33.9445 39.0648 -11.2686 -35.0726 -10.2426 -38.7075 TIMING: 2704600 CPU: 8062.65, 0.0029838/step Wall: 8062.65, 0.0029838/step, 1.90251 hours remaining, 207.230469 MB of memory in use. ENERGY: 2704600 722.4165 2114.5842 1933.8653 106.1217 -205895.0505 17488.5185 0.0000 0.0000 34061.9564 -149467.5880 297.4715 -183529.5444 -149374.8489 298.5755 -67.0307 -40.7367 556562.8513 -1.4999 -1.5238 PRESSURE: 2704800 -290.636 -42.3761 136.26 -42.3757 -397.312 -76.5386 136.259 -76.5405 -44.4986 GPRESSURE: 2704800 -279.623 -28.6234 190.016 -16.3993 -367.233 -4.57851 94.3701 -118.152 1.41398 PRESSAVG: 2704800 -28.6238 47.1143 56.207 47.1142 23.4073 19.9657 56.2069 19.9657 -51.0268 GPRESSAVG: 2704800 -29.5388 46.4861 57.8206 48.5892 22.1298 21.1766 56.2879 17.9017 -49.1149 TIMING: 2704800 CPU: 8063.25, 0.00298832/step Wall: 8063.25, 0.00298832/step, 1.90522 hours remaining, 207.230469 MB of memory in use. ENERGY: 2704800 712.5592 2103.7009 1920.2504 118.4074 -205723.2081 17346.8882 0.0000 0.0000 34062.1160 -149459.2860 297.4729 -183521.4020 -149367.8743 297.9070 -244.1489 -215.1473 557080.3049 -18.7478 -18.8413 PRESSURE: 2705000 -191.977 -190.934 -78.2342 -190.933 11.3371 -9.21483 -78.2333 -9.21593 290.954 GPRESSURE: 2705000 -144.646 -159.685 -93.3349 -170.009 61.3359 28.5306 -15.9825 0.582208 302.243 PRESSAVG: 2705000 -5.11564 8.26079 64.6243 8.26063 -52.1377 -26.1466 64.6242 -26.1465 53.3859 GPRESSAVG: 2705000 -4.15554 9.71224 61.5886 5.88491 -51.6198 -27.561 64.1416 -24.7209 52.4559 TIMING: 2705000 CPU: 8063.84, 0.00298648/step Wall: 8063.84, 0.00298648/step, 1.90388 hours remaining, 207.230469 MB of memory in use. ENERGY: 2705000 719.4607 2081.9501 1959.4227 117.3576 -206340.4476 17712.4862 0.0000 0.0000 34271.0307 -149478.7396 299.2974 -183749.7703 -149378.3928 298.6870 36.7715 72.9777 556445.6746 -1.2892 -1.1065 PRESSURE: 2705200 -23.2146 162.1 205.56 162.1 -141.631 -50.5051 205.559 -50.5062 60.0613 GPRESSURE: 2705200 48.8122 157.312 260.96 144.036 -71.8463 -69.6216 115.349 -60.2528 -1.42512 PRESSAVG: 2705200 21.6705 -27.2646 40.9227 -27.2647 -41.0524 -15.44 40.9228 -15.44 32.9405 GPRESSAVG: 2705200 21.2395 -29.8284 40.5676 -25.0271 -40.9301 -18.8068 41.5027 -14.4669 33.2844 TIMING: 2705200 CPU: 8064.44, 0.0029858/step Wall: 8064.44, 0.0029858/step, 1.90328 hours remaining, 207.230469 MB of memory in use. ENERGY: 2705200 756.6949 2052.6125 1977.8067 110.5096 -206574.8689 17891.1926 0.0000 0.0000 34198.6753 -149587.3772 298.6655 -183786.0525 -149496.3166 298.1192 -34.9280 -8.1531 555040.2992 4.5195 4.5313 PRESSURE: 2705400 -276.176 14.9864 -0.617448 14.985 -338.923 -90.0549 -0.615455 -90.0558 211.119 GPRESSURE: 2705400 -232.112 56.3264 -65.9808 67.6171 -317.579 -96.6406 8.70915 -22.4351 249.906 PRESSAVG: 2705400 -31.2747 50.6286 -23.7949 50.6285 46.2442 -12.2605 -23.7949 -12.2604 18.8112 GPRESSAVG: 2705400 -31.9664 50.1432 -24.2254 50.0654 45.5164 -9.64548 -22.7254 -13.7677 19.6832 TIMING: 2705400 CPU: 8065.04, 0.00298287/step Wall: 8065.04, 0.00298287/step, 1.90125 hours remaining, 207.230469 MB of memory in use. ENERGY: 2705400 751.8537 2101.0179 1936.5011 121.0277 -206540.3969 17706.3563 0.0000 0.0000 34322.1822 -149601.4579 299.7442 -183923.6401 -149500.6367 298.6191 -134.6603 -99.9281 555525.3766 11.2603 11.0777 PRESSURE: 2705600 110.078 86.3847 -71.3167 86.3862 90.9562 -6.57485 -71.3162 -6.57627 -91.7686 GPRESSURE: 2705600 103.838 94.4256 -5.93414 26.2779 144.367 -9.03468 -60.0297 -14.5414 -34.9714 PRESSAVG: 2705600 51.8851 10.1407 -7.21086 10.1407 -99.7779 -41.3355 -7.2108 -41.3353 71.7822 GPRESSAVG: 2705600 52.042 11.0168 -5.63751 10.7822 -99.1287 -42.1025 -9.17029 -39.9978 71.2829 TIMING: 2705600 CPU: 8065.64, 0.00300191/step Wall: 8065.64, 0.00300191/step, 1.91321 hours remaining, 207.230469 MB of memory in use. ENERGY: 2705600 726.3989 2108.0749 1905.0685 103.3886 -206538.3359 17809.3467 0.0000 0.0000 34154.7913 -149731.2670 298.2823 -183886.0583 -149636.0275 298.6725 36.4219 71.0779 556663.9423 7.9631 8.0654 PRESSURE: 2705800 232.642 -134.747 -211.777 -134.747 216.3 -4.39012 -211.777 -4.39052 48.9024 GPRESSURE: 2705800 345.053 -252.393 -220.484 -116.595 219.554 -15.7042 -198.325 46.8346 28.3545 PRESSAVG: 2705800 24.5236 -45.341 26.1127 -45.3409 -67.7969 -11.1743 26.1127 -11.1744 42.9461 GPRESSAVG: 2705800 24.8868 -45.4464 26.1202 -44.8712 -68.4718 -8.88643 26.307 -10.6576 43.2239 TIMING: 2705800 CPU: 8066.24, 0.00300997/step Wall: 8066.24, 0.00300996/step, 1.91818 hours remaining, 207.230469 MB of memory in use. ENERGY: 2705800 724.7946 2036.3218 1911.1094 108.1760 -206880.8866 18222.7373 0.0000 0.0000 33976.8621 -149900.8853 296.7284 -183877.7474 -149802.9386 297.6259 165.9480 197.6538 557153.5513 -0.1091 -0.1204 PRESSURE: 2706000 48.5192 28.5658 144.162 28.5666 -120.998 -262.518 144.161 -262.518 -83.308 GPRESSURE: 2706000 31.2065 25.8844 108.195 17.0666 -55.8456 -279.351 182.955 -137.243 -21.0002 PRESSAVG: 2706000 59.7986 -72.9413 -10.4065 -72.9414 -9.28742 6.22815 -10.4066 6.22821 -53.4202 GPRESSAVG: 2706000 59.4929 -73.574 -9.6362 -72.3342 -8.70269 6.60781 -9.8553 5.48318 -53.2133 TIMING: 2706000 CPU: 8066.84, 0.00299161/step Wall: 8066.84, 0.00299161/step, 1.90632 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: 2706000 776.9084 2061.8868 1917.8192 113.1846 -206668.1047 17818.1356 0.0000 0.0000 34101.0535 -149879.1167 297.8130 -183980.1702 -149793.9714 297.9762 -51.9290 -15.2131 556595.1598 -0.9697 -0.8077 PRESSURE: 2706200 -98.7573 2.9108 72.0846 2.90972 -108.827 44.7236 72.0834 44.7225 -116.835 GPRESSURE: 2706200 -70.0437 105.867 4.54687 -17.3058 -104.155 38.7245 -12.3196 -39.0252 -46.0264 PRESSAVG: 2706200 -17.5227 -55.4674 4.20959 -55.4674 9.45388 5.35697 4.20962 5.35696 -25.7046 GPRESSAVG: 2706200 -18.1868 -52.0654 2.83183 -57.4513 10.0208 3.35085 3.51892 6.08049 -25.1177 TIMING: 2706200 CPU: 8067.44, 0.00301146/step Wall: 8067.44, 0.00301146/step, 1.9188 hours remaining, 207.230469 MB of memory in use. ENERGY: 2706200 743.0203 2088.4329 1920.3768 101.9631 -206535.7199 17877.4919 0.0000 0.0000 34039.1659 -149765.2689 297.2725 -183804.4349 -149665.4692 297.3589 -108.1396 -73.4083 558608.1084 -11.2578 -11.0946 PRESSURE: 2706400 70.9228 77.254 101.466 77.2527 -146.898 69.1848 101.465 69.1851 -9.15704 GPRESSURE: 2706400 77.1111 32.7705 205.128 87.026 -124.35 73.1593 11.955 105.905 62.2712 PRESSAVG: 2706400 27.3893 -25.695 -21.2033 -25.695 -12.3398 -18.3473 -21.2032 -18.3474 6.72424 GPRESSAVG: 2706400 28.4883 -23.5046 -21.2572 -26.2629 -13.5583 -20.8078 -20.2923 -17.3555 6.57555 TIMING: 2706400 CPU: 8068.04, 0.00298958/step Wall: 8068.04, 0.00298958/step, 1.9047 hours remaining, 207.230469 MB of memory in use. ENERGY: 2706400 710.5468 2058.5497 1986.4866 117.4290 -206613.0838 17903.7732 0.0000 0.0000 34102.3027 -149733.9959 297.8239 -183836.2986 -149629.6136 297.9556 -28.3773 5.0108 557411.7669 7.2579 7.1685 PRESSURE: 2706600 -14.1336 -201.758 80.454 -201.757 193.888 -36.919 80.4537 -36.9184 103.174 GPRESSURE: 2706600 93.3515 -282.634 59.4425 -174.299 189.345 -16.5859 51.4733 14.8205 107.66 PRESSAVG: 2706600 8.42924 -40.9332 18.2504 -40.9332 -29.8854 -42.1159 18.2503 -42.1159 39.9203 GPRESSAVG: 2706600 9.05267 -43.7383 18.7924 -42.6751 -28.8657 -39.3906 18.1335 -44.1438 38.7923 TIMING: 2706600 CPU: 8068.63, 0.00297507/step Wall: 8068.63, 0.00297507/step, 1.89528 hours remaining, 207.230469 MB of memory in use. ENERGY: 2706600 772.9526 2011.6608 1934.8094 107.8687 -206549.0834 17959.3585 0.0000 0.0000 34102.7449 -149659.6885 297.8278 -183762.4334 -149566.0324 297.9825 94.3095 130.1189 556100.2022 6.1547 6.3264 PRESSURE: 2706800 -294.5 -20.7807 108.666 -20.7791 -250.968 -105.746 108.666 -105.746 -37.3368 GPRESSURE: 2706800 -281.761 16.6544 137.839 2.72692 -176.848 -129.249 43.7602 -99.1621 -15.0699 PRESSAVG: 2706800 -44.9704 12.5581 50.1221 12.5583 -29.0475 -33.4355 50.1221 -33.4354 -16.0809 GPRESSAVG: 2706800 -45.6723 11.7494 51.016 13.8489 -29.224 -33.7057 49.5928 -32.4285 -15.4576 TIMING: 2706800 CPU: 8069.23, 0.00298741/step Wall: 8069.23, 0.00298741/step, 1.90298 hours remaining, 207.230469 MB of memory in use. ENERGY: 2706800 781.1576 2004.6625 1932.6927 107.5573 -206438.0821 17707.7136 0.0000 0.0000 34257.2689 -149647.0295 299.1772 -183904.2984 -149550.2662 298.1154 -194.2681 -157.8930 558076.3596 -30.0329 -30.1180 PRESSURE: 2707000 -156.787 65.2689 132.305 65.2687 32.1683 -51.3744 132.305 -51.3746 -218.037 GPRESSURE: 2707000 -102.123 82.5722 185.761 22.8799 40.6371 -22.4101 120.742 -47.1797 -184.683 PRESSAVG: 2707000 -33.4195 -37.4914 35.1951 -37.4914 18.8613 -24.9924 35.1951 -24.9924 39.8677 GPRESSAVG: 2707000 -33.547 -36.9035 33.6489 -35.4566 18.6246 -25.2365 36.4237 -25.7787 40.2481 TIMING: 2707000 CPU: 8069.82, 0.00295015/step Wall: 8069.82, 0.00295015/step, 1.87908 hours remaining, 207.230469 MB of memory in use. ENERGY: 2707000 739.5448 2065.8512 1908.7044 114.6916 -206162.1595 17505.6270 0.0000 0.0000 34200.7430 -149626.9975 298.6836 -183827.7405 -149534.5830 298.6464 -114.2186 -82.0563 556528.7827 8.4365 8.4419 PRESSURE: 2707200 -134.504 -116.12 57.8677 -116.12 121.443 27.8197 57.8678 27.8196 -28.8601 GPRESSURE: 2707200 -127.328 -79.8545 75.2828 -150.117 166.446 49.0219 50.1211 12.7401 22.4882 PRESSAVG: 2707200 2.54435 16.8108 20.4231 16.8108 0.509257 -32.9104 20.423 -32.9104 17.3889 GPRESSAVG: 2707200 2.68728 15.1385 22.0187 17.0209 2.51224 -31.6257 19.7182 -31.3233 15.5786 TIMING: 2707200 CPU: 8070.42, 0.00300493/step Wall: 8070.42, 0.00300493/step, 1.9138 hours remaining, 207.230469 MB of memory in use. ENERGY: 2707200 738.0795 2072.6907 1927.5010 100.6117 -206146.4167 17669.3352 0.0000 0.0000 34117.5472 -149520.6514 297.9570 -183638.1985 -149428.9212 297.9870 -13.9738 20.5353 556285.9697 6.8142 6.9260 PRESSURE: 2707400 91.7905 -30.2183 23.5459 -30.2177 50.9209 -90.1498 23.5456 -90.1501 -218.174 GPRESSURE: 2707400 138.474 -26.5165 -4.50501 -92.8351 81.6205 -65.8689 35.4668 -126.995 -184.882 PRESSAVG: 2707400 22.7588 -23.3475 -18.2685 -23.3474 42.6594 -71.4195 -18.2685 -71.4195 -48.5408 GPRESSAVG: 2707400 23.3268 -21.6217 -19.7265 -25.5089 40.8381 -70.4741 -17.4846 -72.635 -46.7705 TIMING: 2707400 CPU: 8071.02, 0.00299354/step Wall: 8071.02, 0.00299354/step, 1.90638 hours remaining, 207.230469 MB of memory in use. ENERGY: 2707400 732.9358 2035.2906 1933.0491 114.4839 -206162.7558 17707.7942 0.0000 0.0000 34158.5431 -149480.6590 298.3151 -183639.2021 -149384.5124 298.4773 -25.1541 11.7374 557637.4042 5.6258 5.7982 PRESSURE: 2707600 243.301 -100.57 93.8677 -100.569 200.255 77.9251 93.8674 77.9238 -214.336 GPRESSURE: 2707600 249.152 -72.7098 36.2209 -120.735 269.952 68.0229 114.128 61.3636 -198.311 PRESSAVG: 2707600 -29.7356 44.4594 -30.3504 44.4595 60.6356 -8.7371 -30.3504 -8.73704 -26.1704 GPRESSAVG: 2707600 -30.3036 41.5882 -29.634 47.772 61.3443 -9.55402 -31.146 -7.65403 -26.0611 TIMING: 2707600 CPU: 8071.62, 0.00298177/step Wall: 8071.62, 0.00298177/step, 1.89872 hours remaining, 207.230469 MB of memory in use. ENERGY: 2707600 715.0358 2064.5625 1911.9486 108.9365 -206327.6668 17975.5577 0.0000 0.0000 34006.9286 -149544.6970 296.9910 -183551.6257 -149448.0912 298.0118 76.4064 106.9310 557185.2877 1.5765 1.6599 PRESSURE: 2707800 -10.2173 -167.42 39.8739 -167.419 -73.623 39.6524 39.8731 39.6542 -57.7413 GPRESSURE: 2707800 24.845 -115.662 126.206 -155.304 -40.0034 -55.4449 22.2931 76.011 -23.0165 PRESSAVG: 2707800 7.38446 -0.934845 -20.027 -0.93482 12.3432 -1.27024 -20.027 -1.27037 -39.782 GPRESSAVG: 2707800 8.45066 1.68062 -17.6882 -1.74905 10.7924 0.802969 -20.6186 -2.4053 -39.0866 TIMING: 2707800 CPU: 8072.21, 0.00296998/step Wall: 8072.21, 0.00296998/step, 1.89105 hours remaining, 207.230469 MB of memory in use. ENERGY: 2707800 794.8013 2074.8348 1923.2841 123.2405 -206514.1177 17854.9545 0.0000 0.0000 34120.4230 -149622.5795 297.9821 -183743.0026 -149533.4552 297.3350 -47.1938 -12.7250 556360.0001 -6.6848 -6.6145 PRESSURE: 2708000 -215.399 164.585 111.17 164.584 -16.2645 88.0759 111.171 88.0744 -144.196 GPRESSURE: 2708000 -150.135 106.634 66.6822 148.989 -22.1565 113.173 72.6461 42.1465 -103.963 PRESSAVG: 2708000 -17.4532 10.9782 23.4022 10.9782 20.6294 43.7798 23.4022 43.7799 31.7727 GPRESSAVG: 2708000 -18.8548 9.01217 20.3391 11.207 21.1984 43.0142 23.7738 43.4237 32.5241 TIMING: 2708000 CPU: 8072.81, 0.00298686/step Wall: 8072.81, 0.00298686/step, 1.90163 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: 2708000 773.6010 2046.8669 1941.7715 121.3608 -206570.2368 17911.1980 0.0000 0.0000 34189.3321 -149586.1065 298.5839 -183775.4387 -149484.9892 298.3784 -125.2864 -92.0846 558162.5570 11.6496 11.6226 PRESSURE: 2708200 -214.695 68.7222 169.116 68.7238 -273.257 61.2725 169.116 61.2713 -128.903 GPRESSURE: 2708200 -187.072 88.1228 152.17 92.3109 -238.867 -17.2432 190.288 22.9116 -98.3602 PRESSAVG: 2708200 -29.9543 51.3134 59.3437 51.3133 -11.1015 19.8268 59.3437 19.8268 13.2646 GPRESSAVG: 2708200 -28.6966 52.057 60.2907 51.0601 -11.1358 18.1459 58.9201 22.1983 12.4486 TIMING: 2708200 CPU: 8073.41, 0.0029988/step Wall: 8073.41, 0.0029988/step, 1.90907 hours remaining, 207.472656 MB of memory in use. ENERGY: 2708200 786.7821 2058.6526 1943.8784 116.5810 -206083.9161 17409.3567 0.0000 0.0000 34295.9342 -149472.7310 299.5149 -183768.6652 -149374.8237 298.4596 -205.6182 -174.7664 556862.4847 -9.2637 -9.1279 LDB: ============= START OF LOAD BALANCING ============== 8076.84 LDB: ============== END OF LOAD BALANCING =============== 8076.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8076.84 LDB: ============= START OF LOAD BALANCING ============== 8077.14 LDB: Largest compute 4821 load 0.028511 is 24.1% of average load 0.118094 LDB: Average compute 0.001731 is 1.5% of average load 0.118094 LDB: TIME 8077.14 LOAD: AVG 0.118094 MAX 0.203271 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.602 MB LDB: TIME 8077.14 LOAD: AVG 0.118094 MAX 0.203271 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.602 MB LDB: TIME 8077.14 LOAD: AVG 0.118094 MAX 0.203271 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.602 MB LDB: ============== END OF LOAD BALANCING =============== 8077.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8077.15 PRESSURE: 2708400 59.5784 -85.4227 -17.0151 -85.4226 -96.6728 -106.846 -17.0164 -106.846 -80.8929 GPRESSURE: 2708400 47.9012 -67.6133 -6.37821 -120.431 -33.8263 -60.6943 -24.8023 -151.885 -42.9013 PRESSAVG: 2708400 55.4654 -26.4726 0.242287 -26.4725 -27.324 14.0045 0.242409 14.0044 -20.6808 GPRESSAVG: 2708400 55.4959 -27.6817 1.43775 -25.2829 -26.7185 15.8258 -1.09718 11.7582 -21.3359 TIMING: 2708400 CPU: 8074.02, 0.00304359/step Wall: 8074.02, 0.00304359/step, 1.93741 hours remaining, 206.566406 MB of memory in use. ENERGY: 2708400 771.9506 2077.7613 1923.2299 104.9643 -206545.4663 17930.6304 0.0000 0.0000 34204.2077 -149532.7221 298.7139 -183736.9297 -149439.9409 298.3360 -39.3291 -9.6088 557782.3216 2.4869 2.4805 PRESSURE: 2708600 9.00049 60.7766 -219.682 60.7761 -163.917 143.66 -219.682 143.658 -187.131 GPRESSURE: 2708600 0.813116 61.4309 -235.986 124.346 -138.173 90.0565 -192.763 190.013 -115.984 PRESSAVG: 2708600 59.6467 -38.3715 -59.3551 -38.3716 -5.62505 22.0569 -59.355 22.0571 -47.2474 GPRESSAVG: 2708600 60.3198 -37.4994 -60.7494 -37.8971 -6.28586 22.2088 -57.2338 24.3022 -47.4273 TIMING: 2708600 CPU: 8074.61, 0.00298108/step Wall: 8074.61, 0.00298108/step, 1.89746 hours remaining, 206.566406 MB of memory in use. ENERGY: 2708600 772.9132 2046.1834 1955.8741 123.3753 -205960.3366 17726.6505 0.0000 0.0000 33984.7210 -149350.6191 296.7970 -183335.3401 -149250.5961 299.0973 -114.0161 -84.4481 560008.3383 2.2581 2.2022 PRESSURE: 2708800 -81.3334 -22.0532 62.7083 -22.0527 -47.8119 97.4521 62.7073 97.4513 -267.223 GPRESSURE: 2708800 -23.2117 3.7418 77.5946 -102.945 -48.4949 9.32984 60.0305 59.517 -234.353 PRESSAVG: 2708800 -2.77288 7.70569 -57.1891 7.70564 28.17 -7.3161 -57.1892 -7.31599 -91.6467 GPRESSAVG: 2708800 -4.61174 6.27325 -58.5481 7.78842 28.958 -7.593 -56.2975 -9.79477 -90.3944 TIMING: 2708800 CPU: 8075.22, 0.00301046/step Wall: 8075.22, 0.00301046/step, 1.91599 hours remaining, 206.566406 MB of memory in use. ENERGY: 2708800 744.0194 2098.6312 1921.1131 119.9157 -205824.2790 17539.2243 0.0000 0.0000 34210.6166 -149190.7587 298.7698 -183401.3753 -149097.0454 298.5130 -132.1226 -102.0199 557871.0841 -22.0832 -22.0161 PRESSURE: 2709000 -53.8818 -59.8106 186.633 -59.8104 155.607 177.499 186.633 177.499 54.6699 GPRESSURE: 2709000 -44.7584 -74.937 164.199 -106.854 246.925 118.976 157.198 189.313 56.7405 PRESSAVG: 2709000 -20.9451 39.1432 22.4028 39.1433 62.9062 77.4239 22.4026 77.4239 -76.945 GPRESSAVG: 2709000 -20.4122 42.3653 22.1567 35.9708 63.6435 76.1298 20.8225 78.9795 -78.6473 TIMING: 2709000 CPU: 8075.82, 0.00303321/step Wall: 8075.82, 0.00303321/step, 1.9303 hours remaining, 206.566406 MB of memory in use. ENERGY: 2709000 754.5135 2104.6879 1931.1048 115.3017 -206283.9609 17906.3615 0.0000 0.0000 34325.8532 -149146.1383 299.7762 -183471.9914 -149049.1494 299.8590 52.1316 86.3022 556440.1401 -11.6613 -11.8053 PRESSURE: 2709200 135.641 -12.6874 168.406 -12.6867 -70.455 -13.9603 168.405 -13.9609 183.372 GPRESSURE: 2709200 211.896 -62.0156 171.869 110.488 -46.295 51.76 200.66 3.64389 174.016 PRESSAVG: 2709200 30.85 8.56618 7.16681 8.56619 57.9773 -4.27198 7.16682 -4.272 -26.3839 GPRESSAVG: 2709200 31.0792 6.61288 8.25622 9.7685 55.9657 -3.67285 7.34746 -5.1576 -24.7235 TIMING: 2709200 CPU: 8076.43, 0.00304277/step Wall: 8076.43, 0.00304277/step, 1.93622 hours remaining, 206.566406 MB of memory in use. ENERGY: 2709200 762.6361 2116.4795 1960.2841 114.8362 -206337.9718 17836.6350 0.0000 0.0000 34535.9494 -149011.1516 301.6110 -183547.1009 -148919.7472 299.9185 82.8528 113.2055 557036.1125 20.8145 20.7738 PRESSURE: 2709400 -138.084 82.3024 32.4098 82.3021 -11.2432 -100.492 32.4105 -100.492 -2.72506 GPRESSURE: 2709400 -130.583 56.9347 42.704 74.8289 -22.0846 -60.6494 -23.3837 -141.452 86.5489 PRESSAVG: 2709400 35.1613 17.049 3.70813 17.049 106.21 32.3218 3.70819 32.3219 -56.3296 GPRESSAVG: 2709400 35.488 18.5913 4.00779 17.4748 107.119 33.6864 3.00059 33.4565 -57.5713 TIMING: 2709400 CPU: 8077.04, 0.00304943/step Wall: 8077.04, 0.00304943/step, 1.94028 hours remaining, 206.566406 MB of memory in use. ENERGY: 2709400 753.0197 2078.9351 1962.0625 121.0678 -205815.6586 17697.4454 0.0000 0.0000 34152.1756 -149050.9525 298.2594 -183203.1281 -148958.4028 300.1458 -50.6842 -22.0394 558868.4393 28.3471 28.3451 PRESSURE: 2709600 -142.396 -113.96 -58.3351 -113.961 -6.0955 42.4814 -58.3349 42.4812 -180.565 GPRESSURE: 2709600 -72.6278 -71.1301 -86.0131 -260.772 9.07206 111.189 -86.2518 32.5824 -169.655 PRESSAVG: 2709600 -5.08667 -1.56366 44.6196 -1.56371 35.0145 5.27534 44.6196 5.27535 -58.3834 GPRESSAVG: 2709600 -5.77222 -1.89484 43.6184 -2.29715 34.9334 3.46068 45.5001 4.00545 -57.2389 TIMING: 2709600 CPU: 8077.65, 0.00303364/step Wall: 8077.65, 0.00303364/step, 1.93007 hours remaining, 206.566406 MB of memory in use. ENERGY: 2709600 758.9907 2076.2532 1921.4823 112.9282 -206094.7347 17816.1915 0.0000 0.0000 34167.6614 -149241.2273 298.3947 -183408.8887 -149142.3527 299.3065 -109.6854 -77.7369 559096.2025 -9.4852 -9.3592 PRESSURE: 2709800 175.368 67.0061 -117.844 67.0068 315.504 40.2436 -117.842 40.2436 -56.7963 GPRESSURE: 2709800 172.124 99.0405 -83.5127 -3.48819 396.31 20.3275 -82.1324 49.1089 -48.4049 PRESSAVG: 2709800 17.2276 -14.4675 26.3762 -14.4676 78.4163 40.9909 26.3764 40.9909 -48.2715 GPRESSAVG: 2709800 17.5797 -13.6549 27.6251 -13.8762 78.3954 40.8052 25.6028 42.0755 -48.2313 TIMING: 2709800 CPU: 8078.26, 0.00303966/step Wall: 8078.26, 0.00303966/step, 1.93373 hours remaining, 206.566406 MB of memory in use. ENERGY: 2709800 743.1731 2103.1413 1929.3841 112.1188 -206641.3033 18159.1918 0.0000 0.0000 34223.8938 -149370.4005 298.8858 -183594.2943 -149274.7066 298.9766 144.6919 173.3432 556306.0292 15.7908 15.9146 PRESSURE: 2710000 29.6208 -146.884 -19.207 -146.885 239.663 -57.9206 -19.2068 -57.9196 247.013 GPRESSURE: 2710000 104.923 -196.084 8.6003 -149.823 279.55 -18.9165 -30.9299 -85.2833 233.666 PRESSAVG: 2710000 18.1202 -22.4025 -34.8793 -22.4025 45.7248 8.90798 -34.8792 8.90802 -57.2232 GPRESSAVG: 2710000 18.6837 -23.3398 -36.0737 -20.9002 46.7501 11.1197 -34.0005 8.92362 -58.7107 TIMING: 2710000 CPU: 8078.86, 0.00302821/step Wall: 8078.86, 0.00302821/step, 1.92628 hours remaining, 206.566406 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: 2710000 759.8066 2054.5289 1910.7381 99.9168 -206888.2269 18228.5019 0.0000 0.0000 34372.0243 -149462.7105 300.1794 -183834.7348 -149361.6396 298.5266 172.0989 206.0463 555707.1732 2.2073 2.2410 PRESSURE: 2710200 24.5337 -8.99563 36.6614 -8.99618 -46.0969 6.67817 36.6614 6.67861 -205.636 GPRESSURE: 2710200 96.0374 -42.4369 -2.87493 50.9734 -52.6847 17.9845 131.524 -67.3992 -173.048 PRESSAVG: 2710200 12.6558 -33.7729 26.1468 -33.7729 -10.3064 49.9132 26.1468 49.9132 -24.4691 GPRESSAVG: 2710200 12.5781 -33.4058 25.0457 -34.7638 -10.8639 49.1667 26.1614 49.026 -23.937 TIMING: 2710200 CPU: 8079.46, 0.00300597/step Wall: 8079.46, 0.00300597/step, 1.91196 hours remaining, 206.566406 MB of memory in use. ENERGY: 2710200 768.7150 2060.4343 1926.4931 109.7845 -206499.5269 17915.3065 0.0000 0.0000 34206.8566 -149511.9369 298.7370 -183718.7935 -149418.7223 298.0083 -75.7332 -43.2317 558073.7960 -7.3732 -7.4076 PRESSURE: 2710400 86.486 -133.122 -46.3086 -133.121 37.215 -62.1511 -46.3091 -62.1508 52.8329 GPRESSURE: 2710400 117.708 -158.555 -133.226 -140.602 62.3583 11.5307 44.1526 -48.9023 70.1165 PRESSAVG: 2710400 10.7398 -24.8606 11.6194 -24.8606 41.9655 15.2258 11.6194 15.2259 -44.5928 GPRESSAVG: 2710400 10.1848 -24.5658 12.0447 -25.2798 42.7837 14.3716 9.52301 18.0675 -44.4788 TIMING: 2710400 CPU: 8080.07, 0.00302408/step Wall: 8080.07, 0.00302408/step, 1.92331 hours remaining, 206.566406 MB of memory in use. ENERGY: 2710400 773.8401 2119.2120 1930.5124 118.9763 -206102.1670 17783.4729 0.0000 0.0000 34206.1006 -149170.0528 298.7304 -183376.1534 -149070.5338 298.8004 58.8446 83.3944 557233.8992 2.7042 2.8299 PRESSURE: 2710600 1.96143 136.292 -69.8894 136.292 54.9933 -9.68433 -69.8893 -9.68412 132.496 GPRESSURE: 2710600 47.458 60.3852 -12.7974 189.594 54.287 -100.214 -181.813 7.7694 175.975 PRESSAVG: 2710600 47.0603 16.3229 2.50659 16.3229 -46.7504 -22.1737 2.50657 -22.1738 -20.78 GPRESSAVG: 2710600 48.0639 15.0539 1.39437 16.8096 -47.8348 -21.0795 3.97513 -24.4212 -20.7407 TIMING: 2710600 CPU: 8080.67, 0.00302615/step Wall: 8080.67, 0.00302615/step, 1.92446 hours remaining, 206.566406 MB of memory in use. ENERGY: 2710600 738.7410 2085.4551 1945.5610 106.7654 -206177.5701 17827.9172 0.0000 0.0000 34233.0348 -149240.0955 298.9656 -183473.1303 -149145.7220 299.1502 63.1502 92.5732 557277.3718 -6.8234 -6.8372 PRESSURE: 2710800 136.179 -64.3684 -218.398 -64.3682 86.3377 -40.7835 -218.397 -40.7845 122.352 GPRESSURE: 2710800 152.403 -71.5639 -286.063 -62.9891 120.897 -96.4028 -213.377 8.13554 177.066 PRESSAVG: 2710800 14.3703 -64.9607 6.01525 -64.9606 -57.5006 -19.7097 6.01521 -19.7097 63.6775 GPRESSAVG: 2710800 13.6949 -64.8797 7.86977 -66.7791 -57.2927 -19.9719 4.88182 -18.1939 63.7066 TIMING: 2710800 CPU: 8081.27, 0.00297433/step Wall: 8081.27, 0.00297433/step, 1.89134 hours remaining, 206.566406 MB of memory in use. ENERGY: 2710800 751.5809 2000.6968 1949.3405 97.3171 -206047.1439 17997.0672 0.0000 0.0000 33976.0885 -149275.0529 296.7216 -183251.1414 -149185.1205 299.8084 114.9563 150.1223 556775.9184 6.8491 6.7029 PRESSURE: 2711000 14.2025 -4.47623 22.4485 -4.47555 -217.458 -111.216 22.4501 -111.216 63.5619 GPRESSURE: 2711000 27.5268 -41.6052 18.9352 -14.7681 -155.255 -98.261 119.735 -178.167 85.519 PRESSAVG: 2711000 -7.36593 5.62017 10.669 5.6201 -27.0517 -40.2145 10.6689 -40.2147 76.2679 GPRESSAVG: 2711000 -7.27249 5.61221 11.4721 7.78508 -27.7234 -40.3087 12.8085 -40.6428 76.8536 TIMING: 2711000 CPU: 8081.86, 0.00298087/step Wall: 8081.86, 0.00298087/step, 1.89534 hours remaining, 206.566406 MB of memory in use. ENERGY: 2711000 763.9074 2082.1075 1922.4338 114.5754 -206062.9281 17710.1215 0.0000 0.0000 34267.9129 -149201.8697 299.2702 -183469.7825 -149106.0023 299.2203 -46.5644 -14.0697 556857.5489 13.9501 13.9526 PRESSURE: 2711200 12.8398 -99.1963 -22.4271 -99.1972 120.453 -6.99009 -22.4275 -6.98879 -243.89 GPRESSURE: 2711200 64.4334 -75.9792 32.1882 -101.889 73.6838 -10.3125 18.7139 -16.8427 -158.29 PRESSAVG: 2711200 16.9232 -22.6376 6.61267 -22.6375 -6.37015 5.25395 6.61276 5.25392 1.49326 GPRESSAVG: 2711200 15.8848 -22.8776 6.48383 -24.1732 -5.40001 5.56804 5.3694 4.98808 1.51918 TIMING: 2711200 CPU: 8082.46, 0.00297526/step Wall: 8082.46, 0.00297526/step, 1.8916 hours remaining, 206.566406 MB of memory in use. ENERGY: 2711200 750.5339 2049.5533 1929.9530 112.0972 -206258.4717 17811.9671 0.0000 0.0000 34323.3503 -149281.0168 299.7544 -183604.3672 -149184.6528 299.0215 -36.8658 -6.7243 556793.7655 4.0154 4.0013 PRESSURE: 2711400 204.688 -19.1127 118.986 -19.1126 303.759 181.039 118.986 181.04 383.733 GPRESSURE: 2711400 249.181 36.0911 173.055 -36.9166 342.51 97.2183 109.71 160.707 401.528 PRESSAVG: 2711400 7.33203 2.77592 17.7673 2.77587 -8.69287 1.32973 17.7672 1.32969 46.7584 GPRESSAVG: 2711400 7.90083 4.45063 18.0294 2.49372 -9.39797 1.21014 18.15 3.22455 47.1795 TIMING: 2711400 CPU: 8083.05, 0.00296329/step Wall: 8083.05, 0.00296329/step, 1.88383 hours remaining, 206.566406 MB of memory in use. ENERGY: 2711400 726.7641 2096.3846 1954.9401 115.2261 -206884.6900 18420.4366 0.0000 0.0000 34298.9652 -149271.9734 299.5414 -183570.9386 -149177.8934 299.2099 297.3935 331.0728 556377.9619 15.1325 15.2275 PRESSURE: 2711600 -153.263 -36.5596 121.312 -36.561 -495.102 -10.5241 121.312 -10.5222 -205.981 GPRESSURE: 2711600 -133.071 -113.426 78.3386 -70.6824 -437.824 -81.5048 67.0285 5.35743 -183.335 PRESSAVG: 2711600 -6.06597 63.8934 -15.889 63.8935 -40.0639 26.9424 -15.889 26.9424 22.3297 GPRESSAVG: 2711600 -5.74021 62.9815 -17.5791 66.4197 -39.716 27.748 -16.0702 25.0864 22.1538 TIMING: 2711600 CPU: 8083.64, 0.00296141/step Wall: 8083.64, 0.00296141/step, 1.88247 hours remaining, 206.566406 MB of memory in use. ENERGY: 2711600 771.7381 2060.0135 1936.6032 111.3048 -205643.0490 17305.7933 0.0000 0.0000 34100.7705 -149356.8256 297.8105 -183457.5961 -149264.7085 299.7452 -284.7818 -251.4099 558724.5156 -7.9334 -7.7675 PRESSURE: 2711800 -273.647 68.5093 -119.642 68.5101 -224.905 182.678 -119.642 182.677 -154.025 GPRESSURE: 2711800 -197.426 -3.83076 -125.615 -16.2242 -239.727 171.228 -57.7365 228.01 -121.13 PRESSAVG: 2711800 77.0589 40.0082 -71.9459 40.0082 -24.2987 47.9581 -71.9459 47.9582 -32.9675 GPRESSAVG: 2711800 77.9455 37.868 -70.5198 39.9379 -23.3453 48.5373 -72.0989 48.5707 -34.7856 TIMING: 2711800 CPU: 8084.24, 0.00297743/step Wall: 8084.24, 0.00297743/step, 1.89249 hours remaining, 206.566406 MB of memory in use. ENERGY: 2711800 741.3069 2038.4227 1956.3732 113.1991 -206232.2281 17628.0632 0.0000 0.0000 34437.3299 -149317.5332 300.7498 -183754.8630 -149219.1278 299.3595 -217.5255 -186.0945 559220.6314 6.5976 6.6049 PRESSURE: 2712000 -426.356 74.0111 233.503 74.0112 -134.724 -109.873 233.503 -109.872 -39.722 GPRESSURE: 2712000 -372.721 38.387 205.098 100.873 -58.3153 2.38146 256.98 -171.959 -77.8492 PRESSAVG: 2712000 20.5836 36.4724 41.5654 36.4723 37.981 77.7488 41.5654 77.7487 -63.7068 GPRESSAVG: 2712000 20.4853 39.5493 42.315 35.9799 38.9698 78.1604 41.2145 77.2576 -64.0355 TIMING: 2712000 CPU: 8084.83, 0.00298041/step Wall: 8084.83, 0.00298041/step, 1.89421 hours remaining, 206.566406 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: 2712000 755.0207 2055.7156 1925.8345 120.1264 -205845.9957 17575.3538 0.0000 0.0000 33984.6151 -149429.3296 296.7961 -183413.9447 -149338.8815 298.1117 -200.2674 -169.6285 559299.9828 -1.7140 -1.5268 PRESSURE: 2712200 -206.03 -51.07 -2.42556 -51.0697 96.3701 51.8319 -2.42632 51.8325 -452.996 GPRESSURE: 2712200 -193.046 -92.7343 -61.8599 -116.859 132.57 96.2804 -20.9225 4.75886 -395.93 PRESSAVG: 2712200 43.9539 30.4532 -3.47705 30.4532 -23.929 36.5455 -3.47712 36.5456 -33.9415 GPRESSAVG: 2712200 43.0975 29.767 -4.90611 28.7054 -24.3992 36.9266 -2.02004 35.3761 -31.8231 TIMING: 2712200 CPU: 8085.43, 0.00296343/step Wall: 8085.43, 0.00296343/step, 1.88326 hours remaining, 206.566406 MB of memory in use. ENERGY: 2712200 752.8411 2075.8264 1922.7466 107.9103 -205990.6576 17785.4995 0.0000 0.0000 34097.0101 -149248.8236 297.7777 -183345.8337 -149161.9183 298.8888 -187.5517 -152.1351 560007.0439 -4.6388 -4.3749 LDB: ============= START OF LOAD BALANCING ============== 8088.86 LDB: ============== END OF LOAD BALANCING =============== 8088.86 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8088.86 LDB: ============= START OF LOAD BALANCING ============== 8089.16 LDB: Largest compute 4821 load 0.027979 is 23.7% of average load 0.118007 LDB: Average compute 0.001729 is 1.5% of average load 0.118007 LDB: TIME 8089.16 LOAD: AVG 0.118007 MAX 0.205349 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.598 MB LDB: TIME 8089.16 LOAD: AVG 0.118007 MAX 0.205349 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.598 MB LDB: TIME 8089.16 LOAD: AVG 0.118007 MAX 0.205349 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.598 MB LDB: ============== END OF LOAD BALANCING =============== 8089.16 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8089.17 PRESSURE: 2712400 -43.1962 -135.513 -107.493 -135.513 -105.557 -140.29 -107.494 -140.289 -356.389 GPRESSURE: 2712400 -1.99807 -119.477 -37.9473 -148.139 -80.7845 -57.7411 -97.8551 -224.934 -321.035 PRESSAVG: 2712400 8.99761 -40.2261 0.133429 -40.2261 44.4891 -14.2953 0.133382 -14.2953 5.04741 GPRESSAVG: 2712400 10.1633 -42.579 2.41188 -37.7769 43.7229 -16.7797 -3.09338 -12.6461 4.9787 TIMING: 2712400 CPU: 8086.04, 0.0030424/step Wall: 8086.04, 0.0030424/step, 1.93328 hours remaining, 205.980469 MB of memory in use. ENERGY: 2712400 749.0295 2100.7128 1935.0763 117.2151 -205996.9680 17614.9356 0.0000 0.0000 34091.8758 -149388.1228 297.7328 -183479.9987 -149290.0113 299.2751 -168.3808 -134.6058 557755.3444 19.5114 19.6216 PRESSURE: 2712600 -62.8305 -40.0214 -73.127 -40.0199 109.939 122.42 -73.1274 122.419 4.2008 GPRESSURE: 2712600 -69.8766 -128.597 -34.6221 -56.7069 153.103 112.337 -46.3907 197.074 64.9792 PRESSAVG: 2712600 26.9638 -9.14013 48.2777 -9.14012 29.798 6.26626 48.2777 6.26624 -93.4623 GPRESSAVG: 2712600 25.8677 -8.46729 45.0086 -10.8122 29.8169 5.44819 51.8707 6.72991 -93.1762 TIMING: 2712600 CPU: 8086.64, 0.00301126/step Wall: 8086.64, 0.00301126/step, 1.91332 hours remaining, 205.980469 MB of memory in use. ENERGY: 2712600 790.3892 2060.9855 1936.2832 117.4299 -206000.3170 17654.9242 0.0000 0.0000 34325.5609 -149114.7441 299.7737 -183440.3050 -149015.4446 299.1341 17.1031 49.4019 556277.9631 -12.2335 -12.4972 PRESSURE: 2712800 85.9886 -55.1211 128.834 -55.1206 -73.4098 32.7913 128.834 32.7917 5.82609 GPRESSURE: 2712800 55.5178 -112.627 88.7987 32.6548 13.9597 39.2027 120.677 -68.571 42.6722 PRESSAVG: 2712800 -19.6739 8.10198 -21.6745 8.10204 41.5889 8.68015 -21.6745 8.68011 14.1793 GPRESSAVG: 2712800 -19.0746 7.79449 -20.7068 8.8345 41.3174 10.6707 -24.4481 8.0756 13.401 TIMING: 2712800 CPU: 8087.24, 0.0030072/step Wall: 8087.24, 0.0030072/step, 1.91057 hours remaining, 205.980469 MB of memory in use. ENERGY: 2712800 743.1599 2075.0839 1941.5246 119.5727 -205947.2406 17717.7712 0.0000 0.0000 34271.1362 -149078.9922 299.2984 -183350.1283 -148985.3790 299.7295 6.1350 37.3832 558358.2185 12.0315 11.8813 PRESSURE: 2713000 45.9684 -18.9594 61.99 -18.9605 95.7113 132.406 61.9904 132.407 46.6203 GPRESSURE: 2713000 42.8112 -58.7098 2.0417 -27.5214 134.773 132.755 42.4361 157.095 103.583 PRESSAVG: 2713000 22.0743 4.93332 38.2652 4.93338 12.3309 -2.23753 38.2653 -2.2375 -30.514 GPRESSAVG: 2713000 23.204 5.08678 38.7111 4.33706 12.0727 -2.12811 38.2745 -1.60694 -31.9763 TIMING: 2713000 CPU: 8087.84, 0.00301125/step Wall: 8087.84, 0.00301125/step, 1.91298 hours remaining, 205.980469 MB of memory in use. ENERGY: 2713000 759.8928 2080.3780 1946.1537 117.2734 -206556.2742 18087.7869 0.0000 0.0000 34630.5419 -148934.2475 302.4371 -183564.7894 -148836.4647 300.2826 62.7667 93.7223 557091.0077 1.2971 1.1001 PRESSURE: 2713200 -174.956 -35.5296 130.417 -35.5292 -137.442 -85.1439 130.418 -85.1418 -208.508 GPRESSURE: 2713200 -156.112 29.4276 68.3097 -38.8112 -99.7654 -54.113 74.8078 -53.1465 -167.566 PRESSAVG: 2713200 -68.5783 0.121079 42.5602 0.121102 64.7133 2.54288 42.5602 2.54288 38.3826 GPRESSAVG: 2713200 -68.5921 0.63311 44.0381 -0.508881 64.792 4.48561 42.7619 -0.648788 38.7602 TIMING: 2713200 CPU: 8088.44, 0.00299829/step Wall: 8088.44, 0.00299829/step, 1.90458 hours remaining, 205.980469 MB of memory in use. ENERGY: 2713200 714.8061 2130.2306 1959.7296 114.9898 -205997.2324 17448.7214 0.0000 0.0000 34327.6927 -149301.0623 299.7923 -183628.7550 -149200.4231 299.7277 -173.6355 -141.1477 557695.9717 11.5058 11.6534 PRESSURE: 2713400 210.948 6.70764 -121.47 6.70568 -67.6168 118.017 -121.469 118.018 81.3508 GPRESSURE: 2713400 245.679 58.7386 -159.943 -56.9513 -4.95952 104.876 -69.0906 202.021 75.5394 PRESSAVG: 2713400 -16.661 -10.4478 19.6427 -10.4478 29.2136 0.693072 19.6426 0.693004 -12.1129 GPRESSAVG: 2713400 -16.5236 -10.9452 16.1262 -10.7172 28.9492 -0.665218 21.524 3.82801 -11.6145 TIMING: 2713400 CPU: 8089.04, 0.00300138/step Wall: 8089.04, 0.00300138/step, 1.90638 hours remaining, 205.980469 MB of memory in use. ENERGY: 2713400 777.7920 2085.0889 1942.9891 127.6972 -206150.2998 17835.8545 0.0000 0.0000 34056.9458 -149323.9323 297.4278 -183380.8781 -149229.7775 298.7073 74.8942 105.4198 556940.1811 0.1465 0.2703 PRESSURE: 2713600 -39.2948 99.204 73.1363 99.2043 275.487 -29.9895 73.1359 -29.9891 -138.368 GPRESSURE: 2713600 -14.5401 127.197 71.3584 54.9866 260.896 -24.4209 48.5839 -15.7126 -56.8684 PRESSAVG: 2713600 31.1233 15.5519 21.898 15.5519 29.2808 3.21825 21.8979 3.2182 -68.4051 GPRESSAVG: 2713600 30.2904 16.0939 22.8884 15.6722 30.0944 3.95497 21.8149 2.09129 -68.7373 TIMING: 2713600 CPU: 8089.64, 0.00297497/step Wall: 8089.64, 0.00297497/step, 1.88944 hours remaining, 205.980469 MB of memory in use. ENERGY: 2713600 757.2789 2092.3340 1939.0305 102.8016 -206209.3748 17791.1993 0.0000 0.0000 34175.2626 -149351.4679 298.4611 -183526.7305 -149255.3268 298.4846 32.6083 63.1624 556465.4454 -2.6670 -2.7842 PRESSURE: 2713800 -157.148 117.949 149.137 117.95 -182.21 -136.658 149.137 -136.659 -285.866 GPRESSURE: 2713800 -107.451 120.492 185.228 154.727 -213.585 5.89763 144.933 -129.602 -204.737 PRESSAVG: 2713800 8.10416 13.1569 34.5855 13.1569 -58.2188 -30.3299 34.5855 -30.3299 38.05 GPRESSAVG: 2713800 8.82737 14.4365 36.0731 13.5766 -59.3059 -34.1813 32.0914 -29.6961 39.0169 TIMING: 2713800 CPU: 8090.23, 0.00298628/step Wall: 8090.23, 0.00298628/step, 1.89646 hours remaining, 205.980469 MB of memory in use. ENERGY: 2713800 790.4247 2100.1572 1923.9791 109.2069 -206156.6153 17639.2307 0.0000 0.0000 34072.7743 -149520.8425 297.5660 -183593.6169 -149423.9718 298.1114 -208.4079 -175.2577 556440.6310 -4.0215 -3.8205 PRESSURE: 2714000 -405.733 31.946 141.218 31.9446 -232.911 43.5895 141.216 43.5895 -275.361 GPRESSURE: 2714000 -346.599 21.1376 53.6177 44.5305 -177.201 -18.7285 178.334 93.7741 -275.9 PRESSAVG: 2714000 27.1703 -1.02855 3.94686 -1.02857 -31.9833 -26.9544 3.94682 -26.9544 25.4639 GPRESSAVG: 2714000 27.177 -1.59026 3.68608 0.594275 -31.1044 -25.9419 6.37794 -25.3172 24.8826 TIMING: 2714000 CPU: 8090.83, 0.00297545/step Wall: 8090.83, 0.00297545/step, 1.88941 hours remaining, 205.980469 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: 2714000 760.1075 2038.1939 1933.8724 107.3638 -205993.5379 17447.4429 0.0000 0.0000 34087.8556 -149618.7018 297.6977 -183706.5574 -149518.4547 298.2240 -304.6685 -266.5668 556491.5059 6.8837 6.9851 PRESSURE: 2714200 113.071 32.3372 27.7766 32.3368 122.67 -108.004 27.7774 -108.004 117.359 GPRESSURE: 2714200 177.452 64.8778 83.3751 56.6181 175.397 -134.599 30.1187 -97.7236 111.032 PRESSAVG: 2714200 18.651 -18.0714 6.37413 -18.0714 -24.1681 -18.8753 6.37401 -18.8753 0.480031 GPRESSAVG: 2714200 17.1426 -18.9541 8.01056 -17.5959 -23.7213 -17.4386 4.31667 -20.6208 1.37143 TIMING: 2714200 CPU: 8091.43, 0.00300815/step Wall: 8091.43, 0.00300815/step, 1.91001 hours remaining, 205.980469 MB of memory in use. ENERGY: 2714200 745.7762 2030.1344 1953.1266 117.4593 -206789.6010 18185.9941 0.0000 0.0000 34131.0590 -149626.0514 298.0750 -183757.1104 -149537.1729 298.5693 117.6999 154.6270 558304.0948 -1.6790 -1.7358 PRESSURE: 2714400 -45.6596 11.4687 -47.6766 11.467 -24.8005 37.902 -47.6764 37.9024 37.0102 GPRESSURE: 2714400 2.8839 50.4045 32.7543 -25.5323 40.6887 -41.748 -34.9079 110.008 19.0394 PRESSAVG: 2714400 11.3125 -51.5223 5.42307 -51.5223 6.32026 11.2729 5.42311 11.2729 -7.24514 GPRESSAVG: 2714400 12.8457 -51.6421 3.7239 -52.7775 4.07727 10.1224 5.37025 12.6079 -6.66957 TIMING: 2714400 CPU: 8092.03, 0.00299161/step Wall: 8092.03, 0.00299161/step, 1.89934 hours remaining, 205.980469 MB of memory in use. ENERGY: 2714400 734.0635 2024.7558 1956.4018 122.2207 -206486.3359 18064.0373 0.0000 0.0000 34098.9782 -149485.8786 297.7949 -183584.8568 -149385.6552 298.3337 -11.1499 20.8707 557653.7508 3.4625 3.4178 PRESSURE: 2714600 -27.8431 -19.3024 -181.213 -19.3025 -152.387 43.2499 -181.212 43.2503 -151.16 GPRESSURE: 2714600 -30.4994 -58.4476 -237.948 -19.6408 -113.725 6.08591 -148.329 47.6255 -90.5476 PRESSAVG: 2714600 -40.2993 -13.5468 24.0303 -13.5469 28.9929 -19.0377 24.0304 -19.0377 -10.9942 GPRESSAVG: 2714600 -40.2871 -13.5801 23.9938 -13.2524 29.8223 -20.5802 23.081 -19.603 -11.5319 TIMING: 2714600 CPU: 8092.63, 0.00299597/step Wall: 8092.63, 0.00299597/step, 1.90194 hours remaining, 205.980469 MB of memory in use. ENERGY: 2714600 750.0311 2143.1081 1933.5434 118.6340 -206237.1489 17769.0473 0.0000 0.0000 34263.5835 -149259.2015 299.2324 -183522.7850 -149162.4804 298.7299 -110.4634 -78.2575 558265.5041 -7.4335 -7.3322 PRESSURE: 2714800 224.627 -10.121 69.2929 -10.1212 314.689 87.7583 69.2912 87.7584 44.8165 GPRESSURE: 2714800 242.443 89.1274 1.1984 -62.7322 321.978 69.7721 112.542 73.0488 121.103 PRESSAVG: 2714800 -50.1702 -3.18074 33.0164 -3.18076 64.5328 -32.4618 33.0164 -32.4617 -15.9051 GPRESSAVG: 2714800 -50.431 -1.22544 33.0069 -3.82824 64.5178 -30.0091 34.4694 -33.1987 -15.7977 TIMING: 2714800 CPU: 8093.23, 0.00299946/step Wall: 8093.23, 0.00299946/step, 1.90399 hours remaining, 205.980469 MB of memory in use. ENERGY: 2714800 757.2934 2130.5614 1953.0624 133.8240 -206549.5367 18048.7766 0.0000 0.0000 34230.5888 -149295.4301 298.9442 -183526.0189 -149204.5656 299.5523 194.7108 228.5078 555450.3950 -0.5142 -0.5703 PRESSURE: 2715000 53.0586 85.902 133.487 85.9014 261.192 -42.267 133.487 -42.2686 -77.5954 GPRESSURE: 2715000 77.3805 106.013 117.205 28.1185 280.765 -34.8351 10.5601 -76.4679 -29.901 PRESSAVG: 2715000 14.2032 -44.6689 41.7424 -44.6688 24.6067 0.188488 41.7425 0.188449 -69.8579 GPRESSAVG: 2715000 13.8536 -46.6993 39.9364 -44.4798 25.6277 1.42885 41.7532 0.400902 -70.6464 TIMING: 2715000 CPU: 8093.83, 0.00299915/step Wall: 8093.83, 0.00299915/step, 1.90363 hours remaining, 205.980469 MB of memory in use. ENERGY: 2715000 719.4199 2136.0584 1948.6300 125.4483 -206166.0420 17964.0474 0.0000 0.0000 34034.9359 -149237.5021 297.2356 -183272.4380 -149145.6633 299.8613 78.8851 109.4148 556941.5992 -10.3493 -10.3884 PRESSURE: 2715200 41.2399 -82.2149 84.6918 -82.2156 -54.8984 -169.329 84.6915 -169.329 -120.956 GPRESSURE: 2715200 39.018 -85.9192 136.129 -52.4219 24.6207 -139.922 37.7995 -147.947 -101.204 PRESSAVG: 2715200 -15.0764 -43.1352 8.31354 -43.1351 70.6106 32.9958 8.31355 32.9958 -11.8056 GPRESSAVG: 2715200 -14.1547 -40.698 8.78723 -45.2704 69.9675 31.8317 8.74827 34.0338 -12.0824 TIMING: 2715200 CPU: 8094.43, 0.00299117/step Wall: 8094.43, 0.00299117/step, 1.89839 hours remaining, 205.980469 MB of memory in use. ENERGY: 2715200 741.4585 2103.5803 1937.7108 118.5465 -206275.5058 17808.2879 0.0000 0.0000 34330.1959 -149235.7258 299.8141 -183565.9217 -149135.3708 300.1805 -44.8714 -12.5219 557208.8511 14.5762 14.5768 PRESSURE: 2715400 -18.4699 91.4164 -12.4449 91.4161 57.1043 -65.555 -12.4447 -65.5541 -21.4366 GPRESSURE: 2715400 -3.00016 -10.8663 11.5006 141.889 137.941 -139.782 -60.6045 36.5182 -11.2276 PRESSAVG: 2715400 -39.6744 -16.9753 -25.9898 -16.9752 43.352 -29.9841 -25.9897 -29.9842 30.5208 GPRESSAVG: 2715400 -41.0253 -18.1892 -25.3292 -16.4049 44.902 -31.0676 -25.8746 -30.7422 30.1663 TIMING: 2715400 CPU: 8095.02, 0.00297733/step Wall: 8095.02, 0.00297733/step, 1.88945 hours remaining, 205.980469 MB of memory in use. ENERGY: 2715400 739.4402 2156.8804 1951.7263 112.1706 -206202.7368 17746.9335 0.0000 0.0000 34357.2805 -149138.3053 300.0507 -183495.5858 -149041.1075 300.3171 5.7326 41.2378 556554.9533 11.3995 11.3476 PRESSURE: 2715600 -99.3288 -66.4581 130.362 -66.4583 36.5305 80.7986 130.363 80.7993 -40.3168 GPRESSURE: 2715600 -76.9229 -18.0368 61.8464 -27.269 56.0514 65.91 137.77 83.4222 10.1568 PRESSAVG: 2715600 -59.235 24.2839 -10.169 24.2838 27.4909 11.2421 -10.169 11.2421 68.9469 GPRESSAVG: 2715600 -58.2992 26.0037 -10.2782 23.8765 25.8814 11.1264 -11.2601 12.8368 69.1344 TIMING: 2715600 CPU: 8095.62, 0.00297879/step Wall: 8095.62, 0.00297879/step, 1.89021 hours remaining, 205.980469 MB of memory in use. ENERGY: 2715600 757.2464 2147.3239 1979.8074 98.7858 -206434.4455 17856.2622 0.0000 0.0000 34416.3584 -149178.6613 300.5666 -183595.0198 -149085.1723 300.0821 -34.3717 -3.5715 556648.3224 12.4009 12.2389 PRESSURE: 2715800 -45.1361 34.2888 -170.743 34.2876 -62.5639 -165.449 -170.741 -165.45 -219.458 GPRESSURE: 2715800 -65.7101 -24.1262 -97.9219 61.308 -19.5496 -216.568 -239.778 -198.791 -151.95 PRESSAVG: 2715800 9.66181 -24.0419 -39.7715 -24.0419 27.7404 -30.5492 -39.7715 -30.5493 -22.2061 GPRESSAVG: 2715800 8.2385 -24.0099 -38.1723 -24.3066 28.0113 -31.1329 -40.2308 -29.9829 -21.4447 TIMING: 2715800 CPU: 8096.21, 0.00295365/step Wall: 8096.21, 0.00295365/step, 1.87409 hours remaining, 205.980469 MB of memory in use. ENERGY: 2715800 720.5985 2157.5861 1943.3849 104.3022 -206270.9176 17727.3307 0.0000 0.0000 34352.0741 -149265.6412 300.0052 -183617.7153 -149166.5973 299.5579 -109.0526 -79.0700 556486.5299 5.0654 4.9350 PRESSURE: 2716000 31.1388 131.6 -44.5136 131.599 -122.325 -169.218 -44.5129 -169.216 -32.6538 GPRESSURE: 2716000 89.0251 147.437 -18.1042 55.8523 -137 -127.427 -94.3071 -182.64 20.1925 PRESSAVG: 2716000 36.7256 3.51096 -26.9466 3.51092 -34.4511 -22.6821 -26.9466 -22.6819 -9.33685 GPRESSAVG: 2716000 36.0038 1.54027 -27.4755 4.36088 -33.587 -20.9414 -24.3496 -24.3637 -9.76087 TIMING: 2716000 CPU: 8096.8, 0.00296778/step Wall: 8096.8, 0.00296778/step, 1.88289 hours remaining, 205.980469 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: 2716000 736.5152 2054.0290 1923.8095 114.3884 -206209.4548 17710.5823 0.0000 0.0000 34338.4838 -149331.6467 299.8865 -183670.1305 -149229.8907 299.0280 -41.2801 -9.2607 556434.3821 -2.3541 -2.4480 PRESSURE: 2716200 -79.2371 -23.9061 229.562 -23.906 -197.162 -83.8521 229.561 -83.8519 -152.197 GPRESSURE: 2716200 -37.8932 -0.2318 115.37 -52.4112 -126.165 -87.9541 217.809 -155.823 -155.781 PRESSAVG: 2716200 16.5054 6.50227 63.3989 6.50231 0.940837 -14.0487 63.3989 -14.0486 -8.20859 GPRESSAVG: 2716200 18.2833 7.68762 63.6719 6.78895 0.0680605 -13.6527 60.2166 -13.9229 -9.40205 TIMING: 2716200 CPU: 8097.39, 0.00295721/step Wall: 8097.39, 0.00295721/step, 1.87602 hours remaining, 205.980469 MB of memory in use. ENERGY: 2716200 739.7621 2088.4930 1929.1418 118.6131 -205927.2646 17522.9740 0.0000 0.0000 34405.2639 -149123.0168 300.4697 -183528.2806 -149025.3521 299.3438 -142.8653 -106.6132 557189.8866 3.0792 2.9831 LDB: ============= START OF LOAD BALANCING ============== 8100.82 LDB: ============== END OF LOAD BALANCING =============== 8100.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8100.82 LDB: ============= START OF LOAD BALANCING ============== 8101.12 LDB: Largest compute 4821 load 0.028154 is 23.9% of average load 0.117949 LDB: Average compute 0.001735 is 1.5% of average load 0.117949 LDB: TIME 8101.12 LOAD: AVG 0.117949 MAX 0.204153 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.656 MB LDB: TIME 8101.12 LOAD: AVG 0.117949 MAX 0.204153 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.859 MB LDB: TIME 8101.12 LOAD: AVG 0.117949 MAX 0.204153 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.859 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8101.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8101.13 PRESSURE: 2716400 300.796 -71.3713 -25.5333 -71.3706 44.659 -11.4128 -25.5332 -11.4137 279.705 GPRESSURE: 2716400 300.112 -107.935 15.3528 -77.8923 96.8037 16.3252 -14.4351 -42.6898 330.698 PRESSAVG: 2716400 -25.4923 1.17834 -26.2248 1.17828 53.3415 -61.4287 -26.2248 -61.4286 1.25827 GPRESSAVG: 2716400 -25.4707 -1.42397 -26.3009 0.813375 52.0043 -61.7718 -25.4313 -59.8422 2.22004 TIMING: 2716400 CPU: 8098, 0.00303715/step Wall: 8098, 0.00303715/step, 1.92656 hours remaining, 205.738281 MB of memory in use. ENERGY: 2716400 709.4015 2064.1000 1963.0236 98.0225 -206077.6719 17790.7590 0.0000 0.0000 34370.2206 -149082.1448 300.1637 -183452.3653 -148987.7768 299.5719 208.3868 242.5378 555736.0491 9.7025 9.5846 PRESSURE: 2716600 564.186 60.3397 14.4124 60.3395 259.704 -156.22 14.4152 -156.221 133.423 GPRESSURE: 2716600 599.379 22.8398 112.826 25.8385 280.23 -123.429 66.476 -109.65 177.664 PRESSAVG: 2716600 12.4568 42.7117 31.4845 42.7116 -12.7651 -8.8639 31.4846 -8.86386 -23.7968 GPRESSAVG: 2716600 11.6157 44.1323 31.1839 44.5009 -11.6331 -8.27057 32.7808 -9.80471 -24.3405 TIMING: 2716600 CPU: 8098.6, 0.00301129/step Wall: 8098.6, 0.00301129/step, 1.91 hours remaining, 206.199219 MB of memory in use. ENERGY: 2716600 719.1287 2048.3593 1914.3791 108.3532 -206515.5749 18089.7980 0.0000 0.0000 34571.6481 -149063.9084 301.9228 -183635.5565 -148962.1510 299.4929 319.1043 352.4244 555410.3393 -8.0350 -8.1193 PRESSURE: 2716800 18.2925 78.6156 -75.4304 78.614 28.5077 -153.12 -75.4298 -153.121 -150.511 GPRESSURE: 2716800 26.7653 60.049 -92.6587 99.3557 68.0334 -98.4155 -99.7444 -111.584 -97.8087 PRESSAVG: 2716800 18.6034 59.7674 3.3455 59.7674 18.5214 -23.6337 3.34547 -23.6337 -58.6415 GPRESSAVG: 2716800 17.0523 61.3592 3.12758 58.1414 19.0623 -24.6725 2.01129 -21.4142 -57.5843 TIMING: 2716800 CPU: 8099.21, 0.00301874/step Wall: 8099.21, 0.00301874/step, 1.91455 hours remaining, 206.199219 MB of memory in use. ENERGY: 2716800 757.4448 2094.5491 1938.0982 119.5542 -205785.2893 17693.4014 0.0000 0.0000 34045.1543 -149137.0872 297.3248 -183182.2415 -149035.6048 298.8606 -34.5702 -1.0034 557572.9521 -7.1722 -7.1566 PRESSURE: 2717000 -266.621 160.526 18.3217 160.526 -38.7836 -117.627 18.3217 -117.627 -34.1735 GPRESSURE: 2717000 -250.269 220.811 54.5377 166.443 21.6237 -89.1671 0.0188411 -88.384 -18.3143 PRESSAVG: 2717000 -67.3477 28.6161 -5.4629 28.6162 49.9062 16.5545 -5.46287 16.5545 38.4425 GPRESSAVG: 2717000 -66.8203 27.5155 -6.21876 29.8997 50.1179 15.7954 -5.79855 14.5097 38.6303 TIMING: 2717000 CPU: 8099.81, 0.00301503/step Wall: 8099.81, 0.00301503/step, 1.91203 hours remaining, 206.199219 MB of memory in use. ENERGY: 2717000 739.4408 2146.5257 1957.0215 118.5090 -205537.3636 17459.3370 0.0000 0.0000 34076.5262 -149040.0033 297.5988 -183116.5295 -148948.1177 299.0935 -113.1928 -82.3198 558443.8973 7.0003 7.3093 PRESSURE: 2717200 -92.5833 8.60382 174.855 8.60342 -160.23 -34.7628 174.855 -34.7619 -71.9533 GPRESSURE: 2717200 -59.2617 -6.21902 114.374 4.84789 -163.81 -66.5224 257.853 -68.0963 9.1843 PRESSAVG: 2717200 -56.8911 55.3555 -3.53771 55.3555 29.7053 -21.6934 -3.53782 -21.6934 19.6104 GPRESSAVG: 2717200 -56.2168 55.7397 -5.50139 53.667 29.6833 -20.6941 -2.4563 -20.6691 18.9726 TIMING: 2717200 CPU: 8100.41, 0.0030003/step Wall: 8100.41, 0.0030003/step, 1.90252 hours remaining, 206.199219 MB of memory in use. ENERGY: 2717200 707.3954 2052.4251 1948.9322 107.8805 -206028.6288 17608.2767 0.0000 0.0000 34356.4930 -149247.2260 300.0438 -183603.7190 -149148.6368 298.7749 -108.2556 -71.2957 558488.7677 -2.5251 -2.5203 PRESSURE: 2717400 78.7317 -87.3783 35.4844 -87.3782 -87.3807 -107.82 35.4842 -107.821 -74.9038 GPRESSURE: 2717400 66.7619 -110.39 -37.7498 -79.0696 11.9744 -67.8771 -19.9043 -159.644 -74.7572 PRESSAVG: 2717400 34.7776 16.9034 54.0654 16.9035 -12.4975 -24.618 54.0652 -24.6181 16.7751 GPRESSAVG: 2717400 34.9403 17.9061 56.7711 16.4196 -13.3256 -23.6742 54.3135 -27.287 17.5721 TIMING: 2717400 CPU: 8101.01, 0.00298034/step Wall: 8101.01, 0.00298034/step, 1.8897 hours remaining, 206.199219 MB of memory in use. ENERGY: 2717400 769.7018 2066.3718 1940.6474 114.0428 -206394.7619 17888.9149 0.0000 0.0000 34318.1104 -149296.9727 299.7086 -183615.0831 -149201.0627 298.9613 -27.8509 1.3264 558233.4377 13.0184 13.0623 PRESSURE: 2717600 -112.329 -35.1608 56.8866 -35.1611 21.2653 86.0161 56.8868 86.0163 -12.144 GPRESSURE: 2717600 -58.5744 -51.2382 151.61 -24.7335 49.1762 8.46525 59.816 165.173 0.652201 PRESSAVG: 2717600 5.25534 -13.2071 30.973 -13.2071 23.3013 -9.15179 30.973 -9.15173 -61.3763 GPRESSAVG: 2717600 5.49441 -15.1789 30.54 -12.3912 23.9527 -8.06249 32.4109 -8.18776 -62.3821 TIMING: 2717600 CPU: 8101.6, 0.00297958/step Wall: 8101.6, 0.00297958/step, 1.88905 hours remaining, 206.199219 MB of memory in use. ENERGY: 2717600 777.8370 2130.1017 1959.7897 110.9504 -206338.1546 17825.3661 0.0000 0.0000 34236.0205 -149298.0892 298.9917 -183534.1097 -149209.3330 298.9096 -34.4026 -2.9153 557829.6961 -10.9399 -10.9783 PRESSURE: 2717800 -143.336 -0.053209 -71.2801 -0.0532365 -80.675 -49.7453 -71.2808 -49.7442 205.295 GPRESSURE: 2717800 -111.244 90.7316 -66.9588 -53.4577 -26.7889 -56.867 -105.011 -74.4403 219.722 PRESSAVG: 2717800 -8.34848 -28.4922 -18.3278 -28.4922 -17.5046 26.2708 -18.3278 26.2708 11.7994 GPRESSAVG: 2717800 -9.1832 -23.9493 -17.8704 -27.4474 -17.6047 26.6831 -21.5191 27.227 12.5452 TIMING: 2717800 CPU: 8102.2, 0.00298452/step Wall: 8102.2, 0.00298452/step, 1.89202 hours remaining, 206.199219 MB of memory in use. ENERGY: 2717800 725.0509 2142.8436 1951.9408 108.9861 -206220.2873 17747.6976 0.0000 0.0000 34222.6909 -149321.0775 298.8753 -183543.7684 -149228.0905 299.0448 -6.2387 27.2296 558011.6557 -4.6846 -4.7475 PRESSURE: 2718000 84.6275 -104.7 73.9395 -104.701 114.477 87.9424 73.9395 87.9433 3.11812 GPRESSURE: 2718000 109.715 -28.9993 -6.20128 -177.689 73.4587 126.497 154.293 98.1676 113.506 PRESSAVG: 2718000 7.9674 20.0386 51.404 20.0385 25.1453 39.239 51.404 39.2389 -44.7716 GPRESSAVG: 2718000 7.75574 17.1794 48.6088 20.0932 25.0422 38.3775 53.2083 39.2831 -44.2656 TIMING: 2718000 CPU: 8102.8, 0.00300042/step Wall: 8102.8, 0.00300042/step, 1.90193 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: 2718000 747.8557 2120.1814 1966.2861 112.4178 -206189.4350 17885.5064 0.0000 0.0000 34037.2128 -149319.9747 297.2554 -183357.1875 -149228.2773 298.8229 67.4075 98.8931 556993.2208 -3.8863 -3.8225 PRESSURE: 2718200 255.198 -109.642 86.4055 -109.642 23.7415 201.1 86.4051 201.099 12.2326 GPRESSURE: 2718200 247.729 -138.679 77.0039 -24.8247 127.92 170.6 94.769 230.713 10.2623 PRESSAVG: 2718200 62.2947 -28.4823 -41.701 -28.4822 -66.0822 41.3819 -41.701 41.3819 12.2981 GPRESSAVG: 2718200 61.5275 -30.5006 -42.2943 -26.523 -65.3142 42.1184 -41.4036 41.8694 11.6711 TIMING: 2718200 CPU: 8103.4, 0.00299846/step Wall: 8103.4, 0.00299846/step, 1.90053 hours remaining, 206.199219 MB of memory in use. ENERGY: 2718200 765.9556 2076.5895 1972.4426 114.5994 -206451.1849 18007.7867 0.0000 0.0000 34240.5861 -149273.2250 299.0316 -183513.8111 -149172.4559 299.0062 97.0572 128.6369 557157.2016 2.8369 2.6281 PRESSURE: 2718400 76.9895 93.4949 -13.8003 93.4945 33.1239 -100.724 -13.8 -100.723 -3.33868 GPRESSURE: 2718400 175.231 87.5194 -17.8749 106.33 12.4136 -198.075 -76.0026 -104.886 9.18184 PRESSAVG: 2718400 26.004 16.2086 -22.4633 16.2086 -4.6959 -7.38064 -22.4633 -7.38062 -53.9095 GPRESSAVG: 2718400 27.6019 17.2511 -20.294 15.7235 -5.77084 -8.83781 -22.2276 -7.19401 -54.0142 TIMING: 2718400 CPU: 8104, 0.00301789/step Wall: 8104, 0.00301789/step, 1.91267 hours remaining, 206.199219 MB of memory in use. ENERGY: 2718400 754.1259 2092.8663 1945.3584 114.0139 -205890.5637 17620.3541 0.0000 0.0000 34097.8547 -149265.9905 297.7850 -183363.8452 -149161.8787 298.9945 35.5916 65.6090 556611.6810 -10.8671 -10.7277 PRESSURE: 2718600 261.146 41.8439 -59.1643 41.8444 134.621 192.978 -59.1629 192.978 175.015 GPRESSURE: 2718600 343.936 -60.3819 -66.2538 92.3366 151.01 263.593 -77.8583 117.345 175.169 PRESSAVG: 2718600 -3.16683 -11.4685 -74.563 -11.4686 19.1497 1.01875 -74.5631 1.01883 -16.7048 GPRESSAVG: 2718600 -3.44104 -10.6634 -72.3614 -13.8636 18.4482 2.22621 -77.0099 0.071867 -15.8649 TIMING: 2718600 CPU: 8104.6, 0.0030044/step Wall: 8104.6, 0.0030044/step, 1.90395 hours remaining, 206.199219 MB of memory in use. ENERGY: 2718600 748.1484 2083.6448 1921.5119 111.5881 -206899.0784 18254.9646 0.0000 0.0000 34372.6487 -149406.5719 300.1849 -183779.2206 -149301.8594 298.4025 190.2606 223.3716 555366.1456 -0.2406 -0.2859 PRESSURE: 2718800 -96.7299 -112.183 131.004 -112.182 31.2541 77.0169 131.005 77.0177 247.38 GPRESSURE: 2718800 -30.8401 -157.731 151.241 -105.632 85.485 79.1712 86.15 92.267 237.025 PRESSAVG: 2718800 14.6395 -55.9033 -55.5284 -55.9033 -11.5673 37.2678 -55.5285 37.2678 -2.02185 GPRESSAVG: 2718800 15.1761 -56.6248 -55.2316 -56.2108 -12.1301 36.55 -56.4078 38.717 -2.46688 TIMING: 2718800 CPU: 8105.2, 0.00296952/step Wall: 8105.2, 0.00296952/step, 1.88169 hours remaining, 206.199219 MB of memory in use. ENERGY: 2718800 760.0618 2096.5811 1940.9932 129.1382 -206134.6677 17743.0295 0.0000 0.0000 34202.3927 -149262.4713 298.6980 -183464.8640 -149163.0183 298.9193 60.6346 97.2231 556542.3914 0.3501 0.1930 PRESSURE: 2719000 171.765 19.0044 -133.437 19.0045 56.2976 72.7035 -133.436 72.7028 -10.1998 GPRESSURE: 2719000 192.17 26.0791 -172.779 13.6235 109.519 12.2074 -71.5346 122.739 4.93472 PRESSAVG: 2719000 7.10461 -58.153 11.6733 -58.153 -10.4156 -9.46195 11.6734 -9.46199 23.782 GPRESSAVG: 2719000 7.33192 -56.3169 9.94129 -57.1866 -9.67314 -10.0747 12.5953 -10.7813 23.1042 TIMING: 2719000 CPU: 8105.79, 0.00295027/step Wall: 8105.79, 0.00295027/step, 1.86932 hours remaining, 206.199219 MB of memory in use. ENERGY: 2719000 743.8594 2069.5295 1923.9668 111.6279 -206406.9200 17915.1333 0.0000 0.0000 34298.9542 -149343.8489 299.5413 -183642.8032 -149243.4932 298.5820 72.6209 102.2078 557495.7981 6.8237 6.9210 PRESSURE: 2719200 -490.293 42.6765 151.334 42.6775 -280.911 11.4732 151.333 11.4722 71.6633 GPRESSURE: 2719200 -462.827 2.4312 149.956 76.2619 -192.926 22.9307 75.4876 -13.0818 49.1747 PRESSAVG: 2719200 4.80103 19.6928 2.315 19.6928 30.7491 -42.1485 2.31509 -42.1484 -6.55386 GPRESSAVG: 2719200 2.74219 17.4591 2.83481 19.6827 31.4601 -42.2393 2.90719 -40.6635 -5.61574 TIMING: 2719200 CPU: 8106.38, 0.00297066/step Wall: 8106.38, 0.00297066/step, 1.88208 hours remaining, 206.199219 MB of memory in use. ENERGY: 2719200 752.8579 2044.1802 1935.3412 116.7744 -206064.5057 17573.0369 0.0000 0.0000 34344.4392 -149297.8760 299.9385 -183642.3152 -149199.3077 298.7983 -233.1802 -202.1926 557941.0282 9.6654 9.5289 PRESSURE: 2719400 133.382 -139.525 -27.1331 -139.525 59.9885 -64.0981 -27.1327 -64.098 -9.29594 GPRESSURE: 2719400 141.163 -44.4795 -74.2419 -126.322 147.846 82.5686 -20.9639 -54.0524 -9.50432 PRESSAVG: 2719400 -35.5592 -16.7931 -41.1934 -16.7931 13.0597 -42.5241 -41.1935 -42.5241 7.33811 GPRESSAVG: 2719400 -34.7304 -16.89 -41.5997 -17.2515 12.933 -41.4051 -41.8073 -45.7856 6.0884 TIMING: 2719400 CPU: 8106.98, 0.00300858/step Wall: 8106.98, 0.00300858/step, 1.90593 hours remaining, 206.199219 MB of memory in use. ENERGY: 2719400 771.4286 2124.0954 1923.9252 120.3137 -206415.2999 17828.5907 0.0000 0.0000 34481.8247 -149165.1216 301.1384 -183646.9463 -149063.7487 299.2110 61.3582 93.1682 555327.3884 -5.0538 -5.2364 PRESSURE: 2719600 -188.783 -14.3247 -1.37785 -14.3253 -158.324 58.1364 -1.37858 58.1362 -65.5737 GPRESSURE: 2719600 -177.193 71.6459 -33.9113 -95.7862 -88.9516 107.986 5.7859 30.0343 -40.9177 PRESSAVG: 2719600 11.1488 35.8043 -25.8306 35.8044 36.1572 15.5588 -25.8306 15.5588 -27.9982 GPRESSAVG: 2719600 10.6292 37.4894 -23.7934 37.2378 37.4259 15.4552 -25.3258 18.0503 -28.707 TIMING: 2719600 CPU: 8107.58, 0.00296403/step Wall: 8107.58, 0.00296403/step, 1.87755 hours remaining, 206.199219 MB of memory in use. ENERGY: 2719600 756.9470 2066.7707 1917.3626 131.3953 -205950.6565 17676.0127 0.0000 0.0000 34246.8330 -149155.3353 299.0861 -183402.1683 -149058.7790 300.1263 -137.5603 -102.3540 559895.7395 6.4359 6.4493 PRESSURE: 2719800 81.1005 21.4994 -1.74259 21.5 -61.7339 18.2856 -1.74183 18.2871 174.507 GPRESSURE: 2719800 110.864 -8.79984 79.2208 43.1076 -35.1457 27.2772 -46.7226 25.8068 212.682 PRESSAVG: 2719800 29.4194 -46.856 28.1733 -46.8559 -50.1306 -14.0641 28.1733 -14.064 56.5738 GPRESSAVG: 2719800 28.3388 -47.1313 25.7221 -48.8138 -50.2583 -14.7605 28.1862 -12.8884 57.2764 TIMING: 2719800 CPU: 8108.17, 0.00298763/step Wall: 8108.17, 0.00298763/step, 1.89233 hours remaining, 206.199219 MB of memory in use. ENERGY: 2719800 777.1690 2116.8147 1952.0012 108.2991 -206209.1210 17967.8672 0.0000 0.0000 34218.4724 -149068.4973 298.8384 -183286.9697 -148974.7833 299.6041 64.6244 96.1336 557378.4652 11.9542 11.7856 PRESSURE: 2720000 -48.5212 33.3884 -9.79156 33.3898 171.34 118.424 -9.79071 118.424 -4.04748 GPRESSURE: 2720000 6.20819 -30.4818 101.649 55.2154 154.131 66.5487 -50.3439 215.839 55.2438 PRESSAVG: 2720000 -20.7264 -35.573 6.14928 -35.5731 -17.4318 -43.2597 6.14931 -43.2598 61.6732 GPRESSAVG: 2720000 -19.4083 -34.177 5.61896 -35.8207 -18.7511 -43.4899 6.95772 -43.8048 62.1488 TIMING: 2720000 CPU: 8108.77, 0.00299427/step Wall: 8108.77, 0.00299427/step, 1.89637 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: 2720000 717.8922 2061.4488 1951.4742 109.7761 -206200.1456 17749.3466 0.0000 0.0000 34489.8064 -149120.4013 301.2081 -183610.2077 -149028.6754 299.5767 39.5906 71.8611 558095.3117 7.8383 7.9965 PRESSURE: 2720200 102.62 191.725 -63.2656 191.724 -181.248 76.7028 -63.2644 76.7017 -78.7864 GPRESSURE: 2720200 176.782 156.065 -17.9852 162.112 -129.246 -13.0339 -44.6549 62.4927 -109.634 PRESSAVG: 2720200 -61.4804 -0.46062 16.3621 -0.460619 30.0239 32.5546 16.3623 32.5547 -5.23045 GPRESSAVG: 2720200 -62.6678 -1.25796 15.5426 0.357055 31.3573 33.2427 15.8345 29.92 -5.03958 TIMING: 2720200 CPU: 8109.37, 0.00300007/step Wall: 8109.37, 0.00300007/step, 1.89988 hours remaining, 206.199219 MB of memory in use. ENERGY: 2720200 754.4168 2076.4115 1937.3184 103.2234 -206091.6376 17819.2975 0.0000 0.0000 34211.7245 -149189.2456 298.7795 -183400.9701 -149099.6824 299.1501 -52.4712 -20.6991 558954.1668 -12.2290 -12.1167 LDB: ============= START OF LOAD BALANCING ============== 8112.8 LDB: ============== END OF LOAD BALANCING =============== 8112.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8112.8 LDB: ============= START OF LOAD BALANCING ============== 8113.1 LDB: Largest compute 4821 load 0.028580 is 24.2% of average load 0.118051 LDB: Average compute 0.001731 is 1.5% of average load 0.118051 LDB: TIME 8113.1 LOAD: AVG 0.118051 MAX 0.20632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 8113.1 LOAD: AVG 0.118051 MAX 0.20632 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.512 MB LDB: TIME 8113.1 LOAD: AVG 0.118051 MAX 0.20632 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.512 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8113.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8113.11 PRESSURE: 2720400 -17.1562 -30.7776 63.615 -30.7784 -15.8531 -106.101 63.6133 -106.102 112.389 GPRESSURE: 2720400 5.98393 7.82036 114.214 -74.8568 15.5316 -112.717 34.9657 -64.7709 147.473 PRESSAVG: 2720400 3.93814 13.9111 -30.5784 13.9111 -23.295 -9.70734 -30.5785 -9.70741 52.1518 GPRESSAVG: 2720400 5.66803 13.9681 -27.0562 12.3782 -24.3722 -9.54923 -32.7444 -10.7729 52.0584 TIMING: 2720400 CPU: 8109.98, 0.00304729/step Wall: 8109.98, 0.00304729/step, 1.92961 hours remaining, 205.226562 MB of memory in use. ENERGY: 2720400 741.5452 2147.6657 1958.5433 122.3265 -206531.7228 17981.4351 0.0000 0.0000 34368.4374 -149211.7695 300.1481 -183580.2069 -149115.5295 299.7530 26.4600 56.3296 557258.7324 10.9316 11.1181 PRESSURE: 2720600 -10.1209 -7.7138 -65.4312 -7.71276 -95.6813 39.7032 -65.43 39.7039 -223.32 GPRESSURE: 2720600 -18.1571 52.4565 14.8511 -3.35533 -47.67 57.3222 -47.2246 12.392 -150.215 PRESSAVG: 2720600 -17.1347 -7.95368 16.0062 -7.95365 -0.860797 36.5936 16.0063 36.5936 8.40363 GPRESSAVG: 2720600 -18.1377 -10.4051 14.4052 -4.50524 0.00618618 38.4204 17.992 38.9098 8.5059 TIMING: 2720600 CPU: 8110.58, 0.00300878/step Wall: 8110.58, 0.00300878/step, 1.90506 hours remaining, 205.425781 MB of memory in use. ENERGY: 2720600 795.7941 2046.9695 1952.8691 106.2232 -205904.8550 17660.4002 0.0000 0.0000 34302.6699 -149039.9289 299.5737 -183342.5988 -148953.9943 300.6421 -109.7073 -72.0141 558958.7422 -3.1973 -3.2085 PRESSURE: 2720800 92.95 113.385 204.582 113.384 94.553 -3.86274 204.581 -3.86408 64.4894 GPRESSURE: 2720800 118.988 134.196 135.457 121.736 206.222 -0.685193 170.697 34.3467 37.767 PRESSAVG: 2720800 -20.8984 -20.1436 4.28696 -20.1435 5.1158 -12.234 4.28699 -12.2339 34.2107 GPRESSAVG: 2720800 -20.8379 -18.2527 6.9597 -22.499 4.18543 -13.5246 2.36602 -11.315 34.6452 TIMING: 2720800 CPU: 8111.19, 0.00303572/step Wall: 8111.19, 0.00303572/step, 1.92195 hours remaining, 205.425781 MB of memory in use. ENERGY: 2720800 765.1490 2128.3644 1966.5183 110.0940 -206106.8315 17784.6244 0.0000 0.0000 34229.1011 -149122.9803 298.9313 -183352.0814 -149025.6049 299.5754 83.9975 120.9925 557461.9388 6.1427 5.9976 PRESSURE: 2721000 -16.3246 -13.5414 -45.9161 -13.5401 41.2203 5.35901 -45.916 5.35794 -174.382 GPRESSURE: 2721000 13.3412 48.655 -54.4389 58.2255 49.654 61.8195 -39.3375 -31.1573 -109.761 PRESSAVG: 2721000 -34.203 -12.5139 32.4 -12.5138 24.5802 6.32076 32.3999 6.32082 63.1747 GPRESSAVG: 2721000 -34.3941 -12.7495 29.8728 -12.6783 24.9985 5.48749 34.0399 7.13753 63.4523 TIMING: 2721000 CPU: 8111.79, 0.00299464/step Wall: 8111.79, 0.00299464/step, 1.89578 hours remaining, 205.425781 MB of memory in use. ENERGY: 2721000 758.0517 2144.0867 1935.4547 114.1166 -205710.4191 17656.1941 0.0000 0.0000 34159.5522 -148942.9631 298.3239 -183102.5153 -148850.5152 299.9693 -49.8288 -15.5885 558189.6556 17.8506 18.0189 PRESSURE: 2721200 -8.57954 -92.2733 9.32159 -92.2729 156.692 64.5035 9.32156 64.5039 56.3312 GPRESSURE: 2721200 34.2827 -145.991 -28.9018 -59.2511 181.435 124.128 -18.7823 36.0161 74.496 PRESSAVG: 2721200 47.799 -18.8298 4.03198 -18.8298 4.21698 65.2972 4.03194 65.2972 -82.4408 GPRESSAVG: 2721200 48.0455 -19.5302 1.91116 -15.9023 3.74773 66.3025 3.84595 64.6906 -82.094 TIMING: 2721200 CPU: 8112.39, 0.00300945/step Wall: 8112.39, 0.00300945/step, 1.90498 hours remaining, 205.425781 MB of memory in use. ENERGY: 2721200 764.3484 2076.3147 1946.1703 112.9226 -206218.0516 17826.7935 0.0000 0.0000 34640.7944 -148850.7076 302.5267 -183491.5021 -148753.0784 300.0693 68.1480 96.7378 556747.1959 -10.1416 -10.1003 PRESSURE: 2721400 309.969 -25.1969 -19.6329 -25.1984 74.5649 93.5636 -19.633 93.5625 -147.88 GPRESSURE: 2721400 315.172 -1.99391 -49.4022 -20.1322 104.128 44.5963 -77.2211 79.812 -85.0019 PRESSAVG: 2721400 53.0605 11.1236 -77.0746 11.1237 24.5342 52.3546 -77.0746 52.3546 -74.7947 GPRESSAVG: 2721400 52.9277 12.0268 -75.1916 8.51442 26.0411 51.1013 -77.6396 51.9471 -76.1782 TIMING: 2721400 CPU: 8112.98, 0.0029699/step Wall: 8112.98, 0.0029699/step, 1.87978 hours remaining, 205.425781 MB of memory in use. ENERGY: 2721400 774.2798 2097.2906 1960.4314 107.5163 -205996.3484 17873.0536 0.0000 0.0000 34420.6587 -148763.1179 300.6042 -183183.7766 -148669.5820 301.3197 78.8845 111.4328 557936.9415 0.9333 0.9302 PRESSURE: 2721600 17.1613 -34.089 -9.40134 -34.0892 -138.138 66.3148 -9.40153 66.3144 -40.9726 GPRESSURE: 2721600 72.4269 -114.89 -79.8379 3.61922 -136.227 20.8771 -21.8168 135.907 -16.469 PRESSAVG: 2721600 37.3648 -22.9083 -55.8639 -22.9083 17.2317 14.5103 -55.8639 14.5102 -11.4222 GPRESSAVG: 2721600 38.414 -22.6978 -58.1786 -22.0508 15.9713 16.7683 -55.5317 13.8809 -11.5073 TIMING: 2721600 CPU: 8113.58, 0.00298118/step Wall: 8113.58, 0.00298118/step, 1.88676 hours remaining, 205.425781 MB of memory in use. ENERGY: 2721600 736.6966 2154.0248 1937.9930 128.2681 -205995.6224 17665.5644 0.0000 0.0000 34218.6821 -149154.3934 298.8403 -183373.0755 -149052.0541 299.6610 -53.9833 -26.7563 558562.6434 14.3914 14.2927 PRESSURE: 2721800 151.333 36.4895 -29.2303 36.4899 -149.284 52.4702 -29.2295 52.4699 -65.3805 GPRESSURE: 2721800 189.327 45.1725 34.3863 40.8918 -133.476 69.0475 -68.5483 11.6753 -32.5043 PRESSAVG: 2721800 1.55731 22.1625 -3.7226 22.1625 -12.9877 67.9537 -3.72263 67.9537 37.5004 GPRESSAVG: 2721800 0.581891 20.1382 -0.410424 19.8514 -12.398 65.8517 -3.61638 68.1381 37.9943 TIMING: 2721800 CPU: 8114.18, 0.00300313/step Wall: 8114.18, 0.00300313/step, 1.90048 hours remaining, 205.425781 MB of memory in use. ENERGY: 2721800 768.5853 2106.1635 1940.0573 118.8117 -206169.7557 17807.1852 0.0000 0.0000 34275.3052 -149153.6475 299.3348 -183428.9527 -149059.9358 300.0162 -21.1107 7.7821 557201.9007 8.6900 8.7261 PRESSURE: 2722000 -20.5509 8.58088 -70.0798 8.58145 99.3147 -104.47 -70.0791 -104.469 -44.2282 GPRESSURE: 2722000 20.4618 26.5759 -95.5318 -41.3579 128.407 -56.7644 -112.043 -122.325 -17.2612 PRESSAVG: 2722000 9.25625 -42.0188 -29.6254 -42.0189 -1.63281 15.4127 -29.6254 15.4126 9.86387 GPRESSAVG: 2722000 9.48271 -41.0354 -31.3455 -40.8423 -1.43269 14.3697 -29.0047 16.7334 9.72388 TIMING: 2722000 CPU: 8114.79, 0.00303503/step Wall: 8114.79, 0.00303503/step, 1.9205 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: 2722000 715.4822 2140.6576 1909.7301 115.6395 -206098.3078 17774.8387 0.0000 0.0000 34190.0414 -149251.9184 298.5901 -183441.9597 -149161.0538 299.4287 11.5118 43.8691 557947.8085 5.8291 5.9246 PRESSURE: 2722200 -52.7514 91.1219 83.4232 91.1213 -45.6795 -54.1983 83.4234 -54.1991 -109.043 GPRESSURE: 2722200 -42.6523 26.378 29.5918 69.4072 20.1535 -68.2043 132.928 -27.0448 -88.4542 PRESSAVG: 2722200 17.8722 22.3047 -0.662408 22.3046 13.7859 50.5973 -0.662435 50.5972 -36.1344 GPRESSAVG: 2722200 18.0879 22.5773 0.0626028 21.8993 14.0837 51.7573 -1.604 50.0804 -36.3431 TIMING: 2722200 CPU: 8115.39, 0.00300762/step Wall: 8115.39, 0.00300762/step, 1.90299 hours remaining, 205.425781 MB of memory in use. ENERGY: 2722200 754.0898 2114.6485 1946.6654 108.5481 -206298.4008 17816.4554 0.0000 0.0000 34239.8865 -149318.1071 299.0254 -183557.9936 -149224.1274 298.8395 -69.1579 -36.9843 557993.3618 -1.4921 -1.3905 PRESSURE: 2722400 -286.945 -32.9273 126.735 -32.9265 -74.2893 -61.4364 126.735 -61.4365 -137.399 GPRESSURE: 2722400 -260.648 48.1204 41.1435 -87.743 -74.7339 -33.4707 108.17 -51.4807 -70.5755 PRESSAVG: 2722400 -76.1953 -0.913757 3.13493 -0.913611 41.8689 26.442 3.13491 26.4421 -18.8388 GPRESSAVG: 2722400 -75.9009 -2.37315 1.24258 -0.136782 40.93 25.2977 4.17274 27.5294 -18.254 TIMING: 2722400 CPU: 8115.99, 0.00297961/step Wall: 8115.99, 0.00297961/step, 1.8851 hours remaining, 205.425781 MB of memory in use. ENERGY: 2722400 763.4223 2060.8327 1938.2441 107.7160 -206123.8749 17664.0328 0.0000 0.0000 34267.8863 -149321.7407 299.2700 -183589.6270 -149232.0022 298.7529 -166.2110 -135.3192 557608.3903 -17.7217 -17.7416 PRESSURE: 2722600 -243.992 -96.5962 100.311 -96.5955 -57.5196 135.137 100.311 135.136 -15.442 GPRESSURE: 2722600 -220.559 -64.0559 132.085 -84.3491 -39.3383 113.021 75.0687 58.1205 40.0787 PRESSAVG: 2722600 -57.4104 -20.8055 21.4366 -20.8055 49.3669 -36.8558 21.4366 -36.8557 43.0193 GPRESSAVG: 2722600 -57.1705 -22.7571 23.1461 -18.9817 49.322 -33.8318 20.0229 -40.7063 42.6133 TIMING: 2722600 CPU: 8116.58, 0.00296346/step Wall: 8116.58, 0.00296346/step, 1.87472 hours remaining, 205.425781 MB of memory in use. ENERGY: 2722600 766.2745 2067.4060 1946.5913 123.7601 -206108.0494 17781.6926 0.0000 0.0000 34230.8322 -149191.4927 298.9464 -183422.3249 -149099.1748 299.4084 -105.6513 -73.2730 558152.0138 11.6586 11.5883 PRESSURE: 2722800 -220.801 -51.0326 -32.7386 -51.0327 -5.95197 -101.506 -32.7373 -101.505 -143.39 GPRESSURE: 2722800 -174.54 -38.9223 -14.8285 -142.94 26.7288 -94.0211 6.92052 -168.152 -123.104 PRESSAVG: 2722800 -65.2205 -38.0641 14.8658 -38.0642 -19.5705 -35.6764 14.8658 -35.6764 3.68427 GPRESSAVG: 2722800 -65.1536 -34.6068 15.6843 -39.2619 -19.202 -36.8996 16.7022 -34.0673 3.0184 TIMING: 2722800 CPU: 8117.17, 0.00297795/step Wall: 8117.17, 0.00297795/step, 1.88372 hours remaining, 205.425781 MB of memory in use. ENERGY: 2722800 759.2775 2094.0194 1926.6450 107.2578 -206011.2966 17689.4042 0.0000 0.0000 34211.7234 -149222.9693 298.7795 -183434.6927 -149125.3188 299.5251 -123.3809 -90.3051 557726.7991 -27.0356 -27.1124 PRESSURE: 2723000 -25.512 32.4261 -56.6648 32.4253 -4.40972 -200.674 -56.6656 -200.672 24.5858 GPRESSURE: 2723000 35.7144 -15.2389 -0.176476 104.361 27.2004 -193.576 -25.7206 -245.003 35.8414 PRESSAVG: 2723000 -41.2503 -76.7341 -37.6709 -76.7341 31.1279 1.51749 -37.6707 1.51757 26.7013 GPRESSAVG: 2723000 -41.4226 -78.2684 -38.3351 -77.2108 30.7943 2.0203 -38.9764 0.103749 27.1676 TIMING: 2723000 CPU: 8117.77, 0.00299848/step Wall: 8117.77, 0.00299847/step, 1.89654 hours remaining, 205.425781 MB of memory in use. ENERGY: 2723000 754.1120 2076.2075 1962.7230 124.3163 -206489.8594 18046.5273 0.0000 0.0000 34197.5555 -149328.4179 298.6558 -183525.9734 -149225.9846 298.9922 -1.7786 32.9187 558156.7139 5.5263 5.5131 PRESSURE: 2723200 -143.916 33.5788 120.194 33.5778 -201.823 72.1746 120.194 72.1746 -308.71 GPRESSURE: 2723200 -89.8868 37.767 135.839 -76.5141 -232.089 27.7451 94.5189 76.6168 -235.267 PRESSAVG: 2723200 62.8288 -10.4727 -24.0859 -10.4728 75.4974 -1.55932 -24.0859 -1.55929 -49.504 GPRESSAVG: 2723200 62.7076 -11.163 -23.7266 -9.1799 75.54 -3.31996 -24.1338 -0.3706 -49.859 TIMING: 2723200 CPU: 8118.37, 0.00300358/step Wall: 8118.37, 0.00300358/step, 1.8996 hours remaining, 205.425781 MB of memory in use. ENERGY: 2723200 783.0550 2049.5733 1961.9851 116.3567 -206146.3220 17611.5261 0.0000 0.0000 34456.4825 -149167.3433 300.9170 -183623.8258 -149071.0617 299.3012 -218.1500 -185.7475 557069.8301 29.6074 29.4629 PRESSURE: 2723400 -284.996 114.882 -211.318 114.882 -140.894 -73.4363 -211.318 -73.4366 -24.3878 GPRESSURE: 2723400 -273.497 15.0522 -195.326 115.424 -85.6634 28.7213 -158.879 -141.637 -6.17213 PRESSAVG: 2723400 -33.5501 -29.3114 -30.807 -29.3114 23.3685 1.52492 -30.8071 1.52483 -28.6887 GPRESSAVG: 2723400 -33.961 -29.6539 -32.0508 -29.4077 24.0541 3.6717 -29.986 1.83706 -28.2904 TIMING: 2723400 CPU: 8118.98, 0.0030062/step Wall: 8118.98, 0.0030062/step, 1.90109 hours remaining, 205.425781 MB of memory in use. ENERGY: 2723400 751.6418 2085.7772 1958.0391 122.3993 -205979.6168 17720.5227 0.0000 0.0000 34184.1548 -149157.0820 298.5387 -183341.2367 -149062.4242 299.4665 -150.0925 -121.7775 559635.3585 -12.9568 -12.7324 PRESSURE: 2723600 57.2893 21.0687 -100.414 21.0688 207.127 -23.8489 -100.414 -23.8497 -59.8244 GPRESSURE: 2723600 103.269 -34.5291 -118.443 28.0943 210.353 91.3026 -201.401 27.4987 -14.8458 PRESSAVG: 2723600 0.0805392 -7.73922 -35.2977 -7.7392 24.0374 34.4268 -35.2977 34.4267 -30.5526 GPRESSAVG: 2723600 1.36944 -5.52194 -34.9956 -7.83089 23.266 32.7236 -34.778 35.9432 -30.5196 TIMING: 2723600 CPU: 8119.58, 0.00301494/step Wall: 8119.58, 0.00301494/step, 1.90645 hours remaining, 205.425781 MB of memory in use. ENERGY: 2723600 743.2769 2110.8311 1948.8352 104.4044 -206294.2556 17942.5087 0.0000 0.0000 34304.0972 -149140.3021 299.5862 -183444.3993 -149047.8494 298.6552 68.1973 99.5922 557074.3414 -2.1449 -1.9614 PRESSURE: 2723800 -163.554 160.909 58.3908 160.909 206.93 24.3651 58.3901 24.3655 297.122 GPRESSURE: 2723800 -116.856 159.091 68.9756 153.93 210.042 12.626 38.1899 3.14729 335.197 PRESSAVG: 2723800 -3.4858 56.5825 -20.855 56.5825 3.13526 -5.86278 -20.855 -5.86291 9.30418 GPRESSAVG: 2723800 -3.22468 55.1741 -21.1286 55.7623 2.9325 -4.32089 -21.8284 -6.85808 9.25319 TIMING: 2723800 CPU: 8120.18, 0.0030018/step Wall: 8120.18, 0.0030018/step, 1.89797 hours remaining, 205.425781 MB of memory in use. ENERGY: 2723800 729.2341 2096.7986 1951.9496 131.7134 -206168.7024 18047.9910 0.0000 0.0000 34139.0507 -149071.9649 298.1448 -183211.0157 -148983.2098 299.0069 113.4995 142.7944 558577.6860 2.9845 2.9870 PRESSURE: 2724000 -213.755 -98.7078 205.814 -98.7071 -18.842 -46.1322 205.814 -46.1322 -181.073 GPRESSURE: 2724000 -189.564 -13.3247 188.996 -108.45 -18.5887 -130.853 162.483 -33.3294 -109.64 PRESSAVG: 2724000 33.8115 -38.3327 11.7094 -38.3327 25.3784 17.9569 11.7094 17.957 -37.9341 GPRESSAVG: 2724000 33.0086 -37.4779 12.2213 -38.2103 25.7195 16.5322 12.4093 19.0964 -37.2652 TIMING: 2724000 CPU: 8120.78, 0.00300404/step Wall: 8120.78, 0.00300404/step, 1.89922 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: 2724000 749.2379 2069.3663 1928.9967 102.5693 -206004.7563 17607.7790 0.0000 0.0000 34428.6729 -149118.1343 300.6742 -183546.8072 -149019.8700 298.6570 -137.8899 -105.9311 558053.3294 7.0853 7.1543 PRESSURE: 2724200 -43.5043 4.92525 21.8546 4.92553 -170.712 244.557 21.8547 244.558 29.596 GPRESSURE: 2724200 32.9706 24.1215 -29.9627 3.85521 -158.845 198.191 4.03254 327.374 41.6754 PRESSAVG: 2724200 6.57792 -0.754748 13.3274 -0.754717 -0.616384 12.9344 13.3275 12.9344 6.42998 GPRESSAVG: 2724200 7.61419 0.229267 14.261 -1.47116 -1.26233 13.0932 14.0765 12.6858 5.42756 TIMING: 2724200 CPU: 8121.38, 0.00299198/step Wall: 8121.38, 0.00299198/step, 1.89143 hours remaining, 205.425781 MB of memory in use. ENERGY: 2724200 766.0454 2090.9743 1907.5278 104.2292 -206155.0524 17791.1479 0.0000 0.0000 34404.9694 -149090.1584 300.4672 -183495.1279 -148996.2654 299.7087 -61.5401 -28.0663 558307.9891 4.1305 3.9265 LDB: ============= START OF LOAD BALANCING ============== 8124.81 LDB: ============== END OF LOAD BALANCING =============== 8124.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8124.81 LDB: ============= START OF LOAD BALANCING ============== 8125.11 LDB: Largest compute 4821 load 0.028479 is 24.1% of average load 0.118012 LDB: Average compute 0.001739 is 1.5% of average load 0.118012 LDB: TIME 8125.11 LOAD: AVG 0.118012 MAX 0.205659 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 8125.11 LOAD: AVG 0.118012 MAX 0.205659 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: TIME 8125.11 LOAD: AVG 0.118012 MAX 0.205659 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: ============== END OF LOAD BALANCING =============== 8125.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8125.12 PRESSURE: 2724400 -66.0923 -147.871 -61.314 -147.872 77.0737 31.7746 -61.3129 31.7765 0.685234 GPRESSURE: 2724400 -38.5384 -132.185 -3.39961 -156.393 120.05 68.7069 -143.325 -9.09412 20.665 PRESSAVG: 2724400 -87.8428 -48.1301 32.6157 -48.1301 20.9244 23.0372 32.6157 23.0374 65.3605 GPRESSAVG: 2724400 -89.1158 -48.9278 31.0273 -48.1507 22.1535 22.6675 32.2597 21.9673 65.0365 TIMING: 2724400 CPU: 8121.99, 0.00304728/step Wall: 8121.99, 0.00304728/step, 1.92622 hours remaining, 208.050781 MB of memory in use. ENERGY: 2724400 721.9356 2074.3006 1950.3855 108.6662 -205904.7868 17690.2824 0.0000 0.0000 34327.3442 -149031.8723 299.7892 -183359.2165 -148933.6010 299.9149 3.8889 34.0588 557913.5512 -0.5193 -0.6419 PRESSURE: 2724600 -178.67 -55.7042 106.625 -55.705 79.9622 15.5506 106.624 15.5497 33.4319 GPRESSURE: 2724600 -83.3118 -64.2791 104.674 4.91818 152.111 3.97157 118.012 -1.65456 -40.5838 PRESSAVG: 2724600 10.3902 -11.3974 -26.1177 -11.3972 -13.5725 5.28261 -26.1177 5.28255 71.4466 GPRESSAVG: 2724600 11.5759 -12.6599 -25.4563 -10.4356 -13.8968 5.98598 -26.9275 6.03132 70.6644 TIMING: 2724600 CPU: 8122.59, 0.00301405/step Wall: 8122.59, 0.00301405/step, 1.90505 hours remaining, 208.253906 MB of memory in use. ENERGY: 2724600 760.8018 2004.8301 1936.8331 102.3648 -206049.8333 17817.9642 0.0000 0.0000 34266.7618 -149160.2774 299.2602 -183427.0392 -149054.1378 299.1485 -21.7585 9.4050 556835.3696 22.7548 22.7812 PRESSURE: 2724800 -148.482 -129.77 36.4905 -129.77 -134.86 -11.6432 36.4902 -11.6419 -234.285 GPRESSURE: 2724800 -109.652 -119.464 60.4493 -169.915 -125.711 -81.4322 81.5838 -4.24991 -173.576 PRESSAVG: 2724800 -9.81391 51.5388 30.9872 51.5388 29.5682 34.6848 30.9871 34.6847 -36.0215 GPRESSAVG: 2724800 -10.7094 51.3173 29.7521 51.4044 30.7883 33.5888 31.2313 35.5342 -36.5366 TIMING: 2724800 CPU: 8123.19, 0.0030147/step Wall: 8123.19, 0.0030147/step, 1.90529 hours remaining, 208.253906 MB of memory in use. ENERGY: 2724800 773.6123 2137.3941 1924.2300 104.6467 -205851.6479 17498.5646 0.0000 0.0000 34202.2683 -149210.9318 298.6969 -183413.2001 -149118.1839 299.5181 -172.5425 -136.3131 557980.9264 -5.4224 -5.4859 PRESSURE: 2725000 272.846 76.1722 -102.972 76.1702 2.57417 353.314 -102.972 353.314 42.4314 GPRESSURE: 2725000 327.632 -29.9712 -98.1427 118.573 11.3013 375.788 -126.178 288.516 89.8431 PRESSAVG: 2725000 26.1742 -38.7802 -45.0097 -38.7802 26.0514 59.4514 -45.0098 59.4513 -53.7206 GPRESSAVG: 2725000 24.931 -37.722 -44.4733 -39.6418 26.2157 56.4446 -45.1442 61.1593 -52.9624 TIMING: 2725000 CPU: 8123.79, 0.00298676/step Wall: 8123.79, 0.00298676/step, 1.88747 hours remaining, 208.253906 MB of memory in use. ENERGY: 2725000 799.0898 2120.8857 1933.5982 112.1806 -206641.7961 18069.4247 0.0000 0.0000 34378.1006 -149228.5164 300.2325 -183606.6170 -149132.1259 299.5180 105.9504 142.9255 556506.2312 -0.4983 -0.6052 PRESSURE: 2725200 8.49402 -50.3574 -47.519 -50.3581 -18.5734 -2.09698 -47.5191 -2.09649 46.4266 GPRESSURE: 2725200 25.199 -37.7701 13.0252 -33.7215 63.7743 -79.0986 -146.342 56.3668 48.3097 PRESSAVG: 2725200 -22.3887 34.8638 11.7361 34.8638 -2.65773 50.0081 11.7359 50.008 27.9881 GPRESSAVG: 2725200 -23.0598 33.7137 11.5289 33.6154 -2.59711 52.7204 11.5235 49.4981 27.8283 TIMING: 2725200 CPU: 8124.39, 0.00299395/step Wall: 8124.39, 0.00299395/step, 1.89184 hours remaining, 208.253906 MB of memory in use. ENERGY: 2725200 742.6097 2074.9458 1946.5771 110.6451 -206080.1284 17912.3364 0.0000 0.0000 34201.7342 -149091.2801 298.6923 -183293.0143 -148994.2528 299.2887 12.1157 45.7610 558212.9100 0.9805 0.7238 PRESSURE: 2725400 114.906 -50.4245 20.0398 -50.4243 144.386 200.36 20.0396 200.359 97.5691 GPRESSURE: 2725400 111.226 -8.28839 28.7845 -158.737 207.664 83.1501 52.3647 296.87 133.635 PRESSAVG: 2725400 7.82775 19.7224 -16.6454 19.7224 -23.0025 58.5326 -16.6455 58.5327 13.3693 GPRESSAVG: 2725400 7.70595 19.8583 -16.9366 20.0017 -23.9028 58.8634 -16.5989 56.8011 13.959 TIMING: 2725400 CPU: 8124.99, 0.00299131/step Wall: 8124.99, 0.00299131/step, 1.89001 hours remaining, 208.253906 MB of memory in use. ENERGY: 2725400 752.6382 2122.4491 1935.9206 109.0743 -206084.5031 17887.5261 0.0000 0.0000 34209.4384 -149067.4565 298.7595 -183276.8948 -148973.6165 299.4388 118.9538 150.8415 558344.4722 -0.6018 -0.7459 PRESSURE: 2725600 87.7357 -2.18026 -13.6205 -2.17984 -115.786 -35.0523 -13.6213 -35.0529 288.229 GPRESSURE: 2725600 151.182 15.0768 32.5579 -101.055 -80.1507 13.0806 -111.06 -74.0714 283.498 PRESSAVG: 2725600 45.499 -23.0724 23.7878 -23.0723 -36.3474 12.1139 23.7879 12.1138 -1.39946 GPRESSAVG: 2725600 47.0067 -24.5429 23.1681 -22.2478 -37.9024 12.6793 24.2228 14.3768 -1.40462 TIMING: 2725600 CPU: 8125.59, 0.00302813/step Wall: 8125.59, 0.00302813/step, 1.9131 hours remaining, 208.253906 MB of memory in use. ENERGY: 2725600 739.5043 2078.7931 1946.7125 121.7341 -206097.5468 17849.5533 0.0000 0.0000 34518.1858 -148843.0637 301.4559 -183361.2495 -148743.3556 299.8570 86.7261 118.1766 557416.3351 2.5841 2.5666 PRESSURE: 2725800 73.6922 13.0148 -130.105 13.0144 -37.8374 -112.997 -130.106 -112.997 192.85 GPRESSURE: 2725800 121.342 -1.2344 -161.97 81.8068 -27.44 -137.886 -80.401 -124.125 223.378 PRESSAVG: 2725800 -15.9464 -23.1342 13.3507 -23.1342 -68.0075 1.23379 13.3506 1.23384 66.4525 GPRESSAVG: 2725800 -16.4469 -23.1135 12.1156 -21.8599 -67.7816 -2.13283 13.4443 0.895269 66.4921 TIMING: 2725800 CPU: 8126.2, 0.00300647/step Wall: 8126.2, 0.00300647/step, 1.89926 hours remaining, 208.253906 MB of memory in use. ENERGY: 2725800 731.8102 2071.6839 1961.6261 125.5516 -205916.4816 17700.8773 0.0000 0.0000 34284.2263 -149040.7061 299.4127 -183324.9324 -148950.5079 299.1600 76.2349 105.7600 556326.6442 -5.8338 -5.9122 PRESSURE: 2726000 -339.712 -0.873912 67.1281 -0.873061 -299.412 166.284 67.1277 166.284 -227.455 GPRESSURE: 2726000 -335.84 -41.2889 108.653 -23.0944 -208.696 126.311 91.337 136.894 -221.699 PRESSAVG: 2726000 -1.63345 4.33054 -26.2541 4.33052 -81.2906 -58.9867 -26.2541 -58.9866 77.9402 GPRESSAVG: 2726000 -1.70568 5.33803 -23.5945 1.25565 -80.5409 -55.4705 -26.433 -61.7952 76.5874 TIMING: 2726000 CPU: 8126.8, 0.00300693/step Wall: 8126.8, 0.00300693/step, 1.89938 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: 2726000 745.6806 2060.9568 1945.5373 104.1598 -205620.7828 17282.3284 0.0000 0.0000 34447.0436 -149035.0763 300.8346 -183482.1200 -148942.9124 299.6135 -288.8596 -255.4115 557494.6957 -1.6613 -1.8864 PRESSURE: 2726200 -63.1519 -24.7879 -130.532 -24.7872 -178.016 95.1147 -130.532 95.1148 -97.3199 GPRESSURE: 2726200 -31.3664 8.01357 -120.17 -61.9654 -183.987 114.424 -42.9644 137.982 -20.5716 PRESSAVG: 2726200 -6.27856 -24.0728 -18.7811 -24.0727 -62.8503 4.33502 -18.781 4.33499 33.2696 GPRESSAVG: 2726200 -6.99747 -23.8195 -18.3631 -24.6078 -61.6131 1.45936 -18.9455 6.64057 33.586 TIMING: 2726200 CPU: 8127.39, 0.00298174/step Wall: 8127.39, 0.00298174/step, 1.8833 hours remaining, 208.253906 MB of memory in use. ENERGY: 2726200 750.4173 2065.8431 1946.5420 97.7628 -205673.7588 17671.5797 0.0000 0.0000 33948.6426 -149192.9715 296.4819 -183141.6141 -149098.3059 299.1810 -112.8292 -78.6416 558456.9083 -11.9531 -11.6749 PRESSURE: 2726400 -110.08 -170.122 -124.426 -170.122 -72.4463 -16.9454 -124.426 -16.9447 50.0854 GPRESSURE: 2726400 -85.2046 -288.804 -117.855 -72.5368 -71.6455 -59.1466 -175.226 -27.2979 105.05 PRESSAVG: 2726400 70.6302 -8.66673 -47.0495 -8.66664 -24.7071 36.9629 -47.0495 36.9629 -7.48825 GPRESSAVG: 2726400 71.4696 -9.14097 -48.4746 -7.01738 -25.9572 39.5106 -45.7998 35.9041 -6.98796 TIMING: 2726400 CPU: 8128, 0.00301525/step Wall: 8128, 0.00301525/step, 1.9043 hours remaining, 208.253906 MB of memory in use. ENERGY: 2726400 736.3854 2030.6054 1954.2726 116.2483 -205955.7470 17726.1359 0.0000 0.0000 33939.5443 -149452.5552 296.4025 -183392.0994 -149358.5728 298.5085 -44.1468 -17.2667 557304.0564 12.8116 12.8415 PRESSURE: 2726600 -81.4156 59.1223 -84.315 59.121 -175.077 4.75253 -84.3145 4.75192 -282.226 GPRESSURE: 2726600 -93.0852 29.0991 -112.701 48.3477 -150.456 -34.8225 2.82071 -21.3941 -194.182 PRESSAVG: 2726600 -1.37889 -67.8938 -24.9328 -67.8938 -20.5351 15.346 -24.9327 15.3461 23.2791 GPRESSAVG: 2726600 -1.08057 -68.4486 -26.1339 -67.6749 -20.6046 14.3532 -25.4204 16.4079 23.1022 TIMING: 2726600 CPU: 8128.59, 0.00298224/step Wall: 8128.59, 0.00298224/step, 1.88328 hours remaining, 208.253906 MB of memory in use. ENERGY: 2726600 741.6929 2055.5708 1950.3933 123.2174 -206107.9400 17595.5425 0.0000 0.0000 34415.4755 -149226.0477 300.5589 -183641.5231 -149125.7533 298.7350 -179.5731 -145.9077 557803.4661 0.4550 0.4724 PRESSURE: 2726800 -90.9771 165.929 27.8412 165.929 -135.927 91.9255 27.8416 91.9243 -66.751 GPRESSURE: 2726800 -99.6307 161.644 45.6407 64.6593 -113.731 84.9914 57.6635 44.2912 18.6403 PRESSAVG: 2726800 3.55671 18.1318 3.50562 18.1319 48.3563 -0.12701 3.50562 -0.12698 -50.7414 GPRESSAVG: 2726800 2.79723 18.8729 4.5282 16.4734 47.7268 -1.2916 2.24129 -0.895972 -49.6683 TIMING: 2726800 CPU: 8129.19, 0.00297915/step Wall: 8129.19, 0.00297915/step, 1.88117 hours remaining, 208.253906 MB of memory in use. ENERGY: 2726800 759.3265 2062.3585 1941.2128 117.5594 -206036.3926 17753.6720 0.0000 0.0000 34171.4305 -149230.8329 298.4276 -183402.2634 -149138.5555 298.2021 -97.8850 -64.9070 557837.3493 0.3905 0.2852 PRESSURE: 2727000 -60.1304 186.119 97.321 186.119 -328.752 18.9872 97.3213 18.9861 -9.66093 GPRESSURE: 2727000 -40.3591 90.0118 94.2403 243.558 -253.435 39.2522 73.8082 101.396 -26.4701 PRESSAVG: 2727000 -16.7744 39.7642 40.9367 39.7641 22.0122 -10.0784 40.9367 -10.0785 -24.8278 GPRESSAVG: 2727000 -16.6346 39.1107 40.6311 41.2009 22.7256 -9.56576 39.9888 -9.8399 -26.3061 TIMING: 2727000 CPU: 8129.79, 0.00298725/step Wall: 8129.79, 0.00298725/step, 1.88612 hours remaining, 208.253906 MB of memory in use. ENERGY: 2727000 715.7016 2076.4448 1933.8709 115.0919 -206133.3481 17540.5528 0.0000 0.0000 34374.1246 -149377.5615 300.1978 -183751.6861 -149280.3279 298.7807 -132.8479 -106.7546 557388.6396 -6.5300 -6.7384 PRESSURE: 2727200 -75.2277 23.6508 -145.827 23.65 -250.131 34.9448 -145.827 34.9439 0.94485 GPRESSURE: 2727200 -21.0847 118.434 -167.496 16.8402 -231.587 38.5842 -147.885 62.1224 17.2778 PRESSAVG: 2727200 57.0542 9.60448 -20.3186 9.60447 -69.9307 -17.5696 -20.3187 -17.5695 -4.29934 GPRESSAVG: 2727200 56.4195 10.2829 -20.3938 7.63064 -69.9532 -15.9537 -19.1673 -16.7974 -3.02891 TIMING: 2727200 CPU: 8130.38, 0.00299467/step Wall: 8130.38, 0.00299467/step, 1.89064 hours remaining, 208.253906 MB of memory in use. ENERGY: 2727200 750.2875 2072.9949 1968.0429 123.4379 -206017.6028 17544.8382 0.0000 0.0000 34237.7860 -149320.2154 299.0071 -183558.0013 -149229.8409 299.0441 -108.1379 -78.4645 556263.6588 -5.7253 -5.5208 PRESSURE: 2727400 183.724 -106.338 16.8454 -106.339 27.0966 -139.171 16.8451 -139.173 11.4286 GPRESSURE: 2727400 207.82 -105.403 3.84424 -42.4536 69.3552 -135.644 -18.5869 -176.21 41.5174 PRESSAVG: 2727400 73.7026 -12.2894 13.257 -12.2893 -17.1628 -12.1532 13.257 -12.1532 12.2387 GPRESSAVG: 2727400 74.8602 -12.5064 14.2718 -11.1584 -17.5817 -14.0712 12.2271 -12.43 11.5554 TIMING: 2727400 CPU: 8130.99, 0.0030061/step Wall: 8130.99, 0.0030061/step, 1.89768 hours remaining, 208.253906 MB of memory in use. ENERGY: 2727400 805.8053 2086.6524 1968.8859 113.3825 -206377.2337 17821.7351 0.0000 0.0000 34294.4459 -149286.3268 299.5019 -183580.7727 -149195.1791 299.2763 74.0832 106.2307 555708.3434 22.9262 22.9446 PRESSURE: 2727600 -227.391 88.536 49.3994 88.5347 -62.0399 14.1095 49.4003 14.1101 -67.5228 GPRESSURE: 2727600 -156.841 179.678 63.9472 72.2124 -95.4112 -4.00184 44.2229 10.858 -25.7317 PRESSAVG: 2727600 26.4931 -17.6348 -47.0205 -17.6348 -42.7706 -25.1044 -47.0204 -25.1044 48.4517 GPRESSAVG: 2727600 24.684 -17.6366 -47.9073 -17.8284 -42.2066 -24.1477 -45.4338 -25.9015 48.9281 TIMING: 2727600 CPU: 8131.58, 0.0029908/step Wall: 8131.58, 0.0029908/step, 1.88786 hours remaining, 208.253906 MB of memory in use. ENERGY: 2727600 794.2811 2054.7277 1922.6863 116.1802 -206184.4796 17603.4616 0.0000 0.0000 34425.0350 -149268.1077 300.6424 -183693.1427 -149165.4812 298.9403 -118.9845 -92.6613 556921.9720 10.7247 10.4685 PRESSURE: 2727800 74.805 -34.244 -6.45998 -34.243 -37.8888 76.3347 -6.45996 76.3337 -96.633 GPRESSURE: 2727800 95.592 -84.2938 -24.7375 -47.8619 8.0854 -14.9268 2.4258 123.878 -61.0598 PRESSAVG: 2727800 53.325 -16.9584 2.06692 -16.9584 -52.4406 54.6024 2.06688 54.6024 -0.857435 GPRESSAVG: 2727800 55.2324 -16.0358 2.15524 -17.3476 -52.8974 55.2552 1.32912 54.031 -1.67225 TIMING: 2727800 CPU: 8132.19, 0.00302635/step Wall: 8132.19, 0.00302635/step, 1.91013 hours remaining, 208.253906 MB of memory in use. ENERGY: 2727800 759.7300 2083.6434 1943.5981 104.2240 -206176.5551 17804.5493 0.0000 0.0000 34111.4692 -149369.3411 297.9039 -183480.8103 -149270.9272 299.0282 -19.9056 14.2059 558135.9121 0.0090 0.2209 PRESSURE: 2728000 82.7412 18.8722 30.8471 18.8724 -63.5362 -66.3754 30.8486 -66.3758 -7.2584 GPRESSURE: 2728000 100.898 20.3904 45.8404 76.8368 -27.5524 -17.9199 -37.7854 -50.7576 41.5403 PRESSAVG: 2728000 28.0476 37.5082 6.05082 37.5081 -68.8562 54.8846 6.05082 54.8846 -24.2885 GPRESSAVG: 2728000 26.8271 36.9486 6.46733 38.8894 -68.5072 53.9773 6.3537 54.274 -22.9932 TIMING: 2728000 CPU: 8132.79, 0.00302165/step Wall: 8132.79, 0.00302165/step, 1.907 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: 2728000 733.0339 2064.4018 1962.5829 119.9317 -206298.8818 17763.1223 0.0000 0.0000 34145.9964 -149509.8129 298.2055 -183655.8093 -149414.1789 298.8604 3.9822 38.2952 557567.7461 -21.6990 -21.5578 PRESSURE: 2728200 142.586 -66.87 -198.345 -66.8708 -127.708 -69.0968 -198.344 -69.0975 -107.11 GPRESSURE: 2728200 161.475 23.9491 -215.444 -100.276 -94.8504 48.397 -86.9098 -23.3256 -56.4287 PRESSAVG: 2728200 31.8055 27.363 -9.29131 27.3629 -83.8571 38.0332 -9.29134 38.0332 -13.8674 GPRESSAVG: 2728200 32.2274 28.0191 -11.5609 28.1525 -83.9889 37.5866 -7.75127 40.7543 -14.0411 TIMING: 2728200 CPU: 8133.4, 0.00302178/step Wall: 8133.4, 0.00302178/step, 1.90691 hours remaining, 208.253906 MB of memory in use. ENERGY: 2728200 703.3452 2132.2313 1950.4543 112.9027 -206311.9723 17741.8784 0.0000 0.0000 34294.7889 -149376.3716 299.5049 -183671.1605 -149282.3321 298.3823 -30.7440 3.3987 557350.4362 -21.9730 -21.9342 LDB: ============= START OF LOAD BALANCING ============== 8136.83 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8136.83 LDB: =============== DONE WITH MIGRATION ================ 8136.83 LDB: ============= START OF LOAD BALANCING ============== 8137.13 LDB: Largest compute 4821 load 0.029384 is 24.9% of average load 0.118003 LDB: Average compute 0.001725 is 1.5% of average load 0.118003 LDB: TIME 8137.13 LOAD: AVG 0.118003 MAX 0.201537 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 8137.13 LOAD: AVG 0.118003 MAX 0.201537 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.672 MB LDB: TIME 8137.13 LOAD: AVG 0.118003 MAX 0.201537 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.672 MB LDB: ============== END OF LOAD BALANCING =============== 8137.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8137.14 PRESSURE: 2728400 -5.71975 61.4038 -23.1679 61.403 146.521 -101.3 -23.1675 -101.299 15.7411 GPRESSURE: 2728400 21.7335 53.9519 -26.9203 118.874 126.707 -50.1974 -20.2121 -56.6945 114.198 PRESSAVG: 2728400 22.4613 31.5967 -32.4226 31.5968 -38.6077 -14.8153 -32.4226 -14.8154 29.1406 GPRESSAVG: 2728400 21.3597 31.7828 -29.7056 30.9517 -38.4571 -14.3062 -34.4539 -16.2286 29.4216 TIMING: 2728400 CPU: 8134.01, 0.00306507/step Wall: 8134.01, 0.00306507/step, 1.93406 hours remaining, 207.414062 MB of memory in use. ENERGY: 2728400 726.2674 2045.8592 1956.0370 112.8188 -206323.3431 17779.8559 0.0000 0.0000 34324.9329 -149377.5719 299.7682 -183702.5047 -149280.1758 298.6281 52.1810 87.5461 555716.2652 4.3314 4.1081 PRESSURE: 2728600 132.06 -47.3646 -124.692 -47.3639 -4.50231 33.2324 -124.692 33.2311 -179.555 GPRESSURE: 2728600 132.374 -46.6113 -138.837 -25.4735 -14.8166 -89.8325 -23.7198 62.3991 -78.111 PRESSAVG: 2728600 13.9514 -1.01188 15.5575 -1.01186 -9.91701 -18.8772 15.5575 -18.8772 -15.7174 GPRESSAVG: 2728600 14.9836 -0.883514 16.788 -2.22789 -9.90998 -18.877 16.0015 -18.4389 -16.6587 TIMING: 2728600 CPU: 8134.6, 0.00296926/step Wall: 8134.6, 0.00296926/step, 1.87344 hours remaining, 207.976562 MB of memory in use. ENERGY: 2728600 746.9828 2110.4947 1959.1712 116.7174 -206268.6572 17752.8477 0.0000 0.0000 34128.2637 -149454.1798 298.0506 -183582.4435 -149358.2850 298.6117 -17.3322 13.1489 557006.9130 -3.8943 -3.8617 PRESSURE: 2728800 160.756 148.695 -1.97587 148.695 120.64 215.744 -1.9765 215.743 92.1178 GPRESSURE: 2728800 172.552 247.03 87.3687 128.695 140.771 206.712 -47.932 251.157 165.9 PRESSAVG: 2728800 10.5424 42.5507 28.9627 42.5508 -20.3466 87.2091 28.9627 87.209 34.4809 GPRESSAVG: 2728800 9.85514 41.8983 25.0799 44.4731 -20.4251 86.6095 29.6126 87.4139 35.7762 TIMING: 2728800 CPU: 8135.2, 0.00298579/step Wall: 8135.2, 0.00298579/step, 1.8837 hours remaining, 207.976562 MB of memory in use. ENERGY: 2728800 737.3819 2133.3124 1960.6276 120.1243 -206692.7409 18087.7455 0.0000 0.0000 34116.8537 -149536.6957 297.9510 -183653.5493 -149442.0547 298.8732 124.5048 159.7410 555558.3897 8.2256 8.4020 PRESSURE: 2729000 214.949 91.637 11.0421 91.6361 -115.703 31.027 11.0424 31.0276 176.563 GPRESSURE: 2729000 248.571 132.231 -119.969 154.859 -59.8203 -68.7394 112.137 4.16758 176.843 PRESSAVG: 2729000 40.7771 83.5562 23.2717 83.5561 -27.1768 52.3144 23.2717 52.3144 -0.678504 GPRESSAVG: 2729000 40.576 83.9774 24.433 83.3917 -27.4694 53.2018 22.3873 51.086 -0.336092 TIMING: 2729000 CPU: 8135.8, 0.00297201/step Wall: 8135.8, 0.00297201/step, 1.87484 hours remaining, 207.976562 MB of memory in use. ENERGY: 2729000 776.8287 2135.3154 1965.4510 111.5809 -206456.7638 17919.0533 0.0000 0.0000 34223.1802 -149325.3543 298.8795 -183548.5345 -149226.3731 299.1194 91.9362 121.8646 555594.7538 4.3073 4.2568 PRESSURE: 2729200 157.484 -172.633 -42.4941 -172.634 -92.4918 38.5026 -42.4943 38.5024 140.767 GPRESSURE: 2729200 198.728 -92.8302 -25.8494 -157.835 -59.5154 57.6899 -91.3921 110.355 158.74 PRESSAVG: 2729200 17.9242 -6.39377 21.619 -6.39369 18.0642 62.2325 21.619 62.2326 -32.5518 GPRESSAVG: 2729200 17.1996 -6.82107 23.607 -7.56205 19.4137 61.3568 19.2827 63.0639 -33.4271 TIMING: 2729200 CPU: 8136.4, 0.00301362/step Wall: 8136.4, 0.00301362/step, 1.90093 hours remaining, 207.976562 MB of memory in use. ENERGY: 2729200 722.7207 2118.2700 1976.4813 118.1071 -206516.0576 17986.9978 0.0000 0.0000 34068.7848 -149524.6958 297.5312 -183593.4806 -149428.1062 299.3968 68.5866 99.3176 556345.1805 1.1455 1.0621 PRESSURE: 2729400 74.2468 161.377 -8.18234 161.376 -315.907 -134.515 -8.18198 -134.515 -98.1137 GPRESSURE: 2729400 149.992 188.171 -13.3689 155.948 -285.738 -143.23 -26.9888 -106.985 -104.818 PRESSAVG: 2729400 80.3641 38.519 13.7264 38.519 -55.6543 -15.3598 13.7264 -15.3597 -23.1081 GPRESSAVG: 2729400 81.3231 40.4186 11.6945 38.499 -56.85 -16.0994 16.3897 -16.6423 -22.4024 TIMING: 2729400 CPU: 8137, 0.00301475/step Wall: 8137, 0.00301475/step, 1.90147 hours remaining, 207.976562 MB of memory in use. ENERGY: 2729400 728.5521 2138.4059 1971.4129 123.3748 -206410.4068 17755.7804 0.0000 0.0000 34090.6669 -149602.2139 297.7223 -183692.8808 -149506.2080 298.1352 -113.2580 -80.1879 557915.2401 0.5339 0.6902 PRESSURE: 2729600 -157.354 37.2416 -19.6705 37.2415 61.1624 56.6034 -19.6695 56.6017 107.935 GPRESSURE: 2729600 -112.426 45.8436 51.1378 44.0944 9.33271 76.1302 -61.4948 12.9919 202.398 PRESSAVG: 2729600 11.4797 -56.8902 24.0646 -56.8904 30.0485 -78.081 24.0647 -78.081 -28.3447 GPRESSAVG: 2729600 12.7863 -58.441 22.2322 -56.2718 29.7682 -74.7252 26.2785 -76.9699 -28.6659 TIMING: 2729600 CPU: 8137.6, 0.00301013/step Wall: 8137.6, 0.00301013/step, 1.89839 hours remaining, 207.988281 MB of memory in use. ENERGY: 2729600 768.6523 2108.3499 1952.4595 114.9487 -206384.1007 17937.1913 0.0000 0.0000 33961.4697 -149541.0294 296.5940 -183502.4991 -149442.3592 298.2022 3.9145 33.1017 557168.1501 4.3945 4.6295 PRESSURE: 2729800 -89.0569 -73.5209 -2.86923 -73.5217 3.11507 124.211 -2.86808 124.211 -221.431 GPRESSURE: 2729800 -120.695 -26.9765 64.8392 -171.021 50.4253 39.752 50.6003 158.269 -138.715 PRESSAVG: 2729800 51.6861 -8.9202 23.2487 -8.92027 -38.9566 -36.3853 23.2487 -36.3854 -52.8261 GPRESSAVG: 2729800 50.8946 -9.56836 24.6342 -9.3138 -38.2842 -39.5499 21.3216 -36.0558 -53.5209 TIMING: 2729800 CPU: 8138.2, 0.0029996/step Wall: 8138.2, 0.0029996/step, 1.89158 hours remaining, 207.988281 MB of memory in use. ENERGY: 2729800 795.0543 2089.7940 1930.9091 115.8143 -206187.1931 17745.4088 0.0000 0.0000 34132.6895 -149377.5232 298.0893 -183510.2127 -149286.9861 298.3798 -102.4575 -69.6615 558790.6557 -13.3655 -13.6368 PRESSURE: 2730000 88.8071 -42.8475 47.7207 -42.8481 216.84 57.0017 47.7202 57.0014 12.4959 GPRESSURE: 2730000 147.89 18.9556 34.2375 -118.796 265.74 44.2075 53.8183 -6.85997 8.74018 PRESSAVG: 2730000 26.4726 -19.808 11.2363 -19.8079 55.4577 -5.64807 11.2363 -5.64808 -60.714 GPRESSAVG: 2730000 26.3651 -17.6892 12.1522 -19.7933 54.4678 -4.37208 11.7461 -7.15286 -59.8793 TIMING: 2730000 CPU: 8138.8, 0.00300385/step Wall: 8138.8, 0.00300385/step, 1.8941 hours remaining, 207.988281 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: 2730000 751.5190 2143.7860 1981.9822 118.0337 -206670.2528 18091.5824 0.0000 0.0000 34263.6726 -149319.6769 299.2332 -183583.3495 -149231.6097 298.6746 106.0476 140.7901 557704.1097 7.0721 6.9845 PRESSURE: 2730200 112.643 147.669 -20.5836 147.668 -170.892 -73.1276 -20.5841 -73.1266 -27.5189 GPRESSURE: 2730200 98.239 141.357 32.313 194.588 -121.624 -92.8271 37.9472 -18.2013 35.9044 PRESSAVG: 2730200 5.45765 -18.1336 -32.1536 -18.1335 -14.7267 11.4491 -32.1536 11.4491 -33.2326 GPRESSAVG: 2730200 5.36447 -18.8612 -33.2242 -16.9448 -15.2473 11.6837 -33.454 11.4983 -33.0244 TIMING: 2730200 CPU: 8139.4, 0.0029847/step Wall: 8139.4, 0.0029847/step, 1.88185 hours remaining, 207.988281 MB of memory in use. ENERGY: 2730200 740.2996 2114.8537 1966.4797 115.6318 -206260.0074 17787.7876 0.0000 0.0000 34138.6209 -149396.3341 298.1411 -183534.9549 -149304.7757 299.1233 -28.5892 4.1730 557681.0580 -14.1672 -14.3024 PRESSURE: 2730400 -265.216 27.8594 -110.129 27.8582 39.4743 -42.5157 -110.129 -42.5153 -399.163 GPRESSURE: 2730400 -236.16 95.1923 -129.526 31.3404 42.9274 -16.6007 -103.144 -28.2221 -332.639 PRESSAVG: 2730400 19.4829 -3.99448 15.9874 -3.99449 75.7325 39.475 15.9874 39.4751 -76.9763 GPRESSAVG: 2730400 19.2687 -4.7503 14.8855 -5.09484 76.3786 39.6355 16.0595 40.4199 -77.8498 TIMING: 2730400 CPU: 8140, 0.00300137/step Wall: 8140, 0.00300137/step, 1.8922 hours remaining, 207.988281 MB of memory in use. ENERGY: 2730400 777.3415 2084.2769 1935.6673 100.1976 -206142.3283 17606.7601 0.0000 0.0000 34464.2857 -149173.7992 300.9852 -183638.0849 -149078.6993 298.7665 -208.3015 -175.2905 557844.0183 6.0797 5.9325 PRESSURE: 2730600 -26.6886 61.2036 63.9476 61.2027 -131.84 -208.524 63.9487 -208.523 -163.833 GPRESSURE: 2730600 24.258 230.618 77.3371 41.1783 -129.607 -285.254 68.3771 -155.347 -126.058 PRESSAVG: 2730600 30.9219 -17.9626 3.51334 -17.9625 67.8984 -20.1528 3.51345 -20.1528 -88.0577 GPRESSAVG: 2730600 30.7367 -19.8336 4.63743 -18.0069 68.1334 -18.493 5.0173 -21.0491 -88.5517 TIMING: 2730600 CPU: 8140.6, 0.0029765/step Wall: 8140.6, 0.0029765/step, 1.87636 hours remaining, 207.988281 MB of memory in use. ENERGY: 2730600 766.3179 2118.1789 1946.4784 119.3731 -205746.4984 17425.3077 0.0000 0.0000 34214.6844 -149156.1580 298.8053 -183370.8424 -149062.2669 299.3631 -107.4540 -77.1354 557458.7341 3.5875 3.4395 PRESSURE: 2730800 -283.383 27.3974 12.7478 27.3975 -0.700242 78.2946 12.7481 78.2951 -54.2545 GPRESSURE: 2730800 -246.679 -15.3958 -12.7247 5.49354 18.2304 92.212 25.7085 112.207 -12.4766 PRESSAVG: 2730800 -5.72365 -20.7454 -21.2559 -20.7454 5.87111 8.38615 -21.2559 8.38609 -10.5134 GPRESSAVG: 2730800 -6.36065 -18.8119 -21.0484 -19.6189 6.04489 6.29177 -21.5433 10.1631 -9.84198 TIMING: 2730800 CPU: 8141.2, 0.00299219/step Wall: 8141.2, 0.00299219/step, 1.88608 hours remaining, 207.988281 MB of memory in use. ENERGY: 2730800 730.6558 2103.1690 1963.9457 112.3641 -205996.2353 17720.0050 0.0000 0.0000 34134.7069 -149231.3888 298.1069 -183366.0957 -149135.8162 299.0001 -112.7793 -80.3085 557991.3730 -3.4553 -3.3859 PRESSURE: 2731000 367.115 41.3999 -33.7082 41.3995 -6.97096 12.6988 -33.7075 12.6992 -86.2942 GPRESSURE: 2731000 356.119 140.235 -72.0916 121.984 62.4834 71.9493 -15.1111 46.4553 -55.3013 PRESSAVG: 2731000 85.2961 7.21449 21.2056 7.21449 -24.7535 15.2829 21.2056 15.2828 -0.754859 GPRESSAVG: 2731000 85.0655 5.90579 20.0909 8.01779 -24.2354 14.9659 21.5578 15.6055 -0.679249 TIMING: 2731000 CPU: 8141.79, 0.00298253/step Wall: 8141.79, 0.00298253/step, 1.87982 hours remaining, 207.988281 MB of memory in use. ENERGY: 2731000 694.7510 2090.3603 1932.1563 108.8274 -206302.6574 17903.0894 0.0000 0.0000 34340.6791 -149232.7939 299.9057 -183573.4730 -149136.3425 299.3028 91.2831 121.1003 556151.7508 19.9292 20.0503 PRESSURE: 2731200 -124.717 48.6746 -44.9523 48.6743 -290.433 30.3613 -44.9526 30.3612 -139.398 GPRESSURE: 2731200 -151.219 108.402 20.9901 -13.5695 -253.678 89.0198 -13.7784 -9.14192 -53.3253 PRESSAVG: 2731200 31.9589 7.96627 -23.3769 7.9662 -60.0105 33.7346 -23.3769 33.7347 11.3834 GPRESSAVG: 2731200 32.3954 7.04547 -20.6637 8.62442 -61.1371 33.8328 -24.418 33.6557 11.9694 TIMING: 2731200 CPU: 8142.39, 0.00298096/step Wall: 8142.39, 0.00298096/step, 1.87866 hours remaining, 207.988281 MB of memory in use. ENERGY: 2731200 725.7530 2150.2570 1929.7796 115.0104 -205812.0117 17544.2413 0.0000 0.0000 33990.6533 -149356.3170 296.8488 -183346.9703 -149256.0200 298.9192 -184.8496 -152.7410 558931.7936 -5.5561 -5.5908 PRESSURE: 2731400 -111.909 -18.3807 72.4753 -18.3805 148.926 -82.8938 72.4756 -82.8937 -187.563 GPRESSURE: 2731400 -78.2375 55.6874 31.2987 -23.3415 164.55 -54.7439 68.175 -118.323 -143.694 PRESSAVG: 2731400 45.2966 -9.01323 -25.4666 -9.01311 30.9233 2.51829 -25.4666 2.51836 -78.8822 GPRESSAVG: 2731400 46.3691 -7.39307 -26.3296 -11.2916 31.238 3.70003 -24.1997 2.24542 -80.2917 TIMING: 2731400 CPU: 8142.98, 0.00297988/step Wall: 8142.98, 0.00297988/step, 1.87782 hours remaining, 207.988281 MB of memory in use. ENERGY: 2731400 760.4701 2085.6273 1942.9172 125.4164 -206531.1388 17939.6170 0.0000 0.0000 34364.2154 -149312.8756 300.1112 -183677.0910 -149206.4655 298.6394 -50.1818 -19.1272 557902.9600 -0.8874 -0.8948 PRESSURE: 2731600 -81.0236 -81.6729 -156.339 -81.6725 -259.803 117.653 -156.339 117.653 89.4947 GPRESSURE: 2731600 -62.4277 -32.3655 -79.4729 -131.653 -238.166 88.3994 -191.215 67.5786 156.237 PRESSAVG: 2731600 16.3821 0.728405 -6.92707 0.728462 -8.07987 36.4232 -6.92698 36.4231 23.2877 GPRESSAVG: 2731600 15.8717 -0.0671469 -6.98079 2.49269 -9.22288 37.2685 -8.89923 36.4255 24.9527 TIMING: 2731600 CPU: 8143.58, 0.00299378/step Wall: 8143.58, 0.00299378/step, 1.88641 hours remaining, 207.988281 MB of memory in use. ENERGY: 2731600 750.0977 2063.9466 1958.6562 113.3044 -206291.0383 17776.2984 0.0000 0.0000 34142.4641 -149486.2708 298.1746 -183628.7349 -149385.8768 298.5024 -83.7772 -48.1188 556919.8646 10.5300 10.5338 PRESSURE: 2731800 25.244 75.9917 -23.3653 75.9922 -2.02755 69.6115 -23.3646 69.6133 11.308 GPRESSURE: 2731800 -2.87264 112.689 -9.24709 129.937 7.89645 54.4015 0.31457 66.0336 131.348 PRESSAVG: 2731800 -19.0926 14.2858 -50.6022 14.2859 -28.837 -2.03817 -50.6023 -2.0382 32.0475 GPRESSAVG: 2731800 -19.117 15.2848 -50.7732 12.6425 -27.9604 -2.27851 -50.7036 -2.08293 30.5001 TIMING: 2731800 CPU: 8144.19, 0.0030275/step Wall: 8144.19, 0.0030275/step, 1.9075 hours remaining, 207.988281 MB of memory in use. ENERGY: 2731800 774.9128 2093.1006 1929.0600 110.9966 -206778.8480 18026.8771 0.0000 0.0000 34231.6024 -149612.2984 298.9531 -183843.9008 -149511.9679 297.4302 11.5082 45.4574 556178.4704 -5.2940 -5.5258 PRESSURE: 2732000 -52.7971 -19.5052 -45.0479 -19.5054 -80.5304 68.3315 -45.049 68.3322 -96.4215 GPRESSURE: 2732000 -12.5979 -18.8728 15.8213 3.99573 -91.4885 73.0515 -31.9403 68.3786 -31.0336 PRESSAVG: 2732000 39.4848 31.6662 -13.9508 31.6662 -30.6158 7.39304 -13.9508 7.39308 65.2665 GPRESSAVG: 2732000 38.4663 31.8793 -14.202 32.2145 -29.6157 5.76697 -11.646 7.5672 65.3344 TIMING: 2732000 CPU: 8144.79, 0.00301207/step Wall: 8144.79, 0.00301207/step, 1.8976 hours remaining, 207.988281 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: 2732000 730.5445 2099.3410 1962.8314 91.7618 -206139.2082 17712.3242 0.0000 0.0000 34053.5519 -149488.8534 297.3981 -183542.4053 -149386.8365 298.4218 -76.5830 -45.0400 556915.3503 24.7118 24.7284 PRESSURE: 2732200 -92.5695 -44.0263 -78.4311 -44.025 -12.579 -58.513 -78.4303 -58.5137 -238.216 GPRESSURE: 2732200 -62.8098 18.5397 -43.4814 -75.207 29.3797 -56.7273 -134.068 -17.6433 -220.862 PRESSAVG: 2732200 20.5965 52.287 -25.1348 52.2869 18.0711 1.61014 -25.1349 1.61002 -58.7679 GPRESSAVG: 2732200 22.6961 53.4938 -25.1738 51.3016 16.6455 3.05523 -26.9021 1.33504 -59.3035 TIMING: 2732200 CPU: 8145.4, 0.00302513/step Wall: 8145.4, 0.00302513/step, 1.90566 hours remaining, 207.988281 MB of memory in use. ENERGY: 2732200 752.3901 2098.4776 1958.5711 112.2640 -206383.5291 17686.4002 0.0000 0.0000 34294.8328 -149480.5934 299.5053 -183775.4262 -149386.5496 298.2709 -114.4548 -84.7640 555990.4562 -6.7001 -6.6540 LDB: ============= START OF LOAD BALANCING ============== 8148.83 LDB: ============== END OF LOAD BALANCING =============== 8148.83 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8148.83 LDB: ============= START OF LOAD BALANCING ============== 8149.13 LDB: Largest compute 4821 load 0.029327 is 24.8% of average load 0.118021 LDB: Average compute 0.001726 is 1.5% of average load 0.118021 LDB: TIME 8149.13 LOAD: AVG 0.118021 MAX 0.206554 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.934 MB LDB: TIME 8149.13 LOAD: AVG 0.118021 MAX 0.206554 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.938 MB LDB: TIME 8149.13 LOAD: AVG 0.118021 MAX 0.206554 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8149.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8149.14 PRESSURE: 2732400 -13.8694 -187.746 32.9262 -187.746 -329.703 34.0393 32.9266 34.0391 214.952 GPRESSURE: 2732400 -36.9836 -144.548 11.3903 -165.846 -272 37.7074 138.12 30.5766 266.801 PRESSAVG: 2732400 -10.272 -38.5706 -10.5537 -38.5706 5.47769 47.8604 -10.5537 47.8604 16.5594 GPRESSAVG: 2732400 -12.1814 -38.1553 -11.4294 -36.7496 7.10261 49.5487 -8.81549 46.1753 16.9265 TIMING: 2732400 CPU: 8146.01, 0.00305773/step Wall: 8146.01, 0.00305773/step, 1.92603 hours remaining, 206.191406 MB of memory in use. ENERGY: 2732400 775.4926 2113.0174 1962.3098 118.4021 -206477.9019 17800.1413 0.0000 0.0000 34268.2306 -149440.3082 299.2730 -183708.5388 -149350.2103 298.7051 -42.8737 -14.0608 555987.1536 3.9217 3.9493 PRESSURE: 2732600 -8.49011 -159.974 -28.1453 -159.974 -269.249 56.0299 -28.1458 56.0298 93.6097 GPRESSURE: 2732600 44.8349 -125.429 -67.6125 -250.741 -234.741 77.8783 26.1598 43.5796 123.466 PRESSAVG: 2732600 57.3998 -48.8763 -60.2986 -48.8762 -54.1778 64.9625 -60.2985 64.9625 -2.36978 GPRESSAVG: 2732600 58.2477 -50.2925 -60.364 -50.0224 -55.0418 62.0469 -62.1242 66.8509 -2.07249 TIMING: 2732600 CPU: 8146.6, 0.00297887/step Wall: 8146.6, 0.00297887/step, 1.87619 hours remaining, 206.191406 MB of memory in use. ENERGY: 2732600 740.8255 2077.3091 1965.9962 124.3639 -206058.3465 17709.0529 0.0000 0.0000 34031.6048 -149409.1940 297.2065 -183440.7988 -149306.3469 298.7320 -61.3765 -22.1467 557185.3053 0.2840 0.3778 PRESSURE: 2732800 -44.0226 -81.9354 -121.106 -81.9354 76.2494 88.1516 -121.106 88.1536 -158.217 GPRESSURE: 2732800 -9.34674 -10.8076 -192.115 -198.321 111.329 36.0528 -109.048 98.4147 -120.185 PRESSAVG: 2732800 -13.2235 -70.6722 -67.3626 -70.6721 -72.6099 27.8709 -67.3626 27.871 56.9176 GPRESSAVG: 2732800 -13.2894 -70.1345 -65.122 -72.1409 -73.2111 30.45 -64.6903 27.0655 57.7087 TIMING: 2732800 CPU: 8147.2, 0.00298464/step Wall: 8147.2, 0.00298464/step, 1.87966 hours remaining, 206.191406 MB of memory in use. ENERGY: 2732800 729.5367 2122.7539 1946.5892 121.2418 -206330.3708 17759.4722 0.0000 0.0000 34343.1721 -149307.6048 299.9275 -183650.7769 -149210.9364 299.0388 -41.9966 -6.0676 557272.5433 -9.6386 -9.5973 PRESSURE: 2733000 -221.943 -94.5939 -24.723 -94.594 -156.864 -15.4479 -24.7247 -15.4478 -80.895 GPRESSURE: 2733000 -184.945 -139.657 -45.2337 -70.5293 -96.2891 -53.5496 7.56474 -81.6174 -72.2238 PRESSAVG: 2733000 41.9309 -72.4591 -48.0281 -72.4592 -17.3484 -17.4094 -48.0281 -17.4094 -21.7197 GPRESSAVG: 2733000 40.2256 -75.6221 -46.718 -68.0246 -16.5524 -18.7016 -50.4719 -17.1316 -21.207 TIMING: 2733000 CPU: 8147.8, 0.00299395/step Wall: 8147.8, 0.00299395/step, 1.88536 hours remaining, 206.191406 MB of memory in use. ENERGY: 2733000 745.3227 2120.3705 1921.6781 109.5946 -206067.3020 17596.7647 0.0000 0.0000 34227.2801 -149346.2913 298.9154 -183573.5714 -149240.0763 298.9863 -153.2341 -117.8193 558603.6110 0.9543 0.8220 PRESSURE: 2733200 -255.839 -104.441 170.972 -104.441 143.346 182.135 170.972 182.136 -29.6703 GPRESSURE: 2733200 -182.333 -83.7667 222.882 -120.739 156.418 175.193 107.326 174.728 -9.00022 PRESSAVG: 2733200 -75.5923 -44.8904 -31.1971 -44.8904 -4.15663 38.1953 -31.1971 38.1953 33.5755 GPRESSAVG: 2733200 -73.8346 -45.966 -29.9539 -43.2309 -3.9708 37.5964 -31.7639 39.363 32.2348 TIMING: 2733200 CPU: 8148.4, 0.00299371/step Wall: 8148.4, 0.00299371/step, 1.88504 hours remaining, 206.191406 MB of memory in use. ENERGY: 2733200 740.1052 2096.1181 1945.5479 110.9616 -206312.0884 17798.3504 0.0000 0.0000 34254.2458 -149366.7595 299.1508 -183621.0052 -149273.9840 299.3914 -47.3878 -11.6387 558303.1412 -15.3911 -15.1902 PRESSURE: 2733400 140.42 -176.372 -4.31034 -176.372 -37.3287 178.852 -4.31047 178.852 -86.3796 GPRESSURE: 2733400 94.1268 -155.496 -59.1665 -149.543 31.4018 112.36 -67.0529 166.322 -11.456 PRESSAVG: 2733400 3.82046 -13.3614 -12.9916 -13.3613 0.651027 36.0961 -12.9916 36.0961 76.5586 GPRESSAVG: 2733400 3.56318 -10.5157 -17.1919 -17.1308 -1.37489 37.1638 -9.3171 35.8737 78.698 TIMING: 2733400 CPU: 8149, 0.0030155/step Wall: 8149, 0.0030155/step, 1.89859 hours remaining, 206.191406 MB of memory in use. ENERGY: 2733400 794.3974 2067.6660 1927.8634 116.9117 -206664.4895 17948.3477 0.0000 0.0000 34367.6598 -149441.6435 300.1413 -183809.3033 -149346.1777 298.7181 5.5705 38.0242 557466.8917 27.0100 26.9621 PRESSURE: 2733600 75.36 22.7365 67.1273 22.7368 -43.3528 -0.732404 67.1275 -0.731378 -80.5093 GPRESSURE: 2733600 140.028 109.897 82.6895 24.9768 34.438 65.1362 -6.56399 17.1199 -123.456 PRESSAVG: 2733600 1.08309 -47.8813 -38.7139 -47.8814 -41.3111 117.656 -38.714 117.656 41.8411 GPRESSAVG: 2733600 2.87901 -47.7678 -37.7157 -48.117 -39.8933 117.991 -40.9566 115.871 38.4275 TIMING: 2733600 CPU: 8149.61, 0.00302622/step Wall: 8149.61, 0.00302622/step, 1.90517 hours remaining, 206.191406 MB of memory in use. ENERGY: 2733600 751.7487 2123.9891 1924.7747 108.8948 -206510.8052 17748.6897 0.0000 0.0000 34355.5288 -149497.1793 300.0354 -183852.7081 -149400.8968 298.7206 -16.1674 17.0034 557377.5418 0.5377 0.4711 PRESSURE: 2733800 -138.815 -20.643 -29.1186 -20.6429 91.8491 47.1674 -29.1165 47.1667 -177.83 GPRESSURE: 2733800 -87.5846 62.9807 -56.5183 6.74496 71.5351 64.2119 25.3656 -10.261 -118.818 PRESSAVG: 2733800 15.4773 -36.078 -9.1209 -36.0782 -12.2149 14.4103 -9.12086 14.4102 14.6356 GPRESSAVG: 2733800 14.5683 -38.3418 -8.46129 -35.9036 -11.7527 12.9727 -10.3635 16.4698 15.109 TIMING: 2733800 CPU: 8150.21, 0.00299616/step Wall: 8150.21, 0.00299616/step, 1.88608 hours remaining, 206.191406 MB of memory in use. ENERGY: 2733800 766.9133 2099.9287 1961.6589 106.7567 -206204.1561 17806.7389 0.0000 0.0000 34265.6600 -149196.4996 299.2505 -183462.1596 -149096.1506 298.6838 -74.9319 -44.9557 557744.2837 5.9660 5.9749 PRESSURE: 2734000 -24.8182 9.02736 -133.347 9.02761 -255.965 173.944 -133.346 173.943 -92.123 GPRESSURE: 2734000 25.3394 -23.2104 -152.638 12.6117 -251.456 245.206 -58.5914 128.65 -42.0949 PRESSAVG: 2734000 39.1075 -38.9704 -13.8132 -38.9705 -16.1308 4.07963 -13.8132 4.07971 -10.7289 GPRESSAVG: 2734000 38.0508 -36.1983 -12.7128 -39.2328 -17.3296 6.64309 -10.3457 2.8187 -8.2046 TIMING: 2734000 CPU: 8150.81, 0.0030187/step Wall: 8150.81, 0.0030187/step, 1.9001 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: 2734000 761.9293 2183.4749 1952.8668 106.4106 -206315.4899 17774.0334 0.0000 0.0000 34082.2079 -149454.5670 297.6484 -183536.7749 -149363.8313 299.1609 -124.3022 -89.4037 556887.4976 4.0826 4.1722 PRESSURE: 2734200 240.754 -57.8724 121.872 -57.8732 -148.474 -126.13 121.873 -126.132 211.028 GPRESSURE: 2734200 298.689 -161.321 -5.50962 5.32048 -86.8361 -195.113 220.575 -103.693 211.055 PRESSAVG: 2734200 8.99217 -29.1123 53.0447 -29.1123 16.0532 11.6569 53.0447 11.657 -36.9103 GPRESSAVG: 2734200 10.1772 -32.1903 51.2264 -26.9464 16.1942 9.88617 50.4083 10.6628 -38.1409 TIMING: 2734200 CPU: 8151.41, 0.0030077/step Wall: 8151.41, 0.0030077/step, 1.89301 hours remaining, 206.191406 MB of memory in use. ENERGY: 2734200 724.7186 2070.8042 1953.7073 104.5439 -206399.1497 17965.8571 0.0000 0.0000 34327.4685 -149252.0500 299.7903 -183579.5185 -149145.8191 299.2380 101.1027 140.9692 556904.5521 -3.9550 -3.9232 PRESSURE: 2734400 138.477 96.4886 -175.546 96.4895 101.295 14.6434 -175.545 14.6457 -15.0859 GPRESSURE: 2734400 186.815 105.547 -119.821 191.89 67.0572 3.62358 -251.042 64.4776 70.0253 PRESSAVG: 2734400 -11.5052 -24.6494 -8.16334 -24.6494 -32.812 1.15106 -8.16334 1.15097 5.89585 GPRESSAVG: 2734400 -10.6124 -21.7188 -6.48888 -24.0192 -33.8134 0.156862 -7.33933 1.70558 6.36166 TIMING: 2734400 CPU: 8152.01, 0.00298204/step Wall: 8152.01, 0.00298204/step, 1.87669 hours remaining, 206.191406 MB of memory in use. ENERGY: 2734400 730.5236 2059.6728 1903.7299 117.8258 -206386.1589 17942.6957 0.0000 0.0000 34310.2368 -149321.4742 299.6398 -183631.7111 -149227.2684 299.2112 74.8952 107.9658 557863.5521 -12.8071 -12.6880 PRESSURE: 2734600 -128.171 -11.0128 -81.1138 -11.0127 -34.1541 -89.7595 -81.1138 -89.7585 -129.44 GPRESSURE: 2734600 -95.5241 -26.3301 -84.1663 -119.681 30.901 -45.6264 -78.7517 -20.798 -123.427 PRESSAVG: 2734600 15.3788 -45.2451 -56.9311 -45.2452 -9.60205 23.6878 -56.9312 23.6878 16.0839 GPRESSAVG: 2734600 15.3689 -46.7818 -59.8036 -48.0971 -8.27345 23.7104 -57.4299 26.2349 15.1368 TIMING: 2734600 CPU: 8152.6, 0.0029756/step Wall: 8152.6, 0.0029756/step, 1.87248 hours remaining, 206.191406 MB of memory in use. ENERGY: 2734600 752.1686 2066.4387 1947.0748 116.6680 -206343.6901 17817.3004 0.0000 0.0000 34243.9416 -149400.0978 299.0609 -183644.0395 -149304.8301 299.2429 -97.2552 -62.6833 558058.6032 7.2869 7.4107 PRESSURE: 2734800 106.446 67.2816 50.8193 67.2806 -105.042 -54.7662 50.8195 -54.7659 26.5841 GPRESSURE: 2734800 89.2435 127.658 -77.0669 -59.8353 -19.7414 -83.6058 125.416 -33.5797 55.0638 PRESSAVG: 2734800 23.5261 -63.7647 38.2571 -63.7647 -20.6908 -32.3948 38.2571 -32.3949 -7.86651 GPRESSAVG: 2734800 23.178 -63.6012 40.6386 -61.6878 -21.7867 -32.6119 37.6512 -34.0858 -6.49764 TIMING: 2734800 CPU: 8153.2, 0.00300518/step Wall: 8153.2, 0.00300518/step, 1.89092 hours remaining, 206.191406 MB of memory in use. ENERGY: 2734800 782.7508 2108.0162 1932.7498 118.0348 -206175.3041 17851.5506 0.0000 0.0000 33926.6387 -149455.5633 296.2898 -183382.2020 -149362.4098 297.9668 9.3292 41.5220 557684.2922 -1.6771 -1.7021 PRESSURE: 2735000 69.4254 43.3143 -42.7508 43.3143 -155.358 3.07451 -42.7516 3.07515 -111.12 GPRESSURE: 2735000 61.6131 32.4369 -1.82922 63.7208 -162.286 -42.8218 -110.759 25.5899 9.11931 PRESSAVG: 2735000 9.1059 -12.1861 6.12769 -12.1862 14.9868 -54.9648 6.12769 -54.9647 -29.6244 GPRESSAVG: 2735000 8.83025 -12.7153 6.76923 -10.8825 15.7223 -55.0681 6.1206 -55.1076 -30.0451 TIMING: 2735000 CPU: 8153.81, 0.0030398/step Wall: 8153.81, 0.0030398/step, 1.91254 hours remaining, 206.191406 MB of memory in use. ENERGY: 2735000 736.9411 2109.3581 1921.9849 122.0465 -206071.1872 17745.6929 0.0000 0.0000 33930.3303 -149504.8334 296.3220 -183435.1637 -149412.3574 297.2852 -65.6844 -30.5178 557656.9688 -1.8439 -1.8308 PRESSURE: 2735200 -281.908 66.383 -191.17 66.3819 -5.42134 -242.66 -191.169 -242.658 -162.731 GPRESSURE: 2735200 -245.601 23.4681 -115.437 114.682 48.0817 -239.234 -163.285 -189.844 -153.261 PRESSAVG: 2735200 -11.3563 40.6495 13.1924 40.6495 -76.5133 -52.6647 13.1925 -52.6646 31.1698 GPRESSAVG: 2735200 -11.6544 41.5113 11.5781 39.5596 -76.3273 -52.3054 13.9408 -53.8152 31.336 TIMING: 2735200 CPU: 8154.42, 0.00302123/step Wall: 8154.42, 0.00302123/step, 1.90069 hours remaining, 206.191406 MB of memory in use. ENERGY: 2735200 775.8985 2140.0959 1952.8707 107.2864 -206358.2154 17685.1377 0.0000 0.0000 33994.2603 -149702.6659 296.8803 -183696.9262 -149601.2236 297.2176 -150.0202 -116.9268 557544.0729 -18.8999 -18.8819 PRESSURE: 2735400 183.712 -105.745 32.1872 -105.744 181.856 -1.5227 32.1867 -1.52302 7.82944 GPRESSURE: 2735400 210.136 -114.908 56.0252 -60.8503 237.256 -10.1888 66.3546 34.0272 16.1683 PRESSAVG: 2735400 66.4973 23.3834 -48.8389 23.3834 -39.0683 -59.4074 -48.8389 -59.4074 8.32919 GPRESSAVG: 2735400 66.7558 24.2281 -50.3548 21.0939 -39.224 -58.2778 -47.4337 -60.9385 8.45106 TIMING: 2735400 CPU: 8155.02, 0.00301262/step Wall: 8155.02, 0.00301262/step, 1.89511 hours remaining, 206.191406 MB of memory in use. ENERGY: 2735400 770.8658 2067.1353 1955.2550 109.3958 -206996.0839 18070.2254 0.0000 0.0000 34373.6935 -149649.5130 300.1940 -184023.2065 -149555.8161 297.9821 124.4659 154.5202 556047.2877 11.9194 11.9943 PRESSURE: 2735600 57.8694 146.367 8.92942 146.367 -40.6484 -42.8385 8.92916 -42.8389 -16.7977 GPRESSURE: 2735600 106.026 107.637 -26.2859 114.735 -2.91276 -7.62628 17.9941 -140.069 -3.53672 PRESSAVG: 2735600 -7.14589 52.4704 -3.02511 52.4704 17.4015 33.616 -3.02504 33.616 34.6996 GPRESSAVG: 2735600 -6.64862 52.4523 1.44766 52.5539 17.2499 32.602 -4.03981 36.4816 35.0229 TIMING: 2735600 CPU: 8155.62, 0.00300211/step Wall: 8155.62, 0.00300211/step, 1.88833 hours remaining, 206.191406 MB of memory in use. ENERGY: 2735600 785.9597 2103.8767 1927.6122 97.3896 -206593.3095 17906.7419 0.0000 0.0000 33971.1331 -149800.5964 296.6784 -183771.7295 -149709.3817 297.8372 0.1411 33.1920 556464.8030 14.9851 15.2080 PRESSURE: 2735800 -116.733 99.0575 -124.912 99.0565 -136.112 -116.018 -124.91 -116.019 73.2555 GPRESSURE: 2735800 -119.994 125.84 -264.978 75.1519 -84.0753 -47.6807 -18.4004 -151.348 131.029 PRESSAVG: 2735800 11.4131 36.4486 20.1572 36.4486 -17.4572 -3.51501 20.1573 -3.51508 -60.9436 GPRESSAVG: 2735800 10.1643 34.8767 17.0292 35.5111 -17.1784 -1.9963 21.9642 -4.27069 -59.7309 TIMING: 2735800 CPU: 8156.22, 0.00300524/step Wall: 8156.22, 0.00300524/step, 1.89013 hours remaining, 206.191406 MB of memory in use. ENERGY: 2735800 742.6543 2106.3583 1901.9918 108.2929 -206462.4165 17724.3653 0.0000 0.0000 33999.8320 -149878.9219 296.9290 -183878.7538 -149776.9018 297.6598 -59.8632 -24.3468 555315.5678 -22.3292 -22.2483 PRESSURE: 2736000 25.9759 173.882 -91.0769 173.882 48.2172 56.6311 -91.0775 56.6304 -57.0212 GPRESSURE: 2736000 79.068 103.179 -167.076 227.932 104.917 117.293 36.3376 33.1496 -65.5356 PRESSAVG: 2736000 20.8613 37.1814 12.369 37.1814 -11.8424 -21.8657 12.369 -21.8657 -0.196109 GPRESSAVG: 2736000 21.5032 38.6949 13.4026 37.7722 -10.7171 -23.7132 12.8115 -21.9658 -2.13594 TIMING: 2736000 CPU: 8156.82, 0.00300449/step Wall: 8156.82, 0.00300449/step, 1.88949 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: 2736000 716.7204 2084.0319 1933.6939 107.0684 -206716.5549 17765.7561 0.0000 0.0000 33995.6784 -150113.6057 296.8927 -184109.2841 -150018.0693 296.7669 5.7240 39.4832 555400.3984 2.9409 2.8834 PRESSURE: 2736200 309.744 76.4351 -114.433 76.4366 8.19545 -16.3678 -114.433 -16.3681 143.602 GPRESSURE: 2736200 339.243 33.6014 -172.861 58.9941 47.7001 -34.277 -107.98 -23.4517 185.123 PRESSAVG: 2736200 53.1888 35.3459 12.4889 35.3458 -37.4228 -26.0663 12.4889 -26.0664 -10.4938 GPRESSAVG: 2736200 52.7528 33.2675 12.6416 37.3316 -39.1045 -26.2568 9.97525 -25.4411 -8.17579 TIMING: 2736200 CPU: 8157.42, 0.0029993/step Wall: 8157.42, 0.0029993/step, 1.88606 hours remaining, 206.191406 MB of memory in use. ENERGY: 2736200 716.4028 2041.2756 1916.8769 104.0942 -206950.1306 17935.2768 0.0000 0.0000 34143.7156 -150092.4887 298.1856 -184236.2043 -150001.3697 296.3836 153.8473 190.6885 554824.2914 1.7574 1.8242 LDB: ============= START OF LOAD BALANCING ============== 8160.85 LDB: ============== END OF LOAD BALANCING =============== 8160.85 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8160.85 LDB: ============= START OF LOAD BALANCING ============== 8161.15 LDB: Largest compute 4821 load 0.028654 is 24.3% of average load 0.117948 LDB: Average compute 0.001734 is 1.5% of average load 0.117948 LDB: TIME 8161.15 LOAD: AVG 0.117948 MAX 0.203623 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.223 MB LDB: TIME 8161.15 LOAD: AVG 0.117948 MAX 0.203623 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.223 MB LDB: TIME 8161.15 LOAD: AVG 0.117948 MAX 0.203623 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8161.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8161.16 PRESSURE: 2736400 122.155 129.095 52.3754 129.097 -55.352 -102.76 52.3751 -102.762 69.1994 GPRESSURE: 2736400 171.745 249.091 10.8697 93.4241 -19.2693 -52.2189 38.5898 -166.345 73.6826 PRESSAVG: 2736400 29.5451 54.2812 -45.2753 54.2812 6.89581 -50.786 -45.2754 -50.7862 -6.94374 GPRESSAVG: 2736400 29.9992 57.4539 -46.5613 52.8324 6.67084 -49.577 -43.0658 -50.7744 -6.8597 TIMING: 2736400 CPU: 8158.03, 0.00303751/step Wall: 8158.03, 0.00303751/step, 1.90992 hours remaining, 207.984375 MB of memory in use. ENERGY: 2736400 729.6751 2110.9644 1937.3734 117.3678 -206731.6421 17841.5514 0.0000 0.0000 33890.9241 -150103.7860 295.9779 -183994.7101 -150007.4080 297.3574 45.3340 75.3862 555280.5030 9.8324 9.9368 PRESSURE: 2736600 16.3802 186.338 94.3254 186.338 -34.1228 -62.8903 94.325 -62.8911 -150.835 GPRESSURE: 2736600 74.5341 218.285 91.5424 88.3331 -42.9986 -19.6951 102.231 -137.895 -111.551 PRESSAVG: 2736600 61.1798 97.6275 24.0494 97.6275 -68.3473 -37.8912 24.0495 -37.8911 -4.08206 GPRESSAVG: 2736600 61.6251 95.1187 23.5521 99.1656 -67.9935 -38.1831 22.3696 -39.0642 -5.43833 TIMING: 2736600 CPU: 8158.63, 0.00301691/step Wall: 8158.63, 0.00301691/step, 1.8968 hours remaining, 208.187500 MB of memory in use. ENERGY: 2736600 749.3237 2085.0838 1937.7584 105.2580 -206624.2218 17912.4466 0.0000 0.0000 33826.0347 -150008.3167 295.4112 -183834.3514 -149920.9473 297.4250 -56.1924 -26.6718 556129.4339 -3.7498 -3.9356 PRESSURE: 2736800 -99.3798 -36.836 213.9 -36.8361 54.1781 -176.954 213.9 -176.955 -48.9241 GPRESSURE: 2736800 -44.4915 -147.281 155.692 17.5229 41.5199 -129.249 167.465 -133.139 -13.5094 PRESSAVG: 2736800 -32.0019 16.0717 39.0966 16.0718 19.5397 1.41621 39.0965 1.41626 52.6964 GPRESSAVG: 2736800 -32.3571 14.9765 41.2277 15.8726 19.2454 2.3975 40.0811 1.65838 52.8645 TIMING: 2736800 CPU: 8159.23, 0.00300934/step Wall: 8159.23, 0.00300934/step, 1.89187 hours remaining, 208.187500 MB of memory in use. ENERGY: 2736800 732.9300 2072.4547 1930.0593 105.8541 -206416.1271 17580.4691 0.0000 0.0000 34069.9889 -149924.3710 297.5417 -183994.3599 -149828.3274 297.3356 -31.3753 -5.4937 556955.7771 13.4114 13.2509 PRESSURE: 2737000 16.12 86.2763 -37.7037 86.2779 -145.895 -37.7669 -37.7046 -37.7661 60.7542 GPRESSURE: 2737000 6.31176 138.347 -57.4231 35.2999 -122.996 -98.0292 21.3809 0.774779 135.898 PRESSAVG: 2737000 -37.3998 0.540361 -21.3232 0.540433 53.3085 18.7812 -21.3231 18.7813 19.8598 GPRESSAVG: 2737000 -38.7861 1.44006 -20.068 0.143621 54.0682 17.9056 -20.502 19.6871 20.2303 TIMING: 2737000 CPU: 8159.83, 0.0029974/step Wall: 8159.83, 0.0029974/step, 1.8842 hours remaining, 208.187500 MB of memory in use. ENERGY: 2737000 728.7450 2067.3050 1932.0077 103.9582 -206429.7069 17806.9331 0.0000 0.0000 34042.6016 -149748.1563 297.3025 -183790.7579 -149653.8489 297.6194 -23.0070 6.4047 556833.9612 11.9228 11.8375 PRESSURE: 2737200 -141.284 73.0559 -70.3418 73.0564 -250.942 74.0328 -70.3416 74.0333 -256.113 GPRESSURE: 2737200 -87.3206 68.0713 -39.593 75.4438 -282.049 54.445 -52.9808 21.4102 -183.485 PRESSAVG: 2737200 74.7846 4.99364 -5.76274 4.99366 -13.3661 0.576716 -5.76268 0.576726 -55.0448 GPRESSAVG: 2737200 75.6727 4.1131 -6.90577 5.8779 -13.1729 0.210031 -6.97891 -0.229965 -56.0405 TIMING: 2737200 CPU: 8160.43, 0.00300191/step Wall: 8160.43, 0.00300191/step, 1.88686 hours remaining, 208.187500 MB of memory in use. ENERGY: 2737200 696.1113 2052.8334 1938.9909 108.2598 -205893.2593 17435.6100 0.0000 0.0000 33939.2909 -149722.1629 296.4003 -183661.4538 -149627.8308 298.2726 -216.1128 -184.2848 557457.9636 2.1246 2.1531 PRESSURE: 2737400 -185.827 187.841 152.028 187.841 66.6398 -176.913 152.028 -176.913 150.919 GPRESSURE: 2737400 -162.769 285.72 119.128 177.134 100.298 -138.411 256.351 -162.975 200.999 PRESSAVG: 2737400 41.1026 12.2002 10.9566 12.2001 2.96286 -53.9417 10.9566 -53.9417 -60.0221 GPRESSAVG: 2737400 42.1506 14.5107 10.6276 11.7467 2.4951 -52.577 11.9672 -52.9185 -60.1413 TIMING: 2737400 CPU: 8161.04, 0.00302009/step Wall: 8161.04, 0.0030201/step, 1.89813 hours remaining, 208.187500 MB of memory in use. ENERGY: 2737400 728.2292 2045.9501 1932.7855 108.2938 -206873.5715 17983.5574 0.0000 0.0000 34300.9946 -149773.7609 299.5591 -184074.7555 -149686.7239 297.5129 10.5773 46.1760 556332.2911 -5.3189 -5.1652 PRESSURE: 2737600 -172.748 134.786 -75.6714 134.786 -187.289 82.3014 -75.6721 82.3003 -32.9571 GPRESSURE: 2737600 -120.437 138.624 -105.332 101.408 -182.826 74.7094 -76.9852 74.1576 12.1851 PRESSAVG: 2737600 -19.2562 45.5996 -10.3122 45.5996 -29.6602 -47.4097 -10.3122 -47.4097 32.6651 GPRESSAVG: 2737600 -20.7809 44.5571 -10.6386 47.7716 -28.9034 -48.8965 -10.5858 -48.6873 34.0542 TIMING: 2737600 CPU: 8161.64, 0.00300886/step Wall: 8161.64, 0.00300886/step, 1.8909 hours remaining, 208.187500 MB of memory in use. ENERGY: 2737600 724.9496 2083.9938 1945.6674 116.7324 -206695.7935 17907.7431 0.0000 0.0000 34206.6641 -149710.0430 298.7353 -183916.7071 -149620.0239 298.6595 -130.9980 -97.0262 558597.8738 -5.4171 -5.2100 PRESSURE: 2737800 190.583 166.611 -119.629 166.611 121.976 -84.6478 -119.629 -84.6479 158.918 GPRESSURE: 2737800 248.617 268.719 -153.099 66.2718 128.98 -88.1712 -76.3988 -142.088 209.154 PRESSAVG: 2737800 10.5463 36.3168 -9.18489 36.3168 -8.443 -69.2201 -9.18478 -69.22 8.9934 GPRESSAVG: 2737800 11.5085 35.1062 -8.89202 34.629 -8.77454 -69.0977 -9.50139 -66.9329 8.15547 TIMING: 2737800 CPU: 8162.24, 0.00300818/step Wall: 8162.24, 0.00300818/step, 1.89031 hours remaining, 208.187500 MB of memory in use. ENERGY: 2737800 694.7021 2025.5064 1953.9170 104.1381 -206976.8309 18123.0524 0.0000 0.0000 34155.4982 -149920.0168 298.2885 -184075.5150 -149822.3982 297.6243 157.1591 195.5837 557659.2364 3.6989 3.6298 PRESSURE: 2738000 -98.3103 11.897 54.6065 11.8968 -281.242 26.1689 54.6059 26.1685 -33.2054 GPRESSURE: 2738000 -81.5755 -18.5149 91.6796 24.2419 -275.526 12.6897 52.0415 -23.6481 50.9862 PRESSAVG: 2738000 -25.5721 -40.6165 -29.3817 -40.6165 23.7865 -27.2773 -29.3817 -27.2773 4.04084 GPRESSAVG: 2738000 -26.2925 -41.5049 -30.756 -39.5646 23.4472 -26.3993 -29.4142 -27.9232 5.34238 TIMING: 2738000 CPU: 8162.84, 0.0029844/step Wall: 8162.84, 0.0029844/step, 1.8752 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: 2738000 766.3658 2084.2171 1936.8401 113.2825 -206184.4059 17651.4669 0.0000 0.0000 33925.5288 -149706.7047 296.2801 -183632.2335 -149609.1538 297.7995 -137.5859 -102.0384 557355.0218 0.7518 0.8324 PRESSURE: 2738200 -303.108 -76.7897 36.4789 -76.7874 -280.819 13.4224 36.4795 13.4227 220.243 GPRESSURE: 2738200 -304.412 -72.0695 23.9898 -16.8357 -185.129 -40.6596 38.1097 81.8769 232.392 PRESSAVG: 2738200 21.0486 -41.6041 -7.78161 -41.604 -79.4246 5.98147 -7.78157 5.98156 69.7084 GPRESSAVG: 2738200 21.5106 -39.5926 -5.94722 -41.8279 -77.8067 5.88433 -9.77774 5.65487 67.784 TIMING: 2738200 CPU: 8163.43, 0.00297561/step Wall: 8163.43, 0.00297561/step, 1.86951 hours remaining, 208.187500 MB of memory in use. ENERGY: 2738200 742.1212 2066.1365 1956.0072 109.3844 -206203.3265 17623.4983 0.0000 0.0000 34048.5757 -149657.6033 297.3547 -183706.1789 -149563.8689 297.8615 -121.2283 -85.7164 555966.2245 3.7774 3.8293 PRESSURE: 2738400 11.4801 -154.89 114.68 -154.89 -124.191 144.469 114.681 144.468 -240.429 GPRESSURE: 2738400 31.1757 -142.989 79.1847 -98.4162 -54.4847 190.451 160.717 107.907 -228.781 PRESSAVG: 2738400 16.0391 -31.7217 4.90728 -31.7217 -42.9765 8.85194 4.90728 8.85199 62.829 GPRESSAVG: 2738400 16.1753 -31.1092 2.49444 -33.0396 -44.7158 8.41841 7.25799 8.49075 64.6183 TIMING: 2738400 CPU: 8164.03, 0.00296463/step Wall: 8164.03, 0.00296463/step, 1.86245 hours remaining, 208.187500 MB of memory in use. ENERGY: 2738400 748.4012 2078.6037 1927.0857 101.2414 -207001.5106 18103.5138 0.0000 0.0000 34216.6372 -149826.0275 298.8224 -184042.6647 -149727.8566 298.3565 -117.7132 -84.0300 558598.5944 11.9639 12.0259 PRESSURE: 2738600 -36.5347 143.517 14.7371 143.516 -35.8718 -107.967 14.7378 -107.967 186.604 GPRESSURE: 2738600 37.9079 183.221 -20.3022 133.295 27.7584 -96.2242 12.9358 -92.7457 152.495 PRESSAVG: 2738600 77.1974 -35.3577 47.0945 -35.3576 -53.0064 13.6849 47.0945 13.6849 -11.1671 GPRESSAVG: 2738600 76.884 -35.456 47.5939 -34.147 -51.8363 14.9657 46.8474 14.7483 -12.3919 TIMING: 2738600 CPU: 8164.62, 0.00296289/step Wall: 8164.62, 0.00296289/step, 1.86119 hours remaining, 208.187500 MB of memory in use. ENERGY: 2738600 751.7449 2116.1205 1916.4988 120.5642 -206637.1165 17927.0907 0.0000 0.0000 33972.7302 -149832.3673 296.6923 -183805.0975 -149732.1596 297.1596 38.0657 72.7205 557977.6983 4.3413 4.2186 PRESSURE: 2738800 -229.276 24.1466 -83.994 24.1462 -32.9593 -32.4265 -83.9939 -32.425 -337.722 GPRESSURE: 2738800 -179.356 57.2901 -39.9421 97.5857 -1.04205 -83.8047 -67.9278 45.0343 -343.344 PRESSAVG: 2738800 8.86637 1.02874 30.1254 1.02887 39.5708 8.74337 30.1255 8.74336 -26.593 GPRESSAVG: 2738800 9.26148 1.7843 30.8521 -0.824403 39.7019 6.03361 28.7213 10.9555 -27.3493 TIMING: 2738800 CPU: 8165.22, 0.00302038/step Wall: 8165.22, 0.00302038/step, 1.89713 hours remaining, 208.187500 MB of memory in use. ENERGY: 2738800 775.6836 2088.1804 1964.4031 109.3094 -206640.4706 17752.1144 0.0000 0.0000 34303.2775 -149647.5022 299.5791 -183950.7797 -149561.1562 298.1564 -199.9856 -174.5809 557415.5578 7.2814 7.2047 PRESSURE: 2739000 -225.291 24.6515 -33.3292 24.6504 6.4276 111.128 -33.3296 111.13 -178.665 GPRESSURE: 2739000 -155.72 58.6493 -87.2875 -33.1298 -20.7168 58.7934 -42.7875 149.012 -133.314 PRESSAVG: 2739000 -2.59482 -6.23153 -1.96277 -6.23146 40.7601 13.1529 -1.96272 13.1529 -19.7188 GPRESSAVG: 2739000 -3.99648 -7.51453 -0.0751445 -4.96206 41.6521 13.5549 -1.99736 9.22065 -18.6901 TIMING: 2739000 CPU: 8165.82, 0.00300934/step Wall: 8165.82, 0.00300934/step, 1.89003 hours remaining, 208.187500 MB of memory in use. ENERGY: 2739000 693.8652 1986.8748 1956.2706 123.0026 -206138.3157 17540.3937 0.0000 0.0000 34201.9207 -149635.9880 298.6939 -183837.9087 -149535.4974 298.3588 -132.5096 -103.2501 558627.9524 6.1489 6.3219 PRESSURE: 2739200 115.906 149.001 36.8882 148.999 -105.141 25.2553 36.8883 25.2573 -38.0066 GPRESSURE: 2739200 155.659 214.364 72.1823 135.575 -21.7425 90.7238 -6.34279 45.7368 -84.1494 PRESSAVG: 2739200 8.81112 -7.67068 -2.35572 -7.67063 26.6924 26.3327 -2.35576 26.3327 -58.9034 GPRESSAVG: 2739200 10.1348 -5.98651 -2.86291 -7.72807 25.7641 27.6303 -1.56169 27.5197 -59.582 TIMING: 2739200 CPU: 8166.42, 0.0029826/step Wall: 8166.42, 0.0029826/step, 1.87308 hours remaining, 208.187500 MB of memory in use. ENERGY: 2739200 712.1841 2111.5006 1946.9123 112.1331 -206715.8874 17926.1266 0.0000 0.0000 34087.3826 -149819.6482 297.6936 -183907.0308 -149727.9940 297.4658 -9.0805 16.5889 557411.6521 -7.8000 -7.8943 PRESSURE: 2739400 -3.98709 74.93 16.6559 74.9311 -225.285 83.3986 16.6565 83.3998 -169.454 GPRESSURE: 2739400 25.3761 107.625 -21.9272 89.8441 -196.437 39.3128 129.743 114.816 -136.388 PRESSAVG: 2739400 59.9961 44.4408 -28.3241 44.4408 -25.6584 -5.56198 -28.3242 -5.56194 -10.0991 GPRESSAVG: 2739400 59.8935 43.0542 -30.3407 43.8426 -24.8871 -5.19276 -28.1344 -7.06602 -10.6428 TIMING: 2739400 CPU: 8167.02, 0.00301962/step Wall: 8167.02, 0.00301962/step, 1.89615 hours remaining, 208.187500 MB of memory in use. ENERGY: 2739400 721.4697 2038.2027 1930.6085 116.2830 -206374.1977 17572.2411 0.0000 0.0000 34086.7576 -149908.6351 297.6881 -183995.3927 -149805.5084 296.7501 -132.9086 -102.4829 556864.5073 8.0795 8.1212 PRESSURE: 2739600 -17.5846 186.686 146.433 186.686 -336.989 -17.9946 146.434 -17.9944 79.5433 GPRESSURE: 2739600 -54.8702 198.134 180.457 146.064 -266.014 12.5482 55.9573 -95.0971 146.416 PRESSAVG: 2739600 56.5052 44.5096 11.364 44.5096 -79.0738 -22.581 11.364 -22.5809 12.4247 GPRESSAVG: 2739600 56.0777 45.4023 12.9882 45.5934 -78.627 -22.7975 10.6393 -22.5438 12.1281 TIMING: 2739600 CPU: 8167.63, 0.00302299/step Wall: 8167.63, 0.00302299/step, 1.8981 hours remaining, 208.187500 MB of memory in use. ENERGY: 2739600 771.7187 2087.0550 1957.8720 112.5267 -206539.9371 17888.7619 0.0000 0.0000 34046.7138 -149675.2891 297.3384 -183722.0029 -149581.6048 297.6167 -91.6767 -58.1560 556921.2963 -3.3813 -3.4737 PRESSURE: 2739800 -1.21801 166.865 -159.529 166.865 -374.633 -249.597 -159.53 -249.598 -163.892 GPRESSURE: 2739800 -46.8623 137.195 -206.824 199.385 -318.459 -216.75 -106.184 -261.655 -71.8224 PRESSAVG: 2739800 65.2344 19.7058 -65.8033 19.7057 -84.2094 -67.2134 -65.8033 -67.2134 2.58895 GPRESSAVG: 2739800 65.5412 17.2895 -68.9514 20.0664 -85.193 -65.6284 -65.1754 -66.7375 3.3377 TIMING: 2739800 CPU: 8168.23, 0.0030201/step Wall: 8168.23, 0.0030201/step, 1.89612 hours remaining, 208.187500 MB of memory in use. ENERGY: 2739800 749.1941 2091.8148 1961.3634 117.2068 -206039.0451 17480.7969 0.0000 0.0000 33957.7641 -149680.9050 296.5616 -183638.6691 -149585.3754 297.5196 -179.9141 -145.7145 557759.7039 -5.4620 -5.4380 PRESSURE: 2740000 -54.3539 -251.274 -26.6798 -251.274 -77.0917 -74.3252 -26.6807 -74.3256 -121.782 GPRESSURE: 2740000 -38.6176 -161.189 -151.563 -302.969 -39.564 -91.0995 22.2927 -156.123 -74.2307 PRESSAVG: 2740000 46.808 59.8485 -70.4545 59.8484 21.6803 3.85143 -70.4545 3.85149 -62.8202 GPRESSAVG: 2740000 46.1097 61.1508 -67.4079 59.3713 22.2923 -0.343476 -70.7182 7.02415 -63.4414 TIMING: 2740000 CPU: 8168.84, 0.00301745/step Wall: 8168.84, 0.00301745/step, 1.89429 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: 2740000 771.6041 2072.0121 1942.9688 110.2273 -206612.7099 17910.1090 0.0000 0.0000 34243.2023 -149562.5860 299.0544 -183805.7884 -149470.5895 298.0769 -84.4091 -50.8041 557571.9127 1.8893 1.6535 PRESSURE: 2740200 388.972 156.355 -57.1515 156.355 251.85 -41.3681 -57.1516 -41.3682 392.129 GPRESSURE: 2740200 360.268 151.933 3.50101 145.765 354 26.8015 -40.9595 -88.0823 418.629 PRESSAVG: 2740200 36.0701 4.94671 3.26751 4.94676 -13.9219 15.9096 3.26739 15.9096 -38.3337 GPRESSAVG: 2740200 36.8471 5.79004 3.85023 5.78004 -14.526 19.6105 4.08931 13.4778 -38.6241 TIMING: 2740200 CPU: 8169.44, 0.00304231/step Wall: 8169.44, 0.00304231/step, 1.90973 hours remaining, 208.187500 MB of memory in use. ENERGY: 2740200 697.7266 2103.0303 1955.2962 121.3991 -207120.3164 18346.6112 0.0000 0.0000 34239.7307 -149656.5222 299.0241 -183896.2529 -149556.3441 298.2037 344.3171 377.6321 556787.0643 -5.3952 -5.4343 LDB: ============= START OF LOAD BALANCING ============== 8172.87 LDB: ============== END OF LOAD BALANCING =============== 8172.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8172.88 LDB: ============= START OF LOAD BALANCING ============== 8173.18 LDB: Largest compute 4821 load 0.028256 is 23.9% of average load 0.118083 LDB: Average compute 0.001734 is 1.5% of average load 0.118083 LDB: TIME 8173.18 LOAD: AVG 0.118083 MAX 0.206348 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.57 MB LDB: TIME 8173.18 LOAD: AVG 0.118083 MAX 0.206348 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.633 MB LDB: TIME 8173.18 LOAD: AVG 0.118083 MAX 0.206348 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.633 MB LDB: ============== END OF LOAD BALANCING =============== 8173.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8173.19 PRESSURE: 2740400 273.084 -72.2977 81.0638 -72.2973 65.2728 -17.7192 81.0628 -17.7185 46.9319 GPRESSURE: 2740400 251.053 -69.0092 55.238 -136.114 136.205 -38.4024 86.9851 27.5306 97.9624 PRESSAVG: 2740400 -32.0124 0.0885604 33.1083 0.0886085 4.4952 -34.4811 33.1082 -34.4811 3.01388 GPRESSAVG: 2740400 -33.0732 -2.42748 32.8211 -1.3338 6.13438 -36.5014 34.7379 -32.0829 2.5041 TIMING: 2740400 CPU: 8170.06, 0.00306163/step Wall: 8170.06, 0.00306163/step, 1.92168 hours remaining, 205.226562 MB of memory in use. ENERGY: 2740400 755.6017 2131.2775 1941.4261 103.3636 -206865.6139 18037.2522 0.0000 0.0000 34192.5715 -149704.1214 298.6122 -183896.6928 -149609.7265 298.0721 128.4294 161.7401 555660.1598 -8.1678 -8.1449 PRESSURE: 2740600 -14.2105 -131.31 -38.996 -131.31 -167.052 -131.062 -38.9958 -131.063 177.613 GPRESSURE: 2740600 71.9961 -82.9107 -47.4039 -142.606 -193.414 -55.0257 -94.4454 -102.875 222.991 PRESSAVG: 2740600 29.6398 21.2888 26.5377 21.2888 -22.6756 -21.0321 26.5378 -21.0321 45.602 GPRESSAVG: 2740600 30.9945 21.697 25.5364 21.9278 -24.7217 -20.3752 24.371 -22.2611 45.8989 TIMING: 2740600 CPU: 8170.65, 0.00298623/step Wall: 8170.65, 0.00298623/step, 1.87419 hours remaining, 205.226562 MB of memory in use. ENERGY: 2740600 780.5867 2087.5287 1963.5324 109.5924 -206962.5124 18127.6223 0.0000 0.0000 34220.9088 -149672.7411 298.8597 -183893.6499 -149571.7146 297.7498 -1.2164 33.8579 555361.7160 17.5221 17.3906 PRESSURE: 2740800 -100.89 -153.806 135.964 -153.805 69.8009 27.4715 135.965 27.4725 -177.246 GPRESSURE: 2740800 -120.254 -115.41 155.774 -139.3 187.058 22.1326 186.742 -25.1004 -169.366 PRESSAVG: 2740800 27.885 -1.39902 -23.3492 -1.39901 14.2925 -16.768 -23.3492 -16.768 -16.6828 GPRESSAVG: 2740800 28.1054 -0.801013 -21.3984 -0.453816 15.5565 -15.0715 -23.2103 -18.3884 -18.4236 TIMING: 2740800 CPU: 8171.25, 0.0029919/step Wall: 8171.25, 0.0029919/step, 1.87758 hours remaining, 205.226562 MB of memory in use. ENERGY: 2740800 804.1274 2097.9010 1952.5356 138.5181 -206716.4117 17906.1697 0.0000 0.0000 34347.4374 -149469.7225 299.9647 -183817.1599 -149374.7705 298.4538 -69.4449 -34.1873 556380.9173 8.4982 8.4128 PRESSURE: 2741000 -73.6368 31.0534 -20.8147 31.053 -279.744 -134.779 -20.8164 -134.779 -181.143 GPRESSURE: 2741000 -38.7459 89.5538 70.0241 7.31017 -247.03 -100.323 -11.3236 -186.962 -148.972 PRESSAVG: 2741000 41.5023 -47.4145 -16.3317 -47.4145 -41.2867 -53.7234 -16.3317 -53.7235 19.8781 GPRESSAVG: 2741000 40.0249 -47.3373 -15.1096 -48.1336 -41.7582 -54.1074 -15.9406 -51.4632 21.7476 TIMING: 2741000 CPU: 8171.85, 0.00298172/step Wall: 8171.85, 0.00298172/step, 1.87103 hours remaining, 205.226562 MB of memory in use. ENERGY: 2741000 739.7769 2113.5028 1946.0316 100.9406 -206265.2252 17584.7081 0.0000 0.0000 34226.5731 -149553.6921 298.9092 -183780.2652 -149452.1498 298.4722 -178.1747 -144.9159 558187.8255 6.6979 6.6715 PRESSURE: 2741200 -71.2771 115.437 100.809 115.437 -41.4723 15.0579 100.808 15.0567 -157.283 GPRESSURE: 2741200 -72.0193 67.3676 70.5223 114.505 10.1331 -56.8692 85.71 -6.17676 -118.054 PRESSAVG: 2741200 40.5031 -10.2434 -25.1415 -10.2434 -11.3961 19.6959 -25.1415 19.696 -38.14 GPRESSAVG: 2741200 41.0633 -8.45703 -28.0327 -11.812 -10.9358 19.2005 -23.2501 17.7697 -38.6743 TIMING: 2741200 CPU: 8172.45, 0.00298236/step Wall: 8172.45, 0.00298236/step, 1.87127 hours remaining, 205.226562 MB of memory in use. ENERGY: 2741200 731.5938 2103.0005 1944.0048 109.9580 -206491.5097 17856.5860 0.0000 0.0000 34388.8778 -149357.4888 300.3266 -183746.3666 -149255.5495 298.2062 -90.0108 -59.9800 558618.8698 -3.0110 -2.8489 PRESSURE: 2741400 -41.6342 77.4288 12.6229 77.428 62.0701 -91.2826 12.6238 -91.2833 -439.511 GPRESSURE: 2741400 45.2683 89.323 63.2984 107.255 7.1753 -80.1795 57.3313 -132.513 -375.31 PRESSAVG: 2741400 -7.07305 37.0353 29.5237 37.0352 -74.9221 6.27416 29.5238 6.27416 72.218 GPRESSAVG: 2741400 -7.73319 36.457 28.967 37.1702 -76.2428 4.76552 28.5878 6.2699 73.9319 TIMING: 2741400 CPU: 8173.04, 0.00299285/step Wall: 8173.04, 0.00299285/step, 1.87768 hours remaining, 205.226562 MB of memory in use. ENERGY: 2741400 702.7661 2071.2533 1940.9964 119.1030 -206109.2299 17605.3771 0.0000 0.0000 34275.4755 -149394.2585 299.3363 -183669.7340 -149299.2943 298.7542 -139.6917 -107.6223 559022.1145 -3.2591 -3.3480 PRESSURE: 2741600 -176.448 8.95294 -45.4296 8.95252 78.495 -9.15647 -45.4301 -9.15513 -242.41 GPRESSURE: 2741600 -115.87 -82.39 9.50422 60.6392 39.154 -119.294 -63.4398 -29.9302 -149.832 PRESSAVG: 2741600 24.7431 -6.57633 -51.5886 -6.57638 -5.94412 -23.7107 -51.5886 -23.7107 -8.76881 GPRESSAVG: 2741600 26.0895 -7.72472 -49.3266 -4.82437 -5.85772 -21.7675 -53.0631 -23.8873 -10.0039 TIMING: 2741600 CPU: 8173.64, 0.00300139/step Wall: 8173.64, 0.00300139/step, 1.88287 hours remaining, 205.226562 MB of memory in use. ENERGY: 2741600 751.7640 2094.0944 1939.2635 105.9799 -206205.9359 17687.9651 0.0000 0.0000 34178.6540 -149448.2150 298.4907 -183626.8691 -149356.0305 298.2772 -113.4542 -75.5162 558117.8646 3.3434 3.4093 PRESSURE: 2741800 -146.995 5.17908 6.37489 5.17985 51.3904 104.252 6.37414 104.252 -242.46 GPRESSURE: 2741800 -97.0297 -60.457 -35.1844 -14.4048 71.6288 73.8449 -9.41365 135.731 -218.932 PRESSAVG: 2741800 -43.0027 -33.5307 -0.418756 -33.5307 -13.6798 -51.3239 -0.41873 -51.3237 1.72738 GPRESSAVG: 2741800 -44.1516 -35.0474 -1.53167 -33.1246 -12.5846 -53.0121 -0.188814 -49.3045 1.68766 TIMING: 2741800 CPU: 8174.24, 0.00297208/step Wall: 8174.24, 0.00297208/step, 1.86432 hours remaining, 205.226562 MB of memory in use. ENERGY: 2741800 714.5567 2099.5307 1940.8912 102.1554 -206059.4425 17534.0654 0.0000 0.0000 34058.9430 -149609.3000 297.4452 -183668.2430 -149510.5713 298.5023 -112.6884 -81.4444 558092.3170 -18.3183 -18.3495 PRESSURE: 2742000 -148.852 -38.7219 68.124 -38.7215 -173.278 -7.82992 68.1237 -7.82947 26.1027 GPRESSURE: 2742000 -96.6504 -19.1463 51.3646 -25.6328 -147.622 50.1682 75.4707 -35.4446 46.5659 PRESSAVG: 2742000 75.8368 -7.4729 20.6114 -7.47282 -42.9394 29.7213 20.6114 29.7213 51.0753 GPRESSAVG: 2742000 75.1449 -6.85341 18.3654 -6.87757 -43.0007 30.4123 20.8137 30.426 51.917 TIMING: 2742000 CPU: 8174.84, 0.00298863/step Wall: 8174.84, 0.00298863/step, 1.87454 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: 2742000 745.5675 2061.6376 1932.6987 104.5853 -206426.0653 17684.2973 0.0000 0.0000 34356.7860 -149540.4929 300.0464 -183897.2790 -149441.3438 298.3864 -98.6760 -65.9020 557171.9031 27.9909 28.0204 PRESSURE: 2742200 55.1864 79.5474 -21.8829 79.5478 72.6902 -85.2943 -21.8828 -85.2931 195.538 GPRESSURE: 2742200 123.668 24.2765 2.6691 118.499 50.09 -128.218 -6.29624 -83.5794 254.863 PRESSAVG: 2742200 -36.9006 63.3004 27.3305 63.3004 19.3905 -2.1154 27.3304 -2.11541 28.8118 GPRESSAVG: 2742200 -36.1786 63.8526 29.3449 61.9121 18.8687 -1.8221 27.5748 -3.19098 28.3048 TIMING: 2742200 CPU: 8175.44, 0.00299886/step Wall: 8175.44, 0.00299886/step, 1.88079 hours remaining, 205.226562 MB of memory in use. ENERGY: 2742200 712.0636 2018.1646 1909.8108 107.4647 -206670.7334 18007.4412 0.0000 0.0000 34352.0720 -149563.7164 300.0052 -183915.7885 -149464.3015 298.3149 107.8048 142.8738 556424.7468 3.7673 3.6650 PRESSURE: 2742400 -178.454 50.4166 44.0576 50.4157 -71.2641 128.908 44.058 128.907 194.08 GPRESSURE: 2742400 -122.243 62.7299 -5.29141 39.119 -4.15955 29.9949 61.7258 135.411 190.761 PRESSAVG: 2742400 -36.4467 17.9885 -44.5431 17.9885 -48.6531 -7.17203 -44.543 -7.17217 41.0636 GPRESSAVG: 2742400 -36.5629 19.244 -44.3384 17.309 -48.6203 -8.33248 -42.9011 -8.70605 40.9477 TIMING: 2742400 CPU: 8176.04, 0.00300634/step Wall: 8176.04, 0.00300634/step, 1.88531 hours remaining, 205.226562 MB of memory in use. ENERGY: 2742400 764.6293 2109.8413 1937.0283 113.1288 -206338.2667 17829.4595 0.0000 0.0000 34003.6168 -149580.5628 296.9620 -183584.1796 -149489.4885 297.6833 -18.5458 21.4531 556486.3617 -14.6787 -14.7452 PRESSURE: 2742600 14.8114 167.867 288.072 167.866 35.3629 -64.466 288.07 -64.4664 39.5142 GPRESSURE: 2742600 36.1613 146.107 225.142 154.319 55.2413 -42.7935 323.242 -115.328 96.0889 PRESSAVG: 2742600 -12.9064 -9.12524 8.86829 -9.1252 15.4604 -10.7499 8.86836 -10.7498 10.1876 GPRESSAVG: 2742600 -12.365 -10.2818 8.54433 -8.16866 14.3208 -9.52563 7.56616 -8.50158 9.77268 TIMING: 2742600 CPU: 8176.65, 0.00304003/step Wall: 8176.65, 0.00304003/step, 1.90627 hours remaining, 205.226562 MB of memory in use. ENERGY: 2742600 749.0026 2003.3710 1923.9501 130.0269 -206513.5205 17830.5064 0.0000 0.0000 34145.6472 -149731.0163 298.2024 -183876.6635 -149631.3838 298.2261 29.8962 62.4971 555999.3198 4.2472 3.9095 PRESSURE: 2742800 62.6458 -79.6942 -96.9204 -79.6948 -124.277 -11.7085 -96.9202 -11.7077 -207.263 GPRESSURE: 2742800 85.3605 -89.7955 -123.952 -74.3758 -134.922 -22.1341 -144.762 -13.7034 -121.561 PRESSAVG: 2742800 -34.0599 -7.00894 49.7479 -7.00892 -13.2205 -41.2578 49.7479 -41.2578 28.243 GPRESSAVG: 2742800 -34.2916 -6.78484 49.1923 -7.52873 -13.8593 -40.9996 50.4324 -42.9632 29.2945 TIMING: 2742800 CPU: 8177.25, 0.00301908/step Wall: 8177.25, 0.00301908/step, 1.89296 hours remaining, 205.226562 MB of memory in use. ENERGY: 2742800 739.0629 2072.6631 1941.8095 118.6365 -206483.9955 17893.5067 0.0000 0.0000 34108.2635 -149610.0533 297.8759 -183718.3169 -149518.5876 297.8896 -89.6315 -57.0407 558402.1449 -6.3458 -6.2855 PRESSURE: 2743000 56.61 35.0926 76.685 35.0927 171.647 108.812 76.6857 108.812 -274.318 GPRESSURE: 2743000 91.9802 32.7663 59.9132 71.0466 195.415 79.2213 99.9786 128.628 -250.555 PRESSAVG: 2743000 33.7011 13.1438 -10.4387 13.1439 -27.9256 -5.29418 -10.4386 -5.29423 -0.15526 GPRESSAVG: 2743000 32.5474 12.2447 -10.9598 13.8286 -26.321 -4.63192 -10.0954 -6.26782 -0.855126 TIMING: 2743000 CPU: 8177.85, 0.00300138/step Wall: 8177.85, 0.00300138/step, 1.8817 hours remaining, 205.226562 MB of memory in use. ENERGY: 2743000 757.4782 2092.7494 1931.0257 116.9858 -206145.1287 17671.4799 0.0000 0.0000 34088.5608 -149486.8489 297.7039 -183575.4097 -149389.6598 298.4550 -15.3535 12.2802 556862.4063 1.8734 1.7904 PRESSURE: 2743200 46.705 184.603 80.5085 184.602 47.2005 19.9545 80.507 19.9527 -56.3346 GPRESSURE: 2743200 54.3896 258.823 54.465 181.937 76.2567 21.7456 103 63.1675 -5.58401 PRESSAVG: 2743200 13.0762 18.7056 1.10724 18.7057 -17.9939 -24.9251 1.1072 -24.9253 -11.309 GPRESSAVG: 2743200 14.1654 19.043 2.30235 17.4112 -18.5507 -27.9008 -1.2115 -22.9411 -11.6312 TIMING: 2743200 CPU: 8178.45, 0.00299263/step Wall: 8178.45, 0.00299263/step, 1.87605 hours remaining, 205.226562 MB of memory in use. ENERGY: 2743200 737.9026 2111.3717 1968.5132 115.5887 -206223.0902 17715.0613 0.0000 0.0000 34191.0210 -149383.6316 298.5987 -183574.6526 -149285.4388 298.3601 12.5237 41.6874 556935.0278 -5.4089 -5.3388 PRESSURE: 2743400 -162.728 178.878 129.009 178.878 25.366 289.48 129.009 289.48 141.003 GPRESSURE: 2743400 -125.507 147.839 87.9384 197.977 23.6187 339.219 32.524 171.821 202.589 PRESSAVG: 2743400 -33.1939 8.70116 88.794 8.70111 -8.78726 -22.3202 88.7941 -22.3203 9.3501 GPRESSAVG: 2743400 -33.7342 8.27811 88.3173 9.76913 -9.31306 -22.3854 90.8328 -22.1645 10.5803 TIMING: 2743400 CPU: 8179.05, 0.00300007/step Wall: 8179.05, 0.00300007/step, 1.88054 hours remaining, 205.226562 MB of memory in use. ENERGY: 2743400 778.2673 2097.4840 1923.3604 112.5837 -206713.2006 18112.4936 0.0000 0.0000 34268.6928 -149420.3186 299.2770 -183689.0114 -149318.1376 298.8431 1.2136 33.5671 557080.8130 -10.8770 -10.8223 PRESSURE: 2743600 -215.426 70.6898 114.037 70.6899 -113.383 38.214 114.036 38.2123 -145.583 GPRESSURE: 2743600 -196.996 38.4561 64.1818 154.291 -48.254 11.367 136.028 153.767 -136.365 PRESSAVG: 2743600 -54.983 -4.63044 -23.8477 -4.63043 5.13915 -19.0254 -23.8477 -19.0254 53.8096 GPRESSAVG: 2743600 -54.4817 -3.35026 -21.9251 -4.92493 5.22466 -16.3005 -24.2389 -20.1813 53.1929 TIMING: 2743600 CPU: 8179.65, 0.00301476/step Wall: 8179.65, 0.00301476/step, 1.88958 hours remaining, 205.226562 MB of memory in use. ENERGY: 2743600 726.7671 2099.5250 1925.9020 118.2225 -206103.1820 17566.3694 0.0000 0.0000 34370.1975 -149296.1985 300.1635 -183666.3961 -149196.7382 299.4471 -158.1307 -127.2049 557226.0766 1.3219 1.3119 PRESSURE: 2743800 -111.658 -179.202 55.5693 -179.202 60.6144 -53.6315 55.5694 -53.633 -64.5393 GPRESSURE: 2743800 -54.8693 -229.731 -12.7331 -97.6637 27.9131 -98.1049 47.5258 -65.6446 -0.475809 PRESSAVG: 2743800 -66.1849 -1.66728 12.4869 -1.66733 33.8249 -29.1908 12.4868 -29.1908 12.3108 GPRESSAVG: 2743800 -66.3031 -4.2912 12.3022 -3.37141 34.3217 -31.5434 12.9778 -28.8126 11.0275 TIMING: 2743800 CPU: 8180.25, 0.00300626/step Wall: 8180.25, 0.00300626/step, 1.88409 hours remaining, 205.226562 MB of memory in use. ENERGY: 2743800 698.9340 2059.5994 1951.6072 114.9930 -206112.1727 17744.1092 0.0000 0.0000 34125.7408 -149417.1891 298.0286 -183542.9298 -149318.6826 298.9312 -38.5276 -9.1440 558597.0398 -6.6831 -6.9846 PRESSURE: 2744000 -94.4253 15.0082 163.396 15.008 -60.0736 22.2565 163.397 22.257 -95.2502 GPRESSURE: 2744000 -51.1534 25.1534 104.385 65.2564 -39.3632 -12.0337 144.31 49.1133 -66.7672 PRESSAVG: 2744000 -66.5713 -37.8275 -8.26459 -37.8275 60.112 -0.0206169 -8.26457 -0.0205787 -7.23126 GPRESSAVG: 2744000 -66.8647 -36.3795 -8.54872 -35.9946 59.1554 0.285372 -9.18231 -0.179874 -5.93161 TIMING: 2744000 CPU: 8180.85, 0.00300239/step Wall: 8180.85, 0.00300239/step, 1.88149 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: 2744000 768.6253 2133.0773 1963.5849 117.0248 -206424.2762 17901.1639 0.0000 0.0000 34104.3555 -149436.4444 297.8418 -183540.8000 -149343.7766 298.6965 -83.2497 -52.4279 557770.9347 -4.5635 -4.5470 PRESSURE: 2744200 -99.8219 3.47944 150.814 3.48004 -80.9231 -70.7128 150.812 -70.7127 -222.366 GPRESSURE: 2744200 -111.492 18.7082 199.343 11.523 -58.9254 10.0257 161.48 -78.8167 -131.12 PRESSAVG: 2744200 -61.9168 -51.4361 59.1955 -51.4361 38.4017 -5.42514 59.1955 -5.4252 -9.35848 GPRESSAVG: 2744200 -61.3642 -51.9011 58.289 -50.6365 38.846 -3.94682 60.2941 -7.51347 -10.2795 TIMING: 2744200 CPU: 8181.46, 0.00301421/step Wall: 8181.46, 0.00301422/step, 1.88874 hours remaining, 205.226562 MB of memory in use. ENERGY: 2744200 763.8773 2134.8542 1939.2872 115.3178 -206002.3529 17621.1000 0.0000 0.0000 34070.2965 -149357.6199 297.5444 -183427.9164 -149255.8224 298.3465 -134.3703 -100.5125 557887.8910 -10.9579 -10.9326 LDB: ============= START OF LOAD BALANCING ============== 8184.89 LDB: ============== END OF LOAD BALANCING =============== 8184.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8184.89 LDB: ============= START OF LOAD BALANCING ============== 8185.19 LDB: Largest compute 4821 load 0.029040 is 24.6% of average load 0.118044 LDB: Average compute 0.001745 is 1.5% of average load 0.118044 LDB: TIME 8185.19 LOAD: AVG 0.118044 MAX 0.206378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.227 MB LDB: TIME 8185.19 LOAD: AVG 0.118044 MAX 0.206378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: TIME 8185.19 LOAD: AVG 0.118044 MAX 0.206378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: ============== END OF LOAD BALANCING =============== 8185.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8185.2 PRESSURE: 2744400 -8.69797 72.4892 -183.095 72.4904 56.5917 -52.5666 -183.096 -52.5657 16.5859 GPRESSURE: 2744400 -12.1416 -35.1733 -160.482 89.3036 73.6174 -104.51 -102.764 17.4097 101.959 PRESSAVG: 2744400 28.9464 45.9117 50.2838 45.9116 27.795 -2.64499 50.2837 -2.64484 -62.1525 GPRESSAVG: 2744400 28.5343 46.505 49.4649 45.8322 28.758 -3.23548 52.6486 -1.69651 -62.917 TIMING: 2744400 CPU: 8182.07, 0.00306296/step Wall: 8182.07, 0.00306296/step, 1.91911 hours remaining, 206.000000 MB of memory in use. ENERGY: 2744400 726.2768 2129.1322 1945.8576 124.0830 -206630.0848 17958.2200 0.0000 0.0000 34278.7075 -149467.8077 299.3645 -183746.5152 -149373.6190 298.6364 21.4932 54.4783 558128.5411 -1.8037 -1.8749 PRESSURE: 2744600 -202.446 -128.624 -43.1513 -128.624 0.271501 19.308 -43.1513 19.3082 -281.862 GPRESSURE: 2744600 -186.748 -64.3089 -112.589 -159.958 -2.94351 -18.528 -52.5995 -7.81669 -198.325 PRESSAVG: 2744600 8.05246 -16.997 -7.09626 -16.997 25.0134 7.04688 -7.09626 7.04696 -5.86148 GPRESSAVG: 2744600 6.59881 -17.4562 -6.82711 -17.4441 24.7289 7.24194 -9.23591 8.13224 -4.53643 TIMING: 2744600 CPU: 8182.66, 0.00298081/step Wall: 8182.66, 0.00298081/step, 1.86748 hours remaining, 206.000000 MB of memory in use. ENERGY: 2744600 763.5913 2102.1680 1929.9009 112.2708 -206188.5219 17793.2903 0.0000 0.0000 34017.3756 -149469.9251 297.0822 -183487.3007 -149377.5104 298.7130 -161.3456 -129.3387 556968.4010 9.0681 8.9304 PRESSURE: 2744800 -122.204 32.1869 -51.0438 32.1874 235.076 92.8499 -51.043 92.8502 87.7358 GPRESSURE: 2744800 -124.683 25.5748 -48.7026 105.027 319.425 92.636 -67.7661 102.003 98.0755 PRESSAVG: 2744800 -53.0912 1.29011 19.9017 1.29004 43.4975 41.4712 19.9017 41.4712 -18.0597 GPRESSAVG: 2744800 -52.2676 0.655934 17.9895 1.80718 42.4062 41.2726 21.0055 41.367 -17.9017 TIMING: 2744800 CPU: 8183.26, 0.00299735/step Wall: 8183.26, 0.00299735/step, 1.87767 hours remaining, 206.000000 MB of memory in use. ENERGY: 2744800 706.0104 2131.2393 1918.4044 123.3119 -206489.7972 17849.5264 0.0000 0.0000 34161.7942 -149599.5107 298.3434 -183761.3049 -149503.2497 297.8910 66.8694 97.6056 556659.3130 -9.2178 -9.2544 PRESSURE: 2745000 -92.3842 78.042 66.1867 78.0431 0.456737 13.0573 66.1869 13.0575 211.888 GPRESSURE: 2745000 -100.78 22.8054 108.427 171.732 80.3328 -25.6122 55.3033 -7.46028 238.486 PRESSAVG: 2745000 -56.7541 10.8517 18.3739 10.8517 78.0019 36.135 18.374 36.1348 -1.34617 GPRESSAVG: 2745000 -57.169 11.3453 22.087 8.65825 78.8603 37.2509 15.8414 37.0047 -1.86663 TIMING: 2745000 CPU: 8183.86, 0.00297891/step Wall: 8183.86, 0.00297891/step, 1.86596 hours remaining, 206.000000 MB of memory in use. ENERGY: 2745000 729.5614 2085.9486 1949.8583 114.7490 -206590.4260 17995.8529 0.0000 0.0000 34095.4486 -149619.0073 297.7640 -183714.4559 -149523.9799 298.1160 39.9867 72.6796 557604.9016 6.6339 6.6082 PRESSURE: 2745200 -139.468 -85.0122 -31.3522 -85.011 -117.075 10.4088 -31.3513 10.408 71.2284 GPRESSURE: 2745200 -75.2983 -53.5801 -22.7984 -49.082 -128.484 -81.89 -13.8271 19.2431 105.874 PRESSAVG: 2745200 24.2752 25.4567 1.77887 25.4566 -20.1286 13.1529 1.77878 13.1529 15.0743 GPRESSAVG: 2745200 25.072 24.0876 -1.78855 28.2053 -19.442 11.2153 2.97718 13.5694 13.6968 TIMING: 2745200 CPU: 8184.46, 0.00297903/step Wall: 8184.46, 0.00297903/step, 1.86587 hours remaining, 206.000000 MB of memory in use. ENERGY: 2745200 711.4030 2096.9926 1965.6811 114.1633 -206209.2381 17633.5255 0.0000 0.0000 34002.2864 -149685.1862 296.9504 -183687.4727 -149588.7720 297.9203 -61.7714 -32.6363 555522.7704 6.4070 6.4422 PRESSURE: 2745400 137.497 -89.8637 66.7821 -89.8647 133.384 3.47304 66.7821 3.47308 325.216 GPRESSURE: 2745400 155.331 31.3106 4.11801 -11.5869 168.421 0.749136 116.711 26.6674 370.354 PRESSAVG: 2745400 -3.81188 22.4705 21.3967 22.4705 14.3839 -31.1459 21.3967 -31.146 -55.1621 GPRESSAVG: 2745400 -3.9837 22.7497 25.5872 20.9709 13.0654 -30.2204 18.4763 -31.8522 -53.3545 TIMING: 2745400 CPU: 8185.05, 0.00296904/step Wall: 8185.05, 0.00296904/step, 1.85944 hours remaining, 206.121094 MB of memory in use. ENERGY: 2745400 702.2228 2109.6501 1940.6470 124.1415 -206716.5942 18047.1834 0.0000 0.0000 34053.0429 -149739.7066 297.3937 -183792.7495 -149642.2257 297.1663 198.6991 231.3686 556231.1978 -14.8633 -14.7576 PRESSURE: 2745600 91.7754 -98.1216 -303.172 -98.1222 186.77 -46.9388 -303.171 -46.9398 194.114 GPRESSURE: 2745600 178.702 -78.8918 -247.042 -167.273 244.808 -37.3557 -309.247 -43.7825 145.95 PRESSAVG: 2745600 -65.2992 -13.6861 7.57886 -13.6861 43.9449 -9.35101 7.57891 -9.35094 -15.0887 GPRESSAVG: 2745600 -65.1546 -11.8185 5.26212 -16.3336 44.1892 -8.36979 7.40745 -9.49907 -15.456 TIMING: 2745600 CPU: 8185.64, 0.00296076/step Wall: 8185.64, 0.00296076/step, 1.85409 hours remaining, 206.121094 MB of memory in use. ENERGY: 2745600 723.8832 2100.6924 1930.6715 107.6651 -206520.0108 18131.9751 0.0000 0.0000 33998.7929 -149526.3306 296.9199 -183525.1235 -149428.3453 297.6980 157.5532 189.8197 557580.6263 -12.1477 -12.1405 PRESSURE: 2745800 -14.6437 60.3369 55.615 60.3368 -92.7201 -45.0764 55.616 -45.0772 -205.234 GPRESSURE: 2745800 27.7124 39.1584 49.41 64.5951 -45.9239 -49.4568 31.9707 -32.1075 -184.034 PRESSAVG: 2745800 33.7073 22.5951 30.6853 22.5951 15.693 8.34969 30.6853 8.34969 -48.5174 GPRESSAVG: 2745800 32.8672 22.0951 31.2806 24.1207 15.6663 6.67841 31.2062 8.81729 -47.1158 TIMING: 2745800 CPU: 8186.24, 0.00297202/step Wall: 8186.24, 0.00297202/step, 1.86098 hours remaining, 206.121094 MB of memory in use. ENERGY: 2745800 751.5696 2117.3228 1945.4169 113.8218 -206500.2090 17819.1395 0.0000 0.0000 34229.5824 -149523.3560 298.9355 -183752.9384 -149430.1075 298.2790 -104.1993 -67.4152 556724.2691 0.2943 0.4726 PRESSURE: 2746000 108.635 52.7185 -7.63977 52.7167 -35.1055 38.6267 -7.63857 38.6261 -104.58 GPRESSURE: 2746000 131.811 39.3326 -44.096 57.5976 37.253 63.1959 -56.2032 25.6386 -93.8159 PRESSAVG: 2746000 -21.9896 -41.1164 -17.9911 -41.1163 40.6254 6.81208 -17.9911 6.81203 -15.3396 GPRESSAVG: 2746000 -22.0663 -40.3636 -17.6829 -40.8927 40.5102 6.97179 -18.2245 5.79648 -14.9852 TIMING: 2746000 CPU: 8186.83, 0.00297511/step Wall: 8186.83, 0.00297511/step, 1.86275 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: 2746000 761.1841 2041.4579 1925.3186 117.9843 -206493.7964 18000.7554 0.0000 0.0000 34034.6758 -149612.4204 297.2333 -183647.0962 -149518.1812 297.7565 -10.3500 25.0826 558158.9215 1.0987 1.1529 PRESSURE: 2746200 -46.7143 -30.7718 71.1935 -30.772 -274.045 -52.7203 71.1935 -52.7209 -122.094 GPRESSURE: 2746200 -22.4826 -79.2355 -13.3259 -118.754 -262.713 34.5557 134.385 -118.921 -63.9377 PRESSAVG: 2746200 -26.8964 6.13858 29.7121 6.13857 -16.739 24.5832 29.7122 24.5833 -19.598 GPRESSAVG: 2746200 -25.8541 6.82311 27.4162 5.93157 -17.4636 25.2171 32.0521 24.677 -19.99 TIMING: 2746200 CPU: 8187.43, 0.00299181/step Wall: 8187.43, 0.00299181/step, 1.87304 hours remaining, 206.121094 MB of memory in use. ENERGY: 2746200 741.4178 2135.1584 1910.3703 113.4960 -206273.2401 17735.0545 0.0000 0.0000 34120.4942 -149517.2490 297.9828 -183637.7432 -149425.3211 298.4436 -147.6180 -116.3778 559043.8684 -21.0778 -21.1026 PRESSURE: 2746400 159.139 -65.6004 278.035 -65.6013 100.089 60.6983 278.034 60.6988 -71.2298 GPRESSURE: 2746400 154.562 -72.2818 205.09 -96.0774 131.355 3.44136 203.003 25.9712 -3.74701 PRESSAVG: 2746400 8.04322 8.65008 -16.6925 8.65015 -59.7132 -19.2252 -16.6925 -19.2251 45.5737 GPRESSAVG: 2746400 6.9625 6.22354 -14.8692 10.0672 -60.0387 -21.6691 -19.8291 -17.6942 46.5363 TIMING: 2746400 CPU: 8188.03, 0.00298259/step Wall: 8188.03, 0.00298259/step, 1.8671 hours remaining, 206.121094 MB of memory in use. ENERGY: 2746400 762.9957 2099.7999 1933.4260 112.1021 -206680.9785 18208.2496 0.0000 0.0000 34170.1909 -149394.2144 298.4168 -183564.4053 -149296.0309 298.1468 62.6664 94.0567 557469.7457 -2.0321 -2.1800 PRESSURE: 2746600 104.821 1.84661 129.583 1.84704 -7.003 23.4547 129.584 23.4541 -161.64 GPRESSURE: 2746600 116.91 38.742 224.984 16.488 30.1962 34.5384 41.2316 81.7428 -112.013 PRESSAVG: 2746600 -32.351 6.06191 16.3835 6.06184 98.929 9.0456 16.3834 9.04569 -38.4375 GPRESSAVG: 2746600 -32.4096 6.106 15.5257 7.19136 100.644 11.8531 18.6273 8.15692 -40.064 TIMING: 2746600 CPU: 8188.63, 0.00301423/step Wall: 8188.63, 0.00301423/step, 1.88674 hours remaining, 206.121094 MB of memory in use. ENERGY: 2746600 735.2971 2084.3760 1958.0295 108.4681 -206162.4331 17807.2341 0.0000 0.0000 34189.1831 -149279.8452 298.5826 -183469.0283 -149184.8631 299.3620 -21.2742 11.6976 558183.2200 9.3802 9.3902 PRESSURE: 2746800 -76.5267 122.562 180.928 122.562 -167.713 26.9325 180.928 26.9343 -132.709 GPRESSURE: 2746800 1.53216 129.244 112.551 191.03 -165.581 56.4337 156.478 -7.63819 -98.4966 PRESSAVG: 2746800 -28.5306 -30.6648 9.2231 -30.6648 17.0443 60.8969 9.22316 60.8969 -40.6769 GPRESSAVG: 2746800 -27.787 -29.275 9.49476 -33.8373 15.9572 59.1523 10.2504 59.9103 -39.7089 TIMING: 2746800 CPU: 8189.23, 0.00301877/step Wall: 8189.23, 0.00301877/step, 1.88942 hours remaining, 206.121094 MB of memory in use. ENERGY: 2746800 776.7087 2063.4347 1920.4969 105.8799 -206099.5621 17661.5373 0.0000 0.0000 34194.5905 -149376.9141 298.6299 -183571.5046 -149280.7896 298.9229 -125.6495 -87.5153 557734.6727 -17.3877 -17.1795 PRESSURE: 2747000 291.678 26.2148 -30.1903 26.2158 94.0234 -121.989 -30.1903 -121.988 -3.92748 GPRESSURE: 2747000 255.562 -13.7893 -87.4046 32.3542 132.162 -124.435 53.419 -104.167 92.7241 PRESSAVG: 2747000 59.2612 22.9102 15.3845 22.9102 31.7228 5.66196 15.3845 5.66209 -88.1944 GPRESSAVG: 2747000 57.8854 23.4888 14.8844 24.2249 31.7726 5.8618 13.7306 8.34178 -87.3438 TIMING: 2747000 CPU: 8189.84, 0.00302684/step Wall: 8189.84, 0.00302684/step, 1.8943 hours remaining, 206.121094 MB of memory in use. ENERGY: 2747000 734.9336 2076.7383 1918.8963 103.2840 -206121.2646 17756.1418 0.0000 0.0000 34272.4262 -149258.8444 299.3096 -183531.2707 -149158.0579 298.9043 127.2579 160.1493 555970.4364 0.9299 0.7714 PRESSURE: 2747200 145.101 -11.5847 44.0784 -11.5848 -77.7993 175.474 44.0785 175.474 -63.4897 GPRESSURE: 2747200 154.608 -18.3128 -0.0657359 -11.3471 -99.3275 135.003 153.643 199.542 52.3277 PRESSAVG: 2747200 82.7112 -11.3172 93.8097 -11.3172 -0.809725 39.8186 93.8097 39.8187 -45.9032 GPRESSAVG: 2747200 83.7907 -14.1228 93.6213 -10.6994 -0.328649 40.5125 93.9516 38.5602 -47.5931 TIMING: 2747200 CPU: 8190.44, 0.00299659/step Wall: 8190.44, 0.00299659/step, 1.8752 hours remaining, 206.121094 MB of memory in use. ENERGY: 2747200 740.7671 2109.9269 1926.2894 104.5743 -206205.0008 17873.1340 0.0000 0.0000 34158.4698 -149291.8393 298.3144 -183450.3091 -149200.7760 299.4397 1.2705 35.8696 557082.2161 11.9994 11.9563 PRESSURE: 2747400 -165.46 -48.4253 88.2971 -48.4244 -112.662 -90.4413 88.2973 -90.4419 45.1298 GPRESSURE: 2747400 -93.2247 -50.3104 121.113 -70.4063 -90.3349 -97.0254 95.34 -78.8354 43.2699 PRESSAVG: 2747400 41.4232 -16.7367 -1.44584 -16.7367 -26.3934 33.5654 -1.44588 33.5655 4.036 GPRESSAVG: 2747400 41.5842 -16.6733 0.41494 -15.7012 -26.6947 33.5667 -4.43707 32.9656 4.06718 TIMING: 2747400 CPU: 8191.04, 0.00299437/step Wall: 8191.04, 0.00299437/step, 1.87364 hours remaining, 206.121094 MB of memory in use. ENERGY: 2747400 755.1650 2107.3982 1933.4076 117.3934 -206080.2507 17723.2667 0.0000 0.0000 34135.5207 -149308.0992 298.1140 -183443.6199 -149222.9721 298.7378 -77.6641 -46.7633 558414.6904 6.3553 6.3189 PRESSURE: 2747600 -311.093 68.3139 -3.86803 68.3138 -99.0919 -82.4126 -3.86866 -82.4111 -207.976 GPRESSURE: 2747600 -273.954 2.98225 26.1398 171.701 -91.4696 -97.1021 30.6813 -96.3632 -149.194 PRESSAVG: 2747600 23.5719 1.74769 17.3668 1.74768 48.1513 -28.2297 17.3669 -28.2297 -59.2378 GPRESSAVG: 2747600 23.4672 2.30748 18.6713 0.565152 48.1787 -30.0902 18.3045 -27.3423 -59.566 TIMING: 2747600 CPU: 8191.63, 0.00298803/step Wall: 8191.63, 0.00298803/step, 1.86951 hours remaining, 206.121094 MB of memory in use. ENERGY: 2747600 775.2152 2062.4975 1963.3066 130.7250 -206164.1558 17636.2549 0.0000 0.0000 34342.7285 -149253.4282 299.9236 -183596.1566 -149156.4983 298.7961 -206.0536 -171.5391 559505.1293 4.1618 4.0266 PRESSURE: 2747800 191.008 -29.6102 24.9882 -29.6105 351.466 -195.694 24.9881 -195.693 -4.98868 GPRESSURE: 2747800 198.789 -20.1191 113.708 -22.0637 410.273 -83.0135 -5.04993 -279.465 28.9255 PRESSAVG: 2747800 -68.1332 17.0217 2.1603 17.0216 52.5326 -13.773 2.16024 -13.7731 -25.109 GPRESSAVG: 2747800 -69.1314 17.0693 1.33498 17.4911 51.6188 -10.0433 3.11106 -16.3653 -23.3771 TIMING: 2747800 CPU: 8192.24, 0.00302122/step Wall: 8192.24, 0.00302122/step, 1.89011 hours remaining, 206.121094 MB of memory in use. ENERGY: 2747800 721.4369 2070.7791 1923.4065 119.9168 -206418.6070 18252.3197 0.0000 0.0000 34296.7102 -149034.0376 299.5217 -183330.7479 -148941.0288 299.2348 179.1617 212.6624 559668.2822 -13.5699 -13.6299 PRESSURE: 2748000 91.3317 75.4633 69.0572 75.4633 -248.035 -43.7848 69.0578 -43.7857 -151.318 GPRESSURE: 2748000 112.694 53.163 91.5559 120.783 -175.815 -93.5871 57.69 35.047 -147.104 PRESSAVG: 2748000 16.4488 -56.7752 -15.5447 -56.7751 -0.812395 -54.1993 -15.5447 -54.1992 7.53165 GPRESSAVG: 2748000 17.3845 -56.9772 -19.2889 -57.8581 -0.426602 -58.3054 -12.1674 -50.951 5.66456 TIMING: 2748000 CPU: 8192.84, 0.00303489/step Wall: 8192.84, 0.00303489/step, 1.89849 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: 2748000 744.3512 2080.0843 1922.8921 107.5643 -206032.2498 17919.8162 0.0000 0.0000 34032.9565 -149224.5852 297.2183 -183257.5418 -149127.4010 298.8102 -102.6738 -70.0750 560585.3225 7.7227 7.5408 PRESSURE: 2748200 19.7717 17.3403 136.676 17.3415 -151.984 -7.4332 136.676 -7.43286 -109.758 GPRESSURE: 2748200 -23.8102 19.8791 143.78 18.7193 -114.326 -13.7279 87.1782 -93.1001 -9.0942 PRESSAVG: 2748200 52.052 -18.4024 7.58505 -18.4023 -87.06 -44.1613 7.58508 -44.1613 20.464 GPRESSAVG: 2748200 50.8623 -18.1409 10.8404 -17.2881 -85.6469 -43.4184 3.83247 -45.3039 20.2997 TIMING: 2748200 CPU: 8193.45, 0.00303457/step Wall: 8193.45, 0.00303457/step, 1.89812 hours remaining, 206.121094 MB of memory in use. ENERGY: 2748200 722.7707 2069.3675 1949.5612 116.3509 -206140.3501 17740.3227 0.0000 0.0000 34278.0545 -149263.9226 299.3588 -183541.9770 -149166.2852 298.4798 -80.6568 -49.0769 558594.0473 -4.8480 -4.8283 LDB: ============= START OF LOAD BALANCING ============== 8196.88 LDB: ============== END OF LOAD BALANCING =============== 8196.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8196.89 LDB: ============= START OF LOAD BALANCING ============== 8197.19 LDB: Largest compute 4821 load 0.028186 is 23.9% of average load 0.118055 LDB: Average compute 0.001747 is 1.5% of average load 0.118055 LDB: TIME 8197.19 LOAD: AVG 0.118055 MAX 0.208371 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 8197.19 LOAD: AVG 0.118055 MAX 0.208371 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: TIME 8197.19 LOAD: AVG 0.118055 MAX 0.208371 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8197.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8197.2 PRESSURE: 2748400 9.48277 -219.206 58.8848 -219.205 4.56316 0.312342 58.8857 0.311455 -111.994 GPRESSURE: 2748400 122.415 -313.009 75.1751 -212.853 -28.3382 -31.1293 -37.033 105.558 -88.0312 PRESSAVG: 2748400 4.47135 -38.7137 12.8076 -38.7138 -27.4022 -54.5602 12.8076 -54.5601 -4.0182 GPRESSAVG: 2748400 5.11509 -39.1458 11.1138 -42.6318 -29.2953 -53.1058 14.8884 -55.4625 -3.1888 TIMING: 2748400 CPU: 8194.07, 0.00308311/step Wall: 8194.07, 0.00308311/step, 1.92831 hours remaining, 206.789062 MB of memory in use. ENERGY: 2748400 752.6189 2116.4463 1958.8960 121.1180 -206114.3928 17795.3212 0.0000 0.0000 34231.2382 -149138.7543 298.9499 -183369.9925 -149043.5683 299.5764 -32.6495 2.0151 558343.5013 -8.9830 -9.1230 PRESSURE: 2748600 0.0546017 108.695 -90.8736 108.695 -87.0756 -1.26103 -90.874 -1.26094 -172.236 GPRESSURE: 2748600 -5.93793 44.0794 -57.4704 150.464 -58.0424 67.583 -125.329 -61.4235 -104.464 PRESSAVG: 2748600 -22.4033 -7.98411 -28.5786 -7.9841 20.2686 15.6383 -28.5786 15.6383 32.6189 GPRESSAVG: 2748600 -22.0398 -7.63825 -25.8172 -4.4451 20.7529 15.3963 -32.6139 16.5701 32.0222 TIMING: 2748600 CPU: 8194.67, 0.00301283/step Wall: 8194.67, 0.00301283/step, 1.88419 hours remaining, 206.789062 MB of memory in use. ENERGY: 2748600 765.7217 2064.2608 1954.4908 129.0939 -205855.5342 17716.8304 0.0000 0.0000 34317.7086 -148907.4281 299.7051 -183225.1367 -148817.3865 299.6737 -86.4189 -56.1481 559046.1442 10.1614 10.2451 PRESSURE: 2748800 -86.4438 222.931 247.052 222.93 134.726 44.3631 247.053 44.3633 129.067 GPRESSURE: 2748800 -40.7273 196.293 191.454 212.222 178.054 -7.2234 268.711 127.539 129.226 PRESSAVG: 2748800 32.5759 43.9468 -6.78671 43.9468 -47.6242 -3.40267 -6.78674 -3.40268 -24.2756 GPRESSAVG: 2748800 31.1844 42.4532 -6.66661 45.4727 -46.4723 -3.53092 -6.01495 -2.37147 -24.5284 TIMING: 2748800 CPU: 8195.27, 0.00298719/step Wall: 8195.27, 0.00298719/step, 1.86799 hours remaining, 206.789062 MB of memory in use. ENERGY: 2748800 744.7659 2077.0004 1971.1827 124.8106 -206501.6389 18114.0137 0.0000 0.0000 34358.5206 -149111.3449 300.0615 -183469.8656 -149017.8026 299.9026 59.1163 88.8511 558829.5781 -13.1079 -13.2721 PRESSURE: 2749000 -189.361 32.1104 107.257 32.11 -125.692 46.8934 107.257 46.8946 -221.459 GPRESSURE: 2749000 -152.355 -91.8773 181.689 1.76623 -132.528 115.427 38.1365 33.112 -164.769 PRESSAVG: 2749000 45.5164 6.29527 60.1067 6.29531 -16.2476 11.3179 60.1066 11.3179 -44.2672 GPRESSAVG: 2749000 46.6393 6.27027 57.1857 4.58561 -18.0631 12.0253 62.8402 9.00869 -43.5169 TIMING: 2749000 CPU: 8195.87, 0.002991/step Wall: 8195.87, 0.002991/step, 1.87021 hours remaining, 206.789062 MB of memory in use. ENERGY: 2749000 756.6188 2044.7338 1930.5659 110.9634 -206075.5529 17672.6212 0.0000 0.0000 34388.3437 -149171.7061 300.3220 -183560.0498 -149077.6103 299.2436 -178.8374 -149.8836 559356.0229 -4.9995 -4.9803 PRESSURE: 2749200 200.734 41.3498 59.2139 41.3503 -342.204 67.5716 59.2142 67.5733 -13.6725 GPRESSURE: 2749200 224.268 79.4646 29.2416 1.91871 -291.646 80.0713 103.16 -5.9046 -0.590199 PRESSAVG: 2749200 45.0727 79.2099 44.5944 79.2099 -25.8965 15.9335 44.5944 15.9336 -0.959283 GPRESSAVG: 2749200 45.2692 80.2291 44.0527 79.5653 -26.1269 16.3278 44.4521 16.9164 -1.36544 TIMING: 2749200 CPU: 8196.47, 0.00301035/step Wall: 8196.47, 0.00301035/step, 1.88214 hours remaining, 206.789062 MB of memory in use. ENERGY: 2749200 749.7750 2069.2370 1922.4306 125.2218 -206128.2303 17760.2329 0.0000 0.0000 34323.2760 -149178.0569 299.7537 -183501.3329 -149079.6347 299.3124 -51.7140 -22.6562 557890.0967 6.0723 5.9256 PRESSURE: 2749400 217.605 -225.444 -79.8724 -225.445 59.7074 93.834 -79.8716 93.8342 92.521 GPRESSURE: 2749400 269.712 -254.643 -64.6837 -158.638 77.7728 46.3163 -61.5152 53.0332 117.071 PRESSAVG: 2749400 94.3307 11.2168 43.9176 11.2168 -50.0527 56.338 43.9176 56.3381 1.6195 GPRESSAVG: 2749400 92.7464 10.9491 43.8745 12.0302 -48.7291 56.6857 42.7503 54.571 2.19185 TIMING: 2749400 CPU: 8197.07, 0.00298977/step Wall: 8197.07, 0.00298977/step, 1.8691 hours remaining, 206.789062 MB of memory in use. ENERGY: 2749400 705.4031 2128.7840 1940.5170 112.4295 -206406.0694 17949.4299 0.0000 0.0000 34447.1692 -149122.3367 300.8357 -183569.5059 -149021.4276 299.4361 123.2777 154.8519 557560.1102 15.2992 15.4031 PRESSURE: 2749600 -86.1855 -91.5224 -164.111 -91.5228 245.433 61.174 -164.112 61.1732 -18.2905 GPRESSURE: 2749600 -51.5364 47.0723 -178.99 -138.698 253.123 36.8499 -185.033 74.5568 28.9723 PRESSAVG: 2749600 43.2487 -98.3364 -25.9587 -98.3364 -1.1149 36.2737 -25.9588 36.2736 -4.51625 GPRESSAVG: 2749600 44.124 -97.8422 -25.3814 -97.3317 -1.5505 34.6341 -23.4911 36.7233 -4.211 TIMING: 2749600 CPU: 8197.66, 0.00298601/step Wall: 8197.66, 0.00298601/step, 1.86659 hours remaining, 206.789062 MB of memory in use. ENERGY: 2749600 734.4240 2111.4050 1942.1819 104.5292 -206441.1724 18005.0890 0.0000 0.0000 34312.2728 -149231.2705 299.6576 -183543.5432 -149127.8460 299.5590 46.9857 76.8530 558042.1231 12.5392 12.7875 PRESSURE: 2749800 -33.2605 -74.1791 49.7451 -74.1784 89.8305 127.55 49.7449 127.551 178.017 GPRESSURE: 2749800 27.844 -24.0493 58.1743 -11.8495 139.009 101.063 1.00648 135.413 166.031 PRESSAVG: 2749800 9.76662 -9.20133 38.4558 -9.20124 -7.38928 1.64191 38.4558 1.64193 7.38024 GPRESSAVG: 2749800 9.21034 -8.1682 38.2069 -10.1397 -7.02181 2.21373 36.8268 4.85242 7.04874 TIMING: 2749800 CPU: 8198.26, 0.0030052/step Wall: 8198.26, 0.0030052/step, 1.87842 hours remaining, 206.789062 MB of memory in use. ENERGY: 2749800 769.3653 2102.9180 1943.3923 112.8478 -206590.2189 18112.3311 0.0000 0.0000 34338.6816 -149210.6828 299.8882 -183549.3644 -149115.8889 299.0375 78.1957 110.9614 558005.1290 3.2525 3.0791 PRESSURE: 2750000 -249.436 -59.9165 -78.5144 -59.9152 -39.6262 -2.91533 -78.5149 -2.91665 -196.178 GPRESSURE: 2750000 -213.074 -137.079 -71.7246 -57.2187 2.15379 29.8309 -61.6709 32.1574 -182.548 PRESSAVG: 2750000 20.17 -20.2607 32.1429 -20.2608 29.1155 37.936 32.1429 37.936 -5.99588 GPRESSAVG: 2750000 21.6032 -22.3546 32.2659 -19.1123 28.4015 36.739 32.3141 36.6805 -7.4394 TIMING: 2750000 CPU: 8198.86, 0.00300017/step Wall: 8198.86, 0.00300017/step, 1.87511 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: 2750000 764.6470 2138.2815 1959.2377 114.8485 -206271.6636 17716.5266 0.0000 0.0000 34261.5429 -149316.5793 299.2146 -183578.1223 -149221.3987 297.9609 -161.7467 -131.1559 558959.9283 14.4299 14.1884 PRESSURE: 2750200 -40.8293 150.256 18.7879 150.256 135.237 27.5918 18.7878 27.5921 234.842 GPRESSURE: 2750200 1.09869 158.375 -32.4437 125.581 199.491 -48.3898 43.6576 140.838 234.404 PRESSAVG: 2750200 -53.0319 42.5022 -16.9138 42.5022 39.8171 58.0572 -16.9138 58.0571 -26.3376 GPRESSAVG: 2750200 -53.4891 43.5347 -17.0659 41.3638 40.3514 58.8069 -15.0664 57.9029 -26.2082 TIMING: 2750200 CPU: 8199.46, 0.00298723/step Wall: 8199.46, 0.00298723/step, 1.86685 hours remaining, 206.789062 MB of memory in use. ENERGY: 2750200 719.8827 2129.2734 1944.9994 137.3121 -206343.8795 17953.0308 0.0000 0.0000 34232.0844 -149227.2968 298.9573 -183459.3812 -149136.2946 298.6334 109.7500 144.9980 556917.8244 -13.1842 -13.1153 PRESSURE: 2750400 -169.713 -91.836 -208.743 -91.8347 88.7218 29.3838 -208.743 29.3842 -89.37 GPRESSURE: 2750400 -78.0677 -122.46 -174.975 -44.5868 132.494 25.1154 -316.072 41.3637 -118.926 PRESSAVG: 2750400 -17.9174 61.1738 -53.3468 61.1737 -7.64532 3.8559 -53.3468 3.85589 9.36927 GPRESSAVG: 2750400 -18.35 62.801 -52.1885 59.4281 -7.44573 4.7658 -55.1146 3.07403 9.6465 TIMING: 2750400 CPU: 8200.06, 0.00299286/step Wall: 8200.06, 0.00299286/step, 1.8702 hours remaining, 206.789062 MB of memory in use. ENERGY: 2750400 761.5622 2033.6683 1941.7237 115.8128 -206118.3158 17876.9804 0.0000 0.0000 34287.9268 -149100.6417 299.4450 -183388.5685 -149012.3847 298.9323 -56.7871 -21.5000 558460.0161 -5.3978 -5.3831 PRESSURE: 2750600 177.125 43.9533 -3.11853 43.9535 -26.6466 43.6356 -3.11885 43.6365 167.188 GPRESSURE: 2750600 177.188 44.8502 46.3678 105.846 72.247 26.9719 22.6569 88.9551 168.534 PRESSAVG: 2750600 21.4199 0.875413 -29.6222 0.875373 41.3404 13.0596 -29.6222 13.0595 -51.0301 GPRESSAVG: 2750600 22.6168 -0.106264 -29.0447 2.74763 40.0437 13.65 -30.4632 11.6546 -51.1811 TIMING: 2750600 CPU: 8200.66, 0.00297934/step Wall: 8200.66, 0.00297934/step, 1.86159 hours remaining, 207.027344 MB of memory in use. ENERGY: 2750600 769.2293 2045.5029 1944.3492 122.8609 -206252.7126 18035.3163 0.0000 0.0000 34329.5253 -149005.9287 299.8083 -183335.4540 -148909.1095 299.5861 105.8888 139.3230 557971.0775 3.9101 3.8265 PRESSURE: 2750800 213.985 125.885 -66.4368 125.885 275.209 -233.607 -66.4365 -233.607 120.436 GPRESSURE: 2750800 227.748 105.106 -71.5463 134.153 279.61 -142.637 -97.9317 -248.766 191.505 PRESSAVG: 2750800 -8.91019 5.26371 -5.56024 5.26369 29.7174 14.2762 -5.56027 14.2762 -31.9521 GPRESSAVG: 2750800 -10.3105 2.89592 -5.2973 5.59191 29.3061 14.5412 -3.19349 15.8129 -30.5088 TIMING: 2750800 CPU: 8201.26, 0.00300661/step Wall: 8201.26, 0.00300661/step, 1.87846 hours remaining, 207.027344 MB of memory in use. ENERGY: 2750800 720.4578 2087.2250 1969.5310 111.6159 -206640.3432 18101.8343 0.0000 0.0000 34430.1790 -149219.5002 300.6873 -183649.6793 -149116.0637 299.4062 203.2097 232.9545 556751.7556 -3.7150 -3.8378 PRESSURE: 2751000 79.1197 97.249 35.7225 97.2499 -330.744 1.93478 35.7249 1.93523 94.7585 GPRESSURE: 2751000 135.147 116.161 28.4274 3.95335 -277.697 100.69 22.887 -29.4163 75.3789 PRESSAVG: 2751000 5.04295 28.4178 28.4182 28.4179 8.15773 -20.6565 28.4182 -20.6565 5.67517 GPRESSAVG: 2751000 5.12961 28.0251 28.7746 30.0276 8.3569 -21.1764 27.3066 -20.8027 5.36494 TIMING: 2751000 CPU: 8201.86, 0.00300781/step Wall: 8201.86, 0.00300781/step, 1.87904 hours remaining, 207.027344 MB of memory in use. ENERGY: 2751000 700.0508 2138.7994 1956.6499 114.2364 -206163.8471 17802.8808 0.0000 0.0000 34225.1891 -149226.0407 298.8971 -183451.2298 -149133.6259 299.2365 -52.2885 -22.3904 559935.4333 6.2920 6.2838 PRESSURE: 2751200 14.1066 88.8104 107.749 88.8112 44.4223 -107.853 107.748 -107.852 22.4799 GPRESSURE: 2751200 90.5039 36.7665 97.7903 65.6425 0.96424 -87.8318 144.947 -93.8751 92.0456 PRESSAVG: 2751200 1.66015 28.6474 -36.9693 28.6475 -39.8578 -28.2425 -36.9693 -28.2424 30.1418 GPRESSAVG: 2751200 1.28513 29.4191 -36.0516 27.496 -38.8007 -27.7459 -37.5759 -29.9339 29.525 TIMING: 2751200 CPU: 8202.47, 0.00303267/step Wall: 8202.47, 0.00303267/step, 1.89441 hours remaining, 207.027344 MB of memory in use. ENERGY: 2751200 744.4635 2073.0323 1932.9191 97.2682 -206155.7169 17891.4812 0.0000 0.0000 34235.5468 -149181.0057 298.9875 -183416.5525 -149086.3886 299.5844 27.0030 61.1712 558028.1095 -2.6853 -2.6635 PRESSURE: 2751400 -283.527 79.9209 4.33068 79.9201 -30.5173 101.381 4.33057 101.378 116.507 GPRESSURE: 2751400 -279.722 120.56 -40.077 138.633 4.9057 153.583 -17.51 4.49879 176.408 PRESSAVG: 2751400 12.466 57.1577 -2.68787 57.1578 58.1011 -3.12722 -2.68785 -3.12717 -45.818 GPRESSAVG: 2751400 12.8035 55.9359 -4.70283 58.2655 58.7662 -2.53883 -0.915518 -2.37679 -47.168 TIMING: 2751400 CPU: 8203.08, 0.00305083/step Wall: 8203.08, 0.00305083/step, 1.90558 hours remaining, 207.027344 MB of memory in use. ENERGY: 2751400 766.4832 2094.8434 1949.7975 118.1297 -206422.9853 17839.7527 0.0000 0.0000 34497.0793 -149156.8995 301.2716 -183653.9788 -149055.9661 299.7129 -65.8460 -32.8026 558281.0619 8.2497 8.1339 PRESSURE: 2751600 7.59782 110.294 81.3885 110.295 177.807 -124.674 81.3885 -124.675 282.438 GPRESSURE: 2751600 0.126841 113.391 277.347 65.8616 272.434 -246.277 9.74582 -37.2134 306.695 PRESSAVG: 2751600 61.6467 -2.95615 11.8372 -2.95604 8.51426 27.5159 11.8372 27.516 -25.343 GPRESSAVG: 2751600 61.6615 -0.597382 12.5287 -4.15107 7.66385 26.5995 10.3446 28.8724 -24.0042 TIMING: 2751600 CPU: 8203.68, 0.00299735/step Wall: 8203.68, 0.00299735/step, 1.87201 hours remaining, 207.027344 MB of memory in use. ENERGY: 2751600 744.3083 2111.3494 1920.5719 109.2319 -206466.8731 17984.0638 0.0000 0.0000 34389.8100 -149207.5378 300.3348 -183597.3478 -149111.7771 299.8284 155.9477 193.0851 556623.7670 14.9393 15.1071 PRESSURE: 2751800 -209.784 -41.9375 31.4626 -41.9375 57.8101 -117.941 31.4628 -117.939 -101.653 GPRESSURE: 2751800 -151.657 -109.231 74.3975 -60.2884 50.4121 -143.71 -0.0707773 -63.615 -53.8892 PRESSAVG: 2751800 -13.7932 -30.8603 -17.1013 -30.8603 6.96666 13.1792 -17.1014 13.1791 -1.86598 GPRESSAVG: 2751800 -13.0487 -30.8268 -17.1279 -32.0902 6.63774 11.3846 -16.6845 13.1097 -1.87129 TIMING: 2751800 CPU: 8204.28, 0.00299821/step Wall: 8204.28, 0.00299821/step, 1.87238 hours remaining, 207.027344 MB of memory in use. ENERGY: 2751800 739.5041 2059.0856 1967.9089 125.4743 -205984.3154 17727.8198 0.0000 0.0000 34131.3286 -149233.1941 298.0774 -183364.5226 -149132.8704 299.8690 -84.5422 -51.7113 557678.5940 -2.8975 -2.7608 PRESSURE: 2752000 45.8296 -10.1759 -120.232 -10.1757 22.2976 -56.2446 -120.232 -56.244 -97.3199 GPRESSURE: 2752000 36.5376 32.3812 -131.62 40.3209 109.416 -9.86793 -157.479 -87.9317 -59.8957 PRESSAVG: 2752000 -24.0848 19.6377 -56.4455 19.6377 11.7276 -17.7398 -56.4454 -17.7399 0.544728 GPRESSAVG: 2752000 -26.4788 16.8298 -55.4292 20.9167 14.5794 -16.2336 -56.6739 -18.4551 1.05291 TIMING: 2752000 CPU: 8204.87, 0.00298216/step Wall: 8204.87, 0.00298216/step, 1.86219 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: 2752000 730.0548 2069.9495 1962.9418 119.5011 -206360.8122 17896.2049 0.0000 0.0000 34149.1699 -149432.9902 298.2332 -183582.1601 -149333.5177 298.5808 -9.7309 28.6861 558445.1632 -3.9375 -3.6155 PRESSURE: 2752200 4.1246 13.7446 -17.1519 13.743 30.4299 -100.931 -17.1512 -100.93 -25.6528 GPRESSURE: 2752200 8.36878 -62.8996 44.5996 21.4102 93.1268 -90.8167 -33.6516 -63.4696 4.52077 PRESSAVG: 2752200 1.26771 20.8544 -24.9655 20.8545 18.5433 -12.7655 -24.9656 -12.7655 -15.7999 GPRESSAVG: 2752200 3.42534 21.1303 -24.0238 21.5649 16.5786 -14.3888 -23.3252 -12.4769 -16.0107 TIMING: 2752200 CPU: 8205.47, 0.00301313/step Wall: 8205.47, 0.00301313/step, 1.88137 hours remaining, 207.027344 MB of memory in use. ENERGY: 2752200 767.3724 2107.6760 1961.0642 118.5433 -206566.7537 17926.4719 0.0000 0.0000 34074.3030 -149611.3230 297.5794 -183685.6260 -149520.9075 298.8343 2.9673 35.3388 556790.4268 1.3370 1.3311 LDB: ============= START OF LOAD BALANCING ============== 8208.91 LDB: ============== END OF LOAD BALANCING =============== 8208.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8208.91 LDB: ============= START OF LOAD BALANCING ============== 8209.21 LDB: Largest compute 4821 load 0.028804 is 24.4% of average load 0.118022 LDB: Average compute 0.001740 is 1.5% of average load 0.118022 LDB: TIME 8209.21 LOAD: AVG 0.118022 MAX 0.205429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 8209.21 LOAD: AVG 0.118022 MAX 0.205429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 8209.21 LOAD: AVG 0.118022 MAX 0.205429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8209.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8209.22 PRESSURE: 2752400 -225.828 -74.0576 31.0936 -74.0582 54.4065 -18.6424 31.0932 -18.6428 166.8 GPRESSURE: 2752400 -123.232 -108.351 -42.3063 -115.909 84.5473 -54.1774 13.7322 10.906 136.654 PRESSAVG: 2752400 14.2959 11.9791 -59.5522 11.9791 -31.2264 -11.3917 -59.5523 -11.3916 1.69203 GPRESSAVG: 2752400 13.6098 12.106 -62.3486 12.0878 -29.9806 -11.6485 -59.4444 -10.0766 1.80375 TIMING: 2752400 CPU: 8206.09, 0.00307147/step Wall: 8206.09, 0.00307147/step, 1.91762 hours remaining, 206.710938 MB of memory in use. ENERGY: 2752400 715.6854 2101.9076 1938.5519 115.5855 -206545.3314 17982.6900 0.0000 0.0000 34222.4056 -149468.5054 298.8728 -183690.9110 -149371.7511 298.4018 -1.5406 32.6564 558064.0984 -5.0795 -4.8557 PRESSURE: 2752600 -9.35316 2.4141 14.6316 2.41435 -31.2438 97.8389 14.631 97.8378 -93.7106 GPRESSURE: 2752600 14.8147 59.8116 -87.5142 -69.6544 -5.00038 64.5247 59.4623 186.865 -30.6952 PRESSAVG: 2752600 -73.2594 -33.9125 28.0475 -33.9125 61.516 2.66222 28.0474 2.66224 -4.64199 GPRESSAVG: 2752600 -71.8093 -32.7689 29.2001 -33.8104 60.8553 3.74368 27.5303 2.34674 -5.30136 TIMING: 2752600 CPU: 8206.69, 0.00299106/step Wall: 8206.69, 0.00299106/step, 1.86725 hours remaining, 206.710938 MB of memory in use. ENERGY: 2752600 777.4010 2066.0386 1952.6846 119.7449 -206358.7288 17825.0557 0.0000 0.0000 34307.0439 -149310.7601 299.6119 -183617.8040 -149224.4434 298.6093 -44.7692 -6.9603 556876.4728 -5.4618 -5.4184 PRESSURE: 2752800 15.1141 -56.3602 -31.6728 -56.3597 -174.451 -51.2992 -31.673 -51.2998 422.155 GPRESSURE: 2752800 57.1183 -11.2496 -21.1032 -64.6171 -133.111 -123.281 26.736 -40.8775 426.996 PRESSAVG: 2752800 74.6249 -12.6494 3.84238 -12.6493 0.727332 -4.13538 3.8423 -4.13527 -14.9018 GPRESSAVG: 2752800 73.4842 -12.1433 3.93794 -13.9025 1.36603 -3.79272 3.22673 -4.29884 -14.1694 TIMING: 2752800 CPU: 8207.29, 0.00299679/step Wall: 8207.29, 0.00299679/step, 1.87066 hours remaining, 206.710938 MB of memory in use. ENERGY: 2752800 733.1925 2053.2019 1931.6634 105.1029 -206614.2503 18005.5185 0.0000 0.0000 34373.7736 -149411.7975 300.1947 -183785.5711 -149314.1965 298.7880 87.6059 117.0009 557296.7835 20.1502 20.2270 PRESSURE: 2753000 -392.418 -6.43393 132.75 -6.43405 -26.0522 -107.148 132.75 -107.148 -131.408 GPRESSURE: 2753000 -348.606 -58.53 169.769 58.6607 -45.0535 -88.0007 154.977 -127.935 -63.3534 PRESSAVG: 2753000 -4.95487 -2.16049 51.1446 -2.1605 -11.0807 -1.59918 51.1447 -1.59912 21.1503 GPRESSAVG: 2753000 -4.6341 -2.6182 50.1596 -1.73398 -11.6406 -1.40256 52.5502 -1.65079 21.3592 TIMING: 2753000 CPU: 8207.88, 0.00298908/step Wall: 8207.88, 0.00298908/step, 1.86568 hours remaining, 206.710938 MB of memory in use. ENERGY: 2753000 778.9349 2120.3442 1961.3429 104.7454 -206624.3073 17893.9283 0.0000 0.0000 34174.9514 -149590.0602 298.4584 -183765.0117 -149496.9798 299.2000 -183.2926 -152.3376 558042.5873 1.7049 1.6948 PRESSURE: 2753200 -66.7878 -1.94848 194.933 -1.94801 -263.015 175.359 194.931 175.361 -3.81777 GPRESSURE: 2753200 2.89812 65.7634 154.267 -55.9445 -206.573 117.008 268.298 206.062 -40.0601 PRESSAVG: 2753200 -30.5821 -38.0869 24.255 -38.087 64.0094 6.58143 24.255 6.58149 -24.0742 GPRESSAVG: 2753200 -30.2233 -36.5225 23.1948 -39.3922 64.1896 6.81465 24.754 6.00118 -24.8208 TIMING: 2753200 CPU: 8208.49, 0.00300974/step Wall: 8208.49, 0.00300974/step, 1.87842 hours remaining, 206.710938 MB of memory in use. ENERGY: 2753200 814.8081 2051.1753 1926.2303 103.7266 -206731.1545 17930.2625 0.0000 0.0000 34279.2023 -149625.7494 299.3688 -183904.9517 -149528.3280 298.2908 -111.2068 -81.2451 558461.2212 3.1177 3.0485 PRESSURE: 2753400 -303.952 -25.9578 -122.836 -25.9565 30.6861 51.6393 -122.834 51.6394 -60.547 GPRESSURE: 2753400 -215.847 137.258 -31.4808 -10.2178 16.2286 43.7511 -120.88 -26.2155 -24.0633 PRESSAVG: 2753400 7.61993 -20.6702 43.3251 -20.6701 -30.5189 -12.1509 43.325 -12.1509 -9.67595 GPRESSAVG: 2753400 6.96252 -22.1415 44.3643 -17.6135 -30.7104 -11.9926 42.1752 -10.7746 -8.49192 TIMING: 2753400 CPU: 8209.09, 0.00301142/step Wall: 8209.09, 0.00301142/step, 1.8793 hours remaining, 206.710938 MB of memory in use. ENERGY: 2753400 731.5639 2119.5963 1924.3840 116.1181 -206114.9628 17705.9651 0.0000 0.0000 34031.2087 -149486.1267 297.2030 -183517.3354 -149394.9010 299.0119 -111.2711 -74.5607 558142.5354 -10.8583 -10.7466 PRESSURE: 2753600 -128.942 48.4039 -286.459 48.4046 -204.983 82.643 -286.458 82.6438 -164.687 GPRESSURE: 2753600 -62.9644 92.8201 -271.042 14.5323 -192.195 108.394 -237.506 41.1833 -151.22 PRESSAVG: 2753600 -44.243 5.61835 19.7267 5.61842 4.02636 -18.293 19.7267 -18.2931 24.6197 GPRESSAVG: 2753600 -44.451 5.83607 20.3829 4.94901 5.04614 -19.5009 20.0101 -18.0514 23.9151 TIMING: 2753600 CPU: 8209.68, 0.00298279/step Wall: 8209.68, 0.00298279/step, 1.86126 hours remaining, 206.710938 MB of memory in use. ENERGY: 2753600 725.1890 2053.8377 1944.6730 109.5999 -206349.4151 17689.5229 0.0000 0.0000 34503.1039 -149323.4885 301.3242 -183826.5925 -149224.1472 298.4745 -166.2038 -135.4598 558084.9891 -5.1990 -5.1632 PRESSURE: 2753800 -93.2892 165.556 32.8056 165.556 123.489 22.3491 32.808 22.3495 10.8674 GPRESSURE: 2753800 -75.6541 128.452 -19.7193 101.664 172.702 59.8541 16.8036 77.1376 52.8414 PRESSAVG: 2753800 7.31612 44.1719 -24.4328 44.1719 -44.1903 -12.0844 -24.4328 -12.0844 2.09272 GPRESSAVG: 2753800 7.82545 44.9079 -24.306 44.621 -44.5836 -9.6142 -24.4706 -12.6049 1.60087 TIMING: 2753800 CPU: 8210.29, 0.00301377/step Wall: 8210.29, 0.00301377/step, 1.88043 hours remaining, 206.710938 MB of memory in use. ENERGY: 2753800 762.4195 2083.6034 1909.5214 100.6855 -206321.6207 17773.8317 0.0000 0.0000 34302.4670 -149389.0922 299.5720 -183691.5592 -149293.6476 298.3147 13.6891 49.9630 556175.2543 -11.5938 -11.7191 PRESSURE: 2754000 66.9236 -8.7024 -85.6754 -8.70228 -152.97 108.242 -85.6749 108.24 -262.262 GPRESSURE: 2754000 4.29603 78.6824 -89.8325 -37.493 -55.8485 152.253 -49.8449 -1.9981 -193.31 PRESSAVG: 2754000 -15.9949 75.268 -10.7434 75.268 54.8899 21.5831 -10.7433 21.5832 -35.2956 GPRESSAVG: 2754000 -16.0771 74.2415 -12.8157 73.7798 53.5853 19.0805 -9.77398 21.5685 -34.2741 TIMING: 2754000 CPU: 8210.88, 0.00298371/step Wall: 8210.88, 0.00298371/step, 1.8615 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: 2754000 724.7624 2044.8787 1944.2875 109.3448 -206302.3266 17726.2406 0.0000 0.0000 34410.7616 -149342.0510 300.5177 -183752.8126 -149242.6011 299.2416 -116.1027 -81.6210 558157.9711 1.1998 1.0780 PRESSURE: 2754200 -12.7141 91.3477 203.003 91.3472 -135.547 40.6528 203.003 40.6534 55.1989 GPRESSURE: 2754200 3.28293 81.4304 134.888 19.0327 -97.1997 51.742 267.614 5.74457 87.3433 PRESSAVG: 2754200 -65.9854 22.6133 -56.434 22.6135 -4.60551 48.3027 -56.4341 48.3028 48.942 GPRESSAVG: 2754200 -65.1529 21.2586 -54.0786 20.668 -3.81463 49.4026 -56.1376 49.9264 47.4738 TIMING: 2754200 CPU: 8211.48, 0.00298675/step Wall: 8211.48, 0.00298675/step, 1.86324 hours remaining, 206.710938 MB of memory in use. ENERGY: 2754200 762.9240 2146.8226 1925.9943 111.8625 -206019.8965 17598.4654 0.0000 0.0000 34278.0922 -149195.7356 299.3591 -183473.8278 -149102.7950 299.4849 -31.0209 -2.1911 556005.8803 -7.2163 -7.1646 PRESSURE: 2754400 -20.6863 -45.1291 -6.85876 -45.1297 -40.3918 -70.9635 -6.85899 -70.9616 82.1857 GPRESSURE: 2754400 -20.3171 -41.7 24.6205 -3.61991 3.65275 -77.3283 43.1393 -1.11829 121.599 PRESSAVG: 2754400 9.40399 57.5591 10.6883 57.5591 4.15618 -42.244 10.6884 -42.244 -3.50646 GPRESSAVG: 2754400 8.46699 60.3586 10.4464 58.0644 4.62763 -43.743 7.02039 -42.1787 -3.50962 TIMING: 2754400 CPU: 8212.08, 0.0029683/step Wall: 8212.08, 0.0029683/step, 1.85156 hours remaining, 206.710938 MB of memory in use. ENERGY: 2754400 753.7436 2074.5239 1944.2510 101.9709 -206162.1878 17854.5556 0.0000 0.0000 34181.8760 -149251.2667 298.5188 -183433.1428 -149148.9748 299.4369 7.0359 34.9783 556915.9360 3.3512 3.1950 PRESSURE: 2754600 -87.0257 -68.3405 -45.7254 -68.3405 -107.107 291.319 -45.7248 291.32 158.412 GPRESSURE: 2754600 -91.5673 -22.1104 -61.7019 -42.4718 -27.7812 280.537 -33.5691 241.886 183.462 PRESSAVG: 2754600 -26.9522 34.0287 -1.74695 34.0287 4.04815 18.4658 -1.74691 18.4657 48.2554 GPRESSAVG: 2754600 -26.4763 32.0588 -2.62751 36.6953 2.83764 20.0257 1.94729 16.8743 49.0972 TIMING: 2754600 CPU: 8212.67, 0.00297867/step Wall: 8212.67, 0.00297867/step, 1.85786 hours remaining, 206.710938 MB of memory in use. ENERGY: 2754600 716.4982 2076.7572 1953.8937 102.8286 -206003.9860 17588.4300 0.0000 0.0000 34381.3697 -149184.2087 300.2611 -183565.5783 -149085.3364 299.6676 -11.9069 21.3712 556277.8160 8.4505 8.4862 PRESSURE: 2754800 -213.103 2.61779 134.368 2.61779 -136.309 84.8039 134.368 84.8057 215.216 GPRESSURE: 2754800 -120.54 -101.978 109.687 14.2831 -132.717 151.603 177.608 107.409 207.602 PRESSAVG: 2754800 10.0916 14.9481 -0.70757 14.9482 -2.5388 -18.5795 -0.707479 -18.5795 -30.9393 GPRESSAVG: 2754800 9.61005 15.244 1.14692 13.0837 -1.55263 -16.6077 -3.30969 -19.9509 -31.4585 TIMING: 2754800 CPU: 8213.27, 0.00301409/step Wall: 8213.27, 0.00301409/step, 1.87979 hours remaining, 206.710938 MB of memory in use. ENERGY: 2754800 720.0982 2047.9939 1940.0020 113.6164 -205913.9441 17592.0117 0.0000 0.0000 34231.9642 -149268.2578 298.9563 -183500.2220 -149173.3596 299.2455 -44.7321 -15.2179 557452.5934 -7.7955 -7.8004 PRESSURE: 2755000 -81.8343 19.7172 101.812 19.7185 117.472 -16.3647 101.811 -16.365 8.06569 GPRESSURE: 2755000 -80.6959 50.3941 60.1163 -80.3807 167.854 -27.2526 95.3586 -13.9734 48.783 PRESSAVG: 2755000 -28.02 42.5783 -8.782 42.5784 9.13514 9.82469 -8.78183 9.82463 5.4281 GPRESSAVG: 2755000 -28.9506 43.8181 -9.056 43.4474 8.55316 8.29054 -8.59066 9.9842 7.28298 TIMING: 2755000 CPU: 8213.87, 0.00299478/step Wall: 8213.87, 0.00299478/step, 1.86758 hours remaining, 206.710938 MB of memory in use. ENERGY: 2755000 702.0961 2059.4265 1957.0836 117.5342 -206126.9207 17787.0298 0.0000 0.0000 34366.7687 -149136.9818 300.1335 -183503.7505 -149042.2955 299.6703 14.5679 45.3139 558073.6359 -4.4856 -4.3715 PRESSURE: 2755200 -166.194 -25.4023 -58.2406 -25.4031 -94.8274 0.867427 -58.241 0.867188 -286.868 GPRESSURE: 2755200 -138.772 -111.014 -63.1286 -49.15 -46.8458 12.9425 -81.0045 27.8808 -274.62 PRESSAVG: 2755200 0.743255 -4.70155 -7.70001 -4.70152 37.1418 70.4727 -7.69998 70.4727 -38.2494 GPRESSAVG: 2755200 1.54148 -5.27193 -8.39781 -5.45212 37.6033 69.9049 -7.69458 72.6886 -39.294 TIMING: 2755200 CPU: 8214.47, 0.00298138/step Wall: 8214.47, 0.00298138/step, 1.85905 hours remaining, 206.710938 MB of memory in use. ENERGY: 2755200 738.7262 2089.9920 1979.4019 113.1784 -206035.5130 17623.4303 0.0000 0.0000 34261.0750 -149229.7092 299.2105 -183490.7842 -149134.6447 299.6991 -182.6297 -153.4127 558613.8849 -0.1214 -0.0497 PRESSURE: 2755400 12.3558 46.8905 -96.6247 46.8913 152.011 -32.859 -96.6256 -32.8603 -30.1228 GPRESSURE: 2755400 28.9778 2.78633 -54.5347 13.1326 170.619 -33.1688 -46.5176 -24.0069 37.0609 PRESSAVG: 2755400 -84.3594 -30.4248 -36.9415 -30.4248 40.1013 -12.9428 -36.9415 -12.943 29.1228 GPRESSAVG: 2755400 -83.6701 -30.5054 -37.2251 -32.0814 39.544 -13.1393 -36.117 -14.0091 29.4211 TIMING: 2755400 CPU: 8215.07, 0.0029951/step Wall: 8215.07, 0.0029951/step, 1.86744 hours remaining, 206.710938 MB of memory in use. ENERGY: 2755400 752.5431 2080.8749 1950.5365 109.4903 -206175.4600 17807.3979 0.0000 0.0000 34234.3863 -149240.2310 298.9774 -183474.6173 -149148.7337 299.7005 44.7481 78.8858 556730.2943 -5.0451 -4.9017 PRESSURE: 2755600 31.5837 -15.8995 12.9489 -15.9001 -142.042 64.8696 12.9498 64.8707 -294.961 GPRESSURE: 2755600 63.2448 1.19448 21.8671 -46.8223 -165.494 133.635 -73.9006 68.7834 -205.073 PRESSAVG: 2755600 30.7392 -18.0139 34.8515 -18.0138 -22.6816 -18.7599 34.8515 -18.7599 -19.6465 GPRESSAVG: 2755600 30.4992 -17.7584 35.9902 -16.1421 -21.6112 -18.1921 34.9775 -19.3133 -20.1921 TIMING: 2755600 CPU: 8215.67, 0.0029997/step Wall: 8215.67, 0.0029997/step, 1.87015 hours remaining, 206.710938 MB of memory in use. ENERGY: 2755600 739.2843 2031.1876 1944.9673 105.2645 -206081.0363 17732.6996 0.0000 0.0000 34355.2120 -149172.4209 300.0326 -183527.6329 -149072.2980 299.2856 -135.1397 -102.4406 558118.5894 -3.8630 -3.7680 PRESSURE: 2755800 86.508 169.605 -64.2154 169.607 49.8106 -64.431 -64.215 -64.4301 215.777 GPRESSURE: 2755800 104.103 174.507 -50.8472 159.329 73.5454 37.3138 -52.7091 -156.769 273.149 PRESSAVG: 2755800 -81.3852 2.31084 41.8937 2.31087 14.9575 -37.2089 41.8938 -37.2087 67.119 GPRESSAVG: 2755800 -80.6858 4.04295 40.1236 1.58682 14.4527 -34.9242 41.5717 -37.9715 66.5635 TIMING: 2755800 CPU: 8216.27, 0.00300109/step Wall: 8216.27, 0.00300109/step, 1.87085 hours remaining, 206.710938 MB of memory in use. ENERGY: 2755800 691.0068 2149.3898 1932.0797 122.0327 -206220.7996 17930.7176 0.0000 0.0000 34333.7665 -149061.8065 299.8453 -183395.5730 -148972.3550 299.8811 117.3651 150.2659 556636.2324 0.2305 0.1101 PRESSURE: 2756000 32.4173 28.0233 15.9239 28.0232 258.714 -169.874 15.9227 -169.874 100.453 GPRESSURE: 2756000 80.9964 62.1232 82.2438 24.2256 278.347 -99.6873 -19.0411 -175.174 136.972 PRESSAVG: 2756000 -20.5142 2.14951 60.7551 2.14948 30.1412 -6.87275 60.7552 -6.87263 5.62583 GPRESSAVG: 2756000 -21.4831 0.698572 62.974 4.20025 28.5104 -8.61601 61.1555 -8.43905 8.32797 TIMING: 2756000 CPU: 8216.86, 0.0029774/step Wall: 8216.86, 0.0029774/step, 1.85591 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: 2756000 728.0295 2068.7568 1961.8107 111.7900 -206266.9103 17842.0319 0.0000 0.0000 34429.7484 -149124.7431 300.6836 -183554.4915 -149024.8664 299.9621 130.5279 165.4386 555514.6093 5.0843 5.1184 PRESSURE: 2756200 -199.992 -13.8636 138.497 -13.8653 6.38772 -175.183 138.498 -175.184 68.7158 GPRESSURE: 2756200 -173.739 -2.19492 123.251 -5.29858 4.64799 -190.438 86.0581 -110.597 139.856 PRESSAVG: 2756200 1.57581 -7.66582 59.5628 -7.66589 13.5729 -47.492 59.5628 -47.492 -29.5886 GPRESSAVG: 2756200 1.48917 -9.13656 58.3401 -8.35657 14.943 -49.0399 59.6593 -44.467 -31.4491 TIMING: 2756200 CPU: 8217.46, 0.00298952/step Wall: 8217.46, 0.00298952/step, 1.8633 hours remaining, 206.710938 MB of memory in use. ENERGY: 2756200 713.0757 2016.3595 1933.9692 108.2416 -205738.3252 17525.9933 0.0000 0.0000 34400.1526 -149040.5334 300.4251 -183440.6860 -148940.1160 299.4373 -41.6294 -9.7450 556926.6545 -4.8133 -5.0056 LDB: ============= START OF LOAD BALANCING ============== 8220.89 LDB: ============== END OF LOAD BALANCING =============== 8220.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8220.89 LDB: ============= START OF LOAD BALANCING ============== 8221.2 LDB: Largest compute 4821 load 0.028726 is 24.3% of average load 0.118034 LDB: Average compute 0.001747 is 1.5% of average load 0.118034 Info: useSync: 0 useProxySync: 0 LDB: TIME 8221.2 LOAD: AVG 0.118034 MAX 0.203945 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 8221.2 LOAD: AVG 0.118034 MAX 0.203945 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.578 MB LDB: TIME 8221.2 LOAD: AVG 0.118034 MAX 0.203945 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.578 MB LDB: ============== END OF LOAD BALANCING =============== 8221.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 8221.21 PRESSURE: 2756400 -12.2599 -72.3286 35.2767 -72.3279 141.933 -39.5141 35.2774 -39.5139 -25.6141 GPRESSURE: 2756400 0.155376 -35.568 -17.8016 -116.007 148.538 -94.2267 15.3563 -32.6456 50.2475 PRESSAVG: 2756400 9.0124 9.69931 35.8042 9.69935 5.77419 -0.149968 35.8041 -0.150005 24.0601 GPRESSAVG: 2756400 9.23231 12.4173 36.614 7.84941 5.04783 0.10541 34.9489 -1.1525 24.5307 TIMING: 2756400 CPU: 8218.08, 0.00307017/step Wall: 8218.08, 0.00307017/step, 1.9134 hours remaining, 205.226562 MB of memory in use. ENERGY: 2756400 699.6518 2089.0336 1948.3165 121.9597 -206120.9498 17860.9198 0.0000 0.0000 34177.7517 -149223.3167 298.4828 -183401.0684 -149139.2376 299.2203 34.6864 66.3135 557374.0491 12.9489 12.9370 PRESSURE: 2756600 -69.0965 -27.9597 -115.677 -27.9594 164.748 28.1548 -115.677 28.1547 199.087 GPRESSURE: 2756600 -40.0991 -58.5731 -47.6283 -25.3458 202.47 -22.5077 -62.9971 72.291 231.085 PRESSAVG: 2756600 -45.1501 -13.4925 42.4676 -13.4925 15.6855 -10.596 42.4676 -10.5961 64.295 GPRESSAVG: 2756600 -45.2623 -16.2358 41.2508 -13.0292 15.7934 -12.3367 42.421 -9.26669 64.6944 TIMING: 2756600 CPU: 8218.68, 0.00302145/step Wall: 8218.68, 0.00302145/step, 1.88287 hours remaining, 205.226562 MB of memory in use. ENERGY: 2756600 706.8087 2105.2318 1913.7064 125.6028 -206255.1478 17859.8286 0.0000 0.0000 34456.1072 -149087.8625 300.9138 -183543.9697 -148982.4593 299.4675 98.2462 131.1519 556520.9882 11.6101 11.7418 PRESSURE: 2756800 50.161 -12.9058 -28.8662 -12.9046 -59.9728 -7.4976 -28.8669 -7.49682 -16.2248 GPRESSURE: 2756800 67.0158 22.8253 -19.409 -104.538 -6.82602 94.2714 5.00108 28.8358 27.2134 PRESSAVG: 2756800 1.53735 -26.3866 21.5737 -26.3866 -7.5611 -0.310373 21.5738 -0.310287 65.4365 GPRESSAVG: 2756800 2.6793 -24.1964 22.8858 -26.9014 -6.7876 2.49224 21.9767 -1.09258 63.1924 TIMING: 2756800 CPU: 8219.28, 0.00301019/step Wall: 8219.28, 0.00301019/step, 1.87568 hours remaining, 205.226562 MB of memory in use. ENERGY: 2756800 742.7081 2068.7153 1925.7230 134.5214 -205830.9187 17741.9705 0.0000 0.0000 34176.4154 -149040.8649 298.4711 -183217.2803 -148946.2480 299.7691 -8.6789 29.1344 556968.7823 19.8042 19.6947 PRESSURE: 2757000 38.6573 41.7184 23.0528 41.7174 -204.839 106.481 23.0524 106.481 42.751 GPRESSURE: 2757000 93.1593 -32.0192 42.5658 95.9305 -156.377 90.3344 -44.7337 105.961 27.2148 PRESSAVG: 2757000 11.1977 28.2758 3.58989 28.2758 23.3452 35.498 3.58981 35.4979 -47.2287 GPRESSAVG: 2757000 10.9909 28.0776 2.65422 29.2786 22.8803 33.6304 3.54809 35.5265 -47.2719 TIMING: 2757000 CPU: 8219.88, 0.00300455/step Wall: 8219.88, 0.00300455/step, 1.872 hours remaining, 205.226562 MB of memory in use. ENERGY: 2757000 763.3564 2055.5067 1932.0934 113.0930 -205851.2928 17620.8095 0.0000 0.0000 34349.2883 -149017.1454 299.9809 -183366.4337 -148922.3040 300.2769 -41.1436 -12.0011 557279.9247 -4.2286 -4.4669 PRESSURE: 2757200 -185.463 65.6005 -134.397 65.6005 147.702 16.5891 -134.397 16.5893 -259.474 GPRESSURE: 2757200 -97.7728 108.426 -125.147 -2.27136 88.5972 -17.567 -59.098 -34.235 -194.393 PRESSAVG: 2757200 -52.98 12.1245 19.0617 12.1245 106.214 11.2231 19.0618 11.2231 -58.4004 GPRESSAVG: 2757200 -54.6935 11.6837 17.3976 11.1211 107.4 10.8642 19.7481 11.9228 -58.0672 TIMING: 2757200 CPU: 8220.49, 0.0030141/step Wall: 8220.49, 0.0030141/step, 1.87778 hours remaining, 205.226562 MB of memory in use. ENERGY: 2757200 725.1911 2055.7030 1947.7607 116.6664 -205595.0742 17283.1604 0.0000 0.0000 34551.3793 -148915.2133 301.7458 -183466.5926 -148822.5270 299.7446 -99.0786 -67.8562 555406.7891 -1.7222 -1.7868 PRESSURE: 2757400 46.6319 69.2561 -24.2896 69.2547 272.423 -24.3788 -24.2891 -24.3775 148.673 GPRESSURE: 2757400 161.439 69.6473 4.13398 104.604 294.369 54.8507 -114.262 -34.2489 120.006 PRESSAVG: 2757400 9.28948 -21.1446 -82.5363 -21.1445 88.5063 1.0504 -82.5363 1.0504 -71.4118 GPRESSAVG: 2757400 9.29046 -21.6855 -78.6751 -19.6712 88.4022 4.10959 -85.1961 -0.409752 -71.2269 TIMING: 2757400 CPU: 8221.09, 0.00300468/step Wall: 8221.09, 0.00300468/step, 1.87175 hours remaining, 205.226562 MB of memory in use. ENERGY: 2757400 724.8348 2099.3179 1937.6206 113.4052 -205810.0001 17849.8677 0.0000 0.0000 34215.5240 -148869.4300 298.8127 -183084.9540 -148771.5274 299.5713 155.9091 191.9380 556735.1808 8.7947 8.8219 PRESSURE: 2757600 -81.8358 -68.636 120.666 -68.6364 90.2052 117.979 120.666 117.982 -115.025 GPRESSURE: 2757600 -10.7619 -8.57548 113.156 -40.0217 107.544 183.663 125.411 149.026 -105.981 PRESSAVG: 2757600 24.3914 1.31993 0.787408 1.3199 -5.67199 -2.7239 0.787402 -2.72381 -43.2622 GPRESSAVG: 2757600 24.0379 0.0942951 -2.48883 1.12246 -6.7263 -4.52615 2.24845 -2.40477 -41.5882 TIMING: 2757600 CPU: 8221.69, 0.00302151/step Wall: 8221.69, 0.00302151/step, 1.88206 hours remaining, 205.226562 MB of memory in use. ENERGY: 2757600 767.4778 2081.6348 1937.7615 113.5096 -205955.6857 17715.0220 0.0000 0.0000 34393.2467 -148947.0333 300.3648 -183340.2800 -148848.8615 300.3924 -35.5518 -3.0665 558334.8648 -8.1809 -8.0922 PRESSURE: 2757800 37.6923 57.5597 77.2559 57.5598 -291.464 96.3879 77.2564 96.3864 -156.483 GPRESSURE: 2757800 113.139 36.6139 76.1945 98.2675 -257.592 57.9676 60.4576 185.525 -164.79 PRESSAVG: 2757800 91.8795 -65.3451 12.0667 -65.345 -32.4131 32.7915 12.0667 32.7914 -33.4954 GPRESSAVG: 2757800 93.9871 -63.8844 12.3844 -65.3378 -32.7129 34.2445 12.6587 32.2983 -35.4155 TIMING: 2757800 CPU: 8222.29, 0.00301206/step Wall: 8222.29, 0.00301206/step, 1.87601 hours remaining, 205.226562 MB of memory in use. ENERGY: 2757800 739.0080 2147.3924 1949.4561 111.9974 -205821.5965 17605.0627 0.0000 0.0000 34290.1115 -148978.5685 299.4641 -183268.6799 -148885.3760 300.0112 -136.7515 -103.0807 559630.5085 8.6570 8.6196 PRESSURE: 2758000 20.1619 -76.9178 86.5324 -76.9164 -34.0371 125.065 86.5324 125.066 -40.0616 GPRESSURE: 2758000 19.3533 -81.3567 46.5815 11.5002 -28.0248 151.085 147.889 161.015 41.2854 PRESSAVG: 2758000 10.9047 -68.3939 -33.9183 -68.394 -17.3192 41.1544 -33.9183 41.1543 35.3657 GPRESSAVG: 2758000 10.3432 -69.271 -33.7683 -68.312 -16.9177 39.6594 -33.2914 44.5228 35.7049 TIMING: 2758000 CPU: 8222.89, 0.00299421/step Wall: 8222.89, 0.00299421/step, 1.86473 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: 2758000 729.4044 2119.5935 1946.6255 127.6205 -205733.4920 17708.9437 0.0000 0.0000 34309.3902 -148791.9142 299.6324 -183101.3044 -148694.4098 300.0308 -17.9789 10.8713 558714.4768 9.6504 9.7101 PRESSURE: 2758200 -6.01571 -29.6239 122.763 -29.623 -360.478 98.9807 122.763 98.98 78.3938 GPRESSURE: 2758200 3.89677 -32.1986 135.279 -48.7067 -342.296 79.9982 109.993 0.630955 147.728 PRESSAVG: 2758200 -1.44107 6.19323 2.0397 6.19321 -5.70267 45.3634 2.03972 45.3633 -6.58931 GPRESSAVG: 2758200 -2.12906 3.98495 1.18586 7.68818 -6.30953 45.3453 1.36255 43.5844 -5.55437 TIMING: 2758200 CPU: 8223.5, 0.00302117/step Wall: 8223.5, 0.00302117/step, 1.88135 hours remaining, 205.226562 MB of memory in use. ENERGY: 2758200 728.8899 2139.5062 1943.5210 113.8884 -205684.6702 17511.9548 0.0000 0.0000 34462.6889 -148784.2209 300.9712 -183246.9098 -148691.7867 300.4849 -96.0334 -63.5572 557952.3462 -4.5777 -4.6643 PRESSURE: 2758400 264.455 -159.984 78.4804 -159.985 193.499 -19.5582 78.4803 -19.5598 -62.3412 GPRESSURE: 2758400 312.599 -119.893 108.49 -132.259 153.044 1.48023 64.5806 27.8888 13.441 PRESSAVG: 2758400 12.9208 -67.6751 -1.49782 -67.675 -11.8135 6.05899 -1.49792 6.05896 -32.7877 GPRESSAVG: 2758400 12.2468 -66.6432 -0.653448 -68.326 -12.1727 6.62331 -1.1299 7.2234 -31.9107 TIMING: 2758400 CPU: 8224.1, 0.00301333/step Wall: 8224.1, 0.00301333/step, 1.8763 hours remaining, 205.226562 MB of memory in use. ENERGY: 2758400 756.7215 2096.2461 1941.9344 117.2367 -206382.8712 18059.9142 0.0000 0.0000 34432.1815 -148978.6367 300.7048 -183410.8182 -148881.9474 299.6951 131.8711 159.6947 556910.2538 -10.5601 -10.6122 PRESSURE: 2758600 202.897 43.7566 -121.653 43.7562 132.697 64.8032 -121.653 64.8033 270.925 GPRESSURE: 2758600 309.547 67.3598 -89.6212 15.7673 132.39 18.4922 -90.8902 169.015 259.313 PRESSAVG: 2758600 103.896 -26.3353 11.8637 -26.3352 -46.5409 -16.599 11.8638 -16.5989 -26.531 GPRESSAVG: 2758600 105.041 -25.1734 12.7655 -27.0703 -47.233 -16.934 11.6373 -18.3692 -27.2513 TIMING: 2758600 CPU: 8224.7, 0.00301935/step Wall: 8224.7, 0.00301935/step, 1.87988 hours remaining, 205.226562 MB of memory in use. ENERGY: 2758600 749.7173 2051.2616 1930.1919 107.8904 -206184.9981 17948.0568 0.0000 0.0000 34286.0464 -149111.8336 299.4286 -183397.8800 -149024.1149 299.5552 202.1730 233.7501 556695.7620 10.2747 10.1856 PRESSURE: 2758800 -110.448 -123.126 101.717 -123.126 -99.4798 117.879 101.718 117.88 -99.6341 GPRESSURE: 2758800 -99.617 -135.739 76.2514 -138.446 -77.9125 146.899 130.022 148.126 -36.8459 PRESSAVG: 2758800 13.7441 22.8314 -17.7216 22.8314 -7.34252 53.2103 -17.7215 53.2104 -12.9679 GPRESSAVG: 2758800 12.4394 22.8382 -18.9054 23.696 -6.14908 51.8411 -18.3351 52.6141 -13.339 TIMING: 2758800 CPU: 8225.31, 0.00301891/step Wall: 8225.31, 0.00301891/step, 1.87944 hours remaining, 205.226562 MB of memory in use. ENERGY: 2758800 752.6953 2082.2726 1904.9684 109.0471 -205893.8872 17688.3013 0.0000 0.0000 34491.1583 -148865.4442 301.2199 -183356.6025 -148770.4700 300.6104 -103.1873 -71.4585 557913.0103 -2.1888 -2.3496 PRESSURE: 2759000 42.2988 -16.775 3.86455 -16.7753 42.9689 123.313 3.86411 123.313 -116.012 GPRESSURE: 2759000 19.778 136.994 -103.3 -42.4699 110.228 91.677 67.3258 86.6136 -42.2696 PRESSAVG: 2759000 45.5185 -12.054 -2.69845 -12.0539 -14.5202 -14.0294 -2.69855 -14.0295 -10.3564 GPRESSAVG: 2759000 45.3712 -11.1997 -3.19066 -13.1498 -13.9272 -12.9293 -2.26586 -12.6948 -10.2891 TIMING: 2759000 CPU: 8225.91, 0.00301995/step Wall: 8225.91, 0.00301995/step, 1.87992 hours remaining, 205.226562 MB of memory in use. ENERGY: 2759000 727.8079 2086.5938 1947.6882 106.8507 -206121.5244 17759.2210 0.0000 0.0000 34446.4407 -149046.9221 300.8293 -183493.3628 -148953.1975 300.2462 -10.2480 29.2456 556882.1915 6.8807 7.0517 PRESSURE: 2759200 120.287 -94.3226 177.685 -94.3236 -114.99 -86.1639 177.685 -86.1642 17.7896 GPRESSURE: 2759200 107.14 -110.456 -4.77021 -57.5623 -96.5811 -58.0968 233.018 -134.784 112.578 PRESSAVG: 2759200 -58.7991 11.844 46.7552 11.844 70.5098 -22.8547 46.7552 -22.8548 32.5319 GPRESSAVG: 2759200 -59.0827 11.5825 44.8691 12.6826 71.1282 -24.0525 47.6026 -23.3277 32.3264 TIMING: 2759200 CPU: 8226.51, 0.00300205/step Wall: 8226.51, 0.00300206/step, 1.86861 hours remaining, 205.226562 MB of memory in use. ENERGY: 2759200 730.4116 2104.8470 1943.1819 113.8646 -206233.7928 17838.4553 0.0000 0.0000 34261.6596 -149241.3728 299.2156 -183503.0323 -149143.1958 300.0513 7.6956 41.0456 556458.3400 14.7475 14.7906 PRESSURE: 2759400 15.355 -47.2921 -195.669 -47.2926 57.1638 -19.5215 -195.67 -19.5214 -71.12 GPRESSURE: 2759400 27.8491 -31.5336 -200.787 -57.9136 101.638 -3.79666 -248.565 -128.361 -40.9733 PRESSAVG: 2759400 -51.6646 28.7839 38.4664 28.784 37.3556 22.1625 38.4663 22.1625 29.8331 GPRESSAVG: 2759400 -50.0282 27.2241 40.7096 29.0044 36.2476 25.5274 36.1621 23.4717 28.893 TIMING: 2759400 CPU: 8227.12, 0.00305055/step Wall: 8227.12, 0.00305055/step, 1.89863 hours remaining, 205.226562 MB of memory in use. ENERGY: 2759400 748.5615 2107.2847 1966.4949 118.0630 -206531.3570 17973.1259 0.0000 0.0000 34362.6565 -149255.1705 300.0976 -183617.8269 -149160.5121 298.9404 0.4663 29.5045 557083.3415 5.1747 5.0375 PRESSURE: 2759600 -49.7305 -22.323 -40.7093 -22.3237 54.7785 45.5086 -40.7101 45.5077 -236.729 GPRESSURE: 2759600 -54.2963 15.6006 -112.005 -13.8393 124.244 16.7167 -72.4033 114.828 -187.415 PRESSAVG: 2759600 -9.50826 45.0092 -30.5095 45.0091 73.0816 25.2343 -30.5095 25.2344 -135.014 GPRESSAVG: 2759600 -10.3853 45.7394 -30.7524 45.5844 74.4905 23.6195 -28.1317 24.9394 -135.612 TIMING: 2759600 CPU: 8227.72, 0.00300544/step Wall: 8227.72, 0.00300544/step, 1.87038 hours remaining, 205.226562 MB of memory in use. ENERGY: 2759600 764.1615 2096.7926 1916.3652 107.5319 -206175.1778 17824.1775 0.0000 0.0000 34270.4642 -149195.6850 299.2925 -183466.1492 -149096.2126 299.5505 -77.2269 -39.1560 558619.7464 -23.8134 -23.8355 PRESSURE: 2759800 220.824 14.2185 -96.2018 14.2176 -34.6854 -258.301 -96.2019 -258.302 -143.116 GPRESSURE: 2759800 257.411 -9.4744 -37.1732 -18.6591 4.14161 -303.417 -89.2574 -250.646 -130.371 PRESSAVG: 2759800 -13.6291 9.32611 3.80483 9.32613 63.0891 -13.8636 3.80492 -13.8635 -56.7231 GPRESSAVG: 2759800 -12.3774 11.1709 4.11978 6.84466 61.4115 -15.666 2.14806 -14.929 -55.6099 TIMING: 2759800 CPU: 8228.33, 0.00302161/step Wall: 8228.33, 0.00302161/step, 1.88028 hours remaining, 205.226562 MB of memory in use. ENERGY: 2759800 759.8220 2098.5344 1942.7938 117.6791 -205950.3538 17812.6750 0.0000 0.0000 34046.3180 -149172.5314 297.3350 -183218.8494 -149079.5202 299.3250 14.3409 43.7275 557773.1159 -2.4210 -2.1919 PRESSURE: 2760000 -34.8507 -10.2152 128.248 -10.2145 138.044 -79.0227 128.249 -79.0236 120.155 GPRESSURE: 2760000 -17.048 15.5804 144.945 -20.5388 214.266 -63.3317 182.021 1.18564 118.103 PRESSAVG: 2760000 11.2959 46.7636 36.6359 46.7635 -21.2705 5.69485 36.636 5.69483 1.7879 GPRESSAVG: 2760000 10.0745 46.0471 36.7097 47.3587 -20.3779 8.70263 36.0982 5.77405 1.77778 TIMING: 2760000 CPU: 8228.93, 0.00300926/step Wall: 8228.93, 0.00300926/step, 1.87243 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: 2760000 750.3406 2060.7535 1966.7177 115.2188 -206126.2883 17894.8075 0.0000 0.0000 34240.1863 -149098.2640 299.0281 -183338.4503 -149001.8508 298.5416 74.4492 105.1069 558131.4185 -2.7289 -2.8419 PRESSURE: 2760200 -200.111 -169.558 -53.5673 -169.558 180.679 -156.613 -53.5676 -156.614 -10.4587 GPRESSURE: 2760200 -137.276 -141.723 1.84078 -161.805 169.365 -191.17 -62.1981 -121.495 37.5024 PRESSAVG: 2760200 -49.9716 -6.23694 -43.697 -6.23692 4.91554 4.86736 -43.697 4.86755 3.22028 GPRESSAVG: 2760200 -49.7875 -6.84553 -45.8772 -5.04281 3.91258 7.14518 -42.7006 3.03345 3.31946 TIMING: 2760200 CPU: 8229.53, 0.00300459/step Wall: 8229.53, 0.00300459/step, 1.86936 hours remaining, 205.226562 MB of memory in use. ENERGY: 2760200 743.2886 2050.6688 1913.6256 120.1522 -206167.1144 17864.9540 0.0000 0.0000 34458.4880 -149015.9371 300.9345 -183474.4251 -148919.7234 299.2523 -9.9637 23.1972 557478.6730 -13.9453 -14.1851 LDB: ============= START OF LOAD BALANCING ============== 8232.96 LDB: ============== END OF LOAD BALANCING =============== 8232.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8232.96 LDB: ============= START OF LOAD BALANCING ============== 8233.26 LDB: Largest compute 4821 load 0.028360 is 24.0% of average load 0.117998 LDB: Average compute 0.001758 is 1.5% of average load 0.117998 LDB: TIME 8233.26 LOAD: AVG 0.117998 MAX 0.202056 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.227 MB LDB: TIME 8233.26 LOAD: AVG 0.117998 MAX 0.202056 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: TIME 8233.26 LOAD: AVG 0.117998 MAX 0.202056 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: ============== END OF LOAD BALANCING =============== 8233.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8233.27 PRESSURE: 2760400 -122.265 68.347 0.401922 68.3472 149.003 13.5712 0.40305 13.5703 -1.97898 GPRESSURE: 2760400 -104.342 43.6213 58.1939 76.1131 138.799 -4.74216 -37.9842 15.4185 92.1669 PRESSAVG: 2760400 -8.90941 24.888 -27.4453 24.888 -10.0437 18.2448 -27.4454 18.2448 22.4097 GPRESSAVG: 2760400 -8.51729 23.3483 -27.0611 25.0686 -10.549 13.6603 -25.2096 20.9453 21.8012 TIMING: 2760400 CPU: 8230.14, 0.00303979/step Wall: 8230.14, 0.00303979/step, 1.89109 hours remaining, 207.281250 MB of memory in use. ENERGY: 2760400 753.4385 2085.8982 1925.6630 106.7060 -205976.9843 17868.6981 0.0000 0.0000 34324.3772 -148912.2033 299.7633 -183236.5805 -148821.9092 299.5927 8.2528 42.2079 559187.4534 1.1522 0.9116 PRESSURE: 2760600 -46.1579 -127.208 13.1673 -127.208 -81.5898 94.4645 13.1671 94.4632 -19.3366 GPRESSURE: 2760600 2.99293 -84.9698 -19.9788 -88.866 -50.6581 3.21881 21.4983 166.934 -6.70362 PRESSAVG: 2760600 -34.6657 -14.4734 10.3061 -14.4734 29.3076 13.2176 10.3062 13.2175 -7.53658 GPRESSAVG: 2760600 -34.2466 -12.7614 11.8291 -15.1356 30.5874 13.8015 8.03804 10.5791 -9.12526 TIMING: 2760600 CPU: 8230.73, 0.00297128/step Wall: 8230.73, 0.00297128/step, 1.8483 hours remaining, 207.480469 MB of memory in use. ENERGY: 2760600 796.6857 2081.4735 1953.5860 98.4388 -205944.1219 17679.9603 0.0000 0.0000 34376.0463 -148957.9313 300.2146 -183333.9776 -148867.9528 300.0308 -49.0281 -18.1229 558802.9182 -4.2982 -4.2615 PRESSURE: 2760800 -122.187 52.9524 7.25099 52.9515 -167.455 37.6865 7.25004 37.6846 -270.917 GPRESSURE: 2760800 -75.1137 -44.8978 33.7379 17.1638 -135.618 -18.4837 -13.6984 65.3799 -259.786 PRESSAVG: 2760800 -21.0475 44.7845 21.9539 44.7845 24.3946 45.1827 21.9538 45.1826 -49.9577 GPRESSAVG: 2760800 -22.0194 44.7507 20.4994 45.5242 23.7599 46.0341 21.477 46.4065 -48.8321 TIMING: 2760800 CPU: 8231.33, 0.0029925/step Wall: 8231.33, 0.0029925/step, 1.86133 hours remaining, 207.480469 MB of memory in use. ENERGY: 2760800 754.2278 2037.0718 1937.5262 105.6214 -205970.1881 17636.0459 0.0000 0.0000 34366.3355 -149133.3595 300.1298 -183499.6951 -149031.6545 300.1102 -186.8530 -156.8391 557828.4971 -15.5369 -15.6972 PRESSURE: 2761000 -76.4513 -43.8401 -75.1882 -43.8398 -95.7443 123.313 -75.1877 123.313 -306.262 GPRESSURE: 2761000 -85.0371 13.1775 -177.236 -80.4886 -49.0324 76.8732 6.34465 109.757 -256.16 PRESSAVG: 2761000 -0.954359 6.27221 -41.1845 6.27232 36.3627 -5.93172 -41.1845 -5.93169 -61.6804 GPRESSAVG: 2761000 -1.15477 6.60792 -42.5375 4.85146 36.1271 -6.97783 -41.0673 -5.71902 -61.4923 TIMING: 2761000 CPU: 8231.93, 0.00301095/step Wall: 8231.93, 0.00301095/step, 1.87264 hours remaining, 207.480469 MB of memory in use. ENERGY: 2761000 758.6393 2021.1512 1947.8933 102.5338 -205590.9128 17581.6647 0.0000 0.0000 34109.4716 -149069.5590 297.8865 -183179.0306 -148973.8231 299.5568 -159.4859 -130.0764 558323.9829 -8.7574 -8.8400 PRESSURE: 2761200 -243.226 104.608 33.6679 104.608 -48.3109 17.4622 33.6689 17.4646 27.3653 GPRESSURE: 2761200 -214.744 -6.62493 59.1933 90.293 -34.2597 62.6729 34.6433 -25.1083 71.7269 PRESSAVG: 2761200 -22.8788 -8.12507 25.4289 -8.1251 58.6812 -33.5809 25.4289 -33.5808 -16.0412 GPRESSAVG: 2761200 -24.2455 -9.67245 27.5844 -5.38952 60.9964 -33.961 24.9649 -33.2728 -16.5403 TIMING: 2761200 CPU: 8232.53, 0.00300651/step Wall: 8232.53, 0.00300651/step, 1.86971 hours remaining, 207.480469 MB of memory in use. ENERGY: 2761200 756.4380 2007.6194 1981.7773 116.6810 -205975.7093 17798.3414 0.0000 0.0000 34166.9156 -149147.9366 298.3882 -183314.8522 -149043.7462 299.8925 -88.0571 -59.0922 558116.6052 6.5871 6.7369 PRESSURE: 2761400 324.608 84.3842 -235.042 84.3856 -20.5106 -109.71 -235.043 -109.708 -148.328 GPRESSURE: 2761400 323.849 73.843 -234.647 61.6662 19.6534 -146.491 -206.877 -92.1777 -95.0276 PRESSAVG: 2761400 18.8508 28.0802 -26.6679 28.0802 -25.7448 23.882 -26.6679 23.8819 -30.8158 GPRESSAVG: 2761400 20.0881 29.0867 -26.872 25.5217 -27.6423 21.4351 -28.0774 25.5261 -29.9062 TIMING: 2761400 CPU: 8233.14, 0.00300844/step Wall: 8233.14, 0.00300844/step, 1.87075 hours remaining, 207.480469 MB of memory in use. ENERGY: 2761400 752.3437 1990.3165 1948.2844 128.0033 -206184.8549 17933.2947 0.0000 0.0000 34349.6201 -149082.9922 299.9838 -183432.6123 -148984.1024 298.9068 51.9231 82.8250 557563.8069 -12.5699 -12.4868 PRESSURE: 2761600 60.5191 199.422 87.0641 199.422 250.041 78.3538 87.064 78.3533 150.034 GPRESSURE: 2761600 140.252 214.845 119.799 235.866 318.834 36.7777 3.22 56.9918 94.4075 PRESSAVG: 2761600 28.4491 55.0987 -1.17272 55.0987 9.79058 3.25605 -1.17274 3.25601 -29.9235 GPRESSAVG: 2761600 28.4642 55.1836 -2.31234 54.8948 9.96938 2.14024 2.35276 1.50044 -30.89 TIMING: 2761600 CPU: 8233.74, 0.00300627/step Wall: 8233.74, 0.00300627/step, 1.86923 hours remaining, 207.480469 MB of memory in use. ENERGY: 2761600 724.0907 2127.7730 1916.7301 109.6377 -206136.2356 18025.0211 0.0000 0.0000 34035.8034 -149197.1795 297.2431 -183232.9829 -149109.8497 299.0923 153.5311 184.4980 557848.8567 2.7720 2.5145 PRESSURE: 2761800 64.0514 122.765 -130.636 122.764 -16.4759 216.886 -130.636 216.886 151.072 GPRESSURE: 2761800 148.629 88.9756 -214.006 103.199 -9.15438 246.398 -64.8851 159.835 157.588 PRESSAVG: 2761800 -19.5548 54.6018 -23.4194 54.6018 37.8807 28.3285 -23.4193 28.3285 -46.7341 GPRESSAVG: 2761800 -19.2585 53.5431 -22.5298 55.2084 36.6365 31.2153 -26.2118 27.7481 -45.8415 TIMING: 2761800 CPU: 8234.34, 0.0029964/step Wall: 8234.34, 0.0029964/step, 1.86293 hours remaining, 207.480469 MB of memory in use. ENERGY: 2761800 754.5910 2088.8345 1934.1335 101.9140 -206638.4760 18186.1341 0.0000 0.0000 34325.4969 -149247.3720 299.7731 -183572.8689 -149153.8140 298.9265 66.2159 99.0209 559010.4786 -9.4694 -9.4878 PRESSURE: 2762000 -196.802 -88.8094 -19.6939 -88.8093 -288.198 101.461 -19.695 101.46 -82.9219 GPRESSURE: 2762000 -143.899 -125.569 -85.6927 -54.6094 -250.253 83.0226 33.0984 31.1557 -78.4869 PRESSAVG: 2762000 -21.3008 0.347146 -8.20806 0.347245 23.7548 5.70889 -8.20805 5.70893 12.6983 GPRESSAVG: 2762000 -22.004 1.28624 -7.51205 1.31284 24.4906 4.32734 -8.27322 7.22182 12.6281 TIMING: 2762000 CPU: 8234.93, 0.00298683/step Wall: 8234.93, 0.00298683/step, 1.85682 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: 2762000 718.4879 2087.4349 1923.5386 104.7655 -205904.3886 17561.3598 0.0000 0.0000 34320.6796 -149188.1223 299.7310 -183508.8019 -149087.4842 299.0533 -189.3076 -157.5461 559683.5832 5.0508 5.0382 PRESSURE: 2762200 59.7558 57.0401 13.4854 57.041 17.1646 65.3123 13.4848 65.3111 -159.36 GPRESSURE: 2762200 2.50902 -2.9477 -33.115 54.8944 101.515 126.099 -34.7329 -43.3922 -101.949 PRESSAVG: 2762200 -45.0452 25.6273 -25.8381 25.6273 28.6897 6.57903 -25.838 6.57913 56.4079 GPRESSAVG: 2762200 -43.6128 25.289 -25.7231 25.218 29.1018 7.47524 -24.865 4.47181 55.055 TIMING: 2762200 CPU: 8235.53, 0.00300695/step Wall: 8235.53, 0.00300695/step, 1.86915 hours remaining, 207.480469 MB of memory in use. ENERGY: 2762200 749.7711 2105.0925 1933.1634 104.5827 -205920.1426 17689.1936 0.0000 0.0000 34283.8435 -149054.4958 299.4093 -183338.3392 -148953.6361 299.0982 -27.4797 0.6916 558900.0146 13.3508 13.5147 PRESSURE: 2762400 170.514 41.5825 53.7759 41.5827 -76.5017 -76.7712 53.7752 -76.7726 -174.951 GPRESSURE: 2762400 160.269 78.7597 119.916 -20.6352 -21.9474 -4.21105 -24.2596 -154.11 -135.042 PRESSAVG: 2762400 4.83815 15.9677 -49.3357 15.9677 -13.619 -7.99255 -49.3356 -7.99251 54.8938 GPRESSAVG: 2762400 4.84031 15.4683 -50.2232 15.2847 -14.005 -6.80343 -48.5268 -8.74838 55.6605 TIMING: 2762400 CPU: 8236.14, 0.00301488/step Wall: 8236.14, 0.00301488/step, 1.87391 hours remaining, 207.480469 MB of memory in use. ENERGY: 2762400 731.0504 2100.9889 1949.8562 104.3444 -205897.0373 17680.9290 0.0000 0.0000 34270.7628 -149059.1057 299.2951 -183329.8685 -148962.4764 299.8916 -26.9796 1.0935 558773.9062 15.3710 15.4986 PRESSURE: 2762600 127.673 -114.559 92.4545 -114.559 -86.8911 89.266 92.4533 89.2666 127.976 GPRESSURE: 2762600 140.56 -88.3258 53.9822 -58.7871 -10.4172 190.642 83.3396 68.5419 142.441 PRESSAVG: 2762600 0.39579 -32.323 27.9185 -32.3229 -29.3698 24.7867 27.9185 24.7868 29.547 GPRESSAVG: 2762600 0.078644 -30.6585 29.5272 -32.2993 -29.6065 24.0251 25.7404 24.3745 30.289 TIMING: 2762600 CPU: 8236.74, 0.00301329/step Wall: 8236.74, 0.00301329/step, 1.87276 hours remaining, 207.480469 MB of memory in use. ENERGY: 2762600 749.6783 2091.5355 1953.8507 113.7337 -206020.8181 17926.8742 0.0000 0.0000 34290.5056 -148894.6402 299.4675 -183185.1458 -148798.5730 299.5420 56.2528 90.8613 559133.7608 0.1910 0.2537 PRESSURE: 2762800 64.5378 16.6902 -105.591 16.6907 -53.4038 72.9489 -105.592 72.9473 -170.625 GPRESSURE: 2762800 132.231 14.7742 -105.94 -14.1922 -48.568 53.0471 -119.341 141.393 -144.93 PRESSAVG: 2762800 31.6607 4.75526 -33.2587 4.75521 -31.9555 10.7171 -33.2587 10.7171 -39.3462 GPRESSAVG: 2762800 31.6752 3.93281 -34.1897 5.2534 -30.641 10.6169 -32.5807 12.2328 -40.5927 TIMING: 2762800 CPU: 8237.34, 0.00299541/step Wall: 8237.34, 0.00299541/step, 1.86148 hours remaining, 207.480469 MB of memory in use. ENERGY: 2762800 744.7349 2115.1376 1919.1337 105.6560 -205973.6276 17845.6767 0.0000 0.0000 34177.0140 -149066.2747 298.4764 -183243.2888 -148970.5278 299.0329 -53.1638 -20.4222 560126.8992 -13.2137 -13.1862 PRESSURE: 2763000 -233.077 -127.527 80.3687 -127.528 -108.635 30.8361 80.3695 30.8352 80.0761 GPRESSURE: 2763000 -176.229 -85.8762 54.9895 -96.8759 -61.5762 8.52903 128.657 39.7109 68.6415 PRESSAVG: 2763000 23.9111 -1.29178 29.356 -1.29184 -39.0632 -41.651 29.3559 -41.651 15.3663 GPRESSAVG: 2763000 23.6976 -1.92667 28.9159 -0.231111 -39.2486 -41.6998 31.717 -42.2591 16.0489 TIMING: 2763000 CPU: 8237.94, 0.00299849/step Wall: 8237.94, 0.00299849/step, 1.86323 hours remaining, 207.480469 MB of memory in use. ENERGY: 2763000 721.8831 2064.4891 1961.7403 104.9641 -205858.1808 17631.8218 0.0000 0.0000 34191.6359 -149181.6464 298.6041 -183373.2823 -149085.6933 298.6103 -87.2121 -56.3879 558272.9979 0.0714 0.1660 PRESSURE: 2763200 19.2901 -106.463 -80.6504 -106.465 -299.278 203.407 -80.65 203.406 366.246 GPRESSURE: 2763200 98.4074 -115.452 -195.78 -124.277 -266.963 282.475 -39.5695 232.316 353.467 PRESSAVG: 2763200 -46.943 -0.931047 3.8608 -0.931037 -37.5595 53.1789 3.86088 53.179 45.1474 GPRESSAVG: 2763200 -47.3279 -1.53615 3.67386 -2.17287 -38.0464 54.111 4.36093 53.3979 45.685 TIMING: 2763200 CPU: 8238.54, 0.0029952/step Wall: 8238.54, 0.0029952/step, 1.86102 hours remaining, 207.480469 MB of memory in use. ENERGY: 2763200 775.0593 2068.0352 1950.1836 101.0862 -205967.9631 17816.1919 0.0000 0.0000 34133.8120 -149123.5949 298.0991 -183257.4069 -149035.5929 299.3125 28.7529 61.6373 557192.1007 -13.1184 -13.2298 PRESSURE: 2763400 -74.1588 -116.967 -17.8289 -116.969 -253.589 -126.579 -17.8304 -126.58 114.403 GPRESSURE: 2763400 -7.73153 -50.1328 -39.4529 -167.379 -188.458 -84.5317 -31.2692 -115.154 78.0572 PRESSAVG: 2763400 12.3437 -45.2083 7.43688 -45.2084 -59.1189 20.8101 7.43686 20.81 9.62508 GPRESSAVG: 2763400 13.4241 -43.4976 7.84468 -45.1658 -59.4099 21.5287 3.88574 20.2757 8.73422 TIMING: 2763400 CPU: 8239.14, 0.00300065/step Wall: 8239.14, 0.00300065/step, 1.86424 hours remaining, 207.480469 MB of memory in use. ENERGY: 2763400 726.1441 2085.0080 1957.8077 114.5613 -205817.8711 17542.4788 0.0000 0.0000 34360.3499 -149031.5214 300.0775 -183391.8713 -148938.2765 299.2573 -71.1147 -39.3775 555288.1937 -12.3834 -12.4172 PRESSURE: 2763600 -9.54577 -62.6119 -28.597 -62.6124 87.2265 70.4016 -28.5972 70.4022 -93.3959 GPRESSURE: 2763600 -55.0721 -118.786 22.3189 52.9392 182.526 36.7507 -59.2333 93.7476 -57.9373 PRESSAVG: 2763600 22.013 13.4912 -23.6539 13.4911 -81.7793 -9.4101 -23.654 -9.41 32.4768 GPRESSAVG: 2763600 21.6025 11.0544 -25.8972 14.8058 -81.2811 -10.1608 -19.5904 -9.36717 32.0976 TIMING: 2763600 CPU: 8239.74, 0.00301813/step Wall: 8239.74, 0.00301813/step, 1.87493 hours remaining, 207.480469 MB of memory in use. ENERGY: 2763600 750.4656 2078.0612 1938.5556 112.0442 -205750.6325 17632.7495 0.0000 0.0000 34429.1788 -148809.5775 300.6786 -183238.7563 -148720.4457 300.0749 -5.2384 23.1721 556827.0110 -9.0965 -9.1937 PRESSURE: 2763800 339.018 -45.636 -48.1758 -45.6353 378.191 150.846 -48.1755 150.847 56.6164 GPRESSURE: 2763800 374.215 -39.5621 -33.3095 -133.667 423.85 84.6575 -26.4569 204.835 80.6676 PRESSAVG: 2763800 34.0424 -28.3033 -23.7761 -28.3033 -81.923 9.36564 -23.7761 9.36561 1.18508 GPRESSAVG: 2763800 33.915 -27.93 -21.4732 -28.1224 -83.2956 9.33889 -25.425 10.1774 2.55808 TIMING: 2763800 CPU: 8240.34, 0.0030145/step Wall: 8240.34, 0.0030145/step, 1.87251 hours remaining, 207.480469 MB of memory in use. ENERGY: 2763800 720.0413 2128.3743 1947.6571 114.5153 -206528.0302 18183.6825 0.0000 0.0000 34459.6486 -148974.1111 300.9447 -183433.7597 -148879.1253 300.0039 257.9416 292.9108 555234.4788 -15.5651 -15.6075 PRESSURE: 2764000 388.577 -33.681 65.6517 -33.6811 471.888 -2.01785 65.6527 -2.02019 384.888 GPRESSURE: 2764000 381.711 -14.8311 23.358 -52.3174 499.378 11.6925 47.7625 42.5846 457.185 PRESSAVG: 2764000 -16.0262 -33.1841 8.50739 -33.1842 -56.9627 -26.1254 8.50744 -26.1252 79.5443 GPRESSAVG: 2764000 -14.9701 -31.9627 8.37032 -35.6741 -56.7684 -24.9942 8.60274 -26.7753 78.292 TIMING: 2764000 CPU: 8240.94, 0.00299502/step Wall: 8240.94, 0.00299502/step, 1.86024 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: 2764000 760.9215 2106.7068 1966.7244 113.6265 -206344.3165 18317.7974 0.0000 0.0000 34280.7799 -148797.7601 299.3826 -183078.5400 -148703.9589 300.1457 415.1175 446.0913 555158.0187 2.1852 2.1845 PRESSURE: 2764200 -64.817 -104.213 23.5917 -104.214 -201.128 -140.498 23.5907 -140.498 -267.463 GPRESSURE: 2764200 -30.6685 -85.1336 -32.8117 -89.608 -156.57 -129.935 41.8269 -201.483 -257.163 PRESSAVG: 2764200 51.6541 -27.0586 -12.079 -27.0585 6.20294 -6.39147 -12.079 -6.39139 -41.2188 GPRESSAVG: 2764200 50.9503 -26.1413 -10.7055 -26.1554 7.51208 -9.20414 -12.6814 -6.07093 -41.645 TIMING: 2764200 CPU: 8241.54, 0.00300102/step Wall: 8241.54, 0.00300102/step, 1.8638 hours remaining, 207.480469 MB of memory in use. ENERGY: 2764200 822.6668 2065.9285 1955.7318 120.7269 -205643.8625 17516.9066 0.0000 0.0000 34355.7889 -148806.1131 300.0376 -183161.9020 -148705.4659 301.0725 -177.8026 -148.1336 558496.6402 5.5461 5.6058 LDB: ============= START OF LOAD BALANCING ============== 8244.97 LDB: ============== END OF LOAD BALANCING =============== 8244.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8244.97 LDB: ============= START OF LOAD BALANCING ============== 8245.27 LDB: Largest compute 4821 load 0.026041 is 22.1% of average load 0.117936 LDB: Average compute 0.001754 is 1.5% of average load 0.117936 LDB: TIME 8245.28 LOAD: AVG 0.117936 MAX 0.206787 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 8245.28 LOAD: AVG 0.117936 MAX 0.206787 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: TIME 8245.28 LOAD: AVG 0.117936 MAX 0.206787 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8245.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8245.28 PRESSURE: 2764400 31.423 106.05 -53.4554 106.049 -328.628 172.201 -53.4548 172.2 166.647 GPRESSURE: 2764400 -16.7592 157.267 53.7723 105.767 -250.774 115.489 -35.7342 113.717 220.637 PRESSAVG: 2764400 50.1673 14.8827 3.6171 14.8827 -34.2887 22.0475 3.61707 22.0476 -31.6094 GPRESSAVG: 2764400 50.0222 13.4479 3.71768 15.5594 -35.7676 21.9576 3.28965 21.8701 -30.2798 TIMING: 2764400 CPU: 8242.15, 0.00305164/step Wall: 8242.15, 0.00305164/step, 1.89507 hours remaining, 206.710938 MB of memory in use. ENERGY: 2764400 741.9674 2088.7375 1965.5811 105.4393 -205934.5417 17722.4397 0.0000 0.0000 34540.6223 -148769.7545 301.6518 -183310.3767 -148668.0312 300.7537 -43.5194 -15.6319 558189.2543 -5.2436 -5.3417 PRESSURE: 2764600 77.6027 113.484 10.7893 113.482 -24.2358 41.5719 10.789 41.5717 217.618 GPRESSURE: 2764600 87.1284 147.361 -62.4732 113.009 37.0729 47.6642 37.4853 -48.1331 252.527 PRESSAVG: 2764600 -25.6364 -27.8791 -7.03225 -27.8791 17.6801 21.9002 -7.03217 21.9001 23.5955 GPRESSAVG: 2764600 -26.3011 -24.2452 -8.73769 -27.6093 18.7163 23.6424 -6.70827 22.4899 23.7616 TIMING: 2764600 CPU: 8242.76, 0.00301288/step Wall: 8242.76, 0.00301288/step, 1.87083 hours remaining, 206.710938 MB of memory in use. ENERGY: 2764600 758.9414 2061.7419 1950.8793 118.5516 -206158.4849 17942.0188 0.0000 0.0000 34403.5671 -148922.7848 300.4549 -183326.3519 -148828.4616 300.5028 90.3285 125.5762 557286.5250 5.2131 5.3923 PRESSURE: 2764800 -120.681 -12.5251 171.522 -12.5235 -14.6514 -21.9262 171.522 -21.9262 130.539 GPRESSURE: 2764800 -110.578 -64.2708 163.546 -0.804664 70.9562 -62.8359 163.778 -1.64132 131.992 PRESSAVG: 2764800 13.6217 61.9781 -2.61442 61.9781 31.4234 53.711 -2.61445 53.7109 -64.4826 GPRESSAVG: 2764800 15.6399 58.8337 -1.23879 60.9296 31.2995 54.0646 -2.59877 51.796 -66.2793 TIMING: 2764800 CPU: 8243.36, 0.00300653/step Wall: 8243.36, 0.00300653/step, 1.86672 hours remaining, 206.710938 MB of memory in use. ENERGY: 2764800 743.1397 2119.4275 1949.9220 99.0248 -206077.5072 17827.8496 0.0000 0.0000 34438.3260 -148899.8176 300.7585 -183338.1436 -148802.4173 299.9150 -1.5977 30.7899 558751.0805 -6.4792 -6.4466 PRESSURE: 2765000 37.7847 -146.764 -85.2877 -146.764 61.0052 -11.038 -85.2873 -11.039 -22.4951 GPRESSURE: 2765000 93.6107 -155.11 -48.0301 -190.303 108.053 23.3728 -212.493 43.6257 -26.8975 PRESSAVG: 2765000 1.08243 2.03117 1.66346 2.03113 43.0888 1.79617 1.66353 1.79625 -56.5281 GPRESSAVG: 2765000 0.262944 2.63427 0.109285 3.448 43.7836 0.975493 -0.756105 3.26354 -56.1996 TIMING: 2765000 CPU: 8243.96, 0.00302834/step Wall: 8243.96, 0.00302834/step, 1.8801 hours remaining, 206.710938 MB of memory in use. ENERGY: 2765000 725.5797 2068.8316 1937.5467 121.0097 -206122.2680 17958.9974 0.0000 0.0000 34420.5468 -148889.7561 300.6032 -183310.3028 -148794.2993 299.4924 25.4316 58.2553 558707.0716 -4.1190 -4.0510 PRESSURE: 2765200 6.08945 -110.053 152.259 -110.054 -65.7729 -2.03274 152.259 -2.03116 -39.5962 GPRESSURE: 2765200 35.9729 -16.0256 137.047 -129.865 -50.8762 -36.338 103.653 49.8526 8.21806 PRESSAVG: 2765200 14.8691 -30.7751 5.77543 -30.7752 7.41229 -25.1061 5.77547 -25.106 10.1731 GPRESSAVG: 2765200 14.7732 -30.3079 4.99089 -31.3835 6.04977 -24.3179 9.01971 -23.4364 11.1619 TIMING: 2765200 CPU: 8244.57, 0.00301688/step Wall: 8244.57, 0.00301688/step, 1.87281 hours remaining, 206.710938 MB of memory in use. ENERGY: 2765200 741.1184 2115.2683 1937.1925 118.3271 -206082.4664 17797.8625 0.0000 0.0000 34362.7788 -149009.9188 300.0987 -183372.6976 -148909.4235 300.2853 -33.0932 -2.2284 558737.1281 10.8182 10.6616 PRESSURE: 2765400 -4.09139 -13.3448 -17.4324 -13.3443 138.537 -46.152 -17.4325 -46.1512 206.883 GPRESSURE: 2765400 70.1281 -0.625957 27.8373 -56.6962 144.699 -67.3974 -2.24406 -55.981 221.489 PRESSAVG: 2765400 56.8963 -18.0157 16.3311 -18.0156 -83.0991 -19.8833 16.331 -19.8835 13.344 GPRESSAVG: 2765400 56.028 -21.3239 15.4792 -17.0299 -81.3429 -20.1833 16.4996 -20.9774 13.4193 TIMING: 2765400 CPU: 8245.17, 0.00302101/step Wall: 8245.17, 0.00302101/step, 1.87521 hours remaining, 206.710938 MB of memory in use. ENERGY: 2765400 740.7792 2072.7589 1953.4077 103.6169 -206100.4056 17951.2702 0.0000 0.0000 34044.1850 -149234.3877 297.3163 -183278.5727 -149144.1625 299.1588 113.7763 145.4387 558657.7731 -4.2863 -3.9652 PRESSURE: 2765600 -191.956 -65.6586 -55.5766 -65.6571 -231.629 43.8678 -55.5784 43.8688 -136.853 GPRESSURE: 2765600 -170.469 -69.6801 -11.173 -90.1748 -218.251 80.1928 -30.6607 -18.6389 -66.6099 PRESSAVG: 2765600 -27.6343 -27.779 32.9035 -27.779 -6.4166 -17.7059 32.9034 -17.706 -2.30662 GPRESSAVG: 2765600 -27.1763 -25.8928 34.0404 -28.054 -6.5697 -17.1119 31.1288 -16.4424 -2.34874 TIMING: 2765600 CPU: 8245.78, 0.00302339/step Wall: 8245.78, 0.00302339/step, 1.87651 hours remaining, 206.710938 MB of memory in use. ENERGY: 2765600 749.3875 2054.4337 1950.6912 111.3145 -205916.6121 17631.4503 0.0000 0.0000 34204.6833 -149214.6515 298.7180 -183419.3349 -149117.0977 298.9130 -186.8125 -151.7766 557895.2879 -12.1192 -12.0316 PRESSURE: 2765800 -5.22054 -88.1775 -54.3369 -88.1766 120.615 -3.16038 -54.3359 -3.16139 -33.718 GPRESSURE: 2765800 52.648 -111.8 -34.0917 -15.7138 151.528 -8.25146 -85.7117 -15.688 -23.2267 PRESSAVG: 2765800 38.493 -8.97022 -5.34332 -8.9702 -61.085 34.0906 -5.34321 34.0905 0.29735 GPRESSAVG: 2765800 39.3983 -8.62489 -6.36297 -9.00731 -60.4417 34.0259 -4.33082 32.5619 -0.494889 TIMING: 2765800 CPU: 8246.37, 0.00296739/step Wall: 8246.37, 0.00296739/step, 1.8416 hours remaining, 206.710938 MB of memory in use. ENERGY: 2765800 818.2855 2065.3614 1934.1754 123.4320 -206378.7831 17919.3217 0.0000 0.0000 34394.5811 -149123.6261 300.3764 -183518.2072 -149032.9653 299.6305 27.2256 60.3163 557365.6862 -7.4315 -7.1794 PRESSURE: 2766000 -177.63 -66.3654 -27.8835 -66.3658 -300.372 55.6945 -27.8849 55.6944 28.7368 GPRESSURE: 2766000 -173.953 -65.9856 -98.5595 -41.0449 -243.684 -6.07903 49.199 119.329 68.1222 PRESSAVG: 2766000 -69.9957 -24.0628 31.0231 -24.0628 14.34 -0.0291034 31.0231 -0.0290951 61.4399 GPRESSAVG: 2766000 -69.2388 -24.6997 32.2943 -25.0965 13.7704 0.557419 32.3791 0.775132 61.6081 TIMING: 2766000 CPU: 8246.97, 0.00299174/step Wall: 8246.97, 0.00299174/step, 1.85654 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: 2766000 743.8366 2126.0505 1943.2524 122.8726 -205605.0518 17477.4390 0.0000 0.0000 34239.1147 -148952.4860 299.0187 -183191.6007 -148866.4214 300.0629 -149.7550 -116.5051 559073.7877 1.9281 2.0466 PRESSURE: 2766200 -39.0375 -29.9795 -191.183 -29.9793 -341.432 -118.244 -191.182 -118.245 -36.1038 GPRESSURE: 2766200 -41.8143 -0.284032 -240.335 -7.81895 -257.241 -72.2318 -102.333 -86.8526 -10.2059 PRESSAVG: 2766200 8.02679 8.17893 70.0139 8.17888 2.33833 2.91408 70.0138 2.91392 53.5113 GPRESSAVG: 2766200 6.75273 10.2741 68.6382 7.48001 3.97554 3.36866 68.6997 3.07971 53.0558 TIMING: 2766200 CPU: 8247.57, 0.0030221/step Wall: 8247.57, 0.0030221/step, 1.87521 hours remaining, 206.710938 MB of memory in use. ENERGY: 2766200 731.5111 2166.9769 1925.0626 117.1931 -205840.4436 17582.1065 0.0000 0.0000 34251.6315 -149065.9619 299.1280 -183317.5933 -148969.5928 299.7809 -138.8576 -103.0870 556832.3566 21.2921 21.2614 PRESSURE: 2766400 -266.815 -13.3491 58.7779 -13.3484 -257.419 -5.90703 58.7785 -5.90821 -115.834 GPRESSURE: 2766400 -206.249 16.9754 49.0714 -12.3968 -218.655 22.1351 -54.6298 -60.7521 -115.115 PRESSAVG: 2766400 32.3878 51.9454 -16.5553 51.9454 -70.8563 19.3875 -16.5552 19.3875 35.156 GPRESSAVG: 2766400 33.444 49.5481 -15.9922 54.0105 -71.7356 17.6107 -19.1547 19.3267 34.9392 TIMING: 2766400 CPU: 8248.18, 0.00302797/step Wall: 8248.18, 0.00302797/step, 1.87869 hours remaining, 206.710938 MB of memory in use. ENERGY: 2766400 797.6650 2068.2765 1953.4227 133.9483 -205600.6941 17504.1950 0.0000 0.0000 34304.0323 -148839.1543 299.5856 -183143.1866 -148748.5052 300.0454 -213.3560 -180.0062 558892.1724 -1.1042 -1.1175 PRESSURE: 2766600 119.534 102.152 -29.0336 102.153 9.5847 -161.949 -29.0323 -161.948 -36.5454 GPRESSURE: 2766600 154.078 77.5464 -71.9747 118.297 59.7236 -125.907 0.794263 -152.675 -27.2363 PRESSAVG: 2766600 14.3042 48.7297 -19.4902 48.7297 46.9156 -69.1198 -19.4902 -69.1198 -50.7852 GPRESSAVG: 2766600 14.3032 49.3845 -18.0657 48.4598 45.9874 -67.2664 -19.1351 -70.5939 -50.4958 TIMING: 2766600 CPU: 8248.78, 0.00301556/step Wall: 8248.78, 0.00301556/step, 1.87082 hours remaining, 206.710938 MB of memory in use. ENERGY: 2766600 795.5413 2169.1585 1953.6272 118.4164 -206298.6202 18045.7926 0.0000 0.0000 34261.3455 -148954.7388 299.2129 -183216.0843 -148855.6602 300.1558 30.8578 62.1885 559089.5213 3.4782 3.2649 PRESSURE: 2766800 145.829 48.4279 34.6702 48.4272 -23.9902 -116.75 34.6697 -116.749 -51.5875 GPRESSURE: 2766800 149.403 76.3897 50.4319 99.8478 6.66157 -150.227 27.1273 -68.3186 1.42871 PRESSAVG: 2766800 40.3329 24.1013 -20.37 24.1012 -42.7216 -5.16174 -20.37 -5.1616 13.5551 GPRESSAVG: 2766800 38.3315 22.0006 -20.5799 22.9511 -42.0058 -6.67935 -20.1012 -2.9707 14.8967 TIMING: 2766800 CPU: 8249.39, 0.00302048/step Wall: 8249.39, 0.00302048/step, 1.8737 hours remaining, 206.710938 MB of memory in use. ENERGY: 2766800 728.4037 2127.7557 1932.2381 102.8822 -206226.8992 17913.9233 0.0000 0.0000 34334.4031 -149087.2931 299.8509 -183421.6962 -148993.3916 300.1202 23.4170 52.4978 558653.1316 3.7221 3.7408 PRESSURE: 2767000 -441.465 -87.1245 50.0216 -87.125 -99.6437 121.756 50.0215 121.756 -103.802 GPRESSURE: 2767000 -417.399 -42.4715 -35.4398 -58.3973 -75.3274 70.8076 96.727 168.75 -60.0204 PRESSAVG: 2767000 8.61154 14.0138 -5.8947 14.0137 26.6949 -57.8714 -5.89463 -57.8715 -43.0884 GPRESSAVG: 2767000 9.01404 16 -6.98578 12.0133 26.9175 -56.6086 -4.64204 -59.1813 -43.9988 TIMING: 2767000 CPU: 8249.99, 0.00300018/step Wall: 8249.99, 0.00300018/step, 1.86095 hours remaining, 206.710938 MB of memory in use. ENERGY: 2767000 794.4882 2112.8868 1941.9245 111.9412 -205967.9071 17539.5843 0.0000 0.0000 34239.6812 -149227.4009 299.0237 -183467.0821 -149140.5023 299.2449 -214.9704 -184.2489 557841.6823 -2.5940 -2.6891 PRESSURE: 2767200 -188.991 -43.3394 36.9875 -43.3393 -158.27 9.94203 36.9872 9.94245 -196.408 GPRESSURE: 2767200 -180.605 6.66019 46.167 -57.1213 -95.3534 -12.0613 27.5243 37.8192 -172.931 PRESSAVG: 2767200 66.047 43.704 12.665 43.704 -50.4725 -16.8242 12.665 -16.8241 -11.3645 GPRESSAVG: 2767200 66.4917 44.3266 12.4939 45.3101 -51.2577 -17.6301 12.1322 -15.6697 -10.9459 TIMING: 2767200 CPU: 8250.59, 0.00300976/step Wall: 8250.59, 0.00300976/step, 1.86672 hours remaining, 206.710938 MB of memory in use. ENERGY: 2767200 798.4226 2113.5352 1939.3020 115.3389 -205957.8343 17647.5385 0.0000 0.0000 34146.6427 -149197.0544 298.2111 -183343.6972 -149094.9988 299.1469 -181.2227 -149.6300 557413.4378 1.4033 1.4294 PRESSURE: 2767400 -309.638 -163.584 24.564 -163.585 -254.705 -23.6118 24.5646 -23.6109 -209.151 GPRESSURE: 2767400 -271.935 -214.079 18.0108 -114.281 -282.024 -2.39171 -3.91758 -14.2702 -127.546 PRESSAVG: 2767400 -12.7752 -2.78868 -37.5534 -2.78868 -46.0788 48.5316 -37.5533 48.5317 57.3516 GPRESSAVG: 2767400 -13.7769 -2.74923 -39.2229 -2.70706 -45.7016 47.0976 -36.7635 47.6266 57.9351 TIMING: 2767400 CPU: 8251.19, 0.00300723/step Wall: 8251.19, 0.00300723/step, 1.86498 hours remaining, 206.710938 MB of memory in use. ENERGY: 2767400 768.6813 2111.3825 1950.7571 116.9917 -205688.5914 17317.3763 0.0000 0.0000 33990.2499 -149433.1526 296.8453 -183423.4025 -149339.8463 298.6726 -257.8316 -227.1685 557027.3995 -0.5008 -0.5145 PRESSURE: 2767600 -125.153 35.0181 152.528 35.0182 16.7878 -282.75 152.528 -282.751 -127.952 GPRESSURE: 2767600 -107.932 -0.695714 89.525 24.0852 22.5992 -258.03 178.005 -236.919 -56.7421 PRESSAVG: 2767600 10.632 35.9902 -29.4635 35.9901 -36.6151 9.2747 -29.4635 9.27459 18.1385 GPRESSAVG: 2767600 10.624 34.5812 -27.9217 37.1257 -36.275 9.71701 -29.3998 10.4106 16.7053 TIMING: 2767600 CPU: 8251.79, 0.00299252/step Wall: 8251.79, 0.00299252/step, 1.8557 hours remaining, 206.710938 MB of memory in use. ENERGY: 2767600 775.7476 2079.0916 1941.3157 119.2033 -206359.9552 17725.8411 0.0000 0.0000 34313.4093 -149405.3466 299.6675 -183718.7559 -149300.9822 298.7167 -78.7726 -47.3584 555737.6899 -2.6149 -2.9819 PRESSURE: 2767800 -23.0668 -97.3334 -68.6459 -97.3343 110.341 67.9986 -68.647 67.999 -132.554 GPRESSURE: 2767800 22.2507 -96.7987 -3.04076 -99.116 163.138 55.6112 -98.7166 33.1272 -119.709 PRESSAVG: 2767800 6.22827 -20.7326 -57.3853 -20.7326 7.84197 -79.948 -57.3853 -79.9482 -8.35329 GPRESSAVG: 2767800 7.30185 -19.9585 -55.8961 -21.9808 6.17254 -80.2989 -60.5 -80.577 -7.97703 TIMING: 2767800 CPU: 8252.38, 0.00297726/step Wall: 8252.38, 0.00297726/step, 1.84607 hours remaining, 206.710938 MB of memory in use. ENERGY: 2767800 730.9595 2098.7715 1939.0654 111.9194 -206048.3272 17669.7340 0.0000 0.0000 34205.3523 -149292.5250 298.7238 -183497.8773 -149191.6265 299.2490 -15.0934 21.8931 556470.4911 1.9056 1.8324 PRESSURE: 2768000 -5.70738 49.1975 49.1474 49.1979 -73.8103 -52.6278 49.1468 -52.629 22.2219 GPRESSURE: 2768000 53.008 95.2 82.6107 46.9848 -61.1851 78.8299 123.086 -126.52 41.5642 PRESSAVG: 2768000 41.8616 -14.9706 -25.0914 -14.9705 73.4479 -109.866 -25.0914 -109.866 -51.1512 GPRESSAVG: 2768000 40.6922 -12.8498 -27.4868 -16.8005 74.8255 -108.252 -21.5981 -110.389 -51.734 TIMING: 2768000 CPU: 8252.98, 0.00299256/step Wall: 8252.98, 0.00299256/step, 1.85539 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: 2768000 764.8009 2016.1096 1962.9224 113.7680 -206252.9542 17747.8004 0.0000 0.0000 34543.1127 -149104.4403 301.6736 -183647.5530 -149004.6706 300.0320 -19.0986 11.1290 556487.5820 21.3861 21.2613 PRESSURE: 2768200 -213.007 67.7428 5.83546 67.7424 -91.4922 -54.9887 5.83525 -54.9879 34.6665 GPRESSURE: 2768200 -195.816 63.1721 -38.563 62.3476 -76.7906 -45.67 12.2772 -64.8029 104.579 PRESSAVG: 2768200 32.097 38.1809 -12.4799 38.1808 4.07238 -48.0584 -12.4799 -48.0583 -18.9753 GPRESSAVG: 2768200 33.8402 36.1657 -11.8769 40.3295 2.37141 -47.8555 -12.6979 -47.4851 -19.0391 TIMING: 2768200 CPU: 8253.59, 0.00302383/step Wall: 8253.59, 0.00302383/step, 1.87461 hours remaining, 206.710938 MB of memory in use. ENERGY: 2768200 749.1010 2042.1781 1940.0360 106.1238 -206045.9683 17425.5563 0.0000 0.0000 34476.5732 -149306.3999 301.0925 -183782.9731 -149211.5940 300.5669 -89.9442 -56.0091 556418.1593 5.7314 5.7242 LDB: ============= START OF LOAD BALANCING ============== 8257.02 LDB: ============== END OF LOAD BALANCING =============== 8257.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8257.02 LDB: ============= START OF LOAD BALANCING ============== 8257.32 LDB: Largest compute 4821 load 0.026643 is 22.6% of average load 0.118019 LDB: Average compute 0.001749 is 1.5% of average load 0.118019 LDB: TIME 8257.32 LOAD: AVG 0.118019 MAX 0.209745 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.066 MB LDB: TIME 8257.32 LOAD: AVG 0.118019 MAX 0.209745 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: TIME 8257.32 LOAD: AVG 0.118019 MAX 0.209745 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: ============== END OF LOAD BALANCING =============== 8257.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8257.33 PRESSURE: 2768400 229.754 92.4779 -120.86 92.4783 1.26311 -64.7018 -120.857 -64.7022 69.4524 GPRESSURE: 2768400 214.665 160.512 -74.7562 -10.1129 95.8606 -98.6234 -131.54 -86.6207 79.5994 PRESSAVG: 2768400 49.8047 55.602 24.58 55.6021 -19.9327 42.8824 24.5801 42.8824 -11.6671 GPRESSAVG: 2768400 49.3192 56.0035 25.3518 54.5639 -19.5839 41.3806 22.952 42.6725 -11.5032 TIMING: 2768400 CPU: 8254.2, 0.0030657/step Wall: 8254.2, 0.0030657/step, 1.9004 hours remaining, 208.050781 MB of memory in use. ENERGY: 2768400 760.9278 2085.6963 1912.4740 109.7286 -206250.2016 17998.4339 0.0000 0.0000 34316.2663 -149066.6747 299.6925 -183382.9410 -148976.0352 299.7908 100.1567 130.0417 558487.6547 6.0683 6.0774 PRESSURE: 2768600 93.991 -165.679 -96.8466 -165.681 -257.321 33.7809 -96.8473 33.7825 75.6163 GPRESSURE: 2768600 142.229 -61.644 -60.4729 -157.054 -251.724 48.9421 -195.13 -19.8716 128.633 PRESSAVG: 2768600 57.8021 20.0433 -31.7015 20.0433 -76.9984 17.4283 -31.7016 17.4283 44.5276 GPRESSAVG: 2768600 57.4415 21.3678 -31.877 18.4833 -76.2564 16.9142 -31.0322 18.0841 43.9391 TIMING: 2768600 CPU: 8254.8, 0.00299784/step Wall: 8254.8, 0.00299784/step, 1.85816 hours remaining, 208.121094 MB of memory in use. ENERGY: 2768600 810.1893 2101.0954 1952.5236 121.5784 -206073.9625 17895.2233 0.0000 0.0000 34110.2540 -149083.0986 297.8933 -183193.3526 -148989.9883 300.1045 -29.2379 6.3794 557491.6827 8.4438 8.3747 PRESSURE: 2768800 145.707 117.873 -127.848 117.873 -47.2749 -101.522 -127.849 -101.523 -25.8907 GPRESSURE: 2768800 187.103 118.254 -176.168 106.359 -13.1967 -41.4716 -29.7389 -94.9726 5.14596 PRESSAVG: 2768800 82.4221 15.6517 -33.5866 15.6517 -72.4831 38.6025 -33.5866 38.6026 11.1588 GPRESSAVG: 2768800 81.4528 16.5514 -31.6294 17.3941 -73.194 41.3096 -35.0431 37.3434 12.8704 TIMING: 2768800 CPU: 8255.4, 0.00301622/step Wall: 8255.4, 0.00301622/step, 1.86939 hours remaining, 208.121094 MB of memory in use. ENERGY: 2768800 735.8112 2106.3266 1925.5867 119.5294 -206138.5468 17730.4096 0.0000 0.0000 34379.3926 -149141.4908 300.2438 -183520.8834 -149040.8263 299.6934 24.1806 59.6840 558344.4099 7.0326 7.0430 PRESSURE: 2769000 -0.025021 -109.601 35.8175 -109.603 37.1964 113.833 35.8169 113.834 -195.621 GPRESSURE: 2769000 5.47502 -164.642 20.4003 8.65568 63.1584 83.9281 8.1109 131.876 -135.369 PRESSAVG: 2769000 28.3051 26.3584 -24.6602 26.3584 -21.8661 9.04408 -24.6601 9.04423 2.8621 GPRESSAVG: 2769000 29.3688 24.8784 -25.2972 25.8307 -21.2229 8.24198 -22.8068 9.77231 1.0454 TIMING: 2769000 CPU: 8256.01, 0.00303106/step Wall: 8256.01, 0.00303106/step, 1.87841 hours remaining, 208.121094 MB of memory in use. ENERGY: 2769000 775.0886 2084.8043 1965.2150 119.6711 -206111.3117 17687.7100 0.0000 0.0000 34372.9794 -149105.8432 300.1878 -183478.8227 -149003.7755 300.9260 -52.8165 -22.2453 560012.9952 3.1004 3.0638 PRESSURE: 2769200 82.456 -131.909 -61.2098 -131.91 54.5604 -196.37 -61.2102 -196.369 -43.876 GPRESSURE: 2769200 86.3673 -131.266 -64.9862 -165.09 81.2934 -231.38 -28.7751 -197.064 30.7158 PRESSAVG: 2769200 24.2114 -49.6812 -5.49302 -49.6812 -18.4151 9.03212 -5.49302 9.03218 -39.9434 GPRESSAVG: 2769200 24.6984 -50.8086 -7.04 -50.238 -20.1081 6.98843 -6.98592 10.1247 -38.9556 TIMING: 2769200 CPU: 8256.62, 0.00303818/step Wall: 8256.62, 0.00303818/step, 1.88266 hours remaining, 208.121094 MB of memory in use. ENERGY: 2769200 754.9353 2098.9951 1929.8697 118.4372 -206252.0357 17912.5647 0.0000 0.0000 34336.6011 -149100.6326 299.8701 -183437.2336 -148999.8298 300.2813 31.0468 66.1255 557477.0203 -11.3824 -11.4551 PRESSURE: 2769400 -46.1284 74.2715 291.993 74.2715 -219.213 39.8612 291.993 39.8629 298.181 GPRESSURE: 2769400 -49.3204 69.0755 317.368 121.592 -123.455 46.5779 353.149 47.9935 307.214 PRESSAVG: 2769400 20.0309 -17.736 -13.308 -17.736 -59.8834 -12.7295 -13.3081 -12.7297 33.8629 GPRESSAVG: 2769400 19.1332 -17.8196 -12.7061 -17.1694 -59.4376 -11.1496 -11.3549 -16.1567 34.7387 TIMING: 2769400 CPU: 8257.22, 0.00301606/step Wall: 8257.22, 0.00301606/step, 1.86878 hours remaining, 208.121094 MB of memory in use. ENERGY: 2769400 736.4253 2122.9990 1945.5074 110.2181 -206263.5156 17976.7158 0.0000 0.0000 34475.5326 -148896.1174 301.0834 -183371.6499 -148807.1081 300.5010 10.9466 44.8129 557944.8064 -1.9965 -1.8552 PRESSURE: 2769600 -96.8884 -68.7749 53.6008 -68.7746 -114.184 -31.6344 53.602 -31.6343 0.251551 GPRESSURE: 2769600 -86.5095 -8.11275 121.497 -46.0817 -59.0906 -31.3421 8.7739 35.7869 31.3469 PRESSAVG: 2769600 16.8712 7.27763 -9.974 7.27762 -28.8292 -56.8721 -9.974 -56.872 26.0655 GPRESSAVG: 2769600 15.7914 6.43661 -11.3229 7.36154 -26.8415 -56.2289 -9.50596 -55.5536 25.2267 TIMING: 2769600 CPU: 8257.82, 0.00300212/step Wall: 8257.82, 0.00300211/step, 1.85998 hours remaining, 208.121094 MB of memory in use. ENERGY: 2769600 763.1944 2128.5388 1952.4279 105.8862 -206074.5668 17764.3962 0.0000 0.0000 34394.0015 -148966.1218 300.3714 -183360.1232 -148875.9035 300.0861 -70.2735 -38.0844 558321.8410 4.7025 4.7255 PRESSURE: 2769800 -213.745 -130.758 -136.961 -130.757 32.4481 -31.6566 -136.96 -31.657 -236.544 GPRESSURE: 2769800 -183.48 -197.037 -111.147 -74.7331 47.034 -17.6151 -209.851 -55.9201 -176.777 PRESSAVG: 2769800 6.25174 -33.4383 2.50532 -33.4383 -9.37659 -65.6577 2.50539 -65.6577 39.2017 GPRESSAVG: 2769800 5.92876 -31.6809 3.44243 -33.7105 -9.69862 -66.7156 1.9182 -65.3198 39.4855 TIMING: 2769800 CPU: 8258.42, 0.00300788/step Wall: 8258.42, 0.00300788/step, 1.86338 hours remaining, 208.121094 MB of memory in use. ENERGY: 2769800 794.7095 2127.6259 1934.0597 112.8128 -206057.8759 17924.2298 0.0000 0.0000 34260.2515 -148904.1867 299.2033 -183164.4381 -148809.6976 300.2342 -139.2804 -104.4077 559624.0874 12.0256 11.9052 PRESSURE: 2770000 -71.0565 130.94 -80.0177 130.941 -161.313 79.4079 -80.0186 79.4071 -117.283 GPRESSURE: 2770000 -15.2948 160.239 -45.4454 122.319 -178.179 115.871 -99.4198 16.6027 -69.9955 PRESSAVG: 2770000 40.0382 16.9303 12.2837 16.9302 -60.7712 -53.8934 12.2836 -53.8933 61.4334 GPRESSAVG: 2770000 40.7081 17.7443 14.3228 16.6804 -60.5344 -54.879 10.6646 -53.7935 60.3264 TIMING: 2770000 CPU: 8259.03, 0.00304318/step Wall: 8259.03, 0.00304318/step, 1.88508 hours remaining, 208.121094 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: 2770000 754.8628 2071.7379 1939.4390 103.2274 -205826.5449 17651.6420 0.0000 0.0000 34292.4243 -149013.2115 299.4843 -183305.6358 -148916.6211 299.9863 -116.5506 -87.8232 558968.0261 13.5668 13.5000 PRESSURE: 2770200 12.3623 29.5638 184.082 29.5645 5.1722 181.946 184.081 181.946 -8.33185 GPRESSURE: 2770200 24.824 -41.4409 217.606 123.97 76.0945 272.234 85.7018 123.656 9.87014 PRESSAVG: 2770200 -26.1961 59.2938 -24.1128 59.2938 32.9047 12.5326 -24.1129 12.5325 -1.03148 GPRESSAVG: 2770200 -26.4851 59.4905 -27.6765 60.1506 32.1433 12.199 -23.2366 12.8783 0.442418 TIMING: 2770200 CPU: 8259.64, 0.00304109/step Wall: 8259.64, 0.00304109/step, 1.88362 hours remaining, 208.121094 MB of memory in use. ENERGY: 2770200 742.5574 2164.6909 1914.9402 114.4934 -206157.9441 17828.7795 0.0000 0.0000 34475.3547 -148917.1280 301.0818 -183392.4827 -148807.4197 301.0484 3.0675 36.9295 559144.7589 1.8924 2.0335 PRESSURE: 2770400 205.043 107.723 -115.922 107.723 79.4623 68.507 -115.921 68.5066 168.16 GPRESSURE: 2770400 250.17 115.586 -178.073 78.4462 109.774 -24.6075 -216.64 143.262 174.065 PRESSAVG: 2770400 62.3785 -24.6099 15.1864 -24.6099 -32.2019 -17.4567 15.1864 -17.4567 -7.71165 GPRESSAVG: 2770400 61.9462 -26.3652 15.9406 -24.231 -32.2273 -18.74 15.4502 -17.8256 -7.76734 TIMING: 2770400 CPU: 8260.24, 0.00299431/step Wall: 8260.24, 0.00299431/step, 1.85448 hours remaining, 208.121094 MB of memory in use. ENERGY: 2770400 730.8884 2050.4734 1921.2765 114.0601 -206170.7785 17973.5716 0.0000 0.0000 34447.3583 -148933.1502 300.8373 -183380.5085 -148837.1429 299.9478 150.8885 178.0030 558766.9871 7.4883 7.3172 PRESSURE: 2770600 68.2822 38.2415 -16.2964 38.2424 327.466 41.0977 -16.2978 41.0973 -2.07786 GPRESSURE: 2770600 47.8607 103.818 8.42219 10.941 360.014 54.8669 -39.3297 -22.5815 87.4764 PRESSAVG: 2770600 38.2048 -0.332263 -74.1871 -0.332329 45.6054 14.4886 -74.1871 14.4885 -95.9033 GPRESSAVG: 2770600 38.04 1.64954 -72.3799 -0.380484 46.2446 17.965 -73.6924 15.2852 -96.3268 TIMING: 2770600 CPU: 8260.83, 0.00298232/step Wall: 8260.83, 0.00298232/step, 1.84688 hours remaining, 208.121094 MB of memory in use. ENERGY: 2770600 744.0873 2100.8356 1919.6514 111.6775 -206204.2529 18056.7224 0.0000 0.0000 34269.4139 -149001.8648 299.2833 -183271.2788 -148911.4815 300.1163 131.2236 165.1169 558662.0757 -4.0310 -4.0141 PRESSURE: 2770800 -295.547 -180.365 186.711 -180.365 -212.527 165.784 186.711 165.782 -191.213 GPRESSURE: 2770800 -209.703 -192.852 118.757 -150.126 -154.964 181.174 131.729 172.212 -236.624 PRESSAVG: 2770800 16.6398 16.4459 -13.582 16.4458 63.3305 36.7737 -13.5821 36.7737 -64.1435 GPRESSAVG: 2770800 16.5879 13.9907 -14.6627 16.3605 62.2424 36.5724 -14.8198 37.192 -63.2351 TIMING: 2770800 CPU: 8261.43, 0.0029865/step Wall: 8261.43, 0.0029865/step, 1.84931 hours remaining, 208.121094 MB of memory in use. ENERGY: 2770800 746.7225 2122.9531 1929.3075 117.8335 -206081.4052 17685.7576 0.0000 0.0000 34377.2061 -149101.6248 300.2247 -183478.8310 -149004.2229 299.5246 -233.0955 -200.4303 559972.0530 5.2756 5.1984 PRESSURE: 2771000 84.4586 26.256 86.8979 26.2561 39.4499 68.459 86.8955 68.4588 234.041 GPRESSURE: 2771000 156.719 -73.0556 85.6224 83.8479 61.4184 -2.93254 114.19 58.1929 246.623 PRESSAVG: 2771000 -1.51492 22.0692 32.1065 22.0692 4.24263 25.9367 32.1063 25.9368 1.22715 GPRESSAVG: 2771000 -0.962133 22.2446 33.2432 21.9082 4.12574 24.5131 33.7159 26.0603 0.450507 TIMING: 2771000 CPU: 8262.03, 0.00302146/step Wall: 8262.03, 0.00302146/step, 1.87079 hours remaining, 208.121094 MB of memory in use. ENERGY: 2771000 742.2649 2111.2085 1955.0203 121.0901 -206481.2884 18125.9179 0.0000 0.0000 34329.9238 -149095.8629 299.8118 -183425.7867 -148994.9647 300.2736 119.3164 154.9201 557533.5756 1.3183 1.2047 PRESSURE: 2771200 56.8293 -254.217 100.439 -254.217 -119.543 -169.218 100.438 -169.218 -94.7437 GPRESSURE: 2771200 76.5751 -198.347 68.5956 -248.874 -97.4535 -124.564 121.002 -150.076 -27.5859 PRESSAVG: 2771200 28.7034 -40.6749 41.9868 -40.6748 -25.2157 -34.0905 41.9867 -34.0906 20.3025 GPRESSAVG: 2771200 28.5551 -40.0074 41.2766 -41.3507 -24.0896 -34.3697 42.0107 -34.3696 19.2086 TIMING: 2771200 CPU: 8262.64, 0.00300717/step Wall: 8262.64, 0.00300717/step, 1.86178 hours remaining, 208.121094 MB of memory in use. ENERGY: 2771200 747.0884 2145.8458 1945.4441 113.2408 -206143.3185 17902.2674 0.0000 0.0000 34141.7800 -149147.6521 298.1687 -183289.4320 -149050.1495 299.8283 -52.4858 -16.1548 558639.7059 7.9300 7.8914 PRESSURE: 2771400 -258.532 90.035 37.8888 90.0338 -116.229 -78.7605 37.8894 -78.7615 -231.327 GPRESSURE: 2771400 -246.009 86.9599 37.3259 133.916 -46.7279 -33.4705 25.4161 -79.4012 -214.933 PRESSAVG: 2771400 -19.363 -86.3286 19.0652 -86.3286 -23.7927 -20.9194 19.0653 -20.9194 30.9518 GPRESSAVG: 2771400 -19.6194 -86.4169 19.9331 -86.0911 -24.598 -20.0095 17.0965 -22.3737 31.8064 TIMING: 2771400 CPU: 8263.24, 0.00301344/step Wall: 8263.24, 0.00301344/step, 1.86549 hours remaining, 208.121094 MB of memory in use. ENERGY: 2771400 770.8847 2100.1859 1925.6939 115.9767 -206172.5016 17690.7150 0.0000 0.0000 34349.7919 -149219.2535 299.9853 -183569.0454 -149114.8910 299.3690 -202.0294 -169.2232 558545.5386 -4.0680 -4.1370 PRESSURE: 2771600 -103.415 77.0116 239.56 77.0111 -244.869 3.48515 239.56 3.48516 84.3207 GPRESSURE: 2771600 -46.484 91.7248 265.267 80.8826 -203.327 12.9003 125.773 -72.0345 86.2982 PRESSAVG: 2771600 14.8134 -44.6584 20.0136 -44.6585 -51.8522 23.3237 20.0136 23.3237 37.1353 GPRESSAVG: 2771600 13.5802 -41.7241 20.224 -47.3453 -50.9532 23.4463 19.3572 25.0138 37.3916 TIMING: 2771600 CPU: 8263.84, 0.0030002/step Wall: 8263.84, 0.0030002/step, 1.85712 hours remaining, 208.121094 MB of memory in use. ENERGY: 2771600 785.6520 2166.2956 1947.9303 118.8569 -206716.3636 17925.0773 0.0000 0.0000 34355.2726 -149417.2788 300.0331 -183772.5514 -149324.0802 299.1428 -87.9879 -54.5042 557010.6577 0.0322 0.0062 PRESSURE: 2771800 -127.621 -97.417 -95.9167 -97.4171 43.955 -136.19 -95.917 -136.187 21.5554 GPRESSURE: 2771800 -95.3911 -123.326 -135.039 -129.808 103.023 -109.741 -97.5145 -114.947 22.9989 PRESSAVG: 2771800 -4.14429 -46.331 31.0961 -46.3311 -102.368 -53.8113 31.096 -53.8111 59.2354 GPRESSAVG: 2771800 -3.16093 -47.5581 29.3693 -45.1469 -102.595 -53.0488 32.6459 -54.6475 58.2859 TIMING: 2771800 CPU: 8264.44, 0.00300496/step Wall: 8264.44, 0.00300496/step, 1.8599 hours remaining, 208.121094 MB of memory in use. ENERGY: 2771800 732.4913 2091.2011 1963.6072 124.8362 -206329.6764 17872.2501 0.0000 0.0000 34234.5616 -149310.7287 298.9789 -183545.2904 -149215.6343 298.7423 -20.7037 10.2102 556165.1188 -15.7591 -15.8234 PRESSURE: 2772000 110.971 235.259 76.028 235.258 -28.0431 -10.8168 76.0284 -10.8153 23.7446 GPRESSURE: 2772000 129.109 212.052 71.515 254.697 51.7415 -28.9194 76.1608 58.2304 21.1152 PRESSAVG: 2772000 1.40061 -19.5453 9.81264 -19.5453 -43.7528 -9.76923 9.81261 -9.76921 28.9321 GPRESSAVG: 2772000 1.2018 -19.5679 11.4756 -19.2077 -43.8999 -10.4555 8.66171 -11.7699 30.1409 TIMING: 2772000 CPU: 8265.04, 0.00298061/step Wall: 8265.04, 0.00298061/step, 1.84467 hours remaining, 208.121094 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: 2772000 731.6323 2106.8962 1930.5383 117.3376 -206472.8069 17837.7677 0.0000 0.0000 34306.3508 -149442.2839 299.6059 -183748.6348 -149344.9193 298.7646 35.5573 67.3220 556229.5178 -4.4734 -4.1857 PRESSURE: 2772200 -75.2209 -70.9586 -23.4957 -70.9605 -17.276 -18.6687 -23.4951 -18.6679 -103.318 GPRESSURE: 2772200 -92.0304 -73.2471 -96.6654 -15.6028 17.8674 19.3086 -38.0823 -16.7268 -23.861 PRESSAVG: 2772200 16.3049 72.368 1.72941 72.3681 -30.1533 2.39004 1.72947 2.38985 34.9158 GPRESSAVG: 2772200 15.7492 71.5001 2.43316 73.5807 -29.9748 1.39048 2.31357 4.72349 35.4126 TIMING: 2772200 CPU: 8265.63, 0.00298465/step Wall: 8265.63, 0.00298465/step, 1.847 hours remaining, 208.121094 MB of memory in use. ENERGY: 2772200 737.5289 2095.0940 1942.0797 111.2186 -206152.4908 17590.5870 0.0000 0.0000 34355.6965 -149320.2861 300.0368 -183675.9826 -149213.1906 299.1787 -65.2715 -32.6747 556502.3083 7.0225 7.0623 LDB: ============= START OF LOAD BALANCING ============== 8269.07 LDB: ============== END OF LOAD BALANCING =============== 8269.07 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8269.07 LDB: ============= START OF LOAD BALANCING ============== 8269.37 LDB: Largest compute 4821 load 0.027399 is 23.2% of average load 0.117994 LDB: Average compute 0.001751 is 1.5% of average load 0.117994 LDB: TIME 8269.37 LOAD: AVG 0.117994 MAX 0.205803 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.027 MB LDB: TIME 8269.37 LOAD: AVG 0.117994 MAX 0.205803 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.09 MB LDB: TIME 8269.37 LOAD: AVG 0.117994 MAX 0.205803 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.09 MB LDB: ============== END OF LOAD BALANCING =============== 8269.38 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8269.38 PRESSURE: 2772400 -125.922 18.9968 2.78279 18.9952 7.86197 -76.0725 2.78394 -76.0723 -232.813 GPRESSURE: 2772400 -68.1911 2.29659 -8.17779 -17.1234 -24.8239 -33.6271 -7.21111 -21.1209 -156.913 PRESSAVG: 2772400 61.7549 -56.7535 18.1097 -56.7535 -33.9039 -26.5411 18.1097 -26.5411 -25.7727 GPRESSAVG: 2772400 63.6532 -54.6031 17.0652 -57.4083 -35.3921 -27.1042 18.9603 -27.0491 -26.1974 TIMING: 2772400 CPU: 8266.25, 0.00308597/step Wall: 8266.25, 0.00308597/step, 1.90953 hours remaining, 206.511719 MB of memory in use. ENERGY: 2772400 756.8320 2069.2357 1952.3826 114.9669 -206316.8951 17776.4336 0.0000 0.0000 34148.9592 -149498.0853 298.2314 -183647.0444 -149394.1506 299.2388 -116.9577 -83.3092 558656.1482 0.6928 0.6879 PRESSURE: 2772600 -146.196 156.211 -71.0177 156.211 -247.488 -26.2298 -71.0184 -26.2306 -173.213 GPRESSURE: 2772600 -101.347 113.991 -113.801 35.1396 -159.471 -97.7893 31.6422 87.2112 -209.668 PRESSAVG: 2772600 -8.79597 -5.66629 11.6222 -5.66624 -56.9299 -11.5081 11.6221 -11.5081 12.0548 GPRESSAVG: 2772600 -9.22897 -6.93761 12.4473 -5.71374 -56.9766 -11.1429 11.4378 -10.3648 11.7892 TIMING: 2772600 CPU: 8266.85, 0.00301418/step Wall: 8266.85, 0.00301418/step, 1.86494 hours remaining, 206.710938 MB of memory in use. ENERGY: 2772600 748.6160 2083.1873 1934.1674 108.8390 -205847.3227 17523.9134 0.0000 0.0000 34100.8999 -149347.6996 297.8116 -183448.5996 -149248.4415 297.9023 -188.9657 -156.8290 557759.7608 -17.8904 -18.1388 PRESSURE: 2772800 -46.4486 -139.758 -16.9353 -139.759 164.851 -105.533 -16.9358 -105.532 14.5708 GPRESSURE: 2772800 -68.0425 -135.222 11.439 -99.2 219.997 -75.8815 -53.8436 -109.955 75.9031 PRESSAVG: 2772800 -3.25407 30.702 -51.0159 30.7019 -64.8955 18.2438 -51.0159 18.2438 18.8781 GPRESSAVG: 2772800 -3.54449 29.5136 -51.0391 30.5867 -65.1042 18.9005 -52.0459 16.1472 19.5656 TIMING: 2772800 CPU: 8267.46, 0.00301058/step Wall: 8267.46, 0.00301058/step, 1.86254 hours remaining, 206.914062 MB of memory in use. ENERGY: 2772800 735.5203 2119.5521 1934.4679 116.8302 -206341.5001 17914.5766 0.0000 0.0000 34316.9096 -149203.6434 299.6981 -183520.5530 -149111.3801 298.9377 44.3244 75.9524 556933.6097 -16.4238 -16.3610 PRESSURE: 2773000 379.915 -35.7519 11.7027 -35.7519 -106.023 -107.144 11.7032 -107.143 -14.3654 GPRESSURE: 2773000 357.277 -63.6929 4.57718 -49.1697 -52.8331 -46.5926 24.2839 -55.583 48.3545 PRESSAVG: 2773000 58.634 -6.41782 -27.1151 -6.41781 19.9257 -24.3715 -27.1151 -24.3714 -40.5019 GPRESSAVG: 2773000 56.9653 -4.6801 -27.8643 -7.4016 22.6401 -25.8498 -25.0258 -23.1572 -41.006 TIMING: 2773000 CPU: 8268.06, 0.00300552/step Wall: 8268.06, 0.00300552/step, 1.85925 hours remaining, 206.914062 MB of memory in use. ENERGY: 2773000 742.4072 2081.3521 1950.8414 129.5929 -206599.7205 18070.6408 0.0000 0.0000 34504.8506 -149120.0355 301.3394 -183624.8861 -149029.2119 299.8828 86.5089 117.5994 558118.4438 12.6859 12.8664 PRESSURE: 2773200 -88.9347 -39.1415 -16.1576 -39.1429 -23.6372 -2.63577 -16.157 -2.63649 66.878 GPRESSURE: 2773200 -88.1674 -43.9444 -30.4618 -28.6532 24.8928 -5.68703 1.71601 65.1947 107.353 PRESSAVG: 2773200 60.4616 -13.2035 0.702496 -13.2035 6.7261 -26.0621 0.702519 -26.0623 -30.8492 GPRESSAVG: 2773200 60.9556 -14.5918 1.54197 -11.7192 7.00975 -26.3471 -1.5106 -26.6789 -31.2223 TIMING: 2773200 CPU: 8268.67, 0.00306239/step Wall: 8268.67, 0.00306239/step, 1.89426 hours remaining, 206.914062 MB of memory in use. ENERGY: 2773200 783.9141 2077.3033 1938.1057 127.1529 -205556.8841 17542.1644 0.0000 0.0000 34182.2124 -148906.0313 298.5218 -183088.2436 -148812.2304 299.8920 -15.2313 14.6928 557592.4720 12.1128 12.2477 PRESSURE: 2773400 62.2941 175.165 2.70883 175.164 125.756 -16.5874 2.70954 -16.5887 -126.621 GPRESSURE: 2773400 61.9099 169.252 38.135 86.9715 154.775 42.0448 -33.874 -30.9093 -58.6738 PRESSAVG: 2773400 47.7018 -44.1353 -6.06749 -44.1354 -2.98621 1.30608 -6.06745 1.30591 -57.506 GPRESSAVG: 2773400 48.1937 -43.4449 -6.48884 -45.1358 -4.41551 1.75302 -4.11578 2.00906 -55.8153 TIMING: 2773400 CPU: 8269.28, 0.00303378/step Wall: 8269.28, 0.00303378/step, 1.8764 hours remaining, 206.914062 MB of memory in use. ENERGY: 2773400 759.8099 2051.0099 1946.5971 110.5697 -205600.3628 17677.8056 0.0000 0.0000 34122.2086 -148932.3620 297.9977 -183054.5706 -148840.6786 299.5904 20.4765 52.6703 557056.3300 -4.2635 -4.0124 PRESSURE: 2773600 -42.7103 248.86 150.084 248.861 82.1687 51.4436 150.083 51.4437 -31.2858 GPRESSURE: 2773600 26.1399 215.155 146.562 250.264 123.765 38.0735 170.973 144.099 -39.2366 PRESSAVG: 2773600 -24.1456 -8.4555 57.7093 -8.45551 33.5602 54.1943 57.7094 54.1944 -17.3202 GPRESSAVG: 2773600 -23.426 -7.49786 56.6441 -8.96629 34.7104 56.2611 58.3559 50.9848 -18.5367 TIMING: 2773600 CPU: 8269.87, 0.00298946/step Wall: 8269.87, 0.00298946/step, 1.84881 hours remaining, 206.914062 MB of memory in use. ENERGY: 2773600 747.3680 2014.4339 1956.6053 125.5423 -206226.8145 17844.9992 0.0000 0.0000 34515.5568 -149022.3090 301.4329 -183537.8658 -148915.7168 299.9446 2.7242 36.8893 556836.1018 -2.6352 -2.4174 PRESSURE: 2773800 39.1795 -92.5822 94.5767 -92.5823 275.278 25.9109 94.5776 25.9114 14.6729 GPRESSURE: 2773800 58.946 -129.78 77.204 -14.3694 325.553 -76.5245 54.6922 63.3547 44.9846 PRESSAVG: 2773800 19.7077 -7.91127 83.9352 -7.91117 83.6772 68.4188 83.9351 68.4188 -93.8257 GPRESSAVG: 2773800 19.6858 -9.29385 85.774 -6.69854 82.9401 66.1581 82.528 69.9038 -92.4821 TIMING: 2773800 CPU: 8270.47, 0.00300408/step Wall: 8270.47, 0.00300408/step, 1.85769 hours remaining, 206.914062 MB of memory in use. ENERGY: 2773800 733.4544 2063.5841 1967.3929 105.5924 -206263.1667 17888.2474 0.0000 0.0000 34420.6164 -149084.2791 300.6038 -183504.8956 -148986.7643 300.1097 109.7102 143.1611 557634.4350 3.1864 3.3813 PRESSURE: 2774000 -50.8698 -20.6028 226.749 -20.6027 34.2831 -44.0397 226.75 -44.0412 -135.662 GPRESSURE: 2774000 43.9098 -43.3624 168.677 45.5806 48.8005 -52.4849 228.128 -13.7367 -135.095 PRESSAVG: 2774000 -32.8537 -10.3814 61.9197 -10.3814 75.824 3.63766 61.9197 3.63769 0.95626 GPRESSAVG: 2774000 -31.6323 -11.4993 62.8297 -9.69187 75.9244 5.61852 61.0665 3.01781 0.318052 TIMING: 2774000 CPU: 8271.08, 0.00302621/step Wall: 8271.08, 0.00302621/step, 1.87121 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: 2774000 777.0922 2067.9530 1962.2577 118.1342 -206058.8071 17761.7028 0.0000 0.0000 34354.0714 -149017.5958 300.0226 -183371.6672 -148921.4745 299.8921 -50.7496 -14.1282 557132.7728 14.6422 14.8701 PRESSURE: 2774200 199.098 19.074 34.0481 19.0732 186.843 -24.7387 34.0479 -24.7377 251.355 GPRESSURE: 2774200 284.525 10.7778 -38.5799 -50.1111 202.878 -55.7116 35.624 6.84364 235.403 PRESSAVG: 2774200 -20.4335 13.8289 46.181 13.8288 28.16 19.0499 46.181 19.0499 -29.9968 GPRESSAVG: 2774200 -21.9841 15.975 45.2717 13.2336 28.8212 17.5851 45.8913 19.4835 -29.0986 TIMING: 2774200 CPU: 8271.68, 0.00301319/step Wall: 8271.68, 0.00301319/step, 1.86299 hours remaining, 206.914062 MB of memory in use. ENERGY: 2774200 746.5713 2080.1042 1957.2705 119.2417 -206752.0206 18281.4266 0.0000 0.0000 34423.7663 -149143.6400 300.6313 -183567.4063 -149046.9411 299.4995 212.4319 240.9351 557580.7370 -7.4234 -7.4205 PRESSURE: 2774400 218.594 65.0198 -7.94891 65.0194 -202.354 -1.81375 -7.94912 -1.81508 -89.0776 GPRESSURE: 2774400 290.243 21.7549 29.5414 119.428 -207.418 -111.394 -10.7695 -44.5263 -44.8002 PRESSAVG: 2774400 41.0241 31.2226 -2.66022 31.2225 -70.496 31.209 -2.66029 31.209 -25.1909 GPRESSAVG: 2774400 40.7961 31.2951 -3.22235 32.1874 -69.3582 31.5169 -3.51445 30.5002 -26.069 TIMING: 2774400 CPU: 8272.28, 0.00298817/step Wall: 8272.28, 0.00298817/step, 1.84736 hours remaining, 206.914062 MB of memory in use. ENERGY: 2774400 748.6447 2097.4215 1945.0011 114.9521 -206384.3960 17968.6955 0.0000 0.0000 34265.9982 -149243.6829 299.2535 -183509.6810 -149147.3581 299.2193 -24.2791 12.6747 559663.6948 -18.2210 -18.2104 PRESSURE: 2774600 -79.9152 -184.535 46.7388 -184.535 -119.236 61.7985 46.7394 61.7972 1.70115 GPRESSURE: 2774600 -31.5676 -193.099 -41.1549 -187.391 -149.746 12.0577 35.5057 47.1795 79.6444 PRESSAVG: 2774600 31.9777 21.4824 28.7651 21.4824 -40.1104 -17.175 28.765 -17.1751 -13.1352 GPRESSAVG: 2774600 31.7589 22.6528 28.7424 20.6474 -40.1812 -19.789 30.2752 -13.5946 -12.6676 TIMING: 2774600 CPU: 8272.88, 0.00299327/step Wall: 8272.88, 0.00299327/step, 1.85034 hours remaining, 206.914062 MB of memory in use. ENERGY: 2774600 783.1571 2055.9275 1946.5769 125.3924 -206131.3382 17881.0578 0.0000 0.0000 34218.4885 -149120.7379 298.8386 -183339.2264 -149028.4838 299.4663 -65.8166 -33.8896 558729.6600 -7.0893 -7.0300 PRESSURE: 2774800 241.681 100.329 38.5938 100.329 -99.5191 33.1475 38.5924 33.1472 73.9565 GPRESSURE: 2774800 314.517 139.246 25.9045 61.5719 -105.016 73.3435 90.6136 32.8484 97.2859 PRESSAVG: 2774800 18.5796 -34.1621 -0.436765 -34.1621 21.6369 -26.496 -0.43687 -26.496 -9.44138 GPRESSAVG: 2774800 19.0176 -34.7705 -1.63791 -33.2649 21.0467 -24.2057 -0.850975 -29.0895 -9.13263 TIMING: 2774800 CPU: 8273.48, 0.00301343/step Wall: 8273.48, 0.00301343/step, 1.86263 hours remaining, 206.914062 MB of memory in use. ENERGY: 2774800 744.3733 2117.9428 1957.0680 110.1664 -206469.3351 18038.3608 0.0000 0.0000 34371.3509 -149130.0729 300.1736 -183501.4238 -149043.3554 298.8552 72.0394 102.2623 557906.9865 10.2583 10.3106 PRESSURE: 2775000 -281.951 41.3981 -61.8837 41.3972 87.2811 72.445 -61.882 72.4455 52.6926 GPRESSURE: 2775000 -200.04 -52.1823 -47.3123 46.0712 150.215 72.0636 -77.9636 -8.39899 4.83049 PRESSAVG: 2775000 -17.9668 -10.9482 -23.596 -10.9483 4.39308 -37.1748 -23.596 -37.1748 29.8533 GPRESSAVG: 2775000 -17.0706 -11.7491 -22.2118 -12.8646 4.4232 -35.8282 -22.7145 -37.2996 29.072 TIMING: 2775000 CPU: 8274.08, 0.00299966/step Wall: 8274.08, 0.00299966/step, 1.85395 hours remaining, 206.914062 MB of memory in use. ENERGY: 2775000 737.2176 2100.3296 1943.3266 117.4363 -206349.0063 17931.3529 0.0000 0.0000 34519.8125 -148999.5306 301.4701 -183519.3432 -148903.2938 300.1397 -47.3257 -14.9984 559189.1568 5.4265 5.4749 PRESSURE: 2775200 242.291 -58.2035 58.7602 -58.2022 -120.175 108.077 58.7608 108.078 65.7003 GPRESSURE: 2775200 257.653 -60.7711 45.6391 37.5933 -68.7348 54.6246 43.8458 69.9737 98.9234 PRESSAVG: 2775200 40.4624 -13.1128 0.0857366 -13.1128 21.6957 36.7671 0.0856951 36.7671 -68.9606 GPRESSAVG: 2775200 38.6741 -12.4662 0.562701 -12.0348 21.894 34.7603 -2.27977 38.7029 -67.0128 TIMING: 2775200 CPU: 8274.68, 0.00299684/step Wall: 8274.68, 0.00299684/step, 1.85205 hours remaining, 206.914062 MB of memory in use. ENERGY: 2775200 743.1687 2117.2002 1930.8066 109.1820 -206126.9232 18004.8133 0.0000 0.0000 34503.1583 -148718.5940 301.3247 -183221.7523 -148624.6555 300.1721 62.6054 95.9473 559334.5900 -2.2675 -2.1482 PRESSURE: 2775400 133.677 13.1289 74.5019 13.1276 -171.86 71.5681 74.5029 71.569 256.85 GPRESSURE: 2775400 215.96 26.1928 33.7041 -0.78381 -139.035 99.31 45.3488 107.524 243.327 PRESSAVG: 2775400 11.1459 -42.5985 -24.6612 -42.5984 -10.4719 39.4263 -24.6612 39.4263 -4.49513 GPRESSAVG: 2775400 12.6304 -43.5727 -24.8532 -42.043 -10.4987 40.8382 -24.8402 39.806 -6.42065 TIMING: 2775400 CPU: 8275.29, 0.00302868/step Wall: 8275.29, 0.00302868/step, 1.87156 hours remaining, 206.914062 MB of memory in use. ENERGY: 2775400 732.0314 2119.4619 1935.5160 111.3934 -205687.2007 17766.2937 0.0000 0.0000 34302.2562 -148720.2481 299.5701 -183022.5042 -148623.4922 300.5899 72.8889 106.7506 558444.1696 -1.2737 -1.4296 PRESSURE: 2775600 -209.201 -57.2024 -28.2246 -57.2021 131.796 -68.1101 -28.2237 -68.1106 141.477 GPRESSURE: 2775600 -185.401 -88.5116 -73.7167 -29.9858 97.8635 -36.0502 -88.0122 -157.543 245.881 PRESSAVG: 2775600 -57.8155 -15.2765 -52.9281 -15.2765 9.17152 -23.7686 -52.928 -23.7686 55.5411 GPRESSAVG: 2775600 -58.3276 -14.8675 -53.7886 -15.6706 8.28128 -24.4027 -50.9582 -25.9655 57.1656 TIMING: 2775600 CPU: 8275.89, 0.00302454/step Wall: 8275.89, 0.00302454/step, 1.86883 hours remaining, 206.914062 MB of memory in use. ENERGY: 2775600 746.6336 2132.2810 1944.0752 123.0399 -205829.3722 17795.6718 0.0000 0.0000 34286.2672 -148801.4035 299.4305 -183087.6708 -148700.3511 300.2280 21.3574 52.7811 559580.5931 2.2991 2.3731 PRESSURE: 2775800 -496.81 -117.427 -22.6563 -117.427 -144.664 -17.8765 -22.6564 -17.8747 -279.072 GPRESSURE: 2775800 -490.455 -96.0714 -48.7865 -158.47 -74.8738 -147.253 -5.4005 15.9232 -252.508 PRESSAVG: 2775800 24.7268 32.7374 -91.0135 32.7374 58.5282 -30.9095 -91.0135 -30.9096 -71.5913 GPRESSAVG: 2775800 24.0533 32.7789 -91.0563 31.3515 60.5708 -31.0939 -90.1271 -30.1255 -72.4253 TIMING: 2775800 CPU: 8276.5, 0.00303881/step Wall: 8276.5, 0.00303881/step, 1.87748 hours remaining, 206.914062 MB of memory in use. ENERGY: 2775800 784.6208 2072.1235 1936.4792 111.4130 -205518.5592 17399.1166 0.0000 0.0000 34375.0918 -148839.7144 300.2062 -183214.8062 -148744.1615 299.9061 -306.8485 -272.6122 557887.0500 3.8879 4.0663 PRESSURE: 2776000 304.584 -7.40388 221.187 -7.40291 180.045 60.1637 221.186 60.1622 373.969 GPRESSURE: 2776000 363.86 -103.76 147.054 42.0504 198.565 28.9311 244.913 23.6393 385.705 PRESSAVG: 2776000 88.2194 12.5335 -0.991095 12.5335 29.1385 77.1588 -0.99112 77.1588 -106.458 GPRESSAVG: 2776000 89.186 11.2859 0.872272 13.7346 28.1541 75.8394 -2.98251 77.5023 -106.778 TIMING: 2776000 CPU: 8277.1, 0.00299444/step Wall: 8277.1, 0.00299444/step, 1.8499 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: 2776000 719.0663 2108.5004 1938.0350 113.9336 -206430.0891 18051.4625 0.0000 0.0000 34548.0209 -148951.0704 301.7165 -183499.0913 -148852.2754 299.8643 286.1993 316.0431 557340.7083 3.6332 3.5206 PRESSURE: 2776200 -39.1612 49.0963 -233.065 49.0975 116.92 -3.25788 -233.064 -3.25833 242.273 GPRESSURE: 2776200 -17.211 12.419 -194.886 -0.601354 154.035 -57.4023 -140.567 53.7167 279.422 PRESSAVG: 2776200 9.73684 26.045 -7.39124 26.0449 -15.2788 -6.79828 -7.39122 -6.79827 -22.0146 GPRESSAVG: 2776200 8.91834 24.8268 -9.47091 25.845 -15.0805 -7.3305 -5.80224 -6.31433 -21.3241 TIMING: 2776200 CPU: 8277.7, 0.00301354/step Wall: 8277.7, 0.00301354/step, 1.86153 hours remaining, 206.914062 MB of memory in use. ENERGY: 2776200 737.6778 2093.0840 1924.5344 109.0725 -206068.9332 17760.5523 0.0000 0.0000 34451.5302 -148992.4820 300.8738 -183444.0122 -148893.6876 299.7194 106.6773 138.7487 556417.6675 -9.1855 -9.1621 LDB: ============= START OF LOAD BALANCING ============== 8281.13 LDB: ============== END OF LOAD BALANCING =============== 8281.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8281.13 LDB: ============= START OF LOAD BALANCING ============== 8281.44 LDB: Largest compute 4821 load 0.027961 is 23.7% of average load 0.117973 LDB: Average compute 0.001744 is 1.5% of average load 0.117973 LDB: TIME 8281.44 LOAD: AVG 0.117973 MAX 0.206706 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 8281.44 LOAD: AVG 0.117973 MAX 0.206706 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: TIME 8281.44 LOAD: AVG 0.117973 MAX 0.206706 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: ============== END OF LOAD BALANCING =============== 8281.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8281.45 PRESSURE: 2776400 -14.4296 162.674 -44.1245 162.674 -194.096 -70.5186 -44.1247 -70.5176 -426.219 GPRESSURE: 2776400 70.8443 146.338 3.36924 236.511 -206.99 -137.843 -25.8011 -5.15358 -393.868 PRESSAVG: 2776400 27.6616 32.3791 45.0614 32.3791 -25.4637 -4.82993 45.0614 -4.82989 -21.7138 GPRESSAVG: 2776400 29.2375 35.2747 47.7585 30.1391 -26.7313 -4.49287 43.2957 -5.37272 -22.1975 TIMING: 2776400 CPU: 8278.32, 0.00308271/step Wall: 8278.32, 0.00308271/step, 1.90408 hours remaining, 205.742188 MB of memory in use. ENERGY: 2776400 773.6413 2129.5811 1937.7105 117.5816 -206093.5325 17595.6167 0.0000 0.0000 34422.5457 -149116.8557 300.6207 -183539.4013 -149022.4275 299.7947 -211.5814 -176.6712 558728.8898 -6.5053 -6.5638 PRESSURE: 2776600 -172.835 95.9578 -13.9552 95.9583 -139.52 -75.6322 -13.9544 -75.6297 -45.1657 GPRESSURE: 2776600 -118.064 148.82 -52.5371 102.128 -60.079 -63.0415 -38.3192 -67.2037 -85.2542 PRESSAVG: 2776600 32.4593 46.3623 -18.7799 46.3623 -16.4231 -44.8159 -18.7799 -44.8159 19.3647 GPRESSAVG: 2776600 31.7306 45.3102 -23.5702 48.7333 -16.0386 -45.4913 -15.7739 -44.7158 19.9161 TIMING: 2776600 CPU: 8278.92, 0.00301404/step Wall: 8278.92, 0.00301405/step, 1.86151 hours remaining, 205.945312 MB of memory in use. ENERGY: 2776600 759.9331 2097.6915 1953.1058 107.2083 -206132.5339 17542.5168 0.0000 0.0000 34476.6706 -149195.4079 301.0933 -183672.0784 -149107.4661 299.8375 -119.1736 -87.7990 556011.7247 11.8003 11.8694 PRESSURE: 2776800 -296.242 67.1839 -72.5739 67.1839 -150.164 -70.8115 -72.5738 -70.8132 -24.4955 GPRESSURE: 2776800 -232.979 79.8731 -56.3026 52.9613 -138.65 -65.1398 -98.1503 -68.0632 -15.6619 PRESSAVG: 2776800 -3.11707 6.81696 14.3871 6.81704 -5.02333 -29.0459 14.387 -29.0458 -10.9847 GPRESSAVG: 2776800 -3.07205 6.56259 18.1745 4.60929 -3.90922 -27.0874 11.2136 -31.2664 -11.7932 TIMING: 2776800 CPU: 8279.52, 0.00301373/step Wall: 8279.52, 0.00301373/step, 1.86115 hours remaining, 205.945312 MB of memory in use. ENERGY: 2776800 793.5890 2113.6904 1928.8285 98.5062 -205986.0137 17648.1072 0.0000 0.0000 34146.5530 -149256.7394 298.2103 -183403.2925 -149161.8772 299.3489 -156.9672 -129.0970 557478.1987 -6.3750 -6.2582 PRESSURE: 2777000 -12.9735 -55.3172 65.6606 -55.316 44.4571 94.1607 65.661 94.1607 140.461 GPRESSURE: 2777000 8.4078 -40.7135 73.81 -77.7836 104.567 32.7023 16.0666 124.643 144.623 PRESSAVG: 2777000 -62.4571 61.6401 -44.8935 61.6401 36.1909 -10.1761 -44.8935 -10.1761 42.8571 GPRESSAVG: 2777000 -61.9699 62.7559 -46.8068 62.3119 34.257 -8.4759 -43.7291 -9.71146 44.4788 TIMING: 2777000 CPU: 8280.13, 0.00304737/step Wall: 8280.13, 0.00304737/step, 1.88175 hours remaining, 205.945312 MB of memory in use. ENERGY: 2777000 748.6044 2103.8215 1928.6759 122.7989 -206181.3586 17896.2304 0.0000 0.0000 34165.0179 -149216.2097 298.3716 -183381.2276 -149129.1530 299.2906 57.3150 85.8661 557732.3493 5.5303 5.5886 PRESSURE: 2777200 63.607 63.7506 -98.1757 63.7527 -49.9413 -72.3676 -98.1755 -72.3667 162.072 GPRESSURE: 2777200 104.758 -22.6857 -107.373 46.6206 -2.43842 -51.9647 -72.1906 -25.5173 153.961 PRESSAVG: 2777200 -72.2929 28.2529 -36.3084 28.253 45.2055 -65.5403 -36.3084 -65.5403 28.1004 GPRESSAVG: 2777200 -72.2901 26.6862 -34.9801 29.8881 46.609 -68.3701 -36.0782 -66.4214 27.0633 TIMING: 2777200 CPU: 8280.74, 0.00302648/step Wall: 8280.74, 0.00302648/step, 1.86868 hours remaining, 205.945312 MB of memory in use. ENERGY: 2777200 739.1908 2109.8455 1955.1704 118.8114 -206322.5402 17767.8611 0.0000 0.0000 34410.5418 -149221.1191 300.5158 -183631.6609 -149122.7036 299.6221 58.5792 85.4269 556057.2104 0.3377 0.4607 PRESSURE: 2777400 102.626 52.8698 -13.2996 52.8697 210.067 -96.9949 -13.3 -96.9963 173.755 GPRESSURE: 2777400 158.182 97.7123 -130.907 83.1269 181.157 -96.6601 69.5506 -31.1303 240.665 PRESSAVG: 2777400 -67.2016 -2.9679 -30.2737 -2.96803 48.0804 20.8283 -30.2738 20.8281 43.967 GPRESSAVG: 2777400 -67.2162 -1.71258 -31.1777 -3.71646 48.1461 21.653 -31.2753 22.826 44.2003 TIMING: 2777400 CPU: 8281.34, 0.00301541/step Wall: 8281.34, 0.00301541/step, 1.86168 hours remaining, 205.945312 MB of memory in use. ENERGY: 2777400 715.5743 2101.7489 1909.9189 108.0991 -206371.7128 17954.2972 0.0000 0.0000 34358.7528 -149223.3215 300.0635 -183582.0743 -149125.6740 299.7056 162.1491 193.3345 556264.3756 8.2819 8.3767 PRESSURE: 2777600 -77.1033 46.5528 179.493 46.5532 -78.4829 163.466 179.492 163.466 -298.867 GPRESSURE: 2777600 -120.157 84.9918 272.707 30.1814 -29.2878 155.381 76.6348 167.212 -192.753 PRESSAVG: 2777600 -32.6755 -6.90874 -41.6854 -6.90887 8.76294 4.89191 -41.6854 4.89194 1.56475 GPRESSAVG: 2777600 -33.9198 -6.72061 -40.6682 -7.30982 10.2554 4.1312 -40.2915 4.14364 1.28625 TIMING: 2777600 CPU: 8281.94, 0.00299992/step Wall: 8281.94, 0.00299992/step, 1.85195 hours remaining, 205.945312 MB of memory in use. ENERGY: 2777600 733.2908 2062.7186 1994.7676 117.6495 -205824.0104 17559.3565 0.0000 0.0000 34242.9406 -149113.2867 299.0521 -183356.2274 -149013.2633 299.4405 -151.4843 -114.0658 557243.5551 -7.4493 -7.4594 PRESSURE: 2777800 132.585 -41.4819 28.996 -41.4811 -95.6503 -30.4047 28.9967 -30.4059 -161.253 GPRESSURE: 2777800 112.804 29.7038 30.7759 -70.5569 -66.5477 46.8238 14.8846 -65.943 -104.349 PRESSAVG: 2777800 33.7757 10.9147 11.7539 10.9147 23.6002 -16.8042 11.754 -16.8042 -37.2131 GPRESSAVG: 2777800 35.0127 11.0797 10.4528 11.3677 22.7165 -17.1104 11.5965 -16.2362 -37.4386 TIMING: 2777800 CPU: 8282.54, 0.00299646/step Wall: 8282.54, 0.00299646/step, 1.84965 hours remaining, 205.945312 MB of memory in use. ENERGY: 2777800 734.4927 2111.7113 1938.8537 111.5011 -205876.4248 17579.3523 0.0000 0.0000 34243.2601 -149157.2535 299.0549 -183400.5136 -149068.0033 299.8289 -41.4394 -19.3642 555982.7702 6.7210 6.7636 PRESSURE: 2778000 124.61 -138.871 -12.7309 -138.872 -157.207 41.0689 -12.7314 41.0668 -91.4882 GPRESSURE: 2778000 125.947 -146.876 -43.2759 -90.4101 -82.5585 90.2023 -31.0801 2.51417 -85.4769 PRESSAVG: 2778000 2.61834 -53.294 -13.9258 -53.294 8.44604 -5.21589 -13.9258 -5.21587 -57.7496 GPRESSAVG: 2778000 1.47088 -55.0339 -14.0551 -52.0296 8.8203 -5.04039 -13.5428 -4.99285 -57.6979 TIMING: 2778000 CPU: 8283.14, 0.00298927/step Wall: 8283.14, 0.00298927/step, 1.84504 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: 2778000 708.1182 2125.4635 1950.1560 120.1087 -206112.2317 17613.0497 0.0000 0.0000 34253.1475 -149342.1881 299.1413 -183595.3357 -149239.6274 299.2185 -41.3618 -14.0296 556708.7829 -15.5618 -15.8023 PRESSURE: 2778200 17.7951 -75.5368 -136.674 -75.5375 155.858 233.053 -136.673 233.053 -275.203 GPRESSURE: 2778200 59.3656 -43.9305 -186.803 0.175437 187.278 255.182 -98.1783 202.451 -254.053 PRESSAVG: 2778200 -29.8228 -52.9351 -35.2483 -52.9351 16.4165 44.8704 -35.2483 44.8704 -9.70898 GPRESSAVG: 2778200 -29.0163 -51.8261 -36.15 -53.2681 16.2921 44.7839 -34.9425 44.6737 -10.6373 TIMING: 2778200 CPU: 8283.74, 0.00299033/step Wall: 8283.74, 0.00299033/step, 1.84553 hours remaining, 206.148438 MB of memory in use. ENERGY: 2778200 724.2696 2130.1353 1940.9534 123.1246 -206204.7977 17635.5696 0.0000 0.0000 34168.8983 -149481.8470 298.4055 -183650.7453 -149388.1598 299.0156 -33.8501 -2.4700 556931.4305 -7.7051 -7.7872 PRESSURE: 2778400 -27.7037 27.755 -14.8918 27.7543 -28.3188 131.783 -14.8924 131.783 23.2972 GPRESSURE: 2778400 14.7913 -3.03859 39.2267 -9.46207 57.7266 195.094 -24.3654 150.368 1.33284 PRESSAVG: 2778400 -83.9082 32.1569 -40.6587 32.1571 27.612 -1.28293 -40.6586 -1.28303 52.9247 GPRESSAVG: 2778400 -84.0535 31.9034 -38.7744 30.6718 27.9677 -0.731017 -40.1411 -0.698086 53.3212 TIMING: 2778400 CPU: 8284.34, 0.00300593/step Wall: 8284.34, 0.00300593/step, 1.855 hours remaining, 206.148438 MB of memory in use. ENERGY: 2778400 701.3972 2088.3948 1908.7923 106.1422 -206550.6402 17805.1996 0.0000 0.0000 34437.3388 -149503.3753 300.7498 -183940.7142 -149402.3870 298.9688 -10.9085 24.6169 557372.7114 -1.1238 -0.9216 PRESSURE: 2778600 11.9036 152.267 35.6395 152.266 -35.2849 61.716 35.641 61.7172 249.688 GPRESSURE: 2778600 60.4645 120.542 140.387 64.2022 9.21588 42.2157 6.9324 45.1238 254.406 PRESSAVG: 2778600 -29.0622 83.1596 -33.49 83.1596 13.0621 19.2055 -33.4901 19.2057 12.5861 GPRESSAVG: 2778600 -28.2428 83.0676 -33.6459 83.6076 12.8841 18.1772 -34.3423 19.3144 12.3404 TIMING: 2778600 CPU: 8284.94, 0.00300397/step Wall: 8284.94, 0.00300397/step, 1.85362 hours remaining, 206.148438 MB of memory in use. ENERGY: 2778600 757.6249 2162.0641 1932.9676 102.2746 -206848.7676 17936.8888 0.0000 0.0000 34397.4913 -149559.4562 300.4018 -183956.9475 -149460.7228 298.2286 75.4355 108.0289 557109.9338 -1.1380 -1.0061 PRESSURE: 2778800 26.5058 143.432 192.744 143.434 -212.366 -10.6317 192.744 -10.6318 85.0532 GPRESSURE: 2778800 44.4873 36.9744 197.199 167.925 -142.895 -67.4694 201.093 -13.0058 82.7076 PRESSAVG: 2778800 -16.5376 -20.4306 11.732 -20.4306 4.14085 40.5055 11.732 40.5054 -16.4685 GPRESSAVG: 2778800 -16.496 -20.406 12.7917 -20.8574 3.93929 39.3271 10.8161 41.1616 -15.8347 TIMING: 2778800 CPU: 8285.54, 0.0029969/step Wall: 8285.54, 0.0029969/step, 1.84909 hours remaining, 206.148438 MB of memory in use. ENERGY: 2778800 771.4026 2089.3781 1946.6513 112.8107 -206093.7929 17662.1686 0.0000 0.0000 34025.5938 -149485.7878 297.1540 -183511.3816 -149392.7317 297.7863 -33.6023 -5.2332 557452.0242 -9.6217 -9.4638 PRESSURE: 2779000 121.636 48.4581 165.803 48.4586 74.1659 -19.6027 165.803 -19.6036 165.822 GPRESSURE: 2779000 158.055 135.997 60.2362 6.31332 110.823 -40.9386 142.496 38.587 179.087 PRESSAVG: 2779000 -29.7436 42.0281 38.1186 42.0281 -10.3002 -17.7396 38.1186 -17.7397 38.2959 GPRESSAVG: 2779000 -30.5977 41.6156 36.847 41.9726 -8.05574 -15.1804 39.4312 -19.0084 37.2371 TIMING: 2779000 CPU: 8286.14, 0.00301438/step Wall: 8286.14, 0.00301438/step, 1.8597 hours remaining, 206.148438 MB of memory in use. ENERGY: 2779000 724.1547 2047.2469 1947.6806 110.7429 -206193.7276 17881.0939 0.0000 0.0000 34160.0477 -149322.7610 298.3282 -183482.8087 -149227.9025 298.4484 120.5415 149.3216 557770.4591 -0.5827 -0.4721 PRESSURE: 2779200 -116.758 -113.199 -176.893 -113.199 -60.5081 -14.3371 -176.893 -14.3369 7.53111 GPRESSURE: 2779200 -66.3721 -196.16 -136.042 -106.546 -40.0604 -100.409 -207.466 -79.9718 26.1767 PRESSAVG: 2779200 16.4954 46.235 20.5392 46.235 -32.9755 -43.2675 20.5393 -43.2676 -22.5853 GPRESSAVG: 2779200 16.4981 44.2003 20.4932 48.1905 -34.1105 -42.4508 18.4072 -42.9341 -22.1902 TIMING: 2779200 CPU: 8286.75, 0.00302704/step Wall: 8286.75, 0.00302704/step, 1.86735 hours remaining, 206.148438 MB of memory in use. ENERGY: 2779200 759.5861 2076.2075 1946.9163 100.4113 -206514.5876 17893.6865 0.0000 0.0000 34453.3753 -149284.4046 300.8899 -183737.7799 -149185.8797 299.2871 -56.5782 -26.7520 556883.0120 -13.0218 -13.2675 PRESSURE: 2779400 -331.653 35.2933 92.5702 35.2931 -144.812 -150.232 92.5716 -150.231 -18.3242 GPRESSURE: 2779400 -279.015 20.5756 91.1929 90.3635 -83.283 -146.66 118.031 -62.7946 -19.4528 PRESSAVG: 2779400 20.4295 11.9064 31.31 11.9064 13.6068 -22.6277 31.3101 -22.6276 20.4261 GPRESSAVG: 2779400 19.3088 12.6818 31.9094 10.8366 13.7983 -23.6779 32.2557 -23.4709 21.0254 TIMING: 2779400 CPU: 8287.36, 0.00306282/step Wall: 8287.36, 0.00306282/step, 1.88925 hours remaining, 206.148438 MB of memory in use. ENERGY: 2779400 788.7794 2125.5555 1930.4144 106.2680 -205831.3323 17573.3647 0.0000 0.0000 34080.3854 -149226.5649 297.6325 -183306.9503 -149133.4986 299.3742 -164.9299 -127.2503 558447.9804 18.1541 18.0442 PRESSURE: 2779600 144.076 -64.5196 -73.1526 -64.5204 71.3396 187.462 -73.1541 187.461 107.087 GPRESSURE: 2779600 197.386 -69.866 -44.6998 -60.7402 66.0945 281.907 -66.8556 143.099 143.144 PRESSAVG: 2779600 43.7401 25.657 1.63164 25.657 -9.39488 -25.0721 1.63161 -25.0723 -43.1715 GPRESSAVG: 2779600 44.4415 26.3132 0.803921 25.0725 -9.42241 -26.3555 2.22594 -23.8489 -44.3224 TIMING: 2779600 CPU: 8287.96, 0.00302732/step Wall: 8287.96, 0.00302732/step, 1.86718 hours remaining, 206.148438 MB of memory in use. ENERGY: 2779600 800.1029 2116.2647 1962.4743 115.4390 -206341.5649 17975.6428 0.0000 0.0000 34365.9400 -149005.7011 300.1263 -183371.6411 -148915.1774 298.6312 107.5009 135.5416 557044.8493 -2.9421 -3.1011 PRESSURE: 2779800 -38.2014 112.068 -59.6714 112.068 -57.4427 37.66 -59.6717 37.6604 -148.299 GPRESSURE: 2779800 29.543 37.4439 -58.963 130.948 -21.761 92.7615 32.9762 61.7227 -147.84 PRESSAVG: 2779800 22.0954 -0.176396 -0.0717918 -0.176342 -31.685 45.2421 -0.071807 45.242 0.844053 GPRESSAVG: 2779800 22.2354 0.976959 0.542646 -1.23003 -31.6991 45.5791 -1.21729 46.5238 0.786195 TIMING: 2779800 CPU: 8288.57, 0.00303056/step Wall: 8288.57, 0.00303056/step, 1.86901 hours remaining, 206.148438 MB of memory in use. ENERGY: 2779800 806.3660 2082.2577 1937.8734 108.9802 -205761.3395 17548.2648 0.0000 0.0000 34108.1292 -149169.4682 297.8748 -183277.5973 -149073.6907 300.5014 -81.3143 -46.6861 556195.0330 -2.9152 -2.8925 PRESSURE: 2780000 67.6152 -50.157 -66.4758 -50.1575 44.0247 -46.9485 -66.4743 -46.9494 149.277 GPRESSURE: 2780000 70.3884 -54.3383 -13.8925 -18.5656 120.429 -97.647 -106.035 9.37184 151.293 PRESSAVG: 2780000 5.66972 -5.84521 2.39003 -5.84518 19.2351 -38.0081 2.39007 -38.008 -9.24607 GPRESSAVG: 2780000 5.61845 -7.21021 4.58353 -2.95511 19.1654 -35.7413 2.79081 -40.8483 -9.39336 TIMING: 2780000 CPU: 8289.18, 0.00304017/step Wall: 8289.18, 0.00304017/step, 1.87477 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: 2780000 762.1144 2112.7602 1947.4348 121.9882 -206125.2115 17764.8115 0.0000 0.0000 34241.5602 -149174.5421 299.0401 -183416.1023 -149072.8431 299.6535 86.9723 114.0368 556761.8133 5.2196 5.1302 PRESSURE: 2780200 -146.965 -30.1147 321.688 -30.1144 -487.224 13.7611 321.689 13.762 44.2169 GPRESSURE: 2780200 -124.307 24.3766 338.532 -50.4928 -400.382 -24.8149 229.144 16.8837 27.0335 PRESSAVG: 2780200 -17.9698 -33.2333 14.499 -33.2333 10.0497 -33.252 14.499 -33.252 18.0802 GPRESSAVG: 2780200 -18.171 -34.1932 13.1059 -33.9472 9.7071 -34.3612 12.5167 -30.2374 18.5664 TIMING: 2780200 CPU: 8289.78, 0.00303893/step Wall: 8289.78, 0.00303893/step, 1.87384 hours remaining, 206.148438 MB of memory in use. ENERGY: 2780200 765.8061 2078.6086 1959.3130 131.0428 -205666.6921 17357.4343 0.0000 0.0000 34297.3844 -149077.1027 299.5276 -183374.4871 -148980.5656 299.9386 -196.6572 -165.8850 559058.7503 3.3867 3.3675 LDB: ============= START OF LOAD BALANCING ============== 8293.22 LDB: ============== END OF LOAD BALANCING =============== 8293.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8293.22 LDB: ============= START OF LOAD BALANCING ============== 8293.53 LDB: Largest compute 4821 load 0.026541 is 22.5% of average load 0.118008 LDB: Average compute 0.001748 is 1.5% of average load 0.118008 LDB: TIME 8293.53 LOAD: AVG 0.118008 MAX 0.209041 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 8293.53 LOAD: AVG 0.118008 MAX 0.209041 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.059 MB LDB: TIME 8293.53 LOAD: AVG 0.118008 MAX 0.209041 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8293.53 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8293.54 PRESSURE: 2780400 50.627 -39.22 70.2531 -39.2203 -72.3822 -98.8698 70.253 -98.8696 168.065 GPRESSURE: 2780400 65.6942 2.6015 142.996 21.4226 -111.936 -74.0357 33.1393 -150.001 269.095 PRESSAVG: 2780400 -57.1288 -4.82251 10.1797 -4.82257 -20.5429 -9.32538 10.1797 -9.32541 64.7522 GPRESSAVG: 2780400 -57.3617 -2.16585 9.64092 -4.55471 -21.2344 -8.83479 12.6977 -11.7813 65.3963 TIMING: 2780400 CPU: 8290.41, 0.00311366/step Wall: 8290.41, 0.00311366/step, 1.91974 hours remaining, 205.488281 MB of memory in use. ENERGY: 2780400 736.1846 2087.0701 1964.5894 120.5368 -206200.0657 17875.2157 0.0000 0.0000 34392.3045 -149024.1645 300.3565 -183416.4690 -148931.8460 299.4157 48.7698 74.2844 559331.4384 -4.3065 -4.3999 PRESSURE: 2780600 -177.83 106.4 178.81 106.4 5.50665 -4.70284 178.812 -4.70217 93.5725 GPRESSURE: 2780600 -212.57 34.7821 254.709 86.3036 69.3506 -83.3749 93.0098 20.6944 150.122 PRESSAVG: 2780600 -32.4884 -12.757 -57.9727 -12.7569 30.4754 -7.18324 -57.9727 -7.18326 -33.2075 GPRESSAVG: 2780600 -32.6221 -15.2603 -57.1482 -11.9209 31.4837 -7.1463 -58.0527 -6.6832 -33.9252 TIMING: 2780600 CPU: 8291.01, 0.00303371/step Wall: 8291.01, 0.00303371/step, 1.87028 hours remaining, 205.488281 MB of memory in use. ENERGY: 2780600 736.5878 2091.3698 1961.8496 119.1983 -205998.8711 17735.2059 0.0000 0.0000 34340.0084 -149014.6514 299.8998 -183354.6597 -148922.4752 299.9553 -26.2503 2.3007 559200.8475 -11.7402 -11.6879 PRESSURE: 2780800 41.3911 -201.856 176.036 -201.856 134.795 97.6408 176.036 97.6407 -15.4501 GPRESSURE: 2780800 47.446 -129.714 194.361 -238.23 137.949 127.737 124.974 75.2574 69.5404 PRESSAVG: 2780800 -44.3819 -45.6236 15.9047 -45.6236 4.18227 12.4397 15.9047 12.4397 -10.9514 GPRESSAVG: 2780800 -43.9223 -43.6196 15.7541 -46.2514 3.27257 11.8535 13.4876 13.5227 -10.9502 TIMING: 2780800 CPU: 8291.62, 0.00303414/step Wall: 8291.62, 0.00303414/step, 1.87038 hours remaining, 205.488281 MB of memory in use. ENERGY: 2780800 778.6291 2164.1352 1935.2375 113.1214 -206151.9817 17850.2799 0.0000 0.0000 34333.0271 -148977.5515 299.8389 -183310.5786 -148880.8560 300.4249 53.5788 84.9784 557324.5576 -17.0503 -17.2000 PRESSURE: 2781000 -14.0155 -231.679 -75.9147 -231.678 198.749 -163.012 -75.914 -163.011 -196.615 GPRESSURE: 2781000 20.4892 -187.872 -28.2809 -261.805 153.104 -220.495 -75.3555 -162.802 -100.947 PRESSAVG: 2781000 -9.57987 -46.3454 18.6795 -46.3452 10.7842 -51.3442 18.6794 -51.3442 16.4451 GPRESSAVG: 2781000 -8.82911 -47.7178 19.1636 -46.4039 10.3844 -51.237 19.584 -51.3694 16.3474 TIMING: 2781000 CPU: 8292.23, 0.00302042/step Wall: 8292.23, 0.00302042/step, 1.86175 hours remaining, 205.488281 MB of memory in use. ENERGY: 2781000 712.2158 2092.7913 1942.9076 110.1676 -205986.6061 17808.3466 0.0000 0.0000 34271.6441 -149048.5332 299.3028 -183320.1773 -148951.3230 300.1566 -3.9607 24.2155 558975.2337 5.8832 5.9676 PRESSURE: 2781200 -116.359 7.62228 65.1994 7.62262 240.71 -56.9012 65.1998 -56.9004 243.719 GPRESSURE: 2781200 -45.0703 19.5463 73.8645 27.0659 271.423 -3.95685 70.0253 -159.38 246.944 PRESSAVG: 2781200 -50.0488 -85.301 3.16794 -85.301 49.9386 -14.8925 3.16789 -14.8926 24.8528 GPRESSAVG: 2781200 -50.4635 -84.1194 3.92859 -86.4299 50.4793 -13.5915 3.9659 -15.4549 25.0487 TIMING: 2781200 CPU: 8292.83, 0.00302218/step Wall: 8292.83, 0.00302218/step, 1.86267 hours remaining, 205.488281 MB of memory in use. ENERGY: 2781200 763.2124 2061.6641 1973.1498 115.9758 -206690.2879 18168.1325 0.0000 0.0000 34438.8454 -149169.3078 300.7630 -183608.1532 -149078.9088 299.6321 122.6900 157.7657 557599.8378 8.2475 8.3548 PRESSURE: 2781400 -63.6198 -128.376 -79.4016 -128.377 -119.001 112.583 -79.4031 112.583 -20.8234 GPRESSURE: 2781400 -3.19604 -156.174 -72.7852 -67.086 -82.4764 121.794 -49.736 91.9455 -18.7991 PRESSAVG: 2781400 -122.19 -21.8175 7.80211 -21.8175 56.6446 -1.18254 7.8021 -1.18255 77.9453 GPRESSAVG: 2781400 -122.416 -22.5922 6.13144 -18.3399 56.3473 -0.954211 8.31854 -1.50697 78.7539 TIMING: 2781400 CPU: 8293.43, 0.00301476/step Wall: 8293.43, 0.00301476/step, 1.85793 hours remaining, 205.488281 MB of memory in use. ENERGY: 2781400 760.0602 2107.8054 1943.2023 116.9505 -206030.7303 17673.6280 0.0000 0.0000 34180.2823 -149248.8015 298.5049 -183429.0838 -149154.1683 300.5008 -67.8146 -34.8238 558744.9800 4.1333 4.2283 PRESSURE: 2781600 41.2754 -22.3685 -60.4679 -22.3689 17.5348 20.5573 -60.4689 20.5572 -165.672 GPRESSURE: 2781600 50.67 -56.4568 -31.4407 -62.5886 6.11952 8.49481 -3.12659 17.0153 -69.7329 PRESSAVG: 2781600 20.7489 -4.39271 14.6213 -4.39279 7.79488 6.07606 14.6213 6.07604 -41.9381 GPRESSAVG: 2781600 21.117 -4.97918 13.4593 -5.03444 7.96567 5.45974 15.6865 5.30705 -42.0662 TIMING: 2781600 CPU: 8294.04, 0.00301133/step Wall: 8294.04, 0.00301133/step, 1.85565 hours remaining, 205.488281 MB of memory in use. ENERGY: 2781600 725.0703 2131.7495 1935.3554 119.8668 -206362.4556 17798.0251 0.0000 0.0000 34400.1098 -149252.2788 300.4247 -183652.3885 -149144.4842 299.3305 -35.6207 -4.3145 558561.7604 -4.4648 -4.3278 PRESSURE: 2781800 -91.8684 -130.923 -3.20155 -130.924 122.004 23.2974 -3.20172 23.2972 -10.2257 GPRESSURE: 2781800 -76.1436 -195.919 -52.5803 -178.102 156.525 41.6062 -32.1728 35.3434 23.5365 PRESSAVG: 2781800 3.94142 -82.3723 19.71 -82.3724 19.4803 -28.3058 19.71 -28.3058 -44.8047 GPRESSAVG: 2781800 3.50791 -80.9229 20.3455 -83.744 20.3648 -28.7224 16.898 -27.1897 -45.3085 TIMING: 2781800 CPU: 8294.64, 0.00301206/step Wall: 8294.64, 0.00301206/step, 1.85593 hours remaining, 205.488281 MB of memory in use. ENERGY: 2781800 773.0691 2125.1887 1942.6041 119.6742 -205962.6239 17756.5168 0.0000 0.0000 34217.6045 -149027.9665 298.8309 -183245.5709 -148937.5172 300.0135 6.6368 34.6394 558500.8967 -7.1277 -7.1452 PRESSURE: 2782000 -34.822 -135.176 -79.1116 -135.176 -217.353 -27.2148 -79.1117 -27.2132 264.558 GPRESSURE: 2782000 -41.0731 -95.0924 -30.0851 -58.0242 -188.691 40.2913 -98.5663 -105.124 343.048 PRESSAVG: 2782000 -15.2103 8.72695 20.4065 8.72693 -17.122 0.617454 20.4066 0.617441 7.89813 GPRESSAVG: 2782000 -14.1464 9.55545 21.1143 8.98101 -16.9963 2.17438 20.0603 0.0899767 7.17689 TIMING: 2782000 CPU: 8295.24, 0.00299652/step Wall: 8295.24, 0.00299652/step, 1.84619 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: 2782000 768.3449 2090.7794 1964.6876 123.7015 -205873.8674 17857.7995 0.0000 0.0000 34024.3134 -149044.2411 297.1428 -183068.5545 -148949.0318 299.6805 4.1276 37.7613 560587.1837 -8.1447 -7.9886 PRESSURE: 2782200 315.728 122.91 62.4506 122.91 319.58 234.725 62.4504 234.724 -7.90174 GPRESSURE: 2782200 369.147 89.4403 -78.5429 76.7815 323.572 186.69 -0.739972 288.007 32.3547 PRESSAVG: 2782200 -67.6751 -30.0578 37.144 -30.0578 16.4665 55.5805 37.1441 55.5804 25.4072 GPRESSAVG: 2782200 -67.6379 -32.0879 36.4499 -28.705 15.8482 52.1815 40.1513 56.3979 26.3914 TIMING: 2782200 CPU: 8295.84, 0.00300654/step Wall: 8295.84, 0.00300654/step, 1.85219 hours remaining, 205.488281 MB of memory in use. ENERGY: 2782200 722.1241 2115.9269 1961.2843 116.6434 -206826.4770 18285.9297 0.0000 0.0000 34362.5943 -149261.9743 300.0971 -183624.5686 -149173.5497 300.2011 209.1354 241.6911 558308.4474 -8.6005 -8.4661 PRESSURE: 2782400 131.928 -0.502231 145.58 -0.502257 131.871 97.4204 145.581 97.4185 20.1897 GPRESSURE: 2782400 152.819 14.9876 106.882 -6.54398 119.442 160.632 147.449 43.7471 115.434 PRESSAVG: 2782400 2.11536 11.3191 40.2392 11.3191 -15.7069 43.3051 40.2392 43.3051 39.2369 GPRESSAVG: 2782400 2.17566 11.9364 42.0305 10.6882 -16.3178 45.2481 39.8559 42.7475 39.6213 TIMING: 2782400 CPU: 8296.43, 0.00297718/step Wall: 8296.43, 0.00297718/step, 1.83394 hours remaining, 205.488281 MB of memory in use. ENERGY: 2782400 723.4523 2041.1310 1946.5139 119.3292 -206240.5030 18035.0276 0.0000 0.0000 34146.0273 -149229.0217 298.2057 -183375.0490 -149130.7821 299.2808 94.6630 129.2316 558482.6450 8.5484 8.4931 PRESSURE: 2782600 42.7563 149.037 19.8924 149.037 -124.704 90.0894 19.8919 90.0884 260.037 GPRESSURE: 2782600 79.4632 144.064 -95.6386 199.752 -55.2064 189.033 44.0169 74.9403 247.127 PRESSAVG: 2782600 39.4175 -20.7735 42.5289 -20.7736 -54.7622 5.52922 42.5289 5.52926 14.2176 GPRESSAVG: 2782600 40.0466 -20.9273 40.8379 -20.1193 -54.0461 5.19282 40.2364 7.40271 12.7707 TIMING: 2782600 CPU: 8297.03, 0.00300695/step Wall: 8297.03, 0.00300695/step, 1.85211 hours remaining, 205.488281 MB of memory in use. ENERGY: 2782600 766.0983 2119.5052 1942.2451 119.1736 -206218.7826 17948.3665 0.0000 0.0000 34053.5395 -149269.8544 297.3980 -183323.3939 -149172.3568 299.1942 59.3629 90.4612 556750.8599 -0.3757 -0.4096 PRESSURE: 2782800 -8.4326 -232.425 186.337 -232.426 192.069 199.606 186.337 199.607 -30.3365 GPRESSURE: 2782800 43.7274 -267.022 144.891 -186.131 151.666 207.04 183.753 156.316 41.4067 PRESSAVG: 2782800 -70.1759 23.0974 56.1711 23.0973 37.7429 26.0214 56.1711 26.0215 43.9104 GPRESSAVG: 2782800 -71.0018 22.9213 56.6134 22.224 37.9611 25.9029 56.43 23.9186 44.527 TIMING: 2782800 CPU: 8297.64, 0.00301069/step Wall: 8297.64, 0.00301069/step, 1.85425 hours remaining, 205.488281 MB of memory in use. ENERGY: 2782800 776.5479 2112.2681 1952.7746 110.8767 -206260.9974 17952.7053 0.0000 0.0000 34069.8964 -149285.9284 297.5409 -183355.8248 -149189.0054 298.8856 51.0999 78.9334 557373.4110 3.8258 3.8287 PRESSURE: 2783000 -138.998 67.2176 -6.98618 67.2181 -36.0391 -7.76932 -6.98572 -7.76992 -116.081 GPRESSURE: 2783000 -72.4374 35.5122 62.4842 131.639 -37.9987 2.38128 30.368 -17.5422 -77.396 PRESSAVG: 2783000 -22.3467 -21.548 48.4898 -21.548 10.437 -16.6885 48.4899 -16.6886 5.51233 GPRESSAVG: 2783000 -22.5708 -21.8232 48.5736 -20.6762 11.0307 -17.4786 48.3733 -16.6693 4.50678 TIMING: 2783000 CPU: 8298.24, 0.0030247/step Wall: 8298.24, 0.0030247/step, 1.86271 hours remaining, 205.488281 MB of memory in use. ENERGY: 2783000 758.4154 2099.6016 1966.6415 103.7558 -206258.9221 17819.1837 0.0000 0.0000 34338.1531 -149173.1709 299.8836 -183511.3240 -149081.0902 300.1158 -97.0393 -62.6107 558648.2668 -2.1325 -2.3444 PRESSURE: 2783200 -266.671 -17.3475 146.02 -17.3485 -65.1747 -146.329 146.018 -146.329 -397.254 GPRESSURE: 2783200 -283.8 -115.654 78.276 38.3569 11.2783 -229.423 188.523 -145.587 -365.825 PRESSAVG: 2783200 -38.8249 17.1978 34.539 17.1978 57.1949 50.0506 34.539 50.0505 -51.776 GPRESSAVG: 2783200 -39.5084 15.2255 35.2334 17.2308 56.2956 48.9714 35.8309 52.0083 -51.0096 TIMING: 2783200 CPU: 8298.85, 0.00302744/step Wall: 8298.85, 0.00302744/step, 1.86423 hours remaining, 205.488281 MB of memory in use. ENERGY: 2783200 788.9652 2071.0496 1921.9759 109.8816 -205721.1008 17471.0634 0.0000 0.0000 34268.8983 -149089.2668 299.2788 -183358.1651 -148989.2261 299.2201 -243.0332 -212.7824 558806.3395 -11.1353 -11.4075 PRESSURE: 2783400 -18.7166 70.4192 -47.8008 70.4182 -55.1088 118.428 -47.8013 118.428 -138.803 GPRESSURE: 2783400 1.31008 6.0781 -39.4162 96.7815 63.1316 84.3867 -80.9141 89.6291 -197.249 PRESSAVG: 2783400 87.0771 -10.1326 6.90595 -10.1327 8.10763 -18.0732 6.90597 -18.0733 -86.941 GPRESSAVG: 2783400 87.9527 -8.62537 6.07581 -10.8823 8.36932 -16.1354 6.84028 -19.7695 -87.9377 TIMING: 2783400 CPU: 8299.45, 0.00303482/step Wall: 8299.45, 0.00303482/step, 1.86861 hours remaining, 205.488281 MB of memory in use. ENERGY: 2783400 734.3814 2054.3582 1991.6909 118.6950 -206027.8462 17652.5263 0.0000 0.0000 34301.1746 -149175.0198 299.5607 -183476.1944 -149072.9522 299.6337 -70.8762 -44.2692 557767.3602 2.7479 2.7948 PRESSURE: 2783600 -180.834 86.2141 66.1923 86.2149 -153.428 -223.621 66.1928 -223.622 -16.5186 GPRESSURE: 2783600 -139.8 81.0264 97.2716 113.646 -117.669 -174.376 -7.6934 -223.162 -0.904489 PRESSAVG: 2783600 -3.48196 20.8575 -38.9479 20.8576 42.5292 -14.6534 -38.9479 -14.6532 -13.0415 GPRESSAVG: 2783600 -2.76457 22.8491 -37.4788 19.0067 41.6971 -14.2325 -40.3196 -15.2329 -13.1831 TIMING: 2783600 CPU: 8300.07, 0.00305458/step Wall: 8300.07, 0.00305458/step, 1.8806 hours remaining, 205.488281 MB of memory in use. ENERGY: 2783600 720.1938 2095.6494 1961.2303 115.7923 -206221.4953 17751.0403 0.0000 0.0000 34218.1619 -149359.4273 298.8357 -183577.5892 -149260.3260 299.1461 -116.9267 -86.1246 558000.8413 8.6686 8.5831 PRESSURE: 2783800 -171.14 63.2734 167.154 63.2738 -89.3236 29.9033 167.155 29.9042 -174.748 GPRESSURE: 2783800 -167.885 19.1272 130.237 87.5224 -63.8201 62.2416 115.133 -26.0211 -116.12 PRESSAVG: 2783800 -40.1201 4.86117 48.1803 4.86124 2.87739 -45.5996 48.1803 -45.5996 32.1372 GPRESSAVG: 2783800 -40.1719 5.07625 46.4857 5.81108 3.48952 -45.0792 47.9334 -45.6675 31.8389 TIMING: 2783800 CPU: 8300.68, 0.00305371/step Wall: 8300.68, 0.00305371/step, 1.8799 hours remaining, 205.488281 MB of memory in use. ENERGY: 2783800 742.1765 2135.7251 1938.8492 115.4123 -206168.1440 17741.6807 0.0000 0.0000 34086.7019 -149407.5983 297.6876 -183494.3002 -149308.6466 298.7516 -145.0706 -115.9419 559672.9147 -1.7018 -1.6145 PRESSURE: 2784000 -115.535 118.286 -3.36968 118.287 -159.814 13.5834 -3.36962 13.5826 275.079 GPRESSURE: 2784000 -74.2728 73.0264 -28.7627 74.235 -131.707 -62.6572 106.388 -56.8365 298.385 PRESSAVG: 2784000 -59.4218 22.4108 14.0892 22.4109 34.1067 -52.5414 14.0892 -52.5415 -16.7201 GPRESSAVG: 2784000 -60.6601 21.5641 14.9911 22.6219 33.7483 -53.4384 15.2568 -52.8489 -15.3533 TIMING: 2784000 CPU: 8301.28, 0.00303755/step Wall: 8301.28, 0.00303755/step, 1.86978 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: 2784000 737.6074 2099.5595 1947.8379 128.3971 -206398.1201 17944.9210 0.0000 0.0000 34317.6270 -149222.1702 299.7044 -183539.7972 -149126.2532 298.5117 -0.0900 30.8019 559325.8971 -14.0117 -14.0884 PRESSURE: 2784200 -333.304 -207.47 42.9966 -207.47 -24.1916 35.6817 42.996 35.681 -18.8347 GPRESSURE: 2784200 -306.723 -200.089 79.4207 -246.628 11.4992 23.7962 -3.69758 72.6688 15.3537 PRESSAVG: 2784200 -52.0874 -38.4977 37.3472 -38.4977 46.4447 3.81298 37.3471 3.81297 -2.10476 GPRESSAVG: 2784200 -51.858 -37.5161 39.7604 -38.9279 46.8323 2.63127 36.2047 5.6584 -2.92145 TIMING: 2784200 CPU: 8301.88, 0.00299101/step Wall: 8301.88, 0.00299101/step, 1.84096 hours remaining, 205.488281 MB of memory in use. ENERGY: 2784200 751.3690 2073.8874 1923.8928 106.1290 -205897.4491 17551.6407 0.0000 0.0000 34216.3665 -149274.1636 298.8200 -183490.5302 -149178.7356 299.3874 -125.4435 -93.2900 558273.6577 -2.5825 -2.6491 LDB: ============= START OF LOAD BALANCING ============== 8305.32 LDB: ============== END OF LOAD BALANCING =============== 8305.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8305.32 LDB: ============= START OF LOAD BALANCING ============== 8305.63 LDB: Largest compute 4821 load 0.026821 is 22.7% of average load 0.117981 LDB: Average compute 0.001747 is 1.5% of average load 0.117981 LDB: TIME 8305.63 LOAD: AVG 0.117981 MAX 0.209823 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.195 MB LDB: TIME 8305.63 LOAD: AVG 0.117981 MAX 0.209823 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.398 MB LDB: TIME 8305.63 LOAD: AVG 0.117981 MAX 0.209823 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8305.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8305.63 PRESSURE: 2784400 -117.835 -120.912 139.728 -120.912 -174.609 -64.371 139.728 -64.3701 -224.169 GPRESSURE: 2784400 -52.0608 -82.5427 152.221 -104.197 -161.382 -102.755 145.625 -89.2491 -203.448 PRESSAVG: 2784400 10.5006 -33.4027 40.3304 -33.4027 -38.5649 -29.7916 40.3305 -29.7917 4.24793 GPRESSAVG: 2784400 10.2287 -32.4153 37.4048 -32.8554 -39.1547 -28.2874 42.9975 -29.173 4.81398 TIMING: 2784400 CPU: 8302.51, 0.00311984/step Wall: 8302.51, 0.00311984/step, 1.92009 hours remaining, 205.941406 MB of memory in use. ENERGY: 2784400 754.5759 2064.6667 1951.0626 120.6299 -206215.1548 17804.9219 0.0000 0.0000 34383.6504 -149135.6473 300.2810 -183519.2978 -149037.7188 298.9965 -172.2046 -138.9636 558493.6140 -7.9388 -8.0373 PRESSURE: 2784600 -69.0531 104.413 52.8513 104.414 8.51265 5.33153 52.8516 5.33291 -81.0169 GPRESSURE: 2784600 -55.1367 40.8726 -37.4787 165.31 42.6121 36.4114 102.657 -13.8048 -34.9377 PRESSAVG: 2784600 3.4313 -32.0908 36.0308 -32.0908 30.0522 4.09671 36.0309 4.09665 -53.6783 GPRESSAVG: 2784600 4.39498 -34.049 35.9286 -31.9686 29.8857 3.85905 34.1069 3.28119 -54.3049 TIMING: 2784600 CPU: 8303.12, 0.00304735/step Wall: 8303.12, 0.00304735/step, 1.87531 hours remaining, 206.144531 MB of memory in use. ENERGY: 2784600 747.3768 2061.2144 1944.4197 127.2739 -206424.9683 17888.0415 0.0000 0.0000 34445.0341 -149211.6079 300.8170 -183656.6420 -149110.8543 299.6466 -47.1858 -15.8208 556514.9173 -6.7316 -6.6747 PRESSURE: 2784800 61.3523 -1.69388 34.0286 -1.69359 -4.0144 -205.142 34.0287 -205.143 -47.4779 GPRESSURE: 2784800 63.6648 17.9589 18.9121 -54.7366 37.6787 -222.653 101.807 -210.374 6.76154 PRESSAVG: 2784800 0.774569 -7.21947 48.4045 -7.21945 34.8953 -14.8486 48.4045 -14.8487 -80.5054 GPRESSAVG: 2784800 -1.2442 -8.46795 47.7161 -7.48504 37.1365 -16.7825 50.744 -14.9048 -80.6989 TIMING: 2784800 CPU: 8303.72, 0.00301846/step Wall: 8303.72, 0.00301846/step, 1.85736 hours remaining, 206.144531 MB of memory in use. ENERGY: 2784800 690.0060 2089.4162 1939.0472 118.1795 -205864.3200 17559.1882 0.0000 0.0000 34369.6366 -149098.8461 300.1586 -183468.4827 -148995.4593 299.5500 3.2866 36.0350 555734.2410 -14.9452 -14.9356 PRESSURE: 2785000 3.0813 -183.742 79.1879 -183.743 -72.8752 -102.47 79.1874 -102.47 189.109 GPRESSURE: 2785000 42.5951 -110.231 79.0374 -245.549 -25.5512 -83.4445 126.856 -7.26131 191.909 PRESSAVG: 2785000 11.7786 -20.3814 15.7555 -20.3813 29.3974 -34.8694 15.7555 -34.8694 -7.94228 GPRESSAVG: 2785000 12.6017 -17.4416 14.8427 -21.5595 27.3133 -32.5002 15.644 -34.3785 -6.94477 TIMING: 2785000 CPU: 8304.33, 0.00303427/step Wall: 8304.33, 0.00303427/step, 1.86692 hours remaining, 206.144531 MB of memory in use. ENERGY: 2785000 768.3022 2042.8174 1960.4345 113.3390 -206336.0034 18034.6881 0.0000 0.0000 34291.0536 -149125.3686 299.4723 -183416.4222 -149024.3702 299.9067 39.7718 69.6509 557218.6193 11.0779 10.9901 PRESSURE: 2785200 0.921841 -82.36 67.9014 -82.3605 74.848 -8.56683 67.9032 -8.56603 -41.0661 GPRESSURE: 2785200 114.508 -100.89 109.798 -68.1302 77.4833 2.591 103.163 47.0711 -64.1024 PRESSAVG: 2785200 -29.1505 5.03379 46.4417 5.03376 49.3141 44.3409 46.4418 44.341 8.4464 GPRESSAVG: 2785200 -28.9932 4.97706 47.8149 4.64868 50.5008 42.796 44.482 44.062 7.32432 TIMING: 2785200 CPU: 8304.93, 0.00301874/step Wall: 8304.93, 0.00301874/step, 1.8572 hours remaining, 206.144531 MB of memory in use. ENERGY: 2785200 757.9634 2110.2460 1937.7488 113.8165 -206241.1944 17815.9453 0.0000 0.0000 34398.8328 -149106.6416 300.4136 -183505.4744 -149017.5727 299.8232 11.5679 42.6296 557289.8348 9.5366 9.6106 PRESSURE: 2785400 -152.094 -0.614416 -31.9389 -0.614544 68.0049 -47.5332 -31.9379 -47.5347 212.466 GPRESSURE: 2785400 -98.2908 -2.85946 -0.288569 73.0413 127.136 -43.4169 -116.514 -87.1989 202.819 PRESSAVG: 2785400 -47.3833 -7.48659 -15.4138 -7.48657 55.3072 59.7406 -15.4138 59.7406 -60.6104 GPRESSAVG: 2785400 -47.598 -8.56099 -14.3235 -6.726 54.6477 59.6195 -15.7435 60.6704 -59.5638 TIMING: 2785400 CPU: 8305.53, 0.00301965/step Wall: 8305.53, 0.00301965/step, 1.85759 hours remaining, 206.144531 MB of memory in use. ENERGY: 2785400 757.7365 2089.1393 1940.4156 108.4485 -206350.2867 17978.9255 0.0000 0.0000 34101.1989 -149374.4223 297.8143 -183475.6213 -149284.6620 298.6971 42.7924 77.2216 557539.2303 -17.5622 -17.5047 PRESSURE: 2785600 -51.2584 -34.778 14.8992 -34.7791 -20.3543 -138.542 14.899 -138.542 -31.068 GPRESSURE: 2785600 -81.1737 -45.2911 4.68144 -102.35 52.1589 -145.732 76.5679 -67.1924 21.3352 PRESSAVG: 2785600 -40.7316 -36.0771 7.26215 -36.0772 75.2433 -39.3815 7.26205 -39.3814 -22.9252 GPRESSAVG: 2785600 -41.9059 -36.6297 4.93942 -32.874 75.9973 -37.1881 10.1752 -41.1289 -22.9745 TIMING: 2785600 CPU: 8306.14, 0.00303605/step Wall: 8306.14, 0.00303605/step, 1.86751 hours remaining, 206.144531 MB of memory in use. ENERGY: 2785600 745.5287 2127.3527 1930.3566 109.5183 -206182.3703 17688.7850 0.0000 0.0000 34139.7410 -149441.0880 298.1508 -183580.8290 -149347.6952 298.7671 -34.2269 -2.5599 555897.0640 3.8622 3.7056 PRESSURE: 2785800 -254.99 -111.023 -228.951 -111.024 37.7805 -25.0054 -228.951 -25.0055 4.66875 GPRESSURE: 2785800 -205.733 -79.1213 -111.668 -125.317 52.2861 -27.3348 -175.854 -40.2644 33.1359 PRESSAVG: 2785800 -48.0806 -5.66306 26.5587 -5.66296 65.1306 -18.7839 26.5589 -18.7839 -53.2875 GPRESSAVG: 2785800 -47.8174 -3.17401 28.6909 -10.0461 64.6699 -20.0736 24.8921 -18.5649 -53.8088 TIMING: 2785800 CPU: 8306.75, 0.00304229/step Wall: 8306.75, 0.00304229/step, 1.87118 hours remaining, 206.144531 MB of memory in use. ENERGY: 2785800 706.5729 2124.3809 1941.7132 98.1705 -205972.7606 17568.1831 0.0000 0.0000 34265.4507 -149268.2893 299.2487 -183533.7400 -149171.9733 298.5780 -70.8469 -40.1035 557551.1853 -12.0791 -12.3188 PRESSURE: 2786000 91.219 139.834 -26.023 139.833 105.668 20.3335 -26.0235 20.3326 331.034 GPRESSURE: 2786000 112.405 148.197 -19.7405 162.664 151.506 -34.0929 -9.70737 -33.9139 355.016 PRESSAVG: 2786000 -22.3161 -18.0016 26.343 -18.0016 26.919 49.6178 26.3431 49.6178 -48.5583 GPRESSAVG: 2786000 -20.6082 -18.106 25.4012 -16.3055 26.5214 50.1964 24.4461 49.3271 -49.5893 TIMING: 2786000 CPU: 8307.35, 0.00302001/step Wall: 8307.35, 0.00302001/step, 1.85731 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: 2786000 757.3767 2141.2168 1925.9360 111.5569 -206491.3941 18065.2746 0.0000 0.0000 34177.6933 -149312.3398 298.4823 -183490.0331 -149214.8686 299.4676 175.9738 206.3091 556204.4924 -14.6518 -14.5587 PRESSURE: 2786200 -112.949 -147.607 -137.856 -147.608 215.82 66.0959 -137.856 66.0957 -153.546 GPRESSURE: 2786200 -22.5163 -119.288 -136.63 -147.289 212.613 62.4954 -93.7833 131.013 -147.513 PRESSAVG: 2786200 -34.8153 -33.65 -37.9008 -33.6499 45.5069 50.2415 -37.9008 50.2414 -4.65361 GPRESSAVG: 2786200 -36.0369 -34.7458 -38.7479 -35.1956 45.821 47.4144 -36.008 52.6624 -4.18675 TIMING: 2786200 CPU: 8307.96, 0.00302511/step Wall: 8307.96, 0.00302511/step, 1.86027 hours remaining, 206.144531 MB of memory in use. ENERGY: 2786200 715.0719 2133.4012 1950.3339 106.7956 -206232.3604 17758.7816 0.0000 0.0000 34139.9288 -149428.0473 298.1525 -183567.9761 -149338.0004 298.4498 -16.8917 14.1943 556680.1313 2.0127 1.8658 PRESSURE: 2786400 73.9392 -79.1327 13.286 -79.1341 203.549 -61.7258 13.2861 -61.7253 -7.37171 GPRESSURE: 2786400 68.2033 -74.4129 -3.85943 -95.3805 199.797 -83.633 -63.995 -87.4541 96.3182 PRESSAVG: 2786400 33.6564 13.5407 -43.0836 13.5408 33.2247 30.41 -43.0835 30.4101 -55.0092 GPRESSAVG: 2786400 33.239 14.9512 -43.7477 13.8636 32.5576 34.5131 -42.015 27.0502 -54.2101 TIMING: 2786400 CPU: 8308.56, 0.00301791/step Wall: 8308.56, 0.00301791/step, 1.85568 hours remaining, 206.144531 MB of memory in use. ENERGY: 2786400 738.1713 2089.9849 1958.1582 104.5405 -206515.5348 17999.0467 0.0000 0.0000 34194.4728 -149431.1604 298.6288 -183625.6332 -149333.4493 298.3510 90.0387 121.4396 557732.9289 3.9573 3.8622 PRESSURE: 2786600 -2.42411 -21.4954 58.8465 -21.4951 28.8932 -9.99511 58.848 -9.99577 10.1845 GPRESSURE: 2786600 18.5606 61.7619 89.318 -29.5589 89.8245 2.36854 57.6521 -10.3672 35.7879 PRESSAVG: 2786600 46.8786 -40.5853 9.74593 -40.5853 30.0874 -33.0247 9.74598 -33.0247 -94.1811 GPRESSAVG: 2786600 47.6738 -42.2769 11.1714 -38.7014 30.1576 -34.9159 8.80314 -32.2324 -94.8169 TIMING: 2786600 CPU: 8309.17, 0.00303063/step Wall: 8309.17, 0.00303063/step, 1.86333 hours remaining, 206.144531 MB of memory in use. ENERGY: 2786600 808.5198 2068.0898 1955.4603 116.5431 -206373.6849 18116.6286 0.0000 0.0000 33981.3673 -149327.0759 296.7677 -183308.4432 -149236.0706 298.9050 12.2179 48.0576 557381.3689 -5.7384 -5.6618 PRESSURE: 2786800 -50.5608 -114.672 -39.3541 -114.671 -115.812 27.1723 -39.3537 27.1716 -7.26737 GPRESSURE: 2786800 0.684955 -116.745 -75.2448 -159.124 -99.9631 45.8558 66.5407 31.9636 12.5844 PRESSAVG: 2786800 -15.0472 5.67083 39.6466 5.67089 44.3494 5.4339 39.6466 5.4338 5.07736 GPRESSAVG: 2786800 -15.9125 5.05594 39.5765 4.62512 44.4657 6.63081 41.935 4.3657 6.01587 TIMING: 2786800 CPU: 8309.77, 0.00300628/step Wall: 8309.77, 0.00300628/step, 1.8482 hours remaining, 206.144531 MB of memory in use. ENERGY: 2786800 722.2851 2142.0254 1950.6137 128.1932 -206304.5604 17717.7947 0.0000 0.0000 34292.6040 -149351.0442 299.4858 -183643.6483 -149251.8852 298.6822 -57.8802 -28.8979 557754.6610 11.4598 11.5230 PRESSURE: 2787000 -355.46 76.7286 182.581 76.7274 -80.2454 -9.29436 182.581 -9.29503 -91.7844 GPRESSURE: 2787000 -290.628 13.6561 202.723 127.664 -27.8118 47.8865 88.4533 -52.2073 -105.103 PRESSAVG: 2787000 -18.808 21.6309 -5.02584 21.6308 3.99258 -25.676 -5.02586 -25.6759 -6.63728 GPRESSAVG: 2787000 -18.0536 23.5948 -3.27883 20.9018 4.98621 -26.9481 -7.37475 -24.1035 -8.33255 TIMING: 2787000 CPU: 8310.37, 0.00302248/step Wall: 8310.37, 0.00302248/step, 1.85799 hours remaining, 206.144531 MB of memory in use. ENERGY: 2787000 765.6142 2113.3723 1960.0023 113.3134 -206088.2013 17469.5116 0.0000 0.0000 34394.2466 -149272.1408 300.3735 -183666.3874 -149172.1168 298.1735 -175.8298 -141.1808 557945.6019 -7.1509 -7.1333 PRESSURE: 2787200 53.6335 -13.4178 -12.0954 -13.418 75.2415 23.3272 -12.0959 23.3265 -72.6346 GPRESSURE: 2787200 116.569 69.6066 181.277 -41.4019 43.5131 -6.62913 -124.02 62.4369 -3.26707 PRESSAVG: 2787200 -18.3068 46.9246 31.7376 46.9246 27.9053 4.04907 31.7375 4.04898 23.8764 GPRESSAVG: 2787200 -19.1831 44.3258 31.6133 50.1629 27.5201 3.69187 30.8931 4.15172 25.763 TIMING: 2787200 CPU: 8310.98, 0.00300747/step Wall: 8310.98, 0.00300747/step, 1.84859 hours remaining, 206.144531 MB of memory in use. ENERGY: 2787200 729.5840 2165.8835 1930.1807 120.7289 -206356.9605 17887.2849 0.0000 0.0000 34196.2633 -149327.0352 298.6445 -183523.2985 -149230.5249 299.0624 18.7468 52.2717 558003.0346 11.1583 11.3667 PRESSURE: 2787400 -378.482 -89.4144 -5.43533 -89.4159 -417.933 19.6145 -5.43583 19.6142 -478.507 GPRESSURE: 2787400 -299.092 -118.109 69.4044 -154.142 -375.891 18.5548 -86.063 72.59 -499.754 PRESSAVG: 2787400 48.8409 26.5547 43.0054 26.5547 -44.4847 17.2585 43.0053 17.2585 -25.7993 GPRESSAVG: 2787400 48.8082 28.685 40.1406 24.5164 -44.6164 18.0404 45.7311 15.0494 -26.0476 TIMING: 2787400 CPU: 8311.57, 0.00298385/step Wall: 8311.57, 0.00298385/step, 1.83391 hours remaining, 206.144531 MB of memory in use. ENERGY: 2787400 799.5649 2105.1445 1941.6491 108.8807 -205608.0911 17249.9518 0.0000 0.0000 34313.0521 -149089.8479 299.6644 -183402.9000 -148995.6835 299.3220 -424.9742 -391.5790 559083.5411 -7.1477 -7.2853 PRESSURE: 2787600 -156.687 -46.4009 91.7996 -46.4029 -196.009 -172.668 91.8001 -172.669 -14.9464 GPRESSURE: 2787600 -130.181 -44.748 -21.1255 -82.3382 -152.068 -143.795 130.171 -179.658 23.2558 PRESSAVG: 2787600 21.5916 5.38255 3.29225 5.38251 -55.2476 -40.9878 3.29224 -40.9877 32.5794 GPRESSAVG: 2787600 22.0661 3.84716 6.32894 4.6079 -55.4661 -41.9094 1.76986 -38.5295 32.302 TIMING: 2787600 CPU: 8312.17, 0.00300511/step Wall: 8312.17, 0.00300511/step, 1.84681 hours remaining, 206.144531 MB of memory in use. ENERGY: 2787600 744.4288 2064.7424 1952.6906 113.6137 -205695.7999 17564.9609 0.0000 0.0000 34327.3347 -148928.0287 299.7892 -183255.3634 -148831.0989 299.8039 -122.5475 -86.3311 559903.8688 -0.3589 -0.3660 PRESSURE: 2787800 -94.3659 -7.3219 -100.78 -7.32246 -130.248 -89.0748 -100.781 -89.0751 37.0467 GPRESSURE: 2787800 -58.8784 -38.6162 -200.101 -9.86718 -41.3123 -74.6506 -120.8 -103.236 7.50244 PRESSAVG: 2787800 -86.9423 -50.7731 -22.1332 -50.7731 -13.6152 -41.8205 -22.1332 -41.8204 53.0631 GPRESSAVG: 2787800 -86.3462 -50.1658 -22.4499 -49.202 -13.6653 -40.8846 -22.7385 -43.1715 52.6834 TIMING: 2787800 CPU: 8312.77, 0.0029813/step Wall: 8312.77, 0.0029813/step, 1.83201 hours remaining, 206.144531 MB of memory in use. ENERGY: 2787800 771.6642 2146.5187 1941.7223 108.1731 -206123.4085 17724.5383 0.0000 0.0000 34443.6847 -148987.1072 300.8053 -183430.7919 -148898.2756 300.3751 -62.5225 -30.8961 557284.1954 -15.8315 -15.7760 PRESSURE: 2788000 125.635 60.4725 69.6357 60.4728 -94.9202 141.968 69.6361 141.968 135.932 GPRESSURE: 2788000 137.985 68.9553 104.694 74.406 -63.4027 37.554 117.133 123.1 178.243 PRESSAVG: 2788000 -43.3848 -51.7963 58.8324 -51.7962 -38.1204 8.87896 58.8324 8.87891 45.0932 GPRESSAVG: 2788000 -43.4432 -52.31 57.8964 -51.479 -38.5463 9.22037 60.6286 8.00318 45.7198 TIMING: 2788000 CPU: 8313.37, 0.00300874/step Wall: 8313.37, 0.00300874/step, 1.8487 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: 2788000 718.2179 2156.1659 1956.8227 104.1762 -206240.3763 17808.4725 0.0000 0.0000 34230.5719 -149265.9492 298.9441 -183496.5211 -149168.7596 299.5791 55.5491 84.2750 557026.3444 -12.1373 -12.0899 PRESSURE: 2788200 -123.692 -69.4044 43.4324 -69.4032 -134.009 129.853 43.4335 129.854 -114.773 GPRESSURE: 2788200 -121.948 23.2238 -7.67072 -86.9764 -84.9443 114.489 74.1284 135.545 -71.5025 PRESSAVG: 2788200 44.8012 -24.6704 49.7519 -24.6705 -17.905 -46.4887 49.7519 -46.4886 27.4193 GPRESSAVG: 2788200 44.0197 -24.8358 48.969 -26.7706 -17.659 -47.5105 49.7815 -44.9264 27.3672 TIMING: 2788200 CPU: 8313.97, 0.00298377/step Wall: 8313.97, 0.00298377/step, 1.83319 hours remaining, 206.144531 MB of memory in use. ENERGY: 2788200 746.1248 2187.0569 1940.0026 127.3746 -206097.1832 17560.0925 0.0000 0.0000 34342.0436 -149194.4882 299.9176 -183536.5318 -149101.3464 299.0881 -124.1579 -92.7984 556908.5378 18.1052 17.9093 LDB: ============= START OF LOAD BALANCING ============== 8317.4 LDB: ============== END OF LOAD BALANCING =============== 8317.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8317.4 LDB: ============= START OF LOAD BALANCING ============== 8317.7 LDB: Largest compute 4821 load 0.027095 is 23.0% of average load 0.118028 LDB: Average compute 0.001750 is 1.5% of average load 0.118028 LDB: TIME 8317.7 LOAD: AVG 0.118028 MAX 0.206156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 8317.7 LOAD: AVG 0.118028 MAX 0.206156 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 8317.7 LOAD: AVG 0.118028 MAX 0.206156 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 8317.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8317.71 PRESSURE: 2788400 194.611 -73.321 -27.1174 -73.3216 -234.973 71.3042 -27.1161 71.3037 362.443 GPRESSURE: 2788400 224.822 -54.2378 -6.41146 -60.2116 -205.528 13.7963 -60.2608 42.4593 404.533 PRESSAVG: 2788400 24.6578 -37.8858 27.267 -37.8858 -55.477 67.0417 27.267 67.0417 27.9363 GPRESSAVG: 2788400 25.5343 -38.8716 26.962 -37.8015 -56.98 66.8102 26.1761 68.5495 27.978 TIMING: 2788400 CPU: 8314.58, 0.00306388/step Wall: 8314.58, 0.00306388/step, 1.88225 hours remaining, 206.507812 MB of memory in use. ENERGY: 2788400 737.4302 2057.5269 1980.4244 110.1287 -206495.8215 18002.1127 0.0000 0.0000 34386.9966 -149221.2021 300.3102 -183608.1987 -149114.3656 299.6239 107.3603 141.2757 556708.1774 -0.9610 -1.1559 PRESSURE: 2788600 5.75966 125.567 155.281 125.567 -73.844 -123.399 155.281 -123.398 -163.191 GPRESSURE: 2788600 41.9147 192.217 190.721 114.637 -54.7438 -107.217 82.3312 -223.489 -114.138 PRESSAVG: 2788600 -17.3821 1.955 89.5996 1.95496 -57.7046 11.2781 89.5996 11.2781 61.4899 GPRESSAVG: 2788600 -18.0893 3.57904 90.1374 2.87109 -57.6187 11.9749 90.5379 9.24236 61.4032 TIMING: 2788600 CPU: 8315.18, 0.00299919/step Wall: 8315.18, 0.0029992/step, 1.84234 hours remaining, 206.710938 MB of memory in use. ENERGY: 2788600 768.5666 2108.2977 1927.4959 123.7665 -206634.8658 18002.1504 0.0000 0.0000 34446.3097 -149258.2790 300.8282 -183704.5887 -149169.7579 300.0417 -77.0918 -42.3225 558331.8138 -4.5323 -4.7683 PRESSURE: 2788800 -73.6044 -17.4382 120.834 -17.4391 -124.896 -15.8056 120.833 -15.8042 -9.14493 GPRESSURE: 2788800 14.4524 35.0907 120.638 -102.075 -140.044 -61.0172 116.027 -37.0274 10.59 PRESSAVG: 2788800 18.5849 -40.4679 40.8058 -40.4679 -30.3089 50.9103 40.8057 50.9103 33.7726 GPRESSAVG: 2788800 18.0867 -40.2019 40.9719 -42.6107 -29.5816 49.7669 42.1909 52.3845 33.4458 TIMING: 2788800 CPU: 8315.78, 0.0030161/step Wall: 8315.78, 0.0030161/step, 1.85256 hours remaining, 206.710938 MB of memory in use. ENERGY: 2788800 756.7216 2106.3517 1964.7312 112.4035 -205946.5660 17653.5392 0.0000 0.0000 34259.4405 -149093.3783 299.1962 -183352.8188 -148997.0194 299.8073 -69.2151 -38.3339 557106.9883 7.3495 7.3170 PRESSURE: 2789000 -324.419 172.584 -179.913 172.583 -217.689 -50.0073 -179.912 -50.0077 -318.291 GPRESSURE: 2789000 -287.414 175.053 -191.709 107.979 -155.354 -5.97809 -135.567 42.8338 -314.425 PRESSAVG: 2789000 -10.4653 -21.8591 8.01445 -21.8591 29.003 50.0648 8.01446 50.0648 18.8161 GPRESSAVG: 2789000 -10.4186 -24.6512 9.69683 -18.5213 29.132 52.33 6.86784 48.5365 18.7497 TIMING: 2789000 CPU: 8316.39, 0.0030341/step Wall: 8316.39, 0.0030341/step, 1.86345 hours remaining, 206.710938 MB of memory in use. ENERGY: 2789000 756.2774 2136.1515 1911.2354 99.5459 -205525.8909 17347.7736 0.0000 0.0000 34070.6830 -149204.2240 297.5477 -183274.9071 -149113.0872 299.5923 -286.7993 -252.3974 558378.3802 12.4513 12.4877 PRESSURE: 2789200 60.302 24.6293 -114.481 24.6279 -97.6587 21.096 -114.483 21.097 -132.79 GPRESSURE: 2789200 139.867 -3.28949 -169.392 109.952 -45.1305 -37.0594 -90.0667 82.1881 -162.129 PRESSAVG: 2789200 -84.2644 49.4542 -53.7555 49.4543 22.1263 21.1641 -53.7555 21.1642 36.5336 GPRESSAVG: 2789200 -82.8873 52.0884 -56.1671 48.1996 22.3226 18.2319 -53.4589 21.0922 35.0255 TIMING: 2789200 CPU: 8317, 0.00302438/step Wall: 8317, 0.00302438/step, 1.85731 hours remaining, 206.710938 MB of memory in use. ENERGY: 2789200 724.2211 2103.7128 1933.2764 108.5315 -206059.8145 17644.7295 0.0000 0.0000 34480.1331 -149065.2102 301.1236 -183545.3433 -148967.8887 299.4503 -56.7157 -22.4642 557461.9430 -8.5348 -8.5131 PRESSURE: 2789400 -0.160928 -14.5908 -38.649 -14.5891 -150.928 -16.0268 -38.6484 -16.0254 19.2005 GPRESSURE: 2789400 110.594 -39.7658 -74.396 -39.8295 -102.525 9.23664 42.4923 -141.901 -42.6071 PRESSAVG: 2789400 42.9842 8.66705 -15.7503 8.66702 -14.8121 -27.0342 -15.7503 -27.0342 -73.1008 GPRESSAVG: 2789400 41.6829 9.32225 -15.3103 6.62602 -15.1074 -25.1423 -16.4559 -26.6788 -71.8048 TIMING: 2789400 CPU: 8317.6, 0.00303233/step Wall: 8317.6, 0.00303233/step, 1.86202 hours remaining, 206.710938 MB of memory in use. ENERGY: 2789400 744.7386 2094.0992 1948.4749 114.2342 -205965.6395 17861.8588 0.0000 0.0000 34142.7040 -149059.5299 298.1767 -183202.2338 -148963.9530 299.5700 -43.9627 -11.5126 557424.1872 -14.9762 -15.0764 PRESSURE: 2789600 246.383 38.5193 -156.462 38.5191 -203.789 -29.8812 -156.461 -29.882 -231.005 GPRESSURE: 2789600 208.516 -133.156 -170.295 123.618 -150.125 -83.5297 -141.53 20.9959 -132.688 PRESSAVG: 2789600 25.1274 28.1899 -54.7356 28.19 -37.2962 -59.4223 -54.7357 -59.4224 15.1973 GPRESSAVG: 2789600 23.3991 27.3963 -54.4168 28.316 -36.3757 -59.7824 -53.0104 -59.1339 15.2577 TIMING: 2789600 CPU: 8318.21, 0.00305936/step Wall: 8318.21, 0.00305936/step, 1.87845 hours remaining, 206.710938 MB of memory in use. ENERGY: 2789600 712.5135 2131.7831 1951.0522 102.9741 -205702.6176 17577.9326 0.0000 0.0000 34129.8231 -149096.5392 298.0642 -183226.3622 -148999.9014 299.3824 -62.8034 -24.7654 557725.6008 1.0095 0.7604 PRESSURE: 2789800 -141.806 -95.9469 70.1794 -95.9477 -112.143 54.9531 70.1795 54.9544 -77.2207 GPRESSURE: 2789800 -99.3721 17.2311 55.9092 -76.0072 -121.134 -10.7458 70.4078 70.2525 -19.6552 PRESSAVG: 2789800 21.868 -25.4824 -16.4068 -25.4824 23.952 -25.726 -16.4068 -25.726 -43.525 GPRESSAVG: 2789800 23.639 -26.022 -13.2444 -23.3593 22.88 -27.4965 -19.3034 -25.649 -44.244 TIMING: 2789800 CPU: 8318.82, 0.00302525/step Wall: 8318.82, 0.00302525/step, 1.85734 hours remaining, 206.710938 MB of memory in use. ENERGY: 2789800 703.8846 2097.8511 1953.3035 125.7651 -205407.2658 17447.5186 0.0000 0.0000 34163.7499 -148915.1930 298.3605 -183078.9429 -148817.9215 299.5107 -110.3899 -80.0539 558890.1589 0.7650 0.7584 PRESSURE: 2790000 270.153 91.6352 -39.026 91.6338 13.9287 -129.219 -39.0247 -129.218 -81.6129 GPRESSURE: 2790000 312.623 82.3182 -20.6439 133.338 8.62317 -220.066 -42.3043 -90.4587 -13.4079 PRESSAVG: 2790000 -12.1055 61.2392 -42.1664 61.2393 -1.47317 -24.7531 -42.1663 -24.7532 -47.7904 GPRESSAVG: 2790000 -11.7099 62.0941 -46.0579 60.8393 -0.846916 -21.0828 -40.7665 -25.3205 -48.4273 TIMING: 2790000 CPU: 8319.43, 0.00304058/step Wall: 8319.43, 0.00304058/step, 1.86658 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: 2790000 738.5708 2056.4036 1949.2168 119.1143 -205810.7265 17768.0786 0.0000 0.0000 34334.0321 -148845.3103 299.8476 -183179.3424 -148742.8619 299.5740 67.4897 102.6127 558095.8931 -20.4564 -20.3280 PRESSURE: 2790200 -60.1563 9.89071 135.11 9.89123 -13.3325 -18.5882 135.11 -18.5897 -11.8833 GPRESSURE: 2790200 -38.4988 12.2285 145.267 -79.61 16.6093 -23.6963 140.561 50.4249 22.2086 PRESSAVG: 2790200 62.6376 -6.46173 48.6156 -6.46172 -17.6923 -20.2371 48.6155 -20.2369 -79.1801 GPRESSAVG: 2790200 63.0144 -7.64364 47.7908 -6.52462 -18.8288 -22.4233 51.0373 -19.6758 -78.2455 TIMING: 2790200 CPU: 8320.03, 0.00302555/step Wall: 8320.03, 0.00302555/step, 1.85718 hours remaining, 206.710938 MB of memory in use. ENERGY: 2790200 696.2428 2037.4615 1941.1173 117.5997 -205818.1693 17724.7476 0.0000 0.0000 34386.8357 -148914.1646 300.3088 -183301.0004 -148815.3778 299.8256 -28.4574 0.1064 557949.3374 -11.4116 -11.3533 PRESSURE: 2790400 -110.007 -41.1775 108.767 -41.1764 11.2805 35.8996 108.769 35.8991 -279.203 GPRESSURE: 2790400 1.51048 -54.2128 132.827 -46.6292 -6.07806 -20.396 128.883 60.3079 -274.3 PRESSAVG: 2790400 34.5518 -40.6709 -26.1628 -40.6709 4.87285 18.1549 -26.1629 18.1548 -21.0224 GPRESSAVG: 2790400 34.8371 -40.7288 -25.5854 -42.1875 5.21997 19.5234 -27.9207 17.8571 -21.821 TIMING: 2790400 CPU: 8320.64, 0.00304168/step Wall: 8320.64, 0.00304168/step, 1.86691 hours remaining, 206.710938 MB of memory in use. ENERGY: 2790400 734.2564 2114.1752 1935.8856 106.8787 -205523.6024 17397.2707 0.0000 0.0000 34543.3460 -148691.7898 301.6756 -183235.1358 -148592.0062 300.7765 -125.9764 -92.9559 557977.7124 6.1341 6.0787 PRESSURE: 2790600 -103.773 -32.3408 -94.3883 -32.3418 -52.7396 50.5386 -94.3899 50.5395 26.023 GPRESSURE: 2790600 -89.1966 17.9932 -77.5975 -101.479 14.1327 45.4526 -105.51 50.6769 55.0403 PRESSAVG: 2790600 -4.36288 -21.2099 -25.8145 -21.2099 30.0867 4.74293 -25.8144 4.74289 -36.8426 GPRESSAVG: 2790600 -3.66419 -20.2241 -25.7634 -21.3983 28.8623 4.79156 -25.9073 5.11046 -36.3946 TIMING: 2790600 CPU: 8321.25, 0.00303112/step Wall: 8321.25, 0.00303112/step, 1.86027 hours remaining, 206.710938 MB of memory in use. ENERGY: 2790600 764.2159 2099.6420 1949.6020 106.1738 -205913.2809 17881.3723 0.0000 0.0000 34427.9052 -148684.3698 300.6675 -183112.2751 -148588.5895 300.4810 -43.4966 -6.6745 558581.2676 -3.7063 -3.7322 PRESSURE: 2790800 42.7056 78.0171 -169.107 78.0176 26.3057 6.46605 -169.108 6.46863 -59.5214 GPRESSURE: 2790800 75.5227 -2.90919 -207.293 75.087 5.01577 76.3796 -171.615 -62.0638 27.587 PRESSAVG: 2790800 19.3071 -20.2272 -15.5003 -20.2273 -10.3062 -13.3924 -15.5001 -13.3923 -24.9015 GPRESSAVG: 2790800 18.1387 -22.683 -15.507 -18.1177 -9.16939 -14.4774 -15.4398 -13.4054 -24.6852 TIMING: 2790800 CPU: 8321.86, 0.00305318/step Wall: 8321.86, 0.00305318/step, 1.87364 hours remaining, 206.710938 MB of memory in use. ENERGY: 2790800 741.8487 2091.6928 1969.9027 117.2382 -205738.7334 17691.4625 0.0000 0.0000 34442.7057 -148683.8828 300.7967 -183126.5884 -148585.5301 300.7483 3.1633 36.0418 558035.2820 -5.3002 -5.2386 PRESSURE: 2791000 -73.8101 94.5996 178.155 94.5995 -132.598 -64.8881 178.157 -64.8874 -128.275 GPRESSURE: 2791000 -17.681 97.4995 177.45 82.1526 -99.9434 -9.43837 195.795 -60.853 -124.956 PRESSAVG: 2791000 -11.4772 42.1477 0.208657 42.1476 -9.23876 38.7603 0.208679 38.7603 40.9793 GPRESSAVG: 2791000 -11.9071 42.717 0.215986 43.3947 -8.57402 39.2856 0.520783 39.6619 40.2296 TIMING: 2791000 CPU: 8322.46, 0.00301237/step Wall: 8322.46, 0.00301237/step, 1.84843 hours remaining, 206.710938 MB of memory in use. ENERGY: 2791000 714.0180 2132.7109 1959.7153 116.1577 -205556.4556 17445.9032 0.0000 0.0000 34311.0012 -148876.9493 299.6465 -183187.9505 -148784.3759 300.9072 -111.5609 -80.8602 557702.8373 6.7545 6.5828 PRESSURE: 2791200 -67.154 -126.134 49.1319 -126.135 104.7 22.3569 49.1315 22.358 277.208 GPRESSURE: 2791200 -47.7069 -64.7396 84.9116 -130.632 129.621 81.5714 -45.3348 24.9429 318.574 PRESSAVG: 2791200 37.7 6.86087 50.3977 6.86088 -54.379 -2.85813 50.3978 -2.85812 40.2388 GPRESSAVG: 2791200 36.6712 6.94944 51.5775 5.19088 -55.1827 -1.60973 49.5207 -4.47233 41.659 TIMING: 2791200 CPU: 8323.06, 0.00301224/step Wall: 8323.06, 0.00301224/step, 1.84818 hours remaining, 206.710938 MB of memory in use. ENERGY: 2791200 730.2292 2051.6932 1937.6020 113.2040 -205767.6476 17775.2420 0.0000 0.0000 34262.8053 -148896.8720 299.2256 -183159.6772 -148800.9695 300.2417 104.9183 133.4959 556999.9205 7.8532 7.7158 PRESSURE: 2791400 146.324 21.9671 -62.319 21.9685 152.229 -9.47242 -62.3195 -9.47137 -237.745 GPRESSURE: 2791400 234.096 24.4789 -100.576 29.3492 139.33 -35.5 -114.24 -28.2446 -202.642 PRESSAVG: 2791400 8.22089 35.4538 -42.0658 35.4538 -34.3746 72.4734 -42.0657 72.4733 -15.7295 GPRESSAVG: 2791400 9.3601 37.1037 -42.4243 37.1826 -33.4263 70.8473 -42.2611 73.7866 -17.6908 TIMING: 2791400 CPU: 8323.66, 0.00301169/step Wall: 8323.66, 0.00301169/step, 1.84767 hours remaining, 206.710938 MB of memory in use. ENERGY: 2791400 764.5794 2046.6562 1942.7566 100.0992 -205901.2389 17723.1016 0.0000 0.0000 34379.9528 -148944.0931 300.2487 -183324.0459 -148848.0915 299.8580 20.2691 56.9282 557641.9482 -13.9611 -13.9190 PRESSURE: 2791600 -126.968 -43.1929 -55.1599 -43.1928 -256.826 -16.0485 -55.1583 -16.0482 -212.393 GPRESSURE: 2791600 -91.9553 -86.5491 103.469 7.02423 -200.816 -18.9924 -145.119 -57.5522 -188.378 PRESSAVG: 2791600 -3.54919 40.8159 -3.91636 40.816 -24.3239 35.1696 -3.91637 35.1695 -0.580498 GPRESSAVG: 2791600 -3.69633 39.6609 -4.20314 38.5605 -24.9237 35.4819 -2.75672 33.2664 -0.0743197 TIMING: 2791600 CPU: 8324.27, 0.00302457/step Wall: 8324.27, 0.00302457/step, 1.85541 hours remaining, 206.710938 MB of memory in use. ENERGY: 2791600 738.2882 2116.5645 1943.8974 109.8641 -205460.2794 17362.8041 0.0000 0.0000 34345.4343 -148843.4270 299.9472 -183188.8612 -148742.7063 299.7401 -198.7287 -160.3832 558181.3490 -9.4845 -9.5648 PRESSURE: 2791800 136.865 -93.7285 -26.1589 -93.7276 34.0514 26.6464 -26.1592 26.6478 15.1174 GPRESSURE: 2791800 153.758 -60.6349 -27.7696 -82.5548 43.3561 89.0749 43.7574 42.7177 93.4222 PRESSAVG: 2791800 -31.4747 -46.7361 31.7852 -46.736 67.0281 -15.6125 31.7853 -15.6124 -14.7943 GPRESSAVG: 2791800 -31.7025 -44.4316 32.6083 -46.611 66.7612 -14.3136 31.0371 -14.1842 -14.3204 TIMING: 2791800 CPU: 8324.87, 0.00300101/step Wall: 8324.87, 0.00300101/step, 1.84079 hours remaining, 206.710938 MB of memory in use. ENERGY: 2791800 725.9153 1998.5474 1954.9875 110.3195 -206570.8881 18078.0308 0.0000 0.0000 34750.4836 -148952.6040 303.4846 -183703.0876 -148850.5757 300.4894 62.0114 96.8454 557611.8834 6.9197 6.9128 PRESSURE: 2792000 248.517 -108.154 -5.17681 -108.154 -204.326 -101.093 -5.17734 -101.092 6.44072 GPRESSURE: 2792000 258.122 -74.8607 10.0484 -20.4393 -130.109 -85.8428 26.8864 -106.945 4.68167 PRESSAVG: 2792000 21.2999 -71.5835 23.3058 -71.5835 -9.73718 -26.6256 23.3058 -26.6256 -14.4697 GPRESSAVG: 2792000 22.3253 -73.9528 24.1376 -71.4614 -9.71995 -27.5227 22.7059 -26.6186 -15.4261 TIMING: 2792000 CPU: 8325.47, 0.00302421/step Wall: 8325.47, 0.00302421/step, 1.85485 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: 2792000 758.8160 2059.2876 1994.2304 106.4410 -206215.4746 17833.8156 0.0000 0.0000 34568.3065 -148894.5776 301.8936 -183462.8840 -148794.9987 300.3952 16.8772 44.2314 557004.6140 -0.9690 -0.9403 PRESSURE: 2792200 -46.0561 -22.9605 -117.438 -22.9613 -155.885 -6.95114 -117.438 -6.95088 54.7598 GPRESSURE: 2792200 -18.52 -47.6433 -105.246 45.3604 -150.165 74.7153 -67.8363 -84.4272 115.695 PRESSAVG: 2792200 72.3821 -47.0733 -35.9942 -47.0733 -130.671 6.17243 -35.9941 6.17231 51.2509 GPRESSAVG: 2792200 71.263 -44.9124 -37.6322 -47.3093 -130.408 4.64564 -32.1853 6.94405 52.361 TIMING: 2792200 CPU: 8326.07, 0.0030012/step Wall: 8326.07, 0.0030012/step, 1.84057 hours remaining, 206.710938 MB of memory in use. ENERGY: 2792200 714.9902 2096.2164 1921.3577 116.2111 -205510.4555 17529.9247 0.0000 0.0000 34289.9998 -148841.7555 299.4631 -183131.7553 -148749.8531 300.8973 -49.0606 -17.6633 558902.1747 -2.3459 -2.2613 LDB: ============= START OF LOAD BALANCING ============== 8329.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8329.51 LDB: =============== DONE WITH MIGRATION ================ 8329.51 LDB: ============= START OF LOAD BALANCING ============== 8329.81 LDB: Largest compute 4821 load 0.026128 is 22.1% of average load 0.118022 LDB: Average compute 0.001746 is 1.5% of average load 0.118022 LDB: TIME 8329.81 LOAD: AVG 0.118022 MAX 0.206875 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.117 MB LDB: TIME 8329.81 LOAD: AVG 0.118022 MAX 0.206875 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.32 MB LDB: TIME 8329.81 LOAD: AVG 0.118022 MAX 0.206875 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.32 MB LDB: ============== END OF LOAD BALANCING =============== 8329.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8329.82 PRESSURE: 2792400 -52.7171 -80.7598 -36.035 -80.761 -43.5284 -12.37 -36.0358 -12.3687 27.6822 GPRESSURE: 2792400 -33.0462 -106.965 -118.95 -150.345 19.399 -39.6568 0.507448 -45.4585 51.804 PRESSAVG: 2792400 -2.40818 -19.8383 21.4475 -19.8384 9.0185 -33.0927 21.4476 -33.0925 -3.71024 GPRESSAVG: 2792400 -1.80896 -22.2175 19.9192 -19.5452 8.48661 -32.3635 19.337 -35.4598 -3.88863 TIMING: 2792400 CPU: 8326.69, 0.00308113/step Wall: 8326.69, 0.00308113/step, 1.88942 hours remaining, 207.472656 MB of memory in use. ENERGY: 2792400 727.2465 2089.6549 1938.5300 123.7317 -205936.5263 17729.3857 0.0000 0.0000 34345.0349 -148982.9426 299.9437 -183327.9775 -148889.3004 299.6432 -22.8544 12.7190 559772.1525 0.9667 0.9297 PRESSURE: 2792600 -93.8762 -51.0149 170.321 -51.015 -116.942 -21.9101 170.32 -21.9089 -420.339 GPRESSURE: 2792600 -41.0206 -71.0367 100.202 -28.7859 -114.57 -25.0513 230.594 -49.0123 -379.565 PRESSAVG: 2792600 18.4979 -66.6724 -32.7705 -66.6724 -5.79234 2.10976 -32.7706 2.10978 -19.6896 GPRESSAVG: 2792600 17.0054 -67.0385 -28.7398 -67.0076 -4.97028 1.84904 -34.5283 2.50132 -18.8872 TIMING: 2792600 CPU: 8327.3, 0.0030298/step Wall: 8327.3, 0.0030298/step, 1.85777 hours remaining, 207.472656 MB of memory in use. ENERGY: 2792600 693.6998 2064.1197 1937.6317 103.6177 -205400.7269 17433.0998 0.0000 0.0000 34414.1726 -148754.3856 300.5475 -183168.5582 -148658.2551 300.4040 -210.3858 -178.3854 561497.2527 -2.3280 -2.2840 PRESSURE: 2792800 -129.282 -34.7545 -41.5303 -34.7551 -112.662 220.769 -41.5299 220.767 -174.714 GPRESSURE: 2792800 -53.4961 -58.8211 -36.2249 30.1639 -93.4073 183.672 -21.7237 252.035 -174.999 PRESSAVG: 2792800 3.83791 -21.4305 -58.3255 -21.4305 -23.5136 11.2554 -58.3254 11.2553 12.5887 GPRESSAVG: 2792800 6.01978 -21.3558 -59.6514 -19.7306 -24.7991 10.311 -57.985 13.9585 11.5849 TIMING: 2792800 CPU: 8327.9, 0.00301638/step Wall: 8327.9, 0.00301638/step, 1.84938 hours remaining, 207.472656 MB of memory in use. ENERGY: 2792800 774.9826 2040.9352 1936.2775 113.9971 -205879.6685 17680.9551 0.0000 0.0000 34479.1232 -148853.3978 301.1148 -183332.5210 -148757.7452 300.3504 -138.8860 -107.3008 559442.6248 -2.3623 -2.3981 PRESSURE: 2793000 -30.774 -141.573 -25.5143 -141.572 251.109 -51.2035 -25.5143 -51.2042 241.689 GPRESSURE: 2793000 66.1797 -91.5081 -72.1844 -239.451 234.643 -30.7086 -7.44625 -16.3088 255.32 PRESSAVG: 2793000 -6.75386 -11.742 45.9501 -11.742 -39.0332 47.5486 45.9501 47.5486 44.9456 GPRESSAVG: 2793000 -6.89424 -10.4769 45.3554 -13.5999 -37.6553 47.0774 47.0776 47.1326 43.5842 TIMING: 2793000 CPU: 8328.5, 0.00301863/step Wall: 8328.5, 0.00301863/step, 1.85059 hours remaining, 207.472656 MB of memory in use. ENERGY: 2793000 695.0374 2123.6587 1965.6530 120.6816 -206147.4444 17952.2184 0.0000 0.0000 34442.9801 -148847.2153 300.7991 -183290.1954 -148747.7596 300.5327 154.0079 185.3811 557610.9404 -0.2805 -0.3218 PRESSURE: 2793200 -103.82 6.53468 10.6838 6.53455 221.422 149.259 10.6841 149.258 18.9078 GPRESSURE: 2793200 -131.268 100.199 -77.2275 -77.3939 283.816 145.867 35.3017 115.271 75.066 PRESSAVG: 2793200 -27.1376 -29.5746 10.605 -29.5747 69.352 -10.7076 10.6051 -10.7075 -64.4408 GPRESSAVG: 2793200 -28.6153 -29.6531 10.7264 -29.7704 68.8892 -8.86081 11.3196 -13.0793 -62.3727 TIMING: 2793200 CPU: 8329.1, 0.00299058/step Wall: 8329.1, 0.00299058/step, 1.83323 hours remaining, 207.472656 MB of memory in use. ENERGY: 2793200 762.2882 2081.7330 1960.0099 117.7421 -205863.6928 17884.9962 0.0000 0.0000 34294.1949 -148762.7285 299.4997 -183056.9234 -148671.4920 300.5328 45.5032 75.8714 559563.4646 -7.4088 -7.3662 PRESSURE: 2793400 17.8707 108.017 129.867 108.016 31.1954 -28.3699 129.866 -28.3705 14.0518 GPRESSURE: 2793400 46.818 87.6378 64.0977 114.426 33.8216 50.5798 134.624 -116.402 80.7078 PRESSAVG: 2793400 28.9636 -25.2069 45.6782 -25.2068 -20.8629 -17.6638 45.6783 -17.6637 -5.40257 GPRESSAVG: 2793400 30.2951 -26.0625 46.3018 -24.8662 -21.1455 -19.0632 44.3391 -17.0967 -5.98761 TIMING: 2793400 CPU: 8329.71, 0.0030299/step Wall: 8329.71, 0.0030299/step, 1.85716 hours remaining, 207.472656 MB of memory in use. ENERGY: 2793400 730.8696 2029.6140 1924.3780 109.0485 -205983.0286 17958.7686 0.0000 0.0000 34541.7024 -148688.6475 301.6613 -183230.3499 -148587.3220 300.6766 21.0393 53.7825 559153.1494 0.8994 1.0540 PRESSURE: 2793600 116.257 193.816 -61.5143 193.817 -50.1439 55.1861 -61.5141 55.1876 -26.4217 GPRESSURE: 2793600 92.8236 214.903 10.9936 199.813 -5.54228 30.7526 -155.04 125.446 48.6903 PRESSAVG: 2793600 38.867 58.7275 -44.2423 58.7275 -13.8635 -31.557 -44.2422 -31.557 -11.8916 GPRESSAVG: 2793600 39.182 60.0313 -43.3021 59.0592 -13.9286 -32.1842 -45.9867 -30.3607 -11.959 TIMING: 2793600 CPU: 8330.31, 0.00300484/step Wall: 8330.31, 0.00300484/step, 1.84163 hours remaining, 207.472656 MB of memory in use. ENERGY: 2793600 738.6658 2103.2362 1924.6588 101.6726 -205849.2733 17746.1222 0.0000 0.0000 34605.3456 -148629.5721 302.2171 -183234.9178 -148531.6250 301.0149 13.2305 45.3239 560430.7943 4.3706 4.4315 PRESSURE: 2793800 -56.7831 -9.3531 24.9562 -9.35327 -140.677 -86.6106 24.9561 -86.6092 4.95509 GPRESSURE: 2793800 11.9879 -52.157 72.7432 18.7512 -155.183 -73.6845 22.4353 -81.1493 43.3475 PRESSAVG: 2793800 30.2262 -0.624066 -14.8917 -0.624025 -48.7899 -0.0858606 -14.8917 -0.0858707 4.77552 GPRESSAVG: 2793800 29.5123 -0.890104 -16.4504 -2.30662 -48.7974 0.230308 -12.2543 -0.741793 5.07814 TIMING: 2793800 CPU: 8330.92, 0.00303489/step Wall: 8330.92, 0.00303489/step, 1.85988 hours remaining, 207.472656 MB of memory in use. ENERGY: 2793800 818.5325 2083.2750 1954.7458 111.2108 -205790.2460 17818.9434 0.0000 0.0000 34243.6242 -148759.9142 299.0581 -183003.5384 -148657.3656 300.3766 -64.1684 -33.2827 559393.4551 -4.5961 -4.7357 PRESSURE: 2794000 -200.859 41.438 -99.2973 41.4383 -50.2761 64.2667 -99.2966 64.2671 296.027 GPRESSURE: 2794000 -156.831 113.468 -142.634 18.3388 -16.4024 73.7319 -102.062 -7.84812 319.774 PRESSAVG: 2794000 34.3333 -68.5401 -60.5519 -68.54 -19.9077 37.9021 -60.5519 37.9022 49.1381 GPRESSAVG: 2794000 35.6151 -69.6388 -59.5288 -67.9617 -21.2345 39.9709 -60.8089 37.8796 49.1927 TIMING: 2794000 CPU: 8331.52, 0.00302369/step Wall: 8331.52, 0.00302369/step, 1.85285 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: 2794000 756.5805 2053.9285 1958.4742 119.4957 -206094.2644 18052.0096 0.0000 0.0000 34240.6646 -148913.1114 299.0322 -183153.7760 -148816.5120 300.2914 14.9639 48.8471 558705.1918 21.1879 21.1911 PRESSURE: 2794200 187.175 -26.6858 -78.3877 -26.6846 -20.4695 60.4445 -78.3884 60.446 11.6336 GPRESSURE: 2794200 235.579 27.4394 -69.7626 -34.7433 29.6972 26.4531 -12.4907 67.3813 5.01656 PRESSAVG: 2794200 -19.3076 -9.50607 -16.5066 -9.50608 8.69563 32.4497 -16.5067 32.4496 -2.20732 GPRESSAVG: 2794200 -20.2535 -8.56442 -18.6492 -7.99766 9.94378 29.5848 -15.9977 32.5878 -2.1043 TIMING: 2794200 CPU: 8332.12, 0.00300173/step Wall: 8332.12, 0.00300173/step, 1.83922 hours remaining, 207.472656 MB of memory in use. ENERGY: 2794200 715.7895 2075.9944 1973.7104 96.3960 -206184.2258 17983.3897 0.0000 0.0000 34092.1845 -149246.7613 297.7355 -183338.9458 -149153.4107 299.9921 59.4464 90.0974 558597.0416 -4.2731 -4.1380 PRESSURE: 2794400 214.786 -17.9418 -93.1289 -17.9419 -224.496 -22.3081 -93.1288 -22.3079 86.3228 GPRESSURE: 2794400 260.23 -40.6518 -113.133 -27.3489 -164.359 -115.878 -40.6697 78.0279 63.6547 PRESSAVG: 2794400 1.5259 -21.219 -24.6412 -21.2189 -13.6499 -64.6346 -24.6412 -64.6346 -3.04389 GPRESSAVG: 2794400 1.29973 -23.0962 -21.8838 -20.5448 -12.9601 -61.7544 -26.3821 -67.4451 -2.81659 TIMING: 2794400 CPU: 8332.72, 0.00301352/step Wall: 8332.72, 0.00301352/step, 1.84629 hours remaining, 207.472656 MB of memory in use. ENERGY: 2794400 709.2974 2141.4790 1956.1884 109.0028 -206220.1267 17852.3602 0.0000 0.0000 34279.4386 -149172.3602 299.3709 -183451.7989 -149084.0439 299.0323 25.5378 53.1751 557394.8132 -5.0560 -4.8256 PRESSURE: 2794600 81.1713 -77.0627 -124.902 -77.0629 151.258 19.8284 -124.902 19.828 92.0436 GPRESSURE: 2794600 105.047 -54.906 -74.9251 -76.4463 179.037 -4.65044 -118 -54.613 127.322 PRESSAVG: 2794600 24.4799 -33.935 7.97539 -33.935 -32.9 -2.00637 7.97535 -2.00632 -15.0735 GPRESSAVG: 2794600 24.9527 -33.6483 9.39317 -35.543 -32.0897 -2.86282 7.48617 0.579342 -16.1613 TIMING: 2794600 CPU: 8333.33, 0.00302044/step Wall: 8333.33, 0.00302044/step, 1.85035 hours remaining, 207.472656 MB of memory in use. ENERGY: 2794600 758.0743 2104.0598 1959.1374 120.7157 -206058.4924 18007.8016 0.0000 0.0000 33955.7851 -149152.9185 296.5443 -183108.7036 -149058.8327 299.2425 108.1578 137.1354 558190.6499 -7.8312 -7.7661 PRESSURE: 2794800 174.662 34.801 172.795 34.8016 243.295 -75.0164 172.794 -75.0204 109.207 GPRESSURE: 2794800 185.055 142.837 90.6204 -21.4276 257.232 -73.0119 178.881 -101.289 178.062 PRESSAVG: 2794800 87.5217 -35.9671 -46.1504 -35.9672 7.6533 -54.7381 -46.1505 -54.738 -37.2847 GPRESSAVG: 2794800 87.5459 -34.8773 -48.6544 -36.7855 6.86292 -56.5102 -44.9614 -55.6776 -36.8044 TIMING: 2794800 CPU: 8333.93, 0.00301845/step Wall: 8333.93, 0.00301845/step, 1.84897 hours remaining, 207.472656 MB of memory in use. ENERGY: 2794800 765.9603 2077.3225 1962.2451 120.9556 -206610.1752 18163.4015 0.0000 0.0000 34270.0773 -149250.2130 299.2891 -183520.2903 -149159.0447 298.9419 175.7211 206.7830 556970.5492 19.2968 19.2014 PRESSURE: 2795000 48.5935 -31.4187 -23.4201 -31.4185 -201.727 -165.682 -23.4201 -165.681 -156.541 GPRESSURE: 2795000 104.38 -24.534 -80.0738 -36.132 -189.42 -150.472 104.422 -217.836 -129.323 PRESSAVG: 2795000 110.091 -26.7393 -26.2639 -26.7393 -45.8633 -3.69836 -26.2639 -3.69823 -71.7751 GPRESSAVG: 2795000 110.386 -27.3118 -27.3222 -26.4187 -47.1835 -0.243698 -26.3559 -5.45669 -70.7747 TIMING: 2795000 CPU: 8334.54, 0.00302769/step Wall: 8334.54, 0.00302769/step, 1.85446 hours remaining, 207.472656 MB of memory in use. ENERGY: 2795000 746.3770 2058.1677 1941.7564 112.0356 -206080.2646 17655.1344 0.0000 0.0000 34449.3957 -149117.3978 300.8551 -183566.7935 -149018.1869 298.6096 -103.2248 -71.4542 557099.8108 -2.5160 -2.5241 PRESSURE: 2795200 102.988 -97.5136 13.979 -97.5133 47.3276 57.4807 13.9799 57.482 -237.019 GPRESSURE: 2795200 161.33 -96.8428 -29.2488 -175.062 81.2784 103.274 114.76 32.194 -222.788 PRESSAVG: 2795200 52.0849 -39.9758 -16.26 -39.9759 -3.30931 3.60936 -16.26 3.60936 -21.5553 GPRESSAVG: 2795200 52.0276 -40.4962 -15.6661 -40.2247 -1.55302 3.95722 -16.2576 5.94202 -22.7179 TIMING: 2795200 CPU: 8335.14, 0.00303695/step Wall: 8335.14, 0.00303695/step, 1.85996 hours remaining, 207.472656 MB of memory in use. ENERGY: 2795200 770.1140 2065.7442 1954.4662 113.7741 -206060.2902 17724.8821 0.0000 0.0000 34206.7710 -149224.5387 298.7362 -183431.3097 -149131.3136 298.7313 -28.9011 6.6071 557475.2440 9.0734 9.2522 PRESSURE: 2795400 -306.602 60.5572 -1.59749 60.5578 -98.511 222.192 -1.59725 222.194 -113.075 GPRESSURE: 2795400 -287.67 -32.6162 63.2765 107.955 -79.3657 135.806 7.77149 253.223 -59.6412 PRESSAVG: 2795400 -41.5847 -1.90418 -16.1962 -1.90421 6.36025 65.7668 -16.1962 65.7669 47.2964 GPRESSAVG: 2795400 -42.647 -2.11921 -13.6178 -1.02222 5.70913 63.9512 -17.1564 64.5981 49.4387 TIMING: 2795400 CPU: 8335.75, 0.00303384/step Wall: 8335.75, 0.00303384/step, 1.85789 hours remaining, 207.472656 MB of memory in use. ENERGY: 2795400 733.0945 2041.7279 1930.3982 105.2319 -205642.6145 17529.0192 0.0000 0.0000 34161.2586 -149141.8841 298.3388 -183303.1427 -149051.0490 298.7780 -172.7294 -142.2256 559293.6789 4.0240 4.1669 PRESSURE: 2795600 154.485 -204.306 -42.3666 -204.307 173.282 -8.655 -42.3656 -8.6555 28.695 GPRESSURE: 2795600 179.248 -196.443 -102.373 -268.528 226.837 -56.7475 -13.3895 -113.531 42.2439 PRESSAVG: 2795600 -25.3543 -8.2552 14.6886 -8.25518 -22.8292 17.6485 14.6887 17.6484 21.5087 GPRESSAVG: 2795600 -24.4177 -6.56245 16.1861 -9.49282 -22.6269 17.0844 13.265 19.3821 20.8911 TIMING: 2795600 CPU: 8336.35, 0.00301389/step Wall: 8336.35, 0.00301389/step, 1.84551 hours remaining, 207.472656 MB of memory in use. ENERGY: 2795600 740.6950 2067.6988 1928.9805 104.3943 -206575.1169 18219.8602 0.0000 0.0000 34237.0921 -149276.3959 299.0010 -183513.4880 -149174.6127 299.0389 118.8207 149.4431 557925.4103 -8.8916 -8.7178 PRESSURE: 2795800 -244.211 -55.0404 -144.587 -55.0405 7.95531 153.285 -144.587 153.284 -15.6505 GPRESSURE: 2795800 -191.765 -41.8895 -96.6059 -37.4704 52.8591 176.609 -187.132 192.863 -7.9176 PRESSAVG: 2795800 -15.8057 30.0584 12.5122 30.0585 -23.4006 11.2498 12.5122 11.2498 -3.06795 GPRESSAVG: 2795800 -15.6822 27.4316 10.4926 32.8219 -22.8158 13.5 12.9494 10.9692 -4.23873 TIMING: 2795800 CPU: 8336.96, 0.00301343/step Wall: 8336.96, 0.00301343/step, 1.84506 hours remaining, 207.472656 MB of memory in use. ENERGY: 2795800 732.3715 2080.6125 1950.7014 106.3482 -206531.3454 17799.8714 0.0000 0.0000 34456.2062 -149405.2344 300.9146 -183861.4406 -149296.8160 298.5772 -83.9686 -48.9412 557434.3194 -14.0914 -14.2456 PRESSURE: 2796000 134.523 46.8888 -129.531 46.8894 106.841 0.227165 -129.529 0.227216 62.7563 GPRESSURE: 2796000 156.229 -26.4345 -66.4222 46.9384 134.276 15.5455 -169.72 -59.0716 107.48 PRESSAVG: 2796000 12.6954 19.6776 -19.3008 19.6776 52.4029 31.4383 -19.3008 31.4383 -41.4123 GPRESSAVG: 2796000 12.759 22.2635 -21.9282 17.9303 52.6575 28.9986 -17.9963 31.5443 -41.7677 TIMING: 2796000 CPU: 8337.56, 0.00300618/step Wall: 8337.56, 0.00300618/step, 1.84045 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: 2796000 734.3755 2107.4068 1971.9484 118.8918 -206692.3921 18057.8840 0.0000 0.0000 34189.8750 -149512.0108 298.5887 -183701.8858 -149408.6364 298.4740 101.3733 132.6616 556855.0575 7.8953 7.8829 PRESSURE: 2796200 157.834 -84.046 71.0007 -84.0459 72.3755 -65.7847 71.0014 -65.7849 7.98674 GPRESSURE: 2796200 189.82 -102.639 -5.49425 -65.7753 95.8699 -129.388 50.5068 -26.2956 55.7022 PRESSAVG: 2796200 -24.3304 35.2396 4.06235 35.2395 12.1612 19.1683 4.06227 19.1683 -13.8005 GPRESSAVG: 2796200 -23.0152 31.9716 2.30385 36.4879 11.204 21.4186 6.45053 17.7528 -13.6461 TIMING: 2796200 CPU: 8338.16, 0.00303361/step Wall: 8338.16, 0.00303361/step, 1.85707 hours remaining, 207.472656 MB of memory in use. ENERGY: 2796200 728.8411 2088.3534 1933.6333 118.1889 -206239.6557 17908.2093 0.0000 0.0000 33944.1749 -149518.2548 296.4429 -183462.4297 -149422.2076 299.0208 79.3987 113.7974 555862.3355 -8.6565 -8.4858 LDB: ============= START OF LOAD BALANCING ============== 8341.59 LDB: ============== END OF LOAD BALANCING =============== 8341.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8341.59 LDB: ============= START OF LOAD BALANCING ============== 8341.89 LDB: Largest compute 4821 load 0.025748 is 21.8% of average load 0.117904 LDB: Average compute 0.001744 is 1.5% of average load 0.117904 LDB: TIME 8341.9 LOAD: AVG 0.117904 MAX 0.205857 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 8341.9 LOAD: AVG 0.117904 MAX 0.205857 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.441 MB LDB: TIME 8341.9 LOAD: AVG 0.117904 MAX 0.205857 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8341.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8341.9 PRESSURE: 2796400 -86.7921 45.1202 130.946 45.1206 81.4545 22.5791 130.946 22.5793 229.259 GPRESSURE: 2796400 -90.2697 51.2652 115.735 -24.3047 168.672 119.323 161.853 94.3732 224.186 PRESSAVG: 2796400 -26.5785 -9.29152 -20.0811 -9.29157 -4.97493 0.247485 -20.081 0.247477 41.8877 GPRESSAVG: 2796400 -27.8065 -6.35372 -17.7308 -12.3872 -4.5601 0.778822 -22.3101 1.51784 42.8508 TIMING: 2796400 CPU: 8338.77, 0.00304096/step Wall: 8338.77, 0.00304096/step, 1.86141 hours remaining, 206.136719 MB of memory in use. ENERGY: 2796400 725.8358 2073.6575 1901.6803 108.4371 -206473.5283 17953.7000 0.0000 0.0000 34218.0849 -149492.1327 298.8350 -183710.2176 -149395.5553 298.1084 74.6406 100.8627 557418.9305 3.4448 3.4948 PRESSURE: 2796600 -11.911 158.01 -107.963 158.012 -85.0111 -80.5563 -107.96 -80.5565 -216.474 GPRESSURE: 2796600 -1.9693 205.891 -77.9444 202.379 -54.7896 -103.645 -119.019 -36.9591 -171.084 PRESSAVG: 2796600 17.4889 56.2706 -4.16417 56.2707 -27.9869 -18.9037 -4.16416 -18.9037 19.3736 GPRESSAVG: 2796600 16.5652 54.7554 -5.78605 59.4767 -27.742 -18.9469 -4.44121 -19.8221 19.928 TIMING: 2796600 CPU: 8339.37, 0.00300034/step Wall: 8339.37, 0.00300034/step, 1.83637 hours remaining, 206.136719 MB of memory in use. ENERGY: 2796600 743.2675 2026.2816 1950.5861 107.8604 -206047.4672 17657.0231 0.0000 0.0000 34006.6522 -149555.7964 296.9886 -183562.4486 -149454.6770 298.1678 -104.4655 -75.9476 557396.4863 2.9585 2.9171 PRESSURE: 2796800 65.7573 -106.645 -0.400108 -106.645 56.6718 59.0125 -0.39994 59.0116 -85.9139 GPRESSURE: 2796800 133.631 -77.6865 -91.7578 -199.157 50.5729 27.9444 54.5193 68.1975 -55.3182 PRESSAVG: 2796800 -40.0628 23.783 -41.4104 23.7829 27.7321 42.7019 -41.4105 42.7019 22.4491 GPRESSAVG: 2796800 -38.838 22.7674 -39.8083 22.9502 27.8697 42.5233 -40.7744 43.5034 21.7623 TIMING: 2796800 CPU: 8339.97, 0.00300958/step Wall: 8339.97, 0.00300958/step, 1.84186 hours remaining, 206.136719 MB of memory in use. ENERGY: 2796800 741.3225 2087.4924 1914.4379 104.3743 -206477.0862 17992.6295 0.0000 0.0000 34173.7122 -149463.1175 298.4475 -183636.8297 -149363.8547 298.3057 12.1717 42.9619 557766.6033 3.3728 3.5980 PRESSURE: 2797000 -193.839 -11.0706 -19.2803 -11.0715 -129.245 -57.1711 -19.2795 -57.1734 -312.125 GPRESSURE: 2797000 -178.783 -93.8118 -90.4532 102.057 -41.2295 -33.3812 13.2408 -22.3335 -313.406 PRESSAVG: 2797000 51.6422 32.1188 -61.2081 32.1187 -4.31269 -40.6753 -61.208 -40.6753 -49.51 GPRESSAVG: 2797000 51.4784 32.9193 -60.9801 31.6342 -4.57548 -40.361 -60.5238 -41.3506 -49.5303 TIMING: 2797000 CPU: 8340.58, 0.00300376/step Wall: 8340.58, 0.00300376/step, 1.83813 hours remaining, 206.136719 MB of memory in use. ENERGY: 2797000 773.1589 2093.6392 1950.3138 118.6333 -206008.3737 17690.2474 0.0000 0.0000 34143.8102 -149238.5709 298.1864 -183382.3810 -149142.1914 298.5790 -211.7362 -177.8064 557399.5440 -0.7268 -0.8758 PRESSURE: 2797200 111.968 -137.698 -153.482 -137.699 242.311 -71.3088 -153.482 -71.3105 169.517 GPRESSURE: 2797200 99.275 -18.3916 -89.5177 -200.876 308.021 -37.0983 -152.746 -105.397 212.9 PRESSAVG: 2797200 27.632 -36.9615 -43.3043 -36.9615 31.7896 -3.97052 -43.3043 -3.97043 -75.2722 GPRESSAVG: 2797200 27.941 -37.158 -42.8303 -36.5871 31.0767 -6.32553 -45.2355 -3.72928 -75.0259 TIMING: 2797200 CPU: 8341.17, 0.00298219/step Wall: 8341.17, 0.00298219/step, 1.82477 hours remaining, 206.136719 MB of memory in use. ENERGY: 2797200 709.0869 2066.7192 1939.4510 117.9909 -205974.7754 17908.1907 0.0000 0.0000 34021.7574 -149211.5795 297.1205 -183233.3368 -149122.6978 298.6127 174.5985 206.7321 556312.2162 -5.2835 -5.3361 PRESSURE: 2797400 47.6227 191.395 -71.6504 191.394 -50.2131 167.419 -71.651 167.419 33.3229 GPRESSURE: 2797400 103.883 225.702 -138.608 150.391 -36.1477 210.167 -11.2033 132.701 60.1505 PRESSAVG: 2797400 -3.18509 22.7918 28.2253 22.7918 -16.0853 5.38617 28.2252 5.38625 58.7597 GPRESSAVG: 2797400 -2.94852 23.5734 29.3399 21.4389 -14.504 6.82841 27.5855 5.38992 57.0711 TIMING: 2797400 CPU: 8341.77, 0.00298849/step Wall: 8341.77, 0.00298849/step, 1.82846 hours remaining, 206.136719 MB of memory in use. ENERGY: 2797400 732.7975 2047.9400 1963.7844 110.9766 -206266.7396 17898.0663 0.0000 0.0000 34227.5566 -149285.6182 298.9178 -183513.1748 -149182.5270 299.0676 10.2442 42.6288 557015.0333 13.1631 13.2062 PRESSURE: 2797600 126.779 -109.234 -42.2581 -109.234 333.95 107.238 -42.2588 107.238 248.28 GPRESSURE: 2797600 172.172 -49.8958 -106.614 -39.7907 404.396 152.847 16.4954 -58.5807 231.226 PRESSAVG: 2797600 -25.6376 -7.07088 -33.4225 -7.07091 28.5694 43.0697 -33.4226 43.0695 -20.4081 GPRESSAVG: 2797600 -26.5979 -9.9403 -34.762 -5.47097 27.2137 43.9584 -32.0912 40.8261 -18.5767 TIMING: 2797600 CPU: 8342.37, 0.00300609/step Wall: 8342.37, 0.00300609/step, 1.83906 hours remaining, 206.136719 MB of memory in use. ENERGY: 2797600 712.7266 2064.1758 1934.6503 118.8399 -206440.0024 18128.5312 0.0000 0.0000 34168.7032 -149312.3754 298.4038 -183481.0786 -149215.7944 298.9550 236.3361 269.2648 555824.0388 -5.8254 -5.9870 PRESSURE: 2797800 -292.757 -180.308 -32.1157 -180.308 -80.9073 37.2643 -32.1158 37.2652 -181.917 GPRESSURE: 2797800 -240.159 -195.305 -86.5917 -178.811 -50.8538 13.4303 -33.862 64.7916 -169.236 PRESSAVG: 2797800 -42.0199 -34.9399 -15.5282 -34.9398 51.8756 64.3593 -15.5283 64.3595 -0.795383 GPRESSAVG: 2797800 -41.9371 -30.5854 -16.5218 -36.7413 51.7431 62.9599 -14.8431 65.778 -0.891218 TIMING: 2797800 CPU: 8342.97, 0.00300814/step Wall: 8342.97, 0.00300814/step, 1.84015 hours remaining, 206.136719 MB of memory in use. ENERGY: 2797800 746.2160 2051.7829 1919.7976 95.3844 -205713.4833 17340.3142 0.0000 0.0000 34378.2156 -149181.7726 300.2335 -183559.9882 -149085.3494 298.5408 -185.1937 -153.4163 557207.9750 3.0201 2.9716 PRESSURE: 2798000 -136.991 0.0632139 76.9683 0.0619509 134.173 -251.354 76.968 -251.354 -100.909 GPRESSURE: 2798000 -121.781 -18.0527 117.292 9.12111 165.926 -231.197 56.2544 -299.551 -60.8644 PRESSAVG: 2798000 -7.39751 2.63796 -13.3753 2.63799 -8.95948 -39.6979 -13.3753 -39.698 26.264 GPRESSAVG: 2798000 -7.28783 2.26206 -11.5399 4.53331 -8.35042 -40.1478 -12.6849 -39.1346 25.5162 TIMING: 2798000 CPU: 8343.57, 0.00300853/step Wall: 8343.57, 0.00300853/step, 1.84022 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: 2798000 744.3692 2078.8296 1949.2216 123.9127 -205957.8195 17657.2817 0.0000 0.0000 34233.5361 -149170.6687 298.9700 -183404.2048 -149072.0338 300.0431 -34.5756 -5.5729 556738.7533 3.3023 3.2927 PRESSURE: 2798200 -40.4142 125.503 125.352 125.503 -295.127 13.1066 125.353 13.1078 130.022 GPRESSURE: 2798200 6.55503 77.8681 84.3981 133.846 -248.294 0.166957 159.944 -24.8152 124.111 PRESSAVG: 2798200 -68.2912 50.8313 18.2624 50.8313 50.9093 -36.4399 18.2624 -36.4399 -7.4665 GPRESSAVG: 2798200 -69.1082 49.3741 16.9277 51.4473 51.004 -35.5156 16.5199 -35.8053 -6.95621 TIMING: 2798200 CPU: 8344.17, 0.00300125/step Wall: 8344.17, 0.00300125/step, 1.8356 hours remaining, 206.136719 MB of memory in use. ENERGY: 2798200 788.5003 2070.7148 1952.2662 105.9236 -206263.9145 17950.4285 0.0000 0.0000 34488.6610 -148907.4200 301.1981 -183396.0810 -148816.0311 299.4825 -68.5066 -39.2096 557122.6394 -8.2828 -8.3535 PRESSURE: 2798400 -236.809 110.354 2.3617 110.354 14.1645 128.404 2.36068 128.404 -122.117 GPRESSURE: 2798400 -204.532 49.6529 69.1855 88.8942 32.5825 141.805 -55.1937 206.057 -72.6969 PRESSAVG: 2798400 1.33231 0.674737 -15.4307 0.674675 -0.190214 -2.76393 -15.4308 -2.76384 6.69047 GPRESSAVG: 2798400 0.935061 -1.0022 -14.4081 0.470964 -1.16205 -1.72406 -14.4169 -3.61519 8.39592 TIMING: 2798400 CPU: 8344.78, 0.0030101/step Wall: 8344.78, 0.0030101/step, 1.84084 hours remaining, 206.136719 MB of memory in use. ENERGY: 2798400 754.6667 2134.7481 1960.6340 112.6797 -205839.9041 17644.9857 0.0000 0.0000 34281.5733 -148950.6166 299.3895 -183232.1899 -148859.1413 299.9365 -114.9207 -81.5489 557582.4958 2.6109 2.7230 PRESSURE: 2798600 97.619 -11.1599 34.0458 -11.1608 -129.427 13.9206 34.0456 13.9208 30.4632 GPRESSURE: 2798600 123.268 65.5965 39.1948 -14.0114 -15.9984 -73.6524 -81.426 118.376 -8.84341 PRESSAVG: 2798600 36.819 -4.25463 43.547 -4.2547 -35.433 -3.82359 43.547 -3.82375 27.0082 GPRESSAVG: 2798600 36.4379 -1.50435 41.4388 -6.38129 -33.9774 -5.69564 44.2723 -2.69692 25.753 TIMING: 2798600 CPU: 8345.38, 0.00300959/step Wall: 8345.38, 0.00300959/step, 1.84036 hours remaining, 206.136719 MB of memory in use. ENERGY: 2798600 756.8963 2102.5122 1967.4385 110.4169 -205861.3049 17607.1951 0.0000 0.0000 34510.2783 -148806.5676 301.3868 -183316.8458 -148713.5939 300.1448 -0.4483 32.8086 556326.2017 9.4647 9.4045 PRESSURE: 2798800 -113.775 -153.654 82.226 -153.654 -126.248 73.8305 82.2274 73.8294 -185.577 GPRESSURE: 2798800 -63.8807 -27.9654 165.744 -233.354 -88.7506 23.2165 101.574 108.454 -168.627 PRESSAVG: 2798800 -53.181 -4.36036 21.7754 -4.36033 28.8194 9.6068 21.7753 9.60681 -4.87602 GPRESSAVG: 2798800 -52.1122 -4.95522 24.7608 -2.62325 27.6004 10.3096 19.983 8.83547 -4.51204 TIMING: 2798800 CPU: 8345.98, 0.00299254/step Wall: 8345.98, 0.00299254/step, 1.82977 hours remaining, 206.136719 MB of memory in use. ENERGY: 2798800 794.3883 2147.5042 1958.2575 110.3765 -205843.2460 17705.4846 0.0000 0.0000 34308.2860 -148818.9489 299.6228 -183127.2349 -148723.9505 300.3181 -141.8665 -107.0862 558486.8676 -9.7459 -9.6746 PRESSURE: 2799000 92.1617 -55.6661 -21.2679 -55.6658 94.0649 90.3406 -21.2681 90.3408 63.3928 GPRESSURE: 2799000 100.943 -56.5556 13.0467 51.6199 134.181 141.751 -56.3707 86.6737 104.836 PRESSAVG: 2799000 -45.345 6.76958 58.0416 6.76957 10.7284 -8.66038 58.0418 -8.66032 26.1123 GPRESSAVG: 2799000 -46.2163 6.14215 56.9441 7.65138 11.7942 -9.95452 58.556 -8.83212 25.0202 TIMING: 2799000 CPU: 8346.58, 0.00301697/step Wall: 8346.58, 0.00301697/step, 1.84454 hours remaining, 206.136719 MB of memory in use. ENERGY: 2799000 725.7042 2093.5777 1967.1374 112.8292 -205890.3082 17737.7827 0.0000 0.0000 34235.6328 -149017.6442 298.9883 -183253.2770 -148923.6257 300.3303 83.2064 113.3199 557386.2825 -2.8348 -3.1340 PRESSURE: 2799200 -107.396 177.347 97.9796 177.346 -27.9936 133.825 97.9803 133.826 -154.583 GPRESSURE: 2799200 -116.933 207.357 137.998 139.746 53.3679 111.026 70.7895 157.958 -120.451 PRESSAVG: 2799200 24.6309 14.2721 -11.8988 14.2721 77.7821 12.2608 -11.8987 12.2608 -57.025 GPRESSAVG: 2799200 24.1794 15.5708 -14.58 10.9834 77.0202 11.8986 -10.1469 12.352 -55.3522 TIMING: 2799200 CPU: 8347.18, 0.00299831/step Wall: 8347.18, 0.00299831/step, 1.83297 hours remaining, 206.136719 MB of memory in use. ENERGY: 2799200 718.6811 2037.6238 1971.2240 118.4637 -205914.4297 17782.6457 0.0000 0.0000 34252.6216 -149033.1698 299.1367 -183285.7914 -148932.4670 299.9147 -96.6575 -61.3388 557635.7405 15.1293 15.2825 PRESSURE: 2799400 -176.729 147.527 57.3152 147.528 90.4565 139.083 57.3149 139.083 -134.301 GPRESSURE: 2799400 -153.404 120.089 100.72 177.163 126.155 36.9093 58.928 164.343 -89.9047 PRESSAVG: 2799400 -14.6792 -25.0952 66.4424 -25.0952 41.8212 36.4253 66.4424 36.4253 -53.513 GPRESSAVG: 2799400 -12.9021 -25.7626 69.6826 -23.1497 41.0682 37.1186 65.7291 35.6778 -54.735 TIMING: 2799400 CPU: 8347.78, 0.00298631/step Wall: 8347.78, 0.00298631/step, 1.82547 hours remaining, 206.136719 MB of memory in use. ENERGY: 2799400 758.9262 2063.8425 1977.9404 118.7225 -205877.8476 17663.3071 0.0000 0.0000 34416.1196 -148878.9893 300.5645 -183295.1089 -148783.8138 299.4565 -73.5244 -39.0512 557269.8419 -8.7903 -8.8563 PRESSURE: 2799600 208.535 -188.748 -57.7539 -188.749 151.588 39.3629 -57.7534 39.3641 196.551 GPRESSURE: 2799600 293.315 -159.885 34.9776 -154.448 146.933 54.0684 -58.4963 -42.6227 215.826 PRESSAVG: 2799600 8.68885 4.42639 45.9757 4.42626 -16.9753 0.878755 45.9756 0.878787 -8.10029 GPRESSAVG: 2799600 8.47285 4.24784 45.3688 4.98649 -16.9083 1.56281 46.7856 0.147572 -8.49037 TIMING: 2799600 CPU: 8348.38, 0.00299693/step Wall: 8348.38, 0.00299693/step, 1.83179 hours remaining, 206.136719 MB of memory in use. ENERGY: 2799600 701.0418 2083.2843 1966.7369 119.5365 -206185.7756 17995.8596 0.0000 0.0000 34291.8699 -149027.4466 299.4794 -183319.3166 -148932.7979 300.0434 185.5583 218.6914 555643.8887 -5.4622 -5.6419 PRESSURE: 2799800 -66.7775 -6.24187 80.5988 -6.241 206.502 -147.618 80.5992 -147.618 -77.9001 GPRESSURE: 2799800 -47.6485 46.6616 84.5314 51.0721 260.747 -175.279 91.0047 -54.1066 -66.8092 PRESSAVG: 2799800 6.89572 15.2176 23.4422 15.2176 -29.6979 4.74109 23.4422 4.74118 43.1983 GPRESSAVG: 2799800 6.75603 16.1691 23.7798 14.6098 -29.9358 2.8179 19.7986 6.0799 43.8146 TIMING: 2799800 CPU: 8348.97, 0.00297155/step Wall: 8348.97, 0.00297155/step, 1.81611 hours remaining, 206.136719 MB of memory in use. ENERGY: 2799800 766.5878 2130.7219 1948.1162 111.7718 -206118.0588 17750.2218 0.0000 0.0000 34328.5954 -149082.0439 299.8002 -183410.6394 -148987.4105 299.4916 20.6080 48.7630 557195.6677 6.7987 6.8783 PRESSURE: 2800000 -89.8505 -249.578 -24.0958 -249.578 228.177 -71.9371 -24.0953 -71.9376 15.1201 GPRESSURE: 2800000 -38.6452 -153.691 8.5751 -321.384 259.464 -87.6548 -83.7114 12.9225 21.1772 PRESSAVG: 2800000 57.4485 -16.3967 -33.9741 -16.3967 -44.937 -11.9136 -33.974 -11.9136 8.80918 GPRESSAVG: 2800000 57.7867 -16.4095 -33.6866 -15.2915 -43.724 -10.3119 -32.8375 -12.2292 7.60503 TIMING: 2800000 CPU: 8349.57, 0.0029998/step Wall: 8349.57, 0.0029998/step, 1.83321 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: 2800000 747.0501 2091.1585 1944.5170 102.1779 -206426.9203 18008.1466 0.0000 0.0000 34166.8835 -149366.9866 298.3879 -183533.8702 -149273.5090 299.6958 51.1490 80.6654 557095.4535 7.1069 7.2226 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2800000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 2800000 WRITING COORDINATES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 2800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 2800200 164.656 93.9755 94.7556 93.9747 -117.95 -31.3108 94.7556 -31.3123 131.296 GPRESSURE: 2800200 275.326 31.4213 210.798 111.373 -147.828 -16.8577 8.41676 38.1456 153.912 PRESSAVG: 2800200 10.6143 -35.5018 -2.63684 -35.5019 -75.3534 15.9942 -2.6369 15.9942 47.6595 GPRESSAVG: 2800200 10.9081 -35.2191 -1.2674 -36.8846 -77.0925 16.7375 -3.24471 16.9706 48.8462 TIMING: 2800200 CPU: 8350.31, 0.00368986/step Wall: 8350.31, 0.00368986/step, 2.25471 hours remaining, 206.242188 MB of memory in use. ENERGY: 2800200 791.1396 2085.2785 1945.8327 110.1514 -206332.0312 17879.2047 0.0000 0.0000 34213.8133 -149306.6111 298.7977 -183520.4243 -149208.4793 298.5650 59.3339 93.8035 557765.0434 -5.6932 -5.7794 LDB: ============= START OF LOAD BALANCING ============== 8353.74 LDB: ============== END OF LOAD BALANCING =============== 8353.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8353.74 LDB: ============= START OF LOAD BALANCING ============== 8354.04 LDB: Largest compute 4819 load 0.024319 is 20.6% of average load 0.117993 LDB: Average compute 0.001738 is 1.5% of average load 0.117993 LDB: TIME 8354.05 LOAD: AVG 0.117993 MAX 0.208542 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.676 MB LDB: TIME 8354.05 LOAD: AVG 0.117993 MAX 0.208542 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.879 MB LDB: TIME 8354.05 LOAD: AVG 0.117993 MAX 0.208542 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.879 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8354.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8354.05 PRESSURE: 2800400 156.881 -39.9351 130.624 -39.9349 -152.195 136.09 130.624 136.091 43.6294 GPRESSURE: 2800400 167.077 -11.3551 214.297 -47.8336 -40.2513 122.909 125.162 136.654 11.4836 PRESSAVG: 2800400 26.883 -6.4347 19.1377 -6.43481 22.8323 64.9506 19.1378 64.9505 -5.18694 GPRESSAVG: 2800400 26.1775 -7.65952 19.1338 -6.05268 23.522 65.4381 18.6054 64.1504 -6.35247 TIMING: 2800400 CPU: 8350.92, 0.00307311/step Wall: 8350.92, 0.00307311/step, 1.87767 hours remaining, 205.878906 MB of memory in use. ENERGY: 2800400 733.7217 2103.8073 1941.8282 115.4563 -205970.8688 17809.8928 0.0000 0.0000 33956.3811 -149309.7813 296.5495 -183266.1624 -149212.5710 298.8898 16.1053 46.1031 557531.7560 14.8428 14.4490 PRESSURE: 2800600 -166.44 -96.4599 218.067 -96.4596 -204.133 -14.9982 218.068 -14.9998 -53.5504 GPRESSURE: 2800600 -129.278 -82.7942 209.23 -101.411 -179.108 -66.4631 195.839 3.7904 -18.8791 PRESSAVG: 2800600 -49.4944 18.1251 44.9299 18.1251 6.44368 5.83838 44.9298 5.83843 52.6113 GPRESSAVG: 2800600 -49.2709 17.7988 41.6127 19.8299 6.40371 5.41586 48.2338 5.90608 52.7478 TIMING: 2800600 CPU: 8351.52, 0.00300281/step Wall: 8351.52, 0.00300281/step, 1.83455 hours remaining, 206.144531 MB of memory in use. ENERGY: 2800600 781.2807 2116.4184 1963.3199 111.4753 -206139.2300 17676.2103 0.0000 0.0000 34318.5255 -149171.9999 299.7122 -183490.5254 -149082.4303 298.8706 -141.3747 -109.0886 557741.6616 3.1868 3.2936 PRESSURE: 2800800 -140.512 47.6206 -26.8111 47.6203 83.7458 -80.0238 -26.8118 -80.0237 125.166 GPRESSURE: 2800800 -106.539 77.8005 -57.1331 71.2974 117.855 -81.7787 -49.4993 4.59923 140.276 PRESSAVG: 2800800 32.5236 0.0851092 -20.1342 0.0850247 9.57299 -37.1505 -20.1343 -37.1505 -4.5756 GPRESSAVG: 2800800 32.5785 2.72198 -20.0401 -2.93904 8.38177 -35.9788 -21.3618 -39.0381 -4.31534 TIMING: 2800800 CPU: 8352.13, 0.0030229/step Wall: 8352.13, 0.0030229/step, 1.84666 hours remaining, 206.144531 MB of memory in use. ENERGY: 2800800 732.8734 2145.7942 1945.1101 120.8107 -205780.7188 17530.7618 0.0000 0.0000 34143.8918 -149161.4768 298.1871 -183305.3685 -149068.2717 299.8765 22.7999 50.5305 555488.7510 12.5070 12.2150 PRESSURE: 2801000 -197.381 -99.9323 45.953 -99.9323 -213.292 -84.8704 45.9528 -84.873 -242.97 GPRESSURE: 2801000 -180.994 -80.7293 87.1377 -165.009 -186.6 -136.453 14.2347 -102.418 -197.676 PRESSAVG: 2801000 -39.6706 -58.9776 -6.22799 -58.9777 -26.2693 -68.7929 -6.22799 -68.793 17.0765 GPRESSAVG: 2801000 -39.0895 -60.5728 -3.81246 -60.4301 -26.3763 -69.1751 -7.19362 -65.858 16.9347 TIMING: 2801000 CPU: 8352.73, 0.00302422/step Wall: 8352.73, 0.00302422/step, 1.84729 hours remaining, 206.144531 MB of memory in use. ENERGY: 2801000 732.2506 2044.8816 1927.4429 120.7914 -205803.6745 17244.0835 0.0000 0.0000 34549.8968 -149184.3278 301.7328 -183734.2245 -149079.4591 299.8022 -217.8810 -188.4234 556667.7433 -16.2878 -16.1770 PRESSURE: 2801200 -112.258 -151.899 14.5051 -151.898 -96.7054 -46.5596 14.5054 -46.5603 -154.993 GPRESSURE: 2801200 -79.1306 -113.249 -20.2475 -161.995 -107.18 -115.147 8.37988 40.7381 -71.6561 PRESSAVG: 2801200 52.224 -89.5645 34.8184 -89.5644 -27.4187 -11.3744 34.8184 -11.3743 -64.8625 GPRESSAVG: 2801200 52.6505 -90.5604 35.0975 -88.0112 -28.1739 -13.0385 34.3248 -9.8362 -64.0725 TIMING: 2801200 CPU: 8353.34, 0.00302785/step Wall: 8353.34, 0.00302785/step, 1.84934 hours remaining, 206.144531 MB of memory in use. ENERGY: 2801200 760.9844 2073.9471 1960.4624 114.2722 -205848.1259 17719.5313 0.0000 0.0000 34101.0129 -149117.9155 297.8126 -183218.9285 -149024.2962 298.5889 -121.3189 -85.9888 557066.6509 -13.3524 -13.1986 PRESSURE: 2801400 49.7341 -19.1737 -7.59933 -19.1732 66.6503 44.0463 -7.6004 44.0473 -74.4539 GPRESSURE: 2801400 118.674 -88.8923 -103.514 -19.6269 50.0249 18.5391 48.8574 135.327 -17.3096 PRESSAVG: 2801400 66.8344 -27.1566 47.2239 -27.1567 10.0304 -29.7349 47.2239 -29.7349 -44.5117 GPRESSAVG: 2801400 65.131 -28.2653 43.0775 -26.1355 11.8604 -29.3876 51.316 -32.0211 -44.1828 TIMING: 2801400 CPU: 8353.94, 0.00301802/step Wall: 8353.94, 0.00301802/step, 1.84317 hours remaining, 206.144531 MB of memory in use. ENERGY: 2801400 779.8937 2098.9571 1939.3633 108.1578 -206128.4257 17894.0121 0.0000 0.0000 34363.3097 -148944.7320 300.1033 -183308.0417 -148846.9719 299.5467 13.9768 50.4630 558065.3478 10.7843 10.9362 PRESSURE: 2801600 -241.346 -10.8918 -50.1818 -10.8905 -30.6147 76.536 -50.1812 76.5362 107.78 GPRESSURE: 2801600 -232.331 -51.9923 -84.0112 -43.5035 25.1294 157.83 -90.8234 95.1136 140.35 PRESSAVG: 2801600 19.4029 -34.6014 -11.5466 -34.6012 -14.5498 -26.3902 -11.5466 -26.3902 -28.8918 GPRESSAVG: 2801600 20.2084 -32.9531 -10.2371 -34.9181 -14.1884 -25.5602 -13.5395 -25.159 -30.1885 TIMING: 2801600 CPU: 8354.54, 0.00301171/step Wall: 8354.54, 0.00301171/step, 1.83915 hours remaining, 206.144531 MB of memory in use. ENERGY: 2801600 754.3975 2056.4902 1950.4697 117.0766 -206211.6886 17680.8782 0.0000 0.0000 34712.4087 -148939.9677 303.1521 -183652.3764 -148843.1291 300.2570 -54.7272 -22.2837 557054.0066 -8.0129 -8.0562 PRESSURE: 2801800 230.57 62.6038 86.8828 62.6024 -53.4447 125.716 86.8814 125.717 30.813 GPRESSURE: 2801800 262.445 53.879 101.633 71.5333 -6.62535 151.894 95.9735 87.3794 50.3309 PRESSAVG: 2801800 11.6645 -25.2315 9.59869 -25.2315 -22.3832 46.7587 9.59875 46.7587 57.8762 GPRESSAVG: 2801800 11.7914 -26.4228 11.1282 -24.2188 -22.6445 46.1631 9.36728 44.5955 57.3405 TIMING: 2801800 CPU: 8355.15, 0.00301366/step Wall: 8355.15, 0.00301366/step, 1.84017 hours remaining, 206.144531 MB of memory in use. ENERGY: 2801800 781.5064 2045.9605 1925.4486 106.2833 -206207.0744 17969.6671 0.0000 0.0000 34243.3446 -149134.8638 299.0556 -183378.2084 -149037.5432 300.0913 69.3126 102.0502 557654.9624 15.7192 15.4958 PRESSURE: 2802000 63.5163 -4.6097 65.1146 -4.61013 30.0303 -51.7585 65.1155 -51.7598 -81.6957 GPRESSURE: 2802000 123.029 38.341 124.923 -22.0301 9.47544 -118.692 15.1767 10.3258 -16.3246 PRESSAVG: 2802000 8.80222 40.4216 8.2334 40.4216 7.94577 13.4971 8.23339 13.4971 13.025 GPRESSAVG: 2802000 8.45533 41.8591 7.71825 40.114 7.95815 11.7894 7.04577 16.2812 13.0639 TIMING: 2802000 CPU: 8355.74, 0.00297955/step Wall: 8355.74, 0.00297955/step, 1.81918 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: 2802000 761.6688 2140.5810 1886.4856 106.9363 -205963.0551 17642.5624 0.0000 0.0000 34506.2620 -148918.5590 301.3518 -183424.8210 -148824.0219 299.9312 3.9503 38.7265 556901.1537 9.9243 9.8258 PRESSURE: 2802200 -18.121 37.4923 -13.9568 37.493 -64.6586 231.535 -13.9571 231.535 -78.9349 GPRESSURE: 2802200 29.2298 125.689 -56.7104 -38.8072 -59.965 257.746 -10.6032 158.066 -45.0406 PRESSAVG: 2802200 -61.5136 -6.55481 -4.98774 -6.55485 57.6452 0.201183 -4.9877 0.201188 17.2573 GPRESSAVG: 2802200 -60.7774 -5.63903 -4.36677 -9.82072 58.4403 2.1222 -4.48276 -1.78833 16.3678 TIMING: 2802200 CPU: 8356.34, 0.00297763/step Wall: 8356.34, 0.00297763/step, 1.81784 hours remaining, 206.144531 MB of memory in use. ENERGY: 2802200 739.2952 2081.1132 1921.9320 112.9737 -205838.0145 17735.6210 0.0000 0.0000 34583.3994 -148663.6800 302.0254 -183247.0794 -148566.6152 301.1166 -53.9048 -25.2586 558000.1469 4.4630 4.6769 PRESSURE: 2802400 58.2474 3.51647 39.2493 3.51639 15.9988 -106.517 39.2497 -106.518 115.008 GPRESSURE: 2802400 149.131 51.9178 13.481 -13.5143 61.3681 -130.17 44.3403 -100.713 76.8189 PRESSAVG: 2802400 -39.7147 41.6774 -12.8028 41.6775 -30.8757 -30.9683 -12.8027 -30.9682 32.9366 GPRESSAVG: 2802400 -39.9557 40.9958 -12.2063 44.5708 -31.3085 -29.5488 -14.2793 -32.9508 33.8236 TIMING: 2802400 CPU: 8356.94, 0.00299528/step Wall: 8356.94, 0.00299528/step, 1.82845 hours remaining, 206.144531 MB of memory in use. ENERGY: 2802400 712.5645 2071.2503 1938.5735 117.7521 -205748.0951 17751.1642 0.0000 0.0000 34433.2615 -148723.5288 300.7142 -183156.7903 -148630.5441 300.2148 63.0848 95.7726 558177.9435 -12.5513 -12.4802 PRESSURE: 2802600 -409.293 115.442 -70.3534 115.441 -59.2959 -121.812 -70.3524 -121.813 2.89489 GPRESSURE: 2802600 -348.659 58.4014 -4.23387 120.508 -24.9714 -156.514 -76.4662 -100.684 17.4468 PRESSAVG: 2802600 -25.0171 5.27996 -11.2269 5.27997 2.86509 18.7978 -11.2269 18.7978 63.5275 GPRESSAVG: 2802600 -24.0833 4.9969 -13.6695 5.61845 0.105089 15.1625 -7.22249 22.2081 65.0031 TIMING: 2802600 CPU: 8357.54, 0.00299421/step Wall: 8357.54, 0.00299421/step, 1.82763 hours remaining, 206.144531 MB of memory in use. ENERGY: 2802600 756.0623 2090.5756 1935.5352 100.9420 -205642.5131 17662.1627 0.0000 0.0000 34343.2158 -148754.0195 299.9278 -183097.2353 -148655.6830 300.0243 -155.2312 -118.7277 560324.0250 13.7918 13.6750 PRESSURE: 2802800 -202.278 119.483 43.7781 119.484 150.469 -77.9928 43.7775 -77.9913 -117.923 GPRESSURE: 2802800 -158.536 127.962 -11.354 85.4222 133.187 -34.3787 140.337 -59.742 -50.5703 PRESSAVG: 2802800 -13.9588 -19.0939 -22.2112 -19.0939 -36.802 11.8827 -22.2113 11.8827 26.9685 GPRESSAVG: 2802800 -15.1038 -20.5438 -21.3704 -19.0395 -35.3607 14.1082 -23.0476 10.0888 26.333 TIMING: 2802800 CPU: 8358.14, 0.00303581/step Wall: 8358.14, 0.00303581/step, 1.85286 hours remaining, 206.144531 MB of memory in use. ENERGY: 2802800 764.0342 2161.8561 1922.8110 109.2961 -205782.9120 17681.0682 0.0000 0.0000 34364.1715 -148779.6748 300.1109 -183143.8463 -148681.1755 299.9591 -56.5775 -25.3066 559933.8308 -7.9308 -8.0438 PRESSURE: 2803000 -26.2902 -2.66512 129.249 -2.66385 144.158 -32.9807 129.25 -32.98 13.4351 GPRESSURE: 2803000 -15.8117 23.672 145.582 52.3518 174.844 -51.8817 135.023 -54.693 63.9444 PRESSAVG: 2803000 22.1532 1.10882 33.1327 1.10888 -35.8202 -11.1138 33.1325 -11.1138 -10.7572 GPRESSAVG: 2803000 22.9562 3.59766 34.4242 -2.3199 -37.0681 -11.9283 31.5956 -9.82702 -10.3158 TIMING: 2803000 CPU: 8358.75, 0.00302594/step Wall: 8358.75, 0.00302594/step, 1.84666 hours remaining, 206.144531 MB of memory in use. ENERGY: 2803000 752.9556 2117.7574 1922.7141 111.9423 -206125.1673 18014.0513 0.0000 0.0000 34454.5798 -148751.1668 300.9004 -183205.7466 -148652.7834 300.2786 43.7677 74.3256 559192.5653 -8.1414 -8.1426 PRESSURE: 2803200 -54.4478 -58.5774 -62.4383 -58.5765 -256.312 99.5453 -62.4371 99.5454 -61.3174 GPRESSURE: 2803200 -63.1786 -113.761 -16.093 -16.666 -141.257 33.0797 -62.9841 124.559 -80.5924 PRESSAVG: 2803200 47.2685 -45.9847 9.33132 -45.9847 -48.9491 25.9974 9.33135 25.9974 20.0941 GPRESSAVG: 2803200 46.5996 -47.4204 8.95355 -43.7643 -46.4058 25.0516 10.3523 26.276 17.8528 TIMING: 2803200 CPU: 8359.35, 0.00302716/step Wall: 8359.35, 0.00302716/step, 1.84724 hours remaining, 206.144531 MB of memory in use. ENERGY: 2803200 740.9746 2125.8929 1940.1776 112.5600 -205744.8201 17459.5013 0.0000 0.0000 34511.3219 -148854.3919 301.3960 -183365.7138 -148759.6007 300.6706 -124.0256 -95.0093 558120.0632 6.1378 6.0155 PRESSURE: 2803400 183.414 -44.0941 -5.91276 -44.0948 121.944 111.66 -5.91375 111.659 -252.506 GPRESSURE: 2803400 218.157 -65.6801 -20.744 11.841 126.004 153.656 50.5482 97.1523 -183.882 PRESSAVG: 2803400 -1.14457 -8.21547 -10.5305 -8.21559 6.49716 40.2282 -10.5306 40.2281 51.2627 GPRESSAVG: 2803400 -1.14572 -8.94605 -10.4768 -7.54443 6.06016 41.0234 -11.0706 40.0035 51.5048 TIMING: 2803400 CPU: 8359.96, 0.00304068/step Wall: 8359.96, 0.00304068/step, 1.85532 hours remaining, 206.144531 MB of memory in use. ENERGY: 2803400 723.7070 2101.0401 1943.1752 99.4360 -206112.2353 17817.4725 0.0000 0.0000 34315.3738 -149112.0307 299.6847 -183427.4045 -149017.6337 300.1614 17.6175 53.4260 558062.4838 18.8718 18.8064 PRESSURE: 2803600 -205.729 -44.7053 -207.873 -44.7054 -133.929 -39.2235 -207.872 -39.223 -143.483 GPRESSURE: 2803600 -155.536 -87.9314 -159.771 -50.9954 -94.1189 58.7719 -215.002 -135.512 -125.762 PRESSAVG: 2803600 -22.3025 8.05406 -13.8029 8.05407 -3.78093 30.8594 -13.8029 30.8594 -10.2066 GPRESSAVG: 2803600 -21.8258 7.1761 -13.8465 7.56254 -5.44118 31.5824 -13.9643 28.2498 -9.78291 TIMING: 2803600 CPU: 8360.57, 0.00304968/step Wall: 8360.57, 0.00304968/step, 1.86064 hours remaining, 206.144531 MB of memory in use. ENERGY: 2803600 758.5803 2112.6321 1930.2194 108.6488 -206009.1258 17758.0175 0.0000 0.0000 34267.8205 -149073.2073 299.2694 -183341.0278 -148977.1603 299.7986 -161.0472 -125.1387 559534.8939 -12.0967 -12.3500 PRESSURE: 2803800 -284.136 -128.532 46.4142 -128.533 -72.6772 -17.4458 46.4135 -17.4455 -52.9681 GPRESSURE: 2803800 -222.644 -153.041 47.1605 -81.9945 -49.4239 -154.358 45.0851 96.8597 -46.4833 PRESSAVG: 2803800 -10.3488 -31.6129 -71.913 -31.6129 -38.8301 9.53822 -71.9129 9.53834 -15.0872 GPRESSAVG: 2803800 -11.4634 -30.1731 -71.0117 -33.4419 -37.7685 8.17394 -72.8583 11.253 -14.6842 TIMING: 2803800 CPU: 8361.18, 0.00301612/step Wall: 8361.18, 0.00301612/step, 1.84 hours remaining, 206.144531 MB of memory in use. ENERGY: 2803800 774.0487 2137.4099 1944.2844 108.4375 -205805.6239 17654.9315 0.0000 0.0000 33991.0915 -149195.4202 296.8527 -183186.5117 -149098.7745 298.9349 -136.5937 -106.1838 559445.5153 -21.4220 -21.3053 PRESSURE: 2804000 276.129 -104.077 70.4867 -104.076 21.8588 49.9719 70.4862 49.9724 67.7184 GPRESSURE: 2804000 269.393 -131.312 96.9637 -142.931 54.3752 104.631 37.0416 5.81804 138.375 PRESSAVG: 2804000 -10.3026 -18.9408 -32.2521 -18.9408 -0.111486 42.8996 -32.2521 42.8997 13.0035 GPRESSAVG: 2804000 -8.50196 -20.3791 -34.8423 -18.9104 -1.51366 43.4423 -31.0973 44.3858 12.6972 TIMING: 2804000 CPU: 8361.78, 0.00301795/step Wall: 8361.78, 0.00301795/step, 1.84095 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: 2804000 766.9463 2090.1125 1950.8610 103.3973 -206509.5547 18030.8038 0.0000 0.0000 34281.7501 -149285.6836 299.3911 -183567.4337 -149187.4211 298.4818 121.9021 154.0475 558335.9503 0.8631 0.8939 PRESSURE: 2804200 82.412 17.5528 -41.4331 17.5517 111.721 17.823 -41.4325 17.822 -71.7588 GPRESSURE: 2804200 118.353 -48.1927 63.2244 66.4181 116.057 17.89 -109.185 58.0295 -12.1278 PRESSAVG: 2804200 -6.98061 6.62017 -5.73113 6.62022 -13.9739 14.1992 -5.73122 14.1991 12.4806 GPRESSAVG: 2804200 -7.94665 7.84323 -2.16932 7.60585 -12.5741 14.4364 -8.34928 12.4556 11.8192 TIMING: 2804200 CPU: 8362.38, 0.00300055/step Wall: 8362.38, 0.00300055/step, 1.83017 hours remaining, 206.144531 MB of memory in use. ENERGY: 2804200 759.3851 2130.9831 1919.9838 109.3146 -206526.5142 17981.3828 0.0000 0.0000 34292.6188 -149332.8460 299.4860 -183625.4648 -149236.7203 298.7263 40.7913 74.0941 558103.4793 -2.8246 -2.9005 LDB: ============= START OF LOAD BALANCING ============== 8365.81 LDB: ============== END OF LOAD BALANCING =============== 8365.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8365.81 LDB: ============= START OF LOAD BALANCING ============== 8366.12 LDB: Largest compute 4821 load 0.025677 is 21.8% of average load 0.117960 LDB: Average compute 0.001749 is 1.5% of average load 0.117960 LDB: TIME 8366.12 LOAD: AVG 0.11796 MAX 0.209936 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 8366.12 LOAD: AVG 0.11796 MAX 0.209936 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: TIME 8366.13 LOAD: AVG 0.11796 MAX 0.209936 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: ============== END OF LOAD BALANCING =============== 8366.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8366.13 PRESSURE: 2804400 -193 39.6252 10.1873 39.6256 25.2432 148.537 10.1867 148.538 -192.179 GPRESSURE: 2804400 -135.896 11.7391 -32.1293 46.0779 68.8759 133.281 -7.02838 66.211 -197.079 PRESSAVG: 2804400 -18.1618 29.8137 27.8026 29.8137 21.8942 -0.214278 27.8025 -0.214278 -34.5284 GPRESSAVG: 2804400 -19.0844 27.6182 25.9416 30.1379 22.445 -1.62729 29.4484 0.333948 -33.7984 TIMING: 2804400 CPU: 8363, 0.00311053/step Wall: 8363, 0.00311053/step, 1.89708 hours remaining, 207.480469 MB of memory in use. ENERGY: 2804400 713.5957 2162.3655 1929.8033 126.3570 -205940.0324 17577.9617 0.0000 0.0000 34169.7299 -149260.2192 298.4128 -183429.9492 -149159.5763 298.4764 -119.9786 -88.0333 558954.2980 -10.2653 -10.1459 PRESSURE: 2804600 3.61326 -100.371 -139.561 -100.37 -10.5867 -63.5724 -139.561 -63.5715 158.717 GPRESSURE: 2804600 60.5713 -112.475 -61.8578 -89.0392 1.83668 -125.537 -178.45 -118.113 182.562 PRESSAVG: 2804600 -1.79825 18.3551 -36.6023 18.3552 39.896 34.3174 -36.6023 34.3173 -71.0452 GPRESSAVG: 2804600 -1.3437 20.1332 -36.3237 18.4004 38.7261 35.9688 -36.0781 32.2322 -71.0815 TIMING: 2804600 CPU: 8363.6, 0.00300295/step Wall: 8363.6, 0.00300296/step, 1.8313 hours remaining, 207.679688 MB of memory in use. ENERGY: 2804600 740.8201 2099.7728 1924.8322 100.5083 -206250.3763 17886.7079 0.0000 0.0000 34299.8194 -149197.9157 299.5489 -183497.7350 -149098.0870 299.3026 50.5811 81.6567 557604.7587 -10.9825 -11.2330 PRESSURE: 2804800 40.5219 -49.7062 -10.5623 -49.7071 233.684 -139.729 -10.563 -139.727 168.679 GPRESSURE: 2804800 92.986 -64.1389 26.8339 -13.9953 322.863 -157.622 -27.1544 -113.031 129.509 PRESSAVG: 2804800 -16.8839 19.9861 -45.5122 19.9861 53.1109 -16.9377 -45.5124 -16.9376 -44.8135 GPRESSAVG: 2804800 -17.0966 19.323 -45.0204 20.444 53.5314 -18.0785 -45.5899 -15.384 -44.9471 TIMING: 2804800 CPU: 8364.21, 0.00303964/step Wall: 8364.21, 0.00303964/step, 1.85351 hours remaining, 207.679688 MB of memory in use. ENERGY: 2804800 723.2845 2144.6486 1952.6672 107.5541 -206021.1112 17752.5405 0.0000 0.0000 34316.9608 -149023.4555 299.6986 -183340.4163 -148926.2629 299.5012 147.6281 181.7859 555955.5996 -2.8622 -2.8374 PRESSURE: 2805000 -100.608 38.9543 -112.016 38.9544 -229.241 -18.3125 -112.015 -18.313 -32.2147 GPRESSURE: 2805000 -110.932 155.665 -94.9504 -45.5468 -142.678 -84.5611 -77.2163 -36.2233 -3.18901 PRESSAVG: 2805000 32.7879 -32.6877 -17.9455 -32.6877 22.6828 -60.3664 -17.9455 -60.3665 -7.03299 GPRESSAVG: 2805000 32.1761 -31.9947 -19.1171 -33.9548 23.061 -60.2579 -17.5181 -59.4497 -6.47285 TIMING: 2805000 CPU: 8364.82, 0.00305377/step Wall: 8364.82, 0.00305377/step, 1.86195 hours remaining, 207.679688 MB of memory in use. ENERGY: 2805000 769.9581 2142.7507 1939.8399 100.5045 -205978.2437 17496.2376 0.0000 0.0000 34388.0881 -149140.8649 300.3197 -183528.9530 -149048.5384 299.9416 -120.6878 -85.5994 555074.0566 16.1459 16.2548 PRESSURE: 2805200 -190.527 -86.7578 -295.802 -86.7597 125.038 -14.7711 -295.802 -14.7716 -102.229 GPRESSURE: 2805200 -172.709 -37.3486 -294.473 -142.809 200.003 -23.1807 -265.781 -1.05727 -104.927 PRESSAVG: 2805200 0.738349 4.22839 1.12617 4.22839 27.2609 9.56851 1.12619 9.56866 -31.0458 GPRESSAVG: 2805200 1.98051 2.57967 1.58569 4.64042 25.8261 11.6262 0.671074 10.016 -30.7802 TIMING: 2805200 CPU: 8365.43, 0.00303127/step Wall: 8365.43, 0.00303127/step, 1.84807 hours remaining, 207.679688 MB of memory in use. ENERGY: 2805200 744.4491 2094.5363 1937.0640 129.4148 -205687.5698 17662.1481 0.0000 0.0000 33983.6121 -149136.3454 296.7873 -183119.9575 -149040.0417 299.3917 -55.9061 -25.8774 557615.7472 -1.0155 -0.9912 PRESSURE: 2805400 -4.97401 -55.9171 80.1423 -55.9179 -27.3188 -43.467 80.1404 -43.4663 -13.594 GPRESSURE: 2805400 18.9871 -11.0174 104.712 -39.6709 -28.7098 -39.3654 161.918 -49.8935 53.9412 PRESSAVG: 2805400 47.5691 -66.6221 -52.1458 -66.622 -45.4768 5.42566 -52.1459 5.42557 -13.1031 GPRESSAVG: 2805400 47.5884 -65.205 -50.9356 -68.0986 -44.5284 4.50852 -50.9179 5.03623 -13.6011 TIMING: 2805400 CPU: 8366.03, 0.00302169/step Wall: 8366.03, 0.00302169/step, 1.84206 hours remaining, 207.679688 MB of memory in use. ENERGY: 2805400 747.4205 2134.4679 1925.6452 118.5331 -206363.2824 17883.4017 0.0000 0.0000 34350.9691 -149202.8448 299.9956 -183553.8139 -149103.6580 298.7861 -15.2956 14.7395 557114.4642 -3.6703 -3.5137 PRESSURE: 2805600 -239.784 74.3304 -48.3953 74.3294 -130.375 5.41768 -48.3938 5.41646 -141.086 GPRESSURE: 2805600 -219.83 23.1543 0.354474 -9.28137 -88.3209 -14.0579 -21.0136 107.013 -104.514 PRESSAVG: 2805600 35.5228 7.53 11.3367 7.52996 -54.5037 -11.2757 11.3367 -11.2758 -9.88571 GPRESSAVG: 2805600 35.0366 7.52782 10.929 8.37862 -55.0678 -11.63 12.4371 -10.7901 -9.21115 TIMING: 2805600 CPU: 8366.64, 0.00304338/step Wall: 8366.64, 0.00304338/step, 1.85511 hours remaining, 207.679688 MB of memory in use. ENERGY: 2805600 738.0830 2151.1337 1923.9880 105.7708 -205583.7854 17453.3596 0.0000 0.0000 34013.3635 -149198.0868 297.0472 -183211.4503 -149109.0148 299.3220 -170.4151 -137.5551 557591.9956 -9.6222 -9.7474 PRESSURE: 2805800 -158.674 -130.359 78.4848 -130.358 -36.443 9.81879 78.4841 9.81999 -111.635 GPRESSURE: 2805800 -122.192 -210.321 170.385 -151.631 -60.2216 13.6009 30.2702 99.1473 -38.9726 PRESSAVG: 2805800 -26.7502 -50.2333 -3.11268 -50.2333 31.3732 103.354 -3.11264 103.354 22.946 GPRESSAVG: 2805800 -26.4942 -50.7482 -2.76711 -49.0012 31.3007 102.762 -5.23649 104.601 22.4042 TIMING: 2805800 CPU: 8367.25, 0.00304895/step Wall: 8367.25, 0.00304895/step, 1.85833 hours remaining, 207.679688 MB of memory in use. ENERGY: 2805800 730.2885 2117.5793 1936.0428 114.5748 -206281.4573 17799.3363 0.0000 0.0000 34102.6833 -149480.9523 297.8272 -183583.6356 -149386.4393 299.0469 -102.2505 -73.7953 556473.9453 9.1897 9.0703 PRESSURE: 2806000 98.1774 -87.4191 -195.213 -87.418 -73.4039 -12.9703 -195.214 -12.9714 66.1508 GPRESSURE: 2806000 94.5843 -3.45601 -219.619 -85.7037 -0.919444 -4.25151 -235.162 5.98073 93.7849 PRESSAVG: 2806000 75.4871 -12.3255 -8.98247 -12.3254 -19.6303 -18.1646 -8.9825 -18.1645 -85.3892 GPRESSAVG: 2806000 74.9936 -11.9444 -8.86081 -11.8364 -20.2616 -18.3012 -10.2265 -19.4661 -85.0058 TIMING: 2806000 CPU: 8367.86, 0.00303347/step Wall: 8367.86, 0.00303347/step, 1.84873 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: 2806000 722.3918 2101.3392 1938.0838 110.8936 -206004.4159 17726.4792 0.0000 0.0000 34097.3186 -149307.9098 297.7804 -183405.2284 -149215.4120 297.8548 30.3081 62.4833 556336.7603 -9.8441 -10.0913 PRESSURE: 2806200 -135.563 69.8768 -42.9226 69.8759 201.678 74.7994 -42.9224 74.7996 -198.389 GPRESSURE: 2806200 -69.9319 26.8399 39.3417 97.4871 198.999 20.2981 -87.9686 98.7959 -160.738 PRESSAVG: 2806200 -20.6449 4.92652 8.48606 4.9265 29.592 -19.8939 8.48606 -19.894 -16.5704 GPRESSAVG: 2806200 -20.9492 2.87606 8.68049 4.82322 30.466 -19.6299 9.92119 -20.8289 -16.7589 TIMING: 2806200 CPU: 8368.46, 0.00303767/step Wall: 8368.46, 0.00303767/step, 1.85112 hours remaining, 207.679688 MB of memory in use. ENERGY: 2806200 766.8941 2123.8257 1928.5637 126.1653 -206304.5215 17698.9538 0.0000 0.0000 34276.1300 -149383.9888 299.3420 -183660.1189 -149291.5929 298.7531 -44.0917 -10.5570 556048.6414 -2.5411 -2.4140 PRESSURE: 2806400 -159.273 -134.448 -18.7218 -134.446 52.8296 13.5153 -18.7215 13.5157 66.9999 GPRESSURE: 2806400 -129.203 -44.4272 8.04589 -149.628 65.7113 -3.8011 -79.3265 27.566 117.925 PRESSAVG: 2806400 -5.03412 6.54385 22.34 6.54383 24.1599 -25.1376 22.34 -25.1376 -18.1841 GPRESSAVG: 2806400 -5.88634 9.49028 22.0228 3.57098 23.7388 -23.946 22.2095 -25.2429 -16.9487 TIMING: 2806400 CPU: 8369.07, 0.0030406/step Wall: 8369.07, 0.0030406/step, 1.85274 hours remaining, 207.679688 MB of memory in use. ENERGY: 2806400 732.4771 2067.6740 1952.9439 119.1398 -206140.9582 17662.5374 0.0000 0.0000 34289.1679 -149317.0183 299.4558 -183606.1861 -149225.2339 299.5618 -13.1480 18.1446 554338.7824 0.3139 0.3012 PRESSURE: 2806600 70.2307 82.0174 -32.7011 82.0156 -31.2482 -55.0661 -32.7015 -55.0654 -355.058 GPRESSURE: 2806600 59.5054 16.0179 -32.5417 112.308 35.6399 -49.6099 42.1695 -102.74 -300.762 PRESSAVG: 2806600 11.9775 -42.4708 -12.8929 -42.4709 9.68446 -46.3373 -12.8929 -46.3373 -18.9472 GPRESSAVG: 2806600 12.5579 -42.2547 -13.9096 -40.7143 10.764 -45.7934 -13.5268 -44.3668 -20.4849 TIMING: 2806600 CPU: 8369.68, 0.00303107/step Wall: 8369.68, 0.00303107/step, 1.84677 hours remaining, 207.679688 MB of memory in use. ENERGY: 2806600 767.3924 2095.5819 1924.9060 119.5331 -206126.9661 17646.5766 0.0000 0.0000 34213.7803 -149359.1958 298.7975 -183572.9761 -149260.5060 299.5735 -105.3584 -68.5389 555182.8148 0.9049 0.9456 PRESSURE: 2806800 -7.64244 76.4955 10.3497 76.4955 100.953 1.44084 10.3499 1.44045 -66.1131 GPRESSURE: 2806800 -37.0771 50.316 35.2542 93.3683 173.578 -16.2699 -69.4603 84.0959 -17.4482 PRESSAVG: 2806800 -0.358057 36.9775 -11.1793 36.9775 -64.8248 -4.25399 -11.1793 -4.25401 50.4633 GPRESSAVG: 2806800 0.220158 35.5901 -10.0369 37.1383 -65.4607 -5.06462 -13.0757 -5.62339 50.6775 TIMING: 2806800 CPU: 8370.28, 0.00302412/step Wall: 8370.28, 0.00302412/step, 1.84236 hours remaining, 207.679688 MB of memory in use. ENERGY: 2806800 726.7606 2048.0439 1931.0678 102.1571 -205943.6729 17620.4708 0.0000 0.0000 34251.1470 -149264.0257 299.1238 -183515.1727 -149160.2927 298.8047 9.0659 39.6844 557220.3264 -4.9065 -4.8543 PRESSURE: 2807000 -206.869 34.4625 -51.4629 34.4623 45.1142 135.667 -51.4619 135.666 -39.2527 GPRESSURE: 2807000 -134.062 32.6174 12.9946 39.8981 61.4452 262.733 -62.9143 87.4904 -30.9007 PRESSAVG: 2807000 -15.1663 9.04874 -30.589 9.0487 -37.0186 52.9537 -30.5888 52.9537 34.2794 GPRESSAVG: 2807000 -15.4783 10.2424 -31.6934 8.63063 -37.3783 52.6024 -27.3671 53.5681 35.3956 TIMING: 2807000 CPU: 8370.89, 0.00302765/step Wall: 8370.89, 0.00302765/step, 1.84434 hours remaining, 207.679688 MB of memory in use. ENERGY: 2807000 733.5211 2104.7574 1947.7654 116.7974 -205802.7124 17637.5060 0.0000 0.0000 34080.7602 -149181.6050 297.6358 -183262.3651 -149087.1601 299.0018 -67.0024 -34.5059 557749.9830 -5.9685 -5.8203 PRESSURE: 2807200 -122.446 -127.612 77.048 -127.612 -282.873 27.2141 77.047 27.2155 -77.848 GPRESSURE: 2807200 -142.873 -155.802 48.1171 -98.076 -175.712 -16.5868 64.0187 45.4947 -70.0369 PRESSAVG: 2807200 -16.9305 -2.58011 -28.6488 -2.58001 31.8264 47.0255 -28.6487 47.0256 7.44934 GPRESSAVG: 2807200 -16.5086 -2.64892 -27.0353 -0.859373 32.2647 48.9507 -30.9377 45.6493 6.40212 TIMING: 2807200 CPU: 8371.49, 0.00300987/step Wall: 8371.49, 0.00300987/step, 1.83334 hours remaining, 207.679688 MB of memory in use. ENERGY: 2807200 736.2229 2065.1745 1917.5667 127.0446 -205638.7114 17436.5471 0.0000 0.0000 34173.8829 -149182.2727 298.4490 -183356.1557 -149086.7316 299.2406 -161.0559 -129.5405 558245.8140 7.4484 7.3861 PRESSURE: 2807400 -29.2563 68.6657 11.9293 68.6649 -79.4048 -88.6263 11.9309 -88.6268 -56.3192 GPRESSURE: 2807400 -64.5237 75.2716 64.4373 88.0678 -19.7589 -76.0144 -49.96 -111.764 17.3198 PRESSAVG: 2807400 -22.9902 -5.50258 25.5258 -5.50259 -0.952606 -6.46435 25.5258 -6.46436 -27.5918 GPRESSAVG: 2807400 -23.3442 -6.22662 24.2505 -7.34755 -0.913361 -8.70285 26.2163 -5.55597 -27.5675 TIMING: 2807400 CPU: 8372.09, 0.00297574/step Wall: 8372.09, 0.00297574/step, 1.81239 hours remaining, 207.679688 MB of memory in use. ENERGY: 2807400 736.2082 2085.4556 1926.2916 118.3090 -206203.2019 17770.2607 0.0000 0.0000 34143.1253 -149423.5515 298.1804 -183566.6769 -149317.5163 298.3594 -54.9934 -22.3210 557602.0965 -17.1782 -17.2750 PRESSURE: 2807600 185.948 -52.504 -47.8167 -52.5045 162.845 80.5091 -47.8171 80.508 -129.683 GPRESSURE: 2807600 167.923 -84.2411 -73.5885 -30.3774 219.285 150.508 31.0884 106.618 -66.0096 PRESSAVG: 2807600 -44.755 6.15912 -25.8592 6.15905 57.0861 -46.71 -25.8592 -46.71 -13.45 GPRESSAVG: 2807600 -44.8561 6.45864 -24.8927 6.78067 56.7868 -45.4979 -23.0359 -45.9879 -13.2223 TIMING: 2807600 CPU: 8372.68, 0.00296871/step Wall: 8372.68, 0.00296871/step, 1.80794 hours remaining, 207.679688 MB of memory in use. ENERGY: 2807600 717.1984 2106.6255 1940.5270 120.3641 -206414.8241 18023.7041 0.0000 0.0000 34219.7474 -149286.6576 298.8496 -183506.4050 -149194.9410 298.7893 73.0367 107.0660 557196.9146 -0.3730 -0.4305 PRESSURE: 2807800 41.8771 -41.3236 93.6318 -41.3233 1.79234 135.97 93.6316 135.972 -51.9305 GPRESSURE: 2807800 66.2375 65.1544 48.4618 -88.311 7.00303 100.596 28.8312 234.321 7.67288 PRESSAVG: 2807800 37.8466 -47.7957 -31.8941 -47.7957 19.8242 -3.51328 -31.8942 -3.51322 -55.975 GPRESSAVG: 2807800 37.0998 -47.6792 -35.0788 -48.0778 21.0357 -2.39838 -32.5907 -5.63274 -56.1988 TIMING: 2807800 CPU: 8373.28, 0.00298796/step Wall: 8373.28, 0.00298796/step, 1.8195 hours remaining, 207.679688 MB of memory in use. ENERGY: 2807800 712.1405 2106.1225 1950.7076 115.3897 -206264.2781 17906.0185 0.0000 0.0000 34276.8289 -149197.0703 299.3481 -183473.8992 -149102.0448 298.8208 -2.7537 26.9711 557723.5363 0.5653 0.6456 PRESSURE: 2808000 -104.285 92.9674 -47.7461 92.968 16.7506 -37.0829 -47.7456 -37.0807 132.594 GPRESSURE: 2808000 -91.8537 38.3218 -11.4893 95.7648 53.7833 30.3671 -131.517 -43.759 170.635 PRESSAVG: 2808000 -61.7504 21.5921 -32.5782 21.5922 57.7592 -24.5857 -32.5783 -24.5857 51.4246 GPRESSAVG: 2808000 -60.4729 20.4721 -29.3751 23.5031 56.2103 -25.3297 -34.7326 -22.7037 51.5137 TIMING: 2808000 CPU: 8373.87, 0.00298425/step Wall: 8373.87, 0.00298424/step, 1.81707 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: 2808000 737.6302 2040.8769 1936.6567 113.0142 -206054.2470 17823.6050 0.0000 0.0000 34200.3917 -149202.0723 298.6805 -183402.4640 -149097.7007 298.8948 15.0199 44.1881 558519.8028 15.8111 15.7504 PRESSURE: 2808200 158.862 -281.687 -136.175 -281.689 75.4561 -76.0929 -136.175 -76.0907 103.452 GPRESSURE: 2808200 202.601 -239.043 -85.8129 -250.788 88.5012 -13.1538 -144.756 -45.9383 148.708 PRESSAVG: 2808200 -8.2572 -64.4752 -38.0596 -64.4752 62.3443 19.0579 -38.0596 19.0581 -21.381 GPRESSAVG: 2808200 -8.56597 -62.5413 -38.305 -66.9001 62.8638 18.8222 -37.7779 18.8771 -21.5635 TIMING: 2808200 CPU: 8374.47, 0.00298468/step Wall: 8374.47, 0.00298468/step, 1.81717 hours remaining, 207.679688 MB of memory in use. ENERGY: 2808200 748.9184 2098.6852 1940.6772 118.9378 -206478.8046 18184.0151 0.0000 0.0000 34298.3808 -149089.1901 299.5363 -183387.5709 -148986.7261 299.6859 112.5903 146.6037 557806.8228 10.9020 10.9114 LDB: ============= START OF LOAD BALANCING ============== 8377.9 LDB: ============== END OF LOAD BALANCING =============== 8377.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8377.9 LDB: ============= START OF LOAD BALANCING ============== 8378.2 LDB: Largest compute 4821 load 0.028489 is 24.2% of average load 0.117900 LDB: Average compute 0.001759 is 1.5% of average load 0.117900 LDB: TIME 8378.2 LOAD: AVG 0.1179 MAX 0.203293 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.676 MB LDB: TIME 8378.21 LOAD: AVG 0.1179 MAX 0.203293 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.676 MB LDB: TIME 8378.21 LOAD: AVG 0.1179 MAX 0.203293 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.676 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8378.21 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8378.21 PRESSURE: 2808400 -220.292 69.5023 -95.2412 69.5008 -154.693 52.4528 -95.2406 52.4528 99.0856 GPRESSURE: 2808400 -151.84 51.8437 -66.2738 98.7069 -133.498 39.6354 -9.89117 41.8836 102.29 PRESSAVG: 2808400 -26.5566 -33.6819 21.6166 -33.6819 6.37997 -8.27741 21.6166 -8.27739 48.4021 GPRESSAVG: 2808400 -27.288 -35.9318 21.7575 -30.2369 6.71221 -9.60839 20.4056 -8.06382 48.5357 TIMING: 2808400 CPU: 8375.08, 0.00305346/step Wall: 8375.08, 0.00305346/step, 1.85888 hours remaining, 205.429688 MB of memory in use. ENERGY: 2808400 736.4891 2091.7077 1961.8815 116.6378 -205856.9706 17657.5032 0.0000 0.0000 34341.4244 -148951.3271 299.9122 -183292.7514 -148858.2014 299.2828 -91.9664 -61.0160 558229.0422 9.4085 9.3200 PRESSURE: 2808600 34.8469 -77.4149 160.691 -77.4141 -197.106 40.784 160.691 40.7839 -56.9163 GPRESSURE: 2808600 79.8744 -32.616 131.538 -80.9862 -154.779 45.3214 126.849 16.7455 -34.9539 PRESSAVG: 2808600 -11.2045 -0.764433 -0.868238 -0.764415 -21.0174 -20.54 -0.868254 -20.54 50.0717 GPRESSAVG: 2808600 -11.7427 0.0300715 -1.75303 -2.43077 -19.6592 -20.0468 1.04665 -22.7448 49.0067 TIMING: 2808600 CPU: 8375.69, 0.00304569/step Wall: 8375.69, 0.00304569/step, 1.85398 hours remaining, 205.429688 MB of memory in use. ENERGY: 2808600 751.0193 2085.7336 1969.3657 108.2562 -205808.4525 17688.1909 0.0000 0.0000 34337.7455 -148868.1413 299.8801 -183205.8868 -148771.5678 299.6302 -73.0585 -36.6196 558000.7211 5.9499 5.8682 PRESSURE: 2808800 -56.7278 29.6302 -15.5699 29.63 44.4214 -9.94342 -15.5694 -9.94288 1.84132 GPRESSURE: 2808800 -53.2349 -8.55584 54.3854 144.857 57.1809 90.1041 -79.6183 -111.935 88.7632 PRESSAVG: 2808800 6.02197 -1.32207 37.6349 -1.32213 18.9734 19.2612 37.6349 19.2611 -55.0989 GPRESSAVG: 2808800 5.982 -1.4961 37.3476 -0.0266848 18.6371 20.4977 35.4968 19.4358 -55.2625 TIMING: 2808800 CPU: 8376.3, 0.00304926/step Wall: 8376.3, 0.00304926/step, 1.85599 hours remaining, 205.550781 MB of memory in use. ENERGY: 2808800 748.5365 2119.4053 1935.5518 111.2845 -205834.6617 17792.8915 0.0000 0.0000 34448.9241 -148678.0680 300.8510 -183126.9921 -148579.6375 300.3652 -3.4884 30.9031 557281.6421 -10.0345 -10.2145 PRESSURE: 2809000 -105.568 72.9592 86.176 72.9593 -351.152 -59.8453 86.1781 -59.8443 -74.7869 GPRESSURE: 2809000 -52.3729 187.119 6.56581 64.3483 -333.055 -90.098 85.2309 24.4035 -57.3008 PRESSAVG: 2809000 -42.5687 -23.9697 29.1855 -23.9698 38.4223 -2.80934 29.1856 -2.80934 6.67361 GPRESSAVG: 2809000 -43.3592 -22.2659 27.6009 -25.7795 37.3573 -3.4636 31.7745 -1.18088 8.33497 TIMING: 2809000 CPU: 8376.9, 0.00301107/step Wall: 8376.9, 0.00301107/step, 1.83257 hours remaining, 205.550781 MB of memory in use. ENERGY: 2809000 755.6389 2086.1082 1959.2448 114.8753 -205403.7982 17449.9140 0.0000 0.0000 34408.4123 -148629.6047 300.4972 -183038.0170 -148532.6665 300.8263 -177.1691 -147.5762 559134.3221 0.8424 0.7777 PRESSURE: 2809200 89.6948 89.9136 -83.2407 89.9136 296.176 253.648 -83.2407 253.649 418.111 GPRESSURE: 2809200 102.476 80.9967 -78.3586 126.523 307.334 325.564 -55.2126 148.794 479.464 PRESSAVG: 2809200 -63.172 -15.7137 -17.028 -15.7138 -36.8008 37.8514 -17.028 37.8515 48.3465 GPRESSAVG: 2809200 -62.2144 -14.7365 -14.7619 -15.6623 -37.0131 38.3876 -16.9438 38.544 47.8198 TIMING: 2809200 CPU: 8377.5, 0.003007/step Wall: 8377.5, 0.003007/step, 1.82993 hours remaining, 205.550781 MB of memory in use. ENERGY: 2809200 735.0728 2154.3744 1926.8530 113.4633 -206485.7101 18260.8295 0.0000 0.0000 34501.4048 -148793.7122 301.3093 -183295.1171 -148706.0779 300.4893 267.9937 296.4248 557850.0305 -17.2088 -17.1359 PRESSURE: 2809400 10.8719 -57.2445 4.47226 -57.2454 -27.3017 113.467 4.47148 113.466 143.185 GPRESSURE: 2809400 -48.2269 18.4842 49.879 -114.179 48.7126 92.948 -17.171 139.841 223.018 PRESSAVG: 2809400 17.6004 -33.1682 6.81799 -33.1682 -39.011 8.08875 6.81805 8.08872 -43.4351 GPRESSAVG: 2809400 16.702 -35.3715 6.07894 -31.3579 -37.8116 6.62598 7.1308 8.04751 -43.7317 TIMING: 2809400 CPU: 8378.11, 0.00302543/step Wall: 8378.11, 0.00302543/step, 1.84098 hours remaining, 205.550781 MB of memory in use. ENERGY: 2809400 730.6989 2024.6078 1953.1240 115.8345 -205896.8370 17841.8128 0.0000 0.0000 34392.7924 -148837.9665 300.3608 -183230.7589 -148736.1773 300.7871 42.2517 74.5014 557446.8276 -21.6152 -21.6138 PRESSURE: 2809600 -143.806 -101.211 17.0117 -101.212 -45.7054 58.7669 17.0105 58.7676 -49.7913 GPRESSURE: 2809600 -129.108 -111.29 -11.4608 -59.3055 49.6189 111.551 -34.7604 -31.5588 -57.9091 PRESSAVG: 2809600 18.3035 1.56027 18.1233 1.56019 -23.1308 40.0984 18.1233 40.0983 -34.9007 GPRESSAVG: 2809600 19.8171 2.43934 18.6744 1.53947 -25.0442 40.8005 16.7132 37.9689 -35.0013 TIMING: 2809600 CPU: 8378.71, 0.00298975/step Wall: 8378.71, 0.00298975/step, 1.81909 hours remaining, 205.550781 MB of memory in use. ENERGY: 2809600 769.9687 2071.3535 1956.4311 109.5662 -205762.4457 17736.3227 0.0000 0.0000 34478.5482 -148640.2553 301.1097 -183118.8035 -148544.6399 300.3085 -79.7676 -45.7994 559237.7536 -13.2427 -13.4095 PRESSURE: 2809800 -5.54071 -1.22734 -205.776 -1.22709 20.7981 -36.5379 -205.776 -36.539 70.0207 GPRESSURE: 2809800 8.40832 1.3825 -232.193 -72.898 99.1915 44.0955 -166.075 -142.375 88.1427 PRESSAVG: 2809800 -8.78811 15.7395 -18.0047 15.7395 27.9138 18.8755 -18.0048 18.8755 -27.5652 GPRESSAVG: 2809800 -9.60588 15.413 -18.4733 12.9157 29.4139 18.6564 -16.5568 20.6642 -28.0487 TIMING: 2809800 CPU: 8379.3, 0.00296182/step Wall: 8379.3, 0.00296182/step, 1.80194 hours remaining, 205.550781 MB of memory in use. ENERGY: 2809800 744.2568 2067.5918 1982.7450 114.1856 -205995.6110 17801.4871 0.0000 0.0000 34441.7947 -148843.5500 300.7888 -183285.3446 -148745.3984 300.4491 28.4260 65.2475 557960.3371 -2.8132 -2.7469 PRESSURE: 2810000 17.5565 -18.5398 -80.5723 -18.5391 -150.593 -57.0184 -80.571 -57.0202 282.113 GPRESSURE: 2810000 51.2561 19.154 -113.14 103.938 -103.155 -53.0319 -90.6956 -82.0702 290.887 PRESSAVG: 2810000 -8.81963 15.631 -60.6239 15.631 10.4108 -29.5245 -60.6239 -29.5246 51.9449 GPRESSAVG: 2810000 -8.99305 16.2331 -60.2804 15.4932 9.46567 -29.6548 -62.7014 -29.9136 53.0969 TIMING: 2810000 CPU: 8379.9, 0.00299059/step Wall: 8379.9, 0.00299059/step, 1.81928 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: 2810000 759.2310 2084.9022 1939.3732 123.2415 -205966.4405 17902.8037 0.0000 0.0000 34322.8335 -148834.0553 299.7498 -183156.8889 -148739.1109 299.8691 49.6923 79.6626 558984.5363 17.8454 17.8565 PRESSURE: 2810200 -148.505 -118.472 -0.412832 -118.474 269.161 -53.4742 -0.412074 -53.4737 -58.071 GPRESSURE: 2810200 -113.142 -87.5471 57.4462 -73.8078 248.375 -37.3078 -9.46664 -47.4677 21.484 PRESSAVG: 2810200 -50.2655 -4.06014 -40.244 -4.06015 11.156 -65.8104 -40.2439 -65.8104 21.3109 GPRESSAVG: 2810200 -49.6247 -4.63132 -42.9918 -0.602281 11.3346 -64.6104 -39.1766 -64.84 20.5513 TIMING: 2810200 CPU: 8380.5, 0.0030058/step Wall: 8380.5, 0.0030058/step, 1.82836 hours remaining, 205.550781 MB of memory in use. ENERGY: 2810200 759.1546 2030.8680 1959.0233 103.9992 -205814.2679 17817.0639 0.0000 0.0000 34265.0735 -148879.0854 299.2454 -183144.1589 -148777.7000 300.3030 20.8615 52.2390 558449.6188 -5.9329 -5.9130 PRESSURE: 2810400 -16.4303 64.5483 -35.0209 64.5479 -131.229 41.3997 -35.0222 41.3985 -6.4522 GPRESSURE: 2810400 -18.8565 101.043 -48.7825 112.119 -82.072 -11.4322 3.91147 113.162 46.1144 PRESSAVG: 2810400 -77.4043 49.1513 34.2729 49.1513 13.8768 10.1611 34.2729 10.1612 36.9438 GPRESSAVG: 2810400 -76.7154 49.2755 36.7299 47.2378 14.6151 9.85173 35.5104 10.9465 36.224 TIMING: 2810400 CPU: 8381.1, 0.00298759/step Wall: 8381.1, 0.00298759/step, 1.81712 hours remaining, 205.550781 MB of memory in use. ENERGY: 2810400 767.8687 2048.7596 1973.3692 109.3875 -205873.1108 17719.8818 0.0000 0.0000 34274.8516 -148978.9925 299.3308 -183253.8441 -148885.3545 299.9465 -51.3704 -18.2714 559340.8806 -8.8613 -8.6254 PRESSURE: 2810600 -244.526 24.6332 44.7948 24.6338 -37.2492 -1.34808 44.7948 -1.34582 61.4817 GPRESSURE: 2810600 -215.438 -17.2257 -36.34 6.97825 -3.36826 -32.2551 105.72 34.4741 109.987 PRESSAVG: 2810600 -22.5766 25.8787 76.5448 25.8787 -30.7306 -15.4765 76.5447 -15.4764 52.1405 GPRESSAVG: 2810600 -23.1239 24.6346 73.7753 25.878 -30.9044 -14.63 76.3097 -18.2838 52.7475 TIMING: 2810600 CPU: 8381.7, 0.00299573/step Wall: 8381.7, 0.00299573/step, 1.8219 hours remaining, 205.550781 MB of memory in use. ENERGY: 2810600 770.6971 2052.4987 1962.2971 104.9618 -206161.2889 17808.9418 0.0000 0.0000 34450.9681 -149010.9242 300.8689 -183461.8923 -148920.6698 299.3281 -73.4310 -36.2731 559040.4783 -0.3889 -0.4269 PRESSURE: 2810800 -52.9188 135.655 -74.5178 135.654 100.497 -5.35666 -74.518 -5.35741 23.5967 GPRESSURE: 2810800 -5.00799 171.169 -155.727 210.3 106.488 19.3589 -38.2533 64.1632 62.0489 PRESSAVG: 2810800 -17.3628 -20.3524 59.2558 -20.3523 67.6007 -35.9391 59.2557 -35.9392 -40.6317 GPRESSAVG: 2810800 -17.1437 -18.3262 62.3437 -20.2584 66.4955 -36.8623 57.2634 -33.523 -40.1923 TIMING: 2810800 CPU: 8382.3, 0.003/step Wall: 8382.3, 0.003/step, 1.82433 hours remaining, 205.550781 MB of memory in use. ENERGY: 2810800 733.9786 2044.6602 1944.5588 101.4041 -205879.9787 17796.8633 0.0000 0.0000 34120.1701 -149138.3436 297.9799 -183258.5137 -149039.4010 299.2446 23.7251 54.5095 558940.1445 3.2021 3.0531 PRESSURE: 2811000 -130.881 145.318 64.4355 145.318 -269.913 -66.1678 64.4354 -66.1682 79.2612 GPRESSURE: 2811000 -90.9571 211.977 32.5319 149.589 -215.406 -122.589 62.2251 -32.7943 85.7624 PRESSAVG: 2811000 29.7785 18.0235 30.0449 18.0235 0.190609 17.1754 30.0449 17.1753 -2.44571 GPRESSAVG: 2811000 28.851 16.5231 29.1215 19.4891 0.897103 15.7931 31.6951 17.8176 -2.93009 TIMING: 2811000 CPU: 8382.9, 0.00301505/step Wall: 8382.9, 0.00301505/step, 1.83332 hours remaining, 205.550781 MB of memory in use. ENERGY: 2811000 766.9596 2052.9674 1960.5389 114.4891 -205951.4477 17631.6152 0.0000 0.0000 34305.6531 -149119.2243 299.5998 -183424.8775 -149020.8590 299.5692 -107.1776 -73.5336 559454.3197 9.1745 8.9393 PRESSURE: 2811200 -199.842 -54.0927 133.046 -54.0925 -114.634 218.997 133.046 218.997 -297.122 GPRESSURE: 2811200 -144.018 -24.9009 150.402 -64.1404 -135.749 243.014 150.351 259.728 -231.34 PRESSAVG: 2811200 1.3521 -21.5001 10.7246 -21.5 25.8767 31.7521 10.7245 31.7521 -40.5488 GPRESSAVG: 2811200 2.11272 -20.4459 9.64068 -22.6828 24.9072 32.8141 10.0113 30.3294 -39.705 TIMING: 2811200 CPU: 8383.5, 0.00301899/step Wall: 8383.5, 0.00301899/step, 1.83555 hours remaining, 205.550781 MB of memory in use. ENERGY: 2811200 744.7176 2039.5288 1962.3521 120.4688 -206024.6239 17667.2857 0.0000 0.0000 34475.6499 -149014.6211 301.0844 -183490.2710 -148919.2034 299.2946 -203.8657 -170.3689 557293.3826 -4.4400 -4.2283 PRESSURE: 2811400 35.9526 106.018 77.7985 106.018 -9.20068 -43.31 77.7992 -43.3112 -48.64 GPRESSURE: 2811400 72.6239 142.675 122.262 116.566 4.46974 -10.6733 9.33133 -55.6699 -0.367259 PRESSAVG: 2811400 -20.8946 46.0187 29.389 46.0187 65.9698 41.8612 29.3889 41.861 -14.8537 GPRESSAVG: 2811400 -20.7818 44.7988 29.6036 43.9219 66.4939 42.9056 29.6423 38.9902 -15.7011 TIMING: 2811400 CPU: 8384.11, 0.00301882/step Wall: 8384.11, 0.00301882/step, 1.83527 hours remaining, 205.550781 MB of memory in use. ENERGY: 2811400 732.1906 2079.1013 1947.6804 108.4338 -206188.4761 17850.2768 0.0000 0.0000 34452.1386 -149018.6546 300.8791 -183470.7932 -148926.7452 299.9153 -7.2960 25.5755 556320.0706 10.0739 10.0037 PRESSURE: 2811600 49.2835 -0.313831 58.1608 -0.314574 -99.2618 -36.2704 58.1609 -36.2703 310.752 GPRESSURE: 2811600 120.691 -20.5007 64.6886 26.7822 -68.7075 -48.5646 113.199 1.14185 307.037 PRESSAVG: 2811600 25.3964 20.1407 -33.6067 20.1407 47.4726 -13.1689 -33.6067 -13.1689 -10.92 GPRESSAVG: 2811600 25.652 19.6498 -32.8319 23.3234 47.8926 -15.8494 -32.53 -10.1419 -11.6921 TIMING: 2811600 CPU: 8384.71, 0.00299777/step Wall: 8384.71, 0.00299777/step, 1.82231 hours remaining, 205.550781 MB of memory in use. ENERGY: 2811600 717.6695 2053.8681 1946.1041 117.0217 -205606.9486 17695.6906 0.0000 0.0000 34171.8757 -148904.7190 298.4315 -183076.5946 -148809.2622 299.8827 86.9247 119.6737 556731.6871 20.6496 20.6175 PRESSURE: 2811800 -124.371 54.81 -34.5639 54.8104 -160.929 109.098 -34.5634 109.097 -542.189 GPRESSURE: 2811800 -100.899 76.751 -116.43 132.659 -127.243 127.526 103.851 105.618 -500.844 PRESSAVG: 2811800 -10.8229 -0.0281122 -23.6673 -0.0281875 29.7866 38.8317 -23.6673 38.8319 -14.401 GPRESSAVG: 2811800 -10.8158 2.76275 -23.713 -3.78825 29.3078 41.3633 -24.0876 39.7216 -13.5791 TIMING: 2811800 CPU: 8385.31, 0.00301831/step Wall: 8385.31, 0.00301831/step, 1.83463 hours remaining, 205.550781 MB of memory in use. ENERGY: 2811800 767.5089 2085.4031 1953.5833 118.9980 -205753.0669 17507.0362 0.0000 0.0000 34365.0247 -148955.5127 300.1183 -183320.5374 -148858.0900 300.4174 -275.8295 -242.9952 557493.6444 1.5209 1.6376 PRESSURE: 2812000 -239.015 29.4112 -237.341 29.4105 -166.232 -72.8051 -237.341 -72.8062 82.3979 GPRESSURE: 2812000 -134.368 21.4972 -222.401 43.1958 -149.858 -60.0113 -160.605 -153.449 57.0812 PRESSAVG: 2812000 -13.7554 -21.4236 -29.7968 -21.4236 13.0936 48.9271 -29.7967 48.9269 14.3039 GPRESSAVG: 2812000 -14.3332 -24.3238 -28.207 -17.1644 13.6634 47.5682 -30.3002 49.5529 14.1986 TIMING: 2812000 CPU: 8385.91, 0.00301842/step Wall: 8385.91, 0.00301842/step, 1.83453 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: 2812000 722.8182 2130.0444 1995.7029 112.9291 -205737.6145 17590.9592 0.0000 0.0000 34317.9874 -148867.1733 299.7075 -183185.1608 -148763.9358 300.3775 -107.6161 -75.7147 558717.9299 4.5473 4.5096 PRESSURE: 2812200 11.3321 102.345 -12.7726 102.346 414.371 -84.5025 -12.7722 -84.5022 25.9032 GPRESSURE: 2812200 45.6747 86.8623 -17.7514 53.6615 392.578 -93.2095 50.5745 -107.315 95.246 PRESSAVG: 2812200 -38.4529 21.1013 -22.2776 21.1013 7.65413 28.1176 -22.2777 28.1175 47.375 GPRESSAVG: 2812200 -37.5434 22.2009 -24.38 20.0309 7.76777 28.4105 -23.9271 26.9597 45.9433 TIMING: 2812200 CPU: 8386.52, 0.00302372/step Wall: 8386.52, 0.00302372/step, 1.83758 hours remaining, 205.550781 MB of memory in use. ENERGY: 2812200 732.0577 2037.0583 1964.0673 109.8454 -206112.5145 17954.7234 0.0000 0.0000 34370.2703 -148944.4920 300.1641 -183314.7624 -148847.1489 299.7575 150.5353 177.8328 557555.6702 5.5254 5.3892 LDB: ============= START OF LOAD BALANCING ============== 8389.95 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8389.95 LDB: =============== DONE WITH MIGRATION ================ 8389.95 LDB: ============= START OF LOAD BALANCING ============== 8390.25 LDB: Largest compute 4821 load 0.028613 is 24.3% of average load 0.117942 LDB: Average compute 0.001751 is 1.5% of average load 0.117942 LDB: TIME 8390.26 LOAD: AVG 0.117942 MAX 0.206198 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 8390.26 LOAD: AVG 0.117942 MAX 0.206198 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.141 MB LDB: TIME 8390.26 LOAD: AVG 0.117942 MAX 0.206198 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8390.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8390.26 PRESSURE: 2812400 -261.848 -100.628 70.7299 -100.628 -342.067 108.331 70.7305 108.329 -31.5042 GPRESSURE: 2812400 -205.641 -131.136 101.001 -23.0585 -322.493 235.489 67.1621 34.7331 -2.38191 PRESSAVG: 2812400 31.3408 -14.7707 -15.8982 -14.7708 -27.1798 -0.471129 -15.8982 -0.471079 -17.6325 GPRESSAVG: 2812400 30.1846 -16.257 -16.4576 -14.1202 -27.4629 -1.59204 -13.615 -0.371202 -16.0978 TIMING: 2812400 CPU: 8387.13, 0.00308293/step Wall: 8387.13, 0.00308293/step, 1.87339 hours remaining, 206.195312 MB of memory in use. ENERGY: 2812400 762.6012 2047.9055 1952.3622 110.1243 -205721.3521 17477.3616 0.0000 0.0000 34390.1050 -148980.8922 300.3373 -183370.9972 -148884.2986 299.3562 -211.8062 -176.8386 558108.9333 -4.4905 -4.4587 PRESSURE: 2812600 -180.633 -34.3751 60.993 -34.375 -332.037 -18.167 60.993 -18.1677 -395.125 GPRESSURE: 2812600 -185.4 -26.7319 44.1047 -72.4289 -275.322 -20.6431 71.3527 47.3364 -342.531 PRESSAVG: 2812600 19.3739 -28.0184 -13.1505 -28.0184 4.45638 33.5508 -13.1505 33.5507 19.5991 GPRESSAVG: 2812600 19.2845 -26.3434 -11.0693 -29.491 4.64624 32.8885 -15.0921 33.8231 19.5441 TIMING: 2812600 CPU: 8387.74, 0.00302291/step Wall: 8387.74, 0.00302291/step, 1.83676 hours remaining, 206.195312 MB of memory in use. ENERGY: 2812600 706.7543 2092.6674 1957.6180 106.5027 -205597.5147 17270.3301 0.0000 0.0000 34396.6330 -149067.0090 300.3944 -183463.6421 -148976.3429 299.6651 -302.5981 -267.7510 558611.3306 14.4765 14.4916 PRESSURE: 2812800 -43.2001 -11.0818 -21.9468 -11.0815 -190.072 68.5954 -21.9477 68.5964 -15.945 GPRESSURE: 2812800 -33.2303 26.9928 13.6862 -10.8235 -165.768 73.6433 -93.5097 41.8654 51.7352 PRESSAVG: 2812800 8.03742 -15.2039 -21.8745 -15.204 7.1755 9.73041 -21.8745 9.7304 -58.5836 GPRESSAVG: 2812800 7.23377 -16.9716 -22.3515 -13.2729 7.7918 12.4047 -22.5668 8.8148 -58.1254 TIMING: 2812800 CPU: 8388.34, 0.0030156/step Wall: 8388.34, 0.0030156/step, 1.83214 hours remaining, 206.195312 MB of memory in use. ENERGY: 2812800 732.5236 2066.4006 1959.4640 107.2628 -206022.3684 17604.5516 0.0000 0.0000 34409.6936 -149142.4722 300.5084 -183552.1658 -149047.9801 299.8226 -83.0725 -49.0877 557143.1782 -14.4569 -14.3666 PRESSURE: 2813000 -195.073 7.70968 -10.4512 7.71028 -103.402 -19.6069 -10.4512 -19.6079 -274.943 GPRESSURE: 2813000 -161.47 -12.1996 -17.4594 96.3844 -78.0821 71.2033 -49.4677 -111.235 -234.996 PRESSAVG: 2813000 23.2021 -2.53073 -42.9123 -2.5307 -14.0696 -1.60265 -42.9124 -1.6026 -50.9929 GPRESSAVG: 2813000 23.7096 -1.8442 -42.2255 -3.31055 -14.7929 -2.95558 -43.3502 -0.873063 -51.5673 TIMING: 2813000 CPU: 8388.94, 0.00300133/step Wall: 8388.94, 0.00300133/step, 1.82331 hours remaining, 206.195312 MB of memory in use. ENERGY: 2813000 750.6474 2070.8578 1917.9913 120.7662 -205689.0376 17322.7429 0.0000 0.0000 34394.0732 -149111.9588 300.3720 -183506.0319 -149011.4397 299.3174 -191.1394 -158.1827 557254.0326 -13.9535 -14.2169 PRESSURE: 2813200 -159.727 96.2774 -50.6447 96.2775 -23.3897 47.457 -50.6446 47.4588 -199.567 GPRESSURE: 2813200 -181.361 33.3794 70.5565 156.521 77.0598 20.0168 -149.119 95.0854 -196.092 PRESSAVG: 2813200 -33.6734 -20.1149 -59.4644 -20.1148 10.3422 17.7119 -59.4643 17.7118 45.9486 GPRESSAVG: 2813200 -33.7293 -20.81 -59.9884 -19.9115 11.3196 19.2727 -59.2145 16.1522 44.877 TIMING: 2813200 CPU: 8389.54, 0.00300485/step Wall: 8389.54, 0.00300485/step, 1.82528 hours remaining, 206.195312 MB of memory in use. ENERGY: 2813200 800.1024 2052.7950 1934.5971 124.5367 -205978.8124 17569.0410 0.0000 0.0000 34345.9859 -149151.7543 299.9520 -183497.7402 -149053.5949 299.3237 -127.5613 -100.1311 557547.7001 7.5391 7.4891 PRESSURE: 2813400 -81.2072 -19.9701 -15.5579 -19.9702 -33.4155 -134.579 -15.5575 -134.579 30.2954 GPRESSURE: 2813400 -30.1012 64.5312 10.7082 -5.56961 -5.26896 -101.811 -56.2393 -74.1955 38.693 PRESSAVG: 2813400 -78.8486 31.437 -20.7517 31.4369 60.521 40.7635 -20.7518 40.7636 32.4076 GPRESSAVG: 2813400 -78.7336 32.9486 -22.2218 29.9936 59.5207 39.7792 -20.0422 42.7136 33.3235 TIMING: 2813400 CPU: 8390.15, 0.00303746/step Wall: 8390.15, 0.00303746/step, 1.84492 hours remaining, 206.195312 MB of memory in use. ENERGY: 2813400 777.0194 2094.6685 1918.9699 120.4914 -206230.4744 17601.5434 0.0000 0.0000 34282.0166 -149435.7652 299.3934 -183717.7819 -149332.3501 299.4018 -28.1091 1.1076 556152.8264 4.6933 4.7035 PRESSURE: 2813600 23.2818 -29.4975 -72.0521 -29.4974 -118.715 -133.332 -72.051 -133.332 64.9014 GPRESSURE: 2813600 24.4498 -39.8835 -44.0496 45.3651 -102.927 -85.1317 -60.8535 -138.279 152.483 PRESSAVG: 2813600 -67.9168 10.7368 -12.2025 10.7367 21.4963 4.73622 -12.2025 4.73629 21.5446 GPRESSAVG: 2813600 -67.287 10.142 -10.0214 10.6469 21.871 6.43448 -14.3814 4.70406 21.011 TIMING: 2813600 CPU: 8390.75, 0.0030182/step Wall: 8390.75, 0.0030182/step, 1.83305 hours remaining, 206.195312 MB of memory in use. ENERGY: 2813600 756.2832 2088.3001 1931.7671 124.8586 -206256.2955 17724.5561 0.0000 0.0000 34454.2025 -149176.3277 300.8971 -183630.5302 -149075.6024 299.7498 -10.1772 24.6686 557230.5427 -8.2920 -8.1350 PRESSURE: 2813800 210.186 66.864 120.055 66.864 -355.498 -128.652 120.054 -128.652 -145.756 GPRESSURE: 2813800 206.483 16.2685 188.136 20.9164 -306.671 -109.041 177.933 -202.772 -95.1727 PRESSAVG: 2813800 -15.7101 3.59841 58.3222 3.59846 15.7328 -32.1569 58.3222 -32.1569 20.9907 GPRESSAVG: 2813800 -16.0648 5.00884 57.8735 1.62245 14.3991 -33.4175 62.0471 -34.5554 22.899 TIMING: 2813800 CPU: 8391.36, 0.00302374/step Wall: 8391.36, 0.00302374/step, 1.83625 hours remaining, 206.195312 MB of memory in use. ENERGY: 2813800 750.5373 2110.6637 1938.6176 107.1721 -206050.0251 17542.4269 0.0000 0.0000 34234.8354 -149365.7719 298.9813 -183600.6073 -149273.6394 299.4526 -97.0226 -65.1203 555330.5707 7.0045 7.0778 PRESSURE: 2814000 65.6369 80.0246 -93.7647 80.025 -45.4598 -23.8498 -93.7646 -23.8502 -102.078 GPRESSURE: 2814000 75.1744 82.8484 -62.9268 50.0304 2.92119 8.91542 -68.5796 -38.4816 -67.4762 PRESSAVG: 2814000 -7.10184 9.21969 8.33148 9.21968 -10.3361 9.23157 8.33147 9.23161 14.6413 GPRESSAVG: 2814000 -6.92363 7.57202 5.2523 10.0245 -9.49341 11.6229 9.24408 8.55846 13.6202 TIMING: 2814000 CPU: 8391.96, 0.00302096/step Wall: 8391.96, 0.00302096/step, 1.83439 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: 2814000 743.1476 2114.4083 1942.1702 110.8112 -206172.2856 17606.6782 0.0000 0.0000 34203.9317 -149451.1383 298.7114 -183655.0700 -149351.3220 298.8893 -27.3004 3.5398 555849.2499 -0.9322 -0.9323 PRESSURE: 2814200 264.349 -31.8238 124.567 -31.8251 247.467 -72.5951 124.567 -72.5952 14.1378 GPRESSURE: 2814200 362.707 -41.7228 49.4054 5.93737 215.027 -159.108 142.89 -23.6223 40.1315 PRESSAVG: 2814200 25.3941 -35.762 50.0226 -35.762 -6.26053 -29.5373 50.0227 -29.5376 -43.7186 GPRESSAVG: 2814200 25.2349 -37.0795 49.6622 -34.871 -5.31346 -30.7525 47.1765 -27.4097 -44.4325 TIMING: 2814200 CPU: 8392.57, 0.00301797/step Wall: 8392.57, 0.00301797/step, 1.83241 hours remaining, 206.195312 MB of memory in use. ENERGY: 2814200 760.0711 2111.1329 1922.0732 121.8695 -206729.7343 18034.5855 0.0000 0.0000 34366.0606 -149413.9415 300.1274 -183780.0021 -149323.2193 299.0206 175.3180 205.9553 555461.2001 -8.1950 -8.1704 PRESSURE: 2814400 -218.993 55.1898 -88.832 55.1895 -216.253 48.954 -88.8323 48.9561 98.0551 GPRESSURE: 2814400 -220.823 79.4604 -107.62 77.7661 -155.347 38.1841 -30.798 48.0154 140.943 PRESSAVG: 2814400 24.4658 -36.9105 52.9784 -36.9105 11.9997 -33.4333 52.9783 -33.4333 32.5558 GPRESSAVG: 2814400 23.5539 -35.7714 54.625 -38.3756 12.0875 -35.7365 55.5618 -32.9611 32.747 TIMING: 2814400 CPU: 8393.17, 0.00299491/step Wall: 8393.17, 0.00299491/step, 1.81825 hours remaining, 206.195312 MB of memory in use. ENERGY: 2814400 772.6046 2074.3286 1972.3880 117.4135 -206055.8352 17490.5710 0.0000 0.0000 34341.3644 -149287.1652 299.9117 -183628.5297 -149187.3105 299.9609 -112.3968 -78.4091 556887.3881 23.0071 22.7961 PRESSURE: 2814600 180.091 -123.068 88.2199 -123.068 152.388 59.3671 88.2195 59.3659 21.1302 GPRESSURE: 2814600 266.267 -130.321 16.9137 -50.2773 123.74 140.289 116.741 -111.519 73.3283 PRESSAVG: 2814600 -48.323 0.645357 33.1261 0.645319 42.3495 -31.3476 33.1259 -31.3476 -33.8705 GPRESSAVG: 2814600 -46.9638 -0.0262599 35.3934 2.4234 42.1852 -31.7408 29.6488 -32.2165 -34.8777 TIMING: 2814600 CPU: 8393.77, 0.00301087/step Wall: 8393.77, 0.00301087/step, 1.82776 hours remaining, 206.195312 MB of memory in use. ENERGY: 2814600 727.0746 2065.3841 1932.0315 117.7242 -206222.2135 17904.4302 0.0000 0.0000 34174.8051 -149300.7638 298.4571 -183475.5689 -149213.4011 299.3562 117.8695 154.4451 556364.8239 -13.2813 -13.2187 PRESSURE: 2814800 -58.8093 57.8016 -104.042 57.8019 0.785388 49.083 -104.042 49.0822 -50.575 GPRESSURE: 2814800 -38.7865 28.5085 -68.8021 109.593 22.2268 -73.8475 -18.6365 77.8038 10.7413 PRESSAVG: 2814800 -34.0724 62.2197 -33.5841 62.2197 3.92954 15.0429 -33.5841 15.0429 36.8385 GPRESSAVG: 2814800 -34.5888 62.0022 -34.915 63.2049 2.68693 17.0218 -32.0777 15.3472 38.5047 TIMING: 2814800 CPU: 8394.37, 0.00301292/step Wall: 8394.37, 0.00301292/step, 1.82884 hours remaining, 206.195312 MB of memory in use. ENERGY: 2814800 729.6526 2094.3560 1945.5167 117.4032 -206171.2114 17824.6588 0.0000 0.0000 34036.8458 -149422.7782 297.2522 -183459.6240 -149324.5356 298.9357 -36.1996 -1.9395 558464.6264 2.2319 2.2009 PRESSURE: 2815000 103.033 -79.5387 14.9667 -79.539 -166.037 -90.8789 14.9663 -90.8784 13.3258 GPRESSURE: 2815000 137.861 -75.6312 -43.3977 -145.375 -131.317 -178.078 20.7172 3.52402 40.6785 PRESSAVG: 2815000 -12.7435 -5.49388 -20.3401 -5.49389 24.8063 -2.62109 -20.3401 -2.62111 -45.0562 GPRESSAVG: 2815000 -13.0479 -3.96946 -18.0078 -5.67597 25.8645 -3.5608 -20.7608 -3.22789 -45.8027 TIMING: 2815000 CPU: 8394.97, 0.00300655/step Wall: 8394.97, 0.00300655/step, 1.82481 hours remaining, 206.195312 MB of memory in use. ENERGY: 2815000 726.4702 2088.0875 1969.3708 126.3634 -206500.0657 17882.8114 0.0000 0.0000 34365.3542 -149341.6083 300.1212 -183706.9625 -149240.3006 298.9053 -16.5594 15.7409 557765.3583 -10.9978 -10.9954 PRESSURE: 2815200 -51.2789 46.6728 125.621 46.6718 176.129 129.987 125.621 129.986 478.513 GPRESSURE: 2815200 17.2663 108.289 138.234 38.9237 223.618 140.185 77.5828 154.808 467.749 PRESSAVG: 2815200 -59.5864 -85.1686 -10.3618 -85.1685 40.8041 40.0157 -10.3618 40.0157 -22.4563 GPRESSAVG: 2815200 -58.7327 -87.1334 -12.2451 -87.5009 39.8384 39.4332 -9.01792 40.6299 -22.0894 TIMING: 2815200 CPU: 8395.57, 0.00300134/step Wall: 8395.57, 0.00300134/step, 1.82148 hours remaining, 206.195312 MB of memory in use. ENERGY: 2815200 721.5164 2103.9314 1965.0663 110.8048 -206648.4061 17983.7535 0.0000 0.0000 34296.4983 -149466.8354 299.5198 -183763.3338 -149372.4477 298.4763 201.1208 236.2110 554098.5878 -13.7462 -13.6612 PRESSURE: 2815400 -97.4974 -69.4939 36.1164 -69.4941 -57.764 -73.0501 36.115 -73.0492 -0.719748 GPRESSURE: 2815400 -85.1951 -71.586 -100.109 -120.076 -22.2999 -23.3069 88.3864 -75.2726 47.2599 PRESSAVG: 2815400 20.5009 4.54197 -7.53013 4.54192 -18.2452 -40.2801 -7.53013 -40.2801 20.6846 GPRESSAVG: 2815400 19.3639 2.86281 -7.52026 7.66545 -17.0981 -37.2855 -9.45363 -39.8952 20.8203 TIMING: 2815400 CPU: 8396.17, 0.00300916/step Wall: 8396.17, 0.00300916/step, 1.82606 hours remaining, 206.195312 MB of memory in use. ENERGY: 2815400 740.6577 2056.7149 1925.2292 117.4940 -206228.6570 17687.4488 0.0000 0.0000 34217.0453 -149484.0671 298.8260 -183701.1124 -149393.0182 298.8392 -51.9937 -20.0784 556176.3286 7.6468 7.6954 PRESSURE: 2815600 -174.495 -0.0797187 -216.397 -0.079675 60.7388 22.0724 -216.397 22.073 46.347 GPRESSURE: 2815600 -128.678 -77.6188 -171.899 66.8386 89.7606 106.472 -284.581 -37.9966 57.1503 PRESSAVG: 2815600 -26.081 -6.48457 -48.6393 -6.48446 -23.7606 8.11834 -48.6395 8.11842 40.4113 GPRESSAVG: 2815600 -26.0605 -3.35679 -46.8437 -6.7872 -24.6105 7.24157 -47.4775 8.86742 40.7897 TIMING: 2815600 CPU: 8396.77, 0.00297382/step Wall: 8396.77, 0.00297382/step, 1.80445 hours remaining, 206.195312 MB of memory in use. ENERGY: 2815600 728.4658 2082.4572 1960.8235 121.3953 -206125.9118 17834.1480 0.0000 0.0000 33803.7032 -149594.9188 295.2161 -183398.6220 -149508.3009 298.3215 -22.4696 6.0776 557737.3497 -3.1434 -3.2937 PRESSURE: 2815800 -91.8617 176.757 -151.405 176.756 -64.9189 -7.67937 -151.405 -7.67879 155.158 GPRESSURE: 2815800 -27.5206 229.903 -195.386 114.292 -17.3347 11.8215 -123.886 -116.033 141.26 PRESSAVG: 2815800 -62.5298 -6.60937 -20.5815 -6.60937 55.2601 -3.70419 -20.5814 -3.70412 32.4128 GPRESSAVG: 2815800 -61.2001 -4.79669 -22.1632 -9.32607 54.1565 -3.16003 -19.5145 -6.06276 32.2984 TIMING: 2815800 CPU: 8397.37, 0.00301239/step Wall: 8397.37, 0.00301239/step, 1.82768 hours remaining, 206.195312 MB of memory in use. ENERGY: 2815800 757.0971 2035.2141 1955.4953 116.5222 -206472.2090 17940.6040 0.0000 0.0000 34194.3719 -149472.9044 298.6280 -183667.2763 -149382.6522 298.7406 -0.5411 32.1348 557486.3163 8.3810 8.4183 PRESSURE: 2816000 382.993 -115.49 33.2546 -115.49 -2.28026 110.673 33.2541 110.672 136.286 GPRESSURE: 2816000 388.43 -233.86 13.0398 -82.9847 97.6111 37.5021 43.4001 97.1637 127.241 PRESSAVG: 2816000 5.73255 -0.417041 16.9052 -0.417072 -42.2203 17.4848 16.9051 17.485 60.7041 GPRESSAVG: 2816000 3.84308 -1.69555 16.4324 0.570129 -40.8317 16.9242 16.354 17.9457 61.1595 TIMING: 2816000 CPU: 8397.97, 0.00301045/step Wall: 8397.97, 0.00301045/step, 1.82634 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: 2816000 753.4148 2089.0067 1923.7170 106.8884 -206734.2313 18160.7330 0.0000 0.0000 34299.1432 -149401.3282 299.5429 -183700.4714 -149302.1523 299.0496 172.3330 204.4275 557557.1003 8.0721 8.0570 PRESSURE: 2816200 205.282 -114.095 -43.0962 -114.095 101.253 -61.8654 -43.0962 -61.865 216.966 GPRESSURE: 2816200 293.319 -170.797 -79.4135 -101.821 111.343 -8.57345 -12.8144 -147.509 227.016 PRESSAVG: 2816200 66.6553 -70.116 1.51798 -70.1161 -31.9336 -14.8925 1.51792 -14.8925 -14.2766 GPRESSAVG: 2816200 69.3733 -71.5865 0.246852 -68.318 -33.0598 -17.7887 1.74581 -12.8456 -15.8885 TIMING: 2816200 CPU: 8398.58, 0.0030175/step Wall: 8398.58, 0.0030175/step, 1.83045 hours remaining, 206.195312 MB of memory in use. ENERGY: 2816200 742.9835 2022.3854 1959.3773 101.7867 -206580.2584 18225.2753 0.0000 0.0000 34183.1075 -149345.3426 298.5296 -183528.4501 -149250.1266 299.5887 174.5003 210.5593 558741.9979 6.8150 6.8083 LDB: ============= START OF LOAD BALANCING ============== 8402.01 LDB: ============== END OF LOAD BALANCING =============== 8402.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8402.01 LDB: ============= START OF LOAD BALANCING ============== 8402.31 LDB: Largest compute 4821 load 0.030065 is 25.5% of average load 0.117932 LDB: Average compute 0.001745 is 1.5% of average load 0.117932 LDB: TIME 8402.31 LOAD: AVG 0.117932 MAX 0.206723 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 8402.31 LOAD: AVG 0.117932 MAX 0.206723 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 8402.31 LOAD: AVG 0.117932 MAX 0.206723 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8402.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8402.32 PRESSURE: 2816400 -264.757 156.464 -22.5764 156.464 -253.308 -90.2566 -22.5776 -90.2569 -193.665 GPRESSURE: 2816400 -248.891 191.16 -67.9863 109.005 -203.439 -35.4484 -38.6024 -42.524 -148.498 PRESSAVG: 2816400 46.7804 29.7499 25.1352 29.75 -52.3993 -38.805 25.1351 -38.8051 30.8196 GPRESSAVG: 2816400 44.791 29.7158 28.0877 28.8289 -51.0672 -35.5197 23.4367 -41.1949 31.7205 TIMING: 2816400 CPU: 8399.19, 0.00306452/step Wall: 8399.19, 0.00306452/step, 1.8588 hours remaining, 206.453125 MB of memory in use. ENERGY: 2816400 707.2132 2101.2964 1970.6691 102.6328 -205937.5801 17484.5876 0.0000 0.0000 34236.0208 -149335.1603 298.9917 -183571.1811 -149242.8999 298.8175 -237.2433 -200.2760 559020.4383 8.4002 8.4815 PRESSURE: 2816600 19.9889 13.1546 168.706 13.1553 233.914 -52.2113 168.706 -52.2123 -0.91664 GPRESSURE: 2816600 73.0298 21.2185 149.666 0.95475 277.885 -174.191 244.151 48.1485 -10.2901 PRESSAVG: 2816600 -26.3205 -17.5264 43.8961 -17.5263 -4.41962 39.1785 43.8961 39.1785 11.8813 GPRESSAVG: 2816600 -25.8595 -15.8433 40.856 -17.9296 -3.97113 39.1881 46.0558 41.1783 10.4256 TIMING: 2816600 CPU: 8399.79, 0.00297661/step Wall: 8399.79, 0.00297661/step, 1.80531 hours remaining, 206.656250 MB of memory in use. ENERGY: 2816600 734.1635 2060.1801 1938.4578 118.3965 -206489.3473 18008.2416 0.0000 0.0000 34285.1608 -149344.7470 299.4208 -183629.9078 -149245.8672 298.6870 84.3287 113.5415 558262.1646 -6.2863 -6.4683 PRESSURE: 2816800 -41.0452 21.8474 101.622 21.8478 -311.724 41.8678 101.623 41.8668 -210.21 GPRESSURE: 2816800 -29.4873 18.0761 51.6116 38.7204 -244.369 0.9126 106.049 109.142 -181.141 PRESSAVG: 2816800 -32.9139 2.19868 -7.30358 2.19871 14.2574 -11.6715 -7.30359 -11.6715 -8.94504 GPRESSAVG: 2816800 -33.6204 3.0054 -6.16275 3.12511 13.0168 -12.2957 -6.60307 -13.9819 -6.92585 TIMING: 2816800 CPU: 8400.38, 0.00297596/step Wall: 8400.38, 0.00297596/step, 1.80475 hours remaining, 206.656250 MB of memory in use. ENERGY: 2816800 754.8012 2056.2480 1926.9928 120.9463 -206041.1737 17700.5339 0.0000 0.0000 34205.3493 -149276.3022 298.7238 -183481.6515 -149183.3099 299.4511 -187.6599 -151.6658 559714.8415 -9.2005 -9.1765 PRESSURE: 2817000 16.0232 -69.7619 42.8041 -69.7627 60.9159 -111.203 42.8063 -111.204 -135.624 GPRESSURE: 2817000 76.4919 -66.9318 66.098 -133.32 95.0976 -117.526 82.1871 -83.4442 -143.008 PRESSAVG: 2817000 13.8834 0.0192152 -10.5291 0.019237 -4.64658 47.8804 -10.5291 47.8804 -0.772897 GPRESSAVG: 2817000 14.514 -0.0465739 -9.81012 -1.23914 -4.83801 46.5625 -12.8397 47.7442 -0.747376 TIMING: 2817000 CPU: 8400.98, 0.00298784/step Wall: 8400.98, 0.00298784/step, 1.81179 hours remaining, 206.656250 MB of memory in use. ENERGY: 2817000 762.9813 2087.2522 1946.8775 105.6649 -206271.3406 17791.6658 0.0000 0.0000 34325.2075 -149251.6913 299.7706 -183576.8988 -149151.7553 298.9304 -19.5617 9.5272 557681.5995 2.8213 2.9762 PRESSURE: 2817200 -69.1367 -192.626 106.68 -192.627 -126.907 57.3846 106.679 57.3853 329.508 GPRESSURE: 2817200 -22.5 -231.45 62.9706 -215.592 -91.9231 135.965 115.659 27.168 338.174 PRESSAVG: 2817200 -19.1735 -20.5641 18.0069 -20.5641 5.74111 -2.41569 18.007 -2.41574 6.01143 GPRESSAVG: 2817200 -18.2657 -21.4186 18.05 -16.9923 6.08017 -2.26812 17.3074 -2.29054 4.37339 TIMING: 2817200 CPU: 8401.58, 0.00300254/step Wall: 8401.58, 0.00300254/step, 1.82054 hours remaining, 206.656250 MB of memory in use. ENERGY: 2817200 757.1881 2035.6725 1952.8194 114.1061 -206380.4194 18100.1183 0.0000 0.0000 34235.6525 -149184.8625 298.9885 -183420.5150 -149091.3277 299.7919 44.4879 74.5837 558726.0665 -2.4737 -2.6040 PRESSURE: 2817400 -115.301 -20.161 -84.9006 -20.1596 197.161 60.0343 -84.901 60.0359 44.6047 GPRESSURE: 2817400 -45.8705 -51.0495 -114.345 -59.623 235.347 68.4179 -88.1279 77.8993 31.7011 PRESSAVG: 2817400 11.1502 -15.3806 -18.3331 -15.3805 -14.216 48.7261 -18.3331 48.7261 -11.8202 GPRESSAVG: 2817400 9.92686 -15.5423 -18.6027 -17.7361 -13.6231 49.6298 -17.9263 48.4727 -10.7503 TIMING: 2817400 CPU: 8402.18, 0.00302948/step Wall: 8402.18, 0.00302948/step, 1.83671 hours remaining, 206.656250 MB of memory in use. ENERGY: 2817400 726.1831 2058.5809 1950.2347 115.1964 -206080.9654 17920.2896 0.0000 0.0000 33963.7445 -149346.7362 296.6138 -183310.4807 -149242.6415 299.0660 42.1548 73.7258 557663.0116 -4.9620 -4.8155 PRESSURE: 2817600 -97.5494 72.4546 62.6908 72.4531 27.671 72.2814 62.6926 72.2821 -14.4757 GPRESSURE: 2817600 -17.7894 48.0749 -60.9383 88.9756 31.7217 52.5551 150.765 42.4576 5.31448 PRESSAVG: 2817600 -39.6491 32.819 -38.7121 32.8189 106.753 -18.3677 -38.7121 -18.3678 -73.0977 GPRESSAVG: 2817600 -38.8854 32.505 -41.2272 32.3789 105.677 -17.4337 -36.5924 -18.2853 -72.4646 TIMING: 2817600 CPU: 8402.79, 0.00301155/step Wall: 8402.79, 0.00301155/step, 1.82567 hours remaining, 206.656250 MB of memory in use. ENERGY: 2817600 743.8440 2048.5186 1941.0625 111.7691 -206445.6006 17889.5618 0.0000 0.0000 34234.1051 -149476.7393 298.9750 -183710.8444 -149378.7193 298.3639 -28.1180 6.4156 558004.0576 -1.9980 -1.8912 PRESSURE: 2817800 -48.3095 -27.7458 66.3254 -27.7443 300.305 -111.902 66.3255 -111.901 252.557 GPRESSURE: 2817800 -12.7914 -28.2003 142.186 -33.6863 360.177 -135.559 -41.1359 -18.0726 255.962 PRESSAVG: 2817800 -35.9465 24.2371 -17.1298 24.2372 13.5977 -9.59119 -17.1298 -9.5912 29.9245 GPRESSAVG: 2817800 -35.3036 23.8049 -15.6412 25.0964 13.8576 -9.49675 -18.1767 -10.3412 28.9366 TIMING: 2817800 CPU: 8403.39, 0.00300033/step Wall: 8403.39, 0.00300033/step, 1.8187 hours remaining, 206.656250 MB of memory in use. ENERGY: 2817800 736.3908 2039.0409 1927.6198 113.1313 -206353.3323 17987.7074 0.0000 0.0000 34272.1337 -149277.3084 299.3071 -183549.4421 -149180.3686 299.2414 168.1843 201.1158 557034.1907 2.5252 2.4969 PRESSURE: 2818000 -14.891 -17.4303 54.0395 -17.4317 -307.453 -152.718 54.0389 -152.719 -118.303 GPRESSURE: 2818000 57.1239 41.3597 101.391 -91.9985 -269.974 -186.726 25.2176 -99.5293 -122.345 PRESSAVG: 2818000 10.957 17.92 -23.7315 17.92 -43.1572 -7.36841 -23.7315 -7.36832 20.8379 GPRESSAVG: 2818000 10.6965 17.3012 -25.3479 17.8805 -43.7856 -7.84443 -24.037 -6.47631 22.3255 TIMING: 2818000 CPU: 8403.99, 0.00300757/step Wall: 8403.99, 0.00300757/step, 1.82292 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: 2818000 771.6936 2107.2457 1939.5953 117.1808 -206103.2230 17535.1964 0.0000 0.0000 34213.0298 -149419.2813 298.7909 -183632.3111 -149324.2329 298.7689 -146.8822 -111.7317 556773.8679 -3.7874 -3.5879 PRESSURE: 2818200 96.1524 -136.515 -58.0655 -136.517 378.885 -12.3118 -58.0665 -12.3113 152.952 GPRESSURE: 2818200 60.4767 -101.333 -80.6017 -148.934 408.808 36.1546 62.361 23.4481 239.103 PRESSAVG: 2818200 43.8965 -7.29243 -18.323 -7.29236 -25.8881 -27.7447 -18.323 -27.7448 -2.50544 GPRESSAVG: 2818200 42.8966 -5.69733 -15.6818 -7.19662 -24.5268 -27.5683 -17.5031 -29.2202 -3.01754 TIMING: 2818200 CPU: 8404.59, 0.00299484/step Wall: 8404.59, 0.00299484/step, 1.81504 hours remaining, 206.656250 MB of memory in use. ENERGY: 2818200 729.0253 2080.0592 1951.3241 116.3574 -206694.2947 18102.5828 0.0000 0.0000 34276.6554 -149438.2906 299.3466 -183714.9460 -149337.4751 299.1525 209.3298 236.1290 555330.6373 5.1676 5.1174 PRESSURE: 2818400 -40.8885 58.6047 44.2914 58.6043 221.885 -126.698 44.2923 -126.696 217.519 GPRESSURE: 2818400 56.7507 -20.7865 -11.6036 91.6905 264.656 -60.2374 72.4965 -176.177 183.645 PRESSAVG: 2818400 -33.3584 -0.287711 -31.1879 -0.287746 28.1473 7.75709 -31.1879 7.75709 22.1806 GPRESSAVG: 2818400 -32.9573 -1.7039 -30.7669 0.631693 28.2649 8.94563 -32.831 8.65212 21.9946 TIMING: 2818400 CPU: 8405.18, 0.00297481/step Wall: 8405.18, 0.00297481/step, 1.80273 hours remaining, 206.656250 MB of memory in use. ENERGY: 2818400 774.7018 2053.9248 1958.4249 116.9109 -206671.8687 17982.6682 0.0000 0.0000 34193.0874 -149592.1506 298.6167 -183785.2380 -149491.8653 298.3925 132.8383 168.3504 555167.3777 5.6565 5.7674 PRESSURE: 2818600 -46.9537 -32.9834 -43.765 -32.9818 -39.5229 -92.8758 -43.764 -92.8767 -236.533 GPRESSURE: 2818600 1.46695 -87.6992 -50.8895 107.009 -5.37506 -1.02001 -30.8464 -167.099 -214.81 PRESSAVG: 2818600 41.1315 46.4319 6.25837 46.432 -28.5767 66.3022 6.25832 66.3023 -23.6573 GPRESSAVG: 2818600 39.8685 45.873 4.29585 45.8789 -27.9072 64.4998 7.16014 68.2981 -23.148 TIMING: 2818600 CPU: 8405.79, 0.00302363/step Wall: 8405.79, 0.00302363/step, 1.83215 hours remaining, 206.656250 MB of memory in use. ENERGY: 2818600 725.6754 2094.6722 1952.8720 106.7320 -206156.0706 17630.4750 0.0000 0.0000 34110.1842 -149535.4597 297.8927 -183645.6440 -149433.9543 298.6303 -107.6699 -72.9059 559248.1249 -3.7008 -3.7289 PRESSURE: 2818800 -333.881 147.803 47.8603 147.803 -117.714 55.3855 47.8598 55.3861 5.60098 GPRESSURE: 2818800 -295.484 160.689 105.672 184.896 -95.8971 101.911 46.4965 33.0321 30.4932 PRESSAVG: 2818800 -17.2923 -6.00089 0.558052 -6.00096 -5.72627 45.0512 0.558026 45.0514 -7.25265 GPRESSAVG: 2818800 -16.9141 -5.91511 1.58429 -5.40766 -6.41177 45.2938 -1.39591 45.6323 -7.45941 TIMING: 2818800 CPU: 8406.39, 0.00300947/step Wall: 8406.39, 0.00300947/step, 1.82341 hours remaining, 206.656250 MB of memory in use. ENERGY: 2818800 738.5474 2106.3221 1967.9772 111.5176 -206101.6243 17582.0260 0.0000 0.0000 34219.9862 -149375.2477 298.8517 -183595.2338 -149286.8964 298.5078 -148.6646 -120.2958 557456.3235 -10.0904 -10.2618 PRESSURE: 2819000 -148.226 -141.451 99.9119 -141.451 82.2282 102.997 99.9121 102.995 139.422 GPRESSURE: 2819000 -200.152 -96.0281 107.899 -132.378 198.432 24.8128 61.8549 167.654 166.221 PRESSAVG: 2819000 -67.5852 -23.9016 68.7972 -23.9015 56.5283 77.6435 68.7972 77.6434 13.5708 GPRESSAVG: 2819000 -68.3838 -23.2156 68.81 -24.3338 56.6196 77.4979 69.0402 76.7967 14.178 TIMING: 2819000 CPU: 8406.99, 0.00299485/step Wall: 8406.99, 0.00299485/step, 1.81438 hours remaining, 206.656250 MB of memory in use. ENERGY: 2819000 754.6990 2063.2977 1955.1286 109.8265 -206269.8772 17860.0899 0.0000 0.0000 34010.5099 -149516.3255 297.0222 -183526.8354 -149419.4033 298.6103 24.4747 54.8339 557082.5181 0.8380 0.8046 PRESSURE: 2819200 -125.604 -73.8746 71.4104 -73.8754 -147.44 -1.97945 71.4091 -1.97913 71.2425 GPRESSURE: 2819200 -71.4762 -2.52403 82.3283 -107.175 -94.9475 -116.756 97.3621 23.992 58.2255 PRESSAVG: 2819200 -43.4794 -35.0677 -16.241 -35.0678 80.8005 -17.8453 -16.2409 -17.8453 -8.74683 GPRESSAVG: 2819200 -42.2759 -33.8611 -16.1 -35.1683 80.9199 -16.1162 -14.8185 -17.7343 -10.1885 TIMING: 2819200 CPU: 8407.59, 0.00302871/step Wall: 8407.59, 0.00302871/step, 1.83472 hours remaining, 206.656250 MB of memory in use. ENERGY: 2819200 753.7110 2094.7363 1940.6393 121.3625 -206170.1392 17751.3350 0.0000 0.0000 34043.1633 -149465.1918 297.3074 -183508.3551 -149369.6994 298.4969 -67.2670 -36.0661 556029.7250 9.5248 9.4852 PRESSURE: 2819400 -206.479 -68.3269 52.2658 -68.325 -277.662 -95.978 52.2666 -95.9792 -33.9635 GPRESSURE: 2819400 -230.666 -95.0219 19.745 -35.7306 -235.575 -139.892 1.57967 -98.7465 46.0037 PRESSAVG: 2819400 17.3162 -19.655 -49.7823 -19.6551 24.3263 -5.45522 -49.7822 -5.45513 -43.2398 GPRESSAVG: 2819400 17.7259 -20.2767 -51.2744 -20.2587 23.6792 -5.20388 -50.0625 -8.14565 -42.4655 TIMING: 2819400 CPU: 8408.2, 0.00302426/step Wall: 8408.2, 0.00302426/step, 1.83186 hours remaining, 206.656250 MB of memory in use. ENERGY: 2819400 731.6844 2097.8949 1927.4972 116.7391 -205874.6321 17582.4142 0.0000 0.0000 33944.9167 -149473.4857 296.4494 -183418.4024 -149375.6763 298.0276 -172.7015 -140.0793 557749.1414 -0.5324 -0.3535 PRESSURE: 2819600 -315.412 112.862 -97.8509 112.862 80.9353 30.9081 -97.8489 30.9082 -309.488 GPRESSURE: 2819600 -278.759 131.328 -79.2604 58.8953 95.3067 82.6406 -48.4532 13.2953 -269.196 PRESSAVG: 2819600 -49.2715 -21.7855 -39.4138 -21.7854 -3.36473 -2.73897 -39.4138 -2.73898 42.222 GPRESSAVG: 2819600 -49.8257 -22.657 -40.1359 -21.4118 -3.29 -2.96081 -37.6182 -1.48963 42.1941 TIMING: 2819600 CPU: 8408.8, 0.00298596/step Wall: 8408.8, 0.00298596/step, 1.8085 hours remaining, 206.656250 MB of memory in use. ENERGY: 2819600 756.2620 2021.8342 1943.5591 108.6839 -206230.8937 17727.5523 0.0000 0.0000 34269.4538 -149403.5484 299.2837 -183673.0022 -149310.4860 298.5748 -181.3215 -150.8831 558112.5955 -3.4714 -3.6405 PRESSURE: 2819800 -57.8091 -127.9 -42.648 -127.899 -251.184 82.9955 -42.6471 82.9969 -172.54 GPRESSURE: 2819800 -65.8888 -156.779 22.3728 -182.518 -199.394 119.236 -199.74 -1.74724 -117.343 PRESSAVG: 2819800 16.203 44.9211 -9.70084 44.9211 0.907032 -5.9556 -9.7009 -5.95553 -23.6496 GPRESSAVG: 2819800 16.9062 45.3228 -9.8957 47.514 0.632975 -6.14512 -11.2344 -7.53359 -24.2288 TIMING: 2819800 CPU: 8409.4, 0.00299864/step Wall: 8409.4, 0.00299864/step, 1.81601 hours remaining, 206.656250 MB of memory in use. ENERGY: 2819800 745.7530 2152.1167 1937.1169 100.4622 -206243.5228 17586.1235 0.0000 0.0000 34283.7027 -149438.2477 299.4081 -183721.9504 -149345.4102 298.7933 -160.5112 -127.5419 556509.8856 -2.1799 -2.2299 PRESSURE: 2820000 278.917 -3.60505 83.851 -3.6053 4.49936 8.22957 83.8512 8.22879 116.888 GPRESSURE: 2820000 301.302 -37.2687 89.647 37.108 17.8768 -43.6464 165.344 88.257 166.954 PRESSAVG: 2820000 49.0931 3.11689 -49.3441 3.11685 -11.5919 58.7537 -49.3441 58.7536 -39.2412 GPRESSAVG: 2820000 48.429 3.14165 -49.2711 3.14399 -11.2462 55.7442 -49.7697 62.0325 -39.4458 TIMING: 2820000 CPU: 8410, 0.00302101/step Wall: 8410, 0.00302101/step, 1.82939 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: 2820000 767.7507 2101.2431 1942.0034 121.7381 -206651.8584 18012.9822 0.0000 0.0000 34140.8419 -149565.2990 298.1605 -183706.1409 -149468.3969 298.3465 133.4350 162.0443 555408.3426 -0.5800 -0.7543 PRESSURE: 2820200 -123.078 66.3452 -38.003 66.346 134.927 115.481 -38.0033 115.481 -103.242 GPRESSURE: 2820200 -59.9635 -16.2862 27.3781 84.9125 173.272 45.9622 -69.8743 99.5791 -102.745 PRESSAVG: 2820200 -7.54298 -35.7952 31.7836 -35.7952 -4.79857 16.8147 31.7836 16.8146 -40.3426 GPRESSAVG: 2820200 -7.07307 -35.0915 31.9951 -37.9147 -5.65119 18.0996 30.8887 16.5413 -39.6282 TIMING: 2820200 CPU: 8410.6, 0.00300444/step Wall: 8410.6, 0.00300444/step, 1.81919 hours remaining, 206.656250 MB of memory in use. ENERGY: 2820200 705.6957 2050.5872 1949.8695 104.6180 -206130.1844 17589.5856 0.0000 0.0000 34150.2538 -149579.5745 298.2427 -183729.8283 -149484.7412 298.7400 -30.4643 3.5212 557363.4719 -17.5614 -17.4508 LDB: ============= START OF LOAD BALANCING ============== 8414.03 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8414.03 LDB: =============== DONE WITH MIGRATION ================ 8414.04 LDB: ============= START OF LOAD BALANCING ============== 8414.34 LDB: Largest compute 4821 load 0.029549 is 25.0% of average load 0.118018 LDB: Average compute 0.001755 is 1.5% of average load 0.118018 LDB: TIME 8414.34 LOAD: AVG 0.118018 MAX 0.208645 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 8414.34 LOAD: AVG 0.118018 MAX 0.208645 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.918 MB LDB: TIME 8414.34 LOAD: AVG 0.118018 MAX 0.208645 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.918 MB LDB: ============== END OF LOAD BALANCING =============== 8414.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8414.35 PRESSURE: 2820400 51.9865 -44.6442 -49.8824 -44.6431 13.4191 31.7706 -49.8826 31.7712 -253.563 GPRESSURE: 2820400 59.3431 -130.124 -85.8335 60.3239 50.2643 -22.687 -26.2278 30.1495 -207.13 PRESSAVG: 2820400 -86.9854 -61.3407 1.03623 -61.3406 73.1808 24.9154 1.0361 24.9153 -3.97069 GPRESSAVG: 2820400 -86.1704 -62.3295 1.17071 -59.9043 72.7983 25.6547 0.407043 23.575 -4.73521 TIMING: 2820400 CPU: 8411.22, 0.00310233/step Wall: 8411.22, 0.00310233/step, 1.87829 hours remaining, 207.484375 MB of memory in use. ENERGY: 2820400 723.7467 2069.2793 1975.2298 117.3629 -206144.4982 17615.0552 0.0000 0.0000 34171.7394 -149472.0848 298.4303 -183643.8242 -149375.7518 298.6086 -62.7192 -32.5074 556276.3437 -5.9251 -6.0358 PRESSURE: 2820600 319.223 -188.718 83.4594 -188.717 -18.5217 -73.1935 83.4601 -73.1942 -45.7167 GPRESSURE: 2820600 388.783 -86.3238 81.8949 -195.279 -57.6382 -71.715 114.75 15.1753 33.5773 PRESSAVG: 2820600 83.5635 -6.50444 -28.8199 -6.50438 -59.3785 -0.402805 -28.8198 -0.402986 11.5526 GPRESSAVG: 2820600 83.1624 -5.23086 -27.0763 -7.38812 -60.0161 -1.26778 -28.6022 0.535026 12.7978 TIMING: 2820600 CPU: 8411.82, 0.00301784/step Wall: 8411.82, 0.00301784/step, 1.82696 hours remaining, 207.628906 MB of memory in use. ENERGY: 2820600 703.9693 2097.6885 1915.6050 107.8660 -206565.6160 17968.9012 0.0000 0.0000 34285.8524 -149485.7336 299.4269 -183771.5860 -149391.1269 298.1462 84.9949 121.5740 556019.9155 11.9125 11.9814 PRESSURE: 2820800 172.692 -111.539 40.051 -111.539 21.5832 -183.176 40.0511 -183.176 -5.70269 GPRESSURE: 2820800 216.637 -149.537 65.9822 -17.5811 49.3503 -292.914 -2.91699 -160.969 9.25937 PRESSAVG: 2820800 92.1535 -33.3655 89.7929 -33.3656 -6.76035 -14.8444 89.793 -14.8444 -2.76566 GPRESSAVG: 2820800 91.8422 -33.508 89.2314 -32.86 -4.84108 -12.0946 89.5998 -15.5065 -4.11422 TIMING: 2820800 CPU: 8412.43, 0.00303721/step Wall: 8412.43, 0.00303721/step, 1.83852 hours remaining, 207.628906 MB of memory in use. ENERGY: 2820800 779.4082 2065.1979 1922.8276 111.6718 -206807.2128 18128.3313 0.0000 0.0000 34296.1936 -149503.5824 299.5172 -183799.7760 -149413.3177 298.2854 62.8574 91.7488 556713.8039 27.5425 27.6290 PRESSURE: 2821000 149.799 67.3313 -77.8384 67.3298 5.29705 -163.375 -77.838 -163.375 22.9535 GPRESSURE: 2821000 215.298 117.61 -49.3562 52.0098 59.3836 -113.354 -79.0411 -140.367 -12.7284 PRESSAVG: 2821000 -11.1869 -9.20974 -19.3992 -9.20984 -59.0186 13.5729 -19.3993 13.5729 35.8051 GPRESSAVG: 2821000 -10.885 -9.58729 -19.6869 -12.1943 -59.0947 10.4424 -19.0376 15.8973 36.0917 TIMING: 2821000 CPU: 8413.04, 0.00304366/step Wall: 8413.04, 0.00304366/step, 1.84226 hours remaining, 207.628906 MB of memory in use. ENERGY: 2821000 715.5581 2146.5473 1925.7327 127.3447 -206284.3673 17899.8743 0.0000 0.0000 34157.5717 -149311.7386 298.3066 -183469.3102 -149215.9512 298.7066 59.3497 87.3179 557930.1753 -11.4668 -11.2960 PRESSURE: 2821200 110.921 99.7683 155.376 99.7676 45.9174 157.897 155.376 157.897 -13.2415 GPRESSURE: 2821200 154.621 58.3152 182.585 87.5411 77.5029 93.9984 70.3188 206.375 4.75283 PRESSAVG: 2821200 2.01901 42.3188 9.39963 42.3188 -8.81846 76.3049 9.39969 76.3049 5.94471 GPRESSAVG: 2821200 0.926476 42.8554 11.6645 44.7038 -8.9149 76.5093 7.04084 74.9616 7.08745 TIMING: 2821200 CPU: 8413.65, 0.00305459/step Wall: 8413.65, 0.00305459/step, 1.84871 hours remaining, 207.628906 MB of memory in use. ENERGY: 2821200 765.1085 2142.9204 1946.8944 103.6180 -206405.0660 17955.9201 0.0000 0.0000 34212.7771 -149277.8274 298.7887 -183490.6045 -149179.8226 299.2853 47.8657 78.9588 558303.6197 -0.2849 -0.3003 PRESSURE: 2821400 208.563 94.561 -102.3 94.5611 87.0147 13.2313 -102.3 13.2308 74.4993 GPRESSURE: 2821400 229.589 71.4814 -65.2099 26.565 116.285 31.0758 -108.423 54.7636 113.345 PRESSAVG: 2821400 9.4451 -17.9532 -60.2525 -17.9532 -32.5222 19.6098 -60.2525 19.6096 64.2946 GPRESSAVG: 2821400 10.1303 -17.8333 -62.3289 -19.1882 -31.9591 20.0858 -60.3093 20.7145 63.3082 TIMING: 2821400 CPU: 8414.26, 0.00304357/step Wall: 8414.26, 0.00304357/step, 1.84186 hours remaining, 207.628906 MB of memory in use. ENERGY: 2821400 763.0588 2060.9823 1947.6011 121.1662 -206446.5299 18139.5484 0.0000 0.0000 34236.5897 -149177.5834 298.9967 -183414.1731 -149082.5210 298.7858 123.3589 153.0730 558415.7947 13.7392 13.8264 PRESSURE: 2821600 148.931 32.1808 -17.3328 32.1812 114.089 80.6035 -17.3337 80.6046 474.57 GPRESSURE: 2821600 162.595 -5.38682 48.9454 41.2113 120.849 5.74732 -86.112 72.8239 541.564 PRESSAVG: 2821600 -0.985835 7.58622 -32.6829 7.58608 24.6823 40.0937 -32.6828 40.0938 14.1273 GPRESSAVG: 2821600 -2.15601 6.84399 -33.0023 7.91489 25.0378 41.289 -30.8558 36.7617 15.0225 TIMING: 2821600 CPU: 8414.86, 0.00301781/step Wall: 8414.86, 0.00301781/step, 1.82611 hours remaining, 207.628906 MB of memory in use. ENERGY: 2821600 751.0610 2086.4880 1964.9580 119.4822 -206563.3604 18153.6156 0.0000 0.0000 34425.9078 -149061.8478 300.6500 -183487.7556 -148970.7958 299.3558 245.8633 275.0026 557782.9588 12.6079 12.6348 PRESSURE: 2821800 -139.297 -135.59 -38.8612 -135.588 -150.867 -80.3727 -38.8616 -80.3718 -111.886 GPRESSURE: 2821800 -29.9878 -90.1487 -82.5798 -202.559 -200.635 -39.6302 -77.5222 -116.415 -68.3217 PRESSAVG: 2821800 32.3232 -5.2188 -34.1847 -5.21875 -25.9541 0.803681 -34.1846 0.803714 -20.436 GPRESSAVG: 2821800 34.1315 -4.87758 -34.1347 -5.26569 -26.9676 -0.586218 -36.4249 2.17018 -21.3297 TIMING: 2821800 CPU: 8415.46, 0.00300231/step Wall: 8415.46, 0.00300231/step, 1.81657 hours remaining, 207.628906 MB of memory in use. ENERGY: 2821800 790.9327 2088.8151 1926.4014 105.6007 -205790.7618 17616.6391 0.0000 0.0000 34254.0278 -149008.3451 299.1489 -183262.3729 -148916.9101 299.9127 -134.0166 -99.6483 557565.7187 -4.6890 -4.7219 PRESSURE: 2822000 100.462 69.4418 -70.7852 69.4418 -108.738 -67.6151 -70.7838 -67.6143 -118.855 GPRESSURE: 2822000 90.6361 106.367 -70.6474 5.98475 -44.4977 -4.0832 47.1681 -48.7047 -77.4974 PRESSAVG: 2822000 105.054 2.00812 -34.505 2.00808 -52.146 1.65177 -34.5049 1.6518 -71.9965 GPRESSAVG: 2822000 104.11 3.56994 -34.4726 1.62616 -51.3539 3.60935 -32.7162 1.60382 -71.9636 TIMING: 2822000 CPU: 8416.06, 0.0029729/step Wall: 8416.06, 0.0029729/step, 1.79861 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: 2822000 746.3612 2071.4718 1937.4131 109.0932 -206199.7062 17811.3873 0.0000 0.0000 34332.4062 -149191.5735 299.8334 -183523.9796 -149080.5742 299.7300 -42.3767 -10.4530 558102.1053 -6.3628 -6.4025 PRESSURE: 2822200 -233.926 108.496 -75.9178 108.495 49.1637 -40.727 -75.9174 -40.7268 -464.231 GPRESSURE: 2822200 -173.534 107.526 -63.8503 96.3234 44.1489 31.45 -122.301 -85.6356 -418.609 PRESSAVG: 2822200 -3.41423 -36.7177 -4.12485 -36.7176 49.6982 -20.1537 -4.12482 -20.1537 -54.4011 GPRESSAVG: 2822200 -2.22778 -37.7747 -4.26273 -35.5841 47.7049 -23.2025 -2.96783 -19.5482 -53.8146 TIMING: 2822200 CPU: 8416.66, 0.00300019/step Wall: 8416.66, 0.00300019/step, 1.81495 hours remaining, 207.628906 MB of memory in use. ENERGY: 2822200 756.2334 2032.7455 1942.1650 109.5522 -205992.7245 17534.0704 0.0000 0.0000 34354.7463 -149263.2118 300.0285 -183617.9581 -149166.1112 299.5742 -216.3310 -182.6647 558306.5887 -2.7057 -2.7792 PRESSURE: 2822400 -135.402 -101.858 64.1118 -101.859 239.593 0.169748 64.1129 0.169443 13.2082 GPRESSURE: 2822400 -84.2462 -107.16 49.9202 -126.433 251.185 33.0272 111.645 -6.18432 46.0901 PRESSAVG: 2822400 16.7663 -49.8548 3.97974 -49.8548 8.94524 -50.7755 3.97978 -50.7756 -1.04087 GPRESSAVG: 2822400 14.5498 -51.2859 3.3932 -49.7173 11.9875 -49.8097 3.86035 -50.0998 -1.79864 TIMING: 2822400 CPU: 8417.26, 0.00298239/step Wall: 8417.26, 0.00298239/step, 1.80401 hours remaining, 207.628906 MB of memory in use. ENERGY: 2822400 765.4649 2070.3509 1945.9243 111.9671 -206582.5215 17909.5710 0.0000 0.0000 34308.2318 -149471.0115 299.6223 -183779.2433 -149378.3568 298.3062 39.1329 71.0095 557622.0638 8.2236 8.2462 PRESSURE: 2822600 -104.351 27.2222 -59.6482 27.2215 143.305 -57.9292 -59.6482 -57.9296 32.3601 GPRESSURE: 2822600 -89.4327 -11.4633 -52.9978 81.3152 156.203 -84.866 -124.713 -3.39974 100.143 PRESSAVG: 2822600 40.4569 -3.73179 -16.675 -3.73186 -35.7816 -30.7176 -16.675 -30.7177 -8.47237 GPRESSAVG: 2822600 41.3549 -2.63724 -15.983 -3.84002 -36.5398 -32.0871 -18.4102 -29.5964 -8.50462 TIMING: 2822600 CPU: 8417.86, 0.00299751/step Wall: 8417.86, 0.00299751/step, 1.81299 hours remaining, 207.628906 MB of memory in use. ENERGY: 2822600 740.3416 2137.5063 1985.7798 113.2338 -206421.4316 17975.1998 0.0000 0.0000 34058.4957 -149410.8746 297.4413 -183469.3703 -149314.2271 298.1269 23.7713 55.6378 558870.8723 -1.2657 -1.2298 PRESSURE: 2822800 25.6364 76.6155 32.4212 76.6151 -177.715 82.484 32.4213 82.4844 -28.8471 GPRESSURE: 2822800 60.7545 99.7615 3.77374 116.439 -106.782 90.9678 24.9246 -21.6936 -41.1123 PRESSAVG: 2822800 -10.8969 87.6444 -0.25166 87.6444 -4.75556 -18.3088 -0.251649 -18.3089 22.8021 GPRESSAVG: 2822800 -11.8241 87.1425 0.360858 86.5581 -4.14905 -16.2353 1.82377 -19.7588 22.7217 TIMING: 2822800 CPU: 8418.46, 0.00302806/step Wall: 8418.46, 0.00302806/step, 1.8313 hours remaining, 207.628906 MB of memory in use. ENERGY: 2822800 785.6966 2027.5830 1958.5918 112.6625 -206255.2133 17735.0827 0.0000 0.0000 34146.1507 -149489.4460 298.2068 -183635.5967 -149397.9977 298.4715 -60.3084 -29.0466 557823.2512 2.3832 2.2495 PRESSURE: 2823000 157.771 265.832 -46.0377 265.832 178.339 68.3942 -46.0374 68.3928 217.415 GPRESSURE: 2823000 200.497 257.144 -17.6865 284.856 202.46 44.9632 -51.2403 108.901 243.496 PRESSAVG: 2823000 31.5278 52.6446 -1.95828 52.6447 -38.3959 14.8448 -1.9583 14.8449 -10.195 GPRESSAVG: 2823000 31.2085 52.3638 -0.402433 55.1375 -40.309 15.8631 -4.85104 15.9369 -8.39127 TIMING: 2823000 CPU: 8419.06, 0.00299518/step Wall: 8419.06, 0.00299518/step, 1.81125 hours remaining, 207.628906 MB of memory in use. ENERGY: 2823000 731.2752 2099.0596 1948.3345 108.5936 -206237.3276 17843.4342 0.0000 0.0000 34172.2787 -149334.3517 298.4350 -183506.6304 -149243.5160 298.0478 184.5081 215.4844 555491.6468 -5.6877 -5.8306 PRESSURE: 2823200 32.893 138.374 95.4409 138.374 59.2805 55.1419 95.441 55.1417 -48.5999 GPRESSURE: 2823200 9.76409 54.266 56.7932 179.817 137.524 -48.849 147.83 88.3997 -3.42255 PRESSAVG: 2823200 12.5521 58.8416 -16.3097 58.8417 -12.0714 -1.10134 -16.3097 -1.10141 -14.353 GPRESSAVG: 2823200 11.6956 59.7619 -19.6092 53.2878 -9.1252 -1.41921 -15.1616 -4.29211 -16.4501 TIMING: 2823200 CPU: 8419.67, 0.00303011/step Wall: 8419.67, 0.00303011/step, 1.83221 hours remaining, 207.628906 MB of memory in use. ENERGY: 2823200 744.9107 2137.1579 1946.5631 119.3419 -206603.3375 17845.8535 0.0000 0.0000 34353.2931 -149456.2173 300.0159 -183809.5104 -149360.0979 298.2200 14.5245 47.9551 555948.4636 -4.6241 -4.6266 PRESSURE: 2823400 9.38654 71.6299 -5.54745 71.6305 -288.928 -11.9351 -5.54766 -11.9351 -161.212 GPRESSURE: 2823400 3.9693 -8.71539 2.75247 55.4601 -270.096 29.0806 -63.9609 -50.9538 -69.7476 PRESSAVG: 2823400 55.6073 40.6793 -44.7392 40.6793 42.6792 -39.8873 -44.7392 -39.8874 -75.4787 GPRESSAVG: 2823400 57.1152 37.7467 -44.081 44.9723 40.2836 -41.7586 -43.9088 -37.1022 -74.8411 TIMING: 2823400 CPU: 8420.26, 0.00298948/step Wall: 8420.26, 0.00298948/step, 1.80747 hours remaining, 207.628906 MB of memory in use. ENERGY: 2823400 770.8519 2133.5769 1926.2866 101.3879 -205946.4699 17609.5006 0.0000 0.0000 34119.9869 -149284.8790 297.9783 -183404.8659 -149186.2723 298.7582 -146.9178 -111.9580 557034.7458 7.6026 7.5193 PRESSURE: 2823600 76.6125 178.406 -23.1821 178.407 -210.24 -135.346 -23.1836 -135.345 26.0952 GPRESSURE: 2823600 118.284 146.794 -84.4138 254.757 -198.279 -127.005 -3.35518 -94.9137 81.5152 PRESSAVG: 2823600 -20.4057 21.1361 -5.2456 21.1361 14.296 43.4747 -5.24565 43.4748 2.61814 GPRESSAVG: 2823600 -20.2413 22.08 -6.75053 21.5532 13.1564 42.7487 -3.8639 44.0542 3.23849 TIMING: 2823600 CPU: 8420.86, 0.00300401/step Wall: 8420.86, 0.00300401/step, 1.81609 hours remaining, 207.628906 MB of memory in use. ENERGY: 2823600 766.0628 2133.3051 1963.9192 120.3953 -206060.4665 17752.7419 0.0000 0.0000 34402.6194 -148921.4228 300.4466 -183324.0422 -148827.7558 299.9558 -35.8441 0.5069 556462.9335 -1.1638 -1.2822 PRESSURE: 2823800 -268.225 -61.6142 -51.6663 -61.6145 -283.519 86.6433 -51.6666 86.6457 -285.439 GPRESSURE: 2823800 -238.185 -125.059 -95.8249 61.7261 -251.981 69.458 -49.1094 78.0482 -237.486 PRESSAVG: 2823800 -59.1146 26.2733 4.71761 26.2732 33.5164 38.5531 4.71776 38.5532 16.287 GPRESSAVG: 2823800 -59.5198 26.0653 8.06027 26.2076 34.8453 42.125 0.88399 36.9603 14.9753 TIMING: 2823800 CPU: 8421.47, 0.00302656/step Wall: 8421.47, 0.00302656/step, 1.82956 hours remaining, 207.628906 MB of memory in use. ENERGY: 2823800 757.1116 2120.6850 1955.3294 105.0165 -205642.8328 17384.6786 0.0000 0.0000 34510.8686 -148809.1431 301.3920 -183320.0117 -148715.4800 300.7014 -279.0611 -242.5508 557906.1590 -3.1037 -3.2331 PRESSURE: 2824000 80.0076 27.561 74.8304 27.5614 -205.938 -16.3964 74.8313 -16.3951 -305.694 GPRESSURE: 2824000 130.403 -35.9462 185.813 76.8014 -184.381 49.6635 -29.504 25.4301 -284.897 PRESSAVG: 2824000 -3.47385 1.52571 8.58331 1.52571 24.3904 50.372 8.58335 50.3721 -34.3352 GPRESSAVG: 2824000 -3.73102 3.3389 9.63946 0.249554 24.3379 46.7317 9.40015 52.8523 -34.5103 TIMING: 2824000 CPU: 8422.07, 0.0030171/step Wall: 8422.07, 0.0030171/step, 1.82367 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: 2824000 759.7573 2026.6435 1960.8316 103.0373 -205912.7765 17652.4239 0.0000 0.0000 34371.6055 -149038.4773 300.1758 -183410.0828 -148941.8914 299.6720 -143.8747 -112.9581 556941.3121 -4.4729 -4.6345 PRESSURE: 2824200 -91.3252 255.463 -122.585 255.462 -7.94167 22.2651 -122.585 22.266 110.004 GPRESSURE: 2824200 -58.7186 321.89 -45.3411 236.556 2.02551 -17.0816 -125.291 20.4874 168.28 PRESSAVG: 2824200 30.7624 -11.0786 -20.7951 -11.0786 41.9902 2.67677 -20.7952 2.67677 -16.7565 GPRESSAVG: 2824200 31.2395 -9.87238 -20.9635 -12.1234 41.6707 4.66163 -20.4497 0.567276 -17.4521 TIMING: 2824200 CPU: 8422.68, 0.00300956/step Wall: 8422.68, 0.00300956/step, 1.81894 hours remaining, 207.628906 MB of memory in use. ENERGY: 2824200 748.4834 2089.0540 1931.5401 113.0349 -205972.3810 17920.7933 0.0000 0.0000 34048.7218 -149120.7536 297.3560 -183169.4754 -149033.2511 299.7520 3.5789 37.1957 557497.1152 18.6654 18.4860 LDB: ============= START OF LOAD BALANCING ============== 8426.1 LDB: ============== END OF LOAD BALANCING =============== 8426.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8426.1 LDB: ============= START OF LOAD BALANCING ============== 8426.4 LDB: Largest compute 4821 load 0.029349 is 24.9% of average load 0.117980 LDB: Average compute 0.001747 is 1.5% of average load 0.117980 LDB: TIME 8426.41 LOAD: AVG 0.11798 MAX 0.21024 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 8426.41 LOAD: AVG 0.11798 MAX 0.21024 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 8426.41 LOAD: AVG 0.11798 MAX 0.21024 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: ============== END OF LOAD BALANCING =============== 8426.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8426.41 PRESSURE: 2824400 -37.2028 64.0313 -169.103 64.0319 -99.4873 53.7357 -169.105 53.7353 -118.33 GPRESSURE: 2824400 -20.8984 48.9883 -146.58 13.5595 -23.746 60.2388 -178.353 2.10444 -98.9582 PRESSAVG: 2824400 30.0046 42.6063 -19.3881 42.6063 23.5426 25.6809 -19.3881 25.6811 -49.8696 GPRESSAVG: 2824400 30.6761 40.7862 -21.8027 44.0795 23.4633 26.8984 -19.2429 26.0117 -50.7567 TIMING: 2824400 CPU: 8423.28, 0.00303951/step Wall: 8423.28, 0.00303951/step, 1.83688 hours remaining, 206.000000 MB of memory in use. ENERGY: 2824400 755.5737 2114.3097 1912.3980 110.6529 -206269.6460 17740.1543 0.0000 0.0000 34339.2481 -149297.3092 299.8932 -183636.5573 -149205.8174 298.9811 -85.0066 -47.8675 556913.6594 1.2259 1.1275 PRESSURE: 2824600 -110.065 47.6389 -115.668 47.6388 -93.2296 58.0387 -115.669 58.0389 136.787 GPRESSURE: 2824600 -82.015 36.0392 -90.6888 33.336 -53.1085 43.6169 -193.543 99.0535 151.316 PRESSAVG: 2824600 7.61161 -31.4543 -51.6897 -31.4542 -39.9324 9.05237 -51.6898 9.05233 50.1126 GPRESSAVG: 2824600 5.55161 -30.453 -51.0437 -33.7763 -40.1002 8.43988 -51.8617 8.28577 51.2384 TIMING: 2824600 CPU: 8423.88, 0.0029791/step Wall: 8423.88, 0.0029791/step, 1.80021 hours remaining, 206.000000 MB of memory in use. ENERGY: 2824600 730.2256 2076.2961 1931.3872 115.2549 -206488.0187 17803.4167 0.0000 0.0000 34455.7800 -149375.6582 300.9109 -183831.4382 -149282.9021 299.0371 -22.1694 5.3976 557837.8997 5.9306 5.5633 PRESSURE: 2824800 -159.167 27.8775 15.2633 27.877 -110.941 46.9872 15.2631 46.9873 120.063 GPRESSURE: 2824800 -63.1359 -48.5284 1.61984 74.6287 -102.131 91.578 39.7744 82.497 114.421 PRESSAVG: 2824800 31.0953 -1.17425 -1.84919 -1.17421 -59.2037 8.83825 -1.84919 8.83818 -14.1755 GPRESSAVG: 2824800 31.9019 -3.80673 -3.20198 1.99074 -58.4312 9.6273 -3.09128 10.0161 -14.9547 TIMING: 2824800 CPU: 8424.48, 0.00299611/step Wall: 8424.48, 0.00299611/step, 1.81032 hours remaining, 206.000000 MB of memory in use. ENERGY: 2824800 782.2561 2081.5647 1928.4806 105.5483 -206265.7619 17763.4034 0.0000 0.0000 34525.8639 -149078.6449 301.5230 -183604.5088 -148973.1376 299.0565 -50.0151 -16.9485 558320.2638 -14.0946 -13.8280 PRESSURE: 2825000 97.5514 -24.8915 62.305 -24.8905 98.5052 43.5742 62.3041 43.5724 -99.8876 GPRESSURE: 2825000 135.585 -55.4134 10.7096 16.7427 121.201 42.6692 162.037 48.0668 -76.3195 PRESSAVG: 2825000 6.00173 -3.83087 13.1043 -3.83086 -50.027 6.51559 13.1042 6.51539 50.4316 GPRESSAVG: 2825000 6.68196 -4.7761 13.9928 -3.04833 -49.8851 7.62944 12.1824 5.11524 49.9098 TIMING: 2825000 CPU: 8425.08, 0.00301037/step Wall: 8425.08, 0.00301037/step, 1.81877 hours remaining, 206.000000 MB of memory in use. ENERGY: 2825000 719.4928 2128.7931 1956.4143 113.7202 -205945.9801 17847.7581 0.0000 0.0000 34048.3072 -149131.4943 297.3523 -183179.8015 -149031.6949 299.5110 32.0563 60.1556 558652.4378 2.1355 2.2355 PRESSURE: 2825200 112.122 59.6269 64.6106 59.6269 45.5716 -149.041 64.6112 -149.039 29.7607 GPRESSURE: 2825200 136.791 112.516 -29.8988 127.193 75.9735 -105.168 91.6009 -124.921 62.6114 PRESSAVG: 2825200 24.9007 -35.0686 20.4218 -35.0685 -51.139 39.761 20.4218 39.761 18.7556 GPRESSAVG: 2825200 23.0333 -34.2821 16.8526 -36.0587 -50.7998 38.6673 23.4326 41.2048 20.0847 TIMING: 2825200 CPU: 8425.68, 0.00300856/step Wall: 8425.68, 0.00300856/step, 1.8175 hours remaining, 206.000000 MB of memory in use. ENERGY: 2825200 762.1211 2016.2511 1951.5124 113.0934 -206135.8066 17934.1192 0.0000 0.0000 34224.5362 -149134.1732 298.8914 -183358.7094 -149036.0060 299.2311 62.4846 91.7920 558181.6227 -2.4943 -2.5606 PRESSURE: 2825400 -39.9412 25.4169 76.2467 25.4159 128.694 92.224 76.246 92.2231 -56.9774 GPRESSURE: 2825400 -27.8505 92.0156 25.615 -17.6385 130.344 91.3878 20.8716 114.731 16.1478 PRESSAVG: 2825400 2.03824 -6.36058 21.4462 -6.36058 -41.8926 55.8069 21.4462 55.8069 48.819 GPRESSAVG: 2825400 4.20647 -3.72845 23.6927 -7.94699 -43.7519 57.0455 23.0647 55.2774 48.4995 TIMING: 2825400 CPU: 8426.29, 0.0030452/step Wall: 8426.29, 0.0030452/step, 1.83947 hours remaining, 206.000000 MB of memory in use. ENERGY: 2825400 752.4840 2126.2569 1966.1620 108.3753 -206143.9457 17821.9516 0.0000 0.0000 34331.2002 -149037.5157 299.8229 -183368.7160 -148949.1827 299.1570 10.5917 39.5471 557818.8513 2.9882 2.9847 PRESSURE: 2825600 49.5408 120.652 109.33 120.651 42.3778 -97.7183 109.329 -97.7199 -0.839415 GPRESSURE: 2825600 74.7344 -32.3833 31.1963 229.873 68.7571 -161.76 149.713 -97.7461 37.9349 PRESSAVG: 2825600 6.91481 -31.0907 49.1156 -31.0907 -52.2905 42.4627 49.1156 42.4626 29.4633 GPRESSAVG: 2825600 5.88473 -32.7378 49.1236 -29.6819 -52.6553 40.7672 47.0278 44.6187 30.4183 TIMING: 2825600 CPU: 8426.89, 0.00301997/step Wall: 8426.89, 0.00301997/step, 1.82406 hours remaining, 206.000000 MB of memory in use. ENERGY: 2825600 737.1022 2024.7548 1946.5702 102.6438 -205935.0830 17746.9226 0.0000 0.0000 34164.5701 -149212.5193 298.3677 -183377.0894 -149111.3974 299.8941 30.3597 60.4754 557822.6926 -5.3041 -5.4508 PRESSURE: 2825800 -201.419 66.3495 17.7967 66.3493 90.7243 -215.085 17.7966 -215.083 -163.534 GPRESSURE: 2825800 -162.1 122.325 20.8443 100.907 127.276 -132.365 5.15725 -249.334 -137.428 PRESSAVG: 2825800 -21.1769 -11.1551 -24.117 -11.1551 -36.038 2.81474 -24.1169 2.81479 68.5943 GPRESSAVG: 2825800 -20.753 -10.1388 -24.3507 -9.78141 -35.0393 4.23858 -22.238 -0.225107 67.1643 TIMING: 2825800 CPU: 8427.5, 0.00302095/step Wall: 8427.5, 0.00302095/step, 1.82449 hours remaining, 206.000000 MB of memory in use. ENERGY: 2825800 721.2203 2057.1525 1922.9608 103.7150 -205764.9188 17431.5987 0.0000 0.0000 34339.0711 -149189.2004 299.8916 -183528.2716 -149095.2765 298.9536 -91.4095 -57.4174 556778.2356 3.7931 3.7907 PRESSURE: 2826000 -75.1431 93.7763 148.534 93.7758 -239.819 11.3161 148.534 11.3176 132.792 GPRESSURE: 2826000 -66.8158 111.989 103.342 70.542 -148.265 33.4954 134.62 -9.90052 132.031 PRESSAVG: 2826000 -67.9154 29.0649 18.4532 29.0649 52.5972 -34.1728 18.4531 -34.1729 44.4541 GPRESSAVG: 2826000 -67.4873 29.03 18.8595 26.4586 52.7954 -36.899 17.5174 -32.217 44.3209 TIMING: 2826000 CPU: 8428.1, 0.00300433/step Wall: 8428.1, 0.00300433/step, 1.81428 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: 2826000 756.7773 2115.4108 1951.5584 113.0730 -206107.9737 17798.2161 0.0000 0.0000 34139.8136 -149233.1246 298.1515 -183372.9381 -149138.8700 299.6553 -60.7234 -27.6832 556926.2456 9.7120 9.8763 PRESSURE: 2826200 -32.0895 -74.867 -187.87 -74.8673 226.196 -31.9501 -187.87 -31.9505 -212.762 GPRESSURE: 2826200 16.2291 -63.6268 -157.77 -28.9573 219.24 -28.3032 -89.2399 8.85743 -140.551 PRESSAVG: 2826200 -6.77402 34.2023 21.2312 34.2023 50.7645 33.3251 21.2312 33.3251 5.62781 GPRESSAVG: 2826200 -7.68048 32.5857 21.3429 34.0654 50.4015 34.5744 20.9665 34.0766 6.90476 TIMING: 2826200 CPU: 8428.7, 0.00299194/step Wall: 8428.7, 0.00299194/step, 1.80664 hours remaining, 206.070312 MB of memory in use. ENERGY: 2826200 739.8623 2036.2330 1953.0462 108.3019 -206247.3812 17804.1809 0.0000 0.0000 34268.4228 -149337.3341 299.2747 -183605.7569 -149238.9683 299.2961 -6.2184 31.6393 556096.2549 16.5394 16.5419 PRESSURE: 2826400 260.345 -51.8021 -64.0322 -51.8011 146.972 189.107 -64.0323 189.107 6.25748 GPRESSURE: 2826400 300.312 -83.9469 -56.4304 -1.54802 160.196 108.907 25.4948 228.625 54.758 PRESSAVG: 2826400 -35.3833 15.5561 -50.3384 15.5561 -5.88573 67.4428 -50.3383 67.4427 10.6361 GPRESSAVG: 2826400 -35.6525 17.0997 -48.5351 16.6319 -5.17393 68.213 -49.7359 65.5317 10.0602 TIMING: 2826400 CPU: 8429.3, 0.00300258/step Wall: 8429.3, 0.00300258/step, 1.81289 hours remaining, 206.070312 MB of memory in use. ENERGY: 2826400 732.5728 2054.7668 1977.7389 120.0245 -206667.1386 18047.1430 0.0000 0.0000 34154.8692 -149580.0234 298.2830 -183734.8926 -149486.8976 298.0258 137.8580 171.7554 555726.2793 -10.2110 -10.2554 PRESSURE: 2826600 -222.692 39.3699 27.5067 39.3702 -364.746 130.678 27.5065 130.678 -36.9353 GPRESSURE: 2826600 -196.485 -14.1482 -51.4365 -10.7622 -282.418 174.297 68.2222 129.233 -59.2652 PRESSAVG: 2826600 9.11839 10.8273 25.5191 10.8272 -29.0296 33.3567 25.519 33.3569 5.98631 GPRESSAVG: 2826600 10.2667 9.46753 24.0348 11.4564 -30.0675 30.9466 25.8024 35.9924 6.3094 TIMING: 2826600 CPU: 8429.9, 0.00300789/step Wall: 8429.9, 0.00300789/step, 1.81593 hours remaining, 206.273438 MB of memory in use. ENERGY: 2826600 740.9515 2063.4846 1966.2311 123.5653 -205985.0695 17508.5731 0.0000 0.0000 33900.2934 -149681.9705 296.0597 -183582.2639 -149583.4551 298.3857 -208.1243 -179.3895 556077.9610 -4.6416 -4.4971 PRESSURE: 2826800 -44.8512 -37.9586 -27.7272 -37.9588 217.918 20.7273 -27.7259 20.7278 -37.4153 GPRESSURE: 2826800 -2.27969 -96.0642 -14.3198 36.2229 253.947 -25.5806 -72.2669 98.125 -28.5675 PRESSAVG: 2826800 -15.6498 -20.1166 -41.4573 -20.1167 50.057 67.6051 -41.4572 67.6052 -14.8472 GPRESSAVG: 2826800 -16.2104 -18.5315 -41.21 -20.7008 49.4907 68.1141 -43.2822 67.0619 -13.7122 TIMING: 2826800 CPU: 8430.5, 0.00301069/step Wall: 8430.5, 0.00301069/step, 1.81745 hours remaining, 206.273438 MB of memory in use. ENERGY: 2826800 709.8220 2070.6273 1935.0010 117.1595 -206525.1880 17852.3662 0.0000 0.0000 34162.8086 -149677.4034 298.3523 -183840.2120 -149580.2759 298.1835 45.2173 74.3666 556356.1939 6.5200 6.5227 PRESSURE: 2827000 169.216 28.4837 -44.4324 28.4827 -44.8595 -238.643 -44.4312 -238.641 50.707 GPRESSURE: 2827000 222.967 -39.1648 4.24765 16.4016 -9.99124 -210.692 2.18629 -197.98 61.6494 PRESSAVG: 2827000 -11.5335 -2.07601 -34.3817 -2.0761 -32.7245 -19.6413 -34.3816 -19.6414 8.42647 GPRESSAVG: 2827000 -12.0305 -4.63933 -33.8227 -1.7298 -31.6367 -17.5236 -33.3249 -20.4436 7.63722 TIMING: 2827000 CPU: 8431.1, 0.0030078/step Wall: 8431.1, 0.0030078/step, 1.81554 hours remaining, 206.273438 MB of memory in use. ENERGY: 2827000 720.6616 2056.8726 1934.5209 104.4119 -206424.5378 17788.8672 0.0000 0.0000 34147.8134 -149671.3902 298.2213 -183819.2036 -149569.9767 297.2653 58.3545 91.5419 555913.6033 -11.9439 -12.0100 PRESSURE: 2827200 -42.8884 -136.017 138.632 -136.018 158.958 -18.3318 138.631 -18.3287 102.731 GPRESSURE: 2827200 -18.9838 -110.878 141.031 -135.407 193.279 -83.1018 139.835 -18.8675 148.027 PRESSAVG: 2827200 0.603044 19.9174 81.0194 19.9174 22.9165 -94.2946 81.0194 -94.2946 -3.10549 GPRESSAVG: 2827200 0.268193 21.3628 80.5278 18.1182 23.5656 -95.7867 82.2668 -94.7084 -3.45771 TIMING: 2827200 CPU: 8431.71, 0.00302336/step Wall: 8431.71, 0.00302336/step, 1.82476 hours remaining, 206.273438 MB of memory in use. ENERGY: 2827200 717.5288 2020.1394 1956.8579 121.4298 -206391.6879 17855.8222 0.0000 0.0000 33980.2878 -149739.6219 296.7583 -183719.9097 -149644.7514 297.4339 72.9334 107.4407 556919.2393 6.8047 6.7920 PRESSURE: 2827400 223.303 11.1916 58.3802 11.1921 84.8151 154.733 58.3811 154.733 68.9123 GPRESSURE: 2827400 304.272 -3.08154 37.4061 -34.6376 49.79 193.965 62.9069 173.651 115.872 PRESSAVG: 2827400 55.1308 4.14312 64.1923 4.14304 18.309 30.2753 64.1921 30.2754 -65.3917 GPRESSAVG: 2827400 55.4966 5.6723 64.8542 5.8145 16.4163 31.6556 61.6641 28.908 -63.5793 TIMING: 2827400 CPU: 8432.31, 0.00301144/step Wall: 8432.31, 0.00301144/step, 1.8174 hours remaining, 206.273438 MB of memory in use. ENERGY: 2827400 735.5715 2049.6956 1951.7635 109.9383 -206367.7082 17969.7017 0.0000 0.0000 33966.6602 -149584.3773 296.6393 -183551.0376 -149486.3875 297.9512 125.6767 156.6448 556784.0856 2.6827 2.7778 PRESSURE: 2827600 -70.6442 95.7219 66.7032 95.7223 91.1642 -138.338 66.7031 -138.337 -206.878 GPRESSURE: 2827600 -45.8654 52.0895 -7.12065 105.986 116.031 -229.488 91.0731 -5.19166 -171.509 PRESSAVG: 2827600 -20.9372 12.8739 43.9553 12.8739 19.4592 -24.5936 43.9552 -24.5936 -24.5035 GPRESSAVG: 2827600 -20.5021 10.5741 43.6583 13.8084 20.638 -24.4471 46.1058 -26.8329 -25.4387 TIMING: 2827600 CPU: 8432.91, 0.00300475/step Wall: 8432.91, 0.00300475/step, 1.8132 hours remaining, 206.273438 MB of memory in use. ENERGY: 2827600 725.5414 2135.8609 1941.7344 114.1882 -206591.7391 17825.0752 0.0000 0.0000 34219.5763 -149629.7627 298.8481 -183849.3390 -149530.8977 298.7609 -62.1193 -33.7814 557507.0738 -8.6605 -8.4343 PRESSURE: 2827800 188.071 6.99158 69.0703 6.99245 -48.1083 33.9405 69.0704 33.9423 205.349 GPRESSURE: 2827800 213.738 66.9697 121.003 -69.3675 -11.5239 45.8482 120.399 -58.9319 245.683 PRESSAVG: 2827800 42.6734 -30.6844 16.4451 -30.6844 5.58537 -26.5874 16.445 -26.5875 6.61432 GPRESSAVG: 2827800 43.2353 -29.2389 14.7459 -33.1923 4.41492 -26.0837 18.5272 -25.0624 7.31523 TIMING: 2827800 CPU: 8433.52, 0.00302723/step Wall: 8433.52, 0.00302723/step, 1.82659 hours remaining, 206.273438 MB of memory in use. ENERGY: 2827800 711.9439 2131.0166 1925.9309 112.2121 -206822.7681 18055.8169 0.0000 0.0000 34163.1595 -149722.6883 298.3554 -183885.8478 -149627.5737 297.4107 115.1040 149.2991 556170.1512 18.2910 18.3218 PRESSURE: 2828000 -56.2654 -55.0902 76.5154 -55.0898 -31.8646 -74.1374 76.5152 -74.136 49.686 GPRESSURE: 2828000 23.9889 -71.3232 89.9048 -51.9321 -5.70649 -26.2351 103.98 -103.733 37.2241 PRESSAVG: 2828000 38.4254 49.3624 45.1191 49.3623 -35.2076 5.66941 45.1191 5.66945 2.45539 GPRESSAVG: 2828000 38.9004 46.8171 47.5605 50.8099 -33.6397 6.44423 42.7841 5.01704 0.838383 TIMING: 2828000 CPU: 8434.12, 0.00300942/step Wall: 8434.12, 0.00300942/step, 1.81569 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: 2828000 752.1558 2112.3892 1916.3138 105.0510 -206586.6293 17831.6702 0.0000 0.0000 34334.8092 -149534.2400 299.8544 -183869.0493 -149433.6252 298.2480 -12.8147 18.5022 556950.6443 1.8911 2.0330 PRESSURE: 2828200 46.6138 102.234 -49.4481 102.235 181.496 196.981 -49.4482 196.98 25.2115 GPRESSURE: 2828200 63.6168 141.471 -13.9789 162.97 155.232 254.257 -86.3484 124.228 107.779 PRESSAVG: 2828200 7.45639 25.2902 -27.7053 25.2903 -54.896 49.3256 -27.7054 49.3255 39.3526 GPRESSAVG: 2828200 7.25433 28.0295 -29.0409 24.7601 -54.9302 47.9624 -27.2697 49.4377 39.5421 TIMING: 2828200 CPU: 8434.72, 0.00301258/step Wall: 8434.72, 0.00301258/step, 1.81742 hours remaining, 206.273438 MB of memory in use. ENERGY: 2828200 776.4770 2070.7155 1942.0963 115.7012 -206766.6875 18070.0990 0.0000 0.0000 34343.9943 -149447.6042 299.9346 -183791.5985 -149348.3951 298.6813 84.4404 108.8758 555439.0758 -2.6957 -2.7113 LDB: ============= START OF LOAD BALANCING ============== 8438.16 LDB: ============== END OF LOAD BALANCING =============== 8438.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8438.16 LDB: ============= START OF LOAD BALANCING ============== 8438.46 LDB: Largest compute 4821 load 0.029802 is 25.3% of average load 0.118013 LDB: Average compute 0.001755 is 1.5% of average load 0.118013 LDB: TIME 8438.46 LOAD: AVG 0.118013 MAX 0.205359 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.492 MB LDB: TIME 8438.46 LOAD: AVG 0.118013 MAX 0.205359 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.492 MB LDB: TIME 8438.46 LOAD: AVG 0.118013 MAX 0.205359 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8438.47 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8438.47 PRESSURE: 2828400 -244.545 -68.424 -97.3295 -68.424 -207.251 82.761 -97.3301 82.7609 -77.8259 GPRESSURE: 2828400 -212.013 -100.776 -67.0701 -79.6281 -186.853 67.672 -99.9436 63.4713 -36.49 PRESSAVG: 2828400 90.4936 29.982 -43.7919 29.9822 -74.6744 50.9673 -43.7919 50.9673 -21.411 GPRESSAVG: 2828400 90.2267 30.2582 -43.2242 31.1347 -74.7679 53.0567 -43.9514 51.1751 -20.4572 TIMING: 2828400 CPU: 8435.34, 0.00309982/step Wall: 8435.34, 0.00309982/step, 1.86988 hours remaining, 206.199219 MB of memory in use. ENERGY: 2828400 742.1907 2094.8810 1942.3340 114.5709 -205910.3010 17420.5933 0.0000 0.0000 34106.5637 -149489.1675 297.8611 -183595.7312 -149392.3015 298.1475 -176.5405 -145.1187 558024.6628 -1.8640 -1.6661 PRESSURE: 2828600 -72.7857 -4.09375 115.642 -4.09488 -266.152 0.571295 115.641 0.57237 31.9846 GPRESSURE: 2828600 -25.9381 -40.4734 144.407 69.8257 -295.592 26.8114 212.401 45.984 116.004 PRESSAVG: 2828600 32.796 -5.80204 10.7812 -5.80205 -11.4866 26.4964 10.7812 26.4964 -23.4669 GPRESSAVG: 2828600 33.6804 -6.64498 10.8688 -6.72268 -11.4579 23.8305 11.0456 27.5072 -24.1994 TIMING: 2828600 CPU: 8435.95, 0.00302332/step Wall: 8435.95, 0.00302332/step, 1.82357 hours remaining, 206.199219 MB of memory in use. ENERGY: 2828600 728.7468 2043.2066 1964.9181 118.7066 -206571.3892 17855.5390 0.0000 0.0000 34329.2882 -149530.9837 299.8062 -183860.2720 -149429.9778 299.0764 -102.3176 -68.5086 557589.1340 -0.7192 -0.6590 PRESSURE: 2828800 -20.152 -54.4763 212.019 -54.4749 -141.701 53.5695 212.02 53.5713 -58.2556 GPRESSURE: 2828800 101.819 -156.02 220.082 21.9775 -141 -18.4767 151.9 108.43 -79.6653 PRESSAVG: 2828800 21.0448 30.4303 20.8059 30.4303 -43.036 1.19 20.8059 1.19017 -3.93028 GPRESSAVG: 2828800 19.7074 30.8181 21.4943 30.5295 -42.2993 2.11076 19.0259 0.1791 -3.58119 TIMING: 2828800 CPU: 8436.54, 0.00299193/step Wall: 8436.54, 0.00299193/step, 1.80447 hours remaining, 206.199219 MB of memory in use. ENERGY: 2828800 724.6871 2134.6523 1928.0705 105.8355 -206429.0676 18013.5195 0.0000 0.0000 34152.6422 -149369.6603 298.2635 -183522.3025 -149275.1934 298.9225 -73.3697 -39.6154 559268.8216 -8.6405 -8.7244 PRESSURE: 2829000 77.573 68.2446 -83.0615 68.2445 -116.116 50.9293 -83.0613 50.9302 -286.031 GPRESSURE: 2829000 151.571 133.294 -10.1951 3.49113 -116.91 -18.3886 -59.2984 33.4184 -250.885 PRESSAVG: 2829000 37.8361 82.638 14.8063 82.638 -35.2638 5.01118 14.8063 5.01119 19.8635 GPRESSAVG: 2829000 37.703 83.2599 14.7428 82.1992 -35.0715 2.7937 15.0363 7.89134 19.998 TIMING: 2829000 CPU: 8437.15, 0.00300305/step Wall: 8437.15, 0.00300305/step, 1.811 hours remaining, 206.199219 MB of memory in use. ENERGY: 2829000 707.1281 2032.7220 1952.1746 109.6245 -206310.3719 17740.8236 0.0000 0.0000 34328.7659 -149439.1331 299.8017 -183767.8990 -149339.9795 298.9256 -108.1913 -72.0745 556544.6682 7.4786 7.5432 PRESSURE: 2829200 21.6456 87.6679 -29.9428 87.6673 128.332 193.621 -29.9417 193.622 -17.4905 GPRESSURE: 2829200 50.3597 143.497 -85.5776 72.0649 133.815 191.809 -20.501 131.244 51.6217 PRESSAVG: 2829200 8.53783 7.98967 -29.6622 7.98972 -4.30255 23.5965 -29.6622 23.5964 12.3799 GPRESSAVG: 2829200 9.82376 6.99048 -32.5047 7.77717 -4.73926 26.3246 -27.1466 21.9967 12.2048 TIMING: 2829200 CPU: 8437.75, 0.00301617/step Wall: 8437.75, 0.00301617/step, 1.81875 hours remaining, 206.199219 MB of memory in use. ENERGY: 2829200 732.9798 2053.6300 1926.3504 115.1066 -206480.4810 17942.1940 0.0000 0.0000 34341.3442 -149368.8761 299.9115 -183710.2203 -149277.8662 298.9455 44.1625 78.5989 555488.9038 5.5384 5.7631 PRESSURE: 2829400 -1.61321 300.624 -83.3502 300.624 314.953 118.474 -83.3503 118.474 156.023 GPRESSURE: 2829400 57.4144 259.314 -40.1456 219.906 359.455 184.073 -135.51 105.395 149.494 PRESSAVG: 2829400 -13.0193 72.5441 -23.1874 72.5441 33.395 112.873 -23.1874 112.873 30.3916 GPRESSAVG: 2829400 -13.0983 73.1161 -22.251 73.9703 34.1663 111.335 -24.2374 113.018 29.5419 TIMING: 2829400 CPU: 8438.36, 0.0030331/step Wall: 8438.36, 0.0030331/step, 1.82879 hours remaining, 206.199219 MB of memory in use. ENERGY: 2829400 700.3540 2090.9376 1919.1536 116.1656 -206070.1760 17922.6780 0.0000 0.0000 34096.3522 -149224.5351 297.7719 -183320.8873 -149132.1064 298.4829 156.4543 188.7878 557093.4502 16.9225 16.8700 PRESSURE: 2829600 9.32676 47.4906 -181.607 47.4904 310.001 115.685 -181.607 115.685 -5.28954 GPRESSURE: 2829600 26.6888 34.2983 -156.815 70.9933 359.984 69.3951 -142.745 116.351 6.69372 PRESSAVG: 2829600 10.9571 45.4885 -14.1538 45.4885 2.95744 -3.23635 -14.1538 -3.23628 -51.4613 GPRESSAVG: 2829600 9.48106 45.297 -13.3266 44.1399 3.2576 -5.30682 -13.8959 -2.82433 -50.0115 TIMING: 2829600 CPU: 8438.96, 0.00303514/step Wall: 8438.96, 0.00303514/step, 1.82985 hours remaining, 206.398438 MB of memory in use. ENERGY: 2829600 739.0529 2095.9421 1932.5197 122.9549 -206284.6350 17938.4576 0.0000 0.0000 34053.3987 -149402.3091 297.3968 -183455.7078 -149301.8200 299.1938 104.6793 131.1221 556006.2439 -12.5156 -12.4243 PRESSURE: 2829800 -149.045 193.888 -31.0069 193.889 -63.7419 -4.71043 -31.0058 -4.709 -218.08 GPRESSURE: 2829800 -91.5798 117.598 -32.189 262.778 -39.4227 23.6464 -12.4214 47.2244 -197.107 PRESSAVG: 2829800 24.5586 71.2929 -50.111 71.2929 -11.8758 85.6009 -50.1111 85.6009 13.6199 GPRESSAVG: 2829800 25.2283 70.3731 -49.0513 72.0177 -13.693 86.7811 -50.3263 85.1977 14.4646 TIMING: 2829800 CPU: 8439.56, 0.00299836/step Wall: 8439.56, 0.00299836/step, 1.80751 hours remaining, 206.468750 MB of memory in use. ENERGY: 2829800 745.6458 2110.6908 1925.4506 108.2898 -206065.9480 17602.3103 0.0000 0.0000 34149.8878 -149423.6730 298.2395 -183573.5608 -149328.3334 298.5565 -143.6223 -109.3698 556765.9897 8.7676 8.6666 PRESSURE: 2830000 187.475 -8.6403 -68.4756 -8.63899 -89.2668 -26.5553 -68.4755 -26.5579 64.2741 GPRESSURE: 2830000 161.098 42.369 -23.618 -20.4977 -20.5872 -45.4152 -138.053 -48.7575 138.843 PRESSAVG: 2830000 -2.70539 23.4144 -89.3306 23.4143 3.16655 31.2856 -89.3306 31.2857 -41.2306 GPRESSAVG: 2830000 -3.25101 23.8864 -90.4723 25.5994 4.60613 34.3542 -88.7772 30.3896 -42.2206 TIMING: 2830000 CPU: 8440.17, 0.00301504/step Wall: 8440.17, 0.00301504/step, 1.8174 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: 2830000 715.8094 2075.3855 1931.6527 107.6082 -206320.3334 17753.7357 0.0000 0.0000 34441.4021 -149294.7399 300.7853 -183736.1419 -149197.7889 298.3737 54.1607 93.1179 556859.1849 -13.5898 -13.6218 PRESSURE: 2830200 -123.147 -67.6398 -145.169 -67.6401 23.1342 163.317 -145.17 163.316 -292.757 GPRESSURE: 2830200 -64.391 -112.465 -97.0194 -36.0721 31.3518 226.572 -165.134 100.323 -266.487 PRESSAVG: 2830200 -17.3545 -22.5371 -14.9219 -22.5371 37.7388 -32.2861 -14.9218 -32.2861 -11.1691 GPRESSAVG: 2830200 -17.2539 -22.6399 -11.9714 -24.0787 36.7092 -34.3347 -18.2047 -31.5016 -10.6633 TIMING: 2830200 CPU: 8440.77, 0.00302759/step Wall: 8440.77, 0.00302759/step, 1.8248 hours remaining, 206.468750 MB of memory in use. ENERGY: 2830200 768.9306 2074.2246 1921.6712 117.6383 -205970.4823 17624.2295 0.0000 0.0000 34239.8034 -149223.9846 299.0247 -183463.7880 -149126.0185 298.5384 -130.9234 -99.8420 558762.1924 3.0718 2.9306 PRESSURE: 2830400 4.29883 -81.9736 -99.0146 -81.9732 -100.464 -85.223 -99.0149 -85.2227 4.80215 GPRESSURE: 2830400 -3.03157 -94.9913 -101.192 -87.6065 -25.9049 -124.505 -74.1591 -111.019 19.8389 PRESSAVG: 2830400 32.0602 -73.0185 18.5995 -73.0185 19.1226 34.5523 18.5995 34.5523 -31.5417 GPRESSAVG: 2830400 32.3699 -72.3638 14.7732 -74.2587 19.6855 34.2995 20.5019 35.17 -32.2667 TIMING: 2830400 CPU: 8441.38, 0.00302782/step Wall: 8441.38, 0.00302782/step, 1.82477 hours remaining, 206.468750 MB of memory in use. ENERGY: 2830400 738.4927 2125.0898 1931.0813 111.7749 -205628.4883 17557.4035 0.0000 0.0000 34168.5992 -148996.0468 298.4029 -183164.6460 -148896.1419 299.0718 -30.4545 -3.0325 557622.2949 6.5470 6.5962 PRESSURE: 2830600 -146.144 213.059 -131.716 213.057 197.508 -41.675 -131.717 -41.6751 156.52 GPRESSURE: 2830600 -48.3557 295.01 -90.5067 258.428 182.464 -61.4069 -120.57 -8.28238 173.814 PRESSAVG: 2830600 -26.1715 -70.0155 -16.5911 -70.0156 25.8475 -12.1061 -16.5912 -12.1062 -30.6006 GPRESSAVG: 2830600 -25.8227 -70.6296 -15.0875 -67.6923 26.1629 -10.2061 -16.394 -11.5091 -31.1481 TIMING: 2830600 CPU: 8441.98, 0.00301304/step Wall: 8441.98, 0.00301304/step, 1.81569 hours remaining, 206.468750 MB of memory in use. ENERGY: 2830600 765.8545 2140.9607 1935.4577 108.0164 -206523.6043 18052.4318 0.0000 0.0000 34425.3457 -149095.5374 300.6451 -183520.8831 -149005.4525 300.2792 69.2947 102.6405 558813.1976 -10.3082 -10.2693 PRESSURE: 2830800 -107.79 47.7113 266.872 47.7104 153.433 -81.6028 266.872 -81.6008 66.3177 GPRESSURE: 2830800 -68.0179 65.177 285.894 5.95846 229.239 -91.7995 277.141 -44.8901 46.1203 PRESSAVG: 2830800 4.2832 9.57064 11.779 9.57052 30.9117 2.57447 11.779 2.57442 -25.6156 GPRESSAVG: 2830800 3.82398 9.81536 13.2788 8.90577 30.0836 -0.0825081 13.1406 2.19226 -24.6703 TIMING: 2830800 CPU: 8442.58, 0.00302752/step Wall: 8442.58, 0.00302752/step, 1.82425 hours remaining, 206.468750 MB of memory in use. ENERGY: 2830800 716.8177 2056.5608 1955.3208 117.9705 -205894.4699 17748.5741 0.0000 0.0000 34143.5306 -149155.6955 298.1839 -183299.2260 -149063.2089 299.4125 37.3203 69.1139 559126.8469 3.1931 3.0791 PRESSURE: 2831000 -170.763 -161.783 -76.3292 -161.782 141.466 168.87 -76.3291 168.871 -111.788 GPRESSURE: 2831000 -124.931 -203.923 -80.6369 -84.0117 164.623 237.355 -10.95 212.568 -78.1443 PRESSAVG: 2831000 -13.287 6.59771 29.2773 6.59767 93.9052 17.7164 29.2773 17.7164 1.33009 GPRESSAVG: 2831000 -12.5143 5.89382 27.8496 7.63543 94.9894 17.8092 29.5826 18.3879 -0.550081 TIMING: 2831000 CPU: 8443.19, 0.00304992/step Wall: 8443.19, 0.00304992/step, 1.83758 hours remaining, 206.468750 MB of memory in use. ENERGY: 2831000 759.7224 2020.6765 1926.6998 110.8253 -206084.3131 17802.1760 0.0000 0.0000 34154.8468 -149309.3662 298.2828 -183464.2131 -149205.7713 299.8884 -47.0282 -12.8176 558510.4249 27.3161 27.3084 PRESSURE: 2831200 -32.398 -95.6239 26.3799 -95.6239 -193.398 70.1563 26.3808 70.1568 -64.177 GPRESSURE: 2831200 -31.6892 -31.4541 16.0979 -104.842 -116.96 60.9009 12.4053 96.7195 -51.9844 PRESSAVG: 2831200 -6.39782 -18.7922 8.75664 -18.7923 10.7543 63.9819 8.7567 63.9819 11.4784 GPRESSAVG: 2831200 -7.56655 -18.7406 8.71959 -18.6754 10.9014 65.6939 6.37277 63.6417 12.576 TIMING: 2831200 CPU: 8443.8, 0.00303403/step Wall: 8443.8, 0.00303403/step, 1.82784 hours remaining, 206.468750 MB of memory in use. ENERGY: 2831200 758.7825 2082.5438 1923.1059 95.3156 -206335.0183 17900.5990 0.0000 0.0000 34270.1608 -149304.5108 299.2898 -183574.6716 -149206.3223 299.5297 -96.6575 -66.8780 558981.4841 5.2783 5.3036 PRESSURE: 2831400 -29.6298 -75.0175 -11.3667 -75.0178 -58.8381 -74.9962 -11.3668 -74.9985 -160.524 GPRESSURE: 2831400 -10.8693 -60.9702 -30.1219 -152.386 -4.9204 12.7477 16.9536 -133.479 -125.268 PRESSAVG: 2831400 -16.7575 -11.5 18.7697 -11.5 5.34603 15.5055 18.7698 15.5056 15.4044 GPRESSAVG: 2831400 -16.5297 -12.5039 18.854 -12.3585 4.3933 15.7674 18.9659 16.7381 16.1033 TIMING: 2831400 CPU: 8444.41, 0.00304651/step Wall: 8444.41, 0.00304651/step, 1.83519 hours remaining, 206.468750 MB of memory in use. ENERGY: 2831400 795.4122 2103.2839 1946.8734 106.8931 -206427.4217 17891.1229 0.0000 0.0000 34066.4687 -149517.3674 297.5109 -183583.8361 -149418.8800 298.8269 -82.9973 -47.0192 558531.4298 1.3310 1.3223 PRESSURE: 2831600 -97.5627 46.4644 -120.471 46.4649 -45.4054 218.754 -120.469 218.755 -111.534 GPRESSURE: 2831600 -46.53 104.059 -138.292 -4.22861 -23.4025 199.325 -37.5125 226.233 -92.9715 PRESSAVG: 2831600 -39.5046 -30.5159 1.81541 -30.5159 57.5061 78.0706 1.81539 78.0707 13.6612 GPRESSAVG: 2831600 -39.5984 -29.1323 1.88565 -30.243 57.3274 76.6497 1.67108 76.4382 14.0124 TIMING: 2831600 CPU: 8445.01, 0.00301148/step Wall: 8445.01, 0.00301148/step, 1.81391 hours remaining, 206.468750 MB of memory in use. ENERGY: 2831600 733.8669 2072.8648 1930.1153 120.1594 -206096.4914 17768.6215 0.0000 0.0000 34280.0553 -149190.8082 299.3762 -183470.8635 -149096.5159 298.3248 -84.8339 -54.3013 558485.1397 10.5542 10.5805 PRESSURE: 2831800 7.48219 -52.7602 -85.5551 -52.7598 89.0233 44.5906 -85.5546 44.5889 -293.221 GPRESSURE: 2831800 53.1195 82.4986 -148.953 -49.4243 108.735 -40.4467 -131.141 109.849 -263.277 PRESSAVG: 2831800 1.21991 -34.1492 23.2057 -34.1492 61.617 38.425 23.2056 38.4249 -32.3008 GPRESSAVG: 2831800 2.02347 -32.9679 23.5544 -32.5915 61.0254 38.4201 23.7702 39.6978 -32.0731 TIMING: 2831800 CPU: 8445.62, 0.00301906/step Wall: 8445.62, 0.00301906/step, 1.81831 hours remaining, 206.468750 MB of memory in use. ENERGY: 2831800 754.0827 2086.5682 1961.6572 110.9196 -206257.0265 18021.6629 0.0000 0.0000 34231.2886 -149090.8474 298.9504 -183322.1359 -148996.2803 299.1317 -65.5717 -33.8076 559563.4057 10.1787 10.3253 PRESSURE: 2832000 -56.6484 -156.101 135.929 -156.103 -278.7 131.637 135.931 131.637 -116.856 GPRESSURE: 2832000 -7.1826 -224.833 135.069 -155.405 -196.337 133.09 68.5807 164.771 -162.03 PRESSAVG: 2832000 31.8149 17.4086 44.635 17.4086 -7.16673 51.7463 44.6351 51.7463 -49.4251 GPRESSAVG: 2832000 31.2661 15.092 44.0351 17.9157 -5.61661 52.9434 44.2793 51.2225 -50.022 TIMING: 2832000 CPU: 8446.22, 0.0030372/step Wall: 8446.22, 0.0030372/step, 1.82907 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: 2832000 770.5348 2100.9195 1931.7630 99.3173 -206119.6019 17818.9254 0.0000 0.0000 34305.3320 -149092.8100 299.5970 -183398.1419 -148998.9069 299.2545 -150.7347 -121.8499 559722.3236 -8.2590 -8.1242 PRESSURE: 2832200 -213.916 36.3604 44.2148 36.36 -181.588 117.392 44.2145 117.393 -309.27 GPRESSURE: 2832200 -210.163 64.5841 103.056 94.8306 -110.953 142.024 6.65741 156.919 -297.767 PRESSAVG: 2832200 81.2657 12.7657 -12.3094 12.7657 -25.1742 17.5643 -12.3094 17.5643 -40.5029 GPRESSAVG: 2832200 81.6017 13.5354 -13.1056 11.0113 -26.2882 16.7 -11.0273 17.7702 -39.8395 TIMING: 2832200 CPU: 8446.82, 0.0030056/step Wall: 8446.82, 0.0030056/step, 1.80987 hours remaining, 206.468750 MB of memory in use. ENERGY: 2832200 770.1759 2111.6541 1948.5401 118.6793 -205751.7403 17499.3080 0.0000 0.0000 34194.2067 -149109.1762 298.6265 -183303.3829 -149012.9904 299.2399 -234.9248 -206.2943 558329.2155 5.1962 5.1580 LDB: ============= START OF LOAD BALANCING ============== 8450.26 LDB: ============== END OF LOAD BALANCING =============== 8450.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8450.26 LDB: ============= START OF LOAD BALANCING ============== 8450.56 LDB: Largest compute 4821 load 0.030197 is 25.6% of average load 0.117930 LDB: Average compute 0.001748 is 1.5% of average load 0.117930 LDB: TIME 8450.56 LOAD: AVG 0.11793 MAX 0.204785 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.777 MB LDB: TIME 8450.56 LOAD: AVG 0.11793 MAX 0.204785 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.984 MB LDB: TIME 8450.56 LOAD: AVG 0.11793 MAX 0.204785 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.984 MB LDB: ============== END OF LOAD BALANCING =============== 8450.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8450.57 PRESSURE: 2832400 34.5484 -61.8601 18.0663 -61.8602 -122.012 -139.768 18.0665 -139.768 -79.7013 GPRESSURE: 2832400 110.488 5.03873 17.2408 -101.154 -148.441 -107.348 -12.068 -109.906 -23.6601 PRESSAVG: 2832400 60.2485 -3.43854 13.3359 -3.43846 28.0264 19.4507 13.336 19.4507 -87.0757 GPRESSAVG: 2832400 59.9072 -4.48319 16.2672 -2.63315 28.3892 19.9871 11.503 18.0718 -87.3203 TIMING: 2832400 CPU: 8447.44, 0.00307001/step Wall: 8447.44, 0.00307001/step, 1.84849 hours remaining, 205.941406 MB of memory in use. ENERGY: 2832400 759.8873 2173.6785 1948.5906 118.6326 -206382.8344 17894.1887 0.0000 0.0000 34354.7143 -149133.1423 300.0283 -183487.8567 -149037.8532 299.5860 -55.7215 -20.5376 558523.6806 0.3997 0.3253 PRESSURE: 2832600 -107.754 -147.597 -10.7629 -147.597 282.964 28.2771 -10.7638 28.2754 193.868 GPRESSURE: 2832600 -88.6246 -128.677 -52.7462 -151.865 322.858 14.578 33.8821 1.25008 228.797 PRESSAVG: 2832600 8.91581 -9.89979 -23.9612 -9.8998 -9.02667 -55.9931 -23.9613 -55.993 1.60902 GPRESSAVG: 2832600 9.277 -7.16513 -23.3367 -12.2346 -9.74954 -57.2684 -23.2055 -54.6876 1.80546 TIMING: 2832600 CPU: 8448.04, 0.00300658/step Wall: 8448.04, 0.00300659/step, 1.81013 hours remaining, 205.941406 MB of memory in use. ENERGY: 2832600 739.9071 2097.1941 1957.4713 114.9481 -206521.4098 18217.3954 0.0000 0.0000 34290.8161 -149103.6778 299.4702 -183394.4939 -149002.6921 299.5025 123.0259 154.3436 557302.5188 0.4994 0.4443 PRESSURE: 2832800 121.891 -38.1428 -52.696 -38.142 -81.618 51.6862 -52.6967 51.6849 -104.652 GPRESSURE: 2832800 160.904 -31.3417 -34.3848 -22.584 -38.7689 30.5082 -0.251798 -90.5029 -81.13 PRESSAVG: 2832800 -11.9414 -56.5498 26.6936 -56.5498 -16.3254 -64.1006 26.6936 -64.1007 21.2185 GPRESSAVG: 2832800 -11.3708 -59.4603 22.5865 -53.7432 -16.8259 -62.4176 25.5922 -63.8644 21.0775 TIMING: 2832800 CPU: 8448.65, 0.00302519/step Wall: 8448.65, 0.00302519/step, 1.82116 hours remaining, 205.941406 MB of memory in use. ENERGY: 2832800 750.9809 2126.6037 1963.8182 93.9066 -206070.3262 17727.3757 0.0000 0.0000 34223.6778 -149183.9633 298.8839 -183407.6411 -149085.1456 299.7808 -21.4598 13.6684 557281.4160 -2.3494 -2.3731 PRESSURE: 2833000 -89.1957 5.35071 75.4112 5.35037 10.9978 -8.77004 75.411 -8.76935 -214.596 GPRESSURE: 2833000 -134.597 38.9335 86.8124 -21.5825 41.2987 -62.6438 -14.1559 35.6734 -112.635 PRESSAVG: 2833000 -39.2382 35.2678 6.17734 35.2679 -10.4112 0.180816 6.17731 0.1808 36.5859 GPRESSAVG: 2833000 -41.2263 36.8588 7.55026 33.9613 -9.01976 -0.0436932 6.41595 0.881564 36.7884 TIMING: 2833000 CPU: 8449.25, 0.00303159/step Wall: 8449.25, 0.00303159/step, 1.82485 hours remaining, 205.941406 MB of memory in use. ENERGY: 2833000 765.5945 2171.0769 1920.9018 109.5383 -206038.9323 17641.2021 0.0000 0.0000 34174.4973 -149256.1215 298.4544 -183430.6188 -149157.8894 299.4036 -97.5980 -68.6444 556962.2937 -4.3545 -4.4859 PRESSURE: 2833200 136.02 27.993 130.788 27.9931 101.256 70.0031 130.788 70.0049 100.856 GPRESSURE: 2833200 159.836 118.839 131.317 -98.8355 126.38 48.771 62.0389 96.1909 130.518 PRESSAVG: 2833200 -80.0386 22.3566 -35.2535 22.3566 44.4114 -40.9949 -35.2535 -40.9948 34.4065 GPRESSAVG: 2833200 -79.4656 21.0741 -36.9073 23.4534 43.9583 -39.1785 -34.3896 -42.8344 34.6216 TIMING: 2833200 CPU: 8449.86, 0.0030192/step Wall: 8449.86, 0.0030192/step, 1.81722 hours remaining, 205.941406 MB of memory in use. ENERGY: 2833200 738.8713 2169.4747 1944.2943 101.9368 -206558.4423 18016.0835 0.0000 0.0000 34292.6634 -149295.1183 299.4864 -183587.7818 -149196.9356 299.4959 112.7108 138.9112 555759.7389 -0.4069 -0.2953 PRESSURE: 2833400 -92.3249 53.2014 -41.8411 53.2027 -2.99456 -218.692 -41.8426 -218.692 -35.2897 GPRESSURE: 2833400 -85.7807 48.7402 -27.127 27.0572 -23.9469 -305.143 -108.917 -175.314 94.0149 PRESSAVG: 2833400 -46.5581 -3.0591 -17.9469 -3.05905 50.6037 -12.3944 -17.947 -12.3944 -7.72627 GPRESSAVG: 2833400 -45.2394 -2.48012 -15.8175 -5.15004 50.5023 -13.9311 -19.7937 -12.252 -8.48747 TIMING: 2833400 CPU: 8450.46, 0.00300882/step Wall: 8450.46, 0.00300882/step, 1.81081 hours remaining, 205.941406 MB of memory in use. ENERGY: 2833400 776.2361 2109.4582 1949.9071 115.2445 -206255.4234 17732.4359 0.0000 0.0000 34281.3650 -149290.7766 299.3877 -183572.1416 -149197.8382 299.0383 -43.5364 -5.2376 556884.4201 -1.2269 -1.0749 PRESSURE: 2833600 -90.834 12.6508 -58.3558 12.6519 -48.5256 31.7955 -58.3572 31.7965 -1.27548 GPRESSURE: 2833600 38.5413 73.8747 -109.293 7.7067 -72.9461 60.8783 -57.0104 -51.2966 -9.4776 PRESSAVG: 2833600 19.3843 -25.9868 7.86831 -25.9868 13.3317 -9.64626 7.8682 -9.64625 -68.8786 GPRESSAVG: 2833600 19.5248 -23.7145 7.99293 -26.0798 13.0919 -11.103 9.21544 -8.83628 -68.7091 TIMING: 2833600 CPU: 8451.06, 0.0030202/step Wall: 8451.06, 0.0030202/step, 1.81749 hours remaining, 205.941406 MB of memory in use. ENERGY: 2833600 777.4022 2057.7751 1925.2280 116.5699 -206624.1618 17919.8050 0.0000 0.0000 34446.1940 -149381.1876 300.8272 -183827.3816 -149287.3974 298.8451 -46.8783 -14.6275 557625.1184 -12.0542 -12.0308 PRESSURE: 2833800 -96.7299 200.297 153.407 200.298 35.62 30.2481 153.407 30.2487 -89.4685 GPRESSURE: 2833800 -89.38 144.037 221.412 263.258 69.8859 12.252 73.5334 90.6234 -32.31 PRESSAVG: 2833800 -21.2768 9.51112 -24.1343 9.51114 28.7307 -2.18625 -24.1343 -2.1864 5.70334 GPRESSAVG: 2833800 -21.4198 7.18809 -23.8577 11.7926 27.5315 -0.401149 -25.0718 -3.66665 6.5691 TIMING: 2833800 CPU: 8451.67, 0.00303398/step Wall: 8451.67, 0.00303398/step, 1.82562 hours remaining, 205.941406 MB of memory in use. ENERGY: 2833800 784.4269 2112.1059 1919.7662 119.8395 -206467.7518 17744.3748 0.0000 0.0000 34382.5279 -149404.7105 300.2712 -183787.2384 -149308.6814 298.4636 -50.1928 -17.2680 558381.3484 4.3857 4.2269 PRESSURE: 2834000 236.967 -43.9076 -75.9757 -43.9073 -220.446 45.7965 -75.9756 45.8001 106.277 GPRESSURE: 2834000 241.937 -48.004 -104.259 -66.9057 -142.033 101.214 -111.235 -34.2275 99.0287 PRESSAVG: 2834000 18.6532 15.7466 3.3335 15.7466 -9.67076 50.3272 3.3335 50.3272 -21.2718 GPRESSAVG: 2834000 18.6668 17.2553 1.65873 14.2002 -8.43082 52.0355 4.1234 49.6183 -23.0939 TIMING: 2834000 CPU: 8452.27, 0.00300278/step Wall: 8452.27, 0.00300278/step, 1.80667 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: 2834000 734.7256 2065.6535 1936.9366 118.9904 -206803.3578 18065.1888 0.0000 0.0000 34218.5402 -149663.3227 298.8390 -183881.8629 -149560.8508 299.0703 40.9329 66.3109 557525.3453 -4.0964 -4.2860 PRESSURE: 2834200 -23.4059 60.4699 64.7037 60.4693 167.972 52.3205 64.7037 52.3201 -106.131 GPRESSURE: 2834200 -19.6785 35.6266 -46.5532 -28.8708 203.188 6.42323 148.701 78.9984 -58.2415 PRESSAVG: 2834200 24.8053 32.3766 -55.3332 32.3765 25.9352 27.9951 -55.3332 27.9952 -74.2059 GPRESSAVG: 2834200 22.5953 30.8047 -55.1427 33.1305 25.1881 26.3773 -54.9032 28.7553 -71.0445 TIMING: 2834200 CPU: 8452.87, 0.00301063/step Wall: 8452.87, 0.00301063/step, 1.81123 hours remaining, 206.144531 MB of memory in use. ENERGY: 2834200 734.5338 2110.8300 1938.2662 117.1712 -206624.6446 18016.4862 0.0000 0.0000 34216.5207 -149490.8364 298.8214 -183707.3571 -149397.4565 298.5910 12.8119 41.7561 557766.9578 -7.8218 -7.7537 PRESSURE: 2834400 -144.168 187.416 10.5161 187.415 -39.234 -125.612 10.516 -125.611 -23.2621 GPRESSURE: 2834400 -72.956 146.005 -32.953 205.74 -19.8733 -50.1703 -88.1741 -149.442 -14.4861 PRESSAVG: 2834400 55.981 -9.54973 -16.0969 -9.5498 32.9979 83.1705 -16.0968 83.1705 -64.7472 GPRESSAVG: 2834400 57.4214 -8.01883 -15.6702 -10.3232 32.5058 82.3506 -15.8598 84.1829 -65.4445 TIMING: 2834400 CPU: 8453.47, 0.00297352/step Wall: 8453.47, 0.00297352/step, 1.78874 hours remaining, 206.144531 MB of memory in use. ENERGY: 2834400 757.2717 2151.0521 1939.1437 109.4737 -206541.8422 18006.2046 0.0000 0.0000 34291.4589 -149287.2374 299.4758 -183578.6963 -149185.4495 298.6255 -68.8881 -35.7718 558299.4282 8.0772 8.1609 PRESSURE: 2834600 -86.8962 54.6646 -23.6881 54.6634 -123.953 -6.45056 -23.6887 -6.45275 4.27047 GPRESSURE: 2834600 -62.2364 -114.523 -17.4062 100.262 -40.4639 15.4381 23.7561 -14.7792 -3.80839 PRESSAVG: 2834600 9.59622 -6.50244 59.2398 -6.50256 19.8187 10.3429 59.2398 10.3428 -59.6337 GPRESSAVG: 2834600 9.09437 -7.7674 59.7938 -5.48373 20.734 11.2101 59.7803 10.4466 -59.5072 TIMING: 2834600 CPU: 8454.07, 0.00301392/step Wall: 8454.07, 0.00301392/step, 1.81287 hours remaining, 206.144531 MB of memory in use. ENERGY: 2834600 728.4318 2160.6914 1935.9955 100.6539 -206288.5039 17917.0559 0.0000 0.0000 34136.9444 -149308.7311 298.1264 -183445.6754 -149212.1044 299.6162 -68.8597 -35.5029 558606.4259 -10.0729 -9.8930 PRESSURE: 2834800 92.2433 -20.5801 -56.0726 -20.5806 -74.2848 45.0433 -56.074 45.0457 -188.816 GPRESSURE: 2834800 155.448 40.8368 -37.8283 -17.4547 -63.6188 68.2326 -89.5008 14.2919 -161.566 PRESSAVG: 2834800 101.345 13.484 -40.8898 13.484 -43.5627 -6.68718 -40.8898 -6.68715 -77.4201 GPRESSAVG: 2834800 101.694 16.5564 -39.828 12.024 -43.0517 -5.61785 -43.9241 -7.76563 -77.8396 TIMING: 2834800 CPU: 8454.67, 0.00301426/step Wall: 8454.67, 0.00301426/step, 1.81291 hours remaining, 206.144531 MB of memory in use. ENERGY: 2834800 745.5346 2076.8327 1934.3212 106.1533 -206382.4966 17850.5203 0.0000 0.0000 34287.7830 -149381.3515 299.4437 -183669.1345 -149279.2845 298.8008 -56.9524 -23.2457 557429.8461 -6.5459 -6.3989 PRESSURE: 2835000 177.801 -58.6703 -52.1857 -58.6713 125.838 58.562 -52.187 58.5614 18.2345 GPRESSURE: 2835000 163.386 -105.012 -52.0677 -38.497 159.579 72.5459 -76.615 71.8134 100.804 PRESSAVG: 2835000 11.6693 -21.2127 5.84402 -21.2126 66.2951 25.356 5.84405 25.356 -58.7419 GPRESSAVG: 2835000 12.1484 -23.363 3.4356 -18.3199 65.016 23.569 7.34496 26.4548 -57.9635 TIMING: 2835000 CPU: 8455.27, 0.00299283/step Wall: 8455.27, 0.00299283/step, 1.79985 hours remaining, 206.144531 MB of memory in use. ENERGY: 2835000 733.6520 2078.5049 1937.5113 119.8464 -206541.9626 18224.7154 0.0000 0.0000 33994.5302 -149453.2023 296.8827 -183447.7326 -149355.7431 298.4108 107.2911 141.2563 558349.6227 6.4075 6.4003 PRESSURE: 2835200 78.0342 148.402 -115.648 148.401 -63.2319 2.5278 -115.647 2.5289 -225.089 GPRESSURE: 2835200 125.721 161.303 -94.6152 91.6205 -18.2483 6.20888 -62.6387 18.0972 -220.051 PRESSAVG: 2835200 -4.53914 -40.1344 -17.8677 -40.1345 17.3961 -32.1252 -17.8677 -32.1252 -47.0291 GPRESSAVG: 2835200 -5.74681 -39.7031 -13.8967 -41.0685 18.7496 -31.3423 -17.4781 -31.6556 -46.9762 TIMING: 2835200 CPU: 8455.88, 0.00302834/step Wall: 8455.88, 0.00302834/step, 1.82104 hours remaining, 206.144531 MB of memory in use. ENERGY: 2835200 718.0378 2092.3420 1950.3202 108.1183 -206154.4415 17739.3977 0.0000 0.0000 34137.1393 -149409.0863 298.1281 -183546.2256 -149306.2902 298.0156 -70.0955 -37.5261 556611.5585 -11.3907 -11.3245 PRESSURE: 2835400 -187.16 -15.3702 85.1585 -15.37 -122.71 36.4435 85.1593 36.4435 -19.438 GPRESSURE: 2835400 -107.911 -25.4008 -16.532 -37.7754 -85.2202 74.6178 164.024 130.985 -36.9512 PRESSAVG: 2835400 23.7889 4.86503 -0.949385 4.86496 67.1277 1.12736 -0.949404 1.12744 -13.0206 GPRESSAVG: 2835400 24.8264 4.37609 -5.57058 4.1349 66.2739 1.69172 -1.53691 1.68779 -13.5202 TIMING: 2835400 CPU: 8456.48, 0.00302844/step Wall: 8456.48, 0.00302844/step, 1.82093 hours remaining, 206.144531 MB of memory in use. ENERGY: 2835400 769.3783 2041.1078 1922.6352 103.3113 -205936.4280 17559.7989 0.0000 0.0000 34406.6033 -149133.5933 300.4814 -183540.1966 -149036.1127 299.2515 -109.7695 -76.6943 556754.8611 25.9653 25.8600 PRESSURE: 2835600 -8.32118 -118.626 -161.541 -118.627 -70.0094 71.4401 -161.54 71.441 -321.301 GPRESSURE: 2835600 9.20734 -120.21 -38.5969 -106.6 -27.7176 -10.3094 -221.013 155.157 -293.082 PRESSAVG: 2835600 -5.52512 16.8267 -19.4028 16.8266 20.126 6.80908 -19.4028 6.80916 -26.3201 GPRESSAVG: 2835600 -4.49297 18.0795 -14.5253 16.1403 19.6903 6.24413 -22.1366 5.92886 -26.5985 TIMING: 2835600 CPU: 8457.08, 0.00301412/step Wall: 8457.08, 0.00301412/step, 1.81215 hours remaining, 206.144531 MB of memory in use. ENERGY: 2835600 731.0708 2091.5257 1948.8850 113.4292 -205814.7007 17546.7001 0.0000 0.0000 34083.6883 -149299.4015 297.6613 -183383.0898 -149200.1756 299.0392 -133.2104 -103.8640 557449.8050 -3.9064 -3.8004 PRESSURE: 2835800 -65.9637 -17.7935 77.3262 -17.7927 -257.538 -50.9342 77.3273 -50.9342 -248.598 GPRESSURE: 2835800 -108.387 -54.9491 42.6966 48.1333 -170.257 -111.525 65.409 -26.5528 -203.607 PRESSAVG: 2835800 2.38185 -42.7941 4.69955 -42.794 44.1673 -15.1553 4.6997 -15.1554 -21.9511 GPRESSAVG: 2835800 1.31683 -45.1129 1.35454 -41.7285 44.6826 -14.2926 6.27176 -15.4606 -21.2392 TIMING: 2835800 CPU: 8457.69, 0.00303956/step Wall: 8457.69, 0.00303956/step, 1.82728 hours remaining, 206.144531 MB of memory in use. ENERGY: 2835800 791.4324 2076.3214 1931.8602 99.7061 -205916.1548 17709.7583 0.0000 0.0000 33943.6101 -149363.4664 296.4380 -183307.0764 -149268.0768 298.7928 -190.6997 -160.7501 558668.0879 8.1993 8.2534 PRESSURE: 2836000 184.044 49.3746 -112.154 49.3768 -111.482 77.136 -112.154 77.135 -64.1136 GPRESSURE: 2836000 173.078 -1.27153 -37.6242 121.381 14.3416 51.0583 -138.225 53.2672 -68.5596 PRESSAVG: 2836000 6.8976 17.9155 -48.3781 17.9155 -18.834 16.1418 -48.3782 16.1417 -41.1245 GPRESSAVG: 2836000 6.18346 17.9534 -46.8225 17.4862 -17.8803 16.8603 -48.3978 16.7825 -41.8196 TIMING: 2836000 CPU: 8458.3, 0.00301641/step Wall: 8458.3, 0.00301641/step, 1.8132 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: 2836000 750.4714 2057.9828 1944.3246 101.0277 -206351.6044 17911.5343 0.0000 0.0000 34214.6012 -149371.6623 298.8046 -183586.2635 -149276.0552 298.8277 2.8161 39.6200 557190.0823 -17.6870 -17.8388 PRESSURE: 2836200 121.931 -43.2432 -29.3339 -43.2434 -34.1602 -53.516 -29.3359 -53.515 -11.6742 GPRESSURE: 2836200 181.062 -49.8501 -92.3166 -35.2112 -45.394 -75.7808 -53.0727 -30.935 47.3195 PRESSAVG: 2836200 71.2141 -47.1114 -37.7915 -47.1115 68.4586 9.54293 -37.7915 9.54276 -70.628 GPRESSAVG: 2836200 72.4585 -45.1976 -39.2463 -46.0255 66.9384 7.79939 -36.4458 8.13386 -70.4156 TIMING: 2836200 CPU: 8458.91, 0.00305654/step Wall: 8458.91, 0.00305654/step, 1.83715 hours remaining, 206.144531 MB of memory in use. ENERGY: 2836200 763.1969 2129.1324 1956.8075 104.5783 -206411.2869 17866.0903 0.0000 0.0000 34178.2370 -149413.2444 298.4870 -183591.4815 -149313.5480 298.4081 25.3656 60.9959 557328.6510 23.0149 22.9938 LDB: ============= START OF LOAD BALANCING ============== 8462.34 LDB: ============== END OF LOAD BALANCING =============== 8462.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8462.34 LDB: ============= START OF LOAD BALANCING ============== 8462.64 LDB: Largest compute 4821 load 0.026507 is 22.5% of average load 0.117899 LDB: Average compute 0.001758 is 1.5% of average load 0.117899 LDB: TIME 8462.65 LOAD: AVG 0.117899 MAX 0.207088 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 8462.65 LOAD: AVG 0.117899 MAX 0.207088 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: TIME 8462.65 LOAD: AVG 0.117899 MAX 0.207088 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8462.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8462.65 PRESSURE: 2836400 -83.3243 -295.213 -13.1432 -295.212 160.359 21.3377 -13.1446 21.336 67.0163 GPRESSURE: 2836400 -34.9823 -351.794 -9.14402 -259.525 183.324 -10.811 3.42382 -93.3206 93.2454 PRESSAVG: 2836400 2.54937 -93.2353 13.5532 -93.2353 -16.9668 11.1148 13.5533 11.1148 17.7104 GPRESSAVG: 2836400 3.26174 -91.4771 14.5458 -94.645 -17.4645 11.0979 12.9173 12.7721 17.3779 TIMING: 2836400 CPU: 8459.52, 0.0030834/step Wall: 8459.52, 0.0030834/step, 1.85312 hours remaining, 206.000000 MB of memory in use. ENERGY: 2836400 738.8672 2150.6981 1938.5082 105.2805 -206504.7092 17934.4302 0.0000 0.0000 34260.8507 -149376.0743 299.2085 -183636.9249 -149279.5983 298.5847 48.0169 80.5291 556662.3928 1.0977 1.0584 PRESSURE: 2836600 -104.289 -83.8532 -177.402 -83.8529 20.3375 -104.455 -177.403 -104.454 -166.155 GPRESSURE: 2836600 -122.157 -116.982 -121.885 -99.2682 68.6506 -48.2471 -225.968 -171.081 -92.9327 PRESSAVG: 2836600 8.91916 -57.2381 6.17914 -57.2381 43.9209 31.8768 6.17923 31.8768 -41.4563 GPRESSAVG: 2836600 8.40832 -59.6916 4.99496 -55.5725 43.6781 31.8694 6.20028 31.9663 -41.0316 TIMING: 2836600 CPU: 8460.13, 0.00301668/step Wall: 8460.13, 0.00301668/step, 1.81286 hours remaining, 206.000000 MB of memory in use. ENERGY: 2836600 743.4644 2073.0027 1936.8048 117.7166 -206186.2286 17602.1229 0.0000 0.0000 34462.0751 -149251.0420 300.9659 -183713.1171 -149157.5133 298.8629 -83.3688 -48.8132 558234.4783 3.7946 3.6849 PRESSURE: 2836800 6.80267 86.2047 90.7246 86.2058 -113.316 -160.918 90.7235 -160.919 43.3323 GPRESSURE: 2836800 75.0359 100.101 43.469 97.0459 -123.761 -114.677 78.8066 -151.875 76.0512 PRESSAVG: 2836800 -1.7589 2.56012 -24.9212 2.56012 -19.6061 -24.3892 -24.9212 -24.3892 -14.0307 GPRESSAVG: 2836800 -1.10209 3.81769 -25.3276 0.123889 -19.1496 -24.1496 -23.6755 -25.0742 -15.1696 TIMING: 2836800 CPU: 8460.73, 0.00303256/step Wall: 8460.73, 0.00303256/step, 1.82223 hours remaining, 206.000000 MB of memory in use. ENERGY: 2836800 756.4834 2064.3698 1980.8978 112.0035 -206588.9451 17970.8457 0.0000 0.0000 34320.1463 -149384.1987 299.7264 -183704.3449 -149284.4066 299.2893 -21.0603 9.1087 557767.9211 -11.7986 -11.8071 PRESSURE: 2837000 183.172 107.879 -52.4421 107.88 25.2044 49.9433 -52.4417 49.9438 -116.021 GPRESSURE: 2837000 203.896 106.304 39.8116 105.115 111.006 63.8334 -126.654 -16.8461 -129.273 PRESSAVG: 2837000 51.9259 71.4674 -34.4583 71.4675 -54.5973 -22.4919 -34.4582 -22.4919 11.1959 GPRESSAVG: 2837000 51.1706 70.6807 -33.379 74.27 -55.6375 -21.5716 -38.3248 -21.7542 12.744 TIMING: 2837000 CPU: 8461.33, 0.00299893/step Wall: 8461.33, 0.00299893/step, 1.80186 hours remaining, 206.000000 MB of memory in use. ENERGY: 2837000 750.0472 2102.8983 1948.5733 94.4825 -206813.1090 18023.7985 0.0000 0.0000 34388.5635 -149504.7458 300.3239 -183893.3092 -149407.8623 298.8837 30.7851 61.8762 557177.4853 2.8415 2.7590 PRESSURE: 2837200 -194.163 -135.744 118.061 -135.746 -0.124184 141.121 118.06 141.122 -162.365 GPRESSURE: 2837200 -123.574 -170.163 114.342 -83.6072 -16.4408 82.1713 123.932 162.801 -124.29 PRESSAVG: 2837200 3.17025 91.8729 -55.3008 91.873 9.03484 36.1186 -55.3008 36.1185 -11.6754 GPRESSAVG: 2837200 2.4086 89.9919 -55.1371 91.5131 9.3579 37.9385 -51.7188 35.3008 -11.1828 TIMING: 2837200 CPU: 8461.93, 0.00299679/step Wall: 8461.93, 0.00299679/step, 1.80041 hours remaining, 206.000000 MB of memory in use. ENERGY: 2837200 761.0883 2108.2009 1938.0544 110.7766 -206301.7502 17660.6098 0.0000 0.0000 34212.6634 -149510.3569 298.7877 -183723.0203 -149418.5438 298.2797 -118.8838 -88.1016 557948.2004 0.1766 0.1946 PRESSURE: 2837400 -225.514 68.1468 -75.5435 68.1458 15.6476 75.6118 -75.5422 75.6122 -8.86776 GPRESSURE: 2837400 -166.505 99.084 -75.6561 67.2698 69.369 33.4394 -35.0598 15.4898 -12.1738 PRESSAVG: 2837400 -23.5951 -39.8818 -16.4051 -39.8818 -7.22176 31.0756 -16.4051 31.0756 39.1357 GPRESSAVG: 2837400 -22.7732 -37.9141 -17.6887 -39.8056 -7.59084 27.8493 -14.8341 30.425 39.1976 TIMING: 2837400 CPU: 8462.54, 0.00301614/step Wall: 8462.54, 0.00301614/step, 1.81186 hours remaining, 206.000000 MB of memory in use. ENERGY: 2837400 757.1967 2050.9579 1938.0757 105.1586 -206277.7907 17740.7072 0.0000 0.0000 34135.6744 -149550.0202 298.1153 -183685.6946 -149457.2927 298.7169 -72.9113 -36.4367 556642.9385 2.7729 2.9445 PRESSURE: 2837600 -30.1122 39.3991 145.484 39.4002 -55.8104 -140.548 145.484 -140.548 -241.868 GPRESSURE: 2837600 -32.9952 81.1722 159.683 15.6357 15.7129 -189.821 144.547 -134.748 -217.761 PRESSAVG: 2837600 -8.36135 -20.1472 47.7647 -20.1472 30.3312 13.146 47.7647 13.1459 -28.2025 GPRESSAVG: 2837600 -7.14949 -19.6567 49.5549 -23.0205 30.1971 13.7408 46.0631 13.7394 -29.6164 TIMING: 2837600 CPU: 8463.14, 0.00300096/step Wall: 8463.14, 0.00300096/step, 1.80258 hours remaining, 206.000000 MB of memory in use. ENERGY: 2837600 735.1802 2020.4509 1929.2153 123.1709 -205974.5724 17491.1420 0.0000 0.0000 34215.8433 -149459.5697 298.8155 -183675.4130 -149369.2970 298.2378 -109.2635 -78.3479 557591.2337 -2.0775 -2.1896 PRESSURE: 2837800 -237.013 -1.61803 -101.632 -1.61832 -111.561 52.14 -101.632 52.1393 -63.974 GPRESSURE: 2837800 -193.623 -107.625 -135.409 25.6203 -76.2848 98.611 -32.564 119.181 -42.4694 PRESSAVG: 2837800 -27.0838 19.9539 -27.6962 19.9539 3.43626 -13.3381 -27.6963 -13.3381 24.5381 GPRESSAVG: 2837800 -29.7981 18.4731 -28.3722 22.3781 4.23252 -12.714 -27.0996 -11.9814 25.7551 TIMING: 2837800 CPU: 8463.74, 0.00300256/step Wall: 8463.74, 0.00300256/step, 1.80337 hours remaining, 206.000000 MB of memory in use. ENERGY: 2837800 809.9400 2079.9596 1935.2263 105.8350 -206462.6536 17907.3232 0.0000 0.0000 34225.4494 -149398.9202 298.8994 -183624.3696 -149306.8422 298.8897 -137.5160 -104.1258 557353.6203 0.2968 0.0631 PRESSURE: 2838000 -437.142 -19.6847 12.621 -19.6848 -24.0049 11.1168 12.6189 11.1164 32.7333 GPRESSURE: 2838000 -393.274 2.32632 -9.18219 1.8357 7.01958 66.9949 4.54934 -35.6971 67.4734 PRESSAVG: 2838000 -56.062 20.3972 -8.17156 20.3972 10.8877 -12.253 -8.17159 -12.2531 37.7028 GPRESSAVG: 2838000 -55.8737 21.1611 -7.79617 19.8188 11.0755 -13.6214 -10.0655 -13.678 37.4006 TIMING: 2838000 CPU: 8464.34, 0.00302834/step Wall: 8464.34, 0.00302834/step, 1.81869 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: 2838000 762.1066 2070.8007 1985.8839 123.7972 -206271.3400 17681.3820 0.0000 0.0000 34240.6101 -149406.7595 299.0318 -183647.3697 -149304.1266 298.8178 -142.8044 -106.2602 556883.3706 -2.4905 -2.4659 PRESSURE: 2838200 135.801 3.48833 -5.98074 3.4883 -4.15876 24.9258 -5.98051 24.9266 -81.826 GPRESSURE: 2838200 178.016 48.2133 -45.4521 35.5148 0.62729 24.5668 25.7561 59.1484 -42.5455 PRESSAVG: 2838200 -56.3565 -5.75946 -28.579 -5.75949 40.7438 2.83338 -28.5789 2.83338 20.328 GPRESSAVG: 2838200 -56.5134 -5.96301 -28.7801 -4.92842 40.6739 3.01915 -27.9171 2.30707 20.4258 TIMING: 2838200 CPU: 8464.94, 0.00301164/step Wall: 8464.94, 0.00301164/step, 1.80849 hours remaining, 206.000000 MB of memory in use. ENERGY: 2838200 751.4782 2105.3448 1943.5008 94.1908 -206257.8267 17782.5576 0.0000 0.0000 34110.0666 -149470.6878 297.8917 -183580.7544 -149378.0445 299.0680 16.6053 45.3659 556680.6792 1.5718 1.5288 PRESSURE: 2838400 -218.856 115.459 111.508 115.46 -284.458 36.7256 111.507 36.7266 -316.402 GPRESSURE: 2838400 -203.845 63.3682 303.066 62.0544 -269.702 11.2232 12.0443 -50.7714 -245.405 PRESSAVG: 2838400 -62.9358 -2.70026 -62.4651 -2.70023 52.2196 -4.12243 -62.465 -4.12259 12.3613 GPRESSAVG: 2838400 -62.4403 -2.50254 -63.5076 -2.05455 52.1348 -3.90002 -60.8118 -2.60893 11.794 TIMING: 2838400 CPU: 8465.55, 0.00301709/step Wall: 8465.55, 0.00301709/step, 1.8116 hours remaining, 206.000000 MB of memory in use. ENERGY: 2838400 772.0783 2074.5263 1937.2117 122.1338 -205998.3885 17547.7856 0.0000 0.0000 33966.3393 -149578.3136 296.6365 -183544.6528 -149480.8199 298.2866 -273.2386 -239.6509 558160.7740 0.5484 0.4962 PRESSURE: 2838600 198.783 77.3135 -11.2825 77.3135 54.8737 -43.5508 -11.2826 -43.5499 -60.3995 GPRESSURE: 2838600 182.903 70.9132 -15.1447 -4.43006 127.234 77.2155 -34.0634 -88.7216 -28.1407 PRESSAVG: 2838600 6.32165 -15.7181 -43.6365 -15.7182 49.7381 7.97765 -43.6364 7.97786 -52.7231 GPRESSAVG: 2838600 6.06062 -16.1673 -42.7377 -16.5747 50.8511 7.87423 -46.0232 8.03997 -53.4285 TIMING: 2838600 CPU: 8466.16, 0.00304114/step Wall: 8466.16, 0.00304114/step, 1.82587 hours remaining, 206.000000 MB of memory in use. ENERGY: 2838600 750.2733 2137.5109 1954.4413 110.9430 -206486.5186 17835.2760 0.0000 0.0000 34334.2301 -149363.8441 299.8494 -183698.0742 -149267.4815 298.5997 64.4189 93.9988 556622.0940 1.1122 1.1610 PRESSURE: 2838800 -116.238 -171.747 24.5305 -171.747 76.918 180.237 24.5307 180.234 -216.849 GPRESSURE: 2838800 -81.3314 -179.511 -68.0667 -120.202 84.0094 199.704 -9.90949 72.4677 -152.188 PRESSAVG: 2838800 2.44936 -43.0826 -42.8429 -43.0826 6.86411 5.28524 -42.8429 5.2852 -8.84655 GPRESSAVG: 2838800 3.4433 -41.2111 -45.3379 -43.2165 5.70068 6.04586 -40.9228 4.83728 -8.3432 TIMING: 2838800 CPU: 8466.76, 0.00304177/step Wall: 8466.76, 0.00304177/step, 1.82607 hours remaining, 206.000000 MB of memory in use. ENERGY: 2838800 732.9470 1999.5345 1978.6309 117.2013 -206062.6125 17747.0646 0.0000 0.0000 34145.9146 -149341.3197 298.2048 -183487.2343 -149244.3673 298.8232 -85.3896 -49.8368 556730.9454 0.1556 0.2669 PRESSURE: 2839000 258.237 167.683 5.06189 167.684 164.431 -166.226 5.06195 -166.226 -153.034 GPRESSURE: 2839000 288.338 113.21 -24.9164 182.966 211.902 -144.401 -4.67274 -213.28 -123.467 PRESSAVG: 2839000 56.096 60.9739 -11.3975 60.9738 22.8338 12.7867 -11.3974 12.7866 -69.9763 GPRESSAVG: 2839000 55.3713 60.2692 -11.7831 61.1861 23.4111 12.9009 -11.5306 10.8937 -70.4031 TIMING: 2839000 CPU: 8467.37, 0.00301567/step Wall: 8467.37, 0.00301567/step, 1.81024 hours remaining, 206.000000 MB of memory in use. ENERGY: 2839000 750.8437 2042.2904 1941.9497 117.9463 -206020.4592 17984.9796 0.0000 0.0000 33893.0795 -149289.3699 295.9967 -183182.4494 -149191.1246 298.8043 89.8780 125.5912 557997.6110 2.9845 2.7931 PRESSURE: 2839200 96.4979 -47.592 -54.7429 -47.5924 -14.1156 -179.916 -54.7434 -179.915 27.5342 GPRESSURE: 2839200 128.451 -18.6532 54.1427 -37.2605 18.993 -186.577 -53.9282 -133.074 52.0449 PRESSAVG: 2839200 -25.0607 63.7762 10.4129 63.7762 48.897 -0.599857 10.413 -0.59993 -41.9168 GPRESSAVG: 2839200 -25.9274 62.7279 12.0167 63.5123 48.0923 -0.116666 10.5748 -0.194556 -40.5878 TIMING: 2839200 CPU: 8467.97, 0.00302753/step Wall: 8467.97, 0.00302753/step, 1.81719 hours remaining, 206.000000 MB of memory in use. ENERGY: 2839200 711.2371 2059.9821 1926.2588 116.1190 -206147.0056 17814.1143 0.0000 0.0000 34136.6547 -149382.6397 298.1239 -183519.2944 -149289.2112 298.3263 36.6388 66.4963 556817.8586 -6.0268 -6.1410 PRESSURE: 2839400 -195.807 -44.013 91.5615 -44.0136 36.2095 149.938 91.5615 149.936 -157.501 GPRESSURE: 2839400 -140.308 20.7333 55.164 -137.479 50.7901 159.063 40.279 145.753 -138.483 PRESSAVG: 2839400 -29.8142 -30.8208 25.6219 -30.8209 -1.88725 17.4516 25.6219 17.4516 -5.21001 GPRESSAVG: 2839400 -28.613 -30.0562 27.0655 -29.8511 -2.82641 17.409 24.6982 17.9886 -5.45065 TIMING: 2839400 CPU: 8468.58, 0.00303301/step Wall: 8468.58, 0.00303301/step, 1.82031 hours remaining, 206.000000 MB of memory in use. ENERGY: 2839400 717.0371 2085.1854 1948.5133 114.0680 -205781.6068 17488.3557 0.0000 0.0000 34087.3185 -149341.1289 297.6930 -183428.4474 -149241.1795 298.5240 -105.6996 -76.0004 558702.3083 -12.3038 -12.2967 PRESSURE: 2839600 -131.783 52.3429 61.1113 52.3417 -50.9793 -235.559 61.1129 -235.561 -198.879 GPRESSURE: 2839600 -159.023 26.5849 73.4084 24.4847 -41.5385 -107.729 72.4785 -227.614 -72.1388 PRESSAVG: 2839600 0.281484 17.1562 -8.01613 17.1562 4.22921 -10.1634 -8.01614 -10.1635 -51.1065 GPRESSAVG: 2839600 -0.490659 16.3453 -8.96783 18.38 6.11071 -8.65319 -7.00949 -10.9854 -51.99 TIMING: 2839600 CPU: 8469.19, 0.00303348/step Wall: 8469.19, 0.00303348/step, 1.82043 hours remaining, 206.000000 MB of memory in use. ENERGY: 2839600 729.3816 2037.0849 1928.3354 99.3350 -206243.0870 17784.3357 0.0000 0.0000 34366.7184 -149297.8960 300.1331 -183664.6144 -149201.2217 298.1222 -127.2136 -90.9000 558127.1176 -15.5319 -15.4567 PRESSURE: 2839800 -158.749 121.244 -125.374 121.245 -238.587 13.5926 -125.374 13.5931 -132.633 GPRESSURE: 2839800 -126.032 149.417 -111.811 100.404 -199.433 3.00785 -137.984 -15.6642 -117.593 PRESSAVG: 2839800 -60.574 37.4033 0.803019 37.4032 124.221 -1.97328 0.803085 -1.97327 -24.7292 GPRESSAVG: 2839800 -61.3541 38.281 0.00450833 34.9038 124.435 -5.32833 0.0252654 -1.71335 -24.2825 TIMING: 2839800 CPU: 8469.79, 0.00304376/step Wall: 8469.79, 0.00304376/step, 1.82642 hours remaining, 206.000000 MB of memory in use. ENERGY: 2839800 754.4108 2013.9905 1933.7860 119.4621 -205846.4476 17552.3332 0.0000 0.0000 34218.7651 -149253.6999 298.8410 -183472.4650 -149158.8724 298.3739 -176.6564 -147.6859 557514.5682 12.9727 12.9327 PRESSURE: 2840000 -159.6 21.3775 9.91601 21.3782 -149.022 82.8435 9.9163 82.8437 -167.533 GPRESSURE: 2840000 -99.5138 141.019 73.5639 -29.5821 -194.525 158.943 -39.8302 34.0099 -74.7248 PRESSAVG: 2840000 -45.7862 53.7549 21.6095 53.7549 28.273 15.3868 21.6096 15.3867 48.5117 GPRESSAVG: 2840000 -43.4406 53.6108 21.6809 55.1504 26.7323 17.8248 21.3416 14.5044 48.1272 TIMING: 2840000 CPU: 8470.41, 0.0030538/step Wall: 8470.41, 0.0030538/step, 1.83228 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: 2840000 739.5648 2085.4891 1932.8308 110.2741 -205931.0345 17711.7156 0.0000 0.0000 34058.5061 -149292.6541 297.4414 -183351.1602 -149197.5742 297.7379 -158.7186 -122.9213 558411.1812 10.3329 10.4729 PRESSURE: 2840200 -276.946 -38.5872 110.329 -38.5882 -266.575 57.9847 110.329 57.9848 -215.723 GPRESSURE: 2840200 -261.442 -54.0683 60.9985 -41.5275 -230.756 3.22519 109.838 111.226 -168.067 PRESSAVG: 2840200 18.9588 -20.6103 18.6143 -20.6104 -37.7879 -14.5245 18.6144 -14.5245 -3.12144 GPRESSAVG: 2840200 17.9191 -20.0651 19.1408 -22.3041 -36.0625 -17.0361 19.1192 -11.4757 -3.14115 TIMING: 2840200 CPU: 8471.01, 0.00302912/step Wall: 8471.01, 0.00302912/step, 1.8173 hours remaining, 206.000000 MB of memory in use. ENERGY: 2840200 759.8665 2058.3595 1931.5444 103.1423 -206061.5654 17479.7907 0.0000 0.0000 34177.4424 -149551.4196 298.4801 -183728.8620 -149457.1721 298.6137 -253.0813 -220.0883 556697.4104 -7.3169 -7.0948 LDB: ============= START OF LOAD BALANCING ============== 8474.44 LDB: ============== END OF LOAD BALANCING =============== 8474.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8474.45 LDB: ============= START OF LOAD BALANCING ============== 8474.75 LDB: Largest compute 4821 load 0.027534 is 23.3% of average load 0.117933 LDB: Average compute 0.001742 is 1.5% of average load 0.117933 LDB: TIME 8474.75 LOAD: AVG 0.117933 MAX 0.210026 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.031 MB LDB: TIME 8474.75 LOAD: AVG 0.117933 MAX 0.210026 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.031 MB LDB: TIME 8474.75 LOAD: AVG 0.117933 MAX 0.210026 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.031 MB LDB: ============== END OF LOAD BALANCING =============== 8474.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8474.76 PRESSURE: 2840400 -46.1842 69.8865 93.9306 69.8871 -116.742 38.3257 93.9303 38.3262 132.052 GPRESSURE: 2840400 34.7455 53.118 124.181 53.0239 -51.4733 78.9608 75.963 17.1392 96.4645 PRESSAVG: 2840400 -18.7552 16.6372 -4.64311 16.6371 37.49 -2.82418 -4.64322 -2.82419 -41.6397 GPRESSAVG: 2840400 -18.122 15.5824 -3.99266 17.6919 36.2898 -2.19528 -5.47656 -2.73064 -40.8094 TIMING: 2840400 CPU: 8471.63, 0.00309054/step Wall: 8471.63, 0.00309054/step, 1.85398 hours remaining, 205.941406 MB of memory in use. ENERGY: 2840400 759.7874 2100.4367 1937.6321 116.7336 -206437.5876 17835.4282 0.0000 0.0000 34080.8117 -149606.7579 297.6362 -183687.5696 -149512.9897 298.4826 -10.2913 26.5789 557425.5519 -7.6350 -7.5472 PRESSURE: 2840600 -194.54 88.609 172.474 88.6098 -19.7003 134.544 172.475 134.544 80.2129 GPRESSURE: 2840600 -122.656 59.0209 152.135 41.7819 -20.6407 222.683 171.847 102.615 104.324 PRESSAVG: 2840600 -3.95776 -12.9463 39.5897 -12.9463 10.2609 34.6133 39.5897 34.6133 13.7142 GPRESSAVG: 2840600 -3.41455 -12.5617 40.3879 -13.2924 10.368 38.1489 40.4412 31.6305 13.1791 TIMING: 2840600 CPU: 8472.24, 0.00303608/step Wall: 8472.24, 0.00303608/step, 1.82114 hours remaining, 206.144531 MB of memory in use. ENERGY: 2840600 748.9000 2061.2263 1948.8588 118.2993 -206123.5993 17750.1363 0.0000 0.0000 34059.7037 -149436.4749 297.4519 -183496.1786 -149333.2148 297.4175 -44.6758 -12.9910 557522.2450 6.6725 6.7109 PRESSURE: 2840800 63.0322 -188.722 -27.7507 -188.721 49.3963 -12.445 -27.7509 -12.4454 280.877 GPRESSURE: 2840800 81.0414 -116.243 -40.3801 -297.303 130.829 -50.9734 -30.4819 28.2495 277.015 PRESSAVG: 2840800 15.4586 -22.2896 10.4703 -22.2895 -22.8797 13.4287 10.4704 13.4288 13.826 GPRESSAVG: 2840800 14.0007 -20.8934 8.71184 -24.327 -22.9105 11.8072 10.2858 16.2757 14.7943 TIMING: 2840800 CPU: 8472.84, 0.00302903/step Wall: 8472.84, 0.00302903/step, 1.81675 hours remaining, 206.144531 MB of memory in use. ENERGY: 2840800 721.8209 2110.0523 1925.8727 114.4756 -206556.5938 17834.0687 0.0000 0.0000 34298.0064 -149552.2972 299.5330 -183850.3036 -149456.2518 299.3833 131.1018 162.9619 555103.9373 2.1350 1.9615 PRESSURE: 2841000 -147.472 -27.7613 116.498 -27.7619 -296.655 75.7818 116.498 75.7827 -103.596 GPRESSURE: 2841000 -65.7256 -73.5478 125 -69.9325 -290.588 107.51 107.7 81.1476 -105.933 PRESSAVG: 2841000 21.8193 -0.101567 -14.1926 -0.101516 -19.4577 59.1498 -14.1927 59.1498 41.2674 GPRESSAVG: 2841000 24.8425 -1.61588 -13.3925 1.85873 -21.1982 59.6245 -13.8149 56.5186 39.9038 TIMING: 2841000 CPU: 8473.44, 0.00299633/step Wall: 8473.44, 0.00299633/step, 1.79697 hours remaining, 206.144531 MB of memory in use. ENERGY: 2841000 777.6315 2052.0786 1951.6487 113.2848 -206022.3328 17535.4469 0.0000 0.0000 33963.6121 -149628.6302 296.6127 -183592.2423 -149535.4551 298.8022 -182.5743 -154.0824 557165.6784 14.5430 14.5160 PRESSURE: 2841200 -270.786 -291.977 -6.46058 -291.978 43.2652 0.643521 -6.4594 0.645009 84.7738 GPRESSURE: 2841200 -257.009 -301.181 46.3243 -262.698 115.579 -37.1222 -23.6803 -93.3642 92.9136 PRESSAVG: 2841200 47.7382 -64.6887 18.3613 -64.6888 -84.0227 15.7107 18.3615 15.7107 1.67967 GPRESSAVG: 2841200 45.2766 -63.3511 16.9512 -64.5076 -81.7562 15.0696 18.034 18.9304 1.91738 TIMING: 2841200 CPU: 8474.04, 0.00300699/step Wall: 8474.04, 0.00300699/step, 1.80319 hours remaining, 206.144531 MB of memory in use. ENERGY: 2841200 776.8765 2052.6750 1949.0874 131.4157 -206508.3608 17936.7128 0.0000 0.0000 34052.5263 -149609.0670 297.3892 -183661.5934 -149511.5309 297.6168 -47.5824 -16.1722 557040.8714 -11.5349 -11.5207 PRESSURE: 2841400 259.151 131.418 -81.8601 131.418 -147.222 48.8401 -81.8591 48.8399 305.296 GPRESSURE: 2841400 281.112 71.1307 -82.8711 128.673 -139.613 48.486 -32.0065 56.1845 377.152 PRESSAVG: 2841400 67.8486 -28.3068 14.2279 -28.3067 17.1088 53.6782 14.228 53.6782 -56.8419 GPRESSAVG: 2841400 67.2196 -29.337 16.7528 -27.6955 16.7313 55.1657 14.7309 49.2287 -55.8524 TIMING: 2841400 CPU: 8474.65, 0.00304525/step Wall: 8474.65, 0.00304525/step, 1.82596 hours remaining, 206.144531 MB of memory in use. ENERGY: 2841400 712.1179 2064.6173 1941.2138 102.2774 -206722.4066 18142.3135 0.0000 0.0000 34157.3770 -149602.4897 298.3049 -183759.8667 -149507.8555 298.4435 139.0749 172.8835 557057.6107 9.3718 9.3662 PRESSURE: 2841600 -25.639 47.4001 43.6933 47.4008 -140.904 70.2944 43.6947 70.2954 -7.75874 GPRESSURE: 2841600 43.3364 17.0701 27.8441 26.3425 -94.0284 87.8534 35.4075 14.2537 -24.162 PRESSAVG: 2841600 3.00424 -11.5386 10.276 -11.5385 21.6827 1.02976 10.2762 1.02978 -26.0535 GPRESSAVG: 2841600 3.05147 -11.648 10.3879 -13.3725 21.5546 -0.443309 10.3205 2.19299 -26.1373 TIMING: 2841600 CPU: 8475.26, 0.00304298/step Wall: 8475.26, 0.00304298/step, 1.82444 hours remaining, 206.144531 MB of memory in use. ENERGY: 2841600 747.3821 2031.4244 1933.1569 111.8778 -206419.4218 17900.3458 0.0000 0.0000 34195.4455 -149499.7893 298.6373 -183695.2348 -149405.3472 298.2133 -58.1006 -24.9513 558284.0550 -0.4555 -0.5104 PRESSURE: 2841800 -127.615 89.9877 227.107 89.9878 -114.026 -126.671 227.108 -126.669 -6.7888 GPRESSURE: 2841800 -102.318 123.158 161.028 58.0424 -84.5966 -75.6334 122.256 -154.104 22.123 PRESSAVG: 2841800 54.3742 22.2786 -6.49982 22.2787 -77.9115 41.5805 -6.49974 41.5806 38.9228 GPRESSAVG: 2841800 54.4469 21.6673 -8.26534 22.8694 -78.3644 41.2528 -5.92378 42.0027 39.0861 TIMING: 2841800 CPU: 8475.87, 0.00304665/step Wall: 8475.87, 0.00304665/step, 1.82646 hours remaining, 206.144531 MB of memory in use. ENERGY: 2841800 757.9400 2001.9505 1942.5048 111.7561 -206152.1145 17681.8001 0.0000 0.0000 34214.8350 -149441.3279 298.8067 -183656.1629 -149340.5847 298.7045 -82.8100 -54.9304 557059.0571 5.1285 5.0562 PRESSURE: 2842000 -341.383 16.2281 -19.7739 16.2281 70.4288 43.5479 -19.7737 43.548 29.1491 GPRESSURE: 2842000 -268.918 122.597 -88.8263 21.4668 103.485 -3.12405 -31.703 23.1549 27.5386 PRESSAVG: 2842000 -41.8049 21.9334 62.113 21.9334 -12.2556 22.7081 62.113 22.7081 -1.98893 GPRESSAVG: 2842000 -40.7671 22.0969 62.9129 22.609 -13.4853 21.287 59.4808 22.7618 -1.62416 TIMING: 2842000 CPU: 8476.49, 0.0030824/step Wall: 8476.49, 0.0030824/step, 1.84773 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: 2842000 762.0297 2133.5825 1940.2614 113.1467 -206341.0207 17711.0643 0.0000 0.0000 34160.7960 -149520.1400 298.3347 -183680.9361 -149425.8077 298.5317 -80.6016 -45.9645 557403.5686 -18.6831 -18.6255 PRESSURE: 2842200 243.571 5.78028 96.4215 5.78026 30.1497 -134.108 96.4216 -134.108 193.508 GPRESSURE: 2842200 331.954 -49.7932 115.961 -69.8624 55.6574 -152.391 119.721 -58.7483 182.963 PRESSAVG: 2842200 39.1672 -5.26619 12.6204 -5.26628 -27.7153 39.447 12.6205 39.4471 -11.2724 GPRESSAVG: 2842200 39.0644 -4.82696 11.7939 -5.5185 -25.5941 42.787 15.0618 40.4861 -13.4952 TIMING: 2842200 CPU: 8477.1, 0.00304388/step Wall: 8477.1, 0.00304388/step, 1.82447 hours remaining, 206.144531 MB of memory in use. ENERGY: 2842200 710.6957 2165.1195 1940.7018 113.2892 -206526.6240 17992.6353 0.0000 0.0000 34077.4349 -149526.7476 297.6067 -183604.1825 -149431.0930 298.4338 155.7431 190.1914 556110.4728 0.0598 -0.0083 PRESSURE: 2842400 -8.44894 -130.686 -38.43 -130.688 11.9649 49.7267 -38.4305 49.7262 -113.682 GPRESSURE: 2842400 6.5267 -76.4089 -26.5854 -103.82 7.39888 13.6339 -41.9327 50.3885 -22.717 PRESSAVG: 2842400 38.4279 -53.5559 -47.7364 -53.556 -22.4171 36.0879 -47.7364 36.0879 -19.3393 GPRESSAVG: 2842400 38.6213 -53.7635 -46.8179 -53.837 -23.7329 33.4336 -47.9888 36.7491 -18.3471 TIMING: 2842400 CPU: 8477.71, 0.00305937/step Wall: 8477.71, 0.00305937/step, 1.83358 hours remaining, 206.144531 MB of memory in use. ENERGY: 2842400 767.7938 2130.7321 1935.7337 102.9140 -206188.6496 17823.7771 0.0000 0.0000 33940.0039 -149487.6951 296.4065 -183427.6990 -149394.4595 298.6395 -36.7220 -2.9305 557834.5606 -1.1095 -1.1529 PRESSURE: 2842600 36.2492 -95.3774 -150.626 -95.3778 190.732 81.0804 -150.627 81.0789 -85.1413 GPRESSURE: 2842600 61.122 -153.155 -233.056 -107.247 205.536 78.7563 -79.3924 88.6149 -15.1287 PRESSAVG: 2842600 5.07738 -26.6172 -30.1054 -26.6173 -62.3915 38.6263 -30.1054 38.6264 63.3997 GPRESSAVG: 2842600 4.72883 -27.1298 -29.1628 -26.7585 -62.6288 39.5652 -31.4312 39.0145 64.5531 TIMING: 2842600 CPU: 8478.32, 0.00305883/step Wall: 8478.32, 0.00305883/step, 1.83309 hours remaining, 206.144531 MB of memory in use. ENERGY: 2842600 685.2403 2099.8852 1954.8767 117.0920 -206402.6121 17873.4708 0.0000 0.0000 34085.4453 -149586.6018 297.6767 -183672.0471 -149491.0351 297.8953 47.2800 83.8432 557130.2829 2.0285 2.2177 PRESSURE: 2842800 111.622 74.7892 71.8848 74.7898 -105.234 -100.124 71.8858 -100.124 148.906 GPRESSURE: 2842800 179.779 137.635 86.9279 -8.08068 -90.494 -73.415 12.069 -106.119 159.978 PRESSAVG: 2842800 4.48511 -9.90665 -50.9995 -9.90669 18.3542 -36.2158 -50.9995 -36.2158 -13.6872 GPRESSAVG: 2842800 4.08142 -8.6802 -52.0979 -9.49936 19.6229 -38.5671 -50.6097 -36.6615 -14.3072 TIMING: 2842800 CPU: 8478.93, 0.00303819/step Wall: 8478.93, 0.00303819/step, 1.82055 hours remaining, 206.144531 MB of memory in use. ENERGY: 2842800 702.0224 2122.5739 1933.1641 116.6085 -206725.5065 17893.1330 0.0000 0.0000 34326.2552 -149631.7493 299.7797 -183958.0045 -149540.2553 298.4449 51.7646 83.0875 555470.9218 3.0507 3.1324 PRESSURE: 2843000 -399.365 45.749 3.02269 45.7484 -43.4802 -26.4308 3.02255 -26.4299 -61.1747 GPRESSURE: 2843000 -372.7 -36.2112 -54.9187 137.946 -35.9036 -2.80647 17.2305 -95.3381 12.8799 PRESSAVG: 2843000 16.6454 66.899 -24.6121 66.8989 -7.24878 -19.7988 -24.6123 -19.7989 43.3219 GPRESSAVG: 2843000 18.3052 64.7586 -24.7084 68.4473 -8.52714 -19.1061 -25.1258 -18.9449 43.4839 TIMING: 2843000 CPU: 8479.54, 0.00304405/step Wall: 8479.54, 0.00304405/step, 1.82389 hours remaining, 206.144531 MB of memory in use. ENERGY: 2843000 732.1043 2031.6325 1940.1100 114.3882 -206456.1838 17731.3900 0.0000 0.0000 34248.5851 -149657.9735 299.1014 -183906.5587 -149557.3736 298.2443 -168.0067 -131.9079 556936.0184 17.5728 17.7540 PRESSURE: 2843200 -136.081 34.6142 -30.7715 34.6139 128.68 28.4958 -30.7713 28.4964 76.4982 GPRESSURE: 2843200 -72.9155 9.34506 63.5217 78.3795 117.025 53.9843 -56.8476 -7.43117 111.488 PRESSAVG: 2843200 -6.39556 52.2874 -3.76809 52.2874 -6.12414 13.4218 -3.76802 13.4217 10.4583 GPRESSAVG: 2843200 -7.75397 53.8847 -2.30306 51.2488 -6.03816 16.9478 -4.66255 10.6564 11.0166 TIMING: 2843200 CPU: 8480.14, 0.00301415/step Wall: 8480.14, 0.00301415/step, 1.80581 hours remaining, 206.144531 MB of memory in use. ENERGY: 2843200 753.2892 2006.3658 1932.6114 112.7216 -206775.6481 17993.6815 0.0000 0.0000 34221.9331 -149755.0454 298.8687 -183976.9785 -149661.1545 297.5448 23.0323 51.8659 556087.9646 -0.6871 -0.9252 PRESSURE: 2843400 -237.818 54.593 62.4951 54.5936 96.7841 -62.8115 62.4962 -62.8121 25.2056 GPRESSURE: 2843400 -130.355 34.1072 61.606 6.06555 70.727 -16.6191 85.9081 -24.9343 32.5909 PRESSAVG: 2843400 -30.7673 12.2782 -6.12108 12.2782 27.5481 -13.8809 -6.12099 -13.8809 34.2491 GPRESSAVG: 2843400 -31.4317 11.713 -7.77502 11.7747 27.5886 -14.242 -3.23115 -11.7453 34.9956 TIMING: 2843400 CPU: 8480.74, 0.00301476/step Wall: 8480.74, 0.00301476/step, 1.80601 hours remaining, 206.144531 MB of memory in use. ENERGY: 2843400 746.9772 1989.7164 1940.6565 112.1062 -206354.1977 17804.5330 0.0000 0.0000 34203.2275 -149556.9810 298.7053 -183760.2085 -149468.2026 298.0375 -38.6095 -9.0124 557305.0200 10.3433 10.3842 PRESSURE: 2843600 -133.708 123.027 -41.0868 123.026 -87.1041 14.8851 -41.086 14.8847 180.498 GPRESSURE: 2843600 -71.6816 50.8194 -74.8659 190.273 -76.1825 56.5147 -9.05575 -9.05767 198.157 PRESSAVG: 2843600 -6.42978 24.7201 19.7922 24.72 39.1099 12.6659 19.7922 12.6659 -9.06004 GPRESSAVG: 2843600 -5.35918 23.6965 19.5658 25.2168 38.104 11.6053 20.9454 10.6978 -9.73591 TIMING: 2843600 CPU: 8481.34, 0.00300507/step Wall: 8481.34, 0.00300507/step, 1.80004 hours remaining, 206.144531 MB of memory in use. ENERGY: 2843600 713.6352 2035.1977 1956.1627 107.1703 -206145.5351 17725.3549 0.0000 0.0000 34212.6362 -149395.3781 298.7875 -183608.0143 -149299.6029 298.9015 -13.4380 16.7642 557953.6173 7.8734 7.6696 PRESSURE: 2843800 -220.414 192.873 6.80491 192.873 -124.273 189.309 6.80364 189.308 -55.3354 GPRESSURE: 2843800 -132.519 245.45 9.37435 205.799 -99.3795 221.03 -23.4613 112.892 -61.1498 PRESSAVG: 2843800 -21.6186 -2.85975 6.47084 -2.85976 -7.93673 -4.20938 6.47091 -4.20933 82.9466 GPRESSAVG: 2843800 -21.9426 -1.28746 7.40956 -2.05046 -7.24528 -5.30144 3.27063 -2.15089 82.9161 TIMING: 2843800 CPU: 8481.94, 0.00301336/step Wall: 8481.94, 0.00301336/step, 1.80484 hours remaining, 206.144531 MB of memory in use. ENERGY: 2843800 725.7146 2063.3826 1939.8617 117.0270 -206021.4174 17576.8829 0.0000 0.0000 34217.9727 -149380.5760 298.8341 -183598.5487 -149287.0365 299.2168 -133.3408 -97.6827 556460.0087 17.7971 17.9094 PRESSURE: 2844000 -22.909 -67.5904 120.021 -67.5904 57.7125 -102.737 120.021 -102.738 -165.279 GPRESSURE: 2844000 -4.47214 -82.4313 121.09 11.727 65.9524 -63.1202 76.0813 -97.6896 -98.3993 PRESSAVG: 2844000 -3.58363 10.023 -40.5873 10.0231 19.263 -4.89973 -40.5873 -4.8996 -2.77462 GPRESSAVG: 2844000 -3.77251 10.1328 -42.006 9.77757 19.4182 -3.25049 -37.5553 -5.19376 -2.8102 TIMING: 2844000 CPU: 8482.55, 0.00301834/step Wall: 8482.55, 0.00301834/step, 1.80765 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: 2844000 739.5560 2097.4373 1951.2811 108.0811 -206269.7021 17797.3949 0.0000 0.0000 34099.2648 -149476.6869 297.7974 -183575.9517 -149379.5105 299.2281 -43.4918 -12.3063 557549.7223 4.3016 4.2785 PRESSURE: 2844200 -40.2352 -39.4377 -72.4615 -39.4355 -201.659 -83.1208 -72.4625 -83.1193 -152.995 GPRESSURE: 2844200 -30.2323 -34.0599 -81.9455 -117.549 -118.647 1.82273 -13.7897 -208.006 -147.175 PRESSAVG: 2844200 0.853617 14.804 -17.7 14.804 70.2431 -2.0902 -17.7 -2.09029 -24.3388 GPRESSAVG: 2844200 0.819642 14.5018 -18.0842 13.9428 70.7934 0.437041 -17.0425 -3.28122 -24.9059 TIMING: 2844200 CPU: 8483.16, 0.00305542/step Wall: 8483.16, 0.00305542/step, 1.82969 hours remaining, 206.144531 MB of memory in use. ENERGY: 2844200 758.6072 2074.1923 1953.7254 109.5626 -206342.2368 17730.0242 0.0000 0.0000 33986.0007 -149730.1243 296.8082 -183716.1250 -149629.0421 298.8680 -131.6296 -98.6849 558373.0244 15.5860 15.5690 LDB: ============= START OF LOAD BALANCING ============== 8486.59 LDB: ============== END OF LOAD BALANCING =============== 8486.59 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8486.59 LDB: ============= START OF LOAD BALANCING ============== 8486.89 LDB: Largest compute 4821 load 0.026030 is 22.1% of average load 0.117948 LDB: Average compute 0.001752 is 1.5% of average load 0.117948 LDB: TIME 8486.89 LOAD: AVG 0.117948 MAX 0.208403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 8486.89 LOAD: AVG 0.117948 MAX 0.208403 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.953 MB LDB: TIME 8486.89 LOAD: AVG 0.117948 MAX 0.208403 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.953 MB LDB: ============== END OF LOAD BALANCING =============== 8486.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8486.9 PRESSURE: 2844400 -252.468 -52.497 -15.7684 -52.4968 387.283 25.2366 -15.7678 25.2374 138.366 GPRESSURE: 2844400 -197.683 -133.238 -29.2107 -3.58366 351.851 35.9668 -54.8733 19.4714 215.46 PRESSAVG: 2844400 -29.7918 -9.0317 -36.7322 -9.03179 39.8282 -10.6448 -36.7323 -10.6447 -9.8046 GPRESSAVG: 2844400 -29.5499 -9.55691 -36.3226 -8.57529 38.8626 -11.4795 -37.5239 -11.3768 -8.94239 TIMING: 2844400 CPU: 8483.77, 0.00305726/step Wall: 8483.77, 0.00305726/step, 1.83062 hours remaining, 206.933594 MB of memory in use. ENERGY: 2844400 722.5851 2067.7176 1966.6853 105.9901 -206953.0523 18103.2869 0.0000 0.0000 34108.6293 -149878.1580 297.8791 -183986.7872 -149778.5899 297.2009 91.0601 123.2095 557558.3661 0.0773 0.1234 PRESSURE: 2844600 -143.965 8.24441 -14.7043 8.24505 -197.722 -61.1385 -14.705 -61.1389 57.8908 GPRESSURE: 2844600 -92.0841 61.1484 -53.7831 -11.6079 -190.939 31.5887 -4.6337 -69.1417 90.735 PRESSAVG: 2844600 -12.9384 0.0851617 14.06 0.0852221 21.5917 -1.71688 14.06 -1.7169 -9.69162 GPRESSAVG: 2844600 -13.3648 -0.326251 17.5547 2.37293 21.8021 -4.47957 12.4704 1.07731 -9.82557 TIMING: 2844600 CPU: 8484.37, 0.00301369/step Wall: 8484.37, 0.00301369/step, 1.80436 hours remaining, 207.003906 MB of memory in use. ENERGY: 2844600 720.8027 2050.4072 1943.6111 121.3729 -206422.6577 17804.9289 0.0000 0.0000 34017.3818 -149764.1530 297.0823 -183781.5348 -149668.4924 298.0485 -94.5987 -64.0960 558897.0659 -0.3461 -0.4628 PRESSURE: 2844800 323.643 5.18585 147.432 5.18513 176.127 -228.794 147.432 -228.794 224.873 GPRESSURE: 2844800 343.147 -82.5686 171.867 -21.2039 214.93 -176.95 166.776 -225.401 269.444 PRESSAVG: 2844800 28.9577 38.4161 -7.34931 38.4161 -11.2287 -31.3845 -7.34929 -31.3844 19.9701 GPRESSAVG: 2844800 29.852 41.6143 -11.0587 36.6214 -11.5374 -29.2253 -4.18616 -32.3714 19.6941 TIMING: 2844800 CPU: 8484.97, 0.00298561/step Wall: 8484.97, 0.00298561/step, 1.78738 hours remaining, 207.003906 MB of memory in use. ENERGY: 2844800 738.1453 2044.4573 1945.0100 109.7172 -206851.4774 18267.0230 0.0000 0.0000 33989.0646 -149758.0599 296.8350 -183747.1245 -149660.1205 297.7343 241.5478 275.8402 556851.7912 12.5664 12.6696 PRESSURE: 2845000 -68.1178 -47.3518 134.811 -47.3517 129.21 -56.2472 134.812 -56.2469 40.1312 GPRESSURE: 2845000 -26.5639 -111.893 96.3792 -60.5858 169.558 -48.2845 10.0487 -110.4 59.0389 PRESSAVG: 2845000 33.882 16.8097 42.7197 16.8097 -1.36471 -19.8238 42.7196 -19.8237 -52.9858 GPRESSAVG: 2845000 32.5074 14.9916 44.287 16.8851 -0.312608 -19.6748 39.8147 -19.6009 -52.1553 TIMING: 2845000 CPU: 8485.57, 0.00299629/step Wall: 8485.57, 0.00299629/step, 1.79361 hours remaining, 207.003906 MB of memory in use. ENERGY: 2845000 743.6401 2072.7965 1941.5690 96.4069 -206742.6937 17952.2212 0.0000 0.0000 34346.5840 -149589.4760 299.9573 -183936.0601 -149495.6075 297.3448 33.7411 67.3442 557177.3401 -6.8228 -6.6535 PRESSURE: 2845200 139.898 103.001 182.138 103.002 -188.445 82.5809 182.137 82.581 -206.432 GPRESSURE: 2845200 137.787 103.697 218.051 64.3603 -198.654 108.1 165.774 79.0945 -96.3331 PRESSAVG: 2845200 50.327 13.7506 34.5472 13.7505 -52.1526 3.77223 34.547 3.77222 25.5043 GPRESSAVG: 2845200 49.6459 14.46 35.1896 14.6685 -51.8174 3.31243 35.019 4.94892 25.2336 TIMING: 2845200 CPU: 8486.17, 0.00301761/step Wall: 8486.17, 0.00301761/step, 1.80621 hours remaining, 207.003906 MB of memory in use. ENERGY: 2845200 731.2740 2110.5998 1931.4490 121.0365 -206568.6457 17847.6743 0.0000 0.0000 34174.1283 -149652.4837 298.4512 -183826.6120 -149564.4327 298.1222 -84.9929 -52.4000 556062.0543 7.8929 7.6874 PRESSURE: 2845400 210.382 15.6888 -148.395 15.6899 -138.997 6.93992 -148.394 6.94035 -91.2553 GPRESSURE: 2845400 276.539 24.5845 -104.735 -58.6518 -91.7161 28.22 -131.16 -81.2499 -111.447 PRESSAVG: 2845400 99.4695 20.2523 -0.184533 20.2522 -79.7978 -45.8776 -0.184488 -45.8776 -9.05646 GPRESSAVG: 2845400 100.5 19.6217 -0.428648 19.6126 -80.2169 -45.1726 0.230377 -50.0181 -9.04209 TIMING: 2845400 CPU: 8486.78, 0.00302046/step Wall: 8486.78, 0.00302046/step, 1.80775 hours remaining, 207.003906 MB of memory in use. ENERGY: 2845400 695.2856 2066.0086 1932.2482 117.1286 -206251.2458 17741.1081 0.0000 0.0000 34163.8758 -149535.5909 298.3616 -183699.4666 -149434.9596 298.5183 -6.6236 24.4588 557015.6643 3.5384 3.7471 PRESSURE: 2845600 -63.0276 141.144 59.9615 141.143 -153.515 -19.3369 59.9612 -19.3354 139.999 GPRESSURE: 2845600 -43.6372 161.049 48.0006 129.208 -121.721 -29.5142 24.6334 63.0808 195.103 PRESSAVG: 2845600 10.5871 42.5502 -4.62383 42.5502 -59.1221 -41.2325 -4.62388 -41.2324 86.5223 GPRESSAVG: 2845600 11.4007 42.1364 -5.23293 41.1132 -58.5894 -40.3021 -5.3426 -37.8453 85.341 TIMING: 2845600 CPU: 8487.39, 0.00304086/step Wall: 8487.39, 0.00304086/step, 1.81979 hours remaining, 207.003906 MB of memory in use. ENERGY: 2845600 777.6850 2038.8808 1948.9115 99.6737 -206410.1429 17888.0389 0.0000 0.0000 34024.7320 -149632.2210 297.1464 -183656.9531 -149534.6635 298.0277 -25.5144 9.9148 557920.5507 12.6625 12.7174 PRESSURE: 2845800 -353.242 111.198 94.1844 111.198 177.635 -40.284 94.1867 -40.282 172.462 GPRESSURE: 2845800 -241.966 64.5096 150.264 21.5729 169.414 -45.3635 47.137 0.38075 165.19 PRESSAVG: 2845800 -77.6735 71.9753 -22.7447 71.9752 -53.2248 -46.0944 -22.7447 -46.0944 104.67 GPRESSAVG: 2845800 -77.3932 73.3906 -20.9655 73.2356 -54.507 -48.5703 -23.4975 -44.8839 105.01 TIMING: 2845800 CPU: 8487.99, 0.00302403/step Wall: 8487.99, 0.00302403/step, 1.80955 hours remaining, 207.003906 MB of memory in use. ENERGY: 2845800 747.3311 2089.9566 1923.4271 107.3900 -206657.3351 17917.7483 0.0000 0.0000 34184.3955 -149687.0864 298.5408 -183871.4819 -149590.7792 297.9532 -1.0482 30.8793 556746.3859 -8.7429 -8.9632 PRESSURE: 2846000 -146.13 -132.03 -32.6997 -132.03 -12.5082 163.596 -32.7006 163.597 -21.3257 GPRESSURE: 2846000 -96.0355 -133.603 -77.5327 -46.2275 -16.3285 139.022 -62.0051 209.716 33.3002 PRESSAVG: 2846000 -68.2811 43.4366 -8.15522 43.4366 28.0285 -39.5298 -8.15526 -39.5297 38.7367 GPRESSAVG: 2846000 -69.0978 41.9704 -9.20267 42.8105 28.2211 -39.4337 -7.37029 -41.8934 39.0547 TIMING: 2846000 CPU: 8488.6, 0.0030252/step Wall: 8488.6, 0.0030252/step, 1.81008 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: 2846000 693.8093 2105.2838 1967.2374 104.0584 -206338.5739 17798.1061 0.0000 0.0000 34144.1907 -149525.8882 298.1897 -183670.0789 -149431.8387 298.0299 -59.9880 -26.3546 557204.8971 -0.5053 -0.6073 PRESSURE: 2846200 231.75 -105.665 132.349 -105.664 117.885 105.321 132.349 105.321 9.73509 GPRESSURE: 2846200 290.095 -72.6911 80.9848 -90.6952 73.9152 83.3909 178.743 41.6262 84.7177 PRESSAVG: 2846200 -64.3191 6.16073 -43.3934 6.16072 -0.141424 67.1623 -43.3934 67.1622 53.0682 GPRESSAVG: 2846200 -64.4674 5.11514 -42.506 6.70007 0.405401 68.0916 -43.2388 68.4499 52.5592 TIMING: 2846200 CPU: 8489.2, 0.00303857/step Wall: 8489.2, 0.00303857/step, 1.81791 hours remaining, 207.003906 MB of memory in use. ENERGY: 2846200 694.2067 2102.3711 1941.4735 111.9896 -206368.7668 17926.5626 0.0000 0.0000 34225.8474 -149366.3160 298.9028 -183592.1634 -149267.1945 298.4196 119.7900 149.5761 557674.8676 -3.7975 -3.8342 PRESSURE: 2846400 136.852 -91.3025 95.1114 -91.3036 -118.562 81.6975 95.1112 81.6989 119.777 GPRESSURE: 2846400 168.457 -130.891 2.30232 -49.6734 -98.6842 20.2365 187.856 51.5104 165.854 PRESSAVG: 2846400 49.4522 -6.21288 -8.05428 -6.21285 -65.2724 -5.92076 -8.05425 -5.92072 45.5045 GPRESSAVG: 2846400 48.8891 -6.33919 -6.72581 -7.03782 -64.6239 -5.4597 -8.81144 -5.73579 45.2837 TIMING: 2846400 CPU: 8489.81, 0.00304378/step Wall: 8489.81, 0.00304378/step, 1.82086 hours remaining, 207.003906 MB of memory in use. ENERGY: 2846400 725.9872 2053.2575 1920.2938 117.1785 -206520.2365 17954.2461 0.0000 0.0000 34276.8083 -149472.4652 299.3479 -183749.2735 -149371.9433 298.4896 46.0223 78.5423 557580.7226 9.8947 9.8496 PRESSURE: 2846600 -183.239 10.4539 62.488 10.4546 -146.733 12.6614 62.4883 12.6642 338.764 GPRESSURE: 2846600 -150.346 86.3597 73.3682 -21.4139 -127.394 110.494 -8.58032 -77.2303 386.193 PRESSAVG: 2846600 22.5677 6.64555 -6.66093 6.64561 -67.2099 28.2424 -6.66091 28.2424 71.1755 GPRESSAVG: 2846600 23.6059 7.3509 -8.37377 5.96334 -68.3845 28.5888 -6.27545 28.3303 71.276 TIMING: 2846600 CPU: 8490.42, 0.0030376/step Wall: 8490.42, 0.0030376/step, 1.81699 hours remaining, 207.003906 MB of memory in use. ENERGY: 2846600 723.1798 2067.5235 1932.9800 117.1668 -206452.0165 17846.4207 0.0000 0.0000 34367.0994 -149397.6464 300.1364 -183764.7457 -149310.3223 299.1480 2.9305 36.1510 557765.4075 8.8444 8.8325 PRESSURE: 2846800 -68.6702 20.6018 -43.3315 20.6026 102.633 111.032 -43.3305 111.031 185.39 GPRESSURE: 2846800 5.64653 -9.79453 35.3876 -31.4119 120.791 49.4802 -39.0044 152.278 191.764 PRESSAVG: 2846800 -26.7275 28.771 -37.5441 28.771 -38.4616 13.3952 -37.5441 13.3953 67.2581 GPRESSAVG: 2846800 -27.1271 28.5536 -36.8506 27.6982 -38.002 12.4826 -36.5895 11.3652 66.7122 TIMING: 2846800 CPU: 8491.03, 0.00303463/step Wall: 8491.03, 0.00303463/step, 1.81505 hours remaining, 207.003906 MB of memory in use. ENERGY: 2846800 733.2769 2087.2831 1940.2295 107.7556 -206315.9048 18012.8411 0.0000 0.0000 34119.7590 -149314.7597 297.9763 -183434.5187 -149228.7118 298.4065 73.1175 106.0671 557730.7953 0.6897 0.5277 PRESSURE: 2847000 -41.8164 -101.139 14.9305 -101.138 -160.486 -31.7166 14.9296 -31.717 -190.834 GPRESSURE: 2847000 -37.9479 -125.504 37.1691 -194.784 -121.751 -73.8611 -32.0307 14.2116 -139.849 PRESSAVG: 2847000 -5.02133 -42.4346 -60.299 -42.4346 -8.80405 -30.703 -60.299 -30.7031 -14.3067 GPRESSAVG: 2847000 -5.36809 -44.1973 -60.524 -39.6687 -9.44436 -31.3097 -60.3765 -28.5538 -13.0365 TIMING: 2847000 CPU: 8491.63, 0.00301468/step Wall: 8491.63, 0.00301468/step, 1.80294 hours remaining, 207.003906 MB of memory in use. ENERGY: 2847000 736.4013 2067.4943 1940.1016 111.1863 -205763.3387 17576.7339 0.0000 0.0000 34204.2806 -149127.1407 298.7145 -183331.4213 -149035.7063 299.0762 -131.0456 -99.8492 558431.1771 -9.3774 -9.2830 PRESSURE: 2847200 -234.39 -96.8804 -99.0324 -96.8791 196.974 -31.4053 -99.0319 -31.4057 -219.297 GPRESSURE: 2847200 -204.078 -122.139 -94.0959 -92.5984 221.531 -60.6308 -86.5488 8.40422 -186.489 PRESSAVG: 2847200 -28.905 30.3692 6.02857 30.3692 125.594 65.0845 6.02863 65.0845 -78.6912 GPRESSAVG: 2847200 -28.2856 31.815 6.01301 29.6821 125.071 66.7071 5.52425 64.2563 -78.9993 TIMING: 2847200 CPU: 8492.24, 0.00304379/step Wall: 8492.24, 0.00304379/step, 1.82019 hours remaining, 207.003906 MB of memory in use. ENERGY: 2847200 778.6441 2109.5563 1911.9044 105.0252 -206033.7011 17579.6507 0.0000 0.0000 34282.8051 -149266.1154 299.4003 -183548.9205 -149174.7954 299.5211 -85.5708 -56.3453 556357.7580 5.9992 5.9286 PRESSURE: 2847400 -49.4225 -66.5822 74.3921 -66.5827 169.535 180.304 74.3923 180.304 -108.752 GPRESSURE: 2847400 4.40814 8.64391 42.5104 -16.6898 185.841 186.702 33.1229 139.838 -77.5881 PRESSAVG: 2847400 15.3411 -3.29565 -62.1819 -3.29565 37.0929 -29.3416 -62.1819 -29.3416 -17.0098 GPRESSAVG: 2847400 14.9616 -3.11928 -62.6382 -2.03495 38.1939 -28.9353 -60.8614 -29.4936 -17.4274 TIMING: 2847400 CPU: 8492.85, 0.00304556/step Wall: 8492.85, 0.00304556/step, 1.82107 hours remaining, 207.003906 MB of memory in use. ENERGY: 2847400 768.2583 2166.9536 1905.3949 104.4062 -206348.2984 17797.5291 0.0000 0.0000 34203.0998 -149402.6565 298.7042 -183605.7563 -149317.8076 298.9403 3.7866 37.5536 557848.2699 11.8081 11.9094 PRESSURE: 2847600 -235.092 -6.64156 24.5986 -6.64097 41.7508 -102.544 24.5991 -102.544 -278.103 GPRESSURE: 2847600 -183.302 6.38146 77.6157 15.1048 59.371 -122.735 0.532767 -114.469 -240.744 PRESSAVG: 2847600 42.4502 -5.27379 -8.12581 -5.27394 -24.5587 45.4445 -8.12573 45.4444 -43.8539 GPRESSAVG: 2847600 41.671 -3.57214 -6.92091 -7.90439 -24.3957 45.3856 -9.81035 46.0807 -43.4335 TIMING: 2847600 CPU: 8493.46, 0.00307292/step Wall: 8493.46, 0.00307292/step, 1.83727 hours remaining, 207.003906 MB of memory in use. ENERGY: 2847600 753.6792 2041.1679 1939.4668 114.9884 -206074.3195 17675.4955 0.0000 0.0000 34210.5612 -149338.9605 298.7693 -183549.5217 -149244.8080 298.4587 -157.1482 -121.5584 557556.3863 -8.6541 -8.7194 PRESSURE: 2847800 11.8978 47.9942 222.249 47.9938 47.8474 44.2546 222.249 44.2552 -7.64732 GPRESSURE: 2847800 49.9253 -1.3066 238.765 -27.5681 70.3258 15.3416 88.5028 57.8177 24.1773 PRESSAVG: 2847800 62.4654 -18.0348 15.0371 -18.0348 32.1629 9.46305 15.0371 9.46313 -80.6908 GPRESSAVG: 2847800 62.0492 -20.9531 14.1563 -16.6288 32.8911 10.1478 16.654 10.9655 -80.914 TIMING: 2847800 CPU: 8494.07, 0.00302317/step Wall: 8494.07, 0.00302317/step, 1.80735 hours remaining, 207.003906 MB of memory in use. ENERGY: 2847800 748.9118 2071.7881 1923.9234 117.8956 -206493.8369 17998.2852 0.0000 0.0000 34266.3125 -149366.7204 299.2562 -183633.0328 -149265.7743 299.3877 17.3660 48.1428 558124.7387 4.6458 4.6754 PRESSURE: 2848000 83.296 123.434 8.91932 123.436 -31.6905 -3.85128 8.91919 -3.85155 -209.633 GPRESSURE: 2848000 79.9092 217.523 36.6711 94.1331 -23.039 -82.5673 -16.2814 11.0847 -124.516 PRESSAVG: 2848000 53.9145 -26.5187 36.5971 -26.5186 -53.7016 -24.2723 36.5971 -24.2724 -7.81076 GPRESSAVG: 2848000 54.0127 -25.0644 36.83 -27.4111 -54.0088 -25.1622 37.7786 -23.5365 -7.62185 TIMING: 2848000 CPU: 8494.67, 0.00301756/step Wall: 8494.67, 0.00301756/step, 1.80383 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: 2848000 764.5721 2052.7393 1935.2200 104.9007 -206397.9016 17831.2911 0.0000 0.0000 34305.8919 -149403.2865 299.6019 -183709.1784 -149312.5113 298.8477 -52.6759 -22.5485 558175.0096 -2.5326 -2.5393 PRESSURE: 2848200 129.873 -1.2671 45.5573 -1.26749 268.959 16.2809 45.5574 16.281 99.8013 GPRESSURE: 2848200 200.936 49.8871 27.6907 -37.087 224.186 56.0663 68.0543 -18.8833 160.07 PRESSAVG: 2848200 19.3539 1.83285 56.4582 1.83295 22.8941 18.2643 56.4582 18.2642 -18.5602 GPRESSAVG: 2848200 19.2641 0.821383 55.8922 1.61748 23.2566 18.0369 55.051 14.521 -19 TIMING: 2848200 CPU: 8495.27, 0.00301929/step Wall: 8495.27, 0.00301929/step, 1.8047 hours remaining, 207.003906 MB of memory in use. ENERGY: 2848200 733.5030 2109.5464 1934.0384 117.8643 -206649.0273 18077.0188 0.0000 0.0000 34292.1251 -149384.9313 299.4817 -183677.0564 -149285.3291 298.6876 166.2113 195.0641 557699.2269 7.8959 7.8402 LDB: ============= START OF LOAD BALANCING ============== 8498.71 LDB: ============== END OF LOAD BALANCING =============== 8498.71 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8498.71 LDB: ============= START OF LOAD BALANCING ============== 8499.01 LDB: Largest compute 4821 load 0.027176 is 23.0% of average load 0.117971 LDB: Average compute 0.001749 is 1.5% of average load 0.117971 LDB: TIME 8499.01 LOAD: AVG 0.117971 MAX 0.20891 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.184 MB LDB: TIME 8499.01 LOAD: AVG 0.117971 MAX 0.20891 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.184 MB LDB: TIME 8499.01 LOAD: AVG 0.117971 MAX 0.20891 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.184 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8499.01 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8499.02 PRESSURE: 2848400 -10.3202 19.1944 75.6214 19.1947 -207.387 -75.4126 75.6227 -75.4139 17.8314 GPRESSURE: 2848400 29.0322 -66.4058 72.5553 -27.8918 -163.696 -52.0626 24.0915 -71.9021 19.7398 PRESSAVG: 2848400 29.9977 -46.9437 35.5418 -46.9437 48.8377 -4.90856 35.5418 -4.90864 -59.4327 GPRESSAVG: 2848400 30.849 -46.1022 36.7716 -46.6575 47.7306 -5.26926 36.613 -3.66199 -58.9226 TIMING: 2848400 CPU: 8495.89, 0.00306715/step Wall: 8495.89, 0.00306715/step, 1.83313 hours remaining, 205.027344 MB of memory in use. ENERGY: 2848400 757.6749 2060.1441 1937.0053 109.2124 -206136.7976 17616.7903 0.0000 0.0000 34194.1059 -149461.8646 298.6256 -183655.9705 -149364.0506 298.5442 -66.6253 -38.3080 556510.4328 6.4676 6.5523 PRESSURE: 2848600 32.6425 -24.3817 71.6421 -24.3822 -185.462 -36.0162 71.643 -36.017 -240.393 GPRESSURE: 2848600 26.6842 -14.2913 75.3893 -18.4199 -165.133 50.7806 24.3615 -82.8468 -153.851 PRESSAVG: 2848600 -3.66547 -4.19469 64.7209 -4.19468 -6.20041 -74.095 64.7209 -74.0951 -9.74587 GPRESSAVG: 2848600 -4.49769 -2.90708 62.7057 -4.63191 -5.5393 -74.6944 65.3722 -72.8548 -10.0797 TIMING: 2848600 CPU: 8496.49, 0.00301751/step Wall: 8496.49, 0.00301751/step, 1.8033 hours remaining, 205.027344 MB of memory in use. ENERGY: 2848600 742.1537 2102.1644 1940.1763 117.8030 -206086.5979 17614.0191 0.0000 0.0000 34048.0614 -149522.2200 297.3502 -183570.2814 -149431.5570 298.6304 -131.0707 -97.4331 558557.2297 -6.5372 -6.7056 PRESSURE: 2848800 -97.8922 102.781 34.2623 102.78 -52.3012 9.72516 34.2619 9.72413 -99.1301 GPRESSURE: 2848800 -78.1405 178.284 84.0359 101.328 -37.7359 -48.7009 1.22039 -30.9299 -49.7446 PRESSAVG: 2848800 32.3533 31.0295 1.77826 31.0295 -43.6873 -44.661 1.77828 -44.6609 -9.25239 GPRESSAVG: 2848800 32.1673 29.8763 3.79214 31.2288 -44.2244 -44.1926 -0.132545 -45.6133 -8.41792 TIMING: 2848800 CPU: 8497.1, 0.00303228/step Wall: 8497.1, 0.00303228/step, 1.81195 hours remaining, 205.027344 MB of memory in use. ENERGY: 2848800 759.9043 2059.3778 1927.4648 99.0613 -206281.7720 17738.1521 0.0000 0.0000 34257.7514 -149440.0602 299.1815 -183697.8117 -149350.4330 298.5652 -83.1078 -55.2070 558130.2131 -6.8621 -6.8250 PRESSURE: 2849000 131.288 156.772 119.679 156.772 80.4302 74.6362 119.678 74.6361 216.625 GPRESSURE: 2849000 175.555 107.232 102.119 105.742 139.088 156.724 119.941 -41.7791 221.183 PRESSAVG: 2849000 1.35515 -24.146 3.29959 -24.146 14.6385 -3.45051 3.2996 -3.45054 40.4915 GPRESSAVG: 2849000 1.34397 -24.738 3.12668 -23.0419 15.1836 -2.02064 2.79869 -5.2842 39.7501 TIMING: 2849000 CPU: 8497.7, 0.00302773/step Wall: 8497.7, 0.00302773/step, 1.80907 hours remaining, 205.027344 MB of memory in use. ENERGY: 2849000 731.5459 2060.0624 1938.0587 118.9251 -206364.8992 17992.3646 0.0000 0.0000 34366.0758 -149157.8666 300.1275 -183523.9424 -149060.0923 299.3408 142.7811 178.6090 555417.5646 18.8284 18.7592 PRESSURE: 2849200 44.2026 -127.239 83.5109 -127.241 -46.0349 -175.464 83.51 -175.466 87.047 GPRESSURE: 2849200 98.8369 -191.166 105.167 -166.376 -5.93012 -141.856 -9.03079 -172.034 94.8463 PRESSAVG: 2849200 1.06145 26.3438 62.517 26.3438 -21.3132 -1.2443 62.5169 -1.2445 36.2921 GPRESSAVG: 2849200 1.62773 25.4266 62.5265 26.7234 -21.4253 -3.63896 62.6241 1.87705 35.0441 TIMING: 2849200 CPU: 8498.3, 0.00300124/step Wall: 8498.3, 0.00300124/step, 1.79308 hours remaining, 205.027344 MB of memory in use. ENERGY: 2849200 740.3542 2051.0028 1944.9896 117.9990 -206138.3824 17864.5075 0.0000 0.0000 34232.8152 -149186.7140 298.9637 -183419.5292 -149087.0882 299.5796 28.4049 62.5844 558098.1999 5.3468 5.0822 PRESSURE: 2849400 278.406 -19.8214 -37.2331 -19.8201 -18.116 -28.2347 -37.2323 -28.2358 13.5936 GPRESSURE: 2849400 260.768 -8.85242 -81.8061 -101.56 1.04448 -52.8819 -50.1719 -0.715164 112.921 PRESSAVG: 2849400 -19.5756 -23.4675 4.86399 -23.4676 -42.9345 -6.21451 4.86403 -6.21457 51.3451 GPRESSAVG: 2849400 -19.4849 -21.0069 3.64775 -26.694 -43.3794 -3.86869 5.10705 -6.94916 51.5946 TIMING: 2849400 CPU: 8498.91, 0.00302147/step Wall: 8498.91, 0.00302147/step, 1.80499 hours remaining, 205.027344 MB of memory in use. ENERGY: 2849400 731.6830 2082.9011 1906.5654 114.9930 -206185.5239 17977.4990 0.0000 0.0000 34221.1448 -149150.7375 298.8618 -183371.8822 -149055.7393 299.1935 91.2945 124.9111 557218.0940 -3.7217 -3.7565 PRESSURE: 2849600 197.096 -76.1128 22.2011 -76.1121 68.7848 0.925909 22.2005 0.923143 -167.812 GPRESSURE: 2849600 188.785 -32.0385 110.341 -39.6125 37.1245 99.0799 -15.7074 30.0299 -31.6955 PRESSAVG: 2849600 86.3406 0.79314 1.60081 0.793173 -16.4473 13.9202 1.60073 13.9201 -45.3502 GPRESSAVG: 2849600 85.5414 2.10984 2.77153 1.37037 -16.672 14.0998 2.3799 13.3278 -43.9138 TIMING: 2849600 CPU: 8499.51, 0.00300611/step Wall: 8499.51, 0.00300611/step, 1.79565 hours remaining, 205.027344 MB of memory in use. ENERGY: 2849600 758.3159 2084.6618 1952.8859 103.7479 -205874.8316 17888.5095 0.0000 0.0000 34310.7493 -148775.9613 299.6443 -183086.7106 -148679.2173 299.9537 32.6894 64.7382 557266.0491 8.1811 8.3185 PRESSURE: 2849800 -134.339 26.4234 -0.918965 26.4232 36.3897 106.392 -0.919746 106.392 19.6321 GPRESSURE: 2849800 -120.131 34.3238 -19.0993 3.51419 105.701 69.0103 -38.8215 101.094 45.4621 PRESSAVG: 2849800 82.7707 80.619 -41.1044 80.619 -11.7843 88.9529 -41.1043 88.9529 -49.0915 GPRESSAVG: 2849800 82.7673 77.6463 -40.0875 82.2491 -10.97 88.4095 -40.4185 88.5936 -49.6095 TIMING: 2849800 CPU: 8500.11, 0.00300079/step Wall: 8500.11, 0.00300079/step, 1.79231 hours remaining, 205.027344 MB of memory in use. ENERGY: 2849800 767.5051 2015.7948 1940.6432 102.6802 -206037.8865 17866.5083 0.0000 0.0000 34425.6630 -148919.0917 300.6479 -183344.7547 -148813.4654 300.0930 -26.1058 10.3440 557359.7819 7.2983 7.3959 PRESSURE: 2850000 62.9692 35.2707 91.625 35.2699 181.826 58.123 91.6242 58.1226 -118.875 GPRESSURE: 2850000 84.1926 1.2521 16.7467 52.6833 164.27 60.6845 140.322 39.0676 -22.9275 PRESSAVG: 2850000 -2.33843 -14.3496 -1.81488 -14.3496 63.5224 39.3201 -1.81483 39.3201 -37.0072 GPRESSAVG: 2850000 -1.73233 -15.3186 -2.90492 -13.5877 64.0986 36.9916 -1.93575 40.5775 -37.5863 TIMING: 2850000 CPU: 8500.71, 0.0030152/step Wall: 8500.71, 0.0030152/step, 1.80075 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: 2850000 735.2283 2081.1807 1956.7676 128.4114 -205906.6190 17907.1749 0.0000 0.0000 34114.1685 -148983.6876 297.9275 -183097.8561 -148886.8062 299.9797 41.9732 75.1785 558074.5460 8.0589 8.2600 PRESSURE: 2850200 25.2251 -104.464 -161.083 -104.465 40.894 85.9662 -161.083 85.9645 -17.7035 GPRESSURE: 2850200 35.5385 -65.8232 6.87587 -122.195 148.787 63.2577 -274.389 51.7124 -37.0059 PRESSAVG: 2850200 -34.5982 15.3121 -10.9904 15.3122 53.8468 -27.8604 -10.9905 -27.8603 4.2781 GPRESSAVG: 2850200 -34.6933 17.5769 -9.80965 15.287 54.036 -26.7825 -9.77559 -28.4031 4.77292 TIMING: 2850200 CPU: 8501.32, 0.00303378/step Wall: 8501.32, 0.00303378/step, 1.81167 hours remaining, 205.027344 MB of memory in use. ENERGY: 2850200 734.4025 2101.4132 1932.3766 104.6760 -205733.4732 17697.6535 0.0000 0.0000 34187.5481 -148975.4034 298.5684 -183162.9514 -148877.1119 300.1007 16.1385 49.1066 557993.1795 7.8422 8.0385 PRESSURE: 2850400 243.228 -94.3492 -45.5826 -94.3489 167.702 -126.833 -45.582 -126.833 181.686 GPRESSURE: 2850400 261.057 -43.6424 -57.2226 -185.825 181.693 -164.69 -41.9381 -143.132 244.351 PRESSAVG: 2850400 -69.4502 40.021 -1.70269 40.021 100.145 -0.835739 -1.70264 -0.835636 -50.6603 GPRESSAVG: 2850400 -68.4702 37.4461 -1.99624 39.8372 99.0392 -1.73032 -3.31635 0.349839 -49.7984 TIMING: 2850400 CPU: 8501.93, 0.00303974/step Wall: 8501.93, 0.00303974/step, 1.81506 hours remaining, 205.027344 MB of memory in use. ENERGY: 2850400 685.8262 2076.2877 1957.7493 126.1417 -206137.1388 17956.0383 0.0000 0.0000 34339.2662 -148995.8294 299.8934 -183335.0956 -148895.1544 299.6210 197.5387 229.0336 557362.2900 -6.6553 -6.4098 PRESSURE: 2850600 254.49 141.804 64.0356 141.804 128.243 -162.743 64.0352 -162.743 43.5563 GPRESSURE: 2850600 250.432 130.645 23.6324 146.074 201.764 -110.105 76.7831 -222.488 63.3736 PRESSAVG: 2850600 -42.3645 2.97711 -2.34021 2.97711 46.9219 -13.9821 -2.34016 -13.9821 -31.2314 GPRESSAVG: 2850600 -41.7674 5.00118 -1.47992 3.31234 47.7387 -11.7361 -3.90586 -16.0601 -32.8211 TIMING: 2850600 CPU: 8502.53, 0.00302311/step Wall: 8502.53, 0.00302311/step, 1.80496 hours remaining, 205.027344 MB of memory in use. ENERGY: 2850600 727.1316 2056.7426 1935.2515 121.5962 -206107.4130 17951.1442 0.0000 0.0000 34392.6471 -148922.8999 300.3595 -183315.5470 -148825.9949 300.2588 142.0962 171.8564 557744.9537 -8.8913 -8.9499 PRESSURE: 2850800 -179.965 -35.2219 64.8332 -35.2229 -51.9334 -9.99277 64.8354 -9.99374 139.11 GPRESSURE: 2850800 -122.046 -38.8924 85.5315 9.72693 -34.9355 -16.2505 15.7813 -25.5201 158.158 PRESSAVG: 2850800 8.09091 22.7228 34.3974 22.723 16.1315 -39.9791 34.3975 -39.9792 -42.4489 GPRESSAVG: 2850800 7.65562 21.7239 32.7161 22.4682 16.2772 -41.0723 36.5506 -39.8318 -41.8298 TIMING: 2850800 CPU: 8503.14, 0.00302147/step Wall: 8503.14, 0.00302147/step, 1.80382 hours remaining, 205.027344 MB of memory in use. ENERGY: 2850800 766.3699 2059.4966 1927.7952 112.2615 -205697.3808 17634.6262 0.0000 0.0000 34410.8610 -148785.9703 300.5186 -183196.8313 -148698.0629 300.4076 -30.9295 0.3920 557718.0997 -6.0755 -5.9657 PRESSURE: 2851000 -177.655 -60.2003 -155.407 -60.1995 -267.392 76.6112 -155.408 76.6116 -194.319 GPRESSURE: 2851000 -155.951 -45.7445 -235.172 -113.884 -221.095 91.3921 -117.171 87.0347 -175.949 PRESSAVG: 2851000 -55.9426 59.9944 -52.035 59.9944 22.0746 20.7725 -52.035 20.7724 14.0017 GPRESSAVG: 2851000 -56.7543 58.8618 -51.5109 60.1418 20.9908 20.6654 -52.7973 22.3957 15.144 TIMING: 2851000 CPU: 8503.74, 0.00304367/step Wall: 8503.74, 0.00304367/step, 1.8169 hours remaining, 205.027344 MB of memory in use. ENERGY: 2851000 737.1763 2060.4528 1913.8947 111.7175 -205339.4139 17277.0040 0.0000 0.0000 34281.0521 -148958.1166 299.3850 -183239.1687 -148853.1551 300.5970 -213.1222 -184.3316 557673.6562 -6.6221 -6.8732 PRESSURE: 2851200 -460.439 26.1598 -69.2971 26.1601 -233.76 -12.0947 -69.2963 -12.0953 -31.9341 GPRESSURE: 2851200 -434.684 49.835 -72.5185 -12.5266 -203.734 -78.0677 -129.767 39.5833 -10.957 PRESSAVG: 2851200 13.9185 -47.2959 -32.7316 -47.2959 2.58394 -38.7878 -32.7316 -38.7879 -35.6857 GPRESSAVG: 2851200 14.7449 -45.1307 -33.6727 -47.969 3.77118 -40.0803 -32.3974 -38.9106 -37.0524 TIMING: 2851200 CPU: 8504.35, 0.00304148/step Wall: 8504.35, 0.00304148/step, 1.81542 hours remaining, 205.027344 MB of memory in use. ENERGY: 2851200 756.2970 2084.3416 1965.2826 114.4026 -205877.3880 17579.9557 0.0000 0.0000 34324.1451 -149052.9634 299.7613 -183377.1085 -148955.2406 300.4786 -242.0443 -216.4585 559004.4131 -6.3944 -6.1788 PRESSURE: 2851400 -133.899 -142.76 51.743 -142.761 88.7969 83.5218 51.7424 83.5206 56.5292 GPRESSURE: 2851400 -86.1391 -181.877 65.8458 -42.207 146.412 16.8844 98.7801 100.886 60.7151 PRESSAVG: 2851400 -47.6883 55.1415 4.50654 55.1414 16.1216 -6.60682 4.50649 -6.6067 34.5793 GPRESSAVG: 2851400 -47.3497 52.6355 4.64821 55.4157 14.8783 -3.52926 3.88131 -6.94579 35.4964 TIMING: 2851400 CPU: 8504.96, 0.00302542/step Wall: 8504.96, 0.00302542/step, 1.80567 hours remaining, 205.027344 MB of memory in use. ENERGY: 2851400 730.0819 2028.7826 1947.0007 134.7227 -206243.8959 17941.7445 0.0000 0.0000 34291.7110 -149169.8525 299.4780 -183461.5635 -149069.9177 299.8260 3.8090 40.3294 558485.5941 1.0042 1.0084 PRESSURE: 2851600 126.81 54.7327 89.4548 54.7345 -37.305 76.325 89.455 76.325 -247.956 GPRESSURE: 2851600 170.052 17.2506 93.2193 99.1071 -79.153 -30.9201 173.178 73.8179 -153.984 PRESSAVG: 2851600 -38.3807 -36.3525 13.9052 -36.3525 32.49 17.8847 13.9051 17.8848 30.6636 GPRESSAVG: 2851600 -38.3013 -34.0953 14.5734 -36.9074 33.1329 16.1751 12.35 19.0169 30.4851 TIMING: 2851600 CPU: 8505.56, 0.00301433/step Wall: 8505.56, 0.00301433/step, 1.79889 hours remaining, 205.027344 MB of memory in use. ENERGY: 2851600 788.0317 2089.2922 1940.8257 118.1557 -206166.0173 17812.4586 0.0000 0.0000 34329.4504 -149087.8031 299.8076 -183417.2535 -148992.6356 299.4148 -52.8170 -21.0283 558814.1981 8.2576 8.4389 PRESSURE: 2851800 -331.449 -85.2722 -162.868 -85.2725 -134.068 116.024 -162.868 116.024 -150.178 GPRESSURE: 2851800 -267.886 -92.306 -118.973 -169.09 -121.612 106.919 -186.66 178.735 -130.494 PRESSAVG: 2851800 30.2781 -45.5436 12.4433 -45.5437 10.0326 25.8649 12.4434 25.865 -38.2386 GPRESSAVG: 2851800 30.8105 -45.7535 13.1926 -46.8756 10.1867 24.6749 12.1864 26.5681 -38.9562 TIMING: 2851800 CPU: 8506.16, 0.00299243/step Wall: 8506.16, 0.00299243/step, 1.78565 hours remaining, 205.027344 MB of memory in use. ENERGY: 2851800 733.7125 2059.9678 1951.7787 114.5621 -205626.7915 17551.9297 0.0000 0.0000 34137.8839 -149076.9569 298.1346 -183214.8408 -148974.8388 299.3208 -205.2316 -173.3305 558477.1112 0.6907 0.6803 PRESSURE: 2852000 82.1374 -62.541 16.718 -62.5421 353.908 61.7613 16.7173 61.7614 -121.014 GPRESSURE: 2852000 99.3169 -24.0861 4.38085 -87.3085 376.187 -0.0339017 120.712 114.339 -71.1608 PRESSAVG: 2852000 11.1477 18.9261 7.53829 18.9262 -45.6688 50.1621 7.53832 50.1621 12.5445 GPRESSAVG: 2852000 9.81192 18.8452 7.81148 19.6412 -45.2072 51.1177 10.365 49.9071 13.5965 TIMING: 2852000 CPU: 8506.76, 0.00302284/step Wall: 8506.76, 0.00302284/step, 1.80363 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: 2852000 730.2075 2099.1638 1942.6636 110.5858 -206241.0369 17937.1335 0.0000 0.0000 34269.8187 -149151.4639 299.2869 -183421.2826 -149051.0031 299.0035 105.0103 134.7809 558311.7095 -7.3255 -7.2663 PRESSURE: 2852200 -51.8327 141.342 -191.541 141.343 91.483 49.0452 -191.541 49.0453 16.8486 GPRESSURE: 2852200 -32.2728 176.688 -133.054 149.197 117.059 26.3444 -244.593 35.9203 72.9774 PRESSAVG: 2852200 13.4863 14.068 -1.25776 14.0679 11.1149 16.6628 -1.25773 16.6627 -24.7407 GPRESSAVG: 2852200 13.2118 11.957 0.11977 16.1006 11.842 16.5848 -3.25958 15.365 -25.4334 TIMING: 2852200 CPU: 8507.37, 0.00300878/step Wall: 8507.37, 0.00300878/step, 1.79507 hours remaining, 205.027344 MB of memory in use. ENERGY: 2852200 732.5476 2026.0356 1943.5371 108.1803 -205810.9183 17694.3460 0.0000 0.0000 34123.9378 -149182.3339 298.0128 -183306.2717 -149083.8150 299.2867 18.8330 52.5879 557633.0617 -0.0465 -0.1265 LDB: ============= START OF LOAD BALANCING ============== 8510.8 LDB: ============== END OF LOAD BALANCING =============== 8510.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8510.8 LDB: ============= START OF LOAD BALANCING ============== 8511.1 LDB: Largest compute 4821 load 0.027474 is 23.3% of average load 0.118008 LDB: Average compute 0.001747 is 1.5% of average load 0.118008 LDB: TIME 8511.1 LOAD: AVG 0.118008 MAX 0.208268 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.82 MB LDB: TIME 8511.1 LOAD: AVG 0.118008 MAX 0.208268 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.891 MB LDB: TIME 8511.1 LOAD: AVG 0.118008 MAX 0.208268 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.891 MB LDB: ============== END OF LOAD BALANCING =============== 8511.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8511.11 PRESSURE: 2852400 -116.912 48.6927 151.398 48.6927 -78.4717 -100.983 151.398 -100.982 -310.187 GPRESSURE: 2852400 -115.452 -11.489 227.631 63.4521 -16.2403 -71.872 90.3813 -72.7531 -264.946 PRESSAVG: 2852400 33.0464 -15.7926 -48.234 -15.7926 41.6625 10.4713 -48.234 10.4713 -95.8333 GPRESSAVG: 2852400 33.4491 -15.1021 -51.1531 -17.1277 41.71 9.42437 -47.3523 11.1194 -96.052 TIMING: 2852400 CPU: 8507.98, 0.0030674/step Wall: 8507.98, 0.0030674/step, 1.82987 hours remaining, 206.367188 MB of memory in use. ENERGY: 2852400 762.8744 2077.2749 1948.4891 119.3081 -205904.3758 17569.3646 0.0000 0.0000 34206.7482 -149220.3165 298.7360 -183427.0647 -149115.9175 299.3539 -168.5237 -132.2130 557051.7040 -7.0415 -6.9643 PRESSURE: 2852600 -215.616 42.0528 253.99 42.0536 -16.8406 19.2859 253.989 19.2852 -199.748 GPRESSURE: 2852600 -213.841 0.468406 310.499 19.9465 -12.1005 38.7915 229.356 -45.0593 -111.583 PRESSAVG: 2852600 -19.3289 -52.8543 -0.291784 -52.8543 39.3235 36.5837 -0.291779 36.5836 -15.2201 GPRESSAVG: 2852600 -19.5771 -51.7619 1.09277 -53.3846 38.2779 36.9763 0.846764 36.6243 -13.3843 TIMING: 2852600 CPU: 8508.59, 0.0030338/step Wall: 8508.59, 0.0030338/step, 1.80966 hours remaining, 206.566406 MB of memory in use. ENERGY: 2852600 754.4005 2085.2934 1933.6909 105.0240 -206096.8032 17453.3913 0.0000 0.0000 34539.3701 -149225.6331 301.6409 -183765.0032 -149130.2394 299.8427 -144.0681 -112.5084 555731.8466 1.5915 1.7722 PRESSURE: 2852800 206.504 -56.5493 24.4489 -56.5495 193.276 -10.0055 24.4493 -10.0058 40.9797 GPRESSURE: 2852800 290.283 -41.0089 -55.8356 -56.3316 203.937 109.948 89.5782 -63.4093 35.9774 PRESSAVG: 2852800 2.89353 -27.9436 46.9169 -27.9436 64.212 9.66119 46.917 9.66132 -47.7059 GPRESSAVG: 2852800 3.07633 -28.495 43.8362 -27.9815 64.7882 9.44986 48.3164 9.63899 -48.6168 TIMING: 2852800 CPU: 8509.19, 0.00303568/step Wall: 8509.19, 0.00303568/step, 1.81061 hours remaining, 206.566406 MB of memory in use. ENERGY: 2852800 713.7168 2055.6926 1945.1133 108.3101 -206353.2558 18217.3856 0.0000 0.0000 34289.7782 -149023.2592 299.4612 -183313.0374 -148930.3070 299.4689 146.9200 176.7324 557289.0774 6.4665 6.4159 PRESSURE: 2853000 -279.551 -138.062 2.22555 -138.062 -85.8268 26.994 2.22381 26.9938 -403.895 GPRESSURE: 2853000 -191.221 -159.783 61.0829 -145.612 -104.45 92.4565 -79.0208 17.0182 -381.711 PRESSAVG: 2853000 -30.0385 -37.2699 18.2559 -37.27 51.0165 35.5858 18.2559 35.5859 43.5466 GPRESSAVG: 2853000 -29.7357 -35.381 19.505 -39.337 50.7913 37.1403 17.8271 34.7505 43.7098 TIMING: 2853000 CPU: 8509.8, 0.00302517/step Wall: 8509.8, 0.00302517/step, 1.80418 hours remaining, 206.566406 MB of memory in use. ENERGY: 2853000 745.7831 2059.8669 1943.3163 101.3356 -205581.8654 17449.2481 0.0000 0.0000 34162.7072 -149119.6083 298.3514 -183282.3154 -149030.3792 299.4702 -256.4242 -225.7936 560045.5142 21.5082 21.5885 PRESSURE: 2853200 -68.3877 -53.1584 178.971 -53.1583 -107.965 -121.603 178.97 -121.603 -90.7653 GPRESSURE: 2853200 -105.728 30.0487 132.032 -107.036 -41.815 -131.625 172.708 -86.1066 -29.7036 PRESSAVG: 2853200 -96.8661 -68.7095 10.6178 -68.7094 62.62 2.14897 10.6179 2.14882 -16.1137 GPRESSAVG: 2853200 -97.0547 -71.3475 10.6984 -67.8119 62.102 1.33878 10.7285 2.39397 -15.6937 TIMING: 2853200 CPU: 8510.41, 0.00304421/step Wall: 8510.41, 0.00304421/step, 1.81536 hours remaining, 206.566406 MB of memory in use. ENERGY: 2853200 764.7474 2088.2036 1948.1989 103.1346 -206242.9164 17794.3749 0.0000 0.0000 34241.1913 -149303.0657 299.0368 -183544.2570 -149204.3229 298.8970 -89.0393 -59.0823 557168.6275 -16.7866 -16.8821 PRESSURE: 2853400 -92.1598 164.431 9.88938 164.43 105.028 37.4197 9.88924 37.4216 278.651 GPRESSURE: 2853400 -53.8672 127.103 7.71473 190.096 116.221 28.7072 47.885 54.5635 309.968 PRESSAVG: 2853400 4.15549 -34.9532 15.3522 -34.9532 36.2235 -0.786506 15.3523 -0.786508 0.985556 GPRESSAVG: 2853400 5.65154 -33.3849 16.2333 -33.6415 36.381 -0.818429 13.9831 0.403502 -0.447331 TIMING: 2853400 CPU: 8511.01, 0.00303759/step Wall: 8511.01, 0.00303759/step, 1.81125 hours remaining, 206.566406 MB of memory in use. ENERGY: 2853400 741.3626 2110.4749 1931.0804 118.5437 -206172.2138 17903.2494 0.0000 0.0000 34182.4708 -149185.0319 298.5240 -183367.5028 -149093.6732 299.1635 97.1730 124.1075 557238.5667 13.7882 13.8617 PRESSURE: 2853600 -50.5395 28.1889 126.718 28.1888 225.909 -117.859 126.718 -117.859 58.5268 GPRESSURE: 2853600 30.8177 19.5525 135.334 42.9702 208.055 -114.24 107.753 -50.2646 80.665 PRESSAVG: 2853600 -15.2982 27.4204 75.3153 27.4204 43.8036 31.0526 75.3153 31.0524 2.80351 GPRESSAVG: 2853600 -16.7047 29.2677 74.9212 27.5601 43.491 31.5758 73.2715 29.7719 4.13406 TIMING: 2853600 CPU: 8511.62, 0.00302707/step Wall: 8511.62, 0.00302707/step, 1.80481 hours remaining, 206.566406 MB of memory in use. ENERGY: 2853600 684.9311 2081.7342 1934.9396 114.7668 -206307.5911 17941.2968 0.0000 0.0000 34256.0937 -149293.8290 299.1670 -183549.9227 -149190.6979 299.6248 77.9654 106.5126 557423.2294 10.4363 10.3068 PRESSURE: 2853800 -211.958 -94.8644 156.621 -94.8641 30.6227 109.744 156.621 109.742 177.861 GPRESSURE: 2853800 -185.948 -59.9202 152.191 -118.178 29.7224 68.1918 188.291 189.158 260.171 PRESSAVG: 2853800 31.4385 31.0613 55.6675 31.0613 18.2075 2.6415 55.6675 2.64149 -57.9096 GPRESSAVG: 2853800 30.0351 29.2513 54.1216 31.4544 19.9157 1.06295 56.2516 4.49554 -58.6448 TIMING: 2853800 CPU: 8512.23, 0.00303287/step Wall: 8512.23, 0.00303287/step, 1.8081 hours remaining, 206.566406 MB of memory in use. ENERGY: 2853800 696.3673 2078.8039 1919.6595 119.5140 -206115.3892 17747.5337 0.0000 0.0000 34307.1438 -149246.3671 299.6128 -183553.5108 -149150.1725 298.9952 -1.1581 34.6483 557625.8387 -2.7545 -2.8980 PRESSURE: 2854000 183.577 36.3366 31.2885 36.3367 59.1486 -87.7535 31.2873 -87.753 -62.9012 GPRESSURE: 2854000 236.231 0.362338 -40.128 123.007 88.7396 -122.538 94.6499 -90.7468 -43.0686 PRESSAVG: 2854000 6.99431 36.4709 46.1895 36.4708 -27.3249 22.9558 46.1895 22.9558 25.2948 GPRESSAVG: 2854000 7.05484 36.9744 45.0331 33.9115 -28.2489 25.4837 48.1831 22.4831 25.9397 TIMING: 2854000 CPU: 8512.83, 0.00301217/step Wall: 8512.83, 0.00301217/step, 1.79559 hours remaining, 206.566406 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: 2854000 739.9876 2065.5040 1929.0882 113.1241 -206105.8980 17881.8480 0.0000 0.0000 34226.4008 -149149.9453 298.9077 -183376.3461 -149047.6765 299.4099 59.9414 93.9673 558261.8264 1.6547 1.5819 PRESSURE: 2854200 82.5194 110.942 152.711 110.941 -227.314 -72.9601 152.712 -72.9612 -45.1527 GPRESSURE: 2854200 132.244 45.1363 151.233 132.411 -188.206 -49.5649 151.816 19.5778 -42.9964 PRESSAVG: 2854200 57.6952 45.7472 45.018 45.7472 13.757 -24.6833 45.018 -24.6834 -67.6194 GPRESSAVG: 2854200 57.6669 44.3555 47.5716 49.0769 13.7614 -28.0111 44.5492 -24.3852 -67.3004 TIMING: 2854200 CPU: 8513.43, 0.00302303/step Wall: 8513.43, 0.00302303/step, 1.8019 hours remaining, 206.566406 MB of memory in use. ENERGY: 2854200 749.7314 2046.7032 1942.6208 115.1240 -206238.1903 17915.1963 0.0000 0.0000 34304.6051 -149164.2096 299.5906 -183468.8146 -149065.1194 299.2450 -63.3156 -32.9860 558333.7746 1.2776 1.3760 PRESSURE: 2854400 54.0958 -111.514 103.38 -111.515 25.2157 130.049 103.379 130.049 54.5377 GPRESSURE: 2854400 73.4891 -114.079 134.657 -32.9983 60.9373 157.334 125.664 138.128 97.237 PRESSAVG: 2854400 39.6463 -12.001 23.1524 -12.001 38.3737 46.0585 23.1525 46.0584 -70.9443 GPRESSAVG: 2854400 41.4719 -12.4956 24.1939 -13.5066 37.5452 47.3157 21.7926 45.7734 -71.2103 TIMING: 2854400 CPU: 8514.03, 0.00300542/step Wall: 8514.03, 0.00300542/step, 1.79123 hours remaining, 206.566406 MB of memory in use. ENERGY: 2854400 759.8647 2054.4331 1942.2294 108.8656 -206491.4675 18000.4171 0.0000 0.0000 34280.3191 -149345.3384 299.3786 -183625.6575 -149245.3616 299.4865 44.6164 77.2211 557101.0963 2.3586 2.6023 PRESSURE: 2854600 145.168 -47.3258 -125.914 -47.3256 -171.724 33.7649 -125.912 33.7657 -25.8944 GPRESSURE: 2854600 138.002 38.5209 -84.2466 -107.34 -95.5844 153.854 -114.408 -59.3676 1.18182 PRESSAVG: 2854600 70.4887 -12.4482 25.8813 -12.4481 -6.52472 -7.63437 25.8813 -7.63433 -46.8111 GPRESSAVG: 2854600 69.092 -10.4679 25.2823 -12.6126 -5.10244 -7.03812 26.9978 -8.35038 -46.7057 TIMING: 2854600 CPU: 8514.64, 0.00302253/step Wall: 8514.64, 0.00302253/step, 1.80126 hours remaining, 206.566406 MB of memory in use. ENERGY: 2854600 763.6468 2061.4570 1967.0256 105.8174 -206713.9428 18024.4647 0.0000 0.0000 34450.8709 -149340.6604 300.8680 -183791.5313 -149253.5747 298.3133 -17.4835 14.5333 558997.5732 5.7176 5.7613 PRESSURE: 2854800 -198.419 123.619 -42.6308 123.618 61.4744 -54.809 -42.6307 -54.8078 47.2362 GPRESSURE: 2854800 -171.868 26.7643 -0.978403 282.427 124.768 -44.9208 -101.799 -17.163 49.5092 PRESSAVG: 2854800 25.8746 -31.7538 8.25946 -31.7539 8.90179 -28.6371 8.25938 -28.637 -25.4406 GPRESSAVG: 2854800 25.2849 -33.048 8.41789 -30.3233 8.75915 -30.252 6.6578 -28.8856 -24.785 TIMING: 2854800 CPU: 8515.24, 0.00301616/step Wall: 8515.24, 0.00301616/step, 1.79729 hours remaining, 206.566406 MB of memory in use. ENERGY: 2854800 731.3460 2061.3231 1925.4929 113.7907 -206255.7469 17899.8140 0.0000 0.0000 34213.1548 -149310.8253 298.7920 -183523.9801 -149218.2875 298.6915 -29.9028 0.8031 559720.2494 3.1119 3.0864 PRESSURE: 2855000 82.6002 -129.959 45.5862 -129.958 -216.5 5.92385 45.5856 5.92403 -364.092 GPRESSURE: 2855000 63.82 -111.535 47.2609 -136.23 -216.296 37.8106 32.0772 -29.2857 -255.903 PRESSAVG: 2855000 13.5853 -10.621 -14.7288 -10.621 20.7343 -45.2527 -14.7288 -45.2526 -58.5839 GPRESSAVG: 2855000 13.3668 -9.6878 -15.1816 -11.4038 20.637 -40.5563 -14.2426 -47.1595 -58.3771 TIMING: 2855000 CPU: 8515.85, 0.00302726/step Wall: 8515.85, 0.00302726/step, 1.80374 hours remaining, 206.566406 MB of memory in use. ENERGY: 2855000 733.1080 2065.1385 1948.0312 113.1571 -205972.9281 17659.2574 0.0000 0.0000 34146.1136 -149308.1224 298.2065 -183454.2359 -149206.6584 298.5457 -165.9972 -136.1265 558973.1788 -8.0881 -8.1244 PRESSURE: 2855200 -4.73532 38.0572 -39.406 38.0578 -138.404 167.104 -39.4054 167.104 -238.238 GPRESSURE: 2855200 0.676898 -28.505 -92.9526 28.424 -110.944 141.1 4.36333 204.309 -179.698 PRESSAVG: 2855200 5.47664 -12.0028 23.9972 -12.0027 -4.70187 -21.3881 23.9971 -21.388 15.0494 GPRESSAVG: 2855200 6.69511 -12.345 24.0976 -10.1262 -4.85013 -25.3065 23.9238 -17.7354 13.7418 TIMING: 2855200 CPU: 8516.45, 0.00301099/step Wall: 8516.45, 0.00301099/step, 1.79388 hours remaining, 206.566406 MB of memory in use. ENERGY: 2855200 791.9399 2002.9018 1961.0100 103.8982 -206361.5490 17809.0081 0.0000 0.0000 34351.5812 -149341.2099 300.0009 -183692.7910 -149249.6372 298.4188 -127.1259 -96.6552 557815.1741 5.2747 5.1956 PRESSURE: 2855400 69.5139 -97.9874 -111.308 -97.9879 91.3309 -102.047 -111.307 -102.047 -15.0792 GPRESSURE: 2855400 108.258 -142.056 -33.9537 -165.736 147.567 -130.298 -51.3865 -36.2216 -6.10131 PRESSAVG: 2855400 3.71854 -68.0827 11.1563 -68.0828 -9.07606 -7.74795 11.1563 -7.7479 31.7874 GPRESSAVG: 2855400 2.32035 -69.0793 9.84136 -69.8064 -9.05356 -7.70282 12.3749 -9.10346 33.2517 TIMING: 2855400 CPU: 8517.05, 0.00301068/step Wall: 8517.05, 0.00301068/step, 1.79353 hours remaining, 206.566406 MB of memory in use. ENERGY: 2855400 727.2408 2108.1594 1954.3825 120.1913 -206212.1077 17732.4832 0.0000 0.0000 34167.3699 -149402.2806 298.3921 -183569.6505 -149307.4560 299.3164 48.5885 83.2414 556470.2348 8.8100 8.8395 PRESSURE: 2855600 -6.56729 -93.8707 -38.3281 -93.8707 -140.164 -151.441 -38.3282 -151.442 155.75 GPRESSURE: 2855600 -53.5055 -96.3292 -52.0021 -100.383 -27.7239 -105.566 -0.124143 -265.19 187.379 PRESSAVG: 2855600 -7.05409 -13.9524 -16.4663 -13.9524 20.7283 -9.68901 -16.4662 -9.689 -5.43902 GPRESSAVG: 2855600 -7.13582 -13.3812 -14.1143 -14.3581 21.9571 -9.017 -16.7415 -10.1926 -5.95789 TIMING: 2855600 CPU: 8517.66, 0.00302911/step Wall: 8517.66, 0.00302911/step, 1.80434 hours remaining, 206.566406 MB of memory in use. ENERGY: 2855600 695.1710 2158.0543 1942.1386 106.4365 -206438.9734 17668.0960 0.0000 0.0000 34292.9806 -149576.0963 299.4891 -183869.0770 -149478.1767 298.6238 3.0062 35.3832 556549.4114 2.7451 2.9545 PRESSURE: 2855800 -257.061 200.665 58.9284 200.665 -349.118 190.78 58.9282 190.779 -220.225 GPRESSURE: 2855800 -269.777 182.796 -36.911 218.626 -280.142 212.494 57.0845 116.124 -185.287 PRESSAVG: 2855800 -13.1092 0.0288626 7.52555 0.0288933 12.2102 1.42459 7.52559 1.42465 37.2948 GPRESSAVG: 2855800 -11.9333 0.952191 7.94607 0.8463 10.4318 1.77281 7.85424 -0.608401 37.4629 TIMING: 2855800 CPU: 8518.27, 0.00304989/step Wall: 8518.27, 0.00304989/step, 1.81655 hours remaining, 206.566406 MB of memory in use. ENERGY: 2855800 743.4305 2011.0690 1952.4929 118.0013 -205862.0322 17470.8386 0.0000 0.0000 34049.5151 -149516.6848 297.3629 -183566.1999 -149424.5707 298.8677 -275.4682 -245.0686 557365.7108 12.1319 11.9871 PRESSURE: 2856000 -8.69613 127.62 -183.444 127.621 -146.495 -77.2029 -183.445 -77.2027 -111.606 GPRESSURE: 2856000 49.6249 76.5278 -158.888 155.365 -93.3628 -108.51 -181.105 3.28776 -122.966 PRESSAVG: 2856000 -4.99618 10.7147 -87.2329 10.7147 -24.8738 -0.161674 -87.2329 -0.16152 76.295 GPRESSAVG: 2856000 -5.03191 8.28925 -87.5566 11.3708 -23.9518 -2.03109 -89.2577 2.01979 75.5944 TIMING: 2856000 CPU: 8518.88, 0.00304058/step Wall: 8518.88, 0.00304058/step, 1.81084 hours remaining, 206.566406 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: 2856000 724.0536 2084.8368 1939.6779 113.0967 -206107.3423 17657.6471 0.0000 0.0000 34267.0383 -149320.9920 299.2626 -183588.0303 -149225.0669 298.7125 -88.9322 -55.5679 555905.4801 15.4750 15.5369 PRESSURE: 2856200 -146.07 -113.464 -12.7024 -113.465 -132.54 118.257 -12.7022 118.258 56.0415 GPRESSURE: 2856200 -97.9885 -132.562 -33.2822 -86.9624 -98.1458 111.961 35.2536 120.523 58.4387 PRESSAVG: 2856200 -22.2877 -29.9242 -8.01793 -29.9242 -16.8015 20.2657 -8.01791 20.2659 -11.0633 GPRESSAVG: 2856200 -21.3342 -28.3435 -10.8357 -29.8002 -17.9877 21.4332 -6.08977 21.2086 -11.0226 TIMING: 2856200 CPU: 8519.48, 0.0030276/step Wall: 8519.48, 0.0030276/step, 1.80293 hours remaining, 206.566406 MB of memory in use. ENERGY: 2856200 761.5505 2074.1084 1973.1377 116.4082 -205851.9058 17644.7275 0.0000 0.0000 34253.9389 -149028.0346 299.1482 -183281.9735 -148936.5775 299.3369 -74.1893 -45.8985 557306.0411 -16.7175 -16.7815 LDB: ============= START OF LOAD BALANCING ============== 8522.91 LDB: ============== END OF LOAD BALANCING =============== 8522.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8522.91 LDB: ============= START OF LOAD BALANCING ============== 8523.22 LDB: Largest compute 4821 load 0.027844 is 23.6% of average load 0.117983 LDB: Average compute 0.001742 is 1.5% of average load 0.117983 LDB: TIME 8523.22 LOAD: AVG 0.117983 MAX 0.210422 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.801 MB LDB: TIME 8523.22 LOAD: AVG 0.117983 MAX 0.210422 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.801 MB LDB: TIME 8523.22 LOAD: AVG 0.117983 MAX 0.210422 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.801 MB LDB: ============== END OF LOAD BALANCING =============== 8523.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8523.23 PRESSURE: 2856400 43.8758 19.7015 -45.5701 19.7016 166.363 17.4539 -45.5709 17.455 193.498 GPRESSURE: 2856400 58.2824 117.84 16.3379 -68.1409 202.469 28.3544 -124.101 -93.3672 226.26 PRESSAVG: 2856400 -26.71 -32.8186 6.40806 -32.8185 -48.8157 -43.2121 6.40789 -43.2121 66.894 GPRESSAVG: 2856400 -28.6487 -32.6078 8.49249 -34.6893 -48.3378 -43.9753 5.42682 -46.1455 68.3989 TIMING: 2856400 CPU: 8520.1, 0.00308608/step Wall: 8520.1, 0.00308608/step, 1.83759 hours remaining, 204.511719 MB of memory in use. ENERGY: 2856400 738.7601 2049.3981 1994.7868 112.7435 -206126.9949 18003.7604 0.0000 0.0000 34075.0354 -149152.5107 297.5858 -183227.5461 -149054.2953 299.6973 134.5788 162.3372 557235.4324 -2.8772 -2.8625 PRESSURE: 2856600 -359.964 -78.162 76.7105 -78.1616 -38.8074 -111.148 76.7122 -111.149 -376.573 GPRESSURE: 2856600 -290.186 -57.7044 134.506 -82.4767 -25.1175 -152.151 -27.0758 -46.1623 -356.287 PRESSAVG: 2856600 -1.98371 14.1336 -1.82193 14.1336 48.9156 -23.5471 -1.8219 -23.547 13.8507 GPRESSAVG: 2856600 -1.22024 14.7986 -0.975422 16.4337 48.3851 -23.2766 -2.23963 -21.489 13.2215 TIMING: 2856600 CPU: 8520.7, 0.00302556/step Wall: 8520.7, 0.00302556/step, 1.80138 hours remaining, 204.511719 MB of memory in use. ENERGY: 2856600 758.7542 2058.0022 1966.7381 108.5614 -205660.4596 17413.3721 0.0000 0.0000 34249.4498 -149105.5817 299.1090 -183355.0315 -148998.2235 299.1784 -258.4484 -223.8636 558613.4843 20.2609 20.1288 PRESSURE: 2856800 220.304 75.0566 15.6859 75.0548 -155.575 73.1803 15.6862 73.1811 7.84648 GPRESSURE: 2856800 260.015 48.8154 -25.5901 101.1 -85.5718 50.6438 35.2333 86.1771 1.2838 PRESSAVG: 2856800 59.5424 -16.4294 37.9298 -16.4293 -14.3248 -11.1029 37.9298 -11.1029 -13.5438 GPRESSAVG: 2856800 59.1351 -15.6992 36.6664 -16.7603 -13.618 -8.76629 39.4715 -11.0431 -13.8628 TIMING: 2856800 CPU: 8521.3, 0.00299451/step Wall: 8521.3, 0.00299451/step, 1.78273 hours remaining, 204.511719 MB of memory in use. ENERGY: 2856800 731.7542 2075.0948 1943.3140 116.0745 -205900.7118 17659.6986 0.0000 0.0000 34248.3463 -149126.4294 299.0993 -183374.7758 -149037.2190 299.4494 24.1919 58.5756 557453.5042 10.5579 10.5514 PRESSURE: 2857000 -198.942 -23.3472 43.3424 -23.3463 -12.4477 44.4196 43.343 44.4204 44.5127 GPRESSURE: 2857000 -191.01 -57.8277 12.0273 -15.4659 43 24.8814 -13.7523 58.8893 85.205 PRESSAVG: 2857000 -28.0664 -26.3518 4.52632 -26.3518 -18.1105 -35.456 4.52636 -35.456 58.033 GPRESSAVG: 2857000 -27.5238 -27.2827 4.09237 -27.4528 -18.7004 -37.6458 2.96617 -36.7484 57.9393 TIMING: 2857000 CPU: 8521.9, 0.00298357/step Wall: 8521.9, 0.00298357/step, 1.77605 hours remaining, 204.511719 MB of memory in use. ENERGY: 2857000 714.2496 2093.3077 1954.3060 112.2418 -205969.2236 17647.5421 0.0000 0.0000 34422.3364 -149025.2401 300.6188 -183447.5765 -148926.6098 299.3428 -55.6257 -20.9349 558036.0723 3.9520 3.9050 PRESSURE: 2857200 270.717 61.6711 94.0725 61.6716 47.673 45.1069 94.0715 45.1072 69.0581 GPRESSURE: 2857200 319.435 26.3435 117.756 66.7706 75.4159 53.5636 47.3023 -71.0004 85.4811 PRESSAVG: 2857200 24.7022 21.2218 77.684 21.2218 -22.1904 2.3648 77.6841 2.36486 -1.39922 GPRESSAVG: 2857200 23.8192 20.3717 76.8893 20.6134 -21.1251 2.32474 79.8496 2.88216 -1.18456 TIMING: 2857200 CPU: 8522.5, 0.0029825/step Wall: 8522.5, 0.0029825/step, 1.77525 hours remaining, 204.511719 MB of memory in use. ENERGY: 2857200 703.7544 2096.2546 1973.9105 105.2099 -206152.8169 17980.4592 0.0000 0.0000 34031.5806 -149261.6477 297.2063 -183293.2283 -149161.9790 299.2373 129.1495 160.1108 558744.5874 0.3709 0.5032 PRESSURE: 2857400 234.432 -16.3003 176.87 -16.3009 -107.818 72.4399 176.87 72.4419 156.887 GPRESSURE: 2857400 290.027 -24.8127 156.628 -26.9499 -94.3035 115.786 157.012 35.2685 156.19 PRESSAVG: 2857400 19.8005 -25.6294 40.4251 -25.6293 2.51282 -16.0509 40.4251 -16.051 -26.3685 GPRESSAVG: 2857400 20.4854 -23.8582 40.8767 -27.3834 1.75937 -18.2225 39.7817 -14.6743 -26.5838 TIMING: 2857400 CPU: 8523.09, 0.0029891/step Wall: 8523.09, 0.0029891/step, 1.77901 hours remaining, 204.511719 MB of memory in use. ENERGY: 2857400 737.0572 2089.0482 1944.7025 122.3610 -206078.3058 17811.4819 0.0000 0.0000 34048.0628 -149325.5922 297.3502 -183373.6550 -149236.9696 298.8496 94.5004 117.3045 558214.3493 -1.3517 -1.4463 PRESSURE: 2857600 -26.0907 -18.3105 45.1912 -18.311 10.1655 -3.67218 45.1918 -3.67107 184.737 GPRESSURE: 2857600 18.3586 9.97975 99.9481 75.1944 72.9985 -59.1075 12.5391 56.1243 177.335 PRESSAVG: 2857600 103.159 -37.8706 -11.723 -37.8706 -51.6672 21.6984 -11.723 21.6985 -44.3023 GPRESSAVG: 2857600 103.328 -38.1719 -12.0388 -36.5075 -51.697 23.4514 -11.0047 20.6544 -44.6007 TIMING: 2857600 CPU: 8523.69, 0.00299837/step Wall: 8523.69, 0.00299837/step, 1.78436 hours remaining, 204.511719 MB of memory in use. ENERGY: 2857600 725.6403 2104.8163 1988.7325 136.6184 -206078.8339 17871.0380 0.0000 0.0000 34089.6294 -149162.3589 297.7132 -183251.9883 -149071.5631 298.9401 56.2704 89.5639 557909.9093 2.3965 2.3434 PRESSURE: 2857800 -15.2146 -16.4907 -57.8396 -16.4899 -13.785 -63.7899 -57.8388 -63.788 103.328 GPRESSURE: 2857800 -47.893 -88.8907 -50.6721 52.6489 53.081 -39.5036 -26.3225 -98.4191 163.342 PRESSAVG: 2857800 30.857 -27.1436 2.05578 -27.1435 -33.0096 -31.4375 2.05586 -31.4374 6.56747 GPRESSAVG: 2857800 30.8599 -29.3664 3.62254 -27.0716 -32.8643 -33.4696 0.021938 -31.0629 6.06806 TIMING: 2857800 CPU: 8524.3, 0.00301966/step Wall: 8524.3, 0.00301966/step, 1.79687 hours remaining, 204.511719 MB of memory in use. ENERGY: 2857800 732.0835 2084.9626 1965.1788 107.5788 -206183.2839 17769.5980 0.0000 0.0000 34481.8977 -149041.9845 301.1390 -183523.8822 -148951.6646 299.7491 24.7762 56.1765 556962.1674 1.4716 1.3546 PRESSURE: 2858000 41.0281 -103.261 65.2559 -103.261 -115.722 94.0899 65.256 94.0887 -194.957 GPRESSURE: 2858000 52.226 -87.0487 127.8 -161.112 -22.7995 19.1057 59.2697 155.728 -191.609 PRESSAVG: 2858000 18.1408 -28.119 23.2258 -28.1191 -37.9347 24.0662 23.2258 24.0663 -11.191 GPRESSAVG: 2858000 17.8102 -26.895 21.3271 -27.7316 -38.4096 25.7396 25.5164 23.8333 -10.596 TIMING: 2858000 CPU: 8524.9, 0.00303876/step Wall: 8524.9, 0.00303876/step, 1.80806 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: 2858000 758.0063 2087.9011 1951.0005 113.5348 -205638.1133 17466.6222 0.0000 0.0000 34213.9210 -149047.1275 298.7987 -183261.0485 -148942.2755 299.5851 -89.8836 -54.0608 557620.7219 -10.3283 -10.3985 PRESSURE: 2858200 63.3163 -100.882 -81.0086 -100.883 111.466 -69.2906 -81.0084 -69.2898 264.011 GPRESSURE: 2858200 71.6462 -100.774 32.7775 -34.0122 171.797 -26.3523 -53.4095 -83.7219 276.948 PRESSAVG: 2858200 -41.2179 -15.6397 -7.4969 -15.6397 48.8416 -28.5131 -7.49693 -28.5132 -5.29938 GPRESSAVG: 2858200 -41.2458 -15.3473 -7.59568 -16.8515 49.5104 -26.9186 -7.77434 -28.6125 -6.28114 TIMING: 2858200 CPU: 8525.51, 0.00304336/step Wall: 8525.51, 0.00304336/step, 1.81063 hours remaining, 204.511719 MB of memory in use. ENERGY: 2858200 750.9934 2131.2776 1958.7054 111.9800 -206320.4305 18001.1372 0.0000 0.0000 34381.8339 -148984.5029 300.2651 -183366.3369 -148891.3571 299.9351 146.2644 173.4638 557119.1140 0.7748 0.6612 PRESSURE: 2858400 -174.071 58.3018 -83.5366 58.3022 185.826 -56.7807 -83.5378 -56.7797 -93.1244 GPRESSURE: 2858400 -128.278 143.217 -98.0914 4.66696 206.325 -100.224 -164.312 -97.3081 -62.7789 PRESSAVG: 2858400 -3.58787 59.1969 13.4393 59.1969 -1.12883 12.6747 13.4394 12.6749 1.08142 GPRESSAVG: 2858400 -3.97234 60.5322 15.9884 59.086 -2.63926 10.9881 12.9841 13.2723 2.31274 TIMING: 2858400 CPU: 8526.12, 0.0030241/step Wall: 8526.12, 0.0030241/step, 1.79901 hours remaining, 204.511719 MB of memory in use. ENERGY: 2858400 768.8353 2102.6497 1970.0504 128.1842 -206082.3973 17795.8888 0.0000 0.0000 34313.9019 -149002.8869 299.6718 -183316.7888 -148910.0122 299.6040 -27.1232 5.0895 558790.5485 -1.2118 -1.4330 PRESSURE: 2858600 -137.85 172.152 -107.616 172.152 -186.494 -64.0265 -107.617 -64.0261 82.1636 GPRESSURE: 2858600 -127.698 54.1445 -163.032 87.2108 -159.378 -12.9563 -103.3 -96.6217 139.673 PRESSAVG: 2858600 90.9236 10.5874 69.0718 10.5873 -22.8443 -24.1956 69.0719 -24.1957 -26.6614 GPRESSAVG: 2858600 91.3718 7.87941 67.7941 13.4651 -22.3179 -22.8662 67.6855 -25.7431 -28.0745 TIMING: 2858600 CPU: 8526.72, 0.00302146/step Wall: 8526.72, 0.00302146/step, 1.79727 hours remaining, 204.511719 MB of memory in use. ENERGY: 2858600 774.1846 2061.6120 1941.3731 101.0345 -206242.3210 17859.3152 0.0000 0.0000 34270.3464 -149234.4552 299.2915 -183504.8016 -149140.8293 300.0310 -80.7267 -49.1343 559042.6850 13.8060 13.6598 PRESSURE: 2858800 215.37 -70.4635 17.6569 -70.4618 103.235 -16.0693 17.6578 -16.0694 -201.756 GPRESSURE: 2858800 238.163 -15.7116 105.9 -39.5176 152.594 20.2839 -25.7901 35.9651 -165.957 PRESSAVG: 2858800 25.2853 27.1082 -24.6638 27.1082 4.97055 -22.2276 -24.6637 -22.2276 -6.13346 GPRESSAVG: 2858800 24.4716 28.4261 -22.0204 25.9452 4.94426 -23.463 -26.1885 -21.9837 -5.09208 TIMING: 2858800 CPU: 8527.33, 0.00301682/step Wall: 8527.33, 0.00301682/step, 1.79434 hours remaining, 204.511719 MB of memory in use. ENERGY: 2858800 716.3796 2071.5845 1981.6349 126.5380 -205916.7658 17694.1156 0.0000 0.0000 34097.3960 -149229.1172 297.7810 -183326.5132 -149129.5253 299.0586 38.9496 74.9332 556932.3636 8.0408 8.1079 PRESSURE: 2859000 33.9996 -52.8696 122.334 -52.8708 222.78 -166.433 122.335 -166.433 -60.2475 GPRESSURE: 2859000 87.0432 -1.02521 117.456 -93.8306 268.906 -100.901 144.733 -180.266 -56.5117 PRESSAVG: 2859000 48.0085 5.4361 26.3031 5.43618 75.3055 8.86485 26.303 8.86481 -67.9417 GPRESSAVG: 2859000 46.9731 4.83311 24.1367 4.41906 75.3989 9.09205 27.2225 8.82913 -67.0246 TIMING: 2859000 CPU: 8527.93, 0.0030207/step Wall: 8527.93, 0.0030207/step, 1.79648 hours remaining, 204.511719 MB of memory in use. ENERGY: 2859000 740.8003 2103.7479 1956.4226 108.1458 -206116.0193 17818.6602 0.0000 0.0000 34231.4878 -149156.7548 298.9521 -183388.2426 -149063.6346 299.2568 65.5108 99.8126 556181.8206 18.4574 18.4492 PRESSURE: 2859200 -111.521 -63.1202 -139.967 -63.1209 136.814 -66.8812 -139.966 -66.8828 -5.74172 GPRESSURE: 2859200 -44.3545 -53.0772 -173.672 -19.9699 150.405 -84.68 -126.233 -71.2115 12.2426 PRESSAVG: 2859200 -11.7073 -42.3077 43.6877 -42.3077 -18.6276 -30.1238 43.6876 -30.1238 19.8095 GPRESSAVG: 2859200 -9.38322 -42.0636 42.9358 -42.1398 -19.3543 -31.9747 47.2124 -29.4708 18.0653 TIMING: 2859200 CPU: 8528.54, 0.00302626/step Wall: 8528.54, 0.00302626/step, 1.79962 hours remaining, 204.511719 MB of memory in use. ENERGY: 2859200 723.6449 2122.7805 1975.2429 117.2120 -206094.1832 17800.0509 0.0000 0.0000 34138.8787 -149216.3733 298.1433 -183355.2520 -149123.3001 299.1034 6.5170 39.4309 556619.7719 -3.5085 -3.5574 PRESSURE: 2859400 -171.187 16.0099 175.736 16.0107 -161.837 229.694 175.735 229.694 -24.4483 GPRESSURE: 2859400 -183.158 31.0745 126.305 12.0931 -62.1149 240.098 188.452 199.348 -12.262 PRESSAVG: 2859400 -1.3628 -20.4739 60.4664 -20.4739 34.5882 -48.1111 60.4664 -48.1111 -1.75389 GPRESSAVG: 2859400 -2.35782 -20.7485 61.0894 -18.7968 35.0703 -46.2173 58.477 -47.3986 -1.01885 TIMING: 2859400 CPU: 8529.14, 0.00300959/step Wall: 8529.14, 0.00300959/step, 1.78953 hours remaining, 204.511719 MB of memory in use. ENERGY: 2859400 722.5675 2101.8779 1952.1221 106.4159 -206929.6500 18057.5780 0.0000 0.0000 34459.5026 -149529.5860 300.9434 -183989.0886 -149428.1951 298.9650 -119.1575 -85.8451 558046.0681 10.4905 10.5645 PRESSURE: 2859600 -222.131 14.8212 192.39 14.8219 157.447 61.8199 192.39 61.8211 -9.44523 GPRESSURE: 2859600 -150.574 -56.159 264.14 89.5087 238.803 60.0944 59.6885 45.7111 -56.6452 PRESSAVG: 2859600 47.5478 -47.8504 15.1294 -47.8503 0.724619 36.8851 15.1295 36.8851 -66.8673 GPRESSAVG: 2859600 49.0695 -46.628 16.23 -48.6251 -0.176998 35.4372 14.6869 35.8341 -67.1643 TIMING: 2859600 CPU: 8529.74, 0.00300859/step Wall: 8529.74, 0.00300859/step, 1.78877 hours remaining, 204.511719 MB of memory in use. ENERGY: 2859600 754.0415 2091.6383 1955.2769 125.7551 -206412.8225 17790.3499 0.0000 0.0000 33986.9052 -149708.8555 296.8161 -183695.7607 -149612.7499 298.3519 -24.7098 10.5280 556078.9051 -6.1983 -6.0906 PRESSURE: 2859800 26.6127 21.1711 -4.53562 21.1717 72.7105 -108.672 -4.53682 -108.672 9.56481 GPRESSURE: 2859800 39.4088 169.533 15.6789 -40.3946 107.574 -10.1418 -39.4092 -184.996 51.312 PRESSAVG: 2859800 41.4281 -16.3027 56.5429 -16.3027 -14.2699 -49.0933 56.5429 -49.0933 -14.5761 GPRESSAVG: 2859800 39.5604 -16.1254 57.065 -18.3508 -12.7944 -46.7431 55.3275 -50.8295 -14.2404 TIMING: 2859800 CPU: 8530.33, 0.00296851/step Wall: 8530.33, 0.00296851/step, 1.76478 hours remaining, 204.511719 MB of memory in use. ENERGY: 2859800 747.7848 2094.2113 1932.7385 116.3699 -206686.1730 17922.6945 0.0000 0.0000 34061.9976 -149810.3766 297.4719 -183872.3742 -149712.9675 297.5716 36.2960 66.0984 554365.7509 4.1941 4.1752 PRESSURE: 2860000 -184.387 -141.088 123.009 -141.088 -95.3865 147.135 123.007 147.135 -206.616 GPRESSURE: 2860000 -99.0432 -77.3492 174.066 -94.7172 -33.1944 72.6104 81.7036 146.635 -240.839 PRESSAVG: 2860000 17.4817 -52.6906 10.3983 -52.6905 27.5663 15.9136 10.3982 15.9135 -32.7502 GPRESSAVG: 2860000 18.0888 -53.134 9.1103 -50.8294 27.2369 12.9731 12.4684 19.9941 -34.1305 TIMING: 2860000 CPU: 8530.93, 0.00299686/step Wall: 8530.93, 0.00299686/step, 1.78146 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: 2860000 733.0820 2086.9234 1948.5947 122.7965 -206234.3067 17690.6368 0.0000 0.0000 33843.5308 -149808.7426 295.5640 -183652.2734 -149715.2005 297.3739 -162.1297 -124.3588 556353.8241 4.0993 3.7317 PRESSURE: 2860200 -384.421 -96.2894 -80.0435 -96.2907 -146.259 -80.1967 -80.0439 -80.196 -168.266 GPRESSURE: 2860200 -404.063 -56.2872 -68.9722 -95.2716 -51.9534 -145.173 -75.2781 -52.8211 -145.576 PRESSAVG: 2860200 -12.8957 -9.99382 -26.4846 -9.9939 -37.8921 7.78823 -26.4847 7.78832 32.3685 GPRESSAVG: 2860200 -12.5141 -11.6756 -28.5431 -9.24316 -38.2844 10.0024 -26.907 4.69812 32.4569 TIMING: 2860200 CPU: 8531.53, 0.0029933/step Wall: 8531.53, 0.0029933/step, 1.77919 hours remaining, 204.511719 MB of memory in use. ENERGY: 2860200 784.1369 2097.2753 1961.9341 119.2337 -206555.9471 17663.7616 0.0000 0.0000 34224.9326 -149704.6729 298.8948 -183929.6054 -149615.3474 298.2890 -232.9822 -200.5309 557310.9179 -6.1398 -6.1139 LDB: ============= START OF LOAD BALANCING ============== 8534.96 LDB: ============== END OF LOAD BALANCING =============== 8534.96 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8534.96 LDB: ============= START OF LOAD BALANCING ============== 8535.26 LDB: Largest compute 4821 load 0.028694 is 24.3% of average load 0.117972 LDB: Average compute 0.001733 is 1.5% of average load 0.117972 LDB: TIME 8535.26 LOAD: AVG 0.117972 MAX 0.207862 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.305 MB LDB: TIME 8535.26 LOAD: AVG 0.117972 MAX 0.207862 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.504 MB LDB: TIME 8535.26 LOAD: AVG 0.117972 MAX 0.207862 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.504 MB LDB: ============== END OF LOAD BALANCING =============== 8535.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8535.27 PRESSURE: 2860400 -220.073 -51.31 -68.6062 -51.3101 -129.223 -161.853 -68.6078 -161.853 -2.22153 GPRESSURE: 2860400 -244.958 -41.9153 -86.9856 6.68071 -88.318 -152.723 -21.6933 -148.648 82.6899 PRESSAVG: 2860400 -10.4786 -44.7024 -27.7725 -44.7024 -7.03323 -34.8697 -27.7726 -34.8697 34.198 GPRESSAVG: 2860400 -10.9638 -44.3084 -27.0966 -46.687 -6.91894 -36.1823 -27.6194 -31.898 34.1837 TIMING: 2860400 CPU: 8532.14, 0.00303812/step Wall: 8532.14, 0.00303812/step, 1.80566 hours remaining, 205.792969 MB of memory in use. ENERGY: 2860400 767.1975 2111.5947 1947.4067 111.5087 -206535.1595 17815.0715 0.0000 0.0000 34115.6197 -149666.7608 297.9402 -183782.3805 -149564.2261 297.8681 -117.1725 -83.5288 559281.4911 5.5620 5.4337 PRESSURE: 2860600 -55.6853 -67.1572 100.552 -67.1564 68.3446 92.1406 100.552 92.1404 79.8011 GPRESSURE: 2860600 -58.7585 -60.2322 71.6468 -65.0275 175.894 116.65 77.4587 156.88 51.7087 PRESSAVG: 2860600 -49.5146 -6.83576 -4.05054 -6.83564 -59.5362 34.5831 -4.05055 34.5831 47.8993 GPRESSAVG: 2860600 -51.0184 -6.73843 -5.29109 -5.59102 -58.1138 37.5434 -4.19801 32.159 47.5962 TIMING: 2860600 CPU: 8532.74, 0.00302489/step Wall: 8532.74, 0.00302489/step, 1.79762 hours remaining, 205.792969 MB of memory in use. ENERGY: 2860600 750.8200 2133.0400 1922.0370 103.4467 -206688.5647 18064.5393 0.0000 0.0000 34159.5095 -149555.1723 298.3235 -183714.6818 -149450.5680 298.3423 30.8201 56.2814 558786.0164 -20.3838 -20.5120 PRESSURE: 2860800 -275.392 32.0143 99.8267 32.0139 -277.803 -31.7661 99.826 -31.766 -87.3075 GPRESSURE: 2860800 -215.582 64.6501 51.0156 67.0637 -209.826 -57.1593 142.123 -0.870502 -113.6 PRESSAVG: 2860800 45.6608 -2.9043 -39.217 -2.90425 21.0407 -33.6096 -39.2172 -33.6096 -9.7048 GPRESSAVG: 2860800 48.2321 -2.14905 -39.2559 -4.79682 19.2016 -34.9774 -37.9798 -31.1355 -10.0968 TIMING: 2860800 CPU: 8533.34, 0.00300214/step Wall: 8533.34, 0.00300214/step, 1.78394 hours remaining, 205.792969 MB of memory in use. ENERGY: 2860800 740.7285 2103.7707 1934.8970 117.0372 -205945.5527 17373.6405 0.0000 0.0000 34103.9077 -149571.5712 297.8379 -183675.4789 -149474.9971 298.3680 -213.5006 -179.6695 559380.4270 18.9989 19.1123 PRESSURE: 2861000 -32.0939 -145.659 -171.155 -145.658 -19.0382 127.236 -171.155 127.236 363.272 GPRESSURE: 2861000 5.608 -171.283 -162.487 -128.314 23.1779 94.8172 -148.922 215.736 371.444 PRESSAVG: 2861000 8.7127 -47.8144 -5.55188 -47.8144 2.80309 -7.96967 -5.55183 -7.96964 -18.1967 GPRESSAVG: 2861000 6.77721 -48.4856 -5.68849 -44.2121 3.89543 -10.1644 -4.79832 -9.27729 -17.4185 TIMING: 2861000 CPU: 8533.95, 0.00301614/step Wall: 8533.95, 0.00301614/step, 1.79209 hours remaining, 205.792969 MB of memory in use. ENERGY: 2861000 748.1125 2096.3958 1950.8424 135.6425 -206716.9335 18074.6434 0.0000 0.0000 34190.3120 -149520.9849 298.5925 -183711.2968 -149424.5992 298.4208 104.0467 133.4100 557687.7630 -2.2270 -2.2486 PRESSURE: 2861200 -105.627 53.994 -38.7879 53.9919 -371.994 70.1485 -38.7894 70.1469 101.138 GPRESSURE: 2861200 -48.6772 105.133 31.8136 61.7046 -408.314 67.5838 -56.3733 133.438 192.748 PRESSAVG: 2861200 -15.8036 -47.9663 9.78255 -47.9663 -56.6726 -14.0481 9.78261 -14.0481 26.9003 GPRESSAVG: 2861200 -14.2374 -47.6055 11.5865 -49.7954 -58.8105 -12.4107 7.22453 -13.081 26.9608 TIMING: 2861200 CPU: 8534.55, 0.00302303/step Wall: 8534.55, 0.00302303/step, 1.79602 hours remaining, 205.792969 MB of memory in use. ENERGY: 2861200 747.3953 2118.3547 1923.2029 110.1758 -206245.5410 17686.7309 0.0000 0.0000 34185.1277 -149474.5535 298.5472 -183659.6812 -149379.2631 298.1461 -125.4945 -88.0814 557258.0774 -15.1919 -15.3624 PRESSURE: 2861400 -89.984 -34.1501 44.5191 -34.1502 196.557 -54.4079 44.5181 -54.4091 -45.8682 GPRESSURE: 2861400 -19.9586 -45.5279 -4.70365 -28.89 196.129 -103.628 88.1528 -81.7447 -12.7467 PRESSAVG: 2861400 44.7353 4.58275 32.0969 4.58274 -46.5077 9.56518 32.0968 9.56523 3.69409 GPRESSAVG: 2861400 44.1416 2.71698 32.4615 4.82023 -45.531 9.65615 33.5009 9.51504 3.51074 TIMING: 2861400 CPU: 8535.15, 0.00300988/step Wall: 8535.15, 0.00300988/step, 1.78804 hours remaining, 205.792969 MB of memory in use. ENERGY: 2861400 756.2403 2099.2980 1926.2147 103.1228 -206064.7823 17754.4216 0.0000 0.0000 34099.4951 -149325.9900 297.7994 -183425.4851 -149231.6678 298.6881 20.2351 54.4744 557070.1175 0.6406 0.7071 PRESSURE: 2861600 127.415 197.547 -173.093 197.546 -161.517 6.53272 -173.093 6.53177 271.116 GPRESSURE: 2861600 117.302 253.875 -148.051 56.9979 -112.995 16.5689 -175.165 8.80154 326.325 PRESSAVG: 2861600 37.2848 26.9306 34.9915 26.9307 -40.4009 -17.3439 34.9915 -17.3439 34.2145 GPRESSAVG: 2861600 36.1981 27.9068 34.8971 25.5373 -39.753 -15.9161 33.7461 -19.2863 34.7335 TIMING: 2861600 CPU: 8535.75, 0.00298317/step Wall: 8535.75, 0.00298317/step, 1.772 hours remaining, 205.792969 MB of memory in use. ENERGY: 2861600 733.0816 2059.4766 1938.2597 116.5256 -206369.1265 17894.8433 0.0000 0.0000 34371.9483 -149254.9913 300.1788 -183626.9397 -149163.2018 299.1335 79.0048 110.2105 555982.9100 10.3661 10.3929 PRESSURE: 2861800 -86.17 -28.0085 -27.4347 -28.0076 -203.144 323.745 -27.4349 323.743 -134.582 GPRESSURE: 2861800 -71.7774 -81.0032 -11.9482 115.215 -199.637 310.207 14.5147 188.915 -58.1547 PRESSAVG: 2861800 9.87587 31.2289 -43.9963 31.2289 -22.6034 25.7048 -43.9964 25.705 17.0551 GPRESSAVG: 2861800 11.4559 29.1686 -43.2014 34.0702 -22.8173 22.6033 -43.1367 26.6267 15.5492 TIMING: 2861800 CPU: 8536.35, 0.00301116/step Wall: 8536.35, 0.00301116/step, 1.78846 hours remaining, 205.792969 MB of memory in use. ENERGY: 2861800 764.2467 2093.3705 1921.6984 102.0832 -205787.1136 17465.6641 0.0000 0.0000 33970.8117 -149469.2390 296.6755 -183440.0507 -149376.3071 298.5663 -141.2988 -109.8565 557204.7593 1.4425 1.3959 PRESSURE: 2862000 -189.612 33.6686 -6.89931 33.6682 -206.475 8.28297 -6.89982 8.28376 -79.1816 GPRESSURE: 2862000 -171.599 70.1011 63.1005 17.999 -209.851 -118.763 -32.6552 116.278 -0.693395 PRESSAVG: 2862000 33.5722 30.093 -13.7139 30.0929 -6.54973 44.9481 -13.7138 44.9481 -43.6752 GPRESSAVG: 2862000 33.5553 30.9853 -14.9884 28.6172 -6.64181 45.9459 -13.0605 45.0576 -43.2632 TIMING: 2862000 CPU: 8536.95, 0.00300824/step Wall: 8536.95, 0.00300824/step, 1.78656 hours remaining, 205.792969 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: 2862000 809.2757 2098.6907 1949.8514 127.3395 -206143.2571 17587.9520 0.0000 0.0000 34168.9810 -149401.1669 298.4062 -183570.1478 -149305.9927 298.8008 -158.4228 -127.3812 558565.6707 -5.5509 -5.4499 PRESSURE: 2862200 -151.322 -116.629 77.7693 -116.629 -136.997 20.2348 77.7696 20.2335 -365.137 GPRESSURE: 2862200 -164.914 -132.074 30.7563 -37.8554 -86.0279 85.8893 126.27 -84.8155 -293.375 PRESSAVG: 2862200 -11.4861 4.04624 -16.6435 4.04626 39.9638 -12.7515 -16.6435 -12.7517 -56.0712 GPRESSAVG: 2862200 -12.5582 3.54854 -16.7921 5.85731 39.8544 -13.5351 -15.9793 -12.8974 -54.6329 TIMING: 2862200 CPU: 8537.56, 0.00301316/step Wall: 8537.56, 0.00301316/step, 1.78931 hours remaining, 205.792969 MB of memory in use. ENERGY: 2862200 743.9154 2065.0742 1956.0932 113.6818 -206128.8740 17679.6844 0.0000 0.0000 34212.5196 -149357.9054 298.7864 -183570.4250 -149261.8523 298.6017 -217.8187 -181.4389 559362.0094 -9.1978 -9.1123 PRESSURE: 2862400 -74.2297 -115.27 38.159 -115.271 -89.2805 40.7426 38.1591 40.7444 -109.635 GPRESSURE: 2862400 16.5598 -146.275 110.561 -108.581 -109.414 32.9198 15.0196 37.6215 -89.4532 PRESSAVG: 2862400 -12.6613 26.5145 1.43152 26.5146 -9.88721 -26.2105 1.43152 -26.2105 37.48 GPRESSAVG: 2862400 -11.7549 27.6446 2.94542 25.0257 -9.22473 -24.6006 0.214287 -26.415 34.8799 TIMING: 2862400 CPU: 8538.16, 0.00301274/step Wall: 8538.16, 0.00301274/step, 1.7889 hours remaining, 205.792969 MB of memory in use. ENERGY: 2862400 763.1400 2148.4350 1916.5907 124.8027 -206085.4008 17698.0807 0.0000 0.0000 34153.1030 -149281.2487 298.2675 -183434.3517 -149185.1841 299.0202 -91.0486 -60.7691 556997.0399 4.9772 4.6334 PRESSURE: 2862600 94.3963 130.996 84.6333 130.995 1.12674 1.31849 84.6333 1.31922 93.5064 GPRESSURE: 2862600 120.465 102.517 115.14 130.247 38.1199 -45.5627 126.732 -11.7324 128.724 PRESSAVG: 2862600 24.9865 2.89351 1.89479 2.89347 -25.847 -44.7478 1.89483 -44.7479 8.0474 GPRESSAVG: 2862600 24.2988 1.50428 0.993571 3.70189 -26.7564 -44.5878 1.25361 -45.6518 9.546 TIMING: 2862600 CPU: 8538.76, 0.00300829/step Wall: 8538.76, 0.00300829/step, 1.78609 hours remaining, 205.792969 MB of memory in use. ENERGY: 2862600 731.5744 2129.6575 1940.3543 117.3331 -206695.7111 18012.4903 0.0000 0.0000 34218.4977 -149545.8038 298.8387 -183764.3015 -149452.4795 298.7402 63.0098 95.7696 555540.3798 2.3956 2.3628 PRESSURE: 2862800 -180.534 36.3231 -104.74 36.3238 -239.151 114.093 -104.739 114.094 219.63 GPRESSURE: 2862800 -91.2634 57.0982 -98.0132 50.2918 -213.604 135.4 -122.289 112.169 201.446 PRESSAVG: 2862800 18.2012 8.29291 5.26486 8.29295 -20.5024 35.5985 5.26477 35.5985 41.1758 GPRESSAVG: 2862800 18.1779 11.6272 6.335 5.74975 -19.9447 33.7091 5.71385 37.5679 40.1931 TIMING: 2862800 CPU: 8539.36, 0.00300229/step Wall: 8539.36, 0.00300229/step, 1.78236 hours remaining, 205.792969 MB of memory in use. ENERGY: 2862800 748.2181 2038.8452 1932.3513 112.0521 -206378.3159 17707.9715 0.0000 0.0000 34182.7747 -149656.1030 298.5267 -183838.8777 -149559.7714 298.1461 -66.6853 -34.4740 555988.7893 12.9582 12.8088 PRESSURE: 2863000 173.192 -168.06 83.6349 -168.06 252.662 -80.7629 83.6351 -80.7648 468.224 GPRESSURE: 2863000 239.962 -114.475 4.40107 -164.297 312.031 21.8533 84.7278 -64.1801 434.329 PRESSAVG: 2863000 -5.79668 -39.2573 21.8225 -39.2571 41.8686 10.3126 21.8225 10.3124 -37.688 GPRESSAVG: 2863000 -5.58864 -41.0245 21.8363 -36.8121 40.8889 12.0336 21.9852 8.68296 -37.0616 TIMING: 2863000 CPU: 8539.96, 0.00298755/step Wall: 8539.96, 0.00298755/step, 1.77344 hours remaining, 205.792969 MB of memory in use. ENERGY: 2863000 765.2398 2081.6323 1959.4299 111.6322 -206738.0307 18285.6695 0.0000 0.0000 33965.1613 -149569.2658 296.6262 -183534.4271 -149470.2868 298.1758 298.0261 328.7740 555284.0936 -0.5387 -0.5871 PRESSURE: 2863200 -128.897 -60.0337 -53.6943 -60.0345 46.8702 113.27 -53.695 113.271 93.2865 GPRESSURE: 2863200 -103.082 -96.0751 -22.8416 -16.3205 58.4592 123.617 -63.8824 91.018 152.541 PRESSAVG: 2863200 8.74542 -47.9403 -4.98223 -47.9403 44.4417 -19.5257 -4.98229 -19.5257 -51.3276 GPRESSAVG: 2863200 8.01591 -47.9643 -6.81254 -48.8466 46.4262 -20.8295 -4.32055 -18.2597 -52.6505 TIMING: 2863200 CPU: 8540.56, 0.00300852/step Wall: 8540.56, 0.00300852/step, 1.78572 hours remaining, 205.792969 MB of memory in use. ENERGY: 2863200 773.0954 2069.4989 1928.5665 113.1906 -206062.6409 17728.3183 0.0000 0.0000 33928.3806 -149521.5906 296.3050 -183449.9712 -149425.6997 297.8209 3.7531 35.9725 557204.0901 0.6199 0.5972 PRESSURE: 2863400 -255.099 -51.4003 -114.37 -51.4 -238.55 -74.2332 -114.37 -74.2329 -103.85 GPRESSURE: 2863400 -208.318 -108.773 -174.285 -10.2087 -195.132 -68.4202 -42.5634 -82.9307 -76.6478 PRESSAVG: 2863400 17.1936 -52.8847 -37.4994 -52.8847 -15.5584 8.05536 -37.4995 8.05534 -38.7368 GPRESSAVG: 2863400 17.9113 -52.7895 -35.241 -52.8487 -16.9566 9.26183 -41.4538 5.6285 -38.4393 TIMING: 2863400 CPU: 8541.16, 0.00300341/step Wall: 8541.16, 0.00300341/step, 1.78253 hours remaining, 205.792969 MB of memory in use. ENERGY: 2863400 761.6425 2141.9980 1924.1148 109.1914 -206022.0740 17469.3190 0.0000 0.0000 34178.1291 -149437.6792 298.4861 -183615.8083 -149349.5782 298.2236 -199.1664 -160.0327 555665.8999 -12.3672 -12.4949 PRESSURE: 2863600 -176.413 -212.89 -65.5116 -212.889 -18.8745 -91.0849 -65.5113 -91.0847 -124.493 GPRESSURE: 2863600 -133.058 -218.373 -140.99 -187.124 -22.3824 -110.174 -9.76541 -65.1572 -71.4757 PRESSAVG: 2863600 37.1277 7.39045 0.444458 7.39041 14.75 -16.93 0.444397 -16.9299 -49.6667 GPRESSAVG: 2863600 35.6382 6.88065 -2.88915 9.56851 15.2986 -17.8555 5.56791 -13.8013 -48.9657 TIMING: 2863600 CPU: 8541.77, 0.00303365/step Wall: 8541.77, 0.00303365/step, 1.8003 hours remaining, 205.792969 MB of memory in use. ENERGY: 2863600 768.6632 2126.8274 1913.2185 102.2769 -206158.0882 17722.4533 0.0000 0.0000 34212.0298 -149312.6192 298.7822 -183524.6490 -149210.3560 298.9877 -106.5935 -75.6387 558122.8964 0.7370 0.6570 PRESSURE: 2863800 -215.038 -45.9717 12.1307 -45.972 -235.703 -44.7456 12.1311 -44.7464 -360.614 GPRESSURE: 2863800 -194.247 -81.8741 -78.8315 14.9315 -198.251 -21.546 -47.3438 -91.4958 -309.242 PRESSAVG: 2863800 13.6971 -71.6987 3.64901 -71.6986 -63.4124 14.3188 3.64912 14.3188 47.9176 GPRESSAVG: 2863800 13.7212 -71.3654 2.15043 -73.6217 -63.3774 14.8574 1.72461 11.7728 48.0106 TIMING: 2863800 CPU: 8542.38, 0.0030534/step Wall: 8542.38, 0.0030534/step, 1.81186 hours remaining, 205.792969 MB of memory in use. ENERGY: 2863800 797.1629 2034.4151 1946.8545 106.0304 -205578.6455 17316.7970 0.0000 0.0000 34113.8693 -149263.5163 297.9249 -183377.3856 -149163.5147 299.1963 -270.4518 -233.9131 558683.7042 -0.5992 -0.5485 PRESSURE: 2864000 -207.686 11.7821 -56.0749 11.7816 -340.016 -129.222 -56.0735 -129.223 -309.948 GPRESSURE: 2864000 -142.874 -49.2002 -74.6379 -44.6467 -380.111 -63.7404 -80.5748 -137.607 -233.778 PRESSAVG: 2864000 26.9766 -7.29815 15.5398 -7.29816 39.1028 -13.1619 15.5398 -13.1618 -18.3294 GPRESSAVG: 2864000 26.7869 -7.246 17.6455 -9.51322 39.555 -13.7571 14.7652 -10.349 -18.2521 TIMING: 2864000 CPU: 8542.98, 0.0030017/step Wall: 8542.98, 0.0030017/step, 1.78101 hours remaining, 205.792969 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: 2864000 796.9067 2035.1850 1943.9072 102.0827 -205560.5523 17366.8484 0.0000 0.0000 34280.5656 -149035.0567 299.3807 -183315.6223 -148936.2236 299.5057 -285.8832 -252.2543 558409.6933 15.9167 16.0300 PRESSURE: 2864200 88.3275 61.4458 66.6794 61.4454 130.134 -274.662 66.6798 -274.66 143.935 GPRESSURE: 2864200 119.375 61.6946 -7.14827 128.236 140.306 -333.415 68.3156 -257.217 197.533 PRESSAVG: 2864200 -42.9333 -5.7503 -2.13735 -5.75029 22.1646 -21.4315 -2.13745 -21.4315 19.8495 GPRESSAVG: 2864200 -43.1005 -6.12202 -0.846223 -4.13319 20.9823 -19.1504 -2.40768 -24.179 20.8778 TIMING: 2864200 CPU: 8543.59, 0.00303577/step Wall: 8543.59, 0.00303577/step, 1.80105 hours remaining, 205.792969 MB of memory in use. ENERGY: 2864200 745.1217 2110.5902 1952.0241 108.2157 -206166.9078 17939.7517 0.0000 0.0000 34084.9240 -149226.2805 297.6721 -183311.2044 -149133.2992 299.2780 120.7990 152.4047 556738.5801 -0.3064 -0.4134 LDB: ============= START OF LOAD BALANCING ============== 8547.02 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8547.02 LDB: =============== DONE WITH MIGRATION ================ 8547.02 LDB: ============= START OF LOAD BALANCING ============== 8547.32 LDB: Largest compute 4821 load 0.029426 is 24.9% of average load 0.118007 LDB: Average compute 0.001744 is 1.5% of average load 0.118007 LDB: TIME 8547.33 LOAD: AVG 0.118007 MAX 0.207439 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.367 MB LDB: TIME 8547.33 LOAD: AVG 0.118007 MAX 0.207439 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.367 MB LDB: TIME 8547.33 LOAD: AVG 0.118007 MAX 0.207439 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.367 MB LDB: ============== END OF LOAD BALANCING =============== 8547.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8547.33 PRESSURE: 2864400 32.3397 -79.902 -20.0081 -79.9025 -81.8278 100.894 -20.0087 100.895 95.909 GPRESSURE: 2864400 84.6656 -81.0407 -16.4956 -94.3059 -71.1375 113.224 103.254 116.599 129.119 PRESSAVG: 2864400 -10.8611 38.2916 1.42869 38.2916 12.9923 -3.55596 1.42875 -3.55595 -7.39785 GPRESSAVG: 2864400 -10.8543 37.5594 0.107304 39.3043 12.502 -5.88743 3.68864 -2.00133 -7.32069 TIMING: 2864400 CPU: 8544.2, 0.00308162/step Wall: 8544.2, 0.00308162/step, 1.82808 hours remaining, 207.539062 MB of memory in use. ENERGY: 2864400 750.2878 2109.2936 1922.1934 116.9159 -206042.6593 17748.5638 0.0000 0.0000 34306.2903 -149089.1146 299.6054 -183395.4048 -149000.4936 299.4651 15.4737 47.5491 556685.6797 -1.7556 -1.8910 PRESSURE: 2864600 31.4318 247.862 44.8302 247.862 36.3848 70.853 44.8299 70.8518 -219.535 GPRESSURE: 2864600 68.4866 211.113 53.7769 150.571 50.3715 111.661 -64.0683 41.5911 -175.508 PRESSAVG: 2864600 -23.0965 -39.8426 26.1092 -39.8426 10.4853 21.5685 26.1093 21.5685 13.456 GPRESSAVG: 2864600 -21.322 -39.3098 27.3085 -40.7331 10.705 23.3456 25.4393 21.2412 12.0805 TIMING: 2864600 CPU: 8544.81, 0.0030326/step Wall: 8544.81, 0.0030326/step, 1.79884 hours remaining, 207.781250 MB of memory in use. ENERGY: 2864600 741.5844 2080.2946 1929.9149 117.0723 -206235.3260 17719.8599 0.0000 0.0000 34447.6602 -149198.9397 300.8400 -183646.5999 -149093.1492 299.3704 -50.5728 -18.8834 556709.9752 0.2816 0.4878 PRESSURE: 2864800 73.238 24.4202 -119.113 24.4206 69.6493 -92.5039 -119.114 -92.5046 64.8806 GPRESSURE: 2864800 41.5019 41.4677 -89.0513 35.3728 129.319 -104.067 -64.0033 -39.9147 142.202 PRESSAVG: 2864800 -10.1925 76.1743 18.7704 76.1744 43.5046 -22.3153 18.7704 -22.3154 -44.5129 GPRESSAVG: 2864800 -11.3591 76.3862 18.9845 76.3497 43.9984 -21.086 19.2404 -23.0688 -43.0704 TIMING: 2864800 CPU: 8545.41, 0.00300708/step Wall: 8545.41, 0.00300708/step, 1.78353 hours remaining, 207.843750 MB of memory in use. ENERGY: 2864800 756.5597 2108.5677 1937.4065 122.2029 -206548.0707 18151.0729 0.0000 0.0000 34227.8568 -149244.4041 298.9204 -183472.2609 -149152.3138 299.0376 69.2560 104.3410 557676.3937 -3.7336 -3.4770 PRESSURE: 2865000 -49.3151 -105.045 -17.1601 -105.045 -383.646 -26.8484 -17.161 -26.849 -203.729 GPRESSURE: 2865000 -11.445 -131.634 49.6824 -160.208 -355.22 -2.9592 -93.044 48.3243 -170.133 PRESSAVG: 2865000 -50.2752 38.6284 -4.12657 38.6284 85.4391 -30.5456 -4.1266 -30.5456 18.8454 GPRESSAVG: 2865000 -48.7494 38.825 -2.83356 37.5062 84.4583 -32.5101 -7.2444 -29.6796 18.3013 TIMING: 2865000 CPU: 8546.01, 0.00300702/step Wall: 8546.01, 0.00300702/step, 1.78333 hours remaining, 207.843750 MB of memory in use. ENERGY: 2865000 757.1841 2074.2572 1930.6207 112.9568 -206030.7105 17705.8708 0.0000 0.0000 34043.0473 -149406.7736 297.3064 -183449.8209 -149306.5426 298.5956 -212.2301 -178.9329 559143.2929 18.0031 18.0034 PRESSURE: 2865200 59.8406 159.382 -99.0403 159.384 -39.2632 207.511 -99.0411 207.512 -76.0433 GPRESSURE: 2865200 64.0564 124.18 -121.447 101.43 -21.101 249.267 -66.2624 129.71 -0.225776 PRESSAVG: 2865200 -33.579 17.0321 -32.6238 17.032 72.936 40.5497 -32.6238 40.5497 -40.7613 GPRESSAVG: 2865200 -34.9274 17.7128 -34.2766 18.5493 73.2236 41.4416 -31.5044 40.5097 -39.5437 TIMING: 2865200 CPU: 8546.62, 0.00301586/step Wall: 8546.62, 0.00301586/step, 1.7884 hours remaining, 207.843750 MB of memory in use. ENERGY: 2865200 730.6516 2054.2668 1960.4717 98.4646 -206390.0969 18036.6228 0.0000 0.0000 34145.8336 -149363.7858 298.2041 -183509.6194 -149261.8151 298.8231 -18.4887 14.2432 560046.0204 -0.4681 -0.4158 PRESSURE: 2865400 67.3102 -229.219 -58.2434 -229.219 77.7114 -296.071 -58.2446 -296.071 -202.942 GPRESSURE: 2865400 105.11 -238.256 -111.237 -152.863 100.814 -250 -46.2444 -210.847 -175.09 PRESSAVG: 2865400 13.5796 -43.8318 -13.6855 -43.8318 -58.2237 -8.20989 -13.6855 -8.21003 36.4383 GPRESSAVG: 2865400 13.9489 -44.7399 -12.4164 -42.1672 -58.2245 -8.88077 -14.2164 -7.4138 35.9497 TIMING: 2865400 CPU: 8547.22, 0.00301916/step Wall: 8547.22, 0.00301916/step, 1.79019 hours remaining, 207.843750 MB of memory in use. ENERGY: 2865400 729.9186 2094.3956 1966.4653 102.5179 -206018.7772 17858.2015 0.0000 0.0000 33982.1049 -149285.1734 296.7742 -183267.2783 -149183.4615 298.4082 -19.3067 10.2777 560078.9147 -2.7353 -2.7753 PRESSURE: 2865600 -16.1232 -30.1031 152.647 -30.104 -135.491 179.492 152.646 179.493 -215.16 GPRESSURE: 2865600 -16.9134 -1.00745 148.018 -34.7538 -83.2257 125.981 150.675 239.989 -179.258 PRESSAVG: 2865600 -9.17134 -58.4944 -1.31054 -58.4945 -20.8055 -0.651 -1.31046 -0.650784 38.1366 GPRESSAVG: 2865600 -8.6334 -60.0074 -2.82081 -58.3777 -20.8621 1.39351 1.66502 -2.37348 38.096 TIMING: 2865600 CPU: 8547.82, 0.00300769/step Wall: 8547.82, 0.00300769/step, 1.78322 hours remaining, 207.843750 MB of memory in use. ENERGY: 2865600 752.4172 2066.4360 1927.2736 120.6572 -206161.0482 17809.2887 0.0000 0.0000 34206.1156 -149278.8600 298.7305 -183484.9756 -149187.5611 298.2225 -122.2581 -93.1324 558778.0272 2.7199 2.8668 PRESSURE: 2865800 -236.908 -127.936 105.728 -127.936 -277.004 71.1792 105.728 71.179 -204.31 GPRESSURE: 2865800 -224.491 -64.4558 77.9771 -148.391 -221.684 -7.73974 143.961 94.5357 -170.596 PRESSAVG: 2865800 40.3608 -17.9143 19.8146 -17.9142 -23.6175 12.6335 19.8146 12.6336 -64.8273 GPRESSAVG: 2865800 40.4872 -16.0308 20.8684 -20.6598 -23.9368 10.6453 17.5093 12.958 -64.2203 TIMING: 2865800 CPU: 8548.42, 0.00299934/step Wall: 8548.42, 0.00299934/step, 1.77811 hours remaining, 207.843750 MB of memory in use. ENERGY: 2865800 745.5049 2083.6713 1949.9051 110.8999 -205957.4466 17455.4223 0.0000 0.0000 34384.0274 -149228.0157 300.2843 -183612.0432 -149126.9511 298.8326 -239.4073 -205.5900 557953.8499 -16.0280 -15.8899 PRESSURE: 2866000 89.8806 60.0719 209.041 60.0699 -147.299 -19.3195 209.04 -19.3189 -13.0479 GPRESSURE: 2866000 131.068 34.5062 100.819 71.6496 -109.509 -81.8809 172.903 -47.5882 7.79979 PRESSAVG: 2866000 29.982 -2.47433 20.8374 -2.47443 15.6692 8.09622 20.8374 8.0961 -29.3028 GPRESSAVG: 2866000 28.5908 -1.32476 21.551 -1.33337 17.2496 9.83273 20.45 10.1563 -29.6785 TIMING: 2866000 CPU: 8549.02, 0.00298832/step Wall: 8549.02, 0.00298832/step, 1.77141 hours remaining, 207.843750 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: 2866000 777.2908 2141.4132 1917.1719 109.7347 -206533.4390 17966.7881 0.0000 0.0000 34444.6409 -149176.3992 300.8136 -183621.0401 -149085.1241 298.8472 -23.4886 9.7864 558037.3269 5.4495 5.3873 PRESSURE: 2866200 185.258 -32.7837 -43.0503 -32.7834 161.713 22.0982 -43.0497 22.0984 106.375 GPRESSURE: 2866200 185.355 -53.3248 -104.193 -40.4618 211.369 52.6208 48.2933 -21.2373 149.113 PRESSAVG: 2866200 12.4937 27.829 72.0445 27.829 -11.0544 -75.6769 72.0445 -75.6769 10.1744 GPRESSAVG: 2866200 11.3964 27.3642 70.8567 27.5547 -11.9256 -76.7185 71.7492 -77.742 11.7993 TIMING: 2866200 CPU: 8549.62, 0.00301417/step Wall: 8549.62, 0.00301417/step, 1.78656 hours remaining, 207.843750 MB of memory in use. ENERGY: 2866200 752.8153 2099.0623 1942.5402 117.3412 -206860.6151 18253.7053 0.0000 0.0000 34290.3321 -149404.8187 299.4660 -183695.1509 -149311.0700 298.4694 151.1153 181.9457 557141.7856 3.8713 3.7567 PRESSURE: 2866400 -210.883 -29.6067 -123.738 -29.608 -32.8815 -88.4817 -123.735 -88.4811 99.0255 GPRESSURE: 2866400 -213.078 -68.3613 -46.2346 -38.453 77.8347 -117.594 -149.964 -83.6269 95.637 PRESSAVG: 2866400 -15.093 15.3325 -57.9387 15.3324 -9.17641 59.0514 -57.9387 59.0516 20.7205 GPRESSAVG: 2866400 -13.9875 13.0134 -55.2336 16.729 -9.00807 58.3422 -58.442 60.5307 19.0526 TIMING: 2866400 CPU: 8550.22, 0.00301985/step Wall: 8550.22, 0.00301985/step, 1.78976 hours remaining, 207.843750 MB of memory in use. ENERGY: 2866400 761.9762 2123.4469 1944.5730 124.9969 -206420.1305 17794.4335 0.0000 0.0000 34248.1136 -149422.5905 299.0973 -183670.7040 -149328.0998 298.3121 -48.2462 -13.2022 557115.9161 -1.1830 -1.3143 PRESSURE: 2866600 -368.004 74.4735 97.9976 74.4741 34.4439 -85.1869 97.9975 -85.1875 169.077 GPRESSURE: 2866600 -332.057 112.265 40.0639 61.6162 83.136 -44.8052 92.7919 -81.5861 173.169 PRESSAVG: 2866600 -35.3879 -21.6117 -34.2423 -21.6115 32.4958 22.7441 -34.2422 22.7441 47.4888 GPRESSAVG: 2866600 -35.3933 -19.6166 -35.6074 -22.7719 31.6755 24.5909 -33.1884 21.0266 48.5343 TIMING: 2866600 CPU: 8550.83, 0.00303214/step Wall: 8550.83, 0.00303214/step, 1.79688 hours remaining, 207.843750 MB of memory in use. ENERGY: 2866600 738.6637 2087.3814 1938.9914 120.0828 -206031.7972 17737.3065 0.0000 0.0000 34110.2122 -149299.1591 297.8930 -183409.3714 -149208.1475 298.8054 -54.8275 -25.2505 558363.7172 14.8656 14.9388 PRESSURE: 2866800 -10.08 -53.8962 -43.8277 -53.895 -31.8588 -81.3213 -43.8279 -81.3218 -274.142 GPRESSURE: 2866800 -13.134 -27.1826 -49.493 -109.982 -7.28558 -108.439 1.37609 -74.8305 -213.506 PRESSAVG: 2866800 -62.3961 -54.3089 -55.6638 -54.309 21.32 16.5241 -55.6638 16.5241 69.0441 GPRESSAVG: 2866800 -61.1091 -53.8542 -56.6497 -53.4234 21.6174 17.2207 -56.3803 15.017 67.4377 TIMING: 2866800 CPU: 8551.43, 0.00301664/step Wall: 8551.43, 0.00301664/step, 1.78752 hours remaining, 207.843750 MB of memory in use. ENERGY: 2866800 760.3657 2055.4517 1936.0597 103.8229 -205929.1082 17669.5003 0.0000 0.0000 34215.3153 -149188.5926 298.8109 -183403.9079 -149089.5296 298.7792 -105.3603 -77.9752 558667.7825 9.3227 9.3153 PRESSURE: 2867000 -63.5953 -60.9636 -51.292 -60.9633 -324.346 -50.9735 -51.2938 -50.9726 -28.6868 GPRESSURE: 2867000 -24.8848 -84.666 -44.358 -21.9093 -284.761 2.48166 -66.4474 -90.3776 -17.8455 PRESSAVG: 2867000 -80.8469 -64.3605 -12.4457 -64.3606 61.7061 -17.709 -12.4457 -17.7089 5.95804 GPRESSAVG: 2867000 -82.6428 -65.5742 -10.7886 -66.7034 62.7983 -18.0855 -13.4583 -16.1226 6.79365 TIMING: 2867000 CPU: 8552.04, 0.00303394/step Wall: 8552.04, 0.00303394/step, 1.79761 hours remaining, 207.843750 MB of memory in use. ENERGY: 2867000 742.2123 2037.6298 1921.3935 117.0657 -205554.1905 17436.1694 0.0000 0.0000 34122.8862 -149176.8336 298.0037 -183299.7198 -149077.7889 299.1213 -138.8759 -109.1639 558739.6896 -4.3943 -4.3503 PRESSURE: 2867200 183.703 97.9099 -195.404 97.9098 178.058 45.5755 -195.404 45.5761 98.0885 GPRESSURE: 2867200 200.252 146.883 -154.209 103.114 233.34 21.6094 -161.969 17.0588 138.153 PRESSAVG: 2867200 40.4292 -45.5304 -38.7633 -45.5304 14.144 69.1227 -38.7634 69.1227 -64.0469 GPRESSAVG: 2867200 41.7506 -45.9764 -39.6592 -42.2039 13.752 66.543 -37.7866 71.7355 -64.1031 TIMING: 2867200 CPU: 8552.64, 0.00300872/step Wall: 8552.64, 0.00300872/step, 1.7825 hours remaining, 207.843750 MB of memory in use. ENERGY: 2867200 726.2066 2106.8589 1944.1179 109.9482 -206655.3866 18290.8028 0.0000 0.0000 34339.6934 -149137.7587 299.8971 -183477.4521 -149041.4792 299.5877 153.2832 190.5819 558423.2550 -3.1579 -2.8668 PRESSURE: 2867400 266.751 -25.6409 143.666 -25.6394 188.199 -10.2203 143.666 -10.2208 39.7153 GPRESSURE: 2867400 319.52 -14.4857 155.858 -59.2022 196.643 -38.1789 89.7874 27.1244 79.3134 PRESSAVG: 2867400 25.2926 31.438 41.8117 31.438 12.1659 -31.9208 41.8117 -31.9208 -56.6594 GPRESSAVG: 2867400 25.9099 32.1765 40.1181 30.6568 11.5942 -31.4492 43.5053 -32.1314 -56.5076 TIMING: 2867400 CPU: 8553.25, 0.00303064/step Wall: 8553.25, 0.00303064/step, 1.79532 hours remaining, 207.843750 MB of memory in use. ENERGY: 2867400 742.5488 2139.5613 1955.5123 115.0381 -206679.3070 18191.9573 0.0000 0.0000 34377.5564 -149157.1328 300.2278 -183534.6892 -149065.0020 299.5510 164.8883 198.4920 558436.2476 -6.4003 -6.3345 PRESSURE: 2867600 -67.6425 13.7069 150.979 13.7063 -250.937 70.4737 150.979 70.4738 -162.848 GPRESSURE: 2867600 -16.2925 28.9646 171.2 36.0291 -209.64 51.8907 165.291 63.7063 -154.455 PRESSAVG: 2867600 55.48 -6.97023 66.2647 -6.97036 6.95781 52.1213 66.2647 52.1212 -24.0554 GPRESSAVG: 2867600 56.084 -6.92185 67.9214 -8.48938 7.36637 51.0196 64.4618 51.1024 -25.2299 TIMING: 2867600 CPU: 8553.85, 0.00302345/step Wall: 8553.85, 0.00302345/step, 1.79089 hours remaining, 207.843750 MB of memory in use. ENERGY: 2867600 770.7441 2055.1490 1940.8648 105.5207 -205691.5979 17563.9139 0.0000 0.0000 34205.5875 -149049.8178 298.7259 -183255.4053 -148954.6176 299.9957 -160.4761 -126.7958 558919.9420 12.7941 12.7402 PRESSURE: 2867800 70.9565 106.171 52.084 106.172 -260.143 11.1755 52.0845 11.1765 -206.895 GPRESSURE: 2867800 61.5605 119.106 107.277 28.1492 -148.691 61.432 95.6567 38.3547 -196.982 PRESSAVG: 2867800 54.5335 61.0317 26.4645 61.0316 7.7151 21.4445 26.4645 21.4444 -85.5172 GPRESSAVG: 2867800 52.784 61.4471 26.7164 61.6897 8.34899 22.6814 26.8856 21.7771 -84.5802 TIMING: 2867800 CPU: 8554.46, 0.0030199/step Wall: 8554.46, 0.0030199/step, 1.78862 hours remaining, 207.843750 MB of memory in use. ENERGY: 2867800 806.2056 2067.3455 1928.5795 119.7557 -205769.6511 17669.5586 0.0000 0.0000 34040.8743 -149137.3318 297.2874 -183178.2061 -149041.0539 299.8852 -132.0273 -94.7041 559281.4296 -7.7562 -7.8157 PRESSURE: 2868000 79.2647 80.8975 -21.1087 80.8988 -142.941 95.2068 -21.1087 95.2097 171.496 GPRESSURE: 2868000 130.001 94.4236 -58.7522 146.759 -178.538 161.839 -41.8957 -21.7382 234.221 PRESSAVG: 2868000 56.5338 27.848 49.5813 27.848 -35.2784 -1.03278 49.5814 -1.03267 27.2874 GPRESSAVG: 2868000 57.2067 27.3002 50.0531 28.2613 -36.4381 -1.22479 49.1623 -0.77198 27.6757 TIMING: 2868000 CPU: 8555.06, 0.0030209/step Wall: 8555.06, 0.0030209/step, 1.78905 hours remaining, 207.843750 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: 2868000 753.7667 2102.5544 1953.8791 107.4683 -206468.2493 17917.8752 0.0000 0.0000 34370.5745 -149262.1311 300.1668 -183632.7056 -149170.3250 298.7648 35.9398 61.8947 557421.0564 16.1809 16.1481 PRESSURE: 2868200 -286.521 -87.0702 -64.8115 -87.0712 -366.726 83.0526 -64.8117 83.0511 31.4157 GPRESSURE: 2868200 -256.373 -59.1331 -68.3067 11.751 -318.547 25.6676 -7.38462 77.4014 46.9333 PRESSAVG: 2868200 -17.0906 -4.75177 3.20016 -4.75178 40.7291 -16.0178 3.20021 -16.0178 35.0887 GPRESSAVG: 2868200 -16.8596 -3.19543 4.18314 -3.94174 41.6462 -14.5746 1.94875 -17.7545 33.7587 TIMING: 2868200 CPU: 8555.67, 0.00304595/step Wall: 8555.67, 0.00304595/step, 1.80371 hours remaining, 207.843750 MB of memory in use. ENERGY: 2868200 772.3936 2091.3086 1947.2341 115.1627 -205739.2230 17432.8385 0.0000 0.0000 34181.3698 -149198.9156 298.5144 -183380.2854 -149105.3852 299.0938 -207.2770 -175.9958 557878.3959 19.5757 19.5151 LDB: ============= START OF LOAD BALANCING ============== 8559.11 LDB: ============== END OF LOAD BALANCING =============== 8559.11 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8559.11 LDB: ============= START OF LOAD BALANCING ============== 8559.41 LDB: Largest compute 4821 load 0.028053 is 23.8% of average load 0.118051 LDB: Average compute 0.001741 is 1.5% of average load 0.118051 LDB: TIME 8559.42 LOAD: AVG 0.118051 MAX 0.211385 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.734 MB LDB: TIME 8559.42 LOAD: AVG 0.118051 MAX 0.211385 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.734 MB LDB: TIME 8559.42 LOAD: AVG 0.118051 MAX 0.211385 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.734 MB LDB: ============== END OF LOAD BALANCING =============== 8559.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8559.42 PRESSURE: 2868400 -159.99 137.679 124.373 137.679 169.437 2.75569 124.373 2.75322 89.679 GPRESSURE: 2868400 -148.863 87.9304 66.3011 124.59 216.671 47.8373 207.191 119.453 126.101 PRESSAVG: 2868400 2.50035 -20.1798 33.4358 -20.1799 -8.99917 -36.6585 33.4358 -36.6583 21.4549 GPRESSAVG: 2868400 1.72531 -21.8121 31.2795 -19.9787 -7.81058 -38.6597 34.6911 -36.1792 21.1124 TIMING: 2868400 CPU: 8556.29, 0.00310633/step Wall: 8556.29, 0.00310633/step, 1.83929 hours remaining, 205.941406 MB of memory in use. ENERGY: 2868400 764.2279 2032.9546 1954.2746 110.7405 -206035.1108 17899.2733 0.0000 0.0000 34154.7326 -149118.9072 298.2818 -183273.6398 -149027.0080 299.2035 33.0420 64.6363 558165.2036 4.9853 5.0091 PRESSURE: 2868600 -3.37311 7.69307 -1.60831 7.69313 -307.188 -2.5725 -1.60677 -2.57226 287.49 GPRESSURE: 2868600 32.7804 -6.6809 -83.2985 2.75187 -284.213 -79.1045 -14.5153 -25.2698 330.264 PRESSAVG: 2868600 10.3915 41.6724 -2.70042 41.6724 28.2978 -23.2082 -2.70034 -23.2084 4.78222 GPRESSAVG: 2868600 9.75961 40.2937 -4.73683 41.2483 27.7226 -22.2671 -2.4828 -21.8729 5.63316 TIMING: 2868600 CPU: 8556.9, 0.00304952/step Wall: 8556.9, 0.00304952/step, 1.80549 hours remaining, 205.941406 MB of memory in use. ENERGY: 2868600 760.0195 2110.9187 1930.4087 109.5709 -206025.5765 17712.1032 0.0000 0.0000 34259.2637 -149143.2917 299.1947 -183402.5555 -149047.9776 299.5029 -7.6904 26.2771 557657.8867 14.4905 14.3718 PRESSURE: 2868800 -109.524 190.58 -0.587052 190.582 12.0866 -102.058 -0.585958 -102.057 -120.359 GPRESSURE: 2868800 -38.2401 137.075 -66.8032 157.461 30.9672 -120.187 53.6064 -121.979 -114.004 PRESSAVG: 2868800 -27.1512 68.3109 -11.3862 68.3109 -8.44215 -28.4017 -11.3861 -28.4017 -4.20323 GPRESSAVG: 2868800 -24.8816 70.9708 -11.258 67.2412 -11.0123 -27.934 -11.4235 -29.8427 -3.83586 TIMING: 2868800 CPU: 8557.51, 0.00301599/step Wall: 8557.51, 0.00301599/step, 1.78547 hours remaining, 205.941406 MB of memory in use. ENERGY: 2868800 756.3490 2136.1297 1957.3051 111.6451 -206170.2757 17825.9487 0.0000 0.0000 34356.6395 -149026.2587 300.0451 -183382.8982 -148927.6839 299.9627 -72.5990 -40.4255 557528.8662 -13.2655 -13.2433 PRESSURE: 2869000 -58.8432 37.9313 -84.5556 37.9306 101.71 31.6943 -84.5557 31.6955 -92.2951 GPRESSURE: 2869000 -12.2949 45.3073 -128.277 45.3694 142.493 90.1024 -127.21 -10.5328 -93.3136 PRESSAVG: 2869000 -43.6434 14.6939 -71.6868 14.6938 71.6406 41.0142 -71.6868 41.0142 -57.1486 GPRESSAVG: 2869000 -43.5581 11.9647 -70.1535 16.9549 72.1177 39.0345 -70.7914 43.0273 -57.9406 TIMING: 2869000 CPU: 8558.11, 0.00302501/step Wall: 8558.11, 0.00302501/step, 1.79064 hours remaining, 205.941406 MB of memory in use. ENERGY: 2869000 765.7794 2042.8646 1945.6927 129.9368 -206174.2765 17753.4651 0.0000 0.0000 34368.6735 -149167.8644 300.1502 -183536.5378 -149070.1630 299.8772 -16.4760 12.2949 556327.3021 -9.7171 -9.7937 PRESSURE: 2869200 -13.776 -76.3295 97.1191 -76.3299 -123.975 -65.5809 97.1197 -65.5805 43.4756 GPRESSURE: 2869200 49.6827 -68.4377 57.9234 -12.2726 -93.8468 -38.8617 92.3888 -103.027 48.1213 PRESSAVG: 2869200 1.87996 71.0065 16.3307 71.0065 93.7518 54.6431 16.3307 54.6432 -55.584 GPRESSAVG: 2869200 1.30194 73.7662 17.1102 68.6148 94.871 56.0754 14.7512 53.2052 -55.3887 TIMING: 2869200 CPU: 8558.72, 0.00303693/step Wall: 8558.72, 0.00303693/step, 1.79753 hours remaining, 205.941406 MB of memory in use. ENERGY: 2869200 779.1970 2033.7754 1949.3725 112.4809 -206272.7234 17749.1424 0.0000 0.0000 34207.2397 -149441.5155 298.7403 -183648.7551 -149341.1524 299.3669 -31.4250 1.3191 555818.7880 13.3493 13.5947 PRESSURE: 2869400 -372.083 166.211 -61.3574 166.211 -181.533 1.37845 -61.3589 1.37819 -37.2035 GPRESSURE: 2869400 -350.022 184.821 -35.9658 191.138 -143.501 44.4511 -52.2882 -79.2677 -1.35445 PRESSAVG: 2869400 -9.18821 46.6487 13.9828 46.6487 12.0073 62.947 13.9828 62.9471 -18.4899 GPRESSAVG: 2869400 -8.78018 45.0146 11.25 47.6954 12.1535 63.1125 14.9503 63.3066 -19.081 TIMING: 2869400 CPU: 8559.32, 0.00302136/step Wall: 8559.32, 0.00302136/step, 1.78814 hours remaining, 205.941406 MB of memory in use. ENERGY: 2869400 733.8806 2192.9406 1940.1410 119.7577 -206255.1222 17735.4554 0.0000 0.0000 34249.2637 -149283.6831 299.1073 -183532.9468 -149182.5033 298.4896 -196.9397 -164.9590 558885.8152 -5.2236 -5.2359 PRESSURE: 2869600 22.9728 193.288 -57.8052 193.288 168.315 170.322 -57.8045 170.321 -82.2925 GPRESSURE: 2869600 -20.6837 146.324 -47.1544 175.799 209.011 134.355 -50.9138 177.132 24.8268 PRESSAVG: 2869600 -30.8401 18.6801 38.5009 18.6801 38.1097 15.9064 38.5009 15.9064 -26.6793 GPRESSAVG: 2869600 -31.329 19.8969 40.2553 17.6475 38.6196 15.3669 39.4631 17.2992 -26.4693 TIMING: 2869600 CPU: 8559.93, 0.00303547/step Wall: 8559.93, 0.00303547/step, 1.79632 hours remaining, 205.941406 MB of memory in use. ENERGY: 2869600 747.9921 2119.8361 1957.0550 95.0519 -206302.6112 17947.5304 0.0000 0.0000 34176.0873 -149259.0583 298.4683 -183435.1456 -149161.1313 298.5226 36.3319 71.0513 557093.6362 -6.4699 -6.3929 PRESSURE: 2869800 -7.99724 91.4269 153.101 91.4276 49.7686 23.9432 153.1 23.9426 -83.0432 GPRESSURE: 2869800 19.5473 100.517 107.661 29.778 92.4063 49.5475 155.522 58.0213 -56.0704 PRESSAVG: 2869800 -50.0898 -8.54671 33.207 -8.54682 48.3072 54.9768 33.207 54.9767 12.9044 GPRESSAVG: 2869800 -49.2456 -11.3328 33.8761 -7.2495 48.0062 55.7662 33.758 54.0098 13.0379 TIMING: 2869800 CPU: 8560.53, 0.0030263/step Wall: 8560.53, 0.0030263/step, 1.79073 hours remaining, 205.941406 MB of memory in use. ENERGY: 2869800 739.4107 2081.6037 1969.6537 111.4751 -205862.6497 17671.8639 0.0000 0.0000 34285.6166 -149003.0259 299.4248 -183288.6426 -148901.3545 300.0318 -13.7573 18.6277 557293.6335 3.7073 3.9328 PRESSURE: 2870000 16.4191 -92.1288 4.47398 -92.1293 -227.586 108.501 4.47441 108.502 -286.903 GPRESSURE: 2870000 28.5472 36.0304 -36.6422 -172.603 -156.904 90.9051 28.2592 20.767 -272.278 PRESSAVG: 2870000 21.8392 27.2061 -54.3511 27.2061 1.48511 -32.2711 -54.351 -32.271 -15.1176 GPRESSAVG: 2870000 20.6125 31.46 -53.2941 24.7639 2.59894 -31.8546 -56.0037 -33.528 -14.8665 TIMING: 2870000 CPU: 8561.13, 0.00299753/step Wall: 8561.13, 0.00299753/step, 1.77354 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: 2870000 764.2438 2073.4337 1935.3100 107.7971 -205772.3310 17477.3730 0.0000 0.0000 34504.8163 -148909.3571 301.3391 -183414.1734 -148809.4424 300.3681 -166.0233 -133.5447 557404.8289 2.7356 2.7817 PRESSURE: 2870200 -101.52 -86.7275 270.417 -86.7276 -50.2667 125.141 270.416 125.141 110.411 GPRESSURE: 2870200 -36.6333 -138.843 275.891 -83.8972 -17.6518 29.9611 151.671 160.747 124.148 PRESSAVG: 2870200 7.78777 15.2757 19.572 15.2758 15.0072 8.57084 19.572 8.57079 -8.28197 GPRESSAVG: 2870200 9.54225 12.9134 18.4807 14.7946 12.9369 5.95698 19.8054 11.3839 -8.84697 TIMING: 2870200 CPU: 8561.74, 0.00301296/step Wall: 8561.74, 0.00301296/step, 1.7825 hours remaining, 205.941406 MB of memory in use. ENERGY: 2870200 748.0527 2075.6198 1967.6426 112.4954 -206027.3353 17710.9511 0.0000 0.0000 34375.7133 -149036.8605 300.2117 -183412.5738 -148943.0859 300.6092 -13.7920 23.2877 555869.1950 4.8377 4.5441 PRESSURE: 2870400 0.211361 -95.2969 118.376 -95.298 159.304 -244.015 118.377 -244.016 -41.0167 GPRESSURE: 2870400 103.442 -18.1505 38.5127 -158.081 150.072 -150.701 202.625 -245.307 -42.2265 PRESSAVG: 2870400 -34.4422 -37.217 51.2997 -37.217 32.676 -1.21494 51.2997 -1.21489 -59.8445 GPRESSAVG: 2870400 -35.3342 -37.8003 50.2445 -34.1512 32.7198 -0.0217878 52.2184 -1.45887 -58.8634 TIMING: 2870400 CPU: 8562.34, 0.00300969/step Wall: 8562.34, 0.00300969/step, 1.7804 hours remaining, 205.941406 MB of memory in use. ENERGY: 2870400 790.6165 2073.6847 1926.2134 117.9934 -205988.8981 17863.6380 0.0000 0.0000 34282.6119 -148934.1403 299.3986 -183216.7523 -148836.1569 299.4636 39.4996 70.4291 557604.4343 -20.5369 -20.4926 PRESSURE: 2870600 -56.7567 24.3906 109.434 24.3901 -26.6171 -128.606 109.434 -128.606 -11.7101 GPRESSURE: 2870600 -36.8402 -3.58032 123.262 34.6578 -41.9364 -173.118 80.2698 -162.352 63.0833 PRESSAVG: 2870600 44.6157 -36.0979 -35.8543 -36.0979 1.9666 -40.758 -35.8542 -40.7581 -53.5279 GPRESSAVG: 2870600 44.1353 -34.335 -36.5756 -38.1083 2.81419 -41.4117 -34.6013 -41.9691 -54.1201 TIMING: 2870600 CPU: 8562.94, 0.00301664/step Wall: 8562.94, 0.00301664/step, 1.78434 hours remaining, 205.941406 MB of memory in use. ENERGY: 2870600 749.1999 2090.2085 1978.1109 120.5296 -206063.6378 17808.4283 0.0000 0.0000 34149.2190 -149167.9417 298.2336 -183317.1607 -149074.1571 299.2737 -31.6946 -5.2311 558821.8174 -2.3152 -2.3902 PRESSURE: 2870800 -99.8039 25.9653 -108.926 25.9666 -2.68225 -23.5874 -108.925 -23.5867 -33.1261 GPRESSURE: 2870800 -37.3377 -73.6936 -85.545 97.3702 -45.1771 -145.149 -152.675 56.946 48.2169 PRESSAVG: 2870800 -75.5191 -32.7062 -2.14205 -32.7061 31.5866 -3.5636 -2.14205 -3.5635 42.2445 GPRESSAVG: 2870800 -75.004 -33.094 -0.136007 -30.7807 31.7374 -4.2222 -5.0357 -2.28176 41.7401 TIMING: 2870800 CPU: 8563.55, 0.00301613/step Wall: 8563.55, 0.00301613/step, 1.78388 hours remaining, 205.941406 MB of memory in use. ENERGY: 2870800 754.8982 2114.1449 1969.3948 113.3746 -206234.4192 17826.8172 0.0000 0.0000 34164.1388 -149291.6507 298.3639 -183455.7895 -149198.3046 298.9101 -45.2041 -11.4326 558530.8680 -0.5627 -0.5089 PRESSURE: 2871000 84.586 -54.6763 -204.565 -54.6757 -188.102 29.7844 -204.565 29.7835 71.2769 GPRESSURE: 2871000 139.338 -92.5602 -138.952 -111.825 -128.878 54.56 -182.508 13.5392 57.0365 PRESSAVG: 2871000 -38.6402 -39.3402 -15.6037 -39.3401 -4.01488 -32.4591 -15.6038 -32.4591 64.9933 GPRESSAVG: 2871000 -38.8289 -39.9213 -14.9899 -41.9064 -4.49946 -30.5264 -15.7743 -34.4211 65.6939 TIMING: 2871000 CPU: 8564.15, 0.00300051/step Wall: 8564.15, 0.00300051/step, 1.77447 hours remaining, 205.941406 MB of memory in use. ENERGY: 2871000 736.5242 2066.0813 1962.4999 112.9643 -206195.1507 17730.8390 0.0000 0.0000 34368.5118 -149217.7302 300.1488 -183586.2420 -149119.5667 298.9562 -10.7464 22.4989 557639.1308 7.4461 7.4552 PRESSURE: 2871200 -102.058 -111.445 10.0342 -111.445 -91.6266 -58.9464 10.0345 -58.9461 216.235 GPRESSURE: 2871200 -69.4 -165.044 30.037 1.30938 -79.3213 -72.095 -111.919 -87.78 264.017 PRESSAVG: 2871200 -5.02303 -20.4919 1.05249 -20.492 40.6376 -9.94981 1.05239 -9.94982 -39.303 GPRESSAVG: 2871200 -4.75656 -21.2862 0.0779917 -16.4601 40.3346 -10.3925 0.352998 -10.1119 -39.5396 TIMING: 2871200 CPU: 8564.76, 0.00304941/step Wall: 8564.76, 0.00304941/step, 1.80322 hours remaining, 205.941406 MB of memory in use. ENERGY: 2871200 770.1537 2103.3079 1950.1628 107.6617 -206239.1723 17712.5127 0.0000 0.0000 34251.9512 -149343.4223 299.1308 -183595.3735 -149249.9556 299.4831 7.5169 38.4318 555705.5081 -1.2295 -1.3205 PRESSURE: 2871400 -130.802 -153.276 51.2811 -153.278 158.749 -63.6336 51.2809 -63.6342 -73.3885 GPRESSURE: 2871400 -101.974 -81.2917 -19.4564 -321.857 183.618 -40.1967 148.697 -83.5473 -37.0432 PRESSAVG: 2871400 -32.5081 15.5866 -32.6714 15.5866 42.2926 -11.4046 -32.6714 -11.4046 -55.8639 GPRESSAVG: 2871400 -32.4447 16.0366 -32.528 14.5335 42.9794 -9.79726 -30.6692 -11.065 -56.1683 TIMING: 2871400 CPU: 8565.36, 0.0030325/step Wall: 8565.36, 0.0030325/step, 1.79305 hours remaining, 205.941406 MB of memory in use. ENERGY: 2871400 784.6289 2036.9869 1964.5192 112.9815 -206650.5316 17942.3275 0.0000 0.0000 34365.3181 -149443.7695 300.1209 -183809.0876 -149351.7536 298.7955 -15.1472 14.8667 556985.6660 -15.3598 -15.2112 PRESSURE: 2871600 -55.339 114.664 56.6983 114.663 46.5401 -31.8833 56.6982 -31.8826 29.9905 GPRESSURE: 2871600 5.77469 133.672 37.8489 61.2172 47.3354 -6.14345 8.42246 -46.5836 81.0604 PRESSAVG: 2871600 -34.1311 13.5918 -50.7801 13.5918 18.8865 -55.2437 -50.7802 -55.2438 41.2556 GPRESSAVG: 2871600 -33.9623 14.3032 -48.8507 12.9299 19.2748 -57.8416 -51.4985 -55.2871 40.8248 TIMING: 2871600 CPU: 8565.96, 0.00300344/step Wall: 8565.96, 0.00300344/step, 1.7757 hours remaining, 205.941406 MB of memory in use. ENERGY: 2871600 741.6912 2074.7181 1968.1925 128.6462 -206842.9051 18022.3127 0.0000 0.0000 34493.6603 -149413.6840 301.2417 -183907.3444 -149325.1146 299.4467 7.0639 44.7235 556254.2128 8.6703 8.7125 PRESSURE: 2871800 -193.403 -104.219 -155.121 -104.219 -74.2073 20.3468 -155.121 20.3493 217.619 GPRESSURE: 2871800 -118.444 -48.6428 -91.1596 -33.777 -22.5284 38.8837 -211.92 79.0222 187.115 PRESSAVG: 2871800 -52.4388 -17.5814 -29.0276 -17.5814 5.23524 -14.4872 -29.0276 -14.4872 43.1418 GPRESSAVG: 2871800 -52.9449 -16.0244 -30.4517 -18.3997 4.785 -12.8019 -29.9099 -12.7131 43.8822 TIMING: 2871800 CPU: 8566.57, 0.00302968/step Wall: 8566.57, 0.00302968/step, 1.79105 hours remaining, 205.941406 MB of memory in use. ENERGY: 2871800 765.4452 2035.4568 1949.9589 115.3867 -206771.5552 18106.4419 0.0000 0.0000 34244.0409 -149554.8249 299.0617 -183798.8657 -149456.8879 299.4170 -16.6637 15.3807 558401.5220 -1.3539 -1.4259 PRESSURE: 2872000 -172.285 109.992 -204.977 109.991 -120.098 -15.0884 -204.978 -15.089 45.7272 GPRESSURE: 2872000 -156.037 104.966 -149.378 74.8555 -68.9484 -28.1517 -207.016 53.4808 57.8827 PRESSAVG: 2872000 -17.8124 -4.73277 -48.7983 -4.73285 -32.1099 4.95371 -48.7982 4.95363 -5.76067 GPRESSAVG: 2872000 -17.9098 -6.57041 -48.4396 -4.9081 -30.9797 6.06644 -47.6382 2.34749 -6.91619 TIMING: 2872000 CPU: 8567.17, 0.00299991/step Wall: 8567.17, 0.00299991/step, 1.77328 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: 2872000 738.1684 2067.6801 1953.2792 113.5998 -206098.9540 17756.0679 0.0000 0.0000 33919.2944 -149550.8643 296.2256 -183470.1587 -149450.9557 298.0948 -82.2183 -55.7008 558664.5895 -18.5610 -18.6019 PRESSURE: 2872200 -25.0269 -2.18811 46.2749 -2.18822 -147.231 -188.969 46.2734 -188.97 -222.122 GPRESSURE: 2872200 -39.83 -10.0913 70.8063 -52.0305 -144.517 -180.695 21.1246 -208.713 -115.845 PRESSAVG: 2872200 -8.73033 -1.69598 -32.2564 -1.69596 54.5787 -35.3511 -32.2565 -35.3511 -43.182 GPRESSAVG: 2872200 -10.0264 -1.3695 -31.0948 -0.869789 54.3125 -36.5595 -33.425 -33.9721 -42.0852 TIMING: 2872200 CPU: 8567.77, 0.00300588/step Wall: 8567.77, 0.00300588/step, 1.77664 hours remaining, 205.941406 MB of memory in use. ENERGY: 2872200 791.0874 2077.4761 1986.2533 123.8885 -206462.4291 17783.6108 0.0000 0.0000 34169.1693 -149530.9438 298.4079 -183700.1130 -149430.7068 298.9512 -131.4601 -100.0642 557010.4742 0.8888 0.7336 LDB: ============= START OF LOAD BALANCING ============== 8571.2 LDB: ============== END OF LOAD BALANCING =============== 8571.2 LDB: =============== DONE WITH MIGRATION ================ 8571.21 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 8571.51 LDB: Largest compute 4819 load 0.029980 is 25.4% of average load 0.118031 LDB: Average compute 0.001742 is 1.5% of average load 0.118031 LDB: TIME 8571.51 LOAD: AVG 0.118031 MAX 0.212723 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 8571.51 LOAD: AVG 0.118031 MAX 0.212723 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 8571.51 LOAD: AVG 0.118031 MAX 0.212723 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: ============== END OF LOAD BALANCING =============== 8571.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8571.52 PRESSURE: 2872400 80.2136 -78.8247 46.8764 -78.8243 -97.4162 -4.59872 46.8777 -4.59841 -72.1599 GPRESSURE: 2872400 59.1691 -194.168 42.8799 -26.7784 -9.12572 -7.84299 -8.77808 -58.9989 -53.494 PRESSAVG: 2872400 62.3625 -28.8101 24.3765 -28.8099 -35.1866 -44.8786 24.3764 -44.8787 -63.8881 GPRESSAVG: 2872400 64.3478 -28.3436 23.2666 -30.2882 -36.4556 -46.0973 24.6937 -45.0396 -64.603 TIMING: 2872400 CPU: 8568.39, 0.00310316/step Wall: 8568.39, 0.00310316/step, 1.83397 hours remaining, 204.917969 MB of memory in use. ENERGY: 2872400 724.6979 2088.5362 1955.5965 103.0245 -206470.3290 17746.8551 0.0000 0.0000 34244.2055 -149607.4132 299.0632 -183851.6187 -149508.8754 298.6951 -29.7875 -1.1502 557497.6727 -12.2374 -12.2370 PRESSURE: 2872600 72.3334 120.661 14.8061 120.659 165.251 -51.8927 14.8046 -51.8947 183.283 GPRESSURE: 2872600 95.8206 135.143 19.9146 48.7649 273.216 53.3429 -65.932 -12.6679 141.929 PRESSAVG: 2872600 -7.21442 80.3998 2.33061 80.3998 60.3623 -81.1466 2.3307 -81.1467 -86.2086 GPRESSAVG: 2872600 -6.73149 80.8799 2.16598 82.6133 59.0908 -80.6281 3.12052 -80.6619 -85.843 TIMING: 2872600 CPU: 8568.99, 0.00302353/step Wall: 8568.99, 0.00302353/step, 1.78674 hours remaining, 204.917969 MB of memory in use. ENERGY: 2872600 764.8359 2073.7657 1937.9181 102.2335 -206674.3768 18064.1785 0.0000 0.0000 34112.9903 -149618.4548 297.9172 -183731.4452 -149521.8339 298.6341 140.2894 170.3218 557493.6486 -11.0202 -11.1612 PRESSURE: 2872800 -61.9914 -99.2373 -18.038 -99.2369 33.4474 171.954 -18.0377 171.955 94.4902 GPRESSURE: 2872800 -6.446 -91.0848 22.8164 -90.1691 68.101 129.476 16.827 217.499 101.473 PRESSAVG: 2872800 39.6198 -5.12162 35.5939 -5.12156 -41.5269 26.486 35.594 26.486 -17.3749 GPRESSAVG: 2872800 38.034 -4.40141 35.183 -5.8504 -41.259 26.6558 35.8681 24.2695 -16.3945 TIMING: 2872800 CPU: 8569.6, 0.00301629/step Wall: 8569.6, 0.00301629/step, 1.78229 hours remaining, 204.917969 MB of memory in use. ENERGY: 2872800 770.1460 2081.9189 1928.6806 121.9654 -206600.9702 17997.7017 0.0000 0.0000 34119.4752 -149581.0825 297.9739 -183700.5577 -149485.3833 298.1590 21.9821 54.3759 556416.9021 -6.4273 -6.5398 PRESSURE: 2873000 -102.41 66.1272 47.6271 66.1275 -51.8431 1.9123 47.6262 1.91085 -192.082 GPRESSURE: 2873000 -31.1529 -33.9003 55.6384 46.7556 -17.1035 -11.1186 35.5066 64.9207 -183.129 PRESSAVG: 2873000 -12.6022 10.709 6.05594 10.709 -8.12375 58.1247 6.05584 58.1248 41.4205 GPRESSAVG: 2873000 -12.8371 9.33785 8.08876 9.56539 -7.1543 56.2084 5.32001 59.9826 40.7627 TIMING: 2873000 CPU: 8570.2, 0.0030343/step Wall: 8570.2, 0.0030343/step, 1.79276 hours remaining, 204.917969 MB of memory in use. ENERGY: 2873000 789.9576 2086.3036 1959.0136 109.7560 -206532.7752 17869.2613 0.0000 0.0000 34211.3771 -149507.1058 298.7765 -183718.4829 -149410.4327 298.6283 -115.4451 -77.1286 558195.2019 6.8982 6.9237 PRESSURE: 2873200 135.24 5.81312 -2.93094 5.81322 105.272 -174.293 -2.93081 -174.293 180.556 GPRESSURE: 2873200 197.951 -6.29067 -100.58 44.688 141.495 -240.571 30.5375 -216.695 175.067 PRESSAVG: 2873200 11.383 28.7149 -1.76845 28.7149 25.5058 -19.4532 -1.76846 -19.4533 -60.6241 GPRESSAVG: 2873200 13.007 28.2454 -2.84472 30.9054 25.3419 -16.2838 -0.941187 -19.4267 -62.1247 TIMING: 2873200 CPU: 8570.81, 0.00303865/step Wall: 8570.81, 0.00303865/step, 1.79517 hours remaining, 204.917969 MB of memory in use. ENERGY: 2873200 730.4161 2088.4516 1950.9807 124.2812 -206822.7655 18173.8931 0.0000 0.0000 34078.0761 -149676.6667 297.6123 -183754.7429 -149585.0767 298.4327 140.3562 171.5046 556254.1961 -7.9118 -7.9253 PRESSURE: 2873400 154.292 -31.6233 11.4411 -31.6228 -151.929 -51.0002 11.4424 -51.0013 -196.519 GPRESSURE: 2873400 223.094 -33.8581 -28.2748 -93.9896 -92.6899 -63.1546 -10.3116 -109.721 -215.473 PRESSAVG: 2873400 74.8565 3.54212 -17.4836 3.54216 -34.7763 -40.9721 -17.4836 -40.972 -68.4928 GPRESSAVG: 2873400 72.951 3.4134 -18.4777 3.04518 -35.4374 -42.0202 -17.4461 -42.1268 -66.2754 TIMING: 2873400 CPU: 8571.42, 0.00302476/step Wall: 8571.42, 0.00302476/step, 1.7868 hours remaining, 204.917969 MB of memory in use. ENERGY: 2873400 750.6614 2061.4184 1955.4713 120.2267 -206720.2225 18031.5097 0.0000 0.0000 34060.0014 -149740.9338 297.4545 -183800.9352 -149638.7003 298.2586 -64.7186 -28.3563 558150.0730 -9.4709 -9.5873 PRESSURE: 2873600 -131.003 -192.131 43.1592 -192.131 143.487 132.266 43.1599 132.265 117.632 GPRESSURE: 2873600 -94.9311 -118.904 64.9746 -220.207 191.348 102.766 -10.5775 114.633 133.672 PRESSAVG: 2873600 -39.5268 -27.6621 59.0926 -27.6621 84.5999 -25.4063 59.0926 -25.4062 -21.071 GPRESSAVG: 2873600 -38.9596 -26.3625 61.4197 -28.5822 85.1134 -26.2103 56.1873 -24.6755 -22.0248 TIMING: 2873600 CPU: 8572.03, 0.00304039/step Wall: 8572.03, 0.00304039/step, 1.79586 hours remaining, 204.917969 MB of memory in use. ENERGY: 2873600 753.4256 2085.9452 1933.3310 122.4556 -206881.6358 18079.6121 0.0000 0.0000 34246.7325 -149660.1338 299.0852 -183906.8663 -149560.0202 298.6409 43.3720 76.6961 556243.4557 8.0007 8.0430 PRESSURE: 2873800 -89.299 164.584 97.782 164.583 3.68883 45.9467 97.7832 45.9481 168.492 GPRESSURE: 2873800 -82.3852 138.132 65.1016 99.1417 107.737 65.4479 130.637 18.1409 143.124 PRESSAVG: 2873800 -68.1205 -38.407 -16.9258 -38.407 58.4356 -37.2353 -16.9259 -37.2354 3.17853 GPRESSAVG: 2873800 -68.3481 -38.8174 -17.4549 -37.8365 58.4681 -37.9453 -16.1243 -37.0926 3.16977 TIMING: 2873800 CPU: 8572.64, 0.00305539/step Wall: 8572.64, 0.00305539/step, 1.80455 hours remaining, 204.917969 MB of memory in use. ENERGY: 2873800 754.8902 2019.0706 1939.7189 136.4807 -206508.9330 17873.4272 0.0000 0.0000 34357.1316 -149428.2137 300.0494 -183785.3452 -149327.0086 298.9088 27.6272 56.1586 556614.1126 -2.1688 -2.2367 PRESSURE: 2874000 -134.392 -42.8322 -87.0488 -42.8326 -142.248 29.9272 -87.0493 29.9277 -194.961 GPRESSURE: 2874000 -140.21 -35.1746 -87.3227 24.2633 -47.1448 79.1036 -96.3272 -9.32202 -185.889 PRESSAVG: 2874000 -2.19111 21.2874 -15.4339 21.2874 19.5591 63.5095 -15.4339 63.5095 -4.47036 GPRESSAVG: 2874000 -1.01264 22.084 -16.8052 20.7918 18.877 63.9449 -11.5531 63.9321 -4.52149 TIMING: 2874000 CPU: 8573.25, 0.00304599/step Wall: 8573.25, 0.00304599/step, 1.79882 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: 2874000 775.7936 2038.0058 1979.1168 121.0456 -206376.8058 17920.4029 0.0000 0.0000 34137.7105 -149404.7306 298.1331 -183542.4411 -149314.3742 298.7226 -157.2004 -124.4144 557474.8456 4.2992 4.4476 PRESSURE: 2874200 268.071 61.5604 31.1948 61.5599 92.9799 74.1628 31.1935 74.1632 117.404 GPRESSURE: 2874200 280.788 22.9064 64.1195 127.818 123.68 3.95495 84.5655 46.9261 192.695 PRESSAVG: 2874200 78.4367 -6.95369 46.3863 -6.9537 -19.1764 -33.3795 46.3863 -33.3795 -61.0011 GPRESSAVG: 2874200 78.6981 -8.98328 47.2517 -5.44259 -19.194 -33.0829 43.3164 -33.8916 -60.8428 TIMING: 2874200 CPU: 8573.86, 0.0030553/step Wall: 8573.86, 0.0030553/step, 1.80416 hours remaining, 204.917969 MB of memory in use. ENERGY: 2874200 738.5633 2027.5458 1948.2223 108.2237 -206804.7250 18283.7992 0.0000 0.0000 34315.1696 -149383.2012 299.6829 -183698.3708 -149290.6775 298.7475 159.4849 199.0541 557045.8690 -0.5803 -0.4462 PRESSURE: 2874400 -149.263 4.32057 -6.37119 4.32104 2.79646 -71.1571 -6.37205 -71.1596 -4.43071 GPRESSURE: 2874400 -90.9964 53.0379 53.7636 50.5477 36.5237 -57.1351 -50.807 -50.7872 -11.0748 PRESSAVG: 2874400 51.8302 -41.8641 46.8613 -41.8641 -6.63048 -12.3139 46.8613 -12.3139 -36.882 GPRESSAVG: 2874400 51.44 -40.2668 47.9511 -42.7264 -5.25235 -13.4137 48.4226 -11.7348 -37.7453 TIMING: 2874400 CPU: 8574.46, 0.00300846/step Wall: 8574.46, 0.00300846/step, 1.77633 hours remaining, 204.917969 MB of memory in use. ENERGY: 2874400 748.0277 2123.4887 1942.2628 110.2037 -206396.0856 17731.2390 0.0000 0.0000 34395.2940 -149345.5697 300.3827 -183740.8637 -149249.0348 299.2821 -50.2992 -21.8492 557106.0400 2.7726 2.8141 PRESSURE: 2874600 -152.292 -103.659 -168.485 -103.658 -318.189 -31.4238 -168.485 -31.4252 -36.9772 GPRESSURE: 2874600 -138.192 -120.94 -181.165 -87.7785 -304.317 -33.6082 -155.098 -97.4765 16.0122 PRESSAVG: 2874600 28.8548 -0.248477 11.7196 -0.248466 -7.31256 -41.077 11.7196 -41.0767 31.4043 GPRESSAVG: 2874600 28.351 -0.766104 11.3099 0.165264 -8.19809 -38.3929 9.34738 -43.444 32.2286 TIMING: 2874600 CPU: 8575.07, 0.00304446/step Wall: 8575.07, 0.00304446/step, 1.79741 hours remaining, 204.917969 MB of memory in use. ENERGY: 2874600 785.9035 2066.7127 1957.8990 115.0986 -206071.7689 17704.7714 0.0000 0.0000 34315.0501 -149126.3336 299.6819 -183441.3837 -149030.5852 299.5554 -169.1527 -142.1657 557956.4369 17.6488 17.4605 PRESSURE: 2874800 -121.112 64.916 -122.34 64.916 95.8723 -97.1166 -122.341 -97.117 -156.654 GPRESSURE: 2874800 -43.8158 37.8679 -82.7397 16.6416 71.7514 -137.797 -162.336 -15.6699 -120.358 PRESSAVG: 2874800 -37.4396 -23.5801 -57.4406 -23.58 36.3298 -23.5852 -57.4405 -23.5853 -5.0167 GPRESSAVG: 2874800 -38.5424 -22.5224 -56.9746 -24.1435 37.0264 -24.8223 -54.2919 -20.67 -4.66112 TIMING: 2874800 CPU: 8575.68, 0.00305046/step Wall: 8575.68, 0.00305046/step, 1.80079 hours remaining, 204.917969 MB of memory in use. ENERGY: 2874800 744.3138 2150.3233 1940.0416 109.5355 -206308.6914 17776.4349 0.0000 0.0000 34406.2626 -149181.7796 300.4784 -183588.0422 -149085.0090 299.7806 -60.6313 -30.8075 557425.9852 -2.0422 -2.0591 PRESSURE: 2875000 80.7752 -165.999 -75.0832 -166 -52.4441 2.3967 -75.0833 2.39644 -173.005 GPRESSURE: 2875000 94.3837 -144.544 -1.58284 -110.532 4.12884 63.235 -39.1623 5.81712 -141.479 PRESSAVG: 2875000 -25.6139 34.6145 -23.7221 34.6146 43.0902 -15.6229 -23.7219 -15.6229 -16.8654 GPRESSAVG: 2875000 -25.349 33.6238 -24.0469 35.4052 42.8862 -15.3543 -24.3066 -16.2114 -17.0357 TIMING: 2875000 CPU: 8576.29, 0.00303915/step Wall: 8576.29, 0.00303915/step, 1.79394 hours remaining, 204.917969 MB of memory in use. ENERGY: 2875000 745.4667 2088.8635 1937.9609 100.4465 -206194.9776 17703.5385 0.0000 0.0000 34432.3816 -149186.3197 300.7066 -183618.7013 -149087.9565 299.7148 -48.2247 -14.3220 557290.7933 0.2036 0.1671 PRESSURE: 2875200 109.626 -29.7796 42.1224 -29.7799 -92.4885 59.7736 42.1214 59.7742 -128.52 GPRESSURE: 2875200 71.1541 -43.6327 129.297 -25.682 -8.70507 57.1322 -24.1251 31.2773 -75.3457 PRESSAVG: 2875200 34.3305 -15.5111 -12.1313 -15.5111 44.5037 12.4273 -12.1313 12.4273 -30.2327 GPRESSAVG: 2875200 34.3146 -15.0485 -12.747 -17.7535 44.2925 12.2148 -12.3977 11.4554 -29.7725 TIMING: 2875200 CPU: 8576.9, 0.00306115/step Wall: 8576.9, 0.00306115/step, 1.80676 hours remaining, 204.917969 MB of memory in use. ENERGY: 2875200 775.1969 2069.7147 1932.5272 117.1441 -205957.0090 17846.2418 0.0000 0.0000 34257.6579 -148958.5264 299.1806 -183216.1843 -148857.0165 299.8335 -37.1272 -4.2989 558919.4640 16.2005 16.2782 PRESSURE: 2875400 57.1979 168.715 -130.021 168.715 -0.193996 -47.4199 -130.021 -47.4204 -136.638 GPRESSURE: 2875400 81.8483 158.509 -57.1801 197.138 1.39383 -25.647 -126.786 -68.8435 -60.4721 PRESSAVG: 2875400 -19.8392 19.779 19.4931 19.7791 37.6407 41.1383 19.4932 41.1383 -7.4624 GPRESSAVG: 2875400 -19.4526 18.9389 19.6014 21.9661 37.1333 40.4837 19.8528 42.7364 -6.68547 TIMING: 2875400 CPU: 8577.5, 0.00303192/step Wall: 8577.5, 0.00303192/step, 1.78934 hours remaining, 204.917969 MB of memory in use. ENERGY: 2875400 709.7417 2141.9874 1955.5404 101.9394 -205715.2053 17583.9706 0.0000 0.0000 34419.9484 -148802.0774 300.5980 -183222.0258 -148709.9043 300.2887 -26.5447 7.5900 558121.5265 3.4464 3.6651 PRESSURE: 2875600 -262.448 -25.5574 -47.3637 -25.5568 -248.854 63.2196 -47.364 63.2186 -44.6376 GPRESSURE: 2875600 -207.729 30.4941 -82.7572 23.0879 -235.82 126.08 -68.017 -42.3791 -12.298 PRESSAVG: 2875600 17.9115 70.7394 30.8018 70.7394 -24.4143 31.3529 30.8018 31.3529 -23.9393 GPRESSAVG: 2875600 19.0062 72.0697 30.282 68.4771 -24.8997 32.4804 30.9447 29.8881 -24.9886 TIMING: 2875600 CPU: 8578.11, 0.00302318/step Wall: 8578.11, 0.00302318/step, 1.78401 hours remaining, 204.917969 MB of memory in use. ENERGY: 2875600 741.7503 2077.8743 1941.6294 110.8383 -205475.4357 17407.1384 0.0000 0.0000 34413.9353 -148782.2697 300.5455 -183196.2051 -148687.0805 299.9918 -185.3133 -151.9490 557860.1522 -10.1474 -10.2940 PRESSURE: 2875800 -121.254 191.563 -24.056 191.564 372.009 -67.1208 -24.0553 -67.1203 145.064 GPRESSURE: 2875800 -90.1041 135.936 -50.9684 175.9 377.1 -83.9051 -25.4159 -26.2685 215.612 PRESSAVG: 2875800 41.639 47.3276 53.4773 47.3275 -70.7151 10.2039 53.4774 10.204 9.60697 GPRESSAVG: 2875800 41.8419 44.7287 54.1685 49.1826 -70.1356 9.77098 54.7343 11.8196 9.34636 TIMING: 2875800 CPU: 8578.71, 0.00302255/step Wall: 8578.71, 0.00302255/step, 1.78347 hours remaining, 204.917969 MB of memory in use. ENERGY: 2875800 777.4352 2101.3308 1952.0330 113.4099 -206431.0649 18079.8613 0.0000 0.0000 34316.6114 -149090.3835 299.6955 -183406.9949 -148988.0585 300.2564 131.9396 167.5360 557424.9627 -6.4897 -6.3158 PRESSURE: 2876000 -147.252 141.089 56.4419 141.09 38.9808 72.4682 56.4421 72.4671 -56.8689 GPRESSURE: 2876000 -129.115 127.97 -13.4677 192.699 93.719 61.1733 14.7701 34.6923 -34.995 PRESSAVG: 2876000 -8.1363 43.6387 18.1001 43.6386 26.6523 15.8095 18.1 15.8095 -6.12409 GPRESSAVG: 2876000 -8.38557 43.8355 19.7514 43.4558 26.3793 16.1671 16.4079 15.1226 -5.6793 TIMING: 2876000 CPU: 8579.32, 0.0030266/step Wall: 8579.32, 0.0030266/step, 1.78569 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: 2876000 764.9131 2086.5277 1923.9350 106.9861 -206049.5014 17727.9121 0.0000 0.0000 34368.4300 -149070.7975 300.1480 -183439.2275 -148975.4480 299.2392 -55.0467 -23.4635 557868.4403 4.1306 4.1048 PRESSURE: 2876200 -159.1 47.3907 -89.1031 47.3913 125.073 54.92 -89.1024 54.9196 -107.351 GPRESSURE: 2876200 -129.649 119.746 -64.2001 35.0654 141.465 -105.435 -129.586 221.058 -43.9355 PRESSAVG: 2876200 -25.134 -10.0948 16.4345 -10.0949 14.8816 -6.69201 16.4344 -6.69205 3.29341 GPRESSAVG: 2876200 -24.6451 -8.56429 16.0136 -8.12425 15.3245 -6.19378 15.0262 -6.17336 2.98601 TIMING: 2876200 CPU: 8579.92, 0.0029967/step Wall: 8579.92, 0.0029967/step, 1.76788 hours remaining, 204.917969 MB of memory in use. ENERGY: 2876200 752.4976 2095.6251 1955.6460 118.9065 -205987.4289 17794.2037 0.0000 0.0000 34399.6611 -148870.8889 300.4208 -183270.5500 -148778.0000 300.0833 -47.1263 -10.7065 557965.7822 -2.3197 -2.1115 LDB: ============= START OF LOAD BALANCING ============== 8583.35 LDB: ============== END OF LOAD BALANCING =============== 8583.35 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8583.35 LDB: ============= START OF LOAD BALANCING ============== 8583.65 LDB: Largest compute 4819 load 0.029066 is 24.6% of average load 0.118044 LDB: Average compute 0.001740 is 1.5% of average load 0.118044 LDB: TIME 8583.65 LOAD: AVG 0.118044 MAX 0.209603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 8583.65 LOAD: AVG 0.118044 MAX 0.209603 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.422 MB LDB: TIME 8583.65 LOAD: AVG 0.118044 MAX 0.209603 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.422 MB LDB: ============== END OF LOAD BALANCING =============== 8583.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8583.66 PRESSURE: 2876400 222.112 31.5406 27.4696 31.5415 62.0399 -48.8594 27.4698 -48.858 -19.8887 GPRESSURE: 2876400 260.36 90.6198 -38.7071 -43.4988 102.447 -43.9307 40.9074 -46.4626 22.792 PRESSAVG: 2876400 59.2192 -28.9078 25.8368 -28.9078 -15.2643 -4.72963 25.8368 -4.72955 -49.9269 GPRESSAVG: 2876400 59.1357 -29.4325 24.3239 -30.9091 -14.9816 -5.18122 26.0837 -4.22774 -49.8394 TIMING: 2876400 CPU: 8580.53, 0.00305323/step Wall: 8580.53, 0.00305323/step, 1.80106 hours remaining, 206.710938 MB of memory in use. ENERGY: 2876400 757.9904 2134.8110 1960.1692 122.0534 -206212.3914 17849.0828 0.0000 0.0000 34409.9205 -148978.3641 300.5104 -183388.2846 -148880.9014 300.9627 88.0879 128.5327 557122.1915 -1.9907 -1.8951 PRESSURE: 2876600 167.597 86.4308 -190.402 86.4307 207.087 118.062 -190.401 118.06 20.829 GPRESSURE: 2876600 178.992 78.2135 -213.463 78.2844 223.427 82.8352 -121.66 159.875 86.4459 PRESSAVG: 2876600 77.5312 -4.46571 -39.9269 -4.46567 32.8544 53.7674 -39.9268 53.7675 -58.757 GPRESSAVG: 2876600 76.5084 -5.8456 -41.6566 -2.70381 33.4724 52.2011 -38.064 53.501 -58.1167 TIMING: 2876600 CPU: 8581.12, 0.0029817/step Wall: 8581.12, 0.0029817/step, 1.7587 hours remaining, 206.710938 MB of memory in use. ENERGY: 2876600 731.1590 2145.6562 1978.2980 111.3410 -206471.7640 17992.2306 0.0000 0.0000 34489.5014 -149023.5777 301.2054 -183513.0792 -148917.0956 300.0235 131.8377 162.9551 557500.6281 17.2095 17.2881 PRESSURE: 2876800 -260.522 -19.985 169.04 -19.9847 -164.654 -10.6834 169.039 -10.684 -65.4068 GPRESSURE: 2876800 -192.106 15.8419 81.4019 26.5255 -148.384 -22.1939 284.909 59.72 -57.2863 PRESSAVG: 2876800 22.3887 8.76352 -1.36145 8.76342 -10.2755 24.671 -1.36143 24.6711 -26.8476 GPRESSAVG: 2876800 24.4731 9.8585 -0.468259 7.54664 -11.4133 27.2244 -1.39913 23.363 -27.5397 TIMING: 2876800 CPU: 8581.72, 0.00298821/step Wall: 8581.72, 0.00298821/step, 1.76238 hours remaining, 206.710938 MB of memory in use. ENERGY: 2876800 739.4964 2138.3787 1972.0733 115.3597 -206198.6437 17546.6591 0.0000 0.0000 34609.9336 -149076.7429 302.2572 -183686.6765 -148977.3779 300.3558 -163.5275 -132.5922 558212.0008 -4.9115 -4.8266 PRESSURE: 2877000 125.389 -21.2036 -17.883 -21.2046 9.93788 -101.618 -17.8825 -101.618 -118.612 GPRESSURE: 2877000 154.889 1.80091 -11.4389 -66.7578 73.1976 -56.7131 -78.4904 -11.1481 -114.157 PRESSAVG: 2877000 11.3343 2.34067 -20.1654 2.34081 10.0438 2.52771 -20.1653 2.52763 30.582 GPRESSAVG: 2877000 9.51203 3.04796 -19.4141 2.28634 10.4185 4.45713 -19.5095 1.06086 31.8952 TIMING: 2877000 CPU: 8582.32, 0.0030084/step Wall: 8582.32, 0.0030084/step, 1.77412 hours remaining, 206.710938 MB of memory in use. ENERGY: 2877000 761.2758 2080.8090 1957.3025 116.7309 -206323.9306 17780.3738 0.0000 0.0000 34375.3211 -149252.1175 300.2082 -183627.4386 -149153.7386 299.8654 5.5716 37.9764 557583.0822 17.3200 17.2752 PRESSURE: 2877200 1.58746 36.2522 -2.49704 36.252 52.7222 -55.3304 -2.49682 -55.3329 -89.9923 GPRESSURE: 2877200 48.4752 29.5461 -37.3813 126.956 52.4472 -32.9402 5.64048 -52.6335 -40.5034 PRESSAVG: 2877200 49.7612 12.6453 -38.043 12.6452 -37.2659 -7.65909 -38.0429 -7.65905 10.7337 GPRESSAVG: 2877200 49.7007 10.0582 -37.3112 13.3623 -36.674 -9.04002 -38.1014 -6.18034 10.033 TIMING: 2877200 CPU: 8582.93, 0.00302235/step Wall: 8582.93, 0.00302235/step, 1.78218 hours remaining, 206.710938 MB of memory in use. ENERGY: 2877200 792.7846 2137.0522 1938.1891 105.0140 -206138.8797 17838.3061 0.0000 0.0000 34188.2562 -149139.2776 298.5745 -183327.5337 -149044.1308 299.0940 -11.8942 20.1397 557856.0338 7.7430 7.6866 PRESSURE: 2877400 -59.5522 113.539 -41.1806 113.539 -273.722 -289.571 -41.1792 -289.573 153.763 GPRESSURE: 2877400 -73.7452 132.742 -8.04832 45.8012 -162.447 -256.688 29.5256 -197.02 137.271 PRESSAVG: 2877400 35.331 4.69888 -24.6746 4.69888 -43.7055 -17.4403 -24.6747 -17.4403 19.0942 GPRESSAVG: 2877400 35.4022 7.92204 -25.1897 3.29077 -43.7687 -17.6603 -25.1982 -17.5668 18.9008 TIMING: 2877400 CPU: 8583.54, 0.00305462/step Wall: 8583.54, 0.00305462/step, 1.80104 hours remaining, 206.710938 MB of memory in use. ENERGY: 2877400 777.2815 2149.9221 1942.0035 120.1008 -206209.2949 17759.7253 0.0000 0.0000 34293.8497 -149166.4120 299.4967 -183460.2617 -149068.9172 299.3091 -59.8369 -32.9739 558232.6147 3.5733 3.5115 PRESSURE: 2877600 -64.3023 28.5019 -43.6441 28.5009 -149.813 -88.3429 -43.6433 -88.341 172.155 GPRESSURE: 2877600 -30.0804 70.7573 111.343 -20.1009 -146.745 -95.4515 -76.1053 -17.7865 225.649 PRESSAVG: 2877600 -9.57609 28.1783 -40.6755 28.1784 -76.7497 7.18203 -40.6755 7.18197 83.5683 GPRESSAVG: 2877600 -9.62272 26.1788 -40.6758 29.2099 -76.3617 6.61335 -40.9129 7.32552 83.2786 TIMING: 2877600 CPU: 8584.15, 0.00305876/step Wall: 8584.15, 0.00305876/step, 1.80331 hours remaining, 206.710938 MB of memory in use. ENERGY: 2877600 736.1775 2085.2713 1962.5437 118.7374 -205918.3036 17637.8505 0.0000 0.0000 34291.2722 -149086.4512 299.4742 -183377.7233 -148990.3719 299.3901 -13.9869 16.2745 557722.8046 -0.9192 -0.9019 PRESSURE: 2877800 -231.699 137.146 112.914 137.146 -345.654 -142.675 112.915 -142.676 -298.955 GPRESSURE: 2877800 -233.574 148.662 -29.9137 122.938 -272.206 -48.6153 124.732 -213.899 -289.71 PRESSAVG: 2877800 -29.8538 -6.56156 51.6632 -6.56155 7.31917 -22.7725 51.6631 -22.7725 -10.2215 GPRESSAVG: 2877800 -28.9991 -7.02542 51.7775 -3.8763 7.73626 -23.3403 50.3668 -22.0974 -11.1722 TIMING: 2877800 CPU: 8584.76, 0.0030375/step Wall: 8584.76, 0.0030375/step, 1.79061 hours remaining, 206.710938 MB of memory in use. ENERGY: 2877800 773.8248 2096.0266 1983.4375 109.9608 -205494.7313 17433.8302 0.0000 0.0000 34245.9111 -148851.7403 299.0781 -183097.6514 -148762.6284 299.7044 -292.1028 -265.1635 558624.9283 -10.9187 -10.8117 PRESSURE: 2878000 131.164 197.317 202.52 197.317 -186.12 34.9551 202.521 34.9558 -56.6345 GPRESSURE: 2878000 185.222 126.626 193.157 224.618 -169.67 -3.04001 185.624 -14.7956 -35.4071 PRESSAVG: 2878000 -26.3964 1.92724 46.4622 1.92726 -85.04 3.58022 46.4621 3.58025 119.878 GPRESSAVG: 2878000 -28.5485 1.9904 45.9622 0.495546 -84.3351 3.93975 45.6825 3.96143 120.981 TIMING: 2878000 CPU: 8585.37, 0.00306014/step Wall: 8585.37, 0.00306014/step, 1.80378 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: 2878000 735.9937 2070.4044 1989.1797 114.3249 -205784.1664 17644.8788 0.0000 0.0000 34226.1873 -149003.1976 298.9058 -183229.3849 -148901.8455 300.5115 -37.1968 -6.6184 558486.3526 2.8138 2.6991 PRESSURE: 2878200 65.2812 -86.8798 -123.073 -86.8792 208.976 204.948 -123.074 204.948 72.4228 GPRESSURE: 2878200 71.7437 -53.47 -82.1219 -11.3724 233.585 225.968 -168.806 249.376 144.791 PRESSAVG: 2878200 8.92353 27.0579 -22.734 27.058 -14.8676 -18.6556 -22.7341 -18.6556 18.8978 GPRESSAVG: 2878200 10.0989 29.3777 -22.3277 25.7093 -15.3527 -19.2644 -20.2735 -18.153 17.854 TIMING: 2878200 CPU: 8585.98, 0.00304584/step Wall: 8585.98, 0.00304584/step, 1.79518 hours remaining, 206.875000 MB of memory in use. ENERGY: 2878200 753.3609 2079.8230 1995.5793 106.1848 -206314.8052 17996.3350 0.0000 0.0000 34265.9720 -149117.5500 299.2533 -183383.5221 -149015.9107 299.3111 115.5600 150.0399 558377.5483 4.3179 4.2000 PRESSURE: 2878400 25.443 -31.8947 -13.4545 -31.8945 -238.149 75.1224 -13.4552 75.123 8.24631 GPRESSURE: 2878400 76.8606 -9.45146 -39.4633 -72.8396 -185.523 94.0035 -13.5246 -41.0569 5.74674 PRESSAVG: 2878400 -6.18072 -6.82117 -18.1384 -6.82124 -50.7841 4.90606 -18.1385 4.90605 21.0503 GPRESSAVG: 2878400 -5.81958 -9.17741 -17.7924 -6.09085 -51.579 7.17803 -19.5338 2.09672 21.3851 TIMING: 2878400 CPU: 8586.59, 0.00306898/step Wall: 8586.59, 0.00306898/step, 1.80865 hours remaining, 206.875000 MB of memory in use. ENERGY: 2878400 748.1012 2053.1294 1966.3278 102.3114 -206089.5288 17725.6116 0.0000 0.0000 34356.5668 -149137.4806 300.0444 -183494.0474 -149042.5188 299.4016 -68.1532 -34.3054 558005.0038 -11.9715 -12.0045 PRESSURE: 2878600 59.3631 -4.63462 -72.9358 -4.63345 -3.94799 -57.039 -72.9368 -57.0398 227.862 GPRESSURE: 2878600 32.2048 -19.833 -12.1434 -13.4904 55.98 -47.3126 -75.0665 7.1955 297.886 PRESSAVG: 2878600 -4.06873 -29.2199 11.9829 -29.2199 56.5764 42.1258 11.9828 42.1258 -19.4613 GPRESSAVG: 2878600 -2.78222 -27.8047 11.2244 -29.3795 55.6756 42.0024 12.278 44.5726 -19.2628 TIMING: 2878600 CPU: 8587.2, 0.00304684/step Wall: 8587.2, 0.00304684/step, 1.79544 hours remaining, 206.875000 MB of memory in use. ENERGY: 2878600 778.5631 2100.0060 1960.8434 98.3484 -206525.4432 18119.8770 0.0000 0.0000 34136.9175 -149330.8878 298.1262 -183467.8053 -149238.2323 298.8795 94.4256 128.6903 558656.7089 11.0155 11.2102 PRESSURE: 2878800 46.2096 -131.021 -167.886 -131.021 -202.183 -25.3863 -167.886 -25.3852 -5.39228 GPRESSURE: 2878800 38.7302 12.2413 -92.5939 -177.526 -107.449 -60.4689 -152.261 -102.364 4.94936 PRESSAVG: 2878800 36.206 -1.85033 -28.2014 -1.85028 -77.6195 9.56704 -28.2014 9.56711 32.4257 GPRESSAVG: 2878800 34.9106 -2.01644 -29.3412 -2.37123 -77.2363 8.72749 -28.1061 6.37697 32.5935 TIMING: 2878800 CPU: 8587.81, 0.00303588/step Wall: 8587.81, 0.00303588/step, 1.78881 hours remaining, 206.875000 MB of memory in use. ENERGY: 2878800 739.7580 2060.4934 1984.2188 112.4779 -206517.9426 17905.6446 0.0000 0.0000 34356.9643 -149358.3857 300.0479 -183715.3499 -149265.2525 298.6795 -53.7885 -21.2565 558371.8117 -2.9959 -3.2441 PRESSURE: 2879000 -183.645 102.122 1.23032 102.124 22.5749 -79.3948 1.23088 -79.3948 55.3576 GPRESSURE: 2879000 -139.119 135.061 80.2158 165.865 69.9737 -157.064 -28.3904 -60.1673 71.643 PRESSAVG: 2879000 -5.82223 33.8753 -2.93314 33.8753 -36.268 38.0686 -2.93316 38.0686 9.64663 GPRESSAVG: 2879000 -6.34906 32.8529 -1.86384 35.4078 -35.6301 36.868 -3.40251 39.6935 9.94527 TIMING: 2879000 CPU: 8588.42, 0.00306181/step Wall: 8588.42, 0.00306181/step, 1.80392 hours remaining, 206.875000 MB of memory in use. ENERGY: 2879000 725.0066 2118.1242 1972.2838 115.7522 -206477.2428 17919.9859 0.0000 0.0000 34473.9650 -149152.1250 301.0697 -183626.0900 -149050.3437 299.1104 -35.2375 0.8327 558914.6929 -10.8145 -10.6780 PRESSURE: 2879200 -57.8527 -96.9599 -30.2562 -96.958 -108.127 33.0031 -30.2561 33.0029 77.4982 GPRESSURE: 2879200 22.5288 -26.1173 -30.6024 -105.741 -98.2717 35.1334 93.025 73.9202 76.7118 PRESSAVG: 2879200 -5.18934 -13.8573 2.60888 -13.8573 13.2176 -26.4551 2.60896 -26.455 3.78777 GPRESSAVG: 2879200 -5.15083 -13.3527 1.94999 -15.3576 13.0051 -26.3729 4.46593 -24.9174 4.28507 TIMING: 2879200 CPU: 8589.04, 0.00308197/step Wall: 8589.04, 0.00308197/step, 1.81562 hours remaining, 206.875000 MB of memory in use. ENERGY: 2879200 733.4091 2064.5408 1992.0362 116.3572 -205840.8650 17688.9181 0.0000 0.0000 34144.2822 -149101.3215 298.1905 -183245.6037 -148999.6206 299.7278 -29.4939 0.3230 558880.6310 3.9387 4.0465 PRESSURE: 2879400 1.34132 105.913 16.3823 105.914 98.8606 -40.9558 16.3822 -40.9563 -228.086 GPRESSURE: 2879400 79.5824 38.2943 73.0362 57.4302 87.2643 -83.7013 32.7586 -55.4289 -206.795 PRESSAVG: 2879400 64.2633 -35.4191 -40.6935 -35.4191 -36.7532 -2.25812 -40.6934 -2.25822 -4.30386 GPRESSAVG: 2879400 64.2942 -37.4984 -39.7917 -34.5109 -37.6817 0.349808 -40.5538 -4.88701 -3.30028 TIMING: 2879400 CPU: 8589.65, 0.00306466/step Wall: 8589.65, 0.00306466/step, 1.80526 hours remaining, 206.875000 MB of memory in use. ENERGY: 2879400 767.8453 2056.2170 1968.6506 120.6732 -205732.7689 17625.4505 0.0000 0.0000 34124.9400 -149068.9922 298.0216 -183193.9322 -148968.0297 299.4496 -42.6279 -13.3161 557590.0026 7.7354 7.7707 PRESSURE: 2879600 31.4684 -16.9003 -208.757 -16.9015 -36.4051 -14.6039 -208.757 -14.6033 -31.1829 GPRESSURE: 2879600 54.8306 72.6517 -221.386 16.1586 5.79113 24.1964 -189.053 14.499 8.52185 PRESSAVG: 2879600 86.179 2.76026 33.6943 2.76019 -25.7164 43.4634 33.6942 43.4634 -67.6223 GPRESSAVG: 2879600 85.6229 4.39111 33.7624 3.27288 -25.1285 42.616 33.1412 46.1398 -67.3654 TIMING: 2879600 CPU: 8590.27, 0.00307152/step Wall: 8590.27, 0.00307152/step, 1.80913 hours remaining, 206.875000 MB of memory in use. ENERGY: 2879600 747.4500 2157.1067 1959.4283 119.8451 -206188.4887 17869.0836 0.0000 0.0000 34244.6616 -149090.9135 299.0671 -183335.5751 -149002.3378 299.1595 -12.0399 23.0479 558156.1973 -2.3866 -2.2903 PRESSURE: 2879800 82.9551 56.352 132.116 56.3517 125.139 -152.503 132.116 -152.503 9.62559 GPRESSURE: 2879800 75.5609 81.3257 90.7125 30.1963 171.072 -174.325 121.967 -90.619 73.3707 PRESSAVG: 2879800 -43.2318 36.7797 2.74995 36.7797 22.0677 -5.7163 2.75001 -5.71633 -18.9921 GPRESSAVG: 2879800 -42.901 36.3974 3.61924 37.5383 21.7201 -6.23807 1.8345 -6.6726 -19.311 TIMING: 2879800 CPU: 8590.88, 0.00306774/step Wall: 8590.88, 0.00306774/step, 1.80673 hours remaining, 206.875000 MB of memory in use. ENERGY: 2879800 749.0622 2140.6472 1945.8231 109.7954 -206270.8603 18022.7970 0.0000 0.0000 34238.4680 -149064.2674 299.0131 -183302.7354 -148961.0348 300.0352 72.5731 106.6678 558313.9080 -13.3854 -13.4973 PRESSURE: 2880000 -95.1263 -95.6419 48.0251 -95.6408 -149.958 -5.5769 48.025 -5.57661 249.92 GPRESSURE: 2880000 -0.112652 -128.587 38.6997 -144.113 -178.129 8.96979 49.4808 -26.4959 270.716 PRESSAVG: 2880000 15.1229 15.6399 38.8745 15.64 -41.2029 -7.95341 38.8745 -7.95343 41.2716 GPRESSAVG: 2880000 15.7212 17.7171 37.0004 14.3747 -40.6237 -9.33326 40.6595 -7.40581 39.9796 TIMING: 2880000 CPU: 8591.48, 0.00302451/step Wall: 8591.48, 0.00302451/step, 1.7811 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: 2880000 752.5152 2066.1391 1920.5229 126.4370 -205928.9864 17897.1870 0.0000 0.0000 33948.1730 -149218.0123 296.4778 -183166.1853 -149118.9003 299.8138 1.6117 30.8249 557291.7186 5.0639 5.0257 PRESSURE: 2880200 -9.47938 185.874 -64.311 185.874 69.1539 -93.2281 -64.3122 -93.2284 -13.1548 GPRESSURE: 2880200 35.6088 208.059 -62.1986 72.1154 106.386 -103.927 14.7781 -67.4646 6.99088 PRESSAVG: 2880200 59.724 4.37057 -24.4248 4.37055 -23.3012 -19.3707 -24.4247 -19.3708 -18.4836 GPRESSAVG: 2880200 61.4173 2.74436 -24.514 5.57499 -24.0772 -16.3871 -24.9807 -21.2349 -18.9909 TIMING: 2880200 CPU: 8592.09, 0.00302124/step Wall: 8592.09, 0.00302123/step, 1.779 hours remaining, 206.875000 MB of memory in use. ENERGY: 2880200 752.6989 2054.2257 1949.7920 113.4804 -206202.4437 17965.7192 0.0000 0.0000 34254.5873 -149111.9402 299.1538 -183366.5275 -149009.7844 299.6039 15.5065 49.6619 557265.7529 5.9797 6.1164 LDB: ============= START OF LOAD BALANCING ============== 8595.52 LDB: ============== END OF LOAD BALANCING =============== 8595.52 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8595.52 LDB: ============= START OF LOAD BALANCING ============== 8595.82 LDB: Largest compute 4820 load 0.028900 is 24.5% of average load 0.118026 LDB: Average compute 0.001732 is 1.5% of average load 0.118026 LDB: TIME 8595.83 LOAD: AVG 0.118026 MAX 0.213586 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 8595.83 LOAD: AVG 0.118026 MAX 0.213586 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: TIME 8595.83 LOAD: AVG 0.118026 MAX 0.213586 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8595.83 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8595.83 PRESSURE: 2880400 -155.346 -76.0001 -207.595 -76.0002 -22.5957 -68.6881 -207.596 -68.6909 -162.874 GPRESSURE: 2880400 -104.006 -84.0668 -38.6653 -37.7956 -6.74991 -97.8144 -228.011 -46.9798 -136.737 PRESSAVG: 2880400 62.5893 12.9864 -30.4863 12.9864 -7.56845 -20.6972 -30.4862 -20.6972 -55.2931 GPRESSAVG: 2880400 59.8298 15.1146 -29.4712 12.209 -6.14291 -22.057 -30.7185 -19.5869 -54.2648 TIMING: 2880400 CPU: 8592.7, 0.00307558/step Wall: 8592.7, 0.00307558/step, 1.81083 hours remaining, 205.941406 MB of memory in use. ENERGY: 2880400 775.9782 2096.3787 1938.6233 101.8670 -205959.7840 17718.5719 0.0000 0.0000 34239.3917 -149088.9730 299.0211 -183328.3648 -148990.5042 299.8325 -113.6053 -82.4975 558404.8163 -0.0908 -0.1926 PRESSURE: 2880600 173.537 110.601 -286.661 110.601 56.2809 -73.5305 -286.661 -73.5304 65.8973 GPRESSURE: 2880600 176.863 47.5402 -317.444 88.5053 143.999 0.51244 -183.423 -88.5513 83.7888 PRESSAVG: 2880600 16.8542 14.2961 -49.9094 14.2961 25.5844 22.7425 -49.9094 22.7426 -25.7044 GPRESSAVG: 2880600 17.331 12.9464 -49.4991 14.3557 26.4494 23.6904 -49.8856 23.2349 -26.7687 TIMING: 2880600 CPU: 8593.32, 0.00305718/step Wall: 8593.32, 0.00305718/step, 1.79983 hours remaining, 205.941406 MB of memory in use. ENERGY: 2880600 715.7212 2065.1208 1966.8751 112.7295 -206284.6318 18005.6889 0.0000 0.0000 34352.1103 -149066.3862 300.0055 -183418.4964 -148973.8043 299.5147 98.5719 134.8835 556433.7899 5.5781 5.6706 PRESSURE: 2880800 -36.4435 106.743 123.726 106.742 -269.591 -153.989 123.724 -153.99 -141.965 GPRESSURE: 2880800 -3.01079 197.823 133.539 22.2196 -237.972 -143.895 158.575 -180.962 -112.31 PRESSAVG: 2880800 -25.5959 68.7845 -30.3654 68.7845 51.9403 -16.9755 -30.3653 -16.9754 -14.623 GPRESSAVG: 2880800 -25.9574 70.7312 -29.9726 67.2877 51.0892 -17.7529 -31.3632 -17.1247 -13.3997 TIMING: 2880800 CPU: 8593.93, 0.0030834/step Wall: 8593.93, 0.0030834/step, 1.81509 hours remaining, 205.941406 MB of memory in use. ENERGY: 2880800 735.8085 2096.7005 1955.4202 120.0199 -206031.8128 17604.9703 0.0000 0.0000 34434.9468 -149083.9465 300.7290 -183518.8934 -148989.3755 299.5642 -149.3332 -117.7641 558623.3769 3.9071 3.9107 PRESSURE: 2881000 -227.305 10.9771 -131.992 10.9773 214.884 -172.552 -131.991 -172.551 -25.4899 GPRESSURE: 2881000 -209.178 -62.9956 -56.933 -0.14309 267.785 -165.635 -130.661 -155.601 -3.85939 PRESSAVG: 2881000 -22.5985 19.6968 -11.5794 19.6968 101.838 -29.2797 -11.5795 -29.2795 -36.5482 GPRESSAVG: 2881000 -22.266 18.3601 -11.6792 19.9533 101.662 -28.8956 -10.934 -30.2842 -36.6778 TIMING: 2881000 CPU: 8594.55, 0.00306747/step Wall: 8594.55, 0.00306747/step, 1.80555 hours remaining, 205.941406 MB of memory in use. ENERGY: 2881000 751.3864 2094.9937 1965.2650 111.5165 -206195.1434 17882.6210 0.0000 0.0000 34455.2598 -148934.1010 300.9064 -183389.3607 -148835.3209 300.1967 -12.6369 18.2492 558545.1527 14.2305 14.2395 PRESSURE: 2881200 -252.271 71.6561 -30.5467 71.6575 -15.6853 -151.945 -30.5458 -151.944 124.656 GPRESSURE: 2881200 -169.347 74.3129 -80.1659 92.5851 31.2129 -150.519 -28.3103 -155.29 92.5222 PRESSAVG: 2881200 -55.2949 39.4378 41.6164 39.4379 15.7533 40.8124 41.6164 40.8123 42.3279 GPRESSAVG: 2881200 -55.4711 40.7466 41.8646 40.5296 16.1031 39.6167 40.11 41.735 42.739 TIMING: 2881200 CPU: 8595.16, 0.00305233/step Wall: 8595.16, 0.00305233/step, 1.79647 hours remaining, 206.144531 MB of memory in use. ENERGY: 2881200 732.9047 2065.6455 1955.7771 120.4909 -205796.5072 17658.4572 0.0000 0.0000 34418.8203 -148844.4115 300.5881 -183263.2318 -148743.3646 301.1293 -47.7667 -15.2038 558352.2236 0.9288 1.1237 PRESSURE: 2881400 107.769 -89.0098 -115.846 -89.0083 243.302 146.536 -115.845 146.536 -232.237 GPRESSURE: 2881400 134.728 -60.8289 -100.685 -116.888 255.408 125.521 -98.9022 110.332 -176.017 PRESSAVG: 2881400 -47.8408 49.8859 -12.1235 49.8858 82.2659 25.5704 -12.1235 25.5705 -15.4671 GPRESSAVG: 2881400 -46.6009 48.6577 -13.5229 50.8341 81.2996 25.3851 -11.2889 25.1755 -14.9559 TIMING: 2881400 CPU: 8595.77, 0.00304992/step Wall: 8595.77, 0.00304992/step, 1.79488 hours remaining, 206.144531 MB of memory in use. ENERGY: 2881400 705.4872 2075.7480 1951.0798 122.4233 -205774.9730 17679.9909 0.0000 0.0000 34366.8459 -148873.3979 300.1342 -183240.2439 -148769.4299 299.7705 39.6114 71.3730 557639.2128 6.3193 6.5810 PRESSURE: 2881600 -94.9822 47.5401 37.5515 47.5411 -282.573 -14.7491 37.5518 -14.7483 -137.939 GPRESSURE: 2881600 -58.1419 43.9887 38.7396 73.9247 -235.115 -22.5125 13.6058 -20.4297 -120.899 PRESSAVG: 2881600 -12.9989 42.2388 -12.9982 42.2388 20.408 26.5896 -12.9982 26.5895 -20.898 GPRESSAVG: 2881600 -13.6557 41.9692 -13.4024 40.1821 20.8999 26.8434 -10.7058 26.0123 -20.9709 TIMING: 2881600 CPU: 8596.38, 0.00305417/step Wall: 8596.38, 0.00305417/step, 1.79721 hours remaining, 206.144531 MB of memory in use. ENERGY: 2881600 727.9777 2133.2251 1930.1608 109.2560 -205645.7844 17500.7049 0.0000 0.0000 34309.9818 -148934.4781 299.6376 -183244.4599 -148835.2599 300.0100 -171.8315 -138.0520 558260.7801 -4.4963 -4.5756 PRESSURE: 2881800 7.87344 201.091 -45.362 201.09 23.1774 63.023 -45.3618 63.023 61.0074 GPRESSURE: 2881800 73.356 176.183 28.728 226.125 20.8443 26.5399 30.8 -6.9219 84.1747 PRESSAVG: 2881800 -47.6038 47.4282 -41.5255 47.4282 28.4741 100.14 -41.5255 100.14 31.1848 GPRESSAVG: 2881800 -47.2757 47.2205 -40.1318 48.1669 28.7839 100.147 -43.4771 101.104 29.8946 TIMING: 2881800 CPU: 8596.99, 0.00304034/step Wall: 8596.99, 0.00304034/step, 1.7889 hours remaining, 206.144531 MB of memory in use. ENERGY: 2881800 705.2832 2155.9270 1947.0432 113.1926 -206086.8541 17795.1572 0.0000 0.0000 34300.9549 -149069.2959 299.5588 -183370.2508 -148974.6352 300.0028 30.6861 59.4583 557886.9804 4.0184 3.8009 PRESSURE: 2882000 -223.905 -91.7484 -32.6075 -91.749 -406.105 -157.005 -32.6063 -157.005 -163.623 GPRESSURE: 2882000 -197.755 -122.794 -75.9825 -79.567 -332.438 -123.528 -17.3374 -200.132 -152.429 PRESSAVG: 2882000 46.4747 30.3948 -44.8875 30.3948 -82.0998 3.42608 -44.8874 3.42602 36.3871 GPRESSAVG: 2882000 44.9324 31.1773 -43.7754 31.7102 -81.7258 3.3055 -44.1711 2.51902 38.2392 TIMING: 2882000 CPU: 8597.59, 0.00303215/step Wall: 8597.59, 0.00303215/step, 1.78391 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: 2882000 768.3425 2116.1884 1952.0215 104.2240 -205757.9341 17341.0067 0.0000 0.0000 34429.9551 -149046.1959 300.6854 -183476.1511 -148951.6306 299.5252 -264.5444 -227.5404 557400.1997 0.2540 0.4819 PRESSURE: 2882200 -61.8682 163.39 -54.3725 163.391 309.141 100.261 -54.3716 100.263 213.243 GPRESSURE: 2882200 -103.701 211.696 61.2719 100.462 342.483 77.7767 -98.2246 67.318 308.183 PRESSAVG: 2882200 1.17685 62.5692 -41.1694 62.5693 -42.0777 55.3701 -41.1694 55.3702 8.24091 GPRESSAVG: 2882200 2.99359 61.8314 -41.7336 61.3525 -42.6556 55.6708 -43.0519 55.4005 6.93524 TIMING: 2882200 CPU: 8598.2, 0.00304315/step Wall: 8598.2, 0.00304315/step, 1.79022 hours remaining, 206.144531 MB of memory in use. ENERGY: 2882200 737.0658 2081.3050 1946.6971 107.8615 -206086.0331 17913.9607 0.0000 0.0000 34364.3068 -148934.8362 300.1120 -183299.1431 -148841.1597 299.8736 153.5051 182.3218 556948.1710 -10.8866 -10.9089 PRESSURE: 2882400 113.19 -227.077 -111.227 -227.077 236.062 58.3649 -111.225 58.3656 -31.4245 GPRESSURE: 2882400 66.8048 -169.578 -164.893 -157.276 259.505 38.2939 -137.831 71.214 84.0179 PRESSAVG: 2882400 -41.1722 -15.0796 -23.453 -15.0797 30.3689 11.762 -23.453 11.762 -12.1576 GPRESSAVG: 2882400 -42.3013 -16.1028 -25.0989 -13.1414 30.8907 12.3267 -22.292 11.3102 -11.0604 TIMING: 2882400 CPU: 8598.81, 0.00305001/step Wall: 8598.81, 0.00305001/step, 1.79408 hours remaining, 206.144531 MB of memory in use. ENERGY: 2882400 746.0230 2125.5638 1929.6241 109.5363 -206279.3101 17971.7865 0.0000 0.0000 34285.1100 -149111.6665 299.4204 -183396.7765 -149013.8264 299.5236 105.9428 136.7759 557513.6117 -7.6536 -7.4903 PRESSURE: 2882600 43.8029 58.085 -131.507 58.086 114.231 84.2568 -131.506 84.2575 132.893 GPRESSURE: 2882600 54.2797 -14.2804 -109.044 79.5783 170.347 96.1159 -107.466 159.675 151.542 PRESSAVG: 2882600 48.8748 -31.8914 3.12526 -31.8914 -23.5287 40.0771 3.12519 40.0771 -39.7125 GPRESSAVG: 2882600 50.0184 -32.0126 1.85806 -32.4786 -23.3679 40.0507 4.33262 40.1998 -40.9809 TIMING: 2882600 CPU: 8599.42, 0.00306775/step Wall: 8599.42, 0.00306775/step, 1.80435 hours remaining, 206.144531 MB of memory in use. ENERGY: 2882600 726.6991 2076.5179 1950.8751 116.2447 -206251.3280 17925.3910 0.0000 0.0000 34090.0305 -149365.5697 297.7167 -183455.6002 -149264.8760 298.7756 96.9756 125.3898 558361.3560 -4.7888 -4.7768 PRESSURE: 2882800 -257.664 5.83422 56.4416 5.83369 13.5189 56.0642 56.4412 56.0646 -394.634 GPRESSURE: 2882800 -239.012 -64.8589 51.6963 40.8991 18.0118 88.8207 33.227 66.8394 -331.364 PRESSAVG: 2882800 40.5249 -52.1113 9.31466 -52.1113 47.1537 22.2335 9.3148 22.2336 -59.9273 GPRESSAVG: 2882800 38.4748 -51.8431 9.75197 -50.684 47.8759 24.3674 7.26275 22.232 -58.85 TIMING: 2882800 CPU: 8600.03, 0.00304294/step Wall: 8600.03, 0.00304294/step, 1.78958 hours remaining, 206.144531 MB of memory in use. ENERGY: 2882800 737.1128 2107.5414 1926.2348 102.0981 -205858.7389 17420.7190 0.0000 0.0000 34366.0502 -149198.9827 300.1273 -183565.0329 -149099.8436 299.0600 -212.9264 -184.1214 558669.9130 9.2504 9.1669 PRESSURE: 2883000 297.853 -4.97074 54.0169 -4.96961 31.0567 -245.764 54.0169 -245.763 171.499 GPRESSURE: 2883000 296.02 0.927014 72.7575 -31.1558 65.1613 -220.804 -7.14787 -216.301 226.375 PRESSAVG: 2883000 40.7293 -23.1735 30.5945 -23.1735 -24.3582 40.6926 30.5946 40.6925 -19.0352 GPRESSAVG: 2883000 41.7382 -21.9347 30.1523 -24.7825 -24.3157 38.528 31.8525 40.0436 -20.1571 TIMING: 2883000 CPU: 8600.64, 0.00306089/step Wall: 8600.64, 0.00306089/step, 1.79997 hours remaining, 206.144531 MB of memory in use. ENERGY: 2883000 732.5839 2129.7185 1950.6621 116.3149 -206595.5419 18085.2382 0.0000 0.0000 34315.3423 -149265.6820 299.6844 -183581.0243 -149176.7647 299.3629 166.8031 195.8521 557875.1055 -0.8880 -0.9115 PRESSURE: 2883200 37.88 -5.31211 21.0346 -5.312 156.79 133.339 21.0353 133.34 -41.977 GPRESSURE: 2883200 51.0312 -43.6345 -2.51673 -54.6089 212.481 142.458 100.599 126.444 -9.21935 PRESSAVG: 2883200 4.85125 -42.9012 -3.91033 -42.9011 32.2274 -6.42268 -3.91028 -6.4227 10.0735 GPRESSAVG: 2883200 4.32495 -43.188 -1.20044 -45.1394 32.0333 -4.44071 -5.95896 -3.93721 11.3938 TIMING: 2883200 CPU: 8601.25, 0.00303674/step Wall: 8601.25, 0.00303674/step, 1.78561 hours remaining, 206.144531 MB of memory in use. ENERGY: 2883200 731.4168 2109.6580 1955.2177 120.1769 -206525.8372 17979.6395 0.0000 0.0000 34481.4688 -149148.2594 301.1352 -183629.7282 -149048.8044 299.7108 50.8976 84.7641 556626.3324 15.7174 15.9173 PRESSURE: 2883400 86.4333 -104.714 -2.75118 -104.714 147.213 -146.4 -2.7507 -146.399 42.3036 GPRESSURE: 2883400 97.2259 -133.219 -56.5065 -67.1902 161.657 -214.761 -22.0521 -149.827 110.789 PRESSAVG: 2883400 11.5875 -67.1214 -13.2395 -67.1214 -14.7882 1.5372 -13.2394 1.53706 -20.1166 GPRESSAVG: 2883400 13.1717 -68.8216 -14.9273 -64.3215 -14.3527 0.205051 -11.7 0.544673 -23.017 TIMING: 2883400 CPU: 8601.87, 0.00307874/step Wall: 8601.87, 0.00307874/step, 1.81013 hours remaining, 206.144531 MB of memory in use. ENERGY: 2883400 745.4282 2077.3703 1962.5184 102.8217 -206294.6511 17848.9079 0.0000 0.0000 34364.0753 -149193.5292 300.1100 -183557.6045 -149100.4797 299.5607 91.9832 123.2239 555362.5167 -7.7725 -8.0660 PRESSURE: 2883600 135.655 -113.947 -40.6643 -113.946 -82.2472 18.5858 -40.6644 18.5856 11.187 GPRESSURE: 2883600 219.817 -85.9245 89.4796 -181.209 -45.7609 18.7225 -106.927 51.8601 -6.72184 PRESSAVG: 2883600 98.651 -31.2955 -25.2032 -31.2954 -47.0549 -12.1044 -25.2032 -12.1044 0.524285 GPRESSAVG: 2883600 97.8625 -29.1494 -22.8339 -33.5065 -46.8311 -13.1146 -27.1019 -12.039 1.14486 TIMING: 2883600 CPU: 8602.48, 0.00305298/step Wall: 8602.48, 0.00305298/step, 1.79481 hours remaining, 206.144531 MB of memory in use. ENERGY: 2883600 760.3935 2130.8036 1973.4097 109.4241 -206372.7185 17899.9901 0.0000 0.0000 34251.8749 -149246.8226 299.1301 -183498.6975 -149148.6185 299.3854 21.5315 55.7781 557757.3895 17.3735 17.3921 PRESSURE: 2883800 -12.202 -174.414 -246.855 -174.413 -106.958 -0.290322 -246.855 -0.287985 -55.7564 GPRESSURE: 2883800 -34.4784 -129.167 -250.511 -98.322 -21.6094 -77.0475 -211.938 64.8978 -18.7716 PRESSAVG: 2883800 26.3383 -86.7921 -24.6823 -86.7922 -12.0351 -15.8291 -24.6824 -15.8291 -35.7129 GPRESSAVG: 2883800 26.2431 -87.6351 -25.1817 -84.7919 -12.3427 -15.527 -25.7975 -15.0233 -35.5723 TIMING: 2883800 CPU: 8603.09, 0.00304745/step Wall: 8603.09, 0.00304745/step, 1.79139 hours remaining, 206.144531 MB of memory in use. ENERGY: 2883800 762.3646 2073.5262 1943.9290 120.7231 -206212.5587 17728.6064 0.0000 0.0000 34235.6908 -149347.7186 298.9888 -183583.4094 -149247.8943 299.2609 -58.3053 -24.9531 557934.6949 -7.1366 -7.2240 PRESSURE: 2884000 -159.888 43.5442 -34.7186 43.5446 -164.227 -121.514 -34.7184 -121.515 39.2428 GPRESSURE: 2884000 -124.016 47.6143 1.92085 32.1285 -167.071 -119.163 -50.3661 -103.269 90.3843 PRESSAVG: 2884000 -13.8439 7.30936 -26.3832 7.30933 -20.3684 -27.1576 -26.3832 -27.1575 38.5272 GPRESSAVG: 2884000 -12.6925 8.01682 -27.1296 6.40273 -21.4256 -27.5893 -25.17 -27.2899 38.7504 TIMING: 2884000 CPU: 8603.69, 0.00300652/step Wall: 8603.69, 0.00300653/step, 1.76717 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: 2884000 728.6230 2132.3506 1948.9573 103.0846 -206061.2150 17662.7416 0.0000 0.0000 34093.8710 -149391.5868 297.7503 -183485.4578 -149294.6507 298.9425 -94.9576 -66.9010 557380.5545 1.4383 1.5441 PRESSURE: 2884200 -61.8761 -30.5358 26.9658 -30.5363 -271.357 138.971 26.9665 138.971 -119.881 GPRESSURE: 2884200 -28.8528 -19.185 21.082 -44.4342 -208.072 69.6309 32.9901 137.275 -120.837 PRESSAVG: 2884200 41.9148 -26.884 -30.8915 -26.884 -30.8895 -10.7842 -30.8915 -10.7843 -36.3778 GPRESSAVG: 2884200 40.3055 -26.8096 -31.34 -26.9299 -30.649 -10.1675 -27.5188 -10.9414 -34.8419 TIMING: 2884200 CPU: 8604.29, 0.00302644/step Wall: 8604.29, 0.00302644/step, 1.77871 hours remaining, 206.144531 MB of memory in use. ENERGY: 2884200 752.7293 2101.3190 1940.4184 115.7975 -206052.5291 17668.0653 0.0000 0.0000 34159.2225 -149314.9770 298.3210 -183474.1995 -149219.9765 298.5227 -151.0380 -119.2539 556721.2054 -8.4508 -8.3951 LDB: ============= START OF LOAD BALANCING ============== 8607.72 LDB: ============== END OF LOAD BALANCING =============== 8607.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8607.72 LDB: ============= START OF LOAD BALANCING ============== 8608.03 LDB: Largest compute 4819 load 0.027761 is 23.5% of average load 0.118082 LDB: Average compute 0.001736 is 1.5% of average load 0.118082 LDB: TIME 8608.03 LOAD: AVG 0.118082 MAX 0.211018 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 8608.03 LOAD: AVG 0.118082 MAX 0.211018 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: TIME 8608.03 LOAD: AVG 0.118082 MAX 0.211018 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 8608.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8608.03 PRESSURE: 2884400 -12.4512 208.35 -63.0612 208.349 -59.5088 21.0932 -63.0601 21.0927 -199.704 GPRESSURE: 2884400 3.82491 138.971 -177.572 252.304 10.9255 -16.8392 -11.5682 73.1527 -189.604 PRESSAVG: 2884400 9.29007 -16.4464 -39.6018 -16.4464 16.3941 63.908 -39.6018 63.9081 6.26071 GPRESSAVG: 2884400 9.06801 -16.683 -39.0634 -16.8644 16.1996 64.648 -42.3531 63.5013 6.25149 TIMING: 2884400 CPU: 8604.91, 0.00305554/step Wall: 8604.91, 0.00305554/step, 1.79564 hours remaining, 205.429688 MB of memory in use. ENERGY: 2884400 801.4262 2118.1098 1947.2757 110.7636 -206025.1484 17453.3366 0.0000 0.0000 34224.0933 -149370.1432 298.8875 -183594.2365 -149272.1786 298.5051 -90.5547 -58.2847 556606.0778 10.6483 10.5064 PRESSURE: 2884600 174.358 -4.33732 -8.38193 -4.33772 -229.007 30.4602 -8.38174 30.4599 -109.31 GPRESSURE: 2884600 201.139 -35.9148 125.739 -14.7242 -153.601 35.9446 -120.618 32.6651 -113.907 PRESSAVG: 2884600 48.3961 17.555 -17.4408 17.5549 -19.6387 45.7871 -17.4409 45.787 -34.7158 GPRESSAVG: 2884600 48.6584 16.4056 -19.0472 18.4779 -17.8115 43.8848 -16.1354 46.0217 -36.1055 TIMING: 2884600 CPU: 8605.51, 0.00301802/step Wall: 8605.51, 0.00301802/step, 1.77342 hours remaining, 205.429688 MB of memory in use. ENERGY: 2884600 771.0281 2074.4926 1942.7378 111.3609 -206357.3820 17769.2583 0.0000 0.0000 34299.4363 -149389.0680 299.5455 -183688.5043 -149297.8753 298.8513 -54.6531 -22.1229 556668.9410 -1.9861 -1.7528 PRESSURE: 2884800 -23.7296 149.97 -43.7289 149.97 37.5532 -34.1844 -43.728 -34.1841 10.3442 GPRESSURE: 2884800 11.942 60.1148 -80.5589 199.049 12.2059 49.2582 -9.1106 -118.742 88.198 PRESSAVG: 2884800 -9.18184 24.7431 -35.4966 24.743 -27.7391 -19.9762 -35.4966 -19.9763 44.4362 GPRESSAVG: 2884800 -9.59378 25.1493 -35.3468 23.0996 -28.7695 -17.2996 -35.1811 -21.6999 46.2836 TIMING: 2884800 CPU: 8606.12, 0.00303202/step Wall: 8606.12, 0.00303202/step, 1.78148 hours remaining, 205.429688 MB of memory in use. ENERGY: 2884800 748.6757 2115.3998 1949.6925 116.8846 -206423.1154 17721.3960 0.0000 0.0000 34371.0793 -149399.9875 300.1712 -183771.0668 -149301.3045 299.3329 8.0559 37.4486 555731.0727 2.5051 2.6401 PRESSURE: 2885000 -220.113 -121.939 -9.62942 -121.939 -151.049 -75.0677 -9.62941 -75.0671 81.603 GPRESSURE: 2885000 -175.022 -85.785 -64.7843 -165.554 -117.955 -37.0376 92.3904 -34.0237 97.5407 PRESSAVG: 2885000 -32.4321 17.9091 -14.3703 17.9091 22.5198 -53.5387 -14.3703 -53.5385 32.7158 GPRESSAVG: 2885000 -32.6152 16.8758 -13.4605 17.7811 22.9147 -55.1748 -15.6527 -51.271 32.3529 TIMING: 2885000 CPU: 8606.73, 0.00305159/step Wall: 8606.73, 0.00305159/step, 1.79281 hours remaining, 205.429688 MB of memory in use. ENERGY: 2885000 696.5508 2124.0200 1981.9121 107.1033 -205993.7441 17560.9987 0.0000 0.0000 34088.9656 -149434.1936 297.7074 -183523.1592 -149346.7289 299.0127 -96.5196 -65.1454 556543.8979 7.6011 7.5508 PRESSURE: 2885200 -7.52467 -7.5893 -71.7398 -7.58984 -81.0611 -16.8124 -71.74 -16.8139 102.656 GPRESSURE: 2885200 59.8411 -88.8863 -31.9337 80.6795 -69.5358 -3.42559 -162.017 -26.618 132.891 PRESSAVG: 2885200 22.1134 7.65855 -23.0708 7.65847 24.0288 8.93973 -23.0708 8.9396 -52.9693 GPRESSAVG: 2885200 23.97 8.15211 -24.9716 9.20496 23.9143 8.81269 -20.7941 7.3873 -54.5027 TIMING: 2885200 CPU: 8607.34, 0.00304798/step Wall: 8607.34, 0.00304798/step, 1.79052 hours remaining, 205.429688 MB of memory in use. ENERGY: 2885200 746.1716 2057.5169 1984.3306 110.3017 -206332.2380 17912.0207 0.0000 0.0000 34119.6103 -149402.2861 297.9750 -183521.8964 -149306.6506 298.5040 4.6902 41.0655 557111.5980 -2.2757 -2.2062 PRESSURE: 2885400 -74.2144 -252.717 65.7185 -252.718 -0.999837 174.035 65.718 174.035 -89.2148 GPRESSURE: 2885400 -54.9845 -229.285 27.1323 -265.171 -16.4754 245.997 137.3 74.9476 -9.70787 PRESSAVG: 2885400 -14.2025 14.4334 -51.8562 14.4334 2.17897 33.5888 -51.8563 33.5888 -18.7878 GPRESSAVG: 2885400 -15.272 15.9768 -50.5047 15.0246 3.05916 34.0354 -53.7454 34.5355 -18.4198 TIMING: 2885400 CPU: 8607.95, 0.00306235/step Wall: 8607.95, 0.00306235/step, 1.79879 hours remaining, 205.632812 MB of memory in use. ENERGY: 2885400 724.1916 2100.2811 1955.7679 126.7084 -206141.9600 17847.1481 0.0000 0.0000 34090.3912 -149297.4715 297.7199 -183387.8627 -149202.2627 298.5734 -54.8097 -27.0559 558915.5044 -10.2704 -10.2109 PRESSURE: 2885600 135.569 -221.093 -116.103 -221.09 43.5421 -47.7538 -116.104 -47.7541 -44.2313 GPRESSURE: 2885600 176.789 -167.975 -101.393 -148.563 85.5806 -92.6256 -13.264 -28.6333 -20.2785 PRESSAVG: 2885600 -10.6572 -11.4654 20.6539 -11.4653 32.01 78.79 20.6539 78.7901 -1.11778 GPRESSAVG: 2885600 -10.4494 -12.3709 21.1294 -11.961 31.543 78.3586 21.1948 78.0174 -0.791256 TIMING: 2885600 CPU: 8608.56, 0.0030507/step Wall: 8608.56, 0.0030507/step, 1.79178 hours remaining, 205.632812 MB of memory in use. ENERGY: 2885600 713.7768 2047.8424 1961.2647 107.8040 -206087.2546 17956.4187 0.0000 0.0000 34306.8761 -148993.2718 299.6105 -183300.1480 -148893.1482 299.7137 44.9600 80.6971 559799.5876 6.7450 6.7675 PRESSURE: 2885800 -60.352 -231.591 35.6485 -231.591 -62.652 -99.8411 35.6489 -99.8414 -125.028 GPRESSURE: 2885800 -26.7868 -222.98 30.2777 -219.793 -77.573 -77.198 73.3724 -107.698 -44.9176 PRESSAVG: 2885800 71.767 -52.6935 -23.8011 -52.6936 -30.7541 3.80962 -23.8011 3.80965 -78.1975 GPRESSAVG: 2885800 72.3506 -51.5922 -23.8637 -53.2905 -30.4245 2.85501 -22.5504 4.07247 -78.8706 TIMING: 2885800 CPU: 8609.16, 0.00303238/step Wall: 8609.16, 0.00303238/step, 1.78085 hours remaining, 205.632812 MB of memory in use. ENERGY: 2885800 773.0746 2060.0545 1935.9227 116.9914 -205998.8755 17718.0678 0.0000 0.0000 34402.4135 -148992.3510 300.4448 -183394.7645 -148898.6201 299.4019 -82.6773 -49.7591 558434.5995 -12.3948 -12.3148 PRESSURE: 2886000 -99.577 -23.0574 -30.1938 -23.0571 -19.0265 -60.425 -30.1937 -60.4261 -246.29 GPRESSURE: 2886000 -61.6484 -43.6941 -83.6062 27.129 30.0292 10.6667 -15.2836 -114.21 -248.395 PRESSAVG: 2886000 -20.2703 -47.6723 -22.8832 -47.6722 21.8159 -13.8444 -22.8833 -13.8445 -29.2975 GPRESSAVG: 2886000 -20.3365 -48.92 -22.9833 -45.4383 21.5734 -13.3465 -24.3229 -13.6366 -28.8814 TIMING: 2886000 CPU: 8609.77, 0.00304409/step Wall: 8609.77, 0.00304409/step, 1.78756 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: 2886000 726.8499 2063.9567 1977.0867 122.8199 -205855.3995 17571.5525 0.0000 0.0000 34487.9239 -148905.2099 301.1916 -183393.1338 -148814.9258 300.2659 -121.6312 -93.3379 557807.5615 -9.2506 -9.2148 PRESSURE: 2886200 128.044 -80.7072 -64.8318 -80.7085 173.168 4.46211 -64.8328 4.46216 93.8958 GPRESSURE: 2886200 220.438 -119.847 -47.1932 -63.6392 133.462 9.21854 5.91236 15.9025 139.084 PRESSAVG: 2886200 2.59443 -56.8476 -50.7162 -56.8476 56.2272 -16.2346 -50.7162 -16.2345 -11.4166 GPRESSAVG: 2886200 3.33359 -55.8985 -50.7656 -58.0358 56.0485 -17.411 -48.7468 -15.7729 -12.0525 TIMING: 2886200 CPU: 8610.39, 0.00306142/step Wall: 8610.39, 0.00306142/step, 1.79757 hours remaining, 205.632812 MB of memory in use. ENERGY: 2886200 715.4669 2070.3461 1955.4594 116.7972 -206146.7597 17935.3589 0.0000 0.0000 34321.2198 -149032.1114 299.7357 -183353.3312 -148944.1378 300.4428 131.7027 164.3279 557646.6649 15.8017 15.7765 PRESSURE: 2886400 -238.141 -12.7364 -211.101 -12.7359 -204.701 18.8155 -211.102 18.8143 -84.6636 GPRESSURE: 2886400 -180.287 -68.4528 -215.647 -72.8526 -195.341 23.6639 -135.123 -60.6312 -40.3412 PRESSAVG: 2886400 4.86153 -44.3417 -54.5317 -44.3418 -9.83757 -35.3345 -54.5316 -35.3346 20.3309 GPRESSAVG: 2886400 3.86513 -47.0276 -53.6358 -41.3944 -9.96218 -34.5378 -58.9739 -36.9704 21.539 TIMING: 2886400 CPU: 8611, 0.00307485/step Wall: 8611, 0.00307485/step, 1.80528 hours remaining, 205.632812 MB of memory in use. ENERGY: 2886400 771.3424 2004.2741 1954.7111 113.0949 -205811.2724 17626.3588 0.0000 0.0000 34303.6505 -149037.8406 299.5823 -183341.4910 -148938.5467 300.0729 -175.8354 -138.6564 558881.1218 5.1183 5.1473 PRESSURE: 2886600 18.0667 -11.0226 -168.895 -11.0243 189.446 -102.012 -168.894 -102.011 167.813 GPRESSURE: 2886600 81.1754 47.6847 -209.367 -58.9813 217.465 -78.3724 -134.494 -106.236 181.495 PRESSAVG: 2886600 35.4723 16.3267 -41.7261 16.3267 -35.6207 5.15179 -41.7263 5.15171 -33.7352 GPRESSAVG: 2886600 35.1241 17.6192 -41.7152 14.8892 -35.0559 4.61975 -39.2278 6.88418 -34.0948 TIMING: 2886600 CPU: 8611.61, 0.00302316/step Wall: 8611.61, 0.00302316/step, 1.77476 hours remaining, 205.632812 MB of memory in use. ENERGY: 2886600 727.4867 2007.4245 1929.3825 106.8912 -206051.5618 17972.1100 0.0000 0.0000 34374.5447 -148933.7222 300.2014 -183308.2669 -148846.4268 299.6143 125.1084 160.0452 557870.2469 -11.2945 -11.3422 PRESSURE: 2886800 71.8067 85.3441 6.22084 85.3432 12.9253 107.653 6.22122 107.652 -110.623 GPRESSURE: 2886800 59.281 115.534 58.8728 176.864 48.6981 128.748 -86.1375 144.636 -31.8387 PRESSAVG: 2886800 33.0122 25.3245 13.6112 25.3245 -10.1547 -19.6473 13.6112 -19.6473 -12.4303 GPRESSAVG: 2886800 32.6256 25.9211 13.0147 23.8286 -10.0607 -17.9988 13.4318 -20.1548 -12.501 TIMING: 2886800 CPU: 8612.21, 0.00303619/step Wall: 8612.21, 0.00303619/step, 1.78224 hours remaining, 205.632812 MB of memory in use. ENERGY: 2886800 754.4293 2074.6861 1916.0408 104.1718 -205816.6363 17685.6317 0.0000 0.0000 34410.1122 -148871.5644 300.5121 -183281.6766 -148772.7024 300.1201 -8.6303 25.3801 558186.7750 3.4757 3.3547 PRESSURE: 2887000 56.5398 -50.2015 125.418 -50.2018 -116.921 145.857 125.418 145.856 -212.44 GPRESSURE: 2887000 41.562 -35.3094 126.786 -87.8604 -124.384 139.077 95.3699 145.965 -92.1218 PRESSAVG: 2887000 -2.53037 12.5893 14.7592 12.5892 42.5441 23.4117 14.7591 23.4117 30.2396 GPRESSAVG: 2887000 -1.50312 11.0976 15.6815 14.2197 41.0052 22.4721 14.3467 24.9221 30.5817 TIMING: 2887000 CPU: 8612.83, 0.00306476/step Wall: 8612.83, 0.00306476/step, 1.79884 hours remaining, 205.632812 MB of memory in use. ENERGY: 2887000 743.5981 2020.0966 1939.6637 110.2248 -205885.3666 17685.6663 0.0000 0.0000 34353.2227 -149032.8944 300.0152 -183386.1171 -148934.7359 300.2357 -90.9404 -58.3146 559264.7121 23.4178 23.3612 PRESSURE: 2887200 -130.351 -101.366 -52.5782 -101.366 206.912 19.5481 -52.5787 19.5498 78.4494 GPRESSURE: 2887200 -106.58 -63.4369 -124.092 -119.088 281.885 -37.7285 37.7884 66.4899 74.3734 PRESSAVG: 2887200 -98.1298 -70.8239 -35.9213 -70.824 62.4456 11.5259 -35.9213 11.5259 30.4766 GPRESSAVG: 2887200 -97.7057 -70.7551 -35.2712 -70.7349 63.0344 10.5831 -37.9583 10.6329 29.5702 TIMING: 2887200 CPU: 8613.44, 0.0030505/step Wall: 8613.44, 0.0030505/step, 1.79031 hours remaining, 205.632812 MB of memory in use. ENERGY: 2887200 712.2810 2057.2551 1927.3984 113.9299 -205923.4030 17700.8375 0.0000 0.0000 34200.8537 -149210.8475 298.6846 -183411.7011 -149117.4174 299.7913 51.6698 83.2264 558000.9686 -1.7359 -1.7004 PRESSURE: 2887400 -112.18 90.2109 113.168 90.2104 50.5008 -33.3377 113.169 -33.3383 -201.786 GPRESSURE: 2887400 -22.2544 135.859 179.12 129.921 65.47 -29.9885 102.375 -52.1896 -208.16 PRESSAVG: 2887400 -38.6883 -11.2283 -59.735 -11.2284 72.9485 -5.19315 -59.735 -5.1932 41.6165 GPRESSAVG: 2887400 -38.5239 -10.5831 -60.5924 -11.1372 72.9305 -7.05056 -58.4204 -3.84573 41.2831 TIMING: 2887400 CPU: 8614.05, 0.00307216/step Wall: 8614.05, 0.00307216/step, 1.80284 hours remaining, 205.632812 MB of memory in use. ENERGY: 2887400 759.1408 2067.6161 1961.6916 108.2200 -206122.0764 17671.6147 0.0000 0.0000 34368.0458 -149185.7474 300.1447 -183553.7932 -149088.9022 299.2138 -87.8218 -54.9813 558773.1387 25.2923 25.2299 PRESSURE: 2887600 177.159 95.3126 90.1515 95.312 192.124 -88.6562 90.1517 -88.6568 -237.341 GPRESSURE: 2887600 223.61 113.882 132.22 88.9185 137.873 -141.829 24.476 -22.7288 -140.441 PRESSAVG: 2887600 26.9123 -13.295 -15.2557 -13.2949 44.1308 -23.6467 -15.2557 -23.6467 -77.3145 GPRESSAVG: 2887600 27.0874 -13.7196 -16.7848 -14.0073 44.5621 -23.2858 -13.051 -24.5066 -77.8085 TIMING: 2887600 CPU: 8614.67, 0.00308277/step Wall: 8614.67, 0.00308277/step, 1.8089 hours remaining, 205.632812 MB of memory in use. ENERGY: 2887600 722.9774 2030.9850 1961.2534 119.0881 -206215.7805 17843.0037 0.0000 0.0000 34288.8645 -149249.6085 299.4532 -183538.4730 -149150.2866 298.7315 43.9806 73.6809 558355.3746 -2.0905 -2.0530 PRESSURE: 2887800 -123.313 9.77325 -124.256 9.77305 -96.3527 217.914 -124.257 217.913 -292.189 GPRESSURE: 2887800 -72.053 -26.836 -133.187 70.8408 -78.5993 179.59 -124.519 237.039 -257.82 PRESSAVG: 2887800 95.0531 -16.5558 -46.2625 -16.5559 21.1845 30.7294 -46.2626 30.7295 -80.9677 GPRESSAVG: 2887800 94.2187 -14.8887 -46.33 -17.5799 20.6065 32.2996 -47.1321 31.5318 -79.286 TIMING: 2887800 CPU: 8615.28, 0.00306749/step Wall: 8615.28, 0.00306749/step, 1.79976 hours remaining, 205.632812 MB of memory in use. ENERGY: 2887800 769.2233 2062.8793 1953.7555 100.0085 -205911.7295 17683.7540 0.0000 0.0000 34081.2597 -149260.8492 297.6401 -183342.1088 -149171.8694 299.1502 -170.6183 -136.1574 559218.4263 11.7566 11.8464 PRESSURE: 2888000 112.299 -0.795896 110.581 -0.794828 17.0363 -32.6778 110.581 -32.6777 -243.82 GPRESSURE: 2888000 128.449 6.98196 71.3377 -5.88253 32.9505 -6.0885 134.217 -42.1809 -173.699 PRESSAVG: 2888000 55.5522 -24.3991 -19.1704 -24.3992 8.00538 32.8999 -19.1705 32.8999 -30.0298 GPRESSAVG: 2888000 55.9994 -24.4512 -19.0946 -23.2693 8.32811 33.1342 -19.4254 31.0995 -30.8591 TIMING: 2888000 CPU: 8615.89, 0.00302882/step Wall: 8615.89, 0.00302882/step, 1.77691 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: 2888000 724.5165 2043.0213 1939.5783 120.4616 -206119.7484 17791.1908 0.0000 0.0000 34136.3178 -149364.6622 298.1210 -183500.9800 -149271.8672 298.3668 -38.1616 -4.0998 557373.3943 11.1759 11.1562 PRESSURE: 2888200 102.317 60.7931 -93.8569 60.793 -132.286 13.9718 -93.8586 13.9713 -224.653 GPRESSURE: 2888200 82.4884 84.7308 -76.8128 87.4378 -102.224 -32.3699 -117.097 6.71281 -152.434 PRESSAVG: 2888200 72.5397 32.5688 17.5094 32.5687 18.5518 -46.8868 17.5093 -46.8869 -99.8502 GPRESSAVG: 2888200 71.3645 31.6967 17.6206 31.8994 18.6536 -45.6486 16.9403 -47.9471 -99.0706 TIMING: 2888200 CPU: 8616.5, 0.00309445/step Wall: 8616.5, 0.00309445/step, 1.81524 hours remaining, 205.632812 MB of memory in use. ENERGY: 2888200 731.3569 2070.9780 1935.4056 117.0844 -206159.0456 17719.0137 0.0000 0.0000 34072.0117 -149513.1953 297.5594 -183585.2070 -149412.5020 297.9668 -84.8743 -57.3898 557704.3838 -2.9196 -3.0175 LDB: ============= START OF LOAD BALANCING ============== 8619.94 LDB: ============== END OF LOAD BALANCING =============== 8619.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8619.95 LDB: ============= START OF LOAD BALANCING ============== 8620.25 LDB: Largest compute 4819 load 0.028832 is 24.4% of average load 0.118062 LDB: Average compute 0.001734 is 1.5% of average load 0.118062 LDB: TIME 8620.25 LOAD: AVG 0.118062 MAX 0.211004 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 8620.25 LOAD: AVG 0.118062 MAX 0.211004 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 8620.25 LOAD: AVG 0.118062 MAX 0.211004 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8620.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8620.26 PRESSURE: 2888400 -377.417 -82.4428 48.9355 -82.4433 -139.124 -13.0419 48.9349 -13.0425 -33.2417 GPRESSURE: 2888400 -282.571 -78.9371 5.1488 -107.727 -109.853 -10.8106 155.703 -47.3982 -60.1359 PRESSAVG: 2888400 -11.9723 32.3762 -13.3634 32.3762 8.48949 21.7842 -13.3634 21.7842 23.0221 GPRESSAVG: 2888400 -12.1142 33.4871 -14.102 30.9192 7.85393 21.458 -12.5836 22.6551 24.0537 TIMING: 2888400 CPU: 8617.13, 0.00312836/step Wall: 8617.13, 0.00312836/step, 1.83496 hours remaining, 206.707031 MB of memory in use. ENERGY: 2888400 735.9180 2084.7257 1923.5950 112.8777 -205879.7277 17441.1691 0.0000 0.0000 34150.9405 -149430.5017 298.2487 -183581.4421 -149335.7614 298.0636 -183.2607 -150.8535 558137.5288 6.5131 6.5978 PRESSURE: 2888600 -358.267 -17.2917 242.349 -17.2931 -366.503 -48.9892 242.348 -48.9901 -77.3615 GPRESSURE: 2888600 -364.063 -0.277517 215.246 38.5918 -278.12 -62.644 198.65 -50.5113 -60.5998 PRESSAVG: 2888600 -53.3338 -6.66754 35.0726 -6.66758 -21.4892 -44.7157 35.0727 -44.7155 81.2189 GPRESSAVG: 2888600 -52.0269 -7.41187 37.4806 -3.66954 -21.2725 -44.5123 32.2955 -45.8442 79.4542 TIMING: 2888600 CPU: 8617.74, 0.00304066/step Wall: 8617.74, 0.00304066/step, 1.78335 hours remaining, 206.707031 MB of memory in use. ENERGY: 2888600 719.1378 2085.9020 1971.8402 111.0892 -205670.1821 17350.3401 0.0000 0.0000 34111.0694 -149320.8035 297.9005 -183431.8729 -149223.6770 298.6814 -267.3770 -234.2610 558775.6806 2.1320 2.0516 PRESSURE: 2888800 364.206 -117.887 0.0545921 -117.886 -215.223 -56.1691 0.0541406 -56.1691 42.1387 GPRESSURE: 2888800 366.086 -54.0886 105.483 -180.797 -161.971 -158.824 -78.3054 16.0186 73.2123 PRESSAVG: 2888800 75.8697 -25.6525 16.5035 -25.6525 -129.942 1.12321 16.5036 1.12323 84.2843 GPRESSAVG: 2888800 75.3156 -25.7835 14.8456 -27.2104 -129.344 0.177094 17.1331 3.18486 84.242 TIMING: 2888800 CPU: 8618.34, 0.00301657/step Wall: 8618.34, 0.00301657/step, 1.76905 hours remaining, 206.707031 MB of memory in use. ENERGY: 2888800 713.3052 2030.1547 1919.8777 103.0524 -206198.9161 17705.6959 0.0000 0.0000 34218.2672 -149508.5631 298.8366 -183726.8303 -149418.8590 298.5396 63.7071 92.4426 555180.9770 10.0707 10.0714 PRESSURE: 2889000 142.793 -182.901 -113.691 -182.9 -215.299 68.4549 -113.69 68.4575 13.8953 GPRESSURE: 2889000 128.513 -160.468 -163.406 -214.802 -175.008 123.139 -42.2331 55.0845 85.6363 PRESSAVG: 2889000 94.0961 -29.1549 37.637 -29.1549 -92.0125 2.45616 37.6371 2.45616 -1.05155 GPRESSAVG: 2889000 94.1993 -31.9399 38.1483 -28.6189 -92.1895 1.76979 39.2737 0.569394 -1.65053 TIMING: 2889000 CPU: 8618.95, 0.00303007/step Wall: 8618.95, 0.00303007/step, 1.7768 hours remaining, 206.707031 MB of memory in use. ENERGY: 2889000 738.6274 2059.7829 1933.2507 110.4506 -206425.5056 17804.3203 0.0000 0.0000 34347.4884 -149431.5853 299.9652 -183779.0737 -149337.2977 298.8396 -19.5370 13.0473 556939.8246 0.3440 0.1198 PRESSURE: 2889200 90.1765 57.3035 -197.342 57.3028 -367.426 110.967 -197.343 110.968 26.9044 GPRESSURE: 2889200 167.531 21.574 -245.293 111.775 -308.413 165.77 -124.63 195.134 0.720779 PRESSAVG: 2889200 -22.2972 -68.2896 -32.4379 -68.2895 -4.13137 53.6603 -32.4379 53.6603 49.3161 GPRESSAVG: 2889200 -22.706 -66.0586 -32.2252 -70.4381 -4.9924 54.2336 -34.499 56.1545 50.5426 TIMING: 2889200 CPU: 8619.55, 0.00301959/step Wall: 8619.55, 0.00301959/step, 1.77049 hours remaining, 206.707031 MB of memory in use. ENERGY: 2889200 704.9872 2089.8501 1937.0378 105.0653 -206399.1787 17707.5181 0.0000 0.0000 34347.5397 -149507.1806 299.9656 -183854.7203 -149414.4812 299.0291 -83.4485 -46.7203 557174.8485 7.6292 7.6147 PRESSURE: 2889400 -335.309 -75.5361 34.2166 -75.5372 -9.57822 -4.64619 34.2154 -4.64606 14.9839 GPRESSURE: 2889400 -268.088 -134.521 27.5758 -72.403 -56.7071 43.9748 17.7046 54.4199 88.97 PRESSAVG: 2889400 60.0397 11.8808 -33.0187 11.8808 -110.75 39.3944 -33.0188 39.3945 55.6123 GPRESSAVG: 2889400 59.7396 9.93119 -36.6887 12.066 -110.904 38.7551 -30.0711 39.4723 55.9273 TIMING: 2889400 CPU: 8620.16, 0.00302502/step Wall: 8620.16, 0.00302502/step, 1.7735 hours remaining, 206.707031 MB of memory in use. ENERGY: 2889400 720.8762 2098.4181 1932.7135 119.0054 -206025.2657 17647.6387 0.0000 0.0000 33937.1344 -149569.4795 296.3814 -183506.6140 -149472.3326 298.2391 -109.9679 -78.6085 557515.1903 1.6339 1.5875 PRESSURE: 2889600 -160.029 -104.649 75.6936 -104.65 -41.4725 70.7954 75.6947 70.7967 297.572 GPRESSURE: 2889600 -87.7979 -107.491 36.3417 -10.476 -81.5937 43.488 89.1015 155.362 365.464 PRESSAVG: 2889600 4.42142 -5.04223 -14.991 -5.04223 -33.2913 24.1087 -14.991 24.1087 79.0082 GPRESSAVG: 2889600 4.55873 -2.10138 -11.7883 -5.19653 -33.1721 24.9371 -14.8002 21.3502 78.3116 TIMING: 2889600 CPU: 8620.77, 0.00304496/step Wall: 8620.77, 0.00304496/step, 1.78502 hours remaining, 206.707031 MB of memory in use. ENERGY: 2889600 757.6256 2040.7486 1937.2179 106.7602 -206050.9946 17722.2907 0.0000 0.0000 34156.1158 -149330.2357 298.2939 -183486.3515 -149237.1107 298.8140 32.0236 65.3575 557613.2972 16.7128 16.5661 PRESSURE: 2889800 50.5646 20.3733 -4.38763 20.3738 27.9575 -151.844 -4.38918 -151.845 48.4859 GPRESSURE: 2889800 104.365 36.3833 21.5405 66.5345 65.5743 -180.718 3.3543 -136.37 55.4835 PRESSAVG: 2889800 67.6691 -10.6982 -26.4867 -10.6982 -14.5978 52.4848 -26.4867 52.4849 -14.4287 GPRESSAVG: 2889800 67.077 -10.1244 -26.4291 -9.74529 -14.3211 52.7061 -25.9044 54.1502 -13.3884 TIMING: 2889800 CPU: 8621.37, 0.00302385/step Wall: 8621.37, 0.00302385/step, 1.77248 hours remaining, 206.707031 MB of memory in use. ENERGY: 2889800 736.2050 2102.5444 1934.2145 111.6411 -206382.3773 17922.6849 0.0000 0.0000 34366.1313 -149208.9560 300.1280 -183575.0873 -149107.1628 299.5512 42.3360 75.1410 555865.9848 12.8809 13.1225 PRESSURE: 2890000 -204.055 66.6054 42.9724 66.6068 -195.362 15.068 42.9706 15.0688 -14.0307 GPRESSURE: 2890000 -123.996 78.5366 26.6696 141.656 -194.296 52.8897 13.7417 -11.9017 16.6168 PRESSAVG: 2890000 -27.8121 24.5912 15.1759 24.5912 -60.5079 -5.01075 15.1759 -5.01062 61.2441 GPRESSAVG: 2890000 -27.2531 24.3257 14.9081 23.1493 -60.3921 -4.52857 12.2945 -5.51766 61.1773 TIMING: 2890000 CPU: 8621.97, 0.00302037/step Wall: 8621.97, 0.00302037/step, 1.77027 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: 2890000 748.1746 2046.7136 1943.1630 110.6628 -206106.3240 17711.8912 0.0000 0.0000 34250.3458 -149295.3731 299.1168 -183545.7189 -149195.7989 298.8772 -137.8159 -100.5583 557686.0372 -9.0253 -8.8226 PRESSURE: 2890200 -388.628 83.6804 -38.3059 83.68 -8.20959 -48.769 -38.3058 -48.7663 -116.306 GPRESSURE: 2890200 -299.289 88.1399 -102.506 105.352 42.3852 -41.9839 59.2295 28.4418 -149.915 PRESSAVG: 2890200 -37.7963 6.11519 7.6925 6.11517 -0.72098 -8.05418 7.69246 -8.05409 52.0089 GPRESSAVG: 2890200 -37.6556 4.08567 8.62303 8.62114 -0.819229 -8.29827 8.42451 -8.33346 51.6336 TIMING: 2890200 CPU: 8622.58, 0.00302893/step Wall: 8622.58, 0.00302893/step, 1.77512 hours remaining, 206.707031 MB of memory in use. ENERGY: 2890200 756.3456 2061.1952 1968.0525 113.0913 -206056.6213 17721.7259 0.0000 0.0000 34189.0995 -149247.1111 298.5819 -183436.2106 -149145.8201 299.3854 -171.0476 -135.6062 559181.2131 4.4972 4.3863 PRESSURE: 2890400 153.416 194.555 -209.023 194.554 -66.8382 44.0036 -209.023 44.0029 12.0622 GPRESSURE: 2890400 107.953 96.808 -212.958 320.039 -15.0025 22.8557 -236.943 97.72 103.41 PRESSAVG: 2890400 -2.84724 -25.2681 -53.8515 -25.2681 -61.5568 -43.4276 -53.8516 -43.4275 68.8955 GPRESSAVG: 2890400 -3.0254 -24.719 -55.6721 -27.4997 -61.8112 -45.4173 -55.5693 -41.2826 69.9367 TIMING: 2890400 CPU: 8623.19, 0.00303448/step Wall: 8623.19, 0.00303448/step, 1.77821 hours remaining, 206.707031 MB of memory in use. ENERGY: 2890400 762.2773 2033.6517 1980.4496 103.6392 -206334.6589 17923.4049 0.0000 0.0000 34309.0828 -149222.1534 299.6298 -183531.2362 -149129.0287 299.1592 32.8801 65.4534 556806.9332 1.4972 1.7000 PRESSURE: 2890600 -335.973 73.7313 -32.2448 73.7316 107.766 -45.5057 -32.2448 -45.5058 -124.854 GPRESSURE: 2890600 -297.351 80.1287 33.7905 14.8929 146.64 -148.868 -25.7602 17.5833 -112.217 PRESSAVG: 2890600 8.33375 -29.6608 -5.39048 -29.6607 -10.8565 16.1833 -5.3905 16.1835 -7.36873 GPRESSAVG: 2890600 8.43716 -30.4611 -5.93491 -27.9084 -10.4341 15.7519 -1.13242 14.964 -7.89204 TIMING: 2890600 CPU: 8623.8, 0.00306298/step Wall: 8623.8, 0.00306298/step, 1.79474 hours remaining, 206.707031 MB of memory in use. ENERGY: 2890600 757.0274 2100.6808 1982.1217 128.0151 -205933.9898 17645.2292 0.0000 0.0000 34247.7520 -149073.1636 299.0941 -183320.9156 -148973.1718 300.1199 -117.6871 -87.6427 557695.3181 -3.2971 -3.2963 PRESSURE: 2890800 -279.766 44.7584 -152.851 44.7587 -176.092 -61.5851 -152.851 -61.5836 -87.1984 GPRESSURE: 2890800 -234.622 51.9591 -144.833 64.7045 -142.827 -86.7355 -187.19 -23.48 -69.7916 PRESSAVG: 2890800 28.2071 -2.78534 -53.0465 -2.7853 7.87188 -38.4485 -53.0466 -38.4485 -63.2543 GPRESSAVG: 2890800 27.3793 -1.26983 -50.0696 -5.40749 9.01377 -37.53 -55.8007 -40.9127 -63.6883 TIMING: 2890800 CPU: 8624.41, 0.00306336/step Wall: 8624.41, 0.00306336/step, 1.79479 hours remaining, 206.707031 MB of memory in use. ENERGY: 2890800 743.9060 2140.6731 1966.1206 109.0000 -205723.8790 17532.7050 0.0000 0.0000 34145.2254 -149086.2489 298.1987 -183231.4743 -148994.6782 300.1131 -181.0187 -149.0801 559026.2622 -9.0584 -9.0984 PRESSURE: 2891000 72.5814 -37.1678 32.8579 -37.168 -6.75707 -86.6887 32.8578 -86.6903 -153.432 GPRESSURE: 2891000 66.257 -24.588 28.3482 -30.8191 74.5015 -57.6895 -39.2004 -2.67652 -135.489 PRESSAVG: 2891000 -14.0905 29.4816 -15.7016 29.4816 34.8652 -30.2132 -15.7016 -30.213 -34.0308 GPRESSAVG: 2891000 -13.5617 27.8097 -17.4784 32.3511 34.6986 -29.2671 -14.7891 -28.0438 -34.8771 TIMING: 2891000 CPU: 8625.02, 0.00302288/step Wall: 8625.02, 0.00302288/step, 1.7709 hours remaining, 206.707031 MB of memory in use. ENERGY: 2891000 741.9128 2112.2671 1938.8732 118.3724 -206167.5797 17842.3180 0.0000 0.0000 34425.6563 -148988.1799 300.6478 -183413.8362 -148888.0829 299.5034 -29.2026 1.7565 557255.3037 -4.4187 -4.5801 PRESSURE: 2891200 92.9091 54.4338 144.192 54.4326 265.616 13.3397 144.194 13.3395 35.0761 GPRESSURE: 2891200 154.052 56.3221 169.495 46.5926 301.114 70.6953 102.153 38.9889 39.9988 PRESSAVG: 2891200 3.13833 2.77689 -24.7451 2.77681 49.3291 30.8501 -24.745 30.8501 -6.9766 GPRESSAVG: 2891200 2.54784 3.08953 -25.2198 3.20318 49.2163 30.0896 -22.2898 29.8006 -6.43601 TIMING: 2891200 CPU: 8625.62, 0.00301003/step Wall: 8625.62, 0.00301003/step, 1.76321 hours remaining, 206.707031 MB of memory in use. ENERGY: 2891200 725.3129 2089.2677 1975.9130 104.6789 -205957.9225 17855.0242 0.0000 0.0000 34173.5088 -149034.2169 298.4458 -183207.7256 -148935.2409 300.5632 131.2003 165.0549 557872.9746 15.1636 15.1094 PRESSURE: 2891400 -82.5925 -18.9684 -166.105 -18.9675 -26.9408 170.697 -166.106 170.697 -66.9628 GPRESSURE: 2891400 -130.42 46.1499 -201.685 -36.0776 26.2138 214.225 -98.3466 156.004 24.237 PRESSAVG: 2891400 2.48527 -4.01219 -13.3842 -4.01232 13.5956 28.0454 -13.3842 28.0454 -20.7052 GPRESSAVG: 2891400 2.04098 -2.38475 -12.1159 -4.8931 13.5916 29.4508 -15.7134 27.9719 -20.1618 TIMING: 2891400 CPU: 8626.23, 0.00306691/step Wall: 8626.23, 0.00306691/step, 1.79636 hours remaining, 206.707031 MB of memory in use. ENERGY: 2891400 753.3365 2125.9284 1929.5966 116.3336 -205810.8800 17637.2773 0.0000 0.0000 34405.1907 -148843.2169 300.4691 -183248.4076 -148743.6617 299.7909 -58.8321 -26.6563 559262.8584 -1.5414 -1.5097 PRESSURE: 2891600 -453.45 179.014 -88.441 179.014 -125.147 -166.849 -88.4419 -166.851 -203.284 GPRESSURE: 2891600 -438.874 189.605 -135.313 171.067 -133.97 -100.772 -125.923 -166.218 -119.232 PRESSAVG: 2891600 -58.2726 30.0393 14.3906 30.0393 42.193 39.6698 14.3906 39.6697 26.1249 GPRESSAVG: 2891600 -58.8611 28.5946 12.0397 29.6335 43.0667 37.5326 14.37 42.0457 25.8978 TIMING: 2891600 CPU: 8626.85, 0.00306605/step Wall: 8626.85, 0.00306605/step, 1.79568 hours remaining, 206.707031 MB of memory in use. ENERGY: 2891600 763.5873 2067.4051 1974.8623 104.4396 -205571.4361 17429.4173 0.0000 0.0000 34201.8428 -149029.8817 298.6932 -183231.7245 -148933.1781 300.2025 -260.6272 -230.6920 559008.5494 3.3484 3.3678 PRESSURE: 2891800 -145.183 84.9123 -62.3741 84.9123 -256.087 -100.814 -62.3742 -100.815 -21.5856 GPRESSURE: 2891800 -82.6408 84.1604 -126.884 81.9939 -223.58 -105.992 -25.1343 -56.7254 1.73204 PRESSAVG: 2891800 -96.3425 22.4788 -11.8106 22.4787 67.7328 52.1193 -11.8106 52.1193 28.8627 GPRESSAVG: 2891800 -95.0291 21.5742 -12.1463 22.6074 65.8766 51.7042 -11.7445 50.1158 29.178 TIMING: 2891800 CPU: 8627.46, 0.00304901/step Wall: 8627.46, 0.00304901/step, 1.78553 hours remaining, 206.707031 MB of memory in use. ENERGY: 2891800 737.7232 2110.1354 1932.8752 117.0395 -205516.5756 17466.2815 0.0000 0.0000 34172.3452 -148980.1757 298.4356 -183152.5208 -148892.6941 299.8033 -140.9517 -101.4961 558256.8985 0.0843 0.0085 PRESSURE: 2892000 176.524 10.4547 177.261 10.4547 395.299 -56.5428 177.26 -56.5441 124.942 GPRESSURE: 2892000 169.151 25.2527 163.332 -75.3492 422.571 -86.6072 149.152 -18.2223 206.789 PRESSAVG: 2892000 -10.1302 36.176 -5.69947 36.176 34.2578 36.0199 -5.69954 36.02 -12.8869 GPRESSAVG: 2892000 -11.8775 36.908 -3.31329 35.2354 35.0359 36.6038 -5.43559 37.4 -11.9776 TIMING: 2892000 CPU: 8628.06, 0.00301372/step Wall: 8628.06, 0.00301372/step, 1.7647 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: 2892000 761.9790 2148.6749 1926.6130 103.0839 -206234.6643 18090.6309 0.0000 0.0000 34112.7563 -149090.9262 297.9152 -183203.6825 -148997.8145 299.6405 232.2549 266.1706 557285.0673 3.7469 3.7270 PRESSURE: 2892200 -259.649 -106.506 3.99968 -106.507 78.1784 95.3947 3.99949 95.3944 -154.79 GPRESSURE: 2892200 -223.15 -30.2277 -75.6937 -83.1908 106.947 11.595 -32.7739 158.56 -123.847 PRESSAVG: 2892200 -15.4523 -27.7085 5.93473 -27.7086 -18.2002 -29.387 5.93467 -29.387 39.1808 GPRESSAVG: 2892200 -13.6743 -27.6479 6.14042 -25.7842 -18.3363 -29.074 3.21366 -30.029 38.0796 TIMING: 2892200 CPU: 8628.66, 0.00302554/step Wall: 8628.66, 0.00302554/step, 1.77145 hours remaining, 206.707031 MB of memory in use. ENERGY: 2892200 715.7926 2110.4080 1975.6657 107.5491 -205894.8316 17521.0781 0.0000 0.0000 34316.4986 -149147.8395 299.6945 -183464.3381 -149054.1168 300.1802 -112.0872 -80.0164 558747.6717 1.8428 2.0230 LDB: ============= START OF LOAD BALANCING ============== 8632.1 LDB: ============== END OF LOAD BALANCING =============== 8632.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8632.1 LDB: ============= START OF LOAD BALANCING ============== 8632.4 LDB: Largest compute 4819 load 0.028351 is 24.0% of average load 0.117943 LDB: Average compute 0.001728 is 1.5% of average load 0.117943 LDB: TIME 8632.41 LOAD: AVG 0.117943 MAX 0.211021 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.715 MB LDB: TIME 8632.41 LOAD: AVG 0.117943 MAX 0.211021 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.715 MB LDB: TIME 8632.41 LOAD: AVG 0.117943 MAX 0.211021 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.715 MB LDB: ============== END OF LOAD BALANCING =============== 8632.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8632.41 PRESSURE: 2892400 113.328 15.2441 -184.372 15.2444 24.5 -106.218 -184.373 -106.219 -119.436 GPRESSURE: 2892400 132.194 52.1586 -154.885 57.8986 25.9718 -168.273 -214.189 -106.469 -50.3416 PRESSAVG: 2892400 -15.3557 -20.7621 67.5545 -20.762 14.0343 12.6661 67.5545 12.6662 -18.046 GPRESSAVG: 2892400 -15.181 -21.3701 66.9147 -20.3487 13.4809 12.6184 71.2554 12.0547 -17.2811 TIMING: 2892400 CPU: 8629.28, 0.00309451/step Wall: 8629.28, 0.00309451/step, 1.81166 hours remaining, 204.917969 MB of memory in use. ENERGY: 2892400 806.4958 2100.0056 1947.2266 116.5071 -206427.8395 17920.2738 0.0000 0.0000 34370.2238 -149167.1069 300.1637 -183537.3306 -149070.9188 299.2929 6.1308 35.9413 557048.3781 -6.4558 -6.3271 PRESSURE: 2892600 -97.6645 11.7048 -29.406 11.7029 -28.1111 178.466 -29.4055 178.465 61.9578 GPRESSURE: 2892600 -63.5541 91.219 -106.981 5.60584 -22.3208 154.937 24.6158 171.801 132.745 PRESSAVG: 2892600 -35.7305 -0.421277 -32.0645 -0.421302 30.4635 -2.65131 -32.0645 -2.6515 28.8217 GPRESSAVG: 2892600 -36.6031 -2.83302 -33.5132 1.6815 31.35 -1.58023 -32.2434 -2.51195 28.159 TIMING: 2892600 CPU: 8629.89, 0.00303753/step Wall: 8629.89, 0.00303753/step, 1.77813 hours remaining, 204.917969 MB of memory in use. ENERGY: 2892600 808.0951 2140.8686 1945.2447 107.4479 -206271.3083 17775.1573 0.0000 0.0000 34326.0610 -149168.4336 299.7780 -183494.4946 -149069.8037 300.0299 -21.2726 15.6235 556212.7739 7.8516 7.6353 PRESSURE: 2892800 77.7178 77.5632 27.8163 77.5643 -31.1395 -50.004 27.8173 -50.0043 200.485 GPRESSURE: 2892800 68.1467 91.0603 83.7147 61.212 63.7296 -66.2463 14.2629 -76.9874 207.717 PRESSAVG: 2892800 21.3636 28.6085 -35.5963 28.6086 29.2098 -11.3697 -35.5964 -11.3698 34.8857 GPRESSAVG: 2892800 21.4073 30.9733 -33.9042 26.7189 29.4304 -12.8553 -37.983 -11.8755 34.539 TIMING: 2892800 CPU: 8630.49, 0.00301888/step Wall: 8630.49, 0.00301888/step, 1.76705 hours remaining, 204.917969 MB of memory in use. ENERGY: 2892800 748.8981 2120.9127 1950.2568 125.5917 -206526.4712 17912.4994 0.0000 0.0000 34239.6465 -149428.6660 299.0233 -183668.3124 -149337.5581 299.5692 82.3545 113.1978 556631.0254 28.4863 28.4589 PRESSURE: 2893000 -124.724 -31.5189 -122.654 -31.5177 -52.303 45.644 -122.655 45.644 84.1416 GPRESSURE: 2893000 -48.7912 -44.8424 -133.324 11.4055 -39.6219 10.6942 -81.0798 105.141 98.1201 PRESSAVG: 2893000 83.3112 5.42458 17.289 5.42458 -46.7197 -0.395719 17.289 -0.395749 -15.647 GPRESSAVG: 2893000 83.1612 6.4228 17.3762 4.06937 -46.6732 0.814035 17.51 -0.569481 -16.1752 TIMING: 2893000 CPU: 8631.1, 0.00301844/step Wall: 8631.1, 0.00301844/step, 1.76662 hours remaining, 204.917969 MB of memory in use. ENERGY: 2893000 747.2836 2081.6187 1950.5962 122.5751 -206209.8525 17840.0397 0.0000 0.0000 34120.3277 -149347.4116 297.9813 -183467.7393 -149251.5987 298.3066 -30.9619 3.2357 558512.6391 6.9815 6.7709 PRESSURE: 2893200 -18.9906 32.2269 91.1801 32.2268 208.015 -66.4021 91.1803 -66.402 -60.6452 GPRESSURE: 2893200 16.6411 -36.6961 137.675 54.2628 231.921 -144.742 -30.5314 -59.5678 -21.4777 PRESSAVG: 2893200 11.042 45.2589 1.23207 45.2589 48.5511 7.1146 1.23196 7.11459 -13.1046 GPRESSAVG: 2893200 10.6974 42.0918 -0.0381624 44.9416 47.3468 6.42237 1.92468 7.04677 -11.1805 TIMING: 2893200 CPU: 8631.7, 0.00303106/step Wall: 8631.7, 0.00303106/step, 1.77384 hours remaining, 204.917969 MB of memory in use. ENERGY: 2893200 738.6231 2093.9689 1909.7476 114.9569 -206222.5120 17877.9594 0.0000 0.0000 34188.8192 -149298.4368 298.5795 -183487.2561 -149205.7030 298.1026 42.7929 75.6948 557875.2459 15.4962 15.6212 PRESSURE: 2893400 -187.532 -63.9098 47.8419 -63.9108 -317.798 -84.5482 47.8412 -84.5501 137.947 GPRESSURE: 2893400 -143.474 -135.002 29.7004 -41.6329 -192.372 1.05188 11.6484 -101.176 72.0941 PRESSAVG: 2893400 -46.3593 23.929 -22.8966 23.9291 13.2746 2.03597 -22.8966 2.03601 29.763 GPRESSAVG: 2893400 -45.8765 24.1993 -22.8411 25.4417 14.68 2.65321 -22.0437 1.59355 27.7924 TIMING: 2893400 CPU: 8632.31, 0.00304586/step Wall: 8632.31, 0.00304586/step, 1.78234 hours remaining, 204.917969 MB of memory in use. ENERGY: 2893400 766.0452 2045.8292 1954.1581 103.2637 -205669.1940 17508.1666 0.0000 0.0000 34155.4891 -149136.2422 298.2884 -183291.7313 -149042.9695 298.7656 -122.4609 -87.9173 557011.5402 -1.1073 -1.1347 PRESSURE: 2893600 -113.28 35.3775 -20.543 35.378 -163.207 -89.6044 -20.5438 -89.6052 9.51616 GPRESSURE: 2893600 -54.7787 99.1153 23.7782 36.6583 -115.737 -43.0699 6.46289 -116.645 0.871565 PRESSAVG: 2893600 -31.1702 -42.2083 -26.138 -42.2084 26.674 -20.7225 -26.1379 -20.7225 28.9131 GPRESSAVG: 2893600 -31.2737 -41.712 -27.1107 -43.5812 26.8501 -21.1298 -26.9822 -19.2374 29.34 TIMING: 2893600 CPU: 8632.92, 0.00304904/step Wall: 8632.92, 0.00304904/step, 1.78403 hours remaining, 204.917969 MB of memory in use. ENERGY: 2893600 737.4452 2096.2447 1930.1396 110.9354 -205943.3789 17584.6180 0.0000 0.0000 34448.3190 -149035.6769 300.8457 -183483.9959 -148933.1365 298.9830 -88.9906 -56.5480 557020.8227 8.1390 8.3055 PRESSURE: 2893800 -218.936 -5.36506 -246.41 -5.36532 32.9502 -36.423 -246.411 -36.4229 64.3833 GPRESSURE: 2893800 -132.426 23.0712 -123.928 -27.6366 53.1928 -41.6266 -264.304 -42.4051 61.2595 PRESSAVG: 2893800 4.63519 -3.9115 -58.2904 -3.91143 20.3275 -9.07643 -58.2905 -9.0765 -2.34939 GPRESSAVG: 2893800 5.14491 -3.52553 -57.1103 -2.72347 20.5546 -10.4026 -57.5571 -6.69863 -2.31523 TIMING: 2893800 CPU: 8633.53, 0.0030363/step Wall: 8633.53, 0.0030363/step, 1.77641 hours remaining, 204.917969 MB of memory in use. ENERGY: 2893800 781.6923 2112.6319 1974.7429 106.4795 -206221.3094 17750.6433 0.0000 0.0000 34433.0926 -149062.0269 300.7128 -183495.1194 -148970.1379 299.5380 -40.5341 -5.9911 558164.6553 7.5378 7.7948 PRESSURE: 2894000 64.804 -93.8173 -196.517 -93.8165 81.7602 -76.2066 -196.517 -76.206 -191.273 GPRESSURE: 2894000 72.4849 -21.8853 -117.208 -92.2193 74.9155 -42.6937 -264.98 -69.9432 -96.051 PRESSAVG: 2894000 3.01465 -10.6989 -44.306 -10.699 48.7421 -15.0511 -44.3059 -15.0512 -43.3644 GPRESSAVG: 2894000 2.12252 -7.0113 -43.1144 -13.6181 48.9125 -14.6513 -43.7854 -17.2193 -42.6485 TIMING: 2894000 CPU: 8634.14, 0.00303419/step Wall: 8634.14, 0.00303419/step, 1.775 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: 2894000 779.3794 2072.0342 1952.8931 114.9709 -206359.0924 17798.1412 0.0000 0.0000 34374.0352 -149267.6383 300.1970 -183641.6735 -149168.1380 299.1191 -14.9028 17.1165 557324.6823 2.7975 2.7955 PRESSURE: 2894200 -20.0804 44.7606 72.4299 44.7599 -16.3639 100.909 72.4307 100.911 -106.268 GPRESSURE: 2894200 27.2915 57.1483 65.3511 32.8403 -17.4801 80.2504 87.7683 28.2041 -53.8295 PRESSAVG: 2894200 -56.026 65.6807 11.5792 65.6807 21.3895 -33.4318 11.5792 -33.4319 32.1501 GPRESSAVG: 2894200 -54.1882 62.9057 11.5703 68.1815 19.6112 -32.972 9.84511 -35.6267 31.8556 TIMING: 2894200 CPU: 8634.74, 0.00304054/step Wall: 8634.74, 0.00304054/step, 1.77855 hours remaining, 204.917969 MB of memory in use. ENERGY: 2894200 762.0554 2090.1551 1926.3024 109.3313 -206673.3710 17989.3787 0.0000 0.0000 34392.2713 -149403.8769 300.3563 -183796.1482 -149301.1351 299.4224 -47.5707 -14.6727 557757.4978 -0.8288 -0.9071 PRESSURE: 2894400 -5.03394 5.58312 -3.03865 5.58293 -75.9553 177.36 -3.03809 177.362 -85.1466 GPRESSURE: 2894400 60.9028 17.1615 -17.5196 -27.3556 -74.0568 -2.49861 0.170426 204.59 -52.4965 PRESSAVG: 2894400 11.4949 13.0341 6.97864 13.0342 -55.9625 50.3328 6.97869 50.3327 3.563 GPRESSAVG: 2894400 10.5409 12.615 7.18969 12.0451 -55.3034 51.1812 8.3105 50.1973 3.54887 TIMING: 2894400 CPU: 8635.35, 0.00300571/step Wall: 8635.35, 0.00300571/step, 1.75801 hours remaining, 204.917969 MB of memory in use. ENERGY: 2894400 735.2011 2124.2967 1957.8961 112.2818 -206224.4344 17667.1679 0.0000 0.0000 34395.0906 -149232.5002 300.3809 -183627.5908 -149137.1203 299.2350 -55.3786 -21.8835 558035.9196 -13.6349 -13.7379 PRESSURE: 2894600 -9.11116 58.4726 -76.4243 58.474 -242.18 -77.4733 -76.4243 -77.4742 -153.065 GPRESSURE: 2894600 46.3443 119.482 -1.8409 -24.7067 -193.471 -19.1222 -80.6583 -85.3046 -164.679 PRESSAVG: 2894600 8.17592 -31.5147 26.5692 -31.5146 22.8734 42.2062 26.5692 42.2062 11.9398 GPRESSAVG: 2894600 6.7105 -30.7976 28.1442 -31.9977 24.3783 42.6921 27.7342 42.7883 11.7756 TIMING: 2894600 CPU: 8635.95, 0.00304498/step Wall: 8635.95, 0.00304498/step, 1.7808 hours remaining, 204.917969 MB of memory in use. ENERGY: 2894600 764.5407 2124.7904 1957.2776 105.4209 -206255.4546 17732.3362 0.0000 0.0000 34407.1304 -149163.9584 300.4860 -183571.0887 -149058.7667 299.9128 -134.7853 -103.9354 558281.8459 14.3297 14.2881 PRESSURE: 2894800 -172.571 53.686 45.6534 53.6858 -138.309 -33.341 45.6519 -33.3417 18.3291 GPRESSURE: 2894800 -150.004 5.39872 28.191 85.1731 -96.0817 -149.394 154.297 14.553 59.1974 PRESSAVG: 2894800 17.7974 21.9406 -38.4053 21.9406 -16.9638 -54.1384 -38.4053 -54.1384 -10.8599 GPRESSAVG: 2894800 18.9491 22.2988 -39.3328 21.4167 -17.5709 -55.132 -40.4798 -53.3093 -11.3611 TIMING: 2894800 CPU: 8636.56, 0.00303001/step Wall: 8636.56, 0.00303001/step, 1.77188 hours remaining, 204.917969 MB of memory in use. ENERGY: 2894800 769.7480 2110.2141 1940.5742 109.1103 -205796.4763 17610.3664 0.0000 0.0000 34303.9035 -148952.5597 299.5845 -183256.4632 -148848.7684 300.1626 -97.5171 -62.2960 557287.5041 -3.3421 -3.3276 PRESSURE: 2895000 52.4105 -27.46 -14.4627 -27.4608 6.99394 -68.8612 -14.4618 -68.862 216.046 GPRESSURE: 2895000 72.7724 -46.3913 67.43 -68.6224 93.9843 -108.339 -24.7694 -125.012 212.404 PRESSAVG: 2895000 5.81512 8.17266 5.73267 8.17261 4.99349 -79.2462 5.73276 -79.2461 3.9823 GPRESSAVG: 2895000 4.50021 7.04603 6.35172 11.8729 5.97102 -79.2191 7.49833 -79.9216 4.62217 TIMING: 2895000 CPU: 8637.17, 0.0030435/step Wall: 8637.17, 0.0030435/step, 1.7796 hours remaining, 204.917969 MB of memory in use. ENERGY: 2895000 745.8919 2182.2829 1946.0485 124.9323 -206431.1141 17965.8310 0.0000 0.0000 34382.7023 -149083.4252 300.2727 -183466.1275 -148987.5465 299.7479 91.8169 126.3870 556834.8866 4.9303 5.0311 PRESSURE: 2895200 79.9578 138.283 169.084 138.282 63.1453 17.4573 169.084 17.4563 127.592 GPRESSURE: 2895200 102.723 160.942 14.0834 169.476 94.5985 27.3829 256.076 52.8861 171.552 PRESSAVG: 2895200 9.20812 14.8987 0.764648 14.8986 -15.8071 -26.6218 0.764624 -26.6218 12.0293 GPRESSAVG: 2895200 11.6362 14.4415 -2.20319 13.9627 -16.823 -26.1444 -0.499337 -26.8341 10.706 TIMING: 2895200 CPU: 8637.78, 0.00304258/step Wall: 8637.78, 0.00304258/step, 1.7789 hours remaining, 204.917969 MB of memory in use. ENERGY: 2895200 726.5093 2151.7121 1952.6115 116.5969 -206709.4341 18203.3556 0.0000 0.0000 34423.3998 -149135.2489 300.6281 -183558.6488 -149034.2217 300.0877 90.2319 122.9576 558100.5263 1.8101 1.8397 PRESSURE: 2895400 211.882 27.5582 194.254 27.5586 -35.3605 -66.3626 194.256 -66.3639 21.7563 GPRESSURE: 2895400 231.637 11.2573 264.221 -14.8585 7.13998 -91.0229 91.8185 -25.4158 57.3083 PRESSAVG: 2895400 51.805 49.6705 4.84836 49.6706 1.1953 2.98143 4.8483 2.98137 -42.2465 GPRESSAVG: 2895400 50.4157 48.9215 7.27099 48.3953 1.36343 2.618 3.99797 4.33837 -41.3916 TIMING: 2895400 CPU: 8638.38, 0.0030267/step Wall: 8638.38, 0.0030267/step, 1.76944 hours remaining, 204.917969 MB of memory in use. ENERGY: 2895400 739.1761 2125.8747 1946.8542 111.9610 -206155.3191 17777.7101 0.0000 0.0000 34201.7807 -149251.9624 298.6927 -183453.7430 -149155.2939 299.3948 66.0927 98.6951 556058.5553 3.5846 3.4625 PRESSURE: 2895600 78.6937 84.5044 -46.2197 84.505 89.2281 26.8802 -46.2214 26.8809 -247.838 GPRESSURE: 2895600 94.8709 -6.09188 -3.33139 154.24 80.2442 51.2541 -2.74312 20.1408 -169.125 PRESSAVG: 2895600 -16.2692 27.2699 -83.2534 27.27 20.2719 15.1561 -83.2534 15.1562 -7.29966 GPRESSAVG: 2895600 -15.7532 27.891 -82.7051 28.6947 19.6393 14.9365 -81.0479 14.4019 -7.08888 TIMING: 2895600 CPU: 8638.99, 0.00302372/step Wall: 8638.99, 0.00302372/step, 1.76753 hours remaining, 204.917969 MB of memory in use. ENERGY: 2895600 755.0514 2140.1272 1953.5814 110.5666 -206208.7349 17709.6314 0.0000 0.0000 34201.2853 -149338.4917 298.6883 -183539.7770 -149246.9580 299.3881 -26.6389 1.9966 556423.5977 -1.0990 -1.0676 PRESSURE: 2895800 -279.758 13.8397 -301.921 13.8388 -188.093 -203.542 -301.92 -203.543 -105.762 GPRESSURE: 2895800 -253.988 34.6124 -297.236 -33.8551 -141.81 -315.126 -293.422 -194.529 -83.0121 PRESSAVG: 2895800 -10.3166 -29.8487 -11.7945 -29.8486 23.03 -39.1825 -11.7944 -39.1824 5.786 GPRESSAVG: 2895800 -10.9743 -28.9673 -13.2929 -30.9723 23.6432 -38.6392 -13.8333 -38.1948 5.964 TIMING: 2895800 CPU: 8639.59, 0.00301218/step Wall: 8639.59, 0.00301218/step, 1.76062 hours remaining, 204.917969 MB of memory in use. ENERGY: 2895800 771.2205 2091.9842 1962.2358 108.2121 -206143.5341 17601.3754 0.0000 0.0000 34393.7091 -149214.7970 300.3688 -183608.5062 -149116.0898 299.5637 -191.2043 -159.6036 556319.2371 6.1665 6.2110 PRESSURE: 2896000 -158.36 40.1798 1.26631 40.181 208.765 -18.1403 1.26566 -18.1394 -152.863 GPRESSURE: 2896000 -132.702 45.109 38.5464 100.221 243.934 -24.0252 11.1124 -24.7541 -127.892 PRESSAVG: 2896000 -58.2404 -19.1315 -20.439 -19.1314 19.609 -31.9196 -20.4389 -31.9196 -3.02899 GPRESSAVG: 2896000 -57.4966 -19.469 -20.4048 -18.4367 19.2346 -31.8984 -19.091 -34.5451 -3.30947 TIMING: 2896000 CPU: 8640.2, 0.00305484/step Wall: 8640.2, 0.00305484/step, 1.78538 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: 2896000 738.7640 2091.5906 1939.5615 116.2009 -206299.5361 17754.9615 0.0000 0.0000 34298.3854 -149360.0720 299.5363 -183658.4574 -149268.9390 299.1763 -34.1526 -5.5534 556701.2200 -13.8868 -13.8572 PRESSURE: 2896200 256.326 119.355 -129.169 119.356 -62.0177 -116.374 -129.17 -116.374 430.628 GPRESSURE: 2896200 309.13 125.399 -141.173 65.8619 -34.4934 -146.475 -139.821 -143.524 454.819 PRESSAVG: 2896200 23.5281 -28.4051 10.2265 -28.4051 15.6729 -0.687012 10.2265 -0.687101 0.551701 GPRESSAVG: 2896200 23.6252 -28.279 12.2638 -28.3959 16.2113 -1.91464 9.01437 1.38417 -0.195607 TIMING: 2896200 CPU: 8640.8, 0.00301707/step Wall: 8640.8, 0.00301707/step, 1.76314 hours remaining, 204.917969 MB of memory in use. ENERGY: 2896200 710.1244 2057.9343 1929.2269 119.2612 -206031.1542 17863.5514 0.0000 0.0000 33906.3033 -149444.7526 296.1122 -183351.0559 -149346.8407 298.7199 208.3121 243.1518 555511.7061 13.2509 13.2136 LDB: ============= START OF LOAD BALANCING ============== 8644.24 LDB: ============== END OF LOAD BALANCING =============== 8644.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8644.24 LDB: ============= START OF LOAD BALANCING ============== 8644.54 LDB: Largest compute 4821 load 0.028935 is 24.5% of average load 0.118022 LDB: Average compute 0.001729 is 1.5% of average load 0.118022 LDB: TIME 8644.55 LOAD: AVG 0.118022 MAX 0.213172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 8644.55 LOAD: AVG 0.118022 MAX 0.213172 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.23 MB LDB: TIME 8644.55 LOAD: AVG 0.118022 MAX 0.213172 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.23 MB LDB: ============== END OF LOAD BALANCING =============== 8644.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8644.55 PRESSURE: 2896400 58.8731 -75.1124 -83.5671 -75.1119 -355.006 82.4267 -83.5666 82.426 88.8427 GPRESSURE: 2896400 120.298 -146.827 -29.586 5.00672 -341.852 62.4517 -118.862 67.3081 100.988 PRESSAVG: 2896400 -17.859 -25.2629 -19.1514 -25.2629 -7.72611 30.5456 -19.1514 30.5456 23.3386 GPRESSAVG: 2896400 -18.1437 -26.4424 -19.2995 -24.5937 -8.88743 31.5615 -19.2346 29.8675 24.3664 TIMING: 2896400 CPU: 8641.42, 0.00309643/step Wall: 8641.42, 0.00309643/step, 1.80935 hours remaining, 205.941406 MB of memory in use. ENERGY: 2896400 739.1096 2054.2299 1979.3198 114.8377 -206208.3886 17658.9956 0.0000 0.0000 34340.9562 -149320.9397 299.9081 -183661.8959 -149224.9162 298.7176 -69.0969 -40.1887 557755.9046 -0.7489 -0.8883 PRESSURE: 2896600 -17.875 -232.447 112.863 -232.446 -66.476 -70.8965 112.863 -70.8965 -212.382 GPRESSURE: 2896600 20.5613 -257.63 92.0758 -202.709 -23.2251 -104.011 146.096 -96.3175 -190.086 PRESSAVG: 2896600 -14.0238 -72.1697 19.567 -72.1697 -60.8252 -62.8921 19.567 -62.8921 18.9751 GPRESSAVG: 2896600 -13.9278 -67.7301 19.4574 -74.8189 -60.0376 -64.3027 19.7436 -61.6243 18.5676 TIMING: 2896600 CPU: 8642.03, 0.00303157/step Wall: 8642.03, 0.00303157/step, 1.77128 hours remaining, 205.941406 MB of memory in use. ENERGY: 2896600 722.2598 2074.3194 1912.3173 99.6698 -206102.2908 17703.0687 0.0000 0.0000 34265.3842 -149325.2716 299.2481 -183590.6558 -149222.4394 298.3460 -98.9111 -64.2499 558741.0553 -18.6246 -18.4660 PRESSURE: 2896800 43.3504 65.7082 123.143 65.7093 308.378 47.6488 123.143 47.6498 114.797 GPRESSURE: 2896800 99.681 150.351 119.965 64.7378 322.249 -26.4745 78.6587 105.589 133.399 PRESSAVG: 2896800 36.3424 14.9234 -22.7032 14.9235 0.253381 9.46924 -22.7032 9.46935 -20.5015 GPRESSAVG: 2896800 35.8967 13.9756 -24.1599 15.5692 -0.0691908 9.3013 -22.245 8.55371 -19.3864 TIMING: 2896800 CPU: 8642.63, 0.00301106/step Wall: 8642.63, 0.00301106/step, 1.75913 hours remaining, 205.941406 MB of memory in use. ENERGY: 2896800 713.9306 2103.6438 1936.5590 124.0528 -206415.4841 18063.3682 0.0000 0.0000 34253.3566 -149220.5731 299.1431 -183473.9298 -149130.3440 298.8708 155.5083 185.1098 556214.6139 5.3648 5.4804 PRESSURE: 2897000 45.1287 59.4323 -78.7805 59.4308 69.8888 -112.44 -78.781 -112.438 -49.0456 GPRESSURE: 2897000 65.4733 -15.135 -94.5047 79.7624 145.879 -85.8449 -67.6389 -166.79 -41.4444 PRESSAVG: 2897000 34.316 30.6958 -24.3838 30.6957 55.9385 -105.618 -24.3839 -105.618 -57.5187 GPRESSAVG: 2897000 35.6701 27.1719 -24.0419 34.0443 57.6843 -104.118 -25.5542 -105.869 -60.098 TIMING: 2897000 CPU: 8643.24, 0.00304091/step Wall: 8643.24, 0.00304091/step, 1.7764 hours remaining, 205.941406 MB of memory in use. ENERGY: 2897000 692.2647 2078.2014 1935.9244 119.3481 -205834.0972 17699.5092 0.0000 0.0000 34226.8645 -149081.9850 298.9117 -183308.8495 -148985.6320 298.6382 21.9906 56.6360 557334.6885 10.9119 11.0855 PRESSURE: 2897200 -124.846 -66.2352 64.8097 -66.2351 -203.932 -149.819 64.811 -149.818 -174.597 GPRESSURE: 2897200 -115.774 -36.3336 39.2927 -7.21845 -152.777 -41.9827 43.5603 -241.141 -139.286 PRESSAVG: 2897200 -34.7833 -14.5722 -22.3705 -14.5722 33.728 -5.47792 -22.3704 -5.478 3.1973 GPRESSAVG: 2897200 -36.2711 -13.152 -23.6768 -15.2995 33.7843 -6.46758 -19.5988 -5.92385 4.85948 TIMING: 2897200 CPU: 8643.85, 0.00303842/step Wall: 8643.85, 0.00303842/step, 1.77478 hours remaining, 205.941406 MB of memory in use. ENERGY: 2897200 777.2545 2029.4771 1947.4796 106.3266 -205718.5397 17504.7191 0.0000 0.0000 34299.3123 -149053.9705 299.5444 -183353.2828 -148959.7986 299.2433 -167.7921 -135.9459 557881.5659 0.7140 0.7909 PRESSURE: 2897400 85.964 -19.5376 -26.9677 -19.5371 -174.41 -91.0797 -26.9687 -91.0809 45.4678 GPRESSURE: 2897400 132.486 42.9817 -17.4075 9.13088 -194.204 -96.6902 -12.4012 -108.75 120.082 PRESSAVG: 2897400 13.7528 -31.1548 23.9837 -31.1548 -1.20345 -50.9609 23.9837 -50.9609 -19.5121 GPRESSAVG: 2897400 15.2566 -30.4196 26.5769 -32.8187 -1.27152 -48.9943 21.157 -49.3276 -20.8536 TIMING: 2897400 CPU: 8644.45, 0.00302129/step Wall: 8644.45, 0.00302129/step, 1.7646 hours remaining, 205.941406 MB of memory in use. ENERGY: 2897400 737.8116 2097.7365 1953.1418 114.4726 -206098.4535 17837.7951 0.0000 0.0000 34472.4398 -148885.0561 301.0564 -183357.4959 -148787.4450 300.1689 -14.3261 19.4545 558366.4298 -2.3209 -2.2895 PRESSURE: 2897600 -20.8163 -128.091 0.104475 -128.091 -69.6562 27.8755 0.105296 27.876 -252.671 GPRESSURE: 2897600 37.4967 -124.202 29.7468 -107.097 -56.4401 -35.1845 -128.548 97.4047 -226.55 PRESSAVG: 2897600 17.13 0.483562 -43.1445 0.483626 -26.4948 -0.358313 -43.1445 -0.358303 -33.6717 GPRESSAVG: 2897600 15.5517 -0.319359 -43.3516 -0.566118 -26.5073 -0.203242 -42.9049 -1.47971 -32.0001 TIMING: 2897600 CPU: 8645.06, 0.0030192/step Wall: 8645.06, 0.0030192/step, 1.76321 hours remaining, 205.941406 MB of memory in use. ENERGY: 2897600 764.9090 2099.9973 1964.8254 127.4872 -205952.3621 17586.2960 0.0000 0.0000 34317.6172 -149091.2301 299.7043 -183408.8473 -148997.0649 300.2151 -114.3813 -81.8310 558595.7930 -14.3455 -14.3186 PRESSURE: 2897800 -160.446 29.7692 -65.6593 29.7689 -239.536 -309.396 -65.6587 -309.395 -425.834 GPRESSURE: 2897800 -94.6878 33.1283 91.3309 65.4331 -238.775 -358.08 -194.032 -224.403 -388.92 PRESSAVG: 2897800 1.77127 7.98942 28.3072 7.98934 5.83968 12.3072 28.3072 12.3072 -44.3047 GPRESSAVG: 2897800 2.62105 9.09643 30.0317 8.72112 5.06199 9.5896 25.8498 12.6062 -44.3055 TIMING: 2897800 CPU: 8645.66, 0.00303062/step Wall: 8645.66, 0.00303062/step, 1.76971 hours remaining, 205.941406 MB of memory in use. ENERGY: 2897800 725.4339 2039.8577 1935.2306 93.7762 -205706.8436 17340.1297 0.0000 0.0000 34324.8676 -149247.5479 299.7676 -183572.4155 -149135.1147 299.8780 -275.2722 -240.7942 557656.6505 -12.2312 -12.2075 PRESSURE: 2898000 -56.7756 182.4 75.4493 182.4 -84.2302 -40.2344 75.4493 -40.2346 93.4003 GPRESSURE: 2898000 -1.61713 -17.2416 108.379 149.546 -104.894 -19.3019 43.4067 -81.6431 140.194 PRESSAVG: 2898000 61.7823 -26.6456 -11.5265 -26.6457 18.0867 -21.3859 -11.5266 -21.3859 -67.0764 GPRESSAVG: 2898000 60.5105 -28.0699 -13.7256 -25.6479 19.1516 -20.7019 -10.3502 -19.6489 -67.0504 TIMING: 2898000 CPU: 8646.27, 0.00302966/step Wall: 8646.27, 0.00302966/step, 1.76898 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: 2898000 717.4190 2068.9825 1939.2490 97.0982 -206350.9491 17764.2439 0.0000 0.0000 34493.1733 -149270.7831 301.2375 -183763.9564 -149162.5060 298.7990 -15.8685 11.2273 558324.6300 4.2642 4.2039 PRESSURE: 2898200 -66.1396 -102.605 39.1193 -102.604 35.8563 -40.4057 39.1192 -40.4063 -32.0999 GPRESSURE: 2898200 28.6822 -65.9041 18.9443 -163.703 20.8559 -44.4299 73.247 -70.5894 -15.9192 PRESSAVG: 2898200 78.5443 27.449 -5.21132 27.449 12.9308 6.11429 -5.21136 6.11427 -65.5238 GPRESSAVG: 2898200 79.1583 26.8421 -5.169 27.4469 12.7966 7.70738 -6.09681 3.47346 -65.9648 TIMING: 2898200 CPU: 8646.88, 0.00303248/step Wall: 8646.88, 0.00303248/step, 1.77046 hours remaining, 205.941406 MB of memory in use. ENERGY: 2898200 751.6720 2135.4097 1959.8340 122.9480 -206076.9391 17784.0843 0.0000 0.0000 34208.3222 -149114.6688 298.7498 -183322.9911 -149028.4256 299.9473 -20.7944 11.2063 558712.0177 8.6505 8.6634 PRESSURE: 2898400 -204.793 58.3405 21.473 58.3403 -48.7958 -107.274 21.4741 -107.274 -244.526 GPRESSURE: 2898400 -152.84 23.099 104.464 91.119 -34.3606 -161.147 85.8821 -103.646 -211.625 PRESSAVG: 2898400 -31.2981 28.6554 41.9843 28.6553 87.8044 37.6885 41.9842 37.6883 -15.5393 GPRESSAVG: 2898400 -31.0227 29.5037 41.2146 28.2637 87.0211 36.5156 44.4974 40.0904 -14.7531 TIMING: 2898400 CPU: 8647.48, 0.00301319/step Wall: 8647.48, 0.00301319/step, 1.75903 hours remaining, 205.941406 MB of memory in use. ENERGY: 2898400 748.6598 2094.1806 1953.8031 117.1623 -205644.3088 17477.8568 0.0000 0.0000 34267.0688 -148985.5773 299.2628 -183252.6462 -148883.4695 299.9648 -166.0383 -132.9418 558657.0084 13.6557 13.7484 PRESSURE: 2898600 97.8605 -125.729 -99.8314 -125.73 79.884 70.6114 -99.8299 70.6114 -84.1375 GPRESSURE: 2898600 96.1848 -89.9806 -162.065 -175.426 112.264 27.1246 -3.7564 114.763 -23.5892 PRESSAVG: 2898600 15.5248 -32.2847 58.0481 -32.2847 83.576 44.0433 58.048 44.0432 -44.5514 GPRESSAVG: 2898600 15.9908 -30.5058 58.8035 -33.6195 84.525 43.3306 57.4218 43.4927 -45.8874 TIMING: 2898600 CPU: 8648.08, 0.00300137/step Wall: 8648.08, 0.00300137/step, 1.75196 hours remaining, 205.941406 MB of memory in use. ENERGY: 2898600 720.0981 2078.8347 1957.3140 109.3831 -206070.9332 17795.3616 0.0000 0.0000 34425.0606 -148984.8810 300.6426 -183409.9416 -148885.8846 299.6159 31.2023 61.6200 557532.0031 18.1831 18.2095 PRESSURE: 2898800 -195.124 146.34 168.671 146.34 -379.983 -13.7632 168.67 -13.7623 -253.429 GPRESSURE: 2898800 -185.863 157.769 139.431 83.3654 -321.605 51.4704 163.511 -39.3956 -227.58 PRESSAVG: 2898800 66.6217 -53.3907 -3.49523 -53.3906 -41.0541 24.4389 -3.49536 24.4389 -35.726 GPRESSAVG: 2898800 66.6106 -56.2586 -3.90354 -50.1806 -41.5129 25.4062 -4.02227 23.3648 -35.8175 TIMING: 2898800 CPU: 8648.68, 0.003021/step Wall: 8648.68, 0.003021/step, 1.76326 hours remaining, 205.941406 MB of memory in use. ENERGY: 2898800 753.5725 2056.7589 1933.6505 123.1466 -205573.4751 17270.3881 0.0000 0.0000 34463.8480 -148972.1105 300.9814 -183435.9585 -148865.1797 300.2219 -276.1789 -245.0158 557024.8587 -3.3861 -3.5733 PRESSURE: 2899000 253.985 -88.5502 -110.219 -88.5504 -89.9977 106.466 -110.22 106.465 -175.918 GPRESSURE: 2899000 236.856 -102.943 -75.5972 -105.215 -9.13377 147.176 -177.258 27.7775 -137.069 PRESSAVG: 2899000 -10.8525 -58.473 21.1766 -58.4731 20.7099 -3.3284 21.1766 -3.32837 -14.8215 GPRESSAVG: 2899000 -12.3588 -58.0164 21.2108 -60.0036 21.9291 -4.55496 21.4991 -2.08651 -14.5615 TIMING: 2899000 CPU: 8649.28, 0.00300635/step Wall: 8649.28, 0.00300635/step, 1.75454 hours remaining, 205.941406 MB of memory in use. ENERGY: 2899000 751.0879 2081.1536 1937.7428 101.9329 -205840.6635 17686.7980 0.0000 0.0000 34345.4756 -148936.4727 299.9476 -183281.9483 -148842.5590 299.8717 -3.9767 30.2176 556533.8554 -1.6547 -1.6637 PRESSURE: 2899200 -2.48518 83.4042 -144.536 83.4041 44.6613 30.7494 -144.536 30.7503 276.287 GPRESSURE: 2899200 16.3585 78.8133 -142.693 146.369 76.3373 -54.4658 -67.7454 169.008 310.751 PRESSAVG: 2899200 -40.9296 -48.1179 -37.8503 -48.1179 -2.62451 4.66463 -37.8502 4.66467 27.2424 GPRESSAVG: 2899200 -39.0398 -47.5694 -37.6083 -48.0027 -4.25534 7.00586 -37.8694 3.51161 26.5831 TIMING: 2899200 CPU: 8649.89, 0.00304974/step Wall: 8649.89, 0.00304974/step, 1.77969 hours remaining, 205.941406 MB of memory in use. ENERGY: 2899200 757.0132 2113.5071 1928.3247 126.4441 -206203.9576 17939.4592 0.0000 0.0000 34291.2110 -149047.9983 299.4737 -183339.2093 -148952.4715 299.8199 106.1543 134.4824 558124.2937 -5.4372 -5.5707 PRESSURE: 2899400 -37.9914 -72.4111 23.2991 -72.4101 -374.617 -27.3593 23.2984 -27.3603 -168.474 GPRESSURE: 2899400 62.1007 -41.3183 -27.5425 -67.4671 -350.207 -105.06 113.586 5.27479 -180.051 PRESSAVG: 2899400 39.1401 -18.6127 24.0285 -18.6127 -5.11083 68.5078 24.0285 68.5077 -22.7438 GPRESSAVG: 2899400 39.7677 -18.9838 24.7271 -19.3627 -4.87346 67.4192 24.2 68.0583 -23 TIMING: 2899400 CPU: 8650.5, 0.0030513/step Wall: 8650.5, 0.0030513/step, 1.78044 hours remaining, 205.941406 MB of memory in use. ENERGY: 2899400 770.8398 2123.9847 1982.0394 132.2955 -206017.1558 17601.4217 0.0000 0.0000 34204.2557 -149202.3190 298.7143 -183406.5747 -149106.8437 299.6633 -193.6939 -156.0524 557474.2277 3.7618 3.9648 PRESSURE: 2899600 182.72 -89.2749 64.5738 -89.2734 -62.4534 -110.531 64.5717 -110.533 -38.6269 GPRESSURE: 2899600 226.679 -0.668448 49.4736 -104.408 18.7457 -117.051 134.306 -100.386 -47.8562 PRESSAVG: 2899600 47.3905 -28.2827 61.4085 -28.2828 -61.9637 27.53 61.4085 27.5301 39.7846 GPRESSAVG: 2899600 46.5617 -26.9253 60.2362 -26.545 -61.0794 27.431 61.7183 27.8315 39.3126 TIMING: 2899600 CPU: 8651.11, 0.00302492/step Wall: 8651.11, 0.00302492/step, 1.76487 hours remaining, 205.941406 MB of memory in use. ENERGY: 2899600 786.6572 2056.9238 1941.3060 111.1872 -206417.4414 17975.0292 0.0000 0.0000 34456.0844 -149090.2537 300.9136 -183546.3381 -148989.4995 299.7060 27.2133 65.8560 557784.3440 8.4038 8.2650 PRESSURE: 2899800 -269.626 -118.651 -21.43 -118.65 108.376 214.86 -21.4295 214.859 77.1346 GPRESSURE: 2899800 -238.104 -48.2052 21.8901 -199.915 179.393 134.825 -32.4127 231.194 49.5045 PRESSAVG: 2899800 -13.4267 -51.3414 -71.0393 -51.3415 46.5469 56.5612 -71.0393 56.5612 -50.1914 GPRESSAVG: 2899800 -14.9568 -52.212 -72.11 -53.0418 46.4699 56.6339 -70.1449 56.4006 -48.9678 TIMING: 2899800 CPU: 8651.72, 0.0030555/step Wall: 8651.72, 0.0030555/step, 1.78254 hours remaining, 205.941406 MB of memory in use. ENERGY: 2899800 762.4705 2089.7787 1962.5894 120.9648 -206378.4551 17912.3467 0.0000 0.0000 34488.2687 -149042.0362 301.1946 -183530.3050 -148947.3409 300.2919 -28.0385 -3.0688 557733.7915 -5.6904 -5.8182 PRESSURE: 2900000 145.335 -89.3214 28.0684 -89.3217 46.3334 -87.2276 28.0671 -87.2274 -71.3899 GPRESSURE: 2900000 257.594 -36.1888 -5.22753 -83.0708 53.1718 -96.5815 17.1807 -105.858 -83.137 PRESSAVG: 2900000 -41.0268 16.3002 -38.5021 16.3003 61.1523 50.3197 -38.5023 50.3199 -16.4955 GPRESSAVG: 2900000 -40.3006 14.8418 -36.0864 18.1869 61.8377 49.0947 -39.6301 48.4136 -17.4711 TIMING: 2900000 CPU: 8652.34, 0.00307737/step Wall: 8652.34, 0.00307737/step, 1.79513 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: 2900000 747.3670 2117.0932 1981.0226 115.7519 -206419.7372 17932.6414 0.0000 0.0000 34353.0706 -149172.7905 300.0139 -183525.8611 -149079.5333 300.0344 40.0930 75.8764 557833.0650 1.2100 1.3553 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2900000 WRITING COORDINATES TO DCD FILE MD.1.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 245.848 -5.23769 -15.7044 -5.23739 -203.225 33.3556 -15.7041 33.3567 83.9434 GPRESSURE: 2900200 195.33 -0.82589 -23.0425 105.222 -91.3694 94.8864 10.6721 -74.8316 120.677 PRESSAVG: 2900200 -4.17869 35.5264 16.4236 35.5265 -16.1443 8.06045 16.4236 8.0603 9.5338 GPRESSAVG: 2900200 -4.39937 37.9 15.0127 34.8272 -17.3251 7.56218 18.9859 11.9647 11.4712 TIMING: 2900200 CPU: 8652.96, 0.00311595/step Wall: 8652.96, 0.00311595/step, 1.81746 hours remaining, 206.066406 MB of memory in use. ENERGY: 2900200 767.5871 2017.9103 1939.1518 114.2599 -206031.9515 17860.3834 0.0000 0.0000 34151.7749 -149180.8842 298.2559 -183332.6591 -149080.5485 299.5367 42.1886 74.8791 558245.8515 -3.5964 -3.4177 LDB: ============= START OF LOAD BALANCING ============== 8656.39 LDB: ============== END OF LOAD BALANCING =============== 8656.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8656.39 LDB: ============= START OF LOAD BALANCING ============== 8656.7 LDB: Largest compute 4821 load 0.027491 is 23.3% of average load 0.118023 LDB: Average compute 0.001737 is 1.5% of average load 0.118023 LDB: TIME 8656.7 LOAD: AVG 0.118023 MAX 0.211502 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 8656.7 LOAD: AVG 0.118023 MAX 0.211502 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 8656.7 LOAD: AVG 0.118023 MAX 0.211502 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 8656.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8656.71 PRESSURE: 2900400 -41.8458 91.5234 29.4449 91.5241 -101.48 53.9838 29.4443 53.9837 52.2656 GPRESSURE: 2900400 -23.2384 20.0774 -81.4362 150.449 -92.4655 71.7067 74.8689 79.7991 113.859 PRESSAVG: 2900400 4.77883 7.63152 -21.9433 7.6315 -27.1775 32.3437 -21.9433 32.3438 1.39203 GPRESSAVG: 2900400 4.62432 6.97273 -21.1202 7.85533 -26.1147 36.4376 -23.72 30.2776 -0.0913917 TIMING: 2900400 CPU: 8653.58, 0.00308806/step Wall: 8653.58, 0.00308806/step, 1.80102 hours remaining, 206.453125 MB of memory in use. ENERGY: 2900400 727.2161 2131.3890 1941.4777 109.8227 -206415.8132 17787.5082 0.0000 0.0000 34250.9106 -149467.4890 299.1217 -183718.3996 -149370.4481 298.9542 -30.3535 -0.6149 557465.4487 -7.0022 -7.1939 PRESSURE: 2900600 89.3095 -62.2927 -78.83 -62.2935 -135.848 73.3005 -78.8291 73.301 16.1343 GPRESSURE: 2900600 125.434 -150.792 -87.3292 -42.7044 -70.9215 146.445 -118.337 -27.4039 4.97338 PRESSAVG: 2900600 25.6542 31.6074 51.4091 31.6074 16.8301 39.6521 51.4091 39.6522 -6.97012 GPRESSAVG: 2900600 24.9034 29.9766 51.747 32.5067 16.6796 37.1412 50.0659 42.0801 -6.39801 TIMING: 2900600 CPU: 8654.18, 0.00302827/step Wall: 8654.18, 0.00302827/step, 1.76599 hours remaining, 206.656250 MB of memory in use. ENERGY: 2900600 768.3666 2070.6817 1940.6377 116.3750 -206438.7519 17987.4496 0.0000 0.0000 34167.3220 -149387.9193 298.3917 -183555.2413 -149287.4208 298.4956 -10.1347 19.8286 558613.6618 11.8381 11.7283 PRESSURE: 2900800 -292.689 92.7154 158.761 92.7163 -99.0306 105.521 158.759 105.523 -394.992 GPRESSURE: 2900800 -263.766 108.746 147.751 49.2671 -47.0049 78.2194 154.364 123.51 -385.073 PRESSAVG: 2900800 3.70897 -9.45434 19.452 -9.45433 -11.7075 43.8901 19.4519 43.8901 -4.05253 GPRESSAVG: 2900800 5.65723 -8.51715 18.8429 -10.4859 -12.7872 44.8174 20.1044 42.0035 -5.11871 TIMING: 2900800 CPU: 8654.79, 0.00302062/step Wall: 8654.79, 0.00302062/step, 1.76136 hours remaining, 206.656250 MB of memory in use. ENERGY: 2900800 751.6405 2089.8338 1931.5101 130.8613 -206329.0615 17706.6327 0.0000 0.0000 34353.5119 -149365.0712 300.0178 -183718.5832 -149269.8607 298.1775 -262.2372 -231.9482 559024.8691 -4.0170 -4.0829 PRESSURE: 2901000 73.9492 -90.7952 3.351 -90.7964 -244.249 -255.468 3.34999 -255.468 -550.695 GPRESSURE: 2901000 40.8945 -67.6777 -4.56273 -107.574 -182.85 -257.079 -16.8555 -204.291 -479.261 PRESSAVG: 2901000 -7.49001 20.9031 48.3629 20.9031 86.7416 -26.295 48.3629 -26.2952 -16.4722 GPRESSAVG: 2901000 -8.82641 20.6444 47.6211 22.1478 86.0129 -26.259 47.9668 -26.5856 -14.918 TIMING: 2901000 CPU: 8655.4, 0.00305388/step Wall: 8655.4, 0.00305388/step, 1.78058 hours remaining, 206.656250 MB of memory in use. ENERGY: 2901000 744.8382 2049.3402 1976.9300 117.7882 -206288.0805 17671.0769 0.0000 0.0000 34301.1107 -149426.9963 299.5601 -183728.1070 -149332.3578 299.1983 -240.3317 -207.0721 559364.5015 20.9265 20.7561 PRESSURE: 2901200 177.867 -12.1449 110.636 -12.1443 19.1517 170.298 110.636 170.297 186.529 GPRESSURE: 2901200 206.635 -39.2394 43.7007 -57.103 28.4394 125.601 102.184 176.635 247.119 PRESSAVG: 2901200 36.416 -6.92691 -15.5971 -6.92694 -22.4912 -19.2952 -15.5971 -19.2951 -47.2216 GPRESSAVG: 2901200 35.856 -5.65136 -14.7148 -9.081 -22.8038 -18.3582 -15.3902 -19.1885 -47.1197 TIMING: 2901200 CPU: 8656, 0.00303005/step Wall: 8656, 0.00303005/step, 1.76652 hours remaining, 206.656250 MB of memory in use. ENERGY: 2901200 691.2062 2024.0267 1950.0185 120.8422 -206693.9803 18015.3137 0.0000 0.0000 34303.6264 -149588.9465 299.5821 -183892.5729 -149491.0828 298.7715 127.8491 160.7312 557040.7136 -11.0989 -11.3559 PRESSURE: 2901400 -41.6097 47.0338 -106.213 47.0352 -345.249 -144.546 -106.214 -144.546 -263.885 GPRESSURE: 2901400 -46.4166 103.149 -63.0924 86.3091 -260.303 -48.5139 -92.3874 -190.796 -237.156 PRESSAVG: 2901400 51.8653 -10.6364 -1.91924 -10.6363 -49.6984 17.5083 -1.91923 17.5084 6.18706 GPRESSAVG: 2901400 52.7443 -11.3778 -2.31439 -8.23236 -49.3663 16.9959 -2.53175 18.0322 5.16501 TIMING: 2901400 CPU: 8656.61, 0.00302478/step Wall: 8656.61, 0.00302478/step, 1.76328 hours remaining, 206.656250 MB of memory in use. ENERGY: 2901400 712.8556 2110.6133 1966.6514 110.4134 -205667.8528 17329.9042 0.0000 0.0000 34066.6169 -149370.7980 297.5122 -183437.4149 -149278.1375 298.1110 -216.9147 -181.2919 558267.2072 2.7846 2.8477 PRESSURE: 2901600 -318.13 -171.903 11.4417 -171.902 -18.7471 174.363 11.4416 174.362 -344.844 GPRESSURE: 2901600 -271.422 -173.363 34.9685 -174.766 1.36527 187.554 -7.48287 165.657 -294.912 PRESSAVG: 2901600 -40.9162 -19.8084 16.2206 -19.8084 10.7107 -53.0454 16.2206 -53.0455 -40.4984 GPRESSAVG: 2901600 -40.6717 -18.2967 16.0862 -19.428 9.09068 -53.6852 18.6015 -54.0474 -39.2182 TIMING: 2901600 CPU: 8657.22, 0.00305256/step Wall: 8657.22, 0.00305256/step, 1.77931 hours remaining, 206.656250 MB of memory in use. ENERGY: 2901600 742.0840 2032.0186 1967.7610 108.7996 -206238.3121 17607.7464 0.0000 0.0000 34419.8386 -149360.0640 300.5970 -183779.9026 -149262.9146 299.1238 -227.2403 -188.3229 557450.1726 -23.5680 -23.5997 PRESSURE: 2901800 -24.404 -21.1244 -115.782 -21.1254 39.6157 -37.9098 -115.781 -37.9093 29.1477 GPRESSURE: 2901800 -19.1264 30.3221 -78.8327 -7.86236 80.0436 48.3414 -114.417 -68.5021 91.5989 PRESSAVG: 2901800 -30.3198 -27.5917 -19.0458 -27.5917 -19.1067 -11.7462 -19.0459 -11.7462 47.7996 GPRESSAVG: 2901800 -31.1698 -28.8359 -16.4047 -28.8781 -16.8961 -14.2989 -20.9621 -9.5584 46.4564 TIMING: 2901800 CPU: 8657.83, 0.00304785/step Wall: 8657.83, 0.00304785/step, 1.77639 hours remaining, 206.656250 MB of memory in use. ENERGY: 2901800 699.8836 2157.8467 1967.2553 111.5430 -206397.0716 17914.3495 0.0000 0.0000 34348.9085 -149197.2851 299.9776 -183546.1936 -149104.8868 298.7844 14.7865 50.8387 557033.8122 -0.5423 -0.5365 PRESSURE: 2902000 59.4171 83.2822 -66.9246 83.2819 -201.969 -78.2719 -66.9255 -78.2722 -11.1248 GPRESSURE: 2902000 67.566 64.0239 -73.5917 120.962 -145.417 -8.60901 -19.1109 -81.1605 24.0255 PRESSAVG: 2902000 -58.1741 -0.893247 -80.4715 -0.893232 -35.7663 -5.72428 -80.4716 -5.72418 107.952 GPRESSAVG: 2902000 -57.1848 0.407296 -82.7559 -2.05257 -36.4662 -3.00779 -82.4317 -7.80251 108.11 TIMING: 2902000 CPU: 8658.43, 0.00300255/step Wall: 8658.43, 0.00300255/step, 1.74982 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: 2902000 741.1084 2087.5301 1959.2514 116.6568 -205847.1675 17787.5523 0.0000 0.0000 34180.4521 -148974.6165 298.5064 -183155.0686 -148878.7727 299.5530 -51.2256 -17.9418 558874.5242 4.6704 4.8198 PRESSURE: 2902200 -175.471 -28.6666 -107.035 -28.6663 219.309 99.3217 -107.035 99.3207 -160.927 GPRESSURE: 2902200 -144.137 -37.7843 -75.6082 -41.6961 237.625 20.4204 -198.62 117.907 -105.958 PRESSAVG: 2902200 -19.5927 5.97365 -41.265 5.97364 31.5265 23.7777 -41.2649 23.7776 4.38927 GPRESSAVG: 2902200 -19.1208 5.01441 -40.8349 6.45684 30.2498 22.6873 -41.3656 23.9008 4.94151 TIMING: 2902200 CPU: 8659.04, 0.00304954/step Wall: 8659.04, 0.00304954/step, 1.77704 hours remaining, 206.656250 MB of memory in use. ENERGY: 2902200 758.3985 2116.4274 1938.4484 108.8986 -206390.6320 17843.4474 0.0000 0.0000 34434.2290 -149190.7828 300.7227 -183625.0118 -149096.2226 299.7535 -39.0296 -4.1565 558276.2479 5.4410 5.3568 PRESSURE: 2902400 -281.896 46.9711 101.734 46.9708 -44.5989 48.0697 101.735 48.071 66.7912 GPRESSURE: 2902400 -285.305 92.2444 145.104 -42.7267 -21.3476 9.87076 149.086 23.7631 142.869 PRESSAVG: 2902400 5.1437 2.13916 13.5997 2.13918 4.51036 59.9943 13.5997 59.9943 -37.2632 GPRESSAVG: 2902400 4.50006 2.7647 13.0457 -0.725923 5.07252 60.185 15.4812 60.0472 -37.5049 TIMING: 2902400 CPU: 8659.64, 0.00302945/step Wall: 8659.64, 0.00302945/step, 1.76516 hours remaining, 206.656250 MB of memory in use. ENERGY: 2902400 738.5109 2103.5800 1941.3112 113.1157 -205838.0417 17625.5291 0.0000 0.0000 33991.6764 -149324.3183 296.8578 -183315.9947 -149228.0753 298.5690 -86.5678 -54.5943 558892.6653 -9.2030 -9.3108 PRESSURE: 2902600 -274.282 -16.1462 -29.8491 -16.1451 -459.146 227.529 -29.8481 227.528 32.0542 GPRESSURE: 2902600 -230.539 -116.691 -81.4377 75.1349 -379.885 161.464 -44.1276 263.908 3.46906 PRESSAVG: 2902600 16.5089 7.53509 80.0362 7.53511 18.8803 30.2343 80.0363 30.2342 -10.6293 GPRESSAVG: 2902600 16.7004 7.73169 81.8775 7.94548 19.8622 31.5818 78.8123 30.1369 -11.2162 TIMING: 2902600 CPU: 8660.25, 0.00304178/step Wall: 8660.25, 0.00304178/step, 1.77218 hours remaining, 206.656250 MB of memory in use. ENERGY: 2902600 739.1157 2137.1177 1960.3572 115.6332 -206077.0616 17494.3836 0.0000 0.0000 34239.8783 -149390.5761 299.0254 -183630.4543 -149292.9512 298.3079 -233.7914 -202.3184 557812.0195 8.2533 8.4488 PRESSURE: 2902800 -11.5176 -133.68 84.9598 -133.679 -37.3161 -31.3547 84.9592 -31.3551 -157.323 GPRESSURE: 2902800 43.1962 -107.798 70.0857 -161.258 38.5103 -5.54753 35.2394 -34.5768 -178.479 PRESSAVG: 2902800 -20.4525 -15.16 -31.2096 -15.1599 -64.0193 4.29215 -31.2096 4.29222 41.2245 GPRESSAVG: 2902800 -20.0586 -15.4109 -34.0095 -12.9572 -64.4069 3.77521 -29.4188 3.94296 40.8384 TIMING: 2902800 CPU: 8660.86, 0.00303818/step Wall: 8660.86, 0.00303818/step, 1.76991 hours remaining, 206.656250 MB of memory in use. ENERGY: 2902800 726.5152 2095.1783 1937.3448 105.8707 -206099.4689 17767.6144 0.0000 0.0000 34133.9057 -149333.0399 298.0999 -183466.9455 -149237.4095 298.3475 -68.7189 -32.2574 559344.0637 -14.4157 -14.5423 PRESSURE: 2903000 37.5331 56.5669 77.0663 56.5686 -23.0095 -183.79 77.066 -183.79 -140.293 GPRESSURE: 2903000 77.5324 24.9778 32.8642 113.442 17.9836 -187.607 127.215 -157.528 -127.766 PRESSAVG: 2903000 -17.6581 7.9732 16.6085 7.9731 -8.54545 -28.9485 16.6084 -28.9486 14.3047 GPRESSAVG: 2903000 -17.3057 6.39173 18.9509 7.59211 -8.68449 -30.2901 15.0489 -27.5448 14.177 TIMING: 2903000 CPU: 8661.46, 0.00300717/step Wall: 8661.46, 0.00300717/step, 1.75168 hours remaining, 206.656250 MB of memory in use. ENERGY: 2903000 749.5885 2071.6075 1960.4222 107.3984 -206143.4384 17647.6202 0.0000 0.0000 34353.2436 -149253.5579 300.0154 -183606.8015 -149169.0631 299.2397 -41.9232 -10.7499 558204.7290 -3.9663 -3.9377 PRESSURE: 2903200 35.2786 -14.7086 120.961 -14.7084 75.7705 -84.1021 120.961 -84.102 54.2468 GPRESSURE: 2903200 160.778 -14.7603 122.761 -16.4425 51.5279 -188.286 111.058 -55.1638 43.1438 PRESSAVG: 2903200 -26.2514 -48.0873 54.2963 -48.0872 33.9306 -37.7591 54.2963 -37.7591 -17.6938 GPRESSAVG: 2903200 -25.9098 -47.1294 54.4911 -47.6641 34.4841 -36.8594 53.7547 -37.8141 -18.5297 TIMING: 2903200 CPU: 8662.07, 0.00304171/step Wall: 8662.07, 0.00304171/step, 1.77163 hours remaining, 206.656250 MB of memory in use. ENERGY: 2903200 749.7911 2057.7517 1951.8001 99.8944 -206199.7368 18009.8298 0.0000 0.0000 34266.8201 -149063.8496 299.2607 -183330.6697 -148967.7801 299.1086 55.0986 85.1499 558778.8401 -3.3382 -3.3184 PRESSURE: 2903400 106.308 -180.17 132.539 -180.17 422.313 -183.66 132.54 -183.66 106.872 GPRESSURE: 2903400 120.617 -116.844 97.0228 -196.683 403.062 -227.405 162.852 -106.099 202.208 PRESSAVG: 2903400 10.9162 -18.5284 -9.30755 -18.5285 -45.6965 -35.2563 -9.30754 -35.2562 -6.27802 GPRESSAVG: 2903400 9.91809 -16.8616 -8.41472 -19.5355 -45.8288 -37.2738 -8.72042 -34.4435 -5.42607 TIMING: 2903400 CPU: 8662.68, 0.00303191/step Wall: 8662.68, 0.00303191/step, 1.76575 hours remaining, 206.656250 MB of memory in use. ENERGY: 2903400 718.9237 2087.6700 1954.1581 115.3983 -206495.9349 18165.1056 0.0000 0.0000 34216.9978 -149237.6815 298.8256 -183454.6792 -149136.9847 299.2782 211.8310 241.9622 556209.0715 -13.6861 -13.7789 PRESSURE: 2903600 -228.754 21.4006 -69.025 21.4006 140.279 -149.333 -69.0241 -149.334 -273.252 GPRESSURE: 2903600 -162.997 21.3943 11.5987 -24.7143 209.136 -218.504 -121.177 -89.9055 -303.325 PRESSAVG: 2903600 30.6808 -16.7144 48.8961 -16.7144 14.0595 -13.1442 48.8961 -13.1442 -31.0304 GPRESSAVG: 2903600 30.3597 -18.537 46.5998 -15.2926 13.8391 -11.915 50.015 -14.8874 -30.9677 TIMING: 2903600 CPU: 8663.28, 0.00303261/step Wall: 8663.28, 0.00303261/step, 1.76599 hours remaining, 206.656250 MB of memory in use. ENERGY: 2903600 751.0276 2157.5900 1946.3191 119.1166 -206052.5744 17583.4382 0.0000 0.0000 34269.6061 -149225.4768 299.2850 -183495.0829 -149129.3528 299.1830 -120.5759 -85.7288 557764.3954 4.5700 4.4104 PRESSURE: 2903800 -97.1068 -59.5604 85.6872 -59.5604 303.36 1.5551 85.6884 1.55545 14.8411 GPRESSURE: 2903800 -81.0997 -118.532 132.637 -31.813 276.923 69.8454 66.6343 -98.2174 111.679 PRESSAVG: 2903800 -54.7158 -53.0945 42.8553 -53.0946 78.5335 8.65415 42.8553 8.65409 -43.7708 GPRESSAVG: 2903800 -53.8008 -53.6597 44.3937 -54.7354 76.9088 8.12602 41.7314 7.85623 -43.6836 TIMING: 2903800 CPU: 8663.89, 0.00304151/step Wall: 8663.89, 0.00304151/step, 1.77101 hours remaining, 206.656250 MB of memory in use. ENERGY: 2903800 702.0990 2079.9431 1980.8361 102.5266 -206482.3368 17918.2270 0.0000 0.0000 34435.0122 -149263.6927 300.7295 -183698.7049 -149171.1160 298.8777 73.6980 102.5011 557120.9164 -6.6510 -6.8586 PRESSURE: 2904000 -373.109 -48.1199 -48.0131 -48.1186 -239.82 6.72302 -48.0133 6.72495 -132.473 GPRESSURE: 2904000 -342.099 -49.3526 -99.5865 -108.847 -179.143 -19.9197 -44.0826 29.0485 -126.199 PRESSAVG: 2904000 -62.0987 59.8481 63.0874 59.8481 47.1456 -34.8816 63.0873 -34.8814 16.3009 GPRESSAVG: 2904000 -62.7659 61.7104 62.437 58.3367 48.3677 -35.6249 63.9897 -34.124 15.3517 TIMING: 2904000 CPU: 8664.5, 0.00306372/step Wall: 8664.5, 0.00306372/step, 1.78377 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: 2904000 783.2481 2056.7494 1962.7787 113.8668 -205934.3564 17682.2210 0.0000 0.0000 34172.7534 -149162.7389 298.4392 -183335.4923 -149062.6991 299.2399 -248.4673 -215.8135 559454.1059 0.4492 0.3178 PRESSURE: 2904200 -45.8151 -80.5267 18.3854 -80.5272 -364.47 0.740724 18.3849 0.74015 -184.263 GPRESSURE: 2904200 -6.44214 -65.0988 -36.9791 -92.1107 -315.416 37.4359 57.5745 -51.4135 -181.314 PRESSAVG: 2904200 62.4483 23.387 23.0793 23.387 -29.6859 -27.652 23.0793 -27.652 -25.2686 GPRESSAVG: 2904200 61.5914 22.2252 24.6567 26.1995 -29.8966 -25.9543 22.104 -29.1437 -23.9218 TIMING: 2904200 CPU: 8665.11, 0.00304218/step Wall: 8665.11, 0.00304218/step, 1.77106 hours remaining, 206.656250 MB of memory in use. ENERGY: 2904200 733.1129 2107.1456 1982.7878 114.1319 -205654.8899 17465.0710 0.0000 0.0000 34092.7808 -149159.8599 297.7407 -183252.6407 -149065.4746 299.0157 -198.1827 -167.7239 559115.2170 2.4979 2.5910 LDB: ============= START OF LOAD BALANCING ============== 8668.55 LDB: ============== END OF LOAD BALANCING =============== 8668.55 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8668.55 LDB: ============= START OF LOAD BALANCING ============== 8668.85 LDB: Largest compute 4819 load 0.028130 is 23.8% of average load 0.118110 LDB: Average compute 0.001733 is 1.5% of average load 0.118110 LDB: TIME 8668.85 LOAD: AVG 0.11811 MAX 0.212914 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.688 MB LDB: TIME 8668.85 LOAD: AVG 0.11811 MAX 0.212914 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.691 MB LDB: TIME 8668.85 LOAD: AVG 0.11811 MAX 0.212914 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.691 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8668.86 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8668.86 PRESSURE: 2904400 265.928 257.106 -10.8385 257.105 249.436 -19.4402 -10.8388 -19.4407 -83.5533 GPRESSURE: 2904400 291.838 254.352 25.5124 173.93 280.878 -102.176 -17.1794 -24.1753 -45.7158 PRESSAVG: 2904400 20.1836 -3.04602 11.9177 -3.04604 54.7261 3.29411 11.9178 3.29406 -58.7982 GPRESSAVG: 2904400 20.5064 -3.65385 10.8934 -3.38564 54.1965 0.561598 11.9349 5.34691 -59.3208 TIMING: 2904400 CPU: 8665.73, 0.0030946/step Wall: 8665.73, 0.0030946/step, 1.8014 hours remaining, 205.937500 MB of memory in use. ENERGY: 2904400 703.2047 2039.4064 1942.7581 116.5333 -206489.5708 17963.4659 0.0000 0.0000 34365.3895 -149358.8128 300.1215 -183724.2023 -149258.7726 299.3176 143.9369 175.6666 556582.1494 5.3705 5.1274 PRESSURE: 2904600 44.2306 167.379 -19.5967 167.377 -79.2954 -10.4216 -19.5968 -10.4213 420.353 GPRESSURE: 2904600 77.8125 176.093 -28.3663 128.082 -80.0876 -8.9245 -8.21663 90.4094 493.232 PRESSAVG: 2904600 -37.471 62.9539 31.9598 62.9539 19.913 -31.6208 31.9598 -31.6207 37.2665 GPRESSAVG: 2904600 -36.1047 63.5638 31.2443 60.9776 19.7356 -30.788 31.7082 -30.9111 36.8252 TIMING: 2904600 CPU: 8666.33, 0.00301689/step Wall: 8666.33, 0.00301689/step, 1.756 hours remaining, 205.937500 MB of memory in use. ENERGY: 2904600 715.8052 2067.7968 1972.3205 99.7584 -206180.9774 17916.0099 0.0000 0.0000 33996.7858 -149412.5007 296.9024 -183409.2866 -149315.4935 298.3448 128.4293 163.6523 557289.2979 6.5695 6.8187 PRESSURE: 2904800 -242.301 -33.4104 -92.6894 -33.4111 58.1812 -68.8043 -92.6885 -68.8044 -50.568 GPRESSURE: 2904800 -199.3 51.5882 -161.53 -28.3051 69.8291 -10.2594 -13.7097 -145.529 -1.28574 PRESSAVG: 2904800 -21.5798 14.1626 0.5782 14.1626 -18.9905 1.7425 0.578114 1.74259 68.9739 GPRESSAVG: 2904800 -21.6088 15.2853 0.095769 14.0262 -19.1793 2.16924 1.35313 1.46056 69.6322 TIMING: 2904800 CPU: 8666.94, 0.00303131/step Wall: 8666.94, 0.00303131/step, 1.76422 hours remaining, 205.937500 MB of memory in use. ENERGY: 2904800 723.6584 2099.3638 1949.7818 120.0973 -206346.4743 17740.0211 0.0000 0.0000 34288.3596 -149425.1924 299.4488 -183713.5520 -149331.2917 298.2867 -78.2291 -43.5855 557121.1064 9.4679 9.6147 PRESSURE: 2905000 160.62 -172.298 86.2156 -172.297 254.891 74.6297 86.2152 74.6311 339.606 GPRESSURE: 2905000 137.491 -108.973 83.0275 -121.34 361.856 80.2508 69.2013 22.8471 349.637 PRESSAVG: 2905000 -44.0106 -17.8407 -7.73568 -17.8407 70.0829 -8.25836 -7.73561 -8.25821 13.9611 GPRESSAVG: 2905000 -44.9418 -17.5049 -7.10916 -17.1324 71.2483 -8.76319 -6.66691 -7.54712 14.3474 TIMING: 2905000 CPU: 8667.54, 0.00301722/step Wall: 8667.54, 0.00301722/step, 1.75586 hours remaining, 205.937500 MB of memory in use. ENERGY: 2905000 723.2073 2079.5064 1963.0522 107.6313 -206462.8558 17958.0655 0.0000 0.0000 34333.9152 -149297.4778 299.8466 -183631.3931 -149200.9185 299.1978 251.7056 282.9947 556166.7199 13.3444 13.5513 PRESSURE: 2905200 -90.1262 -21.9127 -32.3733 -21.9119 126.335 12.8518 -32.3726 12.8515 177.649 GPRESSURE: 2905200 -25.5792 -62.4829 30.463 20.6397 138.676 67.1457 -27.656 -32.4322 202.836 PRESSAVG: 2905200 -6.35057 16.4823 -32.2578 16.4822 -13.3096 51.1395 -32.2578 51.1395 15.0606 GPRESSAVG: 2905200 -6.26938 15.9553 -32.2309 17.4847 -13.9244 50.773 -32.1228 47.471 15.0922 TIMING: 2905200 CPU: 8668.15, 0.00302558/step Wall: 8668.15, 0.00302558/step, 1.76055 hours remaining, 205.937500 MB of memory in use. ENERGY: 2905200 691.8068 2066.4499 1950.4578 118.3317 -206320.7323 18009.8400 0.0000 0.0000 34339.5634 -149144.2827 299.8959 -183483.8461 -149049.1468 299.2386 71.2861 105.3109 559305.6439 -1.5332 -1.7005 PRESSURE: 2905400 41.7607 -23.3459 -117.943 -23.3457 60.6764 -60.2095 -117.943 -60.2088 -62.8138 GPRESSURE: 2905400 58.7117 -6.34435 -78.6941 -34.7633 78.8378 -51.5797 -115.073 -104.923 -9.76782 PRESSAVG: 2905400 -9.6463 13.2158 -36.7235 13.2159 39.3292 31.5232 -36.7235 31.5232 -8.02819 GPRESSAVG: 2905400 -9.68127 13.9083 -35.0487 11.7736 39.86 32.6671 -39.0592 35.6406 -8.81494 TIMING: 2905400 CPU: 8668.75, 0.00301048/step Wall: 8668.75, 0.00301048/step, 1.7516 hours remaining, 205.937500 MB of memory in use. ENERGY: 2905400 751.7198 2048.8270 1969.7235 105.0242 -206436.1308 18014.6214 0.0000 0.0000 34381.2916 -149164.9234 300.2604 -183546.2150 -149068.7697 299.4379 13.2077 42.5939 559142.2683 7.2182 7.1213 PRESSURE: 2905600 -141.708 -214.758 -189.959 -214.759 65.1816 -126.898 -189.959 -126.898 -230.712 GPRESSURE: 2905600 -84.3335 -77.8727 -338.476 -282.934 61.0054 -151.691 -134.451 -102.394 -194.898 PRESSAVG: 2905600 28.4908 -44.6664 -17.5418 -44.6663 -4.47294 -9.54599 -17.5418 -9.54596 -48.0473 GPRESSAVG: 2905600 28.5046 -45.714 -20.342 -43.1236 -5.63721 -9.63406 -16.2189 -12.5016 -47.3686 TIMING: 2905600 CPU: 8669.35, 0.00299101/step Wall: 8669.35, 0.00299101/step, 1.7401 hours remaining, 205.937500 MB of memory in use. ENERGY: 2905600 763.3351 2064.5006 1954.5622 116.7071 -205892.2210 17635.2503 0.0000 0.0000 34193.1047 -149164.7609 298.6169 -183357.8657 -149064.6806 300.0436 -102.4128 -72.7420 559674.1964 -8.0098 -8.1671 PRESSURE: 2905800 -252.732 -55.0595 114.879 -55.0585 -180.431 83.3926 114.879 83.3918 -273.144 GPRESSURE: 2905800 -207.443 -58.3211 153.968 -22.6053 -151.906 53.4488 65.7799 244.719 -250.87 PRESSAVG: 2905800 -69.0714 -14.8631 20.7635 -14.8631 34.264 46.7696 20.7635 46.7697 -10.9763 GPRESSAVG: 2905800 -68.3172 -15.4781 21.718 -15.7143 34.0703 47.4758 22.072 47.8946 -11.6511 TIMING: 2905800 CPU: 8669.95, 0.00299376/step Wall: 8669.95, 0.00299376/step, 1.74154 hours remaining, 205.937500 MB of memory in use. ENERGY: 2905800 785.8520 2109.6767 1924.3518 107.5475 -205754.7174 17556.9356 0.0000 0.0000 34017.3991 -149252.9548 297.0824 -183270.3539 -149162.9750 298.4517 -235.4355 -203.4063 559007.9076 -15.2612 -15.2993 PRESSURE: 2906000 -119.653 -5.8005 -145.31 -5.80024 143.881 -160.111 -145.31 -160.112 -165.386 GPRESSURE: 2906000 -41.6974 40.4763 -150.388 -25.807 122.359 -238.086 -137.841 -136.722 -127.47 PRESSAVG: 2906000 -9.49155 5.60894 27.979 5.60894 33.227 16.7459 27.979 16.7458 -22.3246 GPRESSAVG: 2906000 -10.123 6.91213 27.7988 5.68554 35.486 16.3971 25.1386 16.1863 -23.1684 TIMING: 2906000 CPU: 8670.55, 0.0030094/step Wall: 8670.55, 0.0030094/step, 1.75047 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: 2906000 697.6262 2119.9313 1928.6527 104.4491 -205821.5316 17495.9287 0.0000 0.0000 34259.5485 -149215.3951 299.1972 -183474.9436 -149118.1458 298.8994 -47.0525 -15.6029 556375.2250 0.4703 0.7316 PRESSURE: 2906200 -301.923 -100.858 -14.979 -100.859 -316.25 58.0711 -14.9787 58.0694 -451.645 GPRESSURE: 2906200 -251.779 -65.6755 -55.3758 -145.393 -277.546 103.762 19.7682 -43.1046 -438.021 PRESSAVG: 2906200 51.8679 6.29583 -7.93287 6.29582 53.0866 60.2877 -7.9329 60.2878 -27.9978 GPRESSAVG: 2906200 52.7514 5.64391 -6.87404 6.7828 51.426 60.7008 -7.05957 59.8983 -26.94 TIMING: 2906200 CPU: 8671.15, 0.00297907/step Wall: 8671.15, 0.00297907/step, 1.73266 hours remaining, 205.937500 MB of memory in use. ENERGY: 2906200 755.9997 2128.5761 1949.4645 106.0014 -205692.6015 17232.9036 0.0000 0.0000 34238.8725 -149280.7836 299.0166 -183519.6562 -149173.9878 299.3456 -356.6059 -322.4486 556954.2182 25.6522 25.7458 PRESSURE: 2906400 29.0942 -8.31344 -17.8969 -8.31388 52.7051 -25.771 -17.8963 -25.7705 36.602 GPRESSURE: 2906400 31.991 -39.4733 46.6714 48.836 115.827 -50.0975 -13.1851 -48.7435 78.8298 PRESSAVG: 2906400 -0.113501 21.7289 -17.8143 21.7289 46.694 13.0128 -17.8143 13.0128 -7.45638 GPRESSAVG: 2906400 -0.380435 18.6947 -17.1662 21.7442 47.3359 11.8307 -18.912 13.5691 -7.91033 TIMING: 2906400 CPU: 8671.75, 0.00300503/step Wall: 8671.75, 0.00300503/step, 1.74759 hours remaining, 205.937500 MB of memory in use. ENERGY: 2906400 755.0664 2013.1850 1945.9838 106.5222 -206281.9496 17864.6749 0.0000 0.0000 34201.9660 -149394.5511 298.6943 -183596.5172 -149295.3551 298.7629 39.4671 75.5493 556309.7459 13.0414 13.0151 PRESSURE: 2906600 -145.705 -107.991 0.232659 -107.989 -153.194 -38.477 0.233425 -38.4741 -91.0002 GPRESSURE: 2906600 -69.9553 -69.0779 -37.3163 -70.3663 -120.951 -28.4509 15.562 -32.9237 -96.6356 PRESSAVG: 2906600 -1.6254 65.9853 5.17555 65.9853 -42.4445 -16.46 5.17545 -16.4601 -12.0486 GPRESSAVG: 2906600 -2.04929 68.2931 3.70473 66.1179 -41.5633 -15.7289 5.92831 -17.7737 -12.6952 TIMING: 2906600 CPU: 8672.35, 0.0030213/step Wall: 8672.35, 0.0030213/step, 1.75689 hours remaining, 205.937500 MB of memory in use. ENERGY: 2906600 796.1683 2059.2941 1958.3484 114.3478 -205994.6148 17633.1726 0.0000 0.0000 34265.8435 -149167.4400 299.2521 -183433.2835 -149070.8889 299.3699 -129.9663 -95.8473 558140.5817 -18.7062 -18.7693 PRESSURE: 2906800 -222.839 235.191 -54.7464 235.192 70.036 32.7019 -54.7463 32.7019 87.1239 GPRESSURE: 2906800 -193.595 229.055 -47.5191 148.767 94.6237 59.2936 -141.593 -22.6735 109.323 PRESSAVG: 2906800 32.3079 -2.18933 32.8743 -2.18934 16.5999 -25.9074 32.8743 -25.9075 -71.2246 GPRESSAVG: 2906800 32.6297 -2.80948 32.7283 -3.78708 15.6644 -24.672 32.2528 -27.1353 -70.9516 TIMING: 2906800 CPU: 8672.96, 0.00302407/step Wall: 8672.96, 0.00302407/step, 1.75833 hours remaining, 205.937500 MB of memory in use. ENERGY: 2906800 768.1768 2065.2196 1925.1056 125.9617 -206447.8391 17760.2388 0.0000 0.0000 34450.8177 -149352.3187 300.8676 -183803.1365 -149259.2332 299.3090 -21.8931 3.4508 557304.3744 -7.4389 -7.5525 PRESSURE: 2907000 -106.564 83.3695 58.2867 83.3692 -201.175 -72.1832 58.2869 -72.1845 -143.859 GPRESSURE: 2907000 -29.3498 99.203 31.5523 117.826 -158.311 -30.8121 -26.3316 -127.379 -160.531 PRESSAVG: 2907000 -40.0527 35.4267 13.2782 35.4266 48.0459 -23.4128 13.2781 -23.4127 -14.6048 GPRESSAVG: 2907000 -38.9251 37.4964 15.4703 35.4648 47.3468 -23.8903 12.6237 -22.5079 -14.5358 TIMING: 2907000 CPU: 8673.56, 0.00301597/step Wall: 8673.56, 0.00301597/step, 1.75345 hours remaining, 205.937500 MB of memory in use. ENERGY: 2907000 798.1820 2034.5240 1947.4262 106.1125 -206062.0915 17662.4495 0.0000 0.0000 34297.3444 -149216.0529 299.5272 -183513.3973 -149121.3528 298.8585 -150.5328 -116.0640 558225.3057 -2.2039 -2.0380 PRESSURE: 2907200 160.842 -233.497 -212.122 -233.496 159.626 -52.4783 -212.123 -52.4777 -15.7365 GPRESSURE: 2907200 169.929 -227.932 -242.646 -140.385 259.893 -142.594 -219.208 15.4651 -22.4596 PRESSAVG: 2907200 -43.0847 -10.989 5.50523 -10.9889 37.8803 -20.5677 5.50522 -20.5676 -9.40078 GPRESSAVG: 2907200 -43.8341 -12.5805 4.60499 -10.8435 39.3911 -21.9574 4.55383 -20.1393 -10.4015 TIMING: 2907200 CPU: 8674.16, 0.00300869/step Wall: 8674.16, 0.00300869/step, 1.74905 hours remaining, 205.937500 MB of memory in use. ENERGY: 2907200 714.9776 2100.9541 1970.5769 121.8856 -206464.0791 18006.9896 0.0000 0.0000 34476.1093 -149072.5861 301.0884 -183548.6954 -148978.4409 299.5048 101.5772 135.7873 557432.5688 -4.8684 -4.9482 PRESSURE: 2907400 -197.023 -42.0835 -179.064 -42.0827 119.746 21.0109 -179.063 21.0103 -357.358 GPRESSURE: 2907400 -208.408 -51.3511 -158.165 -21.3679 147.347 9.64569 -43.8071 -1.22584 -278.722 PRESSAVG: 2907400 39.6751 -11.2082 -35.9139 -11.2082 54.4339 -33.0154 -35.9139 -33.0153 -73.6152 GPRESSAVG: 2907400 40.6145 -11.5368 -35.5139 -12.2714 52.8918 -31.8832 -32.6363 -33.0025 -72.7634 TIMING: 2907400 CPU: 8674.76, 0.00300539/step Wall: 8674.76, 0.00300539/step, 1.74697 hours remaining, 205.937500 MB of memory in use. ENERGY: 2907400 706.4314 2106.1785 1926.5002 118.9290 -205397.7659 17354.8633 0.0000 0.0000 34205.2973 -148979.5662 298.7234 -183184.8634 -148882.5239 299.2611 -144.8785 -113.2612 559180.1284 6.8312 6.9143 PRESSURE: 2907600 -224.238 -90.6016 0.332286 -90.6019 53.2114 87.6734 0.333708 87.674 158.178 GPRESSURE: 2907600 -168.059 -64.9501 68.9951 -131.13 122.609 82.6863 -19.5547 68.2524 127.432 PRESSAVG: 2907600 -55.2373 -54.166 -28.2824 -54.166 36.9677 -11.7771 -28.2823 -11.7771 1.25794 GPRESSAVG: 2907600 -56.2163 -51.6156 -27.5789 -53.2354 37.5191 -11.6241 -31.0568 -11.6088 1.41631 TIMING: 2907600 CPU: 8675.37, 0.00301507/step Wall: 8675.37, 0.00301506/step, 1.75242 hours remaining, 205.937500 MB of memory in use. ENERGY: 2907600 723.6545 2103.6488 1948.6436 119.4449 -205673.0794 17530.3359 0.0000 0.0000 34501.0119 -148746.3399 301.3059 -183247.3518 -148654.8079 300.1777 -4.2830 27.3270 557994.7198 -5.6706 -5.7603 PRESSURE: 2907800 -161.766 57.7746 149.372 57.7755 -6.32377 70.9395 149.373 70.9383 -164.01 GPRESSURE: 2907800 -137.136 73.5729 130.479 177.866 23.0548 41.7058 152.114 104.056 -125.657 PRESSAVG: 2907800 3.35247 -12.381 23.1987 -12.3812 75.6013 8.68097 23.1987 8.68087 -25.7782 GPRESSAVG: 2907800 2.7438 -13.5841 20.7793 -11.3655 75.3221 7.9074 25.137 8.43297 -26.0429 TIMING: 2907800 CPU: 8675.97, 0.00300361/step Wall: 8675.97, 0.00300361/step, 1.7456 hours remaining, 205.937500 MB of memory in use. ENERGY: 2907800 755.4633 2074.3751 1921.5151 100.5415 -205449.6879 17597.8622 0.0000 0.0000 34154.9689 -148844.9617 298.2838 -182999.9306 -148748.4740 299.8970 -110.7000 -79.9130 558702.3603 17.7252 17.3410 PRESSURE: 2908000 -216.949 -79.8288 -43.5836 -79.8269 -133.196 -37.883 -43.5838 -37.8817 -118.147 GPRESSURE: 2908000 -192.401 -96.4306 -60.8966 -149.829 -107.022 -50.4262 12.1336 -68.6459 -71.7109 PRESSAVG: 2908000 -33.9394 7.86016 -28.8601 7.86009 86.5938 26.0609 -28.86 26.0609 -20.8384 GPRESSAVG: 2908000 -34.3335 7.39667 -27.0346 7.88895 86.267 25.8678 -30.4478 25.5635 -20.587 TIMING: 2908000 CPU: 8676.56, 0.00297968/step Wall: 8676.56, 0.00297968/step, 1.73152 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: 2908000 724.4789 2055.8770 1952.6331 116.8380 -205307.1533 17480.5505 0.0000 0.0000 34097.6330 -148879.1428 297.7831 -182976.7758 -148776.8501 300.0974 -156.0974 -123.7113 558955.5047 10.6054 10.4488 PRESSURE: 2908200 101.94 22.1155 11.6587 22.1147 -415.498 -20.7016 11.6595 -20.7018 -307.625 GPRESSURE: 2908200 147.105 93.5755 61.6301 24.023 -399.628 96.2714 3.78572 -60.7186 -272.309 PRESSAVG: 2908200 21.8627 -10.5948 -48.4089 -10.5947 -65.495 -19.1501 -48.4089 -19.1501 54.6517 GPRESSAVG: 2908200 22.1286 -9.9124 -50.0607 -10.5722 -64.6351 -19.3975 -44.7678 -17.7218 53.5271 TIMING: 2908200 CPU: 8677.17, 0.00303166/step Wall: 8677.17, 0.00303166/step, 1.76157 hours remaining, 205.937500 MB of memory in use. ENERGY: 2908200 732.8988 2092.5801 1921.1738 113.7528 -205423.8957 17336.3455 0.0000 0.0000 34401.9842 -148825.1604 300.4411 -183227.1447 -148730.0604 299.7169 -207.0610 -174.9441 559679.0078 3.6731 3.6735 LDB: ============= START OF LOAD BALANCING ============== 8680.6 LDB: ============== END OF LOAD BALANCING =============== 8680.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8680.6 LDB: ============= START OF LOAD BALANCING ============== 8680.91 LDB: Largest compute 4819 load 0.030208 is 25.6% of average load 0.118022 LDB: Average compute 0.001739 is 1.5% of average load 0.118022 LDB: TIME 8680.91 LOAD: AVG 0.118022 MAX 0.213389 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.914 MB LDB: TIME 8680.91 LOAD: AVG 0.118022 MAX 0.213389 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.918 MB LDB: TIME 8680.91 LOAD: AVG 0.118022 MAX 0.213389 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8680.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8680.92 PRESSURE: 2908400 -107.797 -162.103 -76.8239 -162.103 -9.88677 -17.3643 -76.8252 -17.365 19.7859 GPRESSURE: 2908400 -117.034 -123.295 -99.7141 -231.401 78.2144 -47.8242 -48.1825 56.7605 43.9599 PRESSAVG: 2908400 -26.1376 -1.72721 -26.5897 -1.72711 -24.8355 -16.9559 -26.5896 -16.9559 45.997 GPRESSAVG: 2908400 -26.1566 0.510978 -25.0759 -3.16701 -25.9093 -16.5436 -27.881 -17.7034 46.1838 TIMING: 2908400 CPU: 8677.79, 0.00308934/step Wall: 8677.79, 0.00308934/step, 1.7949 hours remaining, 204.917969 MB of memory in use. ENERGY: 2908400 768.7223 1990.7594 1945.1486 105.6491 -205679.1702 17692.6866 0.0000 0.0000 34277.4412 -148898.7631 299.3534 -183176.2043 -148811.2844 299.7162 -32.6327 1.7134 557409.0534 -1.6587 -1.9607 PRESSURE: 2908600 -154.905 118.639 21.614 118.638 -94.6779 61.3574 21.6141 61.356 -38.8331 GPRESSURE: 2908600 -161.222 68.457 63.7267 263.95 -54.349 130.133 -20.69 24.988 21.4264 PRESSAVG: 2908600 -31.2316 -0.0893439 -31.5519 -0.0894095 -39.6113 21.8712 -31.5519 21.8712 63.5432 GPRESSAVG: 2908600 -32.0693 -0.0800947 -30.4967 0.816889 -37.4998 22.9383 -31.8396 21.6891 62.5117 TIMING: 2908600 CPU: 8678.39, 0.00304383/step Wall: 8678.39, 0.00304383/step, 1.7683 hours remaining, 204.917969 MB of memory in use. ENERGY: 2908600 749.9432 2132.5187 1935.5061 108.3097 -205623.6240 17555.0355 0.0000 0.0000 34249.8350 -148892.4758 299.1123 -183142.3107 -148792.4640 300.3547 -96.1388 -64.7149 558138.7472 -2.4332 -2.3525 PRESSURE: 2908800 -140.65 -33.6162 73.0839 -33.6159 -80.0701 -34.1945 73.084 -34.1961 65.3681 GPRESSURE: 2908800 -107.218 -143.515 69.5427 3.33435 -50.3147 -61.8155 69.3919 -44.0518 105.782 PRESSAVG: 2908800 37.6466 -30.1161 -24.1381 -30.1161 -24.5948 -44.1013 -24.1382 -44.1012 -22.4772 GPRESSAVG: 2908800 39.4172 -30.3744 -24.7088 -29.1138 -26.708 -45.2669 -25.2708 -43.6537 -22.1231 TIMING: 2908800 CPU: 8679, 0.0030402/step Wall: 8679, 0.0030402/step, 1.76602 hours remaining, 204.917969 MB of memory in use. ENERGY: 2908800 714.6559 2092.5814 1951.5226 105.0581 -205715.2059 17630.6116 0.0000 0.0000 34502.5487 -148718.2276 301.3193 -183220.7764 -148622.5238 300.2593 -51.7839 -17.2500 558685.6862 -3.1418 -3.1380 PRESSURE: 2909000 256.393 117.649 -65.6341 117.65 29.6227 84.3217 -65.6344 84.3213 379.014 GPRESSURE: 2909000 306.891 61.4219 -163.631 94.5239 14.8518 68.4308 -33.9986 161.44 453.986 PRESSAVG: 2909000 -13.8767 -10.8493 40.9897 -10.8493 35.3235 -30.9728 40.9895 -30.9731 52.7584 GPRESSAVG: 2909000 -14.289 -12.2948 39.5591 -11.132 35.9504 -29.9248 39.8023 -32.3409 52.6641 TIMING: 2909000 CPU: 8679.61, 0.00302344/step Wall: 8679.61, 0.00302344/step, 1.75611 hours remaining, 204.917969 MB of memory in use. ENERGY: 2909000 753.8872 2071.7718 1954.1812 116.5250 -206183.4167 18096.5261 0.0000 0.0000 34480.5491 -148709.9764 301.1272 -183190.5254 -148611.7685 300.3048 221.6768 258.5763 558558.6522 24.7351 24.7752 PRESSURE: 2909200 106.346 -190.389 -30.9721 -190.389 211.364 -128.28 -30.9705 -128.28 39.0447 GPRESSURE: 2909200 173.715 -86.2581 19.8474 -216.306 242.975 -95.6315 -35.8997 -205.418 33.3035 PRESSAVG: 2909200 -61.8585 2.45911 5.96049 2.45914 16.2919 -25.0915 5.96049 -25.0915 73.0629 GPRESSAVG: 2909200 -61.7528 3.15394 6.45464 1.5052 15.2663 -26.2216 6.44062 -24.1507 73.5517 TIMING: 2909200 CPU: 8680.22, 0.00304622/step Wall: 8680.22, 0.00304622/step, 1.76918 hours remaining, 204.917969 MB of memory in use. ENERGY: 2909200 770.2391 2103.3918 1930.8772 127.3945 -206069.1103 18012.5623 0.0000 0.0000 34236.2679 -148888.3774 298.9938 -183124.6453 -148795.9340 300.0791 118.9182 149.9980 556869.8991 9.1654 9.0218 PRESSURE: 2909400 -91.4934 -8.84932 -65.1347 -8.84833 -65.427 -101.068 -65.1354 -101.068 -124.127 GPRESSURE: 2909400 -40.8281 0.0638274 -160.613 36.0534 -77.9711 -156.866 17.2355 -112.144 -64.5165 PRESSAVG: 2909400 4.83045 14.664 26.5663 14.664 56.9619 -51.0281 26.5663 -51.0281 -55.2294 GPRESSAVG: 2909400 4.63091 14.0021 27.4244 14.4575 57.9465 -50.4909 25.426 -51.6583 -55.7816 TIMING: 2909400 CPU: 8680.82, 0.00303053/step Wall: 8680.82, 0.00303053/step, 1.75989 hours remaining, 204.917969 MB of memory in use. ENERGY: 2909400 743.2775 2089.1133 1953.9488 109.7359 -205812.1367 17505.8331 0.0000 0.0000 34340.8938 -149069.3343 299.9076 -183410.2281 -148969.0040 299.7980 -93.6824 -61.1053 558187.6737 2.1876 2.2652 PRESSURE: 2909600 -24.8125 15.8149 118.371 15.8148 18.9594 -26.0689 118.37 -26.0672 -19.3946 GPRESSURE: 2909600 2.08747 78.9504 116.049 -25.5467 34.0831 -76.3269 133.032 35.4901 53.8582 PRESSAVG: 2909600 14.8413 -1.02514 19.7522 -1.02512 57.7044 -37.9659 19.7522 -37.9658 -16.8522 GPRESSAVG: 2909600 15.741 0.264589 18.9666 -1.15528 56.1659 -36.2356 20.5703 -39.2349 -15.5492 TIMING: 2909600 CPU: 8681.43, 0.00301367/step Wall: 8681.43, 0.00301367/step, 1.74994 hours remaining, 204.917969 MB of memory in use. ENERGY: 2909600 753.8449 2085.0331 1933.1612 101.8308 -206342.5358 17872.6962 0.0000 0.0000 34335.8744 -149260.0952 299.8637 -183595.9695 -149163.0789 299.4836 -8.4159 30.0096 558147.0742 18.5645 18.7859 PRESSURE: 2909800 -166.343 135.325 -11.7819 135.325 58.8892 77.0575 -11.7819 77.0588 44.3092 GPRESSURE: 2909800 -91.0824 136.479 -90.9761 102.484 19.029 120.968 2.20157 67.9638 110.285 PRESSAVG: 2909800 -3.73037 25.3664 -16.5925 25.3663 -13.0304 29.1583 -16.5924 29.1585 4.21713 GPRESSAVG: 2909800 -4.62641 23.8647 -16.756 26.2439 -12.0906 28.9941 -15.7707 28.7068 3.71642 TIMING: 2909800 CPU: 8682.03, 0.0030372/step Wall: 8682.03, 0.0030372/step, 1.76343 hours remaining, 204.917969 MB of memory in use. ENERGY: 2909800 752.1429 2101.5427 1944.7863 121.4384 -205914.2138 17741.2835 0.0000 0.0000 34018.4395 -149234.5805 297.0915 -183253.0200 -149141.8554 298.5210 -21.0481 12.7437 558203.5603 -4.1812 -4.3335 PRESSURE: 2910000 -404.663 82.889 11.7811 82.8897 102.823 -51.4229 11.7805 -51.4225 -207.642 GPRESSURE: 2910000 -401.372 61.3164 94.72 83.1657 108.47 -84.1604 2.91399 -29.4103 -141.447 PRESSAVG: 2910000 -12.1443 52.0234 -4.80325 52.0235 76.3437 25.7532 -4.80323 25.7532 -38.5538 GPRESSAVG: 2910000 -12.3953 50.5822 -5.03794 50.6614 77.3199 25.5865 -5.24303 26.4975 -39.4902 TIMING: 2910000 CPU: 8682.64, 0.00304687/step Wall: 8682.64, 0.00304687/step, 1.76888 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: 2910000 780.0385 2078.6301 1960.6855 105.1754 -205750.2151 17548.3216 0.0000 0.0000 33996.7150 -149280.6490 296.9018 -183277.3640 -149185.3291 298.7820 -169.8274 -144.7830 558312.1467 8.5485 8.4781 PRESSURE: 2910200 -142.34 -5.5365 34.4926 -5.53536 -164.713 -44.8865 34.4926 -44.8862 151.237 GPRESSURE: 2910200 -122.848 1.76523 65.5747 35.69 -16.4794 50.0609 98.3189 -89.1397 92.1886 PRESSAVG: 2910200 13.8643 -26.7837 1.12221 -26.7837 20.6308 -56.1217 1.12222 -56.1218 2.75413 GPRESSAVG: 2910200 14.2741 -23.936 1.72443 -28.2585 20.1558 -55.7532 2.09344 -56.4258 2.96806 TIMING: 2910200 CPU: 8683.25, 0.00304003/step Wall: 8683.25, 0.00304003/step, 1.76474 hours remaining, 204.917969 MB of memory in use. ENERGY: 2910200 733.1606 2070.1309 1978.6960 110.8190 -206332.2164 17898.5009 0.0000 0.0000 34189.2492 -149351.6598 298.5832 -183540.9090 -149252.6840 298.2230 -51.9386 -15.7129 556561.5145 12.4164 12.4660 PRESSURE: 2910400 -12.1611 -88.3679 137.534 -88.3686 -157.604 -60.6826 137.535 -60.6817 -110.112 GPRESSURE: 2910400 81.9935 -48.628 111.989 -132.293 -113.864 -133.254 171.793 -4.7307 -134.974 PRESSAVG: 2910400 42.3079 15.6065 63.2244 15.6066 -62.6429 -57.2767 63.2244 -57.2767 -9.49401 GPRESSAVG: 2910400 42.3703 14.1319 63.6976 17.6914 -60.8045 -59.4151 61.0589 -55.6837 -10.5891 TIMING: 2910400 CPU: 8683.86, 0.00303174/step Wall: 8683.86, 0.00303174/step, 1.75976 hours remaining, 204.917969 MB of memory in use. ENERGY: 2910400 795.8269 2045.5128 1985.2098 107.4691 -206271.0329 17830.1072 0.0000 0.0000 34258.9048 -149248.0025 299.1915 -183506.9073 -149158.4922 299.0607 -93.2925 -55.6147 558988.8828 -9.9430 -9.6745 PRESSURE: 2910600 -64.9237 -34.1057 5.45319 -34.1046 -93.2184 9.66658 5.45126 9.66775 9.47401 GPRESSURE: 2910600 -36.3196 -6.27425 68.5908 -7.39028 -32.2184 -46.0114 -22.1835 36.7428 19.4424 PRESSAVG: 2910600 -9.95354 20.4464 -23.0833 20.4465 -10.8411 0.249509 -23.0834 0.249469 43.2415 GPRESSAVG: 2910600 -8.73915 19.1266 -24.8833 21.0814 -13.5592 1.0832 -21.9977 0.136096 44.5354 TIMING: 2910600 CPU: 8684.47, 0.00304414/step Wall: 8684.47, 0.00304414/step, 1.76679 hours remaining, 204.917969 MB of memory in use. ENERGY: 2910600 738.5302 2045.5671 1977.8257 111.6037 -206247.6444 17767.0000 0.0000 0.0000 34410.1675 -149196.9503 300.5126 -183607.1178 -149102.0860 299.6170 -49.5560 -16.3652 558382.6918 7.4823 7.4123 PRESSURE: 2910800 141.986 -94.38 -2.49678 -94.3805 18.7928 -94.3891 -2.49603 -94.3896 -132.611 GPRESSURE: 2910800 172.13 -81.4639 58.0975 -133.503 67.6764 -14.4011 -22.4365 -111.177 -104.409 PRESSAVG: 2910800 3.16668 1.62185 -22.109 1.62185 -6.01381 -20.0198 -22.109 -20.0198 -2.66799 GPRESSAVG: 2910800 2.31764 2.02251 -18.8535 0.352094 -5.04737 -18.5467 -24.3305 -21.2663 -2.65586 TIMING: 2910800 CPU: 8685.07, 0.00304233/step Wall: 8685.07, 0.00304233/step, 1.76557 hours remaining, 204.917969 MB of memory in use. ENERGY: 2910800 773.6837 2095.5063 1955.3098 113.2738 -206253.0287 17901.7449 0.0000 0.0000 34186.6675 -149226.8427 298.5607 -183413.5102 -149123.9970 299.1227 9.3892 45.1327 558123.0056 -1.8384 -1.7952 PRESSURE: 2911000 -348.524 -68.5194 25.9169 -68.5189 15.0999 26.5583 25.9163 26.5578 -8.74953 GPRESSURE: 2911000 -320.108 -84.0023 -54.5889 -3.73422 75.7381 -14.143 -8.31421 72.154 -0.155438 PRESSAVG: 2911000 -70.5676 22.9918 -25.8213 22.9918 40.2213 21.811 -25.8212 21.8109 8.5137 GPRESSAVG: 2911000 -71.1426 23.7989 -28.9289 22.6221 40.6409 20.4336 -22.5557 23.0948 8.28709 TIMING: 2911000 CPU: 8685.69, 0.00305592/step Wall: 8685.69, 0.00305592/step, 1.77329 hours remaining, 204.917969 MB of memory in use. ENERGY: 2911000 783.9294 2015.8201 1939.7243 106.1155 -206356.5461 17944.9016 0.0000 0.0000 34343.8345 -149222.2206 299.9332 -183566.0551 -149115.3514 298.9305 -114.0577 -81.5084 558403.4124 -7.2775 -7.4049 PRESSURE: 2911200 -24.5967 32.2836 119.697 32.2843 237.593 -6.21961 119.696 -6.22005 -79.6421 GPRESSURE: 2911200 -10.449 -32.7834 126.987 -31.9268 246.233 -11.2038 248.63 -29.454 -13.1694 PRESSAVG: 2911200 -90.282 28.0334 -17.9267 28.0335 38.874 46.0876 -17.9267 46.0875 43.8708 GPRESSAVG: 2911200 -89.3555 27.151 -15.5093 28.5279 39.5608 45.8073 -17.9781 46.6787 42.9763 TIMING: 2911200 CPU: 8686.29, 0.00303706/step Wall: 8686.29, 0.00303706/step, 1.76217 hours remaining, 204.917969 MB of memory in use. ENERGY: 2911200 771.4809 2078.3338 1953.1314 108.7608 -206192.8857 17742.8981 0.0000 0.0000 34310.8221 -149227.4587 299.6449 -183538.2808 -149133.4010 299.9701 44.4514 74.2048 555718.3150 -2.5124 -2.2728 PRESSURE: 2911400 124.178 88.7953 12.9146 88.7962 65.8778 224.802 12.914 224.803 38.8839 GPRESSURE: 2911400 168.543 73.6596 25.9044 149.519 47.6362 348.932 6.39707 120.249 99.8021 PRESSAVG: 2911400 -52.501 9.53661 17.9408 9.53673 36.0071 37.1025 17.9408 37.1025 54.3321 GPRESSAVG: 2911400 -54.0922 11.1362 16.0561 10.1309 36.0018 38.4895 17.9235 36.9979 55.7232 TIMING: 2911400 CPU: 8686.9, 0.00301321/step Wall: 8686.9, 0.00301321/step, 1.74816 hours remaining, 204.917969 MB of memory in use. ENERGY: 2911400 738.0451 2092.5698 1961.8874 115.6204 -206586.4341 18074.5268 0.0000 0.0000 34265.4992 -149338.2854 299.2491 -183603.7846 -149241.5600 299.7726 76.3132 105.3270 556187.1533 12.6127 12.5443 PRESSURE: 2911600 62.9291 11.3439 -54.6511 11.3446 -99.0625 26.3864 -54.6501 26.3841 -249.84 GPRESSURE: 2911600 72.1991 -42.3105 -85.931 14.7775 -131.559 -63.3706 -3.29295 153.133 -115.048 PRESSAVG: 2911600 -47.101 9.54859 -12.1684 9.54861 -15.8016 -4.3266 -12.1684 -4.32664 60.4486 GPRESSAVG: 2911600 -45.9457 7.00831 -12.4094 8.87184 -17.173 -4.98094 -11.9605 -5.47397 60.1118 TIMING: 2911600 CPU: 8687.51, 0.00306275/step Wall: 8687.51, 0.00306275/step, 1.77674 hours remaining, 204.917969 MB of memory in use. ENERGY: 2911600 752.5698 2155.7438 1970.2403 103.4149 -206234.0545 17806.3181 0.0000 0.0000 34153.7748 -149291.9927 298.2734 -183445.7675 -149193.9051 298.7314 -95.3246 -58.1360 557890.4607 -0.8180 -1.0023 PRESSURE: 2911800 34.7506 -118.346 34.8463 -118.345 345.19 -71.8372 34.8472 -71.8389 168.121 GPRESSURE: 2911800 68.4419 -44.2229 11.8192 -181.231 398.498 -90.4969 -11.1237 3.43132 171.481 PRESSAVG: 2911800 -50.1561 -0.561613 -20.7462 -0.561477 21.7205 16.5086 -20.7462 16.5084 46.2885 GPRESSAVG: 2911800 -51.3666 2.35255 -19.6586 1.95932 22.278 17.87 -22.7185 17.7374 46.8452 TIMING: 2911800 CPU: 8688.12, 0.00306936/step Wall: 8688.12, 0.00306936/step, 1.7804 hours remaining, 204.917969 MB of memory in use. ENERGY: 2911800 756.7202 2078.7190 1931.5743 99.5026 -206461.9738 18025.7682 0.0000 0.0000 34258.7806 -149310.9089 299.1905 -183569.6895 -149215.4856 298.8389 182.6872 212.8070 555936.4522 5.9510 5.9189 PRESSURE: 2912000 141.772 -87.1475 -92.9613 -87.1483 254.248 -67.7172 -92.962 -67.7158 17.4258 GPRESSURE: 2912000 170.931 -135.1 -162.103 -70.5968 243.546 -108.052 -102.648 6.20538 106.996 PRESSAVG: 2912000 -17.1932 -30.1484 -70.445 -30.1485 83.4756 -23.0633 -70.445 -23.0633 -36.8735 GPRESSAVG: 2912000 -17.3715 -32.6105 -69.6328 -31.8797 83.3134 -23.171 -71.383 -24.473 -36.9809 TIMING: 2912000 CPU: 8688.73, 0.0030313/step Wall: 8688.73, 0.0030313/step, 1.75816 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: 2912000 714.5190 2093.4244 1969.7226 107.3173 -206531.1531 18014.3928 0.0000 0.0000 34409.4407 -149222.3364 300.5062 -183631.7771 -149125.5435 298.5773 137.8152 173.8241 557140.1807 9.8030 9.6537 PRESSURE: 2912200 -138.874 77.0501 -149.194 77.0496 160.616 93.0008 -149.194 92.999 29.0051 GPRESSURE: 2912200 -71.4418 20.8865 -174.961 144.879 193.68 120.124 -143.679 39.0667 33.1939 PRESSAVG: 2912200 19.8349 2.67198 -36.1927 2.672 10.8235 24.2352 -36.1926 24.2353 -36.177 GPRESSAVG: 2912200 20.8887 5.74634 -37.2296 1.53807 10.7647 24.3076 -36.3594 25.5064 -36.398 TIMING: 2912200 CPU: 8689.34, 0.00304963/step Wall: 8689.34, 0.00304963/step, 1.76861 hours remaining, 204.917969 MB of memory in use. ENERGY: 2912200 740.1317 2103.0513 1957.7787 107.4209 -206681.4229 18003.6163 0.0000 0.0000 34475.7128 -149293.7113 301.0850 -183769.4241 -149200.1137 299.0706 16.9155 51.8106 556365.1931 -1.8395 -1.5815 LDB: ============= START OF LOAD BALANCING ============== 8692.77 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8692.77 LDB: =============== DONE WITH MIGRATION ================ 8692.77 LDB: ============= START OF LOAD BALANCING ============== 8693.07 LDB: Largest compute 4819 load 0.029586 is 25.1% of average load 0.118062 LDB: Average compute 0.001731 is 1.5% of average load 0.118062 LDB: TIME 8693.08 LOAD: AVG 0.118062 MAX 0.214089 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 8693.08 LOAD: AVG 0.118062 MAX 0.214089 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 8693.08 LOAD: AVG 0.118062 MAX 0.214089 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8693.08 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8693.08 PRESSURE: 2912400 -501.277 57.946 -39.0564 57.9458 -217.172 -14.6201 -39.0566 -14.6196 174.606 GPRESSURE: 2912400 -437.402 0.914827 -86.9972 61.2494 -220.073 44.7174 0.971433 -10.4735 195.264 PRESSAVG: 2912400 -16.1587 47.8666 12.1333 47.8666 45.2858 -22.9626 12.1333 -22.9625 14.5513 GPRESSAVG: 2912400 -15.8094 44.7893 11.182 49.4061 45.3683 -24.2254 13.7588 -21.5885 14.5277 TIMING: 2912400 CPU: 8689.95, 0.00308226/step Wall: 8689.95, 0.00308226/step, 1.78737 hours remaining, 205.941406 MB of memory in use. ENERGY: 2912400 733.9310 2123.0062 1934.9834 103.2295 -206132.5811 17628.7340 0.0000 0.0000 34195.0267 -149413.6704 298.6337 -183608.6971 -149315.9520 298.7589 -181.2810 -154.0703 558591.9939 14.5595 14.6955 PRESSURE: 2912600 -174.953 164.546 78.8604 164.547 17.3649 -330.774 78.862 -330.774 -311.173 GPRESSURE: 2912600 -151.013 0.894934 81.1974 165.968 60.9891 -336.173 59.0183 -254.14 -288.075 PRESSAVG: 2912600 1.86231 23.9177 29.4738 23.9177 0.671157 23.0987 29.4738 23.0987 17.0461 GPRESSAVG: 2912600 2.01639 22.8902 32.2471 23.2253 0.813914 23.3607 28.2603 20.879 16.4241 TIMING: 2912600 CPU: 8690.56, 0.00303535/step Wall: 8690.56, 0.00303535/step, 1.75999 hours remaining, 205.941406 MB of memory in use. ENERGY: 2912600 776.6494 2104.9042 1942.7212 115.9658 -206067.1038 17469.4659 0.0000 0.0000 34294.9481 -149362.4492 299.5063 -183657.3973 -149264.9443 299.0258 -156.2537 -126.0329 557798.3193 6.5265 6.4181 PRESSURE: 2912800 -58.6292 19.4169 34.4171 19.4173 0.109739 112.885 34.4172 112.885 -304.787 GPRESSURE: 2912800 -5.65421 -41.6935 34.3444 19.1907 9.80901 62.3531 78.9082 149.927 -265.889 PRESSAVG: 2912800 -42.3972 24.0034 -7.65747 24.0034 37.2408 -59.7101 -7.65738 -59.7101 9.10067 GPRESSAVG: 2912800 -43.916 25.0415 -10.4334 23.4504 36.5779 -59.6025 -4.60221 -58.6978 10.5621 TIMING: 2912800 CPU: 8691.17, 0.00304513/step Wall: 8691.17, 0.00304513/step, 1.7655 hours remaining, 205.941406 MB of memory in use. ENERGY: 2912800 725.9257 2081.7019 1955.3022 107.1114 -206169.5545 17726.4543 0.0000 0.0000 34124.3042 -149448.7548 298.0160 -183573.0589 -149358.2701 298.7998 -121.1021 -87.2446 559174.4640 1.3148 1.0746 PRESSURE: 2913000 -34.7375 -171.98 6.93002 -171.981 137.231 -91.6545 6.93059 -91.6555 -85.6822 GPRESSURE: 2913000 23.5474 -173.705 37.471 -220.774 105.376 -62.3948 -35.3771 -53.5009 -33.0271 PRESSAVG: 2913000 -27.3976 20.7953 57.5417 20.7954 4.98571 -39.5735 57.5416 -39.5735 -0.9472 GPRESSAVG: 2913000 -27.5859 21.4668 58.9895 21.8464 5.14207 -40.1764 54.2369 -38.4601 -0.994633 TIMING: 2913000 CPU: 8691.78, 0.00307135/step Wall: 8691.78, 0.00307135/step, 1.78053 hours remaining, 205.941406 MB of memory in use. ENERGY: 2913000 765.3552 2050.8560 1952.7137 125.0131 -206396.5204 17907.5706 0.0000 0.0000 34160.6678 -149434.3440 298.3336 -183595.0119 -149345.8936 297.7267 5.6038 31.9655 557238.9406 -7.7864 -7.8128 PRESSURE: 2913200 -105.873 191.958 -200.279 191.958 24.6857 3.43786 -200.28 3.43753 54.1106 GPRESSURE: 2913200 -90.4267 177.467 -229.951 214.474 62.2444 -10.0122 -217.749 -52.8861 95.2997 PRESSAVG: 2913200 -28.2483 8.8322 21.7622 8.83221 21.954 -2.49036 21.7621 -2.49041 69.6801 GPRESSAVG: 2913200 -27.723 7.74644 22.1622 10.1612 22.2267 -1.25054 23.2542 -2.11318 68.7427 TIMING: 2913200 CPU: 8692.39, 0.00302304/step Wall: 8692.39, 0.00302304/step, 1.75236 hours remaining, 205.941406 MB of memory in use. ENERGY: 2913200 737.9135 2049.8553 1948.8070 114.5381 -206130.6470 17690.3097 0.0000 0.0000 34324.9733 -149264.2502 299.7685 -183589.2235 -149158.5025 299.1028 -9.0255 22.3724 556585.0770 21.1286 21.0821 PRESSURE: 2913400 -11.2393 57.3451 -79.9 57.346 -216.117 -97.1868 -79.901 -97.1861 216.911 GPRESSURE: 2913400 54.3013 68.6396 -59.4925 19.3473 -147.236 -35.0481 -94.7885 -112.905 185.942 PRESSAVG: 2913400 -86.9597 17.5512 -20.8548 17.5512 68.5109 -8.32399 -20.8548 -8.32387 38.8038 GPRESSAVG: 2913400 -86.1389 19.8395 -23.8093 14.8454 68.5675 -8.50823 -19.8789 -8.96176 38.8324 TIMING: 2913400 CPU: 8692.99, 0.00301602/step Wall: 8692.99, 0.00301602/step, 1.74812 hours remaining, 205.941406 MB of memory in use. ENERGY: 2913400 755.9706 2034.7439 1950.4929 109.3603 -206031.3069 17589.2465 0.0000 0.0000 34398.4855 -149193.0072 300.4105 -183591.4927 -149100.1177 299.3106 -3.4815 31.0022 557266.5318 6.7850 7.0870 PRESSURE: 2913600 -21.8093 166.007 32.9892 166.006 208.791 71.9666 32.9893 71.9658 -10.459 GPRESSURE: 2913600 17.648 136.442 97.471 158.105 202.753 115.958 6.67594 56.4774 53.5104 PRESSAVG: 2913600 -27.3639 50.1247 12.9757 50.1247 12.2658 -39.8171 12.9757 -39.8173 109.719 GPRESSAVG: 2913600 -27.6267 47.0081 15.0469 53.1003 12.2217 -40.184 12.4942 -41.3875 110.132 TIMING: 2913600 CPU: 8693.6, 0.0030201/step Wall: 8693.6, 0.0030201/step, 1.75032 hours remaining, 205.941406 MB of memory in use. ENERGY: 2913600 747.7245 2081.6841 1949.6281 119.0774 -206405.2169 17955.8286 0.0000 0.0000 34198.4623 -149352.8119 298.6637 -183551.2742 -149254.8878 299.7761 58.8409 91.3038 556281.5297 31.5404 31.5756 PRESSURE: 2913800 75.9194 26.5718 -98.279 26.5722 380.863 69.697 -98.2786 69.6968 282.403 GPRESSURE: 2913800 156.411 12.3449 -83.6317 41.3277 341.415 -13.7593 -150.67 72.37 335.042 PRESSAVG: 2913800 31.2033 68.8801 -28.606 68.8802 4.41367 17.2628 -28.606 17.2627 -32.1253 GPRESSAVG: 2913800 31.2915 70.7269 -27.6981 68.2558 4.43942 17.2536 -28.8874 18.8518 -32.3218 TIMING: 2913800 CPU: 8694.2, 0.00303517/step Wall: 8694.2, 0.00303517/step, 1.75888 hours remaining, 205.941406 MB of memory in use. ENERGY: 2913800 754.2787 2090.4219 1934.6212 123.3726 -206849.0918 18156.7684 0.0000 0.0000 34385.7498 -149403.8792 300.2993 -183789.6290 -149313.7531 299.2012 246.3953 277.6225 556025.5694 1.1639 1.1364 PRESSURE: 2914000 213.988 -59.2089 38.8039 -59.2093 -171.403 79.7417 38.8035 79.7393 -43.312 GPRESSURE: 2914000 233.128 -11.7637 -9.23137 -43.2473 -132.158 158.251 47.3296 -57.4284 15.6161 PRESSAVG: 2914000 1.35219 4.28311 -7.65047 4.28312 19.6187 -0.125853 -7.65045 -0.125875 26.4719 GPRESSAVG: 2914000 1.72232 4.27253 -7.82151 3.09657 20.002 0.830957 -8.48966 -2.32299 25.972 TIMING: 2914000 CPU: 8694.81, 0.0030325/step Wall: 8694.81, 0.0030325/step, 1.75717 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: 2914000 753.2574 2072.8245 1959.8656 117.7585 -206545.3051 17952.5824 0.0000 0.0000 34378.4604 -149310.5564 300.2356 -183689.0168 -149216.8132 299.1904 -0.2422 38.8621 556891.4951 15.8142 15.8988 PRESSURE: 2914200 -17.5225 -20.2841 88.0421 -20.2836 -284.744 32.205 88.043 32.204 -323.571 GPRESSURE: 2914200 -6.777 5.46652 169.107 -59.6934 -305.101 66.697 19.3286 32.8326 -212.445 PRESSAVG: 2914200 20.0773 37.0484 -38.3547 37.0483 -31.7017 12.4265 -38.3547 12.4266 30.8517 GPRESSAVG: 2914200 20.355 38.9375 -36.4361 36.8015 -31.8325 9.84836 -38.64 14.1853 30.6827 TIMING: 2914200 CPU: 8695.42, 0.00305844/step Wall: 8695.42, 0.00305844/step, 1.77203 hours remaining, 205.941406 MB of memory in use. ENERGY: 2914200 757.8253 2076.3188 1929.3748 114.9583 -206270.4955 17703.1770 0.0000 0.0000 34376.9634 -149311.8779 300.2226 -183688.8413 -149213.0912 299.1508 -208.6126 -174.7743 557676.9220 6.4091 6.4018 PRESSURE: 2914400 43.8098 -73.3813 -38.3406 -73.3811 250.038 99.3137 -38.3411 99.3143 -206.43 GPRESSURE: 2914400 68.039 -76.3902 -3.05778 -86.3196 273.013 97.1744 -90.2171 6.20672 -140.958 PRESSAVG: 2914400 -31.0678 -2.18726 -6.39831 -2.18722 47.857 19.7978 -6.39827 19.7979 13.7161 GPRESSAVG: 2914400 -31.0499 -3.31288 -9.9146 -2.84579 47.233 22.0707 -4.40831 18.7151 14.2088 TIMING: 2914400 CPU: 8696.03, 0.00304433/step Wall: 8696.03, 0.00304433/step, 1.76368 hours remaining, 205.941406 MB of memory in use. ENERGY: 2914400 757.8909 2106.0622 1955.5290 103.7323 -206292.6929 17815.8342 0.0000 0.0000 34308.5872 -149245.0570 299.6254 -183553.6442 -149146.9585 299.3132 29.1392 66.6979 557158.4786 10.1684 10.1306 PRESSURE: 2914600 -14.7072 90.1457 -142.18 90.1452 78.352 83.0035 -142.181 83.0033 -149.732 GPRESSURE: 2914600 15.9448 158.86 -149.569 33.3805 86.5349 64.1862 -158.167 111.025 -97.4019 PRESSAVG: 2914600 -31.1982 -25.0081 -34.6291 -25.0082 75.183 3.56578 -34.6291 3.56574 -7.788 GPRESSAVG: 2914600 -31.4354 -24.4848 -30.6971 -23.9733 75.5958 2.74527 -37.9607 5.04539 -7.70814 TIMING: 2914600 CPU: 8696.64, 0.00305528/step Wall: 8696.64, 0.00305528/step, 1.76985 hours remaining, 205.941406 MB of memory in use. ENERGY: 2914600 760.7466 2090.9377 1948.4427 114.9220 -206145.9449 17614.7306 0.0000 0.0000 34304.9960 -149311.1694 299.5941 -183616.1655 -149219.5392 298.3740 -28.6958 1.6926 557067.3599 12.0656 12.1507 PRESSURE: 2914800 -35.0572 101.799 -62.1983 101.799 20.599 47.7132 -62.199 47.7129 213.271 GPRESSURE: 2914800 -15.0395 205.537 -102.242 -7.33597 81.3667 56.4382 -26.1043 67.0949 230.171 PRESSAVG: 2914800 16.2044 20.1081 -57.2764 20.1081 -11.7356 -5.53261 -57.2764 -5.53278 -12.4815 GPRESSAVG: 2914800 15.6686 20.9941 -61.2298 17.9022 -11.9926 -5.83853 -54.4194 -6.88556 -12.1225 TIMING: 2914800 CPU: 8697.25, 0.00302751/step Wall: 8697.25, 0.00302751/step, 1.7536 hours remaining, 205.941406 MB of memory in use. ENERGY: 2914800 790.0597 2101.4212 1951.5881 132.6011 -206535.7124 17999.2897 0.0000 0.0000 34109.9106 -149450.8420 297.8903 -183560.7526 -149366.0490 298.5303 66.2708 98.8327 556896.3713 -2.6709 -2.8155 PRESSURE: 2915000 -7.69056 -92.5297 -10.6418 -92.5304 -33.7448 -99.7048 -10.6419 -99.7049 124.38 GPRESSURE: 2915000 -3.22568 -50.5359 19.3125 -175.455 8.99604 -151.455 -73.0335 -23.4857 163.95 PRESSAVG: 2915000 -23.1532 1.80323 -55.4059 1.80316 34.6296 -57.0836 -55.4059 -57.0836 -11.7392 GPRESSAVG: 2915000 -22.7015 -0.280031 -54.4037 2.78916 36.3416 -56.9664 -55.5214 -57.0941 -13.7827 TIMING: 2915000 CPU: 8697.85, 0.00302002/step Wall: 8697.85, 0.00302002/step, 1.74909 hours remaining, 205.941406 MB of memory in use. ENERGY: 2915000 710.7765 2123.5550 1949.6035 112.8126 -206254.8179 17766.5144 0.0000 0.0000 34172.4737 -149419.0822 298.4367 -183591.5559 -149323.1120 298.0290 27.6483 56.5736 557813.2911 -0.0876 -0.0475 PRESSURE: 2915200 2.24809 50.6193 -31.627 50.6186 34.9657 48.2858 -31.6272 48.2857 -5.32381 GPRESSURE: 2915200 36.6153 4.31937 -61.0869 83.4305 48.928 162.54 4.88567 -0.56822 52.2978 PRESSAVG: 2915200 9.57636 2.56397 -48.5255 2.56389 -26.4134 -30.3553 -48.5254 -30.3552 1.80539 GPRESSAVG: 2915200 10.7636 5.01247 -47.6109 2.03142 -28.8213 -29.1326 -49.3189 -32.1324 2.90103 TIMING: 2915200 CPU: 8698.46, 0.00304594/step Wall: 8698.46, 0.00304594/step, 1.76394 hours remaining, 205.941406 MB of memory in use. ENERGY: 2915200 749.4247 2065.5515 1968.4170 99.2845 -206274.7124 17840.6642 0.0000 0.0000 34066.4464 -149484.9240 297.5107 -183551.3704 -149383.9738 298.1740 10.6300 45.9470 557271.5426 -5.0105 -5.0522 PRESSURE: 2915400 287.275 -196.886 -203.583 -196.887 -14.7733 51.8344 -203.582 51.8336 73.0881 GPRESSURE: 2915400 334.478 -211.3 -179.292 -191.48 -7.63347 86.3998 -290.877 69.6848 118.252 PRESSAVG: 2915400 40.0018 -77.0846 3.89887 -77.0846 -64.7511 -7.93003 3.89891 -7.93012 -27.583 GPRESSAVG: 2915400 40.038 -78.0701 4.53238 -78.1475 -63.4074 -7.44133 5.09984 -5.28079 -27.9691 TIMING: 2915400 CPU: 8699.07, 0.00304495/step Wall: 8699.07, 0.00304495/step, 1.7632 hours remaining, 205.941406 MB of memory in use. ENERGY: 2915400 736.2613 2133.3983 1950.3516 124.8902 -206488.5133 17874.0429 0.0000 0.0000 34384.7846 -149284.7843 300.2909 -183669.5689 -149179.8855 299.0501 115.1965 148.3655 556211.1773 -17.4441 -17.1128 PRESSURE: 2915600 99.3234 -85.0674 34.0577 -85.0676 -233.828 -146.971 34.0576 -146.971 271.773 GPRESSURE: 2915600 147.972 -94.4708 -44.4096 -144.01 -201.67 -119.031 94.6288 -130.133 272.588 PRESSAVG: 2915600 -6.07039 -33.1951 12.5992 -33.1951 26.4419 13.5672 12.5992 13.5671 16.4509 GPRESSAVG: 2915600 -5.80062 -32.7119 13.8252 -31.8151 25.9176 11.5754 10.6682 14.9637 16.7251 TIMING: 2915600 CPU: 8699.68, 0.0030332/step Wall: 8699.68, 0.0030332/step, 1.75622 hours remaining, 205.941406 MB of memory in use. ENERGY: 2915600 730.9986 2112.8761 1965.6803 125.1040 -206123.0548 17602.3149 0.0000 0.0000 34339.4090 -149246.6720 299.8946 -183586.0810 -149154.3831 299.5786 45.7561 72.9630 557001.3588 12.2741 12.2807 PRESSURE: 2915800 -95.9469 -88.7804 -70.0887 -88.7792 45.2306 86.3263 -70.0896 86.3242 -43.2453 GPRESSURE: 2915800 -87.0843 -110.673 32.9463 -7.31694 108.909 45.8822 -88.6 170.49 0.34357 PRESSAVG: 2915800 39.5948 24.5638 17.6379 24.5638 -65.4478 24.4972 17.6378 24.4972 12.6334 GPRESSAVG: 2915800 40.0385 22.1344 16.7453 24.2359 -66.702 25.3459 18.3143 24.1649 13.4172 TIMING: 2915800 CPU: 8700.29, 0.00309039/step Wall: 8700.29, 0.00309039/step, 1.78917 hours remaining, 205.941406 MB of memory in use. ENERGY: 2915800 760.0798 2130.6708 1965.9209 114.8060 -206063.8129 17631.4166 0.0000 0.0000 34259.1630 -149201.7558 299.1938 -183460.9188 -149101.1207 299.4182 -31.3205 7.3895 556479.8809 -4.4066 -4.4154 PRESSURE: 2916000 229.922 -105.647 213.192 -105.647 -227.057 7.40396 213.192 7.4026 112.487 GPRESSURE: 2916000 211.598 -149.251 236.929 -18.4173 -184.573 94.3892 135.432 -53.9255 183.366 PRESSAVG: 2916000 -3.1556 -12.1117 -11.8317 -12.1117 38.2631 -17.9415 -11.8317 -17.9415 8.43628 GPRESSAVG: 2916000 -3.82764 -12.2863 -12.6116 -9.39899 40.2444 -19.1966 -10.0918 -18.8916 6.53133 TIMING: 2916000 CPU: 8700.9, 0.0030507/step Wall: 8700.9, 0.0030507/step, 1.76602 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: 2916000 762.1202 2132.9850 1933.5652 106.4485 -206300.1581 17835.0838 0.0000 0.0000 34525.6406 -149004.3147 301.5210 -183529.9553 -148906.8464 299.6609 38.4506 70.1303 557067.6540 14.5146 14.3160 PRESSURE: 2916200 -140.274 98.7995 -67.7387 98.8009 37.5459 -5.32287 -67.7377 -5.32258 76.6057 GPRESSURE: 2916200 -117.269 122.759 -87.109 -19.9127 91.8987 -19.7445 15.5858 58.6265 87.6382 PRESSAVG: 2916200 -0.1605 19.3124 -1.11501 19.3125 -6.0721 3.01547 -1.1151 3.01544 23.6313 GPRESSAVG: 2916200 -0.59637 20.1371 -1.15566 17.4202 -6.62188 2.83974 -1.73762 2.2427 24.3774 TIMING: 2916200 CPU: 8701.51, 0.00300614/step Wall: 8701.51, 0.00300614/step, 1.74005 hours remaining, 205.941406 MB of memory in use. ENERGY: 2916200 778.0977 2029.3234 1947.2786 110.9385 -206047.0368 17871.0819 0.0000 0.0000 34404.4895 -148905.8272 300.4630 -183310.3167 -148804.3699 299.8021 -8.7074 20.7560 557550.2922 5.7996 5.7197 LDB: ============= START OF LOAD BALANCING ============== 8704.94 LDB: ============== END OF LOAD BALANCING =============== 8704.94 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8704.94 LDB: ============= START OF LOAD BALANCING ============== 8705.24 LDB: Largest compute 4819 load 0.029742 is 25.2% of average load 0.118091 LDB: Average compute 0.001733 is 1.5% of average load 0.118091 LDB: TIME 8705.25 LOAD: AVG 0.118091 MAX 0.215686 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 8705.25 LOAD: AVG 0.118091 MAX 0.215686 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 8705.25 LOAD: AVG 0.118091 MAX 0.215686 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 8705.25 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8705.25 PRESSURE: 2916400 -168.602 53.5247 -2.6931 53.5251 -39.4311 87.3716 -2.69349 87.3709 -75.8108 GPRESSURE: 2916400 -49.9556 96.3161 66.0833 -18.5936 -56.5704 146.291 -94.323 -29.0901 -80.8356 PRESSAVG: 2916400 -36.3663 -41.2469 -10.3348 -41.2467 34.2975 41.9903 -10.3348 41.9904 29.8848 GPRESSAVG: 2916400 -36.2337 -41.6607 -9.24146 -41.0347 34.958 43.3558 -12.3589 42.457 29.4028 TIMING: 2916400 CPU: 8702.12, 0.00309175/step Wall: 8702.12, 0.00309175/step, 1.78944 hours remaining, 205.429688 MB of memory in use. ENERGY: 2916400 754.9173 2074.2382 1948.0314 111.6466 -206003.3715 17686.4033 0.0000 0.0000 34338.8974 -149089.2373 299.8901 -183428.1347 -148998.5196 300.3304 -94.6145 -62.4539 558753.8439 9.2720 9.3757 PRESSURE: 2916600 274.908 -187.677 -36.7113 -187.677 -86.9915 20.6392 -36.711 20.6395 68.8131 GPRESSURE: 2916600 275.464 -213.125 -1.71425 -150.428 -4.59722 67.9705 -85.9262 -23.0366 76.6518 PRESSAVG: 2916600 -40.3694 -21.7827 -19.0502 -21.7827 33.1897 8.52084 -19.0502 8.5207 12.4563 GPRESSAVG: 2916600 -40.1245 -20.1469 -18.5392 -23.586 31.3904 9.64181 -19.9127 5.93495 13.9376 TIMING: 2916600 CPU: 8702.74, 0.00306324/step Wall: 8702.74, 0.00306324/step, 1.77277 hours remaining, 205.429688 MB of memory in use. ENERGY: 2916600 730.5840 2136.6861 1944.0907 107.2331 -206500.9719 18176.8956 0.0000 0.0000 34183.1143 -149222.3681 298.5296 -183405.4823 -149121.4148 299.6439 85.5767 115.8396 558599.1972 1.7589 1.7345 PRESSURE: 2916800 -105.078 -73.5452 15.1434 -73.5458 -160.355 33.72 15.1434 33.7188 -136.366 GPRESSURE: 2916800 -92.7405 -24.0374 4.00823 -81.7991 -154.324 -1.99839 0.57961 66.0084 -56.1184 PRESSAVG: 2916800 38.7973 -30.9101 32.767 -30.9101 -6.15563 34.7872 32.7669 34.7873 -23.6919 GPRESSAVG: 2916800 38.2904 -31.9041 30.3629 -31.0562 -5.64921 32.0108 33.4994 36.8728 -23.5869 TIMING: 2916800 CPU: 8703.34, 0.00302741/step Wall: 8703.34, 0.00302741/step, 1.75186 hours remaining, 205.429688 MB of memory in use. ENERGY: 2916800 741.5138 2111.4696 1930.0696 116.1043 -206039.6923 17766.1188 0.0000 0.0000 34204.2590 -149170.1573 298.7143 -183374.4163 -149072.7349 299.4827 -133.9333 -101.0609 559867.9929 2.9833 3.0181 PRESSURE: 2917000 -27.9245 34.0038 -196.503 34.0041 -360.573 -31.1859 -196.504 -31.1864 -11.661 GPRESSURE: 2917000 3.93315 51.4497 -211.243 -54.574 -377.08 -61.6332 -182.598 44.561 73.5499 PRESSAVG: 2917000 30.7303 -26.8851 38.0605 -26.8851 -32.4877 -31.3174 38.0605 -31.3174 12.4358 GPRESSAVG: 2917000 31.1147 -27.4158 39.5692 -26.1758 -32.938 -32.4505 39.2143 -28.5908 12.4705 TIMING: 2917000 CPU: 8703.94, 0.00301396/step Wall: 8703.94, 0.00301396/step, 1.74391 hours remaining, 205.429688 MB of memory in use. ENERGY: 2917000 762.5999 2128.9879 1922.8842 105.1884 -206275.8097 17863.9347 0.0000 0.0000 34318.0035 -149174.2111 299.7077 -183492.2145 -149081.4980 299.0175 -133.3863 -99.8658 559171.4773 3.5595 3.5490 PRESSURE: 2917200 -191.821 148.108 37.0391 148.109 -54.6952 36.804 37.0391 36.8055 31.4531 GPRESSURE: 2917200 -149.614 197.809 101.004 85.4181 -1.69561 -0.346129 -72.2585 131.705 38.5392 PRESSAVG: 2917200 1.43753 1.82121 -22.6264 1.82116 9.54223 66.8028 -22.6263 66.8029 -19.1938 GPRESSAVG: 2917200 1.93127 2.95248 -22.033 2.06308 10.4011 66.4542 -23.3132 64.5014 -19.938 TIMING: 2917200 CPU: 8704.55, 0.00304546/step Wall: 8704.55, 0.00304546/step, 1.76197 hours remaining, 205.429688 MB of memory in use. ENERGY: 2917200 777.0984 2102.0621 1932.3817 121.2358 -206164.0605 17922.8537 0.0000 0.0000 34151.0453 -149157.3836 298.2496 -183308.4289 -149062.6138 299.1307 -71.6878 -37.5902 559223.9510 -2.7380 -2.5352 PRESSURE: 2917400 -65.6299 115.928 229.75 115.927 -214.973 69.2204 229.751 69.2207 -22.1973 GPRESSURE: 2917400 -14.9563 63.1028 346.435 135.955 -157.127 91.6212 100.951 47.182 -18.2965 PRESSAVG: 2917400 -23.2588 13.0793 29.1494 13.0793 -5.02925 28.5645 29.1494 28.5645 65.6613 GPRESSAVG: 2917400 -23.7558 12.5608 29.4675 13.0492 -4.66804 32.5279 28.0329 26.718 65.9246 TIMING: 2917400 CPU: 8705.16, 0.00304666/step Wall: 8705.16, 0.00304666/step, 1.76249 hours remaining, 205.429688 MB of memory in use. ENERGY: 2917400 767.6771 2048.0078 1948.1657 110.1867 -205979.5036 17615.8156 0.0000 0.0000 34523.1300 -148966.5208 301.4991 -183489.6507 -148865.6847 299.5666 -100.9335 -63.4598 557987.2391 12.4577 12.5002 PRESSURE: 2917600 -40.7339 91.9896 50.7591 91.9897 46.6933 64.6097 50.7577 64.6106 -76.8301 GPRESSURE: 2917600 18.2724 58.8462 11.6535 51.8733 9.53356 65.9913 100.298 91.4294 10.0595 PRESSAVG: 2917600 -70.2516 44.76 33.336 44.7601 42.0662 -3.84134 33.3361 -3.84129 27.179 GPRESSAVG: 2917600 -69.3724 43.8239 31.2973 45.0248 41.2707 -5.82605 35.0697 -2.83792 27.001 TIMING: 2917600 CPU: 8705.78, 0.00307203/step Wall: 8705.78, 0.00307203/step, 1.777 hours remaining, 205.429688 MB of memory in use. ENERGY: 2917600 732.2174 2201.3826 1918.9663 105.4042 -205968.1391 17749.4963 0.0000 0.0000 34455.4314 -148805.2408 300.9079 -183260.6723 -148708.6461 300.5469 -23.6235 12.6218 558052.3465 -0.3355 -0.3669 PRESSURE: 2917800 -89.1557 27.8068 -75.7046 27.8082 -206.655 -16.6786 -75.7037 -16.6797 103.591 GPRESSURE: 2917800 -76.2928 -121.49 -35.6438 56.8115 -189.241 -9.37074 -104.02 -38.2494 167.051 PRESSAVG: 2917800 20.1372 -14.036 23.567 -14.036 -13.0029 40.6853 23.567 40.6852 -5.18041 GPRESSAVG: 2917800 19.5321 -14.608 25.7501 -13.7651 -11.6025 40.563 25.0338 39.9274 -5.96247 TIMING: 2917800 CPU: 8706.39, 0.00306356/step Wall: 8706.39, 0.00306356/step, 1.77193 hours remaining, 205.429688 MB of memory in use. ENERGY: 2917800 719.3161 2081.7693 1938.8807 119.1372 -205664.7512 17688.4184 0.0000 0.0000 34229.2137 -148888.0158 298.9322 -183117.2294 -148795.5704 300.6052 -64.0734 -32.8277 558897.9977 0.6513 0.6557 PRESSURE: 2918000 -194.522 -50.567 92.4327 -50.5675 57.2435 -149.682 92.4325 -149.683 105.151 GPRESSURE: 2918000 -133.837 -39.7238 28.4966 -62.1451 95.8419 -132.928 180.763 -64.2492 105.409 PRESSAVG: 2918000 -61.6425 -48.8906 1.26519 -48.8906 11.4268 -1.68186 1.2652 -1.68185 50.3425 GPRESSAVG: 2918000 -60.2272 -47.9944 -2.22211 -51.3151 9.52528 -0.422361 0.879875 0.153454 50.8032 TIMING: 2918000 CPU: 8707, 0.00305058/step Wall: 8707, 0.00305058/step, 1.76425 hours remaining, 205.429688 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: 2918000 742.8082 2086.9745 1918.7938 106.7329 -205984.2366 17795.8588 0.0000 0.0000 34267.8974 -149065.1709 299.2701 -183333.0683 -148970.9816 300.0356 -10.7092 22.4713 557373.8997 0.0423 0.0338 PRESSURE: 2918200 69.9983 -88.098 39.0859 -88.0984 47.5411 -87.5862 39.0859 -87.588 -25.6388 GPRESSURE: 2918200 81.6688 -167.02 84.0846 -9.53247 47.8238 -2.68752 -18.604 -244.356 52.7845 PRESSAVG: 2918200 -45.6138 -82.0151 -21.9125 -82.0152 35.591 -12.8277 -21.9125 -12.8277 -11.5259 GPRESSAVG: 2918200 -46.2394 -81.9619 -18.9179 -80.9316 35.9804 -14.0848 -22.001 -15.1686 -11.2223 TIMING: 2918200 CPU: 8707.6, 0.00301829/step Wall: 8707.6, 0.00301829/step, 1.74541 hours remaining, 205.429688 MB of memory in use. ENERGY: 2918200 758.0709 2116.3664 1907.5486 111.0584 -206143.9316 17853.6778 0.0000 0.0000 34219.5004 -149177.7091 298.8474 -183397.2095 -149079.1456 300.3126 30.6335 60.7590 556819.7864 -7.1829 -7.1604 PRESSURE: 2918400 -17.374 -3.04786 184.79 -3.04773 15.9429 -103.794 184.789 -103.794 162.682 GPRESSURE: 2918400 16.0387 -11.4654 106 8.49478 62.5046 -68.2141 220.811 -37.894 183.8 PRESSAVG: 2918400 34.0227 -52.8023 9.12869 -52.8023 -3.11584 -24.2974 9.12874 -24.2974 23.7603 GPRESSAVG: 2918400 33.4739 -51.2886 7.0234 -52.1822 -3.35089 -23.5174 6.50124 -24.639 25.1226 TIMING: 2918400 CPU: 8708.2, 0.00300264/step Wall: 8708.2, 0.00300264/step, 1.73619 hours remaining, 205.429688 MB of memory in use. ENERGY: 2918400 739.3570 2099.3393 1945.3910 104.3825 -206115.8858 17921.9812 0.0000 0.0000 34277.9811 -149027.4538 299.3581 -183305.4349 -148930.0134 299.8659 53.7504 87.4476 556962.0849 18.2224 18.4152 PRESSURE: 2918600 21.1764 -23.7523 254.733 -23.7516 178.329 -53.8177 254.734 -53.8177 -135.499 GPRESSURE: 2918600 69.2365 -29.0442 242.269 18.7892 153.462 -17.1066 293.347 -29.7447 -60.8455 PRESSAVG: 2918600 -37.6911 -21.3652 3.7974 -21.365 11.3815 -21.4934 3.7975 -21.4933 1.00759 GPRESSAVG: 2918600 -37.3342 -22.3713 2.18329 -21.8273 12.0802 -22.0177 5.43793 -22.501 0.123073 TIMING: 2918600 CPU: 8708.81, 0.00303263/step Wall: 8708.81, 0.00303263/step, 1.75337 hours remaining, 205.429688 MB of memory in use. ENERGY: 2918600 716.4115 2091.0389 1957.5239 117.4969 -206145.9896 17735.3289 0.0000 0.0000 34465.8892 -149062.3004 300.9992 -183528.1896 -148965.9185 299.6959 21.3356 53.9511 557214.8668 -8.4340 -8.3770 PRESSURE: 2918800 257.004 -142.283 -24.1138 -142.283 134.808 3.946 -24.1146 3.9464 -33.2807 GPRESSURE: 2918800 274.763 -149.164 -27.0891 -54.9634 190.83 5.82362 -59.5452 -3.43987 4.59175 PRESSAVG: 2918800 31.8229 8.96196 32.8996 8.96191 30.9895 16.7733 32.8996 16.7733 -24.6589 GPRESSAVG: 2918800 30.9689 8.31403 36.3603 9.17092 31.0489 16.6544 29.977 16.9744 -23.788 TIMING: 2918800 CPU: 8709.41, 0.00301557/step Wall: 8709.41, 0.00301557/step, 1.74334 hours remaining, 205.429688 MB of memory in use. ENERGY: 2918800 743.2277 2080.8843 1965.5863 117.9277 -206036.9823 17809.9086 0.0000 0.0000 34282.9772 -149036.4706 299.4018 -183319.4478 -148942.4513 300.5369 119.5103 156.7283 555229.6203 12.7178 12.7433 PRESSURE: 2919000 -39.2843 -115.223 58.5633 -115.222 92.6087 21.7857 58.5629 21.7855 -12.4875 GPRESSURE: 2919000 2.57333 -111.921 -66.496 -88.3461 133.004 43.2409 42.0466 -12.9236 0.928319 PRESSAVG: 2919000 21.282 10.2373 44.4017 10.2373 23.77 -32.389 44.4016 -32.389 -96.0321 GPRESSAVG: 2919000 21.8296 11.0778 42.5984 10.1603 24.4795 -35.093 47.0067 -28.96 -97.078 TIMING: 2919000 CPU: 8710.02, 0.00301618/step Wall: 8710.02, 0.00301618/step, 1.74352 hours remaining, 205.429688 MB of memory in use. ENERGY: 2919000 738.5675 2061.1858 1938.8756 105.8729 -206270.2012 17802.0723 0.0000 0.0000 34620.6658 -149002.9612 302.3509 -183623.6270 -148903.5075 299.5898 13.6123 45.5018 555954.0234 -16.9934 -16.9230 PRESSURE: 2919200 86.3116 60.4448 -46.1734 60.4455 136.352 -3.33753 -46.1735 -3.33776 -145.642 GPRESSURE: 2919200 89.0113 101.889 81.1257 47.6051 194.135 -18.3608 -134.017 30.6675 -105.086 PRESSAVG: 2919200 -22.3583 21.5325 -3.47866 21.5326 34.0637 9.57413 -3.47866 9.57423 -21.122 GPRESSAVG: 2919200 -22.5913 20.6736 -3.74787 21.5999 34.2135 12.0302 -4.28176 6.99122 -21.1651 TIMING: 2919200 CPU: 8710.62, 0.00302386/step Wall: 8710.62, 0.00302386/step, 1.74779 hours remaining, 205.429688 MB of memory in use. ENERGY: 2919200 751.7918 1997.9330 1955.3561 101.5719 -206154.1893 17896.1965 0.0000 0.0000 34276.5591 -149174.7810 299.3457 -183451.3401 -149070.6960 300.2319 25.6739 59.3533 558626.8196 -3.1389 -3.1810 PRESSURE: 2919400 103.259 58.511 115.651 58.5112 207.911 31.4344 115.65 31.4333 4.49428 GPRESSURE: 2919400 172.572 54.3827 68.7179 -19.5469 220.487 15.7705 117.803 20.7222 19.4893 PRESSAVG: 2919400 55.1058 25.0303 2.50206 25.0303 -30.1292 36.6951 2.50205 36.695 -20.4236 GPRESSAVG: 2919400 54.3771 24.0354 3.88218 25.32 -31.0826 38.3928 3.81914 35.6885 -18.8816 TIMING: 2919400 CPU: 8711.23, 0.00302643/step Wall: 8711.23, 0.00302643/step, 1.74911 hours remaining, 205.429688 MB of memory in use. ENERGY: 2919400 727.8562 2068.8067 1949.3509 103.8531 -206353.1486 17948.7053 0.0000 0.0000 34409.9262 -149144.6501 300.5104 -183554.5764 -149047.5872 299.4505 105.2217 137.5163 557990.5207 1.5177 1.4709 PRESSURE: 2919600 142.66 -43.4599 30.1354 -43.4602 35.9464 88.1894 30.1333 88.1887 -167.67 GPRESSURE: 2919600 150.971 72.0043 135.58 -85.6897 55.6423 17.9581 -95.9209 133.033 -103.905 PRESSAVG: 2919600 49.1505 -41.7298 -20.9656 -41.7297 6.41729 15.9001 -20.9657 15.9001 3.34705 GPRESSAVG: 2919600 50.315 -39.3714 -21.9344 -42.6231 5.89808 14.2402 -23.1334 17.4752 3.10511 TIMING: 2919600 CPU: 8711.83, 0.00303101/step Wall: 8711.83, 0.00303101/step, 1.75159 hours remaining, 205.429688 MB of memory in use. ENERGY: 2919600 720.4616 2057.4466 1949.4514 112.3114 -206214.0659 17758.5720 0.0000 0.0000 34324.2589 -149291.5639 299.7623 -183615.8228 -149195.8364 299.8706 3.6452 34.2360 556891.1792 19.6383 19.7727 PRESSURE: 2919800 -277.244 -78.6098 27.6464 -78.6102 -175.626 53.3434 27.6451 53.3439 29.4915 GPRESSURE: 2919800 -280.61 -22.5655 6.10435 -137.56 -122.041 -48.6467 1.94045 153.029 74.6922 PRESSAVG: 2919800 75.7754 -13.2183 -3.36693 -13.2182 -30.3353 -18.4541 -3.3669 -18.4541 31.6052 GPRESSAVG: 2919800 74.8285 -14.4281 -2.1248 -11.7893 -28.9083 -19.2303 -2.59965 -18.8258 30.9024 TIMING: 2919800 CPU: 8712.44, 0.00302786/step Wall: 8712.44, 0.00302786/step, 1.7496 hours remaining, 205.429688 MB of memory in use. ENERGY: 2919800 733.0045 2063.8832 1918.1545 105.8552 -206280.6610 17605.5641 0.0000 0.0000 34431.1488 -149423.0506 300.6958 -183854.1994 -149321.1754 299.1589 -141.1260 -109.3195 557575.6856 25.6818 25.6075 PRESSURE: 2920000 -76.5579 -83.666 -39.6101 -83.6673 0.259128 47.0037 -39.6094 47.0035 38.9522 GPRESSURE: 2920000 -15.1642 -52.4122 -173.068 -55.7977 29.7398 -1.34346 -33.1493 51.3447 45.7961 PRESSAVG: 2920000 -26.5744 -69.9753 -5.50567 -69.9753 -44.6444 -21.5826 -5.50571 -21.5825 56.4002 GPRESSAVG: 2920000 -24.9161 -71.7178 -6.89879 -70.6934 -46.0233 -19.56 -4.07805 -22.5116 56.6372 TIMING: 2920000 CPU: 8713.05, 0.0030532/step Wall: 8713.05, 0.0030532/step, 1.76407 hours remaining, 205.429688 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: 2920000 757.2325 2063.0330 1935.2573 108.5502 -206378.3007 17652.7596 0.0000 0.0000 34284.5380 -149576.9302 299.4154 -183861.4682 -149484.4429 297.9687 -12.4488 20.1239 557382.0614 -4.9395 -4.7674 PRESSURE: 2920200 -73.4445 66.1528 -273.285 66.1503 163.339 -43.9583 -273.285 -43.959 -0.226471 GPRESSURE: 2920200 -6.03166 35.0552 -272.366 118.164 209.693 -29.8635 -239.741 -73.6949 -15.5388 PRESSAVG: 2920200 50.4303 -40.214 -11.6051 -40.214 -64.8398 -41.0616 -11.605 -41.0616 5.97019 GPRESSAVG: 2920200 50.8409 -37.7214 -10.6986 -41.3582 -64.7148 -41.4272 -12.8559 -42.4022 5.3622 TIMING: 2920200 CPU: 8713.66, 0.00305376/step Wall: 8713.66, 0.00305376/step, 1.76422 hours remaining, 205.429688 MB of memory in use. ENERGY: 2920200 721.0948 2048.6079 1939.1432 109.1833 -206663.6976 17917.2774 0.0000 0.0000 34247.8019 -149680.5891 299.0946 -183928.3911 -149579.3953 297.8801 29.8895 62.7077 557687.8346 -2.8131 -2.8373 LDB: ============= START OF LOAD BALANCING ============== 8717.09 LDB: ============== END OF LOAD BALANCING =============== 8717.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8717.09 LDB: ============= START OF LOAD BALANCING ============== 8717.4 LDB: Largest compute 4819 load 0.029531 is 25.0% of average load 0.117979 LDB: Average compute 0.001731 is 1.5% of average load 0.117979 LDB: TIME 8717.41 LOAD: AVG 0.117979 MAX 0.212291 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.734 MB LDB: TIME 8717.41 LOAD: AVG 0.117979 MAX 0.212291 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.938 MB LDB: TIME 8717.41 LOAD: AVG 0.117979 MAX 0.212291 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.938 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8717.41 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8717.41 PRESSURE: 2920400 117.014 -144.096 21.8965 -144.095 117.061 -86.9502 21.8952 -86.9506 -14.325 GPRESSURE: 2920400 185.516 -44.4829 33.2848 -224.264 134.153 -48.5601 27.5831 -106.473 9.03673 PRESSAVG: 2920400 28.5179 -12.8072 17.7124 -12.8073 -23.5802 -43.5853 17.7124 -43.5853 -6.20721 GPRESSAVG: 2920400 27.1322 -13.9074 15.4212 -13.1257 -22.1113 -45.3711 20.1509 -42.1124 -6.48118 TIMING: 2920400 CPU: 8714.28, 0.00310899/step Wall: 8714.28, 0.00310899/step, 1.79596 hours remaining, 206.453125 MB of memory in use. ENERGY: 2920400 773.3808 2062.8193 1937.1021 103.6280 -206681.6966 17990.6492 0.0000 0.0000 34227.8551 -149586.2620 298.9204 -183814.1171 -149498.7458 298.8799 73.2501 109.5684 555949.7756 -0.4232 -0.4867 PRESSURE: 2920600 -86.25 -86.3635 60.2722 -86.3634 -248.82 -199.546 60.2729 -199.547 -50.5803 GPRESSURE: 2920600 -67.2947 -147.998 44.4439 -63.3536 -229.925 -147.68 93.337 -192.857 13.2531 PRESSAVG: 2920600 29.3466 -32.1598 1.69443 -32.1599 -30.6091 -25.0163 1.69447 -25.0163 10.512 GPRESSAVG: 2920600 28.6791 -32.3531 0.510442 -29.98 -30.82 -24.5853 0.240593 -24.6714 10.748 TIMING: 2920600 CPU: 8714.89, 0.00304097/step Wall: 8714.89, 0.00304097/step, 1.7565 hours remaining, 206.453125 MB of memory in use. ENERGY: 2920600 731.2745 2051.7488 1957.1413 109.7295 -206491.5307 17779.5440 0.0000 0.0000 34414.4305 -149447.6621 300.5498 -183862.0926 -149349.3169 298.5708 -128.5502 -94.6555 557924.4593 3.0831 2.8690 PRESSURE: 2920800 -138.642 40.2979 30.5091 40.2982 -97.6871 -247.91 30.5084 -247.911 -63.2357 GPRESSURE: 2920800 -103.098 56.7651 -37.0262 23.3167 -64.3432 -157.821 102.417 -221.475 -33.445 PRESSAVG: 2920800 19.8496 -5.85566 -16.6763 -5.85554 -26.9846 -68.2755 -16.6764 -68.2756 50.7636 GPRESSAVG: 2920800 20.9881 -4.82884 -15.6501 -6.3767 -28.1022 -66.3516 -15.5556 -68.4153 50.829 TIMING: 2920800 CPU: 8715.5, 0.00305243/step Wall: 8715.5, 0.00305243/step, 1.76295 hours remaining, 206.453125 MB of memory in use. ENERGY: 2920800 762.6236 2103.4432 1913.4662 106.0401 -206056.4330 17680.7352 0.0000 0.0000 34042.1959 -149447.9289 297.2990 -183490.1247 -149351.4679 299.1324 -99.8548 -66.9621 558170.7208 14.5429 14.5716 PRESSURE: 2921000 -109.491 -55.1975 157.81 -55.1974 -47.6013 107.697 157.81 107.697 -187.323 GPRESSURE: 2921000 -108.51 -22.4904 219.491 -71.6244 15.6772 22.1146 212.862 175.235 -151.635 PRESSAVG: 2921000 31.6713 12.944 55.9399 12.9439 2.31588 42.907 55.9399 42.907 -37.893 GPRESSAVG: 2921000 32.2101 12.2014 57.502 13.3432 1.82246 42.2212 54.8542 44.0188 -37.5991 TIMING: 2921000 CPU: 8716.11, 0.00304551/step Wall: 8716.11, 0.00304551/step, 1.75878 hours remaining, 206.453125 MB of memory in use. ENERGY: 2921000 770.4948 2063.1048 1929.1660 102.6261 -206497.6937 17878.4598 0.0000 0.0000 34331.6476 -149422.1946 299.8268 -183753.8423 -149330.1909 298.4333 -114.8052 -81.4893 559197.9036 -1.3019 -1.1889 PRESSURE: 2921200 -33.6993 25.2322 -33.2984 25.2332 171.729 89.6809 -33.2978 89.6811 134.746 GPRESSURE: 2921200 -63.0932 29.8387 -14.5243 -65.4207 198.989 21.7347 -82.3603 113.621 237.992 PRESSAVG: 2921200 57.9146 -23.9468 -34.6862 -23.9467 34.6663 26.0136 -34.6862 26.0136 -68.3975 GPRESSAVG: 2921200 56.4257 -24.6544 -36.7072 -24.907 35.1636 26.7347 -35.897 23.2352 -67.5063 TIMING: 2921200 CPU: 8716.72, 0.00302411/step Wall: 8716.72, 0.00302411/step, 1.74625 hours remaining, 206.453125 MB of memory in use. ENERGY: 2921200 745.5875 2060.7075 1931.1854 113.5526 -206797.8057 18222.2061 0.0000 0.0000 34255.8372 -149468.7295 299.1647 -183724.5667 -149376.9666 298.8646 90.9251 124.6291 558528.5395 8.0612 8.0276 PRESSURE: 2921400 -8.54759 -17.2001 -199.263 -17.2008 -11.1063 185.37 -199.264 185.371 144.581 GPRESSURE: 2921400 56.2906 34.1009 -235.696 -46.3436 39.9057 113.084 -175.554 154.299 133.184 PRESSAVG: 2921400 33.6134 -12.6901 -9.55599 -12.6902 -42.6683 9.63577 -9.55598 9.63581 -6.61311 GPRESSAVG: 2921400 33.4285 -11.1088 -8.69919 -10.1377 -42.8335 10.2361 -9.11404 10.8467 -6.65449 TIMING: 2921400 CPU: 8717.32, 0.00304786/step Wall: 8717.32, 0.00304786/step, 1.7598 hours remaining, 206.453125 MB of memory in use. ENERGY: 2921400 734.3278 2090.0296 1939.8912 113.4977 -206526.4252 18020.3814 0.0000 0.0000 34075.4401 -149552.8574 297.5893 -183628.2975 -149452.2646 298.3181 41.6423 76.4600 559126.0243 -5.2227 -5.3532 PRESSURE: 2921600 -160.984 83.7262 -67.2803 83.7267 25.3532 73.0362 -67.2804 73.0364 -197.583 GPRESSURE: 2921600 -73.7139 106.491 -116.527 68.7064 31.2364 171.957 7.41647 -49.0754 -195.223 PRESSAVG: 2921600 -46.2504 -15.5507 14.9748 -15.5507 30.9245 71.9671 14.9748 71.967 34.0479 GPRESSAVG: 2921600 -46.0329 -16.1169 16.642 -16.1466 31.704 71.3879 14.6771 71.418 32.8434 TIMING: 2921600 CPU: 8717.93, 0.00304207/step Wall: 8717.93, 0.00304207/step, 1.75629 hours remaining, 206.453125 MB of memory in use. ENERGY: 2921600 789.3898 2026.5174 1944.9247 120.4535 -205991.5691 17751.0655 0.0000 0.0000 33757.5134 -149601.7047 294.8128 -183359.2181 -149498.3451 298.0798 -111.0713 -79.2334 559142.0055 6.2407 6.1715 PRESSURE: 2921800 -116.943 -107.368 72.6324 -107.367 -43.6224 -205.264 72.6324 -205.264 -301.131 GPRESSURE: 2921800 -73.2718 -108.212 94.0901 -74.8607 -9.0243 -222.148 77.0063 -145.908 -285.469 PRESSAVG: 2921800 84.1177 2.69929 -14.7076 2.6992 -2.35348 16.2956 -14.7077 16.2956 -73.3273 GPRESSAVG: 2921800 84.5793 3.87193 -17.763 1.13347 -2.21304 15.2746 -14.7228 17.7169 -74.5923 TIMING: 2921800 CPU: 8718.54, 0.00302091/step Wall: 8718.54, 0.00302091/step, 1.74391 hours remaining, 206.453125 MB of memory in use. ENERGY: 2921800 729.7033 2094.7389 1911.1794 113.1056 -206257.5914 17675.1122 0.0000 0.0000 34102.9375 -149630.8145 297.8294 -183733.7520 -149533.4802 298.3291 -153.8990 -122.5883 557636.4805 2.8123 2.5913 PRESSURE: 2922000 -108.891 -8.53331 53.4111 -8.53497 -21.9492 -161.819 53.4119 -161.819 125.47 GPRESSURE: 2922000 -84.0742 45.5919 45.3315 -158.496 46.0231 -117.668 6.91177 -172.095 132.898 PRESSAVG: 2922000 -8.81338 23.236 25.5932 23.236 42.4762 -25.7281 25.5935 -25.7281 -29.0875 GPRESSAVG: 2922000 -9.91639 23.5044 26.5576 22.8861 42.3345 -25.8216 25.6739 -24.4178 -28.1563 TIMING: 2922000 CPU: 8719.14, 0.00302076/step Wall: 8719.14, 0.00302076/step, 1.74365 hours remaining, 206.453125 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: 2922000 733.2023 2054.6148 1949.0484 115.8257 -206373.7498 17877.2902 0.0000 0.0000 34095.7221 -149548.0462 297.7664 -183643.7683 -149446.5771 298.0374 -1.7899 31.6158 557545.4788 1.5251 1.4206 PRESSURE: 2922200 -65.5489 248.045 78.6627 248.044 -91.026 147.676 78.6632 147.676 19.8637 GPRESSURE: 2922200 -27.4465 200.423 117.561 172.432 -84.8287 169.778 73.6405 117.46 62.8947 PRESSAVG: 2922200 -6.18795 -34.3473 8.69245 -34.3472 -5.60865 -41.9953 8.69249 -41.9953 -3.30382 GPRESSAVG: 2922200 -4.84301 -35.2921 9.78375 -33.6743 -6.50521 -39.98 9.10566 -45.3486 -3.86891 TIMING: 2922200 CPU: 8719.75, 0.00302079/step Wall: 8719.75, 0.00302079/step, 1.7435 hours remaining, 206.453125 MB of memory in use. ENERGY: 2922200 760.4019 2048.6662 1972.5380 117.9062 -206369.2883 17832.7688 0.0000 0.0000 34139.4637 -149497.5436 298.1484 -183637.0073 -149403.1950 298.3502 -45.5704 -16.4602 557575.0777 -5.0335 -5.0724 PRESSURE: 2922400 111.939 205.826 -3.19841 205.827 81.4695 -1.54956 -3.19862 -1.54895 -121.085 GPRESSURE: 2922400 148.247 196.524 52.3798 113.595 153.316 51.1865 -6.64068 -31.7275 -114.139 PRESSAVG: 2922400 -28.3111 8.21498 7.48392 8.21485 20.2433 47.8004 7.48387 47.8004 -7.84459 GPRESSAVG: 2922400 -28.6991 7.58649 7.67026 8.29745 20.415 47.2186 6.97412 47.9471 -8.00619 TIMING: 2922400 CPU: 8720.35, 0.00302021/step Wall: 8720.35, 0.00302021/step, 1.743 hours remaining, 206.453125 MB of memory in use. ENERGY: 2922400 723.9216 2043.7613 1960.9098 104.4446 -206456.1665 17909.8350 0.0000 0.0000 34248.1435 -149465.1508 299.0976 -183713.2943 -149367.9117 298.5707 24.1077 62.4745 556592.6540 -5.3041 -5.4301 PRESSURE: 2922600 247.41 -44.7833 154.59 -44.7841 188.408 -42.1985 154.589 -42.1981 -63.9085 GPRESSURE: 2922600 239.296 -39.9526 127.366 -44.6984 214.858 -23.8578 137.766 -64.1568 13.5785 PRESSAVG: 2922600 -25.2077 -13.9272 -27.7857 -13.9272 65.8563 65.6728 -27.7856 65.6728 -35.8045 GPRESSAVG: 2922600 -26.6071 -11.3168 -28.0277 -15.8993 67.1104 63.7167 -26.2303 67.6502 -35.6678 TIMING: 2922600 CPU: 8720.95, 0.00302351/step Wall: 8720.95, 0.00302351/step, 1.74474 hours remaining, 206.453125 MB of memory in use. ENERGY: 2922600 711.9959 2061.8575 1949.4823 111.6195 -206132.9912 17903.7418 0.0000 0.0000 34157.4982 -149236.7960 298.3059 -183394.2943 -149143.4346 298.3949 123.9698 155.9105 557922.8363 1.6147 1.6118 PRESSURE: 2922800 29.9404 -51.6608 -63.3938 -51.6615 -128.301 -32.0423 -63.3944 -32.0419 -195.497 GPRESSURE: 2922800 98.8852 14.4326 -100.011 -99.706 -90.5425 40.4826 -32.3971 -79.2685 -201.982 PRESSAVG: 2922800 -16.802 -36.7402 -4.64863 -36.7402 6.2911 -4.31897 -4.64863 -4.31903 -17.7077 GPRESSAVG: 2922800 -15.6391 -38.1057 -3.31322 -34.228 5.9401 -3.40305 -4.21214 -4.5165 -18.0916 TIMING: 2922800 CPU: 8721.56, 0.00302095/step Wall: 8721.56, 0.00302095/step, 1.74309 hours remaining, 206.453125 MB of memory in use. ENERGY: 2922800 751.5061 2055.5271 1955.7200 118.2011 -206280.2947 17677.1936 0.0000 0.0000 34389.9589 -149332.1880 300.3361 -183722.1469 -149235.6850 299.3829 -97.9526 -64.5464 557642.8654 -9.4062 -9.2635 PRESSURE: 2923000 -135.005 14.1419 89.8229 14.1428 -178.841 105.526 89.822 105.526 -2.04544 GPRESSURE: 2923000 -79.9852 -6.72027 64.7916 -10.3409 -154.8 94.769 107.32 61.5105 17.2636 PRESSAVG: 2923000 -28.9435 7.445 23.0263 7.44491 -6.50763 54.4143 23.0263 54.4143 28.6419 GPRESSAVG: 2923000 -28.5923 7.07687 23.58 7.11748 -6.53753 55.0789 21.9963 53.759 29.1476 TIMING: 2923000 CPU: 8722.16, 0.00303048/step Wall: 8722.16, 0.00303048/step, 1.74842 hours remaining, 206.453125 MB of memory in use. ENERGY: 2923000 756.9501 2083.8814 1953.7082 113.0661 -206467.6859 17683.3629 0.0000 0.0000 34388.6780 -149488.0392 300.3249 -183876.7173 -149384.7609 299.1402 -105.2972 -72.5072 557496.5644 -2.2698 -1.9941 PRESSURE: 2923200 -163.885 -6.06623 199.617 -6.06554 -167.829 -30.8846 199.617 -30.883 46.6145 GPRESSURE: 2923200 -134.012 50.2015 225.813 55.8604 -97.811 102.38 218.043 -171.616 54.5991 PRESSAVG: 2923200 -31.9225 42.0905 47.1902 42.0905 -35.7717 48.3492 47.1901 48.3493 41.8188 GPRESSAVG: 2923200 -31.547 41.9443 44.7712 43.0438 -37.1733 47.0006 47.2358 49.3889 43.0532 TIMING: 2923200 CPU: 8722.77, 0.00302107/step Wall: 8722.77, 0.00302107/step, 1.74282 hours remaining, 206.453125 MB of memory in use. ENERGY: 2923200 737.0104 2111.7887 1952.9348 112.2405 -206067.6576 17600.4991 0.0000 0.0000 34130.0883 -149423.0958 298.0665 -183553.1841 -149334.4715 298.8673 -95.0331 -59.0745 557563.5064 -8.6251 -8.5557 PRESSURE: 2923400 380.824 3.87416 75.3681 3.87399 15.9331 11.5255 75.3669 11.5268 18.8799 GPRESSURE: 2923400 399.304 102.972 47.9442 -134.364 97.8076 23.2012 120.487 10.3319 32.1324 PRESSAVG: 2923400 69.1164 -16.1467 35.1972 -16.1466 -52.818 19.4589 35.1973 19.459 -10.9416 GPRESSAVG: 2923400 68.2804 -14.3816 36.1462 -19.126 -50.8784 18.4 36.4481 20.3212 -11.8071 TIMING: 2923400 CPU: 8723.37, 0.00303032/step Wall: 8723.37, 0.00303032/step, 1.74799 hours remaining, 206.453125 MB of memory in use. ENERGY: 2923400 719.9145 2068.3563 1951.2490 123.6792 -206619.4646 18081.9105 0.0000 0.0000 34013.4075 -149660.9476 297.0475 -183674.3551 -149563.6334 297.6869 138.5456 176.4146 556182.8312 1.7856 1.8650 PRESSURE: 2923600 -148.007 68.052 6.42318 68.0516 -159.509 19.4514 6.42269 19.4521 -51.4828 GPRESSURE: 2923600 -126.845 108.733 82.3296 8.64658 -150.475 101.822 -29.4962 -16.242 16.1131 PRESSAVG: 2923600 -44.5602 37.1435 20.8291 37.1434 -26.2152 -11.0438 20.8291 -11.0439 85.1215 GPRESSAVG: 2923600 -43.9832 37.1527 20.3928 37.5088 -27.5611 -10.0293 20.0359 -12.7991 85.6272 TIMING: 2923600 CPU: 8723.98, 0.00302165/step Wall: 8723.98, 0.00302165/step, 1.74282 hours remaining, 206.453125 MB of memory in use. ENERGY: 2923600 749.8087 2108.5273 1906.0783 107.8835 -206496.6640 17739.7133 0.0000 0.0000 34358.4797 -149526.1730 300.0611 -183884.6527 -149427.6820 297.5244 -119.6662 -87.0690 556811.1345 4.7820 4.6943 PRESSURE: 2923800 39.5174 -129.976 50.0954 -129.974 -105.362 189.343 50.0955 189.344 -105.581 GPRESSURE: 2923800 26.9416 -172.734 77.8777 -76.3 -41.5174 215.271 10.2362 238.342 -73.918 PRESSAVG: 2923800 4.6471 20.5074 -51.0226 20.5073 -10.7715 4.47681 -51.0227 4.47682 8.08732 GPRESSAVG: 2923800 4.10157 20.7983 -50.0813 20.3491 -9.28523 5.37674 -52.2302 5.68624 7.26375 TIMING: 2923800 CPU: 8724.59, 0.00304351/step Wall: 8724.59, 0.00304351/step, 1.75526 hours remaining, 206.453125 MB of memory in use. ENERGY: 2923800 733.3376 2052.5557 1953.7428 115.0919 -206478.1300 17835.2137 0.0000 0.0000 34284.0495 -149504.1388 299.4111 -183788.1883 -149412.4791 298.2850 -57.1420 -29.4980 557789.6621 0.6543 0.6934 PRESSURE: 2924000 21.4137 -138.784 62.6156 -138.784 -20.5752 -10.3034 62.6155 -10.3018 -111.511 GPRESSURE: 2924000 33.9324 -121.947 95.9719 -56.6363 -27.8353 -132.895 15.4591 16.9548 -22.3097 PRESSAVG: 2924000 -1.98934 36.6117 40.0283 36.6117 -1.41505 -66.3784 40.0284 -66.3785 32.0958 GPRESSAVG: 2924000 -2.26769 37.1953 41.5898 35.7817 -2.76966 -67.8569 40.6124 -67.3318 33.0155 TIMING: 2924000 CPU: 8725.2, 0.00306022/step Wall: 8725.2, 0.00306022/step, 1.76473 hours remaining, 206.453125 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: 2924000 737.2348 2067.5006 1948.1957 108.2959 -206452.7994 17760.4536 0.0000 0.0000 34270.1416 -149560.9774 299.2897 -183831.1189 -149467.0833 298.5149 -36.8909 -5.4042 558410.9792 9.5638 9.3261 PRESSURE: 2924200 -121.743 -0.11021 -33.1436 -0.108104 -42.6265 -14.2452 -33.1437 -14.2467 -117.858 GPRESSURE: 2924200 -109.515 103.536 -8.82562 -16.5969 18.1091 9.40934 -31.9366 -51.643 -84.6275 PRESSAVG: 2924200 -18.9646 17.5276 45.1451 17.5275 3.64773 -0.799787 45.1451 -0.79965 -3.00537 GPRESSAVG: 2924200 -18.3298 17.1703 44.869 19.0725 4.13714 1.28804 42.9823 -0.777121 -4.3081 TIMING: 2924200 CPU: 8725.81, 0.00303873/step Wall: 8725.81, 0.00303873/step, 1.75216 hours remaining, 206.453125 MB of memory in use. ENERGY: 2924200 721.7747 2071.7575 1957.3156 116.8806 -206317.3519 17905.7730 0.0000 0.0000 34031.0867 -149512.7637 297.2019 -183543.8505 -149415.3133 298.5400 -94.0761 -58.6777 559558.2862 -6.1074 -6.1669 LDB: ============= START OF LOAD BALANCING ============== 8729.24 LDB: ============== END OF LOAD BALANCING =============== 8729.24 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8729.24 LDB: ============= START OF LOAD BALANCING ============== 8729.54 LDB: Largest compute 4819 load 0.030240 is 25.6% of average load 0.118034 LDB: Average compute 0.001731 is 1.5% of average load 0.118034 LDB: TIME 8729.55 LOAD: AVG 0.118034 MAX 0.210703 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 8729.55 LOAD: AVG 0.118034 MAX 0.210703 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.293 MB LDB: TIME 8729.55 LOAD: AVG 0.118034 MAX 0.210703 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8729.55 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8729.55 PRESSURE: 2924400 -353.276 -17.6247 -47.4014 -17.6245 -58.1624 156.344 -47.4011 156.343 -5.36262 GPRESSURE: 2924400 -299.329 -8.45078 -167.393 80.8756 -80.7109 155.071 -20.2793 172.29 47.5278 PRESSAVG: 2924400 35.7905 -3.1633 -11.6334 -3.16343 -24.101 30.8235 -11.6335 30.8235 5.2578 GPRESSAVG: 2924400 34.8128 -1.43308 -12.1157 -3.35772 -24.8145 31.5913 -10.5339 29.8273 6.68877 TIMING: 2924400 CPU: 8726.42, 0.00308651/step Wall: 8726.42, 0.00308651/step, 1.77955 hours remaining, 208.054688 MB of memory in use. ENERGY: 2924400 746.2647 2119.3269 1968.6632 112.3518 -206309.0391 17719.1787 0.0000 0.0000 34080.5582 -149562.6956 297.6340 -183643.2538 -149469.0173 298.4173 -138.9336 -110.8374 557749.0043 5.6491 5.5624 PRESSURE: 2924600 -412.97 13.0066 -29.8488 13.0057 -191.109 -159.879 -29.8494 -159.879 -359.933 GPRESSURE: 2924600 -351.683 45.2066 68.6022 -100.383 -183.944 -124.087 15.2735 -118.965 -335.77 PRESSAVG: 2924600 -41.5194 -32.353 -30.0207 -32.353 -12.8062 37.8699 -30.0207 37.8699 63.8827 GPRESSAVG: 2924600 -40.7949 -35.1036 -29.9682 -32.2298 -12.274 35.9331 -28.1176 38.8134 62.4738 TIMING: 2924600 CPU: 8727.03, 0.0030265/step Wall: 8727.03, 0.0030265/step, 1.74478 hours remaining, 208.125000 MB of memory in use. ENERGY: 2924600 743.0292 2172.2541 1947.4149 108.9342 -206152.8696 17320.7211 0.0000 0.0000 34304.4409 -149556.0751 299.5892 -183860.5160 -149462.0085 297.9200 -321.3372 -290.4657 557778.4384 3.1857 3.1350 PRESSURE: 2924800 165.556 116.669 -94.4059 116.67 96.5504 -9.56013 -94.4054 -9.55902 13.4327 GPRESSURE: 2924800 227.988 109.005 -93.8363 163.605 86.4307 27.0746 -199.558 -30.9959 49.2835 PRESSAVG: 2924800 -54.2719 -7.82355 -63.7973 -7.82356 13.841 3.88148 -63.7973 3.88143 10.8533 GPRESSAVG: 2924800 -53.8577 -8.06211 -66.0153 -7.04932 13.4811 3.66495 -63.6733 4.76897 10.6271 TIMING: 2924800 CPU: 8727.64, 0.00302713/step Wall: 8727.64, 0.00302713/step, 1.74497 hours remaining, 208.125000 MB of memory in use. ENERGY: 2924800 733.0253 2052.9893 1947.8001 110.2799 -206338.7764 17872.0228 0.0000 0.0000 34077.0995 -149545.5595 297.6038 -183622.6590 -149449.0397 298.1124 91.8464 121.2342 557240.3079 -9.8592 -9.9165 PRESSURE: 2925000 96.2831 32.6569 -94.0268 32.6563 227.943 -108.415 -94.028 -108.413 -52.483 GPRESSURE: 2925000 130.74 -29.1581 -124.739 58.2551 277.082 -56.9624 -7.7738 -43.8494 -28.5355 PRESSAVG: 2925000 4.35335 -54.2247 -29.175 -54.2247 -12.1477 8.59055 -29.1751 8.59063 35.4733 GPRESSAVG: 2925000 4.28417 -53.4801 -25.8965 -54.6006 -12.3298 8.77564 -30.7274 7.66754 35.9309 TIMING: 2925000 CPU: 8728.24, 0.0030047/step Wall: 8728.24, 0.0030047/step, 1.73187 hours remaining, 208.125000 MB of memory in use. ENERGY: 2925000 766.8130 2108.7865 1935.5593 115.3094 -206265.1744 17821.7844 0.0000 0.0000 34125.3996 -149391.5221 298.0256 -183516.9217 -149304.3722 298.1703 90.5810 126.4288 557462.8575 9.2263 9.2951 PRESSURE: 2925200 -391.182 127.141 -129.518 127.142 -73.7866 -44.3101 -129.517 -44.3113 -0.668644 GPRESSURE: 2925200 -364.435 74.3329 -134.418 146.446 3.54269 -89.1275 -70.1567 -96.4716 1.73951 PRESSAVG: 2925200 -17.7707 0.0589095 28.2711 0.0589972 19 -16.3671 28.2711 -16.3671 19.1178 GPRESSAVG: 2925200 -19.0147 0.0164354 27.554 -0.289236 20.1841 -14.6113 27.745 -16.6167 18.962 TIMING: 2925200 CPU: 8728.84, 0.00302477/step Wall: 8728.84, 0.00302477/step, 1.74327 hours remaining, 208.125000 MB of memory in use. ENERGY: 2925200 766.8901 2099.3754 1939.2599 119.3591 -206055.4881 17591.9724 0.0000 0.0000 34184.2646 -149354.3666 298.5397 -183538.6312 -149260.3958 297.8220 -155.2123 -119.7175 556958.4867 6.7824 6.7105 PRESSURE: 2925400 -194.328 52.1012 65.9247 52.1009 -111.768 -72.7844 65.9251 -72.7842 -34.302 GPRESSURE: 2925400 -182.062 16.0827 -11.5341 153.997 -85.121 -87.0798 54.691 -4.15584 33.8343 PRESSAVG: 2925400 -44.0205 39.3139 3.05693 39.314 42.7181 -19.8797 3.05695 -19.8797 -15.9602 GPRESSAVG: 2925400 -41.865 38.4603 2.74652 39.0993 40.6884 -22.0456 3.77154 -18.649 -16.4528 TIMING: 2925400 CPU: 8729.45, 0.00301983/step Wall: 8729.45, 0.00301983/step, 1.74026 hours remaining, 208.125000 MB of memory in use. ENERGY: 2925400 746.7199 2110.0794 1937.5696 105.6713 -206260.9260 17651.1515 0.0000 0.0000 34375.7189 -149334.0153 300.2117 -183709.7343 -149235.7358 298.4764 -113.4661 -77.7831 557900.8553 -5.7542 -5.8765 PRESSURE: 2925600 -210.383 22.4613 -61.4757 22.4606 -184.15 -119.904 -61.4757 -119.906 -190.217 GPRESSURE: 2925600 -153.142 -32.1691 10.4369 77.7654 -112.516 -137.328 -60.5126 -42.7785 -232.429 PRESSAVG: 2925600 22.0334 5.92165 13.907 5.92167 42.4328 -35.9492 13.907 -35.9491 -13.8156 GPRESSAVG: 2925600 21.4217 6.96342 13.7082 5.55778 42.5146 -36.0429 14.9961 -35.7369 -13.2908 TIMING: 2925600 CPU: 8730.05, 0.00300967/step Wall: 8730.05, 0.00300967/step, 1.73424 hours remaining, 208.125000 MB of memory in use. ENERGY: 2925600 749.7458 2116.3307 1976.7413 127.6390 -205934.7897 17361.3742 0.0000 0.0000 34329.6795 -149273.2792 299.8096 -183602.9586 -149171.9456 299.1127 -194.9167 -166.0293 558314.0560 16.8835 16.8818 PRESSURE: 2925800 64.5036 -72.2689 93.4933 -72.2677 -129.249 18.1821 93.4927 18.1829 -32.3152 GPRESSURE: 2925800 67.4879 2.6423 153.382 -6.29018 -97.9068 2.34254 45.6927 -6.61368 30.017 PRESSAVG: 2925800 55.6367 -16.0166 -28.5253 -16.0164 -2.08032 -66.1802 -28.5252 -66.1801 -62.9657 GPRESSAVG: 2925800 55.2349 -15.4394 -31.8048 -16.0093 -1.04527 -65.1291 -27.6073 -67.3745 -63.4612 TIMING: 2925800 CPU: 8730.66, 0.00304739/step Wall: 8730.66, 0.00304739/step, 1.7558 hours remaining, 208.125000 MB of memory in use. ENERGY: 2925800 712.4669 2150.8235 1953.8224 114.5460 -206005.1684 17598.3483 0.0000 0.0000 34159.9898 -149315.1714 298.3277 -183475.1612 -149214.5187 299.2543 -32.3535 -0.1340 556762.0210 -3.1365 -3.0905 PRESSURE: 2926000 -163 209.08 -51.0233 209.079 106.978 -97.3815 -51.0241 -97.3819 -38.3356 GPRESSURE: 2926000 -147.372 187.109 -36.4627 261.73 155.258 -148.424 -82.4688 -53.7334 -6.0759 PRESSAVG: 2926000 41.697 16.6547 57.2705 16.6547 -52.5294 -21.1808 57.2705 -21.1807 8.52698 GPRESSAVG: 2926000 42.2834 16.4558 59.3025 15.806 -52.5365 -22.0228 57.6217 -20.1693 7.74518 TIMING: 2926000 CPU: 8731.27, 0.00304547/step Wall: 8731.27, 0.00304547/step, 1.75453 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: 2926000 757.6835 2133.9219 1950.5161 128.6796 -206244.9271 17836.6331 0.0000 0.0000 33834.2808 -149603.2121 295.4832 -183437.4929 -149502.9963 298.8625 -31.4528 0.6034 556266.3743 -0.7685 -0.8360 PRESSURE: 2926200 143.505 -17.9632 -225.159 -17.9625 120.25 -133.243 -225.159 -133.244 205.054 GPRESSURE: 2926200 178.867 46.4922 -169.523 -21.9312 169.431 -96.1745 -193.413 -194.189 222.765 PRESSAVG: 2926200 46.7519 -11.1545 -7.76333 -11.1546 -17.9323 -23.9537 -7.7634 -23.9537 -17.5943 GPRESSAVG: 2926200 46.4636 -13.3174 -6.05907 -8.6951 -17.6733 -23.1022 -9.08716 -24.739 -17.4787 TIMING: 2926200 CPU: 8731.87, 0.00304421/step Wall: 8731.87, 0.00304421/step, 1.75363 hours remaining, 208.125000 MB of memory in use. ENERGY: 2926200 750.8697 2028.2657 1951.8425 111.7500 -206563.8617 18083.7707 0.0000 0.0000 34178.7349 -149458.6283 298.4914 -183637.3632 -149359.1027 298.5600 156.2698 190.3541 555041.5733 3.7418 3.7705 PRESSURE: 2926400 356.574 -35.8994 -23.6067 -35.8979 172.95 112.996 -23.6068 112.996 80.7571 GPRESSURE: 2926400 367.724 -27.7915 22.541 -38.7505 159.997 46.465 20.6552 119.847 187.784 PRESSAVG: 2926400 62.8176 15.1961 -65.6965 15.1961 54.2545 32.0665 -65.6964 32.0664 -114.497 GPRESSAVG: 2926400 63.6955 16.0549 -66.6235 13.5395 54.0965 34.0549 -65.2194 30.6618 -114.818 TIMING: 2926400 CPU: 8732.48, 0.0030441/step Wall: 8732.48, 0.0030441/step, 1.7534 hours remaining, 208.125000 MB of memory in use. ENERGY: 2926400 719.2576 2101.9257 1931.7452 109.4887 -206697.7623 18245.8709 0.0000 0.0000 34174.2721 -149415.2019 298.4524 -183589.4741 -149318.3549 298.0589 203.4271 238.5017 555933.9099 0.8585 0.9913 PRESSURE: 2926600 318.729 37.4171 -29.8638 37.4183 260.187 46.7323 -29.8644 46.7328 173.767 GPRESSURE: 2926600 297.685 36.8374 -83.8214 -22.0403 245.022 83.3613 -67.7616 32.5468 301.772 PRESSAVG: 2926600 -23.9568 -27.7567 -6.7145 -27.7567 60.3727 4.68849 -6.71451 4.68845 -60.9712 GPRESSAVG: 2926600 -24.9991 -26.5185 -6.50496 -28.7484 60.5021 2.08392 -8.12992 7.16469 -60.3552 TIMING: 2926600 CPU: 8733.09, 0.00302657/step Wall: 8733.09, 0.00302657/step, 1.74313 hours remaining, 208.125000 MB of memory in use. ENERGY: 2926600 723.6891 2124.4905 1935.1629 110.7263 -206742.0846 18186.8985 0.0000 0.0000 34220.6885 -149440.4289 298.8578 -183661.1174 -149343.4593 298.8686 250.8942 281.4926 556731.9206 -8.1851 -8.2841 PRESSURE: 2926800 176.071 -280.644 -118.72 -280.643 -62.4671 -80.7914 -118.721 -80.7925 -12.7481 GPRESSURE: 2926800 220.45 -251.277 -86.5642 -248.067 8.75087 -31.3885 -104.815 -43.556 -48.4179 PRESSAVG: 2926800 31.1869 8.47716 -79.6678 8.47719 -6.04543 13.738 -79.6678 13.738 7.16944 GPRESSAVG: 2926800 32.2008 7.58892 -79.5629 9.45928 -5.21785 16.3733 -78.6591 11.7555 5.38294 TIMING: 2926800 CPU: 8733.7, 0.00303369/step Wall: 8733.7, 0.00303369/step, 1.74707 hours remaining, 208.125000 MB of memory in use. ENERGY: 2926800 698.0153 2126.7902 1925.8795 126.6292 -206486.6349 17906.3427 0.0000 0.0000 34230.8278 -149472.1502 298.9463 -183702.9779 -149379.2387 299.0949 33.6187 60.2610 556054.8933 10.7703 10.7886 PRESSURE: 2927000 15.2726 29.5318 -126.643 29.5319 22.8062 -146.57 -126.642 -146.572 -20.0922 GPRESSURE: 2927000 52.0202 97.0968 -190.254 18.8077 28.9543 -140.611 -24.0458 -211.396 40.9746 PRESSAVG: 2927000 -21.079 47.8767 -55.2714 47.8767 -54.331 -8.34833 -55.2713 -8.34841 79.1556 GPRESSAVG: 2927000 -21.4679 48.6292 -56.1173 47.605 -55.9705 -8.9731 -54.718 -7.00765 81.0195 TIMING: 2927000 CPU: 8734.3, 0.00303311/step Wall: 8734.3, 0.00303311/step, 1.74657 hours remaining, 208.125000 MB of memory in use. ENERGY: 2927000 707.4695 2085.6439 1906.9812 117.1556 -206363.9569 17720.3065 0.0000 0.0000 34311.2553 -149515.1448 299.6487 -183826.4001 -149410.9401 299.3695 5.9955 40.6497 556412.6165 1.2485 1.1937 PRESSURE: 2927200 -158.469 72.5641 29.8248 72.5634 -328.261 36.3115 29.8256 36.312 97.7234 GPRESSURE: 2927200 -100.605 97.9575 -19.4933 39.2538 -333.179 98.0273 15.3001 30.1076 140.964 PRESSAVG: 2927200 21.9423 64.311 -6.75055 64.3111 -80.7874 -71.751 -6.75055 -71.751 88.5879 GPRESSAVG: 2927200 22.9256 63.8548 -7.57139 63.5815 -80.8705 -70.2833 -6.82949 -72.8574 88.1236 TIMING: 2927200 CPU: 8734.91, 0.00303351/step Wall: 8734.91, 0.00303351/step, 1.74663 hours remaining, 208.125000 MB of memory in use. ENERGY: 2927200 719.9166 2062.0460 1928.4925 122.3351 -206099.6013 17499.0796 0.0000 0.0000 34310.5013 -149457.2303 299.6421 -183767.7316 -149364.1633 299.2380 -129.6686 -97.6068 557705.5202 9.9143 10.0596 PRESSURE: 2927400 -108.922 -149.463 -49.9797 -149.463 57.4832 -38.3545 -49.9788 -38.3534 -35.1912 GPRESSURE: 2927400 -102.612 -106.091 -112.021 -111.625 106.851 -35.8477 -32.8546 -42.749 -2.55168 PRESSAVG: 2927400 -32.7086 -11.7176 -27.8544 -11.7176 -24.5737 30.1079 -27.8544 30.1078 77.3949 GPRESSAVG: 2927400 -34.9802 -9.46967 -25.1023 -11.5448 -22.6678 28.7333 -28.5514 31.5877 78.0735 TIMING: 2927400 CPU: 8735.52, 0.00303932/step Wall: 8735.52, 0.00303932/step, 1.74981 hours remaining, 208.125000 MB of memory in use. ENERGY: 2927400 762.6095 2118.8040 1924.4143 112.1240 -206054.7401 17740.4015 0.0000 0.0000 34090.4436 -149305.9433 297.7203 -183396.3870 -149214.5481 298.2684 -28.8767 0.5623 557676.6207 6.7042 6.8085 PRESSURE: 2927600 -374.305 -110.884 -18.6932 -110.884 8.90965 -188.33 -18.6936 -188.329 -113.661 GPRESSURE: 2927600 -320.645 -137.689 12.2648 -169.639 -20.9109 -217.071 -47.914 -178.79 -50.6857 PRESSAVG: 2927600 -43.7868 -4.83012 24.7212 -4.83004 -35.6626 -7.69788 24.7212 -7.69776 45.9238 GPRESSAVG: 2927600 -42.6315 -5.37237 22.2947 -3.84507 -37.0548 -7.74581 24.7282 -9.23274 45.9463 TIMING: 2927600 CPU: 8736.12, 0.00304032/step Wall: 8736.12, 0.00304032/step, 1.75021 hours remaining, 208.125000 MB of memory in use. ENERGY: 2927600 791.6589 2059.4587 1970.4969 116.5966 -206021.8720 17544.6861 0.0000 0.0000 34284.4851 -149254.4897 299.4149 -183538.9748 -149162.3500 298.9016 -159.6855 -130.7473 556856.4412 -11.1752 -11.2467 PRESSURE: 2927800 29.8573 63.8941 -58.8267 63.8948 -32.9049 -44.7384 -58.8275 -44.7388 132.841 GPRESSURE: 2927800 37.2796 42.9857 -80.6058 66.3409 28.7167 -33.7334 -91.8752 -82.8928 155.122 PRESSAVG: 2927800 -17.5942 -6.80192 19.7792 -6.80201 38.7616 8.04991 19.7791 8.04992 -11.275 GPRESSAVG: 2927800 -16.432 -8.3074 20.3982 -5.97609 37.7664 8.52572 22.6487 8.27869 -11.3868 TIMING: 2927800 CPU: 8736.74, 0.00305615/step Wall: 8736.74, 0.00305615/step, 1.75916 hours remaining, 208.125000 MB of memory in use. ENERGY: 2927800 770.6430 2062.7071 1921.6847 113.7675 -206303.3113 17960.8737 0.0000 0.0000 34298.2235 -149175.4118 299.5349 -183473.6353 -149075.1950 299.6471 43.2646 73.7060 558200.1248 3.2975 3.3159 PRESSURE: 2928000 123.485 77.9374 -70.2274 77.9375 -147.007 -10.3851 -70.2266 -10.3844 -13.3429 GPRESSURE: 2928000 158.902 125.45 -38.9244 86.7152 -66.6533 -58.1892 -18.1064 50.2178 -11.0077 PRESSAVG: 2928000 26.129 14.086 -45.4557 14.086 -9.31512 -24.8923 -45.4556 -24.8923 -31.1767 GPRESSAVG: 2928000 24.2442 12.6498 -43.0951 15.9021 -8.18612 -23.6697 -48.2455 -23.589 -30.2308 TIMING: 2928000 CPU: 8737.34, 0.00304087/step Wall: 8737.34, 0.00304087/step, 1.75019 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: 2928000 749.2485 2107.6238 1941.0193 109.0939 -206370.4547 17908.1607 0.0000 0.0000 34486.4992 -149068.8094 301.1792 -183555.3086 -148972.4457 299.2498 -12.2882 27.0802 558578.3054 -4.7876 -4.7242 PRESSURE: 2928200 85.8471 134.491 -2.02388 134.49 -103.384 70.7633 -2.02436 70.7625 -379.268 GPRESSURE: 2928200 98.3382 114.716 -6.9716 137.338 -92.9959 92.6882 19.7848 -32.5463 -304.729 PRESSAVG: 2928200 -11.7804 8.49281 -28.6382 8.49276 -18.5345 9.34501 -28.6383 9.345 -12.2421 GPRESSAVG: 2928200 -11.9163 7.16781 -31.1861 7.84898 -17.8805 8.79867 -26.8368 7.79857 -12.0593 TIMING: 2928200 CPU: 8737.95, 0.003049/step Wall: 8737.95, 0.003049/step, 1.7547 hours remaining, 208.125000 MB of memory in use. ENERGY: 2928200 721.2121 2117.3744 1933.8659 111.7305 -205591.8184 17501.2965 0.0000 0.0000 34208.4090 -148997.9300 298.7505 -183206.3391 -148897.8746 299.2852 -132.2683 -99.7957 557779.3094 -14.1857 -13.9520 LDB: ============= START OF LOAD BALANCING ============== 8741.39 LDB: ============== END OF LOAD BALANCING =============== 8741.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8741.39 LDB: ============= START OF LOAD BALANCING ============== 8741.69 LDB: Largest compute 4819 load 0.029112 is 24.7% of average load 0.118065 LDB: Average compute 0.001731 is 1.5% of average load 0.118065 LDB: TIME 8741.69 LOAD: AVG 0.118065 MAX 0.211469 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.27 MB LDB: TIME 8741.69 LOAD: AVG 0.118065 MAX 0.211469 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.27 MB LDB: TIME 8741.69 LOAD: AVG 0.118065 MAX 0.211469 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8741.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8741.7 PRESSURE: 2928400 -446.949 -22.3102 18.2384 -22.3102 -143.925 16.4769 18.2382 16.4768 -7.7947 GPRESSURE: 2928400 -427.759 19.986 41.9002 84.1399 -103.808 -80.7348 8.49158 89.2036 48.7046 PRESSAVG: 2928400 -6.79263 26.5773 -2.82612 26.5774 26.7745 -4.56788 -2.82603 -4.56791 42.4758 GPRESSAVG: 2928400 -6.23252 29.2201 -2.3493 23.9764 26.2512 -5.51161 -2.59287 -2.57208 42.4986 TIMING: 2928400 CPU: 8738.57, 0.00307629/step Wall: 8738.57, 0.00307629/step, 1.77023 hours remaining, 206.710938 MB of memory in use. ENERGY: 2928400 773.3848 2151.8005 1973.3235 103.4082 -205764.7112 17654.2129 0.0000 0.0000 34323.3861 -148785.1952 299.7547 -183108.5813 -148690.2336 300.2832 -199.5563 -160.9542 559248.7472 20.8192 20.8391 PRESSURE: 2928600 -189.437 47.9022 121.487 47.9031 -67.4995 -101.467 121.486 -101.468 -8.42042 GPRESSURE: 2928600 -99.5189 60.8839 172.471 13.6397 -100.05 -156.457 73.4444 -82.0617 27.9275 PRESSAVG: 2928600 -45.1605 -6.98404 -15.0618 -6.98392 5.55034 47.8659 -15.0618 47.8661 52.7643 GPRESSAVG: 2928600 -45.7889 -8.12857 -16.5967 -5.22813 5.45618 49.0765 -14.8132 47.4363 53.4119 TIMING: 2928600 CPU: 8739.18, 0.00305338/step Wall: 8739.18, 0.00305338/step, 1.75688 hours remaining, 206.968750 MB of memory in use. ENERGY: 2928600 741.0770 2115.1624 1926.8784 105.5953 -205749.3749 17564.6782 0.0000 0.0000 34398.9653 -148897.0183 300.4147 -183295.9836 -148796.5667 300.4607 -88.4522 -57.2139 558131.6921 4.3847 4.3597 PRESSURE: 2928800 -24.8968 35.2924 260.823 35.2907 55.5029 73.2346 260.823 73.2347 332.09 GPRESSURE: 2928800 -17.8013 5.99378 243.025 21.408 141.465 45.2156 226.146 48.2415 335.176 PRESSAVG: 2928800 -28.2522 39.3089 45.8085 39.3088 -5.30081 39.7082 45.8086 39.7081 21.9708 GPRESSAVG: 2928800 -28.1421 39.6 48.7842 39.6056 -4.81135 37.941 43.8582 38.12 21.3072 TIMING: 2928800 CPU: 8739.79, 0.00307125/step Wall: 8739.79, 0.00307125/step, 1.76699 hours remaining, 206.968750 MB of memory in use. ENERGY: 2928800 729.2433 2129.5440 1918.8265 116.8106 -206071.3460 17951.6495 0.0000 0.0000 34284.3767 -148940.8954 299.4140 -183225.2721 -148841.7463 300.3478 120.8988 152.9466 558358.5974 -3.8607 -3.8821 PRESSURE: 2929000 -141.016 -43.8012 121.647 -43.7998 -198.068 -24.4593 121.647 -24.4582 -89.6654 GPRESSURE: 2929000 -54.7706 -13.1202 126.539 -73.0598 -217.56 -2.25895 148.249 -30.9684 -58.5436 PRESSAVG: 2929000 -27.3678 -17.9708 18.9771 -17.9707 -45.147 -4.9199 18.977 -4.91995 54.3625 GPRESSAVG: 2929000 -26.5178 -15.5069 17.3445 -20.2286 -45.7685 -4.57289 21.7463 -2.93449 54.623 TIMING: 2929000 CPU: 8740.41, 0.00305941/step Wall: 8740.41, 0.00305941/step, 1.76001 hours remaining, 206.968750 MB of memory in use. ENERGY: 2929000 745.8467 2073.4953 1931.8534 127.2969 -206030.4238 17711.4083 0.0000 0.0000 34431.1418 -149009.3814 300.6957 -183440.5232 -148909.9855 300.4584 -142.9165 -110.2913 557825.6601 -6.0508 -5.8878 PRESSURE: 2929200 45.7891 99.3131 55.3657 99.3136 218.881 84.9454 55.366 84.9465 218.287 GPRESSURE: 2929200 75.8987 108.065 -74.6098 123.703 308.858 60.7943 100.683 90.5377 193.068 PRESSAVG: 2929200 -18.9095 -9.0765 0.17341 -9.07653 -28.1022 -15.2749 0.17344 -15.2749 49.7778 GPRESSAVG: 2929200 -18.7641 -11.8533 -1.35668 -6.1877 -28.4489 -15.7054 -0.584095 -17.0338 50.0198 TIMING: 2929200 CPU: 8741.02, 0.00305369/step Wall: 8741.02, 0.00305369/step, 1.75655 hours remaining, 206.968750 MB of memory in use. ENERGY: 2929200 759.2735 2162.9734 1952.6565 126.5379 -206631.7222 18046.4920 0.0000 0.0000 34432.8277 -149150.9612 300.7104 -183583.7889 -149047.0310 299.8471 160.9857 192.6082 556406.7176 0.9220 0.9356 PRESSURE: 2929400 -146.166 -49.7106 -92.8758 -49.7108 153.041 -147.251 -92.8756 -147.251 -41.3844 GPRESSURE: 2929400 -154.391 -9.21479 -17.4439 -61.8122 230.217 -93.2254 -59.879 -161.734 -15.0417 PRESSAVG: 2929400 -58.4558 2.35565 8.60691 2.35566 15.4664 7.69064 8.60688 7.69065 94.1146 GPRESSAVG: 2929400 -59.2171 5.44238 10.6963 -0.431163 15.9039 8.04102 6.57717 10.5306 93.8351 TIMING: 2929400 CPU: 8741.62, 0.00303184/step Wall: 8741.62, 0.00303184/step, 1.74381 hours remaining, 206.968750 MB of memory in use. ENERGY: 2929400 752.2889 2075.5871 1931.0336 111.3815 -206262.4007 17881.6198 0.0000 0.0000 34287.1479 -149223.3419 299.4382 -183510.4898 -149127.3978 299.3152 -11.5032 20.2614 558145.6555 17.0417 16.8406 PRESSURE: 2929600 11.5641 60.2243 -69.2155 60.2245 -190.169 -19.8203 -69.2156 -19.8191 -177.439 GPRESSURE: 2929600 13.8305 108.898 -81.6806 34.5209 -128.913 67.0414 -61.0335 -52.0442 -143.393 PRESSAVG: 2929600 3.1483 31.0146 -18.3471 31.0145 70.143 -75.151 -18.3471 -75.151 -42.1223 GPRESSAVG: 2929600 2.94225 27.8053 -18.3724 33.4031 70.585 -74.36 -16.9804 -78.3454 -42.6226 TIMING: 2929600 CPU: 8742.24, 0.00307014/step Wall: 8742.24, 0.00307014/step, 1.76567 hours remaining, 206.968750 MB of memory in use. ENERGY: 2929600 748.9299 2069.2802 1926.2721 114.6415 -206369.5693 17726.6274 0.0000 0.0000 34538.8701 -149244.9482 301.6365 -183783.8183 -149143.1426 299.6112 -118.6812 -86.1584 557955.4938 10.3897 10.3015 PRESSURE: 2929800 -131.4 200.398 -13.7422 200.397 -147.11 -119.967 -13.7421 -119.969 -296.338 GPRESSURE: 2929800 -96.5994 210.446 -12.0978 187.97 -172.613 -116.998 -5.40107 -164.016 -213.958 PRESSAVG: 2929800 13.3418 -4.57548 10.1005 -4.57551 64.8325 -14.1013 10.1006 -14.1014 -52.7814 GPRESSAVG: 2929800 13.4126 -1.81124 9.47874 -5.89675 64.4635 -15.4065 10.5323 -10.9388 -52.1326 TIMING: 2929800 CPU: 8742.85, 0.00306354/step Wall: 8742.85, 0.00306354/step, 1.76171 hours remaining, 207.031250 MB of memory in use. ENERGY: 2929800 765.1270 2102.6699 1893.5118 112.2255 -205875.1524 17517.4050 0.0000 0.0000 34360.8075 -149123.4057 300.0815 -183484.2133 -149027.6311 299.1549 -191.6158 -161.0569 557327.5175 8.4643 8.5812 PRESSURE: 2930000 371.222 84.7225 72.1526 84.7217 204.34 64.3187 72.1507 64.3183 242.525 GPRESSURE: 2930000 394.818 55.7341 49.0937 63.5492 231.845 28.0798 75.5868 74.5571 291.541 PRESSAVG: 2930000 -7.788 55.9355 23.0913 55.9355 15.252 -15.8452 23.0914 -15.8451 -67.8334 GPRESSAVG: 2930000 -8.98238 56.4823 22.0207 55.7733 15.5064 -14.5024 22.1891 -18.7116 -66.4766 TIMING: 2930000 CPU: 8743.46, 0.0030531/step Wall: 8743.46, 0.0030531/step, 1.75553 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: 2930000 720.1658 2050.2153 1942.8288 133.4251 -206696.9791 18270.4385 0.0000 0.0000 34512.2144 -149067.6913 301.4038 -183579.9057 -148975.0015 299.3859 272.6957 306.0681 556774.3807 -20.1231 -19.9842 PRESSURE: 2930200 -99.4401 -79.6905 -99.067 -79.6913 -87.0163 -62.776 -99.0676 -62.7747 140.62 GPRESSURE: 2930200 -25.1039 17.6405 -154.377 -158.385 -93.8322 -66.5401 -93.5199 -127.403 155.746 PRESSAVG: 2930200 -40.4658 -32.202 -20.8946 -32.202 76.1512 -0.120793 -20.8947 -0.120905 22.3165 GPRESSAVG: 2930200 -39.0009 -33.5448 -18.4845 -33.6608 75.2183 -0.96062 -19.9781 0.8878 21.5366 TIMING: 2930200 CPU: 8744.07, 0.00302623/step Wall: 8744.07, 0.00302623/step, 1.73992 hours remaining, 207.031250 MB of memory in use. ENERGY: 2930200 736.3887 2146.2282 1945.7003 113.5506 -206358.0214 17805.4910 0.0000 0.0000 34512.8101 -149097.8526 301.4090 -183610.6627 -149003.6312 300.4077 -15.2789 12.2699 556153.2046 19.3340 19.2513 PRESSURE: 2930400 -366.1 -78.9523 -79.871 -78.9521 -343.266 186.402 -79.8704 186.401 -141.698 GPRESSURE: 2930400 -369.612 -103.723 -67.2954 -85.03 -286.561 230.773 -129.245 162.256 -108.758 PRESSAVG: 2930400 -80.4442 19.5668 -34.6341 19.5669 22.4763 55.2586 -34.634 55.2586 56.1045 GPRESSAVG: 2930400 -81.6432 20.5401 -35.2612 20.1235 24.0888 55.925 -36.3774 53.8995 56.1054 TIMING: 2930400 CPU: 8744.67, 0.0030397/step Wall: 8744.67, 0.0030397/step, 1.74749 hours remaining, 207.031250 MB of memory in use. ENERGY: 2930400 784.2061 2088.9023 1961.4146 112.9618 -205797.3184 17475.2013 0.0000 0.0000 34239.6844 -149134.9479 299.0237 -183374.6323 -149034.3803 300.1662 -283.6880 -254.9772 558346.3989 -0.6211 -0.4830 PRESSURE: 2930600 1.2516 80.7416 23.1739 80.742 254.07 -107.938 23.1754 -107.937 -62.7524 GPRESSURE: 2930600 -0.853647 33.8911 -1.13678 63.518 316.468 -121.238 24.5638 -78.5558 -32.5619 PRESSAVG: 2930600 -42.7224 -40.3854 -33.6986 -40.3854 77.3591 13.7643 -33.6986 13.7643 24.7562 GPRESSAVG: 2930600 -42.3329 -43.3899 -33.7065 -39.6397 77.4246 14.2438 -32.038 15.1837 24.978 TIMING: 2930600 CPU: 8745.28, 0.00304254/step Wall: 8745.28, 0.00304254/step, 1.74895 hours remaining, 207.031250 MB of memory in use. ENERGY: 2930600 745.9555 2116.7059 1924.5449 119.3931 -206266.8389 17919.3079 0.0000 0.0000 34494.5153 -148946.4163 301.2492 -183440.9316 -148852.1215 299.5084 64.1897 94.3510 557863.0823 19.7976 20.0233 PRESSURE: 2930800 -413.002 116.134 -1.86226 116.133 -91.5745 -61.9156 -1.86292 -61.9159 65.1572 GPRESSURE: 2930800 -383.908 101.645 -66.4568 15.9694 -54.8291 -21.5349 20.8603 -92.3693 93.8695 PRESSAVG: 2930800 -100.759 -3.68823 -52.7529 -3.68816 54.2073 16.6171 -52.753 16.617 21.5465 GPRESSAVG: 2930800 -100.114 -3.031 -52.8905 -2.92358 53.5307 16.743 -53.0389 15.7057 21.6154 TIMING: 2930800 CPU: 8745.89, 0.00304322/step Wall: 8745.89, 0.00304322/step, 1.74917 hours remaining, 207.031250 MB of memory in use. ENERGY: 2930800 738.4395 2129.2661 1931.4715 115.5709 -205678.8125 17537.9021 0.0000 0.0000 34321.0431 -148905.1192 299.7342 -183226.1623 -148814.4523 300.3388 -146.4731 -114.9559 559592.3079 -8.3350 -8.3227 PRESSURE: 2931000 70.3552 -91.369 -44.8681 -91.3695 -256.314 152.278 -44.8679 152.279 -135.051 GPRESSURE: 2931000 87.3926 -105.865 -97.5101 -5.82044 -231.238 141.022 -0.525208 131.617 -74.1513 PRESSAVG: 2931000 -28.0158 -16.8253 -17.1337 -16.8254 -41.9771 73.8598 -17.1337 73.8597 55.9939 GPRESSAVG: 2931000 -27.9299 -16.833 -15.6862 -16.3926 -41.6895 72.3225 -16.5855 73.9915 55.2353 TIMING: 2931000 CPU: 8746.5, 0.00304277/step Wall: 8746.5, 0.00304277/step, 1.74875 hours remaining, 207.031250 MB of memory in use. ENERGY: 2931000 725.9657 2072.0662 1929.1944 116.3654 -206152.5779 17829.9934 0.0000 0.0000 34567.1141 -148911.8787 301.8832 -183478.9929 -148804.4255 299.8584 -107.0032 -72.6655 559461.4018 -4.6664 -4.7947 PRESSURE: 2931200 48.4958 99.2554 -73.6503 99.2549 -113.675 156.696 -73.6501 156.696 78.9775 GPRESSURE: 2931200 75.8213 96.2724 -59.2142 59.9564 -72.2105 138.832 -114.323 228.145 104.819 PRESSAVG: 2931200 -67.5041 -0.309605 -7.78262 -0.309577 48.6064 78.8165 -7.78259 78.8164 -28.1845 GPRESSAVG: 2931200 -67.2971 1.0948 -9.92552 -2.89875 48.908 78.5901 -9.47406 81.03 -29.0189 TIMING: 2931200 CPU: 8747.11, 0.00305896/step Wall: 8747.11, 0.00305896/step, 1.75788 hours remaining, 207.031250 MB of memory in use. ENERGY: 2931200 747.0501 2123.7215 1941.8872 124.1172 -206172.2337 17829.2214 0.0000 0.0000 34240.0000 -149166.2363 299.0264 -183406.2363 -149064.9318 299.6104 4.5995 36.1433 558187.5389 -15.6941 -15.8027 PRESSURE: 2931400 -32.9665 78.9499 74.2025 78.9492 -75.3588 -118.61 74.2032 -118.61 -278.937 GPRESSURE: 2931400 12.9736 108.82 64.0929 94.5049 -54.5729 -186.825 72.007 -117.53 -239.671 PRESSAVG: 2931400 -66.6715 25.7554 -7.32963 25.7554 71.1252 52.1622 -7.32972 52.1623 9.16676 GPRESSAVG: 2931400 -68.3715 26.3525 -7.92254 28.3029 71.2755 53.3097 -5.57298 50.4146 10.5267 TIMING: 2931400 CPU: 8747.72, 0.00304865/step Wall: 8747.72, 0.00304865/step, 1.75179 hours remaining, 207.031250 MB of memory in use. ENERGY: 2931400 745.5586 2105.8378 1943.7515 114.7578 -205609.6972 17550.8077 0.0000 0.0000 34169.4347 -148979.5490 298.4102 -183148.9837 -148881.2294 298.7870 -129.0874 -93.7568 557279.0527 4.5401 4.4769 PRESSURE: 2931600 -424.982 -26.2905 202.489 -26.2903 358.996 -32.9092 202.488 -32.9089 -61.2916 GPRESSURE: 2931600 -346.751 -40.7323 25.0213 42.9484 402.629 -73.2452 232.065 19.2205 -87.1495 PRESSAVG: 2931600 -84.6223 56.6283 19.5989 56.6283 38.6444 -23.5109 19.599 -23.5108 22.0415 GPRESSAVG: 2931600 -82.5848 55.4819 19.5903 57.4735 38.3615 -23.9167 17.0243 -23.9062 20.711 TIMING: 2931600 CPU: 8748.33, 0.00305506/step Wall: 8748.33, 0.00305506/step, 1.7553 hours remaining, 207.031250 MB of memory in use. ENERGY: 2931600 773.8318 2085.3327 1912.9999 116.6695 -206105.1958 17764.4812 0.0000 0.0000 34550.0070 -148901.8737 301.7338 -183451.8807 -148809.7688 300.2816 -42.4261 -10.4237 557142.6084 -7.9788 -7.8374 PRESSURE: 2931800 -100.652 -19.6478 -76.4141 -19.6462 103.296 130.843 -76.4136 130.844 -286.351 GPRESSURE: 2931800 -95.1116 -68.5677 -117.195 15.7732 124.026 166.589 -46.7357 88.1859 -221.283 PRESSAVG: 2931800 -1.17235 16.8579 3.77948 16.8579 112.308 -15.7774 3.77951 -15.7773 -78.4925 GPRESSAVG: 2931800 -1.43687 19.2736 2.62379 15.587 112.106 -15.3039 7.04 -15.9878 -78.2322 TIMING: 2931800 CPU: 8748.94, 0.00302008/step Wall: 8748.94, 0.00302008/step, 1.73503 hours remaining, 207.031250 MB of memory in use. ENERGY: 2931800 763.2995 2090.2298 1914.7987 111.9162 -205817.5664 17602.2107 0.0000 0.0000 34414.5278 -148920.5838 300.5506 -183335.1116 -148816.0355 300.8970 -94.5690 -64.1228 557470.8351 10.8812 10.8122 PRESSURE: 2932000 -53.0323 52.2491 181.843 52.2507 -1.40094 -74.3033 181.844 -74.3041 -160.582 GPRESSURE: 2932000 -32.6964 86.0003 276.649 33.769 48.5984 -52.4204 110.996 -61.2988 -134.691 PRESSAVG: 2932000 -62.626 39.6254 15.6041 39.6254 17.9579 -13.3712 15.6041 -13.3712 26.9717 GPRESSAVG: 2932000 -63.8362 36.3599 16.8878 41.9279 17.5906 -12.7261 13.3101 -13.4508 28.2065 TIMING: 2932000 CPU: 8749.55, 0.00304532/step Wall: 8749.55, 0.00304532/step, 1.74937 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: 2932000 714.2269 2066.1168 1932.3854 113.7410 -205627.7954 17486.6444 0.0000 0.0000 34386.7266 -148927.9544 300.3078 -183314.6810 -148829.3054 300.1883 -71.6718 -39.5963 556765.3117 -5.8988 -6.0130 PRESSURE: 2932200 -179.355 -34.3476 -29.2966 -34.3467 104.689 -143.054 -29.2969 -143.052 -252.531 GPRESSURE: 2932200 -128.863 -84.1002 -41.3405 14.9582 114.653 -156.589 56.7512 -52.0571 -204.483 PRESSAVG: 2932200 -10.3695 60.114 -28.8787 60.1139 27.2325 -61.2125 -28.8788 -61.2125 -47.0587 GPRESSAVG: 2932200 -9.66722 63.064 -29.3413 57.3992 27.5138 -62.6282 -28.0989 -61.7947 -47.7696 TIMING: 2932200 CPU: 8750.16, 0.00307476/step Wall: 8750.16, 0.00307476/step, 1.76611 hours remaining, 207.031250 MB of memory in use. ENERGY: 2932200 751.0882 2159.2039 1922.3260 116.7224 -205600.4040 17417.2343 0.0000 0.0000 34219.1257 -149014.7035 298.8441 -183233.8292 -148919.3672 299.8356 -109.0658 -72.8980 556359.0026 -10.0652 -9.9743 LDB: ============= START OF LOAD BALANCING ============== 8753.6 LDB: ============== END OF LOAD BALANCING =============== 8753.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8753.6 LDB: ============= START OF LOAD BALANCING ============== 8753.91 LDB: Largest compute 4819 load 0.031667 is 26.8% of average load 0.118010 LDB: Average compute 0.001736 is 1.5% of average load 0.118010 LDB: TIME 8753.91 LOAD: AVG 0.11801 MAX 0.21271 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 8753.91 LOAD: AVG 0.11801 MAX 0.21271 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.141 MB LDB: TIME 8753.91 LOAD: AVG 0.11801 MAX 0.21271 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.141 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8753.91 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8753.91 PRESSURE: 2932400 61.5839 -181.601 -0.0726918 -181.603 115.722 63.0713 -0.0730437 63.0707 121.251 GPRESSURE: 2932400 124.26 -233.465 -32.8581 -224.191 141.881 48.6538 -17.2248 74.183 127.128 PRESSAVG: 2932400 -42.6946 -61.3177 4.39333 -61.3177 99.3249 -23.6863 4.39332 -23.6863 -25.1651 GPRESSAVG: 2932400 -42.548 -63.4726 5.98833 -59.7733 98.0382 -23.9395 2.99426 -21.3686 -24.1206 TIMING: 2932400 CPU: 8750.79, 0.00312703/step Wall: 8750.79, 0.00312703/step, 1.79596 hours remaining, 206.199219 MB of memory in use. ENERGY: 2932400 737.2296 2036.7689 1959.1627 111.2392 -206120.9799 17873.1237 0.0000 0.0000 34213.5469 -149189.9090 298.7954 -183403.4559 -149092.2264 299.5422 99.5189 131.0895 556704.8390 10.4884 10.4565 PRESSURE: 2932600 -147.066 13.8551 110.472 13.8568 -134.566 117.665 110.473 117.665 -154.082 GPRESSURE: 2932600 -176.19 46.9305 62.4529 128.523 -93.4821 37.6554 155.071 84.5764 -63.7923 PRESSAVG: 2932600 37.6801 -2.14366 12.4645 -2.14366 51.8171 -27.0833 12.4643 -27.0833 -51.4383 GPRESSAVG: 2932600 36.2939 -2.4331 11.1604 -2.83298 53.031 -26.5313 14.5976 -26.2702 -50.9178 TIMING: 2932600 CPU: 8751.4, 0.0030611/step Wall: 8751.4, 0.0030611/step, 1.75792 hours remaining, 206.199219 MB of memory in use. ENERGY: 2932600 753.2523 2075.4534 1942.8188 121.6466 -205676.2448 17466.2517 0.0000 0.0000 34131.5246 -149185.2974 298.0791 -183316.8220 -149089.4067 299.6425 -145.2381 -111.1548 555758.2408 12.6863 12.8024 PRESSURE: 2932800 -164.558 -28.0596 -208.3 -28.0599 35.2433 192.778 -208.3 192.778 -149.663 GPRESSURE: 2932800 -162.473 -14.0436 -140.175 -1.30271 125.692 106.201 -257.881 223.67 -140.69 PRESSAVG: 2932800 -29.5913 16.1756 -42.5991 16.1756 46.7459 12.3949 -42.5991 12.3948 -14.6186 GPRESSAVG: 2932800 -29.0254 14.7504 -43.0261 18.2327 46.6135 13.1262 -43.2197 10.271 -15.1015 TIMING: 2932800 CPU: 8752.01, 0.00306718/step Wall: 8752.01, 0.00306718/step, 1.76125 hours remaining, 206.199219 MB of memory in use. ENERGY: 2932800 755.8409 2099.0463 1938.0691 111.4838 -205812.0714 17689.8781 0.0000 0.0000 34073.9676 -149143.7856 297.5764 -183217.7532 -149055.7789 299.6391 -92.9926 -59.1571 558016.2900 0.8454 0.8289 PRESSURE: 2933000 -108.358 -2.36636 86.4701 -2.36446 -81.111 -18.2531 86.4703 -18.252 -24.5243 GPRESSURE: 2933000 -53.6774 13.7136 -8.10394 11.4896 -17.2321 9.65003 126.042 -5.46442 -46.5859 PRESSAVG: 2933000 -67.301 -26.3294 2.78619 -26.3294 33.9566 -3.66682 2.78618 -3.66689 43.5772 GPRESSAVG: 2933000 -67.2008 -24.6926 2.07186 -27.5081 34.7124 -4.44064 0.834568 -4.8936 43.203 TIMING: 2933000 CPU: 8752.62, 0.00306644/step Wall: 8752.62, 0.00306644/step, 1.76065 hours remaining, 206.199219 MB of memory in use. ENERGY: 2933000 717.6736 2077.1019 1936.0962 115.4818 -205885.2539 17786.1376 0.0000 0.0000 34140.6337 -149112.1291 298.1586 -183252.7628 -149016.3146 299.3262 -71.3311 -39.1651 558702.6071 3.4109 3.5715 PRESSURE: 2933200 -90.2401 -45.5365 -25.9803 -45.5376 8.31667 -77.8641 -25.979 -77.8659 -34.0365 GPRESSURE: 2933200 -57.2428 -113.403 -55.1716 -73.7793 62.4089 -83.8869 11.4658 -33.7687 -27.1477 PRESSAVG: 2933200 8.86355 13.5083 -33.8528 13.5082 -11.1444 16.8324 -33.8527 16.8325 35.1891 GPRESSAVG: 2933200 8.91952 13.8481 -33.544 13.1073 -11.7369 17.2403 -30.6937 17.7505 35.3488 TIMING: 2933200 CPU: 8753.24, 0.00305678/step Wall: 8753.24, 0.00305678/step, 1.75493 hours remaining, 206.199219 MB of memory in use. ENERGY: 2933200 741.2741 2064.9568 1927.0078 110.0215 -205814.5682 17762.6666 0.0000 0.0000 34135.2007 -149073.4407 298.1112 -183208.6414 -148982.2504 299.4554 -38.6533 -7.3272 558026.8013 10.9694 10.8438 PRESSURE: 2933400 -364.894 -67.2448 142.983 -67.2435 -121.956 61.4613 142.983 61.4616 -134.671 GPRESSURE: 2933400 -301.125 -21.4292 208.867 -101.28 -131.214 19.5663 176.14 120.985 -104.221 PRESSAVG: 2933400 61.6911 31.8599 -47.1472 31.8598 2.71014 -52.6146 -47.1473 -52.6146 -93.4895 GPRESSAVG: 2933400 62.4964 33.4022 -47.6818 32.093 2.80166 -53.361 -47.6289 -52.0886 -94.448 TIMING: 2933400 CPU: 8753.85, 0.00305913/step Wall: 8753.85, 0.00305913/step, 1.75611 hours remaining, 206.199219 MB of memory in use. ENERGY: 2933400 755.8201 2082.2514 1948.6633 120.6622 -205586.0187 17300.0373 0.0000 0.0000 34161.6017 -149216.9826 298.3418 -183378.5843 -149123.4216 299.5538 -207.1738 -178.8536 557490.3972 -9.6961 -9.7166 PRESSURE: 2933600 30.249 -115.311 -0.953876 -115.313 -127.684 -134.109 -0.952523 -134.11 -116.279 GPRESSURE: 2933600 41.9893 -178.413 -74.8397 13.2265 -31.9371 -100.561 61.5998 -112.04 -127.375 PRESSAVG: 2933600 18.6522 11.7486 -45.8804 11.7486 -4.19676 31.5037 -45.8804 31.5037 -40.5669 GPRESSAVG: 2933600 17.5546 10.7806 -44.6613 13.4173 -3.45539 30.3812 -46.0515 30.7295 -39.7757 TIMING: 2933600 CPU: 8754.45, 0.0030305/step Wall: 8754.45, 0.0030305/step, 1.73951 hours remaining, 206.199219 MB of memory in use. ENERGY: 2933600 761.4872 2110.4369 1950.1929 124.8221 -206078.9237 17634.4673 0.0000 0.0000 34431.0173 -149066.5000 300.6946 -183497.5173 -148970.6433 299.7003 -71.2377 -39.1075 557343.1268 -8.7038 -8.5588 PRESSURE: 2933800 -100.812 46.4245 0.886454 46.4246 -9.63393 24.9256 0.886932 24.9248 -101.983 GPRESSURE: 2933800 -51.9978 70.4066 3.41412 -44.3697 35.3741 56.5798 19.2247 17.7581 -92.6543 PRESSAVG: 2933800 11.8711 31.279 -60.3328 31.279 -16.6278 40.0265 -60.3328 40.0265 -20.1954 GPRESSAVG: 2933800 11.5983 30.8222 -62.2876 30.3874 -16.0846 40.9188 -58.647 40.7757 -20.3564 TIMING: 2933800 CPU: 8755.06, 0.00304571/step Wall: 8755.06, 0.00304571/step, 1.74807 hours remaining, 206.199219 MB of memory in use. ENERGY: 2933800 753.0961 2089.3080 1937.2418 103.2916 -205889.0824 17746.2425 0.0000 0.0000 34295.4730 -148964.4294 299.5109 -183259.9023 -148865.3208 299.9685 -70.8096 -36.4260 558059.3796 -8.3174 -8.2809 PRESSURE: 2934000 -36.3425 -11.4954 78.4878 -11.494 148.061 80.181 78.4878 80.1803 159.44 GPRESSURE: 2934000 53.1215 38.6209 41.5385 52.6852 156.592 32.8925 75.8 142.594 148.372 PRESSAVG: 2934000 -5.93374 57.7213 27.4017 57.7213 15.138 -6.13591 27.4017 -6.13597 -25.3559 GPRESSAVG: 2934000 -5.2345 57.6124 26.401 57.7428 14.6073 -6.83434 28.078 -6.1977 -25.6566 TIMING: 2934000 CPU: 8755.67, 0.00303694/step Wall: 8755.67, 0.00303694/step, 1.74287 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: 2934000 762.7098 2075.2141 1951.2768 115.3836 -206134.3757 17962.3281 0.0000 0.0000 34253.3253 -149014.1380 299.1428 -183267.4633 -148913.4819 300.0214 90.3863 119.3618 558365.2230 -5.3839 -5.4279 PRESSURE: 2934200 66.1227 40.2247 -161.076 40.2244 -205.4 71.113 -161.077 71.1124 -218.75 GPRESSURE: 2934200 82.7036 96.032 -97.9759 32.1227 -203.892 67.0338 -178.939 62.7098 -143.099 PRESSAVG: 2934200 37.7455 0.682372 -12.0977 0.682327 3.14196 44.6415 -12.0978 44.6416 -9.22866 GPRESSAVG: 2934200 36.574 2.40694 -9.95616 -2.11656 3.31787 44.1582 -15.4528 44.2377 -7.77519 TIMING: 2934200 CPU: 8756.28, 0.00306207/step Wall: 8756.28, 0.00306207/step, 1.75712 hours remaining, 206.199219 MB of memory in use. ENERGY: 2934200 738.3749 2053.8272 1907.6971 118.1998 -205744.4940 17624.8747 0.0000 0.0000 34379.2062 -148922.3142 300.2422 -183301.5204 -148819.3145 300.2842 -119.3422 -88.0955 557988.3919 10.5529 10.7056 PRESSURE: 2934400 -27.4235 -131.099 75.4006 -131.099 -45.586 -10.0045 75.3996 -10.0051 76.6679 GPRESSURE: 2934400 -7.67558 -120.37 52.2543 -128.974 -6.23686 13.7553 77.1782 16.9484 120.831 PRESSAVG: 2934400 -64.7127 -36.347 -1.6018 -36.3469 82.7777 64.7407 -1.60177 64.7407 -25.9377 GPRESSAVG: 2934400 -63.4305 -37.095 -2.98927 -34.7025 81.5364 65.0961 -0.0709193 64.3766 -26.4847 TIMING: 2934400 CPU: 8756.89, 0.00303048/step Wall: 8756.89, 0.00303048/step, 1.73882 hours remaining, 206.269531 MB of memory in use. ENERGY: 2934400 740.3259 2148.6650 1949.6852 113.6031 -205919.0955 17702.2731 0.0000 0.0000 34237.4623 -149027.0808 299.0043 -183264.5431 -148937.4884 299.7368 1.2195 35.6395 557304.6821 -2.6242 -2.7930 PRESSURE: 2934600 -258.14 -175.427 5.34391 -175.429 121.248 -61.7593 5.34263 -61.7589 20.915 GPRESSURE: 2934600 -198.406 -213.195 -42.5878 -155.497 172.18 -1.03387 12.6514 -74.5841 18.6174 PRESSAVG: 2934600 -62.7518 -29.7834 18.517 -29.7835 60.1571 49.9538 18.517 49.9539 -20.744 GPRESSAVG: 2934600 -62.1681 -32.2664 20.4261 -28.562 60.1661 50.3207 18.6241 51.6439 -21.1615 TIMING: 2934600 CPU: 8757.49, 0.00302221/step Wall: 8757.49, 0.00302221/step, 1.73391 hours remaining, 206.269531 MB of memory in use. ENERGY: 2934600 766.9287 2090.5492 1928.5810 118.8161 -205977.3497 17828.7850 0.0000 0.0000 34099.5127 -149144.1771 297.7995 -183243.6898 -149046.0440 299.3575 -38.6591 -2.5360 557869.6353 -7.7796 -7.7211 PRESSURE: 2934800 -53.5672 -55.5742 63.2045 -55.5752 159.916 65.6696 63.2033 65.6677 -108.147 GPRESSURE: 2934800 -23.6929 -108.082 38.9554 -57.4025 189.264 -33.3672 69.2838 112.64 -72.6652 PRESSAVG: 2934800 37.1176 -17.0593 -8.88046 -17.0593 67.1164 -26.3025 -8.88057 -26.3025 -72.6277 GPRESSAVG: 2934800 36.7627 -16.0326 -8.74084 -17.9648 67.8438 -25.3012 -8.69697 -27.9769 -73.3368 TIMING: 2934800 CPU: 8758.1, 0.00303894/step Wall: 8758.1, 0.00303894/step, 1.74334 hours remaining, 206.269531 MB of memory in use. ENERGY: 2934800 742.5543 2081.4752 1936.5099 120.3128 -206028.2298 17739.5903 0.0000 0.0000 34233.8793 -149173.9080 298.9730 -183407.7873 -149074.7201 298.8539 -0.5994 30.9686 556918.7755 10.5354 10.4232 PRESSURE: 2935000 186.318 -77.5555 76.1758 -77.5556 -96.5899 132.859 76.1752 132.859 -115.908 GPRESSURE: 2935000 221.098 -138.226 90.608 -61.3335 -74.2675 112.662 104.701 157.2 -68.8341 PRESSAVG: 2935000 42.7696 -60.8262 17.6874 -60.8263 -16.4403 -38.8503 17.6874 -38.8503 -9.72858 GPRESSAVG: 2935000 42.2089 -60.8806 14.7835 -62.0415 -16.3758 -38.9055 17.0037 -37.2261 -9.49074 TIMING: 2935000 CPU: 8758.71, 0.00305591/step Wall: 8758.71, 0.00305591/step, 1.7529 hours remaining, 206.269531 MB of memory in use. ENERGY: 2935000 795.0822 2055.8536 1916.5377 116.4372 -206415.6571 17898.3034 0.0000 0.0000 34482.5667 -149150.8763 301.1448 -183633.4430 -149055.2363 299.8043 -8.7267 25.9987 557527.9596 5.5336 5.4474 PRESSURE: 2935200 -138.496 -58.2478 -106.238 -58.2484 -31.6214 37.626 -106.239 37.6272 -180.155 GPRESSURE: 2935200 -142.32 -87.976 -153.647 -94.6525 -24.9872 50.0809 -181.001 -30.4912 -79.8795 PRESSAVG: 2935200 25.6393 -38.0391 -13.0588 -38.0392 -31.271 16.4019 -13.0588 16.4019 -35.6978 GPRESSAVG: 2935200 24.9055 -37.8259 -9.39656 -36.7222 -31.3807 14.6748 -13.771 14.8032 -35.026 TIMING: 2935200 CPU: 8759.33, 0.00307471/step Wall: 8759.33, 0.00307471/step, 1.76352 hours remaining, 206.269531 MB of memory in use. ENERGY: 2935200 713.1696 2059.3762 1954.4338 110.7976 -206299.9136 17855.8152 0.0000 0.0000 34498.5699 -149107.7513 301.2846 -183606.3212 -149005.5118 299.7430 -116.7573 -82.3956 558349.2380 -13.7765 -13.8337 PRESSURE: 2935400 -56.0888 -106.188 44.4537 -106.188 -80.8809 -24.3434 44.4539 -24.3432 -315.654 GPRESSURE: 2935400 2.91178 -143.426 68.5995 -84.7171 -76.5921 -18.7861 44.1523 -80.8701 -280.03 PRESSAVG: 2935400 -12.2991 14.8176 19.2596 14.8175 -17.5018 12.0123 19.2595 12.0123 61.438 GPRESSAVG: 2935400 -12.0295 13.7082 15.6798 15.3999 -17.725 12.033 21.6962 12.9952 61.4346 TIMING: 2935400 CPU: 8759.94, 0.00307091/step Wall: 8759.94, 0.00307091/step, 1.76117 hours remaining, 206.269531 MB of memory in use. ENERGY: 2935400 753.6005 2052.4656 1918.3282 119.9267 -205914.1717 17566.8792 0.0000 0.0000 34510.4774 -148992.4940 301.3886 -183502.9714 -148895.5337 299.8991 -150.8746 -117.9035 557902.5173 10.5457 10.5600 PRESSURE: 2935600 -168.318 11.3291 -175.389 11.3291 227.011 99.0141 -175.388 99.0152 22.8183 GPRESSURE: 2935600 -82.2932 44.6382 -62.9636 -3.39975 197.534 159.341 -232.246 47.1966 58.0248 PRESSAVG: 2935600 -7.86645 69.3753 -20.8407 69.3753 -8.7804 43.4182 -20.8408 43.4183 -2.55788 GPRESSAVG: 2935600 -8.60192 70.2238 -19.9898 69.1914 -8.1943 44.3224 -23.9858 44.6794 -1.72047 TIMING: 2935600 CPU: 8760.55, 0.00306689/step Wall: 8760.55, 0.00306689/step, 1.75869 hours remaining, 206.269531 MB of memory in use. ENERGY: 2935600 727.4357 2066.7954 1914.4390 100.8446 -206089.3642 17741.1939 0.0000 0.0000 34380.1353 -149158.5201 300.2503 -183538.6554 -149051.0803 300.7878 27.1703 57.7552 556616.0280 -6.4016 -6.1722 PRESSURE: 2935800 283.487 12.4262 -47.605 12.4274 309.926 58.976 -47.6045 58.9751 -46.3521 GPRESSURE: 2935800 364.308 -41.4255 -93.9939 -1.865 363.143 60.6558 -24.0505 51.8986 -76.999 PRESSAVG: 2935800 14.1709 -36.8745 6.36201 -36.8745 73.1608 35.1138 6.36194 35.1138 -68.6169 GPRESSAVG: 2935800 14.3445 -35.8182 4.87805 -38.9469 73.4762 34.3577 6.69687 36.8899 -69.3132 TIMING: 2935800 CPU: 8761.16, 0.00303737/step Wall: 8761.16, 0.00303737/step, 1.74159 hours remaining, 206.269531 MB of memory in use. ENERGY: 2935800 724.1504 2050.5372 1928.8800 106.6712 -206416.0762 18068.5158 0.0000 0.0000 34320.7473 -149216.5742 299.7316 -183537.3216 -149122.1276 299.8367 182.3537 216.8175 556609.9668 6.2383 6.1692 PRESSURE: 2936000 -2.31787 -43.392 50.7267 -43.3926 162.612 23.7353 50.7265 23.7342 -135.907 GPRESSURE: 2936000 17.5966 14.1157 49.4665 1.83442 155.623 -34.3242 43.6414 148.01 -40.2292 PRESSAVG: 2936000 46.5225 4.87175 -31.8376 4.87179 1.79785 22.6361 -31.8377 22.636 -24.9595 GPRESSAVG: 2936000 46.4295 3.58086 -31.8743 5.88655 1.45724 23.6015 -29.2567 20.3803 -24.2411 TIMING: 2936000 CPU: 8761.77, 0.00303102/step Wall: 8761.77, 0.00303102/step, 1.73778 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: 2936000 749.9165 2087.7659 1932.5777 115.8373 -206454.2618 17890.9619 0.0000 0.0000 34268.8930 -149408.3094 299.2788 -183677.2024 -149302.0265 299.7298 8.1291 44.3300 556825.5536 7.7869 7.8819 PRESSURE: 2936200 120.351 168.038 25.3121 168.038 12.4661 124.623 25.3131 124.624 -114.497 GPRESSURE: 2936200 136.617 194.786 16.961 163.189 36.1158 60.7331 6.55112 177.889 -65.7911 PRESSAVG: 2936200 -43.7811 26.4555 -18.6711 26.4555 70.2125 -22.4044 -18.6709 -22.4045 -7.30124 GPRESSAVG: 2936200 -44.3032 25.4964 -16.106 26.0025 70.9135 -21.3469 -21.8834 -21.8614 -8.2154 TIMING: 2936200 CPU: 8762.38, 0.00304469/step Wall: 8762.38, 0.00304469/step, 1.74545 hours remaining, 206.269531 MB of memory in use. ENERGY: 2936200 755.3466 2050.6386 1939.3560 107.3187 -206226.2377 17799.4769 0.0000 0.0000 34230.7667 -149343.3341 298.9458 -183574.1008 -149243.8184 299.4610 6.1065 35.6473 557496.7021 6.3767 6.1316 LDB: ============= START OF LOAD BALANCING ============== 8765.81 LDB: ============== END OF LOAD BALANCING =============== 8765.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8765.81 LDB: ============= START OF LOAD BALANCING ============== 8766.12 LDB: Largest compute 4819 load 0.030008 is 25.4% of average load 0.118009 LDB: Average compute 0.001738 is 1.5% of average load 0.118009 LDB: TIME 8766.12 LOAD: AVG 0.118009 MAX 0.213178 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.227 MB LDB: TIME 8766.12 LOAD: AVG 0.118009 MAX 0.213178 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: TIME 8766.12 LOAD: AVG 0.118009 MAX 0.213178 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.227 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8766.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8766.13 PRESSURE: 2936400 74.6047 104.544 4.78889 104.542 -89.6115 2.12364 4.7885 2.12402 146.079 GPRESSURE: 2936400 140.031 140.248 -76.3258 122.052 -104.54 -0.0323463 -22.6812 6.42899 180.498 PRESSAVG: 2936400 -2.61053 73.5027 48.2895 73.5027 -13.2837 42.3418 48.2895 42.3417 26.2208 GPRESSAVG: 2936400 -2.13051 75.2558 48.3657 72.3904 -14.3737 41.5938 49.1459 40.1468 26.7799 TIMING: 2936400 CPU: 8763, 0.00310371/step Wall: 8763, 0.0031037/step, 1.77911 hours remaining, 207.335938 MB of memory in use. ENERGY: 2936400 742.0190 2094.3488 1913.8742 124.1860 -206201.6781 17729.5670 0.0000 0.0000 34193.0730 -149404.6100 298.6166 -183597.6830 -149319.9668 298.8591 43.6908 71.9959 556252.0064 3.4422 3.4252 PRESSURE: 2936600 110.912 193.224 8.64665 193.225 -68.6773 93.6559 8.64675 93.6546 95.5653 GPRESSURE: 2936600 179.434 191.876 29.2389 237.715 -42.1225 104.365 69.3992 48.5414 116.719 PRESSAVG: 2936600 2.82048 22.7618 15.4098 22.7618 -28.1983 7.05229 15.4097 7.05231 22.6414 GPRESSAVG: 2936600 2.14813 21.0298 14.2517 25.6084 -27.4848 7.75568 17.6685 6.69338 22.48 TIMING: 2936600 CPU: 8763.61, 0.00304611/step Wall: 8763.61, 0.00304611/step, 1.74593 hours remaining, 207.539062 MB of memory in use. ENERGY: 2936600 729.2594 2124.2103 1939.7120 107.1461 -206454.6663 17865.3202 0.0000 0.0000 34339.6218 -149349.3964 299.8965 -183689.0183 -149245.7783 298.9922 45.9332 84.6767 555068.7754 -0.9121 -0.9522 PRESSURE: 2936800 -131.497 -14.1266 -233.975 -14.1261 -96.7196 8.57709 -233.974 8.57657 -79.0613 GPRESSURE: 2936800 -76.0597 14.8218 -229.438 -41.1034 -77.4251 44.3701 -173.777 45.0287 -51.1439 PRESSAVG: 2936800 -46.8258 22.3729 22.606 22.3728 -27.7654 2.23672 22.606 2.23676 63.798 GPRESSAVG: 2936800 -46.7119 23.3044 21.2503 20.6444 -28.3235 1.22004 24.2926 3.36768 63.4965 TIMING: 2936800 CPU: 8764.22, 0.00304987/step Wall: 8764.22, 0.00304988/step, 1.74792 hours remaining, 207.539062 MB of memory in use. ENERGY: 2936800 755.9160 2088.0100 1886.1567 108.3750 -206476.3984 17802.6062 0.0000 0.0000 34286.2867 -149549.0478 299.4307 -183835.3345 -149451.0494 298.9591 -102.4261 -68.2096 557734.8207 -3.5978 -3.8463 PRESSURE: 2937000 79.9393 66.7398 67.3468 66.74 300.907 24.9995 67.3479 24.9994 77.9378 GPRESSURE: 2937000 142.763 104.943 112.044 -6.20153 327.454 -32.926 56.7776 70.8147 91.9451 PRESSAVG: 2937000 -0.0959451 -24.5828 27.7706 -24.5828 0.865375 -33.4836 27.7705 -33.4835 16.0038 GPRESSAVG: 2937000 0.389355 -21.3179 30.2504 -26.3292 1.31194 -32.5216 24.3939 -34.4294 15.6331 TIMING: 2937000 CPU: 8764.83, 0.0030641/step Wall: 8764.83, 0.0030641/step, 1.7559 hours remaining, 207.539062 MB of memory in use. ENERGY: 2937000 737.7656 2082.8894 1919.4159 114.4028 -206642.0902 18014.6650 0.0000 0.0000 34127.1592 -149645.7924 298.0410 -183772.9516 -149546.8933 298.3421 152.9279 187.3871 556567.2812 5.5911 5.7781 PRESSURE: 2937200 -29.9821 -6.03589 50.6645 -6.03421 169.662 -112.831 50.6639 -112.832 320.033 GPRESSURE: 2937200 -40.796 39.1242 1.26821 18.32 229.78 -101.917 72.8804 -145.508 355.136 PRESSAVG: 2937200 8.27629 26.5838 25.8523 26.5839 -35.4705 -66.3528 25.8524 -66.3528 -41.2835 GPRESSAVG: 2937200 7.21968 24.179 24.5343 28.0569 -35.4231 -65.4686 26.8006 -65.4825 -40.3158 TIMING: 2937200 CPU: 8765.44, 0.00304525/step Wall: 8765.44, 0.00304525/step, 1.74493 hours remaining, 207.539062 MB of memory in use. ENERGY: 2937200 706.2650 2085.2667 1922.4239 107.5304 -206760.3512 17978.3298 0.0000 0.0000 34154.6188 -149805.9166 298.2808 -183960.5355 -149705.4280 297.3375 153.2379 181.3736 556326.2084 -22.8259 -22.8397 PRESSURE: 2937400 -161.738 58.4862 -40.4291 58.4865 181.912 38.072 -40.4296 38.0726 32.2621 GPRESSURE: 2937400 -89.3185 77.3036 -122.779 131.518 171.051 23.2295 -86.665 46.362 68.2186 PRESSAVG: 2937400 -62.4277 14.264 45.1583 14.264 29.2669 -17.8666 45.1583 -17.8667 34.7842 GPRESSAVG: 2937400 -61.2646 13.6422 45.18 15.8521 29.2786 -17.026 43.5663 -18.0099 32.8672 TIMING: 2937400 CPU: 8766.05, 0.00303682/step Wall: 8766.05, 0.00303682/step, 1.73993 hours remaining, 207.539062 MB of memory in use. ENERGY: 2937400 708.0681 2094.9037 1905.1659 104.0235 -206731.0338 18064.2869 0.0000 0.0000 34047.3726 -149807.2132 297.3442 -183854.5858 -149712.4070 297.2987 17.4786 49.9836 556893.7374 0.5412 0.2937 PRESSURE: 2937600 -175.539 18.0439 -41.9999 18.0433 -214.813 80.6094 -42.0006 80.6098 -113.616 GPRESSURE: 2937600 -189.529 30.3238 -77.025 -77.8277 -166.016 74.6192 -28.4592 139.596 -45.2571 PRESSAVG: 2937600 21.3081 29.9202 -36.6561 29.9202 44.8966 18.0338 -36.6561 18.0338 -14.8378 GPRESSAVG: 2937600 21.3174 31.3612 -37.2966 29.3774 43.4869 15.2619 -34.7267 18.3413 -13.6826 TIMING: 2937600 CPU: 8766.65, 0.00300119/step Wall: 8766.65, 0.00300119/step, 1.71935 hours remaining, 207.539062 MB of memory in use. ENERGY: 2937600 766.5319 2122.0312 1906.8411 100.4356 -206761.2005 17892.6942 0.0000 0.0000 34074.8359 -149897.8306 297.5840 -183972.6665 -149801.5860 297.5537 -167.9891 -133.6009 558355.1158 17.1223 17.0405 PRESSURE: 2937800 112.811 149.168 68.8145 149.167 -79.4453 78.4178 68.8147 78.4166 7.1362 GPRESSURE: 2937800 140.759 164.505 105.409 52.9435 -93.795 68.6652 5.89895 51.6711 99.4059 PRESSAVG: 2937800 19.9405 -14.1677 -21.4467 -14.1677 13.5906 25.1189 -21.4467 25.1188 -30.3597 GPRESSAVG: 2937800 19.6964 -13.2024 -18.8146 -15.7485 13.6611 27.546 -22.2854 21.7023 -29.8495 TIMING: 2937800 CPU: 8767.25, 0.0030161/step Wall: 8767.25, 0.0030161/step, 1.72772 hours remaining, 207.539062 MB of memory in use. ENERGY: 2937800 735.8154 2076.9279 1926.8114 126.2172 -206698.2977 17979.8464 0.0000 0.0000 33975.4312 -149877.2482 296.7159 -183852.6794 -149782.9206 296.7843 13.5005 48.7900 556407.2632 1.0571 1.1694 PRESSURE: 2938000 -90.8155 -49.7763 -68.7847 -49.7776 -266.916 131.471 -68.7852 131.47 -128.165 GPRESSURE: 2938000 -32.9975 -30.617 -64.7668 -110.007 -227.137 110.355 -76.2761 175.457 -135.001 PRESSAVG: 2938000 -22.3743 -7.40206 -25.2682 -7.40217 48.8757 78.997 -25.2682 78.9969 -41.0053 GPRESSAVG: 2938000 -21.7183 -9.31432 -27.7913 -5.60402 48.6324 77.7095 -26.177 80.315 -41.995 TIMING: 2938000 CPU: 8767.85, 0.00301772/step Wall: 8767.85, 0.00301772/step, 1.72848 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: 2938000 763.0838 2064.5910 1912.4694 108.5408 -206346.4452 17650.1767 0.0000 0.0000 33903.1156 -149944.4680 296.0843 -183847.5836 -149847.7424 297.3925 -161.9654 -131.7118 557612.2350 -4.8346 -5.0269 PRESSURE: 2938200 14.294 3.86636 102.152 3.8657 -57.9805 136.112 102.152 136.112 162.029 GPRESSURE: 2938200 34.4733 -11.4806 81.0972 26.6307 -1.75584 172.846 91.1014 66.6565 183.931 PRESSAVG: 2938200 36.5978 46.482 -22.997 46.482 -16.5006 33.5116 -22.997 33.5116 -37.3414 GPRESSAVG: 2938200 36.5724 45.2352 -21.6888 46.2735 -16.8137 32.943 -20.9478 35.4774 -36.5565 TIMING: 2938200 CPU: 8768.46, 0.00303159/step Wall: 8768.46, 0.00303159/step, 1.73626 hours remaining, 207.539062 MB of memory in use. ENERGY: 2938200 763.2225 2130.7473 1917.5697 107.5111 -206766.6391 17950.2034 0.0000 0.0000 34050.2845 -149847.1006 297.3696 -183897.3852 -149756.9934 297.4922 39.4475 72.2161 555391.2218 -5.7481 -5.5993 PRESSURE: 2938400 -176.267 52.1338 76.582 52.1341 -96.451 0.660064 76.581 0.660723 -180.909 GPRESSURE: 2938400 -97.1054 36.2339 62.0717 40.9019 -67.9045 16.4557 84.5508 -40.3062 -185.27 PRESSAVG: 2938400 13.1586 -15.2456 6.11507 -15.2456 0.338881 34.8978 6.11505 34.8977 15.8957 GPRESSAVG: 2938400 11.5097 -15.0227 5.65018 -13.4609 1.76635 35.5772 6.05765 34.6006 15.8866 TIMING: 2938400 CPU: 8769.06, 0.00301948/step Wall: 8769.06, 0.00301948/step, 1.72916 hours remaining, 207.539062 MB of memory in use. ENERGY: 2938400 741.7001 2074.4307 1943.2608 120.1158 -206182.0850 17538.8678 0.0000 0.0000 33984.4260 -149779.2836 296.7944 -183763.7097 -149682.3302 298.6445 -151.2088 -116.7599 556342.0979 9.7977 9.7209 PRESSURE: 2938600 130.566 -140.268 -52.6461 -140.269 254.933 -110.178 -52.6468 -110.178 104.796 GPRESSURE: 2938600 103.998 -41.9702 -48.6419 -234.435 337.902 -118.036 -59.0049 -67.7688 142.002 PRESSAVG: 2938600 -14.5672 5.89761 17.9664 5.89761 -13.8158 11.3879 17.9663 11.3879 17.8717 GPRESSAVG: 2938600 -12.9426 5.89843 18.5855 4.06399 -14.5526 12.3619 17.4446 10.8443 17.6493 TIMING: 2938600 CPU: 8769.66, 0.00299299/step Wall: 8769.66, 0.00299299/step, 1.71382 hours remaining, 207.539062 MB of memory in use. ENERGY: 2938600 746.7668 2086.3902 1962.2000 119.3343 -206719.2132 18015.3313 0.0000 0.0000 34035.4031 -149753.7876 297.2396 -183789.1907 -149660.0176 297.8216 163.4317 194.6340 557465.1942 -3.5038 -3.2820 PRESSURE: 2938800 -8.04896 -70.1777 -143.74 -70.178 -89.98 2.54728 -143.739 2.54663 -93.2119 GPRESSURE: 2938800 39.6744 42.0424 -167.523 -96.2885 -72.3212 31.4771 -104.232 -23.7401 -56.6341 PRESSAVG: 2938800 -43.9012 -63.8877 -1.87157 -63.8878 86.063 -10.2426 -1.87157 -10.2426 25.7467 GPRESSAVG: 2938800 -45.0951 -63.633 0.423748 -63.1376 86.8433 -10.5986 -4.43265 -11.77 26.5219 TIMING: 2938800 CPU: 8770.27, 0.00301762/step Wall: 8770.27, 0.00301762/step, 1.72775 hours remaining, 207.539062 MB of memory in use. ENERGY: 2938800 736.8017 2031.0571 1925.0001 110.5178 -206626.3660 17975.6191 0.0000 0.0000 34036.6664 -149810.7038 297.2507 -183847.3703 -149712.7113 297.8983 -63.7469 -29.7603 557144.0229 22.6362 22.7567 PRESSURE: 2939000 -48.7458 -204.228 -17.5092 -204.227 -134.978 -48.435 -17.5095 -48.4352 -78.5148 GPRESSURE: 2939000 -16.6861 -205.285 -37.0358 -152.147 -59.5703 -86.3274 80.1534 -19.3218 -53.355 PRESSAVG: 2939000 -4.33085 -39.2712 -16.8107 -39.2712 -24.6337 15.4857 -16.8107 15.4857 40.9481 GPRESSAVG: 2939000 -4.54262 -38.0896 -21.2115 -40.0972 -25.3408 15.0406 -14.119 17.0507 42.4644 TIMING: 2939000 CPU: 8770.87, 0.00299795/step Wall: 8770.87, 0.00299795/step, 1.71633 hours remaining, 207.539062 MB of memory in use. ENERGY: 2939000 769.5877 2125.9175 1897.7982 110.3350 -206356.0484 17839.8694 0.0000 0.0000 33963.2290 -149649.3116 296.6093 -183612.5406 -149552.7032 297.3979 -87.4130 -43.2038 556948.8716 3.9945 4.1937 PRESSURE: 2939200 -50.9835 -22.8068 210.581 -22.8065 -233.481 12.2596 210.581 12.2588 117.899 GPRESSURE: 2939200 -41.0068 -40.3704 166.646 2.74343 -148.489 38.0401 219.131 101.369 104.03 PRESSAVG: 2939200 12.519 5.54047 -5.42117 5.54055 -14.1349 -13.522 -5.42115 -13.522 -2.67933 GPRESSAVG: 2939200 13.3691 5.61506 -2.77738 5.36888 -13.9362 -12.2793 -6.47827 -13.5872 -4.68316 TIMING: 2939200 CPU: 8771.47, 0.00300731/step Wall: 8771.47, 0.00300731/step, 1.72152 hours remaining, 207.539062 MB of memory in use. ENERGY: 2939200 718.9842 2058.1826 1936.1603 107.7684 -206238.4775 17695.6369 0.0000 0.0000 34177.0551 -149544.6901 298.4767 -183721.7452 -149445.8365 297.5589 -55.5219 -28.4884 557152.0028 -1.4318 -1.7501 PRESSURE: 2939400 83.1751 13.3629 -143.002 13.3618 -127.275 -88.3996 -143.002 -88.3999 218.564 GPRESSURE: 2939400 142.352 -26.2523 -31.3436 39.7217 -88.4127 -56.3928 -193.164 -163.253 226.245 PRESSAVG: 2939400 3.17499 9.02578 -27.6985 9.02575 31.4423 32.6156 -27.6985 32.6155 -37.868 GPRESSAVG: 2939400 2.47689 7.69016 -27.7537 9.48348 32.055 34.1744 -26.2278 30.7113 -37.8681 TIMING: 2939400 CPU: 8772.07, 0.00303077/step Wall: 8772.07, 0.00303077/step, 1.73478 hours remaining, 207.539062 MB of memory in use. ENERGY: 2939400 753.0079 2088.7340 1901.3026 107.3878 -206450.0520 18069.9583 0.0000 0.0000 34111.3275 -149418.3338 297.9027 -183529.6613 -149328.3414 298.1644 58.1546 93.3948 556861.4898 -1.0836 -1.1121 PRESSURE: 2939600 -108.819 -41.8491 -27.9017 -41.8512 -78.4466 77.9447 -27.9001 77.9423 -130.722 GPRESSURE: 2939600 -78.4605 -89.2779 -12.6168 -58.5716 -61.4026 75.5912 -37.1929 76.1084 -81.3719 PRESSAVG: 2939600 35.4906 34.8961 -59.2282 34.8961 -64.1721 8.46772 -59.2281 8.46761 24.8291 GPRESSAVG: 2939600 37.285 34.8267 -60.7753 33.5345 -64.7273 3.53652 -60.7635 12.077 23.4263 TIMING: 2939600 CPU: 8772.68, 0.00302266/step Wall: 8772.68, 0.00302266/step, 1.72997 hours remaining, 207.539062 MB of memory in use. ENERGY: 2939600 735.5058 2038.0376 1908.4946 125.9293 -205932.9031 17606.2530 0.0000 0.0000 34079.6078 -149439.0750 297.6257 -183518.6828 -149341.6884 298.5837 -105.9959 -73.7450 558566.8109 -1.2841 -1.3387 PRESSURE: 2939800 37.2067 -106.867 -142.037 -106.866 141.565 -75.1914 -142.036 -75.1919 -212.348 GPRESSURE: 2939800 17.6468 -44.5188 -153.041 -88.4669 139.601 -132.53 -170.756 -75.3191 -94.1783 PRESSAVG: 2939800 -57.5835 -62.0672 -19.8611 -62.0671 -13.2109 -13.7799 -19.861 -13.7799 22.6579 GPRESSAVG: 2939800 -59.7695 -61.065 -20.7769 -60.0346 -14.1352 -13.2602 -18.8948 -14.3497 25.7909 TIMING: 2939800 CPU: 8773.28, 0.0030279/step Wall: 8773.28, 0.0030279/step, 1.7328 hours remaining, 207.539062 MB of memory in use. ENERGY: 2939800 710.8548 2107.5638 1893.1034 116.4647 -206426.0473 17825.8557 0.0000 0.0000 34305.6093 -149466.5956 299.5994 -183772.2049 -149370.7324 298.5093 -11.1920 21.0230 557546.2502 -16.0455 -16.0379 PRESSURE: 2940000 78.1454 -216.248 119.481 -216.248 -211.881 247.553 119.482 247.552 -134.671 GPRESSURE: 2940000 101.146 -178.094 108.608 -159.831 -171.359 278.697 47.0452 250.639 -109.493 PRESSAVG: 2940000 95.1587 2.27867 25.3935 2.27865 -26.9524 21.7414 25.3935 21.7415 -43.4769 GPRESSAVG: 2940000 95.7183 2.77067 27.1295 0.110741 -25.3223 23.4236 25.058 20.276 -45.6898 TIMING: 2940000 CPU: 8773.88, 0.00299171/step Wall: 8773.88, 0.00299171/step, 1.71192 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: 2940000 742.1059 2125.0576 1927.3873 120.1603 -205995.0729 17530.1856 0.0000 0.0000 34168.0862 -149382.0899 298.3984 -183550.1761 -149279.1392 298.8605 -89.4687 -59.9019 556843.1739 8.2431 8.2354 PRESSURE: 2940200 -51.0135 -48.8044 -32.1649 -48.804 62.2049 -66.4302 -32.1662 -66.431 -121.407 GPRESSURE: 2940200 -5.07109 -117.758 26.3042 -41.2905 99.7474 -167.562 -75.6523 -23.1194 -118.275 PRESSAVG: 2940200 -2.98666 -9.69574 23.3272 -9.69565 -12.6031 30.3798 23.3272 30.3798 11.686 GPRESSAVG: 2940200 -3.35944 -10.5255 24.7373 -10.2759 -13.0152 30.4816 22.1384 28.3947 12.037 TIMING: 2940200 CPU: 8774.49, 0.00302705/step Wall: 8774.49, 0.00302705/step, 1.73198 hours remaining, 207.539062 MB of memory in use. ENERGY: 2940200 768.6634 2091.6396 1901.2704 109.8611 -206042.8224 17699.7904 0.0000 0.0000 34162.6444 -149308.9532 298.3509 -183471.5976 -149215.1193 298.6467 -36.7385 -7.8664 557653.5875 -1.3013 -1.4459 LDB: ============= START OF LOAD BALANCING ============== 8777.92 LDB: ============== END OF LOAD BALANCING =============== 8777.92 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8777.92 LDB: ============= START OF LOAD BALANCING ============== 8778.23 LDB: Largest compute 4820 load 0.028813 is 24.4% of average load 0.117923 LDB: Average compute 0.001732 is 1.5% of average load 0.117923 LDB: TIME 8778.23 LOAD: AVG 0.117923 MAX 0.211694 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.836 MB LDB: TIME 8778.23 LOAD: AVG 0.117923 MAX 0.211694 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.84 MB LDB: TIME 8778.23 LOAD: AVG 0.117923 MAX 0.211694 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.84 MB LDB: ============== END OF LOAD BALANCING =============== 8778.23 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8778.24 PRESSURE: 2940400 104.549 85.403 37.3351 85.4033 -59.5718 -71.8253 37.3351 -71.8237 -39.6016 GPRESSURE: 2940400 167.166 124.983 109.255 110.591 -34.6622 -72.7748 49.6242 -60.7953 -32.2704 PRESSAVG: 2940400 -93.9898 60.7105 8.70862 60.7105 68.4244 -15.5854 8.70856 -15.5855 53.6818 GPRESSAVG: 2940400 -92.4334 62.2713 6.94442 62.5329 66.8282 -18.3262 9.61298 -10.7449 53.9506 TIMING: 2940400 CPU: 8775.11, 0.00310386/step Wall: 8775.11, 0.00310386/step, 1.77575 hours remaining, 206.699219 MB of memory in use. ENERGY: 2940400 764.7043 2054.7888 1922.1477 106.1834 -205957.1022 17804.0444 0.0000 0.0000 34189.5809 -149115.6526 298.5861 -183305.2336 -149018.5155 298.6245 1.7918 33.4112 557083.2909 9.3721 9.4485 PRESSURE: 2940600 70.0632 199.514 -45.8064 199.514 93.4044 86.6816 -45.8068 86.6803 -16.2072 GPRESSURE: 2940600 76.7247 170.044 2.19526 195.396 157.33 77.2475 -108.619 0.0187087 9.71738 PRESSAVG: 2940600 54.7423 22.8315 -9.26504 22.8315 -4.84705 50.5751 -9.26504 50.5751 -70.0997 GPRESSAVG: 2940600 53.9692 21.0646 -8.36682 23.397 -5.09239 53.4247 -8.98737 49.4387 -68.6816 TIMING: 2940600 CPU: 8775.72, 0.00305875/step Wall: 8775.72, 0.00305875/step, 1.74978 hours remaining, 206.699219 MB of memory in use. ENERGY: 2940600 765.3977 2058.2075 1926.1457 102.8381 -206098.7592 17995.7264 0.0000 0.0000 34188.6623 -149061.7815 298.5781 -183250.4438 -148968.0730 299.1929 49.0868 81.2572 558876.2660 -6.7348 -6.6016 PRESSURE: 2940800 7.41593 26.4702 -44.9223 26.4698 -89.8543 76.496 -44.9224 76.4948 120 GPRESSURE: 2940800 32.29 67.0256 -65.2415 12.9355 -73.0651 12.1008 -46.4195 92.8011 184.051 PRESSAVG: 2940800 16.9714 85.3554 -30.5069 85.3553 -49.501 -15.8129 -30.507 -15.8129 31.2314 GPRESSAVG: 2940800 16.3636 84.8599 -31.921 84.6647 -48.7632 -15.4235 -29.4555 -17.4271 30.6275 TIMING: 2940800 CPU: 8776.33, 0.00303121/step Wall: 8776.33, 0.00303121/step, 1.73385 hours remaining, 206.699219 MB of memory in use. ENERGY: 2940800 764.1032 2088.1589 1925.2458 129.7827 -205934.0506 17724.5500 0.0000 0.0000 34285.3970 -149016.8131 299.4229 -183302.2101 -148923.0040 299.9379 12.5207 47.7586 557009.5930 -0.4327 -0.5907 PRESSURE: 2941000 107.839 -128.203 13.7666 -128.203 90.2659 -88.7403 13.7672 -88.7406 -130.503 GPRESSURE: 2941000 145.344 -169.5 25.396 -50.4988 153.245 -69.2029 116.434 -143.578 -140.445 PRESSAVG: 2941000 10.3362 10.35 -29.2158 10.3501 -8.23237 30.4869 -29.2158 30.4868 -34.1423 GPRESSAVG: 2941000 9.29883 8.92382 -27.6147 10.4951 -8.23324 31.9037 -29.5467 29.7718 -33.7222 TIMING: 2941000 CPU: 8776.93, 0.00301455/step Wall: 8776.93, 0.00301455/step, 1.72415 hours remaining, 206.699219 MB of memory in use. ENERGY: 2941000 737.5420 2062.0011 1956.7256 122.8778 -206150.9219 18005.6502 0.0000 0.0000 34285.7926 -148980.3326 299.4264 -183266.1252 -148883.2393 300.2519 22.5341 52.7146 558943.5025 -10.6795 -10.8855 PRESSURE: 2941200 176.939 -1.31875 42.2696 -1.31975 -29.9586 -42.4029 42.2696 -42.4035 -141.583 GPRESSURE: 2941200 167.137 -52.2396 -24.3868 25.1685 29.6611 -52.7547 30.6237 -50.4333 -91.7886 PRESSAVG: 2941200 11.9395 31.3134 -1.27479 31.3135 -22.5367 -51.3541 -1.27484 -51.3541 22.5371 GPRESSAVG: 2941200 12.7936 34.3824 -1.18417 31.0789 -22.9602 -53.7765 -2.74826 -48.7026 21.7618 TIMING: 2941200 CPU: 8777.54, 0.00304144/step Wall: 8777.54, 0.00304144/step, 1.73937 hours remaining, 206.699219 MB of memory in use. ENERGY: 2941200 766.1599 2135.4426 1897.8542 123.0614 -206173.0641 17887.7984 0.0000 0.0000 34336.0253 -149026.7223 299.8650 -183362.7476 -148940.9149 300.0868 1.7990 35.0033 559251.8472 3.9800 3.8651 PRESSURE: 2941400 -233.069 122.482 20.3486 122.484 -192.234 142.664 20.3481 142.664 3.37921 GPRESSURE: 2941400 -174.424 62.1839 68.2749 179.886 -178.64 142.767 100.148 93.8887 27.3674 PRESSAVG: 2941400 -19.4841 -59.8675 36.6796 -59.8675 12.2923 23.2657 36.6797 23.2656 -32.2654 GPRESSAVG: 2941400 -19.3405 -60.7821 36.1125 -60.2488 13.4516 22.6937 37.9069 23.0833 -33.5823 TIMING: 2941400 CPU: 8778.15, 0.00306344/step Wall: 8778.15, 0.00306344/step, 1.75178 hours remaining, 206.699219 MB of memory in use. ENERGY: 2941400 728.3444 2112.6375 1927.9448 117.9238 -206161.9143 17758.8972 0.0000 0.0000 34318.4848 -149197.6818 299.7119 -183516.1665 -149100.7613 298.6863 -140.6415 -108.5655 559630.3809 -13.1524 -13.1571 PRESSURE: 2941600 4.78856 63.0553 111.221 63.0552 -59.6555 67.1843 111.221 67.1856 -74.093 GPRESSURE: 2941600 9.52539 125.661 128.405 98.9893 -15.632 62.2015 98.7498 129.172 -27.1392 PRESSAVG: 2941600 -29.7945 20.4702 -3.23092 20.4703 27.8104 31.0267 -3.23094 31.0267 37.3106 GPRESSAVG: 2941600 -29.1791 19.4362 -2.69667 21.8049 26.2506 29.5255 -4.23085 31.9599 38.1342 TIMING: 2941600 CPU: 8778.76, 0.00306435/step Wall: 8778.76, 0.00306435/step, 1.75213 hours remaining, 206.699219 MB of memory in use. ENERGY: 2941600 755.1381 2086.6911 1910.8934 114.8649 -206338.9030 17919.8904 0.0000 0.0000 34301.6921 -149249.7330 299.5652 -183551.4251 -149148.9742 299.1053 -42.9866 -11.0820 558414.2925 11.7755 11.7353 PRESSURE: 2941800 -46.1091 37.9383 19.9736 37.938 37.649 -5.64826 19.9738 -5.64581 -107.676 GPRESSURE: 2941800 -11.6286 35.6032 91.5359 80.0178 44.9806 -1.67738 -27.9089 -80.7039 -66.3667 PRESSAVG: 2941800 -48.9282 38.636 1.93594 38.6362 -16.326 5.53428 1.9359 5.53419 95.8972 GPRESSAVG: 2941800 -49.5813 36.5816 3.05494 37.757 -16.6013 8.40576 3.23845 2.69023 96.2199 TIMING: 2941800 CPU: 8779.37, 0.0030328/step Wall: 8779.37, 0.0030328/step, 1.73392 hours remaining, 206.699219 MB of memory in use. ENERGY: 2941800 733.3945 2141.1060 1942.4277 114.5773 -206387.6758 17916.6303 0.0000 0.0000 34206.3884 -149333.1517 298.7329 -183539.5401 -149232.2145 299.6394 -38.7119 -11.0049 559165.9516 10.2143 10.0124 PRESSURE: 2942000 242.747 1.73181 -20.8081 1.73033 -130.508 54.7386 -20.8078 54.738 -183.958 GPRESSURE: 2942000 245.462 98.5215 -26.5496 -62.6231 -60.3498 -11.2427 -7.39169 98.0639 -176.747 PRESSAVG: 2942000 -24.1004 -22.4563 33.2618 -22.4562 -1.56399 -16.8323 33.2618 -16.8323 46.9065 GPRESSAVG: 2942000 -24.6614 -20.9002 31.4365 -22.0975 -0.822186 -18.1424 33.49 -15.6092 46.8732 TIMING: 2942000 CPU: 8779.98, 0.0030651/step Wall: 8779.98, 0.0030651/step, 1.75221 hours remaining, 206.699219 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: 2942000 765.3668 2128.4390 1945.5984 117.8107 -206187.5574 17879.7625 0.0000 0.0000 34141.0520 -149209.5281 298.1623 -183350.5801 -149115.7004 298.8838 -23.9064 2.7886 558232.2673 7.0807 7.1299 PRESSURE: 2942200 62.6288 -87.4616 -100.445 -87.4613 206.614 27.1326 -100.444 27.1322 -185.442 GPRESSURE: 2942200 105.769 -56.8235 -85.1166 -38.3697 243.084 38.9655 -119.007 46.6656 -162.758 PRESSAVG: 2942200 -7.8027 -44.5094 6.15535 -44.5095 4.81421 14.7262 6.15534 14.7263 -25.6832 GPRESSAVG: 2942200 -6.77094 -42.2885 8.40683 -46.2723 4.47841 15.9129 3.8632 13.9123 -25.7863 TIMING: 2942200 CPU: 8780.59, 0.00305908/step Wall: 8780.59, 0.00305908/step, 1.7486 hours remaining, 206.699219 MB of memory in use. ENERGY: 2942200 709.5088 2151.2364 1940.5241 112.8572 -206226.9979 17842.6116 0.0000 0.0000 34317.8045 -149152.4553 299.7059 -183470.2597 -149048.0977 299.4520 27.9334 62.0318 558550.4546 -9.5572 -9.3596 PRESSURE: 2942400 -291.375 -68.628 59.5655 -68.6294 156.669 -87.7383 59.5646 -87.7388 99.5839 GPRESSURE: 2942400 -240.393 -116.7 135.241 -54.9721 126.882 16.5905 10.0521 -145.87 182.909 PRESSAVG: 2942400 20.8247 -4.37182 -9.21294 -4.37174 19.0333 36.6758 -9.21293 36.6758 -11.9075 GPRESSAVG: 2942400 21.2483 -4.97555 -9.70157 -2.77079 19.3522 36.6031 -8.16871 36.2293 -12.4096 TIMING: 2942400 CPU: 8781.2, 0.00304292/step Wall: 8781.2, 0.00304292/step, 1.7392 hours remaining, 206.699219 MB of memory in use. ENERGY: 2942400 750.7977 2100.3108 1925.1217 127.9253 -206091.6719 17757.2379 0.0000 0.0000 34178.9306 -149251.3478 298.4931 -183430.2785 -149158.9939 299.4521 -11.7076 23.1329 557760.1665 9.3168 9.3970 PRESSURE: 2942600 -50.1939 -181.123 108.093 -181.124 123.136 176.786 108.093 176.787 -14.229 GPRESSURE: 2942600 10.285 -181.725 110.573 -162.702 70.7159 140.829 81.7787 112.56 70.4381 PRESSAVG: 2942600 18.8882 45.3377 24.5133 45.3378 29.8467 46.7107 24.5132 46.7106 -72.4221 GPRESSAVG: 2942600 17.7941 46.3745 24.6269 44.9305 29.1479 47.6257 23.1592 47.3497 -71.4738 TIMING: 2942600 CPU: 8781.81, 0.00304086/step Wall: 8781.81, 0.00304086/step, 1.73785 hours remaining, 206.699219 MB of memory in use. ENERGY: 2942600 743.5926 2146.4603 1951.5929 115.9257 -206332.6033 17921.6101 0.0000 0.0000 34204.8424 -149248.5794 298.7194 -183453.4218 -149156.1531 299.0656 19.5709 50.4797 557165.9752 -7.8958 -8.1773 PRESSURE: 2942800 53.0229 98.3893 136.316 98.3912 -143.946 89.7366 136.315 89.7369 -224.924 GPRESSURE: 2942800 11.4988 87.0226 20.8251 106.03 -103.448 112.935 137.032 36.8816 -124.857 PRESSAVG: 2942800 47.7163 8.90048 51.8288 8.90047 -29.5275 35.7147 51.8287 35.7147 -30.7975 GPRESSAVG: 2942800 48.0176 4.74954 49.9135 8.76181 -28.129 36.4123 53.2001 34.767 -32.0608 TIMING: 2942800 CPU: 8782.42, 0.00303017/step Wall: 8782.42, 0.00303017/step, 1.73158 hours remaining, 206.699219 MB of memory in use. ENERGY: 2942800 743.2605 2079.6501 1905.7053 113.3916 -206159.9243 17660.3794 0.0000 0.0000 34333.5442 -149323.9931 299.8434 -183657.5373 -149235.8253 299.4286 -105.2823 -72.2687 555832.7398 -4.2029 -4.0574 PRESSURE: 2943000 -150.598 -185.752 -60.5617 -185.752 -62.084 68.7553 -60.5603 68.7561 -40.9819 GPRESSURE: 2943000 -152.721 -114.458 48.7251 -214.271 -19.9723 98.8002 -61.8333 66.6577 27.7747 PRESSAVG: 2943000 -55.6118 -14.6498 31.8278 -14.6498 -7.4166 23.6405 31.8278 23.6405 82.9407 GPRESSAVG: 2943000 -56.296 -13.0529 34.3166 -14.9076 -7.29144 22.7522 31.7133 24.8412 83.3377 TIMING: 2943000 CPU: 8783.02, 0.00299591/step Wall: 8783.02, 0.00299591/step, 1.71183 hours remaining, 206.699219 MB of memory in use. ENERGY: 2943000 755.3756 2128.6208 1937.9200 123.1777 -206160.8678 17574.3077 0.0000 0.0000 34372.6646 -149268.8013 300.1850 -183641.4660 -149169.9208 299.4323 -84.5546 -48.3061 555243.9575 6.6374 6.5834 PRESSURE: 2943200 34.1094 158.993 144.115 158.994 12.0148 -204.074 144.116 -204.072 43.4944 GPRESSURE: 2943200 78.4389 116.445 150.482 233.333 0.691665 -215.075 121.603 -183.629 99.8475 PRESSAVG: 2943200 -83.6675 8.19926 4.00695 8.19924 4.16504 -39.6322 4.00696 -39.6323 43.5787 GPRESSAVG: 2943200 -82.0589 8.71733 4.50896 7.82203 2.88213 -37.8899 3.72376 -40.3013 42.6778 TIMING: 2943200 CPU: 8783.62, 0.00304322/step Wall: 8783.62, 0.00304322/step, 1.73869 hours remaining, 206.699219 MB of memory in use. ENERGY: 2943200 763.9183 2137.5576 1948.7044 107.7083 -206330.0960 17912.7942 0.0000 0.0000 34056.3414 -149403.0719 297.4225 -183459.4133 -149298.9250 298.8820 29.8729 59.6593 556481.1608 -11.9746 -12.1663 PRESSURE: 2943400 419.454 -31.3349 -42.0228 -31.3349 67.8253 -153.247 -42.0218 -153.246 134.008 GPRESSURE: 2943400 418.206 -37.384 -112.541 -117.599 131.957 -179.814 48.5804 -118.827 164.628 PRESSAVG: 2943400 -10.2641 -19.9908 4.92096 -19.9909 10.0461 -90.0721 4.92096 -90.072 21.4569 GPRESSAVG: 2943400 -12.6304 -21.8216 3.6224 -17.235 11.7534 -91.2674 6.3393 -89.2529 22.1275 TIMING: 2943400 CPU: 8784.23, 0.00302449/step Wall: 8784.23, 0.00302449/step, 1.72782 hours remaining, 206.699219 MB of memory in use. ENERGY: 2943400 741.5390 2136.0682 1951.5636 105.8562 -206769.2357 18172.0506 0.0000 0.0000 34403.0485 -149259.1097 300.4504 -183662.1582 -149169.8729 299.1292 207.0958 238.2635 555236.1706 7.0796 7.0835 PRESSURE: 2943600 94.5836 40.2333 -68.7254 40.234 59.5212 -44.3018 -68.7267 -44.2999 -124.983 GPRESSURE: 2943600 110.559 -64.921 -3.18101 73.9358 93.7228 -29.7861 -120.682 -43.3048 -92.5213 PRESSAVG: 2943600 94.6158 -33.4203 -6.14296 -33.4203 -8.84456 5.42255 -6.14305 5.42263 -58.7974 GPRESSAVG: 2943600 94.6437 -31.8491 -5.62258 -37.0351 -9.1338 4.52116 -6.11942 4.92162 -58.7913 TIMING: 2943600 CPU: 8784.84, 0.00303372/step Wall: 8784.84, 0.00303372/step, 1.73293 hours remaining, 206.699219 MB of memory in use. ENERGY: 2943600 774.5229 2138.0000 1960.6152 118.5860 -206588.9330 18000.5994 0.0000 0.0000 34321.9533 -149274.6561 299.7422 -183596.6094 -149177.1874 299.6362 9.7073 37.2534 557424.4593 8.9913 8.9062 PRESSURE: 2943800 243.895 75.8818 -128.933 75.882 -163.187 -54.5492 -128.93 -54.5492 -296.181 GPRESSURE: 2943800 254.454 54.3339 -156.781 163.324 -157.304 -61.0433 -145.485 7.01255 -223.063 PRESSAVG: 2943800 39.2752 7.79083 -43.3128 7.79078 -32.0174 -0.333418 -43.3127 -0.333401 5.65846 GPRESSAVG: 2943800 39.5468 7.24573 -45.9889 11.2251 -32.0007 -0.845105 -44.0078 0.181499 5.33746 TIMING: 2943800 CPU: 8785.44, 0.00303993/step Wall: 8785.44, 0.00303993/step, 1.73631 hours remaining, 206.699219 MB of memory in use. ENERGY: 2943800 757.4049 2108.2274 1952.8810 102.3399 -205967.3817 17673.8962 0.0000 0.0000 34155.7614 -149216.8709 298.2908 -183372.6323 -149122.8765 298.8904 -71.8241 -41.9709 557729.0717 4.3054 4.2945 PRESSURE: 2944000 -105.486 29.5949 68.9669 29.5938 -221.574 68.6803 68.968 68.6801 -130.962 GPRESSURE: 2944000 -68.1889 -18.1331 94.1927 13.6902 -196.375 -10.1402 65.5929 85.4537 -96.1853 PRESSAVG: 2944000 -18.6987 36.2076 -6.2966 36.2076 25.4244 35.2123 -6.29665 35.2124 0.553256 GPRESSAVG: 2944000 -17.7462 35.3697 -3.9474 35.7027 24.9526 33.8311 -6.59317 34.9609 -0.165289 TIMING: 2944000 CPU: 8786.05, 0.00301838/step Wall: 8786.05, 0.00301838/step, 1.72383 hours remaining, 206.699219 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: 2944000 746.2130 2127.1704 1966.5727 122.2889 -206138.6788 17684.7925 0.0000 0.0000 34292.6927 -149198.9486 299.4866 -183491.6413 -149090.9936 299.5021 -152.6739 -120.2497 558561.8995 2.4263 2.3470 PRESSURE: 2944200 23.1346 35.8015 1.62264 35.8001 -50.7913 -57.7092 1.62234 -57.7107 48.0088 GPRESSURE: 2944200 111.564 90.5859 84.1679 -8.01965 -45.0741 -72.3676 -41.7166 -99.3394 57.2547 PRESSAVG: 2944200 -22.4111 52.2331 31.135 52.2331 25.7263 13.2159 31.1349 13.216 8.87196 GPRESSAVG: 2944200 -24.133 52.5344 31.2752 49.4142 25.3386 14.4809 30.7153 14.7402 11.1802 TIMING: 2944200 CPU: 8786.65, 0.00303418/step Wall: 8786.65, 0.00303418/step, 1.73269 hours remaining, 206.699219 MB of memory in use. ENERGY: 2944200 763.0171 2117.7162 1968.4575 115.0513 -206228.7435 17839.9275 0.0000 0.0000 34139.3994 -149285.1745 298.1479 -183424.5739 -149182.8968 298.7191 6.7840 41.2480 557937.4108 4.0624 4.1286 LDB: ============= START OF LOAD BALANCING ============== 8790.08 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8790.08 LDB: =============== DONE WITH MIGRATION ================ 8790.09 LDB: ============= START OF LOAD BALANCING ============== 8790.39 LDB: Largest compute 4819 load 0.029985 is 25.4% of average load 0.117963 LDB: Average compute 0.001736 is 1.5% of average load 0.117963 LDB: TIME 8790.39 LOAD: AVG 0.117963 MAX 0.207647 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.992 MB LDB: TIME 8790.39 LOAD: AVG 0.117963 MAX 0.207647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.992 MB LDB: TIME 8790.39 LOAD: AVG 0.117963 MAX 0.207647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8790.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8790.4 PRESSURE: 2944400 -162.703 -33.0596 -143.695 -33.0601 -172.97 95.5084 -143.696 95.5086 86.3521 GPRESSURE: 2944400 -162.616 -41.4158 -163.332 -14.5435 -101.432 62.7431 -94.8008 14.3371 127.168 PRESSAVG: 2944400 32.0156 49.9733 15.7583 49.9733 17.0376 -19.6169 15.7583 -19.6169 6.6843 GPRESSAVG: 2944400 32.7751 51.5707 15.835 51.8554 17.4601 -19.6879 16.6471 -20.3389 5.28485 TIMING: 2944400 CPU: 8787.27, 0.00306255/step Wall: 8787.27, 0.00306255/step, 1.74872 hours remaining, 206.433594 MB of memory in use. ENERGY: 2944400 747.0776 2123.8818 1966.8546 123.1278 -206407.3601 17733.5741 0.0000 0.0000 34339.6828 -149373.1614 299.8970 -183712.8442 -149269.7609 298.9488 -83.1071 -45.6268 557022.9517 18.5792 18.5067 PRESSURE: 2944600 -23.089 20.6419 -73.3526 20.6429 -171.134 26.6771 -73.3527 26.6766 -102.889 GPRESSURE: 2944600 -34.8284 45.3372 -68.8071 -25.2382 -93.6617 37.6433 1.60136 49.882 -69.4775 PRESSAVG: 2944600 -24.1155 -13.6443 17.7277 -13.6443 50.718 -25.8809 17.7277 -25.8809 -26.33 GPRESSAVG: 2944600 -23.7754 -14.1563 18.7481 -14.442 49.7337 -25.9919 15.5599 -26.0289 -25.5122 TIMING: 2944600 CPU: 8787.87, 0.00301108/step Wall: 8787.87, 0.00301108/step, 1.71916 hours remaining, 206.433594 MB of memory in use. ENERGY: 2944600 772.5892 2155.2203 1957.7674 106.3874 -206245.3241 17648.7425 0.0000 0.0000 34373.3003 -149231.3171 300.1906 -183604.6174 -149126.5764 298.9355 -99.0375 -65.9892 557344.5208 0.0908 0.1487 PRESSURE: 2944800 246.708 56.7971 -29.3067 56.7989 12.7693 28.3469 -29.3066 28.3475 226.264 GPRESSURE: 2944800 291.282 31.3082 -33.5307 38.762 36.8569 40.6648 -29.4903 7.95667 258.017 PRESSAVG: 2944800 16.6532 -9.85224 43.0688 -9.8523 -5.77702 -12.2973 43.0687 -12.2973 2.92548 GPRESSAVG: 2944800 16.1174 -10.4789 40.1634 -9.05672 -4.80461 -10.227 45.3316 -12.2454 2.55535 TIMING: 2944800 CPU: 8788.47, 0.00300157/step Wall: 8788.47, 0.00300157/step, 1.71356 hours remaining, 206.433594 MB of memory in use. ENERGY: 2944800 704.9337 2110.1497 1939.4365 110.4053 -206043.7123 17864.5976 0.0000 0.0000 34198.3869 -149115.8025 298.6630 -183314.1895 -149022.0839 299.2870 161.9138 195.3852 557111.5833 4.6006 4.6227 PRESSURE: 2945000 186.433 85.848 104.653 85.8455 -23.2168 47.4901 104.652 47.4902 -148.065 GPRESSURE: 2945000 221.228 146.069 79.6754 37.9094 -39.4206 79.114 122.849 -40.438 -75.91 PRESSAVG: 2945000 51.7857 36.429 21.5536 36.4289 -19.6404 9.90668 21.5536 9.90685 -41.7805 GPRESSAVG: 2945000 51.415 38.4334 23.5736 34.3291 -19.8731 9.19911 20.5968 11.0669 -41.6689 TIMING: 2945000 CPU: 8789.08, 0.00305996/step Wall: 8789.08, 0.00305996/step, 1.74673 hours remaining, 206.433594 MB of memory in use. ENERGY: 2945000 758.0707 2121.2494 1965.8764 98.7766 -206149.4270 17816.8397 0.0000 0.0000 34199.4094 -149189.2048 298.6719 -183388.6142 -149091.7940 299.3361 5.0503 35.2992 557812.1788 -3.2117 -3.3757 PRESSURE: 2945200 -144.552 -0.413188 -36.7845 -0.412912 -40.6549 111.324 -36.7855 111.323 -244.444 GPRESSURE: 2945200 -108.753 66.2866 -1.25164 -65.1762 -42.4065 58.2889 -43.8922 117.096 -169.446 PRESSAVG: 2945200 4.76929 -19.0818 64.6935 -19.0817 -37.2999 38.4405 64.6936 38.4406 -21.2595 GPRESSAVG: 2945200 5.54345 -21.481 62.8325 -17.2185 -38.2584 38.4789 65.9219 35.6128 -20.3066 TIMING: 2945200 CPU: 8789.69, 0.00303213/step Wall: 8789.69, 0.00303213/step, 1.73067 hours remaining, 206.433594 MB of memory in use. ENERGY: 2945200 753.3891 2109.8406 1949.9687 106.9436 -206054.7682 17692.1111 0.0000 0.0000 34287.8150 -149154.7001 299.4440 -183442.5151 -149062.2228 299.5420 -143.2169 -106.8685 556769.8191 -17.9300 -17.6738 PRESSURE: 2945400 -36.3112 30.2475 33.529 30.2452 4.4835 59.5468 33.529 59.5449 -284.84 GPRESSURE: 2945400 -26.1766 55.8326 71.1677 19.9503 86.7609 71.5705 -13.9884 -42.6877 -273.352 PRESSAVG: 2945400 -20.3597 -36.596 25.2351 -36.596 17.7967 36.7208 25.235 36.7207 -41.0418 GPRESSAVG: 2945400 -20.773 -34.3309 25.9157 -37.0504 19.0241 35.5707 23.8244 36.3958 -41.1026 TIMING: 2945400 CPU: 8790.3, 0.0030393/step Wall: 8790.3, 0.0030393/step, 1.73459 hours remaining, 206.433594 MB of memory in use. ENERGY: 2945400 755.5876 2079.8447 1944.8992 108.3304 -205752.4679 17429.6842 0.0000 0.0000 34211.9442 -149222.1777 298.7814 -183434.1218 -149121.1606 299.4540 -105.5560 -70.9225 556556.9474 -14.5350 -14.2838 PRESSURE: 2945600 141.849 42.1196 12.9936 42.1195 -74.3612 113.037 12.9947 113.037 52.4819 GPRESSURE: 2945600 189.409 108.724 22.2424 60.0348 -69.7721 88.3516 -51.1147 91.6295 110.479 PRESSAVG: 2945600 -41.1387 3.02944 16.5827 3.0294 4.16981 29.4097 16.5828 29.4096 54.3097 GPRESSAVG: 2945600 -40.8632 0.821998 17.7099 3.5221 4.36394 30.0523 16.4994 28.8502 54.377 TIMING: 2945600 CPU: 8790.9, 0.00303607/step Wall: 8790.9, 0.00303607/step, 1.73258 hours remaining, 206.433594 MB of memory in use. ENERGY: 2945600 766.5644 2121.6353 1936.8915 99.1248 -206429.6754 17958.3788 0.0000 0.0000 34397.7118 -149149.3687 300.4038 -183547.0805 -149055.9498 299.2072 39.9899 76.7051 556420.7288 5.7803 5.9592 PRESSURE: 2945800 -66.0912 125.926 35.4233 125.926 118.048 -62.9229 35.4236 -62.9229 -53.1545 GPRESSURE: 2945800 -55.5728 95.7403 109.06 85.9016 116.072 -71.9662 52.7098 -56.9451 44.6692 PRESSAVG: 2945800 -7.01607 19.2932 -37.7759 19.2933 3.14435 -31.4426 -37.7759 -31.4426 -30.4911 GPRESSAVG: 2945800 -6.64555 20.769 -39.1667 18.8546 2.64216 -34.0591 -38.5367 -29.0799 -30.5749 TIMING: 2945800 CPU: 8791.5, 0.00300911/step Wall: 8791.5, 0.00300911/step, 1.71703 hours remaining, 206.433594 MB of memory in use. ENERGY: 2945800 745.1254 2142.3263 1925.1023 111.9886 -205913.4533 17633.8829 0.0000 0.0000 34365.8924 -148989.1355 300.1259 -183355.0278 -148896.1029 299.6510 -0.3991 35.0560 557370.8356 -11.4543 -11.5261 PRESSURE: 2946000 -283.355 -38.3117 45.3474 -38.3124 -209.221 -3.52028 45.3482 -3.51991 -314.731 GPRESSURE: 2946000 -218.399 60.4649 15.0395 -33.5998 -197.322 -40.2648 -15.3051 -3.64426 -306.916 PRESSAVG: 2946000 47.7562 23.6132 -50.0179 23.6133 -9.3687 7.49581 -50.018 7.49577 -33.0778 GPRESSAVG: 2946000 47.048 21.8531 -51.6945 22.927 -8.67178 9.24024 -47.6859 4.79004 -33.2654 TIMING: 2946000 CPU: 8792.11, 0.00301219/step Wall: 8792.11, 0.00301219/step, 1.71862 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: 2946000 757.1768 2098.1461 1934.0590 108.3301 -205531.2520 17284.9006 0.0000 0.0000 34300.4675 -149048.1719 299.5545 -183348.6393 -148952.1702 300.2692 -269.1023 -240.8790 557103.7155 1.7699 1.7036 PRESSURE: 2946200 112.866 -78.8355 66.4142 -78.8358 425.035 89.8769 66.4147 89.8774 157.11 GPRESSURE: 2946200 180.117 -135.489 15.0881 -72.6881 479.307 92.6054 110.443 129.387 129.348 PRESSAVG: 2946200 0.714106 15.0858 48.9112 15.0859 24.4287 23.2167 48.9113 23.2167 -20.3445 GPRESSAVG: 2946200 1.73836 17.0184 49.3914 15.6004 25.3592 24.3951 47.9305 26.468 -22.5196 TIMING: 2946200 CPU: 8792.71, 0.00303619/step Wall: 8792.71, 0.00303619/step, 1.73215 hours remaining, 206.488281 MB of memory in use. ENERGY: 2946200 722.5513 2061.8201 1949.3759 106.0510 -206512.2117 18069.2321 0.0000 0.0000 34459.8766 -149143.3045 300.9467 -183603.1812 -149044.8734 299.2547 231.6706 262.9239 555884.9958 1.5994 1.5260 PRESSURE: 2946400 -39.3154 53.5818 17.4229 53.5821 72.4991 34.2824 17.4228 34.2831 98.3659 GPRESSURE: 2946400 6.58555 48.0569 56.1639 34.5469 129.632 22.6888 -71.4981 15.3093 104.282 PRESSAVG: 2946400 -55.0926 -10.704 -0.15595 -10.7039 96.035 -49.5634 -0.15589 -49.5635 -16.8299 GPRESSAVG: 2946400 -55.4105 -13.5525 0.608991 -7.83235 94.8737 -50.8127 -1.96947 -48.7862 -15.5118 TIMING: 2946400 CPU: 8793.32, 0.00304284/step Wall: 8793.32, 0.00304284/step, 1.73577 hours remaining, 206.488281 MB of memory in use. ENERGY: 2946400 792.3959 2047.4495 1935.2372 111.9265 -206068.9000 17833.6018 0.0000 0.0000 34239.3978 -149108.8912 299.0212 -183348.2890 -149012.9031 299.4953 43.8499 80.1663 558306.7590 8.0375 7.9838 PRESSURE: 2946600 -323.86 116.394 -102.531 116.394 -95.2472 21.5735 -102.531 21.5724 64.272 GPRESSURE: 2946600 -302.113 143.868 -56.7353 14.4568 -52.4592 -38.6338 -83.5042 -16.1745 97.7806 PRESSAVG: 2946600 -56.3551 -22.3258 -71.4706 -22.3259 41.5496 -27.9328 -71.4706 -27.9328 3.36236 GPRESSAVG: 2946600 -57.4961 -21.8652 -71.0943 -24.4941 41.6819 -28.318 -69.7602 -27.8667 3.75549 TIMING: 2946600 CPU: 8793.93, 0.00304934/step Wall: 8793.93, 0.00304934/step, 1.73931 hours remaining, 206.488281 MB of memory in use. ENERGY: 2946600 784.8834 2155.0800 1943.9316 109.9730 -206286.2164 17708.3312 0.0000 0.0000 34407.8168 -149176.2005 300.4920 -183584.0172 -149089.5704 299.3482 -118.2784 -85.5971 557138.7520 -3.8144 -4.0196 PRESSURE: 2946800 -163.239 103.587 110.649 103.586 18.2054 177.817 110.649 177.818 -34.3393 GPRESSURE: 2946800 -148.247 149.487 7.38053 30.0836 16.5276 115.379 87.3553 159.938 56.3574 PRESSAVG: 2946800 -58.3969 36.7716 -36.9622 36.7716 62.4968 0.740608 -36.9622 0.740654 32.9386 GPRESSAVG: 2946800 -57.7875 38.7707 -36.0481 35.4841 62.8927 0.584805 -38.4983 0.127785 32.1436 TIMING: 2946800 CPU: 8794.54, 0.00305149/step Wall: 8794.54, 0.00305149/step, 1.74037 hours remaining, 206.488281 MB of memory in use. ENERGY: 2946800 777.1118 2099.4806 1960.5209 114.6921 -206585.2693 17834.9938 0.0000 0.0000 34461.7583 -149336.7117 300.9631 -183798.4700 -149239.9642 299.7690 -59.7910 -25.1206 557381.8843 12.3462 12.4163 PRESSURE: 2947000 -107.095 -9.0563 -144.266 -9.05729 -128.57 17.821 -144.266 17.8214 130.357 GPRESSURE: 2947000 -90.2354 49.708 -77.594 -101.51 -27.2921 -11.6345 -70.5016 29.912 101.602 PRESSAVG: 2947000 -50.3606 -28.821 8.60263 -28.8211 22.7291 21.2376 8.60268 21.2376 11.2498 GPRESSAVG: 2947000 -50.0889 -30.3489 7.89426 -26.9926 21.8907 20.8526 8.59333 21.004 11.8302 TIMING: 2947000 CPU: 8795.15, 0.00303454/step Wall: 8795.15, 0.00303454/step, 1.73053 hours remaining, 206.488281 MB of memory in use. ENERGY: 2947000 734.3341 2089.1956 1946.0336 106.0072 -206418.2534 17882.1997 0.0000 0.0000 34260.7538 -149399.7294 299.2077 -183660.4832 -149308.5600 299.8046 -35.1027 -5.3087 557655.9485 -5.4606 -5.4560 PRESSURE: 2947200 -230.823 62.2146 -13.9975 62.2145 287.597 39.266 -13.9976 39.2659 -192.08 GPRESSURE: 2947200 -248.779 86.2627 38.0987 -10.5256 350.713 121.995 53.3113 34.0153 -138.934 PRESSAVG: 2947200 -67.5879 -56.6965 -43.6057 -56.6963 66.2171 27.4269 -43.6057 27.4271 -10.5712 GPRESSAVG: 2947200 -68.6403 -55.7114 -45.9645 -58.6434 66.6009 28.2802 -42.015 26.9346 -10.236 TIMING: 2947200 CPU: 8795.76, 0.00305329/step Wall: 8795.76, 0.00305329/step, 1.74105 hours remaining, 206.488281 MB of memory in use. ENERGY: 2947200 747.9259 2111.0672 1951.9813 119.7140 -206069.8719 17716.0879 0.0000 0.0000 33983.1599 -149439.9357 296.7834 -183423.0956 -149347.5802 298.7709 -45.1020 -12.3333 557359.4383 -3.9807 -4.0918 PRESSURE: 2947400 -253.329 180.212 -30.0122 180.212 -3.82126 -105.419 -30.0129 -105.419 -128.953 GPRESSURE: 2947400 -261.656 161.148 -41.9391 196.785 38.2434 -46.9957 -40.9184 -145.465 -68.1821 PRESSAVG: 2947400 -70.891 23.4475 39.1413 23.4475 37.8218 -39.8754 39.1413 -39.8754 42.9281 GPRESSAVG: 2947400 -70.5574 23.62 39.4994 25.5492 38.2519 -40.208 39.5082 -39.9012 42.6379 TIMING: 2947400 CPU: 8796.37, 0.00303494/step Wall: 8796.37, 0.00303494/step, 1.73042 hours remaining, 206.488281 MB of memory in use. ENERGY: 2947400 757.9428 2114.1245 1937.8974 101.1541 -206059.2657 17615.9995 0.0000 0.0000 34000.0217 -149532.1257 296.9306 -183532.1474 -149439.8972 298.7428 -128.7013 -97.1982 557329.7795 3.2863 3.4441 PRESSURE: 2947600 242.097 -3.01031 216.62 -3.00952 262.953 60.4127 216.62 60.4117 -21.6342 GPRESSURE: 2947600 269.214 -6.33293 140.711 -63.1582 266.653 91.7395 210.765 112.317 44.6976 PRESSAVG: 2947600 -71.9612 13.9724 22.9214 13.9724 41.2392 -24.0237 22.9215 -24.0236 20.7551 GPRESSAVG: 2947600 -71.1368 13.3083 24.7854 12.8746 40.4147 -24.9636 19.8364 -23.3664 20.9536 TIMING: 2947600 CPU: 8796.97, 0.00302769/step Wall: 8796.97, 0.00302769/step, 1.72612 hours remaining, 206.488281 MB of memory in use. ENERGY: 2947600 734.4424 2100.5040 1940.1520 109.7636 -206595.9296 17984.5973 0.0000 0.0000 34168.3316 -149558.1388 298.4005 -183726.4704 -149467.8000 297.4829 161.1386 193.5214 555596.7286 -3.3223 -3.2562 PRESSURE: 2947800 -112.968 -181.975 6.50549 -181.975 -241.979 -14.8202 6.50437 -14.8193 22.6505 GPRESSURE: 2947800 -28.3714 -85.7427 -34.3586 -311.822 -311.366 -61.0933 -22.059 -8.99309 100.741 PRESSAVG: 2947800 -20.5737 -17.7021 41.2962 -17.7021 51.235 18.0121 41.2961 18.0123 -10.1342 GPRESSAVG: 2947800 -21.6123 -16.457 39.2634 -17.2919 51.4812 18.7981 43.2733 19.0402 -9.25052 TIMING: 2947800 CPU: 8797.58, 0.00302428/step Wall: 8797.58, 0.00302428/step, 1.72401 hours remaining, 206.488281 MB of memory in use. ENERGY: 2947800 746.4712 2058.8662 1966.6939 116.0235 -206406.7099 17701.7644 0.0000 0.0000 34180.2709 -149636.6198 298.5048 -183816.8907 -149532.4549 297.9626 -110.7654 -79.6655 556093.3490 6.8424 6.8728 PRESSURE: 2948000 83.0593 -112.996 154.148 -112.998 -398.334 -50.1021 154.147 -50.1044 -92.5155 GPRESSURE: 2948000 102.761 -58.2901 80.4368 -99.0465 -346.9 -159.981 134.773 -76.4833 -66.2092 PRESSAVG: 2948000 35.8818 48.8227 9.51446 48.8227 6.63579 49.0481 9.51436 49.0481 -59.9723 GPRESSAVG: 2948000 36.1954 46.9998 9.23392 49.0579 6.58965 49.2145 8.66206 47.0902 -60.7024 TIMING: 2948000 CPU: 8798.19, 0.0030364/step Wall: 8798.19, 0.0030364/step, 1.73075 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: 2948000 765.4477 2157.0783 1919.9797 112.2127 -206499.1515 17634.5991 0.0000 0.0000 34292.8211 -149617.0128 299.4877 -183909.8339 -149519.3345 298.8108 -135.9300 -103.4496 555319.5767 -5.8182 -5.9724 PRESSURE: 2948200 365.826 69.0385 8.68188 69.037 152.071 -19.1816 8.68136 -19.1827 -13.3381 GPRESSURE: 2948200 396.704 56.1073 39.9503 108.863 168.44 -40.7347 -23.2471 -20.5647 26.6946 PRESSAVG: 2948200 17.1847 6.64829 51.781 6.64825 -11.818 43.9546 51.781 43.9546 -5.64208 GPRESSAVG: 2948200 17.2572 6.31118 52.6331 6.49872 -12.1109 42.75 53.8237 45.0441 -5.76109 TIMING: 2948200 CPU: 8798.79, 0.00304064/step Wall: 8798.79, 0.00304064/step, 1.733 hours remaining, 206.488281 MB of memory in use. ENERGY: 2948200 748.9887 2091.8263 1932.2031 114.1296 -206775.7490 18034.0366 0.0000 0.0000 34340.5275 -149514.0371 299.9044 -183854.5647 -149417.3269 298.4468 168.1862 197.2794 554599.0938 -0.0918 -0.2049 LDB: ============= START OF LOAD BALANCING ============== 8802.23 LDB: ============== END OF LOAD BALANCING =============== 8802.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8802.23 LDB: ============= START OF LOAD BALANCING ============== 8802.53 LDB: Largest compute 4819 load 0.029937 is 25.4% of average load 0.117984 LDB: Average compute 0.001742 is 1.5% of average load 0.117984 LDB: TIME 8802.54 LOAD: AVG 0.117984 MAX 0.211288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.488 MB LDB: TIME 8802.54 LOAD: AVG 0.117984 MAX 0.211288 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.551 MB LDB: TIME 8802.54 LOAD: AVG 0.117984 MAX 0.211288 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.551 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8802.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8802.54 PRESSURE: 2948400 -123.205 -0.119117 -75.5521 -0.118935 -44.6698 -47.9565 -75.5526 -47.9549 3.16453 GPRESSURE: 2948400 -89.7846 17.7865 -16.6947 -2.28148 -14.4752 -112.329 -91.8593 -84.2203 30.8669 PRESSAVG: 2948400 19.0135 24.0235 32.1513 24.0234 7.25259 2.47546 32.1513 2.47542 18.177 GPRESSAVG: 2948400 19.2898 26.5456 31.9748 22.2245 7.20195 3.20366 33.3216 2.1512 17.8582 TIMING: 2948400 CPU: 8799.41, 0.00310171/step Wall: 8799.41, 0.00310171/step, 1.76763 hours remaining, 205.871094 MB of memory in use. ENERGY: 2948400 740.3610 2098.0087 1948.3340 113.9861 -206426.9183 17866.5121 0.0000 0.0000 34141.3550 -149518.3613 298.1649 -183659.7163 -149421.4068 298.4850 -54.9033 -24.4643 556144.3971 14.8144 14.7833 PRESSURE: 2948600 84.6924 -55.2061 122.506 -55.2056 -50.99 -15.0188 122.506 -15.021 -20.7838 GPRESSURE: 2948600 48.2023 -107.938 39.6347 14.8389 26.2818 -29.5016 129.228 54.6022 31.0336 PRESSAVG: 2948600 -8.48454 42.0946 28.232 42.0946 -3.515 -4.4485 28.232 -4.44859 33.9663 GPRESSAVG: 2948600 -8.69723 38.9688 28.0393 42.9534 -3.98749 -4.34188 26.2333 -4.63938 34.2066 TIMING: 2948600 CPU: 8800.02, 0.00303873/step Wall: 8800.02, 0.00303873/step, 1.73157 hours remaining, 205.871094 MB of memory in use. ENERGY: 2948600 725.9475 2063.2364 1915.9089 126.7184 -206514.0061 17916.2667 0.0000 0.0000 34130.8494 -149635.0788 298.0732 -183765.9282 -149541.5953 297.7485 4.3062 35.1726 557255.8754 7.3223 7.1740 PRESSURE: 2948800 -57.284 -134.971 -16.7944 -134.971 -198.829 27.2389 -16.795 27.2398 33.924 GPRESSURE: 2948800 -12.0571 -104.007 -84.5474 -169.548 -191.337 13.6291 17.5325 56.8961 67.5502 PRESSAVG: 2948800 5.41561 24.5363 34.8246 24.5363 -41.2552 21.3164 34.8247 21.3163 66.3935 GPRESSAVG: 2948800 4.25106 26.3168 36.5455 23.8839 -40.9377 21.5712 35.4266 21.7356 67.2233 TIMING: 2948800 CPU: 8800.63, 0.00304844/step Wall: 8800.63, 0.00304844/step, 1.73693 hours remaining, 205.871094 MB of memory in use. ENERGY: 2948800 737.3824 2077.8601 1934.2428 113.2278 -206593.9605 17849.6922 0.0000 0.0000 34133.7572 -149747.7980 298.0986 -183881.5552 -149653.2178 297.7520 -74.0631 -45.2814 557912.7922 10.1847 10.1789 PRESSURE: 2949000 11.4958 -226.072 -191.919 -226.072 264.13 45.9013 -191.919 45.9024 -215.871 GPRESSURE: 2949000 54.8255 -253.663 -263.752 -191.73 240.148 80.3642 -210.19 9.01402 -133.871 PRESSAVG: 2949000 19.9305 52.9807 41.4592 52.9806 13.1469 23.4922 41.4592 23.4922 -43.5585 GPRESSAVG: 2949000 21.5629 52.8526 40.7756 54.1573 12.5821 23.1363 40.1834 22.9439 -44.7618 TIMING: 2949000 CPU: 8801.25, 0.00308295/step Wall: 8801.25, 0.00308295/step, 1.75643 hours remaining, 205.871094 MB of memory in use. ENERGY: 2949000 735.6380 2002.9025 1955.0823 123.3310 -206258.5221 17717.7360 0.0000 0.0000 34014.2472 -149709.5852 297.0549 -183723.8324 -149614.1708 297.8074 19.9183 53.7008 556697.9415 -3.4937 -3.5389 PRESSURE: 2949200 -73.9192 97.6305 65.9991 97.6291 -260.008 -13.6601 65.9984 -13.6612 -439.483 GPRESSURE: 2949200 -66.3179 89.1707 100.643 47.3909 -224.545 10.0731 100.178 -54.9591 -386.107 PRESSAVG: 2949200 -40.0706 -1.39533 66.7331 -1.39535 9.95168 -30.9101 66.7332 -30.9101 12.8629 GPRESSAVG: 2949200 -41.3801 -1.49155 65.8297 -2.36467 10.385 -28.6802 66.0468 -31.5369 14.012 TIMING: 2949200 CPU: 8801.86, 0.00307494/step Wall: 8801.86, 0.00307494/step, 1.75169 hours remaining, 205.871094 MB of memory in use. ENERGY: 2949200 736.8359 2031.3002 1937.6938 113.8086 -206147.7014 17574.5995 0.0000 0.0000 34037.4389 -149716.0245 297.2574 -183753.4634 -149623.2629 297.7400 -257.8035 -225.6566 558522.5955 -5.7520 -5.6610 PRESSURE: 2949400 -22.8812 -36.736 67.5367 -36.735 -202.908 -102.457 67.5356 -102.456 304.161 GPRESSURE: 2949400 23.4939 -39.4194 35.226 -53.5368 -131.35 -135.812 132.747 -8.61433 284.928 PRESSAVG: 2949400 -4.90576 1.45812 43.7673 1.45808 -22.178 -16.6318 43.7672 -16.6318 -1.44239 GPRESSAVG: 2949400 -3.94106 0.718423 43.2808 1.46736 -21.9674 -19.0422 45.1669 -16.8741 -2.87553 TIMING: 2949400 CPU: 8802.47, 0.00303566/step Wall: 8802.47, 0.00303566/step, 1.72914 hours remaining, 205.871094 MB of memory in use. ENERGY: 2949400 785.1672 2012.4274 1915.7699 114.0045 -206651.4996 17983.5862 0.0000 0.0000 34101.1291 -149739.4152 297.8136 -183840.5443 -149647.2298 297.4736 26.1237 59.0241 556222.1921 -9.5087 -9.5946 PRESSURE: 2949600 -36.9774 21.3316 199.807 21.3314 -149.52 -138.832 199.806 -138.831 -88.1721 GPRESSURE: 2949600 -20.8975 23.7503 205.922 7.95035 -78.962 -96.2696 142.325 -125.806 -61.1656 PRESSAVG: 2949600 38.6085 9.93413 4.3793 9.93405 -65.0565 -25.8793 4.37925 -25.8793 58.0363 GPRESSAVG: 2949600 38.8034 7.73559 2.79779 11.8543 -64.5382 -26.854 4.8026 -24.5154 57.4979 TIMING: 2949600 CPU: 8803.08, 0.00306702/step Wall: 8803.08, 0.00306702/step, 1.74684 hours remaining, 205.871094 MB of memory in use. ENERGY: 2949600 759.6478 2088.1882 1938.1348 117.9458 -206322.2580 17792.0097 0.0000 0.0000 34046.5340 -149579.7976 297.3368 -183626.3316 -149480.3966 297.6500 -91.5564 -53.6750 556619.5110 10.5294 10.5877 PRESSURE: 2949800 -43.6081 170.705 -32.0935 170.707 76.4353 159.471 -32.0936 159.47 63.671 GPRESSURE: 2949800 -48.5104 187.441 -2.1387 133.106 101.06 91.5641 -135.112 88.1001 146.832 PRESSAVG: 2949800 -2.13818 -33.2203 -23.1187 -33.2203 21.0383 20.236 -23.1187 20.236 -32.2774 GPRESSAVG: 2949800 -2.90849 -31.2513 -20.3193 -33.7135 20.3097 19.9338 -25.6423 20.2007 -30.7025 TIMING: 2949800 CPU: 8803.69, 0.00305224/step Wall: 8803.69, 0.00305224/step, 1.73825 hours remaining, 205.871094 MB of memory in use. ENERGY: 2949800 713.4299 2082.1203 1936.6126 120.4550 -206095.9061 17866.3658 0.0000 0.0000 33959.0121 -149417.9104 296.5725 -183376.9226 -149320.7652 298.0115 32.1660 66.4605 558017.0447 -4.4591 -4.4338 PRESSURE: 2950000 -210.418 -184.425 -9.16062 -184.425 -216.389 80.9581 -9.16031 80.9574 -63.8883 GPRESSURE: 2950000 -193.741 -267.675 -41.9722 -102.91 -211.581 117.822 85.0012 62.2705 16.6108 PRESSAVG: 2950000 -73.8892 -42.3815 33.1275 -42.3815 -4.38048 4.55429 33.1274 4.5543 79.469 GPRESSAVG: 2950000 -71.7921 -41.944 30.0322 -43.6516 -5.12872 4.60252 36.2967 2.87056 77.9541 TIMING: 2950000 CPU: 8804.3, 0.00304334/step Wall: 8804.3, 0.00304334/step, 1.73301 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: 2950000 748.6466 2075.2956 1942.4326 122.8620 -206311.6374 17557.3717 0.0000 0.0000 34371.8138 -149493.2152 300.1776 -183865.0290 -149393.8916 298.4457 -163.5649 -129.5703 556823.3160 0.3998 0.3444 PRESSURE: 2950200 -217.796 -92.5865 71.5738 -92.5877 -421.842 -78.2663 71.575 -78.2654 -196.966 GPRESSURE: 2950200 -186.85 -82.2504 29.0451 -91.0915 -315.998 3.97088 138.174 -114.369 -225.928 PRESSAVG: 2950200 7.82144 12.8066 36.1162 12.8067 12.0006 -8.62976 36.1162 -8.62966 12.4837 GPRESSAVG: 2950200 7.42924 12.8886 38.265 13.9724 12.5225 -8.0042 34.6344 -4.93688 13.2624 TIMING: 2950200 CPU: 8804.91, 0.00303393/step Wall: 8804.91, 0.00303393/step, 1.72749 hours remaining, 205.871094 MB of memory in use. ENERGY: 2950200 758.0945 2011.8608 1941.1587 124.7924 -205679.3907 17252.1448 0.0000 0.0000 34231.0870 -149360.2525 298.9486 -183591.3394 -149266.1538 298.5578 -278.8678 -242.9253 557262.3718 10.7686 11.0714 PRESSURE: 2950400 -64.39 114.731 -40.7939 114.731 -69.7858 -96.9778 -40.7945 -96.9783 -117.394 GPRESSURE: 2950400 -77.0097 -65.5974 4.00705 164.359 -37.7103 -17.4468 30.5655 -198.505 -48.0758 PRESSAVG: 2950400 11.756 5.56692 19.3513 5.56684 -23.6302 -37.1344 19.3513 -37.1343 -16.0745 GPRESSAVG: 2950400 10.836 6.03769 19.5803 3.1431 -23.4098 -37.3703 20.0957 -40.9504 -14.9406 TIMING: 2950400 CPU: 8805.52, 0.0030354/step Wall: 8805.52, 0.0030354/step, 1.72815 hours remaining, 205.871094 MB of memory in use. ENERGY: 2950400 724.5689 2090.2316 1894.4822 100.2676 -206194.5013 17639.0095 0.0000 0.0000 34337.6890 -149408.2524 299.8796 -183745.9415 -149316.0107 298.5484 -83.8565 -54.2653 556496.8779 -9.3162 -9.1715 PRESSURE: 2950600 -96.892 -80.4159 51.2112 -80.4154 167.561 77.0468 51.212 77.048 -62.3543 GPRESSURE: 2950600 -40.5253 -56.501 116.403 -123.741 174.081 65.2642 46.5326 82.2091 -21.2234 PRESSAVG: 2950600 9.79811 3.17545 12.1557 3.17548 33.3356 9.11173 12.1556 9.11169 -53.6508 GPRESSAVG: 2950600 10.5876 3.90936 11.4822 4.14712 31.7934 8.2446 11.7717 10.053 -52.9527 TIMING: 2950600 CPU: 8806.12, 0.00302731/step Wall: 8806.12, 0.00302731/step, 1.72338 hours remaining, 205.871094 MB of memory in use. ENERGY: 2950600 761.6493 2043.1869 1915.6787 114.2562 -206613.9570 17963.9400 0.0000 0.0000 34366.5510 -149448.6949 300.1316 -183815.2459 -149355.6114 298.3130 2.7717 37.4440 559244.3113 -3.5057 -3.5239 PRESSURE: 2950800 -185.333 -196.086 121.536 -196.085 -219.678 299.34 121.536 299.339 -296.002 GPRESSURE: 2950800 -159.9 -274.901 134.803 -120.572 -218.532 303.777 135.305 288.658 -239.906 PRESSAVG: 2950800 -43.2001 -46.6721 25.5538 -46.6721 87.7273 47.2583 25.5539 47.2583 -3.54033 GPRESSAVG: 2950800 -43.855 -49.5264 24.8205 -46.5389 89.0214 46.7997 24.8211 48.8321 -4.85191 TIMING: 2950800 CPU: 8806.73, 0.00305336/step Wall: 8806.73, 0.00305336/step, 1.73804 hours remaining, 205.871094 MB of memory in use. ENERGY: 2950800 731.4096 2110.3705 1920.6176 105.7544 -206137.1855 17657.8279 0.0000 0.0000 34422.1898 -149189.0156 300.6175 -183611.2054 -149089.7932 299.4632 -233.6708 -206.1123 558603.2187 13.6623 13.4381 PRESSURE: 2951000 -0.812793 -111.96 41.0347 -111.959 -300.817 -1.74301 41.0349 -1.74248 -215.334 GPRESSURE: 2951000 5.44923 -22.3312 30.228 -157.822 -218.235 27.6053 49.7051 -123.023 -190.726 PRESSAVG: 2951000 -9.39783 -42.2668 6.22709 -42.2669 -14.7551 24.7467 6.22714 24.7467 22.2697 GPRESSAVG: 2951000 -8.50706 -40.4506 8.39847 -42.4155 -15.1034 25.7129 5.42609 24.1987 21.5457 TIMING: 2951000 CPU: 8807.35, 0.00307399/step Wall: 8807.35, 0.00307399/step, 1.74961 hours remaining, 205.871094 MB of memory in use. ENERGY: 2951000 745.9092 2139.2312 1902.4200 105.7652 -205940.1047 17721.8012 0.0000 0.0000 34002.5565 -149322.4212 296.9528 -183324.9778 -149232.4118 298.9077 -172.3210 -134.5039 559632.3585 -0.6278 -0.6882 PRESSURE: 2951200 -85.2531 223.485 -4.97422 223.485 117.557 75.5117 -4.97404 75.5096 -23.5158 GPRESSURE: 2951200 -34.2444 240.231 16.8295 191.396 169.094 54.8114 26.7822 6.77177 -20.7845 PRESSAVG: 2951200 -28.4634 -18.0768 -2.51672 -18.0769 34.2554 53.8749 -2.51672 53.8748 16.0929 GPRESSAVG: 2951200 -28.4221 -19.9588 -4.32707 -16.1944 33.3362 50.7575 0.456729 53.2508 16.9155 TIMING: 2951200 CPU: 8807.96, 0.00306065/step Wall: 8807.96, 0.00306065/step, 1.74185 hours remaining, 205.871094 MB of memory in use. ENERGY: 2951200 746.2237 2055.3307 1937.3076 105.0866 -205998.7982 17844.0233 0.0000 0.0000 34095.1692 -149215.6571 297.7616 -183310.8263 -149119.1366 299.2712 2.9292 38.0216 558780.1446 7.2950 7.2765 PRESSURE: 2951400 -249.784 28.2749 120.842 28.2731 -270.211 137.591 120.842 137.59 45.2483 GPRESSURE: 2951400 -190.426 81.8208 31.0967 22.2011 -193.595 122.331 86.0765 83.5945 1.72432 PRESSAVG: 2951400 -95.0976 98.8301 -44.9881 98.8301 23.6416 41.9419 -44.988 41.9422 100.258 GPRESSAVG: 2951400 -95.9416 100.588 -42.583 96.8613 24.609 46.1223 -46.9938 40.6334 100.524 TIMING: 2951400 CPU: 8808.57, 0.00306431/step Wall: 8808.57, 0.00306431/step, 1.74376 hours remaining, 205.871094 MB of memory in use. ENERGY: 2951400 761.8581 2111.8156 1940.6776 110.8466 -205873.9872 17647.5332 0.0000 0.0000 33992.7948 -149308.4612 296.8675 -183301.2560 -149217.2270 299.1124 -158.2489 -127.4323 558350.7481 9.6006 9.7306 PRESSURE: 2951600 -136.146 -14.6563 -47.9918 -14.6567 167.524 110.002 -47.9918 110.003 249.787 GPRESSURE: 2951600 -86.0518 34.5138 -121.605 -7.45728 244.788 94.877 -1.23887 110.452 211.411 PRESSAVG: 2951600 -31.508 -30.711 -26.4799 -30.7111 28.5927 68.8404 -26.4799 68.8405 8.78314 GPRESSAVG: 2951600 -31.7406 -31.3562 -28.075 -30.8102 28.3214 69.5113 -26.6162 68.6808 9.60403 TIMING: 2951600 CPU: 8809.18, 0.00304792/step Wall: 8809.18, 0.00304792/step, 1.73427 hours remaining, 205.871094 MB of memory in use. ENERGY: 2951600 784.4673 2091.3346 1917.4609 115.1663 -206655.7359 18135.0752 0.0000 0.0000 34398.3103 -149213.9213 300.4090 -183612.2316 -149118.7628 299.6836 93.7214 123.3824 557815.4515 1.9560 2.0616 PRESSURE: 2951800 -41.2422 66.9719 -20.2697 66.9714 -119.838 1.35119 -20.2715 1.35079 36.1319 GPRESSURE: 2951800 -26.0339 39.5392 -25.0539 138.215 -85.8868 -49.4149 9.63773 49.8926 94.4126 PRESSAVG: 2951800 -22.5729 -8.14951 -18.7896 -8.14956 24.6979 -35.2348 -18.7896 -35.2347 -5.08003 GPRESSAVG: 2951800 -20.2862 -8.4505 -18.3702 -6.75703 23.6526 -38.5186 -18.1685 -33.2615 -6.5122 TIMING: 2951800 CPU: 8809.79, 0.00303827/step Wall: 8809.79, 0.00303827/step, 1.72861 hours remaining, 205.871094 MB of memory in use. ENERGY: 2951800 712.7566 2075.9849 1968.7922 124.5823 -206309.8826 17935.5711 0.0000 0.0000 34325.4662 -149166.7293 299.7728 -183492.1955 -149071.0601 299.7371 -41.6496 -5.8360 557450.1471 -0.9850 -1.0486 PRESSURE: 2952000 -110.031 6.00513 -35.8703 6.00443 51.0589 78.4004 -35.8709 78.3997 -155.353 GPRESSURE: 2952000 -111.437 1.18876 -10.0372 -9.01072 124.06 29.0967 -61.2066 108.034 -129.236 PRESSAVG: 2952000 -3.51584 30.0191 -6.43574 30.0192 2.47156 4.57349 -6.43573 4.57352 -26.6185 GPRESSAVG: 2952000 -2.96824 30.1701 -5.44129 28.3872 1.66251 5.09561 -6.4247 3.62896 -26.24 TIMING: 2952000 CPU: 8810.39, 0.00300633/step Wall: 8810.39, 0.00300633/step, 1.71027 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: 2952000 732.8534 2101.1911 1913.4037 109.1929 -206380.1882 17854.8289 0.0000 0.0000 34158.2103 -149510.5079 298.3121 -183668.7182 -149421.3298 299.3119 -71.4415 -38.8706 557363.0887 -9.2209 -9.1819 PRESSURE: 2952200 -344.24 36.549 -117.581 36.5477 -300.791 118.291 -117.581 118.292 -89.0635 GPRESSURE: 2952200 -319.761 49.987 -110.866 84.5887 -214.096 89.3522 52.9574 133.94 -104.824 PRESSAVG: 2952200 18.1563 36.2872 25.2486 36.2872 38.9872 70.959 25.2487 70.9589 -66.7619 GPRESSAVG: 2952200 15.772 37.9187 23.464 36.9675 40.1541 71.957 24.2887 72.6927 -65.6507 TIMING: 2952200 CPU: 8810.99, 0.00301724/step Wall: 8810.99, 0.00301724/step, 1.71631 hours remaining, 205.871094 MB of memory in use. ENERGY: 2952200 701.2255 2111.1650 1948.6453 114.4282 -205952.9767 17411.0802 0.0000 0.0000 34318.5703 -149347.8623 299.7126 -183666.4326 -149244.0182 298.9740 -244.6981 -212.8938 559316.2921 -3.2061 -3.2415 LDB: ============= START OF LOAD BALANCING ============== 8814.43 LDB: ============== END OF LOAD BALANCING =============== 8814.43 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8814.43 LDB: ============= START OF LOAD BALANCING ============== 8814.74 LDB: Largest compute 4819 load 0.030011 is 25.4% of average load 0.117999 LDB: Average compute 0.001738 is 1.5% of average load 0.117999 LDB: TIME 8814.74 LOAD: AVG 0.117999 MAX 0.208789 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.414 MB LDB: TIME 8814.74 LOAD: AVG 0.117999 MAX 0.208789 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: TIME 8814.74 LOAD: AVG 0.117999 MAX 0.208789 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: ============== END OF LOAD BALANCING =============== 8814.74 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8814.74 PRESSURE: 2952400 120.952 117.183 99.9862 117.182 14.0542 24.5429 99.9853 24.5429 118.141 GPRESSURE: 2952400 132.36 139.07 9.62479 25.4284 66.6721 29.9899 161.667 -3.39637 138.246 PRESSAVG: 2952400 25.4809 -4.1762 -1.40539 -4.17623 5.62063 -14.573 -1.40544 -14.573 -27.3389 GPRESSAVG: 2952400 25.3072 -5.58355 -1.06517 -6.76473 6.07157 -13.3802 0.0725733 -18.8745 -27.3263 TIMING: 2952400 CPU: 8811.62, 0.00310459/step Wall: 8811.62, 0.00310459/step, 1.76582 hours remaining, 206.921875 MB of memory in use. ENERGY: 2952400 741.6453 2133.8303 1920.3968 115.8130 -206272.7972 17812.2498 0.0000 0.0000 34431.2796 -149117.5823 300.6969 -183548.8619 -149018.0925 299.6806 84.3821 112.4261 556633.7915 1.2542 1.3508 PRESSURE: 2952600 -51.7591 -25.9059 73.0842 -25.9059 50.0123 -88.5224 73.0841 -88.5216 92.7282 GPRESSURE: 2952600 -36.4756 -17.9349 73.7643 16.2856 72.9226 -113.88 112.785 -44.1205 144.944 PRESSAVG: 2952600 67.7978 21.933 18.3125 21.933 -37.1923 2.48005 18.3125 2.47998 35.6772 GPRESSAVG: 2952600 68.593 20.3687 17.738 25.0128 -37.345 3.23436 18.096 4.5124 34.7584 TIMING: 2952600 CPU: 8812.22, 0.00304543/step Wall: 8812.22, 0.00304543/step, 1.732 hours remaining, 206.921875 MB of memory in use. ENERGY: 2952600 759.4565 2137.5028 1923.0910 111.8715 -205945.0537 17692.9221 0.0000 0.0000 34094.3573 -149225.8524 297.7545 -183320.2098 -149134.6833 300.0731 30.3271 60.4636 556262.8486 22.0942 22.0021 PRESSURE: 2952800 156.525 -30.8883 80.1289 -30.8887 -49.0512 241.444 80.1292 241.445 -86.4206 GPRESSURE: 2952800 189.423 -45.918 8.77094 31.8907 4.1142 224.029 78.2774 268.118 -83.9742 PRESSAVG: 2952800 89.7929 5.31574 -18.8087 5.31578 -46.9743 -27.5618 -18.8086 -27.5617 -34.2966 GPRESSAVG: 2952800 88.6531 6.95907 -18.7658 4.43445 -46.6194 -28.4654 -20.6314 -26.9242 -33.8647 TIMING: 2952800 CPU: 8812.83, 0.00303667/step Wall: 8812.83, 0.00303667/step, 1.72685 hours remaining, 206.921875 MB of memory in use. ENERGY: 2952800 758.4838 2085.0818 1921.7772 123.3135 -206243.4559 17768.0654 0.0000 0.0000 34430.2309 -149156.5034 300.6878 -183586.7343 -149060.5437 299.6659 7.0176 36.5209 556961.1512 2.8407 2.7230 PRESSURE: 2953000 -141.507 -29.0103 79.9968 -29.0105 -48.4748 26.7354 79.9971 26.737 -320.254 GPRESSURE: 2953000 -118.163 -89.8083 62.4042 6.56945 -46.8503 83.3345 91.1171 26.5309 -248.937 PRESSAVG: 2953000 -25.1907 -30.3768 -21.8313 -30.3768 25.7475 -17.7545 -21.8314 -17.7546 3.18588 GPRESSAVG: 2953000 -23.5329 -29.041 -22.6789 -32.2951 23.7896 -18.6921 -21.4587 -17.7342 3.5631 TIMING: 2953000 CPU: 8813.44, 0.00303953/step Wall: 8813.44, 0.00303953/step, 1.72831 hours remaining, 206.921875 MB of memory in use. ENERGY: 2953000 785.0718 2149.5683 1926.8337 109.2169 -206170.3033 17848.1881 0.0000 0.0000 34363.5706 -148987.8539 300.1056 -183351.4245 -148889.5525 300.0117 -170.0786 -137.9834 557911.2012 1.2476 1.2732 PRESSURE: 2953200 113.664 -204.213 8.63073 -204.213 -199.591 -49.8334 8.63158 -49.833 -88.6556 GPRESSURE: 2953200 128.017 -148.373 -7.20459 -209.425 -146.999 -89.6728 15.5717 -21.3904 -46.3793 PRESSAVG: 2953200 -53.045 -16.6953 -11.9541 -16.6953 37.898 0.25924 -11.9542 0.259169 -16.5395 GPRESSAVG: 2953200 -54.6244 -16.9725 -11.9984 -16.0896 39.668 -1.37277 -10.7282 -0.796463 -16.5531 TIMING: 2953200 CPU: 8814.05, 0.00303765/step Wall: 8814.05, 0.00303765/step, 1.72708 hours remaining, 206.921875 MB of memory in use. ENERGY: 2953200 743.3496 2103.3915 1929.2865 115.5304 -205857.1342 17725.9690 0.0000 0.0000 34332.2871 -148907.3201 299.8324 -183239.6072 -148815.1895 300.4652 -58.1942 -21.7872 558925.3122 -10.5621 -10.5032 PRESSURE: 2953400 1.56965 101.667 137.526 101.668 -288.254 19.0195 137.524 19.0188 -269.285 GPRESSURE: 2953400 23.6546 126.606 188.933 80.0029 -304.951 45.7109 96.8595 -29.6072 -196.953 PRESSAVG: 2953400 -13.649 59.3409 63.2637 59.3409 35.291 2.44667 63.2637 2.44681 9.3551 GPRESSAVG: 2953400 -13.1203 58.2212 64.3911 61.6765 34.7139 4.12079 62.8934 3.95131 9.08492 TIMING: 2953400 CPU: 8814.66, 0.00305404/step Wall: 8814.66, 0.00305404/step, 1.73622 hours remaining, 206.921875 MB of memory in use. ENERGY: 2953400 766.2778 2124.7027 1931.6936 116.1220 -205752.5038 17555.6781 0.0000 0.0000 34224.3068 -149033.7227 298.8894 -183258.0295 -148938.1760 300.2769 -185.3231 -159.4164 559938.3541 10.3324 10.2262 PRESSURE: 2953600 -3.67642 -29.1368 -68.5495 -29.1375 178.518 17.7546 -68.5498 17.7539 -179.391 GPRESSURE: 2953600 27.2122 2.70266 -147.596 67.205 168.843 46.5192 -99.8349 -64.968 -94.3171 PRESSAVG: 2953600 -28.1034 38.1517 -9.57752 38.1516 54.0612 -16.1025 -9.57752 -16.1025 -17.379 GPRESSAVG: 2953600 -28.6498 39.3993 -10.3091 36.6285 55.6428 -16.4841 -10.0597 -16.4023 -18.2506 TIMING: 2953600 CPU: 8815.27, 0.00307034/step Wall: 8815.27, 0.00307034/step, 1.74532 hours remaining, 206.988281 MB of memory in use. ENERGY: 2953600 743.6473 2083.4432 1937.5782 113.1322 -206229.4384 17896.1730 0.0000 0.0000 34190.8179 -149264.6466 298.5969 -183455.4645 -149179.8866 299.5202 -1.5167 33.9127 558467.4743 2.8596 2.9141 PRESSURE: 2953800 7.35242 89.66 -17.4054 89.6595 181.641 -213.632 -17.4061 -213.63 -163.978 GPRESSURE: 2953800 17.6091 161.822 46.8496 105.617 182.5 -242.959 -83.1432 -207.909 -70.9068 PRESSAVG: 2953800 -21.7778 18.8422 -34.9265 18.8422 65.9052 -1.47253 -34.9265 -1.47254 -1.18955 GPRESSAVG: 2953800 -20.8964 18.8232 -35.8721 18.7453 64.2172 -1.82514 -34.3829 -1.43875 0.0362627 TIMING: 2953800 CPU: 8815.88, 0.00304823/step Wall: 8815.88, 0.00304823/step, 1.73258 hours remaining, 206.988281 MB of memory in use. ENERGY: 2953800 722.8660 2052.2125 1931.8779 118.3025 -206017.5632 17744.0966 0.0000 0.0000 34259.4188 -149188.7889 299.1960 -183448.2077 -149102.6942 298.9171 8.3386 43.0675 556550.1375 14.3126 14.4524 PRESSURE: 2954000 26.7182 -172.108 5.57523 -172.108 99.9714 -77.4359 5.57627 -77.4365 -126.277 GPRESSURE: 2954000 83.1816 -162.631 9.66485 -130.645 119.399 -125.066 -1.66002 -44.2587 -96.3794 PRESSAVG: 2954000 18.8426 9.74431 23.6575 9.7443 35.3445 -55.1706 23.6576 -55.1705 -39.7115 GPRESSAVG: 2954000 19.9967 12.5234 25.3633 7.1052 34.0907 -55.6153 24.1852 -55.8601 -39.8611 TIMING: 2954000 CPU: 8816.5, 0.00307513/step Wall: 8816.5, 0.00307513/step, 1.7477 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: 2954000 735.8781 2093.1136 1938.8993 110.5441 -206320.4040 17809.7548 0.0000 0.0000 34413.9759 -149218.2382 300.5458 -183632.2141 -149125.5621 299.8292 0.1376 35.4003 556401.7900 4.8252 4.7421 PRESSURE: 2954200 129.456 -11.4968 -32.5888 -11.4977 -111.527 -74.825 -32.5899 -74.8253 113.662 GPRESSURE: 2954200 188.687 64.5848 -31.6054 -52.76 -106.255 -76.8376 -78.4604 -155.259 146.216 PRESSAVG: 2954200 16.8086 -13.4382 -42.8887 -13.4382 -106.651 -69.7033 -42.8888 -69.7034 53.8256 GPRESSAVG: 2954200 16.6676 -15.516 -41.86 -11.9608 -105.72 -68.3481 -46.3089 -69.7952 52.9559 TIMING: 2954200 CPU: 8817.11, 0.00307724/step Wall: 8817.11, 0.00307724/step, 1.74873 hours remaining, 206.988281 MB of memory in use. ENERGY: 2954200 725.8543 2046.2284 1948.5155 115.1693 -206128.7209 17781.9272 0.0000 0.0000 34276.4732 -149234.5532 299.3450 -183511.0264 -149144.2256 299.6837 43.8637 76.2161 558122.5511 -12.0055 -12.0321 PRESSURE: 2954400 86.7354 71.5549 189.253 71.5534 -265.875 66.4149 189.251 66.4141 -230.808 GPRESSURE: 2954400 92.404 42.3918 132.749 44.8323 -210.945 79.9599 158.518 -11.0996 -209.891 PRESSAVG: 2954400 -48.8212 49.3681 5.87078 49.368 11.8652 -37.4075 5.87073 -37.4075 30.519 GPRESSAVG: 2954400 -48.8112 47.7173 6.001 49.7834 13.3063 -37.761 7.42881 -35.8452 29.1121 TIMING: 2954400 CPU: 8817.72, 0.00305041/step Wall: 8817.72, 0.00305041/step, 1.73331 hours remaining, 206.988281 MB of memory in use. ENERGY: 2954400 751.4656 2096.2783 1952.7193 116.8783 -206226.0473 17784.1527 0.0000 0.0000 34241.1049 -149283.4482 299.0361 -183524.5532 -149190.9696 299.6177 -136.6491 -109.4774 559289.7306 -2.1457 -2.1309 PRESSURE: 2954600 -311.869 138.749 116.254 138.749 -48.463 -95.8188 116.254 -95.8182 -130.231 GPRESSURE: 2954600 -288.321 137.247 94.9388 129.05 -47.3256 -46.3332 110.751 -78.3002 -49.1126 PRESSAVG: 2954600 -7.86475 22.7634 11.7106 22.7635 -19.5755 -27.173 11.7106 -27.1729 -25.2917 GPRESSAVG: 2954600 -8.80659 24.7904 9.58842 21.753 -19.983 -27.7419 11.153 -28.0521 -23.9086 TIMING: 2954600 CPU: 8818.33, 0.00305233/step Wall: 8818.33, 0.00305233/step, 1.73423 hours remaining, 206.988281 MB of memory in use. ENERGY: 2954600 740.7104 2058.2800 1941.1497 107.0942 -205527.9643 17391.5708 0.0000 0.0000 34311.9392 -148977.2199 299.6547 -183289.1591 -148878.0538 298.7279 -163.5211 -128.2531 557755.6690 -17.5773 -17.5661 PRESSURE: 2954800 -273.653 -19.7912 -92.5853 -19.7903 61.3317 6.2032 -92.5838 6.20135 132.796 GPRESSURE: 2954800 -241.721 -33.6093 -3.08598 -83.3355 131.643 39.0318 -113.2 -9.98349 131.154 PRESSAVG: 2954800 -88.5259 -4.17885 -50.9774 -4.17887 8.25153 66.9009 -50.9773 66.9007 45.749 GPRESSAVG: 2954800 -89.0583 -6.53952 -48.5767 -3.10408 8.82194 66.8444 -50.2516 66.9836 45.8033 TIMING: 2954800 CPU: 8818.94, 0.00306027/step Wall: 8818.94, 0.00306027/step, 1.73858 hours remaining, 206.988281 MB of memory in use. ENERGY: 2954800 755.8136 2157.9843 1943.9436 127.9878 -206036.4860 17632.2138 0.0000 0.0000 34413.7556 -149004.7873 300.5439 -183418.5429 -148909.0275 299.7980 -26.5084 7.0253 557068.0305 -11.5085 -11.4777 PRESSURE: 2955000 -33.0578 111.966 -42.1441 111.967 6.0787 132 -42.1444 132 2.93184 GPRESSURE: 2955000 35.794 149.125 -51.2605 43.108 27.9684 128.942 -55.4482 102.534 9.66767 PRESSAVG: 2955000 -44.4928 -9.31502 -14.2191 -9.31505 26.347 -6.97303 -14.2191 -6.97302 73.1688 GPRESSAVG: 2955000 -44.2549 -8.43169 -16.9622 -9.65392 25.027 -6.57848 -14.8505 -6.51795 74.5616 TIMING: 2955000 CPU: 8819.55, 0.0030273/step Wall: 8819.55, 0.0030273/step, 1.71967 hours remaining, 206.988281 MB of memory in use. ENERGY: 2955000 714.5252 2059.7575 1950.4991 115.5895 -206131.8283 17940.2805 0.0000 0.0000 34110.8914 -149240.2851 297.8989 -183351.1765 -149139.1091 299.5551 -8.0158 24.4767 557085.3633 18.3410 18.4446 PRESSURE: 2955200 -201.463 -67.8139 -72.0186 -67.8138 45.7284 35.9115 -72.0184 35.9123 17.9465 GPRESSURE: 2955200 -136.515 -26.3703 -67.207 -98.336 63.1342 28.3372 -24.7033 111.956 36.2547 PRESSAVG: 2955200 -49.1579 -67.3132 -41.4402 -67.3132 12.4871 16.1428 -41.4403 16.1429 50.3053 GPRESSAVG: 2955200 -48.0667 -68.0296 -39.775 -67.4042 13.0181 15.5915 -42.8178 16.1533 48.7726 TIMING: 2955200 CPU: 8820.16, 0.00302803/step Wall: 8820.16, 0.00302803/step, 1.71992 hours remaining, 206.988281 MB of memory in use. ENERGY: 2955200 731.4953 2078.1009 1916.3400 106.6677 -206123.6950 17675.3841 0.0000 0.0000 34439.8088 -149175.8981 300.7714 -183615.7069 -149083.1618 299.5802 -45.9293 -12.3753 556493.5284 4.5448 4.5747 PRESSURE: 2955400 78.0589 -60.0494 -40.8534 -60.0472 194.121 63.3949 -40.8526 63.394 85.9072 GPRESSURE: 2955400 99.5605 -69.1222 26.7483 9.15154 208.077 37.3549 -92.1166 3.73669 152.562 PRESSAVG: 2955400 -91.4774 0.547876 -0.284267 0.547934 68.0756 -16.6808 -0.284222 -16.6808 12.1122 GPRESSAVG: 2955400 -91.5299 1.59563 -3.86916 1.74193 68.9319 -16 3.32094 -15.7868 11.3494 TIMING: 2955400 CPU: 8820.76, 0.00301809/step Wall: 8820.76, 0.00301809/step, 1.71411 hours remaining, 206.988281 MB of memory in use. ENERGY: 2955400 745.8815 2108.7342 1941.6254 117.7225 -206235.4168 17875.6542 0.0000 0.0000 34338.4882 -149107.3108 299.8866 -183445.7990 -149010.3376 300.0203 119.3624 153.3998 557858.9524 -3.7632 -3.7495 PRESSURE: 2955600 -48.5915 -48.5184 146.744 -48.5192 -291.611 43.8133 146.744 43.8123 -143.511 GPRESSURE: 2955600 -12.6171 -173.309 71.5518 35.3855 -306.714 -38.6664 178.481 44.8877 -69.5311 PRESSAVG: 2955600 -29.6068 13.9252 84.4592 13.9252 5.0544 18.3563 84.4592 18.3563 16.8044 GPRESSAVG: 2955600 -28.9273 12.9342 86.0239 14.2424 3.24072 16.904 83.1577 17.9985 17.6833 TIMING: 2955600 CPU: 8821.37, 0.00303346/step Wall: 8821.37, 0.00303346/step, 1.72267 hours remaining, 206.988281 MB of memory in use. ENERGY: 2955600 683.3359 2102.9984 1929.0341 117.8568 -205635.0796 17261.3341 0.0000 0.0000 34206.8707 -149333.6495 298.7371 -183540.5203 -149234.7459 299.3601 -161.2380 -129.6206 557505.6728 -2.5827 -2.6678 PRESSURE: 2955800 178.604 44.8296 -125.619 44.8301 36.1626 5.32221 -125.619 5.32363 239.819 GPRESSURE: 2955800 217.017 38.4756 -211.327 91.5708 99.1357 54.2908 -114.495 -36.1366 255.255 PRESSAVG: 2955800 -42.8624 17.8199 42.4064 17.82 -43.2911 10.878 42.4064 10.8782 84.0815 GPRESSAVG: 2955800 -42.9779 20.2296 43.0675 18.0808 -43.4935 11.0763 42.2492 9.97627 84.5927 TIMING: 2955800 CPU: 8821.97, 0.00301332/step Wall: 8821.97, 0.00301332/step, 1.71106 hours remaining, 206.988281 MB of memory in use. ENERGY: 2955800 717.9827 1999.4415 1942.1588 108.5199 -206321.4910 18027.3721 0.0000 0.0000 34270.2229 -149255.7931 299.2904 -183526.0160 -149165.5302 299.0734 151.5287 190.4691 556719.7313 -0.6907 -0.6262 PRESSURE: 2956000 -172.8 -79.9147 -99.3285 -79.9136 14.1372 -126.517 -99.3273 -126.517 -219.023 GPRESSURE: 2956000 -128.681 -123.443 -9.4757 -40.4698 20.4595 -55.8792 -121.44 -155.818 -158.927 PRESSAVG: 2956000 26.2957 -22.2026 -12.8676 -22.2026 -21.1725 0.534785 -12.8674 0.534699 -12.8078 GPRESSAVG: 2956000 25.4895 -25.1774 -14.782 -23.1059 -20.5572 0.424527 -12.2009 1.13829 -12.0022 TIMING: 2956000 CPU: 8822.57, 0.00302342/step Wall: 8822.57, 0.00302342/step, 1.71663 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: 2956000 699.0502 2119.4138 1921.8042 103.3605 -205848.1287 17552.7981 0.0000 0.0000 34191.6860 -149260.0157 298.6045 -183451.7018 -149157.2239 299.2600 -125.8952 -89.0496 558700.7756 -2.5615 -2.3566 PRESSURE: 2956200 -4.89947 -43.4874 -142.034 -43.4877 359.85 87.0884 -142.034 87.0886 -101.013 GPRESSURE: 2956200 53.5935 -11.7481 -195.289 -90.929 347.805 149.159 -179.803 63.3452 -54.6309 PRESSAVG: 2956200 -38.8738 17.8834 -39.5934 17.8833 8.83393 3.98261 -39.5935 3.98254 24.2602 GPRESSAVG: 2956200 -38.471 20.1994 -37.9622 18.0083 8.45431 4.46825 -40.8758 3.38336 23.6109 TIMING: 2956200 CPU: 8823.18, 0.00303037/step Wall: 8823.18, 0.00303037/step, 1.72041 hours remaining, 206.988281 MB of memory in use. ENERGY: 2956200 719.2547 2099.4135 1950.1362 114.7915 -206273.7210 17988.7546 0.0000 0.0000 34122.9127 -149278.4578 298.0039 -183401.3705 -149192.9239 298.3373 84.6460 115.5891 558193.6768 -1.9266 -2.1353 LDB: ============= START OF LOAD BALANCING ============== 8826.62 LDB: ============== END OF LOAD BALANCING =============== 8826.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8826.62 LDB: ============= START OF LOAD BALANCING ============== 8826.92 LDB: Largest compute 4820 load 0.031263 is 26.5% of average load 0.117991 LDB: Average compute 0.001741 is 1.5% of average load 0.117991 LDB: TIME 8826.92 LOAD: AVG 0.117991 MAX 0.21264 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.047 MB LDB: TIME 8826.93 LOAD: AVG 0.117991 MAX 0.21264 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.246 MB LDB: TIME 8826.93 LOAD: AVG 0.117991 MAX 0.21264 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.246 MB LDB: ============== END OF LOAD BALANCING =============== 8826.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8826.93 PRESSURE: 2956400 82.5885 -55.6401 -189.678 -55.6426 37.9393 111.61 -189.678 111.611 22.8772 GPRESSURE: 2956400 119.934 -113.593 -172.464 -3.82761 130.106 -51.0424 -185.762 167.642 -0.423238 PRESSAVG: 2956400 -30.907 14.4777 -41.7311 14.4776 8.26476 18.9579 -41.7312 18.9578 16.8384 GPRESSAVG: 2956400 -30.8308 14.7878 -40.5262 12.4885 8.08707 19.0726 -41.4329 19.2322 16.9439 TIMING: 2956400 CPU: 8823.8, 0.00311012/step Wall: 8823.8, 0.00311012/step, 1.76551 hours remaining, 205.937500 MB of memory in use. ENERGY: 2956400 729.3942 2012.7951 1923.5028 103.2167 -206262.8370 17946.2583 0.0000 0.0000 34081.0873 -149466.5826 297.6386 -183547.6698 -149366.6884 297.6984 47.8017 83.2058 558596.5604 -1.9346 -1.9333 PRESSURE: 2956600 -235.057 31.2927 -127.338 31.2918 -31.891 40.1246 -127.339 40.1251 -297.448 GPRESSURE: 2956600 -195.473 77.0954 -44.57 -41.3835 -13.1257 -7.12379 -195.616 49.7907 -272.333 PRESSAVG: 2956600 -14.6063 33.9719 -73.3528 33.9719 49.0211 25.9949 -73.353 25.995 -58.0024 GPRESSAVG: 2956600 -14.4571 32.869 -74.8839 34.0302 50.1127 27.8523 -73.0554 23.6742 -59.0333 TIMING: 2956600 CPU: 8824.41, 0.00303832/step Wall: 8824.41, 0.00303832/step, 1.72458 hours remaining, 206.082031 MB of memory in use. ENERGY: 2956600 750.9913 2103.7517 1918.5072 113.4866 -205660.4506 17464.6199 0.0000 0.0000 34073.4979 -149235.5959 297.5723 -183309.0938 -149139.5118 297.5908 -188.1321 -160.3106 559120.9585 -7.8625 -7.7926 PRESSURE: 2956800 59.0551 -46.7693 117.004 -46.7695 120.208 -81.1527 117.004 -81.1516 -151.089 GPRESSURE: 2956800 16.7176 1.07194 68.5888 -85.7544 175.572 -36.6827 135.348 -52.7087 -71.6496 PRESSAVG: 2956800 10.9643 -1.32166 -4.28231 -1.32163 39.8619 -44.4479 -4.28232 -44.4478 -30.6601 GPRESSAVG: 2956800 10.9053 -0.747182 -4.48998 -1.78437 38.5953 -44.7871 -3.59823 -43.1026 -28.7011 TIMING: 2956800 CPU: 8825.01, 0.00301905/step Wall: 8825.01, 0.00301905/step, 1.71348 hours remaining, 206.082031 MB of memory in use. ENERGY: 2956800 729.6861 2065.2061 1911.7688 103.8538 -206334.2037 17864.6065 0.0000 0.0000 34241.2077 -149417.8748 299.0370 -183659.0824 -149320.5336 299.2305 9.3915 40.2134 558940.9327 6.7220 6.9332 PRESSURE: 2957000 51.505 131.611 113.288 131.61 156.173 -12.2235 113.289 -12.2248 71.3122 GPRESSURE: 2957000 73.7625 122.774 47.0638 43.312 176.177 -40.6667 161.338 75.1779 116.964 PRESSAVG: 2957000 16.4146 11.2444 22.9328 11.2444 -9.73657 17.5054 22.9329 17.5053 -13.2727 GPRESSAVG: 2957000 15.8779 12.1142 23.4776 12.6232 -8.77618 18.0592 21.6869 17.904 -13.751 TIMING: 2957000 CPU: 8825.62, 0.00302044/step Wall: 8825.62, 0.00302044/step, 1.7141 hours remaining, 206.082031 MB of memory in use. ENERGY: 2957000 757.2160 2048.1558 1939.7149 120.0798 -206550.7532 18111.1646 0.0000 0.0000 34064.6525 -149509.7696 297.4951 -183574.4221 -149410.4701 298.2537 92.9967 122.3013 555903.8376 -2.1982 -2.2164 PRESSURE: 2957200 -214.252 120.272 -97.1951 120.272 -119.302 11.883 -97.1956 11.883 -129.317 GPRESSURE: 2957200 -190.519 110.002 -113.661 175.839 -72.5444 50.3188 -58.8553 53.6108 -103.498 PRESSAVG: 2957200 20.9664 40.8547 6.8735 40.8547 -2.57908 -3.68404 6.87345 -3.68417 7.66008 GPRESSAVG: 2957200 21.7586 41.506 5.62794 41.3434 -2.60633 -3.80766 7.20225 -3.65423 7.31184 TIMING: 2957200 CPU: 8826.23, 0.00305289/step Wall: 8826.23, 0.00305289/step, 1.73235 hours remaining, 206.082031 MB of memory in use. ENERGY: 2957200 727.5954 2060.6710 1917.2451 111.1206 -205992.3066 17700.7714 0.0000 0.0000 34111.6962 -149363.2069 297.9059 -183474.9031 -149266.9206 297.7140 -154.2902 -122.1870 558056.2494 8.6825 8.8214 PRESSURE: 2957400 -359.484 -161.543 62.0802 -161.541 -253.638 17.508 62.0816 17.5068 -402.534 GPRESSURE: 2957400 -352.378 -175.362 65.9788 -152.211 -208.993 -7.42473 -22.6457 -0.584098 -344.6 PRESSAVG: 2957400 15.9373 -19.2941 -0.608311 -19.294 26.6719 -37.1299 -0.608163 -37.1298 -21.5789 GPRESSAVG: 2957400 16.2844 -18.9038 -0.442701 -20.7545 27.3824 -37.5504 -0.170998 -37.1505 -22.1101 TIMING: 2957400 CPU: 8826.83, 0.00302697/step Wall: 8826.83, 0.00302697/step, 1.71747 hours remaining, 206.082031 MB of memory in use. ENERGY: 2957400 759.9260 2082.9964 1915.5236 113.8553 -205674.6303 17392.7848 0.0000 0.0000 34140.5756 -149268.9688 298.1581 -183409.5444 -149172.2897 298.3907 -338.5519 -301.9903 557484.0177 7.0101 7.1856 PRESSURE: 2957600 -213.11 31.9743 -58.2506 31.975 -55.5803 45.0065 -58.2512 45.0061 78.7635 GPRESSURE: 2957600 -151.947 12.2585 -183.673 1.93165 -49.7971 107.537 -96.4264 3.61006 117.274 PRESSAVG: 2957600 -2.34265 6.5409 -3.09493 6.5409 36.3335 -44.6192 -3.09495 -44.6192 -68.9451 GPRESSAVG: 2957600 -1.50477 6.46649 -2.36773 7.65181 36.5146 -43.9575 -2.58158 -44.872 -70.0442 TIMING: 2957600 CPU: 8827.44, 0.00301401/step Wall: 8827.44, 0.00301401/step, 1.70995 hours remaining, 206.082031 MB of memory in use. ENERGY: 2957600 728.3377 2067.0871 1900.9732 103.6646 -205928.6363 17684.5359 0.0000 0.0000 33980.0003 -149464.0374 296.7558 -183444.0378 -149371.6448 298.3469 -63.3091 -28.1565 556338.2248 -11.6514 -11.6781 PRESSURE: 2957800 -307.522 -133.693 -39.3462 -133.693 -19.5103 -13.1844 -39.3471 -13.1853 -387.957 GPRESSURE: 2957800 -236.664 -70.4933 -57.8874 -221.399 -16.0473 -5.65518 -23.8884 -27.6639 -374.762 PRESSAVG: 2957800 12.1759 26.3921 -0.752526 26.3921 -12.4034 51.2485 -0.752485 51.2483 4.46954 GPRESSAVG: 2957800 12.1893 25.0097 -1.31161 25.5767 -13.4879 49.4013 -1.1407 54.0923 6.19979 TIMING: 2957800 CPU: 8828.03, 0.00298575/step Wall: 8828.03, 0.00298575/step, 1.69375 hours remaining, 206.082031 MB of memory in use. ENERGY: 2957800 735.4317 2066.7751 1925.7771 120.6334 -205864.8915 17578.1215 0.0000 0.0000 34178.8510 -149259.3017 298.4924 -183438.1528 -149163.0508 299.0970 -238.3300 -209.1579 559257.5666 1.4140 1.6337 PRESSURE: 2958000 -141.741 -65.0738 -0.879014 -65.0744 -185.55 -177.435 -0.87664 -177.436 -208.674 GPRESSURE: 2958000 -135.366 8.65463 10.8352 -130.621 -116.636 -172.902 65.5374 -132.546 -184.644 PRESSAVG: 2958000 65.589 -2.29193 -41.9994 -2.29191 -21.5887 32.9695 -41.9994 32.9694 -45.5884 GPRESSAVG: 2958000 65.3362 -2.02957 -40.5144 -1.04075 -20.4909 35.1069 -42.2407 30.7529 -46.6423 TIMING: 2958000 CPU: 8828.64, 0.00304937/step Wall: 8828.64, 0.00304937/step, 1.72967 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: 2958000 744.9382 1996.4822 1955.0921 109.7688 -205962.0963 17567.2069 0.0000 0.0000 34364.5440 -149224.0642 300.1141 -183588.6081 -149131.0528 299.1229 -178.6548 -145.5489 557945.8977 -0.5294 -0.5990 PRESSURE: 2958200 -18.1099 -48.3753 6.24443 -48.3767 -237.515 -45.4746 6.24382 -45.4743 -240.438 GPRESSURE: 2958200 27.082 -31.9926 -46.2019 65.1651 -215.068 48.6638 -19.9424 -28.154 -208.031 PRESSAVG: 2958200 23.6651 23.5595 25.7178 23.5595 -39.4714 -6.42845 25.7178 -6.42842 21.5546 GPRESSAVG: 2958200 22.1344 22.4303 25.752 24.7838 -39.7922 -10.0473 25.3683 -2.80982 23.6355 TIMING: 2958200 CPU: 8829.25, 0.00304305/step Wall: 8829.25, 0.00304305/step, 1.72592 hours remaining, 206.082031 MB of memory in use. ENERGY: 2958200 746.4236 2050.0830 1963.2189 103.6638 -206203.7625 17544.6478 0.0000 0.0000 34420.1191 -149375.6064 300.5995 -183795.7254 -149278.5353 299.1273 -165.3543 -132.0057 557152.8390 1.9161 1.9926 PRESSURE: 2958400 -201.815 -29.4279 -0.174864 -29.4286 -98.1677 20.0658 -0.1751 20.0657 14.831 GPRESSURE: 2958400 -132.842 -0.932838 -41.7067 37.9024 -62.2461 68.5343 -43.2854 -22.648 5.31024 PRESSAVG: 2958400 54.3379 2.57293 -25.8506 2.57295 -61.653 -2.78928 -25.8504 -2.78929 -34.2243 GPRESSAVG: 2958400 55.0263 1.89405 -26.668 1.01985 -61.7634 -1.43445 -26.1646 -6.43706 -35.442 TIMING: 2958400 CPU: 8829.86, 0.00304923/step Wall: 8829.86, 0.00304923/step, 1.72925 hours remaining, 206.082031 MB of memory in use. ENERGY: 2958400 769.1643 2093.8360 1914.4299 106.6725 -206062.8384 17774.4866 0.0000 0.0000 34086.9445 -149317.3045 297.6898 -183404.2490 -149224.2865 298.9718 -95.0507 -63.2592 558101.8277 -13.8464 -14.0597 PRESSURE: 2958600 -196.701 -9.1283 -73.6415 -9.12932 -28.9414 48.4399 -73.6416 48.4401 223.397 GPRESSURE: 2958600 -133.904 -10.2464 -54.96 -18.1247 24.9491 -3.27963 -75.5138 1.7554 191.29 PRESSAVG: 2958600 -3.41901 -9.15644 -32.771 -9.15647 -20.1715 34.4504 -32.771 34.4506 64.8655 GPRESSAVG: 2958600 -3.64928 -7.88704 -31.1558 -7.75733 -19.461 36.2687 -31.4707 35.0307 64.1573 TIMING: 2958600 CPU: 8830.47, 0.00305572/step Wall: 8830.47, 0.00305572/step, 1.73276 hours remaining, 206.082031 MB of memory in use. ENERGY: 2958600 752.4699 2008.5939 1918.0830 114.4992 -206041.5509 17771.3229 0.0000 0.0000 34448.7340 -149027.8480 300.8494 -183476.5820 -148926.5336 299.8509 -0.7484 27.4450 557575.3005 13.7583 13.6823 PRESSURE: 2958800 -101.317 -62.4274 -61.1892 -62.4262 -285.81 365.591 -61.1901 365.593 -262.805 GPRESSURE: 2958800 -141.273 -91.1505 -55.6265 -72.9978 -222.699 390.163 -126.976 266.596 -176.998 PRESSAVG: 2958800 -19.3294 -15.1698 -49.6982 -15.1697 -29.3763 -24.5835 -49.6982 -24.5836 37.652 GPRESSAVG: 2958800 -19.226 -14.1206 -51.3378 -17.5086 -29.8285 -24.3807 -49.7852 -24.7679 37.9407 TIMING: 2958800 CPU: 8831.08, 0.00305997/step Wall: 8831.08, 0.00305997/step, 1.73501 hours remaining, 206.082031 MB of memory in use. ENERGY: 2958800 748.5288 2089.8851 1950.9584 118.6326 -205443.2668 17275.9828 0.0000 0.0000 34197.1272 -149062.1519 298.6520 -183259.2791 -148962.4629 300.4555 -216.6441 -180.3234 559634.6533 -3.6846 -3.7046 PRESSURE: 2959000 311.918 89.0265 44.0359 89.0265 352.988 -136.499 44.0362 -136.502 1.14 GPRESSURE: 2959000 341.731 159.421 71.6444 31.0283 401.501 -109.027 49.1857 -170.358 16.0295 PRESSAVG: 2959000 26.1847 -1.86714 -50.392 -1.86715 -23.4365 22.0998 -50.392 22.0998 2.44503 GPRESSAVG: 2959000 26.7639 -3.73874 -48.9393 0.575617 -23.5367 21.0126 -51.4182 21.9764 2.04622 TIMING: 2959000 CPU: 8831.7, 0.00306336/step Wall: 8831.7, 0.00306336/step, 1.73675 hours remaining, 206.082031 MB of memory in use. ENERGY: 2959000 654.6106 2075.9465 1927.2991 119.9466 -206414.9042 18007.4038 0.0000 0.0000 34520.8412 -149108.8565 301.4791 -183629.6977 -149002.3536 299.8461 222.0153 253.0873 557344.6880 1.7311 1.7578 PRESSURE: 2959200 -32.1821 109.575 163.419 109.576 120.216 0.340656 163.42 0.339532 -139.308 GPRESSURE: 2959200 11.1409 30.0478 123.198 108.323 94.3109 -38.0831 222.885 -13.9684 -55.0088 PRESSAVG: 2959200 -3.82529 39.7711 37.3265 39.7711 30.4926 26.4983 37.3266 26.4984 -10.7852 GPRESSAVG: 2959200 -3.8798 39.2002 37.0045 39.3039 29.9975 25.7594 38.9466 25.6347 -10.2239 TIMING: 2959200 CPU: 8832.32, 0.00309326/step Wall: 8832.32, 0.00309326/step, 1.75353 hours remaining, 206.082031 MB of memory in use. ENERGY: 2959200 694.2277 2092.0075 1946.2238 117.5807 -205719.1419 17608.0813 0.0000 0.0000 34136.7421 -149124.2787 298.1247 -183261.0209 -149034.7153 299.7613 -17.0914 16.8143 557476.8967 5.2940 5.2979 PRESSURE: 2959400 -67.1285 49.644 5.02557 49.6429 114.659 -90.1395 5.02563 -90.1417 -135.348 GPRESSURE: 2959400 -45.5235 21.0619 -46.7574 153.961 153.751 -112.434 -19.5124 -51.923 -85.6345 PRESSAVG: 2959400 -41.1349 -11.5874 41.9303 -11.5875 94.5471 68.4466 41.9303 68.4467 8.82573 GPRESSAVG: 2959400 -40.592 -11.2921 41.8323 -10.5587 93.5571 70.7026 42.3442 70.2891 9.33026 TIMING: 2959400 CPU: 8832.93, 0.00307917/step Wall: 8832.93, 0.00307917/step, 1.74538 hours remaining, 206.082031 MB of memory in use. ENERGY: 2959400 716.9206 2076.9174 1939.0815 109.3348 -205719.0834 17745.6354 0.0000 0.0000 34169.0568 -148962.1369 298.4069 -183131.1936 -148867.4670 300.0581 -29.2725 7.5309 558527.3923 20.7460 20.7651 PRESSURE: 2959600 -262.767 -32.5068 -55.412 -32.5077 -158.857 -28.4369 -55.4126 -28.4384 -38.66 GPRESSURE: 2959600 -185.501 -52.7555 -178.28 -65.5342 -180.019 -54.8506 -35.7193 -57.3877 0.997296 PRESSAVG: 2959600 -86.4816 -51.358 -52.4534 -51.358 41.6921 34.9426 -52.4534 34.9425 66.8796 GPRESSAVG: 2959600 -86.398 -49.2839 -53.1568 -53.3062 43.0387 32.5548 -53.7858 35.0504 65.0874 TIMING: 2959600 CPU: 8833.54, 0.0030632/step Wall: 8833.54, 0.0030632/step, 1.73615 hours remaining, 206.082031 MB of memory in use. ENERGY: 2959600 739.3785 2156.3870 1971.6619 111.4262 -205711.1245 17415.7244 0.0000 0.0000 34308.4680 -149008.0785 299.6244 -183316.5465 -148903.3351 300.2073 -153.4281 -121.5076 556773.3436 7.3633 7.2427 PRESSURE: 2959800 -235.678 40.1068 -86.8578 40.1061 -151.132 -128.107 -86.8581 -128.107 141.536 GPRESSURE: 2959800 -186.874 21.3537 -60.4816 150.923 -111.697 -146.627 -22.686 -120.747 139.867 PRESSAVG: 2959800 -6.0015 28.1961 13.7084 28.1962 -58.9382 -18.0826 13.7084 -18.0825 25.3569 GPRESSAVG: 2959800 -6.31019 28.7053 13.9345 28.045 -58.9552 -17.5906 13.5422 -20.0794 25.9196 TIMING: 2959800 CPU: 8834.16, 0.00307003/step Wall: 8834.16, 0.00307003/step, 1.73985 hours remaining, 206.082031 MB of memory in use. ENERGY: 2959800 772.1632 2065.8410 1925.8120 114.2566 -205894.4739 17685.1897 0.0000 0.0000 34294.8191 -149036.3922 299.5052 -183331.2113 -148935.1841 299.2672 -81.7581 -52.9014 557429.9989 -13.1943 -13.1153 PRESSURE: 2960000 -77.6517 -14.2605 -72.2729 -14.26 -96.1219 -190.393 -72.2731 -190.394 53.5822 GPRESSURE: 2960000 11.063 -127.131 -60.7282 15.7836 -37.5066 -307.823 -36.6047 -77.3542 12.5988 PRESSAVG: 2960000 -0.298409 -13.1697 -3.34337 -13.1697 -9.94209 -3.55105 -3.34344 -3.55105 -2.24316 GPRESSAVG: 2960000 0.217345 -14.0812 -4.14211 -12.8171 -10.5387 -3.5828 -1.31672 -2.63727 -1.58073 TIMING: 2960000 CPU: 8834.77, 0.00306817/step Wall: 8834.77, 0.00306817/step, 1.73863 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: 2960000 745.5461 2090.9969 1938.2233 106.2665 -206245.7367 17847.0142 0.0000 0.0000 34407.9061 -149109.7836 300.4928 -183517.6897 -149011.3283 299.7640 -40.0638 -4.6149 557606.9176 -4.1612 -3.9673 PRESSURE: 2960200 -40.6731 192.035 -95.2241 192.035 -368.899 98.3665 -95.2237 98.3669 -187.988 GPRESSURE: 2960200 55.1136 194.066 -78.1922 182.162 -325.467 71.3371 -111.997 107.134 -228.043 PRESSAVG: 2960200 32.7226 33.2555 3.62291 33.2555 -10.9555 1.90331 3.62299 1.9034 -24.2654 GPRESSAVG: 2960200 31.4276 33.9626 3.04867 32.2794 -9.52092 1.2574 2.41716 2.28736 -24.3595 TIMING: 2960200 CPU: 8835.38, 0.00305196/step Wall: 8835.38, 0.00305196/step, 1.72927 hours remaining, 206.082031 MB of memory in use. ENERGY: 2960200 771.6856 2096.8288 1922.0748 117.2194 -205813.2300 17491.8466 0.0000 0.0000 34318.2409 -149095.3338 299.7097 -183413.5747 -148999.7349 299.7577 -199.1865 -166.1320 557735.5142 -0.8328 -0.8176 LDB: ============= START OF LOAD BALANCING ============== 8838.82 LDB: ============== END OF LOAD BALANCING =============== 8838.82 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8838.82 LDB: ============= START OF LOAD BALANCING ============== 8839.13 LDB: Largest compute 4820 load 0.030500 is 25.8% of average load 0.118047 LDB: Average compute 0.001737 is 1.5% of average load 0.118047 LDB: TIME 8839.13 LOAD: AVG 0.118047 MAX 0.214035 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.906 MB LDB: TIME 8839.13 LOAD: AVG 0.118047 MAX 0.214035 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: TIME 8839.13 LOAD: AVG 0.118047 MAX 0.214035 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8839.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8839.14 PRESSURE: 2960400 236.864 99.3905 18.4964 99.39 222.924 37.587 18.4969 37.5881 -44.6664 GPRESSURE: 2960400 312.039 98.25 -19.8604 147.518 275.587 -46.6187 71.1691 57.1863 -69.857 PRESSAVG: 2960400 26.9763 39.9133 69.1295 39.9134 -23.2626 66.5639 69.1294 66.5638 -26.5282 GPRESSAVG: 2960400 27.752 39.4979 71.3027 43.2729 -23.9715 67.3329 68.7425 67.1113 -26.435 TIMING: 2960400 CPU: 8836.01, 0.00312378/step Wall: 8836.01, 0.00312378/step, 1.76979 hours remaining, 205.867188 MB of memory in use. ENERGY: 2960400 740.5798 2092.8170 1910.8693 108.0395 -206378.5041 18065.1049 0.0000 0.0000 34385.9437 -149075.1500 300.3010 -183461.0937 -148982.4860 299.3521 138.3739 172.5896 557171.9960 -7.6048 -7.5515 PRESSURE: 2960600 -70.435 198.957 44.4782 198.958 16.1641 -19.3302 44.4776 -19.3323 -28.7979 GPRESSURE: 2960600 -38.8208 173.957 -2.14296 166.474 47.6116 6.30792 -21.5557 62.919 25.5178 PRESSAVG: 2960600 -19.7071 31.1387 15.6581 31.1388 29.3984 73.7895 15.658 73.7896 -12.6709 GPRESSAVG: 2960600 -19.2813 31.7492 14.2807 27.65 29.1296 74.7944 16.0532 74.1043 -12.5534 TIMING: 2960600 CPU: 8836.62, 0.00305067/step Wall: 8836.62, 0.00305067/step, 1.72821 hours remaining, 206.070312 MB of memory in use. ENERGY: 2960600 758.9774 2133.1167 1912.6396 99.7633 -206091.1542 17760.3748 0.0000 0.0000 34417.2843 -149008.9981 300.5747 -183426.2824 -148907.5129 299.6635 -27.6896 11.4362 556151.2482 -0.9932 -0.9017 PRESSURE: 2960800 -201.719 -45.1624 171.143 -45.1616 6.00204 -13.0388 171.143 -13.0375 -278.321 GPRESSURE: 2960800 -166.923 -114.639 167.691 -74.6267 -16.6434 1.30247 199.063 -44.1957 -200.696 PRESSAVG: 2960800 -40.5309 33.2214 -33.1938 33.2214 62.2205 -17.2913 -33.1938 -17.2912 -63.3179 GPRESSAVG: 2960800 -41.3252 30.7124 -30.8052 36.2087 62.1949 -18.4192 -34.3889 -18.2803 -62.132 TIMING: 2960800 CPU: 8837.22, 0.00302835/step Wall: 8837.22, 0.00302835/step, 1.71539 hours remaining, 206.070312 MB of memory in use. ENERGY: 2960800 783.7163 2047.8073 1932.4802 115.8466 -205800.0336 17677.7885 0.0000 0.0000 34284.8245 -148957.5701 299.4179 -183242.3946 -148858.1918 299.3224 -158.0127 -128.0876 559044.9945 -13.8761 -13.7541 PRESSURE: 2961000 -201.248 -55.2246 32.7932 -55.224 -198.36 -19.5329 32.7925 -19.5311 -206.203 GPRESSURE: 2961000 -110.675 -68.6775 84.8118 -24.0342 -151.745 -36.4399 73.8355 34.2245 -245.856 PRESSAVG: 2961000 -17.5479 60.2 25.7436 60.2 45.2267 -11.3525 25.7435 -11.3526 -13.1865 GPRESSAVG: 2961000 -16.9558 61.9088 23.5529 58.9869 46.3255 -10.9009 27.2202 -10.4453 -14.2276 TIMING: 2961000 CPU: 8837.83, 0.003044/step Wall: 8837.83, 0.003044/step, 1.72409 hours remaining, 206.070312 MB of memory in use. ENERGY: 2961000 765.1686 2106.8976 1933.5470 99.5836 -205979.5572 17705.6826 0.0000 0.0000 34507.5644 -148861.1135 301.3631 -183368.6779 -148767.7243 300.2937 -201.9372 -169.4256 558761.0046 4.8308 5.0474 PRESSURE: 2961200 117.884 -110.491 -123.831 -110.491 -107.268 -34.699 -123.832 -34.6996 -139.539 GPRESSURE: 2961200 123.074 -70.2315 -119.289 -51.6293 -113.451 -44.3012 -86.6485 -13.5521 -32.5512 PRESSAVG: 2961200 39.9048 -31.9581 72.4312 -31.958 24.4238 6.44725 72.4311 6.44712 -87.1831 GPRESSAVG: 2961200 39.8138 -31.8641 71.157 -32.1204 24.6547 8.00805 73.5075 5.49393 -86.9222 TIMING: 2961200 CPU: 8838.44, 0.00302661/step Wall: 8838.44, 0.00302661/step, 1.71407 hours remaining, 206.070312 MB of memory in use. ENERGY: 2961200 778.3482 2016.3145 1942.4512 111.4628 -205807.7166 17827.4429 0.0000 0.0000 34257.5613 -148874.1357 299.1798 -183131.6970 -148772.0175 299.7029 -42.9746 -7.6428 557845.8368 -7.6182 -7.4846 PRESSURE: 2961400 -16.6206 90.314 -244.822 90.3141 -107.273 96.1449 -244.824 96.1437 -63.1338 GPRESSURE: 2961400 30.8776 1.34928 -223.319 59.9226 -49.8409 -45.7186 -326.077 38.4626 -67.1261 PRESSAVG: 2961400 15.5021 28.3668 -38.1776 28.3667 34.8891 12.338 -38.1777 12.3379 -80.7173 GPRESSAVG: 2961400 16.405 27.0286 -36.6776 28.3755 34.2534 11.9072 -40.4827 12.1746 -80.6309 TIMING: 2961400 CPU: 8839.04, 0.003038/step Wall: 8839.04, 0.003038/step, 1.72035 hours remaining, 206.070312 MB of memory in use. ENERGY: 2961400 763.4585 2059.0402 1948.0196 116.7500 -205832.6161 17727.5480 0.0000 0.0000 34341.2751 -148876.5247 299.9109 -183217.7998 -148779.1894 300.6820 -62.3424 -28.6965 559528.5290 -10.1087 -9.9908 PRESSURE: 2961600 38.0197 67.2337 -16.3004 67.2339 55.0048 -96.8087 -16.2999 -96.8088 96.2094 GPRESSURE: 2961600 26.7539 73.1221 -60.2257 -71.6219 118.736 -95.0658 -29.8031 -95.5349 135.772 PRESSAVG: 2961600 -59.4304 1.17496 -18.3563 1.17497 47.5245 35.9121 -18.3563 35.9122 26.1921 GPRESSAVG: 2961600 -60.1024 3.94032 -17.0951 -1.63109 47.9213 33.3905 -18.2315 37.4005 26.4571 TIMING: 2961600 CPU: 8839.65, 0.00300714/step Wall: 8839.65, 0.00300714/step, 1.70271 hours remaining, 206.070312 MB of memory in use. ENERGY: 2961600 731.6492 2061.7272 1967.1971 113.5799 -206100.0273 17775.1816 0.0000 0.0000 34236.2652 -149214.4273 298.9938 -183450.6925 -149118.9504 299.6509 63.0779 93.7540 556628.8289 4.7621 4.7587 PRESSURE: 2961800 87.7775 -72.7407 -67.9713 -72.7408 192.729 -66.1734 -67.9716 -66.1727 91.5752 GPRESSURE: 2961800 147.588 -9.68813 31.4867 -51.7275 218.946 -167.622 -119.379 -0.401116 106.56 PRESSAVG: 2961800 -23.8131 -51.81 -20.0063 -51.81 14.7234 -71.9853 -20.0063 -71.9853 -4.64215 GPRESSAVG: 2961800 -23.6323 -53.6085 -22.5829 -51.0846 13.6555 -72.6808 -17.4279 -71.6677 -3.76752 TIMING: 2961800 CPU: 8840.26, 0.00305652/step Wall: 8840.26, 0.00305652/step, 1.7305 hours remaining, 206.070312 MB of memory in use. ENERGY: 2961800 772.7090 2099.2683 1933.1744 130.3391 -206485.6651 18010.1755 0.0000 0.0000 34334.6539 -149205.3450 299.8531 -183539.9989 -149107.5469 299.5136 124.0272 157.6978 556399.7655 -4.5773 -4.5815 PRESSURE: 2962000 357.782 -14.3607 -23.9957 -14.3585 160.08 -64.2839 -23.9948 -64.2848 105.399 GPRESSURE: 2962000 343.33 -40.8226 -15.8399 51.4588 199.336 9.04204 -85.4336 -187.428 179.413 PRESSAVG: 2962000 -9.46658 -52.5223 44.4825 -52.5223 55.3173 -100.599 44.4823 -100.599 -18.4228 GPRESSAVG: 2962000 -9.9319 -50.7947 45.5906 -52.384 56.6254 -98.3076 42.1715 -101.661 -19.1689 TIMING: 2962000 CPU: 8840.87, 0.0030645/step Wall: 8840.87, 0.0030645/step, 1.73485 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: 2962000 757.5947 2088.0298 1941.0827 110.4208 -205930.7996 17833.5443 0.0000 0.0000 34359.1089 -148841.0184 300.0666 -183200.1272 -148745.7617 300.4684 207.7535 240.6931 556177.3024 9.1426 9.1749 PRESSURE: 2962200 -16.872 134.429 -95.699 134.428 -17.5334 -52.3325 -95.6996 -52.3342 -282.124 GPRESSURE: 2962200 10.9355 197.436 -70.5031 123.992 38.1194 -115.8 -102.773 -11.2762 -262.498 PRESSAVG: 2962200 3.69454 23.6385 -40.7911 23.6385 25.2656 -25.5601 -40.791 -25.56 -61.6833 GPRESSAVG: 2962200 3.97497 23.2063 -40.1965 23.0303 25.6748 -27.0041 -38.817 -24.5055 -62.459 TIMING: 2962200 CPU: 8841.49, 0.00307961/step Wall: 8841.49, 0.00307961/step, 1.74323 hours remaining, 206.070312 MB of memory in use. ENERGY: 2962200 758.6328 2100.1472 1955.9636 116.8009 -205666.7140 17510.8234 0.0000 0.0000 34211.3045 -149013.0415 298.7758 -183224.3460 -148920.2028 299.9943 -105.5098 -71.1478 557858.8713 -10.9077 -10.9364 PRESSURE: 2962400 -305.5 188.291 -120.624 188.29 -202.461 42.3629 -120.624 42.3626 -124.875 GPRESSURE: 2962400 -268.299 202.056 -158.994 133.561 -158.941 40.1008 -74.1164 7.85561 -116.908 PRESSAVG: 2962400 4.42878 -19.2038 -65.1805 -19.2038 71.5265 40.1896 -65.1806 40.1896 -98.8618 GPRESSAVG: 2962400 4.44433 -20.8177 -64.1106 -19.518 70.952 41.5619 -66.4019 38.4343 -98.6419 TIMING: 2962400 CPU: 8842.09, 0.00303079/step Wall: 8842.09, 0.00303079/step, 1.71543 hours remaining, 206.070312 MB of memory in use. ENERGY: 2962400 744.6493 2048.1938 1985.6264 113.9210 -205809.9091 17295.7795 0.0000 0.0000 34463.5308 -149158.2083 300.9786 -183621.7391 -149061.0622 299.5853 -210.9453 -181.3827 557863.6995 -7.6355 -7.7485 PRESSURE: 2962600 -40.7668 -63.4594 28.0554 -63.4598 -110.062 -9.46609 28.0554 -9.46865 113.245 GPRESSURE: 2962600 9.34517 -27.9765 -32.369 17.0843 -83.129 4.11937 20.3231 47.7645 142.863 PRESSAVG: 2962600 -10.2208 24.6905 0.33464 24.6905 21.9642 20.6068 0.334582 20.6067 15.0626 GPRESSAVG: 2962600 -9.7738 24.8148 -0.905843 26.6664 22.4452 18.7592 0.569832 21.8486 13.8756 TIMING: 2962600 CPU: 8842.7, 0.00304613/step Wall: 8842.7, 0.00304613/step, 1.72394 hours remaining, 206.070312 MB of memory in use. ENERGY: 2962600 753.8422 2073.4819 1974.6846 115.2925 -206268.0799 17946.4670 0.0000 0.0000 34315.4039 -149088.9078 299.6850 -183404.3117 -148994.5698 299.0352 -12.5278 23.0263 559315.6643 8.9353 8.8490 PRESSURE: 2962800 -34.6952 -32.7638 -60.1523 -32.764 -442.925 117.769 -60.1526 117.77 134.51 GPRESSURE: 2962800 35.0704 7.74281 -102.017 -80.6394 -455.018 136.806 -43.7851 104.634 165.377 PRESSAVG: 2962800 50.4517 -19.8746 43.5511 -19.8746 -51.994 7.53676 43.5512 7.53672 -23.7123 GPRESSAVG: 2962800 48.8134 -19.527 44.5878 -18.8679 -51.5282 7.74751 43.1571 8.15363 -22.3923 TIMING: 2962800 CPU: 8843.31, 0.00302462/step Wall: 8843.31, 0.00302462/step, 1.7116 hours remaining, 206.070312 MB of memory in use. ENERGY: 2962800 783.1148 2079.9976 1952.6414 116.5022 -206051.2604 17761.6847 0.0000 0.0000 34059.7985 -149297.5212 297.4527 -183357.3198 -149194.9509 299.6509 -114.3699 -84.8570 558870.8144 -8.4182 -8.3690 PRESSURE: 2963000 59.3592 -92.8962 127.072 -92.8965 -39.7766 45.6669 127.072 45.6658 12.746 GPRESSURE: 2963000 108.204 -50.7056 158.62 -144.96 -57.3896 135.119 96.4248 28.4834 72.8155 PRESSAVG: 2963000 33.9424 -3.15244 26.8792 -3.15237 -59.9537 -10.4078 26.8793 -10.4079 19.6851 GPRESSAVG: 2963000 36.6737 -2.99208 26.1939 -5.31283 -62.4218 -6.68533 28.6677 -14.8852 19.4773 TIMING: 2963000 CPU: 8843.91, 0.00301861/step Wall: 8843.91, 0.00301861/step, 1.70803 hours remaining, 206.070312 MB of memory in use. ENERGY: 2963000 736.3688 2096.2970 1935.7005 142.2959 -206150.8585 17927.1573 0.0000 0.0000 34221.8946 -149091.1444 298.8683 -183313.0390 -148999.7598 299.0943 10.7762 41.2099 559246.5265 -2.1088 -2.0902 PRESSURE: 2963200 -157.531 136.084 101.906 136.083 146.49 46.1936 101.906 46.1953 -62.8743 GPRESSURE: 2963200 -100.216 134.878 91.4719 73.6446 143.736 37.0272 86.5772 51.5794 -15.5956 PRESSAVG: 2963200 -6.74955 -16.6215 34.5788 -16.6215 -30.7363 -29.2541 34.5789 -29.2541 15.4705 GPRESSAVG: 2963200 -8.15482 -16.1001 33.5888 -15.9308 -29.8567 -31.3712 34.8804 -25.5012 15.5025 TIMING: 2963200 CPU: 8844.52, 0.00302557/step Wall: 8844.52, 0.00302557/step, 1.7118 hours remaining, 206.070312 MB of memory in use. ENERGY: 2963200 742.8721 2074.0147 1927.4821 115.9208 -206069.6321 17775.0760 0.0000 0.0000 34245.6691 -149188.5973 299.0759 -183434.2664 -149086.8823 299.2597 -24.6386 9.3079 557679.2893 -7.3385 -7.5030 PRESSURE: 2963400 -20.5116 136.076 -6.70031 136.078 -269.431 -75.4872 -6.6991 -75.4858 -219.103 GPRESSURE: 2963400 45.4252 143.566 -1.65544 97.7189 -230.852 -38.3151 -8.56777 -83.2247 -223.517 PRESSAVG: 2963400 34.6239 -41.1861 -7.05504 -41.1862 65.0528 2.26945 -7.05497 2.26945 -75.4463 GPRESSAVG: 2963400 33.8152 -43.7516 -4.75772 -40.3319 65.2155 3.20732 -8.02636 -1.22117 -74.7891 TIMING: 2963400 CPU: 8845.12, 0.00304317/step Wall: 8845.12, 0.00304317/step, 1.72159 hours remaining, 206.070312 MB of memory in use. ENERGY: 2963400 736.6255 2075.8962 1937.6104 117.6251 -206418.1611 17751.7016 0.0000 0.0000 34571.6966 -149227.0058 301.9232 -183798.7024 -149130.3845 299.5836 -169.6819 -136.3145 559464.1602 8.0768 8.0805 PRESSURE: 2963600 32.4576 181.074 47.4957 181.076 -181.659 -10.8688 47.4947 -10.8688 -417.831 GPRESSURE: 2963600 39.0196 162.98 47.1987 139.68 -155.757 -36.9333 40.9434 -4.33912 -358.769 PRESSAVG: 2963600 47.2568 -9.84942 -5.12573 -9.84951 -0.340176 -32.3661 -5.12576 -32.3662 -75.0863 GPRESSAVG: 2963600 48.608 -6.80138 -4.79984 -11.9511 0.338371 -35.179 -6.01157 -29.2078 -76.9826 TIMING: 2963600 CPU: 8845.73, 0.00302221/step Wall: 8845.73, 0.00302221/step, 1.70956 hours remaining, 206.070312 MB of memory in use. ENERGY: 2963600 773.2077 2113.0955 1913.4120 109.8895 -205914.9737 17508.3168 0.0000 0.0000 34170.5385 -149326.5137 298.4198 -183497.0521 -149221.6103 299.1359 -189.0108 -158.5022 558709.0548 -9.3899 -9.3454 PRESSURE: 2963800 175.312 38.8648 55.727 38.865 53.1665 -236.547 55.7267 -236.546 -56.8141 GPRESSURE: 2963800 171.886 73.3592 13.4469 53.3979 66.6579 -286.172 29.8035 -151.221 25.0452 PRESSAVG: 2963800 99.3279 -10.4665 22.489 -10.4664 -19.7152 -45.4384 22.489 -45.4383 -101.815 GPRESSAVG: 2963800 98.8895 -10.2303 21.0212 -9.65911 -18.7192 -44.8405 21.6335 -44.8184 -102.184 TIMING: 2963800 CPU: 8846.33, 0.00300851/step Wall: 8846.33, 0.00300851/step, 1.70165 hours remaining, 206.070312 MB of memory in use. ENERGY: 2963800 719.8013 2086.9743 1919.6052 114.0421 -206545.8571 18055.6596 0.0000 0.0000 34214.3580 -149435.4166 298.8025 -183649.7746 -149332.8552 298.3573 57.2214 87.8631 557414.4405 -7.4006 -7.3379 PRESSURE: 2964000 75.077 15.8887 125.814 15.888 97.4399 -120.821 125.815 -120.821 -62.7074 GPRESSURE: 2964000 195.604 37.5083 64.6269 23.7591 37.5939 -51.1959 141.514 -76.4171 -22.0012 PRESSAVG: 2964000 28.8538 -8.41854 -26.8518 -8.41853 -2.27118 13.035 -26.8518 13.0348 -51.187 GPRESSAVG: 2964000 29.1124 -9.9452 -25.8425 -9.23683 -3.50194 12.5937 -25.3561 12.6706 -49.4226 TIMING: 2964000 CPU: 8846.93, 0.00301266/step Wall: 8846.93, 0.00301266/step, 1.70382 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: 2964000 755.5035 2111.1605 1944.6816 112.6545 -206558.0625 17976.6415 0.0000 0.0000 34361.9987 -149295.4223 300.0919 -183657.4210 -149198.9177 298.7748 36.6032 70.3990 557075.7953 -8.2014 -7.9374 PRESSURE: 2964200 123.923 99.7739 18.9304 99.7732 -92.9737 -24.3371 18.9308 -24.3371 -113.572 GPRESSURE: 2964200 149.088 79.8391 61.793 146.818 -37.9244 -13.8566 -11.995 -73.0679 -111.497 PRESSAVG: 2964200 -37.8415 45.057 -38.4147 45.057 44.8344 -5.99728 -38.4147 -5.9973 10.4953 GPRESSAVG: 2964200 -37.7849 47.0352 -41.6844 44.5469 45.2405 -4.95721 -38.3035 -8.10898 9.71963 TIMING: 2964200 CPU: 8847.54, 0.00303748/step Wall: 8847.54, 0.00303748/step, 1.71769 hours remaining, 206.070312 MB of memory in use. ENERGY: 2964200 697.9483 2032.0061 1922.9599 116.0469 -206060.0978 17734.6197 0.0000 0.0000 34141.9674 -149414.5495 298.1703 -183556.5169 -149308.8622 298.4963 -27.5408 -0.1112 556861.4743 5.8294 5.7251 LDB: ============= START OF LOAD BALANCING ============== 8850.97 LDB: ============== END OF LOAD BALANCING =============== 8850.97 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8850.97 LDB: ============= START OF LOAD BALANCING ============== 8851.28 LDB: Largest compute 4820 load 0.032039 is 27.1% of average load 0.118082 LDB: Average compute 0.001735 is 1.5% of average load 0.118082 LDB: TIME 8851.28 LOAD: AVG 0.118082 MAX 0.210585 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 8851.28 LOAD: AVG 0.118082 MAX 0.210585 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.129 MB LDB: TIME 8851.28 LOAD: AVG 0.118082 MAX 0.210585 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.129 MB LDB: ============== END OF LOAD BALANCING =============== 8851.28 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8851.29 PRESSURE: 2964400 448.551 4.43256 40.7786 4.43323 13.3139 -22.5571 40.7797 -22.5574 -270.954 GPRESSURE: 2964400 387.709 54.9452 28.9298 -46.1874 76.4268 -15.7458 4.38806 -66.6635 -174.969 PRESSAVG: 2964400 52.1765 27.9999 -19.867 28 13.0626 -41.2997 -19.8671 -41.2995 -69.9248 GPRESSAVG: 2964400 51.0865 27.7145 -19.9264 28.319 14.4227 -41.6537 -17.8518 -41.0903 -69.8555 TIMING: 2964400 CPU: 8848.16, 0.00309573/step Wall: 8848.16, 0.00309573/step, 1.75046 hours remaining, 206.449219 MB of memory in use. ENERGY: 2964400 689.3108 2077.6203 1926.4724 119.8250 -205950.1554 17782.3480 0.0000 0.0000 34121.6667 -149232.9122 297.9930 -183354.5789 -149134.8573 298.3405 63.6372 96.3888 558705.3410 -1.5619 -1.4488 PRESSURE: 2964600 -47.0616 -22.2787 50.7321 -22.2794 26.6064 52.6524 50.7316 52.6508 72.5525 GPRESSURE: 2964600 -24.336 -126.066 -22.3824 -77.2566 49.5056 57.6334 57.0828 52.0612 126.782 PRESSAVG: 2964600 -23.0171 30.9178 9.68798 30.9178 48.7017 -22.4034 9.68791 -22.4035 1.03816 GPRESSAVG: 2964600 -22.8545 30.1341 10.5303 31.183 48.6161 -22.0686 8.07057 -22.1303 1.33721 TIMING: 2964600 CPU: 8848.77, 0.00304746/step Wall: 8848.77, 0.00304746/step, 1.723 hours remaining, 206.449219 MB of memory in use. ENERGY: 2964600 737.0221 2060.7402 1938.5970 102.5550 -206023.0338 17909.2595 0.0000 0.0000 34135.9782 -149138.8817 298.1180 -183274.8599 -149039.1201 299.0527 17.3658 50.6506 557505.2197 8.9076 9.0329 PRESSURE: 2964800 109.33 -3.00147 -36.7498 -3.00295 -308.282 217.198 -36.751 217.198 -20.5586 GPRESSURE: 2964800 156.185 0.662888 -16.9559 3.57072 -282.24 188.65 -59.9443 284.516 5.74148 PRESSAVG: 2964800 -61.7717 -70.1586 -8.1029 -70.1587 1.52199 50.5596 -8.10291 50.5595 38.0091 GPRESSAVG: 2964800 -61.0278 -70.7701 -6.13174 -70.0468 0.864427 51.1636 -7.63847 51.1095 37.6814 TIMING: 2964800 CPU: 8849.38, 0.00304915/step Wall: 8849.38, 0.00304915/step, 1.72379 hours remaining, 206.449219 MB of memory in use. ENERGY: 2964800 771.6603 2051.6404 1929.9201 119.3125 -205321.0894 17411.1011 0.0000 0.0000 34104.7305 -148932.7244 297.8451 -183037.4549 -148828.8518 299.3149 -73.1703 -40.1046 557685.2881 -7.4135 -7.4940 PRESSURE: 2965000 35.2311 47.9428 -165.011 47.9426 -6.89132 38.9988 -165.011 39.0002 -139.111 GPRESSURE: 2965000 -2.61991 81.8091 -96.4155 -11.7559 51.4296 -30.285 -233.765 80.6588 -61.449 PRESSAVG: 2965000 -65.5887 13.9113 -1.69852 13.9113 -34.8691 46.5783 -1.6986 46.5785 80.8582 GPRESSAVG: 2965000 -66.2632 14.9093 -2.41135 12.1017 -34.3662 43.9664 -1.68195 47.8557 81.0479 TIMING: 2965000 CPU: 8849.99, 0.0030573/step Wall: 8849.99, 0.0030573/step, 1.72822 hours remaining, 206.449219 MB of memory in use. ENERGY: 2965000 748.4952 2022.2989 1944.1257 110.2909 -206043.5536 17791.1128 0.0000 0.0000 34276.4741 -149150.7559 299.3450 -183427.2301 -149051.9636 299.7579 -36.9238 -4.2131 557935.3294 -6.5332 -6.5272 PRESSURE: 2965200 -302.637 112.135 180.467 112.134 -11.7955 -191.06 180.467 -191.058 40.8797 GPRESSURE: 2965200 -256.688 44.5558 160.418 137.4 18.2577 -180.739 179.013 -130.636 74.0812 PRESSAVG: 2965200 -92.3889 32.7668 -57.7313 32.7668 52.4165 -87.327 -57.7313 -87.327 40.0887 GPRESSAVG: 2965200 -92.4801 32.1894 -58.1117 32.2247 52.4094 -86.7997 -57.9298 -88.4582 40.0441 TIMING: 2965200 CPU: 8850.6, 0.00306228/step Wall: 8850.6, 0.00306228/step, 1.73087 hours remaining, 206.449219 MB of memory in use. ENERGY: 2965200 736.3759 2114.1233 1941.5417 114.0180 -206192.9310 17754.4398 0.0000 0.0000 34302.1657 -149230.2665 299.5693 -183532.4323 -149137.6455 299.8818 -91.1842 -54.7830 557995.4567 0.0388 -0.0089 PRESSURE: 2965400 -47.4143 -37.2751 145.133 -37.275 66.0765 70.4749 145.133 70.4736 -55.0208 GPRESSURE: 2965400 -12.1988 -33.1995 84.0062 48.9532 136.931 -15.3391 127.442 132.446 -67.1567 PRESSAVG: 2965400 -31.231 -12.9866 34.9068 -12.9865 -5.45052 -26.9099 34.9068 -26.91 13.0014 GPRESSAVG: 2965400 -30.5087 -13.135 32.9668 -11.6782 -6.38061 -25.6361 34.8986 -25.9169 13.44 TIMING: 2965400 CPU: 8851.22, 0.00306672/step Wall: 8851.22, 0.00306672/step, 1.73321 hours remaining, 206.449219 MB of memory in use. ENERGY: 2965400 735.0330 2089.5963 1951.8531 103.8271 -206346.4345 17812.5091 0.0000 0.0000 34285.6281 -149367.9878 299.4249 -183653.6159 -149267.8525 299.4403 -12.1196 19.1918 556663.8186 -7.8934 -7.8164 PRESSURE: 2965600 -46.9964 -64.8948 -165.02 -64.897 -10.4848 -113.903 -165.019 -113.903 -174.009 GPRESSURE: 2965600 -30.7557 -127.064 -159.152 -92.4906 21.0783 -171.584 -146.762 -82.9029 -126.515 PRESSAVG: 2965600 10.0464 9.57403 14.418 9.57409 23.3178 19.4427 14.418 19.4426 -2.52917 GPRESSAVG: 2965600 9.91471 7.89942 16.1318 11.5522 23.3179 20.7368 15.3309 16.8874 -2.52521 TIMING: 2965600 CPU: 8851.83, 0.00306891/step Wall: 8851.83, 0.00306891/step, 1.73428 hours remaining, 206.449219 MB of memory in use. ENERGY: 2965600 761.9459 2088.4974 1944.2738 121.7460 -205914.1614 17466.4003 0.0000 0.0000 34326.5783 -149204.7197 299.7825 -183531.2980 -149106.0243 299.8559 -77.1634 -45.3975 557014.4385 10.2783 10.2358 PRESSURE: 2965800 -110.011 -143.73 -69.9313 -143.73 -276.437 7.06264 -69.931 7.06303 -83.3599 GPRESSURE: 2965800 -79.8339 -181.681 -37.7079 -152.438 -207.691 34.9618 -76.523 3.72363 -82.0061 PRESSAVG: 2965800 -16.8029 -65.2007 -35.4531 -65.2008 3.72091 6.63479 -35.453 6.63467 -28.1947 GPRESSAVG: 2965800 -16.4741 -62.7005 -37.1577 -66.5627 3.63037 5.71012 -36.0682 7.17805 -29.371 TIMING: 2965800 CPU: 8852.44, 0.00306325/step Wall: 8852.44, 0.00306325/step, 1.73091 hours remaining, 206.449219 MB of memory in use. ENERGY: 2965800 749.5666 2084.2996 1948.5759 101.8214 -206010.7753 17643.9724 0.0000 0.0000 34407.5420 -149074.9974 300.4896 -183482.5395 -148979.9143 300.0723 -156.6026 -123.1771 558063.3199 -13.7589 -14.0716 PRESSURE: 2966000 -48.9917 -13.511 67.4619 -13.5119 125.794 160.394 67.4623 160.393 51.9936 GPRESSURE: 2966000 46.7501 44.4184 66.4645 -49.3495 106.048 134.136 87.7481 194.915 60.6803 PRESSAVG: 2966000 40.0932 -24.284 15.047 -24.284 -20.5582 39.6869 15.047 39.6869 41.4745 GPRESSAVG: 2966000 39.7509 -24.2416 16.9094 -24.6146 -20.3461 39.535 15.0223 40.6311 41.2695 TIMING: 2966000 CPU: 8853.06, 0.00307025/step Wall: 8853.06, 0.00307025/step, 1.73469 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: 2966000 699.7523 2082.0940 1930.0833 107.9360 -205687.8146 17657.8852 0.0000 0.0000 34116.3906 -149093.6731 297.9469 -183210.0638 -148996.1139 299.6390 42.9321 71.1595 556573.5927 20.3365 20.2248 PRESSURE: 2966200 294.612 172.847 34.917 172.847 -74.6131 -146.252 34.9172 -146.251 -32.642 GPRESSURE: 2966200 271.92 165.642 17.9676 181.315 50.1662 -140.133 -17.467 -180.175 -32.9623 PRESSAVG: 2966200 48.8581 30.399 57.1141 30.399 36.974 47.4106 57.1142 47.4105 -47.3808 GPRESSAVG: 2966200 49.0612 29.3661 55.4448 29.3935 36.5634 46.4897 57.6004 47.1379 -47.1624 TIMING: 2966200 CPU: 8853.67, 0.00308212/step Wall: 8853.67, 0.00308212/step, 1.74122 hours remaining, 206.449219 MB of memory in use. ENERGY: 2966200 689.7956 2035.2829 1975.2723 121.3316 -206040.1451 17815.4901 0.0000 0.0000 34298.3871 -149104.5854 299.5363 -183402.9725 -149007.7551 299.0431 62.4524 96.3747 557636.6586 12.8171 12.8207 PRESSURE: 2966400 -70.2214 -28.3411 55.6208 -28.3411 53.2055 52.6954 55.6219 52.695 -46.7608 GPRESSURE: 2966400 -11.536 -24.4219 55.0845 -73.2585 99.5426 107.104 40.6403 68.6697 -68.184 PRESSAVG: 2966400 18.0703 128.27 28.1118 128.27 -20.0471 54.4218 28.1118 54.4218 -5.32556 GPRESSAVG: 2966400 17.3761 128.855 29.0992 127.938 -19.8836 54.5049 27.5928 55.055 -4.80039 TIMING: 2966400 CPU: 8854.28, 0.00304868/step Wall: 8854.28, 0.00304868/step, 1.72217 hours remaining, 206.449219 MB of memory in use. ENERGY: 2966400 764.1938 2050.3881 1947.6233 111.2536 -205691.4835 17673.1625 0.0000 0.0000 33983.6597 -149161.2026 296.7878 -183144.8622 -149069.2037 298.9887 -21.2589 6.6075 558490.5569 -2.4341 -2.4360 PRESSURE: 2966600 72.0837 -28.8736 53.79 -28.8739 4.30384 -88.8591 53.79 -88.8578 84.5534 GPRESSURE: 2966600 96.8783 -59.3743 144.175 9.07056 18.9375 -110.202 -17.2994 -31.4377 143.94 PRESSAVG: 2966600 -31.1199 39.7412 22.1533 39.7413 38.2814 -16.9436 22.1534 -16.9436 35.1146 GPRESSAVG: 2966600 -30.4674 39.9732 24.4085 39.2049 37.74 -15.8613 23.2463 -18.3168 34.6879 TIMING: 2966600 CPU: 8854.89, 0.00302874/step Wall: 8854.89, 0.00302874/step, 1.71073 hours remaining, 206.449219 MB of memory in use. ENERGY: 2966600 738.8518 2080.8387 1914.0881 113.1895 -206243.2423 17903.8029 0.0000 0.0000 34527.2615 -148965.2099 301.5352 -183492.4714 -148858.5313 299.1150 53.6470 86.5852 558053.1729 14.0921 13.9868 PRESSURE: 2966800 -453.555 31.7181 -49.2537 31.7183 -60.5725 180.705 -49.2537 180.704 -189.497 GPRESSURE: 2966800 -414.608 43.7352 -52.6104 -56.5906 -35.3071 98.3786 -36.0669 174.345 -146.308 PRESSAVG: 2966800 55.5194 -10.9887 14.5099 -10.9886 -102.696 36.3189 14.5098 36.3188 -9.98587 GPRESSAVG: 2966800 54.5395 -12.2325 12.1001 -7.97339 -102.689 36.5692 13.6938 38.6428 -9.54237 TIMING: 2966800 CPU: 8855.5, 0.00305075/step Wall: 8855.5, 0.00305075/step, 1.72299 hours remaining, 206.449219 MB of memory in use. ENERGY: 2966800 753.4770 2080.2320 1917.1182 99.2118 -205492.4671 17412.7881 0.0000 0.0000 34328.7966 -148900.8434 299.8019 -183229.6401 -148800.5504 299.9682 -234.5415 -198.7413 558975.3441 -19.0543 -19.2306 PRESSURE: 2967000 233.146 35.6789 125.85 35.6788 552.587 34.3161 125.851 34.3164 -21.8095 GPRESSURE: 2967000 306.931 61.2703 99.4351 70.2716 558.71 -7.68094 73.2147 104.346 -18.3784 PRESSAVG: 2967000 21.8692 -65.1148 -1.19628 -65.1147 102.136 57.6651 -1.19632 57.665 -79.3734 GPRESSAVG: 2967000 22.6504 -64.5767 -2.70675 -67.713 102.413 57.6938 0.704277 55.4687 -80.5133 TIMING: 2967000 CPU: 8856.11, 0.00304542/step Wall: 8856.11, 0.00304542/step, 1.71981 hours remaining, 206.449219 MB of memory in use. ENERGY: 2967000 722.1566 2158.1007 1928.7277 104.1352 -206522.0362 18213.1062 0.0000 0.0000 34488.7959 -148907.0139 301.1992 -183395.8098 -148809.2542 300.1679 254.6414 282.4212 558115.9793 14.8773 14.8499 PRESSURE: 2967200 -244.377 75.4515 39.1157 75.4511 282.268 134.839 39.1142 134.84 64.7477 GPRESSURE: 2967200 -237.389 119.965 -83.5642 47.7829 353.332 75.3514 82.1264 160.401 95.3005 PRESSAVG: 2967200 7.3744 3.39317 15.4785 3.39307 42.5732 5.37095 15.4785 5.37106 3.97942 GPRESSAVG: 2967200 6.51212 4.98536 17.4087 3.6325 42.7857 7.02759 13.011 5.21843 4.10665 TIMING: 2967200 CPU: 8856.72, 0.00304399/step Wall: 8856.72, 0.00304399/step, 1.71884 hours remaining, 206.449219 MB of memory in use. ENERGY: 2967200 747.3750 2077.7659 1955.5177 113.0393 -206250.6644 17846.1789 0.0000 0.0000 34482.6575 -149028.1301 301.1456 -183510.7876 -148925.0061 300.6837 34.2128 70.4147 556418.0152 17.9757 17.8015 PRESSURE: 2967400 -222.548 -162.673 45.835 -162.675 32.9803 -55.0222 45.8349 -55.0193 222.925 GPRESSURE: 2967400 -176.231 -146 -7.37559 -165.775 79.7168 -99.3413 104.636 -107.393 233.089 PRESSAVG: 2967400 -80.6429 -7.45788 -21.0729 -7.45793 42.2504 38.6838 -21.0728 38.6838 59.9474 GPRESSAVG: 2967400 -80.2204 -10.5652 -21.0117 -5.52597 41.4942 36.8245 -18.807 40.4134 59.6246 TIMING: 2967400 CPU: 8857.33, 0.00306148/step Wall: 8857.33, 0.00306148/step, 1.72855 hours remaining, 206.449219 MB of memory in use. ENERGY: 2967400 701.3102 2123.1184 1942.8919 122.1258 -206152.5811 17838.0536 0.0000 0.0000 34308.2163 -149116.8649 299.6222 -183425.0812 -149020.0614 299.6219 11.1188 45.5250 557456.7717 7.1850 6.9661 PRESSURE: 2967600 -1.17862 -22.4047 194.673 -22.4053 -48.123 101.323 194.672 101.323 -140.777 GPRESSURE: 2967600 20.0716 26.2854 223.332 -37.9968 -5.69808 39.8764 156.577 100.789 -101.278 PRESSAVG: 2967600 -9.43519 28.8572 36.3349 28.8571 -5.29742 -59.2996 36.3348 -59.2995 -6.93432 GPRESSAVG: 2967600 -9.09974 31.0044 36.9002 27.2797 -6.56463 -57.586 34.749 -61.2498 -5.81647 TIMING: 2967600 CPU: 8857.94, 0.00304776/step Wall: 8857.94, 0.00304776/step, 1.72063 hours remaining, 206.449219 MB of memory in use. ENERGY: 2967600 762.8473 2108.0762 1936.3000 119.0909 -206422.4043 17870.5962 0.0000 0.0000 34375.8287 -149249.6650 300.2127 -183625.4938 -149143.3539 299.6679 -63.3596 -28.9681 557311.5659 -7.2223 -7.1603 PRESSURE: 2967800 -84.2408 251.738 -93.2798 251.738 -132.782 -65.4597 -93.2803 -65.4593 -69.475 GPRESSURE: 2967800 -67.6349 269.318 -80.245 171.567 -111.995 -112.521 -99.689 -23.3777 -22.4376 PRESSAVG: 2967800 41.9237 5.6558 20.5072 5.65567 38.7934 -64.551 20.5072 -64.5511 -35.4108 GPRESSAVG: 2967800 41.1505 4.72865 21.4788 5.67287 40.0843 -66.587 20.1491 -63.4466 -36.6544 TIMING: 2967800 CPU: 8858.55, 0.0030433/step Wall: 8858.55, 0.0030433/step, 1.71794 hours remaining, 206.449219 MB of memory in use. ENERGY: 2967800 748.9065 2185.8692 1935.3221 102.1156 -206081.7224 17793.3091 0.0000 0.0000 34276.1958 -149040.0042 299.3425 -183316.1999 -148942.1577 299.9427 -95.4992 -67.3557 559714.7081 15.1021 14.8601 PRESSURE: 2968000 -100.922 -29.7704 -10.6419 -29.7696 23.0055 9.76237 -10.6411 9.76212 -192.297 GPRESSURE: 2968000 -49.6693 0.907621 -49.8248 -51.2877 98.7176 84.18 -9.77253 -28.393 -221.597 PRESSAVG: 2968000 5.60889 44.0429 16.8566 44.0429 -24.8042 -66.321 16.8566 -66.321 -21.7058 GPRESSAVG: 2968000 5.906 44.5382 15.3288 43.193 -24.7404 -66.5578 17.109 -66.0842 -22.0254 TIMING: 2968000 CPU: 8859.16, 0.00304461/step Wall: 8859.16, 0.00304461/step, 1.71851 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: 2968000 723.3239 2133.6041 1943.8190 99.4007 -206159.7918 17736.5703 0.0000 0.0000 34248.6615 -149274.4123 299.1021 -183523.0737 -149176.7207 299.8405 -90.0712 -57.5163 557394.8682 -13.6337 -13.6199 PRESSURE: 2968200 264.768 -57.9351 -96.6313 -57.9337 -73.6833 -198.838 -96.6301 -198.837 53.535 GPRESSURE: 2968200 285.386 11.7773 -21.5026 -165.122 -47.4853 -139.99 -98.951 -151.69 107.692 PRESSAVG: 2968200 -48.5446 -7.46979 62.9853 -7.4699 17.9194 -22.0432 62.9853 -22.0432 35.579 GPRESSAVG: 2968200 -47.9226 -9.95003 62.9288 -5.51949 18.5916 -21.724 62.5628 -22.2577 34.6115 TIMING: 2968200 CPU: 8859.76, 0.00303654/step Wall: 8859.76, 0.00303654/step, 1.71379 hours remaining, 206.449219 MB of memory in use. ENERGY: 2968200 753.4469 2121.2518 1923.8260 111.2875 -206392.3222 17850.5652 0.0000 0.0000 34253.4175 -149378.5274 299.1436 -183631.9449 -149278.2810 299.8792 81.5400 115.1975 556410.0151 1.6513 1.7602 LDB: ============= START OF LOAD BALANCING ============== 8863.2 LDB: ============== END OF LOAD BALANCING =============== 8863.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8863.2 LDB: ============= START OF LOAD BALANCING ============== 8863.5 LDB: Largest compute 4820 load 0.031445 is 26.6% of average load 0.118081 LDB: Average compute 0.001734 is 1.5% of average load 0.118081 LDB: TIME 8863.51 LOAD: AVG 0.118081 MAX 0.212324 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.969 MB LDB: TIME 8863.51 LOAD: AVG 0.118081 MAX 0.212324 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.039 MB LDB: TIME 8863.51 LOAD: AVG 0.118081 MAX 0.212324 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8863.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8863.51 PRESSURE: 2968400 -179.186 15.3278 14.2091 15.3286 -178.585 -1.9843 14.2093 -1.98611 -249.883 GPRESSURE: 2968400 -163.218 45.0304 29.4651 25.6617 -138.149 10.1687 5.92716 63.7286 -208.681 PRESSAVG: 2968400 11.9474 25.7726 20.0886 25.7725 14.3559 -11.2064 20.0886 -11.2065 -2.20569 GPRESSAVG: 2968400 11.0703 27.0649 20.0293 22.6632 13.8206 -10.9129 21.3941 -11.3768 -1.15749 TIMING: 2968400 CPU: 8860.38, 0.00310847/step Wall: 8860.38, 0.00310847/step, 1.75421 hours remaining, 205.937500 MB of memory in use. ENERGY: 2968400 744.4960 2085.3805 1953.7618 116.2033 -206007.9743 17540.3187 0.0000 0.0000 34283.6437 -149284.1703 299.4076 -183567.8140 -149185.9233 299.1443 -202.5515 -170.0162 558720.4207 8.0325 7.9112 PRESSURE: 2968600 -120.202 133.033 -7.60822 133.033 4.44086 181.87 -7.60657 181.87 -152.124 GPRESSURE: 2968600 -41.1853 157.044 -5.33247 83.9637 -35.2753 165.17 -68.3251 140.53 -102.411 PRESSAVG: 2968600 30.9909 56.7422 13.0988 56.7422 -13.9061 12.1676 13.0989 12.1676 -5.83689 GPRESSAVG: 2968600 31.5322 58.8958 14.6582 58.2093 -13.6213 13.1636 15.3154 11.7565 -7.06762 TIMING: 2968600 CPU: 8860.99, 0.00303325/step Wall: 8860.99, 0.00303325/step, 1.7116 hours remaining, 206.136719 MB of memory in use. ENERGY: 2968600 750.3494 2130.4011 1912.8820 102.2203 -206220.8481 17765.4612 0.0000 0.0000 34151.4912 -149408.0429 298.2535 -183559.5341 -149313.4136 298.5188 -89.2948 -59.6238 558523.8034 3.7493 3.6144 PRESSURE: 2968800 -84.3886 -177.308 34.7114 -177.307 -205.495 -20.4691 34.7125 -20.4675 120.12 GPRESSURE: 2968800 -114.413 -336.956 7.26872 -59.122 -126.099 -126.243 121.133 -97.7742 156.886 PRESSAVG: 2968800 15.886 32.8037 16.7718 32.8038 21.1089 -19.5306 16.7718 -19.5306 -10.586 GPRESSAVG: 2968800 15.8805 30.5771 14.7043 34.1038 21.0049 -18.662 13.861 -21.0282 -10.7094 TIMING: 2968800 CPU: 8861.6, 0.00303399/step Wall: 8861.6, 0.00303399/step, 1.71184 hours remaining, 206.136719 MB of memory in use. ENERGY: 2968800 716.4329 2112.5810 1933.4547 127.2416 -206367.7998 17807.9854 0.0000 0.0000 34154.5580 -149515.5462 298.2802 -183670.1042 -149420.3674 298.3689 -56.5879 -27.8755 558129.0353 8.8030 8.7253 PRESSURE: 2969000 11.9631 56.9372 -152.496 56.9371 324.6 -69.6286 -152.496 -69.6291 294.127 GPRESSURE: 2969000 52.8072 83.1849 -181.826 56.7906 352.856 -124.135 -97.6543 -8.5458 322.066 PRESSAVG: 2969000 22.5185 -15.887 -43.5193 -15.887 -17.671 64.3698 -43.5193 64.3697 7.21567 GPRESSAVG: 2969000 23.0334 -14.4638 -42.8916 -17.661 -18.2745 63.675 -44.0393 66.4103 7.57685 TIMING: 2969000 CPU: 8862.2, 0.00303063/step Wall: 8862.2, 0.00303063/step, 1.70978 hours remaining, 206.191406 MB of memory in use. ENERGY: 2969000 745.3326 2108.5305 1895.1206 100.2378 -206943.4959 18288.7634 0.0000 0.0000 34129.9396 -149675.5714 298.0653 -183805.5110 -149582.2029 298.1010 210.2300 242.5764 556581.9325 4.0211 4.1119 PRESSURE: 2969200 -58.1595 -29.9 112.343 -29.8992 274.286 -145.977 112.343 -145.977 155.006 GPRESSURE: 2969200 -56.2548 2.65539 86.0065 43.9872 319.685 -144.967 127.519 -138.594 206.006 PRESSAVG: 2969200 -40.0162 -10.4592 15.7662 -10.4592 22.2457 -18.8014 15.766 -18.8015 14.5358 GPRESSAVG: 2969200 -40.3526 -11.6457 14.1546 -8.98776 22.7091 -20.5352 16.7736 -18.5472 14.5461 TIMING: 2969200 CPU: 8862.82, 0.00305936/step Wall: 8862.82, 0.00305936/step, 1.72582 hours remaining, 206.191406 MB of memory in use. ENERGY: 2969200 723.3221 2104.6267 1920.0964 100.1317 -207000.2928 18119.1706 0.0000 0.0000 34194.5680 -149838.3771 298.6297 -184032.9452 -149741.9472 298.3214 123.7108 156.4787 556449.6531 -1.0782 -1.0325 PRESSURE: 2969400 10.3182 -47.2599 -66.7028 -47.2591 0.996071 -202.664 -66.7023 -202.663 -218.115 GPRESSURE: 2969400 16.0773 -98.2849 -168.268 -14.8602 39.1318 -214 -66.2357 -178.38 -178.434 PRESSAVG: 2969400 -66.6436 -56.5585 -48.9432 -56.5586 76.5759 -26.9364 -48.9431 -26.9364 9.94879 GPRESSAVG: 2969400 -66.9978 -57.6462 -46.8634 -55.9871 76.4997 -25.696 -49.2459 -27.5701 9.18414 TIMING: 2969400 CPU: 8863.43, 0.00307459/step Wall: 8863.43, 0.00307459/step, 1.73424 hours remaining, 206.191406 MB of memory in use. ENERGY: 2969400 761.5945 2122.5739 1934.5984 120.9750 -207110.9493 17986.8515 0.0000 0.0000 34277.5934 -149906.7628 299.3547 -184184.3562 -149809.2282 297.9374 -68.9336 -41.0748 556393.6225 6.6270 6.2287 PRESSURE: 2969600 -271.905 -78.7938 -75.7361 -78.7944 -158.458 74.9382 -75.7341 74.9386 -295.537 GPRESSURE: 2969600 -224.841 -148.467 -154.617 -24.7852 -119.574 -22.1636 -17.6892 60.2394 -277.964 PRESSAVG: 2969600 -52.52 -31.043 -11.4054 -31.043 85.1058 -20.3139 -11.4054 -20.3138 -49.4102 GPRESSAVG: 2969600 -53.1746 -29.4674 -12.3917 -30.8479 87.0552 -20.4355 -10.7784 -20.6854 -50.2803 TIMING: 2969600 CPU: 8864.04, 0.00306611/step Wall: 8864.04, 0.00306611/step, 1.72929 hours remaining, 206.191406 MB of memory in use. ENERGY: 2969600 736.9415 2043.5230 1920.9565 103.3018 -206365.2961 17535.8370 0.0000 0.0000 34217.9328 -149806.8036 298.8337 -184024.7363 -149701.1104 297.8657 -241.9665 -207.4595 556576.2480 -5.6081 -5.4666 PRESSURE: 2969800 -358.802 38.9662 -21.3115 38.9649 -149.38 -111.855 -21.3121 -111.857 -221.514 GPRESSURE: 2969800 -401.833 27.5483 -70.9645 -39.7788 -124.307 -49.4377 64.5979 -112.475 -111.409 PRESSAVG: 2969800 -42.4134 -34.5532 -32.1912 -34.5532 49.9746 15 -32.1911 15.0001 -25.9622 GPRESSAVG: 2969800 -42.9691 -35.4794 -30.1682 -36.7043 48.25 14.4491 -33.3514 16.6745 -23.86 TIMING: 2969800 CPU: 8864.66, 0.00308536/step Wall: 8864.66, 0.00308536/step, 1.73997 hours remaining, 206.191406 MB of memory in use. ENERGY: 2969800 753.0476 2096.2978 1905.5447 111.7995 -206391.1289 17578.9350 0.0000 0.0000 34371.9734 -149573.5307 300.1790 -183945.5042 -149475.2045 298.2186 -243.2324 -212.5163 556428.8999 -6.1337 -6.1930 PRESSURE: 2970000 -110.153 -103.912 92.5983 -103.91 150.743 -114.817 92.5988 -114.817 -190.71 GPRESSURE: 2970000 -90.1695 -108.34 84.4687 -95.2079 196.372 -38.4447 89.1209 -55.6295 -151.175 PRESSAVG: 2970000 52.9439 -3.76184 0.900557 -3.76184 72.3375 1.60503 0.900513 1.60501 -109.624 GPRESSAVG: 2970000 53.97 -3.30035 -3.28436 -2.80961 72.2649 0.381749 3.61709 0.607359 -110.278 TIMING: 2970000 CPU: 8865.27, 0.00306391/step Wall: 8865.27, 0.00306391/step, 1.7277 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: 2970000 724.1184 2096.5426 1933.6587 115.3966 -206550.4969 17735.6794 0.0000 0.0000 34261.8478 -149683.2534 299.2172 -183945.1012 -149587.4701 298.0888 -50.0401 -14.9908 555500.7456 5.2193 5.3188 PRESSURE: 2970200 -87.8843 8.53676 -11.5961 8.53668 -75.8515 -81.0965 -11.5962 -81.0952 -243.087 GPRESSURE: 2970200 -25.158 58.1524 3.00859 120.865 -104.618 -111.989 19.7287 -25.9273 -179.671 PRESSAVG: 2970200 6.96015 22.7741 -33.4505 22.774 87.9132 -17.4653 -33.4505 -17.4653 -105.739 GPRESSAVG: 2970200 6.99697 21.3993 -29.8031 23.2854 88.1103 -13.7555 -35.6975 -18.9022 -105.656 TIMING: 2970200 CPU: 8865.89, 0.00306636/step Wall: 8865.89, 0.00306636/step, 1.72892 hours remaining, 206.191406 MB of memory in use. ENERGY: 2970200 726.0722 2117.8249 1926.1952 114.7878 -205967.2861 17458.5370 0.0000 0.0000 33983.7587 -149640.1104 296.7886 -183623.8691 -149553.1439 298.3464 -135.6075 -103.1489 557386.5250 -3.6220 -3.5161 PRESSURE: 2970400 -117.294 -136.154 299.794 -136.154 236.076 -121.519 299.794 -121.518 -189.811 GPRESSURE: 2970400 -93.5204 -93.287 342.185 -166.858 256.257 -189.921 260.754 -21.8623 -129.62 PRESSAVG: 2970400 10.1988 -5.97688 43.8206 -5.97692 102.287 0.461824 43.8205 0.461874 -123.079 GPRESSAVG: 2970400 10.1986 -4.93565 41.272 -6.9206 102.792 -0.724094 44.2589 1.95175 -123.31 TIMING: 2970400 CPU: 8866.5, 0.00306132/step Wall: 8866.5, 0.00306132/step, 1.7259 hours remaining, 206.191406 MB of memory in use. ENERGY: 2970400 765.9861 2033.3354 1897.9215 120.7293 -206515.9887 17981.9572 0.0000 0.0000 34144.3186 -149571.7407 298.1908 -183716.0592 -149477.6679 298.2087 -23.6767 11.0389 556586.5139 -3.5309 -3.4397 PRESSURE: 2970600 -330.376 -96.2861 -34.5184 -96.286 -143.407 -137.641 -34.5185 -137.642 -270.576 GPRESSURE: 2970600 -225.192 -7.58548 -15.1805 -92.4619 -150.274 -196.603 -0.339488 -81.3874 -266.201 PRESSAVG: 2970600 -16.4144 -49.1461 -19.2385 -49.1459 49.2357 -87.4713 -19.2385 -87.4713 -70.0764 GPRESSAVG: 2970600 -16.5374 -49.1982 -16.2979 -47.5737 49.0622 -90.5785 -21.7243 -85.9952 -70.0412 TIMING: 2970600 CPU: 8867.11, 0.00306142/step Wall: 8867.11, 0.00306142/step, 1.72579 hours remaining, 206.191406 MB of memory in use. ENERGY: 2970600 751.4333 2128.5783 1947.3559 106.7192 -206200.5328 17456.7934 0.0000 0.0000 34203.2933 -149606.3594 298.7059 -183809.6527 -149517.0895 298.8441 -248.1195 -213.8890 558270.7377 -12.4184 -12.5055 PRESSURE: 2970800 -65.6416 24.806 -14.7473 24.8062 -99.3991 -155.264 -14.7476 -155.266 -273.944 GPRESSURE: 2970800 -62.4858 -29.4647 -54.8808 19.5347 -62.8128 -160.133 -74.8012 -121.185 -222.527 PRESSAVG: 2970800 35.0861 -68.4783 -18.0782 -68.4783 29.5484 -21.884 -18.0781 -21.8841 -58.7275 GPRESSAVG: 2970800 34.3949 -68.5596 -19.3058 -70.4352 30.571 -19.0746 -14.9323 -22.1577 -58.9775 TIMING: 2970800 CPU: 8867.73, 0.00308452/step Wall: 8867.73, 0.00308452/step, 1.73864 hours remaining, 206.191406 MB of memory in use. ENERGY: 2970800 765.4861 2093.1823 1928.6469 114.4531 -206505.6644 17837.1303 0.0000 0.0000 34329.7637 -149437.0019 299.8104 -183766.7656 -149340.5765 298.4920 -146.3281 -115.9419 557712.2231 1.9690 1.9961 PRESSURE: 2971000 -15.5766 -15.9877 81.0238 -15.989 79.9329 95.8524 81.0226 95.853 -242.411 GPRESSURE: 2971000 -19.4681 1.11334 38.5408 73.2225 154.453 122.569 149.664 59.4706 -225.839 PRESSAVG: 2971000 18.6432 9.35818 16.1085 9.35817 31.9278 -1.95881 16.1085 -1.95888 -22.3739 GPRESSAVG: 2971000 18.2946 10.6844 15.2162 10.3661 31.2939 -1.99416 14.5546 -2.78462 -20.919 TIMING: 2971000 CPU: 8868.34, 0.00306413/step Wall: 8868.34, 0.00306413/step, 1.72698 hours remaining, 206.191406 MB of memory in use. ENERGY: 2971000 786.4775 2057.0810 1943.9700 116.6994 -206450.1945 18004.1379 0.0000 0.0000 34078.9108 -149462.9179 297.6196 -183541.8287 -149365.5194 298.9316 -59.3515 -30.2846 558176.1462 9.3990 9.5565 PRESSURE: 2971200 -33.7275 22.3278 -10.3697 22.3278 -2.6321 153.642 -10.3688 153.643 -37.7897 GPRESSURE: 2971200 -6.91995 -42.4636 26.7805 24.1177 37.5531 136.182 13.4819 66.6902 -22.1771 PRESSAVG: 2971200 -28.2354 29.9242 -49.5448 29.9243 39.6874 37.1444 -49.5448 37.1444 -11.2655 GPRESSAVG: 2971200 -27.1512 29.6635 -47.0284 31.3787 39.3023 34.859 -49.2436 36.4452 -11.8239 TIMING: 2971200 CPU: 8868.96, 0.00308857/step Wall: 8868.96, 0.00308857/step, 1.74058 hours remaining, 206.191406 MB of memory in use. ENERGY: 2971200 746.1929 2119.4452 1906.1989 132.8927 -206538.2096 17948.9967 0.0000 0.0000 34021.8713 -149662.6119 297.1215 -183684.4832 -149572.6702 298.2097 -24.7164 2.8187 556968.7459 0.0622 0.1091 PRESSURE: 2971400 34.8445 -97.803 -102.864 -97.8031 109.469 74.1683 -102.864 74.1685 -256.673 GPRESSURE: 2971400 72.7194 -86.5944 -92.6883 -92.968 150.367 43.5327 -128.86 21.0288 -229.746 PRESSAVG: 2971400 -51.034 69.5953 -15.5952 69.5953 64.6643 61.3832 -15.5952 61.3831 -10.2653 GPRESSAVG: 2971400 -51.6654 70.8988 -16.6334 67.6109 64.4986 63.0555 -16.8936 62.2572 -8.72184 TIMING: 2971400 CPU: 8869.58, 0.00310455/step Wall: 8869.58, 0.00310455/step, 1.74941 hours remaining, 206.191406 MB of memory in use. ENERGY: 2971400 767.7249 2158.2157 1942.0759 102.3117 -206713.3955 17903.5128 0.0000 0.0000 34015.6639 -149823.8906 297.0673 -183839.5545 -149726.9805 297.6355 -37.4532 -2.2199 557056.0271 1.1217 1.3705 PRESSURE: 2971600 -290.146 -131.287 -115.983 -131.286 8.26543 19.3249 -115.982 19.3252 -153.006 GPRESSURE: 2971600 -215.617 -165.971 -111.464 -27.1661 -7.17157 10.0772 -98.1089 37.9359 -124.644 PRESSAVG: 2971600 -27.548 12.7389 -87.317 12.739 -48.9155 31.1844 -87.317 31.1844 41.4302 GPRESSAVG: 2971600 -26.4613 11.7367 -87.3813 13.7742 -47.9171 31.3714 -85.579 31.3177 39.9394 TIMING: 2971600 CPU: 8870.2, 0.00307384/step Wall: 8870.2, 0.00307384/step, 1.73194 hours remaining, 206.191406 MB of memory in use. ENERGY: 2971600 743.7947 2149.0077 1905.1251 122.4801 -206418.8003 17727.5498 0.0000 0.0000 34004.0664 -149766.7766 296.9660 -183770.8430 -149672.8401 297.4196 -144.9619 -115.8107 557386.2671 -11.6778 -11.4797 PRESSURE: 2971800 -10.4333 -22.5213 -114.129 -22.5213 85.741 76.2809 -114.13 76.2804 -180.626 GPRESSURE: 2971800 20.1472 5.34353 -57.1309 -40.9961 103.356 63.3679 -121.234 58.424 -126.739 PRESSAVG: 2971800 -30.107 -34.9496 -7.67148 -34.9497 45.2983 19.9569 -7.67148 19.9568 -43.8617 GPRESSAVG: 2971800 -30.7118 -34.1455 -9.07404 -36.1788 45.4799 20.3556 -7.92258 19.9041 -43.4017 TIMING: 2971800 CPU: 8870.81, 0.00309718/step Wall: 8870.81, 0.00309718/step, 1.74492 hours remaining, 206.191406 MB of memory in use. ENERGY: 2971800 740.5393 2060.3944 1909.6541 102.1465 -206569.9612 17946.6987 0.0000 0.0000 34040.2329 -149770.2952 297.2818 -183810.5282 -149678.2335 297.7262 -35.1061 -1.0786 556883.5921 -9.5568 -9.5445 PRESSURE: 2972000 160.775 181.642 28.4499 181.643 196.415 -71.5333 28.4514 -71.5337 119.058 GPRESSURE: 2972000 148.857 152.751 -17.6009 232.343 232.93 -64.6291 14.0709 -77.703 184.354 PRESSAVG: 2972000 29.7808 1.94326 -69.7081 1.94333 -36.2955 6.82832 -69.7082 6.82826 30.3679 GPRESSAVG: 2972000 30.935 1.80445 -69.2843 3.44179 -36.372 5.96599 -70.594 6.59877 28.9575 TIMING: 2972000 CPU: 8871.43, 0.00307823/step Wall: 8871.43, 0.00307823/step, 1.73407 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: 2972000 753.1588 2115.8049 1934.1921 118.2753 -206933.9314 18220.8393 0.0000 0.0000 34031.2716 -149760.3893 297.2036 -183791.6609 -149672.7114 297.7846 158.7496 188.7137 556980.8995 7.9511 7.8402 PRESSURE: 2972200 125.759 105.165 -87.7707 105.165 -59.1359 -163.204 -87.7692 -163.206 -28.4879 GPRESSURE: 2972200 163.547 166.109 -88.9452 27.2396 1.52836 -226.919 -61.537 -151.367 -22.8581 PRESSAVG: 2972200 93.2164 -16.6901 -19.6654 -16.6902 -51.2389 -51.3758 -19.6652 -51.3759 -25.0928 GPRESSAVG: 2972200 92.2927 -17.0598 -16.7419 -18.1983 -51.9068 -51.6229 -21.3403 -51.0033 -23.2235 TIMING: 2972200 CPU: 8872.05, 0.00310174/step Wall: 8872.05, 0.00310174/step, 1.74714 hours remaining, 206.191406 MB of memory in use. ENERGY: 2972200 769.5797 2091.5301 1908.6517 118.8871 -206556.4253 18039.5272 0.0000 0.0000 33720.9281 -149907.3214 294.4933 -183628.2494 -149816.5673 297.3128 12.7118 47.4059 557301.6289 5.6282 5.7208 LDB: ============= START OF LOAD BALANCING ============== 8875.49 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 8875.49 LDB: =============== DONE WITH MIGRATION ================ 8875.49 LDB: ============= START OF LOAD BALANCING ============== 8875.8 LDB: Largest compute 4820 load 0.032347 is 27.4% of average load 0.118025 LDB: Average compute 0.001746 is 1.5% of average load 0.118025 LDB: TIME 8875.8 LOAD: AVG 0.118025 MAX 0.210532 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.152 MB LDB: TIME 8875.8 LOAD: AVG 0.118025 MAX 0.210532 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.223 MB LDB: TIME 8875.8 LOAD: AVG 0.118025 MAX 0.210532 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.223 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8875.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8875.81 PRESSURE: 2972400 -37.4661 -182.091 -17.9388 -182.09 -265.005 116.79 -17.9383 116.791 -51.8754 GPRESSURE: 2972400 -26.6536 -141.099 -55.4745 -136.174 -192.124 178.946 32.6554 70.4478 -35.4988 PRESSAVG: 2972400 86.0522 -54.1167 -36.4491 -54.1166 -14.9059 40.3135 -36.4492 40.3135 -34.088 GPRESSAVG: 2972400 86.6615 -54.5639 -37.5473 -53.122 -14.8108 39.3463 -35.9053 39.8343 -34.9336 TIMING: 2972400 CPU: 8872.68, 0.00314296/step Wall: 8872.68, 0.00314296/step, 1.77018 hours remaining, 205.933594 MB of memory in use. ENERGY: 2972400 714.9286 2110.8426 1951.4254 118.4406 -206518.4101 17841.2270 0.0000 0.0000 33815.4823 -149966.0636 295.3190 -183781.5459 -149871.9562 297.0758 -118.1154 -84.7589 558081.5589 12.3528 12.3057 PRESSURE: 2972600 57.7936 -102.675 8.25037 -102.674 -160.944 92.2472 8.24919 92.2479 -38.9683 GPRESSURE: 2972600 68.1801 -81.0526 71.9394 -52.0707 -127.373 128.914 22.0311 174.768 25.8302 PRESSAVG: 2972600 46.8756 -13.3164 -8.6132 -13.3165 47.4631 -26.3586 -8.61331 -26.3586 -79.3907 GPRESSAVG: 2972600 47.2144 -13.444 -9.84268 -13.1032 48.4712 -24.9391 -7.79297 -25.7511 -80.8726 TIMING: 2972600 CPU: 8873.3, 0.00310339/step Wall: 8873.3, 0.00310339/step, 1.74773 hours remaining, 205.933594 MB of memory in use. ENERGY: 2972600 750.9378 2100.4321 1909.7269 109.0777 -206904.0348 18021.5796 0.0000 0.0000 34030.7450 -149981.5358 297.1990 -184012.2808 -149895.9825 296.4684 -47.3729 -11.1209 557000.1886 4.9827 4.9377 PRESSURE: 2972800 341.114 72.3024 -23.1019 72.3025 4.50012 61.498 -23.1028 61.4971 59.2402 GPRESSURE: 2972800 351.903 62.5236 -3.51307 130.497 22.1747 129.6 -27.162 85.356 134.152 PRESSAVG: 2972800 62.0868 37.1793 -1.41987 37.1793 -64.0087 14.9338 -1.41985 14.9337 31.2944 GPRESSAVG: 2972800 60.2584 35.6469 -0.133843 37.2386 -63.7141 15.1091 -1.33204 14.3659 32.5118 TIMING: 2972800 CPU: 8873.92, 0.00308818/step Wall: 8873.92, 0.00308818/step, 1.73899 hours remaining, 205.933594 MB of memory in use. ENERGY: 2972800 724.7359 2094.4591 1986.9604 111.1323 -206804.3978 18113.9417 0.0000 0.0000 33938.6682 -149834.5001 296.3948 -183773.1683 -149738.0818 297.0923 134.9515 169.4097 556592.7053 9.7908 9.6854 PRESSURE: 2973000 -143.868 25.8842 -78.0383 25.883 -39.2447 -137.903 -78.039 -137.903 131.886 GPRESSURE: 2973000 -101.234 48.6168 -147.403 24.1815 16.8609 -152.008 -29.6608 -106.682 116.931 PRESSAVG: 2973000 24.0299 -35.6658 -38.2298 -35.6657 -88.9028 -84.8331 -38.2298 -84.833 -5.41393 GPRESSAVG: 2973000 25.5128 -35.8928 -36.5934 -35.4158 -90.0297 -84.2611 -38.49 -85.0594 -5.70627 TIMING: 2973000 CPU: 8874.53, 0.00307461/step Wall: 8874.53, 0.00307461/step, 1.73118 hours remaining, 205.933594 MB of memory in use. ENERGY: 2973000 768.1246 2063.5810 1944.3477 118.0119 -206440.9826 17785.6197 0.0000 0.0000 34200.3641 -149560.9337 298.6803 -183761.2978 -149470.4531 297.4535 -17.0755 10.8529 556706.0231 -23.4289 -23.4077 PRESSURE: 2973200 -71.4434 -111.058 -33.9825 -111.057 26.6128 45.921 -33.9826 45.9212 -204.471 GPRESSURE: 2973200 -43.2666 -170.366 28.1678 -78.3328 17.7569 63.4701 -77.3346 53.4924 -125.345 PRESSAVG: 2973200 21.0598 -75.9619 29.3649 -75.9617 -48.1599 -12.6353 29.3648 -12.6354 -14.0909 GPRESSAVG: 2973200 21.732 -74.633 27.8628 -76.3831 -48.6565 -13.0826 27.4364 -11.5426 -14.3633 TIMING: 2973200 CPU: 8875.14, 0.00304306/step Wall: 8875.14, 0.00304306/step, 1.71324 hours remaining, 205.933594 MB of memory in use. ENERGY: 2973200 744.0226 2110.7662 1953.1024 117.8813 -206451.1558 17700.7942 0.0000 0.0000 34365.1980 -149459.3911 300.1198 -183824.5891 -149357.6213 298.2841 -83.1004 -50.2849 556711.3347 -13.7303 -13.7626 PRESSURE: 2973400 -23.8633 34.0688 -23.5061 34.0685 315.51 166.643 -23.5056 166.644 4.07881 GPRESSURE: 2973400 46.428 132.633 -7.33403 -70.9268 290.281 170.658 -3.70588 67.6677 52.8523 PRESSAVG: 2973400 25.6724 3.8623 -47.1945 3.86229 5.90401 22.6552 -47.1946 22.6552 5.84156 GPRESSAVG: 2973400 25.0959 3.02142 -47.5212 2.77439 7.22844 21.6698 -47.1099 21.9453 5.41438 TIMING: 2973400 CPU: 8875.75, 0.00303043/step Wall: 8875.75, 0.00303043/step, 1.70596 hours remaining, 205.933594 MB of memory in use. ENERGY: 2973400 731.1967 2080.3000 1926.8830 113.4746 -206887.3173 18166.8265 0.0000 0.0000 34351.8303 -149516.8061 300.0031 -183868.6364 -149420.3680 299.1029 98.5753 129.8537 556912.6270 12.4727 12.5796 PRESSURE: 2973600 -60.9122 110.826 28.9027 110.824 -68.5446 -72.7063 28.9031 -72.7046 71.6376 GPRESSURE: 2973600 -25.9515 81.5542 -26.4514 16.9736 -28.9656 -72.2534 10.1683 -130.051 99.9221 PRESSAVG: 2973600 -15.2575 39.4266 8.42531 39.4267 -2.99284 55.4159 8.42532 55.4158 3.44804 GPRESSAVG: 2973600 -14.2837 40.9862 6.61332 41.5204 -3.24066 55.3532 11.2676 57.3135 3.12498 TIMING: 2973600 CPU: 8876.35, 0.003036/step Wall: 8876.35, 0.003036/step, 1.70893 hours remaining, 205.933594 MB of memory in use. ENERGY: 2973600 746.4092 2106.3276 1942.7341 104.0278 -206526.0941 17943.1255 0.0000 0.0000 34114.7366 -149568.7333 297.9325 -183683.4699 -149462.5609 298.6258 -19.2731 15.0017 557026.5119 -4.9341 -4.7998 PRESSURE: 2973800 -214.961 192.987 71.3268 192.988 57.8005 48.0625 71.3255 48.0622 107.58 GPRESSURE: 2973800 -154.373 201.039 95.5099 172.368 78.9507 125.514 82.6214 37.4435 124.109 PRESSAVG: 2973800 -22.201 7.93351 79.1287 7.93351 -24.8532 -62.7151 79.1286 -62.7151 44.2131 GPRESSAVG: 2973800 -22.1199 9.07307 81.7488 4.93901 -25.8123 -61.9536 75.8906 -64.6578 45.2861 TIMING: 2973800 CPU: 8876.96, 0.00305173/step Wall: 8876.96, 0.00305173/step, 1.71761 hours remaining, 205.933594 MB of memory in use. ENERGY: 2973800 730.6119 2142.0734 1931.7589 119.0964 -206877.2809 18061.3308 0.0000 0.0000 34365.2467 -149527.1628 300.1202 -183892.4095 -149429.4372 298.7527 -16.5269 16.2290 558113.3827 -0.9470 -0.8820 PRESSURE: 2974000 86.5563 -47.1072 26.5793 -47.1069 -28.5327 -101.814 26.5797 -101.814 352.781 GPRESSURE: 2974000 131.827 -14.2854 93.9155 -116.076 18.2414 -79.3992 -47.0474 -201.736 354.808 PRESSAVG: 2974000 -29.5693 31.2935 35.0321 31.2934 -16.4116 -7.78871 35.0322 -7.78875 27.105 GPRESSAVG: 2974000 -29.696 29.6219 34.599 34.1653 -14.8952 -8.24258 36.4988 -8.59048 26.2182 TIMING: 2974000 CPU: 8877.58, 0.00305609/step Wall: 8877.58, 0.00305609/step, 1.7199 hours remaining, 205.933594 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: 2974000 689.7361 2097.4008 1956.3462 110.3652 -206391.3147 17935.5160 0.0000 0.0000 34096.2397 -149505.7107 297.7709 -183601.9504 -149415.0138 299.2666 136.9349 168.2920 556664.3003 -6.2919 -6.1243 PRESSURE: 2974200 -18.2206 39.4294 -4.69508 39.4281 48.4295 30.0102 -4.69658 30.0118 207.962 GPRESSURE: 2974200 25.3749 2.79833 3.4496 2.29892 55.5204 39.0971 -56.0072 12.8203 260.471 PRESSAVG: 2974200 -14.2016 -4.45108 0.355418 -4.45095 15.5463 7.44857 0.35538 7.44844 18.6705 GPRESSAVG: 2974200 -14.7092 -3.14814 0.728566 -5.62173 16.2756 7.88733 -0.35862 8.20774 18.4002 TIMING: 2974200 CPU: 8878.19, 0.0030527/step Wall: 8878.19, 0.0030527/step, 1.71782 hours remaining, 205.933594 MB of memory in use. ENERGY: 2974200 714.4355 2093.2200 1963.7680 124.5055 -206627.4833 17926.3254 0.0000 0.0000 34381.1659 -149424.0630 300.2593 -183805.2289 -149325.8618 299.3493 79.3902 113.7886 557099.9107 6.6717 6.6555 PRESSURE: 2974400 -320.844 0.0720193 21.1769 0.0731701 -134.754 37.6941 21.1772 37.6934 -78.8761 GPRESSURE: 2974400 -305.084 39.4296 114.915 -106.248 -20.9929 -9.85225 20.3588 51.7278 -109.695 PRESSAVG: 2974400 -72.3027 -25.8357 32.4458 -25.8357 19.6447 -11.2632 32.4458 -11.2632 68.9504 GPRESSAVG: 2974400 -71.8545 -28.6019 32.8357 -25.0539 18.3426 -11.1237 32.1723 -9.83341 69.5045 TIMING: 2974400 CPU: 8878.8, 0.00305179/step Wall: 8878.8, 0.00305179/step, 1.71714 hours remaining, 205.933594 MB of memory in use. ENERGY: 2974400 749.6244 2047.6103 1932.9079 108.1133 -205994.3719 17521.6993 0.0000 0.0000 34085.9895 -149548.4272 297.6814 -183634.4166 -149449.1100 298.5008 -178.1582 -145.2575 556618.5560 5.4308 5.3309 PRESSURE: 2974600 -312.888 -132.97 -106.153 -132.97 -411.69 59.0215 -106.153 59.0222 -470.681 GPRESSURE: 2974600 -244.805 -155.112 -114.321 -115.468 -426.89 36.5686 -161.44 30.2513 -430.134 PRESSAVG: 2974600 -16.6658 -3.98961 -47.3433 -3.98964 10.4852 18.1454 -47.3434 18.1454 15.6183 GPRESSAVG: 2974600 -17.2478 -2.68556 -47.1005 -5.7793 10.9337 19.1769 -45.8285 17.3772 14.9738 TIMING: 2974600 CPU: 8879.41, 0.00307102/step Wall: 8879.41, 0.00307102/step, 1.72779 hours remaining, 205.933594 MB of memory in use. ENERGY: 2974600 770.5698 2062.3113 1936.5890 125.4428 -205652.6672 17179.9525 0.0000 0.0000 33988.1938 -149589.6081 296.8274 -183577.8019 -149492.3411 299.0131 -398.4198 -367.2763 557970.9746 3.1459 2.8866 PRESSURE: 2974800 -75.7664 98.682 -105.123 98.6828 -65.1092 -13.4565 -105.121 -13.4564 26.8428 GPRESSURE: 2974800 -55.3644 132.242 -91.5371 34.2069 2.75484 -10.4806 -54.9866 -33.2713 25.0177 PRESSAVG: 2974800 -55.8301 -10.1405 -18.1316 -10.1405 14.0685 19.8183 -18.1316 19.8184 2.44493 GPRESSAVG: 2974800 -56.8106 -9.19 -17.3946 -9.65305 13.867 19.8679 -20.6381 17.871 3.30423 TIMING: 2974800 CPU: 8880.03, 0.00306989/step Wall: 8880.03, 0.00306989/step, 1.72699 hours remaining, 205.933594 MB of memory in use. ENERGY: 2974800 743.6838 2103.8910 1923.7937 115.7148 -206454.5942 17809.9741 0.0000 0.0000 34291.1388 -149466.3981 299.4730 -183757.5369 -149363.0591 298.5011 -38.0109 -9.1973 558683.3226 -13.1056 -13.2131 PRESSURE: 2975000 4.6777 24.2702 234.331 24.2705 83.8486 22.264 234.331 22.2627 253.816 GPRESSURE: 2975000 41.2905 -20.0297 312.516 48.9934 118.927 64.3765 150.064 35.3397 277.334 PRESSAVG: 2975000 -21.144 26.0164 16.7233 26.0164 56.6831 34.1483 16.7234 34.1482 -76.2087 GPRESSAVG: 2975000 -19.9507 26.0622 16.1306 25.3891 57.2089 31.9269 17.7317 37.2476 -77.3918 TIMING: 2975000 CPU: 8880.64, 0.00305414/step Wall: 8880.64, 0.00305414/step, 1.71796 hours remaining, 205.933594 MB of memory in use. ENERGY: 2975000 735.7662 2094.7983 1933.9334 107.2836 -206442.6896 18028.6681 0.0000 0.0000 34114.1100 -149428.1300 297.9270 -183542.2399 -149339.8528 298.7925 114.1143 145.8505 557423.7914 -13.5565 -13.3779 PRESSURE: 2975200 -44.981 -145.305 23.9742 -145.304 8.48136 107.474 23.9757 107.473 166.914 GPRESSURE: 2975200 -29.4541 -61.0349 11.6706 -119.923 75.984 90.5335 -33.8088 34.129 180.69 PRESSAVG: 2975200 6.25594 18.5432 27.0943 18.5433 -21.191 10.5612 27.0942 10.5612 44.9802 GPRESSAVG: 2975200 4.37511 20.9084 28.9237 17.0792 -19.8276 12.9168 26.6934 8.54341 44.524 TIMING: 2975200 CPU: 8881.25, 0.00307537/step Wall: 8881.25, 0.00307537/step, 1.72973 hours remaining, 205.933594 MB of memory in use. ENERGY: 2975200 761.4835 2123.5948 1940.0174 108.4210 -206547.2750 17894.0051 0.0000 0.0000 34403.4189 -149316.3344 300.4536 -183719.7533 -149218.2073 299.2163 43.4715 75.7401 556662.5824 10.0151 9.6905 PRESSURE: 2975400 109.525 46.6617 27.8112 46.6616 -102.626 2.03407 27.8132 2.03344 -126.562 GPRESSURE: 2975400 126.378 -63.9636 -16.2498 96.8449 -72.3179 27.1609 75.9218 46.3293 -76.0266 PRESSAVG: 2975400 -64.1221 -36.1814 8.20514 -36.1814 13.7014 3.17574 8.20509 3.17576 56.8211 GPRESSAVG: 2975400 -62.1456 -37.8111 6.43229 -34.6012 11.6902 1.65418 10.603 2.293 57.0365 TIMING: 2975400 CPU: 8881.86, 0.00306166/step Wall: 8881.86, 0.00306166/step, 1.72185 hours remaining, 205.933594 MB of memory in use. ENERGY: 2975400 685.0709 2143.2253 1938.4866 108.9209 -205819.9029 17488.5047 0.0000 0.0000 34277.3627 -149178.3318 299.3527 -183455.6945 -149079.4449 299.5360 -39.8878 -7.3223 557522.7659 2.1335 2.1937 PRESSURE: 2975600 86.5002 -31.6988 -20.3499 -31.6975 -143.104 85.0105 -20.3507 85.0093 127.523 GPRESSURE: 2975600 107.522 -47.4544 24.1759 -20.33 -77.4865 66.1279 -2.73162 103.3 141.213 PRESSAVG: 2975600 -5.19996 54.0344 16.4815 54.0343 -60.4723 54.6758 16.4814 54.6758 100.245 GPRESSAVG: 2975600 -6.05561 52.3611 17.6903 54.3204 -59.9525 55.2481 13.6759 57.0816 101.063 TIMING: 2975600 CPU: 8882.48, 0.00306066/step Wall: 8882.48, 0.00306066/step, 1.72111 hours remaining, 205.933594 MB of memory in use. ENERGY: 2975600 745.4521 2157.0910 1942.2494 116.0673 -206250.6386 17821.3280 0.0000 0.0000 34244.5898 -149223.8611 299.0665 -183468.4508 -149126.4562 299.2235 23.6396 57.0827 556802.6310 11.5242 11.6850 PRESSURE: 2975800 100.845 -34.6459 42.764 -34.6457 -112.786 96.6447 42.7646 96.6441 88.1685 GPRESSURE: 2975800 211.078 -75.3599 82.4038 10.8786 -158.236 60.4025 12.6011 111.501 113.754 PRESSAVG: 2975800 42.5107 5.63327 32.4022 5.63324 2.88332 24.9564 32.4023 24.9563 -59.629 GPRESSAVG: 2975800 45.0295 6.91727 28.9592 5.12573 3.20298 26.5308 34.6693 22.0532 -62.3761 TIMING: 2975800 CPU: 8883.08, 0.00302501/step Wall: 8883.08, 0.00302501/step, 1.7009 hours remaining, 205.933594 MB of memory in use. ENERGY: 2975800 751.0551 2081.8878 1916.2041 118.1216 -206287.6309 17974.1962 0.0000 0.0000 34307.8756 -149138.2904 299.6192 -183446.1661 -149047.9755 299.8706 25.4090 55.5321 557480.0951 -4.7450 -4.7145 PRESSURE: 2976000 222.382 -152.168 -63.621 -152.169 31.2981 -6.39778 -63.6207 -6.39825 -26.876 GPRESSURE: 2976000 240.746 -161.209 45.5545 -34.2624 76.3371 30.5648 -112.354 1.0234 10.1536 PRESSAVG: 2976000 -4.71378 22.2671 -16.9108 22.2671 -57.9068 17.0443 -16.9108 17.0444 63.1895 GPRESSAVG: 2976000 -7.73514 22.0543 -14.2631 23.3552 -57.7112 16.4179 -18.0348 17.3859 65.6904 TIMING: 2976000 CPU: 8883.69, 0.0030526/step Wall: 8883.69, 0.0030526/step, 1.71624 hours remaining, 205.933594 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: 2976000 711.3710 2125.5339 1928.6068 116.9442 -206221.8632 17795.9209 0.0000 0.0000 34245.6429 -149297.8436 299.0757 -183543.4865 -149205.2442 299.5205 75.6015 109.0790 557610.3139 0.1896 0.0813 PRESSURE: 2976200 -297.057 16.4506 -171.422 16.4509 59.4678 19.235 -171.422 19.2326 -205.468 GPRESSURE: 2976200 -250.406 47.2798 -155.585 75.526 99.0001 -33.141 -289.899 43.3749 -186.755 PRESSAVG: 2976200 -17.1307 -18.4618 -1.22224 -18.462 15.5681 43.5313 -1.22221 43.5313 12.2308 GPRESSAVG: 2976200 -17.3652 -16.879 0.0136458 -19.5617 15.2292 41.1402 -3.20942 43.7886 13.0276 TIMING: 2976200 CPU: 8884.31, 0.00307607/step Wall: 8884.31, 0.00307607/step, 1.72926 hours remaining, 205.933594 MB of memory in use. ENERGY: 2976200 739.5361 2070.6546 1941.4815 117.4450 -206263.4957 17772.1177 0.0000 0.0000 34292.7531 -149329.5077 299.4871 -183622.2608 -149229.0662 299.2013 -147.6857 -112.7202 559016.8779 3.5561 3.6305 LDB: ============= START OF LOAD BALANCING ============== 8887.75 LDB: ============== END OF LOAD BALANCING =============== 8887.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8887.75 LDB: ============= START OF LOAD BALANCING ============== 8888.06 LDB: Largest compute 4820 load 0.032341 is 27.4% of average load 0.118111 LDB: Average compute 0.001735 is 1.5% of average load 0.118111 LDB: TIME 8888.06 LOAD: AVG 0.118111 MAX 0.211728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.215 MB LDB: TIME 8888.06 LOAD: AVG 0.118111 MAX 0.211728 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.348 MB LDB: TIME 8888.06 LOAD: AVG 0.118111 MAX 0.211728 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.348 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8888.06 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8888.06 PRESSURE: 2976400 -96.6797 -47.717 64.1131 -47.7174 27.1297 76.6482 64.1121 76.6472 141.103 GPRESSURE: 2976400 9.37531 -13.481 98.1299 -80.2036 65.5627 165.088 68.3062 -25.4507 100.007 PRESSAVG: 2976400 -92.2741 -19.4351 16.3097 -19.4351 9.19647 4.34851 16.3095 4.34847 26.743 GPRESSAVG: 2976400 -90.7555 -20.3778 13.4798 -18.6994 9.54285 5.25011 20.2811 4.83717 24.7562 TIMING: 2976400 CPU: 8884.93, 0.00314164/step Wall: 8884.93, 0.00314164/step, 1.76595 hours remaining, 208.421875 MB of memory in use. ENERGY: 2976400 739.3269 2126.1008 1917.3250 112.1135 -206628.5470 18056.7250 0.0000 0.0000 34128.7180 -149548.2377 298.0546 -183676.9557 -149458.2769 298.7685 23.8508 58.3150 557313.6733 -18.7782 -18.8188 PRESSURE: 2976600 18.0981 87.5915 56.4822 87.5903 63.0804 -15.621 56.4825 -15.6203 260.937 GPRESSURE: 2976600 41.7211 70.003 -58.0525 94.6729 151.394 61.8895 171.165 18.5025 249.846 PRESSAVG: 2976600 -24.2636 -70.1067 -35.7823 -70.1068 -16.0432 25.2204 -35.7822 25.2204 51.9256 GPRESSAVG: 2976600 -25.578 -69.0128 -34.024 -70.5799 -15.693 24.5183 -37.8314 25.3627 52.2521 TIMING: 2976600 CPU: 8885.56, 0.00310485/step Wall: 8885.56, 0.00310485/step, 1.7451 hours remaining, 208.625000 MB of memory in use. ENERGY: 2976600 763.5664 2060.9081 1909.4558 118.5827 -206847.4309 18199.5422 0.0000 0.0000 34089.6587 -149705.7170 297.7135 -183795.3757 -149608.5619 298.0111 114.0384 147.6539 557642.8253 3.8729 3.6604 PRESSURE: 2976800 -133.791 254.35 -68.8944 254.351 101.643 12.2342 -68.8947 12.2339 95.9849 GPRESSURE: 2976800 -69.1841 226.093 -28.6152 215.069 36.2248 -32.3682 -9.91218 -1.46122 197.669 PRESSAVG: 2976800 -54.7077 31.5816 -5.5588 31.5816 39.9385 59.237 -5.55881 59.2371 16.3954 GPRESSAVG: 2976800 -54.2866 32.47 -4.47222 30.8979 37.927 58.9422 -6.43603 59.9586 17.9952 TIMING: 2976800 CPU: 8886.17, 0.00305031/step Wall: 8886.17, 0.00305031/step, 1.71427 hours remaining, 208.625000 MB of memory in use. ENERGY: 2976800 780.6707 2083.4993 1943.1169 113.1699 -206695.1279 17954.5819 0.0000 0.0000 34180.5197 -149639.5694 298.5070 -183820.0891 -149539.3975 298.4546 21.2789 54.9031 556812.9419 0.5421 0.5452 PRESSURE: 2977000 158.293 -143.667 76.2187 -143.668 -259.873 -104.973 76.2196 -104.975 90.3471 GPRESSURE: 2977000 221.92 -132.015 74.9165 -124.2 -215.208 -78.6484 17.7344 -87.1186 84.871 PRESSAVG: 2977000 -31.6108 15.4486 11.0365 15.4486 -34.2022 17.3034 11.0365 17.3034 64.8105 GPRESSAVG: 2977000 -33.0099 13.5305 9.54543 16.3841 -33.6698 18.6832 11.4376 15.6049 66.2403 TIMING: 2977000 CPU: 8886.77, 0.00304689/step Wall: 8886.77, 0.00304689/step, 1.71218 hours remaining, 208.625000 MB of memory in use. ENERGY: 2977000 734.8635 2097.9788 1924.7242 110.6751 -206455.2570 17772.8121 0.0000 0.0000 34124.3305 -149689.8727 298.0163 -183814.2032 -149586.8160 297.6604 -3.7445 30.5276 557198.9493 -0.3342 -0.1465 PRESSURE: 2977200 67.4868 111.076 170.036 111.077 -53.3409 -48.7469 170.036 -48.746 130.448 GPRESSURE: 2977200 49.7832 12.6646 125.738 52.6397 15.6287 -17.022 106.307 13.7276 167.46 PRESSAVG: 2977200 81.4051 17.6104 -39.9396 17.6105 -67.0901 11.722 -39.9396 11.722 -44.2615 GPRESSAVG: 2977200 83.3689 17.9312 -38.9962 18.3758 -67.7302 9.81124 -40.8247 13.4861 -45.8115 TIMING: 2977200 CPU: 8887.38, 0.00302605/step Wall: 8887.38, 0.00302604/step, 1.7003 hours remaining, 208.625000 MB of memory in use. ENERGY: 2977200 801.5056 2120.6358 1908.6928 106.7285 -206679.6220 18038.6213 0.0000 0.0000 34007.1876 -149696.2505 296.9932 -183703.4380 -149602.5582 297.6777 48.1979 77.6241 556305.1202 -9.9822 -10.0576 PRESSURE: 2977400 53.9781 71.34 -149.689 71.3408 2.84459 116.664 -149.689 116.664 -200.869 GPRESSURE: 2977400 43.1657 40.0178 -152.845 5.74525 67.2585 109.88 -139.492 177.355 -153.169 PRESSAVG: 2977400 98.5068 6.90783 16.3355 6.90789 -77.016 -53.2327 16.3356 -53.2327 -20.8444 GPRESSAVG: 2977400 97.0168 7.07849 15.7539 6.39587 -75.4211 -50.6291 18.0499 -54.6125 -21.0152 TIMING: 2977400 CPU: 8887.99, 0.0030505/step Wall: 8887.99, 0.0030505/step, 1.71387 hours remaining, 208.625000 MB of memory in use. ENERGY: 2977400 780.9048 2075.1815 1940.1040 108.2629 -206458.5578 17815.1120 0.0000 0.0000 34242.2224 -149496.7701 299.0458 -183738.9925 -149410.2151 298.0884 -48.0154 -14.2482 557071.9224 0.2154 0.1935 PRESSURE: 2977600 -100.911 4.84523 49.2165 4.84577 164.46 -55.7461 49.2167 -55.745 257.896 GPRESSURE: 2977600 -9.27837 23.7543 44.3456 -26.6246 150.524 -43.4013 109.848 -84.032 289.707 PRESSAVG: 2977600 58.7362 30.1682 5.8281 30.1682 -25.8339 -8.66682 5.82819 -8.66698 -45.2185 GPRESSAVG: 2977600 60.3012 29.12 4.13599 29.7327 -26.4285 -9.32417 6.12783 -8.08972 -45.8875 TIMING: 2977600 CPU: 8888.6, 0.00307128/step Wall: 8888.6, 0.00307128/step, 1.72538 hours remaining, 208.625000 MB of memory in use. ENERGY: 2977600 702.0705 2068.6709 1950.1357 109.1939 -206284.2134 17888.2990 0.0000 0.0000 33984.5128 -149581.3307 296.7952 -183565.8435 -149487.6280 297.9815 107.1481 143.6507 557881.8391 -4.1054 -4.0049 PRESSURE: 2977800 301.012 60.6594 36.8823 60.6595 56.9717 126.747 36.8824 126.747 3.40793 GPRESSURE: 2977800 341.253 97.0685 113.63 114.555 81.1199 167.896 -73.7887 113.032 35.6504 PRESSAVG: 2977800 -33.7979 4.25654 -36.4917 4.25658 20.2263 35.0923 -36.4915 35.0923 11.1763 GPRESSAVG: 2977800 -34.5265 5.72988 -35.7485 4.22402 19.8 35.3335 -35.895 33.8121 11.8169 TIMING: 2977800 CPU: 8889.22, 0.00306342/step Wall: 8889.22, 0.00306342/step, 1.72079 hours remaining, 208.625000 MB of memory in use. ENERGY: 2977800 737.4020 2044.5842 1930.8460 105.5423 -206464.6290 17894.1079 0.0000 0.0000 34116.5061 -149635.6405 297.9479 -183752.1466 -149543.8254 298.1738 120.4640 152.6744 557010.6631 -0.7984 -0.9699 PRESSURE: 2978000 -96.5843 75.0401 50.5903 75.0396 145.829 -3.60539 50.5899 -3.60677 103.04 GPRESSURE: 2978000 -87.1772 68.4412 17.2838 73.4037 191.798 53.4074 41.7971 -57.4411 153.412 PRESSAVG: 2978000 0.605314 -4.15541 10.244 -4.15536 28.8305 20.8385 10.2439 20.8385 -26.3852 GPRESSAVG: 2978000 -0.253411 -4.66739 10.6682 -2.68263 29.9149 19.9284 9.70173 21.7471 -26.5452 TIMING: 2978000 CPU: 8889.83, 0.00304608/step Wall: 8889.83, 0.00304608/step, 1.71088 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: 2978000 728.3745 2128.0748 1930.7807 108.8233 -206681.0908 17960.5068 0.0000 0.0000 34098.1907 -149726.3400 297.7880 -183824.5307 -149633.8776 297.9877 50.7616 86.0110 556548.7944 1.0169 1.0388 PRESSURE: 2978200 154.309 37.2606 -39.9598 37.2623 104.267 89.4459 -39.9597 89.4451 106.461 GPRESSURE: 2978200 208.673 -15.4144 61.8467 49.806 113.909 154.687 -58.7631 110.145 158.585 PRESSAVG: 2978200 25.4009 47.2827 -15.9898 47.2827 66.0378 -18.6784 -15.9898 -18.6784 -68.477 GPRESSAVG: 2978200 26.6942 49.321 -15.3794 44.8162 65.3719 -17.435 -16.835 -20.9652 -69.2198 TIMING: 2978200 CPU: 8890.44, 0.00306666/step Wall: 8890.44, 0.00306666/step, 1.72227 hours remaining, 208.625000 MB of memory in use. ENERGY: 2978200 756.7145 2034.5364 1931.0458 104.4564 -206855.6105 18206.0697 0.0000 0.0000 34266.7862 -149556.0017 299.2604 -183822.7878 -149466.1342 298.1222 121.6790 160.3890 557839.4259 7.6539 7.6154 PRESSURE: 2978400 -131.524 27.3095 -10.6553 27.3077 -92.0131 -71.2566 -10.6559 -71.2548 -157.262 GPRESSURE: 2978400 -117.219 76.8724 -2.4893 14.4303 -90.3768 -97.158 -85.1305 -63.9055 -75.4446 PRESSAVG: 2978400 -62.1881 19.0222 -11.2866 19.0221 46.8465 -20.4781 -11.2867 -20.4782 42.6698 GPRESSAVG: 2978400 -63.4052 17.4914 -9.96247 20.3424 47.9626 -20.6307 -10.9672 -17.1906 42.7053 TIMING: 2978400 CPU: 8891.04, 0.00301626/step Wall: 8891.04, 0.00301626/step, 1.6938 hours remaining, 208.625000 MB of memory in use. ENERGY: 2978400 780.0988 2110.5493 1931.5021 106.6243 -206430.6272 17744.5757 0.0000 0.0000 34280.7169 -149476.5601 299.3820 -183757.2770 -149382.4227 298.6327 -126.9329 -94.3467 557732.8023 9.1094 9.0876 PRESSURE: 2978600 12.4971 -36.0638 -137.19 -36.0632 30.7923 23.0727 -137.19 23.0728 88.277 GPRESSURE: 2978600 16.9031 -26.8772 -151.772 -3.57444 102.303 72.0176 -98.8258 -27.2424 106.425 PRESSAVG: 2978600 -65.7579 36.99 -20.1867 36.9898 57.8779 -16.9798 -20.1867 -16.9798 6.29482 GPRESSAVG: 2978600 -64.9922 36.6021 -20.3322 36.3359 57.5804 -16.393 -22.0139 -19.5546 6.01944 TIMING: 2978600 CPU: 8891.65, 0.00303374/step Wall: 8891.65, 0.00303374/step, 1.70344 hours remaining, 208.625000 MB of memory in use. ENERGY: 2978600 767.2484 2082.2061 1915.1584 128.0410 -206594.6212 17928.1268 0.0000 0.0000 34106.0774 -149667.7631 297.8569 -183773.8405 -149563.9694 298.3776 43.8555 75.2103 555380.0496 -0.5284 -0.4641 PRESSURE: 2978800 -337.472 116.161 29.1179 116.16 87.6871 108.197 29.1177 108.198 -100.33 GPRESSURE: 2978800 -348.141 61.5577 44.5408 161.962 150.558 125.386 22.1222 75.3577 -60.5834 PRESSAVG: 2978800 26.5615 42.6564 -39.3816 42.6564 34.4989 71.2882 -39.3816 71.2882 2.24736 GPRESSAVG: 2978800 26.8203 42.702 -40.7969 44.6284 34.2763 69.1447 -39.0567 72.9634 2.66393 TIMING: 2978800 CPU: 8892.26, 0.00303422/step Wall: 8892.26, 0.00303422/step, 1.70354 hours remaining, 208.625000 MB of memory in use. ENERGY: 2978800 739.7787 2128.0452 1923.1401 109.5786 -206444.7864 17730.8850 0.0000 0.0000 34311.7123 -149501.6465 299.6527 -183813.3588 -149403.4986 298.7732 -116.7050 -86.0554 557069.2442 21.1026 21.2535 PRESSURE: 2979000 118.274 -104.312 -38.3261 -104.312 149.398 -73.2314 -38.3249 -73.2312 -176.244 GPRESSURE: 2979000 108.089 -71.4922 -9.50982 -119.665 258.152 -32.2174 -39.6178 -98.6071 -197.649 PRESSAVG: 2979000 -80.5124 -14.3568 36.6307 -14.3568 11.5334 -0.19324 36.6307 -0.193338 48.4429 GPRESSAVG: 2979000 -80.6323 -14.0513 35.1688 -15.6803 11.7856 0.808596 36.6711 -1.15008 48.4142 TIMING: 2979000 CPU: 8892.87, 0.00305397/step Wall: 8892.87, 0.00305397/step, 1.71446 hours remaining, 208.625000 MB of memory in use. ENERGY: 2979000 750.5683 2070.8141 1937.2396 111.6828 -206380.5726 17945.2584 0.0000 0.0000 34074.6550 -149490.3545 297.5824 -183565.0094 -149394.3828 298.5325 30.4763 56.1975 558424.8882 -6.8454 -6.8108 PRESSURE: 2979200 54.4477 -71.3516 105.708 -71.3513 -17.7703 -87.741 105.707 -87.742 -66.3827 GPRESSURE: 2979200 67.0841 -51.8805 65.2573 -135.143 -39.8867 -55.9408 168.41 -79.5561 46.357 PRESSAVG: 2979200 -92.1601 11.707 20.0972 11.7071 32.7597 37.2288 20.0972 37.2288 52.4189 GPRESSAVG: 2979200 -92.1968 11.3253 21.8579 11.8052 31.9528 38.6468 21.4981 36.2541 53.2787 TIMING: 2979200 CPU: 8893.48, 0.00307395/step Wall: 8893.48, 0.00307395/step, 1.72551 hours remaining, 208.625000 MB of memory in use. ENERGY: 2979200 780.9760 2090.0359 1922.8125 110.3978 -206102.1285 17698.5636 0.0000 0.0000 34118.0543 -149381.2884 297.9615 -183499.3427 -149285.8353 298.3124 -9.9017 24.5181 558587.8821 -2.3272 -2.3218 PRESSURE: 2979400 -127.462 -19.2008 -24.7633 -19.2005 18.9543 66.2936 -24.7637 66.2945 169.683 GPRESSURE: 2979400 -57.0952 62.3706 -13.6818 -114.117 35.2287 36.537 -64.3651 118.289 188.129 PRESSAVG: 2979400 -21.0901 1.18975 0.161334 1.18971 12.8138 78.442 0.161322 78.4419 8.43995 GPRESSAVG: 2979400 -20.6999 2.52478 1.59415 0.738021 12.9071 79.0131 -0.225351 80.6598 7.61004 TIMING: 2979400 CPU: 8894.09, 0.00304711/step Wall: 8894.09, 0.00304711/step, 1.71028 hours remaining, 208.625000 MB of memory in use. ENERGY: 2979400 718.0039 2100.1489 1912.0757 106.5829 -206318.2930 17856.1234 0.0000 0.0000 34138.7292 -149486.6291 298.1420 -183625.3583 -149394.0558 298.7695 20.3916 55.4208 557325.2394 0.0545 -0.0609 PRESSURE: 2979600 -89.5329 -32.1078 -48.9335 -32.1065 -41.5036 -36.9737 -48.9338 -36.9724 22.863 GPRESSURE: 2979600 -57.9029 22.4487 -58.2478 53.0553 12.4162 -33.2313 -36.0233 -20.7206 33.7858 PRESSAVG: 2979600 -78.1783 -5.71437 -16.957 -5.71426 -40.0617 29.6074 -16.957 29.6073 125.413 GPRESSAVG: 2979600 -78.5123 -7.93729 -18.3111 -3.69989 -39.1049 28.217 -16.5929 29.3354 124.017 TIMING: 2979600 CPU: 8894.7, 0.00305804/step Wall: 8894.7, 0.00305804/step, 1.71624 hours remaining, 208.625000 MB of memory in use. ENERGY: 2979600 726.3699 2131.2282 1948.5340 113.8973 -206320.6690 17758.5978 0.0000 0.0000 34295.6861 -149346.3557 299.5128 -183642.0418 -149254.8420 298.6917 -36.0578 -3.9003 557026.8997 2.3910 2.1333 PRESSURE: 2979800 160.493 -49.0551 70.9964 -49.0548 -129.448 192.154 70.9981 192.155 -319.036 GPRESSURE: 2979800 124.779 -11.5393 -22.6318 -131.107 -95.6293 175.179 187.443 171.521 -225.799 PRESSAVG: 2979800 19.7583 -22.9001 17.3479 -22.9001 -38.5811 15.5116 17.3481 15.5115 17.3679 GPRESSAVG: 2979800 20.0424 -22.6027 17.1482 -24.6568 -39.9226 14.6821 17.2807 14.9123 18.939 TIMING: 2979800 CPU: 8895.32, 0.00307026/step Wall: 8895.32, 0.00307026/step, 1.72293 hours remaining, 208.625000 MB of memory in use. ENERGY: 2979800 751.3634 2084.8196 1932.6459 117.7258 -206329.8966 17714.4444 0.0000 0.0000 34359.1346 -149369.7629 300.0669 -183728.8975 -149263.9004 298.8137 -95.9968 -65.5497 557920.5612 -0.4850 -0.3137 PRESSURE: 2980000 133.068 139.083 87.1714 139.083 244.451 189.614 87.1712 189.614 70.3317 GPRESSURE: 2980000 274.293 129.533 145.099 159.285 189.351 243.241 12.4393 229.569 80.7425 PRESSAVG: 2980000 12.2831 33.2062 -24.2889 33.2062 -77.5892 53.0259 -24.2889 53.0258 35.0216 GPRESSAVG: 2980000 12.9125 32.88 -26.414 32.9804 -77.3011 53.7653 -22.6626 54.6307 34.6089 TIMING: 2980000 CPU: 8895.93, 0.00307633/step Wall: 8895.93, 0.00307633/step, 1.72616 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: 2980000 731.6693 2103.8867 1919.9764 119.6120 -206536.7901 17954.9615 0.0000 0.0000 34263.0132 -149443.6711 299.2274 -183706.6843 -149344.7670 298.8448 149.2836 181.4622 555017.9388 -10.0948 -9.9265 PRESSURE: 2980200 88.4796 84.2311 39.035 84.2306 30.0337 -75.0585 39.0343 -75.0569 30.0273 GPRESSURE: 2980200 96.4046 -24.0451 105.692 249.82 56.5089 -26.4853 48.9628 -82.9945 86.8873 PRESSAVG: 2980200 -3.63209 36.5685 -7.05422 36.5685 55.0109 74.174 -7.05422 74.1741 1.70045 GPRESSAVG: 2980200 -4.76138 37.7457 -6.20776 37.993 56.0376 74.7188 -8.17068 73.2985 1.29643 TIMING: 2980200 CPU: 8896.54, 0.00305455/step Wall: 8896.54, 0.00305455/step, 1.71377 hours remaining, 208.625000 MB of memory in use. ENERGY: 2980200 718.5910 2123.0395 1947.9083 110.9798 -206304.0426 17787.5161 0.0000 0.0000 34209.5911 -149406.4169 298.7609 -183616.0080 -149316.5224 299.0326 49.5135 79.9336 554560.4499 17.6931 17.5242 LDB: ============= START OF LOAD BALANCING ============== 8899.98 LDB: ============== END OF LOAD BALANCING =============== 8899.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8899.98 LDB: ============= START OF LOAD BALANCING ============== 8900.29 LDB: Largest compute 4820 load 0.031278 is 26.5% of average load 0.118100 LDB: Average compute 0.001739 is 1.5% of average load 0.118100 LDB: TIME 8900.29 LOAD: AVG 0.1181 MAX 0.211218 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.566 MB LDB: TIME 8900.29 LOAD: AVG 0.1181 MAX 0.211218 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: TIME 8900.29 LOAD: AVG 0.1181 MAX 0.211218 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8900.29 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8900.3 PRESSURE: 2980400 -88.806 -68.8924 -81.4302 -68.8924 38.0203 179.397 -81.4297 179.398 -12.4216 GPRESSURE: 2980400 -14.4091 -58.0984 -62.4959 -81.6981 67.6805 213.806 -88.0889 223.006 -20.446 PRESSAVG: 2980400 30.0824 31.3154 35.6795 31.3153 39.0705 33.6697 35.6795 33.6698 -71.4232 GPRESSAVG: 2980400 30.0434 30.7449 38.7093 30.2839 38.279 33.348 33.1688 33.8736 -70.7702 TIMING: 2980400 CPU: 8897.17, 0.00312087/step Wall: 8897.17, 0.00312087/step, 1.75081 hours remaining, 206.363281 MB of memory in use. ENERGY: 2980400 732.8474 2087.9875 1960.2594 119.7542 -206177.5042 17628.1206 0.0000 0.0000 34390.0145 -149258.5208 300.3365 -183648.5352 -149158.7744 299.2597 -21.0691 10.9418 555989.1869 -0.7568 -0.8159 PRESSURE: 2980600 240.351 15.5202 -114.867 15.5205 101.632 -30.6163 -114.867 -30.6153 -59.9163 GPRESSURE: 2980600 240.761 65.8735 -52.6026 -11.7509 159.205 -129.257 -134.236 -42.7975 -12.0386 PRESSAVG: 2980600 22.7218 28.7697 -34.2732 28.7698 -15.7094 -15.5737 -34.2731 -15.5736 -59.6739 GPRESSAVG: 2980600 21.7911 29.4283 -36.833 29.3274 -15.2327 -15.8564 -31.7091 -15.7866 -58.8935 TIMING: 2980600 CPU: 8897.77, 0.00303128/step Wall: 8897.77, 0.00303128/step, 1.70038 hours remaining, 206.433594 MB of memory in use. ENERGY: 2980600 751.7113 2068.9768 1903.6550 110.7790 -206118.8129 17756.0246 0.0000 0.0000 34317.9860 -149209.6801 299.7075 -183527.6661 -149109.8517 299.0394 94.0222 129.3093 556583.5409 -17.5539 -17.4450 PRESSURE: 2980800 -199.817 57.1803 156.553 57.1789 -21.1155 97.1149 156.555 97.1136 71.342 GPRESSURE: 2980800 -206.347 62.6143 103.021 -7.71392 0.63035 42.6994 161.098 127.808 161.732 PRESSAVG: 2980800 -23.2285 19.6544 -34.7031 19.6543 10.8638 -3.19202 -34.7031 -3.19205 33.5599 GPRESSAVG: 2980800 -22.5188 21.1178 -34.844 19.5209 11.7381 -1.83112 -35.1148 -3.22809 32.7319 TIMING: 2980800 CPU: 8898.38, 0.0030507/step Wall: 8898.38, 0.0030507/step, 1.71111 hours remaining, 206.433594 MB of memory in use. ENERGY: 2980800 761.9772 2121.1706 1933.6292 110.2766 -206182.0130 17713.4504 0.0000 0.0000 34078.7618 -149462.7471 297.6183 -183541.5088 -149371.5997 298.7807 -49.8634 -14.6615 556263.5469 7.0651 7.3170 PRESSURE: 2981000 -17.4091 -37.6916 52.8447 -37.6924 12.8143 160.349 52.8437 160.348 -144.103 GPRESSURE: 2981000 35.5838 0.631073 51.7469 1.72342 -29.9989 197.508 74.9895 152.925 -52.3829 PRESSAVG: 2981000 45.238 -25.204 -29.3644 -25.204 2.72021 30.4492 -29.3646 30.4492 -30.7946 GPRESSAVG: 2981000 45.5868 -26.5457 -27.3879 -24.1124 2.96694 30.3725 -28.9184 29.8643 -31.2277 TIMING: 2981000 CPU: 8898.99, 0.00305332/step Wall: 8898.99, 0.00305332/step, 1.7124 hours remaining, 206.433594 MB of memory in use. ENERGY: 2981000 759.3100 2077.2789 1927.5727 108.4391 -206251.5111 17753.4150 0.0000 0.0000 34209.5838 -149415.9116 298.7608 -183625.4954 -149308.9575 298.0310 -49.5658 -15.5994 557556.7874 5.7212 5.7753 PRESSURE: 2981200 -125.128 -69.2527 199.828 -69.2533 -52.5706 32.5671 199.828 32.568 -6.33996 GPRESSURE: 2981200 -98.6009 -107.381 156.4 -77.5858 26.7275 -17.268 127.971 5.81777 -15.0369 PRESSAVG: 2981200 -37.5779 -25.2842 -33.9734 -25.2842 13.6521 16.7646 -33.9733 16.7646 2.42032 GPRESSAVG: 2981200 -36.595 -25.006 -37.7394 -25.7008 12.448 18.1926 -31.9566 18.216 2.99265 TIMING: 2981200 CPU: 8899.6, 0.00304503/step Wall: 8899.6, 0.00304503/step, 1.70759 hours remaining, 206.433594 MB of memory in use. ENERGY: 2981200 774.6769 2108.6141 1909.7377 116.8017 -206181.4264 17723.3707 0.0000 0.0000 33937.3324 -149610.8928 296.3832 -183548.2252 -149514.1599 298.7752 -61.3463 -28.9701 556402.1503 -7.1685 -7.0514 PRESSURE: 2981400 121.815 118.919 23.1202 118.918 -20.6628 67.2248 23.1199 67.2263 -10.3277 GPRESSURE: 2981400 196.15 61.0381 -41.3789 123.475 16.4613 49.0183 8.94222 54.7063 -15.5318 PRESSAVG: 2981400 4.05478 -36.0399 0.199463 -36.0399 6.48457 21.0028 0.19944 21.0028 -55.8951 GPRESSAVG: 2981400 3.74462 -34.6479 1.96996 -37.0189 6.85643 20.2327 0.285799 19.4853 -55.7772 TIMING: 2981400 CPU: 8900.22, 0.00306257/step Wall: 8900.22, 0.00306257/step, 1.71725 hours remaining, 206.433594 MB of memory in use. ENERGY: 2981400 773.5014 2077.9418 1963.5468 114.1120 -206706.1269 17946.0333 0.0000 0.0000 34124.8706 -149706.1210 298.0210 -183830.9916 -149605.1367 298.0760 30.2747 65.6930 555991.3958 -15.1186 -15.0587 PRESSURE: 2981600 -57.8261 50.1504 -54.5652 50.1502 76.001 -206.658 -54.5655 -206.659 -261.687 GPRESSURE: 2981600 40.1821 20.8758 -35.2001 52.0097 92.7171 -163.289 -60.6132 -271.59 -267.482 PRESSAVG: 2981600 48.2513 14.7713 -21.8868 14.7713 -1.29872 1.71908 -21.8867 1.71904 -50.6076 GPRESSAVG: 2981600 49.0205 11.888 -20.8558 17.8787 -1.62814 2.80182 -21.9782 0.124833 -50.722 TIMING: 2981600 CPU: 8900.82, 0.00303921/step Wall: 8900.82, 0.00303921/step, 1.70399 hours remaining, 206.433594 MB of memory in use. ENERGY: 2981600 767.9863 2086.8903 1946.9601 122.9109 -206383.7050 17798.8417 0.0000 0.0000 34132.4249 -149527.6909 298.0870 -183660.1158 -149429.4786 298.2193 -81.1706 -44.8608 557484.3129 -1.2184 -1.1099 PRESSURE: 2981800 -251.826 236.109 56.6962 236.109 -228.339 -64.8296 56.6969 -64.8297 -273.38 GPRESSURE: 2981800 -216.455 103.405 149.795 265.292 -209.04 -217.869 2.69238 48.0856 -236.663 PRESSAVG: 2981800 -6.67067 -53.0663 15.439 -53.0663 52.2068 -19.0521 15.439 -19.0522 -44.5498 GPRESSAVG: 2981800 -8.43091 -50.8637 14.5401 -55.064 52.7705 -20.8465 13.6765 -17.8766 -43.8587 TIMING: 2981800 CPU: 8901.44, 0.00308964/step Wall: 8901.44, 0.00308964/step, 1.73209 hours remaining, 206.433594 MB of memory in use. ENERGY: 2981800 759.5889 2119.0611 1929.3852 116.7727 -206371.9112 17688.1219 0.0000 0.0000 34131.2022 -149627.7792 298.0763 -183758.9814 -149526.8940 298.0142 -251.1816 -220.7191 558331.9431 0.3288 0.1603 PRESSURE: 2982000 -191.56 79.811 -62.4962 79.8116 -299.677 -177.203 -62.4965 -177.202 -229.7 GPRESSURE: 2982000 -181.476 167.443 -74.7621 49.9687 -229.03 -190.429 -24.0059 -122.704 -215.564 PRESSAVG: 2982000 -0.230177 25.922 -18.1662 25.9221 72.6127 -40.6083 -18.1662 -40.6085 -101.819 GPRESSAVG: 2982000 1.14993 25.2414 -18.2143 26.0899 72.4885 -41.7688 -18.3548 -39.4564 -102.915 TIMING: 2982000 CPU: 8902.06, 0.00306686/step Wall: 8902.06, 0.00306686/step, 1.71915 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: 2982000 748.1021 2060.4156 1928.3414 114.1564 -206402.8339 17552.6758 0.0000 0.0000 34262.1292 -149737.0134 299.2197 -183999.1426 -149637.1902 298.3859 -240.3120 -208.6898 558415.5484 -9.8122 -9.7590 PRESSURE: 2982200 -16.2675 169.275 1.01783 169.276 -279.156 -31.3444 1.01712 -31.3454 80.9065 GPRESSURE: 2982200 23.7998 146.845 -47.4447 132.74 -286.688 63.2819 69.261 -58.7529 149.748 PRESSAVG: 2982200 8.23252 24.41 -5.64263 24.41 -81.1174 -4.65482 -5.64263 -4.65483 38.9464 GPRESSAVG: 2982200 7.31645 23.0826 -7.2743 25.5281 -80.7852 -3.20232 -5.50854 -4.5897 39.8547 TIMING: 2982200 CPU: 8902.67, 0.00307882/step Wall: 8902.67, 0.00307882/step, 1.72568 hours remaining, 206.433594 MB of memory in use. ENERGY: 2982200 738.5639 2120.3519 1930.7072 119.5506 -206417.3303 17645.2744 0.0000 0.0000 34073.9990 -149788.8832 297.5767 -183862.8823 -149689.3104 297.7847 -71.5057 -37.7134 557254.2298 -11.3128 -11.2047 PRESSURE: 2982400 -189.409 -247.152 116.047 -247.151 228.28 93.2489 116.047 93.2473 44.1095 GPRESSURE: 2982400 -196.023 -241.133 108.52 -177.528 248.284 88.1419 56.0645 72.771 112.077 PRESSAVG: 2982400 9.92876 -23.228 -19.0104 -23.228 -19.4488 -24.1683 -19.0105 -24.1683 -12.3476 GPRESSAVG: 2982400 10.8286 -21.9047 -15.8873 -22.3146 -21.5084 -24.2352 -18.4206 -24.4768 -11.0255 TIMING: 2982400 CPU: 8903.28, 0.00303744/step Wall: 8903.28, 0.00303744/step, 1.70232 hours remaining, 206.433594 MB of memory in use. ENERGY: 2982400 750.9928 2074.8716 1927.2267 116.9841 -206621.6278 18026.3258 0.0000 0.0000 34031.2547 -149693.9721 297.2034 -183725.2268 -149601.2069 297.1619 27.6602 54.7795 558245.9284 -7.2892 -7.2351 PRESSURE: 2982600 -273.629 -29.4216 93.2246 -29.4209 -65.0881 -104.951 93.2238 -104.95 -181.348 GPRESSURE: 2982600 -219.471 -12.9267 67.9779 -60.9179 -87.7067 -101.533 62.1138 -217.807 -91.9844 PRESSAVG: 2982600 -38.2663 -13.2738 25.0203 -13.2738 -10.7007 -3.97376 25.0204 -3.97374 -3.50625 GPRESSAVG: 2982600 -38.486 -12.9957 23.3087 -14.1576 -8.93372 -5.43776 25.7251 -3.186 -4.91434 TIMING: 2982600 CPU: 8903.88, 0.00303176/step Wall: 8903.88, 0.00303176/step, 1.69897 hours remaining, 206.433594 MB of memory in use. ENERGY: 2982600 708.4992 2067.7217 1905.3708 107.3041 -206284.6274 17638.3394 0.0000 0.0000 34209.2725 -149648.1196 298.7581 -183857.3921 -149546.9993 297.4098 -173.3550 -133.0542 556561.6701 -17.4911 -17.4447 PRESSURE: 2982800 -83.7228 -83.4867 -196.436 -83.4857 -238.034 -5.76679 -196.436 -5.76848 -72.9909 GPRESSURE: 2982800 -46.0759 -148.467 -241.729 79.7714 -217.733 -54.1362 -153.413 32.4304 -27.3709 PRESSAVG: 2982800 -38.1026 14.6607 -13.428 14.6607 21.0878 -11.9321 -13.428 -11.9322 2.07913 GPRESSAVG: 2982800 -38.3361 14.9608 -12.24 13.8464 21.5913 -9.69066 -15.0411 -12.8294 1.61093 TIMING: 2982800 CPU: 8904.49, 0.00301973/step Wall: 8904.49, 0.00301973/step, 1.69205 hours remaining, 206.433594 MB of memory in use. ENERGY: 2982800 761.4360 2107.0827 1955.8378 116.0084 -206308.6014 17728.0294 0.0000 0.0000 34322.4670 -149317.7401 299.7466 -183640.2070 -149216.8964 297.8574 -131.5827 -97.0601 558370.8054 -4.9786 -5.0446 PRESSURE: 2983000 -184.051 42.1348 -21.3803 42.1371 -63.5719 -68.2671 -21.3783 -68.2652 -25.9371 GPRESSURE: 2983000 -171.361 -19.9 -16.5479 92.9019 15.0923 -135.902 -0.0504385 -31.3197 -12.8641 PRESSAVG: 2983000 -18.2254 -9.91136 -20.8408 -9.91132 -18.8113 -11.1311 -20.8409 -11.131 24.067 GPRESSAVG: 2983000 -17.7266 -11.7929 -22.3185 -9.83686 -19.9986 -12.8501 -20.6057 -10.5585 24.3659 TIMING: 2983000 CPU: 8905.09, 0.00301539/step Wall: 8905.09, 0.00301539/step, 1.68946 hours remaining, 206.636719 MB of memory in use. ENERGY: 2983000 748.6451 2136.9529 1935.6207 111.2782 -206235.1430 17721.2855 0.0000 0.0000 34162.5349 -149418.8257 298.3499 -183581.3606 -149324.3198 298.8689 -91.1866 -56.3777 556799.9718 -4.3232 -4.4531 PRESSURE: 2983200 51.4156 59.034 24.0263 59.0339 153.991 -60.0237 24.0269 -60.0239 -8.49541 GPRESSURE: 2983200 21.2694 38.8894 20.452 80.3768 215.532 -4.00761 22.8546 -58.9981 64.9142 PRESSAVG: 2983200 -4.277 37.1829 -11.9914 37.1828 3.06523 -4.64587 -11.9913 -4.64598 -12.8485 GPRESSAVG: 2983200 -4.63962 37.5568 -13.0621 37.5756 2.80008 -4.63094 -9.99913 -4.4408 -12.9098 TIMING: 2983200 CPU: 8905.71, 0.00306737/step Wall: 8905.71, 0.00306737/step, 1.71841 hours remaining, 206.636719 MB of memory in use. ENERGY: 2983200 762.7370 2123.2478 1924.2957 99.7114 -206411.0246 17884.7532 0.0000 0.0000 34240.1598 -149376.1197 299.0278 -183616.2795 -149282.9224 299.2818 65.6369 100.5718 555405.1686 -4.6867 -4.9164 PRESSURE: 2983400 -36.1743 -47.592 -143.909 -47.592 -196.576 70.1156 -143.909 70.1135 -6.80763 GPRESSURE: 2983400 3.97601 -66.1655 -121.748 -33.9313 -183.482 136.94 -120.186 110.132 26.5684 PRESSAVG: 2983400 -17.184 38.0226 -4.2126 38.0226 36.3927 0.795961 -4.21259 0.79617 8.05742 GPRESSAVG: 2983400 -17.5407 40.6667 -1.34078 36.9528 36.7012 1.10468 -5.63326 1.07829 8.05562 TIMING: 2983400 CPU: 8906.32, 0.00307297/step Wall: 8906.32, 0.00307297/step, 1.72138 hours remaining, 206.636719 MB of memory in use. ENERGY: 2983400 766.7759 2130.8818 1909.6069 107.1583 -206209.3197 17692.3038 0.0000 0.0000 34231.2018 -149371.3912 298.9496 -183602.5929 -149272.4671 299.1253 -79.8528 -50.9791 556693.2259 9.0887 9.0721 PRESSURE: 2983600 -170.008 -73.3868 50.3681 -73.387 95.5131 -37.1266 50.3682 -37.1255 34.1917 GPRESSURE: 2983600 -112.56 -86.9717 101.718 -170.439 99.0279 -85.5175 56.5646 52.1582 64.8753 PRESSAVG: 2983600 16.486 1.98049 -16.495 1.9805 -1.41383 -33.1052 -16.4951 -33.1051 -53.0714 GPRESSAVG: 2983600 16.8442 -0.161024 -17.0569 1.52706 -0.945078 -33.2207 -15.6098 -33.8922 -53.8658 TIMING: 2983600 CPU: 8906.94, 0.00307602/step Wall: 8906.94, 0.00307602/step, 1.72292 hours remaining, 206.636719 MB of memory in use. ENERGY: 2983600 764.0165 2139.7557 1935.9649 114.5778 -206253.7143 17809.9776 0.0000 0.0000 34197.8635 -149291.5582 298.6584 -183489.4218 -149195.8870 299.2149 -13.4343 17.1143 558006.5123 -12.6664 -12.6555 PRESSURE: 2983800 -228.336 -21.194 -56.3125 -21.1928 -14.2519 -47.0518 -56.3118 -47.0524 -29.404 GPRESSURE: 2983800 -205.104 8.11376 37.0517 -35.0625 25.8143 -31.4919 -113.282 -67.654 22.2807 PRESSAVG: 2983800 -19.7418 34.3898 -13.6872 34.3897 -29.2489 -47.3615 -13.6871 -47.3615 32.1191 GPRESSAVG: 2983800 -19.6899 33.9542 -13.6006 35.6471 -29.7316 -45.6484 -13.4681 -47.5808 32.4593 TIMING: 2983800 CPU: 8907.56, 0.00312961/step Wall: 8907.56, 0.00312961/step, 1.75275 hours remaining, 206.636719 MB of memory in use. ENERGY: 2983800 770.8760 2127.6160 1951.1021 113.1555 -206131.7742 17837.9827 0.0000 0.0000 34070.3678 -149260.6741 297.5450 -183331.0419 -149166.4821 298.4653 -90.6640 -52.3362 557819.0209 -5.6239 -5.6541 PRESSURE: 2984000 164.063 49.0203 123.532 49.0217 -149.864 -81.4684 123.531 -81.4698 106.918 GPRESSURE: 2984000 204.304 1.1551 55.4835 62.1425 -100.622 -34.524 195.699 -92.3279 121.349 PRESSAVG: 2984000 22.5828 -22.0589 -16.3705 -22.0588 11.8323 -47.1961 -16.3705 -47.1962 -34.4522 GPRESSAVG: 2984000 22.2662 -22.0013 -17.4232 -21.4346 12.0095 -46.0452 -15.4035 -47.0932 -33.7106 TIMING: 2984000 CPU: 8908.18, 0.00309975/step Wall: 8908.18, 0.00309975/step, 1.73586 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: 2984000 737.1314 2123.0856 1912.9361 115.0796 -206439.6964 17897.4387 0.0000 0.0000 34327.6515 -149326.3735 299.7919 -183654.0250 -149230.8358 298.5656 40.3725 75.0104 558384.3097 -0.0124 0.1884 PRESSURE: 2984200 -30.047 12.3022 76.1974 12.3018 19.8878 73.1576 76.1964 73.1568 -49.7769 GPRESSURE: 2984200 19.4219 19.3096 104.796 -99.2428 54.2051 127.95 64.7239 -28.8608 -31.6071 PRESSAVG: 2984200 92.7355 -14.7855 18.9642 -14.7856 39.6708 39.823 18.9642 39.8232 -77.1367 GPRESSAVG: 2984200 93.3838 -15.2881 18.0436 -14.3848 39.0886 37.2788 18.3875 39.6993 -76.9504 TIMING: 2984200 CPU: 8908.8, 0.00308368/step Wall: 8908.8, 0.00308368/step, 1.72669 hours remaining, 206.636719 MB of memory in use. ENERGY: 2984200 776.2184 2121.3998 1924.7023 106.3856 -206622.7068 18133.6210 0.0000 0.0000 34389.1251 -149171.2546 300.3288 -183560.3797 -149076.6833 299.2636 -19.9787 14.0066 556365.3688 18.4232 18.5073 LDB: ============= START OF LOAD BALANCING ============== 8912.23 LDB: ============== END OF LOAD BALANCING =============== 8912.23 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8912.23 LDB: ============= START OF LOAD BALANCING ============== 8912.54 LDB: Largest compute 4820 load 0.031053 is 26.3% of average load 0.118036 LDB: Average compute 0.001740 is 1.5% of average load 0.118036 LDB: TIME 8912.54 LOAD: AVG 0.118036 MAX 0.21152 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.828 MB LDB: TIME 8912.54 LOAD: AVG 0.118036 MAX 0.21152 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.062 MB LDB: TIME 8912.54 LOAD: AVG 0.118036 MAX 0.21152 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.062 MB LDB: ============== END OF LOAD BALANCING =============== 8912.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8912.55 PRESSURE: 2984400 -43.7452 30.5693 -132.916 30.5701 -185.367 101.777 -132.916 101.776 -18.3635 GPRESSURE: 2984400 -5.66343 -19.4027 -106.136 19.2564 -196.913 109.645 -192.4 164.642 50.2946 PRESSAVG: 2984400 14.9848 -12.3097 51.1293 -12.3097 -41.1094 -2.85976 51.1294 -2.85986 -3.15459 GPRESSAVG: 2984400 14.0599 -11.0864 52.8523 -14.5607 -40.0321 -2.83308 50.3707 -2.16122 -3.48242 TIMING: 2984400 CPU: 8909.42, 0.00309874/step Wall: 8909.42, 0.00309874/step, 1.73495 hours remaining, 205.429688 MB of memory in use. ENERGY: 2984400 730.0340 2111.8897 1925.8763 109.0983 -206125.9362 17599.4304 0.0000 0.0000 34383.0904 -149266.5171 300.2761 -183649.6075 -149161.5966 299.4442 -82.4920 -50.7605 557025.3542 -9.7597 -9.8182 PRESSURE: 2984600 56.2723 -42.4837 35.8516 -42.4834 91.4029 79.2647 35.853 79.2639 40.8052 GPRESSURE: 2984600 82.708 -73.823 10.2509 -24.8927 98.1555 97.7068 30.0838 76.6819 114.789 PRESSAVG: 2984600 56.1788 -2.76532 23.2952 -2.76526 -66.4739 78.0246 23.2952 78.0247 44.324 GPRESSAVG: 2984600 56.6426 -3.29736 21.9994 -0.906031 -66.5791 77.9254 24.5285 79.0895 44.1937 TIMING: 2984600 CPU: 8910.02, 0.00302895/step Wall: 8910.02, 0.00302895/step, 1.69571 hours remaining, 205.429688 MB of memory in use. ENERGY: 2984600 735.8774 2126.4391 1915.6048 112.4207 -206280.1626 17808.0349 0.0000 0.0000 34315.8530 -149265.9326 299.6889 -183581.7856 -149170.3881 299.5468 62.8268 98.5510 555328.5378 11.3430 11.4191 PRESSURE: 2984800 -63.9646 -151.654 37.5452 -151.653 -208.643 -54.1585 37.5451 -54.1583 -146.835 GPRESSURE: 2984800 -40.1317 -99.3771 72.1528 -170.783 -164.057 -14.6552 10.8296 -53.6265 -124.053 PRESSAVG: 2984800 35.7138 26.8215 -9.38889 26.8216 -3.62008 -2.18437 -9.38887 -2.18433 20.519 GPRESSAVG: 2984800 35.9166 24.903 -5.03081 28.8885 -3.4361 -2.00435 -11.5754 -3.80063 19.7734 TIMING: 2984800 CPU: 8910.64, 0.00306633/step Wall: 8910.64, 0.00306633/step, 1.71646 hours remaining, 205.429688 MB of memory in use. ENERGY: 2984800 800.2098 2130.9169 1909.7950 97.6541 -206280.3719 17643.6597 0.0000 0.0000 34405.0507 -149293.0857 300.4679 -183698.1364 -149200.3840 299.3465 -139.8141 -109.4141 557343.6342 17.5376 17.4180 PRESSURE: 2985000 -205.306 -28.3459 -32.5974 -28.3451 -305.816 -14.9031 -32.5972 -14.9036 152.379 GPRESSURE: 2985000 -190.622 62.4423 -11.9201 -58.9413 -242.897 8.2204 -19.7201 -11.5639 177.55 PRESSAVG: 2985000 1.97615 -11.189 -0.7272 -11.189 -58.3666 -11.736 -0.727159 -11.736 49.4574 GPRESSAVG: 2985000 1.84123 -9.91593 -4.34864 -12.6448 -59.594 -11.0413 0.983815 -10.6013 50.4328 TIMING: 2985000 CPU: 8911.25, 0.00307608/step Wall: 8911.25, 0.00307608/step, 1.72175 hours remaining, 205.429688 MB of memory in use. ENERGY: 2985000 763.2058 2141.6758 1926.1205 112.8514 -206128.7546 17692.6120 0.0000 0.0000 34195.7202 -149296.5688 298.6397 -183492.2890 -149200.5381 299.2395 -119.5809 -85.3228 557921.2318 -2.3110 -2.4400 PRESSURE: 2985200 -333.109 -14.3333 77.9423 -14.3342 -163.661 38.3363 77.9427 38.3359 -249.035 GPRESSURE: 2985200 -326.017 -85.5355 78.8126 80.6593 -123.67 44.4753 51.47 56.1103 -190.818 PRESSAVG: 2985200 -29.071 -35.642 5.83941 -35.6419 -74.3826 12.1904 5.83946 12.1904 86.9896 GPRESSAVG: 2985200 -29.9626 -36.0037 6.37467 -35.0982 -72.6507 12.933 4.21701 9.657 86.1567 TIMING: 2985200 CPU: 8911.86, 0.00306488/step Wall: 8911.86, 0.00306488/step, 1.71531 hours remaining, 205.628906 MB of memory in use. ENERGY: 2985200 769.4180 2095.0913 1945.1808 111.3967 -206151.7006 17655.2677 0.0000 0.0000 34244.6986 -149330.6475 299.0675 -183575.3461 -149242.5767 299.4971 -248.6016 -213.5014 559272.1505 -5.4880 -5.4855 PRESSURE: 2985400 -237.449 107.198 17.0472 107.197 51.1843 -43.9738 17.0462 -43.976 185.383 GPRESSURE: 2985400 -219.243 90.5442 130.562 4.40581 99.7645 -47.2834 -63.5014 -41.5314 214.127 PRESSAVG: 2985400 -65.5915 23.0256 67.4922 23.0256 19.1639 5.77558 67.4922 5.77553 17.3112 GPRESSAVG: 2985400 -65.7129 23.3325 67.367 21.9383 17.86 4.6294 68.3354 9.30504 18.0361 TIMING: 2985400 CPU: 8912.48, 0.00306196/step Wall: 8912.48, 0.00306196/step, 1.71351 hours remaining, 205.628906 MB of memory in use. ENERGY: 2985400 750.7822 2087.5359 1932.5825 113.3315 -206284.0579 17875.8113 0.0000 0.0000 34103.3940 -149420.6206 297.8334 -183524.0145 -149327.1148 298.9271 -0.2940 31.5494 557497.9105 -9.7055 -9.9389 PRESSURE: 2985600 -41.8659 187.613 -10.8369 187.613 -167.542 -29.8683 -10.8359 -29.8688 144.206 GPRESSURE: 2985600 -2.99121 211.995 61.8183 186.396 -108.935 -41.1446 12.0048 -31.7677 139.817 PRESSAVG: 2985600 -23.3971 17.5398 35.6153 17.5399 42.8718 9.74745 35.6152 9.74731 -27.87 GPRESSAVG: 2985600 -21.9294 17.8594 37.9194 16.7113 42.5805 8.3426 35.9588 9.18847 -28.006 TIMING: 2985600 CPU: 8913.09, 0.0030673/step Wall: 8913.09, 0.0030673/step, 1.71632 hours remaining, 205.628906 MB of memory in use. ENERGY: 2985600 771.2427 2105.6013 1926.5542 128.1734 -206613.4822 17903.9096 0.0000 0.0000 34341.2420 -149436.7590 299.9106 -183778.0011 -149339.7014 298.3601 -21.7340 9.2969 556266.7119 -2.7984 -2.4517 PRESSURE: 2985800 114.807 93.9702 138.93 93.9704 169.865 -242.614 138.93 -242.613 171.575 GPRESSURE: 2985800 80.12 108.504 48.942 68.6848 230.159 -213.316 165.874 -161.098 248.831 PRESSAVG: 2985800 35.6839 32.2754 1.14504 32.2754 -5.20729 -24.3328 1.14507 -24.3327 -8.56371 GPRESSAVG: 2985800 34.5129 31.3966 -0.243334 33.1518 -3.92732 -23.3822 1.92064 -25.1574 -8.21361 TIMING: 2985800 CPU: 8913.71, 0.00307604/step Wall: 8913.71, 0.00307604/step, 1.72105 hours remaining, 205.628906 MB of memory in use. ENERGY: 2985800 723.2499 2062.2523 1940.7990 106.6836 -206881.5892 18064.5788 0.0000 0.0000 34432.5357 -149551.4898 300.7079 -183984.0255 -149453.0080 298.7247 152.0824 186.3701 554215.2727 7.3043 7.4573 PRESSURE: 2986000 -233.794 -108.727 -17.5376 -108.726 -148.275 -257.998 -17.5378 -257.997 264.344 GPRESSURE: 2986000 -166.261 -78.8268 81.5652 -144.852 -105.524 -188.1 -42.2599 -245.153 245.399 PRESSAVG: 2986000 -16.1417 -3.261 26.5245 -3.26101 22.0118 -0.705095 26.5245 -0.705113 28.3695 GPRESSAVG: 2986000 -15.1531 -1.16607 27.1549 -5.61489 20.554 -0.176477 23.9142 -1.16881 28.4019 TIMING: 2986000 CPU: 8914.32, 0.00305558/step Wall: 8914.32, 0.00305558/step, 1.70943 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: 2986000 758.8820 2105.6892 1954.1972 113.9427 -206045.4646 17559.8310 0.0000 0.0000 34235.0474 -149317.8749 298.9832 -183552.9223 -149223.3813 299.3146 -39.2418 -8.7952 556520.7644 11.4132 11.2676 PRESSURE: 2986200 154.092 -117.971 23.106 -117.97 138.597 -7.68892 23.1055 -7.68911 166.221 GPRESSURE: 2986200 206.918 -102.946 -61.8872 -86.9133 179.621 -40.8397 136.117 -5.83699 182.376 PRESSAVG: 2986200 37.9608 -60.691 34.8448 -60.6909 -42.8352 -33.381 34.8449 -33.381 -35.2039 GPRESSAVG: 2986200 37.8243 -63.3522 34.1635 -57.8931 -42.4172 -32.8662 36.0141 -34.0828 -35.5882 TIMING: 2986200 CPU: 8914.93, 0.00304255/step Wall: 8914.93, 0.00304255/step, 1.70197 hours remaining, 205.628906 MB of memory in use. ENERGY: 2986200 756.9825 2060.9203 1932.5209 112.0826 -206964.2827 18179.8010 0.0000 0.0000 34432.4570 -149489.5184 300.7072 -183921.9754 -149400.4620 299.0392 152.9700 189.6382 556003.2780 -13.3594 -13.3937 PRESSURE: 2986400 50.9525 -12.5402 -38.7488 -12.5406 -97.3784 60.2879 -38.7497 60.2874 78.8345 GPRESSURE: 2986400 61.2436 -13.7721 -40.1909 -36.4983 -28.5861 84.9865 -70.8254 78.4529 103.813 PRESSAVG: 2986400 11.2928 -39.6782 -61.3223 -39.6783 -27.9356 -52.6221 -61.3224 -52.622 6.36456 GPRESSAVG: 2986400 11.0306 -38.3545 -61.9765 -40.2696 -27.5008 -51.8543 -60.375 -52.2867 6.46091 TIMING: 2986400 CPU: 8915.53, 0.00303041/step Wall: 8915.53, 0.00303041/step, 1.69501 hours remaining, 205.628906 MB of memory in use. ENERGY: 2986400 763.0838 2077.2472 1954.3869 122.5375 -206624.4972 17834.3853 0.0000 0.0000 34314.5110 -149558.3457 299.6772 -183872.8567 -149463.0346 298.3878 10.8029 45.4901 555363.0823 -3.4261 -3.3364 PRESSURE: 2986600 165.564 35.896 -25.8747 35.8972 -155.477 4.70083 -25.8747 4.70001 150.386 GPRESSURE: 2986600 163.856 57.7565 39.9731 114.09 -51.1094 22.5132 -96.5312 -27.0436 137.53 PRESSAVG: 2986600 32.6474 52.055 -15.705 52.055 3.91304 8.45101 -15.7051 8.451 -51.3599 GPRESSAVG: 2986600 33.6032 52.3448 -16.1363 50.9746 3.42353 6.53504 -15.4926 11.5377 -51.8099 TIMING: 2986600 CPU: 8916.13, 0.00301594/step Wall: 8916.13, 0.00301594/step, 1.68675 hours remaining, 205.628906 MB of memory in use. ENERGY: 2986600 732.3090 2116.0353 1943.7543 114.2236 -206450.3370 17933.9113 0.0000 0.0000 34104.5529 -149505.5505 297.8435 -183610.1034 -149416.2375 298.4598 53.4911 83.4257 557666.5272 -4.9332 -4.9277 PRESSURE: 2986800 84.7421 -46.7088 74.1988 -46.7082 43.0073 -0.231491 74.1998 -0.231286 174.531 GPRESSURE: 2986800 160.905 -66.4815 148.708 0.434667 58.1665 -24.2137 68.0139 -11.1506 188.275 PRESSAVG: 2986800 -3.68641 43.5107 -20.5765 43.5108 13.4545 -72.7619 -20.5764 -72.7618 26.635 GPRESSAVG: 2986800 -4.71226 44.8672 -19.3612 43.4723 14.0358 -71.8009 -21.0948 -75.66 26.4521 TIMING: 2986800 CPU: 8916.74, 0.00302895/step Wall: 8916.74, 0.00302895/step, 1.69385 hours remaining, 205.628906 MB of memory in use. ENERGY: 2986800 780.2055 2074.0041 1920.6573 121.6744 -206796.5193 18154.7809 0.0000 0.0000 34295.9625 -149449.2346 299.5152 -183745.1971 -149353.4771 299.6562 100.7603 135.7822 556869.8591 12.1344 11.9252 PRESSURE: 2987000 -92.4969 -20.2372 -186.842 -20.2385 -84.6567 -27.9678 -186.843 -27.9665 67.1065 GPRESSURE: 2987000 -84.2574 30.8603 -238.978 15.1956 -16.2776 27.6489 -206.323 21.355 76.8644 PRESSAVG: 2987000 15.9458 -40.3362 16.0057 -40.3362 -8.87502 -4.28527 16.0057 -4.28514 11.1048 GPRESSAVG: 2987000 15.1959 -42.9864 15.1828 -39.5949 -10.5774 -5.16659 13.3121 -2.44138 13.1142 TIMING: 2987000 CPU: 8917.35, 0.00304786/step Wall: 8917.35, 0.00304786/step, 1.70426 hours remaining, 205.628906 MB of memory in use. ENERGY: 2987000 775.5977 2076.3070 1934.5059 117.9067 -206597.7621 17975.6459 0.0000 0.0000 34347.9056 -149369.8932 299.9688 -183717.7988 -149273.5224 298.4686 -36.6824 -7.8902 557489.9783 6.0585 5.9109 PRESSURE: 2987200 -60.7465 -178.932 -48.7045 -178.933 -237.519 133.258 -48.7037 133.258 145.385 GPRESSURE: 2987200 -42.2721 -133.374 -59.1039 -154.034 -203.682 122.256 -84.7667 137.794 190.809 PRESSAVG: 2987200 -7.00417 -41.733 -27.4964 -41.733 -4.52832 -15.0629 -27.4963 -15.063 39.871 GPRESSAVG: 2987200 -6.29583 -38.9573 -26.0414 -42.6499 -4.41422 -13.3855 -26.5475 -15.9275 38.8405 TIMING: 2987200 CPU: 8917.96, 0.00304601/step Wall: 8917.96, 0.00304601/step, 1.70306 hours remaining, 205.628906 MB of memory in use. ENERGY: 2987200 727.8073 2129.0595 1946.5430 111.1219 -206115.0763 17649.2075 0.0000 0.0000 34402.7909 -149148.5463 300.4481 -183551.3372 -149048.8500 298.4806 -50.9602 -18.3817 558271.9696 9.4462 9.3768 PRESSURE: 2987400 -39.8196 18.2748 -167.43 18.2741 0.820029 -79.0595 -167.43 -79.0599 67.3279 GPRESSURE: 2987400 -58.187 15.151 -138.817 -9.96383 75.4267 -73.2924 -160.619 -98.424 107.43 PRESSAVG: 2987400 -44.0086 -11.0695 -20.8336 -11.0695 5.843 -33.4135 -20.8336 -33.4135 26.6232 GPRESSAVG: 2987400 -43.6113 -11.9124 -20.7303 -10.5785 6.2409 -33.859 -21.6109 -33.5104 26.1132 TIMING: 2987400 CPU: 8918.57, 0.00306179/step Wall: 8918.57, 0.00306179/step, 1.71171 hours remaining, 205.628906 MB of memory in use. ENERGY: 2987400 742.0078 2103.7886 1950.1758 106.3918 -206376.6084 17999.9940 0.0000 0.0000 34390.6930 -149083.5574 300.3425 -183474.2504 -148985.4882 299.6055 9.4428 41.5565 559603.1019 -3.8475 -3.7524 PRESSURE: 2987600 -231.934 -181.718 176.736 -181.718 -210.242 -32.9293 176.736 -32.9287 -172.49 GPRESSURE: 2987600 -187.857 -217.653 147.527 -201.793 -150.854 47.2332 151.363 32.0877 -182.976 PRESSAVG: 2987600 21.1697 -62.9824 51.9943 -62.9825 -37.5948 -4.27078 51.9942 -4.2708 -0.761703 GPRESSAVG: 2987600 21.0532 -64.0218 50.5806 -63.2666 -38.2671 -3.93788 53.4318 -3.80399 -0.0183391 TIMING: 2987600 CPU: 8919.18, 0.00306144/step Wall: 8919.18, 0.00306144/step, 1.71134 hours remaining, 205.628906 MB of memory in use. ENERGY: 2987600 790.8506 2140.9849 1945.4199 115.1904 -206019.7155 17687.4009 0.0000 0.0000 34075.1509 -149264.7179 297.5868 -183339.8689 -149167.7745 299.1108 -204.8887 -173.8956 560408.8975 -5.7289 -5.7441 PRESSURE: 2987800 -445.723 69.0131 -8.84508 69.0124 -25.5107 91.4382 -8.84723 91.4377 12.8621 GPRESSURE: 2987800 -375.209 85.3706 -43.1569 103.935 -66.1128 41.8484 -33.9536 79.0345 81.6932 PRESSAVG: 2987800 -45.2265 35.8239 28.9735 35.8239 -16.6404 34.7377 28.9735 34.7377 102.652 GPRESSAVG: 2987800 -44.5116 36.8559 30.7461 34.967 -16.0537 33.8609 28.0462 34.3937 101.033 TIMING: 2987800 CPU: 8919.79, 0.00303781/step Wall: 8919.79, 0.00303781/step, 1.69797 hours remaining, 205.628906 MB of memory in use. ENERGY: 2987800 734.8631 2093.8753 1965.9907 111.7175 -205916.7235 17587.3698 0.0000 0.0000 34165.5654 -149257.3416 298.3764 -183422.9070 -149158.9812 299.2129 -152.7906 -119.8763 557878.3665 13.5950 13.4893 PRESSURE: 2988000 -372.193 50.8691 -46.1768 50.87 49.852 -14.1439 -46.1766 -14.1445 244.103 GPRESSURE: 2988000 -286.104 88.7742 -96.4257 0.053873 69.0731 -49.6242 -18.7714 23.917 231.161 PRESSAVG: 2988000 -48.1392 15.9365 59.671 15.9365 2.92065 -5.39866 59.671 -5.39861 52.4389 GPRESSAVG: 2988000 -47.8819 15.4664 57.7078 18.2523 2.1163 -3.49921 61.2797 -7.32131 52.8041 TIMING: 2988000 CPU: 8920.4, 0.00306724/step Wall: 8920.4, 0.00306724/step, 1.71425 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: 2988000 724.5910 2119.9298 1936.5287 112.7272 -205929.4044 17785.3834 0.0000 0.0000 34204.4829 -149045.7613 298.7163 -183250.2442 -148949.2215 299.1364 -26.0794 4.7101 559468.4344 2.4068 2.3462 PRESSURE: 2988200 -147.098 -68.1905 -80.8174 -68.1905 55.4934 165.028 -80.8157 165.028 -261.62 GPRESSURE: 2988200 -122.56 -96.8763 -86.1307 -113.61 119.338 183.534 -41.9919 202.495 -236.766 PRESSAVG: 2988200 10.878 11.4024 -19.8993 11.4024 39.2599 21.5045 -19.8993 21.5046 -41.712 GPRESSAVG: 2988200 9.26149 12.1662 -21.9265 8.81063 40.5975 18.9938 -18.6246 25.0495 -41.6576 TIMING: 2988200 CPU: 8921.01, 0.00305011/step Wall: 8921.01, 0.00305011/step, 1.7045 hours remaining, 205.628906 MB of memory in use. ENERGY: 2988200 740.2893 2091.0627 1946.6388 119.1452 -206066.2304 17742.4094 0.0000 0.0000 34182.3476 -149244.3375 298.5229 -183426.6851 -149153.5608 299.4724 -117.7415 -79.9961 557858.0793 2.8087 2.7338 LDB: ============= START OF LOAD BALANCING ============== 8924.44 LDB: ============== END OF LOAD BALANCING =============== 8924.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8924.45 LDB: ============= START OF LOAD BALANCING ============== 8924.75 LDB: Largest compute 4820 load 0.031063 is 26.3% of average load 0.118046 LDB: Average compute 0.001749 is 1.5% of average load 0.118046 LDB: TIME 8924.75 LOAD: AVG 0.118046 MAX 0.206744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.422 MB LDB: TIME 8924.75 LOAD: AVG 0.118046 MAX 0.206744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.492 MB LDB: TIME 8924.75 LOAD: AVG 0.118046 MAX 0.206744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.492 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8924.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8924.76 PRESSURE: 2988400 248.241 42.0773 51.728 42.0778 1.66274 49.9102 51.7279 49.9118 194.693 GPRESSURE: 2988400 233.334 37.3763 -20.8313 2.7373 100.52 55.3203 55.2495 -22.7273 215.204 PRESSAVG: 2988400 -42.1179 -20.7137 12.4779 -20.7136 -8.97342 40.7616 12.478 40.7616 33.688 GPRESSAVG: 2988400 -42.4989 -21.4442 14.3676 -18.9355 -7.48064 40.4496 12.1083 39.6137 33.3554 TIMING: 2988400 CPU: 8921.63, 0.00307807/step Wall: 8921.63, 0.00307807/step, 1.71996 hours remaining, 206.257812 MB of memory in use. ENERGY: 2988400 744.0192 2079.4185 1928.3136 124.2331 -206373.4004 18013.5190 0.0000 0.0000 34315.1830 -149168.7141 299.6830 -183483.8971 -149072.6664 299.3957 148.1991 183.0194 557010.1842 -5.8011 -5.5414 PRESSURE: 2988600 211.331 -81.97 15.1081 -81.9704 247.899 -28.4199 15.1078 -28.4191 254.273 GPRESSURE: 2988600 256.794 -103.52 -109.426 -56.6069 271.663 -69.9651 41.016 -2.21659 269.143 PRESSAVG: 2988600 -14.4813 -37.0331 27.6669 -37.033 -4.11105 -77.8465 27.6669 -77.8467 22.184 GPRESSAVG: 2988600 -14.4934 -37.7625 26.8285 -37.8228 -4.70933 -76.621 27.3565 -77.6083 22.7296 TIMING: 2988600 CPU: 8922.24, 0.00304655/step Wall: 8922.24, 0.00304655/step, 1.70218 hours remaining, 206.257812 MB of memory in use. ENERGY: 2988600 732.4571 2134.9787 1949.2544 118.6361 -206532.4395 18248.6544 0.0000 0.0000 34031.4060 -149317.0527 297.2047 -183348.4587 -149228.4921 299.6122 237.8343 265.8664 557096.1640 1.1972 1.1756 PRESSURE: 2988800 -47.443 43.7565 -29.5765 43.7574 165.18 12.2459 -29.5759 12.2445 -35.0768 GPRESSURE: 2988800 7.37818 -15.1436 30.7037 41.5502 210.34 -115.789 -30.0389 41.9081 -43.9578 PRESSAVG: 2988800 -43.4015 3.04284 20.7483 3.04294 2.43008 -19.1682 20.7482 -19.1681 30.0852 GPRESSAVG: 2988800 -42.751 3.36043 21.4199 3.92995 2.27218 -18.5918 19.5964 -21.6634 29.808 TIMING: 2988800 CPU: 8922.85, 0.00304993/step Wall: 8922.85, 0.00304993/step, 1.70389 hours remaining, 206.257812 MB of memory in use. ENERGY: 2988800 748.8347 2031.1645 1940.9504 106.7504 -206307.1785 17995.7334 0.0000 0.0000 34242.6453 -149241.0998 299.0495 -183483.7451 -149144.8010 298.7900 27.5534 57.9203 558156.3193 -3.6288 -3.5570 PRESSURE: 2989000 -183.783 37.3445 177.908 37.3449 44.1829 -94.2433 177.908 -94.244 75.7835 GPRESSURE: 2989000 -129.619 -20.8454 160.85 23.8005 48.8779 -95.0849 211.984 -52.2489 109.177 PRESSAVG: 2989000 9.04898 16.3795 62.3866 16.3795 28.6884 -8.33101 62.3865 -8.33098 4.14404 GPRESSAVG: 2989000 9.14127 17.299 59.9891 16.2836 28.297 -7.59724 63.6073 -7.42425 4.57051 TIMING: 2989000 CPU: 8923.46, 0.00307319/step Wall: 8923.46, 0.00307319/step, 1.71672 hours remaining, 206.257812 MB of memory in use. ENERGY: 2989000 726.2844 2097.7480 1943.8115 108.6563 -205960.1973 17823.8894 0.0000 0.0000 34169.1018 -149090.7059 298.4073 -183259.8077 -148994.2983 299.2685 -21.2720 9.4788 559310.7422 13.9605 14.0029 PRESSURE: 2989200 212.447 224.977 72.7365 224.977 93.965 -13.0431 72.7367 -13.0426 6.82647 GPRESSURE: 2989200 232.239 275.268 -8.23259 212.837 161.192 -116.765 118.405 19.2189 20.5479 PRESSAVG: 2989200 0.139689 29.3966 69.0836 29.3966 -21.7407 -12.8612 69.0836 -12.8614 -6.68433 GPRESSAVG: 2989200 -0.493864 28.5647 70.0603 29.0541 -21.6973 -14.1067 68.1397 -12.559 -5.7264 TIMING: 2989200 CPU: 8924.08, 0.00306807/step Wall: 8924.08, 0.00306807/step, 1.71369 hours remaining, 206.257812 MB of memory in use. ENERGY: 2989200 786.6653 2003.0713 1926.2557 115.7815 -206301.3919 18029.6455 0.0000 0.0000 34112.5730 -149327.3997 297.9136 -183439.9727 -149228.8788 299.0097 104.4129 137.9929 557481.1060 -9.4284 -9.3059 PRESSURE: 2989400 29.226 -47.2617 72.226 -47.2616 -68.0289 40.0396 72.2262 40.04 18.5802 GPRESSURE: 2989400 70.1785 -124.051 91.4825 -53.2805 -33.7717 -66.8083 63.6546 10.7591 65.0644 PRESSAVG: 2989400 -19.8872 -29.4198 31.3741 -29.4198 32.3903 47.628 31.374 47.628 -26.6317 GPRESSAVG: 2989400 -19.3058 -30.9643 32.2478 -27.9841 34.283 46.0525 30.8018 47.6786 -29.0202 TIMING: 2989400 CPU: 8924.69, 0.00305601/step Wall: 8924.69, 0.00305601/step, 1.70678 hours remaining, 206.257812 MB of memory in use. ENERGY: 2989400 752.2679 2066.9589 1926.0884 97.4034 -206269.0989 17800.7135 0.0000 0.0000 34318.9769 -149306.6899 299.7162 -183625.6668 -149207.5379 298.9509 -6.7409 33.8237 557728.4468 -4.7095 -4.6810 PRESSURE: 2989600 15.8866 -91.7851 57.1343 -91.7864 -142.453 99.9007 57.1331 99.8993 22.7312 GPRESSURE: 2989600 8.84388 -105.867 53.8825 -89.035 -16.1013 122.93 -17.8515 115.921 3.79241 PRESSAVG: 2989600 -12.7309 -14.1354 -14.2487 -14.1354 -13.6532 -8.07321 -14.2487 -8.0732 -18.2543 GPRESSAVG: 2989600 -12.666 -11.8245 -12.9465 -14.2488 -15.608 -8.50094 -14.5369 -5.16583 -16.3539 TIMING: 2989600 CPU: 8925.3, 0.00303804/step Wall: 8925.3, 0.00303804/step, 1.69657 hours remaining, 206.257812 MB of memory in use. ENERGY: 2989600 741.8848 2055.2641 1920.3207 120.7307 -205921.8511 17629.5778 0.0000 0.0000 34296.7938 -149157.2791 299.5224 -183454.0730 -149060.8097 298.9670 -34.6117 -1.1550 556009.8593 -14.8795 -14.8760 PRESSURE: 2989800 -354.293 -146.109 56.0481 -146.109 -42.0264 82.5744 56.0472 82.5738 -302.795 GPRESSURE: 2989800 -308.177 -242.319 108.921 -123.76 -19.3793 132.153 12.1117 82.5447 -269.793 PRESSAVG: 2989800 51.6961 1.6611 -3.89905 1.66119 -9.43872 24.6177 -3.89902 24.6175 -48.0922 GPRESSAVG: 2989800 50.7654 1.74804 -4.66929 2.85959 -7.46982 27.2167 -4.86532 22.6758 -48.6892 TIMING: 2989800 CPU: 8925.91, 0.00304239/step Wall: 8925.91, 0.00304239/step, 1.69883 hours remaining, 206.421875 MB of memory in use. ENERGY: 2989800 740.2222 2057.2925 1963.8916 122.9751 -206062.0294 17707.1233 0.0000 0.0000 34250.7788 -149219.7459 299.1206 -183470.5247 -149124.1245 298.7466 -233.0381 -199.1163 558018.8441 -1.9449 -1.7979 PRESSURE: 2990000 63.5636 -100.596 -15.0596 -100.596 -203.739 232.132 -15.0596 232.131 -307.629 GPRESSURE: 2990000 92.3199 -67.0602 -50.2533 -180.303 -183.323 236.132 68.4915 215.941 -263.211 PRESSAVG: 2990000 30.4591 14.3655 -55.6463 14.3655 3.56672 52.5706 -55.6463 52.5707 -34.0083 GPRESSAVG: 2990000 30.6961 13.7502 -56.1329 13.9725 3.16125 49.4281 -54.4867 54.3094 -33.6794 TIMING: 2990000 CPU: 8926.52, 0.00307288/step Wall: 8926.52, 0.00307288/step, 1.71569 hours remaining, 206.421875 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: 2990000 747.2754 2023.1814 1956.8698 107.6522 -205659.4482 17542.7988 0.0000 0.0000 34172.7207 -149108.9499 298.4389 -183281.6706 -149013.0496 299.0241 -149.2679 -118.0714 558629.8645 0.0059 0.0593 PRESSURE: 2990200 -5.89323 -46.1128 82.2377 -46.1122 338.514 67.8193 82.2371 67.818 -86.1165 GPRESSURE: 2990200 46.5451 77.7097 102.873 -105.913 321.879 55.3135 56.7345 42.2397 -34.1738 PRESSAVG: 2990200 31.4036 -23.4033 6.4894 -23.4033 -16.9638 31.6418 6.4895 31.6418 15.3723 GPRESSAVG: 2990200 32.2995 -22.5955 6.37308 -24.2208 -17.6343 34.3872 6.71087 31.8513 15.2762 TIMING: 2990200 CPU: 8927.13, 0.00305192/step Wall: 8927.13, 0.00305192/step, 1.70382 hours remaining, 206.421875 MB of memory in use. ENERGY: 2990200 750.3135 2059.6282 1961.8648 114.7841 -206109.2992 17850.7622 0.0000 0.0000 34217.7199 -149154.2265 298.8319 -183371.9464 -149055.3667 299.5274 82.1679 111.4169 555850.3178 9.9373 9.9805 PRESSURE: 2990400 177.815 -21.213 -50.6153 -21.2128 -21.7681 71.5554 -50.615 71.5539 -143.959 GPRESSURE: 2990400 164.948 -58.7511 24.5172 1.86019 -8.91594 91.1795 -56.2687 -18.3801 -44.8116 PRESSAVG: 2990400 22.7322 48.9451 -37.929 48.9451 -4.13373 18.1579 -37.9291 18.1579 -2.57496 GPRESSAVG: 2990400 21.3376 45.8068 -35.3374 49.1616 -4.23779 18.562 -40.6221 16.8427 -1.37611 TIMING: 2990400 CPU: 8927.75, 0.00308309/step Wall: 8927.75, 0.00308309/step, 1.72105 hours remaining, 206.484375 MB of memory in use. ENERGY: 2990400 763.7307 2152.6750 1944.7605 129.7996 -206034.5411 17630.0326 0.0000 0.0000 34159.3265 -149254.2161 298.3219 -183413.5426 -149158.7942 299.3334 4.0292 37.0736 556024.6315 5.3412 5.2412 PRESSURE: 2990600 -204.017 -46.8937 66.9297 -46.8934 21.1259 167.319 66.9315 167.32 194.786 GPRESSURE: 2990600 -197.691 -55.2599 66.2913 -39.5358 75.6998 222.563 88.7678 188.053 221.528 PRESSAVG: 2990600 -18.7239 -6.2111 -62.8002 -6.21115 35.9473 1.34616 -62.8002 1.34619 -22.7938 GPRESSAVG: 2990600 -17.5801 -5.20012 -64.2575 -5.81682 36.2679 0.446639 -60.7238 1.14604 -23.8887 TIMING: 2990600 CPU: 8928.37, 0.0031064/step Wall: 8928.37, 0.0031064/step, 1.73389 hours remaining, 206.484375 MB of memory in use. ENERGY: 2990600 753.4738 2102.6897 1947.3575 108.0945 -206167.8696 17703.9950 0.0000 0.0000 34232.7979 -149319.4612 298.9635 -183552.2591 -149216.9238 299.2058 3.9650 33.1790 556882.5157 -1.8568 -1.7336 PRESSURE: 2990800 -82.1313 25.5963 -6.9051 25.5968 244.069 -275.239 -6.90561 -275.239 -112.659 GPRESSURE: 2990800 -55.7992 69.6963 -18.4882 7.84519 297.631 -287.843 4.61656 -213.246 -83.1481 PRESSAVG: 2990800 -10.7184 -41.5491 -48.4443 -41.5491 23.2885 -26.4284 -48.4443 -26.4285 -29.0797 GPRESSAVG: 2990800 -10.9598 -41.2127 -46.618 -40.1014 23.5312 -27.0986 -50.6419 -23.7547 -28.6703 TIMING: 2990800 CPU: 8928.98, 0.00306543/step Wall: 8928.98, 0.00306543/step, 1.71085 hours remaining, 206.484375 MB of memory in use. ENERGY: 2990800 725.1808 2075.3268 1955.1299 96.7063 -206366.0864 17888.3570 0.0000 0.0000 34278.2552 -149347.1303 299.3605 -183625.3855 -149250.6584 299.1882 16.4263 52.8946 555590.6108 -5.5032 -5.3663 PRESSURE: 2991000 222.948 -25.8625 -133.883 -25.8628 400.336 -158.279 -133.883 -158.278 137.93 GPRESSURE: 2991000 221.953 -60.0209 -65.9317 -50.8174 434.002 -88.2188 -49.2698 -87.9269 198.92 PRESSAVG: 2991000 38.2448 -39.2568 -47.0695 -39.2569 33.7503 -57.1687 -47.0695 -57.1687 -47.7915 GPRESSAVG: 2991000 38.2824 -40.6612 -48.1449 -40.9614 33.9933 -55.36 -44.9217 -58.0937 -48.169 TIMING: 2991000 CPU: 8929.59, 0.00302872/step Wall: 8929.59, 0.00302872/step, 1.69019 hours remaining, 206.484375 MB of memory in use. ENERGY: 2991000 731.8280 2092.8998 1971.8768 102.2041 -206616.9956 18190.8055 0.0000 0.0000 34277.4659 -149249.9154 299.3536 -183527.3813 -149154.7500 299.8496 253.7381 284.9585 558714.1609 8.0678 8.0356 PRESSURE: 2991200 -199.716 -111.34 4.44428 -111.341 -107.11 -67.7255 4.44378 -67.7238 -182.764 GPRESSURE: 2991200 -189.01 -167.311 -31.1614 -24.7192 -3.29503 -108.843 38.6809 -54.0665 -188.247 PRESSAVG: 2991200 45.6069 11.0356 -81.8005 11.0355 58.9003 -6.29202 -81.8004 -6.29199 -96.6202 GPRESSAVG: 2991200 45.3078 12.3802 -80.7897 9.9233 59.8195 -6.09431 -82.0379 -7.92121 -97.5911 TIMING: 2991200 CPU: 8930.19, 0.00303527/step Wall: 8930.19, 0.00303527/step, 1.69368 hours remaining, 206.484375 MB of memory in use. ENERGY: 2991200 754.3380 2067.6671 1932.1733 108.1185 -205714.6546 17418.8080 0.0000 0.0000 34239.9889 -149193.5608 299.0263 -183433.5497 -149099.3403 299.1672 -163.1966 -126.8505 556948.3109 2.6290 2.5121 PRESSURE: 2991400 9.48829 -100.576 -20.7012 -100.577 55.6842 118.497 -20.703 118.496 -14.3113 GPRESSURE: 2991400 37.9032 -95.8415 63.0454 -55.7614 134.25 222.641 -63.3254 12.7299 -16.5237 PRESSAVG: 2991400 37.5338 26.9896 25.6538 26.9895 43.4815 -47.028 25.6538 -47.028 -101.616 GPRESSAVG: 2991400 37.3533 26.1282 24.6079 28.2883 42.8425 -46.763 27.2351 -47.6063 -101.178 TIMING: 2991400 CPU: 8930.8, 0.00303522/step Wall: 8930.8, 0.00303522/step, 1.69349 hours remaining, 206.484375 MB of memory in use. ENERGY: 2991400 757.9665 2035.0900 1924.8571 110.1243 -206280.6841 18083.5238 0.0000 0.0000 34158.1417 -149210.9807 298.3115 -183369.1224 -149108.0558 298.8066 16.9537 51.8766 558115.8471 -6.8669 -6.9940 PRESSURE: 2991600 -226.765 -16.476 -109.738 -16.4768 23.1683 14.4831 -109.738 14.4825 -94.1823 GPRESSURE: 2991600 -210.033 -92.4633 -220.084 59.8487 128.752 14.5939 -98.6952 44.2851 -120.808 PRESSAVG: 2991600 16.6672 49.8341 -4.45901 49.8341 -53.7239 -22.9388 -4.459 -22.9388 74.1685 GPRESSAVG: 2991600 16.2139 51.2257 -4.83578 49.9608 -52.1809 -23.7049 -6.51546 -23.31 73.2513 TIMING: 2991600 CPU: 8931.41, 0.00304745/step Wall: 8931.41, 0.00304745/step, 1.70014 hours remaining, 206.484375 MB of memory in use. ENERGY: 2991600 763.2773 2061.4469 1943.5172 108.1717 -206115.4221 17712.5303 0.0000 0.0000 34364.5575 -149161.9212 300.1142 -183526.4787 -149061.2953 298.9856 -99.2598 -67.3629 558075.1339 12.3706 12.4281 PRESSURE: 2991800 -99.1856 198.332 40.0878 198.332 -187.594 14.0989 40.0865 14.0995 411.658 GPRESSURE: 2991800 -0.392255 143.276 36.9558 134.648 -164.156 26.6557 9.73505 48.7528 395.794 PRESSAVG: 2991800 14.0354 32.1299 -16.67 32.1299 -37.3317 3.57501 -16.67 3.57496 -1.88108 GPRESSAVG: 2991800 15.3938 32.9931 -16.4104 30.2999 -39.3054 3.57043 -16.656 4.91827 -1.60831 TIMING: 2991800 CPU: 8932.02, 0.00303586/step Wall: 8932.02, 0.00303586/step, 1.6935 hours remaining, 206.484375 MB of memory in use. ENERGY: 2991800 776.6873 2092.5837 1927.0934 105.7595 -206539.6971 18068.2654 0.0000 0.0000 34295.2736 -149274.0342 299.5092 -183569.3078 -149178.7397 299.4575 41.6264 77.0820 557807.8650 -8.3925 -8.5066 PRESSURE: 2992000 -96.49 81.5215 68.1018 81.5222 86.9542 -64.0148 68.101 -64.0148 -117.17 GPRESSURE: 2992000 -33.9458 55.5879 49.6412 143.736 120.702 -38.5166 60.5775 16.582 -113.573 PRESSAVG: 2992000 52.8654 24.4167 54.4279 24.4167 -25.2869 26.9624 54.428 26.9624 -48.8718 GPRESSAVG: 2992000 50.4687 23.0799 52.9399 25.4605 -23.6248 27.2421 56.8283 26.719 -48.0455 TIMING: 2992000 CPU: 8932.62, 0.00303163/step Wall: 8932.62, 0.00303163/step, 1.69098 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: 2992000 741.0741 2112.3496 1940.6873 123.0249 -205990.4597 17903.7882 0.0000 0.0000 34061.5467 -149107.9888 297.4680 -183169.5356 -149014.2213 299.2132 -42.2352 -8.9390 560927.4063 -7.0978 -7.0672 PRESSURE: 2992200 -140.521 17.941 213.493 17.9409 -326.438 153.652 213.491 153.653 63.187 GPRESSURE: 2992200 -105.322 -3.71934 152.022 -62.3359 -333.666 87.0894 230.234 166.359 134.506 PRESSAVG: 2992200 47.4762 45.9268 23.6882 45.9269 -28.7366 15.3973 23.6882 15.3974 8.89857 GPRESSAVG: 2992200 49.1102 48.0227 22.8957 44.6271 -29.1919 13.7325 23.4132 16.1841 8.05478 TIMING: 2992200 CPU: 8933.23, 0.00304516/step Wall: 8933.23, 0.00304516/step, 1.69835 hours remaining, 206.484375 MB of memory in use. ENERGY: 2992200 796.1155 2123.1440 1963.2378 103.2974 -205982.1012 17642.5664 0.0000 0.0000 34264.3158 -149089.4243 299.2388 -183353.7401 -148989.6276 299.3271 -134.5905 -101.4938 559761.2770 9.2127 9.3243 LDB: ============= START OF LOAD BALANCING ============== 8936.67 LDB: ============== END OF LOAD BALANCING =============== 8936.67 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8936.67 LDB: ============= START OF LOAD BALANCING ============== 8936.98 LDB: Largest compute 4821 load 0.031054 is 26.3% of average load 0.118005 LDB: Average compute 0.001750 is 1.5% of average load 0.118005 LDB: TIME 8936.98 LOAD: AVG 0.118005 MAX 0.206489 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.238 MB LDB: TIME 8936.98 LOAD: AVG 0.118005 MAX 0.206489 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.238 MB LDB: TIME 8936.98 LOAD: AVG 0.118005 MAX 0.206489 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8936.98 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8936.99 PRESSURE: 2992400 -275.466 253.502 95.2285 253.503 -189.77 -89.357 95.2289 -89.3577 -156.031 GPRESSURE: 2992400 -226.676 257.197 -2.13369 204.585 -150.037 -42.3355 86.9003 -11.8917 -137.252 PRESSAVG: 2992400 -23.7414 18.3322 19.3183 18.3322 -73.8899 -45.0111 19.3183 -45.0111 91.405 GPRESSAVG: 2992400 -22.8075 16.8231 23.0415 18.8853 -75.2485 -45.0968 16.6334 -42.4285 92.2316 TIMING: 2992400 CPU: 8933.86, 0.00312328/step Wall: 8933.86, 0.00312328/step, 1.74175 hours remaining, 206.703125 MB of memory in use. ENERGY: 2992400 743.1781 2037.7117 1947.4599 127.0895 -205888.3378 17454.3359 0.0000 0.0000 34260.9120 -149317.6507 299.2091 -183578.5626 -149215.0223 299.0830 -207.0891 -171.3218 557660.6506 -2.0754 -1.9415 PRESSURE: 2992600 -105.564 58.4966 -85.5515 58.4947 -56.5949 -43.6173 -85.5524 -43.6186 10.7346 GPRESSURE: 2992600 -79.6792 26.4957 -85.5476 161.542 -37.8735 20.0077 -13.7981 -136.009 46.6191 PRESSAVG: 2992600 1.22476 1.36216 41.8638 1.36215 -21.2791 -9.73664 41.8637 -9.73661 37.2542 GPRESSAVG: 2992600 -0.112571 0.952075 38.9026 2.60378 -20.0659 -8.17564 44.5247 -12.4826 38.0421 TIMING: 2992600 CPU: 8934.47, 0.00306589/step Wall: 8934.47, 0.00306589/step, 1.70957 hours remaining, 206.960938 MB of memory in use. ENERGY: 2992600 768.0504 2047.2867 1963.2075 107.7134 -206398.9892 18002.9429 0.0000 0.0000 34219.7360 -149290.0523 298.8495 -183509.7883 -149196.6225 298.8542 -50.4748 -23.6445 556316.2330 5.7333 5.9545 PRESSURE: 2992800 177.913 -56.7711 -40.0462 -56.7707 132.407 -54.8805 -40.0465 -54.8804 90.4016 GPRESSURE: 2992800 178.76 -37.1545 -1.11128 -45.2367 178.433 -6.31629 -39.9748 -60.1514 140.607 PRESSAVG: 2992800 18.6068 -30.1723 51.3482 -30.1722 -68.6787 -10.7943 51.3482 -10.7944 56.7749 GPRESSAVG: 2992800 18.4627 -29.4832 51.1459 -30.8183 -67.8291 -12.7565 50.7921 -9.89157 56.4119 TIMING: 2992800 CPU: 8935.08, 0.00306795/step Wall: 8935.08, 0.00306795/step, 1.71055 hours remaining, 206.960938 MB of memory in use. ENERGY: 2992800 758.4401 2069.9950 1942.9727 103.0545 -206451.1903 18092.8092 0.0000 0.0000 34242.9102 -149241.0086 299.0519 -183483.9187 -149138.9064 298.4612 133.5739 165.9331 555867.6654 2.2343 2.3485 PRESSURE: 2993000 296.269 120.743 -117.25 120.743 -62.8074 -185.256 -117.25 -185.255 84.6174 GPRESSURE: 2993000 292.261 51.4915 -64.8788 160.133 -3.58028 -164.646 -51.8346 -146.019 116.399 PRESSAVG: 2993000 3.86441 -22.7009 34.2147 -22.7009 -16.8437 37.1045 34.2147 37.1044 53.6163 GPRESSAVG: 2993000 3.86916 -22.7 36.229 -21.623 -17.0507 39.0115 33.7919 36.2021 54.0954 TIMING: 2993000 CPU: 8935.69, 0.0030477/step Wall: 8935.69, 0.0030477/step, 1.69909 hours remaining, 207.046875 MB of memory in use. ENERGY: 2993000 770.8406 2095.8076 1946.3070 106.7994 -206687.0118 18115.1081 0.0000 0.0000 34482.2403 -149169.9088 301.1420 -183652.1491 -149073.1413 298.9683 106.0263 135.0267 555415.7539 13.5457 13.6379 PRESSURE: 2993200 -330.891 -51.2697 53.6812 -51.2691 133.957 -149.39 53.6808 -149.388 10.8453 GPRESSURE: 2993200 -283.445 -39.9694 102.588 -10.5407 186.463 -175.006 60.7221 -86.6284 18.2934 PRESSAVG: 2993200 18.4171 -28.9473 -24.5994 -28.9474 2.82926 8.55071 -24.5994 8.55072 17.754 GPRESSAVG: 2993200 18.8576 -29.4475 -24.6804 -30.1746 3.26537 9.27723 -26.1759 7.303 17.1346 TIMING: 2993200 CPU: 8936.29, 0.00299636/step Wall: 8936.29, 0.00299636/step, 1.67031 hours remaining, 207.046875 MB of memory in use. ENERGY: 2993200 710.2100 2110.2183 1959.0741 120.0147 -206310.5621 17728.4706 0.0000 0.0000 34519.3047 -149163.2697 301.4657 -183682.5745 -149071.6665 299.7310 -62.0295 -26.2294 556697.9700 13.0001 13.0858 PRESSURE: 2993400 241.688 -37.5338 40.6885 -37.5332 275.747 74.23 40.6872 74.2281 113.113 GPRESSURE: 2993400 264.553 -71.1073 -74.6082 65.3108 276.584 63.972 17.8894 19.0674 169.683 PRESSAVG: 2993400 -47.3602 4.32291 38.1504 4.32288 14.5571 25.8887 38.1504 25.8888 38.5785 GPRESSAVG: 2993400 -46.6472 3.71183 37.5635 3.89998 14.1277 22.9913 39.2228 28.4033 38.4315 TIMING: 2993400 CPU: 8936.9, 0.003016/step Wall: 8936.9, 0.00301599/step, 1.68108 hours remaining, 207.046875 MB of memory in use. ENERGY: 2993400 760.8849 2118.5274 1940.3980 121.2143 -206746.8684 18237.9175 0.0000 0.0000 34274.6799 -149293.2464 299.3293 -183567.9263 -149199.9050 299.4830 210.1829 236.9399 556296.7324 1.9251 1.9707 PRESSURE: 2993600 -67.7011 -21.6098 -127.988 -21.6092 -72.6761 8.52657 -127.987 8.52713 37.5763 GPRESSURE: 2993600 4.40451 -56.4596 -147.038 29.1386 -64.2337 28.3742 -105.41 -9.06795 65.7409 PRESSAVG: 2993600 -25.4587 4.23453 54.3978 4.23454 44.3547 -3.72788 54.3977 -3.72791 -41.9269 GPRESSAVG: 2993600 -26.8527 2.21147 53.0001 7.04615 44.1072 -1.30123 54.8677 -6.28918 -40.4921 TIMING: 2993600 CPU: 8937.5, 0.0030294/step Wall: 8937.5, 0.0030294/step, 1.68839 hours remaining, 207.046875 MB of memory in use. ENERGY: 2993600 726.4331 2117.2537 1968.2385 114.7969 -206143.5834 17653.6331 0.0000 0.0000 34137.8010 -149425.4271 298.1339 -183563.2281 -149320.0342 299.4526 -34.2670 1.9706 555971.1055 -7.6770 -7.7459 PRESSURE: 2993800 19.3047 66.6434 -15.357 66.644 -175.395 144.764 -15.3567 144.765 146.78 GPRESSURE: 2993800 67.3156 -84.0806 -34.6282 102.198 -75.1688 114.01 -68.6 118.805 104.377 PRESSAVG: 2993800 -22.9765 48.913 14.3392 48.913 29.4042 41.5482 14.3393 41.5482 9.64984 GPRESSAVG: 2993800 -22.0176 49.9876 14.6424 47.013 28.0895 39.1714 15.2937 43.47 9.41331 TIMING: 2993800 CPU: 8938.11, 0.0030128/step Wall: 8938.11, 0.0030128/step, 1.67897 hours remaining, 207.046875 MB of memory in use. ENERGY: 2993800 778.8089 2138.5676 1957.3507 122.3073 -206471.5887 17773.7346 0.0000 0.0000 34229.0741 -149471.7455 298.9310 -183700.8197 -149370.5191 299.3539 -3.1035 32.1745 554520.1087 5.3592 5.1617 PRESSURE: 2994000 -204.899 -59.2125 -106.5 -59.2134 34.8286 -4.31802 -106.5 -4.31839 -85.2864 GPRESSURE: 2994000 -169.691 -131.604 -52.2016 -6.15309 88.4403 50.1108 -73.8863 -64.2105 -72.4333 PRESSAVG: 2994000 -17.9558 0.891801 41.6736 0.891717 12.5816 -28.6326 41.6735 -28.6326 34.0761 GPRESSAVG: 2994000 -17.8203 2.09804 41.4512 -0.346316 13.079 -27.5572 44.112 -29.0425 33.4719 TIMING: 2994000 CPU: 8938.71, 0.00301458/step Wall: 8938.71, 0.00301458/step, 1.67979 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: 2994000 759.7169 2092.4309 1949.7534 113.9762 -205844.5645 17497.8449 0.0000 0.0000 34136.4194 -149294.4228 298.1218 -183430.8422 -149202.0564 299.5184 -85.1189 -51.2282 555288.2018 9.5673 9.5769 PRESSURE: 2994200 -288.235 -95.4533 36.4046 -95.454 -94.9959 -17.653 36.4047 -17.654 -149.228 GPRESSURE: 2994200 -284.725 -114.087 12.1719 -73.2936 -58.9076 -84.6087 10.6613 -18.469 -98.1164 PRESSAVG: 2994200 -8.95775 -42.8435 63.8647 -42.8434 -5.31307 -33.9879 63.8647 -33.9879 23.8328 GPRESSAVG: 2994200 -9.02096 -43.3052 65.0818 -42.7872 -6.63271 -33.2644 60.7313 -35.8104 24.2386 TIMING: 2994200 CPU: 8939.32, 0.00305266/step Wall: 8939.32, 0.00305266/step, 1.70084 hours remaining, 207.046875 MB of memory in use. ENERGY: 2994200 783.5839 2135.9745 1947.3940 98.3260 -205967.5489 17568.5557 0.0000 0.0000 34240.6853 -149193.0294 299.0324 -183433.7147 -149101.0059 300.2939 -177.4863 -147.2495 557613.3351 3.1873 2.8617 PRESSURE: 2994400 -55.054 -382.453 -0.88103 -382.451 23.5478 82.7708 -0.880001 82.7695 96.9564 GPRESSURE: 2994400 54.8396 -301.359 30.1509 -318.537 -19.6238 151.427 34.5149 11.8995 125.581 PRESSAVG: 2994400 -50.665 -6.67123 73.3869 -6.67117 48.3885 -20.1492 73.3869 -20.1492 43.0278 GPRESSAVG: 2994400 -51.823 -7.01057 72.658 -7.88598 50.036 -21.1805 74.0175 -18.5512 42.8332 TIMING: 2994400 CPU: 8939.93, 0.0030446/step Wall: 8939.93, 0.0030446/step, 1.69618 hours remaining, 207.046875 MB of memory in use. ENERGY: 2994400 743.0673 2146.1754 1949.5965 117.2439 -206353.7882 17858.4745 0.0000 0.0000 34388.4053 -149150.8252 300.3225 -183539.2305 -149048.3950 300.1481 21.8168 53.5990 557767.5191 13.5838 13.6821 PRESSURE: 2994600 83.0157 13.7199 64.4712 13.7193 -215.893 -215.893 64.4717 -215.892 -304.036 GPRESSURE: 2994600 115.319 24.9187 155.308 -72.5439 -176.798 -236.531 33.2388 -259.708 -267.408 PRESSAVG: 2994600 -4.74573 -43.5068 85.4425 -43.5069 13.4248 -24.3349 85.4424 -24.3349 26.7651 GPRESSAVG: 2994600 -3.72967 -44.4364 85.4328 -44.1913 12.5861 -23.5345 85.2904 -24.0822 27.4367 TIMING: 2994600 CPU: 8940.53, 0.0030195/step Wall: 8940.53, 0.0030195/step, 1.68203 hours remaining, 207.046875 MB of memory in use. ENERGY: 2994600 741.0383 2109.8381 1935.4507 113.3718 -205942.5366 17629.7018 0.0000 0.0000 34121.2960 -149291.8399 297.9898 -183413.1359 -149195.6055 299.4641 -145.6375 -109.6290 557753.3002 11.8147 12.0977 PRESSURE: 2994800 149.427 -37.9686 19.6162 -37.9679 168.131 -161.327 19.6159 -161.327 50.6582 GPRESSURE: 2994800 166.573 -25.1659 -24.0584 -74.9115 218.564 -142.742 72.7855 -132.331 76.3556 PRESSAVG: 2994800 61.8773 -18.4471 32.4372 -18.4471 -11.309 79.4015 32.4371 79.4016 -12.3174 GPRESSAVG: 2994800 62.2381 -18.6356 32.5852 -14.6244 -12.1132 79.453 31.379 77.5235 -11.8297 TIMING: 2994800 CPU: 8941.14, 0.00302776/step Wall: 8941.14, 0.00302776/step, 1.68646 hours remaining, 207.046875 MB of memory in use. ENERGY: 2994800 725.6150 2136.4586 1954.3788 112.0658 -206366.9373 17991.5847 0.0000 0.0000 34105.6862 -149341.1484 297.8534 -183446.8346 -149250.3838 299.2108 122.7386 153.8309 557096.4240 12.7503 12.7651 PRESSURE: 2995000 -73.4014 223.092 52.9523 223.092 79.541 62.8022 52.9515 62.8016 161.355 GPRESSURE: 2995000 -88.2511 179.665 9.92802 230.307 157.487 25.9685 10.0819 51.3133 201.184 PRESSAVG: 2995000 -21.2222 -23.9457 53.3672 -23.9457 40.8638 -11.0423 53.3672 -11.0423 -7.8326 GPRESSAVG: 2995000 -21.8216 -21.7531 52.1274 -25.8806 41.8703 -11.3804 54.7596 -9.08588 -8.12878 TIMING: 2995000 CPU: 8941.74, 0.0030231/step Wall: 8941.74, 0.0030231/step, 1.6837 hours remaining, 207.046875 MB of memory in use. ENERGY: 2995000 751.3006 2139.2290 1936.1523 112.4854 -206337.2879 17866.2148 0.0000 0.0000 34141.2651 -149390.6407 298.1642 -183531.9058 -149298.3393 298.9945 55.8315 90.1400 556498.3605 3.9363 3.9733 PRESSURE: 2995200 -47.3912 -34.3023 -57.2422 -34.3014 -58.5844 -210.785 -57.2434 -210.785 -37.3697 GPRESSURE: 2995200 -17.1025 21.7129 -27.8319 -41.1131 -50.0878 -219.491 -42.1176 -246.388 6.80824 PRESSAVG: 2995200 21.3217 -24.99 5.78567 -24.9901 11.8406 -30.8405 5.78569 -30.8406 -64.7824 GPRESSAVG: 2995200 22.1085 -26.4293 9.81754 -23.6709 10.9191 -30.311 4.09842 -31.4142 -64.7076 TIMING: 2995200 CPU: 8942.35, 0.00305621/step Wall: 8942.35, 0.00305621/step, 1.70197 hours remaining, 207.046875 MB of memory in use. ENERGY: 2995200 778.1262 2152.9698 1930.7733 113.1375 -206430.9546 17766.6326 0.0000 0.0000 34228.6002 -149460.7150 298.9269 -183689.3151 -149364.2513 299.0787 -47.7818 -20.1274 557440.2747 -10.5401 -10.5600 PRESSURE: 2995400 -355.201 -152.053 113.496 -152.053 -125.69 -37.4881 113.494 -37.4891 51.2727 GPRESSURE: 2995400 -301.65 -140.325 68.3808 -130.042 -67.3109 -68.0845 86.8984 29.898 29.5965 PRESSAVG: 2995400 17.7184 3.19268 11.5328 3.19262 -21.5668 27.9945 11.5328 27.9945 -26.3621 GPRESSAVG: 2995400 16.7646 4.24299 10.3181 4.94031 -20.5369 30.5144 11.5698 28.1365 -26.163 TIMING: 2995400 CPU: 8942.96, 0.00303913/step Wall: 8942.96, 0.00303913/step, 1.69229 hours remaining, 207.046875 MB of memory in use. ENERGY: 2995400 729.6327 2109.8334 1944.6003 112.9267 -205939.1863 17548.5517 0.0000 0.0000 34063.6347 -149430.0068 297.4862 -183493.6416 -149324.8351 298.6349 -143.2063 -113.1214 558819.6003 -10.0702 -9.9785 PRESSURE: 2995600 208.227 -65.2344 -31.196 -65.2339 15.9455 47.6431 -31.1968 47.6436 57.2057 GPRESSURE: 2995600 228.198 -159.849 -11.0255 -21.0448 51.7493 -33.602 -62.3973 70.9034 98.2371 PRESSAVG: 2995600 -0.58228 -9.94645 -32.8191 -9.94656 -47.2883 4.13871 -32.8191 4.13876 52.8769 GPRESSAVG: 2995600 0.619001 -11.7813 -33.1677 -9.43862 -47.3105 3.05314 -34.5431 6.14811 51.7935 TIMING: 2995600 CPU: 8943.57, 0.00306515/step Wall: 8943.57, 0.00306515/step, 1.70661 hours remaining, 207.046875 MB of memory in use. ENERGY: 2995600 739.2915 2136.7940 1942.2513 126.0362 -206090.6118 17849.2447 0.0000 0.0000 34047.6683 -149249.3258 297.3468 -183296.9941 -149151.2253 298.6330 93.7927 126.0615 557140.2979 1.6688 1.7006 PRESSURE: 2995800 -8.94482 50.3816 -42.9458 50.3818 45.6384 -112.66 -42.9447 -112.661 -170.975 GPRESSURE: 2995800 -0.278901 51.6206 -69.8838 41.089 37.4724 -65.3719 -95.4297 -31.8392 -83.225 PRESSAVG: 2995800 -1.10424 -66.8146 -55.0809 -66.8145 0.446058 7.1582 -55.0808 7.15822 -48.4045 GPRESSAVG: 2995800 -2.20499 -67.3864 -54.447 -68.0649 0.0497417 6.30468 -52.8412 6.3776 -47.2437 TIMING: 2995800 CPU: 8944.19, 0.00306523/step Wall: 8944.19, 0.00306523/step, 1.70648 hours remaining, 207.046875 MB of memory in use. ENERGY: 2995800 737.8604 2123.2800 1957.5407 109.7827 -206367.9221 17875.6081 0.0000 0.0000 34283.3685 -149280.4815 299.4052 -183563.8500 -149176.1552 299.5470 -44.7605 -15.3438 558863.4304 -16.3542 -16.4663 PRESSURE: 2996000 -155.964 -56.2978 -76.2687 -56.2979 46.1141 28.1662 -76.2698 28.1647 -164.457 GPRESSURE: 2996000 -106.418 -61.1855 -50.9794 -112.81 66.4177 -12.6364 -85.8224 40.1832 -139.763 PRESSAVG: 2996000 -11.796 -52.6015 -6.84157 -52.6014 4.30509 -24.8678 -6.84154 -24.8679 -13.3291 GPRESSAVG: 2996000 -11.1944 -51.1659 -6.50525 -53.3907 4.32083 -23.7148 -6.56863 -24.5962 -13.7554 TIMING: 2996000 CPU: 8944.8, 0.00304525/step Wall: 8944.8, 0.00304525/step, 1.69519 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: 2996000 775.1984 2103.2567 1939.3546 97.0410 -206181.2129 17861.3825 0.0000 0.0000 34169.3972 -149235.5825 298.4098 -183404.9796 -149135.7106 299.5042 -91.4358 -59.9210 557367.4816 -6.9400 -6.8763 PRESSURE: 2996200 -267.271 -18.2654 172.891 -18.265 -146.552 -81.7633 172.891 -81.7634 67.4641 GPRESSURE: 2996200 -208.921 29.1884 195.278 -41.7335 -84.8323 -185.36 99.6145 3.83546 36.0681 PRESSAVG: 2996200 -6.31032 -47.0532 5.99428 -47.0531 66.9788 -23.5514 5.99422 -23.5514 -51.2492 GPRESSAVG: 2996200 -7.51182 -47.3567 3.94803 -46.3145 67.1776 -24.4434 5.74789 -25.6704 -50.9815 TIMING: 2996200 CPU: 8945.4, 0.00304555/step Wall: 8945.4, 0.00304555/step, 1.69519 hours remaining, 207.046875 MB of memory in use. ENERGY: 2996200 770.8787 2104.6421 1952.4567 107.3726 -206063.7811 17633.5190 0.0000 0.0000 34193.9537 -149300.9583 298.6243 -183494.9120 -149205.1675 299.0708 -115.4530 -85.8950 556666.4210 3.1398 2.8948 LDB: ============= START OF LOAD BALANCING ============== 8948.84 LDB: ============== END OF LOAD BALANCING =============== 8948.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8948.84 LDB: ============= START OF LOAD BALANCING ============== 8949.15 LDB: Largest compute 4820 load 0.031569 is 26.8% of average load 0.117997 LDB: Average compute 0.001750 is 1.5% of average load 0.117997 LDB: TIME 8949.15 LOAD: AVG 0.117997 MAX 0.208401 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 8949.15 LOAD: AVG 0.117997 MAX 0.208401 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: TIME 8949.15 LOAD: AVG 0.117997 MAX 0.208401 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.77 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8949.15 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8949.16 PRESSURE: 2996400 -157.105 -60.9013 106.858 -60.9018 -135.269 -95.49 106.858 -95.4899 212.034 GPRESSURE: 2996400 -86.4237 -75.6345 179.422 39.9443 -101.523 -44.6337 93.5092 -162.333 212.196 PRESSAVG: 2996400 -66.0146 -52.2031 27.599 -52.2031 74.2988 2.0272 27.5991 2.02725 16.158 GPRESSAVG: 2996400 -65.2989 -51.3421 27.2227 -52.8829 74.1526 3.27087 27.4136 3.08676 15.8292 TIMING: 2996400 CPU: 8946.03, 0.00310484/step Wall: 8946.03, 0.00310484/step, 1.72802 hours remaining, 206.199219 MB of memory in use. ENERGY: 2996400 715.2459 2113.6834 1929.7057 109.0944 -206327.7499 17693.8910 0.0000 0.0000 34391.1146 -149375.0149 300.3462 -183766.1296 -149273.6446 299.6943 -26.7801 8.0831 557372.0560 8.1474 8.2276 PRESSURE: 2996600 20.6535 -84.4234 261.885 -84.4234 -197.892 -165.565 261.886 -165.566 -42.3522 GPRESSURE: 2996600 76.592 -123.791 239.625 -59.8776 -182.752 -79.7686 261.666 -103.385 -19.5307 PRESSAVG: 2996600 -36.1937 1.99968 54.7305 1.99968 -35.6117 -1.07333 54.7305 -1.07327 17.8888 GPRESSAVG: 2996600 -35.9893 2.80951 56.1186 1.68775 -34.2084 -3.39448 54.5842 0.954748 16.4013 TIMING: 2996600 CPU: 8946.63, 0.00302404/step Wall: 8946.63, 0.00302404/step, 1.68288 hours remaining, 206.269531 MB of memory in use. ENERGY: 2996600 727.7371 2080.4493 1963.1066 113.1197 -206178.2324 17599.4611 0.0000 0.0000 34282.3038 -149412.0548 299.3959 -183694.3586 -149315.7018 298.6286 -73.1970 -41.8968 556514.3499 -17.9722 -17.9321 PRESSURE: 2996800 48.2796 -94.385 -16.7315 -94.386 7.75474 9.9028 -16.733 9.90167 -172.373 GPRESSURE: 2996800 63.1639 -72.9166 51.2917 -98.4744 7.93313 -74.2547 -31.0633 120.742 -99.6604 PRESSAVG: 2996800 -3.02236 -20.1682 -18.9938 -20.1682 24.6854 18.0222 -18.9938 18.0219 10.9604 GPRESSAVG: 2996800 -2.7409 -21.1864 -19.5624 -19.156 23.2561 17.8966 -19.4472 16.7964 12.2128 TIMING: 2996800 CPU: 8947.24, 0.00303899/step Wall: 8947.24, 0.00303899/step, 1.69103 hours remaining, 206.269531 MB of memory in use. ENERGY: 2996800 752.1973 2090.2388 1950.0861 106.6178 -206176.5845 17826.6488 0.0000 0.0000 34117.9993 -149332.7964 297.9610 -183450.7957 -149232.9044 299.0743 -38.7797 -9.5211 557362.1769 10.8745 10.9094 PRESSURE: 2997000 -158.665 119.702 3.81789 119.703 -255.956 -13.3633 3.81796 -13.3628 -206.008 GPRESSURE: 2997000 -157.252 124.361 11.5567 62.3156 -185.446 89.8864 -21.2177 -23.4894 -171.031 PRESSAVG: 2997000 -26.1745 14.3332 64.0127 14.3334 45.3608 55.7771 64.0127 55.777 -33.2338 GPRESSAVG: 2997000 -26.0502 13.9886 65.3374 14.5497 45.3878 57.1039 64.3649 55.1387 -33.5561 TIMING: 2997000 CPU: 8947.85, 0.00303475/step Wall: 8947.85, 0.00303475/step, 1.6885 hours remaining, 206.269531 MB of memory in use. ENERGY: 2997000 768.5461 2106.4288 1974.3391 113.4420 -205925.0704 17670.9492 0.0000 0.0000 34062.5019 -149228.8632 297.4763 -183291.3652 -149126.3966 298.9790 -206.8762 -171.2431 557378.1104 -4.6825 -4.7395 PRESSURE: 2997200 207.79 -150.906 3.39669 -150.907 6.73438 -50.7011 3.396 -50.7005 31.933 GPRESSURE: 2997200 224.746 -106.894 97.6984 -192.22 71.4838 12.6405 -108.306 -63.6186 38.0709 PRESSAVG: 2997200 -29.6041 14.1175 32.7324 14.1175 35.6608 -3.14774 32.7323 -3.14769 -18.866 GPRESSAVG: 2997200 -29.7619 14.3863 33.0942 12.4813 35.4428 -2.89088 33.7759 -4.39555 -18.8767 TIMING: 2997200 CPU: 8948.46, 0.00306097/step Wall: 8948.46, 0.00306097/step, 1.70292 hours remaining, 206.269531 MB of memory in use. ENERGY: 2997200 760.4449 2131.4028 1961.3222 115.1923 -206367.6877 17838.9329 0.0000 0.0000 34452.3414 -149108.0511 300.8809 -183560.3926 -149013.1142 299.7602 82.1523 111.4336 555904.1549 -4.2698 -4.3986 PRESSURE: 2997400 203.43 -163.914 22.5002 -163.914 264.86 -168.525 22.5003 -168.525 -129.328 GPRESSURE: 2997400 262.671 -113.156 18.3297 -144.223 301.216 -194.017 17.4017 -206.467 -118.676 PRESSAVG: 2997400 -6.4339 -52.7161 4.27762 -52.7162 82.1956 -69.2024 4.27756 -69.2023 -39.2807 GPRESSAVG: 2997400 -6.80207 -50.6065 4.03543 -51.9474 82.1396 -69.751 4.14565 -67.8035 -38.433 TIMING: 2997400 CPU: 8949.07, 0.00305856/step Wall: 8949.07, 0.00305856/step, 1.70141 hours remaining, 206.269531 MB of memory in use. ENERGY: 2997400 782.3427 2061.0112 1941.6040 119.8173 -206249.1547 18031.5849 0.0000 0.0000 34077.9909 -149234.8037 297.6116 -183312.7946 -149136.2765 299.9230 112.9870 148.4038 557884.7290 12.1603 12.3015 PRESSURE: 2997600 -171.885 -9.18858 72.1988 -9.18619 -81.9794 63.0675 72.1998 63.0667 -162.558 GPRESSURE: 2997600 -209.465 11.7519 54.0714 8.35401 16.4672 3.17322 -41.5245 88.9497 -131.172 PRESSAVG: 2997600 -6.26417 46.4843 -15.8268 46.4841 25.4407 -29.6357 -15.8267 -29.6357 15.9744 GPRESSAVG: 2997600 -5.25517 45.2363 -15.7876 46.712 25.3231 -30.319 -18.0159 -30.2519 15.04 TIMING: 2997600 CPU: 8949.68, 0.00303584/step Wall: 8949.68, 0.00303584/step, 1.6886 hours remaining, 206.269531 MB of memory in use. ENERGY: 2997600 770.0208 2041.9060 1950.0591 104.9397 -205840.8512 17495.0909 0.0000 0.0000 34368.8667 -149109.9680 300.1519 -183478.8347 -149005.9227 299.9942 -138.8073 -108.0565 557746.3497 11.7170 11.7026 PRESSURE: 2997800 318.024 -42.6622 -44.0513 -42.6619 -29.5058 -45.7537 -44.0525 -45.7547 269.921 GPRESSURE: 2997800 305.141 -12.1493 11.5184 -65.0868 14.2729 -10.4238 -48.0921 -82.4878 329.75 PRESSAVG: 2997800 -45.7783 62.8548 45.1824 62.8548 -4.85565 35.9382 45.1824 35.9382 73.0173 GPRESSAVG: 2997800 -47.0146 63.1929 44.2603 62.5606 -4.93903 38.2602 46.8384 35.2797 74.7207 TIMING: 2997800 CPU: 8950.28, 0.00304123/step Wall: 8950.28, 0.00304123/step, 1.69143 hours remaining, 206.269531 MB of memory in use. ENERGY: 2997800 752.8281 2083.8350 1929.1386 116.2282 -206585.2363 18063.4154 0.0000 0.0000 34444.4728 -149195.3182 300.8121 -183639.7910 -149101.8075 299.5540 186.1465 216.3880 555760.8681 7.4611 7.5890 PRESSURE: 2998000 -64.4418 15.5172 20.698 15.5176 238.73 95.3779 20.6976 95.3772 -33.9078 GPRESSURE: 2998000 -96.6437 -47.9376 35.517 100.317 326.711 166.167 37.8082 66.0579 18.3793 PRESSAVG: 2998000 99.6628 -2.47763 -0.436324 -2.4776 -0.739884 31.5332 -0.436195 31.5332 -59.0703 GPRESSAVG: 2998000 99.4933 -4.07663 -0.725966 -1.57272 0.0844254 29.4273 0.712548 34.0233 -59.5229 TIMING: 2998000 CPU: 8950.89, 0.00302297/step Wall: 8950.89, 0.00302297/step, 1.68111 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: 2998000 720.8779 2078.3868 1944.7218 128.3346 -206192.4655 17647.0568 0.0000 0.0000 34296.1230 -149376.9648 299.5166 -183673.0878 -149277.4833 299.3552 46.7934 82.8156 554098.7038 13.2842 13.3516 PRESSURE: 2998200 -41.2775 47.3397 -70.6092 47.3374 -70.3447 -113.213 -70.6091 -113.212 125.51 GPRESSURE: 2998200 -42.922 96.3038 -10.0411 22.3712 2.9724 -166.339 -67.8929 -124.436 139.715 PRESSAVG: 2998200 -31.8713 -0.0920172 -14.0227 -0.0919139 3.44598 28.1017 -14.0227 28.1016 20.3812 GPRESSAVG: 2998200 -31.7489 4.13115 -14.6667 -3.78666 4.10882 28.4283 -15.9242 26.7023 19.6606 TIMING: 2998200 CPU: 8951.5, 0.00305499/step Wall: 8951.5, 0.00305499/step, 1.69874 hours remaining, 206.269531 MB of memory in use. ENERGY: 2998200 777.2793 2074.0432 1967.9959 120.0112 -206304.1458 17771.7158 0.0000 0.0000 34200.3744 -149392.7260 298.6804 -183593.1004 -149296.3992 299.0732 4.6291 33.2551 555645.2435 -2.6814 -2.6598 PRESSURE: 2998400 -72.6759 106.348 -75.7671 106.348 -26.0153 -51.1986 -75.7667 -51.198 -19.3521 GPRESSURE: 2998400 -37.1755 164.305 -59.9727 4.07193 -27.3647 -63.6986 -48.2583 6.44613 33.3378 PRESSAVG: 2998400 -88.9376 14.0704 -52.1314 14.0704 -53.6526 15.666 -52.1314 15.666 122.845 GPRESSAVG: 2998400 -88.1982 11.5131 -53.0499 15.5898 -55.8194 17.545 -52.1298 14.6722 123.731 TIMING: 2998400 CPU: 8952.11, 0.0030373/step Wall: 8952.11, 0.0030373/step, 1.68874 hours remaining, 206.269531 MB of memory in use. ENERGY: 2998400 771.5035 2079.2851 1936.6881 114.2001 -206119.1981 17690.6034 0.0000 0.0000 34183.3642 -149343.5537 298.5318 -183526.9179 -149246.5603 298.4552 -39.3478 -10.4008 557029.3223 -6.5817 -6.7622 PRESSURE: 2998600 -73.7517 -144.003 -72.3039 -144.004 230.602 -210.724 -72.3032 -210.723 -20.6955 GPRESSURE: 2998600 -34.4197 -91.505 -9.8016 -101.406 242.511 -229.354 -62.195 -203.244 13.8084 PRESSAVG: 2998600 -15.9167 4.10776 -84.2854 4.10771 -31.0598 4.04964 -84.2855 4.04959 25.5157 GPRESSAVG: 2998600 -16.5014 5.19142 -81.7661 5.85295 -30.309 4.90266 -86.5333 3.43664 25.1584 TIMING: 2998600 CPU: 8952.71, 0.00301911/step Wall: 8952.71, 0.00301911/step, 1.67846 hours remaining, 206.269531 MB of memory in use. ENERGY: 2998600 752.1320 2090.1809 1973.6649 118.7069 -206289.3909 17663.8247 0.0000 0.0000 34222.5604 -149468.3212 298.8741 -183690.8816 -149367.0943 298.9134 45.3848 73.9667 555732.3856 -7.1536 -7.2173 PRESSURE: 2998800 64.7379 -38.4204 -5.48033 -38.4191 -126.456 -29.4561 -5.48037 -29.4567 -231.719 GPRESSURE: 2998800 104.812 -28.3066 -1.65516 -28.3005 -126.119 3.9024 0.9796 48.5764 -180.091 PRESSAVG: 2998800 -20.575 -7.61726 -16.8718 -7.61721 -36.2944 -11.872 -16.8718 -11.8719 85.7695 GPRESSAVG: 2998800 -20.4937 -7.59033 -17.7716 -8.02462 -37.1722 -14.9628 -15.3309 -9.85035 86.3016 TIMING: 2998800 CPU: 8953.31, 0.00301678/step Wall: 8953.31, 0.00301678/step, 1.677 hours remaining, 206.269531 MB of memory in use. ENERGY: 2998800 731.1794 2032.2681 1965.3983 116.0108 -206143.3751 17721.0006 0.0000 0.0000 34176.7922 -149400.7257 298.4744 -183577.5179 -149298.2415 298.9459 -97.8123 -67.1328 556996.5957 9.6334 9.5452 PRESSURE: 2999000 97.4609 4.32159 61.5075 4.32141 124.691 -101.521 61.5089 -101.52 169.331 GPRESSURE: 2999000 193.883 33.5383 70.6403 -21.1747 141.6 -73.9095 72.4786 -114.377 157.079 PRESSAVG: 2999000 19.0766 -13.9347 -18.6173 -13.9347 -45.4478 26.034 -18.6175 26.0341 5.62144 GPRESSAVG: 2999000 19.5681 -15.4522 -18.2697 -14.2171 -44.8948 27.337 -20.7321 24.7993 4.94831 TIMING: 2999000 CPU: 8953.92, 0.0030364/step Wall: 8953.92, 0.0030364/step, 1.68773 hours remaining, 206.269531 MB of memory in use. ENERGY: 2999000 780.1258 2048.3061 1967.5159 108.7003 -206592.2028 17982.0196 0.0000 0.0000 34403.5436 -149301.9915 300.4547 -183705.5352 -149208.2844 299.3267 130.4941 164.1875 555553.5504 -6.9166 -6.7928 PRESSURE: 2999200 -119.21 53.1421 -55.739 53.141 191.106 116.319 -55.7402 116.318 188.915 GPRESSURE: 2999200 -56.1553 -7.07922 -16.4064 24.1599 204.746 109.875 -155.748 85.319 215.91 PRESSAVG: 2999200 -47.068 -17.6033 -4.98837 -17.6034 -3.32436 0.483493 -4.98837 0.483516 72.545 GPRESSAVG: 2999200 -46.9782 -16.887 -4.21668 -17.6622 -3.58092 -1.48829 -3.19256 0.986279 72.61 TIMING: 2999200 CPU: 8954.53, 0.00303992/step Wall: 8954.53, 0.00303992/step, 1.68952 hours remaining, 206.269531 MB of memory in use. ENERGY: 2999200 747.6751 2047.2332 1939.1606 102.4906 -206202.4571 17812.4499 0.0000 0.0000 34260.0747 -149293.3730 299.2018 -183553.4477 -149187.6986 298.7767 86.9369 121.5005 557216.7124 7.3842 7.3503 PRESSURE: 2999400 -207.474 -85.6992 68.8698 -85.6985 173.256 -109.018 68.8707 -109.02 -147.816 GPRESSURE: 2999400 -176.062 -96.6932 126.142 -58.2826 173.723 -152.761 -72.6942 -42.7695 -79.1508 PRESSAVG: 2999400 -20.2504 25.5847 5.61752 25.5846 2.99435 18.439 5.61746 18.4389 9.12511 GPRESSAVG: 2999400 -19.8935 24.2623 5.16837 26.4771 2.42713 19.4576 6.84859 18.8069 9.60673 TIMING: 2999400 CPU: 8955.13, 0.00302376/step Wall: 8955.13, 0.00302376/step, 1.68037 hours remaining, 206.269531 MB of memory in use. ENERGY: 2999400 795.5628 2066.5235 1945.5951 109.6488 -206313.1766 17935.1875 0.0000 0.0000 34170.2063 -149290.4527 298.4169 -183460.6590 -149196.6170 298.8727 -60.6781 -27.1635 557932.6130 -2.7103 -2.6199 PRESSURE: 2999600 -334.971 -17.8557 -39.5888 -17.8567 15.8064 -22.0654 -39.5885 -22.0661 150.24 GPRESSURE: 2999600 -298.3 -21.2653 -10.8017 -57.2543 8.89024 -26.7928 -106.957 -39.2894 205.908 PRESSAVG: 2999600 20.7494 8.19093 -25.8708 8.19086 -47.2812 -17.2453 -25.8708 -17.2455 21.9372 GPRESSAVG: 2999600 19.987 8.54972 -26.05 8.82052 -46.1906 -16.1782 -27.8839 -17.2067 21.1493 TIMING: 2999600 CPU: 8955.74, 0.0030197/step Wall: 8955.74, 0.0030197/step, 1.67794 hours remaining, 206.269531 MB of memory in use. ENERGY: 2999600 742.4210 2078.7034 1926.4860 117.2156 -206008.6827 17784.6036 0.0000 0.0000 34207.1568 -149152.0964 298.7396 -183359.2531 -149059.1936 299.6854 -56.3085 -27.8340 557860.3943 -1.5315 -1.6848 PRESSURE: 2999800 -242.605 76.6827 -59.3306 76.6819 -222.499 35.1508 -59.3305 35.1507 99.9252 GPRESSURE: 2999800 -192.693 128.616 -6.37624 140.242 -175.973 -26.9172 -91.6634 51.3497 94.1881 PRESSAVG: 2999800 -55.5418 -36.2257 -51.4198 -36.2257 37.4049 -44.1889 -51.4198 -44.1889 -14.8779 GPRESSAVG: 2999800 -54.8469 -36.197 -49.9032 -37.7292 36.4486 -45.711 -50.4615 -45.2067 -15.2231 TIMING: 2999800 CPU: 8956.35, 0.00303956/step Wall: 8956.35, 0.00303956/step, 1.68881 hours remaining, 206.269531 MB of memory in use. ENERGY: 2999800 728.2530 2094.3177 1930.6256 118.6231 -205700.7919 17609.7466 0.0000 0.0000 34328.6335 -148890.5923 299.8005 -183219.2258 -148783.3640 299.9166 -121.7261 -91.4929 559363.5504 -11.0050 -11.2071 PRESSURE: 3000000 -110.096 61.3934 4.4443 61.3923 79.2323 59.5525 4.44336 59.5531 -141.617 GPRESSURE: 3000000 -50.5667 111.526 29.0092 -59.1985 74.4742 116.687 -22.2585 -15.6293 -100.626 PRESSAVG: 3000000 39.3411 -54.6487 15.3529 -54.6486 14.0505 -6.4146 15.353 -6.41469 -34.8664 GPRESSAVG: 3000000 38.5401 -52.0791 16.0124 -55.0291 14.2704 -7.199 13.0336 -6.6478 -34.4139 TIMING: 3000000 CPU: 8956.95, 0.0030297/step Wall: 8956.95, 0.0030297/step, 1.68316 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: 3000000 747.8581 2070.5608 1948.2071 117.9971 -205953.8305 17699.6474 0.0000 0.0000 34416.6213 -148952.9388 300.5689 -183369.5601 -148857.3844 299.6771 -57.4936 -25.5729 556842.2545 6.1750 6.1322 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3000000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3000000 WRITING COORDINATES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3000200 -552.35 108.874 -134.814 108.873 -57.5174 -59.1619 -134.816 -59.1633 -397.775 GPRESSURE: 3000200 -478.679 141.372 -124.682 34.3148 -69.1332 -14.3911 -200.431 -7.01894 -357.013 PRESSAVG: 3000200 34.2076 11.1798 8.2558 11.1798 44.9687 -45.8704 8.2558 -45.8704 -42.8203 GPRESSAVG: 3000200 34.7082 10.2208 7.5163 11.6312 45.0702 -44.4427 10.3676 -44.5544 -43.3198 TIMING: 3000200 CPU: 8957.57, 0.00310216/step Wall: 8957.57, 0.00310216/step, 1.72325 hours remaining, 206.269531 MB of memory in use. ENERGY: 3000200 746.9282 2067.3811 1944.5689 110.0166 -205532.3704 17403.2833 0.0000 0.0000 34263.2869 -148996.9055 299.2298 -183260.1923 -148905.4892 299.8054 -335.8807 -301.6083 557970.8551 12.1187 12.1529 LDB: ============= START OF LOAD BALANCING ============== 8961.01 LDB: ============== END OF LOAD BALANCING =============== 8961.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8961.01 LDB: ============= START OF LOAD BALANCING ============== 8961.32 LDB: Largest compute 4820 load 0.031148 is 26.4% of average load 0.117988 LDB: Average compute 0.001742 is 1.5% of average load 0.117988 LDB: TIME 8961.32 LOAD: AVG 0.117988 MAX 0.209142 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.07 MB LDB: TIME 8961.32 LOAD: AVG 0.117988 MAX 0.209142 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.074 MB LDB: TIME 8961.32 LOAD: AVG 0.117988 MAX 0.209142 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.074 MB LDB: ============== END OF LOAD BALANCING =============== 8961.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8961.33 PRESSURE: 3000400 241.843 -102.918 175.346 -102.917 -63.695 -86.7655 175.344 -86.7662 -268.717 GPRESSURE: 3000400 220.096 -96.9813 137.925 -75.8635 -13.998 -92.0492 278.644 -73.4177 -216.584 PRESSAVG: 3000400 -11.4753 -32.5241 3.22073 -32.5241 -12.8427 -25.0607 3.22079 -25.0606 15.5015 GPRESSAVG: 3000400 -12.1734 -31.0089 3.89024 -32.7448 -12.8774 -24.4326 3.06469 -25.2974 15.6915 TIMING: 3000400 CPU: 8958.2, 0.00311437/step Wall: 8958.2, 0.00311437/step, 1.72986 hours remaining, 206.707031 MB of memory in use. ENERGY: 3000400 721.6985 2053.6240 1951.3295 107.7288 -205977.2587 17719.2421 0.0000 0.0000 34455.8197 -148967.8162 300.9112 -183423.6359 -148865.4326 300.5278 -30.1896 -3.4952 558409.7860 -2.9389 -3.1198 PRESSURE: 3000600 97.9712 -91.3593 -24.4969 -91.3596 -34.3814 -35.1044 -24.4983 -35.1047 60.8502 GPRESSURE: 3000600 126.277 -71.7338 -73.3074 -40.5427 32.001 -35.4973 27.2855 -36.5703 70.717 PRESSAVG: 3000600 11.0049 30.4605 27.7693 30.4604 -5.91347 13.5873 27.7692 13.5873 6.9767 GPRESSAVG: 3000600 12.3803 28.6241 26.5546 32.1824 -6.8106 11.8894 28.3021 13.2432 6.833 TIMING: 3000600 CPU: 8958.81, 0.00305301/step Wall: 8958.81, 0.00305301/step, 1.69561 hours remaining, 206.847656 MB of memory in use. ENERGY: 3000600 735.2473 2088.7364 1926.6457 117.4529 -205996.9755 17829.0509 0.0000 0.0000 34364.5293 -148935.3130 300.1140 -183299.8423 -148839.0360 299.8695 41.4800 76.3316 557067.9002 4.0227 4.1342 PRESSURE: 3000800 -116.12 -48.981 -64.6193 -48.9816 70.4729 -67.4473 -64.617 -67.448 -527.598 GPRESSURE: 3000800 -97.4067 -15.184 -104.765 22.7779 139.685 -91.6102 -40.6202 -78.7149 -520.746 PRESSAVG: 3000800 46.5624 -0.561922 4.09022 -0.561889 -35.5539 20.2502 4.09018 20.2502 -16.6457 GPRESSAVG: 3000800 45.1364 -1.11231 4.4903 -1.90142 -34.941 20.9407 4.27259 18.0068 -15.281 TIMING: 3000800 CPU: 8959.42, 0.00304848/step Wall: 8959.42, 0.00304848/step, 1.69292 hours remaining, 206.847656 MB of memory in use. ENERGY: 3000800 730.8387 2070.3194 1935.0447 111.3397 -205853.7988 17464.7139 0.0000 0.0000 34617.9051 -148923.6373 302.3268 -183541.5424 -148824.0569 300.4660 -191.0816 -159.4892 558963.8147 -1.8791 -1.6952 PRESSURE: 3001000 -71.9763 -125.175 -74.1893 -125.174 -88.7262 -7.68318 -74.1892 -7.68446 103.639 GPRESSURE: 3001000 -32.0313 -230.692 -8.45979 -119.674 -118.111 18.2241 -182.696 72.7955 190.856 PRESSAVG: 3001000 13.8657 24.2668 -2.68079 24.2668 -17.2784 40.9837 -2.68068 40.9839 -6.5767 GPRESSAVG: 3001000 14.1347 26.2261 -3.88896 22.4433 -16.739 41.76 -1.16857 43.4948 -7.14804 TIMING: 3001000 CPU: 8960.02, 0.00303716/step Wall: 8960.02, 0.00303716/step, 1.68646 hours remaining, 206.847656 MB of memory in use. ENERGY: 3001000 745.4612 2090.2182 1946.1338 114.9480 -206265.5604 17684.7980 0.0000 0.0000 34615.8718 -149068.1293 302.3090 -183684.0011 -148969.6666 300.2996 -19.0211 13.5713 554864.3232 -3.3298 -3.2508 PRESSURE: 3001200 25.4653 -217.091 -95.4632 -217.09 -31.4082 89.5194 -95.4623 89.5201 15.5897 GPRESSURE: 3001200 93.4638 -220.588 -99.2754 -250.603 -0.71627 139.759 -100.728 78.8088 3.40996 PRESSAVG: 3001200 50.2509 -7.53513 -8.19181 -7.53507 -40.0983 54.6426 -8.19178 54.6427 17.5518 GPRESSAVG: 3001200 51.1738 -11.1114 -8.33911 -4.91864 -40.3429 55.7169 -8.85787 52.7092 17.4393 TIMING: 3001200 CPU: 8960.63, 0.00304494/step Wall: 8960.63, 0.00304494/step, 1.69062 hours remaining, 206.847656 MB of memory in use. ENERGY: 3001200 723.6984 2075.7540 1939.4373 110.1187 -205681.3986 17552.1820 0.0000 0.0000 34244.5354 -149035.6728 299.0660 -183280.2081 -148934.1537 299.3558 3.2156 32.0525 555550.9261 9.2348 9.4234 PRESSURE: 3001400 121.671 -47.8411 145.575 -47.8409 166.89 5.97023 145.576 5.97031 218.347 GPRESSURE: 3001400 198.994 -32.8787 160.96 -78.1201 150.833 -64.14 130.251 12.8666 247.094 PRESSAVG: 3001400 28.0652 -24.196 21.207 -24.1962 12.878 -10.6095 21.207 -10.6096 14.5037 GPRESSAVG: 3001400 26.4442 -22.4099 21.8845 -24.4273 14.8969 -9.81333 20.1146 -10.3198 14.4869 TIMING: 3001400 CPU: 8961.24, 0.00302459/step Wall: 8961.24, 0.00302459/step, 1.67915 hours remaining, 206.847656 MB of memory in use. ENERGY: 3001400 744.4784 2073.6186 1990.8858 107.5635 -206273.7993 17992.4248 0.0000 0.0000 34392.7034 -148972.1247 300.3600 -183364.8282 -148880.9582 300.1782 168.9695 198.9736 555264.0918 18.4823 18.6093 PRESSURE: 3001600 309.897 -117.204 -59.1128 -117.203 241.451 -129.819 -59.112 -129.821 16.5144 GPRESSURE: 3001600 409.599 -179.119 32.5571 11.9234 248.202 -143.436 -143.008 -190.857 5.38236 PRESSAVG: 3001600 12.6822 -67.792 6.84918 -67.792 8.36609 -7.85224 6.84908 -7.85212 -20.1186 GPRESSAVG: 3001600 13.6013 -68.2012 5.41025 -67.1004 7.36814 -10.7007 8.53368 -5.84486 -20.5623 TIMING: 3001600 CPU: 8961.84, 0.00302498/step Wall: 8961.84, 0.00302498/step, 1.6792 hours remaining, 206.847656 MB of memory in use. ENERGY: 3001600 727.5926 2087.6317 1934.2247 109.9410 -206163.5005 18021.9909 0.0000 0.0000 34191.6018 -149090.5178 298.6038 -183282.1196 -148992.7736 299.4032 189.2875 221.0612 556338.4014 0.3099 0.1357 PRESSURE: 3001800 -121.109 136.461 1.61671 136.461 -7.28239 182.008 1.61644 182.006 -269.905 GPRESSURE: 3001800 -75.2079 33.0817 -49.0751 175.726 57.2418 181.043 14.2901 182.662 -295.411 PRESSAVG: 3001800 7.28645 -24.4602 -16.3975 -24.4602 -41.0075 48.4757 -16.3975 48.4758 22.8822 GPRESSAVG: 3001800 8.01957 -24.8557 -14.4664 -24.3885 -41.4949 49.2238 -20.2332 45.7434 22.5982 TIMING: 3001800 CPU: 8962.45, 0.00303565/step Wall: 8962.45, 0.00303565/step, 1.68495 hours remaining, 206.847656 MB of memory in use. ENERGY: 3001800 724.6742 2049.9358 1938.8867 104.0768 -205819.8356 17580.5453 0.0000 0.0000 34441.3624 -148980.3545 300.7850 -183421.7169 -148885.5598 299.5054 -132.7653 -104.4589 558078.7832 -3.6130 -3.6257 PRESSURE: 3002000 -249.735 43.3529 186.238 43.3534 107.269 -113.883 186.239 -113.884 -130.355 GPRESSURE: 3002000 -161.672 21.4081 260.302 77.5727 67.7476 -196.651 89.1863 -93.6442 -91.8247 PRESSAVG: 3002000 4.84092 28.8234 6.79828 28.8234 62.5503 -47.7008 6.79835 -47.7008 -51.9188 GPRESSAVG: 3002000 4.57 27.8978 7.86352 28.5579 62.7233 -47.4492 6.70658 -45.1085 -51.572 TIMING: 3002000 CPU: 8963.06, 0.00302632/step Wall: 8963.06, 0.00302632/step, 1.67961 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: 3002000 728.5428 2084.5579 1947.7294 103.2870 -205804.6412 17537.7033 0.0000 0.0000 34428.5501 -148974.2707 300.6731 -183402.8209 -148881.1761 300.1315 -90.9403 -61.9162 557541.2089 5.1575 5.2404 PRESSURE: 3002200 -294.659 -112.118 -96.1284 -112.119 -75.0462 47.7139 -96.1278 47.715 -33.7804 GPRESSURE: 3002200 -259.154 -212.644 -78.4493 -29.4363 -54.8254 60.249 5.36631 9.82196 6.44665 PRESSAVG: 3002200 -20.6902 24.0126 5.80098 24.0124 54.1462 13.7776 5.80096 13.7776 -22.9437 GPRESSAVG: 3002200 -20.39 24.586 4.58151 23.7691 54.3285 14.9291 8.07336 12.9571 -22.9083 TIMING: 3002200 CPU: 8963.66, 0.00304425/step Wall: 8963.66, 0.00304425/step, 1.68939 hours remaining, 206.847656 MB of memory in use. ENERGY: 3002200 733.5585 2111.0863 1926.3558 101.8020 -205817.9092 17603.6056 0.0000 0.0000 34428.9433 -148912.5577 300.6765 -183341.5009 -148820.4978 300.2877 -134.4953 -102.5109 557576.0163 3.5041 3.6767 PRESSURE: 3002400 -8.11619 -10.8383 -85.6689 -10.8385 121.355 -46.1997 -85.6676 -46.1998 89.2925 GPRESSURE: 3002400 3.04766 13.4601 -163.837 -32.5336 150.115 -52.8106 -110.29 -54.2037 155.415 PRESSAVG: 3002400 55.4143 -31.2204 -22.2636 -31.2205 39.2892 -9.31135 -22.2637 -9.31139 -85.1912 GPRESSAVG: 3002400 55.2676 -29.4631 -22.0877 -31.5485 39.8454 -8.21962 -22.8228 -10.1039 -85.5581 TIMING: 3002400 CPU: 8964.27, 0.00304811/step Wall: 8964.27, 0.00304811/step, 1.69136 hours remaining, 206.847656 MB of memory in use. ENERGY: 3002400 771.9812 2113.8911 1929.7302 103.9307 -206079.7568 17821.5974 0.0000 0.0000 34362.9150 -148975.7112 300.0999 -183338.6262 -148888.8893 299.6118 67.5104 102.8594 558001.4869 3.1708 3.1850 PRESSURE: 3002600 -74.6593 -28.7764 78.8432 -28.7767 -32.4922 82.0318 78.8427 82.032 8.31964 GPRESSURE: 3002600 -69.3224 -23.3544 82.6717 -37.1757 -9.17079 20.612 51.055 114.221 70.4818 PRESSAVG: 3002600 -36.375 -0.494715 -48.1636 -0.494758 -33.8393 34.9449 -48.1636 34.945 69.7674 GPRESSAVG: 3002600 -35.7932 -2.23019 -48.6522 0.759552 -33.9231 34.7628 -48.4103 33.9095 69.0059 TIMING: 3002600 CPU: 8964.89, 0.00306642/step Wall: 8964.89, 0.00306642/step, 1.70135 hours remaining, 206.847656 MB of memory in use. ENERGY: 3002600 735.7731 2066.4433 1959.9116 116.2028 -205895.7252 17635.9998 0.0000 0.0000 34405.3676 -148976.0270 300.4706 -183381.3946 -148874.0104 300.3465 -32.9439 -2.6705 558491.0203 -0.1490 -0.2368 PRESSURE: 3002800 -33.0448 126.035 -126.213 126.035 268.365 12.1513 -126.211 12.1523 -20.1144 GPRESSURE: 3002800 -8.94185 101.518 -82.4974 91.1736 253.948 14.7051 -38.6759 -12.5582 61.52 PRESSAVG: 3002800 -57.7692 3.6736 -8.51856 3.67351 -7.05907 -8.9579 -8.5185 -8.95786 21.8274 GPRESSAVG: 3002800 -57.3896 5.46685 -8.24468 1.51717 -7.56554 -10.6239 -8.07773 -7.53043 21.808 TIMING: 3002800 CPU: 8965.49, 0.00303922/step Wall: 8965.49, 0.00303922/step, 1.68609 hours remaining, 206.847656 MB of memory in use. ENERGY: 3002800 768.2865 2075.5699 1936.7264 123.6870 -206193.9921 17915.0321 0.0000 0.0000 34414.8011 -148959.8890 300.5530 -183374.6901 -148873.7428 299.7569 71.7354 102.1753 559171.0902 -14.3336 -14.3824 PRESSURE: 3003000 149.141 17.3497 212.384 17.3485 -11.3333 29.808 212.384 29.8066 51.9273 GPRESSURE: 3003000 176.414 -20.8509 183.233 39.745 34.3406 53.4813 293.341 45.4341 77.5615 PRESSAVG: 3003000 -20.2316 -7.38577 -35.2062 -7.38564 43.7142 -40.7855 -35.2061 -40.7854 -38.4407 GPRESSAVG: 3003000 -20.6007 -6.41353 -35.4728 -8.27489 42.7736 -40.3911 -34.2818 -40.8648 -37.4611 TIMING: 3003000 CPU: 8966.11, 0.00306417/step Wall: 8966.11, 0.00306417/step, 1.69976 hours remaining, 206.847656 MB of memory in use. ENERGY: 3003000 754.6766 2122.9932 1962.3496 104.8295 -206187.5852 17847.2708 0.0000 0.0000 34337.8493 -149057.6163 299.8810 -183395.4656 -148962.8044 299.1322 63.2449 96.1053 556965.5793 -4.9861 -5.0961 PRESSURE: 3003200 -166.143 40.4188 87.929 40.4194 43.8845 -3.79755 87.9279 -3.79701 -138.409 GPRESSURE: 3003200 -127.188 24.4561 71.0182 -13.7564 85.361 -4.78327 68.2261 44.2557 -120.688 PRESSAVG: 3003200 2.31225 -21.5548 28.6166 -21.5549 38.1638 -40.5396 28.6166 -40.5395 -7.11064 GPRESSAVG: 3003200 2.03151 -25.7687 27.8959 -18.7182 39.6332 -41.7595 26.8592 -39.5682 -8.34503 TIMING: 3003200 CPU: 8966.72, 0.00304625/step Wall: 8966.72, 0.00304625/step, 1.68965 hours remaining, 206.847656 MB of memory in use. ENERGY: 3003200 775.2160 2169.8597 1932.7608 114.6362 -205907.7370 17667.0193 0.0000 0.0000 34196.0879 -149052.1572 298.6429 -183248.2451 -148955.3073 299.6663 -86.8891 -54.1716 556991.6665 11.1218 11.1066 PRESSURE: 3003400 -355.493 65.8464 -41.0747 65.8473 -244.958 -17.8393 -41.0753 -17.841 -65.9484 GPRESSURE: 3003400 -327.291 123.38 -57.7543 -32.319 -214.927 -38.9711 -104.815 -50.1519 -39.7193 PRESSAVG: 3003400 -9.61208 -1.77882 11.5216 -1.77888 -57.9633 -78.7291 11.5216 -78.7291 8.67832 GPRESSAVG: 3003400 -9.24535 1.0523 11.453 -3.83934 -58.473 -78.1863 12.1758 -79.2892 8.76354 TIMING: 3003400 CPU: 8967.33, 0.00306668/step Wall: 8967.33, 0.00306668/step, 1.70082 hours remaining, 206.847656 MB of memory in use. ENERGY: 3003400 770.6708 2068.2134 1923.3406 106.1596 -205684.0438 17389.0319 0.0000 0.0000 34238.2786 -149188.3489 299.0114 -183426.6275 -149085.9810 300.1075 -222.1331 -193.9790 558124.9375 -19.6323 -19.6516 PRESSURE: 3003600 -71.7392 -39.3413 -98.7535 -39.3401 37.0512 80.8244 -98.7533 80.8243 140.12 GPRESSURE: 3003600 -35.656 -64.4113 -55.3473 -18.3082 31.585 140.956 -99.3485 90.4561 212.029 PRESSAVG: 3003600 25.4128 -4.38237 22.1528 -4.38242 -5.92697 2.16115 22.1529 2.16123 18.2293 GPRESSAVG: 3003600 24.4151 -3.64163 23.8768 -4.82889 -5.08083 1.52166 21.8851 1.25426 18.9853 TIMING: 3003600 CPU: 8967.94, 0.0030509/step Wall: 8967.94, 0.0030509/step, 1.69189 hours remaining, 206.847656 MB of memory in use. ENERGY: 3003600 706.2357 2147.9875 1936.4308 118.0406 -206300.7878 17940.2524 0.0000 0.0000 34260.5746 -149191.2661 299.2061 -183451.8407 -149094.1983 299.8340 35.1439 69.3194 558074.5132 12.5717 12.7732 PRESSURE: 3003800 -79.316 62.2591 60.1739 62.2595 30.7413 -124.875 60.174 -124.876 27.5923 GPRESSURE: 3003800 25.0438 69.2171 -9.10807 150.855 9.01843 -78.123 46.2502 -149.354 36.7388 PRESSAVG: 3003800 -30.113 32.4733 -16.2985 32.4733 -16.5056 8.1762 -16.2985 8.17621 55.8606 GPRESSAVG: 3003800 -29.7927 30.8463 -16.9804 34.6918 -17.4278 8.72422 -16.2557 7.37407 56.5608 TIMING: 3003800 CPU: 8968.55, 0.00305924/step Wall: 8968.55, 0.00305924/step, 1.69635 hours remaining, 206.968750 MB of memory in use. ENERGY: 3003800 717.2182 2104.8617 1934.6014 109.1616 -206005.0450 17566.7861 0.0000 0.0000 34414.7070 -149157.7090 300.5522 -183572.4160 -149059.9050 299.6333 -6.9941 23.6003 557424.6349 3.0807 3.1134 PRESSURE: 3004000 54.4652 -82.8574 -91.9953 -82.8575 -16.941 156.815 -91.9969 156.816 -99.9097 GPRESSURE: 3004000 30.0734 -80.4208 -105.928 -85.6746 -7.22667 189.803 -125.791 112.374 -1.74123 PRESSAVG: 3004000 -4.09196 -9.59249 -25.4646 -9.59265 32.5539 -26.3264 -25.4648 -26.3264 -20.7955 GPRESSAVG: 3004000 -3.83715 -9.04925 -26.6361 -10.3734 31.5674 -28.1939 -22.7652 -25.3537 -19.911 TIMING: 3004000 CPU: 8969.16, 0.00306405/step Wall: 8969.16, 0.00306405/step, 1.69885 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: 3004000 724.0309 2091.1023 1929.3383 123.5316 -206110.3350 17688.6461 0.0000 0.0000 34415.7585 -149137.9272 300.5614 -183553.6857 -149048.0860 300.1291 -20.7952 7.0352 556697.2048 2.5555 2.6064 PRESSURE: 3004200 -173.379 -48.0756 48.6684 -48.076 -86.5113 -60.7411 48.6691 -60.741 222.697 GPRESSURE: 3004200 -109.393 -79.2083 -81.61 -4.29256 -19.6248 -120.311 79.9819 -1.06623 175.743 PRESSAVG: 3004200 -24.7117 -40.3894 0.962625 -40.3893 -31.9143 -8.14023 0.962534 -8.14018 63.2371 GPRESSAVG: 3004200 -24.2354 -41.1097 1.23323 -41.9805 -31.3632 -6.03344 -1.75755 -9.48799 61.8587 TIMING: 3004200 CPU: 8969.77, 0.00301241/step Wall: 8969.77, 0.00301241/step, 1.67005 hours remaining, 207.105469 MB of memory in use. ENERGY: 3004200 717.1668 2094.6159 1926.9713 120.2840 -206014.2544 17613.8366 0.0000 0.0000 34261.6449 -149279.7349 299.2155 -183541.3798 -149188.3810 299.6203 -12.3976 15.5750 556232.1053 2.2037 2.0867 LDB: ============= START OF LOAD BALANCING ============== 8973.2 LDB: ============== END OF LOAD BALANCING =============== 8973.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8973.2 LDB: ============= START OF LOAD BALANCING ============== 8973.5 LDB: Largest compute 4820 load 0.029792 is 25.2% of average load 0.118017 LDB: Average compute 0.001744 is 1.5% of average load 0.118017 LDB: TIME 8973.51 LOAD: AVG 0.118017 MAX 0.211918 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 8973.51 LOAD: AVG 0.118017 MAX 0.211918 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 8973.51 LOAD: AVG 0.118017 MAX 0.211918 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8973.51 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8973.51 PRESSURE: 3004400 -48.4733 20.2843 -13.2514 20.2838 -68.6685 15.1852 -13.2511 15.1863 37.2204 GPRESSURE: 3004400 -20.5176 -39.7611 22.1985 -14.5775 -72.9266 56.6752 63.8683 17.8969 97.524 PRESSAVG: 3004400 18.8554 40.9583 24.0342 40.9583 44.4394 -32.5207 24.0342 -32.5206 -56.8132 GPRESSAVG: 3004400 19.6571 41.7106 26.4835 42.1135 44.231 -33.2428 23.3859 -31.6518 -57.4998 TIMING: 3004400 CPU: 8970.38, 0.00308253/step Wall: 8970.38, 0.00308253/step, 1.70875 hours remaining, 205.699219 MB of memory in use. ENERGY: 3004400 734.6189 2089.7369 1968.2666 116.1541 -206563.9158 18048.7509 0.0000 0.0000 34226.3801 -149380.0083 298.9075 -183606.3884 -149286.5597 299.0756 -26.6404 1.3599 557588.8254 2.1605 2.1294 PRESSURE: 3004600 -103.654 -106.152 -31.6759 -106.151 60.4812 -26.9638 -31.6779 -26.9654 -54.2526 GPRESSURE: 3004600 0.98159 -132.562 -116.897 -95.1205 78.929 -10.4222 -18.1358 -93.414 -77.2058 PRESSAVG: 3004600 -17.9501 14.3873 -23.5954 14.3874 35.4882 32.4941 -23.5953 32.4942 -2.43908 GPRESSAVG: 3004600 -18.2592 15.6726 -23.2033 13.5033 35.0827 32.9406 -23.0437 34.1534 -1.98524 TIMING: 3004600 CPU: 8970.99, 0.00303739/step Wall: 8970.99, 0.00303739/step, 1.68356 hours remaining, 205.902344 MB of memory in use. ENERGY: 3004600 729.6386 2117.7074 1953.9791 115.7180 -206280.7073 17742.5540 0.0000 0.0000 34107.6712 -149513.4391 297.8708 -183621.1103 -149411.0041 298.9333 -32.4752 0.9016 556633.6768 5.0330 4.9461 PRESSURE: 3004800 129.959 -73.3497 -0.71183 -73.3508 -21.2931 -49.4765 -0.712323 -49.4771 -23.8742 GPRESSURE: 3004800 141.958 -79.4317 -38.0481 -49.8678 -4.73191 -50.2899 28.7534 -58.5018 44.4646 PRESSAVG: 3004800 -12.6117 3.18558 -4.95127 3.18563 0.591189 -20.0075 -4.9513 -20.0075 -8.69063 GPRESSAVG: 3004800 -13.0699 1.7478 -7.46917 3.60992 1.34403 -19.5595 -3.94825 -21.4193 -8.91667 TIMING: 3004800 CPU: 8971.6, 0.00305057/step Wall: 8971.6, 0.00305057/step, 1.69069 hours remaining, 205.902344 MB of memory in use. ENERGY: 3004800 731.6262 2071.1346 1918.1963 119.9712 -206277.4521 17798.2411 0.0000 0.0000 34222.3533 -149415.9294 298.8723 -183638.2827 -149318.0668 299.0848 28.2638 60.5635 556845.7372 -6.9037 -6.8808 PRESSURE: 3005000 47.2911 105.311 59.912 105.311 -48.4973 62.3585 59.9132 62.3572 -54.719 GPRESSURE: 3005000 70.0386 112.131 36.0347 43.5184 -39.1528 50.0552 148.855 72.9209 0.900954 PRESSAVG: 3005000 13.1284 -54.8072 12.6286 -54.8073 -25.3574 16.5865 12.6287 16.5866 -49.4379 GPRESSAVG: 3005000 13.3712 -54.8198 14.9383 -53.5975 -25.412 18.5571 10.2339 15.6308 -49.5981 TIMING: 3005000 CPU: 8972.21, 0.00304083/step Wall: 8972.21, 0.00304083/step, 1.68513 hours remaining, 205.902344 MB of memory in use. ENERGY: 3005000 765.5586 2128.2730 1934.6860 122.8873 -206645.8912 17979.1633 0.0000 0.0000 34380.1594 -149335.1636 300.2505 -183715.3230 -149242.9275 299.5534 -18.6417 10.5956 557677.4866 -20.5557 -20.5463 PRESSURE: 3005200 151.877 -11.1126 -218.556 -11.1141 -191.375 -29.5844 -218.556 -29.5846 119.314 GPRESSURE: 3005200 165.351 -19.4176 -179.248 -39.4803 -126.297 -56.2022 -219.217 -0.0179032 139.768 PRESSAVG: 3005200 72.9928 8.74958 9.95978 8.74959 -56.0688 -0.453636 9.95979 -0.453649 -35.9927 GPRESSAVG: 3005200 72.5186 8.6145 7.6022 8.0638 -56.1768 -2.56416 13.3719 1.91111 -35.7136 TIMING: 3005200 CPU: 8972.82, 0.00304491/step Wall: 8972.82, 0.00304491/step, 1.68722 hours remaining, 205.902344 MB of memory in use. ENERGY: 3005200 731.2415 2058.5727 1977.7278 113.3124 -206258.5295 17819.1050 0.0000 0.0000 34390.1210 -149168.4490 300.3375 -183558.5701 -149069.5954 299.1939 26.6052 59.6073 556483.1928 -6.3562 -6.4573 PRESSURE: 3005400 -190.269 180.721 75.5756 180.72 -187.953 27.1573 75.5763 27.1576 -100.039 GPRESSURE: 3005400 -223.405 172.775 189.86 121.131 -77.3902 8.42685 4.47985 92.5929 -78.3785 PRESSAVG: 3005400 38.7792 63.3008 -4.30898 63.3008 -35.8171 50.5518 -4.30898 50.5519 -16.5798 GPRESSAVG: 3005400 38.7908 61.8456 -2.22278 64.3133 -34.5927 50.2082 -7.2751 50.3019 -17.2011 TIMING: 3005400 CPU: 8973.43, 0.00303635/step Wall: 8973.43, 0.00303635/step, 1.6823 hours remaining, 205.902344 MB of memory in use. ENERGY: 3005400 788.1257 2118.3997 1937.1048 121.2380 -206207.9958 17663.1249 0.0000 0.0000 34273.7016 -149306.3010 299.3208 -183580.0026 -149210.0172 299.7852 -159.4203 -126.3911 557278.4352 -4.5392 -4.3343 PRESSURE: 3005600 -25.9538 59.7891 58.4514 59.7896 87.7477 93.428 58.4517 93.4278 -210.285 GPRESSURE: 3005600 -2.5599 54.9431 -73.9381 55.6941 90.8943 147.47 112.605 54.1104 -140.571 PRESSAVG: 3005600 -4.79151 38.2945 5.86283 38.2945 17.8039 -27.3405 5.86281 -27.3406 35.3475 GPRESSAVG: 3005600 -4.3431 37.7904 4.63641 37.1341 17.083 -26.6442 8.00882 -27.8747 35.7591 TIMING: 3005600 CPU: 8974.04, 0.00305691/step Wall: 8974.04, 0.00305691/step, 1.69353 hours remaining, 205.902344 MB of memory in use. ENERGY: 3005600 714.6533 2155.6415 1939.7742 128.8568 -205933.2346 17762.2627 0.0000 0.0000 34075.4137 -149156.6323 297.5891 -183232.0460 -149063.1263 299.2166 -49.4971 -17.4122 558633.7998 16.1200 16.1663 PRESSURE: 3005800 -7.58634 -80.2293 217.606 -80.23 -138.656 -32.165 217.605 -32.1672 -71.8694 GPRESSURE: 3005800 15.8117 -90.4275 220.276 -21.2668 -124.773 -7.98468 164.575 5.99376 -11.8243 PRESSAVG: 3005800 20.649 -10.4723 34.1494 -10.4723 -12.9741 19.0421 34.1494 19.0422 -28.2311 GPRESSAVG: 3005800 20.8324 -9.56602 32.735 -10.1878 -13.1046 17.7072 34.3469 19.6656 -28.1445 TIMING: 3005800 CPU: 8974.64, 0.00302566/step Wall: 8974.64, 0.00302566/step, 1.67605 hours remaining, 205.902344 MB of memory in use. ENERGY: 3005800 786.3683 2091.9908 1952.6426 126.8156 -206023.8971 17775.4679 0.0000 0.0000 34225.5327 -149065.0793 298.9001 -183290.6120 -148966.2445 299.3541 -72.7039 -40.2618 558100.5133 -6.8521 -6.8056 PRESSURE: 3006000 -82.4482 -14.0974 121.15 -14.0974 42.5266 46.7951 121.149 46.7943 -146.273 GPRESSURE: 3006000 -82.412 14.6804 14.57 -41.8855 97.9482 55.6998 118.841 33.136 -99.2359 PRESSAVG: 3006000 -5.5372 -15.9282 -0.107853 -15.9281 25.1903 24.2154 -0.107732 24.2153 -8.97234 GPRESSAVG: 3006000 -5.85292 -15.3738 1.39927 -17.4713 25.0713 25.1244 -0.530501 23.4816 -8.08259 TIMING: 3006000 CPU: 8975.25, 0.00305345/step Wall: 8975.25, 0.00305345/step, 1.69127 hours remaining, 205.902344 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: 3006000 795.7152 2107.2796 1937.0660 110.6134 -206132.8432 17818.7761 0.0000 0.0000 34229.3024 -149134.0905 298.9330 -183363.3929 -149039.0931 299.8306 -62.0647 -27.8999 557599.3496 3.5603 3.7119 PRESSURE: 3006200 6.71086 -19.0488 10.3348 -19.0501 -8.89204 -40.2036 10.3345 -40.2034 -58.9488 GPRESSURE: 3006200 20.1714 15.4347 89.9521 -13.2125 59.1731 80.0825 11.7929 11.4138 -43.0914 PRESSAVG: 3006200 20.6842 -11.2059 -19.6945 -11.206 12.9056 40.6866 -19.6944 40.6867 -14.2817 GPRESSAVG: 3006200 20.3428 -11.9727 -20.7744 -8.42922 14.3999 40.3379 -19.9879 39.8652 -15.0089 TIMING: 3006200 CPU: 8975.86, 0.00305829/step Wall: 8975.86, 0.00305829/step, 1.69378 hours remaining, 205.902344 MB of memory in use. ENERGY: 3006200 790.3622 2115.1512 1958.2256 110.1943 -206375.8849 17801.6300 0.0000 0.0000 34338.6499 -149261.6717 299.8880 -183600.3215 -149168.1143 300.1143 -20.3767 12.0844 557625.7025 6.4360 6.5779 PRESSURE: 3006400 10.3749 54.2597 84.6128 54.26 -32.5617 -6.05478 84.6126 -6.05376 8.49033 GPRESSURE: 3006400 98.2815 90 72.3089 36.0435 -40.5482 -5.09962 37.3787 192.71 32.8435 PRESSAVG: 3006400 44.0462 30.3989 -2.19592 30.3989 10.0892 5.57312 -2.19591 5.57306 -19.5328 GPRESSAVG: 3006400 43.9742 31.0556 -1.10504 28.6396 9.84753 5.02944 -3.89848 8.3975 -19.2782 TIMING: 3006400 CPU: 8976.47, 0.00302186/step Wall: 8976.47, 0.00302186/step, 1.67344 hours remaining, 205.902344 MB of memory in use. ENERGY: 3006400 754.7509 2119.1873 1945.5334 112.6989 -205982.6120 17774.6080 0.0000 0.0000 34118.9792 -149156.8543 297.9695 -183275.8335 -149057.8936 299.4195 -4.5655 30.1923 558534.8498 11.5342 11.5145 PRESSURE: 3006600 62.1987 -46.7988 24.3693 -46.7999 -330.209 83.1424 24.3693 83.1434 -39.7227 GPRESSURE: 3006600 121.404 -23.7646 -28.5116 -117.59 -309.851 56.7793 26.4345 179.258 -16.8483 PRESSAVG: 3006600 -12.9167 -22.9055 18.1219 -22.9054 4.9479 17.2216 18.122 17.2215 -18.8892 GPRESSAVG: 3006600 -11.4267 -22.8091 20.814 -22.0253 4.1186 17.153 17.7243 14.4857 -18.8457 TIMING: 3006600 CPU: 8977.07, 0.00301885/step Wall: 8977.07, 0.00301885/step, 1.67161 hours remaining, 205.902344 MB of memory in use. ENERGY: 3006600 770.4289 2152.7218 1929.9025 113.9520 -206094.7471 17586.4756 0.0000 0.0000 34367.5663 -149173.6999 300.1405 -183541.2662 -149077.3009 299.4551 -102.5777 -68.4316 558426.0716 -8.9527 -8.7179 PRESSURE: 3006800 -86.397 143.123 85.3549 143.123 -223.883 -148.923 85.3558 -148.924 45.7988 GPRESSURE: 3006800 -116.625 122.733 163.77 186.677 -133.391 -141.179 7.69209 -126.662 76.967 PRESSAVG: 3006800 26.5779 -6.51774 27.0997 -6.51772 -36.5144 -46.4195 27.0996 -46.4196 2.62876 GPRESSAVG: 3006800 25.9693 -7.21172 24.1389 -6.54765 -36.1074 -47.0665 29.409 -44.0885 2.87776 TIMING: 3006800 CPU: 8977.67, 0.00299515/step Wall: 8977.67, 0.00299515/step, 1.65831 hours remaining, 205.902344 MB of memory in use. ENERGY: 3006800 774.0016 2090.6542 1952.9398 115.1996 -206179.4223 17840.3684 0.0000 0.0000 34179.4041 -149226.8545 298.4972 -183406.2586 -149135.5671 299.3816 -88.1604 -57.6832 559807.5874 -2.4359 -2.4201 PRESSURE: 3007000 2.74845 48.8414 71.5555 48.8408 -54.3192 85.0554 71.5563 85.0563 -192.358 GPRESSURE: 3007000 -19.5183 45.3876 67.2739 -3.92429 -20.1396 19.6458 146.517 70.2361 -106.617 PRESSAVG: 3007000 35.7885 60.2351 2.40992 60.2351 -0.350021 -22.1578 2.41004 -22.1579 -2.65463 GPRESSAVG: 3007000 36.278 59.6251 3.25653 59.7432 0.145345 -20.8217 0.914517 -23.5215 -3.13004 TIMING: 3007000 CPU: 8978.28, 0.00302714/step Wall: 8978.28, 0.00302714/step, 1.67586 hours remaining, 205.902344 MB of memory in use. ENERGY: 3007000 759.5476 2076.8400 1916.5222 105.4055 -206078.5986 17859.3863 0.0000 0.0000 34143.8963 -149217.0007 298.1871 -183360.8970 -149118.2447 299.3908 -81.3095 -48.7583 559238.1846 10.9280 11.0978 PRESSURE: 3007200 -78.377 -132.956 146.656 -132.956 -283.896 1.87761 146.655 1.87629 -127.827 GPRESSURE: 3007200 -50.3355 -105.631 175.474 -47.5478 -189.349 47.0791 22.3417 -84.089 -142.563 PRESSAVG: 3007200 -9.38249 24.5229 7.7065 24.5229 -8.9876 44.7874 7.70653 44.7874 15.8111 GPRESSAVG: 3007200 -10.7804 25.4241 7.38458 22.6006 -7.65225 45.6751 7.75857 44.5409 15.7146 TIMING: 3007200 CPU: 8978.89, 0.00305204/step Wall: 8978.89, 0.00305204/step, 1.68947 hours remaining, 205.902344 MB of memory in use. ENERGY: 3007200 784.6141 2151.1630 1951.2094 115.8364 -206294.1010 17718.2601 0.0000 0.0000 34348.9498 -149224.0681 299.9779 -183573.0179 -149127.3879 299.6701 -163.3665 -127.4159 557191.4562 -0.8530 -0.9060 PRESSURE: 3007400 -17.8728 79.506 85.0777 79.5059 90.9409 -64.3839 85.0764 -64.3829 -42.5732 GPRESSURE: 3007400 25.7439 75.7212 98.5704 63.7361 103.983 -64.5721 127.503 7.49803 -1.38404 PRESSAVG: 3007400 3.80444 -0.998144 23.6694 -0.998112 9.2315 -10.8944 23.6694 -10.8945 -20.6074 GPRESSAVG: 3007400 5.07614 -1.31191 25.1298 0.701901 8.06159 -12.3025 22.539 -10.552 -20.6157 TIMING: 3007400 CPU: 8979.49, 0.0030303/step Wall: 8979.49, 0.0030303/step, 1.67727 hours remaining, 205.902344 MB of memory in use. ENERGY: 3007400 762.1748 2088.7974 1931.6485 107.5874 -206376.4418 17834.1036 0.0000 0.0000 34372.2072 -149279.9229 300.1810 -183652.1301 -149184.3025 299.3532 10.1650 42.7810 556663.2917 -2.5238 -2.4926 PRESSURE: 3007600 67.246 -111.171 152.088 -111.171 93.1756 4.96746 152.089 4.96675 -85.0983 GPRESSURE: 3007600 109.12 -79.5299 72.553 -122.821 98.6485 -7.42858 181.635 -59.0923 -32.0817 PRESSAVG: 3007600 4.48734 3.77315 34.9602 3.77315 -34.103 -55.9068 34.9602 -55.9069 13.9494 GPRESSAVG: 3007600 3.86232 3.03611 33.0455 3.6254 -34.092 -56.0998 35.8028 -54.7253 14.3175 TIMING: 3007600 CPU: 8980.1, 0.00302577/step Wall: 8980.1, 0.00302577/step, 1.67459 hours remaining, 205.902344 MB of memory in use. ENERGY: 3007600 785.7874 2090.5942 1936.7351 116.6560 -206872.5983 18238.1868 0.0000 0.0000 34299.8746 -149404.7643 299.5493 -183704.6389 -149317.5609 299.3440 25.1078 58.5624 557489.6807 -5.2221 -5.3041 PRESSURE: 3007800 -74.4554 80.7975 -41.6155 80.7973 -45.7867 -146.545 -41.6158 -146.546 -35.9408 GPRESSURE: 3007800 -57.3013 97.232 21.7356 109.994 -11.6593 -58.6124 -41.9218 -178.857 1.06519 PRESSAVG: 3007800 65.4603 2.0787 24.6809 2.07869 -11.245 -57.4203 24.6808 -57.4203 -39.8215 GPRESSAVG: 3007800 64.6686 3.61208 25.8029 0.86823 -10.7153 -53.8894 24.4892 -59.1197 -39.8285 TIMING: 3007800 CPU: 8980.7, 0.00300816/step Wall: 8980.7, 0.00300816/step, 1.66468 hours remaining, 205.902344 MB of memory in use. ENERGY: 3007800 786.0869 2134.5252 1957.6766 114.5907 -206630.3349 17983.7505 0.0000 0.0000 34289.7601 -149363.9449 299.4610 -183653.7050 -149263.2526 299.7000 -52.0610 -22.6318 556364.7660 4.7980 4.7083 PRESSURE: 3008000 18.7389 -11.5065 -5.08906 -11.5049 128.378 63.7075 -5.08941 63.7084 146.201 GPRESSURE: 3008000 43.7823 -15.3672 60.4221 -2.23 210.318 109.776 -73.6906 90.7405 145.662 PRESSAVG: 3008000 40.0207 -27.6035 -49.6957 -27.6034 -48.1314 -17.5216 -49.6957 -17.5216 -6.46517 GPRESSAVG: 3008000 40.7268 -28.2641 -49.1205 -26.2101 -48.1224 -20.0862 -49.1758 -16.1819 -6.65574 TIMING: 3008000 CPU: 8981.3, 0.00300501/step Wall: 8981.3, 0.00300501/step, 1.66277 hours remaining, 205.902344 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: 3008000 748.9566 2092.6031 1935.8950 118.1181 -206346.0683 17929.4057 0.0000 0.0000 34300.6585 -149220.4313 299.5562 -183521.0897 -149122.8555 299.2365 97.7727 133.2543 558801.3016 -4.8586 -4.6838 PRESSURE: 3008200 93.1507 88.6456 26.4377 88.6463 191.556 75.5222 26.4375 75.5221 23.777 GPRESSURE: 3008200 107.45 124.965 69.4058 115.594 206.524 113.635 23.9298 -3.75118 86.7452 PRESSAVG: 3008200 -73.0034 -0.902273 26.583 -0.902236 30.7323 -8.31202 26.583 -8.31195 45.4507 GPRESSAVG: 3008200 -72.4705 0.869535 25.859 -3.24205 30.5777 -9.32795 26.9661 -8.84194 44.9984 TIMING: 3008200 CPU: 8981.91, 0.0030218/step Wall: 8981.91, 0.0030218/step, 1.6719 hours remaining, 205.902344 MB of memory in use. ENERGY: 3008200 717.2732 2144.6911 1934.4370 112.8267 -205882.1089 17595.4344 0.0000 0.0000 34185.7706 -149191.6759 298.5528 -183377.4464 -149090.1292 299.3914 102.8278 133.5731 557185.9566 1.0599 1.0352 LDB: ============= START OF LOAD BALANCING ============== 8985.34 LDB: ============== END OF LOAD BALANCING =============== 8985.34 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8985.34 LDB: ============= START OF LOAD BALANCING ============== 8985.65 LDB: Largest compute 4821 load 0.030202 is 25.6% of average load 0.117977 LDB: Average compute 0.001734 is 1.5% of average load 0.117977 LDB: TIME 8985.65 LOAD: AVG 0.117977 MAX 0.212006 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.188 MB LDB: TIME 8985.65 LOAD: AVG 0.117977 MAX 0.212006 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.188 MB LDB: TIME 8985.65 LOAD: AVG 0.117977 MAX 0.212006 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8985.65 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8985.66 PRESSURE: 3008400 -187.332 -10.3976 -68.6373 -10.3976 -37.068 27.127 -68.637 27.129 -0.764602 GPRESSURE: 3008400 -161.949 45.3149 -113.867 -61.961 -20.6115 6.99017 29.3917 33.764 63.2678 PRESSAVG: 3008400 -3.9399 4.21597 -34.369 4.21597 0.151337 57.0324 -34.3689 57.0325 -10.6465 GPRESSAVG: 3008400 -4.51611 4.21189 -34.8013 4.80971 0.703177 57.6545 -34.1287 57.315 -10.3945 TIMING: 3008400 CPU: 8982.53, 0.00311357/step Wall: 8982.53, 0.00311357/step, 1.7225 hours remaining, 204.675781 MB of memory in use. ENERGY: 3008400 725.1332 2047.4571 1943.8502 114.6186 -206248.5318 17680.0828 0.0000 0.0000 34472.2495 -149265.1404 301.0547 -183737.3900 -149175.1399 298.5650 -75.0548 -39.7641 556382.3591 -4.8117 -4.7358 PRESSURE: 3008600 40.5484 89.9022 115.619 89.9023 135.991 102.271 115.62 102.271 102.106 GPRESSURE: 3008600 74.7533 108.074 117.536 39.9297 194.985 11.2857 117.43 50.8051 108.028 PRESSAVG: 3008600 -11.8861 22.3369 -5.05147 22.3369 -10.2045 9.72292 -5.05145 9.72294 55.2926 GPRESSAVG: 3008600 -11.4789 21.7245 -3.90591 21.2092 -10.3537 11.3145 -4.95759 8.05297 55.3125 TIMING: 3008600 CPU: 8983.13, 0.00302642/step Wall: 8983.13, 0.00302642/step, 1.67411 hours remaining, 204.675781 MB of memory in use. ENERGY: 3008600 782.2957 2124.5003 1939.8852 128.3516 -206479.2629 18029.3184 0.0000 0.0000 34395.8118 -149079.0999 300.3872 -183474.9117 -148977.4401 299.3260 92.8818 125.9222 556980.8802 11.0673 11.1599 PRESSURE: 3008800 22.8716 42.7931 -116.763 42.7935 -3.84844 77.6021 -116.763 77.6027 145.958 GPRESSURE: 3008800 52.3477 -26.2156 -136.28 106.205 41.1475 107.977 -126.676 7.32598 173.988 PRESSAVG: 3008800 -58.1063 -74.7977 56.5061 -74.7978 0.806826 35.9466 56.5061 35.9467 35.7226 GPRESSAVG: 3008800 -58.3153 -76.711 56.6689 -72.2943 -0.233468 36.186 55.8531 37.2254 36.5324 TIMING: 3008800 CPU: 8983.74, 0.00303104/step Wall: 8983.74, 0.00303104/step, 1.6765 hours remaining, 204.675781 MB of memory in use. ENERGY: 3008800 740.6622 2165.6794 1947.1153 113.9291 -206234.3311 17789.0157 0.0000 0.0000 34308.3534 -149169.5759 299.6234 -183477.9293 -149079.5134 299.0549 54.9936 89.1611 557462.7610 -7.1923 -7.3388 PRESSURE: 3009000 52.6047 160.974 -68.1165 160.974 -216.345 32.4727 -68.1175 32.4729 278.688 GPRESSURE: 3009000 80.5257 181.913 40.0043 99.3522 -134.237 59.8462 -125.102 23.9962 268.265 PRESSAVG: 3009000 6.82728 15.6202 -34.3558 15.6201 -32.1364 34.1616 -34.3558 34.1616 43.4917 GPRESSAVG: 3009000 6.31124 17.8503 -35.5908 15.0879 -31.3788 32.884 -34.4248 33.5833 42.7968 TIMING: 3009000 CPU: 8984.35, 0.00305615/step Wall: 8984.35, 0.00305615/step, 1.69022 hours remaining, 204.675781 MB of memory in use. ENERGY: 3009000 755.2034 2094.2682 1959.5852 114.2524 -206105.8281 17928.7002 0.0000 0.0000 34095.8038 -149158.0149 297.7671 -183253.8187 -149062.1947 299.1572 38.3160 71.5177 558100.7939 6.0609 5.9098 PRESSURE: 3009200 228.828 16.992 2.81435 16.9921 62.5533 60.2481 2.81613 60.2472 228.311 GPRESSURE: 3009200 282.438 38.8303 -44.5621 -16.4663 84.4282 50.0192 -17.8246 33.8145 249.774 PRESSAVG: 3009200 36.4022 -25.012 -2.12456 -25.012 -60.9238 -15.1522 -2.12453 -15.1521 41.6878 GPRESSAVG: 3009200 37.946 -27.6563 -2.6352 -22.8444 -60.917 -14.2311 -0.894171 -15.568 40.4194 TIMING: 3009200 CPU: 8984.96, 0.00304763/step Wall: 8984.96, 0.00304763/step, 1.68534 hours remaining, 204.675781 MB of memory in use. ENERGY: 3009200 749.4264 2190.1042 1983.5576 120.4955 -206053.5893 17984.5207 0.0000 0.0000 34160.6556 -148864.8292 298.3335 -183025.4849 -148765.2490 299.0365 173.2307 205.5468 557765.7322 5.7221 5.8161 PRESSURE: 3009400 -93.7324 -75.4044 -122.829 -75.4037 235.673 -97.8322 -122.829 -97.8311 -71.3359 GPRESSURE: 3009400 -90.0776 -65.9175 -170.658 -41.0887 312.515 -14.2872 -173.801 -59.9492 -60.4474 PRESSAVG: 3009400 -2.82871 15.9716 -17.995 15.9716 41.1131 3.68734 -17.9951 3.68732 -31.3363 GPRESSAVG: 3009400 -2.62629 18.517 -17.6665 13.5924 40.5958 2.56834 -17.7041 7.49666 -31.3176 TIMING: 3009400 CPU: 8985.57, 0.00305199/step Wall: 8985.57, 0.00305199/step, 1.68758 hours remaining, 204.675781 MB of memory in use. ENERGY: 3009400 752.9576 2120.4980 1941.2729 110.6840 -206336.5336 17935.5813 0.0000 0.0000 34316.8860 -149158.6538 299.6979 -183475.5398 -149071.9760 299.0847 23.5350 53.9967 558197.6569 2.3160 2.2173 PRESSURE: 3009600 151.514 93.7949 -97.993 93.7947 8.8831 -23.8079 -97.9948 -23.8077 150.476 GPRESSURE: 3009600 184.116 179.046 -135.87 40.4258 33.3804 -31.0202 -101.689 -17.6254 182.508 PRESSAVG: 3009600 -66.9069 8.81199 23.7338 8.81202 85.9687 30.8139 23.7337 30.8138 -16.942 GPRESSAVG: 3009600 -66.3302 8.0847 23.0561 10.158 85.7994 31.2708 22.5324 28.5869 -17.1934 TIMING: 3009600 CPU: 8986.18, 0.00303278/step Wall: 8986.18, 0.00303278/step, 1.67679 hours remaining, 204.675781 MB of memory in use. ENERGY: 3009600 735.7958 2092.0280 1916.5067 132.2188 -206456.9040 17989.5805 0.0000 0.0000 34369.1486 -149221.6256 300.1543 -183590.7743 -149122.8174 298.9389 103.6244 133.3349 555603.8970 0.7066 0.7586 PRESSURE: 3009800 -72.0892 -29.3733 -198.751 -29.3734 -53.8574 -58.1009 -198.75 -58.0999 -25.2206 GPRESSURE: 3009800 -65.6601 9.019 -146.202 -5.7303 45.9979 10.8743 -195.896 -61.6211 -37.1012 PRESSAVG: 3009800 -77.1035 -34.0881 -60.0822 -34.0881 89.4174 -46.8758 -60.0823 -46.8758 34.4228 GPRESSAVG: 3009800 -78.1338 -35.2348 -59.7824 -34.8396 89.3871 -46.7398 -58.9711 -46.9132 35.2931 TIMING: 3009800 CPU: 8986.78, 0.00301199/step Wall: 8986.78, 0.00301199/step, 1.66513 hours remaining, 204.675781 MB of memory in use. ENERGY: 3009800 772.2740 2145.8927 1915.9685 111.9636 -206074.5980 17699.1973 0.0000 0.0000 34214.8291 -149214.4729 298.8066 -183429.3020 -149121.1150 298.9979 -50.3891 -18.9211 557116.0459 15.5789 15.5155 PRESSURE: 3010000 -7.76463 23.1613 -82.1988 23.1609 33.775 -59.8097 -82.1984 -59.8095 -337.324 GPRESSURE: 3010000 1.08882 22.4045 -141.389 -7.51833 52.3025 -104.535 -71.4275 -41.0675 -267.908 PRESSAVG: 3010000 -71.1034 -34.0224 -101.294 -34.0224 83.3628 15.167 -101.294 15.167 -12.4608 GPRESSAVG: 3010000 -71.4329 -33.1862 -99.6799 -34.8318 83.5495 14.7059 -100.967 17.3496 -12.629 TIMING: 3010000 CPU: 8987.39, 0.0030316/step Wall: 8987.39, 0.0030316/step, 1.6758 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: 3010000 743.7336 2102.3815 1929.4628 111.9672 -205943.5814 17495.4412 0.0000 0.0000 34300.0142 -149260.5810 299.5506 -183560.5952 -149163.0371 299.6929 -103.7711 -71.5057 557575.4621 -0.0671 -0.1708 PRESSURE: 3010200 71.2058 11.9182 96.519 11.9179 -83.1454 -265.38 96.5204 -265.381 -73.5367 GPRESSURE: 3010200 90.5782 1.75463 160.831 -7.53213 -43.1307 -225.244 15.545 -341.67 -44.9701 PRESSAVG: 3010200 -17.6378 -5.31641 -0.719647 -5.31635 58.0141 24.6227 -0.719703 24.6227 -52.8164 GPRESSAVG: 3010200 -16.5683 -5.76482 -1.33632 -3.35168 57.2068 24.2204 -1.73175 20.994 -52.6999 TIMING: 3010200 CPU: 8987.99, 0.00301803/step Wall: 8987.99, 0.00301803/step, 1.66813 hours remaining, 204.675781 MB of memory in use. ENERGY: 3010200 737.4066 2097.1458 1936.4290 118.2184 -205860.6494 17602.8805 0.0000 0.0000 34098.3286 -149270.2406 297.7892 -183368.5693 -149171.3087 298.9578 -28.4921 0.8258 556633.3513 -4.1467 -4.0205 PRESSURE: 3010400 -205.356 -43.1008 19.7826 -43.1011 -164.522 -31.2866 19.782 -31.286 -87.1899 GPRESSURE: 3010400 -191.045 -13.4891 30.6091 -13.6489 -218.764 -85.6526 25.8032 -58.0784 53.1443 PRESSAVG: 3010400 -48.0506 27.0682 -2.80793 27.0682 -4.95722 22.1955 -2.80801 22.1957 103.496 GPRESSAVG: 3010400 -48.786 27.1284 -3.71678 24.1992 -4.44312 22.9132 -4.10418 22.7402 103.239 TIMING: 3010400 CPU: 8988.6, 0.00302951/step Wall: 8988.6, 0.00302951/step, 1.67431 hours remaining, 204.675781 MB of memory in use. ENERGY: 3010400 746.4007 2166.0470 1922.9183 123.3198 -206135.3180 17627.2297 0.0000 0.0000 34334.9374 -149214.4651 299.8555 -183549.4026 -149119.0769 299.4484 -152.3562 -118.8883 557453.5000 16.8292 16.6698 PRESSURE: 3010600 128.877 -72.4403 -31.2147 -72.4397 29.6529 -44.6302 -31.2143 -44.6327 320.184 GPRESSURE: 3010600 71.6418 20.8498 18.7228 -180.699 100.522 -125.991 -88.1947 -27.6247 409.725 PRESSAVG: 3010600 -0.238248 -23.3673 45.1129 -23.3673 2.26571 33.8946 45.1129 33.8946 43.7335 GPRESSAVG: 3010600 -1.26424 -23.5724 45.398 -22.8915 1.4398 32.4621 47.5562 34.9972 45.8224 TIMING: 3010600 CPU: 8989.2, 0.00302363/step Wall: 8989.2, 0.00302363/step, 1.67089 hours remaining, 204.675781 MB of memory in use. ENERGY: 3010600 736.9768 2190.6053 1934.8937 114.6794 -206189.2706 17823.6826 0.0000 0.0000 34373.6048 -149014.8280 300.1932 -183388.4327 -148923.7592 299.1449 159.5711 193.9630 555701.2644 15.2536 15.3326 PRESSURE: 3010800 148.744 32.5139 -24.1417 32.513 -174.335 36.9307 -24.1419 36.9289 -205.876 GPRESSURE: 3010800 114.36 79.5263 68.8635 -7.93166 -92.3781 61.4687 -53.77 34.3333 -152.95 PRESSAVG: 3010800 22.4795 24.3328 11.4136 24.3328 -57.1026 27.7722 11.4136 27.7722 27.2609 GPRESSAVG: 3010800 23.551 24.4673 12.1026 25.7895 -56.287 29.0177 10.306 25.1356 24.8969 TIMING: 3010800 CPU: 8989.8, 0.00302036/step Wall: 8989.8, 0.00302036/step, 1.66891 hours remaining, 204.675781 MB of memory in use. ENERGY: 3010800 790.4759 2112.6289 1940.0425 122.1459 -205811.5325 17528.3188 0.0000 0.0000 34282.3765 -149035.5441 299.3965 -183317.9206 -148942.5576 300.0068 -77.1556 -43.6561 557561.6629 -2.4541 -2.6131 PRESSURE: 3011000 -357.356 39.2932 1.76029 39.2939 -159.413 -76.6514 1.7611 -76.6512 -119.651 GPRESSURE: 3011000 -300.961 154.813 -136.844 -8.10143 -159.266 -15.7281 77.4208 -88.5157 -62.0142 PRESSAVG: 3011000 22.4841 15.777 -41.9196 15.7768 -4.36951 27.7803 -41.9196 27.7803 5.43704 GPRESSAVG: 3011000 22.109 15.244 -43.1243 15.9075 -4.0118 28.4839 -41.1615 28.9112 5.18568 TIMING: 3011000 CPU: 8990.41, 0.00303545/step Wall: 8990.41, 0.00303545/step, 1.67709 hours remaining, 204.675781 MB of memory in use. ENERGY: 3011000 776.1915 2099.8431 1947.3498 116.9271 -205895.6896 17473.9615 0.0000 0.0000 34566.0562 -148915.3605 301.8740 -183481.4167 -148808.4053 300.9059 -212.1401 -174.0803 558494.4160 7.8505 7.7610 PRESSURE: 3011200 148.664 0.201472 -1.03121 0.201561 -183.57 33.4892 -1.03132 33.4905 -111.041 GPRESSURE: 3011200 143.649 27.4669 26.7866 -78.9225 -157.827 72.4381 -52.0395 75.7785 -47.41 PRESSAVG: 3011200 11.6297 -32.8733 50.8208 -32.8733 -7.89474 41.1454 50.8208 41.1455 7.25459 GPRESSAVG: 3011200 11.9528 -32.8255 49.3615 -32.8545 -7.70163 40.4298 51.1359 43.4765 6.58362 TIMING: 3011200 CPU: 8991.02, 0.0030352/step Wall: 8991.02, 0.0030352/step, 1.67678 hours remaining, 204.675781 MB of memory in use. ENERGY: 3011200 731.0121 2140.2782 1939.7203 129.7490 -206166.7087 17788.2270 0.0000 0.0000 34352.1542 -149085.5680 300.0059 -183437.7221 -148998.4554 300.7209 -48.6490 -20.5294 557489.5322 3.6632 3.6116 PRESSURE: 3011400 -127.666 -110.679 103.826 -110.678 114.255 3.1832 103.826 3.18404 -301.73 GPRESSURE: 3011400 -127.602 -150.261 229.227 -136.075 173.151 -86.5136 49.7338 51.1838 -256.501 PRESSAVG: 3011400 10.5501 -49.575 78.1761 -49.5751 20.7933 -4.42337 78.1761 -4.42342 8.98109 GPRESSAVG: 3011400 9.90002 -48.0603 80.6903 -50.4496 19.8481 -6.5964 76.5889 -3.73652 10.707 TIMING: 3011400 CPU: 8991.62, 0.00302483/step Wall: 8991.62, 0.00302483/step, 1.67088 hours remaining, 204.675781 MB of memory in use. ENERGY: 3011400 750.3732 2126.5527 1920.4147 112.5211 -205951.9246 17761.8863 0.0000 0.0000 34199.9790 -149080.1976 298.6769 -183280.1766 -148984.3308 300.0157 -105.0468 -70.3173 558670.2964 13.4415 13.4850 PRESSURE: 3011600 108.784 -4.44599 213.353 -4.4461 170.908 -111.996 213.354 -111.997 83.2748 GPRESSURE: 3011600 222.459 5.17384 108.434 -29.1547 143.757 -86.4181 186.819 -226.438 77.8024 PRESSAVG: 3011600 11.9838 -49.5957 44.6239 -49.5957 -30.2545 -104.656 44.6239 -104.655 -0.145835 GPRESSAVG: 3011600 13.5698 -51.8547 43.2764 -48.8722 -29.7431 -102.564 43.9708 -107.864 -2.00608 TIMING: 3011600 CPU: 8992.23, 0.00303456/step Wall: 8992.23, 0.00303456/step, 1.67609 hours remaining, 204.675781 MB of memory in use. ENERGY: 3011600 749.1399 2123.1524 1938.0229 118.5841 -206808.8814 18229.5705 0.0000 0.0000 34433.0208 -149217.3908 300.7121 -183650.4116 -149122.5951 299.2347 120.9891 148.0060 557577.1063 -6.1389 -6.0598 PRESSURE: 3011800 -250.131 20.5031 28.5805 20.5035 -363.619 -136.113 28.5814 -136.114 -243.584 GPRESSURE: 3011800 -198.402 43.0571 26.4538 84.3168 -319.51 -84.0163 69.3968 -76.8514 -227.748 PRESSAVG: 3011800 8.67106 -45.2063 10.6722 -45.2063 -19.8835 -41.925 10.6721 -41.9249 -11.8699 GPRESSAVG: 3011800 7.96162 -43.3477 10.9713 -45.599 -19.191 -43.3511 11.8538 -38.6616 -11.1816 TIMING: 3011800 CPU: 8992.84, 0.00302489/step Wall: 8992.84, 0.00302489/step, 1.67058 hours remaining, 204.675781 MB of memory in use. ENERGY: 3011800 772.2247 2112.4061 1917.1674 117.6574 -205525.9573 17324.7110 0.0000 0.0000 34067.7943 -149213.9964 297.5225 -183281.7907 -149122.6616 298.9569 -285.7780 -248.5533 558982.6647 -7.6941 -7.4703 PRESSURE: 3012000 57.9185 -54.2989 -33.1528 -54.2995 -147.281 28.4122 -33.1529 28.4123 -185.214 GPRESSURE: 3012000 95.7713 -17.6466 13.7822 -53.9735 -133.326 102.977 5.10883 -18.7605 -132.915 PRESSAVG: 3012000 -49.1202 -25.2976 37.2103 -25.2975 24.0228 1.02977 37.2103 1.02964 6.02794 GPRESSAVG: 3012000 -48.9481 -25.8241 39.7213 -24.8185 22.5761 4.2583 36.266 -1.87634 6.9974 TIMING: 3012000 CPU: 8993.44, 0.00302986/step Wall: 8993.44, 0.00302986/step, 1.67315 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: 3012000 719.9194 2090.4223 1964.9936 103.2484 -205970.1412 17548.7562 0.0000 0.0000 34285.5217 -149257.2795 299.4240 -183542.8012 -149155.8235 299.2790 -91.5257 -56.8231 558338.5512 -6.3565 -6.4582 PRESSURE: 3012200 150.226 -38.6257 79.7485 -38.6258 -32.8006 -1.24118 79.7474 -1.24118 -68.0793 GPRESSURE: 3012200 171.148 -58.5304 -50.47 -13.4071 -38.6942 -3.47605 122.352 -9.71535 9.75488 PRESSAVG: 3012200 -1.33554 0.672403 1.2813 0.672505 -49.1082 -49.7032 1.28134 -49.7031 29.5712 GPRESSAVG: 3012200 -1.64115 1.44187 -2.57204 1.63861 -48.8168 -50.8983 4.24049 -48.8542 29.581 TIMING: 3012200 CPU: 8994.05, 0.00303873/step Wall: 8994.05, 0.00303873/step, 1.67789 hours remaining, 204.675781 MB of memory in use. ENERGY: 3012200 741.7523 2048.9195 1946.3903 113.1299 -206110.7146 17858.8410 0.0000 0.0000 34070.5286 -149331.1530 297.5464 -183401.6816 -149236.2139 298.3143 16.4488 47.4029 556804.0804 -6.9575 -6.9590 LDB: ============= START OF LOAD BALANCING ============== 8997.48 LDB: ============== END OF LOAD BALANCING =============== 8997.48 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8997.48 LDB: ============= START OF LOAD BALANCING ============== 8997.79 LDB: Largest compute 4821 load 0.029894 is 25.3% of average load 0.117996 LDB: Average compute 0.001746 is 1.5% of average load 0.117996 LDB: TIME 8997.79 LOAD: AVG 0.117996 MAX 0.208053 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.723 MB LDB: TIME 8997.79 LOAD: AVG 0.117996 MAX 0.208053 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.926 MB LDB: TIME 8997.79 LOAD: AVG 0.117996 MAX 0.208053 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.926 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 8997.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 8997.8 PRESSURE: 3012400 -201.562 61.9688 -11.7101 61.9672 214.55 86.7635 -11.7111 86.7636 -345.468 GPRESSURE: 3012400 -129.096 13.162 -23.0908 89.2752 200.361 45.5162 17.2088 -19.9511 -295.908 PRESSAVG: 3012400 59.1348 -22.1859 17.2939 -22.1859 40.0941 13.8643 17.2939 13.8645 -94.9409 GPRESSAVG: 3012400 58.4819 -24.4366 20.6751 -24.1477 40.2876 12.8147 14.2201 14.5767 -93.8483 TIMING: 3012400 CPU: 8994.67, 0.00309432/step Wall: 8994.67, 0.00309432/step, 1.70841 hours remaining, 207.171875 MB of memory in use. ENERGY: 3012400 723.0682 2171.1521 1960.7684 120.6070 -206234.2620 17677.3584 0.0000 0.0000 34332.6494 -149248.6585 299.8356 -183581.3079 -149147.7199 298.9688 -110.8264 -74.8811 557129.5695 1.4293 1.6404 PRESSURE: 3012600 -135.241 68.106 88.5228 68.1048 -195.255 79.5764 88.5229 79.5757 -303.663 GPRESSURE: 3012600 -116.624 172.819 69.2949 83.2922 -202.35 84.1894 184.243 157.573 -213.507 PRESSAVG: 3012600 -10.0002 -0.556149 -35.4436 -0.556104 26.3971 27.1498 -35.4435 27.1499 -42.9875 GPRESSAVG: 3012600 -8.90546 0.095187 -35.1793 2.16882 26.7347 27.882 -34.2165 26.3921 -44.4554 TIMING: 3012600 CPU: 8995.28, 0.00303553/step Wall: 8995.28, 0.00303553/step, 1.67578 hours remaining, 207.171875 MB of memory in use. ENERGY: 3012600 776.5260 2051.6632 1914.2167 115.1854 -206050.6211 17685.6409 0.0000 0.0000 34338.0778 -149169.3112 299.8830 -183507.3890 -149078.2971 299.4841 -211.3862 -177.4937 559377.9401 -8.8635 -8.8754 PRESSURE: 3012800 -88.964 -168.703 50.7665 -168.703 5.46973 61.7652 50.7665 61.7644 -17.5416 GPRESSURE: 3012800 -86.0963 -121.563 142.23 -179.815 45.5666 50.8281 53.5524 30.5752 42.2631 PRESSAVG: 3012800 31.5223 30.0167 29.2098 30.0167 26.9985 20.0364 29.2099 20.0365 -40.8076 GPRESSAVG: 3012800 31.005 32.283 26.0009 26.6388 26.7124 20.3373 31.7704 21.6743 -40.5041 TIMING: 3012800 CPU: 8995.89, 0.00304817/step Wall: 8995.89, 0.00304817/step, 1.68259 hours remaining, 207.171875 MB of memory in use. ENERGY: 3012800 752.8210 2110.1898 1924.2540 120.3414 -206164.6205 17748.3877 0.0000 0.0000 34389.6840 -149118.9426 300.3337 -183508.6265 -149017.4056 299.2563 -33.6786 0.5778 556858.8908 5.9044 5.7378 PRESSURE: 3013000 -240.204 38.0269 137.345 38.0272 -33.6934 20.6682 137.345 20.6699 8.6573 GPRESSURE: 3013000 -230.193 52.037 109 84.233 38.4098 92.6411 173.77 -114.847 26.9387 PRESSAVG: 3013000 -8.54535 -11.6424 63.3144 -11.6423 44.5933 -2.84937 63.3145 -2.8492 -30.3682 GPRESSAVG: 3013000 -8.8789 -13.1865 63.1953 -10.4302 45.3068 -4.52257 61.2875 -2.15289 -29.7824 TIMING: 3013000 CPU: 8996.49, 0.00303534/step Wall: 8996.49, 0.00303534/step, 1.67534 hours remaining, 207.171875 MB of memory in use. ENERGY: 3013000 737.6914 2106.4908 1924.4321 115.1723 -206077.0699 17663.3328 0.0000 0.0000 34307.6233 -149222.3272 299.6170 -183529.9505 -149117.8064 299.1960 -88.4135 -54.9481 557352.6739 1.8932 2.2152 PRESSURE: 3013200 -45.0553 21.2246 -24.3757 21.2243 -134.506 -0.731435 -24.3754 -0.733039 47.0896 GPRESSURE: 3013200 -30.3312 6.01831 -114.595 27.4937 -115.784 -49.7598 21.483 56.2373 117.207 PRESSAVG: 3013200 19.1167 25.8622 19.7402 25.8622 -50.7869 -61.3527 19.7402 -61.3528 24.276 GPRESSAVG: 3013200 19.2972 27.7774 21.1515 25.4643 -50.6514 -61.1855 21.1611 -61.9725 23.5683 TIMING: 3013200 CPU: 8997.1, 0.00304649/step Wall: 8997.1, 0.00304649/step, 1.68132 hours remaining, 207.171875 MB of memory in use. ENERGY: 3013200 763.9547 2106.2054 1916.2665 115.2475 -205894.4813 17794.3975 0.0000 0.0000 34025.2211 -149173.1887 297.1507 -183198.4098 -149072.4806 298.5890 -44.1573 -9.6360 557099.6696 -2.4647 -2.5953 PRESSURE: 3013400 22.3278 14.5544 -183.643 14.5557 138.133 -78.4251 -183.643 -78.4242 -118.349 GPRESSURE: 3013400 18.79 -113.531 -142.37 117.72 185.599 2.41141 -126.353 -112.211 -66.2023 PRESSAVG: 3013400 51.1444 12.3172 -1.77816 12.3172 -48.9389 -73.8696 -1.77813 -73.8696 3.18767 GPRESSAVG: 3013400 50.5207 10.359 -0.328934 11.7612 -49.2875 -72.1479 -5.22033 -74.1437 3.9056 TIMING: 3013400 CPU: 8997.72, 0.0031114/step Wall: 8997.72, 0.0031114/step, 1.71697 hours remaining, 207.171875 MB of memory in use. ENERGY: 3013400 750.1423 2093.5481 1920.1133 119.4675 -205821.7018 17548.4725 0.0000 0.0000 34163.9468 -149226.0112 298.3622 -183389.9581 -149128.3694 298.4463 14.0373 46.0622 556041.4857 1.7977 1.7129 PRESSURE: 3013600 -75.288 80.0909 190.54 80.0917 95.5854 18.1999 190.54 18.202 188.477 GPRESSURE: 3013600 -31.383 167.464 214.256 7.08256 143.415 -5.95994 107.491 5.27265 178.738 PRESSAVG: 3013600 29.8124 64.9364 -24.7323 64.9364 -11.2414 12.9459 -24.7323 12.946 24.1275 GPRESSAVG: 3013600 30.1094 64.9982 -25.2221 66.3088 -11.3708 12.2947 -23.6358 11.8058 24.0197 TIMING: 3013600 CPU: 8998.34, 0.00306255/step Wall: 8998.34, 0.00306255/step, 1.68985 hours remaining, 207.171875 MB of memory in use. ENERGY: 3013600 732.0245 2047.1590 1956.1145 117.1175 -206329.6583 17829.9532 0.0000 0.0000 34232.2862 -149415.0033 298.9591 -183647.2895 -149313.5507 298.5291 69.5916 96.9233 557242.0881 14.2328 14.2528 PRESSURE: 3013800 -46.9823 -57.005 -17.8621 -57.0044 -81.7056 4.89609 -17.8612 4.89745 239.752 GPRESSURE: 3013800 -18.8483 34.4368 13.7873 -19.7647 -59.4813 -50.3212 -137.887 -39.0393 290.069 PRESSAVG: 3013800 -54.4512 -9.82618 -3.66189 -9.82617 -44.2533 23.2896 -3.6619 23.2895 58.1238 GPRESSAVG: 3013800 -54.2666 -11.5282 -5.31449 -9.37571 -45.0448 21.5154 -3.90696 24.7378 58.3955 TIMING: 3013800 CPU: 8998.94, 0.00302322/step Wall: 8998.94, 0.00302322/step, 1.66798 hours remaining, 207.171875 MB of memory in use. ENERGY: 3013800 733.2139 2119.3527 1952.9136 111.3450 -206498.6206 17956.4224 0.0000 0.0000 34362.6561 -149262.7168 300.0976 -183625.3729 -149169.0638 298.5507 37.0214 70.5798 557720.4758 -13.5269 -13.6386 PRESSURE: 3014000 33.0541 246.861 -110.233 246.861 40.2677 -148.964 -110.233 -148.963 21.645 GPRESSURE: 3014000 101.049 271.697 -139.151 232.478 32.8137 -144.711 15.4661 -136.693 45.0523 PRESSAVG: 3014000 -51.0461 29.5181 -24.7106 29.5181 -60.6327 -15.4186 -24.7107 -15.4187 98.7268 GPRESSAVG: 3014000 -50.8376 32.2156 -24.924 26.672 -60.0394 -13.7229 -24.8451 -16.4068 98.1614 TIMING: 3014000 CPU: 8999.55, 0.00303408/step Wall: 8999.55, 0.00303408/step, 1.6738 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: 3014000 749.0436 2122.2690 1955.1911 122.5373 -206183.9632 17731.1651 0.0000 0.0000 34151.2494 -149352.5077 298.2514 -183503.7571 -149265.3379 299.2891 31.6556 59.6384 557912.8512 -4.3173 -4.2385 PRESSURE: 3014200 -47.7824 57.6979 91.3246 57.6979 -105.342 -16.6604 91.3254 -16.6609 -228.142 GPRESSURE: 3014200 -31.3274 76.0326 68.3574 -12.1928 -88.0344 3.30059 181.383 -87.635 -147.269 PRESSAVG: 3014200 -88.0783 81.7284 21.7788 81.7284 12.4155 -22.0355 21.7786 -22.0355 77.1185 GPRESSAVG: 3014200 -87.4914 80.8702 22.0205 83.853 11.2671 -22.3014 23.2454 -23.709 77.5371 TIMING: 3014200 CPU: 9000.16, 0.00305331/step Wall: 9000.16, 0.00305331/step, 1.68424 hours remaining, 207.171875 MB of memory in use. ENERGY: 3014200 735.5739 2079.3511 1931.0913 121.7208 -206183.3177 17574.4413 0.0000 0.0000 34348.4804 -149392.6590 299.9738 -183741.1394 -149304.0090 298.7054 -127.0888 -88.8769 557409.2792 0.4852 0.4376 PRESSURE: 3014400 39.7105 45.8104 -40.739 45.8115 109.841 -88.7664 -40.7388 -88.7665 169.426 GPRESSURE: 3014400 70.0816 32.2859 21.5951 39.4559 221.025 -160.138 -57.5544 -7.86444 128.434 PRESSAVG: 3014400 -54.8802 23.5188 68.8631 23.5188 92.4179 48.2768 68.863 48.2769 -14.0993 GPRESSAVG: 3014400 -55.5998 22.9028 69.3128 22.64 92.6005 49.7716 68.4755 48.4261 -13.631 TIMING: 3014400 CPU: 9000.77, 0.00304988/step Wall: 9000.77, 0.00304988/step, 1.68218 hours remaining, 207.171875 MB of memory in use. ENERGY: 3014400 785.5588 2098.4767 1900.5393 107.5635 -206385.2451 18112.4398 0.0000 0.0000 34264.3918 -149116.2752 299.2395 -183380.6671 -149019.2192 299.6608 106.3256 139.8468 557597.0641 7.8128 7.7899 PRESSURE: 3014600 -48.9175 -153.941 -107.32 -153.94 -137.852 113.344 -107.321 113.344 -55.7419 GPRESSURE: 3014600 7.52329 -22.9738 -74.5871 -202.21 -130.45 179.816 -105.642 23.8823 -20.2099 PRESSAVG: 3014600 21.7236 4.47594 0.177292 4.47605 34.9096 -51.9859 0.177212 -51.9858 -31.2485 GPRESSAVG: 3014600 22.2872 5.36808 1.81485 5.0533 35.8378 -53.7283 -0.513754 -50.9101 -32.6977 TIMING: 3014600 CPU: 9001.38, 0.00304708/step Wall: 9001.38, 0.00304708/step, 1.68046 hours remaining, 207.171875 MB of memory in use. ENERGY: 3014600 736.6448 2080.4227 1904.1144 110.2692 -206017.2352 17653.5613 0.0000 0.0000 34231.1190 -149301.1039 298.9489 -183532.2229 -149202.0058 299.2617 -80.8372 -47.7120 557696.7826 8.4616 8.4758 PRESSURE: 3014800 -248.535 -83.7986 -42.9151 -83.7972 14.7531 -6.61916 -42.9153 -6.61737 -183.488 GPRESSURE: 3014800 -208.127 -52.1248 11.2653 -119.024 51.6274 -17.059 -112.994 -102.899 -176.606 PRESSAVG: 3014800 17.4747 -1.96036 9.24119 -1.96026 7.10632 -20.2808 9.24113 -20.2808 2.90527 GPRESSAVG: 3014800 17.0901 0.210282 8.74635 -4.08954 6.55293 -21.7793 8.98466 -19.4779 3.61952 TIMING: 3014800 CPU: 9001.98, 0.00302197/step Wall: 9001.98, 0.00302197/step, 1.66645 hours remaining, 207.171875 MB of memory in use. ENERGY: 3014800 750.9353 2094.3232 1954.6489 122.7652 -206295.3543 17727.3330 0.0000 0.0000 34351.0009 -149294.3477 299.9958 -183645.3486 -149200.1554 298.9904 -139.0899 -111.0351 557767.0399 9.1621 9.0875 PRESSURE: 3015000 -102.867 22.5936 -82.6799 22.5945 -272.075 159.405 -82.6806 159.404 -433.259 GPRESSURE: 3015000 -46.7694 -6.43555 -103.801 81.0047 -268.235 154.911 -82.1515 131.892 -390.707 PRESSAVG: 3015000 48.0738 -60.1583 -13.4443 -60.1582 60.9348 -65.9661 -13.4443 -65.966 -88.1061 GPRESSAVG: 3015000 48.4959 -62.3356 -13.4602 -58.7449 62.1763 -63.8139 -11.9116 -66.5977 -89.7965 TIMING: 3015000 CPU: 9002.59, 0.00301662/step Wall: 9002.59, 0.00301662/step, 1.66333 hours remaining, 207.171875 MB of memory in use. ENERGY: 3015000 749.1191 2109.8253 1956.6813 116.3093 -205799.6216 17403.4052 0.0000 0.0000 34131.1790 -149333.1024 298.0761 -183464.2814 -149239.5857 299.4185 -269.4003 -235.2373 558706.6614 6.9675 6.9586 PRESSURE: 3015200 -155.588 33.4607 -167.596 33.4602 -198.154 -78.7297 -167.594 -78.7299 146.734 GPRESSURE: 3015200 -107.815 45.2142 -127.102 -3.78679 -201.665 -54.6041 -176.839 -39.3039 201.942 PRESSAVG: 3015200 10.137 -19.2695 -10.0546 -19.2695 0.859297 -16.3065 -10.0547 -16.3065 4.61237 GPRESSAVG: 3015200 11.0382 -18.2042 -10.3573 -19.5671 -0.988069 -16.0565 -9.90395 -15.9516 5.63968 TIMING: 3015200 CPU: 9003.18, 0.00299388/step Wall: 9003.18, 0.00299388/step, 1.65063 hours remaining, 207.171875 MB of memory in use. ENERGY: 3015200 726.9249 2099.8142 1924.2868 110.7914 -206232.4987 17694.7621 0.0000 0.0000 34199.2742 -149476.6450 298.6708 -183675.9192 -149378.5498 298.7592 -69.0024 -35.8457 557968.7650 5.2029 5.2299 PRESSURE: 3015400 -124.832 -13.7686 71.291 -13.7681 -352.307 -6.24981 71.2919 -6.24895 -194.149 GPRESSURE: 3015400 -125.078 28.4564 64.0178 -60.8148 -321.78 38.4951 127.778 -77.8033 -131.91 PRESSAVG: 3015400 -13.9778 7.64062 21.048 7.64052 -21.7297 -33.8113 21.0478 -33.8114 40.5811 GPRESSAVG: 3015400 -15.9942 7.08898 20.9717 6.66157 -20.4262 -31.6672 21.1361 -34.8317 41.1567 TIMING: 3015400 CPU: 9003.79, 0.00301992/step Wall: 9003.79, 0.00301992/step, 1.66482 hours remaining, 207.171875 MB of memory in use. ENERGY: 3015400 733.8968 2135.5556 1946.7579 110.5275 -205981.4083 17532.0846 0.0000 0.0000 34186.3999 -149336.1859 298.5583 -183522.5858 -149245.6920 298.6231 -223.7626 -192.9228 558235.5463 1.6245 1.5788 PRESSURE: 3015600 -83.3118 -45.8057 60.6841 -45.8063 137.754 38.8358 60.6841 38.8355 -9.40045 GPRESSURE: 3015600 -56.7248 85.6247 65.421 -77.0957 231.73 55.821 104.005 38.6224 -24.2083 PRESSAVG: 3015600 41.273 -49.1788 44.4918 -49.1788 -88.5173 -45.4211 44.4918 -45.421 58.1259 GPRESSAVG: 3015600 41.4489 -48.8271 43.0718 -47.3968 -88.9925 -46.9267 43.4049 -46.3415 57.8978 TIMING: 3015600 CPU: 9004.4, 0.00304275/step Wall: 9004.4, 0.00304275/step, 1.67723 hours remaining, 207.171875 MB of memory in use. ENERGY: 3015600 769.1136 2089.7668 1913.1743 108.2266 -205978.7581 17770.5259 0.0000 0.0000 34141.5812 -149186.3697 298.1669 -183327.9509 -149077.1099 298.9979 15.0138 50.2656 557742.0519 3.6272 3.4514 PRESSURE: 3015800 -41.6549 56.133 28.2062 56.1328 -244.776 7.83365 28.2072 7.83323 428.48 GPRESSURE: 3015800 49.5423 89.5721 11.0007 49.3549 -196.949 36.0909 -6.80312 38.7543 393.302 PRESSAVG: 3015800 -46.9861 -10.5956 -10.1339 -10.5957 10.1872 -38.2202 -10.1339 -38.2202 41.8429 GPRESSAVG: 3015800 -46.6568 -12.6482 -8.14519 -9.87971 10.2791 -40.1409 -10.7252 -34.672 41.4108 TIMING: 3015800 CPU: 9005, 0.00301448/step Wall: 9005, 0.00301448/step, 1.66148 hours remaining, 207.171875 MB of memory in use. ENERGY: 3015800 733.1100 2070.7278 1925.1444 97.8550 -205991.1284 17816.8072 0.0000 0.0000 34303.5625 -149043.9214 299.5815 -183347.4839 -148942.4672 299.5620 47.3495 81.9650 556816.8354 1.6813 1.6777 PRESSURE: 3016000 174.664 -91.2441 -142.361 -91.2438 147.339 -165.032 -142.363 -165.032 63.3005 GPRESSURE: 3016000 246.13 -56.9495 -115.339 -100.923 173.774 -47.5248 -188.21 -162.781 50.0854 PRESSAVG: 3016000 1.14518 -2.94668 -42.729 -2.94666 -60.3818 39.6185 -42.729 39.6185 -5.1276 GPRESSAVG: 3016000 0.709673 -3.41441 -42.0881 -2.63569 -59.2108 40.4334 -43.8337 37.9956 -5.79518 TIMING: 3016000 CPU: 9005.6, 0.00300158/step Wall: 9005.6, 0.00300158/step, 1.6542 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: 3016000 763.8732 2153.0448 1926.2244 106.0426 -206157.8224 17932.4545 0.0000 0.0000 34431.0176 -148845.1652 300.6946 -183276.1828 -148750.0030 299.9794 128.4346 156.6632 557337.0987 -21.4548 -21.4321 PRESSURE: 3016200 -172.494 -59.853 48.8976 -59.8544 17.5636 -30.784 48.8969 -30.7838 -292.648 GPRESSURE: 3016200 -126.103 -25.351 91.4632 -186.799 53.4032 -45.8255 57.4854 -121.695 -270.813 PRESSAVG: 3016200 -14.5394 -30.2358 -2.68464 -30.2359 0.578553 -22.8996 -2.68459 -22.8997 -12.5142 GPRESSAVG: 3016200 -13.8392 -28.5459 -4.38657 -31.8731 -1.15848 -21.7576 -1.21688 -23.9823 -11.4491 TIMING: 3016200 CPU: 9006.21, 0.00303971/step Wall: 9006.21, 0.00303971/step, 1.67505 hours remaining, 207.171875 MB of memory in use. ENERGY: 3016200 754.0486 2104.3206 1964.4693 116.4700 -205653.7443 17383.8766 0.0000 0.0000 34269.8299 -149060.7292 299.2869 -183330.5591 -148964.2946 299.9904 -149.1928 -114.5043 557544.5912 -8.8250 -8.8156 LDB: ============= START OF LOAD BALANCING ============== 9009.64 LDB: ============== END OF LOAD BALANCING =============== 9009.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9009.64 LDB: ============= START OF LOAD BALANCING ============== 9009.94 LDB: Largest compute 4820 load 0.029276 is 24.8% of average load 0.118027 LDB: Average compute 0.001735 is 1.5% of average load 0.118027 LDB: TIME 9009.95 LOAD: AVG 0.118027 MAX 0.208757 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.949 MB LDB: TIME 9009.95 LOAD: AVG 0.118027 MAX 0.208757 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.023 MB LDB: TIME 9009.95 LOAD: AVG 0.118027 MAX 0.208757 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.023 MB LDB: ============== END OF LOAD BALANCING =============== 9009.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9009.95 PRESSURE: 3016400 42.2817 15.9295 -20.1608 15.9287 -263.322 -258.341 -20.1593 -258.342 -102.679 GPRESSURE: 3016400 88.9083 42.0315 -23.7205 18.7045 -220.034 -224.552 -11.3611 -249.58 -96.3403 PRESSAVG: 3016400 86.912 12.7015 -26.188 12.7015 0.0225099 -57.5865 -26.1879 -57.5866 -104.557 GPRESSAVG: 3016400 87.0269 11.9426 -24.3095 13.2752 0.218121 -58.3697 -25.7507 -55.8185 -105.028 TIMING: 3016400 CPU: 9006.82, 0.00307657/step Wall: 9006.82, 0.00307657/step, 1.69519 hours remaining, 206.257812 MB of memory in use. ENERGY: 3016400 765.0205 2111.6143 1961.4211 119.0220 -206163.9186 17746.8289 0.0000 0.0000 34242.1729 -149217.8388 299.0454 -183460.0117 -149130.9513 299.4577 -107.9062 -75.8220 557675.6952 -5.8741 -5.9276 PRESSURE: 3016600 120.741 132.396 43.1379 132.395 67.5158 7.2055 43.1376 7.20598 147.608 GPRESSURE: 3016600 152.518 273.981 53.5931 120.272 125.657 -30.035 70.218 29.4776 143.204 PRESSAVG: 3016600 24.2567 24.4797 33.3729 24.4796 36.1257 -25.5764 33.373 -25.5763 -16.786 GPRESSAVG: 3016600 24.2987 27.4557 31.3284 25.9419 35.7902 -24.6892 33.9935 -27.4961 -16.5562 TIMING: 3016600 CPU: 9007.43, 0.0030236/step Wall: 9007.43, 0.0030236/step, 1.66584 hours remaining, 206.257812 MB of memory in use. ENERGY: 3016600 767.2350 2067.2258 1957.4364 123.5696 -206099.2649 17882.0193 0.0000 0.0000 34160.4212 -149141.3576 298.3315 -183301.7788 -149046.5811 299.8034 111.9550 140.4593 558631.9319 14.5321 14.5109 PRESSURE: 3016800 27.8058 28.1792 66.4478 28.1789 6.61804 -39.2622 66.4477 -39.261 -305.105 GPRESSURE: 3016800 22.9659 61.8512 -36.9794 -40.9834 36.9938 -72.9191 151.129 28.1367 -233.688 PRESSAVG: 3016800 32.578 -11.8066 3.12041 -11.8066 -62.465 -0.897823 3.12041 -0.897961 -18.0979 GPRESSAVG: 3016800 31.7658 -13.1862 2.36212 -13.2596 -61.7382 -0.914168 1.73245 -0.358362 -18.2137 TIMING: 3016800 CPU: 9008.04, 0.00303714/step Wall: 9008.04, 0.00303714/step, 1.67313 hours remaining, 206.257812 MB of memory in use. ENERGY: 3016800 749.3799 2064.8725 1917.3461 111.0208 -205864.8859 17672.5745 0.0000 0.0000 34269.3906 -149080.3015 299.2831 -183349.6921 -148984.9896 299.5813 -90.2270 -57.9095 558698.6134 -15.9949 -16.0620 PRESSURE: 3017000 43.1439 70.2934 -13.9809 70.2933 -36.1544 90.4062 -13.9812 90.4072 -124.428 GPRESSURE: 3017000 97.3945 96.7328 48.5332 93.5035 13.11 -16.9298 14.2928 69.6893 -136.506 PRESSAVG: 3017000 25.1363 8.7765 0.0756807 8.77646 17.3595 1.88517 0.0756404 1.88526 -39.8101 GPRESSAVG: 3017000 26.4946 9.5768 3.09443 12.7835 16.3501 0.761596 -0.273207 4.17597 -40.2279 TIMING: 3017000 CPU: 9008.64, 0.0030421/step Wall: 9008.64, 0.0030421/step, 1.67569 hours remaining, 206.257812 MB of memory in use. ENERGY: 3017000 776.4714 2125.5376 1931.6265 109.6320 -206020.2433 17837.1007 0.0000 0.0000 34301.3953 -148938.4798 299.5626 -183239.8751 -148848.8785 299.7888 -39.1460 -8.6672 557612.1869 0.8952 0.8723 PRESSURE: 3017200 -36.3625 -16.7692 163.482 -16.7684 133.765 -39.6447 163.484 -39.6421 -86.403 GPRESSURE: 3017200 -65.0848 -56.0167 97.3134 5.05212 221.351 -107.079 113.798 -38.0248 -56.9352 PRESSAVG: 3017200 -41.0445 32.3427 -4.8333 32.3428 36.0938 -26.2831 -4.83351 -26.2831 -16.9129 GPRESSAVG: 3017200 -42.3494 30.984 -7.08188 28.3752 36.5538 -25.6282 -4.7209 -27.6276 -16.1694 TIMING: 3017200 CPU: 9009.25, 0.00303512/step Wall: 9009.25, 0.00303512/step, 1.67168 hours remaining, 206.257812 MB of memory in use. ENERGY: 3017200 762.7407 2083.0478 1945.7499 107.3646 -206106.5517 17942.0945 0.0000 0.0000 34462.2028 -148803.3515 300.9670 -183265.5543 -148709.1236 300.1455 3.6665 33.1102 557150.9828 -7.2879 -7.3217 PRESSURE: 3017400 -106.626 5.20949 91.9372 5.20982 -97.0648 139.295 91.9375 139.295 273.655 GPRESSURE: 3017400 0.976398 -35.4881 80.0491 126.236 -68.8431 110.825 149.486 237.262 230.577 PRESSAVG: 3017400 5.03793 10.0014 42.0939 10.0014 14.9033 -10.3169 42.094 -10.317 -41.3727 GPRESSAVG: 3017400 4.6563 9.66755 41.8558 10.738 14.7995 -9.98953 44.0091 -9.60887 -41.0833 TIMING: 3017400 CPU: 9009.86, 0.003025/step Wall: 9009.86, 0.003025/step, 1.66594 hours remaining, 206.257812 MB of memory in use. ENERGY: 3017400 751.7379 2106.0276 1930.5403 104.6646 -205447.4451 17628.2878 0.0000 0.0000 34213.8724 -148712.3145 298.7983 -182926.1869 -148613.3632 300.2373 23.3214 54.2368 558339.7126 -7.1438 -7.2092 PRESSURE: 3017600 -53.2307 -79.8766 19.6456 -79.8769 52.5662 -143.845 19.6465 -143.847 229.007 GPRESSURE: 3017600 38.3779 -58.0328 17.2122 -81.1474 70.504 -180.501 59.6831 -123.182 212.723 PRESSAVG: 3017600 8.7934 118.97 36.5054 118.97 18.3628 44.5539 36.5054 44.5539 6.457 GPRESSAVG: 3017600 9.29975 119.458 37.221 119.416 19.6748 44.623 34.9337 44.637 4.38107 TIMING: 3017600 CPU: 9010.46, 0.00302979/step Wall: 9010.46, 0.00302979/step, 1.6684 hours remaining, 206.257812 MB of memory in use. ENERGY: 3017600 715.5959 2088.7660 1920.4781 121.2557 -205830.7993 17818.3771 0.0000 0.0000 34552.0454 -148614.2811 301.7516 -183166.3265 -148520.6248 300.4098 76.1142 107.2017 557925.1306 11.2044 11.1185 PRESSURE: 3017800 115.341 -75.8442 -99.8227 -75.843 181.189 -63.1495 -99.8242 -63.1508 148.572 GPRESSURE: 3017800 166.553 2.08396 -95.9737 -90.0218 161.874 -75.2615 -121.488 -31.8975 209.481 PRESSAVG: 3017800 67.0601 0.800495 13.6722 0.800436 6.64096 4.75642 13.6722 4.75641 -22.2853 GPRESSAVG: 3017800 66.9394 2.38408 14.7585 -0.532421 5.0527 5.0354 15.3566 5.40891 -20.827 TIMING: 3017800 CPU: 9011.07, 0.00302985/step Wall: 9011.07, 0.00302985/step, 1.66827 hours remaining, 206.257812 MB of memory in use. ENERGY: 3017800 746.7548 2065.8772 1904.9005 100.4132 -206252.7522 18113.5373 0.0000 0.0000 34772.6896 -148548.5796 303.6785 -183321.2692 -148450.4406 301.0593 148.3675 179.3027 558331.2935 17.1386 17.0551 PRESSURE: 3018000 219.259 -25.2439 55.9692 -25.2437 -32.5882 -7.32363 55.9689 -7.32273 -68.8749 GPRESSURE: 3018000 229.235 0.34605 76.5832 38.0126 -15.3661 -10.2415 99.413 -86.5819 -4.66936 PRESSAVG: 3018000 -4.19359 -2.59855 20.3132 -2.59861 -19.4906 6.31458 20.3132 6.31441 -10.8026 GPRESSAVG: 3018000 -4.54303 -5.94639 19.6494 -1.87315 -18.8318 7.78248 18.8495 3.97924 -11.181 TIMING: 3018000 CPU: 9011.67, 0.00301546/step Wall: 9011.67, 0.00301546/step, 1.66018 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: 3018000 745.7432 2005.3771 1885.3137 100.9115 -205749.9769 17712.2338 0.0000 0.0000 34645.9376 -148654.4600 302.5716 -183300.3975 -148551.8341 301.0700 39.2653 69.7332 558416.7209 -11.4956 -11.5186 PRESSURE: 3018200 91.0022 -35.4783 0.845599 -35.4791 176.413 -76.3431 0.847645 -76.343 106.578 GPRESSURE: 3018200 166.711 -33.8827 -57.2939 -75.4621 175.16 -100.43 -49.8587 -31.1253 135.341 PRESSAVG: 3018200 -38.2595 -47.3733 1.8386 -47.3732 10.3422 -22.3696 1.83862 -22.3697 -12.4332 GPRESSAVG: 3018200 -37.4973 -47.5769 0.0896948 -45.2766 8.79889 -24.0148 2.19081 -20.3625 -11.3375 TIMING: 3018200 CPU: 9012.27, 0.00299545/step Wall: 9012.27, 0.00299545/step, 1.64899 hours remaining, 206.257812 MB of memory in use. ENERGY: 3018200 753.3302 2125.3402 1927.8212 110.3616 -205896.2356 17941.9867 0.0000 0.0000 34505.9993 -148531.3964 301.3495 -183037.3957 -148432.6587 300.9659 124.6643 159.0704 559948.6584 -13.4502 -13.3453 PRESSURE: 3018400 -129.365 168.974 -95.1442 168.974 -21.1102 -114.259 -95.1449 -114.259 97.544 GPRESSURE: 3018400 -97.8658 132.198 -99.689 194.491 40.7597 -64.1717 -50.8012 -88.525 103.059 PRESSAVG: 3018400 -15.7506 -26.3266 20.3665 -26.3266 -13.1836 -32.3399 20.3665 -32.3399 -0.875253 GPRESSAVG: 3018400 -16.0215 -23.8321 20.393 -27.4238 -11.2762 -31.8171 20.7028 -32.7577 -2.76931 TIMING: 3018400 CPU: 9012.87, 0.00299049/step Wall: 9012.87, 0.00299049/step, 1.6461 hours remaining, 206.257812 MB of memory in use. ENERGY: 3018400 767.3906 2072.9611 1951.9121 116.8721 -206271.0629 17958.2028 0.0000 0.0000 34551.3234 -148852.4009 301.7453 -183403.7242 -148757.9361 301.1831 -17.6438 15.3177 558358.6606 -9.9365 -10.0223 PRESSURE: 3018600 121.754 10.4719 -26.7128 10.4708 -393.901 187.753 -26.7136 187.752 173.308 GPRESSURE: 3018600 120.284 15.8905 -17.7454 77.8951 -307.891 176.051 -51.2274 204.54 182.013 PRESSAVG: 3018600 -55.4725 -44.4546 -1.05931 -44.4546 17.2457 -9.8155 -1.05942 -9.81548 23.5748 GPRESSAVG: 3018600 -54.0044 -44.7872 1.29762 -44.9459 16.1534 -8.46577 -1.54167 -10.587 23.477 TIMING: 3018600 CPU: 9013.47, 0.00301435/step Wall: 9013.47, 0.00301435/step, 1.65907 hours remaining, 206.257812 MB of memory in use. ENERGY: 3018600 727.0322 2099.9189 1928.3370 107.1638 -205389.1206 17336.8917 0.0000 0.0000 34287.8098 -148901.9672 299.4440 -183189.7770 -148801.5242 300.7386 -32.9463 -1.8645 557627.0829 -4.8840 -4.7913 PRESSURE: 3018800 121.184 -16.0549 -175.992 -16.0567 -33.2616 -86.7092 -175.992 -86.7082 69.1623 GPRESSURE: 3018800 135.064 -98.3797 -134.063 -29.1535 42.2531 -208.5 -162.095 -116.422 70.2631 PRESSAVG: 3018800 -31.6455 -12.2952 1.61491 -12.2953 42.5143 -16.2176 1.61497 -16.2174 11.1115 GPRESSAVG: 3018800 -33.6228 -15.3802 0.0585127 -11.0816 43.4603 -19.5636 1.2384 -15.8316 12.268 TIMING: 3018800 CPU: 9014.07, 0.00300794/step Wall: 9014.07, 0.00300794/step, 1.65537 hours remaining, 206.257812 MB of memory in use. ENERGY: 3018800 741.7650 2108.5845 1948.9414 111.6598 -206406.9029 17997.7809 0.0000 0.0000 34374.8139 -149123.3574 300.2038 -183498.1713 -149023.1419 299.9144 52.3614 82.5268 557839.3985 7.3268 7.3685 PRESSURE: 3019000 -270.281 40.4747 34.1361 40.475 -200.153 236.536 34.1366 236.537 -214.981 GPRESSURE: 3019000 -171.325 -54.2238 26.8378 33.1047 -233.985 235.361 25.5032 183.683 -194.961 PRESSAVG: 3019000 81.1424 -33.58 -18.8589 -33.58 -53.834 -28.2812 -18.8589 -28.2814 -29.3885 GPRESSAVG: 3019000 81.5424 -30.6466 -18.164 -35.9403 -54.9765 -26.9783 -18.6146 -28.6996 -28.4611 TIMING: 3019000 CPU: 9014.67, 0.003009/step Wall: 9014.67, 0.003009/step, 1.65579 hours remaining, 206.257812 MB of memory in use. ENERGY: 3019000 752.5396 2077.8577 1948.6853 111.8049 -205907.6344 17640.1192 0.0000 0.0000 34334.8796 -149041.7482 299.8550 -183376.6278 -148947.7159 299.9112 -228.4717 -200.0902 558543.6455 -0.6934 -0.6317 PRESSURE: 3019200 40.3316 21.0175 -56.4186 21.0177 134.726 28.3517 -56.4191 28.3517 -160.773 GPRESSURE: 3019200 60.6363 12.2398 -38.0509 20.3139 128.701 17.7303 -115.062 42.5203 -72.3234 PRESSAVG: 3019200 15.7248 -22.8874 11.3559 -22.8875 -66.621 23.091 11.3559 23.0911 66.322 GPRESSAVG: 3019200 15.7124 -23.2239 9.71459 -21.4441 -66.378 23.1583 12.017 24.3367 65.6991 TIMING: 3019200 CPU: 9015.28, 0.00304412/step Wall: 9015.28, 0.00304412/step, 1.67494 hours remaining, 206.257812 MB of memory in use. ENERGY: 3019200 724.5333 2072.5521 1919.4150 102.4075 -206023.8630 17686.0771 0.0000 0.0000 34379.9026 -149138.9754 300.2482 -183518.8780 -149041.1017 299.7290 4.7615 39.0045 557705.9911 5.1419 5.0112 PRESSURE: 3019400 -147.911 -74.0977 -78.4619 -74.0979 -151.506 -107.289 -78.4627 -107.288 51.9952 GPRESSURE: 3019400 -97.4668 -46.1657 -108.77 -101.174 -115.485 -41.9503 -77.9067 -103.21 60.2331 PRESSAVG: 3019400 37.123 -13.4842 41.2903 -13.4842 14.8659 -33.2963 41.2903 -33.2964 -4.04619 GPRESSAVG: 3019400 36.2398 -13.5668 41.9926 -12.9421 15.1675 -31.4267 41.4982 -34.5987 -3.90961 TIMING: 3019400 CPU: 9015.89, 0.00304989/step Wall: 9015.89, 0.00304989/step, 1.67795 hours remaining, 206.257812 MB of memory in use. ENERGY: 3019400 757.1531 2070.8924 1962.8262 122.1106 -206061.2567 17783.2736 0.0000 0.0000 34204.1529 -149160.8480 298.7134 -183365.0009 -149061.5371 299.9489 -82.4739 -50.9061 557913.8659 15.9809 15.8326 PRESSURE: 3019600 -36.6888 -39.0248 168.074 -39.0261 -329.465 -73.6642 168.074 -73.6642 -156.604 GPRESSURE: 3019600 10.3321 21.5691 131.471 -135.533 -355.559 -37.2526 140.474 -124.135 -91.8487 PRESSAVG: 3019600 11.1053 -22.3876 -23.4837 -22.3875 16.7838 -36.772 -23.4837 -36.772 -56.3275 GPRESSAVG: 3019600 13.0474 -23.6983 -22.3822 -22.4453 16.3568 -37.0402 -26.3142 -36.6357 -57.4611 TIMING: 3019600 CPU: 9016.49, 0.00300711/step Wall: 9016.49, 0.00300711/step, 1.65425 hours remaining, 206.257812 MB of memory in use. ENERGY: 3019600 743.6107 2100.2761 1971.2678 112.9101 -206084.8627 17634.9330 0.0000 0.0000 34310.2106 -149211.6543 299.6396 -183521.8650 -149112.7473 299.6561 -174.2524 -145.6919 559286.4734 -9.4795 -9.3523 PRESSURE: 3019800 117.332 -140.847 120.065 -140.849 137.289 -25.3639 120.066 -25.3624 -40.4927 GPRESSURE: 3019800 107.136 -154.953 123.421 -60.962 166.637 -12.5256 168.255 -31.121 20.752 PRESSAVG: 3019800 53.7387 -36.4845 -8.17057 -36.4845 -20.9347 -12.8738 -8.17059 -12.8739 -33.3329 GPRESSAVG: 3019800 51.6865 -36.6373 -8.97232 -36.9771 -19.869 -14.3924 -6.03102 -11.1678 -32.2636 TIMING: 3019800 CPU: 9017.1, 0.00301207/step Wall: 9017.1, 0.00301207/step, 1.65681 hours remaining, 206.257812 MB of memory in use. ENERGY: 3019800 769.0397 2124.9981 1934.1134 115.8963 -206535.4553 17979.0813 0.0000 0.0000 34318.1247 -149294.2018 299.7087 -183612.3265 -149198.2419 299.0757 71.3762 98.1751 556384.2171 -0.1763 -0.1487 PRESSURE: 3020000 -155.329 -29.4983 13.5796 -29.4975 -37.1464 -227.021 13.5811 -227.02 99.6189 GPRESSURE: 3020000 -120.021 24.6188 65.3122 -59.5611 -41.678 -108.7 0.508258 -311.728 164.52 PRESSAVG: 3020000 31.0898 -49.1777 64.4629 -49.1777 -71.5278 -12.0014 64.4629 -12.0014 19.4533 GPRESSAVG: 3020000 31.1742 -46.8606 65.837 -49.7602 -71.1712 -10.628 64.3282 -14.0816 19.3937 TIMING: 3020000 CPU: 9017.7, 0.00300833/step Wall: 9017.7, 0.00300833/step, 1.65458 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: 3020000 746.8433 2116.2434 1937.8491 107.4071 -206285.8736 17863.7387 0.0000 0.0000 34454.8938 -149058.8982 300.9032 -183513.7920 -148962.9286 299.3636 -30.9520 0.9405 558078.0581 -6.9949 -6.8678 PRESSURE: 3020200 -37.1207 42.7397 -23.6397 42.7392 51.6817 145.181 -23.6399 145.18 40.3228 GPRESSURE: 3020200 40.8537 83.2061 20.9526 52.3529 55.9978 159.175 29.8552 88.6485 66.2982 PRESSAVG: 3020200 -0.511513 -35.2294 -0.760208 -35.2293 38.1736 28.7665 -0.760255 28.7666 -36.7947 GPRESSAVG: 3020200 1.15191 -36.2108 -0.220833 -34.2594 37.1039 27.4991 -2.52554 28.1943 -37.3682 TIMING: 3020200 CPU: 9018.3, 0.00301017/step Wall: 9018.3, 0.00301017/step, 1.65543 hours remaining, 206.257812 MB of memory in use. ENERGY: 3020200 727.0862 2108.2916 1934.5989 118.1135 -206317.9950 17919.8411 0.0000 0.0000 34288.9107 -149221.1531 299.4536 -183510.0638 -149123.2600 299.6349 18.2946 54.3833 557644.6780 0.2892 0.2959 LDB: ============= START OF LOAD BALANCING ============== 9021.74 LDB: ============== END OF LOAD BALANCING =============== 9021.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9021.74 LDB: ============= START OF LOAD BALANCING ============== 9022.04 LDB: Largest compute 4821 load 0.029612 is 25.1% of average load 0.118073 LDB: Average compute 0.001733 is 1.5% of average load 0.118073 LDB: TIME 9022.04 LOAD: AVG 0.118073 MAX 0.206165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 9022.04 LOAD: AVG 0.118073 MAX 0.206165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.613 MB LDB: TIME 9022.04 LOAD: AVG 0.118073 MAX 0.206165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.613 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9022.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9022.05 PRESSURE: 3020400 -142.898 16.743 -149.206 16.743 119.03 28.1055 -149.205 28.1062 49.4829 GPRESSURE: 3020400 -75.909 23.4224 -175.296 -63.5948 112.881 54.1114 -214.49 69.0827 86.1495 PRESSAVG: 3020400 -70.2652 -8.36607 -44.6036 -8.36611 65.4073 1.19652 -44.6036 1.19647 9.66293 GPRESSAVG: 3020400 -71.4488 -9.30401 -46.8791 -10.851 64.9199 2.82972 -45.2163 1.69479 11.6532 TIMING: 3020400 CPU: 9018.92, 0.00309126/step Wall: 9018.92, 0.00309126/step, 1.69985 hours remaining, 207.332031 MB of memory in use. ENERGY: 3020400 769.7512 2056.1164 1970.1090 110.1249 -206233.1629 17887.0733 0.0000 0.0000 34281.3306 -149158.6575 299.3874 -183439.9881 -149066.2160 299.5369 8.5382 41.0405 557642.0291 1.6017 1.7081 PRESSURE: 3020600 38.8813 -89.4739 -25.9401 -89.4737 31.5608 191.372 -25.94 191.372 191.205 GPRESSURE: 3020600 5.65637 -17.5772 -37.0417 -160.439 97.6117 140.2 -26.0063 157.636 244.881 PRESSAVG: 3020600 -31.1665 -50.6545 11.3655 -50.6545 -43.6117 15.5952 11.3655 15.5951 83.1466 GPRESSAVG: 3020600 -31.4888 -51.7265 11.068 -49.8695 -42.9576 13.8913 15.1708 16.0475 82.1572 TIMING: 3020600 CPU: 9019.52, 0.00301375/step Wall: 9019.52, 0.00301375/step, 1.65706 hours remaining, 207.332031 MB of memory in use. ENERGY: 3020600 749.8601 2130.6336 1935.6281 107.9404 -206475.6963 17966.6050 0.0000 0.0000 34509.5502 -149075.4791 301.3805 -183585.0293 -148980.6875 300.4077 87.2155 116.0498 558082.9864 2.7895 2.5703 PRESSURE: 3020800 -14.5022 -43.5024 -10.2581 -43.5013 128.252 -123.069 -10.2581 -123.069 -238.128 GPRESSURE: 3020800 21.152 28.8113 -21.5392 -7.63985 194.196 -124.031 1.91194 -154.597 -231.645 PRESSAVG: 3020800 62.6907 6.85896 -16.6349 6.85888 39.0348 -64.05 -16.635 -64.05 -93.1977 GPRESSAVG: 3020800 62.3409 9.66217 -14.1571 7.44456 39.2117 -63.3164 -17.545 -64.2769 -92.4876 TIMING: 3020800 CPU: 9020.13, 0.0030299/step Wall: 9020.13, 0.0030299/step, 1.66577 hours remaining, 207.332031 MB of memory in use. ENERGY: 3020800 733.4385 2113.7609 1937.6364 120.0165 -206546.8510 17959.3113 0.0000 0.0000 34453.8574 -149228.8300 300.8941 -183682.6874 -149133.1272 299.2362 -41.4592 -5.4324 557932.6661 2.8426 3.0217 PRESSURE: 3021000 97.7065 111.407 104.72 111.407 205.439 127.792 104.72 127.79 156.023 GPRESSURE: 3021000 37.6465 106.302 109.305 37.0278 297.949 50.2159 99.1286 135.827 220.179 PRESSAVG: 3021000 21.2622 -34.0103 15.075 -34.0103 25.3041 -40.9698 15.075 -40.9698 -7.13122 GPRESSAVG: 3021000 20.4118 -35.7918 13.3451 -33.8958 25.1249 -41.7803 14.9926 -41.3556 -6.11778 TIMING: 3021000 CPU: 9020.73, 0.00302007/step Wall: 9020.73, 0.00302007/step, 1.6602 hours remaining, 207.332031 MB of memory in use. ENERGY: 3021000 727.8712 2117.3486 1974.6939 114.4292 -206492.5485 18153.6234 0.0000 0.0000 34148.9685 -149255.6139 298.2314 -183404.5824 -149156.5406 299.2119 153.0562 185.2581 558726.5018 13.1450 13.1397 PRESSURE: 3021200 -78.8669 75.4521 195.206 75.4523 207.179 -63.4843 195.207 -63.4846 -105.588 GPRESSURE: 3021200 -4.42331 127.844 161.523 -4.60312 200.113 -91.205 215.533 -16.1136 -69.0622 PRESSAVG: 3021200 25.8262 36.7088 37.6398 36.7089 -77.1583 -78.6459 37.6398 -78.6459 22.122 GPRESSAVG: 3021200 26.7668 38.5248 36.7612 37.0145 -76.6312 -79.2918 35.9952 -78.6782 21.2229 TIMING: 3021200 CPU: 9021.34, 0.00302859/step Wall: 9021.34, 0.00302859/step, 1.66472 hours remaining, 207.332031 MB of memory in use. ENERGY: 3021200 739.0474 2076.9011 1939.5516 115.6394 -206082.4878 17678.4250 0.0000 0.0000 34067.6924 -149465.2308 297.5216 -183532.9232 -149375.5687 298.7020 7.5745 42.2091 557886.7140 -9.7367 -9.5472 PRESSURE: 3021400 2.87673 70.9002 66.9597 70.8997 -73.1257 24.8789 66.9599 24.8781 -54.007 GPRESSURE: 3021400 20.9264 11.4162 111.025 -2.06062 16.9033 -61.3486 1.63175 62.5869 -66.9001 PRESSAVG: 3021400 -12.9628 -26.4326 48.0567 -26.4327 -1.2572 -76.8793 48.0567 -76.8793 33.5458 GPRESSAVG: 3021400 -12.4886 -30.5795 48.2654 -26.2544 -1.78505 -76.817 49.3872 -75.0808 33.5713 TIMING: 3021400 CPU: 9021.95, 0.00303794/step Wall: 9021.95, 0.00303794/step, 1.66969 hours remaining, 207.332031 MB of memory in use. ENERGY: 3021400 730.3751 2083.0078 1917.1974 115.5542 -206189.0252 17688.4548 0.0000 0.0000 34202.6365 -149451.7995 298.7001 -183654.4359 -149352.4428 299.0743 -41.4187 -9.6901 557133.3724 6.4419 6.4325 PRESSURE: 3021600 -211.548 -109.82 23.1925 -109.82 15.4599 55.8684 23.1929 55.8705 -34.4173 GPRESSURE: 3021600 -155.899 -90.8472 -15.934 -141.246 98.9952 71.7859 7.34798 89.9626 -60.9419 PRESSAVG: 3021600 19.6633 38.9552 -10.4806 38.9552 37.6235 -2.50312 -10.4806 -2.50313 9.61354 GPRESSAVG: 3021600 19.749 39.1721 -10.916 38.8785 37.6038 -1.34483 -12.2964 -4.38105 9.91947 TIMING: 3021600 CPU: 9022.55, 0.00302102/step Wall: 9022.55, 0.00302102/step, 1.66022 hours remaining, 207.402344 MB of memory in use. ENERGY: 3021600 721.5876 2083.2443 1943.8264 120.1422 -206395.6382 17661.7528 0.0000 0.0000 34317.9228 -149547.1620 299.7070 -183865.0848 -149450.6781 298.3498 -76.8350 -39.2820 557642.3884 22.3001 22.4241 PRESSURE: 3021800 121.202 -63.0183 15.915 -63.019 92.9474 146.8 15.9151 146.801 -99.3224 GPRESSURE: 3021800 169.034 3.52195 -2.98313 -165.957 90.3665 142.893 7.87993 99.8011 -49.5194 PRESSAVG: 3021800 -39.2365 -47.4275 21.4494 -47.4274 46.1658 24.8795 21.4494 24.8795 -10.1874 GPRESSAVG: 3021800 -39.0274 -44.232 20.634 -49.1523 45.3744 24.9368 22.7656 25.879 -9.4753 TIMING: 3021800 CPU: 9023.16, 0.00302895/step Wall: 9023.16, 0.00302895/step, 1.66441 hours remaining, 207.402344 MB of memory in use. ENERGY: 3021800 712.5856 2048.3197 1939.1412 105.0152 -206575.2845 17847.2183 0.0000 0.0000 34174.9185 -149748.0860 298.4581 -183923.0045 -149647.0164 298.1196 38.2755 69.9604 556470.9115 -1.0860 -1.0428 PRESSURE: 3022000 -252.439 4.0165 -141.445 4.01662 -137.26 135.757 -141.445 135.756 -336.361 GPRESSURE: 3022000 -238.411 46.8107 -199.034 -55.3713 -100.612 106.838 -117.104 48.5011 -292.132 PRESSAVG: 3022000 -5.80766 -13.0141 -13.3536 -13.0139 53.2461 24.443 -13.3537 24.4431 -51.5549 GPRESSAVG: 3022000 -5.95949 -13.9909 -12.1868 -10.9906 53.7161 24.2133 -9.90912 23.4759 -51.4829 TIMING: 3022000 CPU: 9023.76, 0.00300916/step Wall: 9023.76, 0.00300916/step, 1.65336 hours remaining, 207.402344 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: 3022000 765.9395 2085.7888 1974.1206 109.4793 -206164.6281 17471.6835 0.0000 0.0000 34249.8770 -149507.7395 299.1127 -183757.6165 -149414.9624 298.2689 -242.0201 -210.3853 557212.8902 -1.3722 -1.2421 PRESSURE: 3022200 117.862 212.397 -20.1849 212.397 58.1667 -120.649 -20.1844 -120.647 236.693 GPRESSURE: 3022200 116.86 242.757 -2.89069 255.863 68.813 -188.212 -33.9387 -103.27 329.513 PRESSAVG: 3022200 -36.5948 4.77411 15.5544 4.77413 35.2758 25.8586 15.5545 25.8586 14.7424 GPRESSAVG: 3022200 -38.0834 5.88393 16.3353 5.99384 36.2751 26.3907 9.53289 26.9119 14.8224 TIMING: 3022200 CPU: 9024.36, 0.00300643/step Wall: 9024.36, 0.00300643/step, 1.6517 hours remaining, 207.402344 MB of memory in use. ENERGY: 3022200 734.9823 2106.2077 1964.7285 113.7878 -206368.7544 17969.2513 0.0000 0.0000 34165.7174 -149314.0793 298.3777 -183479.7968 -149232.0765 298.9764 137.5740 171.7288 555345.0280 4.4744 4.3380 PRESSURE: 3022400 -213.761 30.4234 -26.6316 30.4222 51.1084 203.107 -26.6323 203.107 -123.578 GPRESSURE: 3022400 -218.515 24.4516 39.9282 -70.7825 71.7329 127.731 -73.2833 322.408 -45.9637 PRESSAVG: 3022400 -44.8152 40.6765 -2.9785 40.6765 18.4291 11.3273 -2.97851 11.3273 31.6037 GPRESSAVG: 3022400 -44.2351 40.8301 -3.9895 39.8705 17.7232 11.0151 0.621353 11.2295 31.641 TIMING: 3022400 CPU: 9024.96, 0.0030155/step Wall: 9024.96, 0.0030155/step, 1.65651 hours remaining, 207.402344 MB of memory in use. ENERGY: 3022400 753.5362 2110.3312 1970.4921 125.0516 -206351.0762 17758.9948 0.0000 0.0000 34248.2846 -149384.3856 299.0988 -183632.6702 -149296.7212 298.7686 -95.4105 -64.2487 557441.8248 1.7392 1.7097 PRESSURE: 3022600 -188.701 72.4122 -200.407 72.4121 -214.672 -49.7631 -200.406 -49.7613 35.2999 GPRESSURE: 3022600 -110.762 -0.0486231 -229.453 123.765 -155.226 -48.7294 -148.019 -17.8351 4.09692 PRESSAVG: 3022600 55.2187 25.6827 -9.37946 25.6828 -45.9437 29.5959 -9.37943 29.5959 -21.7278 GPRESSAVG: 3022600 56.0807 25.654 -6.14685 25.5781 -44.7758 32.1457 -12.1062 28.9054 -23.9795 TIMING: 3022600 CPU: 9025.56, 0.00301394/step Wall: 9025.56, 0.00301394/step, 1.65549 hours remaining, 207.402344 MB of memory in use. ENERGY: 3022600 758.6741 2063.7182 1971.3560 108.7745 -205709.4863 17488.0118 0.0000 0.0000 34041.0062 -149277.9456 297.2886 -183318.9518 -149180.0610 298.1997 -122.6909 -87.2970 558042.6673 -4.1509 -4.2249 PRESSURE: 3022800 -166.508 48.2275 71.6786 48.2262 -296.815 -54.3467 71.6791 -54.3481 -199.249 GPRESSURE: 3022800 -187.515 52.4907 119.228 55.5501 -249.478 -7.7935 -20.6243 -49.1412 -131.325 PRESSAVG: 3022800 34.6983 13.3652 -25.8812 13.3651 -49.1045 -25.7876 -25.8812 -25.7876 31.6101 GPRESSAVG: 3022800 34.1159 12.4576 -27.0302 14.37 -49.9278 -28.509 -26.8297 -24.5741 33.308 TIMING: 3022800 CPU: 9026.17, 0.00300929/step Wall: 9026.17, 0.00300929/step, 1.65277 hours remaining, 207.402344 MB of memory in use. ENERGY: 3022800 725.8479 2090.7757 1931.6293 120.4896 -205726.8637 17381.6546 0.0000 0.0000 34162.3484 -149314.1182 298.3483 -183476.4666 -149215.1594 298.8233 -220.8573 -189.4396 558091.5981 5.7346 5.8320 PRESSURE: 3023000 -376.83 -66.5326 -101.544 -66.533 100.64 -131.734 -101.544 -131.736 -9.3006 GPRESSURE: 3023000 -310.315 -133.242 -113.323 -12.0229 120.142 -97.4204 -101.135 -83.2587 0.0867684 PRESSAVG: 3023000 -78.5472 53.4012 6.10257 53.4012 24.3605 -36.2898 6.10249 -36.2899 63.6994 GPRESSAVG: 3023000 -77.3673 52.7273 5.71485 52.2224 23.8815 -36.2836 6.19754 -37.0857 63.1957 TIMING: 3023000 CPU: 9026.77, 0.00302333/step Wall: 9026.77, 0.00302333/step, 1.66031 hours remaining, 207.402344 MB of memory in use. ENERGY: 3023000 715.5063 2096.4004 1936.6165 104.8647 -205842.6817 17500.2861 0.0000 0.0000 34091.6350 -149397.3726 297.7307 -183489.0076 -149303.4105 299.3252 -95.1636 -63.3620 556659.2773 3.1709 3.2366 PRESSURE: 3023200 103.388 49.6416 -41.8233 49.6408 -88.1624 17.5585 -41.8242 17.5569 -161.975 GPRESSURE: 3023200 93.5596 40.4146 -88.9033 82.6387 -43.8058 45.7069 108.316 -13.2399 -94.4873 PRESSAVG: 3023200 -49.5778 44.4844 -2.21024 44.4845 18.8681 -69.087 -2.21022 -69.0869 -18.0278 GPRESSAVG: 3023200 -50.0647 45.016 -2.04397 44.7562 18.7366 -67.7786 -0.873569 -69.0551 -17.1749 TIMING: 3023200 CPU: 9027.37, 0.00301873/step Wall: 9027.37, 0.00301873/step, 1.65762 hours remaining, 207.402344 MB of memory in use. ENERGY: 3023200 753.4857 2128.6111 1938.8373 111.2902 -206618.1451 17968.6340 0.0000 0.0000 34369.5778 -149347.7089 300.1581 -183717.2867 -149258.5732 299.1636 -48.9166 -14.9111 558173.7533 -16.2458 -16.1677 PRESSURE: 3023400 -121.85 -182.68 -9.0414 -182.68 -5.11311 -68.5935 -9.04321 -68.5932 267.88 GPRESSURE: 3023400 -114.713 -110.88 2.15886 -198.486 41.5454 7.05444 -53.6755 -155.432 312.551 PRESSAVG: 3023400 -19.958 -19.98 -9.02227 -19.9799 -1.23206 -13.088 -9.02229 -13.0881 23.6996 GPRESSAVG: 3023400 -20.6174 -18.2001 -8.4976 -21.767 -0.644639 -13.7864 -8.52738 -14.4627 23.4779 TIMING: 3023400 CPU: 9027.97, 0.00299299/step Wall: 9027.97, 0.00299299/step, 1.64332 hours remaining, 207.402344 MB of memory in use. ENERGY: 3023400 702.1521 2088.8163 1946.2908 110.9966 -206528.2497 18055.4031 0.0000 0.0000 34300.6667 -149323.9241 299.5563 -183624.5908 -149227.2446 299.5085 46.9725 79.7945 558034.7685 0.8365 0.7386 PRESSURE: 3023600 63.949 -238.012 -218.951 -238.012 -220.65 -4.92372 -218.95 -4.92181 -107.929 GPRESSURE: 3023600 79.2717 -254.852 -177.249 -173.269 -146.433 39.8633 -214.145 58.9582 -99.8885 PRESSAVG: 3023600 -37.4864 7.95889 -30.6206 7.95882 -17.724 16.1078 -30.6206 16.1078 42.7852 GPRESSAVG: 3023600 -36.3115 7.5073 -31.3634 7.87342 -18.2653 15.4597 -30.0343 18.8626 42.0163 TIMING: 3023600 CPU: 9028.58, 0.00301605/step Wall: 9028.58, 0.00301605/step, 1.65581 hours remaining, 207.402344 MB of memory in use. ENERGY: 3023600 761.7014 2152.1860 1954.3547 116.5901 -206287.6849 17690.2432 0.0000 0.0000 34060.9403 -149551.6693 297.4627 -183612.6096 -149466.3329 298.1152 -88.2103 -55.6833 556327.2336 -4.1418 -4.1868 PRESSURE: 3023800 -2.24403 88.793 -59.205 88.7928 37.8734 121.572 -59.2044 121.572 -110.995 GPRESSURE: 3023800 35.765 9.15902 49.7503 98.5242 101.231 147.007 -97.9277 150.018 -107.329 PRESSAVG: 3023800 38.2874 -51.6125 -1.58589 -51.6125 -20.7092 -15.2569 -1.58589 -15.257 -1.6476 GPRESSAVG: 3023800 35.7104 -52.9944 -1.17562 -49.317 -18.2878 -13.5695 -1.81554 -14.8973 -2.04257 TIMING: 3023800 CPU: 9029.18, 0.00300114/step Wall: 9029.18, 0.00300114/step, 1.64746 hours remaining, 207.402344 MB of memory in use. ENERGY: 3023800 719.5158 2113.3294 1955.9032 111.8029 -206156.8684 17655.4014 0.0000 0.0000 34201.3756 -149399.5402 298.6891 -183600.9157 -149296.6574 298.2581 -25.1218 9.8891 555982.3321 5.3102 5.1267 PRESSURE: 3024000 -404.451 -62.279 120.861 -62.2789 -157.116 60.9033 120.863 60.9026 -6.49518 GPRESSURE: 3024000 -404.409 -35.6732 75.7993 -49.2877 -70.9921 38.9954 125.608 -30.0085 7.2943 PRESSAVG: 3024000 29.4906 -12.7878 0.0544796 -12.7879 -5.37654 33.9075 0.0545943 33.9075 30.3093 GPRESSAVG: 3024000 31.0225 -12.4852 -1.1998 -13.2952 -7.69124 32.1946 1.5365 34.1223 30.8996 TIMING: 3024000 CPU: 9029.78, 0.00300583/step Wall: 9029.78, 0.00300583/step, 1.64987 hours remaining, 207.402344 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: 3024000 727.3508 2180.9885 1913.2524 121.7394 -205925.5614 17322.4690 0.0000 0.0000 34420.0041 -149239.7572 300.5985 -183659.7614 -149146.0729 299.3505 -189.3540 -156.0355 556701.5329 18.1411 18.0770 PRESSURE: 3024200 31.0492 56.5268 111.155 56.5274 -103.281 50.7044 111.155 50.7039 -250.818 GPRESSURE: 3024200 61.2158 16.3689 191.835 25.2033 -96.9812 66.5956 63.2669 52.0661 -187.481 PRESSAVG: 3024200 58.6531 -2.85524 -13.102 -2.8552 -23.8362 62.0489 -13.102 62.0488 -34.1964 GPRESSAVG: 3024200 58.2846 -3.82975 -11.5709 -1.15986 -24.0812 61.8634 -15.7753 61.131 -33.271 TIMING: 3024200 CPU: 9030.38, 0.00302055/step Wall: 9030.38, 0.00302055/step, 1.65778 hours remaining, 207.402344 MB of memory in use. ENERGY: 3024200 766.0161 2109.2560 1964.5885 111.9924 -205950.7281 17602.1057 0.0000 0.0000 34074.4763 -149322.2930 297.5809 -183396.7693 -149225.7715 298.7608 -107.6834 -74.4155 556777.9205 0.2068 0.3108 LDB: ============= START OF LOAD BALANCING ============== 9033.81 LDB: ============== END OF LOAD BALANCING =============== 9033.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9033.81 LDB: ============= START OF LOAD BALANCING ============== 9034.11 LDB: Largest compute 4821 load 0.030337 is 25.7% of average load 0.118075 LDB: Average compute 0.001733 is 1.5% of average load 0.118075 LDB: TIME 9034.11 LOAD: AVG 0.118075 MAX 0.204069 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.715 MB LDB: TIME 9034.11 LOAD: AVG 0.118075 MAX 0.204069 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.715 MB LDB: TIME 9034.11 LOAD: AVG 0.118075 MAX 0.204069 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.715 MB LDB: ============== END OF LOAD BALANCING =============== 9034.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9034.12 PRESSURE: 3024400 -146.334 43.683 -78.6895 43.6815 60.0129 -61.2097 -78.6903 -61.2089 -60.7177 GPRESSURE: 3024400 -104.3 5.58948 -53.0549 39.2992 142.339 -51.9584 -132.964 -34.2414 -88.9195 PRESSAVG: 3024400 -72.3769 -19.5926 -19.5833 -19.5926 80.4282 46.987 -19.5833 46.9871 -6.50279 GPRESSAVG: 3024400 -72.3519 -18.2068 -20.9251 -21.5588 81.3609 48.5417 -18.1383 46.7363 -7.88367 TIMING: 3024400 CPU: 9030.99, 0.00304289/step Wall: 9030.99, 0.00304289/step, 1.66987 hours remaining, 207.339844 MB of memory in use. ENERGY: 3024400 720.3835 2108.5559 1973.5210 117.5845 -206290.7982 17786.6702 0.0000 0.0000 34274.3673 -149309.7156 299.3266 -183584.0830 -149211.8722 299.0183 -49.0129 -16.9603 557320.1695 0.5162 0.3751 PRESSURE: 3024600 1.81536 -110.124 206.831 -110.124 90.9176 93.6978 206.832 93.6973 -136.422 GPRESSURE: 3024600 11.8688 -121.875 282.629 -132.612 167.617 8.45139 56.9617 126.869 -110.55 PRESSAVG: 3024600 -42.9146 -11.5055 4.34216 -11.5055 -18.3585 27.3619 4.34228 27.3619 48.8923 GPRESSAVG: 3024600 -43.4657 -11.2531 3.57353 -9.80351 -19.0638 25.6116 3.93904 27.1965 50.6613 TIMING: 3024600 CPU: 9031.59, 0.00300218/step Wall: 9031.59, 0.00300218/step, 1.64736 hours remaining, 207.339844 MB of memory in use. ENERGY: 3024600 786.1044 2108.5265 1939.0694 95.1957 -206695.8202 18081.2831 0.0000 0.0000 34278.4090 -149407.2321 299.3619 -183685.6411 -149313.8699 298.9020 -14.5630 22.9784 557744.9717 -4.1269 -3.9561 PRESSURE: 3024800 194.368 -64.2217 66.2113 -64.221 38.5606 53.4825 66.211 53.4844 -102.584 GPRESSURE: 3024800 176.324 -32.3932 109.137 -119.203 90.6356 36.5992 64.0661 18.9383 -32.9817 PRESSAVG: 3024800 -15.83 -1.6115 5.90157 -1.61156 37.9319 48.3624 5.90148 48.3625 0.956981 GPRESSAVG: 3024800 -14.8873 -2.59508 6.10421 -2.38183 38.9874 49.1958 4.61291 47.8864 -0.777777 TIMING: 3024800 CPU: 9032.19, 0.00299579/step Wall: 9032.19, 0.00299579/step, 1.64369 hours remaining, 207.339844 MB of memory in use. ENERGY: 3024800 720.7271 2042.7284 1945.4257 95.2628 -206413.7737 17858.9707 0.0000 0.0000 34434.8275 -149315.8315 300.7279 -183750.6590 -149214.4897 298.8788 43.4482 77.9928 558930.5401 7.6863 7.7741 PRESSURE: 3025000 -175.537 49.608 -127.844 49.6064 266.961 185.565 -127.845 185.565 -84.2039 GPRESSURE: 3025000 -91.7437 -39.4548 -76.6204 76.9122 251.677 148.206 -192.655 149.948 -54.0589 PRESSAVG: 3025000 -17.8466 -20.6293 32.6067 -20.6293 -9.37501 43.0195 32.6067 43.0195 15.2766 GPRESSAVG: 3025000 -19.7084 -20.1452 32.5219 -22.0685 -7.9837 43.4944 35.7081 42.732 16.2666 TIMING: 3025000 CPU: 9032.79, 0.00299569/step Wall: 9032.79, 0.00299569/step, 1.64347 hours remaining, 207.339844 MB of memory in use. ENERGY: 3025000 756.9951 2035.3225 1923.4049 111.0463 -205995.7433 17893.3207 0.0000 0.0000 33969.7951 -149305.8586 296.6667 -183275.6537 -149217.8718 298.6265 2.4068 35.2913 559349.5477 -3.9817 -3.8085 PRESSURE: 3025200 86.475 91.7681 64.2116 91.7687 -125.178 22.6763 64.2103 22.6771 -49.303 GPRESSURE: 3025200 133.948 88.585 125.844 63.4872 -86.4406 -30.8935 -46.8059 57.4493 -35.0962 PRESSAVG: 3025200 -1.01676 -26.3131 7.45275 -26.3131 11.5383 40.858 7.45273 40.858 -13.2587 GPRESSAVG: 3025200 -0.024065 -25.6055 8.82141 -26.4347 10.9007 40.0293 6.5827 42.7624 -13.1392 TIMING: 3025200 CPU: 9033.39, 0.00301483/step Wall: 9033.39, 0.00301483/step, 1.6538 hours remaining, 207.339844 MB of memory in use. ENERGY: 3025200 736.7778 2052.3961 1946.8602 110.8663 -206352.4925 17953.9272 0.0000 0.0000 34221.7122 -149329.9527 298.8667 -183551.6649 -149226.9991 298.7216 -29.3353 4.1369 558060.1348 -0.9124 -0.7542 PRESSURE: 3025400 -129.19 9.55052 258.402 9.55074 -2.14072 68.4208 258.403 68.4199 -82.4578 GPRESSURE: 3025400 -112.959 6.13471 262.402 -58.1943 56.8637 27.68 180.722 26.8094 -60.6278 PRESSAVG: 3025400 11.4908 -8.61754 34.0128 -8.61748 -62.4856 18.3256 34.0128 18.3255 122.886 GPRESSAVG: 3025400 12.9075 -10.2443 34.7142 -7.92998 -63.6158 18.7505 33.8489 18.6531 122.675 TIMING: 3025400 CPU: 9033.99, 0.00299125/step Wall: 9033.99, 0.00299125/step, 1.6407 hours remaining, 207.339844 MB of memory in use. ENERGY: 3025400 735.6786 2034.9180 1945.0674 112.2221 -206016.1185 17641.2657 0.0000 0.0000 34152.8592 -149394.1073 298.2654 -183546.9666 -149306.7419 298.8417 -71.2628 -38.9079 557554.2943 23.9637 23.9888 PRESSURE: 3025600 -292.562 5.44673 -98.0409 5.44791 -163.3 55.2293 -98.0426 55.231 -157.178 GPRESSURE: 3025600 -285.778 36.6295 -93.1811 -29.8775 -145.457 -95.5433 -45.3638 94.7037 -92.268 PRESSAVG: 3025600 1.31653 -16.2803 46.303 -16.2803 6.52949 -9.46063 46.3031 -9.46057 -5.47232 GPRESSAVG: 3025600 0.987515 -14.7708 43.858 -16.6233 6.01533 -11.8808 46.0943 -9.81968 -4.82658 TIMING: 3025600 CPU: 9034.59, 0.00299759/step Wall: 9034.59, 0.00299759/step, 1.64401 hours remaining, 207.339844 MB of memory in use. ENERGY: 3025600 747.7480 2121.8993 1943.7986 114.8509 -205896.0375 17471.9490 0.0000 0.0000 34120.9929 -149374.7987 297.9871 -183495.7916 -149273.4998 298.9347 -204.3468 -174.5010 557764.5458 0.7912 0.7254 PRESSURE: 3025800 -173.692 -131.892 -135.233 -131.892 -64.1455 44.5461 -135.233 44.5454 -234.491 GPRESSURE: 3025800 -184.36 -178.616 -140.54 -131.446 -81.1026 35.4696 -122.996 86.0909 -109.508 PRESSAVG: 3025800 -42.3588 -20.64 39.197 -20.6401 -6.71433 -63.821 39.197 -63.821 34.4904 GPRESSAVG: 3025800 -42.3757 -21.8528 38.871 -18.2825 -5.39916 -63.1596 40.2247 -62.7752 33.7909 TIMING: 3025800 CPU: 9035.19, 0.00300057/step Wall: 9035.19, 0.00300057/step, 1.64548 hours remaining, 207.339844 MB of memory in use. ENERGY: 3025800 766.7055 2095.1146 1966.9858 123.6220 -205832.2345 17554.2927 0.0000 0.0000 34126.9130 -149198.6007 298.0388 -183325.5138 -149104.8218 298.8249 -157.4428 -124.9903 559194.8999 -4.8609 -4.6613 PRESSURE: 3026000 -245.211 28.2807 40.0979 28.2796 110.083 29.3279 40.0994 29.3297 -290.363 GPRESSURE: 3026000 -140.089 27.4966 47.1376 133.764 99.3579 -4.30557 89.2227 -14.6416 -289.174 PRESSAVG: 3026000 -6.66661 -53.416 8.96634 -53.416 53.6049 -0.883065 8.96627 -0.882998 -28.249 GPRESSAVG: 3026000 -7.5003 -52.8659 9.41761 -54.2014 54.501 0.203429 9.09778 -3.4482 -28.1292 TIMING: 3026000 CPU: 9035.79, 0.00300393/step Wall: 9035.79, 0.00300393/step, 1.64715 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: 3026000 751.6165 2082.8187 1935.1978 110.1004 -205938.0326 17549.6438 0.0000 0.0000 34232.3099 -149276.3454 298.9593 -183508.6553 -149180.1556 299.5284 -141.8306 -109.9682 559418.0573 6.2298 6.2905 PRESSURE: 3026200 54.5173 20.7076 9.75896 20.7076 39.204 7.31113 9.75885 7.31287 -41.7231 GPRESSURE: 3026200 48.8635 18.1073 102.804 89.6929 141.402 17.6291 -57.0897 -36.6484 -36.4114 PRESSAVG: 3026200 -39.4024 -33.4704 23.4784 -33.4704 20.8512 -59.0013 23.4784 -59.0013 -13.2168 GPRESSAVG: 3026200 -38.8934 -32.1555 24.4299 -34.188 21.0831 -58.3462 21.6563 -59.0181 -13.4664 TIMING: 3026200 CPU: 9036.39, 0.00301021/step Wall: 9036.39, 0.00301021/step, 1.65043 hours remaining, 207.339844 MB of memory in use. ENERGY: 3026200 749.2967 2038.1053 1955.6362 115.0494 -206172.4230 17777.1413 0.0000 0.0000 34356.9131 -149180.2810 300.0475 -183537.1941 -149080.3021 299.1994 17.3327 51.2848 556972.5562 -10.5893 -10.4255 PRESSURE: 3026400 -128.414 -35.9479 95.679 -35.9477 -193.333 49.4248 95.6807 49.4258 -16.0152 GPRESSURE: 3026400 -84.1256 -18.3425 113.407 -46.2849 -172.425 102.828 25.3282 111.963 11.0973 PRESSAVG: 3026400 32.6439 8.49496 37.7205 8.49505 -14.5439 12.0834 37.7205 12.0834 37.7957 GPRESSAVG: 3026400 32.4824 9.22047 37.1884 8.13211 -14.9155 11.4702 37.7748 14.5208 38.2941 TIMING: 3026400 CPU: 9037, 0.00304657/step Wall: 9037, 0.00304657/step, 1.6702 hours remaining, 207.339844 MB of memory in use. ENERGY: 3026400 779.9539 2047.9580 1944.6400 111.4998 -205947.9460 17687.7963 0.0000 0.0000 34190.4639 -149185.6341 298.5938 -183376.0981 -149086.1156 299.8368 -112.5874 -81.8178 557167.0915 18.6319 18.6204 PRESSURE: 3026600 171.1 68.1854 -41.3399 68.1872 117.621 28.5304 -41.3403 28.5318 56.3349 GPRESSURE: 3026600 218.156 81.0406 -17.035 11.7982 100.739 38.5202 -14.8205 -6.32775 106.755 PRESSAVG: 3026600 -6.87077 1.51454 0.904497 1.51453 3.76607 30.117 0.904589 30.1171 0.0363593 GPRESSAVG: 3026600 -5.44861 0.561072 -0.298381 2.28453 2.75305 28.9495 1.27253 27.3527 -0.552935 TIMING: 3026600 CPU: 9037.61, 0.00305582/step Wall: 9037.61, 0.00305582/step, 1.6751 hours remaining, 207.339844 MB of memory in use. ENERGY: 3026600 762.6614 2072.3862 1937.9364 114.1141 -206622.2262 18128.6695 0.0000 0.0000 34191.9160 -149414.5426 298.6065 -183606.4586 -149315.8291 299.1100 115.0186 141.8832 555450.8239 -1.0228 -1.0828 PRESSURE: 3026800 -5.94106 -112.724 223.784 -112.723 -101.276 -4.78883 223.783 -4.7873 16.6743 GPRESSURE: 3026800 35.4102 -214.423 207.889 18.7575 -68.3237 99.2878 242.465 -56.0474 35.0272 PRESSAVG: 3026800 -13.3339 21.2655 -40.1888 21.2656 53.2309 44.5035 -40.1887 44.5034 9.62204 GPRESSAVG: 3026800 -12.8427 21.2119 -37.5315 20.6164 52.565 47.046 -40.3246 43.3611 9.66403 TIMING: 3026800 CPU: 9038.22, 0.00304196/step Wall: 9038.22, 0.00304196/step, 1.66733 hours remaining, 207.339844 MB of memory in use. ENERGY: 3026800 747.8766 2119.7506 1920.3103 122.7916 -206261.6060 17698.4225 0.0000 0.0000 34249.5529 -149402.9015 299.1099 -183652.4544 -149303.6960 299.2517 -30.1811 0.7046 556378.8219 16.5063 16.4621 PRESSURE: 3027000 87.8056 -10.5755 -98.4098 -10.5759 -368.316 -80.3402 -98.4111 -80.3396 -71.2262 GPRESSURE: 3027000 31.5245 14.1246 -100.363 -78.0668 -302.668 38.9086 -96.729 -151.294 18.0761 PRESSAVG: 3027000 52.3686 36.9477 -7.0424 36.9478 -22.168 29.2401 -7.04246 29.2401 -5.51409 GPRESSAVG: 3027000 49.7292 38.7982 -7.5554 34.9804 -19.963 29.0142 -8.75085 29.5012 -5.03516 TIMING: 3027000 CPU: 9038.83, 0.00302611/step Wall: 9038.83, 0.00302611/step, 1.65848 hours remaining, 207.339844 MB of memory in use. ENERGY: 3027000 751.0305 2096.3837 1938.2021 109.8774 -206011.6363 17483.9350 0.0000 0.0000 34336.5369 -149295.6706 299.8695 -183632.2075 -149199.3210 299.3090 -117.2454 -84.3559 557603.5641 8.2288 8.2437 PRESSURE: 3027200 0.73957 -16.4812 2.77528 -16.4812 255.845 78.9611 2.77604 78.9605 221.877 GPRESSURE: 3027200 113.125 33.4049 81.1738 -66.237 281.13 31.8691 28.8902 158.057 180.194 PRESSAVG: 3027200 2.84717 -16.4915 -28.7533 -16.4914 9.9833 29.6582 -28.7533 29.6582 2.66155 GPRESSAVG: 3027200 4.15023 -18.2074 -29.9228 -14.7695 9.62575 29.5376 -27.3237 29.6596 1.36502 TIMING: 3027200 CPU: 9039.43, 0.00303249/step Wall: 9039.43, 0.00303249/step, 1.6618 hours remaining, 207.339844 MB of memory in use. ENERGY: 3027200 695.6365 2104.2372 1943.2182 117.6207 -206113.1513 17861.2253 0.0000 0.0000 34107.3031 -149283.9102 297.8676 -183391.2133 -149190.5176 299.3742 159.4870 191.4830 557107.3258 5.1640 5.0470 PRESSURE: 3027400 -44.0581 29.0693 -36.4191 29.0685 -152.699 136.551 -36.419 136.551 -109.177 GPRESSURE: 3027400 2.19352 -24.9566 -38.6936 -4.57848 -190.721 51.1156 18.6625 212.914 -19.9171 PRESSAVG: 3027400 -61.9502 -47.6203 21.6405 -47.6204 64.5923 -7.76445 21.6404 -7.76439 1.44955 GPRESSAVG: 3027400 -62.3261 -47.8737 22.2339 -46.6745 63.4115 -6.99347 21.4384 -6.63787 3.04628 TIMING: 3027400 CPU: 9040.04, 0.00304211/step Wall: 9040.04, 0.00304211/step, 1.66691 hours remaining, 207.339844 MB of memory in use. ENERGY: 3027400 744.4276 2094.4228 1910.5094 109.0485 -206096.2358 17516.3518 0.0000 0.0000 34493.2302 -149228.2454 301.2380 -183721.4756 -149128.3633 299.7515 -101.9778 -69.4816 558325.9788 1.3639 1.3772 PRESSURE: 3027600 -36.9442 34.0427 13.6128 34.0427 20.5338 -89.2427 13.6115 -89.2437 167.965 GPRESSURE: 3027600 18.9157 68.3913 27.9225 -4.4083 18.3763 -42.4698 2.78944 -9.038 203.939 PRESSAVG: 3027600 -50.3553 -18.9925 4.4226 -18.9925 22.4954 54.4953 4.42265 54.4953 48.7693 GPRESSAVG: 3027600 -49.8027 -19.2407 3.11829 -18.8007 22.9328 54.1832 3.94479 53.2074 48.0162 TIMING: 3027600 CPU: 9040.65, 0.00302479/step Wall: 9040.65, 0.00302479/step, 1.65725 hours remaining, 207.339844 MB of memory in use. ENERGY: 3027600 734.8589 2074.1874 1968.2981 121.0581 -206183.2735 17812.4007 0.0000 0.0000 34333.6357 -149138.8347 299.8442 -183472.4704 -149042.2276 299.6560 50.5181 80.4104 556298.3730 6.9698 7.0488 PRESSURE: 3027800 -103.184 -181.348 122.222 -181.348 80.4048 -44.548 122.222 -44.5491 325.012 GPRESSURE: 3027800 -52.7569 -135.522 152.279 -72.8547 117.399 -124.15 120.552 -35.5746 318.899 PRESSAVG: 3027800 -73.3117 -61.8391 14.3887 -61.8391 1.63139 -68.0864 14.3886 -68.0864 47.4918 GPRESSAVG: 3027800 -73.6621 -62.9026 15.5552 -62.5215 1.36608 -68.734 14.7515 -67.6822 48.8625 TIMING: 3027800 CPU: 9041.25, 0.0030182/step Wall: 9041.25, 0.0030182/step, 1.65347 hours remaining, 207.339844 MB of memory in use. ENERGY: 3027800 712.0228 2125.9527 1958.6533 128.1120 -205742.7969 17628.0015 0.0000 0.0000 34259.1080 -148930.9467 299.1933 -183190.0547 -148833.2586 300.2335 100.7444 127.8469 556427.8640 -8.0628 -7.8112 PRESSURE: 3028000 36.2297 -115.653 -17.1631 -115.652 -40.0119 -4.96208 -17.1634 -4.96266 -77.9795 GPRESSURE: 3028000 44.1469 -115.252 61.8752 -63.15 -22.4168 -55.7923 -56.4107 -84.2437 -7.99799 PRESSAVG: 3028000 -44.8112 0.484329 1.57879 0.484306 10.2431 -57.0603 1.5788 -57.0604 33.1375 GPRESSAVG: 3028000 -45.5188 0.5934 1.64668 -0.170744 11.6206 -56.8172 2.47375 -56.4894 32.7582 TIMING: 3028000 CPU: 9041.85, 0.00300221/step Wall: 9041.85, 0.00300221/step, 1.64454 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: 3028000 740.2923 2124.5502 1952.3946 115.9557 -205779.5024 17524.3943 0.0000 0.0000 34471.5159 -148850.3994 301.0483 -183321.9153 -148753.6260 300.7298 -27.2539 4.5774 557675.9111 -0.4769 -0.3800 PRESSURE: 3028200 -198.568 -75.9608 -59.4115 -75.9615 6.90668 -10.571 -59.4117 -10.5696 198.171 GPRESSURE: 3028200 -200.31 -83.1517 -21.9215 -60.0993 55.2653 -81.918 -83.9966 -33.6958 242.419 PRESSAVG: 3028200 -103.408 -34.1014 17.4749 -34.1014 18.1731 0.672902 17.4749 0.672873 73.9396 GPRESSAVG: 3028200 -103.452 -32.5544 16.9325 -36.3123 17.091 -0.952427 16.7151 0.785349 74.9453 TIMING: 3028200 CPU: 9042.45, 0.00300045/step Wall: 9042.45, 0.00300045/step, 1.64341 hours remaining, 207.339844 MB of memory in use. ENERGY: 3028200 770.8435 2100.4806 1969.4019 106.9084 -205729.7400 17566.0282 0.0000 0.0000 34165.1251 -149050.9523 298.3725 -183216.0774 -148948.3651 300.0694 2.1696 32.4582 557209.2401 -3.7651 -3.8052 LDB: ============= START OF LOAD BALANCING ============== 9045.88 LDB: ============== END OF LOAD BALANCING =============== 9045.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9045.88 LDB: ============= START OF LOAD BALANCING ============== 9046.18 LDB: Largest compute 4820 load 0.029780 is 25.2% of average load 0.118049 LDB: Average compute 0.001733 is 1.5% of average load 0.118049 LDB: TIME 9046.18 LOAD: AVG 0.118049 MAX 0.206685 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.309 MB LDB: TIME 9046.18 LOAD: AVG 0.118049 MAX 0.206685 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.336 MB LDB: TIME 9046.18 LOAD: AVG 0.118049 MAX 0.206685 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.336 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9046.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9046.19 PRESSURE: 3028400 -223.203 -135.642 76.0607 -135.644 -79.5409 -40.5439 76.0602 -40.5425 -60.1157 GPRESSURE: 3028400 -154.409 -127.374 73.9587 -106.144 -74.2528 -76.6106 49.9825 -40.4283 -44.7694 PRESSAVG: 3028400 -5.86459 -64.3277 73.935 -64.3277 0.938549 -1.91278 73.9349 -1.91285 43.2291 GPRESSAVG: 3028400 -4.82215 -66.0746 75.5801 -62.3728 0.728768 -1.13157 72.9212 -3.46341 42.8541 TIMING: 3028400 CPU: 9043.06, 0.00304598/step Wall: 9043.06, 0.00304598/step, 1.66818 hours remaining, 205.824219 MB of memory in use. ENERGY: 3028400 767.5104 2065.0249 1952.7557 99.1226 -205805.6752 17586.1620 0.0000 0.0000 34306.7557 -149028.3438 299.6094 -183335.0995 -148932.6027 299.7167 -120.9532 -91.1437 556915.4441 12.7677 12.9202 PRESSURE: 3028600 -139.411 132.62 -107.79 132.62 52.3091 -83.144 -107.789 -83.1452 -40.5856 GPRESSURE: 3028600 -63.2529 161.322 -207.865 40.424 49.1747 -54.8734 -148.769 -116.315 -7.23585 PRESSAVG: 3028600 -2.22119 -68.1725 -42.3162 -68.1724 -29.7858 -6.75741 -42.3161 -6.75731 50.5858 GPRESSAVG: 3028600 -2.55678 -65.9568 -44.6044 -67.8824 -29.242 -6.31391 -42.86 -6.21588 51.2625 TIMING: 3028600 CPU: 9043.66, 0.0029857/step Wall: 9043.66, 0.0029857/step, 1.635 hours remaining, 206.027344 MB of memory in use. ENERGY: 3028600 734.3595 2054.7769 1957.0637 111.9218 -206195.0157 17675.7702 0.0000 0.0000 34524.8369 -149136.2868 301.5140 -183661.1237 -149037.6783 299.7729 -42.5624 -7.1047 555833.4021 6.1929 6.4879 PRESSURE: 3028800 -300.62 73.6768 -15.4344 73.6767 -141.494 31.2011 -15.4345 31.2009 -229.778 GPRESSURE: 3028800 -257.6 86.8293 27.9603 36.6408 -172.666 56.8551 14.1253 90.3192 -144.987 PRESSAVG: 3028800 -67.3145 31.4871 -43.6829 31.4871 55.385 -37.9527 -43.6828 -37.9527 18.8966 GPRESSAVG: 3028800 -67.4396 30.5212 -43.0345 30.7221 56.0793 -37.8227 -43.1708 -37.1257 18.8262 TIMING: 3028800 CPU: 9044.26, 0.00303144/step Wall: 9044.26, 0.00303144/step, 1.65988 hours remaining, 206.027344 MB of memory in use. ENERGY: 3028800 740.8127 2135.5791 1942.0873 122.5156 -205796.6204 17611.0839 0.0000 0.0000 34129.3009 -149115.2408 298.0597 -183244.5417 -149021.5248 299.8115 -223.9642 -191.7509 557233.9965 2.3224 2.4887 PRESSURE: 3029000 -96.3463 8.57846 126.404 8.57825 -261.718 -84.1068 126.406 -84.1058 -175.182 GPRESSURE: 3029000 -76.8069 92.3928 95.4855 -111.238 -262.045 -174.922 184.929 -103.752 -103.023 PRESSAVG: 3029000 -17.4485 -50.0737 -37.4015 -50.0736 -8.73336 -30.2647 -37.4015 -30.2646 60.3029 GPRESSAVG: 3029000 -17.7528 -49.5252 -38.1695 -48.5143 -9.85549 -27.668 -36.1296 -31.9114 61.5304 TIMING: 3029000 CPU: 9044.87, 0.00305081/step Wall: 9044.87, 0.00305081/step, 1.67032 hours remaining, 206.027344 MB of memory in use. ENERGY: 3029000 747.2024 2065.1677 1955.7717 115.0360 -205997.9622 17692.3874 0.0000 0.0000 34497.0474 -148925.3496 301.2713 -183422.3970 -148828.3684 300.0439 -177.7487 -147.2917 558352.1278 11.3737 11.3074 PRESSURE: 3029200 -191.263 -217.691 68.324 -217.693 -1.71804 -88.9229 68.3233 -88.9222 36.1513 GPRESSURE: 3029200 -200.862 -184.558 59.3986 -201.255 47.1226 -109.652 43.8698 -111.188 91.8432 PRESSAVG: 3029200 -98.5819 -90.0738 70.9437 -90.0738 40.6992 -59.4383 70.9437 -59.4383 67.824 GPRESSAVG: 3029200 -98.9327 -91.6327 71.0639 -91.7441 41.8025 -59.1955 72.2707 -59.0257 66.9568 TIMING: 3029200 CPU: 9045.48, 0.00301459/step Wall: 9045.48, 0.00301459/step, 1.65032 hours remaining, 206.027344 MB of memory in use. ENERGY: 3029200 737.6423 2115.8536 1975.2696 112.3108 -205954.0605 17709.2327 0.0000 0.0000 34387.2124 -148916.5393 300.3121 -183303.7517 -148821.1577 300.8915 -52.2767 -20.6322 560586.1164 3.3138 3.2755 PRESSURE: 3029400 159.158 -123.71 -97.9302 -123.709 250.39 -4.00367 -97.9311 -4.0046 79.1342 GPRESSURE: 3029400 176.338 -134.449 -178.614 -113.099 286.735 79.7169 -28.441 -46.6977 118.079 PRESSAVG: 3029400 -58.6691 -64.8952 44.3239 -64.8952 17.6996 -17.4979 44.3238 -17.4979 32.4058 GPRESSAVG: 3029400 -58.332 -65.0668 45.2867 -64.5471 16.865 -20.3854 42.61 -15.6882 32.6418 TIMING: 3029400 CPU: 9046.08, 0.0030414/step Wall: 9046.08, 0.0030414/step, 1.66483 hours remaining, 206.027344 MB of memory in use. ENERGY: 3029400 733.1797 2155.9367 1937.9832 109.8633 -206411.9282 18112.5144 0.0000 0.0000 34157.4193 -149205.0316 298.3052 -183362.4509 -149110.5708 300.0893 162.8939 193.7172 557058.6077 -2.8546 -2.9417 PRESSURE: 3029600 -175.372 -34.5096 -55.0721 -34.5083 -254.313 -4.34221 -55.0725 -4.34196 146.715 GPRESSURE: 3029600 -85.8343 21.4914 -120.212 -143.339 -267.645 3.35046 -68.1616 -47.7272 163.142 PRESSAVG: 3029600 -8.11526 12.3607 -20.9393 12.3607 -30.0463 -36.4579 -20.9393 -36.4581 61.5929 GPRESSAVG: 3029600 -7.84282 13.395 -22.2625 12.227 -30.0159 -38.8229 -20.8255 -38.1024 61.6305 TIMING: 3029600 CPU: 9046.69, 0.00303176/step Wall: 9046.69, 0.00303176/step, 1.65938 hours remaining, 206.027344 MB of memory in use. ENERGY: 3029600 755.7023 2078.6185 1960.2319 123.0765 -206485.6114 17815.8975 0.0000 0.0000 34311.8797 -149440.2051 299.6542 -183752.0847 -149343.9089 298.6739 -94.3237 -63.4458 556875.2799 7.8105 7.9239 PRESSURE: 3029800 -72.5518 -13.1489 -89.0826 -13.15 -207.537 -56.4183 -89.0818 -56.4181 -161.065 GPRESSURE: 3029800 -56.8229 -37.5959 -42.1258 -2.65347 -166.632 -53.8532 -70.98 -142.743 -119.557 PRESSAVG: 3029800 23.127 -13.4893 -38.1049 -13.4894 7.59299 19.1928 -38.1048 19.1928 27.3627 GPRESSAVG: 3029800 22.4304 -12.8207 -38.3529 -14.5659 7.97792 22.6273 -38.1991 20.3385 27.8789 TIMING: 3029800 CPU: 9047.29, 0.00299504/step Wall: 9047.29, 0.00299504/step, 1.63912 hours remaining, 206.027344 MB of memory in use. ENERGY: 3029800 751.2072 2073.4099 1936.5421 110.2493 -206010.5065 17393.8017 0.0000 0.0000 34310.2950 -149435.0013 299.6403 -183745.2963 -149330.7583 298.9510 -147.0511 -114.3371 557511.4290 19.3609 19.4291 PRESSURE: 3030000 -162.267 -15.5576 -120.215 -15.5568 36.8125 -42.7033 -120.215 -42.7013 8.32379 GPRESSURE: 3030000 -148.106 109.841 -120.857 -68.9694 80.3978 -150.517 -87.0961 -48.0617 52.4404 PRESSAVG: 3030000 43.3594 14.3348 29.3421 14.3347 -20.8189 -28.956 29.3422 -28.9561 -40.6086 GPRESSAVG: 3030000 43.7192 14.0422 31.7921 15.13 -20.3396 -26.6067 28.1714 -30.5663 -41.9667 TIMING: 3030000 CPU: 9047.89, 0.00298473/step Wall: 9047.89, 0.00298473/step, 1.63331 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: 3030000 755.1708 2052.2551 1949.4524 108.4879 -206484.9169 17894.5179 0.0000 0.0000 34342.5095 -149382.5232 299.9217 -183725.0328 -149280.2636 299.3799 -39.0434 -5.0894 557470.8521 -6.0227 -6.1957 PRESSURE: 3030200 13.8007 213.44 -62.4051 213.44 -61.5656 -159.774 -62.4057 -159.774 -87.3863 GPRESSURE: 3030200 17.2067 194.074 -126.489 247.147 -46.7621 -124.851 -107.221 -133.747 0.512015 PRESSAVG: 3030200 40.5191 65.2731 13.3714 65.2731 44.1863 -26.3097 13.3713 -26.3096 -36.5046 GPRESSAVG: 3030200 39.8041 63.8932 12.041 65.9621 44.5417 -28.6513 14.3548 -25.912 -36.2101 TIMING: 3030200 CPU: 9048.49, 0.00299233/step Wall: 9048.49, 0.00299233/step, 1.6373 hours remaining, 206.027344 MB of memory in use. ENERGY: 3030200 751.4383 2089.3784 1944.3958 114.0118 -206496.7202 17829.0351 0.0000 0.0000 34276.2731 -149492.1877 299.3432 -183768.4608 -149396.5553 299.3214 -45.0504 -9.6811 558570.3464 16.0669 16.0452 PRESSURE: 3030400 -42.1941 25.3748 230.933 25.3731 -175.81 -20.712 230.933 -20.7132 -345.763 GPRESSURE: 3030400 62.9605 -7.81126 153.876 35.5115 -191.805 -12.2597 247.932 14.0905 -334.469 PRESSAVG: 3030400 2.88525 64.0102 53.3293 64.0101 -12.932 11.9508 53.3293 11.9508 -17.4661 GPRESSAVG: 3030400 2.98316 65.55 52.7346 63.3694 -14.4778 11.8777 55.6811 13.6395 -16.9618 TIMING: 3030400 CPU: 9049.09, 0.00300204/step Wall: 9049.09, 0.00300204/step, 1.64245 hours remaining, 206.027344 MB of memory in use. ENERGY: 3030400 748.1094 2107.4215 1952.6070 97.0634 -206376.7341 17638.4308 0.0000 0.0000 34296.4263 -149536.6758 299.5192 -183833.1021 -149452.1864 298.4324 -187.9224 -154.4380 558409.4371 -9.1709 -9.4855 PRESSURE: 3030600 22.671 -191.785 -125.624 -191.785 -56.6696 73.3858 -125.624 73.3859 324.742 GPRESSURE: 3030600 74.1955 -140.076 -132.904 -263.221 -41.8087 41.0613 -88.3495 66.5876 356.444 PRESSAVG: 3030600 21.3586 -51.1751 -35.2404 -51.1751 1.17137 47.9784 -35.2404 47.9784 -6.13996 GPRESSAVG: 3030600 20.6117 -51.1762 -35.9041 -51.7874 2.25813 46.3325 -35.0343 47.5077 -6.51222 TIMING: 3030600 CPU: 9049.69, 0.00301902/step Wall: 9049.69, 0.00301902/step, 1.65157 hours remaining, 206.027344 MB of memory in use. ENERGY: 3030600 750.6048 2129.8316 1948.9442 113.3304 -206385.3841 17955.9576 0.0000 0.0000 34328.7735 -149157.9420 299.8017 -183486.7154 -149061.3951 298.8794 96.9144 129.6104 558188.1622 5.4633 5.4525 PRESSURE: 3030800 -129.518 37.581 -132.774 37.58 50.8477 250.655 -132.774 250.654 -74.81 GPRESSURE: 3030800 -61.6081 30.772 -27.542 117.295 10.4899 217.875 -153.847 220.429 -19.9764 PRESSAVG: 3030800 2.3897 23.7766 -40.7697 23.7765 28.8852 26.1726 -40.7697 26.1726 4.65747 GPRESSAVG: 3030800 3.91482 21.9734 -39.614 27.7397 27.8665 26.1149 -41.4273 25.0129 4.25015 TIMING: 3030800 CPU: 9050.29, 0.00301506/step Wall: 9050.29, 0.00301506/step, 1.64924 hours remaining, 206.027344 MB of memory in use. ENERGY: 3030800 737.7570 2066.3729 1949.4077 106.8760 -206264.1230 17869.7513 0.0000 0.0000 34162.6531 -149371.3050 298.3509 -183533.9581 -149276.4642 299.0155 -51.1602 -23.6982 557277.1687 11.9775 12.0105 PRESSURE: 3031000 61.9745 86.0218 48.9291 86.0221 21.2462 -69.9398 48.9308 -69.9401 63.8577 GPRESSURE: 3031000 102.537 84.5703 61.5951 92.3835 105.8 -8.48692 -90.9291 -90.2061 39.4974 PRESSAVG: 3031000 -0.338069 57.7916 31.4259 57.7916 36.0576 26.6711 31.426 26.6712 -56.8756 GPRESSAVG: 3031000 -0.233529 54.9878 31.401 58.5824 37.0179 27.3458 28.4489 28.521 -57.4728 TIMING: 3031000 CPU: 9050.89, 0.0030032/step Wall: 9050.89, 0.0030032/step, 1.64259 hours remaining, 206.027344 MB of memory in use. ENERGY: 3031000 741.8787 2091.7263 1939.8644 104.6317 -206480.2293 17950.1943 0.0000 0.0000 34302.8814 -149349.0526 299.5756 -183651.9340 -149251.0220 298.3335 49.0261 82.6115 556486.6258 -7.0520 -6.8962 PRESSURE: 3031200 139.226 -41.2865 -36.4528 -41.2869 -141.545 -46.5803 -36.4517 -46.5808 -73.8304 GPRESSURE: 3031200 142.616 -54.6253 -40.0429 -30.7152 -69.2394 -53.7641 1.96424 -24.1623 -55.6945 PRESSAVG: 3031200 -10.1851 -30.944 43.8988 -30.944 42.508 13.4064 43.8989 13.4064 -28.6449 GPRESSAVG: 3031200 -10.4947 -27.3565 43.0316 -33.9717 40.917 16.3042 44.6169 9.30287 -27.4875 TIMING: 3031200 CPU: 9051.49, 0.00300568/step Wall: 9051.49, 0.00300568/step, 1.64377 hours remaining, 206.027344 MB of memory in use. ENERGY: 3031200 763.4688 2061.3525 1943.6402 103.5612 -206243.4860 17680.4195 0.0000 0.0000 34225.5746 -149465.4693 298.9005 -183691.0438 -149361.7931 298.6517 -25.3831 5.8942 556694.6257 1.2260 0.9783 PRESSURE: 3031400 -121.725 -7.50618 16.0694 -7.50613 50.7742 -73.8524 16.0691 -73.8544 -122.356 GPRESSURE: 3031400 -76.8193 -10.3121 17.2767 -32.7055 67.8648 -53.2051 45.6677 -153.313 -87.8426 PRESSAVG: 3031400 2.19051 54.789 38.0568 54.7891 19.1818 -25.7378 38.0567 -25.7379 -58.6815 GPRESSAVG: 3031400 2.21423 55.2163 39.1098 53.6022 20.1985 -28.059 37.4044 -23.0698 -59.5512 TIMING: 3031400 CPU: 9052.09, 0.00299581/step Wall: 9052.09, 0.00299581/step, 1.63821 hours remaining, 206.027344 MB of memory in use. ENERGY: 3031400 755.9335 2130.4362 1946.9088 98.8528 -206073.5528 17515.7994 0.0000 0.0000 34098.5507 -149527.0714 297.7911 -183625.6222 -149431.0125 298.0305 -64.4356 -32.2657 555351.7617 -12.4364 -12.3795 PRESSURE: 3031600 68.0276 -55.8806 122.767 -55.8812 -48.9847 -81.9747 122.765 -81.9742 -285.337 GPRESSURE: 3031600 105.519 -10.6072 106.533 -46.7502 -8.48353 -88.7914 162.092 -87.1396 -257.77 PRESSAVG: 3031600 42.4 7.67257 46.3942 7.67254 -39.1879 -80.2972 46.3942 -80.2973 -20.2033 GPRESSAVG: 3031600 41.0356 6.78633 45.8526 8.3292 -38.3154 -81.0312 47.7836 -79.3603 -20.146 TIMING: 3031600 CPU: 9052.7, 0.00302598/step Wall: 9052.7, 0.00302598/step, 1.65454 hours remaining, 206.027344 MB of memory in use. ENERGY: 3031600 756.2144 2062.9701 1908.5328 107.1168 -206264.4492 17755.1176 0.0000 0.0000 34034.1262 -149640.3713 297.2285 -183674.4975 -149547.7080 297.4444 -88.7647 -53.5782 556900.0436 -5.6637 -5.8086 PRESSURE: 3031800 -40.1178 147.372 26.273 147.373 211.737 -183.652 26.2732 -183.652 90.4427 GPRESSURE: 3031800 -22.2716 77.84 63.4349 205.254 301.404 -162.692 -35.5173 -249.439 74.7701 PRESSAVG: 3031800 7.17602 6.01807 17.5309 6.01803 -1.71534 -19.0421 17.531 -19.0422 31.0224 GPRESSAVG: 3031800 7.81521 6.38447 17.9 6.22527 -3.34895 -19.8091 17.3009 -19.34 32.1869 TIMING: 3031800 CPU: 9053.31, 0.0030626/step Wall: 9053.31, 0.0030626/step, 1.67439 hours remaining, 206.027344 MB of memory in use. ENERGY: 3031800 694.8601 2135.4543 1963.8359 123.9423 -206472.0385 17969.0856 0.0000 0.0000 34050.4561 -149534.4042 297.3711 -183584.8603 -149447.2706 298.2403 87.3540 117.9676 558272.0146 12.1610 12.2177 PRESSURE: 3032000 -120.386 46.3782 26.4375 46.3778 -88.8936 88.519 26.4362 88.5175 20.3945 GPRESSURE: 3032000 -69.0277 16.9768 -16.6462 57.8198 -59.3527 70.7637 49.5391 66.5179 34.1229 PRESSAVG: 3032000 -14.7423 -4.91194 43.2568 -4.91195 -0.895676 12.3972 43.2568 12.3973 -20.6212 GPRESSAVG: 3032000 -15.001 -5.07169 43.8446 -5.45935 -0.384209 14.5638 42.2455 10.3191 -21.6253 TIMING: 3032000 CPU: 9053.92, 0.00301787/step Wall: 9053.92, 0.00301787/step, 1.64977 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: 3032000 730.0761 2090.9692 1924.4483 113.7433 -206240.5424 17679.9679 0.0000 0.0000 34257.9369 -149443.4008 299.1831 -183701.3377 -149348.9308 298.3401 -62.9618 -31.4192 557950.4556 -12.0864 -12.3368 PRESSURE: 3032200 -418.363 140.09 -7.60983 140.09 67.175 58.4796 -7.61041 58.4789 219.034 GPRESSURE: 3032200 -321.686 277.628 82.7659 -18.0123 49.8479 106.907 -14.5159 -2.91869 231.51 PRESSAVG: 3032200 -33.8044 -35.0786 5.56485 -35.0785 23.7361 6.63607 5.56489 6.63602 46.0718 GPRESSAVG: 3032200 -34.0175 -33.9179 6.38613 -34.9444 23.877 7.60416 6.16135 5.38477 45.9874 TIMING: 3032200 CPU: 9054.52, 0.00300764/step Wall: 9054.52, 0.00300764/step, 1.64401 hours remaining, 206.027344 MB of memory in use. ENERGY: 3032200 712.6695 2109.5627 1922.2476 97.3622 -206319.4227 17747.9816 0.0000 0.0000 34124.2036 -149605.3955 298.0152 -183729.5991 -149511.1368 298.3084 -44.0513 -13.4425 557091.2480 12.0012 11.9490 LDB: ============= START OF LOAD BALANCING ============== 9057.95 LDB: ============== END OF LOAD BALANCING =============== 9057.95 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9057.95 LDB: ============= START OF LOAD BALANCING ============== 9058.25 LDB: Largest compute 4821 load 0.030969 is 26.2% of average load 0.118111 LDB: Average compute 0.001739 is 1.5% of average load 0.118111 LDB: TIME 9058.25 LOAD: AVG 0.118111 MAX 0.204849 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.281 MB LDB: TIME 9058.25 LOAD: AVG 0.118111 MAX 0.204849 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.34 MB LDB: TIME 9058.25 LOAD: AVG 0.118111 MAX 0.204849 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.34 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9058.26 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9058.26 PRESSURE: 3032400 155.92 95.417 54.8028 95.4179 -75.47 -21.4191 54.8031 -21.4179 -125.882 GPRESSURE: 3032400 105.528 89.8605 29.9556 167.504 -36.9038 -74.2755 100.674 -63.0842 -30.4185 PRESSAVG: 3032400 -11.2835 45.0648 -36.2355 45.0647 -1.66946 1.82955 -36.2355 1.82959 49.7954 GPRESSAVG: 3032400 -10.0182 45.218 -38.7296 44.5642 -2.52296 -2.91481 -35.8302 5.21927 49.4354 TIMING: 3032400 CPU: 9055.13, 0.00306611/step Wall: 9055.13, 0.00306611/step, 1.6758 hours remaining, 207.109375 MB of memory in use. ENERGY: 3032400 724.6071 2135.5714 1966.9179 112.9606 -206934.8581 17990.7122 0.0000 0.0000 34353.5745 -149650.5144 300.0183 -184004.0889 -149548.7846 298.2906 -15.1438 12.7351 558148.3559 12.2808 12.2981 PRESSURE: 3032600 -227.951 89.6434 -23.3011 89.6431 -187.45 109.08 -23.3016 109.081 -275.748 GPRESSURE: 3032600 -184.856 99.5121 -91.928 57.3431 -174.361 114.488 -75.4186 46.9506 -227.113 PRESSAVG: 3032600 4.91973 48.4511 -60.0569 48.4511 -6.92156 43.2344 -60.0569 43.2344 45.3812 GPRESSAVG: 3032600 4.29881 48.8584 -60.7925 48.9494 -6.61687 47.651 -58.3562 43.013 45.8373 TIMING: 3032600 CPU: 9055.73, 0.00299574/step Wall: 9055.73, 0.00299574/step, 1.63717 hours remaining, 207.109375 MB of memory in use. ENERGY: 3032600 740.9276 2130.9585 1955.1270 111.9043 -206517.8353 17543.4730 0.0000 0.0000 34225.4953 -149809.9497 298.8998 -184035.4450 -149717.0931 298.0865 -230.3831 -195.4432 556904.6836 14.4598 14.5064 PRESSURE: 3032800 139.325 -102.908 95.8064 -102.908 -136.948 -22.8313 95.8063 -22.8313 209.215 GPRESSURE: 3032800 185.85 -86.643 -5.37321 -116.81 -148.128 -49.0773 215.212 31.0839 262.988 PRESSAVG: 3032800 27.3565 -2.44612 4.06078 -2.44618 -58.9736 6.09278 4.06071 6.09274 31.1062 GPRESSAVG: 3032800 27.4075 -3.03483 3.99904 -1.81381 -58.5262 5.1076 3.88912 3.36003 30.7941 TIMING: 3032800 CPU: 9056.33, 0.00301651/step Wall: 9056.33, 0.00301651/step, 1.64835 hours remaining, 207.109375 MB of memory in use. ENERGY: 3032800 738.3221 2119.1327 1946.6957 111.7994 -206804.2837 17920.0732 0.0000 0.0000 34194.9955 -149773.2652 298.6334 -183968.2606 -149685.2262 298.0865 70.5306 100.2368 555105.9953 -0.1703 -0.1082 PRESSURE: 3033000 -120.765 -136.1 96.6286 -136.102 -154.032 -44.8501 96.6283 -44.8501 -91.2904 GPRESSURE: 3033000 -49.3404 -146.381 164.934 -65.7077 -167.136 66.718 67.1303 -123.522 -56.9308 PRESSAVG: 3033000 -4.08796 -13.9015 48.9592 -13.9015 -87.7298 -3.56506 48.9592 -3.56509 91.1567 GPRESSAVG: 3033000 -4.337 -13.9614 49.6439 -12.5505 -87.1748 -4.49464 47.1148 -0.359305 91.638 TIMING: 3033000 CPU: 9056.93, 0.00301278/step Wall: 9056.93, 0.00301278/step, 1.64615 hours remaining, 207.109375 MB of memory in use. ENERGY: 3033000 736.9509 2076.8341 1949.4210 112.2329 -206464.8061 17765.1209 0.0000 0.0000 34212.2669 -149611.9793 298.7842 -183824.2462 -149509.4432 298.8464 -122.0291 -91.1356 556532.9104 -0.2203 0.0421 PRESSURE: 3033200 -142.502 55.8656 7.42093 55.8656 -112.855 -117.19 7.42175 -117.19 -263.19 GPRESSURE: 3033200 -76.1205 54.9858 98.7818 -3.53048 -133.262 -48.7208 -132.359 -178.514 -193.148 PRESSAVG: 3033200 -29.7832 -39.7862 -25.2514 -39.7862 42.705 18.4708 -25.2513 18.4707 63.7357 GPRESSAVG: 3033200 -29.5941 -39.0803 -24.6386 -41.9545 42.0947 19.2975 -25.9379 15.8221 63.7113 TIMING: 3033200 CPU: 9057.54, 0.00300277/step Wall: 9057.54, 0.00300277/step, 1.64051 hours remaining, 207.109375 MB of memory in use. ENERGY: 3033200 753.8090 2095.8632 1933.6806 111.9169 -206367.4872 17670.4636 0.0000 0.0000 34268.5281 -149533.2258 299.2756 -183801.7539 -149435.4610 298.6548 -172.8490 -134.1769 555528.1291 25.5525 25.4040 PRESSURE: 3033400 260.01 -183.67 156.501 -183.67 26.9781 39.3593 156.502 39.3581 -13.4738 GPRESSURE: 3033400 284.236 -162.985 144.975 -199.493 114.952 -6.46235 140.026 49.7117 -42.4161 PRESSAVG: 3033400 30.0263 -60.4885 -22.215 -60.4885 10.8657 12.4792 -22.2151 12.4793 -52.2127 GPRESSAVG: 3033400 29.1062 -61.1111 -21.0368 -60.8372 10.6753 11.6062 -21.3552 13.6135 -51.2788 TIMING: 3033400 CPU: 9058.14, 0.00301875/step Wall: 9058.14, 0.00301875/step, 1.64908 hours remaining, 207.109375 MB of memory in use. ENERGY: 3033400 750.6320 2098.4790 1932.3641 115.4099 -206821.5476 18055.4224 0.0000 0.0000 34199.0798 -149670.1604 298.6691 -183869.2402 -149585.0846 298.6503 91.1714 118.9239 555334.0831 -3.7735 -3.8324 PRESSURE: 3033600 -109.459 83.5388 107.414 83.5382 -41.5456 -0.0127208 107.413 -0.0126916 2.13042 GPRESSURE: 3033600 -69.8578 99.634 146.37 20.8281 1.95644 77.7015 44.6972 98.178 20.0594 PRESSAVG: 3033600 16.9891 -64.8544 19.1719 -64.8544 -17.0642 -26.0539 19.1718 -26.0539 -28.7247 GPRESSAVG: 3033600 19.2229 -64.9103 18.2141 -65.3725 -17.5338 -25.402 16.3616 -25.4575 -30.4917 TIMING: 3033600 CPU: 9058.75, 0.00303058/step Wall: 9058.75, 0.00303058/step, 1.65537 hours remaining, 207.109375 MB of memory in use. ENERGY: 3033600 772.1581 2130.2046 1948.3786 101.9013 -206575.8016 17825.1990 0.0000 0.0000 34309.8913 -149488.0688 299.6368 -183797.9600 -149389.5413 298.6869 -49.6248 -15.9473 556487.1586 -9.5999 -9.6009 PRESSURE: 3033800 -197.592 21.7514 -62.3927 21.7505 -10.01 -71.2255 -62.3946 -71.2228 204.376 GPRESSURE: 3033800 -108.562 -80.975 -15.315 -4.64454 35.7841 -78.1918 -34.0779 -121.051 172.687 PRESSAVG: 3033800 -21.1349 -15.9789 -21.8146 -15.9788 -13.1187 -18.3902 -21.8146 -18.3902 47.0901 GPRESSAVG: 3033800 -22.1424 -15.3813 -21.7903 -17.5317 -13.2595 -18.8248 -19.9857 -18.2812 47.6916 TIMING: 3033800 CPU: 9059.35, 0.00302837/step Wall: 9059.35, 0.00302837/step, 1.65399 hours remaining, 207.109375 MB of memory in use. ENERGY: 3033800 755.4513 2126.3401 1931.8495 109.8202 -206143.6244 17569.5907 0.0000 0.0000 34343.3827 -149307.1899 299.9293 -183650.5726 -149218.0745 298.9369 -1.0754 33.3029 555695.3463 4.2788 4.0966 PRESSURE: 3034000 -61.1464 -13.1755 -96.8909 -13.1769 -146.667 86.899 -96.8904 86.8974 -6.15415 GPRESSURE: 3034000 -63.8361 -5.64628 -93.4674 10.15 -130.304 133.766 -6.87474 92.8985 73.8264 PRESSAVG: 3034000 -10.807 -15.4097 -2.1204 -15.4098 17.3076 -3.93243 -2.12032 -3.93235 -1.18732 GPRESSAVG: 3034000 -10.4636 -15.7271 -3.97838 -14.1543 16.3802 -3.10169 -0.0509845 -4.25516 -0.852186 TIMING: 3034000 CPU: 9059.95, 0.0030193/step Wall: 9059.95, 0.0030193/step, 1.64888 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: 3034000 751.9936 2052.3993 1941.0264 99.5213 -206174.9410 17611.3001 0.0000 0.0000 34372.5599 -149346.1403 300.1841 -183718.7002 -149247.2252 299.0396 -71.3225 -40.1046 557043.9662 1.7711 1.6881 PRESSURE: 3034200 127.119 -123.13 40.9052 -123.13 69.6099 202.596 40.9051 202.596 26.7624 GPRESSURE: 3034200 116.412 -25.1717 110.954 -223.077 98.1747 277.938 -43.9181 191.985 93.4702 PRESSAVG: 3034200 -24.7657 -59.1035 -6.94507 -59.1035 -25.7384 13.2337 -6.94508 13.2337 74.6005 GPRESSAVG: 3034200 -25.5516 -58.1697 -6.44029 -59.0684 -24.6073 12.3776 -8.59971 13.2621 74.2931 TIMING: 3034200 CPU: 9060.56, 0.00301084/step Wall: 9060.56, 0.00301084/step, 1.64409 hours remaining, 207.109375 MB of memory in use. ENERGY: 3034200 712.3730 2100.8441 1938.9948 98.2594 -205892.1303 17678.9202 0.0000 0.0000 34036.6433 -149326.0955 297.2505 -183362.7388 -149227.1589 299.0608 74.4970 102.6855 555986.2065 8.0321 8.0447 PRESSURE: 3034400 -113.33 22.8499 36.6425 22.8501 215.021 -35.109 36.643 -35.1076 148.044 GPRESSURE: 3034400 -54.5295 5.45892 46.5377 85.3791 262.569 1.91093 10.2435 37.2906 141.099 PRESSAVG: 3034400 22.4505 41.9823 -29.0243 41.9823 9.54836 79.7141 -29.0242 79.7141 -58.2195 GPRESSAVG: 3034400 21.9543 40.9073 -27.4981 41.9883 9.12103 80.4261 -29.6958 80.8312 -57.087 TIMING: 3034400 CPU: 9061.16, 0.00299447/step Wall: 9061.16, 0.00299447/step, 1.63498 hours remaining, 207.109375 MB of memory in use. ENERGY: 3034400 731.4578 2112.3839 1941.0179 105.9460 -206439.6661 17971.2455 0.0000 0.0000 34280.1066 -149297.5084 299.3767 -183577.6150 -149200.8776 298.8936 83.2450 116.3794 557595.8412 -8.7402 -8.6705 PRESSURE: 3034600 -62.6276 -107.36 99.0256 -107.359 1.13577 19.1897 99.0249 19.191 -69.1365 GPRESSURE: 3034600 -19.2367 -151.614 45.3854 -113.07 -33.3599 97.8678 102.885 -62.5495 26.005 PRESSAVG: 3034600 -4.15498 -56.4734 -24.5814 -56.4734 35.5387 25.7736 -24.5815 25.7737 -22.9812 GPRESSAVG: 3034600 -2.44539 -56.8088 -24.5203 -57.6619 35.4285 25.9718 -23.9205 24.1274 -24.2421 TIMING: 3034600 CPU: 9061.76, 0.00300289/step Wall: 9061.76, 0.00300289/step, 1.63941 hours remaining, 207.109375 MB of memory in use. ENERGY: 3034600 714.1405 2096.7772 1942.6406 112.3491 -206078.4341 17815.7412 0.0000 0.0000 34172.3343 -149224.4511 298.4355 -183396.7854 -149122.1002 298.7943 -43.5428 -8.8639 558176.6068 2.8008 2.9137 PRESSURE: 3034800 -41.8501 -237.161 71.2014 -237.16 53.0468 92.725 71.2018 92.7249 -1.46442 GPRESSURE: 3034800 31.0813 -244.258 -8.86225 -219.726 43.3873 5.79539 100.22 111.689 46.2115 PRESSAVG: 3034800 10.4664 -66.5799 -63.5201 -66.5799 19.6306 22.0007 -63.5201 22.0006 -23.3312 GPRESSAVG: 3034800 9.43086 -68.4855 -63.7354 -65.1046 19.2347 21.2468 -63.5502 21.5055 -22.1555 TIMING: 3034800 CPU: 9062.36, 0.00301852/step Wall: 9062.36, 0.00301852/step, 1.64778 hours remaining, 207.109375 MB of memory in use. ENERGY: 3034800 738.5647 2128.2931 1928.1611 121.6483 -206299.2858 18054.0378 0.0000 0.0000 34031.0163 -149297.5645 297.2013 -183328.5808 -149198.0128 298.6976 3.2441 40.2267 558467.1750 2.2553 2.1700 PRESSURE: 3035000 -181.771 44.1859 -79.0959 44.1862 -73.9285 40.2384 -79.0953 40.2374 -53.6379 GPRESSURE: 3035000 -110.795 52.7434 -12.7435 52.631 -2.15693 53.1388 -51.0161 20.0987 -104.578 PRESSAVG: 3035000 23.3651 2.64103 -45.3644 2.641 -18.3253 23.5198 -45.3644 23.5199 -8.45768 GPRESSAVG: 3035000 23.6933 2.80491 -44.6748 2.47971 -18.9756 22.7946 -46.3536 24.0604 -9.25967 TIMING: 3035000 CPU: 9062.96, 0.00300979/step Wall: 9062.96, 0.00300979/step, 1.64284 hours remaining, 207.109375 MB of memory in use. ENERGY: 3035000 769.0267 2085.5128 1935.1744 112.6923 -206054.4206 17546.5154 0.0000 0.0000 34243.0204 -149362.4786 299.0528 -183605.4990 -149264.9698 298.6635 -103.1124 -72.5099 558500.7789 -1.1393 -1.5140 PRESSURE: 3035200 -221.301 -146.349 73.3987 -146.349 15.1954 -59.5304 73.3994 -59.5301 -94.1794 GPRESSURE: 3035200 -196.28 -90.9201 38.0633 -148.222 53.3906 -60.0012 -0.159729 -70.2908 -80.5744 PRESSAVG: 3035200 -6.75018 -3.62819 27.5714 -3.62819 26.399 -0.366545 27.5714 -0.366518 16.6906 GPRESSAVG: 3035200 -7.86808 -2.12552 24.5044 -4.02357 27.0438 0.0567175 28.8455 1.25546 16.9187 TIMING: 3035200 CPU: 9063.56, 0.00300647/step Wall: 9063.56, 0.00300647/step, 1.64087 hours remaining, 207.109375 MB of memory in use. ENERGY: 3035200 760.6693 2129.6873 1927.3002 117.8822 -206348.1473 17689.0352 0.0000 0.0000 34435.2364 -149288.3367 300.7315 -183723.5731 -149191.5683 299.3639 -100.0949 -74.4878 557509.2286 12.1131 12.0315 PRESSURE: 3035400 184.236 -57.5006 -7.19887 -57.5004 -156.635 115.139 -7.19894 115.14 -21.6717 GPRESSURE: 3035400 186.41 -23.7115 -44.0571 -79.584 -80.338 57.3167 -91.3739 200.713 -2.28001 PRESSAVG: 3035400 -43.6641 -44.7778 17.3009 -44.7778 8.72482 33.9347 17.301 33.9347 69.4038 GPRESSAVG: 3035400 -44.0287 -45.3862 19.0151 -43.7206 8.45709 33.6304 16.198 32.2288 70.2553 TIMING: 3035400 CPU: 9064.16, 0.00300425/step Wall: 9064.16, 0.00300425/step, 1.63948 hours remaining, 207.109375 MB of memory in use. ENERGY: 3035400 763.3633 2072.7936 1947.5158 103.1253 -206348.3463 17901.1617 0.0000 0.0000 34288.6031 -149271.7834 299.4509 -183560.3865 -149180.1898 299.3646 1.9766 34.5972 557471.2767 11.4882 11.5613 PRESSURE: 3035600 -96.9849 -199.574 -90.5266 -199.574 26.543 -123.088 -90.5263 -123.087 163.499 GPRESSURE: 3035600 -63.9531 -140.53 -80.0461 -232.829 84.5984 -167.8 -106.324 -169.555 181.028 PRESSAVG: 3035600 1.48789 -12.1744 -29.5946 -12.1744 -0.775596 11.1468 -29.5946 11.1468 19.6392 GPRESSAVG: 3035600 0.992095 -13.072 -29.4803 -11.4946 0.992583 10.6544 -30.4572 11.9075 18.2673 TIMING: 3035600 CPU: 9064.77, 0.0030284/step Wall: 9064.77, 0.0030284/step, 1.6525 hours remaining, 207.109375 MB of memory in use. ENERGY: 3035600 762.0568 2066.6992 1961.6988 120.5959 -206541.3980 18022.0265 0.0000 0.0000 34566.6966 -149041.6242 301.8796 -183608.3207 -148941.3968 299.2333 31.0191 67.2243 558385.1853 6.7838 6.7507 PRESSURE: 3035800 87.4407 -91.8182 10.2726 -91.8179 131.333 -105.772 10.2714 -105.772 -279.894 GPRESSURE: 3035800 68.6196 -10.2581 -77.7641 -117.414 137.452 -65.5313 -0.375539 -170.54 -163.688 PRESSAVG: 3035800 -5.3085 -14.5429 2.70975 -14.5429 -20.3831 -31.5575 2.70975 -31.5575 5.30245 GPRESSAVG: 3035800 -4.34177 -13.5365 3.65802 -15.1306 -21.778 -30.1151 4.7208 -32.8537 5.67606 TIMING: 3035800 CPU: 9065.38, 0.00303735/step Wall: 9065.38, 0.00303735/step, 1.65721 hours remaining, 207.109375 MB of memory in use. ENERGY: 3035800 723.5899 2089.5228 1909.9733 110.1632 -205999.2340 17614.7697 0.0000 0.0000 34375.0679 -149176.1471 300.2060 -183551.2150 -149075.5510 299.3049 -20.3736 14.1277 558642.3682 -6.7964 -6.8146 PRESSURE: 3036000 -213.783 190.187 -198.216 190.186 -216.269 17.4018 -198.216 17.4009 10.7633 GPRESSURE: 3036000 -162.822 280.136 -235.296 50.5731 -173.634 102.033 -212.51 70.906 16.3339 PRESSAVG: 3036000 -35.9738 -11.0265 24.1221 -11.0266 64.8596 -29.1082 24.122 -29.1082 -9.508 GPRESSAVG: 3036000 -36.9786 -12.6911 22.8584 -13.3876 65.382 -28.4982 24.2257 -28.7108 -8.7901 TIMING: 3036000 CPU: 9065.99, 0.00305436/step Wall: 9065.99, 0.00305436/step, 1.66632 hours remaining, 207.312500 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: 3036000 780.1736 2082.0470 1932.1836 122.3377 -206072.2432 17757.4330 0.0000 0.0000 34223.6932 -149174.3752 298.8840 -183398.0684 -149085.8284 299.8021 -139.7626 -106.7074 558893.3466 6.4593 6.5378 PRESSURE: 3036200 77.9212 -62.0681 -216.468 -62.0684 -427.529 -126.59 -216.469 -126.59 246.481 GPRESSURE: 3036200 155.433 -57.9182 -163.633 -7.20552 -388.83 -203.11 -217.41 -94.6535 233.036 PRESSAVG: 3036200 -23.4107 19.0695 21.4285 19.0695 -22.9509 -0.881907 21.4285 -0.881981 28.8983 GPRESSAVG: 3036200 -21.5336 21.576 22.5011 20.5342 -23.0165 -1.24545 21.7032 0.948782 27.1765 TIMING: 3036200 CPU: 9066.6, 0.00304394/step Wall: 9066.6, 0.00304393/step, 1.66047 hours remaining, 207.312500 MB of memory in use. ENERGY: 3036200 773.2721 2126.9007 1932.2136 115.5543 -206291.9469 17854.2468 0.0000 0.0000 34129.4820 -149360.2774 298.0613 -183489.7594 -149266.1735 299.4322 -34.3756 -0.1206 558477.9146 -5.8211 -5.7912 LDB: ============= START OF LOAD BALANCING ============== 9070.03 LDB: ============== END OF LOAD BALANCING =============== 9070.03 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9070.03 LDB: ============= START OF LOAD BALANCING ============== 9070.34 LDB: Largest compute 4820 load 0.031107 is 26.4% of average load 0.118004 LDB: Average compute 0.001731 is 1.5% of average load 0.118004 LDB: TIME 9070.34 LOAD: AVG 0.118004 MAX 0.208675 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.016 MB LDB: TIME 9070.34 LOAD: AVG 0.118004 MAX 0.208675 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.016 MB LDB: TIME 9070.34 LOAD: AVG 0.118004 MAX 0.208675 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.016 MB LDB: ============== END OF LOAD BALANCING =============== 9070.35 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9070.35 PRESSURE: 3036400 265.004 -126.633 180.691 -126.632 -113.512 40.8273 180.691 40.8258 45.5386 GPRESSURE: 3036400 251.982 -157.52 156.296 -39.5807 -89.4622 112.881 149.37 -25.4043 136.111 PRESSAVG: 3036400 -36.007 -36.0347 0.21241 -36.0347 -10.3037 -29.3312 0.212351 -29.3311 57.3523 GPRESSAVG: 3036400 -36.7598 -36.2332 -0.590093 -35.0164 -10.2252 -30.1379 0.225423 -29.8629 58.1579 TIMING: 3036400 CPU: 9067.22, 0.00311299/step Wall: 9067.22, 0.00311299/step, 1.69796 hours remaining, 206.957031 MB of memory in use. ENERGY: 3036400 697.4461 2135.4881 1925.5603 118.7359 -206489.6669 17983.5388 0.0000 0.0000 34252.0091 -149376.8886 299.1313 -183628.8976 -149285.8155 298.9269 65.6769 99.5434 557717.3078 3.6805 3.7243 PRESSURE: 3036600 -292.212 -39.5185 156.133 -39.5184 -315.35 57.1654 156.134 57.1662 -203.53 GPRESSURE: 3036600 -230.599 -46.2679 91.2411 16.8518 -345.546 52.055 228.583 67.2269 -131.598 PRESSAVG: 3036600 -36.9952 -46.7491 59.0111 -46.7491 16.6252 0.254934 59.0111 0.254803 51.559 GPRESSAVG: 3036600 -36.8617 -45.2298 58.1204 -48.5025 17.0428 -1.58136 58.5378 1.47704 51.7725 TIMING: 3036600 CPU: 9067.83, 0.00307446/step Wall: 9067.83, 0.00307446/step, 1.67678 hours remaining, 206.957031 MB of memory in use. ENERGY: 3036600 772.6013 2055.7031 1950.4358 114.5189 -205657.8814 17419.9287 0.0000 0.0000 34133.8413 -149210.8522 298.0993 -183344.6935 -149119.9604 299.2160 -270.3638 -235.9143 557659.4966 10.3963 10.6512 PRESSURE: 3036800 -255.865 58.9205 -38.1342 58.9205 47.5386 19.7538 -38.1341 19.7538 -31.1694 GPRESSURE: 3036800 -253.16 67.9184 22.8571 73.8661 147.534 -0.43422 -78.5011 28.9603 -36.8128 PRESSAVG: 3036800 -59.0732 55.8141 22.8735 55.8141 11.8312 18.0954 22.8736 18.0954 48.4191 GPRESSAVG: 3036800 -59.48 55.7548 24.7012 55.4734 11.4084 18.6374 22.4421 15.5981 48.5252 TIMING: 3036800 CPU: 9068.44, 0.0030444/step Wall: 9068.44, 0.00304439/step, 1.66021 hours remaining, 206.957031 MB of memory in use. ENERGY: 3036800 722.1004 2072.0700 1924.9688 117.9173 -206017.2530 17641.5136 0.0000 0.0000 34195.7576 -149342.9255 298.6401 -183538.6830 -149248.8168 298.4217 -79.8318 -47.4799 557324.3308 0.3924 0.1512 PRESSURE: 3037000 -311.349 -45.2625 -5.45772 -45.2608 -92.6586 52.1369 -5.457 52.1372 -189.954 GPRESSURE: 3037000 -270.763 -61.7738 -41.7841 -31.0875 -27.2625 29.0998 -23.4734 114.198 -188.224 PRESSAVG: 3037000 -111.142 30.9499 29.6534 30.9499 47.6548 -0.836093 29.6535 -0.836171 50.0154 GPRESSAVG: 3037000 -110.404 28.9026 28.0413 31.7118 47.6618 -1.09731 29.3568 1.19723 48.935 TIMING: 3037000 CPU: 9069.05, 0.00303991/step Wall: 9069.05, 0.00303991/step, 1.65759 hours remaining, 206.957031 MB of memory in use. ENERGY: 3037000 758.1263 2031.7202 1941.6275 117.6893 -206079.3623 17609.2501 0.0000 0.0000 34133.3681 -149487.5809 298.0952 -183620.9490 -149390.0686 298.1279 -197.9870 -162.0831 558036.7009 -4.4908 -4.6023 PRESSURE: 3037200 -120.93 -19.8688 -100.935 -19.8677 43.4301 -14.436 -100.935 -14.4363 -187.394 GPRESSURE: 3037200 -113.118 -28.7238 -96.108 -70.8393 102.01 52.3196 -97.0051 -23.2185 -165.265 PRESSAVG: 3037200 -60.483 27.7932 51.0904 27.7933 32.2428 13.6314 51.0903 13.6313 10.5103 GPRESSAVG: 3037200 -61.9166 28.6221 50.6517 28.6699 32.0563 14.6195 53.5604 14.0639 11.6228 TIMING: 3037200 CPU: 9069.66, 0.00304585/step Wall: 9069.66, 0.00304585/step, 1.66067 hours remaining, 207.027344 MB of memory in use. ENERGY: 3037200 750.6603 2077.3463 1927.8540 117.5046 -206499.8122 17617.6096 0.0000 0.0000 34205.1323 -149803.7051 298.7219 -184008.8374 -149708.6969 298.5866 -88.2979 -58.7907 554943.3025 -5.9100 -6.0792 PRESSURE: 3037400 -33.9111 67.9351 -62.4169 67.9355 195.656 224.569 -62.4158 224.569 77.7982 GPRESSURE: 3037400 24.2571 91.7342 -9.47988 119.341 202.44 173.978 -130.748 238.364 108.187 PRESSAVG: 3037400 -28.0752 65.4348 3.73653 65.4348 14.5844 28.8977 3.73654 28.8978 76.3858 GPRESSAVG: 3037400 -27.4254 65.3546 4.8665 65.9668 13.3972 29.4816 1.7902 26.8009 76.929 TIMING: 3037400 CPU: 9070.27, 0.00304019/step Wall: 9070.27, 0.00304019/step, 1.65741 hours remaining, 207.027344 MB of memory in use. ENERGY: 3037400 716.1008 2051.1969 1919.5716 104.9896 -207015.5343 18232.2196 0.0000 0.0000 34222.8200 -149768.6358 298.8764 -183991.4558 -149670.2541 298.4117 79.8476 111.6278 557697.7486 20.9650 20.9669 PRESSURE: 3037600 50.2936 120.364 -58.7575 120.364 -335.451 4.98568 -58.7579 4.98506 -79.38 GPRESSURE: 3037600 36.0702 136.722 -43.9485 165.805 -270.629 0.0600063 -39.8705 49.1709 -36.4078 PRESSAVG: 3037600 -33.6875 1.26033 -13.9063 1.26023 39.2683 13.8464 -13.9063 13.8463 35.5919 GPRESSAVG: 3037600 -34.304 1.27979 -13.9429 1.15703 40.6704 12.8186 -14.0045 16.4843 34.8918 TIMING: 3037600 CPU: 9070.88, 0.00303411/step Wall: 9070.88, 0.00303411/step, 1.65393 hours remaining, 207.027344 MB of memory in use. ENERGY: 3037600 739.0194 2112.9698 1950.7839 108.7754 -206729.3355 17869.5984 0.0000 0.0000 34034.8934 -149913.2951 297.2352 -183948.1885 -149819.8290 297.6602 -121.5124 -90.3222 558569.9996 13.7242 13.7527 PRESSURE: 3037800 -36.7323 -20.59 -193.854 -20.5897 34.5326 -91.674 -193.854 -91.6721 -257.988 GPRESSURE: 3037800 -40.291 7.83969 -83.8546 -50.0418 24.9683 -84.6293 -172.227 -16.4845 -148.923 PRESSAVG: 3037800 30.2033 -19.5479 -27.3369 -19.5479 -50.7965 72.2001 -27.3369 72.2002 2.24766 GPRESSAVG: 3037800 30.2079 -20.4713 -26.7231 -19.824 -50.9546 70.4186 -27.1097 72.8498 1.59138 TIMING: 3037800 CPU: 9071.49, 0.00306735/step Wall: 9071.49, 0.00306735/step, 1.67188 hours remaining, 207.027344 MB of memory in use. ENERGY: 3037800 752.9045 2111.4700 1930.0490 108.7074 -206476.3169 17809.1709 0.0000 0.0000 34039.4914 -149724.5237 297.2753 -183764.0151 -149627.8877 297.1738 -86.7292 -54.7487 557157.6599 -6.1152 -6.3851 PRESSURE: 3038000 -200.948 -1.80488 72.948 -1.80483 -63.0917 -59.05 72.9486 -59.0514 -212.168 GPRESSURE: 3038000 -140.052 44.1181 147.563 -139.428 -8.70636 -77.9222 -3.28701 -39.1833 -239.107 PRESSAVG: 3038000 26.298 3.16273 -31.4565 3.16283 -39.5913 -0.548 -31.4566 -0.548061 23.1253 GPRESSAVG: 3038000 26.3096 5.54793 -30.5932 0.172715 -39.8784 1.58256 -33.0751 -2.17409 23.3251 TIMING: 3038000 CPU: 9072.1, 0.00306244/step Wall: 9072.1, 0.00306244/step, 1.66903 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: 3038000 751.2815 2098.7479 1939.8595 117.2406 -206483.5154 17760.8455 0.0000 0.0000 33902.0770 -149913.4634 296.0753 -183815.5403 -149812.8526 297.4834 -158.7359 -129.2885 558167.7698 3.2773 3.2521 PRESSURE: 3038200 113.358 -35.5966 151.107 -35.5971 -166.286 -31.7747 151.11 -31.7754 39.8662 GPRESSURE: 3038200 92.5673 -110.629 36.7694 36.6342 -94.4444 45.4575 164.426 -84.2513 95.5846 PRESSAVG: 3038200 18.3425 8.13217 9.9663 8.13207 10.0043 20.6296 9.96641 20.6297 -50.0602 GPRESSAVG: 3038200 17.8488 4.49757 7.835 11.1793 10.8352 21.0087 12.6848 20.5465 -50.1278 TIMING: 3038200 CPU: 9072.71, 0.00303433/step Wall: 9072.71, 0.00303433/step, 1.65354 hours remaining, 207.027344 MB of memory in use. ENERGY: 3038200 733.6917 2130.9987 1946.8418 114.1829 -206910.5810 18061.2837 0.0000 0.0000 34093.6453 -149829.9370 297.7483 -183923.5822 -149730.0133 297.6379 -4.3537 31.2358 556313.5427 -7.2378 -7.1479 PRESSURE: 3038400 205.196 31.9946 72.3144 31.9947 -151.959 -178.489 72.3146 -178.49 303.019 GPRESSURE: 3038400 246.957 90.9625 35.8394 22.9898 -109.356 -123.998 -12.1861 -240.855 299.206 PRESSAVG: 3038400 -21.6466 -19.7824 61.6171 -19.7823 -0.0326043 12.8119 61.6172 12.8119 51.1848 GPRESSAVG: 3038400 -21.5983 -16.4126 62.1962 -21.5263 -0.644001 13.9661 58.7496 13.0886 51.4578 TIMING: 3038400 CPU: 9073.31, 0.00303169/step Wall: 9073.31, 0.00303169/step, 1.65194 hours remaining, 207.027344 MB of memory in use. ENERGY: 3038400 742.2862 2109.8100 1931.3798 109.6952 -207039.8809 18043.2967 0.0000 0.0000 34366.1513 -149737.2616 300.1281 -184103.4129 -149637.7658 298.1422 118.7519 145.6024 556403.6573 9.8352 9.7385 PRESSURE: 3038600 -72.4141 20.0151 -70.5384 20.0159 -437.932 -139.133 -70.5381 -139.132 -78.3208 GPRESSURE: 3038600 -76.944 62.0434 -85.4421 -43.1361 -396.216 -147.42 2.68823 -149.52 -28.3575 PRESSAVG: 3038600 6.9889 20.8935 -15.6889 20.8935 -60.4791 36.4836 -15.6889 36.4836 29.1066 GPRESSAVG: 3038600 6.20568 18.9937 -16.0092 21.146 -60.8551 35.9679 -12.9657 36.6171 30.0227 TIMING: 3038600 CPU: 9073.93, 0.00305729/step Wall: 9073.93, 0.00305729/step, 1.66571 hours remaining, 207.027344 MB of memory in use. ENERGY: 3038600 727.8201 2143.3995 1939.9396 109.6082 -206088.4515 17461.5615 0.0000 0.0000 33947.8446 -149758.2778 296.4750 -183706.1224 -149668.4237 298.0661 -196.2223 -167.1724 557718.5736 -8.1279 -8.2089 PRESSURE: 3038800 -73.5604 21.036 93.32 21.0366 160.889 -42.8054 93.3201 -42.8048 -64.0212 GPRESSURE: 3038800 -80.5718 51.64 117.302 -12.3227 192.418 17.0991 -76.7391 83.0904 6.96719 PRESSAVG: 3038800 -56.7987 8.35238 46.6669 8.35229 37.8871 4.83301 46.6669 4.83309 53.0802 GPRESSAVG: 3038800 -55.6687 7.77776 46.7483 8.68333 36.3814 6.42573 46.885 6.37415 52.9429 TIMING: 3038800 CPU: 9074.54, 0.00309216/step Wall: 9074.54, 0.00309216/step, 1.68454 hours remaining, 207.027344 MB of memory in use. ENERGY: 3038800 810.6787 2171.6525 1925.6602 123.7355 -206786.1530 17979.2072 0.0000 0.0000 34146.1199 -149629.0990 298.2066 -183775.2189 -149529.5909 298.5303 7.7692 39.6044 555594.2579 11.3895 11.2185 PRESSURE: 3039000 -214.077 -112.26 -88.4177 -112.258 -406.284 -53.128 -88.4177 -53.1291 215.03 GPRESSURE: 3039000 -208.045 -142.658 -178.832 -75.346 -372.839 -51.6758 -4.2905 -56.01 264.003 PRESSAVG: 3039000 -29.2831 36.1178 24.5415 36.1179 16.0249 -75.7363 24.5415 -75.7363 45.3868 GPRESSAVG: 3039000 -30.39 36.8568 23.9978 36.6214 17.2499 -76.3136 24.3492 -76.7449 45.0674 TIMING: 3039000 CPU: 9075.16, 0.00305716/step Wall: 9075.16, 0.00305715/step, 1.6653 hours remaining, 207.027344 MB of memory in use. ENERGY: 3039000 746.1422 2089.7160 1948.8922 116.4058 -206362.3050 17671.1849 0.0000 0.0000 34108.6104 -149681.3536 297.8790 -183789.9640 -149589.6830 298.4482 -135.1102 -105.6268 556443.7101 10.7096 10.6424 PRESSURE: 3039200 32.5379 -23.9962 58.3749 -23.9956 -126.629 -158.459 58.3761 -158.459 42.9811 GPRESSURE: 3039200 71.129 -16.3146 -23.5704 -66.8456 -97.9465 -75.1676 158.872 -70.4629 74.8117 PRESSAVG: 3039200 59.1967 29.8411 -49.6414 29.8411 -32.8316 44.9084 -49.6414 44.9083 13.6759 GPRESSAVG: 3039200 60.1996 29.6465 -50.0864 30.4233 -33.633 42.1595 -48.6097 45.7658 13.4235 TIMING: 3039200 CPU: 9075.76, 0.00302248/step Wall: 9075.76, 0.00302249/step, 1.64625 hours remaining, 207.027344 MB of memory in use. ENERGY: 3039200 750.2520 2088.4116 1936.4812 120.6214 -206746.6145 17912.7222 0.0000 0.0000 34478.7011 -149459.4250 301.1111 -183938.1261 -149365.3941 299.0342 -17.0365 15.9981 556439.0332 13.3470 13.3300 PRESSURE: 3039400 -272.321 191.302 -1.2547 191.301 22.021 110.553 -1.25389 110.553 -281.657 GPRESSURE: 3039400 -214.359 127.178 -13.6809 238.93 30.2453 24.3828 -64.5679 124.074 -252.684 PRESSAVG: 3039400 -8.24567 31.065 -55.9027 31.065 -3.61123 -43.286 -55.9027 -43.286 18.7449 GPRESSAVG: 3039400 -9.89457 30.4042 -53.0024 29.8571 -2.91491 -41.4308 -57.0274 -45.1034 19.8652 TIMING: 3039400 CPU: 9076.36, 0.00299842/step Wall: 9076.36, 0.00299842/step, 1.63297 hours remaining, 207.027344 MB of memory in use. ENERGY: 3039400 745.4780 2116.5137 1929.1348 127.1601 -206043.0819 17522.2605 0.0000 0.0000 34163.1804 -149439.3544 298.3556 -183602.5347 -149340.9995 299.1929 -177.3189 -145.5992 556947.9757 2.2960 2.3519 PRESSURE: 3039600 -46.4986 -70.932 -162.587 -70.9315 -267.037 70.458 -162.588 70.4583 49.8787 GPRESSURE: 3039600 10.3239 -128.169 -188.758 -59.6597 -187.638 160.138 -60.4666 76.928 25.1037 PRESSAVG: 3039600 -54.4933 55.3294 -37.0715 55.3293 -7.02253 3.47999 -37.0714 3.4799 53.3994 GPRESSAVG: 3039600 -53.2131 54.3202 -38.932 57.7536 -8.12659 3.73663 -37.3067 3.09127 52.6569 TIMING: 3039600 CPU: 9076.97, 0.00302885/step Wall: 9076.97, 0.00302885/step, 1.64938 hours remaining, 207.027344 MB of memory in use. ENERGY: 3039600 761.8136 2073.9542 1924.9629 123.5167 -206458.3737 17666.0944 0.0000 0.0000 34400.8853 -149507.1466 300.4315 -183908.0319 -149397.2535 299.4361 -87.8857 -50.7367 556074.0792 -2.7055 -2.8943 PRESSURE: 3039800 -79.629 -74.4302 159.089 -74.4288 -0.74112 -146.977 159.089 -146.976 -33.4897 GPRESSURE: 3039800 -76.2029 -43.3218 174.557 -138.962 54.4318 -131.726 130.668 -159.646 15.7736 PRESSAVG: 3039800 3.16208 -19.3778 5.62741 -19.3779 0.759485 -40.4887 5.62738 -40.4887 40.3432 GPRESSAVG: 3039800 3.06678 -16.8218 6.04965 -21.036 1.26256 -40.7991 4.19006 -40.9279 39.9687 TIMING: 3039800 CPU: 9077.58, 0.00305107/step Wall: 9077.58, 0.00305107/step, 1.66131 hours remaining, 207.027344 MB of memory in use. ENERGY: 3039800 749.2042 2162.5373 1940.1944 130.8575 -206542.0584 17845.9638 0.0000 0.0000 34199.3653 -149513.9359 298.6716 -183713.3012 -149427.0061 299.2532 -37.9532 -1.9992 556744.1654 14.7549 14.7660 PRESSURE: 3040000 -150.796 177.893 80.469 177.893 -20.3304 -77.8055 80.4706 -77.8061 140.875 GPRESSURE: 3040000 -152.319 139.343 141.135 169.94 50.6892 -28.2331 140.579 -115.603 154.934 PRESSAVG: 3040000 -37.9297 42.2402 13.5476 42.2402 -32.2498 14.6543 13.5476 14.6544 58.4288 GPRESSAVG: 3040000 -37.9113 40.3174 13.0379 42.6511 -32.509 15.9228 13.8403 16.2547 58.2088 TIMING: 3040000 CPU: 9078.18, 0.00304315/step Wall: 9078.18, 0.00304315/step, 1.65683 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: 3040000 743.6080 2088.5065 1928.0598 110.5039 -206500.6914 17820.1714 0.0000 0.0000 34301.9348 -149507.9069 299.5673 -183809.8417 -149408.1861 299.1377 -10.0837 17.7682 557449.7177 -3.9169 -4.0705 PRESSURE: 3040200 193.237 16.0131 -22.8723 16.0129 -205.824 -107.608 -22.8727 -107.608 304.925 GPRESSURE: 3040200 299.706 -20.257 9.07861 34.8533 -172.319 -53.3007 0.801396 5.67119 248.072 PRESSAVG: 3040200 -48.9626 -13.1465 48.7356 -13.1464 -31.0924 20.1008 48.7355 20.1008 13.8618 GPRESSAVG: 3040200 -49.5661 -10.1631 49.3366 -13.8468 -29.424 19.5434 50.5431 20.6082 12.542 TIMING: 3040200 CPU: 9078.8, 0.00305243/step Wall: 9078.8, 0.00305243/step, 1.66171 hours remaining, 207.027344 MB of memory in use. ENERGY: 3040200 793.7335 2078.2657 1921.8773 107.0462 -206772.6033 18171.0151 0.0000 0.0000 34254.2189 -149446.4466 299.1506 -183700.6655 -149347.5417 298.2436 97.4462 125.1529 556080.7788 -22.0644 -22.1494 LDB: ============= START OF LOAD BALANCING ============== 9082.23 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9082.23 LDB: =============== DONE WITH MIGRATION ================ 9082.23 LDB: ============= START OF LOAD BALANCING ============== 9082.54 LDB: Largest compute 4820 load 0.030445 is 25.8% of average load 0.118084 LDB: Average compute 0.001736 is 1.5% of average load 0.118084 LDB: TIME 9082.54 LOAD: AVG 0.118084 MAX 0.206088 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.285 MB LDB: TIME 9082.54 LOAD: AVG 0.118084 MAX 0.206088 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.289 MB LDB: TIME 9082.54 LOAD: AVG 0.118084 MAX 0.206088 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.289 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9082.54 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9082.55 PRESSURE: 3040400 145.893 -58.7105 -5.12949 -58.7107 -205.601 -13.4813 -5.12837 -13.4809 177.384 GPRESSURE: 3040400 151.46 -87.634 -20.8154 -101.221 -100.236 -31.8863 28.489 16.9774 167.316 PRESSAVG: 3040400 -18.0643 0.51376 -48.396 0.513801 -46.5746 26.83 -48.396 26.8301 75.4678 GPRESSAVG: 3040400 -16.5723 -0.577458 -49.8581 -1.39499 -48.3301 27.8485 -47.5966 25.5931 75.8877 TIMING: 3040400 CPU: 9079.42, 0.00311218/step Wall: 9079.42, 0.00311218/step, 1.69407 hours remaining, 206.453125 MB of memory in use. ENERGY: 3040400 757.9087 2147.0373 1915.5127 114.9228 -206340.1862 17869.9424 0.0000 0.0000 34064.9907 -149469.8716 297.4980 -183534.8623 -149375.9453 298.8415 39.2255 72.8466 556609.7404 3.6096 3.6618 PRESSURE: 3040600 -197.709 -6.58783 -78.7982 -6.58881 81.3327 77.6057 -78.7976 77.6053 -199.647 GPRESSURE: 3040600 -127.219 82.9078 -115.274 15.9949 124.069 108.028 -56.9048 84.6991 -219.515 PRESSAVG: 3040600 22.9207 -11.6348 18.6335 -11.6348 12.5704 90.1173 18.6334 90.1173 -51.4804 GPRESSAVG: 3040600 22.3727 -10.5755 19.8543 -11.852 12.7124 90.3497 16.4118 90.0034 -50.7571 TIMING: 3040600 CPU: 9080.03, 0.00305284/step Wall: 9080.03, 0.00305284/step, 1.66159 hours remaining, 206.656250 MB of memory in use. ENERGY: 3040600 741.0932 2094.7191 1903.6875 129.5045 -206066.4517 17683.4626 0.0000 0.0000 34201.7096 -149312.2753 298.6920 -183513.9848 -149219.1363 298.5685 -105.3408 -74.2216 557843.8859 -5.3298 -5.2240 PRESSURE: 3040800 -402.547 23.026 59.996 23.0275 -31.4221 -17.6003 59.9951 -17.599 -3.15125 GPRESSURE: 3040800 -362.683 37.1124 71.9051 71.7147 9.94826 57.6087 97.8226 -4.86552 10.3848 PRESSAVG: 3040800 -75.8302 68.9762 -13.8062 68.9762 46.9221 -17.9847 -13.8062 -17.9846 16.541 GPRESSAVG: 3040800 -76.8989 68.0147 -14.0128 70.4572 47.3478 -18.0673 -13.425 -18.0914 16.7715 TIMING: 3040800 CPU: 9080.63, 0.00301703/step Wall: 9080.63, 0.00301703/step, 1.64194 hours remaining, 206.656250 MB of memory in use. ENERGY: 3040800 727.3873 2117.7538 1934.2477 113.8648 -205878.3340 17464.9626 0.0000 0.0000 34125.0468 -149395.0708 298.0225 -183520.1176 -149293.3068 299.8325 -145.7067 -114.1167 557275.3105 -4.1224 -4.2599 PRESSURE: 3041000 28.8817 25.2504 -25.0898 25.2501 58.8346 -12.4477 -25.0896 -12.4479 -143.997 GPRESSURE: 3041000 51.3176 14.193 -21.5156 25.4056 68.6663 -95.7466 14.3281 71.6201 -72.6477 PRESSAVG: 3041000 -47.8759 10.1422 -8.43102 10.1422 22.2189 -46.6609 -8.43105 -46.6609 11.5535 GPRESSAVG: 3041000 -46.5085 10.9718 -5.11809 8.70856 22.4832 -46.715 -11.1689 -48.7152 9.99037 TIMING: 3041000 CPU: 9081.23, 0.00301659/step Wall: 9081.23, 0.00301659/step, 1.64153 hours remaining, 206.656250 MB of memory in use. ENERGY: 3041000 766.5051 2114.9274 1930.3704 118.0285 -206512.7641 17849.0186 0.0000 0.0000 34227.3365 -149506.5775 298.9158 -183733.9140 -149405.5986 299.1950 -18.7601 15.7787 557171.8850 -4.7012 -4.6783 PRESSURE: 3041200 177.04 55.4447 -177.316 55.4434 -92.8228 9.08684 -177.314 9.08878 308.544 GPRESSURE: 3041200 207.893 52.0871 -110.487 -5.1928 -77.4068 28.8945 -213.728 31.8616 359.178 PRESSAVG: 3041200 16.8719 21.093 16.6919 21.0931 -44.8532 31.1726 16.692 31.1725 28.1487 GPRESSAVG: 3041200 16.7231 19.2929 14.0727 23.5657 -45.7994 29.8687 18.633 34.3893 28.6856 TIMING: 3041200 CPU: 9081.84, 0.00301312/step Wall: 9081.84, 0.00301312/step, 1.63947 hours remaining, 206.656250 MB of memory in use. ENERGY: 3041200 721.5230 2083.8945 1938.8938 109.3756 -206823.2105 18042.9577 0.0000 0.0000 34291.0746 -149635.4913 299.4725 -183926.5659 -149543.7165 298.6978 130.9204 163.2216 556415.3075 0.0558 -0.1302 PRESSURE: 3041400 -198.281 50.6138 39.3399 50.6133 -31.8221 -175.672 39.3389 -175.672 171.451 GPRESSURE: 3041400 -142.506 -7.02875 -12.1781 90.3344 -8.74053 -170.704 -44.2632 -132.871 181.6 PRESSAVG: 3041400 10.6558 25.5861 9.45031 25.5861 -35.9657 -32.0644 9.45025 -32.0644 20.2408 GPRESSAVG: 3041400 9.70151 26.8941 10.7587 24.8132 -35.3154 -31.4337 8.43465 -33.531 20.1376 TIMING: 3041400 CPU: 9082.44, 0.00300917/step Wall: 9082.44, 0.00300917/step, 1.63716 hours remaining, 206.656250 MB of memory in use. ENERGY: 3041400 750.0233 2112.0496 1950.2910 110.6009 -206505.6827 17692.7457 0.0000 0.0000 34148.6065 -149741.3657 298.2283 -183889.9723 -149638.3683 298.0660 -19.5505 10.1175 554880.8480 -1.6897 -1.8254 PRESSURE: 3041600 189.929 -158.868 42.5652 -158.866 -37.3667 -81.5994 42.5656 -81.599 -71.2205 GPRESSURE: 3041600 216.058 -156.755 90.2549 -162.554 31.1362 -106.95 94.2349 -31.4289 -76.839 PRESSAVG: 3041600 -1.92948 5.48972 15.1554 5.48976 0.677958 -41.24 15.1554 -41.24 -36.2066 GPRESSAVG: 3041600 -2.27259 4.85647 12.5241 5.716 0.226721 -41.4236 17.534 -39.485 -35.4035 TIMING: 3041600 CPU: 9083.04, 0.00298597/step Wall: 9083.04, 0.00298597/step, 1.62437 hours remaining, 206.656250 MB of memory in use. ENERGY: 3041600 758.8718 2072.0619 1930.5345 129.3083 -206711.6236 17836.7143 0.0000 0.0000 34081.0313 -149903.1016 297.6381 -183984.1329 -149804.5018 297.8580 27.1141 56.7851 555419.9944 -12.4860 -12.4831 PRESSURE: 3041800 -252.941 190.663 79.658 190.663 -41.2384 248.053 79.6579 248.051 -171.205 GPRESSURE: 3041800 -207.138 130.696 155.157 113.216 -12.6024 220.356 36.632 199.745 -159.549 PRESSAVG: 3041800 -33.1136 -13.5873 56.0531 -13.5873 31.4 5.58342 56.0531 5.5836 -9.07875 GPRESSAVG: 3041800 -32.6674 -14.03 57.345 -13.5382 31.5483 3.947 55.7861 6.05423 -9.07098 TIMING: 3041800 CPU: 9083.64, 0.00301036/step Wall: 9083.64, 0.00301036/step, 1.63747 hours remaining, 206.656250 MB of memory in use. ENERGY: 3041800 772.0787 2075.4883 1948.3666 94.1962 -206675.2055 17718.2225 0.0000 0.0000 34018.0877 -150048.7655 297.0884 -184066.8532 -149949.7696 297.4234 -155.1280 -126.4298 556655.1950 -3.5975 -3.3967 PRESSURE: 3042000 -181.789 -66.2434 127.319 -66.2431 38.331 -54.7449 127.318 -54.7433 -2.32012 GPRESSURE: 3042000 -140.223 -41.5751 77.3675 -53.9939 57.9218 -44.9719 219.373 -114.373 47.9849 PRESSAVG: 3042000 23.3077 -26.5485 -38.4813 -26.5486 13.3409 35.9023 -38.4814 35.9023 -31.2172 GPRESSAVG: 3042000 22.2002 -26.0933 -36.9908 -25.5253 14.2892 36.2976 -39.5218 35.0227 -31.2716 TIMING: 3042000 CPU: 9084.24, 0.00301609/step Wall: 9084.24, 0.00301609/step, 1.64042 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: 3042000 747.1591 2062.9672 1937.1292 110.4618 -206814.4958 17993.3918 0.0000 0.0000 34103.4432 -149859.9436 297.8339 -183963.3868 -149761.2832 296.7157 -48.5927 -11.4387 556857.6082 1.8104 1.7393 PRESSURE: 3042200 -115.771 29.2009 36.9299 29.2014 -157.402 25.8484 36.9303 25.8488 -74.5868 GPRESSURE: 3042200 -62.2281 40.586 -0.135823 9.09866 -175.044 -49.1378 71.4502 72.5502 -17.4135 PRESSAVG: 3042200 65.2033 88.0582 -4.82083 88.0581 -76.7543 -49.3625 -4.82089 -49.3626 34.4195 GPRESSAVG: 3042200 64.7935 87.1369 -4.37862 86.9231 -77.3455 -48.1479 -7.23737 -50.0727 35.7089 TIMING: 3042200 CPU: 9084.84, 0.00301549/step Wall: 9084.84, 0.00301549/step, 1.63992 hours remaining, 206.656250 MB of memory in use. ENERGY: 3042200 781.8007 2123.6370 1931.1565 112.4381 -206797.6936 17849.2652 0.0000 0.0000 34069.8609 -149929.5352 297.5406 -183999.3960 -149829.4204 297.8211 -115.9200 -84.8954 556934.6224 7.6228 7.7189 PRESSURE: 3042400 -107.408 9.63466 130.209 9.63466 87.0469 -125.384 130.208 -125.384 -13.0243 GPRESSURE: 3042400 -33.8049 -1.28276 97.257 105.834 93.6505 -36.864 124.28 -159.762 9.22984 PRESSAVG: 3042400 6.47307 29.5035 42.4335 29.5035 -43.0769 -2.86121 42.4335 -2.86123 50.3579 GPRESSAVG: 3042400 8.879 30.2813 40.0848 28.3517 -43.7221 -3.07394 44.8208 -3.05878 49.0116 TIMING: 3042400 CPU: 9085.44, 0.0029928/step Wall: 9085.44, 0.0029928/step, 1.62742 hours remaining, 206.656250 MB of memory in use. ENERGY: 3042400 746.8548 2057.6385 1925.6796 100.8404 -206831.8896 17970.9883 0.0000 0.0000 34138.7637 -149891.1243 298.1423 -184029.8880 -149800.5206 296.7508 -11.1283 23.0251 557399.9610 4.5847 4.7228 PRESSURE: 3042600 19.2981 4.94714 119.329 4.94585 -4.00346 -82.5851 119.329 -82.5841 -13.2502 GPRESSURE: 3042600 5.91802 -116.361 94.0396 45.2899 101.55 -130.637 97.4919 27.5604 -8.82964 PRESSAVG: 3042600 -40.333 57.5462 49.1456 57.5462 0.0116973 19.9492 49.1455 19.9493 35.9894 GPRESSAVG: 3042600 -41.2084 57.0716 49.2565 57.5266 1.08259 21.5676 48.0514 18.2577 35.8455 TIMING: 3042600 CPU: 9086.04, 0.00300488/step Wall: 9086.04, 0.00300488/step, 1.63382 hours remaining, 206.656250 MB of memory in use. ENERGY: 3042600 727.8543 2088.2733 1931.0415 116.6639 -206578.4498 17723.6412 0.0000 0.0000 34117.7062 -149873.2694 297.9584 -183990.9756 -149778.0487 297.5698 0.6815 32.8795 556766.5715 -1.4440 -1.4268 PRESSURE: 3042800 117.36 -153.647 128.612 -153.648 -24.1619 -85.9123 128.613 -85.914 -42.1093 GPRESSURE: 3042800 73.8072 -247.97 103.259 -32.1858 21.1948 -95.837 193.231 -193.552 54.9683 PRESSAVG: 3042800 5.0382 -2.71161 65.5725 -2.71165 20.4843 -21.3944 65.5725 -21.3945 14.8797 GPRESSAVG: 3042800 5.50318 -2.43428 65.1604 0.689996 19.5157 -22.9946 66.9597 -20.7449 15.302 TIMING: 3042800 CPU: 9086.65, 0.00302216/step Wall: 9086.65, 0.00302216/step, 1.64305 hours remaining, 206.656250 MB of memory in use. ENERGY: 3042800 798.5170 2073.7457 1947.2108 113.7662 -206995.5848 17954.1335 0.0000 0.0000 34217.1380 -149891.0734 298.8268 -184108.2114 -149798.2710 297.8228 17.0295 49.9901 554804.7995 13.4674 13.4403 PRESSURE: 3043000 -284.097 -128.217 -61.3466 -128.217 -9.86767 -117.298 -61.347 -117.298 -258.844 GPRESSURE: 3043000 -261.131 -184.941 -31.9789 -141.076 37.9488 -138.688 -8.8907 -152.504 -244.244 PRESSAVG: 3043000 -35.4235 -5.09545 55.3007 -5.09542 17.0774 -89.7978 55.3007 -89.7979 -0.152472 GPRESSAVG: 3043000 -36.4114 -5.91674 54.8945 -7.82815 17.5274 -87.8153 56.0985 -90.4202 0.520571 TIMING: 3043000 CPU: 9087.25, 0.00301488/step Wall: 9087.25, 0.00301488/step, 1.63892 hours remaining, 206.656250 MB of memory in use. ENERGY: 3043000 754.9548 2052.8122 1954.6691 101.0615 -206369.7318 17607.4114 0.0000 0.0000 34010.4164 -149888.4065 297.0214 -183898.8229 -149792.1561 297.1141 -184.2696 -155.8087 557241.4037 -6.1662 -6.1212 PRESSURE: 3043200 106.061 -153.049 -140.309 -153.05 83.844 74.1985 -140.309 74.1974 -297.827 GPRESSURE: 3043200 156.837 -195.654 -81.5933 -3.06109 98.6818 69.9285 -205.764 74.9763 -274.094 PRESSAVG: 3043200 -43.8274 -24.442 52.8344 -24.442 19.2794 -2.51149 52.8344 -2.51146 56.8957 GPRESSAVG: 3043200 -42.1826 -23.821 54.3113 -23.1078 18.8143 -2.84955 53.4893 -3.90841 56.1699 TIMING: 3043200 CPU: 9087.86, 0.00304672/step Wall: 9087.86, 0.00304672/step, 1.65606 hours remaining, 206.656250 MB of memory in use. ENERGY: 3043200 792.3430 2094.8767 1959.6038 125.6896 -206774.1574 18006.1147 0.0000 0.0000 34008.0584 -149787.4712 297.0008 -183795.5296 -149693.2703 297.8606 -35.9742 -6.1917 556665.3253 10.7826 10.9339 PRESSURE: 3043400 196.092 108.254 218.302 108.254 116.473 -40.2042 218.301 -40.2047 247.194 GPRESSURE: 3043400 210.74 100.079 249.687 72.3071 156.432 31.3952 279.539 -105.227 292.051 PRESSAVG: 3043400 -45.2598 3.0569 28.8518 3.05693 68.5266 -31.1051 28.8518 -31.105 10.6054 GPRESSAVG: 3043400 -46.4262 5.14429 28.6067 1.46795 68.8289 -31.9724 26.4881 -28.536 10.6831 TIMING: 3043400 CPU: 9088.47, 0.00303763/step Wall: 9088.47, 0.00303763/step, 1.65095 hours remaining, 206.656250 MB of memory in use. ENERGY: 3043400 722.0936 2068.7557 1949.7616 117.9988 -206673.7262 17925.5163 0.0000 0.0000 34089.4440 -149800.1561 297.7116 -183889.6001 -149711.1828 297.1353 186.5863 219.7411 555856.2748 11.2908 11.0286 PRESSURE: 3043600 114.571 -32.7929 -131.224 -32.7922 108.225 13.2663 -131.225 13.2663 152.222 GPRESSURE: 3043600 176.998 35.2857 -65.4094 -86.5711 114.575 62.7077 -187.356 5.13388 165.539 PRESSAVG: 3043600 23.4134 4.8642 -4.69591 4.86416 -56.6901 -24.601 -4.69595 -24.601 34.0179 GPRESSAVG: 3043600 22.6321 4.066 -3.73561 6.81381 -55.6968 -25.2733 -3.89121 -24.4103 33.6713 TIMING: 3043600 CPU: 9089.07, 0.00302756/step Wall: 9089.07, 0.00302756/step, 1.64531 hours remaining, 206.656250 MB of memory in use. ENERGY: 3043600 744.5466 2059.7911 1933.1757 91.8609 -206663.7485 17911.1077 0.0000 0.0000 34120.6282 -149802.6382 297.9839 -183923.2664 -149705.6815 297.0867 125.0059 152.3706 556081.7968 0.2471 0.2022 PRESSURE: 3043800 38.9623 -39.1599 5.90363 -39.1593 -69.3967 165.482 5.90534 165.482 -381.173 GPRESSURE: 3043800 78.477 -80.8741 -65.624 -69.3611 -49.9328 149.273 59.6601 65.1952 -332.223 PRESSAVG: 3043800 36.3224 -45.7194 5.26074 -45.7194 -24.6511 43.0069 5.26083 43.0068 29.7471 GPRESSAVG: 3043800 37.9605 -46.0063 2.72129 -47.1683 -24.9181 42.6394 7.63387 42.4995 28.5721 TIMING: 3043800 CPU: 9089.68, 0.00301986/step Wall: 9089.68, 0.00301986/step, 1.64096 hours remaining, 206.656250 MB of memory in use. ENERGY: 3043800 714.8373 2030.5509 1940.8729 111.6974 -206079.8308 17392.7538 0.0000 0.0000 34014.7793 -149874.3392 297.0595 -183889.1184 -149776.4458 297.4997 -137.2025 -101.2263 556209.0494 13.8061 13.8715 PRESSURE: 3044000 -173.219 -78.6179 123.204 -78.6158 -149.369 88.9503 123.205 88.9513 8.23969 GPRESSURE: 3044000 -103.009 -81.2673 96.5439 -33.66 -165.466 137.067 80.3246 106.323 54.6834 PRESSAVG: 3044000 7.61158 -16.9839 17.5932 -16.9839 17.799 15.8851 17.5932 15.8851 -14.8939 GPRESSAVG: 3044000 6.64504 -17.9313 21.0257 -16.5885 17.4506 15.8028 14.3757 16.4299 -13.7814 TIMING: 3044000 CPU: 9090.28, 0.00301237/step Wall: 9090.28, 0.00301237/step, 1.63672 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: 3044000 744.3608 2039.6163 1939.3172 113.2637 -206220.4186 17590.4925 0.0000 0.0000 34136.0440 -149657.3240 298.1186 -183793.3680 -149551.9673 297.5192 -104.7828 -71.2638 554768.4865 3.5055 3.4381 PRESSURE: 3044200 429.401 -147.174 -54.5155 -147.173 -2.77832 -129.009 -54.5154 -129.009 86.6029 GPRESSURE: 3044200 473.947 -129.874 -18.1569 -114.884 35.0523 -131.682 6.47293 -53.8667 100.866 PRESSAVG: 3044200 -1.76159 -16.6073 49.4006 -16.6074 -60.6883 1.94338 49.4007 1.94343 88.4965 GPRESSAVG: 3044200 -1.78393 -16.6046 48.2358 -16.1535 -60.7961 2.90899 50.0313 2.73104 87.737 TIMING: 3044200 CPU: 9090.88, 0.0030038/step Wall: 9090.88, 0.0030038/step, 1.6319 hours remaining, 206.656250 MB of memory in use. ENERGY: 3044200 736.9687 2058.0699 1937.6303 114.1595 -206632.8939 17894.9744 0.0000 0.0000 34232.6930 -149658.3980 298.9626 -183891.0910 -149561.4234 299.0596 171.0753 203.2885 554768.1995 8.6822 8.3857 LDB: ============= START OF LOAD BALANCING ============== 9094.31 LDB: ============== END OF LOAD BALANCING =============== 9094.32 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9094.32 LDB: ============= START OF LOAD BALANCING ============== 9094.62 LDB: Largest compute 4821 load 0.030016 is 25.4% of average load 0.118108 LDB: Average compute 0.001732 is 1.5% of average load 0.118108 LDB: TIME 9094.62 LOAD: AVG 0.118108 MAX 0.208944 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.25 MB LDB: TIME 9094.62 LOAD: AVG 0.118108 MAX 0.208944 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.25 MB LDB: TIME 9094.62 LOAD: AVG 0.118108 MAX 0.208944 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.25 MB LDB: ============== END OF LOAD BALANCING =============== 9094.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9094.63 PRESSURE: 3044400 160.248 96.7868 -133.614 96.7891 160.129 -164.713 -133.613 -164.714 148.183 GPRESSURE: 3044400 219.262 86.5764 -102.895 29.2297 175.775 -175.684 -90.6109 -189.299 174.473 PRESSAVG: 3044400 -32.7303 -23.2655 20.6193 -23.2655 -5.02274 -23.4825 20.6194 -23.4824 24.8388 GPRESSAVG: 3044400 -33.4384 -24.1576 18.8029 -25.059 -3.868 -24.1082 20.1774 -23.8227 24.6493 TIMING: 3044400 CPU: 9091.5, 0.00310017/step Wall: 9091.5, 0.00310017/step, 1.68408 hours remaining, 205.484375 MB of memory in use. ENERGY: 3044400 755.1754 2079.8466 1940.3651 106.3422 -206613.2809 17939.7573 0.0000 0.0000 34391.7137 -149400.0805 300.3514 -183791.7942 -149306.4596 298.5552 156.1869 189.8367 556059.2270 -4.3047 -4.2190 PRESSURE: 3044600 -83.6262 82.0893 -183.011 82.0908 142.897 -98.1059 -183.013 -98.1065 -189.286 GPRESSURE: 3044600 -64.8533 53.7246 -126.74 28.6388 177.514 -130.159 -233.809 -119.181 -157.117 PRESSAVG: 3044600 60.7519 11.7605 -25.0066 11.7605 -43.5617 16.9739 -25.0065 16.9739 22.9538 GPRESSAVG: 3044600 59.9877 12.7253 -23.9698 13.4013 -43.1982 18.2026 -24.8886 15.4091 24.1004 TIMING: 3044600 CPU: 9092.11, 0.00302933/step Wall: 9092.11, 0.00302933/step, 1.64543 hours remaining, 205.484375 MB of memory in use. ENERGY: 3044600 778.6673 2044.5576 1958.3122 122.0417 -206436.2996 17974.4104 0.0000 0.0000 34062.2328 -149496.0777 297.4740 -183558.3104 -149401.4689 299.6797 -43.3384 -14.8187 557240.4264 13.3813 13.6300 PRESSURE: 3044800 -16.3441 -40.8727 -2.07853 -40.8725 -57.2834 124.487 -2.0783 124.487 51.7843 GPRESSURE: 3044800 -1.61736 41.5517 15.9584 -75.8969 13.6757 69.4207 -12.6219 126.811 56.1302 PRESSAVG: 3044800 29.6361 16.8769 -8.26515 16.8768 -38.0481 -10.1422 -8.26519 -10.1421 -41.968 GPRESSAVG: 3044800 31.9575 17.1032 -8.46967 15.2278 -38.3649 -13.317 -8.56018 -6.88645 -43.7467 TIMING: 3044800 CPU: 9092.72, 0.00303919/step Wall: 9092.72, 0.00303919/step, 1.65062 hours remaining, 205.484375 MB of memory in use. ENERGY: 3044800 731.9219 2100.3525 1918.7936 109.8490 -205976.3862 17720.5813 0.0000 0.0000 33948.1524 -149446.7354 296.4777 -183394.8878 -149356.3918 298.3671 -7.2811 22.7295 557559.2336 -16.7933 -16.7180 PRESSURE: 3045000 -165.827 75.6806 117.398 75.6806 -405.758 192.545 117.398 192.544 -167.212 GPRESSURE: 3045000 -161.76 9.06538 70.1341 91.413 -324.34 227.219 171.874 103.04 -164.461 PRESSAVG: 3045000 38.2198 -6.77283 51.2002 -6.77288 -12.7081 23.4514 51.2002 23.4514 27.9674 GPRESSAVG: 3045000 37.6513 -6.71063 52.9273 -6.60146 -13.022 25.3839 52.2263 20.7325 29.3918 TIMING: 3045000 CPU: 9093.33, 0.00305003/step Wall: 9093.33, 0.00305003/step, 1.65633 hours remaining, 205.484375 MB of memory in use. ENERGY: 3045000 778.1295 2126.9796 1944.2458 97.8664 -205784.8772 17444.4028 0.0000 0.0000 34037.5151 -149355.7380 297.2581 -183393.2531 -149258.9132 298.5972 -246.2656 -216.8538 558525.6392 17.8264 18.0070 PRESSURE: 3045200 228.603 -132.998 109.941 -132.997 191.196 64.3392 109.941 64.3395 537.853 GPRESSURE: 3045200 248.376 -76.2097 87.6475 -189.546 215.787 -41.9826 120.996 51.4417 593.913 PRESSAVG: 3045200 -25.2989 2.76082 4.71072 2.76074 31.073 -9.76698 4.71072 -9.76697 -18.4345 GPRESSAVG: 3045200 -26.3403 2.62104 5.2656 2.03814 31.7097 -11.9309 4.01461 -8.40126 -17.1883 TIMING: 3045200 CPU: 9093.93, 0.00304159/step Wall: 9093.93, 0.00304159/step, 1.65159 hours remaining, 205.484375 MB of memory in use. ENERGY: 3045200 725.5979 2136.4250 1953.6455 114.4233 -206643.6275 18255.6943 0.0000 0.0000 34224.5280 -149233.3136 298.8913 -183457.8416 -149136.3169 298.9003 319.2175 352.6922 556052.6532 -4.2201 -3.9396 PRESSURE: 3045400 -15.517 -185.807 -100.9 -185.807 -113.345 -2.37822 -100.9 -2.37775 -16.2693 GPRESSURE: 3045400 25.6853 -118.564 -85.6157 -146 -96.7596 -36.4145 -86.1982 19.2946 30.3021 PRESSAVG: 3045400 -42.2532 -57.5801 10.7904 -57.5801 -84.8148 -58.8598 10.7905 -58.8599 110.649 GPRESSAVG: 3045400 -41.8383 -56.2564 9.79881 -57.223 -85.4419 -58.0864 12.3787 -59.5503 110.225 TIMING: 3045400 CPU: 9094.54, 0.00303227/step Wall: 9094.54, 0.00303227/step, 1.64635 hours remaining, 205.484375 MB of memory in use. ENERGY: 3045400 746.1294 2058.8339 1943.8634 112.9346 -206340.6976 17878.2923 0.0000 0.0000 34179.5811 -149421.0629 298.4988 -183600.6439 -149325.9210 298.8996 -48.3772 -13.5907 558805.7021 -5.4728 -5.6850 PRESSURE: 3045600 -393.228 -43.8785 -89.9062 -43.878 -285.91 30.4406 -89.9073 30.4392 58.625 GPRESSURE: 3045600 -311.177 -6.45978 -95.2785 38.2798 -276.022 105.241 -115.811 3.3696 54.8982 PRESSAVG: 3045600 -10.4266 -82.501 68.1872 -82.5011 -33.2751 -2.26878 68.1871 -2.26884 43.3142 GPRESSAVG: 3045600 -8.80402 -85.2111 68.1677 -82.3482 -33.7215 -2.84862 67.4992 -3.47058 41.9178 TIMING: 3045600 CPU: 9095.15, 0.00303342/step Wall: 9095.15, 0.00303342/step, 1.64681 hours remaining, 205.484375 MB of memory in use. ENERGY: 3045600 763.5392 2096.7475 1940.7349 112.7285 -206047.4254 17691.0624 0.0000 0.0000 34139.5772 -149303.0357 298.1494 -183442.6129 -149203.5883 298.2068 -206.8377 -177.4336 559522.9554 -0.1292 -0.2026 PRESSURE: 3045800 123.837 33.8994 -24.9089 33.8982 -57.4346 -49.3918 -24.9084 -49.3923 39.7146 GPRESSURE: 3045800 154.293 76.1578 -8.70655 47.3258 -49.6587 12.1078 -66.3455 -87.5666 96.7149 PRESSAVG: 3045800 -9.57819 3.11452 40.3582 3.11453 33.3137 64.7653 40.3583 64.7652 22.8885 GPRESSAVG: 3045800 -10.8411 3.36453 39.4769 4.15941 34.6336 65.4428 41.2225 65.4548 23.1775 TIMING: 3045800 CPU: 9095.75, 0.00302835/step Wall: 9095.75, 0.00302835/step, 1.64389 hours remaining, 205.484375 MB of memory in use. ENERGY: 3045800 718.4914 2107.9053 1962.2682 110.2692 -205714.6330 17686.9645 0.0000 0.0000 34061.4264 -149067.3080 297.4669 -183128.7344 -148971.4980 299.2004 35.3723 67.1165 559568.6559 15.5413 15.6567 PRESSURE: 3046000 -20.6945 -99.2806 -10.6943 -99.2808 19.7356 101.959 -10.6942 101.959 18.6799 GPRESSURE: 3046000 -22.3767 -135.211 -26.6035 -68.6007 77.1153 93.1873 15.7821 170.419 58.4198 PRESSAVG: 3046000 35.8665 -32.4814 -14.8507 -32.4815 -21.3949 -24.2446 -14.8508 -24.2446 17.6119 GPRESSAVG: 3046000 35.7829 -32.0032 -13.7387 -33.4753 -21.6469 -24.9068 -16.0365 -23.8465 18.2464 TIMING: 3046000 CPU: 9096.36, 0.00303343/step Wall: 9096.36, 0.00303343/step, 1.64648 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: 3046000 748.5636 2084.7245 1930.4206 111.6585 -206571.2232 18011.7249 0.0000 0.0000 34356.2975 -149327.8335 300.0421 -183684.1310 -149233.9144 299.2686 5.9070 37.7195 557852.2303 10.6945 10.7942 PRESSURE: 3046200 -94.0238 -92.1018 -91.8729 -92.1023 -344.417 -54.4492 -91.8732 -54.4474 38.1034 GPRESSURE: 3046200 -84.2555 -106.112 -77.4336 -28.5211 -251.896 -160.994 -52.7133 1.6093 34.853 PRESSAVG: 3046200 46.4408 36.7709 38.4972 36.7709 -20.8555 -46.3458 38.4971 -46.3459 -19.5648 GPRESSAVG: 3046200 46.0104 37.8232 39.2931 36.9331 -20.0643 -46.3463 39.3472 -46.928 -20.0694 TIMING: 3046200 CPU: 9096.96, 0.00301534/step Wall: 9096.96, 0.00301534/step, 1.63649 hours remaining, 205.484375 MB of memory in use. ENERGY: 3046200 717.0165 2112.9756 1946.3042 108.8443 -206205.3638 17665.0436 0.0000 0.0000 34494.4628 -149160.7168 301.2487 -183655.1797 -149065.5594 300.0305 -133.4457 -100.4329 557841.1042 2.0068 1.9589 PRESSURE: 3046400 175.334 -224.806 13.2476 -224.807 -118.073 110.083 13.2464 110.082 176.834 GPRESSURE: 3046400 174.226 -211.603 -20.5262 -208.736 -72.7134 184.037 80.315 -40.2335 234.886 PRESSAVG: 3046400 23.195 0.0401539 2.68779 0.0401771 19.1338 -1.50731 2.68781 -1.50746 -20.667 GPRESSAVG: 3046400 22.959 0.13174 1.06208 -1.98385 19.0358 -1.43962 3.53733 -3.87274 -19.9276 TIMING: 3046400 CPU: 9097.57, 0.00301833/step Wall: 9097.57, 0.00301833/step, 1.63795 hours remaining, 205.484375 MB of memory in use. ENERGY: 3046400 746.4396 2109.6343 1938.8335 119.3766 -206556.4985 17954.6285 0.0000 0.0000 34341.0810 -149346.5050 299.9092 -183687.5860 -149248.9420 299.2456 78.0319 112.1326 556728.1180 7.2206 7.3557 PRESSURE: 3046600 -149.716 5.18443 -32.0898 5.18326 -86.8607 186.981 -32.0902 186.982 -167.662 GPRESSURE: 3046600 -63.6317 -20.9899 -70.791 46.1991 -121.985 156.955 -34.5794 153.391 -120.936 PRESSAVG: 3046600 -11.2131 -21.6608 -62.595 -21.6609 5.70177 22.7675 -62.5951 22.7676 35.8622 GPRESSAVG: 3046600 -9.80078 -24.24 -60.3517 -17.6793 4.53378 23.1058 -63.8386 23.2076 35.7022 TIMING: 3046600 CPU: 9098.17, 0.00303521/step Wall: 9098.17, 0.00303521/step, 1.64694 hours remaining, 205.484375 MB of memory in use. ENERGY: 3046600 753.1434 2091.2390 1914.7050 112.6337 -206490.6845 17734.4003 0.0000 0.0000 34227.8944 -149656.6688 298.9207 -183884.5632 -149557.8711 299.2349 -134.7462 -102.1843 557856.8212 10.1169 10.1451 PRESSURE: 3046800 -85.2364 -70.2018 146.59 -70.2022 -75.4823 3.31523 146.59 3.31351 0.70824 GPRESSURE: 3046800 -117.395 -130.424 94.0518 -61.9079 -0.822586 96.3727 157.908 -52.1513 53.2482 PRESSAVG: 3046800 6.88379 -30.2219 -16.6939 -30.2221 -2.12394 22.3135 -16.6939 22.3135 44.2187 GPRESSAVG: 3046800 6.02506 -30.5652 -18.518 -31.484 -1.55124 23.8321 -16.3924 22.6928 44.1618 TIMING: 3046800 CPU: 9098.78, 0.00301865/step Wall: 9098.78, 0.00301865/step, 1.63778 hours remaining, 205.484375 MB of memory in use. ENERGY: 3046800 773.6034 2066.1651 1924.2784 112.1509 -206584.4836 17832.2154 0.0000 0.0000 34179.3510 -149696.7194 298.4968 -183876.0705 -149598.2689 298.8791 -53.3368 -21.6565 556506.9629 16.3262 16.2119 PRESSURE: 3047000 -203.321 -220.118 126.465 -220.117 -125.898 -108.047 126.466 -108.048 -107.338 GPRESSURE: 3047000 -166.689 -242.805 18.7655 -143.326 -103.036 -49.621 170.579 -91.9029 -64.1674 PRESSAVG: 3047000 -19.6896 -96.6871 -16.2482 -96.6871 50.311 15.9877 -16.2482 15.9877 9.65314 GPRESSAVG: 3047000 -19.7339 -94.8925 -14.2074 -97.3277 50.1974 16.7573 -17.2362 16.0917 9.60263 TIMING: 3047000 CPU: 9099.38, 0.00300932/step Wall: 9099.38, 0.00300932/step, 1.63256 hours remaining, 205.484375 MB of memory in use. ENERGY: 3047000 790.1334 2098.1177 1922.2326 99.4023 -206284.5547 17638.4198 0.0000 0.0000 34144.9088 -149591.3402 298.1960 -183736.2489 -149488.3180 298.3729 -145.5188 -111.2973 557288.2591 13.4248 13.3554 PRESSURE: 3047200 -235.207 -16.3625 -84.5717 -16.3631 184.016 -1.51803 -84.5721 -1.51842 120.213 GPRESSURE: 3047200 -174.523 4.75347 -75.973 2.8856 195.52 -50.3593 -164.774 39.9408 140.208 PRESSAVG: 3047200 22.7105 -18.5046 23.5543 -18.5046 -56.1394 40.1326 23.5543 40.1326 38.3939 GPRESSAVG: 3047200 23.4679 -18.2837 22.6481 -18.3066 -55.7007 36.2153 25.1301 42.5045 37.7521 TIMING: 3047200 CPU: 9099.98, 0.00300171/step Wall: 9099.98, 0.00300171/step, 1.62826 hours remaining, 205.484375 MB of memory in use. ENERGY: 3047200 695.2807 2037.5944 1945.7432 122.8299 -206545.8933 17833.4542 0.0000 0.0000 34328.6451 -149582.3457 299.8006 -183910.9908 -149482.2281 298.8515 23.0074 53.7353 556813.4061 1.6550 1.8398 PRESSURE: 3047400 -107.438 1.94106 -60.4296 1.94013 -337.063 95.1425 -60.4297 95.144 -5.33131 GPRESSURE: 3047400 -94.2208 1.67889 -127.578 -22.0987 -319.68 106.346 -37.8157 51.0057 60.0358 PRESSAVG: 3047400 -47.3627 -7.68344 -65.6705 -7.68351 10.6401 -1.85896 -65.6704 -1.85901 12.3901 GPRESSAVG: 3047400 -47.637 -9.24246 -66.1296 -8.02695 10.5019 -2.47722 -67.2071 -3.23071 12.3302 TIMING: 3047400 CPU: 9100.58, 0.00298816/step Wall: 9100.58, 0.00298816/step, 1.62075 hours remaining, 205.484375 MB of memory in use. ENERGY: 3047400 729.3924 2042.7975 1967.5686 121.5186 -206118.9435 17473.9155 0.0000 0.0000 34336.3055 -149447.4452 299.8675 -183783.7508 -149351.0601 298.4322 -149.9443 -117.9549 557898.3192 -8.1108 -8.2683 PRESSURE: 3047600 -234.37 64.8516 18.4531 64.8513 -60.6795 317.815 18.4535 317.816 266.28 GPRESSURE: 3047600 -176.165 17.3708 -6.76636 -11.4783 -51.525 309.931 14.3451 287.333 299.173 PRESSAVG: 3047600 89.4835 9.29709 -51.4002 9.29712 -37.949 -23.2791 -51.4004 -23.279 -32.9308 GPRESSAVG: 3047600 88.6303 7.45126 -52.0184 10.8179 -38.0322 -21.1499 -50.9435 -24.9772 -31.5335 TIMING: 3047600 CPU: 9101.18, 0.00300351/step Wall: 9101.18, 0.00300351/step, 1.6289 hours remaining, 205.484375 MB of memory in use. ENERGY: 3047600 774.2983 2079.9965 1918.7450 117.4890 -206302.5117 17709.4163 0.0000 0.0000 34286.9869 -149415.5796 299.4368 -183702.5665 -149321.1918 299.1095 -9.5897 23.8277 557913.9602 6.2012 6.3549 PRESSURE: 3047800 61.284 110.23 -19.2531 110.23 -19.7209 -129.192 -19.2524 -129.194 27.7649 GPRESSURE: 3047800 79.4821 129.19 -53.8254 110.451 17.7089 -146.471 16.6049 -52.1983 53.5608 PRESSAVG: 3047800 3.43857 6.35477 5.72945 6.35477 -67.2086 -3.93717 5.72935 -3.93712 32.3668 GPRESSAVG: 3047800 5.00902 7.7355 7.10863 4.74865 -66.638 -3.65348 6.09934 -3.74317 30.2626 TIMING: 3047800 CPU: 9101.78, 0.00303093/step Wall: 9101.78, 0.00303093/step, 1.6436 hours remaining, 205.484375 MB of memory in use. ENERGY: 3047800 736.2801 2110.7315 1937.2210 123.7672 -206828.7950 17943.1226 0.0000 0.0000 34304.8925 -149672.7801 299.5932 -183977.6726 -149569.8615 298.1836 23.1093 50.2506 557532.3210 -10.4677 -10.4555 PRESSURE: 3048000 -19.0308 138.026 61.131 138.025 20.1596 102.894 61.13 102.893 -62.2413 GPRESSURE: 3048000 60.8885 112.595 83.8322 120.844 98.6152 96.4411 31.6253 116.59 -119.178 PRESSAVG: 3048000 -33.2599 -15.0797 22.6261 -15.0797 63.0133 -14.7749 22.6261 -14.775 -7.41092 GPRESSAVG: 3048000 -33.8584 -15.3256 22.1073 -15.7118 62.0983 -13.6709 21.4293 -14.6841 -6.42963 TIMING: 3048000 CPU: 9102.39, 0.00301207/step Wall: 9102.39, 0.00301207/step, 1.63321 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: 3048000 754.3384 2059.9182 1924.3161 116.3512 -206444.2477 17832.0634 0.0000 0.0000 34173.9812 -149583.2791 298.4499 -183757.2604 -149485.8917 298.2941 -20.3709 13.4420 556797.9924 7.4475 7.2701 PRESSURE: 3048200 -2.24022 -211.961 15.0779 -211.962 123.538 9.53749 15.0784 9.53684 -258.727 GPRESSURE: 3048200 52.2496 -209.277 -55.8451 -302.215 65.6849 -53.9399 83.4531 95.044 -165.719 PRESSAVG: 3048200 26.0336 -32.907 14.3226 -32.9071 -24.4224 -20.5195 14.3227 -20.5195 35.8851 GPRESSAVG: 3048200 26.0077 -33.2302 12.8142 -31.5098 -24.0434 -22.7701 13.7282 -18.2048 35.6515 TIMING: 3048200 CPU: 9102.99, 0.00301762/step Wall: 9102.99, 0.00301762/step, 1.63605 hours remaining, 205.484375 MB of memory in use. ENERGY: 3048200 761.6213 2115.6616 1975.5091 108.0740 -206181.2402 17630.8433 0.0000 0.0000 34148.9974 -149440.5335 298.2317 -183589.5309 -149341.4827 299.0774 -45.8100 -15.9283 557981.0076 12.4988 12.5386 LDB: ============= START OF LOAD BALANCING ============== 9106.42 LDB: ============== END OF LOAD BALANCING =============== 9106.42 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9106.42 LDB: ============= START OF LOAD BALANCING ============== 9106.72 LDB: Largest compute 4821 load 0.030965 is 26.2% of average load 0.118149 LDB: Average compute 0.001731 is 1.5% of average load 0.118149 LDB: TIME 9106.72 LOAD: AVG 0.118149 MAX 0.20775 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 9106.72 LOAD: AVG 0.118149 MAX 0.20775 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.129 MB LDB: TIME 9106.73 LOAD: AVG 0.118149 MAX 0.20775 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.129 MB LDB: ============== END OF LOAD BALANCING =============== 9106.73 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9106.73 PRESSURE: 3048400 227.367 2.73371 74.6676 2.73429 -85.106 60.4011 74.6672 60.4026 169.021 GPRESSURE: 3048400 272.101 12.1214 29.3192 80.5321 -34.0171 142.747 107.986 76.415 170.044 PRESSAVG: 3048400 -5.96541 -23.1935 -42.0094 -23.1935 -21.0031 20.9158 -42.0093 20.9158 16.6964 GPRESSAVG: 3048400 -7.00642 -21.2407 -42.8403 -25.2555 -20.5625 21.9388 -40.5332 20.0191 17.3828 TIMING: 3048400 CPU: 9103.6, 0.00306283/step Wall: 9103.6, 0.00306283/step, 1.66039 hours remaining, 204.644531 MB of memory in use. ENERGY: 3048400 771.2613 2153.5377 1956.3771 101.8389 -206554.9989 17883.8644 0.0000 0.0000 34202.4512 -149485.6683 298.6985 -183688.1196 -149387.7689 299.4410 103.7606 136.0426 554936.5833 -3.4240 -3.3954 PRESSURE: 3048600 -195.714 119.773 106.327 119.774 -305.894 171.607 106.326 171.607 -127.12 GPRESSURE: 3048600 -227.027 134.385 30.1619 44.4827 -214.704 82.2483 139.078 204.634 -92.443 PRESSAVG: 3048600 -12.9125 -18.8617 -5.75052 -18.8617 6.75084 -23.9171 -5.75047 -23.9171 1.71242 GPRESSAVG: 3048600 -12.103 -19.739 -6.76569 -18.6732 6.81538 -25.8169 -5.70485 -25.6153 0.827581 TIMING: 3048600 CPU: 9104.2, 0.00299658/step Wall: 9104.2, 0.00299658/step, 1.62431 hours remaining, 204.847656 MB of memory in use. ENERGY: 3048600 748.2277 2085.5877 1944.1044 106.8640 -206006.6794 17506.5335 0.0000 0.0000 34121.8599 -149493.5022 297.9947 -183615.3621 -149392.2870 298.4635 -209.5759 -178.0579 556962.7564 -1.4831 -1.4867 PRESSURE: 3048800 133.164 -40.4446 7.20616 -40.4456 11.3932 -121.452 7.20634 -121.452 -79.8332 GPRESSURE: 3048800 130.281 -8.4886 -11.2767 -2.00287 55.6008 -107.297 64.7778 -29.8403 -23.1549 PRESSAVG: 3048800 3.55333 17.3551 -29.585 17.3551 -55.7072 3.61195 -29.5849 3.61189 -8.83751 GPRESSAVG: 3048800 3.92408 17.2226 -27.6273 16.9815 -56.0745 4.64595 -30.1203 6.06659 -8.48761 TIMING: 3048800 CPU: 9104.8, 0.00300613/step Wall: 9104.8, 0.00300613/step, 1.62932 hours remaining, 204.847656 MB of memory in use. ENERGY: 3048800 755.7076 2158.5671 1931.5050 117.3322 -206803.4035 18099.7222 0.0000 0.0000 34205.3172 -149535.2522 298.7235 -183740.5694 -149443.0779 297.8359 21.5746 54.2423 556701.1666 -20.3305 -20.2127 PRESSURE: 3049000 -126.289 73.2477 -3.64327 73.2491 32.3592 112.53 -3.64291 112.529 76.8525 GPRESSURE: 3049000 -36.6926 52.3087 -73.2969 63.2716 36.0759 55.5576 72.7526 39.869 91.3412 PRESSAVG: 3049000 6.04734 18.4995 20.0396 18.4994 -17.6219 -36.8673 20.0396 -36.8674 1.76683 GPRESSAVG: 3049000 6.3043 18.5005 21.2465 17.3148 -16.968 -36.464 19.8177 -39.3598 1.449 TIMING: 3049000 CPU: 9105.4, 0.00300124/step Wall: 9105.4, 0.00300124/step, 1.6265 hours remaining, 204.847656 MB of memory in use. ENERGY: 3049000 726.8917 2039.4464 1937.8647 101.5570 -206238.4204 17830.7513 0.0000 0.0000 34095.8828 -149506.0266 297.7678 -183601.9094 -149408.3602 298.7159 -5.6925 30.2415 556072.5442 -3.2693 -3.0716 PRESSURE: 3049200 -252.765 14.3576 5.41674 14.3575 -64.7226 -83.7828 5.41736 -83.783 -217.617 GPRESSURE: 3049200 -295.925 78.9774 57.1229 19.6903 24.6785 -152.586 14.6375 -21.8339 -182.443 PRESSAVG: 3049200 -30.8214 40.2049 -25.6825 40.205 34.2003 1.588 -25.6824 1.58802 14.7211 GPRESSAVG: 3049200 -31.0739 41.3229 -27.0505 42.2153 35.3025 0.745159 -24.6464 2.59768 13.5261 TIMING: 3049200 CPU: 9106, 0.00301029/step Wall: 9106, 0.00301029/step, 1.63124 hours remaining, 204.847656 MB of memory in use. ENERGY: 3049200 760.8586 2117.0451 1941.7165 121.4165 -206226.1454 17440.0962 0.0000 0.0000 34271.0530 -149573.9596 299.2976 -183845.0126 -149476.6542 298.6987 -178.3682 -151.2299 557215.8067 6.0333 5.9182 PRESSURE: 3049400 90.4715 -91.0489 -88.8314 -91.0483 149.205 -133.822 -88.8316 -133.822 189.016 GPRESSURE: 3049400 162.771 -159.378 -67.7214 -68.4056 177.944 -164.701 -103.546 -85.5996 178.251 PRESSAVG: 3049400 -88.7255 -5.29763 -17.6084 -5.29764 63.1825 -70.6789 -17.6084 -70.679 -12.7512 GPRESSAVG: 3049400 -87.7743 -6.21588 -14.3655 -5.75151 61.6459 -70.4094 -19.343 -70.9671 -12.4778 TIMING: 3049400 CPU: 9106.61, 0.00300578/step Wall: 9106.61, 0.00300578/step, 1.62863 hours remaining, 204.847656 MB of memory in use. ENERGY: 3049400 737.0001 2086.9515 1918.7245 108.0082 -206383.4405 17826.6864 0.0000 0.0000 34122.8793 -149583.1904 298.0036 -183706.0697 -149491.7168 297.9714 142.8973 172.9886 555389.2745 -12.7647 -12.8687 PRESSURE: 3049600 44.3408 82.5468 4.63018 82.5481 48.6627 -5.01993 4.63065 -5.02052 76.7397 GPRESSURE: 3049600 49.6998 5.84509 12.9568 132.05 134.097 63.0158 60.4142 -21.7963 81.1461 PRESSAVG: 3049600 4.08332 -18.0409 -15.0823 -18.041 35.768 -47.6788 -15.0824 -47.6788 3.15225 GPRESSAVG: 3049600 1.63015 -19.7887 -16.4107 -18.0895 37.2432 -46.7071 -14.0494 -46.9761 4.33714 TIMING: 3049600 CPU: 9107.21, 0.00301694/step Wall: 9107.21, 0.00301694/step, 1.63451 hours remaining, 204.847656 MB of memory in use. ENERGY: 3049600 754.1992 2108.1144 1924.4379 110.3200 -206142.7508 17836.1862 0.0000 0.0000 34048.9634 -149360.5298 297.3581 -183409.4931 -149267.9601 298.5028 56.5811 88.3142 556070.1383 14.3345 14.4035 PRESSURE: 3049800 50.1978 -129.931 -19.6086 -129.931 -26.3009 -49.9765 -19.6091 -49.976 -36.3431 GPRESSURE: 3049800 29.3952 -54.2372 26.2927 -124.819 -9.28583 -33.0558 -69.9491 -105.962 51.7832 PRESSAVG: 3049800 -62.0998 -43.7891 -22.9084 -43.7892 11.9516 -24.4425 -22.9084 -24.4425 19.1501 GPRESSAVG: 3049800 -60.9216 -41.7824 -23.2401 -41.3378 10.221 -25.8436 -22.6356 -24.7396 19.3081 TIMING: 3049800 CPU: 9107.81, 0.0030208/step Wall: 9107.81, 0.0030208/step, 1.63643 hours remaining, 204.847656 MB of memory in use. ENERGY: 3049800 769.5863 2137.1100 1934.7685 109.4003 -206253.9905 17892.1131 0.0000 0.0000 34104.4084 -149306.6038 297.8423 -183411.0123 -149216.3737 298.5475 -4.1487 23.9642 558349.9581 -10.3327 -10.4642 PRESSURE: 3050000 241.623 125.145 -7.25588 125.146 -107.362 167.698 -7.2557 167.699 -515.524 GPRESSURE: 3050000 197.106 19.4417 -57.4436 135.127 -42.9711 141.217 14.0503 192.352 -437.939 PRESSAVG: 3050000 18.329 23.1731 12.2319 23.1731 57.7698 31.5652 12.232 31.5652 -46.8222 GPRESSAVG: 3050000 18.9166 22.0201 12.0722 19.5971 58.6597 32.7005 12.8225 29.2796 -47.8193 TIMING: 3050000 CPU: 9108.42, 0.00302879/step Wall: 9108.42, 0.00302879/step, 1.64059 hours remaining, 204.847656 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: 3050000 757.5046 2062.8056 1921.9232 120.8491 -206240.7206 17746.2869 0.0000 0.0000 34417.8499 -149213.5013 300.5796 -183631.3512 -149111.2592 299.9050 -127.0874 -94.6015 558973.1201 9.7589 9.9190 PRESSURE: 3050200 -154.44 24.0058 120.572 24.005 -30.7784 -47.5713 120.574 -47.5697 -212.439 GPRESSURE: 3050200 -63.3022 77.7599 84.3996 -25.5623 -30.3481 -46.9927 42.1233 -92.7936 -208.9 PRESSAVG: 3050200 -55.576 4.13324 33.0808 4.13309 80.4894 14.5257 33.0808 14.5256 -13.3434 GPRESSAVG: 3050200 -55.614 5.12696 33.059 5.71649 79.9401 14.0693 32.8148 17.3404 -13.3105 TIMING: 3050200 CPU: 9109.03, 0.00303347/step Wall: 9109.03, 0.00303347/step, 1.64296 hours remaining, 204.847656 MB of memory in use. ENERGY: 3050200 726.3387 2079.1816 1916.3456 108.5860 -205885.4306 17616.8894 0.0000 0.0000 34319.0511 -149119.0382 299.7168 -183438.0893 -149023.6831 298.9784 -132.5524 -100.8502 559415.5670 3.8567 3.6718 PRESSURE: 3050400 -239.269 106.081 -9.85559 106.08 -87.9319 -74.2412 -9.85515 -74.2402 -138.376 GPRESSURE: 3050400 -227.324 108.047 32.1351 90.8586 -35.1518 -80.8234 49.4979 -50.8216 -96.1439 PRESSAVG: 3050400 4.71801 29.8819 48.9055 29.8818 20.3691 51.6746 48.9055 51.6747 -33.0988 GPRESSAVG: 3050400 4.64142 31.1486 48.879 29.4729 19.523 50.7167 48.9955 51.0558 -32.3605 TIMING: 3050400 CPU: 9109.63, 0.00304442/step Wall: 9109.63, 0.00304442/step, 1.64872 hours remaining, 204.847656 MB of memory in use. ENERGY: 3050400 721.3480 2045.0996 1899.3709 118.3342 -205620.4408 17475.7613 0.0000 0.0000 34464.0669 -148896.4599 300.9833 -183360.5268 -148801.4436 299.8442 -155.1924 -119.5398 557289.6652 -2.6705 -2.7320 PRESSURE: 3050600 -43.3319 -17.1609 -149.969 -17.1608 58.1875 -17.4862 -149.968 -17.4865 51.592 GPRESSURE: 3050600 23.3885 15.4564 -119.112 -78.4346 64.4024 -87.5346 -114.69 28.6808 72.51 PRESSAVG: 3050600 -62.1394 26.523 18.463 26.523 70.3807 -2.88984 18.463 -2.88983 -30.7904 GPRESSAVG: 3050600 -61.8386 26.2361 18.3642 25.615 69.9923 -2.19944 17.7628 -2.58173 -30.4861 TIMING: 3050600 CPU: 9110.24, 0.00300319/step Wall: 9110.24, 0.00300319/step, 1.62623 hours remaining, 204.847656 MB of memory in use. ENERGY: 3050600 772.7826 2090.2947 1936.5414 103.0373 -206117.3159 17817.1174 0.0000 0.0000 34490.7709 -148906.7716 301.2165 -183397.5426 -148809.0181 300.5711 22.1492 53.4336 557191.2567 -7.5164 -7.4441 PRESSURE: 3050800 -301.111 -37.5012 -73.427 -37.4999 -73.4615 155.851 -73.428 155.853 -28.9085 GPRESSURE: 3050800 -214.865 51.3253 -41.5847 -15.3789 -30.7995 237.101 -70.776 119.047 -52.9044 PRESSAVG: 3050800 -90.9534 -57.7339 52.0633 -57.7338 55.7804 14.4345 52.0633 14.4345 35.5479 GPRESSAVG: 3050800 -91.7837 -58.59 52.1632 -56.9064 56.1343 15.5672 52.4293 13.5116 35.6995 TIMING: 3050800 CPU: 9110.84, 0.00303818/step Wall: 9110.84, 0.00303818/step, 1.64501 hours remaining, 204.847656 MB of memory in use. ENERGY: 3050800 774.3165 2066.4603 1917.5396 115.5038 -205514.9135 17358.5586 0.0000 0.0000 34452.3331 -148830.2016 300.8808 -183282.5347 -148736.9417 300.5487 -134.4937 -99.5230 555945.4188 0.1250 0.0167 PRESSURE: 3051000 -117.364 71.4332 13.9755 71.4341 -279.445 8.10264 13.9762 8.10044 102.706 GPRESSURE: 3051000 -77.8815 93.1871 -8.61018 15.3712 -230.02 37.532 -59.0053 -6.24175 112.106 PRESSAVG: 3051000 -50.3988 -9.91504 7.8449 -9.91503 22.7951 6.44225 7.84487 6.44224 31.0459 GPRESSAVG: 3051000 -50.0531 -10.0414 8.83009 -11.8742 23.8782 5.65979 7.545 7.66831 29.8937 TIMING: 3051000 CPU: 9111.45, 0.00305274/step Wall: 9111.45, 0.00305274/step, 1.65272 hours remaining, 204.847656 MB of memory in use. ENERGY: 3051000 718.0979 2130.1451 1921.6890 120.7371 -205687.1350 17373.8219 0.0000 0.0000 34525.5153 -148897.1288 301.5199 -183422.6440 -148802.9329 300.1526 -98.0345 -65.2649 556373.8246 1.1474 1.2396 PRESSURE: 3051200 296.716 8.51416 188.841 8.51376 82.8594 162.742 188.842 162.744 134.254 GPRESSURE: 3051200 380.058 20.1481 104.258 62.4245 114.773 132.05 213.105 145.384 115.255 PRESSAVG: 3051200 -25.3565 2.44802 16.2358 2.44807 3.47923 8.34573 16.2358 8.34568 16.5412 GPRESSAVG: 3051200 -24.5331 5.22174 15.6969 3.97979 4.05509 8.18456 17.1655 6.41232 15.6137 TIMING: 3051200 CPU: 9112.06, 0.00301286/step Wall: 9112.06, 0.00301286/step, 1.63096 hours remaining, 204.847656 MB of memory in use. ENERGY: 3051200 721.9971 2118.2399 1959.9757 114.8696 -206013.8975 17813.9757 0.0000 0.0000 34361.9372 -148922.9023 300.0913 -183284.8395 -148829.7791 300.2321 171.2767 203.3620 555472.7607 -1.7787 -1.6214 PRESSURE: 3051400 -60.9859 126.31 44.3441 126.31 79.0651 -100.717 44.3439 -100.718 -185.239 GPRESSURE: 3051400 -67.4562 136.122 -52.3967 137.652 118.127 -178.15 56.1873 22.6423 -125.78 PRESSAVG: 3051400 -9.84035 39.1553 0.61239 39.1554 -16.4042 10.6209 0.612479 10.6208 34.4581 GPRESSAVG: 3051400 -11.138 37.5668 1.57638 38.0015 -16.9882 9.59462 1.45287 10.2467 36.4455 TIMING: 3051400 CPU: 9112.66, 0.00301335/step Wall: 9112.66, 0.00301335/step, 1.63106 hours remaining, 204.847656 MB of memory in use. ENERGY: 3051400 762.2305 2072.3051 1950.3162 117.1472 -206042.9157 17786.8450 0.0000 0.0000 34446.2584 -148907.8132 300.8277 -183354.0716 -148805.4892 301.2222 -55.7201 -25.0365 556756.9813 2.7379 2.7731 PRESSURE: 3051600 173.015 -47.2178 -24.1525 -47.2189 -28.986 83.2263 -24.1532 83.2257 -87.2382 GPRESSURE: 3051600 244.156 -46.9612 -85.3289 37.1108 -51.3056 48.7138 97.3189 97.763 -30.0627 PRESSAVG: 3051600 -57.6578 20.2258 -5.61417 20.2258 16.223 5.12417 -5.61428 5.1242 32.7055 GPRESSAVG: 3051600 -56.0763 20.5016 -7.18348 21.0122 16.0817 4.46638 -4.0579 7.51529 31.5849 TIMING: 3051600 CPU: 9113.26, 0.00300409/step Wall: 9113.26, 0.00300409/step, 1.62588 hours remaining, 204.847656 MB of memory in use. ENERGY: 3051600 729.2535 2092.3026 1963.2440 117.9976 -206069.5273 17720.5328 0.0000 0.0000 34634.2842 -148811.9127 302.4698 -183446.1969 -148710.5442 300.9709 18.9304 54.2626 557395.1032 -2.9098 -2.8032 PRESSURE: 3051800 -601.782 18.1905 98.9847 18.1892 -355.737 -43.4563 98.9854 -43.4576 -100.754 GPRESSURE: 3051800 -539.685 -0.113874 163.664 -9.68553 -354.706 57.9642 34.1827 -74.5881 -64.9833 PRESSAVG: 3051800 -41.8185 -64.979 41.0944 -64.979 51.7978 16.9225 41.0944 16.9225 -36.5438 GPRESSAVG: 3051800 -41.7249 -65.6429 41.7017 -63.7053 52.5169 18.0713 39.2584 15.923 -37.2358 TIMING: 3051800 CPU: 9113.86, 0.00300639/step Wall: 9113.86, 0.00300639/step, 1.62696 hours remaining, 204.847656 MB of memory in use. ENERGY: 3051800 761.7992 2122.8934 1946.9064 105.6968 -205748.1521 17419.2725 0.0000 0.0000 34398.4299 -148993.1539 300.4100 -183391.5838 -148890.4468 300.9495 -352.7577 -319.7915 557687.3337 -8.8548 -8.8146 PRESSURE: 3052000 132.102 -176.776 99.5121 -176.775 -61.5027 -45.6785 99.5121 -45.6788 81.1613 GPRESSURE: 3052000 158.766 -251.165 148.322 -175.694 -24.7703 -19.1099 23.0044 -31.7936 122.815 PRESSAVG: 3052000 -28.7098 -9.23608 28.9025 -9.23616 31.2386 22.8878 28.9025 22.8876 10.8594 GPRESSAVG: 3052000 -29.769 -9.58231 28.6643 -10.444 32.2488 24.4558 29.024 20.1434 11.3921 TIMING: 3052000 CPU: 9114.46, 0.00300989/step Wall: 9114.46, 0.00300989/step, 1.62869 hours remaining, 204.847656 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: 3052000 760.1593 2065.8654 1945.8962 117.2019 -205867.4191 17736.7606 0.0000 0.0000 34277.1982 -148964.3375 299.3513 -183241.5357 -148871.2752 300.2770 50.5869 85.6036 555634.5887 4.4627 4.6240 PRESSURE: 3052200 -334.417 263.644 159.025 263.643 -148.279 75.4789 159.024 75.4796 9.37955 GPRESSURE: 3052200 -288.447 253.269 211.695 247.597 -168.952 128.068 182.323 23.6248 76.1392 PRESSAVG: 3052200 5.98905 51.6796 58.0661 51.6796 9.81693 53.7236 58.0661 53.7236 9.50392 GPRESSAVG: 3052200 5.92993 53.0991 58.7396 50.6778 8.75121 51.9002 58.4943 55.1952 11.1247 TIMING: 3052200 CPU: 9115.07, 0.00301542/step Wall: 9115.07, 0.00301542/step, 1.63151 hours remaining, 204.847656 MB of memory in use. ENERGY: 3052200 771.8278 2056.9144 1949.2251 119.2167 -205691.5414 17420.2888 0.0000 0.0000 34415.8359 -148958.2326 300.5621 -183374.0685 -148855.4409 299.9263 -157.7723 -127.0866 559766.0780 8.4366 8.6020 LDB: ============= START OF LOAD BALANCING ============== 9118.5 LDB: ============== END OF LOAD BALANCING =============== 9118.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9118.5 LDB: ============= START OF LOAD BALANCING ============== 9118.8 LDB: Largest compute 4821 load 0.030731 is 26.0% of average load 0.118078 LDB: Average compute 0.001743 is 1.5% of average load 0.118078 LDB: TIME 9118.81 LOAD: AVG 0.118078 MAX 0.207978 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.383 MB LDB: TIME 9118.81 LOAD: AVG 0.118078 MAX 0.207978 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.59 MB LDB: TIME 9118.81 LOAD: AVG 0.118078 MAX 0.207978 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9118.81 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9118.81 PRESSURE: 3052400 -137.43 -62.7489 17.9529 -62.7482 43.8287 98.0296 17.953 98.0292 7.24153 GPRESSURE: 3052400 -112.922 -34.7345 -50.5709 -42.2925 55.1781 131.81 76.1196 101.103 62.6658 PRESSAVG: 3052400 -74.8428 51.9444 15.0977 51.9444 -13.8578 -0.663556 15.0977 -0.663645 78.6671 GPRESSAVG: 3052400 -74.4045 49.7998 13.2422 54.7254 -13.7563 -0.639211 16.275 -0.587299 78.5571 TIMING: 3052400 CPU: 9115.68, 0.00308187/step Wall: 9115.68, 0.00308187/step, 1.66729 hours remaining, 206.902344 MB of memory in use. ENERGY: 3052400 705.5172 2065.1256 1947.5417 116.3068 -206082.0449 17616.0184 0.0000 0.0000 34426.3575 -149205.1776 300.6539 -183631.5351 -149111.3902 299.8023 -28.7866 1.6406 558175.5291 -3.3445 -3.2012 PRESSURE: 3052600 66.3947 -14.4412 -33.0212 -14.441 -85.2021 -10.723 -33.0205 -10.7228 205.524 GPRESSURE: 3052600 53.0559 2.15745 6.73974 -29.2126 -51.1965 42.9777 -102.359 -117.629 283.029 PRESSAVG: 3052600 -78.0117 9.34998 20.1877 9.34989 -25.0659 42.447 20.1877 42.447 105.813 GPRESSAVG: 3052600 -79.446 9.86788 22.7873 9.61768 -24.2665 45.504 18.6837 40.584 106.843 TIMING: 3052600 CPU: 9116.29, 0.00303048/step Wall: 9116.29, 0.00303048/step, 1.63932 hours remaining, 206.902344 MB of memory in use. ENERGY: 3052600 749.1954 2074.4530 1933.6124 114.7051 -206234.2542 17826.9427 0.0000 0.0000 34255.4155 -149279.9301 299.1611 -183535.3456 -149187.3454 299.0579 62.2388 94.9628 557385.7694 0.9119 1.0436 PRESSURE: 3052800 161.222 103.042 171.705 103.041 328.122 52.6684 171.706 52.6689 -72.7288 GPRESSURE: 3052800 209.601 129.946 184.143 116.551 317.714 -30.454 96.4746 62.1455 -6.2181 PRESSAVG: 3052800 47.0891 1.06803 21.1226 1.06809 -22.0874 -9.887 21.1225 -9.88711 3.43868 GPRESSAVG: 3052800 49.7792 1.33006 20.5643 0.60797 -22.7546 -12.9618 21.4057 -5.80843 1.54884 TIMING: 3052800 CPU: 9116.89, 0.00303028/step Wall: 9116.89, 0.00303028/step, 1.63904 hours remaining, 206.902344 MB of memory in use. ENERGY: 3052800 755.5970 2052.6089 1936.7434 107.6611 -206374.8445 18065.9161 0.0000 0.0000 34211.3612 -149244.9568 298.7763 -183456.3179 -149153.3258 299.6984 138.8718 173.6988 557967.2696 9.4802 9.5245 PRESSURE: 3053000 -138.946 24.5336 -55.3593 24.5322 -54.2094 167.066 -55.3598 167.067 -66.6493 GPRESSURE: 3053000 -67.9804 39.2399 19.1415 28.1564 -54.8935 128.902 -120.561 131.659 -44.2014 PRESSAVG: 3053000 56.3786 -21.8733 6.7677 -21.8732 8.97213 42.8331 6.7677 42.833 -103.93 GPRESSAVG: 3053000 56.2154 -21.9639 6.93757 -22.9238 8.35378 44.5968 5.88259 38.7106 -102.719 TIMING: 3053000 CPU: 9117.49, 0.00299787/step Wall: 9117.49, 0.00299787/step, 1.62135 hours remaining, 206.902344 MB of memory in use. ENERGY: 3053000 785.5067 2079.4590 1908.4983 119.7452 -206342.8626 17894.5285 0.0000 0.0000 34305.3327 -149249.7923 299.5970 -183555.1250 -149155.8416 298.6942 -86.6015 -55.6918 559217.8500 -12.8596 -12.7166 PRESSURE: 3053200 -150.986 -80 9.81274 -80.0018 -69.2603 61.9076 9.81148 61.9077 -86.5965 GPRESSURE: 3053200 -112.323 -149.911 73.582 -17.8185 -76.5968 69.4331 -60.8651 20.9296 -31.5037 PRESSAVG: 3053200 20.3438 -9.35021 12.509 -9.35026 -20.1715 81.3813 12.509 81.3813 18.4357 GPRESSAVG: 3053200 20.0688 -6.74526 11.5752 -11.7645 -21.001 80.4401 11.636 83.7225 20.076 TIMING: 3053200 CPU: 9118.09, 0.00300278/step Wall: 9118.09, 0.00300278/step, 1.62384 hours remaining, 206.902344 MB of memory in use. ENERGY: 3053200 740.4264 2090.7639 1933.4313 119.9568 -206061.4422 17699.9814 0.0000 0.0000 34197.3413 -149279.5411 298.6539 -183476.8824 -149191.1565 299.7029 -102.2810 -73.4746 559723.9322 6.2027 6.3813 PRESSURE: 3053400 -201.578 172.914 127.122 172.914 -36.0802 171.318 127.122 171.317 71.8244 GPRESSURE: 3053400 -137.529 25.5437 165.141 189.556 -71.8899 171.01 111.843 120.841 136.508 PRESSAVG: 3053400 -5.21726 13.1744 24.07 13.1744 -1.84714 41.1187 24.07 41.1187 -19.1119 GPRESSAVG: 3053400 -4.47598 11.2464 23.1978 14.5701 -0.961359 41.2911 23.3312 41.3649 -20.8418 TIMING: 3053400 CPU: 9118.69, 0.0029991/step Wall: 9118.69, 0.0029991/step, 1.62168 hours remaining, 206.902344 MB of memory in use. ENERGY: 3053400 776.3500 2107.8294 1922.6953 101.4184 -206270.2389 17882.0966 0.0000 0.0000 34215.0565 -149264.7927 298.8086 -183479.8492 -149171.1863 299.1692 -55.2778 -24.3036 559106.1633 -8.7254 -8.7597 PRESSURE: 3053600 -115.446 33.8643 17.6645 33.8629 -212.105 -19.0235 17.6628 -19.022 -29.4988 GPRESSURE: 3053600 -41.1164 -103.975 -56.8623 131.741 -138.014 34.06 59.5563 28.7033 -66.3309 PRESSAVG: 3053600 -4.2938 27.1618 -3.63345 27.1617 -24.4098 33.9787 -3.63347 33.9788 31.0851 GPRESSAVG: 3053600 -5.10796 24.0324 -3.55901 30.123 -23.6556 35.2559 -1.82061 32.8953 31.2795 TIMING: 3053600 CPU: 9119.29, 0.00299688/step Wall: 9119.29, 0.00299688/step, 1.62031 hours remaining, 206.902344 MB of memory in use. ENERGY: 3053600 754.4136 2125.2052 1924.2350 112.2106 -206129.7470 17646.2040 0.0000 0.0000 34232.9964 -149334.4822 298.9653 -183567.4786 -149241.2489 299.1867 -119.0167 -81.8206 558487.3822 0.7938 0.8387 PRESSURE: 3053800 -111.962 197.114 -9.79128 197.115 -55.4119 133.696 -9.79025 133.696 -128.708 GPRESSURE: 3053800 -153.463 360.471 6.31055 134.864 18.464 151.119 9.23459 166.689 -55.9073 PRESSAVG: 3053800 -6.14101 63.1994 -7.81222 63.1994 22.4888 -5.53869 -7.81217 -5.53874 -39.252 GPRESSAVG: 3053800 -5.53335 65.8531 -7.60097 62.0607 22.357 -6.41455 -6.64087 -4.21793 -40.1474 TIMING: 3053800 CPU: 9119.9, 0.00302543/step Wall: 9119.9, 0.00302543/step, 1.63558 hours remaining, 206.902344 MB of memory in use. ENERGY: 3053800 766.2111 2105.5472 1915.6700 108.4791 -206174.4694 17583.3604 0.0000 0.0000 34466.4771 -149228.7246 301.0043 -183695.2017 -149135.0686 299.1443 -98.6941 -63.6354 556754.4234 -7.6347 -7.7746 PRESSURE: 3054000 -282.321 -92.307 5.6402 -92.3055 -33.018 -53.2786 5.64095 -53.2782 -210.684 GPRESSURE: 3054000 -238.724 -87.073 35.8597 -66.3789 -44.9415 -97.8841 11.5777 -145.474 -152.002 PRESSAVG: 3054000 -16.2557 -15.0559 26.1465 -15.0559 30.573 19.5715 26.1465 19.5715 4.14091 GPRESSAVG: 3054000 -15.8337 -15.5072 28.1332 -14.9788 29.9697 17.5405 23.403 17.2148 3.6572 TIMING: 3054000 CPU: 9120.51, 0.00305351/step Wall: 9120.51, 0.00305351/step, 1.65059 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: 3054000 743.4298 2090.4937 1924.0677 120.4529 -205613.3873 17541.0190 0.0000 0.0000 34268.0333 -148925.8909 299.2713 -183193.9242 -148831.9395 299.4391 -175.3410 -145.2224 559236.9109 6.1527 5.9311 PRESSURE: 3054200 -27.8309 -201 18.5791 -201 -43.4901 86.7852 18.5787 86.7822 88.6536 GPRESSURE: 3054200 25.3373 -265.254 -71.4266 -179.25 31.3777 47.4236 105.327 96.7796 35.6357 PRESSAVG: 3054200 -74.0997 6.52948 12.8932 6.5295 41.5944 -77.251 12.8932 -77.2508 59.6044 GPRESSAVG: 3054200 -73.6486 4.12699 11.0523 6.70799 42.7071 -74.4527 14.4335 -76.8605 58.6557 TIMING: 3054200 CPU: 9121.12, 0.00303848/step Wall: 9121.12, 0.00303848/step, 1.6423 hours remaining, 206.902344 MB of memory in use. ENERGY: 3054200 737.6257 2155.6039 1958.4386 102.6513 -206161.0476 17807.7010 0.0000 0.0000 34410.8731 -148988.1539 300.5187 -183399.0269 -148900.0537 300.1044 5.7775 30.7836 557402.7329 9.0330 9.2381 PRESSURE: 3054400 -27.7498 -8.63325 177 -8.63279 61.7608 72.0926 176.999 72.0919 -59.9731 GPRESSURE: 3054400 -37.4774 -59.8911 131.677 5.65779 121.305 75.2002 198.751 -10.8155 -8.92509 PRESSAVG: 3054400 -27.5013 -24.8027 23.1484 -24.8027 -8.61032 23.9865 23.1483 23.9864 36.3669 GPRESSAVG: 3054400 -28.7472 -22.9394 24.2123 -25.0415 -9.80696 23.7598 22.1984 22.9236 38.3605 TIMING: 3054400 CPU: 9121.73, 0.00304397/step Wall: 9121.73, 0.00304397/step, 1.6451 hours remaining, 206.902344 MB of memory in use. ENERGY: 3054400 739.1357 2100.0764 1927.9532 107.5961 -206029.0968 17753.6974 0.0000 0.0000 34368.1198 -149032.5182 300.1453 -183400.6380 -148939.9648 300.6597 -8.6540 24.9675 557988.6488 0.0851 -0.0645 PRESSURE: 3054600 -71.2077 42.3377 75.0208 42.3373 149.518 -49.0775 75.0206 -49.0761 297.79 GPRESSURE: 3054600 -7.75591 8.36773 113.233 40.4129 159.25 -8.18255 71.8885 -124.112 318.951 PRESSAVG: 3054600 -97.5186 -26.7386 3.63794 -26.7385 -22.1318 20.6809 3.63794 20.6808 93.7169 GPRESSAVG: 3054600 -98.2108 -27.8352 4.10049 -27.6901 -21.5052 20.2238 4.76036 23.2105 93.5127 TIMING: 3054600 CPU: 9122.34, 0.0030511/step Wall: 9122.34, 0.0030511/step, 1.64878 hours remaining, 206.902344 MB of memory in use. ENERGY: 3054600 730.8160 2122.2989 1966.3414 111.9533 -206595.6221 18199.3868 0.0000 0.0000 34367.6151 -149097.2107 300.1409 -183464.8258 -148999.9938 299.1939 125.3669 156.8149 559321.8103 -8.6445 -8.7344 PRESSURE: 3054800 -300.651 80.3444 -30.0769 80.3444 -187.315 -63.9508 -30.0768 -63.9515 108.385 GPRESSURE: 3054800 -250.025 111.208 3.65834 117.162 -173.771 22.9976 -35.5139 -59.5921 140.021 PRESSAVG: 3054800 -9.21556 29.1835 20.1229 29.1834 -29.8044 23.7138 20.1229 23.7138 36.4259 GPRESSAVG: 3054800 -9.38749 28.3411 20.474 29.64 -28.5294 26.0641 19.1215 21.8344 35.2206 TIMING: 3054800 CPU: 9122.94, 0.0030166/step Wall: 9122.94, 0.0030166/step, 1.62997 hours remaining, 206.902344 MB of memory in use. ENERGY: 3054800 780.4055 2068.8078 1931.1717 105.5621 -205930.1154 17779.4019 0.0000 0.0000 34287.8912 -148976.8753 299.4447 -183264.7665 -148889.2716 300.1013 -126.5270 -94.5916 559045.2313 -0.8647 -0.8988 PRESSURE: 3055000 -224.558 56.7485 173.508 56.7483 -296.444 -4.72155 173.509 -4.72201 -130.826 GPRESSURE: 3055000 -165.256 3.50446 88.1706 139.014 -280.219 -56.2259 207.094 81.6111 -111.708 PRESSAVG: 3055000 15.7874 30.5074 -5.24374 30.5074 -54.1011 23.7516 -5.24364 23.7517 38.2079 GPRESSAVG: 3055000 16.0256 31.408 -6.48308 30.3877 -54.2086 21.0813 -3.8887 24.551 37.9492 TIMING: 3055000 CPU: 9123.54, 0.00302136/step Wall: 9123.54, 0.00302136/step, 1.63237 hours remaining, 206.902344 MB of memory in use. ENERGY: 3055000 742.9106 2085.7528 1927.5738 108.5190 -205743.9223 17580.9369 0.0000 0.0000 34394.1258 -148904.1033 300.3725 -183298.2291 -148806.0635 300.4015 -217.2763 -185.7279 559475.7534 -0.0353 -0.0779 PRESSURE: 3055200 -23.3235 -157.737 3.35637 -157.739 -231.199 -88.8829 3.35736 -88.8826 -98.981 GPRESSURE: 3055200 -36.5225 -244.182 5.26454 -52.3329 -180.434 -99.7843 -104.218 -100.598 -27.7404 PRESSAVG: 3055200 -10.1536 -40.4451 -20.8386 -40.445 -30.0006 -33.9316 -20.8385 -33.9317 28.5709 GPRESSAVG: 3055200 -9.38264 -39.3567 -20.683 -39.4167 -30.7941 -33.392 -21.9011 -34.7123 28.0584 TIMING: 3055200 CPU: 9124.15, 0.00304243/step Wall: 9124.15, 0.00304243/step, 1.64359 hours remaining, 206.902344 MB of memory in use. ENERGY: 3055200 766.6355 2090.5860 1906.6241 103.5019 -205845.0493 17772.0112 0.0000 0.0000 34430.2400 -148775.4505 300.6878 -183205.6905 -148676.4429 300.7838 -117.8345 -81.5656 558508.6128 -3.8611 -4.0394 PRESSURE: 3055400 -184.643 -83.8391 -27.7513 -83.8388 -107.141 2.71582 -27.7508 2.71548 -124.962 GPRESSURE: 3055400 -126.273 -71.7017 -39.4042 -119.761 -68.088 49.5523 18.099 -3.67531 -111.961 PRESSAVG: 3055400 -4.5477 20.6577 2.27633 20.6578 14.319 -17.9347 2.2764 -17.9347 -0.405647 GPRESSAVG: 3055400 -6.31282 21.8257 2.86293 18.955 16.1523 -18.8084 2.08156 -17.3377 -0.153865 TIMING: 3055400 CPU: 9124.76, 0.00302515/step Wall: 9124.76, 0.00302515/step, 1.63408 hours remaining, 206.902344 MB of memory in use. ENERGY: 3055400 765.1433 2094.1726 1934.8441 112.2582 -205709.5115 17642.2255 0.0000 0.0000 34317.1222 -148843.7456 299.7000 -183160.8678 -148752.3833 300.3911 -138.9155 -102.1074 558236.0203 3.1219 3.2285 PRESSURE: 3055600 -125.321 24.3455 -117.645 24.3463 182.075 -96.0065 -117.645 -96.0062 -172.983 GPRESSURE: 3055600 -86.0633 -2.58729 -207.896 34.4907 210.591 -103.603 -164.186 -126.169 -142.331 PRESSAVG: 3055600 21.9884 32.6543 6.56273 32.6544 -16.4864 -77.699 6.56277 -77.699 13.124 GPRESSAVG: 3055600 21.1179 30.3815 4.36193 34.1603 -17.1383 -76.3606 9.42355 -79.141 14.7737 TIMING: 3055600 CPU: 9125.37, 0.00304883/step Wall: 9125.37, 0.00304883/step, 1.64671 hours remaining, 206.902344 MB of memory in use. ENERGY: 3055600 770.9656 2070.0051 1926.8572 115.8964 -205662.7045 17786.3162 0.0000 0.0000 34236.0429 -148756.6210 298.9919 -182992.6639 -148664.8245 299.6223 -38.7429 -5.9347 558838.2738 6.2087 6.2511 PRESSURE: 3055800 138.588 -78.1981 18.4447 -78.1997 -71.5297 -12.9379 18.4439 -12.938 75.5365 GPRESSURE: 3055800 111.751 -17.7812 100.542 -88.3431 6.81197 -46.8221 -29.2172 74.4479 128.794 PRESSAVG: 3055800 1.46905 -16.57 5.88791 -16.5699 16.1612 -12.926 5.88786 -12.9261 -8.19083 GPRESSAVG: 3055800 2.98728 -16.1636 7.89945 -17.7054 15.2621 -12.2038 4.40246 -11.3639 -8.87626 TIMING: 3055800 CPU: 9125.97, 0.0030079/step Wall: 9125.97, 0.0030079/step, 1.62443 hours remaining, 206.902344 MB of memory in use. ENERGY: 3055800 709.8141 2094.7268 1906.7086 110.0062 -205698.4947 17842.0386 0.0000 0.0000 34250.1091 -148785.0913 299.1147 -183035.2004 -148692.0580 300.0001 47.5315 82.4522 558828.4028 3.1465 3.1244 PRESSURE: 3056000 -136.843 -14.1471 96.658 -14.1485 -56.1572 84.6312 96.659 84.6323 -171.442 GPRESSURE: 3056000 -95.0802 40.5683 150.149 -54.6402 -45.2667 114.929 86.0888 137.507 -114.374 PRESSAVG: 3056000 -59.1557 -14.6342 24.8474 -14.6341 9.70902 39.7613 24.8474 39.7612 -12.2924 GPRESSAVG: 3056000 -59.0995 -14.2141 24.4377 -14.8615 10.9583 40.3826 24.1748 39.5309 -13.4907 TIMING: 3056000 CPU: 9126.57, 0.00302773/step Wall: 9126.57, 0.00302773/step, 1.63497 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: 3056000 730.6405 2094.4398 1920.5939 103.5339 -205485.3249 17441.3940 0.0000 0.0000 34299.2529 -148895.4699 299.5439 -183194.7228 -148798.1472 300.2999 -121.4807 -84.9069 559018.2372 -20.5797 -20.5440 PRESSURE: 3056200 124.877 173.036 -252.703 173.038 58.0889 102.745 -252.703 102.748 101.345 GPRESSURE: 3056200 121.654 231.529 -169.066 123.75 104.334 89.4076 -214.083 107.588 154.795 PRESSAVG: 3056200 -27.2858 18.645 -43.2615 18.645 3.79099 12.2593 -43.2614 12.2592 50.2407 GPRESSAVG: 3056200 -28.1559 18.3669 -42.9832 20.3255 3.45318 9.39869 -43.5416 13.0389 51.3606 TIMING: 3056200 CPU: 9127.18, 0.00303893/step Wall: 9127.18, 0.00303893/step, 1.64086 hours remaining, 206.902344 MB of memory in use. ENERGY: 3056200 740.0359 2050.7064 1903.7782 109.1637 -205787.7684 17907.0530 0.0000 0.0000 34145.2142 -148931.8170 298.1986 -183077.0312 -148845.8212 299.9286 94.7706 126.9278 558888.4575 8.9153 8.8860 LDB: ============= START OF LOAD BALANCING ============== 9130.61 LDB: ============== END OF LOAD BALANCING =============== 9130.61 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9130.62 LDB: ============= START OF LOAD BALANCING ============== 9130.92 LDB: Largest compute 4821 load 0.029986 is 25.4% of average load 0.118074 LDB: Average compute 0.001738 is 1.5% of average load 0.118074 LDB: TIME 9130.92 LOAD: AVG 0.118074 MAX 0.207839 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 9130.92 LOAD: AVG 0.118074 MAX 0.207839 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.254 MB LDB: TIME 9130.92 LOAD: AVG 0.118074 MAX 0.207839 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.254 MB LDB: ============== END OF LOAD BALANCING =============== 9130.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9130.93 PRESSURE: 3056400 21.6792 -162.751 -73.2756 -162.75 -190.124 1.86584 -73.2763 1.86689 -87.5109 GPRESSURE: 3056400 66.6549 -235.189 -60.3483 -57.4711 -149.802 8.54099 -110.214 -2.663 -66.0582 PRESSAVG: 3056400 -34.6548 -8.10628 3.26648 -8.10626 13.0041 13.3029 3.26643 13.3029 45.7556 GPRESSAVG: 3056400 -32.8221 -7.38326 4.37872 -8.76264 12.1716 12.9265 1.61936 12.2026 44.276 TIMING: 3056400 CPU: 9127.8, 0.00308791/step Wall: 9127.8, 0.00308791/step, 1.66713 hours remaining, 205.882812 MB of memory in use. ENERGY: 3056400 733.3349 2115.9969 1934.6529 116.8586 -206241.4990 17828.5087 0.0000 0.0000 34500.3716 -149011.7753 301.3003 -183512.1470 -148918.4984 299.8180 -85.3186 -49.7352 557610.9660 8.0350 7.8751 PRESSURE: 3056600 277.479 -56.5314 -103.386 -56.5318 68.0771 -180.619 -103.386 -180.62 153.044 GPRESSURE: 3056600 318.952 -46.4888 -86.5833 -120.001 58.5192 -272.826 -121.81 -161.434 218.69 PRESSAVG: 3056600 7.22447 -34.243 -47.7224 -34.2431 -37.3129 -32.0676 -47.7224 -32.0676 10.9716 GPRESSAVG: 3056600 6.18667 -35.6633 -47.9741 -33.5174 -38.4841 -30.8959 -46.0808 -30.7208 12.475 TIMING: 3056600 CPU: 9128.41, 0.003034/step Wall: 9128.41, 0.003034/step, 1.63786 hours remaining, 205.882812 MB of memory in use. ENERGY: 3056600 712.2068 2085.6782 1917.7268 109.0504 -206099.1270 17964.4788 0.0000 0.0000 34277.3904 -149032.5956 299.3530 -183309.9860 -148941.7235 300.1981 166.2000 198.7205 558310.4089 -6.3723 -6.6075 PRESSURE: 3056800 121.547 67.704 48.5391 67.7044 -332.116 -152.611 48.5393 -152.612 26.4249 GPRESSURE: 3056800 132.486 109.866 10.8538 51.736 -283.25 -72.0061 6.1947 -184.902 68.8652 PRESSAVG: 3056800 21.9407 19.6294 -23.3385 19.6294 6.15929 -23.5925 -23.3386 -23.5926 -3.75057 GPRESSAVG: 3056800 20.8338 21.1595 -23.8364 18.8585 6.56228 -25.6084 -23.1664 -21.9897 -2.9974 TIMING: 3056800 CPU: 9129.01, 0.00302227/step Wall: 9129.01, 0.00302227/step, 1.63135 hours remaining, 205.882812 MB of memory in use. ENERGY: 3056800 755.8829 2079.7486 1938.2835 101.4603 -205694.0126 17596.4696 0.0000 0.0000 34261.8149 -148960.3528 299.2170 -183222.1677 -148869.1313 299.8974 -61.3813 -27.2996 559134.0268 8.1165 8.1329 PRESSURE: 3057000 -144.673 44.9536 -9.97002 44.9531 -237.371 67.7146 -9.96919 67.7149 -57.4328 GPRESSURE: 3057000 -85.5441 114.021 -9.98703 -56.9528 -176.976 110.555 -10.7476 108.504 -76.2256 PRESSAVG: 3057000 48.8448 20.7904 -0.0683994 20.7903 -14.2473 -24.5038 -0.0684409 -24.5038 -3.76682 GPRESSAVG: 3057000 50.2642 22.2054 -1.132 18.6797 -13.8177 -22.4095 0.684786 -26.493 -5.70254 TIMING: 3057000 CPU: 9129.62, 0.00304001/step Wall: 9129.62, 0.00304001/step, 1.64076 hours remaining, 205.882812 MB of memory in use. ENERGY: 3057000 713.5240 2098.4917 1937.5902 112.6370 -205563.0069 17352.6672 0.0000 0.0000 34384.5393 -148963.5573 300.2887 -183348.0966 -148866.2202 299.3730 -146.4924 -112.9152 556262.6757 10.2769 10.2480 PRESSURE: 3057200 129.371 89.1008 29.9526 89.1008 14.2235 13.1984 29.953 13.1984 -77.0546 GPRESSURE: 3057200 149.474 184.741 49.5299 59.0782 71.7542 57.8276 44.9193 0.360962 -51.5961 PRESSAVG: 3057200 35.7285 3.39016 31.391 3.39012 22.1365 12.0092 31.391 12.0092 -47.2501 GPRESSAVG: 3057200 33.6735 2.64462 33.0966 4.38178 22.6345 12.5488 30.7641 10.6452 -46.8285 TIMING: 3057200 CPU: 9130.23, 0.00303892/step Wall: 9130.23, 0.00303892/step, 1.64 hours remaining, 205.882812 MB of memory in use. ENERGY: 3057200 735.8000 2080.7089 1911.7975 118.0898 -206023.6969 17675.2099 0.0000 0.0000 34607.6442 -148894.4465 302.2372 -183502.0907 -148790.6334 300.1649 22.1801 56.5440 554752.9230 3.5383 3.1598 PRESSURE: 3057400 129.364 113.019 43.0369 113.018 -204.334 23.376 43.0367 23.3754 137.917 GPRESSURE: 3057400 165.355 88.2222 24.5578 145.942 -173.724 -57.3047 85.2837 69.0995 162.894 PRESSAVG: 3057400 30.4591 25.3741 -8.96772 25.3742 23.3576 -31.2339 -8.9677 -31.2339 -32.8114 GPRESSAVG: 3057400 32.2253 25.0808 -8.65992 26.0909 22.6217 -32.6285 -8.20424 -28.699 -33.8609 TIMING: 3057400 CPU: 9130.83, 0.00302657/step Wall: 9130.83, 0.00302657/step, 1.63317 hours remaining, 205.882812 MB of memory in use. ENERGY: 3057400 749.8205 2076.2628 1914.2764 104.5492 -205620.4124 17604.6933 0.0000 0.0000 34327.9475 -148842.8627 299.7945 -183170.8101 -148741.1149 299.8881 20.9822 51.5084 556943.7947 7.0018 6.9954 PRESSURE: 3057600 -138.832 -151.971 -111.462 -151.971 472.791 120.017 -111.464 120.016 154.772 GPRESSURE: 3057600 -99.3105 -185.464 -114.223 -69.1513 498.868 41.9711 -136.766 105.808 180.974 PRESSAVG: 3057600 -24.5118 -42.1682 -34.6434 -42.1681 -15.1278 -32.3533 -34.6435 -32.3532 58.307 GPRESSAVG: 3057600 -25.0917 -42.4639 -35.5615 -40.3118 -15.6527 -31.4459 -32.8638 -33.9604 58.9247 TIMING: 3057600 CPU: 9131.43, 0.00301411/step Wall: 9131.43, 0.00301411/step, 1.62628 hours remaining, 205.933594 MB of memory in use. ENERGY: 3057600 717.9535 2079.1310 1924.4169 109.6401 -205958.0582 17922.4564 0.0000 0.0000 34456.5938 -148747.8664 300.9180 -183204.4602 -148648.3201 300.0158 162.9099 193.5104 557222.2926 6.2225 6.0601 PRESSURE: 3057800 78.6864 -89.7679 -63.9457 -89.7682 54.7572 62.0208 -63.9457 62.0215 266.86 GPRESSURE: 3057800 127.613 -182.625 -151.253 -64.0527 77.1659 119.485 -24.0574 14.2995 289.367 PRESSAVG: 3057800 -29.2081 -2.44998 26.5908 -2.44991 26.2284 45.0495 26.5908 45.0496 -43.8519 GPRESSAVG: 3057800 -31.0356 -1.58822 24.4962 -2.27339 27.4206 46.4992 25.2716 45.1056 -43.6922 TIMING: 3057800 CPU: 9132.04, 0.00300176/step Wall: 9132.04, 0.00300176/step, 1.61945 hours remaining, 205.933594 MB of memory in use. ENERGY: 3057800 735.2057 2049.4898 1928.9263 127.2132 -206149.3286 18013.3739 0.0000 0.0000 34302.0843 -148993.0354 299.5686 -183295.1197 -148897.4686 300.1336 133.4345 164.7151 558692.3109 -15.6105 -15.7691 PRESSURE: 3058000 -120.92 5.48436 158.025 5.4848 130.72 -141.765 158.025 -141.765 -206.714 GPRESSURE: 3058000 -87.3291 1.71732 110.02 -56.3117 168.178 -191.788 59.4511 -175.62 -187.579 PRESSAVG: 3058000 10.6738 -4.78595 25.9354 -4.78595 34.8851 13.4838 25.9355 13.4838 -29.192 GPRESSAVG: 3058000 12.2125 -4.42914 27.0021 -7.97898 34.8912 13.4567 24.5699 13.0826 -30.638 TIMING: 3058000 CPU: 9132.64, 0.00301945/step Wall: 9132.64, 0.00301945/step, 1.62883 hours remaining, 205.933594 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: 3058000 739.9194 2086.9003 1930.6052 132.4934 -205719.9467 17604.0808 0.0000 0.0000 34338.0649 -148887.8827 299.8829 -183225.9476 -148786.6824 300.1499 -65.6379 -35.5767 558295.8886 5.4556 5.4885 PRESSURE: 3058200 -327.299 -77.295 184.457 -77.2955 -396.418 -85.4683 184.458 -85.4687 -513.356 GPRESSURE: 3058200 -292.98 -48.4173 212.537 -44.8529 -299.859 -71.954 141.502 -100.4 -541.148 PRESSAVG: 3058200 -70.6157 -35.4445 29.8509 -35.4445 72.9918 -1.16816 29.851 -1.16812 -19.9435 GPRESSAVG: 3058200 -70.2449 -36.6685 31.0177 -32.9235 71.3229 -1.76208 30.3743 -2.84566 -19.0829 TIMING: 3058200 CPU: 9133.25, 0.00306009/step Wall: 9133.25, 0.00306008/step, 1.65058 hours remaining, 205.933594 MB of memory in use. ENERGY: 3058200 799.6067 2085.8435 1921.3790 106.3798 -205413.5116 17299.8984 0.0000 0.0000 34270.9051 -148929.4992 299.2963 -183200.4042 -148833.5806 299.7554 -412.3575 -377.9955 559833.7229 -5.8558 -6.0017 PRESSURE: 3058400 -153.666 -0.329406 -26.0523 -0.328853 -180.926 -111.717 -26.0521 -111.717 -364.845 GPRESSURE: 3058400 -143.424 103.339 -27.0388 -83.8809 -119.213 -122.325 6.9179 -61.6916 -338.751 PRESSAVG: 3058400 85.5285 -40.2109 -14.8717 -40.2109 22.3688 -45.4363 -14.8718 -45.4363 -61.0638 GPRESSAVG: 3058400 85.1343 -40.5066 -14.6947 -41.3108 22.8885 -47.5231 -13.8407 -41.3205 -61.0483 TIMING: 3058400 CPU: 9133.85, 0.00301573/step Wall: 9133.85, 0.00301573/step, 1.62649 hours remaining, 205.933594 MB of memory in use. ENERGY: 3058400 724.7656 2074.2030 1963.0324 107.6551 -205427.1881 17425.8957 0.0000 0.0000 34189.5109 -148942.1253 298.5855 -183131.6362 -148844.5376 299.7879 -233.1455 -200.4627 558042.8353 15.6112 15.6581 PRESSURE: 3058600 357.815 50.8043 -110.217 50.8042 -39.1556 -192.106 -110.217 -192.106 -81.3165 GPRESSURE: 3058600 392.986 10.1964 -30.716 50.0319 22.4443 -221.893 -78.0344 -120.372 -76.9492 PRESSAVG: 3058600 36.3233 -7.66376 -9.94687 -7.66383 -31.7393 5.9086 -9.94684 5.90857 -28.8825 GPRESSAVG: 3058600 36.9186 -4.96192 -9.8897 -7.72386 -31.625 7.6399 -9.54666 3.56617 -28.9874 TIMING: 3058600 CPU: 9134.45, 0.00299822/step Wall: 9134.45, 0.00299822/step, 1.61687 hours remaining, 205.933594 MB of memory in use. ENERGY: 3058600 724.6707 2110.5843 1942.2244 113.3427 -206073.0058 17894.5443 0.0000 0.0000 34422.2285 -148865.4109 300.6179 -183287.6394 -148772.7882 300.9444 79.1143 112.8272 558064.8135 -8.0995 -7.8979 PRESSURE: 3058800 -113.159 -255.198 188.592 -255.197 -26.0359 -175.684 188.593 -175.684 -26.1004 GPRESSURE: 3058800 -84.7695 -145.687 178.007 -254.552 -38.44 -103.167 237.101 -185.501 49.8266 PRESSAVG: 3058800 48.2358 6.86712 49.0731 6.86716 -26.6435 -43.2237 49.0731 -43.2238 -40.3231 GPRESSAVG: 3058800 46.9238 3.79392 50.416 8.11921 -26.0491 -43.2823 48.4482 -42.1336 -40.0105 TIMING: 3058800 CPU: 9135.06, 0.00302875/step Wall: 9135.06, 0.00302875/step, 1.63317 hours remaining, 205.933594 MB of memory in use. ENERGY: 3058800 784.5978 2051.6966 1947.1283 105.7614 -205889.6115 17813.7999 0.0000 0.0000 34358.5388 -148828.0887 300.0617 -183186.6274 -148724.0759 300.1171 -55.0985 -24.4610 559084.8351 -6.2436 -6.3786 PRESSURE: 3059000 -40.8138 -55.6103 -37.1931 -55.6121 92.5601 102.522 -37.1918 102.524 140.873 GPRESSURE: 3059000 58.8075 -61.1564 1.16788 -18.5159 21.2569 161.166 -144.765 62.2537 210.019 PRESSAVG: 3059000 8.2375 -11.1931 37.9175 -11.1932 26.0007 -23.212 37.9174 -23.2121 -41.3867 GPRESSAVG: 3059000 7.44811 -10.1185 36.687 -12.762 26.5359 -21.0298 36.4761 -24.0578 -40.9894 TIMING: 3059000 CPU: 9135.67, 0.00304396/step Wall: 9135.67, 0.00304396/step, 1.6412 hours remaining, 205.933594 MB of memory in use. ENERGY: 3059000 745.1011 2031.6035 1934.6525 110.2911 -205875.5194 17850.8374 0.0000 0.0000 34481.7601 -148721.2737 301.1378 -183203.0338 -148625.1041 299.8082 64.2064 96.6945 559158.0095 -2.3828 -2.3351 PRESSURE: 3059200 -203.862 55.8988 -15.6625 55.8993 32.8863 -9.50028 -15.6635 -9.49991 -117.033 GPRESSURE: 3059200 -117.783 62.4065 28.8067 42.1709 83.3474 43.5959 -52.9619 -9.40015 -163.224 PRESSAVG: 3059200 18.4981 5.5595 -9.78366 5.55952 36.0933 38.0318 -9.78372 38.0319 -50.7842 GPRESSAVG: 3059200 19.4561 4.90159 -10.2196 4.80448 35.6664 35.9608 -7.74558 38.1463 -51.154 TIMING: 3059200 CPU: 9136.28, 0.00304496/step Wall: 9136.28, 0.00304496/step, 1.64157 hours remaining, 205.933594 MB of memory in use. ENERGY: 3059200 800.2338 2058.8727 1957.2213 101.1066 -205869.2391 17689.4408 0.0000 0.0000 34539.9369 -148722.4269 301.6459 -183262.3638 -148623.2830 300.4394 -96.0028 -65.8865 557832.0451 1.2690 1.3228 PRESSURE: 3059400 -57.1648 32.3239 -56.5144 32.3248 177.524 84.3002 -56.5147 84.3014 -103.848 GPRESSURE: 3059400 -73.0472 -8.69444 18.4417 71.1213 203.314 143.189 -75.1088 26.6776 -23.1439 PRESSAVG: 3059400 -42.1615 11.4585 0.0647185 11.4584 89.1911 56.4111 0.0647414 56.4111 -46.7262 GPRESSAVG: 3059400 -41.9789 10.5157 1.12649 15.1636 90.1812 56.4511 -1.2315 56.8646 -48.2815 TIMING: 3059400 CPU: 9136.88, 0.00302744/step Wall: 9136.88, 0.00302744/step, 1.63196 hours remaining, 205.933594 MB of memory in use. ENERGY: 3059400 806.6566 2071.8008 1926.6314 122.0449 -205792.3842 17829.1324 0.0000 0.0000 34393.7337 -148642.3844 300.3690 -183036.1182 -148547.6601 300.9182 5.5035 35.7076 558024.8847 0.1011 -0.0264 PRESSURE: 3059600 -193.266 36.9482 74.2287 36.9482 14.6863 27.7684 74.2294 27.7686 -95.1115 GPRESSURE: 3059600 -173.402 7.43549 66.5062 -0.42463 82.6852 105.838 160.597 47.8304 -78.1352 PRESSAVG: 3059600 -35.3979 20.7818 0.413684 20.7818 130.457 53.0542 0.413672 53.0542 -58.7403 GPRESSAVG: 3059600 -34.8199 21.8619 -1.16885 18.2838 129.808 52.5107 2.32018 52.9709 -58.339 TIMING: 3059600 CPU: 9137.49, 0.00302496/step Wall: 9137.49, 0.00302496/step, 1.63045 hours remaining, 205.933594 MB of memory in use. ENERGY: 3059600 775.1665 2123.8656 1946.7272 105.6925 -206074.4795 17791.2409 0.0000 0.0000 34448.1753 -148883.6115 300.8445 -183331.7868 -148788.2515 300.4096 -91.2305 -56.2840 556990.4713 12.1061 12.2163 PRESSURE: 3059800 -255.084 -13.854 -106.308 -13.8538 111.85 28.7237 -106.309 28.7236 -152.602 GPRESSURE: 3059800 -274.512 -1.45173 -128.793 -95.0026 186.295 114.494 -138.235 8.63107 -122.154 PRESSAVG: 3059800 -23.4208 -10.7642 -7.98731 -10.7643 94.7136 -1.35753 -7.98726 -1.3576 -40.9949 GPRESSAVG: 3059800 -24.6702 -11.3619 -7.58896 -8.93594 93.8772 1.2676 -9.57126 -0.416994 -38.9509 TIMING: 3059800 CPU: 9138.09, 0.00302582/step Wall: 9138.09, 0.00302582/step, 1.63075 hours remaining, 205.933594 MB of memory in use. ENERGY: 3059800 746.6275 2107.4971 1936.5228 119.9037 -205494.6473 17488.4666 0.0000 0.0000 34049.6112 -149046.0182 297.3637 -183095.6295 -148948.8005 299.9184 -98.6123 -70.1235 557657.5731 10.0993 10.0854 PRESSURE: 3060000 -115.428 -29.5297 -35.7723 -29.5292 52.0505 -42.7072 -35.7742 -42.708 -329.708 GPRESSURE: 3060000 -74.9336 15.6951 -65.339 -56.4793 52.2546 38.696 -18.7511 -117.538 -268.469 PRESSAVG: 3060000 -37.4837 -33.6012 16.979 -33.6012 73.134 25.0404 16.9789 25.0404 -17.2405 GPRESSAVG: 3060000 -37.658 -32.8283 16.8007 -36.3725 73.8758 23.2999 16.4433 24.8691 -18.1297 TIMING: 3060000 CPU: 9138.7, 0.00304084/step Wall: 9138.7, 0.00304084/step, 1.63868 hours remaining, 205.933594 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: 3060000 749.5120 2140.5000 1952.3849 123.4565 -205787.1608 17623.4946 0.0000 0.0000 34274.8577 -148922.9551 299.3309 -183197.8128 -148824.2635 300.1412 -131.0288 -97.0493 556717.5579 6.1366 6.0294 PRESSURE: 3060200 -327.923 50.0503 13.7227 50.052 -49.995 168.654 13.7226 168.654 -184.702 GPRESSURE: 3060200 -230.248 99.8985 10.5665 81.8386 -79.6194 139.795 -51.8183 103.875 -151.28 PRESSAVG: 3060200 -45.8147 24.5834 -43.5683 24.5835 106.547 29.0617 -43.5683 29.0616 -62.9821 GPRESSAVG: 3060200 -45.2179 25.3675 -44.9215 25.8851 104.97 31.4441 -41.108 26.266 -62.47 TIMING: 3060200 CPU: 9139.31, 0.00304408/step Wall: 9139.31, 0.00304408/step, 1.64025 hours remaining, 205.933594 MB of memory in use. ENERGY: 3060200 774.5749 2088.8316 1953.8209 127.9307 -205910.7126 17665.0853 0.0000 0.0000 34326.2764 -148974.1929 299.7799 -183300.4693 -148875.7670 300.1840 -187.5397 -153.7160 557349.7378 -0.7498 -0.9060 LDB: ============= START OF LOAD BALANCING ============== 9142.74 LDB: ============== END OF LOAD BALANCING =============== 9142.74 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9142.74 LDB: ============= START OF LOAD BALANCING ============== 9143.04 LDB: Largest compute 4821 load 0.031836 is 27.0% of average load 0.118064 LDB: Average compute 0.001737 is 1.5% of average load 0.118064 LDB: TIME 9143.05 LOAD: AVG 0.118064 MAX 0.205037 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.961 MB LDB: TIME 9143.05 LOAD: AVG 0.118064 MAX 0.205037 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.965 MB LDB: TIME 9143.05 LOAD: AVG 0.118064 MAX 0.205037 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.965 MB LDB: ============== END OF LOAD BALANCING =============== 9143.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9143.05 PRESSURE: 3060400 -29.3517 -1.22672 63.8797 -1.22626 219.602 96.0495 63.8811 96.0473 53.178 GPRESSURE: 3060400 -16.6145 8.55965 94.5698 -55.7277 288.18 194.121 14.9809 100.206 79.0798 PRESSAVG: 3060400 -42.2874 -2.19673 -4.66831 -2.1967 54.3345 -14.9117 -4.66838 -14.9118 11.6257 GPRESSAVG: 3060400 -43.3942 -3.75543 -2.49872 -2.42812 55.5915 -17.5902 -5.47241 -11.9401 11.0957 TIMING: 3060400 CPU: 9139.92, 0.00307083/step Wall: 9139.92, 0.00307083/step, 1.6545 hours remaining, 205.941406 MB of memory in use. ENERGY: 3060400 740.9652 2146.3546 1928.7379 121.2307 -206186.0530 17882.1359 0.0000 0.0000 34404.3928 -148962.2358 300.4621 -183366.6287 -148865.7577 300.5183 81.1427 116.8817 556377.8391 7.8909 7.7643 PRESSURE: 3060600 268.134 113.174 -70.0224 113.174 63.2562 -37.8207 -70.021 -37.821 216.856 GPRESSURE: 3060600 324.632 117.986 -35.2341 56.9376 103.513 2.41825 -84.737 43.9018 214.141 PRESSAVG: 3060600 12.3567 30.6489 18.5416 30.6489 -30.6808 -75.2648 18.5415 -75.2649 10.3851 GPRESSAVG: 3060600 13.683 33.0253 16.8257 30.414 -30.7984 -76.6078 19.205 -76.0681 9.11514 TIMING: 3060600 CPU: 9140.53, 0.00301883/step Wall: 9140.53, 0.00301883/step, 1.62631 hours remaining, 206.441406 MB of memory in use. ENERGY: 3060600 727.9467 2095.8292 1950.0736 109.3822 -206075.2724 17987.2169 0.0000 0.0000 34264.3210 -148940.5027 299.2388 -183204.8237 -148847.5521 299.9301 182.7486 214.0953 557235.2436 -2.6463 -2.6667 PRESSURE: 3060800 -81.4525 -189.896 -103.362 -189.896 140.916 -135.689 -103.362 -135.689 -132.984 GPRESSURE: 3060800 -59.8593 -191.729 -67.6099 -175.053 159.715 -166.957 -130.549 -99.5024 -82.5639 PRESSAVG: 3060800 60.3346 14.0643 42.1315 14.0643 -15.8462 -65.1246 42.1315 -65.1246 -44.753 GPRESSAVG: 3060800 60.6757 13.9626 43.7211 16.9058 -16.5175 -64.4358 40.6521 -66.9224 -44.1447 TIMING: 3060800 CPU: 9141.13, 0.00301873/step Wall: 9141.13, 0.00301873/step, 1.62609 hours remaining, 206.441406 MB of memory in use. ENERGY: 3060800 744.1653 2079.8140 1928.8963 106.8313 -206001.3594 17832.3099 0.0000 0.0000 34216.0099 -149093.3327 298.8169 -183309.3426 -149000.6828 299.6984 -24.5068 5.7641 558107.2446 -0.0882 0.0045 PRESSURE: 3061000 220.351 -36.9655 178.455 -36.9643 6.84219 32.7276 178.455 32.7276 -100.492 GPRESSURE: 3061000 213.757 -67.0334 221.891 24.8368 26.8945 31.5639 153.984 -55.0504 -28.1618 PRESSAVG: 3061000 -41.7262 30.3242 -0.556689 30.3242 23.8769 -0.805674 -0.556681 -0.80571 4.28519 GPRESSAVG: 3061000 -42.278 28.7788 0.837924 27.6211 24.2414 -0.456084 -0.360114 -1.36611 3.94885 TIMING: 3061000 CPU: 9141.74, 0.0030174/step Wall: 9141.74, 0.0030174/step, 1.62521 hours remaining, 206.441406 MB of memory in use. ENERGY: 3061000 765.8243 2039.7481 1896.5431 113.3754 -206249.2932 17808.5941 0.0000 0.0000 34299.6645 -149325.5435 299.5475 -183625.2081 -149229.0608 299.3396 42.2339 70.8299 556866.9636 -4.5213 -4.6959 PRESSURE: 3061200 -142.191 -62.2205 204.122 -62.2213 103.493 -109.451 204.123 -109.452 71.7536 GPRESSURE: 3061200 -110.29 -96.9692 150.952 39.3605 123.817 -70.1897 220.757 -85.8802 102.228 PRESSAVG: 3061200 -53.2485 -8.82587 -12.9338 -8.82588 43.0967 22.7687 -12.9338 22.7688 35.1477 GPRESSAVG: 3061200 -53.2434 -7.53669 -15.1963 -9.15859 41.5412 23.5098 -11.4993 23.8011 37.076 TIMING: 3061200 CPU: 9142.34, 0.00302126/step Wall: 9142.34, 0.00302126/step, 1.62712 hours remaining, 206.441406 MB of memory in use. ENERGY: 3061200 760.8763 2083.2413 1922.8161 106.4788 -206243.4612 17937.0624 0.0000 0.0000 34074.6702 -149358.3161 297.5826 -183432.9864 -149262.0970 298.9827 11.0186 38.5853 557372.7499 8.3320 8.4579 PRESSURE: 3061400 155.733 -17.1127 219.449 -17.1127 -176.149 -159.765 219.45 -159.765 -3.95571 GPRESSURE: 3061400 156.894 -57.9743 227.788 -33.661 -150.341 -85.508 202.084 -143.572 54.2915 PRESSAVG: 3061400 -0.931233 -16.5245 52.0764 -16.5244 15.5545 6.97603 52.0764 6.976 -23.6218 GPRESSAVG: 3061400 -1.95856 -15.9329 52.6912 -15.1287 18.071 7.53298 51.8033 9.33817 -24.5802 TIMING: 3061400 CPU: 9142.94, 0.00302602/step Wall: 9142.94, 0.00302602/step, 1.62951 hours remaining, 206.441406 MB of memory in use. ENERGY: 3061400 727.7026 2074.6361 1927.8367 113.0854 -206571.9714 17903.6982 0.0000 0.0000 34317.3197 -149507.6927 299.7017 -183825.0124 -149396.0356 298.9793 -8.1239 20.2814 558740.7533 -2.9995 -2.8226 PRESSURE: 3061600 217.905 100.026 -11.1235 100.025 -40.5426 123.414 -11.1242 123.414 -48.8683 GPRESSURE: 3061600 226.777 112.943 -44.9655 110.925 -14.5762 161.235 -9.87968 56.3871 13.9117 PRESSAVG: 3061600 12.6661 -29.3953 7.14733 -29.3953 3.23895 22.0291 7.14722 22.029 -50.0804 GPRESSAVG: 3061600 13.1724 -30.4054 8.34819 -29.2261 2.74078 20.9666 6.78511 21.6788 -50.4192 TIMING: 3061600 CPU: 9143.55, 0.00302276/step Wall: 9143.55, 0.00302276/step, 1.62759 hours remaining, 206.441406 MB of memory in use. ENERGY: 3061600 753.4284 2051.9860 1913.2056 122.1337 -206386.1959 17875.1322 0.0000 0.0000 34081.3835 -149588.9265 297.6412 -183670.3099 -149490.5144 298.4985 42.8314 75.3709 556049.8235 -11.3918 -11.5020 PRESSURE: 3061800 -16.1744 74.6932 -20.046 74.6913 -321.846 43.42 -20.0447 43.4228 -239.361 GPRESSURE: 3061800 8.89071 33.7141 -142.614 22.0209 -273.907 32.1791 42.046 20.6376 -211.084 PRESSAVG: 3061800 61.1923 -4.03666 18.0501 -4.03675 -60.8661 68.2932 18.0502 68.2931 -2.7273 GPRESSAVG: 3061800 61.4999 -5.73271 14.6965 -4.94207 -60.682 67.0393 18.2431 67.9446 -2.95958 TIMING: 3061800 CPU: 9144.16, 0.003077/step Wall: 9144.16, 0.003077/step, 1.65662 hours remaining, 206.441406 MB of memory in use. ENERGY: 3061800 766.1654 2102.1442 1928.3514 114.8243 -206361.3312 17618.8564 0.0000 0.0000 34243.8347 -149587.1548 299.0599 -183830.9895 -149492.0775 298.6960 -192.4604 -158.7001 557402.7951 -0.8004 -0.7139 PRESSURE: 3062000 -213.757 -1.14839 3.25236 -1.14777 59.8069 15.0886 3.25206 15.0896 58.2343 GPRESSURE: 3062000 -167.672 59.2524 -137.172 15.9351 122.255 49.3406 -27.6698 62.6993 41.3301 PRESSAVG: 3062000 16.9841 87.008 45.2945 87.008 2.40766 39.1191 45.2945 39.1191 -6.38238 GPRESSAVG: 3062000 16.7595 88.5779 47.1662 87.7062 2.68687 41.5021 45.0315 39.46 -6.94931 TIMING: 3062000 CPU: 9144.77, 0.003045/step Wall: 9144.77, 0.003045/step, 1.63922 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: 3062000 772.4356 2034.8945 1921.1482 101.2739 -206440.0165 17738.4216 0.0000 0.0000 34348.3630 -149523.4798 299.9728 -183871.8428 -149430.9465 298.7504 -31.9051 -1.3622 556515.9570 4.3364 4.1657 PRESSURE: 3062200 -224.495 221.069 34.8838 221.069 -388.56 -80.6428 34.8828 -80.6432 -145.173 GPRESSURE: 3062200 -222.59 161.101 -20.7702 238.854 -312.616 -58.9067 20.3357 -139.42 -111.602 PRESSAVG: 3062200 18.8519 39.7583 2.01135 39.7583 -21.3064 1.56226 2.01133 1.56232 -19.1332 GPRESSAVG: 3062200 18.9799 39.4669 0.742428 40.2024 -21.3283 -0.0401467 3.92771 2.31428 -18.9822 TIMING: 3062200 CPU: 9145.38, 0.00302265/step Wall: 9145.38, 0.00302265/step, 1.62702 hours remaining, 206.441406 MB of memory in use. ENERGY: 3062200 756.2815 2082.1141 1950.4378 119.1889 -205857.5438 17461.3155 0.0000 0.0000 33972.3453 -149515.8606 296.6889 -183488.2060 -149414.0476 297.9074 -252.7424 -215.6027 558051.4972 -7.1959 -7.1102 PRESSURE: 3062400 41.1894 -119.582 -1.79003 -119.581 -215.677 -64.9457 -1.78917 -64.9454 63.2031 GPRESSURE: 3062400 52.3161 -90.3563 38.2323 -79.1168 -145.073 -14.4736 -12.6052 -57.0047 71.4539 PRESSAVG: 3062400 31.011 67.3238 -8.29748 67.3238 -51.8211 -9.07744 -8.29744 -9.0775 15.2675 GPRESSAVG: 3062400 30.3265 67.37 -4.56428 68.0043 -51.9473 -8.005 -11.3375 -10.5211 15.5774 TIMING: 3062400 CPU: 9145.98, 0.00303166/step Wall: 9145.98, 0.00303166/step, 1.63171 hours remaining, 206.441406 MB of memory in use. ENERGY: 3062400 749.1107 2092.1124 1949.8476 107.7831 -206323.1844 17841.2370 0.0000 0.0000 34119.4710 -149463.6226 297.9738 -183583.0937 -149367.2297 297.8245 -37.0949 -7.1010 558128.7967 -1.8475 -2.0145 PRESSURE: 3062600 -23.3412 -170.65 -32.7619 -170.65 -60.7013 28.8452 -32.76 28.846 182.405 GPRESSURE: 3062600 14.4878 -136.731 -23.6243 -131.313 -27.881 98.3751 33.6165 7.19329 222.9 PRESSAVG: 3062600 51.4423 -54.8727 -1.13416 -54.8726 -71.7791 2.99223 -1.13405 2.99217 14.557 GPRESSAVG: 3062600 50.612 -56.4929 -3.05774 -56.0758 -71.3072 1.62003 0.645018 1.7021 14.6607 TIMING: 3062600 CPU: 9146.6, 0.00305658/step Wall: 9146.6, 0.00305658/step, 1.64495 hours remaining, 206.441406 MB of memory in use. ENERGY: 3062600 738.7590 2090.0128 1909.8815 108.0172 -206592.2480 17934.4155 0.0000 0.0000 34313.7559 -149497.4062 299.6706 -183811.1620 -149404.9276 298.4983 32.7874 69.8357 557507.6966 -1.9266 -2.0115 PRESSURE: 3062800 -310.935 -27.6031 118.313 -27.6028 112.951 -57.8275 118.313 -57.8282 -260.977 GPRESSURE: 3062800 -285.482 24.2859 127.979 -114.008 188.891 -102.114 62.4593 -40.9616 -241.327 PRESSAVG: 3062800 -19.6192 -5.97307 -18.5274 -5.9731 -22.733 -3.27897 -18.5274 -3.27904 40.6236 GPRESSAVG: 3062800 -18.3539 -3.52108 -18.5987 -4.82858 -23.6726 -4.01293 -18.7309 -0.716907 40.7576 TIMING: 3062800 CPU: 9147.2, 0.00302834/step Wall: 9147.2, 0.00302834/step, 1.62958 hours remaining, 206.441406 MB of memory in use. ENERGY: 3062800 783.7146 2056.5938 1946.2680 111.2017 -206323.6104 17735.1584 0.0000 0.0000 34051.2451 -149639.4287 297.3780 -183690.6738 -149543.9722 297.8084 -152.9871 -112.6395 559433.6353 -0.5762 -0.4230 PRESSURE: 3063000 -46.5299 -10.4612 -0.101621 -10.4606 37.5482 87.6714 -0.100849 87.6721 215.029 GPRESSURE: 3063000 -12.1833 -30.8275 -15.6874 -11.9432 72.9632 51.8004 -14.1686 80.475 233.202 PRESSAVG: 3063000 8.10345 -4.97737 19.4617 -4.9774 16.5369 4.14419 19.4616 4.14421 -23.3507 GPRESSAVG: 3063000 7.81749 -5.76387 18.1051 -6.12883 16.3399 4.18425 21.2213 3.40824 -22.9833 TIMING: 3063000 CPU: 9147.81, 0.00303488/step Wall: 9147.81, 0.00303488/step, 1.63293 hours remaining, 206.496094 MB of memory in use. ENERGY: 3063000 714.0087 2133.0028 1963.1428 111.0589 -206596.9866 18001.7168 0.0000 0.0000 34224.0303 -149450.0261 298.8870 -183674.0565 -149353.8387 298.5969 68.6826 97.9939 558511.2074 0.4299 0.3914 PRESSURE: 3063200 97.2914 -83.5414 17.4192 -83.5429 89.4329 45.5623 17.4197 45.5617 -99.7091 GPRESSURE: 3063200 147.258 -100.62 -19.0375 -32.6306 73.4702 34.5084 19.8405 107.223 -25.9086 PRESSAVG: 3063200 0.128193 -5.51962 -47.6124 -5.51958 76.9944 54.0354 -47.6124 54.0353 -58.3312 GPRESSAVG: 3063200 1.1405 -7.52351 -46.3586 -2.58845 76.8036 55.4176 -49.3376 53.2944 -59.2012 TIMING: 3063200 CPU: 9148.41, 0.0030168/step Wall: 9148.41, 0.0030168/step, 1.62304 hours remaining, 206.496094 MB of memory in use. ENERGY: 3063200 733.4916 2063.3924 1933.1586 108.7772 -206482.2392 18031.2402 0.0000 0.0000 34035.6798 -149576.4993 297.2421 -183612.1791 -149485.0188 297.9125 29.0051 64.9397 559342.2431 6.2638 6.2477 PRESSURE: 3063400 13.4187 99.1109 12.2022 99.1108 389.46 -86.7651 12.2035 -86.7646 131.441 GPRESSURE: 3063400 68.8149 147.425 -62.539 68.8636 381.723 -124.255 38.02 -65.8032 188.201 PRESSAVG: 3063400 -33.8123 25.4303 7.52036 25.4304 77.904 2.96039 7.52047 2.96034 16.7504 GPRESSAVG: 3063400 -34.198 27.6945 8.18774 24.6433 78.7642 3.25445 6.9617 3.72039 16.6369 TIMING: 3063400 CPU: 9149.02, 0.00303246/step Wall: 9149.02, 0.00303246/step, 1.6313 hours remaining, 206.496094 MB of memory in use. ENERGY: 3063400 696.2803 2111.1697 1905.9702 113.4302 -206494.4655 18115.8866 0.0000 0.0000 33985.5095 -149566.2191 296.8039 -183551.7286 -149475.2764 298.1789 178.1066 212.9128 558569.3177 20.2807 20.4010 PRESSURE: 3063600 84.2009 -68.9722 126.187 -68.9726 -297.959 86.3133 126.187 86.3148 22.0817 GPRESSURE: 3063600 152.201 -25.3775 60.3625 -89.7256 -254.074 85.8643 157.483 63.7703 -2.71726 PRESSAVG: 3063600 52.6371 23.6317 68.0608 23.6317 -19.7833 51.4326 68.0609 51.4326 9.55127 GPRESSAVG: 3063600 53.1135 22.5874 67.6447 22.7051 -19.5023 50.9923 67.0457 49.6077 9.08996 TIMING: 3063600 CPU: 9149.63, 0.00304418/step Wall: 9149.63, 0.00304418/step, 1.63743 hours remaining, 206.496094 MB of memory in use. ENERGY: 3063600 727.7454 2081.7189 1926.3823 109.3503 -206328.1752 17711.7383 0.0000 0.0000 34221.4413 -149549.7988 298.8644 -183771.2401 -149447.2204 297.9950 -63.8920 -34.8635 557837.6931 14.1350 14.2337 PRESSURE: 3063800 -194.452 105.051 24.6351 105.051 -79.6638 32.5315 24.6359 32.5301 -324.859 GPRESSURE: 3063800 -131.859 136.433 139.531 70.8485 -98.608 31.9356 -25.7447 65.2717 -260.481 PRESSAVG: 3063800 6.58816 11.7893 15.1081 11.7893 -3.21445 21.9498 15.1081 21.9498 -34.0777 GPRESSAVG: 3063800 6.76325 12.9658 12.8449 11.5635 -4.26264 24.5475 16.1457 23.4046 -32.7797 TIMING: 3063800 CPU: 9150.23, 0.00303332/step Wall: 9150.23, 0.00303332/step, 1.63142 hours remaining, 206.496094 MB of memory in use. ENERGY: 3063800 758.0777 2071.7123 1905.0372 113.3298 -206019.4536 17593.2093 0.0000 0.0000 34189.5862 -149388.5012 298.5862 -183578.0874 -149292.3296 298.2972 -199.6582 -163.6495 558416.2589 -10.2347 -10.0930 PRESSURE: 3064000 234.825 -80.2941 116.394 -80.294 49.417 -113.685 116.396 -113.684 238.256 GPRESSURE: 3064000 276.944 -78.9893 59.4445 -124.17 64.7875 -120.296 138.857 -70.7518 273.296 PRESSAVG: 3064000 45.3316 11.4646 2.46749 11.4646 -7.48502 67.9798 2.46747 67.9798 -30.0539 GPRESSAVG: 3064000 44.7489 12.1892 5.56124 11.6243 -6.81303 65.1456 1.43817 69.3916 -30.3647 TIMING: 3064000 CPU: 9150.84, 0.00304814/step Wall: 9150.84, 0.00304814/step, 1.63922 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: 3064000 727.3802 2018.5466 1949.0515 107.8665 -206221.5006 17800.3397 0.0000 0.0000 34259.4343 -149358.8819 299.1962 -183618.3162 -149264.9954 299.1990 174.1661 205.0089 555873.6280 2.5976 2.5238 PRESSURE: 3064200 -17.1959 -16.7396 94.5594 -16.7399 -238.955 91.2643 94.5582 91.2648 -131.911 GPRESSURE: 3064200 -13.164 -29.142 49.8793 -41.4368 -136.521 39.0342 29.731 120.643 -155.493 PRESSAVG: 3064200 35.4943 -38.0171 22.7795 -38.017 32.2698 26.2491 22.7796 26.2491 -26.7707 GPRESSAVG: 3064200 35.9747 -38.744 21.6086 -39.2807 32.8526 27.0324 23.3195 25.8793 -27.4561 TIMING: 3064200 CPU: 9151.45, 0.0030439/step Wall: 9151.45, 0.0030439/step, 1.63677 hours remaining, 206.496094 MB of memory in use. ENERGY: 3064200 782.4479 2061.8545 1919.3183 97.7899 -206333.5856 17689.9595 0.0000 0.0000 34196.9007 -149585.3149 298.6500 -183782.2156 -149491.8923 298.3640 -129.3537 -101.7257 557908.8357 13.6645 13.7904 LDB: ============= START OF LOAD BALANCING ============== 9154.88 LDB: ============== END OF LOAD BALANCING =============== 9154.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9154.89 LDB: ============= START OF LOAD BALANCING ============== 9155.19 LDB: Largest compute 4820 load 0.030118 is 25.5% of average load 0.118010 LDB: Average compute 0.001737 is 1.5% of average load 0.118010 LDB: TIME 9155.19 LOAD: AVG 0.11801 MAX 0.20602 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 9155.19 LOAD: AVG 0.11801 MAX 0.20602 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 9155.19 LOAD: AVG 0.11801 MAX 0.20602 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9155.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9155.2 PRESSURE: 3064400 -62.9742 -190.743 -128.515 -190.744 84.0635 51.8189 -128.514 51.8201 263.74 GPRESSURE: 3064400 26.9863 -176.734 -148.005 -163.805 78.0396 57.1671 -125.614 78.5645 275.527 PRESSAVG: 3064400 -23.7799 -9.42299 -0.509582 -9.42298 14.8385 47.3476 -0.50954 47.3475 -13.6814 GPRESSAVG: 3064400 -23.8397 -10.7055 -2.7729 -8.31479 13.7662 46.4748 1.40168 46.5591 -12.805 TIMING: 3064400 CPU: 9152.07, 0.00308353/step Wall: 9152.07, 0.00308353/step, 1.65791 hours remaining, 206.710938 MB of memory in use. ENERGY: 3064400 693.2207 2066.3527 1948.9381 107.5943 -206474.0526 17998.5067 0.0000 0.0000 34187.4182 -149472.0218 298.5672 -183659.4400 -149380.0357 298.8428 94.9433 126.8509 558227.5479 -7.5409 -7.6261 PRESSURE: 3064600 -69.8449 -46.8204 -95.1245 -46.8197 37.4191 -110.798 -95.1234 -110.799 77.0122 GPRESSURE: 3064600 -28.0353 -40.7667 -166.354 -60.6185 30.8536 -144.029 -58.0379 -21.7469 142.221 PRESSAVG: 3064600 -66.5735 -21.3781 -68.2636 -21.3782 14.4492 -19.4228 -68.2636 -19.4229 2.657 GPRESSAVG: 3064600 -65.6305 -20.133 -66.1392 -20.7552 13.9042 -18.2832 -70.5554 -19.2614 2.06823 TIMING: 3064600 CPU: 9152.68, 0.00304252/step Wall: 9152.68, 0.00304252/step, 1.63569 hours remaining, 206.710938 MB of memory in use. ENERGY: 3064600 759.4454 2078.3012 1921.9189 123.6486 -206401.3948 17923.6401 0.0000 0.0000 34122.1389 -149472.3017 297.9971 -183594.4406 -149379.2554 298.4259 14.8621 48.3465 556330.2317 -16.4891 -16.5527 PRESSURE: 3064800 79.2506 23.7138 -2.5413 23.7138 66.2097 152.002 -2.54229 152.001 -280.121 GPRESSURE: 3064800 80.8088 41.1653 -5.00033 22.5906 103.295 152.152 -32.331 52.1469 -228.557 PRESSAVG: 3064800 -31.5266 -6.60193 -49.2379 -6.602 4.78039 -39.7882 -49.238 -39.7882 2.57255 GPRESSAVG: 3064800 -33.1489 -7.59175 -49.9116 -6.94814 5.61727 -40.2916 -47.3127 -39.1702 3.45952 TIMING: 3064800 CPU: 9153.29, 0.00304489/step Wall: 9153.29, 0.00304489/step, 1.6368 hours remaining, 206.710938 MB of memory in use. ENERGY: 3064800 745.0799 2075.0806 1947.9474 126.2329 -206191.8722 17850.7494 0.0000 0.0000 33994.3072 -149452.4748 296.8807 -183446.7820 -149354.5585 298.1584 -44.8869 -14.8177 557579.0881 -8.0579 -8.0240 PRESSURE: 3065000 -136.477 122.25 -74.8945 122.25 -281.856 15.502 -74.8944 15.5014 -126.343 GPRESSURE: 3065000 -84.4467 138.2 -88.9107 67.319 -221.538 63.817 -8.29045 -108.56 -141.389 PRESSAVG: 3065000 5.48493 -4.06134 -29.5213 -4.06125 17.0646 11.529 -29.5213 11.529 -28.2372 GPRESSAVG: 3065000 5.45269 -3.49579 -28.9567 -5.93407 17.2244 9.80322 -30.1921 12.0874 -28.4443 TIMING: 3065000 CPU: 9153.89, 0.00302902/step Wall: 9153.89, 0.00302902/step, 1.6281 hours remaining, 206.710938 MB of memory in use. ENERGY: 3065000 774.9911 2113.9199 1928.7007 115.7028 -206019.4650 17585.9216 0.0000 0.0000 34029.7167 -149470.5122 297.1900 -183500.2289 -149386.6214 297.8148 -181.5589 -149.1248 558508.2076 -1.8959 -1.9224 PRESSURE: 3065200 38.7579 -15.3705 -2.34253 -15.3698 90.5358 69.5446 -2.34254 69.5449 -88.3799 GPRESSURE: 3065200 123.953 -61.3358 30.7345 32.5139 126.814 121.795 24.0349 34.0288 -108.281 PRESSAVG: 3065200 -6.58477 14.5541 -82.7524 14.554 38.0163 -32.0726 -82.7524 -32.0727 -23.9868 GPRESSAVG: 3065200 -6.60013 14.4979 -82.3171 16.3316 37.6775 -31.803 -85.0957 -31.5364 -24.0068 TIMING: 3065200 CPU: 9154.5, 0.0030325/step Wall: 9154.5, 0.0030325/step, 1.6298 hours remaining, 206.710938 MB of memory in use. ENERGY: 3065200 763.2277 2106.7997 1947.6503 108.9898 -206384.9049 17934.6024 0.0000 0.0000 34242.8562 -149280.7789 299.0514 -183523.6351 -149184.4661 298.9292 13.6379 47.4949 556570.9855 2.4816 2.3569 PRESSURE: 3065400 -183.623 65.4179 43.0576 65.4184 -144.674 133.498 43.058 133.498 65.9704 GPRESSURE: 3065400 -137.721 101.734 15.1677 36.2248 -74.5163 213.784 51.0173 61.3184 55.1844 PRESSAVG: 3065400 32.4833 55.9379 21.4383 55.938 -38.123 24.8709 21.4383 24.8708 -10.9133 GPRESSAVG: 3065400 32.1807 54.3149 21.597 55.6965 -38.1219 26.4176 22.3416 24.3066 -10.7979 TIMING: 3065400 CPU: 9155.1, 0.00301238/step Wall: 9155.1, 0.00301238/step, 1.61882 hours remaining, 206.710938 MB of memory in use. ENERGY: 3065400 716.8394 2130.6683 1916.7738 119.3649 -205949.3402 17631.4083 0.0000 0.0000 34224.2338 -149210.0519 298.8887 -183434.2857 -149111.7631 298.9269 -87.4423 -52.3510 557407.7484 -5.5177 -5.5797 PRESSURE: 3065600 198.337 -32.662 125.445 -32.6613 -59.9615 108.044 125.446 108.045 -13.1317 GPRESSURE: 3065600 179.733 -15.2223 137.624 -56.9333 -12.6294 112.385 80.6652 28.0028 51.6841 PRESSAVG: 3065600 29.6099 32.8521 46.1914 32.8521 -34.7073 34.4812 46.1914 34.4812 15.9835 GPRESSAVG: 3065600 29.8638 34.2932 47.563 33.4444 -33.4318 35.5358 46.7212 32.8422 13.8911 TIMING: 3065600 CPU: 9155.7, 0.00301695/step Wall: 9155.7, 0.00301695/step, 1.62111 hours remaining, 206.710938 MB of memory in use. ENERGY: 3065600 732.6470 2060.4521 1925.2331 119.2540 -206151.9926 17805.6375 0.0000 0.0000 34263.1435 -149245.6253 299.2286 -183508.7688 -149148.2210 299.5170 41.7479 72.9292 557365.0116 3.6287 3.4410 PRESSURE: 3065800 -471.526 -97.7889 47.5464 -97.7875 -180.281 -61.7441 47.5466 -61.7432 -161.176 GPRESSURE: 3065800 -424.116 -63.7284 61.4936 -58.7934 -140.685 -36.6429 1.56412 -68.5376 -163.908 PRESSAVG: 3065800 -9.29825 59.747 77.0635 59.747 6.96335 9.17523 77.0636 9.17525 34.1804 GPRESSAVG: 3065800 -9.19743 58.6391 75.7712 59.3708 6.95141 8.16218 78.5988 8.98156 33.6446 TIMING: 3065800 CPU: 9156.32, 0.00305353/step Wall: 9156.32, 0.00305353/step, 1.64059 hours remaining, 206.710938 MB of memory in use. ENERGY: 3065800 723.7683 2090.8546 1944.7312 111.3373 -205840.9445 17426.3044 0.0000 0.0000 34027.1664 -149516.7823 297.1677 -183543.9486 -149422.1890 299.0410 -270.9944 -242.9030 558979.7483 10.6152 10.4662 PRESSURE: 3066000 198.198 -4.81048 36.0615 -4.81051 70.609 187.841 36.0628 187.842 266.608 GPRESSURE: 3066000 252.326 69.6575 17.8112 -70.5359 101.465 167.323 29.8719 93.8839 293.936 PRESSAVG: 3066000 11.3631 -12.9139 16.4722 -12.9138 -37.6462 -66.7794 16.4722 -66.7794 39.0147 GPRESSAVG: 3066000 11.7152 -10.9806 16.837 -15.426 -38.5456 -66.9141 15.7534 -67.0752 39.5544 TIMING: 3066000 CPU: 9156.92, 0.00302665/step Wall: 9156.92, 0.00302665/step, 1.62598 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: 3066000 739.4379 2027.0953 1931.0929 124.8659 -206711.6412 18354.9444 0.0000 0.0000 34172.4050 -149361.7997 298.4361 -183534.2047 -149274.5737 298.2130 178.4719 215.9090 558029.9227 4.2439 4.2413 PRESSURE: 3066200 137.049 -146.579 138.024 -146.579 -171.799 -5.16317 138.024 -5.16298 155.185 GPRESSURE: 3066200 166.494 -127.653 177.159 -129.089 -74.1781 35.0345 80.9048 44.0741 131.513 PRESSAVG: 3066200 31.8654 -33.1488 32.988 -33.1488 -71.8243 -33.2762 32.988 -33.2762 26.8903 GPRESSAVG: 3066200 32.274 -32.2602 31.567 -32.6194 -72.8099 -32.9484 32.2179 -32.0656 27.1731 TIMING: 3066200 CPU: 9157.53, 0.00302446/step Wall: 9157.53, 0.00302446/step, 1.62464 hours remaining, 206.710938 MB of memory in use. ENERGY: 3066200 747.4217 2074.7536 1901.7762 111.7529 -206305.0819 17853.8113 0.0000 0.0000 34207.5819 -149407.9844 298.7433 -183615.5662 -149314.0652 297.9100 40.1450 74.6097 557071.1356 -4.3562 -4.4543 PRESSURE: 3066400 260.585 103.225 80.6489 103.225 197.515 112.449 80.6484 112.449 27.3357 GPRESSURE: 3066400 350.735 117.935 70.7379 68.8133 218.287 89.8615 106.159 94.3007 12.1714 PRESSAVG: 3066400 25.5739 25.2331 30.124 25.233 -41.7743 23.0041 30.124 23.004 -11.1014 GPRESSAVG: 3066400 24.7569 24.2354 29.1282 25.6797 -41.3105 21.3592 32.3283 22.244 -10.7621 TIMING: 3066400 CPU: 9158.13, 0.00301753/step Wall: 9158.13, 0.00301753/step, 1.62075 hours remaining, 206.710938 MB of memory in use. ENERGY: 3066400 751.6755 2109.4822 1958.1574 107.3873 -206478.5938 18065.5041 0.0000 0.0000 34058.8389 -149427.5484 297.4443 -183486.3874 -149330.6789 298.0988 161.8119 193.7311 556535.0885 -9.1006 -9.1052 PRESSURE: 3066600 63.5206 58.1159 -101.779 58.1146 34.0158 85.2788 -101.779 85.2773 -64.337 GPRESSURE: 3066600 127.33 95.0799 -131.669 -15.8612 41.5398 98.324 -41.0102 58.0912 -47.1364 PRESSAVG: 3066600 58.6509 -10.6943 -8.98046 -10.6942 -84.4415 89.9496 -8.98042 89.9496 -10.1798 GPRESSAVG: 3066600 58.5737 -9.8063 -4.58379 -12.4586 -85.1354 91.8258 -12.2103 89.1421 -9.01988 TIMING: 3066600 CPU: 9158.74, 0.00306009/step Wall: 9158.74, 0.00306009/step, 1.64344 hours remaining, 206.710938 MB of memory in use. ENERGY: 3066600 746.6035 2130.7766 1917.3046 113.4543 -206296.9962 17870.9177 0.0000 0.0000 33930.4986 -149587.4409 296.3235 -183517.9394 -149494.2530 298.2918 11.0665 40.5777 558889.2143 -11.9902 -11.8605 PRESSURE: 3066800 108.888 32.8963 -138.179 32.8943 173.853 -118.883 -138.18 -118.883 155.165 GPRESSURE: 3066800 126.05 -28.6739 -132.049 124 198.806 -127.134 -72.3942 -111.045 215.447 PRESSAVG: 3066800 87.3727 47.5818 3.97442 47.5818 -56.0086 -66.7449 3.97448 -66.7448 3.81148 GPRESSAVG: 3066800 86.0055 46.1246 2.96659 51.7501 -56.2252 -65.5842 5.31802 -67.2702 5.16618 TIMING: 3066800 CPU: 9159.35, 0.00304152/step Wall: 9159.35, 0.00304152/step, 1.63329 hours remaining, 206.710938 MB of memory in use. ENERGY: 3066800 748.2260 2087.8483 1941.3515 105.9090 -206602.0053 18029.1345 0.0000 0.0000 34147.1136 -149542.4224 298.2152 -183689.5360 -149440.6252 298.5253 145.9685 180.1010 557531.6582 11.7252 11.6488 PRESSURE: 3067000 -59.8001 89.9892 -77.8706 89.9897 12.8404 64.8295 -77.8701 64.8307 -95.1342 GPRESSURE: 3067000 13.032 126.766 -13.8605 69.3594 -8.8238 8.59833 -173.844 114.956 -42.9571 PRESSAVG: 3067000 19.7588 1.20987 -17.2711 1.20989 -2.97728 26.8143 -17.271 26.8143 -17.4744 GPRESSAVG: 3067000 21.8944 -0.707432 -17.7906 0.479994 -3.43202 26.1153 -18.474 28.0677 -19.2491 TIMING: 3067000 CPU: 9159.96, 0.00303064/step Wall: 9159.96, 0.00303064/step, 1.62728 hours remaining, 206.710938 MB of memory in use. ENERGY: 3067000 744.3396 2111.2088 1941.3346 123.9325 -206455.0092 17782.3339 0.0000 0.0000 34218.4743 -149533.3856 298.8384 -183751.8599 -149443.7114 298.5917 -47.3646 -12.9163 557365.3013 -0.2310 -0.2623 PRESSURE: 3067200 110.11 94.307 -11.5722 94.3071 16.2013 -78.0632 -11.5719 -78.0625 -3.84637 GPRESSURE: 3067200 100.113 125.605 23.5568 89.8599 35.6097 -5.44484 -36.1551 -53.1649 81.4192 PRESSAVG: 3067200 70.9762 19.472 -29.032 19.472 10.7507 20.7609 -29.032 20.7609 -108.611 GPRESSAVG: 3067200 69.2238 20.7417 -29.8678 19.2645 12.6204 20.9013 -28.2033 19.7786 -108.193 TIMING: 3067200 CPU: 9160.56, 0.00304206/step Wall: 9160.56, 0.00304206/step, 1.63325 hours remaining, 206.710938 MB of memory in use. ENERGY: 3067200 734.2020 2108.9477 1957.6360 108.9965 -206354.8672 17786.2271 0.0000 0.0000 34316.1747 -149342.6832 299.6917 -183658.8579 -149251.0039 298.7204 40.8218 72.3807 556272.1178 -8.9615 -8.7829 PRESSURE: 3067400 38.5626 26.0719 -60.7753 26.0724 -77.1679 59.9332 -60.776 59.9334 -42.7143 GPRESSURE: 3067400 28.5962 23.8825 -27.4903 -32.3378 47.6502 17.8201 -75.428 91.1554 -53.3709 PRESSAVG: 3067400 33.697 11.7124 -54.2057 11.7124 -27.562 60.0341 -54.2057 60.0341 15.2427 GPRESSAVG: 3067400 33.4734 10.3154 -55.6974 11.1671 -26.3599 59.4523 -53.8143 59.9422 14.1132 TIMING: 3067400 CPU: 9161.17, 0.00303118/step Wall: 9161.17, 0.00303118/step, 1.62724 hours remaining, 206.710938 MB of memory in use. ENERGY: 3067400 735.6153 2089.7871 1952.8315 113.0780 -206297.7847 17730.1890 0.0000 0.0000 34434.0767 -149242.2071 300.7214 -183676.2837 -149147.5357 298.8383 -27.1065 7.6251 556558.0231 7.1259 7.0756 PRESSURE: 3067600 78.4765 162.987 93.583 162.987 -400.916 32.5214 93.5836 32.524 -120.292 GPRESSURE: 3067600 47.9336 185.664 34.1943 81.5613 -362.164 -9.93794 121.778 50.7387 -33.3328 PRESSAVG: 3067600 38.7677 -19.3399 -23.6748 -19.3398 20.0044 1.68784 -23.6749 1.68782 -31.525 GPRESSAVG: 3067600 38.6409 -17.4325 -24.0963 -19.2414 18.6688 2.85247 -23.8174 2.23394 -30.247 TIMING: 3067600 CPU: 9161.77, 0.00300823/step Wall: 9161.77, 0.00300823/step, 1.61475 hours remaining, 206.710938 MB of memory in use. ENERGY: 3067600 764.4082 2074.8291 1948.0530 104.6691 -206279.8993 17738.9862 0.0000 0.0000 34262.4550 -149386.4987 299.2225 -183648.9537 -149282.0286 299.1962 -147.5774 -115.8545 559032.1562 9.0823 9.0209 PRESSURE: 3067800 98.0754 82.5908 165.207 82.5893 -29.3521 -108.651 165.206 -108.649 -26.5349 GPRESSURE: 3067800 122.017 166.78 172.2 58.5406 1.41263 -38.1931 167.501 -155.707 11.5541 PRESSAVG: 3067800 36.0556 -27.6162 -27.4212 -27.6163 -61.4696 47.8534 -27.4212 47.8535 28.0102 GPRESSAVG: 3067800 37.8844 -28.1152 -25.0577 -28.0085 -62.2386 47.0807 -26.8856 47.349 26.7265 TIMING: 3067800 CPU: 9162.37, 0.00301048/step Wall: 9162.37, 0.00301048/step, 1.61579 hours remaining, 206.710938 MB of memory in use. ENERGY: 3067800 721.9326 2075.5031 1930.4533 109.7798 -206103.9334 17666.4368 0.0000 0.0000 34194.9443 -149404.8836 298.6330 -183599.8279 -149311.1025 297.6880 14.0628 44.9946 555352.2797 0.8654 0.7908 PRESSURE: 3068000 -42.4225 -150.086 -103.774 -150.084 55.9207 128.918 -103.772 128.919 183.61 GPRESSURE: 3068000 9.39954 -172.813 -84.545 -148.233 82.7785 105.975 -92.2943 88.454 205.033 PRESSAVG: 3068000 -34.551 41.227 18.0083 41.227 16.0978 46.896 18.0082 46.8959 46.6543 GPRESSAVG: 3068000 -34.8424 41.0093 17.7642 42.6623 16.437 47.9052 17.3853 46.9118 46.6298 TIMING: 3068000 CPU: 9162.98, 0.00303488/step Wall: 9162.98, 0.00303488/step, 1.62872 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: 3068000 745.3837 2092.8455 1943.7759 118.3484 -206462.9000 17957.7441 0.0000 0.0000 34265.9487 -149338.8536 299.2531 -183604.8023 -149241.5805 299.5182 65.7027 99.0704 555157.1401 9.4004 9.4081 PRESSURE: 3068200 95.4038 63.2091 184.634 63.209 117.695 19.6969 184.634 19.6986 -78.7801 GPRESSURE: 3068200 125.943 61.0139 116.286 61.6929 121.704 35.6591 123.533 -18.9694 -25.9508 PRESSAVG: 3068200 -44.466 58.2412 26.9366 58.2412 23.988 36.9521 26.9366 36.9521 59.0338 GPRESSAVG: 3068200 -44.7604 58.8689 28.2594 55.7478 24.862 34.9148 26.5083 37.0451 58.3064 TIMING: 3068200 CPU: 9163.59, 0.00303689/step Wall: 9163.59, 0.00303689/step, 1.62963 hours remaining, 206.710938 MB of memory in use. ENERGY: 3068200 749.6683 2119.9929 1975.4323 108.7104 -206518.0749 17856.2939 0.0000 0.0000 34288.3800 -149419.5971 299.4490 -183707.9771 -149318.9103 299.2702 44.7727 73.8987 556777.9643 12.8519 12.8027 LDB: ============= START OF LOAD BALANCING ============== 9167.02 LDB: ============== END OF LOAD BALANCING =============== 9167.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9167.03 LDB: ============= START OF LOAD BALANCING ============== 9167.33 LDB: Largest compute 4821 load 0.030197 is 25.6% of average load 0.117967 LDB: Average compute 0.001742 is 1.5% of average load 0.117967 LDB: TIME 9167.33 LOAD: AVG 0.117967 MAX 0.205378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.516 MB LDB: TIME 9167.33 LOAD: AVG 0.117967 MAX 0.205378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: TIME 9167.33 LOAD: AVG 0.117967 MAX 0.205378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9167.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9167.34 PRESSURE: 3068400 75.0197 -110.297 84.5762 -110.296 115.905 -58.7213 84.5756 -58.7232 94.3615 GPRESSURE: 3068400 77.7145 -84.3866 128.278 -62.8251 158.115 -107.18 78.0904 -50.5326 143.355 PRESSAVG: 3068400 52.0585 61.5374 -8.31952 61.5373 32.2814 44.6866 -8.31956 44.6866 -59.0235 GPRESSAVG: 3068400 51.6957 61.6859 -8.67525 62.8844 30.1993 45.9191 -7.74766 46.2392 -57.3364 TIMING: 3068400 CPU: 9164.21, 0.0031053/step Wall: 9164.21, 0.0031053/step, 1.66617 hours remaining, 206.671875 MB of memory in use. ENERGY: 3068400 752.9358 2100.4765 1936.1590 115.3850 -206840.2956 18149.4772 0.0000 0.0000 34419.9514 -149365.9107 300.5980 -183785.8620 -149270.7989 298.8049 95.0953 126.3946 556733.3334 8.4388 8.1862 PRESSURE: 3068600 36.4316 23.9618 1.13997 23.9626 -94.2931 64.074 1.14018 64.0737 -102.447 GPRESSURE: 3068600 46.3563 55.4202 -20.3313 131.699 -82.1904 78.4014 56.7988 63.1167 -38.2073 PRESSAVG: 3068600 40.853 25.518 19.7646 25.5179 59.9607 55.1271 19.7646 55.1271 -98.5058 GPRESSAVG: 3068600 41.0729 27.5783 20.6013 23.5583 60.0556 56.0311 19.5855 53.4745 -98.8255 TIMING: 3068600 CPU: 9164.82, 0.00303878/step Wall: 9164.82, 0.00303878/step, 1.63031 hours remaining, 206.875000 MB of memory in use. ENERGY: 3068600 759.2672 2101.5656 1927.8724 106.4957 -206505.4427 17950.3701 0.0000 0.0000 34417.0413 -149242.8304 300.5726 -183659.8717 -149153.9521 299.9775 -53.4362 -24.6805 557078.5599 0.7693 0.7677 PRESSURE: 3068800 -296.593 41.8013 20.3104 41.802 -133.142 -62.482 20.3095 -62.4822 -476.13 GPRESSURE: 3068800 -213.081 9.23959 114.049 19.5691 -78.8472 18.6732 -0.17138 -58.4571 -511.066 PRESSAVG: 3068800 81.066 -32.5895 28.8609 -32.5896 18.17 2.93717 28.8607 2.9372 -116.265 GPRESSAVG: 3068800 79.8103 -34.4891 26.8704 -32.6074 18.9646 2.64847 30.1621 3.38358 -115.533 TIMING: 3068800 CPU: 9165.42, 0.00300164/step Wall: 9165.42, 0.00300164/step, 1.61021 hours remaining, 206.875000 MB of memory in use. ENERGY: 3068800 744.8633 2085.1234 1948.1221 111.2828 -205966.7117 17458.5818 0.0000 0.0000 34366.5679 -149252.1705 300.1318 -183618.7384 -149150.0480 300.2168 -301.9550 -267.6650 557179.7535 -5.6763 -5.5860 PRESSURE: 3069000 -121.5 1.96117 -86.8226 1.96182 15.3377 69.572 -86.8221 69.5711 97.7407 GPRESSURE: 3069000 -44.9277 -34.4968 -50.012 38.3713 10.2718 5.95877 -102.539 77.5585 124.085 PRESSAVG: 3069000 2.26213 -63.2486 15.1306 -63.2485 41.2144 8.35682 15.1306 8.35689 -45.1103 GPRESSAVG: 3069000 2.81992 -64.6504 16.8633 -61.9116 41.4938 6.59997 14.7989 10.1615 -46.4732 TIMING: 3069000 CPU: 9166.02, 0.00299949/step Wall: 9166.02, 0.00299949/step, 1.60889 hours remaining, 206.875000 MB of memory in use. ENERGY: 3069000 759.3678 2162.6028 1935.2000 116.2777 -206586.4555 17930.6641 0.0000 0.0000 34537.2871 -149145.0559 301.6227 -183682.3431 -149045.2372 300.0950 -2.8073 29.8096 556596.6659 -0.5446 -0.7198 PRESSURE: 3069200 -213.276 95.3484 199.088 95.3461 -23.2713 213.768 199.087 213.767 -150.007 GPRESSURE: 3069200 -131.759 59.5827 204.435 127.442 -34.6445 202.663 100.932 219.517 -129.341 PRESSAVG: 3069200 39.6549 30.501 40.3508 30.5011 -14.6359 62.8744 40.3507 62.8745 8.5423 GPRESSAVG: 3069200 40.0328 29.5956 38.0251 31.7696 -15.4489 64.0523 40.5977 60.5628 8.83925 TIMING: 3069200 CPU: 9166.62, 0.00303648/step Wall: 9166.62, 0.00303648/step, 1.62856 hours remaining, 206.875000 MB of memory in use. ENERGY: 3069200 771.2160 2052.9352 1970.9127 110.4393 -206072.7819 17695.0794 0.0000 0.0000 34468.3254 -149003.8738 301.0205 -183472.1992 -148905.5572 300.0797 -128.8513 -98.5814 557219.8401 11.1871 11.1411 PRESSURE: 3069400 -222.753 62.9953 76.0342 62.9953 129.793 57.9325 76.034 57.9319 -118.76 GPRESSURE: 3069400 -179.717 -0.412362 -3.16296 110.648 167.429 156.002 165.84 84.8985 -96.7688 PRESSAVG: 3069400 -47.9622 30.1946 26.4595 30.1946 -46.2529 42.6378 26.4594 42.6378 27.7118 GPRESSAVG: 3069400 -47.3759 31.594 27.937 28.2073 -45.824 43.7924 28.6986 44.2378 26.9129 TIMING: 3069400 CPU: 9167.23, 0.00301154/step Wall: 9167.23, 0.00301154/step, 1.61502 hours remaining, 206.875000 MB of memory in use. ENERGY: 3069400 741.8637 2089.1482 1959.2861 108.1733 -206303.7595 17869.3498 0.0000 0.0000 34307.9179 -149228.0206 299.6196 -183535.9384 -149137.7030 300.3062 -70.5731 -36.3525 557351.7589 -22.1678 -22.0957 PRESSURE: 3069600 -26.035 -59.6204 44.5953 -59.6196 -190.855 46.9733 44.5963 46.9736 -54.8459 GPRESSURE: 3069600 18.371 -86.2466 65.1391 -19.4598 -192.085 43.8429 21.5547 93.2421 3.07106 PRESSAVG: 3069600 -33.3271 42.906 22.7991 42.9059 3.40159 24.0016 22.7992 24.0017 -2.05229 GPRESSAVG: 3069600 -34.0478 42.1299 23.1167 44.7288 3.87108 21.6003 18.8312 23.6276 -1.77406 TIMING: 3069600 CPU: 9167.84, 0.00306042/step Wall: 9167.84, 0.00306042/step, 1.64106 hours remaining, 206.875000 MB of memory in use. ENERGY: 3069600 722.3071 2047.1313 1926.4921 109.6777 -205904.0926 17591.9823 0.0000 0.0000 34363.2037 -149143.2983 300.1024 -183506.5020 -149045.4419 299.5894 -90.5785 -56.8809 557450.8889 -10.6593 -10.6503 PRESSURE: 3069800 -59.5968 -130.605 -124.116 -130.606 158.054 9.12181 -124.116 9.12376 73.7934 GPRESSURE: 3069800 -25.0191 -119.974 -115.46 -135.589 207.838 -34.6536 -168.298 -3.2676 86.5398 PRESSAVG: 3069800 27.7147 -12.8712 9.39647 -12.8712 -27.557 -23.778 9.39643 -23.778 -9.84399 GPRESSAVG: 3069800 27.2834 -12.2263 9.47335 -14.4029 -28.9767 -23.6993 11.3645 -24.5759 -8.60417 TIMING: 3069800 CPU: 9168.44, 0.00301324/step Wall: 9168.44, 0.00301324/step, 1.6156 hours remaining, 206.875000 MB of memory in use. ENERGY: 3069800 743.8067 2031.5821 1974.7192 117.7564 -206271.6038 17902.2964 0.0000 0.0000 34153.4693 -149347.9737 298.2707 -183501.4430 -149249.8356 299.2888 57.4168 89.7863 557349.8514 -3.2288 -3.4325 PRESSURE: 3070000 -13.0633 -100.303 -64.5739 -100.304 0.635294 -79.4796 -64.5748 -79.4795 45.2258 GPRESSURE: 3070000 17.6403 -81.7887 -45.882 -71.5153 55.742 9.95448 -96.0227 -109.913 65.7587 PRESSAVG: 3070000 6.9653 -57.2751 -22.2762 -57.2751 3.86811 -15.8396 -22.2762 -15.8395 -12.9736 GPRESSAVG: 3070000 6.52258 -56.5727 -20.7647 -55.1579 3.82501 -14.9837 -21.9701 -17.3515 -12.6399 TIMING: 3070000 CPU: 9169.05, 0.00304386/step Wall: 9169.05, 0.00304386/step, 1.63185 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: 3070000 761.0019 2053.5636 1943.6711 114.0890 -206803.1247 18154.7337 0.0000 0.0000 34359.6353 -149416.4301 300.0712 -183776.0654 -149311.1816 298.3101 10.9326 46.3803 558400.8728 -0.7134 -0.7641 PRESSURE: 3070200 -87.586 -61.8644 62.0151 -61.8651 -82.8097 -51.8838 62.015 -51.8852 21.799 GPRESSURE: 3070200 -44.4896 -71.6988 52.208 -13.4876 -71.8605 -47.7399 94.0518 -83.9456 69.1854 PRESSAVG: 3070200 -33.1349 -24.5341 26.2912 -24.5341 77.417 28.015 26.2912 28.0149 -15.883 GPRESSAVG: 3070200 -31.6409 -24.6951 23.7938 -23.3073 76.8996 25.5699 26.6168 30.7693 -17.0934 TIMING: 3070200 CPU: 9169.67, 0.00308075/step Wall: 9169.67, 0.00308075/step, 1.65145 hours remaining, 206.875000 MB of memory in use. ENERGY: 3070200 779.4127 2061.4483 1950.2192 114.5079 -206280.1206 17711.9792 0.0000 0.0000 34237.9195 -149424.6337 299.0083 -183662.5533 -149325.0381 298.9336 -49.5322 -15.7215 557329.7569 9.4664 9.3884 PRESSURE: 3070400 -44.467 -13.6184 -55.6688 -13.6182 142.385 -72.0674 -55.6693 -72.0689 15.5387 GPRESSURE: 3070400 -54.9345 41.4339 1.19612 -8.8897 174.511 -169.007 -84.3364 71.531 86.7439 PRESSAVG: 3070400 -28.0242 -37.967 18.3155 -37.967 91.351 37.7478 18.3154 37.7479 -82.8833 GPRESSAVG: 3070400 -28.7831 -37.5986 18.4369 -41.199 92.8352 40.0275 18.3505 36.4454 -83.2591 TIMING: 3070400 CPU: 9170.28, 0.00305619/step Wall: 9170.28, 0.00305619/step, 1.63812 hours remaining, 206.875000 MB of memory in use. ENERGY: 3070400 761.3311 2091.5344 1956.0613 107.8052 -206571.3000 17961.8426 0.0000 0.0000 34185.5467 -149507.1788 298.5509 -183692.7255 -149405.2762 298.4138 37.8191 68.7735 556739.0109 -6.5189 -6.4023 PRESSURE: 3070600 88.3719 -50.6547 126.789 -50.6539 157.542 15.671 126.79 15.672 -122.313 GPRESSURE: 3070600 206.351 -68.8408 46.9151 -151.982 133.69 39.9761 110.517 -40.0988 -108.508 PRESSAVG: 3070600 8.93234 -11.5588 -2.18895 -11.5588 -8.32061 -17.9332 -2.18895 -17.9332 -6.63656 GPRESSAVG: 3070600 9.75806 -11.8933 -1.01689 -10.447 -8.93141 -19.0552 -2.84849 -18.0134 -6.83517 TIMING: 3070600 CPU: 9170.89, 0.00304145/step Wall: 9170.89, 0.00304145/step, 1.63005 hours remaining, 206.875000 MB of memory in use. ENERGY: 3070600 797.5643 2064.3247 1970.6455 113.1627 -206512.2019 17920.1466 0.0000 0.0000 34227.5324 -149418.8256 298.9176 -183646.3581 -149323.7914 299.2847 41.2002 77.1777 556816.1758 -2.0083 -2.0028 PRESSURE: 3070800 -50.5928 64.4747 36.2642 64.4764 158.014 91.9142 36.264 91.9141 77.6727 GPRESSURE: 3070800 5.85456 53.0324 9.21566 70.9294 190.491 210.501 13.379 47.8192 79.8075 PRESSAVG: 3070800 -31.0468 33.2914 -55.7403 33.2915 23.4883 -12.2644 -55.7403 -12.2645 9.39654 GPRESSAVG: 3070800 -31.3282 35.4663 -56.7231 32.1571 23.551 -12.1928 -55.5003 -12.8937 9.6345 TIMING: 3070800 CPU: 9171.5, 0.00304633/step Wall: 9171.5, 0.00304633/step, 1.63249 hours remaining, 206.875000 MB of memory in use. ENERGY: 3070800 758.5747 2084.8957 1946.9245 106.9841 -206309.3206 17852.2741 0.0000 0.0000 34188.7200 -149370.9476 298.5786 -183559.6676 -149276.7323 299.4438 61.6980 92.0512 556540.8636 0.6127 0.6191 PRESSURE: 3071000 -0.909517 -64.7884 158.456 -64.7876 -107.187 10.196 158.457 10.1971 -23.1447 GPRESSURE: 3071000 66.1476 -59.4245 218.412 -31.9838 -93.6786 -73.7383 47.8934 49.9263 4.92356 PRESSAVG: 3071000 3.72978 29.6688 -37.4499 29.6688 32.707 -43.3787 -37.4499 -43.3787 -45.2897 GPRESSAVG: 3071000 2.89733 29.0669 -34.9952 28.9648 33.0186 -43.554 -36.6995 -43.3928 -44.8979 TIMING: 3071000 CPU: 9172.1, 0.0030286/step Wall: 9172.1, 0.0030286/step, 1.62282 hours remaining, 206.875000 MB of memory in use. ENERGY: 3071000 721.4562 2090.6503 1954.5370 113.6582 -205976.1780 17507.0990 0.0000 0.0000 34350.2885 -149238.4887 299.9896 -183588.7772 -149147.1333 299.3533 -43.7470 -7.5358 557106.9486 -2.9510 -2.9940 PRESSURE: 3071200 -26.4044 119.274 50.8765 119.274 73.3564 185.376 50.877 185.377 69.2416 GPRESSURE: 3071200 12.0309 32.2657 157.918 59.4027 96.251 187.408 -30.7952 202.357 101.804 PRESSAVG: 3071200 21.9256 16.5228 19.4964 16.5227 13.3288 -6.97121 19.4964 -6.97129 -40.8532 GPRESSAVG: 3071200 23.1797 15.4764 19.1431 17.6955 11.9893 -7.62945 17.6608 -5.92291 -41.0912 TIMING: 3071200 CPU: 9172.7, 0.00300447/step Wall: 9172.7, 0.00300447/step, 1.60973 hours remaining, 206.875000 MB of memory in use. ENERGY: 3071200 740.7381 2113.9990 1948.9148 110.9261 -206389.7890 17854.9113 0.0000 0.0000 34590.9692 -149029.3305 302.0915 -183620.2996 -148928.3406 300.1365 38.7312 70.0286 556427.3662 -1.8663 -1.9740 PRESSURE: 3071400 66.8147 -14.6727 -155.415 -14.6713 22.446 131.122 -155.414 131.123 65.9267 GPRESSURE: 3071400 108.39 -14.1313 -143.395 -3.60207 33.1243 16.3676 -129.041 138.485 125.062 PRESSAVG: 3071400 -16.743 -16.2096 -25.939 -16.2096 29.1045 -29.8553 -25.939 -29.8553 -26.2852 GPRESSAVG: 3071400 -16.9994 -14.6566 -23.7202 -17.3332 29.6254 -29.6467 -26.5118 -31.3716 -26.1931 TIMING: 3071400 CPU: 9173.31, 0.00303653/step Wall: 9173.31, 0.00303653/step, 1.62673 hours remaining, 206.875000 MB of memory in use. ENERGY: 3071400 765.3866 2072.9014 1941.2133 111.6504 -206177.5830 17861.7461 0.0000 0.0000 34405.2801 -149019.4051 300.4699 -183424.6852 -148922.6259 300.8189 51.7291 88.8586 556423.3626 -4.6412 -4.5224 PRESSURE: 3071600 11.4418 92.4912 26.2842 92.4917 188.434 -100.273 26.2825 -100.273 41.3918 GPRESSURE: 3071600 46.868 6.19627 -3.26666 177.727 217.956 -90.7719 97.2263 -102.328 67.9911 PRESSAVG: 3071600 14.0903 92.7694 -24.3038 92.7693 3.74424 20.9366 -24.3037 20.9367 12.3407 GPRESSAVG: 3071600 13.3635 91.7887 -25.2973 92.5408 5.42935 20.6965 -24.1558 22.6492 11.2715 TIMING: 3071600 CPU: 9173.92, 0.0030583/step Wall: 9173.92, 0.0030583/step, 1.63823 hours remaining, 206.875000 MB of memory in use. ENERGY: 3071600 732.9350 2076.0284 1951.2785 104.1943 -206680.9293 18046.2635 0.0000 0.0000 34604.2089 -149166.0207 302.2072 -183770.2296 -149066.2202 299.7715 80.4225 110.9385 555940.8263 10.0584 10.0214 PRESSURE: 3071800 -43.7925 5.18014 115.258 5.17932 -478.609 -72.9649 115.259 -72.9655 -45.9643 GPRESSURE: 3071800 -73.1107 122.223 52.3422 -27.7007 -417.94 -164.613 78.9073 -46.565 24.1653 PRESSAVG: 3071800 27.977 48.9718 -41.5298 48.9718 -21.5419 25.4865 -41.5299 25.4865 1.95569 GPRESSAVG: 3071800 27.2371 48.965 -42.5042 50.1642 -21.5103 27.2627 -40.5481 23.363 2.61144 TIMING: 3071800 CPU: 9174.53, 0.00303817/step Wall: 9174.53, 0.00303817/step, 1.62728 hours remaining, 206.875000 MB of memory in use. ENERGY: 3071800 790.6283 2095.6672 1972.3132 100.8433 -206002.4456 17414.8691 0.0000 0.0000 34465.4951 -149162.6295 300.9957 -183628.1246 -149071.1453 300.3059 -189.4552 -155.6286 556133.6504 2.7969 2.7794 PRESSURE: 3072000 134.612 -80.0558 45.8482 -80.056 189.984 134.398 45.8491 134.399 152.601 GPRESSURE: 3072000 140.382 -13.6153 44.4601 -104.827 235.521 157.595 96.2224 40.9558 202.715 PRESSAVG: 3072000 -84.6294 20.9213 37.9853 20.9213 53.7073 -1.59629 37.9853 -1.59633 42.0883 GPRESSAVG: 3072000 -83.4867 21.3847 39.12 20.6296 51.8737 -1.38297 38.1611 -0.950585 42.8276 TIMING: 3072000 CPU: 9175.14, 0.00303559/step Wall: 9175.14, 0.00303559/step, 1.62572 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: 3072000 747.2553 2102.9667 1950.0298 120.2224 -206543.7882 17985.2417 0.0000 0.0000 34344.1047 -149293.9677 299.9356 -183638.0724 -149189.5646 300.1340 159.0658 192.8727 556232.7282 3.7221 3.7382 PRESSURE: 3072200 142.818 211.828 9.56964 211.827 137.606 -190.616 9.56884 -190.616 -198.082 GPRESSURE: 3072200 176.321 239.701 28.9405 115.621 156.206 -122.622 14.0644 -142.83 -154.44 PRESSAVG: 3072200 -11.8997 55.3993 24.833 55.3993 1.4371 -46.8706 24.8331 -46.8706 40.1184 GPRESSAVG: 3072200 -13.1635 56.4789 22.9143 52.9843 2.65617 -47.8244 25.8514 -45.3131 39.9298 TIMING: 3072200 CPU: 9175.74, 0.00303249/step Wall: 9175.74, 0.00303249/step, 1.6239 hours remaining, 206.875000 MB of memory in use. ENERGY: 3072200 765.3221 2170.0744 1932.6048 121.8759 -206247.1646 17741.4077 0.0000 0.0000 34295.2541 -149220.6256 299.5090 -183515.8797 -149127.7302 300.3400 27.4473 59.3625 555412.5490 9.8853 9.8075 LDB: ============= START OF LOAD BALANCING ============== 9179.17 LDB: ============== END OF LOAD BALANCING =============== 9179.17 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9179.17 LDB: ============= START OF LOAD BALANCING ============== 9179.47 LDB: Largest compute 4821 load 0.031007 is 26.3% of average load 0.118083 LDB: Average compute 0.001744 is 1.5% of average load 0.118083 LDB: TIME 9179.48 LOAD: AVG 0.118083 MAX 0.201708 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.605 MB LDB: TIME 9179.48 LOAD: AVG 0.118083 MAX 0.201708 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.605 MB LDB: TIME 9179.48 LOAD: AVG 0.118083 MAX 0.201708 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.605 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9179.48 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9179.48 PRESSURE: 3072400 84.4617 173.024 -86.002 173.024 -17.8726 -20.4972 -86.0038 -20.4967 -19.8751 GPRESSURE: 3072400 106.254 155.278 -36.3845 179.262 -30.1468 11.1321 -100.11 5.45497 66.8011 PRESSAVG: 3072400 38.253 89.2552 -3.50706 89.2552 -4.9267 -19.1073 -3.50691 -19.1073 -13.7982 GPRESSAVG: 3072400 38.759 89.5475 -1.71694 92.0138 -6.00469 -19.0192 -4.05639 -19.2722 -13.5872 TIMING: 3072400 CPU: 9176.35, 0.00306039/step Wall: 9176.35, 0.00306039/step, 1.63867 hours remaining, 206.707031 MB of memory in use. ENERGY: 3072400 716.9433 2085.2576 1938.9163 100.3223 -205772.3474 17501.5105 0.0000 0.0000 34164.3999 -149264.9974 298.3662 -183429.3974 -149168.3834 299.5550 15.5713 47.6360 555904.9642 6.5093 6.3890 PRESSURE: 3072600 -67.1944 135.947 -113.912 135.947 104.541 27.9788 -113.912 27.9778 12.4883 GPRESSURE: 3072600 -108.992 91.5738 -194.233 152.732 138.791 -23.0347 -20.2661 55.9358 110.289 PRESSAVG: 3072600 -0.749399 39.3176 -15.1874 39.3177 19.2108 28.2671 -15.1875 28.2671 -5.14316 GPRESSAVG: 3072600 -0.758444 38.3326 -16.4964 38.0146 19.1201 27.3013 -15.1535 29.0005 -5.13381 TIMING: 3072600 CPU: 9176.96, 0.00300994/step Wall: 9176.96, 0.00300994/step, 1.61149 hours remaining, 206.707031 MB of memory in use. ENERGY: 3072600 732.3312 2145.6236 1960.1152 102.2105 -206549.7583 17936.4664 0.0000 0.0000 34474.1627 -149198.8488 301.0714 -183673.0115 -149105.7233 299.5877 16.6115 46.6959 557998.0457 4.4394 4.4093 PRESSURE: 3072800 -158.379 49.9091 -33.4684 49.9089 67.7359 170.224 -33.4682 170.223 84.3443 GPRESSURE: 3072800 -134.47 1.16454 -23.2236 121.95 111.492 136.095 -165.064 146.104 111.523 PRESSAVG: 3072800 17.0686 76.3076 -41.1429 76.3075 34.4551 85.0265 -41.1428 85.0265 -29.5575 GPRESSAVG: 3072800 17.2304 74.3402 -41.8369 78.0639 34.2633 87.6729 -41.7633 81.7422 -29.8427 TIMING: 3072800 CPU: 9177.56, 0.00303069/step Wall: 9177.56, 0.00303069/step, 1.62243 hours remaining, 206.707031 MB of memory in use. ENERGY: 3072800 762.6963 2135.0065 1961.7852 114.1204 -206280.6950 17746.0070 0.0000 0.0000 34321.9931 -149239.0865 299.7425 -183561.0796 -149141.5131 299.5104 -2.0996 29.5151 556739.6220 7.3221 7.2170 PRESSURE: 3073000 -14.7387 98.5538 -166.422 98.5532 -172.568 19.4473 -166.422 19.4476 -75.3509 GPRESSURE: 3073000 61.9651 89.61 -152.31 197.94 -182.286 61.1185 -191.555 45.6631 -43.3721 PRESSAVG: 3073000 -21.5611 23.687 21.5921 23.687 24.9175 11.3407 21.5921 11.3408 6.3786 GPRESSAVG: 3073000 -20.6296 26.1129 22.254 22.6643 26.4224 10.0353 20.8318 13.5721 3.81056 TIMING: 3073000 CPU: 9178.18, 0.00308038/step Wall: 9178.18, 0.00308038/step, 1.64886 hours remaining, 206.707031 MB of memory in use. ENERGY: 3073000 759.2947 2100.7643 1934.6704 102.4207 -206270.5540 17764.0954 0.0000 0.0000 34404.1289 -149205.1797 300.4598 -183609.3086 -149101.1029 299.3222 -87.5524 -54.5643 559385.5232 3.2450 3.2011 PRESSURE: 3073200 228.293 -108.594 104.402 -108.595 219.857 141.679 104.402 141.68 242.732 GPRESSURE: 3073200 211.439 -146.021 168.658 -162.057 239.478 140.079 28.7121 43.5748 343.963 PRESSAVG: 3073200 -54.5769 -3.54906 19.0448 -3.549 17.8735 -23.1026 19.0449 -23.1026 48.2413 GPRESSAVG: 3073200 -55.0304 -3.96648 20.5904 -3.84139 17.6712 -21.5861 20.163 -25.1175 49.2722 TIMING: 3073200 CPU: 9178.8, 0.00312378/step Wall: 9178.8, 0.00312378/step, 1.67192 hours remaining, 206.707031 MB of memory in use. ENERGY: 3073200 735.8909 2075.9128 1932.0920 99.6222 -206783.9527 18243.3681 0.0000 0.0000 34326.1745 -149370.8922 299.7790 -183697.0666 -149271.1807 298.9138 230.2941 264.9598 557580.9499 3.8460 3.9710 PRESSURE: 3073400 -16.7735 123.21 96.4888 123.21 135.68 -14.8992 96.4901 -14.8981 -36.9568 GPRESSURE: 3073400 56.9244 47.1974 103.858 157.206 119.533 -91.1479 83.9559 -96.205 4.05279 PRESSAVG: 3073400 -86.8302 82.6815 10.2403 82.6814 51.2629 -26.6832 10.2403 -26.6831 68.7828 GPRESSAVG: 3073400 -87.0377 79.5348 8.79772 83.3598 50.2797 -28.0185 9.8174 -24.9856 69.9953 TIMING: 3073400 CPU: 9179.42, 0.00307093/step Wall: 9179.42, 0.00307093/step, 1.64346 hours remaining, 206.707031 MB of memory in use. ENERGY: 3073400 716.5033 2094.7430 1961.5206 109.8546 -206198.7660 17700.8194 0.0000 0.0000 34162.9347 -149452.3905 298.3534 -183615.3252 -149360.2863 299.6188 27.3165 60.1701 557143.9451 11.0718 11.0791 PRESSURE: 3073600 45.9589 -83.5273 -88.4812 -83.5298 159.224 -13.4261 -88.4798 -13.4265 204.956 GPRESSURE: 3073600 59.8187 -113.376 -105.767 -80.813 164.354 -48.0059 -76.4811 -44.6565 283.275 PRESSAVG: 3073600 -66.4137 12.1353 -4.85742 12.1353 38.6706 -27.8293 -4.85745 -27.8292 31.8035 GPRESSAVG: 3073600 -65.5244 15.6766 -4.04278 12.1904 38.3866 -27.4217 -4.1339 -28.7764 31.6928 TIMING: 3073600 CPU: 9180.02, 0.00302623/step Wall: 9180.02, 0.00302623/step, 1.61937 hours remaining, 206.707031 MB of memory in use. ENERGY: 3073600 728.4065 2069.6581 1943.9985 117.3987 -206488.4171 17956.7151 0.0000 0.0000 34274.6300 -149397.6102 299.3289 -183672.2403 -149303.2978 298.4811 136.7130 169.1492 556974.2581 1.3535 1.5183 PRESSURE: 3073800 354.146 33.9954 113.735 33.996 -20.0077 -80.0019 113.736 -80.0009 98.2223 GPRESSURE: 3073800 393.578 91.2557 86.1782 77.5841 -13.467 -6.23777 139.561 -87.6524 138.619 PRESSAVG: 3073800 13.8831 28.0225 10.7079 28.0225 -83.4006 -45.7487 10.7079 -45.7487 77.5876 GPRESSAVG: 3073800 14.7784 26.4749 10.031 27.4891 -82.5517 -46.1224 10.0225 -44.9686 76.3726 TIMING: 3073800 CPU: 9180.63, 0.00302553/step Wall: 9180.63, 0.00302553/step, 1.61883 hours remaining, 206.707031 MB of memory in use. ENERGY: 3073800 770.2972 2104.3217 1946.8518 113.8208 -206170.9763 17982.4068 0.0000 0.0000 34031.5606 -149221.7173 297.2061 -183253.2780 -149130.1663 298.8836 144.1202 172.9100 557852.1177 2.6900 2.8664 PRESSURE: 3074000 260.293 16.2081 -86.0443 16.2085 -22.0005 91.4094 -86.0441 91.4096 -5.20813 GPRESSURE: 3074000 311.097 -40.0546 -40.6225 1.16241 6.27779 100.291 -30.33 -18.7134 15.4186 PRESSAVG: 3074000 3.32474 15.6274 14.8246 15.6275 12.1872 -15.6593 14.8246 -15.6593 13.6662 GPRESSAVG: 3074000 3.74497 13.0225 14.1369 17.9067 12.204 -15.741 16.1871 -15.2203 13.7982 TIMING: 3074000 CPU: 9181.23, 0.00300237/step Wall: 9181.23, 0.00300237/step, 1.60627 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: 3074000 760.8244 2111.2614 1926.7177 104.2735 -206876.1034 18067.1381 0.0000 0.0000 34472.7168 -149433.1715 301.0588 -183905.8884 -149331.8031 298.9996 77.6949 110.9313 556714.8788 9.7260 9.9157 PRESSURE: 3074200 5.1321 115.205 41.7884 115.205 -188.77 273.608 41.7888 273.61 -89.703 GPRESSURE: 3074200 20.5129 126.113 63.8262 118.375 -91.3415 265.248 -5.0611 258.827 -92.9379 PRESSAVG: 3074200 5.09522 7.50194 -2.41695 7.502 12.6198 -18.9983 -2.41695 -18.9984 5.73456 GPRESSAVG: 3074200 5.52351 11.0261 -0.928685 5.32982 12.0972 -19.9046 -3.9438 -18.8011 5.64056 TIMING: 3074200 CPU: 9181.83, 0.00301079/step Wall: 9181.83, 0.00301079/step, 1.61061 hours remaining, 206.707031 MB of memory in use. ENERGY: 3074200 730.1414 2098.9701 1964.9244 119.7608 -205986.2976 17639.3237 0.0000 0.0000 34093.7284 -149339.4489 297.7490 -183433.1773 -149244.7596 299.4410 -91.1138 -54.5888 557291.9099 7.8165 7.7538 PRESSURE: 3074400 118.031 37.9962 2.90905 37.9954 -425.79 31.084 2.90902 31.0838 238.592 GPRESSURE: 3074400 141.949 125.526 -59.3303 12.0719 -376.393 -16.4406 45.4248 171.305 255.491 PRESSAVG: 3074400 -28.6567 61.662 42.4311 61.6619 -13.7776 32.1056 42.431 32.1056 73.5102 GPRESSAVG: 3074400 -30.1316 60.1014 42.0432 63.998 -12.9923 33.4563 45.1059 30.8683 74.4556 TIMING: 3074400 CPU: 9182.43, 0.00301463/step Wall: 9182.43, 0.00301463/step, 1.61249 hours remaining, 206.707031 MB of memory in use. ENERGY: 3074400 721.9778 2109.9921 1905.7426 111.0420 -206131.9494 17854.5280 0.0000 0.0000 34248.9326 -149179.7344 299.1044 -183428.6670 -149087.4491 299.2689 -23.0557 7.0158 557131.5300 10.3586 10.4439 PRESSURE: 3074600 -149.226 98.2425 58.0841 98.2433 -101.106 -21.4391 58.0837 -21.4365 114.536 GPRESSURE: 3074600 -120.201 80.6065 -47.276 69.688 -62.091 4.51624 17.1537 -43.1589 137.096 PRESSAVG: 3074600 -84.965 32.0808 -26.1832 32.0809 10.3367 44.3975 -26.1831 44.3975 47.8797 GPRESSAVG: 3074600 -84.6347 32.9778 -27.8919 30.2306 9.4406 44.9825 -27.1965 45.2555 47.8788 TIMING: 3074600 CPU: 9183.03, 0.00298555/step Wall: 9183.03, 0.00298555/step, 1.59677 hours remaining, 206.707031 MB of memory in use. ENERGY: 3074600 730.8415 2059.1960 1933.3146 113.5235 -206262.1595 17802.4520 0.0000 0.0000 34358.5998 -149264.2321 300.0622 -183622.8319 -149172.9659 299.4547 -45.2656 -15.0654 557241.6144 -8.9162 -9.1051 PRESSURE: 3074800 -32.9236 -32.3977 55.2884 -32.3982 -325.665 -193.391 55.2873 -193.391 -25.4178 GPRESSURE: 3074800 24.2846 -75.9572 110.725 -12.0979 -285.829 -187.624 92.264 -184.989 -20.7458 PRESSAVG: 3074800 -45.8638 78.38 -17.5816 78.38 -19.3607 -23.6982 -17.5816 -23.6981 67.2361 GPRESSAVG: 3074800 -45.4064 79.3885 -16.1866 77.0113 -19.995 -25.9365 -16.6891 -24.1788 67.5788 TIMING: 3074800 CPU: 9183.64, 0.00302711/step Wall: 9183.64, 0.00302711/step, 1.61883 hours remaining, 206.707031 MB of memory in use. ENERGY: 3074800 742.1911 2088.2798 1946.5018 107.6600 -205877.4802 17604.2040 0.0000 0.0000 34217.6201 -149171.0232 298.8310 -183388.6434 -149071.6044 299.5423 -128.0022 -94.0968 557390.8767 0.6706 0.7258 PRESSURE: 3075000 -197.35 135.443 -105.197 135.443 -30.882 64.1585 -105.197 64.1574 -192.216 GPRESSURE: 3075000 -170.509 151.225 -80.8442 134.881 0.760018 94.3614 -15.4019 -4.74269 -160.233 PRESSAVG: 3075000 -11.4698 39.8554 38.0911 39.8553 -4.00729 -17.4015 38.0911 -17.4014 81.2709 GPRESSAVG: 3075000 -11.5473 37.3939 38.2752 42.504 -3.0448 -15.642 35.31 -16.456 79.9479 TIMING: 3075000 CPU: 9184.24, 0.003038/step Wall: 9184.24, 0.003038/step, 1.62449 hours remaining, 206.707031 MB of memory in use. ENERGY: 3075000 757.9688 2061.0186 1946.7428 108.6500 -206147.9187 17755.1153 0.0000 0.0000 34423.6531 -149094.7702 300.6303 -183518.4232 -149000.9741 299.2971 -140.1496 -109.9940 557192.0700 21.9313 21.7852 PRESSURE: 3075200 -14.7169 164.096 9.46813 164.097 18.8581 10.3831 9.4671 10.3847 182.714 GPRESSURE: 3075200 34.1115 193.743 -8.24332 82.5271 10.0631 24.7888 -74.1915 -8.51916 256.728 PRESSAVG: 3075200 -1.96447 -31.7189 27.8091 -31.7189 -10.8042 -47.165 27.8091 -47.1651 46.2563 GPRESSAVG: 3075200 -2.9195 -31.0201 28.3729 -30.2593 -10.7103 -47.26 25.7053 -48.2723 46.9669 TIMING: 3075200 CPU: 9184.85, 0.00301468/step Wall: 9184.85, 0.00301468/step, 1.61185 hours remaining, 206.707031 MB of memory in use. ENERGY: 3075200 720.3570 2035.3633 1927.8574 103.8270 -206408.4877 18072.5237 0.0000 0.0000 34167.9118 -149380.6476 298.3969 -183548.5594 -149288.2050 299.0479 62.2852 100.3008 558475.7075 11.1626 11.1124 PRESSURE: 3075400 101.481 -99.7817 50.8656 -99.7816 -13.8971 63.3854 50.8656 63.3864 208.011 GPRESSURE: 3075400 152.113 -115.467 145.391 -77.6557 28.5636 51.7853 -69.2802 11.0358 219.884 PRESSAVG: 3075400 -9.56001 26.7115 -9.81493 26.7115 -50.2351 -34.4682 -9.81487 -34.4681 57.2467 GPRESSAVG: 3075400 -8.75106 26.2492 -11.2403 25.1685 -51.8622 -34.9793 -5.07701 -33.0941 57.3726 TIMING: 3075400 CPU: 9185.45, 0.00302915/step Wall: 9185.45, 0.00302915/step, 1.61942 hours remaining, 206.707031 MB of memory in use. ENERGY: 3075400 733.9932 2102.5733 1927.8571 108.3043 -206228.8784 17801.7155 0.0000 0.0000 34084.0678 -149470.3673 297.6646 -183554.4351 -149379.7460 298.6800 98.5317 133.5200 557971.4374 -0.8495 -1.0802 PRESSURE: 3075600 -26.273 -91.0549 -40.6737 -91.0552 -198.914 -29.4832 -40.6753 -29.4831 -8.65528 GPRESSURE: 3075600 -7.36461 -132.206 -65.5239 -82.8195 -97.4461 -44.2663 -10.9434 10.2438 -19.9252 PRESSAVG: 3075600 125.765 -16.8938 -20.3963 -16.8937 -43.443 -21.2635 -20.3963 -21.2635 -110.435 GPRESSAVG: 3075600 125.729 -15.7883 -19.9138 -17.655 -41.7542 -21.115 -22.1005 -21.8082 -111.664 TIMING: 3075600 CPU: 9186.07, 0.0030791/step Wall: 9186.07, 0.0030791/step, 1.64595 hours remaining, 206.707031 MB of memory in use. ENERGY: 3075600 711.8955 2095.2123 1939.0804 110.3971 -206057.5456 17657.9977 0.0000 0.0000 34240.4758 -149302.4867 299.0306 -183542.9625 -149200.2981 298.6082 -77.9475 -41.5786 558833.2392 -9.3710 -9.2298 PRESSURE: 3075800 -228.054 -76.6225 -126.26 -76.6233 -280.184 26.6904 -126.26 26.6912 49.6319 GPRESSURE: 3075800 -229.862 -177.683 -164.057 1.66655 -244.834 37.1455 -154.503 13.0774 103.213 PRESSAVG: 3075800 27.5113 33.0603 -14.7594 33.0602 16.1914 1.86974 -14.7594 1.86968 -4.33232 GPRESSAVG: 3075800 27.5844 33.339 -14.2126 33.5544 16.3153 2.81333 -15.6313 0.831471 -4.69795 TIMING: 3075800 CPU: 9186.68, 0.00307401/step Wall: 9186.68, 0.00307401/step, 1.64306 hours remaining, 206.707031 MB of memory in use. ENERGY: 3075800 733.8228 2133.4075 1963.0433 109.6077 -206243.7570 17716.5575 0.0000 0.0000 34414.4703 -149172.8478 300.5501 -183587.3181 -149077.7007 299.1144 -152.8687 -123.8279 559179.2020 13.1234 13.0673 PRESSURE: 3076000 17.1936 -64.5496 91.2847 -64.5514 -81.8935 140.116 91.2849 140.119 75.7283 GPRESSURE: 3076000 91.4244 -54.7073 63.417 -75.9646 -26.7899 156.429 29.1807 115.469 38.8947 PRESSAVG: 3076000 10.9681 -44.2729 -45.3952 -44.273 -28.691 37.4156 -45.3952 37.4157 5.46644 GPRESSAVG: 3076000 10.7167 -45.2172 -43.9675 -41.499 -28.7261 36.5137 -43.6498 38.0939 5.3763 TIMING: 3076000 CPU: 9187.3, 0.00308546/step Wall: 9187.3, 0.00308545/step, 1.649 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: 3076000 789.8426 2082.8764 1931.0736 105.7367 -206536.5499 18073.4054 0.0000 0.0000 34480.8834 -149072.7320 301.1301 -183553.6153 -148983.4560 299.7388 3.6761 34.5097 560120.0434 -4.0855 -4.2111 PRESSURE: 3076200 92.913 -372.85 -83.559 -372.849 320.456 -55.4985 -83.5585 -55.4981 78.7148 GPRESSURE: 3076200 147.791 -379.554 -158.887 -328.671 346.087 -62.7043 -43.5566 -38.4414 88.8564 PRESSAVG: 3076200 29.6775 -62.8383 -11.0342 -62.8382 -6.41378 -11.2599 -11.0342 -11.2598 -19.9865 GPRESSAVG: 3076200 29.557 -65.3463 -13.4872 -63.4873 -6.80074 -11.5823 -10.808 -13.0365 -19.373 TIMING: 3076200 CPU: 9187.9, 0.00301218/step Wall: 9187.9, 0.00301219/step, 1.60968 hours remaining, 206.707031 MB of memory in use. ENERGY: 3076200 737.7683 2147.5936 1911.6083 112.2523 -206537.0316 18092.5350 0.0000 0.0000 34513.1118 -149022.1622 301.4116 -183535.2740 -148922.8404 300.5388 164.0278 194.2447 558086.4626 1.0924 1.1278 LDB: ============= START OF LOAD BALANCING ============== 9191.34 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9191.34 LDB: =============== DONE WITH MIGRATION ================ 9191.34 LDB: ============= START OF LOAD BALANCING ============== 9191.64 LDB: Largest compute 4820 load 0.030419 is 25.8% of average load 0.118036 LDB: Average compute 0.001745 is 1.5% of average load 0.118036 LDB: TIME 9191.64 LOAD: AVG 0.118036 MAX 0.204837 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 9191.64 LOAD: AVG 0.118036 MAX 0.204837 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 9191.64 LOAD: AVG 0.118036 MAX 0.204837 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9191.64 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9191.65 PRESSURE: 3076400 74.6239 231.563 129.345 231.563 -239.281 -37.1106 129.345 -37.1091 -261.022 GPRESSURE: 3076400 137.699 192.312 83.4289 234.747 -186.124 -88.8131 144.962 28.9363 -286.893 PRESSAVG: 3076400 47.9092 -27.4517 -0.877961 -27.4517 54.1463 -14.0485 -0.877899 -14.0485 -39.8511 GPRESSAVG: 3076400 48.4733 -22.4191 -0.563874 -29.8396 53.2333 -12.0903 -1.58821 -13.8574 -39.9412 TIMING: 3076400 CPU: 9188.52, 0.00308254/step Wall: 9188.52, 0.00308254/step, 1.6471 hours remaining, 205.742188 MB of memory in use. ENERGY: 3076400 749.0058 2059.1374 1948.9064 125.7563 -206211.5482 17839.6923 0.0000 0.0000 34448.7556 -149040.2943 300.8496 -183489.0499 -148943.2684 300.2539 -141.8932 -111.7725 559853.1694 20.7348 20.5885 PRESSURE: 3076600 -208.348 -192.677 156.815 -192.677 -124.946 125.709 156.814 125.71 -241.921 GPRESSURE: 3076600 -143.721 -151.217 176.084 -150.587 -135.842 105.992 109.163 108.196 -191.301 PRESSAVG: 3076600 -53.64 -49.3662 -47.6534 -49.3662 18.1437 2.1137 -47.6535 2.11371 -17.9453 GPRESSAVG: 3076600 -53.7439 -49.926 -46.6516 -50.4603 18.7105 0.606279 -49.0728 1.34867 -18.0845 TIMING: 3076600 CPU: 9189.13, 0.00303954/step Wall: 9189.13, 0.00303954/step, 1.62396 hours remaining, 205.941406 MB of memory in use. ENERGY: 3076600 761.4655 2112.8595 1932.5307 122.6051 -205780.3888 17660.6513 0.0000 0.0000 34297.3126 -148892.9640 299.5270 -183190.2766 -148798.2920 299.6544 -191.7383 -156.9546 560254.3124 -17.8139 -17.7060 PRESSURE: 3076800 -94.0972 84.126 48.8761 84.1273 81.3039 57.3766 48.8768 57.375 -52.8804 GPRESSURE: 3076800 -102.916 90.3749 57.846 77.9528 153.295 79.6249 51.1163 64.2172 -10.5618 PRESSAVG: 3076800 -12.5101 14.0146 6.13345 14.0146 18.0497 -19.5445 6.13332 -19.5445 37.5775 GPRESSAVG: 3076800 -13.7291 12.5071 6.54859 16.2367 18.6159 -20.2093 7.7778 -18.4405 39.4754 TIMING: 3076800 CPU: 9189.73, 0.00302572/step Wall: 9189.73, 0.00302572/step, 1.61641 hours remaining, 205.941406 MB of memory in use. ENERGY: 3076800 715.6969 2130.2834 1961.1515 111.2953 -206417.2282 17926.8291 0.0000 0.0000 34493.2505 -149078.7215 301.2381 -183571.9721 -148977.9536 299.9179 -21.8912 13.2725 558966.2980 14.3724 14.7874 PRESSURE: 3077000 -20.402 22.9588 -42.3773 22.9604 -34.1975 17.1937 -42.3779 17.1928 48.9589 GPRESSURE: 3077000 97.774 35.8768 -11.8144 31.4148 -38.4785 75.0803 12.2633 -20.7132 24.085 PRESSAVG: 3077000 3.61748 15.3457 15.7849 15.3458 -59.9046 -30.6976 15.785 -30.6976 29.2629 GPRESSAVG: 3077000 5.05343 14.3939 16.3792 15.4988 -59.9698 -29.6881 14.1477 -31.2503 27.4303 TIMING: 3077000 CPU: 9190.34, 0.00304722/step Wall: 9190.34, 0.00304722/step, 1.62773 hours remaining, 205.941406 MB of memory in use. ENERGY: 3077000 751.7802 2112.9063 1938.7484 110.6610 -206339.8827 17864.1560 0.0000 0.0000 34372.0322 -149189.5987 300.1795 -183561.6309 -149099.1499 299.4444 -1.8802 27.7935 558472.5036 -9.0081 -9.1620 PRESSURE: 3077200 -17.6734 190.442 36.1945 190.441 -215.913 -37.1704 36.1947 -37.1703 136.612 GPRESSURE: 3077200 48.33 139.352 79.3838 229.766 -131.813 -57.6782 23.0868 -37.2373 75.5541 PRESSAVG: 3077200 25.8863 32.3237 -17.0017 32.3237 -76.9536 -12.0085 -17.0017 -12.0085 43.5144 GPRESSAVG: 3077200 26.0622 35.2963 -16.8565 32.3116 -77.1414 -12.2454 -15.5317 -11.9386 43.6505 TIMING: 3077200 CPU: 9190.95, 0.0030238/step Wall: 9190.95, 0.0030238/step, 1.61504 hours remaining, 205.941406 MB of memory in use. ENERGY: 3077200 746.5728 2106.9523 1889.3818 120.2571 -206180.6847 17774.4553 0.0000 0.0000 34136.9413 -149406.1242 298.1264 -183543.0655 -149310.7148 298.7731 -32.3246 -2.6431 558900.0960 -2.5176 -2.4762 PRESSURE: 3077400 -39.8171 -21.494 42.2024 -21.4944 -50.685 -105.508 42.2033 -105.508 -157.129 GPRESSURE: 3077400 -102.573 -70.8169 55.1757 92.6581 50.5461 -62.3613 -11.7147 -107.07 -91.7222 PRESSAVG: 3077400 -37.709 26.5295 -14.5088 26.5295 -13.6079 -13.4316 -14.5087 -13.4316 34.229 GPRESSAVG: 3077400 -38.2874 25.9279 -14.6337 25.1096 -13.2455 -12.861 -15.4397 -14.6538 34.9397 TIMING: 3077400 CPU: 9191.56, 0.00306147/step Wall: 9191.56, 0.00306147/step, 1.635 hours remaining, 205.941406 MB of memory in use. ENERGY: 3077400 743.6202 2093.1669 1958.4812 111.8821 -206206.4422 17709.6377 0.0000 0.0000 34247.3188 -149342.3352 299.0904 -183589.6540 -149242.2041 298.8026 -82.5436 -47.9164 559682.1281 -5.6960 -5.5310 PRESSURE: 3077600 -254.968 72.6917 -180.866 72.6909 -147.045 92.3973 -180.867 92.3974 167.002 GPRESSURE: 3077600 -199.232 81.0534 -87.9695 25.041 -126.392 67.3704 -136.199 101.588 184.638 PRESSAVG: 3077600 -32.9288 7.14891 37.3618 7.14901 -39.7083 -4.96202 37.3618 -4.96214 57.3622 GPRESSAVG: 3077600 -32.5834 7.34012 37.8063 5.97621 -39.5573 -5.90911 37.528 -3.12004 56.5019 TIMING: 3077600 CPU: 9192.17, 0.0030354/step Wall: 9192.17, 0.0030354/step, 1.6209 hours remaining, 205.941406 MB of memory in use. ENERGY: 3077600 739.6181 2092.0606 1933.3463 128.1839 -206101.6369 17680.5028 0.0000 0.0000 34153.1474 -149374.7779 298.2679 -183527.9253 -149282.1252 299.0165 -78.3370 -46.9951 558292.7071 -5.0916 -5.2129 PRESSURE: 3077800 -201.445 -154.104 46.6402 -154.103 -55.7193 -10.6081 46.6396 -10.6069 -76.4086 GPRESSURE: 3077800 -132.033 -83.9981 -15.8559 -149.555 -79.3343 -25.149 26.7367 24.8656 -39.3421 PRESSAVG: 3077800 -105.228 -31.6688 57.0988 -31.6688 56.6872 36.4134 57.0988 36.4132 59.4565 GPRESSAVG: 3077800 -106.333 -31.1771 55.0427 -31.3025 55.3469 36.6734 55.8394 35.5916 61.7855 TIMING: 3077800 CPU: 9192.77, 0.00303451/step Wall: 9192.77, 0.00303451/step, 1.62026 hours remaining, 205.941406 MB of memory in use. ENERGY: 3077800 724.6532 2089.7150 1927.1876 108.7602 -205875.3682 17580.6474 0.0000 0.0000 34215.0089 -149229.3959 298.8082 -183444.4048 -149133.9378 299.3924 -111.1910 -83.5699 559269.7830 3.6386 3.5997 PRESSURE: 3078000 -149.812 -163.701 178.21 -163.703 -181.64 247.224 178.211 247.225 -31.8263 GPRESSURE: 3078000 -121.015 -219.14 116.725 -101.092 -120.261 286.704 145.406 206.388 -18.2972 PRESSAVG: 3078000 -8.82443 9.70869 27.824 9.70869 34.9528 17.4304 27.824 17.4305 3.00619 GPRESSAVG: 3078000 -8.06307 7.83384 27.8883 11.3669 36.4228 19.2502 30.302 17.7291 0.88573 TIMING: 3078000 CPU: 9193.37, 0.00300566/step Wall: 9193.37, 0.00300566/step, 1.60469 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: 3078000 742.2930 2096.1614 1930.0390 119.5561 -206201.3694 17770.3969 0.0000 0.0000 34281.9218 -149261.0013 299.3925 -183542.9230 -149170.0490 298.8446 -121.0929 -86.5243 559135.5998 9.7115 9.7485 PRESSURE: 3078200 184.504 93.7797 159.55 93.7799 74.7839 -63.2802 159.548 -63.2817 -71.7216 GPRESSURE: 3078200 238.496 164.757 158.864 80.0341 99.0752 -48.247 215.761 -52.2868 -51.4575 PRESSAVG: 3078200 -16.1173 -1.28229 12.2591 -1.28225 -21.4923 65.5591 12.2591 65.5592 55.5576 GPRESSAVG: 3078200 -15.6879 -0.433672 13.9166 -0.930495 -22.0062 65.8061 11.1696 64.0636 55.2239 TIMING: 3078200 CPU: 9193.98, 0.00302247/step Wall: 9193.98, 0.00302247/step, 1.61349 hours remaining, 205.941406 MB of memory in use. ENERGY: 3078200 764.4248 2041.0092 1933.9095 119.2610 -206376.8512 18016.9363 0.0000 0.0000 34226.8333 -149274.4771 298.9114 -183501.3104 -149175.5277 298.6883 62.5221 95.3713 558472.4354 5.9827 5.8433 PRESSURE: 3078400 -90.7763 146.969 15.6681 146.968 407.922 -150.504 15.6679 -150.504 157.98 GPRESSURE: 3078400 -98.3087 168.858 102.52 167.437 437.199 -181.536 -39.1301 -87.5985 226.306 PRESSAVG: 3078400 13.6146 16.5222 35.1394 16.5221 -34.5526 -44.1896 35.1395 -44.1895 -1.92257 GPRESSAVG: 3078400 13.6361 17.3388 35.0219 15.1793 -35.3848 -46.3608 34.4672 -43.1615 -1.14936 TIMING: 3078400 CPU: 9194.58, 0.00299237/step Wall: 9194.58, 0.00299237/step, 1.59726 hours remaining, 205.941406 MB of memory in use. ENERGY: 3078400 753.5561 2047.8184 1936.0833 113.0335 -206539.4352 18128.8079 0.0000 0.0000 34154.6924 -149405.4436 298.2814 -183560.1360 -149312.4415 298.8970 158.3753 188.3988 556367.5191 -7.6202 -7.6327 PRESSURE: 3078600 130.085 -31.392 -64.6648 -31.393 281.726 128.429 -64.6654 128.428 -102.392 GPRESSURE: 3078600 120.474 46.52 -99.6707 -56.0384 284.927 139.031 -65.5213 107.442 -6.75719 PRESSAVG: 3078600 -12.5235 20.4105 4.7822 20.4103 9.80068 -38.6058 4.78217 -38.6058 -17.6052 GPRESSAVG: 3078600 -13.2766 18.3238 2.57812 20.7222 9.67273 -37.5771 6.23454 -37.8058 -17.1322 TIMING: 3078600 CPU: 9195.18, 0.0029986/step Wall: 9195.18, 0.0029986/step, 1.60042 hours remaining, 205.941406 MB of memory in use. ENERGY: 3078600 773.3747 2079.6973 1925.7106 117.2122 -206361.2114 18056.4288 0.0000 0.0000 34147.7572 -149261.0306 298.2209 -183408.7879 -149167.4446 298.8789 103.1398 132.8811 557234.3303 -6.7760 -6.9120 PRESSURE: 3078800 101.846 127.462 -8.66554 127.462 -313.01 -63.1093 -8.66521 -63.1083 -17.1244 GPRESSURE: 3078800 119.772 196.323 0.812488 132.605 -348.824 -108.374 18.7504 3.83567 96.1785 PRESSAVG: 3078800 39.0614 11.774 -40.389 11.7741 22.7645 -31.417 -40.3891 -31.417 -14.5122 GPRESSAVG: 3078800 40.2213 12.1204 -37.7619 12.2827 22.6919 -33.1128 -40.3581 -31.698 -15.6959 TIMING: 3078800 CPU: 9195.78, 0.00300705/step Wall: 9195.78, 0.00300705/step, 1.60476 hours remaining, 205.941406 MB of memory in use. ENERGY: 3078800 753.8433 2085.6471 1934.1353 103.8199 -205871.7672 17689.3430 0.0000 0.0000 34217.9914 -149086.9873 298.8342 -183304.9787 -148990.7017 299.3076 -76.0963 -44.2910 557740.0906 15.7712 15.7391 PRESSURE: 3079000 30.0145 -186.998 24.401 -186.997 -50.1481 99.8442 24.4012 99.8431 146.112 GPRESSURE: 3079000 44.5587 -69.1751 -1.7029 -226.667 -31.4455 72.646 77.8069 107.623 217.3 PRESSAVG: 3079000 42.4519 -50.4216 -74.0013 -50.4216 -21.946 -15.5665 -74.0013 -15.5663 -41.7981 GPRESSAVG: 3079000 41.8479 -50.024 -75.3519 -50.8422 -21.1799 -13.6773 -73.8997 -16.0562 -41.8053 TIMING: 3079000 CPU: 9196.38, 0.00301225/step Wall: 9196.38, 0.00301225/step, 1.60737 hours remaining, 205.941406 MB of memory in use. ENERGY: 3079000 719.7077 2076.0771 1938.7429 119.7674 -206024.9179 17957.3382 0.0000 0.0000 34153.5380 -149059.7468 298.2713 -183213.2847 -148967.1829 299.5417 41.9928 76.8044 557374.8884 -7.0974 -7.0458 PRESSURE: 3079200 -169.503 -66.7592 -137.059 -66.7606 29.7038 -14.4994 -137.059 -14.5017 -253.675 GPRESSURE: 3079200 -116.366 -72.0991 -124.586 -133.034 31.3497 -24.8441 -211.976 17.2559 -206.169 PRESSAVG: 3079200 10.4144 -61.1648 24.2882 -61.1647 35.6164 20.8932 24.2883 20.8933 -36.4704 GPRESSAVG: 3079200 9.92041 -63.6338 24.7767 -60.0225 34.6545 21.0495 23.8476 22.3308 -34.2821 TIMING: 3079200 CPU: 9196.99, 0.00305818/step Wall: 9196.99, 0.00305818/step, 1.63171 hours remaining, 205.941406 MB of memory in use. ENERGY: 3079200 742.8936 2084.8718 1941.9359 130.7778 -205624.9990 17494.5153 0.0000 0.0000 34274.4218 -148955.5828 299.3271 -183230.0046 -148860.4004 299.5457 -131.1580 -97.0618 558215.2110 3.1868 3.4309 PRESSURE: 3079400 -245.605 65.9892 -64.7965 65.99 76.5149 -96.9561 -64.797 -96.956 -208.442 GPRESSURE: 3079400 -211.945 -29.795 -35.7037 49.2098 127.645 -36.7836 -56.6476 -169.697 -193.429 PRESSAVG: 3079400 35.3479 -37.9048 12.1006 -37.9049 60.2928 22.6031 12.1006 22.6032 -59.4178 GPRESSAVG: 3079400 35.6588 -35.0126 9.72468 -40.7758 61.7485 22.7085 15.5365 22.3152 -61.1117 TIMING: 3079400 CPU: 9197.6, 0.00305368/step Wall: 9197.6, 0.00305368/step, 1.62914 hours remaining, 205.941406 MB of memory in use. ENERGY: 3079400 785.1266 2140.9779 1924.6546 105.9587 -205850.1375 17620.9616 0.0000 0.0000 34295.7736 -148976.6845 299.5135 -183272.4581 -148882.5166 299.7427 -125.8439 -92.5766 557220.4109 12.0743 12.0985 PRESSURE: 3079600 -241.771 20.1812 -76.8291 20.1804 -133.052 -48.2089 -76.8279 -48.2093 77.8262 GPRESSURE: 3079600 -215.543 -14.6196 50.8765 2.48994 -76.4577 -77.2903 -83.643 -23.2166 99.0846 PRESSAVG: 3079600 -33.9687 57.5441 32.6027 57.5441 2.99011 4.44831 32.6027 4.44825 10.7446 GPRESSAVG: 3079600 -34.4162 57.5886 32.1836 58.3079 3.27158 3.00983 29.7306 5.43203 11.3718 TIMING: 3079600 CPU: 9198.21, 0.00304878/step Wall: 9198.21, 0.00304878/step, 1.62636 hours remaining, 205.941406 MB of memory in use. ENERGY: 3079600 746.1788 2025.6822 1923.0827 108.6681 -205826.3039 17568.6586 0.0000 0.0000 34294.3553 -149159.6782 299.5011 -183454.0335 -149061.5923 299.2501 -98.9988 -64.3054 557335.5822 -6.7447 -6.5909 PRESSURE: 3079800 -87.6041 164.228 31.4597 164.228 -13.8854 50.2865 31.459 50.2876 -96.7726 GPRESSURE: 3079800 -0.415397 207.121 50.367 193.603 24.7296 59.2821 48.2684 29.2587 -134.197 PRESSAVG: 3079800 -59.6845 -12.7438 11.2927 -12.7437 40.8812 -12.3571 11.2927 -12.3571 -3.38564 GPRESSAVG: 3079800 -59.0576 -15.3212 13.7499 -11.9566 40.4276 -11.6108 11.3207 -14.4178 -3.53281 TIMING: 3079800 CPU: 9198.83, 0.00306805/step Wall: 9198.83, 0.00306805/step, 1.63647 hours remaining, 205.941406 MB of memory in use. ENERGY: 3079800 785.0830 2050.5262 1945.0051 109.1228 -205523.9518 17616.7071 0.0000 0.0000 34046.1329 -148971.3748 297.3333 -183017.5077 -148872.3864 299.6011 -66.0873 -36.6276 557907.7027 -7.3963 -7.3876 PRESSURE: 3080000 -8.80892 10.8026 27.6483 10.8026 -51.0226 32.9433 27.6491 32.9436 148.89 GPRESSURE: 3080000 -16.1598 -87.2622 51.9861 115.593 -13.2811 25.0656 -18.7779 57.2356 206.312 PRESSAVG: 3080000 16.2409 13.7657 57.4743 13.7657 -6.85268 -20.2068 57.4742 -20.2069 10.1644 GPRESSAVG: 3080000 15.7468 14.3065 55.9633 12.7861 -5.88539 -21.1348 56.6388 -20.2979 10.1694 TIMING: 3080000 CPU: 9199.44, 0.00305721/step Wall: 9199.44, 0.00305721/step, 1.63051 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: 3080000 737.6367 2159.8629 1927.1594 137.7597 -206365.5020 17637.6598 0.0000 0.0000 34464.1620 -149301.2614 300.9841 -183765.4234 -149206.2726 299.5404 29.6863 58.9571 556708.0867 6.5175 6.6769 PRESSURE: 3080200 -178.436 -34.8262 -0.780726 -34.8273 -283.699 -35.5541 -0.780372 -35.5556 -45.9907 GPRESSURE: 3080200 -178.606 -28.5338 -35.9658 14.5751 -240.597 74.5365 -44.4341 -41.7961 -6.23561 PRESSAVG: 3080200 19.8051 11.8171 -18.4017 11.8171 -16.2702 51.5536 -18.4017 51.5537 -7.54959 GPRESSAVG: 3080200 21.0303 13.7853 -17.3716 10.3997 -16.2945 53.1164 -17.4302 50.7676 -8.53215 TIMING: 3080200 CPU: 9200.04, 0.0030213/step Wall: 9200.04, 0.0030213/step, 1.61119 hours remaining, 205.996094 MB of memory in use. ENERGY: 3080200 773.0747 2083.4770 1944.9828 118.2466 -205957.3174 17422.4555 0.0000 0.0000 34268.4059 -149346.6750 299.2745 -183615.0809 -149247.7618 299.3576 -169.3753 -141.8129 557623.6296 -1.3383 -1.2655 LDB: ============= START OF LOAD BALANCING ============== 9203.47 LDB: ============== END OF LOAD BALANCING =============== 9203.47 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9203.48 LDB: ============= START OF LOAD BALANCING ============== 9203.78 LDB: Largest compute 4820 load 0.030855 is 26.1% of average load 0.118080 LDB: Average compute 0.001749 is 1.5% of average load 0.118080 LDB: TIME 9203.79 LOAD: AVG 0.11808 MAX 0.206999 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.898 MB LDB: TIME 9203.79 LOAD: AVG 0.11808 MAX 0.206999 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.969 MB LDB: TIME 9203.79 LOAD: AVG 0.11808 MAX 0.206999 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9203.79 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9203.79 PRESSURE: 3080400 -0.226434 235.087 79.423 235.087 -178.359 -50.7616 79.4238 -50.763 2.95475 GPRESSURE: 3080400 4.86735 168.588 177.462 239.847 -137.015 -58.1234 -43.5358 -58.0738 54.2108 PRESSAVG: 3080400 30.6034 23.3624 19.8642 23.3625 -38.6423 9.28573 19.8643 9.28585 29.4639 GPRESSAVG: 3080400 30.1741 21.3094 21.5041 25.6756 -39.1147 8.79243 16.7264 10.354 30.5846 TIMING: 3080400 CPU: 9200.66, 0.00310892/step Wall: 9200.66, 0.00310892/step, 1.65775 hours remaining, 206.250000 MB of memory in use. ENERGY: 3080400 740.9995 2164.3710 1916.7320 107.1027 -206109.6361 17640.7760 0.0000 0.0000 34211.8467 -149327.8081 298.7806 -183539.6549 -149234.9473 298.9099 -58.5437 -25.9791 556267.7817 7.1417 7.2146 PRESSURE: 3080600 83.9505 10.3179 -60.9634 10.3179 -89.9769 -24.1816 -60.9639 -24.1804 -247.367 GPRESSURE: 3080600 128.755 28.8051 -95.6289 58.3951 -75.977 7.38823 -58.0325 -43.8518 -218.248 PRESSAVG: 3080600 -60.179 31.2719 -5.895 31.2718 42.6689 40.8839 -5.89512 40.8839 21.2573 GPRESSAVG: 3080600 -61.0463 30.8846 -6.49117 31.7266 42.9236 40.6417 -2.86777 39.507 21.7231 TIMING: 3080600 CPU: 9201.27, 0.00303995/step Wall: 9201.27, 0.00303995/step, 1.6208 hours remaining, 206.453125 MB of memory in use. ENERGY: 3080600 761.2493 2091.2317 1952.6950 130.0430 -206094.2916 17566.4579 0.0000 0.0000 34449.7613 -149142.8533 300.8583 -183592.6146 -149043.0672 299.2206 -84.4646 -55.1566 555631.7237 1.2491 1.2001 PRESSURE: 3080800 8.23989 28.6738 -182.932 28.6736 71.464 122.254 -182.932 122.256 155.897 GPRESSURE: 3080800 120.704 33.1915 -195.733 -55.0211 50.6899 112.165 -172.006 66.5867 162.964 PRESSAVG: 3080800 -15.1212 30.4665 -68.0946 30.4666 21.5321 59.8458 -68.0945 59.8458 -44.212 GPRESSAVG: 3080800 -13.3053 32.7443 -68.5836 28.8878 19.9348 58.2068 -69.9857 62.2862 -44.1634 TIMING: 3080800 CPU: 9201.88, 0.00304238/step Wall: 9201.88, 0.00304238/step, 1.62193 hours remaining, 206.453125 MB of memory in use. ENERGY: 3080800 727.5589 2177.1342 1922.3522 120.6666 -206069.0964 17851.0442 0.0000 0.0000 34230.2628 -149040.0776 298.9414 -183270.3404 -148942.7095 299.9931 78.5337 111.4525 557162.2227 -12.6004 -12.5113 PRESSURE: 3081000 -457.997 59.3272 -112.785 59.3278 -193.986 182.923 -112.786 182.924 -215.665 GPRESSURE: 3081000 -383.817 71.7659 -119.859 -40.7063 -148.985 256.789 -153.069 128.579 -221.771 PRESSAVG: 3081000 -1.59891 6.54079 -31.2336 6.54085 26.7661 76.4356 -31.2336 76.4357 -38.9452 GPRESSAVG: 3081000 -2.46778 4.35167 -31.8213 8.77371 28.4996 78.1882 -30.3089 75.2817 -39.5165 TIMING: 3081000 CPU: 9202.49, 0.00302742/step Wall: 9202.49, 0.00302742/step, 1.61378 hours remaining, 206.453125 MB of memory in use. ENERGY: 3081000 791.4809 2105.4523 1952.2817 105.0583 -206036.9278 17601.4517 0.0000 0.0000 34282.5083 -149198.6946 299.3977 -183481.2029 -149107.3461 300.3690 -289.2162 -251.5247 558523.1657 -4.5927 -4.4949 PRESSURE: 3081200 -30.1749 -78.6964 -118.416 -78.696 49.1575 229.634 -118.415 229.632 -310.186 GPRESSURE: 3081200 -24.5002 -33.2241 -42.3392 -81.7607 59.1384 159.494 -183.178 234.999 -225.057 PRESSAVG: 3081200 -57.9086 88.7653 -22.6663 88.7653 7.25042 63.4705 -22.6662 63.4704 31.8381 GPRESSAVG: 3081200 -58.5872 89.9548 -21.7484 88.1608 6.4397 64.3083 -23.6414 62.6802 33.569 TIMING: 3081200 CPU: 9203.09, 0.00301781/step Wall: 9203.09, 0.00301781/step, 1.6085 hours remaining, 206.453125 MB of memory in use. ENERGY: 3081200 784.4753 2058.6256 1946.3039 113.8907 -206241.2481 17813.4244 0.0000 0.0000 34189.5428 -149334.9853 298.5858 -183524.5281 -149237.1571 298.9498 -97.0678 -63.4729 557397.8712 -6.2734 -6.1928 PRESSURE: 3081400 244.366 167.313 -93.741 167.313 199.104 56.1921 -93.7427 56.193 92.0513 GPRESSURE: 3081400 326.108 247.313 -149.431 197.689 152.102 57.5449 -125.232 35.2664 140.922 PRESSAVG: 3081400 12.0754 50.8991 -21.372 50.8991 30.9509 -15.1091 -21.372 -15.1089 -13.4312 GPRESSAVG: 3081400 12.609 52.3717 -22.0579 49.4575 32.4092 -17.0226 -19.8901 -14.7155 -15.5667 TIMING: 3081400 CPU: 9203.7, 0.00304117/step Wall: 9203.7, 0.00304117/step, 1.62078 hours remaining, 206.453125 MB of memory in use. ENERGY: 3081400 754.8428 2058.8685 1969.1855 110.8216 -206793.1744 18290.6215 0.0000 0.0000 34413.7395 -149195.0951 300.5437 -183608.8346 -149099.4767 299.4546 178.5071 206.3775 556665.8967 9.8650 9.8172 PRESSURE: 3081600 137.349 6.88195 171.265 6.8814 145.192 -134.485 171.264 -134.484 -180.145 GPRESSURE: 3081600 149.648 -77.1319 149.086 -22.284 174.302 -100.774 104.423 -224.728 -121.11 PRESSAVG: 3081600 13.1058 12.4227 -77.5097 12.4228 59.4782 -14.9469 -77.5096 -14.9469 -52.2806 GPRESSAVG: 3081600 13.8037 10.7657 -75.6091 11.4209 58.9368 -15.9606 -80.1837 -14.5204 -51.9082 TIMING: 3081600 CPU: 9204.31, 0.0030656/step Wall: 9204.31, 0.0030656/step, 1.63362 hours remaining, 206.453125 MB of memory in use. ENERGY: 3081600 702.1092 2081.9031 1975.6089 109.9326 -206266.5997 17939.6476 0.0000 0.0000 34262.6098 -149194.7885 299.2239 -183457.3983 -149100.1509 299.8676 34.1321 67.6135 556816.8584 6.7678 6.9441 PRESSURE: 3081800 -155.865 43.1294 78.9797 43.1298 8.08751 -24.0695 78.9802 -24.0701 -191.325 GPRESSURE: 3081800 -127.763 -57.2545 49.5751 85.1644 -20.1686 48.394 51.3342 -166.679 -97.2384 PRESSAVG: 3081800 32.4728 27.7233 -16.7799 27.7233 31.9171 15.2709 -16.78 15.2708 -38.3798 GPRESSAVG: 3081800 32.2534 27.3119 -17.8105 29.435 32.6307 15.4582 -14.549 14.9857 -39.073 TIMING: 3081800 CPU: 9204.92, 0.00305359/step Wall: 9204.92, 0.00305359/step, 1.62705 hours remaining, 206.453125 MB of memory in use. ENERGY: 3081800 756.2377 2089.0579 1969.8377 136.4365 -206284.8404 17673.7947 0.0000 0.0000 34306.5183 -149352.9577 299.6074 -183659.4760 -149265.5627 299.2012 -113.0341 -81.7232 557298.3334 8.6700 8.6037 PRESSURE: 3082000 -102.693 -26.0808 -2.67254 -26.08 -248.992 -40.7892 -2.67283 -40.7899 -267.459 GPRESSURE: 3082000 -45.9437 -24.5179 -21.4412 -35.046 -241.136 -10.6984 14.7781 -40.0735 -228.409 PRESSAVG: 3082000 -0.458345 44.688 -18.5474 44.6881 -6.36666 73.4249 -18.5473 73.425 38.1076 GPRESSAVG: 3082000 -0.0594896 45.2985 -20.8982 43.9647 -8.5281 75.0999 -17.7326 73.5742 39.3782 TIMING: 3082000 CPU: 9205.53, 0.00305576/step Wall: 9205.53, 0.00305576/step, 1.62804 hours remaining, 206.453125 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: 3082000 749.7892 2080.5260 1951.1985 117.0636 -206367.7025 17768.7768 0.0000 0.0000 34184.5460 -149515.8024 298.5421 -183700.3484 -149419.6854 298.9261 -206.3813 -171.8294 558147.7159 10.4275 10.2635 PRESSURE: 3082200 -136.259 5.28146 -122.457 5.28296 -164.365 -199.022 -122.455 -199.023 119.852 GPRESSURE: 3082200 -86.1444 -43.4171 -99.469 -2.19304 -186.772 -156.858 -58.0118 -187.668 187.929 PRESSAVG: 3082200 17.6643 -29.3839 -7.16282 -29.3839 -60.1143 30.267 -7.16276 30.267 41.1231 GPRESSAVG: 3082200 16.0647 -29.1907 -5.61864 -29.7936 -58.5193 30.3006 -8.36809 31.786 41.1853 TIMING: 3082200 CPU: 9206.14, 0.00304993/step Wall: 9206.14, 0.00304993/step, 1.62477 hours remaining, 206.453125 MB of memory in use. ENERGY: 3082200 723.7273 2095.7233 1979.8257 116.7586 -206473.9273 17841.4785 0.0000 0.0000 34082.2473 -149634.1667 297.6487 -183716.4140 -149541.0533 298.7229 -60.2575 -28.3294 558252.9482 -0.4423 -0.4231 PRESSURE: 3082400 -38.5379 -90.8013 125.896 -90.8018 193.821 -137.707 125.897 -137.706 -170.34 GPRESSURE: 3082400 -97.6651 -72.7402 130.232 -82.4273 260.974 -54.8051 106.842 -147.458 -86.0261 PRESSAVG: 3082400 -16.0255 5.18439 -38.5088 5.18435 -42.0275 39.8572 -38.5089 39.8572 40.4969 GPRESSAVG: 3082400 -15.1834 4.39841 -37.7974 5.00051 -42.0739 39.8503 -37.8864 38.9299 39.1461 TIMING: 3082400 CPU: 9206.75, 0.00305663/step Wall: 9206.75, 0.00305663/step, 1.62817 hours remaining, 206.453125 MB of memory in use. ENERGY: 3082400 752.8446 2131.0423 1951.6548 116.0456 -206724.2396 17823.3150 0.0000 0.0000 34221.1341 -149728.2032 298.8617 -183949.3373 -149625.8263 297.7268 -5.0189 25.7610 558421.7496 -5.8520 -6.0371 PRESSURE: 3082600 168.092 169.531 -96.9329 169.53 204.566 126.646 -96.9327 126.646 -125.341 GPRESSURE: 3082600 206.103 89.0978 -39.6746 172.929 228.959 146.597 -135.503 134.251 -73.7765 PRESSAVG: 3082600 -17.2575 0.346636 -23.9257 0.346689 19.1898 30.4984 -23.9257 30.4984 -56.3046 GPRESSAVG: 3082600 -17.6777 1.44071 -24.7041 -0.149455 18.7068 31.3506 -24.961 30.9557 -55.7536 TIMING: 3082600 CPU: 9207.36, 0.00302461/step Wall: 9207.36, 0.00302461/step, 1.61094 hours remaining, 206.453125 MB of memory in use. ENERGY: 3082600 704.8025 2109.7196 1967.1988 108.4754 -206806.1666 18036.9615 0.0000 0.0000 34254.5723 -149624.4365 299.1537 -183879.0087 -149531.8262 298.2632 82.4389 120.4282 556047.5016 -18.1241 -18.2415 PRESSURE: 3082800 -186.401 56.6401 -96.5564 56.6407 -206.813 -44.1694 -96.5568 -44.1702 -30.129 GPRESSURE: 3082800 -121.807 -57.3553 -35.9625 85.2492 -177.496 -34.5383 -136.096 11.3983 -40.2257 PRESSAVG: 3082800 -18.0368 26.6411 -5.84526 26.6411 33.2465 31.1343 -5.84512 31.1344 -19.6591 GPRESSAVG: 3082800 -18.6443 26.8581 -5.90431 27.6471 33.2684 29.1621 -5.04948 31.4392 -19.3657 TIMING: 3082800 CPU: 9207.96, 0.00302315/step Wall: 9207.96, 0.00302315/step, 1.61 hours remaining, 206.453125 MB of memory in use. ENERGY: 3082800 775.3643 2124.2181 1947.8783 125.4642 -206490.2918 17721.8788 0.0000 0.0000 33973.7306 -149821.7575 296.7010 -183795.4881 -149722.4471 297.9861 -141.1142 -113.1764 556615.3253 -1.4831 -1.5806 PRESSURE: 3083000 93.3529 -54.4557 17.1007 -54.4557 226.401 94.7866 17.1021 94.7872 209.25 GPRESSURE: 3083000 62.0251 -116.91 12.8663 2.2922 250.722 90.2087 -2.14757 68.5792 312.246 PRESSAVG: 3083000 -60.3272 6.22559 -35.0027 6.22556 4.839 69.7932 -35.0027 69.7931 70.9342 GPRESSAVG: 3083000 -60.2734 4.43938 -32.2081 7.88062 4.66702 70.6739 -35.0195 69.5148 70.9215 TIMING: 3083000 CPU: 9208.56, 0.00300983/step Wall: 9208.56, 0.00300983/step, 1.60273 hours remaining, 206.453125 MB of memory in use. ENERGY: 3083000 682.5682 2125.3714 1978.9242 129.4675 -206579.8069 18067.4986 0.0000 0.0000 34001.5147 -149594.4622 296.9437 -183595.9769 -149498.4947 297.9541 176.3349 208.3310 555205.5600 5.1487 5.1050 PRESSURE: 3083200 -137.79 -21.5196 -187.339 -21.5201 -57.322 68.0205 -187.34 68.0194 -178.015 GPRESSURE: 3083200 -109.401 -84.7436 -219.555 -48.0871 -3.40424 77.7547 -73.4165 30.2381 -159.159 PRESSAVG: 3083200 -74.3019 34.7999 -17.2692 34.7998 22.1554 36.7297 -17.2692 36.7296 70.3511 GPRESSAVG: 3083200 -74.2645 35.1899 -19.0572 32.7252 20.9179 35.6525 -17.4977 37.4192 71.1493 TIMING: 3083200 CPU: 9209.17, 0.00301671/step Wall: 9209.17, 0.00301671/step, 1.60623 hours remaining, 206.453125 MB of memory in use. ENERGY: 3083200 760.5825 2085.8757 1960.0025 106.3959 -205892.9294 17565.1210 0.0000 0.0000 33933.4264 -149481.5255 296.3491 -183414.9518 -149383.5388 298.2860 -124.3758 -90.6546 557178.4849 6.0682 5.9342 PRESSURE: 3083400 -121.583 -16.7839 -81.0482 -16.7832 -164.918 26.6977 -81.0475 26.6982 -42.785 GPRESSURE: 3083400 -144.557 -105.496 -95.3182 39.7915 -96.0504 -67.9981 -57.3623 128.608 15.3581 PRESSAVG: 3083400 -66.4635 23.1668 -44.3522 23.1668 20.6284 -23.1727 -44.3521 -23.1725 20.7931 GPRESSAVG: 3083400 -66.5477 23.8836 -43.9362 25.3267 21.5924 -22.7913 -44.6491 -23.7605 19.926 TIMING: 3083400 CPU: 9209.77, 0.00301692/step Wall: 9209.77, 0.00301692/step, 1.60617 hours remaining, 206.453125 MB of memory in use. ENERGY: 3083400 724.0028 2073.7862 1949.7455 106.0299 -206014.3344 17522.3955 0.0000 0.0000 34187.0691 -149451.3055 298.5642 -183638.3746 -149360.7215 298.5990 -109.7621 -75.0830 556805.0324 -8.3473 -8.3431 PRESSURE: 3083600 -28.0927 -119.498 -88.8743 -119.497 8.67988 32.6143 -88.8746 32.614 -72.2477 GPRESSURE: 3083600 62.1672 -151.98 -120.479 -185.808 7.34745 32.6646 -110.61 33.1281 -68.4769 PRESSAVG: 3083600 -54.8864 -11.996 -72.1692 -11.996 19.3518 -30.9269 -72.1691 -30.927 -0.978783 GPRESSAVG: 3083600 -54.0339 -11.7068 -73.2915 -13.5838 18.7389 -30.3935 -70.4216 -31.0281 -1.21718 TIMING: 3083600 CPU: 9210.37, 0.00301556/step Wall: 9210.37, 0.00301556/step, 1.60528 hours remaining, 206.453125 MB of memory in use. ENERGY: 3083600 738.9668 2072.6588 1986.8858 119.5619 -206436.4362 17915.4754 0.0000 0.0000 34219.5327 -149383.3548 298.8477 -183602.8875 -149289.8338 298.1760 -30.5535 0.3459 557461.2625 -12.1711 -12.1707 PRESSURE: 3083800 -189.429 -52.9282 -80.6211 -52.9268 -379.979 -44.5406 -80.6199 -44.5401 -173.219 GPRESSURE: 3083800 -134.997 -23.3136 -189.163 -176.588 -313.583 -63.5897 -65.7946 -51.0154 -205.506 PRESSAVG: 3083800 -18.7476 -4.21224 -15.8743 -4.21229 -21.3209 -6.25043 -15.8743 -6.25045 54.8133 GPRESSAVG: 3083800 -19.5578 -3.41261 -15.7375 -4.3353 -20.7017 -5.03787 -16.0239 -5.2118 54.9444 TIMING: 3083800 CPU: 9210.98, 0.00302692/step Wall: 9210.98, 0.00302692/step, 1.61116 hours remaining, 206.453125 MB of memory in use. ENERGY: 3083800 755.9790 2116.0347 1967.4155 126.6440 -205974.0567 17469.8801 0.0000 0.0000 34287.6691 -149250.4345 299.4427 -183538.1036 -149156.5147 299.3520 -247.5423 -218.0287 558411.9927 4.9149 4.8950 PRESSURE: 3084000 275.525 120.736 26.535 120.737 -149.227 -17.422 26.5354 -17.4222 -301.005 GPRESSURE: 3084000 269.399 30.1356 42.0496 222.733 -107.463 35.3313 -63.6964 -102.933 -244.987 PRESSAVG: 3084000 28.0753 -18.0307 -20.8341 -18.0308 31.0757 -4.44884 -20.8341 -4.44889 -42.6622 GPRESSAVG: 3084000 27.2779 -19.3055 -20.5708 -17.4071 31.8252 -5.81413 -20.1996 -4.52622 -42.5971 TIMING: 3084000 CPU: 9211.58, 0.00302464/step Wall: 9211.58, 0.00302464/step, 1.60978 hours remaining, 206.453125 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: 3084000 738.5875 2059.9721 1970.2263 140.8953 -206159.9901 17735.8937 0.0000 0.0000 34387.9272 -149126.4880 300.3183 -183514.4152 -149019.3243 299.2850 -58.2356 -27.6840 556977.6797 5.4963 5.5020 PRESSURE: 3084200 -254.287 -41.971 56.768 -41.9701 107.85 -68.6232 56.7678 -68.623 -1.80477 GPRESSURE: 3084200 -264.538 -31.948 -3.18568 -16.6138 134.413 -75.715 42.8095 31.1688 74.5984 PRESSAVG: 3084200 -26.6247 -37.54 -8.81739 -37.54 24.634 48.6935 -8.81737 48.6936 -57.2806 GPRESSAVG: 3084200 -25.6507 -37.2058 -8.48817 -36.8495 24.4983 49.8307 -9.82886 46.1535 -57.3508 TIMING: 3084200 CPU: 9212.19, 0.00302316/step Wall: 9212.19, 0.00302316/step, 1.60883 hours remaining, 206.453125 MB of memory in use. ENERGY: 3084200 733.4302 2115.0903 1937.2927 127.0547 -205952.9993 17777.3392 0.0000 0.0000 34223.8655 -149038.9268 298.8855 -183262.7922 -148952.0003 299.6666 -49.4140 -18.5089 557477.6643 -19.7571 -19.5011 LDB: ============= START OF LOAD BALANCING ============== 9215.62 LDB: ============== END OF LOAD BALANCING =============== 9215.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9215.62 LDB: ============= START OF LOAD BALANCING ============== 9215.92 LDB: Largest compute 4820 load 0.030637 is 26.0% of average load 0.118022 LDB: Average compute 0.001738 is 1.5% of average load 0.118022 LDB: TIME 9215.92 LOAD: AVG 0.118022 MAX 0.205383 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 9215.93 LOAD: AVG 0.118022 MAX 0.205383 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.164 MB LDB: TIME 9215.93 LOAD: AVG 0.118022 MAX 0.205383 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.164 MB LDB: ============== END OF LOAD BALANCING =============== 9215.93 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9215.93 PRESSURE: 3084400 74.8056 -40.8508 105.62 -40.8504 -230.362 156.295 105.62 156.296 -211.667 GPRESSURE: 3084400 79.1332 -41.2679 110.307 -173.143 -159.828 113.96 105.134 150.969 -179.153 PRESSAVG: 3084400 10.8615 -12.6865 4.29683 -12.6865 33.1169 8.12617 4.29684 8.12617 -33.2183 GPRESSAVG: 3084400 10.1735 -12.5275 2.19244 -15.3128 33.016 6.40324 5.8611 9.12764 -33.2597 TIMING: 3084400 CPU: 9212.8, 0.00306519/step Wall: 9212.8, 0.00306519/step, 1.63102 hours remaining, 206.695312 MB of memory in use. ENERGY: 3084400 751.7249 2083.8095 1936.6732 114.2626 -206423.6927 17854.9753 0.0000 0.0000 34594.6130 -149087.6343 302.1234 -183682.2472 -148989.9987 299.5829 -122.4078 -86.6161 557233.7738 3.5867 3.3099 PRESSURE: 3084600 122.494 -151.995 33.3446 -151.996 51.7049 211.84 33.3452 211.839 -35.0602 GPRESSURE: 3084600 128.124 -129.138 74.836 -82.9622 71.15 236.784 20.8382 188.371 36.1534 PRESSAVG: 3084600 80.8094 -20.9633 28.8068 -20.9634 -29.9547 76.3349 28.8068 76.3348 16.0114 GPRESSAVG: 3084600 80.2161 -22.0261 32.534 -20.4823 -29.3801 76.4522 27.47 76.2329 15.4465 TIMING: 3084600 CPU: 9213.41, 0.00302247/step Wall: 9213.41, 0.00302247/step, 1.60812 hours remaining, 206.695312 MB of memory in use. ENERGY: 3084600 797.5942 2035.5109 1972.8368 117.5906 -206272.4358 17823.0878 0.0000 0.0000 34298.4529 -149227.3624 299.5369 -183525.8153 -149137.9153 299.6931 46.3796 78.4758 556071.8326 22.2887 22.0942 PRESSURE: 3084800 83.4535 -1.3185 -88.5783 -1.31922 -169.357 22.2928 -88.5776 22.2921 -447.122 GPRESSURE: 3084800 103.534 -5.77287 -74.1285 -25.4282 -148.857 -37.4566 -134.394 16.4487 -373.962 PRESSAVG: 3084800 -10.1985 -11.9399 4.90912 -11.9401 -7.07638 53.8483 4.90921 53.8484 3.86858 GPRESSAVG: 3084800 -9.80524 -9.58813 3.69203 -12.8725 -7.37399 54.6006 5.71013 53.647 3.50833 TIMING: 3084800 CPU: 9214.01, 0.0030154/step Wall: 9214.01, 0.0030154/step, 1.60419 hours remaining, 206.695312 MB of memory in use. ENERGY: 3084800 782.9445 2074.6140 1940.9376 122.5666 -206034.0247 17542.7372 0.0000 0.0000 34091.4109 -149478.8138 297.7288 -183570.2247 -149383.8426 299.2066 -177.6750 -139.7618 557216.8009 -4.4688 -4.5570 PRESSURE: 3085000 -164.883 -158.52 -128.091 -158.518 196.642 146.111 -128.09 146.112 -65.0941 GPRESSURE: 3085000 -173.994 -111.335 -63.7301 -174.925 230.906 149.83 -175.004 227.825 2.66048 PRESSAVG: 3085000 -3.39592 6.36498 -40.7716 6.36499 -72.3196 -6.62327 -40.7716 -6.62324 52.1118 GPRESSAVG: 3085000 -3.83881 4.20347 -39.6398 8.31273 -72.3125 -6.46239 -42.6346 -5.81124 52.7648 TIMING: 3085000 CPU: 9214.62, 0.00303322/step Wall: 9214.62, 0.00303322/step, 1.6135 hours remaining, 206.695312 MB of memory in use. ENERGY: 3085000 742.7189 2112.0517 1935.4539 132.7105 -206499.2089 17854.1363 0.0000 0.0000 34124.7600 -149597.3775 298.0200 -183722.1375 -149503.3520 298.4619 -11.1115 19.8577 556915.0184 -7.8679 -7.7955 PRESSURE: 3085200 -47.8626 7.60086 64.0182 7.60204 91.0146 -99.2333 64.0186 -99.2337 174.814 GPRESSURE: 3085200 -5.13724 0.997176 107.809 97.6126 117.29 43.7862 83.3365 -93.8819 211.118 PRESSAVG: 3085200 -75.1645 16.6927 -28.9633 16.6927 42.158 -59.8893 -28.9631 -59.8893 25.2417 GPRESSAVG: 3085200 -74.1892 16.8292 -30.8039 17.2628 42.7654 -61.1412 -28.6703 -60.7042 23.9771 TIMING: 3085200 CPU: 9215.22, 0.00301857/step Wall: 9215.22, 0.00301857/step, 1.60555 hours remaining, 206.695312 MB of memory in use. ENERGY: 3085200 743.8592 2073.1670 1941.0085 113.1561 -206459.4253 17942.2495 0.0000 0.0000 33972.8250 -149673.1598 296.6931 -183645.9848 -149575.0077 298.4481 72.6552 107.7569 557648.4001 -2.5883 -2.4822 PRESSURE: 3085400 -221.399 -49.2464 12.539 -49.2473 158.348 -123.395 12.5382 -123.396 10.636 GPRESSURE: 3085400 -158.156 -1.58499 -54.0954 52.6456 151.44 -141.485 49.9547 -150.795 57.5894 PRESSAVG: 3085400 -20.4176 7.90737 23.4826 7.90736 66.7294 -1.92687 23.4826 -1.92687 -44.3701 GPRESSAVG: 3085400 -20.6351 7.9508 24.9608 5.92909 64.9278 -1.2463 22.3279 -2.35116 -42.5577 TIMING: 3085400 CPU: 9215.83, 0.00302501/step Wall: 9215.83, 0.00302501/step, 1.6088 hours remaining, 206.695312 MB of memory in use. ENERGY: 3085400 703.3065 2097.5412 1932.1340 110.0644 -206520.8484 17946.2083 0.0000 0.0000 34107.4007 -149624.1933 297.8684 -183731.5940 -149518.9140 298.1111 -17.4716 16.9575 556483.3702 0.6472 0.5783 PRESSURE: 3085600 -135.79 27.123 -44.0674 27.1232 -210.281 66.4149 -44.0674 66.4149 108.123 GPRESSURE: 3085600 -149.606 101.374 -7.64301 36.0725 -178.868 81.646 -94.3077 79.0071 175.264 PRESSAVG: 3085600 -119.196 -22.2601 30.1561 -22.2601 112.748 -45.0368 30.1562 -45.0367 8.71755 GPRESSAVG: 3085600 -118.746 -21.3866 30.5471 -21.9591 112.213 -44.8512 31.056 -44.5397 8.45544 TIMING: 3085600 CPU: 9216.43, 0.00301727/step Wall: 9216.43, 0.00301727/step, 1.60452 hours remaining, 206.695312 MB of memory in use. ENERGY: 3085600 740.0982 2042.3886 1968.6337 100.8364 -206706.1484 17775.7576 0.0000 0.0000 34366.4368 -149711.9971 300.1306 -184078.4339 -149612.5430 298.5523 -79.3161 -51.0698 556855.4501 0.7565 0.6407 PRESSURE: 3085800 -246.031 9.89004 21.8789 9.8895 -51.5184 82.3826 21.8802 82.3825 -93.8108 GPRESSURE: 3085800 -152.029 15.3963 94.397 60.5291 -108.728 71.0832 -8.39737 85.792 -35.5827 PRESSAVG: 3085800 -34.5431 15.7018 14.7037 15.7017 28.7326 -22.7532 14.7038 -22.7533 7.44654 GPRESSAVG: 3085800 -34.8125 15.1616 15.5302 15.7633 28.5437 -20.8842 14.5836 -23.5699 7.9607 TIMING: 3085800 CPU: 9217.03, 0.00302301/step Wall: 9217.03, 0.00302301/step, 1.6074 hours remaining, 206.695312 MB of memory in use. ENERGY: 3085800 754.3381 2046.8978 1923.3881 113.9701 -206327.1259 17870.2303 0.0000 0.0000 33946.7493 -149671.5522 296.4654 -183618.3015 -149571.9990 298.0159 -130.4533 -98.7797 559137.5538 0.5453 0.5640 PRESSURE: 3086000 234.744 80.1665 -81.2821 80.1667 -154.492 -186.058 -81.2822 -186.059 13.6261 GPRESSURE: 3086000 226.438 109.133 -8.10076 49.5084 -129.458 -146.232 -122.964 -44.3238 81.374 PRESSAVG: 3086000 2.60401 13.412 70.4741 13.412 4.74731 3.62771 70.4742 3.62768 18.1918 GPRESSAVG: 3086000 3.06327 13.9039 68.8514 13.5728 4.7549 1.89299 70.4431 4.87632 17.3122 TIMING: 3086000 CPU: 9217.64, 0.00302342/step Wall: 9217.64, 0.00302342/step, 1.60745 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: 3086000 736.4987 2169.1556 1946.2554 109.2955 -206546.2759 17829.5365 0.0000 0.0000 34194.4617 -149561.0724 298.6287 -183755.5341 -149471.2489 297.9926 31.2926 59.4515 557521.9421 8.5144 8.3768 PRESSURE: 3086200 21.7421 -39.2509 28.5786 -39.2505 240.535 -33.6164 28.5788 -33.6168 109.704 GPRESSURE: 3086200 86.5707 -90.1349 18.955 22.5535 230.267 -30.8653 66.169 8.56057 156.649 PRESSAVG: 3086200 -43.7983 12.4141 47.0565 12.4141 21.297 13.4943 47.0564 13.4943 -42.8779 GPRESSAVG: 3086200 -43.9761 10.8595 46.547 12.7159 21.7588 12.7222 47.765 14.0504 -43.1356 TIMING: 3086200 CPU: 9218.25, 0.00303999/step Wall: 9218.25, 0.00303999/step, 1.61609 hours remaining, 206.695312 MB of memory in use. ENERGY: 3086200 742.2564 2044.0667 1968.9343 117.7604 -206668.1325 18121.0112 0.0000 0.0000 34176.2498 -149497.8538 298.4697 -183674.1035 -149409.6556 297.9449 123.9936 157.8289 555205.1609 -21.7931 -21.7843 PRESSURE: 3086400 91.8947 -41.9405 20.8664 -41.9409 -83.7701 -176.368 20.866 -176.368 198.499 GPRESSURE: 3086400 128.721 -50.194 10.3105 51.5649 -15.5136 -211.189 -6.78211 -56.5 200.168 PRESSAVG: 3086400 -22.2222 15.5539 37.993 15.5538 14.9845 -52.8037 37.9931 -52.8037 -3.95642 GPRESSAVG: 3086400 -21.5137 19.8074 37.8056 13.2717 14.6481 -49.3728 38.2473 -55.5705 -4.39767 TIMING: 3086400 CPU: 9218.85, 0.00302074/step Wall: 9218.85, 0.00302074/step, 1.60569 hours remaining, 206.695312 MB of memory in use. ENERGY: 3086400 818.2362 2078.8362 1944.6700 98.7339 -206775.3924 18077.9295 0.0000 0.0000 34370.0798 -149386.9068 300.1625 -183756.9866 -149283.4183 299.5825 68.8747 104.4586 554639.0164 -3.7314 -3.7544 PRESSURE: 3086600 115.531 -24.3285 -36.2651 -24.3284 -248.352 -84.8604 -36.2636 -84.8605 -252.701 GPRESSURE: 3086600 28.4404 -49.526 -52.3577 -50.9394 -181.126 -64.151 -81.5824 -121.592 -152.647 PRESSAVG: 3086600 27.4546 12.7954 38.9991 12.7954 -23.3041 9.10207 38.9991 9.102 7.51771 GPRESSAVG: 3086600 26.5643 9.65941 38.5415 14.8837 -23.5793 6.3526 39.353 9.69142 8.89972 TIMING: 3086600 CPU: 9219.46, 0.00303699/step Wall: 9219.46, 0.00303699/step, 1.61416 hours remaining, 206.695312 MB of memory in use. ENERGY: 3086600 777.0414 2054.5685 1943.8638 112.8546 -206284.4489 17661.0930 0.0000 0.0000 34266.6510 -149468.3766 299.2592 -183735.0276 -149368.9548 298.7356 -128.5074 -101.7776 556143.4924 3.8894 3.9616 PRESSURE: 3086800 19.5271 14.4269 -58.8183 14.4259 -121.033 0.175251 -58.8172 0.174773 -171.512 GPRESSURE: 3086800 45.814 100.132 -55.2567 -92.8509 -145.654 63.617 7.39075 26.2995 -77.0452 PRESSAVG: 3086800 18.0706 -22.885 25.3539 -22.8849 -42.3822 -67.2635 25.3539 -67.2634 39.9856 GPRESSAVG: 3086800 19.293 -24.5143 24.0748 -21.3975 -42.2996 -68.3585 26.5441 -65.6485 38.7691 TIMING: 3086800 CPU: 9220.07, 0.00305412/step Wall: 9220.07, 0.00305412/step, 1.62309 hours remaining, 206.695312 MB of memory in use. ENERGY: 3086800 754.0473 2045.1224 1945.3249 105.0022 -206329.6673 17616.6980 0.0000 0.0000 34338.4290 -149525.0436 299.8860 -183863.4726 -149430.0690 298.7821 -91.0061 -58.9618 556042.3868 5.2247 5.2542 PRESSURE: 3087000 75.0214 -0.915721 54.2654 -0.913138 136.901 -124.517 54.2653 -124.518 238.44 GPRESSURE: 3087000 93.9393 -67.9167 144.511 12.5755 234.375 -117.991 -55.0472 -98.07 232.454 PRESSAVG: 3087000 29.3241 -2.17129 8.03668 -2.17132 -38.9125 -7.68208 8.03666 -7.68207 -6.7299 GPRESSAVG: 3087000 28.5332 -1.40351 10.0927 -3.26512 -38.3315 -6.28017 7.75016 -7.47829 -6.64429 TIMING: 3087000 CPU: 9220.68, 0.0030416/step Wall: 9220.68, 0.0030416/step, 1.61627 hours remaining, 206.695312 MB of memory in use. ENERGY: 3087000 757.9083 2060.9292 1962.1965 109.8456 -206692.6325 18181.1958 0.0000 0.0000 34049.1086 -149571.4485 297.3593 -183620.5571 -149480.8516 298.5948 150.1208 186.9227 556391.1360 -5.4394 -5.4809 PRESSURE: 3087200 -108.303 94.5154 -119.068 94.5161 -15.4037 83.0903 -119.069 83.0904 135.268 GPRESSURE: 3087200 -59.8156 -13.2659 -105.635 122.462 11.6366 158.312 -66.8966 84.0564 165.304 PRESSAVG: 3087200 -27.1295 10.3516 8.51412 10.3516 -26.3903 65.5979 8.51422 65.598 65.4471 GPRESSAVG: 3087200 -26.6497 11.6939 8.26357 8.22601 -27.5928 66.3632 8.33282 65.8473 66.605 TIMING: 3087200 CPU: 9221.28, 0.00301606/step Wall: 9221.28, 0.00301606/step, 1.60254 hours remaining, 206.695312 MB of memory in use. ENERGY: 3087200 719.0634 2094.4247 1927.7325 112.7022 -206499.2540 17865.5523 0.0000 0.0000 34269.5032 -149510.2758 299.2841 -183779.7790 -149412.5829 299.1788 3.8539 39.0417 557546.2528 3.9758 4.1209 PRESSURE: 3087400 311.61 12.4601 -33.3538 12.4594 107.407 -232.965 -33.3538 -232.965 -0.512723 GPRESSURE: 3087400 372.114 58.6894 -70.3616 17.6197 173.108 -199.217 -34.7438 -267.327 -40.4316 PRESSAVG: 3087400 1.21647 -20.7075 36.3268 -20.7075 -30.1247 -15.6737 36.3267 -15.6736 37.6388 GPRESSAVG: 3087400 0.36433 -22.7455 36.023 -20.0963 -28.644 -15.9494 34.9896 -15.5824 37.401 TIMING: 3087400 CPU: 9221.89, 0.00302623/step Wall: 9221.89, 0.00302623/step, 1.60777 hours remaining, 206.695312 MB of memory in use. ENERGY: 3087400 760.9935 2122.3017 1958.7054 122.3028 -206665.9693 18075.5796 0.0000 0.0000 34174.7016 -149451.3847 298.4562 -183626.0863 -149358.1222 298.8487 139.5014 168.2636 557690.4470 2.9102 3.0405 PRESSURE: 3087600 220.825 -7.67162 -145.219 -7.67117 43.813 -91.0886 -145.219 -91.0886 -137.043 GPRESSURE: 3087600 225.079 -16.1188 -262.944 -8.97929 60.0992 -96.1913 20.3374 -129.362 -66.4404 PRESSAVG: 3087600 28.3508 -6.16365 17.3793 -6.16366 -40.2068 -46.4756 17.3792 -46.4755 37.0712 GPRESSAVG: 3087600 29.2931 -4.26489 17.4286 -5.13471 -40.7434 -44.0549 18.6387 -50.3637 36.8092 TIMING: 3087600 CPU: 9222.49, 0.0030176/step Wall: 9222.49, 0.0030176/step, 1.60302 hours remaining, 206.695312 MB of memory in use. ENERGY: 3087600 744.9557 2106.0061 1925.6296 114.8762 -206341.7644 17953.0441 0.0000 0.0000 34038.2330 -149459.0197 297.2644 -183497.2527 -149366.5247 297.8945 42.5315 72.9127 558633.3079 8.4051 8.4530 PRESSURE: 3087800 -87.7507 85.3927 -116.743 85.3928 240.061 21.6044 -116.743 21.6042 -324.659 GPRESSURE: 3087800 -111.591 -29.6201 -83.9025 144.139 296.583 -11.9421 -84.1213 -19.1563 -261.076 PRESSAVG: 3087800 45.1037 -2.40496 -41.0107 -2.40499 0.713598 -23.0078 -41.0108 -23.0077 -42.8873 GPRESSAVG: 3087800 45.8264 -2.45656 -38.6433 -3.7924 1.50216 -25.0655 -41.3355 -20.099 -43.7609 TIMING: 3087800 CPU: 9223.09, 0.00299848/step Wall: 9223.09, 0.00299848/step, 1.59269 hours remaining, 206.695312 MB of memory in use. ENERGY: 3087800 742.9635 2103.9396 1946.8773 115.6894 -206013.9293 17742.9177 0.0000 0.0000 33942.1360 -149419.4058 296.4251 -183361.5418 -149324.9575 298.4116 -57.4497 -25.3614 559002.9766 0.9767 1.1893 PRESSURE: 3088000 235.306 -143.043 113.257 -143.042 391.351 -51.5358 113.257 -51.5355 289.146 GPRESSURE: 3088000 325.22 -143.227 72.5826 -167.4 379.049 -79.8686 161.994 -77.5164 324.205 PRESSAVG: 3088000 22.8176 -16.4243 16.7436 -16.4244 -9.02939 10.6603 16.7435 10.6603 69.2372 GPRESSAVG: 3088000 23.119 -18.0056 14.1758 -16.4567 -9.07 11.0497 16.2061 10.1259 68.7542 TIMING: 3088000 CPU: 9223.69, 0.0030198/step Wall: 9223.69, 0.0030198/step, 1.60385 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: 3088000 722.3822 2072.4302 1946.2905 127.5296 -206542.4396 18222.9692 0.0000 0.0000 34184.3190 -149266.5189 298.5402 -183450.8379 -149170.0166 298.8698 305.2676 342.8245 555977.8815 27.6751 27.6011 PRESSURE: 3088200 -95.5773 -8.00049 72.6005 -8.00134 87.8493 -44.2691 72.6005 -44.2693 -176.598 GPRESSURE: 3088200 -21.9025 -23.1521 61.4185 -8.04408 111.118 -46.2173 61.6661 -85.2804 -179.093 PRESSAVG: 3088200 -10.9069 22.8309 -1.84148 22.8309 2.70619 -25.6516 -1.84151 -25.6515 5.79927 GPRESSAVG: 3088200 -12.0164 24.1846 0.170153 23.7299 2.31593 -24.2259 -2.55347 -25.8837 6.98199 TIMING: 3088200 CPU: 9224.29, 0.00299761/step Wall: 9224.29, 0.00299761/step, 1.5919 hours remaining, 206.695312 MB of memory in use. ENERGY: 3088200 734.5637 2072.4245 1942.8746 98.4728 -206342.5525 17877.1307 0.0000 0.0000 34332.2111 -149284.8751 299.8317 -183617.0862 -149184.8334 298.7650 -61.4419 -29.9592 557443.3842 -0.8005 -0.9062 LDB: ============= START OF LOAD BALANCING ============== 9227.72 LDB: ============== END OF LOAD BALANCING =============== 9227.72 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9227.72 LDB: ============= START OF LOAD BALANCING ============== 9228.02 LDB: Largest compute 4820 load 0.029719 is 25.2% of average load 0.117954 LDB: Average compute 0.001742 is 1.5% of average load 0.117954 LDB: TIME 9228.03 LOAD: AVG 0.117954 MAX 0.20423 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.211 MB LDB: TIME 9228.03 LOAD: AVG 0.117954 MAX 0.20423 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.211 MB LDB: TIME 9228.03 LOAD: AVG 0.117954 MAX 0.20423 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.211 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9228.03 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9228.03 PRESSURE: 3088400 -136.738 88.9506 0.0378692 88.9507 -8.64882 -65.8552 0.0375212 -65.8545 -286.718 GPRESSURE: 3088400 -127.258 115.76 48.081 115.86 14.0555 -12.3235 3.84435 -136.215 -219.426 PRESSAVG: 3088400 -28.7038 21.0687 2.39601 21.0688 51.3344 -10.8593 2.39602 -10.8594 5.13515 GPRESSAVG: 3088400 -30.381 19.8767 2.51749 21.5739 51.5549 -11.1712 4.51759 -11.3695 6.34617 TIMING: 3088400 CPU: 9224.9, 0.00306066/step Wall: 9224.9, 0.00306066/step, 1.62521 hours remaining, 205.722656 MB of memory in use. ENERGY: 3088400 706.7626 2124.6066 1969.6051 108.0318 -206079.3662 17665.5439 0.0000 0.0000 34195.3497 -149309.4665 298.6365 -183504.8162 -149219.6999 298.4498 -144.0351 -110.8760 558054.3350 9.2553 9.1733 PRESSURE: 3088600 -48.3299 103.221 -125.942 103.219 -291.933 -22.7934 -125.942 -22.7912 -8.42212 GPRESSURE: 3088600 35.6734 46.2469 -129.84 78.6259 -280.717 -0.939464 -149.793 11.9302 7.57004 PRESSAVG: 3088600 -27.5323 53.7945 28.2929 53.7945 -13.2922 -76.4868 28.2929 -76.4867 38.5328 GPRESSAVG: 3088600 -26.4405 53.8318 26.6135 54.3848 -12.1835 -76.4377 27.6659 -77.3789 36.8892 TIMING: 3088600 CPU: 9225.51, 0.00302911/step Wall: 9225.51, 0.00302911/step, 1.60829 hours remaining, 205.722656 MB of memory in use. ENERGY: 3088600 769.1378 2063.7655 1967.3981 128.2046 -206183.8322 17769.9966 0.0000 0.0000 34216.0588 -149269.2708 298.8174 -183485.3296 -149173.7333 299.0013 -116.2283 -79.1578 557879.2590 -0.7639 -0.5782 PRESSURE: 3088800 149.431 0.490508 -83.8531 0.48982 27.4139 -137.051 -83.8536 -137.051 21.9408 GPRESSURE: 3088800 167.287 34.2107 -76.3565 -75.3403 66.9054 -193.867 -86.3521 -153.076 58.8275 PRESSAVG: 3088800 -38.1875 67.1222 28.846 67.1223 -12.7476 -73.5376 28.8459 -73.5377 30.4255 GPRESSAVG: 3088800 -38.1523 68.1496 32.2203 65.6795 -12.8239 -73.0237 27.1419 -71.3471 30.696 TIMING: 3088800 CPU: 9226.12, 0.0030331/step Wall: 9226.12, 0.0030331/step, 1.61024 hours remaining, 205.722656 MB of memory in use. ENERGY: 3088800 745.7802 2033.1444 1959.5533 125.4597 -206592.6079 18026.2521 0.0000 0.0000 34326.0165 -149376.4018 299.7776 -183702.4182 -149274.6877 299.3283 66.2619 97.6733 557782.8581 -6.8365 -6.7601 PRESSURE: 3089000 104.227 58.3198 268.261 58.3184 239.45 -160.832 268.26 -160.831 183.403 GPRESSURE: 3089000 208.144 101.35 211.545 20.5155 251.002 -176.863 337.429 -162.483 164.72 PRESSAVG: 3089000 -63.8096 -9.12265 32.9915 -9.12258 14.6364 -13.2681 32.9916 -13.2679 25.991 GPRESSAVG: 3089000 -63.9838 -10.7422 29.9237 -7.08779 14.7513 -13.4489 35.5959 -14.2346 26.3138 TIMING: 3089000 CPU: 9226.72, 0.0030259/step Wall: 9226.72, 0.0030259/step, 1.60625 hours remaining, 205.722656 MB of memory in use. ENERGY: 3089000 727.7380 2091.9292 1987.7410 115.8968 -206620.3717 18079.7952 0.0000 0.0000 34157.6726 -149459.5990 298.3075 -183617.2716 -149363.0150 298.9086 175.6932 207.9553 556832.3959 -7.7274 -7.6395 PRESSURE: 3089200 -23.724 31.2185 -4.70679 31.2178 -45.7836 -20.2081 -4.70798 -20.2086 -84.1768 GPRESSURE: 3089200 -22.4341 63.0172 22.8166 -0.192294 45.8455 4.62726 66.7482 -40.6269 -86.9824 PRESSAVG: 3089200 -7.58553 1.41739 45.3687 1.41738 7.17311 -55.4665 45.3686 -55.4665 20.1116 GPRESSAVG: 3089200 -8.22958 1.01049 47.0335 -0.270351 6.45831 -56.2303 41.7484 -53.7697 21.1923 TIMING: 3089200 CPU: 9227.33, 0.00306305/step Wall: 9227.33, 0.00306305/step, 1.6258 hours remaining, 205.722656 MB of memory in use. ENERGY: 3089200 747.8839 2093.5567 1911.3169 107.8183 -206354.4353 17727.7327 0.0000 0.0000 34342.7681 -149423.3586 299.9239 -183766.1268 -149323.9423 299.1744 -51.2281 -21.1903 557164.4253 6.5664 6.4737 PRESSURE: 3089400 -123.709 95.1818 22.7768 95.1828 -219.19 -11.9377 22.7762 -11.9378 -23.2882 GPRESSURE: 3089400 -66.871 142.364 -11.2933 110.142 -198.382 -71.9703 82.4072 13.8578 0.0502683 PRESSAVG: 3089400 -37.0467 1.0017 -0.797709 1.00164 3.8888 -15.5695 -0.797701 -15.5695 57.1188 GPRESSAVG: 3089400 -36.742 3.56216 -0.880522 0.834139 3.59133 -17.652 1.04176 -15.3029 56.6105 TIMING: 3089400 CPU: 9227.94, 0.00303738/step Wall: 9227.94, 0.00303738/step, 1.612 hours remaining, 205.722656 MB of memory in use. ENERGY: 3089400 768.9716 2067.9830 1930.2412 110.0581 -206046.0895 17671.9276 0.0000 0.0000 34330.5658 -149166.3422 299.8174 -183496.9081 -149071.8992 299.4900 -122.0624 -88.4010 557459.1495 7.9870 7.8199 PRESSURE: 3089600 -99.6114 -139.548 -89.1241 -139.547 -99.2097 -82.1835 -89.1247 -82.1828 -213.919 GPRESSURE: 3089600 -54.488 -77.3967 -87.9458 -185.222 -38.006 -73.6442 -83.0125 -87.0625 -222.497 PRESSAVG: 3089600 14.8865 29.4726 -7.66304 29.4726 21.9781 -1.31626 -7.66309 -1.31637 21.7258 GPRESSAVG: 3089600 14.5754 28.7821 -9.82337 27.4438 21.219 0.966083 -6.28991 -3.15682 22.1893 TIMING: 3089600 CPU: 9228.55, 0.00302631/step Wall: 9228.55, 0.00302631/step, 1.60596 hours remaining, 205.722656 MB of memory in use. ENERGY: 3089600 730.1798 2096.4589 1942.3032 122.6436 -205722.1913 17488.3158 0.0000 0.0000 34243.6976 -149098.5924 299.0587 -183342.2900 -149007.4976 299.3926 -137.5801 -104.9971 557316.7319 19.5301 19.3279 PRESSURE: 3089800 22.3512 9.0211 148.685 9.02118 13.8799 41.537 148.686 41.5354 -152.427 GPRESSURE: 3089800 66.0418 -69.5852 110.878 21.469 -15.0699 49.7304 130.6 45.5801 -77.0112 PRESSAVG: 3089800 -24.7222 -52.5653 23.6359 -52.5653 75.2685 -28.7306 23.6359 -28.7306 -57.7556 GPRESSAVG: 3089800 -24.476 -53.6882 25.223 -50.9882 75.9671 -29.2279 21.1937 -28.2476 -58.7195 TIMING: 3089800 CPU: 9229.15, 0.00300467/step Wall: 9229.15, 0.00300467/step, 1.59431 hours remaining, 205.722656 MB of memory in use. ENERGY: 3089800 732.5383 2051.2255 1939.7959 108.8913 -205641.8197 17599.8256 0.0000 0.0000 34204.4872 -149005.0558 298.7163 -183209.5430 -148909.0089 299.8697 -38.7318 -8.6798 557658.7063 -2.4031 -2.4095 PRESSURE: 3090000 246.582 -69.1734 -53.582 -69.1733 53.9055 -40.3997 -53.582 -40.4009 30.8484 GPRESSURE: 3090000 201.227 -77.05 -81.5337 -17.8544 106.113 -131.813 -52.0717 -84.9639 117.587 PRESSAVG: 3090000 5.12189 -8.42048 17.3932 -8.42054 -8.41876 -4.97961 17.3932 -4.97951 -1.12317 GPRESSAVG: 3090000 4.14633 -9.22826 19.3915 -6.28373 -8.43973 -2.89199 16.9796 -5.99429 -0.224131 TIMING: 3090000 CPU: 9229.75, 0.00301559/step Wall: 9229.75, 0.00301559/step, 1.59994 hours remaining, 205.722656 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: 3090000 767.8570 2055.7623 1944.3554 109.5748 -206645.0587 18098.0239 0.0000 0.0000 34599.3804 -149070.1050 302.1650 -183669.4853 -148972.3829 300.1587 110.4454 141.6426 555817.0920 -1.4733 -1.5058 PRESSURE: 3090200 -13.939 308.701 99.2568 308.7 -69.2924 22.7838 99.2578 22.7842 130.63 GPRESSURE: 3090200 18.3114 443.233 68.2807 291.551 26.2743 -2.19673 147.313 3.81396 122.822 PRESSAVG: 3090200 -30.7345 -66.0018 56.6761 -66.0018 44.9714 -10.0719 56.6761 -10.0719 -38.3493 GPRESSAVG: 3090200 -29.4946 -64.2768 54.5638 -68.9187 44.7529 -12.9599 59.0214 -8.97733 -38.7472 TIMING: 3090200 CPU: 9230.35, 0.00301732/step Wall: 9230.35, 0.00301732/step, 1.60069 hours remaining, 205.722656 MB of memory in use. ENERGY: 3090200 754.8503 2050.1996 1953.5036 109.9927 -206342.2943 17976.4951 0.0000 0.0000 34235.8687 -149261.3842 298.9904 -183497.2529 -149167.0436 299.3769 15.7996 55.8025 556700.2054 -8.0375 -7.8296 PRESSURE: 3090400 -86.302 57.9521 17.025 57.9507 -467.605 -36.1955 17.0258 -36.1963 -270.675 GPRESSURE: 3090400 -3.86394 -4.5779 97.4765 140.538 -482.49 -16.8506 1.90449 14.1732 -244.516 PRESSAVG: 3090400 2.7398 -11.3383 25.3451 -11.3383 -7.09566 -5.64919 25.345 -5.64925 7.11367 GPRESSAVG: 3090400 2.89475 -13.7017 28.0677 -8.61482 -6.23205 -3.99088 23.0984 -8.35485 6.06719 TIMING: 3090400 CPU: 9230.96, 0.00301005/step Wall: 9230.96, 0.00301005/step, 1.59666 hours remaining, 205.777344 MB of memory in use. ENERGY: 3090400 748.0133 2028.4678 1948.2787 111.4453 -205896.0680 17457.4750 0.0000 0.0000 34357.9271 -149244.4609 300.0563 -183602.3880 -149149.1452 299.2076 -274.8606 -243.6232 558254.0149 0.9193 0.9100 PRESSURE: 3090600 -99.9102 -26.475 -53.1668 -26.4749 -209.575 59.7737 -53.1668 59.7729 203.872 GPRESSURE: 3090600 -66.907 -4.01861 13.1907 -11.5449 -210.094 28.8506 -79.5517 15.8027 275.351 PRESSAVG: 3090600 -49.2812 -2.69211 -56.8905 -2.69206 -9.65967 -0.865357 -56.8904 -0.865314 102.65 GPRESSAVG: 3090600 -50.3872 -1.03967 -57.6087 -4.74458 -10.2588 -1.47668 -56.4869 2.02815 103.667 TIMING: 3090600 CPU: 9231.56, 0.00300651/step Wall: 9231.56, 0.00300651/step, 1.59462 hours remaining, 205.777344 MB of memory in use. ENERGY: 3090600 760.7633 2042.4332 1942.6614 112.8061 -206349.8343 17767.7801 0.0000 0.0000 34270.1355 -149453.2547 299.2896 -183723.3902 -149366.7690 298.9402 -35.2042 -0.5499 556486.1812 14.5696 14.3404 PRESSURE: 3090800 -16.2247 -53.9999 231.463 -53.9995 -6.01407 -160.08 231.462 -160.08 -171.227 GPRESSURE: 3090800 -4.56316 34.7047 152.607 -77.7231 56.1653 -52.1892 204.094 -211.966 -153.908 PRESSAVG: 3090800 -9.86307 40.6157 -12.1755 40.6157 -24.5633 -23.9382 -12.1754 -23.9382 41.709 GPRESSAVG: 3090800 -10.0409 40.2912 -12.3865 42.0166 -23.8218 -21.9107 -11.8457 -26.3068 41.4174 TIMING: 3090800 CPU: 9232.16, 0.0029949/step Wall: 9232.16, 0.0029949/step, 1.5883 hours remaining, 205.777344 MB of memory in use. ENERGY: 3090800 733.2870 2009.7012 1954.5440 102.1713 -205922.8485 17619.8282 0.0000 0.0000 34120.2993 -149383.0174 297.9811 -183503.3168 -149288.3126 299.9726 -64.4885 -34.1020 556959.7186 2.4275 2.5182 PRESSURE: 3091000 82.9714 -67.4405 176.718 -67.4413 171.609 -70.9469 176.719 -70.9454 90.5218 GPRESSURE: 3091000 86.7267 -103.842 194.393 23.1795 234.692 -35.1868 209.463 -118.719 120.133 PRESSAVG: 3091000 -36.3448 -8.67293 23.0395 -8.67292 29.4518 -19.0086 23.0395 -19.0086 14.237 GPRESSAVG: 3091000 -36.8071 -7.81032 21.1308 -9.54603 29.3788 -18.1409 23.8886 -18.7549 15.1367 TIMING: 3091000 CPU: 9232.77, 0.00304497/step Wall: 9232.77, 0.00304497/step, 1.61468 hours remaining, 205.777344 MB of memory in use. ENERGY: 3091000 768.7571 2085.4570 1951.4332 113.2595 -206151.8981 17845.7766 0.0000 0.0000 33982.6916 -149404.5230 296.7793 -183387.2146 -149315.6791 298.0652 115.0340 147.1838 555782.4888 2.4480 2.5695 PRESSURE: 3091200 -24.337 3.8366 76.7959 3.83721 -53.005 -3.46926 76.7963 -3.46936 -0.235807 GPRESSURE: 3091200 -6.17951 -60.6744 65.9275 69.3001 -31.6914 50.5236 41.6379 -166.917 42.9913 PRESSAVG: 3091200 -17.4535 -37.6591 41.378 -37.659 -6.47876 -1.66981 41.3781 -1.66992 72.896 GPRESSAVG: 3091200 -17.3816 -36.5745 42.6189 -38.4826 -7.0971 -2.91804 42.3473 -1.01901 73.4124 TIMING: 3091200 CPU: 9233.37, 0.00300085/step Wall: 9233.37, 0.00300085/step, 1.59112 hours remaining, 205.777344 MB of memory in use. ENERGY: 3091200 736.9943 2073.3269 1922.7104 125.6280 -206133.2011 17630.5030 0.0000 0.0000 34305.4399 -149338.5986 299.5979 -183644.0385 -149246.2663 298.7355 -25.8593 1.7068 557343.3973 16.3212 16.3112 PRESSURE: 3091400 -206.564 -185.209 7.89989 -185.208 -6.07166 75.9955 7.89964 75.9951 -223.604 GPRESSURE: 3091400 -205.177 -163.557 -83.8997 -202.478 77.2153 -23.6686 42.3722 126.663 -205.175 PRESSAVG: 3091400 -41.8851 -30.3366 -4.96351 -30.3366 21.4782 38.3825 -4.96344 38.3826 12.2794 GPRESSAVG: 3091400 -40.6882 -33.3243 -5.84173 -27.8793 21.273 38.0044 -7.02033 39.2834 11.9241 TIMING: 3091400 CPU: 9233.96, 0.00299463/step Wall: 9233.96, 0.00299463/step, 1.58765 hours remaining, 205.777344 MB of memory in use. ENERGY: 3091400 743.6061 2058.5933 1931.8872 124.6754 -206360.8554 17779.9201 0.0000 0.0000 34158.1130 -149564.0602 298.3113 -183722.1732 -149475.5970 298.2757 -145.4134 -111.0457 557807.4112 -2.7092 -2.4971 PRESSURE: 3091600 227.914 -189.5 -25.6925 -189.5 -150.797 -70.5311 -25.6917 -70.5308 -5.18238 GPRESSURE: 3091600 240.463 -146.552 55.4101 -276.371 -79.1009 -98.7645 -37.3244 -39.7733 -7.36301 PRESSAVG: 3091600 19.2532 -53.5914 7.74856 -53.5914 17.2708 9.11557 7.74861 9.11549 -5.32113 GPRESSAVG: 3091600 17.8666 -51.6457 10.8308 -54.3247 18.8703 8.269 7.75226 7.24067 -5.90661 TIMING: 3091600 CPU: 9234.56, 0.00299526/step Wall: 9234.56, 0.00299526/step, 1.58782 hours remaining, 205.777344 MB of memory in use. ENERGY: 3091600 791.1271 2091.9734 1940.1835 110.5635 -206604.6378 17976.4062 0.0000 0.0000 34083.9549 -149610.4293 297.6637 -183694.3842 -149520.8144 298.0192 23.9783 51.3331 557875.5974 10.4010 10.2768 PRESSURE: 3091800 80.2257 128.586 -1.99011 128.587 36.2962 163.857 -1.99159 163.856 40.8028 GPRESSURE: 3091800 91.4167 41.5632 -44.5108 82.8257 138.959 92.5747 29.5829 181.34 14.2161 PRESSAVG: 3091800 15.0595 3.98641 25.6097 3.98655 -42.5248 -12.3534 25.6098 -12.3532 22.4529 GPRESSAVG: 3091800 15.5842 3.48006 24.801 5.16685 -42.5157 -12.6448 26.9984 -11.5252 22.1963 TIMING: 3091800 CPU: 9235.17, 0.00300586/step Wall: 9235.17, 0.00300586/step, 1.59327 hours remaining, 205.777344 MB of memory in use. ENERGY: 3091800 752.1970 2096.7737 1920.2068 100.9093 -206618.2895 18003.9855 0.0000 0.0000 34220.8232 -149523.3939 298.8590 -183744.2171 -149425.9768 297.7312 52.4416 81.5306 556641.7252 -1.6708 -1.5784 PRESSURE: 3092000 -269.378 17.9836 -15.3557 17.9831 -87.0251 -177.861 -15.3544 -177.86 -317.414 GPRESSURE: 3092000 -253.137 92.7736 -4.03034 -39.6784 -22.3346 -174.462 -44.5869 -193.984 -291.83 PRESSAVG: 3092000 1.41763 70.7689 -14.8477 70.769 -9.41201 25.6176 -14.8477 25.6175 -22.0684 GPRESSAVG: 3092000 1.39404 70.3982 -16.3173 68.7768 -9.92851 25.5118 -15.4389 25.2849 -21.4813 TIMING: 3092000 CPU: 9235.77, 0.00302265/step Wall: 9235.77, 0.00302265/step, 1.602 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: 3092000 716.5796 2077.7838 1955.5637 120.3412 -205680.1846 17418.8922 0.0000 0.0000 34046.3531 -149344.6711 297.3353 -183391.0241 -149258.0408 298.2040 -224.6058 -189.1003 558366.2607 -10.0209 -10.0052 PRESSURE: 3092200 -207.521 11.8156 26.9536 11.8148 192.277 92.7275 26.953 92.7276 -63.4656 GPRESSURE: 3092200 -166.391 9.02885 36.372 2.56307 200.839 75.9073 72.7452 69.2857 -20.2526 PRESSAVG: 3092200 -11.8411 27.6457 -2.37779 27.6457 31.5008 -20.6165 -2.37776 -20.6165 -4.09232 GPRESSAVG: 3092200 -11.9779 27.6636 -2.68309 28.369 31.7048 -19.9724 -2.80305 -20.9464 -3.40612 TIMING: 3092200 CPU: 9236.38, 0.00303464/step Wall: 9236.38, 0.00303464/step, 1.60819 hours remaining, 205.777344 MB of memory in use. ENERGY: 3092200 725.4267 2092.3903 1928.7055 119.0101 -206216.0612 17668.3525 0.0000 0.0000 34437.0985 -149245.0775 300.7477 -183682.1760 -149155.9171 298.9779 -26.2363 4.7318 557645.5690 5.1891 5.4403 LDB: ============= START OF LOAD BALANCING ============== 9239.81 LDB: ============== END OF LOAD BALANCING =============== 9239.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9239.82 LDB: ============= START OF LOAD BALANCING ============== 9240.12 LDB: Largest compute 4821 load 0.030011 is 25.4% of average load 0.117977 LDB: Average compute 0.001738 is 1.5% of average load 0.117977 LDB: TIME 9240.12 LOAD: AVG 0.117977 MAX 0.208369 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.652 MB LDB: TIME 9240.13 LOAD: AVG 0.117977 MAX 0.208369 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.652 MB LDB: TIME 9240.13 LOAD: AVG 0.117977 MAX 0.208369 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.652 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9240.13 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9240.13 PRESSURE: 3092400 -154.582 101.431 124.222 101.431 -122.77 70.3902 124.223 70.3895 91.1683 GPRESSURE: 3092400 -158.115 154.312 184.024 44.1806 -67.0954 166.171 128.666 17.0305 138.561 PRESSAVG: 3092400 9.85334 48.6147 10.3044 48.6147 13.0519 6.12594 10.3044 6.12593 19.7071 GPRESSAVG: 3092400 9.82399 50.0174 12.0684 50.3029 14.1424 6.59161 8.89393 6.37619 18.9726 TIMING: 3092400 CPU: 9237, 0.00312696/step Wall: 9237, 0.00312696/step, 1.65694 hours remaining, 205.140625 MB of memory in use. ENERGY: 3092400 777.4264 2040.6537 1910.7045 109.0873 -206060.8095 17586.7439 0.0000 0.0000 34361.3749 -149274.8187 300.0864 -183636.1936 -149178.0268 299.3992 -62.0611 -28.8833 556940.2787 14.2041 14.3130 PRESSURE: 3092600 -47.4937 -73.8399 51.8084 -73.8389 -67.8876 37.6081 51.8094 37.6089 -238.385 GPRESSURE: 3092600 40.8262 -84.7934 96.1134 -92.753 -36.9844 34.4246 -16.0415 -105.961 -254.676 PRESSAVG: 3092600 36.0576 32.146 1.79883 32.146 -54.9554 -47.1676 1.79882 -47.1674 -29.7069 GPRESSAVG: 3092600 35.889 31.816 -1.6276 29.7056 -55.2969 -48.9421 3.18542 -48.643 -29.2561 TIMING: 3092600 CPU: 9237.61, 0.0030423/step Wall: 9237.61, 0.0030423/step, 1.61191 hours remaining, 205.140625 MB of memory in use. ENERGY: 3092600 725.7533 2061.3216 1940.0396 107.9084 -206050.0372 17553.3319 0.0000 0.0000 34374.1197 -149287.5628 300.1977 -183661.6825 -149191.5841 299.4301 -117.9221 -83.6115 556857.7945 -16.2016 -16.2213 PRESSURE: 3092800 13.3108 -107.109 -171.907 -107.109 -113.461 -85.8267 -171.906 -85.8266 -124.388 GPRESSURE: 3092800 99.2873 -49.8697 -140.11 -161.115 -135.363 -77.6412 -169.51 -82.7541 -97.689 PRESSAVG: 3092800 114.891 6.80032 -65.3541 6.80036 -56.9269 -15.057 -65.3541 -15.0569 -81.0833 GPRESSAVG: 3092800 115.99 8.18164 -63.1801 5.45123 -58.1747 -13.8249 -64.7652 -14.7509 -81.3139 TIMING: 3092800 CPU: 9238.22, 0.00305712/step Wall: 9238.22, 0.00305712/step, 1.6196 hours remaining, 205.140625 MB of memory in use. ENERGY: 3092800 741.3396 2063.6048 1915.3539 103.7251 -206279.2885 17785.4668 0.0000 0.0000 34423.1682 -149246.6301 300.6261 -183669.7983 -149150.4450 298.8716 -74.8459 -44.5883 557021.9866 -7.7065 -7.8329 PRESSURE: 3093000 386.202 207.247 11.7208 207.247 -72.428 148.032 11.7214 148.032 78.0403 GPRESSURE: 3093000 378.195 199.474 26.1161 151.541 13.9551 176.251 52.0526 118.906 103.612 PRESSAVG: 3093000 76.5353 -30.5504 -16.1667 -30.5504 -13.8864 17.1347 -16.1668 17.1346 -30.4717 GPRESSAVG: 3093000 76.2798 -31.7223 -19.1826 -29.8189 -13.6065 16.0367 -14.8567 17.2743 -30.303 TIMING: 3093000 CPU: 9238.82, 0.00300834/step Wall: 9238.82, 0.00300834/step, 1.59358 hours remaining, 205.140625 MB of memory in use. ENERGY: 3093000 744.4855 2045.1382 1965.1296 111.3598 -206395.4113 18064.7324 0.0000 0.0000 34097.0769 -149367.4889 297.7783 -183464.5658 -149277.2501 299.2956 130.6047 165.2538 558542.9994 10.7257 10.7901 PRESSURE: 3093200 -346.651 -70.8548 -52.9879 -70.8552 -279.818 293.134 -52.9884 293.136 -329.921 GPRESSURE: 3093200 -351.077 -80.0002 -45.5997 -37.8914 -244.626 309.636 17.8083 255.16 -264.098 PRESSAVG: 3093200 -10.0718 4.19501 -7.78609 4.19498 4.86849 19.5816 -7.78608 19.5817 -0.0463238 GPRESSAVG: 3093200 -9.25166 2.76877 -6.15968 5.5922 4.53793 19.6784 -9.0824 20.7257 -0.432362 TIMING: 3093200 CPU: 9239.43, 0.00300946/step Wall: 9239.43, 0.00300946/step, 1.59401 hours remaining, 205.140625 MB of memory in use. ENERGY: 3093200 715.5003 2041.6300 1957.7553 122.4059 -206163.7884 17551.6822 0.0000 0.0000 34360.2883 -149414.5263 300.0769 -183774.8146 -149312.4920 299.0461 -318.7967 -286.6004 558524.6516 -1.7499 -1.7154 PRESSURE: 3093400 294.877 8.16536 -222.78 8.16445 -76.8825 130.252 -222.78 130.252 97.1474 GPRESSURE: 3093400 290.802 21.2931 -78.2615 49.6579 -33.4937 223.163 -305.864 35.0465 170.331 PRESSAVG: 3093400 29.3869 0.571132 28.5803 0.571216 3.8053 53.4693 28.5804 53.4693 -44.1649 GPRESSAVG: 3093400 30.3943 1.73281 29.3135 0.891172 2.90596 54.2687 28.3619 54.1833 -44.2756 TIMING: 3093400 CPU: 9240.03, 0.00304152/step Wall: 9240.03, 0.00304152/step, 1.61082 hours remaining, 205.140625 MB of memory in use. ENERGY: 3093400 761.2923 2085.0843 1948.8193 122.8179 -206246.7414 18037.0359 0.0000 0.0000 34048.3394 -149243.3523 297.3526 -183291.6917 -149146.7976 298.7960 105.0472 142.5464 558453.9214 -3.6575 -3.6585 PRESSURE: 3093600 -73.424 158.178 122.709 158.178 21.8361 109.079 122.708 109.077 29.6122 GPRESSURE: 3093600 -40.0534 181.477 119.258 102.622 3.46334 78.5814 64.1509 69.0299 123.411 PRESSAVG: 3093600 19.9953 12.3514 -6.94471 12.3515 -46.0723 25.6913 -6.94469 25.6914 44.9775 GPRESSAVG: 3093600 18.5091 12.4821 -6.18986 10.8742 -45.2458 25.3516 -7.91532 23.8146 45.6244 TIMING: 3093600 CPU: 9240.64, 0.00302182/step Wall: 9240.64, 0.00302182/step, 1.60022 hours remaining, 205.140625 MB of memory in use. ENERGY: 3093600 728.7675 2133.5357 1959.9908 99.5445 -206314.2840 18019.1459 0.0000 0.0000 34426.7344 -148946.5652 300.6572 -183373.2996 -148853.3506 299.3210 -7.3252 28.9402 559599.6815 6.3002 6.2959 PRESSURE: 3093800 -117.861 11.6492 -19.6641 11.6481 -38.7154 55.3474 -19.6645 55.3486 -138.16 GPRESSURE: 3093800 -117.715 6.79528 -52.7051 82.4007 65.3143 15.9115 39.043 67.0928 -144.51 PRESSAVG: 3093800 33.8523 -6.46854 -7.77197 -6.46855 -49.9013 5.74769 -7.77197 5.74773 26.0403 GPRESSAVG: 3093800 34.3996 -6.10587 -7.38097 -5.3751 -49.5144 6.77976 -7.91798 4.59795 25.0513 TIMING: 3093800 CPU: 9241.24, 0.0030106/step Wall: 9241.24, 0.0030106/step, 1.59411 hours remaining, 205.140625 MB of memory in use. ENERGY: 3093800 753.5124 2089.1315 1987.6612 112.1055 -206047.2610 17802.8065 0.0000 0.0000 34135.9668 -149166.0771 298.1179 -183302.0439 -149066.7129 299.3685 -98.2455 -65.6368 558700.6597 3.3304 3.3122 PRESSURE: 3094000 144.13 103.995 8.0835 103.995 -95.2128 -29.5144 8.08404 -29.5172 -203.967 GPRESSURE: 3094000 149.313 112.755 45.9726 79.8516 -25.7676 -2.77448 19.7572 42.8983 -186.403 PRESSAVG: 3094000 4.68738 21.2543 -55.032 21.2543 -27.2883 -12.4555 -55.032 -12.4556 28.5026 GPRESSAVG: 3094000 4.47647 21.0804 -56.5021 22.077 -26.966 -15.1177 -53.3572 -11.6427 28.6639 TIMING: 3094000 CPU: 9241.84, 0.00301796/step Wall: 9241.84, 0.00301796/step, 1.59784 hours remaining, 205.140625 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: 3094000 744.5103 2078.4333 1975.1925 122.0532 -206174.7278 17850.2589 0.0000 0.0000 34177.6714 -149226.6081 298.4821 -183404.2796 -149128.0726 298.9549 -51.6834 -20.9524 558132.2899 1.9672 2.0581 PRESSURE: 3094200 217.984 146.459 57.0369 146.459 -30.1156 -26.3793 57.0359 -26.3797 -348.691 GPRESSURE: 3094200 238.524 99.4579 79.6193 176.701 -14.7874 -35.527 -56.6653 -23.0738 -280.233 PRESSAVG: 3094200 53.099 -21.7959 33.9923 -21.7959 -13.3337 -31.0956 33.9923 -31.0959 -6.22354 GPRESSAVG: 3094200 54.4057 -23.3689 34.195 -23.2712 -15.0546 -29.9076 31.9505 -30.1375 -5.57404 TIMING: 3094200 CPU: 9242.45, 0.00304039/step Wall: 9242.45, 0.00304039/step, 1.60955 hours remaining, 205.140625 MB of memory in use. ENERGY: 3094200 751.1906 2087.5211 1941.7380 109.0547 -206101.3550 17802.7366 0.0000 0.0000 34176.7270 -149232.3869 298.4739 -183409.1139 -149134.2731 298.8855 -53.6076 -18.8324 558776.8607 11.1806 11.2590 PRESSURE: 3094400 234.226 140.234 23.7826 140.234 99.8119 156.387 23.7831 156.388 23.6247 GPRESSURE: 3094400 285.702 65.5679 -3.05536 134.588 147.397 174.635 42.4797 103.749 16.8032 PRESSAVG: 3094400 40.5182 9.7839 37.8559 9.78395 9.19548 -51.199 37.8559 -51.1991 -35.6467 GPRESSAVG: 3094400 39.2814 10.9237 36.3937 10.8833 10.9487 -51.9393 39.2748 -52.8704 -35.9932 TIMING: 3094400 CPU: 9243.06, 0.00303377/step Wall: 9243.06, 0.00303377/step, 1.60587 hours remaining, 205.140625 MB of memory in use. ENERGY: 3094400 739.4707 2053.2806 1926.3446 114.1953 -206322.6238 18041.2354 0.0000 0.0000 34293.8087 -149154.2886 299.4964 -183448.0973 -149052.8604 298.5057 119.2210 149.9674 557642.0952 4.6890 4.7456 PRESSURE: 3094600 123.447 91.3008 -86.7965 91.3015 -222.382 -10.5531 -86.7965 -10.5525 234.347 GPRESSURE: 3094600 188.221 101.952 -145.396 97.7827 -202.264 23.1274 -150.624 -46.2969 253.849 PRESSAVG: 3094600 44.9454 26.4491 2.02485 26.449 1.51001 11.6852 2.02492 11.6852 12.8286 GPRESSAVG: 3094600 44.3553 26.0145 2.7757 25.2541 1.89343 11.078 0.652521 13.7043 12.9588 TIMING: 3094600 CPU: 9243.66, 0.00301463/step Wall: 9243.66, 0.00301463/step, 1.59558 hours remaining, 205.140625 MB of memory in use. ENERGY: 3094600 726.6964 2078.9431 1954.1891 115.1980 -205939.5580 17822.5354 0.0000 0.0000 33949.6462 -149292.3499 296.4907 -183241.9960 -149201.0675 298.4755 45.1374 79.9350 558488.5868 19.7613 19.7359 PRESSURE: 3094800 40.4888 -52.8074 -38.9471 -52.8074 25.9193 25.2408 -38.9476 25.2407 13.8082 GPRESSURE: 3094800 22.5704 -26.5059 -75.49 -31.4865 82.8848 28.8156 11.663 72.1011 78.8059 PRESSAVG: 3094800 68.4104 43.2726 -10.6359 43.2726 1.52331 10.7351 -10.636 10.7351 -50.5764 GPRESSAVG: 3094800 68.6892 41.0201 -7.98289 43.8546 1.07966 13.7349 -11.4273 10.2501 -50.4479 TIMING: 3094800 CPU: 9244.26, 0.0030096/step Wall: 9244.26, 0.0030096/step, 1.59275 hours remaining, 205.140625 MB of memory in use. ENERGY: 3094800 792.3077 2066.4992 1931.0090 117.3050 -206199.8850 17875.0206 0.0000 0.0000 34334.1152 -149083.6284 299.8484 -183417.7436 -148986.1662 298.8311 26.7388 61.4203 556261.0174 6.4525 6.4403 PRESSURE: 3095000 -185.365 -4.59902 -2.46631 -4.59832 177.384 -164.384 -2.46708 -164.384 -37.062 GPRESSURE: 3095000 -134.666 16.81 -18.7862 -6.53087 189.511 -199.962 -55.4544 -149.33 1.27424 PRESSAVG: 3095000 0.768316 26.6116 -2.92796 26.6116 5.47502 -9.87829 -2.92804 -9.87834 -25.029 GPRESSAVG: 3095000 1.69456 30.4785 -4.86904 25.4613 3.55108 -11.9414 -2.63 -10.5223 -24.1739 TIMING: 3095000 CPU: 9244.86, 0.00300641/step Wall: 9244.86, 0.00300641/step, 1.59089 hours remaining, 205.140625 MB of memory in use. ENERGY: 3095000 701.7298 2062.5132 1947.4774 121.0800 -205609.0995 17629.1653 0.0000 0.0000 33986.9482 -149160.1857 296.8165 -183147.1339 -149069.8196 298.4866 -15.0144 18.7066 557950.2179 -6.2619 -6.3094 PRESSURE: 3095200 -126.289 -152.801 114.082 -152.801 -44.2727 87.5313 114.082 87.5302 -16.6126 GPRESSURE: 3095200 -94.5304 -121.619 -15.1626 -139.258 -0.561199 -17.9113 221.619 235.855 5.48644 PRESSAVG: 3095200 6.76303 -40.0044 18.5374 -40.0044 48.2461 -42.3045 18.5373 -42.3043 -49.5551 GPRESSAVG: 3095200 8.13044 -38.1527 20.4827 -39.0269 48.7154 -41.3807 20.4532 -41.9615 -51.5184 TIMING: 3095200 CPU: 9245.47, 0.00302891/step Wall: 9245.47, 0.00302891/step, 1.60263 hours remaining, 205.140625 MB of memory in use. ENERGY: 3095200 694.9035 2090.7743 1944.4447 112.6677 -205823.0927 17479.6246 0.0000 0.0000 34245.6369 -149255.0410 299.0757 -183500.6779 -149157.6386 298.1731 -62.3913 -29.8684 556199.6042 1.8180 1.7758 PRESSURE: 3095400 11.3613 90.4476 107.444 90.4488 -133.79 89.9702 107.443 89.9689 -151.36 GPRESSURE: 3095400 26.8333 119.999 102.712 49.2528 -115.372 102.51 93.1661 89.6832 -87.0586 PRESSAVG: 3095400 18.7798 -24.5643 -3.36955 -24.5644 16.0506 -1.86003 -3.36953 -1.86002 -32.1293 GPRESSAVG: 3095400 17.6182 -25.8182 -5.75463 -25.2226 16.6305 -2.21709 -3.33381 -1.58242 -31.4551 TIMING: 3095400 CPU: 9246.08, 0.0030282/step Wall: 9246.08, 0.0030282/step, 1.60209 hours remaining, 205.140625 MB of memory in use. ENERGY: 3095400 755.4823 2064.1889 1951.6163 114.4386 -206116.7924 17597.3321 0.0000 0.0000 34451.9348 -149181.7993 300.8773 -183633.7341 -149084.4346 298.5548 -91.2630 -58.5324 556457.5304 0.9003 0.9312 PRESSURE: 3095600 94.6579 -102.442 -63.9992 -102.443 99.9932 -103.705 -63.9994 -103.704 103.245 GPRESSURE: 3095600 154.446 -122.953 35.0849 -132.304 110.962 -94.5953 -185.346 -93.3545 133.703 PRESSAVG: 3095600 7.17497 -67.4882 25.2995 -67.4882 -23.7485 3.11016 25.2996 3.11017 -18.4145 GPRESSAVG: 3095600 7.09545 -69.1412 25.2547 -66.632 -23.7952 3.43174 24.9026 3.10614 -18.568 TIMING: 3095600 CPU: 9246.68, 0.0030384/step Wall: 9246.68, 0.0030384/step, 1.60732 hours remaining, 205.140625 MB of memory in use. ENERGY: 3095600 718.9367 2116.2702 1968.1828 106.9536 -206171.4536 17858.1080 0.0000 0.0000 34164.0297 -149238.9726 298.3630 -183403.0023 -149149.8787 299.2896 99.2986 133.0368 556518.1003 -11.6627 -11.7559 PRESSURE: 3095800 -128.837 78.257 48.8323 78.2562 -119.447 -17.4192 48.8327 -17.4191 -15.4651 GPRESSURE: 3095800 -112.287 67.6535 -28.7895 78.467 -87.1325 30.2689 44.5362 -34.3609 39.9518 PRESSAVG: 3095800 -14.936 -6.9712 23.9067 -6.97125 0.607964 26.441 23.9067 26.4411 -31.6069 GPRESSAVG: 3095800 -15.836 -6.48148 27.2678 -6.90322 0.890879 27.212 21.6972 25.6333 -30.8176 TIMING: 3095800 CPU: 9247.29, 0.00304466/step Wall: 9247.29, 0.00304466/step, 1.61046 hours remaining, 205.140625 MB of memory in use. ENERGY: 3095800 764.4622 2131.5100 1959.0839 125.7185 -205965.0261 17611.1064 0.0000 0.0000 34286.4931 -149086.6519 299.4325 -183373.1450 -148990.5178 299.6905 -87.9163 -53.1560 557875.4355 -15.3117 -15.2542 PRESSURE: 3096000 -6.77866 79.0197 36.5618 79.0206 -136.672 -104.234 36.5614 -104.235 132.148 GPRESSURE: 3096000 -8.66494 58.6552 44.3308 46.0647 -102.785 -186.437 19.0893 -37.8947 197.956 PRESSAVG: 3096000 5.10138 -5.4946 -17.5915 -5.49475 -32.5412 -25.1229 -17.5916 -25.1229 28.7644 GPRESSAVG: 3096000 7.34231 -3.93981 -20.599 -6.68416 -33.419 -27.0824 -16.2476 -23.3959 27.8491 TIMING: 3096000 CPU: 9247.9, 0.00304619/step Wall: 9247.9, 0.00304619/step, 1.6111 hours remaining, 205.140625 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: 3096000 724.0642 2085.9034 1951.8560 111.0258 -206022.4712 17759.0499 0.0000 0.0000 34426.9332 -148963.6389 300.6590 -183390.5721 -148872.7738 299.9214 -3.7677 28.8353 558671.3082 0.4415 0.5908 PRESSURE: 3096200 -26.909 132.702 -92.3056 132.702 -470.472 57.6248 -92.3047 57.6258 -85.0729 GPRESSURE: 3096200 12.6697 58.8561 -120.283 176.437 -476.859 38.5114 -164.794 156.302 -23.2044 PRESSAVG: 3096200 63.8158 5.25118 -26.0097 5.25123 -32.1069 -5.14693 -26.0097 -5.14685 1.14766 GPRESSAVG: 3096200 62.4945 2.64041 -25.2235 7.21643 -31.8278 -4.309 -25.5517 -6.58732 1.54957 TIMING: 3096200 CPU: 9248.51, 0.00301566/step Wall: 9248.51, 0.00301566/step, 1.59478 hours remaining, 205.140625 MB of memory in use. ENERGY: 3096200 747.4662 2081.2010 1974.9402 112.2064 -205683.3043 17543.4529 0.0000 0.0000 34199.2941 -149024.7435 298.6709 -183224.0376 -148926.6137 299.8399 -194.1512 -162.4645 557867.9274 10.9522 10.7387 LDB: ============= START OF LOAD BALANCING ============== 9251.93 LDB: ============== END OF LOAD BALANCING =============== 9251.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9251.94 LDB: ============= START OF LOAD BALANCING ============== 9252.23 LDB: Largest compute 4821 load 0.029207 is 24.7% of average load 0.118128 LDB: Average compute 0.001729 is 1.5% of average load 0.118128 LDB: TIME 9252.24 LOAD: AVG 0.118128 MAX 0.202682 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.422 MB LDB: TIME 9252.24 LOAD: AVG 0.118128 MAX 0.202682 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.555 MB LDB: TIME 9252.24 LOAD: AVG 0.118128 MAX 0.202682 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9252.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9252.24 PRESSURE: 3096400 -255.735 -43.0464 -152.362 -43.0452 200.847 -166.927 -152.363 -166.925 -52.1367 GPRESSURE: 3096400 -256.823 -49.1544 -54.2735 49.7888 221.331 -16.3541 -244.956 -213.985 39.3278 PRESSAVG: 3096400 20.4228 -10.1357 -26.2877 -10.1357 -16.7221 -16.5407 -26.2878 -16.5407 5.30239 GPRESSAVG: 3096400 20.0879 -9.27438 -27.4444 -11.42 -17.7516 -15.4008 -26.3076 -15.2745 6.65128 TIMING: 3096400 CPU: 9249.11, 0.00303753/step Wall: 9249.11, 0.00303753/step, 1.60618 hours remaining, 205.203125 MB of memory in use. ENERGY: 3096400 726.5616 2076.0097 1971.2599 112.3344 -206021.9182 17589.3032 0.0000 0.0000 34304.5081 -149241.9411 299.5898 -183546.4492 -149150.1631 299.2788 -35.6749 1.2787 557239.4558 3.0010 2.9959 PRESSURE: 3096600 -125.29 107.288 -23.6523 107.289 -116.866 94.0869 -23.6523 94.0881 132.04 GPRESSURE: 3096600 -117.701 -23.6968 28.9834 193.998 -57.9222 122.384 -95.4117 137.669 168.436 PRESSAVG: 3096600 24.7546 -25.4564 -2.08988 -25.4564 0.248005 -43.0005 -2.08997 -43.0004 -1.9944 GPRESSAVG: 3096600 26.1858 -26.3799 -1.07346 -25.1518 0.885128 -43.7574 -1.6192 -45.0548 -4.16579 TIMING: 3096600 CPU: 9249.71, 0.00297811/step Wall: 9249.71, 0.00297811/step, 1.57459 hours remaining, 205.203125 MB of memory in use. ENERGY: 3096600 728.3968 2058.9708 1947.4111 118.9315 -205883.9726 17575.1144 0.0000 0.0000 34328.2774 -149126.8705 299.7974 -183455.1479 -149034.3471 299.6533 -36.7055 -2.3956 557545.1598 7.6694 7.6350 PRESSURE: 3096800 -250.275 13.7937 94.0939 13.7942 -137.272 -22.846 94.0952 -22.8448 -160.268 GPRESSURE: 3096800 -202.03 47.9913 97.7022 1.99736 -92.7358 55.0133 34.8294 -17.6227 -155.939 PRESSAVG: 3096800 -24.0521 -14.2621 28.7348 -14.2621 13.8161 24.1524 28.7348 24.1523 17.3299 GPRESSAVG: 3096800 -25.8859 -12.9827 29.1309 -15.3024 14.6236 25.1555 28.694 23.948 18.9216 TIMING: 3096800 CPU: 9250.31, 0.00298899/step Wall: 9250.31, 0.00298899/step, 1.58018 hours remaining, 205.203125 MB of memory in use. ENERGY: 3096800 776.1338 2031.1450 1959.2943 121.3427 -205877.0262 17697.9740 0.0000 0.0000 34315.8526 -148975.2837 299.6889 -183291.1363 -148879.6914 299.4186 -182.6052 -150.2350 558865.8529 2.3646 2.5531 PRESSURE: 3097000 -91.7848 -12.8196 178.53 -12.8197 24.4323 78.127 178.53 78.1255 -131.493 GPRESSURE: 3097000 -49.2716 -87.0561 38.005 50.5541 13.0077 42.2642 190.854 104.506 -66.0656 PRESSAVG: 3097000 -68.5871 57.3313 25.4059 57.3314 95.5573 53.7297 25.406 53.7296 26.0669 GPRESSAVG: 3097000 -67.2481 53.6553 23.0458 59.0096 95.1172 52.9846 24.9289 53.9998 25.4985 TIMING: 3097000 CPU: 9250.91, 0.00301546/step Wall: 9250.91, 0.00301546/step, 1.59401 hours remaining, 205.203125 MB of memory in use. ENERGY: 3097000 757.5462 2058.4859 1961.6706 118.8128 -205716.2656 17618.0301 0.0000 0.0000 34356.5317 -148845.1883 300.0441 -183201.7200 -148742.8549 300.2116 -66.2817 -34.1099 558055.2969 17.6790 17.7892 PRESSURE: 3097200 83.1776 -22.8116 -42.6243 -22.8119 15.9168 -23.2137 -42.6231 -23.2139 -109.311 GPRESSURE: 3097200 90.8617 40.8485 -21.152 -101.284 64.0347 28.0167 -52.7522 -134.597 -63.4499 PRESSAVG: 3097200 -1.70681 66.0714 28.5972 66.0714 9.46846 -13.7806 28.5972 -13.7806 -25.1262 GPRESSAVG: 3097200 -1.30012 69.5504 32.1606 65.661 9.01156 -14.1988 27.7008 -12.5035 -25.2671 TIMING: 3097200 CPU: 9251.51, 0.00300245/step Wall: 9251.51, 0.00300245/step, 1.58696 hours remaining, 205.203125 MB of memory in use. ENERGY: 3097200 782.3693 2091.7816 1943.7092 115.3964 -205880.5821 17688.1621 0.0000 0.0000 34298.5984 -148960.5650 299.5382 -183259.1634 -148867.1415 299.7612 -3.4054 30.4822 558785.2078 -5.7882 -5.8519 PRESSURE: 3097400 29.3275 156.038 185.137 156.038 -272.601 -34.42 185.136 -34.4189 -21.053 GPRESSURE: 3097400 48.4539 97.5479 213.887 76.0405 -269.794 -70.417 178.159 29.3392 43.4529 PRESSAVG: 3097400 80.0245 48.338 -27.8559 48.3379 -92.582 -30.008 -27.8558 -30.0081 -51.2744 GPRESSAVG: 3097400 80.3683 47.7358 -30.4261 46.7273 -92.3685 -30.0446 -26.3031 -30.0491 -51.8327 TIMING: 3097400 CPU: 9252.11, 0.00300569/step Wall: 9252.11, 0.00300569/step, 1.58851 hours remaining, 205.203125 MB of memory in use. ENERGY: 3097400 792.6421 2083.4674 1933.0236 124.9396 -206076.9476 17761.8538 0.0000 0.0000 34450.2603 -148930.7608 300.8627 -183381.0211 -148828.2111 299.7755 -88.1088 -59.2958 560451.8803 -21.2773 -21.2776 PRESSURE: 3097600 173.253 -112.667 -23.4035 -112.667 44.138 -6.07948 -23.4049 -6.07889 34.6364 GPRESSURE: 3097600 248.975 -173.241 89.1688 -107.785 65.6964 37.8999 -107.882 -49.3304 36.5648 PRESSAVG: 3097600 35.8994 10.0985 31.0175 10.0985 -42.011 12.8891 31.0175 12.8891 0.151511 GPRESSAVG: 3097600 35.0603 8.82033 33.4466 12.7112 -41.5822 13.7715 29.7832 12.202 0.563261 TIMING: 3097600 CPU: 9252.71, 0.00301328/step Wall: 9252.71, 0.00301328/step, 1.59235 hours remaining, 205.203125 MB of memory in use. ENERGY: 3097600 788.6853 2047.3914 1944.9334 99.3051 -206218.7544 18015.2294 0.0000 0.0000 34518.1699 -148805.0401 301.4558 -183323.2100 -148708.4999 299.4245 84.0093 117.0788 558734.4325 -1.9867 -1.9862 PRESSURE: 3097800 114.261 -107.527 -70.4502 -107.526 -64.6487 -13.2339 -70.4509 -13.2324 -177.276 GPRESSURE: 3097800 48.0241 -130.669 -12.5285 -143.908 -25.509 -25.5668 -69.8369 -108.241 -75.3043 PRESSAVG: 3097800 5.47308 -52.2139 25.1929 -52.2138 -46.1814 16.8016 25.193 16.8017 9.88413 GPRESSAVG: 3097800 6.07405 -49.5554 26.0586 -56.019 -47.3722 16.7485 23.2111 15.345 10.2814 TIMING: 3097800 CPU: 9253.32, 0.00301629/step Wall: 9253.32, 0.00301629/step, 1.59377 hours remaining, 205.203125 MB of memory in use. ENERGY: 3097800 725.2631 2128.6330 1946.9240 122.0832 -205700.7619 17606.1261 0.0000 0.0000 34404.4768 -148767.2557 300.4629 -183171.7325 -148668.5926 300.5294 -42.5546 -17.5964 559679.2015 -10.2747 -10.3389 PRESSURE: 3098000 -36.5625 -128.794 22.9494 -128.794 -36.912 73.3527 22.9505 73.3536 19.3779 GPRESSURE: 3098000 53.7619 -101.43 -28.1371 -137.159 -37.3483 31.082 50.6421 116.651 34.8031 PRESSAVG: 3098000 13.8519 -77.7253 30.1983 -77.7254 24.8214 12.0753 30.1983 12.0753 -18.4978 GPRESSAVG: 3098000 12.4654 -78.1014 29.5774 -74.8203 25.78 12.0598 32.477 14.1514 -18.3832 TIMING: 3098000 CPU: 9253.92, 0.00300911/step Wall: 9253.92, 0.00300911/step, 1.58981 hours remaining, 205.203125 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: 3098000 773.4862 2088.3892 1948.5593 128.1403 -205868.0815 17891.6804 0.0000 0.0000 34179.8913 -148857.9347 298.5015 -183037.8260 -148761.8534 299.6717 -18.0322 17.0722 560189.2575 6.7252 6.6207 PRESSURE: 3098200 -1.35811 -83.896 -73.4463 -83.896 -10.5643 -83.2356 -73.4478 -83.2357 319.196 GPRESSURE: 3098200 30.8435 -1.706 -70.1193 -127.167 14.9573 -162.529 -69.3591 -70.9121 360.557 PRESSAVG: 3098200 23.7645 -28.867 -12.5292 -28.8669 -92.3539 -1.83148 -12.5291 -1.83141 93.7091 GPRESSAVG: 3098200 23.7103 -28.5072 -11.477 -31.355 -92.6705 -2.62728 -11.875 -1.12832 93.9689 TIMING: 3098200 CPU: 9254.52, 0.00300889/step Wall: 9254.52, 0.00300889/step, 1.58953 hours remaining, 205.324219 MB of memory in use. ENERGY: 3098200 789.1780 2075.7822 1965.1098 115.4160 -206209.9928 18060.6329 0.0000 0.0000 34388.7371 -148815.1368 300.3254 -183203.8739 -148718.4673 299.9187 102.4246 135.4527 560114.7012 8.3732 8.3362 PRESSURE: 3098400 127.137 -74.8014 251.068 -74.8018 5.89117 84.5176 251.067 84.5186 -305.422 GPRESSURE: 3098400 206.805 -85.471 254.464 -203.605 51.4435 102.834 239.796 57.9411 -339.263 PRESSAVG: 3098400 4.74727 24.5799 21.7684 24.5799 -65.61 -35.7066 21.7684 -35.7065 53.8257 GPRESSAVG: 3098400 4.75512 23.3614 21.3432 25.818 -65.6343 -34.7569 20.8234 -37.6687 53.6551 TIMING: 3098400 CPU: 9255.12, 0.00300833/step Wall: 9255.12, 0.00300833/step, 1.58907 hours remaining, 205.324219 MB of memory in use. ENERGY: 3098400 744.2866 2093.9817 1966.2804 127.6532 -205835.3588 17749.5020 0.0000 0.0000 34314.9166 -148838.7381 299.6807 -183153.6547 -148739.2052 300.1725 -57.4646 -27.0048 558386.2425 -2.3457 -2.4080 PRESSURE: 3098600 68.0615 -22.6852 44.2772 -22.6853 -152.424 168.928 44.2778 168.927 -400.189 GPRESSURE: 3098600 83.7224 -36.4339 32.321 56.2534 -108.393 178.103 -13.9662 146.251 -373.306 PRESSAVG: 3098600 64.0179 5.30931 -6.72017 5.30926 -29.5781 66.9059 -6.72013 66.9059 -11.5177 GPRESSAVG: 3098600 63.8704 5.21909 -8.13457 5.12861 -29.1507 66.9001 -5.90972 69.3405 -11.7004 TIMING: 3098600 CPU: 9255.73, 0.00304406/step Wall: 9255.73, 0.00304406/step, 1.60777 hours remaining, 205.324219 MB of memory in use. ENERGY: 3098600 733.3375 2122.9542 1961.8212 109.7218 -205529.0195 17317.4982 0.0000 0.0000 34312.8830 -148970.8037 299.6629 -183283.6867 -148872.4896 300.0555 -161.5172 -132.6587 556781.8758 7.6407 7.6731 PRESSURE: 3098800 -87.7661 95.9485 -29.6477 95.9497 -108.83 65.4686 -29.6485 65.4683 39.3136 GPRESSURE: 3098800 -46.0131 107.757 -30.5827 117.201 -36.7896 31.6025 6.87645 54.8232 17.3707 PRESSAVG: 3098800 20.023 -21.84 35.1558 -21.8399 -11.5726 65.0944 35.1558 65.0943 -6.97073 GPRESSAVG: 3098800 20.4004 -22.7743 35.4502 -21.6602 -12.3248 64.4358 33.434 62.9486 -5.96683 TIMING: 3098800 CPU: 9256.33, 0.0030117/step Wall: 9256.33, 0.0030117/step, 1.59051 hours remaining, 205.324219 MB of memory in use. ENERGY: 3098800 748.8789 2058.9631 1956.4854 119.2181 -205975.8723 17773.3519 0.0000 0.0000 34136.1087 -149182.8662 298.1191 -183318.9748 -149084.0429 299.1143 -52.4275 -21.8107 557156.2134 0.4932 0.7029 PRESSURE: 3099000 203.822 69.7221 -0.238842 69.7235 104.91 83.9057 -0.237668 83.9036 59.8816 GPRESSURE: 3099000 218.62 30.7254 -72.6836 114.361 144.821 84.6597 17.7038 36.1242 111.2 PRESSAVG: 3099000 11.7092 41.5647 6.19196 41.5647 -77.7755 50.95 6.19193 50.9499 24.1429 GPRESSAVG: 3099000 12.2157 44.1399 5.70261 39.0184 -77.2932 52.1712 7.99911 49.0719 23.4334 TIMING: 3099000 CPU: 9256.94, 0.00302755/step Wall: 9256.94, 0.00302755/step, 1.59871 hours remaining, 205.324219 MB of memory in use. ENERGY: 3099000 736.9933 2094.4480 1961.6297 120.5165 -206021.8489 18030.3716 0.0000 0.0000 34273.0022 -148804.8874 299.3147 -183077.8896 -148702.0040 299.1618 122.8712 158.2138 558053.0982 -13.9745 -13.8813 PRESSURE: 3099200 -83.5336 -2.31966 -68.22 -2.3184 -22.0864 115.787 -68.2201 115.788 -60.7143 GPRESSURE: 3099200 -70.1072 -47.2537 -89.7458 -25.0514 10.8056 74.2323 -95.5158 152.666 -12.068 PRESSAVG: 3099200 -10.8654 26.5711 -46.6052 26.571 25.0749 53.0954 -46.6052 53.0955 -16.2401 GPRESSAVG: 3099200 -11.5728 25.3355 -45.0356 29.3809 25.3639 51.8771 -48.4543 54.8253 -15.7774 TIMING: 3099200 CPU: 9257.54, 0.00300036/step Wall: 9257.54, 0.00300036/step, 1.58419 hours remaining, 205.324219 MB of memory in use. ENERGY: 3099200 769.5102 2097.2216 1953.5534 114.5345 -205570.5606 17701.5368 0.0000 0.0000 33998.3504 -148935.8535 296.9161 -182934.2039 -148837.2973 299.6434 -55.4447 -23.7898 559195.5737 -0.6769 -0.6621 PRESSURE: 3099400 106.885 -40.8602 79.0858 -40.8599 127.71 -74.1812 79.0848 -74.1819 -55.1685 GPRESSURE: 3099400 141.893 -71.1079 53.5726 6.09613 160.506 -93.4519 -19.4597 -60.1239 -16.9967 PRESSAVG: 3099400 3.57996 44.38 32.5439 44.38 20.5486 59.848 32.5439 59.848 -20.348 GPRESSAVG: 3099400 3.25806 44.1752 32.211 44.9722 21.4884 58.5602 31.6479 62.6288 -20.9933 TIMING: 3099400 CPU: 9258.14, 0.00301518/step Wall: 9258.14, 0.00301518/step, 1.59185 hours remaining, 205.324219 MB of memory in use. ENERGY: 3099400 719.7963 2140.8129 1951.0035 103.1789 -206255.2321 17920.1634 0.0000 0.0000 34525.8660 -148894.4110 301.5230 -183420.2770 -148801.8380 300.1604 59.8090 95.1342 556918.5656 1.2602 1.2510 PRESSURE: 3099600 -40.7216 -58.6818 67.7483 -58.6812 0.408358 150.569 67.7483 150.569 50.4963 GPRESSURE: 3099600 11.8171 -33.6101 84.6108 -29.0325 82.9293 152.698 86.0945 98.7154 15.2322 PRESSAVG: 3099600 18.0306 50.9177 51.6614 50.9177 -5.61628 -12.3052 51.6616 -12.3052 -50.3293 GPRESSAVG: 3099600 19.0077 52.8775 50.6748 49.8787 -6.88389 -10.7515 53.5011 -13.9781 -50.1565 TIMING: 3099600 CPU: 9258.75, 0.00301921/step Wall: 9258.75, 0.00301921/step, 1.59381 hours remaining, 205.324219 MB of memory in use. ENERGY: 3099600 785.1687 2056.4035 1924.3142 122.2272 -206299.3073 17922.1211 0.0000 0.0000 34431.8949 -149057.1778 300.7023 -183489.0726 -148956.7775 300.6384 3.3943 36.6596 557987.4562 -12.6383 -12.6776 PRESSURE: 3099800 8.70207 -198.694 195.799 -198.695 34.68 81.3479 195.798 81.3497 61.784 GPRESSURE: 3099800 53.8042 -168.049 246.397 -196.57 37.6842 57.1115 78.2279 115.915 112.196 PRESSAVG: 3099800 55.9379 15.788 59.6028 15.7881 -50.4208 4.05009 59.6028 4.0502 10.7849 GPRESSAVG: 3099800 54.8262 15.7874 59.1202 16.1907 -49.5968 4.67954 61.2846 3.81573 10.8527 TIMING: 3099800 CPU: 9259.35, 0.00301148/step Wall: 9259.35, 0.00301148/step, 1.58956 hours remaining, 205.324219 MB of memory in use. ENERGY: 3099800 757.6599 2062.6631 1942.9404 113.9960 -206153.9225 17820.3401 0.0000 0.0000 34375.4069 -149080.9160 300.2090 -183456.3229 -148978.0598 300.1034 35.0553 67.8946 557826.5101 5.4340 5.3607 PRESSURE: 3100000 -272.444 -21.0088 3.04337 -21.0092 -310.343 -83.0729 3.04535 -83.0719 212.2 GPRESSURE: 3100000 -209.376 -62.4666 16.0166 -89.6376 -320.652 78.761 -31.9525 -179.938 262.903 PRESSAVG: 3100000 -23.0557 45.134 56.0309 45.134 -29.0706 11.7242 56.0309 11.7243 79.2511 GPRESSAVG: 3100000 -22.0203 46.3079 56.5837 44.5116 -29.682 10.008 55.3347 12.141 78.8229 TIMING: 3100000 CPU: 9259.95, 0.00300356/step Wall: 9259.95, 0.00300356/step, 1.58521 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: 3100000 731.1248 2078.8680 1946.6359 119.8102 -205710.6455 17532.7319 0.0000 0.0000 34381.4687 -148920.0061 300.2619 -183301.4747 -148824.6219 300.0563 -123.5291 -89.0416 557773.8732 9.0416 9.0402 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3100000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3100000 WRITING COORDINATES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3100200 85.5775 130.999 -110.98 130.998 -281.729 11.3545 -110.98 11.3548 -7.01805 GPRESSURE: 3100200 78.3177 109.309 -151.757 148.14 -210.624 -122.758 -19.1632 114.118 42.9969 PRESSAVG: 3100200 -94.666 12.1266 -17.8988 12.1265 -12.0948 5.01497 -17.8987 5.01492 85.5312 GPRESSAVG: 3100200 -95.154 10.4563 -16.7834 10.8979 -12.7511 6.06227 -19.6212 4.33592 86.5011 TIMING: 3100200 CPU: 9260.57, 0.0030916/step Wall: 9260.57, 0.0030916/step, 1.63151 hours remaining, 205.324219 MB of memory in use. ENERGY: 3100200 767.1845 2072.7720 1944.5458 112.4515 -206221.7175 17804.4624 0.0000 0.0000 34472.5094 -149047.7920 301.0570 -183520.3013 -148957.8819 299.9639 -67.7233 -29.7699 557310.7604 -7.0765 -7.1347 LDB: ============= START OF LOAD BALANCING ============== 9264 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9264 LDB: =============== DONE WITH MIGRATION ================ 9264 LDB: ============= START OF LOAD BALANCING ============== 9264.3 LDB: Largest compute 4821 load 0.030025 is 25.4% of average load 0.118067 LDB: Average compute 0.001734 is 1.5% of average load 0.118067 LDB: TIME 9264.3 LOAD: AVG 0.118067 MAX 0.203581 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.457 MB LDB: TIME 9264.3 LOAD: AVG 0.118067 MAX 0.203581 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.461 MB LDB: TIME 9264.3 LOAD: AVG 0.118067 MAX 0.203581 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.461 MB LDB: ============== END OF LOAD BALANCING =============== 9264.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9264.31 PRESSURE: 3100400 -5.08043 160.207 93.7391 160.206 77.4954 67.2759 93.739 67.2756 180.754 GPRESSURE: 3100400 19.1548 148.262 56.4438 128.1 65.8517 65.8188 74.487 5.09328 259.949 PRESSAVG: 3100400 7.95445 -22.8085 -2.92205 -22.8085 8.22011 -49.3437 -2.92194 -49.3437 43.7048 GPRESSAVG: 3100400 8.46482 -22.341 -3.08811 -22.5501 8.72871 -50.0137 -1.57091 -49.4349 42.722 TIMING: 3100400 CPU: 9261.18, 0.0030492/step Wall: 9261.18, 0.0030492/step, 1.60896 hours remaining, 206.042969 MB of memory in use. ENERGY: 3100400 717.6102 2100.4054 1936.4584 114.1945 -206195.0631 17840.6684 0.0000 0.0000 34479.2344 -149006.4918 301.1157 -183485.7262 -148904.1549 299.9185 84.3896 114.9853 556525.2593 19.9598 19.9718 PRESSURE: 3100600 29.064 -6.62198 -131.391 -6.61968 -183.683 -43.87 -131.393 -43.8695 -369.929 GPRESSURE: 3100600 78.374 44.4342 -145.49 -0.199174 -153.378 24.8363 -165.36 -48.2296 -347.485 PRESSAVG: 3100600 -25.9666 3.53255 -35.614 3.53253 24.4577 3.17956 -35.614 3.17959 3.91564 GPRESSAVG: 3100600 -26.4621 4.7147 -37.0679 3.26274 23.6436 3.68016 -36.2379 2.51261 4.54554 TIMING: 3100600 CPU: 9261.78, 0.0030211/step Wall: 9261.78, 0.0030211/step, 1.59397 hours remaining, 206.246094 MB of memory in use. ENERGY: 3100600 766.9020 2065.9672 1948.1361 100.4160 -205887.9114 17678.8508 0.0000 0.0000 34439.3455 -148888.2938 300.7674 -183327.6393 -148797.1599 300.8092 -174.8493 -140.8297 557529.2657 0.8023 0.5757 PRESSURE: 3100800 195.962 -132.83 11.9347 -132.831 203.979 -16.947 11.9335 -16.9499 206.119 GPRESSURE: 3100800 234.937 -114.535 60.148 -27.7103 205.271 23.2177 -39.8302 -44.1688 268.367 PRESSAVG: 3100800 30.5323 -22.512 -33.9732 -22.5121 29.751 -36.8889 -33.9732 -36.8891 -32.4976 GPRESSAVG: 3100800 30.0193 -23.0007 -31.37 -20.7231 29.9055 -39.2172 -32.79 -35.5597 -32.4465 TIMING: 3100800 CPU: 9262.38, 0.00298323/step Wall: 9262.38, 0.00298324/step, 1.57382 hours remaining, 206.246094 MB of memory in use. ENERGY: 3100800 746.4830 2158.7851 1930.1574 113.5807 -206179.4018 17934.7361 0.0000 0.0000 34484.0433 -148811.6161 301.1577 -183295.6594 -148713.6314 299.9247 202.0198 236.1918 556632.3539 9.2619 9.1595 PRESSURE: 3101000 20.8223 -135.352 2.22795 -135.351 -60.5347 -107.548 2.22807 -107.549 -106.272 GPRESSURE: 3101000 100.221 -109.115 55.335 -136.125 -90.4303 -73.3976 -33.3257 -116.41 -47.7048 PRESSAVG: 3101000 19.4254 -14.5074 -5.38799 -14.5073 -55.7671 -14.1335 -5.388 -14.1335 -9.10247 GPRESSAVG: 3101000 19.8539 -17.2379 -7.99875 -13.6328 -55.9085 -11.475 -4.11013 -16.5452 -9.45854 TIMING: 3101000 CPU: 9262.98, 0.00299837/step Wall: 9262.98, 0.00299837/step, 1.58164 hours remaining, 206.246094 MB of memory in use. ENERGY: 3101000 761.2350 2116.6520 1940.8626 109.6175 -205836.8411 17762.8446 0.0000 0.0000 34304.9444 -148840.6850 299.5936 -183145.6293 -148746.3721 300.6298 -48.6613 -12.6380 558099.5197 -15.1480 -15.1710 PRESSURE: 3101200 190.424 -181.235 198.999 -181.235 140.292 42.073 199.001 42.0726 -178.564 GPRESSURE: 3101200 195.089 -130.736 195.207 -144.764 211.408 19.1219 127.374 8.01857 -170.088 PRESSAVG: 3101200 78.2383 -40.3632 24.8458 -40.3632 -21.3174 -7.47291 24.8457 -7.47313 -30.2346 GPRESSAVG: 3101200 78.2505 -37.5259 24.1751 -39.921 -21.3479 -9.47552 23.8252 -6.63801 -30.3361 TIMING: 3101200 CPU: 9263.58, 0.00301704/step Wall: 9263.58, 0.00301704/step, 1.59132 hours remaining, 206.246094 MB of memory in use. ENERGY: 3101200 714.8614 2122.6440 1931.6522 120.8780 -205896.0382 17755.5386 0.0000 0.0000 34569.0221 -148681.4419 301.8999 -183250.4640 -148587.4840 301.1996 50.7173 78.8029 554867.2735 8.8954 8.8555 PRESSURE: 3101400 137.347 46.4298 85.3946 46.4281 -161.174 -45.8767 85.3952 -45.8779 93.3406 GPRESSURE: 3101400 143.402 -22.9813 81.9611 119.617 -135.834 -64.4682 30.1349 73.7792 162.018 PRESSAVG: 3101400 58.0497 -31.5092 33.4855 -31.5092 74.6833 -28.016 33.4855 -28.016 -86.8956 GPRESSAVG: 3101400 57.9686 -31.0159 33.799 -33.6647 75.2126 -27.0901 32.8481 -27.3602 -87.5446 TIMING: 3101400 CPU: 9264.18, 0.00301832/step Wall: 9264.18, 0.00301832/step, 1.59183 hours remaining, 206.246094 MB of memory in use. ENERGY: 3101400 759.6777 2124.9565 1940.3696 124.3234 -205897.7812 17812.6999 0.0000 0.0000 34631.7830 -148503.9711 302.4480 -183135.7541 -148413.5283 301.7287 23.1712 56.5285 557006.4621 15.2791 15.2122 PRESSURE: 3101600 -303.319 74.5789 -29.4817 74.5793 -11.2114 -28.1229 -29.4814 -28.1257 -339.307 GPRESSURE: 3101600 -300.251 65.453 -49.4235 28.0542 67.8434 13.9725 -109.371 -57.8381 -327.841 PRESSAVG: 3101600 -61.0953 37.3687 4.16438 37.3686 23.2029 31.6417 4.1644 31.6417 26.0723 GPRESSAVG: 3101600 -62.2852 37.4656 3.53968 36.0356 22.7764 32.6789 4.97221 31.2795 28.086 TIMING: 3101600 CPU: 9264.78, 0.00300245/step Wall: 9264.78, 0.00300245/step, 1.58329 hours remaining, 206.246094 MB of memory in use. ENERGY: 3101600 756.9481 2082.6443 1917.9605 112.1400 -205447.2876 17456.6532 0.0000 0.0000 34639.9097 -148481.0318 302.5189 -183120.9415 -148388.1530 301.0343 -217.9458 -186.7497 559044.9800 -3.9401 -3.8076 PRESSURE: 3101800 -226.008 -41.6581 -195.227 -41.6583 31.1338 -141.668 -195.227 -141.668 6.75682 GPRESSURE: 3101800 -175.298 41.2152 -229.537 -100.993 45.2502 -33.7128 -146.501 -158.053 31.9133 PRESSAVG: 3101800 -51.033 17.0159 -48.823 17.0158 20.6389 26.3489 -48.8231 26.3488 9.35094 GPRESSAVG: 3101800 -50.9846 14.7936 -49.8869 17.9311 21.392 26.8172 -46.5687 25.3669 8.45005 TIMING: 3101800 CPU: 9265.39, 0.00301979/step Wall: 9265.39, 0.00301979/step, 1.59227 hours remaining, 206.246094 MB of memory in use. ENERGY: 3101800 740.7650 2099.9222 1930.0895 97.7330 -205484.0689 17551.8207 0.0000 0.0000 34629.1707 -148434.5678 302.4252 -183063.7386 -148335.8536 301.8891 -62.7059 -32.7114 557841.0655 -7.0144 -7.0475 PRESSURE: 3102000 -169.906 -139.665 173.201 -139.665 -15.7093 -61.8521 173.202 -61.8533 13.8946 GPRESSURE: 3102000 -124.34 -124.153 168.034 -206.852 5.45676 -94.6154 199.729 -17.8724 53.1662 PRESSAVG: 3102000 -44.3198 -87.1009 46.248 -87.1009 19.9676 -21.5501 46.2481 -21.5501 28.1378 GPRESSAVG: 3102000 -44.7003 -86.2648 50.7529 -87.752 19.1595 -23.7654 42.26 -20.3417 29.3081 TIMING: 3102000 CPU: 9266, 0.00303292/step Wall: 9266, 0.00303292/step, 1.59902 hours remaining, 206.246094 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: 3102000 763.1504 2081.4865 1936.6260 117.8645 -205695.8125 17593.3873 0.0000 0.0000 34541.2389 -148662.0588 301.6572 -183203.2977 -148564.9904 301.0190 -57.2402 -21.9055 557046.4386 1.2619 1.2558 PRESSURE: 3102200 28.4108 -20.5535 -175.038 -20.5554 -59.7009 11.313 -175.039 11.3115 -152.25 GPRESSURE: 3102200 51.7684 -117.144 -160.678 -25.3933 -1.42522 13.2466 -116.769 -66.5939 -141.794 PRESSAVG: 3102200 -16.2879 -42.6782 -25.8033 -42.6783 56.6112 82.2512 -25.8033 82.251 -0.552051 GPRESSAVG: 3102200 -15.28 -42.1934 -29.353 -42.5409 56.9401 84.769 -23.2611 78.75 -1.60286 TIMING: 3102200 CPU: 9266.6, 0.00303374/step Wall: 9266.6, 0.00303374/step, 1.59929 hours remaining, 206.246094 MB of memory in use. ENERGY: 3102200 791.7185 2030.7604 1947.5944 112.1665 -205707.6351 17826.4866 0.0000 0.0000 34244.0388 -148754.8700 299.0617 -182998.9088 -148656.4604 300.5792 -61.1802 -30.4837 557138.1325 13.2571 13.3524 PRESSURE: 3102400 -76.3246 -78.7532 -58.4164 -78.7527 -66.8546 3.05611 -58.416 3.05622 -140.149 GPRESSURE: 3102400 -70.1175 -74.1548 36.593 -118.655 -28.9404 -23.9619 -106.978 -11.5501 -71.565 PRESSAVG: 3102400 21.1807 18.939 15.8838 18.939 15.5675 14.7658 15.8837 14.7658 -31.9816 GPRESSAVG: 3102400 21.0192 17.8666 17.6893 19.0307 16.2876 14.6109 15.6222 16.9353 -32.1523 TIMING: 3102400 CPU: 9267.2, 0.00300077/step Wall: 9267.2, 0.00300077/step, 1.58174 hours remaining, 206.246094 MB of memory in use. ENERGY: 3102400 767.2665 2031.0143 1902.8117 109.1830 -205741.6149 17649.3720 0.0000 0.0000 34427.6116 -148854.3557 300.6649 -183281.9673 -148755.5934 300.3864 -94.4428 -56.8743 558391.0746 1.5889 1.7182 PRESSURE: 3102600 -39.5583 -108.985 -19.1676 -108.985 -81.1548 -50.7692 -19.1684 -50.7699 32.7605 GPRESSURE: 3102600 29.4352 -225.585 72.6913 -85.0134 -66.9185 7.83821 -123.427 -53.8837 53.9698 PRESSAVG: 3102600 78.6411 -59.4008 43.0292 -59.4008 -72.6248 -22.4733 43.0292 -22.4733 -25.2902 GPRESSAVG: 3102600 79.197 -60.9214 43.0887 -58.8607 -73.5969 -23.6152 41.8861 -20.8171 -25.2396 TIMING: 3102600 CPU: 9267.8, 0.00300599/step Wall: 9267.8, 0.00300599/step, 1.58433 hours remaining, 206.246094 MB of memory in use. ENERGY: 3102600 716.7954 2085.4115 1908.4239 123.8426 -205655.8573 17564.5669 0.0000 0.0000 34456.7379 -148800.0791 300.9193 -183256.8170 -148707.1018 300.4774 -29.3175 5.4955 558833.2905 -6.4246 -6.5465 PRESSURE: 3102800 -82.6684 -87.5902 -17.7352 -87.5904 -28.317 35.0546 -17.7351 35.0561 9.44346 GPRESSURE: 3102800 -11.7096 -25.3124 -51.7647 -60.204 48.1388 -64.5973 -17.6849 102.065 -40.2425 PRESSAVG: 3102800 78.6487 6.1682 -7.5538 6.16822 -55.0394 34.6742 -7.55384 34.6742 -7.87131 GPRESSAVG: 3102800 78.9094 8.5288 -9.82074 5.91168 -54.6733 35.0592 -4.90139 34.964 -8.67592 TIMING: 3102800 CPU: 9268.4, 0.00298055/step Wall: 9268.4, 0.00298055/step, 1.57075 hours remaining, 206.246094 MB of memory in use. ENERGY: 3102800 717.6229 2106.3419 1940.9914 123.0873 -205325.5901 17509.9511 0.0000 0.0000 34090.5372 -148837.0583 297.7211 -182927.5955 -148745.8954 299.8217 -33.8473 -1.2711 558611.5134 5.2460 5.1867 PRESSURE: 3103000 -231.498 -76.2124 -103.082 -76.2127 -198.98 -28.7874 -103.082 -28.785 -193.431 GPRESSURE: 3103000 -191.806 -137.593 -187.054 -71.9041 -183.978 19.1097 -121.142 -10.7717 -156.146 PRESSAVG: 3103000 -11.7437 -91.6347 -48.47 -91.6348 -66.8198 4.80725 -48.47 4.80729 81.7697 GPRESSAVG: 3103000 -12.8998 -91.7214 -50.1797 -92.1835 -66.2983 2.72042 -49.4641 3.65832 81.7488 TIMING: 3103000 CPU: 9269, 0.00300378/step Wall: 9269, 0.00300378/step, 1.58282 hours remaining, 206.246094 MB of memory in use. ENERGY: 3103000 770.2134 2124.0557 1949.0235 108.9364 -205586.0208 17512.5635 0.0000 0.0000 34281.8915 -148839.3368 299.3923 -183121.2283 -148746.2170 300.3192 -207.9700 -177.3103 559749.1350 1.0687 0.8502 PRESSURE: 3103200 -127.353 35.041 46.4117 35.0385 91.0419 84.0183 46.4129 84.0182 -23.6202 GPRESSURE: 3103200 -119.528 31.1617 61.3013 29.7123 126.689 49.1401 71.7303 48.8992 37.3696 PRESSAVG: 3103200 -36.2284 -20.071 -19.6431 -20.071 79.3797 6.85407 -19.6432 6.85419 -38.8772 GPRESSAVG: 3103200 -36.6255 -21.194 -18.7141 -19.7289 78.6265 9.25387 -19.6386 6.72559 -38.3668 TIMING: 3103200 CPU: 9269.6, 0.00299027/step Wall: 9269.6, 0.00299027/step, 1.57554 hours remaining, 206.316406 MB of memory in use. ENERGY: 3103200 730.4466 2078.1941 1942.8206 121.2482 -206011.9110 17718.0501 0.0000 0.0000 34389.3515 -149031.7999 300.3308 -183421.1515 -148933.1492 299.4279 -19.9771 14.8435 557294.3888 1.4247 1.2114 PRESSURE: 3103400 -52.4964 -150.929 33.6008 -150.93 1.36649 -40.3228 33.6003 -40.3228 -34.5702 GPRESSURE: 3103400 -25.6504 -281.708 27.6382 -95.3007 36.1593 -75.0129 9.89874 -105.724 -8.38836 PRESSAVG: 3103400 13.7018 -26.9569 -18.2557 -26.9568 11.4261 -27.0871 -18.2558 -27.087 -22.4474 GPRESSAVG: 3103400 14.0959 -26.2662 -17.698 -27.889 11.2076 -29.1374 -18.4897 -27.5651 -22.4229 TIMING: 3103400 CPU: 9270.2, 0.00301003/step Wall: 9270.2, 0.00301003/step, 1.58578 hours remaining, 206.316406 MB of memory in use. ENERGY: 3103400 800.7145 2053.2772 1902.0251 119.0616 -205793.2209 17741.2950 0.0000 0.0000 34137.6940 -149039.1535 298.1330 -183176.8476 -148940.0070 299.0357 -28.5667 0.7068 558512.8782 0.8935 0.9602 PRESSURE: 3103600 -201.745 -13.1115 69.1804 -13.1114 37.738 -53.9036 69.1802 -53.9031 -158.59 GPRESSURE: 3103600 -168.823 -11.3969 -28.8651 64.5046 65.0636 -69.1069 159.266 -66.2296 -120.742 PRESSAVG: 3103600 -32.1001 -13.6833 23.9147 -13.6833 50.8213 38.2337 23.9147 38.2336 -12.575 GPRESSAVG: 3103600 -32.17 -13.3026 25.029 -13.0308 51.6157 37.9454 22.9638 37.4214 -13.1723 TIMING: 3103600 CPU: 9270.8, 0.00299741/step Wall: 9270.8, 0.00299741/step, 1.57897 hours remaining, 206.316406 MB of memory in use. ENERGY: 3103600 774.2718 2113.7022 1906.1378 112.7328 -205887.2435 17678.3627 0.0000 0.0000 34397.7475 -148904.2887 300.4041 -183302.0362 -148806.3904 299.9876 -107.5324 -74.8340 559716.3056 2.0487 2.0911 PRESSURE: 3103800 16.1398 -49.2151 37.4689 -49.2161 -7.67777 45.6981 37.4705 45.6994 66.2146 GPRESSURE: 3103800 19.5889 -105.026 50.7522 19.5075 102.164 12.0904 -34.1608 61.2847 56.9357 PRESSAVG: 3103800 -33.8058 10.3431 -39.1611 10.343 37.0947 62.2602 -39.1612 62.2603 -27.9093 GPRESSAVG: 3103800 -33.75 10.0805 -37.6652 9.38019 36.9462 64.2817 -40.3112 63.5484 -28.1786 TIMING: 3103800 CPU: 9271.4, 0.0030058/step Wall: 9271.4, 0.0030058/step, 1.58322 hours remaining, 206.316406 MB of memory in use. ENERGY: 3103800 749.1961 2108.3171 1923.0340 112.7699 -205900.5110 17827.8563 0.0000 0.0000 34183.2090 -148996.1287 298.5305 -183179.3377 -148896.8595 299.8886 24.8922 59.5628 559758.9513 -8.2068 -8.3275 PRESSURE: 3104000 238.958 118.908 20.6503 118.909 209.707 234.601 20.6501 234.6 36.1248 GPRESSURE: 3104000 244.554 171.054 79.7243 57.33 221.387 150.155 29.188 266.904 113.694 PRESSAVG: 3104000 45.8738 21.7185 -16.7595 21.7186 22.5688 75.6586 -16.7594 75.6587 -42.1632 GPRESSAVG: 3104000 45.6695 21.785 -17.7176 21.8169 22.3686 75.4525 -16.4011 75.0937 -41.9735 TIMING: 3104000 CPU: 9272, 0.00301851/step Wall: 9272, 0.00301851/step, 1.58975 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: 3104000 721.9073 2106.3331 1931.8804 114.7269 -205850.1150 17852.3987 0.0000 0.0000 34170.0124 -148952.8562 298.4152 -183122.8686 -148857.8516 299.5831 161.5966 193.2117 556938.4101 8.7598 8.6882 PRESSURE: 3104200 32.2379 32.2464 -46.6231 32.2463 -187.15 -127.015 -46.623 -127.017 4.3554 GPRESSURE: 3104200 76.0622 3.67888 -107.69 71.2874 -160.053 -185.143 -22.7665 -51.5372 27.6518 PRESSAVG: 3104200 28.0099 17.0009 25.6021 17.001 -22.4059 8.28154 25.6021 8.28152 -25.0664 GPRESSAVG: 3104200 28.2127 16.0027 26.218 18.1891 -22.6886 7.9865 24.9304 8.43538 -25.1365 TIMING: 3104200 CPU: 9272.61, 0.00301542/step Wall: 9272.61, 0.00301542/step, 1.58795 hours remaining, 206.316406 MB of memory in use. ENERGY: 3104200 773.8956 2109.1393 1937.4218 110.7973 -205999.2965 17828.6964 0.0000 0.0000 34305.6027 -148933.7433 299.5994 -183239.3460 -148848.5517 299.6725 -50.1856 -18.7796 557726.4643 -6.4875 -6.5374 LDB: ============= START OF LOAD BALANCING ============== 9276.04 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9276.04 LDB: =============== DONE WITH MIGRATION ================ 9276.04 LDB: ============= START OF LOAD BALANCING ============== 9276.34 LDB: Largest compute 4821 load 0.031035 is 26.3% of average load 0.118011 LDB: Average compute 0.001740 is 1.5% of average load 0.118011 LDB: TIME 9276.34 LOAD: AVG 0.118011 MAX 0.203032 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.273 MB LDB: TIME 9276.34 LOAD: AVG 0.118011 MAX 0.203032 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.332 MB LDB: TIME 9276.34 LOAD: AVG 0.118011 MAX 0.203032 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.332 MB LDB: ============== END OF LOAD BALANCING =============== 9276.34 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9276.35 PRESSURE: 3104400 -87.9098 -210.514 -23.6581 -210.514 -44.4995 75.1023 -23.6581 75.1018 -178.879 GPRESSURE: 3104400 -101.13 -192.712 -17.4109 -239.841 -40.1451 -8.51456 -10.4872 115.064 -79.4893 PRESSAVG: 3104400 60.7754 -18.1269 -27.9822 -18.1269 4.09293 21.1211 -27.9823 21.1211 -26.4682 GPRESSAVG: 3104400 60.9307 -17.9677 -29.0892 -16.4287 4.42362 22.7445 -26.8805 21.8086 -26.1112 TIMING: 3104400 CPU: 9273.22, 0.00303824/step Wall: 9273.22, 0.00303824/step, 1.5998 hours remaining, 207.253906 MB of memory in use. ENERGY: 3104400 753.7890 2098.3211 1940.6362 111.2464 -205634.5179 17466.8860 0.0000 0.0000 34511.1455 -148752.4936 301.3944 -183263.6391 -148652.2762 300.2715 -103.7627 -73.5883 557035.2359 12.8000 13.0810 PRESSURE: 3104600 32.982 37.932 7.06527 37.9304 -322.537 84.7665 7.06532 84.7674 90.5661 GPRESSURE: 3104600 -2.71888 21.8905 -16.2878 166.524 -287.391 20.9472 -87.8407 128.513 165.78 PRESSAVG: 3104600 -9.08683 -6.95071 -2.94821 -6.95072 -24.874 71.3848 -2.94821 71.3849 -6.45554 GPRESSAVG: 3104600 -9.42103 -6.67427 -2.29607 -7.0964 -24.9279 72.8538 -2.42646 70.9272 -6.35611 TIMING: 3104600 CPU: 9273.81, 0.00297977/step Wall: 9273.81, 0.00297977/step, 1.56885 hours remaining, 207.675781 MB of memory in use. ENERGY: 3104600 778.7535 2051.2109 1939.3010 125.8884 -205740.8523 17683.7874 0.0000 0.0000 34514.4166 -148647.4945 301.4230 -183161.9111 -148544.6029 300.5569 -66.3297 -41.4435 556709.2130 -13.4721 -13.5683 PRESSURE: 3104800 -197.463 -198.383 78.3427 -198.383 -194.535 -16.8687 78.3415 -16.8697 54.7335 GPRESSURE: 3104800 -140.179 -223.924 140.118 -169.819 -164.446 5.01341 31.3502 -69.315 51.0375 PRESSAVG: 3104800 21.9979 -6.70457 -16.6249 -6.70469 7.68878 10.2472 -16.6249 10.247 -34.0288 GPRESSAVG: 3104800 21.8709 -8.81166 -16.4187 -7.96782 8.4499 8.3842 -17.5619 9.33651 -34.3259 TIMING: 3104800 CPU: 9274.41, 0.00300951/step Wall: 9274.41, 0.00300951/step, 1.58434 hours remaining, 207.675781 MB of memory in use. ENERGY: 3104800 765.0551 2079.3370 1937.2151 122.9747 -205854.0202 17538.7769 0.0000 0.0000 34716.5313 -148694.1301 303.1881 -183410.6614 -148599.2703 300.8241 -112.4217 -84.5289 556291.9117 -1.4474 -1.3350 PRESSURE: 3105000 -101.434 36.5841 8.06083 36.5842 271.512 27.1519 8.06125 27.1522 77.8345 GPRESSURE: 3105000 -56.6479 33.7013 40.9873 30.0167 308.362 67.4492 128.864 24.3333 98.0917 PRESSAVG: 3105000 82.544 3.90121 21.2959 3.90114 -50.547 43.5379 21.2958 43.538 7.67365 GPRESSAVG: 3105000 82.7218 5.24182 20.7779 5.66406 -51.4241 43.641 21.4128 44.0015 8.71006 TIMING: 3105000 CPU: 9275.01, 0.00300742/step Wall: 9275.01, 0.00300742/step, 1.58307 hours remaining, 207.675781 MB of memory in use. ENERGY: 3105000 746.6712 2095.4976 1934.9882 114.2618 -206103.1886 17796.5537 0.0000 0.0000 34468.3359 -148946.8801 301.0205 -183415.2160 -148856.9869 300.5441 82.6375 116.6018 555076.9510 13.2235 13.3359 PRESSURE: 3105200 255.09 101.068 -71.7834 101.067 60.5786 63.3571 -71.7832 63.3577 7.31519 GPRESSURE: 3105200 289.892 71.6259 -76.7312 160.34 115.451 42.4337 -38.1956 139.87 15.5332 PRESSAVG: 3105200 21.0471 3.87059 -98.2166 3.87051 17.7603 -5.05445 -98.2166 -5.05451 -26.4467 GPRESSAVG: 3105200 21.8162 4.71963 -99.1025 2.11497 18.6175 -6.29571 -96.9919 -1.52243 -27.856 TIMING: 3105200 CPU: 9275.61, 0.0029958/step Wall: 9275.61, 0.0029958/step, 1.57679 hours remaining, 207.675781 MB of memory in use. ENERGY: 3105200 746.1676 2114.2821 1942.5926 117.0544 -206197.4004 17968.2175 0.0000 0.0000 34195.6147 -149113.4715 298.6388 -183309.0863 -149026.2460 300.0796 107.6611 140.2919 555195.1717 4.1202 4.1926 PRESSURE: 3105400 -155.555 41.8477 180.59 41.8491 204.667 -115.438 180.59 -115.438 -153.421 GPRESSURE: 3105400 -96.9149 100.128 90.4737 -87.8417 221.574 -182.037 246.566 -74.8492 -134.034 PRESSAVG: 3105400 -1.27191 8.86975 -20.0077 8.86974 22.1646 -26.8568 -20.0078 -26.8568 -14.6437 GPRESSAVG: 3105400 -0.981025 9.80524 -21.0275 8.66802 21.4022 -25.3637 -20.9088 -30.1646 -13.654 TIMING: 3105400 CPU: 9276.21, 0.00299924/step Wall: 9276.21, 0.00299924/step, 1.57843 hours remaining, 207.675781 MB of memory in use. ENERGY: 3105400 784.2131 2075.4605 1948.4894 119.2880 -206361.7826 17880.3865 0.0000 0.0000 34402.8945 -149151.0507 300.4490 -183553.9452 -149055.4967 299.9228 -34.7700 -3.1250 556583.9936 2.0830 2.2557 PRESSURE: 3105600 279.284 40.1668 -10.7574 40.1667 144.33 -99.4265 -10.7564 -99.4267 -57.9372 GPRESSURE: 3105600 345.148 105.819 -44.097 56.0929 173.663 -165.83 51.58 -113.152 -69.4112 PRESSAVG: 3105600 70.4605 52.7373 -16.4623 52.7372 28.4718 -10.6593 -16.4623 -10.6592 -92.3513 GPRESSAVG: 3105600 68.4146 53.9882 -15.9588 51.0374 29.4168 -11.0482 -15.9258 -10.018 -90.8202 TIMING: 3105600 CPU: 9276.81, 0.00299138/step Wall: 9276.81, 0.00299138/step, 1.57413 hours remaining, 207.675781 MB of memory in use. ENERGY: 3105600 731.3493 2099.8375 1942.2924 111.0523 -206421.5190 18050.2791 0.0000 0.0000 34352.8305 -149133.8779 300.0118 -183486.7084 -149033.8154 299.6709 121.8921 149.7997 557285.9936 2.1937 2.3370 PRESSURE: 3105800 -87.0187 1.69932 -48.1737 1.69874 -217.392 163.024 -48.174 163.024 -81.0797 GPRESSURE: 3105800 -57.7565 -7.39572 -81.1537 16.9197 -223.485 214.822 -76.9878 155.035 -2.41729 PRESSAVG: 3105800 79.5052 -3.42764 12.2044 -3.42775 -27.9353 14.0189 12.2043 14.0187 -18.8772 GPRESSAVG: 3105800 81.9823 -5.55985 13.3919 -1.81954 -29.2262 12.2221 12.2388 14.0677 -19.6889 TIMING: 3105800 CPU: 9277.41, 0.00297196/step Wall: 9277.41, 0.00297196/step, 1.56374 hours remaining, 207.675781 MB of memory in use. ENERGY: 3105800 794.8982 2109.5475 1953.4237 108.9935 -206181.3776 17796.9710 0.0000 0.0000 34305.9434 -149111.6003 299.6023 -183417.5437 -149013.9909 299.3076 -128.4970 -94.5529 557378.9640 10.8976 11.0224 PRESSURE: 3106000 114.914 -15.6699 -144.622 -15.6693 153.164 -150.2 -144.622 -150.2 96.1159 GPRESSURE: 3106000 103.921 -56.4115 -147.709 -33.5022 204.015 -117.345 -137.41 -95.9294 143.017 PRESSAVG: 3106000 67.2426 -4.68438 8.42826 -4.68431 -28.8625 59.8243 8.42835 59.8241 -75.2048 GPRESSAVG: 3106000 66.0204 -4.74653 8.01147 -4.16495 -28.2105 61.5377 9.29371 61.1525 -74.4991 TIMING: 3106000 CPU: 9278.01, 0.00303038/step Wall: 9278.01, 0.00303038/step, 1.59431 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: 3106000 729.9016 2084.2988 1924.4461 122.4012 -206458.0236 18140.9362 0.0000 0.0000 34351.4326 -149104.6069 299.9996 -183456.0395 -149011.1605 299.6685 121.3978 150.3176 557495.1118 -12.2749 -12.2297 PRESSURE: 3106200 -162.087 -80.3908 -60.4405 -80.3903 55.225 -81.0532 -60.4407 -81.0544 129.341 GPRESSURE: 3106200 -146.953 -74.911 -10.1295 -88.4893 97.4805 -46.7455 -45.7172 -131.215 157.532 PRESSAVG: 3106200 -38.444 3.16407 -22.473 3.16424 31.4259 -14.6564 -22.4729 -14.6563 19.6461 GPRESSAVG: 3106200 -37.4173 2.46214 -22.2608 4.91486 30.9264 -15.3291 -21.3253 -14.7674 18.9925 TIMING: 3106200 CPU: 9278.62, 0.00301542/step Wall: 9278.62, 0.00301542/step, 1.58628 hours remaining, 207.675781 MB of memory in use. ENERGY: 3106200 742.3535 2059.0431 1971.2629 114.2893 -206221.3508 17850.9433 0.0000 0.0000 34325.1018 -149158.3569 299.7697 -183483.4587 -149064.0405 299.7071 7.4930 36.0198 556748.0775 4.2094 4.1672 PRESSURE: 3106400 -150.725 63.8894 -12.7912 63.889 -219.551 -164.274 -12.7915 -164.273 -110.393 GPRESSURE: 3106400 -82.263 45.1024 -94.8524 71.9536 -205.081 -175.394 -86.5289 -155.617 -100.19 PRESSAVG: 3106400 16.4494 39.5493 -43.7456 39.5494 12.4804 -13.9569 -43.7456 -13.9569 -35.2376 GPRESSAVG: 3106400 16.2389 39.6182 -42.079 37.4504 12.6361 -13.4972 -45.311 -16.5594 -34.9315 TIMING: 3106400 CPU: 9279.22, 0.00302826/step Wall: 9279.22, 0.00302826/step, 1.59286 hours remaining, 207.675781 MB of memory in use. ENERGY: 3106400 723.1180 2111.8822 1955.5960 109.0089 -205766.4930 17533.4327 0.0000 0.0000 34115.5324 -149217.9228 297.9394 -183333.4552 -149119.4291 299.7953 -160.2228 -129.1780 558483.5788 -2.1026 -2.0188 PRESSURE: 3106600 -462.375 54.9222 -109.202 54.9225 -167.346 34.677 -109.202 34.6765 93.7907 GPRESSURE: 3106600 -343.231 65.5345 -71.0633 150.165 -177.842 59.5135 -171.941 -2.91512 86.9484 PRESSAVG: 3106600 -11.408 2.62595 -36.559 2.62599 21.9714 8.14366 -36.559 8.14371 2.61253 GPRESSAVG: 3106600 -11.0379 3.83918 -38.2797 2.80758 21.0999 7.50378 -34.774 8.80612 3.24313 TIMING: 3106600 CPU: 9279.82, 0.00299192/step Wall: 9279.82, 0.00299192/step, 1.57358 hours remaining, 207.675781 MB of memory in use. ENERGY: 3106600 726.1629 2074.9300 1934.7685 117.1452 -205918.9185 17540.0807 0.0000 0.0000 34328.0229 -149197.8083 299.7952 -183525.8312 -149095.7256 299.2072 -178.6433 -144.7079 557637.5027 4.3920 4.4350 PRESSURE: 3106800 -18.9705 -74.1077 44.6406 -74.1083 123.605 -55.4934 44.6399 -55.4947 142.413 GPRESSURE: 3106800 48.2141 -39.5115 -2.54394 -148.142 108.209 -87.4215 147.629 3.94282 191.171 PRESSAVG: 3106800 -25.2542 36.6264 -38.4232 36.6265 64.365 -24.0607 -38.4233 -24.0606 -3.80242 GPRESSAVG: 3106800 -24.3956 36.0088 -38.9187 36.5476 64.4866 -26.4613 -39.483 -23.3867 -5.16557 TIMING: 3106800 CPU: 9280.42, 0.00300032/step Wall: 9280.42, 0.00300032/step, 1.57784 hours remaining, 207.675781 MB of memory in use. ENERGY: 3106800 720.5139 2112.6842 1930.9419 105.3356 -206172.2907 17887.0797 0.0000 0.0000 34225.4232 -149190.3122 298.8991 -183415.7353 -149097.7429 298.4566 82.3491 115.8646 557681.5440 11.7695 11.6418 PRESSURE: 3107000 -95.4636 -46.3917 -69.7 -46.3921 -52.8132 103.796 -69.6989 103.796 106.663 GPRESSURE: 3107000 -15.845 -20.925 9.71752 -114.667 31.8327 48.1387 -108.141 104.698 49.1714 PRESSAVG: 3107000 -9.86035 -22.8953 -5.08536 -22.8953 -31.9872 -28.1866 -5.08534 -28.1866 43.3972 GPRESSAVG: 3107000 -9.57062 -20.9977 -6.26619 -24.0425 -31.4759 -25.3221 -3.74925 -30.5104 42.3703 TIMING: 3107000 CPU: 9281.03, 0.00302666/step Wall: 9281.03, 0.00302666/step, 1.59152 hours remaining, 207.675781 MB of memory in use. ENERGY: 3107000 729.0722 2100.1057 1950.5160 109.1841 -205943.8810 17715.3819 0.0000 0.0000 34192.8957 -149146.7253 298.6151 -183339.6210 -149046.4349 298.9342 -13.8713 21.7197 558011.0204 0.5165 0.4413 PRESSURE: 3107200 106.681 114.615 -122.764 114.614 15.4095 90.6168 -122.766 90.6152 -44.6758 GPRESSURE: 3107200 96.1133 73.0637 -78.3151 115.251 39.3035 55.8214 -113.648 136.894 41.2569 PRESSAVG: 3107200 44.8198 21.7516 -39.4451 21.7515 36.7803 59.6738 -39.4451 59.6737 -20.7091 GPRESSAVG: 3107200 44.1302 18.677 -38.1602 23.7896 37.3046 58.2652 -40.8691 61.3444 -20.8046 TIMING: 3107200 CPU: 9281.63, 0.00302414/step Wall: 9281.63, 0.00302414/step, 1.59002 hours remaining, 207.675781 MB of memory in use. ENERGY: 3107200 735.4105 2135.8686 1926.9824 108.5618 -206388.1933 17930.2630 0.0000 0.0000 34476.5720 -149074.5351 301.0925 -183551.1071 -148978.0278 299.9392 25.8049 58.8912 557727.5005 20.2970 20.2100 PRESSURE: 3107400 -159.359 119.042 -222.617 119.042 -64.0156 23.1703 -222.616 23.1727 -55.8408 GPRESSURE: 3107400 -102.034 117.463 -185.496 139.313 -8.16928 59.6181 -175.977 3.16038 -62.9097 PRESSAVG: 3107400 -44.3122 2.87864 13.4653 2.8786 48.7225 57.3665 13.4653 57.3666 -34.4797 GPRESSAVG: 3107400 -45.1568 5.48212 14.4837 2.42068 48.9648 57.4065 11.7619 57.8322 -33.5562 TIMING: 3107400 CPU: 9282.23, 0.00299045/step Wall: 9282.23, 0.00299045/step, 1.57215 hours remaining, 207.675781 MB of memory in use. ENERGY: 3107400 770.7551 2077.9381 1937.2034 117.0874 -205824.6286 17654.9617 0.0000 0.0000 34087.9150 -149178.7679 297.6982 -183266.6829 -149080.3211 299.6376 -93.0718 -57.7045 558022.8394 -10.0231 -9.9160 PRESSURE: 3107600 76.0241 -162.032 36.7649 -162.032 438.996 -136.366 36.7648 -136.367 165.875 GPRESSURE: 3107600 169.104 -144.215 67.2051 -246.94 430.782 -200.621 7.5342 -122.336 183.742 PRESSAVG: 3107600 -86.7973 39.5607 -35.5677 39.5606 6.61283 24.95 -35.5677 24.9501 37.2909 GPRESSAVG: 3107600 -86.0077 39.4252 -35.502 39.4335 6.22119 25.1012 -34.334 25.0285 37.0842 TIMING: 3107600 CPU: 9282.84, 0.00304083/step Wall: 9282.84, 0.00304083/step, 1.59846 hours remaining, 207.675781 MB of memory in use. ENERGY: 3107600 721.7662 2074.3222 1948.4300 109.3157 -206435.7436 18112.8100 0.0000 0.0000 34354.9432 -149114.1564 300.0303 -183469.0995 -149009.7517 299.0786 226.9649 261.2095 557435.9309 -14.2978 -14.2341 PRESSURE: 3107800 -133.47 -6.82339 169.007 -6.82253 74.1499 -114.697 169.006 -114.697 22.7715 GPRESSURE: 3107800 -81.9214 55.1909 161.81 -76.0479 90.0174 -76.4111 216.322 -106.869 58.516 PRESSAVG: 3107800 -41.5011 15.9133 -44.9244 15.9133 30.0385 -3.77656 -44.9244 -3.77654 53.6461 GPRESSAVG: 3107800 -41.1128 16.6169 -45.4992 15.6333 29.7308 -3.4687 -45.9786 -4.48387 53.591 TIMING: 3107800 CPU: 9283.44, 0.00303818/step Wall: 9283.44, 0.00303818/step, 1.5969 hours remaining, 207.675781 MB of memory in use. ENERGY: 3107800 708.7085 2062.3388 1934.0327 126.3200 -205903.6405 17781.5942 0.0000 0.0000 34062.2707 -149228.3757 297.4743 -183290.6463 -149130.5313 299.8694 -12.1828 22.2040 558528.2740 14.0611 14.0697 PRESSURE: 3108000 -68.9273 -116.931 -54.7784 -116.931 154.916 -20.702 -54.7792 -20.7013 32.2857 GPRESSURE: 3108000 -66.3985 -109.919 -73.5901 -26.7156 210.991 -23.5357 -68.7943 -63.5374 86.409 PRESSAVG: 3108000 -26.2452 0.727461 68.4034 0.727517 -3.15754 7.34051 68.4034 7.34038 -4.34205 GPRESSAVG: 3108000 -27.0165 -0.358037 67.5362 1.75514 -2.6032 7.27398 69.0723 7.32091 -3.57641 TIMING: 3108000 CPU: 9284.04, 0.00299921/step Wall: 9284.04, 0.00299921/step, 1.57625 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: 3108000 758.0025 2038.6839 1962.6481 113.8433 -206326.1066 17996.8757 0.0000 0.0000 34240.3635 -149215.6896 299.0296 -183456.0531 -149118.7289 298.8259 39.4247 77.0006 559011.2996 -11.2482 -11.0654 PRESSURE: 3108200 85.9948 -110.864 -98.0138 -110.862 -26.3551 -125.338 -98.0125 -125.337 -133.784 GPRESSURE: 3108200 127.259 -30.5278 -133.324 -111.027 21.4516 -23.9542 -81.0901 -172.519 -121.191 PRESSAVG: 3108200 -12.7912 41.5605 -23.3469 41.5604 23.0693 6.37548 -23.3469 6.37547 8.00716 GPRESSAVG: 3108200 -12.9648 40.9277 -24.5591 40.4122 22.4459 4.74483 -21.9741 6.89324 8.65118 TIMING: 3108200 CPU: 9284.65, 0.00301775/step Wall: 9284.65, 0.00301775/step, 1.58583 hours remaining, 207.675781 MB of memory in use. ENERGY: 3108200 735.0042 2080.8627 1943.2504 117.5553 -206072.7983 17816.4231 0.0000 0.0000 34146.5262 -149233.1764 298.2101 -183379.7025 -149136.6632 299.2216 -24.7147 9.1732 557239.9926 6.0951 6.0441 LDB: ============= START OF LOAD BALANCING ============== 9288.08 LDB: ============== END OF LOAD BALANCING =============== 9288.08 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9288.08 LDB: ============= START OF LOAD BALANCING ============== 9288.38 LDB: Largest compute 4821 load 0.032088 is 27.2% of average load 0.118004 LDB: Average compute 0.001733 is 1.5% of average load 0.118004 LDB: TIME 9288.38 LOAD: AVG 0.118004 MAX 0.203082 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.438 MB LDB: TIME 9288.38 LOAD: AVG 0.118004 MAX 0.203082 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.438 MB LDB: TIME 9288.38 LOAD: AVG 0.118004 MAX 0.203082 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.438 MB LDB: ============== END OF LOAD BALANCING =============== 9288.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9288.39 PRESSURE: 3108400 -53.0689 97.9073 -89.9517 97.9069 -300.528 -52.4974 -89.9504 -52.4967 -175.964 GPRESSURE: 3108400 17.8916 -49.2347 -54.0399 195.384 -291.579 -88.0909 -115.363 -73.3466 -159.173 PRESSAVG: 3108400 9.6119 17.5061 -24.4189 17.506 65.6278 13.5861 -24.4189 13.5861 -4.96917 GPRESSAVG: 3108400 8.70156 18.1477 -22.5897 16.0897 66.0884 16.4605 -26.0537 12.0088 -4.549 TIMING: 3108400 CPU: 9285.26, 0.00306615/step Wall: 9285.26, 0.00306615/step, 1.61109 hours remaining, 207.019531 MB of memory in use. ENERGY: 3108400 740.7969 2139.7665 1970.1503 114.1277 -206369.8392 17637.7826 0.0000 0.0000 34536.6469 -149230.5682 301.6171 -183767.2151 -149128.6311 299.3838 -176.5204 -144.2865 557418.8838 23.4235 23.4136 PRESSURE: 3108600 123.527 -96.2553 -38.4638 -96.2553 -74.1724 -93.5722 -38.4644 -93.5723 -100.087 GPRESSURE: 3108600 110.929 -81.1067 46.8447 -164.341 -24.8482 -125.527 -55.7461 -103.198 -37.9117 PRESSAVG: 3108600 45.0302 -9.91678 -8.46993 -9.91692 -9.98082 -39.6954 -8.46997 -39.6954 -12.4999 GPRESSAVG: 3108600 45.5848 -10.1695 -7.19927 -8.8694 -8.76277 -40.7611 -8.20381 -37.8158 -13.8818 TIMING: 3108600 CPU: 9285.86, 0.00298148/step Wall: 9285.86, 0.00298148/step, 1.56644 hours remaining, 207.222656 MB of memory in use. ENERGY: 3108600 752.6162 2065.8130 1959.7285 137.0963 -206207.2995 17750.0918 0.0000 0.0000 34250.5232 -149291.4305 299.1183 -183541.9537 -149193.9597 299.1069 -16.9107 16.0562 556485.6566 7.5165 7.6467 PRESSURE: 3108800 -320.245 10.7392 51.1435 10.7376 -97.2049 -77.5696 51.1448 -77.5696 -238.481 GPRESSURE: 3108800 -311.463 2.01849 47.0607 36.9035 -14.4099 -83.767 101.258 -142.234 -233.054 PRESSAVG: 3108800 7.31794 -34.3958 81.6292 -34.3958 6.09767 -35.9834 81.6292 -35.9834 -28.5577 GPRESSAVG: 3108800 7.82391 -33.4132 80.2675 -33.8362 5.58386 -37.3113 80.4702 -35.6983 -28.833 TIMING: 3108800 CPU: 9286.46, 0.0030048/step Wall: 9286.46, 0.0030048/step, 1.57852 hours remaining, 207.222656 MB of memory in use. ENERGY: 3108800 768.7340 2105.3517 1917.1758 114.6111 -206258.5473 17608.6026 0.0000 0.0000 34395.2231 -149348.8490 300.3820 -183744.0722 -149257.6428 299.2256 -218.6435 -186.3089 557630.9402 -5.0474 -5.1417 PRESSURE: 3109000 39.8744 14.8946 33.5292 14.8951 69.0794 47.6631 33.5282 47.6612 -151.002 GPRESSURE: 3109000 101.605 25.4872 31.2968 25.4271 77.8708 47.5961 8.1305 45.2064 -121.753 PRESSAVG: 3109000 -40.2251 -6.57589 54.2914 -6.57578 63.2216 37.3542 54.2913 37.3542 -32.679 GPRESSAVG: 3109000 -40.5547 -7.31423 55.0658 -6.21179 64.1269 39.6217 56.1067 36.5329 -33.0098 TIMING: 3109000 CPU: 9287.06, 0.00299297/step Wall: 9287.06, 0.00299297/step, 1.57214 hours remaining, 207.222656 MB of memory in use. ENERGY: 3109000 763.1368 2057.0925 1936.6412 113.1635 -206554.7401 18066.3715 0.0000 0.0000 34284.0699 -149334.2646 299.4113 -183618.3346 -149234.9337 299.1967 -14.0162 19.2409 557985.0380 -3.2275 -3.1459 PRESSURE: 3109200 -240.005 -15.2085 95.5463 -15.209 -225.965 93.4881 95.5475 93.4908 -114.846 GPRESSURE: 3109200 -311.149 -3.57956 21.1124 -29.7976 -170.244 126.113 96.9076 32.0391 -4.37088 PRESSAVG: 3109200 -3.22762 -4.62922 28.6914 -4.62921 -25.669 -33.5359 28.6913 -33.5358 -36.4712 GPRESSAVG: 3109200 -3.64762 -5.41748 28.7704 -4.87612 -25.7805 -34.4153 27.4203 -33.5651 -35.5209 TIMING: 3109200 CPU: 9287.65, 0.0029906/step Wall: 9287.65, 0.0029906/step, 1.57073 hours remaining, 207.222656 MB of memory in use. ENERGY: 3109200 715.5163 2093.6009 1964.3518 118.1743 -206104.2317 17695.0080 0.0000 0.0000 34334.7350 -149182.8455 299.8538 -183517.5805 -149082.9655 299.1804 -193.6052 -161.9214 559825.6606 -21.7893 -21.6497 PRESSURE: 3109400 249.166 -10.3945 -138.575 -10.3944 103.535 147.975 -138.575 147.975 -169.465 GPRESSURE: 3109400 275.882 2.80014 -75.75 -90.0686 83.9232 45.65 -177.945 161.757 -85.8084 PRESSAVG: 3109400 9.4604 15.0112 31.1551 15.0112 17.9792 -38.2079 31.155 -38.2079 -23.3389 GPRESSAVG: 3109400 9.24542 16.0711 29.5375 13.1922 18.1111 -39.7774 32.9532 -38.1113 -23.5034 TIMING: 3109400 CPU: 9288.25, 0.00297373/step Wall: 9288.25, 0.00297373/step, 1.5617 hours remaining, 207.222656 MB of memory in use. ENERGY: 3109400 737.2028 2101.5837 1936.9171 105.7745 -206418.8760 18090.7355 0.0000 0.0000 34297.3223 -149149.3402 299.5270 -183446.6625 -149054.7912 299.6060 61.0786 91.3323 558478.9337 1.3669 1.2844 PRESSURE: 3109600 175.127 -77.564 63.6048 -77.5635 27.046 100.507 63.605 100.507 151.415 GPRESSURE: 3109600 232.957 -139.611 2.9208 -3.33976 28.5838 59.5038 100.854 27.4068 179.408 PRESSAVG: 3109600 71.1363 -8.21729 22.4739 -8.21738 18.2522 1.72673 22.4739 1.72671 -72.7432 GPRESSAVG: 3109600 71.9492 -7.73696 22.6866 -6.28426 16.7939 3.1373 21.1975 2.35689 -72.1361 TIMING: 3109600 CPU: 9288.86, 0.00303275/step Wall: 9288.86, 0.00303275/step, 1.59253 hours remaining, 207.222656 MB of memory in use. ENERGY: 3109600 729.9114 2073.2520 1931.0430 120.3624 -206269.4903 17919.8171 0.0000 0.0000 34297.3554 -149197.7490 299.5273 -183495.1044 -149102.0551 299.9893 117.8625 146.9830 556477.0902 5.5485 5.5357 PRESSURE: 3109800 -78.5484 -80.8062 -41.332 -80.8058 -182.523 -94.3114 -41.3327 -94.312 39.4651 GPRESSURE: 3109800 -63.274 -85.8436 -44.6996 -46.4666 -125.633 -151.962 21.1365 -27.1847 57.1973 PRESSAVG: 3109800 5.225 -65.3392 1.63822 -65.3391 25.5388 -18.4904 1.63823 -18.4904 -7.09517 GPRESSAVG: 3109800 5.28004 -64.4491 2.88439 -64.6324 26.2408 -19.4758 0.556832 -17.5587 -7.7033 TIMING: 3109800 CPU: 9289.46, 0.00301234/step Wall: 9289.46, 0.00301234/step, 1.58165 hours remaining, 207.222656 MB of memory in use. ENERGY: 3109800 766.3059 2114.6552 1891.8844 119.3332 -206146.1500 17807.1909 0.0000 0.0000 34202.5877 -149244.1928 298.6997 -183446.7805 -149153.5582 299.3025 -73.8689 -43.9034 557746.8121 7.8896 7.9392 PRESSURE: 3110000 -54.2199 2.83226 -63.2742 2.83246 187.206 -86.0956 -63.2732 -86.0968 -156.667 GPRESSURE: 3110000 -44.0896 -13.772 -21.3786 8.58766 220.05 -119.316 -97.1539 -117.454 -112.952 PRESSAVG: 3110000 5.05036 -28.2862 -1.40723 -28.2862 26.5026 56.1693 -1.40719 56.1691 -48.2627 GPRESSAVG: 3110000 4.64327 -26.7014 -3.72299 -29.2483 26.085 56.6671 -0.0594334 53.8086 -48.1336 TIMING: 3110000 CPU: 9290.06, 0.00301726/step Wall: 9290.06, 0.00301726/step, 1.58406 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: 3110000 745.3596 2036.2025 1934.3682 112.1749 -206454.3610 18028.5176 0.0000 0.0000 34428.8133 -149168.9249 300.6754 -183597.7382 -149062.4671 299.3851 -7.8938 21.0027 558625.6652 -5.5699 -5.8018 PRESSURE: 3110200 -117.34 1.80005 51.9956 1.79968 -344.835 -46.8096 51.9944 -46.8098 60.0082 GPRESSURE: 3110200 -83.5268 -79.7384 62.6282 60.0337 -345.892 -97.241 -81.8306 27.5728 113.893 PRESSAVG: 3110200 39.9924 1.52343 8.0421 1.5235 -21.6695 1.958 8.04208 1.95802 -31.5758 GPRESSAVG: 3110200 40.1247 0.402812 11.6105 1.7611 -22.1777 1.80965 7.07323 3.23421 -30.9512 TIMING: 3110200 CPU: 9290.67, 0.00303758/step Wall: 9290.67, 0.00303758/step, 1.59456 hours remaining, 207.386719 MB of memory in use. ENERGY: 3110200 733.1775 2099.8863 1930.2714 121.6728 -205879.9723 17607.3287 0.0000 0.0000 34216.7987 -149170.8370 298.8238 -183387.6356 -149072.0641 299.6142 -134.0555 -105.1753 558369.0724 -4.4177 -4.3348 PRESSURE: 3110400 112.939 165.617 -67.2482 165.617 217.505 129.479 -67.2493 129.479 89.0729 GPRESSURE: 3110400 120.101 165.8 -20.0668 174.289 246.866 119.722 -24.6168 167.252 149.013 PRESSAVG: 3110400 18.6504 42.0856 24.0831 42.0857 -23.0543 0.135086 24.0833 0.135062 26.9655 GPRESSAVG: 3110400 18.1718 41.3953 22.4795 42.5609 -23.0026 0.0806271 25.7183 -0.564764 26.9633 TIMING: 3110400 CPU: 9291.28, 0.00306141/step Wall: 9291.28, 0.00306141/step, 1.6069 hours remaining, 207.386719 MB of memory in use. ENERGY: 3110400 761.0467 2115.1239 1928.3950 114.3721 -206024.5666 17943.9236 0.0000 0.0000 34203.5494 -148958.1559 298.7081 -183161.7053 -148860.4470 298.8520 139.8392 171.9933 557811.8810 7.5205 7.3775 PRESSURE: 3110600 -277.04 71.3518 197.071 71.3517 -164.301 0.751809 197.07 0.752023 -79.9199 GPRESSURE: 3110600 -279.827 131.472 205.285 81.2396 -104.98 31.948 212.074 13.6934 -39.1612 PRESSAVG: 3110600 -125.929 58.6755 15.2255 58.6755 24.6279 23.1965 15.2256 23.1964 71.5349 GPRESSAVG: 3110600 -126.778 57.8939 15.994 57.3955 24.8941 24.0413 13.7611 22.8553 72.4721 TIMING: 3110600 CPU: 9291.88, 0.00300081/step Wall: 9291.88, 0.00300081/step, 1.57493 hours remaining, 207.386719 MB of memory in use. ENERGY: 3110600 774.9586 2030.5602 1959.1568 113.6955 -205849.5098 17643.7276 0.0000 0.0000 34250.7516 -149076.6595 299.1203 -183327.4112 -148979.8134 299.6968 -173.7535 -141.3228 558653.7026 -9.9219 -9.8038 PRESSURE: 3110800 241.657 134.082 131.766 134.081 116.199 91.9454 131.766 91.9443 123.109 GPRESSURE: 3110800 292.339 170.68 78.0084 151.334 155.203 126.075 171.103 41.7911 136.148 PRESSAVG: 3110800 -2.31018 12.4096 28.6193 12.4096 22.0265 28.2043 28.6193 28.2043 -29.1919 GPRESSAVG: 3110800 -0.638972 12.8983 29.0636 14.2593 21.4825 29.4319 29.0805 27.184 -30.4587 TIMING: 3110800 CPU: 9292.48, 0.00299182/step Wall: 9292.48, 0.00299182/step, 1.57004 hours remaining, 207.386719 MB of memory in use. ENERGY: 3110800 751.3359 2037.5089 1942.1080 104.2756 -206468.7031 18151.9252 0.0000 0.0000 34357.0688 -149124.4809 300.0488 -183481.5496 -149025.5516 299.7656 160.3214 194.5632 557353.8317 -3.1585 -3.2051 PRESSURE: 3111000 -139.371 53.6219 -56.7781 53.6227 -221.127 -1.59762 -56.7786 -1.5984 -166.522 GPRESSURE: 3111000 -122.376 71.4051 -28.7103 23.8672 -180.659 0.553401 -126.166 61.4999 -121.591 PRESSAVG: 3111000 52.725 9.74072 3.82155 9.74061 17.5199 43.4553 3.82146 43.4554 -52.8515 GPRESSAVG: 3111000 52.9367 9.46923 2.30886 9.71596 17.6344 44.4777 4.01053 44.9168 -53.6175 TIMING: 3111000 CPU: 9293.08, 0.00299114/step Wall: 9293.08, 0.00299114/step, 1.56952 hours remaining, 207.386719 MB of memory in use. ENERGY: 3111000 753.4367 2053.6002 1927.8694 123.2852 -206055.0516 17657.2092 0.0000 0.0000 34430.1982 -149109.4525 300.6875 -183539.6508 -149011.9481 300.1661 -175.6735 -141.5419 557645.4756 5.7978 5.6512 PRESSURE: 3111200 31.1488 40.2244 115.643 40.2248 94.6411 35.5896 115.644 35.5911 123.407 GPRESSURE: 3111200 87.9968 -4.36518 103.304 75.267 56.2679 -71.3743 79.9066 -86.2243 200.556 PRESSAVG: 3111200 51.0285 -17.2272 52.6484 -17.2272 26.4782 16.4847 52.6484 16.4847 -47.2349 GPRESSAVG: 3111200 50.7147 -15.6786 52.6691 -18.9948 25.842 15.025 53.4297 16.678 -46.0425 TIMING: 3111200 CPU: 9293.68, 0.00300655/step Wall: 9293.68, 0.00300655/step, 1.57744 hours remaining, 207.386719 MB of memory in use. ENERGY: 3111200 782.7243 2127.0185 1933.1947 109.9468 -205922.0222 17814.7333 0.0000 0.0000 34201.4623 -148952.9422 298.6899 -183154.4045 -148850.0379 300.2738 83.0656 114.9404 557351.1602 10.0906 10.1714 PRESSURE: 3111400 115.762 -23.8333 79.7869 -23.8321 0.986353 16.1249 79.7875 16.1251 -325.567 GPRESSURE: 3111400 166.116 -27.4947 81.3413 -72.3873 34.7731 69.3944 61.5078 -55.4589 -317.074 PRESSAVG: 3111400 56.9122 -74.7638 0.582117 -74.7638 11.11 -60.2817 0.582066 -60.2816 -90.0215 GPRESSAVG: 3111400 55.7373 -75.6249 1.86995 -72.8497 12.9149 -59.9828 -2.01476 -61.9617 -90.8823 TIMING: 3111400 CPU: 9294.28, 0.00300982/step Wall: 9294.28, 0.00300982/step, 1.57898 hours remaining, 207.386719 MB of memory in use. ENERGY: 3111400 767.4064 2139.7570 1907.4091 111.6008 -205836.4188 17611.2649 0.0000 0.0000 34391.8842 -148907.0963 300.3529 -183298.9806 -148805.0898 300.2172 -69.6062 -38.7283 558138.5443 -7.3331 -7.4100 PRESSURE: 3111600 35.5596 26.2083 -35.3166 26.2079 -91.3573 7.54405 -35.3167 7.54361 -42.6861 GPRESSURE: 3111600 35.2247 -35.8649 -90.4536 122.492 -30.8302 -16.4123 39.1995 7.694 -16.2757 PRESSAVG: 3111600 42.6774 -18.8563 98.231 -18.8563 -28.2275 -17.8848 98.231 -17.8848 13.5576 GPRESSAVG: 3111600 44.7044 -19.7781 97.5645 -19.4753 -30.5266 -19.7213 101.697 -14.3159 13.5419 TIMING: 3111600 CPU: 9294.88, 0.00300779/step Wall: 9294.88, 0.00300779/step, 1.57775 hours remaining, 207.386719 MB of memory in use. ENERGY: 3111600 712.3098 2100.1841 1945.7194 127.0907 -205828.1035 17651.5406 0.0000 0.0000 34321.9676 -148969.2912 299.7423 -183291.2588 -148870.0787 300.1752 -32.8279 -3.9604 557054.6193 9.3358 9.2399 PRESSURE: 3111800 -58.6775 75.7866 -34.2526 75.7876 76.1321 119.013 -34.2533 119.012 323.006 GPRESSURE: 3111800 -5.34764 42.4152 -120.901 69.4201 133.643 104.034 -18.0896 193.07 308.807 PRESSAVG: 3111800 -13.96 18.8972 22.1551 18.8972 -53.7696 21.8945 22.1551 21.8945 33.8745 GPRESSAVG: 3111800 -15.272 18.1007 21.0672 16.6874 -52.3502 23.9109 21.7004 20.1115 34.2195 TIMING: 3111800 CPU: 9295.48, 0.00299678/step Wall: 9295.48, 0.00299678/step, 1.57181 hours remaining, 207.386719 MB of memory in use. ENERGY: 3111800 706.9019 2139.4372 1931.4473 104.8197 -206085.3047 17888.0515 0.0000 0.0000 34260.8818 -149053.7653 299.2088 -183314.6470 -148957.1222 299.4025 113.4869 145.7008 557612.0728 -11.2850 -11.1343 PRESSURE: 3112000 127.929 27.2633 -115.743 27.2617 84.6159 104.172 -115.743 104.172 8.27285 GPRESSURE: 3112000 161.958 81.2693 -138.084 39.6589 147.657 102.335 -67.4412 141.681 -2.20511 PRESSAVG: 3112000 -59.9325 3.11222 -37.4779 3.11214 52.729 -21.9486 -37.4779 -21.9485 27.9823 GPRESSAVG: 3112000 -58.4703 5.56248 -35.3757 3.97771 52.7702 -21.6211 -39.0564 -23.76 27.0788 TIMING: 3112000 CPU: 9296.09, 0.00302976/step Wall: 9296.09, 0.00302976/step, 1.58894 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: 3112000 830.6237 2089.8534 1943.3197 116.4315 -206633.9141 18153.4181 0.0000 0.0000 34366.7378 -149133.5298 300.1333 -183500.2676 -149037.8748 299.3408 73.6058 102.4700 556322.4632 6.9263 7.1262 PRESSURE: 3112200 -123.439 49.324 -67.1943 49.3239 -59.7424 190.03 -67.196 190.029 91.3229 GPRESSURE: 3112200 -59.6951 11.6546 -89.9699 91.9818 -47.9757 180.635 -125.945 150.203 119.246 PRESSAVG: 3112200 13.1438 -8.1492 10.6757 -8.14921 13.787 -25.4759 10.6756 -25.4759 23.0659 GPRESSAVG: 3112200 11.8644 -9.81068 8.75014 -5.37751 14.471 -27.0697 12.0268 -21.7352 24.2216 TIMING: 3112200 CPU: 9296.7, 0.00304162/step Wall: 9296.7, 0.00304162/step, 1.59499 hours remaining, 207.386719 MB of memory in use. ENERGY: 3112200 771.9724 2126.1074 1974.2899 115.5628 -206365.9937 17833.7726 0.0000 0.0000 34241.1612 -149303.1274 299.0366 -183544.2886 -149208.9356 299.5052 -30.6194 3.8582 558745.7524 16.6655 16.8523 LDB: ============= START OF LOAD BALANCING ============== 9300.13 LDB: ============== END OF LOAD BALANCING =============== 9300.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9300.13 LDB: ============= START OF LOAD BALANCING ============== 9300.44 LDB: Largest compute 4821 load 0.032147 is 27.2% of average load 0.117978 LDB: Average compute 0.001735 is 1.5% of average load 0.117978 LDB: TIME 9300.45 LOAD: AVG 0.117978 MAX 0.203388 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.188 MB LDB: TIME 9300.45 LOAD: AVG 0.117978 MAX 0.203388 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.188 MB LDB: TIME 9300.45 LOAD: AVG 0.117978 MAX 0.203388 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.188 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9300.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9300.45 PRESSURE: 3112400 15.3751 130.953 -212.274 130.954 23.7733 37.5873 -212.274 37.5863 -59.7257 GPRESSURE: 3112400 65.9912 92.7027 -262.759 176.071 72.5559 17.6448 -124.199 -33.6572 -61.8732 PRESSAVG: 3112400 -8.44467 14.9926 8.51123 14.9926 39.3342 27.3027 8.51135 27.3025 2.16534 GPRESSAVG: 3112400 -8.71156 15.2277 10.0232 14.9944 39.688 27.6925 8.34331 24.9893 2.00937 TIMING: 3112400 CPU: 9297.32, 0.00312947/step Wall: 9297.32, 0.00312947/step, 1.64088 hours remaining, 206.511719 MB of memory in use. ENERGY: 3112400 770.4570 2129.6971 1953.4091 107.3641 -206260.2287 17716.1745 0.0000 0.0000 34198.9954 -149384.1315 298.6683 -183583.1269 -149281.0998 298.5438 -6.8591 25.5580 555928.9375 11.0183 10.9953 PRESSURE: 3112600 -5.13003 -2.75334 144.848 -2.75357 -138.244 85.8709 144.848 85.8701 138.034 GPRESSURE: 3112600 60.9316 1.2875 236.918 -71.5993 -99.8314 57.7431 40.1733 101.717 129.254 PRESSAVG: 3112600 31.8953 17.25 34.3458 17.25 -34.1595 -39.5905 34.3457 -39.5906 30.2971 GPRESSAVG: 3112600 32.6909 17.2445 33.4255 13.9101 -35.1906 -39.0177 33.6993 -39.0206 30.5157 TIMING: 3112600 CPU: 9297.93, 0.00303169/step Wall: 9297.93, 0.00303169/step, 1.58945 hours remaining, 206.710938 MB of memory in use. ENERGY: 3112600 729.4889 2080.1499 1958.3554 103.6361 -206344.5064 17775.4878 0.0000 0.0000 34122.5835 -149574.8047 298.0010 -183697.3882 -149483.2539 298.2347 -1.7801 30.1180 557143.6216 9.3443 9.3387 PRESSURE: 3112800 -73.8435 -71.5414 122.906 -71.5411 -43.8593 91.8977 122.904 91.8965 -278.022 GPRESSURE: 3112800 -102.347 -59.8431 168.657 -25.6648 57.8088 70.0478 139.559 131.841 -248.512 PRESSAVG: 3112800 -42.7514 -36.0964 28.6506 -36.0964 7.80693 69.6029 28.6505 69.6029 22.8896 GPRESSAVG: 3112800 -43.9195 -34.8711 28.8703 -34.7792 9.39057 69.162 29.8306 68.1888 22.1776 TIMING: 3112800 CPU: 9298.53, 0.00302463/step Wall: 9298.53, 0.00302463/step, 1.58558 hours remaining, 206.710938 MB of memory in use. ENERGY: 3112800 755.9233 2136.9871 1925.5126 99.6781 -206268.0317 17755.8196 0.0000 0.0000 34105.8845 -149488.2266 297.8552 -183594.1111 -149392.1377 298.3146 -131.9081 -97.6835 557646.8433 -4.0183 -4.1171 PRESSURE: 3113000 13.6617 33.2152 -4.10322 33.214 -3.30744 30.7836 -4.10359 30.7832 -122.613 GPRESSURE: 3113000 30.4906 32.7626 1.29716 62.1407 17.3345 23.3205 31.5628 65.1097 -78.7638 PRESSAVG: 3113000 100.437 -87.6132 25.9867 -87.6133 -56.7973 50.4359 25.9867 50.4359 -35.239 GPRESSAVG: 3113000 101.114 -90.1908 26.9975 -86.2051 -57.3306 50.9113 24.2658 51.2454 -35.1314 TIMING: 3113000 CPU: 9299.13, 0.00297771/step Wall: 9299.13, 0.00297771/step, 1.56081 hours remaining, 206.710938 MB of memory in use. ENERGY: 3113000 739.7415 2157.1968 1926.8792 120.7956 -206442.6175 17926.4347 0.0000 0.0000 34089.2733 -149482.2964 297.7101 -183571.5696 -149380.5628 298.4184 -37.4197 -10.3129 557179.7859 2.8004 2.8840 PRESSURE: 3113200 -62.6947 -0.90285 102.771 -0.903858 250.107 107.745 102.772 107.746 -128.222 GPRESSURE: 3113200 -16.0701 -28.294 190.415 38.5875 188.314 62.3317 -27.4982 146.233 -12.0332 PRESSAVG: 3113200 54.0007 -7.75251 9.17986 -7.75252 -9.62232 11.1819 9.17993 11.182 -16.3861 GPRESSAVG: 3113200 54.492 -6.30706 9.32457 -9.56868 -10.6656 10.0745 9.61539 11.7688 -16.1133 TIMING: 3113200 CPU: 9299.73, 0.00298713/step Wall: 9299.73, 0.00298713/step, 1.56559 hours remaining, 206.710938 MB of memory in use. ENERGY: 3113200 719.7687 2135.4439 1917.7730 114.2851 -206494.4675 17964.1709 0.0000 0.0000 34114.0078 -149529.0180 297.9261 -183643.0258 -149434.7609 298.5355 19.7301 53.4034 557400.3476 9.3308 9.2377 PRESSURE: 3113400 28.004 -11.1095 48.1375 -11.11 -51.3269 65.3438 48.1369 65.3442 43.747 GPRESSURE: 3113400 18.7225 -105.066 3.61065 33.9957 -45.3779 -20.8736 72.6952 102.115 154.711 PRESSAVG: 3113400 -8.94421 -21.6058 55.7462 -21.6058 35.6326 11.9068 55.7461 11.9069 -71.0735 GPRESSAVG: 3113400 -9.50209 -21.5393 53.0452 -20.9584 36.6556 12.3189 55.9959 9.60577 -71.3642 TIMING: 3113400 CPU: 9300.33, 0.00303247/step Wall: 9300.33, 0.00303247/step, 1.58918 hours remaining, 206.710938 MB of memory in use. ENERGY: 3113400 725.9596 2076.0210 1911.0086 123.0394 -206413.5238 17862.7503 0.0000 0.0000 34228.6365 -149486.1082 298.9272 -183714.7448 -149392.6959 297.5344 6.8080 42.6851 557367.4697 -14.7951 -14.7369 PRESSURE: 3113600 -191.372 44.9598 -182.904 44.9609 253.267 -207.395 -182.903 -207.396 17.4906 GPRESSURE: 3113600 -182.372 24.7498 -258.815 34.9624 299.73 -193.458 -67.6551 -150.643 53.5177 PRESSAVG: 3113600 -28.5745 -13.7613 -1.32865 -13.7614 -3.05366 3.47191 -1.32855 3.47186 61.1381 GPRESSAVG: 3113600 -29.3485 -15.4148 -0.1556 -13.3192 -2.70024 0.488605 -1.97162 5.22678 61.3077 TIMING: 3113600 CPU: 9300.94, 0.0030351/step Wall: 9300.94, 0.0030351/step, 1.59039 hours remaining, 206.710938 MB of memory in use. ENERGY: 3113600 745.5011 2111.1539 1955.7425 125.8143 -206573.6962 17947.1609 0.0000 0.0000 34137.3687 -149550.9548 298.1301 -183688.3235 -149454.9190 298.1899 26.4620 56.9585 558321.6625 9.8366 9.7530 PRESSURE: 3113800 197.594 145.35 -5.32446 145.349 207.618 -17.4915 -5.32362 -17.4921 -0.115357 GPRESSURE: 3113800 232.301 126.065 98.5347 234.92 221.926 -62.8719 -31.7896 6.78656 46.4865 PRESSAVG: 3113800 37.0726 46.9942 20.0855 46.9942 -36.0561 26.1401 20.0855 26.1401 -12.8713 GPRESSAVG: 3113800 38.3279 46.6434 20.1076 48.7099 -38.4302 27.6818 20.3024 26.4835 -12.1078 TIMING: 3113800 CPU: 9301.55, 0.00303561/step Wall: 9301.55, 0.00303561/step, 1.59049 hours remaining, 206.710938 MB of memory in use. ENERGY: 3113800 713.8845 2057.8104 1943.6814 107.4842 -206834.5060 18142.6169 0.0000 0.0000 34160.3924 -149708.6363 298.3312 -183869.0287 -149604.4815 298.0407 135.0323 166.9043 557368.9553 -3.9516 -4.0700 PRESSURE: 3114000 -250.668 26.7213 186.895 26.7216 -173.141 -173.049 186.896 -173.048 -23.2551 GPRESSURE: 3114000 -183.545 0.754644 188.281 32.8791 -139.087 -244.098 159.686 -214.597 -22.3957 PRESSAVG: 3114000 11.8125 0.250848 37.0662 0.250829 -11.1516 -8.6146 37.0661 -8.61465 26.5707 GPRESSAVG: 3114000 11.2581 1.52167 38.1972 -4.1297 -9.79448 -6.09204 35.6409 -9.05706 25.9738 TIMING: 3114000 CPU: 9302.15, 0.0030138/step Wall: 9302.15, 0.0030138/step, 1.57889 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: 3114000 735.7571 2082.9382 1952.1717 109.7247 -206096.2874 17613.3040 0.0000 0.0000 33986.9209 -149615.4707 296.8162 -183602.3916 -149517.9851 297.8179 -149.0212 -115.0094 558051.3911 9.0772 9.1458 PRESSURE: 3114200 169.643 -11.2884 71.3027 -11.2881 2.2159 120.049 71.303 120.049 293.399 GPRESSURE: 3114200 213.945 -8.64669 48.6131 50.7504 19.0923 88.1574 46.7291 26.4495 328.084 PRESSAVG: 3114200 -35.4885 -2.57055 10.3999 -2.5706 -6.37854 -14.304 10.3999 -14.3038 25.6956 GPRESSAVG: 3114200 -36.0556 -1.11379 8.34703 -1.97264 -6.74092 -17.066 11.9968 -15.2408 26.6219 TIMING: 3114200 CPU: 9302.76, 0.00303079/step Wall: 9302.76, 0.00303079/step, 1.58763 hours remaining, 206.710938 MB of memory in use. ENERGY: 3114200 753.3101 2029.6988 1958.0378 128.2395 -206432.2815 18019.5790 0.0000 0.0000 33945.2417 -149598.1746 296.4522 -183543.4163 -149504.2451 297.5109 155.0860 187.0403 557654.1437 -5.3905 -5.3915 PRESSURE: 3114400 27.9716 -185.896 -95.7561 -185.897 117.99 94.4204 -95.755 94.4189 -11.8238 GPRESSURE: 3114400 117.381 -161.96 -52.3808 -191.464 136.145 79.1167 -67.4386 97.1686 -27.244 PRESSAVG: 3114400 -42.375 26.5043 -71.8056 26.5044 -15.3423 14.9796 -71.8057 14.9796 34.9963 GPRESSAVG: 3114400 -42.3461 23.5968 -70.7199 26.806 -14.6821 15.9276 -72.4261 16.0937 33.5218 TIMING: 3114400 CPU: 9303.36, 0.00302287/step Wall: 9303.36, 0.00302287/step, 1.58331 hours remaining, 206.710938 MB of memory in use. ENERGY: 3114400 745.6722 2095.2308 1930.5420 122.5359 -206956.5016 18083.1252 0.0000 0.0000 34077.9618 -149901.4338 297.6113 -183979.3956 -149811.6443 297.7874 44.7127 75.4275 556955.5246 -7.5737 -7.8355 PRESSURE: 3114600 -144.955 119.61 102.669 119.61 28.4973 -38.727 102.67 -38.7285 248.75 GPRESSURE: 3114600 -113.503 123.063 4.83856 -40.8145 63.5546 -127.275 23.6936 -109.918 276.538 PRESSAVG: 3114600 -33.4339 18.0126 -55.0255 18.0126 17.8137 47.6001 -55.0255 47.6 42.2307 GPRESSAVG: 3114600 -32.6235 17.7691 -55.6472 19.102 15.9982 46.8054 -56.3199 47.4408 42.8785 TIMING: 3114600 CPU: 9303.96, 0.00301099/step Wall: 9303.96, 0.00301099/step, 1.57692 hours remaining, 206.710938 MB of memory in use. ENERGY: 3114600 754.0114 2047.1374 1953.9453 103.1981 -206850.6727 18086.2361 0.0000 0.0000 34125.5331 -149780.6113 298.0268 -183906.1444 -149683.5946 297.1129 44.0974 75.5298 556890.2544 8.8702 8.7511 PRESSURE: 3114800 -27.6367 194.084 98.2382 194.084 -285.899 -113.574 98.2384 -113.573 -28.3294 GPRESSURE: 3114800 14.0596 268.181 33.1547 141.648 -292.671 -152.419 137.176 -153.387 30.6436 PRESSAVG: 3114800 -25.1201 -11.3178 -4.64932 -11.3178 -5.08405 6.1567 -4.64937 6.15674 68.2374 GPRESSAVG: 3114800 -25.9871 -10.0361 -5.66391 -10.2225 -4.88252 8.18369 -2.62068 6.28945 68.6828 TIMING: 3114800 CPU: 9304.57, 0.00302449/step Wall: 9304.57, 0.00302449/step, 1.58383 hours remaining, 206.710938 MB of memory in use. ENERGY: 3114800 721.4699 2092.9031 1948.0869 122.8860 -206158.5069 17507.6584 0.0000 0.0000 34071.8699 -149693.6329 297.5581 -183765.5027 -149597.6378 297.9698 -113.9549 -82.6560 558007.1183 12.6778 12.6044 PRESSURE: 3115000 9.53186 -8.25051 -51.9244 -8.25115 -120.833 -191.475 -51.9248 -191.475 -89.7601 GPRESSURE: 3115000 12.8106 -31.0048 -2.12547 -43.2365 -54.6669 -222.683 -0.537261 -112.971 -63.6352 PRESSAVG: 3115000 18.2874 48.742 -20.9699 48.742 -10.063 -46.6346 -20.9698 -46.6346 -1.13706 GPRESSAVG: 3115000 18.8974 48.6714 -20.1558 47.2538 -10.7683 -46.5782 -19.9688 -48.9716 -1.2255 TIMING: 3115000 CPU: 9305.17, 0.00300714/step Wall: 9305.17, 0.00300714/step, 1.57457 hours remaining, 206.710938 MB of memory in use. ENERGY: 3115000 730.2518 2012.6307 1938.4188 112.8802 -206159.0243 17720.8328 0.0000 0.0000 34030.8379 -149613.1720 297.1998 -183644.0099 -149516.4891 298.2239 -67.0205 -35.1639 558504.5620 2.3624 2.3012 PRESSURE: 3115200 31.6184 16.0417 65.0796 16.0412 -82.1019 108.227 65.0802 108.226 -99.9957 GPRESSURE: 3115200 34.5875 25.7209 56.7717 -9.30777 -60.5034 133.1 68.2053 -10.4031 -18.2507 PRESSAVG: 3115200 54.1757 -29.2393 24.1644 -29.2391 -72.7332 -14.8498 24.1645 -14.8499 -21.6977 GPRESSAVG: 3115200 53.2412 -29.4124 25.8292 -27.9049 -70.833 -14.1636 21.7525 -14.8751 -22.6099 TIMING: 3115200 CPU: 9305.78, 0.00306237/step Wall: 9305.78, 0.00306237/step, 1.60332 hours remaining, 206.710938 MB of memory in use. ENERGY: 3115200 758.2806 2068.7035 1963.5646 119.7396 -206705.0851 17973.6626 0.0000 0.0000 33960.8096 -149860.3247 296.5882 -183821.1342 -149769.9006 297.1905 -50.1598 -14.7222 557258.2065 -13.4184 -13.4005 PRESSURE: 3115400 56.1502 -96.4904 123.084 -96.4907 -15.574 108.097 123.084 108.096 -254.436 GPRESSURE: 3115400 58.2237 -56.4721 108.91 -181.846 -9.32013 147.408 70.6103 95.604 -170.088 PRESSAVG: 3115400 34.8607 14.0544 9.1908 14.0544 -20.6153 -20.796 9.19079 -20.7961 -27.8107 GPRESSAVG: 3115400 35.4712 13.4028 7.97001 12.3436 -21.0281 -21.0848 10.3772 -20.2225 -28.083 TIMING: 3115400 CPU: 9306.39, 0.00305146/step Wall: 9306.39, 0.00305146/step, 1.59744 hours remaining, 206.710938 MB of memory in use. ENERGY: 3115400 761.0113 2113.9355 1943.1689 127.3425 -206602.7652 17803.5732 0.0000 0.0000 34192.5065 -149661.2274 298.6117 -183853.7339 -149561.7899 297.7162 -71.2866 -40.3948 556794.2521 -4.5218 -4.5466 PRESSURE: 3115600 137.883 -59.6241 19.8846 -59.6236 246.042 -120.065 19.8849 -120.065 169.564 GPRESSURE: 3115600 164.769 -67.2275 7.22992 -19.4784 337.545 -116.65 -42.0166 -180.889 148.472 PRESSAVG: 3115600 43.9989 -48.9527 -8.51564 -48.9527 -63.9036 -28.5005 -8.51561 -28.5005 18.4115 GPRESSAVG: 3115600 43.0633 -47.797 -8.41363 -48.9979 -62.9818 -30.9728 -9.30221 -27.3299 18.733 TIMING: 3115600 CPU: 9306.99, 0.00301223/step Wall: 9306.99, 0.00301223/step, 1.57673 hours remaining, 206.710938 MB of memory in use. ENERGY: 3115600 730.3114 2101.0135 1966.5706 102.6267 -207059.6471 18076.1736 0.0000 0.0000 34423.2144 -149659.7369 300.6265 -184082.9513 -149562.5735 298.1398 184.4963 216.9290 554756.9006 -0.4977 -0.3952 PRESSURE: 3115800 245.103 25.4491 -11.6481 25.4483 -4.7829 -54.952 -11.6482 -54.9516 -102.012 GPRESSURE: 3115800 260.328 78.6822 -54.5849 68.2615 59.6672 -88.3715 -23.6384 -10.4737 -97.1547 PRESSAVG: 3115800 31.9693 5.17051 -1.0434 5.17053 -23.1478 13.7252 -1.04333 13.7252 1.58437 GPRESSAVG: 3115800 33.7633 3.31615 -1.75596 5.68229 -24.4852 13.9389 0.413671 14.9874 0.986862 TIMING: 3115800 CPU: 9307.6, 0.00304766/step Wall: 9307.6, 0.00304766/step, 1.59511 hours remaining, 206.710938 MB of memory in use. ENERGY: 3115800 746.0441 2105.7910 1957.2881 108.3901 -206917.4574 17915.1763 0.0000 0.0000 34297.4324 -149787.3354 299.5280 -184084.7678 -149691.6967 298.3655 46.1028 74.2801 556775.9156 3.4686 3.4216 PRESSURE: 3116000 26.2847 -43.594 -137.973 -43.5948 -174.731 -2.15401 -137.973 -2.15249 123.82 GPRESSURE: 3116000 34.4047 -67.048 -72.0005 43.2525 -117.026 -42.7336 -90.0918 -14.5912 165.873 PRESSAVG: 3116000 -14.5391 80.0016 -48.681 80.0017 21.7681 12.1164 -48.681 12.1164 1.05825 GPRESSAVG: 3116000 -15.6339 80.3165 -48.0578 79.8045 22.231 13.2275 -49.6688 10.9763 2.11751 TIMING: 3116000 CPU: 9308.22, 0.0030621/step Wall: 9308.22, 0.0030621/step, 1.6025 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: 3116000 781.4988 2117.9816 1969.4565 111.8850 -207037.4619 18023.1498 0.0000 0.0000 34255.5108 -149777.9793 299.1619 -184033.4901 -149688.7114 297.8199 -8.2090 27.7506 556340.7810 2.7624 2.9049 PRESSURE: 3116200 40.0478 6.52273 -104.048 6.52348 245.996 -60.3323 -104.049 -60.3321 85.0269 GPRESSURE: 3116200 79.2193 14.097 -58.2899 37.715 215.519 8.79515 -93.4028 -163.66 180.317 PRESSAVG: 3116200 -17.2017 35.3336 -50.6364 35.3335 -26.5548 43.8709 -50.6364 43.8709 71.6306 GPRESSAVG: 3116200 -17.4085 36.4704 -50.1006 35.8636 -26.1215 44.6252 -50.3225 44.1586 71.3509 TIMING: 3116200 CPU: 9308.83, 0.00308755/step Wall: 9308.83, 0.00308755/step, 1.61565 hours remaining, 206.710938 MB of memory in use. ENERGY: 3116200 731.2212 2101.9885 1989.0208 112.2730 -206705.8236 18060.5711 0.0000 0.0000 33996.3925 -149714.3566 296.8990 -183710.7491 -149620.1698 297.5027 123.6902 158.3516 556937.8731 9.2914 9.2736 LDB: ============= START OF LOAD BALANCING ============== 9312.27 LDB: ============== END OF LOAD BALANCING =============== 9312.27 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9312.27 LDB: ============= START OF LOAD BALANCING ============== 9312.58 LDB: Largest compute 4821 load 0.032391 is 27.5% of average load 0.117999 LDB: Average compute 0.001737 is 1.5% of average load 0.117999 LDB: TIME 9312.58 LOAD: AVG 0.117999 MAX 0.204896 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.004 MB LDB: TIME 9312.58 LOAD: AVG 0.117999 MAX 0.204896 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.004 MB LDB: TIME 9312.58 LOAD: AVG 0.117999 MAX 0.204896 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.004 MB LDB: ============== END OF LOAD BALANCING =============== 9312.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9312.59 PRESSURE: 3116400 -151.552 -11.1356 -22.7657 -11.1346 -18.6998 11.8535 -22.7661 11.8535 -187.011 GPRESSURE: 3116400 -70.989 112.702 -68.1021 -93.0831 -54.8647 65.474 9.59025 26.9438 -134.319 PRESSAVG: 3116400 26.3081 46.0931 4.60675 46.0931 -47.2549 57.885 4.60676 57.885 -8.10516 GPRESSAVG: 3116400 26.7094 44.6624 2.83035 45.9757 -48.1995 57.3001 5.41752 57.0442 -6.98826 TIMING: 3116400 CPU: 9309.46, 0.0031269/step Wall: 9309.46, 0.0031269/step, 1.63607 hours remaining, 205.429688 MB of memory in use. ENERGY: 3116400 799.2382 2089.0554 1941.4082 112.6016 -206637.1181 17842.3369 0.0000 0.0000 34235.0725 -149617.4053 298.9834 -183852.4778 -149516.5821 298.2243 -119.0877 -86.7243 559380.3549 -9.6840 -9.4928 PRESSURE: 3116600 -63.1995 126.576 69.8663 126.576 -16.0764 275.585 69.8678 275.585 241.355 GPRESSURE: 3116600 -16.8244 60.9651 140.843 78.862 40.8371 189.872 64.0988 309.352 237.627 PRESSAVG: 3116600 67.268 -24.9937 3.23166 -24.9938 -6.53664 -23.2621 3.23163 -23.2621 -38.6611 GPRESSAVG: 3116600 67.4079 -25.4772 3.35337 -24.3674 -5.15316 -24.4633 3.57582 -21.4959 -40.1931 TIMING: 3116600 CPU: 9310.06, 0.00302176/step Wall: 9310.06, 0.00302176/step, 1.58089 hours remaining, 205.429688 MB of memory in use. ENERGY: 3116600 756.8103 2085.5429 1957.4896 126.6507 -206967.3114 18089.2561 0.0000 0.0000 34232.8466 -149718.7152 298.9640 -183951.5618 -149616.9447 297.6133 54.0264 87.2131 557417.2670 7.3567 7.3539 PRESSURE: 3116800 56.8975 68.2019 110.235 68.2026 -140.064 50.6656 110.236 50.6655 -4.26549 GPRESSURE: 3116800 53.7468 20.7482 51.7223 50.567 -86.137 69.2739 53.6062 101.583 45.2616 PRESSAVG: 3116800 -8.22813 12.487 63.5546 12.487 16.3604 23.7285 63.5546 23.7285 7.45874 GPRESSAVG: 3116800 -8.68563 12.4206 64.917 13.8254 16.5183 22.8397 61.9802 23.5269 7.95041 TIMING: 3116800 CPU: 9310.67, 0.00303176/step Wall: 9310.67, 0.00303176/step, 1.58595 hours remaining, 205.429688 MB of memory in use. ENERGY: 3116800 756.9121 2053.6951 1925.7400 118.0180 -206667.6492 17876.3374 0.0000 0.0000 34247.2322 -149689.7143 299.0896 -183936.9465 -149596.2945 297.7732 -29.1442 4.2905 557069.1241 5.1970 5.2610 PRESSURE: 3117000 51.8485 -47.1574 90.1346 -47.1583 21.759 -10.8533 90.1355 -10.8548 -104.954 GPRESSURE: 3117000 109.511 -27.1682 106.84 -29.7518 22.6601 -29.5653 107.847 -5.22515 -60.7336 PRESSAVG: 3117000 20.3959 -4.20168 -50.6168 -4.20174 -12.0803 58.2206 -50.6168 58.2207 -38.7749 GPRESSAVG: 3117000 21.8271 -3.93309 -48.3524 -5.53924 -13.886 58.4048 -51.086 57.8945 -38.0874 TIMING: 3117000 CPU: 9311.28, 0.00303728/step Wall: 9311.28, 0.00303728/step, 1.58867 hours remaining, 205.429688 MB of memory in use. ENERGY: 3117000 748.3033 2134.4919 1945.1578 117.6216 -206763.5132 18037.0687 0.0000 0.0000 34311.4118 -149469.4582 299.6501 -183780.8700 -149369.9779 298.5094 -10.4490 23.8124 557163.1323 -10.1531 -10.0488 PRESSURE: 3117200 79.9938 -38.6658 -52.7703 -38.666 -253.862 61.3881 -52.77 61.3891 -166.201 GPRESSURE: 3117200 103.527 -28.5151 -56.8629 -82.5192 -216.499 41.7047 -38.1963 100.77 -145.569 PRESSAVG: 3117200 31.3038 -6.21339 -46.3549 -6.21341 -24.2209 -10.2569 -46.355 -10.2569 26.4341 GPRESSAVG: 3117200 29.514 -4.41102 -49.8121 -7.17443 -23.3337 -9.01639 -43.6277 -9.78777 26.6642 TIMING: 3117200 CPU: 9311.89, 0.00303806/step Wall: 9311.89, 0.00303806/step, 1.5889 hours remaining, 205.429688 MB of memory in use. ENERGY: 3117200 745.2633 2083.2941 1949.1407 121.1114 -205968.5826 17567.1531 0.0000 0.0000 34105.6505 -149396.9694 297.8531 -183502.6199 -149293.9767 299.0295 -113.3563 -86.1805 558609.6406 11.1724 10.9482 PRESSURE: 3117400 11.4225 253.291 -20.0726 253.292 107.997 126.218 -20.0721 126.217 -38.3408 GPRESSURE: 3117400 66.2744 305.449 34.0974 226.396 155.881 86.7358 -88.9045 99.665 -47.2647 PRESSAVG: 3117400 -31.9519 85.8888 -37.8266 85.8888 52.2089 -6.57557 -37.8267 -6.57552 -28.1388 GPRESSAVG: 3117400 -31.4117 83.8681 -36.9349 86.6171 53.9273 -8.65872 -38.7199 -6.58459 -30.2773 TIMING: 3117400 CPU: 9312.49, 0.00303212/step Wall: 9312.49, 0.00303212/step, 1.58563 hours remaining, 205.429688 MB of memory in use. ENERGY: 3117400 746.2180 2082.5544 1964.1603 117.9238 -206688.8684 17898.6214 0.0000 0.0000 34422.0729 -149457.3177 300.6165 -183879.3906 -149351.6031 299.1257 27.0261 58.2970 557897.9839 -2.6273 -2.5872 PRESSURE: 3117600 6.51374 -95.9401 -212.24 -95.9406 129.468 24.1628 -212.239 24.1623 145.85 GPRESSURE: 3117600 76.3703 2.146 -267.906 -123.929 135.011 65.4519 -172.17 -29.8296 173.174 PRESSAVG: 3117600 -46.819 77.1981 0.051676 77.1982 15.8219 19.1517 0.051697 19.1516 1.12457 GPRESSAVG: 3117600 -46.6383 77.9913 1.12719 77.1912 14.3977 21.2613 -1.55273 19.1965 2.83306 TIMING: 3117600 CPU: 9313.1, 0.0030268/step Wall: 9313.1, 0.0030268/step, 1.58268 hours remaining, 205.429688 MB of memory in use. ENERGY: 3117600 728.5665 2114.0863 1929.9055 125.7333 -206860.5546 18195.4753 0.0000 0.0000 34314.9571 -149451.8305 299.6811 -183766.7876 -149360.3945 298.4408 93.9440 128.1849 557427.3183 -9.9575 -9.8025 PRESSURE: 3117800 -9.59555 -69.2516 -88.352 -69.2524 55.2846 -16.5234 -88.3511 -16.5233 8.67837 GPRESSURE: 3117800 48.3547 -103.897 -120.285 -72.1318 59.1681 -1.96125 -73.1246 -0.743485 32.4434 PRESSAVG: 3117800 -1.97388 -42.9006 -47.3371 -42.9007 -13.5037 8.22983 -47.3371 8.23 37.751 GPRESSAVG: 3117800 -2.64068 -42.4318 -46.7555 -44.263 -12.4567 8.61143 -47.6662 6.92776 37.742 TIMING: 3117800 CPU: 9313.7, 0.00301981/step Wall: 9313.7, 0.00301981/step, 1.57886 hours remaining, 205.429688 MB of memory in use. ENERGY: 3117800 752.5242 2092.2009 1944.9824 113.6912 -206577.1199 17898.6063 0.0000 0.0000 34450.2982 -149324.8166 300.8630 -183775.1149 -149227.9578 298.7523 18.1225 46.6554 558388.1697 7.4245 7.5482 PRESSURE: 3118000 -30.9994 102.623 -62.2859 102.624 -4.79941 134.191 -62.2859 134.19 58.8838 GPRESSURE: 3118000 -21.9275 126.9 -21.4033 84.4812 53.6283 102.924 -77.5306 139.226 86.6462 PRESSAVG: 3118000 80.739 22.2472 -28.3691 22.2473 -47.1598 23.7779 -28.3692 23.7778 -64.0848 GPRESSAVG: 3118000 82.0137 21.9744 -29.4045 23.1706 -48.72 23.4349 -26.7123 22.8761 -63.3165 TIMING: 3118000 CPU: 9314.31, 0.00303538/step Wall: 9314.31, 0.00303538/step, 1.58683 hours remaining, 205.429688 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: 3118000 769.6306 2083.2201 1910.3595 119.7338 -206142.1738 17866.1009 0.0000 0.0000 34170.3620 -149222.7669 298.4183 -183393.1289 -149131.9618 299.0629 7.6950 39.4490 557852.4824 -10.1685 -10.0076 PRESSURE: 3118200 -389.677 -83.4261 137.013 -83.4271 143.015 -252.538 137.014 -252.537 72.4018 GPRESSURE: 3118200 -314.561 -107.612 102.924 -86.7558 129.366 -192.324 127.52 -221.132 103.829 PRESSAVG: 3118200 -26.9405 15.8568 -65.0368 15.8567 -6.36266 25.389 -65.0368 25.3891 9.5952 GPRESSAVG: 3118200 -27.8559 15.4054 -66.7073 16.4286 -4.49529 24.0196 -65.6681 26.0605 8.88837 TIMING: 3118200 CPU: 9314.91, 0.00302022/step Wall: 9314.91, 0.00302022/step, 1.57874 hours remaining, 205.429688 MB of memory in use. ENERGY: 3118200 774.0396 2110.8088 1930.1162 122.9452 -206566.8904 17993.0368 0.0000 0.0000 34323.8247 -149312.1192 299.7585 -183635.9439 -149220.2796 298.9852 -58.0870 -27.1223 557841.5036 -7.9027 -7.8210 PRESSURE: 3118400 299.414 221.024 128.515 221.023 64.6225 -3.23549 128.516 -3.23676 125.141 GPRESSURE: 3118400 334.448 195.341 5.7219 203.461 140.497 -82.0295 169.632 69.1899 112.129 PRESSAVG: 3118400 30.2273 5.51733 29.0398 5.51734 -42.9157 3.49317 29.0399 3.49306 -0.54742 GPRESSAVG: 3118400 30.1909 6.62486 30.8142 4.83002 -41.5005 4.71114 30.3663 4.35202 -1.49816 TIMING: 3118400 CPU: 9315.51, 0.00300584/step Wall: 9315.51, 0.00300584/step, 1.57105 hours remaining, 205.429688 MB of memory in use. ENERGY: 3118400 738.4422 1987.2432 1957.4568 116.0344 -206531.3541 18180.6781 0.0000 0.0000 34096.1543 -149455.3451 297.7702 -183551.4994 -149364.5153 298.2197 163.0593 195.6912 556215.8085 -4.4119 -4.2692 PRESSURE: 3118600 -92.9311 97.8812 25.5323 97.8808 -295.724 -27.3564 25.5311 -27.3572 -12.7067 GPRESSURE: 3118600 -61.9526 47.3138 53.6 136.458 -199.933 -23.1622 45.7336 -7.57756 -35.5705 PRESSAVG: 3118600 3.35638 -23.1292 18.5944 -23.1292 20.8132 21.9812 18.5944 21.9813 -3.57119 GPRESSAVG: 3118600 3.45519 -24.0724 17.2368 -24.543 20.749 20.1469 18.4024 21.5422 -3.20018 TIMING: 3118600 CPU: 9316.12, 0.00303352/step Wall: 9316.12, 0.00303352/step, 1.58535 hours remaining, 205.429688 MB of memory in use. ENERGY: 3118600 726.5434 2111.8753 1918.2591 110.6178 -205699.6456 17554.3523 0.0000 0.0000 33996.7936 -149281.2041 296.9025 -183277.9977 -149186.3441 298.2687 -133.7871 -99.1521 559008.4819 6.8661 7.0013 PRESSURE: 3118800 49.7659 234.717 -33.6608 234.716 4.83722 95.2483 -33.6618 95.2476 -6.8868 GPRESSURE: 3118800 89.9021 209.67 32.3315 196.971 24.2311 76.4608 -15.4869 76.4351 40.7637 PRESSAVG: 3118800 -43.6045 27.6964 21.5086 27.6964 -19.1438 60.5062 21.5085 60.5063 35.5232 GPRESSAVG: 3118800 -43.0559 27.7586 22.1584 29.5422 -19.9776 60.5222 20.1486 61.7448 35.6769 TIMING: 3118800 CPU: 9316.72, 0.00301917/step Wall: 9316.72, 0.00301917/step, 1.57768 hours remaining, 205.429688 MB of memory in use. ENERGY: 3118800 688.8354 2110.2360 1954.7548 97.7031 -205811.5855 17651.4660 0.0000 0.0000 33995.7113 -149312.8788 296.8930 -183308.5901 -149219.9240 299.0065 15.9054 51.6323 558548.6496 -9.0750 -9.1189 PRESSURE: 3119000 -269.468 -13.43 -149.855 -13.43 -179.039 5.77832 -149.855 5.77936 -106.867 GPRESSURE: 3119000 -266.048 -77.5571 -123.91 49.7698 -145.271 -27.0989 -67.7775 35.4762 -41.8197 PRESSAVG: 3119000 -58.1847 -2.21188 -2.32316 -2.2119 42.0627 23.2667 -2.32311 23.2667 39.3753 GPRESSAVG: 3119000 -58.8329 -1.61482 -1.96637 -1.7252 42.2786 22.2403 -2.18885 22.006 40.2965 TIMING: 3119000 CPU: 9317.33, 0.00302244/step Wall: 9317.33, 0.00302244/step, 1.57922 hours remaining, 205.429688 MB of memory in use. ENERGY: 3119000 737.6040 2079.5409 1956.0658 113.5522 -205982.4556 17554.2544 0.0000 0.0000 34195.6304 -149345.8080 298.6389 -183541.4383 -149243.3102 299.2675 -185.1247 -151.0464 557879.5414 7.7511 7.9141 PRESSURE: 3119200 -74.596 37.0648 -80.0869 37.0637 -74.7284 20.9094 -80.0877 20.9097 146.21 GPRESSURE: 3119200 -48.9541 30.8596 -70.8846 41.2567 -10.5861 55.8905 -87.1171 -14.7115 158.244 PRESSAVG: 3119200 5.45836 -45.9412 -2.72318 -45.9411 -13.0882 -58.3591 -2.72305 -58.3592 14.5647 GPRESSAVG: 3119200 5.98972 -46.6458 -0.454248 -47.2691 -12.6484 -55.9907 -4.01737 -58.4398 13.1458 TIMING: 3119200 CPU: 9317.93, 0.00300773/step Wall: 9317.93, 0.00300773/step, 1.57137 hours remaining, 205.429688 MB of memory in use. ENERGY: 3119200 717.0838 2034.2110 1938.1664 114.9575 -206502.4906 17951.0499 0.0000 0.0000 34358.5152 -149388.5069 300.0615 -183747.0221 -149291.5242 299.1995 -1.0381 32.9012 557666.7442 2.3116 2.1623 PRESSURE: 3119400 -39.3688 9.16894 -3.44718 9.1692 -55.9685 312.018 -3.4479 312.019 16.2459 GPRESSURE: 3119400 -2.9162 10.2081 -20.9804 20.3641 16.9364 322.42 -15.1488 280.231 -3.44638 PRESSAVG: 3119400 41.313 -26.8896 12.5545 -26.8895 -40.3114 -27.0014 12.5544 -27.0015 15.8332 GPRESSAVG: 3119400 41.4319 -24.6673 11.5091 -27.5203 -41.4987 -27.0709 14.5392 -28.8291 16.9907 TIMING: 3119400 CPU: 9318.54, 0.00302796/step Wall: 9318.54, 0.00302796/step, 1.58177 hours remaining, 205.429688 MB of memory in use. ENERGY: 3119400 710.0037 2122.2570 1937.5065 105.6986 -206326.6554 17809.5769 0.0000 0.0000 34177.1829 -149464.4298 298.4778 -183641.6127 -149365.8174 298.1586 -26.3638 3.5246 558521.9313 5.6116 5.6413 PRESSURE: 3119600 -191.108 -106.156 32.8003 -106.156 -103.464 -41.258 32.8002 -41.2582 179.67 GPRESSURE: 3119600 -75.7322 -180.357 -51.4056 -85.7047 -98.8534 -134.108 75.5681 -33.2212 157.102 PRESSAVG: 3119600 1.3857 -49.4731 50.4829 -49.4731 -32.4645 9.50799 50.4829 9.50796 2.76824 GPRESSAVG: 3119600 2.16474 -51.0583 51.5589 -49.525 -30.9393 6.36146 50.4242 12.5626 1.02754 TIMING: 3119600 CPU: 9319.15, 0.00305676/step Wall: 9319.15, 0.00305676/step, 1.59665 hours remaining, 205.429688 MB of memory in use. ENERGY: 3119600 753.7904 2082.8839 1955.1221 107.7880 -206807.5474 18180.0724 0.0000 0.0000 34134.2787 -149593.6119 298.1031 -183727.8905 -149509.2503 298.3100 -38.3007 -5.8281 559236.5406 -9.4368 -9.2490 PRESSURE: 3119800 224.384 -76.4355 21.8846 -76.4365 155.412 5.84873 21.8838 5.84846 221.008 GPRESSURE: 3119800 329.41 -45.7394 -97.9141 -96.6606 73.9718 -7.51223 78.5689 -43.1973 288.209 PRESSAVG: 3119800 30.594 -87.9337 53.9564 -87.9338 -44.4537 1.04188 53.9563 1.04186 45.457 GPRESSAVG: 3119800 30.2627 -88.1301 49.5332 -85.2896 -44.6632 4.35714 54.7323 -2.56895 46.2478 TIMING: 3119800 CPU: 9319.75, 0.00300903/step Wall: 9319.75, 0.00300903/step, 1.57155 hours remaining, 205.429688 MB of memory in use. ENERGY: 3119800 749.4547 2139.6668 1939.8892 113.7570 -206897.2237 18280.1229 0.0000 0.0000 34227.3270 -149447.0061 298.9158 -183674.3331 -149352.8521 298.4507 200.2681 230.5304 558348.2491 10.5324 10.6158 PRESSURE: 3120000 92.0251 17.0459 108.922 17.0455 61.8169 -89.4922 108.921 -89.4909 -60.7181 GPRESSURE: 3120000 136.672 14.4884 138.761 27.5287 92.6769 -23.5438 170.955 -59.7967 -22.189 PRESSAVG: 3120000 43.1698 -46.8302 32.9785 -46.8302 -11.2078 -10.6805 32.9785 -10.6805 -47.5723 GPRESSAVG: 3120000 42.8158 -48.3174 35.2266 -46.7584 -10.527 -10.3228 32.5209 -10.9064 -47.7072 TIMING: 3120000 CPU: 9320.35, 0.00300197/step Wall: 9320.35, 0.00300197/step, 1.56769 hours remaining, 205.429688 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: 3120000 736.6065 2111.1373 1962.0563 119.7737 -206445.5593 17922.6184 0.0000 0.0000 34268.2093 -149325.1577 299.2728 -183593.3670 -149227.8086 298.7016 31.0413 69.0533 557973.5257 -5.2034 -5.1394 PRESSURE: 3120200 -53.4737 -101.436 85.8064 -101.436 188.458 91.8254 85.8065 91.8235 -85.5476 GPRESSURE: 3120200 16.1579 -130.711 75.0985 -143.948 181.341 80.0444 139.766 48.306 -51.5292 PRESSAVG: 3120200 47.9033 -22.4939 19.3301 -22.4938 20.8338 13.8464 19.3301 13.8465 -45.4447 GPRESSAVG: 3120200 48.9284 -21.3637 18.9614 -23.7613 20.2663 12.1685 19.3966 15.4677 -46.1939 TIMING: 3120200 CPU: 9320.95, 0.00302284/step Wall: 9320.95, 0.00302284/step, 1.57842 hours remaining, 205.429688 MB of memory in use. ENERGY: 3120200 789.4974 2154.5018 1933.7289 100.1987 -206483.3573 17941.9264 0.0000 0.0000 34167.7904 -149395.7137 298.3958 -183563.5041 -149304.0757 298.8742 16.4789 48.6565 556694.9124 7.7642 7.6669 LDB: ============= START OF LOAD BALANCING ============== 9324.39 LDB: ============== END OF LOAD BALANCING =============== 9324.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9324.39 LDB: ============= START OF LOAD BALANCING ============== 9324.69 LDB: Largest compute 4821 load 0.030414 is 25.8% of average load 0.118077 LDB: Average compute 0.001738 is 1.5% of average load 0.118077 LDB: TIME 9324.69 LOAD: AVG 0.118077 MAX 0.207 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 9324.69 LOAD: AVG 0.118077 MAX 0.207 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: TIME 9324.69 LOAD: AVG 0.118077 MAX 0.207 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: ============== END OF LOAD BALANCING =============== 9324.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9324.7 PRESSURE: 3120400 355.543 15.3204 157.62 15.3207 97.2066 164.546 157.62 164.547 -41.7503 GPRESSURE: 3120400 422.175 40.3829 229.076 -23.4011 137.066 197.368 100.915 103.133 -52.2247 PRESSAVG: 3120400 26.5201 -40.2778 55.1414 -40.2778 28.1768 47.5841 55.1413 47.584 -28.2835 GPRESSAVG: 3120400 26.2135 -41.1781 57.0359 -37.9884 26.9109 50.1295 53.5255 45.9 -27.0439 TIMING: 3120400 CPU: 9321.57, 0.00308499/step Wall: 9321.57, 0.00308499/step, 1.61071 hours remaining, 205.675781 MB of memory in use. ENERGY: 3120400 699.6324 2104.0892 1928.5061 102.9990 -206427.4723 18095.9366 0.0000 0.0000 34087.2911 -149409.0179 297.6928 -183496.3090 -149313.0137 299.3879 136.9997 169.0055 559074.6976 8.8045 8.6935 PRESSURE: 3120600 172.901 -12.2968 32.6804 -12.2965 -31.7176 -229.221 32.6805 -229.221 -26.6366 GPRESSURE: 3120600 231.947 -31.9512 39.082 -46.2965 -51.4355 -242.597 -11.9041 -197.047 22.1863 PRESSAVG: 3120600 40.3694 -10.5863 2.82166 -10.5863 -22.7868 10.9227 2.82172 10.9226 -40.1369 GPRESSAVG: 3120600 40.9585 -8.96361 1.63087 -12.4104 -22.1194 9.12116 2.74094 12.6014 -41.5944 TIMING: 3120600 CPU: 9322.18, 0.0030434/step Wall: 9322.18, 0.0030434/step, 1.58882 hours remaining, 205.875000 MB of memory in use. ENERGY: 3120600 728.0416 2023.7752 1938.7410 108.2275 -206564.0820 18004.2004 0.0000 0.0000 34328.7611 -149432.3352 299.8016 -183761.0963 -149334.0423 298.6066 38.1823 67.5658 558856.1809 -7.5181 -7.5851 PRESSURE: 3120800 21.4464 -90.1724 -22.8875 -90.1728 55.0396 -55.02 -22.888 -55.0205 320.498 GPRESSURE: 3120800 120.064 -12.8909 76.5461 -92.0813 84.8852 -85.0625 -39.2281 -42.5769 279.426 PRESSAVG: 3120800 64.8977 35.0591 -6.13808 35.0592 0.587879 -57.6438 -6.13806 -57.6438 -47.267 GPRESSAVG: 3120800 64.2523 33.9267 -6.64544 36.2231 0.388815 -58.9124 -6.39513 -56.1831 -46.8082 TIMING: 3120800 CPU: 9322.79, 0.00303116/step Wall: 9322.79, 0.00303116/step, 1.58227 hours remaining, 205.875000 MB of memory in use. ENERGY: 3120800 728.6722 2123.8078 1967.2508 103.9755 -206546.8057 18114.1196 0.0000 0.0000 34254.1003 -149254.8794 299.1496 -183508.9797 -149164.3240 299.3745 132.3280 161.4583 558202.9393 6.0728 5.9443 PRESSURE: 3121000 -35.2087 -229.406 -17.5544 -229.406 -68.0723 143.114 -17.5549 143.113 -37.1617 GPRESSURE: 3121000 5.42389 -179.148 -46.2404 -254.617 -60.5806 147.498 -3.47977 102.534 8.13712 PRESSAVG: 3121000 -20.5542 -34.1441 -11.564 -34.1441 -2.29652 35.3671 -11.564 35.367 -20.4749 GPRESSAVG: 3121000 -18.7003 -33.2298 -8.90606 -36.9621 -1.88601 36.7686 -11.736 32.7925 -22.2115 TIMING: 3121000 CPU: 9323.4, 0.00304974/step Wall: 9323.4, 0.00304974/step, 1.5918 hours remaining, 205.875000 MB of memory in use. ENERGY: 3121000 750.9326 2103.3995 1952.5478 103.0507 -206163.9264 17756.9681 0.0000 0.0000 34328.9833 -149168.0443 299.8035 -183497.0276 -149066.7944 299.3968 -46.8142 -15.6732 559070.0191 -14.4419 -14.2659 PRESSURE: 3121200 239.064 19.0228 229.119 19.0235 12.1619 -36.2356 229.12 -36.2365 99.4022 GPRESSURE: 3121200 255.797 24.3268 249.811 -24.2936 49.889 -39.71 145.604 -65.3958 138.262 PRESSAVG: 3121200 15.6033 -44.364 45.456 -44.3641 4.28274 16.4956 45.456 16.4955 -16.876 GPRESSAVG: 3121200 14.1994 -43.9664 45.1453 -43.1552 3.97655 14.1749 44.7102 18.3355 -15.0938 TIMING: 3121200 CPU: 9324.01, 0.0030537/step Wall: 9324.01, 0.0030537/step, 1.59369 hours remaining, 205.875000 MB of memory in use. ENERGY: 3121200 725.7750 2036.4216 1925.9685 108.6183 -206341.2372 17944.4988 0.0000 0.0000 34321.8325 -149278.1225 299.7411 -183599.9550 -149172.6791 299.4394 116.8760 147.9826 558149.4911 1.0034 1.0274 PRESSURE: 3121400 -181.898 96.4922 10.2607 96.494 53.6338 128.118 10.2595 128.12 -166.975 GPRESSURE: 3121400 -154.646 63.4592 -9.59551 64.7523 103.46 162.375 -48.8325 126.377 -161.655 PRESSAVG: 3121400 23.9603 -5.03457 -21.9666 -5.03468 -14.8458 22.1109 -21.9667 22.111 3.50072 GPRESSAVG: 3121400 23.967 -6.34319 -21.7068 -5.39221 -14.477 24.7682 -21.6039 21.1867 2.92747 TIMING: 3121400 CPU: 9324.61, 0.0030214/step Wall: 9324.61, 0.0030214/step, 1.57667 hours remaining, 205.941406 MB of memory in use. ENERGY: 3121400 755.7096 2085.5981 1907.1837 114.5933 -205893.1349 17533.8012 0.0000 0.0000 34345.9432 -149150.3057 299.9517 -183496.2489 -149059.0079 298.7350 -98.4131 -70.9468 556625.7170 4.2051 4.1392 PRESSURE: 3121600 -144.028 158.685 17.4394 158.685 -180.481 -38.3898 17.4406 -38.3901 -143.737 GPRESSURE: 3121600 -129.981 134.868 25.5365 97.802 -126.704 -95.3406 64.217 -70.0855 -113.8 PRESSAVG: 3121600 -41.0323 36.0214 -33.7557 36.0214 34.4143 -18.7813 -33.7557 -18.7814 -5.84355 GPRESSAVG: 3121600 -41.546 35.8209 -35.3307 37.5985 34.0312 -20.2914 -33.1436 -18.5498 -5.60877 TIMING: 3121600 CPU: 9325.22, 0.00304076/step Wall: 9325.22, 0.00304076/step, 1.5866 hours remaining, 205.941406 MB of memory in use. ENERGY: 3121600 796.2541 2135.5759 1933.8669 109.5003 -205846.1161 17438.9701 0.0000 0.0000 34190.8430 -149241.1057 298.5971 -183431.9487 -149150.1383 299.5282 -156.0820 -123.4947 557281.9209 -4.1539 -4.3745 PRESSURE: 3121800 -257.466 -116.274 76.4348 -116.275 21.0795 26.3781 76.434 26.3789 -305.161 GPRESSURE: 3121800 -198.687 -37.5054 69.1832 -94.5277 43.2168 -49.6447 122.154 76.6301 -295.327 PRESSAVG: 3121800 -21.1163 14.2327 -23.1636 14.2327 5.58363 -2.09274 -23.1636 -2.0928 30.0052 GPRESSAVG: 3121800 -20.217 14.31 -23.549 12.1491 4.95116 -2.1552 -22.684 -0.345493 30.2916 TIMING: 3121800 CPU: 9325.83, 0.00306345/step Wall: 9325.83, 0.00306345/step, 1.59827 hours remaining, 205.941406 MB of memory in use. ENERGY: 3121800 767.2728 2107.7435 1941.3314 123.8454 -206180.1510 17591.9840 0.0000 0.0000 34126.2031 -149521.7708 298.0326 -183647.9739 -149426.8177 298.8340 -180.5157 -150.2656 558022.1117 4.8242 5.0086 PRESSURE: 3122000 153.354 -23.7055 -146.715 -23.7063 272.901 84.0396 -146.714 84.0403 339.898 GPRESSURE: 3122000 199.933 8.62151 -172.989 -14.4707 295.327 -15.4036 -239.79 84.0263 360.062 PRESSAVG: 3122000 -2.17322 -7.28631 12.9584 -7.28637 -37.693 15.4501 12.9585 15.4499 30.1063 GPRESSAVG: 3122000 -1.86457 -7.36631 14.1342 -4.57445 -37.6572 15.8933 12.6254 14.0691 29.6408 TIMING: 3122000 CPU: 9326.45, 0.00308352/step Wall: 9326.45, 0.00308352/step, 1.60857 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: 3122000 745.9361 2018.8908 1933.0346 108.7585 -206829.8130 18221.5424 0.0000 0.0000 34324.3581 -149477.2925 299.7632 -183801.6505 -149377.8166 298.4638 255.3842 285.1072 555618.4985 -3.2533 -3.2937 PRESSURE: 3122200 79.899 -21.9543 43.3672 -21.9533 140.554 39.7427 43.3671 39.7444 322.965 GPRESSURE: 3122200 66.3691 -81.5996 73.754 26.988 158.585 57.8191 19.9192 45.2861 422.483 PRESSAVG: 3122200 -87.5235 -36.7098 -28.1303 -36.7098 9.08111 21.8257 -28.1303 21.8258 123.866 GPRESSAVG: 3122200 -88.6074 -36.7543 -28.0198 -37.662 9.77734 23.7538 -28.8294 20.8814 124.051 TIMING: 3122200 CPU: 9327.05, 0.00303268/step Wall: 9327.05, 0.00303268/step, 1.58188 hours remaining, 205.941406 MB of memory in use. ENERGY: 3122200 745.7967 2082.7558 1936.3920 117.2546 -206708.9273 18140.2011 0.0000 0.0000 34242.8888 -149443.6382 299.0517 -183686.5270 -149354.6607 297.8449 181.1394 215.8125 556743.2249 15.1412 15.0735 PRESSURE: 3122400 126.627 5.77085 -0.92472 5.76989 -98.3674 5.2083 -0.923989 5.209 -124.849 GPRESSURE: 3122400 142.591 -26.7807 -20.9893 5.10999 -10.6801 -14.8081 37.0006 -90.0527 -119.681 PRESSAVG: 3122400 -13.9425 -14.8782 -57.9217 -14.8782 -58.4289 37.2333 -57.9217 37.2335 51.8387 GPRESSAVG: 3122400 -12.6993 -14.4773 -59.6853 -15.668 -58.7503 35.0902 -56.0952 38.3617 51.2388 TIMING: 3122400 CPU: 9327.66, 0.00304269/step Wall: 9327.66, 0.00304269/step, 1.58693 hours remaining, 205.941406 MB of memory in use. ENERGY: 3122400 729.3593 2108.7980 1919.8155 115.8417 -206009.6851 17669.2855 0.0000 0.0000 34213.8688 -149252.7164 298.7982 -183466.5852 -149151.8358 298.3661 -32.1964 4.0766 559136.5372 -6.8443 -6.7370 PRESSURE: 3122600 -22.0631 187.328 -66.9559 187.328 121.864 -8.94384 -66.9539 -8.94536 176.021 GPRESSURE: 3122600 -8.69694 148.944 -142.041 218.801 140.594 -9.02001 -20.1488 -66.427 230.858 PRESSAVG: 3122600 -59.223 -41.9996 -43.5167 -41.9996 -63.7917 -25.7284 -43.5166 -25.7284 117.558 GPRESSAVG: 3122600 -61.214 -40.9528 -42.2202 -43.2417 -63.0885 -25.6966 -42.2045 -26.5046 118.855 TIMING: 3122600 CPU: 9328.27, 0.00303922/step Wall: 9328.27, 0.00303922/step, 1.58496 hours remaining, 205.941406 MB of memory in use. ENERGY: 3122600 709.6025 2110.5355 1981.3372 119.6450 -206361.1836 17857.3192 0.0000 0.0000 34223.0502 -149359.6939 298.8784 -183582.7441 -149255.0075 299.9157 91.9407 120.9182 557644.6051 -1.8191 -1.8160 PRESSURE: 3122800 176.467 -128.393 -160.638 -128.394 124.74 -122.521 -160.638 -122.521 -62.5519 GPRESSURE: 3122800 208.758 14.7836 -154.413 -179.52 185.278 -27.2739 -103.247 -142 -51.4049 PRESSAVG: 3122800 -25.872 -16.5413 -41.8356 -16.5413 -38.8292 17.9995 -41.8355 17.9994 49.2892 GPRESSAVG: 3122800 -25.7774 -16.6974 -40.1494 -15.5079 -38.0402 19.5952 -45.1534 18.7397 48.2329 TIMING: 3122800 CPU: 9328.88, 0.00303362/step Wall: 9328.88, 0.00303362/step, 1.58187 hours remaining, 205.941406 MB of memory in use. ENERGY: 3122800 779.3014 2078.2794 1918.6381 101.9333 -206654.7425 18019.1611 0.0000 0.0000 34317.2077 -149440.2215 299.7007 -183757.4291 -149339.6559 298.0175 79.5519 114.2102 557931.9068 -5.1373 -5.1949 PRESSURE: 3123000 70.4143 -53.9356 -130.972 -53.9355 -62.6757 128.147 -130.972 128.148 -122.665 GPRESSURE: 3123000 72.9829 -101.683 -132.61 -51.1228 -7.8448 229.287 -96.8898 91.9872 -78.8305 PRESSAVG: 3123000 16.2614 -27.3143 -30.2885 -27.3144 4.59974 -0.822352 -30.2885 -0.822412 -11.5677 GPRESSAVG: 3123000 17.0564 -27.5599 -31.6918 -28.4653 4.23737 -1.32816 -31.0019 -2.44267 -12.1336 TIMING: 3123000 CPU: 9329.48, 0.00301319/step Wall: 9329.48, 0.00301319/step, 1.57104 hours remaining, 205.941406 MB of memory in use. ENERGY: 3123000 771.5266 2129.3885 1944.8981 114.1184 -206210.8517 17779.4511 0.0000 0.0000 33946.3501 -149525.1190 296.4619 -183471.4690 -149427.0461 298.6203 -38.3089 -4.5641 556744.8165 3.0978 3.0534 PRESSURE: 3123200 -56.1496 87.5446 93.244 87.5441 -246.538 301.004 93.2428 301.005 -182.218 GPRESSURE: 3123200 -8.05382 57.4324 66.7363 200.561 -192.615 306.757 110.332 300.476 -168.528 PRESSAVG: 3123200 16.375 37.1827 -13.8302 37.1827 12.1295 62.8602 -13.8303 62.8601 -49.5272 GPRESSAVG: 3123200 15.5956 37.0279 -13.8217 37.8958 12.4307 61.4505 -9.84927 64.6127 -49.2781 TIMING: 3123200 CPU: 9330.08, 0.0030045/step Wall: 9330.08, 0.0030045/step, 1.56634 hours remaining, 205.941406 MB of memory in use. ENERGY: 3123200 728.7874 2115.2853 1942.6161 112.7955 -206135.2278 17593.5765 0.0000 0.0000 34026.7952 -149615.3719 297.1645 -183642.1670 -149513.0335 298.1297 -161.6355 -123.0658 558814.9910 -7.0076 -7.0839 PRESSURE: 3123400 54.8331 -66.0958 -0.68195 -66.0967 70.8274 198.01 -0.681045 198.011 -154.835 GPRESSURE: 3123400 77.477 -69.464 38.4175 -62.7912 106.592 168.736 -31.3965 185.188 -113.768 PRESSAVG: 3123400 -48.4224 -29.3374 7.04597 -29.3374 44.3344 -15.914 7.04609 -15.9139 -30.8801 GPRESSAVG: 3123400 -47.4737 -26.5229 7.22009 -29.9559 42.412 -15.2955 5.84903 -17.8781 -29.9505 TIMING: 3123400 CPU: 9330.68, 0.00299817/step Wall: 9330.68, 0.00299817/step, 1.56288 hours remaining, 205.941406 MB of memory in use. ENERGY: 3123400 745.4250 2115.7556 1916.1078 124.3576 -206812.7422 17952.7782 0.0000 0.0000 34319.5591 -149638.7588 299.7212 -183958.3179 -149537.2358 297.5184 -9.7248 23.4337 557860.1192 -11.6561 -11.6707 PRESSURE: 3123600 -300.529 78.5781 -114.213 78.579 -204.369 -0.950027 -114.213 -0.952069 -354.326 GPRESSURE: 3123600 -355.456 210.461 -66.5624 72.9833 -122.896 12.5643 -108.056 -47.2384 -285.413 PRESSAVG: 3123600 -32.8585 -19.5461 -6.9706 -19.5461 34.2572 42.9508 -6.97063 42.9506 -22.6337 GPRESSAVG: 3123600 -32.0588 -21.5615 -6.94005 -18.8709 35.0061 43.7541 -7.61471 44.1144 -23.8016 TIMING: 3123600 CPU: 9331.28, 0.00297929/step Wall: 9331.28, 0.00297929/step, 1.55287 hours remaining, 205.941406 MB of memory in use. ENERGY: 3123600 783.5712 2089.5956 1947.6079 106.7757 -206396.0799 17610.7446 0.0000 0.0000 34257.6615 -149600.1235 299.1807 -183857.7850 -149504.4921 298.0496 -286.4080 -254.5882 558492.4203 -7.0783 -6.9514 PRESSURE: 3123800 289.641 7.76126 23.0739 7.76157 58.2177 132.763 23.0745 132.764 86.7023 GPRESSURE: 3123800 360.135 -33.4294 91.8227 10.1147 143.886 130.634 -15.7189 79.6198 15.6088 PRESSAVG: 3123800 36.8205 22.5153 -17.1962 22.5153 -52.2177 -5.28353 -17.1962 -5.2835 1.52153 GPRESSAVG: 3123800 36.4407 22.3878 -17.5311 23.2592 -51.9184 -3.71816 -17.8518 -7.53367 0.870743 TIMING: 3123800 CPU: 9331.87, 0.00299012/step Wall: 9331.87, 0.00299012/step, 1.55835 hours remaining, 205.941406 MB of memory in use. ENERGY: 3123800 726.3417 2125.6822 1947.0087 125.5018 -206763.7646 17992.1919 0.0000 0.0000 34362.9247 -149484.1135 300.1000 -183847.0382 -149389.3510 298.7381 144.8538 173.2098 556569.8126 -4.6252 -4.8690 PRESSURE: 3124000 -24.2151 167.536 -69.5809 167.535 -133.316 171.557 -69.5806 171.557 -44.4639 GPRESSURE: 3124000 -7.65467 214.291 -24.8703 51.4181 -77.4041 219.352 -52.4381 161.76 -16.0172 PRESSAVG: 3124000 -55.2382 34.5187 -4.65862 34.5188 24.2187 34.7202 -4.65855 34.7202 43.1175 GPRESSAVG: 3124000 -55.9095 33.3198 -6.66475 35.0468 24.8988 31.7311 -4.19639 34.8429 43.6455 TIMING: 3124000 CPU: 9332.48, 0.00301461/step Wall: 9332.48, 0.00301461/step, 1.57095 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: 3124000 742.0967 2104.3717 1965.2481 108.8783 -206175.1135 17617.7612 0.0000 0.0000 34289.7972 -149346.9602 299.4613 -183636.7574 -149254.0371 299.0902 -67.3316 -33.6920 558650.5072 4.0327 4.2116 PRESSURE: 3124200 -248.99 66.3874 -136.319 66.3866 -166.469 -64.0159 -136.32 -64.0163 160.905 GPRESSURE: 3124200 -208.544 100.854 -45.8328 55.0053 -140.542 -63.1838 -210.898 -25.3253 197.771 PRESSAVG: 3124200 7.57406 -60.1667 15.9382 -60.1667 27.5139 -19.6436 15.9381 -19.6436 16.0916 GPRESSAVG: 3124200 8.5938 -58.5152 17.9594 -60.7062 26.5782 -18.1006 16.2707 -17.2528 15.5213 TIMING: 3124200 CPU: 9333.08, 0.00301636/step Wall: 9333.08, 0.00301636/step, 1.57169 hours remaining, 205.941406 MB of memory in use. ENERGY: 3124200 770.3106 2089.2762 1929.5174 112.7096 -206084.3177 17604.9344 0.0000 0.0000 34216.6720 -149360.8975 298.8227 -183577.5695 -149274.3450 299.3925 -84.8515 -50.4382 558286.3865 17.0599 16.8978 LDB: ============= START OF LOAD BALANCING ============== 9336.51 LDB: ============== END OF LOAD BALANCING =============== 9336.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9336.52 LDB: ============= START OF LOAD BALANCING ============== 9336.82 LDB: Largest compute 4821 load 0.032397 is 27.4% of average load 0.118098 LDB: Average compute 0.001730 is 1.5% of average load 0.118098 LDB: TIME 9336.82 LOAD: AVG 0.118098 MAX 0.20141 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 9336.82 LOAD: AVG 0.118098 MAX 0.20141 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 9336.82 LOAD: AVG 0.118098 MAX 0.20141 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9336.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9336.82 PRESSURE: 3124400 -459.879 -254.484 -48.778 -254.484 191.602 -39.4236 -48.7778 -39.4234 80.282 GPRESSURE: 3124400 -470.264 -238.099 -140.327 -266.08 258.569 -11.839 100.514 -19.8121 121.807 PRESSAVG: 3124400 -65.3057 -38.3927 13.9227 -38.3927 2.19892 -24.2088 13.9227 -24.2088 32.099 GPRESSAVG: 3124400 -65.1226 -37.7209 13.2905 -38.5708 2.179 -25.4622 13.8444 -24.7493 32.268 TIMING: 3124400 CPU: 9333.7, 0.00307111/step Wall: 9333.7, 0.00307111/step, 1.60005 hours remaining, 206.968750 MB of memory in use. ENERGY: 3124400 750.5972 2107.9579 1922.3629 119.6690 -206346.3027 17614.2148 0.0000 0.0000 34292.9081 -149538.5928 299.4885 -183831.5009 -149440.9965 299.0507 -62.6650 -29.9624 556296.0625 -10.3359 -10.2252 PRESSURE: 3124600 -72.5278 -11.9905 0.304887 -11.9889 -62.2843 131.213 0.306668 131.212 -95.1198 GPRESSURE: 3124600 -72.6377 -58.966 -111.889 -71.8596 -36.8035 108.964 6.56874 109.999 -10.7976 PRESSAVG: 3124600 -64.5028 48.1177 31.4317 48.1177 39.8712 -17.0473 31.4317 -17.0474 35.5289 GPRESSAVG: 3124600 -66.4192 47.6407 31.3152 48.1439 41.1256 -16.5617 30.8366 -18.8002 36.2758 TIMING: 3124600 CPU: 9334.3, 0.00300944/step Wall: 9334.3, 0.00300944/step, 1.56775 hours remaining, 206.968750 MB of memory in use. ENERGY: 3124600 766.1629 2102.4206 1954.9931 111.0857 -206048.6940 17548.5516 0.0000 0.0000 34178.2817 -149387.1985 298.4874 -183565.4802 -149293.6515 298.8788 -76.6440 -40.0796 556420.5345 3.6324 3.6607 PRESSURE: 3124800 192.416 -65.5554 -32.3242 -65.5557 -92.2794 -89.4496 -32.3242 -89.451 85.5303 GPRESSURE: 3124800 233.763 -83.6188 -53.3753 -11.7 -56.3153 -99.0327 17.6549 -85.6947 106.995 PRESSAVG: 3124800 -42.4988 -14.9801 -60.6741 -14.9801 22.8225 -23.1456 -60.6741 -23.1456 -27.3226 GPRESSAVG: 3124800 -40.7298 -15.3864 -61.1678 -14.7916 22.2334 -22.3456 -59.8231 -22.785 -27.2623 TIMING: 3124800 CPU: 9334.9, 0.0030263/step Wall: 9334.9, 0.0030263/step, 1.57637 hours remaining, 206.968750 MB of memory in use. ENERGY: 3124800 744.6541 2089.2739 1947.8992 107.5054 -206492.6719 17899.2658 0.0000 0.0000 34225.5401 -149478.5334 298.9002 -183704.0735 -149381.8563 298.9229 61.8889 94.8142 555763.8766 -15.6663 -15.2529 PRESSURE: 3125000 338.831 106.316 100.44 106.318 33.7924 137.793 100.441 137.793 358.477 GPRESSURE: 3125000 351.817 142.58 145.842 42.0283 59.9905 110.161 88.9837 135.295 415.128 PRESSAVG: 3125000 -15.7394 12.4655 -47.2168 12.4654 55.0142 -25.8414 -47.2167 -25.8415 -21.0402 GPRESSAVG: 3125000 -15.3363 14.7208 -44.6914 12.2659 54.7341 -26.3896 -47.6182 -23.2556 -21.2332 TIMING: 3125000 CPU: 9335.51, 0.00303954/step Wall: 9335.51, 0.00303954/step, 1.5831 hours remaining, 206.968750 MB of memory in use. ENERGY: 3125000 738.7236 2106.4303 1972.5530 107.2270 -206634.3971 18118.0326 0.0000 0.0000 34380.4397 -149210.9909 300.2529 -183591.4306 -149114.4643 298.4816 243.7003 275.6451 556201.8936 6.0782 6.0548 PRESSURE: 3125200 79.4984 3.41335 36.105 3.4137 30.2856 16.1408 36.1064 16.1421 99.0638 GPRESSURE: 3125200 113.312 68.3575 44.6776 -35.9311 89.0687 -9.83049 68.5221 97.0834 116.504 PRESSAVG: 3125200 21.0497 -3.84921 -21.1877 -3.84927 -12.8414 -23.0528 -21.1877 -23.0528 8.05103 GPRESSAVG: 3125200 20.0991 -5.04174 -21.9134 -4.16808 -12.3888 -22.4315 -22.4746 -25.415 8.12816 TIMING: 3125200 CPU: 9336.11, 0.0030057/step Wall: 9336.11, 0.0030057/step, 1.5653 hours remaining, 206.968750 MB of memory in use. ENERGY: 3125200 666.6183 2064.7145 1963.8612 117.3266 -205837.5010 17786.5516 0.0000 0.0000 34044.1301 -149194.2987 297.3159 -183238.4288 -149099.9121 299.2784 69.6160 106.2949 557424.4069 5.4198 5.2795 PRESSURE: 3125400 -24.318 -114.036 76.5484 -114.037 193.468 -34.5443 76.5488 -34.5446 -114.034 GPRESSURE: 3125400 -33.4397 16.1694 16.9527 -118.195 225.691 -43.6599 100.596 -135.431 -43.4513 PRESSAVG: 3125400 -2.95096 -34.1466 -13.2895 -34.1466 17.9006 -25.085 -13.2896 -25.0851 -13.4187 GPRESSAVG: 3125400 -1.62702 -35.6331 -14.1485 -33.5702 17.2075 -27.548 -11.0998 -25.5824 -14.3161 TIMING: 3125400 CPU: 9336.72, 0.00301886/step Wall: 9336.72, 0.00301886/step, 1.57199 hours remaining, 206.968750 MB of memory in use. ENERGY: 3125400 695.9238 2117.9581 1946.7785 109.1400 -206173.3948 17906.0811 0.0000 0.0000 34324.4221 -149073.0911 299.7637 -183397.5132 -148971.7818 299.7954 18.3719 49.6001 558394.6451 0.5103 0.4215 PRESSURE: 3125600 -134.541 -46.2601 93.3793 -46.2597 -207.881 135.957 93.3798 135.958 -155.342 GPRESSURE: 3125600 -94.5228 6.13654 74.674 -71.0611 -151.766 97.7455 51.7589 84.0396 -148.414 PRESSAVG: 3125600 -17.2515 -1.96286 2.33309 -1.96285 44.0892 26.2088 2.33289 26.2089 -23.5706 GPRESSAVG: 3125600 -19.1948 -0.903687 2.8745 -1.23163 45.4635 26.5515 0.325484 28.3645 -23.437 TIMING: 3125600 CPU: 9337.32, 0.00302061/step Wall: 9337.32, 0.00302061/step, 1.57273 hours remaining, 206.968750 MB of memory in use. ENERGY: 3125600 748.7545 2074.6526 1960.6942 116.0178 -205989.0909 17607.6221 0.0000 0.0000 34412.5229 -149068.8268 300.5331 -183481.3497 -148974.1194 299.3305 -165.9215 -131.5676 558749.8345 1.0890 0.9439 PRESSURE: 3125800 -172.055 29.5815 76.5875 29.5807 -86.5276 -2.52962 76.5881 -2.53029 -164.981 GPRESSURE: 3125800 -121.777 -11.3645 73.8216 107.362 -62.1116 -55.7921 80.2928 -9.88108 -147.559 PRESSAVG: 3125800 13.4458 21.9488 36.045 21.9488 -29.1588 -27.5923 36.0449 -27.5923 -13.1497 GPRESSAVG: 3125800 15.5181 21.6698 35.6999 21.8659 -30.6696 -27.3676 38.8628 -29.5707 -13.6009 TIMING: 3125800 CPU: 9337.92, 0.00298917/step Wall: 9337.92, 0.00298917/step, 1.5562 hours remaining, 206.968750 MB of memory in use. ENERGY: 3125800 760.7945 2101.8728 1944.2961 118.3888 -205885.6518 17704.0019 0.0000 0.0000 34222.5600 -149033.7376 298.8741 -183256.2977 -148934.0330 299.3414 -141.1879 -110.4827 559690.6770 -9.6209 -9.5841 PRESSURE: 3126000 -117.801 -95.91 177.531 -95.9098 168.821 178.919 177.531 178.92 -163.688 GPRESSURE: 3126000 -75.1321 -127.386 203.632 -45.0936 176.496 196.784 225.878 189.677 -118.479 PRESSAVG: 3126000 -29.502 -22.6019 34.4967 -22.602 16.1284 12.2658 34.4966 12.2658 -8.18977 GPRESSAVG: 3126000 -30.1956 -20.8975 35.0828 -21.916 16.3668 14.2619 32.4696 12.2579 -7.7034 TIMING: 3126000 CPU: 9338.52, 0.00301892/step Wall: 9338.52, 0.00301892/step, 1.57152 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: 3126000 712.3129 2090.8885 1924.1403 113.6912 -206138.8381 17854.3830 0.0000 0.0000 34329.1528 -149114.2693 299.8050 -183443.4221 -149016.1301 299.8515 -37.5559 -5.7051 558046.9249 -7.1878 -7.1774 PRESSURE: 3126200 -118.318 160.066 -12.1857 160.066 -198.971 -87.0955 -12.1863 -87.0969 -28.2462 GPRESSURE: 3126200 -101.082 209.442 -40.1396 86.6615 -130.218 -43.2459 -85.9446 -180.585 -16.026 PRESSAVG: 3126200 65.7003 -8.32052 -5.80509 -8.32042 22.5017 -13.4938 -5.8051 -13.4937 -42.1499 GPRESSAVG: 3126200 64.8725 -9.2609 -8.69276 -9.99934 23.6304 -14.0496 -4.81591 -15.1044 -42.5463 TIMING: 3126200 CPU: 9339.13, 0.00304164/step Wall: 9339.13, 0.00304164/step, 1.58317 hours remaining, 206.968750 MB of memory in use. ENERGY: 3126200 764.0468 2077.5442 1957.3431 102.2528 -206254.4893 17759.4711 0.0000 0.0000 34352.5785 -149241.2528 300.0096 -183593.8313 -149146.5421 299.8438 -115.1783 -82.4421 557981.6656 15.3507 15.3189 PRESSURE: 3126400 -67.7824 9.05555 175.297 9.05587 -138.189 73.6419 175.296 73.6436 -98.8265 GPRESSURE: 3126400 -14.5454 -31.5512 87.5004 12.9306 -85.797 79.7239 225.366 84.8598 -99.7376 PRESSAVG: 3126400 -46.9679 2.04116 -0.763503 2.04126 2.52129 -10.6994 -0.763601 -10.6993 -31.2758 GPRESSAVG: 3126400 -47.2018 1.81554 1.69342 2.73942 2.26627 -14.2134 -2.23872 -6.09774 -30.8117 TIMING: 3126400 CPU: 9339.74, 0.00303488/step Wall: 9339.74, 0.00303488/step, 1.57949 hours remaining, 206.968750 MB of memory in use. ENERGY: 3126400 797.0277 2093.2565 1938.1750 116.1772 -206097.1768 17782.0374 0.0000 0.0000 34267.9517 -149102.5513 299.2705 -183370.5029 -149009.9820 299.4586 -101.5995 -66.6934 558010.1600 -25.2408 -25.2491 PRESSURE: 3126600 96.4914 -21.902 8.85915 -21.9018 284.161 -65.4333 8.8598 -65.4336 -87.9413 GPRESSURE: 3126600 121.872 2.58593 -16.5937 -76.0365 338.992 -93.3886 15.7578 -61.171 -64.9711 PRESSAVG: 3126600 -35.1962 -8.36895 -18.8148 -8.36889 19.4158 -25.5218 -18.8149 -25.5219 -4.47501 GPRESSAVG: 3126600 -33.3698 -7.44869 -18.7743 -9.05429 18.7425 -24.0267 -16.9878 -25.7991 -4.82908 TIMING: 3126600 CPU: 9340.34, 0.00302107/step Wall: 9340.34, 0.00302107/step, 1.57213 hours remaining, 206.968750 MB of memory in use. ENERGY: 3126600 767.8216 2087.7547 1921.2662 102.7738 -206273.5240 17990.7547 0.0000 0.0000 34317.2770 -149085.8761 299.7013 -183403.1531 -148990.0649 299.8343 97.5703 131.9644 558616.7150 -6.7518 -6.4855 PRESSURE: 3126800 -251.552 13.4609 60.3934 13.4614 -25.6607 114.865 60.3942 114.864 79.6334 GPRESSURE: 3126800 -199.374 61.4772 89.7246 -2.2896 3.79441 175.331 63.6131 62.0727 96.6882 PRESSAVG: 3126800 -31.5493 -11.5819 42.1915 -11.5819 19.0126 -5.21986 42.1915 -5.21987 -32.6265 GPRESSAVG: 3126800 -32.8289 -12.5168 41.6419 -10.6059 18.779 -3.59926 41.2019 -7.14555 -31.2128 TIMING: 3126800 CPU: 9340.95, 0.00303696/step Wall: 9340.95, 0.00303696/step, 1.58023 hours remaining, 206.968750 MB of memory in use. ENERGY: 3126800 738.1591 2135.1264 1944.8392 120.8693 -206250.5405 17892.0005 0.0000 0.0000 34391.7400 -149027.8060 300.3516 -183419.5460 -148935.7111 299.4437 -65.8599 -32.9639 558071.5552 -15.0544 -15.0876 PRESSURE: 3127000 275.188 60.792 15.478 60.7924 108.673 -104.23 15.4782 -104.231 -31.1033 GPRESSURE: 3127000 319.637 68.6489 54.6866 136.239 91.6993 -42.8073 62.4464 -153.967 36.8463 PRESSAVG: 3127000 21.6352 38.562 14.3741 38.5621 -32.7867 21.8388 14.3741 21.8387 47.4888 GPRESSAVG: 3127000 22.3015 38.2089 17.9054 39.5775 -32.3887 20.963 14.8825 23.8026 46.6511 TIMING: 3127000 CPU: 9341.55, 0.00301992/step Wall: 9341.55, 0.00301992/step, 1.5712 hours remaining, 206.968750 MB of memory in use. ENERGY: 3127000 744.5352 2096.5471 1919.8271 117.5267 -206484.6777 18006.9196 0.0000 0.0000 34514.2493 -149085.0727 301.4215 -183599.3220 -148987.3895 299.7333 117.5857 149.3941 557059.6811 12.1124 12.1880 PRESSURE: 3127200 42.5255 -227.852 -88.034 -227.852 -91.6286 31.7224 -88.0323 31.7237 -90.3778 GPRESSURE: 3127200 62.2872 -202.945 -82.4098 -251.229 -40.7546 13.13 -19.977 7.69857 -65.2408 PRESSAVG: 3127200 -18.4368 45.4955 22.1764 45.4956 -6.33285 -21.1613 22.1765 -21.1613 -15.743 GPRESSAVG: 3127200 -18.6776 45.8303 19.3252 45.8701 -5.98252 -19.4911 23.3898 -23.2227 -15.6491 TIMING: 3127200 CPU: 9342.16, 0.00302255/step Wall: 9342.16, 0.00302255/step, 1.5724 hours remaining, 206.968750 MB of memory in use. ENERGY: 3127200 760.0475 2115.4054 1918.9014 99.8767 -206017.9101 17712.6194 0.0000 0.0000 34298.6438 -149112.4160 299.5386 -183411.0598 -149017.1300 299.8499 -46.4936 -14.5694 557215.4928 -13.5042 -13.4364 PRESSURE: 3127400 -239.539 42.2298 -171.351 42.2302 34.8148 86.153 -171.35 86.1514 -58.691 GPRESSURE: 3127400 -190.084 62.6504 -152.903 49.2222 80.261 36.9861 -124.557 42.5564 -44.6843 PRESSAVG: 3127400 34.1625 -44.1182 33.4835 -44.1183 55.183 4.38313 33.4834 4.3831 -37.7878 GPRESSAVG: 3127400 34.0912 -44.7289 35.6893 -42.9044 55.4679 2.49217 31.1747 4.80206 -38.611 TIMING: 3127400 CPU: 9342.76, 0.00301427/step Wall: 9342.76, 0.00301427/step, 1.56792 hours remaining, 206.968750 MB of memory in use. ENERGY: 3127400 762.0267 2126.1872 1975.6453 103.5751 -206231.2342 17860.9971 0.0000 0.0000 34280.1423 -149122.6605 299.3770 -183402.8028 -149030.0260 299.8369 -87.8049 -51.5025 556282.0748 17.1859 16.9827 PRESSURE: 3127600 -228.288 -86.4203 -43.3507 -86.4213 32.4462 13.949 -43.352 13.9499 -209.334 GPRESSURE: 3127600 -221.77 -166.647 -153.184 -91.4899 66.6179 -82.7621 -28.4266 33.638 -167.422 PRESSAVG: 3127600 -29.3786 -58.3811 -3.22337 -58.3811 28.9908 -4.96606 -3.2235 -4.96605 27.3791 GPRESSAVG: 3127600 -29.442 -57.0453 -5.27672 -61.6428 29.0487 -5.78194 -2.53071 -6.40534 27.2535 TIMING: 3127600 CPU: 9343.36, 0.0030086/step Wall: 9343.36, 0.0030086/step, 1.5648 hours remaining, 206.968750 MB of memory in use. ENERGY: 3127600 731.5980 2089.3149 1949.1517 128.9205 -205774.1908 17569.6400 0.0000 0.0000 34379.8382 -148925.7275 300.2477 -183305.5657 -148827.5005 300.0555 -135.0587 -107.5249 558947.5388 8.9971 8.9534 PRESSURE: 3127800 -332.653 -163.54 -0.743614 -163.541 -301.735 -29.6047 -0.745865 -29.6051 -158.662 GPRESSURE: 3127800 -341.676 -127.238 -61.8165 -99.0378 -252.694 -105.458 27.1489 20.1504 -115.06 PRESSAVG: 3127800 -62.3359 -6.99911 -36.0435 -6.9992 51.5443 -11.2049 -36.0435 -11.2049 -3.1681 GPRESSAVG: 3127800 -63.1739 -5.41231 -36.8199 -8.43781 51.9758 -10.016 -35.0306 -8.12115 -2.79048 TIMING: 3127800 CPU: 9343.96, 0.00301526/step Wall: 9343.96, 0.00301526/step, 1.5681 hours remaining, 206.968750 MB of memory in use. ENERGY: 3127800 779.2687 2104.8384 1922.2328 108.5854 -205603.5842 17659.8931 0.0000 0.0000 34199.5706 -148829.1952 298.6734 -183028.7658 -148732.9750 300.6165 -264.3503 -236.4767 559711.7828 -4.6532 -4.6629 PRESSURE: 3128000 192.676 -243.166 -98.4109 -243.166 -5.74604 50.5379 -98.4097 50.5366 -90.7319 GPRESSURE: 3128000 176.924 -204.95 -6.14252 -212.551 113.538 15.8929 -114.564 40.7871 -86.4221 PRESSAVG: 3128000 -55.0195 -53.7322 37.8136 -53.7322 21.0915 19.0019 37.8136 19.0019 50.357 GPRESSAVG: 3128000 -54.7461 -55.9797 38.9742 -51.517 21.1764 18.6644 35.2568 15.9059 50.4426 TIMING: 3128000 CPU: 9344.57, 0.00305239/step Wall: 9344.57, 0.00305239/step, 1.58724 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: 3128000 768.7287 2081.2629 1952.7330 112.4734 -205837.8895 17656.9425 0.0000 0.0000 34482.6532 -148783.0958 301.1456 -183265.7490 -148679.0154 300.6838 32.0659 68.0133 557620.4441 5.4763 5.6243 PRESSURE: 3128200 -283.285 -29.4325 -184.322 -29.4324 -331.053 -16.4294 -184.321 -16.4291 -553.266 GPRESSURE: 3128200 -289.402 -91.9352 -150.184 -61.4924 -280.083 -29.3153 -120.748 -2.82315 -508.685 PRESSAVG: 3128200 4.13645 -30.3355 20.6063 -30.3354 -31.7806 -18.1832 20.6063 -18.1833 35.5508 GPRESSAVG: 3128200 5.59289 -29.2751 22.1766 -33.2842 -32.3348 -17.5545 21.3995 -15.8373 34.1696 TIMING: 3128200 CPU: 9345.18, 0.00304669/step Wall: 9345.18, 0.00304669/step, 1.58411 hours remaining, 206.968750 MB of memory in use. ENERGY: 3128200 795.4388 2146.3363 1956.7225 102.8883 -205903.3527 17387.0165 0.0000 0.0000 34712.6450 -148802.3052 303.1542 -183514.9503 -148704.9385 300.5124 -389.2012 -359.3901 558745.0541 2.6356 2.4759 LDB: ============= START OF LOAD BALANCING ============== 9348.61 LDB: ============== END OF LOAD BALANCING =============== 9348.62 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9348.62 LDB: ============= START OF LOAD BALANCING ============== 9348.92 LDB: Largest compute 4821 load 0.033011 is 28.0% of average load 0.118024 LDB: Average compute 0.001736 is 1.5% of average load 0.118024 LDB: TIME 9348.92 LOAD: AVG 0.118024 MAX 0.201443 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 9348.92 LOAD: AVG 0.118024 MAX 0.201443 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.059 MB LDB: TIME 9348.92 LOAD: AVG 0.118024 MAX 0.201443 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9348.92 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9348.93 PRESSURE: 3128400 74.662 -88.9985 -87.1692 -88.9982 -73.2736 62.8972 -87.1688 62.8987 10.7666 GPRESSURE: 3128400 99.8183 -160.632 -128.557 -2.66234 -5.52241 83.5157 -42.9102 92.4761 17.2809 PRESSAVG: 3128400 -27.0905 15.234 -32.2368 15.2339 0.525921 -2.67097 -32.2368 -2.67103 12.2462 GPRESSAVG: 3128400 -26.8033 12.2752 -33.8614 17.5295 -0.0666931 -2.41409 -32.8181 -1.75703 13.0091 TIMING: 3128400 CPU: 9345.8, 0.00306922/step Wall: 9345.8, 0.00306922/step, 1.59565 hours remaining, 205.925781 MB of memory in use. ENERGY: 3128400 761.6779 2112.3386 1932.8293 115.2675 -206036.8283 17938.4044 0.0000 0.0000 34219.0142 -148957.2966 298.8432 -183176.3107 -148860.2607 300.4781 4.0517 37.1922 558949.2442 -4.7728 -4.6203 PRESSURE: 3128600 -88.8231 -28.193 -5.42479 -28.1926 -177.403 130.748 -5.42445 130.748 -311.755 GPRESSURE: 3128600 -79.0819 -17.3914 9.34338 -38.5345 -152.643 108.065 33.7464 74.3265 -248.578 PRESSAVG: 3128600 -22.3608 -22.3279 -44.6932 -22.3278 77.4533 6.73278 -44.6932 6.73278 19.5486 GPRESSAVG: 3128600 -22.9994 -21.0387 -42.9992 -22.0028 77.6543 7.63208 -42.5725 5.4987 20.7362 TIMING: 3128600 CPU: 9346.4, 0.00302847/step Wall: 9346.4, 0.00302847/step, 1.5743 hours remaining, 206.035156 MB of memory in use. ENERGY: 3128600 761.0710 2095.5054 1960.8286 112.1227 -205634.7101 17397.3236 0.0000 0.0000 34329.5389 -148978.3199 299.8084 -183307.8588 -148887.4102 299.7228 -192.6606 -160.1011 558310.8763 24.8804 25.1304 PRESSURE: 3128800 -45.1456 -57.9557 48.7011 -57.9557 172.808 77.5927 48.701 77.594 273.361 GPRESSURE: 3128800 -32.9585 -27.5641 114.09 -54.9999 221.548 52.7192 -34.7675 110.185 313.882 PRESSAVG: 3128800 -20.48 -6.52875 2.83856 -6.52869 14.132 8.1595 2.83856 8.15951 -20.348 GPRESSAVG: 3128800 -21.1849 -6.94923 -0.549427 -6.8019 15.404 7.24445 4.39659 8.11538 -20.8298 TIMING: 3128800 CPU: 9347.01, 0.00302905/step Wall: 9347.01, 0.00302905/step, 1.57443 hours remaining, 206.035156 MB of memory in use. ENERGY: 3128800 732.4473 2084.3586 1946.4344 109.0635 -206085.7127 18002.2016 0.0000 0.0000 34229.4540 -148981.7532 298.9343 -183211.2073 -148893.6134 299.6678 133.6745 167.4905 558655.1852 -8.8987 -8.8702 PRESSURE: 3129000 -151.462 1.03794 153.556 1.03709 -33.0087 -77.3164 153.557 -77.3169 -86.5817 GPRESSURE: 3129000 -165.451 -58.8393 170.243 57.492 43.518 -66.2953 147.806 -37.7031 -63.2868 PRESSAVG: 3129000 -30.2231 -9.71871 1.15365 -9.71872 12.0514 14.6137 1.15372 14.6136 25.3345 GPRESSAVG: 3129000 -29.4514 -8.47267 2.8593 -10.7707 11.2232 12.5228 -1.77158 15.3037 25.4563 TIMING: 3129000 CPU: 9347.62, 0.00303301/step Wall: 9347.62, 0.00303301/step, 1.57632 hours remaining, 206.035156 MB of memory in use. ENERGY: 3129000 781.8814 2072.7720 1952.2913 108.8102 -205889.1061 17726.5924 0.0000 0.0000 34212.6053 -149034.1535 298.7872 -183246.7588 -148944.5147 299.4807 -90.3509 -61.7400 558845.7985 2.3876 2.4094 PRESSURE: 3129200 -209.11 -45.1678 -40.1214 -45.1679 -343.742 177.044 -40.1217 177.046 -211.665 GPRESSURE: 3129200 -177.69 5.04964 -57.003 -29.976 -283.876 193.137 -61.6955 254.34 -203.346 PRESSAVG: 3129200 -14.2711 -63.2902 -2.1823 -63.2901 -36.5111 -21.8719 -2.18232 -21.8718 43.439 GPRESSAVG: 3129200 -13.841 -64.4258 -0.828651 -63.0634 -36.7031 -22.2012 -4.25375 -23.7857 42.919 TIMING: 3129200 CPU: 9348.22, 0.00301933/step Wall: 9348.22, 0.00301933/step, 1.56904 hours remaining, 206.035156 MB of memory in use. ENERGY: 3129200 760.3582 2144.9566 1942.5420 110.8489 -205745.0046 17443.1821 0.0000 0.0000 34211.3634 -149131.7534 298.7763 -183343.1168 -149038.1533 299.2387 -254.8387 -221.6372 558663.9962 -2.4478 -2.5417 PRESSURE: 3129400 264.859 45.3265 -81.3217 45.325 -36.3047 -194.5 -81.3227 -194.502 -2.37397 GPRESSURE: 3129400 257.107 69.6946 -89.0731 -0.464595 10.8319 -304.603 -40.5237 -171.84 71.5168 PRESSAVG: 3129400 73.6599 -31.9518 -41.3154 -31.9519 -5.69081 -19.8383 -41.3154 -19.8383 -38.8939 GPRESSAVG: 3129400 72.9903 -31.7981 -42.5738 -31.795 -4.73262 -18.3591 -39.5122 -20.1395 -38.5909 TIMING: 3129400 CPU: 9348.83, 0.00303417/step Wall: 9348.83, 0.00303417/step, 1.57659 hours remaining, 206.035156 MB of memory in use. ENERGY: 3129400 755.1058 2108.3639 1929.6634 114.7051 -206080.6901 17843.6645 0.0000 0.0000 34258.8254 -149070.3620 299.1908 -183329.1874 -148976.0110 299.0660 75.3935 113.1519 558055.5238 9.6917 9.8889 PRESSURE: 3129600 284.313 -29.2093 202.126 -29.209 -122.981 -79.9675 202.126 -79.9686 174.847 GPRESSURE: 3129600 287.031 37.3704 171.146 -3.10728 -79.1778 -89.498 128.22 -8.63055 216.078 PRESSAVG: 3129600 63.2929 7.65779 24.3627 7.65785 -32.5732 -4.30164 24.3627 -4.3016 -21.8587 GPRESSAVG: 3129600 63.0964 8.65548 24.0913 8.06064 -32.4307 -5.50558 24.2988 -3.19501 -21.4103 TIMING: 3129600 CPU: 9349.44, 0.00304324/step Wall: 9349.44, 0.00304324/step, 1.58113 hours remaining, 206.035156 MB of memory in use. ENERGY: 3129600 749.4057 2157.7102 1948.4144 113.3809 -206280.2878 17918.7514 0.0000 0.0000 34330.2838 -149062.3413 299.8149 -183392.6251 -148969.4910 299.6892 112.0599 141.3102 556759.1326 2.9537 3.0852 PRESSURE: 3129800 -218.129 144.973 90.8066 144.973 137.361 -33.7589 90.8062 -33.7578 -202.491 GPRESSURE: 3129800 -112.192 217.854 97.8098 21.3738 100.859 19.2296 41.3251 -43.29 -179.457 PRESSAVG: 3129800 65.7819 8.03641 -4.80847 8.03645 3.56049 1.55286 -4.80846 1.55287 -67.076 GPRESSAVG: 3129800 65.1782 8.95913 -5.779 7.59807 2.56326 1.22274 -4.08387 2.16323 -65.3016 TIMING: 3129800 CPU: 9350.04, 0.00303602/step Wall: 9350.04, 0.00303602/step, 1.57721 hours remaining, 206.035156 MB of memory in use. ENERGY: 3129800 732.6381 2089.2457 1923.4720 112.6681 -205860.5056 17809.9522 0.0000 0.0000 34221.6929 -148970.8365 298.8666 -183192.5294 -148866.7117 299.5042 -94.4196 -63.5967 559441.0633 0.7555 0.8133 PRESSURE: 3130000 -127.907 -35.5432 -151.799 -35.542 -324.756 -104.517 -151.797 -104.515 -705.492 GPRESSURE: 3130000 -82.2227 -119.735 -179.225 -24.4381 -274.939 -125.74 -80.2364 -88.8596 -707.627 PRESSAVG: 3130000 82.6533 31.0078 63.4894 31.0079 20.5941 -0.910503 63.4894 -0.910474 -83.2778 GPRESSAVG: 3130000 82.6729 29.6786 62.6788 30.5278 21.9305 -0.916923 64.5051 -1.17051 -85.1771 TIMING: 3130000 CPU: 9350.64, 0.0030023/step Wall: 9350.64, 0.0030023/step, 1.55953 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: 3130000 786.2391 2038.7590 1926.2454 119.1040 -205894.2088 17447.0198 0.0000 0.0000 34618.4946 -148958.3470 302.3319 -183576.8416 -148855.7455 299.8175 -386.0515 -354.9297 558994.9220 6.6565 6.4754 PRESSURE: 3130200 -53.956 95.2947 30.036 95.2948 -224.04 5.23406 30.0347 5.23505 -188.079 GPRESSURE: 3130200 -27.6837 39.6481 65.5113 97.2198 -184.955 58.5799 -26.8303 3.22107 -147.622 PRESSAVG: 3130200 133.18 -46.079 8.67164 -46.0789 -19.2306 -21.6174 8.67162 -21.6175 -98.0225 GPRESSAVG: 3130200 133.871 -47.2247 12.0648 -42.8061 -19.993 -21.9803 8.17873 -22.7571 -97.7693 TIMING: 3130200 CPU: 9351.24, 0.00300895/step Wall: 9351.24, 0.00300895/step, 1.56282 hours remaining, 206.035156 MB of memory in use. ENERGY: 3130200 735.6540 2077.0682 1959.3388 111.5242 -206059.4220 17846.8607 0.0000 0.0000 34263.0567 -149065.9194 299.2278 -183328.9761 -148963.1737 299.9739 -155.3584 -120.0867 558153.7887 5.3089 5.3696 PRESSURE: 3130400 -170.731 162.268 132.695 162.268 200.113 -83.6464 132.695 -83.646 -238.656 GPRESSURE: 3130400 -120.74 23.2065 161.424 228.772 182.131 -30.1013 131.093 -98.058 -177.486 PRESSAVG: 3130400 63.5544 -23.2083 -5.16498 -23.2083 40.1379 -4.3285 -5.16495 -4.32844 -112.58 GPRESSAVG: 3130400 63.8218 -21.796 -6.30362 -24.2718 39.411 -4.25395 -6.56108 -2.64103 -111.558 TIMING: 3130400 CPU: 9351.85, 0.00301473/step Wall: 9351.85, 0.00301473/step, 1.56565 hours remaining, 206.035156 MB of memory in use. ENERGY: 3130400 735.3639 2143.9768 1975.3213 114.7338 -206014.1833 17621.0829 0.0000 0.0000 34447.4308 -148976.2737 300.8380 -183423.7045 -148875.5567 299.7714 -69.7579 -38.6981 556924.8989 -2.9627 -2.7750 PRESSURE: 3130600 143.941 66.9322 -86.8619 66.9321 307.069 -19.0398 -86.862 -19.0411 230.833 GPRESSURE: 3130600 186.182 13.7336 -91.9754 83.0198 363.634 -8.53352 -8.42661 -96.8135 226.17 PRESSAVG: 3130600 51.9486 26.3885 11.6803 26.3885 -0.238303 46.8746 11.6802 46.8747 -62.1565 GPRESSAVG: 3130600 53.2666 26.3545 12.7894 25.0593 0.231749 47.9145 11.9385 45.3699 -62.9812 TIMING: 3130600 CPU: 9352.45, 0.0030248/step Wall: 9352.45, 0.0030248/step, 1.57071 hours remaining, 206.035156 MB of memory in use. ENERGY: 3130600 740.8456 2126.0707 1951.7596 118.5609 -206049.5557 18196.7579 0.0000 0.0000 34133.7054 -148781.8556 298.0981 -182915.5610 -148677.2444 300.4513 227.2808 258.6623 558015.5369 -3.4821 -3.1609 PRESSURE: 3130800 46.9002 -31.1207 -80.6616 -31.1201 54.9842 78.2238 -80.6611 78.2254 -263.695 GPRESSURE: 3130800 71.2418 3.95109 -98.8394 -0.496443 70.7117 82.5101 -62.9042 66.2177 -226.877 PRESSAVG: 3130800 -55.0258 26.0257 -46.8267 26.0256 50.4241 -15.7874 -46.8266 -15.7874 23.8473 GPRESSAVG: 3130800 -55.6905 27.9909 -47.0757 25.3338 50.5701 -17.5508 -48.686 -14.6076 24.225 TIMING: 3130800 CPU: 9353.06, 0.00301344/step Wall: 9353.06, 0.00301344/step, 1.56464 hours remaining, 206.035156 MB of memory in use. ENERGY: 3130800 757.8700 2121.0783 1939.1925 122.2526 -206017.9715 17800.5348 0.0000 0.0000 34376.5836 -148900.4596 300.2193 -183277.0432 -148809.9648 300.6796 -53.9368 -28.3079 557973.9612 6.4152 6.3682 PRESSURE: 3131000 237.959 -61.2327 -28.2072 -61.2309 -85.1337 -29.3145 -28.2079 -29.3141 -102.866 GPRESSURE: 3131000 297.223 -141.216 -67.1209 0.896528 -79.057 -57.52 70.7512 -51.7414 -63.9885 PRESSAVG: 3131000 41.0875 -8.05017 -55.6549 -8.05009 -6.62336 -9.20477 -55.6549 -9.2048 11.5707 GPRESSAVG: 3131000 42.1558 -9.29833 -56.4843 -7.92583 -7.08985 -7.02181 -52.4927 -9.67773 11.0402 TIMING: 3131000 CPU: 9353.67, 0.00307231/step Wall: 9353.67, 0.00307231/step, 1.59504 hours remaining, 206.035156 MB of memory in use. ENERGY: 3131000 737.8188 2047.6092 1937.8284 112.6629 -206149.0344 17857.4495 0.0000 0.0000 34338.5960 -149117.0695 299.8875 -183455.6655 -149027.0620 299.8402 16.6530 51.3925 558302.8910 15.3450 15.3687 PRESSURE: 3131200 -95.7888 38.3386 83.188 38.3371 -158.934 -100.073 83.1889 -100.072 -250.447 GPRESSURE: 3131200 -51.58 -53.8507 186.253 83.726 -165.163 -131.074 105.357 -130.933 -187.584 PRESSAVG: 3131200 2.12415 -30.0609 -28.3994 -30.0609 -17.4168 -21.8998 -28.3994 -21.8999 8.28089 GPRESSAVG: 3131200 1.09028 -32.6512 -28.5557 -29.1948 -17.4476 -23.0145 -29.7254 -22.3769 9.15373 TIMING: 3131200 CPU: 9354.28, 0.00306545/step Wall: 9354.28, 0.00306545/step, 1.59131 hours remaining, 206.035156 MB of memory in use. ENERGY: 3131200 733.9587 2115.7403 1955.3192 112.1492 -205856.0723 17537.3174 0.0000 0.0000 34311.6404 -149089.9471 299.6521 -183401.5875 -148990.9417 299.0699 -168.3902 -134.7755 558501.5972 -2.3373 -2.4012 PRESSURE: 3131400 -358.004 87.6951 247.225 87.696 32.0418 282.157 247.226 282.156 -68.2733 GPRESSURE: 3131400 -362.719 25.1743 192.496 95.3614 73.0296 283.934 280.503 353.862 -4.60143 PRESSAVG: 3131400 -31.6798 -11.9875 31.2088 -11.9876 21.4417 12.9803 31.2088 12.9802 9.58807 GPRESSAVG: 3131400 -32.191 -12.3156 31.2302 -12.0341 21.7849 10.6836 31.5957 14.3488 9.63055 TIMING: 3131400 CPU: 9354.89, 0.00302187/step Wall: 9354.89, 0.00302187/step, 1.56852 hours remaining, 206.035156 MB of memory in use. ENERGY: 3131400 768.9204 2082.2123 1939.0841 109.5855 -206125.5508 17787.2572 0.0000 0.0000 34253.6872 -149184.8043 299.1460 -183438.4914 -149082.7045 299.3710 -131.4117 -98.0969 558748.7704 -0.2167 -0.2585 PRESSURE: 3131600 -0.820535 -42.9696 -19.2934 -42.9696 -65.1292 -115.932 -19.294 -115.932 175.175 GPRESSURE: 3131600 -0.719889 40.7795 -72.9818 -29.9812 -47.3843 -126.436 45.8096 -91.9106 242.529 PRESSAVG: 3131600 -25.6341 -73.1553 -19.1228 -73.1553 -12.7944 33.9593 -19.1226 33.9593 51.2094 GPRESSAVG: 3131600 -24.3796 -69.6076 -19.3117 -72.0784 -13.4343 34.7677 -19.9114 34.7946 50.6242 TIMING: 3131600 CPU: 9355.49, 0.0030049/step Wall: 9355.49, 0.0030049/step, 1.55954 hours remaining, 206.035156 MB of memory in use. ENERGY: 3131600 766.7483 2083.8731 1947.8869 119.5885 -206261.6042 17866.5280 0.0000 0.0000 34385.1184 -149091.8610 300.2938 -183476.9795 -148988.8710 299.3908 36.4085 64.8082 557383.2546 4.2603 4.2701 PRESSURE: 3131800 -89.4769 71.48 75.6038 71.4803 80.3992 209.493 75.6035 209.494 138.054 GPRESSURE: 3131800 -29.2704 99.0628 132.931 34.2035 113.763 184.82 85.0853 197.541 144.634 PRESSAVG: 3131800 15.8088 -33.3065 30.5625 -33.3065 -62.2588 22.9815 30.5626 22.9815 19.2463 GPRESSAVG: 3131800 14.4966 -31.9115 29.8007 -34.5538 -60.8573 25.7164 32.3594 20.2791 18.8406 TIMING: 3131800 CPU: 9356.09, 0.00298894/step Wall: 9356.09, 0.00298894/step, 1.55109 hours remaining, 206.035156 MB of memory in use. ENERGY: 3131800 717.3377 2098.9420 1969.9805 111.6100 -205992.5535 17661.4127 0.0000 0.0000 34405.7659 -149027.5047 300.4741 -183433.2705 -148933.7436 299.5700 42.9922 76.3753 556773.4627 -9.0679 -9.1734 PRESSURE: 3132000 132.462 -16.6806 12.1667 -16.6802 4.83396 -9.8714 12.1665 -9.86954 -338.441 GPRESSURE: 3132000 125.691 -6.17807 126.893 -69.3501 30.3307 3.55763 23.2834 -26.5411 -263.566 PRESSAVG: 3132000 33.1538 7.66485 71.305 7.66484 -20.5383 -13.5307 71.3049 -13.5306 3.59231 GPRESSAVG: 3132000 34.9982 4.13769 71.638 8.80787 -22.6463 -15.8303 70.1875 -11.1431 4.31818 TIMING: 3132000 CPU: 9356.69, 0.002999/step Wall: 9356.69, 0.002999/step, 1.55615 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: 3132000 704.4748 2054.8261 1956.4392 116.4225 -205837.6929 17681.4590 0.0000 0.0000 34220.7858 -149103.2855 298.8586 -183324.0713 -149007.0410 299.8245 -67.0484 -35.8482 556816.6035 5.4026 5.5567 PRESSURE: 3132200 50.2182 -106.416 9.55013 -106.417 -107.798 58.6358 9.54949 58.6346 -2.40241 GPRESSURE: 3132200 70.4535 -122.374 -70.6421 -170.714 -21.1052 130.904 65.7531 -45.7338 -4.10827 PRESSAVG: 3132200 36.666 67.904 24.6467 67.9039 -23.6839 -28.1516 24.6468 -28.1516 22.6102 GPRESSAVG: 3132200 35.5664 67.8252 24.6382 66.1177 -22.2801 -27.9673 23.9989 -29.5825 22.0191 TIMING: 3132200 CPU: 9357.29, 0.00303682/step Wall: 9357.29, 0.00303682/step, 1.5756 hours remaining, 206.035156 MB of memory in use. ENERGY: 3132200 759.4900 2065.9321 1929.0754 111.7124 -206061.0059 17877.6696 0.0000 0.0000 34154.7975 -149162.3290 298.2823 -183317.1265 -149064.7032 299.1600 -19.9940 15.0800 557988.0508 11.8641 11.7684 LDB: ============= START OF LOAD BALANCING ============== 9360.73 LDB: ============== END OF LOAD BALANCING =============== 9360.73 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9360.73 LDB: ============= START OF LOAD BALANCING ============== 9361.03 LDB: Largest compute 4821 load 0.030723 is 26.0% of average load 0.117984 LDB: Average compute 0.001734 is 1.5% of average load 0.117984 LDB: TIME 9361.04 LOAD: AVG 0.117984 MAX 0.203067 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.93 MB LDB: TIME 9361.04 LOAD: AVG 0.117984 MAX 0.203067 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: TIME 9361.04 LOAD: AVG 0.117984 MAX 0.203067 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9361.04 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9361.04 PRESSURE: 3132400 -109.125 -0.850899 -22.4438 -0.850755 -251.773 27.7362 -22.4431 27.7352 -154.884 GPRESSURE: 3132400 -62.2136 -51.1422 -5.47491 70.0244 -217.866 -16.2215 -17.9141 100.45 -135.056 PRESSAVG: 3132400 32.6595 -2.31073 -23.2964 -2.31069 9.2551 -7.38548 -23.2964 -7.38549 -3.69256 GPRESSAVG: 3132400 32.7668 -2.59266 -24.6426 0.81934 8.48533 -6.60243 -19.8187 -6.12541 -3.37496 TIMING: 3132400 CPU: 9357.91, 0.00310097/step Wall: 9357.91, 0.00310097/step, 1.60871 hours remaining, 205.871094 MB of memory in use. ENERGY: 3132400 768.3526 2032.3712 1937.5507 111.3041 -205497.1932 17568.5134 0.0000 0.0000 34110.6419 -148968.4594 297.8967 -183079.1012 -148879.1428 299.8391 -171.9275 -138.3785 558462.9216 12.7407 12.6257 PRESSURE: 3132600 178.444 109.6 39.2579 109.601 -52.4628 211.907 39.2567 211.908 24.8356 GPRESSURE: 3132600 166.028 70.6702 -25.6509 36.2071 39.3981 239.284 166.442 245.296 49.6882 PRESSAVG: 3132600 49.2838 -15.673 24.5295 -15.6729 -1.5207 -17.0344 24.5295 -17.0346 -116.203 GPRESSAVG: 3132600 48.7557 -15.3896 25.381 -16.9782 -0.301114 -17.2427 21.9586 -17.4711 -116.245 TIMING: 3132600 CPU: 9358.51, 0.00300472/step Wall: 9358.51, 0.00300472/step, 1.55862 hours remaining, 205.871094 MB of memory in use. ENERGY: 3132600 701.9167 2075.1949 1933.6701 115.0977 -206118.1933 17901.3571 0.0000 0.0000 34448.0897 -148942.8672 300.8437 -183390.9568 -148845.4976 299.5996 50.2722 85.0382 558386.7781 -22.8133 -22.5967 PRESSURE: 3132800 -127.124 -70.3748 -5.31115 -70.3747 -32.093 -28.4186 -5.31068 -28.4207 -6.18777 GPRESSURE: 3132800 -81.5337 -11.7678 -77.374 -172.043 -68.7937 -12.7386 15.4791 -13.3243 80.6561 PRESSAVG: 3132800 -29.9648 -16.977 38.3943 -16.9769 -3.48428 63.1394 38.3943 63.1394 -10.3765 GPRESSAVG: 3132800 -29.372 -14.9081 38.0185 -20.309 -4.32034 63.3128 40.1486 62.1119 -10.0772 TIMING: 3132800 CPU: 9359.12, 0.00301498/step Wall: 9359.12, 0.00301498/step, 1.56377 hours remaining, 205.871094 MB of memory in use. ENERGY: 3132800 783.9542 2052.4990 1924.5869 101.6632 -206048.8745 17859.4506 0.0000 0.0000 34276.0124 -149050.7083 299.3409 -183326.7206 -148950.4778 299.2616 -55.1349 -23.2238 557684.9029 -14.6085 -14.5898 PRESSURE: 3133000 -34.9771 -43.5514 -71.7643 -43.5522 417.392 82.6439 -71.7649 82.6448 95.5356 GPRESSURE: 3133000 15.1936 -30.0032 -99.4943 -32.5379 411.174 125.845 -70.7616 7.67516 137.685 PRESSAVG: 3133000 -40.789 22.1731 -23.7501 22.1731 6.04316 -28.589 -23.75 -28.589 56.8239 GPRESSAVG: 3133000 -40.4136 22.3409 -24.493 24.4601 6.42816 -28.8607 -24.312 -28.7063 56.4024 TIMING: 3133000 CPU: 9359.72, 0.00300911/step Wall: 9359.72, 0.00300911/step, 1.56056 hours remaining, 205.871094 MB of memory in use. ENERGY: 3133000 730.1588 2138.7833 1905.3731 102.4692 -206358.6345 18093.8562 0.0000 0.0000 34311.8849 -149076.1089 299.6542 -183387.9938 -148976.5050 299.1368 159.3170 188.0175 558107.2944 7.3594 7.4723 PRESSURE: 3133200 -203.12 24.1886 -107.8 24.1898 -398.302 103.302 -107.8 103.302 164.238 GPRESSURE: 3133200 -153.083 -31.7338 -21.2789 -6.8173 -390.411 93.131 -175.658 105.895 209.669 PRESSAVG: 3133200 -12.0395 15.1073 -38.391 15.1073 40.6941 -38.2113 -38.3909 -38.2114 -24.5523 GPRESSAVG: 3133200 -11.8342 14.2592 -38.0701 18.195 39.663 -38.1559 -38.8085 -37.6063 -23.5414 TIMING: 3133200 CPU: 9360.32, 0.0029954/step Wall: 9360.32, 0.0029954/step, 1.55328 hours remaining, 205.871094 MB of memory in use. ENERGY: 3133200 744.9907 2066.9592 1934.7174 117.2110 -205883.2502 17605.2962 0.0000 0.0000 34128.2659 -149285.8098 298.0506 -183414.0757 -149183.2728 298.5763 -145.7278 -111.2751 558649.7641 1.3675 1.4291 PRESSURE: 3133400 76.2809 -74.133 135.601 -74.1331 -0.77473 -29.4519 135.6 -29.4531 -57.9204 GPRESSURE: 3133400 127.758 -93.9349 82.524 29.3229 23.1765 -54.0889 186.005 16.5254 -28.3386 PRESSAVG: 3133400 19.6991 -5.77746 -31.5878 -5.77735 -5.50182 -0.314089 -31.5878 -0.314239 -72.1955 GPRESSAVG: 3133400 18.8455 -6.71754 -30.9779 -6.25868 -3.89055 -1.04038 -33.3215 0.221815 -72.973 TIMING: 3133400 CPU: 9360.92, 0.00300949/step Wall: 9360.92, 0.00300949/step, 1.56042 hours remaining, 205.871094 MB of memory in use. ENERGY: 3133400 742.1239 2059.0854 1937.8716 104.8436 -206005.3479 17784.4928 0.0000 0.0000 34115.3462 -149261.5846 297.9378 -183376.9307 -149157.0203 297.9953 5.8619 40.8651 558372.4175 -19.3327 -19.3394 PRESSURE: 3133600 217.157 -46.7085 18.4168 -46.7075 121.416 -150.076 18.4161 -150.077 733.504 GPRESSURE: 3133600 142.868 -32.8915 -44.841 7.35885 264.794 -103.298 110.483 -109.765 747.228 PRESSAVG: 3133600 -12.3556 43.6262 -15.5635 43.6263 -3.70847 -31.903 -15.5636 -31.903 21.8272 GPRESSAVG: 3133600 -13.149 45.1029 -15.8666 39.5688 -3.56607 -31.4919 -14.0767 -33.0527 22.9132 TIMING: 3133600 CPU: 9361.52, 0.0030134/step Wall: 9361.52, 0.0030134/step, 1.56228 hours remaining, 205.871094 MB of memory in use. ENERGY: 3133600 763.5318 2056.7175 1974.2714 97.2305 -206787.6057 18248.6285 0.0000 0.0000 34125.5081 -149521.7179 298.0266 -183647.2260 -149426.0804 298.5688 357.3592 384.9633 556573.7671 1.9210 2.0661 PRESSURE: 3133800 -147.474 -17.4361 -83.962 -17.4362 -336.284 20.1231 -83.9604 20.1224 -258.409 GPRESSURE: 3133800 -86.5508 -8.94207 -61.3951 6.63334 -341.893 17.15 -27.2597 40.4319 -220.369 PRESSAVG: 3133800 -57.9064 -45.2525 -10.6402 -45.2525 16.2474 21.7491 -10.6402 21.7491 47.3514 GPRESSAVG: 3133800 -56.2666 -45.0171 -9.4013 -42.594 15.709 21.6726 -13.8685 22.198 46.5272 TIMING: 3133800 CPU: 9362.13, 0.00301663/step Wall: 9362.13, 0.00301663/step, 1.56379 hours remaining, 205.871094 MB of memory in use. ENERGY: 3133800 764.9444 2098.3191 1968.2746 98.5721 -205925.1413 17443.0663 0.0000 0.0000 34107.7241 -149444.2407 297.8712 -183551.9648 -149342.2233 297.8425 -247.3888 -216.2708 558653.3904 1.8975 1.9899 PRESSURE: 3134000 -217.225 -149.976 18.402 -149.977 91.7137 24.3634 18.403 24.3654 -77.6119 GPRESSURE: 3134000 -153.892 -202.563 47.8522 -162.866 113.12 67.972 2.19959 66.6697 -66.0515 PRESSAVG: 3134000 -15.7449 -16.0294 17.815 -16.0294 -4.25277 0.567157 17.8149 0.567251 23.3903 GPRESSAVG: 3134000 -15.0885 -20.3382 15.9467 -15.0425 -3.76708 0.762716 19.6703 3.00985 22.2328 TIMING: 3134000 CPU: 9362.73, 0.00302515/step Wall: 9362.73, 0.00302515/step, 1.56804 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: 3134000 759.5441 2076.8496 1921.4556 109.4035 -206539.8697 18043.0858 0.0000 0.0000 34195.0910 -149434.4401 298.6342 -183629.5311 -149340.6314 298.0178 -67.7077 -35.6079 559055.2399 1.1309 1.1257 PRESSURE: 3134200 -25.0456 109.15 66.9386 109.15 126.279 -83.2267 66.9381 -83.226 57.614 GPRESSURE: 3134200 -6.16979 159.028 81.2952 -1.117 175.095 -111.162 44.5305 -77.233 80.4503 PRESSAVG: 3134200 38.0649 27.9783 -5.61999 27.9783 49.7205 -9.35597 -5.61991 -9.35598 -17.8156 GPRESSAVG: 3134200 36.7399 30.7733 -5.22616 27.386 49.5404 -11.7592 -5.44252 -8.90468 -16.5994 TIMING: 3134200 CPU: 9363.34, 0.00303982/step Wall: 9363.34, 0.00303982/step, 1.57547 hours remaining, 205.871094 MB of memory in use. ENERGY: 3134200 739.3675 2062.6947 1943.1251 106.7302 -206594.7810 18135.8561 0.0000 0.0000 34263.1516 -149343.8557 299.2286 -183607.0073 -149248.9933 298.2629 52.9491 83.1251 558758.0443 23.3233 23.2269 PRESSURE: 3134400 22.621 -20.8323 -31.6944 -20.8305 -212.645 -123.038 -31.6929 -123.038 245.69 GPRESSURE: 3134400 34.3946 -91.1148 7.92252 -5.9317 -186.544 -87.6732 -27.0443 -121.982 302.539 PRESSAVG: 3134400 -57.7568 -7.39387 -24.7026 -7.3939 -20.9736 -21.996 -24.7027 -21.9961 72.3753 GPRESSAVG: 3134400 -58.1824 -6.50603 -24.0918 -8.38847 -21.8879 -19.7701 -24.6459 -24.8237 73.8578 TIMING: 3134400 CPU: 9363.95, 0.00305137/step Wall: 9363.95, 0.00305137/step, 1.58129 hours remaining, 205.871094 MB of memory in use. ENERGY: 3134400 743.6766 2056.8875 1934.9223 110.4790 -206654.3037 18153.8716 0.0000 0.0000 34293.4304 -149361.0363 299.4931 -183654.4667 -149260.8130 299.0122 18.5553 50.1297 558158.8431 -2.1184 -2.0708 PRESSURE: 3134600 -184.533 111.46 -235.32 111.458 -433.973 129.977 -235.321 129.975 -168.114 GPRESSURE: 3134600 -118.78 128.207 -237.137 139.625 -404.006 104.95 -192.087 115.731 -160.567 PRESSAVG: 3134600 8.20602 34.6316 -11.7188 34.6315 31.4435 26.8511 -11.7187 26.8511 -4.65748 GPRESSAVG: 3134600 9.07235 34.4777 -13.4108 34.0705 31.4085 26.9579 -12.2536 27.5688 -5.28662 TIMING: 3134600 CPU: 9364.55, 0.00301913/step Wall: 9364.55, 0.00301913/step, 1.56441 hours remaining, 205.871094 MB of memory in use. ENERGY: 3134600 764.5646 2080.9268 1916.5342 118.7078 -205626.8560 17384.6536 0.0000 0.0000 34141.4411 -149220.0279 298.1657 -183361.4690 -149119.2658 298.9929 -262.2064 -227.7844 558735.5092 11.6640 11.7314 PRESSURE: 3134800 4.04463 10.8893 -70.5391 10.8888 -49.5562 83.4214 -70.5385 83.422 194.1 GPRESSURE: 3134800 30.3464 30.1645 -48.5932 66.5969 32.245 188.175 -83.7791 33.1559 177.177 PRESSAVG: 3134800 18.5396 -2.4897 -65.525 -2.48969 -39.035 5.25406 -65.525 5.25421 10.0146 GPRESSAVG: 3134800 19.3866 -3.84244 -64.98 -0.13571 -38.7669 5.84944 -66.0002 4.81402 9.2676 TIMING: 3134800 CPU: 9365.16, 0.00303552/step Wall: 9365.16, 0.00303552/step, 1.57273 hours remaining, 205.871094 MB of memory in use. ENERGY: 3134800 763.3022 2103.0137 1941.5388 114.6930 -206354.3205 17976.0481 0.0000 0.0000 34475.0113 -148980.7136 301.0788 -183455.7249 -148883.8006 299.3016 49.5296 79.9229 557157.5608 -3.4936 -3.3709 PRESSURE: 3135000 -30.1546 -72.7776 177.598 -72.7771 117.564 56.4397 177.597 56.4409 93.7222 GPRESSURE: 3135000 5.98321 6.00387 140.078 -97.8976 64.0146 41.227 201.288 24.5441 212.113 PRESSAVG: 3135000 -54.0012 -25.6612 -68.4408 -25.6612 22.0534 2.78296 -68.4407 2.78297 31.339 GPRESSAVG: 3135000 -54.9702 -25.4548 -69.3136 -26.3347 21.8973 2.8044 -66.6488 3.27597 32.4793 TIMING: 3135000 CPU: 9365.76, 0.00300284/step Wall: 9365.76, 0.00300284/step, 1.55564 hours remaining, 205.871094 MB of memory in use. ENERGY: 3135000 743.0106 2121.4442 1941.9784 118.5832 -206482.1607 18000.5719 0.0000 0.0000 34455.1830 -149101.3895 300.9057 -183556.5725 -149004.5297 299.5928 60.3773 94.0370 557515.8807 -0.2029 -0.1979 PRESSURE: 3135200 229.655 35.9005 -62.3625 35.901 113.041 -39.5302 -62.3618 -39.53 334.693 GPRESSURE: 3135200 323.921 79.6578 30.9706 107.652 153.974 -30.1749 -178.953 -72.1697 306.899 PRESSAVG: 3135200 -3.27652 27.5571 6.00229 27.5571 33.5268 0.187857 6.00234 0.187975 19.3338 GPRESSAVG: 3135200 -2.04119 26.9201 6.30753 28.2673 33.4749 1.3745 4.87732 -0.755925 18.5402 TIMING: 3135200 CPU: 9366.37, 0.00302378/step Wall: 9366.37, 0.00302378/step, 1.56632 hours remaining, 205.871094 MB of memory in use. ENERGY: 3135200 768.2981 2060.9251 1945.8956 115.4156 -206431.9959 18179.0408 0.0000 0.0000 34202.0169 -149160.4039 298.6947 -183362.4207 -149061.3318 299.2762 225.7964 261.5978 557876.9278 16.5280 16.6580 PRESSURE: 3135400 -283.24 21.9536 -142.151 21.9536 -214.918 -83.6212 -142.151 -83.6221 -81.923 GPRESSURE: 3135400 -279.205 14.9511 -113.248 -50.3848 -157.271 -60.2205 -145.859 -105.785 -54.4112 PRESSAVG: 3135400 -29.0825 22.7968 2.67682 22.7968 -31.5932 -26.1059 2.67687 -26.1059 15.0333 GPRESSAVG: 3135400 -29.6553 22.9273 2.60979 22.0808 -31.3586 -25.6596 0.344631 -24.8658 15.8682 TIMING: 3135400 CPU: 9366.97, 0.00302297/step Wall: 9366.97, 0.00302297/step, 1.56573 hours remaining, 205.871094 MB of memory in use. ENERGY: 3135400 738.1960 2077.3956 1942.6748 114.1834 -205593.7695 17396.5464 0.0000 0.0000 34194.5579 -149130.2155 298.6296 -183324.7734 -149035.2086 298.9748 -193.3603 -163.6290 559467.9086 -15.2141 -15.0486 PRESSURE: 3135600 -147.047 250.476 -11.4993 250.475 -308.202 95.5471 -11.4998 95.547 -302.57 GPRESSURE: 3135600 -162.948 227.324 85.3121 218.098 -226.661 151.808 -17.3612 17.5764 -267.545 PRESSAVG: 3135600 -15.3538 27.4286 -4.76575 27.4286 9.22286 34.2751 -4.76571 34.2751 -21.6812 GPRESSAVG: 3135600 -16.6164 29.2871 -5.98892 28.7606 10.6534 32.3306 -1.14526 35.5957 -22.0318 TIMING: 3135600 CPU: 9367.57, 0.00300337/step Wall: 9367.57, 0.00300337/step, 1.55541 hours remaining, 205.871094 MB of memory in use. ENERGY: 3135600 764.4718 2082.8313 1944.8752 121.3295 -205436.6970 17298.7159 0.0000 0.0000 34246.9927 -148977.4805 299.0875 -183224.4732 -148893.1329 299.3171 -252.6065 -219.0514 558739.4977 -9.2707 -9.3316 PRESSURE: 3135800 184.95 187.287 -101.858 187.286 142.486 -44.0161 -101.856 -44.0156 358.457 GPRESSURE: 3135800 269.357 191.258 -63.0817 118.474 102.118 -14.5642 -181.488 -2.87183 402.406 PRESSAVG: 3135800 -56.2115 21.93 -37.0916 21.9301 65.0589 39.0723 -37.0916 39.0722 -9.92798 GPRESSAVG: 3135800 -54.8682 20.3251 -36.2165 19.3215 63.8696 40.7312 -37.1718 37.4165 -10.5669 TIMING: 3135800 CPU: 9368.18, 0.00304201/step Wall: 9368.18, 0.00304201/step, 1.57525 hours remaining, 205.871094 MB of memory in use. ENERGY: 3135800 740.3436 2134.2237 1937.6249 112.3799 -206541.4621 18154.9948 0.0000 0.0000 34504.3078 -148957.5873 301.3347 -183461.8952 -148862.6276 300.2917 228.6312 257.9602 555896.9944 -0.3602 -0.5218 PRESSURE: 3136000 88.623 -41.3648 -83.8659 -41.365 -134.312 -198.988 -83.866 -198.987 -199.339 GPRESSURE: 3136000 142.757 -21.0919 -152.723 -45.5119 -108.836 -173.584 14.6851 -275.629 -170.656 PRESSAVG: 3136000 44.5812 10.5149 -19.6052 10.5149 20.3291 -27.9452 -19.6051 -27.9452 -68.2959 GPRESSAVG: 3136000 44.2122 10.6958 -21.6778 10.7286 20.7067 -27.42 -21.4055 -27.8701 -68.2465 TIMING: 3136000 CPU: 9368.78, 0.00301002/step Wall: 9368.78, 0.00301002/step, 1.55852 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: 3136000 758.8402 2084.1466 1940.1917 117.7432 -205850.1423 17613.5275 0.0000 0.0000 34320.0575 -149015.6357 299.7256 -183335.6932 -148913.6921 300.5257 -81.6759 -45.5786 557278.6420 -1.1285 -1.1092 PRESSURE: 3136200 -45.8669 54.2717 75.8102 54.2733 -4.19476 103.232 75.8091 103.234 370.184 GPRESSURE: 3136200 1.16841 25.5741 62.6524 28.5576 20.8537 143.333 21.1268 70.4905 384.51 PRESSAVG: 3136200 18.7594 -33.7283 -12.3363 -33.7282 8.01353 47.43 -12.3364 47.43 -30.5927 GPRESSAVG: 3136200 19.1882 -32.7802 -9.30372 -35.114 7.81271 45.8702 -12.3928 48.4364 -31.5041 TIMING: 3136200 CPU: 9369.38, 0.00301074/step Wall: 9369.38, 0.00301074/step, 1.55873 hours remaining, 205.871094 MB of memory in use. ENERGY: 3136200 755.7644 2105.7870 1932.5816 107.1527 -206153.4195 17813.9043 0.0000 0.0000 34251.3965 -149186.8331 299.1260 -183438.2296 -149086.6430 300.2681 106.7074 135.5106 555833.1122 -1.2732 -1.5011 LDB: ============= START OF LOAD BALANCING ============== 9372.81 LDB: ============== END OF LOAD BALANCING =============== 9372.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9372.81 LDB: ============= START OF LOAD BALANCING ============== 9373.11 LDB: Largest compute 4821 load 0.031217 is 26.5% of average load 0.118007 LDB: Average compute 0.001733 is 1.5% of average load 0.118007 LDB: TIME 9373.11 LOAD: AVG 0.118007 MAX 0.201461 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 9373.11 LOAD: AVG 0.118007 MAX 0.201461 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.07 MB LDB: TIME 9373.11 LOAD: AVG 0.118007 MAX 0.201461 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9373.12 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9373.12 PRESSURE: 3136400 148.708 14.0714 -179.927 14.0743 27.1905 8.71859 -179.927 8.7195 21.3315 GPRESSURE: 3136400 154.102 -4.57216 -122.005 24.2996 102.743 -30.7157 -199.716 34.2338 35.6802 PRESSAVG: 3136400 24.5648 34.8219 -3.46878 34.822 35.7971 -3.04792 -3.4687 -3.04792 -7.00005 GPRESSAVG: 3136400 23.6197 34.8424 -4.966 36.7311 35.6146 -3.34845 -3.9468 -3.31339 -5.88789 TIMING: 3136400 CPU: 9369.99, 0.0030364/step Wall: 9369.99, 0.0030364/step, 1.57185 hours remaining, 207.152344 MB of memory in use. ENERGY: 3136400 738.2425 2068.2773 1937.9638 120.9196 -206280.6954 17919.5511 0.0000 0.0000 34230.1540 -149265.5870 298.9404 -183495.7410 -149161.0919 299.8016 65.7435 97.5081 557359.0983 17.7873 17.7821 PRESSURE: 3136600 27.4083 -68.639 -32.1205 -68.6405 -165.483 -146.079 -32.1207 -146.079 25.4674 GPRESSURE: 3136600 94.5409 -56.6084 -24.3749 -117.61 -153.217 -184.22 -27.3451 -176.892 59.2 PRESSAVG: 3136600 54.6513 46.0449 38.7421 46.045 -42.5574 -28.6914 38.7422 -28.6913 -46.7194 GPRESSAVG: 3136600 55.3041 44.5682 37.5367 45.1256 -43.2413 -26.9323 40.9115 -28.9973 -46.8722 TIMING: 3136600 CPU: 9370.59, 0.00298707/step Wall: 9370.59, 0.00298707/step, 1.54614 hours remaining, 207.222656 MB of memory in use. ENERGY: 3136600 763.5721 2091.4091 1943.2977 123.0081 -206148.6918 17835.2698 0.0000 0.0000 34255.0767 -149137.0583 299.1581 -183392.1350 -149046.0506 300.0532 -37.5359 0.1747 557676.0888 -11.5418 -11.6031 PRESSURE: 3136800 -18.0962 28.7051 -96.2964 28.7054 198.402 -31.0702 -96.294 -31.0689 -228.153 GPRESSURE: 3136800 6.89685 99.3692 -127.292 -13.907 217.258 -61.5378 -24.9414 -75.8875 -170.825 PRESSAVG: 3136800 35.53 55.5679 17.2793 55.5678 -12.2343 -5.15079 17.2793 -5.1507 -7.18304 GPRESSAVG: 3136800 35.228 57.3909 18.0587 56.1101 -12.5848 -5.32608 18.0616 -4.74964 -7.18626 TIMING: 3136800 CPU: 9371.19, 0.00302182/step Wall: 9371.19, 0.00302182/step, 1.56396 hours remaining, 207.222656 MB of memory in use. ENERGY: 3136800 751.8857 2004.8084 1933.1130 131.2175 -206113.2034 17816.9556 0.0000 0.0000 34189.1074 -149286.1157 298.5820 -183475.2231 -149186.5466 299.6456 -15.9489 17.7767 556783.8990 5.3709 5.1523 PRESSURE: 3137000 126.434 149.208 23.4463 149.207 -84.2452 70.3335 23.4462 70.3338 255.578 GPRESSURE: 3137000 180.528 125.54 43.7121 157.701 -25.845 92.4287 3.13236 61.3644 244.006 PRESSAVG: 3137000 -21.9932 21.2369 2.3504 21.2369 18.662 17.6123 2.35046 17.6123 -42.1561 GPRESSAVG: 3137000 -21.2263 18.2672 2.73035 22.048 18.6748 16.9635 1.7833 17.245 -42.898 TIMING: 3137000 CPU: 9371.79, 0.0030074/step Wall: 9371.79, 0.0030074/step, 1.55633 hours remaining, 207.222656 MB of memory in use. ENERGY: 3137000 767.9971 2084.2905 1932.2902 117.8239 -206751.8925 18099.5747 0.0000 0.0000 34357.4798 -149392.4363 300.0524 -183749.9161 -149304.2040 299.0852 99.2558 132.8965 556743.2995 -15.1624 -15.1499 PRESSURE: 3137200 111.917 27.362 109.57 27.3632 52.3419 -73.5784 109.57 -73.5779 -205.031 GPRESSURE: 3137200 143.708 98.0842 149.793 7.31587 82.559 -96.0797 171.202 138.886 -177.492 PRESSAVG: 3137200 23.1387 16.3357 -1.99534 16.3358 20.3898 -5.02536 -1.99536 -5.02541 -48.8528 GPRESSAVG: 3137200 21.8491 18.676 -2.89191 13.579 21.9896 -4.92876 -2.81737 -5.45907 -49.3189 TIMING: 3137200 CPU: 9372.39, 0.00300114/step Wall: 9372.39, 0.00300114/step, 1.55292 hours remaining, 207.222656 MB of memory in use. ENERGY: 3137200 739.1674 2125.0471 1939.8295 113.3364 -206347.8589 17857.3138 0.0000 0.0000 34214.1342 -149359.0305 298.8005 -183573.1646 -149266.8088 299.1179 -13.5906 16.2584 557925.0587 -1.7748 -1.8268 PRESSURE: 3137400 33.0106 125.997 84.8882 125.998 201.327 34.4001 84.8869 34.4002 114.187 GPRESSURE: 3137400 83.0012 85.2294 88.7379 213.023 204.954 33.546 58.338 -10.1774 148.05 PRESSAVG: 3137400 -53.1023 15.6051 -18.4236 15.6052 44.1858 -2.01029 -18.4236 -2.01035 2.89553 GPRESSAVG: 3137400 -52.344 13.0548 -16.622 17.296 42.5293 -2.27734 -19.3145 -2.14441 3.87239 TIMING: 3137400 CPU: 9373, 0.00300565/step Wall: 9373, 0.00300565/step, 1.55509 hours remaining, 207.222656 MB of memory in use. ENERGY: 3137400 779.3072 2002.9060 1973.8246 118.1476 -206180.1395 18105.6685 0.0000 0.0000 34086.6137 -149113.6718 297.6869 -183200.2856 -149021.1955 298.9285 116.1747 145.3350 557226.0645 -2.0070 -1.9808 PRESSURE: 3137600 96.5131 17.7596 -14.325 17.7598 -89.0784 79.5062 -14.3259 79.5068 194.709 GPRESSURE: 3137600 99.5803 35.5387 95.9358 -31.9571 -43.8307 208.14 -75.6572 77.7468 245.357 PRESSAVG: 3137600 -44.4192 -16.5693 -31.8367 -16.5694 10.3619 -33.9386 -31.8368 -33.9385 2.20434 GPRESSAVG: 3137600 -45.3528 -13.8573 -34.39 -15.8295 11.813 -33.5168 -31.467 -32.7561 1.63557 TIMING: 3137600 CPU: 9373.6, 0.00300763/step Wall: 9373.6, 0.00300763/step, 1.55595 hours remaining, 207.222656 MB of memory in use. ENERGY: 3137600 746.7025 2143.2668 1926.3015 117.2295 -206012.1465 17804.3096 0.0000 0.0000 34075.5080 -149198.8287 297.5899 -183274.3367 -149098.2704 299.1573 67.3813 100.3688 557079.1959 -10.6177 -10.6347 PRESSURE: 3137800 -174.679 -59.135 99.0123 -59.137 -50.0743 112.626 99.0132 112.626 25.8683 GPRESSURE: 3137800 -72.3376 -15.8384 88.4177 -76.6163 -31.1682 38.1757 103.668 84.8873 -11.2441 PRESSAVG: 3137800 -36.3657 47.7384 -26.7071 47.7384 35.9253 21.0011 -26.7071 21.0011 -33.8502 GPRESSAVG: 3137800 -36.6279 44.4277 -25.7008 48.1689 35.2206 20.6903 -25.9653 20.9859 -33.1801 TIMING: 3137800 CPU: 9374.21, 0.00304512/step Wall: 9374.21, 0.00304512/step, 1.57517 hours remaining, 207.222656 MB of memory in use. ENERGY: 3137800 762.5282 2089.9915 1955.1641 118.0486 -206226.8357 17708.8463 0.0000 0.0000 34373.4261 -149218.8308 300.1917 -183592.2569 -149119.7656 299.1260 -66.2949 -38.2500 558539.1950 -11.4302 -11.5291 PRESSURE: 3138000 -38.6124 20.0792 118.982 20.0803 132.792 -69.2694 118.981 -69.2699 -95.0655 GPRESSURE: 3138000 46.3683 -16.5492 -8.3513 -34.1085 135.924 -109.423 128.678 -79.5005 -80.8851 PRESSAVG: 3138000 -8.4199 14.3328 61.0362 14.3328 75.8631 -20.1601 61.0362 -20.1602 -38.8613 GPRESSAVG: 3138000 -8.45736 16.1991 61.7221 14.6102 75.5466 -20.1426 58.5584 -21.4764 -38.908 TIMING: 3138000 CPU: 9374.81, 0.00300494/step Wall: 9374.81, 0.00300494/step, 1.55422 hours remaining, 207.222656 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: 3138000 719.4829 2090.6148 1934.7444 112.0819 -206267.1322 17741.9722 0.0000 0.0000 34529.0072 -149139.2288 301.5504 -183668.2360 -149041.2414 299.8883 -0.2953 33.8023 557010.7280 9.5273 9.3937 PRESSURE: 3138200 63.8732 154.525 83.4541 154.524 65.0502 15.7099 83.4535 15.7106 -84.5723 GPRESSURE: 3138200 74.132 149.407 124.362 113.857 108.828 21.7795 161.135 -26.6635 -48.0895 PRESSAVG: 3138200 9.50129 -10.1694 62.4129 -10.1694 -22.2055 -28.3471 62.413 -28.3469 23.0137 GPRESSAVG: 3138200 9.81652 -9.01486 64.0824 -12.3594 -22.2509 -30.2783 63.2158 -26.0117 23.0032 TIMING: 3138200 CPU: 9375.41, 0.00299337/step Wall: 9375.41, 0.00299337/step, 1.54807 hours remaining, 207.222656 MB of memory in use. ENERGY: 3138200 758.7251 2109.9244 1958.5767 114.8739 -206274.0953 17838.2541 0.0000 0.0000 34396.6343 -149097.1069 300.3944 -183493.7412 -149002.8383 300.5048 14.7837 44.9569 557382.9629 3.4365 3.5229 PRESSURE: 3138400 153.442 115.353 16.5369 115.352 9.63918 -100.816 16.5373 -100.816 65.6667 GPRESSURE: 3138400 139.045 145.794 -56.0498 112.982 55.5988 -63.0106 32.5208 -174.262 130.782 PRESSAVG: 3138400 8.56116 -21.5319 -28.837 -21.5319 -26.2206 -35.9655 -28.8369 -35.9656 -5.01834 GPRESSAVG: 3138400 9.02186 -23.8093 -30.4033 -20.4616 -26.9456 -35.3921 -27.7265 -36.1911 -5.14952 TIMING: 3138400 CPU: 9376, 0.00296897/step Wall: 9376, 0.00296897/step, 1.53529 hours remaining, 207.222656 MB of memory in use. ENERGY: 3138400 737.2046 2143.0339 1931.6782 94.5935 -205992.0102 17855.9833 0.0000 0.0000 34198.4530 -149031.0637 298.6636 -183229.5167 -148935.1867 300.0522 76.2494 108.4752 556484.4098 -7.5593 -7.6911 PRESSURE: 3138600 -90.1908 1.43055 -2.01742 1.43052 95.4144 103.549 -2.01744 103.551 -60.6856 GPRESSURE: 3138600 -50.9835 -1.85551 -9.7882 59.304 163.086 38.9033 65.9693 80.2336 -69.0347 PRESSAVG: 3138600 -26.724 2.77608 -21.2375 2.77606 28.5013 -17.9095 -21.2376 -17.9095 23.3559 GPRESSAVG: 3138600 -27.2312 3.52474 -20.875 2.96093 29.8438 -18.1344 -23.3436 -18.297 22.5837 TIMING: 3138600 CPU: 9376.6, 0.00299971/step Wall: 9376.6, 0.00299971/step, 1.55101 hours remaining, 207.222656 MB of memory in use. ENERGY: 3138600 731.3763 2141.3570 1975.4595 104.9819 -206165.3873 17900.4337 0.0000 0.0000 34155.8698 -149155.9092 298.2917 -183311.7790 -149057.2941 299.3494 -18.4873 14.3558 557405.7271 8.3777 8.3988 PRESSURE: 3138800 114.94 107.884 -103.236 107.884 39.875 -169.653 -103.237 -169.653 111.56 GPRESSURE: 3138800 114.55 88.3975 -54.7506 145.641 96.7782 -251.032 -134.685 -42.1988 167.53 PRESSAVG: 3138800 17.9632 48.1881 -70.5698 48.1882 -12.4959 22.8664 -70.5698 22.8664 7.67429 GPRESSAVG: 3138800 17.3445 48.131 -70.719 48.6778 -12.1214 25.1634 -69.0186 23.2485 7.77886 TIMING: 3138800 CPU: 9377.2, 0.00299261/step Wall: 9377.2, 0.00299261/step, 1.54718 hours remaining, 207.222656 MB of memory in use. ENERGY: 3138800 715.0193 2129.2018 1956.1064 129.5349 -206594.1886 18023.0969 0.0000 0.0000 34430.8736 -149210.3557 300.6934 -183641.2293 -149110.1573 300.3971 88.7919 126.2863 556231.0161 4.3805 4.3340 PRESSURE: 3139000 -84.9323 62.783 -53.85 62.7826 21.3904 -125.684 -53.8488 -125.684 -6.71433 GPRESSURE: 3139000 -36.8853 47.7971 -112.129 17.0784 71.6032 -96.3102 -75.862 -7.78559 -22.1436 PRESSAVG: 3139000 53.5005 17.8267 -61.3513 17.8266 -4.56793 -8.01043 -61.3514 -8.01043 -0.904715 GPRESSAVG: 3139000 55.0328 19.891 -61.8884 15.2464 -5.15243 -9.04397 -61.3377 -8.45409 -1.46632 TIMING: 3139000 CPU: 9377.8, 0.00301312/step Wall: 9377.8, 0.00301312/step, 1.55762 hours remaining, 207.222656 MB of memory in use. ENERGY: 3139000 767.8374 2155.1864 1946.3286 111.3411 -205988.0199 17723.3526 0.0000 0.0000 34108.8013 -149175.1725 297.8806 -183283.9738 -149079.7909 299.4502 -23.4187 4.1914 556586.3305 16.0093 16.1380 PRESSURE: 3139200 -273.186 69.7276 -181.503 69.7279 57.0965 -6.35359 -181.504 -6.35322 47.3485 GPRESSURE: 3139200 -235.773 57.0219 -240.188 118.793 83.9017 28.6527 -142.595 25.4721 73.408 PRESSAVG: 3139200 21.3583 34.7331 -53.1424 34.7332 25.9068 -25.5022 -53.1425 -25.5022 -6.98273 GPRESSAVG: 3139200 20.975 32.4327 -54.7032 38.4195 25.4694 -25.984 -53.2698 -24.9913 -6.01135 TIMING: 3139200 CPU: 9378.41, 0.0030255/step Wall: 9378.41, 0.0030255/step, 1.56385 hours remaining, 207.222656 MB of memory in use. ENERGY: 3139200 712.6581 2151.7301 1933.1956 112.2612 -205819.4796 17607.3854 0.0000 0.0000 34243.0114 -149059.2377 299.0527 -183302.2490 -148962.1165 299.5803 -56.2471 -26.1544 558165.8427 13.4275 13.4777 PRESSURE: 3139400 -30.99 -83.6373 -191.123 -83.6366 -425.56 -51.7767 -191.122 -51.7766 -204.939 GPRESSURE: 3139400 6.65186 -164.287 -91.9611 7.33423 -408.473 -40.6688 -244.346 -61.6734 -157.616 PRESSAVG: 3139400 62.5619 -1.24153 -43.5784 -1.24153 -36.4709 27.34 -43.5784 27.3401 -50.783 GPRESSAVG: 3139400 61.574 -0.984484 -41.2942 -2.26998 -36.502 27.4835 -41.8331 27.1791 -49.7488 TIMING: 3139400 CPU: 9379.01, 0.00300519/step Wall: 9379.01, 0.00300519/step, 1.55318 hours remaining, 207.222656 MB of memory in use. ENERGY: 3139400 753.3886 2082.3048 1937.9068 96.6730 -205654.1794 17332.5438 0.0000 0.0000 34425.0382 -149026.3244 300.6424 -183451.3625 -148927.5808 300.2548 -220.4964 -186.4790 559233.2971 -8.2307 -8.2256 PRESSURE: 3139600 111.872 -257.556 -10.0127 -257.556 167.48 31.0629 -10.013 31.0625 55.4864 GPRESSURE: 3139600 115.858 -204.583 -70.2397 -226.207 207.797 113.392 68.4697 -78.6532 107.921 PRESSAVG: 3139600 62.7794 -31.1497 12.6089 -31.1498 -2.84246 -0.0887291 12.6088 -0.0885554 -52.3527 GPRESSAVG: 3139600 63.1185 -29.3987 11.1433 -32.6046 -2.39698 1.564 12.8958 -1.26491 -53.4328 TIMING: 3139600 CPU: 9379.61, 0.00301329/step Wall: 9379.61, 0.00301329/step, 1.5572 hours remaining, 207.222656 MB of memory in use. ENERGY: 3139600 730.8185 2094.1837 1956.2768 113.8633 -206262.1408 17986.4688 0.0000 0.0000 34330.6299 -149049.8998 299.8179 -183380.5297 -148951.1943 300.1581 111.6130 143.8586 557651.1024 2.5281 2.4296 PRESSURE: 3139800 101.479 36.3756 141.181 36.3749 146.032 40.139 141.181 40.1401 113.673 GPRESSURE: 3139800 122.172 41.3846 136.63 54.2972 188.861 34.8025 155.319 61.1481 142.126 PRESSAVG: 3139800 -107.247 31.4975 -8.0591 31.4975 38.4096 27.5189 -8.05905 27.519 36.0497 GPRESSAVG: 3139800 -106.517 31.8587 -7.06941 32.6052 38.4091 26.2379 -7.17249 27.5211 35.3831 TIMING: 3139800 CPU: 9380.21, 0.00299578/step Wall: 9380.21, 0.00299578/step, 1.54798 hours remaining, 207.222656 MB of memory in use. ENERGY: 3139800 749.8848 2084.7259 1958.6110 109.4941 -206377.4577 17993.2136 0.0000 0.0000 34440.8279 -149040.7003 300.7803 -183481.5282 -148947.9869 300.0885 120.3945 151.0530 557664.5599 -10.9294 -10.9084 PRESSURE: 3140000 -280.329 -109.984 -160.514 -109.984 -85.6056 -51.8476 -160.513 -51.8497 -35.1767 GPRESSURE: 3140000 -228.462 -67.6096 -131.849 -137.903 -68.1403 -133.923 -246.203 18.895 -12.4791 PRESSAVG: 3140000 -18.616 17.5515 -7.83488 17.5515 -5.10557 21.1542 -7.83491 21.1542 29.0744 GPRESSAVG: 3140000 -18.9582 16.416 -8.50887 17.604 -5.07025 22.1222 -9.66789 22.7345 29.6219 TIMING: 3140000 CPU: 9380.81, 0.00300626/step Wall: 9380.81, 0.00300626/step, 1.55323 hours remaining, 207.222656 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: 3140000 739.3422 2103.6323 1952.5499 117.5047 -206160.2649 17565.9297 0.0000 0.0000 34409.1858 -149272.1203 300.5040 -183681.3060 -149172.4776 299.3516 -133.7037 -103.0271 558209.8534 1.7843 1.8645 PRESSURE: 3140200 125.341 13.7507 -29.4644 13.7505 7.66315 157.53 -29.4641 157.529 -91.1064 GPRESSURE: 3140200 216.138 -53.6513 -40.2416 2.19257 -11.7884 76.114 -3.87679 253.365 -68.3324 PRESSAVG: 3140200 -21.9137 22.7247 -31.7838 22.7249 -12.3087 -6.24147 -31.7837 -6.24143 -1.84384 GPRESSAVG: 3140200 -21.1256 24.8366 -30.1649 21.7282 -13.2596 -7.00222 -33.5299 -6.86338 -1.90602 TIMING: 3140200 CPU: 9381.41, 0.00299577/step Wall: 9381.41, 0.00299577/step, 1.54765 hours remaining, 207.222656 MB of memory in use. ENERGY: 3140200 755.9454 2130.3175 1954.3049 111.6280 -206057.5049 17789.9938 0.0000 0.0000 33933.3581 -149381.9571 296.3485 -183315.3152 -149294.5354 299.2287 13.9660 45.3392 558467.0005 -12.0221 -12.0971 LDB: ============= START OF LOAD BALANCING ============== 9384.84 LDB: ============== END OF LOAD BALANCING =============== 9384.84 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9384.84 LDB: ============= START OF LOAD BALANCING ============== 9385.14 LDB: Largest compute 4821 load 0.030297 is 25.7% of average load 0.118047 LDB: Average compute 0.001732 is 1.5% of average load 0.118047 LDB: TIME 9385.14 LOAD: AVG 0.118047 MAX 0.203009 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.605 MB LDB: TIME 9385.14 LOAD: AVG 0.118047 MAX 0.203009 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.605 MB LDB: TIME 9385.14 LOAD: AVG 0.118047 MAX 0.203009 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.605 MB LDB: ============== END OF LOAD BALANCING =============== 9385.14 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9385.15 PRESSURE: 3140400 -60.4246 -62.6191 -49.5408 -62.6204 -75.4372 94.6971 -49.5416 94.6962 -59.0998 GPRESSURE: 3140400 -29.2303 -68.9196 -33.0672 -78.54 -13.3938 35.7108 -44.6594 123.376 -51.3294 PRESSAVG: 3140400 9.16974 16.2241 13.4847 16.2241 -11.5074 11.6852 13.4848 11.6852 21.5397 GPRESSAVG: 3140400 8.27716 14.6242 12.1708 16.9343 -11.2582 11.8866 14.5555 12.4041 21.9592 TIMING: 3140400 CPU: 9382.02, 0.00305312/step Wall: 9382.02, 0.00305312/step, 1.5771 hours remaining, 208.203125 MB of memory in use. ENERGY: 3140400 737.9837 2101.9221 1934.7799 109.1865 -206253.9316 17778.2597 0.0000 0.0000 34136.8355 -149454.9642 298.1255 -183591.7996 -149360.7193 298.4115 -64.9872 -31.3178 557991.7696 6.4007 6.3260 PRESSURE: 3140600 -164.309 81.4368 -41.8774 81.4366 -211.649 -4.76502 -41.8778 -4.76426 -240.474 GPRESSURE: 3140600 -125.099 127.846 -37.4875 96.9068 -179.111 -15.5192 -68.7251 -17.1312 -207.988 PRESSAVG: 3140600 -82.9771 48.4556 -14.078 48.4555 74.8836 38.5523 -14.0781 38.5521 -10.4125 GPRESSAVG: 3140600 -82.0743 50.0285 -14.4914 48.9012 74.9875 37.6495 -11.7808 38.0977 -11.6704 TIMING: 3140600 CPU: 9382.63, 0.00303324/step Wall: 9382.63, 0.00303324/step, 1.56667 hours remaining, 208.253906 MB of memory in use. ENERGY: 3140600 765.1165 2087.6075 1932.8606 109.5672 -206232.1599 17681.4340 0.0000 0.0000 34308.3946 -149347.1796 299.6237 -183655.5742 -149250.7114 298.1742 -205.4773 -170.7324 559541.1116 -6.1687 -6.2524 PRESSURE: 3140800 -7.20468 -197.66 42.5554 -197.658 -107.847 259.938 42.5532 259.939 -52.1476 GPRESSURE: 3140800 18.4234 -95.0346 4.53641 -228.082 -70.7647 249.664 45.9531 250.017 -21.3425 PRESSAVG: 3140800 10.3263 22.3642 -10.5961 22.3642 -0.485898 53.1872 -10.5961 53.1873 -6.23955 GPRESSAVG: 3140800 10.4416 19.8039 -10.4334 22.1457 -1.34064 55.4244 -11.4326 51.9731 -5.46706 TIMING: 3140800 CPU: 9383.23, 0.00303386/step Wall: 9383.23, 0.00303386/step, 1.56682 hours remaining, 208.253906 MB of memory in use. ENERGY: 3140800 759.4645 2048.4135 1929.0142 116.6283 -206597.5150 17914.3588 0.0000 0.0000 34188.1523 -149641.4833 298.5736 -183829.6356 -149551.2405 298.1165 -55.7330 -24.5613 556353.7805 1.2003 1.2113 PRESSURE: 3141000 -51.3698 83.5504 -175.238 83.5517 -74.625 22.133 -175.239 22.1322 -18.6303 GPRESSURE: 3141000 -46.0493 100.459 -190.69 67.645 -9.8888 -20.4901 -154.908 -21.8468 17.5858 PRESSAVG: 3141000 7.83191 39.1472 -44.9623 39.1472 10.3146 21.9999 -44.9622 21.9998 -32.6402 GPRESSAVG: 3141000 5.31887 39.7885 -45.887 38.6096 12.8407 22.7938 -44.9939 22.0616 -32.9521 TIMING: 3141000 CPU: 9383.83, 0.00300607/step Wall: 9383.83, 0.00300607/step, 1.5523 hours remaining, 208.253906 MB of memory in use. ENERGY: 3141000 759.1842 2122.6830 1974.2269 111.8929 -206646.3747 17960.6504 0.0000 0.0000 34155.3799 -149562.3573 298.2874 -183717.7372 -149457.3081 298.2033 -48.2083 -12.7841 557578.6507 -4.8313 -4.9308 PRESSURE: 3141200 -34.8405 -48.9015 -32.1187 -48.9016 119.524 14.6472 -32.1164 14.6494 71.593 GPRESSURE: 3141200 25.4626 -124.218 -34.1974 -42.1422 196.027 65.8175 -34.6028 87.1256 28.6963 PRESSAVG: 3141200 10.7273 29.7004 -40.4681 29.7005 34.2565 32.7299 -40.468 32.7298 -18.9272 GPRESSAVG: 3141200 11.8651 29.3052 -40.6726 29.1502 33.0408 31.7686 -41.0444 32.9181 -18.9731 TIMING: 3141200 CPU: 9384.44, 0.00302443/step Wall: 9384.44, 0.00302443/step, 1.56161 hours remaining, 208.253906 MB of memory in use. ENERGY: 3141200 740.4750 2120.2765 1941.6354 119.4240 -206840.2273 18072.5066 0.0000 0.0000 34226.5166 -149619.3931 298.9087 -183845.9097 -149522.6387 298.4664 52.0922 83.3953 558990.8266 8.6855 8.6443 PRESSURE: 3141400 187.399 184.668 37.9629 184.668 -179.443 142.34 37.9624 142.34 98.0549 GPRESSURE: 3141400 212.021 77.8081 5.66031 145.552 -162.138 114.425 44.0008 169.686 138.474 PRESSAVG: 3141400 0.419795 -1.67146 36.3581 -1.67143 -25.7255 33.1277 36.358 33.1277 3.47689 GPRESSAVG: 3141400 1.17178 -1.86381 39.0851 1.40447 -26.2835 32.7658 37.0143 35.7087 3.45507 TIMING: 3141400 CPU: 9385.04, 0.00301/step Wall: 9385.04, 0.00301/step, 1.554 hours remaining, 208.253906 MB of memory in use. ENERGY: 3141400 729.2114 2126.5536 1933.2095 110.0818 -206729.3446 18126.5484 0.0000 0.0000 34178.0528 -149525.6872 298.4854 -183703.7400 -149434.5914 297.8979 35.3369 62.7856 559882.8495 -7.2763 -7.2189 PRESSURE: 3141600 -271.599 -38.1232 -142.437 -38.1229 -203.118 -60.1303 -142.437 -60.1297 -300.794 GPRESSURE: 3141600 -228.01 10.2828 -178.896 44.7268 -168.035 10.7239 -33.2474 -127.311 -287.403 PRESSAVG: 3141600 2.04596 53.0108 -19.8173 53.0107 26.3799 -1.70679 -19.8172 -1.70663 -16.9851 GPRESSAVG: 3141600 2.08025 54.5256 -22.0121 51.6558 26.5374 -0.534373 -18.0653 -3.64407 -15.8781 TIMING: 3141600 CPU: 9385.64, 0.00300648/step Wall: 9385.64, 0.00300648/step, 1.55201 hours remaining, 208.253906 MB of memory in use. ENERGY: 3141600 779.6539 2086.2139 1965.7838 120.3911 -206672.1392 17820.2242 0.0000 0.0000 34384.4293 -149515.4431 300.2878 -183899.8724 -149417.6459 299.1143 -258.5038 -227.8159 559243.9902 3.8136 4.2465 PRESSURE: 3141800 5.32632 1.90558 60.0644 1.90753 -200.366 -41.1937 60.0645 -41.1927 123.946 GPRESSURE: 3141800 9.10533 -17.519 81.1091 109.323 -153.794 -36.7873 61.0154 -28.097 174.996 PRESSAVG: 3141800 3.86352 14.7362 -34.8869 14.7362 55.8258 -50.3061 -34.8869 -50.3062 -24.6478 GPRESSAVG: 3141800 2.80986 14.0079 -32.901 14.8064 55.1247 -53.9858 -36.1392 -49.21 -22.2418 TIMING: 3141800 CPU: 9386.25, 0.00301584/step Wall: 9386.25, 0.00301584/step, 1.55668 hours remaining, 208.253906 MB of memory in use. ENERGY: 3141800 775.1443 2053.9513 1942.7107 116.9682 -206415.4251 17879.9262 0.0000 0.0000 34159.9817 -149486.7428 298.3276 -183646.7245 -149391.1084 298.1148 -23.6978 10.1024 558709.9857 11.6805 11.8976 PRESSURE: 3142000 92.4476 -86.1458 0.401205 -86.1462 32.7445 -71.1847 0.401555 -71.1853 -165.574 GPRESSURE: 3142000 95.6993 -62.8202 -33.6099 -43.1246 120.3 -45.7912 -6.01551 -64.8445 -157.923 PRESSAVG: 3142000 -34.1061 3.56766 -14.2457 3.56764 68.696 -35.9951 -14.2458 -35.995 23.6588 GPRESSAVG: 3142000 -33.5285 4.14246 -16.2705 2.40143 70.0377 -33.4742 -15.2091 -37.9035 21.0108 TIMING: 3142000 CPU: 9386.85, 0.00300995/step Wall: 9386.85, 0.00300995/step, 1.55347 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: 3142000 711.0053 2118.6821 1938.2905 119.4501 -206498.2668 17908.4073 0.0000 0.0000 34465.1338 -149237.2978 300.9926 -183702.4316 -149141.5352 298.9543 -13.4607 19.3589 558337.2387 19.4163 19.1734 PRESSURE: 3142200 271.238 -3.87695 136.967 -3.8768 -63.4864 -20.2547 136.966 -20.2563 -118.688 GPRESSURE: 3142200 305.727 -14.5321 86.4045 7.92652 -28.5891 -26.2218 121.831 22.1693 -85.8466 PRESSAVG: 3142200 57.4486 61.72 37.9311 61.7199 -6.34768 10.0235 37.9311 10.0236 -66.9583 GPRESSAVG: 3142200 58.3509 62.2795 39.5131 62.955 -7.72988 8.896 38.0042 11.1303 -66.6875 TIMING: 3142200 CPU: 9387.45, 0.00300071/step Wall: 9387.45, 0.00300071/step, 1.54853 hours remaining, 208.253906 MB of memory in use. ENERGY: 3142200 744.5196 2177.2957 1924.8737 106.7491 -206410.0441 17855.0294 0.0000 0.0000 34295.4835 -149306.0932 299.5110 -183601.5767 -149208.3806 299.1990 29.6877 63.7637 557865.3246 -5.2858 -5.3555 PRESSURE: 3142400 206.251 -38.6907 -64.0706 -38.6907 72.6507 -118.368 -64.0705 -118.368 -19.1082 GPRESSURE: 3142400 211.63 9.70002 -61.5094 -8.97648 70.3033 -85.7631 -138.453 -109.12 61.0052 PRESSAVG: 3142400 27.0909 58.1829 19.4664 58.1828 10.3696 30.7836 19.4663 30.7836 -64.7372 GPRESSAVG: 3142400 27.2684 56.5658 18.3117 60.0446 10.1197 33.2908 21.1136 32.7247 -65.496 TIMING: 3142400 CPU: 9388.04, 0.0029687/step Wall: 9388.04, 0.0029687/step, 1.53185 hours remaining, 208.253906 MB of memory in use. ENERGY: 3142400 759.3527 2146.0284 1938.7384 126.0459 -206740.8581 18066.2814 0.0000 0.0000 34079.1405 -149625.2708 297.6216 -183704.4113 -149528.8919 299.3205 86.5979 114.3130 557329.5134 -9.0922 -9.3693 PRESSURE: 3142600 90.0852 -87.7488 -191.091 -87.7487 126.858 8.34147 -191.091 8.34254 -47.2396 GPRESSURE: 3142600 36.0258 -7.60533 -227.304 -137.591 237.366 -8.7502 -168.233 67.8336 -11.2064 PRESSAVG: 3142600 31.9741 -25.2887 -60.1148 -25.2887 0.125937 33.7364 -60.1148 33.7365 -42.7058 GPRESSAVG: 3142600 30.093 -25.3052 -58.1246 -27.251 1.95863 32.6206 -62.9728 32.8635 -42.3821 TIMING: 3142600 CPU: 9388.64, 0.00301657/step Wall: 9388.64, 0.00301657/step, 1.55638 hours remaining, 208.253906 MB of memory in use. ENERGY: 3142600 706.0759 2114.1399 1950.6305 110.8293 -206654.8113 17943.2676 0.0000 0.0000 34108.5994 -149721.2687 297.8789 -183829.8681 -149627.0694 297.6464 56.5678 87.3953 558182.3751 -3.5353 -3.4435 PRESSURE: 3142800 241.758 30.1543 18.6256 30.1528 163.245 -155.589 18.6249 -155.592 34.9307 GPRESSURE: 3142800 292.938 55.1854 97.1546 -46.9008 174.155 -138.418 26.6142 -90.5548 75.3085 PRESSAVG: 3142800 -2.9654 -39.3542 -27.0209 -39.3542 34.0752 -29.7585 -27.0209 -29.7585 7.92298 GPRESSAVG: 3142800 -0.913454 -41.3696 -25.5985 -38.5278 34.0072 -29.085 -27.5296 -31.9321 6.3289 TIMING: 3142800 CPU: 9389.25, 0.00302004/step Wall: 9389.25, 0.00302004/step, 1.558 hours remaining, 208.253906 MB of memory in use. ENERGY: 3142800 725.5137 2133.9892 1968.1605 119.6587 -206561.9425 18094.3583 0.0000 0.0000 33924.4574 -149595.8048 296.2707 -183520.2622 -149507.2842 297.7355 146.6445 180.8007 557200.7378 13.0109 13.1409 PRESSURE: 3143000 50.9466 -16.0338 -55.5722 -16.0338 154.499 -11.7368 -55.5716 -11.7377 -30.2405 GPRESSURE: 3143000 66.7889 46.0913 -92.3305 -72.7014 174.805 -11.4918 -1.70456 25.7404 23.3624 PRESSAVG: 3143000 -27.8799 -55.654 4.15498 -55.654 14.6201 -2.98565 4.15497 -2.98568 -34.6252 GPRESSAVG: 3143000 -27.5223 -53.7961 2.61515 -54.456 12.8448 -4.32771 6.1196 -2.86488 -33.6087 TIMING: 3143000 CPU: 9389.85, 0.00298819/step Wall: 9389.85, 0.00298819/step, 1.54141 hours remaining, 208.253906 MB of memory in use. ENERGY: 3143000 750.0922 2075.9227 1930.6068 116.5510 -206637.2121 17949.3714 0.0000 0.0000 34204.0947 -149610.5733 298.7129 -183814.6680 -149502.0965 297.9832 58.4016 88.3188 556812.8165 -15.9617 -16.0954 PRESSURE: 3143200 -53.4904 -9.96985 -90.8675 -9.96959 -376.647 80.8492 -90.8677 80.8489 197.426 GPRESSURE: 3143200 -36.2356 17.9372 3.04295 10.6257 -287.148 151.021 -149.343 11.4661 184.845 PRESSAVG: 3143200 -47.6101 -0.63479 -28.6767 -0.63478 -14.5111 -19.8148 -28.6768 -19.8147 40.0996 GPRESSAVG: 3143200 -48.428 -0.348131 -28.8159 -1.15358 -13.833 -20.9086 -27.6775 -18.5795 40.0018 TIMING: 3143200 CPU: 9390.44, 0.00298364/step Wall: 9390.44, 0.00298364/step, 1.53889 hours remaining, 208.253906 MB of memory in use. ENERGY: 3143200 716.0424 2047.0090 1956.3864 99.5782 -206198.4912 17740.9571 0.0000 0.0000 34062.3134 -149576.2047 297.4747 -183638.5181 -149487.0517 298.9505 -77.5703 -46.1795 557175.1969 -7.3405 -7.4197 PRESSURE: 3143400 263.438 -77.7534 -68.3653 -77.7539 -165.653 80.1244 -68.3658 80.1257 111.607 GPRESSURE: 3143400 326.717 -102.481 -108.935 -100.623 -126.567 35.628 -59.7843 102.531 109.924 PRESSAVG: 3143400 46.4563 -9.63319 27.3544 -9.63322 -90.967 16.2088 27.3544 16.2087 23.5046 GPRESSAVG: 3143400 45.3623 -9.44456 27.4785 -9.42244 -90.0252 16.8083 25.5059 16.705 23.4831 TIMING: 3143400 CPU: 9391.05, 0.00301736/step Wall: 9391.05, 0.00301736/step, 1.55612 hours remaining, 208.253906 MB of memory in use. ENERGY: 3143400 713.2264 2110.0882 1945.2888 108.3132 -206361.1173 17879.8427 0.0000 0.0000 34165.7089 -149438.6492 298.3776 -183604.3580 -149348.7395 298.4602 69.7974 103.3581 556945.4875 -7.0020 -7.0599 PRESSURE: 3143600 85.362 54.7366 62.536 54.738 127.74 -46.4373 62.5352 -46.4372 -187.872 GPRESSURE: 3143600 138.543 94.2782 148.385 45.5807 141.138 -64.689 47.7939 -117.797 -159.903 PRESSAVG: 3143600 -14.6072 -6.96681 8.74312 -6.96686 3.64977 10.5166 8.74314 10.5167 11.148 GPRESSAVG: 3143600 -14.1199 -4.5667 8.04842 -8.43961 2.87013 9.89544 11.3778 9.80166 11.6117 TIMING: 3143600 CPU: 9391.65, 0.00299563/step Wall: 9391.65, 0.00299563/step, 1.54475 hours remaining, 208.253906 MB of memory in use. ENERGY: 3143600 685.6420 2085.5428 1954.5818 120.2078 -206340.1597 17852.4308 0.0000 0.0000 34044.3498 -149597.4047 297.3178 -183641.7546 -149500.8447 298.1251 8.4099 39.9259 557712.8778 0.0635 0.1206 PRESSURE: 3143800 56.5382 31.3236 189.139 31.3247 122.29 101.475 189.141 101.474 193.182 GPRESSURE: 3143800 104.578 -60.6433 152.336 139.889 141.926 68.6607 220.254 99.1488 213.029 PRESSAVG: 3143800 -18.3497 -1.47508 31.3774 -1.47511 -12.2854 -20.167 31.3775 -20.1672 75.7028 GPRESSAVG: 3143800 -17.7071 -4.90364 31.276 -0.809086 -13.074 -18.6311 29.7231 -20.4832 75.4207 TIMING: 3143800 CPU: 9392.24, 0.00298972/step Wall: 9392.24, 0.00298972/step, 1.54153 hours remaining, 208.253906 MB of memory in use. ENERGY: 3143800 765.9456 2064.3503 1908.9969 103.6994 -206479.2039 18153.8840 0.0000 0.0000 33999.8294 -149482.4983 296.9290 -183482.3277 -149385.6248 298.0775 124.0036 153.1779 557775.6115 15.0226 14.8798 PRESSURE: 3144000 -431.872 44.1215 92.9798 44.1224 -292.717 39.0263 92.9786 39.0263 -221.591 GPRESSURE: 3144000 -372.673 28.2815 145.879 1.87415 -291.497 64.2633 76.1318 43.5713 -192.341 PRESSAVG: 3144000 4.8414 74.1866 62.2908 74.1866 -13.1704 32.966 62.2908 32.966 32.0494 GPRESSAVG: 3144000 4.98531 74.7279 63.0074 73.3226 -13.3929 34.5413 60.2427 31.2945 32.4586 TIMING: 3144000 CPU: 9392.84, 0.00298502/step Wall: 9392.84, 0.00298502/step, 1.53894 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: 3144000 767.1076 2048.3911 1956.3638 129.1999 -205938.0821 17321.7481 0.0000 0.0000 34225.0899 -149490.1817 298.8962 -183715.2716 -149398.3360 298.3163 -315.3937 -285.5037 558693.5402 7.9068 8.0170 PRESSURE: 3144200 -95.007 35.6766 -28.6455 35.676 -71.3338 -81.4867 -28.6429 -81.4867 3.47711 GPRESSURE: 3144200 -17.0973 45.4654 19.5052 -14.2704 -62.1701 -117.178 -20.1807 -63.3216 34.311 PRESSAVG: 3144200 16.1751 -0.0894994 18.2312 -0.0894792 23.3226 33.5459 18.2311 33.546 6.42561 GPRESSAVG: 3144200 14.9755 -0.609421 18.3715 -0.31108 24.8461 31.1062 20.5481 33.9223 6.41488 TIMING: 3144200 CPU: 9393.44, 0.00299279/step Wall: 9393.44, 0.00299279/step, 1.54278 hours remaining, 208.253906 MB of memory in use. ENERGY: 3144200 733.9469 2121.4962 1944.1997 116.8193 -206095.7225 17686.8173 0.0000 0.0000 34125.0618 -149367.3811 298.0227 -183492.4430 -149276.2579 298.6907 -54.2879 -14.9854 558636.7078 15.3078 15.4122 LDB: ============= START OF LOAD BALANCING ============== 9396.87 LDB: ============== END OF LOAD BALANCING =============== 9396.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9396.87 LDB: ============= START OF LOAD BALANCING ============== 9397.17 LDB: Largest compute 4821 load 0.029653 is 25.1% of average load 0.118046 LDB: Average compute 0.001726 is 1.5% of average load 0.118046 LDB: TIME 9397.18 LOAD: AVG 0.118046 MAX 0.208079 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.441 MB LDB: TIME 9397.18 LOAD: AVG 0.118046 MAX 0.208079 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.441 MB LDB: TIME 9397.18 LOAD: AVG 0.118046 MAX 0.208079 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.441 MB LDB: ============== END OF LOAD BALANCING =============== 9397.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9397.18 PRESSURE: 3144400 -157.128 -33.0878 -60.6068 -33.0885 260.554 -31.1916 -60.6076 -31.1898 -61.8763 GPRESSURE: 3144400 -133.285 9.1002 24.7533 -20.0406 237.536 37.5169 -125.818 -43.1825 26.2419 PRESSAVG: 3144400 -8.46845 -32.1562 50.1585 -32.1561 0.961217 -78.5879 50.1586 -78.5879 8.38073 GPRESSAVG: 3144400 -9.50488 -32.311 50.1199 -30.7806 1.51972 -78.0132 49.3853 -77.8729 8.36497 TIMING: 3144400 CPU: 9394.05, 0.00306809/step Wall: 9394.05, 0.00306809/step, 1.58143 hours remaining, 207.214844 MB of memory in use. ENERGY: 3144400 757.9146 2054.7003 1944.3112 116.8887 -206486.1832 17956.1267 0.0000 0.0000 34196.5015 -149459.7401 298.6466 -183656.2416 -149361.0883 298.4633 13.8497 43.4976 557735.9607 0.2912 0.1266 PRESSURE: 3144600 211.559 -123.368 23.8485 -123.368 -29.1018 13.6585 23.8497 13.6578 -12.1587 GPRESSURE: 3144600 204.495 -84.8174 50.6912 -200.056 58.1056 -35.5991 -41.8389 37.1846 -3.0941 PRESSAVG: 3144600 -37.4345 11.0485 44.5691 11.0486 43.2862 -33.7603 44.5691 -33.7604 2.10017 GPRESSAVG: 3144600 -36.6076 12.0418 42.8448 9.91262 43.4107 -33.2937 47.9171 -34.1105 0.954819 TIMING: 3144600 CPU: 9394.65, 0.0030055/step Wall: 9394.65, 0.0030055/step, 1.549 hours remaining, 207.781250 MB of memory in use. ENERGY: 3144600 765.4833 2046.0085 1938.1315 112.2693 -206436.3024 17807.8965 0.0000 0.0000 34491.8195 -149274.6939 301.2256 -183766.5134 -149170.4361 299.2433 56.7662 86.5023 557733.1332 2.6506 2.5860 PRESSURE: 3144800 367.776 -61.86 -2.09419 -61.8607 223.988 154.682 -2.09406 154.683 122.273 GPRESSURE: 3144800 387.46 -65.0531 15.9497 -38.7573 248.167 152.822 -57.118 156.452 170.67 PRESSAVG: 3144800 27.8022 5.7247 50.3029 5.72472 6.34922 -3.34966 50.3029 -3.34968 -9.09354 GPRESSAVG: 3144800 27.6544 7.02769 51.6815 5.34875 5.18795 -3.30674 46.5113 -2.13343 -7.62239 TIMING: 3144800 CPU: 9395.25, 0.00298518/step Wall: 9395.25, 0.00298518/step, 1.53836 hours remaining, 207.781250 MB of memory in use. ENERGY: 3144800 743.8701 2141.1581 1923.3859 114.2753 -206630.5557 18174.8623 0.0000 0.0000 34271.8997 -149261.1043 299.3050 -183533.0040 -149162.1369 299.8066 238.0122 268.7655 556662.7205 8.3526 8.4067 PRESSURE: 3145000 105.411 143.851 88.0405 143.851 156.242 174.837 88.0394 174.837 39.7067 GPRESSURE: 3145000 75.0177 163.264 161.733 112.109 224.628 204.046 -3.0673 175.775 114.585 PRESSAVG: 3145000 24.7006 13.0087 47.301 13.0088 -28.2482 25.6494 47.3011 25.6492 22.602 GPRESSAVG: 3145000 24.6297 11.2917 46.9632 13.7964 -28.1228 26.563 48.766 23.064 22.6927 TIMING: 3145000 CPU: 9395.85, 0.00299252/step Wall: 9395.85, 0.00299252/step, 1.54198 hours remaining, 207.781250 MB of memory in use. ENERGY: 3145000 758.7269 2120.3176 1921.2301 112.7119 -206283.4382 17844.8687 0.0000 0.0000 34385.2619 -149140.3211 300.2950 -183525.5830 -149048.9938 300.2211 100.4531 138.0767 556269.7982 6.3515 6.3999 PRESSURE: 3145200 -97.2591 -145.149 -98.2969 -145.149 -13.376 78.2883 -98.297 78.2889 88.2781 GPRESSURE: 3145200 -83.8475 -151.339 -30.8796 -133.999 82.1796 83.2345 -114.203 18.566 80.2529 PRESSAVG: 3145200 -99.6518 15.8437 -9.69903 15.8436 24.6163 33.214 -9.69907 33.214 45.2053 GPRESSAVG: 3145200 -99.1367 16.4534 -10.746 17.0635 25.886 32.5321 -10.7128 34.9094 43.9819 TIMING: 3145200 CPU: 9396.45, 0.00300694/step Wall: 9396.45, 0.00300694/step, 1.54924 hours remaining, 207.781250 MB of memory in use. ENERGY: 3145200 772.8797 2111.0138 1928.6990 110.9005 -206338.5841 17789.3089 0.0000 0.0000 34494.2610 -149131.5211 301.2470 -183625.7821 -149035.0734 300.1264 -7.4523 26.1950 556668.8774 -9.9434 -9.7563 PRESSURE: 3145400 -120.531 -43.461 28.0171 -43.4622 -192.351 74.7635 28.0183 74.7624 55.2774 GPRESSURE: 3145400 -60.8105 -38.8004 20.8736 -77.1226 -138.42 73.37 9.49161 -1.88458 40.1851 PRESSAVG: 3145400 -101.953 -21.6551 28.3908 -21.6551 -3.22502 25.9 28.3908 25.8999 92.8732 GPRESSAVG: 3145400 -101.454 -20.3382 28.8306 -24.2527 -4.1956 24.0392 29.9118 25.5803 92.8608 TIMING: 3145400 CPU: 9397.05, 0.00299187/step Wall: 9397.05, 0.00299187/step, 1.54131 hours remaining, 207.781250 MB of memory in use. ENERGY: 3145400 744.0788 2078.6159 1928.2195 124.7331 -206246.3219 17786.1385 0.0000 0.0000 34321.5062 -149263.0298 299.7383 -183584.5361 -149161.1283 299.8413 -85.8681 -53.0150 557724.6252 -4.1015 -4.2631 PRESSURE: 3145600 108.073 -44.2443 -37.6218 -44.2449 -219.127 66.3039 -37.6209 66.305 141.957 GPRESSURE: 3145600 177.603 84.6354 -42.9319 -81.0293 -151.649 162.262 24.0639 -20.6968 104.508 PRESSAVG: 3145600 -15.622 -1.77818 -27.4178 -1.7782 -40.383 52.8088 -27.4178 52.8088 56.8357 GPRESSAVG: 3145600 -15.6576 -2.24968 -26.6661 -1.77309 -40.905 54.3408 -28.5609 52.3633 56.35 TIMING: 3145600 CPU: 9397.65, 0.00301316/step Wall: 9397.65, 0.00301316/step, 1.55211 hours remaining, 207.781250 MB of memory in use. ENERGY: 3145600 766.8181 2137.2260 1941.5893 111.3719 -206306.0769 17968.0009 0.0000 0.0000 34163.7826 -149217.2880 298.3608 -183381.0706 -149117.2188 299.7737 10.3009 43.4876 557497.5446 0.2769 -0.0709 PRESSURE: 3145800 -315.1 81.2951 -26.1951 81.2963 95.8823 -171.218 -26.1958 -171.219 -17.6713 GPRESSURE: 3145800 -291.655 -25.5417 11.2983 161.339 159.796 -186.234 -4.28086 -211.583 -2.61535 PRESSAVG: 3145800 -22.241 37.7709 -12.9536 37.771 -28.9898 51.0667 -12.9536 51.0667 98.9787 GPRESSAVG: 3145800 -23.3972 36.5839 -12.4302 39.6357 -27.9464 50.5542 -12.7294 53.1261 98.8909 TIMING: 3145800 CPU: 9398.25, 0.00299956/step Wall: 9398.25, 0.00299956/step, 1.54494 hours remaining, 207.781250 MB of memory in use. ENERGY: 3145800 706.9731 2111.1869 1959.4486 109.4566 -206043.1513 17662.7122 0.0000 0.0000 34106.8864 -149386.4875 297.8639 -183493.3739 -149297.0401 299.2917 -78.9629 -44.8245 558849.9828 15.9160 15.8491 PRESSURE: 3146000 8.66353 -186.887 -23.1099 -186.888 -287.107 106.857 -23.1088 106.857 55.7314 GPRESSURE: 3146000 19.4078 -185.94 7.72939 -221.78 -262.135 115.54 -54.9266 32.3904 114.311 PRESSAVG: 3146000 -26.5314 14.2952 52.5598 14.2952 -28.1444 34.9301 52.5596 34.9301 83.6568 GPRESSAVG: 3146000 -27.1782 15.3662 51.183 13.2827 -28.884 34.4636 52.33 33.082 85.0253 TIMING: 3146000 CPU: 9398.85, 0.00300342/step Wall: 9398.85, 0.00300342/step, 1.54676 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: 3146000 764.1272 2031.8141 1952.5903 118.8238 -206640.9222 17867.7811 0.0000 0.0000 34247.2054 -149658.5803 299.0894 -183905.7858 -149562.0213 298.4761 -74.2372 -42.8054 556523.5310 9.6603 9.6544 PRESSURE: 3146200 -91.3538 11.2762 -68.0691 11.2769 137.073 6.45384 -68.0693 6.45485 138.129 GPRESSURE: 3146200 -82.5586 -8.52998 -82.5711 43.6224 189.25 13.0555 -56.6469 -16.805 155.921 PRESSAVG: 3146200 5.2308 -44.4642 -15.2503 -44.4642 -75.6189 -6.09336 -15.2503 -6.0933 28.469 GPRESSAVG: 3146200 5.49783 -45.4793 -13.8184 -42.3268 -75.3104 -3.80971 -14.0459 -6.89442 27.7983 TIMING: 3146200 CPU: 9399.45, 0.0030081/step Wall: 9399.45, 0.0030081/step, 1.549 hours remaining, 207.847656 MB of memory in use. ENERGY: 3146200 727.4641 2061.3444 1951.8008 111.7335 -206733.9391 17966.0524 0.0000 0.0000 34136.5560 -149778.9880 298.1230 -183915.5439 -149681.3233 298.3397 61.2827 87.5372 557190.9073 -13.9730 -14.0047 PRESSURE: 3146400 -79.7608 -186.897 13.6387 -186.897 21.6495 -72.2504 13.6394 -72.2484 370.319 GPRESSURE: 3146400 -33.9948 -222.578 32.5165 -150.44 75.0723 -26.0126 26.2493 -69.9648 361.273 PRESSAVG: 3146400 28.9549 1.65313 25.802 1.65313 -0.519142 -55.7167 25.802 -55.7166 -22.7672 GPRESSAVG: 3146400 29.8037 2.78019 22.3622 -0.766243 -0.863725 -57.6863 26.0742 -52.6485 -23.2494 TIMING: 3146400 CPU: 9400.06, 0.00301842/step Wall: 9400.06, 0.00301842/step, 1.55415 hours remaining, 207.847656 MB of memory in use. ENERGY: 3146400 708.3516 2035.1258 1926.0684 120.2755 -206749.8609 18041.1739 0.0000 0.0000 34170.5731 -149748.2927 298.4201 -183918.8658 -149644.5274 297.9154 104.0691 134.1168 557297.4094 1.8895 1.8968 PRESSURE: 3146600 -33.5347 -87.4856 -155.36 -87.4845 -312.223 66.7068 -155.361 66.7064 -381.218 GPRESSURE: 3146600 -7.2752 -131.166 -146.83 -21.9233 -281.596 25.1838 -152.596 97.1512 -323.446 PRESSAVG: 3146600 -12.9251 27.4514 -16.0913 27.4513 -29.6439 4.55153 -16.0913 4.55156 45.7683 GPRESSAVG: 3146600 -12.8154 27.7963 -14.7318 27.2242 -30.4076 2.45132 -16.3248 6.3341 46.533 TIMING: 3146600 CPU: 9400.66, 0.003006/step Wall: 9400.66, 0.003006/step, 1.54759 hours remaining, 207.847656 MB of memory in use. ENERGY: 3146600 783.0001 2052.5925 1942.9356 119.7976 -206211.9244 17563.0883 0.0000 0.0000 33999.1056 -149751.4047 296.9226 -183750.5103 -149653.0027 297.6372 -242.3253 -204.1057 556920.1744 1.0664 1.1033 PRESSURE: 3146800 -208.638 96.9915 -51.5729 96.9919 -179.745 -2.64226 -51.5729 -2.64244 -242.918 GPRESSURE: 3146800 -130.384 155.445 -10.5774 104.217 -123.659 29.4537 -121.177 -7.65965 -287.086 PRESSAVG: 3146800 38.2747 -14.3441 -20.844 -14.344 -24.0597 4.59568 -20.844 4.59576 -12.9707 GPRESSAVG: 3146800 38.4881 -14.5238 -20.2074 -14.4978 -23.1525 8.16966 -22.4263 0.709745 -13.9513 TIMING: 3146800 CPU: 9401.26, 0.00302953/step Wall: 9401.26, 0.00302953/step, 1.55953 hours remaining, 207.847656 MB of memory in use. ENERGY: 3146800 737.1103 2043.4696 1936.2680 117.7041 -206300.5787 17612.2784 0.0000 0.0000 34333.6446 -149520.1036 299.8443 -183853.7482 -149429.0057 298.5110 -210.4337 -180.3765 556657.7516 0.4148 0.4614 PRESSURE: 3147000 -175.714 -91.5788 -8.99237 -91.5783 -124.529 117.682 -8.99406 117.683 160.04 GPRESSURE: 3147000 -103.772 -74.6627 -36.7793 -39.682 -122.225 78.183 72.5421 134.561 177.035 PRESSAVG: 3147000 1.61065 -20.7673 -2.99466 -20.7673 33.623 2.01719 -2.99468 2.01717 -28.2959 GPRESSAVG: 3147000 0.979589 -21.7724 -2.67953 -17.7595 34.2118 -0.243884 -2.49329 3.14997 -27.7298 TIMING: 3147000 CPU: 9401.87, 0.00304198/step Wall: 9401.87, 0.00304198/step, 1.56577 hours remaining, 207.847656 MB of memory in use. ENERGY: 3147000 721.5158 2070.6120 1961.8737 109.1652 -206287.4738 17663.4696 0.0000 0.0000 34340.9000 -149419.9375 299.9076 -183760.8375 -149314.4705 299.2273 -46.7347 -16.3206 556029.1718 2.3126 2.4872 PRESSURE: 3147200 -45.523 -61.5261 72.9678 -61.5265 -81.8103 -193.577 72.9683 -193.576 68.2787 GPRESSURE: 3147200 -6.6138 -5.33678 40.8476 -99.2008 -8.38164 -180.927 76.8052 -108.342 50.3035 PRESSAVG: 3147200 27.7507 -20.7789 -35.0445 -20.7789 19.9938 -1.76356 -35.0445 -1.76343 -63.094 GPRESSAVG: 3147200 28.7561 -19.893 -34.4007 -23.0741 19.5912 -0.840939 -35.1704 -3.22089 -62.9566 TIMING: 3147200 CPU: 9402.48, 0.00303522/step Wall: 9402.48, 0.00303522/step, 1.56212 hours remaining, 207.847656 MB of memory in use. ENERGY: 3147200 723.3780 2075.6988 1953.2250 108.9362 -206364.1802 17711.7178 0.0000 0.0000 34548.0881 -149243.1364 301.7170 -183791.2244 -149152.5907 299.4762 -19.6849 11.7694 557298.6182 -5.1165 -4.8698 PRESSURE: 3147400 98.2527 -41.6998 -93.2037 -41.6999 317.655 -129.029 -93.2042 -129.029 -79.4401 GPRESSURE: 3147400 118.081 47.083 -148.908 -44.0504 363.33 -189.336 -25.7911 -91.2938 -56.8751 PRESSAVG: 3147400 -0.856874 10.0391 -35.8943 10.0391 62.9719 1.74917 -35.8943 1.74918 -40.3517 GPRESSAVG: 3147400 -1.58463 10.9771 -39.7377 10.6728 63.5963 0.726785 -33.1988 5.397 -40.1725 TIMING: 3147400 CPU: 9403.09, 0.00303028/step Wall: 9403.09, 0.00303028/step, 1.55942 hours remaining, 207.847656 MB of memory in use. ENERGY: 3147400 717.8616 2085.3973 1925.8407 120.9628 -206349.3128 17942.9923 0.0000 0.0000 34386.7509 -149169.5074 300.3080 -183556.2582 -149072.5708 299.9863 112.1560 141.5120 556929.1117 7.2544 7.2797 PRESSURE: 3147600 -56.2556 20.7621 164.676 20.7626 -30.3415 91.6061 164.676 91.6062 -21.6509 GPRESSURE: 3147600 -44.9685 -44.2547 121.923 -10.7056 39.4 162.852 137.672 122.154 2.30415 PRESSAVG: 3147600 8.76244 18.3474 45.127 18.3473 -1.12017 -3.51604 45.127 -3.51604 -19.4238 GPRESSAVG: 3147600 9.04525 16.7567 47.0403 18.9784 -1.64358 -1.28894 41.9606 -5.2468 -18.974 TIMING: 3147600 CPU: 9403.69, 0.00301739/step Wall: 9403.69, 0.00301739/step, 1.55262 hours remaining, 207.847656 MB of memory in use. ENERGY: 3147600 714.5683 2068.8321 1931.5330 114.0894 -205843.5613 17487.7594 0.0000 0.0000 34265.7437 -149261.0354 299.2513 -183526.7791 -149163.1595 299.7848 -36.0827 -1.0881 556792.8764 -3.9272 -3.8574 PRESSURE: 3147800 -179.564 207.535 -51.3442 207.537 211.996 -76.9739 -51.3442 -76.9731 76.5861 GPRESSURE: 3147800 -132.544 250.943 63.9449 199.235 181.111 -65.7368 -43.7605 -150.208 163.885 PRESSAVG: 3147800 -16.2393 58.2062 17.8341 58.2061 -4.81726 -5.61769 17.8341 -5.61784 45.2621 GPRESSAVG: 3147800 -17.2124 59.989 18.638 56.666 -4.82708 -6.17903 18.2695 -7.05817 45.8443 TIMING: 3147800 CPU: 9404.3, 0.00302836/step Wall: 9404.3, 0.00302836/step, 1.55809 hours remaining, 207.847656 MB of memory in use. ENERGY: 3147800 738.1273 2074.4540 1939.1761 118.5611 -206352.7040 17697.7307 0.0000 0.0000 34360.2318 -149424.4231 300.0765 -183784.6549 -149328.6313 299.3988 36.3391 70.8173 556650.2391 8.0685 7.9349 PRESSURE: 3148000 45.7855 28.4679 109.142 28.4682 25.7623 -123.902 109.142 -123.902 -158.197 GPRESSURE: 3148000 126.999 14.2349 69.3056 17.0144 -10.0239 -110.595 155.67 -40.8451 -97.8217 PRESSAVG: 3148000 33.95 42.7849 -5.437 42.785 1.69256 -41.9329 -5.43704 -41.933 9.49457 GPRESSAVG: 3148000 34.7522 41.8349 -5.90079 43.576 1.46015 -41.9592 -5.80568 -43.265 8.70644 TIMING: 3148000 CPU: 9404.9, 0.00300727/step Wall: 9404.9, 0.00300727/step, 1.54707 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: 3148000 733.7864 2054.6395 1939.1378 113.6305 -206383.7304 17785.8729 0.0000 0.0000 34219.0581 -149537.6051 298.8435 -183756.6632 -149433.2214 298.4588 -28.8831 6.3843 556174.9241 15.0457 14.9729 PRESSURE: 3148200 -121.056 65.0958 30.9992 65.0969 -162.13 86.5585 30.9983 86.5583 -30.8558 GPRESSURE: 3148200 -122.824 103.939 102.545 104.262 -95.6552 104.036 15.8212 46.8676 14.1774 PRESSAVG: 3148200 18.7029 84.6735 32.6832 84.6735 -27.9073 -22.176 32.6833 -22.176 25.358 GPRESSAVG: 3148200 18.4215 81.5654 33.2644 87.2029 -27.049 -22.8759 32.755 -19.8519 24.5205 TIMING: 3148200 CPU: 9405.5, 0.00299908/step Wall: 9405.5, 0.00299908/step, 1.5427 hours remaining, 207.847656 MB of memory in use. ENERGY: 3148200 727.4354 2015.3216 1942.3656 116.1698 -206322.7288 17562.4145 0.0000 0.0000 34350.9427 -149608.0793 299.9953 -183959.0220 -149511.0481 298.3856 -104.6807 -68.1005 556243.9574 5.3845 5.2977 LDB: ============= START OF LOAD BALANCING ============== 9408.93 LDB: ============== END OF LOAD BALANCING =============== 9408.93 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9408.93 LDB: ============= START OF LOAD BALANCING ============== 9409.23 LDB: Largest compute 4821 load 0.030021 is 25.4% of average load 0.118071 LDB: Average compute 0.001736 is 1.5% of average load 0.118071 LDB: TIME 9409.24 LOAD: AVG 0.118071 MAX 0.207183 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.383 MB LDB: TIME 9409.24 LOAD: AVG 0.118071 MAX 0.207183 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.383 MB LDB: TIME 9409.24 LOAD: AVG 0.118071 MAX 0.207183 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.383 MB LDB: ============== END OF LOAD BALANCING =============== 9409.24 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9409.24 PRESSURE: 3148400 44.3164 145.412 -103.462 145.412 107.84 -19.3472 -103.462 -19.3473 -126.701 GPRESSURE: 3148400 92.0837 149.004 -72.0091 204.655 123.432 -5.30061 -148.828 0.632154 -110.672 PRESSAVG: 3148400 2.22775 -32.909 -39.9256 -32.909 -18.6588 18.866 -39.9255 18.8659 43.2055 GPRESSAVG: 3148400 2.37814 -30.5807 -41.0762 -34.2733 -20.2158 20.6824 -38.3512 17.1036 44.0867 TIMING: 3148400 CPU: 9406.11, 0.00308001/step Wall: 9406.11, 0.00308001/step, 1.58415 hours remaining, 205.421875 MB of memory in use. ENERGY: 3148400 716.6522 2147.9795 1917.8098 108.0285 -206622.2427 17897.1729 0.0000 0.0000 34262.2093 -149572.3904 299.2204 -183834.5998 -149474.7308 298.1680 8.4851 34.9480 556664.2504 8.9248 8.7497 PRESSURE: 3148600 132.911 71.0643 50.9643 71.0653 -298.717 -88.5052 50.9654 -88.5034 -291.401 GPRESSURE: 3148600 162.857 122.384 68.3965 40.6846 -301.003 -139.235 52.2683 -58.9604 -220.408 PRESSAVG: 3148600 114.115 -11.8729 -31.4067 -11.8728 -44.1532 46.3967 -31.4068 46.3967 -58.5047 GPRESSAVG: 3148600 113.233 -11.5907 -31.6459 -13.2345 -44.4355 44.9841 -33.076 47.0304 -57.5928 TIMING: 3148600 CPU: 9406.71, 0.00301178/step Wall: 9406.71, 0.00301178/step, 1.54889 hours remaining, 205.421875 MB of memory in use. ENERGY: 3148600 746.6393 2065.5592 1909.9704 98.9771 -205760.6824 17325.1840 0.0000 0.0000 34224.7773 -149389.5749 298.8935 -183614.3522 -149295.9638 299.4787 -152.4024 -119.5178 555949.9174 3.8191 3.7349 PRESSURE: 3148800 105.028 -92.7659 -119.308 -92.767 -99.978 180.797 -119.308 180.797 -101.954 GPRESSURE: 3148800 120.759 -15.8339 -148.909 -5.76232 -75.7396 195.563 -67.883 46.6697 -43.2456 PRESSAVG: 3148800 19.3419 -76.3344 50.771 -76.3343 -16.5639 19.5288 50.771 19.5289 10.0732 GPRESSAVG: 3148800 18.3965 -76.2958 51.9537 -75.4632 -15.4114 20.7712 51.1338 20.3837 9.73174 TIMING: 3148800 CPU: 9407.32, 0.00301666/step Wall: 9407.32, 0.00301666/step, 1.55123 hours remaining, 205.421875 MB of memory in use. ENERGY: 3148800 755.5601 2086.3725 1956.5712 105.6128 -206355.2064 17680.4533 0.0000 0.0000 34236.1860 -149534.4506 298.9931 -183770.6366 -149437.8446 298.8198 -32.3013 0.5913 555852.2060 4.2837 4.2389 PRESSURE: 3149000 272.578 -91.6991 4.59898 -91.6998 -162.682 141.904 4.59964 141.904 -84.1431 GPRESSURE: 3149000 286.898 -161.48 66.5241 -67.3458 -68.7105 232.475 -17.8592 75.0821 -109.207 PRESSAVG: 3149000 25.3863 -110.952 -27.2349 -110.952 -21.5312 3.09851 -27.2349 3.09855 0.360885 GPRESSAVG: 3149000 26.9693 -111.935 -28.7384 -111.984 -21.6599 1.75611 -25.4547 2.62226 -1.35929 TIMING: 3149000 CPU: 9407.92, 0.00302672/step Wall: 9407.92, 0.00302672/step, 1.55624 hours remaining, 205.421875 MB of memory in use. ENERGY: 3149000 718.0664 2111.4047 1946.1652 113.6528 -206182.7231 17606.1180 0.0000 0.0000 34327.4601 -149359.8559 299.7902 -183687.3160 -149260.5445 298.2969 8.5846 36.3266 556388.5016 1.4053 1.3167 PRESSURE: 3149200 196.391 -100.873 165.325 -100.873 -20.9487 -27.1186 165.324 -27.1201 -185.394 GPRESSURE: 3149200 204.472 -36.7181 137.87 -80.746 17.3368 -81.6115 184.35 -20.5021 -116.397 PRESSAVG: 3149200 38.3338 -64.3893 -8.11808 -64.3893 -2.03155 6.16166 -8.11806 6.16178 7.3848 GPRESSAVG: 3149200 38.077 -62.7982 -6.45787 -63.7347 -2.51672 5.9438 -9.37317 5.26865 7.66607 TIMING: 3149200 CPU: 9408.53, 0.00301719/step Wall: 9408.53, 0.00301719/step, 1.55117 hours remaining, 205.421875 MB of memory in use. ENERGY: 3149200 697.7166 2147.3588 1941.0484 111.3837 -206256.3292 17646.9825 0.0000 0.0000 34142.3085 -149569.5307 298.1733 -183711.8392 -149468.3226 298.6855 -3.3170 35.1373 557282.2108 14.5624 14.4088 PRESSURE: 3149400 -119.267 -149.781 -48.0996 -149.781 288.893 58.9248 -48.099 58.9242 -95.6822 GPRESSURE: 3149400 -60.3817 -177.837 -60.8538 -176.119 271.97 86.3027 35.109 68.0447 -39.8257 PRESSAVG: 3149400 22.2491 -18.0533 -44.6573 -18.0533 34.5439 64.9141 -44.6573 64.9141 -54.3198 GPRESSAVG: 3149400 23.7627 -18.0167 -42.4022 -17.472 33.2299 63.87 -44.7834 65.2945 -54.6769 TIMING: 3149400 CPU: 9409.13, 0.00301829/step Wall: 9409.13, 0.00301829/step, 1.55157 hours remaining, 205.421875 MB of memory in use. ENERGY: 3149400 718.1745 2091.0089 1936.2607 102.7732 -206242.9356 17890.4814 0.0000 0.0000 33911.1547 -149593.0824 296.1545 -183504.2371 -149492.7593 297.3847 24.6479 57.2543 556464.5923 0.8244 0.7719 PRESSURE: 3149600 4.1173 -61.3029 56.8362 -61.3022 116.734 -41.4214 56.8379 -41.4212 -34.81 GPRESSURE: 3149600 28.7494 -54.4033 -46.5854 -61.1498 110.094 -107.598 69.3018 19.9998 44.0007 PRESSAVG: 3149600 15.7568 -23.9169 -6.01817 -23.9169 44.1129 63.2884 -6.01807 63.2885 -38.9655 GPRESSAVG: 3149600 14.8031 -24.2744 -8.81586 -24.7927 45.0568 64.3932 -5.82438 65.1179 -38.8506 TIMING: 3149600 CPU: 9409.74, 0.0030509/step Wall: 9409.74, 0.0030509/step, 1.56816 hours remaining, 205.421875 MB of memory in use. ENERGY: 3149600 717.0597 2065.2670 1929.7214 106.0299 -206483.2021 18015.6365 0.0000 0.0000 34056.9714 -149592.5162 297.4280 -183649.4876 -149503.4325 297.4375 28.6804 60.9480 559039.1587 6.9681 7.0031 PRESSURE: 3149800 -82.4675 -50.8263 26.0617 -50.8254 -576.876 -41.1622 26.0607 -41.164 -296.93 GPRESSURE: 3149800 -6.71155 -56.251 27.1101 -44.2422 -544.496 -0.467248 -11.721 0.637736 -304.798 PRESSAVG: 3149800 17.2061 5.68687 13.596 5.68687 -38.8141 10.0919 13.5961 10.0919 42.0516 GPRESSAVG: 3149800 17.4955 6.34705 13.6159 5.69662 -38.6216 11.0985 13.0833 7.19973 41.3689 TIMING: 3149800 CPU: 9410.35, 0.00305996/step Wall: 9410.35, 0.00305996/step, 1.57265 hours remaining, 205.421875 MB of memory in use. ENERGY: 3149800 738.3940 2145.9594 1926.0404 119.3059 -205741.7067 17418.7655 0.0000 0.0000 34098.0902 -149295.1515 297.7871 -183393.2416 -149195.8676 298.7561 -318.7579 -285.3351 559062.1925 6.8145 6.7476 PRESSURE: 3150000 -98.2704 81.9777 80.0992 81.9783 -402.999 182.585 80.0995 182.585 90.7214 GPRESSURE: 3150000 -106.978 149.712 46.7542 25.8865 -301.468 153.442 68.9836 216.007 102.833 PRESSAVG: 3150000 69.5755 -16.2301 -1.833 -16.2301 -116.621 73.3854 -1.83301 73.3854 19.9224 GPRESSAVG: 3150000 68.9287 -19.0141 -1.32088 -14.981 -116.284 71.5311 -1.71169 76.0349 20.7362 TIMING: 3150000 CPU: 9410.97, 0.00307079/step Wall: 9410.97, 0.00307079/step, 1.57805 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: 3150000 770.3593 2077.9972 1969.0856 109.4626 -206112.6461 17688.4477 0.0000 0.0000 34196.4264 -149300.8674 298.6459 -183497.2938 -149209.2965 298.7090 -136.8492 -101.8708 559000.7048 -9.0409 -8.8731 PRESSURE: 3150200 -30.3778 15.7942 -112.85 15.7949 -140.842 92.4127 -112.851 92.4111 -258.685 GPRESSURE: 3150200 21.126 -34.0601 -113.881 24.8581 -70.7053 61.1521 -65.2153 94.3211 -282.846 PRESSAVG: 3150200 72.4917 -10.4459 10.2312 -10.4459 -52.8292 34.6427 10.2312 34.6427 -82.0228 GPRESSAVG: 3150200 73.9018 -8.51232 11.2676 -11.0402 -53.8665 34.3026 9.55534 34.5215 -82.1929 TIMING: 3150200 CPU: 9411.57, 0.00302613/step Wall: 9411.57, 0.00302613/step, 1.55493 hours remaining, 205.621094 MB of memory in use. ENERGY: 3150200 734.4897 2033.4391 1943.5784 117.7428 -205816.7429 17670.4952 0.0000 0.0000 34022.0863 -149294.9114 297.1233 -183316.9977 -149190.0293 299.0575 -143.3014 -110.8086 559690.7073 -20.7868 -20.7192 PRESSURE: 3150400 289.773 125.1 -115.673 125.099 -86.37 -36.4656 -115.673 -36.4647 8.76689 GPRESSURE: 3150400 276.31 158.894 -112.235 72.231 8.24199 21.1999 -37.8132 -42.6864 18.4432 PRESSAVG: 3150400 54.1844 85.3655 -10.4882 85.3654 -17.2531 1.20073 -10.4882 1.2007 -35.5509 GPRESSAVG: 3150400 51.9889 83.9233 -12.2695 86.6713 -15.409 2.56107 -9.5556 -0.118057 -35.0652 TIMING: 3150400 CPU: 9412.17, 0.00299533/step Wall: 9412.17, 0.00299533/step, 1.53893 hours remaining, 205.621094 MB of memory in use. ENERGY: 3150400 734.0937 2098.1303 1932.7374 114.0077 -206108.0382 17830.3372 0.0000 0.0000 34084.6083 -149314.1237 297.6694 -183398.7320 -149220.2795 298.8320 70.7231 100.9984 558976.6031 0.4601 0.5049 PRESSURE: 3150600 151.492 159.089 -24.4892 159.089 35.6353 12.6654 -24.4889 12.663 165.103 GPRESSURE: 3150600 142.277 148.926 -45.3583 188.595 106.777 -27.0985 34.7511 25.7467 187.569 PRESSAVG: 3150600 7.40661 34.4308 26.6598 34.4309 -25.0994 -5.61824 26.6598 -5.61831 18.7337 GPRESSAVG: 3150600 8.67445 33.5974 28.2756 34.0972 -26.3929 -4.60913 25.168 -6.04278 19.1541 TIMING: 3150600 CPU: 9412.77, 0.00299023/step Wall: 9412.77, 0.00299023/step, 1.53615 hours remaining, 205.621094 MB of memory in use. ENERGY: 3150600 725.7672 2063.8199 1921.7447 107.4334 -206791.5380 18152.5923 0.0000 0.0000 34728.7823 -149091.3982 303.2951 -183820.1806 -148990.4322 299.4855 117.4101 145.5407 558533.1000 0.3470 0.4785 PRESSURE: 3150800 -348.232 -31.7787 -174.445 -31.7799 -272.253 -102.01 -174.445 -102.008 -359.56 GPRESSURE: 3150800 -284.792 48.8752 -163.124 -143.315 -237.783 -67.7357 -176.838 -142.808 -350.569 PRESSAVG: 3150800 28.8296 -5.54359 24.3901 -5.54352 -4.40211 -38.1499 24.3901 -38.1499 -33.1444 GPRESSAVG: 3150800 29.8757 -3.51841 24.288 -8.13216 -5.00877 -39.4311 24.0232 -37.3932 -32.9051 TIMING: 3150800 CPU: 9413.37, 0.00300086/step Wall: 9413.37, 0.00300086/step, 1.54144 hours remaining, 205.621094 MB of memory in use. ENERGY: 3150800 760.7220 2107.0170 1929.6788 119.2067 -206024.9498 17589.0309 0.0000 0.0000 34267.8678 -149251.4266 299.2698 -183519.2944 -149158.3804 299.9041 -326.6814 -291.0480 559448.7713 -2.9056 -2.6794 PRESSURE: 3151000 67.7143 66.4168 46.7932 66.4172 70.0847 -15.7905 46.793 -15.7897 -22.5455 GPRESSURE: 3151000 157.814 157.328 66.8616 -41.7299 62.0164 -32.8454 -64.2793 -8.88272 -9.31907 PRESSAVG: 3151000 39.0794 -26.5898 -29.1808 -26.5897 26.6545 17.6565 -29.1808 17.6565 -38.2925 GPRESSAVG: 3151000 38.1109 -24.9576 -29.2222 -25.7707 28.9225 18.1119 -28.8187 17.3132 -39.3565 TIMING: 3151000 CPU: 9413.97, 0.00301086/step Wall: 9413.97, 0.00301086/step, 1.54641 hours remaining, 205.621094 MB of memory in use. ENERGY: 3151000 725.6262 2037.1783 1934.2044 99.8682 -206289.2526 17858.4234 0.0000 0.0000 34208.7648 -149425.1872 298.7537 -183633.9520 -149324.5872 298.5347 38.4178 70.1706 557369.0160 9.1471 9.2256 PRESSURE: 3151200 -49.8823 168.429 -68.7936 168.429 94.5799 -7.84309 -68.7935 -7.84309 -187.407 GPRESSURE: 3151200 -13.9368 134.141 -93.7133 138.475 93.0426 -19.3513 36.9801 -89.0976 -128.164 PRESSAVG: 3151200 73.7539 9.82077 -44.6529 9.82075 16.3627 22.6063 -44.6529 22.6064 -56.8546 GPRESSAVG: 3151200 75.1783 6.63481 -46.2734 11.4747 15.1048 22.3508 -43.6396 22.5397 -55.8991 TIMING: 3151200 CPU: 9414.58, 0.00302366/step Wall: 9414.58, 0.00302366/step, 1.55282 hours remaining, 205.621094 MB of memory in use. ENERGY: 3151200 736.4733 2030.7898 1909.6311 107.8310 -206177.8921 17769.0245 0.0000 0.0000 34182.5209 -149441.6214 298.5245 -183624.1424 -149346.4843 298.0731 -47.5696 -16.3527 558170.2325 11.0873 11.4613 PRESSURE: 3151400 59.1896 -197.51 -102.617 -197.509 304.467 -20.0068 -102.617 -20.0063 -151.249 GPRESSURE: 3151400 129.677 -136.447 52.429 -212.257 303.573 -30.6173 -148.113 6.84204 -108.791 PRESSAVG: 3151400 65.2313 50.3128 -43.3411 50.3128 -33.0256 68.169 -43.3412 68.169 -30.2301 GPRESSAVG: 3151400 63.4603 54.2942 -43.4571 49.035 -31.7922 68.1348 -42.1889 68.6797 -29.5684 TIMING: 3151400 CPU: 9415.18, 0.00303216/step Wall: 9415.18, 0.00303216/step, 1.55701 hours remaining, 205.621094 MB of memory in use. ENERGY: 3151400 730.1589 2131.5877 1944.1217 105.3694 -206868.0823 18253.2396 0.0000 0.0000 34296.7149 -149406.8902 299.5217 -183703.6051 -149310.7581 298.5187 70.8026 108.1527 557504.9161 0.6586 0.6999 PRESSURE: 3151600 -10.8828 -3.88927 277.013 -3.88971 -355.657 49.1561 277.013 49.1559 -22.2478 GPRESSURE: 3151600 0.198729 -32.8734 226.164 83.6609 -313.289 1.87873 188.15 126.091 30.0368 PRESSAVG: 3151600 -76.4612 18.8957 -13.3105 18.8957 -12.2993 27.7453 -13.3104 27.7453 41.2233 GPRESSAVG: 3151600 -74.0887 16.8534 -10.3334 18.5811 -14.3886 27.7404 -16.4394 27.6849 40.8968 TIMING: 3151600 CPU: 9415.79, 0.00303518/step Wall: 9415.79, 0.00303518/step, 1.5584 hours remaining, 205.621094 MB of memory in use. ENERGY: 3151600 759.7677 2059.2943 1958.1566 103.2462 -206511.7090 17898.2784 0.0000 0.0000 34142.0151 -149590.9507 298.1707 -183732.9658 -149492.7822 298.6831 -129.5959 -94.3513 556966.6298 -15.8457 -15.8602 PRESSURE: 3151800 105.252 27.9186 -148.316 27.9191 -108.791 9.55087 -148.315 9.55111 86.1315 GPRESSURE: 3151800 171.854 40.4756 -114.99 19.334 -102.029 -32.2687 -156.87 5.63644 112.255 PRESSAVG: 3151800 -45.4724 31.7336 -18.4222 31.7336 39.1696 29.9667 -18.4222 29.9667 25.2537 GPRESSAVG: 3151800 -45.693 32.7987 -18.4074 32.171 39.8095 31.5253 -17.7669 29.6093 24.8151 TIMING: 3151800 CPU: 9416.39, 0.00298708/step Wall: 9416.39, 0.00298708/step, 1.53353 hours remaining, 205.621094 MB of memory in use. ENERGY: 3151800 724.8457 2101.1978 1944.3322 111.9039 -206564.2043 17927.7236 0.0000 0.0000 34150.3698 -149603.8312 298.2437 -183754.2010 -149510.2211 298.3725 27.5309 60.6931 556681.4963 6.3170 6.3105 PRESSURE: 3152000 396.133 125.465 137.858 125.464 110.035 -25.0917 137.858 -25.0923 122.554 GPRESSURE: 3152000 407.678 161.697 166.265 94.5409 210.034 2.50891 68.7061 -60.6868 102.417 PRESSAVG: 3152000 -20.3431 28.1802 21.42 28.1802 4.20117 -60.1651 21.42 -60.165 17.4203 GPRESSAVG: 3152000 -22.1409 27.1552 18.1399 29.3063 5.63409 -59.3645 22.9531 -59.5333 17.7096 TIMING: 3152000 CPU: 9416.98, 0.00298594/step Wall: 9416.98, 0.00298594/step, 1.53278 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: 3152000 707.0932 2129.6183 1944.6566 116.2910 -206804.6814 18001.7208 0.0000 0.0000 34432.3392 -149472.9623 300.7062 -183905.3015 -149375.8157 298.8179 209.5740 240.0431 554043.3645 0.4261 0.4009 PRESSURE: 3152200 167.621 95.6532 -73.8302 95.6539 146.912 -18.8192 -73.8294 -18.8188 -55.497 GPRESSURE: 3152200 155.064 151.498 0.383273 54.1686 177.457 -42.7957 -151.395 7.9354 35.4231 PRESSAVG: 3152200 34.7784 32.5153 26.1559 32.5153 17.9695 48.8848 26.1558 48.8849 -5.64859 GPRESSAVG: 3152200 35.4166 34.5391 27.3941 31.3403 17.7278 47.3936 24.6713 49.2401 -5.5504 TIMING: 3152200 CPU: 9417.59, 0.00302183/step Wall: 9417.59, 0.00302183/step, 1.55104 hours remaining, 205.621094 MB of memory in use. ENERGY: 3152200 743.1449 2139.0882 1957.1461 104.2722 -206596.9681 17958.0529 0.0000 0.0000 34264.9508 -149430.3131 299.2443 -183695.2639 -149328.9377 299.5050 86.3453 122.6480 555271.5239 15.6998 15.8647 LDB: ============= START OF LOAD BALANCING ============== 9421.02 LDB: ============== END OF LOAD BALANCING =============== 9421.02 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9421.02 LDB: ============= START OF LOAD BALANCING ============== 9421.32 LDB: Largest compute 4819 load 0.028134 is 23.8% of average load 0.118170 LDB: Average compute 0.001742 is 1.5% of average load 0.118170 LDB: TIME 9421.33 LOAD: AVG 0.11817 MAX 0.205984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 9421.33 LOAD: AVG 0.11817 MAX 0.205984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: TIME 9421.33 LOAD: AVG 0.11817 MAX 0.205984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: ============== END OF LOAD BALANCING =============== 9421.33 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9421.33 PRESSURE: 3152400 -321.282 131.09 -44.6494 131.09 147.092 38.4965 -44.6501 38.4963 84.165 GPRESSURE: 3152400 -187.886 155.727 -100.714 148.777 165.094 -53.5393 -76.4421 157.388 34.9515 PRESSAVG: 3152400 15.2775 40.2621 -35.4038 40.2621 21.0976 -50.516 -35.4039 -50.5159 -16.3729 GPRESSAVG: 3152400 15.0095 39.169 -36.0177 42.266 21.7094 -53.0718 -35.9841 -49.2581 -16.914 TIMING: 3152400 CPU: 9418.2, 0.00307633/step Wall: 9418.2, 0.00307633/step, 1.57884 hours remaining, 207.484375 MB of memory in use. ENERGY: 3152400 782.9064 2043.8848 1946.3202 117.8208 -206590.2451 18043.0253 0.0000 0.0000 34175.7558 -149480.5317 298.4654 -183656.2876 -149382.9973 299.2398 -30.0085 4.0533 556991.4233 6.6674 6.6016 PRESSURE: 3152600 -286.907 -86.7853 -162.439 -86.7845 46.4812 -16.4139 -162.441 -16.4142 -12.2987 GPRESSURE: 3152600 -241.447 -78.3511 -247.242 -20.9016 108.501 -23.5917 -100.298 11.3958 -25.9271 PRESSAVG: 3152600 70.3632 61.0784 -6.95036 61.0784 -1.55754 -19.5608 -6.95036 -19.5606 -73.9473 GPRESSAVG: 3152600 70.5251 61.3401 -7.01583 56.3457 -1.03071 -16.8142 -6.42372 -22.079 -74.1709 TIMING: 3152600 CPU: 9418.81, 0.00303449/step Wall: 9418.81, 0.00303449/step, 1.5572 hours remaining, 207.484375 MB of memory in use. ENERGY: 3152600 777.9466 2124.7367 1952.8370 114.9616 -206837.7077 17978.3094 0.0000 0.0000 34201.9207 -149686.9958 298.6939 -183888.9165 -149593.2748 299.1792 -84.2416 -52.9575 557456.1818 -1.7139 -1.5588 PRESSURE: 3152800 -243.447 37.447 -128.242 37.4477 -23.4018 -13.1844 -128.243 -13.1834 -252.605 GPRESSURE: 3152800 -131.512 29.4895 -150.852 60.6856 -47.9201 -69.2223 -101.363 -4.03045 -235.789 PRESSAVG: 3152800 -17.0756 16.5387 -26.3091 16.5388 28.1891 -21.3476 -26.3091 -21.3475 11.2914 GPRESSAVG: 3152800 -16.8108 16.3452 -26.0623 17.5283 26.8158 -19.7461 -25.8665 -20.4783 12.2194 TIMING: 3152800 CPU: 9419.42, 0.003025/step Wall: 9419.42, 0.003025/step, 1.55216 hours remaining, 207.484375 MB of memory in use. ENERGY: 3152800 743.9003 2056.2822 1938.2274 116.8509 -206370.5272 17627.1825 0.0000 0.0000 34226.0368 -149662.0471 298.9045 -183888.0838 -149565.3117 298.0065 -173.1510 -138.4071 556635.9631 7.4683 7.4081 PRESSURE: 3153000 -185.17 188.422 119.345 188.421 -67.5717 -63.9227 119.344 -63.9229 -195.623 GPRESSURE: 3153000 -142.344 247.416 57.9022 158.765 -63.5943 15.5489 180.486 -122.102 -141.918 PRESSAVG: 3153000 -17.7135 17.8192 -40.8168 17.8192 55.1388 -44.5359 -40.8167 -44.5359 5.35527 GPRESSAVG: 3153000 -18.3905 18.3304 -41.8984 17.5531 56.8319 -45.6031 -38.7875 -45.0407 4.3572 TIMING: 3153000 CPU: 9420.02, 0.00301352/step Wall: 9420.02, 0.00301352/step, 1.5461 hours remaining, 207.484375 MB of memory in use. ENERGY: 3153000 728.7208 2138.5388 1942.8469 109.2863 -206052.0090 17589.9571 0.0000 0.0000 33935.6251 -149607.0340 296.3683 -183542.6590 -149520.1778 297.6532 -149.4550 -115.9520 557670.9409 14.2602 14.2662 PRESSURE: 3153200 -153.356 -42.1913 108.136 -42.1918 7.2688 61.5505 108.137 61.5514 56.9922 GPRESSURE: 3153200 -100.744 4.85971 137.409 -45.8952 12.5493 4.93337 34.7487 96.5066 101.876 PRESSAVG: 3153200 12.8395 -16.9466 -35.7283 -16.9466 -32.8135 -14.9146 -35.7283 -14.9146 -3.62394 GPRESSAVG: 3153200 13.4018 -16.925 -36.1486 -14.7511 -33.2961 -15.1914 -38.4368 -15.7054 -3.63922 TIMING: 3153200 CPU: 9420.62, 0.0030181/step Wall: 9420.62, 0.0030181/step, 1.54829 hours remaining, 207.484375 MB of memory in use. ENERGY: 3153200 744.5025 2128.4401 1946.8039 134.2329 -206251.6183 17819.9792 0.0000 0.0000 33864.7432 -149612.9165 295.7492 -183477.6597 -149520.0462 297.8806 -29.6984 4.5604 557485.1119 -7.8660 -7.8445 PRESSURE: 3153400 116.454 79.1043 42.7678 79.1044 -130.957 -67.372 42.7671 -67.3717 -24.3996 GPRESSURE: 3153400 205.334 81.6223 -42.3368 120.485 -122.041 -87.3143 6.78807 24.3925 -24.3106 PRESSAVG: 3153400 9.32071 12.9047 -25.0009 12.9047 8.62348 18.3814 -25.0009 18.3814 -40.8394 GPRESSAVG: 3153400 8.66008 12.0904 -23.7814 11.2353 8.56473 17.9075 -24.7302 19.0787 -40.5174 TIMING: 3153400 CPU: 9421.22, 0.00300815/step Wall: 9421.22, 0.00300815/step, 1.54301 hours remaining, 207.484375 MB of memory in use. ENERGY: 3153400 744.9716 2078.2475 1928.6517 121.6728 -206664.2849 17877.8107 0.0000 0.0000 34161.1138 -149751.8169 298.3375 -183912.9307 -149660.0315 298.2365 -12.9677 19.6609 556717.1087 -7.6317 -7.7642 PRESSURE: 3153600 -164.449 25.5152 -41.3336 25.5155 175.568 132.141 -41.3336 132.142 103.195 GPRESSURE: 3153600 -124.843 64.2732 -138.861 44.3339 210.149 139.709 97.1215 173.929 127.156 PRESSAVG: 3153600 -9.01495 29.8568 -71.6635 29.8567 34.8534 14.612 -71.6636 14.612 -29.7637 GPRESSAVG: 3153600 -8.64611 29.3985 -73.9012 29.0466 34.766 14.9357 -68.3523 16.4049 -30.0576 TIMING: 3153600 CPU: 9421.83, 0.00301046/step Wall: 9421.83, 0.00301046/step, 1.54403 hours remaining, 207.484375 MB of memory in use. ENERGY: 3153600 767.0872 2135.9064 1936.3776 116.7659 -206835.0804 18075.1415 0.0000 0.0000 34229.2940 -149574.5077 298.9329 -183803.8017 -149476.1981 298.3179 38.1045 70.8210 557700.0753 -1.3084 -1.3126 PRESSURE: 3153800 -64.7942 54.7571 38.098 54.7583 138.232 45.9594 38.0984 45.9576 150.937 GPRESSURE: 3153800 -30.1276 -22.224 60.6166 117.154 179.829 57.7465 89.6636 43.8368 171.823 PRESSAVG: 3153800 15.1273 42.1394 -3.08355 42.1395 37.1692 5.95117 -3.08346 5.95107 6.95841 GPRESSAVG: 3153800 14.689 40.8538 0.549132 43.8926 39.194 6.0024 -5.81412 3.8164 6.60845 TIMING: 3153800 CPU: 9422.43, 0.00301702/step Wall: 9422.43, 0.00301702/step, 1.54723 hours remaining, 207.484375 MB of memory in use. ENERGY: 3153800 781.3137 2091.0321 1930.7241 94.1838 -207042.6899 18078.9548 0.0000 0.0000 34357.9530 -149708.5283 300.0565 -184066.4813 -149611.8018 298.3644 74.7914 107.1746 556771.7296 19.7516 20.1638 PRESSURE: 3154000 -66.1193 179.377 18.9779 179.375 -118.995 59.0375 18.9771 59.0389 -23.2251 GPRESSURE: 3154000 -27.2935 141.077 61.3042 139.459 -103.722 76.9779 41.8061 47.1126 19.0535 PRESSAVG: 3154000 67.4181 77.3191 22.2097 77.319 -15.6044 32.0547 22.2097 32.0547 -34.0275 GPRESSAVG: 3154000 68.1117 79.3174 21.3637 75.0911 -17.4399 33.7909 23.0871 32.4698 -32.866 TIMING: 3154000 CPU: 9423.03, 0.00301632/step Wall: 9423.03, 0.00301632/step, 1.5467 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: 3154000 774.2155 2070.9473 1927.4077 112.0208 -206551.1292 17945.4210 0.0000 0.0000 33826.7070 -149894.4099 295.4170 -183721.1169 -149805.9006 297.3885 -69.4466 -37.3208 557955.7203 5.9287 5.9353 PRESSURE: 3154200 172.115 16.8926 -97.4824 16.892 284.858 57.7471 -97.4821 57.7489 -258.085 GPRESSURE: 3154200 217.697 16.3891 -62.128 -13.787 245.645 5.6836 -61.0587 13.6083 -158.259 PRESSAVG: 3154200 12.5055 30.0692 12.4178 30.0691 28.2055 32.515 12.4178 32.515 -49.1857 GPRESSAVG: 3154200 11.3907 30.7859 12.3416 32.8401 28.952 31.7683 12.3132 31.8096 -48.7147 TIMING: 3154200 CPU: 9423.64, 0.00304472/step Wall: 9423.64, 0.00304472/step, 1.56109 hours remaining, 207.484375 MB of memory in use. ENERGY: 3154200 742.0181 2117.5820 1919.1270 117.7523 -206724.8502 18018.6639 0.0000 0.0000 33918.0603 -149891.6466 296.2149 -183809.7069 -149792.7659 297.0305 66.2960 101.6942 557144.6281 -2.8249 -2.7907 PRESSURE: 3154400 188.675 42.8965 81.4677 42.8959 -101.839 -76.4431 81.4679 -76.4411 59.5162 GPRESSURE: 3154400 184.207 109.303 105.037 -13.9067 -88.1298 -168.649 6.14862 -82.4921 145.024 PRESSAVG: 3154400 -9.13798 34.5792 16.1252 34.5791 -3.08578 35.2373 16.1251 35.2373 -13.853 GPRESSAVG: 3154400 -8.35843 32.9102 16.0494 34.6008 -3.58251 34.066 16.3893 36.7515 -13.4028 TIMING: 3154400 CPU: 9424.25, 0.00301877/step Wall: 9424.25, 0.00301877/step, 1.54762 hours remaining, 207.484375 MB of memory in use. ENERGY: 3154400 737.9202 2125.2111 1941.5939 107.9073 -207073.1914 18169.1504 0.0000 0.0000 34265.7628 -149725.6457 299.2514 -183991.4086 -149631.5601 297.8332 48.7840 80.3670 556566.0877 -8.6923 -8.4479 PRESSURE: 3154600 3.10891 86.4694 169.259 86.4688 98.2605 -18.5898 169.26 -18.5913 -42.4406 GPRESSURE: 3154600 66.0793 141.803 68.8535 83.97 56.8145 -19.8802 158.636 -73.2097 24.1743 PRESSAVG: 3154600 38.8483 7.26698 6.04297 7.26697 -46.21 -79.5725 6.04297 -79.5725 -1.41075 GPRESSAVG: 3154600 38.981 7.09282 5.45327 6.42568 -46.256 -77.2087 5.5908 -80.5145 -1.38874 TIMING: 3154600 CPU: 9424.85, 0.00302123/step Wall: 9424.85, 0.00302123/step, 1.54872 hours remaining, 207.484375 MB of memory in use. ENERGY: 3154600 714.8677 2156.1002 1953.5794 127.7411 -206607.8888 17919.9003 0.0000 0.0000 34167.6849 -149568.0153 298.3949 -183735.7002 -149465.0908 298.1552 19.6429 49.0227 557549.3704 -2.9241 -2.8879 PRESSURE: 3154800 -248.668 -59.4355 105.682 -59.4352 73.3265 108.072 105.682 108.072 73.9011 GPRESSURE: 3154800 -192.308 -100.094 116.08 15.9993 36.302 144.257 83.7174 44.375 151.593 PRESSAVG: 3154800 -20.5837 37.7278 5.96243 37.7278 64.3278 -17.7384 5.96245 -17.7383 -7.85004 GPRESSAVG: 3154800 -19.4921 37.5361 5.9372 38.127 64.6039 -19.6897 4.82044 -19.3431 -8.68115 TIMING: 3154800 CPU: 9425.45, 0.00301909/step Wall: 9425.45, 0.00301909/step, 1.54745 hours remaining, 207.484375 MB of memory in use. ENERGY: 3154800 761.1438 2149.8496 1950.3312 114.9005 -207072.8211 18122.5754 0.0000 0.0000 34185.9408 -149788.0798 298.5543 -183974.0206 -149695.7328 298.2329 -33.8135 -1.4712 556221.2376 11.9647 12.1435 PRESSURE: 3155000 -249.262 -104.672 -239.59 -104.673 -46.0832 -104.175 -239.589 -104.176 -31.437 GPRESSURE: 3155000 -168.348 -69.4352 -206.361 -70.0191 -28.9726 -115.933 -188.694 -102.798 -36.0301 PRESSAVG: 3155000 67.3042 -18.7575 21.2911 -18.7574 23.0925 -20.7357 21.2911 -20.7356 -73.2797 GPRESSAVG: 3155000 66.2237 -17.0966 23.0156 -19.0587 23.145 -20.5775 21.7529 -19.6527 -71.9789 TIMING: 3155000 CPU: 9426.05, 0.00299796/step Wall: 9426.05, 0.00299796/step, 1.53645 hours remaining, 207.484375 MB of memory in use. ENERGY: 3155000 772.2812 2118.8343 1944.7384 107.1300 -206629.8250 17786.1461 0.0000 0.0000 34035.1678 -149865.5273 297.2376 -183900.6951 -149766.1245 297.9130 -108.9276 -77.7836 554962.5426 5.7057 5.7966 PRESSURE: 3155200 -21.4282 198.407 -128.008 198.407 62.7716 124.823 -128.008 124.822 -201.75 GPRESSURE: 3155200 10.9153 111.514 -57.322 150.122 73.3307 24.9988 -166.493 163.104 -147.545 PRESSAVG: 3155200 73.3689 20.6757 33.5177 20.6757 -38.7591 33.8806 33.5177 33.8806 -45.935 GPRESSAVG: 3155200 73.0206 18.4782 32.2398 21.0846 -38.2466 33.5254 31.8099 33.1068 -46.3428 TIMING: 3155200 CPU: 9426.65, 0.00300566/step Wall: 9426.65, 0.00300566/step, 1.54023 hours remaining, 207.484375 MB of memory in use. ENERGY: 3155200 802.1966 2101.6477 1917.8952 107.9037 -206780.3018 17837.4923 0.0000 0.0000 34146.5337 -149866.6325 298.2102 -184013.1662 -149779.9887 297.8975 -53.4689 -21.0996 556332.3533 -3.7751 -3.8563 PRESSURE: 3155400 -218.949 -115.578 55.9605 -115.577 -117.915 -7.60427 55.9608 -7.60353 -164.712 GPRESSURE: 3155400 -169.156 -59.5878 -35.6695 -122.092 -66.4014 6.68008 114.928 -14.9455 -167.337 PRESSAVG: 3155400 29.2628 -20.3035 -55.4998 -20.3034 52.0375 23.8184 -55.4999 23.8184 -63.4596 GPRESSAVG: 3155400 30.4719 -19.2199 -54.444 -19.7441 51.3538 23.5652 -51.7657 25.2698 -63.9473 TIMING: 3155400 CPU: 9427.26, 0.0030154/step Wall: 9427.26, 0.0030154/step, 1.54506 hours remaining, 207.484375 MB of memory in use. ENERGY: 3155400 745.9183 2141.7947 1933.1761 115.0041 -206488.2045 17598.0430 0.0000 0.0000 34035.5413 -149918.7268 297.2408 -183954.2681 -149817.5554 297.7804 -167.1921 -134.2979 557423.0542 5.9469 5.9595 PRESSURE: 3155600 55.9553 -46.4997 -23.9404 -46.4988 151.602 154.506 -23.9408 154.503 99.8807 GPRESSURE: 3155600 52.8308 12.5888 -21.0495 -89.4877 148.389 103.838 0.912042 205.106 189.281 PRESSAVG: 3155600 81.0214 -27.7696 -0.303308 -27.7695 -13.4293 48.14 -0.303312 48.14 -36.8517 GPRESSAVG: 3155600 80.2255 -26.6728 -0.167578 -27.9825 -12.2124 47.9557 -1.32677 48.8285 -37.3171 TIMING: 3155600 CPU: 9427.86, 0.00302043/step Wall: 9427.86, 0.00302043/step, 1.54747 hours remaining, 207.484375 MB of memory in use. ENERGY: 3155600 758.8816 2168.9268 1904.2133 103.9649 -207000.7628 18014.9232 0.0000 0.0000 33939.1070 -150110.7460 296.3987 -184049.8530 -150008.0177 297.6732 102.4792 130.1671 555566.2736 10.2468 10.2320 PRESSURE: 3155800 95.2831 91.6012 -64.0822 91.6005 -144.832 -51.8391 -64.0817 -51.8393 -131.912 GPRESSURE: 3155800 144.313 32.5901 8.09288 114.818 -137.397 -109.094 -63.4206 -64.8004 -83.8545 PRESSAVG: 3155800 -17.815 -32.2745 -23.5744 -32.2746 -7.66884 26.4492 -23.5744 26.4492 63.4732 GPRESSAVG: 3155800 -16.7564 -34.3892 -26.3829 -31.6581 -9.30095 27.9302 -24.7569 26.0148 64.4388 TIMING: 3155800 CPU: 9428.46, 0.00298008/step Wall: 9428.46, 0.00298008/step, 1.52663 hours remaining, 207.484375 MB of memory in use. ENERGY: 3155800 729.7604 2084.7252 1922.1735 107.5960 -207061.8426 17942.7738 0.0000 0.0000 34095.5820 -150179.2316 297.7652 -184274.8137 -150085.2284 296.8621 -60.4871 -25.6461 555118.7410 12.6631 12.7938 PRESSURE: 3156000 -160.367 16.3239 -101.155 16.3252 -142.749 -90.158 -101.155 -90.1583 44.961 GPRESSURE: 3156000 -119.015 27.6197 -62.9123 -15.8418 -95.4346 -140.348 -119.916 -31.0797 56.752 PRESSAVG: 3156000 43.1689 -22.7877 -15.2848 -22.7877 -2.8485 31.0664 -15.2849 31.0663 -22.7327 GPRESSAVG: 3156000 42.0613 -22.0702 -14.9838 -25.6115 -1.36596 29.8633 -13.0549 31.6288 -23.0039 TIMING: 3156000 CPU: 9429.06, 0.0030032/step Wall: 9429.06, 0.0030032/step, 1.5383 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: 3156000 770.3032 2108.9078 1950.9814 105.2571 -206634.7705 17786.5755 0.0000 0.0000 33986.6063 -149926.1394 296.8135 -183912.7456 -149829.2311 297.4355 -86.0519 -52.5657 556535.7244 5.8626 5.8971 PRESSURE: 3156200 -453.461 35.1718 -52.7594 35.1711 120.674 60.3976 -52.7596 60.3982 -208.017 GPRESSURE: 3156200 -464.829 45.8189 -16.4632 21.2832 131.566 107.318 -129.582 -37.7181 -114.383 PRESSAVG: 3156200 18.3535 -33.104 -29.5048 -33.1039 52.8971 3.441 -29.5048 3.44116 -29.167 GPRESSAVG: 3156200 18.1389 -32.7021 -29.2137 -31.7668 52.2491 4.49682 -30.6065 2.66142 -28.2871 TIMING: 3156200 CPU: 9429.66, 0.00300415/step Wall: 9429.66, 0.00300415/step, 1.53863 hours remaining, 207.484375 MB of memory in use. ENERGY: 3156200 748.6910 2061.6850 1928.2808 119.6501 -205949.0455 17497.9391 0.0000 0.0000 33878.1569 -149714.6425 295.8664 -183592.7994 -149621.1179 297.6399 -180.2683 -149.2150 558167.0104 14.0279 14.0336 LDB: ============= START OF LOAD BALANCING ============== 9433.09 LDB: ============== END OF LOAD BALANCING =============== 9433.09 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9433.09 LDB: ============= START OF LOAD BALANCING ============== 9433.39 LDB: Largest compute 4821 load 0.027800 is 23.6% of average load 0.118024 LDB: Average compute 0.001743 is 1.5% of average load 0.118024 LDB: TIME 9433.39 LOAD: AVG 0.118024 MAX 0.204934 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 9433.39 LOAD: AVG 0.118024 MAX 0.204934 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: TIME 9433.39 LOAD: AVG 0.118024 MAX 0.204934 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: ============== END OF LOAD BALANCING =============== 9433.39 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9433.39 PRESSURE: 3156400 -236.321 -77.565 -30.1696 -77.5654 -55.953 -14.0685 -30.1713 -14.0676 -64.2195 GPRESSURE: 3156400 -251.191 -134.815 12.3468 -11.2362 -11.7112 74.2054 4.83045 -119.962 -9.81255 PRESSAVG: 3156400 -38.9512 -41.754 -18.4471 -41.754 60.9295 -1.93737 -18.4472 -1.93722 0.850912 GPRESSAVG: 3156400 -38.7134 -41.8436 -17.1072 -39.8036 61.0456 -1.12746 -18.6194 -1.70386 -0.134894 TIMING: 3156400 CPU: 9430.27, 0.00303338/step Wall: 9430.27, 0.00303338/step, 1.55343 hours remaining, 206.964844 MB of memory in use. ENERGY: 3156400 725.1653 2106.2144 1906.2365 114.9773 -206504.3954 17760.9522 0.0000 0.0000 34103.7206 -149787.1292 297.8363 -183890.8498 -149700.4861 297.5808 -118.8312 -90.9049 556553.8934 7.6097 7.3991 PRESSURE: 3156600 85.2028 -224.999 -37.4117 -224.998 -194.328 -45.5656 -37.4107 -45.5646 24.3897 GPRESSURE: 3156600 118.94 -172.862 -9.33385 -268.842 -162.658 -20.2725 3.47496 -73.682 55.6317 PRESSAVG: 3156600 -2.89534 -41.5828 27.5114 -41.5828 -53.206 -25.2989 27.5114 -25.2989 35.0112 GPRESSAVG: 3156600 -3.01272 -41.0353 26.6732 -43.8406 -52.5887 -27.5038 27.9751 -24.7403 34.7125 TIMING: 3156600 CPU: 9430.86, 0.00298215/step Wall: 9430.86, 0.00298215/step, 1.52703 hours remaining, 207.164062 MB of memory in use. ENERGY: 3156600 747.3691 2054.7886 1933.4879 108.4306 -206625.2138 17923.2905 0.0000 0.0000 34139.1354 -149718.7117 298.1456 -183857.8471 -149617.9300 297.1773 -28.2450 3.9712 556476.2525 -7.0300 -6.9630 PRESSURE: 3156800 -90.9795 -180.814 -57.3282 -180.813 -5.80609 83.1291 -57.3288 83.1298 -210.585 GPRESSURE: 3156800 -58.0878 -145.079 -80.9127 -184.843 7.38437 88.1555 -46.0988 72.2119 -155.514 PRESSAVG: 3156800 -71.9363 -2.56058 31.5323 -2.56052 65.7629 -18.1482 31.5323 -18.1482 -13.2753 GPRESSAVG: 3156800 -71.0372 -1.69451 31.987 -3.44586 64.8237 -17.1592 32.3642 -19.938 -13.0987 TIMING: 3156800 CPU: 9431.47, 0.00302185/step Wall: 9431.47, 0.00302185/step, 1.54719 hours remaining, 207.164062 MB of memory in use. ENERGY: 3156800 731.8331 2059.6160 1934.1443 104.7626 -206431.6119 17741.4848 0.0000 0.0000 34219.5881 -149640.1831 298.8482 -183859.7712 -149539.3850 297.7472 -102.4568 -68.7391 556471.5673 -6.4829 -6.4374 PRESSURE: 3157000 195.216 -56.2653 41.559 -56.2664 -64.4635 102.925 41.5584 102.923 88.8719 GPRESSURE: 3157000 222.736 -90.8832 66.2313 -37.1904 -35.7283 42.8748 42.646 147.575 121.049 PRESSAVG: 3157000 -2.26777 6.3779 -5.95617 6.37788 80.894 73.717 -5.95616 73.7169 -67.3366 GPRESSAVG: 3157000 -3.46084 3.10832 -5.74016 8.11708 81.2265 74.08 -6.74036 74.4366 -66.2751 TIMING: 3157000 CPU: 9432.07, 0.00302142/step Wall: 9432.07, 0.00302142/step, 1.5468 hours remaining, 207.164062 MB of memory in use. ENERGY: 3157000 719.3630 2068.1520 1908.7749 112.5265 -206246.4232 17746.7871 0.0000 0.0000 34212.8975 -149477.9222 298.7897 -183690.8197 -149379.9667 297.9180 73.2081 102.6854 555594.3084 3.7632 3.8302 PRESSURE: 3157200 -230.696 129.248 -47.9312 129.248 -382.144 -17.4902 -47.9313 -17.4901 -198.012 GPRESSURE: 3157200 -141.231 114.388 -53.9436 125.995 -350.445 -48.252 -90.4722 30.1493 -224.55 PRESSAVG: 3157200 60.2688 26.7303 -13.9272 26.7303 62.2142 21.3391 -13.9271 21.339 -88.8927 GPRESSAVG: 3157200 61.9052 29.8625 -15.5717 25.3259 62.6335 22.0697 -14.0747 20.9423 -90.6008 TIMING: 3157200 CPU: 9432.67, 0.00300181/step Wall: 9432.67, 0.00300181/step, 1.53659 hours remaining, 207.164062 MB of memory in use. ENERGY: 3157200 806.6963 2079.9257 1960.9850 113.4401 -206211.3993 17658.9175 0.0000 0.0000 34032.2701 -149559.1647 297.2123 -183591.4348 -149468.8697 298.3175 -270.2839 -238.7423 557344.5901 11.1968 11.3126 PRESSURE: 3157400 -141.423 -20.1349 12.5271 -20.1353 -176.044 -72.1484 12.527 -72.1488 16.756 GPRESSURE: 3157400 -112.397 -79.8372 83.6997 24.108 -143.298 -129.236 -76.1752 11.8418 67.0881 PRESSAVG: 3157400 38.8051 -25.2875 -53.1972 -25.2874 39.8807 33.6962 -53.1973 33.6962 -59.7672 GPRESSAVG: 3157400 38.6142 -26.6384 -51.3259 -25.7797 39.81 33.9288 -52.6973 32.7886 -59.6738 TIMING: 3157400 CPU: 9433.27, 0.00298603/step Wall: 9433.27, 0.00298603/step, 1.52835 hours remaining, 207.164062 MB of memory in use. ENERGY: 3157400 750.4058 2092.3187 1964.7827 102.7009 -205977.8445 17561.2832 0.0000 0.0000 33990.7955 -149515.5578 296.8501 -183506.3533 -149412.5731 298.0578 -100.2372 -62.8690 555620.8602 6.3062 6.2501 PRESSURE: 3157600 -75.027 -33.862 134.27 -33.8614 -159.661 119.203 134.271 119.201 -75.0346 GPRESSURE: 3157600 -74.6733 -65.3816 138.954 -50.9654 -136.325 121.397 83.7231 146.059 -6.69016 PRESSAVG: 3157600 34.1015 34.1612 -14.3669 34.1613 37.3539 46.342 -14.3669 46.3419 -68.2153 GPRESSAVG: 3157600 34.3985 33.6218 -14.8742 34.632 36.4251 46.3288 -16.2494 47.0758 -67.4155 TIMING: 3157600 CPU: 9433.87, 0.00299134/step Wall: 9433.87, 0.00299134/step, 1.5309 hours remaining, 207.164062 MB of memory in use. ENERGY: 3157600 756.3126 2128.7503 1943.1636 110.1548 -206502.4607 17862.7414 0.0000 0.0000 34319.8149 -149381.5231 299.7235 -183701.3380 -149291.4903 298.5930 -103.2408 -72.5630 555993.3636 1.0800 1.1361 PRESSURE: 3157800 207.869 -141.735 24.436 -141.735 98.3196 -232.363 24.4363 -232.362 106.615 GPRESSURE: 3157800 222.929 -170.419 93.9554 -39.485 158.047 -231.532 -63.8998 -278.013 120.632 PRESSAVG: 3157800 -9.7418 26.2124 -44.7146 26.2124 -10.3791 4.59547 -44.7146 4.59553 14.3266 GPRESSAVG: 3157800 -9.72594 29.387 -45.6406 27.5033 -10.0589 4.4652 -42.554 4.60501 14.5973 TIMING: 3157800 CPU: 9434.47, 0.00300556/step Wall: 9434.47, 0.00300556/step, 1.53801 hours remaining, 207.164062 MB of memory in use. ENERGY: 3157800 749.2087 2101.3667 1950.0118 121.4470 -206493.2959 18084.7688 0.0000 0.0000 34319.4441 -149167.0487 299.7202 -183486.4928 -149078.8990 298.7015 137.6011 167.2029 555453.0935 -1.9314 -1.7292 PRESSURE: 3158000 -246.404 -98.4002 -16.5897 -98.4 87.3082 80.3775 -16.5901 80.38 140.539 GPRESSURE: 3158000 -164.087 -147.916 2.7614 -90.2604 59.1333 144.055 -87.9726 62.9405 184.798 PRESSAVG: 3158000 34.8726 1.62085 12.0642 1.62084 32.7426 8.95033 12.0642 8.95041 -76.5699 GPRESSAVG: 3158000 35.3958 -2.16605 12.1313 1.81786 32.436 7.10234 10.5512 9.48434 -76.5923 TIMING: 3158000 CPU: 9435.07, 0.00299884/step Wall: 9435.07, 0.00299884/step, 1.53441 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: 3158000 733.6748 2129.9621 1954.7236 121.9050 -206245.0496 17860.8686 0.0000 0.0000 34298.1795 -149145.7358 299.5345 -183443.9153 -149050.8883 299.7745 -6.1854 26.6149 557991.8834 -2.9849 -2.9202 PRESSURE: 3158200 108.123 -80.8097 76.4881 -80.8087 -96.7368 -113.881 76.4884 -113.881 152.618 GPRESSURE: 3158200 132.406 -125.968 104.863 -49.7282 1.18301 -94.0612 28.2617 -70.4602 128.42 PRESSAVG: 3158200 36.2886 -86.4621 -35.7279 -86.462 1.54859 0.769252 -35.728 0.769259 -9.17122 GPRESSAVG: 3158200 36.2204 -84.6603 -31.5813 -87.3937 1.23296 1.02304 -38.6322 -0.437129 -8.90059 TIMING: 3158200 CPU: 9435.67, 0.00301563/step Wall: 9435.67, 0.00301563/step, 1.54283 hours remaining, 207.164062 MB of memory in use. ENERGY: 3158200 731.2652 2126.3539 1972.7180 103.6267 -205991.4591 17821.4628 0.0000 0.0000 34014.0468 -149221.9857 297.0531 -183236.0326 -149117.8540 299.8227 54.6679 87.3366 557412.0456 9.5553 9.5176 PRESSURE: 3158400 -317.825 174.046 112.026 174.048 -55.5262 98.1825 112.025 98.1823 -98.3105 GPRESSURE: 3158400 -252.879 142.042 141.178 204.502 -77.4364 137.502 77.8447 81.6699 -59.5723 PRESSAVG: 3158400 22.3101 -21.5689 32.5975 -21.5689 -42.0758 59.6548 32.5976 59.6549 18.6364 GPRESSAVG: 3158400 21.3553 -21.4089 30.5103 -22.7422 -40.9462 58.5749 34.2421 62.5142 18.6564 TIMING: 3158400 CPU: 9436.27, 0.00301242/step Wall: 9436.27, 0.00301242/step, 1.54102 hours remaining, 207.164062 MB of memory in use. ENERGY: 3158400 759.2419 2117.6271 1935.1346 110.0367 -206021.3155 17609.8895 0.0000 0.0000 34382.1692 -149107.2166 300.2680 -183489.3857 -149006.4489 299.7702 -157.2206 -129.9625 556960.8169 -0.3764 -0.3115 PRESSURE: 3158600 -239.353 62.4762 85.1844 62.4759 -171.903 72.7226 85.1847 72.7236 178.818 GPRESSURE: 3158600 -152.929 99.0347 127.441 85.1557 -175.418 24.4498 -14.1305 197.29 202.394 PRESSAVG: 3158600 -28.5899 47.7229 73.4683 47.723 28.3144 63.3203 73.4683 63.3202 14.4612 GPRESSAVG: 3158600 -26.3093 46.2348 72.2944 47.2563 26.5924 64.8538 75.9214 61.7493 14.4611 TIMING: 3158600 CPU: 9436.88, 0.00301608/step Wall: 9436.88, 0.00301608/step, 1.54273 hours remaining, 207.164062 MB of memory in use. ENERGY: 3158600 726.3657 2116.4131 1929.6748 111.1927 -205861.8605 17640.1136 0.0000 0.0000 34233.4490 -149104.6516 298.9692 -183338.1006 -149010.3255 299.6622 -77.4793 -41.9842 558049.5576 4.7286 4.9147 PRESSURE: 3158800 -144.924 96.49 103.805 96.4906 123.384 -53.1731 103.804 -53.1717 -202.215 GPRESSURE: 3158800 -85.4667 79.9593 150.605 167.957 156.637 -63.911 127.553 -115.622 -197.408 PRESSAVG: 3158800 -28.5056 14.2175 52.074 14.2176 4.77671 2.5842 52.074 2.58432 38.1871 GPRESSAVG: 3158800 -30.4826 13.965 52.7695 15.4657 5.66699 2.80779 52.4842 0.480056 38.8436 TIMING: 3158800 CPU: 9437.48, 0.00303533/step Wall: 9437.48, 0.00303533/step, 1.5524 hours remaining, 207.164062 MB of memory in use. ENERGY: 3158800 771.3806 2060.8441 1934.6178 113.8559 -205740.9258 17579.0780 0.0000 0.0000 34294.4944 -148986.6550 299.5023 -183281.1495 -148891.7591 299.4158 -74.5849 -42.0794 557987.8857 4.8194 4.6760 PRESSURE: 3159000 83.944 -114.679 -83.6961 -114.68 125.162 -106.397 -83.6967 -106.397 -61.6223 GPRESSURE: 3159000 82.1193 -193.586 -92.0293 -162.218 174.286 -119.438 -17.0853 -133.259 -27.8804 PRESSAVG: 3159000 -1.45365 -41.6139 -3.0893 -41.6139 42.2371 -18.9031 -3.08934 -18.9032 -63.7228 GPRESSAVG: 3159000 1.00942 -39.8614 -1.08237 -42.0748 39.9302 -20.2674 -4.10345 -17.6526 -64.55 TIMING: 3159000 CPU: 9438.08, 0.00299503/step Wall: 9438.08, 0.00299503/step, 1.53163 hours remaining, 207.164062 MB of memory in use. ENERGY: 3159000 746.0205 2070.8799 1965.7559 117.7414 -205882.5359 17605.6357 0.0000 0.0000 34499.0911 -148877.4113 301.2891 -183376.5024 -148777.3833 299.9444 49.1612 76.1751 557144.7638 -7.6464 -7.8701 PRESSURE: 3159200 -107.158 -165.798 46.1139 -165.798 -164.615 8.5 46.1129 8.50091 -46.3164 GPRESSURE: 3159200 -53.111 -103.996 86.6259 -62.7905 -131.546 18.6874 -2.60379 -27.3022 -38.3683 PRESSAVG: 3159200 41.3139 10.2238 -4.64596 10.2238 12.9336 -41.1593 -4.64598 -41.1594 -28.0583 GPRESSAVG: 3159200 40.2708 8.75709 -8.13222 10.419 14.8469 -40.6476 -5.0019 -42.1066 -29.6858 TIMING: 3159200 CPU: 9438.68, 0.00300637/step Wall: 9438.68, 0.00300637/step, 1.53726 hours remaining, 207.164062 MB of memory in use. ENERGY: 3159200 714.3231 2061.7662 1944.8775 117.5519 -205365.0495 17322.2377 0.0000 0.0000 34213.7952 -148990.4978 298.7976 -183204.2931 -148894.2573 299.7539 -106.0298 -74.3418 558508.8161 8.7297 8.4773 PRESSURE: 3159400 -57.3522 9.52197 192.452 9.52294 -228.911 26.917 192.453 26.9176 -470.409 GPRESSURE: 3159400 -63.9712 -19.2293 251.47 64.9123 -178.649 -7.96417 100.611 26.2768 -405.176 PRESSAVG: 3159400 5.02818 -8.69618 9.11265 -8.69615 -14.6536 -37.2921 9.11267 -37.292 3.88158 GPRESSAVG: 3159400 3.71888 -8.11468 12.3724 -8.30663 -14.9715 -35.6407 11.0532 -37.3086 5.71505 TIMING: 3159400 CPU: 9439.29, 0.00300891/step Wall: 9439.29, 0.00300891/step, 1.53839 hours remaining, 207.164062 MB of memory in use. ENERGY: 3159400 751.7282 2011.8544 1933.2489 115.1001 -205846.8709 17332.3461 0.0000 0.0000 34459.5213 -149243.0719 300.9436 -183702.5932 -149140.6024 299.1589 -252.2242 -215.9321 558288.7392 -1.9146 -1.8459 PRESSURE: 3159600 111.479 -20.248 61.5451 -20.2475 124.22 -10.9944 61.5456 -10.9958 -30.571 GPRESSURE: 3159600 100.165 45.539 -16.6204 20.3926 154.985 -73.4773 57.8179 -14.2708 49.3473 PRESSAVG: 3159600 9.0246 29.1162 47.0346 29.1161 25.2654 20.8089 47.0345 20.8089 -42.1468 GPRESSAVG: 3159600 9.1323 28.6859 46.3753 30.2366 27.2287 19.4193 44.6881 20.5464 -43.8074 TIMING: 3159600 CPU: 9439.88, 0.00299674/step Wall: 9439.88, 0.00299674/step, 1.532 hours remaining, 207.164062 MB of memory in use. ENERGY: 3159600 733.5103 2087.4710 1941.3721 115.1176 -206476.6259 17949.8705 0.0000 0.0000 34364.1711 -149285.1132 300.1109 -183649.2843 -149192.7100 299.4595 68.3760 101.4991 557302.6400 -2.6189 -2.4821 PRESSURE: 3159800 -257.001 118.395 -97.3998 118.396 -243.823 -100.868 -97.3998 -100.867 -77.0236 GPRESSURE: 3159800 -248.677 101.214 2.16046 87.7543 -160.751 -15.4795 -154.484 -204.044 -63.4487 PRESSAVG: 3159800 0.190373 46.2314 56.6868 46.2313 -24.3991 -24.9849 56.6868 -24.985 43.4097 GPRESSAVG: 3159800 0.397412 46.9201 56.8659 45.1192 -25.9818 -24.3212 57.0396 -25.4637 44.3012 TIMING: 3159800 CPU: 9440.48, 0.0029904/step Wall: 9440.48, 0.0029904/step, 1.52859 hours remaining, 207.164062 MB of memory in use. ENERGY: 3159800 751.0421 2048.9356 1925.3867 106.2535 -206064.8746 17540.8014 0.0000 0.0000 34331.3237 -149361.1315 299.8240 -183692.4552 -149262.6563 299.2391 -192.6157 -157.6258 558668.5013 6.4003 6.2389 PRESSURE: 3160000 96.4348 51.9812 -125.864 51.9815 109.806 92.9487 -125.863 92.9487 187.919 GPRESSURE: 3160000 123.13 96.9928 -80.0615 25.5869 97.2437 90.5628 -193.314 115.098 277.253 PRESSAVG: 3160000 23.1469 -62.1979 -36.8285 -62.1979 -31.3438 -3.08114 -36.8285 -3.08112 21.2573 GPRESSAVG: 3160000 23.2455 -61.2927 -36.995 -61.0856 -31.1932 -2.56862 -35.8306 -1.98067 21.0317 TIMING: 3160000 CPU: 9441.08, 0.0029931/step Wall: 9441.08, 0.0029931/step, 1.52981 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: 3160000 761.4625 2100.5950 1944.2496 126.6948 -206527.0457 17996.0901 0.0000 0.0000 34312.5872 -149285.3665 299.6604 -183597.9537 -149191.6040 299.5308 131.3867 165.8756 556977.9803 4.3535 4.3613 PRESSURE: 3160200 -16.305 -92.8578 -220.851 -92.8588 -213.502 62.687 -220.851 62.6871 -50.634 GPRESSURE: 3160200 -5.2951 -65.1672 -332.059 -85.819 -176.199 38.1327 -140.808 128.272 -15.0074 PRESSAVG: 3160200 61.9988 -54.7688 13.909 -54.7688 2.53677 8.06478 13.909 8.06478 -17.6616 GPRESSAVG: 3160200 62.5211 -54.2122 13.2167 -54.5037 0.720418 6.61249 13.9598 8.1331 -16.7409 TIMING: 3160200 CPU: 9441.68, 0.00301488/step Wall: 9441.68, 0.00301488/step, 1.54077 hours remaining, 207.164062 MB of memory in use. ENERGY: 3160200 708.8479 2028.6376 1926.8582 125.8478 -205889.3112 17346.1230 0.0000 0.0000 34403.2880 -149349.7086 300.4525 -183752.9966 -149253.6476 299.7233 -93.4803 -65.5005 556379.1443 15.6247 15.5002 LDB: ============= START OF LOAD BALANCING ============== 9445.12 LDB: ============== END OF LOAD BALANCING =============== 9445.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9445.12 LDB: ============= START OF LOAD BALANCING ============== 9445.42 LDB: Largest compute 4820 load 0.028165 is 23.9% of average load 0.118006 LDB: Average compute 0.001744 is 1.5% of average load 0.118006 LDB: TIME 9445.42 LOAD: AVG 0.118006 MAX 0.207304 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.969 MB LDB: TIME 9445.42 LOAD: AVG 0.118006 MAX 0.207304 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.969 MB LDB: TIME 9445.42 LOAD: AVG 0.118006 MAX 0.207304 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.969 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9445.42 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9445.43 PRESSURE: 3160400 -375.07 21.4501 -7.55894 21.4508 -53.4563 -130.466 -7.55927 -130.468 -364.087 GPRESSURE: 3160400 -294.384 44.013 -47.2078 -77.5857 -85.7865 -170.85 -4.61431 -99.9049 -328.512 PRESSAVG: 3160400 28.7814 -13.0807 -47.2731 -13.0807 23.0485 -26.6335 -47.2731 -26.6334 12.5437 GPRESSAVG: 3160400 28.5746 -13.5157 -46.0692 -13.9734 24.0175 -24.2447 -47.6208 -28.0458 11.5657 TIMING: 3160400 CPU: 9442.3, 0.00306995/step Wall: 9442.3, 0.00306995/step, 1.56875 hours remaining, 207.492188 MB of memory in use. ENERGY: 3160400 763.2136 2056.5880 1946.6196 117.0247 -206124.9403 17493.1247 0.0000 0.0000 34347.2791 -149401.0907 299.9633 -183748.3698 -149295.1628 299.0793 -264.2044 -236.2275 558168.8010 21.4578 21.3860 PRESSURE: 3160600 -335.182 40.6343 90.1673 40.634 179.552 -61.1163 90.1673 -61.1154 133.801 GPRESSURE: 3160600 -241.199 88.0779 137.843 -49.7517 147.931 -70.4324 85.5216 -86.8696 178.312 PRESSAVG: 3160600 -5.90779 22.5329 -9.91733 22.5328 -16.7885 -18.5986 -9.91733 -18.5985 -11.7607 GPRESSAVG: 3160600 -6.88047 22.2398 -9.60056 23.3066 -15.5878 -19.7401 -11.476 -18.3013 -11.6433 TIMING: 3160600 CPU: 9442.9, 0.00301754/step Wall: 9442.9, 0.00301754/step, 1.5418 hours remaining, 207.492188 MB of memory in use. ENERGY: 3160600 746.0072 2107.8500 1922.7154 112.9933 -206403.9884 17905.5932 0.0000 0.0000 34277.8494 -149330.9799 299.3570 -183608.8293 -149243.5063 298.9920 -7.2764 28.3480 556605.6382 -11.4857 -11.3705 PRESSURE: 3160800 -180.657 -8.47203 29.1286 -8.47212 -153.825 -94.4402 29.1275 -94.4397 -75.7963 GPRESSURE: 3160800 -209.804 61.3065 92.3995 6.98215 -89.6778 -108.798 0.770207 -113.178 -16.2521 PRESSAVG: 3160800 -40.9543 -20.6189 2.2298 -20.6188 46.2492 96.1657 2.22976 96.1655 -13.4185 GPRESSAVG: 3160800 -40.2592 -20.8356 2.30375 -23.1867 45.7322 95.9903 0.583861 94.9881 -13.5889 TIMING: 3160800 CPU: 9443.51, 0.00304198/step Wall: 9443.51, 0.00304198/step, 1.55411 hours remaining, 207.492188 MB of memory in use. ENERGY: 3160800 741.6853 2060.3413 1954.3339 118.1318 -206270.1132 17680.7068 0.0000 0.0000 34180.7845 -149534.1298 298.5093 -183714.9143 -149432.5145 298.9244 -136.7595 -105.2448 557269.3738 -2.7079 -2.7053 PRESSURE: 3161000 -17.0415 -155.458 96.8631 -155.457 -88.7521 68.2227 96.8638 68.2221 11.9852 GPRESSURE: 3161000 -13.3426 -39.3345 105.358 -239.829 -24.5842 49.1733 95.5019 90.8967 38.6742 PRESSAVG: 3161000 -102.393 -72.5667 82.8813 -72.5667 29.0447 31.8561 82.8814 31.8559 79.4173 GPRESSAVG: 3161000 -102.211 -72.1283 82.7849 -69.0127 28.682 31.4649 86.7488 31.1373 79.1432 TIMING: 3161000 CPU: 9444.12, 0.00303217/step Wall: 9444.12, 0.00303217/step, 1.54893 hours remaining, 207.492188 MB of memory in use. ENERGY: 3161000 766.5857 2104.8861 1943.6572 107.4569 -206328.0734 17796.4369 0.0000 0.0000 34114.9376 -149494.1130 297.9342 -183609.0506 -149392.8244 297.6988 -31.2695 0.2492 556806.9679 2.0230 1.8715 PRESSURE: 3161200 -117.349 -118.233 202.927 -118.234 -152.919 -133.287 202.926 -133.289 -283.562 GPRESSURE: 3161200 -85.2694 -134.648 193.008 -185.143 -160.014 -166.776 258.828 -92.925 -201.242 PRESSAVG: 3161200 -47.7489 14.7169 62.9051 14.7169 17.0236 19.8751 62.905 19.8752 27.0935 GPRESSAVG: 3161200 -47.8477 12.8279 62.2362 15.469 16.6629 21.7835 61.4448 21.0288 27.2148 TIMING: 3161200 CPU: 9444.72, 0.00302038/step Wall: 9444.72, 0.00302038/step, 1.54274 hours remaining, 207.492188 MB of memory in use. ENERGY: 3161200 725.3795 2149.6438 1913.8485 120.6802 -206093.9721 17614.6222 0.0000 0.0000 34208.7826 -149361.0153 298.7538 -183569.7978 -149259.4571 298.7823 -184.6103 -148.8421 559081.2910 -1.2106 -1.3233 PRESSURE: 3161400 23.7818 69.316 -52.3983 69.3155 57.5271 79.6858 -52.3975 79.6846 -84.8257 GPRESSURE: 3161400 1.2111 125.801 -85.171 123.939 80.6716 46.8185 -6.40582 90.3586 14.2419 PRESSAVG: 3161400 -94.7731 19.5302 101.647 19.5301 -2.10787 8.35709 101.647 8.35713 83.2038 GPRESSAVG: 3161400 -94.8681 18.2464 101.427 19.3597 -1.13444 4.12716 101.37 11.1314 82.9386 TIMING: 3161400 CPU: 9445.32, 0.00299308/step Wall: 9445.32, 0.00299308/step, 1.52863 hours remaining, 207.492188 MB of memory in use. ENERGY: 3161400 713.4779 2137.8644 1960.6419 125.6642 -206204.1568 17798.6739 0.0000 0.0000 34254.0821 -149213.7523 299.1494 -183467.8345 -149122.3677 299.2792 -1.1723 32.0416 558049.5854 -4.5591 -4.3547 PRESSURE: 3161600 -225.933 -62.8246 -208.295 -62.8253 85.6291 120.647 -208.294 120.648 -174.382 GPRESSURE: 3161600 -229.19 -53.6821 -182.205 -68.491 110.151 51.4113 -244.6 174.08 -95.2903 PRESSAVG: 3161600 -22.5442 24.5143 -3.85303 24.5142 76.0296 36.1231 -3.85306 36.1231 -52.888 GPRESSAVG: 3161600 -21.7294 25.8288 -2.50276 22.8203 75.9607 38.8245 -3.02762 33.6941 -54.4031 TIMING: 3161600 CPU: 9445.92, 0.0030128/step Wall: 9445.92, 0.0030128/step, 1.53854 hours remaining, 207.492188 MB of memory in use. ENERGY: 3161600 746.5857 2133.4170 1933.4367 117.2363 -206294.3156 17689.8073 0.0000 0.0000 34504.7200 -149169.1126 301.3383 -183673.8326 -149077.4596 299.4881 -104.8952 -71.4429 557793.6325 0.1991 -0.0573 PRESSURE: 3161800 105.242 59.0323 4.82055 59.033 -187.903 -111.835 4.82125 -111.835 79.6089 GPRESSURE: 3161800 140.191 19.3548 -40.8678 47.5992 -125.803 -49.9177 26.7467 -96.7874 83.8975 PRESSAVG: 3161800 -10.8018 -27.8969 -14.5827 -27.8969 -20.4015 29.0611 -14.5827 29.0612 62.3172 GPRESSAVG: 3161800 -12.3383 -27.4402 -15.2709 -25.8695 -20.0755 27.7876 -14.1905 31.3799 63.4149 TIMING: 3161800 CPU: 9446.52, 0.00300273/step Wall: 9446.52, 0.00300273/step, 1.53323 hours remaining, 207.492188 MB of memory in use. ENERGY: 3161800 742.9888 2179.7073 1946.2143 105.4946 -206286.5393 17924.3037 0.0000 0.0000 34233.7126 -149154.1181 298.9715 -183387.8307 -149061.5951 299.5887 -1.0176 32.7620 557389.6461 10.3713 10.3337 PRESSURE: 3162000 -165.704 28.3988 -142.578 28.3995 59.0185 8.94865 -142.578 8.94852 47.2468 GPRESSURE: 3162000 -116.263 67.3397 -217.285 -44.5356 86.1406 13.641 -80.1682 27.3952 52.895 PRESSAVG: 3162000 20.8378 -2.10537 -64.1959 -2.10531 -68.3862 -0.30696 -64.1959 -0.307079 1.8292 GPRESSAVG: 3162000 21.371 -0.986162 -66.5677 -1.44147 -68.7056 -0.742637 -64.8634 -1.15182 1.77845 TIMING: 3162000 CPU: 9447.12, 0.00297804/step Wall: 9447.12, 0.00297804/step, 1.52045 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: 3162000 734.3801 2119.4850 1932.9618 125.3419 -206148.3774 17725.4331 0.0000 0.0000 34337.2993 -149173.4761 299.8762 -183510.7754 -149075.5191 299.2253 -19.8129 7.5908 556717.0934 -15.2397 -15.1854 PRESSURE: 3162200 -45.5498 -54.1231 111.432 -54.122 52.6421 -106.993 111.433 -106.99 -201.331 GPRESSURE: 3162200 -43.207 -50.0878 149.88 -226.131 93.9095 -48.2036 58.0727 -115.688 -161.261 PRESSAVG: 3162200 3.14444 17.9397 37.0475 17.9397 -20.3682 61.6191 37.0474 61.619 15.8134 GPRESSAVG: 3162200 2.53965 18.4234 38.5556 15.0634 -20.5684 62.9298 36.2971 61.6537 17.1483 TIMING: 3162200 CPU: 9447.71, 0.00298137/step Wall: 9447.71, 0.00298137/step, 1.52199 hours remaining, 207.492188 MB of memory in use. ENERGY: 3162200 745.5313 2145.1098 1936.7995 112.6566 -206396.0816 17731.9151 0.0000 0.0000 34509.8029 -149214.2663 301.3827 -183724.0692 -149109.3442 299.3665 -64.7461 -36.8529 557038.9116 -0.4701 -0.2935 PRESSURE: 3162400 -210.373 155.964 -53.9824 155.965 -33.0096 -100.999 -53.9814 -100.999 230.94 GPRESSURE: 3162400 -176.596 161.898 -68.899 178.311 -4.31364 -182.045 34.7088 -51.3882 273.068 PRESSAVG: 3162400 20.2844 26.7188 -2.48444 26.7188 -2.08018 -9.46625 -2.48435 -9.46627 14.6838 GPRESSAVG: 3162400 19.8869 24.3267 -1.88975 27.9445 -0.944317 -9.30085 -1.64548 -10.5682 13.6044 TIMING: 3162400 CPU: 9448.31, 0.00299301/step Wall: 9448.31, 0.00299301/step, 1.52776 hours remaining, 207.492188 MB of memory in use. ENERGY: 3162400 769.7299 2092.2570 1939.7028 114.6045 -205866.5754 17688.7925 0.0000 0.0000 34200.5955 -149060.8932 298.6823 -183261.4887 -148966.4433 299.9642 -4.1477 30.7194 558371.8276 10.9627 10.8490 PRESSURE: 3162600 -20.4814 95.7884 107.58 95.7898 113.209 59.0228 107.579 59.0224 -39.9801 GPRESSURE: 3162600 -40.2688 148.406 81.3105 86.9988 143.755 168.197 53.678 -1.61962 48.0661 PRESSAVG: 3162600 -49.5927 38.405 26.3271 38.405 -14.2078 42.3471 26.327 42.3471 25.3606 GPRESSAVG: 3162600 -48.2627 40.3491 25.5248 37.8485 -14.7604 41.3699 24.7782 41.996 24.5841 TIMING: 3162600 CPU: 9448.91, 0.00298991/step Wall: 9448.91, 0.00298991/step, 1.52602 hours remaining, 207.492188 MB of memory in use. ENERGY: 3162600 710.6097 2102.9187 1934.6443 109.0340 -206045.3950 17843.4008 0.0000 0.0000 34245.1858 -149099.6018 299.0717 -183344.7875 -149002.5180 299.1544 17.5825 50.5175 558806.7346 -12.8133 -12.8130 PRESSURE: 3162800 511.932 -32.2773 -57.742 -32.2779 -110.869 95.4076 -57.7428 95.4083 109.667 GPRESSURE: 3162800 527.518 -7.26995 -80.6154 -37.7247 28.0139 86.6356 -57.1728 143.311 70.7159 PRESSAVG: 3162800 -10.3888 11.2067 -48.5293 11.2067 5.45903 4.97729 -48.5293 4.97724 24.2863 GPRESSAVG: 3162800 -11.7548 11.0349 -48.6829 12.8136 7.72035 5.52011 -47.8583 6.68984 23.5872 TIMING: 3162800 CPU: 9449.51, 0.00298872/step Wall: 9449.51, 0.00298872/step, 1.52524 hours remaining, 207.492188 MB of memory in use. ENERGY: 3162800 743.3901 2066.3383 1936.1869 105.4324 -206220.2765 18055.1364 0.0000 0.0000 34204.9415 -149108.8509 298.7203 -183313.7924 -149018.8576 299.6336 170.2431 208.7493 556967.5210 6.4522 6.5176 PRESSURE: 3163000 230.066 -221.096 -97.9369 -221.096 118.356 -58.7718 -97.9365 -58.7715 2.68163 GPRESSURE: 3163000 241.038 -147.515 -155.283 -331.245 150.182 -34.9678 -64.6223 -65.2356 58.8086 PRESSAVG: 3163000 -6.46048 -2.48123 -41.059 -2.48133 -78.9793 -10.7443 -41.059 -10.7443 101.124 GPRESSAVG: 3163000 -6.42154 -3.51471 -41.0705 -6.14737 -81.7226 -9.7914 -38.4858 -11.775 103.152 TIMING: 3163000 CPU: 9450.11, 0.00299391/step Wall: 9450.11, 0.00299391/step, 1.52773 hours remaining, 207.492188 MB of memory in use. ENERGY: 3163000 740.9070 2099.4614 1966.7749 111.5981 -206109.3444 17817.7917 0.0000 0.0000 34300.6345 -149072.1768 299.5560 -183372.8113 -148983.1629 299.6986 117.0344 150.0096 556635.8894 5.2280 5.0025 PRESSURE: 3163200 -76.7322 -77.5315 17.6336 -77.5329 27.8953 -28.1686 17.6341 -28.1677 209.303 GPRESSURE: 3163200 -4.39669 -98.0536 -107.023 -126.316 29.654 27.4024 157.737 -91.0651 222.538 PRESSAVG: 3163200 77.107 -31.4566 17.9871 -31.4566 -69.2525 -18.0965 17.987 -18.0965 -8.30906 GPRESSAVG: 3163200 79.2249 -32.041 19.7236 -29.5166 -68.8664 -17.1993 16.4594 -17.9017 -10.3003 TIMING: 3163200 CPU: 9450.71, 0.00301731/step Wall: 9450.71, 0.00301731/step, 1.5395 hours remaining, 207.492188 MB of memory in use. ENERGY: 3163200 718.2298 2069.8774 1956.3594 111.3191 -206136.8674 17938.6816 0.0000 0.0000 34290.6127 -149051.7875 299.4684 -183342.4001 -148951.5121 299.6442 53.4886 82.5983 557047.9126 -0.1515 0.0194 PRESSURE: 3163400 133.863 -158.957 212.338 -158.958 52.0895 84.6059 212.339 84.6071 174.232 GPRESSURE: 3163400 143.753 -130.087 217.28 -114.843 94.4278 117.22 114.406 160.577 223.083 PRESSAVG: 3163400 -21.279 -22.1092 -4.28959 -22.1092 -28.7048 56.2226 -4.28968 56.2226 28.2944 GPRESSAVG: 3163400 -21.453 -21.4561 -4.17536 -22.007 -28.8111 55.5105 -4.91382 54.7201 28.8937 TIMING: 3163400 CPU: 9451.32, 0.00302368/step Wall: 9451.32, 0.00302368/step, 1.54258 hours remaining, 207.492188 MB of memory in use. ENERGY: 3163400 750.3306 2080.0220 1943.0181 104.0241 -206277.0151 17905.5478 0.0000 0.0000 34382.7044 -149111.3682 300.2727 -183494.0726 -149008.6913 300.1815 120.0614 153.7546 556534.3524 -7.2298 -7.1235 PRESSURE: 3163600 -138.079 -57.9539 53.3026 -57.9538 -253.899 196.582 53.3032 196.583 -63.6718 GPRESSURE: 3163600 -69.5812 -33.0943 107.287 -19.4687 -251.306 115.897 63.6139 278.878 -36.3121 PRESSAVG: 3163600 -25.3407 -50.8669 72.2183 -50.8669 -41.1138 53.5084 72.2183 53.5085 56.1423 GPRESSAVG: 3163600 -25.1886 -52.3654 71.5281 -49.6725 -41.6472 52.9238 73.4821 56.6599 56.4991 TIMING: 3163600 CPU: 9451.92, 0.00300031/step Wall: 9451.92, 0.00300031/step, 1.53049 hours remaining, 207.492188 MB of memory in use. ENERGY: 3163600 741.8996 2053.0609 1952.8065 118.9116 -205729.9328 17397.7274 0.0000 0.0000 34367.8955 -149097.6311 300.1434 -183465.5267 -149000.4078 299.2698 -151.8832 -119.0664 557661.1409 -3.4374 -3.4456 PRESSURE: 3163800 45.4148 -84.6651 12.772 -84.6654 -115.366 -34.9516 12.7717 -34.9511 -363.82 GPRESSURE: 3163800 79.5018 -55.108 30.3291 -22.6594 -75.8923 -60.5325 0.748957 14.6708 -334.709 PRESSAVG: 3163800 0.786878 -0.720564 -58.2148 -0.720537 10.4814 25.4971 -58.2148 25.497 -13.9269 GPRESSAVG: 3163800 -0.930218 -0.421493 -59.9829 -0.943303 11.2115 25.8667 -59.2345 24.6922 -13.1119 TIMING: 3163800 CPU: 9452.51, 0.00299583/step Wall: 9452.51, 0.00299583/step, 1.52804 hours remaining, 207.492188 MB of memory in use. ENERGY: 3163800 741.9550 2036.9030 1920.9483 115.1579 -205710.3569 17627.7849 0.0000 0.0000 34338.8101 -148928.7977 299.8894 -183267.6078 -148832.2045 299.8639 -144.5906 -110.3666 558813.1815 -0.8862 -0.9435 PRESSURE: 3164000 -87.9327 11.1083 -88.4277 11.1074 6.11661 -81.8861 -88.4267 -81.8849 138.719 GPRESSURE: 3164000 -81.7622 39.7033 -74.7199 8.20266 32.8181 -51.445 -128.663 1.18038 193.197 PRESSAVG: 3164000 -2.4233 -6.27253 -6.96432 -6.27259 -24.9714 -30.4846 -6.96442 -30.4847 -30.3141 GPRESSAVG: 3164000 -0.898233 -7.34896 -4.83679 -4.45396 -25.2694 -32.3348 -7.63958 -31.1072 -31.1167 TIMING: 3164000 CPU: 9453.11, 0.00298412/step Wall: 9453.11, 0.00298412/step, 1.5219 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: 3164000 767.2132 2093.0586 1925.7678 108.6347 -206210.4047 17914.9325 0.0000 0.0000 34383.5046 -149017.2933 300.2797 -183400.7978 -148926.2742 299.5049 18.9678 48.0842 556354.1697 -19.2363 -19.0948 PRESSURE: 3164200 174.866 -1.26609 -61.593 -1.2643 31.4382 41.6682 -61.5944 41.6691 28.0319 GPRESSURE: 3164200 191.291 42.6628 35.4295 -23.3603 30.4449 80.2043 -154.074 -34.6548 116.119 PRESSAVG: 3164200 3.87395 -44.6766 -0.681024 -44.6768 58.9302 1.21847 -0.680994 1.21859 -41.0912 GPRESSAVG: 3164200 2.66839 -43.3852 -1.87352 -46.7868 60.177 1.80342 0.578463 2.18069 -41.0074 TIMING: 3164200 CPU: 9453.71, 0.00298531/step Wall: 9453.71, 0.00298531/step, 1.52234 hours remaining, 207.492188 MB of memory in use. ENERGY: 3164200 761.1687 2118.0089 1955.0288 107.9685 -206334.2183 17973.9859 0.0000 0.0000 34381.7654 -149036.2921 300.2645 -183418.0575 -148946.3391 299.9249 78.1121 112.6182 558290.9808 7.2377 7.2793 LDB: ============= START OF LOAD BALANCING ============== 9457.14 LDB: ============== END OF LOAD BALANCING =============== 9457.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9457.14 LDB: ============= START OF LOAD BALANCING ============== 9457.44 LDB: Largest compute 4819 load 0.028964 is 24.5% of average load 0.118093 LDB: Average compute 0.001743 is 1.5% of average load 0.118093 LDB: TIME 9457.45 LOAD: AVG 0.118093 MAX 0.206158 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.039 MB LDB: TIME 9457.45 LOAD: AVG 0.118093 MAX 0.206158 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.039 MB LDB: TIME 9457.45 LOAD: AVG 0.118093 MAX 0.206158 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9457.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9457.45 PRESSURE: 3164400 434.057 154.64 58.7425 154.64 17.3322 -10.3559 58.7425 -10.3558 369.391 GPRESSURE: 3164400 456.49 109.031 38.8311 126.527 60.7954 -11.3245 70.0135 -28.166 396.355 PRESSAVG: 3164400 31.61 -25.6532 -11.5028 -25.6533 9.06564 23.1182 -11.5027 23.1182 11.9034 GPRESSAVG: 3164400 31.4836 -26.2732 -10.9207 -26.3173 8.49618 23.0301 -12.9494 23.3045 12.7335 TIMING: 3164400 CPU: 9454.32, 0.00307162/step Wall: 9454.32, 0.00307162/step, 1.56618 hours remaining, 206.058594 MB of memory in use. ENERGY: 3164400 749.7293 2078.2508 1934.9626 113.8618 -206449.9512 18168.5312 0.0000 0.0000 34314.4213 -149090.1942 299.6764 -183404.6156 -148991.8442 299.7999 273.5934 304.5469 557006.1935 17.5264 17.5711 PRESSURE: 3164600 91.0773 74.9958 -7.50114 74.9967 188.326 -17.1505 -7.50174 -17.1505 131.83 GPRESSURE: 3164600 155.296 185.027 19.3716 -22.9304 174.742 -21.2494 -59.7952 4.98808 159.348 PRESSAVG: 3164600 -3.19472 31.8763 -26.3377 31.8764 -6.6217 -2.72143 -26.3379 -2.72143 0.870911 GPRESSAVG: 3164600 -3.38345 30.917 -26.1933 32.3726 -6.32307 -2.38574 -25.8796 -4.12415 0.533102 TIMING: 3164600 CPU: 9454.92, 0.00299284/step Wall: 9454.92, 0.00299284/step, 1.52585 hours remaining, 206.058594 MB of memory in use. ENERGY: 3164600 766.0214 2075.8676 1938.8718 109.5168 -206244.8402 18032.9069 0.0000 0.0000 34356.4608 -148965.1949 300.0435 -183321.6557 -148872.5028 299.3145 137.0778 163.1288 556519.5407 -2.9818 -3.0578 PRESSURE: 3164800 -142.039 -37.958 190.116 -37.9588 92.9601 59.4554 190.115 59.4553 -12.857 GPRESSURE: 3164800 -74.4866 8.88756 183.094 5.93679 81.7897 45.3771 139.57 121.95 24.8423 PRESSAVG: 3164800 -19.6108 70.4309 -2.49154 70.4308 0.634073 38.518 -2.49159 38.5178 19.8944 GPRESSAVG: 3164800 -18.3967 71.6056 -2.90668 69.2795 -0.561639 39.3315 -5.04439 40.2134 19.727 TIMING: 3164800 CPU: 9455.52, 0.00301141/step Wall: 9455.52, 0.00301141/step, 1.53515 hours remaining, 206.058594 MB of memory in use. ENERGY: 3164800 752.7522 2079.9503 1943.5319 119.2331 -205694.1547 17572.5833 0.0000 0.0000 34390.2753 -148835.8286 300.3388 -183226.1039 -148735.5879 299.5616 -20.6453 10.7151 557337.8136 0.3059 0.2562 PRESSURE: 3165000 56.7564 13.5333 -1.53771 13.534 -270.35 -53.8871 -1.53794 -53.8867 -9.91806 GPRESSURE: 3165000 69.3228 -9.44318 46.3188 -12.1856 -200.834 -16.2737 43.2233 -25.2154 -3.54674 PRESSAVG: 3165000 -6.69142 11.5137 -18.7843 11.5137 24.5661 13.9377 -18.7844 13.9376 26.9806 GPRESSAVG: 3165000 -5.92943 11.9995 -20.4918 12.5313 24.5665 13.6494 -15.1644 13.3507 25.9858 TIMING: 3165000 CPU: 9456.12, 0.00298468/step Wall: 9456.12, 0.00298468/step, 1.52136 hours remaining, 206.058594 MB of memory in use. ENERGY: 3165000 736.0623 2054.1240 1977.3030 105.5631 -205613.5056 17613.0595 0.0000 0.0000 34057.0863 -149070.3074 297.4290 -183127.3937 -148972.3566 299.7996 -74.5038 -45.0194 559535.4886 14.9518 14.8743 PRESSURE: 3165200 -191.529 -145.618 179.203 -145.616 -65.7381 100.46 179.203 100.46 267.342 GPRESSURE: 3165200 -145.504 -143.485 132.321 -80.8199 -49.5394 112.505 163.513 105.289 301.638 PRESSAVG: 3165200 -33.3922 24.6753 16.5848 24.6753 10.6165 15.6057 16.5849 15.6056 49.205 GPRESSAVG: 3165200 -34.8091 23.7676 18.1862 25.3959 11.1649 17.0611 13.6196 15.6727 49.7947 TIMING: 3165200 CPU: 9456.72, 0.00299389/step Wall: 9456.72, 0.00299389/step, 1.52589 hours remaining, 206.058594 MB of memory in use. ENERGY: 3165200 728.1143 2064.7170 1966.4917 97.5472 -206012.9864 17740.2934 0.0000 0.0000 34462.2073 -148953.6155 300.9670 -183415.8227 -148856.2249 299.2192 3.3582 35.5316 557948.3864 8.8098 8.7169 PRESSURE: 3165400 61.6567 -131.221 -86.3986 -131.221 89.0112 8.81653 -86.398 8.81737 73.5843 GPRESSURE: 3165400 37.6538 -90.443 55.888 -99.9431 146.833 99.2691 -117.572 -38.3224 132.566 PRESSAVG: 3165400 -20.7089 -27.687 29.3389 -27.687 -9.95471 12.5946 29.3389 12.5946 41.7315 GPRESSAVG: 3165400 -20.7525 -27.1276 28.6946 -27.4373 -10.4456 11.3484 30.0099 10.0089 41.3357 TIMING: 3165400 CPU: 9457.32, 0.00302078/step Wall: 9457.32, 0.00302078/step, 1.53942 hours remaining, 206.058594 MB of memory in use. ENERGY: 3165400 741.3216 2058.1919 1966.0316 108.7083 -206449.2151 18047.3686 0.0000 0.0000 34449.6927 -149077.9004 300.8577 -183527.5931 -148985.7077 299.7715 74.7507 105.6843 559038.4955 3.6893 3.3792 PRESSURE: 3165600 21.5028 -43.3122 -69.3796 -43.3127 -220.182 56.0113 -69.3794 56.0125 -46.7053 GPRESSURE: 3165600 27.6488 -35.3136 -21.6574 -93.7614 -103.304 36.2645 -41.5671 34.1262 -68.0717 PRESSAVG: 3165600 -28.7689 26.4894 14.4267 26.4895 34.1059 -4.14152 14.4268 -4.14156 -11.5484 GPRESSAVG: 3165600 -27.8456 26.9121 15.3474 26.0802 35.1533 -3.67189 14.6403 -4.14263 -13.4344 TIMING: 3165600 CPU: 9457.93, 0.00302063/step Wall: 9457.93, 0.00302063/step, 1.53918 hours remaining, 206.058594 MB of memory in use. ENERGY: 3165600 729.1344 2123.8673 1927.3063 113.8549 -205620.4938 17461.9413 0.0000 0.0000 34135.3218 -149129.0679 298.1123 -183264.3897 -149037.6538 299.8646 -81.7948 -47.9090 558280.5942 -2.0704 -2.0422 PRESSURE: 3165800 49.5826 82.7578 -100.888 82.7573 -13.4878 -258.594 -100.887 -258.594 -99.3245 GPRESSURE: 3165800 57.5947 51.0063 -162.387 104.821 31.9095 -203.328 -19.7292 -292.098 -58.9007 PRESSAVG: 3165800 -26.0866 -20.7699 -82.1669 -20.7699 14.911 28.5029 -82.167 28.503 57.955 GPRESSAVG: 3165800 -26.0834 -19.5758 -86.1099 -20.6882 13.2029 27.7161 -80.396 28.2863 59.5937 TIMING: 3165800 CPU: 9458.53, 0.00301344/step Wall: 9458.53, 0.00301344/step, 1.53535 hours remaining, 206.058594 MB of memory in use. ENERGY: 3165800 720.6693 2081.2588 1942.6189 102.7132 -206239.6362 17845.8047 0.0000 0.0000 34305.5179 -149241.0537 299.5986 -183546.5715 -149140.1898 299.4609 -21.0766 10.2012 558930.3134 15.5931 15.5711 PRESSURE: 3166000 22.4965 -225.678 131.856 -225.678 288.27 133.526 131.858 133.526 134.398 GPRESSURE: 3166000 101.668 -223.335 102.728 -215.089 277.289 193.3 113.63 152.149 166.991 PRESSAVG: 3166000 -32.6542 -64.7081 -32.6331 -64.7081 -9.81276 43.6826 -32.6331 43.6824 25.5966 GPRESSAVG: 3166000 -33.0769 -66.38 -30.0665 -64.012 -8.95002 44.5257 -34.5205 44.7276 25.229 TIMING: 3166000 CPU: 9459.13, 0.00299604/step Wall: 9459.13, 0.00299604/step, 1.52631 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: 3166000 773.8972 2102.5235 1919.1846 108.4680 -205985.7549 17932.6309 0.0000 0.0000 34100.6991 -149048.3515 297.8099 -183149.0506 -148958.5057 299.3223 148.3881 181.9827 556735.7274 -5.6235 -5.5993 PRESSURE: 3166200 -273.488 165.59 19.7858 165.589 -466.944 24.5892 19.7858 24.5887 -294.281 GPRESSURE: 3166200 -252.174 133.787 9.42882 219.532 -400.408 30.0097 52.4986 0.633634 -277.226 PRESSAVG: 3166200 12.439 0.776839 -8.49063 0.776934 -29.4564 37.9543 -8.49066 37.9543 9.85804 GPRESSAVG: 3166200 11.8142 -0.42907 -9.03041 0.51088 -30.0025 36.032 -8.12719 39.6473 10.1424 TIMING: 3166200 CPU: 9459.73, 0.00299175/step Wall: 9459.73, 0.00299175/step, 1.52396 hours remaining, 206.058594 MB of memory in use. ENERGY: 3166200 761.5586 2096.6570 1955.9549 104.2792 -205486.1612 17329.7542 0.0000 0.0000 34045.3287 -149192.6287 297.3263 -183237.9574 -149099.6639 299.6281 -344.9042 -309.9361 558647.9835 -2.3864 -2.6820 PRESSURE: 3166400 -234.226 -12.3911 -191.995 -12.3901 -150.242 48.1966 -191.993 48.1971 49.7568 GPRESSURE: 3166400 -173.769 -76.5486 -174.788 -10.8391 -162.047 6.14725 -57.3581 19.6924 96.1876 PRESSAVG: 3166400 55.0851 50.9876 6.35942 50.9876 -15.1771 0.928051 6.35944 0.928071 0.520585 GPRESSAVG: 3166400 55.3166 53.4652 7.56864 50.5403 -15.2967 0.0491547 5.77764 -1.28499 0.369577 TIMING: 3166400 CPU: 9460.33, 0.00301722/step Wall: 9460.33, 0.00301722/step, 1.53677 hours remaining, 206.058594 MB of memory in use. ENERGY: 3166400 745.7651 2106.4811 1954.1909 97.4545 -206126.5161 17719.6376 0.0000 0.0000 34364.7123 -149138.2745 300.1156 -183502.9868 -149044.5835 299.7783 -111.5704 -79.8761 557992.7530 13.4762 13.4632 PRESSURE: 3166600 23.3745 97.4243 -202.966 97.4254 -171.459 -91.2219 -202.965 -91.2227 31.072 GPRESSURE: 3166600 150.788 98.9918 -206.976 26.3505 -150.36 -112.326 -186.687 -93.2791 -14.8247 PRESSAVG: 3166600 45.2308 32.7571 -44.5964 32.7571 13.6984 25.8385 -44.5965 25.8385 -74.9938 GPRESSAVG: 3166600 43.7835 32.1959 -45.9046 30.5023 15.6977 28.6061 -43.945 25.9761 -75.7019 TIMING: 3166600 CPU: 9460.94, 0.00303275/step Wall: 9460.94, 0.00303275/step, 1.54451 hours remaining, 206.058594 MB of memory in use. ENERGY: 3166600 734.7209 2067.2891 1920.6463 108.5050 -206233.8360 17752.3862 0.0000 0.0000 34314.1331 -149336.1553 299.6739 -183650.2884 -149246.5161 299.9982 -39.0041 -4.7990 558259.4993 -5.3549 -5.4069 PRESSURE: 3166800 -171.088 135.641 182.087 135.64 -213.399 175.046 182.085 175.045 -17.7203 GPRESSURE: 3166800 -116.797 118.041 136.023 184.501 -163.535 89.1963 103.867 162.411 -23.2758 PRESSAVG: 3166800 48.2528 21.1449 18.8558 21.1449 -39.6655 35.8376 18.8558 35.8375 55.168 GPRESSAVG: 3166800 48.4824 21.2872 20.4306 21.7318 -40.1852 33.4536 15.933 37.2475 55.611 TIMING: 3166800 CPU: 9461.55, 0.00304283/step Wall: 9461.55, 0.00304283/step, 1.54948 hours remaining, 206.058594 MB of memory in use. ENERGY: 3166800 751.0027 2057.7584 1950.3851 106.4077 -206507.9392 17944.5099 0.0000 0.0000 34336.1578 -149361.7176 299.8662 -183697.8754 -149268.9547 299.5669 -134.0690 -101.2025 559397.7418 21.2518 21.3028 PRESSURE: 3167000 -146.516 -60.5268 -4.99564 -60.5262 -92.3622 46.3752 -4.9954 46.377 -135.519 GPRESSURE: 3167000 -90.4293 28.8192 11.3627 -98.9647 -56.2797 -15.8001 -21.6243 70.4585 -120.501 PRESSAVG: 3167000 2.85973 11.7822 17.0402 11.7822 14.7757 17.4183 17.0401 17.4184 -16.8321 GPRESSAVG: 3167000 3.80458 12.1069 17.2402 13.1272 15.3248 20.5453 18.7042 16.1188 -17.9209 TIMING: 3167000 CPU: 9462.15, 0.0030259/step Wall: 9462.15, 0.0030259/step, 1.54069 hours remaining, 206.058594 MB of memory in use. ENERGY: 3167000 693.3367 2157.3275 1916.3050 109.1311 -205750.0822 17609.9242 0.0000 0.0000 33900.7197 -149363.3379 296.0634 -183264.0576 -149275.1535 298.2739 -124.7991 -89.0699 558636.4813 0.2678 0.4028 PRESSURE: 3167200 211.883 -36.9189 104.103 -36.9183 -67.5401 87.4192 104.104 87.4178 274.669 GPRESSURE: 3167200 270.3 -126.952 130.873 30.6134 -30.673 44.9183 107.161 155.884 280.082 PRESSAVG: 3167200 16.8142 31.6613 -10.1585 31.6613 -3.52562 -22.7183 -10.1585 -22.7183 -10.6472 GPRESSAVG: 3167200 16.6331 30.2928 -10.0042 32.7258 -4.49288 -24.3047 -7.69009 -22.8953 -9.78075 TIMING: 3167200 CPU: 9462.76, 0.00306469/step Wall: 9462.76, 0.00306469/step, 1.56027 hours remaining, 206.058594 MB of memory in use. ENERGY: 3167200 719.0304 2122.5529 1963.4820 111.4179 -206264.8632 17867.2108 0.0000 0.0000 34161.4720 -149319.6973 298.3406 -183481.1693 -149224.4627 298.8655 139.6706 173.2364 556188.4955 0.8804 0.7865 PRESSURE: 3167400 -205.774 -140.98 33.2543 -140.978 -55.8415 32.6353 33.2539 32.6365 133.184 GPRESSURE: 3167400 -126.092 -92.7458 122.224 -141.214 -32.576 79.5259 -92.2439 -37.7011 114.399 PRESSAVG: 3167400 7.33623 11.571 40.4832 11.5711 -45.8937 5.02469 40.4831 5.02474 26.7837 GPRESSAVG: 3167400 7.6603 12.3758 38.8103 9.62571 -47.4486 7.57904 38.8853 4.54078 27.5187 TIMING: 3167400 CPU: 9463.38, 0.00305767/step Wall: 9463.38, 0.00305767/step, 1.55653 hours remaining, 206.058594 MB of memory in use. ENERGY: 3167400 704.7312 2077.9593 1947.6187 119.9061 -205928.6314 17668.3788 0.0000 0.0000 34209.8125 -149200.2249 298.7628 -183410.0374 -149109.1968 299.0864 -42.8105 -14.7564 557824.7821 -3.9246 -4.0899 PRESSURE: 3167600 -446.487 -177.664 122.924 -177.663 -482.193 34.08 122.925 34.0817 -168.373 GPRESSURE: 3167600 -440.772 -245.769 74.0199 -85.1361 -430.341 104.055 66.4197 81.8188 -110.132 PRESSAVG: 3167600 -60.7413 -21.8329 55.1489 -21.833 64.2115 46.2098 55.1489 46.2099 -27.3319 GPRESSAVG: 3167600 -61.642 -21.4849 58.0137 -21.2887 65.6093 45.2062 54.1177 46.1224 -28.1535 TIMING: 3167600 CPU: 9463.98, 0.00303093/step Wall: 9463.98, 0.00303093/step, 1.54274 hours remaining, 206.058594 MB of memory in use. ENERGY: 3167600 780.8200 2073.3857 1941.8446 112.2958 -205550.0484 17168.5762 0.0000 0.0000 34265.4048 -149207.7214 299.2483 -183473.1262 -149101.4457 299.6001 -365.6843 -327.0817 557210.6672 -7.9539 -8.0620 PRESSURE: 3167800 17.3791 113.987 -48.863 113.987 281.431 35.4485 -48.8625 35.4491 -116.792 GPRESSURE: 3167800 35.9395 145.059 -59.4638 119.745 263.572 -12.3622 -78.1461 26.0245 -15.1535 PRESSAVG: 3167800 -12.0676 30.7859 25.5963 30.7859 -19.8727 19.187 25.5963 19.1871 58.5837 GPRESSAVG: 3167800 -11.8727 31.3507 21.5107 30.5114 -20.1825 18.2277 27.1849 20.3385 59.4033 TIMING: 3167800 CPU: 9464.58, 0.00300735/step Wall: 9464.58, 0.00300735/step, 1.53058 hours remaining, 206.058594 MB of memory in use. ENERGY: 3167800 751.3325 2066.2389 1950.3260 100.8338 -206294.0710 17905.7251 0.0000 0.0000 34027.6393 -149491.9753 297.1718 -183519.6146 -149393.3465 298.6729 60.6727 94.7860 555989.7425 8.8811 9.1160 PRESSURE: 3168000 -202.337 -20.6005 -72.262 -20.6009 -99.9877 -60.6992 -72.2631 -60.7004 -176.798 GPRESSURE: 3168000 -188.159 -61.2581 -22.4417 -39.5921 -61.0272 -95.4621 -107.287 -2.8818 -136.864 PRESSAVG: 3168000 -0.301303 23.1861 -0.433732 23.1861 -43.0653 19.7693 -0.43373 19.7694 18.2586 GPRESSAVG: 3168000 -0.91377 22.7252 1.38689 21.6688 -41.8978 19.5746 -0.698692 20.948 17.563 TIMING: 3168000 CPU: 9465.18, 0.0030035/step Wall: 9465.18, 0.0030035/step, 1.52845 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: 3168000 743.4921 2098.7614 1939.6509 124.7372 -206014.2987 17606.7144 0.0000 0.0000 34210.4039 -149290.5389 298.7680 -183500.9428 -149194.2714 298.2850 -159.7076 -128.6831 558388.4865 -8.3693 -8.4162 PRESSURE: 3168200 -206.82 1.35748 -52.8211 1.35829 186.947 -149.028 -52.8207 -149.027 73.4498 GPRESSURE: 3168200 -181.56 4.9905 -49.3364 6.75976 227.265 -109.148 -33.4555 -183.477 107.891 PRESSAVG: 3168200 12.3127 45.6259 10.7032 45.6259 -21.5769 -28.418 10.7031 -28.418 45.6726 GPRESSAVG: 3168200 12.9471 46.1574 11.9731 47.8939 -21.812 -27.7263 10.2486 -29.6508 45.4584 TIMING: 3168200 CPU: 9465.79, 0.00300443/step Wall: 9465.79, 0.00300443/step, 1.52875 hours remaining, 206.058594 MB of memory in use. ENERGY: 3168200 720.0492 2080.8974 1927.0979 117.6566 -206914.5870 18201.7590 0.0000 0.0000 34481.3138 -149385.8131 301.1339 -183867.1269 -149286.3142 298.9436 17.8589 51.1988 557701.8895 12.1361 12.1978 LDB: ============= START OF LOAD BALANCING ============== 9469.22 LDB: ============== END OF LOAD BALANCING =============== 9469.22 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9469.22 LDB: ============= START OF LOAD BALANCING ============== 9469.52 LDB: Largest compute 4819 load 0.027575 is 23.4% of average load 0.118004 LDB: Average compute 0.001740 is 1.5% of average load 0.118004 LDB: TIME 9469.52 LOAD: AVG 0.118004 MAX 0.202076 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.371 MB LDB: TIME 9469.52 LOAD: AVG 0.118004 MAX 0.202076 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.371 MB LDB: TIME 9469.52 LOAD: AVG 0.118004 MAX 0.202076 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.371 MB LDB: ============== END OF LOAD BALANCING =============== 9469.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9469.52 PRESSURE: 3168400 -118.902 246.567 0.863457 246.566 -196.266 4.06601 0.863636 4.06588 217.013 GPRESSURE: 3168400 -63.8596 146.663 -75.3369 251.601 -161.785 -17.7554 -56.8813 4.57356 228.083 PRESSAVG: 3168400 -63.8042 28.0053 25.199 28.0052 15.7673 36.1654 25.199 36.1654 -5.37183 GPRESSAVG: 3168400 -63.4011 24.9569 24.5698 28.0527 15.07 36.8955 25.4423 35.866 -4.46359 TIMING: 3168400 CPU: 9466.39, 0.00304617/step Wall: 9466.39, 0.00304617/step, 1.54982 hours remaining, 206.531250 MB of memory in use. ENERGY: 3168400 732.0703 2058.6313 1948.7801 107.5891 -206044.4700 17808.4998 0.0000 0.0000 33935.9640 -149452.9354 296.3712 -183388.8994 -149350.6669 298.3172 -32.7183 0.8130 558247.8635 -17.8029 -17.5983 PRESSURE: 3168600 148.773 128.949 290.231 128.948 -464.134 -110.352 290.231 -110.352 37.7323 GPRESSURE: 3168600 176.941 132.758 272.735 84.9025 -430.004 -44.587 368.625 -133.177 46.9915 PRESSAVG: 3168600 52.5264 40.4575 39.4371 40.4575 -71.0885 -11.0424 39.4371 -11.0424 -22.1206 GPRESSAVG: 3168600 52.0164 42.3919 38.6572 37.0703 -70.1681 -12.3847 40.6084 -9.82314 -21.6649 TIMING: 3168600 CPU: 9466.99, 0.00299137/step Wall: 9466.99, 0.00299137/step, 1.52177 hours remaining, 206.734375 MB of memory in use. ENERGY: 3168600 735.9375 2077.2831 1964.8103 113.6388 -205948.3265 17625.4505 0.0000 0.0000 34032.7919 -149398.4145 297.2168 -183431.2064 -149302.2210 298.4198 -92.5429 -68.6904 557772.2472 -13.5609 -13.2722 PRESSURE: 3168800 -108.607 -23.033 -68.9303 -23.0329 -376.247 27.4176 -68.9292 27.4164 -153.151 GPRESSURE: 3168800 -31.1311 9.41264 -16.8108 -24.9104 -344.209 2.33186 -51.5698 -34.0506 -147.608 PRESSAVG: 3168800 -29.2056 1.34907 39.8229 1.34903 15.9023 -50.427 39.8229 -50.427 -6.96859 GPRESSAVG: 3168800 -28.402 0.705758 40.3969 3.17671 14.6113 -50.5424 38.4801 -50.9664 -7.28662 TIMING: 3168800 CPU: 9467.6, 0.00301916/step Wall: 9467.6, 0.00301916/step, 1.53575 hours remaining, 206.734375 MB of memory in use. ENERGY: 3168800 777.0357 2065.9417 1917.8113 121.6698 -205643.1036 17375.1220 0.0000 0.0000 34152.2297 -149233.2933 298.2599 -183385.5230 -149127.3876 298.1951 -212.6685 -174.3160 558329.2506 -6.7573 -7.0258 PRESSURE: 3169000 -164.536 70.5541 64.448 70.5538 78.9636 -49.4765 64.4502 -49.4778 339.357 GPRESSURE: 3169000 -122.092 -67.793 64.9933 111.149 126.329 -34.8935 -40.1274 -159.29 346.624 PRESSAVG: 3169000 4.17511 -28.123 5.25756 -28.1229 28.3493 -85.7847 5.25765 -85.7847 -31.5007 GPRESSAVG: 3169000 4.50922 -28.5987 4.38253 -28.047 28.0632 -85.7944 6.90548 -85.6381 -31.6218 TIMING: 3169000 CPU: 9468.2, 0.00301797/step Wall: 9468.2, 0.00301797/step, 1.53497 hours remaining, 206.734375 MB of memory in use. ENERGY: 3169000 755.1403 2147.0352 1925.2797 120.4017 -206394.6227 18164.3877 0.0000 0.0000 34045.2073 -149237.1708 297.3253 -183282.3781 -149139.5511 299.1177 84.5947 116.9537 558836.6099 0.3412 0.3169 PRESSURE: 3169200 242.793 -166.029 -78.5759 -166.03 306.167 -22.4517 -78.5751 -22.4514 -184.846 GPRESSURE: 3169200 271.341 -161.376 -38.8036 -154.886 320.208 -94.948 16.6375 52.2891 -137.268 PRESSAVG: 3169200 35.5042 -28.2263 -36.0605 -28.2264 -26.8532 -40.9774 -36.0605 -40.9773 31.2503 GPRESSAVG: 3169200 34.1253 -28.2733 -34.5995 -27.3556 -25.3681 -40.3385 -38.089 -41.5439 31.6979 TIMING: 3169200 CPU: 9468.81, 0.00303692/step Wall: 9468.81, 0.00303692/step, 1.54444 hours remaining, 206.734375 MB of memory in use. ENERGY: 3169200 713.3834 2118.3670 1915.0993 115.8795 -206080.6933 18101.4712 0.0000 0.0000 33975.4739 -149141.0190 296.7163 -183116.4929 -149051.0736 298.7173 121.3712 151.4272 558322.7565 13.3004 13.4850 PRESSURE: 3169400 -27.7235 -59.5821 55.2701 -59.5819 40.3115 42.6618 55.2691 42.6621 -340.526 GPRESSURE: 3169400 -7.09387 3.05239 38.5658 -39.2099 98.2855 56.6869 46.6037 93.6693 -316.002 PRESSAVG: 3169400 -44.0128 -29.7988 6.28727 -29.7988 49.03 -15.0906 6.28724 -15.0906 -22.3062 GPRESSAVG: 3169400 -41.9119 -29.4498 5.22671 -29.8411 48.8852 -16.7922 7.05714 -14.4495 -23.7311 TIMING: 3169400 CPU: 9469.41, 0.00302013/step Wall: 9469.41, 0.00302013/step, 1.53574 hours remaining, 206.734375 MB of memory in use. ENERGY: 3169400 760.9696 2128.6342 1949.7711 109.8060 -205887.1674 17837.4133 0.0000 0.0000 34069.5523 -149031.0209 297.5379 -183100.5732 -148933.3912 298.5161 -109.3125 -74.9368 560795.9921 -5.7630 -5.5859 PRESSURE: 3169600 -7.85618 -157.6 102.709 -157.601 125.682 69.4379 102.708 69.4384 -47.0365 GPRESSURE: 3169600 41.5083 -109.478 91.4214 -210.728 112.034 94.5933 89.0925 37.6465 11.2098 PRESSAVG: 3169600 -39.908 -6.58505 17.0528 -6.58498 19.4374 -6.2321 17.0529 -6.23211 28.4703 GPRESSAVG: 3169600 -40.1731 -5.87885 17.5175 -6.83646 19.0403 -4.67814 15.8215 -6.39866 29.7346 TIMING: 3169600 CPU: 9470.02, 0.00302108/step Wall: 9470.02, 0.00302108/step, 1.53605 hours remaining, 206.734375 MB of memory in use. ENERGY: 3169600 750.7629 2104.9255 1936.6024 120.6119 -205912.9604 17883.5547 0.0000 0.0000 34154.1479 -148962.3552 298.2767 -183116.5031 -148876.9317 298.9636 23.5966 54.9174 558336.0818 2.6666 2.8673 PRESSURE: 3169800 -103.341 75.2167 -20.8954 75.2161 -242.018 11.6809 -20.8944 11.6805 -181.09 GPRESSURE: 3169800 -66.8329 87.7697 -62.7122 133.8 -221.406 -86.8754 8.04637 89.7457 -141.339 PRESSAVG: 3169800 14.1943 30.4807 25.1205 30.4806 -31.5353 69.9199 25.1205 69.9199 -19.6383 GPRESSAVG: 3169800 13.7652 31.1943 26.3393 29.8065 -31.3143 69.0772 26.0472 70.7138 -19.7115 TIMING: 3169800 CPU: 9470.62, 0.00300792/step Wall: 9470.62, 0.00300792/step, 1.52919 hours remaining, 206.734375 MB of memory in use. ENERGY: 3169800 754.3468 2145.2038 1926.9658 113.7137 -205815.4180 17621.6609 0.0000 0.0000 34173.8110 -149079.7161 298.4484 -183253.5271 -148986.8159 298.9421 -175.4828 -143.1930 558410.4857 -12.3264 -12.4202 PRESSURE: 3170000 23.8722 -68.709 -91.7702 -68.7092 -25.17 -36.837 -91.7693 -36.8376 -24.2028 GPRESSURE: 3170000 14.2305 -140 -149.807 5.77762 94.3558 12.6231 -9.76282 -111.497 -47.6802 PRESSAVG: 3170000 31.7869 10.785 -23.6523 10.785 15.5236 16.2298 -23.6523 16.2299 -44.6621 GPRESSAVG: 3170000 33.8954 8.15379 -24.5451 12.1889 15.2517 18.277 -23.6996 14.6441 -46.1679 TIMING: 3170000 CPU: 9471.22, 0.00299385/step Wall: 9471.22, 0.00299385/step, 1.52188 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: 3170000 760.2134 2115.7098 1945.1531 113.2554 -206092.8858 17809.0717 0.0000 0.0000 34242.1927 -149107.2898 299.0456 -183349.4826 -149013.4160 299.2980 -8.5002 20.3020 558675.9701 0.8828 0.9931 PRESSURE: 3170200 -68.2539 -43.5499 -35.297 -43.5499 152.559 -168.869 -35.2974 -168.868 71.2048 GPRESSURE: 3170200 0.221334 -29.3951 -143.762 -58.9816 137.217 -181.325 -20.0222 -156.006 121.571 PRESSAVG: 3170200 21.8285 -74.555 -21.5387 -74.5551 4.25917 -25.7102 -21.5386 -25.7102 -34.7244 GPRESSAVG: 3170200 20.8251 -73.1886 -22.4012 -75.8308 4.90518 -26.3926 -21.7304 -25.415 -34.0798 TIMING: 3170200 CPU: 9471.82, 0.00302245/step Wall: 9471.82, 0.00302245/step, 1.53624 hours remaining, 206.734375 MB of memory in use. ENERGY: 3170200 717.2396 2065.6637 1954.6012 105.9996 -206159.9947 17851.8124 0.0000 0.0000 34433.6527 -149031.0255 300.7177 -183464.6782 -148931.7570 300.3944 51.8366 86.3362 558154.3499 -2.8789 -2.7832 PRESSURE: 3170400 -232.986 -38.9543 -31.5553 -38.954 -75.0197 -8.91374 -31.5559 -8.91289 -177.745 GPRESSURE: 3170400 -266.887 32.3411 -38.5908 -116.686 -14.66 45.1386 -62.5232 -38.5638 -95.7766 PRESSAVG: 3170400 11.5634 -26.7462 -16.4651 -26.7462 -26.4831 -60.7753 -16.465 -60.7754 -11.4198 GPRESSAVG: 3170400 12.2563 -27.3782 -17.239 -26.7441 -27.7517 -60.1059 -14.6203 -61.3698 -10.2856 TIMING: 3170400 CPU: 9472.42, 0.00301827/step Wall: 9472.42, 0.00301827/step, 1.53395 hours remaining, 206.734375 MB of memory in use. ENERGY: 3170400 735.4074 2121.3974 1952.8966 119.6695 -205743.1097 17605.3696 0.0000 0.0000 34222.5644 -148985.8048 298.8742 -183208.3692 -148892.2464 299.6063 -161.9168 -125.7747 558748.6370 -8.7799 -8.5937 PRESSURE: 3170600 -50.4776 -20.8093 0.172177 -20.8098 -62.4593 -7.95944 0.17074 -7.96054 -77.4488 GPRESSURE: 3170600 -3.05423 -6.02064 44.6804 -20.5408 -46.7608 -18.5574 10.1724 -39.2566 -39.9307 PRESSAVG: 3170600 38.3744 6.3716 -15.1095 6.37161 15.1649 28.464 -15.1096 28.464 -67.052 GPRESSAVG: 3170600 37.2875 8.52808 -14.3745 6.25892 15.8343 27.7043 -15.0552 31.5931 -67.3141 TIMING: 3170600 CPU: 9473.03, 0.00301489/step Wall: 9473.03, 0.00301489/step, 1.53207 hours remaining, 206.734375 MB of memory in use. ENERGY: 3170600 703.7588 2081.7850 1920.0013 107.9727 -205976.2641 17813.7336 0.0000 0.0000 34359.2651 -148989.7475 300.0680 -183349.0126 -148881.0087 299.0716 -63.4619 -29.9153 559267.4272 -4.5042 -4.7308 PRESSURE: 3170800 9.18993 -28.6281 31.9027 -28.6289 289.393 6.44566 31.903 6.44495 216.839 GPRESSURE: 3170800 57.0966 -19.4585 -39.0741 -14.2291 361.449 52.5017 97.7427 37.6708 194.467 PRESSAVG: 3170800 30.879 -36.9683 -13.9213 -36.9683 8.96304 21.3144 -13.9214 21.3144 -39.1598 GPRESSAVG: 3170800 31.2841 -38.4112 -14.7539 -37.8542 9.5399 22.3286 -15.8594 21.2261 -39.895 TIMING: 3170800 CPU: 9473.63, 0.00301294/step Wall: 9473.63, 0.00301294/step, 1.53091 hours remaining, 206.734375 MB of memory in use. ENERGY: 3170800 674.3787 2069.4240 1965.3084 116.7023 -206169.3081 17857.6669 0.0000 0.0000 34336.3095 -149149.5183 299.8675 -183485.8279 -149052.4685 299.7063 171.8073 204.3376 556606.3934 0.2274 0.3097 PRESSURE: 3171000 86.4736 -161.373 16.3291 -161.373 -198.28 28.4579 16.3298 28.4559 47.3728 GPRESSURE: 3171000 150.482 -213.875 126.141 -137.224 -162.131 -66.3945 -8.43589 38.4447 37.1708 PRESSAVG: 3171000 -13.2616 -59.2391 -17.823 -59.2391 64.2902 38.2674 -17.8229 38.2675 -7.20964 GPRESSAVG: 3171000 -13.0673 -59.8118 -18.2853 -59.3625 64.0812 37.4232 -17.7169 36.7272 -7.74327 TIMING: 3171000 CPU: 9474.23, 0.00300461/step Wall: 9474.23, 0.00300461/step, 1.52651 hours remaining, 206.734375 MB of memory in use. ENERGY: 3171000 701.6083 2082.7317 1943.7986 110.0547 -205859.2869 17538.3255 0.0000 0.0000 34419.5576 -149063.2106 300.5946 -183482.7682 -148964.7477 299.2099 -21.4778 8.5074 558144.0677 14.6063 14.4235 PRESSURE: 3171200 -38.657 -15.9928 -186.498 -15.9916 -51.7761 216.691 -186.499 216.69 73.5677 GPRESSURE: 3171200 21.362 -60.023 -166.126 -2.96966 -35.9526 108.979 -191.618 252.072 103.538 PRESSAVG: 3171200 -24.8888 -49.7853 -23.4404 -49.7853 -45.6109 51.5227 -23.4405 51.5228 54.3563 GPRESSAVG: 3171200 -25.7246 -49.4427 -21.695 -48.8109 -45.806 49.4832 -24.4687 53.1184 55.4301 TIMING: 3171200 CPU: 9474.84, 0.00302709/step Wall: 9474.84, 0.00302709/step, 1.53776 hours remaining, 206.734375 MB of memory in use. ENERGY: 3171200 729.7795 2022.8749 1958.6666 106.8127 -206020.0802 17811.0389 0.0000 0.0000 34334.6915 -149056.2162 299.8534 -183390.9077 -148960.6723 299.5663 -5.6218 29.6491 557534.7417 -5.3812 -5.3668 PRESSURE: 3171400 50.5003 -16.0817 -23.8272 -16.0817 -163.886 182.877 -23.828 182.878 25.087 GPRESSURE: 3171400 114.1 -8.64477 41.4607 -61.9893 -169.527 245.587 -53.6513 169.211 77.5921 PRESSAVG: 3171400 2.31698 -32.2137 -58.3846 -32.2137 -7.10406 44.0758 -58.3847 44.0758 9.69466 GPRESSAVG: 3171400 1.92438 -31.7408 -60.8892 -33.0175 -6.48271 46.4301 -57.7095 43.4233 9.58602 TIMING: 3171400 CPU: 9475.44, 0.00299735/step Wall: 9475.44, 0.00299735/step, 1.52249 hours remaining, 206.734375 MB of memory in use. ENERGY: 3171400 709.6350 2035.3331 1957.4302 117.6069 -205988.9003 17780.6565 0.0000 0.0000 34259.8741 -149128.3645 299.2000 -183388.2386 -149029.3581 299.6944 -29.4329 7.3886 557235.2992 1.6359 1.6759 PRESSURE: 3171600 153.573 -8.63334 58.8737 -8.6335 -65.8133 9.94066 58.8745 9.94095 -76.359 GPRESSURE: 3171600 169.813 -63.1025 37.957 65.267 -28.2629 52.3755 -17.1 15.5698 -39.1818 PRESSAVG: 3171600 -36.4568 12.0988 13.0441 12.0988 -0.0336196 34.2765 13.0441 34.2764 61.6888 GPRESSAVG: 3171600 -35.5212 10.5119 12.5934 13.3295 -0.908562 33.8958 14.4001 34.6477 61.9158 TIMING: 3171600 CPU: 9476.04, 0.00300846/step Wall: 9476.04, 0.00300846/step, 1.52796 hours remaining, 206.734375 MB of memory in use. ENERGY: 3171600 753.2532 2077.7788 1942.2190 106.4637 -206495.3907 18054.6791 0.0000 0.0000 34441.7208 -149119.2761 300.7881 -183560.9969 -149029.1595 299.9514 3.8002 34.1229 556897.2073 8.3995 8.4953 PRESSURE: 3171800 -83.2267 -29.2078 -32.2485 -29.2083 -80.2351 -97.278 -32.2479 -97.2786 -243.167 GPRESSURE: 3171800 -54.4985 -54.1984 -62.851 41.8132 -91.4781 -152.222 -36.9496 1.99545 -169.184 PRESSAVG: 3171800 89.9385 26.0877 29.4534 26.0877 -32.0344 9.92357 29.4533 9.92349 -60.7585 GPRESSAVG: 3171800 88.872 26.9735 32.3512 25.5709 -31.0824 8.7237 28.7145 9.7188 -61.2607 TIMING: 3171800 CPU: 9476.64, 0.00301653/step Wall: 9476.64, 0.00301653/step, 1.53189 hours remaining, 206.734375 MB of memory in use. ENERGY: 3171800 709.3387 2103.6615 1911.4185 101.0169 -205747.0361 17544.6847 0.0000 0.0000 34366.7476 -149010.1684 300.1334 -183376.9159 -148913.8248 299.7170 -135.5429 -105.0534 558046.0453 -0.9515 -1.1571 PRESSURE: 3172000 -323.374 -111.549 67.9564 -111.549 -61.1147 -16.6023 67.9558 -16.602 -122.406 GPRESSURE: 3172000 -238.878 -76.4113 -8.1854 -45.1405 -85.9263 -16.0991 118.887 14.6536 -68.3596 PRESSAVG: 3172000 -14.848 35.9492 34.1113 35.9492 38.5686 -15.2181 34.1113 -15.2181 -38.7033 GPRESSAVG: 3172000 -14.3346 35.6547 32.4564 36.714 38.7955 -14.4546 34.5696 -15.4669 -38.7455 TIMING: 3172000 CPU: 9477.24, 0.00301136/step Wall: 9477.24, 0.00301136/step, 1.5291 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: 3172000 736.6323 2060.4795 1934.7243 122.8315 -205465.9798 17511.9477 0.0000 0.0000 34044.2366 -149055.1279 297.3168 -183099.3645 -148965.4475 299.5024 -168.9650 -131.0546 558765.0379 -4.9942 -4.7615 PRESSURE: 3172200 224.9 87.4273 -24.2959 87.426 228.593 -52.9103 -24.2956 -52.9109 -133.273 GPRESSURE: 3172200 301.093 97.5842 25.3889 89.8244 172.583 -115.254 48.4204 -35.5344 -47.9762 PRESSAVG: 3172200 18.658 45.4761 2.49281 45.4761 -29.5041 6.14444 2.49272 6.14435 18.744 GPRESSAVG: 3172200 19.5203 46.2296 3.37083 43.9562 -30.8609 5.58226 2.49739 5.60812 19.5859 TIMING: 3172200 CPU: 9477.85, 0.00302566/step Wall: 9477.85, 0.00302566/step, 1.53619 hours remaining, 206.734375 MB of memory in use. ENERGY: 3172200 701.7413 2125.8095 1912.0077 111.8560 -206026.2742 17852.2893 0.0000 0.0000 34323.8229 -148998.7475 299.7585 -183322.5703 -148894.5062 299.1921 106.7402 141.8998 557485.5378 2.6326 2.7484 LDB: ============= START OF LOAD BALANCING ============== 9481.28 LDB: ============== END OF LOAD BALANCING =============== 9481.28 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9481.28 LDB: ============= START OF LOAD BALANCING ============== 9481.58 LDB: Largest compute 4819 load 0.027570 is 23.4% of average load 0.118057 LDB: Average compute 0.001742 is 1.5% of average load 0.118057 LDB: TIME 9481.58 LOAD: AVG 0.118057 MAX 0.206061 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 9481.58 LOAD: AVG 0.118057 MAX 0.206061 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: TIME 9481.58 LOAD: AVG 0.118057 MAX 0.206061 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9481.58 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9481.59 PRESSURE: 3172400 -63.747 40.243 71.2108 40.2416 -93.4525 92.8365 71.2112 92.838 -9.41634 GPRESSURE: 3172400 -70.5196 -29.6272 61.6788 29.1086 -38.6869 -7.53416 34.6706 127.701 43.8772 PRESSAVG: 3172400 -27.7765 7.02916 -16.9465 7.02921 -36.3266 -11.9445 -16.9465 -11.9445 65.4616 GPRESSAVG: 3172400 -28.002 5.97422 -16.261 8.46895 -35.182 -11.2627 -18.2712 -11.5186 64.5074 TIMING: 3172400 CPU: 9478.46, 0.00304914/step Wall: 9478.46, 0.00304914/step, 1.54795 hours remaining, 207.480469 MB of memory in use. ENERGY: 3172400 773.7466 2080.5812 1912.3745 106.8103 -205833.2404 17597.3276 0.0000 0.0000 34269.3611 -149093.0392 299.2829 -183362.4003 -148994.8716 299.5498 -55.5386 -21.7764 558368.4677 0.4529 0.4411 PRESSURE: 3172600 35.3902 -154.544 97.3181 -154.544 98.2184 -86.0473 97.3195 -86.048 -97.1582 GPRESSURE: 3172600 55.8177 -127.977 50.4342 -132.073 119.031 -46.5429 45.0809 -99.597 -28.9527 PRESSAVG: 3172600 -40.6301 20.6663 -35.6158 20.6664 30.4263 40.9689 -35.6157 40.9689 3.99238 GPRESSAVG: 3172600 -41.0712 22.9635 -36.0521 20.8614 29.1743 41.4525 -35.7368 38.8914 5.67857 TIMING: 3172600 CPU: 9479.06, 0.0030069/step Wall: 9479.06, 0.0030069/step, 1.52634 hours remaining, 207.480469 MB of memory in use. ENERGY: 3172600 766.6185 2092.0421 1954.3392 113.6705 -206310.4309 17860.5834 0.0000 0.0000 34315.1385 -149208.0387 299.6826 -183523.1772 -149103.5793 298.4618 12.1501 48.6320 556368.4150 -2.0705 -2.0728 PRESSURE: 3172800 -322.083 -6.25764 -63.3183 -6.25869 -32.0147 -148.912 -63.319 -148.913 -341.233 GPRESSURE: 3172800 -330.909 13.7909 14.3841 -19.1136 16.3267 -230.383 -99.0137 -105.985 -280.542 PRESSAVG: 3172800 -81.4668 4.51432 -12.2976 4.51433 139.178 8.84054 -12.2976 8.84049 -49.8007 GPRESSAVG: 3172800 -80.9065 3.77889 -12.9046 3.97704 140.084 10.8815 -10.4075 7.28951 -51.2654 TIMING: 3172800 CPU: 9479.66, 0.00301105/step Wall: 9479.66, 0.00301105/step, 1.52828 hours remaining, 207.546875 MB of memory in use. ENERGY: 3172800 761.3375 2135.4955 1938.1972 112.3415 -205510.3007 17526.8954 0.0000 0.0000 34172.4940 -148863.5395 298.4369 -183036.0335 -148764.9368 299.5345 -231.7767 -198.3747 559792.0983 2.6369 2.6372 PRESSURE: 3173000 -96.8195 -19.6832 58.6941 -19.6834 -0.992032 -46.0821 58.6941 -46.082 -166.983 GPRESSURE: 3173000 -23.6619 -67.4525 105.195 45.0115 -38.1067 -26.3071 75.772 -43.2575 -101.583 PRESSAVG: 3173000 -49.9088 -53.4962 -7.65287 -53.4963 41.7428 27.7181 -7.65294 27.7181 50.9474 GPRESSAVG: 3173000 -50.6971 -55.4402 -7.91775 -52.0765 42.0283 25.1465 -8.01246 32.4518 51.8169 TIMING: 3173000 CPU: 9480.27, 0.00302033/step Wall: 9480.27, 0.00302033/step, 1.53282 hours remaining, 207.546875 MB of memory in use. ENERGY: 3173000 734.1670 2167.1921 1947.8554 105.3933 -205566.4905 17561.5842 0.0000 0.0000 34211.9683 -148838.3302 298.7816 -183050.2985 -148739.6995 299.4873 -88.2650 -54.4504 560067.1483 14.2605 14.3827 PRESSURE: 3173200 -170.97 44.9331 -35.8303 44.9331 185.933 1.57123 -35.8301 1.57136 -202.699 GPRESSURE: 3173200 -94.1208 52.7201 -49.3115 141.854 195.178 -32.2106 -61.3615 52.8507 -193.608 PRESSAVG: 3173200 -3.29628 -20.4682 -5.6482 -20.4682 -35.0991 29.3468 -5.64824 29.3467 -4.65246 GPRESSAVG: 3173200 -3.06677 -20.1467 -4.94503 -21.3303 -36.2721 28.5112 -7.71842 28.7486 -4.02582 TIMING: 3173200 CPU: 9480.87, 0.00300656/step Wall: 9480.87, 0.00300656/step, 1.52566 hours remaining, 207.546875 MB of memory in use. ENERGY: 3173200 756.0252 2140.1857 1928.9436 124.7779 -205767.1048 17697.7019 0.0000 0.0000 34182.1680 -148937.3026 298.5214 -183119.4705 -148846.6533 300.0854 -62.5788 -30.8503 558915.5521 -14.3493 -14.4549 PRESSURE: 3173400 243.963 -124.214 -10.1651 -124.213 271.291 132.754 -10.1655 132.755 123.093 GPRESSURE: 3173400 302.967 -116.553 113.999 -101.434 275.726 27.1202 -164.354 199.41 159.799 PRESSAVG: 3173400 9.28768 13.1238 0.888487 13.1238 61.8203 -15.5873 0.888552 -15.5873 -20.2254 GPRESSAVG: 3173400 9.56791 13.851 2.83743 12.6249 62.4246 -13.6321 -0.871591 -15.155 -21.1929 TIMING: 3173400 CPU: 9481.47, 0.0030129/step Wall: 9481.47, 0.0030129/step, 1.52871 hours remaining, 207.546875 MB of memory in use. ENERGY: 3173400 717.1737 2110.1879 1915.7009 119.7820 -206262.4158 18123.6626 0.0000 0.0000 34263.0583 -149012.8504 299.2278 -183275.9087 -148908.1954 299.8004 212.7824 246.1643 558293.5963 16.9609 16.9332 PRESSURE: 3173600 -32.5177 -230.518 21.6413 -230.52 -201.021 56.9446 21.6414 56.9445 -23.8498 GPRESSURE: 3173600 0.814775 -188.845 46.3219 -187.944 -147.681 125.333 -27.3283 -3.73897 -5.93557 PRESSAVG: 3173600 4.72694 -4.8381 13.3645 -4.83814 -2.69303 52.1639 13.3644 52.1639 13.2008 GPRESSAVG: 3173600 4.59073 -3.41623 12.4811 -5.24828 -3.48302 52.4618 16.5779 47.7826 14.0186 TIMING: 3173600 CPU: 9482.07, 0.00301596/step Wall: 9482.07, 0.00301596/step, 1.5301 hours remaining, 207.546875 MB of memory in use. ENERGY: 3173600 741.5723 2056.1962 1973.3917 108.2213 -205920.2919 17641.9592 0.0000 0.0000 34457.9135 -148941.0378 300.9295 -183398.9513 -148844.6920 299.4038 -85.7963 -50.9341 557735.3635 5.0782 5.0421 PRESSURE: 3173800 187.109 111.015 -45.3864 111.015 -223.721 -39.4789 -45.3854 -39.479 -168.729 GPRESSURE: 3173800 219.709 56.4969 -109.262 115.174 -148.176 -48.2293 -8.70975 -46.6358 -170.795 PRESSAVG: 3173800 22.5671 13.8508 -22.827 13.8509 -53.088 42.7619 -22.8271 42.762 13.4944 GPRESSAVG: 3173800 22.5052 12.4159 -24.9274 15.1542 -52.311 42.1671 -22.3417 46.7003 12.6706 TIMING: 3173800 CPU: 9482.68, 0.00301549/step Wall: 9482.68, 0.00301549/step, 1.52969 hours remaining, 207.546875 MB of memory in use. ENERGY: 3173800 784.5474 2116.3668 1945.9755 105.7160 -206138.8904 17867.3028 0.0000 0.0000 34412.6490 -148906.3328 300.5342 -183318.9819 -148807.9643 300.1199 -68.4471 -33.0874 559903.7892 -5.6755 -5.7117 PRESSURE: 3174000 12.3109 5.76137 -136.621 5.76 54.7123 127.125 -136.621 127.125 -28.1868 GPRESSURE: 3174000 78.1241 92.2093 -21.4963 -57.1051 48.3266 87.8252 -225.676 85.0403 7.24606 PRESSAVG: 3174000 33.1497 -44.0185 -7.69697 -44.0184 -56.2141 52.3439 -7.69703 52.344 -4.96463 GPRESSAVG: 3174000 32.858 -41.9221 -5.31244 -44.5435 -55.9753 52.4766 -7.94464 50.6366 -4.28005 TIMING: 3174000 CPU: 9483.27, 0.00299266/step Wall: 9483.27, 0.00299266/step, 1.51794 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: 3174000 759.7263 2097.0578 1948.2498 110.3952 -206603.7344 18134.3550 0.0000 0.0000 34491.1846 -149062.7656 301.2201 -183553.9502 -148970.6104 299.8539 12.9455 44.5656 557936.7384 -9.3430 -9.1325 PRESSURE: 3174200 188.991 -32.8979 4.23967 -32.8981 170.328 -83.4163 4.24121 -83.4164 -66.2582 GPRESSURE: 3174200 186.994 -93.3183 -32.9697 -34.5809 238.409 -36.3071 6.48526 -118.212 -30.9819 PRESSAVG: 3174200 55.8235 -33.7505 58.7019 -33.7504 17.7193 6.4406 58.7019 6.44052 -41.6585 GPRESSAVG: 3174200 56.6003 -36.373 59.1191 -32.8321 17.3738 6.12331 57.9194 7.24015 -41.8274 TIMING: 3174200 CPU: 9483.88, 0.00301952/step Wall: 9483.88, 0.00301952/step, 1.5314 hours remaining, 207.546875 MB of memory in use. ENERGY: 3174200 732.4686 2115.1603 1945.0897 110.4041 -206295.0150 17905.2582 0.0000 0.0000 34356.2270 -149130.4072 300.0415 -183486.6342 -149030.3549 299.8694 97.6867 131.4740 556843.8474 10.6281 10.7156 PRESSURE: 3174400 -8.087 -15.0412 179.328 -15.0427 -98.6255 -176.406 179.329 -176.406 -5.36865 GPRESSURE: 3174400 65.3326 -58.6243 183.036 25.0142 -62.5733 -190.83 41.7031 -211.24 -14.6834 PRESSAVG: 3174400 -20.0351 2.81233 44.4917 2.81231 24.4229 -13.6806 44.4918 -13.6806 58.8965 GPRESSAVG: 3174400 -21.1906 3.99355 43.8188 2.90336 24.3232 -11.2894 45.144 -14.7341 59.6143 TIMING: 3174400 CPU: 9484.48, 0.00300295/step Wall: 9484.48, 0.00300295/step, 1.52283 hours remaining, 207.546875 MB of memory in use. ENERGY: 3174400 723.8233 2100.2985 1950.5275 104.2126 -205884.2161 17709.5667 0.0000 0.0000 34343.0650 -148952.7225 299.9265 -183295.7875 -148856.0698 299.1463 -37.3604 -3.9747 557814.2265 21.0948 20.9156 PRESSURE: 3174600 -32.5874 83.2817 -137.495 83.2813 -78.689 -62.1246 -137.494 -62.1234 -208.779 GPRESSURE: 3174600 60.4358 3.05328 -197.277 68.1408 -72.3593 -160.666 -44.0712 -2.21243 -190.233 PRESSAVG: 3174600 20.198 7.81928 24.3983 7.81928 -8.67486 -30.6091 24.3983 -30.6091 36.2821 GPRESSAVG: 3174600 20.27 7.38697 23.5497 6.26519 -7.71285 -32.697 25.0751 -30.2478 35.1764 TIMING: 3174600 CPU: 9485.08, 0.00302359/step Wall: 9485.08, 0.00302359/step, 1.53313 hours remaining, 207.546875 MB of memory in use. ENERGY: 3174600 734.0979 2047.6204 1966.4172 109.4989 -206003.9477 17790.1527 0.0000 0.0000 34255.9443 -149100.2161 299.1657 -183356.1605 -148990.7260 299.9813 -106.6851 -67.3854 559317.2475 15.9351 15.9112 PRESSURE: 3174800 195.965 17.9738 -140.241 17.974 282.126 -169.66 -140.242 -169.66 285.756 GPRESSURE: 3174800 243.059 154.746 -86.8971 -147.762 319.573 -195.122 -103.648 -133.866 311.591 PRESSAVG: 3174800 -38.4948 -33.4827 10.448 -33.4825 31.7458 -19.2204 10.448 -19.2205 21.2212 GPRESSAVG: 3174800 -38.3253 -33.7022 9.56495 -34.973 31.6629 -22.4109 9.75195 -17.2154 21.1723 TIMING: 3174800 CPU: 9485.68, 0.00298438/step Wall: 9485.68, 0.00298438/step, 1.51308 hours remaining, 207.546875 MB of memory in use. ENERGY: 3174800 729.6959 2048.9703 1965.3767 107.2370 -206530.8587 18250.8527 0.0000 0.0000 34294.7330 -149133.9931 299.5044 -183428.7261 -149041.1442 299.4136 254.6157 291.4074 556699.9324 4.8240 4.8366 PRESSURE: 3175000 -275.559 15.7268 122.033 15.7263 -151.842 3.61802 122.033 3.61684 -40.2416 GPRESSURE: 3175000 -260.888 -25.1145 194.463 -9.85844 -85.2633 -37.4017 55.188 -1.9849 -22.3187 PRESSAVG: 3175000 15.6763 -45.6705 -47.2929 -45.6705 -11.5069 49.1723 -47.2929 49.1723 49.0299 GPRESSAVG: 3175000 16.1939 -44.3369 -45.9963 -44.8693 -12.4334 52.976 -47.9947 47.5587 49.117 TIMING: 3175000 CPU: 9486.29, 0.00302179/step Wall: 9486.29, 0.00302179/step, 1.53188 hours remaining, 207.546875 MB of memory in use. ENERGY: 3175000 724.3311 2037.7472 1927.7480 118.2900 -205755.0496 17615.7749 0.0000 0.0000 34268.6321 -149062.5264 299.2765 -183331.1585 -148957.2883 299.6587 -155.8811 -122.8235 559355.7162 17.7331 17.6258 PRESSURE: 3175200 -110.208 73.3304 -64.5479 73.3309 -274.493 -75.3015 -64.547 -75.3021 126.054 GPRESSURE: 3175200 -88.3899 68.6849 8.27282 108.536 -217.921 -65.9555 -103.144 -64.1858 153.767 PRESSAVG: 3175200 -23.2661 -25.9653 -35.0002 -25.9653 15.5487 16.3027 -35.0001 16.3026 33.0759 GPRESSAVG: 3175200 -22.6811 -27.42 -35.7665 -25.0275 13.9641 16.4144 -34.6067 15.3499 33.6804 TIMING: 3175200 CPU: 9486.88, 0.0029988/step Wall: 9486.88, 0.0029988/step, 1.52006 hours remaining, 207.546875 MB of memory in use. ENERGY: 3175200 757.2041 2125.4724 1947.9132 112.0691 -206002.2712 17665.1199 0.0000 0.0000 34183.0486 -149211.4439 298.5291 -183394.4925 -149115.6541 299.2346 -86.2158 -50.8480 557978.8432 8.4528 8.3211 PRESSURE: 3175400 38.5781 -54.06 136.94 -54.0603 -66.3142 -2.04392 136.939 -2.04406 -89.1431 GPRESSURE: 3175400 66.8081 -47.622 134.294 -63.9436 -14.18 11.9487 161.688 -53.7954 -64.2871 PRESSAVG: 3175400 -14.5612 -55.1015 55.7575 -55.1014 -16.6351 28.3787 55.7576 28.3788 30.91 GPRESSAVG: 3175400 -13.4857 -55.8622 55.2484 -55.5867 -17.0708 28.3352 55.9449 29.4487 30.5492 TIMING: 3175400 CPU: 9487.49, 0.00303048/step Wall: 9487.49, 0.00303048/step, 1.53595 hours remaining, 207.546875 MB of memory in use. ENERGY: 3175400 736.4982 2086.4277 1961.0517 104.2558 -206311.6150 17857.3220 0.0000 0.0000 34149.5154 -149416.5442 298.2362 -183566.0596 -149316.0286 299.1004 -38.9597 -3.8864 557861.5182 -0.0954 -0.0024 PRESSURE: 3175600 -126.577 27.6199 63.6957 27.6191 -262.132 26.2791 63.6945 26.2783 -382.84 GPRESSURE: 3175600 -94.7219 7.03721 126.552 -3.09545 -260.331 27.6021 13.1219 24.074 -311.705 PRESSAVG: 3175600 10.5212 -43.0868 -31.3677 -43.0869 -1.33919 12.0188 -31.3677 12.0189 36.4144 GPRESSAVG: 3175600 10.4384 -42.082 -29.7069 -44.2697 -1.93894 10.3563 -30.6363 13.5706 36.9944 TIMING: 3175600 CPU: 9488.09, 0.00302039/step Wall: 9488.09, 0.00302039/step, 1.53067 hours remaining, 207.546875 MB of memory in use. ENERGY: 3175600 726.5837 2069.3177 1953.2723 118.2284 -206001.2233 17432.1221 0.0000 0.0000 34175.2000 -149526.4990 298.4605 -183701.6990 -149430.8154 298.3946 -257.1830 -222.2526 557564.5521 15.1988 15.1646 PRESSURE: 3175800 -283.324 -79.9162 -105.388 -79.9164 -248.914 -8.96873 -105.388 -8.96935 98.5547 GPRESSURE: 3175800 -285.442 -140.723 -46.2552 37.0749 -136.974 31.1093 -127.253 -79.8013 80.07 PRESSAVG: 3175800 56.2698 -33.902 -24.4882 -33.9021 -51.1938 -6.82135 -24.4883 -6.82134 26.5393 GPRESSAVG: 3175800 55.3729 -33.435 -24.8719 -35.0772 -49.5098 -5.05385 -26.5144 -9.76771 25.3418 TIMING: 3175800 CPU: 9488.7, 0.0030051/step Wall: 9488.7, 0.0030051/step, 1.52275 hours remaining, 207.546875 MB of memory in use. ENERGY: 3175800 753.0642 2047.7081 1935.6590 135.7155 -206110.6619 17557.0764 0.0000 0.0000 34187.9646 -149493.4741 298.5720 -183681.4387 -149404.1590 298.4938 -144.5610 -114.1154 557556.0296 10.5384 10.4016 PRESSURE: 3176000 -166.215 137.282 -117.556 137.28 57.5461 21.4098 -117.557 21.4085 -88.6509 GPRESSURE: 3176000 -139.085 135.74 -122.158 70.3172 89.8956 46.3563 -140.636 -1.03845 -36.0002 PRESSAVG: 3176000 14.6507 23.3425 -22.1279 23.3423 -42.4498 -4.65813 -22.1279 -4.65819 54.5084 GPRESSAVG: 3176000 14.2531 21.7978 -20.8733 23.9054 -42.2406 -5.80692 -21.7416 -3.58926 54.7965 TIMING: 3176000 CPU: 9489.3, 0.00299518/step Wall: 9489.3, 0.00299518/step, 1.51756 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: 3176000 740.8926 2052.5444 1947.3106 115.4681 -206468.9859 17989.7647 0.0000 0.0000 34209.2613 -149413.7442 298.7580 -183623.0055 -149314.9319 298.9060 -65.7733 -28.3966 557477.8276 8.9031 8.9363 PRESSURE: 3176200 341.763 64.4891 -45.4068 64.4884 52.8318 -18.9971 -45.4076 -18.9979 156.585 GPRESSURE: 3176200 340.55 81.4212 -59.3907 28.5664 78.3841 -56.2744 -0.229392 9.79632 221.907 PRESSAVG: 3176200 51.9896 44.6446 -18.9658 44.6446 -26.8284 -46.3466 -18.9658 -46.3464 -30.1631 GPRESSAVG: 3176200 51.5633 45.0947 -21.6023 45.8491 -27.0556 -46.6572 -17.0596 -47.2838 -29.5264 TIMING: 3176200 CPU: 9489.9, 0.00300854/step Wall: 9489.9, 0.00300854/step, 1.52416 hours remaining, 207.546875 MB of memory in use. ENERGY: 3176200 733.9154 2061.3386 1969.6233 115.4273 -206327.8535 17890.6946 0.0000 0.0000 34323.0852 -149233.7692 299.7520 -183556.8544 -149135.8438 299.4223 183.7265 213.6136 555322.8502 -1.6673 -1.6729 LDB: ============= START OF LOAD BALANCING ============== 9493.33 LDB: ============== END OF LOAD BALANCING =============== 9493.33 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9493.33 LDB: ============= START OF LOAD BALANCING ============== 9493.63 LDB: Largest compute 4819 load 0.028930 is 24.5% of average load 0.118009 LDB: Average compute 0.001744 is 1.5% of average load 0.118009 LDB: TIME 9493.63 LOAD: AVG 0.118009 MAX 0.205744 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 9493.63 LOAD: AVG 0.118009 MAX 0.205744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: TIME 9493.63 LOAD: AVG 0.118009 MAX 0.205744 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: ============== END OF LOAD BALANCING =============== 9493.63 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9493.64 PRESSURE: 3176400 -164.59 33.8217 -76.473 33.8214 -58.9801 -25.9562 -76.4721 -25.9571 -121.998 GPRESSURE: 3176400 -118.631 31.4646 -75.4418 69.5844 -20.5314 -17.6476 -8.49034 -68.355 -118.849 PRESSAVG: 3176400 -38.1084 12.6098 -26.7722 12.6097 -24.9189 -3.0112 -26.7723 -3.01109 50.56 GPRESSAVG: 3176400 -37.8633 11.5873 -26.4589 13.6245 -25.2824 -2.88751 -27.9155 -3.61039 51.0959 TIMING: 3176400 CPU: 9490.51, 0.00305774/step Wall: 9490.51, 0.00305774/step, 1.54892 hours remaining, 205.429688 MB of memory in use. ENERGY: 3176400 712.2977 2086.3312 1943.6858 110.6355 -206156.3839 17649.6858 0.0000 0.0000 34269.6139 -149384.1340 299.2851 -183653.7479 -149290.9787 299.1000 -115.1893 -86.0040 557203.4658 -4.1557 -4.0166 PRESSURE: 3176600 55.1792 -54.5627 43.7944 -54.5639 -102.753 -39.7499 43.7938 -39.7505 -232.876 GPRESSURE: 3176600 78.2703 -89.5137 62.2622 -87.098 -73.1196 -32.3952 -37.9084 41.2614 -184.925 PRESSAVG: 3176600 -44.6532 15.7664 -0.682703 15.7664 14.9688 -26.2624 -0.682648 -26.2624 65.2051 GPRESSAVG: 3176600 -43.6105 18.6314 -1.56956 13.2663 16.111 -25.3272 -0.282393 -25.4662 63.6754 TIMING: 3176600 CPU: 9491.1, 0.00298177/step Wall: 9491.1, 0.00298177/step, 1.51026 hours remaining, 205.429688 MB of memory in use. ENERGY: 3176600 765.3218 2062.7359 1924.9279 125.8611 -205953.1550 17728.3972 0.0000 0.0000 34129.4565 -149216.4547 298.0610 -183345.9112 -149123.6827 299.2049 -93.4833 -59.9248 557128.7784 11.8402 12.0586 PRESSURE: 3176800 -307.85 -114.716 -67.8726 -114.716 -246.245 56.6213 -67.8707 56.6198 -39.8705 GPRESSURE: 3176800 -275.847 -119.925 -130.506 -70.6357 -287.097 131.505 -30.8138 -13.354 59.0833 PRESSAVG: 3176800 -21.238 -14.9578 -29.4153 -14.9578 -50.1596 13.0397 -29.4153 13.0397 66.1583 GPRESSAVG: 3176800 -21.5853 -18.0463 -30.9442 -11.0859 -51.2982 13.0098 -29.4356 13.5204 67.8239 TIMING: 3176800 CPU: 9491.7, 0.00298603/step Wall: 9491.7, 0.00298602/step, 1.51226 hours remaining, 205.429688 MB of memory in use. ENERGY: 3176800 752.5640 2026.9751 1960.3589 118.0044 -205990.5865 17400.1668 0.0000 0.0000 34538.7390 -149193.7783 301.6354 -183732.5173 -149094.3541 299.8027 -197.9885 -167.9535 557789.8068 -1.7465 -1.6865 PRESSURE: 3177000 -118.431 266.973 5.25956 266.974 -79.8775 5.51389 5.25933 5.5138 65.952 GPRESSURE: 3177000 -78.2497 321.417 29.8899 172.018 -33.4864 -77.1442 11.1552 6.74078 78.5094 PRESSAVG: 3177000 -7.04606 -54.4295 -68.8466 -54.4293 0.99283 -28.5553 -68.8466 -28.5552 -24.8671 GPRESSAVG: 3177000 -6.77097 -52.3664 -65.0427 -57.0572 0.884651 -27.9814 -69.3175 -29.6599 -25.3337 TIMING: 3177000 CPU: 9492.3, 0.00298609/step Wall: 9492.3, 0.00298609/step, 1.51212 hours remaining, 205.429688 MB of memory in use. ENERGY: 3177000 785.6160 2025.2182 1941.8883 123.5228 -206073.0881 17601.3606 0.0000 0.0000 34255.4977 -149339.9846 299.1618 -183595.4822 -149249.4009 299.5139 -44.1187 -11.0756 556344.3360 -10.3068 -10.4067 PRESSURE: 3177200 197.861 78.0325 -14.5687 78.0322 200.21 -43.6453 -14.5686 -43.6453 207.963 GPRESSURE: 3177200 259.087 78.044 23.9889 83.1764 259.255 43.9283 55.3544 -158.662 165.876 PRESSAVG: 3177200 67.4187 27.9516 -8.04911 27.9517 -17.581 -25.5251 -8.04908 -25.5251 -25.0083 GPRESSAVG: 3177200 66.5489 27.0217 -8.14497 28.8253 -15.868 -27.4878 -9.13726 -23.4591 -25.7735 TIMING: 3177200 CPU: 9492.9, 0.00299694/step Wall: 9492.9, 0.00299694/step, 1.51745 hours remaining, 205.429688 MB of memory in use. ENERGY: 3177200 738.8257 2048.8871 1949.3328 121.6080 -206284.6675 17875.7078 0.0000 0.0000 34232.2369 -149318.0691 298.9586 -183550.3060 -149216.3087 299.3058 202.0115 228.0726 556595.6345 8.2765 8.3025 PRESSURE: 3177400 10.4152 138.408 -111.968 138.407 -67.7648 -84.921 -111.968 -84.9222 -9.09456 GPRESSURE: 3177400 33.4685 25.3367 -37.3484 200.467 -26.7312 -120.586 -144.399 -27.06 30.2018 PRESSAVG: 3177400 -35.3479 -12.6931 -46.0195 -12.6932 13.7593 -25.9699 -46.0195 -25.97 -36.4936 GPRESSAVG: 3177400 -35.6251 -13.9652 -46.7734 -13.5722 13.0321 -24.4359 -43.943 -28.5423 -35.2349 TIMING: 3177400 CPU: 9493.5, 0.00300296/step Wall: 9493.5, 0.00300296/step, 1.52033 hours remaining, 205.429688 MB of memory in use. ENERGY: 3177400 710.5016 2075.5993 1959.6738 102.5324 -205980.5940 17730.4011 0.0000 0.0000 34190.4705 -149211.4154 298.5939 -183401.8860 -149111.9907 298.8899 -22.1481 12.3130 557501.4212 -19.3607 -19.2760 PRESSURE: 3177600 23.8919 -133.259 14.353 -133.257 18.9436 -162.89 14.3519 -162.891 -91.1007 GPRESSURE: 3177600 74.2079 -141.107 70.6598 -125.774 71.5315 -151.208 -44.681 -274.139 -89.7622 PRESSAVG: 3177600 22.2613 11.901 6.0413 11.901 61.4295 -6.74008 6.04126 -6.74012 -57.7161 GPRESSAVG: 3177600 22.3195 11.3436 4.39697 12.6553 62.2081 -7.34629 5.37713 -6.47115 -59.0016 TIMING: 3177600 CPU: 9494.1, 0.00300292/step Wall: 9494.1, 0.00300292/step, 1.52015 hours remaining, 205.429688 MB of memory in use. ENERGY: 3177600 689.0181 2147.7314 1937.9926 113.2867 -206045.6803 17653.9293 0.0000 0.0000 34237.3025 -149266.4197 299.0029 -183503.7223 -149169.0994 298.9107 -16.0884 18.6591 557140.8138 8.6582 8.5087 PRESSURE: 3177800 255.456 -120.299 -102.77 -120.299 87.6452 144.2 -102.771 144.202 100.654 GPRESSURE: 3177800 284.501 -230.144 -85.7078 22.9455 106.431 159.215 -153.507 146.134 155.538 PRESSAVG: 3177800 32.4185 -20.3312 38.0778 -20.3313 52.5938 3.72838 38.0778 3.72846 -78.1607 GPRESSAVG: 3177800 32.9459 -17.4282 37.5069 -19.9857 51.1955 4.45295 39.8726 5.06456 -77.7217 TIMING: 3177800 CPU: 9494.7, 0.00300226/step Wall: 9494.7, 0.00300226/step, 1.51965 hours remaining, 205.429688 MB of memory in use. ENERGY: 3177800 718.5486 2125.2480 1931.0042 118.1565 -206221.4045 17788.9744 0.0000 0.0000 34243.3150 -149296.1577 299.0554 -183539.4727 -149201.1732 298.7510 147.9186 182.1568 555658.6979 2.2839 2.1399 PRESSURE: 3178000 148.37 32.7862 204.494 32.7873 -112.972 -122.412 204.495 -122.411 6.64118 GPRESSURE: 3178000 211.019 131.378 163.538 -10.4215 -105.611 -152.686 175.448 -99.3518 45.4616 PRESSAVG: 3178000 67.9323 -3.19863 34.3512 -3.19874 -20.8499 -3.91787 34.3512 -3.91777 -27.6113 GPRESSAVG: 3178000 68.1146 -2.21001 38.0211 -2.38423 -20.0521 -4.3348 31.8968 -4.051 -28.4472 TIMING: 3178000 CPU: 9495.31, 0.00303586/step Wall: 9495.31, 0.00303586/step, 1.53648 hours remaining, 205.429688 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: 3178000 727.8044 2090.3745 1971.4476 111.9086 -206094.9337 17681.1439 0.0000 0.0000 34196.8305 -149315.4243 298.6494 -183512.2547 -149212.9223 298.0109 14.0128 50.2901 556875.3530 6.4904 6.5384 PRESSURE: 3178200 -101.753 26.2234 15.1397 26.2253 42.5236 -98.5244 15.1398 -98.5238 -260.584 GPRESSURE: 3178200 -142.857 -35.6982 16.8112 76.5663 145.505 -133.424 22.2224 -43.2711 -215.455 PRESSAVG: 3178200 66.9991 36.8229 10.1562 36.823 -2.72632 -14.0807 10.1564 -14.0806 -73.3425 GPRESSAVG: 3178200 67.5807 35.5899 8.39511 35.946 -2.20293 -14.5722 11.5854 -14.1211 -73.9559 TIMING: 3178200 CPU: 9495.91, 0.00300868/step Wall: 9495.91, 0.00300868/step, 1.52256 hours remaining, 205.429688 MB of memory in use. ENERGY: 3178200 730.8031 2144.5619 1940.1583 118.9372 -205933.2150 17583.2226 0.0000 0.0000 34084.5225 -149331.0095 297.6686 -183415.5320 -149232.4306 298.3655 -106.6047 -70.9359 558390.1562 -3.0232 -2.8594 PRESSURE: 3178400 -244.016 53.1737 -49.8283 53.1732 161.591 -116.74 -49.8281 -116.74 -4.86157 GPRESSURE: 3178400 -182.224 61.1294 -39.8521 49.3666 211.951 -129.051 -70.6736 -170.812 -21.8581 PRESSAVG: 3178400 11.9709 26.1096 25.0448 26.1097 3.43112 20.5007 25.0447 20.5007 -46.5067 GPRESSAVG: 3178400 10.8867 27.1688 25.8561 25.2223 3.82119 20.66 23.8608 19.6188 -45.2379 TIMING: 3178400 CPU: 9496.51, 0.00302845/step Wall: 9496.51, 0.00302845/step, 1.53239 hours remaining, 205.429688 MB of memory in use. ENERGY: 3178400 763.4519 2091.5132 1992.0519 103.8964 -206619.5974 17937.4793 0.0000 0.0000 34403.9562 -149327.2485 300.4583 -183731.2047 -149230.0119 298.4084 -29.0954 2.6231 556094.1220 -10.3682 -10.1767 PRESSURE: 3178600 147.277 -9.1169 -21.6466 -9.1177 -75.6944 -50.071 -21.6451 -50.071 24.0148 GPRESSURE: 3178600 182.785 -65.2582 -52.5807 41.0052 -86.3863 -12.7181 -71.3341 -44.5658 97.3843 PRESSAVG: 3178600 3.94873 -9.41185 0.523469 -9.41185 2.12851 7.64687 0.523495 7.64685 -5.08742 GPRESSAVG: 3178600 3.83145 -11.9434 -0.719175 -8.70447 2.30036 10.4254 1.01798 7.80717 -4.66925 TIMING: 3178600 CPU: 9497.12, 0.0030135/step Wall: 9497.12, 0.0030135/step, 1.52466 hours remaining, 205.429688 MB of memory in use. ENERGY: 3178600 764.3865 2131.3581 1970.2136 109.3648 -206675.5419 17902.3013 0.0000 0.0000 34407.9562 -149389.9615 300.4932 -183797.9177 -149293.4976 299.0918 31.8656 64.5945 557024.8935 0.3299 0.4875 PRESSURE: 3178800 123.329 -86.9785 39.1879 -86.9796 152.667 -100.079 39.1875 -100.079 -280.468 GPRESSURE: 3178800 186.251 -187.171 89.9451 -28.2675 159.695 -160.869 42.6111 -89.5672 -256.609 PRESSAVG: 3178800 32.1407 6.67462 19.045 6.67456 19.2536 36.4861 19.0451 36.486 -43.2899 GPRESSAVG: 3178800 32.723 5.63808 18.7109 8.40644 18.2229 35.637 19.3396 35.9558 -43.1745 TIMING: 3178800 CPU: 9497.72, 0.00301323/step Wall: 9497.72, 0.00301323/step, 1.52436 hours remaining, 205.429688 MB of memory in use. ENERGY: 3178800 739.4446 2031.7147 1966.4221 113.7276 -206559.2320 18045.6626 0.0000 0.0000 34237.2215 -149425.0389 299.0022 -183662.2604 -149324.8551 298.6653 -1.4909 29.7790 557458.4896 2.7015 2.5905 PRESSURE: 3179000 -99.9961 112.195 -84.5136 112.194 -239.132 -45.5476 -84.5134 -45.5486 -304.807 GPRESSURE: 3179000 -80.8946 98.5805 -69.1906 119.638 -158.337 -57.7799 -141.763 23.0212 -312.12 PRESSAVG: 3179000 16.0017 16.9754 47.3158 16.9754 26.9662 -45.0929 47.3159 -45.0928 -2.76148 GPRESSAVG: 3179000 15.3874 18.6288 46.7553 17.8369 26.842 -45.5401 47.3292 -44.7375 -2.1491 TIMING: 3179000 CPU: 9498.32, 0.00302223/step Wall: 9498.32, 0.00302223/step, 1.52875 hours remaining, 205.429688 MB of memory in use. ENERGY: 3179000 740.3787 2066.7472 1954.3008 121.8489 -206185.9165 17618.2317 0.0000 0.0000 34192.3915 -149492.0177 298.6107 -183684.4092 -149394.4834 298.8699 -214.6448 -183.7841 558645.6044 13.4021 13.3601 PRESSURE: 3179200 136.865 34.4727 91.8194 34.4726 -168.513 54.6137 91.819 54.6127 -180.12 GPRESSURE: 3179200 161.784 -13.9676 195.035 20.6109 -77.5346 55.6138 -19.0833 103.414 -180.249 PRESSAVG: 3179200 51.081 21.7967 71.6148 21.7968 -85.2628 18.0327 71.6149 18.0326 54.1534 GPRESSAVG: 3179200 52.2955 23.3474 73.9631 20.1771 -84.0743 16.3754 69.6596 20.018 51.976 TIMING: 3179200 CPU: 9498.93, 0.00302426/step Wall: 9498.93, 0.00302426/step, 1.52961 hours remaining, 205.429688 MB of memory in use. ENERGY: 3179200 722.0789 2082.4519 1958.9830 107.9019 -206255.0486 17730.9285 0.0000 0.0000 34231.8416 -149420.8629 298.9552 -183652.7045 -149332.0786 298.8134 -70.5895 -31.9999 558889.2953 6.6572 6.7324 PRESSURE: 3179400 -17.7945 -0.454051 -81.2376 -0.454211 -27.014 -111.669 -81.2372 -111.667 141.829 GPRESSURE: 3179400 -32.5131 -73.3299 -173.192 60.1295 60.8975 -61.231 -11.2585 -174.969 176.743 PRESSAVG: 3179400 -23.6048 -34.1937 -60.4802 -34.1937 16.3618 9.442 -60.4801 9.44197 20.5385 GPRESSAVG: 3179400 -23.8744 -34.2737 -62.1898 -36.2166 15.5018 11.4421 -58.8018 7.31017 21.8226 TIMING: 3179400 CPU: 9499.53, 0.00301509/step Wall: 9499.53, 0.00301509/step, 1.5248 hours remaining, 205.429688 MB of memory in use. ENERGY: 3179400 750.3513 2130.5233 1964.5303 99.0031 -206233.2770 17784.1529 0.0000 0.0000 34058.0970 -149446.6190 297.4378 -183504.7161 -149348.1009 299.0443 32.3401 68.3757 556015.3725 4.4318 4.4833 PRESSURE: 3179600 -145.791 -120.236 73.7826 -120.236 86.9245 -12.1475 73.7835 -12.1493 94.2524 GPRESSURE: 3179600 -91.8714 -71.4003 -21.1845 -84.6007 92.6665 -72.8718 120.242 2.40234 121.514 PRESSAVG: 3179600 -47.3464 9.59232 -45.6119 9.59238 85.0501 51.1555 -45.6118 51.1553 -21.0372 GPRESSAVG: 3179600 -48.8859 9.24088 -45.953 11.6057 85.3721 51.3769 -46.4608 51.5502 -20.3312 TIMING: 3179600 CPU: 9500.14, 0.00302513/step Wall: 9500.14, 0.00302513/step, 1.52971 hours remaining, 205.429688 MB of memory in use. ENERGY: 3179600 732.0913 2109.2993 1941.5708 100.4233 -206236.6948 17882.8621 0.0000 0.0000 34271.5977 -149198.8502 299.3024 -183470.4479 -149099.8037 299.2277 11.7954 40.7696 557009.4799 5.5555 5.3850 PRESSURE: 3179800 -218.986 3.48968 42.5705 3.49033 -246.473 131.148 42.5694 131.148 -152.557 GPRESSURE: 3179800 -173.439 77.264 14.7966 -5.02454 -169.293 62.7731 38.3561 149.385 -175.518 PRESSAVG: 3179800 -71.9599 -29.0067 -22.933 -29.0067 -5.81752 46.8775 -22.9329 46.8774 62.5357 GPRESSAVG: 3179800 -70.7597 -28.582 -23.3714 -31.3351 -6.36006 45.911 -23.2452 45.442 61.9637 TIMING: 3179800 CPU: 9500.74, 0.00303391/step Wall: 9500.74, 0.00303391/step, 1.53398 hours remaining, 205.429688 MB of memory in use. ENERGY: 3179800 773.3229 2063.3518 1941.6625 104.1526 -205998.7187 17521.1398 0.0000 0.0000 34271.4575 -149323.6316 299.3012 -183595.0891 -149224.9389 298.5106 -206.0053 -172.7500 556974.5430 -5.0806 -5.0520 PRESSURE: 3180000 -2.14964 -152.268 -164.015 -152.27 -7.21679 17.2337 -164.015 17.2355 25.7176 GPRESSURE: 3180000 59.067 -115.747 -189.511 -137.155 10.3601 105.982 -120.262 -40.2022 58.267 PRESSAVG: 3180000 50.6576 -13.4794 -52.3058 -13.4794 2.73137 29.1804 -52.3059 29.1804 -33.4776 GPRESSAVG: 3180000 50.5577 -13.6737 -51.0858 -11.7719 4.78699 27.9786 -52.8847 31.5197 -34.7691 TIMING: 3180000 CPU: 9501.35, 0.00302634/step Wall: 9501.35, 0.00302634/step, 1.52998 hours remaining, 205.429688 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: 3180000 745.8616 2131.9620 1957.8243 120.1869 -206518.8781 17944.8751 0.0000 0.0000 34213.6178 -149404.5504 298.7960 -183618.1682 -149311.1842 298.8221 5.4504 42.5647 557311.3979 6.6371 6.8585 PRESSURE: 3180200 227.975 71.58 -113.976 71.5798 181.841 82.0751 -113.975 82.0762 51.0279 GPRESSURE: 3180200 289.832 24.7205 -43.0798 123.443 153.286 99.647 -199.719 93.4 115.755 PRESSAVG: 3180200 62.3324 0.547839 -33.398 0.547935 2.78715 68.6468 -33.3981 68.6467 -15.7902 GPRESSAVG: 3180200 61.7093 -0.899728 -35.3347 0.0866183 1.37696 69.3098 -32.2174 67.4677 -13.8347 TIMING: 3180200 CPU: 9501.96, 0.00304187/step Wall: 9501.96, 0.00304187/step, 1.53766 hours remaining, 205.429688 MB of memory in use. ENERGY: 3180200 723.6610 2094.7487 1945.4788 118.3574 -206985.7023 18226.4663 0.0000 0.0000 34316.2323 -149560.7577 299.6922 -183876.9900 -149467.7139 299.2190 153.6144 186.2911 555881.4188 16.4431 16.4172 LDB: ============= START OF LOAD BALANCING ============== 9505.39 LDB: ============== END OF LOAD BALANCING =============== 9505.39 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9505.39 LDB: ============= START OF LOAD BALANCING ============== 9505.69 LDB: Largest compute 4819 load 0.028019 is 23.7% of average load 0.118048 LDB: Average compute 0.001746 is 1.5% of average load 0.118048 LDB: TIME 9505.7 LOAD: AVG 0.118048 MAX 0.205889 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 9505.7 LOAD: AVG 0.118048 MAX 0.205889 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 9505.7 LOAD: AVG 0.118048 MAX 0.205889 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9505.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9505.7 PRESSURE: 3180400 11.2912 7.04028 -31.4304 7.03915 -133.348 17.656 -31.4315 17.6556 -57.452 GPRESSURE: 3180400 36.7895 -42.7596 75.17 50.0028 -123.059 60.4999 -17.7572 -15.7947 -3.08229 PRESSAVG: 3180400 18.6687 16.5375 16.3571 16.5375 70.4086 65.4463 16.3571 65.4465 -80.495 GPRESSAVG: 3180400 19.5635 17.7542 18.3454 16.8969 69.8798 65.1142 16.2036 65.5233 -81.4045 TIMING: 3180400 CPU: 9502.57, 0.00307385/step Wall: 9502.57, 0.00307385/step, 1.55366 hours remaining, 207.484375 MB of memory in use. ENERGY: 3180400 737.7912 2047.2671 1940.3467 115.0385 -205975.0907 17691.9770 0.0000 0.0000 33997.3894 -149445.2808 296.9077 -183442.6702 -149343.5212 298.6886 -59.8364 -29.7839 556917.3872 2.8608 2.6796 PRESSURE: 3180600 -190.262 -41.5482 -114.669 -41.5478 -298.357 72.5448 -114.669 72.546 -337.695 GPRESSURE: 3180600 -117.669 -19.5255 -106.851 -78.4884 -300.524 90.2162 -127.019 11.2644 -303.221 PRESSAVG: 3180600 25.883 -59.7167 -10.5764 -59.7167 3.52439 -6.39216 -10.5764 -6.39213 -57.633 GPRESSAVG: 3180600 26.2802 -60.7689 -12.6509 -57.9989 3.84412 -4.85274 -9.91174 -6.8181 -58.4688 TIMING: 3180600 CPU: 9503.17, 0.00297089/step Wall: 9503.17, 0.00297089/step, 1.50145 hours remaining, 207.484375 MB of memory in use. ENERGY: 3180600 795.0943 2083.3854 1949.9227 120.6151 -206057.9495 17656.6143 0.0000 0.0000 34090.6611 -149361.6566 297.7222 -183452.3177 -149268.7351 298.3480 -275.4381 -240.4711 558914.0686 -9.4086 -9.4482 PRESSURE: 3180800 -81.1646 -95.9652 139.901 -95.9662 -103.572 -28.7692 139.9 -28.7702 -160.37 GPRESSURE: 3180800 -56.1037 -116.77 77.2862 40.45 -35.032 -49.686 94.4787 24.3629 -140.84 PRESSAVG: 3180800 -21.5453 -30.5823 11.5622 -30.5824 -11.4605 51.2428 11.5622 51.2428 1.44201 GPRESSAVG: 3180800 -21.9778 -28.6447 11.2722 -32.2203 -10.4496 48.677 11.4181 52.6546 0.82726 TIMING: 3180800 CPU: 9503.77, 0.00299684/step Wall: 9503.77, 0.00299684/step, 1.5144 hours remaining, 207.484375 MB of memory in use. ENERGY: 3180800 741.1782 2071.4848 1937.1888 110.2955 -206193.9417 17714.0887 0.0000 0.0000 34252.1010 -149367.6048 299.1321 -183619.7058 -149273.7176 298.6523 -115.0353 -77.3251 556825.8188 -10.5213 -10.5334 PRESSURE: 3181000 95.9063 58.868 96.1677 58.8705 -93.8829 31.2957 96.1689 31.2944 -113.45 GPRESSURE: 3181000 115.841 155.988 82.0022 5.34659 -96.873 38.8705 56.3328 14.2731 -36.7093 PRESSAVG: 3181000 -69.4367 -11.981 73.7537 -11.981 67.1912 7.78563 73.7537 7.78562 3.61064 GPRESSAVG: 3181000 -68.893 -12.1278 73.86 -14.6514 66.0406 8.21063 74.0657 7.53178 4.68288 TIMING: 3181000 CPU: 9504.36, 0.00298335/step Wall: 9504.36, 0.00298335/step, 1.50742 hours remaining, 207.484375 MB of memory in use. ENERGY: 3181000 745.9701 2049.0957 1967.8100 97.3240 -205822.6976 17591.0694 0.0000 0.0000 34130.1098 -149241.3185 298.0667 -183371.4284 -149145.1849 299.0601 -37.1422 -5.9138 558157.8957 0.4551 0.6101 PRESSURE: 3181200 55.421 -47.0919 138.497 -47.0909 164.237 -8.50128 138.498 -8.50033 92.1811 GPRESSURE: 3181200 87.8132 -100.37 136.644 -67.6607 195.264 -19.19 183.366 -32.4699 121.638 PRESSAVG: 3181200 -0.725141 30.8019 40.7695 30.8019 35.4107 -14.9172 40.7694 -14.9171 -0.0845983 GPRESSAVG: 3181200 -0.633396 31.3565 41.5889 30.9425 35.7022 -13.9205 41.1313 -13.9643 -0.637562 TIMING: 3181200 CPU: 9504.97, 0.0030312/step Wall: 9504.97, 0.0030312/step, 1.53143 hours remaining, 207.484375 MB of memory in use. ENERGY: 3181200 725.4424 2076.3089 1934.4215 109.8150 -206509.3410 18093.6303 0.0000 0.0000 34384.0976 -149185.6253 300.2849 -183569.7229 -149084.1866 299.7892 103.9463 134.9048 557596.7928 11.5337 11.4771 PRESSURE: 3181400 -278.595 -58.3368 88.2187 -58.3364 59.9851 56.4077 88.2176 56.4073 -226.82 GPRESSURE: 3181400 -223.235 -34.8399 82.5113 -42.4137 94.7273 56.5163 9.24673 49.2661 -222.14 PRESSAVG: 3181400 -30.7156 15.5026 36.4703 15.5025 -48.7733 -29.0487 36.4703 -29.0487 54.5007 GPRESSAVG: 3181400 -30.8672 14.044 38.0264 17.3881 -48.6958 -31.333 33.7135 -30.3503 54.3297 TIMING: 3181400 CPU: 9505.58, 0.00303911/step Wall: 9505.58, 0.00303911/step, 1.53526 hours remaining, 207.484375 MB of memory in use. ENERGY: 3181400 754.2862 2032.6438 1939.4617 110.8421 -205647.6629 17624.4268 0.0000 0.0000 34049.5703 -149136.4320 297.3634 -183186.0023 -149037.3818 299.5587 -148.4767 -116.8825 558566.7299 -8.3294 -8.4111 PRESSURE: 3181600 167.126 -142.351 43.2717 -142.351 -7.97818 -2.2802 43.271 -2.27975 -222.298 GPRESSURE: 3181600 183.802 -74.2843 42.1257 -187.687 18.9536 62.0518 56.3629 -87.1477 -176.223 PRESSAVG: 3181600 8.8378 -16.6358 51.9875 -16.6358 -45.8615 -7.33297 51.9875 -7.33297 13.487 GPRESSAVG: 3181600 9.1436 -14.4334 51.5866 -17.6118 -46.666 -6.18336 53.0402 -6.60009 13.552 TIMING: 3181600 CPU: 9506.18, 0.00301842/step Wall: 9506.18, 0.00301842/step, 1.52464 hours remaining, 207.484375 MB of memory in use. ENERGY: 3181600 741.2667 2080.7334 1919.4156 119.1793 -206048.0887 17769.2354 0.0000 0.0000 34307.8878 -149110.3705 299.6193 -183418.2583 -149007.8041 299.4077 -21.0498 8.8442 558325.5695 -7.8456 -7.9901 PRESSURE: 3181800 354.301 189.998 -56.3629 189.998 -34.6845 -18.3362 -56.3624 -18.336 -10.5584 GPRESSURE: 3181800 333.861 173.65 -118.946 185.277 69.7631 -52.4543 -24.8564 -6.30508 -10.7485 PRESSAVG: 3181800 53.698 -32.0507 30.6452 -32.0507 -83.0191 -2.63072 30.6452 -2.63085 -14.5242 GPRESSAVG: 3181800 52.9867 -34.0373 27.9309 -30.5738 -82.307 -2.09883 32.1916 -4.11706 -14.333 TIMING: 3181800 CPU: 9506.78, 0.00301329/step Wall: 9506.78, 0.00301329/step, 1.52188 hours remaining, 207.484375 MB of memory in use. ENERGY: 3181800 745.0245 2123.4535 1925.8170 126.1599 -205722.7492 17704.6114 0.0000 0.0000 34111.4402 -148986.2427 297.9037 -183097.6829 -148893.8096 299.9734 103.0195 130.9585 557520.1022 -14.6151 -14.5511 PRESSURE: 3182000 -39.9699 -95.5315 36.2855 -95.532 -162.791 168.299 36.2857 168.299 -267.045 GPRESSURE: 3182000 5.08543 -63.814 52.8781 -92.2962 -173.391 194.039 -6.75029 139.673 -192.074 PRESSAVG: 3182000 25.2776 -43.9836 37.5069 -43.9836 -78.5373 -29.2632 37.507 -29.2631 59.0859 GPRESSAVG: 3182000 25.0042 -43.606 40.5498 -44.3655 -78.5114 -29.8371 36.217 -27.1301 58.914 TIMING: 3182000 CPU: 9507.38, 0.00299302/step Wall: 9507.38, 0.00299302/step, 1.51147 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: 3182000 798.6231 2092.8413 1947.0776 109.5411 -206168.1474 17848.5873 0.0000 0.0000 34288.8626 -149082.6144 299.4532 -183371.4770 -148986.1258 299.8294 -156.6020 -120.1264 557777.8910 1.9421 1.8023 PRESSURE: 3182200 22.9795 -72.3224 184.402 -72.3228 62.5332 137.354 184.403 137.357 18.7331 GPRESSURE: 3182200 69.0252 4.7059 229.445 -84.7564 108.854 166.217 140.308 123.43 20.7781 PRESSAVG: 3182200 55.6839 -26.9787 39.6362 -26.9786 -49.647 -17.1798 39.6362 -17.1798 14.3299 GPRESSAVG: 3182200 55.6683 -25.9655 39.0597 -28.3571 -49.7409 -16.9333 39.8896 -19.9048 14.7233 TIMING: 3182200 CPU: 9507.98, 0.00300234/step Wall: 9507.98, 0.00300234/step, 1.51601 hours remaining, 207.484375 MB of memory in use. ENERGY: 3182200 733.3773 2116.8553 1947.6847 113.3415 -206307.3695 17885.1924 0.0000 0.0000 34334.2041 -149176.7143 299.8491 -183510.9183 -149076.5243 298.8303 34.7486 66.2191 556955.7058 6.7889 6.8835 PRESSURE: 3182400 70.1402 -58.1073 2.42317 -58.1062 158.944 -214.003 2.42389 -214.004 -190.492 GPRESSURE: 3182400 125.098 13.4642 -64.3817 -107.016 193.168 -107.989 29.0599 -139.321 -179.171 PRESSAVG: 3182400 44.2796 -31.3427 17.6138 -31.3427 -55.3332 4.10129 17.6138 4.10127 15.2951 GPRESSAVG: 3182400 43.8468 -29.8605 17.7768 -30.8616 -54.4923 3.37854 17.2138 6.54153 15.3687 TIMING: 3182400 CPU: 9508.59, 0.00302759/step Wall: 9508.59, 0.00302759/step, 1.52859 hours remaining, 207.484375 MB of memory in use. ENERGY: 3182400 755.1571 2116.6780 1916.2488 104.5336 -206281.3775 17805.1225 0.0000 0.0000 34337.3377 -149246.2998 299.8765 -183583.6375 -149148.7603 299.4753 12.8642 46.3652 557603.3734 1.4138 1.5744 PRESSURE: 3182600 -17.1818 -183.282 -107.433 -183.283 161.015 -137.783 -107.434 -137.785 58.5188 GPRESSURE: 3182600 61.1448 -184.978 -22.5704 -206.049 105.276 -73.4168 -155.44 -89.7398 137.533 PRESSAVG: 3182600 104.281 -37.6047 -29.515 -37.6047 18.5886 -23.0366 -29.5151 -23.0367 -39.5793 GPRESSAVG: 3182600 105.749 -40.5218 -29.4848 -37.898 17.4293 -21.7099 -29.4637 -22.7164 -39.7795 TIMING: 3182600 CPU: 9509.19, 0.00300126/step Wall: 9509.19, 0.00300126/step, 1.51513 hours remaining, 207.484375 MB of memory in use. ENERGY: 3182600 758.2714 2149.4869 1924.3289 115.4861 -206012.2684 17687.1382 0.0000 0.0000 34336.1450 -149041.4118 299.8661 -183377.5569 -148943.5315 299.8977 67.4508 101.3180 556247.5261 27.7635 27.7995 PRESSURE: 3182800 12.5619 -23.6067 -66.4587 -23.6068 -99.4189 84.386 -66.4605 84.3865 48.0922 GPRESSURE: 3182800 -52.601 -66.974 -21.9106 85.863 25.2654 79.8321 -156.669 24.7373 84.756 PRESSAVG: 3182800 32.1673 3.08374 -25.0522 3.0837 -35.7889 -0.388786 -25.0522 -0.388803 -8.59565 GPRESSAVG: 3182800 31.2907 3.06921 -27.0465 5.13149 -34.0923 -1.26626 -24.3925 -0.726403 -9.61318 TIMING: 3182800 CPU: 9509.79, 0.00299763/step Wall: 9509.79, 0.00299763/step, 1.51314 hours remaining, 207.484375 MB of memory in use. ENERGY: 3182800 770.9656 2070.1211 1959.7129 103.9414 -206331.4155 17972.5047 0.0000 0.0000 34440.8260 -149013.3439 300.7803 -183454.1699 -148913.4044 300.1721 -12.9216 19.1402 557335.4568 -4.0724 -4.1383 PRESSURE: 3183000 -49.3583 184.486 -132.52 184.486 58.1604 146.972 -132.521 146.974 70.8724 GPRESSURE: 3183000 36.5762 191.494 -92.4458 219.469 27.3728 97.5103 -182.49 144.286 113.684 PRESSAVG: 3183000 -59.6751 -12.0469 -3.72731 -12.0469 49.1393 20.1524 -3.72726 20.1524 7.1411 GPRESSAVG: 3183000 -59.7691 -12.0563 -1.81233 -13.771 48.7821 18.1198 -5.36959 21.0393 7.0882 TIMING: 3183000 CPU: 9510.39, 0.0030001/step Wall: 9510.39, 0.0030001/step, 1.51422 hours remaining, 207.484375 MB of memory in use. ENERGY: 3183000 714.7689 2136.5736 1931.9213 119.5334 -205966.1813 17768.7777 0.0000 0.0000 34358.7989 -148935.8075 300.0639 -183294.6063 -148840.5700 300.0998 26.5582 59.2110 557182.1101 -1.1316 -1.2996 PRESSURE: 3183200 213.911 1.93538 -49.8477 1.93498 -49.2971 80.3409 -49.8483 80.3403 -53.7525 GPRESSURE: 3183200 272.887 5.97673 -59.4751 29.8772 -24.751 39.1214 -67.822 46.7793 -33.0225 PRESSAVG: 3183200 23.3753 15.7115 -32.0889 15.7115 22.0871 21.7617 -32.0889 21.7616 -33.3429 GPRESSAVG: 3183200 23.3041 16.2099 -32.0853 14.8292 21.9804 24.6279 -31.5514 21.2415 -33.3407 TIMING: 3183200 CPU: 9510.99, 0.00302663/step Wall: 9510.99, 0.00302663/step, 1.52744 hours remaining, 207.484375 MB of memory in use. ENERGY: 3183200 736.6988 2094.7238 1959.3546 113.8655 -206260.4142 17977.2461 0.0000 0.0000 34435.2503 -148943.2752 300.7316 -183378.5255 -148847.5088 299.7894 36.9538 71.7045 558716.8401 4.0398 3.9813 PRESSURE: 3183400 269.814 -79.8499 53.3601 -79.8498 53.2893 22.3809 53.3591 22.3828 91.6521 GPRESSURE: 3183400 270.7 -105.375 66.8642 -39.419 141.517 -24.9281 19.9653 87.1608 104.191 PRESSAVG: 3183400 -27.3652 -28.2475 51.7753 -28.2475 1.37058 18.2798 51.7754 18.2797 14.7277 GPRESSAVG: 3183400 -27.0113 -28.7246 51.1673 -26.0392 1.0486 18.7912 52.1503 16.1758 15.0434 TIMING: 3183400 CPU: 9511.6, 0.00302781/step Wall: 9511.6, 0.00302781/step, 1.52787 hours remaining, 207.484375 MB of memory in use. ENERGY: 3183400 748.1367 2116.9847 1939.6014 109.9183 -206500.2091 18141.3353 0.0000 0.0000 34376.2919 -149067.9408 300.2167 -183444.2328 -148969.4950 299.5972 138.2519 172.1359 558037.4297 -3.7557 -3.6398 PRESSURE: 3183600 330.58 -1.79245 -62.2673 -1.79308 142.652 -45.3964 -62.2668 -45.3963 419.758 GPRESSURE: 3183600 374.452 132.652 -51.6833 -20.8603 184.71 -40.136 5.14818 -104.281 430.892 PRESSAVG: 3183600 8.95332 26.6407 31.6222 26.6407 -27.3534 47.905 31.6222 47.905 8.1453 GPRESSAVG: 3183600 8.64559 26.2349 31.7209 25.9736 -27.878 47.833 31.9432 47.6385 8.74668 TIMING: 3183600 CPU: 9512.2, 0.00300261/step Wall: 9512.2, 0.00300261/step, 1.51498 hours remaining, 207.484375 MB of memory in use. ENERGY: 3183600 749.2353 2151.5719 1947.4966 121.7838 -206459.8797 18214.4176 0.0000 0.0000 34120.4075 -149154.9670 297.9820 -183275.3744 -149057.0709 299.9106 297.6632 330.0179 557266.4485 -3.4183 -3.4952 PRESSURE: 3183800 200.037 -68.5215 72.218 -68.52 -161.34 -19.515 72.2168 -19.5146 91.8961 GPRESSURE: 3183800 196.076 -164.344 101.687 -74.815 -98.7537 22.9893 64.6735 -80.887 127.8 PRESSAVG: 3183800 19.5561 23.5896 -28.4835 23.5896 -20.1793 30.1069 -28.4835 30.1069 48.8676 GPRESSAVG: 3183800 20.2457 23.7669 -28.5229 23.8702 -20.1155 28.2467 -29.7481 32.2106 48.7865 TIMING: 3183800 CPU: 9512.8, 0.00301715/step Wall: 9512.8, 0.00301715/step, 1.52215 hours remaining, 207.484375 MB of memory in use. ENERGY: 3183800 756.0632 2021.0363 1958.9411 125.8639 -206502.4213 17939.9280 0.0000 0.0000 34305.4630 -149395.1257 299.5981 -183700.5887 -149299.8834 299.0244 43.5309 75.0406 556508.3887 16.0814 16.3056 PRESSURE: 3184000 -329.733 133.521 19.4607 133.521 -98.662 -109.008 19.462 -109.009 213.687 GPRESSURE: 3184000 -309.271 130.352 -48.7178 83.7355 -57.5964 -11.1894 82.3853 -84.7242 264.388 PRESSAVG: 3184000 -44.145 42.1743 -39.4614 42.1743 -38.0081 2.5609 -39.4615 2.56084 55.6951 GPRESSAVG: 3184000 -45.2566 43.962 -40.6233 39.8365 -38.5711 3.53828 -38.6722 3.72583 56.9591 TIMING: 3184000 CPU: 9513.4, 0.00301249/step Wall: 9513.4, 0.00301249/step, 1.51964 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: 3184000 724.2379 2125.3750 1955.0643 112.8860 -206142.7873 17693.8998 0.0000 0.0000 34066.7563 -149464.5680 297.5135 -183531.3242 -149377.7847 298.1047 -71.5694 -34.1597 556832.0314 -8.8193 -8.9562 PRESSURE: 3184200 16.2216 -11.9444 56.4988 -11.9449 -64.0306 -11.9792 56.4983 -11.979 -143.507 GPRESSURE: 3184200 41.7007 -4.92745 38.5896 3.13977 -12.2645 -93.4412 76.6534 -30.1646 -115.783 PRESSAVG: 3184200 12.6523 53.4368 -21.8285 53.4369 25.3328 67.3128 -21.8286 67.3129 1.41882 GPRESSAVG: 3184200 14.1578 52.0656 -22.7968 55.2592 24.85 66.9567 -19.143 64.9326 0.478576 TIMING: 3184200 CPU: 9514.01, 0.00302997/step Wall: 9514.01, 0.00302997/step, 1.52828 hours remaining, 207.484375 MB of memory in use. ENERGY: 3184200 784.4932 2104.9914 1936.4019 104.2789 -206625.2037 17861.6938 0.0000 0.0000 34295.6858 -149537.6587 299.5128 -183833.3445 -149447.8843 298.8111 -63.7720 -28.7822 557855.7468 13.1346 13.1621 LDB: ============= START OF LOAD BALANCING ============== 9517.45 LDB: ============== END OF LOAD BALANCING =============== 9517.45 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9517.45 LDB: ============= START OF LOAD BALANCING ============== 9517.76 LDB: Largest compute 4819 load 0.028665 is 24.3% of average load 0.117997 LDB: Average compute 0.001743 is 1.5% of average load 0.117997 LDB: TIME 9517.76 LOAD: AVG 0.117997 MAX 0.211389 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 9517.76 LOAD: AVG 0.117997 MAX 0.211389 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: TIME 9517.76 LOAD: AVG 0.117997 MAX 0.211389 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9517.76 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9517.77 PRESSURE: 3184400 -95.893 -8.51881 2.1275 -8.51894 57.3774 -97.4006 2.12905 -97.4001 -289.18 GPRESSURE: 3184400 17.998 25.9258 34.5969 55.9585 24.7976 -26.6813 102.763 -117.654 -286.268 PRESSAVG: 3184400 55.3888 -21.7012 65.1563 -21.7012 -47.8376 68.3967 65.1564 68.3967 -13.368 GPRESSAVG: 3184400 54.1205 -20.0121 67.285 -22.2989 -47.4548 70.4475 61.9458 67.141 -12.7875 TIMING: 3184400 CPU: 9514.64, 0.00312664/step Wall: 9514.64, 0.00312664/step, 1.57687 hours remaining, 207.738281 MB of memory in use. ENERGY: 3184400 737.6416 2096.4632 1948.0740 112.9847 -206236.1537 17736.1760 0.0000 0.0000 34146.3181 -149458.4961 298.2083 -183604.8142 -149365.6327 299.0586 -109.2318 -81.1574 557605.0985 -1.9389 -2.0406 PRESSURE: 3184600 -39.0981 5.78284 142.422 5.78269 -206.221 -0.456788 142.422 -0.458714 -312.918 GPRESSURE: 3184600 -11.9461 24.8127 219.7 39.6758 -192.381 -64.6846 138.193 -78.7165 -258.862 PRESSAVG: 3184600 68.0028 39.4331 50.3574 39.4331 -9.88095 -10.6452 50.3573 -10.6452 -89.5511 GPRESSAVG: 3184600 68.2869 39.3493 49.2529 39.9164 -8.99151 -10.5584 52.1724 -9.44068 -90.772 TIMING: 3184600 CPU: 9515.25, 0.00304619/step Wall: 9515.25, 0.00304619/step, 1.53612 hours remaining, 207.808594 MB of memory in use. ENERGY: 3184600 764.3259 2085.8434 1934.4621 95.7515 -206418.3349 17857.4756 0.0000 0.0000 34190.2037 -149490.2728 298.5916 -183680.4764 -149397.5469 299.1048 -186.0789 -154.3966 558959.3632 -10.4764 -10.4922 PRESSURE: 3184800 -131.88 -85.4867 -8.63391 -85.4878 -285.848 -12.0053 -8.63336 -12.004 80.5371 GPRESSURE: 3184800 -35.0254 -101.517 39.0139 -115.279 -254.613 11.34 -0.774474 61.7825 56.0843 PRESSAVG: 3184800 65.6216 41.8125 27.7864 41.8124 -59.8079 -29.9572 27.7865 -29.9572 16.2907 GPRESSAVG: 3184800 66.0718 41.2977 28.6597 41.912 -59.6401 -29.7528 25.8607 -29.2995 16.5775 TIMING: 3184800 CPU: 9515.85, 0.00304304/step Wall: 9515.85, 0.00304304/step, 1.53437 hours remaining, 207.808594 MB of memory in use. ENERGY: 3184800 753.3534 2060.9529 1952.4336 104.5506 -205968.0014 17623.0339 0.0000 0.0000 34120.2421 -149353.4349 297.9806 -183473.6770 -149251.0209 299.0559 -112.3968 -77.8514 558029.1461 7.3681 7.6697 PRESSURE: 3185000 -61.7357 -31.8417 94.6984 -31.8403 -245.077 -82.4698 94.6994 -82.4688 -301.896 GPRESSURE: 3185000 -40.1281 -78.0403 80.213 62.4771 -143.888 -138.884 39.067 -26.8929 -318.211 PRESSAVG: 3185000 57.0396 22.625 20.4085 22.625 30.9957 31.0452 20.4085 31.045 -69.5609 GPRESSAVG: 3185000 57.3514 22.529 18.6397 23.5498 31.6165 30.7001 21.7272 30.327 -70.0651 TIMING: 3185000 CPU: 9516.46, 0.00300868/step Wall: 9516.46, 0.00300868/step, 1.51687 hours remaining, 207.808594 MB of memory in use. ENERGY: 3185000 687.8133 2087.7469 1929.2619 112.7762 -205564.1719 17328.7893 0.0000 0.0000 34074.0669 -149343.7176 297.5773 -183417.7844 -149241.4819 298.5506 -202.9026 -167.4090 557558.5702 6.1581 6.3009 PRESSURE: 3185200 -115.081 -57.7835 -108.315 -57.7832 149.782 14.1017 -108.315 14.1012 -145.243 GPRESSURE: 3185200 -53.7632 -61.6463 -126.318 -135.861 146.659 74.0005 -127.717 -72.798 -107.224 PRESSAVG: 3185200 1.66119 -1.81601 -5.55761 -1.81609 -30.6197 8.49552 -5.55762 8.49562 30.4014 GPRESSAVG: 3185200 2.00964 -2.07221 -3.50911 -4.42052 -31.4817 10.4138 -7.65839 5.44074 30.5819 TIMING: 3185200 CPU: 9517.06, 0.00302095/step Wall: 9517.06, 0.00302095/step, 1.52289 hours remaining, 207.808594 MB of memory in use. ENERGY: 3185200 748.4076 2102.7572 1950.2497 105.3376 -206083.3619 17683.5520 0.0000 0.0000 34064.4266 -149428.6312 297.4931 -183493.0579 -149334.8578 298.5979 -36.8475 -4.7762 556495.3485 0.4810 0.3699 PRESSURE: 3185400 -154.13 -117.528 26.7395 -117.528 -336.44 -81.6413 26.7404 -81.642 160.423 GPRESSURE: 3185400 -136.645 -84.3056 -0.14587 -125.337 -287.243 -49.2177 -12.8943 -100.279 209.299 PRESSAVG: 3185400 -3.10062 -15.7356 13.4476 -15.7356 -24.7374 2.43767 13.4476 2.43764 38.575 GPRESSAVG: 3185400 -3.93476 -17.7995 13.6693 -12.8337 -24.2517 -0.0803388 14.7629 7.03235 38.7302 TIMING: 3185400 CPU: 9517.66, 0.00302156/step Wall: 9517.66, 0.00302156/step, 1.52304 hours remaining, 207.808594 MB of memory in use. ENERGY: 3185400 752.0345 2062.5051 1930.3271 109.8452 -206089.6110 17733.8167 0.0000 0.0000 34163.6333 -149337.4491 298.3595 -183501.0824 -149241.7466 298.5247 -110.0488 -71.5300 558302.6510 3.5790 3.5146 PRESSURE: 3185600 9.93333 129.518 -74.4228 129.517 -125.973 110.056 -74.422 110.057 -67.6624 GPRESSURE: 3185600 -29.529 55.466 -7.36352 135.219 -54.9841 175.154 -154.227 102.527 5.06149 PRESSAVG: 3185600 -57.8237 47.4964 -54.2933 47.4965 -19.5064 4.37727 -54.2933 4.37722 51.8696 GPRESSAVG: 3185600 -57.6017 49.4746 -53.323 45.2815 -19.5765 5.96058 -53.8029 1.76892 51.155 TIMING: 3185600 CPU: 9518.27, 0.00300748/step Wall: 9518.27, 0.00300748/step, 1.51577 hours remaining, 207.808594 MB of memory in use. ENERGY: 3185600 716.9733 2035.4644 1949.7060 119.1593 -205903.6252 17622.5189 0.0000 0.0000 34071.6196 -149388.1837 297.5559 -183459.8033 -149291.6402 298.9926 -61.2339 -26.4839 556453.6671 -8.4868 -8.6744 PRESSURE: 3185800 97.6172 83.1028 -61.1893 83.1034 135.331 -110.43 -61.1906 -110.429 -102.653 GPRESSURE: 3185800 159.363 35.857 -128.231 128.035 147.911 -125.79 -111.31 -56.9708 -73.7237 PRESSAVG: 3185800 58.4668 58.1067 -55.3689 58.1066 -41.4739 48.3749 -55.369 48.3749 22.0155 GPRESSAVG: 3185800 57.883 57.8102 -55.69 60.3662 -42.1609 49.0185 -56.0643 50.2838 23.3016 TIMING: 3185800 CPU: 9518.87, 0.00301863/step Wall: 9518.87, 0.00301863/step, 1.52122 hours remaining, 207.808594 MB of memory in use. ENERGY: 3185800 765.7838 2053.8670 1949.1499 114.8159 -206352.3532 17882.3729 0.0000 0.0000 34125.2181 -149461.1457 298.0240 -183586.3638 -149362.3043 297.9383 43.4317 77.8504 556064.9693 13.0028 13.0079 PRESSURE: 3186000 68.519 50.4958 5.09505 50.4955 -217.474 -25.9765 5.09648 -25.9754 134.229 GPRESSURE: 3186000 50.0314 -5.69422 27.1249 88.6757 -121.793 -78.0537 -56.3503 -38.8518 164.395 PRESSAVG: 3186000 7.2908 30.5413 -53.4196 30.5413 -8.44027 -19.236 -53.4196 -19.2359 -6.33336 GPRESSAVG: 3186000 7.54421 29.2627 -55.2061 29.1584 -8.50958 -23.0043 -53.4213 -17.4016 -6.87345 TIMING: 3186000 CPU: 9519.47, 0.00298098/step Wall: 9519.47, 0.00298098/step, 1.50208 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: 3186000 737.7418 2026.8399 1946.7098 117.2469 -206671.6075 17906.7898 0.0000 0.0000 34350.5784 -149585.7010 299.9921 -183936.2794 -149490.0514 297.9536 -4.9086 30.8779 555902.4379 -2.4943 -2.6129 PRESSURE: 3186200 -121.326 -63.2331 -19.1015 -63.2336 -19.2317 -66.3175 -19.1028 -66.3182 80.1067 GPRESSURE: 3186200 -109.652 -24.3908 5.24571 -65.4913 30.7428 -27.3839 -75.3802 -26.4714 112.224 PRESSAVG: 3186200 67.4692 -31.0417 -82.5673 -31.0417 14.0144 -16.4098 -82.5673 -16.4099 -27.5023 GPRESSAVG: 3186200 68.0683 -29.1529 -82.9173 -32.0921 13.8521 -13.8965 -81.0929 -17.5952 -28.0406 TIMING: 3186200 CPU: 9520.07, 0.00300947/step Wall: 9520.07, 0.00300947/step, 1.51627 hours remaining, 207.808594 MB of memory in use. ENERGY: 3186200 703.9425 2032.8612 1930.6442 99.2360 -206279.8879 17751.9964 0.0000 0.0000 34058.8839 -149702.3238 297.4447 -183761.2076 -149607.2132 297.4383 -20.1503 11.1050 557151.6731 17.9938 17.9599 PRESSURE: 3186400 20.9264 67.7945 -77.9076 67.7942 -489.227 90.454 -77.908 90.4542 -211.372 GPRESSURE: 3186400 33.0525 84.8857 -60.8965 140.657 -473.497 73.9073 -151.062 60.0328 -155.026 PRESSAVG: 3186400 -20.1519 -0.368544 16.3225 -0.36855 -64.5684 -14.2442 16.3225 -14.2441 55.657 GPRESSAVG: 3186400 -20.6172 -2.30196 17.4942 0.515288 -65.0268 -12.3987 15.6573 -16.5061 56.1031 TIMING: 3186400 CPU: 9520.66, 0.00298235/step Wall: 9520.66, 0.00298235/step, 1.50244 hours remaining, 207.808594 MB of memory in use. ENERGY: 3186400 749.2173 2097.2352 1892.5713 110.1896 -206092.0052 17454.3543 0.0000 0.0000 34097.6078 -149690.8297 297.7829 -183788.4374 -149594.6181 297.6840 -226.5574 -198.4902 556955.0100 -9.6878 -9.8470 PRESSURE: 3186600 152.803 17.6723 -74.4035 17.673 -74.0866 120.462 -74.4029 120.462 13.9218 GPRESSURE: 3186600 171.918 38.1594 -69.5223 -22.4505 -18.186 5.9859 -92.1274 168.093 43.7876 PRESSAVG: 3186600 -23.1928 -15.9151 -31.5501 -15.9151 24.9521 -5.92766 -31.5502 -5.92769 -11.7499 GPRESSAVG: 3186600 -22.1871 -14.6225 -32.7114 -14.964 24.7752 -6.46663 -32.2616 -3.4702 -11.6081 TIMING: 3186600 CPU: 9521.26, 0.00300354/step Wall: 9521.26, 0.00300354/step, 1.51295 hours remaining, 207.808594 MB of memory in use. ENERGY: 3186600 755.5005 2027.5109 1950.2194 98.1115 -206773.0107 18024.4894 0.0000 0.0000 34164.5388 -149752.6401 298.3674 -183917.1789 -149659.0898 297.8131 30.8795 65.8400 556943.7807 -3.3302 -3.0067 PRESSURE: 3186800 125.812 92.1631 -44.983 92.1625 89.3395 -72.1153 -44.9833 -72.1146 55.1718 GPRESSURE: 3186800 196.15 57.0604 -69.3916 50.2017 103.238 33.9386 22.4163 -48.1479 63.8891 PRESSAVG: 3186800 53.7018 -24.0934 -0.774977 -24.0934 -20.1951 49.6063 -0.774808 49.6061 -37.6201 GPRESSAVG: 3186800 53.3879 -25.3768 -0.369074 -24.4734 -19.2133 47.131 -0.68582 51.5478 -38.3466 TIMING: 3186800 CPU: 9521.87, 0.00300208/step Wall: 9521.87, 0.00300208/step, 1.51205 hours remaining, 207.808594 MB of memory in use. ENERGY: 3186800 736.5680 2101.6010 1931.4708 116.4015 -206284.2343 17813.9436 0.0000 0.0000 34080.0276 -149504.2218 297.6294 -183584.2494 -149412.0816 298.5397 90.1077 121.0924 556059.3476 -1.3711 -1.3907 PRESSURE: 3187000 228.034 119.753 -141.38 119.751 221.222 -125.255 -141.38 -125.255 29.2231 GPRESSURE: 3187000 249.747 1.76279 -103.517 216.26 242.97 -39.4404 -96.0617 -155.112 92.4911 PRESSAVG: 3187000 82.2722 -1.99635 9.65172 -1.99636 -0.41599 16.6403 9.65168 16.6404 -71.4864 GPRESSAVG: 3187000 82.1166 -0.888391 10.5333 -3.04937 -0.0739892 20.3711 8.59188 12.681 -71.4861 TIMING: 3187000 CPU: 9522.47, 0.00302797/step Wall: 9522.47, 0.00302797/step, 1.52492 hours remaining, 207.808594 MB of memory in use. ENERGY: 3187000 705.7113 2102.1996 1982.6365 118.4299 -206580.5148 18157.1117 0.0000 0.0000 34093.9576 -149420.4682 297.7510 -183514.4258 -149321.5611 298.7671 159.4931 195.0694 556030.6492 3.4566 3.5188 PRESSURE: 3187200 -218.278 -10.3866 -3.8629 -10.3872 -317.471 -111.398 -3.86344 -111.398 -136.577 GPRESSURE: 3187200 -166.771 43.3025 -26.6315 -11.877 -340.875 -140.261 28.3238 -76.8178 -76.3403 PRESSAVG: 3187200 84.9853 54.6754 -70.3016 54.6753 14.3969 36.7825 -70.3016 36.7824 -59.1648 GPRESSAVG: 3187200 85.0354 53.5276 -71.7384 54.6372 15.1133 35.0855 -67.2783 37.7898 -59.8486 TIMING: 3187200 CPU: 9523.08, 0.00302243/step Wall: 9523.08, 0.00302243/step, 1.52196 hours remaining, 207.808594 MB of memory in use. ENERGY: 3187200 752.8289 2094.5178 1929.7826 114.7934 -206120.9778 17637.9984 0.0000 0.0000 34328.0488 -149263.0078 299.7954 -183591.0566 -149168.8273 299.1950 -224.1087 -194.6622 558305.1187 13.4058 13.4333 PRESSURE: 3187400 210.79 -86.0321 49.2358 -86.0316 145.234 -6.7225 49.2361 -6.72152 58.667 GPRESSURE: 3187400 210.049 -114.775 50.2224 -41.9938 168.304 17.4579 73.1176 -6.53611 144.194 PRESSAVG: 3187400 -59.1861 35.6349 27.9635 35.635 24.546 -2.77106 27.9633 -2.77109 22.4138 GPRESSAVG: 3187400 -58.5405 33.3832 31.8695 39.4831 23.297 -1.68588 24.2334 -4.35773 22.7977 TIMING: 3187400 CPU: 9523.68, 0.00303192/step Wall: 9523.68, 0.00303192/step, 1.52657 hours remaining, 207.808594 MB of memory in use. ENERGY: 3187400 723.1113 2032.3100 1972.3980 113.6565 -206321.5494 17933.7494 0.0000 0.0000 34252.3905 -149293.9336 299.1346 -183546.3241 -149200.7224 299.0689 138.2304 174.1824 557646.7877 -4.0754 -4.1486 PRESSURE: 3187600 -26.7644 -52.8245 -57.9476 -52.8245 77.5377 111.303 -57.9472 111.305 -39.646 GPRESSURE: 3187600 -28.8632 -18.1293 -78.1159 -41.7305 92.6727 124.89 -25.8128 142.44 48.751 PRESSAVG: 3187600 -23.8922 47.359 -10.214 47.359 61.4912 18.1599 -10.214 18.1599 -65.1551 GPRESSAVG: 3187600 -23.8921 49.0333 -14.2553 45.4269 60.4273 17.5546 -7.87494 18.8896 -64.3302 TIMING: 3187600 CPU: 9524.3, 0.00306871/step Wall: 9524.3, 0.00306871/step, 1.54492 hours remaining, 207.808594 MB of memory in use. ENERGY: 3187600 749.9173 2089.9940 1934.2690 120.6941 -206037.5273 17708.1036 0.0000 0.0000 34057.8510 -149376.6984 297.4357 -183434.5494 -149285.1061 298.7539 3.7091 37.5202 557967.3691 -9.1854 -9.2650 PRESSURE: 3187800 27.248 204.786 108.813 204.786 142.451 120.075 108.813 120.075 14.539 GPRESSURE: 3187800 37.0243 244.631 29.236 149.657 178.15 130.649 181.911 95.5714 63.9956 PRESSAVG: 3187800 1.95443 -2.89741 -15.3628 -2.89752 -5.81167 -43.9869 -15.3628 -43.987 -7.9976 GPRESSAVG: 3187800 2.17211 -1.43869 -12.5429 -2.71956 -4.84753 -44.3233 -16.8075 -44.5464 -9.11645 TIMING: 3187800 CPU: 9524.91, 0.00306517/step Wall: 9524.91, 0.00306517/step, 1.54297 hours remaining, 207.808594 MB of memory in use. ENERGY: 3187800 757.2088 2023.9894 1967.8921 121.3021 -206288.1537 17755.4340 0.0000 0.0000 34452.7545 -149209.5728 300.8845 -183662.3273 -149111.1417 299.3399 61.4126 93.0566 556658.8981 -3.9516 -3.9306 PRESSURE: 3188000 -244.401 -67.0746 -49.0945 -67.0757 61.7258 8.62568 -49.0934 8.62381 -274.3 GPRESSURE: 3188000 -172.749 -85.5101 39.1558 -35.3696 68.479 28.5447 -27.6042 50.6452 -251.683 PRESSAVG: 3188000 15.4127 -16.9507 -9.3876 -16.9508 -20.3241 79.1004 -9.38754 79.1004 5.09251 GPRESSAVG: 3188000 14.2877 -18.9441 -8.60936 -16.5961 -18.6802 79.6708 -10.7167 80.5336 4.95808 TIMING: 3188000 CPU: 9525.52, 0.00305211/step Wall: 9525.52, 0.00305211/step, 1.53623 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: 3188000 769.6468 2101.2888 1964.8778 124.2287 -205875.4296 17449.9174 0.0000 0.0000 34278.2189 -149187.2512 299.3602 -183465.4701 -149094.7760 299.9041 -152.3247 -118.6512 557433.8832 0.0604 0.1885 PRESSURE: 3188200 -33.2437 28.6931 -153.449 28.6942 172.061 -62.2524 -153.451 -62.252 -162.023 GPRESSURE: 3188200 -13.5162 64.5206 -247.016 43.828 220.978 -180.641 -197.611 -59.108 -123.866 PRESSAVG: 3188200 -12.8021 -24.4123 -30.1315 -24.4122 23.0675 -2.39009 -30.1315 -2.39015 -6.96181 GPRESSAVG: 3188200 -12.0604 -24.6899 -34.2505 -25.6213 21.6465 -1.095 -26.2444 -4.72257 -6.16742 TIMING: 3188200 CPU: 9526.13, 0.00304848/step Wall: 9526.13, 0.00304848/step, 1.53423 hours remaining, 207.808594 MB of memory in use. ENERGY: 3188200 784.7024 2089.2283 1940.4968 111.2256 -206058.4423 17873.5091 0.0000 0.0000 34087.1932 -149172.0869 297.6919 -183259.2801 -149065.2081 299.3394 -7.7351 27.8655 557439.7582 1.1012 1.1396 LDB: ============= START OF LOAD BALANCING ============== 9529.56 LDB: ============== END OF LOAD BALANCING =============== 9529.57 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9529.57 LDB: ============= START OF LOAD BALANCING ============== 9529.87 LDB: Largest compute 4819 load 0.029221 is 24.8% of average load 0.118023 LDB: Average compute 0.001747 is 1.5% of average load 0.118023 LDB: TIME 9529.87 LOAD: AVG 0.118023 MAX 0.209181 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.613 MB LDB: TIME 9529.87 LOAD: AVG 0.118023 MAX 0.209181 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.617 MB LDB: TIME 9529.87 LOAD: AVG 0.118023 MAX 0.209181 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.617 MB LDB: ============== END OF LOAD BALANCING =============== 9529.88 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9529.88 PRESSURE: 3188400 -16.9192 -67.3181 -20.3392 -67.3166 -111.523 -130.679 -20.3382 -130.679 159.174 GPRESSURE: 3188400 47.0954 -96.7717 14.183 -98.908 -126.773 -135.235 -76.8736 -119.458 214.422 PRESSAVG: 3188400 -25.7578 35.2916 -16.811 35.2916 49.2596 -30.4499 -16.811 -30.4498 -6.91619 GPRESSAVG: 3188400 -25.8165 38.711 -15.1026 34.7857 49.8697 -32.1692 -17.2814 -27.0209 -7.02236 TIMING: 3188400 CPU: 9526.75, 0.00311342/step Wall: 9526.75, 0.00311342/step, 1.56674 hours remaining, 206.199219 MB of memory in use. ENERGY: 3188400 758.1853 2110.3737 1924.4545 101.7265 -206254.7881 17759.6999 0.0000 0.0000 34336.9207 -149263.4274 299.8729 -183600.3482 -149162.8823 299.2961 10.2439 44.9149 558003.9280 5.5285 5.6769 PRESSURE: 3188600 105.766 -13.937 -122.753 -13.9356 20.9727 -1.04927 -122.753 -1.04864 -83.7517 GPRESSURE: 3188600 113.383 16.2124 -147.578 -111.759 29.538 77.3898 -88.4113 -38.2239 -6.92073 PRESSAVG: 3188600 8.77547 -23.6135 -66.9337 -23.6135 2.98964 -14.8502 -66.9337 -14.8502 -19.0615 GPRESSAVG: 3188600 8.85171 -25.4177 -66.3811 -23.3238 3.61681 -17.8432 -68.594 -13.851 -19.5001 TIMING: 3188600 CPU: 9527.36, 0.00306097/step Wall: 9527.36, 0.00306097/step, 1.54018 hours remaining, 206.269531 MB of memory in use. ENERGY: 3188600 748.7028 2102.3523 1919.0606 113.6340 -206293.7021 17900.8380 0.0000 0.0000 34119.7638 -149389.3506 297.9764 -183509.1144 -149291.2390 298.5268 14.3291 45.3335 558453.9105 -2.4321 -2.3439 PRESSURE: 3188800 -10.9699 -27.8951 -113.567 -27.8956 -8.21176 -194.347 -113.567 -194.349 -273.587 GPRESSURE: 3188800 6.03315 -110.222 -177.691 -0.817645 14.7682 -268.308 -61.204 -88.5014 -206.953 PRESSAVG: 3188800 -2.24641 45.8394 -19.2335 45.8395 41.7862 -16.1229 -19.2335 -16.1229 -24.4706 GPRESSAVG: 3188800 -3.00257 44.829 -21.6044 46.3393 40.3729 -13.7881 -16.6098 -16.8517 -22.5953 TIMING: 3188800 CPU: 9527.97, 0.0030267/step Wall: 9527.97, 0.0030267/step, 1.52277 hours remaining, 206.269531 MB of memory in use. ENERGY: 3188800 729.0698 2153.9194 1965.6838 106.9606 -206393.4272 17817.8444 0.0000 0.0000 34176.5037 -149443.4455 298.4719 -183619.9492 -149348.6671 299.1259 -97.5894 -62.0506 559992.7576 5.0231 4.9250 PRESSURE: 3189000 327.763 2.65833 158.475 2.65817 206.666 22.7004 158.476 22.702 132.903 GPRESSURE: 3189000 359.216 57.2841 193.232 -15.6694 230.449 18.2903 76.8955 7.914 177.701 PRESSAVG: 3189000 -10.6997 6.67063 13.41 6.67059 40.1663 11.3906 13.4099 11.3906 -17.6823 GPRESSAVG: 3189000 -10.8454 7.63314 17.5311 5.84105 40.9603 11.8324 9.90247 10.2781 -18.3464 TIMING: 3189000 CPU: 9528.57, 0.00300707/step Wall: 9528.57, 0.00300707/step, 1.51272 hours remaining, 206.269531 MB of memory in use. ENERGY: 3189000 749.4973 2047.0224 1939.4980 95.8894 -206941.5358 18478.5912 0.0000 0.0000 34295.3471 -149335.6903 299.5098 -183631.0374 -149230.5387 298.6118 222.4438 255.7886 558556.2740 3.9281 3.9228 PRESSURE: 3189200 -81.2354 -154.025 183.243 -154.025 -106.77 -36.04 183.243 -36.0413 -277.309 GPRESSURE: 3189200 -12.6736 -168.829 89.6152 -114.911 -140.894 -3.98454 247.568 -90.1984 -206.248 PRESSAVG: 3189200 -6.15699 18.1304 -0.403125 18.1304 14.9589 -43.5427 -0.403032 -43.5426 -22.9331 GPRESSAVG: 3189200 -5.86018 17.0411 -1.47429 17.2138 15.1668 -41.393 -0.0528472 -45.2614 -23.5227 TIMING: 3189200 CPU: 9529.17, 0.00298196/step Wall: 9529.17, 0.00298196/step, 1.49992 hours remaining, 206.269531 MB of memory in use. ENERGY: 3189200 761.4379 2073.2243 1940.6705 128.4389 -206574.1689 18003.0273 0.0000 0.0000 34409.1082 -149258.2618 300.5033 -183667.3700 -149160.2854 299.0343 -155.1049 -119.9386 560056.0454 -4.7104 -4.7387 PRESSURE: 3189400 150.023 162.205 -0.41462 162.205 -69.699 -65.6607 -0.414912 -65.6624 46.0293 GPRESSURE: 3189400 182.328 96.9552 -18.745 2.81902 11.848 -98.842 -99.4817 5.95679 20.2513 PRESSAVG: 3189400 35.2572 -10.2555 -21.1597 -10.2555 3.58853 -44.5651 -21.1597 -44.5651 -28.8116 GPRESSAVG: 3189400 35.8048 -8.24958 -21.3945 -9.41402 2.84722 -47.1882 -21.1199 -41.4443 -28.4551 TIMING: 3189400 CPU: 9529.77, 0.00301103/step Wall: 9529.77, 0.00301103/step, 1.51438 hours remaining, 206.269531 MB of memory in use. ENERGY: 3189400 739.3848 2087.4222 1969.9242 114.0116 -206562.3539 18098.1901 0.0000 0.0000 34373.5064 -149179.9144 300.1924 -183553.4209 -149087.6665 299.6184 42.1178 71.4758 560386.6368 3.3447 3.3990 PRESSURE: 3189600 85.7901 95.8055 108.954 95.8037 -101.104 231.776 108.954 231.776 84.0656 GPRESSURE: 3189600 65.1399 24.4265 149.38 78.263 -29.6507 143.894 72.7506 234.138 123.691 PRESSAVG: 3189600 -15.9683 -49.1413 13.6499 -49.1412 0.449863 26.5326 13.65 26.5325 -1.4615 GPRESSAVG: 3189600 -15.3387 -49.7288 16.325 -48.0283 1.2652 24.9332 12.5623 25.4571 -3.16759 TIMING: 3189600 CPU: 9530.37, 0.00299549/step Wall: 9530.37, 0.00299549/step, 1.5064 hours remaining, 206.269531 MB of memory in use. ENERGY: 3189600 723.8795 2096.2846 1999.0087 113.1790 -205986.3027 17707.9377 0.0000 0.0000 34246.4081 -149099.6050 299.0824 -183346.0130 -149004.2553 299.6524 22.9171 53.0602 559317.4309 -5.6600 -5.7470 PRESSURE: 3189800 -236.646 -142.925 -108.85 -142.924 -71.4315 -85.6232 -108.85 -85.6231 -15.6543 GPRESSURE: 3189800 -203.813 -81.3476 -115.179 -177.71 -54.8158 -131.993 -84.9468 -52.509 25.5996 PRESSAVG: 3189800 74.4038 -65.5833 -24.9889 -65.5832 -5.96698 23.4396 -24.9889 23.4397 -58.215 GPRESSAVG: 3189800 74.4188 -65.3809 -26.6641 -66.0774 -6.94501 23.9237 -21.4461 23.9485 -57.2258 TIMING: 3189800 CPU: 9530.97, 0.00300438/step Wall: 9530.97, 0.00300438/step, 1.5107 hours remaining, 206.269531 MB of memory in use. ENERGY: 3189800 738.5617 2018.8569 1954.8941 108.0380 -205874.2740 17818.5681 0.0000 0.0000 33944.6290 -149290.7261 296.4469 -183235.3551 -149191.2470 299.0061 -107.9105 -77.6765 559808.9586 3.4073 3.4160 PRESSURE: 3190000 122.168 -84.8086 -43.4212 -84.8091 -111.289 183.223 -43.4218 183.224 -9.09311 GPRESSURE: 3190000 133.433 -32.9156 -28.1342 -106.479 -64.5647 156.858 -50.7862 110.546 41.339 PRESSAVG: 3190000 10.865 -27.0397 -42.0805 -27.0397 11.4115 21.6385 -42.0805 21.6385 -8.06785 GPRESSAVG: 3190000 10.3222 -26.7096 -42.4144 -26.9911 11.272 23.0223 -43.5012 19.8712 -6.86748 TIMING: 3190000 CPU: 9531.57, 0.00303049/step Wall: 9531.57, 0.00303049/step, 1.52366 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: 3190000 768.5199 2121.7914 1933.4812 112.7385 -206154.0679 17779.9277 0.0000 0.0000 34328.6412 -149108.9681 299.8006 -183437.6093 -149011.2604 298.9074 0.5954 36.7357 557311.6191 4.7362 4.9089 PRESSURE: 3190200 332.875 27.837 45.757 27.8359 -34.7422 93.5194 45.7586 93.5209 -120.805 GPRESSURE: 3190200 317.986 2.37834 140.385 27.0996 96.4398 176.491 38.6715 66.8226 -136.907 PRESSAVG: 3190200 81.6326 -15.6151 -25.3779 -15.6151 70.75 20.0092 -25.3779 20.0092 -146.273 GPRESSAVG: 3190200 82.0048 -14.7875 -24.3225 -16.0778 71.5898 19.9284 -27.3782 21.3562 -148.132 TIMING: 3190200 CPU: 9532.18, 0.00304768/step Wall: 9532.18, 0.00304768/step, 1.53213 hours remaining, 206.269531 MB of memory in use. ENERGY: 3190200 768.7819 2001.1598 1947.5644 125.5452 -206367.8050 18160.7794 0.0000 0.0000 34229.8701 -149134.1043 298.9380 -183363.9744 -149037.9040 299.4957 59.1092 92.5061 558123.6334 2.0364 1.8207 PRESSURE: 3190400 36.1784 -157.62 70.5363 -157.621 58.2448 8.56319 70.5375 8.56205 -62.1333 GPRESSURE: 3190400 64.377 -264.117 -2.40371 -100.051 71.1853 11.0878 177.901 -19.8551 -5.69548 PRESSAVG: 3190400 44.5748 -16.193 76.7783 -16.193 -2.53633 39.6941 76.7782 39.6939 -58.1976 GPRESSAVG: 3190400 43.9891 -15.5857 75.1253 -15.0255 -1.98827 40.8492 78.8046 38.3384 -58.2681 TIMING: 3190400 CPU: 9532.79, 0.00303016/step Wall: 9532.79, 0.00303016/step, 1.52316 hours remaining, 206.269531 MB of memory in use. ENERGY: 3190400 743.3464 2046.5836 1964.5074 127.1891 -206188.7122 17952.9704 0.0000 0.0000 34125.3459 -149228.7694 298.0251 -183354.1153 -149133.4253 298.3112 10.7633 43.2889 558702.0714 -5.3863 -5.4224 PRESSURE: 3190600 -24.0643 53.1645 77.869 53.1647 70.1819 -36.5989 77.8685 -36.5993 163.957 GPRESSURE: 3190600 53.0837 11.3823 36.9357 -47.1433 31.498 -123.741 103.603 12.4022 219.761 PRESSAVG: 3190600 -2.37185 4.64756 -9.75787 4.64764 -17.7829 3.81458 -9.75796 3.81452 -23.6209 GPRESSAVG: 3190600 -0.902617 3.63961 -7.58479 2.7221 -20.4557 1.96097 -10.5719 3.8858 -22.1208 TIMING: 3190600 CPU: 9533.4, 0.0030409/step Wall: 9533.4, 0.0030409/step, 1.52839 hours remaining, 206.269531 MB of memory in use. ENERGY: 3190600 744.3335 2045.2442 1970.3043 120.1879 -206309.5849 17899.9475 0.0000 0.0000 34289.7052 -149239.8623 299.4605 -183529.5675 -149137.1341 299.3420 70.0249 101.4476 559276.3304 -14.5919 -14.4930 PRESSURE: 3190800 -175.894 -73.5912 -62.463 -73.5913 -50.1147 132.285 -62.4621 132.283 -81.1908 GPRESSURE: 3190800 -232.006 -28.9946 -71.1034 -26.6316 48.7428 185.267 -115.512 54.0011 -24.6327 PRESSAVG: 3190800 21.5284 -17.0678 -29.7808 -17.0678 -36.8146 -38.9924 -29.7809 -38.9925 12.0898 GPRESSAVG: 3190800 19.7911 -17.2854 -31.1567 -15.7011 -34.362 -38.078 -27.9016 -37.8982 11.4236 TIMING: 3190800 CPU: 9534.01, 0.00304554/step Wall: 9534.01, 0.00304554/step, 1.53055 hours remaining, 206.269531 MB of memory in use. ENERGY: 3190800 735.2493 2097.1434 1955.5761 112.5187 -205793.6345 17630.7850 0.0000 0.0000 34221.1189 -149041.2432 298.8615 -183262.3621 -148939.7884 299.1249 -102.3999 -69.2986 559125.1500 -1.0655 -1.0491 PRESSURE: 3191000 -20.3835 -227.03 -67.0933 -227.03 -7.32975 -36.9875 -67.0937 -36.9873 137.351 GPRESSURE: 3191000 48.3972 -185.991 24.8106 -261.082 -9.13746 4.47463 -188.782 -72.2168 160.975 PRESSAVG: 3191000 20.2466 -40.0027 16.4175 -40.0027 -15.2969 35.7273 16.4174 35.7274 22.9688 GPRESSAVG: 3191000 20.3665 -40.5044 15.1371 -41.3337 -14.4077 35.238 16.2879 35.9266 22.5763 TIMING: 3191000 CPU: 9534.61, 0.00302444/step Wall: 9534.61, 0.00302444/step, 1.51978 hours remaining, 206.269531 MB of memory in use. ENERGY: 3191000 701.2088 2121.1381 1965.5073 122.5213 -205921.7470 17853.5641 0.0000 0.0000 34313.6307 -148844.1768 299.6695 -183157.8075 -148746.9254 299.7971 36.5460 66.7449 559385.1737 9.3062 9.5117 PRESSURE: 3191200 -60.0068 187.108 187.678 187.107 -38.7405 119.911 187.678 119.91 -163.145 GPRESSURE: 3191200 29.6347 201.672 153.114 77.204 -29.1699 180.473 196.085 159.073 -165.241 PRESSAVG: 3191200 27.4551 23.9383 87.162 23.9384 -21.4672 16.9493 87.162 16.9493 -3.03764 GPRESSAVG: 3191200 26.9432 22.7715 89.1503 26.158 -21.0535 16.9336 84.9642 17.918 -2.9754 TIMING: 3191200 CPU: 9535.21, 0.00300611/step Wall: 9535.21, 0.00300611/step, 1.51041 hours remaining, 206.269531 MB of memory in use. ENERGY: 3191200 730.9966 2128.2772 1948.2207 109.8897 -205766.0096 17544.2430 0.0000 0.0000 34362.1548 -148942.2275 300.0932 -183304.3823 -148848.2686 299.8561 -87.2976 -54.9256 559278.8823 0.9834 0.9714 PRESSURE: 3191400 -114.375 20.1322 -21.8556 20.1309 -232.951 50.038 -21.8556 50.0389 -211.908 GPRESSURE: 3191400 -73.1368 80.4555 -64.969 -38.2331 -184.947 20.3595 -53.9427 119.43 -199.579 PRESSAVG: 3191400 -0.963522 -24.6351 67.9287 -24.6352 26.1279 -2.9082 67.9287 -2.90824 -12.6873 GPRESSAVG: 3191400 -0.0797974 -22.1021 65.2486 -25.0382 24.2342 -2.96094 69.0772 -4.00052 -11.9782 TIMING: 3191400 CPU: 9535.82, 0.00303711/step Wall: 9535.82, 0.00303711/step, 1.52581 hours remaining, 206.269531 MB of memory in use. ENERGY: 3191400 736.7789 2108.0672 1976.4513 107.0553 -205368.9928 17241.7341 0.0000 0.0000 34296.0115 -148902.8946 299.5156 -183198.9061 -148811.1932 299.8309 -186.4115 -152.5541 558520.5340 4.1590 4.0587 PRESSURE: 3191600 -101.829 -58.4538 -179.287 -58.454 -54.7239 -141.402 -179.288 -141.402 -90.5538 GPRESSURE: 3191600 -81.1663 -78.2107 -183.554 -85.1205 0.819871 -82.6875 -190.277 -145.955 -64.3488 PRESSAVG: 3191600 48.846 -46.6505 19.7723 -46.6505 -18.4781 -35.2101 19.7724 -35.2101 -10.8744 GPRESSAVG: 3191600 48.8139 -49.6403 21.75 -47.8579 -18.6466 -34.0566 17.4746 -35.2807 -10.818 TIMING: 3191600 CPU: 9536.42, 0.00298559/step Wall: 9536.42, 0.00298559/step, 1.49976 hours remaining, 206.269531 MB of memory in use. ENERGY: 3191600 731.2074 2093.7400 1952.4479 119.0509 -205770.7362 17444.6355 0.0000 0.0000 34227.6233 -149202.0314 298.9183 -183429.6547 -149108.2176 299.6212 -82.3691 -48.2318 557556.9158 6.4978 6.4498 PRESSURE: 3191800 1.14567 -55.9951 -172.468 -55.9962 129.876 10.2781 -172.471 10.2795 -55.4401 GPRESSURE: 3191800 0.761038 -79.5309 -153.432 -8.29515 206.347 -22.9762 -257.67 35.5847 -22.2061 PRESSAVG: 3191800 15.0104 -25.2993 -23.37 -25.2993 6.42824 -3.54277 -23.3701 -3.54283 -10.6979 GPRESSAVG: 3191800 14.5208 -22.1839 -23.5639 -24.1511 6.66162 -4.17043 -22.1903 -2.79221 -10.5481 TIMING: 3191800 CPU: 9537.01, 0.00297892/step Wall: 9537.01, 0.00297892/step, 1.49625 hours remaining, 206.269531 MB of memory in use. ENERGY: 3191800 776.6682 2079.9322 1945.5885 106.9241 -205794.0173 17749.9725 0.0000 0.0000 34125.5544 -149009.3773 298.0270 -183134.9317 -148921.9451 299.6238 25.1938 61.6341 557958.6790 3.5803 3.5448 PRESSURE: 3192000 -118.618 -235.3 79.8552 -235.3 -63.5063 -58.8867 79.855 -58.8875 185.709 GPRESSURE: 3192000 -106.798 -169.359 23.1065 -236.078 -5.08262 -119.235 151.046 -161.494 208.434 PRESSAVG: 3192000 -30.3915 -68.6757 -20.8988 -68.6757 -11.9943 -9.36773 -20.8989 -9.36778 56.3267 GPRESSAVG: 3192000 -30.1974 -70.451 -22.0993 -68.1225 -12.1945 -9.36943 -19.2467 -10.8077 56.3853 TIMING: 3192000 CPU: 9537.61, 0.00298545/step Wall: 9537.61, 0.00298545/step, 1.49936 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: 3192000 716.8517 2124.2700 1952.5525 110.0678 -206124.7278 17833.7090 0.0000 0.0000 34376.9786 -149010.2982 300.2227 -183387.2768 -148909.7586 300.6045 1.1948 32.1846 558867.6487 4.6470 4.6645 PRESSURE: 3192200 33.7167 -1.60383 -118.431 -1.60324 -279.09 129.782 -118.43 129.782 59.8361 GPRESSURE: 3192200 108.57 -20.9859 -85.9603 -55.6555 -251.035 155.219 -66.6103 78.194 55.1819 PRESSAVG: 3192200 7.7981 -39.3485 -17.3657 -39.3485 -17.5372 12.1422 -17.3657 12.1422 8.84779 GPRESSAVG: 3192200 7.22163 -38.5565 -17.9286 -38.3839 -17.6272 14.1723 -17.523 10.9113 9.43413 TIMING: 3192200 CPU: 9538.21, 0.00300525/step Wall: 9538.21, 0.00300525/step, 1.50913 hours remaining, 206.269531 MB of memory in use. ENERGY: 3192200 728.3143 2115.9256 1938.5535 120.1012 -205907.2533 17519.3421 0.0000 0.0000 34461.3151 -149023.7015 300.9592 -183485.0166 -148926.9118 300.4047 -61.8459 -29.0943 557295.7301 -0.2971 -0.3238 LDB: ============= START OF LOAD BALANCING ============== 9541.64 LDB: ============== END OF LOAD BALANCING =============== 9541.64 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9541.64 LDB: ============= START OF LOAD BALANCING ============== 9541.94 LDB: Largest compute 4820 load 0.028972 is 24.6% of average load 0.117941 LDB: Average compute 0.001736 is 1.5% of average load 0.117941 LDB: TIME 9541.95 LOAD: AVG 0.117941 MAX 0.204063 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.551 MB LDB: TIME 9541.95 LOAD: AVG 0.117941 MAX 0.204063 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.551 MB LDB: TIME 9541.95 LOAD: AVG 0.117941 MAX 0.204063 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.551 MB LDB: ============== END OF LOAD BALANCING =============== 9541.95 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9541.95 PRESSURE: 3192400 30.2184 -86.4336 -85.8087 -86.4336 -106.73 55.6389 -85.8096 55.6383 92.5352 GPRESSURE: 3192400 28.2885 -179.388 -102.347 -57.5813 -23.7455 46.8843 -121.377 28.5342 111.982 PRESSAVG: 3192400 -0.0554714 -30.9124 -30.8567 -30.9125 43.7536 47.5497 -30.8567 47.5496 -15.595 GPRESSAVG: 3192400 1.03129 -31.2172 -29.1297 -31.9146 44.235 44.7035 -31.981 48.7618 -16.6261 TIMING: 3192400 CPU: 9538.82, 0.00305074/step Wall: 9538.82, 0.00305074/step, 1.53181 hours remaining, 207.542969 MB of memory in use. ENERGY: 3192400 733.5641 2122.1982 1923.3323 119.7092 -205949.4607 17735.4237 0.0000 0.0000 34502.4491 -148812.7841 301.3185 -183315.2332 -148709.5296 300.0661 5.3413 38.8416 557472.0447 9.3677 9.5467 PRESSURE: 3192600 -255.086 64.4649 138.672 64.4649 122.794 -73.0503 138.671 -73.0494 -233.006 GPRESSURE: 3192600 -211.295 66.8514 167.756 69.3652 134.86 -140.925 194.269 5.56985 -193.206 PRESSAVG: 3192600 73.5817 -64.6071 10.2479 -64.6072 -43.154 19.7756 10.2477 19.7756 -20.1283 GPRESSAVG: 3192600 71.8241 -65.3697 11.5981 -65.9644 -42.8376 18.838 9.10054 20.7739 -19.0872 TIMING: 3192600 CPU: 9539.42, 0.00296339/step Wall: 9539.42, 0.00296339/step, 1.48779 hours remaining, 207.613281 MB of memory in use. ENERGY: 3192600 735.7129 2084.3019 1970.6396 119.9733 -205671.8812 17572.6323 0.0000 0.0000 34468.7746 -148719.8467 301.0244 -183188.6213 -148622.9348 300.5685 -121.7660 -89.8802 559198.4268 3.4331 3.2998 PRESSURE: 3192800 5.7788 134.835 -84.9193 134.835 62.1142 10.0936 -84.9185 10.0934 -108.782 GPRESSURE: 3192800 59.6426 227.533 -47.4287 170.959 50.8983 51.1616 -74.4868 -31.8479 -49.0877 PRESSAVG: 3192800 13.2056 -44.1268 29.5641 -44.1268 2.35643 -24.6462 29.5641 -24.6462 -41.654 GPRESSAVG: 3192800 14.1648 -41.9115 27.6415 -43.3186 2.58425 -22.7143 29.11 -27.5641 -42.7863 TIMING: 3192800 CPU: 9540.01, 0.00299418/step Wall: 9540.01, 0.00299418/step, 1.50308 hours remaining, 207.667969 MB of memory in use. ENERGY: 3192800 730.0929 2109.8010 1937.3139 109.9062 -205509.5772 17699.0849 0.0000 0.0000 34290.5125 -148632.8657 299.4676 -182923.3782 -148538.6942 301.1506 -13.6297 20.4844 558634.4353 -8.6973 -8.6791 PRESSURE: 3193000 -312.479 29.51 60.0748 29.5089 38.2901 3.78924 60.0735 3.78867 -15.3278 GPRESSURE: 3193000 -255.215 34.6915 11.1064 -25.1718 65.943 5.0676 70.8788 -19.4577 1.94831 PRESSAVG: 3193000 2.00666 25.8579 -66.2367 25.8579 -17.0486 -2.1307 -66.2367 -2.1306 -8.64341 GPRESSAVG: 3193000 2.42209 24.5885 -65.6684 25.7155 -17.6398 -3.39389 -63.9175 1.02055 -8.20879 TIMING: 3193000 CPU: 9540.62, 0.00301601/step Wall: 9540.62, 0.00301601/step, 1.51387 hours remaining, 207.667969 MB of memory in use. ENERGY: 3193000 757.1210 2058.2186 1964.6264 105.6714 -205973.0704 17829.4610 0.0000 0.0000 34524.0517 -148733.9202 301.5071 -183257.9719 -148640.1314 300.6222 -96.5055 -62.4413 559060.7902 -7.8951 -7.8088 PRESSURE: 3193200 -101.742 61.2794 -35.9714 61.2791 85.3479 34.4404 -35.9714 34.4394 -116.226 GPRESSURE: 3193200 -55.7187 72.9074 -23.459 -26.4577 82.7151 89.8769 -25.6092 16.1172 -60.7997 PRESSAVG: 3193200 27.7103 16.6581 -9.52917 16.6581 21.7949 66.1348 -9.52916 66.1349 -68.764 GPRESSAVG: 3193200 26.7117 16.1746 -9.70093 16.4589 21.8016 66.0643 -9.1548 63.3749 -67.8152 TIMING: 3193200 CPU: 9541.22, 0.00300943/step Wall: 9541.22, 0.00300943/step, 1.5104 hours remaining, 207.667969 MB of memory in use. ENERGY: 3193200 772.2799 2145.9353 1928.1190 115.6451 -205567.3364 17622.5142 0.0000 0.0000 34218.6010 -148764.2420 298.8396 -182982.8430 -148672.0390 300.7481 -44.2068 -11.2678 559126.7310 -6.4196 -6.4340 PRESSURE: 3193400 -140.041 -10.1366 194.61 -10.1364 -217.273 98.7105 194.61 98.7102 374.07 GPRESSURE: 3193400 -56.24 12.8275 167.369 -14.8497 -216.011 103.734 173.058 41.1529 380.363 PRESSAVG: 3193400 9.00817 27.8945 -3.80798 27.8945 -36.053 91.6878 -3.80792 91.6878 66.3717 GPRESSAVG: 3193400 8.48379 27.561 -3.02967 29.0018 -35.0503 94.2858 -5.55289 93.3297 66.4408 TIMING: 3193400 CPU: 9541.82, 0.00302108/step Wall: 9541.82, 0.00302108/step, 1.51608 hours remaining, 207.667969 MB of memory in use. ENERGY: 3193400 760.3684 2078.0257 1980.4607 115.9164 -205974.4037 17886.0425 0.0000 0.0000 34297.8518 -148855.7381 299.5317 -183153.5900 -148760.0831 300.6360 5.5853 36.0375 558345.9411 13.1090 13.2914 PRESSURE: 3193600 -160.021 170.31 -4.95251 170.31 -269.469 -66.7796 -4.95196 -66.7791 129.479 GPRESSURE: 3193600 -168.674 230.192 54.6432 194.72 -195.035 -92.844 33.3622 -54.3201 152.342 PRESSAVG: 3193600 15.8618 -18.9577 35.044 -18.9577 -47.2884 51.1132 35.044 51.1132 21.3736 GPRESSAVG: 3193600 17.1358 -18.527 36.381 -18.6846 -46.6144 48.5079 35.1317 50.9987 20.0631 TIMING: 3193600 CPU: 9542.43, 0.00303339/step Wall: 9542.43, 0.00303339/step, 1.52209 hours remaining, 207.667969 MB of memory in use. ENERGY: 3193600 777.3598 2071.1176 1964.0297 111.0887 -205930.4058 17700.7288 0.0000 0.0000 34344.3394 -148961.7418 299.9377 -183306.0812 -148862.3578 300.1199 -100.0035 -70.4557 560137.6120 -3.3510 -3.1385 PRESSURE: 3193800 95.7294 -68.443 -43.8984 -68.4417 179.168 -94.9411 -43.8971 -94.9406 11.2952 GPRESSURE: 3193800 153.149 -7.71932 -111.906 -79.9413 167.51 -9.34473 121.24 -204.415 57.4384 PRESSAVG: 3193800 -32.3289 -9.71995 59.9258 -9.72 -10.4366 -1.18411 59.9258 -1.18417 58.2245 GPRESSAVG: 3193800 -34.0938 -9.72949 57.9378 -9.10232 -10.8016 -0.248082 61.8525 -2.78338 59.2694 TIMING: 3193800 CPU: 9543.03, 0.00299832/step Wall: 9543.03, 0.00299832/step, 1.50433 hours remaining, 207.667969 MB of memory in use. ENERGY: 3193800 716.8822 2125.1120 1933.6033 113.6055 -206025.8795 17920.0173 0.0000 0.0000 34246.1634 -148970.4957 299.0803 -183216.6591 -148877.2943 299.7140 95.3974 126.0325 559274.0134 5.1530 4.7913 PRESSURE: 3194000 -2.01919 -138.312 -54.2886 -138.313 -111.442 52.7417 -54.2887 52.7414 -147.631 GPRESSURE: 3194000 36.9074 -92.5449 -123.676 -99.4192 -57.4541 52.6621 22.1918 64.3072 -144.442 PRESSAVG: 3194000 -23.0303 -20.8519 33.964 -20.8519 5.92738 34.859 33.964 34.859 -32.5127 GPRESSAVG: 3194000 -22.1675 -21.3355 31.7456 -20.1603 7.16398 33.4923 35.0938 36.8773 -34.6766 TIMING: 3194000 CPU: 9543.64, 0.003032/step Wall: 9543.64, 0.003032/step, 1.52105 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: 3194000 727.4332 2062.4895 1982.8547 120.0144 -205561.9350 17471.9908 0.0000 0.0000 34255.4906 -148941.6619 299.1617 -183197.1525 -148851.5828 299.9712 -87.0309 -54.9963 558470.1931 -16.5385 -16.5600 PRESSURE: 3194200 -62.1964 -92.7305 159.024 -92.7319 -348.431 -56.1249 159.024 -56.123 102.137 GPRESSURE: 3194200 -112.972 -67.1442 122.099 -112.788 -304.678 -162.737 124.063 36.794 201.902 PRESSAVG: 3194200 39.3397 28.8934 40.8762 28.8933 -33.975 -18.9755 40.8761 -18.9754 7.42708 GPRESSAVG: 3194200 39.7945 28.2991 41.7698 28.654 -36.1037 -18.4058 38.4218 -20.9575 8.73781 TIMING: 3194200 CPU: 9544.24, 0.00300509/step Wall: 9544.24, 0.00300509/step, 1.50739 hours remaining, 207.667969 MB of memory in use. ENERGY: 3194200 727.9373 2106.3689 1958.5886 129.6458 -205802.6554 17613.7039 0.0000 0.0000 34219.2329 -149047.1781 298.8451 -183266.4110 -148963.8790 300.1337 -102.8301 -71.9158 558665.5264 4.2639 4.1428 PRESSURE: 3194400 -110.118 -17.0535 -20.5103 -17.0531 -173.975 -1.61762 -20.5097 -1.61829 -488.353 GPRESSURE: 3194400 -160.975 -17.5847 44.2156 -117.129 -87.6856 -22.0228 -74.4965 -89.8323 -428.266 PRESSAVG: 3194400 70.6876 -2.07275 -48.6502 -2.07272 -37.7948 6.95273 -48.6502 6.95268 -38.7167 GPRESSAVG: 3194400 70.526 0.0762491 -47.8713 -4.45855 -37.313 7.53544 -47.1917 7.99182 -39.1812 TIMING: 3194400 CPU: 9544.84, 0.00300054/step Wall: 9544.84, 0.00300054/step, 1.50494 hours remaining, 207.667969 MB of memory in use. ENERGY: 3194400 781.1137 2092.0434 1958.5181 112.0051 -205885.3001 17650.0178 0.0000 0.0000 34319.8934 -148971.7086 299.7242 -183291.6020 -148868.6670 299.9097 -257.4819 -225.6420 560312.5554 -1.9413 -1.9894 PRESSURE: 3194600 -43.9501 70.9273 121.897 70.9268 116.257 -29.384 121.897 -29.3825 147.645 GPRESSURE: 3194600 -14.268 106.909 112.023 8.7213 134.908 -0.292583 98.167 -37.3169 184.508 PRESSAVG: 3194600 18.845 38.5644 10.6604 38.5645 21.4937 6.8919 10.6604 6.89199 -31.1897 GPRESSAVG: 3194600 18.1304 39.6558 12.1432 38.8987 22.3139 6.53025 9.78878 9.1484 -31.0748 TIMING: 3194600 CPU: 9545.44, 0.00301568/step Wall: 9545.44, 0.00301568/step, 1.51236 hours remaining, 207.667969 MB of memory in use. ENERGY: 3194600 768.7343 2086.6862 1944.4126 114.3525 -206227.2206 18109.2126 0.0000 0.0000 34515.4141 -148688.4082 301.4317 -183203.8223 -148589.9756 300.3609 73.3172 101.7162 557774.4644 3.0497 3.1232 PRESSURE: 3194800 -103.076 63.1781 3.1622 63.1779 -121.664 351.845 3.1617 351.846 -245.871 GPRESSURE: 3194800 -54.4514 10.2087 -6.58516 119.056 -93.4323 252.1 8.49408 312.907 -218.926 PRESSAVG: 3194800 24.2567 4.88185 36.9385 4.88184 -10.9806 84.5507 36.9385 84.5508 -24.5096 GPRESSAVG: 3194800 23.3606 3.64632 33.5758 4.71947 -10.7322 84.5418 37.4468 83.5851 -23.7153 TIMING: 3194800 CPU: 9546.04, 0.00300805/step Wall: 9546.04, 0.00300805/step, 1.50837 hours remaining, 207.667969 MB of memory in use. ENERGY: 3194800 732.3662 2077.1030 1937.4094 118.6538 -205644.8165 17669.2024 0.0000 0.0000 34368.1107 -148741.9711 300.1453 -183110.0817 -148643.7893 300.4581 -156.8703 -122.2698 559727.4302 -3.7445 -3.6956 PRESSURE: 3195000 141.664 52.6087 26.9746 52.6091 -132.508 47.6376 26.9761 47.6362 242.25 GPRESSURE: 3195000 197.162 -13.1704 -69.861 59.1313 -82.8172 45.6833 96.4211 24.4026 232.096 PRESSAVG: 3195000 56.6652 -1.51223 30.1619 -1.51229 -23.1752 56.3664 30.162 56.3663 -25.2392 GPRESSAVG: 3195000 57.4059 -2.31891 32.58 0.0494407 -23.6184 55.8914 27.8278 56.5781 -25.2965 TIMING: 3195000 CPU: 9546.64, 0.00300293/step Wall: 9546.64, 0.00300293/step, 1.50564 hours remaining, 207.667969 MB of memory in use. ENERGY: 3195000 680.4889 2084.3254 1928.7805 116.4414 -206084.6014 17948.3643 0.0000 0.0000 34582.1539 -148744.0470 302.0146 -183326.2009 -148650.9641 300.0353 83.8018 115.4801 558338.4465 2.7502 2.8303 PRESSURE: 3195200 -118.065 -135.808 183.964 -135.808 -57.3275 -50.4257 183.964 -50.4264 54.5689 GPRESSURE: 3195200 -89.0659 -168.363 145.351 -104.928 7.36172 -19.795 166.084 -34.0616 61.0308 PRESSAVG: 3195200 25.3012 -27.416 39.0836 -27.416 -33.9623 2.14392 39.0836 2.14389 -21.9979 GPRESSAVG: 3195200 26.0453 -27.8728 38.1697 -27.2621 -36.1047 3.86861 40.1648 1.14498 -20.3734 TIMING: 3195200 CPU: 9547.25, 0.00303611/step Wall: 9547.25, 0.00303611/step, 1.5221 hours remaining, 207.667969 MB of memory in use. ENERGY: 3195200 730.2549 2087.0664 1933.6392 111.1716 -205861.1642 17768.9199 0.0000 0.0000 34210.7388 -149019.3733 298.7709 -183230.1122 -148919.0770 299.7720 -40.2746 -6.8911 559725.9625 -10.2197 -10.1443 PRESSURE: 3195400 -27.6436 -121.946 88.7021 -121.947 94.6767 -106.801 88.7023 -106.801 -113.337 GPRESSURE: 3195400 108.001 -123.223 -2.05745 -103.011 81.3392 -108.133 207.304 -39.1277 -137.622 PRESSAVG: 3195400 37.4426 -7.6387 46.8492 -7.63867 4.56201 41.7669 46.8492 41.7669 -19.1924 GPRESSAVG: 3195400 37.8771 -6.30283 45.1594 -10.6781 5.97496 41.4372 47.8189 41.2217 -20.6657 TIMING: 3195400 CPU: 9547.85, 0.00302166/step Wall: 9547.85, 0.00302166/step, 1.51469 hours remaining, 207.667969 MB of memory in use. ENERGY: 3195400 730.2030 2097.8956 1923.1595 103.0355 -205799.6031 17617.7656 0.0000 0.0000 34392.7330 -148934.8109 300.3603 -183327.5439 -148836.7446 299.8823 -15.4347 17.2395 558711.7025 7.6041 7.7288 PRESSURE: 3195600 173.973 -8.82018 17.2177 -8.82198 -318.916 119.314 17.2175 119.314 -157.419 GPRESSURE: 3195600 215.027 -22.1332 84.4152 -19.7691 -274.764 85.2917 -22.5159 120.925 -130.346 PRESSAVG: 3195600 1.57181 -31.8391 -29.8808 -31.8391 0.370105 -17.5622 -29.8808 -17.5623 -9.90639 GPRESSAVG: 3195600 1.42877 -29.7342 -29.2158 -30.1811 -0.0760996 -18.0442 -31.421 -17.5602 -9.11413 TIMING: 3195600 CPU: 9548.46, 0.00301403/step Wall: 9548.46, 0.00301403/step, 1.5107 hours remaining, 207.667969 MB of memory in use. ENERGY: 3195600 746.2046 2151.6492 1947.7277 106.5065 -205784.0229 17491.1341 0.0000 0.0000 34417.1386 -148923.6623 300.5734 -183340.8009 -148826.7263 300.3167 -100.7873 -63.3610 558300.6631 -2.6548 -2.5872 PRESSURE: 3195800 496.249 52.7057 -58.6205 52.7054 349.569 214.342 -58.6213 214.341 -20.0172 GPRESSURE: 3195800 515.325 63.2654 -79.4088 -44.7266 310.913 329.175 0.359568 130.34 94.4696 PRESSAVG: 3195800 1.48472 -31.1106 24.851 -31.1105 10.2031 -19.0057 24.851 -19.0056 -16.2133 GPRESSAVG: 3195800 1.32694 -34.8714 24.7105 -30.6605 11.2011 -16.7605 26.0157 -19.5423 -17.2914 TIMING: 3195800 CPU: 9549.06, 0.00300557/step Wall: 9549.06, 0.00300557/step, 1.50629 hours remaining, 207.667969 MB of memory in use. ENERGY: 3195800 742.7842 2062.8530 1934.2938 109.3236 -206496.6928 18308.4843 0.0000 0.0000 34571.3682 -148767.5856 301.9204 -183338.9538 -148671.1829 299.8785 275.2667 306.9025 557553.1982 -1.5085 -1.5878 PRESSURE: 3196000 -49.4287 -109.349 -16.6196 -109.35 -118.033 -110.801 -16.6193 -110.803 138.405 GPRESSURE: 3196000 13.0619 -39.451 -64.2628 -140.067 -78.8383 -109.98 56.2807 -103.052 133.556 PRESSAVG: 3196000 48.6669 -2.99658 -27.6903 -2.99654 -60.7871 -21.7632 -27.6903 -21.7632 63.3992 GPRESSAVG: 3196000 49.3107 -1.51441 -24.2669 -2.55041 -61.0857 -22.8543 -29.6101 -19.7144 63.6882 TIMING: 3196000 CPU: 9549.66, 0.00299404/step Wall: 9549.66, 0.00299404/step, 1.50034 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: 3196000 742.0237 2119.8632 1929.7087 106.0783 -205790.1583 17856.4121 0.0000 0.0000 34069.2606 -148966.8116 297.5353 -183036.0722 -148875.6391 299.5443 -9.6855 22.5931 558796.3185 17.0930 17.3044 PRESSURE: 3196200 -5.12511 18.7972 -43.4672 18.796 -63.4959 178.662 -43.4678 178.662 5.01805 GPRESSURE: 3196200 8.68846 19.2303 11.6013 13.6842 12.6506 124.104 -160.865 109.088 14.7901 PRESSAVG: 3196200 6.66599 26.0501 -51.7336 26.0501 -54.0986 16.2941 -51.7336 16.294 18.5281 GPRESSAVG: 3196200 6.67928 26.1542 -52.9448 25.2146 -53.5257 14.467 -50.0035 16.0089 17.9576 TIMING: 3196200 CPU: 9550.26, 0.00303409/step Wall: 9550.26, 0.00303409/step, 1.52025 hours remaining, 207.667969 MB of memory in use. ENERGY: 3196200 785.5751 2089.0358 1945.9394 101.6962 -206081.0297 17684.1045 0.0000 0.0000 34429.4598 -149045.2188 300.6810 -183474.6787 -148946.9205 299.0915 -21.2010 12.0430 557453.4945 -9.6348 -9.6296 LDB: ============= START OF LOAD BALANCING ============== 9553.7 LDB: ============== END OF LOAD BALANCING =============== 9553.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9553.7 LDB: ============= START OF LOAD BALANCING ============== 9554 LDB: Largest compute 4820 load 0.028908 is 24.5% of average load 0.118054 LDB: Average compute 0.001745 is 1.5% of average load 0.118054 LDB: TIME 9554 LOAD: AVG 0.118054 MAX 0.209843 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.68 MB LDB: TIME 9554 LOAD: AVG 0.118054 MAX 0.209843 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.883 MB LDB: TIME 9554 LOAD: AVG 0.118054 MAX 0.209843 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.883 MB LDB: ============== END OF LOAD BALANCING =============== 9554 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9554.01 PRESSURE: 3196400 112.651 63.4168 -108.682 63.416 -102.347 -151.528 -108.682 -151.527 228.724 GPRESSURE: 3196400 114.601 81.996 -166.244 96.8502 -36.4742 -208.003 -86.1829 -48.6939 251.485 PRESSAVG: 3196400 -47.6776 21.4537 -2.86538 21.4536 -11.1796 22.0795 -2.8653 22.0797 33.3927 GPRESSAVG: 3196400 -48.0347 23.1401 -4.14573 21.1156 -11.6986 22.6569 -3.1016 21.9577 34.2779 TIMING: 3196400 CPU: 9550.88, 0.00307145/step Wall: 9550.88, 0.00307145/step, 1.5388 hours remaining, 207.187500 MB of memory in use. ENERGY: 3196400 773.5972 2014.8722 1940.3603 111.0381 -206044.0946 17923.4891 0.0000 0.0000 34430.5519 -148850.1858 300.6906 -183280.7377 -148754.4466 299.7683 79.6758 109.8706 557535.4227 -8.4882 -8.4851 PRESSURE: 3196600 -85.8453 -139.161 71.437 -139.161 -101.335 121.969 71.4372 121.97 3.94911 GPRESSURE: 3196600 -95.3083 -155.871 84.3852 -132.662 -6.85472 44.8413 18.7395 88.7317 39.5274 PRESSAVG: 3196600 48.5748 -38.0811 35.617 -38.0812 -2.02976 -60.8961 35.6171 -60.8961 -44.6797 GPRESSAVG: 3196600 48.2878 -39.4978 36.2181 -38.5724 -2.37765 -60.1725 33.5071 -59.8408 -44.3502 TIMING: 3196600 CPU: 9551.48, 0.00301401/step Wall: 9551.48, 0.00301401/step, 1.50985 hours remaining, 207.187500 MB of memory in use. ENERGY: 3196600 755.4403 2095.3413 1931.4742 108.9374 -205549.3078 17605.8193 0.0000 0.0000 34220.6609 -148831.6346 298.8575 -183052.2954 -148728.7781 300.3902 -61.0769 -20.8786 557005.8998 0.6218 0.5200 PRESSURE: 3196800 -18.3473 173.696 -58.3858 173.697 301.561 39.9755 -58.3853 39.9757 86.199 GPRESSURE: 3196800 -7.36054 151.867 -77.2022 106.654 313.805 39.3521 -112.103 65.644 151.411 PRESSAVG: 3196800 -24.4628 -25.4435 -4.5244 -25.4434 -2.7313 24.681 -4.52443 24.681 -0.0366991 GPRESSAVG: 3196800 -23.7788 -26.4101 -4.3393 -24.6719 -3.84711 24.3953 -3.74976 23.6964 0.403687 TIMING: 3196800 CPU: 9552.08, 0.00301196/step Wall: 9552.08, 0.00301196/step, 1.50866 hours remaining, 207.187500 MB of memory in use. ENERGY: 3196800 758.7673 2086.2756 1919.5196 103.3833 -205735.1082 17757.0286 0.0000 0.0000 34216.4891 -148893.6448 298.8211 -183110.1339 -148804.2088 300.3531 123.1376 152.6183 555963.7576 -9.0769 -9.0741 PRESSURE: 3197000 -0.811116 -91.7788 -97.8852 -91.7784 47.2385 -39.955 -97.8849 -39.9554 62.7126 GPRESSURE: 3197000 75.2528 -83.7925 -65.1053 -108.017 89.1354 60.6981 -58.4586 -41.5995 41.7358 PRESSAVG: 3197000 -29.012 -0.284251 16.6213 -0.284167 17.9331 3.71894 16.6213 3.71904 1.98396 GPRESSAVG: 3197000 -30.1384 0.780949 16.1896 1.00529 19.6697 4.48803 16.801 4.32899 0.961893 TIMING: 3197000 CPU: 9552.69, 0.00303725/step Wall: 9552.69, 0.00303725/step, 1.52116 hours remaining, 207.187500 MB of memory in use. ENERGY: 3197000 786.7206 1982.1138 1933.7407 105.5692 -206125.6931 17982.5118 0.0000 0.0000 34492.9145 -148842.1225 301.2352 -183335.0370 -148738.5417 299.8142 36.3800 68.7080 558171.0318 -3.0316 -3.1690 PRESSURE: 3197200 -257.081 -140.644 -92.6711 -140.644 -34.5671 4.85526 -92.67 4.85594 -33.9939 GPRESSURE: 3197200 -157.09 -139.179 -159.79 -110.802 -122.176 -8.15437 -49.2838 -17.672 48.6365 PRESSAVG: 3197200 37.382 37.6973 -15.2265 37.6974 48.4954 -1.72281 -15.2264 -1.7229 -97.2073 GPRESSAVG: 3197200 38.3587 35.5624 -15.0382 37.0426 47.5034 -2.78541 -14.467 -2.45332 -96.6022 TIMING: 3197200 CPU: 9553.3, 0.00304329/step Wall: 9553.3, 0.00304329/step, 1.52401 hours remaining, 207.187500 MB of memory in use. ENERGY: 3197200 767.7339 2135.6896 1926.5717 115.1869 -205831.8105 17720.3467 0.0000 0.0000 34401.0063 -148765.2755 300.4325 -183166.2818 -148673.5298 300.3254 -108.5474 -76.8766 558893.2252 -3.7766 -3.5800 PRESSURE: 3197400 136.22 -6.82232 94.9813 -6.82155 69.6934 -55.8727 94.9819 -55.8738 12.4877 GPRESSURE: 3197400 177.899 -42.0504 112.408 21.7592 89.2523 -52.6824 -20.6152 -91.2079 54.4903 PRESSAVG: 3197400 -85.005 -15.2996 -19.3857 -15.2996 55.8045 -6.78101 -19.3857 -6.78097 0.686184 GPRESSAVG: 3197400 -85.3331 -14.7077 -20.4394 -14.7559 56.1839 -7.7184 -19.0616 -4.63112 0.711632 TIMING: 3197400 CPU: 9553.9, 0.00300379/step Wall: 9553.9, 0.00300379/step, 1.50406 hours remaining, 207.187500 MB of memory in use. ENERGY: 3197400 744.9782 2052.0130 1929.2427 104.8760 -205956.9648 17930.5330 0.0000 0.0000 34392.4272 -148802.8948 300.3576 -183195.3219 -148707.9953 299.8313 72.8004 107.2138 558025.2881 -9.5048 -9.4792 PRESSURE: 3197600 -201.108 80.2026 -191.635 80.2014 186.802 178.317 -191.636 178.317 -90.8032 GPRESSURE: 3197600 -178.296 163.731 -219.995 37.5784 208.191 215.112 -201.793 123.536 -39.0103 PRESSAVG: 3197600 -50.5357 36.7819 6.09714 36.7819 28.6713 53.3809 6.09707 53.381 -0.535233 GPRESSAVG: 3197600 -49.7997 38.8857 4.84101 35.3745 29.7682 55.3557 7.57573 52.0502 -1.90669 TIMING: 3197600 CPU: 9554.5, 0.00301451/step Wall: 9554.5, 0.00301451/step, 1.50926 hours remaining, 207.187500 MB of memory in use. ENERGY: 3197600 760.6087 2046.2293 1944.7573 118.3320 -206009.9425 17826.5446 0.0000 0.0000 34306.5661 -149006.9045 299.6078 -183313.4706 -148907.8800 299.8638 -35.0362 -3.0383 558200.5359 -7.4665 -7.3127 PRESSURE: 3197800 -40.0207 59.0769 -128.057 59.0762 185.214 -53.9474 -128.057 -53.948 93.375 GPRESSURE: 3197800 -1.74403 103.285 -96.9602 101.365 184.024 -66.5658 -126.358 -51.9846 153.819 PRESSAVG: 3197800 -34.7941 18.5558 -54.5963 18.5556 46.307 -19.9537 -54.5964 -19.9537 -0.390908 GPRESSAVG: 3197800 -35.4277 18.5742 -55.6065 20.0131 46.3992 -19.774 -55.1131 -19.7404 0.263521 TIMING: 3197800 CPU: 9555.11, 0.00304918/step Wall: 9555.11, 0.00304918/step, 1.52645 hours remaining, 207.187500 MB of memory in use. ENERGY: 3197800 732.1049 2142.9028 1930.8435 104.4572 -206111.4801 17902.9806 0.0000 0.0000 34238.7366 -149059.4546 299.0154 -183298.1912 -148950.5118 299.6642 79.5227 112.0327 558188.4610 3.7073 3.7450 PRESSURE: 3198000 52.8981 -108.738 -153.134 -108.738 59.4865 38.3722 -153.135 38.3724 79.9824 GPRESSURE: 3198000 84.9804 -118.707 -109.273 -110.488 73.9026 22.1672 -131.777 86.5799 136.981 PRESSAVG: 3198000 -31.9293 -5.60249 -46.1706 -5.60245 82.6852 -4.82799 -46.1706 -4.82803 -6.24942 GPRESSAVG: 3198000 -31.7348 -5.2196 -44.4829 -5.91069 81.7084 -5.06412 -47.6768 -5.21421 -5.48658 TIMING: 3198000 CPU: 9555.72, 0.0030151/step Wall: 9555.72, 0.0030151/step, 1.50923 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: 3198000 763.1049 2140.8809 1938.5086 98.4864 -205868.4916 17721.1055 0.0000 0.0000 34307.7392 -148898.6661 299.6180 -183206.4053 -148805.8056 300.0589 64.1223 98.6215 557460.8462 14.8355 14.8290 PRESSURE: 3198200 -239.593 134.852 -56.404 134.852 -271.744 110.705 -56.4049 110.705 -149.801 GPRESSURE: 3198200 -243.861 141.637 -109.354 99.1514 -238.34 91.3842 -126.137 89.8098 -89.9666 PRESSAVG: 3198200 -21.1194 -26.9774 -21.1734 -26.9776 -3.87447 -23.1296 -21.1734 -23.1295 -0.502003 GPRESSAVG: 3198200 -22.2461 -27.4407 -22.3241 -28.3567 -3.6384 -23.8051 -21.2263 -23.1191 0.073839 TIMING: 3198200 CPU: 9556.32, 0.00304524/step Wall: 9556.32, 0.00304525/step, 1.52415 hours remaining, 207.187500 MB of memory in use. ENERGY: 3198200 785.7790 2126.0237 1945.2200 116.8550 -205663.5742 17453.7793 0.0000 0.0000 34385.4109 -148850.5062 300.2963 -183235.9172 -148750.0878 300.5503 -220.3794 -190.7227 559225.7249 -8.4986 -8.6036 PRESSURE: 3198400 -318.534 -39.5339 59.8423 -39.534 -248.311 -32.2831 59.8422 -32.2827 -89.4622 GPRESSURE: 3198400 -323.531 3.97771 34.9283 -121.234 -175.055 14.273 -12.0253 -68.6909 -67.8108 PRESSAVG: 3198400 31.9294 -28.3846 -28.8352 -28.3847 0.186103 26.5681 -28.8352 26.568 19.0662 GPRESSAVG: 3198400 32.7762 -28.2634 -28.8035 -27.3311 0.648464 27.6774 -27.9578 26.3348 17.8242 TIMING: 3198400 CPU: 9556.92, 0.002996/step Wall: 9556.92, 0.002996/step, 1.49933 hours remaining, 207.187500 MB of memory in use. ENERGY: 3198400 757.2296 2121.2658 1928.6814 116.2365 -205479.3609 17456.1934 0.0000 0.0000 34427.4398 -148672.3146 300.6634 -183099.7543 -148572.1456 301.7263 -218.7690 -188.7989 559315.9735 17.0606 17.0829 PRESSURE: 3198600 -122.574 79.2427 70.5458 79.2416 -114.982 -86.2432 70.5461 -86.2436 -163.94 GPRESSURE: 3198600 -69.973 55.5489 47.3369 63.5146 -110.165 -83.6582 30.0482 -33.1927 -119.403 PRESSAVG: 3198600 -35.5937 16.5717 17.9228 16.5717 4.10576 8.73852 17.9227 8.73852 -30.287 GPRESSAVG: 3198600 -34.777 15.0727 18.765 18.9399 2.30575 8.31641 18.239 8.63405 -29.4623 TIMING: 3198600 CPU: 9557.53, 0.00300616/step Wall: 9557.53, 0.00300616/step, 1.50425 hours remaining, 207.187500 MB of memory in use. ENERGY: 3198600 756.6549 2152.3972 1920.7706 111.0747 -205593.8681 17429.8589 0.0000 0.0000 34481.8391 -148741.2727 301.1385 -183223.1118 -148645.6014 300.3463 -133.8318 -99.8470 558764.7685 -20.5917 -20.6445 PRESSURE: 3198800 139.005 27.1865 -27.8953 27.1863 -114.208 -42.5697 -27.8952 -42.5706 39.0315 GPRESSURE: 3198800 184.143 7.5456 0.303345 -3.38756 -55.0599 -60.5899 -10.2938 29.4659 53.1573 PRESSAVG: 3198800 70.958 1.93178 -15.8343 1.93172 -57.6327 -55.8401 -15.8343 -55.8401 -2.76896 GPRESSAVG: 3198800 70.4549 1.76434 -14.028 2.5852 -56.5041 -57.9709 -16.8496 -53.9089 -3.32262 TIMING: 3198800 CPU: 9558.13, 0.00302075/step Wall: 9558.13, 0.00302075/step, 1.51138 hours remaining, 207.187500 MB of memory in use. ENERGY: 3198800 730.5181 2082.1140 1918.2710 100.3929 -205865.1505 17742.6136 0.0000 0.0000 34427.3101 -148863.9308 300.6623 -183291.2409 -148765.5838 300.8897 21.2762 60.7467 558371.3307 3.5188 3.5427 PRESSURE: 3199000 105.526 184.131 18.8897 184.131 24.15 97.0135 18.8898 97.0124 -91.0308 GPRESSURE: 3199000 144.754 273.403 57.8178 147.109 17.1769 100.247 -75.0167 61.1857 -33.5512 PRESSAVG: 3199000 16.1454 22.6552 -42.5473 22.6552 -42.9198 19.835 -42.5473 19.8351 13.414 GPRESSAVG: 3199000 14.8311 24.3163 -44.3509 18.9834 -42.0118 21.1488 -42.0806 18.6849 14.2307 TIMING: 3199000 CPU: 9558.74, 0.00306474/step Wall: 9558.74, 0.00306474/step, 1.53322 hours remaining, 207.187500 MB of memory in use. ENERGY: 3199000 683.5798 2092.0573 1943.5006 110.2089 -205833.7115 17754.6609 0.0000 0.0000 34500.5254 -148749.1785 301.3017 -183249.7039 -148651.9513 300.3261 12.8817 42.7932 558729.6849 -4.4535 -4.3167 PRESSURE: 3199200 -14.7253 165.302 -204.283 165.302 367.996 80.1366 -204.284 80.1359 4.68033 GPRESSURE: 3199200 56.5184 141.967 -241.749 165.605 331.389 93.0044 -188.718 55.3591 66.2391 PRESSAVG: 3199200 59.135 28.0236 -63.9785 28.0237 -50.2864 22.0193 -63.9785 22.0194 6.34909 GPRESSAVG: 3199200 60.2603 28.6277 -64.7815 29.5611 -51.6886 22.5429 -63.0878 20.7082 6.81519 TIMING: 3199200 CPU: 9559.35, 0.00304951/step Wall: 9559.35, 0.00304951/step, 1.52544 hours remaining, 207.187500 MB of memory in use. ENERGY: 3199200 711.9346 2094.6972 1947.8622 101.7235 -205859.9815 17927.7140 0.0000 0.0000 34143.4079 -148932.6420 298.1829 -183076.0500 -148838.5552 300.2596 119.3172 151.3823 558097.0406 5.0659 5.1290 PRESSURE: 3199400 -220.264 84.9942 -85.2486 84.9944 9.72774 9.92242 -85.2488 9.9245 -6.26598 GPRESSURE: 3199400 -188.085 118.614 -37.6661 104.65 39.1297 123.158 -50.1384 4.3107 10.0842 PRESSAVG: 3199400 -45.6363 62.5646 -39.6555 62.5647 47.2399 -25.9827 -39.6554 -25.9826 -15.3503 GPRESSAVG: 3199400 -45.8515 61.1117 -38.4983 62.586 47.9675 -25.6375 -42.6757 -24.1167 -16.3186 TIMING: 3199400 CPU: 9559.96, 0.00303145/step Wall: 9559.96, 0.00303145/step, 1.51623 hours remaining, 207.187500 MB of memory in use. ENERGY: 3199400 733.1346 2098.0015 1965.5099 119.0709 -206106.6467 17762.4003 0.0000 0.0000 34370.4194 -149058.1101 300.1654 -183428.5295 -148962.6872 299.6309 -72.2675 -46.2903 558382.9715 -4.5822 -4.7342 PRESSURE: 3199600 -4.05684 36.4716 -183.638 36.4706 -246.219 -122.73 -183.637 -122.73 -235.729 GPRESSURE: 3199600 -5.63463 84.9953 -155.817 66.2119 -208.867 -174.715 -144.836 -97.3601 -180.831 PRESSAVG: 3199600 -20.5199 31.5597 -8.01251 31.5597 14.9789 -31.5725 -8.01241 -31.5725 11.2661 GPRESSAVG: 3199600 -19.6458 29.2611 -8.4829 32.4343 14.6912 -31.1532 -5.01258 -30.8231 10.7861 TIMING: 3199600 CPU: 9560.57, 0.00305322/step Wall: 9560.57, 0.00305322/step, 1.52695 hours remaining, 207.187500 MB of memory in use. ENERGY: 3199600 745.9511 2091.5775 1979.7190 111.5610 -205788.3899 17499.8866 0.0000 0.0000 34487.8699 -148871.8247 301.1911 -183359.6947 -148774.4011 299.8688 -162.0018 -131.7776 558361.0848 1.9084 1.9438 PRESSURE: 3199800 -224.499 223.969 115.867 223.97 -211.351 -120.192 115.867 -120.192 -221.878 GPRESSURE: 3199800 -176.051 225.508 46.988 237.67 -207.755 -147.547 88.0418 -117.292 -179.909 PRESSAVG: 3199800 -47.1979 55.3688 -63.4807 55.3689 85.4337 38.0917 -63.4806 38.0917 12.1786 GPRESSAVG: 3199800 -48.2627 58.2526 -61.3354 54.8631 85.7338 38.1668 -65.1122 38.0942 13.2716 TIMING: 3199800 CPU: 9561.18, 0.00304088/step Wall: 9561.18, 0.00304088/step, 1.52061 hours remaining, 207.187500 MB of memory in use. ENERGY: 3199800 772.8823 2145.2139 1963.0135 115.0284 -205490.7642 17443.8598 0.0000 0.0000 34049.6454 -149001.1209 297.3640 -183050.7664 -148912.3675 300.5074 -219.2431 -187.9051 557718.8975 16.8048 16.9142 PRESSURE: 3200000 -224.637 -57.7761 223.401 -57.777 112.948 -64.9553 223.401 -64.9559 -117.276 GPRESSURE: 3200000 -122.076 -96.0534 156.8 -68.9194 43.2394 -63.3014 275.896 -69.3571 -51.9391 PRESSAVG: 3200000 18.4202 39.341 11.7576 39.341 53.6196 -54.5308 11.7576 -54.5307 -44.7105 GPRESSAVG: 3200000 17.9719 41.4368 8.87589 38.0885 52.4506 -54.7668 13.5091 -57.0232 -43.0467 TIMING: 3200000 CPU: 9561.78, 0.00302442/step Wall: 9561.78, 0.00302442/step, 1.51221 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: 3200000 757.7557 2066.3999 1953.7455 110.7470 -205991.2889 17763.4943 0.0000 0.0000 34305.0485 -149034.0980 299.5945 -183339.1465 -148938.5838 299.6580 -76.3216 -43.5918 557819.5022 9.1097 9.1253 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3200000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3200000 WRITING COORDINATES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3200200 -223.161 55.6217 -140.096 55.6216 113.217 133.106 -140.097 133.106 277.162 GPRESSURE: 3200200 -165.339 88.5735 -172.735 24.682 144.831 124.091 -82.4619 38.629 288.402 PRESSAVG: 3200200 -17.6611 -7.08125 -25.961 -7.08133 36.6483 5.01508 -25.961 5.01502 -10.8062 GPRESSAVG: 3200200 -16.4928 -10.3369 -26.8899 -5.95594 37.8193 4.49539 -26.4498 5.902 -12.8475 TIMING: 3200200 CPU: 9562.45, 0.00334958/step Wall: 9562.45, 0.00334958/step, 1.67461 hours remaining, 207.187500 MB of memory in use. ENERGY: 3200200 757.2592 2132.8033 1976.3430 112.3066 -206122.7936 17875.4641 0.0000 0.0000 34227.2272 -149041.3904 298.9149 -183268.6175 -148945.5459 299.1403 55.7393 89.2981 558438.3082 2.7270 2.8264 LDB: ============= START OF LOAD BALANCING ============== 9565.89 LDB: ============== END OF LOAD BALANCING =============== 9565.89 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9565.89 LDB: ============= START OF LOAD BALANCING ============== 9566.19 LDB: Largest compute 4820 load 0.029171 is 24.7% of average load 0.118100 LDB: Average compute 0.001742 is 1.5% of average load 0.118100 LDB: TIME 9566.19 LOAD: AVG 0.1181 MAX 0.208467 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.926 MB LDB: TIME 9566.19 LOAD: AVG 0.1181 MAX 0.208467 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.988 MB LDB: TIME 9566.19 LOAD: AVG 0.1181 MAX 0.208467 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9566.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9566.2 PRESSURE: 3200400 -6.94012 323.383 -151.342 323.383 -56.622 -125.522 -151.341 -125.523 90.232 GPRESSURE: 3200400 45.4508 371.055 -148.513 298.796 1.46521 -92.5368 -114.702 -150.702 84.9896 PRESSAVG: 3200400 -39.9131 10.1884 -35.7907 10.1884 26.4098 24.2488 -35.7906 24.2487 13.7567 GPRESSAVG: 3200400 -40.2467 10.5271 -33.7568 8.49866 25.9533 22.6322 -35.2866 25.4795 14.7981 TIMING: 3200400 CPU: 9563.07, 0.0030992/step Wall: 9563.07, 0.0030992/step, 1.54925 hours remaining, 205.738281 MB of memory in use. ENERGY: 3200400 733.6858 2060.3513 1950.8438 116.6400 -206291.9255 17900.5015 0.0000 0.0000 34449.2003 -149080.7029 300.8534 -183529.9031 -148977.8363 299.4537 8.8899 43.9685 557593.3243 0.0845 0.1682 PRESSURE: 3200600 -81.0372 121.545 -52.5124 121.545 316.906 61.9111 -52.5117 61.9103 -226.477 GPRESSURE: 3200600 -88.1015 155.735 43.5334 58.4907 337.039 66.7412 -57.5811 125.713 -137.016 PRESSAVG: 3200600 9.25417 44.0922 -36.0943 44.0922 47.5721 1.3506 -36.0942 1.35073 -19.3762 GPRESSAVG: 3200600 9.63392 45.6443 -36.233 44.1517 48.3543 3.4329 -36.6135 1.70867 -20.6428 TIMING: 3200600 CPU: 9563.67, 0.00301224/step Wall: 9563.67, 0.00301225/step, 1.50562 hours remaining, 205.738281 MB of memory in use. ENERGY: 3200600 736.4317 2096.2280 1940.7125 98.0812 -206208.4469 18032.9765 0.0000 0.0000 34434.0451 -148869.9721 300.7211 -183304.0171 -148773.3063 299.9864 3.1306 37.3073 557371.9590 12.4834 12.4485 PRESSURE: 3200800 -24.8293 20.1225 -9.14952 20.1235 -181.188 -138.004 -9.14973 -138.005 -370.668 GPRESSURE: 3200800 -32.5524 -14.5913 -47.6164 126.007 -116.838 -137.567 102.074 -81.7593 -304.913 PRESSAVG: 3200800 13.6061 57.6595 -42.498 57.6595 53.7989 -35.6397 -42.498 -35.6397 -51.6588 GPRESSAVG: 3200800 12.6988 57.2513 -43.5205 59.0188 52.5515 -34.9356 -42.1938 -35.8284 -49.2438 TIMING: 3200800 CPU: 9564.28, 0.0030239/step Wall: 9564.28, 0.0030239/step, 1.51128 hours remaining, 205.738281 MB of memory in use. ENERGY: 3200800 742.4327 2090.6836 1952.8295 105.9870 -205707.0601 17502.4127 0.0000 0.0000 34235.2806 -149077.4340 298.9852 -183312.7146 -148973.0610 300.1058 -192.2286 -151.4345 558568.0319 5.2488 5.3355 PRESSURE: 3201000 -266.458 110.547 30.2964 110.548 166.135 39.8107 30.2968 39.8109 -55.5755 GPRESSURE: 3201000 -238.412 99.229 54.153 117.508 222.648 48.4548 -38.1197 64.9132 -62.7647 PRESSAVG: 3201000 34.4509 7.05029 40.0434 7.05028 -0.0908368 -48.4397 40.0434 -48.4398 -22.3839 GPRESSAVG: 3201000 33.9648 6.35373 40.015 7.4317 1.0092 -52.4985 40.1782 -46.4112 -23.3794 TIMING: 3201000 CPU: 9564.88, 0.00301337/step Wall: 9564.88, 0.00301337/step, 1.50585 hours remaining, 205.738281 MB of memory in use. ENERGY: 3201000 690.8027 2117.3423 1966.0521 116.7150 -205975.3757 17593.7112 0.0000 0.0000 34370.9380 -149119.8144 300.1700 -183490.7524 -149033.6103 299.7210 -51.9662 -26.1763 558322.1977 3.9920 3.8649 PRESSURE: 3201200 -111.636 -12.6247 -127.417 -12.624 -157.175 4.38395 -127.417 4.38523 -107.201 GPRESSURE: 3201200 -79.952 38.9143 -105.145 -42.238 -86.0824 -91.235 -161.727 5.93788 -115.179 PRESSAVG: 3201200 -54.772 45.9116 -26.2559 45.9117 51.1723 8.17895 -26.2559 8.17908 -15.2062 GPRESSAVG: 3201200 -54.7742 46.6709 -25.6881 47.4395 51.2588 9.03733 -26.9135 7.16943 -15.7431 TIMING: 3201200 CPU: 9565.49, 0.00302148/step Wall: 9565.49, 0.00302148/step, 1.50973 hours remaining, 205.738281 MB of memory in use. ENERGY: 3201200 724.9553 2056.1352 1971.5426 111.9521 -205860.9718 17538.0154 0.0000 0.0000 34271.5235 -149186.8476 299.3017 -183458.3711 -149087.8702 299.5138 -125.3370 -93.7379 557680.0983 -6.2686 -6.4195 PRESSURE: 3201400 -341.319 115.73 120.528 115.73 65.277 -28.0755 120.528 -28.0751 -104.192 GPRESSURE: 3201400 -281.908 76.9099 100.97 116.591 87.9396 -36.6348 97.4211 -63.3669 -79.39 PRESSAVG: 3201400 86.3197 12.2439 -11.2593 12.244 21.0903 -11.3631 -11.2593 -11.3629 -33.962 GPRESSAVG: 3201400 86.5271 10.0548 -13.3163 12.6339 20.566 -9.82934 -11.1833 -12.6822 -33.7934 TIMING: 3201400 CPU: 9566.09, 0.00300473/step Wall: 9566.09, 0.00300473/step, 1.5012 hours remaining, 205.738281 MB of memory in use. ENERGY: 3201400 735.5324 2067.9454 1921.6127 104.9896 -205635.8338 17573.0737 0.0000 0.0000 34391.2280 -148841.4520 300.3471 -183232.6800 -148752.8433 299.7771 -126.7448 -91.1196 558304.5345 24.4826 24.4332 PRESSURE: 3201600 128.234 -21.7404 -16.3612 -21.7401 36.697 -231.548 -16.3623 -231.549 -70.8468 GPRESSURE: 3201600 140.697 -33.0072 -55.9061 53.9131 79.3334 -226.349 8.06922 -166.759 -41.5975 PRESSAVG: 3201600 -34.9302 18.0513 -14.0425 18.0513 10.9069 17.3252 -14.0426 17.3251 61.0096 GPRESSAVG: 3201600 -34.8775 21.3298 -13.8559 16.4812 10.0527 16.3503 -11.8426 18.3506 61.9934 TIMING: 3201600 CPU: 9566.69, 0.00300932/step Wall: 9566.69, 0.00300932/step, 1.50332 hours remaining, 205.738281 MB of memory in use. ENERGY: 3201600 700.7103 2084.2618 1973.8521 107.8731 -205722.1908 17663.8876 0.0000 0.0000 34399.6861 -148791.9199 300.4210 -183191.6059 -148691.2987 300.6176 31.3613 59.4778 558430.4448 12.3288 12.3895 PRESSURE: 3201800 -259.745 74.5644 -43.3655 74.5652 -150.66 -139.174 -43.366 -139.173 -20.6705 GPRESSURE: 3201800 -232.309 21.1425 -93.1873 -10.265 -97.7075 -84.7072 -17.2724 -146.94 -6.05306 PRESSAVG: 3201800 -31.029 6.04067 31.0329 6.04067 -7.89068 19.129 31.0328 19.129 8.11785 GPRESSAVG: 3201800 -30.8224 4.93358 34.2598 6.53984 -7.61171 20.3093 27.385 18.0892 7.80893 TIMING: 3201800 CPU: 9567.29, 0.00302786/step Wall: 9567.29, 0.00302786/step, 1.51241 hours remaining, 205.738281 MB of memory in use. ENERGY: 3201800 748.7811 2097.7132 1944.6659 109.8610 -206031.7923 17659.2670 0.0000 0.0000 34517.3988 -148954.1052 301.4490 -183471.5040 -148860.9245 299.5642 -143.6919 -112.0232 558633.4085 -10.2673 -10.2084 PRESSURE: 3202000 -181.254 -99.3055 18.3427 -99.3058 -235.018 31.436 18.3412 31.4355 -132.095 GPRESSURE: 3202000 -120.962 -121.866 20.6614 -26.1719 -235.118 50.6251 -12.1693 17.8365 -87.4548 PRESSAVG: 3202000 -7.74719 -11.4464 15.2655 -11.4464 34.2691 32.5937 15.2655 32.5937 -33.9042 GPRESSAVG: 3202000 -6.81261 -11.4486 13.1578 -11.2676 33.2639 33.9331 17.331 33.5609 -34.046 TIMING: 3202000 CPU: 9567.9, 0.00302748/step Wall: 9567.9, 0.00302748/step, 1.51206 hours remaining, 205.738281 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: 3202000 726.9094 2082.0818 1966.2957 107.5404 -205425.4780 17420.4752 0.0000 0.0000 34166.6431 -148955.5325 298.3858 -183122.1756 -148864.4357 299.7204 -182.7890 -147.8451 559689.6318 -2.4608 -2.5316 PRESSURE: 3202200 -57.6896 -34.9337 56.5853 -34.934 294.042 -123.175 56.5855 -123.174 201.006 GPRESSURE: 3202200 -46.3861 6.91964 71.7437 -63.6946 355.317 -139.938 89.1302 -94.9029 227.086 PRESSAVG: 3202200 34.292 14.9169 23.7158 14.9168 -4.53135 44.9815 23.7158 44.9816 -27.7779 GPRESSAVG: 3202200 32.9529 15.0279 24.1835 14.7597 -2.37304 42.2861 22.9451 45.5219 -28.607 TIMING: 3202200 CPU: 9568.5, 0.00300682/step Wall: 9568.5, 0.00300682/step, 1.50157 hours remaining, 205.738281 MB of memory in use. ENERGY: 3202200 750.7548 2090.2072 1935.0218 127.8782 -205880.3338 17775.3198 0.0000 0.0000 34143.9745 -149057.1773 298.1878 -183201.1518 -148966.1645 299.3549 145.7864 178.6724 557987.7227 0.6609 0.6576 PRESSURE: 3202400 -70.4788 -130.528 24.9397 -130.528 -373.549 21.0287 24.9393 21.0271 -170.513 GPRESSURE: 3202400 -18.6957 -129.846 2.69442 -187.462 -319.151 52.5019 33.1282 28.9728 -186.627 PRESSAVG: 3202400 -26.4019 32.9681 -15.602 32.9681 18.3563 21.1785 -15.6018 21.1786 24.4181 GPRESSAVG: 3202400 -27.0004 33.4462 -17.2496 32.4851 17.9749 24.3839 -13.9643 19.7827 25.1449 TIMING: 3202400 CPU: 9569.11, 0.00303166/step Wall: 9569.11, 0.00303166/step, 1.51381 hours remaining, 205.738281 MB of memory in use. ENERGY: 3202400 757.2849 2116.3403 1950.0906 117.9558 -206054.4518 17594.4529 0.0000 0.0000 34357.1830 -149161.1444 300.0498 -183518.3273 -149059.2570 299.7743 -204.8468 -174.8248 558345.2949 5.4575 5.3731 PRESSURE: 3202600 57.0638 80.8532 -213.211 80.8531 -162.914 36.6749 -213.212 36.6752 -34.2805 GPRESSURE: 3202600 60.8258 147.562 -252.166 86.0224 -97.2145 -9.10746 -273.337 66.7929 3.08227 PRESSAVG: 3202600 -60.4241 6.66476 -56.2726 6.66481 31.9767 23.4619 -56.2726 23.462 -38.7686 GPRESSAVG: 3202600 -60.1844 7.57665 -56.4834 7.65155 31.944 21.9979 -57.1564 25.0131 -39.0811 TIMING: 3202600 CPU: 9569.71, 0.00302986/step Wall: 9569.71, 0.00302986/step, 1.51274 hours remaining, 205.738281 MB of memory in use. ENERGY: 3202600 749.5024 2065.9000 1928.8932 113.3660 -206246.6086 17830.8874 0.0000 0.0000 34170.8719 -149387.1877 298.4227 -183558.0596 -149292.6615 298.9335 -46.7104 -11.1022 558625.3904 -22.4053 -22.4405 PRESSURE: 3202800 46.8774 0.98985 -77.2202 0.991198 -174.793 18.5742 -77.2197 18.5749 -186.157 GPRESSURE: 3202800 68.7927 -18.5761 -56.3815 -9.47265 -142.41 -23.676 -15.1427 52.1054 -146.758 PRESSAVG: 3202800 43.4807 -23.9523 -115.355 -23.9524 -46.2675 71.9969 -115.355 71.9968 9.45391 GPRESSAVG: 3202800 43.9535 -25.8576 -112.7 -22.7082 -47.2064 74.2215 -114.019 70.373 9.98605 TIMING: 3202800 CPU: 9570.32, 0.00303797/step Wall: 9570.32, 0.00303797/step, 1.51662 hours remaining, 205.738281 MB of memory in use. ENERGY: 3202800 710.9888 2106.1015 1962.9001 125.7910 -206214.8373 17732.1265 0.0000 0.0000 34159.7712 -149417.1582 298.3258 -183576.9294 -149318.5511 298.7400 -104.6909 -73.4582 557890.2112 2.2224 2.2444 PRESSURE: 3203000 -217.628 -293.574 -70.3862 -293.574 32.4245 55.5483 -70.3846 55.5487 100.817 GPRESSURE: 3203000 -171.269 -280.041 -52.5795 -210.653 67.1553 119.779 -40.9631 146.309 118.177 PRESSAVG: 3203000 -6.75389 38.6375 -14.2505 38.6375 14.8246 -5.85671 -14.2505 -5.85673 -42.5797 GPRESSAVG: 3203000 -6.13052 40.2459 -13.2389 37.6499 14.1917 -9.84073 -17.7818 -3.21871 -42.5954 TIMING: 3203000 CPU: 9570.93, 0.00305341/step Wall: 9570.93, 0.00305341/step, 1.52416 hours remaining, 205.738281 MB of memory in use. ENERGY: 3203000 723.7948 2099.0630 1935.2495 114.7429 -206729.3764 17960.1653 0.0000 0.0000 34284.0245 -149612.3364 299.4109 -183896.3609 -149520.5242 298.8309 -28.1290 4.6877 556586.4142 -11.5030 -11.5114 PRESSURE: 3203200 -106 26.8469 101.395 26.8463 -455.252 46.2386 101.396 46.2384 -75.4712 GPRESSURE: 3203200 -87.8956 90.8177 135.058 -0.110305 -382.931 118.068 105.434 13.1209 -61.139 PRESSAVG: 3203200 -1.96027 -4.90246 11.2682 -4.90257 60.0533 -40.1089 11.2681 -40.109 -14.0141 GPRESSAVG: 3203200 -2.83885 -5.84273 8.25919 -4.8148 62.0365 -37.1105 12.6869 -43.2967 -15.5314 TIMING: 3203200 CPU: 9571.53, 0.00301211/step Wall: 9571.53, 0.00301211/step, 1.50338 hours remaining, 205.738281 MB of memory in use. ENERGY: 3203200 786.4196 2058.8626 1923.4774 101.0803 -206541.5211 17793.1452 0.0000 0.0000 34150.0972 -149728.4388 298.2413 -183878.5360 -149633.6778 298.1962 -212.2412 -177.3220 557918.4074 14.6930 14.5554 PRESSURE: 3203400 -303.612 -76.0844 -158.495 -76.0853 108.461 331.515 -158.496 331.517 98.3585 GPRESSURE: 3203400 -295.925 -62.6242 -75.9853 -65.8935 186.011 345.797 -145.319 291.913 106.652 PRESSAVG: 3203400 -7.90886 -30.4761 -21.4471 -30.476 32.378 27.7361 -21.4471 27.7361 25.5779 GPRESSAVG: 3203400 -8.24515 -29.6948 -20.8598 -31.0805 30.7919 26.9769 -21.5785 29.4188 26.8934 TIMING: 3203400 CPU: 9572.14, 0.0030384/step Wall: 9572.14, 0.0030384/step, 1.51633 hours remaining, 205.738281 MB of memory in use. ENERGY: 3203400 749.2286 2083.7427 1938.2706 115.5647 -206870.0578 17947.1166 0.0000 0.0000 34225.2597 -149810.8749 298.8977 -184036.1346 -149713.7401 297.5816 -32.2642 -1.0873 557280.6639 16.6823 16.4800 PRESSURE: 3203600 74.4497 -223.056 53.6223 -223.057 224.463 6.04607 53.6223 6.04627 504.738 GPRESSURE: 3203600 197.811 -235.409 130.001 -175.437 210.675 9.59685 18.8528 -31.2241 503.738 PRESSAVG: 3203600 -68.5951 6.95483 -50.5216 6.95478 -26.0895 29.7379 -50.5216 29.7379 105.106 GPRESSAVG: 3203600 -68.7676 9.1406 -49.1419 6.32384 -24.4869 28.4016 -51.1803 29.1528 103.755 TIMING: 3203600 CPU: 9572.75, 0.00302983/step Wall: 9572.75, 0.00302983/step, 1.51188 hours remaining, 205.738281 MB of memory in use. ENERGY: 3203600 765.8115 2123.2353 1959.3153 114.4291 -207256.1036 18505.0934 0.0000 0.0000 34168.9890 -149619.2299 298.4063 -183788.2190 -149524.4144 298.2971 267.8836 304.0746 556031.9441 3.4737 3.5003 PRESSURE: 3203800 10.5658 29.5702 12.0075 29.5695 -130.916 -147.362 12.0061 -147.362 -0.777927 GPRESSURE: 3203800 40.6329 57.4404 -15.4306 53.456 -111.37 -253.819 22.9105 -90.0009 38.2881 PRESSAVG: 3203800 22.6416 67.2888 12.7677 67.2888 -3.38364 -54.932 12.7677 -54.932 39.9484 GPRESSAVG: 3203800 23.0133 65.8818 11.2268 67.0959 -4.75637 -54.4778 12.4226 -55.8495 40.7376 TIMING: 3203800 CPU: 9573.35, 0.00303073/step Wall: 9573.35, 0.00303073/step, 1.51216 hours remaining, 205.738281 MB of memory in use. ENERGY: 3203800 762.3140 2085.8879 1952.7366 103.7785 -206650.8233 17965.1904 0.0000 0.0000 34147.5633 -149633.3525 298.2192 -183780.9159 -149535.5500 298.4153 -40.3760 -10.8162 557728.8151 19.7355 19.6648 PRESSURE: 3204000 -140.619 -33.9176 -55.8787 -33.9177 16.6814 -48.6286 -55.8785 -48.6303 6.49406 GPRESSURE: 3204000 -104.516 -85.1125 -18.7341 -41.2721 64.3232 -63.2437 -79.5027 -41.5135 17.9041 PRESSAVG: 3204000 -38.5587 -6.38547 15.1586 -6.38537 -14.0119 -79.1763 15.1586 -79.1763 -1.38807 GPRESSAVG: 3204000 -38.7465 -6.98059 17.32 -3.89698 -13.5859 -76.8799 15.5382 -77.9955 -1.51767 TIMING: 3204000 CPU: 9573.96, 0.00303646/step Wall: 9573.96, 0.00303646/step, 1.51486 hours remaining, 205.738281 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: 3204000 697.0469 2111.6068 1926.7570 110.2753 -206420.8405 17863.7444 0.0000 0.0000 34314.2557 -149397.1545 299.6749 -183711.4101 -149310.2331 298.4842 -39.1477 -7.4297 558714.4759 -17.9862 -17.9500 PRESSURE: 3204200 -54.0464 -25.9731 -68.7007 -25.9729 29.4547 49.2475 -68.7004 49.2472 128.022 GPRESSURE: 3204200 2.31778 -61.2346 -93.014 -40.9204 92.7607 19.3421 -40.4917 68.404 108.126 PRESSAVG: 3204200 -83.6359 -3.34232 -18.8517 -3.34244 32.0654 -52.205 -18.8518 -52.2051 28.2911 GPRESSAVG: 3204200 -82.7956 0.396229 -21.8063 -7.17346 33.1107 -55.6785 -18.2347 -51.0427 26.7771 TIMING: 3204200 CPU: 9574.57, 0.00306287/step Wall: 9574.57, 0.00306287/step, 1.52786 hours remaining, 205.738281 MB of memory in use. ENERGY: 3204200 759.8364 2087.3574 1946.8305 109.5655 -206783.0582 18125.8206 0.0000 0.0000 34073.3669 -149680.2810 297.5712 -183753.6479 -149585.4920 298.7165 34.4767 67.7349 558712.5922 -7.7598 -7.6359 LDB: ============= START OF LOAD BALANCING ============== 9578.01 LDB: ============== END OF LOAD BALANCING =============== 9578.01 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9578.01 LDB: ============= START OF LOAD BALANCING ============== 9578.31 LDB: Largest compute 4820 load 0.029242 is 24.8% of average load 0.118080 LDB: Average compute 0.001746 is 1.5% of average load 0.118080 LDB: TIME 9578.31 LOAD: AVG 0.11808 MAX 0.211504 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.488 MB LDB: TIME 9578.31 LOAD: AVG 0.11808 MAX 0.211504 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.488 MB LDB: TIME 9578.31 LOAD: AVG 0.11808 MAX 0.211504 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.488 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9578.32 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9578.32 PRESSURE: 3204400 -239.378 61.5434 -0.442646 61.5438 -64.7781 15.2854 -0.443085 15.2866 -316.669 GPRESSURE: 3204400 -213.093 102.062 19.4453 17.9219 -56.0509 76.1806 -76.6415 -19.8093 -261.097 PRESSAVG: 3204400 -17.434 -29.2109 -28.3607 -29.2109 -11.0186 -19.1748 -28.3608 -19.1748 9.72478 GPRESSAVG: 3204400 -17.3691 -33.1976 -27.9321 -26.0266 -12.0763 -18.6439 -27.6498 -21.2701 10.4641 TIMING: 3204400 CPU: 9575.19, 0.00308557/step Wall: 9575.19, 0.00308556/step, 1.53901 hours remaining, 205.941406 MB of memory in use. ENERGY: 3204400 777.3479 2078.4654 1943.2915 118.1339 -206593.7669 17670.8692 0.0000 0.0000 34240.5176 -149765.1415 299.0310 -184005.6591 -149666.7282 297.9683 -206.9417 -176.7471 557094.1498 -6.2426 -6.3271 PRESSURE: 3204600 -78.3361 48.2909 3.49198 48.2906 -153.346 -156.538 3.49177 -156.538 -145.17 GPRESSURE: 3204600 -46.1276 66.014 3.19402 18.388 -118.701 -126.942 35.6711 -151.101 -111.171 PRESSAVG: 3204600 1.0055 27.0012 -43.2303 27.0012 -34.1276 -50.3308 -43.2301 -50.3308 39.4957 GPRESSAVG: 3204600 1.37724 28.343 -41.2086 25.6858 -34.4905 -48.5515 -44.6685 -50.3535 39.9755 TIMING: 3204600 CPU: 9575.8, 0.00302846/step Wall: 9575.8, 0.00302846/step, 1.51036 hours remaining, 206.144531 MB of memory in use. ENERGY: 3204600 750.4256 2106.6519 1946.2057 104.9284 -206416.3238 17570.8295 0.0000 0.0000 34257.8939 -149679.3889 299.1827 -183937.2828 -149588.6862 298.7887 -125.6173 -91.9998 554733.7985 2.1245 2.2874 PRESSURE: 3204800 -289.125 -3.06453 -6.71515 -3.06465 -80.6058 -48.6381 -6.71566 -48.6381 95.1292 GPRESSURE: 3204800 -306.168 -26.4229 0.32093 -74.0043 9.21877 46.1208 -28.3123 -128.856 121.444 PRESSAVG: 3204800 -75.1623 45.3506 -38.2818 45.3507 19.3808 -54.374 -38.2818 -54.374 32.1718 GPRESSAVG: 3204800 -74.9719 45.1232 -39.3984 45.0499 19.792 -53.4175 -39.3524 -54.4249 31.7761 TIMING: 3204800 CPU: 9576.4, 0.00301481/step Wall: 9576.4, 0.00301481/step, 1.50338 hours remaining, 206.144531 MB of memory in use. ENERGY: 3204800 743.1710 2084.8151 1938.8592 115.8260 -206360.5617 17674.4750 0.0000 0.0000 33961.1062 -149842.3091 296.5908 -183803.4153 -149743.5818 297.7484 -91.5339 -58.5015 556034.5671 -7.8699 -7.8013 PRESSURE: 3205000 255.584 -28.2181 176.202 -28.2196 -25.0138 -124.984 176.201 -124.983 -19.8922 GPRESSURE: 3205000 282.064 -91.0632 144.479 84.1849 23.6425 -118.531 107.377 -59.2374 -4.22118 PRESSAVG: 3205000 -13.5043 7.06484 -61.201 7.06493 -38.3104 -65.2738 -61.2009 -65.2737 -14.1988 GPRESSAVG: 3205000 -14.0367 6.21594 -61.6026 7.93061 -37.8617 -68.0386 -58.762 -63.3658 -14.5291 TIMING: 3205000 CPU: 9577, 0.00300291/step Wall: 9577, 0.00300291/step, 1.49728 hours remaining, 206.144531 MB of memory in use. ENERGY: 3205000 728.5821 2136.7142 1949.5703 130.5465 -207005.2772 18056.2967 0.0000 0.0000 34085.9402 -149917.6273 297.6810 -184003.5675 -149817.9794 298.0697 70.2259 100.4952 557686.6384 -22.0045 -22.1425 PRESSURE: 3205200 -49.2493 253.408 -92.5295 253.41 -73.8626 -175.047 -92.5287 -175.046 189.305 GPRESSURE: 3205200 34.5889 299.322 -54.1132 221.267 -103.968 -166.654 -87.3256 -188.814 229.415 PRESSAVG: 3205200 5.35091 27.2224 -24.6609 27.2224 48.8594 -27.7966 -24.6609 -27.7967 -72.4486 GPRESSAVG: 3205200 5.81217 27.6821 -25.7092 27.6535 47.7938 -27.7315 -24.006 -28.7803 -71.667 TIMING: 3205200 CPU: 9577.6, 0.00300903/step Wall: 9577.6, 0.00300903/step, 1.50017 hours remaining, 206.144531 MB of memory in use. ENERGY: 3205200 724.0968 2095.9432 1974.2518 115.0964 -207146.1824 17982.3071 0.0000 0.0000 34087.9152 -150166.5719 297.6982 -184254.4871 -150068.3550 297.1365 22.0644 53.3453 555706.6459 -6.0794 -6.0203 PRESSURE: 3205400 59.5562 -289.512 25.0431 -289.512 -82.4308 64.1627 25.0432 64.1633 -195.139 GPRESSURE: 3205400 105.673 -253.687 76.7308 -382.935 -55.4725 -31.7411 3.66877 65.4151 -165.672 PRESSAVG: 3205400 -16.0786 56.3794 -10.2048 56.3793 21.0826 -32.5718 -10.2049 -32.5718 5.56918 GPRESSAVG: 3205400 -16.5067 56.5092 -7.75421 55.2054 20.9956 -31.0252 -12.0081 -32.859 6.18796 TIMING: 3205400 CPU: 9578.2, 0.00299148/step Wall: 9578.2, 0.00299148/step, 1.49125 hours remaining, 206.144531 MB of memory in use. ENERGY: 3205400 738.6077 2121.4594 1958.5250 125.3417 -207029.4634 17896.2098 0.0000 0.0000 33929.7156 -150259.6042 296.3166 -184189.3198 -150162.6641 296.9310 -72.6712 -38.4905 556616.2270 3.5244 3.5590 PRESSURE: 3205600 -74.9358 -127.925 -45.4818 -127.924 195.541 166.354 -45.4829 166.354 -33.3966 GPRESSURE: 3205600 -26.6552 -139.285 -75.3362 -118.696 223.119 118.885 -82.7259 316.55 -14.8864 PRESSAVG: 3205600 28.0923 -54.6484 27.8863 -54.6483 -71.9284 11.9054 27.8863 11.9055 -0.958329 GPRESSAVG: 3205600 27.6816 -55.242 28.2086 -54.9798 -70.8402 9.79498 28.059 12.4641 -1.61279 TIMING: 3205600 CPU: 9578.81, 0.00302541/step Wall: 9578.81, 0.00302541/step, 1.508 hours remaining, 206.144531 MB of memory in use. ENERGY: 3205600 730.3532 2123.6743 1939.8650 105.5484 -207355.5057 18104.3492 0.0000 0.0000 34196.9719 -150154.7436 298.6507 -184351.7155 -150056.2689 297.4720 29.0697 60.5259 555808.4928 -14.9315 -14.9238 PRESSURE: 3205800 -91.1274 15.7367 -49.3374 15.7376 -143.064 -41.316 -49.3373 -41.3163 91.5779 GPRESSURE: 3205800 -51.3719 9.3887 -10.5738 78.55 -104.494 -33.302 -50.755 -32.1105 111.872 PRESSAVG: 3205800 -47.9259 31.9809 32.9461 31.9809 -0.584543 8.24512 32.9461 8.24512 70.2924 GPRESSAVG: 3205800 -46.5611 32.6782 31.5656 32.9327 -2.02631 10.6615 34.0608 7.10376 70.5755 TIMING: 3205800 CPU: 9579.41, 0.00303097/step Wall: 9579.41, 0.00303097/step, 1.5106 hours remaining, 206.144531 MB of memory in use. ENERGY: 3205800 732.8138 2047.0491 1969.1263 122.8542 -206986.7657 17860.3124 0.0000 0.0000 34073.8160 -150180.7938 297.5751 -184254.6098 -150090.9823 296.8965 -47.5378 -14.6645 556325.9364 7.2607 7.3293 PRESSURE: 3206000 -123.897 57.7984 57.059 57.798 -102.934 -4.64309 57.0583 -4.64502 -43.064 GPRESSURE: 3206000 -93.7691 47.628 -24.5043 -23.1419 -90.545 -84.7454 35.8302 -34.621 2.34448 PRESSAVG: 3206000 32.9975 28.414 28.2139 28.414 -47.3019 -22.9714 28.2138 -22.9715 25.9271 GPRESSAVG: 3206000 33.1204 29.2288 29.1935 27.731 -46.188 -24.552 28.6168 -22.2376 24.8737 TIMING: 3206000 CPU: 9580.02, 0.00304339/step Wall: 9580.02, 0.00304339/step, 1.51662 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: 3206000 760.4950 2066.8308 1970.1493 105.9333 -206908.3064 17891.9502 0.0000 0.0000 34115.0160 -149997.9317 297.9349 -184112.9477 -149894.8225 297.3205 -89.9650 -60.6565 557914.3092 3.8743 3.9354 PRESSURE: 3206200 -208.423 108.019 -41.9376 108.018 57.0725 -83.0938 -41.9377 -83.093 -13.02 GPRESSURE: 3206200 -166.322 41.3085 -45.9528 106.197 29.1102 -144.553 -64.3435 -53.8939 68.4088 PRESSAVG: 3206200 31.9528 12.7433 29.5516 12.7433 17.0796 -51.2109 29.5517 -51.2108 -34.3613 GPRESSAVG: 3206200 31.9532 10.6014 28.5834 13.7973 16.249 -50.9724 30.4597 -50.9882 -32.7008 TIMING: 3206200 CPU: 9580.63, 0.00304687/step Wall: 9580.63, 0.00304687/step, 1.51819 hours remaining, 206.144531 MB of memory in use. ENERGY: 3206200 738.8329 2144.9807 1956.6084 130.0529 -206598.8911 17911.1697 0.0000 0.0000 34061.4850 -149655.7616 297.4674 -183717.2466 -149564.8237 297.6729 -54.7903 -22.9344 557829.4765 4.8904 5.1671 PRESSURE: 3206400 -143.153 -3.14266 -101.35 -3.14311 -285.212 -41.6345 -101.35 -41.6342 -325.529 GPRESSURE: 3206400 -93.374 -1.58961 -117.116 104.385 -239.257 -58.9611 -114.188 -35.7616 -310.931 PRESSAVG: 3206400 69.6869 58.6573 -24.4612 58.6573 -82.5972 -65.6389 -24.4614 -65.6388 -8.28069 GPRESSAVG: 3206400 68.5893 59.224 -24.3443 57.6693 -81.3735 -65.0368 -27.2385 -64.8591 -9.09288 TIMING: 3206400 CPU: 9581.24, 0.00304827/step Wall: 9581.24, 0.00304827/step, 1.51872 hours remaining, 206.144531 MB of memory in use. ENERGY: 3206400 754.7367 2147.4110 1918.6405 116.2639 -206471.0422 17635.9266 0.0000 0.0000 34429.9143 -149468.1492 300.6850 -183898.0635 -149370.2857 298.8849 -251.2979 -214.5207 556878.9490 -7.0637 -7.2924 PRESSURE: 3206600 -70.3566 -202.814 -161.323 -202.814 -123.946 20.9842 -161.324 20.9849 -19.0323 GPRESSURE: 3206600 -63.0169 -195.444 -118.123 -236.442 -116.037 55.8718 -144.407 -53.1734 62.3404 PRESSAVG: 3206600 34.248 15.5809 -17.4382 15.581 -11.9853 -44.9768 -17.4383 -44.9768 -28.0932 GPRESSAVG: 3206600 35.56 16.0366 -15.7622 16.3393 -12.8458 -45.5763 -18.3009 -45.9273 -28.2744 TIMING: 3206600 CPU: 9581.84, 0.00301615/step Wall: 9581.84, 0.00301615/step, 1.50255 hours remaining, 206.144531 MB of memory in use. ENERGY: 3206600 745.8335 2132.0020 1958.3111 121.6202 -206357.7286 17679.4351 0.0000 0.0000 34224.8449 -149495.6817 298.8941 -183720.5267 -149398.1873 299.1149 -71.1115 -38.9045 555660.0848 -1.9435 -1.8534 PRESSURE: 3206800 0.135802 62.4246 64.3842 62.4243 -155.267 21.7483 64.3843 21.7477 -68.5309 GPRESSURE: 3206800 4.61576 14.027 75.0509 111.378 -155.243 -12.1263 116.308 -31.8854 29.5037 PRESSAVG: 3206800 -45.2231 30.2627 10.3794 30.2628 -0.678705 -52.1101 10.3794 -52.1101 14.6719 GPRESSAVG: 3206800 -45.1648 32.3223 9.78585 28.9036 -1.44982 -52.58 11.6245 -51.6243 15.4303 TIMING: 3206800 CPU: 9582.45, 0.00305372/step Wall: 9582.45, 0.00305372/step, 1.52109 hours remaining, 206.144531 MB of memory in use. ENERGY: 3206800 766.4754 2080.4867 1980.3175 103.6934 -206463.5443 17766.1593 0.0000 0.0000 34208.5763 -149557.8358 298.7520 -183766.4120 -149463.3624 297.9798 -74.5540 -40.3745 556847.5655 -10.4100 -10.3948 PRESSURE: 3207000 401.979 73.1661 -9.53409 73.1681 217.77 -64.5095 -9.53266 -64.5101 7.59227 GPRESSURE: 3207000 433.995 36.9044 110.238 144.061 262.764 -88.4533 32.9801 -21.75 24.1534 PRESSAVG: 3207000 53.0034 15.1493 10.9952 15.1494 -6.87809 4.2105 10.9952 4.21037 -46.169 GPRESSAVG: 3207000 52.1026 12.03 9.14879 15.9765 -5.64264 4.75371 11.1187 3.59767 -46.491 TIMING: 3207000 CPU: 9583.06, 0.00304062/step Wall: 9583.06, 0.00304062/step, 1.5144 hours remaining, 206.144531 MB of memory in use. ENERGY: 3207000 736.5007 2094.8380 1949.9544 116.9200 -207013.8158 18258.2014 0.0000 0.0000 34249.8022 -149607.5992 299.1120 -183857.4014 -149514.9865 298.3364 209.1140 240.3041 555415.8320 -0.0145 -0.0104 PRESSURE: 3207200 26.298 -7.88074 -47.1816 -7.88116 158.789 -93.7142 -47.1809 -93.7147 209.672 GPRESSURE: 3207200 72.6999 -17.2343 -89.8299 -10.1015 195.617 -91.7529 39.9329 -87.6604 207.561 PRESSAVG: 3207200 -14.454 -11.0521 3.55198 -11.0521 22.4376 -5.94625 3.55199 -5.94616 54.0776 GPRESSAVG: 3207200 -13.8359 -7.40958 5.82328 -11.8221 21.6689 -6.63619 1.70968 -3.78331 54.1589 TIMING: 3207200 CPU: 9583.67, 0.00306151/step Wall: 9583.67, 0.00306151/step, 1.52463 hours remaining, 206.144531 MB of memory in use. ENERGY: 3207200 735.1585 2161.6640 1960.3572 116.9003 -206495.3850 17875.9299 0.0000 0.0000 34029.0680 -149616.3070 297.1843 -183645.3750 -149521.6060 298.2462 131.5862 158.6260 556512.5493 20.6871 20.6639 PRESSURE: 3207400 -45.4142 57.6345 -70.5866 57.6337 -22.9869 73.2901 -70.5845 73.2891 24.4 GPRESSURE: 3207400 -71.8798 187.723 -176.96 21.1616 13.457 -42.4554 -79.5438 127.328 117.191 PRESSAVG: 3207400 -0.167798 -26.1966 3.12433 -26.1966 7.0993 -28.8908 3.12436 -28.8908 33.1659 GPRESSAVG: 3207400 -1.31045 -28.3441 2.31331 -24.6651 7.5919 -31.3838 4.38078 -29.7643 34.0369 TIMING: 3207400 CPU: 9584.28, 0.00304407/step Wall: 9584.28, 0.00304407/step, 1.51578 hours remaining, 206.144531 MB of memory in use. ENERGY: 3207400 732.8293 2056.0965 1957.6905 125.6307 -206209.1008 17687.5297 0.0000 0.0000 34217.3350 -149431.9891 298.8285 -183649.3241 -149330.2290 298.5511 -14.6670 19.5894 557451.2926 13.3658 13.4395 PRESSURE: 3207600 -144.728 -56.4414 173.634 -56.4419 -138.159 35.7174 173.634 35.7189 -105.945 GPRESSURE: 3207600 -152.219 -88.3397 82.8676 -16.3347 -99.006 142.845 151.054 1.48821 -34.3363 PRESSAVG: 3207600 31.7263 -8.85494 3.35848 -8.85497 11.5954 -8.7509 3.35847 -8.75092 18.3651 GPRESSAVG: 3207600 33.3587 -9.4583 2.04116 -9.53152 11.7516 -7.74976 5.29324 -9.90144 16.5766 TIMING: 3207600 CPU: 9584.89, 0.00304022/step Wall: 9584.89, 0.00304022/step, 1.51369 hours remaining, 206.144531 MB of memory in use. ENERGY: 3207600 812.2957 2140.1892 1935.7855 112.3082 -206114.7531 17625.4382 0.0000 0.0000 34214.2522 -149274.4840 298.8016 -183488.7362 -149171.3425 298.8601 -129.6107 -95.1870 556566.2365 20.5623 20.5623 PRESSURE: 3207800 -109.496 -9.75183 -34.2478 -9.752 -187.092 66.2885 -34.2478 66.2888 -45.0203 GPRESSURE: 3207800 -77.4014 -48.3546 57.059 67.1721 -149.243 101.109 -17.4807 9.24449 -14.6965 PRESSAVG: 3207800 58.181 -20.7096 7.02683 -20.7095 -46.0795 0.758541 7.02695 0.758477 22.2095 GPRESSAVG: 3207800 58.1687 -19.5174 7.95403 -22.5076 -46.1259 -0.114888 6.81355 2.80432 22.938 TIMING: 3207800 CPU: 9585.5, 0.00303019/step Wall: 9585.5, 0.00303019/step, 1.50853 hours remaining, 206.144531 MB of memory in use. ENERGY: 3207800 774.8902 2150.6471 1927.4121 108.7348 -206191.0682 17814.2691 0.0000 0.0000 34098.7187 -149316.3962 297.7926 -183415.1149 -149223.4910 299.2149 -113.8695 -80.4471 557251.5380 11.4370 11.6603 PRESSURE: 3208000 -200.987 29.3277 -20.2714 29.3279 -126.484 87.3536 -20.2707 87.3534 -121.75 GPRESSURE: 3208000 -179.332 -33.6035 -46.6925 -40.8261 -41.6158 25.4774 -20.6253 133.463 -123.99 PRESSAVG: 3208000 -46.736 -10.9082 -25.4184 -10.9082 27.1987 -12.9866 -25.4185 -12.9865 -30.759 GPRESSAVG: 3208000 -47.4658 -11.9105 -23.8021 -9.96062 28.0014 -11.8559 -30.0056 -15.1546 -30.4754 TIMING: 3208000 CPU: 9586.1, 0.00303063/step Wall: 9586.1, 0.00303063/step, 1.50858 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: 3208000 760.5802 2135.2487 1960.1900 126.1989 -206345.5781 17699.6349 0.0000 0.0000 34354.5293 -149309.1962 300.0266 -183663.7255 -149208.5351 298.6544 -149.7403 -114.9794 558001.8005 -16.7655 -16.6466 PRESSURE: 3208200 -87.8063 -101.345 93.9633 -101.345 144.633 -40.762 93.9633 -40.7617 11.5596 GPRESSURE: 3208200 -56.9091 -99.35 100.235 -91.6306 173.485 -15.7304 129.209 7.71578 52.8839 PRESSAVG: 3208200 -24.8657 -56.4878 -7.29179 -56.4878 29.5592 -6.58104 -7.29183 -6.58097 -11.9465 GPRESSAVG: 3208200 -24.9494 -56.8117 -8.56974 -56.1028 29.9296 -4.53562 -4.20633 -6.90551 -12.603 TIMING: 3208200 CPU: 9586.71, 0.00305825/step Wall: 9586.71, 0.00305825/step, 1.52216 hours remaining, 206.144531 MB of memory in use. ENERGY: 3208200 753.6538 2109.6650 1930.9444 125.3962 -206375.1613 17952.6973 0.0000 0.0000 34181.0564 -149321.7482 298.5117 -183502.8046 -149227.2102 299.2640 22.7956 56.4865 558476.5577 -2.4177 -2.5409 LDB: ============= START OF LOAD BALANCING ============== 9590.15 LDB: ============== END OF LOAD BALANCING =============== 9590.15 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9590.15 LDB: ============= START OF LOAD BALANCING ============== 9590.46 LDB: Largest compute 4819 load 0.028326 is 24.0% of average load 0.118063 LDB: Average compute 0.001749 is 1.5% of average load 0.118063 LDB: TIME 9590.46 LOAD: AVG 0.118063 MAX 0.210904 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 9590.46 LOAD: AVG 0.118063 MAX 0.210904 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: TIME 9590.46 LOAD: AVG 0.118063 MAX 0.210904 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9590.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9590.47 PRESSURE: 3208400 -3.72655 53.4343 -14.9678 53.4353 -216.874 -178.561 -14.9671 -178.561 -55.0902 GPRESSURE: 3208400 1.6757 19.062 -16.3518 6.65806 -151.796 -177.721 -19.3384 -143.697 -35.1884 PRESSAVG: 3208400 -13.9879 -24.2111 16.5481 -24.2111 82.7113 -0.504784 16.5481 -0.504736 -26.7216 GPRESSAVG: 3208400 -14.2373 -22.7874 16.3714 -26.3051 82.3044 -0.0586082 19.2337 0.818286 -26.3264 TIMING: 3208400 CPU: 9587.34, 0.00310855/step Wall: 9587.34, 0.00310855/step, 1.54702 hours remaining, 207.222656 MB of memory in use. ENERGY: 3208400 756.3612 2098.6691 1945.3249 109.9289 -206383.1408 17880.9812 0.0000 0.0000 34279.0699 -149312.8058 299.3676 -183591.8756 -149214.9668 298.9338 -91.8969 -61.7696 557917.9540 14.0006 13.9136 PRESSURE: 3208600 361.549 268.629 65.0559 268.63 239.711 -197.42 65.0563 -197.419 250.231 GPRESSURE: 3208600 366.759 272.968 119.057 286.123 271.451 -243.145 -9.06576 -229.193 315.341 PRESSAVG: 3208600 -17.7387 -19.3322 -23.4452 -19.3322 2.96946 -11.8277 -23.4452 -11.8277 -21.2265 GPRESSAVG: 3208600 -16.4814 -21.4762 -24.6045 -17.0398 1.95988 -15.1263 -25.6268 -11.5101 -21.1233 TIMING: 3208600 CPU: 9587.94, 0.00302674/step Wall: 9587.94, 0.00302674/step, 1.50614 hours remaining, 207.425781 MB of memory in use. ENERGY: 3208600 761.6388 2091.3831 1955.2245 101.1805 -206637.3366 18370.8543 0.0000 0.0000 34248.8480 -149108.2074 299.1037 -183357.0554 -149020.7913 299.8505 283.8303 317.8506 558069.4928 -11.9986 -11.8816 PRESSURE: 3208800 -29.166 3.02057 203.44 3.02082 163.967 169.478 203.442 169.477 -331.086 GPRESSURE: 3208800 -44.3734 53.3509 217.817 -18.0579 181.942 143.88 188.502 181.145 -243.463 PRESSAVG: 3208800 20.9204 -8.71361 16.3839 -8.71363 -14.5786 0.705824 16.3839 0.705769 10.1866 GPRESSAVG: 3208800 19.885 -7.81575 17.1866 -9.54495 -14.9122 1.92775 16.7459 0.735243 11.4886 TIMING: 3208800 CPU: 9588.55, 0.00302544/step Wall: 9588.55, 0.00302544/step, 1.50533 hours remaining, 207.425781 MB of memory in use. ENERGY: 3208800 730.8380 2077.4628 1939.6306 105.2364 -206005.5705 17626.9148 0.0000 0.0000 34321.8519 -149203.6360 299.7413 -183525.4879 -149106.9270 299.1249 -65.4281 -35.2981 557579.7313 5.5095 5.4871 PRESSURE: 3209000 232.824 -33.5664 5.29088 -33.5674 235.363 21.0182 5.29052 21.0156 41.5988 GPRESSURE: 3209000 251.297 35.8031 12.8976 12.7905 253.002 77.8136 14.3324 -22.3827 86.8137 PRESSAVG: 3209000 77.4653 -11.9563 51.2541 -11.9562 9.68446 13.4447 51.2541 13.4446 -64.5641 GPRESSAVG: 3209000 76.7762 -12.4489 51.7773 -10.1224 9.85523 16.4043 50.1309 10.4853 -63.3492 TIMING: 3209000 CPU: 9589.15, 0.00300197/step Wall: 9589.15, 0.00300197/step, 1.49348 hours remaining, 207.425781 MB of memory in use. ENERGY: 3209000 763.9947 2090.8182 1968.7643 102.5618 -206508.5244 18072.8812 0.0000 0.0000 34313.4365 -149196.0677 299.6678 -183509.5042 -149101.4763 299.5976 169.9287 197.0376 557104.8647 7.5285 7.7607 PRESSURE: 3209200 -180.096 -53.5749 14.537 -53.5741 118.625 3.00537 14.5372 3.00532 -38.6604 GPRESSURE: 3209200 -119.062 -106.174 104.827 -3.04745 152.942 -113.331 -24.0739 5.70283 -29.374 PRESSAVG: 3209200 2.82258 4.05304 -1.89307 4.05301 53.2723 -23.9533 -1.89309 -23.9534 -52.1871 GPRESSAVG: 3209200 2.93162 4.78164 -3.81906 1.69007 53.9872 -25.9867 -0.386536 -23.9089 -53.2598 TIMING: 3209200 CPU: 9589.75, 0.00300876/step Wall: 9589.75, 0.00300876/step, 1.49669 hours remaining, 207.425781 MB of memory in use. ENERGY: 3209200 733.9744 2104.9528 1954.9497 109.8479 -205962.7417 17645.5251 0.0000 0.0000 34226.8967 -149186.5951 298.9120 -183413.4918 -149085.4970 299.5269 -33.3771 1.5018 557886.1747 1.3026 1.2197 PRESSURE: 3209400 -162.055 -133.345 1.01855 -133.345 -118.418 -147.281 1.01869 -147.28 -277.676 GPRESSURE: 3209400 -128.363 -157.969 -49.6252 -105.456 -62.7703 -72.4695 38.2143 -217.54 -259.517 PRESSAVG: 3209400 -22.8767 22.9809 12.9487 22.9808 11.6189 36.3301 12.9487 36.3302 -46.2305 GPRESSAVG: 3209400 -21.421 22.9617 14.3157 23.9881 10.7869 37.3444 11.9796 38.6344 -47.1023 TIMING: 3209400 CPU: 9590.36, 0.00303936/step Wall: 9590.36, 0.00303936/step, 1.51175 hours remaining, 207.425781 MB of memory in use. ENERGY: 3209400 744.6891 2076.8151 1982.4932 120.0640 -206396.3140 17738.1758 0.0000 0.0000 34532.3053 -149201.7716 301.5792 -183734.0769 -149102.9266 299.5945 -186.0498 -150.2167 558279.0967 -19.1628 -19.2455 PRESSURE: 3209600 -70.8642 -132.344 -157.942 -132.344 -159.618 285.152 -157.941 285.154 -120.619 GPRESSURE: 3209600 -28.708 -131.587 -1.46448 -77.4901 -149.846 348.324 -277.91 217.611 -83.9988 PRESSAVG: 3209600 25.043 42.4694 -19.5441 42.4694 22.6393 12.7023 -19.5441 12.7023 -52.2918 GPRESSAVG: 3209600 24.0858 39.7561 -19.3334 42.6764 22.5879 11.6937 -18.7913 11.848 -51.2144 TIMING: 3209600 CPU: 9590.96, 0.00300159/step Wall: 9590.96, 0.00300159/step, 1.49279 hours remaining, 207.425781 MB of memory in use. ENERGY: 3209600 766.3002 2090.4255 1944.9483 108.6792 -205962.0360 17783.2458 0.0000 0.0000 34192.9079 -149075.5290 298.6152 -183268.4369 -148987.4457 299.2880 -117.0337 -87.5177 559348.4436 -1.5365 -1.5136 PRESSURE: 3209800 -108.793 -157.474 -94.118 -157.473 176.274 -53.51 -94.1188 -53.5098 -112.727 GPRESSURE: 3209800 -112.025 -120.774 -64.7559 -120.791 257.611 -52.8477 -132.864 -46.4282 -103.218 PRESSAVG: 3209800 -20.3794 36.1589 -76.8155 36.1589 15.2474 -14.3634 -76.8153 -14.3634 4.18345 GPRESSAVG: 3209800 -20.6302 40.0358 -75.5506 35.92 15.7186 -14.1383 -76.6785 -14.5351 3.635 TIMING: 3209800 CPU: 9591.56, 0.00301025/step Wall: 9591.56, 0.00301025/step, 1.49693 hours remaining, 207.546875 MB of memory in use. ENERGY: 3209800 780.3083 2119.4053 1959.6097 100.6686 -206474.6622 18063.5028 0.0000 0.0000 34263.5783 -149187.5892 299.2324 -183451.1675 -149098.7893 299.1342 -15.0820 14.1226 558634.1411 -0.3162 -0.4255 PRESSURE: 3210000 134.454 17.0313 -9.63658 17.0315 -42.8948 -88.5795 -9.63637 -88.5775 -167.47 GPRESSURE: 3210000 124.12 -0.0541731 15.1363 -4.59045 5.94547 -126.174 -12.0892 -91.1734 -122.981 PRESSAVG: 3210000 13.7299 15.916 -35.5514 15.916 52.4658 0.558354 -35.5513 0.558382 -30.1288 GPRESSAVG: 3210000 12.1625 13.7582 -36.3299 16.5257 52.4725 2.50938 -36.0583 -0.0240892 -29.1176 TIMING: 3210000 CPU: 9592.16, 0.00300984/step Wall: 9592.16, 0.00300984/step, 1.49656 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: 3210000 772.6113 2066.5287 1936.0008 111.6320 -206016.8040 17645.8509 0.0000 0.0000 34342.9643 -149141.2162 299.9256 -183484.1804 -149046.7957 299.0739 -25.3036 2.3616 557259.1502 12.0223 11.8391 PRESSURE: 3210200 6.29753 -91.589 -102.177 -91.5882 -270.932 -168.889 -102.177 -168.888 0.219985 GPRESSURE: 3210200 101.684 -93.611 -94.4542 -102.151 -229.819 -27.7458 -143.109 -204.149 -33.9425 PRESSAVG: 3210200 -9.30251 -42.002 25.3791 -42.002 -21.6456 19.3619 25.3791 19.3618 -9.14293 GPRESSAVG: 3210200 -9.1116 -41.5568 25.4287 -41.8076 -22.1497 18.6362 26.7416 21.1583 -9.29166 TIMING: 3210200 CPU: 9592.76, 0.00301665/step Wall: 9592.76, 0.00301665/step, 1.49978 hours remaining, 207.546875 MB of memory in use. ENERGY: 3210200 745.5041 2076.2492 1936.3716 96.5414 -205837.5973 17561.7455 0.0000 0.0000 34283.2118 -149137.9737 299.4038 -183421.1855 -149043.5666 299.1691 -88.1381 -54.0261 557579.4746 -13.3637 -13.5176 PRESSURE: 3210400 -255.677 152.496 167.019 152.497 74.8564 3.49404 167.019 3.49371 -91.2209 GPRESSURE: 3210400 -260.64 138.283 134.74 214.309 124.151 -6.13707 164.054 -61.9064 -31.7666 PRESSAVG: 3210400 -56.5694 -39.9516 -31.3973 -39.9516 41.6484 -38.3129 -31.3972 -38.313 25.7193 GPRESSAVG: 3210400 -56.1599 -39.9688 -32.4733 -39.2951 41.5864 -40.0219 -30.6192 -38.5464 25.8515 TIMING: 3210400 CPU: 9593.37, 0.00302118/step Wall: 9593.37, 0.00302118/step, 1.50186 hours remaining, 207.546875 MB of memory in use. ENERGY: 3210400 718.0317 2041.2976 1961.7781 103.5717 -205883.7522 17673.7166 0.0000 0.0000 34144.0212 -149241.3354 298.1882 -183385.3565 -149147.4307 299.6432 -90.6804 -56.0853 558670.9935 3.5995 3.7593 PRESSURE: 3210600 -53.5649 46.6619 109.11 46.6616 -144.757 -54.0746 109.11 -54.0739 -143.269 GPRESSURE: 3210600 -55.5249 30.1976 88.3565 59.8036 -70.3123 -90.1675 229.281 37.2268 -121.991 PRESSAVG: 3210600 -10.4647 -15.8885 69.6716 -15.8885 8.17067 -34.809 69.6715 -34.809 24.7439 GPRESSAVG: 3210600 -11.6904 -15.2942 72.7114 -17.1401 8.43776 -34.1459 67.9845 -32.9 25.2634 TIMING: 3210600 CPU: 9593.97, 0.00303142/step Wall: 9593.97, 0.00303142/step, 1.50678 hours remaining, 207.546875 MB of memory in use. ENERGY: 3210600 759.4757 2097.7642 1952.1409 130.3016 -206150.6364 17728.1520 0.0000 0.0000 34304.7094 -149178.0926 299.5916 -183482.8020 -149081.3860 299.1517 -113.8636 -82.6094 558770.2490 7.4833 7.3369 PRESSURE: 3210800 -306.66 -177.026 -83.6021 -177.027 -2.31546 -51.5508 -83.6034 -51.5477 -371.111 GPRESSURE: 3210800 -293.547 -192.178 -115.294 -123.973 19.3782 -119.635 -45.2266 -32.5692 -311.668 PRESSAVG: 3210800 5.57697 -70.1722 -35.4931 -70.1722 14.8484 5.39028 -35.4931 5.39032 -17.4367 GPRESSAVG: 3210800 6.52959 -70.549 -37.3492 -68.7173 14.9765 3.87518 -34.9624 2.67457 -18.0632 TIMING: 3210800 CPU: 9594.58, 0.00303357/step Wall: 9594.58, 0.00303357/step, 1.50768 hours remaining, 207.546875 MB of memory in use. ENERGY: 3210800 782.5068 2043.5650 1970.3529 113.9070 -206136.1323 17648.3643 0.0000 0.0000 34183.0701 -149394.3664 298.5293 -183577.4365 -149299.8300 298.6110 -226.6952 -195.2791 559881.0707 0.9962 1.1476 PRESSURE: 3211000 -28.7802 166.402 -119.924 166.4 64.7637 108.327 -119.924 108.324 -296.865 GPRESSURE: 3211000 0.477918 238.529 -63.0634 64.4847 49.0697 98.7867 -180.227 108.801 -210.359 PRESSAVG: 3211000 4.36523 -21.3254 21.7111 -21.3254 34.7712 13.0128 21.7111 13.0127 -62.7449 GPRESSAVG: 3211000 4.86324 -21.1992 22.0854 -23.8657 33.9352 13.7532 20.8363 13.0309 -63.0114 TIMING: 3211000 CPU: 9595.18, 0.00300595/step Wall: 9595.18, 0.00300595/step, 1.49379 hours remaining, 207.546875 MB of memory in use. ENERGY: 3211000 734.9855 2092.2543 1974.9591 119.2675 -206106.3870 17677.9722 0.0000 0.0000 34203.4431 -149303.5053 298.7072 -183506.9484 -149202.1646 298.5160 -86.9606 -53.6037 558683.6451 -7.8695 -8.0710 PRESSURE: 3211200 96.4467 71.1339 -110.716 71.1333 -76.2191 18.2599 -110.716 18.2608 173.624 GPRESSURE: 3211200 109.237 16.1618 -76.0334 37.7551 -12.9825 52.1526 -57.3368 23.6045 206.957 PRESSAVG: 3211200 26.084 42.898 17.7248 42.8979 -7.22058 31.9444 17.7249 31.9445 37.8287 GPRESSAVG: 3211200 26.2154 43.0833 16.2364 43.0517 -7.41456 31.0985 17.689 32.5213 37.5982 TIMING: 3211200 CPU: 9595.79, 0.00301991/step Wall: 9595.79, 0.00301991/step, 1.50056 hours remaining, 207.546875 MB of memory in use. ENERGY: 3211200 743.4258 2036.7415 1942.3024 120.2271 -206663.3196 18087.5243 0.0000 0.0000 34414.2397 -149318.8588 300.5481 -183733.0985 -149225.8761 298.7288 64.6172 101.0707 557859.9816 18.8974 18.7997 PRESSURE: 3211400 -35.3054 80.9605 -61.2097 80.9614 -17.0309 15.6623 -61.2092 15.6636 17.3037 GPRESSURE: 3211400 19.203 142.677 -167.382 38.3417 38.9707 -3.33781 -60.9462 77.0028 6.96404 PRESSAVG: 3211400 -34.353 30.6 26.1918 30.6001 22.8014 15.002 26.1917 15.0021 -27.4319 GPRESSAVG: 3211400 -35.1109 30.5279 27.3241 31.323 23.9853 16.9882 27.3893 13.4669 -27.7066 TIMING: 3211400 CPU: 9596.4, 0.00305323/step Wall: 9596.4, 0.00305323/step, 1.51695 hours remaining, 207.546875 MB of memory in use. ENERGY: 3211400 763.8920 2075.7751 1958.3408 110.8846 -206391.2918 17883.3974 0.0000 0.0000 34143.1213 -149455.8805 298.1804 -183599.0018 -149366.5014 298.6624 -11.6775 21.7126 557352.4734 -12.9945 -12.9441 PRESSURE: 3211600 32.232 -3.85446 -118.499 -3.85442 121.262 -86.8776 -118.499 -86.8767 -267.482 GPRESSURE: 3211600 45.0728 -24.9216 -110.733 -32.4981 182.945 -142.452 -47.15 11.7234 -255.811 PRESSAVG: 3211600 -10.9147 34.2071 -13.3548 34.2072 -38.2514 18.4144 -13.3548 18.4144 45.1872 GPRESSAVG: 3211600 -10.5554 33.5832 -15.3036 34.4211 -39.1769 17.7992 -12.7588 17.9379 45.6193 TIMING: 3211600 CPU: 9597.01, 0.003051/step Wall: 9597.01, 0.003051/step, 1.51567 hours remaining, 207.546875 MB of memory in use. ENERGY: 3211600 735.8711 2096.9684 1969.9791 111.9015 -206702.5355 17823.3055 0.0000 0.0000 34507.8197 -149456.6903 301.3654 -183964.5100 -149367.3585 298.4227 -37.9959 -9.2644 558041.9796 -1.3263 -1.3710 PRESSURE: 3211800 -136.881 54.4386 -80.928 54.4401 -76.9694 -65.5725 -80.9286 -65.5719 -48.4698 GPRESSURE: 3211800 -102.012 4.20735 -78.8859 -20.5302 1.12146 -37.9997 -83.6093 -29.4534 -62.9609 PRESSAVG: 3211800 -57.1257 -10.645 -88.1941 -10.6449 -36.1474 7.33078 -88.1941 7.33085 74.1497 GPRESSAVG: 3211800 -57.7843 -8.7851 -86.5945 -11.4433 -36.4233 3.75829 -89.1683 8.9109 74.9337 TIMING: 3211800 CPU: 9597.61, 0.00302035/step Wall: 9597.61, 0.00302035/step, 1.50028 hours remaining, 207.617188 MB of memory in use. ENERGY: 3211800 759.5553 2094.7168 1967.0759 116.1407 -206405.6303 17837.5524 0.0000 0.0000 34223.4097 -149407.1794 298.8815 -183630.5891 -149316.3423 298.4864 -87.4401 -54.6173 556109.9108 -6.3745 -6.4246 PRESSURE: 3212000 -161.634 69.6117 159.013 69.6114 84.4531 77.4945 159.013 77.4957 10.3911 GPRESSURE: 3212000 -141.663 77.5804 195.783 71.1984 167.392 80.3296 115.343 113.027 13.5938 PRESSAVG: 3212000 -29.1836 48.7438 -64.5137 48.7438 18.5767 -1.43495 -64.5137 -1.43505 43.656 GPRESSAVG: 3212000 -27.6942 48.6385 -64.632 50.6849 19.3281 1.06589 -64.1045 -0.920763 41.7312 TIMING: 3212000 CPU: 9598.22, 0.00302168/step Wall: 9598.22, 0.00302168/step, 1.50077 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: 3212000 764.9293 2121.6531 1947.9021 120.3948 -206299.7493 17887.4401 0.0000 0.0000 34065.0116 -149392.4184 297.4982 -183457.4299 -149302.8348 298.9414 -22.2634 13.1078 557570.8365 11.0164 11.1217 PRESSURE: 3212200 -28.2505 235.994 -65.2653 235.993 -26.9552 54.0698 -65.2658 54.0694 219.423 GPRESSURE: 3212200 92.1601 175.267 38.4621 242.85 -43.4045 50.4253 -156.289 -49.6631 222.391 PRESSAVG: 3212200 4.3072 55.5535 -13.1211 55.5534 8.86607 8.49748 -13.1212 8.49747 -23.7229 GPRESSAVG: 3212200 3.72893 55.229 -13.1323 54.0219 8.47336 7.74738 -13.4399 9.00175 -23.1817 TIMING: 3212200 CPU: 9598.82, 0.00302008/step Wall: 9598.82, 0.00302008/step, 1.4998 hours remaining, 207.617188 MB of memory in use. ENERGY: 3212200 781.7319 2077.9970 1953.6275 119.5262 -206269.3292 17894.4623 0.0000 0.0000 34023.2620 -149418.7222 297.1336 -183441.9842 -149322.0186 298.3632 54.7391 90.3823 557321.0630 -3.5165 -3.6598 LDB: ============= START OF LOAD BALANCING ============== 9602.25 LDB: ============== END OF LOAD BALANCING =============== 9602.25 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9602.25 LDB: ============= START OF LOAD BALANCING ============== 9602.55 LDB: Largest compute 4820 load 0.028467 is 24.1% of average load 0.118046 LDB: Average compute 0.001745 is 1.5% of average load 0.118046 LDB: TIME 9602.56 LOAD: AVG 0.118046 MAX 0.205624 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.086 MB LDB: TIME 9602.56 LOAD: AVG 0.118046 MAX 0.205624 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.09 MB LDB: TIME 9602.56 LOAD: AVG 0.118046 MAX 0.205624 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.09 MB LDB: ============== END OF LOAD BALANCING =============== 9602.56 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9602.56 PRESSURE: 3212400 111.321 166.007 -76.536 166.006 -154.994 22.0116 -76.5359 22.0116 58.6729 GPRESSURE: 3212400 89.2441 257.907 -157.663 164.404 -77.0513 -8.85965 25.0173 42.8506 105.566 PRESSAVG: 3212400 28.6554 41.2112 27.8299 41.2112 -33.6647 53.7067 27.83 53.7067 11.0359 GPRESSAVG: 3212400 27.9008 41.9534 27.7201 42.0229 -32.8631 54.4491 31.4293 52.1915 11.0667 TIMING: 3212400 CPU: 9599.43, 0.00307003/step Wall: 9599.43, 0.00307003/step, 1.52444 hours remaining, 206.207031 MB of memory in use. ENERGY: 3212400 762.5991 2079.7898 1952.5532 111.1860 -206552.6295 17999.9004 0.0000 0.0000 34256.9629 -149389.6380 299.1746 -183646.6009 -149298.0481 299.4063 5.0000 39.2529 557539.4820 2.0089 2.0348 PRESSURE: 3212600 48.3084 -43.877 -77.616 -43.8767 250.115 -64.5127 -77.6163 -64.5123 -30.166 GPRESSURE: 3212600 86.4672 -34.9971 -53.7391 -53.4828 296.349 -39.2338 -139.523 -73.0554 -19.6488 PRESSAVG: 3212600 14.2178 38.6265 0.0842143 38.6264 12.4915 -39.9879 0.0841159 -39.9878 -7.07066 GPRESSAVG: 3212600 15.0453 37.2667 0.448911 41.1413 11.2199 -39.8666 -3.14755 -38.8498 -7.11111 TIMING: 3212600 CPU: 9600.03, 0.00300172/step Wall: 9600.03, 0.00300172/step, 1.49035 hours remaining, 206.410156 MB of memory in use. ENERGY: 3212600 749.1170 2097.0139 1937.8506 123.8992 -206087.5328 17791.2932 0.0000 0.0000 34057.8008 -149330.5580 297.4352 -183388.3588 -149230.6206 298.8517 89.4190 121.0559 556718.2013 6.5462 6.3847 PRESSURE: 3212800 -118.966 33.7788 3.73872 33.7783 -135.539 -77.4996 3.73858 -77.499 21.5445 GPRESSURE: 3212800 -108.604 63.64 61.1033 -15.1513 -56.7621 -106.375 -21.9501 -41.7838 22.8706 PRESSAVG: 3212800 70.5069 -17.1216 -65.7163 -17.1216 -57.8829 -13.2293 -65.7164 -13.2293 -59.3712 GPRESSAVG: 3212800 69.8105 -16.5682 -65.3839 -22.2549 -57.1828 -15.0907 -65.6315 -12.0108 -59.6418 TIMING: 3212800 CPU: 9600.64, 0.00303738/step Wall: 9600.64, 0.00303738/step, 1.50789 hours remaining, 206.410156 MB of memory in use. ENERGY: 3212800 752.7750 2126.3409 1957.4557 112.8201 -206262.5497 17699.6875 0.0000 0.0000 34249.5949 -149363.8756 299.1102 -183613.4705 -149267.8719 299.2652 -77.6536 -47.4987 558688.4835 -15.5824 -15.6714 PRESSURE: 3213000 -196.941 -302.461 151.076 -302.46 -291.12 115.842 151.076 115.842 -193.423 GPRESSURE: 3213000 -135.345 -251.923 58.6834 -277.27 -293.289 143.732 179.451 101.49 -139.104 PRESSAVG: 3213000 4.84088 -19.3241 -26.7549 -19.324 -30.7875 -2.5977 -26.7549 -2.59773 5.36737 GPRESSAVG: 3213000 6.24942 -18.526 -27.0502 -18.71 -31.7508 -0.916929 -27.9417 -4.26872 5.03955 TIMING: 3213000 CPU: 9601.25, 0.00303299/step Wall: 9601.25, 0.00303299/step, 1.50554 hours remaining, 206.410156 MB of memory in use. ENERGY: 3213000 773.2890 2063.4123 1926.9335 113.7390 -206144.8582 17482.5386 0.0000 0.0000 34387.1706 -149397.7752 300.3117 -183784.9458 -149304.3013 299.0089 -227.1616 -189.2460 558278.9805 -6.8597 -6.8206 PRESSURE: 3213200 181.259 -133.193 -132.269 -133.193 79.6151 34.8123 -132.269 34.8134 40.5385 GPRESSURE: 3213200 221.27 -166.87 -77.7492 -121.722 104.377 72.3064 -61.2454 -28.9147 74.2654 PRESSAVG: 3213200 31.2674 -24.0235 -5.83434 -24.0235 -82.5135 -4.44709 -5.83441 -4.44708 54.4836 GPRESSAVG: 3213200 31.0284 -24.7272 -7.16805 -23.3841 -82.809 -3.70762 -4.26742 -5.56344 54.9297 TIMING: 3213200 CPU: 9601.85, 0.00301451/step Wall: 9601.85, 0.00301451/step, 1.4962 hours remaining, 206.410156 MB of memory in use. ENERGY: 3213200 731.4752 2124.4018 1945.0873 106.9667 -206773.1411 18062.7929 0.0000 0.0000 34475.1770 -149327.2403 301.0803 -183802.4173 -149240.9989 298.6911 100.4707 133.3041 556955.7537 1.0791 1.0497 PRESSURE: 3213400 102.327 -136.845 44.1425 -136.846 103.378 -60.3661 44.1419 -60.3668 275.646 GPRESSURE: 3213400 182.886 -45.9335 120.944 -150.9 160.471 -119.297 4.22875 4.07118 239.078 PRESSAVG: 3213400 48.6442 -34.5575 8.93305 -34.5575 -112.23 -2.4181 8.9331 -2.41805 55.9424 GPRESSAVG: 3213400 46.7379 -33.3391 9.79102 -35.5561 -111.066 -1.39713 5.92547 -0.688709 56.9087 TIMING: 3213400 CPU: 9602.45, 0.00300974/step Wall: 9602.45, 0.00300974/step, 1.49367 hours remaining, 206.410156 MB of memory in use. ENERGY: 3213400 739.2844 2121.5778 1949.7719 121.0055 -206549.8175 18063.8485 0.0000 0.0000 34059.0124 -149495.3170 297.4458 -183554.3294 -149399.4559 299.1873 160.4502 194.1452 556611.1772 -2.5477 -2.4732 PRESSURE: 3213600 201.487 -116.407 -96.4984 -116.408 -44.0134 40.5848 -96.4982 40.5866 237.669 GPRESSURE: 3213600 203.969 -183.106 15.5484 -25.2126 54.5826 72.9407 -90.4265 12.2797 222.077 PRESSAVG: 3213600 23.0802 -20.0974 -22.0164 -20.0974 -59.4159 81.8212 -22.0163 81.8212 53.6091 GPRESSAVG: 3213600 23.7907 -21.1976 -21.3413 -19.0832 -59.7306 80.2111 -19.8494 81.4205 53.1658 TIMING: 3213600 CPU: 9603.06, 0.00301717/step Wall: 9603.06, 0.00301717/step, 1.49719 hours remaining, 206.410156 MB of memory in use. ENERGY: 3213600 762.6700 2049.3468 1959.4047 103.1844 -206487.0087 18045.1666 0.0000 0.0000 34243.3970 -149323.8391 299.0561 -183567.2362 -149222.4575 298.7761 131.7143 160.2097 557342.0912 5.7578 5.7420 PRESSURE: 3213800 31.2421 -2.80341 -96.0656 -2.8013 125.948 78.6086 -96.0659 78.6102 113.794 GPRESSURE: 3213800 47.876 20.0165 26.907 1.92452 179.926 106.219 -125.276 59.9149 132.157 PRESSAVG: 3213800 43.0517 13.7778 24.2727 13.7778 -46.4023 21.355 24.2726 21.355 23.1925 GPRESSAVG: 3213800 42.954 13.2793 27.2202 14.1262 -45.8325 22.3405 20.1507 20.4876 22.8315 TIMING: 3213800 CPU: 9603.66, 0.00302623/step Wall: 9603.66, 0.00302623/step, 1.50151 hours remaining, 206.410156 MB of memory in use. ENERGY: 3213800 755.1507 2114.5898 1973.1361 119.7236 -206517.7996 18054.9824 0.0000 0.0000 34199.5195 -149300.6976 298.6729 -183500.2170 -149205.8938 298.9381 90.3282 119.9864 557930.8655 6.6140 6.6510 PRESSURE: 3214000 507.612 21.0947 -17.2987 21.0936 -162.451 101.639 -17.2999 101.642 124.193 GPRESSURE: 3214000 564.479 -19.0114 -4.95767 -31.1349 -107.308 140.915 -3.7146 191.051 102.709 PRESSAVG: 3214000 -28.8569 -40.9071 4.41785 -40.9071 -43.0529 -8.15921 4.4178 -8.15907 38.3378 GPRESSAVG: 3214000 -29.0468 -40.8914 3.86275 -41.271 -42.3461 -8.48374 7.33963 -8.01297 38.1163 TIMING: 3214000 CPU: 9604.27, 0.00305345/step Wall: 9604.27, 0.00305345/step, 1.51485 hours remaining, 206.410156 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: 3214000 727.5167 2089.8461 1960.4587 109.2726 -206489.0414 18071.2929 0.0000 0.0000 34158.0133 -149372.6411 298.3104 -183530.6544 -149275.5774 299.1324 156.4510 186.6266 556325.9662 -11.1907 -11.0922 PRESSURE: 3214200 -61.313 148.899 146.371 148.898 -76.5168 43.0114 146.37 43.0118 150.764 GPRESSURE: 3214200 -46.7932 145.262 131.268 188.201 -17.039 -3.84538 115.541 70.1793 181.091 PRESSAVG: 3214200 18.0768 24.2159 3.54088 24.2159 -93.2786 -25.9543 3.54088 -25.9544 63.2021 GPRESSAVG: 3214200 18.8442 23.9559 3.50395 23.0208 -93.0416 -26.256 2.99499 -25.814 62.3481 TIMING: 3214200 CPU: 9604.88, 0.00304793/step Wall: 9604.88, 0.00304793/step, 1.51194 hours remaining, 206.410156 MB of memory in use. ENERGY: 3214200 738.0927 2049.0462 1957.3199 119.1159 -206767.1536 17996.8948 0.0000 0.0000 34316.1765 -149590.5076 299.6917 -183906.6841 -149499.1830 299.2861 4.3114 39.0863 557316.5175 -3.9999 -3.9497 PRESSURE: 3214400 -187.541 -93.3702 108.204 -93.3704 -317.348 41.8523 108.205 41.8531 165.146 GPRESSURE: 3214400 -172.097 -90.5959 230.14 -145.699 -295.83 41.2642 93.5662 -17.3789 215.769 PRESSAVG: 3214400 27.3518 47.5701 24.3491 47.57 -10.3039 -22.6583 24.349 -22.6582 -20.8612 GPRESSAVG: 3214400 26.3556 47.3336 22.2768 45.6302 -10.6759 -21.7718 25.5525 -23.8286 -19.9979 TIMING: 3214400 CPU: 9605.49, 0.00304252/step Wall: 9605.49, 0.00304252/step, 1.50909 hours remaining, 206.410156 MB of memory in use. ENERGY: 3214400 786.4384 2044.3932 1960.8159 104.9380 -206244.2931 17644.9310 0.0000 0.0000 34135.7199 -149567.0566 298.1157 -183702.7765 -149472.3197 298.5610 -113.2478 -84.0529 558395.0199 -1.2711 -1.4394 PRESSURE: 3214600 127.6 24.6752 160.1 24.6748 -202.473 -23.165 160.1 -23.1654 240.191 GPRESSURE: 3214600 129.623 26.2345 155.657 64.6715 -160.514 -58.8082 169.073 -27.812 294.28 PRESSAVG: 3214600 -16.861 20.4377 40.3293 20.4378 -22.738 -19.8022 40.3293 -19.8021 40.2309 GPRESSAVG: 3214600 -15.8143 19.5619 40.8454 22.5869 -23.6453 -21.586 40.5626 -15.524 40.5394 TIMING: 3214600 CPU: 9606.1, 0.00304723/step Wall: 9606.1, 0.00304723/step, 1.51126 hours remaining, 206.410156 MB of memory in use. ENERGY: 3214600 748.8837 2031.3700 1928.3862 108.2045 -206493.8740 17994.3711 0.0000 0.0000 34165.7239 -149516.9346 298.3778 -183682.6585 -149415.6155 298.6000 55.1060 87.7964 556889.4145 0.2106 0.3599 PRESSURE: 3214800 1.36156 200.851 30.4934 200.852 51.4846 6.70872 30.4938 6.70885 -17.5766 GPRESSURE: 3214800 48.904 186.085 -17.3172 227.767 58.5357 2.18476 51.929 70.4467 2.86412 PRESSAVG: 3214800 -1.92551 20.8905 85.6979 20.8905 -4.67363 -11.23 85.6978 -11.2301 -2.26185 GPRESSAVG: 3214800 -2.7047 20.7748 83.9893 20.8461 -3.83059 -10.0606 85.9439 -14.1942 -3.05908 TIMING: 3214800 CPU: 9606.71, 0.00303866/step Wall: 9606.71, 0.00303866/step, 1.50684 hours remaining, 206.410156 MB of memory in use. ENERGY: 3214800 744.4013 2119.5913 1948.4085 115.8052 -206606.0524 17793.9701 0.0000 0.0000 34377.3659 -149506.5100 300.2261 -183883.8759 -149409.1823 298.4540 11.7565 36.7679 556572.0042 -2.9537 -3.1981 PRESSURE: 3215000 10.5778 59.4762 19.4131 59.4759 59.0349 7.95622 19.412 7.95462 -21.0019 GPRESSURE: 3215000 44.7884 -23.3034 87.0161 83.2228 117.557 -127.863 53.9703 8.55967 -27.4595 PRESSAVG: 3215000 4.31181 39.632 40.0905 39.6321 72.2454 -36.5146 40.0905 -36.5146 -28.0388 GPRESSAVG: 3215000 5.13611 39.9196 39.9175 41.4502 72.1372 -37.717 39.4921 -36.003 -28.1517 TIMING: 3215000 CPU: 9607.32, 0.00305229/step Wall: 9607.32, 0.00305229/step, 1.51342 hours remaining, 206.410156 MB of memory in use. ENERGY: 3215000 715.0577 2048.6162 1930.5341 114.3125 -205993.8585 17802.5144 0.0000 0.0000 34133.7413 -149249.0823 298.0985 -183382.8236 -149154.3878 299.1958 16.2036 44.9619 558235.3697 16.1728 16.3739 PRESSURE: 3215200 -106.694 -50.4224 82.1123 -50.4209 -137.671 31.4246 82.112 31.4258 -110.307 GPRESSURE: 3215200 -52.549 47.4929 126.748 -88.0833 -91.8975 -67.0082 70.782 -23.303 -104.462 PRESSAVG: 3215200 16.3643 11.3139 56.1297 11.3138 31.9963 5.57239 56.1297 5.57235 -30.0242 GPRESSAVG: 3215200 16.721 13.6757 56.7754 9.11329 31.4724 6.57749 57.5253 4.4667 -30.1886 TIMING: 3215200 CPU: 9607.93, 0.00303674/step Wall: 9607.93, 0.00303674/step, 1.50555 hours remaining, 206.410156 MB of memory in use. ENERGY: 3215200 740.1972 2040.5566 1956.9822 115.5752 -206225.5029 17703.6407 0.0000 0.0000 34409.9368 -149258.6144 300.5105 -183668.5512 -149158.0897 298.7888 -118.2240 -82.9694 558749.2110 6.1121 6.0016 PRESSURE: 3215400 -95.4895 85.8349 54.9111 85.8347 -261.953 81.4863 54.9104 81.4854 -48.3201 GPRESSURE: 3215400 -88.0795 139.722 70.8212 11.4309 -213.385 165.756 66.5099 96.1109 -6.31893 PRESSAVG: 3215400 15.0073 -61.7363 54.0009 -61.7365 8.31258 -4.91182 54.0011 -4.91188 -45.9282 GPRESSAVG: 3215400 15.0187 -64.1868 54.0795 -61.4638 6.88649 -6.06132 52.8753 -3.56754 -44.6017 TIMING: 3215400 CPU: 9608.53, 0.00303135/step Wall: 9608.53, 0.00303135/step, 1.50271 hours remaining, 206.410156 MB of memory in use. ENERGY: 3215400 719.4950 2139.0970 1937.7850 108.6399 -206397.8500 17746.9613 0.0000 0.0000 34420.1626 -149325.7092 300.5998 -183745.8718 -149222.5682 299.7442 -135.2544 -102.5943 559411.4474 -7.5361 -7.5655 PRESSURE: 3215600 231.11 -37.317 -71.9294 -37.3178 102.934 -107.549 -71.9297 -107.549 -42.7317 GPRESSURE: 3215600 225.456 -2.55652 -54.7239 17.6902 219.7 -96.8995 -55.5146 -94.5993 -56.7151 PRESSAVG: 3215600 1.44943 -36.5608 22.1512 -36.5609 -2.31604 -12.5767 22.1511 -12.5766 -36.0654 GPRESSAVG: 3215600 1.395 -37.0598 21.8536 -36.8448 -2.29181 -11.716 21.9411 -12.2077 -35.8265 TIMING: 3215600 CPU: 9609.14, 0.00302581/step Wall: 9609.14, 0.00302581/step, 1.4998 hours remaining, 206.410156 MB of memory in use. ENERGY: 3215600 744.9140 2074.2680 1952.0087 120.9344 -205956.2131 17930.6214 0.0000 0.0000 34019.2375 -149114.2291 297.0985 -183133.4666 -149020.2707 298.8056 97.1043 129.4801 556624.5994 -12.3107 -12.2411 PRESSURE: 3215800 -14.4172 24.7133 96.7936 24.7131 48.997 -75.8368 96.7945 -75.8363 -23.1926 GPRESSURE: 3215800 80.2304 58.6329 135.326 -66.7898 42.9284 -116.264 55.5417 -81.3385 -13.9149 PRESSAVG: 3215800 -12.9129 12.9402 -5.52453 12.9402 33.3836 -5.98237 -5.52458 -5.98244 -1.16352 GPRESSAVG: 3215800 -12.8867 11.4807 -5.5667 14.4616 35.149 -5.90323 -4.06094 -7.96104 -2.81215 TIMING: 3215800 CPU: 9609.74, 0.00302582/step Wall: 9609.74, 0.00302582/step, 1.49963 hours remaining, 206.410156 MB of memory in use. ENERGY: 3215800 708.0212 2078.9549 1964.4351 112.1499 -205584.9488 17589.1413 0.0000 0.0000 34310.2580 -148821.9883 299.6400 -183132.2464 -148719.7994 300.0704 3.7957 36.4146 557403.4529 6.4357 6.4834 PRESSURE: 3216000 -103.438 -98.7015 61.4048 -98.7028 258.934 -45.6789 61.4056 -45.6808 118.42 GPRESSURE: 3216000 -30.79 -20.4089 -5.97285 -31.9808 245.482 -69.9555 108.955 49.6363 152.059 PRESSAVG: 3216000 -40.7503 7.75838 -9.67557 7.75836 11.4166 22.716 -9.67558 22.716 13.2433 GPRESSAVG: 3216000 -40.3529 10.6444 -11.0745 7.05349 10.715 23.9188 -9.89901 22.4805 13.5426 TIMING: 3216000 CPU: 9610.35, 0.00301898/step Wall: 9610.35, 0.00301898/step, 1.49607 hours remaining, 206.410156 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: 3216000 721.1209 2065.6565 1955.4062 107.6651 -205768.8603 17870.9683 0.0000 0.0000 34351.2830 -148696.7603 299.9983 -183048.0433 -148594.5024 300.4522 91.3053 122.2504 557189.9348 -5.3635 -5.3651 PRESSURE: 3216200 -192.246 -41.2025 -72.1056 -41.2037 -52.2236 169.271 -72.1058 169.27 -12.098 GPRESSURE: 3216200 -128.411 -20.1741 -20.3977 -57.0968 -40.8505 189.448 -73.1616 147.56 5.08825 PRESSAVG: 3216200 -21.0597 -18.6616 -30.0914 -18.6618 -35.3884 70.0436 -30.0915 70.0434 26.8811 GPRESSAVG: 3216200 -19.3104 -21.5535 -29.1268 -19.3735 -36.9076 67.9777 -31.6596 70.1143 26.4892 TIMING: 3216200 CPU: 9610.95, 0.0030092/step Wall: 9610.95, 0.0030092/step, 1.49106 hours remaining, 206.410156 MB of memory in use. ENERGY: 3216200 713.8315 2078.5890 1915.3503 127.1913 -205877.6024 17641.8303 0.0000 0.0000 34562.8921 -148837.9178 301.8463 -183400.8099 -148740.5960 300.5137 -85.5226 -54.7244 557367.4517 -9.8557 -9.9096 LDB: ============= START OF LOAD BALANCING ============== 9614.38 LDB: ============== END OF LOAD BALANCING =============== 9614.38 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9614.38 LDB: ============= START OF LOAD BALANCING ============== 9614.68 LDB: Largest compute 4819 load 0.027732 is 23.5% of average load 0.118174 LDB: Average compute 0.001747 is 1.5% of average load 0.118174 LDB: TIME 9614.69 LOAD: AVG 0.118174 MAX 0.207547 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.156 MB LDB: TIME 9614.69 LOAD: AVG 0.118174 MAX 0.207547 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.219 MB LDB: TIME 9614.69 LOAD: AVG 0.118174 MAX 0.207547 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.219 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9614.69 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9614.69 PRESSURE: 3216400 -406.356 -58.1114 -4.16503 -58.1104 -78.5252 -15.2004 -4.16457 -15.1998 -279.934 GPRESSURE: 3216400 -405.012 -107.028 -49.9119 -127.504 -55.926 18.953 3.92212 -46.15 -203.508 PRESSAVG: 3216400 -45.3604 15.534 -42.9525 15.5341 16.8545 41.9464 -42.9524 41.9463 -17.9029 GPRESSAVG: 3216400 -46.4126 20.1217 -42.5925 13.5888 17.8071 42.9669 -43.3369 41.911 -17.6913 TIMING: 3216400 CPU: 9611.56, 0.00307333/step Wall: 9611.56, 0.00307333/step, 1.52266 hours remaining, 205.429688 MB of memory in use. ENERGY: 3216400 738.3897 2100.7694 1953.0443 110.2882 -205932.0093 17463.8301 0.0000 0.0000 34624.0382 -148941.6493 302.3803 -183565.6875 -148846.1716 301.0354 -254.9382 -221.4822 558267.3810 -15.4696 -15.4322 PRESSURE: 3216600 -75.2429 -80.2253 -53.8255 -80.2252 -123.796 -94.4756 -53.827 -94.4766 65.3478 GPRESSURE: 3216600 0.825572 -144.313 -87.5288 -11.9207 -82.9752 -169.182 -26.797 -61.4557 43.8683 PRESSAVG: 3216600 21.3936 -36.3637 0.602042 -36.3637 -25.9707 12.2398 0.60206 12.2397 9.37555 GPRESSAVG: 3216600 20.9911 -39.8775 -0.111713 -34.6784 -24.7563 10.5048 1.23116 13.4402 8.94081 TIMING: 3216600 CPU: 9612.17, 0.00301265/step Wall: 9612.17, 0.00301265/step, 1.49243 hours remaining, 205.429688 MB of memory in use. ENERGY: 3216600 750.5335 2042.9805 1956.7422 106.5248 -205978.7085 17832.4022 0.0000 0.0000 34274.0763 -149015.4490 299.3240 -183289.5253 -148922.9221 300.7014 -44.5637 -12.7605 557797.8888 1.5995 1.7252 PRESSURE: 3216800 53.6549 3.56446 129.198 3.56275 23.201 -80.2349 129.198 -80.2326 -288.079 GPRESSURE: 3216800 99.8621 -19.9584 35.2893 57.5283 39.1227 -66.0114 153.577 -133.527 -255.343 PRESSAVG: 3216800 -6.30898 -13.8771 -17.6125 -13.877 20.4945 -8.04538 -17.6125 -8.0454 -4.56004 GPRESSAVG: 3216800 -6.9149 -12.5488 -18.6627 -14.8662 20.1559 -5.83717 -18.0056 -10.3273 -4.30209 TIMING: 3216800 CPU: 9612.77, 0.00300808/step Wall: 9612.77, 0.00300808/step, 1.49 hours remaining, 205.429688 MB of memory in use. ENERGY: 3216800 745.0373 2080.9228 1957.1488 119.3236 -205996.6423 17907.0208 0.0000 0.0000 34178.9639 -149008.2251 298.4934 -183187.1890 -148902.4301 300.3677 -70.4076 -38.7860 558091.7929 3.2085 2.9796 PRESSURE: 3217000 -267.777 13.6068 -278.618 13.6072 -170.766 144.256 -278.616 144.256 -73.9048 GPRESSURE: 3217000 -215.744 11.9098 -197.441 22.3228 -102.4 56.5878 -298.512 124.48 -100.423 PRESSAVG: 3217000 7.79196 -48.8726 -5.09845 -48.8726 -39.5435 6.76703 -5.09849 6.76697 32.8349 GPRESSAVG: 3217000 9.73714 -48.8317 -4.30477 -47.9889 -41.234 6.89866 -6.81373 7.34471 33.214 TIMING: 3217000 CPU: 9613.37, 0.00300293/step Wall: 9613.37, 0.00300293/step, 1.48728 hours remaining, 205.429688 MB of memory in use. ENERGY: 3217000 730.3759 2108.1472 1959.4275 117.4979 -205845.6815 17539.6333 0.0000 0.0000 34352.5972 -149038.0025 300.0098 -183390.5997 -148942.7018 299.7131 -170.8158 -139.5223 558074.9119 0.3611 0.5724 PRESSURE: 3217200 -192.485 -16.1565 98.044 -16.1557 -80.4244 -20.9144 98.0426 -20.9137 -273.294 GPRESSURE: 3217200 -144.162 -0.687261 144.695 -14.554 -86.9004 -24.7473 130.645 -19.9936 -216.767 PRESSAVG: 3217200 45.0888 -5.24438 41.4787 -5.24445 9.12395 5.737 41.4787 5.73693 -53.5317 GPRESSAVG: 3217200 44.28 -6.55666 43.8577 -5.49256 9.95112 4.83035 41.5446 6.22458 -53.4896 TIMING: 3217200 CPU: 9613.97, 0.00301557/step Wall: 9613.97, 0.00301557/step, 1.49338 hours remaining, 205.429688 MB of memory in use. ENERGY: 3217200 765.2454 2084.4698 1961.8103 123.0044 -205989.3272 17677.1384 0.0000 0.0000 34290.6769 -149086.9820 299.4690 -183377.6589 -148985.9780 299.6352 -182.0679 -149.2765 558697.5569 0.2270 0.2472 PRESSURE: 3217400 48.6238 -97.1417 51.1469 -97.1414 -77.0129 210.627 51.1455 210.626 -145.695 GPRESSURE: 3217400 92.8652 -110.921 76.6626 -90.0972 -35.0866 202.658 125.152 242.797 -110.83 PRESSAVG: 3217400 12.3611 -35.6533 19.4229 -35.6533 -6.56467 16.5752 19.4229 16.5753 -42.3348 GPRESSAVG: 3217400 12.8961 -35.3968 18.8305 -34.8288 -7.4268 16.959 21.5344 18.5016 -41.8318 TIMING: 3217400 CPU: 9614.58, 0.0030346/step Wall: 9614.58, 0.0030346/step, 1.50263 hours remaining, 205.429688 MB of memory in use. ENERGY: 3217400 755.7786 2091.7605 1954.2580 120.4362 -206187.2735 17773.3032 0.0000 0.0000 34251.5172 -149240.2198 299.1270 -183491.7370 -149150.6271 298.5106 -58.0279 -17.6839 556943.4095 -12.1794 -12.1209 PRESSURE: 3217600 -145.73 26.3992 -23.5237 26.3992 -202.861 -32.0257 -23.5225 -32.0272 -71.2948 GPRESSURE: 3217600 -147.991 -33.2861 -0.708676 104.572 -150.13 -43.9265 -7.20689 -95.2008 -21.8434 PRESSAVG: 3217600 82.4284 -51.1313 34.9643 -51.1314 19.4453 0.165837 34.9643 0.165768 -99.6024 GPRESSAVG: 3217600 81.9948 -51.4205 33.7566 -50.0704 20.3512 1.48456 34.452 -2.0804 -99.9537 TIMING: 3217600 CPU: 9615.18, 0.00302596/step Wall: 9615.18, 0.00302596/step, 1.49819 hours remaining, 205.429688 MB of memory in use. ENERGY: 3217600 728.2041 2027.2076 1949.1898 115.4715 -205961.8243 17625.1440 0.0000 0.0000 34335.5086 -149181.0988 299.8605 -183516.6073 -149091.5967 299.0527 -139.9619 -106.6549 558427.5161 0.7571 0.7975 PRESSURE: 3217800 -115.575 -138.667 33.8704 -138.668 198.916 -2.33714 33.8707 -2.33757 142.138 GPRESSURE: 3217800 -99.2603 -98.4201 37.9557 -127.386 193.576 -39.214 -8.81515 -72.6603 226.622 PRESSAVG: 3217800 -11.0698 -51.6143 0.15821 -51.6143 -36.6805 27.3093 0.158266 27.3093 43.5869 GPRESSAVG: 3217800 -11.0351 -49.9053 1.7678 -53.5577 -36.4418 28.2225 -1.38803 25.0909 43.1718 TIMING: 3217800 CPU: 9615.79, 0.00303697/step Wall: 9615.79, 0.00303697/step, 1.50347 hours remaining, 205.429688 MB of memory in use. ENERGY: 3217800 751.6698 2118.8944 1954.2313 98.7555 -206457.3494 18053.7354 0.0000 0.0000 34333.2334 -149146.8296 299.8407 -183480.0630 -149052.2289 298.7746 75.1595 106.9793 558319.8740 -1.3878 -1.4350 PRESSURE: 3218000 -94.9373 126.915 41.7969 126.914 -34.3884 -30.2688 41.7969 -30.2681 -71.1598 GPRESSURE: 3218000 -45.1238 74.9102 46.504 164.271 -30.4128 13.7977 31.4409 36.1543 -35.3798 PRESSAVG: 3218000 -2.96164 -7.62115 7.3091 -7.62129 -94.332 -12.9363 7.30916 -12.9363 73.3148 GPRESSAVG: 3218000 -2.96373 -8.23814 6.03185 -7.98137 -95.7056 -14.7163 9.33864 -10.5121 74.068 TIMING: 3218000 CPU: 9616.4, 0.00305129/step Wall: 9616.4, 0.00305129/step, 1.51039 hours remaining, 205.429688 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: 3218000 758.5182 2068.7746 1952.4232 113.6768 -205917.7929 17563.9614 0.0000 0.0000 34287.2597 -149173.1789 299.4392 -183460.4386 -149079.4075 299.5613 -66.8285 -36.9721 557598.0324 -7.9929 -8.2005 PRESSURE: 3218200 -43.7323 -36.2086 -115.061 -36.2089 -43.23 29.0646 -115.059 29.0654 -15.9973 GPRESSURE: 3218200 -44.3294 73.5538 -70.8866 -43.5676 -30.0009 -52.3172 -221.755 69.6096 69.7161 PRESSAVG: 3218200 21.2971 -16.9373 -11.757 -16.9373 -102.458 13.748 -11.757 13.7477 37.9874 GPRESSAVG: 3218200 21.4373 -16.6972 -10.7717 -16.5047 -102.634 12.9866 -13.317 12.7217 38.3362 TIMING: 3218200 CPU: 9617.01, 0.00304301/step Wall: 9617.01, 0.00304301/step, 1.50612 hours remaining, 205.429688 MB of memory in use. ENERGY: 3218200 771.5293 2090.8591 1962.7083 114.0904 -206318.2637 17860.3802 0.0000 0.0000 34284.5957 -149234.1007 299.4159 -183518.6964 -149135.6613 299.4270 -34.3199 -1.5381 555744.0402 -14.3912 -14.2869 PRESSURE: 3218400 27.1843 28.6744 75.5925 28.6739 15.7485 16.4942 75.5923 16.4941 -81.2282 GPRESSURE: 3218400 32.4754 -4.27107 106.71 65.5789 43.5177 -16.0215 45.9081 58.2915 -22.5007 PRESSAVG: 3218400 34.0819 28.4064 -15.4326 28.4065 -81.5901 25.5215 -15.4327 25.5214 83.0644 GPRESSAVG: 3218400 34.4967 27.7449 -16.9993 28.4101 -80.9462 27.3499 -13.4178 25.7555 81.9848 TIMING: 3218400 CPU: 9617.61, 0.0030212/step Wall: 9617.61, 0.0030212/step, 1.49516 hours remaining, 205.429688 MB of memory in use. ENERGY: 3218400 758.3015 2087.5205 1925.4114 121.6574 -206254.3114 17717.8914 0.0000 0.0000 34414.5283 -149229.0009 300.5506 -183643.5292 -149132.3025 299.6783 -12.7651 17.8308 556047.7632 11.8521 11.8451 PRESSURE: 3218600 213.001 -108.532 26.4156 -108.532 101.124 -80.0401 26.4149 -80.0408 28.0479 GPRESSURE: 3218600 257.974 -124.056 122.854 -26.7701 121.678 -118.476 -25.9697 25.6342 67.2525 PRESSAVG: 3218600 32.1888 10.007 -5.98388 10.007 12.8841 62.3207 -5.98394 62.3207 20.293 GPRESSAVG: 3218600 32.3043 9.72549 -4.7796 9.88054 13.0234 61.3259 -5.92005 65.5884 19.5238 TIMING: 3218600 CPU: 9618.22, 0.00303792/step Wall: 9618.22, 0.00303792/step, 1.50326 hours remaining, 205.429688 MB of memory in use. ENERGY: 3218600 755.4497 2096.8815 1966.6079 115.5550 -206332.9907 17972.1865 0.0000 0.0000 34394.6619 -149031.6483 300.3771 -183426.3102 -148928.3879 300.0937 114.0574 148.9683 555554.7764 21.7886 21.6172 PRESSURE: 3218800 44.8981 -21.7447 -19.8163 -21.7461 194.068 37.0563 -19.8158 37.0558 -355.377 GPRESSURE: 3218800 122.06 15.233 57.7636 -54.4703 236.113 -1.86313 16.0433 35.3871 -377.873 PRESSAVG: 3218800 -33.4529 -38.539 21.7928 -38.539 46.0434 -13.3947 21.7927 -13.3947 -23.3083 GPRESSAVG: 3218800 -33.9028 -37.0801 21.0231 -37.0421 44.8904 -13.4617 21.7383 -15.1105 -22.025 TIMING: 3218800 CPU: 9618.83, 0.00305118/step Wall: 9618.83, 0.00305118/step, 1.50966 hours remaining, 205.429688 MB of memory in use. ENERGY: 3218800 723.1272 2071.8073 1973.5744 120.6974 -205774.1864 17489.3432 0.0000 0.0000 34381.1213 -149014.5155 300.2589 -183395.6368 -148922.8304 300.0491 -38.8036 -6.5664 556541.3021 -3.5726 -3.6791 PRESSURE: 3219000 345.918 -103.452 99.0807 -103.453 -77.4895 -0.149464 99.0811 -0.148673 -152.812 GPRESSURE: 3219000 312.539 -63.2864 74.5546 -166.864 -66.9319 13.6619 12.8391 -45.0247 -36.5594 PRESSAVG: 3219000 68.2934 -55.6782 22.8483 -55.6782 -11.6677 23.5506 22.8483 23.5506 -69.5019 GPRESSAVG: 3219000 69.3841 -56.5468 23.0622 -57.0283 -11.1798 23.4818 21.6642 23.8396 -71.7208 TIMING: 3219000 CPU: 9619.44, 0.00303346/step Wall: 9619.44, 0.00303346/step, 1.50072 hours remaining, 205.429688 MB of memory in use. ENERGY: 3219000 770.2745 2199.1644 1911.8203 103.2587 -206207.4221 17759.5263 0.0000 0.0000 34446.3548 -149017.0232 300.8286 -183463.3780 -148928.0703 300.4884 38.5387 69.6825 556022.3015 -4.2921 -4.5055 PRESSURE: 3219200 21.4577 24.0853 -96.6343 24.0862 -108.394 33.1687 -96.6334 33.1682 182.42 GPRESSURE: 3219200 25.3672 -16.6186 -153.563 -15.6687 -63.0584 -15.258 4.35671 96.8389 226.443 PRESSAVG: 3219200 38.1479 -23.1826 -4.79173 -23.1826 -37.6469 -26.8797 -4.79172 -26.8798 4.79476 GPRESSAVG: 3219200 36.4464 -22.1244 -5.30467 -24.1546 -36.5707 -26.5499 -5.47327 -26.463 5.22898 TIMING: 3219200 CPU: 9620.05, 0.00304715/step Wall: 9620.05, 0.00304715/step, 1.50732 hours remaining, 205.429688 MB of memory in use. ENERGY: 3219200 735.3543 2062.0666 1971.2660 114.5516 -205937.2952 17753.9773 0.0000 0.0000 34378.4669 -148921.6126 300.2357 -183300.0795 -148814.4295 299.8680 31.8279 62.9174 556589.7018 1.7653 1.7016 PRESSURE: 3219400 69.8054 53.3401 -68.5646 53.3402 -114.981 -142.745 -68.5624 -142.746 87.2027 GPRESSURE: 3219400 106.412 -26.9769 -116.958 104.873 -111.496 -107.46 -16.1869 -144.732 139.3 PRESSAVG: 3219400 -10.949 -71.8956 -36.9921 -71.8955 -3.37946 -76.6749 -36.992 -76.6749 64.0256 GPRESSAVG: 3219400 -10.7757 -73.4452 -35.7976 -69.4385 -4.35297 -74.368 -34.4594 -76.7336 64.6701 TIMING: 3219400 CPU: 9620.65, 0.00303577/step Wall: 9620.65, 0.00303577/step, 1.50153 hours remaining, 205.429688 MB of memory in use. ENERGY: 3219400 739.1275 2099.5332 1975.0939 115.1601 -206009.0369 17740.4185 0.0000 0.0000 34364.5813 -148975.1223 300.1144 -183339.7036 -148879.1240 299.9219 14.0091 44.7382 556849.9640 16.5657 16.5138 PRESSURE: 3219600 50.6324 102.495 -70.316 102.497 155.78 -22.6668 -70.3152 -22.6666 141.073 GPRESSURE: 3219600 85.9038 147.574 -52.5174 69.6491 159.796 48.1411 -87.7557 -76.3657 201.16 PRESSAVG: 3219600 33.4589 -25.5962 -60.5481 -25.5963 -54.086 -53.1064 -60.5481 -53.1065 31.6885 GPRESSAVG: 3219600 32.9902 -25.4803 -61.6207 -24.7923 -54.0007 -54.3907 -60.5397 -53.7532 31.8888 TIMING: 3219600 CPU: 9621.26, 0.00304607/step Wall: 9621.26, 0.00304607/step, 1.50645 hours remaining, 205.429688 MB of memory in use. ENERGY: 3219600 736.4813 2062.9084 1949.0416 118.2142 -206242.9809 17909.9846 0.0000 0.0000 34249.9599 -149216.3910 299.1134 -183466.3509 -149119.1586 299.6711 115.8285 148.9533 556109.1835 3.6871 3.6261 PRESSURE: 3219800 -167.642 -99.4835 -165.538 -99.4818 -1.93162 150.364 -165.538 150.364 49.5152 GPRESSURE: 3219800 -116.173 -38.6139 -111.916 -97.8689 81.811 151.49 -139.293 198.054 3.89215 PRESSAVG: 3219800 20.3396 -2.00395 6.51832 -2.00393 -2.99561 73.9077 6.51825 73.9077 3.89961 GPRESSAVG: 3219800 19.995 -1.59893 7.41323 -3.20161 -2.44575 72.6319 5.42411 76.2616 3.60431 TIMING: 3219800 CPU: 9621.87, 0.00302637/step Wall: 9621.87, 0.00302637/step, 1.49654 hours remaining, 205.429688 MB of memory in use. ENERGY: 3219800 742.7296 2111.0801 1971.0856 105.5819 -206040.3521 17741.9237 0.0000 0.0000 34065.8753 -149302.0760 297.5058 -183367.9512 -149209.9976 299.7259 -40.0193 -10.1565 556665.9814 7.0812 7.0512 PRESSURE: 3220000 -100.034 -73.3904 -82.2311 -73.3908 -152.278 92.2303 -82.2305 92.2294 -275.15 GPRESSURE: 3220000 -134.924 -40.0363 -119.474 -162.45 -87.9555 122.193 -90.3501 68.568 -193.93 PRESSAVG: 3220000 11.5146 -9.44848 -43.9724 -9.44859 -10.0398 -26.9799 -43.9723 -26.98 -44.2337 GPRESSAVG: 3220000 12.3861 -9.56667 -44.1687 -10.4851 -11.1584 -26.2883 -43.0764 -29.1394 -44.1461 TIMING: 3220000 CPU: 9622.47, 0.0030046/step Wall: 9622.47, 0.0030046/step, 1.48561 hours remaining, 205.429688 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: 3220000 777.7497 2063.7435 1948.4570 104.3727 -206292.3792 17755.1744 0.0000 0.0000 34194.1192 -149448.7627 298.6257 -183642.8818 -149357.0008 299.1759 -175.8204 -138.9367 557140.3508 -14.2530 -14.3061 PRESSURE: 3220200 129.647 127.932 -19.6851 127.933 112.951 -9.32756 -19.6853 -9.32607 -240.566 GPRESSURE: 3220200 159.14 26.2178 71.5662 127.988 123.575 29.0322 -190.578 -0.0236274 -184.519 PRESSAVG: 3220200 17.1659 -31.5928 12.6841 -31.5928 -9.12217 74.5008 12.684 74.5007 36.1244 GPRESSAVG: 3220200 17.3052 -30.94 12.7259 -32.5392 -8.6081 74.6342 11.2673 74.8144 36.1491 TIMING: 3220200 CPU: 9623.08, 0.00303622/step Wall: 9623.08, 0.00303622/step, 1.50107 hours remaining, 205.429688 MB of memory in use. ENERGY: 3220200 725.2924 2069.9108 1938.7974 108.1756 -206311.8261 17835.2613 0.0000 0.0000 34253.7651 -149380.6234 299.1467 -183634.3885 -149283.9265 298.8414 0.6775 32.7321 556927.8411 14.7227 14.9487 LDB: ============= START OF LOAD BALANCING ============== 9626.51 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9626.51 LDB: =============== DONE WITH MIGRATION ================ 9626.51 LDB: ============= START OF LOAD BALANCING ============== 9626.81 LDB: Largest compute 4819 load 0.029399 is 24.9% of average load 0.118032 LDB: Average compute 0.001741 is 1.5% of average load 0.118032 LDB: TIME 9626.81 LOAD: AVG 0.118032 MAX 0.209475 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 9626.81 LOAD: AVG 0.118032 MAX 0.209475 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: TIME 9626.81 LOAD: AVG 0.118032 MAX 0.209475 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 9626.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9626.82 PRESSURE: 3220400 148.151 -19.8179 -248.776 -19.8181 168.036 10.7696 -248.777 10.7695 -119.354 GPRESSURE: 3220400 203.755 14.7955 -181.008 -97.7813 149.244 14.6251 -177.598 -10.2934 -70.1468 PRESSAVG: 3220400 17.7532 -28.9504 -4.27154 -28.9504 -20.1375 12.0388 -4.27157 12.0387 0.119044 GPRESSAVG: 3220400 17.7174 -28.6931 -6.08074 -27.7162 -20.0588 10.8068 -2.64409 13.6503 -0.230921 TIMING: 3220400 CPU: 9623.69, 0.0030702/step Wall: 9623.69, 0.0030702/step, 1.5177 hours remaining, 206.000000 MB of memory in use. ENERGY: 3220400 726.4596 2069.1378 1948.9578 125.8681 -206213.7993 17997.3541 0.0000 0.0000 34119.2538 -149226.7680 297.9719 -183346.0218 -149139.8836 299.1505 65.6110 94.2840 558790.9378 -0.7551 -0.8574 PRESSURE: 3220600 -186.459 -165.927 19.0112 -165.927 -385.783 85.0171 19.0118 85.0176 -97.8776 GPRESSURE: 3220600 -157.84 -115.227 147.401 -152.294 -330.992 22.178 -111.728 128.378 -105.774 PRESSAVG: 3220600 42.4543 17.4878 1.20341 17.4878 -14.4028 -7.15407 1.20341 -7.15405 12.3055 GPRESSAVG: 3220600 41.9442 15.3558 0.60646 19.0672 -15.9102 -6.18373 2.98025 -9.10876 14.0853 TIMING: 3220600 CPU: 9624.3, 0.00304571/step Wall: 9624.3, 0.00304571/step, 1.50543 hours remaining, 206.000000 MB of memory in use. ENERGY: 3220600 718.7641 2045.8792 1967.5846 117.5871 -205790.6586 17566.5644 0.0000 0.0000 34294.5331 -149079.7460 299.5027 -183374.2792 -148976.3102 299.4397 -223.3733 -198.2019 559749.1254 13.4523 13.3731 PRESSURE: 3220800 -48.0835 4.20089 27.1824 4.20101 -3.81611 -63.0389 27.1838 -63.04 -94.8977 GPRESSURE: 3220800 59.5249 6.39288 39.8764 -39.3784 -26.9578 -79.1607 -28.8828 -26.0533 -77.7859 PRESSAVG: 3220800 -2.70986 -91.5209 -13.1811 -91.5209 -16.085 35.4748 -13.1812 35.4747 -1.18628 GPRESSAVG: 3220800 -2.04218 -91.5105 -10.512 -92.7379 -14.8334 37.1302 -14.4659 36.2699 -3.07251 TIMING: 3220800 CPU: 9624.91, 0.0030371/step Wall: 9624.91, 0.0030371/step, 1.501 hours remaining, 206.000000 MB of memory in use. ENERGY: 3220800 743.2997 2086.2241 1952.0915 117.2562 -205781.6677 17631.9607 0.0000 0.0000 34226.9262 -149023.9093 298.9123 -183250.8355 -148929.9111 299.3320 -48.9324 -15.0729 557776.8542 -6.6604 -6.6493 PRESSURE: 3221000 20.0399 -65.0038 -84.2647 -65.0032 -254.293 -21.7036 -84.2653 -21.7039 171.617 GPRESSURE: 3221000 -6.1501 -80.6181 -8.34784 -93.9344 -206.634 5.05141 -21.5611 8.15458 245.292 PRESSAVG: 3221000 -25.6815 5.66072 -17.0737 5.66074 -58.6674 22.638 -17.0737 22.638 -6.57385 GPRESSAVG: 3221000 -26.605 7.61147 -16.7805 4.5463 -59.5258 22.1327 -19.2677 23.0058 -4.92025 TIMING: 3221000 CPU: 9625.52, 0.00304883/step Wall: 9625.52, 0.00304883/step, 1.50663 hours remaining, 206.000000 MB of memory in use. ENERGY: 3221000 778.2807 2080.5253 1944.3580 105.4207 -206211.8321 17749.5720 0.0000 0.0000 34524.1204 -149029.5550 301.5077 -183553.6754 -148927.3226 299.6973 -20.8786 10.8359 557711.8713 -30.3076 -30.3503 PRESSURE: 3221200 98.5152 132.798 -74.9268 132.797 -133.881 45.4412 -74.926 45.4416 -108.815 GPRESSURE: 3221200 140.835 220.539 -12.0167 15.3153 -115.244 -12.752 -19.4619 27.4933 -72.9351 PRESSAVG: 3221200 -48.4167 -1.64298 -11.3717 -1.64295 -17.7934 -17.8711 -11.3718 -17.8713 5.80291 GPRESSAVG: 3221200 -48.8604 -3.65171 -14.0389 1.07092 -16.3405 -17.9437 -10.331 -19.4189 4.53853 TIMING: 3221200 CPU: 9626.12, 0.00301709/step Wall: 9626.12, 0.00301709/step, 1.49078 hours remaining, 206.000000 MB of memory in use. ENERGY: 3221200 769.1617 2099.1745 1956.3671 123.1267 -206149.4093 17931.4594 0.0000 0.0000 34185.8704 -149084.2496 298.5537 -183270.1199 -148982.1207 299.8540 -48.0600 -15.7812 557918.9724 -20.1357 -20.2208 PRESSURE: 3221400 27.841 36.242 88.1528 36.2414 -121.355 -10.9331 88.1527 -10.9331 -129.587 GPRESSURE: 3221400 64.7922 40.4862 41.5948 -15.1292 -97.7673 7.78568 68.6807 50.758 -91.2682 PRESSAVG: 3221400 -28.6752 -23.0365 -24.7928 -23.0365 1.96784 28.4324 -24.7928 28.4323 57.7922 GPRESSAVG: 3221400 -26.9116 -23.2937 -24.9986 -25.1484 1.42398 28.9129 -23.9019 29.9249 56.6503 TIMING: 3221400 CPU: 9626.72, 0.00301935/step Wall: 9626.72, 0.00301935/step, 1.49173 hours remaining, 206.000000 MB of memory in use. ENERGY: 3221400 748.4390 2082.2132 1932.5005 116.2893 -205611.5826 17602.9564 0.0000 0.0000 34092.0753 -149037.1089 297.7346 -183129.1842 -148940.8024 300.1795 -74.3671 -41.4144 558026.7518 10.3616 10.3876 PRESSURE: 3221600 -87.4826 1.10815 23.0888 1.107 133.89 153.875 23.0885 153.876 59.6413 GPRESSURE: 3221600 -84.2691 33.244 27.9553 40.9122 186.406 9.50345 -14.3835 194.477 90.4689 PRESSAVG: 3221600 -31.0458 23.2881 -1.97172 23.288 33.6705 15.9452 -1.97163 15.9452 1.99829 GPRESSAVG: 3221600 -32.1117 23.1175 -1.81226 22.7297 33.4915 15.7155 -2.23656 14.8766 2.75948 TIMING: 3221600 CPU: 9627.33, 0.0030076/step Wall: 9627.33, 0.0030076/step, 1.48576 hours remaining, 206.000000 MB of memory in use. ENERGY: 3221600 730.0504 2104.6770 1950.5887 114.2099 -205985.4823 17823.2391 0.0000 0.0000 34184.1489 -149078.5683 298.5387 -183262.7172 -148986.0105 299.1381 35.3494 64.2020 558213.1823 1.5410 1.3798 PRESSURE: 3221800 150.366 -46.1306 113.958 -46.1323 121.415 115.002 113.958 115.002 -291.915 GPRESSURE: 3221800 187.314 -68.5147 98.9979 -100.009 102.527 226.76 113.758 27.297 -209.725 PRESSAVG: 3221800 -32.282 0.15335 6.56691 0.153337 13.8551 97.467 6.56688 97.4669 24.4273 GPRESSAVG: 3221800 -33.1293 -0.493802 6.79585 0.392056 14.1965 98.8501 5.16557 96.4169 24.844 TIMING: 3221800 CPU: 9627.93, 0.00302387/step Wall: 9627.93, 0.00302387/step, 1.49362 hours remaining, 206.000000 MB of memory in use. ENERGY: 3221800 734.2275 2042.9423 1950.5080 102.7112 -206317.0787 17908.9712 0.0000 0.0000 34473.4764 -149104.2422 301.0654 -183577.7186 -149016.4327 299.5278 -6.7114 26.7053 558607.7023 2.0001 1.9704 PRESSURE: 3222000 105.431 10.7654 -100.81 10.7672 -81.9824 51.527 -100.81 51.5284 -53.4938 GPRESSURE: 3222000 125.587 15.3331 -24.1307 23.89 -23.5651 51.8123 -74.8811 40.0979 -32.439 PRESSAVG: 3222000 60.4499 2.27514 -9.45224 2.27533 -6.03103 74.0885 -9.45224 74.0885 -91.6444 GPRESSAVG: 3222000 60.8156 3.15509 -8.28753 1.59729 -5.28724 72.302 -8.08605 76.0416 -92.6758 TIMING: 3222000 CPU: 9628.54, 0.00302786/step Wall: 9628.54, 0.00302786/step, 1.49543 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: 3222000 707.3706 2070.1826 1934.5139 115.2702 -206159.2638 17834.0744 0.0000 0.0000 34408.3269 -149089.5252 300.4965 -183497.8521 -148991.9305 299.6463 -10.0150 23.1943 559208.2404 -12.4085 -12.3825 PRESSURE: 3222200 -15.7244 173.278 -149.352 173.278 -76.5947 142.453 -149.351 142.451 -46.8815 GPRESSURE: 3222200 68.8287 144.769 -171.28 170.036 -20.9421 133.742 -169.414 169.984 -88.2578 PRESSAVG: 3222200 -44.9587 -23.1569 -6.94209 -23.1569 31.7572 26.6039 -6.94209 26.6038 -8.60438 GPRESSAVG: 3222200 -44.7516 -23.0632 -5.80352 -22.4555 31.0806 27.0398 -8.61897 26.2057 -9.04135 TIMING: 3222200 CPU: 9629.14, 0.0030159/step Wall: 9629.14, 0.0030159/step, 1.48935 hours remaining, 206.000000 MB of memory in use. ENERGY: 3222200 781.0908 2076.7008 1961.9163 111.2814 -205749.5471 17763.5473 0.0000 0.0000 34064.2759 -148990.7345 297.4918 -183055.0104 -148890.0991 299.5361 -46.4002 -13.4571 559035.6771 -7.2686 -7.5708 PRESSURE: 3222400 79.3715 -400.567 69.9046 -400.567 -61.1042 44.1358 69.904 44.1351 93.3162 GPRESSURE: 3222400 71.5687 -374.571 88.752 -396.526 2.85416 -36.5729 64.0288 123.156 152.878 PRESSAVG: 3222400 65.7191 -29.1204 -41.4841 -29.1203 -18.721 22.6117 -41.4843 22.6117 -8.18237 GPRESSAVG: 3222400 64.3778 -27.4203 -41.636 -28.9801 -18.5527 21.0616 -40.2147 23.0378 -7.00984 TIMING: 3222400 CPU: 9629.75, 0.0030358/step Wall: 9629.75, 0.0030358/step, 1.49901 hours remaining, 206.000000 MB of memory in use. ENERGY: 3222400 785.2761 2052.1664 1978.9803 129.1167 -206289.2086 18045.5045 0.0000 0.0000 34329.7308 -148968.4338 299.8101 -183298.1647 -148868.5639 299.5140 37.1945 75.7670 558942.6073 12.9386 12.9384 PRESSURE: 3222600 -350.257 -248.342 -103.966 -248.342 166.083 76.7989 -103.965 76.7981 -283.786 GPRESSURE: 3222600 -300.429 -278.85 -46.3933 -172.726 153.086 17.0978 -164.685 79.5455 -221.8 PRESSAVG: 3222600 -31.8361 -6.95971 -10.3664 -6.95977 10.061 54.4295 -10.3664 54.4295 -30.4919 GPRESSAVG: 3222600 -29.8522 -8.32047 -10.7083 -6.58474 9.30161 54.2918 -8.9111 53.517 -32.3158 TIMING: 3222600 CPU: 9630.35, 0.00302724/step Wall: 9630.35, 0.00302724/step, 1.49462 hours remaining, 206.000000 MB of memory in use. ENERGY: 3222600 753.4906 2050.2626 1967.5271 104.8023 -205903.0696 17571.6517 0.0000 0.0000 34224.5903 -149230.7449 298.8919 -183455.3352 -149134.4550 299.4225 -155.9866 -123.0477 558577.6201 -17.4223 -17.6222 PRESSURE: 3222800 -291.846 63.0737 -69.6768 63.0736 19.6224 -35.9976 -69.6767 -35.999 -114.821 GPRESSURE: 3222800 -223.628 32.8679 -49.9947 31.3642 60.1044 -96.62 -113.386 58.8349 -117.961 PRESSAVG: 3222800 4.44259 21.5645 -6.9443 21.5644 23.2729 16.0897 -6.94425 16.0898 -3.24142 GPRESSAVG: 3222800 3.50797 21.7747 -5.34693 20.75 23.8732 15.5862 -9.66213 16.8679 -2.72639 TIMING: 3222800 CPU: 9630.95, 0.00300208/step Wall: 9630.95, 0.00300208/step, 1.48202 hours remaining, 206.000000 MB of memory in use. ENERGY: 3222800 758.9331 2111.9905 1960.2095 116.7987 -206021.2365 17550.5474 0.0000 0.0000 34248.4894 -149274.2680 299.1006 -183522.7574 -149177.9137 299.9614 -129.0150 -93.8281 556615.8321 8.1580 8.2183 PRESSURE: 3223000 48.8935 14.6088 48.9255 14.6092 -38.7728 -80.0513 48.9243 -80.0508 49.8304 GPRESSURE: 3223000 80.9141 -28.5984 75.4298 5.49557 -8.49563 -82.7236 33.0226 -104.428 88.4381 PRESSAVG: 3223000 70.1167 -1.19032 37.5494 -1.19028 -24.7494 15.7757 37.5495 15.7757 -4.11388 GPRESSAVG: 3223000 70.5584 -1.09634 33.6836 -0.373275 -25.7098 16.3965 39.2905 17.3493 -3.92675 TIMING: 3223000 CPU: 9631.56, 0.00302675/step Wall: 9631.56, 0.00302675/step, 1.49404 hours remaining, 206.000000 MB of memory in use. ENERGY: 3223000 743.8557 2140.4264 1961.0397 110.8613 -206335.3433 17901.2819 0.0000 0.0000 34305.5068 -149172.3716 299.5985 -183477.8783 -149078.0280 299.3240 19.9837 53.6188 556577.4549 13.7511 13.6406 PRESSURE: 3223200 -128.582 185.487 110.426 185.487 -110.091 18.8671 110.426 18.8656 -363.053 GPRESSURE: 3223200 -120.237 107.132 145.396 141.353 -72.83 -23.0897 51.4164 35.8778 -301.483 PRESSAVG: 3223200 28.564 19.5164 -38.4418 19.5164 -8.44843 22.1486 -38.4418 22.1487 -23.8505 GPRESSAVG: 3223200 26.5519 17.5977 -35.5996 18.4295 -7.41994 22.662 -38.4891 19.8868 -23.0026 TIMING: 3223200 CPU: 9632.16, 0.00302786/step Wall: 9632.16, 0.00302786/step, 1.49442 hours remaining, 206.000000 MB of memory in use. ENERGY: 3223200 749.9468 2134.1935 1938.7969 127.8253 -205932.9548 17622.2291 0.0000 0.0000 34225.9334 -149134.0298 298.9036 -183359.9632 -149035.2481 298.9758 -200.5755 -164.8499 558732.3909 -1.2450 -1.2902 PRESSURE: 3223400 169.753 -20.7508 -5.64874 -20.7518 -10.7478 209.834 -5.64851 209.834 -7.73199 GPRESSURE: 3223400 239.505 21.4508 65.6454 -74.8803 11.7728 140.089 -58.3584 202.949 -12.666 PRESSAVG: 3223400 14.6429 15.203 -30.4935 15.203 8.50104 39.0341 -30.4935 39.0341 -23.2791 GPRESSAVG: 3223400 15.6442 14.8225 -31.2195 14.1071 7.93574 38.0307 -31.0952 40.1131 -23.8293 TIMING: 3223400 CPU: 9632.77, 0.00301921/step Wall: 9632.77, 0.00301921/step, 1.48998 hours remaining, 206.000000 MB of memory in use. ENERGY: 3223400 744.8773 2128.9086 1960.2034 114.4883 -206389.1083 17945.5506 0.0000 0.0000 34281.3300 -149213.7499 299.3874 -183495.0800 -149126.7790 299.7260 50.4245 79.5374 558193.2039 -0.0450 -0.0831 PRESSURE: 3223600 -100.774 82.0248 -84.0262 82.024 -171.176 -117.407 -84.0269 -117.407 -56.8928 GPRESSURE: 3223600 -88.6791 84.3331 -73.3129 52.0895 -84.5469 -81.902 -70.8752 -99.7211 -58.9993 PRESSAVG: 3223600 2.95642 -36.4609 14.7779 -36.461 -85.9919 -38.1475 14.7778 -38.1475 39.6959 GPRESSAVG: 3223600 1.78938 -35.8358 13.6464 -34.3036 -85.9255 -38.0117 17.1677 -38.5258 40.5342 TIMING: 3223600 CPU: 9633.37, 0.00302161/step Wall: 9633.37, 0.00302161/step, 1.491 hours remaining, 206.000000 MB of memory in use. ENERGY: 3223600 691.3832 2128.4538 1962.9563 112.4836 -205839.8767 17577.2568 0.0000 0.0000 34192.8062 -149174.5368 298.6143 -183367.3429 -149074.0700 299.3669 -109.6141 -77.4085 558531.0452 -14.4465 -14.5340 PRESSURE: 3223800 -215.989 242.152 22.4957 242.151 61.6917 266.417 22.4955 266.415 38.2465 GPRESSURE: 3223800 -167.884 266.073 25.4637 190.861 56.818 163.847 21.7596 198.74 91.7095 PRESSAVG: 3223800 -23.6125 51.9126 40.6874 51.9126 1.07558 -32.175 40.6874 -32.1751 28.731 GPRESSAVG: 3223800 -23.0453 51.6566 40.9944 51.5163 0.656985 -32.3027 39.1397 -31.2294 28.5677 TIMING: 3223800 CPU: 9633.98, 0.00303303/step Wall: 9633.98, 0.00303303/step, 1.49647 hours remaining, 206.000000 MB of memory in use. ENERGY: 3223800 754.6735 2074.2519 1975.5392 116.0884 -206095.3709 17770.3411 0.0000 0.0000 34357.9188 -149046.5579 300.0563 -183404.4768 -148948.0984 299.6200 -38.6836 -6.4521 556650.4957 2.0647 2.0598 PRESSURE: 3224000 418.8 -87.6553 159.54 -87.6545 222.306 49.7418 159.539 49.7394 -22.0038 GPRESSURE: 3224000 410.318 -136.53 178.724 -18.1743 280.101 22.9782 202.724 40.4842 15.1558 PRESSAVG: 3224000 -18.2033 -14.0177 -15.5075 -14.0177 -26.4336 -3.7947 -15.5074 -3.79479 23.5273 GPRESSAVG: 3224000 -19.2403 -13.5612 -14.9051 -13.3872 -23.5559 -2.47357 -14.618 -4.83549 21.6053 TIMING: 3224000 CPU: 9634.59, 0.00303992/step Wall: 9634.59, 0.00303992/step, 1.49969 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: 3224000 740.8943 2106.8881 1970.8852 119.6569 -206420.8434 18011.5315 0.0000 0.0000 34522.1944 -148948.7929 301.4909 -183470.9873 -148851.7885 300.4843 206.3676 235.1915 556290.0730 -7.0365 -7.0636 PRESSURE: 3224200 137.286 159.866 -25.2752 159.866 15.7891 170.709 -25.2767 170.708 87.5889 GPRESSURE: 3224200 125.435 135.321 -19.0423 228.036 60.3544 238.37 -89.8149 109.649 146.049 PRESSAVG: 3224200 -13.6 47.4273 38.1449 47.4273 -3.43836 14.9449 38.1449 14.9449 27.2996 GPRESSAVG: 3224200 -13.0775 47.3777 35.699 45.4866 -4.59321 13.9975 38.6472 15.268 28.1787 TIMING: 3224200 CPU: 9635.19, 0.00303724/step Wall: 9635.19, 0.00303724/step, 1.4982 hours remaining, 206.000000 MB of memory in use. ENERGY: 3224200 712.2925 2138.8111 1926.8589 120.6073 -205878.1397 17803.1311 0.0000 0.0000 34257.9587 -148918.4801 299.1833 -183176.4387 -148832.2729 300.2387 80.2214 110.6130 556544.1893 3.4204 3.5027 LDB: ============= START OF LOAD BALANCING ============== 9638.63 LDB: ============== END OF LOAD BALANCING =============== 9638.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9638.63 LDB: ============= START OF LOAD BALANCING ============== 9638.93 LDB: Largest compute 4820 load 0.030215 is 25.6% of average load 0.118102 LDB: Average compute 0.001744 is 1.5% of average load 0.118102 LDB: TIME 9638.93 LOAD: AVG 0.118102 MAX 0.211505 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.867 MB LDB: TIME 9638.94 LOAD: AVG 0.118102 MAX 0.211505 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: TIME 9638.94 LOAD: AVG 0.118102 MAX 0.211505 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9638.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9638.94 PRESSURE: 3224400 81.9642 74.5407 66.4679 74.5413 167.669 -8.45553 66.4689 -8.45376 41.5414 GPRESSURE: 3224400 123.561 75.3216 23.5533 49.12 228.041 -9.92074 132.747 -21.5591 39.661 PRESSAVG: 3224400 23.6842 20.0036 30.1142 20.0036 -33.0066 -50.7211 30.1141 -50.721 29.9849 GPRESSAVG: 3224400 24.3198 20.3637 32.4004 19.8784 -33.9337 -50.4353 30.492 -50.8957 30.2028 TIMING: 3224400 CPU: 9635.81, 0.00309126/step Wall: 9635.81, 0.00309126/step, 1.52468 hours remaining, 206.511719 MB of memory in use. ENERGY: 3224400 720.3241 2105.2608 1939.3106 126.9177 -206112.1502 17949.0013 0.0000 0.0000 34365.7446 -148905.5912 300.1246 -183271.3358 -148809.3497 300.1659 97.0582 130.4211 557326.7784 6.8875 6.8629 PRESSURE: 3224600 112.74 24.1167 9.41057 24.1176 26.7701 -90.2875 9.40991 -90.2867 97.6794 GPRESSURE: 3224600 75.2967 31.2661 28.7908 60.3651 48.6087 26.5721 -9.10029 -99.2352 208.369 PRESSAVG: 3224600 -23.6487 12.0627 -15.9614 12.0627 27.0155 -47.7787 -15.9614 -47.7787 33.0048 GPRESSAVG: 3224600 -23.9474 10.2974 -15.3964 13.9701 26.8645 -45.6403 -17.2735 -47.1555 33.3206 TIMING: 3224600 CPU: 9636.41, 0.00301534/step Wall: 9636.41, 0.00301534/step, 1.48707 hours remaining, 206.511719 MB of memory in use. ENERGY: 3224600 759.0266 2089.0808 1944.3171 114.5308 -206350.5400 17902.3983 0.0000 0.0000 34356.6278 -149184.5585 300.0450 -183541.1864 -149082.7879 299.4973 79.0633 110.7582 557166.7519 12.1239 12.0792 PRESSURE: 3224800 -94.1683 8.97806 146.348 8.978 -79.4856 -39.7427 146.347 -39.7427 -144.079 GPRESSURE: 3224800 -72.2487 -60.2521 135.054 39.0705 -27.971 -108.521 166.559 -29.6496 -117.583 PRESSAVG: 3224800 36.3137 -27.7904 -42.0708 -27.7903 15.3727 -2.30262 -42.0709 -2.30267 -49.3856 GPRESSAVG: 3224800 35.868 -27.6343 -42.6688 -26.6493 16.9128 -5.27688 -42.4561 -2.65017 -50.5124 TIMING: 3224800 CPU: 9637.02, 0.00300642/step Wall: 9637.02, 0.00300642/step, 1.4825 hours remaining, 206.511719 MB of memory in use. ENERGY: 3224800 753.3220 2143.6192 1931.5779 121.3061 -206155.8647 17643.9767 0.0000 0.0000 34323.8669 -149238.1960 299.7589 -183562.0629 -149137.2835 299.5757 -105.9108 -72.6009 557497.1213 0.7669 0.7561 PRESSURE: 3225000 325.407 54.6927 39.6262 54.6919 178.654 -87.6177 39.6246 -87.6177 126.826 GPRESSURE: 3225000 380.558 54.892 14.5901 110.428 231.493 -104.583 29.5784 -61.2426 121.366 PRESSAVG: 3225000 4.67708 10.2978 -27.128 10.2977 -38.0665 -11.3437 -27.128 -11.3438 11.5147 GPRESSAVG: 3225000 5.65397 11.1334 -26.5733 8.90541 -38.4699 -10.445 -26.6525 -12.0559 11.674 TIMING: 3225000 CPU: 9637.61, 0.00299216/step Wall: 9637.61, 0.00299216/step, 1.4753 hours remaining, 206.511719 MB of memory in use. ENERGY: 3225000 752.4671 2066.6109 1934.3178 109.8934 -206611.3838 18199.9318 0.0000 0.0000 34290.3431 -149257.8198 299.4661 -183548.1628 -149160.0327 298.3426 210.2958 244.4724 557437.2497 -7.2916 -7.0473 PRESSURE: 3225200 245.923 180.063 -6.64433 180.063 60.8537 174.958 -6.64516 174.955 -59.963 GPRESSURE: 3225200 274.224 240.461 58.7363 109.532 88.4369 215.743 10.2786 105.786 -9.52087 PRESSAVG: 3225200 36.0745 -7.0649 -14.241 -7.06499 -27.2156 37.6453 -14.2412 37.6452 -5.06125 GPRESSAVG: 3225200 35.5495 -5.44484 -15.4302 -8.15329 -27.4304 37.8934 -13.7328 37.1961 -4.02868 TIMING: 3225200 CPU: 9638.22, 0.00300955/step Wall: 9638.22, 0.00300955/step, 1.48371 hours remaining, 206.511719 MB of memory in use. ENERGY: 3225200 736.9498 2151.4086 1928.5374 118.7486 -206149.2760 17901.1382 0.0000 0.0000 33960.7024 -149351.7910 296.5873 -183312.4935 -149262.4813 298.0096 82.2713 117.7132 557448.9345 1.2659 1.3635 PRESSURE: 3225400 122.03 -102.318 10.2341 -102.319 63.6482 -74.8763 10.235 -74.8748 129.992 GPRESSURE: 3225400 194.922 -18.7219 3.78506 -183.136 121.826 -48.3004 51.4294 -81.319 104.674 PRESSAVG: 3225400 57.0911 -37.1372 30.7288 -37.1372 -44.878 32.6542 30.7288 32.6542 24.8183 GPRESSAVG: 3225400 59.0325 -39.0246 31.5368 -35.7305 -46.0677 32.9322 30.787 32.9856 24.6553 TIMING: 3225400 CPU: 9638.82, 0.00302568/step Wall: 9638.82, 0.00302568/step, 1.49149 hours remaining, 206.511719 MB of memory in use. ENERGY: 3225400 764.5745 2088.4253 1919.4202 123.3470 -206203.3439 17758.0372 0.0000 0.0000 34349.1192 -149200.4205 299.9794 -183549.5397 -149103.1779 299.3707 105.2233 140.4741 554747.7105 12.3438 12.5400 PRESSURE: 3225600 14.7153 60.2159 14.3642 60.216 -153.736 85.1441 14.3655 85.144 -146.91 GPRESSURE: 3225600 20.3612 62.6925 75.8948 37.5432 -70.9544 63.0758 13.8071 60.548 -144.22 PRESSAVG: 3225600 30.5294 48.9136 -31.6928 48.9137 -55.846 -46.4581 -31.6928 -46.458 22.3978 GPRESSAVG: 3225600 29.148 49.9894 -31.5402 47.1059 -54.421 -47.8579 -31.4234 -45.5472 22.6604 TIMING: 3225600 CPU: 9639.43, 0.0030316/step Wall: 9639.43, 0.0030316/step, 1.49424 hours remaining, 206.511719 MB of memory in use. ENERGY: 3225600 717.0137 2106.2350 1956.6068 119.1184 -206129.8200 17588.4578 0.0000 0.0000 34287.5845 -149354.8037 299.4420 -183642.3882 -149260.0820 299.3226 -95.3104 -64.9378 556225.0830 -0.9729 -0.8708 PRESSURE: 3225800 -46.364 51.4331 -154.807 51.433 -208.448 -5.59271 -154.807 -5.59201 -29.0773 GPRESSURE: 3225800 -22.863 20.9106 -141.08 -12.0549 -143.537 44.6819 -86.2115 18.3206 -23.2226 PRESSAVG: 3225800 56.1543 43.0011 -28.5116 43.0011 -60.4802 -7.87643 -28.5116 -7.87655 0.341288 GPRESSAVG: 3225800 55.6409 39.4839 -28.6122 45.0712 -59.5031 -7.73288 -28.793 -8.36478 0.0788701 TIMING: 3225800 CPU: 9640.03, 0.00302758/step Wall: 9640.03, 0.00302758/step, 1.49209 hours remaining, 206.511719 MB of memory in use. ENERGY: 3225800 750.4974 2097.3623 1981.2338 125.1843 -206036.0141 17682.1181 0.0000 0.0000 34136.2463 -149263.3720 298.1203 -183399.6183 -149173.6357 299.3486 -94.6297 -63.2076 555968.2692 -1.3282 -1.2611 PRESSURE: 3226000 -351.637 -176.058 31.0353 -176.057 -273.92 55.2833 31.035 55.2818 -150.271 GPRESSURE: 3226000 -340.529 -189.728 -38.135 -105.769 -265.523 19.2522 10.6827 26.8911 -69.7724 PRESSAVG: 3226000 -35.0809 15.0641 5.29587 15.064 27.9979 5.63296 5.29587 5.63289 51.0979 GPRESSAVG: 3226000 -34.3332 16.0615 4.75181 15.6463 25.5563 5.9203 5.98518 5.97644 52.2814 TIMING: 3226000 CPU: 9640.64, 0.00302117/step Wall: 9640.64, 0.00302117/step, 1.48877 hours remaining, 206.511719 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: 3226000 753.7244 2121.8197 1934.6628 105.7638 -205917.7977 17587.5258 0.0000 0.0000 34101.7886 -149312.5127 297.8194 -183414.3013 -149219.0349 299.3300 -258.6096 -225.2750 557723.3088 14.6716 14.5015 PRESSURE: 3226200 -227.648 -34.3979 64.5623 -34.3963 -176.203 -102.514 64.5644 -102.514 109.888 GPRESSURE: 3226200 -131.465 -9.19583 40.5687 -150.594 -143.712 -91.1263 30.37 -65.5456 80.9917 PRESSAVG: 3226200 -86.4485 23.6801 15.1057 23.6801 -46.1534 -31.8824 15.1056 -31.8824 95.7461 GPRESSAVG: 3226200 -86.2189 24.6109 15.0717 21.9304 -44.902 -31.1116 15.6768 -31.7935 93.8766 TIMING: 3226200 CPU: 9641.24, 0.00302806/step Wall: 9641.24, 0.00302806/step, 1.49199 hours remaining, 206.511719 MB of memory in use. ENERGY: 3226200 766.3698 2098.6675 1943.8422 109.5291 -206002.7859 17681.1543 0.0000 0.0000 34104.4821 -149298.7411 297.8429 -183403.2232 -149203.8962 298.8559 -97.9876 -64.7286 557559.8763 -12.2853 -12.4148 PRESSURE: 3226400 -151.252 174.699 75.389 174.7 -95.311 28.0458 75.3893 28.0471 -39.6362 GPRESSURE: 3226400 -148.636 189.506 48.6835 134.25 -29.6255 43.1936 152.699 23.574 6.042 PRESSAVG: 3226400 -27.8216 43.8196 24.5787 43.8196 23.89 -42.1381 24.5787 -42.1382 9.57701 GPRESSAVG: 3226400 -28.932 44.684 25.8782 43.1826 24.2643 -41.1804 24.8912 -43.3519 10.4805 TIMING: 3226400 CPU: 9641.84, 0.00299557/step Wall: 9641.84, 0.00299557/step, 1.47582 hours remaining, 206.511719 MB of memory in use. ENERGY: 3226400 691.0138 2082.5319 1938.6709 110.0931 -206084.7290 17571.2237 0.0000 0.0000 34180.4854 -149510.7101 298.5067 -183691.1955 -149414.0630 298.8106 -95.3997 -57.4064 556540.5514 1.8818 1.9376 PRESSURE: 3226600 160.378 -81.8121 44.1272 -81.8139 -69.1279 -52.0516 44.128 -52.0533 -229.86 GPRESSURE: 3226600 194.657 -205.048 105.213 -76.8281 -75.7041 0.217025 -22.2938 -50.9004 -162.812 PRESSAVG: 3226600 12.9432 19.7419 27.8489 19.7419 -0.680504 -38.194 27.8489 -38.194 -17.5025 GPRESSAVG: 3226600 13.7853 19.5789 27.1682 18.9244 -2.40356 -38.2326 28.2721 -37.6158 -17.0763 TIMING: 3226600 CPU: 9642.44, 0.00300902/step Wall: 9642.44, 0.00300902/step, 1.48228 hours remaining, 206.511719 MB of memory in use. ENERGY: 3226600 800.1754 2124.2730 1915.6114 118.9601 -206498.9691 17893.0980 0.0000 0.0000 34137.5155 -149509.3356 298.1314 -183646.8510 -149414.5558 299.1331 -46.2032 -14.6197 555589.9522 -1.7466 -1.8982 PRESSURE: 3226800 -46.4405 -99.2096 1.61659 -99.2096 -14.4431 -91.7919 1.61601 -91.7916 -102.384 GPRESSURE: 3226800 -4.80416 -139.732 -29.832 -82.9027 17.0933 -110.893 45.7016 -56.0962 -76.7266 PRESSAVG: 3226800 12.9214 -62.3319 56.7611 -62.3319 -63.7266 -19.611 56.7611 -19.611 49.3117 GPRESSAVG: 3226800 11.4672 -64.1633 55.1566 -59.2029 -62.7334 -19.4957 56.6357 -19.9706 50.0201 TIMING: 3226800 CPU: 9643.05, 0.0030155/step Wall: 9643.05, 0.0030155/step, 1.4853 hours remaining, 206.511719 MB of memory in use. ENERGY: 3226800 744.4289 2080.9583 1952.3205 97.0961 -206436.1560 17853.5060 0.0000 0.0000 34282.6630 -149425.1832 299.3990 -183707.8462 -149329.5930 298.5512 -54.4225 -21.4792 556428.4349 -0.4979 -0.4154 PRESSURE: 3227000 100.663 117.271 43.6526 117.27 147.158 -73.4978 43.652 -73.4966 131.368 GPRESSURE: 3227000 143.129 -4.14096 70.0676 80.2688 208.186 -108.535 12.3841 -36.2599 116.631 PRESSAVG: 3227000 -17.4465 37.3494 33.5327 37.3494 2.41784 -59.906 33.5326 -59.9059 8.12888 GPRESSAVG: 3227000 -15.7206 39.8311 33.9722 32.7789 2.73611 -61.9957 32.4547 -58.0884 6.0821 TIMING: 3227000 CPU: 9643.66, 0.0030585/step Wall: 9643.66, 0.0030585/step, 1.50631 hours remaining, 206.511719 MB of memory in use. ENERGY: 3227000 734.7754 2068.3344 1949.6931 114.6427 -206340.1272 17937.1593 0.0000 0.0000 34188.4840 -149347.0383 298.5765 -183535.5223 -149259.1719 299.4478 126.3965 155.9822 556429.8869 -2.2999 -2.3008 PRESSURE: 3227200 -67.8326 91.9123 106.405 91.9113 26.2247 -30.2991 106.407 -30.2999 273.999 GPRESSURE: 3227200 -28.4052 41.1658 91.2066 68.1158 33.4848 29.0282 89.9043 -58.7073 337.178 PRESSAVG: 3227200 -7.04958 -10.4628 -13.802 -10.4628 -16.2019 -31.1106 -13.8019 -31.1105 21.0411 GPRESSAVG: 3227200 -7.68859 -10.1482 -13.3329 -8.55098 -16.6144 -28.6133 -15.8556 -33.2328 22.0591 TIMING: 3227200 CPU: 9644.28, 0.00309131/step Wall: 9644.28, 0.00309131/step, 1.5223 hours remaining, 206.511719 MB of memory in use. ENERGY: 3227200 761.8719 2055.1435 1935.0396 126.9858 -205929.3908 17862.1260 0.0000 0.0000 33941.2609 -149246.9632 296.4175 -183188.2241 -149153.5165 298.6110 77.4637 114.0857 558140.3627 -0.7368 -0.7480 PRESSURE: 3227400 -312.386 -74.3282 -55.5833 -74.3273 -273.287 -68.3158 -55.5836 -68.3155 -263.287 GPRESSURE: 3227400 -239.362 -121.706 -20.6366 -119.685 -270.188 88.1433 -73.9143 -156.559 -245.311 PRESSAVG: 3227400 -54.3645 -36.6289 60.2265 -36.6289 -35.0917 -49.4456 60.2265 -49.4457 78.9322 GPRESSAVG: 3227400 -53.6625 -39.7524 60.9039 -32.8292 -34.3356 -51.4319 61.1898 -47.0893 77.0529 TIMING: 3227400 CPU: 9644.89, 0.00306205/step Wall: 9644.89, 0.00306205/step, 1.50772 hours remaining, 206.511719 MB of memory in use. ENERGY: 3227400 761.2066 2084.4727 1939.8767 101.9048 -205626.9563 17349.8294 0.0000 0.0000 34152.9900 -149236.6761 298.2666 -183389.6661 -149138.0951 298.8431 -282.9870 -251.6205 558061.4969 -3.5080 -3.6484 PRESSURE: 3227600 135.311 -69.3931 79.4498 -69.3939 -119.743 -63.7118 79.4484 -63.712 67.09 GPRESSURE: 3227600 145.215 -99.8779 112.271 90.8611 -55.3014 -31.6636 60.8554 -167.191 82.7401 PRESSAVG: 3227600 -53.8971 -54.1352 25.1888 -54.1352 -42.3702 1.61483 25.1888 1.61481 42.9651 GPRESSAVG: 3227600 -54.654 -53.1938 23.7801 -55.676 -42.0152 2.11769 28.4275 1.82014 43.2568 TIMING: 3227600 CPU: 9645.5, 0.0030496/step Wall: 9645.5, 0.0030496/step, 1.50142 hours remaining, 206.511719 MB of memory in use. ENERGY: 3227600 727.9551 2069.6753 1966.6468 124.2016 -206023.7061 17727.7988 0.0000 0.0000 34346.4655 -149060.9629 299.9562 -183407.4285 -148966.6070 299.6246 27.5529 57.5514 558370.3924 -17.7674 -17.8041 PRESSURE: 3227800 -199.88 97.7123 185.866 97.7117 -15.2745 78.2795 185.867 78.2801 -172.354 GPRESSURE: 3227800 -135.199 67.8039 170.354 114.919 -7.55165 73.8482 257.605 187.726 -154.817 PRESSAVG: 3227800 51.0745 -37.1697 42.4771 -37.1697 -14.5242 -40.2422 42.477 -40.2422 -35.9403 GPRESSAVG: 3227800 50.9631 -35.7523 42.3579 -38.1437 -15.1553 -41.186 39.4879 -39.6872 -35.0476 TIMING: 3227800 CPU: 9646.1, 0.00302017/step Wall: 9646.1, 0.00302017/step, 1.48676 hours remaining, 206.511719 MB of memory in use. ENERGY: 3227800 783.2205 2131.0048 1938.4509 127.4241 -206192.9115 17709.7362 0.0000 0.0000 34401.3517 -149101.7232 300.4356 -183503.0749 -149002.0925 300.5240 -129.1695 -99.1893 558141.3391 0.2033 0.2534 PRESSURE: 3228000 167.167 110.559 -158.136 110.558 -291.677 120.367 -158.136 120.367 -138.196 GPRESSURE: 3228000 266.302 61.2333 -131.788 164.143 -298.541 -13.4696 -148.464 181.532 -138.1 PRESSAVG: 3228000 -5.30356 -56.0151 -2.06329 -56.0152 27.4375 31.8062 -2.0632 31.8062 -24.9935 GPRESSAVG: 3228000 -5.2162 -56.1374 -0.884848 -57.308 28.4738 33.8833 -1.81591 29.6586 -25.9508 TIMING: 3228000 CPU: 9646.72, 0.00305777/step Wall: 9646.72, 0.00305777/step, 1.5051 hours remaining, 206.511719 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: 3228000 763.2895 2055.2611 1964.4987 108.3484 -206093.6097 17778.3527 0.0000 0.0000 34406.1475 -149017.7118 300.4774 -183423.8593 -148920.5189 300.0569 -87.5686 -56.7793 558536.8999 -0.9532 -0.8977 PRESSURE: 3228200 -98.201 -93.827 -19.0348 -93.8269 143.458 62.3641 -19.0341 62.3662 -14.2676 GPRESSURE: 3228200 -64.0462 -20.3834 26.0073 -104.648 143.464 100.226 -53.6417 76.5289 54.989 PRESSAVG: 3228200 49.1275 50.9246 -74.2205 50.9245 43.7317 5.78132 -74.2204 5.78133 -69.9671 GPRESSAVG: 3228200 49.9232 51.512 -73.7601 52.8343 42.3218 3.54482 -73.7443 5.96089 -69.7467 TIMING: 3228200 CPU: 9647.32, 0.00304083/step Wall: 9647.32, 0.00304083/step, 1.49659 hours remaining, 206.511719 MB of memory in use. ENERGY: 3228200 754.5715 2099.2975 1929.9187 134.9507 -206507.8546 17996.5611 0.0000 0.0000 34378.4430 -149214.1122 300.2355 -183592.5552 -149117.5732 300.2334 10.3296 44.8024 557454.0082 7.6307 7.4994 LDB: ============= START OF LOAD BALANCING ============== 9650.76 LDB: ============== END OF LOAD BALANCING =============== 9650.76 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9650.76 LDB: ============= START OF LOAD BALANCING ============== 9651.06 LDB: Largest compute 4820 load 0.027973 is 23.7% of average load 0.118075 LDB: Average compute 0.001738 is 1.5% of average load 0.118075 LDB: TIME 9651.07 LOAD: AVG 0.118075 MAX 0.213188 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 9651.07 LOAD: AVG 0.118075 MAX 0.213188 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: TIME 9651.07 LOAD: AVG 0.118075 MAX 0.213188 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9651.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9651.07 PRESSURE: 3228400 -34.9248 171.403 48.8974 171.404 61.6698 -187.74 48.8965 -187.739 -216.734 GPRESSURE: 3228400 -7.68374 111.196 -59.3243 170.789 26.7347 -179.075 68.4869 -189.676 -130.554 PRESSAVG: 3228400 71.3621 30.1717 -15.8707 30.1717 -9.3 -27.7418 -15.8707 -27.7418 -69.7093 GPRESSAVG: 3228400 70.2707 28.5226 -16.1305 28.9895 -9.09918 -28.2837 -16.6993 -26.3042 -68.6233 TIMING: 3228400 CPU: 9647.94, 0.00310168/step Wall: 9647.94, 0.00310168/step, 1.52637 hours remaining, 206.511719 MB of memory in use. ENERGY: 3228400 740.0010 2051.1339 1940.1645 121.0178 -206320.0897 17797.5430 0.0000 0.0000 34389.3379 -149280.8917 300.3306 -183670.2296 -149181.5242 298.7862 -63.3295 -37.1678 557680.0895 -2.5491 -2.4839 PRESSURE: 3228600 -146.777 3.67153 -6.04889 3.67133 29.1962 57.6736 -6.04999 57.6752 203.736 GPRESSURE: 3228600 -95.1401 56.8023 -28.2114 -16.624 59.7388 20.8242 -63.7912 65.8833 216.662 PRESSAVG: 3228600 31.4992 6.12832 -24.0883 6.12823 27.4287 3.15107 -24.0883 3.15114 -45.3373 GPRESSAVG: 3228600 32.1544 8.37683 -25.6181 5.52574 26.5126 3.99676 -24.1439 1.26738 -44.9292 TIMING: 3228600 CPU: 9648.55, 0.00304091/step Wall: 9648.55, 0.00304091/step, 1.4963 hours remaining, 206.714844 MB of memory in use. ENERGY: 3228600 722.2584 2023.8993 1962.2287 99.9363 -206470.7047 17967.3998 0.0000 0.0000 34281.1895 -149413.7927 299.3862 -183694.9822 -149320.5937 298.9900 28.7183 60.4203 558052.2721 4.5302 4.5793 PRESSURE: 3228800 -109.403 -55.0256 52.5881 -55.0243 59.1263 -84.2416 52.5884 -84.2416 115.958 GPRESSURE: 3228800 -110.188 -30.5652 7.15858 -62.9296 138.905 -18.0046 79.271 -79.1957 139.208 PRESSAVG: 3228800 -25.4341 -24.7578 -39.8815 -24.7577 53.0994 71.1332 -39.8815 71.1333 -43.162 GPRESSAVG: 3228800 -25.0375 -28.2094 -39.7437 -21.5806 54.2749 71.4583 -38.0897 69.3668 -44.5687 TIMING: 3228800 CPU: 9649.16, 0.00302892/step Wall: 9649.16, 0.00302892/step, 1.49023 hours remaining, 206.972656 MB of memory in use. ENERGY: 3228800 774.5698 2107.8388 1936.8971 118.8605 -206517.6899 18016.2283 0.0000 0.0000 34109.8298 -149453.4655 297.8896 -183563.2953 -149350.7626 298.0830 21.8939 55.9751 558549.8760 -5.1656 -5.1104 PRESSURE: 3229000 -222.418 97.2244 56.5893 97.225 -37.2243 206.226 56.5906 206.228 11.8263 GPRESSURE: 3229000 -165.488 119.013 -12.2178 1.93532 10.0494 165.706 113.668 182.908 -4.16015 PRESSAVG: 3229000 36.2925 -73.6718 -7.20355 -73.6718 -6.45156 61.5332 -7.20358 61.5333 -13.8213 GPRESSAVG: 3229000 35.3246 -71.7544 -8.33664 -76.4175 -5.86211 58.9819 -5.83036 62.9807 -13.2781 TIMING: 3229000 CPU: 9649.77, 0.00304599/step Wall: 9649.77, 0.00304599/step, 1.49846 hours remaining, 206.972656 MB of memory in use. ENERGY: 3229000 684.4740 2135.0990 1933.2834 107.5520 -206410.8714 17605.4920 0.0000 0.0000 34384.7794 -149560.1916 300.2908 -183944.9710 -149465.5358 299.0066 -82.6055 -53.1997 556445.5658 5.3399 5.3948 PRESSURE: 3229200 95.8495 227.194 -54.0763 227.195 1.54604 -115.422 -54.076 -115.421 -288.753 GPRESSURE: 3229200 83.4152 208.601 -105.553 191.767 6.5551 -59.4403 44.1102 -109.724 -167.787 PRESSAVG: 3229200 -16.2239 -12.432 -14.2163 -12.432 -17.6886 53.1555 -14.2163 53.1557 39.4466 GPRESSAVG: 3229200 -15.86 -10.9983 -12.6958 -11.8676 -19.169 54.464 -16.1255 52.5987 40.8847 TIMING: 3229200 CPU: 9650.38, 0.003051/step Wall: 9650.38, 0.003051/step, 1.50075 hours remaining, 206.972656 MB of memory in use. ENERGY: 3229200 761.5521 2019.0879 1969.0154 114.7531 -206304.0427 17924.5886 0.0000 0.0000 34026.0232 -149489.0223 297.1577 -183515.0455 -149400.6422 298.2218 -63.7859 -25.9390 557565.0515 1.8447 1.9519 PRESSURE: 3229400 -183.004 -14.8941 120.281 -14.8946 40.6068 -33.1387 120.28 -33.1382 109.307 GPRESSURE: 3229400 -95.428 40.4919 136.671 -88.3648 19.7794 55.3485 -18.6915 -72.8061 129.408 PRESSAVG: 3229400 -42.0315 11.553 7.99811 11.5531 -64.7079 -41.8132 7.99812 -41.8132 26.3498 GPRESSAVG: 3229400 -42.8091 11.0869 7.95348 12.967 -63.6195 -39.9564 6.30749 -42.0226 25.7312 TIMING: 3229400 CPU: 9650.99, 0.00304778/step Wall: 9650.99, 0.00304778/step, 1.499 hours remaining, 206.972656 MB of memory in use. ENERGY: 3229400 759.4817 2100.3727 1941.2088 117.2630 -206639.4719 17896.1260 0.0000 0.0000 34364.1140 -149460.9057 300.1104 -183825.0197 -149356.5950 298.4510 -11.0299 17.9198 559487.1090 -26.7965 -26.8991 PRESSURE: 3229600 -131.58 84.6738 -96.9273 84.674 -216.968 -191.026 -96.9281 -191.026 -258.645 GPRESSURE: 3229600 -72.5711 102.459 -95.6021 97.2237 -219.665 -135.945 -99.5654 -180.466 -228.249 PRESSAVG: 3229600 36.2988 52.45 -23.7849 52.45 17.9294 -14.1129 -23.7849 -14.1129 -54.3366 GPRESSAVG: 3229600 36.4757 51.4835 -24.4751 50.7362 18.1321 -15.0387 -23.5697 -12.9723 -55.2887 TIMING: 3229600 CPU: 9651.59, 0.00303625/step Wall: 9651.59, 0.00303625/step, 1.49316 hours remaining, 206.972656 MB of memory in use. ENERGY: 3229600 729.9639 2081.4760 1925.8850 98.2016 -206434.2097 17686.4717 0.0000 0.0000 34476.7888 -149435.4228 301.0944 -183912.2116 -149321.9071 298.5444 -202.3977 -173.4950 559534.9956 -0.0361 -0.2270 PRESSURE: 3229800 -218.187 40.5573 -86.7374 40.5584 -68.669 29.9978 -86.7385 29.9971 -346.842 GPRESSURE: 3229800 -215.275 113.339 -97.92 -49.2794 -102.326 -2.12723 -36.8928 34.825 -225.42 PRESSAVG: 3229800 14.0577 3.92347 -82.373 3.92354 -8.52053 -17.9301 -82.3731 -17.9301 17.5996 GPRESSAVG: 3229800 14.8124 4.09867 -83.7904 3.86157 -7.70873 -18.5811 -81.192 -18.1304 16.7436 TIMING: 3229800 CPU: 9652.2, 0.00304629/step Wall: 9652.2, 0.00304629/step, 1.49793 hours remaining, 206.972656 MB of memory in use. ENERGY: 3229800 773.7806 2087.4816 1936.1169 113.7480 -206400.8217 17764.3661 0.0000 0.0000 34363.3594 -149361.9690 300.1038 -183725.3284 -149265.6960 298.6993 -211.2324 -181.0069 558540.2142 7.7122 7.9491 PRESSURE: 3230000 126.332 -143.369 -155.888 -143.369 -52.9982 39.2309 -155.887 39.23 -119.244 GPRESSURE: 3230000 101.127 -174.329 -152.326 -102.964 28.6987 -9.95111 -137.363 79.8124 -74.3477 PRESSAVG: 3230000 -55.0984 -2.78725 -34.5098 -2.78716 22.9916 -48.2074 -34.5098 -48.2073 57.0468 GPRESSAVG: 3230000 -54.4671 -1.58751 -29.8945 -5.31834 21.6693 -49.3054 -35.7061 -47.4719 58.1776 TIMING: 3230000 CPU: 9652.81, 0.00303872/step Wall: 9652.81, 0.00303872/step, 1.49404 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: 3230000 752.5037 2068.3116 1926.2533 109.3329 -206119.4973 17762.5409 0.0000 0.0000 34085.1228 -149415.4321 297.6739 -183500.5549 -149321.1816 298.8457 -15.3035 18.4926 557669.5773 8.3134 8.4600 PRESSURE: 3230200 -194.331 -9.23831 162.97 -9.23822 -3.00471 119.616 162.97 119.616 16.9976 GPRESSURE: 3230200 -150.277 16.1957 187.21 6.77833 1.80707 59.9443 158.014 243.767 66.8834 PRESSAVG: 3230200 -111.162 30.1885 -14.6676 30.1884 81.3208 2.16073 -14.6676 2.16064 30.7538 GPRESSAVG: 3230200 -111.209 30.649 -18.3832 33.3979 81.013 2.11326 -14.5063 2.41713 30.9112 TIMING: 3230200 CPU: 9653.42, 0.0030268/step Wall: 9653.42, 0.0030268/step, 1.48801 hours remaining, 206.972656 MB of memory in use. ENERGY: 3230200 744.7686 2074.0966 1941.8104 108.3473 -206389.6334 17808.2277 0.0000 0.0000 34168.3238 -149544.0591 298.4005 -183712.3829 -149440.9846 298.5038 -60.1128 -27.1956 557001.9325 0.3041 0.2384 PRESSURE: 3230400 -167.551 -24.6655 71.6097 -24.6652 -190.23 64.9161 71.6102 64.9157 -265.374 GPRESSURE: 3230400 -116.651 -26.9366 174.811 44.7584 -184.536 27.8914 136.099 82.6192 -224.843 PRESSAVG: 3230400 -80.0304 41.1862 -2.71436 41.1861 8.04468 16.9665 -2.71449 16.9665 67.5447 GPRESSAVG: 3230400 -79.8746 39.7522 -2.85254 39.5821 7.45924 18.8682 -0.962459 16.3684 67.9035 TIMING: 3230400 CPU: 9654.02, 0.00303292/step Wall: 9654.02, 0.00303292/step, 1.49085 hours remaining, 206.972656 MB of memory in use. ENERGY: 3230400 708.1581 2068.2192 1919.0969 115.1145 -205931.5311 17591.1220 0.0000 0.0000 34112.7837 -149417.0368 297.9154 -183529.8205 -149320.1131 297.7959 -207.7184 -175.3433 559025.1385 -1.4804 -1.5040 PRESSURE: 3230600 81.9445 -111.632 -282.757 -111.632 233.449 206.357 -282.757 206.356 11.3459 GPRESSURE: 3230600 105.779 -146.575 -261.738 8.53051 230.976 251.361 -239.374 229.882 83.2898 PRESSAVG: 3230600 -47.8842 37.4132 10.5083 37.4132 31.9144 44.2032 10.5083 44.2031 6.01065 GPRESSAVG: 3230600 -49.0532 36.4611 10.803 39.0252 34.1292 43.4843 8.81566 43.0165 5.16463 TIMING: 3230600 CPU: 9654.63, 0.00303823/step Wall: 9654.63, 0.00303823/step, 1.49329 hours remaining, 206.972656 MB of memory in use. ENERGY: 3230600 742.6279 2034.6683 1929.0723 113.7373 -206702.8811 18120.6012 0.0000 0.0000 34392.7567 -149369.4174 300.3605 -183762.1741 -149277.3753 297.7967 108.9130 140.0149 556722.0113 -3.3197 -3.2531 PRESSURE: 3230800 66.8649 79.0177 -81.2075 79.0175 -72.8573 -198.212 -81.2067 -198.214 -130.849 GPRESSURE: 3230800 106.051 92.9413 -58.6765 15.1395 -7.2148 -240.579 -12.7383 -107.998 -137.548 PRESSAVG: 3230800 65.6426 0.454211 -62.0342 0.454146 -31.1304 4.2795 -62.0341 4.27954 -56.7794 GPRESSAVG: 3230800 66.3401 1.24287 -64.0052 0.514708 -32.2521 5.3143 -60.2623 4.40311 -56.2773 TIMING: 3230800 CPU: 9655.24, 0.00303865/step Wall: 9655.24, 0.00303865/step, 1.49333 hours remaining, 206.972656 MB of memory in use. ENERGY: 3230800 749.3684 2056.6865 1935.8699 116.6443 -206281.2066 17834.8130 0.0000 0.0000 34108.6310 -149479.1936 297.8792 -183587.8246 -149385.5408 298.3561 -45.6137 -12.9039 557971.9337 -7.4224 -7.3964 PRESSURE: 3231000 65.8259 107.237 2.72921 107.237 66.0864 53.1446 2.72973 53.1467 77.2451 GPRESSURE: 3231000 96.676 134.899 27.7436 73.1987 82.5331 60.3655 2.57988 46.3933 138.207 PRESSAVG: 3231000 79.8394 4.11288 -56.4429 4.1129 -15.4443 -31.4362 -56.4429 -31.4362 -50.2407 GPRESSAVG: 3231000 79.4807 5.72105 -53.8743 3.3401 -15.3907 -32.5594 -59.8914 -32.0994 -50.1703 TIMING: 3231000 CPU: 9655.84, 0.00302693/step Wall: 9655.84, 0.00302693/step, 1.4874 hours remaining, 206.972656 MB of memory in use. ENERGY: 3231000 745.1726 2017.7694 1943.7881 111.7259 -206556.9478 18114.4495 0.0000 0.0000 34287.6618 -149336.3805 299.4427 -183624.0423 -149244.1206 299.1504 69.7191 105.8052 558277.8877 4.7181 4.6399 PRESSURE: 3231200 1.90827 -47.6096 20.0478 -47.6112 142.703 152.413 20.0491 152.413 -137.876 GPRESSURE: 3231200 49.6722 -67.4473 22.7254 -39.1517 185.548 64.4736 -21.5262 204.652 -126.389 PRESSAVG: 3231200 1.91257 6.54906 -22.3715 6.54905 -3.66716 50.4844 -22.3715 50.4844 40.6906 GPRESSAVG: 3231200 2.44872 6.21911 -22.8714 5.76733 -4.26233 51.0529 -21.406 50.7995 40.6476 TIMING: 3231200 CPU: 9656.45, 0.0030392/step Wall: 9656.45, 0.0030392/step, 1.49326 hours remaining, 206.972656 MB of memory in use. ENERGY: 3231200 717.6225 2060.1252 1964.0688 129.4237 -206537.5699 17937.2510 0.0000 0.0000 34368.1851 -149360.8936 300.1459 -183729.0787 -149261.6319 299.6230 2.2450 36.2770 556201.0957 12.9787 12.9447 PRESSURE: 3231400 -195.57 -65.0129 -97.8723 -65.0121 -268.228 -120.93 -97.873 -120.929 -277.893 GPRESSURE: 3231400 -124.293 20.8505 -210.432 -65.1079 -266.508 -125.956 47.8222 -35.2718 -242.929 PRESSAVG: 3231400 0.859839 61.4335 18.2747 61.4336 -69.9503 23.7955 18.2747 23.7956 79.0121 GPRESSAVG: 3231400 -0.98677 61.7473 18.837 60.7738 -68.4851 22.654 18.7963 24.0283 79.0097 TIMING: 3231400 CPU: 9657.05, 0.00300695/step Wall: 9657.05, 0.00300695/step, 1.47725 hours remaining, 206.972656 MB of memory in use. ENERGY: 3231400 730.2490 2106.3261 1916.2122 122.7245 -206062.8123 17411.5937 0.0000 0.0000 34212.1170 -149563.5898 298.7829 -183775.7068 -149465.9036 299.1710 -247.2304 -211.2434 557865.6682 3.3072 3.1793 PRESSURE: 3231600 -192.141 107.41 103.502 107.41 -145.129 75.3511 103.502 75.3515 79.4694 GPRESSURE: 3231600 -150.744 77.1902 78.0573 35.717 -121.05 10.4017 51.308 184.684 118.857 PRESSAVG: 3231600 -17.3512 4.82339 10.0799 4.8233 -3.1372 -0.320605 10.08 -0.320726 59.5387 GPRESSAVG: 3231600 -15.7831 3.63083 10.1499 7.14822 -4.41603 0.543922 10.1343 0.523316 59.4569 TIMING: 3231600 CPU: 9657.65, 0.00299073/step Wall: 9657.65, 0.00299073/step, 1.46911 hours remaining, 206.972656 MB of memory in use. ENERGY: 3231600 713.8251 2088.2501 1941.9727 101.4271 -206282.5143 17677.6196 0.0000 0.0000 34271.2187 -149488.2010 299.2991 -183759.4197 -149391.4707 298.6338 -85.9335 -50.9788 557549.2543 13.0168 13.0859 PRESSURE: 3231800 237.202 0.224214 95.7062 0.224516 180.432 283.449 95.7073 283.448 197.738 GPRESSURE: 3231800 281.083 87.8905 65.7515 -35.931 212.201 319.069 76.0619 262.364 213.904 PRESSAVG: 3231800 -33.1584 -2.56491 25.7855 -2.56503 -59.4052 65.3243 25.7854 65.3243 39.2988 GPRESSAVG: 3231800 -33.5872 -3.28104 24.7435 -3.63483 -58.9454 65.4135 26.3606 65.6293 39.0608 TIMING: 3231800 CPU: 9658.24, 0.00295682/step Wall: 9658.24, 0.00295682/step, 1.45229 hours remaining, 206.972656 MB of memory in use. ENERGY: 3231800 768.6073 2116.4902 1936.7461 104.4984 -206206.4841 17846.5574 0.0000 0.0000 34110.3212 -149323.2635 297.8939 -183433.5848 -149233.7927 298.2994 205.1240 235.7294 555568.0024 -17.7549 -17.8239 PRESSURE: 3232000 -231.393 -89.6708 115.82 -89.6703 -258.626 64.5144 115.821 64.5148 -150.814 GPRESSURE: 3232000 -176.877 -79.0642 58.0795 -123.09 -230.861 31.3863 73.4595 156.015 -138.336 PRESSAVG: 3232000 -5.68156 17.3105 3.53242 17.3106 36.1115 -1.44885 3.53242 -1.4489 23.2578 GPRESSAVG: 3232000 -5.23243 17.5902 3.40533 14.6709 35.7636 -0.444691 2.83177 -2.24619 23.2754 TIMING: 3232000 CPU: 9658.84, 0.00299312/step Wall: 9658.84, 0.00299312/step, 1.46995 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: 3232000 747.3774 2055.5915 1946.2153 119.4351 -205971.9897 17637.7749 0.0000 0.0000 34320.5659 -149145.0296 299.7300 -183465.5955 -149044.8108 298.9641 -213.6111 -182.0246 559273.0681 17.8959 17.9355 PRESSURE: 3232200 207.524 16.561 57.4716 16.5611 -0.695124 -48.3927 57.474 -48.393 -15.6872 GPRESSURE: 3232200 211.981 40.1418 74.887 -100.046 64.679 -87.2977 91.5884 2.5665 3.82392 PRESSAVG: 3232200 15.8687 74.7583 25.9424 74.7583 -44.1196 -2.41199 25.9425 -2.4119 30.7648 GPRESSAVG: 3232200 15.4945 75.6935 26.9437 77.1326 -44.1922 -3.40843 27.7283 -2.02756 30.8922 TIMING: 3232200 CPU: 9659.45, 0.00302669/step Wall: 9659.45, 0.00302669/step, 1.48627 hours remaining, 206.972656 MB of memory in use. ENERGY: 3232200 716.2437 2066.2580 1941.5979 120.4495 -206043.9799 17828.9745 0.0000 0.0000 34219.3821 -149151.0742 298.8464 -183370.4562 -149055.7818 299.3230 63.7138 93.4947 558179.2684 0.8380 0.7315 LDB: ============= START OF LOAD BALANCING ============== 9662.88 LDB: ============== END OF LOAD BALANCING =============== 9662.88 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9662.88 LDB: ============= START OF LOAD BALANCING ============== 9663.18 LDB: Largest compute 4820 load 0.029502 is 25.0% of average load 0.117966 LDB: Average compute 0.001744 is 1.5% of average load 0.117966 LDB: TIME 9663.19 LOAD: AVG 0.117966 MAX 0.206495 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.715 MB LDB: TIME 9663.19 LOAD: AVG 0.117966 MAX 0.206495 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.715 MB LDB: TIME 9663.19 LOAD: AVG 0.117966 MAX 0.206495 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9663.19 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9663.19 PRESSURE: 3232400 60.605 249.156 5.77509 249.156 374.639 149.146 5.77526 149.147 -190.168 GPRESSURE: 3232400 142.432 314.941 8.35471 265.554 389.123 105.595 -49.9029 169.432 -190.268 PRESSAVG: 3232400 -39.0998 17.5993 10.323 17.5993 73.3527 -25.2145 10.3231 -25.2144 -38.4047 GPRESSAVG: 3232400 -39.0485 17.911 11.0549 17.7895 73.563 -25.7248 8.30254 -25.0907 -38.5344 TIMING: 3232400 CPU: 9660.06, 0.0030854/step Wall: 9660.06, 0.0030854/step, 1.51493 hours remaining, 207.218750 MB of memory in use. ENERGY: 3232400 741.0395 2055.8720 1947.3329 106.9676 -206113.4824 17804.0412 0.0000 0.0000 34398.4733 -149059.7559 300.4104 -183458.2292 -148960.2811 299.0778 81.6919 113.7624 558617.0414 -1.3839 -1.3400 PRESSURE: 3232600 -183.553 148.321 -72.7099 148.322 -42.4906 59.8768 -72.7105 59.8785 -48.8239 GPRESSURE: 3232600 -133.523 226.059 -28.3208 85.4523 -27.2427 86.7521 -108.629 -11.8058 -27.4534 PRESSAVG: 3232600 30.2935 33.0641 30.8302 33.0642 9.52534 12.3191 30.8302 12.319 -77.5371 GPRESSAVG: 3232600 29.2282 31.2241 30.7018 33.0414 9.74586 13.3924 31.2758 12.5704 -76.741 TIMING: 3232600 CPU: 9660.67, 0.00302971/step Wall: 9660.67, 0.00302971/step, 1.48742 hours remaining, 207.218750 MB of memory in use. ENERGY: 3232600 753.5458 2087.7894 1951.1467 104.7265 -206158.0659 17809.3896 0.0000 0.0000 34325.9741 -149125.4939 299.7773 -183451.4680 -149033.8267 299.6038 -91.6224 -62.7395 558681.2332 -12.5727 -12.5890 PRESSURE: 3232800 -370.378 32.251 195.741 32.2514 120.29 30.5499 195.742 30.5504 -266.986 GPRESSURE: 3232800 -325.299 133.442 119.896 -29.5382 114.138 -0.230406 200.606 43.8356 -212.642 PRESSAVG: 3232800 2.21246 27.4758 12.8639 27.4759 -5.38612 42.6382 12.864 42.6381 -12.0654 GPRESSAVG: 3232800 3.83565 28.0883 11.5569 26.3212 -6.50754 42.9622 14.7603 42.1678 -13.588 TIMING: 3232800 CPU: 9661.27, 0.00301799/step Wall: 9661.27, 0.00301799/step, 1.4815 hours remaining, 207.218750 MB of memory in use. ENERGY: 3232800 784.9172 2094.1854 1958.8782 109.5126 -205871.6376 17563.9867 0.0000 0.0000 34203.7238 -149156.4338 298.7096 -183360.1576 -149049.9319 299.5103 -172.3582 -141.2675 558361.2807 -5.0797 -5.4200 PRESSURE: 3233000 -71.2216 -54.9803 -25.4044 -54.9821 -24.7758 134.068 -25.4041 134.068 -233.725 GPRESSURE: 3233000 -53.2898 -34.9308 -13.586 -64.677 83.7239 46.5817 -70.8964 164.106 -254.971 PRESSAVG: 3233000 -12.3926 30.211 44.7937 30.211 45.5234 32.3126 44.7938 32.3126 -49.9597 GPRESSAVG: 3233000 -12.9945 32.3094 44.3454 29.3639 46.2165 30.6352 43.8898 32.2174 -49.6845 TIMING: 3233000 CPU: 9661.88, 0.00301237/step Wall: 9661.88, 0.00301237/step, 1.47857 hours remaining, 207.218750 MB of memory in use. ENERGY: 3233000 750.4832 2125.3148 1956.7188 110.2279 -205905.7250 17609.9727 0.0000 0.0000 34154.4612 -149198.5463 298.2794 -183353.0075 -149098.8102 299.4065 -109.9073 -74.8458 558686.4771 -5.6096 -5.4875 PRESSURE: 3233200 -137.893 -9.09352 -57.7641 -9.09415 -135.123 99.1691 -57.7634 99.1692 -238.394 GPRESSURE: 3233200 -101.477 -73.5707 -36.1916 46.4393 -114.344 139.179 -65.9271 -0.634632 -195.681 PRESSAVG: 3233200 -8.35563 24.063 -0.273228 24.063 27.9405 10.1509 -0.273256 10.1509 21.2246 GPRESSAVG: 3233200 -9.01353 23.3699 0.622294 25.1345 27.5535 10.9217 -0.72427 10.1095 22.6306 TIMING: 3233200 CPU: 9662.48, 0.00303949/step Wall: 9662.48, 0.00303949/step, 1.49172 hours remaining, 207.218750 MB of memory in use. ENERGY: 3233200 735.0713 2128.6792 1924.7667 114.5007 -205952.9391 17582.6529 0.0000 0.0000 34427.5589 -149039.7094 300.6644 -183467.2683 -148946.6713 298.6544 -170.4703 -137.1674 558056.8572 13.6032 13.7235 PRESSURE: 3233400 127.278 174.541 86.45 174.541 -25.8939 -52.0132 86.4497 -52.0122 8.02507 GPRESSURE: 3233400 150.491 165.1 16.0555 255.655 -18.3931 32.6256 60.6622 -107.763 69.105 PRESSAVG: 3233400 -76.1701 46.2477 33.8402 46.2478 51.139 -25.774 33.8401 -25.7739 -11.6342 GPRESSAVG: 3233400 -77.2412 44.7615 34.2016 48.5545 52.6935 -25.2728 32.8435 -25.8818 -12.0429 TIMING: 3233400 CPU: 9663.09, 0.00303036/step Wall: 9663.09, 0.00303036/step, 1.48706 hours remaining, 207.218750 MB of memory in use. ENERGY: 3233400 793.3651 2054.1278 1949.4548 116.9358 -206258.7943 17983.8447 0.0000 0.0000 34470.0664 -148890.9998 301.0357 -183361.0662 -148793.0181 299.4008 36.4697 67.0676 556815.1219 -12.2218 -12.1968 PRESSURE: 3233600 137.336 5.32041 19.2601 5.32127 53.809 79.9404 19.2597 79.9392 131.79 GPRESSURE: 3233600 166.838 26.6507 -6.80293 52.0429 116.42 -2.18089 111.137 163.058 146.642 PRESSAVG: 3233600 -79.6763 4.54981 -24.5588 4.54976 92.7921 -18.7097 -24.5588 -18.7097 39.6788 GPRESSAVG: 3233600 -79.2694 4.94224 -22.862 3.88921 92.8792 -20.6654 -23.2916 -18.0559 39.1324 TIMING: 3233600 CPU: 9663.69, 0.00302484/step Wall: 9663.69, 0.00302484/step, 1.48419 hours remaining, 207.218750 MB of memory in use. ENERGY: 3233600 710.0809 2059.0088 1927.0990 124.0956 -205920.7734 17844.4075 0.0000 0.0000 34313.9790 -148942.1027 299.6725 -183256.0816 -148844.8272 299.8966 107.6450 143.3002 558359.9292 17.5982 17.5807 PRESSURE: 3233800 -73.8379 31.4906 136.064 31.4907 98.9824 -208.419 136.063 -208.419 -13.3112 GPRESSURE: 3233800 -16.9248 80.3052 162.351 -16.1603 133.681 -178.389 43.9748 -250.451 1.07537 PRESSAVG: 3233800 -42.0249 20.9271 -67.9922 20.927 61.4414 -4.93683 -67.9922 -4.93672 -30.7083 GPRESSAVG: 3233800 -40.8302 21.716 -69.2764 21.0707 60.478 -3.23336 -69.0719 -4.09584 -31.3975 TIMING: 3233800 CPU: 9664.3, 0.00302449/step Wall: 9664.3, 0.00302449/step, 1.48385 hours remaining, 207.218750 MB of memory in use. ENERGY: 3233800 726.0082 2063.4258 1950.4015 119.5339 -206015.5848 17682.2579 0.0000 0.0000 34447.3363 -149026.6213 300.8372 -183473.9576 -148936.0124 300.0382 3.9444 39.2773 557686.7178 -3.7639 -3.9166 PRESSURE: 3234000 46.3843 85.1026 57.5047 85.1022 -96.9762 75.0835 57.5038 75.0837 80.2585 GPRESSURE: 3234000 73.8714 82.8236 35.0874 69.8241 -64.0623 29.4547 62.409 153.484 122.405 PRESSAVG: 3234000 -65.5796 43.7952 -60.6928 43.7952 50.596 49.8709 -60.6928 49.8709 38.2063 GPRESSAVG: 3234000 -66.9975 43.2531 -62.3064 42.2211 50.5458 47.9929 -60.3664 49.9423 39.6655 TIMING: 3234000 CPU: 9664.9, 0.003012/step Wall: 9664.9, 0.003012/step, 1.47755 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: 3234000 763.8891 2013.6192 1941.3484 99.5216 -206164.6658 17893.3757 0.0000 0.0000 34360.5858 -149092.3260 300.0795 -183452.9118 -148990.1201 299.8180 9.8889 44.0714 557223.1622 7.7409 7.7379 PRESSURE: 3234200 24.2598 154.76 -44.8291 154.762 295.801 -104.819 -44.829 -104.818 354.1 GPRESSURE: 3234200 79.416 238.068 20.7173 141.976 354.656 -106.166 -51.9453 -85.6575 347.475 PRESSAVG: 3234200 -15.6878 -43.9585 -49.1004 -43.9584 13.9628 19.6611 -49.1005 19.6611 17.5995 GPRESSAVG: 3234200 -14.6891 -44.5416 -47.8748 -42.9155 14.2165 20.4106 -49.1501 19.4151 16.6333 TIMING: 3234200 CPU: 9665.51, 0.00302267/step Wall: 9665.51, 0.00302267/step, 1.48262 hours remaining, 207.218750 MB of memory in use. ENERGY: 3234200 750.0820 2066.4344 1958.1438 111.3558 -206440.4499 18046.8661 0.0000 0.0000 34321.0142 -149186.5537 299.7340 -183507.5679 -149086.9023 299.6092 224.7205 260.5156 556575.6106 5.2915 5.3869 PRESSURE: 3234400 -42.5502 11.6239 113.537 11.6247 -178.504 -0.764825 113.537 -0.764539 -2.61396 GPRESSURE: 3234400 -11.8841 30.3182 50.9475 37.2378 -65.1399 44.3326 215.142 37.0874 -57.1917 PRESSAVG: 3234400 -19.1578 11.8045 38.8018 11.8045 -38.4526 17.5352 38.8017 17.5353 47.6976 GPRESSAVG: 3234400 -20.0565 11.6298 37.3739 11.362 -38.0443 17.8609 41.5912 17.147 48.4132 TIMING: 3234400 CPU: 9666.11, 0.00301895/step Wall: 9666.11, 0.00301895/step, 1.48063 hours remaining, 207.218750 MB of memory in use. ENERGY: 3234400 718.9749 2015.3580 1948.4105 111.7750 -206213.6538 17737.8352 0.0000 0.0000 34357.2151 -149324.0851 300.0501 -183681.3002 -149223.2242 299.2831 -74.5562 -44.7385 557252.1358 -3.3043 -3.2292 PRESSURE: 3234600 9.89226 60.1233 -77.9133 60.1235 -53.8185 -27.1338 -77.9142 -27.1345 82.5984 GPRESSURE: 3234600 42.0224 6.34225 -190.162 141.137 -68.5843 -72.3846 -52.9678 25.3956 160.337 PRESSAVG: 3234600 32.2244 3.14786 -25.7599 3.14796 1.12274 -4.05099 -25.7599 -4.05084 -7.52455 GPRESSAVG: 3234600 32.0119 3.32004 -24.4873 2.67045 0.391818 -4.07356 -30.8759 -4.93999 -7.0515 TIMING: 3234600 CPU: 9666.71, 0.00302341/step Wall: 9666.71, 0.00302341/step, 1.48264 hours remaining, 207.218750 MB of memory in use. ENERGY: 3234600 714.0608 2086.9097 1985.4243 124.3825 -206109.4398 17585.8426 0.0000 0.0000 34383.2785 -149229.5414 300.2777 -183612.8199 -149129.2671 299.3239 12.8907 44.5917 556704.7023 8.6075 8.4507 PRESSURE: 3234800 -143.211 221.534 24.2683 221.536 -154.837 65.565 24.2669 65.5649 -22.4185 GPRESSURE: 3234800 -81.2248 82.2147 88.9655 292.537 -97.6212 184.777 4.05983 4.08319 -35.0599 PRESSAVG: 3234800 -66.6472 25.4952 0.437449 25.4952 19.5119 8.73196 0.437483 8.73196 57.9807 GPRESSAVG: 3234800 -67.0242 24.5286 1.37607 26.7958 20.9547 8.52876 1.93985 9.94518 57.0867 TIMING: 3234800 CPU: 9667.32, 0.00303696/step Wall: 9667.32, 0.00303696/step, 1.48913 hours remaining, 207.218750 MB of memory in use. ENERGY: 3234800 753.5439 2052.4259 1926.4489 103.1584 -205966.8044 17691.0282 0.0000 0.0000 34309.2206 -149130.9785 299.6310 -183440.1990 -149027.2267 299.5663 -106.8224 -71.3020 557757.2672 3.6151 3.6724 PRESSURE: 3235000 -76.7947 -133.23 -16.54 -133.229 365.958 -46.7471 -16.5388 -46.7467 -312.131 GPRESSURE: 3235000 -61.3387 -123.268 1.06046 -149.668 438.922 -95.5236 20.0962 10.167 -301.106 PRESSAVG: 3235000 7.10216 20.5112 35.2713 20.5112 16.1092 -18.7433 35.2713 -18.7434 -41.0877 GPRESSAVG: 3235000 7.58018 21.8931 32.9424 20.806 15.0365 -16.9075 35.6021 -20.9459 -40.5211 TIMING: 3235000 CPU: 9667.93, 0.00303709/step Wall: 9667.93, 0.00303709/step, 1.48902 hours remaining, 207.218750 MB of memory in use. ENERGY: 3235000 756.4464 2148.6548 1939.3253 102.9278 -206321.1475 17855.5685 0.0000 0.0000 34357.1274 -149161.0973 300.0493 -183518.2247 -149072.8292 299.2947 -7.6558 25.4926 556845.6248 -5.9588 -5.9681 PRESSURE: 3235200 130.918 66.7442 136.216 66.7436 54.6602 -91.6783 136.215 -91.6779 216.196 GPRESSURE: 3235200 146.25 79.776 162.765 52.2077 115.033 -204.965 57.2818 -29.7809 239.96 PRESSAVG: 3235200 33.3189 -23.8252 10.2088 -23.8251 19.9366 -39.0232 10.2088 -39.0232 -45.9819 GPRESSAVG: 3235200 33.7336 -21.6899 10.7427 -24.8687 19.7689 -41.544 9.94969 -35.0394 -45.8636 TIMING: 3235200 CPU: 9668.53, 0.00301555/step Wall: 9668.53, 0.00301555/step, 1.47829 hours remaining, 207.218750 MB of memory in use. ENERGY: 3235200 743.2576 2028.6381 1941.9862 109.7399 -206178.1757 17924.2759 0.0000 0.0000 34419.3496 -149010.9285 300.5927 -183430.2780 -148914.6563 300.1621 133.9247 167.0809 555947.9198 2.4246 2.5463 PRESSURE: 3235400 -32.4823 26.3081 72.4661 26.3071 -91.2496 139.153 72.466 139.153 -80.777 GPRESSURE: 3235400 8.70261 82.5709 73.7504 25.5046 -52.6547 85.3437 77.71 171.949 -55.8562 PRESSAVG: 3235400 -1.32762 -9.68488 29.5265 -9.68493 30.6145 8.55654 29.5266 8.55648 -30.907 GPRESSAVG: 3235400 -0.733826 -12.0913 29.3851 -8.82698 30.9183 9.48527 31.7218 5.80388 -31.8273 TIMING: 3235400 CPU: 9669.14, 0.00302543/step Wall: 9669.14, 0.00302543/step, 1.48297 hours remaining, 207.218750 MB of memory in use. ENERGY: 3235400 766.2772 2051.0726 1912.3967 129.3001 -206343.0064 17843.2137 0.0000 0.0000 34556.2665 -149084.4795 301.7885 -183640.7460 -148990.8767 300.7244 -68.1696 -33.2694 556762.3668 -0.5400 -0.5476 PRESSURE: 3235600 77.3132 -81.527 93.7888 -81.5263 48.9989 -64.739 93.7897 -64.7396 59.8315 GPRESSURE: 3235600 122.336 -62.7749 197.112 -50.7149 13.2282 -10.3242 44.6449 -115.893 136.96 PRESSAVG: 3235600 -10.9645 6.49476 40.7908 6.49473 -51.7807 -38.4758 40.7908 -38.4758 63.6627 GPRESSAVG: 3235600 -11.845 9.0202 41.27 4.37234 -52.4384 -40.4909 38.5963 -38.1351 65.0152 TIMING: 3235600 CPU: 9669.74, 0.00303258/step Wall: 9669.74, 0.00303258/step, 1.4863 hours remaining, 207.218750 MB of memory in use. ENERGY: 3235600 718.7774 2101.9384 1944.9135 117.2236 -206083.1338 17786.3951 0.0000 0.0000 34170.7089 -149243.1770 298.4213 -183413.8859 -149144.9171 299.8563 62.0479 90.8414 556061.2609 0.3058 0.2439 PRESSURE: 3235800 -108.286 54.7545 -133.341 54.7537 141.071 -44.0192 -133.34 -44.0182 -77.3495 GPRESSURE: 3235800 -45.9288 33.3989 -133.957 -11.0608 145.429 8.59369 -56.1475 -48.2064 -49.128 PRESSAVG: 3235800 -7.95067 5.69985 1.22828 5.69997 7.36211 -41.9344 1.22821 -41.9345 23.2093 GPRESSAVG: 3235800 -7.36656 4.40711 1.65768 4.9648 7.50789 -41.4874 0.617881 -40.6006 22.4309 TIMING: 3235800 CPU: 9670.34, 0.00299147/step Wall: 9670.34, 0.00299147/step, 1.46599 hours remaining, 207.218750 MB of memory in use. ENERGY: 3235800 779.3485 2095.6408 1981.5754 109.0309 -206741.4320 17881.4979 0.0000 0.0000 34568.3095 -149326.0290 301.8936 -183894.3385 -149229.9714 299.1283 -14.8548 16.7907 555774.6247 7.5402 7.5241 PRESSURE: 3236000 -166.857 14.5446 3.49262 14.5447 -207.288 62.5731 3.49218 62.5728 100.881 GPRESSURE: 3236000 -100.843 -31.8057 67.2052 98.0779 -214.866 38.5943 -54.4637 63.5434 141.393 PRESSAVG: 3236000 -19.828 -8.78186 2.72331 -8.78188 -35.8019 -6.98187 2.72321 -6.98194 4.91231 GPRESSAVG: 3236000 -18.8215 -9.33659 3.27224 -5.56566 -36.2757 -5.98004 3.04353 -7.16011 4.59098 TIMING: 3236000 CPU: 9670.95, 0.00303761/step Wall: 9670.95, 0.00303761/step, 1.48843 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: 3236000 735.6611 2093.3330 1965.1669 118.9220 -206048.3431 17719.2564 0.0000 0.0000 34080.5247 -149335.4791 297.6337 -183416.0037 -149241.7630 299.5913 -91.0880 -58.1055 556543.4524 -16.9059 -16.8354 PRESSURE: 3236200 59.0845 72.3782 -38.915 72.377 62.0654 113.979 -38.9153 113.979 -44.0807 GPRESSURE: 3236200 92.2269 31.3458 -22.6895 99.5963 9.47878 127.081 -51.6006 81.6463 60.4282 PRESSAVG: 3236200 14.0865 39.9302 67.4685 39.9301 -58.6302 -9.31062 67.4685 -9.31067 60.3119 GPRESSAVG: 3236200 12.2727 40.8338 66.8939 38.4465 -57.4064 -8.70282 67.9195 -12.4309 61.124 TIMING: 3236200 CPU: 9671.56, 0.00306437/step Wall: 9671.56, 0.00306437/step, 1.50137 hours remaining, 207.218750 MB of memory in use. ENERGY: 3236200 740.3707 2134.5098 1970.9895 114.9610 -206114.3467 17597.3911 0.0000 0.0000 34100.9552 -149455.1694 297.8121 -183556.1246 -149356.0806 298.9553 25.6898 54.0446 556373.8149 5.2561 5.3301 LDB: ============= START OF LOAD BALANCING ============== 9675 LDB: ============== END OF LOAD BALANCING =============== 9675 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9675 LDB: ============= START OF LOAD BALANCING ============== 9675.3 LDB: Largest compute 4820 load 0.027302 is 23.1% of average load 0.118086 LDB: Average compute 0.001743 is 1.5% of average load 0.118086 LDB: TIME 9675.3 LOAD: AVG 0.118086 MAX 0.210086 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 9675.3 LOAD: AVG 0.118086 MAX 0.210086 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.406 MB LDB: TIME 9675.3 LOAD: AVG 0.118086 MAX 0.210086 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9675.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9675.31 PRESSURE: 3236400 -207.353 73.4878 -165.414 73.4878 21.7939 -190.455 -165.416 -190.455 140.033 GPRESSURE: 3236400 -135.677 -18.6344 -108.256 144.946 47.446 -198.07 -152.048 -230.606 130.237 PRESSAVG: 3236400 -23.1031 -20.8054 -15.1808 -20.8054 66.5945 1.29547 -15.1809 1.29534 8.09507 GPRESSAVG: 3236400 -21.6372 -21.6675 -15.2595 -20.221 65.4116 1.38321 -14.1888 2.75538 7.15154 TIMING: 3236400 CPU: 9672.18, 0.00308358/step Wall: 9672.18, 0.00308358/step, 1.51061 hours remaining, 205.796875 MB of memory in use. ENERGY: 3236400 735.5503 2096.0462 1972.5179 112.5593 -206654.7915 17813.1794 0.0000 0.0000 34358.8576 -149566.0808 300.0644 -183924.9384 -149471.3492 298.7008 -15.1753 14.0019 555293.6729 17.1955 16.9753 PRESSURE: 3236600 -94.6982 73.8526 3.09266 73.8525 -64.7117 -8.86087 3.09195 -8.86069 -125.661 GPRESSURE: 3236600 -81.0408 144.683 -18.6777 34.1462 31.8076 -103.569 -36.2982 -32.1172 -137.338 PRESSAVG: 3236600 -73.4626 27.1652 -5.77422 27.1653 58.0861 -34.6049 -5.77421 -34.6049 21.732 GPRESSAVG: 3236600 -73.4606 28.3971 -6.58432 27.0802 58.7259 -34.4907 -6.22009 -33.6429 21.3877 TIMING: 3236600 CPU: 9672.78, 0.00300652/step Wall: 9672.78, 0.00300652/step, 1.47269 hours remaining, 205.796875 MB of memory in use. ENERGY: 3236600 734.2912 2115.5264 1970.5547 109.9666 -206078.6492 17468.3720 0.0000 0.0000 34149.7730 -149530.1654 298.2385 -183679.9384 -149426.2165 297.8128 -95.0238 -62.1905 556020.4399 2.1185 2.2177 PRESSURE: 3236800 203.233 -0.612719 30.6487 -0.61193 17.9538 -131.336 30.6498 -131.337 68.8403 GPRESSURE: 3236800 132.123 -62.1771 -5.65208 14.9053 31.6516 -153.594 71.9452 -133.519 198.493 PRESSAVG: 3236800 -21.946 44.4794 -33.1007 44.4794 2.65666 -27.0672 -33.1007 -27.0672 36.1026 GPRESSAVG: 3236800 -22.8497 41.7749 -32.1452 46.2671 1.97468 -30.5232 -33.8165 -24.1084 37.5988 TIMING: 3236800 CPU: 9673.38, 0.00300397/step Wall: 9673.38, 0.00300397/step, 1.47128 hours remaining, 205.796875 MB of memory in use. ENERGY: 3236800 766.1858 2143.9831 1957.9296 104.9344 -206623.2591 17922.3616 0.0000 0.0000 34085.4385 -149642.4261 297.6766 -183727.8646 -149552.7836 298.3204 96.6758 120.7561 555820.0340 5.6044 5.5746 PRESSURE: 3237000 15.7775 -97.7632 -1.28408 -97.7635 -80.6074 86.69 -1.28431 86.6891 157.935 GPRESSURE: 3237000 67.5045 -5.35117 -65.0148 -150.131 -88.2865 5.5935 -10.4271 130.93 210.093 PRESSAVG: 3237000 -43.3753 -24.8168 18.288 -24.8167 24.9498 8.90812 18.288 8.90819 39.3064 GPRESSAVG: 3237000 -43.1593 -21.6572 14.5031 -27.443 25.6216 14.4515 20.3875 3.56904 38.1779 TIMING: 3237000 CPU: 9673.98, 0.00300571/step Wall: 9673.98, 0.00300571/step, 1.47196 hours remaining, 205.796875 MB of memory in use. ENERGY: 3237000 714.0406 2152.3682 1956.7134 104.8000 -206463.1345 17748.1759 0.0000 0.0000 34033.8477 -149753.1888 297.2261 -183787.0364 -149672.5238 298.2359 31.0350 63.1038 556219.3823 6.9603 6.8801 PRESSURE: 3237200 -114.848 22.5851 -97.0671 22.5858 63.0863 -191.534 -97.0683 -191.534 -121.104 GPRESSURE: 3237200 -41.2149 14.2337 -86.4897 9.90086 39.6785 -163.111 -42.6357 -253.673 -66.0416 PRESSAVG: 3237200 -60.0745 -38.8188 -52.6118 -38.8189 -20.2008 32.9666 -52.6118 32.9665 50.5549 GPRESSAVG: 3237200 -59.9921 -37.9627 -49.372 -38.8242 -21.2291 31.6111 -55.215 33.0034 51.3813 TIMING: 3237200 CPU: 9674.59, 0.00301308/step Wall: 9674.59, 0.00301308/step, 1.47541 hours remaining, 205.796875 MB of memory in use. ENERGY: 3237200 767.8661 2133.1896 1926.8930 114.7808 -206713.3712 17909.9116 0.0000 0.0000 34053.8039 -149806.9262 297.4003 -183860.7301 -149712.5352 298.0017 -57.6216 -22.5260 556805.8242 -9.9068 -9.9467 PRESSURE: 3237400 20.6078 24.4398 43.4842 24.4404 8.28465 11.8027 43.4856 11.8006 -5.65686 GPRESSURE: 3237400 58.1402 44.8862 97.0722 65.4925 80.0416 -94.2792 51.4852 35.8051 -18.5496 PRESSAVG: 3237400 -54.8873 -26.7641 27.0851 -26.7641 31.2309 17.4702 27.085 17.4701 11.3764 GPRESSAVG: 3237400 -54.8591 -28.6398 26.7521 -26.8223 32.5471 15.5675 29.0607 20.092 9.76406 TIMING: 3237400 CPU: 9675.19, 0.00301203/step Wall: 9675.19, 0.00301203/step, 1.47472 hours remaining, 205.796875 MB of memory in use. ENERGY: 3237400 774.2319 2139.0328 1947.4196 116.1244 -206768.5293 17905.2776 0.0000 0.0000 34232.9692 -149653.4738 298.9650 -183886.4430 -149555.3357 297.8187 7.7452 39.8774 556289.7209 -4.0933 -4.1826 PRESSURE: 3237600 224.37 -120.638 -28.1914 -120.639 1.65258 26.3514 -28.1921 26.3507 -76.8899 GPRESSURE: 3237600 286.254 -142.697 -70.4508 -12.692 -2.75059 -63.7698 -20.8574 70.207 -36.3071 PRESSAVG: 3237600 26.68 -16.2096 9.16804 -16.2096 -53.9003 -2.89655 9.16796 -2.89656 26.3988 GPRESSAVG: 3237600 26.1337 -16.2868 9.7936 -15.3233 -54.6479 -3.83801 7.55918 -2.01359 27.2674 TIMING: 3237600 CPU: 9675.79, 0.00301538/step Wall: 9675.79, 0.00301538/step, 1.47619 hours remaining, 205.796875 MB of memory in use. ENERGY: 3237600 734.0867 2113.7122 1949.3823 110.0011 -206555.2303 17768.7837 0.0000 0.0000 34334.9685 -149544.2958 299.8558 -183879.2643 -149435.0243 298.3085 49.7109 82.3988 557182.1232 -0.2739 -0.4156 PRESSURE: 3237800 315.219 -155.626 -78.8144 -155.626 279.29 30.849 -78.8147 30.8485 -16.6117 GPRESSURE: 3237800 387.511 -18.1496 -25.2565 -158.1 321.582 53.9152 -51.5069 122.583 -35.8573 PRESSAVG: 3237800 67.2077 -52.3944 19.4328 -52.3944 -20.395 -1.20558 19.4327 -1.20573 -45.7088 GPRESSAVG: 3237800 67.5352 -52.0735 18.4848 -55.6697 -21.2078 0.078861 20.7139 -2.72381 -45.5042 TIMING: 3237800 CPU: 9676.39, 0.00299413/step Wall: 9676.39, 0.00299413/step, 1.46563 hours remaining, 205.796875 MB of memory in use. ENERGY: 3237800 734.9890 2100.7053 1953.0360 117.1708 -206928.0236 18241.8630 0.0000 0.0000 34300.3304 -149479.9291 299.5533 -183780.2595 -149381.5736 298.6472 192.6325 224.4119 556412.0778 0.3679 0.2744 PRESSURE: 3238000 -72.6368 -41.0849 74.0235 -41.0835 -122.71 -58.8766 74.023 -58.8754 45.8169 GPRESSURE: 3238000 -11.274 -64.3945 53.9669 -3.3989 -22.509 -79.9621 137.291 -89.1584 -18.4021 PRESSAVG: 3238000 15.5674 -4.34153 3.20721 -4.34145 -30.6316 -23.2109 3.20718 -23.211 38.5737 GPRESSAVG: 3238000 15.0086 -6.0964 2.86237 -1.77248 -31.3151 -22.6659 4.26434 -22.7162 39.244 TIMING: 3238000 CPU: 9677, 0.00303494/step Wall: 9677, 0.00303494/step, 1.48543 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: 3238000 761.4142 2108.4303 1950.4250 108.8272 -206521.3226 17800.1684 0.0000 0.0000 34295.0530 -149497.0044 299.5072 -183792.0574 -149398.9222 299.4491 -49.8432 -17.3950 559076.6799 7.8365 7.6458 PRESSURE: 3238200 -206.235 -150.107 -23.8188 -150.107 -96.886 -247.265 -23.818 -247.264 -25.6314 GPRESSURE: 3238200 -174.556 -122.497 34.0897 -212.248 -113.521 -179.362 -53.3486 -279.577 60.9034 PRESSAVG: 3238200 -22.308 -44.3667 -10.3657 -44.3667 -6.63137 -39.9855 -10.3657 -39.9854 -5.27752 GPRESSAVG: 3238200 -22.7062 -41.7035 -8.08221 -46.8535 -4.75065 -41.5945 -12.6177 -41.1458 -7.05924 TIMING: 3238200 CPU: 9677.6, 0.00302902/step Wall: 9677.6, 0.00302902/step, 1.48237 hours remaining, 205.796875 MB of memory in use. ENERGY: 3238200 736.7364 2068.2119 1960.9317 112.4827 -206074.0091 17548.0747 0.0000 0.0000 34169.9762 -149477.5954 298.4149 -183647.5716 -149383.2242 299.1306 -109.5842 -75.7243 558222.3294 -11.4056 -11.5053 PRESSURE: 3238400 -235.282 -170.38 74.3257 -170.381 -170.202 -29.6346 74.3251 -29.6351 -116.819 GPRESSURE: 3238400 -193.421 -225.599 -15.9243 -154.494 -181.909 11.2645 101.173 -97.7094 -31.6785 PRESSAVG: 3238400 40.5113 -34.5038 31.9333 -34.5038 -78.3077 -25.3922 31.9333 -25.3921 26.5472 GPRESSAVG: 3238400 41.0275 -37.0987 29.7392 -32.041 -80.5226 -22.5817 32.2763 -24.2234 27.4334 TIMING: 3238400 CPU: 9678.2, 0.0030096/step Wall: 9678.2, 0.0030096/step, 1.4727 hours remaining, 205.796875 MB of memory in use. ENERGY: 3238400 774.4383 2030.1538 1962.3160 100.1434 -206609.0135 17782.1573 0.0000 0.0000 34185.2203 -149774.5845 298.5480 -183959.8048 -149676.3918 298.3011 -174.1010 -135.6695 557216.3791 -3.7497 -4.0206 PRESSURE: 3238600 258.388 -53.1649 72.6739 -53.1658 161.208 16.5185 72.674 16.5188 411.586 GPRESSURE: 3238600 319.413 -4.39479 136.14 -48.3345 192.528 -3.65364 57.2105 61.7098 404.965 PRESSAVG: 3238600 34.3836 4.68794 40.9097 4.68786 -26.5805 7.55085 40.9097 7.5509 -4.61967 GPRESSAVG: 3238600 34.1285 5.12524 42.7499 3.44104 -26.5338 7.91676 39.8293 6.2089 -4.4488 TIMING: 3238600 CPU: 9678.81, 0.00302401/step Wall: 9678.81, 0.00302401/step, 1.47958 hours remaining, 205.796875 MB of memory in use. ENERGY: 3238600 708.2168 2054.3806 1950.6040 112.0906 -206858.2671 18176.8083 0.0000 0.0000 34147.2143 -149708.9524 298.2161 -183856.1667 -149616.5402 297.9860 277.0606 305.6354 555968.8504 1.0611 1.0486 PRESSURE: 3238800 -368.731 17.5489 89.2213 17.5475 70.7772 5.87269 89.2218 5.87359 -113.831 GPRESSURE: 3238800 -400.99 -47.6187 93.0784 5.78169 63.3652 11.5408 104.919 2.75888 23.9558 PRESSAVG: 3238800 -65.3828 -40.0818 25.8377 -40.0818 29.7769 48.9648 25.8377 48.9647 20.7553 GPRESSAVG: 3238800 -65.8877 -39.6867 27.6578 -37.9831 30.6714 45.352 26.0374 50.8608 20.1032 TIMING: 3238800 CPU: 9679.41, 0.00300983/step Wall: 9679.41, 0.00300983/step, 1.47247 hours remaining, 205.796875 MB of memory in use. ENERGY: 3238800 769.5594 2019.4607 1954.7750 115.4333 -206340.5044 17822.8274 0.0000 0.0000 34182.6394 -149475.8091 298.5255 -183658.4485 -149373.0826 297.4831 -137.2618 -104.5564 558123.6462 -4.9502 -5.0377 PRESSURE: 3239000 203.136 106.207 138.744 106.206 158.465 -87.8233 138.744 -87.8227 -25.7366 GPRESSURE: 3239000 239.048 119.172 31.3372 -10.6815 220.495 -64.4655 115.507 -94.0571 -28.5416 PRESSAVG: 3239000 -37.6702 12.5966 5.23273 12.5966 39.5601 -37.2165 5.23267 -37.2166 -40.4476 GPRESSAVG: 3239000 -38.2276 11.7956 3.12239 10.8957 38.7972 -36.1778 6.05339 -38.6249 -39.9514 TIMING: 3239000 CPU: 9680.02, 0.00301921/step Wall: 9680.02, 0.00301921/step, 1.4769 hours remaining, 205.796875 MB of memory in use. ENERGY: 3239000 780.7805 2041.0678 1978.7381 112.8569 -206917.7916 18373.2359 0.0000 0.0000 34169.3318 -149461.7806 298.4093 -183631.1123 -149366.1269 297.6509 111.9547 143.6670 557416.9738 -12.8526 -13.1273 PRESSURE: 3239200 -320.013 -12.6209 -128.931 -12.6214 -296.312 -54.6066 -128.931 -54.6065 -359.117 GPRESSURE: 3239200 -278.899 66.4775 -207.409 -74.644 -327.593 -130.146 -107.559 52.2291 -276.128 PRESSAVG: 3239200 21.0858 15.0762 -49.4559 15.0762 -1.27228 -70.8111 -49.4559 -70.8111 -17.9897 GPRESSAVG: 3239200 21.4157 15.6322 -48.1015 14.279 0.0161555 -70.3213 -49.2617 -71.0791 -19.0411 TIMING: 3239200 CPU: 9680.62, 0.00302525/step Wall: 9680.62, 0.00302525/step, 1.47968 hours remaining, 205.796875 MB of memory in use. ENERGY: 3239200 777.4937 2096.4607 1975.4679 111.3218 -206263.6571 17569.1220 0.0000 0.0000 34134.9460 -149598.8450 298.1090 -183733.7910 -149499.9037 298.2586 -325.1471 -294.2069 558178.4264 0.6079 0.7969 PRESSURE: 3239400 -190.247 -59.0754 -79.7355 -59.0755 111.473 128.595 -79.7357 128.596 93.3985 GPRESSURE: 3239400 -182.812 -32.2872 -71.2954 -58.1959 137.223 105.29 -108.147 126.499 150.694 PRESSAVG: 3239400 -45.9184 -30.1112 -41.3757 -30.1112 40.3282 -5.36091 -41.3758 -5.36091 55.5025 GPRESSAVG: 3239400 -45.0829 -30.3096 -43.1514 -28.6325 39.2354 -4.87857 -41.3052 -4.8861 55.9299 TIMING: 3239400 CPU: 9681.22, 0.00300518/step Wall: 9681.22, 0.00300518/step, 1.4697 hours remaining, 205.796875 MB of memory in use. ENERGY: 3239400 720.4187 2005.9430 1978.4845 103.3196 -206011.8518 17507.4293 0.0000 0.0000 34223.7720 -149472.4847 298.8847 -183696.2567 -149379.6571 298.7745 4.8746 35.0352 556631.4508 16.6374 16.6941 PRESSURE: 3239600 -57.2018 10.2041 -59.0954 10.2034 111.088 28.2118 -59.0943 28.2137 -17.8584 GPRESSURE: 3239600 10.6195 -7.16767 -31.3558 13.251 154.231 77.7433 -57.6241 -10.6924 -49.8209 PRESSAVG: 3239600 -67.2531 -43.0543 -10.6243 -43.0541 106.753 13.6061 -10.6244 13.6061 8.33708 GPRESSAVG: 3239600 -68.5158 -43.6143 -9.05888 -42.4161 106.864 13.3868 -10.0823 14.7992 9.22486 TIMING: 3239600 CPU: 9681.82, 0.0029999/step Wall: 9681.82, 0.0029999/step, 1.46695 hours remaining, 205.796875 MB of memory in use. ENERGY: 3239600 781.1349 2105.2764 1934.3532 108.8791 -206726.4603 17973.5587 0.0000 0.0000 34274.9356 -149548.3224 299.3315 -183823.2580 -149448.5881 298.1204 12.0091 38.3432 557599.0940 15.9456 15.8578 PRESSURE: 3239800 72.74 130.641 -55.7948 130.642 -22.8162 -199.888 -55.7933 -199.887 215.686 GPRESSURE: 3239800 151.651 181.654 -6.34704 69.1597 11.9556 -192.168 -39.2476 -96.163 204.185 PRESSAVG: 3239800 -22.6921 30.0174 -17.369 30.0173 18.5909 -48.1983 -17.3689 -48.1984 5.83557 GPRESSAVG: 3239800 -22.3474 30.9926 -19.4431 28.5505 18.5925 -49.6819 -16.5584 -50.0017 5.2874 TIMING: 3239800 CPU: 9682.42, 0.00301805/step Wall: 9682.42, 0.00301805/step, 1.47566 hours remaining, 205.796875 MB of memory in use. ENERGY: 3239800 755.2083 2104.3523 1931.2444 115.1457 -206538.1489 18063.9092 0.0000 0.0000 34093.6462 -149474.6429 297.7483 -183568.2891 -149380.2251 298.5021 88.5368 122.5970 556820.5420 0.5781 0.5108 PRESSURE: 3240000 250.334 -19.7964 -103.23 -19.7965 -239.677 50.7234 -103.23 50.7234 -96.9892 GPRESSURE: 3240000 233.188 2.19193 -50.0877 -78.8992 -156.477 133.182 -167.922 -15.6801 -59.9041 PRESSAVG: 3240000 39.687 -24.5041 22.1357 -24.5041 -15.5621 -40.0666 22.1356 -40.0667 -2.32116 GPRESSAVG: 3240000 39.884 -24.5183 22.1012 -24.0185 -15.1193 -37.2234 20.4322 -38.9854 -2.9194 TIMING: 3240000 CPU: 9683.03, 0.00300615/step Wall: 9683.03, 0.00300615/step, 1.46967 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: 3240000 726.5132 2131.9212 1961.3823 112.1598 -206498.9269 17707.3058 0.0000 0.0000 34409.8601 -149449.7845 300.5099 -183859.6446 -149356.5754 298.9472 -28.7771 5.6022 555827.1804 7.2679 7.2818 PRESSURE: 3240200 40.4153 114.464 9.19542 114.464 32.9792 -31.4784 9.19406 -31.4783 -311.127 GPRESSURE: 3240200 58.6926 118.609 15.0019 103.299 54.1438 5.29595 -15.8383 -56.5293 -248.853 PRESSAVG: 3240200 -33.5728 -12.6857 1.41777 -12.6857 83.5757 18.435 1.41779 18.4349 -41.8496 GPRESSAVG: 3240200 -33.7429 -13.2808 2.59531 -12.4332 85.1396 16.7377 0.719189 16.8913 -42.6247 TIMING: 3240200 CPU: 9683.63, 0.00300377/step Wall: 9683.63, 0.00300377/step, 1.46835 hours remaining, 205.796875 MB of memory in use. ENERGY: 3240200 736.0323 2109.1976 1951.7929 114.7467 -206006.4856 17601.2197 0.0000 0.0000 34093.8413 -149399.6550 297.7500 -183493.4964 -149307.3366 299.1021 -79.2443 -45.3388 556226.8377 2.7178 2.9240 LDB: ============= START OF LOAD BALANCING ============== 9687.06 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 9687.06 LDB: =============== DONE WITH MIGRATION ================ 9687.06 LDB: ============= START OF LOAD BALANCING ============== 9687.36 LDB: Largest compute 4819 load 0.027656 is 23.4% of average load 0.118117 LDB: Average compute 0.001746 is 1.5% of average load 0.118117 LDB: TIME 9687.36 LOAD: AVG 0.118117 MAX 0.209748 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 9687.36 LOAD: AVG 0.118117 MAX 0.209748 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: TIME 9687.36 LOAD: AVG 0.118117 MAX 0.209748 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: ============== END OF LOAD BALANCING =============== 9687.36 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9687.37 PRESSURE: 3240400 -251.78 3.07551 -89.2519 3.07604 -196.746 35.6052 -89.2524 35.6048 -217.969 GPRESSURE: 3240400 -141.371 75.1547 -105.149 -40.1847 -223.093 80.0475 -130.166 7.74261 -197.374 PRESSAVG: 3240400 26.1185 43.227 -23.197 43.227 8.96158 -6.38725 -23.197 -6.38715 -20.7886 GPRESSAVG: 3240400 27.6157 43.7652 -24.0228 44.556 7.54869 -6.62845 -21.4169 -5.24644 -19.755 TIMING: 3240400 CPU: 9684.24, 0.00305342/step Wall: 9684.24, 0.00305342/step, 1.49244 hours remaining, 206.968750 MB of memory in use. ENERGY: 3240400 767.9929 2099.3235 1932.4009 115.8781 -206019.1880 17476.3402 0.0000 0.0000 34388.7653 -149238.4870 300.3256 -183627.2523 -149133.5996 299.2646 -222.1648 -187.2795 557021.6042 4.7638 5.1365 PRESSURE: 3240600 50.1079 143.976 -53.8001 143.975 52.2968 -33.4962 -53.8001 -33.4963 230.933 GPRESSURE: 3240600 74.5213 86.8233 -109.528 137.627 152.763 -131.202 29.5926 44.9975 221.862 PRESSAVG: 3240600 -28.9846 22.6351 -37.7952 22.6351 -4.59793 37.9351 -37.7951 37.9351 -4.41059 GPRESSAVG: 3240600 -28.8398 22.9871 -37.0844 20.3769 -4.32044 36.1916 -37.9686 39.8 -4.95002 TIMING: 3240600 CPU: 9684.84, 0.00302013/step Wall: 9684.84, 0.00302013/step, 1.476 hours remaining, 207.210938 MB of memory in use. ENERGY: 3240600 737.8016 2131.3746 1955.2289 121.6863 -206124.3040 17920.9493 0.0000 0.0000 34043.9605 -149213.3029 297.3144 -183257.2634 -149110.3463 299.6353 111.1126 149.7157 556978.4899 -12.6644 -12.7034 PRESSURE: 3240800 -72.5504 58.8346 109.548 58.8364 315.39 52.1834 109.55 52.1822 -53.2587 GPRESSURE: 3240800 38.1324 96.3568 43.9062 47.4028 278.36 2.888 247.375 53.3635 -38.0471 PRESSAVG: 3240800 1.14823 0.552442 4.98211 0.552446 -4.9244 19.1251 4.98209 19.125 -24.6051 GPRESSAVG: 3240800 0.414419 -1.03608 3.50688 1.25611 -4.81617 19.9893 6.0585 16.7063 -23.7392 TIMING: 3240800 CPU: 9685.45, 0.00304079/step Wall: 9685.45, 0.00304079/step, 1.48593 hours remaining, 207.210938 MB of memory in use. ENERGY: 3240800 761.4122 2130.8704 1913.3754 113.9945 -206401.5721 17970.7972 0.0000 0.0000 34236.3835 -149274.7389 298.9949 -183511.1224 -149173.1395 298.9845 63.1936 92.8151 558453.2020 -9.4604 -9.3803 PRESSURE: 3241000 11.1052 117.259 -27.9634 117.26 -109.775 -99.6853 -27.9629 -99.6859 286.543 GPRESSURE: 3241000 87.6126 38.769 -40.0679 172.861 -69.0602 -194.745 38.5742 -115.743 267.825 PRESSAVG: 3241000 -33.4035 -12.271 -13.4818 -12.2709 23.809 -3.54066 -13.4819 -3.54058 -7.68917 GPRESSAVG: 3241000 -34.415 -13.2401 -10.4611 -11.6465 23.6491 -2.57852 -12.9684 -3.37602 -6.42732 TIMING: 3241000 CPU: 9686.05, 0.00301842/step Wall: 9686.05, 0.00301842/step, 1.47483 hours remaining, 207.210938 MB of memory in use. ENERGY: 3241000 730.9459 2066.3539 1917.3012 118.8961 -206129.8137 17885.9913 0.0000 0.0000 34296.7477 -149113.5775 299.5220 -183410.3252 -149026.6244 298.1366 62.6244 95.4591 556179.1279 -5.7612 -5.7311 PRESSURE: 3241200 -107.164 -9.72379 1.04441 -9.72333 169.185 -22.7988 1.04471 -22.8013 -114.545 GPRESSURE: 3241200 -46.1968 8.79749 -53.3214 -6.70438 158.351 33.762 -44.7211 13.2302 -63.5778 PRESSAVG: 3241200 -85.7788 13.8332 20.5522 13.8332 81.0491 16.5305 20.5522 16.5306 33.1758 GPRESSAVG: 3241200 -85.2434 16.1212 19.5729 11.1845 81.8623 15.2946 20.096 18.2537 31.9144 TIMING: 3241200 CPU: 9686.65, 0.00299914/step Wall: 9686.65, 0.00299914/step, 1.46525 hours remaining, 207.210938 MB of memory in use. ENERGY: 3241200 756.0468 1996.9302 1930.2279 118.4895 -205871.8494 17709.8636 0.0000 0.0000 34058.2651 -149302.0263 297.4393 -183360.2914 -149204.1356 298.9846 -17.5078 16.1922 557133.9650 9.4820 9.5111 PRESSURE: 3241400 -171.786 -134.105 57.7413 -134.106 -33.0692 220.303 57.7411 220.303 -41.4478 GPRESSURE: 3241400 -152.881 -93.06 79.6673 -199.029 14.362 201.189 3.42481 298.115 -11.8336 PRESSAVG: 3241400 -90.7224 -2.71942 22.2233 -2.71941 34.2538 38.3224 22.2234 38.3223 11.7825 GPRESSAVG: 3241400 -89.6386 -3.0186 22.4665 0.231268 32.4925 37.856 20.2985 36.9057 12.4253 TIMING: 3241400 CPU: 9687.25, 0.00300472/step Wall: 9687.25, 0.00300472/step, 1.46781 hours remaining, 207.375000 MB of memory in use. ENERGY: 3241400 730.4656 2103.4668 1953.3074 124.9766 -206062.4625 17566.4100 0.0000 0.0000 34345.4096 -149238.4265 299.9470 -183583.8361 -149133.1346 298.4493 -82.1011 -50.1176 557426.0272 -14.8954 -14.9069 PRESSURE: 3241600 -139.324 157.418 68.2343 157.418 79.6757 -84.2178 68.2351 -84.2187 -0.205529 GPRESSURE: 3241600 -117.552 115.593 114.4 201.279 130.25 -107.361 46.6203 -50.6773 6.61528 PRESSAVG: 3241600 8.07505 21.464 38.4133 21.464 16.6333 20.7429 38.4133 20.7428 -20.6206 GPRESSAVG: 3241600 7.62106 19.6827 38.3712 22.1979 16.7428 20.9384 39.6039 21.3198 -20.261 TIMING: 3241600 CPU: 9687.85, 0.00299746/step Wall: 9687.85, 0.00299746/step, 1.46409 hours remaining, 207.375000 MB of memory in use. ENERGY: 3241600 731.5937 2078.4986 1950.6525 114.9642 -206358.1164 17776.2891 0.0000 0.0000 34379.2870 -149326.8313 300.2429 -183706.1183 -149225.8641 298.6098 -19.9511 6.4377 557469.6782 1.3626 1.3676 PRESSURE: 3241800 54.6713 -18.3235 -64.8053 -18.3247 -213.928 81.3787 -64.8044 81.3787 -70.5143 GPRESSURE: 3241800 40.912 -84.5714 -52.199 3.17169 -157.572 -38.6431 -6.2862 106.759 -7.51961 PRESSAVG: 3241800 -37.1913 21.2129 18.2168 21.2129 -32.7978 -2.59807 18.2167 -2.59803 81.0326 GPRESSAVG: 3241800 -38.0245 23.6947 17.3164 19.1661 -31.9396 -0.826754 19.5563 -3.26041 81.3098 TIMING: 3241800 CPU: 9688.45, 0.00299585/step Wall: 9688.45, 0.00299585/step, 1.46314 hours remaining, 207.375000 MB of memory in use. ENERGY: 3241800 770.8683 2125.9923 1940.7664 128.0126 -206368.6792 17899.3197 0.0000 0.0000 34053.2344 -149450.4854 297.3954 -183503.7198 -149357.2115 299.1374 -76.5903 -41.3930 556929.5172 3.6812 3.7819 PRESSURE: 3242000 -48.2864 67.8973 129.647 67.8985 -155.269 -88.4475 129.647 -88.4476 -63.3529 GPRESSURE: 3242000 -13.943 100.365 92.4558 103.642 -94.9108 -89.3778 75.7614 -101.203 -60.3518 PRESSAVG: 3242000 64.4655 51.0162 -17.3631 51.0162 -53.4942 -83.0399 -17.3631 -83.04 43.6466 GPRESSAVG: 3242000 65.487 50.898 -18.0495 51.0191 -53.91 -82.086 -17.5992 -83.7737 42.9356 TIMING: 3242000 CPU: 9689.05, 0.00299957/step Wall: 9689.05, 0.00299957/step, 1.46479 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: 3242000 717.2069 2060.0979 1952.2835 131.2244 -206004.7196 17744.2384 0.0000 0.0000 34145.2922 -149254.3763 298.1993 -183399.6685 -149159.7443 298.4509 -88.9693 -56.4019 557419.0196 18.2059 18.1709 PRESSURE: 3242200 -235.77 16.9062 -1.92063 16.9064 -161.11 -272.19 -1.92108 -272.19 16.8718 GPRESSURE: 3242200 -214.572 23.361 53.3773 -4.25084 -104.481 -268.075 3.98359 -296.332 41.2853 PRESSAVG: 3242200 -63.4134 -10.0319 -14.5135 -10.0319 -13.3596 -46.7778 -14.5135 -46.7779 90.4557 GPRESSAVG: 3242200 -62.8776 -8.19833 -15.0217 -9.60819 -14.1681 -46.0046 -13.8747 -46.4716 90.9511 TIMING: 3242200 CPU: 9689.65, 0.00299309/step Wall: 9689.65, 0.00299309/step, 1.46146 hours remaining, 207.375000 MB of memory in use. ENERGY: 3242200 749.6607 2077.7332 1969.5196 120.3821 -205906.9509 17540.3430 0.0000 0.0000 34266.1586 -149183.1536 299.2549 -183449.3122 -149086.5140 298.7138 -126.6692 -92.5892 556223.4752 4.5609 4.6351 PRESSURE: 3242400 191.721 9.36585 101.892 9.36591 71.7323 -61.6835 101.892 -61.6831 263.48 GPRESSURE: 3242400 265.438 -4.80465 73.0778 -8.3852 29.2098 -87.792 -20.5891 -7.51768 324.524 PRESSAVG: 3242400 -58.1561 28.503 23.2092 28.503 28.6903 -20.2872 23.2092 -20.2872 60.3448 GPRESSAVG: 3242400 -59.069 25.9698 22.562 28.3191 28.6902 -23.0452 23.7125 -18.4123 61.0548 TIMING: 3242400 CPU: 9690.25, 0.00300762/step Wall: 9690.25, 0.00300762/step, 1.46839 hours remaining, 207.375000 MB of memory in use. ENERGY: 3242400 799.8776 2093.3501 1954.7573 105.0586 -206513.7453 18059.8824 0.0000 0.0000 34283.0257 -149217.7935 299.4022 -183500.8192 -149127.3468 299.6778 175.6443 206.3905 555813.7297 10.2930 10.2253 PRESSURE: 3242600 -46.8111 -247.377 -11.5699 -247.375 -427.818 -60.6834 -11.5699 -60.6835 -103.245 GPRESSURE: 3242600 -14.5794 -298.313 8.33649 -150.817 -397.822 11.157 -73.8551 -65.525 -66.2736 PRESSAVG: 3242600 -11.6371 17.7829 -3.71532 17.7829 1.17067 -8.02562 -3.7152 -8.02553 11.0196 GPRESSAVG: 3242600 -10.3107 18.5981 -2.14913 17.3372 1.39244 -7.04426 -7.10906 -10.0607 9.25437 TIMING: 3242600 CPU: 9690.86, 0.00302306/step Wall: 9690.86, 0.00302306/step, 1.47576 hours remaining, 207.375000 MB of memory in use. ENERGY: 3242600 757.8710 2067.4419 1972.3762 107.0236 -206141.7341 17574.5853 0.0000 0.0000 34456.5357 -149205.9004 300.9175 -183662.4360 -149113.1435 299.2386 -192.6248 -159.5583 557033.1553 0.1844 0.1120 PRESSURE: 3242800 -351.128 21.6454 -16.2091 21.6458 16.8668 54.7192 -16.2094 54.7182 186.779 GPRESSURE: 3242800 -284.949 24.4811 47.3282 -39.0536 -6.46643 61.2752 -59.0085 -33.5277 260.872 PRESSAVG: 3242800 -39.8609 4.64873 -3.2498 4.64876 20.6926 -13.0964 -3.24973 -13.0965 36.4335 GPRESSAVG: 3242800 -40.5378 4.86112 -2.59277 6.98285 20.536 -14.11 -1.04925 -12.984 37.7348 TIMING: 3242800 CPU: 9691.46, 0.00302429/step Wall: 9691.46, 0.00302429/step, 1.47619 hours remaining, 207.375000 MB of memory in use. ENERGY: 3242800 731.0374 2084.4782 1986.3385 115.1732 -205829.1038 17621.4840 0.0000 0.0000 34269.2924 -149021.3000 299.2823 -183290.5924 -148921.4007 299.5251 -49.1607 -10.1813 556639.3843 5.7551 5.9110 PRESSURE: 3243000 -95.2187 -1.64293 -20.4772 -1.64341 -90.5734 -71.3054 -20.4759 -71.3051 -152.722 GPRESSURE: 3243000 -56.6711 23.4537 -6.28812 36.0181 -38.4363 -136.67 -76.1385 -12.3012 -142.781 PRESSAVG: 3243000 -77.2603 34.4011 29.5205 34.4011 40.5921 -22.1432 29.5205 -22.1432 40.0518 GPRESSAVG: 3243000 -76.9816 33.9473 28.4962 29.9656 42.3861 -21.7864 28.4041 -21.1716 38.4639 TIMING: 3243000 CPU: 9692.07, 0.00303003/step Wall: 9692.07, 0.00303003/step, 1.47882 hours remaining, 207.375000 MB of memory in use. ENERGY: 3243000 782.6052 2079.3720 1952.2755 99.7871 -205873.3927 17745.7897 0.0000 0.0000 34169.2429 -149044.3202 298.4085 -183213.5631 -148953.8306 299.7462 -112.8379 -79.2963 558162.5754 1.1279 1.2895 PRESSURE: 3243200 173.213 81.536 -39.9854 81.5366 -255.164 -70.4517 -39.9854 -70.4509 -104.613 GPRESSURE: 3243200 167.891 85.7563 -59.6809 35.3055 -217.935 -37.0358 -93.1344 -95.7006 -34.0377 PRESSAVG: 3243200 -16.1797 20.8057 -11.3444 20.8057 -27.1327 -41.1429 -11.3446 -41.1429 15.0365 GPRESSAVG: 3243200 -17.0651 20.7389 -11.1104 21.7283 -28.9009 -39.7678 -8.89506 -42.3581 17.0783 TIMING: 3243200 CPU: 9692.67, 0.00302341/step Wall: 9692.67, 0.00302341/step, 1.47542 hours remaining, 207.375000 MB of memory in use. ENERGY: 3243200 761.9309 2021.7987 1952.6452 109.2428 -206006.7100 17856.4173 0.0000 0.0000 34277.0395 -149027.6356 299.3499 -183304.6751 -148926.5771 299.3635 -62.1883 -28.0270 558763.0018 -9.4253 -9.6293 PRESSURE: 3243400 9.28386 -43.076 -61.8997 -43.0758 -297.453 -34.1468 -61.8997 -34.145 131.324 GPRESSURE: 3243400 27.4658 49.085 -70.4308 -46.965 -226.793 -141.648 -86.7509 4.98111 146.318 PRESSAVG: 3243400 36.1124 2.65962 39.9043 2.65974 -20.4271 21.8748 39.9043 21.8747 31.1851 GPRESSAVG: 3243400 36.1603 4.38191 40.0943 3.1696 -20.7392 19.3417 39.7446 23.0272 31.0565 TIMING: 3243400 CPU: 9693.28, 0.00305389/step Wall: 9693.28, 0.00305389/step, 1.49013 hours remaining, 207.375000 MB of memory in use. ENERGY: 3243400 755.4031 2126.0538 1987.1486 112.8663 -205979.0597 17753.3387 0.0000 0.0000 34314.5100 -148929.7391 299.6772 -183244.2491 -148832.2843 299.4184 -52.2818 -17.6700 558762.3175 15.6235 15.4926 PRESSURE: 3243600 -79.5404 22.4285 136.394 22.4279 -0.374056 96.548 136.395 96.5489 -257.4 GPRESSURE: 3243600 -5.65825 -5.18394 51.0183 61.6793 -58.4252 116.382 110.418 87.6054 -178.515 PRESSAVG: 3243600 -38.424 -23.362 9.80252 -23.362 -26.7708 37.3197 9.80255 37.3197 56.8215 GPRESSAVG: 3243600 -39.2094 -27.0174 9.17318 -21.9995 -26.2412 37.8556 8.75033 37.9134 57.1428 TIMING: 3243600 CPU: 9693.89, 0.00303141/step Wall: 9693.89, 0.00303141/step, 1.47899 hours remaining, 207.375000 MB of memory in use. ENERGY: 3243600 732.2365 2104.5867 1960.0562 113.7943 -206047.1237 17601.8549 0.0000 0.0000 34294.7899 -149239.8052 299.5049 -183534.5951 -149140.6367 299.3603 -112.4381 -80.8660 557911.0484 -2.7911 -2.7693 PRESSURE: 3243800 -139.968 -89.9608 -57.454 -89.9623 -46.5949 -3.029 -57.4525 -3.02678 -22.7646 GPRESSURE: 3243800 -120.941 -144.181 -163.703 -24.0318 -21.4654 34.9452 -54.4677 -25.0029 48.5737 PRESSAVG: 3243800 17.1018 -12.0052 -76.8827 -12.0052 11.7003 66.5729 -76.8827 66.5728 8.57819 GPRESSAVG: 3243800 18.142 -10.9499 -75.8409 -13.2164 11.2591 67.4411 -77.1367 64.4844 7.64981 TIMING: 3243800 CPU: 9694.49, 0.00302348/step Wall: 9694.49, 0.00302348/step, 1.47495 hours remaining, 207.375000 MB of memory in use. ENERGY: 3243800 743.7041 2059.7985 1950.7837 118.3264 -206015.3650 17734.4442 0.0000 0.0000 34369.0842 -149039.2240 300.1538 -183408.3082 -148945.1657 300.0868 -69.7758 -31.2775 558076.5144 12.4601 12.3503 PRESSURE: 3244000 -231.312 -25.2562 188.926 -25.2576 -328.727 41.1959 188.926 41.1959 -170.438 GPRESSURE: 3244000 -207.427 37.1537 175.107 -91.0262 -313.407 -38.3187 190.066 78.8419 -114.334 PRESSAVG: 3244000 -6.47573 -45.8041 -15.3567 -45.8041 -10.5059 9.30875 -15.3567 9.3088 -10.1498 GPRESSAVG: 3244000 -6.52271 -45.5403 -14.7037 -46.1765 -12.0112 8.40864 -13.8235 11.8092 -8.59312 TIMING: 3244000 CPU: 9695.1, 0.00302252/step Wall: 9695.1, 0.00302252/step, 1.47432 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: 3244000 795.9029 2074.4298 1956.9848 112.6321 -205494.5876 17432.5913 0.0000 0.0000 34211.6513 -148910.3955 298.7789 -183122.0468 -148814.7854 299.5932 -243.4920 -211.7226 557801.2462 -9.0438 -9.0423 PRESSURE: 3244200 -179.661 135.539 -48.8982 135.54 -388.23 -53.8348 -48.898 -53.8345 -170.333 GPRESSURE: 3244200 -70.7892 42.9345 -62.5962 130.297 -429.463 -10.3156 -18.0144 -33.5156 -145.739 PRESSAVG: 3244200 7.18562 15.6586 6.24049 15.6587 -23.6777 1.48575 6.24046 1.48577 32.2472 GPRESSAVG: 3244200 6.82288 14.6172 5.31368 15.8838 -21.683 2.2013 6.59739 -1.13905 30.5925 TIMING: 3244200 CPU: 9695.71, 0.00305477/step Wall: 9695.71, 0.00305477/step, 1.48988 hours remaining, 207.375000 MB of memory in use. ENERGY: 3244200 769.1140 2142.5655 1941.3023 117.4966 -205751.8686 17402.8289 0.0000 0.0000 34446.3895 -148932.1718 300.8289 -183378.5613 -148839.8396 299.7857 -246.0750 -215.3305 557079.0370 5.2517 5.2441 LDB: ============= START OF LOAD BALANCING ============== 9699.14 LDB: ============== END OF LOAD BALANCING =============== 9699.14 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9699.14 LDB: ============= START OF LOAD BALANCING ============== 9699.45 LDB: Largest compute 4819 load 0.028400 is 24.1% of average load 0.118021 LDB: Average compute 0.001749 is 1.5% of average load 0.118021 LDB: TIME 9699.45 LOAD: AVG 0.118021 MAX 0.210056 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.129 MB LDB: TIME 9699.45 LOAD: AVG 0.118021 MAX 0.210056 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.191 MB LDB: TIME 9699.45 LOAD: AVG 0.118021 MAX 0.210056 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.191 MB LDB: ============== END OF LOAD BALANCING =============== 9699.45 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9699.45 PRESSURE: 3244400 -193.123 42.5592 9.64011 42.5588 -302.395 -132.005 9.63999 -132.006 -57.907 GPRESSURE: 3244400 -92.8575 53.3551 -30.4516 44.4205 -373.052 -48.7093 39.1007 -147.89 3.90471 PRESSAVG: 3244400 52.0135 19.0879 -19.8337 19.0879 -32.096 -6.5474 -19.8337 -6.54753 -21.3283 GPRESSAVG: 3244400 52.3788 22.0608 -17.2689 17.492 -33.6078 -9.19946 -22.1606 -5.96115 -20.2414 TIMING: 3244400 CPU: 9696.32, 0.00307289/step Wall: 9696.32, 0.00307289/step, 1.49855 hours remaining, 206.968750 MB of memory in use. ENERGY: 3244400 762.5223 2092.1294 1949.7083 124.6493 -205920.1391 17541.9223 0.0000 0.0000 34350.6488 -149098.5587 299.9928 -183449.2075 -148996.0695 299.4303 -184.4751 -154.0016 558118.7276 -0.4703 -0.4902 PRESSURE: 3244600 2.86952 -4.84413 -135.776 -4.84303 -200.334 -115.819 -135.776 -115.821 -73.9361 GPRESSURE: 3244600 82.0399 -67.9645 -116.207 -7.35911 -192.498 -170.62 -186.877 -94.9803 -73.2994 PRESSAVG: 3244600 4.27283 -18.3208 -37.7102 -18.3208 2.72891 34.1965 -37.7101 34.1965 2.60157 GPRESSAVG: 3244600 4.39457 -20.2993 -37.8682 -16.5289 3.54903 36.3779 -35.7848 35.2305 1.96865 TIMING: 3244600 CPU: 9696.93, 0.00301071/step Wall: 9696.93, 0.00301071/step, 1.46806 hours remaining, 206.968750 MB of memory in use. ENERGY: 3244600 757.3238 2071.7748 1952.7093 120.8644 -205946.4435 17681.4891 0.0000 0.0000 34111.4021 -149250.8800 297.9034 -183362.2821 -149156.5826 298.7557 -90.4668 -61.2523 558050.6499 3.2011 3.3041 PRESSURE: 3244800 113.476 -39.0083 89.8167 -39.01 -36.1334 -69.3958 89.8175 -69.3979 -82.0883 GPRESSURE: 3244800 131.098 -85.0929 81.1622 -30.5689 -26.5739 -48.199 142.414 -15.8991 -5.21871 PRESSAVG: 3244800 23.3183 -1.60675 13.8766 -1.60682 20.4455 -5.46857 13.8766 -5.46855 -57.213 GPRESSAVG: 3244800 23.1841 -2.20382 13.9857 -3.63079 20.4792 -6.07586 15.2897 -6.04109 -56.8385 TIMING: 3244800 CPU: 9697.53, 0.00303841/step Wall: 9697.53, 0.00303841/step, 1.48139 hours remaining, 206.968750 MB of memory in use. ENERGY: 3244800 776.1864 2085.6876 1916.0106 116.0880 -206407.4026 17887.0307 0.0000 0.0000 34360.2567 -149266.1425 300.0767 -183626.3992 -149181.6915 298.9828 -1.5818 33.1017 557821.6726 -4.4831 -4.3917 PRESSURE: 3245000 10.3436 -83.0418 -47.8699 -83.0419 19.3338 79.8493 -47.8703 79.8501 -102.784 GPRESSURE: 3245000 22.0767 -9.43289 -23.2097 -79.0835 94.1496 104.258 -41.9687 66.5094 -87.0783 PRESSAVG: 3245000 26.5656 -13.454 -19.2328 -13.4539 -29.8095 2.74171 -19.2327 2.74174 -73.319 GPRESSAVG: 3245000 25.6338 -12.6593 -21.7369 -9.96044 -29.089 3.21812 -20.4124 2.77105 -72.9572 TIMING: 3245000 CPU: 9698.14, 0.00301549/step Wall: 9698.14, 0.00301549/step, 1.47005 hours remaining, 206.968750 MB of memory in use. ENERGY: 3245000 742.8355 2075.4986 1960.8200 119.4423 -206230.3974 17695.5134 0.0000 0.0000 34308.1179 -149328.1698 299.6213 -183636.2877 -149230.9476 299.5613 -24.3689 9.7160 557744.7279 -25.5210 -25.4708 PRESSURE: 3245200 123.407 105.849 49.0249 105.847 98.007 -10.4425 49.0248 -10.4439 201.462 GPRESSURE: 3245200 127.552 78.2647 -9.31283 21.553 103.633 -36.7324 97.3658 37.6029 297.959 PRESSAVG: 3245200 51.3868 27.6847 0.660504 27.6848 -23.3372 5.62878 0.660534 5.62879 -15.7814 GPRESSAVG: 3245200 51.4747 28.1348 1.53546 26.1986 -24.3313 6.25587 1.93157 6.30542 -15.0499 TIMING: 3245200 CPU: 9698.73, 0.00298535/step Wall: 9698.73, 0.00298535/step, 1.45519 hours remaining, 206.968750 MB of memory in use. ENERGY: 3245200 731.1708 2015.0628 1971.2492 122.8499 -206362.6949 17950.2518 0.0000 0.0000 34222.4090 -149349.7013 298.8728 -183572.1103 -149250.1381 298.8346 140.9586 176.3813 557770.2222 4.0894 4.0312 PRESSURE: 3245400 143.358 107.34 -188.402 107.339 -66.6146 -132.084 -188.401 -132.083 84.3666 GPRESSURE: 3245400 163.044 139.638 -175.432 100.004 -14.965 -152.116 -145.437 -72.1926 114.126 PRESSAVG: 3245400 47.5712 -12.0126 -9.73059 -12.0126 -42.9003 -3.94135 -9.73059 -3.94138 7.6022 GPRESSAVG: 3245400 48.2445 -12.1284 -9.91114 -11.9496 -42.7365 -4.6868 -10.1959 -2.47906 6.67889 TIMING: 3245400 CPU: 9699.33, 0.00298641/step Wall: 9699.33, 0.00298641/step, 1.45554 hours remaining, 206.968750 MB of memory in use. ENERGY: 3245400 765.4066 2073.1916 1931.8987 106.1434 -206499.4889 17957.9497 0.0000 0.0000 34307.9296 -149356.9693 299.6197 -183664.8990 -149266.3088 298.1173 53.7032 87.4018 556986.2805 4.0911 4.0623 PRESSURE: 3245600 151.485 -46.4521 9.36099 -46.452 -6.66627 -19.6843 9.36009 -19.6836 -67.1495 GPRESSURE: 3245600 137.757 -41.0954 -44.227 -45.1395 39.8171 -59.3921 -39.9769 39.1755 3.39501 PRESSAVG: 3245600 6.88699 -25.2908 -45.9151 -25.2909 66.2167 -8.25835 -45.915 -8.25833 -7.37882 GPRESSAVG: 3245600 6.95982 -24.7577 -44.8116 -25.1297 65.8738 -8.61812 -46.7091 -9.70997 -7.23287 TIMING: 3245600 CPU: 9699.93, 0.00299279/step Wall: 9699.93, 0.00299279/step, 1.45849 hours remaining, 206.968750 MB of memory in use. ENERGY: 3245600 713.9334 2066.2257 1923.1445 120.1232 -206467.5577 17949.6679 0.0000 0.0000 34334.9406 -149359.5222 299.8556 -183694.4628 -149256.2559 298.3383 25.8899 60.3231 556690.5332 21.9083 21.8669 PRESSURE: 3245800 -219.958 169.871 41.4491 169.871 241.129 11.904 41.4502 11.9034 157.408 GPRESSURE: 3245800 -142.727 161.173 21.9648 135.547 213.486 37.0351 30.3773 13.6306 203.994 PRESSAVG: 3245800 40.3146 -15.0377 40.07 -15.0378 -3.06269 -47.0283 40.07 -47.0284 -12.796 GPRESSAVG: 3245800 40.8299 -14.9304 40.1421 -15.7961 -3.3211 -44.378 40.4706 -48.6926 -12.8368 TIMING: 3245800 CPU: 9700.53, 0.00298136/step Wall: 9700.53, 0.00298136/step, 1.45275 hours remaining, 206.968750 MB of memory in use. ENERGY: 3245800 765.6035 2044.4433 1928.2526 116.1178 -206596.5171 18059.3406 0.0000 0.0000 34274.1423 -149408.6169 299.3246 -183682.7593 -149318.1511 298.7159 59.5262 91.5842 556439.7664 8.1520 8.2240 PRESSURE: 3246000 320.362 86.2153 100.568 86.2152 108.825 87.7443 100.57 87.7446 288.572 GPRESSURE: 3246000 344.721 97.5834 56.0669 18.6674 163.306 -7.64852 124.4 112.344 315.63 PRESSAVG: 3246000 39.1899 38.5444 3.0057 38.5444 66.9924 7.40507 3.00571 7.40491 -65.6242 GPRESSAVG: 3246000 38.7613 36.6563 2.54577 40.5094 66.9417 5.45869 2.85536 9.69762 -65.1721 TIMING: 3246000 CPU: 9701.12, 0.00298087/step Wall: 9701.12, 0.00298087/step, 1.45235 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: 3246000 708.3378 2080.4719 1916.4877 108.9015 -206633.4234 18170.7701 0.0000 0.0000 34261.3103 -149387.1440 299.2125 -183648.4543 -149284.4399 298.6165 239.2530 274.5524 556526.3834 13.5194 13.5103 PRESSURE: 3246200 249.363 -80.1766 207.484 -80.1762 266.029 45.5855 207.484 45.5858 65.6415 GPRESSURE: 3246200 274.156 -69.708 140.636 -15.3908 278.581 67.6746 183.283 42.5879 121.43 PRESSAVG: 3246200 -16.9344 24.4646 7.11511 24.4646 57.7513 19.0472 7.11517 19.0471 -46.2848 GPRESSAVG: 3246200 -17.9342 25.7764 4.86165 23.3836 58.766 18.7126 7.92003 18.7223 -46.4297 TIMING: 3246200 CPU: 9701.73, 0.00302611/step Wall: 9701.73, 0.00302611/step, 1.47422 hours remaining, 206.968750 MB of memory in use. ENERGY: 3246200 723.0562 2042.7313 1956.2709 112.6665 -206163.3116 17920.3577 0.0000 0.0000 34115.1661 -149293.0629 297.9362 -183408.2290 -149193.1712 299.2238 193.6779 224.7221 557245.7535 -1.8226 -1.8660 PRESSURE: 3246400 -47.5549 38.8589 48.8589 38.8585 73.9344 40.9346 48.8579 40.9353 -57.6409 GPRESSURE: 3246400 -22.3962 30.1734 53.9583 107.795 84.4125 50.4584 -10.2734 49.0504 2.19827 PRESSAVG: 3246400 -47.4301 36.5965 -44.2214 36.5964 39.4696 34.2932 -44.2215 34.2934 15.4031 GPRESSAVG: 3246400 -47.7055 36.5036 -43.424 36.9335 39.5507 34.5441 -43.2196 33.6111 15.3356 TIMING: 3246400 CPU: 9702.33, 0.00301824/step Wall: 9702.33, 0.00301824/step, 1.47022 hours remaining, 206.968750 MB of memory in use. ENERGY: 3246400 758.6182 2083.2117 1946.8171 120.4106 -206036.0750 17704.8877 0.0000 0.0000 34335.6992 -149086.4305 299.8622 -183422.1297 -148991.9808 299.0924 -10.4204 21.4049 557121.0623 2.4809 2.3936 PRESSURE: 3246600 -128.015 -71.5236 -153.243 -71.5248 -168.419 88.2414 -153.243 88.2432 -260.942 GPRESSURE: 3246600 -114.946 -37.358 -204.174 -57.8378 -149.703 152.259 -40.0346 82.7717 -205.131 PRESSAVG: 3246600 -10.7604 -19.2331 -34.9936 -19.2331 12.0389 41.0167 -34.9936 41.0166 -10.8305 GPRESSAVG: 3246600 -9.75625 -17.2601 -32.9978 -20.4166 11.7875 40.7706 -37.3763 39.8882 -11.4452 TIMING: 3246600 CPU: 9702.94, 0.00302619/step Wall: 9702.94, 0.00302619/step, 1.47392 hours remaining, 206.968750 MB of memory in use. ENERGY: 3246600 718.5321 2110.2554 1945.4563 118.3681 -205827.1123 17407.5530 0.0000 0.0000 34266.6176 -149260.3298 299.2589 -183526.9474 -149169.9761 299.4613 -185.7920 -156.5934 557198.9254 -3.1840 -3.1380 PRESSURE: 3246800 5.43752 69.4526 80.5586 69.4539 -149.783 20.9456 80.56 20.9479 -160.029 GPRESSURE: 3246800 40.0027 -2.02793 88.6612 14.2725 -139.867 -26.2279 41.353 -11.1213 -91.6769 PRESSAVG: 3246800 -2.96494 21.0918 24.6142 21.0918 -73.7168 -1.55457 24.6142 -1.55466 60.9514 GPRESSAVG: 3246800 -2.83839 19.1025 22.7561 21.7785 -73.9956 -2.52705 27.6503 2.01966 61.0159 TIMING: 3246800 CPU: 9703.54, 0.00303809/step Wall: 9703.54, 0.00303809/step, 1.47955 hours remaining, 206.968750 MB of memory in use. ENERGY: 3246800 730.4497 2100.4158 1975.2012 115.6670 -206123.2271 17573.7896 0.0000 0.0000 34193.8713 -149433.8324 298.6236 -183627.7037 -149340.9818 299.1404 -101.4584 -63.8470 556134.4616 -5.2435 -5.2727 PRESSURE: 3247000 -188.876 26.3474 -56.7245 26.3457 -19.104 55.8303 -56.7252 55.8304 -17.1122 GPRESSURE: 3247000 -130.015 -44.8721 9.87647 66.7242 -7.55176 76.2152 -99.9063 38.113 2.78419 PRESSAVG: 3247000 -85.2835 16.313 -15.9676 16.3131 33.4703 22.6175 -15.9677 22.6177 51.1498 GPRESSAVG: 3247000 -85.9674 13.9451 -15.4051 17.3495 34.9172 21.9432 -16.8993 21.8609 51.1878 TIMING: 3247000 CPU: 9704.16, 0.00305177/step Wall: 9704.16, 0.00305177/step, 1.48604 hours remaining, 206.968750 MB of memory in use. ENERGY: 3247000 736.8743 2110.1903 1961.8290 108.9478 -205827.9339 17604.8526 0.0000 0.0000 34002.1843 -149303.0557 296.9495 -183305.2400 -149210.1884 298.7084 -75.0307 -44.9274 557328.1981 -0.2211 0.0458 PRESSURE: 3247200 137.001 159.644 -51.4936 159.643 -235.85 0.173884 -51.4941 0.173415 -197.478 GPRESSURE: 3247200 113.016 129.264 -10.9664 101.45 -174.151 89.8992 -134.352 48.0352 -134.935 PRESSAVG: 3247200 -18.1107 24.6635 -24.5342 24.6635 25.3248 -14.5738 -24.5343 -14.5738 -8.7199 GPRESSAVG: 3247200 -19.5793 26.792 -24.6037 23.8487 26.1376 -12.3737 -26.4854 -15.7107 -8.43993 TIMING: 3247200 CPU: 9704.77, 0.00305053/step Wall: 9704.77, 0.00305053/step, 1.48527 hours remaining, 206.968750 MB of memory in use. ENERGY: 3247200 707.9354 2097.4105 1929.1534 122.2822 -206156.7249 17558.2340 0.0000 0.0000 34364.8341 -149376.8754 300.1166 -183741.7095 -149282.7977 299.0961 -98.7756 -65.3567 556836.9271 -0.5019 -0.6272 PRESSURE: 3247400 -131.094 -16.9187 164.005 -16.9188 -65.3005 79.0504 164.006 79.0497 -168.194 GPRESSURE: 3247400 -144.371 23.2156 199.085 20.2789 -4.3414 -29.391 176.985 72.6916 -109.154 PRESSAVG: 3247400 31.4121 27.4959 4.2382 27.496 7.94345 0.289956 4.23818 0.289979 -15.0578 GPRESSAVG: 3247400 32.2219 27.4545 4.83205 28.591 6.67389 -1.20899 4.84842 1.69104 -14.5662 TIMING: 3247400 CPU: 9705.37, 0.0030357/step Wall: 9705.37, 0.0030357/step, 1.47788 hours remaining, 206.968750 MB of memory in use. ENERGY: 3247400 759.7399 2097.7220 1971.6882 113.9128 -206132.6832 17494.0641 0.0000 0.0000 34454.1104 -149241.4459 300.8963 -183695.5563 -149147.1763 299.6522 -121.5294 -85.9553 555203.9356 8.0992 8.1099 PRESSURE: 3247600 -335.177 67.1265 -4.66657 67.1259 -159.85 212.205 -4.66605 212.206 139.133 GPRESSURE: 3247600 -313.3 -28.5113 -34.7047 80.8883 -109.283 233.477 70.3515 217.371 173.053 PRESSAVG: 3247600 -96.2218 -29.4453 0.801462 -29.4452 39.0007 -37.4785 0.801473 -37.4786 29.8732 GPRESSAVG: 3247600 -94.3416 -30.2033 0.332567 -29.6681 38.1464 -36.8464 1.79267 -38.5898 29.1859 TIMING: 3247600 CPU: 9705.98, 0.00301592/step Wall: 9705.98, 0.00301592/step, 1.46808 hours remaining, 206.968750 MB of memory in use. ENERGY: 3247600 752.4812 2130.3310 1984.7732 96.6891 -205748.1648 17315.4981 0.0000 0.0000 34373.5925 -149094.7995 300.1931 -183468.3921 -149000.4217 299.6734 -118.6313 -83.1765 556502.2714 -9.1160 -9.0031 PRESSURE: 3247800 -63.7327 -151.426 47.3473 -151.426 68.7255 60.5855 47.3469 60.587 -209.658 GPRESSURE: 3247800 -89.3868 -223.281 37.3027 -102.861 161.367 45.3512 -12.9604 18.7321 -182.022 PRESSAVG: 3247800 -25.6211 19.5674 95.7681 19.5673 53.5222 -7.92757 95.7681 -7.9277 -22.1616 GPRESSAVG: 3247800 -27.3879 20.4917 96.1812 18.4572 54.6213 -7.74478 96.3697 -9.21806 -21.8584 TIMING: 3247800 CPU: 9706.58, 0.00301817/step Wall: 9706.58, 0.00301817/step, 1.46901 hours remaining, 206.968750 MB of memory in use. ENERGY: 3247800 744.0510 2133.5877 1978.5803 123.6894 -206184.4085 17759.4644 0.0000 0.0000 34299.1934 -149145.8422 299.5434 -183445.0356 -149055.4669 299.7418 -68.2217 -36.6805 557670.1402 1.9131 1.7916 PRESSURE: 3248000 24.1857 -38.5947 -164.377 -38.5953 50.6106 111.669 -164.377 111.669 -70.7662 GPRESSURE: 3248000 83.1302 -81.3673 -93.0816 -68.9029 89.408 60.3375 -111.946 184.516 -59.5915 PRESSAVG: 3248000 5.99415 -45.0028 28.45 -45.0029 39.0814 43.0901 28.45 43.0902 -12.2478 GPRESSAVG: 3248000 7.33805 -47.4767 29.5289 -45.0297 38.3832 40.1896 27.1097 42.9758 -13.1255 TIMING: 3248000 CPU: 9707.18, 0.00298486/step Wall: 9707.18, 0.00298486/step, 1.45263 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: 3248000 680.1325 2191.5098 1967.0836 106.9328 -206170.4928 17698.6382 0.0000 0.0000 34208.9805 -149317.2154 298.7555 -183526.1958 -149216.3925 298.8523 1.3434 37.6489 557047.0733 10.9426 10.8653 PRESSURE: 3248200 -243.825 -20.277 154.186 -20.2782 -70.2309 90.1861 154.186 90.1856 -39.1373 GPRESSURE: 3248200 -199.739 -27.6784 114.753 8.74917 -46.1217 122.576 122.124 84.9222 -15.7437 PRESSAVG: 3248200 6.88124 -31.4133 53.3053 -31.4133 -25.2578 -30.9349 53.3053 -30.9349 20.4471 GPRESSAVG: 3248200 7.31126 -33.1487 52.5331 -30.5562 -26.0145 -30.3102 52.3021 -29.431 21.2155 TIMING: 3248200 CPU: 9707.78, 0.0030035/step Wall: 9707.78, 0.0030035/step, 1.46154 hours remaining, 206.968750 MB of memory in use. ENERGY: 3248200 709.1524 2091.9078 1963.3794 118.0261 -205972.0331 17543.4294 0.0000 0.0000 34139.9556 -149406.1825 298.1527 -183546.1381 -149296.9834 299.1303 -117.7311 -87.2014 557617.7543 0.6902 0.8374 LDB: ============= START OF LOAD BALANCING ============== 9711.21 LDB: ============== END OF LOAD BALANCING =============== 9711.21 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9711.21 LDB: ============= START OF LOAD BALANCING ============== 9711.51 LDB: Largest compute 4819 load 0.028343 is 24.0% of average load 0.118048 LDB: Average compute 0.001748 is 1.5% of average load 0.118048 LDB: TIME 9711.51 LOAD: AVG 0.118048 MAX 0.20977 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.348 MB LDB: TIME 9711.51 LOAD: AVG 0.118048 MAX 0.20977 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.348 MB LDB: TIME 9711.51 LOAD: AVG 0.118048 MAX 0.20977 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.348 MB LDB: ============== END OF LOAD BALANCING =============== 9711.52 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9711.52 PRESSURE: 3248400 -174.209 -223.355 -127.607 -223.354 -104.869 1.52629 -127.607 1.52678 -61.9971 GPRESSURE: 3248400 -143.45 -211.74 -191.898 -196.337 -119.5 34.0608 -124.05 -29.941 24.1174 PRESSAVG: 3248400 16.402 -35.0771 9.71681 -35.077 33.0744 55.9132 9.71677 55.9133 -30.2076 GPRESSAVG: 3248400 16.0332 -30.3177 10.71 -37.6934 33.6852 57.8989 9.34508 54.834 -30.2509 TIMING: 3248400 CPU: 9708.39, 0.003072/step Wall: 9708.39, 0.003072/step, 1.4947 hours remaining, 206.179688 MB of memory in use. ENERGY: 3248400 772.1226 2128.7071 1929.0978 105.3807 -206513.4223 17926.8372 0.0000 0.0000 34238.7851 -149412.4919 299.0158 -183651.2770 -149315.3459 299.3699 -113.6917 -79.6112 556746.3394 6.4229 6.4892 PRESSURE: 3248600 302.342 -17.3882 -191.841 -17.3878 132.265 23.3944 -191.841 23.3948 165.167 GPRESSURE: 3248600 343.022 1.03793 -236.125 -19.7384 120.372 79.2201 -229.707 15.7849 212.615 PRESSAVG: 3248600 -10.1855 -15.8139 -22.014 -15.8139 47.948 -12.9344 -22.014 -12.9344 -21.9803 GPRESSAVG: 3248600 -9.84096 -17.2469 -25.7477 -14.1377 47.7442 -13.6879 -17.3689 -13.4705 -21.8813 TIMING: 3248600 CPU: 9708.99, 0.00299784/step Wall: 9708.99, 0.00299784/step, 1.45845 hours remaining, 206.421875 MB of memory in use. ENERGY: 3248600 741.2155 2108.0107 1951.4039 103.0276 -206763.9522 18108.1225 0.0000 0.0000 34286.2840 -149465.8880 299.4306 -183752.1721 -149373.7969 299.3809 199.9246 225.3367 554141.5825 5.2607 5.3407 PRESSURE: 3248800 -1.44227 81.0275 -101.499 81.0278 -101.638 -40.3531 -101.499 -40.3531 -151.808 GPRESSURE: 3248800 6.45684 195.46 -88.4738 83.7312 -90.453 -36.7873 -69.1696 -27.2005 -89.0113 PRESSAVG: 3248800 0.94883 8.40105 -44.596 8.40113 -46.8888 57.2593 -44.596 57.2593 29.9735 GPRESSAVG: 3248800 -0.79498 8.97016 -40.9933 6.68315 -45.7094 58.1658 -48.1582 57.8419 30.2593 TIMING: 3248800 CPU: 9709.59, 0.00299088/step Wall: 9709.59, 0.00299088/step, 1.4549 hours remaining, 206.421875 MB of memory in use. ENERGY: 3248800 706.6539 2107.9490 1951.8958 126.2145 -205968.6475 17580.7744 0.0000 0.0000 33922.6756 -149572.4842 296.2552 -183495.1598 -149474.3349 298.0279 -84.9627 -57.6692 558253.9062 -5.3222 -5.4150 PRESSURE: 3249000 -4.48371 -220.432 -17.3221 -220.432 -100.554 -123.725 -17.3219 -123.727 -84.9487 GPRESSURE: 3249000 22.0205 -233.368 -84.8467 -100.308 -34.3989 -173.542 34.8282 -50.9045 -86.4433 PRESSAVG: 3249000 4.92217 -58.8932 -16.5369 -58.8933 12.1829 -10.7777 -16.537 -10.7777 -29.5144 GPRESSAVG: 3249000 4.86341 -59.58 -18.1218 -57.3589 12.7255 -13.4443 -13.4443 -9.50558 -29.0742 TIMING: 3249000 CPU: 9710.19, 0.00302425/step Wall: 9710.19, 0.00302425/step, 1.47096 hours remaining, 206.421875 MB of memory in use. ENERGY: 3249000 753.2744 2069.5013 1944.7021 116.1949 -206310.3648 17584.1494 0.0000 0.0000 34381.1297 -149461.4130 300.2590 -183842.5427 -149360.7720 297.8696 -63.3289 -32.9406 557610.2052 -4.1364 -3.8284 PRESSURE: 3249200 -49.3302 -60.7918 -91.3661 -60.7911 215.511 216.512 -91.3666 216.513 -12.7768 GPRESSURE: 3249200 1.88417 58.3253 -124.377 -81.2295 218.505 139.472 -122.366 140.704 14.8088 PRESSAVG: 3249200 -41.4483 -9.09797 -20.9768 -9.09796 14.8149 -22.1813 -20.9768 -22.1814 -4.3267 GPRESSAVG: 3249200 -40.5385 -7.34908 -19.8705 -10.4332 14.8472 -21.2274 -23.1744 -23.4949 -5.29756 TIMING: 3249200 CPU: 9710.8, 0.00302066/step Wall: 9710.8, 0.00302066/step, 1.46905 hours remaining, 206.421875 MB of memory in use. ENERGY: 3249200 729.0002 2073.9044 1945.5096 109.6304 -206387.8921 18047.8954 0.0000 0.0000 34209.5931 -149272.3589 298.7609 -183481.9520 -149172.0768 298.7237 51.1346 78.3995 557176.6569 -10.3200 -10.3296 PRESSURE: 3249400 14.9578 -41.4516 8.1692 -41.4506 -197.727 168.87 8.16831 168.869 -371.476 GPRESSURE: 3249400 5.14726 -34.0524 -17.212 9.03064 -120.94 118.354 61.5658 178.61 -333.2 PRESSAVG: 3249400 -3.89737 -57.1871 -0.22302 -57.1871 32.0375 25.9276 -0.223043 25.9276 -10.9462 GPRESSAVG: 3249400 -3.47242 -57.5714 -0.173061 -57.9747 31.8912 25.1319 0.612693 27.5682 -11.0589 TIMING: 3249400 CPU: 9711.4, 0.00303336/step Wall: 9711.4, 0.00303336/step, 1.47505 hours remaining, 206.421875 MB of memory in use. ENERGY: 3249400 726.7579 2174.0298 1952.9194 105.8034 -206092.9447 17568.9198 0.0000 0.0000 34278.9582 -149285.5562 299.3667 -183564.5145 -149188.1449 298.8777 -184.7483 -149.6641 558819.6919 5.7313 5.7866 PRESSURE: 3249600 -131.579 153.119 -113.89 153.12 109.576 -25.4029 -113.89 -25.402 10.4904 GPRESSURE: 3249600 -22.1451 165.261 -68.6128 104.674 133.155 38.3523 -183.116 -95.176 -24.9687 PRESSAVG: 3249600 -28.0189 -17.8751 -3.09703 -17.8751 40.5445 -54.2571 -3.09706 -54.2571 -12.0292 GPRESSAVG: 3249600 -28.2835 -19.9976 -4.15755 -15.5371 41.039 -52.475 -2.17829 -54.4641 -11.6875 TIMING: 3249600 CPU: 9712.01, 0.00302196/step Wall: 9712.01, 0.00302196/step, 1.46934 hours remaining, 206.421875 MB of memory in use. ENERGY: 3249600 755.2992 2081.0071 1940.9312 106.9846 -206145.4821 17809.3689 0.0000 0.0000 34122.4457 -149329.4454 297.9998 -183451.8911 -149225.5013 299.4159 -3.8374 28.6805 557598.9022 0.1655 0.3560 PRESSURE: 3249800 -244.152 70.4027 44.7624 70.402 83.2536 -27.8563 44.7632 -27.8569 -15.4975 GPRESSURE: 3249800 -226.581 106.853 70.6016 58.2799 119.117 -68.2075 -31.3507 -9.07379 27.8579 PRESSAVG: 3249800 -21.6064 58.7532 8.66852 58.7531 -10.8464 -15.3964 8.66844 -15.3963 -15.6101 GPRESSAVG: 3249800 -21.2296 59.1465 10.9265 58.4566 -11.5069 -16.1641 6.50247 -14.8265 -14.9059 TIMING: 3249800 CPU: 9712.61, 0.00302601/step Wall: 9712.61, 0.00302601/step, 1.47115 hours remaining, 206.421875 MB of memory in use. ENERGY: 3249800 752.1351 2142.5076 1945.2650 108.8007 -206131.6573 17659.2482 0.0000 0.0000 34189.7982 -149333.9024 298.5880 -183523.7006 -149243.6884 299.3993 -58.7986 -26.5353 555518.4419 -16.0210 -15.8808 PRESSURE: 3250000 61.8501 10.4292 134.32 10.4298 -62.9876 121.894 134.319 121.895 -211.26 GPRESSURE: 3250000 117.334 -73.2071 -21.0499 51.2441 -58.4353 139.583 231.271 128.681 -163.945 PRESSAVG: 3250000 -43.6395 22.4825 5.54791 22.4826 5.54408 -4.79029 5.54794 -4.7903 15.0723 GPRESSAVG: 3250000 -44.3226 22.3634 6.42721 23.5916 5.09878 -2.84977 6.27155 -6.22247 15.7422 TIMING: 3250000 CPU: 9713.22, 0.00302288/step Wall: 9713.22, 0.00302288/step, 1.46946 hours remaining, 206.421875 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: 3250000 718.0456 2123.4240 1956.2329 139.9339 -206553.5415 17825.6205 0.0000 0.0000 34401.6070 -149388.6777 300.4378 -183790.2846 -149296.8528 299.2619 -70.7993 -35.0154 557030.1263 -7.6744 -7.8272 PRESSURE: 3250200 83.1079 -7.99446 -61.7027 -7.99304 -169.561 -35.0843 -61.7019 -35.0849 -144.45 GPRESSURE: 3250200 141.47 -69.5833 -91.123 31.8434 -81.3187 -11.9652 -40.9552 -124.555 -197.091 PRESSAVG: 3250200 34.1731 48.9658 -0.570519 48.9658 35.3053 7.68361 -0.570559 7.68358 -60.7636 GPRESSAVG: 3250200 34.428 49.4781 -2.31604 46.9113 35.2269 8.42886 0.873727 6.18935 -61.0143 TIMING: 3250200 CPU: 9713.81, 0.00297487/step Wall: 9713.81, 0.00297487/step, 1.44595 hours remaining, 206.421875 MB of memory in use. ENERGY: 3250200 742.0171 2061.1716 1942.1802 121.7285 -206264.0782 17746.8000 0.0000 0.0000 34281.5989 -149368.5819 299.3897 -183650.1808 -149271.7484 299.3827 -76.9679 -45.6466 557050.9255 2.9050 2.8802 PRESSURE: 3250400 366.516 233.741 115.503 233.74 3.51844 151.853 115.503 151.852 28.357 GPRESSURE: 3250400 396.274 237.797 104.097 186.861 2.33943 182.332 137.937 151.207 92.934 PRESSAVG: 3250400 23.1526 44.6877 10.3012 44.6877 4.73424 39.2546 10.3012 39.2546 -17.9049 GPRESSAVG: 3250400 22.8913 44.3897 9.97058 44.6611 5.20305 39.0338 9.07241 41.5832 -17.9833 TIMING: 3250400 CPU: 9714.42, 0.00302707/step Wall: 9714.42, 0.00302707/step, 1.47116 hours remaining, 206.421875 MB of memory in use. ENERGY: 3250400 738.4060 2155.4343 1909.2822 117.5901 -206336.5950 17989.8913 0.0000 0.0000 34290.4182 -149135.5729 299.4668 -183425.9911 -149038.4277 299.3514 132.7971 163.8492 556798.7479 3.3273 3.3704 PRESSURE: 3250600 125.004 21.7872 101.633 21.7873 238.359 -94.1756 101.632 -94.1763 62.2561 GPRESSURE: 3250600 158.033 -26.3654 167.452 35.094 271.888 -172.198 95.8296 61.3724 95.1749 PRESSAVG: 3250600 13.3224 -40.274 26.9023 -40.274 67.8318 -48.5411 26.9024 -48.5411 -60.2975 GPRESSAVG: 3250600 14.2104 -38.0248 27.3959 -39.6621 66.2561 -51.3756 27.391 -48.0781 -59.9602 TIMING: 3250600 CPU: 9715.03, 0.00303338/step Wall: 9715.03, 0.00303338/step, 1.47406 hours remaining, 206.421875 MB of memory in use. ENERGY: 3250600 785.1104 2125.0233 1914.5662 115.0292 -206320.8580 17899.9251 0.0000 0.0000 34613.7039 -148867.4998 302.2901 -183481.2038 -148770.8463 300.0502 141.8730 175.0320 555885.0524 6.9522 6.8354 PRESSURE: 3250800 -61.5707 102.707 2.31705 102.707 -27.2093 -30.1644 2.31714 -30.1643 -406.742 GPRESSURE: 3250800 -76.0828 116.093 -41.354 78.5636 20.7995 40.5656 85.4032 19.8648 -323.986 PRESSAVG: 3250800 8.41845 -20.3393 38.7392 -20.3394 48.1183 -18.6153 38.7393 -18.6152 -47.271 GPRESSAVG: 3250800 7.67247 -20.8081 39.1474 -21.0614 48.0116 -17.4645 38.8091 -17.9617 -46.3905 TIMING: 3250800 CPU: 9715.62, 0.00299425/step Wall: 9715.62, 0.00299425/step, 1.45487 hours remaining, 206.421875 MB of memory in use. ENERGY: 3250800 776.2464 2090.3370 1943.2596 115.3637 -205834.6688 17617.5178 0.0000 0.0000 34527.8082 -148764.1360 301.5399 -183291.9443 -148657.9723 300.9878 -165.1739 -126.4230 558401.1250 3.0886 3.0979 PRESSURE: 3251000 -277.184 -52.2244 21.6777 -52.2257 -23.7395 -17.3307 21.6771 -17.3322 -112.447 GPRESSURE: 3251000 -260.879 -5.79564 5.91328 -125.788 15.7495 13.8972 -40.6123 -1.27539 -76.0213 PRESSAVG: 3251000 -14.4499 -11.0253 33.9738 -11.0254 55.5649 -35.7651 33.9737 -35.7652 -25.9316 GPRESSAVG: 3251000 -15.3738 -11.827 34.2551 -10.5457 56.9447 -35.2741 32.0338 -38.0832 -27.1166 TIMING: 3251000 CPU: 9716.23, 0.00300919/step Wall: 9716.23, 0.00300919/step, 1.46197 hours remaining, 206.421875 MB of memory in use. ENERGY: 3251000 742.1061 2179.1175 1962.6688 104.1327 -205748.6964 17600.9362 0.0000 0.0000 34483.8426 -148675.8926 301.1560 -183159.7352 -148576.1536 300.8778 -137.7901 -107.0504 557485.7453 5.0611 4.8181 PRESSURE: 3251200 -389.557 -180.888 -84.2287 -180.888 -83.9252 6.55526 -84.2274 6.55478 -282.673 GPRESSURE: 3251200 -313.132 -203.985 -141.022 -166.264 -58.8075 -2.80571 -136.528 34.8941 -268.847 PRESSAVG: 3251200 -102.46 -30.2691 -24.4457 -30.2691 142.225 -30.3964 -24.4456 -30.3964 -45.3836 GPRESSAVG: 3251200 -100.415 -29.9289 -23.8176 -29.7871 140.512 -30.4952 -24.5572 -28.9577 -45.8782 TIMING: 3251200 CPU: 9716.83, 0.00302381/step Wall: 9716.83, 0.00302381/step, 1.4689 hours remaining, 206.421875 MB of memory in use. ENERGY: 3251200 818.8805 2098.8863 1940.3813 118.9290 -205306.7444 17344.3128 0.0000 0.0000 34281.1540 -148704.2005 299.3858 -182985.3545 -148600.2848 301.3534 -252.0517 -213.5955 558334.4327 -1.8728 -1.9270 PRESSURE: 3251400 169.037 -22.4628 -69.5981 -22.4623 -75.8406 -54.7183 -69.599 -54.7189 -35.3691 GPRESSURE: 3251400 220.009 26.5574 -64.3978 -53.6892 -35.896 -64.1483 -95.4907 -43.3197 -31.2081 PRESSAVG: 3251400 21.119 -22.2396 -29.7191 -22.2396 2.35886 -24.0847 -29.7191 -24.0849 -40.3118 GPRESSAVG: 3251400 21.3484 -22.4177 -28.674 -23.8208 3.70035 -24.3046 -28.0664 -24.4731 -41.9408 TIMING: 3251400 CPU: 9717.44, 0.00303247/step Wall: 9717.44, 0.00303247/step, 1.47294 hours remaining, 206.546875 MB of memory in use. ENERGY: 3251400 789.4787 2115.5593 1964.4616 111.9296 -205670.8720 17673.3101 0.0000 0.0000 34292.4534 -148723.6793 299.4845 -183016.1327 -148623.2034 300.6971 19.2759 50.9683 557319.8071 -5.6113 -5.6307 PRESSURE: 3251600 39.0307 123.191 81.7897 123.192 57.1252 -85.5264 81.7899 -85.5262 -104.12 GPRESSURE: 3251600 76.9311 145.233 91.3854 87.3256 99.87 -105.722 62.552 -7.40268 -101.143 PRESSAVG: 3251600 15.3049 23.5023 15.6988 23.5023 37.721 -49.8466 15.6988 -49.8467 -64.5909 GPRESSAVG: 3251600 14.0368 24.7865 14.6847 23.0023 37.4922 -47.2213 13.7471 -51.7714 -62.9623 TIMING: 3251600 CPU: 9718.05, 0.00304803/step Wall: 9718.05, 0.00304803/step, 1.48033 hours remaining, 206.546875 MB of memory in use. ENERGY: 3251600 777.9562 2153.6228 1947.6533 113.6549 -206129.4279 17770.4591 0.0000 0.0000 34556.2099 -148809.8716 301.7880 -183366.0815 -148704.1908 300.3528 -2.6547 25.2192 556336.9469 -3.8550 -3.8111 PRESSURE: 3251800 220.925 -103.442 11.3374 -103.442 85.7212 -50.8122 11.3371 -50.8127 29.3705 GPRESSURE: 3251800 282.855 -74.4967 31.0932 -135.303 83.1605 -0.585812 -8.26604 -78.199 72.8703 PRESSAVG: 3251800 42.6694 -1.92598 -17.8102 -1.92603 -7.68058 -11.5595 -17.8102 -11.5596 -43.2842 GPRESSAVG: 3251800 44.383 -3.30092 -16.3714 -1.28017 -7.70243 -12.1619 -17.8431 -12.3382 -44.2574 TIMING: 3251800 CPU: 9718.65, 0.00303423/step Wall: 9718.65, 0.00303423/step, 1.47345 hours remaining, 206.546875 MB of memory in use. ENERGY: 3251800 764.5664 2096.8006 1959.5542 110.7765 -206311.2646 17889.8265 0.0000 0.0000 34556.0400 -148933.7005 301.7865 -183489.7405 -148836.2820 300.7750 112.0054 146.2954 556241.7584 -2.7651 -2.5256 PRESSURE: 3252000 16.0508 60.9441 144.215 60.9446 -148.207 -114.569 144.215 -114.569 141.703 GPRESSURE: 3252000 111.06 91.9196 205.249 22.7571 -137.491 -121.486 73.8155 -93.6163 140.213 PRESSAVG: 3252000 24.7577 -53.2751 -7.76576 -53.2752 -32.4429 20.9817 -7.76575 20.9817 33.9025 GPRESSAVG: 3252000 24.7206 -53.7616 -9.69058 -53.6012 -33.2773 18.3653 -6.41026 22.2998 35.0947 TIMING: 3252000 CPU: 9719.26, 0.00301344/step Wall: 9719.26, 0.00301344/step, 1.46319 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: 3252000 740.7204 2067.7474 1931.7416 122.2189 -205813.1924 17567.8935 0.0000 0.0000 34269.1454 -149113.7252 299.2810 -183382.8705 -149016.3680 300.2011 3.1825 37.9273 557031.8562 8.7391 8.8460 PRESSURE: 3252200 155.856 54.7122 -50.1501 54.7135 33.3537 -30.537 -50.1502 -30.5369 262.519 GPRESSURE: 3252200 254.68 -69.7226 -66.5308 62.9836 35.3598 74.8738 9.05356 -62.8234 253.398 PRESSAVG: 3252200 -44.6054 -52.9274 -14.6808 -52.9274 -21.8929 -12.1284 -14.6808 -12.1284 72.1139 GPRESSAVG: 3252200 -44.7131 -52.558 -14.3056 -52.046 -22.045 -11.5914 -15.1197 -10.2993 72.6354 TIMING: 3252200 CPU: 9719.86, 0.00300874/step Wall: 9719.86, 0.00300874/step, 1.46074 hours remaining, 206.750000 MB of memory in use. ENERGY: 3252200 738.4928 2119.2385 1965.1254 119.5700 -206120.7096 17753.3480 0.0000 0.0000 34290.9520 -149133.9829 299.4714 -183424.9349 -149035.4482 300.1648 150.5763 181.1458 554636.5616 1.8719 1.9591 LDB: ============= START OF LOAD BALANCING ============== 9723.29 LDB: ============== END OF LOAD BALANCING =============== 9723.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9723.29 LDB: ============= START OF LOAD BALANCING ============== 9723.59 LDB: Largest compute 4819 load 0.028507 is 24.1% of average load 0.118090 LDB: Average compute 0.001744 is 1.5% of average load 0.118090 LDB: TIME 9723.6 LOAD: AVG 0.11809 MAX 0.213119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.438 MB LDB: TIME 9723.6 LOAD: AVG 0.11809 MAX 0.213119 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: TIME 9723.6 LOAD: AVG 0.11809 MAX 0.213119 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.641 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9723.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9723.6 PRESSURE: 3252400 -155.884 70.1765 28.5897 70.1758 -130.788 120.061 28.5892 120.063 -346.525 GPRESSURE: 3252400 -165.231 85.0023 -8.43027 52.7308 -76.7231 89.9726 85.2567 124.812 -312.514 PRESSAVG: 3252400 46.0643 -29.0963 24.2577 -29.0963 -38.0314 57.3333 24.2577 57.3333 23.4218 GPRESSAVG: 3252400 44.9876 -30.0612 24.277 -29.2174 -36.9671 57.782 25.4043 56.3085 23.0433 TIMING: 3252400 CPU: 9720.47, 0.00307437/step Wall: 9720.47, 0.00307437/step, 1.49243 hours remaining, 205.929688 MB of memory in use. ENERGY: 3252400 788.4237 2096.7251 1951.6483 106.7065 -206172.2068 17731.3860 0.0000 0.0000 34370.5606 -149126.7566 300.1667 -183497.3172 -149030.4501 299.8032 -211.0657 -184.8228 558653.2269 10.4849 10.3546 PRESSURE: 3252600 -129.239 66.2251 -171.493 66.2245 -204.723 103.519 -171.494 103.519 -273.756 GPRESSURE: 3252600 -141.092 80.689 -75.1667 -13.4934 -152.659 90.0834 -285.97 167.778 -202.469 PRESSAVG: 3252600 -19.7837 -27.2599 18.6433 -27.26 88.2639 14.4925 18.6432 14.4925 -49.5411 GPRESSAVG: 3252600 -19.7145 -24.9821 18.6801 -28.2596 88.9897 14.2103 16.5593 14.6131 -49.7267 TIMING: 3252600 CPU: 9721.08, 0.00304914/step Wall: 9721.08, 0.00304914/step, 1.48002 hours remaining, 205.929688 MB of memory in use. ENERGY: 3252600 789.8663 2106.4962 1930.3549 123.8013 -206107.9928 17630.2862 0.0000 0.0000 34233.7781 -149293.4098 298.9721 -183527.1879 -149194.4672 299.1316 -202.5724 -165.4066 558790.0284 6.3131 6.5162 PRESSURE: 3252800 212.046 -31.786 80.0585 -31.7873 3.21963 96.0561 80.059 96.0557 245.965 GPRESSURE: 3252800 226.81 13.8108 81.6309 -81.2424 67.1941 26.7515 32.1651 143.504 255.6 PRESSAVG: 3252800 -39.2698 14.1494 -24.1102 14.1494 17.2939 9.07431 -24.1102 9.07431 32.9808 GPRESSAVG: 3252800 -39.0891 14.1462 -22.417 15.1147 17.4857 11.1754 -24.0541 9.27612 32.5955 TIMING: 3252800 CPU: 9721.69, 0.00304071/step Wall: 9721.69, 0.00304071/step, 1.47576 hours remaining, 205.929688 MB of memory in use. ENERGY: 3252800 773.3548 2095.1878 1977.1991 114.0336 -206675.4747 18170.2149 0.0000 0.0000 34293.6917 -149251.7929 299.4953 -183545.4846 -149149.2075 299.9214 153.7437 183.2012 557487.3043 3.6683 3.6640 PRESSURE: 3253000 47.0288 -146.359 130.504 -146.358 -56.985 6.96906 130.504 6.97013 -272.123 GPRESSURE: 3253000 52.4969 -101.701 127.91 -141.202 31.3265 46.5762 63.8302 20.2804 -258.517 PRESSAVG: 3253000 -21.3204 -34.6339 18.4461 -34.6338 43.1239 25.4763 18.4461 25.4763 -37.3386 GPRESSAVG: 3253000 -22.6389 -35.8627 17.8616 -34.1464 44.037 24.3487 18.2238 26.1263 -36.9335 TIMING: 3253000 CPU: 9722.3, 0.00302446/step Wall: 9722.3, 0.00302446/step, 1.4677 hours remaining, 205.929688 MB of memory in use. ENERGY: 3253000 751.1057 2053.7115 1960.6848 112.8526 -206406.9606 17841.5629 0.0000 0.0000 34368.3835 -149318.6596 300.1476 -183687.0431 -149223.6950 298.7842 -94.0263 -58.2312 558863.7727 -5.1784 -5.1785 PRESSURE: 3253200 101.566 125.933 -88.5216 125.933 -14.8977 106.679 -88.5224 106.68 122.512 GPRESSURE: 3253200 101.188 121.6 -53.6909 110.447 63.0404 101.507 -9.71648 122.533 132.546 PRESSAVG: 3253200 -13.6584 42.6912 -22.9021 42.6912 84.0626 -22.6181 -22.9022 -22.6182 -13.4978 GPRESSAVG: 3253200 -13.1727 44.543 -23.8508 40.6219 83.6467 -22.79 -20.9856 -25.5475 -13.6371 TIMING: 3253200 CPU: 9722.9, 0.00302281/step Wall: 9722.9, 0.00302281/step, 1.46673 hours remaining, 205.929688 MB of memory in use. ENERGY: 3253200 695.7478 2103.9252 1953.8286 121.8226 -206555.9988 17939.4301 0.0000 0.0000 34398.1454 -149343.0990 300.4076 -183741.2444 -149246.5250 299.2626 69.7266 98.9249 558196.1130 18.9688 18.9456 PRESSURE: 3253400 -289.138 -3.86302 -11.727 -3.8622 181.465 -35.6787 -11.7281 -35.679 293.49 GPRESSURE: 3253400 -221.75 11.0293 52.8355 -17.2934 148.55 -26.16 -1.18108 -51.0504 353.707 PRESSAVG: 3253400 3.56103 26.4969 38.8033 26.4969 -35.1487 32.056 38.8032 32.056 30.6789 GPRESSAVG: 3253400 4.16182 23.8506 40.4019 28.8702 -36.0521 32.9541 38.2109 32.8713 30.6504 TIMING: 3253400 CPU: 9723.51, 0.00304614/step Wall: 9723.51, 0.00304614/step, 1.47789 hours remaining, 205.929688 MB of memory in use. ENERGY: 3253400 739.9814 2063.4642 1962.2314 120.1872 -206364.4628 17854.8494 0.0000 0.0000 34373.0833 -149250.6660 300.1887 -183623.7493 -149154.8068 299.2799 61.9390 93.5024 557421.9875 -0.3029 -0.4133 PRESSURE: 3253600 190.983 184.803 97.7845 184.804 2.02554 205.529 97.784 205.528 0.728034 GPRESSURE: 3253600 220.978 296.178 58.638 81.8184 19.3253 194.032 153.774 211.411 48.7003 PRESSAVG: 3253600 -3.38835 15.1477 -30.9995 15.1476 -29.8337 -0.283888 -30.9995 -0.283927 32.9248 GPRESSAVG: 3253600 -3.21695 14.8831 -32.6159 13.757 -30.2556 -0.933583 -28.9311 0.949665 32.7445 TIMING: 3253600 CPU: 9724.11, 0.00301086/step Wall: 9724.11, 0.00301086/step, 1.4606 hours remaining, 205.929688 MB of memory in use. ENERGY: 3253600 753.7655 2125.7391 1960.6941 120.7503 -206219.8757 17827.0746 0.0000 0.0000 34270.2920 -149161.5601 299.2910 -183431.8521 -149073.9294 299.5047 64.5787 96.3346 557796.9418 -0.0991 -0.2427 PRESSURE: 3253800 73.186 132.766 112.386 132.765 -140.28 -15.0936 112.387 -15.0937 -281.174 GPRESSURE: 3253800 81.371 27.0546 168.884 200.66 -62.3297 -134.972 76.9041 106.466 -276.882 PRESSAVG: 3253800 101.053 9.11085 56.2387 9.11088 -44.1012 -9.18254 56.2387 -9.18253 -66.6408 GPRESSAVG: 3253800 101.272 10.208 56.4575 8.48422 -43.9733 -8.39582 54.2281 -11.8167 -67.6808 TIMING: 3253800 CPU: 9724.72, 0.0030269/step Wall: 9724.72, 0.0030269/step, 1.46822 hours remaining, 205.929688 MB of memory in use. ENERGY: 3253800 717.8951 2130.2254 1931.3313 105.8735 -206066.2627 17521.0570 0.0000 0.0000 34257.1204 -149402.7599 299.1760 -183659.8803 -149306.9937 299.7623 -116.0891 -85.9470 557075.0564 -3.2296 -3.4606 PRESSURE: 3254000 -23.0689 -73.9036 -45.5216 -73.9042 151.984 27.278 -45.5215 27.2774 294.566 GPRESSURE: 3254000 22.9103 -21.7252 16.1533 -149.752 190.435 8.67518 -3.83361 -51.7162 300.469 PRESSAVG: 3254000 -15.3115 0.190217 8.4286 0.190312 -40.8096 69.7728 8.42854 69.7728 49.1588 GPRESSAVG: 3254000 -16.385 -0.0130841 9.71761 -1.17015 -40.564 67.5158 7.23348 72.2493 49.7936 TIMING: 3254000 CPU: 9725.32, 0.00302281/step Wall: 9725.32, 0.00302281/step, 1.46606 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: 3254000 750.1099 2102.7849 1938.3980 106.2571 -206419.0251 17956.7673 0.0000 0.0000 34157.3010 -149407.4070 298.3042 -183564.7080 -149320.7114 299.2703 141.1605 171.2717 557299.0052 -2.3208 -2.3851 PRESSURE: 3254200 354.337 -267.92 -108.628 -267.92 236.966 -218.066 -108.627 -218.068 91.8027 GPRESSURE: 3254200 340.704 -312.076 -108.514 -243.465 292.915 -171.78 -93.0709 -183.393 147.697 PRESSAVG: 3254200 55.3322 21.2804 -27.7023 21.2804 -15.2299 18.1649 -27.7024 18.165 -31.1754 GPRESSAVG: 3254200 55.5291 19.5449 -27.9781 23.8371 -15.0463 18.494 -27.1827 16.4198 -31.4078 TIMING: 3254200 CPU: 9725.93, 0.00301582/step Wall: 9725.93, 0.00301582/step, 1.46251 hours remaining, 205.929688 MB of memory in use. ENERGY: 3254200 761.6452 2077.6674 1939.5651 126.8145 -206898.4351 18179.8280 0.0000 0.0000 34376.1997 -149436.7152 300.2159 -183812.9149 -149345.0405 299.3177 227.7021 260.4387 556785.9153 2.9756 3.0250 PRESSURE: 3254400 -30.8535 -54.2093 -180.152 -54.2085 57.6269 -85.1869 -180.153 -85.1888 113.384 GPRESSURE: 3254400 -6.81244 -22.6923 -208.929 -74.9211 115.431 -168.245 -164.522 5.98646 126.153 PRESSAVG: 3254400 -28.3009 -89.4242 7.44518 -89.4243 15.5544 17.4356 7.44512 17.4356 6.06547 GPRESSAVG: 3254400 -28.0914 -88.4774 5.4456 -88.9904 14.3209 17.7714 7.18213 18.2154 6.85171 TIMING: 3254400 CPU: 9726.53, 0.00303859/step Wall: 9726.53, 0.00303859/step, 1.47338 hours remaining, 205.929688 MB of memory in use. ENERGY: 3254400 731.3636 2047.2024 1954.7870 108.2012 -206416.3810 18026.1724 0.0000 0.0000 34118.2942 -149430.3602 297.9635 -183548.6544 -149338.4859 298.8218 46.7192 78.2573 558975.9117 -2.2270 -2.3062 PRESSURE: 3254600 18.6855 19.9681 -28.3053 19.9688 -85.3647 14.8522 -28.3059 14.8533 -160.506 GPRESSURE: 3254600 69.3086 110.206 17.7147 85.9743 -42.4885 50.0034 -12.7105 67.9421 -166.232 PRESSAVG: 3254600 62.0708 -24.033 -49.1629 -24.033 -36.3121 24.3113 -49.1631 24.3112 -29.2139 GPRESSAVG: 3254600 62.3765 -23.0689 -47.2248 -23.4738 -35.7946 27.078 -49.0741 24.4251 -29.7084 TIMING: 3254600 CPU: 9727.14, 0.00303238/step Wall: 9727.14, 0.00303238/step, 1.4702 hours remaining, 205.929688 MB of memory in use. ENERGY: 3254600 741.1010 2123.0019 1973.7979 119.9360 -206293.8063 17987.2943 0.0000 0.0000 34112.3507 -149236.3245 297.9116 -183348.6753 -149141.3942 298.7021 -75.7285 -46.4705 559541.5517 -1.1517 -1.0422 PRESSURE: 3254800 57.6892 -82.8359 123.452 -82.8364 -92.4212 -137.886 123.453 -137.885 23.3048 GPRESSURE: 3254800 74.9367 -77.0876 90.0553 -114.949 -50.3439 -128.901 149.147 -168.373 59.3177 PRESSAVG: 3254800 15.9264 -4.83484 16.2574 -4.83477 -55.4824 34.1479 16.2574 34.1479 32.9859 GPRESSAVG: 3254800 15.6026 -3.55341 16.6602 -6.83816 -55.1681 32.4909 16.428 34.0663 32.8012 TIMING: 3254800 CPU: 9727.74, 0.00302113/step Wall: 9727.74, 0.00302113/step, 1.46458 hours remaining, 205.929688 MB of memory in use. ENERGY: 3254800 774.9379 2096.6357 1955.7055 115.3835 -206178.5489 17847.9515 0.0000 0.0000 34117.5216 -149270.4133 297.9568 -183387.9349 -149174.4568 298.6385 -3.8091 27.9702 558183.4274 -2.1900 -2.2548 PRESSURE: 3255000 -0.09052 -136.242 -49.66 -136.241 153.973 -63.1053 -49.6603 -63.1053 -314.383 GPRESSURE: 3255000 12.5992 -66.7104 -87.269 -188.111 163.197 -67.2069 -4.01909 -63.5013 -244.884 PRESSAVG: 3255000 -71.0364 79.8001 -31.7981 79.8 27.6949 -4.02233 -31.798 -4.02232 66.4009 GPRESSAVG: 3255000 -70.6453 79.356 -32.527 80.4679 27.6127 -5.15026 -31.3101 -3.89133 66.6905 TIMING: 3255000 CPU: 9728.35, 0.00305167/step Wall: 9728.35, 0.00305167/step, 1.47921 hours remaining, 205.929688 MB of memory in use. ENERGY: 3255000 739.8558 2089.6207 1924.8717 101.5860 -206380.9306 17948.7617 0.0000 0.0000 34183.2226 -149393.0121 298.5306 -183576.2347 -149301.8171 298.8085 -53.5003 -23.0290 559206.1501 7.6864 7.8860 PRESSURE: 3255200 209.978 -42.5797 -71.382 -42.5795 314.508 109.227 -71.3822 109.226 227.12 GPRESSURE: 3255200 240.63 -26.6627 -81.4623 -108.869 340.538 125.109 -59.5548 106.586 273.142 PRESSAVG: 3255200 7.54605 65.5335 -43.0277 65.5335 26.9555 5.90287 -43.0278 5.9028 -27.73 GPRESSAVG: 3255200 7.78306 63.7046 -43.5939 63.7906 27.0185 9.35312 -41.7037 6.50495 -28.2911 TIMING: 3255200 CPU: 9728.96, 0.00301498/step Wall: 9728.96, 0.00301498/step, 1.46126 hours remaining, 205.929688 MB of memory in use. ENERGY: 3255200 750.7080 2078.5053 1964.5667 100.8468 -206805.9404 18269.9688 0.0000 0.0000 34170.0266 -149471.3181 298.4153 -183641.3447 -149377.3835 298.2853 250.5355 284.7700 557649.6785 2.2572 2.1701 PRESSURE: 3255400 89.008 30.8399 -41.6036 30.8393 187.271 -73.6589 -41.6031 -73.6591 58.993 GPRESSURE: 3255400 116.474 -34.2082 -38.8878 55.7065 218.958 -68.5192 -94.5443 -80.2491 101.355 PRESSAVG: 3255400 -0.0293768 6.59938 23.0558 6.59944 -4.26124 15.5627 23.0558 15.5626 11.6241 GPRESSAVG: 3255400 0.237877 8.28093 26.2959 6.15834 -4.18891 12.8877 20.7022 15.8548 11.9305 TIMING: 3255400 CPU: 9729.56, 0.00299657/step Wall: 9729.56, 0.00299657/step, 1.45217 hours remaining, 205.929688 MB of memory in use. ENERGY: 3255400 735.6838 2031.9024 1924.9471 107.1701 -207046.8549 18166.8932 0.0000 0.0000 34614.3113 -149465.9471 302.2954 -184080.2584 -149364.7617 298.5205 111.7573 145.5959 556226.5215 2.4445 2.6598 PRESSURE: 3255600 210.859 -51.8801 8.19633 -51.8794 444.335 99.4821 8.19578 99.4826 179.737 GPRESSURE: 3255600 223.098 -38.5896 -18.187 -50.7351 439.305 98.2178 -7.01677 113.971 272.216 PRESSAVG: 3255600 -1.04921 -28.2936 -9.24453 -28.2937 9.16861 6.45914 -9.24458 6.45914 -8.59781 GPRESSAVG: 3255600 -1.7702 -29.0069 -12.8417 -25.8707 8.52894 7.1281 -7.22358 6.60427 -7.17213 TIMING: 3255600 CPU: 9730.16, 0.00302689/step Wall: 9730.16, 0.00302689/step, 1.4667 hours remaining, 205.929688 MB of memory in use. ENERGY: 3255600 734.8898 2063.4032 1944.5219 101.1202 -206838.7948 18222.5970 0.0000 0.0000 34189.6487 -149582.6141 298.5867 -183772.2627 -149484.9275 299.1756 278.3104 311.5396 556335.5590 -0.1595 -0.1378 PRESSURE: 3255800 185.501 190.016 -154.653 190.018 -68.3863 153.231 -154.651 153.231 -4.8533 GPRESSURE: 3255800 195.483 162.649 -73.2817 160.121 -46.2766 156.732 -199.915 191.492 62.8887 PRESSAVG: 3255800 -52.9024 -30.9488 0.237046 -30.9487 18.8954 41.1064 0.237199 41.1064 -9.85494 GPRESSAVG: 3255800 -52.7556 -28.2783 1.94375 -33.6446 19.4719 39.4077 -1.65552 40.4059 -10.6416 TIMING: 3255800 CPU: 9730.77, 0.00301699/step Wall: 9730.77, 0.00301699/step, 1.46173 hours remaining, 205.929688 MB of memory in use. ENERGY: 3255800 728.0124 2099.1663 1988.3039 118.6110 -206388.8128 17718.6980 0.0000 0.0000 34295.3615 -149440.6597 299.5099 -183736.0212 -149333.1699 299.2102 37.4205 70.6985 555963.3561 -14.6206 -14.6418 PRESSURE: 3256000 139.613 118.128 -34.4454 118.129 252.388 -51.6446 -34.4459 -51.6454 106.877 GPRESSURE: 3256000 219.535 138.362 -9.52508 42.1987 287.102 -103.512 -38.4538 -23.4835 82.7745 PRESSAVG: 3256000 15.068 48.116 -20.9166 48.1161 -16.9254 36.8572 -20.9167 36.8571 9.59312 GPRESSAVG: 3256000 15.4412 48.1639 -22.0366 48.216 -17.2494 38.8765 -19.5088 38.5363 9.49825 TIMING: 3256000 CPU: 9731.37, 0.00300831/step Wall: 9731.37, 0.00300831/step, 1.45736 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: 3256000 744.3520 2104.6208 1956.1170 108.7699 -206608.9741 18021.8527 0.0000 0.0000 34426.6171 -149246.6447 300.6562 -183673.2618 -149165.7812 299.1314 166.2926 196.4702 555957.5051 2.5786 2.5634 PRESSURE: 3256200 44.1573 -189.622 1.92089 -189.623 109.58 -27.2441 1.92044 -27.2432 -1.0599 GPRESSURE: 3256200 72.1705 -125.654 15.5053 -288.046 180.075 -52.3221 -120.136 5.22448 -5.55644 PRESSAVG: 3256200 -57.4974 63.2394 63.5537 63.2395 30.6749 47.2607 63.5536 47.2606 33.0037 GPRESSAVG: 3256200 -59.0777 60.9118 63.5737 64.1992 31.5076 46.8691 62.436 46.0455 33.2331 TIMING: 3256200 CPU: 9731.97, 0.00301683/step Wall: 9731.97, 0.00301683/step, 1.46132 hours remaining, 205.929688 MB of memory in use. ENERGY: 3256200 711.9301 2079.4664 1955.2645 112.6385 -206414.7653 17846.5594 0.0000 0.0000 34281.4658 -149427.4405 299.3886 -183708.9063 -149329.4795 299.4036 50.8924 82.2295 555888.2129 2.0604 1.8877 LDB: ============= START OF LOAD BALANCING ============== 9735.4 LDB: ============== END OF LOAD BALANCING =============== 9735.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9735.41 LDB: ============= START OF LOAD BALANCING ============== 9735.71 LDB: Largest compute 4819 load 0.028711 is 24.3% of average load 0.117988 LDB: Average compute 0.001748 is 1.5% of average load 0.117988 LDB: TIME 9735.71 LOAD: AVG 0.117988 MAX 0.21244 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.004 MB LDB: TIME 9735.71 LOAD: AVG 0.117988 MAX 0.21244 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.004 MB LDB: TIME 9735.71 LOAD: AVG 0.117988 MAX 0.21244 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.004 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9735.71 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9735.72 PRESSURE: 3256400 113.826 76.8382 78.3038 76.838 -92.9993 46.6035 78.304 46.6023 -222.625 GPRESSURE: 3256400 169.69 96.9118 128.39 -33.6879 -58.1242 -3.93864 149.04 63.4789 -215.002 PRESSAVG: 3256400 17.05 -22.7239 30.4628 -22.724 -39.9969 56.5578 30.4628 56.5577 42.4432 GPRESSAVG: 3256400 18.0695 -22.8188 30.1969 -21.544 -41.0924 57.3972 32.3124 56.5085 42.4934 TIMING: 3256400 CPU: 9732.59, 0.00309255/step Wall: 9732.59, 0.00309255/step, 1.49783 hours remaining, 207.441406 MB of memory in use. ENERGY: 3256400 755.5110 2090.9743 1939.6695 111.3083 -206122.1536 17773.2240 0.0000 0.0000 33995.4512 -149456.0154 296.8907 -183451.4666 -149360.0347 298.8739 -67.2658 -34.4789 557102.3539 6.4988 6.4902 PRESSURE: 3256600 -124.279 75.9999 108.235 75.9993 26.2993 142.168 108.234 142.169 -7.91951 GPRESSURE: 3256600 -60.8126 26.8667 68.6326 31.5064 54.1842 113.376 45.5569 171.742 3.84638 PRESSAVG: 3256600 18.8768 18.7787 -10.0111 18.7787 12.9462 10.9276 -10.0111 10.9277 -44.7584 GPRESSAVG: 3256600 18.5845 20.2578 -10.5811 16.1117 13.8943 10.6145 -8.64113 10.1659 -45.3291 TIMING: 3256600 CPU: 9733.2, 0.00304313/step Wall: 9733.2, 0.00304313/step, 1.47372 hours remaining, 207.640625 MB of memory in use. ENERGY: 3256600 746.3129 2058.7300 1943.0665 115.9113 -205987.8252 17740.1560 0.0000 0.0000 34263.5724 -149120.0762 299.2323 -183383.6485 -149021.2898 299.4878 -35.2999 -0.9273 556745.3431 -4.3118 -4.2834 PRESSURE: 3256800 87.0037 -111.816 28.3966 -111.815 -271.872 9.2775 28.3958 9.27816 -227.457 GPRESSURE: 3256800 64.2871 -30.6907 44.5767 -123.759 -226.38 70.8198 57.7321 -46.305 -161.534 PRESSAVG: 3256800 38.0135 -35.1898 6.14252 -35.1898 -18.526 -2.97243 6.1425 -2.97248 -30.5049 GPRESSAVG: 3256800 38.9991 -37.2601 7.31999 -32.1893 -18.6388 -2.23008 4.33878 -4.04705 -31.521 TIMING: 3256800 CPU: 9733.8, 0.0030211/step Wall: 9733.8, 0.0030211/step, 1.46288 hours remaining, 207.640625 MB of memory in use. ENERGY: 3256800 768.9406 2055.9467 1952.8849 120.7699 -205885.0117 17506.8136 0.0000 0.0000 34344.3032 -149135.3529 299.9373 -183479.6561 -149033.4921 299.7860 -137.4416 -107.8754 556836.7116 -3.6725 -3.7202 PRESSURE: 3257000 -37.8189 38.2131 -86.4758 38.2141 -194.615 116.751 -86.4771 116.752 -83.5835 GPRESSURE: 3257000 34.0397 71.919 -49.149 12.355 -155.949 -0.045302 -110.765 155.448 -90.1491 PRESSAVG: 3257000 56.2015 -21.8164 -8.61312 -21.8164 -34.3303 71.2222 -8.61313 71.2223 -33.2886 GPRESSAVG: 3257000 55.1654 -22.2282 -8.53819 -23.0475 -33.4834 69.8846 -7.35036 73.0641 -32.794 TIMING: 3257000 CPU: 9734.4, 0.00301564/step Wall: 9734.4, 0.00301564/step, 1.46007 hours remaining, 207.640625 MB of memory in use. ENERGY: 3257000 757.9848 2045.4851 1944.7593 114.3217 -206002.1040 17639.6174 0.0000 0.0000 34229.6156 -149270.3200 298.9357 -183499.9356 -149174.7242 299.4218 -105.3392 -70.6861 556886.8369 -3.8058 -3.7040 PRESSURE: 3257200 -172.579 -75.7377 -201.319 -75.7383 -297.904 -19.8853 -201.318 -19.8839 -235.042 GPRESSURE: 3257200 -177.428 -28.7254 -114.452 -65.7382 -241.361 81.6086 -148.599 8.27246 -195.287 PRESSAVG: 3257200 19.1049 -2.08797 -25.8033 -2.088 -2.5244 -16.0791 -25.8033 -16.0792 15.5924 GPRESSAVG: 3257200 20.2716 1.80958 -25.8133 -2.28083 -2.21478 -15.1583 -26.0035 -16.2492 14.4414 TIMING: 3257200 CPU: 9735.01, 0.00301786/step Wall: 9735.01, 0.00301786/step, 1.46098 hours remaining, 207.640625 MB of memory in use. ENERGY: 3257200 777.3566 2077.9120 1963.6689 118.4956 -206332.6879 17761.6120 0.0000 0.0000 34360.0008 -149273.6419 300.0744 -183633.6428 -149180.0702 299.3075 -235.1753 -204.6920 557826.0580 10.7243 10.8328 PRESSURE: 3257400 -44.8106 33.6137 -37.6782 33.6156 3.98936 -62.9189 -37.6801 -62.9192 -102.879 GPRESSURE: 3257400 0.454411 93.5392 -22.8962 16.6475 18.8194 -35.794 22.455 -35.188 -76.0018 PRESSAVG: 3257400 -3.43483 49.3463 -3.77382 49.3463 30.8345 10.74 -3.7739 10.7399 -24.6243 GPRESSAVG: 3257400 -3.15191 48.1832 -3.64642 49.1747 30.6023 8.52358 -3.90961 11.479 -24.572 TIMING: 3257400 CPU: 9735.62, 0.00303268/step Wall: 9735.62, 0.00303268/step, 1.46799 hours remaining, 207.640625 MB of memory in use. ENERGY: 3257400 744.8429 2097.8399 1975.5226 113.0077 -206249.9754 17792.7769 0.0000 0.0000 34186.8840 -149339.1013 298.5626 -183525.9853 -149235.8215 299.0868 -47.8999 -18.9093 558045.2126 0.9251 0.9595 PRESSURE: 3257600 40.091 -0.99882 48.6123 -0.998536 313.588 -166.897 48.6117 -166.898 255.248 GPRESSURE: 3257600 110.518 -21.181 78.6132 58.0823 290.111 -141.03 0.468454 -214.752 296.291 PRESSAVG: 3257600 -6.19998 81.4688 -7.77043 81.4688 14.5012 -2.14988 -7.7703 -2.14996 43.8794 GPRESSAVG: 3257600 -7.44417 79.976 -7.54563 80.8403 13.5403 -1.24781 -7.94285 -3.34492 46.2071 TIMING: 3257600 CPU: 9736.23, 0.00305113/step Wall: 9736.23, 0.00305113/step, 1.47675 hours remaining, 207.640625 MB of memory in use. ENERGY: 3257600 756.1802 2148.1045 1962.5740 116.9357 -206534.1578 18201.9937 0.0000 0.0000 34008.6680 -149339.7017 297.0062 -183348.3697 -149246.3497 298.7329 202.9758 232.3067 558985.2624 17.3935 17.4344 PRESSURE: 3257800 139.61 -41.1021 -101.5 -41.1024 -230.777 -72.4332 -101.501 -72.4343 142.452 GPRESSURE: 3257800 135.121 -94.1284 -116.327 -10.5351 -182.17 -40.7052 -19.4854 33.992 187.433 PRESSAVG: 3257800 -50.3206 68.9318 16.7984 68.9318 15.2234 -28.1516 16.7985 -28.1517 12.5589 GPRESSAVG: 3257800 -49.5715 66.7489 16.4 71.3127 16.6863 -28.0744 15.5489 -27.1868 10.4105 TIMING: 3257800 CPU: 9736.83, 0.0030252/step Wall: 9736.83, 0.0030252/step, 1.46403 hours remaining, 207.640625 MB of memory in use. ENERGY: 3257800 795.3859 2099.5172 1972.7900 121.5940 -206669.7221 18251.6240 0.0000 0.0000 34160.0937 -149268.7173 298.3286 -183428.8109 -149173.4768 299.0016 17.0950 46.7950 559491.2265 -7.5127 -7.4916 PRESSURE: 3258000 -74.2663 15.1697 -47.6154 15.1683 -295.436 122.587 -47.6161 122.589 130.978 GPRESSURE: 3258000 -67.8899 49.6189 -84.3719 47.2151 -201.603 154.476 16.6771 104.679 129.097 PRESSAVG: 3258000 8.93515 39.978 -3.19696 39.978 -79.5157 -34.0901 -3.19697 -34.0902 66.065 GPRESSAVG: 3258000 9.3936 41.8587 -3.09672 39.1947 -81.0833 -33.0356 -4.15733 -34.0207 67.7417 TIMING: 3258000 CPU: 9737.43, 0.00300625/step Wall: 9737.43, 0.00300625/step, 1.45469 hours remaining, 207.640625 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: 3258000 734.1471 2091.7910 1997.8473 105.3533 -206197.8703 17884.0438 0.0000 0.0000 34293.5834 -149091.1044 299.4944 -183384.6878 -148991.4816 298.8564 -79.5747 -46.7987 560314.4965 -1.5052 -1.3160 PRESSURE: 3258200 -362.294 59.3766 -151.771 59.3772 175.436 63.4606 -151.772 63.462 -124.767 GPRESSURE: 3258200 -280.353 88.8741 -122.201 73.717 169.435 50.8771 -157.048 84.4527 -104.543 PRESSAVG: 3258200 -42.8075 20.6879 -7.48082 20.6879 -30.7496 -28.2876 -7.48092 -28.2876 62.1823 GPRESSAVG: 3258200 -43.7708 21.2376 -7.39092 20.3908 -29.0548 -29.0197 -4.89459 -29.7526 61.303 TIMING: 3258200 CPU: 9738.03, 0.00301369/step Wall: 9738.03, 0.00301369/step, 1.45812 hours remaining, 207.640625 MB of memory in use. ENERGY: 3258200 732.5068 2074.8027 2003.5189 102.4609 -206087.8935 17768.8778 0.0000 0.0000 34190.1350 -149215.5914 298.5910 -183405.7264 -149119.6344 299.6346 -103.8754 -71.8201 558360.9609 -3.7916 -3.8409 PRESSURE: 3258400 65.5751 -53.7596 170.148 -53.7593 -55.3179 -138.528 170.147 -138.528 -322.143 GPRESSURE: 3258400 102.545 -88.6778 80.5291 -58.4226 32.9303 -111.89 188.43 -177.033 -355.727 PRESSAVG: 3258400 -85.1301 35.2238 -39.0039 35.2237 91.3386 -39.1904 -39.0038 -39.1904 45.2032 GPRESSAVG: 3258400 -84.0866 34.6134 -40.8795 35.7332 89.3877 -37.0749 -40.154 -40.7697 45.9318 TIMING: 3258400 CPU: 9738.64, 0.00303262/step Wall: 9738.64, 0.00303262/step, 1.46711 hours remaining, 207.640625 MB of memory in use. ENERGY: 3258400 740.1270 2090.9497 1971.6220 128.2873 -206089.2670 17563.7271 0.0000 0.0000 34301.7024 -149292.8515 299.5653 -183594.5540 -149200.5896 299.4046 -103.9619 -73.4173 557626.4728 17.1372 17.0776 PRESSURE: 3258600 -3.23272 10.5338 -28.1734 10.5342 129.771 94.7889 -28.1737 94.7871 255.425 GPRESSURE: 3258600 28.3059 -35.778 22.5612 -5.74123 116.451 35.3649 -64.9258 33.7408 342 PRESSAVG: 3258600 70.6543 67.8578 30.1075 67.8579 15.428 4.64276 30.1075 4.64268 -94.2762 GPRESSAVG: 3258600 69.7761 69.4479 30.9219 66.508 15.5448 0.490667 27.0525 8.26992 -93.4373 TIMING: 3258600 CPU: 9739.24, 0.00301651/step Wall: 9739.24, 0.00301651/step, 1.45915 hours remaining, 207.640625 MB of memory in use. ENERGY: 3258600 759.9431 2069.6418 1979.4349 110.6155 -206370.5554 17963.0978 0.0000 0.0000 34323.7211 -149164.1011 299.7576 -183487.8222 -149064.6111 300.1305 127.3212 162.2523 556270.6753 -2.7313 -2.7055 PRESSURE: 3258800 -252.244 -65.2386 -120.991 -65.2379 -485.907 171.121 -120.991 171.119 -64.6485 GPRESSURE: 3258800 -268.236 14.9225 -129.315 -41.8636 -397.168 85.3129 -96.0458 93.2286 -28.0282 PRESSAVG: 3258800 -23.389 38.0669 -37.8106 38.0669 -37.6922 31.629 -37.8107 31.629 44.7914 GPRESSAVG: 3258800 -23.1432 38.8305 -35.7743 37.8861 -36.6789 34.6101 -35.5934 28.6793 43.0822 TIMING: 3258800 CPU: 9739.85, 0.00301791/step Wall: 9739.85, 0.00301791/step, 1.45966 hours remaining, 207.640625 MB of memory in use. ENERGY: 3258800 763.0899 2149.3826 1943.7186 117.3818 -205776.2983 17441.7340 0.0000 0.0000 34264.1093 -149096.8820 299.2370 -183360.9913 -149009.8678 299.1140 -267.6000 -231.1439 558579.6584 -5.4299 -5.5800 PRESSURE: 3259000 -158.208 -34.7342 -75.7636 -34.7339 16.98 -25.6964 -75.7637 -25.6968 193.756 GPRESSURE: 3259000 -161.427 -90.4946 -67.1538 -18.5413 36.8417 -38.0642 -78.637 -36.214 281.19 PRESSAVG: 3259000 -46.7494 -7.81708 22.01 -7.81709 32.7686 8.80052 22.0101 8.80066 -21.7174 GPRESSAVG: 3259000 -47.6604 -9.78648 19.5373 -5.79125 32.1748 7.243 23.1983 11.7582 -20.877 TIMING: 3259000 CPU: 9740.45, 0.00301184/step Wall: 9740.45, 0.00301184/step, 1.45656 hours remaining, 207.640625 MB of memory in use. ENERGY: 3259000 746.2214 2076.1539 1972.5254 110.3536 -206363.1957 17882.4354 0.0000 0.0000 34358.4732 -149217.0328 300.0611 -183575.5060 -149113.0107 300.1973 17.5092 52.2017 557245.9378 -11.8994 -12.1208 PRESSURE: 3259200 77.6385 -0.148953 -9.84175 -0.148777 0.539381 -149.206 -9.84041 -149.206 -154.251 GPRESSURE: 3259200 79.7864 -21.7295 -0.508948 58.7064 32.2945 -191.992 -78.268 -205.375 -102.275 PRESSAVG: 3259200 6.61791 3.78135 -31.3599 3.78123 2.06902 -10.2598 -31.3599 -10.2598 7.80199 GPRESSAVG: 3259200 7.84564 3.98104 -30.0794 5.53519 1.81952 -8.63675 -32.42 -11.1497 7.40975 TIMING: 3259200 CPU: 9741.06, 0.00303727/step Wall: 9741.06, 0.00303727/step, 1.46869 hours remaining, 207.640625 MB of memory in use. ENERGY: 3259200 768.5654 2102.8862 1977.9688 107.5592 -206426.6460 17781.4734 0.0000 0.0000 34381.0246 -149307.1684 300.2580 -183688.1930 -149214.2902 299.8564 -25.3576 3.2687 556724.5462 5.4963 5.6916 PRESSURE: 3259400 -5.63428 61.3852 -27.9955 61.385 -55.6204 144.798 -27.9957 144.797 -190.947 GPRESSURE: 3259400 65.0155 -3.07999 -58.5675 121.179 -30.9681 87.5585 -45.353 168.09 -182.126 PRESSAVG: 3259400 -28.7238 33.6446 -1.55649 33.6447 37.8443 -16.3061 -1.55651 -16.3061 -7.72476 GPRESSAVG: 3259400 -27.6025 32.4405 -2.8282 30.9329 37.7248 -17.596 -0.666404 -16.2829 -9.20118 TIMING: 3259400 CPU: 9741.66, 0.0030029/step Wall: 9741.66, 0.0030029/step, 1.4519 hours remaining, 207.640625 MB of memory in use. ENERGY: 3259400 725.8223 2102.1780 1958.1095 130.9257 -206352.4891 17786.6663 0.0000 0.0000 34277.2193 -149371.5679 299.3515 -183648.7872 -149278.6473 299.6117 -84.0671 -49.3594 557293.1994 0.4653 0.3070 PRESSURE: 3259600 -57.1862 159.646 15.5057 159.647 -35.4379 28.3264 15.5047 28.3271 156.044 GPRESSURE: 3259600 -78.7588 56.1223 33.2286 222.624 36.49 -28.9422 60.0841 -2.30875 206.567 PRESSAVG: 3259600 -35.4723 35.7022 29.7131 35.7022 -12.9152 44.9439 29.7132 44.9438 32.3723 GPRESSAVG: 3259600 -36.0272 38.1925 31.33 34.2265 -12.3966 44.0894 28.5581 46.8237 32.855 TIMING: 3259600 CPU: 9742.26, 0.00299775/step Wall: 9742.26, 0.00299775/step, 1.44925 hours remaining, 207.640625 MB of memory in use. ENERGY: 3259600 721.6629 2101.9346 1962.1685 120.8700 -206415.2595 17803.9808 0.0000 0.0000 34149.0060 -149555.6366 298.2318 -183704.6426 -149463.1195 299.0474 21.1399 54.7661 556203.2858 -5.3384 -5.1896 PRESSURE: 3259800 -78.7881 -116.348 -109.197 -116.348 -172.855 147.555 -109.198 147.556 269.372 GPRESSURE: 3259800 -98.2199 -127.619 -33.3668 -77.4132 -129.495 121.446 -162.07 85.4517 348.594 PRESSAVG: 3259800 -28.7007 2.68464 64.6588 2.68454 55.003 37.6198 64.6588 37.6198 14.3883 GPRESSAVG: 3259800 -29.01 -0.989508 64.725 6.98243 54.831 37.616 63.0531 37.4947 14.459 TIMING: 3259800 CPU: 9742.86, 0.00301325/step Wall: 9742.86, 0.00301325/step, 1.45657 hours remaining, 207.640625 MB of memory in use. ENERGY: 3259800 727.2080 2049.1572 1969.7815 98.4294 -206269.2300 17835.7519 0.0000 0.0000 34128.4273 -149460.4747 298.0520 -183588.9020 -149363.9294 298.7713 5.9096 40.2930 556727.0454 13.5635 13.4267 PRESSURE: 3260000 72.4158 46.6364 -1.27285 46.6368 -15.2613 -145.363 -1.27149 -145.363 -78.4879 GPRESSURE: 3260000 84.1903 94.1974 8.43787 13.5563 42.0172 -218.475 -72.3277 -127.487 -35.0568 PRESSAVG: 3260000 -6.9125 23.1511 -20.6289 23.1511 15.1432 -37.1343 -20.6289 -37.1341 4.76839 GPRESSAVG: 3260000 -7.02162 25.361 -20.2319 19.5707 15.0259 -35.5516 -19.1146 -38.6731 5.20363 TIMING: 3260000 CPU: 9743.46, 0.00302356/step Wall: 9743.46, 0.00302356/step, 1.46139 hours remaining, 207.640625 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: 3260000 726.1799 2105.7889 1939.3351 120.8147 -206349.6184 17886.7284 0.0000 0.0000 34146.0750 -149424.6964 298.2062 -183570.7715 -149324.0104 298.0933 -7.1111 30.3836 556966.4455 4.3330 4.4027 PRESSURE: 3260200 -61.3815 -327.315 -46.3149 -327.313 -112.034 -49.455 -46.3135 -49.4536 159.443 GPRESSURE: 3260200 -11.7768 -364.081 -73.521 -329.323 -100.921 47.2133 -27.2295 -86.2366 206.102 PRESSAVG: 3260200 21.5076 -14.5361 -13.8388 -14.536 -0.205824 6.90525 -13.8388 6.90518 -53.2821 GPRESSAVG: 3260200 19.9393 -13.2989 -14.8808 -13.4007 2.26855 7.69098 -10.6816 6.26554 -53.6624 TIMING: 3260200 CPU: 9744.07, 0.00304365/step Wall: 9744.07, 0.00304365/step, 1.47093 hours remaining, 207.640625 MB of memory in use. ENERGY: 3260200 759.1857 2087.9946 1929.1594 114.1474 -206442.0986 17932.9013 0.0000 0.0000 34248.0721 -149370.6380 299.0969 -183618.7102 -149283.7057 298.0926 -4.6574 31.1345 556561.9578 -10.6601 -10.4848 LDB: ============= START OF LOAD BALANCING ============== 9747.51 LDB: ============== END OF LOAD BALANCING =============== 9747.51 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9747.51 LDB: ============= START OF LOAD BALANCING ============== 9747.81 LDB: Largest compute 4819 load 0.029664 is 25.1% of average load 0.118030 LDB: Average compute 0.001739 is 1.5% of average load 0.118030 LDB: TIME 9747.81 LOAD: AVG 0.11803 MAX 0.214602 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.445 MB LDB: TIME 9747.81 LOAD: AVG 0.11803 MAX 0.214602 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.449 MB LDB: TIME 9747.81 LOAD: AVG 0.11803 MAX 0.214602 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.449 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9747.82 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9747.82 PRESSURE: 3260400 -187.819 -81.9841 -91.6645 -81.984 176.922 -99.758 -91.6642 -99.7585 31.0685 GPRESSURE: 3260400 -139.611 -21.7546 -89.7888 -82.1624 169.824 -160.281 32.7072 -57.3099 99.7978 PRESSAVG: 3260400 -51.3691 -25.7734 -52.3806 -25.7734 62.6388 -79.5213 -52.3806 -79.5213 22.2147 GPRESSAVG: 3260400 -50.6745 -24.2965 -50.9338 -25.7223 61.2424 -79.3097 -55.3195 -81.4682 22.7213 TIMING: 3260400 CPU: 9744.69, 0.00308675/step Wall: 9744.69, 0.00308675/step, 1.49159 hours remaining, 206.093750 MB of memory in use. ENERGY: 3260400 781.6356 2059.1761 1961.9438 114.1516 -206681.6797 18083.8461 0.0000 0.0000 34342.3390 -149338.5875 299.9202 -183680.9265 -149242.2285 299.5861 6.7240 43.3370 555798.0975 11.1615 11.0964 PRESSURE: 3260600 -345.519 17.0566 12.1449 17.0565 -17.3628 24.6947 12.1446 24.6959 -64.504 GPRESSURE: 3260600 -282.235 -32.1062 63.6233 97.7947 73.0867 126.603 82.4299 61.908 -103.98 PRESSAVG: 3260600 -71.1045 -65.8594 -30.8395 -65.8594 64.8403 -19.2266 -30.8396 -19.2266 -28.3648 GPRESSAVG: 3260600 -70.2495 -68.4195 -32.0291 -65.9875 64.8596 -21.0351 -31.4072 -17.3002 -29.3709 TIMING: 3260600 CPU: 9745.3, 0.00304969/step Wall: 9745.3, 0.00304969/step, 1.47351 hours remaining, 206.093750 MB of memory in use. ENERGY: 3260600 736.1221 2044.6539 1941.9928 110.4288 -206012.0804 17602.6415 0.0000 0.0000 34294.1740 -149282.0674 299.4996 -183576.2414 -149185.1783 299.1553 -142.4618 -104.3760 556393.2559 -11.5430 -11.5869 PRESSURE: 3260800 -66.8125 30.8671 97.8004 30.8677 -119.54 47.1743 97.8016 47.175 -198.399 GPRESSURE: 3260800 -14.524 86.4353 83.7329 60.4524 -73.5102 6.50994 21.9231 58.4966 -188.735 PRESSAVG: 3260800 22.1056 -1.39952 11.9229 -1.39954 -36.1871 9.10778 11.9229 9.10772 12.1341 GPRESSAVG: 3260800 21.5387 -1.21315 10.4305 -2.32904 -36.9862 9.33703 13.1701 9.70033 12.9986 TIMING: 3260800 CPU: 9745.9, 0.00298949/step Wall: 9745.9, 0.00298949/step, 1.44426 hours remaining, 206.093750 MB of memory in use. ENERGY: 3260800 780.8662 2083.3911 1948.3027 117.5359 -205884.1430 17607.3079 0.0000 0.0000 34121.3012 -149225.4380 297.9898 -183346.7392 -149131.9002 299.1522 -128.2507 -92.2565 558632.7553 -0.6492 -0.8163 PRESSURE: 3261000 -140.907 243.75 -10.8523 243.751 62.5294 -96.4115 -10.8511 -96.4115 -192.011 GPRESSURE: 3261000 -152.228 247.079 11.4137 173.567 127.078 14.0946 -15.7715 -229.379 -139.647 PRESSAVG: 3261000 9.06719 4.7834 3.27375 4.78336 27.0008 -2.72797 3.27372 -2.728 12.7048 GPRESSAVG: 3261000 9.65241 4.65405 6.01784 5.71469 25.9638 -2.09392 0.43725 -4.23449 13.336 TIMING: 3261000 CPU: 9746.49, 0.00296522/step Wall: 9746.49, 0.00296522/step, 1.43237 hours remaining, 206.093750 MB of memory in use. ENERGY: 3261000 799.1201 2046.9013 1964.7326 124.1523 -206215.6569 17763.1713 0.0000 0.0000 34325.3522 -149192.2270 299.7718 -183517.5793 -149102.2828 299.6614 -90.1295 -54.9323 556813.6810 16.2576 16.3174 PRESSURE: 3261200 -96.093 12.6751 -0.759251 12.6751 -247.774 -18.6805 -0.759148 -18.6786 -177.364 GPRESSURE: 3261200 -60.6899 26.7391 34.256 -33.7262 -233.575 -14.8669 -45.0406 -134.09 -134.073 PRESSAVG: 3261200 11.9906 8.69007 -21.0124 8.69009 50.0136 -35.8244 -21.0124 -35.8243 -19.9625 GPRESSAVG: 3261200 11.2278 9.09391 -21.7676 8.6302 51.4613 -35.3886 -19.0081 -35.1916 -21.1883 TIMING: 3261200 CPU: 9747.09, 0.00299929/step Wall: 9747.09, 0.00299929/step, 1.44866 hours remaining, 206.093750 MB of memory in use. ENERGY: 3261200 748.9799 2058.1729 1968.2795 117.8049 -205882.1069 17513.4258 0.0000 0.0000 34055.5398 -149419.9042 297.4155 -183475.4440 -149319.0530 299.5159 -173.7436 -142.7795 557139.4383 14.0139 13.8336 PRESSURE: 3261400 8.61867 100.411 -111.633 100.41 36.1753 26.3125 -111.635 26.3134 -157.124 GPRESSURE: 3261400 -8.5739 -23.6527 -17.9872 149.71 74.2636 8.17575 -140.168 30.1993 -85.289 PRESSAVG: 3261400 -30.0945 -47.9489 -11.1819 -47.9489 -30.9146 -10.361 -11.1819 -10.3608 54.3547 GPRESSAVG: 3261400 -30.5828 -50.1896 -12.5722 -47.2619 -32.5549 -8.97754 -9.55689 -11.81 56.2355 TIMING: 3261400 CPU: 9747.69, 0.00298629/step Wall: 9747.69, 0.00298629/step, 1.44221 hours remaining, 206.093750 MB of memory in use. ENERGY: 3261400 759.1303 2073.1955 1938.5066 117.5474 -206506.6328 17844.5420 0.0000 0.0000 34287.2701 -149486.4410 299.4393 -183773.7111 -149385.2851 299.0176 -37.4435 -6.5331 556660.6071 -2.2181 -2.3007 PRESSURE: 3261600 -42.5639 -50.2484 -137.112 -50.2493 -27.0048 4.38617 -137.111 4.38803 -264.152 GPRESSURE: 3261600 -5.48733 -4.37853 -37.6006 -61.2111 -27.2286 84.8136 -93.0329 -31.0041 -203.994 PRESSAVG: 3261600 42.0355 36.1452 -23.6346 36.1452 -3.52892 -33.0603 -23.6347 -33.0605 -0.266137 GPRESSAVG: 3261600 41.7788 37.6377 -22.5 35.1458 -1.19922 -34.05 -25.3157 -31.2596 -2.3913 TIMING: 3261600 CPU: 9748.29, 0.0029991/step Wall: 9748.29, 0.0029991/step, 1.44823 hours remaining, 206.093750 MB of memory in use. ENERGY: 3261600 723.0333 2022.5963 1954.6151 110.6742 -206344.2344 17691.7957 0.0000 0.0000 34364.9401 -149476.5798 300.1176 -183841.5199 -149382.2617 298.0654 -111.2403 -78.9032 556636.4232 12.7468 12.7294 PRESSURE: 3261800 49.0388 -26.689 -14.7578 -26.6901 140.916 -8.5758 -14.7587 -8.57504 282.232 GPRESSURE: 3261800 123.735 -7.52687 -31.6202 -40.7977 213.567 -8.73823 -59.6131 -4.2666 229.244 PRESSAVG: 3261800 -47.2886 -87.5998 -26.7606 -87.5998 35.2947 -11.843 -26.7606 -11.8429 10.496 GPRESSAVG: 3261800 -46.5709 -86.9843 -26.8459 -88.3189 34.1845 -10.7623 -25.7609 -13.215 10.4299 TIMING: 3261800 CPU: 9748.9, 0.00303457/step Wall: 9748.9, 0.00303457/step, 1.46519 hours remaining, 206.093750 MB of memory in use. ENERGY: 3261800 739.8860 2090.9368 1951.4480 119.7982 -206887.2685 17998.3263 0.0000 0.0000 34382.5252 -149604.3481 300.2711 -183986.8733 -149506.4047 299.1186 157.3959 188.8487 555364.4574 -0.4993 -0.6522 PRESSURE: 3262000 -136.388 21.0422 26.0394 21.0424 251.647 2.71889 26.0381 2.71974 -141.481 GPRESSURE: 3262000 -121.827 49.3763 125.836 38.2789 261.748 -78.8274 23.1927 42.5537 -76.3582 PRESSAVG: 3262000 -72.157 -45.1374 30.4214 -45.1373 90.6761 3.54942 30.4214 3.54951 7.37574 GPRESSAVG: 3262000 -73.5648 -45.0548 31.0099 -46.06 91.2995 2.57126 30.6465 5.23285 8.47651 TIMING: 3262000 CPU: 9749.51, 0.0030476/step Wall: 9749.51, 0.0030476/step, 1.47131 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: 3262000 754.9971 2070.2010 1938.6722 113.3437 -206509.6982 17767.3158 0.0000 0.0000 34113.1438 -149752.0247 297.9186 -183865.1685 -149661.3964 298.5468 -8.7409 21.1876 555403.9278 8.6316 8.7371 PRESSURE: 3262200 -65.574 -171.625 18.2719 -171.627 33.5469 -54.5585 18.2716 -54.5586 -96.5486 GPRESSURE: 3262200 -71.3194 -207.224 -47.5102 -183.677 62.6309 -42.5372 -12.2862 -30.3907 -18.0569 PRESSAVG: 3262200 -28.9908 -9.64114 55.7978 -9.64116 -17.2314 31.4953 55.7978 31.4952 -0.553784 GPRESSAVG: 3262200 -28.5954 -10.025 55.6185 -7.80873 -17.5466 31.5592 54.9613 29.8986 -0.602673 TIMING: 3262200 CPU: 9750.11, 0.00303377/step Wall: 9750.11, 0.00303377/step, 1.46447 hours remaining, 206.132812 MB of memory in use. ENERGY: 3262200 767.1040 2058.7262 1952.2349 106.3576 -206543.0767 17862.8590 0.0000 0.0000 33888.4823 -149907.3126 295.9565 -183795.7949 -149809.1391 297.5654 -42.8586 -8.9151 556547.0369 -15.5920 -15.5815 PRESSURE: 3262400 237.241 -39.0383 23.1485 -39.0397 -250.059 -25.407 23.1466 -25.4055 -88.3703 GPRESSURE: 3262400 219.278 45.0927 -8.0772 -160.734 -236.62 37.3508 -87.9781 -75.9735 13.675 PRESSAVG: 3262400 -52.0292 -15.3464 32.156 -15.3463 88.6148 -87.7852 32.1561 -87.7853 -34.8933 GPRESSAVG: 3262400 -51.4645 -14.537 31.646 -17.9165 88.3191 -87.2864 31.7416 -86.3408 -35.0159 TIMING: 3262400 CPU: 9750.72, 0.00303191/step Wall: 9750.72, 0.00303191/step, 1.4634 hours remaining, 206.132812 MB of memory in use. ENERGY: 3262400 719.8742 2034.0239 1959.3038 107.0271 -206716.7395 18081.7960 0.0000 0.0000 33950.5769 -149864.1376 296.4988 -183814.7145 -149769.6131 297.2289 -33.7296 -1.2221 558083.8922 0.5641 0.6129 PRESSURE: 3262600 118.895 -16.1587 33.0025 -16.1593 -48.8208 -73.1311 33.0018 -73.1316 104.935 GPRESSURE: 3262600 117.17 18.6651 -1.22915 -1.87023 -16.3258 -137.651 60.7044 0.816255 166.465 PRESSAVG: 3262600 18.3614 15.6303 -34.8557 15.6303 -29.0706 2.26619 -34.8556 2.26628 -0.108778 GPRESSAVG: 3262600 17.4519 14.403 -33.9296 16.8066 -27.9687 1.93576 -35.9194 2.34044 0.146074 TIMING: 3262600 CPU: 9751.32, 0.00303231/step Wall: 9751.32, 0.00303231/step, 1.46343 hours remaining, 206.132812 MB of memory in use. ENERGY: 3262600 799.4937 2052.4187 1968.4234 98.3705 -206861.8060 17987.3447 0.0000 0.0000 34197.3019 -149758.4531 298.6535 -183955.7551 -149659.4353 297.8418 58.3363 89.1033 556014.1351 -3.6060 -3.4569 PRESSURE: 3262800 -130.192 15.7174 -19.8817 15.7173 -126.509 -74.8647 -19.8818 -74.8655 -13.7226 GPRESSURE: 3262800 -103.735 54.4964 -106.239 60.642 -89.5897 -54.7102 5.78745 -31.2129 14.5843 PRESSAVG: 3262800 8.53109 45.291 10.3019 45.2908 14.0374 2.59041 10.3019 2.59045 21.8568 GPRESSAVG: 3262800 10.4036 46.8388 9.0284 46.1744 12.634 0.967239 14.0282 2.60553 20.9075 TIMING: 3262800 CPU: 9751.92, 0.00298872/step Wall: 9751.92, 0.00298872/step, 1.44223 hours remaining, 206.132812 MB of memory in use. ENERGY: 3262800 721.8720 2134.3064 1942.9324 115.8681 -206360.0008 17613.8703 0.0000 0.0000 34095.3177 -149735.8339 297.7629 -183831.1516 -149647.1876 298.2659 -90.1412 -59.5801 556768.3444 14.8084 14.6484 PRESSURE: 3263000 144.802 -65.7331 39.8329 -65.7329 172.583 10.308 39.8317 10.3067 67.6666 GPRESSURE: 3263000 204.004 -58.0556 83.8148 -20.9222 208.332 41.2031 129.226 29.8643 58.2905 PRESSAVG: 3263000 91.7982 9.36963 -7.85723 9.36961 -20.9983 31.6579 -7.85715 31.6578 -86.2481 GPRESSAVG: 3263000 91.2505 6.58137 -6.34823 10.7317 -20.0333 34.9145 -10.3164 30.4666 -86.3986 TIMING: 3263000 CPU: 9752.51, 0.00296028/step Wall: 9752.51, 0.00296028/step, 1.42834 hours remaining, 206.132812 MB of memory in use. ENERGY: 3263000 762.6808 2091.2609 1947.8387 113.6703 -206864.8559 18063.9033 0.0000 0.0000 34297.9099 -149587.5920 299.5322 -183885.5019 -149493.5765 298.6082 128.3504 156.8756 557099.8005 -5.1494 -5.0605 PRESSURE: 3263200 -175.113 28.5454 42.0587 28.5457 39.6091 59.2893 42.0598 59.2886 -259.802 GPRESSURE: 3263200 -136.215 7.20447 7.91325 13.0822 75.7084 54.6686 102.61 -20.6135 -236.455 PRESSAVG: 3263200 -24.5507 77.3274 -28.9431 77.3274 -3.87469 -11.3753 -28.943 -11.3753 -39.3214 GPRESSAVG: 3263200 -23.8878 80.1727 -29.4866 75.6492 -4.75707 -13.015 -27.9456 -11.7202 -38.8197 TIMING: 3263200 CPU: 9753.11, 0.00298398/step Wall: 9753.11, 0.00298398/step, 1.43961 hours remaining, 206.132812 MB of memory in use. ENERGY: 3263200 766.5110 2191.4491 1954.9302 106.1781 -206087.6407 17637.8883 0.0000 0.0000 33981.7734 -149448.9105 296.7713 -183430.6840 -149356.4113 298.4797 -131.7686 -98.9869 557314.0420 -22.5823 -22.4882 PRESSURE: 3263400 -122.272 0.849545 78.4306 0.848669 214.121 -152.884 78.4304 -152.882 189.608 GPRESSURE: 3263400 -28.7933 -18.849 38.1918 -15.7954 275.697 -157.617 130.655 -82.9651 116.234 PRESSAVG: 3263400 38.6243 56.3715 -14.4977 56.3715 11.3841 -16.772 -14.4978 -16.772 -27.4017 GPRESSAVG: 3263400 38.2962 56.6965 -14.0288 55.2447 12.1898 -17.9484 -15.7292 -15.7563 -27.6392 TIMING: 3263400 CPU: 9753.71, 0.00299045/step Wall: 9753.71, 0.00299045/step, 1.44256 hours remaining, 206.132812 MB of memory in use. ENERGY: 3263400 709.4718 2137.2212 1960.1434 100.2515 -206586.3300 17913.8254 0.0000 0.0000 34339.7469 -149425.6698 299.8976 -183765.4167 -149331.2357 299.0647 93.8191 121.0460 556354.3847 7.5356 7.6156 PRESSURE: 3263600 165.837 -27.8813 -140.442 -27.8818 -31.8881 14.8647 -140.443 14.8658 305.927 GPRESSURE: 3263600 238.263 -21.5486 -57.2006 12.1267 -28.7292 -20.0529 -135.025 100.731 338.118 PRESSAVG: 3263600 -45.6431 -9.74811 1.27512 -9.74814 -30.2931 -24.7625 1.27514 -24.7626 16.68 GPRESSAVG: 3263600 -45.5929 -11.5765 2.5937 -7.11121 -30.007 -23.9046 0.93393 -25.9208 17.1108 TIMING: 3263600 CPU: 9754.32, 0.00302909/step Wall: 9754.32, 0.00302909/step, 1.46103 hours remaining, 206.132812 MB of memory in use. ENERGY: 3263600 717.5302 2079.6666 1944.4109 119.1969 -206352.1059 17964.2228 0.0000 0.0000 34164.3350 -149362.7436 298.3656 -183527.0786 -149265.4379 298.9890 146.6253 182.5504 555859.0800 -19.7521 -19.4964 PRESSURE: 3263800 -140.168 272.249 -104.066 272.247 49.6113 71.0756 -104.067 71.0747 -138.409 GPRESSURE: 3263800 -84.4537 230.232 -168.505 214.345 100.807 101.414 -103.111 140.684 -159.583 PRESSAVG: 3263800 15.2765 79.8313 -31.7224 79.8313 -37.2206 21.687 -31.7224 21.687 11.1716 GPRESSAVG: 3263800 15.5527 80.5009 -32.9154 75.743 -38.0885 22.5442 -30.9124 23.6328 11.7387 TIMING: 3263800 CPU: 9754.92, 0.00300431/step Wall: 9754.92, 0.00300431/step, 1.44891 hours remaining, 206.132812 MB of memory in use. ENERGY: 3263800 737.3186 2022.5818 1931.5902 126.3222 -206307.3071 17844.0798 0.0000 0.0000 34376.2694 -149269.1451 300.2165 -183645.4145 -149168.1402 299.8081 -76.3218 -47.7432 558281.1969 -3.5908 -3.5990 PRESSURE: 3264000 -242.279 -68.3673 -12.9387 -68.3679 -311.273 -94.3579 -12.9374 -94.3581 17.0854 GPRESSURE: 3264000 -214.102 -48.225 -53.9917 -19.1399 -228.209 -164.857 14.2202 8.29639 3.00946 PRESSAVG: 3264000 14.3549 -1.77282 -4.41134 -1.77282 -37.924 19.8839 -4.41127 19.8839 16.6225 GPRESSAVG: 3264000 13.5855 -1.62813 -5.75095 0.396854 -37.2561 18.9206 -3.52916 18.673 16.4244 TIMING: 3264000 CPU: 9755.51, 0.00298976/step Wall: 9755.51, 0.00298976/step, 1.44173 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: 3264000 776.3583 2066.6282 1964.5275 127.1309 -205980.1932 17632.8330 0.0000 0.0000 34114.1078 -149298.6076 297.9270 -183412.7153 -149199.1401 299.2643 -178.8222 -146.4337 557711.0271 -2.3156 -2.4154 PRESSURE: 3264200 14.9271 -87.4821 -93.8372 -87.482 -82.7665 -59.439 -93.8373 -59.4397 101.874 GPRESSURE: 3264200 37.1983 -100.301 12.7666 -112.795 -50.3641 -70.6391 -127.808 -98.9576 154.789 PRESSAVG: 3264200 54.0368 -66.7914 14.9887 -66.7914 -37.4678 -8.0744 14.9888 -8.07444 14.6194 GPRESSAVG: 3264200 54.3804 -67.8863 16.1314 -65.6932 -37.2018 -8.39069 16.0282 -8.83042 13.6616 TIMING: 3264200 CPU: 9756.11, 0.0029828/step Wall: 9756.11, 0.0029828/step, 1.43821 hours remaining, 206.132812 MB of memory in use. ENERGY: 3264200 743.5256 2101.7023 1960.7925 130.7097 -206284.9045 17813.7519 0.0000 0.0000 34428.4443 -149105.9782 300.6722 -183534.4226 -149017.3866 299.9719 11.3447 47.2077 557183.0825 10.3961 10.2801 LDB: ============= START OF LOAD BALANCING ============== 9759.54 LDB: ============== END OF LOAD BALANCING =============== 9759.54 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9759.54 LDB: ============= START OF LOAD BALANCING ============== 9759.84 LDB: Largest compute 4819 load 0.027368 is 23.2% of average load 0.118105 LDB: Average compute 0.001736 is 1.5% of average load 0.118105 LDB: TIME 9759.85 LOAD: AVG 0.118105 MAX 0.212847 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.473 MB LDB: TIME 9759.85 LOAD: AVG 0.118105 MAX 0.212847 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.473 MB LDB: TIME 9759.85 LOAD: AVG 0.118105 MAX 0.212847 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9759.85 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9759.85 PRESSURE: 3264400 47.2743 -156.066 -136.96 -156.066 -363.648 -229.736 -136.959 -229.737 54.2873 GPRESSURE: 3264400 124.364 -95.2833 -23.514 -130.407 -308.636 -282.469 -226.699 -146.424 9.65861 PRESSAVG: 3264400 17.3494 -10.6603 20.0511 -10.6604 1.33056 -85.0449 20.0511 -85.0449 -20.5367 GPRESSAVG: 3264400 17.8118 -11.6737 19.5416 -10.6465 0.60402 -83.2444 20.9648 -84.2211 -20.384 TIMING: 3264400 CPU: 9756.72, 0.00305746/step Wall: 9756.72, 0.00305746/step, 1.47404 hours remaining, 205.699219 MB of memory in use. ENERGY: 3264400 759.2646 2116.5934 1970.0295 112.8993 -206107.8745 17643.0689 0.0000 0.0000 34275.0737 -149230.9450 299.3327 -183506.0187 -149138.8070 299.8854 -87.3622 -58.2046 557352.9555 -0.6189 -0.6560 PRESSURE: 3264600 -109.541 -40.4578 39.0208 -40.4575 -36.8644 -80.4468 39.0214 -80.4457 89.0004 GPRESSURE: 3264600 -32.0661 -82.8918 68.9676 -33.3281 -23.2 -127.458 16.6607 2.75153 97.9488 PRESSAVG: 3264600 -25.1107 30.2004 0.717498 30.2004 30.3625 -39.5617 0.717415 -39.5617 0.369914 GPRESSAVG: 3264600 -24.9294 33.2349 1.21122 28.8012 30.4225 -37.1364 -1.48511 -40.3382 -0.0660375 TIMING: 3264600 CPU: 9757.32, 0.00300894/step Wall: 9757.32, 0.00300894/step, 1.45047 hours remaining, 205.699219 MB of memory in use. ENERGY: 3264600 736.8770 2119.3024 1968.2042 124.1493 -206193.1059 17782.2866 0.0000 0.0000 34360.1207 -149102.1657 300.0755 -183462.2864 -149013.8560 299.7846 -19.1350 14.2276 556813.2294 1.8739 1.8090 PRESSURE: 3264800 -46.5958 -30.4303 38.4507 -30.4301 116.771 -3.18281 38.4507 -3.18307 -48.2284 GPRESSURE: 3264800 46.3029 -73.5849 72.4357 -101.253 159.409 72.923 73.2492 -52.366 -87.023 PRESSAVG: 3264800 -5.20044 -44.1421 -28.2872 -44.142 13.3351 -14.3099 -28.2871 -14.3098 -3.5559 GPRESSAVG: 3264800 -5.66322 -45.456 -27.008 -43.1901 13.4343 -16.7133 -28.2195 -12.3642 -3.61774 TIMING: 3264800 CPU: 9757.93, 0.00303184/step Wall: 9757.93, 0.00303184/step, 1.46135 hours remaining, 205.699219 MB of memory in use. ENERGY: 3264800 767.4718 2127.5162 1946.1057 104.3313 -206447.0269 18008.4414 0.0000 0.0000 34199.3772 -149293.7832 298.6717 -183493.1605 -149191.8184 299.4325 7.3157 39.5629 557543.0271 1.5263 1.3844 PRESSURE: 3265000 34.3651 -30.1227 -48.4849 -30.1232 -56.9946 149.627 -48.4848 149.626 -313.354 GPRESSURE: 3265000 107.607 -63.9292 -28.7852 -80.7109 -36.9509 110.834 -47.271 151.17 -301.125 PRESSAVG: 3265000 12.495 10.8599 13.2521 10.86 0.0488812 -26.7269 13.2521 -26.7269 0.868012 GPRESSAVG: 3265000 11.519 10.5782 11.4281 11.8744 -0.298228 -26.5981 12.8678 -27.67 2.1907 TIMING: 3265000 CPU: 9758.54, 0.00303607/step Wall: 9758.54, 0.00303607/step, 1.46322 hours remaining, 205.699219 MB of memory in use. ENERGY: 3265000 745.6226 2138.9263 1920.0144 116.2963 -205720.4146 17324.9074 0.0000 0.0000 34162.7522 -149311.8955 298.3518 -183474.6476 -149220.5898 299.7758 -111.9946 -76.8231 557384.2722 4.4706 4.4705 PRESSURE: 3265200 333.161 -13.8454 -19.6837 -13.8451 164.854 66.2318 -19.6833 66.2311 75.2628 GPRESSURE: 3265200 353.669 -13.9728 -17.1827 11.5066 210.849 59.9496 -40.6366 -16.4797 103.968 PRESSAVG: 3265200 12.9061 -21.7994 22.9032 -21.7993 36.5136 -8.3496 22.9032 -8.34961 -56.9401 GPRESSAVG: 3265200 13.3553 -19.8944 22.7562 -23.8609 36.9688 -8.26637 22.8537 -8.23453 -57.343 TIMING: 3265200 CPU: 9759.14, 0.00303042/step Wall: 9759.14, 0.00303042/step, 1.46033 hours remaining, 205.699219 MB of memory in use. ENERGY: 3265200 735.8156 2074.4578 1949.4112 116.8111 -206799.0458 18165.1659 0.0000 0.0000 34367.4577 -149389.9265 300.1396 -183757.3842 -149287.6205 299.3392 191.0927 222.8289 556030.7082 -2.5068 -2.3396 PRESSURE: 3265400 8.23654 6.0877 32.1868 6.08891 71.9489 -67.5558 32.186 -67.5559 65.9641 GPRESSURE: 3265400 29.8959 1.30313 17.9325 16.254 74.7282 -78.0035 -38.6386 13.4417 131.716 PRESSAVG: 3265400 31.238 27.6354 -48.9855 27.6354 -53.3347 -36.1785 -48.9855 -36.1785 17.6157 GPRESSAVG: 3265400 31.2641 26.6365 -48.3998 28.733 -52.9936 -35.6017 -49.9412 -37.6417 17.7464 TIMING: 3265400 CPU: 9759.75, 0.00301489/step Wall: 9759.75, 0.00301489/step, 1.45268 hours remaining, 205.699219 MB of memory in use. ENERGY: 3265400 744.8412 2114.8249 1959.8443 107.4853 -206568.1981 18013.1362 0.0000 0.0000 34352.9771 -149275.0890 300.0131 -183628.0661 -149178.6893 300.1913 48.7165 78.7802 557945.2908 -1.4937 -1.3277 PRESSURE: 3265600 18.7261 -20.4265 35.4722 -20.4267 319.278 135.879 35.4709 135.879 194.643 GPRESSURE: 3265600 31.9901 -28.803 8.57816 -41.7954 325.29 189.628 11.0251 112.658 263.507 PRESSAVG: 3265600 33.8101 28.7429 -42.2706 28.7429 -39.2752 -9.45952 -42.2707 -9.45959 19.9174 GPRESSAVG: 3265600 32.5445 29.9736 -40.7253 27.8105 -38.58 -9.86259 -41.1399 -7.80898 20.277 TIMING: 3265600 CPU: 9760.35, 0.0030243/step Wall: 9760.35, 0.0030243/step, 1.45704 hours remaining, 205.699219 MB of memory in use. ENERGY: 3265600 761.3452 2067.9014 1925.6931 110.4220 -206711.1599 18138.6325 0.0000 0.0000 34169.0962 -149538.0696 298.4072 -183707.1658 -149441.6515 298.8142 177.5493 206.9290 556889.5184 4.8174 4.7471 PRESSURE: 3265800 -96.4975 -57.5099 -38.6518 -57.51 117.79 21.3145 -38.6521 21.3155 -106.436 GPRESSURE: 3265800 -56.991 -75.9836 58.072 -82.0203 103.694 20.5585 -131.39 -37.7392 -44.1732 PRESSAVG: 3265800 2.4491 -11.9137 -15.0566 -11.9137 60.9503 -60.4185 -15.0566 -60.4185 -47.2886 GPRESSAVG: 3265800 1.28702 -13.087 -17.165 -10.1163 60.8475 -61.4687 -15.5717 -60.2634 -45.3585 TIMING: 3265800 CPU: 9760.95, 0.00300118/step Wall: 9760.95, 0.00300118/step, 1.44574 hours remaining, 205.699219 MB of memory in use. ENERGY: 3265800 773.0735 2095.3068 1955.9030 112.6395 -206320.6719 17828.4489 0.0000 0.0000 34236.4878 -149318.8123 298.9958 -183555.3001 -149221.2393 298.5684 -28.3813 0.8433 558350.8676 5.3703 5.5920 PRESSURE: 3266000 -225.618 27.2147 -105.209 27.2139 -254.959 150.874 -105.209 150.875 -214.543 GPRESSURE: 3266000 -217.568 105.601 -130.833 43.1776 -185.642 105.304 -159.638 160.673 -192.187 PRESSAVG: 3266000 33.1788 7.0575 -51.5583 7.05746 48.0528 53.1626 -51.5583 53.1627 -11.1456 GPRESSAVG: 3266000 35.1179 6.46618 -50.7965 8.81575 46.836 53.5472 -50.3562 53.5938 -12.0744 TIMING: 3266000 CPU: 9761.55, 0.00301136/step Wall: 9761.55, 0.00301136/step, 1.45047 hours remaining, 205.699219 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: 3266000 744.7150 2120.6969 1936.0010 120.3981 -205881.5854 17458.7167 0.0000 0.0000 34068.3867 -149432.6710 297.5277 -183501.0577 -149341.9733 299.4316 -231.7069 -198.4657 558438.5855 23.3620 23.2932 PRESSURE: 3266200 243.259 88.6065 110.926 88.6063 222.08 72.3002 110.926 72.3011 152.471 GPRESSURE: 3266200 226.45 129.282 58.9131 73.5489 270.195 77.9253 153.715 28.7716 237.065 PRESSAVG: 3266200 14.9172 39.7455 -10.4985 39.7456 -2.26514 25.9613 -10.4985 25.9612 -38.2581 GPRESSAVG: 3266200 14.3271 41.3168 -8.46377 38.0304 0.316494 27.1587 -11.863 23.1905 -39.2904 TIMING: 3266200 CPU: 9762.16, 0.00303026/step Wall: 9762.16, 0.00303026/step, 1.45941 hours remaining, 205.699219 MB of memory in use. ENERGY: 3266200 752.5192 2093.8032 1953.0420 111.2186 -206480.6316 18111.0848 0.0000 0.0000 34078.6345 -149380.3293 297.6172 -183458.9638 -149288.9025 298.2630 205.9367 244.5699 556136.6631 -8.5353 -8.2156 PRESSURE: 3266400 351.552 -176.139 24.99 -176.14 183.135 -63.6121 24.9893 -63.6111 216.325 GPRESSURE: 3266400 344.187 -145.57 -98.9355 -210.756 217.925 -83.2259 -4.83426 -71.97 287.937 PRESSAVG: 3266400 2.91588 27.5625 44.4954 27.5625 25.3158 20.6215 44.4954 20.6215 -32.6146 GPRESSAVG: 3266400 3.8561 25.457 42.3415 28.1163 23.7934 20.2101 46.9671 22.006 -31.8575 TIMING: 3266400 CPU: 9762.76, 0.00301516/step Wall: 9762.76, 0.00301516/step, 1.45197 hours remaining, 205.699219 MB of memory in use. ENERGY: 3266400 723.2851 2090.7179 1946.3010 110.6760 -206694.3469 18228.6797 0.0000 0.0000 34204.1205 -149390.5668 298.7131 -183594.6872 -149297.5920 298.3937 250.3374 283.3500 557473.9478 -1.4610 -1.4027 PRESSURE: 3266600 -207.412 78.9685 -70.5375 78.9681 -51.3192 -209.199 -70.5381 -209.2 8.25554 GPRESSURE: 3266600 -200.264 71.0946 -62.9282 71.8794 8.06599 -238.904 -108.417 -222.403 43.431 PRESSAVG: 3266600 2.16834 16.7772 6.64754 16.7773 -23.6921 -3.72998 6.64752 -3.7299 -0.347684 GPRESSAVG: 3266600 1.3471 17.0767 6.18155 15.973 -22.3079 -4.4 6.94007 -3.13597 -0.9743 TIMING: 3266600 CPU: 9763.37, 0.0030202/step Wall: 9763.37, 0.0030202/step, 1.45423 hours remaining, 205.699219 MB of memory in use. ENERGY: 3266600 783.3411 2117.9242 1926.6481 98.0747 -206230.9530 17783.9233 0.0000 0.0000 34237.2475 -149283.7941 299.0024 -183521.0416 -149186.1148 299.8719 -83.4920 -49.5889 558464.7128 -7.2905 -7.3117 PRESSURE: 3266800 -117.13 74.726 36.3362 74.7269 23.2276 -60.0288 36.3367 -60.0288 236.925 GPRESSURE: 3266800 -78.5854 21.9096 -22.5707 125.375 55.5494 -14.3713 49.6784 -145.43 267.756 PRESSAVG: 3266800 -64.42 -50.666 -28.7748 -50.6659 30.4509 11.6279 -28.7748 11.628 44.7247 GPRESSAVG: 3266800 -65.1227 -49.6199 -25.0074 -49.9905 31.1412 11.0763 -31.3667 10.4208 44.5904 TIMING: 3266800 CPU: 9763.97, 0.00300941/step Wall: 9763.97, 0.00300941/step, 1.44887 hours remaining, 205.699219 MB of memory in use. ENERGY: 3266800 749.2645 2064.4581 1969.6144 119.0057 -206096.7584 17772.7754 0.0000 0.0000 34317.8387 -149103.8017 299.7062 -183421.6403 -149011.2209 299.1654 47.6742 81.5733 557792.3086 3.5852 3.5363 PRESSURE: 3267000 -146.603 196.198 65.053 196.198 -354.837 210.107 65.0526 210.106 -26.1313 GPRESSURE: 3267000 -145.741 161.084 -36.6716 254.925 -322.721 168.301 101.163 225.336 38.3843 PRESSAVG: 3267000 -81.179 15.5416 -20.6053 15.5416 -33.9801 22.123 -20.6054 22.123 43.7323 GPRESSAVG: 3267000 -81.7275 14.9996 -24.7893 15.0698 -34.4583 22.0925 -17.5376 24.3451 44.4899 TIMING: 3267000 CPU: 9764.58, 0.00303033/step Wall: 9764.58, 0.00303033/step, 1.45877 hours remaining, 205.699219 MB of memory in use. ENERGY: 3267000 769.7570 2154.5925 1950.3963 109.9745 -206122.8425 17530.5567 0.0000 0.0000 34475.7808 -149131.7846 301.0856 -183607.5653 -149034.6534 299.4940 -175.8573 -143.3592 557809.7107 -23.8089 -23.8986 PRESSURE: 3267200 -103 151.831 21.9155 151.831 -50.5872 -64.2244 21.9165 -64.2244 -270.328 GPRESSURE: 3267200 -58.129 51.2415 -22.8835 200.363 -64.6925 -87.6123 107.938 -110.128 -213.702 PRESSAVG: 3267200 78.4919 42.455 26.2035 42.4549 -122.574 32.8414 26.2036 32.8414 110.129 GPRESSAVG: 3267200 79.3386 41.2405 27.6255 41.8307 -122.681 34.4808 25.5511 30.9119 109.376 TIMING: 3267200 CPU: 9765.17, 0.00299516/step Wall: 9765.17, 0.00299516/step, 1.44167 hours remaining, 205.699219 MB of memory in use. ENERGY: 3267200 778.6911 2032.4247 1951.7689 118.6668 -206068.0390 17717.5905 0.0000 0.0000 34428.0779 -149040.8191 300.6690 -183468.8970 -148935.8891 300.0796 -141.3052 -112.1745 558927.6317 22.0157 22.0112 PRESSURE: 3267400 319.473 -96.0027 5.46734 -96.0041 217.702 34.1233 5.46658 34.1248 9.21375 GPRESSURE: 3267400 357.662 -20.6189 68.3223 -166.562 228.359 122.689 -23.9128 -1.40507 58.3733 PRESSAVG: 3267400 11.1323 53.0298 13.596 53.0298 -14.6959 -23.8909 13.596 -23.8907 -9.1871 GPRESSAVG: 3267400 11.4174 54.8407 14.6506 52.5541 -15.1848 -24.1805 11.2845 -24.5591 -8.78968 TIMING: 3267400 CPU: 9765.78, 0.00304573/step Wall: 9765.78, 0.00304573/step, 1.46584 hours remaining, 205.699219 MB of memory in use. ENERGY: 3267400 743.6457 2116.4085 1941.5311 120.7099 -206224.0791 18061.8960 0.0000 0.0000 33935.1547 -149304.7332 296.3641 -183239.8879 -149203.1975 298.6074 182.1293 214.7982 559031.6201 -4.2502 -4.1857 PRESSURE: 3267600 -186.95 169.488 167.023 169.488 -235.817 43.641 167.022 43.6428 120.783 GPRESSURE: 3267600 -176.875 110.198 66.7211 176.438 -236.629 93.0649 250.468 -24.8053 198.004 PRESSAVG: 3267600 25.6392 27.045 -14.359 27.045 -14.4299 -40.343 -14.359 -40.3431 14.2782 GPRESSAVG: 3267600 25.3703 24.0349 -15.3463 28.6638 -14.9766 -40.4053 -11.7178 -40.6778 14.6888 TIMING: 3267600 CPU: 9766.39, 0.0030437/step Wall: 9766.39, 0.0030437/step, 1.4647 hours remaining, 205.699219 MB of memory in use. ENERGY: 3267600 741.1060 2120.4291 1932.2198 120.3598 -205832.1717 17606.7102 0.0000 0.0000 34238.8500 -149072.4968 299.0164 -183311.3468 -148969.5249 298.8204 -100.6613 -71.8333 558220.6097 8.4959 8.3608 PRESSURE: 3267800 -305.881 72.4927 46.0518 72.4937 57.5564 9.69651 46.051 9.6963 -147.706 GPRESSURE: 3267800 -220.169 101.947 -10.287 88.5319 74.2262 -21.602 56.3374 66.6638 -165.674 PRESSAVG: 3267800 16.8703 46.7792 5.16217 46.7791 -33.0222 5.96854 5.16223 5.96864 37.7109 GPRESSAVG: 3267800 15.1854 47.4832 6.9162 46.695 -32.529 5.0942 5.17855 7.54553 38.8639 TIMING: 3267800 CPU: 9767, 0.00303007/step Wall: 9767, 0.00303007/step, 1.45797 hours remaining, 205.699219 MB of memory in use. ENERGY: 3267800 751.5662 2104.0744 1921.6609 122.3788 -205987.3567 17819.5445 0.0000 0.0000 34111.7690 -149156.3631 297.9066 -183268.1320 -149062.9090 299.5852 -132.0102 -103.8722 558186.0081 7.1863 7.1734 PRESSURE: 3268000 23.9219 -10.0701 106.79 -10.0704 -262.294 111.28 106.791 111.281 -52.3169 GPRESSURE: 3268000 28.8978 -73.9519 134.182 19.8373 -250.002 89.993 68.7433 74.7888 27.0515 PRESSAVG: 3268000 32.6102 -63.6566 40.7706 -63.6567 -44.525 34.76 40.7706 34.7601 24.7843 GPRESSAVG: 3268000 34.1494 -63.2054 40.699 -65.7428 -44.2328 33.1105 39.7324 36.4746 23.4601 TIMING: 3268000 CPU: 9767.61, 0.00305195/step Wall: 9767.61, 0.00305195/step, 1.46833 hours remaining, 205.699219 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: 3268000 732.6049 2073.2028 1937.1979 113.7235 -206103.8176 17781.5887 0.0000 0.0000 34306.9900 -149158.5100 299.6115 -183465.4999 -149061.5319 299.1066 -96.8963 -64.6842 557403.0351 4.2898 4.4589 PRESSURE: 3268200 -252.927 86.9007 5.44144 86.8999 -193.259 68.0288 5.44162 68.0285 -146.865 GPRESSURE: 3268200 -211.725 21.6921 0.0372246 154.326 -215.78 -60.2515 93.729 165.997 -70.2242 PRESSAVG: 3268200 -13.0091 46.32 33.7059 46.32 8.09263 3.72067 33.7059 3.72063 20.2391 GPRESSAVG: 3268200 -11.713 47.6885 33.0431 46.4481 6.40418 4.51139 33.5415 2.79997 20.7106 TIMING: 3268200 CPU: 9768.21, 0.00302354/step Wall: 9768.21, 0.00302354/step, 1.45449 hours remaining, 205.699219 MB of memory in use. ENERGY: 3268200 747.6411 2111.0673 1947.4603 115.1484 -205917.0795 17519.3936 0.0000 0.0000 34318.8679 -149157.5010 299.7152 -183476.3688 -149053.3832 299.5692 -197.6837 -165.9097 557305.3785 5.1075 5.1339 LDB: ============= START OF LOAD BALANCING ============== 9771.65 LDB: ============== END OF LOAD BALANCING =============== 9771.65 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9771.65 LDB: ============= START OF LOAD BALANCING ============== 9771.96 LDB: Largest compute 4819 load 0.026739 is 22.6% of average load 0.118089 LDB: Average compute 0.001739 is 1.5% of average load 0.118089 LDB: TIME 9771.96 LOAD: AVG 0.118089 MAX 0.214918 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.188 MB LDB: TIME 9771.96 LOAD: AVG 0.118089 MAX 0.214918 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.25 MB LDB: TIME 9771.96 LOAD: AVG 0.118089 MAX 0.214918 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.25 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9771.96 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9771.97 PRESSURE: 3268400 -200.475 40.2826 -134.231 40.2812 -88.6968 -37.5181 -134.231 -37.5181 -45.6892 GPRESSURE: 3268400 -153.51 78.4656 -141.858 15.0675 -96.5512 -114.962 -134.537 12.85 33.4581 PRESSAVG: 3268400 -52.399 22.3446 1.93254 22.3445 0.894314 25.5903 1.93259 25.5902 45.2462 GPRESSAVG: 3268400 -53.0267 22.0301 0.982493 24.8374 2.56726 27.6065 1.91348 25.5445 44.871 TIMING: 3268400 CPU: 9768.84, 0.00313308/step Wall: 9768.84, 0.00313308/step, 1.50701 hours remaining, 207.171875 MB of memory in use. ENERGY: 3268400 772.1405 2038.7945 1967.1187 106.8952 -206002.1310 17610.6772 0.0000 0.0000 34342.4246 -149164.0801 299.9209 -183506.5047 -149061.1279 299.8315 -111.6202 -72.2009 557423.9841 -2.0861 -1.8628 PRESSURE: 3268600 33.6348 -25.4538 104.611 -25.4555 97.016 24.1204 104.61 24.1205 -102.76 GPRESSURE: 3268600 110.693 -16.9929 64.58 60.4134 79.9065 70.1726 126.374 -30.2359 -48.6004 PRESSAVG: 3268600 -83.2793 2.81124 18.5044 2.81124 21.0574 23.2386 18.5045 23.2387 64.8415 GPRESSAVG: 3268600 -83.2835 1.69526 18.9695 2.51999 20.7915 23.2896 19.0876 21.0903 65.3985 TIMING: 3268600 CPU: 9769.45, 0.00305382/step Wall: 9769.45, 0.00305382/step, 1.46872 hours remaining, 207.171875 MB of memory in use. ENERGY: 3268600 746.0242 2134.2715 1974.1558 114.8050 -206501.1710 17780.7697 0.0000 0.0000 34424.3762 -149326.7685 300.6366 -183751.1447 -149236.9346 299.4662 9.2971 47.3330 556071.4732 0.8732 0.9688 PRESSURE: 3268800 34.1512 -87.808 -92.6168 -87.8099 182.491 -77.5994 -92.6176 -77.5973 -121.951 GPRESSURE: 3268800 96.6209 -57.3798 -90.1112 -23.0464 149.038 -68.9928 -81.6077 -64.591 -41.8561 PRESSAVG: 3268800 -44.7532 -10.1563 12.0993 -10.1563 36.997 0.279624 12.0993 0.279626 36.8609 GPRESSAVG: 3268800 -45.1471 -9.69515 11.9959 -11.3998 36.3018 -1.80253 11.7144 1.51553 37.8554 TIMING: 3268800 CPU: 9770.06, 0.00304561/step Wall: 9770.06, 0.00304561/step, 1.4646 hours remaining, 207.226562 MB of memory in use. ENERGY: 3268800 734.7047 2127.2644 1972.4983 115.2363 -206496.0724 18127.3184 0.0000 0.0000 34158.3948 -149260.6555 298.3138 -183419.0503 -149166.8849 298.4446 31.5636 67.9344 558643.4363 9.7016 9.6700 PRESSURE: 3269000 -108.053 192.075 -34.4486 192.075 -32.6144 10.833 -34.4483 10.8337 19.2995 GPRESSURE: 3269000 -124.044 193.951 -95.2804 91.2369 70.8029 -39.3529 -46.2307 28.7028 38.4943 PRESSAVG: 3269000 -43.1572 10.8291 -13.2975 10.8291 31.6841 13.8131 -13.2975 13.8131 28.8607 GPRESSAVG: 3269000 -44.5097 11.1095 -13.6472 10.1161 32.2599 15.425 -12.6268 14.0495 30.3268 TIMING: 3269000 CPU: 9770.67, 0.00303369/step Wall: 9770.67, 0.00303369/step, 1.4587 hours remaining, 207.226562 MB of memory in use. ENERGY: 3269000 744.6158 2061.7129 1947.9926 108.2200 -206143.4414 17747.6646 0.0000 0.0000 34167.1811 -149366.0545 298.3905 -183533.2356 -149269.9295 298.1335 -40.4561 -4.9158 558657.7938 5.7958 6.0257 PRESSURE: 3269200 -176.519 66.3256 -113.708 66.3249 147.78 -48.3999 -113.708 -48.4017 -90.4374 GPRESSURE: 3269200 -120.522 121.09 -192.528 19.83 168.666 -97.0131 -89.3439 -37.3381 -66.3258 PRESSAVG: 3269200 -12.7219 -16.9744 -20.2538 -16.9744 13.2652 12.044 -20.2537 12.044 36.6019 GPRESSAVG: 3269200 -13.1672 -17.1384 -20.2815 -15.9958 14.4672 10.1925 -21.6604 12.9876 36.0375 TIMING: 3269200 CPU: 9771.27, 0.00299966/step Wall: 9771.27, 0.00299966/step, 1.44217 hours remaining, 207.226562 MB of memory in use. ENERGY: 3269200 776.3384 2050.9238 1951.5798 115.2559 -206331.2092 17977.1401 0.0000 0.0000 34286.8582 -149173.1131 299.4357 -183459.9712 -149074.8874 298.9068 -39.7255 -6.0608 558064.7655 12.3817 12.4458 PRESSURE: 3269400 -39.6247 34.7498 -51.1603 34.7505 -158.319 76.0304 -51.1613 76.0323 49.5964 GPRESSURE: 3269400 33.1702 -17.5176 -40.4599 66.7924 -117.938 157.669 -74.0592 31.5465 37.7267 PRESSAVG: 3269400 -20.3729 20.0258 -28.5596 20.0259 -36.4568 -2.65355 -28.5597 -2.65359 37.2485 GPRESSAVG: 3269400 -18.5095 19.162 -29.6605 20.0466 -36.9262 0.273865 -25.5335 -3.47855 35.862 TIMING: 3269400 CPU: 9771.87, 0.00303959/step Wall: 9771.87, 0.00303959/step, 1.4612 hours remaining, 207.226562 MB of memory in use. ENERGY: 3269400 755.0792 2101.1669 1956.2692 114.9521 -205953.0930 17684.3146 0.0000 0.0000 34110.6754 -149230.6355 297.8970 -183341.3109 -149137.4724 299.4592 -49.4491 -15.6804 558722.7062 -6.5271 -6.5245 PRESSURE: 3269600 -27.6244 61.108 -5.28959 61.1083 1.08801 80.9761 -5.28956 80.977 -67.6678 GPRESSURE: 3269600 -4.22564 94.3004 -18.1749 19.9658 49.9772 17.0084 -52.8886 67.6626 -29.8931 PRESSAVG: 3269600 28.7166 -16.7748 8.86714 -16.7748 -25.7575 29.5964 8.86717 29.5964 -33.3715 GPRESSAVG: 3269600 28.2411 -15.5586 10.7567 -16.9654 -26.141 29.0605 6.58789 29.4731 -32.3423 TIMING: 3269600 CPU: 9772.47, 0.00299117/step Wall: 9772.47, 0.00299117/step, 1.43775 hours remaining, 207.226562 MB of memory in use. ENERGY: 3269600 733.3946 2090.7860 1956.9938 128.1777 -206332.1226 17821.9852 0.0000 0.0000 34140.9426 -149459.8427 298.1613 -183600.7853 -149369.0427 298.8999 -31.4014 5.2862 558203.6990 -10.1375 -10.0807 PRESSURE: 3269800 32.187 -5.01443 2.71895 -5.01511 -266.802 48.0826 2.71958 48.083 -39.3617 GPRESSURE: 3269800 60.5426 -43.612 -83.6248 -41.0066 -203.557 37.2465 -49.7952 -14.6524 -29.1233 PRESSAVG: 3269800 14.8793 4.68695 -44.5975 4.68692 -38.0036 -24.5936 -44.5976 -24.5935 30.2966 GPRESSAVG: 3269800 15.17 3.80031 -41.9881 5.70062 -38.9031 -25.6625 -48.4119 -23.4166 30.9192 TIMING: 3269800 CPU: 9773.08, 0.00301593/step Wall: 9773.08, 0.00301593/step, 1.44949 hours remaining, 207.226562 MB of memory in use. ENERGY: 3269800 755.2200 2059.6516 1942.5554 116.1293 -206292.3757 17813.8766 0.0000 0.0000 34080.6713 -149524.2714 297.6350 -183604.9427 -149433.0643 298.6814 -91.3255 -57.3794 557525.1948 2.3908 2.3954 PRESSURE: 3270000 -340.571 -68.0209 -184.334 -68.0204 -212.215 116.041 -184.334 116.042 -25.4613 GPRESSURE: 3270000 -257.482 -93.2168 -183.208 -37.4439 -191.009 116.55 -170.855 164.608 -15.9719 PRESSAVG: 3270000 4.63109 -21.6766 2.67333 -21.6765 -2.05797 -27.396 2.67329 -27.396 23.2356 GPRESSAVG: 3270000 4.23901 -22.1338 -2.63422 -23.2005 -0.658429 -26.1491 8.64366 -30.4656 21.7595 TIMING: 3270000 CPU: 9773.68, 0.00301846/step Wall: 9773.68, 0.00301846/step, 1.45054 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: 3270000 727.3782 2102.6234 1978.7477 129.9709 -205775.1982 17445.4230 0.0000 0.0000 34104.3582 -149286.6969 297.8418 -183391.0550 -149196.0239 299.2177 -192.7493 -154.8212 557675.4942 8.6029 8.4467 PRESSURE: 3270200 -88.5792 218.021 -5.18827 218.022 -87.7382 -118.463 -5.18757 -118.463 -151.457 GPRESSURE: 3270200 -3.75641 177.695 -27.2677 157.933 -62.5277 -176.669 8.34597 -104.922 -159.461 PRESSAVG: 3270200 -4.18501 37.7516 22.1143 37.7516 -42.9606 -1.35839 22.1143 -1.35841 12.7425 GPRESSAVG: 3270200 -4.4126 39.0607 23.2395 37.5553 -42.6878 -0.269894 22.167 0.271879 12.7339 TIMING: 3270200 CPU: 9774.28, 0.00302291/step Wall: 9774.28, 0.00302291/step, 1.45251 hours remaining, 207.226562 MB of memory in use. ENERGY: 3270200 733.4463 2057.1396 1946.3811 111.9247 -205983.5515 17678.0322 0.0000 0.0000 34146.8112 -149309.8165 298.2126 -183456.6277 -149220.0580 298.8345 -109.2582 -75.2484 559362.4790 -11.4677 -11.4555 PRESSURE: 3270400 -31.6144 -77.5495 78.0563 -77.5514 144.459 -144.265 78.057 -144.264 3.20767 GPRESSURE: 3270400 28.5083 -104.202 64.2581 -20.0667 86.9716 -168.871 112.452 -218.501 98.1565 PRESSAVG: 3270400 21.2131 10.7071 21.3531 10.7071 40.6367 -1.97649 21.3531 -1.97645 -23.9508 GPRESSAVG: 3270400 21.7255 9.71585 23.0595 10.8465 39.4735 -1.08009 19.5618 -2.91983 -24.271 TIMING: 3270400 CPU: 9774.89, 0.003007/step Wall: 9774.89, 0.003007/step, 1.44469 hours remaining, 207.226562 MB of memory in use. ENERGY: 3270400 747.5511 2070.2511 1937.2064 116.6320 -206409.7866 17905.5003 0.0000 0.0000 34259.3030 -149373.3427 299.1950 -183632.6457 -149276.6019 299.3682 38.6842 71.2121 557931.4467 12.6330 12.3093 PRESSURE: 3270600 -27.8284 -62.7209 193.591 -62.7197 131.604 -15.3164 193.591 -15.3143 26.2069 GPRESSURE: 3270600 55.2807 -110.482 320.795 -37.433 153.429 -40.2859 45.7663 -118.45 21.9096 PRESSAVG: 3270600 -9.06714 -36.6788 59.1059 -36.6787 -31.3255 -57.1506 59.1059 -57.1506 11.7024 GPRESSAVG: 3270600 -8.50114 -37.6597 58.1422 -33.9443 -30.6503 -59.3696 59.4386 -56.7055 10.7836 TIMING: 3270600 CPU: 9775.49, 0.00300842/step Wall: 9775.49, 0.00300842/step, 1.44521 hours remaining, 207.226562 MB of memory in use. ENERGY: 3270600 726.2936 2079.4625 1946.8774 106.1487 -206372.0706 18024.6432 0.0000 0.0000 34158.5041 -149330.1410 298.3147 -183488.6451 -149231.5688 298.8080 43.3277 76.8732 559140.7345 -9.5634 -9.4559 PRESSURE: 3270800 42.6745 117.206 -58.3618 117.206 -83.8848 -36.8904 -58.3629 -36.8914 99.819 GPRESSURE: 3270800 136.98 195.264 -48.5941 179.355 -79.8591 56.1707 -90.9062 -71.1777 107.611 PRESSAVG: 3270800 31.4894 -25.1353 13.4526 -25.1353 -48.2781 -16.3635 13.4526 -16.3636 26.6622 GPRESSAVG: 3270800 30.1299 -21.3447 14.4199 -30.1102 -48.9336 -14.9004 15.3485 -15.2079 28.5242 TIMING: 3270800 CPU: 9776.09, 0.00301053/step Wall: 9776.09, 0.00301053/step, 1.44606 hours remaining, 207.367188 MB of memory in use. ENERGY: 3270800 741.1613 2041.7698 1945.0939 109.5812 -205872.6000 17749.9214 0.0000 0.0000 34183.3300 -149101.7423 298.5315 -183285.0723 -149001.2667 298.9026 19.5362 54.9107 558001.7502 3.2911 3.2401 PRESSURE: 3271000 -98.3116 111.283 39.2283 111.284 46.6502 51.4148 39.2266 51.4134 -103.864 GPRESSURE: 3271000 -106.773 37.9966 85.0406 147.051 90.8788 15.6393 42.228 31.6715 -70.3436 PRESSAVG: 3271000 -20.8446 -46.6886 21.1064 -46.6885 39.7256 -21.8552 21.1064 -21.8552 -50.133 GPRESSAVG: 3271000 -19.7995 -48.1625 22.2018 -43.7921 40.1165 -22.9922 18.1065 -22.6981 -51.1219 TIMING: 3271000 CPU: 9776.7, 0.00304047/step Wall: 9776.7, 0.00304047/step, 1.46027 hours remaining, 207.367188 MB of memory in use. ENERGY: 3271000 776.2520 2092.0905 1958.9544 120.6331 -206160.0133 17915.3151 0.0000 0.0000 34136.5786 -149160.1897 298.1232 -183296.7683 -149064.1605 299.4277 -51.8418 -28.7461 558532.5315 -10.4173 -10.2683 PRESSURE: 3271200 15.4369 -125.967 54.0596 -125.966 -259.934 66.9526 54.0602 66.9503 82.6459 GPRESSURE: 3271200 50.0012 -137.601 97.3849 -121.248 -214.878 49.0778 63.4099 26.2136 103.009 PRESSAVG: 3271200 14.333 -22.7028 26.0094 -22.7028 -31.0504 -17.5399 26.0093 -17.5398 23.086 GPRESSAVG: 3271200 14.7055 -24.5089 24.4753 -22.1841 -31.6684 -17.2698 28.8602 -18.1242 23.4198 TIMING: 3271200 CPU: 9777.3, 0.00301436/step Wall: 9777.3, 0.00301436/step, 1.44756 hours remaining, 207.367188 MB of memory in use. ENERGY: 3271200 744.4758 2041.3207 1984.0678 119.1634 -206404.3835 17957.3994 0.0000 0.0000 34217.6985 -149340.2578 298.8317 -183557.9563 -149248.1335 299.3809 -53.9503 -20.6225 559609.5254 2.1229 2.1523 PRESSURE: 3271400 15.163 158.625 112.455 158.625 -54.1882 -67.4786 112.456 -67.4797 -121.408 GPRESSURE: 3271400 9.64905 119.767 16.5332 130.865 16.9861 -36.0386 -18.1106 -74.0985 -91.5828 PRESSAVG: 3271400 93.5722 13.0237 -37.9455 13.0237 -65.4229 -57.09 -37.9455 -57.0901 -41.0189 GPRESSAVG: 3271400 92.623 13.5889 -36.6093 12.5849 -65.0161 -57.9036 -41.1337 -55.3937 -41.3135 TIMING: 3271400 CPU: 9777.9, 0.00300177/step Wall: 9777.9, 0.00300177/step, 1.44135 hours remaining, 207.367188 MB of memory in use. ENERGY: 3271400 704.7861 2053.8374 1943.5063 114.7293 -205862.3935 17606.7422 0.0000 0.0000 34173.5381 -149265.2541 298.4460 -183438.7922 -149157.5887 298.8199 -53.4778 -21.6492 558114.3110 -4.2899 -4.5689 PRESSURE: 3271600 -18.398 -60.9601 -53.3511 -60.9608 -180.769 66.2752 -53.3508 66.2763 -150.338 GPRESSURE: 3271600 24.4867 -29.2439 -17.0327 -22.4996 -155.116 33.5907 -66.9027 114.178 -114.783 PRESSAVG: 3271600 -25.527 12.1434 9.61776 12.1434 -4.35191 23.2221 9.61764 23.2219 45.6017 GPRESSAVG: 3271600 -24.517 12.3172 9.05366 10.2663 -4.40774 25.5494 13.5079 21.4622 45.073 TIMING: 3271600 CPU: 9778.5, 0.00301148/step Wall: 9778.5, 0.00301148/step, 1.44585 hours remaining, 207.367188 MB of memory in use. ENERGY: 3271600 752.1086 2107.1684 1967.0715 123.0869 -206096.7531 17691.8903 0.0000 0.0000 34207.3629 -149248.0646 298.7414 -183455.4275 -149154.4069 299.0870 -116.5017 -81.8043 557281.8927 5.2409 5.3827 PRESSURE: 3271800 -3.6758 -139.63 -74.4219 -139.629 11.4313 36.4654 -74.4213 36.4654 -109.319 GPRESSURE: 3271800 -39.7608 -173.905 -80.3619 -116.355 96.2111 -20.0449 -39.4497 -14.2993 -65.9806 PRESSAVG: 3271800 45.2703 -41.6185 -4.97631 -41.6184 -17.2134 -12.4186 -4.97632 -12.4186 -61.2083 GPRESSAVG: 3271800 45.0511 -40.9282 -3.25861 -42.6394 -17.0688 -14.4968 -6.79646 -12.5362 -61.1005 TIMING: 3271800 CPU: 9779.11, 0.00304047/step Wall: 9779.11, 0.00304047/step, 1.45959 hours remaining, 207.367188 MB of memory in use. ENERGY: 3271800 718.7203 2117.3009 1975.9503 125.6404 -206027.2841 17643.7739 0.0000 0.0000 34147.6035 -149298.2949 298.2195 -183445.8984 -149203.8286 298.6324 -33.8546 -3.1768 555822.7127 -11.0505 -11.0394 PRESSURE: 3272000 -11.4303 2.48219 58.6367 2.48198 -31.841 -35.4753 58.6345 -35.476 -185.601 GPRESSURE: 3272000 -48.5968 61.4655 53.9624 -78.3415 30.2146 -9.78267 108.232 -86.5896 -117.627 PRESSAVG: 3272000 55.8334 -41.4206 -8.14463 -41.4207 14.0868 -56.542 -8.14465 -56.542 -84.8753 GPRESSAVG: 3272000 55.6094 -43.3171 -8.06888 -39.294 14.1626 -54.0789 -6.35791 -56.0972 -84.8009 TIMING: 3272000 CPU: 9779.71, 0.003009/step Wall: 9779.71, 0.003009/step, 1.44432 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: 3272000 823.3843 2058.9017 1922.0110 117.8944 -206266.4331 17778.9789 0.0000 0.0000 34100.2376 -149465.0253 297.8059 -183565.2629 -149367.2472 298.7102 -76.2908 -45.3363 556825.3372 -4.9850 -5.0096 PRESSURE: 3272200 76.7852 76.2255 51.5782 76.2249 119.552 -58.054 51.5775 -58.0537 -451.306 GPRESSURE: 3272200 103.31 69.7772 56.192 111.76 148.073 -81.573 7.33741 -58.68 -397.298 PRESSAVG: 3272200 33.4756 -3.51238 11.3322 -3.5124 35.8517 -38.7517 11.3322 -38.7517 -38.0969 GPRESSAVG: 3272200 32.6065 -1.70921 10.8011 -2.79547 35.4492 -41.3137 8.75243 -39.5472 -36.885 TIMING: 3272200 CPU: 9780.32, 0.00301847/step Wall: 9780.32, 0.00301847/step, 1.4487 hours remaining, 207.367188 MB of memory in use. ENERGY: 3272200 720.8478 2043.7753 1939.5138 105.6046 -205854.5854 17576.9510 0.0000 0.0000 34152.4813 -149315.4116 298.2621 -183467.8928 -149217.5703 298.1960 -84.9895 -48.6380 556877.3127 10.4101 10.3902 LDB: ============= START OF LOAD BALANCING ============== 9783.75 LDB: ============== END OF LOAD BALANCING =============== 9783.75 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9783.75 LDB: ============= START OF LOAD BALANCING ============== 9784.05 LDB: Largest compute 4819 load 0.028072 is 23.8% of average load 0.118036 LDB: Average compute 0.001744 is 1.5% of average load 0.118036 LDB: TIME 9784.05 LOAD: AVG 0.118036 MAX 0.211303 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.969 MB LDB: TIME 9784.05 LOAD: AVG 0.118036 MAX 0.211303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.969 MB LDB: TIME 9784.05 LOAD: AVG 0.118036 MAX 0.211303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.969 MB LDB: ============== END OF LOAD BALANCING =============== 9784.05 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9784.06 PRESSURE: 3272400 165.597 137.49 14.4544 137.491 -9.6571 80.6716 14.4553 80.6725 -325.766 GPRESSURE: 3272400 197.173 66.756 91.3144 144.129 -5.71436 126.044 -31.6503 34.7226 -262.054 PRESSAVG: 3272400 -7.40969 -1.22963 13.362 -1.22957 26.3565 -21.2251 13.362 -21.2252 -31.6196 GPRESSAVG: 3272400 -6.91474 -2.92491 11.2275 -0.237379 26.0771 -21.0904 14.6948 -18.9448 -32.3673 TIMING: 3272400 CPU: 9780.93, 0.00306627/step Wall: 9780.93, 0.00306627/step, 1.47147 hours remaining, 206.710938 MB of memory in use. ENERGY: 3272400 773.8297 2066.1870 1944.8757 115.1491 -206276.1832 17842.4985 0.0000 0.0000 34131.1238 -149402.5194 298.0756 -183533.6432 -149307.3943 298.5187 -56.6087 -23.5318 556962.9603 -4.2242 -4.4017 PRESSURE: 3272600 66.0477 -66.6877 -212.7 -66.6882 186.781 -11.3874 -212.701 -11.3864 69.2458 GPRESSURE: 3272600 74.2569 -148.037 -261.875 -121.862 217.802 58.0737 -175.099 41.984 125.997 PRESSAVG: 3272600 47.3805 0.498603 -4.3359 0.498666 55.2846 0.0484991 -4.33584 0.0484785 -88.9042 GPRESSAVG: 3272600 47.5728 0.210315 -1.92675 1.3434 54.2436 1.34712 -4.75138 -0.859346 -88.3301 TIMING: 3272600 CPU: 9781.53, 0.00301624/step Wall: 9781.53, 0.00301624/step, 1.44729 hours remaining, 206.781250 MB of memory in use. ENERGY: 3272600 714.3588 2089.5640 1951.4768 111.7458 -206343.0238 17759.9461 0.0000 0.0000 34326.1521 -149389.7802 299.7788 -183715.9323 -149288.9609 299.2005 107.3581 139.3520 555957.3122 4.5869 4.4954 PRESSURE: 3272800 143.549 62.255 7.14873 62.2533 -113.984 177.502 7.14836 177.501 -98.6463 GPRESSURE: 3272800 160.592 86.0352 -67.3892 74.4832 -80.9686 200.875 53.7975 159.907 -46.8282 PRESSAVG: 3272800 -30.7089 -13.9443 -8.12942 -13.9443 5.88796 -9.17848 -8.12943 -9.17839 31.8949 GPRESSAVG: 3272800 -31.3483 -11.6234 -9.00484 -15.9664 7.12452 -9.1589 -8.5914 -10.5955 31.2144 TIMING: 3272800 CPU: 9782.14, 0.00302643/step Wall: 9782.14, 0.00302643/step, 1.45201 hours remaining, 206.781250 MB of memory in use. ENERGY: 3272800 763.6283 2085.8862 1969.9067 105.9378 -205987.1050 17749.6402 0.0000 0.0000 34268.3180 -149043.7878 299.2737 -183312.1058 -148954.3635 299.4920 -23.0270 10.9318 558649.3291 2.3580 2.3302 PRESSURE: 3273000 -389.91 192.964 -65.5113 192.964 20.5435 -240.178 -65.5115 -240.179 -134.269 GPRESSURE: 3273000 -355.114 209.613 -4.25686 140.436 0.407926 -254.851 -26.2161 -194.135 -31.9372 PRESSAVG: 3273000 1.14905 35.6053 -37.7564 35.6053 44.9676 -31.3859 -37.7564 -31.3858 -14.5107 GPRESSAVG: 3273000 3.01599 34.3586 -38.7397 35.4485 43.5847 -32.8869 -37.3291 -30.2783 -14.5583 TIMING: 3273000 CPU: 9782.75, 0.00303617/step Wall: 9782.75, 0.00303617/step, 1.45652 hours remaining, 206.781250 MB of memory in use. ENERGY: 3273000 758.5672 2062.3712 1972.2381 122.1002 -205815.5463 17689.9799 0.0000 0.0000 34035.2303 -149175.0595 297.2381 -183210.2898 -149087.3552 298.7117 -167.8785 -128.8812 558032.0988 10.5353 10.6808 PRESSURE: 3273200 -108.81 -5.90157 -167.07 -5.90082 -168.633 -95.2219 -167.071 -95.2225 -220.123 GPRESSURE: 3273200 -3.04302 -115.676 -116.962 79.2689 -105.788 -133.38 -155.379 -40.6956 -287.743 PRESSAVG: 3273200 35.6321 -9.15924 30.394 -9.15934 -8.57146 -45.3891 30.394 -45.3891 -17.1116 GPRESSAVG: 3273200 33.1802 -9.68471 31.8662 -9.31904 -7.5658 -45.0011 30.1717 -45.9492 -16.1884 TIMING: 3273200 CPU: 9783.35, 0.00303907/step Wall: 9783.35, 0.00303907/step, 1.45774 hours remaining, 206.781250 MB of memory in use. ENERGY: 3273200 723.6637 2051.7015 1988.5333 116.0983 -206064.4538 17500.0267 0.0000 0.0000 34498.9192 -149185.5111 301.2876 -183684.4302 -149089.4692 299.3425 -165.8554 -132.1915 555767.9343 3.3163 3.1420 PRESSURE: 3273400 215.765 110.37 95.1778 110.371 -69.2356 -212.985 95.178 -212.986 -326.372 GPRESSURE: 3273400 206.097 37.6001 84.936 219.284 18.0206 -105.963 82.8157 -186.686 -318.953 PRESSAVG: 3273400 40.7781 -6.95454 -57.398 -6.95449 -31.1285 -39.5815 -57.3978 -39.5815 -30.6691 GPRESSAVG: 3273400 41.525 -4.41737 -60.4692 -7.73622 -30.1732 -38.7881 -55.9399 -38.6505 -32.3515 TIMING: 3273400 CPU: 9783.97, 0.00308395/step Wall: 9783.97, 0.00308395/step, 1.4791 hours remaining, 206.781250 MB of memory in use. ENERGY: 3273400 733.0433 2122.2680 1965.4426 113.7527 -205884.6611 17668.6991 0.0000 0.0000 34142.0216 -149139.4337 298.1708 -183281.4553 -149045.0664 299.5391 -59.9474 -31.6118 557869.3174 -7.0065 -6.9999 PRESSURE: 3273600 -216.58 110.256 -109.294 110.256 472.285 39.4496 -109.293 39.4485 -146.456 GPRESSURE: 3273600 -165.742 125.827 -111.492 151.374 477.35 78.912 -150.369 28.5608 -110.137 PRESSAVG: 3273600 26.0014 70.4668 29.7672 70.4668 98.4676 -34.0326 29.7672 -34.0327 -29.4046 GPRESSAVG: 3273600 26.9814 70.9741 32.9512 70.538 96.9323 -32.9669 25.6971 -33.7274 -29.0421 TIMING: 3273600 CPU: 9784.58, 0.00305938/step Wall: 9784.58, 0.00305938/step, 1.46714 hours remaining, 206.781250 MB of memory in use. ENERGY: 3273600 745.4064 2076.5522 1953.5312 108.8027 -206224.7348 17907.7746 0.0000 0.0000 34391.3279 -149041.3397 300.3480 -183432.6677 -148951.5394 298.8974 36.4163 67.1572 557376.6744 31.6881 31.6239 PRESSURE: 3273800 -89.4251 150.359 10.1446 150.358 230.347 -39.3277 10.145 -39.3268 -166.493 GPRESSURE: 3273800 -37.9033 168.861 58.975 121.019 232.851 -7.75483 29.1359 -86.29 -118.012 PRESSAVG: 3273800 -14.1548 17.5674 15.519 17.5673 112.048 17.0443 15.519 17.0442 -102.795 GPRESSAVG: 3273800 -14.3924 18.5472 15.819 19.3206 112.204 14.3954 16.8023 18.1637 -102.594 TIMING: 3273800 CPU: 9785.2, 0.00306992/step Wall: 9785.2, 0.00306992/step, 1.47203 hours remaining, 206.781250 MB of memory in use. ENERGY: 3273800 759.3571 2113.4334 1951.6292 114.6020 -206339.6635 17876.8055 0.0000 0.0000 34504.1456 -149019.6907 301.3333 -183523.8363 -148924.6223 300.1934 -8.5238 25.6453 559162.3546 -1.6340 -1.5940 PRESSURE: 3274000 -135.295 0.803729 -102.658 0.803015 -176.08 111.43 -102.657 111.43 -337.339 GPRESSURE: 3274000 -127.288 65.258 -99.0662 -83.9357 -184.668 52.2399 -63.9125 112.619 -235.745 PRESSAVG: 3274000 34.7906 -28.7687 -26.2329 -28.7686 32.9095 47.135 -26.2331 47.1349 -63.2001 GPRESSAVG: 3274000 33.9487 -32.0473 -27.1303 -29.9047 34.4129 47.4199 -25.8717 45.0487 -63.7303 TIMING: 3274000 CPU: 9785.81, 0.003061/step Wall: 9785.81, 0.003061/step, 1.46758 hours remaining, 206.781250 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: 3274000 746.9859 2100.6045 1961.3911 108.0698 -205795.1078 17567.6883 0.0000 0.0000 34256.1844 -149054.1837 299.1678 -183310.3681 -148949.0139 300.0027 -216.2381 -182.5669 556848.5483 1.5000 1.5438 PRESSURE: 3274200 73.7731 -54.1355 34.4662 -54.135 65.09 -15.3967 34.4656 -15.3982 183.293 GPRESSURE: 3274200 191.777 -81.7907 127.625 -98.958 78.3908 43.2303 2.04603 -59.8283 151.471 PRESSAVG: 3274200 25.9195 1.90559 -39.2752 1.9056 25.8201 11.2105 -39.2752 11.2104 -36.7814 GPRESSAVG: 3274200 25.7602 1.97597 -38.0814 3.1195 25.2574 14.1127 -38.8023 11.6402 -35.9299 TIMING: 3274200 CPU: 9786.42, 0.00306535/step Wall: 9786.42, 0.00306535/step, 1.46949 hours remaining, 206.781250 MB of memory in use. ENERGY: 3274200 793.1463 2098.0200 1976.5727 108.4053 -206363.8790 17917.9852 0.0000 0.0000 34449.0161 -149020.7334 300.8518 -183469.7495 -148928.4924 299.8980 107.3854 140.5461 556853.9803 4.9861 5.0293 PRESSURE: 3274400 6.82655 34.3943 17.9549 34.394 -129.199 99.4788 17.9555 99.4804 -26.3526 GPRESSURE: 3274400 7.65733 94.9734 56.8949 -21.6404 -88.8474 64.6069 58.997 187.383 26.2035 PRESSAVG: 3274400 -21.6403 14.7261 -9.71444 14.7262 15.7832 -11.629 -9.71459 -11.6289 54.8959 GPRESSAVG: 3274400 -20.2125 16.2642 -10.6924 12.2319 14.7313 -11.7046 -9.53384 -10.517 54.451 TIMING: 3274400 CPU: 9787.03, 0.00306739/step Wall: 9787.03, 0.00306739/step, 1.4703 hours remaining, 206.781250 MB of memory in use. ENERGY: 3274400 770.1687 2063.0791 1947.8704 122.7631 -205725.0377 17581.6454 0.0000 0.0000 34409.6635 -148829.8475 300.5082 -183239.5110 -148731.1472 299.8960 -49.5749 -18.3289 558106.0445 16.3463 16.3233 PRESSURE: 3274600 -101.25 163.706 -67.0395 163.707 -107.936 -5.21875 -67.0394 -5.21906 -24.9621 GPRESSURE: 3274600 -12.9929 102.762 -14.1044 141.161 -81.0558 -21.6382 -104.576 18.809 -46.0525 PRESSAVG: 3274600 -29.8987 40.1477 -15.4191 40.1477 -16.0462 50.1007 -15.4191 50.1006 9.8523 GPRESSAVG: 3274600 -31.2544 38.0577 -14.2719 42.6293 -13.5999 48.5118 -16.3217 49.071 9.45814 TIMING: 3274600 CPU: 9787.64, 0.00301154/step Wall: 9787.64, 0.00301154/step, 1.44336 hours remaining, 206.781250 MB of memory in use. ENERGY: 3274600 766.4828 2081.8281 1955.6467 111.2985 -205833.2236 17647.3608 0.0000 0.0000 34402.3918 -148868.2149 300.4446 -183270.6067 -148768.7180 300.2556 -78.0495 -46.7004 557738.9215 -12.0308 -11.7987 PRESSURE: 3274800 -202.511 -117.497 -113.338 -117.498 46.4184 80.4613 -113.338 80.4605 347.966 GPRESSURE: 3274800 -175.601 -62.4982 -58.8265 -90.6862 127.387 49.9255 -96.5499 74.8209 356.855 PRESSAVG: 3274800 8.78368 5.10363 -51.9576 5.10371 -5.55617 23.9564 -51.9575 23.9564 0.854423 GPRESSAVG: 3274800 8.89825 6.42695 -54.4063 3.83318 -7.32 25.0375 -50.2691 25.5832 2.4762 TIMING: 3274800 CPU: 9788.24, 0.00303132/step Wall: 9788.24, 0.00303132/step, 1.45267 hours remaining, 206.781250 MB of memory in use. ENERGY: 3274800 732.0669 2065.2671 1957.9174 106.5221 -206418.9181 18154.9055 0.0000 0.0000 34381.0571 -149021.1821 300.2583 -183402.2391 -148923.5641 300.2285 63.9578 102.8803 557237.5136 1.3606 1.3515 PRESSURE: 3275000 -16.6 -43.4285 -102.32 -43.4284 -88.3774 -125.36 -102.32 -125.36 0.105245 GPRESSURE: 3275000 35.3734 -68.9065 -174.764 -60.2934 -20.7901 -209.311 -75.7636 -54.2338 -10.5321 PRESSAVG: 3275000 13.2279 -31.878 -78.7786 -31.878 -17.2791 -23.9836 -78.7786 -23.9837 -19.5965 GPRESSAVG: 3275000 13.9248 -33.0913 -78.2036 -32.9109 -16.4043 -23.0981 -79.6517 -25.3904 -21.1148 TIMING: 3275000 CPU: 9788.85, 0.00303595/step Wall: 9788.85, 0.00303595/step, 1.45473 hours remaining, 206.781250 MB of memory in use. ENERGY: 3275000 715.1020 2063.7562 1912.1579 116.8217 -205759.7748 17614.3709 0.0000 0.0000 34177.6418 -149159.9243 298.4818 -183337.5661 -149056.7184 299.6014 -34.9574 1.3504 557837.1240 -7.8826 -7.8648 PRESSURE: 3275200 -109.255 6.12322 -77.1625 6.12308 -27.6119 -36.9251 -77.1638 -36.9247 -260.106 GPRESSURE: 3275200 -96.3599 39.9774 -124.311 22.4028 27.7204 4.07278 -114.078 -38.7044 -232.989 PRESSAVG: 3275200 3.26101 -12.3816 -23.5917 -12.3815 -39.1053 -18.7644 -23.5917 -18.7645 20.9751 GPRESSAVG: 3275200 2.6469 -13.0074 -22.9489 -10.3148 -38.8247 -18.3496 -23.9228 -19.9151 20.6419 TIMING: 3275200 CPU: 9789.46, 0.00302693/step Wall: 9789.46, 0.00302693/step, 1.45023 hours remaining, 206.781250 MB of memory in use. ENERGY: 3275200 754.5461 2152.3300 1965.5526 112.2557 -206261.0673 17919.6928 0.0000 0.0000 34374.6563 -148982.0338 300.2024 -183356.6901 -148888.0032 299.5744 -132.3241 -100.5427 560195.9351 -4.9564 -5.1787 PRESSURE: 3275400 126.957 -62.0765 -83.683 -62.077 203.678 143.022 -83.6837 143.022 -196.314 GPRESSURE: 3275400 124.041 -110.493 -27.0911 -60.9377 180.973 150.131 -59.1983 197.34 -84.6922 PRESSAVG: 3275400 83.0765 2.73352 -20.6049 2.73354 -36.4813 5.51023 -20.605 5.51007 -15.9897 GPRESSAVG: 3275400 83.1128 4.47003 -19.3764 0.142113 -38.2421 5.66792 -18.7113 6.53446 -13.655 TIMING: 3275400 CPU: 9790.06, 0.00301193/step Wall: 9790.06, 0.00301193/step, 1.44288 hours remaining, 206.781250 MB of memory in use. ENERGY: 3275400 742.7027 2112.9535 1937.9529 115.1140 -206531.2604 18164.4390 0.0000 0.0000 34313.7116 -149144.3867 299.6702 -183458.0983 -149057.7868 299.6272 44.7737 73.4406 558385.3332 10.2018 10.4052 PRESSURE: 3275600 35.2113 -193.465 -9.92709 -193.465 92.015 -73.14 -9.92662 -73.1401 -95.253 GPRESSURE: 3275600 15.0075 -190.79 -3.71308 -104.582 103.296 -26.9918 58.0914 -86.5464 20.1379 PRESSAVG: 3275600 92.6502 -5.44789 -14.8609 -5.44784 -61.478 -36.6318 -14.8609 -36.6318 -34.542 GPRESSAVG: 3275600 91.6125 -3.17817 -15.2833 -6.63832 -60.2639 -36.8614 -13.9306 -37.0478 -34.2089 TIMING: 3275600 CPU: 9790.66, 0.00299904/step Wall: 9790.66, 0.00299904/step, 1.43654 hours remaining, 206.781250 MB of memory in use. ENERGY: 3275600 742.0435 2074.5471 1944.7425 115.0943 -206231.2791 17788.5527 0.0000 0.0000 34305.4019 -149260.8970 299.5976 -183566.2990 -149168.1038 299.1168 10.6578 46.1471 558152.5070 -1.1232 -0.9534 PRESSURE: 3275800 -147.926 172.883 -79.7504 172.884 -23.7628 176.106 -79.7497 176.106 27.3282 GPRESSURE: 3275800 -205.666 230.544 -118.454 132.512 30.2439 160.043 -61.6303 177.246 126.817 PRESSAVG: 3275800 4.44059 -42.9926 -0.0701136 -42.9927 12.4814 -12.6731 -0.0701211 -12.673 -0.588802 GPRESSAVG: 3275800 5.20178 -43.1729 -1.02924 -42.9203 13.005 -12.6279 -0.728866 -13.7086 -1.69215 TIMING: 3275800 CPU: 9791.26, 0.00301789/step Wall: 9791.26, 0.00301789/step, 1.4454 hours remaining, 206.781250 MB of memory in use. ENERGY: 3275800 713.2739 2092.4185 1934.9570 116.3753 -205961.2786 17886.7414 0.0000 0.0000 34114.3812 -149103.1314 297.9294 -183217.5126 -149006.4085 299.0594 -48.1200 -16.2016 559229.2726 5.4444 5.5049 PRESSURE: 3276000 468.239 -8.07186 -43.0466 -8.07212 21.5343 134.216 -43.0465 134.217 165.691 GPRESSURE: 3276000 434.055 27.2505 -25.0344 -4.12149 35.7574 103.837 -10.15 143.011 283.962 PRESSAVG: 3276000 34.0635 19.2568 9.98461 19.2567 -49.6005 -60.1717 9.98473 -60.1718 8.12915 GPRESSAVG: 3276000 34.7917 18.5064 11.1077 22.1469 -48.8661 -60.2833 7.73838 -58.8262 6.9923 TIMING: 3276000 CPU: 9791.87, 0.00304065/step Wall: 9791.87, 0.00304065/step, 1.45613 hours remaining, 206.781250 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: 3276000 715.9303 2105.1271 1968.2220 120.4015 -206269.7919 18119.3131 0.0000 0.0000 34378.4891 -148862.3088 300.2359 -183240.7979 -148771.0319 299.7808 218.4879 251.2581 558070.7248 -2.4693 -2.3607 PRESSURE: 3276200 -239.881 86.892 91.3079 86.8917 -26.599 -20.6444 91.3069 -20.6456 -74.275 GPRESSURE: 3276200 -193.604 72.5562 76.5268 13.1639 23.553 -54.3153 121.345 34.5083 -72.9879 PRESSAVG: 3276200 37.0547 -4.35839 -11.3061 -4.35855 -18.7554 -78.4895 -11.3061 -78.4895 8.62156 GPRESSAVG: 3276200 36.2484 -5.34559 -11.6054 -6.07252 -19.1881 -77.2636 -10.3143 -78.6745 10.4353 TIMING: 3276200 CPU: 9792.48, 0.00304576/step Wall: 9792.48, 0.00304576/step, 1.45841 hours remaining, 206.781250 MB of memory in use. ENERGY: 3276200 742.6414 2082.2746 1963.2029 120.7877 -205610.1606 17679.1590 0.0000 0.0000 34169.8647 -148852.2303 298.4139 -183022.0950 -148759.6044 299.7944 -113.5851 -81.0130 559681.1912 8.9736 9.1652 LDB: ============= START OF LOAD BALANCING ============== 9795.91 LDB: ============== END OF LOAD BALANCING =============== 9795.91 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9795.91 LDB: ============= START OF LOAD BALANCING ============== 9796.22 LDB: Largest compute 4819 load 0.028509 is 24.2% of average load 0.118041 LDB: Average compute 0.001744 is 1.5% of average load 0.118041 LDB: TIME 9796.22 LOAD: AVG 0.118041 MAX 0.211002 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 9796.22 LOAD: AVG 0.118041 MAX 0.211002 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: TIME 9796.22 LOAD: AVG 0.118041 MAX 0.211002 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.43 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9796.22 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9796.22 PRESSURE: 3276400 211.283 22.9996 -65.2449 22.9989 52.7348 -86.7724 -65.2458 -86.7733 33.5791 GPRESSURE: 3276400 263.345 13.5683 -77.4617 -31.2569 55.4387 -130.289 -38.2399 -89.044 72.0882 PRESSAVG: 3276400 -12.5049 5.10534 -0.329403 5.10526 3.95444 -100.239 -0.329449 -100.239 -20.8555 GPRESSAVG: 3276400 -10.4648 5.17617 1.90955 5.93173 3.34036 -101.134 0.540141 -100.32 -22.2934 TIMING: 3276400 CPU: 9793.09, 0.00308089/step Wall: 9793.09, 0.00308089/step, 1.47506 hours remaining, 205.429688 MB of memory in use. ENERGY: 3276400 744.6465 2084.6782 1954.4076 109.4966 -205826.9210 17862.7557 0.0000 0.0000 34129.3745 -148941.5619 298.0603 -183070.9364 -148855.4016 299.9763 99.1988 130.2905 558829.8091 -9.8020 -9.8060 PRESSURE: 3276600 7.71542 122.377 83.8321 122.378 -23.213 -87.2771 83.834 -87.2749 184.967 GPRESSURE: 3276600 80.8282 137.266 72.1129 56.7893 -37.5618 -73.7162 149.629 -59.2665 229.999 PRESSAVG: 3276600 -16.5667 21.3096 25.846 21.3096 24.8291 -21.7533 25.846 -21.7531 14.4415 GPRESSAVG: 3276600 -18.3473 23.11 24.3254 21.5796 24.63 -22.1681 24.7731 -22.2276 16.7075 TIMING: 3276600 CPU: 9793.7, 0.00302244/step Wall: 9793.7, 0.00302244/step, 1.44691 hours remaining, 205.429688 MB of memory in use. ENERGY: 3276600 744.0408 2060.8831 1975.5235 113.9563 -206625.9959 18039.2706 0.0000 0.0000 34614.7377 -149077.5839 302.2991 -183692.3216 -148975.0242 300.0007 56.4899 91.0884 558997.0916 7.5679 7.6634 PRESSURE: 3276800 -321.923 30.2326 -108.576 30.2333 127.645 18.1019 -108.576 18.101 282.325 GPRESSURE: 3276800 -285.577 23.7734 -114.825 72.7427 176.738 138.995 -55.4296 -47.471 288.605 PRESSAVG: 3276800 -31.7406 -4.61811 -1.69964 -4.61813 50.4153 -30.6606 -1.69958 -30.6606 -10.8334 GPRESSAVG: 3276800 -31.2434 -7.19584 -0.345555 -4.58285 50.2843 -29.8734 -2.49915 -30.5244 -11.2808 TIMING: 3276800 CPU: 9794.31, 0.00303065/step Wall: 9794.31, 0.00303065/step, 1.45067 hours remaining, 205.429688 MB of memory in use. ENERGY: 3276800 736.1634 2057.2124 1961.1480 95.1067 -206185.3940 17793.0877 0.0000 0.0000 34371.8289 -149170.8469 300.1777 -183542.6757 -149075.0514 299.7203 29.3491 59.9218 558850.4221 2.6138 2.5867 PRESSURE: 3277000 222.924 -11.9202 -4.79774 -11.9213 41.3409 -26.954 -4.79775 -26.9545 -48.1742 GPRESSURE: 3277000 230.465 -1.09747 -28.0776 -41.4238 125.5 -89.8814 13.2371 -16.6523 -51.5902 PRESSAVG: 3277000 -20.3946 -28.3897 29.2194 -28.3898 5.25373 22.4822 29.2194 22.4821 19.6571 GPRESSAVG: 3277000 -20.5967 -27.6372 28.7185 -28.288 5.55345 20.1494 29.953 23.6544 19.4212 TIMING: 3277000 CPU: 9794.91, 0.00302388/step Wall: 9794.91, 0.00302388/step, 1.44726 hours remaining, 205.429688 MB of memory in use. ENERGY: 3277000 712.4473 2033.3769 1930.4146 110.7610 -206261.6950 17962.9056 0.0000 0.0000 34335.5072 -149176.2824 299.8605 -183511.7896 -149085.0122 298.4019 72.0304 101.4583 558828.6150 1.5054 1.4593 PRESSURE: 3277200 -23.3947 155.711 44.1666 155.711 -232.257 -67.1054 44.167 -67.1055 -33.3944 GPRESSURE: 3277200 17.3763 61.4019 84.5007 129.427 -221.345 -105.369 36.0605 -62.95 24.8362 PRESSAVG: 3277200 -46.6672 -46.3591 -3.37337 -46.3591 32.1674 -23.2865 -3.37344 -23.2865 15.7158 GPRESSAVG: 3277200 -46.3458 -46.586 -3.81124 -46.8417 32.4193 -21.4766 -1.86952 -23.375 15.2156 TIMING: 3277200 CPU: 9795.52, 0.00304187/step Wall: 9795.52, 0.00304187/step, 1.45571 hours remaining, 205.429688 MB of memory in use. ENERGY: 3277200 778.8576 2102.3296 1967.4800 115.3632 -205904.8964 17613.9368 0.0000 0.0000 34289.7066 -149037.2224 299.4605 -183326.9291 -148931.2896 298.8076 -96.3486 -59.7107 557014.7167 0.4053 0.4297 PRESSURE: 3277400 188.88 -96.5853 -58.7955 -96.5853 215.547 113.737 -58.7952 113.737 60.234 GPRESSURE: 3277400 215.807 -222.768 -132.806 -31.8796 242.082 43.2442 -50.5488 144.581 102.857 PRESSAVG: 3277400 -12.8091 -13.961 5.86944 -13.961 48.3328 71.4954 5.8695 71.4952 -18.4585 GPRESSAVG: 3277400 -13.6729 -12.6015 4.26658 -15.3699 48.4216 72.2761 5.12622 69.9399 -17.6362 TIMING: 3277400 CPU: 9796.12, 0.0030236/step Wall: 9796.12, 0.0030236/step, 1.44679 hours remaining, 205.429688 MB of memory in use. ENERGY: 3277400 762.8463 2124.4381 1967.5380 104.5577 -206586.8199 18234.3982 0.0000 0.0000 34243.8365 -149149.2050 299.0599 -183393.0415 -149047.1383 299.2892 154.8870 186.9154 558010.7567 5.6884 5.7042 PRESSURE: 3277600 -57.913 35.9285 -104.765 35.9282 -50.8339 -70.2693 -104.764 -70.2694 -246.363 GPRESSURE: 3277600 -36.0807 70.7251 -46.6857 50.6702 22.8495 -37.5387 -51.7238 -96.8683 -243.977 PRESSAVG: 3277600 10.7249 -5.84535 -29.9955 -5.84539 41.7387 -37.2562 -29.9955 -37.2562 -44.5696 GPRESSAVG: 3277600 11.7234 -6.70509 -30.2444 -3.75323 42.4388 -36.3981 -29.1711 -37.976 -45.2829 TIMING: 3277600 CPU: 9796.73, 0.00302771/step Wall: 9796.73, 0.00302771/step, 1.44859 hours remaining, 205.429688 MB of memory in use. ENERGY: 3277600 724.2054 2114.1017 1971.2413 110.6802 -205966.1749 17800.9834 0.0000 0.0000 34300.0687 -148944.8942 299.5510 -183244.9629 -148850.9119 299.6429 -118.3698 -85.7360 558534.4287 2.6313 2.9598 PRESSURE: 3277800 83.8895 -4.03416 -266.027 -4.03369 116.727 105.004 -266.028 105.003 302.774 GPRESSURE: 3277800 160.554 -26.2644 -246.737 -106.649 128.842 88.1192 -244.036 80.3975 310.517 PRESSAVG: 3277800 5.95624 -5.01664 -28.9381 -5.01659 -49.746 11.4105 -28.938 11.4105 7.17041 GPRESSAVG: 3277800 6.66379 -4.45141 -25.8972 -6.54386 -50.2849 10.4973 -30.1034 12.9571 7.41996 TIMING: 3277800 CPU: 9797.33, 0.00301311/step Wall: 9797.33, 0.00301311/step, 1.44144 hours remaining, 205.429688 MB of memory in use. ENERGY: 3277800 748.4944 2076.6209 1951.1220 125.7615 -206001.1790 17953.5827 0.0000 0.0000 34268.0440 -148877.5535 299.2714 -183145.5975 -148780.7162 300.2735 167.7969 199.9710 557816.9735 -12.2065 -12.0671 PRESSURE: 3278000 173.232 -78.8929 45.1543 -78.8939 -80.3113 64.2456 45.1537 64.2453 66.5278 GPRESSURE: 3278000 189.363 -73.8219 9.78751 -71.974 -38.8065 45.1578 62.2408 158.983 124.102 PRESSAVG: 3278000 52.1453 56.9257 70.0779 56.9256 -43.4467 14.3457 70.0779 14.3458 5.9822 GPRESSAVG: 3278000 51.6179 57.5129 70.1052 57.9533 -43.7847 13.8407 71.4647 14.3348 7.32524 TIMING: 3278000 CPU: 9797.93, 0.00301306/step Wall: 9797.93, 0.00301306/step, 1.44125 hours remaining, 205.429688 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: 3278000 742.7661 2098.7089 1945.4489 114.6500 -206178.3003 17965.5635 0.0000 0.0000 34234.5368 -149076.6261 298.9787 -183311.1628 -148976.1596 299.8197 53.1494 91.5529 558238.4470 4.8936 5.0528 PRESSURE: 3278200 127.506 -77.813 37.0741 -77.8127 -133.123 51.1282 37.0744 51.1282 -241.721 GPRESSURE: 3278200 153.87 -39.667 24.2568 -62.6251 -102.26 28.9046 23.5448 83.3424 -201.592 PRESSAVG: 3278200 51.9601 -61.17 40.8938 -61.17 9.14567 43.602 40.8937 43.602 -2.57723 GPRESSAVG: 3278200 51.6462 -62.6158 40.9403 -62.7044 8.86159 42.9044 39.2618 44.8122 -2.2575 TIMING: 3278200 CPU: 9798.54, 0.00302734/step Wall: 9798.54, 0.00302734/step, 1.44791 hours remaining, 205.429688 MB of memory in use. ENERGY: 3278200 759.6200 2072.2438 1953.8796 125.4693 -205930.4819 17668.8321 0.0000 0.0000 34314.6829 -149035.7542 299.6787 -183350.4371 -148944.1147 299.6418 -82.4463 -49.9941 557668.2757 19.5095 19.4168 PRESSURE: 3278400 -258.638 131.838 -140.441 131.838 -198.918 68.4276 -140.442 68.4268 -273.679 GPRESSURE: 3278400 -240.089 124.3 2.64585 147.494 -129.775 66.582 -178.388 65.4455 -254.344 PRESSAVG: 3278400 92.2866 -6.6512 27.0266 -6.65122 -57.8483 -35.7265 27.0266 -35.7265 10.6513 GPRESSAVG: 3278400 93.1963 -6.82151 27.6426 -5.58055 -56.8748 -32.7747 26.5769 -37.6512 9.50484 TIMING: 3278400 CPU: 9799.15, 0.00304355/step Wall: 9799.15, 0.00304355/step, 1.45549 hours remaining, 205.429688 MB of memory in use. ENERGY: 3278400 765.4174 2049.4666 1958.1227 121.8023 -205456.8969 17315.6809 0.0000 0.0000 34319.0730 -148927.3341 299.7170 -183246.4071 -148826.1174 300.1658 -243.7447 -208.0694 555748.8800 15.0299 15.2754 PRESSURE: 3278600 8.59836 -126.218 35.326 -126.218 -24.8832 81.0066 35.3261 81.0074 11.9749 GPRESSURE: 3278600 72.7689 -99.8739 -31.8503 -119.859 23.2784 134.574 72.1802 69.6393 6.56792 PRESSAVG: 3278600 65.308 -0.254872 -2.0376 -0.254852 -39.9553 -9.35469 -2.03761 -9.35472 -48.4654 GPRESSAVG: 3278600 64.0472 1.28813 -2.44576 -1.91624 -38.2164 -11.4419 -0.532329 -8.64929 -48.467 TIMING: 3278600 CPU: 9799.75, 0.00302182/step Wall: 9799.75, 0.00302182/step, 1.44493 hours remaining, 205.429688 MB of memory in use. ENERGY: 3278600 753.3030 2108.1054 1945.9699 107.2849 -206080.2141 17858.2712 0.0000 0.0000 34347.6216 -148959.6582 299.9663 -183307.2798 -148862.7796 300.0093 -1.4366 34.2051 556500.5890 -7.7042 -7.5454 PRESSURE: 3278800 46.3512 -93.3763 -52.9233 -93.3771 49.1996 157.37 -52.9238 157.369 -88.0592 GPRESSURE: 3278800 56.0624 -81.0109 -54.3481 -69.1096 47.0542 142.818 -60.8059 174.76 -8.13771 PRESSAVG: 3278800 98.309 -14.9177 -1.36558 -14.9177 -5.82959 39.3409 -1.36551 39.3409 -36.5917 GPRESSAVG: 3278800 98.6824 -15.3625 -1.01328 -11.3503 -6.91598 37.6762 -1.78189 38.8073 -35.9006 TIMING: 3278800 CPU: 9800.36, 0.00302796/step Wall: 9800.36, 0.00302796/step, 1.4477 hours remaining, 205.429688 MB of memory in use. ENERGY: 3278800 719.7570 2108.6842 1953.0297 110.0724 -205964.6925 17780.1442 0.0000 0.0000 34294.4177 -148998.5875 299.5017 -183293.0052 -148898.2887 300.1882 2.4972 31.6596 556491.7893 18.6292 18.6219 PRESSURE: 3279000 88.6071 -84.7215 10.0188 -84.7219 -157.956 78.9118 10.019 78.9115 25.6451 GPRESSURE: 3279000 153.118 -85.9513 6.89891 -134.51 -104.462 -34.0085 13.6975 3.51635 -4.60633 PRESSAVG: 3279000 -1.90218 -13.0046 77.6915 -13.0046 33.4991 -4.97484 77.6915 -4.97486 -19.5472 GPRESSAVG: 3279000 -3.13774 -12.0373 77.245 -15.6659 34.3551 -1.73977 75.6929 -7.06607 -20.1581 TIMING: 3279000 CPU: 9800.96, 0.00302555/step Wall: 9800.96, 0.00302555/step, 1.44638 hours remaining, 205.429688 MB of memory in use. ENERGY: 3279000 781.8231 2141.2133 1962.3160 113.4685 -206120.7175 17710.4330 0.0000 0.0000 34325.5030 -149085.9608 299.7732 -183411.4637 -148994.0306 299.9815 -14.5679 14.6832 556460.7332 4.0166 3.6864 PRESSURE: 3279200 -91.6349 20.0071 126.064 20.0072 -117.274 72.463 126.063 72.4633 -141.748 GPRESSURE: 3279200 -50.3234 32.7995 109.131 -63.4255 -164.949 94.8533 164.914 40.6968 -41.753 PRESSAVG: 3279200 30.2353 -36.4675 16.5019 -36.4676 -10.4724 -7.48896 16.5019 -7.48899 -22.1348 GPRESSAVG: 3279200 30.1437 -39.1276 16.5529 -34.5859 -10.6938 -10.2408 17.8057 -5.05455 -21.8948 TIMING: 3279200 CPU: 9801.57, 0.00302671/step Wall: 9801.57, 0.00302671/step, 1.44677 hours remaining, 205.429688 MB of memory in use. ENERGY: 3279200 733.2304 2085.6207 1946.7140 101.8667 -206250.1732 17754.0879 0.0000 0.0000 34383.4041 -149245.2494 300.2788 -183628.6536 -149139.8977 299.5544 -116.8855 -85.6752 558255.1000 -0.7906 -0.8150 PRESSURE: 3279400 247.079 39.8732 -58.8403 39.8735 -119.397 -39.4799 -58.8391 -39.4795 215.108 GPRESSURE: 3279400 312.003 60.5439 -41.4035 34.1371 -170.587 -92.2647 -136.113 8.74311 295.435 PRESSAVG: 3279400 64.0761 -35.8083 27.589 -35.8083 -41.847 -37.6451 27.5891 -37.6451 5.85776 GPRESSAVG: 3279400 65.2457 -36.0914 27.5558 -34.977 -42.6284 -37.5026 26.801 -38.2499 6.13498 TIMING: 3279400 CPU: 9802.17, 0.00299522/step Wall: 9802.17, 0.00299522/step, 1.43155 hours remaining, 205.429688 MB of memory in use. ENERGY: 3279400 704.2932 1981.0158 1958.3742 118.1446 -206578.9150 18053.6919 0.0000 0.0000 34495.6467 -149267.7487 301.2591 -183763.3954 -149168.9876 299.2220 114.2634 145.6172 556848.6383 9.3623 9.5841 PRESSURE: 3279600 -278.502 74.01 -23.5512 74.0114 -39.3504 117.947 -23.5497 117.946 2.78709 GPRESSURE: 3279600 -164.469 97.4155 -64.0239 117.46 -14.373 62.051 21.5582 116.896 -27.0156 PRESSAVG: 3279600 -19.4208 -3.77859 3.60407 -3.77855 -45.9366 15.5744 3.60403 15.5745 49.4542 GPRESSAVG: 3279600 -18.1126 -2.86391 3.31801 -6.09979 -45.6715 17.5044 2.3361 16.399 47.9431 TIMING: 3279600 CPU: 9802.78, 0.0030368/step Wall: 9802.78, 0.0030368/step, 1.45125 hours remaining, 205.429688 MB of memory in use. ENERGY: 3279600 777.6204 2064.9468 1959.0866 105.3788 -206388.9115 17965.8429 0.0000 0.0000 34314.0634 -149201.9725 299.6733 -183516.0359 -149113.1271 299.8634 -105.0219 -68.6190 557741.2167 -5.3011 -5.2804 PRESSURE: 3279800 168.43 -198.984 108.842 -198.984 108.98 129.997 108.843 129.999 19.4559 GPRESSURE: 3279800 145.185 -223.455 95.616 -132.064 155.255 10.3681 145.564 145.148 98.5486 PRESSAVG: 3279800 -2.18866 -11.9331 59.279 -11.9331 -73.4469 18.5782 59.2789 18.5782 90.531 GPRESSAVG: 3279800 -2.43389 -11.6998 58.3858 -11.1331 -72.7481 16.3944 62.305 20.1572 90.4332 TIMING: 3279800 CPU: 9803.37, 0.00299723/step Wall: 9803.37, 0.00299723/step, 1.43217 hours remaining, 205.429688 MB of memory in use. ENERGY: 3279800 776.7302 2032.3678 1955.2893 105.1902 -206633.3391 18037.5633 0.0000 0.0000 34346.2199 -149379.9785 299.9541 -183726.1984 -149279.2492 299.5475 98.9553 132.9963 554820.2853 4.9652 5.0837 PRESSURE: 3280000 129.012 58.8158 243.974 58.8151 -133.846 -10.6037 243.975 -10.6031 -135.392 GPRESSURE: 3280000 197.819 59.6032 223.556 8.82698 -117.369 -47.4414 221.092 -14.9776 -118.958 PRESSAVG: 3280000 8.25183 55.6896 80.7556 55.6897 24.007 32.7926 80.7558 32.7925 10.6661 GPRESSAVG: 3280000 7.70579 55.0993 81.9652 56.2711 24.0976 34.2048 79.732 32.585 11.2436 TIMING: 3280000 CPU: 9803.97, 0.00299291/step Wall: 9803.97, 0.00299291/step, 1.42994 hours remaining, 205.429688 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: 3280000 744.1800 2048.6547 1965.7038 108.1003 -206056.2357 17736.2672 0.0000 0.0000 34063.9414 -149389.3883 297.4889 -183453.3297 -149293.6510 299.5917 -46.7420 -12.8362 555649.9227 14.3083 14.3490 PRESSURE: 3280200 288.77 -62.9387 116.256 -62.9394 8.3491 -2.72386 116.256 -2.72382 0.156581 GPRESSURE: 3280200 293.145 -108.18 192.285 34.2207 87.2164 -15.7636 54.3204 -14.8354 23.731 PRESSAVG: 3280200 33.3983 9.45663 -31.2587 9.45666 -28.195 42.3442 -31.2587 42.3443 -22.1374 GPRESSAVG: 3280200 34.266 10.3397 -31.5813 9.50127 -28.9812 40.4604 -31.555 42.1589 -22.0423 TIMING: 3280200 CPU: 9804.57, 0.00299426/step Wall: 9804.57, 0.00299426/step, 1.43042 hours remaining, 205.429688 MB of memory in use. ENERGY: 3280200 737.4580 2082.7650 1939.8193 99.7387 -206748.8450 18022.1422 0.0000 0.0000 34498.6930 -149368.2289 301.2857 -183866.9219 -149277.2259 299.0572 99.0918 134.6976 555428.9312 -5.6447 -5.5858 LDB: ============= START OF LOAD BALANCING ============== 9808 LDB: ============== END OF LOAD BALANCING =============== 9808 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9808 LDB: ============= START OF LOAD BALANCING ============== 9808.31 LDB: Largest compute 4819 load 0.028578 is 24.2% of average load 0.118107 LDB: Average compute 0.001742 is 1.5% of average load 0.118107 LDB: TIME 9808.31 LOAD: AVG 0.118107 MAX 0.210251 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 9808.31 LOAD: AVG 0.118107 MAX 0.210251 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: TIME 9808.31 LOAD: AVG 0.118107 MAX 0.210251 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 9808.31 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9808.32 PRESSURE: 3280400 185.498 -32.0714 -32.0032 -32.0706 83.3317 10.6433 -32.0024 10.6418 187.689 GPRESSURE: 3280400 244.834 -0.375533 3.59525 -81.2773 110.481 -75.2349 19.6096 69.0332 202.283 PRESSAVG: 3280400 2.41713 -5.3718 68.0331 -5.37187 -45.8656 -1.44585 68.0332 -1.4459 42.0719 GPRESSAVG: 3280400 2.3255 -6.66469 66.7137 -4.79741 -45.8597 0.509651 68.8546 -2.27574 42.4637 TIMING: 3280400 CPU: 9805.19, 0.00306923/step Wall: 9805.19, 0.00306923/step, 1.46607 hours remaining, 205.937500 MB of memory in use. ENERGY: 3280400 748.1825 2103.4683 1951.3812 121.6730 -206598.0570 18132.8935 0.0000 0.0000 34221.9431 -149318.5153 298.8687 -183540.4584 -149228.4956 298.3652 152.1728 185.8659 556664.8196 -0.4589 -0.3568 PRESSURE: 3280600 73.6205 -94.513 93.784 -94.5133 157.071 -44.5089 93.7832 -44.5107 174.957 GPRESSURE: 3280600 75.621 -16.8147 116.958 -100.566 226.517 -35.9045 88.9876 -44.9391 203.553 PRESSAVG: 3280600 -75.8252 -52.26 -2.90278 -52.2601 -25.2886 -11.7625 -2.90282 -11.7624 83.8789 GPRESSAVG: 3280600 -75.9752 -52.3648 -1.88247 -52.9922 -25.3921 -10.5013 -2.54314 -12.0434 84.3088 TIMING: 3280600 CPU: 9805.79, 0.00304235/step Wall: 9805.79, 0.00304235/step, 1.45306 hours remaining, 205.937500 MB of memory in use. ENERGY: 3280600 731.8279 2107.0597 1947.3630 109.1123 -206099.0496 17765.6745 0.0000 0.0000 34235.5810 -149202.4312 298.9878 -183438.0122 -149110.7820 298.9185 135.2162 168.5635 557159.5314 -5.7450 -5.6862 PRESSURE: 3280800 -84.3713 156.958 174.854 156.959 -286.335 122.881 174.853 122.88 -101.114 GPRESSURE: 3280800 -92.3126 210.61 140.761 130.029 -220.545 96.262 137.025 156.26 -76.9183 PRESSAVG: 3280800 -47.4754 5.31127 44.406 5.31125 15.1898 -41.372 44.4059 -41.372 56.3217 GPRESSAVG: 3280800 -46.8179 5.47559 45.5256 4.7469 14.9783 -41.3083 43.3124 -42.8618 55.6012 TIMING: 3280800 CPU: 9806.41, 0.00305718/step Wall: 9806.41, 0.00305718/step, 1.45997 hours remaining, 205.937500 MB of memory in use. ENERGY: 3280800 762.5302 2094.7883 1954.2566 104.3035 -205816.4375 17400.0435 0.0000 0.0000 34189.3298 -149311.1854 298.5839 -183500.5152 -149210.9028 300.0302 -157.2732 -129.9252 556539.5369 8.0120 7.9205 PRESSURE: 3281000 -160.063 -26.0344 -46.2664 -26.0357 -168.081 -4.89328 -46.267 -4.89456 -131.996 GPRESSURE: 3281000 -125.084 -60.6044 -13.7671 170.517 -117.614 -24.8587 -43.4508 58.3963 -102.11 PRESSAVG: 3281000 13.7722 52.2558 73.224 52.2559 -1.45654 -33.2915 73.2239 -33.2917 5.47587 GPRESSAVG: 3281000 14.1472 53.0717 73.7579 52.6865 -1.68884 -32.971 72.762 -31.5423 6.22521 TIMING: 3281000 CPU: 9807.02, 0.00306518/step Wall: 9807.02, 0.00306518/step, 1.46363 hours remaining, 205.937500 MB of memory in use. ENERGY: 3281000 755.4748 2092.0884 1933.3577 116.0442 -206570.0107 17661.2861 0.0000 0.0000 34364.9812 -149646.7783 300.1179 -184011.7595 -149552.9921 298.4917 -153.3801 -114.9358 555594.6026 5.9305 6.2278 PRESSURE: 3281200 -27.1953 -129.639 -17.2394 -129.639 -204.208 86.4923 -17.2387 86.4925 -364.389 GPRESSURE: 3281200 0.600281 -85.7724 -42.7961 -179.501 -198.25 133.228 -93.1123 36.6082 -297.865 PRESSAVG: 3281200 45.9849 -31.8398 6.17548 -31.8397 -39.3271 53.746 6.17539 53.7461 16.6183 GPRESSAVG: 3281200 46.4884 -32.6138 4.8697 -31.0409 -39.2307 52.149 6.28693 52.4657 15.8395 TIMING: 3281200 CPU: 9807.63, 0.00303713/step Wall: 9807.63, 0.00303713/step, 1.45006 hours remaining, 205.937500 MB of memory in use. ENERGY: 3281200 749.2383 2081.5627 1951.2281 103.7887 -206449.7095 17767.9641 0.0000 0.0000 34339.0306 -149456.8970 299.8913 -183795.9276 -149357.9238 298.5754 -198.5976 -165.1716 557905.1303 7.7587 7.6991 PRESSURE: 3281400 -34.6277 -13.6925 5.28769 -13.6937 -315.644 47.1566 5.28783 47.1564 -456.554 GPRESSURE: 3281400 43.2221 -69.8851 -129.818 -57.8607 -254.395 40.7529 12.9203 119.591 -498.981 PRESSAVG: 3281400 58.1154 -42.2708 9.54435 -42.2707 -60.0857 42.7251 9.54446 42.7251 7.84537 GPRESSAVG: 3281400 57.9889 -42.1264 9.65182 -43.2986 -59.6977 41.9908 9.87136 44.5685 7.64788 TIMING: 3281400 CPU: 9808.23, 0.003038/step Wall: 9808.23, 0.003038/step, 1.45031 hours remaining, 205.937500 MB of memory in use. ENERGY: 3281400 771.9695 2067.8917 1948.2653 108.2932 -206234.6743 17535.4403 0.0000 0.0000 34204.2985 -149598.5159 298.7146 -183802.8144 -149506.9846 298.0692 -268.9420 -236.7182 557436.4065 1.9583 1.9797 PRESSURE: 3281600 35.8184 98.7242 -0.433372 98.7241 -153.555 -13.8101 -0.433826 -13.8088 -314.082 GPRESSURE: 3281600 38.7268 166.328 60.1954 22.1418 -160.244 -31.9113 33.4444 -0.443535 -219.431 PRESSAVG: 3281600 45.3335 -94.0197 59.8356 -94.0197 -15.7352 42.0224 59.8356 42.0225 0.617645 GPRESSAVG: 3281600 45.5557 -93.5624 60.1686 -94.9905 -16.2431 43.311 59.5168 40.9102 0.648869 TIMING: 3281600 CPU: 9808.84, 0.00302469/step Wall: 9808.84, 0.00302469/step, 1.44379 hours remaining, 205.937500 MB of memory in use. ENERGY: 3281600 745.0159 2111.2001 1940.6024 114.5562 -206306.8880 17800.3567 0.0000 0.0000 34141.1848 -149453.9718 298.1635 -183595.1566 -149356.9487 298.2290 -143.9397 -113.6493 556977.1535 10.0720 9.9871 PRESSURE: 3281800 -65.5545 14.2651 42.3291 14.2655 -245.185 -14.6375 42.3283 -14.6365 -227.327 GPRESSURE: 3281800 6.88283 78.4595 76.2927 -87.2841 -268.555 -28.2823 28.6952 -53.9436 -173.618 PRESSAVG: 3281800 63.9917 -13.5571 23.7279 -13.5571 -43.1202 -55.9267 23.7279 -55.9266 -37.1106 GPRESSAVG: 3281800 64.266 -13.8128 23.8782 -12.4322 -42.9372 -56.3937 20.9881 -56.1404 -37.8335 TIMING: 3281800 CPU: 9809.44, 0.00301176/step Wall: 9809.44, 0.00301176/step, 1.43745 hours remaining, 205.937500 MB of memory in use. ENERGY: 3281800 748.2788 2086.8183 1946.5571 117.0153 -205904.2777 17513.1202 0.0000 0.0000 34099.3394 -149393.1485 297.7980 -183492.4879 -149299.8654 298.6556 -179.3557 -145.0965 557412.2221 -5.4130 -5.5016 PRESSURE: 3282000 82.5125 118.355 -0.546429 118.354 187.988 76.3996 -0.547534 76.4013 -105.884 GPRESSURE: 3282000 132.332 197.43 -14.3612 122.775 201.331 -0.486054 60.5947 37.5579 -66.366 PRESSAVG: 3282000 23.9342 -8.46515 62.3784 -8.46512 -61.2157 -1.77692 62.3785 -1.7769 9.96125 GPRESSAVG: 3282000 22.4605 -9.09571 63.7584 -6.80594 -60.6351 0.833468 65.1436 -1.39992 10.3814 TIMING: 3282000 CPU: 9810.05, 0.00302512/step Wall: 9810.05, 0.00302512/step, 1.44365 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: 3282000 772.0000 2080.0066 1951.7721 103.7053 -206635.0820 18165.7344 0.0000 0.0000 34377.1246 -149184.7390 300.2240 -183561.8636 -149097.2992 299.5898 54.8721 89.0992 557889.2693 -9.1067 -9.2644 PRESSURE: 3282200 -94.961 62.9311 125.19 62.9314 -22.6872 -16.4651 125.191 -16.4668 20.5535 GPRESSURE: 3282200 4.90213 -15.4838 160.3 123.951 -18.6831 7.26257 107.366 23.2826 26.2265 PRESSAVG: 3282200 18.5552 -21.4088 23.4505 -21.4088 7.75362 13.914 23.4505 13.914 -10.7021 GPRESSAVG: 3282200 18.8251 -20.9069 21.4746 -20.5767 7.36931 12.8761 24.4529 14.0652 -10.9382 TIMING: 3282200 CPU: 9810.65, 0.00301158/step Wall: 9810.65, 0.00301158/step, 1.43703 hours remaining, 205.937500 MB of memory in use. ENERGY: 3282200 770.4080 2071.3119 1935.7112 114.4836 -206162.6951 17762.0357 0.0000 0.0000 34469.8314 -149038.9133 301.0336 -183508.7447 -148947.1674 299.8728 -32.3649 4.1485 557526.3449 5.2022 5.0854 PRESSURE: 3282400 -36.1096 115.182 76.3341 115.182 -300.035 273.239 76.3358 273.238 -140.056 GPRESSURE: 3282400 0.348151 165.979 122.375 20.8787 -273.851 207.11 68.3386 269.386 -108.924 PRESSAVG: 3282400 55.5035 93.4201 -25.7872 93.4201 -24.8746 9.53962 -25.7872 9.53956 11.4392 GPRESSAVG: 3282400 56.1033 94.4231 -25.7354 91.943 -25.0952 8.53188 -26.4502 9.04458 11.2058 TIMING: 3282400 CPU: 9811.25, 0.00300016/step Wall: 9811.25, 0.00300016/step, 1.43141 hours remaining, 205.937500 MB of memory in use. ENERGY: 3282400 761.1675 2099.0886 1937.6508 116.7692 -206114.5231 17653.1321 0.0000 0.0000 34534.4788 -149012.2361 301.5982 -183546.7149 -148914.3624 300.5419 -158.7334 -127.4758 557585.7893 14.0227 14.0713 PRESSURE: 3282600 117.098 -153.79 80.8194 -153.791 167.83 -112.949 80.8214 -112.949 269.252 GPRESSURE: 3282600 136.183 -148.946 92.6434 -210.538 221.724 -177.715 56.1969 -146.21 291.181 PRESSAVG: 3282600 -23.5963 62.1841 24.9487 62.184 -5.36433 5.23733 24.9487 5.2373 42.5893 GPRESSAVG: 3282600 -24.9558 62.3367 27.1666 61.7062 -4.37349 4.33536 23.4584 9.08111 43.5992 TIMING: 3282600 CPU: 9811.86, 0.0030397/step Wall: 9811.86, 0.0030397/step, 1.45011 hours remaining, 205.937500 MB of memory in use. ENERGY: 3282600 757.5300 2088.2130 1955.8880 133.6433 -206248.1382 18038.1375 0.0000 0.0000 34163.0152 -149111.7112 298.3541 -183274.7264 -149021.9757 299.8647 184.7265 216.3628 556467.5952 4.5429 4.7566 PRESSURE: 3282800 -332.937 -24.6396 12.2833 -24.6392 -115.79 -134.438 12.2837 -134.437 -472.298 GPRESSURE: 3282800 -294.584 73.0183 22.2788 -67.3549 -90.9003 -129.433 34.8799 -129.022 -431.283 PRESSAVG: 3282800 14.115 -28.3586 20.5175 -28.3585 -11.3345 -44.5507 20.5175 -44.5507 47.2941 GPRESSAVG: 3282800 15.7444 -28.6529 19.3539 -28.3386 -12.5931 -41.8394 20.0002 -49.7969 46.642 TIMING: 3282800 CPU: 9812.47, 0.00304792/step Wall: 9812.47, 0.00304792/step, 1.45386 hours remaining, 205.937500 MB of memory in use. ENERGY: 3282800 746.4609 2122.6079 1932.8060 111.7265 -205810.4618 17361.3185 0.0000 0.0000 34439.5447 -149095.9973 300.7691 -183535.5420 -148994.2341 299.6700 -307.0084 -272.2556 556833.1617 16.6916 16.5978 PRESSURE: 3283000 155.104 -31.6457 80.6771 -31.6458 179.499 -5.80998 80.6788 -5.8083 -16.2072 GPRESSURE: 3283000 192.366 11.8988 176.689 -129.233 161.973 -27.5111 60.7066 -111.301 68.1241 PRESSAVG: 3283000 -1.49239 13.5721 -4.29006 13.5721 20.2039 12.8667 -4.29009 12.8668 -11.5452 GPRESSAVG: 3283000 -2.60981 13.6225 -3.82407 14.8533 20.8976 12.5925 -1.90976 13.2219 -10.8958 TIMING: 3283000 CPU: 9813.07, 0.00302526/step Wall: 9813.07, 0.00302526/step, 1.44288 hours remaining, 205.937500 MB of memory in use. ENERGY: 3283000 769.5934 2106.4173 1953.8225 107.8578 -206704.8395 18245.5277 0.0000 0.0000 34351.6634 -149169.9575 300.0016 -183521.6209 -149076.2375 299.5936 106.1319 140.8209 556943.9627 2.3888 2.4640 PRESSURE: 3283200 -251.029 -185.237 22.2651 -185.238 9.86524 324.563 22.2652 324.564 -47.2042 GPRESSURE: 3283200 -220.883 -102.207 45.7895 -167.81 76.7632 333.42 -34.088 327.759 -49.7241 PRESSAVG: 3283200 6.73868 2.29653 42.9821 2.29659 47.5783 18.4334 42.9821 18.4334 -15.7496 GPRESSAVG: 3283200 7.25367 3.25869 43.3989 2.29969 48.4359 15.5728 42.2054 22.3144 -16.5161 TIMING: 3283200 CPU: 9813.68, 0.0030277/step Wall: 9813.68, 0.0030277/step, 1.44388 hours remaining, 205.937500 MB of memory in use. ENERGY: 3283200 781.5688 2054.3210 1938.0712 117.4951 -206150.3395 17728.7396 0.0000 0.0000 34357.8836 -149172.2602 300.0559 -183530.1438 -149077.0064 299.7738 -96.1226 -64.6146 557592.8781 12.8558 13.0578 PRESSURE: 3283400 -110.503 68.5111 -7.68949 68.5113 18.6442 139.094 -7.6897 139.092 92.2986 GPRESSURE: 3283400 -57.6197 166.545 -11.8468 -63.7205 47.4107 154.18 23.202 120.893 94.59 PRESSAVG: 3283400 -46.5132 -40.446 22.0709 -40.446 52.1359 3.5819 22.0708 3.58184 -21.4258 GPRESSAVG: 3283400 -46.1642 -41.3941 21.3041 -41.0817 51.2486 5.26167 20.9261 2.89794 -21.482 TIMING: 3283400 CPU: 9814.28, 0.00301963/step Wall: 9814.28, 0.00301963/step, 1.43986 hours remaining, 205.937500 MB of memory in use. ENERGY: 3283400 727.0529 2071.1484 1958.5492 115.4633 -205965.1586 17747.3389 0.0000 0.0000 34237.9604 -149107.6456 299.0086 -183345.6059 -149010.1120 299.8262 0.1466 28.1270 558612.9944 -5.2677 -5.4658 PRESSURE: 3283600 -113.964 1.29324 81.141 1.29301 -33.3408 72.95 81.1407 72.9493 61.8048 GPRESSURE: 3283600 -94.0033 -16.6038 54.0937 -39.9651 36.9527 86.5198 55.1183 32.8129 67.2637 PRESSAVG: 3283600 -25.9492 -24.3337 2.96864 -24.3337 49.3005 -19.7269 2.96876 -19.7268 -17.9582 GPRESSAVG: 3283600 -26.0397 -22.7781 2.98856 -25.5165 50.0177 -20.0558 2.95661 -21.241 -18.1049 TIMING: 3283600 CPU: 9814.88, 0.00301884/step Wall: 9814.88, 0.00301884/step, 1.43932 hours remaining, 205.937500 MB of memory in use. ENERGY: 3283600 758.4006 2148.8297 1960.3735 110.4380 -206200.4895 17752.0709 0.0000 0.0000 34224.4435 -149245.9333 298.8906 -183470.3768 -149144.2389 299.2759 -28.5001 3.4044 557043.8072 1.7977 1.9577 PRESSURE: 3283800 178.804 -77.7652 -68.3514 -77.7673 12.5439 -10.5762 -68.3518 -10.5763 33.1589 GPRESSURE: 3283800 220.819 -89.645 -10.5528 -43.7448 8.57436 -81.0903 3.44995 -58.1828 91.7152 PRESSAVG: 3283800 -2.48609 -32.1083 12.2663 -32.1083 15.3556 -43.7346 12.2663 -43.7346 -26.4724 GPRESSAVG: 3283800 -1.99289 -33.4934 11.4217 -30.8617 14.1691 -45.4557 12.91 -42.0617 -26.0785 TIMING: 3283800 CPU: 9815.49, 0.00303033/step Wall: 9815.49, 0.00303033/step, 1.44462 hours remaining, 205.937500 MB of memory in use. ENERGY: 3283800 787.6197 2101.3960 1942.2044 111.6468 -206251.8555 17987.1859 0.0000 0.0000 34193.9933 -149127.8093 298.6246 -183321.8026 -149040.7283 299.3984 74.8354 107.0363 556049.7946 -4.5343 -4.6341 PRESSURE: 3284000 11.9204 85.2858 67.3246 85.2852 -161.419 101.662 67.3245 101.661 -70.6417 GPRESSURE: 3284000 70.8983 29.916 63.3699 164.486 -141.485 106.536 85.3849 139.677 -50.3965 PRESSAVG: 3284000 86.7361 46.2317 22.7483 46.2317 -27.4304 66.3468 22.7485 66.3469 -44.7328 GPRESSAVG: 3284000 86.7181 45.8085 23.4811 47.1125 -28.0087 68.2521 21.3648 66.9444 -44.2679 TIMING: 3284000 CPU: 9816.1, 0.00302474/step Wall: 9816.1, 0.00302474/step, 1.44179 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: 3284000 735.0541 2144.4165 1950.1271 110.0471 -206014.8952 17595.8578 0.0000 0.0000 34373.2633 -149106.1292 300.1903 -183479.3925 -149010.2136 299.2502 -73.3803 -40.3276 557700.6828 4.8576 4.8139 PRESSURE: 3284200 35.2683 15.6873 -108.158 15.6875 -49.6264 13.6339 -108.159 13.634 -90.1259 GPRESSURE: 3284200 92.1142 15.4373 -73.5212 61.5957 -17.5114 -10.0554 -176.169 12.9921 -89.8409 PRESSAVG: 3284200 44.1423 -61.2269 5.0714 -61.227 -15.4675 20.5946 5.07147 20.5947 -11.2209 GPRESSAVG: 3284200 43.6427 -59.8719 5.52764 -60.711 -14.5109 20.2959 6.83171 18.9145 -11.5757 TIMING: 3284200 CPU: 9816.7, 0.00299858/step Wall: 9816.7, 0.00299858/step, 1.42915 hours remaining, 205.937500 MB of memory in use. ENERGY: 3284200 730.6629 2064.6332 1931.1686 128.8883 -206029.8007 17726.2507 0.0000 0.0000 34165.8578 -149282.3392 298.3789 -183448.1970 -149187.0591 299.2479 -34.8280 -5.0794 557218.2474 5.8180 5.8520 LDB: ============= START OF LOAD BALANCING ============== 9820.13 LDB: ============== END OF LOAD BALANCING =============== 9820.13 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9820.13 LDB: ============= START OF LOAD BALANCING ============== 9820.44 LDB: Largest compute 4819 load 0.030182 is 25.6% of average load 0.118059 LDB: Average compute 0.001741 is 1.5% of average load 0.118059 LDB: TIME 9820.44 LOAD: AVG 0.118059 MAX 0.214127 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.941 MB LDB: TIME 9820.44 LOAD: AVG 0.118059 MAX 0.214127 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 9820.44 LOAD: AVG 0.118059 MAX 0.214127 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: ============== END OF LOAD BALANCING =============== 9820.44 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9820.45 PRESSURE: 3284400 131.081 207.573 77.3136 207.575 -12.7449 76.2891 77.3149 76.289 -0.267859 GPRESSURE: 3284400 159.135 193.287 80.0333 239.697 -11.4775 38.9488 99.9072 26.4418 78.3146 PRESSAVG: 3284400 35.7124 58.4949 14.598 58.495 3.19152 -19.4115 14.598 -19.4114 -26.465 GPRESSAVG: 3284400 36.6992 57.0913 12.0967 58.353 2.41834 -18.741 16.0524 -18.5569 -27.2662 TIMING: 3284400 CPU: 9817.32, 0.00312087/step Wall: 9817.32, 0.00312087/step, 1.48727 hours remaining, 206.710938 MB of memory in use. ENERGY: 3284400 706.5538 2107.0261 1928.2992 111.7420 -206034.9804 17628.0281 0.0000 0.0000 34355.8944 -149197.4369 300.0386 -183553.3313 -149096.1065 299.1554 39.3560 75.3239 557134.9195 4.1463 3.9504 PRESSURE: 3284600 92.1974 -51.4431 66.3347 -51.443 244.8 -179.664 66.3358 -179.664 -70.2816 GPRESSURE: 3284600 64.4725 52.8712 32.5309 -134.41 348.014 -159.76 109.858 -249.576 -45.426 PRESSAVG: 3284600 99.8626 4.04063 42.1174 4.04067 -50.3064 -87.6673 42.1175 -87.6674 -14.0815 GPRESSAVG: 3284600 98.83 6.37274 42.2958 3.22737 -48.9697 -87.9467 41.4954 -88.2861 -14.0693 TIMING: 3284600 CPU: 9817.92, 0.00299645/step Wall: 9817.92, 0.00299645/step, 1.42781 hours remaining, 206.710938 MB of memory in use. ENERGY: 3284600 765.7885 2132.6326 1958.2415 109.6533 -206322.1803 18005.6289 0.0000 0.0000 34134.1697 -149216.0658 298.1022 -183350.2356 -149121.6966 299.5660 88.9054 122.3535 556769.8175 11.8249 11.9303 PRESSURE: 3284800 -138.402 43.2957 -83.2416 43.2943 -323.697 83.3393 -83.2416 83.3407 -189.961 GPRESSURE: 3284800 -120.293 60.2422 -71.7748 68.1971 -262.845 125.292 -46.0823 -15.64 -178.689 PRESSAVG: 3284800 49.8672 47.3184 -13.5886 47.3184 -15.0203 -20.2838 -13.5886 -20.2839 -20.4782 GPRESSAVG: 3284800 49.6143 46.8626 -11.1231 46.9302 -15.3903 -20.676 -15.9837 -20.9762 -20.4547 TIMING: 3284800 CPU: 9818.52, 0.00299734/step Wall: 9818.52, 0.00299734/step, 1.42807 hours remaining, 206.710938 MB of memory in use. ENERGY: 3284800 768.8666 2084.5497 1913.5781 104.7944 -205486.5420 17396.3233 0.0000 0.0000 34164.9396 -149053.4903 298.3709 -183218.4298 -148959.1465 299.3855 -217.3532 -187.2757 558194.4111 4.7896 4.5898 PRESSURE: 3285000 -169.608 -50.1926 -140.662 -50.1918 -119.148 -7.92354 -140.661 -7.92337 -78.4776 GPRESSURE: 3285000 -155.794 9.06784 -207.609 -114.276 -62.9638 39.001 -93.4523 -12.4291 -47.5927 PRESSAVG: 3285000 -0.187806 27.3026 -28.629 27.3027 -42.4246 3.77296 -28.629 3.77284 -8.54885 GPRESSAVG: 3285000 1.06688 24.083 -28.9345 30.1825 -42.3502 5.27594 -25.5743 3.41461 -9.53853 TIMING: 3285000 CPU: 9819.12, 0.00302325/step Wall: 9819.12, 0.00302325/step, 1.44024 hours remaining, 206.710938 MB of memory in use. ENERGY: 3285000 745.8886 2096.4644 1958.2165 115.4521 -205774.2665 17396.8131 0.0000 0.0000 34543.0140 -148918.4176 301.6727 -183461.4317 -148826.5110 299.8854 -122.4109 -88.7835 556875.8783 -17.0538 -16.9406 PRESSURE: 3285200 -174.419 -45.6293 229.974 -45.6308 58.2753 71.618 229.974 71.6175 74.9525 GPRESSURE: 3285200 -187.692 -71.2349 133.365 -87.1083 42.8257 -6.6419 294.629 139.885 191.928 PRESSAVG: 3285200 3.31765 10.0271 -3.28978 10.0272 -58.4269 8.82314 -3.28966 8.82315 115.647 GPRESSAVG: 3285200 1.66658 12.9691 -4.21322 6.37889 -58.1649 8.95255 -4.88282 9.62642 116.748 TIMING: 3285200 CPU: 9819.73, 0.00301961/step Wall: 9819.73, 0.00301961/step, 1.43834 hours remaining, 206.710938 MB of memory in use. ENERGY: 3285200 728.0621 2078.4281 1941.7615 113.1655 -205742.3528 17616.5587 0.0000 0.0000 34323.3793 -148940.9976 299.7546 -183264.3769 -148842.5102 300.6145 -13.7304 15.6871 556975.5008 20.1793 20.0832 PRESSURE: 3285400 -212.283 -55.2662 91.9251 -55.2669 -230.424 143.552 91.9254 143.552 141.631 GPRESSURE: 3285400 -146.424 -45.7743 93.9583 -54.7424 -231.136 145.992 80.7791 128.13 193.679 PRESSAVG: 3285400 1.37133 28.1893 2.34679 28.1892 -48.7394 64.1823 2.34693 64.1824 52.8256 GPRESSAVG: 3285400 1.87277 27.1136 3.79974 31.638 -48.8807 63.1107 2.20779 64.782 52.3893 TIMING: 3285400 CPU: 9820.33, 0.00300209/step Wall: 9820.33, 0.00300209/step, 1.42983 hours remaining, 206.710938 MB of memory in use. ENERGY: 3285400 751.5009 2072.4021 1952.6600 102.8424 -205657.7035 17629.8309 0.0000 0.0000 34193.3723 -148955.0949 298.6192 -183148.4672 -148857.7854 299.7875 -100.3586 -61.2937 558060.7913 1.8192 1.7938 PRESSURE: 3285600 324.173 165.672 152.34 165.673 119.445 -59.0229 152.34 -59.0218 63.9909 GPRESSURE: 3285600 373.411 138.436 262.9 152.452 108.875 -31.0142 134.065 -51.407 128.527 PRESSAVG: 3285600 -21.8307 -33.5666 58.0365 -33.5666 62.3791 19.5858 58.0365 19.5858 -12.1673 GPRESSAVG: 3285600 -21.5317 -35.7753 59.3354 -35.1357 62.6417 21.9439 58.0907 17.973 -12.6353 TIMING: 3285600 CPU: 9820.93, 0.00302248/step Wall: 9820.93, 0.00302248/step, 1.43937 hours remaining, 206.710938 MB of memory in use. ENERGY: 3285600 755.5220 2083.9154 1920.5962 119.6645 -206378.8189 18097.5845 0.0000 0.0000 34348.9787 -149052.5576 299.9782 -183401.5362 -148964.7936 299.0025 169.2031 203.6042 555392.1257 9.4604 9.4915 PRESSURE: 3285800 -102.547 -36.9858 -128.665 -36.9838 -98.2147 27.4241 -128.665 27.4244 47.9572 GPRESSURE: 3285800 -77.3876 -72.154 -184.701 -27.377 7.55695 -8.06316 -106.54 -50.8705 23.8732 PRESSAVG: 3285800 6.89259 62.3652 42.4155 62.3653 36.9971 -6.04056 42.4155 -6.04058 -8.11645 GPRESSAVG: 3285800 6.11878 65.6669 40.9372 60.7099 36.6936 -9.3844 42.9595 -7.8037 -7.161 TIMING: 3285800 CPU: 9821.53, 0.00300171/step Wall: 9821.53, 0.00300171/step, 1.42931 hours remaining, 206.710938 MB of memory in use. ENERGY: 3285800 721.6030 2020.8772 1912.4728 104.0565 -205743.3619 17814.1181 0.0000 0.0000 34053.3446 -149116.8897 297.3963 -183170.2343 -149021.1258 299.5578 -50.9347 -15.3192 557023.6079 11.9244 11.8838 PRESSURE: 3286000 23.6774 56.7962 -8.39026 56.7964 -200.904 -67.1411 -8.39094 -67.1398 -94.4973 GPRESSURE: 3286000 19.8817 19.5104 -46.8968 94.5194 -171.26 -42.7629 -83.3566 20.1892 -21.4996 PRESSAVG: 3286000 17.719 -13.1303 -6.04888 -13.1304 0.48902 -17.5936 -6.04885 -17.5936 -5.91578 GPRESSAVG: 3286000 18.6103 -13.6201 -4.82631 -11.3161 -0.113151 -17.6366 -6.38649 -13.4013 -6.09446 TIMING: 3286000 CPU: 9822.13, 0.0029694/step Wall: 9822.13, 0.0029694/step, 1.41376 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: 3286000 754.3124 2086.4613 1961.1718 117.5636 -205966.7734 17724.2946 0.0000 0.0000 34232.7693 -149090.2004 298.9633 -183322.9697 -148993.8874 300.1280 -90.5746 -57.6258 557024.7899 4.0974 4.1342 PRESSURE: 3286200 -69.2649 -36.1186 42.5058 -36.1185 -79.5785 45.5255 42.507 45.5276 157.009 GPRESSURE: 3286200 2.73405 -115.984 37.3959 -22.616 -40.5026 -16.4297 -13.225 103.638 137.548 PRESSAVG: 3286200 58.8247 44.1563 -35.4075 44.1562 -90.8291 -7.77456 -35.4075 -7.77458 82.9189 GPRESSAVG: 3286200 59.0602 43.1373 -35.4897 44.1413 -91.0967 -4.21145 -37.3782 -10.4112 83.7856 TIMING: 3286200 CPU: 9822.72, 0.00298186/step Wall: 9822.72, 0.00298186/step, 1.41953 hours remaining, 206.710938 MB of memory in use. ENERGY: 3286200 766.7140 2086.6414 1936.8534 108.0731 -206247.1050 17756.7196 0.0000 0.0000 34516.2678 -149075.8358 301.4392 -183592.1035 -148982.6079 299.7757 2.7218 33.2600 556876.1764 16.9715 17.2497 PRESSURE: 3286400 10.7596 122.235 127.678 122.236 -216.271 -3.44555 127.678 -3.44401 126.022 GPRESSURE: 3286400 57.2422 70.8188 52.438 142.301 -196.199 7.93877 180.714 -1.45391 157.556 PRESSAVG: 3286400 -27.5806 21.4135 29.0335 21.4136 -19.1112 -0.637377 29.0335 -0.637517 23.5663 GPRESSAVG: 3286400 -28.6395 21.9901 27.1921 22.1152 -17.5397 -2.67997 31.6633 -1.59824 23.0498 TIMING: 3286400 CPU: 9823.33, 0.00302113/step Wall: 9823.33, 0.00302113/step, 1.43806 hours remaining, 206.710938 MB of memory in use. ENERGY: 3286400 727.5607 2088.6327 1926.6446 110.6768 -206402.2722 17993.5344 0.0000 0.0000 34331.9290 -149223.2940 299.8293 -183555.2230 -149131.1135 299.2055 -26.4964 6.1999 558298.8536 -7.7085 -7.7098 PRESSURE: 3286600 -223.631 -164.456 -57.1806 -164.455 161.802 107.684 -57.18 107.684 -6.64379 GPRESSURE: 3286600 -200.689 -167.2 2.07874 -125.618 188.257 62.2187 -121.761 61.4094 32.7318 PRESSAVG: 3286600 -18.1822 20.2681 30.0933 20.2682 46.8933 41.5012 30.0932 41.5011 22.1179 GPRESSAVG: 3286600 -17.5007 20.6023 31.2554 18.4853 46.0825 40.9687 29.1233 42.7461 22.2304 TIMING: 3286600 CPU: 9823.93, 0.00300571/step Wall: 9823.93, 0.00300571/step, 1.43055 hours remaining, 206.710938 MB of memory in use. ENERGY: 3286600 715.4287 2119.1152 1941.3596 117.1604 -206168.6243 17778.6017 0.0000 0.0000 34406.5816 -149090.3773 300.4812 -183496.9589 -148999.6652 299.7761 -22.8246 6.7668 556526.4151 16.9430 16.9374 PRESSURE: 3286800 -196.043 86.6703 -8.12239 86.6703 -215.495 -52.0574 -8.12281 -52.0584 -13.741 GPRESSURE: 3286800 -179.652 182.078 -13.5466 21.187 -220.906 -80.7172 -49.6919 -101.317 76.2589 PRESSAVG: 3286800 -118.686 36.9377 -15.1599 36.9377 -26.9412 -3.04595 -15.1599 -3.04577 75.7338 GPRESSAVG: 3286800 -118.814 35.9421 -14.78 38.2504 -26.2496 -3.04594 -15.1101 -3.18823 75.0628 TIMING: 3286800 CPU: 9824.53, 0.0030183/step Wall: 9824.53, 0.0030183/step, 1.43638 hours remaining, 206.710938 MB of memory in use. ENERGY: 3286800 756.7716 2074.6000 1971.4963 106.1360 -205922.1397 17620.1583 0.0000 0.0000 34187.9755 -149205.0020 298.5721 -183392.9775 -149112.9246 299.4658 -141.7600 -108.0995 557916.9563 -23.2977 -23.3336 PRESSURE: 3287000 33.9128 -60.7255 72.1745 -60.725 60.7306 73.0935 72.174 73.0942 57.008 GPRESSURE: 3287000 78.0686 -123.228 64.4431 -42.2912 108.397 89.5805 31.7768 26.6217 63.0033 PRESSAVG: 3287000 -71.0436 -26.4823 -6.27026 -26.4823 63.9945 33.1397 -6.27022 33.1397 -67.7456 GPRESSAVG: 3287000 -70.5416 -27.4196 -6.72092 -25.7872 62.4107 32.8364 -6.13297 34.413 -67.1992 TIMING: 3287000 CPU: 9825.14, 0.00302273/step Wall: 9825.14, 0.00302273/step, 1.43832 hours remaining, 206.710938 MB of memory in use. ENERGY: 3287000 733.2153 2093.1967 1932.5829 107.2525 -206235.7027 17768.1375 0.0000 0.0000 34309.6600 -149291.6578 299.6348 -183601.3178 -149196.6265 298.6377 50.5504 83.1562 556829.0259 -24.9316 -25.1100 PRESSURE: 3287200 -26.5404 120.098 88.8442 120.096 49.8091 161.22 88.844 161.22 59.3768 GPRESSURE: 3287200 -1.96447 86.0208 66.9137 99.9956 90.5032 128.997 101.247 173.688 106.879 PRESSAVG: 3287200 -35.6562 -9.64882 -7.18382 -9.64889 89.2847 -5.21026 -7.18381 -5.21019 7.58275 GPRESSAVG: 3287200 -36.1102 -6.65785 -8.81641 -11.6707 89.227 -4.92041 -5.54165 -6.74503 8.63296 TIMING: 3287200 CPU: 9825.73, 0.00299306/step Wall: 9825.73, 0.00299306/step, 1.42403 hours remaining, 206.710938 MB of memory in use. ENERGY: 3287200 752.9898 2129.8885 1933.5809 110.9523 -206070.6281 17706.2785 0.0000 0.0000 34219.6635 -149217.2747 298.8488 -183436.9382 -149119.0419 299.5377 27.5485 65.1392 557480.2188 20.4038 20.5832 PRESSURE: 3287400 40.9743 -29.898 78.2402 -29.8973 24.9066 49.9308 78.2407 49.931 256.784 GPRESSURE: 3287400 118.969 -83.8521 97.1879 -22.5602 10.1875 25.5847 77.4616 60.5557 278.622 PRESSAVG: 3287400 -53.6714 1.57958 10.2516 1.57961 26.3942 -8.69542 10.2515 -8.69531 12.2914 GPRESSAVG: 3287400 -52.9467 0.665578 13.0107 2.12929 27.2281 -7.87438 8.46592 -8.11978 10.4171 TIMING: 3287400 CPU: 9826.33, 0.00299403/step Wall: 9826.33, 0.00299403/step, 1.42433 hours remaining, 206.710938 MB of memory in use. ENERGY: 3287400 716.6052 2053.1766 1949.5208 107.3087 -205970.5570 17763.1069 0.0000 0.0000 34199.8490 -149180.9898 298.6758 -183380.8389 -149083.6175 299.5646 107.5549 135.9261 556787.8099 -4.9953 -5.1005 PRESSURE: 3287600 -120.091 -30.1506 23.406 -30.1494 168.839 -73.2512 23.4042 -73.2525 54.7617 GPRESSURE: 3287600 -168.462 -87.375 75.5969 -17.8065 252.574 -41.9478 62.8007 -85.2401 114.981 PRESSAVG: 3287600 -29.592 22.8715 -31.118 22.8715 8.55504 -10.4745 -31.1179 -10.4745 -38.8809 GPRESSAVG: 3287600 -30.9415 22.6062 -30.2315 23.246 8.46187 -12.5932 -31.7414 -8.74145 -37.2203 TIMING: 3287600 CPU: 9826.93, 0.00297741/step Wall: 9826.93, 0.00297741/step, 1.41625 hours remaining, 206.710938 MB of memory in use. ENERGY: 3287600 729.7212 2101.1703 1914.0297 107.4898 -206057.7638 17848.8674 0.0000 0.0000 34130.5906 -149225.8948 298.0709 -183356.4854 -149126.5762 298.9411 34.5029 66.3643 557278.7526 -19.9726 -19.9000 PRESSURE: 3287800 84.5195 118.788 25.7852 118.786 69.5163 -72.0725 25.7838 -72.0727 -44.3659 GPRESSURE: 3287800 100.616 133.874 16.4306 84.5222 94.7377 -120.633 18.1406 -34.2166 15.2691 PRESSAVG: 3287800 -14.8545 -17.1064 -9.69766 -17.1064 -45.0841 18.1139 -9.69764 18.114 63.6052 GPRESSAVG: 3287800 -14.0119 -18.0453 -12.135 -16.6542 -44.3651 19.3837 -10.7448 16.4638 61.9357 TIMING: 3287800 CPU: 9827.53, 0.00298219/step Wall: 9827.53, 0.00298219/step, 1.41836 hours remaining, 206.710938 MB of memory in use. ENERGY: 3287800 726.4398 2073.7769 1968.6987 111.7842 -206197.7415 17812.5618 0.0000 0.0000 34208.3414 -149296.1387 298.7500 -183504.4801 -149198.0542 299.3814 36.5567 70.2076 557347.7274 1.2222 1.1863 PRESSURE: 3288000 -34.5709 -57.046 44.8333 -57.0463 44.1017 -149.523 44.8328 -149.522 -28.2979 GPRESSURE: 3288000 30.1624 -103.809 117.594 -22.7515 91.9812 -189.098 24.087 -124.053 -43.7212 PRESSAVG: 3288000 14.4983 2.43591 4.31894 2.43588 -34.1875 -39.4786 4.31893 -39.4785 19.6415 GPRESSAVG: 3288000 15.1814 3.67189 5.2803 2.54286 -34.3496 -41.0922 7.48628 -38.2798 19.894 TIMING: 3288000 CPU: 9828.13, 0.00300578/step Wall: 9828.13, 0.00300578/step, 1.42942 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: 3288000 772.8904 2093.0979 1922.3312 105.4884 -206090.7518 17837.0955 0.0000 0.0000 34243.7199 -149116.1286 299.0589 -183359.8484 -149026.9942 299.6427 -6.2557 26.1408 556608.6395 -0.0159 0.2420 PRESSURE: 3288200 -158.138 -59.1291 240.774 -59.1279 -240.003 16.0562 240.773 16.0568 -93.7242 GPRESSURE: 3288200 -117.274 -82.8685 218.191 -121.345 -226.637 -60.7303 275.538 -18.8349 -57.9568 PRESSAVG: 3288200 -34.5755 -15.4316 54.6861 -15.4315 -32.7759 11.9371 54.6861 11.9371 51.1293 GPRESSAVG: 3288200 -35.4138 -15.206 54.7622 -16.0039 -33.688 14.0463 52.1854 10.5142 52.7238 TIMING: 3288200 CPU: 9828.73, 0.00299843/step Wall: 9828.73, 0.00299843/step, 1.42575 hours remaining, 206.710938 MB of memory in use. ENERGY: 3288200 765.1687 2075.0287 1935.7438 110.0932 -206053.4638 17500.9083 0.0000 0.0000 34382.9046 -149283.6166 300.2745 -183666.5211 -149187.8225 299.3774 -163.9551 -133.9558 558803.2786 -5.4074 -5.4593 LDB: ============= START OF LOAD BALANCING ============== 9832.16 LDB: ============== END OF LOAD BALANCING =============== 9832.16 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9832.16 LDB: ============= START OF LOAD BALANCING ============== 9832.46 LDB: Largest compute 4819 load 0.031183 is 26.4% of average load 0.118110 LDB: Average compute 0.001749 is 1.5% of average load 0.118110 LDB: TIME 9832.46 LOAD: AVG 0.11811 MAX 0.211921 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.605 MB LDB: TIME 9832.46 LOAD: AVG 0.11811 MAX 0.211921 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: TIME 9832.46 LOAD: AVG 0.11811 MAX 0.211921 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: ============== END OF LOAD BALANCING =============== 9832.46 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9832.47 PRESSURE: 3288400 -95.7131 39.0687 132.872 39.0693 -228.375 135.997 132.872 135.996 -2.34001 GPRESSURE: 3288400 -75.3091 -102.76 156.516 30.0088 -197.57 88.8453 92.5265 162.381 58.5078 PRESSAVG: 3288400 -9.48884 -8.38555 70.8023 -8.38547 -41.3363 28.6786 70.8022 28.6787 21.8609 GPRESSAVG: 3288400 -9.47932 -8.73442 71.9774 -6.81273 -40.4472 28.5356 71.0958 29.4991 21.5211 TIMING: 3288400 CPU: 9829.34, 0.00305867/step Wall: 9829.34, 0.00305867/step, 1.45423 hours remaining, 205.800781 MB of memory in use. ENERGY: 3288400 769.1248 2095.1467 1922.5481 123.3702 -205998.5844 17664.5562 0.0000 0.0000 34100.8053 -149323.0331 297.8108 -183423.8384 -149233.1998 298.8203 -108.8093 -71.4572 558060.6827 -9.6547 -9.4685 PRESSURE: 3288600 -211.01 -43.7763 104.662 -43.7768 285.827 63.4212 104.662 63.4224 400.156 GPRESSURE: 3288600 -128.257 66.0134 30.1924 -58.9212 298.764 0.901261 133.868 54.2115 414.772 PRESSAVG: 3288600 -43.5781 35.7934 54.7766 35.7935 -5.05701 50.6165 54.7767 50.6165 53.1388 GPRESSAVG: 3288600 -43.3246 35.0791 53.0892 35.2162 -4.17352 48.798 55.4911 50.561 52.5755 TIMING: 3288600 CPU: 9829.94, 0.00302247/step Wall: 9829.94, 0.00302247/step, 1.43685 hours remaining, 205.800781 MB of memory in use. ENERGY: 3288600 723.9605 2037.1664 1958.7286 112.4504 -205809.6423 17819.9419 0.0000 0.0000 33898.4237 -149258.9708 296.0434 -183157.3945 -149169.3916 298.4874 158.3243 195.0932 557214.9110 1.5012 1.6925 PRESSURE: 3288800 -81.2643 -23.248 -76.5144 -23.2469 1.60177 -20.2349 -76.5135 -20.235 -385.009 GPRESSURE: 3288800 -16.9426 -2.21986 -41.4501 31.0629 31.8116 2.49482 -58.3298 -99.4827 -374.362 PRESSAVG: 3288800 10.3803 23.0074 -26.3399 23.0073 61.2485 34.3928 -26.3398 34.3929 -64.5447 GPRESSAVG: 3288800 11.8218 26.7427 -27.6841 20.8707 59.9236 35.1402 -25.8916 35.5768 -63.3205 TIMING: 3288800 CPU: 9830.55, 0.0030315/step Wall: 9830.55, 0.0030315/step, 1.44097 hours remaining, 206.003906 MB of memory in use. ENERGY: 3288800 751.0181 2092.4763 1925.2237 100.1881 -205932.6628 17640.7238 0.0000 0.0000 34283.3507 -149139.6820 299.4050 -183423.0326 -149053.5508 299.2367 -154.8904 -119.8311 558370.4135 2.3614 2.8083 PRESSURE: 3289000 -433.081 -77.4439 -1.35698 -77.4435 -194.56 46.2476 -1.35712 46.2481 -448.042 GPRESSURE: 3289000 -415.902 -158.243 104.784 -12.0651 -163.991 18.9549 -100.528 150.685 -413.675 PRESSAVG: 3289000 -26.6187 -1.79366 -38.1242 -1.79369 63.4284 -21.1893 -38.1242 -21.1893 -47.2686 GPRESSAVG: 3289000 -27.7576 -3.07075 -35.5567 -2.44273 65.6309 -19.3933 -37.6261 -23.4024 -48.2031 TIMING: 3289000 CPU: 9831.15, 0.00300012/step Wall: 9831.15, 0.00300012/step, 1.42589 hours remaining, 206.003906 MB of memory in use. ENERGY: 3289000 750.1650 2133.2766 1931.3577 121.8451 -205613.4751 17213.2961 0.0000 0.0000 34232.8369 -149230.6976 298.9639 -183463.5346 -149136.1149 299.3439 -358.5609 -331.1895 557480.5232 -3.4863 -3.4433 PRESSURE: 3289200 -167.768 -17.3417 -51.8394 -17.3402 -56.9622 -87.8361 -51.8407 -87.8344 97.8391 GPRESSURE: 3289200 -141.975 34.7122 -71.2033 24.2246 -42.5379 -58.394 -44.5372 -69.6864 164.518 PRESSAVG: 3289200 -5.4434 -17.4846 -58.1225 -17.4846 39.9416 -18.5224 -58.1225 -18.5224 -67.0332 GPRESSAVG: 3289200 -5.07064 -18.8383 -58.7416 -15.8281 39.6609 -18.9117 -58.5732 -18.3354 -66.4415 TIMING: 3289200 CPU: 9831.75, 0.00300207/step Wall: 9831.75, 0.00300207/step, 1.42665 hours remaining, 206.003906 MB of memory in use. ENERGY: 3289200 721.4280 2167.6718 1956.0462 118.3145 -206144.1819 17798.8990 0.0000 0.0000 34248.4701 -149133.3525 299.1004 -183381.8226 -149026.9337 299.8397 -42.2972 -6.6650 558652.6373 -10.8450 -10.6171 PRESSURE: 3289400 20.7591 136.853 113.297 136.852 114.875 67.9137 113.297 67.9108 -9.24798 GPRESSURE: 3289400 26.6862 194.685 -69.9261 77.2461 157.461 174.538 184.944 8.38006 40.8305 PRESSAVG: 3289400 53.4011 -15.5185 -46.3576 -15.5185 -31.4481 8.34007 -46.3577 8.34006 -27.6957 GPRESSAVG: 3289400 53.6836 -15.6741 -45.447 -16.6995 -31.6494 9.99852 -48.4827 7.33185 -27.5839 TIMING: 3289400 CPU: 9832.35, 0.00299039/step Wall: 9832.35, 0.00299039/step, 1.42093 hours remaining, 206.003906 MB of memory in use. ENERGY: 3289400 746.4148 2086.2741 1948.7152 113.1717 -206701.3715 18077.4919 0.0000 0.0000 34465.4546 -149263.8491 300.9954 -183729.3037 -149163.4747 299.6339 42.1287 74.9927 556723.2349 -1.9143 -1.8499 PRESSURE: 3289600 19.4657 64.0807 64.6403 64.08 29.5058 33.7145 64.6402 33.7141 63.4968 GPRESSURE: 3289600 72.9996 62.6457 124.038 91.2571 11.3637 -104.937 3.32461 14.916 135.681 PRESSAVG: 3289600 18.1982 -0.162092 -17.4168 -0.162072 -8.83395 17.804 -17.4168 17.804 30.6182 GPRESSAVG: 3289600 18.8247 -0.00326056 -20.113 0.383149 -9.3488 12.8255 -14.8435 19.244 30.4113 TIMING: 3289600 CPU: 9832.95, 0.00301843/step Wall: 9832.95, 0.00301843/step, 1.43409 hours remaining, 206.003906 MB of memory in use. ENERGY: 3289600 722.9654 2115.0139 1927.6159 127.0728 -206266.0987 17824.2896 0.0000 0.0000 34263.5159 -149285.6253 299.2318 -183549.1412 -149185.2026 299.1386 37.4895 73.3480 556255.6134 13.3275 13.2957 PRESSURE: 3289800 -1.51383 -15.3325 -32.9834 -15.3355 56.9864 36.9441 -32.9847 36.9452 -125.924 GPRESSURE: 3289800 7.21755 22.4166 -6.91113 -61.1112 103.773 112.838 -48.3983 -42.5176 -68.3699 PRESSAVG: 3289800 -70.3615 -15.8614 14.094 -15.8614 41.3924 -43.2108 14.094 -43.2109 -17.8253 GPRESSAVG: 3289800 -71.1818 -15.024 15.4536 -15.4882 41.545 -42.1263 13.6618 -41.8292 -17.6308 TIMING: 3289800 CPU: 9833.56, 0.00305225/step Wall: 9833.56, 0.00305225/step, 1.44999 hours remaining, 206.003906 MB of memory in use. ENERGY: 3289800 740.2145 2128.4908 1912.9068 100.7456 -205946.8175 17618.3430 0.0000 0.0000 34092.9081 -149353.2088 297.7418 -183446.1169 -149254.7512 298.0468 -23.4839 14.2068 556742.8761 -15.5981 -15.7559 PRESSURE: 3290000 -308.2 84.3653 -26.8602 84.3645 -109.234 -92.1953 -26.8599 -92.1949 -28.5775 GPRESSURE: 3290000 -374.782 114.767 -34.4043 140.257 -19.6344 -119.746 -30.9912 -39.7138 47.8841 PRESSAVG: 3290000 -29.4268 64.2161 -20.5432 64.216 18.7841 -46.923 -20.5433 -46.923 7.81206 GPRESSAVG: 3290000 -30.3309 63.0005 -20.642 63.8225 19.6439 -48.2761 -20.3286 -44.8901 7.78194 TIMING: 3290000 CPU: 9834.17, 0.00304494/step Wall: 9834.17, 0.00304494/step, 1.44635 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: 3290000 763.9693 2123.2560 1959.2753 118.4788 -206020.5599 17472.2848 0.0000 0.0000 34093.2232 -149490.0723 297.7446 -183583.2955 -149399.1959 298.8056 -148.6705 -115.5107 557838.9872 -0.9435 -0.9683 PRESSURE: 3290200 81.4444 8.31397 103.067 8.31448 -308.367 127.412 103.067 127.412 -138.604 GPRESSURE: 3290200 89.0565 -87.6733 220.907 59.7077 -218.294 176.91 100.663 92.3216 -134.94 PRESSAVG: 3290200 24.8442 23.6795 -9.13916 23.6796 -29.3946 -19.0104 -9.13919 -19.0104 24.0784 GPRESSAVG: 3290200 24.6859 25.475 -9.26208 22.2938 -29.5127 -17.6521 -7.22295 -21.6078 24.812 TIMING: 3290200 CPU: 9834.78, 0.00304228/step Wall: 9834.78, 0.00304228/step, 1.44492 hours remaining, 206.003906 MB of memory in use. ENERGY: 3290200 758.6034 2126.7888 1924.1568 131.6456 -206417.8843 17714.0288 0.0000 0.0000 34204.0425 -149558.6183 298.7124 -183762.6609 -149459.8227 298.4498 -121.8420 -88.0592 555737.3361 6.5093 6.6617 PRESSURE: 3290400 -159.344 -20.0033 -54.5503 -20.0041 -183.089 -146.668 -54.5505 -146.667 -65.031 GPRESSURE: 3290400 -193.66 -100.49 -38.8364 5.26984 -146.868 -142.696 -46.7384 -199.321 24.1627 PRESSAVG: 3290400 19.3966 -45.4853 13.5062 -45.4853 -59.734 23.8294 13.5061 23.8293 14.6735 GPRESSAVG: 3290400 19.8015 -47.4459 14.1421 -43.9276 -60.0957 25.6145 11.8466 25.1846 14.5909 TIMING: 3290400 CPU: 9835.38, 0.00301541/step Wall: 9835.38, 0.00301541/step, 1.43198 hours remaining, 206.003906 MB of memory in use. ENERGY: 3290400 763.4637 2076.1026 1946.0613 102.1867 -206336.4789 17572.9909 0.0000 0.0000 34272.6792 -149602.9945 299.3118 -183875.6738 -149503.4977 298.8724 -135.8214 -105.4553 557357.0510 -8.5546 -8.5678 PRESSURE: 3290600 74.6407 -1.37437 105.813 -1.37506 -8.17658 43.6867 105.814 43.6864 267.36 GPRESSURE: 3290600 98.6153 13.9998 44.5913 -15.1339 27.0317 103.737 86.6189 45.1579 297.752 PRESSAVG: 3290600 -21.7865 -3.77075 25.6796 -3.77074 -8.64128 26.5261 25.6795 26.5262 48.9646 GPRESSAVG: 3290600 -22.8252 -1.92609 25.1964 -4.06229 -7.84608 25.188 24.384 25.5928 49.9316 TIMING: 3290600 CPU: 9835.99, 0.00302164/step Wall: 9835.99, 0.00302164/step, 1.43477 hours remaining, 206.003906 MB of memory in use. ENERGY: 3290600 766.2799 2174.0644 1933.5216 117.8403 -206680.2578 18065.6297 0.0000 0.0000 34046.7025 -149576.2194 297.3383 -183622.9218 -149486.0774 297.9536 111.2747 141.1329 555919.1899 6.1789 6.4201 PRESSURE: 3290800 322.064 154.312 -14.0343 154.312 -83.7581 127.209 -14.0352 127.211 -115.574 GPRESSURE: 3290800 338.297 118.274 -80.4971 200.959 -60.6643 146.622 -9.20884 51.6224 -63.6416 PRESSAVG: 3290800 33.5977 13.2288 -36.0888 13.2288 -13.8724 14.965 -36.0888 14.9649 -23.4816 GPRESSAVG: 3290800 34.8617 10.9181 -36.1991 15.7223 -15.1271 13.4785 -36.3866 16.6292 -23.7108 TIMING: 3290800 CPU: 9836.59, 0.00304027/step Wall: 9836.59, 0.00304027/step, 1.44345 hours remaining, 206.003906 MB of memory in use. ENERGY: 3290800 741.4452 2111.6243 1957.0580 98.3594 -206527.3945 17859.8992 0.0000 0.0000 34201.5256 -149557.4827 298.6904 -183759.0083 -149469.2319 298.5237 40.9108 71.3305 558033.0263 -1.2521 -1.3254 PRESSURE: 3291000 157.283 -112.381 -140.557 -112.379 -181.06 47.6201 -140.556 47.6186 -323.027 GPRESSURE: 3291000 167.485 -156.133 -82.6803 -119.281 -136.357 74.3329 -95.5675 -13.7831 -274.88 PRESSAVG: 3291000 48.6031 -41.9798 -25.3989 -41.9798 16.8047 -28.848 -25.3989 -28.848 -13.5879 GPRESSAVG: 3291000 48.1683 -40.7769 -25.1633 -44.4532 16.2828 -27.4792 -25.2831 -31.0585 -12.0254 TIMING: 3291000 CPU: 9837.21, 0.00305593/step Wall: 9837.21, 0.00305593/step, 1.45072 hours remaining, 206.003906 MB of memory in use. ENERGY: 3291000 767.3272 2138.3344 1943.0993 106.0570 -206253.5497 17681.1391 0.0000 0.0000 34269.6148 -149347.9778 299.2851 -183617.5926 -149251.3097 299.1125 -115.6013 -81.2506 558831.6759 17.2733 17.4753 PRESSURE: 3291200 -158.41 44.5521 -44.5163 44.5498 -108.973 140.803 -44.5161 140.802 195.687 GPRESSURE: 3291200 -96.8467 -67.2445 -24.2984 65.1824 -114.479 144.246 -128.648 93.7667 237.58 PRESSAVG: 3291200 -35.7349 -29.6601 -15.5842 -29.66 -53.6133 45.8601 -15.5842 45.86 58.7015 GPRESSAVG: 3291200 -34.8865 -30.1352 -16.3801 -27.3832 -53.4188 48.7251 -14.9363 45.7583 57.5866 TIMING: 3291200 CPU: 9837.82, 0.00304917/step Wall: 9837.82, 0.00304917/step, 1.44734 hours remaining, 206.003906 MB of memory in use. ENERGY: 3291200 762.7300 2080.8196 1942.3456 104.9656 -206261.6586 17949.7155 0.0000 0.0000 34004.9154 -149416.1668 296.9734 -183421.0823 -149311.8484 298.9278 -23.8984 8.7514 558145.9577 -10.2156 -10.2395 PRESSURE: 3291400 8.52983 68.3154 14.403 68.3145 -120.893 62.8935 14.4037 62.8933 128.577 GPRESSURE: 3291400 41.0326 70.8514 -7.41483 111.37 -144.322 46.9063 79.9419 74.2197 222.223 PRESSAVG: 3291400 -110.374 45.1819 45.6466 45.1818 -20.0163 27.3836 45.6466 27.3835 119.829 GPRESSAVG: 3291400 -110.652 46.491 46.4855 41.6112 -18.5226 26.7677 45.4579 25.3705 118.582 TIMING: 3291400 CPU: 9838.42, 0.00303474/step Wall: 9838.42, 0.00303474/step, 1.44032 hours remaining, 206.003906 MB of memory in use. ENERGY: 3291400 742.9372 2103.1032 1933.0283 117.0173 -206601.7281 17786.7153 0.0000 0.0000 34349.1166 -149569.8103 299.9794 -183918.9268 -149472.0307 298.2904 5.4048 39.6445 556517.3686 -3.5202 -3.5309 PRESSURE: 3291600 219.744 -42.9795 36.5961 -42.9805 203.368 -3.3672 36.5963 -3.36761 150.843 GPRESSURE: 3291600 216.063 4.52004 30.3966 63.2503 223.616 -18.3827 79.1577 3.08858 212.108 PRESSAVG: 3291600 14.0412 63.5417 7.62341 63.5416 -32.5028 4.19442 7.62344 4.19431 4.77806 GPRESSAVG: 3291600 13.9122 63.1578 6.42398 66.232 -33.3723 1.7879 8.37762 4.99001 5.57363 TIMING: 3291600 CPU: 9839.03, 0.00304774/step Wall: 9839.03, 0.00304774/step, 1.44632 hours remaining, 206.003906 MB of memory in use. ENERGY: 3291600 706.5495 2113.9367 1950.8134 103.7582 -206884.9727 18015.1985 0.0000 0.0000 34291.8303 -149702.8861 299.4791 -183994.7164 -149606.8837 298.6577 191.3182 217.2625 555257.4128 -4.5612 -4.6288 PRESSURE: 3291800 -90.3188 128.878 -129.725 128.878 109.93 8.35126 -129.725 8.35171 193.578 GPRESSURE: 3291800 -87.7571 178.454 -82.493 88.7407 192.295 -0.927166 -196.321 -23.2222 214.262 PRESSAVG: 3291800 16.9589 104.385 73.864 104.385 -13.306 20.531 73.8641 20.5309 9.28916 GPRESSAVG: 3291800 17.8256 104.509 74.2201 102.476 -14.2037 20.5414 73.6421 20.852 9.35992 TIMING: 3291800 CPU: 9839.64, 0.00304198/step Wall: 9839.64, 0.00304198/step, 1.44342 hours remaining, 206.003906 MB of memory in use. ENERGY: 3291800 718.0102 2086.9658 1924.8814 126.2394 -206687.0725 18003.4724 0.0000 0.0000 34180.3616 -149647.1419 298.5056 -183827.5035 -149548.9161 298.0645 71.0631 106.2666 557101.3815 4.3140 4.3272 PRESSURE: 3292000 -101.856 -120.653 -167.221 -120.653 315.822 -145.764 -167.223 -145.763 145.199 GPRESSURE: 3292000 -33.2668 -42.6107 -170.593 -69.2786 343.747 -123.557 -96.9211 -141.897 154.629 PRESSAVG: 3292000 -17.9863 44.982 23.7982 44.982 -73.7429 -74.2133 23.7982 -74.2134 81.5732 GPRESSAVG: 3292000 -17.8666 44.3971 22.4831 45.8605 -72.724 -72.0497 23.9673 -73.1771 80.4023 TIMING: 3292000 CPU: 9840.25, 0.0030291/step Wall: 9840.25, 0.0030291/step, 1.43714 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: 3292000 697.1761 2085.7462 1948.5403 100.3388 -206397.3573 17807.0107 0.0000 0.0000 34148.3391 -149610.2062 298.2259 -183758.5452 -149506.9039 297.8511 119.7217 155.0367 556569.0544 -3.3853 -3.3961 PRESSURE: 3292200 -162.377 9.68379 103.777 9.68243 -253.905 104.133 103.778 104.131 -110.807 GPRESSURE: 3292200 -180.78 18.2052 112.715 26.6605 -188.585 85.0156 67.9542 101.775 -69.4393 PRESSAVG: 3292200 -58.3099 54.0811 10.6847 54.0811 -41.7187 -26.8014 10.6847 -26.8013 58.6951 GPRESSAVG: 3292200 -59.0651 54.1791 12.2408 54.7923 -42.9669 -28.0599 11.6557 -27.0395 59.9708 TIMING: 3292200 CPU: 9840.86, 0.00304955/step Wall: 9840.86, 0.00304955/step, 1.44667 hours remaining, 206.003906 MB of memory in use. ENERGY: 3292200 766.7532 2107.2247 1942.6868 103.4883 -205934.7420 17522.6688 0.0000 0.0000 34075.5352 -149416.3850 297.5901 -183491.9203 -149320.5458 298.6217 -175.6963 -146.2682 557387.9725 -13.7778 -14.0204 LDB: ============= START OF LOAD BALANCING ============== 9844.29 LDB: ============== END OF LOAD BALANCING =============== 9844.29 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9844.29 LDB: ============= START OF LOAD BALANCING ============== 9844.6 LDB: Largest compute 4819 load 0.031027 is 26.3% of average load 0.118059 LDB: Average compute 0.001742 is 1.5% of average load 0.118059 LDB: TIME 9844.6 LOAD: AVG 0.118059 MAX 0.213824 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.797 MB LDB: TIME 9844.6 LOAD: AVG 0.118059 MAX 0.213824 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.859 MB LDB: TIME 9844.6 LOAD: AVG 0.118059 MAX 0.213824 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.859 MB LDB: ============== END OF LOAD BALANCING =============== 9844.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9844.61 PRESSURE: 3292400 96.2198 -161.208 53.2848 -161.208 26.4866 -17.3936 53.2864 -17.3928 -168.142 GPRESSURE: 3292400 141.719 -161.88 118.038 -163.168 63.8885 -43.5784 -3.87523 77.073 -148.93 PRESSAVG: 3292400 -20.7362 8.63821 34.4615 8.63817 14.3284 37.0195 34.4615 37.0193 8.0724 GPRESSAVG: 3292400 -21.3222 8.17033 34.9644 7.74011 15.4001 37.4943 32.7277 36.3327 7.41075 TIMING: 3292400 CPU: 9841.48, 0.00310312/step Wall: 9841.48, 0.00310312/step, 1.47191 hours remaining, 205.941406 MB of memory in use. ENERGY: 3292400 734.7186 2103.3671 1946.4340 118.4075 -206435.7013 17932.3313 0.0000 0.0000 34280.5858 -149319.8570 299.3809 -183600.4429 -149230.0028 299.3545 -15.1451 18.8927 557448.0063 0.5549 0.4962 PRESSURE: 3292600 -50.0357 11.8781 -33.1819 11.8793 231.824 -91.7418 -33.1822 -91.742 140.116 GPRESSURE: 3292600 -18.7539 -51.8075 17.7422 -19.0694 219.165 -83.5909 -92.7726 -23.4521 203.37 PRESSAVG: 3292600 10.8791 -24.1049 -30.8659 -24.1049 -19.1264 32.6957 -30.8659 32.6956 -6.48823 GPRESSAVG: 3292600 10.7549 -24.4359 -29.4722 -23.9158 -17.9586 32.5663 -32.6994 33.409 -7.70116 TIMING: 3292600 CPU: 9842.08, 0.00302087/step Wall: 9842.08, 0.00302087/step, 1.43273 hours remaining, 205.941406 MB of memory in use. ENERGY: 3292600 712.2583 2069.9423 1947.0196 112.5117 -206189.8751 17778.9177 0.0000 0.0000 34297.3148 -149271.9106 299.5270 -183569.2254 -149181.0022 299.3244 107.3015 134.5936 557157.5041 -4.9118 -4.9683 PRESSURE: 3292800 -141.378 -2.2816 170.557 -2.28093 85.0767 -53.4727 170.558 -53.4733 -88.3747 GPRESSURE: 3292800 -114.272 133.81 118.96 14.4102 119.496 -89.3221 201.035 -63.0114 -43.1959 PRESSAVG: 3292800 10.3116 0.353488 -10.1611 0.353689 -32.7077 -41.1616 -10.1611 -41.1615 29.0575 GPRESSAVG: 3292800 11.5711 2.65683 -12.4364 0.00612836 -34.2492 -41.6913 -8.90817 -40.5996 28.9199 TIMING: 3292800 CPU: 9842.69, 0.00305099/step Wall: 9842.69, 0.00305099/step, 1.44685 hours remaining, 205.941406 MB of memory in use. ENERGY: 3292800 685.0151 2127.7178 1947.1234 124.4670 -205961.0114 17468.0479 0.0000 0.0000 34327.5757 -149281.0646 299.7913 -183608.6403 -149183.7282 298.7520 -48.2253 -12.6572 558287.3593 2.2204 2.0806 PRESSURE: 3293000 -46.2111 80.1594 -89.8268 80.1606 -234.001 -121.315 -89.826 -121.315 56.1003 GPRESSURE: 3293000 -44.7119 124.397 -105.536 41.4376 -161.334 -71.8947 -63.4209 -96.2009 79.188 PRESSAVG: 3293000 -32.1643 -38.0279 74.0719 -38.0278 29.9989 -62.163 74.072 -62.163 18.34 GPRESSAVG: 3293000 -33.0946 -35.8782 72.1545 -39.9423 29.5184 -60.6217 77.2291 -64.514 20.0194 TIMING: 3293000 CPU: 9843.3, 0.0030588/step Wall: 9843.3, 0.0030588/step, 1.45038 hours remaining, 205.941406 MB of memory in use. ENERGY: 3293000 739.6972 2114.1168 1937.0882 110.1525 -205923.4291 17526.8589 0.0000 0.0000 34266.7795 -149228.7360 299.2603 -183495.5156 -149129.4965 298.8293 -74.7040 -42.2861 557036.7219 5.3916 5.4811 PRESSURE: 3293200 -13.1716 72.5657 55.9988 72.5652 -25.5214 9.23459 55.999 9.23662 -44.7843 GPRESSURE: 3293200 15.6123 33.332 -13.937 46.5899 -9.05301 2.12222 70.6012 -14.7481 -8.65235 PRESSAVG: 3293200 -2.11216 -7.68797 117.114 -7.68792 -60.7463 -5.08387 117.114 -5.08384 88.162 GPRESSAVG: 3293200 -2.82118 -11.4178 117.961 -7.06606 -58.8282 -6.52533 116.12 -1.87737 86.3672 TIMING: 3293200 CPU: 9843.91, 0.00303051/step Wall: 9843.91, 0.00303051/step, 1.4368 hours remaining, 205.941406 MB of memory in use. ENERGY: 3293200 728.7781 2093.4745 1938.2356 111.2865 -205900.5161 17621.5101 0.0000 0.0000 34083.1530 -149324.0784 297.6567 -183407.2314 -149223.8892 298.5652 -27.8258 -0.6977 555902.5849 8.4345 8.2393 PRESSURE: 3293400 -68.5878 260.876 42.4991 260.876 -235.326 -61.6497 42.4985 -61.6467 -290.702 GPRESSURE: 3293400 -53.6336 240.83 91.8374 250.848 -173.406 -114.732 -6.31663 -73.2378 -276.371 PRESSAVG: 3293400 8.56697 23.7017 38.5362 23.7017 -41.0262 -9.22871 38.5362 -9.22851 -11.2756 GPRESSAVG: 3293400 8.42864 21.4595 39.2101 25.5894 -41.1219 -11.2399 39.0813 -9.73244 -10.9441 TIMING: 3293400 CPU: 9844.51, 0.00302639/step Wall: 9844.51, 0.00302639/step, 1.43468 hours remaining, 205.941406 MB of memory in use. ENERGY: 3293400 737.7931 2105.1626 1934.2406 107.7081 -205653.5398 17340.5844 0.0000 0.0000 34239.3713 -149188.6797 299.0209 -183428.0510 -149092.5101 298.1215 -198.2055 -167.8033 558583.0180 -14.5783 -14.5458 PRESSURE: 3293600 35.2276 -20.8004 67.1904 -20.8012 -77.3307 -125.477 67.1914 -125.479 58.7148 GPRESSURE: 3293600 51.8369 -4.61283 54.6249 -17.7593 -32.4766 -157.595 84.7529 -53.3133 106.849 PRESSAVG: 3293600 0.935814 51.475 3.97465 51.475 -8.64366 -73.0986 3.97473 -73.0985 -14.595 GPRESSAVG: 3293600 1.65097 52.3269 5.21557 49.4655 -9.87209 -69.7396 2.75016 -75.2755 -13.7339 TIMING: 3293600 CPU: 9845.12, 0.00302605/step Wall: 9845.12, 0.00302605/step, 1.43435 hours remaining, 205.941406 MB of memory in use. ENERGY: 3293600 768.5778 2072.5735 1946.7823 120.7180 -205980.2932 17717.2759 0.0000 0.0000 34148.4017 -149205.9641 298.2265 -183354.3657 -149115.7847 298.6995 5.5372 42.0698 556914.6131 -7.4343 -7.3183 PRESSURE: 3293800 -107.65 -56.9763 0.0560871 -56.9778 115.928 -19.0318 0.0552963 -19.0312 228.794 GPRESSURE: 3293800 -45.9467 -42.0831 -45.5447 -127.293 109.763 26.4301 -3.63966 -54.4536 275.283 PRESSAVG: 3293800 13.5243 17.6829 12.4993 17.6829 -35.3524 -47.5145 12.4994 -47.5145 2.02194 GPRESSAVG: 3293800 12.0707 17.6719 11.9368 18.6127 -34.2718 -49.1395 11.7101 -45.7415 2.40397 TIMING: 3293800 CPU: 9845.73, 0.00305349/step Wall: 9845.73, 0.00305349/step, 1.44718 hours remaining, 205.941406 MB of memory in use. ENERGY: 3293800 764.7969 2105.0713 1928.2188 104.9371 -206822.4284 18116.1963 0.0000 0.0000 34489.2455 -149313.9626 301.2032 -183803.2081 -149223.6529 298.9903 79.0236 113.0332 555717.8320 -6.6021 -6.5990 PRESSURE: 3294000 -188.259 -73.5711 -23.7087 -73.5711 -301.738 -70.7166 -23.7081 -70.7171 -175.645 GPRESSURE: 3294000 -121.225 -13.1427 -119.76 -92.6537 -306.262 12.0051 -15.5884 -41.0518 -136.959 PRESSAVG: 3294000 3.03534 -5.641 -8.3029 -5.641 -41.7616 -19.7926 -8.30289 -19.7925 56.1002 GPRESSAVG: 3294000 4.83058 -5.7805 -9.09958 -3.92457 -41.8352 -19.1968 -7.02926 -19.9624 54.1629 TIMING: 3294000 CPU: 9846.34, 0.00303522/step Wall: 9846.34, 0.00303522/step, 1.43836 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: 3294000 730.1745 2090.1848 1941.1279 114.1523 -205896.0758 17513.0136 0.0000 0.0000 34056.9323 -149450.4903 297.4277 -183507.4226 -149340.7567 298.8784 -221.8808 -188.1487 558146.7530 5.7913 5.7194 PRESSURE: 3294200 71.7086 51.5132 30.6468 51.5132 -132.755 -111.403 30.6473 -111.401 -119.052 GPRESSURE: 3294200 85.4761 115.974 10.6224 78.0407 -137.975 -48.0485 117.367 -150.357 -21.859 PRESSAVG: 3294200 -16.621 -17.7057 -10.771 -17.7057 48.6851 -14.5612 -10.771 -14.5611 1.6686 GPRESSAVG: 3294200 -17.8282 -17.0602 -11.0382 -18.4767 48.135 -16.4103 -10.8651 -14.4291 3.56179 TIMING: 3294200 CPU: 9846.94, 0.00303602/step Wall: 9846.94, 0.00303602/step, 1.43857 hours remaining, 205.941406 MB of memory in use. ENERGY: 3294200 745.0513 2100.3588 1937.1950 98.9478 -206136.9641 17739.4284 0.0000 0.0000 34318.0322 -149197.9506 299.7079 -183515.9828 -149098.4183 298.7969 -60.0326 -24.7859 559044.0203 11.2442 11.2895 PRESSURE: 3294400 69.741 -115.42 112.554 -115.419 -156.108 30.6577 112.553 30.6581 3.57927 GPRESSURE: 3294400 128.212 -93.1095 107.581 -108.95 -133.095 31.023 75.9404 61.4656 11.109 PRESSAVG: 3294400 42.1434 -54.2979 11.3433 -54.2979 -41.761 48.0358 11.3434 48.0358 7.64503 GPRESSAVG: 3294400 41.2459 -54.512 12.4754 -53.9459 -41.4644 48.1736 11.4366 47.4254 8.19473 TIMING: 3294400 CPU: 9847.55, 0.00303803/step Wall: 9847.55, 0.00303803/step, 1.43935 hours remaining, 205.941406 MB of memory in use. ENERGY: 3294400 736.9568 2108.5798 1954.4590 115.1830 -206481.0540 18055.7081 0.0000 0.0000 34388.4184 -149121.7489 300.3226 -183510.1673 -149022.2832 299.2721 -27.5958 2.0756 558457.0734 2.6758 2.6587 PRESSURE: 3294600 -97.6943 -51.3891 74.5264 -51.3884 36.4425 -97.4297 74.5266 -97.4298 103.423 GPRESSURE: 3294600 -77.3638 -98.6721 138.716 -22.8822 74.852 -71.4065 29.6236 -111.025 138.725 PRESSAVG: 3294600 1.26122 14.4334 42.6377 14.4335 1.25613 -13.8881 42.6378 -13.888 -4.08589 GPRESSAVG: 3294600 2.28828 13.4109 42.6092 14.4119 1.47319 -10.9225 41.0715 -14.5316 -5.09675 TIMING: 3294600 CPU: 9848.16, 0.00303474/step Wall: 9848.16, 0.00303474/step, 1.43763 hours remaining, 205.941406 MB of memory in use. ENERGY: 3294600 719.1193 2121.4713 1965.7300 118.8861 -206117.4838 17738.1455 0.0000 0.0000 34325.1682 -149128.9633 299.7702 -183454.1316 -149034.2201 299.2721 14.0571 45.4045 558734.2616 -0.5228 -0.4451 PRESSURE: 3294800 79.7535 92.4627 152.507 92.4626 -346.936 65.9277 152.506 65.9296 -138.553 GPRESSURE: 3294800 121.066 159.115 241.022 76.1307 -303.149 25.9339 181.16 -5.31023 -126.083 PRESSAVG: 3294800 42.0894 -18.3739 16.6836 -18.3739 -50.4161 -13.0546 16.6836 -13.0545 -6.46451 GPRESSAVG: 3294800 43.2878 -16.2264 17.501 -18.535 -49.5876 -11.3703 17.6789 -13.1278 -7.74339 TIMING: 3294800 CPU: 9848.76, 0.00303226/step Wall: 9848.76, 0.00303226/step, 1.43628 hours remaining, 205.941406 MB of memory in use. ENERGY: 3294800 739.8836 2069.9355 1955.5921 112.3404 -205567.0779 17442.2685 0.0000 0.0000 34069.1467 -149177.9111 297.5343 -183247.0578 -149086.1777 299.3715 -135.2450 -102.7222 558533.3431 -4.9304 -4.6811 PRESSURE: 3295000 -47.9761 -6.26054 91.9603 -6.25974 -136.904 28.4483 91.9612 28.4496 -139.955 GPRESSURE: 3295000 -1.81029 65.5797 136.823 -50.7712 -125.671 -33.8387 34.3844 76.0875 -102.767 PRESSAVG: 3295000 -18.9172 -29.364 25.2532 -29.3639 -24.2564 -7.33543 25.253 -7.33541 5.50924 GPRESSAVG: 3295000 -19.4797 -31.1616 21.1158 -28.8858 -24.0899 -10.3731 27.0662 -6.00211 5.68155 TIMING: 3295000 CPU: 9849.37, 0.00301262/step Wall: 9849.37, 0.00301262/step, 1.42681 hours remaining, 205.941406 MB of memory in use. ENERGY: 3295000 731.7978 2065.4687 1922.4024 111.8709 -206032.2294 17677.8277 0.0000 0.0000 34358.8849 -149163.9770 300.0647 -183522.8619 -149070.9429 298.9884 -108.2784 -76.7494 558040.4409 -12.5548 -12.6294 PRESSURE: 3295200 -44.253 329.374 43.3452 329.373 92.7171 -346.063 43.3446 -346.064 156.024 GPRESSURE: 3295200 -42.8622 280.305 86.5465 307.996 113.777 -324.803 24.8679 -366.161 227.025 PRESSAVG: 3295200 29.321 -50.301 14.8471 -50.3011 -7.5455 -44.9582 14.8471 -44.9583 -1.97014 GPRESSAVG: 3295200 27.6187 -48.9702 19.3106 -50.636 -7.80885 -43.4487 12.5629 -46.4911 -0.436616 TIMING: 3295200 CPU: 9849.98, 0.00303867/step Wall: 9849.98, 0.00303867/step, 1.43898 hours remaining, 205.941406 MB of memory in use. ENERGY: 3295200 763.1987 2068.3015 1947.3963 106.5905 -206200.4045 17782.4121 0.0000 0.0000 34529.9579 -149002.5475 301.5587 -183532.5054 -148909.7917 299.9163 68.1628 99.3133 555294.5486 6.6018 6.4578 PRESSURE: 3295400 -227.3 143.972 49.7438 143.971 -240.118 -14.796 49.7439 -14.7954 -294.193 GPRESSURE: 3295400 -169.581 19.9623 81.6088 197.845 -254.176 -2.83823 92.096 -61.5281 -227.178 PRESSAVG: 3295400 -4.62589 -3.50316 -16.9878 -3.50312 -50.2874 -10.4334 -16.9878 -10.4333 30.3855 GPRESSAVG: 3295400 -2.67606 -4.06252 -18.1142 -5.0134 -50.5176 -12.3492 -16.44 -7.54819 28.6817 TIMING: 3295400 CPU: 9850.58, 0.00303383/step Wall: 9850.58, 0.00303383/step, 1.43652 hours remaining, 205.941406 MB of memory in use. ENERGY: 3295400 739.2855 2046.6913 1954.8331 112.5095 -205960.1291 17431.9501 0.0000 0.0000 34536.0520 -149138.8075 301.6119 -183674.8596 -149034.7218 300.3508 -253.8702 -216.9783 556884.8646 -8.1759 -8.1707 PRESSURE: 3295600 -49.5628 51.0024 123.13 51.0017 35.8763 -77.019 123.13 -77.0189 -149.708 GPRESSURE: 3295600 36.665 86.6785 116.998 41.0333 17.8803 -102.713 36.4605 -13.4901 -134.752 PRESSAVG: 3295600 26.4061 20.66 -3.48461 20.66 -41.6269 11.1047 -3.48457 11.1046 -41.9102 GPRESSAVG: 3295600 26.3364 22.0344 -4.03658 20.6099 -41.9358 12.5633 -2.69684 9.77791 -41.0787 TIMING: 3295600 CPU: 9851.19, 0.00305021/step Wall: 9851.19, 0.00305021/step, 1.4441 hours remaining, 205.941406 MB of memory in use. ENERGY: 3295600 742.8395 2107.2509 1949.6549 110.7317 -206080.1598 17621.9554 0.0000 0.0000 34359.9258 -149187.8017 300.0738 -183547.7274 -149093.3439 300.0006 -54.4648 -26.7357 556027.8054 -19.0437 -18.8927 PRESSURE: 3295800 -9.73575 309.463 41.472 309.464 17.334 235.446 41.4716 235.446 119.527 GPRESSURE: 3295800 -0.259652 257.632 19.9579 326.782 102.756 254.053 61.8405 194.952 108.168 PRESSAVG: 3295800 -23.0777 19.6867 -34.7744 19.6867 33.8523 17.7649 -34.7744 17.765 -9.52123 GPRESSAVG: 3295800 -23.7379 18.9275 -37.2897 21.1877 34.9102 17.6137 -32.3076 17.4487 -9.69577 TIMING: 3295800 CPU: 9851.8, 0.00303633/step Wall: 9851.8, 0.00303633/step, 1.43737 hours remaining, 205.941406 MB of memory in use. ENERGY: 3295800 711.0552 2097.8524 1951.0069 124.0396 -206138.2428 17698.6583 0.0000 0.0000 34280.5908 -149275.0398 299.3809 -183555.6306 -149179.8180 299.2971 42.3752 70.2214 556757.8659 0.4178 0.4922 PRESSURE: 3296000 -18.5919 57.2381 -127.391 57.238 -38.2073 -42.862 -127.391 -42.8616 -110.65 GPRESSURE: 3296000 -30.1971 48.9662 -111.45 57.4996 -3.73038 -34.4746 -176.79 -20.3357 -38.9916 PRESSAVG: 3296000 19.4552 35.9036 -52.5034 35.9035 -20.2314 -19.5774 -52.5035 -19.5773 29.8617 GPRESSAVG: 3296000 19.4425 36.3862 -47.5537 34.9414 -21.0829 -21.0795 -57.7218 -18.4831 30.5479 TIMING: 3296000 CPU: 9852.4, 0.00301798/step Wall: 9852.4, 0.00301798/step, 1.42851 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: 3296000 734.1561 2031.0084 1943.9062 129.3468 -206207.8970 17773.3108 0.0000 0.0000 34220.4615 -149375.7072 298.8558 -183596.1688 -149275.3663 299.0484 -55.8165 -24.3064 556879.6674 9.6952 9.6358 PRESSURE: 3296200 -29.7364 59.0519 70.2122 59.0522 162.451 -24.6401 70.2126 -24.6407 133.644 GPRESSURE: 3296200 -28.7742 166.919 52.2859 -19.1298 197.969 6.56046 71.4087 19.0078 207.556 PRESSAVG: 3296200 44.4057 27.773 3.20003 27.7729 -26.3192 34.6261 3.20016 34.626 -46.3717 GPRESSAVG: 3296200 43.576 28.1798 2.14409 28.0244 -25.5327 35.7368 5.57801 32.4819 -46.3648 TIMING: 3296200 CPU: 9853, 0.00300199/step Wall: 9853, 0.00300199/step, 1.42078 hours remaining, 205.941406 MB of memory in use. ENERGY: 3296200 730.4030 2054.9853 1950.5130 103.5928 -206378.5066 17957.5512 0.0000 0.0000 34345.3153 -149236.1459 299.9462 -183581.4612 -149139.1717 299.4663 88.7861 125.5836 556913.5304 -9.4284 -9.4405 LDB: ============= START OF LOAD BALANCING ============== 9856.44 LDB: ============== END OF LOAD BALANCING =============== 9856.44 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9856.44 LDB: ============= START OF LOAD BALANCING ============== 9856.74 LDB: Largest compute 4819 load 0.030264 is 25.7% of average load 0.117961 LDB: Average compute 0.001740 is 1.5% of average load 0.117961 LDB: TIME 9856.74 LOAD: AVG 0.117961 MAX 0.211505 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.484 MB LDB: TIME 9856.74 LOAD: AVG 0.117961 MAX 0.211505 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: TIME 9856.74 LOAD: AVG 0.117961 MAX 0.211505 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9856.75 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9856.75 PRESSURE: 3296400 -253.899 -104.384 53.3084 -104.385 -28.8039 15.8593 53.3076 15.862 77.7593 GPRESSURE: 3296400 -151.023 -51.1417 -10.9083 -147.13 -29.2615 117.755 78.7634 3.08567 86.3677 PRESSAVG: 3296400 12.6269 3.06887 -50.0905 3.06882 20.0732 -0.95648 -50.0906 -0.956457 15.3909 GPRESSAVG: 3296400 13.073 1.46084 -51.6529 4.59267 19.6504 1.03314 -48.3219 -1.40587 15.1181 TIMING: 3296400 CPU: 9853.62, 0.003089/step Wall: 9853.62, 0.00308899/step, 1.46178 hours remaining, 207.957031 MB of memory in use. ENERGY: 3296400 768.0968 2121.2145 1925.2515 102.4051 -206323.0745 17852.9525 0.0000 0.0000 34249.4519 -149303.7021 299.1090 -183553.1540 -149208.3693 299.5103 -68.3147 -31.3056 557505.2098 16.0303 15.9472 PRESSURE: 3296600 -236.887 78.1774 22.1877 78.1773 68.5689 -138.974 22.1879 -138.974 -16.8474 GPRESSURE: 3296600 -194.164 95.0687 -47.2225 -51.9411 112.334 -183 97.45 -176.512 -1.3531 PRESSAVG: 3296600 -12.1355 6.02267 -39.8809 6.02275 9.30456 5.88521 -39.8809 5.88519 -18.2623 GPRESSAVG: 3296600 -13.1569 5.40772 -40.7688 4.5181 9.50018 2.80802 -40.9285 8.25264 -17.4112 TIMING: 3296600 CPU: 9854.23, 0.00303356/step Wall: 9854.23, 0.00303356/step, 1.43538 hours remaining, 208.160156 MB of memory in use. ENERGY: 3296600 717.2338 2109.3076 1951.9494 123.1021 -206087.9072 17825.3649 0.0000 0.0000 34117.1913 -149243.7580 297.9539 -183360.9493 -149146.9758 298.7474 -61.7218 -27.7276 557768.8419 -7.0311 -7.0227 PRESSURE: 3296800 175.16 68.6146 69.1496 68.6155 106.124 37.1607 69.1487 37.1614 135.003 GPRESSURE: 3296800 194.633 105.038 17.6508 -3.35192 96.0904 17.633 44.8231 15.7713 228.402 PRESSAVG: 3296800 -21.6474 23.7887 -2.52093 23.7887 13.6142 -17.7819 -2.52094 -17.7818 -4.82498 GPRESSAVG: 3296800 -20.7868 27.0506 -0.506637 22.6575 13.3596 -16.6265 -2.17037 -18.194 -5.7157 TIMING: 3296800 CPU: 9854.84, 0.00306618/step Wall: 9854.84, 0.00306618/step, 1.45064 hours remaining, 208.160156 MB of memory in use. ENERGY: 3296800 729.7700 2057.5982 1963.6481 114.5049 -206794.0016 18190.8068 0.0000 0.0000 34385.0217 -149352.6519 300.2929 -183737.6736 -149261.3660 299.0716 138.7622 173.0420 556588.2921 -4.2861 -4.3810 PRESSURE: 3297000 -62.2716 -131.962 -4.26147 -131.961 305.456 -162.985 -4.2605 -162.985 140.898 GPRESSURE: 3297000 30.3497 -38.6334 9.47396 -157.327 335.301 -135.475 -90.9651 -143.618 115.148 PRESSAVG: 3297000 -41.7305 44.7697 30.503 44.7699 59.9076 1.29977 30.503 1.2998 -23.6976 GPRESSAVG: 3297000 -40.9575 42.4896 28.1448 46.9541 59.451 2.07817 30.769 0.930978 -24.3132 TIMING: 3297000 CPU: 9855.46, 0.0030727/step Wall: 9855.46, 0.0030727/step, 1.45356 hours remaining, 208.160156 MB of memory in use. ENERGY: 3297000 727.2187 2113.4320 1935.2621 129.5584 -206527.4175 17932.7659 0.0000 0.0000 34457.8685 -149231.3118 300.9291 -183689.1803 -149139.8236 298.9318 128.0274 160.2665 556597.6708 -1.8402 -1.9399 PRESSURE: 3297200 92.4018 -34.2503 123.45 -34.2499 33.4912 15.5123 123.45 15.5114 -89.8122 GPRESSURE: 3297200 101.263 -46.8387 139.134 -55.6979 71.8982 6.35986 47.0437 62.181 -36.5565 PRESSAVG: 3297200 -5.0814 -63.8532 57 -63.8531 26.5429 -34.6355 57 -34.6356 -48.9822 GPRESSAVG: 3297200 -5.38865 -63.2678 59.6673 -64.2331 27.7298 -33.767 54.8026 -34.1869 -49.8712 TIMING: 3297200 CPU: 9856.06, 0.00303635/step Wall: 9856.06, 0.00303635/step, 1.43619 hours remaining, 208.160156 MB of memory in use. ENERGY: 3297200 739.9256 2163.7203 1957.2856 117.1850 -206083.3804 17776.6723 0.0000 0.0000 34089.2290 -149239.3625 297.7097 -183328.5916 -149140.7265 298.8367 12.0269 45.5351 558082.8066 -9.1736 -9.1767 PRESSURE: 3297400 -24.7826 -67.8598 24.58 -67.8597 -137.71 61.8261 24.5799 61.8243 -15.5635 GPRESSURE: 3297400 -66.0834 -123.69 18.9054 -69.0092 -61.2064 105.578 14.0353 11.1931 43.2701 PRESSAVG: 3297400 -3.25416 -37.0206 27.175 -37.0205 32.3465 -12.2492 27.175 -12.2493 22.4731 GPRESSAVG: 3297400 -3.08655 -36.9819 26.9971 -37.8046 30.2744 -12.5374 28.2742 -14.4114 23.9695 TIMING: 3297400 CPU: 9856.67, 0.00304868/step Wall: 9856.67, 0.00304868/step, 1.44186 hours remaining, 208.160156 MB of memory in use. ENERGY: 3297400 720.0637 2084.8614 1948.2348 119.5573 -206135.8740 17746.2014 0.0000 0.0000 34228.6747 -149288.2807 298.9275 -183516.9554 -149190.6444 298.8348 -59.3519 -28.0066 557283.4215 17.1885 17.0524 PRESSURE: 3297600 -18.4337 54.8654 111.912 54.8656 -72.5182 -37.541 111.911 -37.5414 -103.251 GPRESSURE: 3297600 15.6882 102.309 134.593 1.03135 -2.62865 42.4218 108.231 -112.216 -102.663 PRESSAVG: 3297600 36.0921 -49.9233 -26.2397 -49.9232 -29.7776 4.91047 -26.2397 4.9105 0.133536 GPRESSAVG: 3297600 35.0139 -50.5058 -25.0049 -49.5325 -30.0751 3.25836 -25.5981 5.54019 1.00811 TIMING: 3297600 CPU: 9857.28, 0.00304682/step Wall: 9857.28, 0.00304682/step, 1.44081 hours remaining, 208.160156 MB of memory in use. ENERGY: 3297600 714.3464 2102.3092 1942.8437 114.2407 -206137.8362 17728.0358 0.0000 0.0000 34083.4985 -149452.5619 297.6597 -183536.0605 -149347.0211 298.9293 -64.7341 -29.8679 557571.9195 2.1493 1.9823 PRESSURE: 3297800 59.6482 57.158 -20.702 57.1577 101.3 -43.854 -20.7019 -43.8543 -154.363 GPRESSURE: 3297800 46.4137 146.184 -6.99766 109.906 150.642 -52.6564 -30.0683 -69.6172 -100.398 PRESSAVG: 3297800 23.1342 -22.8708 37.8264 -22.8708 -11.2868 11.832 37.8264 11.8319 -2.1795 GPRESSAVG: 3297800 23.0373 -23.0274 34.7958 -23.8525 -10.0908 10.3128 38.8809 13.5449 -3.29625 TIMING: 3297800 CPU: 9857.89, 0.00302607/step Wall: 9857.89, 0.00302607/step, 1.43082 hours remaining, 208.160156 MB of memory in use. ENERGY: 3297800 706.3189 2100.2270 1917.0171 112.2848 -206377.7102 17866.1800 0.0000 0.0000 34123.0559 -149552.6266 298.0051 -183675.6825 -149455.0447 297.8642 2.1952 32.2193 557988.5221 3.2226 3.2168 PRESSURE: 3298000 -241.101 28.4069 -147.738 28.4071 -102.207 -49.5919 -147.74 -49.5913 -99.941 GPRESSURE: 3298000 -207.181 57.5524 -178.303 -74.08 -79.7026 -31.0332 -202.165 -86.4511 -49.2561 PRESSAVG: 3298000 32.142 37.3135 25.7226 37.3136 23.8535 -31.0536 25.7226 -31.0537 -16.1602 GPRESSAVG: 3298000 32.0222 38.7007 27.3405 37.6497 23.8179 -30.4016 25.3089 -31.3165 -15.6439 TIMING: 3298000 CPU: 9858.5, 0.00305322/step Wall: 9858.5, 0.00305322/step, 1.44349 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: 3298000 763.8808 2099.0243 1922.2419 117.6379 -206219.2452 17778.2942 0.0000 0.0000 34210.1814 -149327.9846 298.7660 -183538.1660 -149232.5865 298.8900 -147.7496 -112.0466 558931.1278 13.2785 13.3987 PRESSURE: 3298200 169.682 -148.922 17.7678 -148.923 15.6039 66.2573 17.7684 66.2578 124.367 GPRESSURE: 3298200 190.913 -180.404 142.923 -31.4437 83.8347 50.144 -55.9334 145.826 130.859 PRESSAVG: 3298200 -19.3701 0.671348 17.9278 0.671401 72.9063 -33.215 17.9277 -33.215 -45.0611 GPRESSAVG: 3298200 -20.1877 -0.345059 18.9967 0.911691 72.7457 -30.2877 16.5328 -34.3238 -44.0781 TIMING: 3298200 CPU: 9859.11, 0.0030822/step Wall: 9859.11, 0.0030822/step, 1.45702 hours remaining, 208.160156 MB of memory in use. ENERGY: 3298200 717.0811 2059.4508 1944.4706 113.5833 -206703.0378 18167.1469 0.0000 0.0000 34438.4844 -149262.8207 300.7598 -183701.3051 -149168.3509 299.2132 103.2175 135.2022 556868.8992 2.8251 2.8266 PRESSURE: 3298400 -161.164 136.117 -164.074 136.116 -271.869 -34.0823 -164.075 -34.0816 -52.2235 GPRESSURE: 3298400 -54.0054 52.1521 -96.3911 110.543 -231.347 4.4786 -211.452 -18.8008 -96.6875 PRESSAVG: 3298400 -37.7764 16.7512 0.381918 16.7512 57.8093 -28.1199 0.381916 -28.12 -19.5754 GPRESSAVG: 3298400 -34.7922 16.7288 -0.0956305 15.5632 57.9186 -28.8189 1.10524 -27.1488 -22.3921 TIMING: 3298400 CPU: 9859.73, 0.00307173/step Wall: 9859.73, 0.00307173/step, 1.45191 hours remaining, 208.160156 MB of memory in use. ENERGY: 3298400 729.7005 2102.8808 1930.6292 133.0026 -205958.2508 17404.5025 0.0000 0.0000 34358.7156 -149298.8195 300.0632 -183657.5352 -149203.2885 299.0907 -161.7522 -127.3467 556007.2601 0.1525 0.2448 PRESSURE: 3298600 -92.3941 -111.467 -75.2225 -111.466 83.7195 -34.1921 -75.2218 -34.1939 -44.1559 GPRESSURE: 3298600 -85.6701 -61.9165 -124.13 -100.652 167.35 13.289 -19.6569 -15.7655 -45.656 PRESSAVG: 3298600 28.5866 14.1193 1.33917 14.1192 7.19233 19.0539 1.33918 19.0541 7.68383 GPRESSAVG: 3298600 25.7831 12.7406 0.511442 17.151 7.83887 17.9168 2.22618 17.5579 9.82235 TIMING: 3298600 CPU: 9860.34, 0.00303993/step Wall: 9860.34, 0.00303993/step, 1.43671 hours remaining, 208.160156 MB of memory in use. ENERGY: 3298600 774.3572 2076.5854 1914.7618 99.9366 -206361.2594 17883.7493 0.0000 0.0000 34386.0158 -149225.8533 300.3016 -183611.8691 -149130.4983 299.4642 -17.6102 12.0081 556581.4201 14.4876 14.4815 PRESSURE: 3298800 3.58434 -15.6421 -65.0697 -15.6418 -61.1553 6.00312 -65.0696 6.00442 28.4982 GPRESSURE: 3298800 5.24724 9.31146 -103.755 -37.6325 -13.568 65.8859 -77.0075 -73.8882 77.9051 PRESSAVG: 3298800 -74.0847 25.2657 -3.12675 25.2657 55.9096 -12.5155 -3.12679 -12.5155 -13.3223 GPRESSAVG: 3298800 -73.6196 24.3868 -0.590976 24.4856 55.7067 -12.7425 -5.4626 -12.6949 -14.2628 TIMING: 3298800 CPU: 9860.94, 0.00301722/step Wall: 9860.94, 0.00301722/step, 1.42581 hours remaining, 208.160156 MB of memory in use. ENERGY: 3298800 710.9588 2123.3280 1948.8305 112.1116 -205919.1937 17727.8495 0.0000 0.0000 34236.7910 -149059.3243 298.9984 -183296.1154 -148961.1913 299.5618 -9.6909 23.1948 558415.2791 -10.4991 -10.7252 PRESSURE: 3299000 -5.44578 10.5639 92.8516 10.562 116.238 104.327 92.8515 104.328 5.86061 GPRESSURE: 3299000 30.3584 -23.6477 127.44 60.2521 105.077 174.674 64.0598 18.5042 81.583 PRESSAVG: 3299000 -48.9286 13.5417 -43.0315 13.5417 7.5645 -6.02884 -43.0315 -6.02884 27.7295 GPRESSAVG: 3299000 -47.9428 13.5164 -44.6228 13.4893 6.50976 -5.89131 -43.9775 -5.91434 27.7663 TIMING: 3299000 CPU: 9861.54, 0.00301984/step Wall: 9861.54, 0.00301984/step, 1.42687 hours remaining, 208.160156 MB of memory in use. ENERGY: 3299000 765.3796 2095.4751 1949.8448 112.1459 -206257.1067 18002.6940 0.0000 0.0000 34370.5178 -148961.0495 300.1663 -183331.5674 -148870.9553 300.2085 38.8843 72.3395 558445.7518 -4.5449 -4.5556 PRESSURE: 3299200 -219.554 45.7382 75.2476 45.7385 98.1412 -183.164 75.2485 -183.162 7.92863 GPRESSURE: 3299200 -131.355 39.7726 115.403 127.673 133.572 -178.516 44.9469 -240.654 -30.5599 PRESSAVG: 3299200 0.840835 -10.2912 30.186 -10.2913 -4.1927 -37.4807 30.186 -37.4808 -33.1867 GPRESSAVG: 3299200 -0.381494 -10.0784 28.9426 -10.8027 -2.23663 -37.6296 31.5679 -35.9269 -34.1165 TIMING: 3299200 CPU: 9862.15, 0.00302319/step Wall: 9862.15, 0.00302319/step, 1.42829 hours remaining, 208.160156 MB of memory in use. ENERGY: 3299200 691.6645 2111.3525 1943.6261 104.7428 -205862.0697 17606.5610 0.0000 0.0000 34420.6059 -148983.5168 300.6037 -183404.1226 -148901.5283 300.1442 -37.8281 -9.4474 559178.4996 -12.1795 -12.2449 PRESSURE: 3299400 113.218 -8.21265 54.104 -8.21289 100.203 28.0908 54.1043 28.0916 85.4166 GPRESSURE: 3299400 146.839 -22.147 58.9567 1.09987 143.015 -2.55841 62.6995 3.53153 103.557 PRESSAVG: 3299400 1.15802 2.04946 10.9009 2.04944 69.3741 -86.3401 10.901 -86.3401 11.9986 GPRESSAVG: 3299400 1.51805 4.29321 11.8116 0.809222 68.2737 -86.7787 12.4916 -86.867 12.605 TIMING: 3299400 CPU: 9862.75, 0.00303103/step Wall: 9862.75, 0.00303103/step, 1.43183 hours remaining, 208.160156 MB of memory in use. ENERGY: 3299400 718.7454 2098.5255 1908.9002 101.3089 -206392.0014 18113.3347 0.0000 0.0000 34549.0311 -148902.1556 301.7253 -183451.1867 -148800.8829 300.5991 99.6126 131.1370 559032.4900 27.5102 27.4656 PRESSURE: 3299600 -35.3342 97.6698 14.6729 97.6689 3.4831 -130.122 14.6717 -130.123 -160.302 GPRESSURE: 3299600 -9.59212 38.6941 -48.7681 -7.7809 52.7594 -155.947 -19.7797 -73.5977 -138.061 PRESSAVG: 3299600 -3.31997 30.1312 27.1194 30.1311 -48.5943 -60.5856 27.1193 -60.5856 45.8234 GPRESSAVG: 3299600 -2.47487 29.5079 28.2207 29.8859 -48.1649 -58.5118 25.5231 -60.2628 45.2258 TIMING: 3299600 CPU: 9863.36, 0.00304136/step Wall: 9863.36, 0.00304136/step, 1.43653 hours remaining, 208.160156 MB of memory in use. ENERGY: 3299600 725.8046 2100.0023 1969.6263 107.5035 -206100.5889 17673.9905 0.0000 0.0000 34561.1395 -148962.5223 301.8310 -183523.6618 -148858.3848 300.3090 -64.0511 -31.6313 558094.8390 -2.0303 -1.8047 PRESSURE: 3299800 -45.3019 94.6195 44.525 94.6193 -176.837 -72.0192 44.5266 -72.0208 -133.369 GPRESSURE: 3299800 -58.4288 44.9758 73.0771 20.381 -178.734 -209.466 47.4876 -30.2606 -29.3277 PRESSAVG: 3299800 -3.93044 33.5028 10.7982 33.5028 -9.93681 -45.9024 10.7983 -45.9024 -17.86 GPRESSAVG: 3299800 -5.12165 34.333 9.1318 35.0899 -10.3722 -48.4112 12.0421 -44.8397 -16.6137 TIMING: 3299800 CPU: 9863.97, 0.00301202/step Wall: 9863.97, 0.00301202/step, 1.42251 hours remaining, 208.160156 MB of memory in use. ENERGY: 3299800 719.4582 2080.0207 1960.4465 100.8629 -205861.7567 17644.7547 0.0000 0.0000 34291.3044 -149064.9093 299.4745 -183356.2137 -148961.9629 299.8543 -118.5027 -88.8303 558915.7720 -10.5758 -10.7025 PRESSURE: 3300000 -159.139 61.5075 49.432 61.5068 -155.376 109.319 49.4321 109.319 216.032 GPRESSURE: 3300000 -122.902 120.758 39.1556 52.4743 -98.9821 64.2718 85.566 144.696 214.16 PRESSAVG: 3300000 -13.9811 34.6205 -25.6712 34.6204 -40.1922 -15.6387 -25.6712 -15.6388 43.0614 GPRESSAVG: 3300000 -13.3662 34.098 -26.1842 33.5277 -40.3115 -15.0729 -25.5878 -16.5922 42.6657 TIMING: 3300000 CPU: 9864.57, 0.00303114/step Wall: 9864.57, 0.00303114/step, 1.43137 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: 3300000 748.7560 2094.3976 1959.7531 110.7711 -206115.7622 17778.0872 0.0000 0.0000 34325.4648 -149098.5326 299.7728 -183423.9974 -149006.8683 299.2379 -32.8276 -2.5746 559322.2886 -3.7040 -3.6707 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3300000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3300000 WRITING COORDINATES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3300200 -208.036 -11.796 114.947 -11.7969 -77.3622 -144.222 114.946 -144.222 25.3339 GPRESSURE: 3300200 -128.754 -0.259259 59.2313 2.3762 -77.8321 -94.1866 49.9808 -156.63 36.8245 PRESSAVG: 3300200 -15.2872 17.9475 20.5692 17.9475 25.7817 11.5427 20.5693 11.5427 5.62601 GPRESSAVG: 3300200 -15.3699 17.9275 23.7805 18.8901 25.6003 11.625 18.986 12.6052 5.81485 TIMING: 3300200 CPU: 9865.2, 0.00312272/step Wall: 9865.2, 0.00312272/step, 1.47445 hours remaining, 208.160156 MB of memory in use. ENERGY: 3300200 741.1281 2068.9778 1965.0655 112.4141 -206183.0813 17705.9380 0.0000 0.0000 34299.0360 -149290.5217 299.5420 -183589.5577 -149190.5871 299.1283 -86.6881 -56.5871 558521.8656 5.3735 5.3484 LDB: ============= START OF LOAD BALANCING ============== 9868.63 LDB: ============== END OF LOAD BALANCING =============== 9868.63 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9868.63 LDB: ============= START OF LOAD BALANCING ============== 9868.94 LDB: Largest compute 4819 load 0.028730 is 24.3% of average load 0.118049 LDB: Average compute 0.001741 is 1.5% of average load 0.118049 LDB: TIME 9868.94 LOAD: AVG 0.118049 MAX 0.211456 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.902 MB LDB: TIME 9868.94 LOAD: AVG 0.118049 MAX 0.211456 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.902 MB LDB: TIME 9868.94 LOAD: AVG 0.118049 MAX 0.211456 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.902 MB LDB: ============== END OF LOAD BALANCING =============== 9868.94 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9868.94 PRESSURE: 3300400 119.315 64.5907 49.0367 64.5896 -270.034 68.4208 49.0365 68.4194 -5.41462 GPRESSURE: 3300400 132.797 122.07 54.2152 9.77821 -225.164 117.738 55.4627 25.0509 29.4376 PRESSAVG: 3300400 13.4607 50.0064 73.9161 50.0064 7.19101 -44.4419 73.9161 -44.442 -57.2479 GPRESSAVG: 3300400 13.8953 47.5744 72.9394 51.4178 8.44283 -43.2129 73.3109 -46.9244 -58.8819 TIMING: 3300400 CPU: 9865.82, 0.00309516/step Wall: 9865.82, 0.00309516/step, 1.46126 hours remaining, 206.199219 MB of memory in use. ENERGY: 3300400 723.8367 2028.3884 1949.9946 120.8018 -206092.0547 17745.8232 0.0000 0.0000 34135.1714 -149388.0386 298.1109 -183523.2100 -149290.9249 298.8918 -52.0446 -20.9766 557412.2644 -12.1987 -12.1812 PRESSURE: 3300600 218.315 39.9538 181.883 39.9538 -121.205 -27.4111 181.883 -27.4109 28.8043 GPRESSURE: 3300600 200.051 25.4888 120.746 8.49799 -43.4064 -62.458 152.02 60.7866 54.6981 PRESSAVG: 3300600 26.4143 14.3457 55.6715 14.3457 -43.461 -58.652 55.6715 -58.652 -18.5834 GPRESSAVG: 3300600 25.696 14.5066 56.5962 13.2974 -44.9229 -59.239 55.9349 -56.5879 -16.6454 TIMING: 3300600 CPU: 9866.42, 0.0030439/step Wall: 9866.42, 0.0030439/step, 1.43689 hours remaining, 206.269531 MB of memory in use. ENERGY: 3300600 710.4729 2016.5071 1955.6505 109.6095 -206505.9605 17934.8683 0.0000 0.0000 34102.2582 -149676.5940 297.8235 -183778.8522 -149572.0639 298.0044 41.9717 70.4475 557120.7245 -11.8767 -11.9574 PRESSURE: 3300800 -81.7942 147.519 2.47879 147.518 -12.0742 -17.2822 2.48002 -17.2814 -184.538 GPRESSURE: 3300800 -40.5219 189.098 -30.9953 69.2146 11.9762 -32.3624 1.71767 -8.20703 -163.521 PRESSAVG: 3300800 18.0609 47.4854 -11.4039 47.4854 -46.0068 -68.1596 -11.4039 -68.1596 26.7385 GPRESSAVG: 3300800 18.5994 50.18 -12.6522 47.5686 -45.6468 -69.0322 -10.1182 -67.6614 26.1523 TIMING: 3300800 CPU: 9867.03, 0.00301823/step Wall: 9867.03, 0.00301823/step, 1.4246 hours remaining, 206.269531 MB of memory in use. ENERGY: 3300800 736.3384 2075.0425 1937.7209 114.0435 -206663.0474 17977.3015 0.0000 0.0000 34193.4842 -149629.1164 298.6202 -183822.6006 -149534.6443 298.1533 -92.8022 -64.0223 557114.9062 -0.4025 -0.2984 PRESSURE: 3301000 167.26 73.0707 -40.2959 73.0704 360.862 -12.0708 -40.2963 -12.0716 7.28762 GPRESSURE: 3301000 231.395 12.1217 -123.988 177.379 421.261 4.70696 -6.90725 10.3361 -25.3499 PRESSAVG: 3301000 26.149 59.9541 -6.1001 59.9542 8.32549 39.4174 -6.10005 39.4174 -37.1075 GPRESSAVG: 3301000 26.6938 59.3558 -7.87156 59.7458 8.69731 38.1432 -7.30465 39.5373 -38.3227 TIMING: 3301000 CPU: 9867.63, 0.00302103/step Wall: 9867.63, 0.00302103/step, 1.42576 hours remaining, 206.269531 MB of memory in use. ENERGY: 3301000 721.7023 2116.5438 1937.5849 109.8073 -206237.8453 17839.9809 0.0000 0.0000 33962.1065 -149550.1196 296.5995 -183512.2260 -149461.7065 298.1744 178.4699 209.1021 556366.0483 -0.8777 -0.9772 PRESSURE: 3301200 -0.0643774 -24.4203 -14.8852 -24.4191 29.3543 123.649 -14.8851 123.649 117.872 GPRESSURE: 3301200 11.2034 -86.3308 59.3427 46.927 138.921 94.2731 -80.295 147.196 97.5305 PRESSAVG: 3301200 -14.1126 21.594 -35.1916 21.594 25.7263 7.07632 -35.1916 7.07632 -1.52752 GPRESSAVG: 3301200 -15.2389 20.8336 -33.7391 23.1589 25.3237 8.07622 -35.5962 5.7288 -0.549312 TIMING: 3301200 CPU: 9868.24, 0.00302446/step Wall: 9868.24, 0.00302446/step, 1.42721 hours remaining, 206.269531 MB of memory in use. ENERGY: 3301200 725.9435 2106.4208 1966.4285 100.6493 -206507.7050 18040.6100 0.0000 0.0000 34019.9321 -149547.7208 297.1045 -183567.6529 -149450.7468 298.1598 49.0541 82.5517 557760.0420 3.3621 3.1785 PRESSURE: 3301400 -218.804 12.2205 -92.4389 12.2207 156.631 -67.0545 -92.4393 -67.0537 -227.522 GPRESSURE: 3301400 -135.463 12.7261 -141.189 4.24857 153.275 -148.206 -105.834 -24.0761 -209.575 PRESSAVG: 3301400 25.4142 1.21936 -26.2124 1.21942 -1.47444 -4.73881 -26.2124 -4.7388 -39.1057 GPRESSAVG: 3301400 25.5864 2.10539 -27.7264 -1.23929 -2.09656 -1.93339 -24.5059 -6.36293 -38.6181 TIMING: 3301400 CPU: 9868.84, 0.00302421/step Wall: 9868.84, 0.00302421/step, 1.42692 hours remaining, 206.269531 MB of memory in use. ENERGY: 3301400 750.1164 2087.5602 1970.4238 104.0326 -206274.6759 17668.6137 0.0000 0.0000 34285.6704 -149408.2587 299.4253 -183693.9291 -149308.1933 299.0298 -96.5649 -63.9208 558014.5990 -5.0553 -5.0428 PRESSURE: 3301600 74.545 87.8164 158.82 87.815 -387.794 -77.6866 158.821 -77.686 90.1041 GPRESSURE: 3301600 66.1451 17.6507 157.994 113.553 -335.798 -130.42 135.786 -53.2024 129.485 PRESSAVG: 3301600 -23.0031 10.7825 40.8108 10.7824 -30.8993 -11.5566 40.8108 -11.5566 -1.1615 GPRESSAVG: 3301600 -22.9066 12.3844 42.7517 9.19442 -30.6746 -14.2451 39.9317 -8.07566 -1.20771 TIMING: 3301600 CPU: 9869.44, 0.00300038/step Wall: 9869.44, 0.00300038/step, 1.41551 hours remaining, 206.269531 MB of memory in use. ENERGY: 3301600 717.7222 2112.7898 1927.8617 139.4018 -205842.7591 17505.3705 0.0000 0.0000 34102.5821 -149337.0311 297.8263 -183439.6132 -149242.0136 298.9880 -74.3815 -46.7227 558800.8200 -18.3546 -18.2630 PRESSURE: 3301800 -231.285 -67.2438 -12.9623 -67.243 76.1197 -214.899 -12.9625 -214.9 176.653 GPRESSURE: 3301800 -158.977 -81.418 -107.929 -19.2372 99.0194 -268.192 -117.795 -154.269 173.512 PRESSAVG: 3301800 -39.6414 98.9388 -35.3663 98.9388 24.287 -1.39873 -35.3663 -1.39874 64.9362 GPRESSAVG: 3301800 -39.2579 97.0936 -36.2174 99.8842 24.3561 -0.190149 -35.5136 -2.70451 64.2019 TIMING: 3301800 CPU: 9870.05, 0.0030167/step Wall: 9870.05, 0.0030167/step, 1.42304 hours remaining, 206.269531 MB of memory in use. ENERGY: 3301800 728.1008 2109.0548 1977.8592 116.9006 -206485.7892 17851.6731 0.0000 0.0000 34425.5430 -149276.6577 300.6468 -183702.2007 -149175.2005 299.1470 7.1625 37.8514 558277.6268 16.5273 16.4334 PRESSURE: 3302000 -192.164 -48.1512 201.945 -48.1498 171.206 61.5774 201.945 61.5793 21.656 GPRESSURE: 3302000 -126.84 16.6881 225.147 -105.216 156.161 62.3094 182.375 21.3178 66.925 PRESSAVG: 3302000 27.6903 30.9603 56.1479 30.9604 40.3592 -39.3974 56.1479 -39.3973 -48.9871 GPRESSAVG: 3302000 26.3854 30.579 55.3749 31.9701 40.5562 -38.7778 59.4026 -39.6938 -48.1063 TIMING: 3302000 CPU: 9870.65, 0.00302327/step Wall: 9870.65, 0.00302327/step, 1.42598 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: 3302000 773.9976 2075.8100 1970.0914 118.0213 -206300.2293 17841.3070 0.0000 0.0000 34254.2279 -149266.7741 299.1507 -183521.0020 -149173.5227 299.4507 0.2325 32.0820 557901.3833 6.3541 6.2784 PRESSURE: 3302200 240.2 66.7362 75.403 66.7372 164.302 194.549 75.4044 194.55 7.09944 GPRESSURE: 3302200 222.125 -46.2176 152.344 65.7515 164.122 170.526 101.023 197.354 110.552 PRESSAVG: 3302200 -31.8405 40.9046 -2.38618 40.9046 -3.70956 -20.3758 -2.38626 -20.3758 36.3729 GPRESSAVG: 3302200 -31.2562 41.6186 -1.4729 41.1976 -3.81998 -21.6123 -4.47517 -22.2987 36.0253 TIMING: 3302200 CPU: 9871.26, 0.00303225/step Wall: 9871.26, 0.00303225/step, 1.43004 hours remaining, 206.269531 MB of memory in use. ENERGY: 3302200 739.7282 2061.1494 1958.5627 106.2297 -206357.6647 18017.3678 0.0000 0.0000 34301.8615 -149172.7654 299.5667 -183474.6269 -149069.3170 300.1862 137.2004 165.5999 557016.2551 0.2743 0.3164 PRESSURE: 3302400 -118.771 124.404 42.7743 124.403 -138.564 113.102 42.7736 113.102 -139.36 GPRESSURE: 3302400 -83.312 82.2877 10.0316 140.274 -48.2577 48.2002 62.8866 156.211 -179.3 PRESSAVG: 3302400 -16.5247 45.4187 -13.2569 45.4188 59.4422 12.4559 -13.2569 12.4559 19.2335 GPRESSAVG: 3302400 -16.4704 44.3282 -12.6795 47.7131 60.0569 11.0917 -13.7513 14.8023 18.7058 TIMING: 3302400 CPU: 9871.86, 0.00303692/step Wall: 9871.86, 0.00303692/step, 1.43208 hours remaining, 206.269531 MB of memory in use. ENERGY: 3302400 762.5405 2069.8736 1921.9166 124.7986 -205868.8720 17524.4521 0.0000 0.0000 34299.1511 -149166.1394 299.5430 -183465.2905 -149071.4616 299.7719 -132.2318 -103.6234 558950.6132 20.7170 20.7641 PRESSURE: 3302600 -64.8044 -44.0298 -4.35586 -44.0308 357.047 25.6203 -4.35673 25.6196 -55.2689 GPRESSURE: 3302600 4.44099 -57.1902 35.673 -2.11239 400.527 118.022 4.1259 -39.1556 -57.1332 PRESSAVG: 3302600 5.47661 25.872 8.27554 25.872 43.1296 18.4906 8.27543 18.4906 -48.2833 GPRESSAVG: 3302600 6.97468 26.1911 10.3356 23.6711 43.2078 20.7359 9.71297 17.9858 -49.0063 TIMING: 3302600 CPU: 9872.47, 0.00303265/step Wall: 9872.47, 0.00303265/step, 1.42989 hours remaining, 206.269531 MB of memory in use. ENERGY: 3302600 758.3771 2070.9070 1927.5977 105.3187 -206217.2874 17989.5351 0.0000 0.0000 33990.4595 -149375.0923 296.8471 -183365.5518 -149282.0954 298.2430 78.9911 115.9449 557078.3501 0.1076 0.3921 PRESSURE: 3302800 192.345 155.728 -19.1763 155.729 41.306 75.3413 -19.1759 75.3393 -39.8617 GPRESSURE: 3302800 163.499 162.923 3.44002 168.7 122.387 172.967 -66.1218 -38.5675 -1.64768 PRESSAVG: 3302800 47.3682 -19.4217 -17.884 -19.4218 0.703133 33.3788 -17.884 33.3788 -31.8607 GPRESSAVG: 3302800 46.3409 -17.2153 -17.9636 -20.4339 1.15958 32.3067 -18.655 34.0919 -31.6782 TIMING: 3302800 CPU: 9873.07, 0.00300095/step Wall: 9873.07, 0.00300095/step, 1.41478 hours remaining, 206.269531 MB of memory in use. ENERGY: 3302800 733.5302 2123.0539 1941.6380 107.6256 -206372.4596 17924.5617 0.0000 0.0000 34274.3111 -149267.7391 299.3261 -183542.0502 -149168.4440 298.9065 64.5966 94.7462 557853.5672 5.4035 5.2741 PRESSURE: 3303000 253.238 -80.1421 -6.69447 -80.1396 11.5142 108.508 -6.69457 108.505 -35.2981 GPRESSURE: 3303000 291.741 -37.6612 18.0409 -28.2703 63.5765 145.272 -23.6126 65.8401 -14.4049 PRESSAVG: 3303000 -76.2474 19.2593 7.51337 19.2593 19.3749 27.2025 7.51339 27.2024 21.091 GPRESSAVG: 3303000 -76.6925 16.723 5.68514 21.6601 20.172 26.5315 7.83515 28.7905 21.0441 TIMING: 3303000 CPU: 9873.67, 0.00301996/step Wall: 9873.67, 0.00301996/step, 1.42358 hours remaining, 206.269531 MB of memory in use. ENERGY: 3303000 714.2553 2078.4035 1951.2540 116.6991 -206471.4691 17988.9769 0.0000 0.0000 34252.7701 -149369.1102 299.1380 -183621.8803 -149272.6057 298.9900 76.4848 113.6375 558214.2343 -11.9272 -11.8255 PRESSURE: 3303200 46.2791 -113.933 -36.8922 -113.932 53.5219 -106.307 -36.8914 -106.306 -113.649 GPRESSURE: 3303200 78.1752 -134.724 -97.3554 -86.1657 103.518 -73.5101 19.8508 -143.447 -107.156 PRESSAVG: 3303200 100.225 -26.4904 -45.547 -26.4905 -54.4731 9.70772 -45.5471 9.70767 -51.6673 GPRESSAVG: 3303200 101.508 -24.308 -46.0479 -28.341 -56.6577 11.7609 -45.0586 7.75047 -51.6353 TIMING: 3303200 CPU: 9874.27, 0.00298619/step Wall: 9874.27, 0.00298619/step, 1.40749 hours remaining, 206.269531 MB of memory in use. ENERGY: 3303200 707.8983 2118.0779 1955.0229 121.2896 -206407.8680 17989.1446 0.0000 0.0000 34272.5860 -149243.8485 299.3110 -183516.4345 -149146.3515 299.0985 -4.6161 24.8456 558791.1067 -1.9718 -2.2618 PRESSURE: 3303400 -41.265 38.2383 63.564 38.2385 1.79038 -172.322 63.5645 -172.321 -0.60013 GPRESSURE: 3303400 -36.2945 -3.33862 27.0168 -18.4236 73.4058 -207.393 128.512 -104.583 10.783 PRESSAVG: 3303400 -11.3824 15.1388 6.73687 15.1388 7.90204 -3.28504 6.73679 -3.28507 17.3531 GPRESSAVG: 3303400 -11.8187 15.6439 6.91931 14.5407 8.02084 -5.32986 8.07233 -2.81765 16.7939 TIMING: 3303400 CPU: 9874.87, 0.00298137/step Wall: 9874.87, 0.00298137/step, 1.40505 hours remaining, 206.269531 MB of memory in use. ENERGY: 3303400 711.5724 2057.7481 1940.4716 114.7740 -205983.4578 17767.9001 0.0000 0.0000 34054.4973 -149336.4943 297.4064 -183390.9916 -149237.4422 298.7252 -13.3582 15.9647 558268.8840 4.6242 4.3320 PRESSURE: 3303600 -14.136 19.8059 24.6273 19.8056 137.693 -148.858 24.6258 -148.857 184.246 GPRESSURE: 3303600 2.292 82.0409 99.5718 -11.8791 145.653 -123.284 -126.449 -167.113 275.426 PRESSAVG: 3303600 11.5718 6.96829 49.8671 6.96826 -4.98962 -103.053 49.867 -103.053 9.60156 GPRESSAVG: 3303600 11.6901 7.42668 50.9148 7.40906 -4.04144 -102.696 46.2777 -102.433 8.96273 TIMING: 3303600 CPU: 9875.46, 0.00297612/step Wall: 9875.46, 0.00297612/step, 1.40241 hours remaining, 206.269531 MB of memory in use. ENERGY: 3303600 727.9959 2149.7741 1949.0743 109.5820 -206597.9636 18063.6953 0.0000 0.0000 34258.3022 -149339.5398 299.1863 -183597.8420 -149239.3384 298.7070 102.6010 141.1235 556366.1427 5.3946 5.5371 PRESSURE: 3303800 -303.99 -15.3591 -132.17 -15.359 -186.803 128.797 -132.171 128.796 -173.37 GPRESSURE: 3303800 -205.175 -41.6917 -169.533 -34.8218 -224.751 130.46 -62.8161 114.432 -124.202 PRESSAVG: 3303800 -18.2063 37.2343 9.87324 37.2342 19.06 -58.9892 9.87324 -58.9891 16.4568 GPRESSAVG: 3303800 -19.3762 36.0345 7.77628 37.0969 18.5924 -59.9748 10.7924 -60.2263 18.4524 TIMING: 3303800 CPU: 9876.06, 0.00298604/step Wall: 9876.06, 0.00298604/step, 1.40692 hours remaining, 206.269531 MB of memory in use. ENERGY: 3303800 750.7042 2104.2560 1948.6230 121.9110 -206047.9221 17640.5992 0.0000 0.0000 34040.9959 -149440.8329 297.2885 -183481.8288 -149347.9914 298.2277 -221.3880 -184.7096 557281.0246 5.7702 5.8895 PRESSURE: 3304000 -142.092 31.7873 -174.475 31.7883 -17.9872 -64.8503 -174.475 -64.8499 -135.94 GPRESSURE: 3304000 -95.3402 156.727 -267.333 -50.7163 -3.44721 -82.3051 -105.773 -15.2074 -105.848 PRESSAVG: 3304000 7.27997 7.33668 -19.7446 7.33651 -5.07534 34.7471 -19.7447 34.7471 -13.1892 GPRESSAVG: 3304000 7.65748 9.48555 -19.8773 6.97422 -4.58489 36.1316 -19.5795 34.1319 -13.9691 TIMING: 3304000 CPU: 9876.66, 0.0029916/step Wall: 9876.66, 0.0029916/step, 1.40938 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: 3304000 740.0467 2099.6480 1997.1297 116.9595 -206438.3234 17861.8442 0.0000 0.0000 34164.2404 -149458.4549 298.3648 -183622.6954 -149365.6785 298.2587 -98.6729 -68.2119 557191.1391 -3.6615 -3.6322 PRESSURE: 3304200 133.755 130.498 -131.543 130.498 92.8564 -7.40852 -131.542 -7.40672 -82.4664 GPRESSURE: 3304200 134.03 219.055 -196.439 77.9706 126.738 -1.81562 -105.716 9.56037 -23.5198 PRESSAVG: 3304200 -18.4646 51.921 -66.5837 51.9211 -12.8585 19.4925 -66.5837 19.4925 33.9478 GPRESSAVG: 3304200 -17.8133 50.0093 -65.2965 53.3247 -13.1683 19.2443 -67.5304 19.2037 33.3903 TIMING: 3304200 CPU: 9877.26, 0.00300482/step Wall: 9877.26, 0.00300482/step, 1.41544 hours remaining, 206.269531 MB of memory in use. ENERGY: 3304200 748.9714 2100.3827 1946.1924 106.7123 -206424.5877 17899.0898 0.0000 0.0000 34288.3280 -149334.9111 299.4485 -183623.2392 -149231.9567 299.1787 48.0485 79.0828 556369.1717 0.8749 0.8029 LDB: ============= START OF LOAD BALANCING ============== 9880.69 LDB: ============== END OF LOAD BALANCING =============== 9880.69 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9880.69 LDB: ============= START OF LOAD BALANCING ============== 9880.99 LDB: Largest compute 4819 load 0.030476 is 25.8% of average load 0.118012 LDB: Average compute 0.001734 is 1.5% of average load 0.118012 LDB: TIME 9880.99 LOAD: AVG 0.118012 MAX 0.21073 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.715 MB LDB: TIME 9880.99 LOAD: AVG 0.118012 MAX 0.21073 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.715 MB LDB: TIME 9880.99 LOAD: AVG 0.118012 MAX 0.21073 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9881 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9881 PRESSURE: 3304400 -181.492 -0.754854 -20.7431 -0.754733 -20.9395 78.8624 -20.7425 78.8642 -230.059 GPRESSURE: 3304400 -161.991 -31.7844 52.099 -102.977 14.635 95.3307 -68.4096 150.449 -180.802 PRESSAVG: 3304400 41.5801 8.10323 -3.69313 8.10325 15.8566 3.36243 -3.69313 3.36235 -63.3287 GPRESSAVG: 3304400 42.4546 10.1799 -2.6866 7.26411 14.9576 2.70062 -2.72894 4.54785 -63.8493 TIMING: 3304400 CPU: 9877.87, 0.00305732/step Wall: 9877.87, 0.00305732/step, 1.44 hours remaining, 205.226562 MB of memory in use. ENERGY: 3304400 745.2272 2066.6550 1905.6224 127.2759 -205785.3531 17550.8054 0.0000 0.0000 33958.4793 -149431.2880 296.5678 -183389.7673 -149335.6749 299.0546 -144.1634 -109.3859 558931.0407 -1.9640 -2.1457 PRESSURE: 3304600 170.309 -5.13259 37.6411 -5.13359 145.091 11.8913 37.641 11.893 9.41778 GPRESSURE: 3304600 154.537 -13.8507 -86.0389 72.7724 227.332 -2.94199 90.4205 -13.3586 40.9235 PRESSAVG: 3304600 40.1333 -65.2703 2.35904 -65.2702 -3.40635 49.9723 2.35915 49.9723 3.94951 GPRESSAVG: 3304600 38.8009 -65.3122 2.42568 -66.6846 -2.52044 50.3117 1.34732 50.9904 3.89078 TIMING: 3304600 CPU: 9878.47, 0.00299356/step Wall: 9878.47, 0.00299356/step, 1.4098 hours remaining, 205.226562 MB of memory in use. ENERGY: 3304600 746.2946 2047.9877 1937.6138 103.5644 -206497.8112 18129.4367 0.0000 0.0000 34215.2683 -149317.6457 298.8104 -183532.9141 -149216.8371 298.6396 108.2729 140.9311 558221.5240 13.5588 13.3904 PRESSURE: 3304800 77.9563 60.0641 23.42 60.0642 -289.689 128.207 23.42 128.207 134.1 GPRESSURE: 3304800 133.156 54.878 94.772 90.4557 -234.161 119.348 52.7472 38.3597 128.625 PRESSAVG: 3304800 -14.6853 11.7169 37.2104 11.717 -18.1152 -20.4518 37.2103 -20.4518 -14.3559 GPRESSAVG: 3304800 -15.0326 10.6795 36.6449 14.344 -18.4476 -19.4313 37.5547 -22.647 -14.4937 TIMING: 3304800 CPU: 9879.07, 0.0030213/step Wall: 9879.07, 0.0030213/step, 1.4227 hours remaining, 205.226562 MB of memory in use. ENERGY: 3304800 753.4089 2088.9221 1943.6631 105.9102 -206337.9301 17989.8767 0.0000 0.0000 33933.2047 -149522.9444 296.3471 -183456.1491 -149436.1699 298.6292 -25.8775 9.2067 557205.8803 -15.7188 -15.9913 PRESSURE: 3305000 62.9462 35.3383 52.3774 35.3388 -222.022 10.5976 52.3773 10.5963 100.911 GPRESSURE: 3305000 74.7477 47.4479 -3.01943 31.2297 -195.786 -106.709 -17.0211 78.1595 157.931 PRESSAVG: 3305000 35.1117 -30.4905 -34.6249 -30.4904 -47.5841 -27.6558 -34.625 -27.6557 21.3096 GPRESSAVG: 3305000 34.6752 -29.9876 -33.4414 -32.5965 -47.2179 -28.5677 -36.3447 -27.0757 21.3627 TIMING: 3305000 CPU: 9879.67, 0.0030053/step Wall: 9879.67, 0.0030053/step, 1.41499 hours remaining, 205.226562 MB of memory in use. ENERGY: 3305000 781.9737 2107.1640 1951.8521 105.1793 -206467.3035 17885.3821 0.0000 0.0000 34029.4375 -149606.3148 297.1875 -183635.7523 -149512.6303 298.5585 -19.3882 12.2976 557479.0964 2.9457 2.9400 PRESSURE: 3305200 -142.279 -124.947 -55.9479 -124.948 -157.61 97.6006 -55.9478 97.5989 84.1898 GPRESSURE: 3305200 -92.5075 -64.5709 -48.8899 -43.2446 -91.8442 184.287 -73.0282 135.843 64.0535 PRESSAVG: 3305200 -14.4007 -45.1291 -26.8932 -45.1291 -40.1629 -30.567 -26.8932 -30.567 77.2803 GPRESSAVG: 3305200 -13.5597 -45.7547 -25.6035 -42.6778 -40.6447 -31.859 -25.3906 -28.6862 76.9271 TIMING: 3305200 CPU: 9880.28, 0.00301663/step Wall: 9880.28, 0.00301663/step, 1.42016 hours remaining, 205.226562 MB of memory in use. ENERGY: 3305200 773.9491 2105.6462 1943.9484 115.3375 -206123.6647 17750.3199 0.0000 0.0000 33952.4109 -149482.0527 296.5148 -183434.4636 -149393.2692 298.4960 -71.8996 -40.0994 556428.6702 7.5722 7.5742 PRESSURE: 3305400 -60.851 -151.395 65.3829 -151.396 119.468 -102.242 65.3838 -102.243 317.965 GPRESSURE: 3305400 -26.4387 -130.785 88.0514 -209.133 137.698 -61.1639 94.8999 -40.4774 361.582 PRESSAVG: 3305400 -65.5308 -14.8853 58.7517 -14.8853 15.9207 8.81179 58.7516 8.81176 36.8356 GPRESSAVG: 3305400 -65.0848 -14.2124 55.8829 -15.8104 15.3103 10.8602 58.0928 6.50569 37.2696 TIMING: 3305400 CPU: 9880.88, 0.00299522/step Wall: 9880.88, 0.00299522/step, 1.40992 hours remaining, 205.226562 MB of memory in use. ENERGY: 3305400 771.7293 2063.9893 1952.9557 122.9022 -206721.4397 18139.8732 0.0000 0.0000 34166.0913 -149503.8988 298.3810 -183669.9901 -149407.5625 297.9439 125.5273 157.6138 555473.8452 -4.2581 -4.1683 PRESSURE: 3305600 -318.882 1.7428 -22.3557 1.7436 -474.532 -70.9268 -22.3561 -70.9279 119.767 GPRESSURE: 3305600 -332.415 -50.598 -123.032 50.6444 -406.312 -28.1037 -32.9891 -78.8714 161.295 PRESSAVG: 3305600 -42.0197 58.1583 -40.6653 58.1583 25.0054 -42.5555 -40.6653 -42.5555 49.8903 GPRESSAVG: 3305600 -41.1476 59.2749 -40.306 58.9324 26.1629 -42.9341 -40.5856 -42.1702 47.782 TIMING: 3305600 CPU: 9881.48, 0.00301068/step Wall: 9881.48, 0.00301068/step, 1.41703 hours remaining, 205.226562 MB of memory in use. ENERGY: 3305600 757.6056 2097.9898 1935.5666 112.9549 -206329.0825 17688.1564 0.0000 0.0000 34174.4514 -149562.3578 298.4540 -183736.8092 -149458.9504 298.7252 -224.5488 -192.4773 557387.4688 10.9587 10.9324 PRESSURE: 3305800 189.32 -5.09658 -97.9465 -5.09821 24.2315 108.222 -97.9465 108.221 -18.8283 GPRESSURE: 3305800 237.408 -40.9555 -61.8568 -5.41965 44.2892 51.845 -129.765 115.087 0.101775 PRESSAVG: 3305800 -16.2704 49.4844 -36.8025 49.4843 -38.6656 -11.2089 -36.8025 -11.2089 16.2218 GPRESSAVG: 3305800 -17.345 47.4227 -35.0945 50.1663 -40.2196 -12.1661 -36.5483 -9.42933 19.0895 TIMING: 3305800 CPU: 9882.09, 0.00303471/step Wall: 9882.09, 0.00303471/step, 1.42817 hours remaining, 205.226562 MB of memory in use. ENERGY: 3305800 754.7945 2088.8868 1915.0602 118.2688 -206773.7288 17910.2071 0.0000 0.0000 34352.6769 -149633.8345 300.0105 -183986.5115 -149540.7707 298.7492 64.9079 93.9331 556438.2902 -12.9048 -12.8250 PRESSURE: 3306000 32.614 34.2698 -62.3881 34.2703 -225.772 -130.437 -62.3874 -130.438 123.16 GPRESSURE: 3306000 48.7419 96.9895 -53.6354 -23.7882 -222.187 -184.328 -137.757 -113.165 194.835 PRESSAVG: 3306000 -20.2292 -7.55583 -0.548789 -7.5558 12.4027 -16.767 -0.548758 -16.767 -11.3947 GPRESSAVG: 3306000 -20.7942 -6.90171 -1.20297 -9.44439 13.8733 -16.4521 -1.2142 -15.5757 -12.8762 TIMING: 3306000 CPU: 9882.7, 0.00304609/step Wall: 9882.7, 0.00304609/step, 1.43336 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: 3306000 762.7907 2052.9237 1919.9328 107.7193 -206444.4216 17708.4926 0.0000 0.0000 34243.0546 -149649.5078 299.0531 -183892.5624 -149554.0609 298.7080 -23.3326 7.1298 556397.0282 -6.4071 -6.5990 PRESSURE: 3306200 -130.012 145.736 -10.9913 145.736 -144.183 -21.2115 -10.9913 -21.2104 -216.938 GPRESSURE: 3306200 -95.6063 205.48 -13.905 166.077 -112.467 46.3068 27.6527 -75.4523 -185.454 PRESSAVG: 3306200 75.0819 24.7267 -15.4395 24.7267 -25.5826 -51.2537 -15.4394 -51.2537 -20.8887 GPRESSAVG: 3306200 75.9183 24.984 -15.1808 23.9203 -26.8811 -51.7561 -14.6487 -52.7321 -20.3809 TIMING: 3306200 CPU: 9883.3, 0.00302482/step Wall: 9883.3, 0.00302482/step, 1.42318 hours remaining, 205.226562 MB of memory in use. ENERGY: 3306200 768.5849 2060.7276 1922.8061 119.1307 -206326.8906 17598.7378 0.0000 0.0000 34149.0261 -149707.8775 298.2319 -183856.9036 -149613.5137 297.7318 -163.7111 -131.1758 557123.1302 9.5369 9.5521 PRESSURE: 3306400 271.371 -66.3226 77.8904 -66.3215 367.303 193.202 77.8907 193.204 30.4108 GPRESSURE: 3306400 288.913 -110.058 101.927 -32.9343 410.536 206.611 68.7199 136.552 67.2542 PRESSAVG: 3306400 21.762 24.4339 8.38112 24.4339 14.1802 30.0386 8.38115 30.0387 9.90901 GPRESSAVG: 3306400 22.5986 25.3943 7.52425 25.6553 14.0209 30.6605 8.57261 30.6034 9.06663 TIMING: 3306400 CPU: 9883.91, 0.00303196/step Wall: 9883.91, 0.00303196/step, 1.42637 hours remaining, 205.226562 MB of memory in use. ENERGY: 3306400 740.5013 2126.4833 1911.0157 111.6028 -206648.9194 18084.7965 0.0000 0.0000 34040.7649 -149633.7549 297.2865 -183674.5198 -149537.7653 298.1256 223.0281 255.5678 556513.2181 15.2837 15.2287 PRESSURE: 3306600 -159.717 -12.5776 74.8725 -12.5781 102.161 117.686 74.8713 117.685 -78.6549 GPRESSURE: 3306600 -174.628 24.1522 87.9225 -16.866 179.27 87.7372 10.2021 233.873 -41.4983 PRESSAVG: 3306600 -134.396 4.80044 30.4517 4.80038 99.6967 53.3583 30.4518 53.3584 30.5951 GPRESSAVG: 3306600 -135.513 3.92331 29.8797 3.61982 100.175 54.965 30.7565 52.4169 31.3309 TIMING: 3306600 CPU: 9884.51, 0.0030148/step Wall: 9884.51, 0.0030148/step, 1.41813 hours remaining, 205.226562 MB of memory in use. ENERGY: 3306600 771.3400 2071.0133 1910.0993 116.4819 -206492.4855 17826.0383 0.0000 0.0000 34152.7478 -149644.7649 298.2644 -183797.5128 -149549.5634 298.2670 -45.4037 -12.2853 557376.5318 -1.3679 -1.3358 PRESSURE: 3306800 -4.88781 8.02283 -43.6384 8.02387 223.336 7.44605 -43.639 7.44438 -101.773 GPRESSURE: 3306800 20.4898 -22.7075 41.4199 4.40865 223.354 -63.2252 -71.4076 40.8359 -28.1496 PRESSAVG: 3306800 -42.7738 3.77377 50.8419 3.77377 33.5072 5.18732 50.8419 5.18731 4.07074 GPRESSAVG: 3306800 -42.9583 4.30353 51.3838 5.39363 32.5555 5.03873 50.8595 5.86751 4.52485 TIMING: 3306800 CPU: 9885.11, 0.00301924/step Wall: 9885.11, 0.00301924/step, 1.42005 hours remaining, 205.226562 MB of memory in use. ENERGY: 3306800 779.0617 2113.4174 1935.3820 104.0313 -206410.8157 17883.8960 0.0000 0.0000 34142.2011 -149452.8261 298.1723 -183595.0273 -149357.5259 298.5894 38.8915 71.8980 556763.0380 -1.7319 -1.9593 PRESSURE: 3307000 291.799 120.352 5.38844 120.353 84.732 82.8365 5.39016 82.8365 113.919 GPRESSURE: 3307000 284.372 185.862 24.1938 136.044 154.08 155.267 -56.8892 90.7603 147.526 PRESSAVG: 3307000 2.14559 14.8822 -1.33817 14.8822 5.16872 22.6013 -1.33818 22.6012 -11.2326 GPRESSAVG: 3307000 2.10541 14.8444 -0.509076 14.034 6.24147 24.8754 -3.55749 19.9321 -12.4676 TIMING: 3307000 CPU: 9885.72, 0.00302392/step Wall: 9885.72, 0.00302392/step, 1.42208 hours remaining, 205.226562 MB of memory in use. ENERGY: 3307000 738.6486 2048.3324 1948.3527 109.4091 -206316.3775 17955.4190 0.0000 0.0000 33831.5055 -149684.7101 295.4590 -183516.2156 -149589.4923 298.4838 163.4835 195.3262 556013.1139 -1.3061 -1.3736 PRESSURE: 3307200 -94.9157 -3.24083 -12.199 -3.24051 162.805 35.5654 -12.1993 35.567 -152.204 GPRESSURE: 3307200 -101.618 48.2766 -34.9029 78.2494 194.497 21.4478 72.7264 44.3567 -86.8044 PRESSAVG: 3307200 -17.074 92.3082 39.2148 92.3082 5.64111 11.2261 39.2147 11.2261 5.96137 GPRESSAVG: 3307200 -16.5698 93.4474 38.4607 90.8843 5.54963 9.84661 40.2964 14.4812 6.58901 TIMING: 3307200 CPU: 9886.33, 0.00304523/step Wall: 9886.33, 0.00304523/step, 1.43193 hours remaining, 205.226562 MB of memory in use. ENERGY: 3307200 755.4566 2078.9871 1936.4139 98.0760 -206550.7888 17885.0795 0.0000 0.0000 34248.7046 -149548.0712 299.1025 -183796.7758 -149445.5625 297.8077 -28.1047 2.0249 557352.1670 -1.8238 -1.4770 PRESSURE: 3307400 248.244 -64.0805 100.094 -64.081 68.1023 53.2395 100.094 53.2383 114.335 GPRESSURE: 3307400 352.686 -104.283 36.4456 -110.03 48.3335 60.5435 50.7646 97.974 151.683 PRESSAVG: 3307400 41.1824 -51.9936 70.7562 -51.9937 33.0014 13.4335 70.7561 13.4335 -58.6577 GPRESSAVG: 3307400 40.3588 -55.703 68.7793 -48.417 32.6246 13.2376 73.9087 13.5771 -57.6089 TIMING: 3307400 CPU: 9886.93, 0.00302754/step Wall: 9886.93, 0.00302754/step, 1.42345 hours remaining, 205.226562 MB of memory in use. ENERGY: 3307400 745.1960 2124.4626 1945.5150 106.5031 -206446.0094 17961.4482 0.0000 0.0000 34088.5112 -149474.3732 297.7034 -183562.8844 -149379.8091 297.6864 143.5604 184.2339 555775.1071 5.1754 5.1248 PRESSURE: 3307600 -322.251 -25.5656 37.7377 -25.5656 -105.337 6.18324 37.7399 6.18259 -252.727 GPRESSURE: 3307600 -330.452 -2.24823 -54.8157 -10.8886 3.99354 71.5941 64.1399 -45.5492 -256.446 PRESSAVG: 3307600 -12.1669 0.69793 3.97563 0.697958 54.34 31.4005 3.97562 31.4004 14.9592 GPRESSAVG: 3307600 -11.4944 3.83001 6.72038 -1.46255 54.8478 29.3752 1.33072 32.1495 13.4238 TIMING: 3307600 CPU: 9887.54, 0.0030432/step Wall: 9887.54, 0.0030432/step, 1.43064 hours remaining, 205.226562 MB of memory in use. ENERGY: 3307600 762.5635 2131.5179 1960.6204 120.5454 -205799.4686 17390.0783 0.0000 0.0000 33877.5913 -149556.5518 295.8614 -183434.1431 -149464.7190 297.6674 -226.7718 -194.3015 557798.3619 19.0441 18.9257 PRESSURE: 3307800 175.317 -0.671397 -169.762 -0.670293 220.287 137.819 -169.762 137.82 -90.4874 GPRESSURE: 3307800 212.281 25.4175 -4.01978 -39.856 238.005 243.238 -213.993 83.3701 -53.9303 PRESSAVG: 3307800 -1.28585 51.8606 15.1449 51.8605 23.611 21.9049 15.1449 21.9049 2.94705 GPRESSAVG: 3307800 -0.413155 49.0818 15.0672 50.9212 23.0604 23.3141 15.3198 21.6503 2.46794 TIMING: 3307800 CPU: 9888.15, 0.00305419/step Wall: 9888.15, 0.00305419/step, 1.43564 hours remaining, 205.226562 MB of memory in use. ENERGY: 3307800 732.0133 2127.4401 1944.0456 114.1161 -206468.8663 17872.5630 0.0000 0.0000 34297.6713 -149381.0168 299.5301 -183678.6882 -149288.9553 298.6497 101.7056 132.1187 557269.8582 8.4241 8.3717 PRESSURE: 3308000 -149.399 92.4016 -37.7154 92.4006 -275.637 -114.345 -37.7156 -114.347 -153.585 GPRESSURE: 3308000 -105.071 99.668 -153.321 91.5289 -250.321 -49.7506 -67.5652 -124.552 -110.027 PRESSAVG: 3308000 -53.8809 64.235 -15.6024 64.2349 54.463 0.879522 -15.6022 0.879479 -14.8293 GPRESSAVG: 3308000 -54.8553 64.5139 -18.8799 67.2714 54.7952 1.46258 -16.664 -1.8038 -14.4129 TIMING: 3308000 CPU: 9888.76, 0.00306184/step Wall: 9888.76, 0.00306184/step, 1.43906 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: 3308000 760.6831 2080.6038 1928.9337 124.4689 -205754.8211 17409.8400 0.0000 0.0000 34113.5375 -149336.7542 297.9220 -183450.2917 -149230.2236 299.1249 -192.8737 -155.1400 556630.2560 -4.7490 -4.8243 PRESSURE: 3308200 26.0398 -40.8122 -235.117 -40.8127 189.75 53.9702 -235.118 53.9712 266.032 GPRESSURE: 3308200 116.078 -100.223 -236.558 81.6258 182.713 115.692 -203.602 31.1394 283.695 PRESSAVG: 3308200 1.14874 28.5495 7.71547 28.5495 2.15136 0.215647 7.71559 0.215527 12.166 GPRESSAVG: 3308200 1.9837 30.7455 9.52541 26.2921 0.458381 1.13085 8.9428 1.20925 13.1941 TIMING: 3308200 CPU: 9889.37, 0.00303669/step Wall: 9889.37, 0.00303669/step, 1.42707 hours remaining, 205.226562 MB of memory in use. ENERGY: 3308200 767.1427 2108.9017 1955.2118 109.5223 -206862.1274 18100.8915 0.0000 0.0000 34376.9416 -149443.5157 300.2224 -183820.4573 -149350.9485 299.6288 160.6073 194.1619 555595.0643 5.1554 5.2121 LDB: ============= START OF LOAD BALANCING ============== 9892.81 LDB: ============== END OF LOAD BALANCING =============== 9892.81 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9892.81 LDB: ============= START OF LOAD BALANCING ============== 9893.11 LDB: Largest compute 4819 load 0.029368 is 24.9% of average load 0.118048 LDB: Average compute 0.001738 is 1.5% of average load 0.118048 LDB: TIME 9893.11 LOAD: AVG 0.118048 MAX 0.209204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.027 MB LDB: TIME 9893.11 LOAD: AVG 0.118048 MAX 0.209204 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.031 MB LDB: TIME 9893.11 LOAD: AVG 0.118048 MAX 0.209204 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.031 MB LDB: ============== END OF LOAD BALANCING =============== 9893.11 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9893.12 PRESSURE: 3308400 105.272 61.8023 -34.2677 61.8023 26.3529 -79.0969 -34.2676 -79.0974 192.867 GPRESSURE: 3308400 168.2 84.1239 25.7491 -15.0089 16.4259 -14.2217 -134.263 -90.3033 237.371 PRESSAVG: 3308400 -31.5412 29.9581 49.2617 29.9581 32.6967 -4.45074 49.2616 -4.45067 26.4778 GPRESSAVG: 3308400 -32.3278 28.6491 50.1693 30.9552 34.7238 -6.39941 48.8396 -4.72805 25.5688 TIMING: 3308400 CPU: 9889.99, 0.00308733/step Wall: 9889.99, 0.00308733/step, 1.4507 hours remaining, 206.710938 MB of memory in use. ENERGY: 3308400 750.1665 2098.7701 1938.6329 99.7854 -206212.4942 17835.9968 0.0000 0.0000 34062.2554 -149426.8871 297.4741 -183489.1425 -149331.4333 298.8920 108.1637 140.6654 554474.8607 9.2111 9.3216 PRESSURE: 3308600 166.79 71.7676 48.1287 71.7689 254.163 -215.61 48.1282 -215.61 237.178 GPRESSURE: 3308600 100.625 131.614 99.2829 100.57 364.327 -204.086 30.4166 -183.337 289.456 PRESSAVG: 3308600 -57.9538 -12.59 63.8638 -12.5901 44.4537 6.19656 63.8638 6.19656 -11.1188 GPRESSAVG: 3308600 -58.3081 -11.9477 62.299 -13.2267 43.7045 5.44935 64.6322 6.9103 -9.67238 TIMING: 3308600 CPU: 9890.6, 0.00303974/step Wall: 9890.6, 0.00303975/step, 1.42817 hours remaining, 206.710938 MB of memory in use. ENERGY: 3308600 735.1544 2065.0483 1930.3142 101.9519 -206406.6372 18123.6847 0.0000 0.0000 34148.1489 -149302.3347 298.2243 -183450.4837 -149206.6806 298.4785 219.3770 251.4692 556685.3386 -8.2063 -8.0920 PRESSURE: 3308800 169.245 103.644 186.279 103.646 216.911 14.8394 186.277 14.8393 27.4221 GPRESSURE: 3308800 176.205 91.1743 199.125 20.756 244.806 20.7876 154.656 -70.4488 89.5213 PRESSAVG: 3308800 -16.6042 31.0968 20.695 31.0968 -42.3132 45.7108 20.695 45.7109 27.6268 GPRESSAVG: 3308800 -15.4338 30.4588 22.0124 30.2838 -42.8636 45.8464 19.8101 43.9954 26.8505 TIMING: 3308800 CPU: 9891.21, 0.00305446/step Wall: 9891.21, 0.00305446/step, 1.43492 hours remaining, 206.710938 MB of memory in use. ENERGY: 3308800 725.9145 2072.6862 1933.8584 112.4859 -206397.9482 17929.6062 0.0000 0.0000 34271.0775 -149352.3196 299.2978 -183623.3970 -149255.5919 298.9841 137.8593 170.1776 556566.4086 -10.4302 -10.4823 PRESSURE: 3309000 30.2065 110.828 33.1853 110.828 19.737 44.5335 33.1858 44.5342 -11.4442 GPRESSURE: 3309000 75.919 141.27 81.5658 49.3799 29.3978 32.4727 -74.054 83.1102 22.5577 PRESSAVG: 3309000 5.67354 4.46873 16.3749 4.46877 32.1674 -33.3154 16.3749 -33.3153 -59.5982 GPRESSAVG: 3309000 5.44185 4.46654 16.4319 6.49239 32.6812 -33.5049 16.2822 -32.3915 -60.1193 TIMING: 3309000 CPU: 9891.82, 0.00305386/step Wall: 9891.82, 0.00305386/step, 1.43447 hours remaining, 206.710938 MB of memory in use. ENERGY: 3309000 773.1013 2127.7190 1923.0847 118.4126 -206554.2100 18036.4404 0.0000 0.0000 34193.7043 -149381.7476 298.6221 -183575.4519 -149281.6213 298.5351 12.8331 42.6248 557893.9979 -7.2524 -7.3321 PRESSURE: 3309200 66.7976 63.1706 2.74332 63.1699 -270.559 24.2596 2.74194 24.2589 -10.3227 GPRESSURE: 3309200 130.619 32.2977 -14.8267 111.352 -192.214 3.12181 -39.6525 22.8143 -62.7709 PRESSAVG: 3309200 -3.18432 12.8061 -15.7204 12.8061 -3.53258 23.2822 -15.7205 23.2822 -8.30099 GPRESSAVG: 3309200 -3.96534 13.7649 -16.8295 10.651 -3.15472 23.5167 -15.6344 24.4952 -7.89261 TIMING: 3309200 CPU: 9892.43, 0.00305518/step Wall: 9892.43, 0.00305518/step, 1.43492 hours remaining, 206.710938 MB of memory in use. ENERGY: 3309200 775.5313 2088.3664 1913.3185 114.5052 -206715.1757 17921.7979 0.0000 0.0000 34288.1509 -149613.5056 299.4469 -183901.6564 -149512.7603 298.7811 -71.3613 -41.4553 556247.3599 -5.0060 -5.0042 PRESSURE: 3309400 -20.844 63.888 -263.103 63.8874 -44.874 18.0445 -263.103 18.0437 -258.169 GPRESSURE: 3309400 2.6505 68.7447 -210.663 48.2746 -0.753833 -7.36679 -223.269 -8.34927 -226.863 PRESSAVG: 3309400 16.7362 -3.12075 -20.7317 -3.12076 -6.03269 3.0586 -20.7317 3.05866 8.05108 GPRESSAVG: 3309400 16.8182 -3.91507 -21.1022 -1.07481 -5.71231 3.14481 -20.3386 2.18239 7.77071 TIMING: 3309400 CPU: 9893.04, 0.0030373/step Wall: 9893.04, 0.0030373/step, 1.42635 hours remaining, 206.710938 MB of memory in use. ENERGY: 3309400 759.3044 2110.3892 1914.0631 106.2176 -206038.5008 17658.3224 0.0000 0.0000 34191.7080 -149298.4961 298.6047 -183490.2041 -149204.1273 298.6069 -107.9624 -74.9887 557352.3791 6.2515 6.2922 PRESSURE: 3309600 179.937 194.542 147.325 194.541 -116.311 -22.5958 147.324 -22.5957 178.254 GPRESSURE: 3309600 209.593 185.26 212.18 159.372 -104.772 -132.772 85.5129 -25.5141 235.529 PRESSAVG: 3309600 30.9413 -53.7594 24.5998 -53.7595 21.1447 -20.6235 24.5997 -20.6236 -42.1848 GPRESSAVG: 3309600 31.5712 -54.2347 25.1311 -54.6094 20.1044 -20.2954 24.3989 -22.493 -42.1531 TIMING: 3309600 CPU: 9893.64, 0.00302028/step Wall: 9893.64, 0.00302028/step, 1.41819 hours remaining, 206.710938 MB of memory in use. ENERGY: 3309600 702.0354 2073.8045 1938.4416 97.1047 -206279.6228 17821.0996 0.0000 0.0000 34214.7403 -149432.3966 298.8058 -183647.1370 -149338.5208 298.1520 80.6266 113.4503 555433.8487 3.3004 3.1742 PRESSURE: 3309800 -173.221 20.9 -38.2147 20.8999 -182.214 25.402 -38.2153 25.4021 -128.791 GPRESSURE: 3309800 -143.991 65.5603 26.6462 -24.3538 -164.522 73.7698 -99.9793 24.0516 -78.4766 PRESSAVG: 3309800 -17.9018 34.1774 1.03147 34.1774 -35.7497 33.3783 1.03152 33.3782 34.2419 GPRESSAVG: 3309800 -19.3795 36.7916 1.85237 33.2222 -34.8949 32.4835 1.017 35.0856 34.6126 TIMING: 3309800 CPU: 9894.25, 0.00303508/step Wall: 9894.25, 0.00303508/step, 1.42497 hours remaining, 206.710938 MB of memory in use. ENERGY: 3309800 698.9711 2117.4434 1926.7765 118.4666 -205897.6501 17536.4942 0.0000 0.0000 34163.6832 -149335.8152 298.3599 -183499.4984 -149243.7592 298.1221 -161.4087 -128.9968 558541.2991 -6.4699 -6.5539 PRESSURE: 3310000 -200.384 18.7218 -29.4689 18.7212 108.036 20.7553 -29.4682 20.7535 -109.056 GPRESSURE: 3310000 -204.333 -75.8705 -80.8703 47.2738 152.521 43.1643 23.5514 -6.48166 -58.3532 PRESSAVG: 3310000 -3.25864 4.03103 -19.3415 4.03103 22.9759 46.7819 -19.3413 46.782 -44.5733 GPRESSAVG: 3310000 -2.03324 1.97198 -20.467 5.37819 21.5336 48.1932 -17.3909 47.3523 -44.639 TIMING: 3310000 CPU: 9894.86, 0.00304199/step Wall: 9894.86, 0.00304199/step, 1.42804 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: 3310000 756.1804 2133.3839 1926.0817 121.2902 -206152.7803 17685.6134 0.0000 0.0000 34130.2003 -149400.0305 298.0675 -183530.2307 -149310.9500 299.0324 -67.1348 -36.7218 555706.3759 -8.2853 -8.3796 PRESSURE: 3310200 242.025 -105.828 93.6059 -105.828 18.4317 44.6245 93.6047 44.6245 249.416 GPRESSURE: 3310200 245.371 -129.518 130.268 -97.7128 58.4022 117.642 133.877 19.6635 302.755 PRESSAVG: 3310200 -30.9608 -60.2282 -35.066 -60.2281 64.8768 18.8523 -35.066 18.8522 -25.6419 GPRESSAVG: 3310200 -31.5198 -59.8671 -31.3567 -60.2003 65.8651 19.6963 -37.1153 17.4326 -25.6922 TIMING: 3310200 CPU: 9895.47, 0.00304425/step Wall: 9895.47, 0.00304425/step, 1.42894 hours remaining, 206.710938 MB of memory in use. ENERGY: 3310200 710.7974 2112.1557 1930.3944 109.6352 -206240.2124 17901.1884 0.0000 0.0000 34189.3046 -149286.7367 298.5837 -183476.0412 -149186.5742 298.8331 169.9575 202.1760 555400.4604 2.7580 2.8844 PRESSURE: 3310400 145.184 77.9042 -112.38 77.9046 191.346 -36.202 -112.38 -36.2004 37.1557 GPRESSURE: 3310400 193.202 41.6515 -80.2239 46.1118 186.981 -81.7764 -92.2305 9.45196 76.7828 PRESSAVG: 3310400 -17.6143 -21.9252 27.5133 -21.9252 26.2804 46.8584 27.5133 46.8584 27.3044 GPRESSAVG: 3310400 -17.7545 -21.2645 24.6662 -21.3243 26.4739 43.5597 28.0992 48.203 27.5287 TIMING: 3310400 CPU: 9896.08, 0.00304679/step Wall: 9896.08, 0.00304679/step, 1.42996 hours remaining, 206.710938 MB of memory in use. ENERGY: 3310400 723.1440 2059.7482 1925.7201 114.8436 -206163.1617 17850.6098 0.0000 0.0000 34354.0107 -149135.0853 300.0221 -183489.0960 -149044.8932 298.3281 124.5616 152.3216 555037.0908 11.9902 12.0827 PRESSURE: 3310600 -93.8409 10.5424 235.128 10.5415 -265.655 -140.038 235.126 -140.038 -45.2841 GPRESSURE: 3310600 -47.6886 45.3641 245.598 -82.7487 -191.443 -176.277 238.547 -92.2798 -75.3169 PRESSAVG: 3310600 9.74839 31.9463 -30.2906 31.9464 19.7965 49.0854 -30.2906 49.0852 -25.9131 GPRESSAVG: 3310600 10.3439 31.2376 -30.4488 29.6336 20.1156 51.4873 -28.3561 47.2813 -26.3073 TIMING: 3310600 CPU: 9896.68, 0.00303072/step Wall: 9896.68, 0.00303071/step, 1.42225 hours remaining, 206.710938 MB of memory in use. ENERGY: 3310600 718.9229 2114.0511 1936.1705 121.4396 -205999.5441 17661.2204 0.0000 0.0000 34166.6647 -149281.0748 298.3860 -183447.7395 -149184.2373 299.2329 -134.9266 -104.8160 557520.0503 1.2106 1.3841 PRESSURE: 3310800 112.222 19.1809 103.076 19.1798 -201.602 -7.89786 103.077 -7.9009 -230.612 GPRESSURE: 3310800 136.153 -35.0921 80.3775 51.938 -142.24 12.2139 128.747 -0.102538 -213.871 PRESSAVG: 3310800 -8.21877 18.5941 -15.8982 18.5942 -20.858 -15.2133 -15.8981 -15.2134 18.758 GPRESSAVG: 3310800 -9.04549 18.0019 -15.3331 19.401 -20.6752 -15.4837 -17.5638 -14.3475 19.8701 TIMING: 3310800 CPU: 9897.29, 0.00302367/step Wall: 9897.29, 0.00302367/step, 1.41878 hours remaining, 206.710938 MB of memory in use. ENERGY: 3310800 758.7292 2089.8991 1920.5748 116.0646 -206181.5709 17697.6211 0.0000 0.0000 34283.0676 -149315.6145 299.4026 -183598.6821 -149221.0906 299.1660 -106.6638 -73.3194 558493.0203 -3.4396 -3.2835 PRESSURE: 3311000 -177.45 33.8166 -230.974 33.8154 -163.244 20.9506 -230.975 20.9502 76.2049 GPRESSURE: 3311000 -143.846 19.2153 -240.747 25.4063 -120.086 -19.2398 -194.974 71.7029 90.2925 PRESSAVG: 3311000 60.9114 -17.8771 -19.1604 -17.877 5.22195 9.38548 -19.1604 9.38549 -85.9118 GPRESSAVG: 3311000 61.4517 -16.9657 -21.3689 -17.6118 5.58434 9.89712 -19.0518 6.81663 -86.4373 TIMING: 3311000 CPU: 9897.89, 0.00303853/step Wall: 9897.89, 0.00303853/step, 1.42558 hours remaining, 206.710938 MB of memory in use. ENERGY: 3311000 740.2136 2075.1213 1947.0151 121.0193 -206251.7067 17760.4522 0.0000 0.0000 34284.5747 -149323.3106 299.4157 -183607.8853 -149230.4805 299.2778 -88.1632 -57.8800 557126.8541 -6.5928 -6.4671 PRESSURE: 3311200 175.186 113.686 -34.7435 113.685 166.688 199.966 -34.7451 199.968 73.5301 GPRESSURE: 3311200 211.684 128.314 -54.966 34.0143 167.866 139.291 -71.4428 114.703 135.371 PRESSAVG: 3311200 -21.7515 4.10284 -100.831 4.10293 -6.39964 10.8449 -100.831 10.8449 9.30169 GPRESSAVG: 3311200 -21.1379 1.52404 -98.4799 6.40594 -7.04498 10.7303 -101.307 11.3202 9.51374 TIMING: 3311200 CPU: 9898.5, 0.00302774/step Wall: 9898.5, 0.00302774/step, 1.42035 hours remaining, 206.710938 MB of memory in use. ENERGY: 3311200 761.3550 2077.5957 1942.4550 113.2023 -206429.5487 17954.4609 0.0000 0.0000 34330.8726 -149249.6072 299.8200 -183580.4798 -149154.5064 299.2222 138.4681 171.6405 556055.4025 -6.2831 -6.2230 PRESSURE: 3311400 7.29805 44.6313 22.4058 44.6318 -291.916 -159.34 22.4052 -159.344 0.585687 GPRESSURE: 3311400 -0.723666 4.43435 -83.5405 73.1832 -264.615 -248.852 -27.2885 -105.99 87.2121 PRESSAVG: 3311400 50.1408 2.76145 -42.3139 2.76146 27.362 -29.9711 -42.314 -29.9711 -57.3246 GPRESSAVG: 3311400 50.5536 3.68533 -43.513 2.26469 27.6649 -29.0046 -40.1716 -29.8621 -57.8742 TIMING: 3311400 CPU: 9899.11, 0.00306687/step Wall: 9899.11, 0.00306687/step, 1.43853 hours remaining, 206.710938 MB of memory in use. ENERGY: 3311400 767.0416 2057.5169 1935.5166 109.2473 -206413.8696 17799.1053 0.0000 0.0000 34478.2038 -149267.2380 301.1067 -183745.4419 -149165.7300 299.0126 -94.6773 -59.3756 556513.0818 6.7261 6.7815 PRESSURE: 3311600 101.566 -155.036 41.5634 -155.037 84.809 -23.1292 41.563 -23.1296 115.724 GPRESSURE: 3311600 149.364 -148.399 70.6663 -189.728 90.1615 73.8496 0.52219 -127.146 150.031 PRESSAVG: 3311600 25.9398 2.47373 -51.8991 2.47381 7.0337 -43.5368 -51.8992 -43.5368 -24.9973 GPRESSAVG: 3311600 25.5572 1.9366 -51.5745 1.53544 7.02132 -45.3495 -54.8981 -43.0219 -24.1255 TIMING: 3311600 CPU: 9899.72, 0.0030556/step Wall: 9899.72, 0.0030556/step, 1.43308 hours remaining, 206.710938 MB of memory in use. ENERGY: 3311600 727.5003 2111.3955 1924.6157 101.9261 -206425.2781 17975.3241 0.0000 0.0000 34245.0071 -149339.5092 299.0702 -183584.5163 -149243.0328 299.1209 100.6996 129.8523 557056.8239 2.6587 2.8177 PRESSURE: 3311800 -377.72 24.9416 -41.7796 24.9422 -437.109 -100.015 -41.7805 -100.016 -286.068 GPRESSURE: 3311800 -380.371 44.5367 -108.759 12.6127 -386.9 -84.9989 2.45001 -161.53 -242.152 PRESSAVG: 3311800 3.90853 41.0919 -38.584 41.0918 24.5408 1.89108 -38.5839 1.89097 -12.1268 GPRESSAVG: 3311800 2.97853 42.6669 -38.0727 38.1365 24.6447 2.73468 -37.4639 1.89146 -11.9155 TIMING: 3311800 CPU: 9900.33, 0.00303408/step Wall: 9900.33, 0.00303408/step, 1.42282 hours remaining, 206.710938 MB of memory in use. ENERGY: 3311800 776.5892 2077.3733 1955.4551 115.0041 -205881.7520 17365.7599 0.0000 0.0000 34109.4428 -149482.1277 297.8862 -183591.5705 -149384.9338 299.0850 -366.9656 -336.4742 558391.5287 5.4408 5.2359 PRESSURE: 3312000 -130.663 -160.387 230.099 -160.387 -236.21 67.9639 230.098 67.9651 227.721 GPRESSURE: 3312000 -50.7365 -170.447 181.045 -125.801 -194.634 220.42 234.394 56.2404 199.364 PRESSAVG: 3312000 -38.296 69.0145 42.5439 69.0146 -42.9322 12.3653 42.5439 12.3654 27.6407 GPRESSAVG: 3312000 -37.388 69.0835 41.9626 71.4455 -43.3973 13.8248 43.7134 11.3245 27.5099 TIMING: 3312000 CPU: 9900.94, 0.00304193/step Wall: 9900.94, 0.00304193/step, 1.42633 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: 3312000 771.9396 2135.8703 1925.5388 114.8118 -206547.1859 17962.0978 0.0000 0.0000 34304.9576 -149331.9700 299.5937 -183636.9276 -149242.5665 299.2060 -46.3842 -15.3353 558185.2346 -17.8625 -17.7585 PRESSURE: 3312200 56.5864 -25.5798 94.6565 -25.5809 -32.0913 4.16625 94.6572 4.16615 -157.314 GPRESSURE: 3312200 119.119 -53.125 42.0756 -114.889 -20.4392 -22.4812 211.953 64.37 -135.96 PRESSAVG: 3312200 33.0545 10.808 96.1641 10.808 9.86614 -24.5757 96.1641 -24.5757 -1.46944 GPRESSAVG: 3312200 33.3156 10.0205 96.6408 10.104 9.85258 -26.9686 95.0835 -22.8375 -1.49713 TIMING: 3312200 CPU: 9901.55, 0.00304001/step Wall: 9901.55, 0.00304001/step, 1.42526 hours remaining, 206.710938 MB of memory in use. ENERGY: 3312200 741.5920 2085.9022 1946.3482 117.2061 -206113.0867 17707.3017 0.0000 0.0000 34303.2029 -149211.5335 299.5784 -183514.7364 -149114.3377 298.8680 -44.2728 -12.4268 558651.2477 13.8171 13.8903 LDB: ============= START OF LOAD BALANCING ============== 9904.98 LDB: ============== END OF LOAD BALANCING =============== 9904.98 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9904.98 LDB: ============= START OF LOAD BALANCING ============== 9905.29 LDB: Largest compute 4819 load 0.027503 is 23.3% of average load 0.118030 LDB: Average compute 0.001735 is 1.5% of average load 0.118030 LDB: TIME 9905.3 LOAD: AVG 0.11803 MAX 0.214015 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.957 MB LDB: TIME 9905.3 LOAD: AVG 0.11803 MAX 0.214015 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.961 MB LDB: TIME 9905.3 LOAD: AVG 0.11803 MAX 0.214015 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.961 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9905.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9905.3 PRESSURE: 3312400 -8.52108 15.4904 -59.3678 15.4917 -13.3253 22.1712 -59.3682 22.171 -295.861 GPRESSURE: 3312400 -44.355 30.7095 -91.0569 30.1383 -5.05683 68.8016 -109.138 37.4509 -167.478 PRESSAVG: 3312400 8.03269 -46.4558 68.9281 -46.4558 24.3931 14.9683 68.9281 14.9682 -26.162 GPRESSAVG: 3312400 7.48134 -44.7214 68.2701 -45.9305 25.0408 14.253 69.9086 15.4516 -26.3793 TIMING: 3312400 CPU: 9902.17, 0.00312608/step Wall: 9902.17, 0.00312608/step, 1.46544 hours remaining, 205.699219 MB of memory in use. ENERGY: 3312400 742.3736 2104.8178 1910.7259 108.9202 -206174.7214 17843.8384 0.0000 0.0000 34251.3304 -149212.7151 299.1254 -183464.0455 -149113.3786 299.6406 -105.9026 -72.2965 559416.4754 2.0879 2.0476 PRESSURE: 3312600 87.2911 59.2723 204.383 59.2737 55.3691 55.9778 204.382 55.9782 206.434 GPRESSURE: 3312600 126.439 152.668 205.922 32.1464 141.538 46.4868 197.406 68.8244 178.669 PRESSAVG: 3312600 85.3037 -18.4355 20.3197 -18.4354 -45.1007 131.343 20.3197 131.343 -69.4932 GPRESSAVG: 3312600 84.9736 -20.5553 20.2903 -18.5501 -44.9616 133.385 18.7505 130.483 -70.1771 TIMING: 3312600 CPU: 9902.79, 0.00307465/step Wall: 9902.79, 0.00307465/step, 1.44116 hours remaining, 205.902344 MB of memory in use. ENERGY: 3312600 783.8797 2145.2532 1935.2433 110.4408 -206429.1332 18132.5629 0.0000 0.0000 34094.5419 -149227.2114 297.7561 -183321.7533 -149141.1914 299.6171 116.3646 148.8821 557811.8373 -9.7634 -10.0550 PRESSURE: 3312800 -149.253 -55.5381 -77.2952 -55.5383 -39.4971 16.5536 -77.2948 16.554 -204.331 GPRESSURE: 3312800 -112.304 -97.978 -65.8068 4.83603 40.3167 -9.78897 -133.492 91.4832 -222.319 PRESSAVG: 3312800 18.3972 5.62997 -12.1387 5.62993 -9.88295 34.4858 -12.1387 34.4857 -8.14829 GPRESSAVG: 3312800 17.8865 6.69125 -11.5072 5.3447 -10.5944 36.7425 -12.5973 32.2476 -7.4024 TIMING: 3312800 CPU: 9903.4, 0.00304156/step Wall: 9903.4, 0.00304156/step, 1.42548 hours remaining, 205.902344 MB of memory in use. ENERGY: 3312800 774.6150 2130.6536 1937.7194 98.7159 -206073.5110 17757.1596 0.0000 0.0000 34172.0215 -149202.6260 298.4328 -183374.6475 -149106.0079 299.6691 -131.0271 -98.1020 556828.1465 0.1220 -0.0368 PRESSURE: 3313000 -156.274 -81.7043 -67.7991 -81.7054 -156.51 -156.377 -67.7991 -156.376 248.824 GPRESSURE: 3313000 -137.734 -54.592 -18.3192 -68.9552 -117.782 -103.448 -100.542 -140.258 293.114 PRESSAVG: 3313000 56.5772 59.6665 -14.9773 59.6664 -21.4591 7.04749 -14.9774 7.04746 -25.9025 GPRESSAVG: 3313000 57.7218 57.4598 -15.922 59.3072 -21.2135 3.89727 -13.082 7.73626 -27.0747 TIMING: 3313000 CPU: 9904, 0.00303971/step Wall: 9904, 0.00303971/step, 1.42444 hours remaining, 205.902344 MB of memory in use. ENERGY: 3313000 757.3376 2134.0709 1959.0540 106.9124 -206531.0833 17786.4820 0.0000 0.0000 34396.4781 -149390.7483 300.3930 -183787.2264 -149291.9044 299.0714 -21.3200 12.5327 556033.3308 3.0718 3.1445 PRESSURE: 3313200 371.278 -7.95387 -124.473 -7.95386 78.207 -155.434 -124.474 -155.434 -78.5025 GPRESSURE: 3313200 355.15 -103.652 -158.08 -18.5638 125.072 -104.888 -136.83 -165.973 -8.18357 PRESSAVG: 3313200 -13.6502 -45.8618 0.662219 -45.8618 37.6952 8.68278 0.662207 8.6827 -14.1441 GPRESSAVG: 3313200 -14.3689 -47.0143 0.165677 -43.8998 37.1522 8.65951 -0.126982 11.4424 -12.7964 TIMING: 3313200 CPU: 9904.61, 0.00303934/step Wall: 9904.61, 0.00303934/step, 1.4241 hours remaining, 205.902344 MB of memory in use. ENERGY: 3313200 759.8086 2132.8599 1934.0069 121.6925 -206659.4593 17991.4345 0.0000 0.0000 34319.1649 -149400.4919 299.7178 -183719.6569 -149307.4901 298.5055 123.6609 157.3460 556518.5478 3.3003 3.3290 PRESSURE: 3313400 -348.127 4.38385 -43.9384 4.38364 -171.292 75.3984 -43.9386 75.3979 -228.91 GPRESSURE: 3313400 -271.294 -3.25786 67.0978 2.88619 -134.31 60.3125 -128.328 26.6452 -252.483 PRESSAVG: 3313400 37.1296 -36.0436 -31.8979 -36.0436 -32.6463 48.3691 -31.8979 48.3691 -7.19863 GPRESSAVG: 3313400 36.3497 -34.2122 -32.0909 -36.6878 -32.8999 49.66 -31.5298 46.0992 -6.27 TIMING: 3313400 CPU: 9905.22, 0.00303406/step Wall: 9905.22, 0.00303406/step, 1.42146 hours remaining, 205.902344 MB of memory in use. ENERGY: 3313400 776.3303 2017.4741 1917.5359 123.5856 -205863.8466 17333.5975 0.0000 0.0000 34174.1705 -149521.1526 298.4515 -183695.3231 -149424.0142 298.0645 -249.4431 -219.3622 558596.9968 -0.9051 -0.9401 PRESSURE: 3313600 -301.963 7.75489 -70.0658 7.75558 -232.513 100.843 -70.0655 100.843 -65.7786 GPRESSURE: 3313600 -254.81 53.2149 17.8738 -66.6761 -170.242 94.4432 -143.881 180.465 -77.5879 PRESSAVG: 3313600 -58.7252 -5.77462 -63.8636 -5.77453 55.4558 34.8197 -63.8635 34.8198 3.74817 GPRESSAVG: 3313600 -59.0962 -3.29695 -63.0379 -6.63441 57.108 34.0785 -63.4415 35.1052 2.52066 TIMING: 3313600 CPU: 9905.83, 0.00304086/step Wall: 9905.83, 0.00304086/step, 1.42447 hours remaining, 205.902344 MB of memory in use. ENERGY: 3313600 742.9485 2099.2453 1948.7433 111.0557 -206068.3625 17485.5042 0.0000 0.0000 34155.8018 -149525.0637 298.2911 -183680.8656 -149435.7776 297.6777 -200.0849 -167.5467 557491.3818 0.1596 0.1775 PRESSURE: 3313800 111.268 68.203 110.679 68.2035 -157.436 -86.9312 110.68 -86.9293 12.6495 GPRESSURE: 3313800 125.223 56.7227 212.463 45.4357 -110.089 -73.8882 74.6069 -45.0163 60.9236 PRESSAVG: 3313800 38.2744 19.4414 20.8773 19.4413 -18.1942 25.232 20.8772 25.232 -28.3666 GPRESSAVG: 3313800 39.2524 17.9772 21.8841 18.3865 -20.9308 25.5067 19.5762 24.8571 -27.0598 TIMING: 3313800 CPU: 9906.43, 0.00304003/step Wall: 9906.43, 0.00304003/step, 1.42392 hours remaining, 205.902344 MB of memory in use. ENERGY: 3313800 765.1062 2086.7682 1885.1182 113.4020 -206232.1166 17770.2521 0.0000 0.0000 33971.9439 -149639.5260 296.6854 -183611.4699 -149540.6716 298.2015 -11.1730 25.3524 557031.2371 -2.7621 -2.9127 PRESSURE: 3314000 0.42052 -126.908 -109.702 -126.908 149.973 -61.8841 -109.702 -61.8833 -131.683 GPRESSURE: 3314000 8.96548 -69.3337 -182.258 -217.637 179.213 -112.436 -137.433 -44.602 -77.1476 PRESSAVG: 3314000 41.7925 -9.32288 -36.1337 -9.3228 6.19173 35.7119 -36.1337 35.7119 -32.459 GPRESSAVG: 3314000 40.1861 -10.4795 -36.6354 -7.54707 8.00597 33.9381 -35.3991 37.6019 -32.6882 TIMING: 3314000 CPU: 9907.04, 0.00303007/step Wall: 9907.04, 0.00303007/step, 1.41908 hours remaining, 205.902344 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: 3314000 724.5384 2052.5298 1929.0880 106.4109 -206104.7053 17636.3890 0.0000 0.0000 33986.3147 -149669.4345 296.8109 -183655.7492 -149569.6282 298.1108 6.2368 37.0103 556998.0249 5.1751 5.1680 PRESSURE: 3314200 41.3558 112.609 37.9032 112.609 105.397 25.092 37.9053 25.0929 126.09 GPRESSURE: 3314200 3.94398 93.1182 101.003 149.943 144.574 50.1379 -24.262 52.8635 216.538 PRESSAVG: 3314200 34.8644 5.56261 -27.6141 5.56261 -11.7259 21.5996 -27.6142 21.5997 18.0346 GPRESSAVG: 3314200 37.0637 3.9562 -28.5466 7.10552 -12.5764 22.6037 -26.4547 20.677 16.9578 TIMING: 3314200 CPU: 9907.65, 0.0030478/step Wall: 9907.65, 0.0030478/step, 1.42722 hours remaining, 205.902344 MB of memory in use. ENERGY: 3314200 732.2903 2042.0040 1886.2994 114.8918 -206359.8548 17922.2676 0.0000 0.0000 34137.5526 -149524.5491 298.1317 -183662.1017 -149430.0526 298.5305 90.9476 121.6851 556515.7937 13.7244 13.8150 PRESSURE: 3314400 150.29 17.9408 30.7715 17.9405 394.988 21.3971 30.7718 21.3966 31.1043 GPRESSURE: 3314400 122.796 -9.6868 -42.9193 23.8637 482.266 -40.5175 85.2318 -34.3784 72.3605 PRESSAVG: 3314400 -42.0926 12.6552 -27.7595 12.6552 7.28819 33.2563 -27.7596 33.2561 20.7179 GPRESSAVG: 3314400 -43.7079 14.1862 -27.8728 12.5636 8.16071 32.7768 -27.2867 33.5931 21.3516 TIMING: 3314400 CPU: 9908.26, 0.0030317/step Wall: 9908.26, 0.0030317/step, 1.41951 hours remaining, 205.902344 MB of memory in use. ENERGY: 3314400 733.7056 2035.3029 1912.2313 100.9908 -206238.9711 18050.0188 0.0000 0.0000 34289.6517 -149117.0701 299.4601 -183406.7218 -149013.9153 299.3188 192.1276 225.8075 556462.1590 -4.6955 -4.7319 PRESSURE: 3314600 18.1624 -39.2761 135.229 -39.2755 192.338 -45.9981 135.23 -45.9978 22.0085 GPRESSURE: 3314600 69.6336 24.3634 164.432 -70.7191 219.471 -54.5451 165.154 -67.1402 43.655 PRESSAVG: 3314600 -13.2822 -24.5865 -18.7693 -24.5865 24.328 1.55968 -18.7693 1.55963 -29.0665 GPRESSAVG: 3314600 -13.5779 -24.2852 -16.469 -27.3218 23.9673 2.364 -21.7738 -0.165769 -28.9942 TIMING: 3314600 CPU: 9908.86, 0.00303082/step Wall: 9908.86, 0.00303082/step, 1.41893 hours remaining, 205.902344 MB of memory in use. ENERGY: 3314600 705.4589 2087.5745 1908.8651 118.7150 -206106.1358 17854.5737 0.0000 0.0000 34290.7331 -149140.2154 299.4695 -183430.9485 -149029.6551 299.2546 77.5028 110.9200 557087.1990 -6.0069 -6.2016 PRESSURE: 3314800 -257.912 -133.876 -75.3673 -133.876 -77.4372 -70.7566 -75.3669 -70.7575 -318.167 GPRESSURE: 3314800 -253.76 -206.331 -90.7502 -91.3324 -74.5964 -104.003 -70.5433 -160.166 -217.614 PRESSAVG: 3314800 -46.8062 -68.519 -5.21707 -68.5191 15.8358 -33.9985 -5.21711 -33.9985 44.7027 GPRESSAVG: 3314800 -45.9812 -68.1161 -4.34577 -65.962 15.2699 -35.7487 -3.1307 -32.6156 44.8012 TIMING: 3314800 CPU: 9909.47, 0.00302605/step Wall: 9909.47, 0.00302605/step, 1.41653 hours remaining, 205.902344 MB of memory in use. ENERGY: 3314800 756.7474 2104.9682 1900.9009 98.1744 -205795.6815 17410.2339 0.0000 0.0000 34433.5473 -149091.1094 300.7167 -183524.6566 -149001.2786 299.7252 -217.8388 -181.9903 557850.4998 4.5774 4.6966 PRESSURE: 3315000 -93.7184 15.0349 -63.599 15.0339 -206.365 64.7312 -63.5984 64.7305 -244.507 GPRESSURE: 3315000 -105.333 30.192 -116.859 -16.0497 -168.635 53.9077 7.0108 84.9585 -191.052 PRESSAVG: 3315000 46.8253 -13.381 -73.6732 -13.381 -9.10294 31.6749 -73.6732 31.6749 -24.8986 GPRESSAVG: 3315000 46.269 -13.0355 -73.5729 -13.727 -9.34628 33.601 -75.9373 30.194 -24.1745 TIMING: 3315000 CPU: 9910.07, 0.00302628/step Wall: 9910.07, 0.00302628/step, 1.41647 hours remaining, 205.902344 MB of memory in use. ENERGY: 3315000 764.4241 2089.2652 1933.0908 112.3641 -205683.6452 17483.1798 0.0000 0.0000 34141.4438 -149159.8773 298.1657 -183301.3211 -149065.5462 299.8246 -181.5300 -155.0068 555906.1702 4.2746 4.2494 PRESSURE: 3315200 -100.89 -23.9094 37.094 -23.9102 175.162 10.2083 37.0944 10.2088 120.437 GPRESSURE: 3315200 -29.5181 14.1242 -13.4987 -39.1654 187.927 49.9631 102.483 -46.2238 133.777 PRESSAVG: 3315200 -27.1772 64.9501 6.21059 64.9501 19.4479 15.1985 6.21057 15.1985 1.54934 GPRESSAVG: 3315200 -27.962 64.5295 5.89624 62.0059 20.4103 15.3749 7.63163 17.6644 0.780132 TIMING: 3315200 CPU: 9910.68, 0.00301156/step Wall: 9910.68, 0.00301156/step, 1.40941 hours remaining, 205.902344 MB of memory in use. ENERGY: 3315200 746.0219 2098.8268 1938.4247 116.4641 -206262.1349 17812.9156 0.0000 0.0000 34597.9412 -148951.5405 302.1524 -183549.4817 -148860.0363 299.8182 64.9030 97.3953 555001.8748 -2.0600 -2.2572 PRESSURE: 3315400 362.337 -9.90854 -56.1485 -9.90864 252.967 -38.9381 -56.1474 -38.938 271.768 GPRESSURE: 3315400 399.486 -51.2082 -37.7568 45.2549 326.879 -58.1754 -14.7006 -4.30169 267.853 PRESSAVG: 3315400 -9.60019 0.544952 39.0119 0.544839 4.20219 11.7427 39.0119 11.7426 -53.4372 GPRESSAVG: 3315400 -9.29716 -1.1715 38.4968 2.1624 3.13983 12.8669 38.9221 9.24769 -52.9255 TIMING: 3315400 CPU: 9911.28, 0.00302205/step Wall: 9911.28, 0.00302205/step, 1.41415 hours remaining, 205.902344 MB of memory in use. ENERGY: 3315400 736.0576 2128.5604 1934.7014 104.1503 -206333.2049 18052.4426 0.0000 0.0000 34410.5630 -148966.7296 300.5160 -183377.2926 -148868.2010 300.5905 295.6905 331.4061 555368.4400 -19.6117 -19.6943 PRESSURE: 3315600 100.112 50.1864 -26.009 50.1858 297.8 42.3305 -26.0086 42.3301 -109.105 GPRESSURE: 3315600 167.285 -27.5268 -131.951 66.2571 287.007 68.1119 -48.5422 1.8996 -55.1251 PRESSAVG: 3315600 23.0643 53.0692 -34.6291 53.0691 64.3522 10.1809 -34.6292 10.1809 -60.9899 GPRESSAVG: 3315600 23.7289 53.8292 -35.109 54.3308 64.2911 10.7703 -32.636 9.10384 -62.2847 TIMING: 3315600 CPU: 9911.88, 0.0030195/step Wall: 9911.88, 0.0030195/step, 1.41279 hours remaining, 205.902344 MB of memory in use. ENERGY: 3315600 786.4709 2094.0730 1946.4590 111.0124 -206311.2174 17933.7269 0.0000 0.0000 34437.4302 -149002.0450 300.7506 -183439.4751 -148908.1719 300.6701 96.2692 133.0555 555530.1686 8.8089 8.5784 PRESSURE: 3315800 -33.475 145.427 20.2787 145.428 -65.7025 28.5058 20.2785 28.5061 7.43539 GPRESSURE: 3315800 -36.3327 237.851 42.4852 107.531 -32.1987 14.4529 23.8326 55.3281 63.7767 PRESSAVG: 3315800 -34.0251 -56.2712 -16.557 -56.2712 17.386 6.1148 -16.5569 6.11479 16.8 GPRESSAVG: 3315800 -34.6242 -56.5447 -14.7925 -58.1236 17.168 3.39699 -17.8061 8.6324 17.6242 TIMING: 3315800 CPU: 9912.49, 0.00301229/step Wall: 9912.49, 0.00301229/step, 1.40925 hours remaining, 205.902344 MB of memory in use. ENERGY: 3315800 755.9410 2080.7488 1952.4127 116.9249 -205833.5219 17715.7489 0.0000 0.0000 34308.0382 -148903.7074 299.6206 -183211.7456 -148802.9009 300.2749 -30.5807 -1.5849 555755.6899 0.0536 0.0560 PRESSURE: 3316000 52.615 43.204 -40.131 43.2053 108.462 188.494 -40.1302 188.495 -292.914 GPRESSURE: 3316000 107.901 -47.06 -102.445 134.071 113.21 134.635 55.1442 206.832 -255.424 PRESSAVG: 3316000 -27.636 4.73383 12.2055 4.73387 32.7042 -11.413 12.2055 -11.413 13.621 GPRESSAVG: 3316000 -26.9453 2.50582 10.443 6.70587 33.6051 -9.83018 13.2101 -12.6059 12.2355 TIMING: 3316000 CPU: 9913.09, 0.00302943/step Wall: 9913.09, 0.00302943/step, 1.4171 hours remaining, 205.902344 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: 3316000 795.9900 2065.6517 1933.2460 119.7401 -205970.7974 17801.1366 0.0000 0.0000 34177.8395 -149077.1935 298.4836 -183255.0330 -148977.6184 299.3548 -43.9454 -11.4379 556450.2809 6.2297 6.2984 PRESSURE: 3316200 -233.291 -114.783 86.4883 -114.783 -186.768 8.20517 86.4876 8.20509 -92.9589 GPRESSURE: 3316200 -194.536 -188.948 89.2051 -65.3232 -120.634 -44.6876 92.0646 -59.6392 -84.5779 PRESSAVG: 3316200 67.3403 31.7652 -37.7742 31.7651 9.93706 12.0327 -37.7742 12.0328 -79.0839 GPRESSAVG: 3316200 66.2871 34.8909 -38.4813 30.6548 10.2331 10.9053 -38.5415 13.9891 -78.0871 TIMING: 3316200 CPU: 9913.69, 0.00299851/step Wall: 9913.69, 0.00299851/step, 1.40247 hours remaining, 205.902344 MB of memory in use. ENERGY: 3316200 778.1070 2101.4503 1956.1054 107.7967 -206046.5566 17587.4280 0.0000 0.0000 34476.2697 -149039.3996 301.0898 -183515.6693 -148935.1225 300.2326 -171.0059 -133.2493 556675.5736 -0.6022 -0.5223 LDB: ============= START OF LOAD BALANCING ============== 9917.12 LDB: ============== END OF LOAD BALANCING =============== 9917.12 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9917.12 LDB: ============= START OF LOAD BALANCING ============== 9917.43 LDB: Largest compute 4819 load 0.028853 is 24.4% of average load 0.118034 LDB: Average compute 0.001735 is 1.5% of average load 0.118034 LDB: TIME 9917.43 LOAD: AVG 0.118034 MAX 0.211119 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.73 MB LDB: TIME 9917.43 LOAD: AVG 0.118034 MAX 0.211119 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.793 MB LDB: TIME 9917.43 LOAD: AVG 0.118034 MAX 0.211119 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.793 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9917.43 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9917.44 PRESSURE: 3316400 43.8045 167.263 -67.2946 167.262 241.737 53.1224 -67.2953 53.1222 12.8096 GPRESSURE: 3316400 113.924 169.506 37.3161 183.682 287.623 27.2345 -80.5345 62.505 -7.81565 PRESSAVG: 3316400 -14.957 -26.7531 17.6774 -26.7531 36.6533 24.6357 17.6774 24.6357 13.0795 GPRESSAVG: 3316400 -13.8477 -25.7098 18.4466 -28.0086 35.3982 25.3737 20.5003 22.8846 13.3848 TIMING: 3316400 CPU: 9914.31, 0.00308092/step Wall: 9914.31, 0.00308092/step, 1.44084 hours remaining, 206.589844 MB of memory in use. ENERGY: 3316400 755.6842 2146.0273 1948.6467 112.0530 -206068.1746 17773.4382 0.0000 0.0000 34177.9643 -149154.3608 298.4847 -183332.3251 -149065.8435 299.2021 99.4502 131.2435 557004.9480 11.5920 11.6451 PRESSURE: 3316600 -277.045 -26.0482 105.947 -26.0472 25.6116 -21.8671 105.947 -21.8661 -230.712 GPRESSURE: 3316600 -271.914 -36.6623 131.75 -54.069 57.3717 26.8689 55.4905 -7.54501 -183.782 PRESSAVG: 3316600 -48.5883 -0.558028 36.2748 -0.557966 -6.12493 15.5068 36.2749 15.5068 60.2378 GPRESSAVG: 3316600 -49.8366 -2.09573 35.6863 0.810746 -4.86293 15.836 35.6895 15.8926 60.1489 TIMING: 3316600 CPU: 9914.91, 0.00302895/step Wall: 9914.91, 0.00302895/step, 1.41637 hours remaining, 206.789062 MB of memory in use. ENERGY: 3316600 751.0044 2113.4339 1937.8258 115.4959 -205907.4738 17600.1283 0.0000 0.0000 34276.9904 -149112.5949 299.3495 -183389.5854 -149009.2021 299.3677 -160.7152 -132.7748 557748.9825 1.8415 1.8165 PRESSURE: 3316800 -18.5611 -18.5875 70.9548 -18.5876 73.4745 -123.186 70.9544 -123.185 33.1779 GPRESSURE: 3316800 2.3697 -52.8754 75.0249 36.7995 98.9922 -185.864 -10.7639 -159.853 82.9427 PRESSAVG: 3316800 -78.5411 -14.5016 41.0705 -14.5016 26.7501 -43.0542 41.0704 -43.0541 8.59937 GPRESSAVG: 3316800 -78.3365 -13.8438 40.1899 -14.9215 27.3898 -42.9467 40.2049 -41.9525 7.44296 TIMING: 3316800 CPU: 9915.51, 0.00300201/step Wall: 9915.51, 0.00300201/step, 1.4036 hours remaining, 206.789062 MB of memory in use. ENERGY: 3316800 744.5787 2094.4108 1946.4272 120.7780 -206071.3440 17774.6855 0.0000 0.0000 34367.2974 -149023.1665 300.1382 -183390.4639 -148928.3578 299.6838 29.3637 61.4349 555597.5952 -14.3972 -14.5012 PRESSURE: 3317000 -263.216 -95.2118 51.5872 -95.2126 -94.9214 60.4122 51.5889 60.4126 -161.454 GPRESSURE: 3317000 -227.856 -141.656 84.1799 -55.4013 -93.0733 -89.743 50.7469 168.163 -101.02 PRESSAVG: 3317000 55.572 -63.1795 -43.5147 -63.1794 -11.3015 -41.6253 -43.5147 -41.6253 -7.07636 GPRESSAVG: 3317000 55.8329 -65.8254 -42.6582 -61.6949 -13.0899 -42.9534 -44.3838 -42.7666 -6.26059 TIMING: 3317000 CPU: 9916.12, 0.003022/step Wall: 9916.12, 0.003022/step, 1.41278 hours remaining, 206.789062 MB of memory in use. ENERGY: 3317000 736.7528 2135.6336 1940.0163 114.7609 -205543.6369 17237.5335 0.0000 0.0000 34418.9633 -148959.9765 300.5894 -183378.9398 -148863.9202 300.4907 -173.1969 -140.6497 555639.9160 12.3980 12.1608 PRESSURE: 3317200 1.86726 9.47621 -47.818 9.47603 42.3934 195.481 -47.8177 195.481 -47.3663 GPRESSURE: 3317200 87.0524 6.24023 1.26585 0.92858 39.922 70.4283 -71.4337 154.13 -38.9048 PRESSAVG: 3317200 22.9998 -1.55735 10.2973 -1.55731 -25.0358 4.95747 10.2973 4.9574 -32.4873 GPRESSAVG: 3317200 22.2073 -0.447372 11.4956 -2.98095 -24.6228 4.79766 9.887 5.56691 -32.2311 TIMING: 3317200 CPU: 9916.72, 0.00300097/step Wall: 9916.72, 0.00300097/step, 1.40279 hours remaining, 206.789062 MB of memory in use. ENERGY: 3317200 749.5243 2066.6967 1947.4506 122.4837 -206166.2449 17869.3236 0.0000 0.0000 34467.9691 -148942.7969 301.0173 -183410.7660 -148849.9910 300.4427 -1.0352 29.3565 555430.7034 -11.5078 -11.5489 PRESSURE: 3317400 253.824 -179.146 103.891 -179.146 -9.57954 -264.644 103.89 -264.646 -110.918 GPRESSURE: 3317400 234.952 -129.387 112.754 -184.233 84.494 -218.349 50.0992 -266.928 -96.4871 PRESSAVG: 3317400 75.543 0.809355 -7.80375 0.809393 -13.2236 -17.363 -7.80371 -17.3631 -100.037 GPRESSAVG: 3317400 77.1333 2.60151 -9.06316 0.912232 -13.224 -13.6083 -6.39533 -18.4896 -101.582 TIMING: 3317400 CPU: 9917.32, 0.00302929/step Wall: 9917.32, 0.00302929/step, 1.41586 hours remaining, 206.789062 MB of memory in use. ENERGY: 3317400 741.1926 2056.6250 1912.5928 117.1665 -205799.8722 17803.7995 0.0000 0.0000 34388.2168 -148780.2791 300.3209 -183168.4959 -148691.3719 300.6511 44.4422 74.3197 558315.6663 -12.5725 -12.5575 PRESSURE: 3317600 372.614 124.868 19.6136 124.869 234.394 -101.439 19.6114 -101.438 128.881 GPRESSURE: 3317600 369.421 118.533 22.1031 166.019 307.431 -182.864 42.4024 -42.1892 152.772 PRESSAVG: 3317600 -18.7715 29.9531 -46.4051 29.9531 -12.3865 -32.1427 -46.4051 -32.1427 40.6302 GPRESSAVG: 3317600 -19.9729 29.3788 -46.3343 28.7879 -11.8597 -37.21 -46.4071 -29.8522 41.2011 TIMING: 3317600 CPU: 9917.93, 0.00303758/step Wall: 9917.93, 0.00303758/step, 1.41956 hours remaining, 206.789062 MB of memory in use. ENERGY: 3317600 751.4685 2110.4939 1931.2284 118.3025 -206053.0704 18121.3504 0.0000 0.0000 34323.7888 -148696.4379 299.7582 -183020.2266 -148602.7452 300.4767 245.2962 276.5414 558579.3087 3.1574 3.1228 PRESSURE: 3317800 -226.85 -151.799 -62.8082 -151.799 83.6859 -192.331 -62.8082 -192.329 115.679 GPRESSURE: 3317800 -194.247 -133.999 0.994047 -156.792 128.611 -142.21 -34.0359 -213.914 136.393 PRESSAVG: 3317800 -16.8267 -7.12648 -4.83438 -7.12641 23.9384 -42.4278 -4.83431 -42.4277 -2.83855 GPRESSAVG: 3317800 -15.4628 -9.28267 -3.82982 -5.13525 24.1879 -41.0152 -3.41448 -44.4173 -3.69048 TIMING: 3317800 CPU: 9918.54, 0.00303292/step Wall: 9918.54, 0.00303292/step, 1.41721 hours remaining, 206.789062 MB of memory in use. ENERGY: 3317800 765.9896 2043.5199 1946.0061 113.2996 -205764.0960 17675.0606 0.0000 0.0000 34493.5773 -148726.6429 301.2410 -183220.2201 -148622.6502 300.5141 -9.1619 23.5860 557632.0467 1.4244 1.6782 PRESSURE: 3318000 -27.5152 134.407 -55.2411 134.407 189.285 -32.2154 -55.2424 -32.2163 196.796 GPRESSURE: 3318000 -23.3878 70.0097 -113.083 167.058 232.491 -70.2198 -34.901 54.2155 253.836 PRESSAVG: 3318000 -19.9553 31.3593 -0.19306 31.3593 88.1088 -65.9308 -0.193019 -65.9309 -7.60836 GPRESSAVG: 3318000 -20.4242 32.2708 -1.5094 28.946 86.84 -66.7673 0.282238 -62.7842 -6.06681 TIMING: 3318000 CPU: 9919.15, 0.00306869/step Wall: 9919.15, 0.00306869/step, 1.43376 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: 3318000 740.1574 2112.6266 1961.5241 118.6637 -206061.0525 17906.5668 0.0000 0.0000 34541.2924 -148680.2215 301.6577 -183221.5139 -148582.0789 300.7200 119.5221 154.3130 557377.2272 20.1817 20.1163 PRESSURE: 3318200 212.082 -99.9641 281.31 -99.9647 -0.0285936 -17.3696 281.309 -17.369 -113.769 GPRESSURE: 3318200 275.456 -102.486 234.671 -35.9839 30.3524 5.57992 268.857 -46.0397 -101.679 PRESSAVG: 3318200 59.839 21.0411 22.5996 21.041 24.6536 -16.2673 22.5996 -16.2673 -56.2719 GPRESSAVG: 3318200 57.7881 20.5668 22.1619 21.7788 25.3788 -15.9196 19.7922 -18.9296 -55.7836 TIMING: 3318200 CPU: 9919.76, 0.00304464/step Wall: 9919.76, 0.00304464/step, 1.42235 hours remaining, 206.789062 MB of memory in use. ENERGY: 3318200 749.7006 2129.0677 1942.7453 115.9153 -205604.9558 17624.4418 0.0000 0.0000 34431.9068 -148611.1783 300.7024 -183043.0851 -148513.4706 301.3837 32.7615 68.0431 557235.2741 9.4069 9.1277 PRESSURE: 3318400 -229.914 -52.1993 25.5638 -52.1982 -88.9633 139.795 25.5639 139.794 -180.918 GPRESSURE: 3318400 -202.11 -81.1101 67.684 -38.7398 -87.1376 34.6065 22.7078 153.871 -107.515 PRESSAVG: 3318400 2.46367 14.2823 -15.586 14.2824 33.7706 53.1529 -15.586 53.1529 -24.667 GPRESSAVG: 3318400 3.71214 14.561 -14.6808 13.9452 33.6539 52.7216 -15.5324 55.1613 -25.8565 TIMING: 3318400 CPU: 9920.37, 0.00306036/step Wall: 9920.37, 0.00306036/step, 1.42953 hours remaining, 206.789062 MB of memory in use. ENERGY: 3318400 743.1427 2100.5541 1943.1824 121.6157 -205335.1054 17517.8679 0.0000 0.0000 34375.1127 -148533.6300 300.2064 -182908.7426 -148431.9650 301.4700 -166.5985 -132.2544 559267.9393 3.8558 3.8365 PRESSURE: 3318600 -306.57 6.12441 186.879 6.12477 95.635 55.5849 186.879 55.5847 121.691 GPRESSURE: 3318600 -280.561 57.7347 204.728 82.8557 164.908 51.729 245.851 35.8734 128.738 PRESSAVG: 3318600 -51.131 -47.5804 2.36999 -47.5804 30.305 19.3787 2.36994 19.3786 16.5486 GPRESSAVG: 3318600 -50.3453 -47.9403 0.567078 -46.9442 29.5176 20.9033 4.80178 18.6025 16.8726 TIMING: 3318600 CPU: 9920.99, 0.00307216/step Wall: 9920.99, 0.00307216/step, 1.43487 hours remaining, 206.789062 MB of memory in use. ENERGY: 3318600 764.6430 2134.5907 1944.1933 109.4873 -205638.6502 17595.1440 0.0000 0.0000 34473.1238 -148617.4682 301.0624 -183090.5919 -148516.9336 300.8058 -29.7480 4.3615 557242.5696 -1.4258 -1.3184 PRESSURE: 3318800 -135.263 67.5249 91.445 67.5226 -36.3414 111.395 91.4449 111.394 137.955 GPRESSURE: 3318800 -100.39 72.069 93.058 74.7403 -35.4775 20.2251 74.2547 130.057 198.761 PRESSAVG: 3318800 13.1571 33.241 84.6545 33.241 -66.3399 -2.2844 84.6546 -2.28432 79.7313 GPRESSAVG: 3318800 11.9739 33.5016 85.5056 33.039 -65.6442 -2.53857 83.088 -2.41963 80.2618 TIMING: 3318800 CPU: 9921.6, 0.0030533/step Wall: 9921.6, 0.0030533/step, 1.42589 hours remaining, 206.789062 MB of memory in use. ENERGY: 3318800 750.5116 2125.0114 1943.4820 110.2394 -205964.2014 17855.6918 0.0000 0.0000 34656.0159 -148523.2493 302.6596 -183179.2652 -148428.2020 301.3410 -11.2162 20.9645 558612.3872 8.8495 8.8638 PRESSURE: 3319000 251.345 -48.8592 -88.3716 -48.8597 148.152 -25.8407 -88.3721 -25.8399 341.61 GPRESSURE: 3319000 301.709 -84.674 -145.904 -105.898 169.513 -18.1331 -160.596 -70.9927 364.913 PRESSAVG: 3319000 -7.49264 9.41668 9.63535 9.41674 -37.8757 -50.611 9.63533 -50.6111 32.5144 GPRESSAVG: 3319000 -6.80485 9.91037 9.63998 8.58572 -38.407 -51.8159 8.7912 -51.5758 31.9941 TIMING: 3319000 CPU: 9922.21, 0.00305212/step Wall: 9922.21, 0.00305212/step, 1.42517 hours remaining, 206.789062 MB of memory in use. ENERGY: 3319000 784.8358 2090.7601 1928.3359 114.6185 -206197.9516 18057.9015 0.0000 0.0000 34527.5024 -148693.9974 301.5373 -183221.4997 -148602.4889 301.6555 247.0358 278.7120 557159.3174 -4.2846 -4.4059 PRESSURE: 3319200 106.594 82.9136 173.58 82.913 -219.414 -201.504 173.58 -201.503 -157.379 GPRESSURE: 3319200 143.065 35.8589 195.994 120.082 -197.948 -149.18 232.11 -221.838 -117.013 PRESSAVG: 3319200 -26.672 58.1023 -0.745272 58.1024 -13.3355 -55.7731 -0.745273 -55.7731 12.3163 GPRESSAVG: 3319200 -27.0071 58.0833 1.09489 58.9786 -14.3198 -54.3096 -0.503485 -54.9998 13.5716 TIMING: 3319200 CPU: 9922.81, 0.00298971/step Wall: 9922.81, 0.00298971/step, 1.39586 hours remaining, 206.789062 MB of memory in use. ENERGY: 3319200 749.0623 2045.5555 1952.6359 115.6689 -206152.8723 17807.3114 0.0000 0.0000 34562.5531 -148920.0852 301.8434 -183482.6382 -148827.7800 300.7553 -90.0663 -57.2990 558158.6917 -9.2304 -9.2518 PRESSURE: 3319400 171.16 -38.5749 -43.5235 -38.5744 -24.2995 -113.432 -43.5232 -113.432 110.141 GPRESSURE: 3319400 211.757 -65.9964 -14.0804 20.4685 12.1458 -130.019 -22.5672 -139.185 123.38 PRESSAVG: 3319400 16.8048 64.1191 -50.9377 64.1191 -35.4985 -4.89519 -50.9376 -4.89518 16.8075 GPRESSAVG: 3319400 17.7098 64.043 -52.7868 63.5422 -35.8423 -4.98043 -49.8144 -4.9253 16.01 TIMING: 3319400 CPU: 9923.41, 0.00300286/step Wall: 9923.41, 0.00300286/step, 1.40183 hours remaining, 206.789062 MB of memory in use. ENERGY: 3319400 712.8239 2074.4466 1962.5718 100.1953 -206350.1140 18034.7335 0.0000 0.0000 34553.4879 -148911.8549 301.7642 -183465.3427 -148819.5772 300.2928 85.6673 115.7611 557151.3911 -0.6287 -0.7075 PRESSURE: 3319600 -68.376 12.1832 76.5421 12.1828 267.296 76.3126 76.5406 76.3137 37.313 GPRESSURE: 3319600 -18.0057 75.0705 -18.0742 16.7431 241.316 80.2067 121.586 106.618 108.382 PRESSAVG: 3319600 -6.59869 33.1686 -57.1591 33.1685 105.66 -20.38 -57.1592 -20.38 -87.1113 GPRESSAVG: 3319600 -6.36619 33.1786 -57.1445 32.3924 105.267 -20.077 -56.8703 -20.166 -87.1327 TIMING: 3319600 CPU: 9924.01, 0.00300591/step Wall: 9924.01, 0.00300591/step, 1.40309 hours remaining, 206.789062 MB of memory in use. ENERGY: 3319600 750.7976 2046.3933 1929.9087 115.8941 -206313.9147 17898.9632 0.0000 0.0000 34587.8598 -148984.0979 302.0644 -183571.9577 -148893.3818 300.3535 78.7443 110.5642 556022.0190 3.9833 3.9229 PRESSURE: 3319800 148.427 69.5637 -57.058 69.5618 -162.347 93.6746 -57.0596 93.675 -100.358 GPRESSURE: 3319800 204.436 82.7601 -15.4292 -23.5463 -80.6808 69.9239 -20.5699 168.962 -134.538 PRESSAVG: 3319800 -29.611 2.46092 15.997 2.46099 101.2 13.0751 15.997 13.0752 -47.2665 GPRESSAVG: 3319800 -31.7054 1.18971 18.0057 2.95872 102.457 12.2892 15.1184 13.7194 -46.9512 TIMING: 3319800 CPU: 9924.61, 0.00301523/step Wall: 9924.61, 0.00301523/step, 1.40728 hours remaining, 206.789062 MB of memory in use. ENERGY: 3319800 742.6085 2131.9055 1903.4127 104.6885 -206118.1635 17711.3146 0.0000 0.0000 34517.7685 -149006.4652 301.4523 -183524.2338 -148904.4565 300.1850 -38.0927 -3.5941 557134.5151 8.1075 7.9334 PRESSURE: 3320000 -303.131 75.7597 -8.22577 75.7586 -65.7631 -5.42105 -8.22606 -5.42251 5.65883 GPRESSURE: 3320000 -233.834 97.9695 -46.2437 35.0125 -22.6324 -13.8593 112.17 79.1469 13.3052 PRESSAVG: 3320000 -6.75847 63.9167 -8.58647 63.9167 94.3996 33.9551 -8.58648 33.955 -53.1667 GPRESSAVG: 3320000 -6.24474 66.7701 -10.2049 62.7762 95.0229 34.49 -7.15802 31.7528 -54.4025 TIMING: 3320000 CPU: 9925.22, 0.003027/step Wall: 9925.22, 0.003027/step, 1.4126 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: 3320000 798.2892 2081.3791 1946.7268 117.5472 -206147.7350 17766.4819 0.0000 0.0000 34176.1079 -149261.2029 298.4685 -183437.3108 -149159.8143 300.0896 -121.0784 -81.0537 557533.2622 11.4915 11.4585 PRESSURE: 3320200 -10.0722 99.7672 -17.2405 99.7679 -113.241 166.752 -17.2408 166.752 -259.502 GPRESSURE: 3320200 56.419 122.234 -41.3411 149.779 -141.134 224.891 -55.5994 201.933 -197.56 PRESSAVG: 3320200 59.7149 55.1439 61.228 55.1439 46.9164 69.8078 61.2279 69.8078 -135.24 GPRESSAVG: 3320200 59.9543 54.9933 61.8627 55.2694 45.5186 69.6425 60.0514 71.2651 -133.788 TIMING: 3320200 CPU: 9925.82, 0.00301929/step Wall: 9925.82, 0.00301929/step, 1.40883 hours remaining, 206.789062 MB of memory in use. ENERGY: 3320200 763.5927 2085.9999 1930.2303 103.7480 -205835.8422 17569.7088 0.0000 0.0000 34290.5349 -149092.0275 299.4678 -183382.5625 -149004.0776 299.4934 -127.6052 -94.0918 555606.6340 -9.5364 -9.4385 LDB: ============= START OF LOAD BALANCING ============== 9929.25 LDB: ============== END OF LOAD BALANCING =============== 9929.26 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9929.26 LDB: ============= START OF LOAD BALANCING ============== 9929.56 LDB: Largest compute 4819 load 0.028896 is 24.5% of average load 0.118112 LDB: Average compute 0.001732 is 1.5% of average load 0.118112 LDB: TIME 9929.57 LOAD: AVG 0.118112 MAX 0.213389 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.02 MB LDB: TIME 9929.57 LOAD: AVG 0.118112 MAX 0.213389 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.023 MB LDB: TIME 9929.57 LOAD: AVG 0.118112 MAX 0.213389 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.023 MB LDB: ============== END OF LOAD BALANCING =============== 9929.57 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9929.57 PRESSURE: 3320400 69.9338 -172.689 -1.11078 -172.69 94.0184 57.9064 -1.11073 57.9056 -130.506 GPRESSURE: 3320400 96.6483 -126.51 89.6752 -203.267 124.573 76.1987 -54.2127 52.6649 -92.478 PRESSAVG: 3320400 33.98 -11.4352 -9.75356 -11.4352 29.3611 -11.613 -9.75347 -11.613 -59.8525 GPRESSAVG: 3320400 33.6653 -11.0219 -9.85642 -11.8203 29.5484 -12.5744 -8.42206 -11.9685 -60.2454 TIMING: 3320400 CPU: 9926.44, 0.00310545/step Wall: 9926.44, 0.00310545/step, 1.44886 hours remaining, 205.250000 MB of memory in use. ENERGY: 3320400 733.9680 2074.1560 1934.1631 113.0698 -205955.2020 17764.8106 0.0000 0.0000 34159.7973 -149175.2373 298.3260 -183335.0346 -149079.4040 299.4410 11.1487 42.9145 557619.3526 1.1629 0.9894 PRESSURE: 3320600 -134.151 -10.1548 -50.5422 -10.1551 268.069 35.7817 -50.543 35.7838 -75.8576 GPRESSURE: 3320600 -97.2915 -4.86334 -2.97962 7.64968 319.315 64.7831 -77.4177 -97.2304 -50.5564 PRESSAVG: 3320600 -36.1188 -37.7848 41.9285 -37.7847 88.6425 -57.9122 41.9285 -57.9121 -39.8638 GPRESSAVG: 3320600 -36.5484 -39.329 40.5997 -35.9031 88.7685 -55.6034 41.0338 -60.5215 -39.8566 TIMING: 3320600 CPU: 9927.06, 0.00306518/step Wall: 9927.06, 0.00306518/step, 1.42991 hours remaining, 205.250000 MB of memory in use. ENERGY: 3320600 724.6786 2094.2905 1923.2092 116.6563 -206392.0806 17851.6754 0.0000 0.0000 34448.5045 -149233.0661 300.8474 -183681.5706 -149134.9422 299.0216 19.3536 57.1556 556334.1881 4.2200 4.1211 PRESSURE: 3320800 24.6164 18.8449 75.9794 18.8458 -168.633 -174.926 75.9795 -174.927 -46.7779 GPRESSURE: 3320800 35.6468 17.2481 66.9087 43.6534 -87.2277 -165.074 85.6009 -80.1111 -37.3972 PRESSAVG: 3320800 -55.6679 34.2413 -5.09384 34.2414 11.868 -7.39986 -5.09386 -7.3998 73.5427 GPRESSAVG: 3320800 -56.1795 36.5293 -2.79863 31.9784 12.0945 -8.09726 -4.38345 -4.87162 73.7589 TIMING: 3320800 CPU: 9927.67, 0.00305746/step Wall: 9927.67, 0.00305746/step, 1.42613 hours remaining, 205.250000 MB of memory in use. ENERGY: 3320800 725.5408 2150.3999 1939.1197 121.0209 -205853.7661 17714.7658 0.0000 0.0000 34380.1655 -148822.7534 300.2505 -183202.9190 -148721.5669 299.9829 -63.5983 -29.6593 559308.6090 9.9143 9.8913 PRESSURE: 3321000 55.3536 -53.9314 -107.622 -53.9313 -2.49691 77.6955 -107.623 77.6956 -54.5673 GPRESSURE: 3321000 75.2951 -29.4295 -70.1994 -20.2091 48.348 95.0605 -167.488 72.4644 -20.8301 PRESSAVG: 3321000 -23.6881 16.5134 34.8357 16.5134 -29.439 22.9132 34.8358 22.9132 64.0015 GPRESSAVG: 3321000 -23.1978 15.2702 35.3555 18.945 -30.2362 22.4976 34.7317 23.7558 64.5846 TIMING: 3321000 CPU: 9928.28, 0.00306026/step Wall: 9928.28, 0.00306026/step, 1.42727 hours remaining, 205.250000 MB of memory in use. ENERGY: 3321000 725.2440 2102.6596 1942.2882 112.8152 -205923.4718 17891.6520 0.0000 0.0000 34400.8155 -148747.9974 300.4309 -183148.8129 -148655.0633 300.2596 -0.5702 34.2710 559653.5443 3.6248 3.7169 PRESSURE: 3321200 -142.208 -7.5795 70.3371 -7.57906 -78.2056 -91.4567 70.337 -91.4569 92.7636 GPRESSURE: 3321200 -154.054 -4.30188 95.2495 -21.381 -31.7147 -38.8925 92.2127 -127.919 152.9 PRESSAVG: 3321200 -12.7324 17.8357 -43.3249 17.8357 7.09659 -47.2744 -43.3249 -47.2745 -12.3124 GPRESSAVG: 3321200 -12.1161 16.5716 -43.1637 16.6854 7.81082 -49.7611 -43.6308 -45.9976 -14.0742 TIMING: 3321200 CPU: 9928.89, 0.00307003/step Wall: 9928.89, 0.00307003/step, 1.43166 hours remaining, 205.250000 MB of memory in use. ENERGY: 3321200 758.5856 2044.5884 1943.4937 120.6504 -205636.2747 17617.8755 0.0000 0.0000 34321.8640 -148829.2171 299.7414 -183151.0811 -148734.3474 300.7612 -42.5500 -10.9563 559434.5310 -5.9827 -6.1265 PRESSURE: 3321400 191.909 90.4847 -9.42176 90.4858 212.561 141.097 -9.42178 141.097 -146.217 GPRESSURE: 3321400 183.672 80.1968 31.3775 109.665 307.4 180.396 -93.8703 136.854 -139.259 PRESSAVG: 3321400 -68.0433 -60.6146 21.0857 -60.6146 7.79515 -10.1174 21.0857 -10.1175 27.9097 GPRESSAVG: 3321400 -68.7165 -60.8089 20.7573 -59.5593 7.5501 -7.78281 20.5861 -11.7685 28.152 TIMING: 3321400 CPU: 9929.5, 0.00305775/step Wall: 9929.5, 0.00305775/step, 1.42576 hours remaining, 205.250000 MB of memory in use. ENERGY: 3321400 713.4240 2164.0339 1915.2850 114.4406 -205962.1645 18029.3990 0.0000 0.0000 34307.2542 -148718.3278 299.6138 -183025.5820 -148622.4568 300.3772 86.0842 117.2712 560736.6074 -10.7795 -11.0048 PRESSURE: 3321600 -143.213 49.2719 16.7634 49.2706 49.7486 28.2453 16.7625 28.2443 161.924 GPRESSURE: 3321600 -174.627 155.841 14.4342 5.10978 150.848 52.9272 29.2561 35.6251 202.826 PRESSAVG: 3321600 27.9804 6.3655 46.9172 6.36545 -27.0085 -27.8087 46.9173 -27.8087 16.1413 GPRESSAVG: 3321600 27.4062 7.37563 46.2423 5.72097 -26.3817 -26.2991 47.8265 -29.8371 16.7392 TIMING: 3321600 CPU: 9930.12, 0.00305697/step Wall: 9930.12, 0.00305697/step, 1.42523 hours remaining, 205.250000 MB of memory in use. ENERGY: 3321600 751.9549 2078.8511 1964.2649 108.6980 -206074.6119 17956.5256 0.0000 0.0000 34426.6335 -148787.6839 300.6564 -183214.3173 -148693.7334 300.2908 22.8197 59.6821 559994.1634 5.7044 5.9212 PRESSURE: 3321800 81.5307 -83.5028 -77.3396 -83.5039 -8.14711 164.424 -77.3419 164.421 -324.241 GPRESSURE: 3321800 159.147 -94.8049 -87.6834 -42.0229 -26.835 148.671 -104.515 259.684 -278.887 PRESSAVG: 3321800 -9.71399 3.82526 -10.7789 3.82528 8.77477 56.3894 -10.779 56.3894 2.82457 GPRESSAVG: 3321800 -10.2898 4.94208 -9.60162 2.9347 8.83368 56.6691 -12.4842 57.598 2.7832 TIMING: 3321800 CPU: 9930.73, 0.00306064/step Wall: 9930.73, 0.00306064/step, 1.42677 hours remaining, 205.250000 MB of memory in use. ENERGY: 3321800 725.6018 2121.3366 1949.6372 117.0788 -205945.7777 17649.7760 0.0000 0.0000 34527.1653 -148855.1821 301.5343 -183382.3474 -148754.1039 300.2317 -83.6192 -48.8583 558698.8262 0.6284 0.4424 PRESSURE: 3322000 23.3519 10.5112 142.969 10.5123 -32.338 -3.18101 142.968 -3.18165 -242.547 GPRESSURE: 3322000 23.782 -115.626 115.357 72.4303 2.46362 -107.024 169.384 122.302 -186.82 PRESSAVG: 3322000 70.9337 -5.97293 67.3008 -5.973 29.6985 15.9077 67.3007 15.9075 -48.4645 GPRESSAVG: 3322000 70.6137 -5.48805 66.4466 -5.27652 30.0952 14.9386 67.5389 15.306 -48.5332 TIMING: 3322000 CPU: 9931.34, 0.00305977/step Wall: 9931.34, 0.00305977/step, 1.42619 hours remaining, 205.250000 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: 3322000 755.9206 2128.2207 1921.5428 108.9793 -206127.9952 17692.8761 0.0000 0.0000 34676.3042 -148844.1516 302.8368 -183520.4558 -148743.8710 300.5216 -83.8444 -53.5247 558630.7974 17.3892 17.3919 PRESSURE: 3322200 -14.9068 21.2189 97.6628 21.2174 43.8276 164.931 97.6613 164.929 220.921 GPRESSURE: 3322200 44.5399 37.299 110.686 -5.14665 112.488 129.779 102.645 161.226 193.469 PRESSAVG: 3322200 35.9098 21.819 23.4805 21.8191 -27.9821 16.1604 23.4805 16.1603 -32.8647 GPRESSAVG: 3322200 37.9999 21.9703 24.5135 19.7088 -29.9351 15.1363 23.3263 16.7686 -33.1666 TIMING: 3322200 CPU: 9931.95, 0.0030343/step Wall: 9931.95, 0.0030343/step, 1.41415 hours remaining, 205.250000 MB of memory in use. ENERGY: 3322200 736.7214 2125.5116 1948.0684 110.3358 -206047.9270 17912.0581 0.0000 0.0000 34365.5187 -148849.7129 300.1226 -183215.2316 -148751.9964 300.4844 83.2805 116.8324 559034.7739 -8.3123 -8.3673 PRESSURE: 3322400 -131.97 -3.35937 27.3359 -3.35875 -204.393 -159.581 27.3366 -159.581 17.9737 GPRESSURE: 3322400 -88.8009 -45.9918 -4.32742 32.1459 -226.2 -164.208 30.6475 -105.208 85.4197 PRESSAVG: 3322400 -102.912 -12.3629 14.4641 -12.3628 47.3458 37.0752 14.4641 37.0752 14.9785 GPRESSAVG: 3322400 -104.724 -14.047 14.6466 -10.3202 49.4392 38.0766 14.6506 37.1023 14.5479 TIMING: 3322400 CPU: 9932.56, 0.00305077/step Wall: 9932.56, 0.00305077/step, 1.42166 hours remaining, 205.250000 MB of memory in use. ENERGY: 3322400 769.7721 2142.3491 1945.1614 113.2622 -205828.8531 17850.2111 0.0000 0.0000 34360.8319 -148647.2653 300.0817 -183008.0972 -148549.0363 300.5077 -106.1298 -76.5270 560041.8912 -13.5291 -13.5791 PRESSURE: 3322600 -56.5632 -151.072 58.7386 -151.073 428.681 32.3855 58.7383 32.3861 -212.515 GPRESSURE: 3322600 -71.9137 -112.848 22.7965 -38.7611 473.523 -43.5656 65.5905 126.547 -151.987 PRESSAVG: 3322600 -86.0264 -37.7462 -22.1382 -37.7461 15.1763 4.04903 -22.1382 4.04904 39.9639 GPRESSAVG: 3322600 -85.9514 -37.4225 -26.0216 -36.9105 14.889 2.41359 -20.3504 2.86533 40.6076 TIMING: 3322600 CPU: 9933.17, 0.00305668/step Wall: 9933.17, 0.00305668/step, 1.42424 hours remaining, 205.250000 MB of memory in use. ENERGY: 3322600 744.8323 2086.7672 1922.1747 107.2352 -206070.9207 17996.5687 0.0000 0.0000 34483.0939 -148730.2485 301.1494 -183213.3425 -148626.4737 300.0507 53.2007 83.2074 558539.6228 -10.2954 -10.1516 PRESSURE: 3322800 -108.748 -36.2301 -10.4293 -36.2302 35.5492 102.774 -10.4295 102.773 87.6927 GPRESSURE: 3322800 -41.5076 -119.824 -136.048 49.6936 88.0128 159.867 64.1937 162.866 75.5707 PRESSAVG: 3322800 -61.4293 3.82422 21.7721 3.82425 38.254 4.83353 21.7721 4.83364 16.4043 GPRESSAVG: 3322800 -60.8375 1.80217 24.9241 2.296 37.1121 6.53997 20.9204 4.04146 17.0948 TIMING: 3322800 CPU: 9933.77, 0.00303197/step Wall: 9933.77, 0.00303197/step, 1.41256 hours remaining, 205.250000 MB of memory in use. ENERGY: 3322800 729.5063 2118.1336 1910.6792 105.5062 -205956.4114 17710.3335 0.0000 0.0000 34344.2513 -149038.0012 299.9369 -183382.2525 -148945.9061 301.0027 4.8315 40.6920 558434.0086 -2.2570 -2.2102 PRESSURE: 3323000 -94.7996 52.563 86.6771 52.563 -9.5187 8.41322 86.6759 8.41252 278.494 GPRESSURE: 3323000 -37.3605 39.483 -30.578 58.7511 28.3078 17.7728 74.9172 -53.6605 275.586 PRESSAVG: 3323000 -10.6609 68.7076 48.6683 68.7077 36.4631 -1.52154 48.6683 -1.52163 -2.18254 GPRESSAVG: 3323000 -11.8539 68.9933 48.2168 69.9705 37.8689 -4.0447 46.9715 1.2354 -2.52386 TIMING: 3323000 CPU: 9934.38, 0.0030158/step Wall: 9934.38, 0.0030158/step, 1.40486 hours remaining, 205.250000 MB of memory in use. ENERGY: 3323000 749.1764 2074.7213 1941.2113 101.2105 -206032.9645 17744.9134 0.0000 0.0000 34411.5112 -149010.2204 300.5243 -183421.7316 -148913.7384 299.9282 58.0587 88.8445 557508.4143 7.8732 7.8304 PRESSURE: 3323200 -233.927 -89.4162 82.2447 -89.4163 173.382 92.2883 82.2445 92.2885 42.8405 GPRESSURE: 3323200 -165.805 -88.133 -39.4716 -73.7237 164.041 123.486 129.63 139.915 66.5972 PRESSAVG: 3323200 -58.7404 -37.6491 -2.462 -37.6491 30.7682 46.6929 -2.46204 46.6929 32.682 GPRESSAVG: 3323200 -58.0594 -36.7256 -2.36857 -39.2996 29.863 46.8264 -0.584562 45.4314 32.8555 TIMING: 3323200 CPU: 9934.98, 0.00303636/step Wall: 9934.98, 0.00303636/step, 1.41427 hours remaining, 205.250000 MB of memory in use. ENERGY: 3323200 773.2777 2059.8000 1951.2151 103.0832 -206131.0798 17731.6653 0.0000 0.0000 34308.6811 -149203.3573 299.6262 -183512.0384 -149110.8004 299.3170 -5.9017 21.6111 556882.2869 1.5699 1.5530 PRESSURE: 3323400 108.324 -137.92 -67.4021 -137.921 -266.368 29.2863 -67.4023 29.2864 74.7211 GPRESSURE: 3323400 125.598 -128.718 -62.9137 -119.272 -165.189 20.5358 19.2959 -2.01275 57.2852 PRESSAVG: 3323400 7.10133 -5.46087 -33.1659 -5.46088 -35.038 48.1788 -33.1659 48.1789 45.4047 GPRESSAVG: 3323400 6.36482 -4.16294 -32.1917 -5.71475 -33.0313 49.5571 -34.7134 49.4147 44.8809 TIMING: 3323400 CPU: 9935.6, 0.00306447/step Wall: 9935.6, 0.00306447/step, 1.42719 hours remaining, 205.250000 MB of memory in use. ENERGY: 3323400 726.8831 2125.3086 1925.5892 106.0589 -206149.8698 17852.6601 0.0000 0.0000 34203.8853 -149209.4846 298.7110 -183413.3699 -149110.8833 298.5010 -27.7744 5.8982 557481.4300 5.8227 6.0715 PRESSURE: 3323600 -127.715 30.2208 165.596 30.2206 -168.641 -22.4582 165.596 -22.4579 26.1226 GPRESSURE: 3323600 -71.6298 39.2617 144.57 -28.5099 -148.211 43.0061 189.61 -91.8265 46.7407 PRESSAVG: 3323600 54.2838 -46.1146 6.85688 -46.1146 -15.4009 -2.04872 6.85679 -2.0487 -1.13417 GPRESSAVG: 3323600 55.1633 -45.0814 6.68706 -44.4271 -17.0102 -2.49907 7.2697 -3.0303 -0.397026 TIMING: 3323600 CPU: 9936.2, 0.00303054/step Wall: 9936.2, 0.00303054/step, 1.41122 hours remaining, 205.250000 MB of memory in use. ENERGY: 3323600 751.4253 2139.6073 1931.0452 112.8058 -206347.0094 17783.2007 0.0000 0.0000 34359.4947 -149269.4303 300.0700 -183628.9250 -149175.8598 300.0433 -90.0776 -57.7000 557732.4478 12.5829 12.5854 PRESSURE: 3323800 -7.38802 76.924 -139.747 76.9244 -18.9303 42.5314 -139.746 42.5313 -167.228 GPRESSURE: 3323800 45.1594 75.2188 6.38745 115.152 2.9569 73.1097 -189.959 123.114 -143.427 PRESSAVG: 3323800 26.8825 -7.50369 25.0337 -7.50367 -23.151 64.8021 25.0338 64.8022 11.4137 GPRESSAVG: 3323800 26.0583 -9.18995 22.383 -7.90131 -21.8547 64.9736 27.2049 64.5606 11.4798 TIMING: 3323800 CPU: 9936.81, 0.00304202/step Wall: 9936.81, 0.00304203/step, 1.4164 hours remaining, 205.250000 MB of memory in use. ENERGY: 3323800 783.1220 2049.4600 1956.1269 111.1821 -206230.5110 17855.1029 0.0000 0.0000 34202.7025 -149272.8146 298.7007 -183475.5171 -149175.7007 299.9196 -64.5154 -31.7702 557538.6078 5.0484 5.2278 PRESSURE: 3324000 -169.734 58.5975 -50.4323 58.598 -115.262 96.4217 -50.4328 96.4217 -63.6703 GPRESSURE: 3324000 -101.614 59.7445 -15.5951 -13.8842 -94.8153 110.639 -56.6756 56.6655 -64.132 PRESSAVG: 3324000 -53.1107 -0.645997 -16.6164 -0.645955 71.3609 -36.4378 -16.6164 -36.4378 -19.0751 GPRESSAVG: 3324000 -51.5216 1.41592 -14.3499 0.459329 69.8909 -36.6721 -18.4303 -38.7174 -19.3445 TIMING: 3324000 CPU: 9937.42, 0.00304368/step Wall: 9937.42, 0.00304368/step, 1.417 hours remaining, 205.250000 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: 3324000 763.7553 2116.9151 1954.5363 105.2322 -206006.5682 17602.2095 0.0000 0.0000 34017.9069 -149446.0131 297.0868 -183463.9200 -149344.7703 298.9010 -116.2221 -86.8538 559419.1970 -0.2750 -0.3251 PRESSURE: 3324200 -163.229 46.942 33.9132 46.9419 -90.1107 51.1867 33.9131 51.1874 355.563 GPRESSURE: 3324200 -59.8413 -5.17165 74.0976 42.9559 -60.3008 89.055 6.78338 -63.1622 316.144 PRESSAVG: 3324200 -94.2641 -22.9503 -49.8067 -22.9503 7.64848 49.6466 -49.8067 49.6466 69.8076 GPRESSAVG: 3324200 -94.8581 -22.1281 -52.2965 -23.694 8.31151 50.1952 -50.573 52.649 69.1649 TIMING: 3324200 CPU: 9938.03, 0.00303193/step Wall: 9938.03, 0.00303194/step, 1.41137 hours remaining, 205.250000 MB of memory in use. ENERGY: 3324200 771.0788 2066.1747 1936.7208 99.8451 -206667.1211 18103.9949 0.0000 0.0000 34263.3027 -149426.0042 299.2299 -183689.3068 -149342.2327 299.5562 34.0746 65.3338 557743.3244 -5.6027 -5.7939 LDB: ============= START OF LOAD BALANCING ============== 9941.46 LDB: ============== END OF LOAD BALANCING =============== 9941.46 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9941.46 LDB: ============= START OF LOAD BALANCING ============== 9941.76 LDB: Largest compute 4820 load 0.027962 is 23.7% of average load 0.118071 LDB: Average compute 0.001735 is 1.5% of average load 0.118071 LDB: TIME 9941.77 LOAD: AVG 0.118071 MAX 0.211596 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.531 MB LDB: TIME 9941.77 LOAD: AVG 0.118071 MAX 0.211596 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.602 MB LDB: TIME 9941.77 LOAD: AVG 0.118071 MAX 0.211596 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.602 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9941.77 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9941.77 PRESSURE: 3324400 -155.127 -76.2794 97.6104 -76.2794 -186.143 277.852 97.6105 277.852 -261.161 GPRESSURE: 3324400 -149.717 -71.1031 39.1088 -116.12 -172.303 301.914 126.284 215.396 -180.94 PRESSAVG: 3324400 -16.6551 4.6323 -16.4093 4.63226 -52.743 81.8652 -16.4094 81.8654 65.7453 GPRESSAVG: 3324400 -16.0834 2.50147 -14.5615 4.65221 -53.1182 82.4615 -14.8106 81.3923 65.998 TIMING: 3324400 CPU: 9938.64, 0.00307278/step Wall: 9938.64, 0.00307278/step, 1.43021 hours remaining, 205.289062 MB of memory in use. ENERGY: 3324400 781.6917 2066.9070 1907.8240 105.4385 -206164.5799 17637.1684 0.0000 0.0000 34383.6958 -149281.8545 300.2814 -183665.5503 -149184.5198 298.8496 -200.8104 -167.6533 559762.9894 -1.2176 -1.0679 PRESSURE: 3324600 49.545 48.8035 20.098 48.8024 80.6641 3.45333 20.0978 3.45317 -219.22 GPRESSURE: 3324600 63.5081 110.495 -34.6862 -0.0799034 104.809 -22.8899 6.01814 -7.7953 -162.303 PRESSAVG: 3324600 -33.7733 7.06293 8.67392 7.06282 -11.6948 3.65232 8.67392 3.65239 13.1889 GPRESSAVG: 3324600 -34.8029 6.77143 7.06404 7.37344 -10.7946 1.76722 8.51142 3.70622 13.1252 TIMING: 3324600 CPU: 9939.25, 0.00306127/step Wall: 9939.25, 0.00306127/step, 1.42468 hours remaining, 205.289062 MB of memory in use. ENERGY: 3324600 776.8010 2109.4313 1958.8191 115.3467 -206336.0796 17933.1174 0.0000 0.0000 34368.5246 -149074.0395 300.1489 -183442.5641 -148970.7949 299.0542 -29.6704 2.0047 558432.3000 -10.7597 -10.8241 PRESSURE: 3324800 -46.3261 2.5528 -129.594 2.55344 -49.5791 301.582 -129.593 301.583 -94.2675 GPRESSURE: 3324800 -58.957 14.5349 -216.286 -13.4595 61.3924 276.726 -134.443 329.875 -95.2353 PRESSAVG: 3324800 50.3967 -7.02845 -17.6652 -7.02839 30.907 0.796617 -17.6652 0.796687 -14.8499 GPRESSAVG: 3324800 49.4547 -7.61816 -16.2556 -5.91908 31.3991 2.57988 -18.0767 -0.0333892 -14.7868 TIMING: 3324800 CPU: 9939.87, 0.00305408/step Wall: 9939.87, 0.00305408/step, 1.42117 hours remaining, 205.289062 MB of memory in use. ENERGY: 3324800 751.7539 2137.5791 1933.8869 102.1392 -206130.3503 17821.0641 0.0000 0.0000 34109.7246 -149274.2026 297.8887 -183383.9271 -149175.8477 299.1423 -63.3909 -30.9333 558203.1140 22.1513 22.0224 PRESSURE: 3325000 73.3333 -3.9977 -31.5908 -3.99965 92.1872 -43.2858 -31.5906 -43.2857 -138.094 GPRESSURE: 3325000 74.6102 23.6483 -59.1962 -6.77484 109.768 -35.2965 36.566 5.84737 -61.6754 PRESSAVG: 3325000 -18.7597 -1.73963 -55.1836 -1.7396 14.1588 -57.5765 -55.1836 -57.5766 -71.5019 GPRESSAVG: 3325000 -16.3304 -1.41969 -57.3769 -3.27558 12.2781 -58.4296 -53.1686 -58.1271 -71.5264 TIMING: 3325000 CPU: 9940.47, 0.00302227/step Wall: 9940.47, 0.00302227/step, 1.40619 hours remaining, 205.289062 MB of memory in use. ENERGY: 3325000 774.8646 2088.9947 1934.1110 117.8309 -206251.7862 17946.7737 0.0000 0.0000 34218.4857 -149170.7257 298.8385 -183389.2113 -149078.6811 299.1775 9.1421 40.9009 558063.2924 -25.3676 -25.1929 PRESSURE: 3325200 -172.158 -121.713 63.0058 -121.714 -272.719 127.879 63.0053 127.878 -244.551 GPRESSURE: 3325200 -149.687 -117.875 135.189 -178.365 -239.134 97.6969 64.6555 137.331 -195.924 PRESSAVG: 3325200 -44.673 -25.7502 4.37058 -25.7501 -5.25659 39.3149 4.37065 39.315 57.3474 GPRESSAVG: 3325200 -45.0107 -25.2066 5.38145 -26.2958 -4.40061 38.1511 2.31107 40.3007 57.34 TIMING: 3325200 CPU: 9941.07, 0.00301744/step Wall: 9941.07, 0.00301745/step, 1.40378 hours remaining, 205.289062 MB of memory in use. ENERGY: 3325200 764.8978 2099.3264 1959.0289 115.7234 -205748.1959 17489.1731 0.0000 0.0000 34308.7865 -149011.2598 299.6272 -183320.0463 -148906.9282 299.5899 -229.8092 -194.9148 558070.0872 2.4726 2.6429 PRESSURE: 3325400 -240.004 1.12754 37.41 1.12753 -59.731 -86.3447 37.4098 -86.3441 312.022 GPRESSURE: 3325400 -201.881 23.7905 -4.08708 -14.3197 1.96527 -103.22 54.0086 -58.1813 304.477 PRESSAVG: 3325400 -27.3673 -21.8157 1.9679 -21.8157 -55.8932 25.2357 1.96791 25.2357 137.739 GPRESSAVG: 3325400 -27.7779 -23.4416 2.98275 -19.6241 -55.3312 25.2561 1.20287 26.3242 137.958 TIMING: 3325400 CPU: 9941.68, 0.00305164/step Wall: 9941.68, 0.00305164/step, 1.41952 hours remaining, 205.289062 MB of memory in use. ENERGY: 3325400 794.0827 2092.0363 1947.4808 108.3590 -206086.1366 17734.7379 0.0000 0.0000 34332.6883 -149076.7515 299.8359 -183409.4398 -148986.6163 299.7164 4.0958 34.8537 556537.8602 18.1595 18.2831 PRESSURE: 3325600 -288.018 -145.667 45.1999 -145.667 -206.689 -142.937 45.1993 -142.936 251.155 GPRESSURE: 3325600 -243.24 -184.916 52.4601 -63.8402 -186.618 -44.3107 64.9105 -178.594 298.542 PRESSAVG: 3325600 -43.3437 -74.1438 -33.5473 -74.1437 -20.4964 -19.8418 -33.5473 -19.8419 19.7064 GPRESSAVG: 3325600 -43.399 -70.3932 -34.3712 -75.58 -20.2185 -18.3139 -33.3906 -21.2436 19.2302 TIMING: 3325600 CPU: 9942.29, 0.00304788/step Wall: 9942.29, 0.00304788/step, 1.4176 hours remaining, 205.289062 MB of memory in use. ENERGY: 3325600 744.9181 2079.4914 1937.3336 112.7507 -206068.0473 17635.0580 0.0000 0.0000 34330.2505 -149228.2449 299.8146 -183558.4954 -149136.4042 300.0265 -81.1843 -43.7721 557658.4568 -14.7112 -14.7958 PRESSURE: 3325800 -0.122409 93.7963 -102.276 93.7966 8.13068 -154.154 -102.275 -154.154 2.78472 GPRESSURE: 3325800 18.4847 8.20563 -77.4643 146.335 53.4369 1.59554 -172.656 -231.58 39.5829 PRESSAVG: 3325800 -88.6945 -52.214 -32.3337 -52.2141 -1.06438 -64.1722 -32.3336 -64.1722 47.2309 GPRESSAVG: 3325800 -87.9327 -51.1571 -31.8078 -53.9115 -1.89359 -64.3956 -30.9351 -63.4701 48.0881 TIMING: 3325800 CPU: 9942.91, 0.00306467/step Wall: 9942.91, 0.00306467/step, 1.42524 hours remaining, 205.289062 MB of memory in use. ENERGY: 3325800 724.7384 2126.9908 1960.5812 98.9394 -206090.6477 17605.9402 0.0000 0.0000 34219.2880 -149354.1696 298.8456 -183573.4576 -149262.4326 299.5167 3.5977 37.1682 556494.0319 -14.1760 -13.9127 PRESSURE: 3326000 -87.1967 187.829 -82.608 187.828 20.4874 -5.26564 -82.6063 -5.26429 119.542 GPRESSURE: 3326000 -68.212 123.826 -110.807 230.316 55.2804 18.2464 -106.166 -1.98917 172.618 PRESSAVG: 3326000 -16.223 29.2033 -44.5132 29.2033 -30.8932 -24.3932 -44.5132 -24.3933 2.98823 GPRESSAVG: 3326000 -17.2565 26.1244 -45.5175 32.341 -29.2487 -24.9875 -45.9765 -24.4256 1.90524 TIMING: 3326000 CPU: 9943.51, 0.00302301/step Wall: 9943.51, 0.00302301/step, 1.4057 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: 3326000 732.9623 2088.7556 1934.1114 95.5026 -206091.8770 17790.9270 0.0000 0.0000 33983.2803 -149466.3377 296.7844 -183449.6180 -149366.6580 298.7632 17.6108 53.2287 556933.5566 -14.7093 -14.8666 PRESSURE: 3326200 -270.391 217.858 56.3141 217.859 -200.014 166.408 56.3128 166.406 -288.889 GPRESSURE: 3326200 -230.707 200.892 38.404 236.843 -210.779 231.939 97.1585 126.844 -231.91 PRESSAVG: 3326200 -53.5134 36.2014 2.70263 36.2014 -8.26905 -14.7174 2.7026 -14.7174 37.7368 GPRESSAVG: 3326200 -52.8312 36.8098 0.742024 35.7469 -10.1457 -11.8442 4.05704 -16.2664 39.1526 TIMING: 3326200 CPU: 9944.12, 0.00303584/step Wall: 9944.12, 0.00303584/step, 1.4115 hours remaining, 205.289062 MB of memory in use. ENERGY: 3326200 748.8435 2057.3661 1963.4499 120.2359 -205817.8548 17480.0116 0.0000 0.0000 34039.0685 -149408.8792 297.2717 -183447.9477 -149313.0170 298.4376 -253.0979 -224.4654 557816.5518 -8.0152 -7.9414 PRESSURE: 3326400 194.367 -150.77 -172.924 -150.769 -11.1832 1.32857 -172.923 1.32726 -152.169 GPRESSURE: 3326400 191.445 -103.869 -104.142 -147.563 49.5708 0.245506 -180.852 -71.8542 -122.651 PRESSAVG: 3326400 -0.511545 22.4729 -48.1731 22.4729 -47.0919 -11.3802 -48.1731 -11.3804 40.0648 GPRESSAVG: 3326400 -0.645552 23.2756 -45.9478 21.8128 -47.0462 -12.9137 -48.1857 -12.8377 39.9779 TIMING: 3326400 CPU: 9944.72, 0.00301714/step Wall: 9944.72, 0.00301714/step, 1.40264 hours remaining, 205.289062 MB of memory in use. ENERGY: 3326400 777.7378 2135.0832 1941.9283 103.1761 -206406.7261 17990.9566 0.0000 0.0000 34137.3329 -149320.5111 298.1298 -183457.8440 -149230.5728 298.5487 10.3382 39.4549 556809.0708 -2.5129 -2.5713 PRESSURE: 3326600 51.7708 4.79426 -129.476 4.79389 120.989 189.616 -129.475 189.615 120.006 GPRESSURE: 3326600 81.474 -30.23 -149.853 9.69019 102.772 315.23 -95.8215 64.0646 208.15 PRESSAVG: 3326600 -18.9548 39.3273 -58.1977 39.3272 44.5968 23.0069 -58.1977 23.0068 5.33251 GPRESSAVG: 3326600 -18.7971 38.1268 -59.2832 39.7307 45.3952 22.8251 -58.3348 27.3838 4.62844 TIMING: 3326600 CPU: 9945.33, 0.00303037/step Wall: 9945.33, 0.00303037/step, 1.40862 hours remaining, 205.289062 MB of memory in use. ENERGY: 3326600 747.0019 2114.0963 1951.6689 100.0407 -206274.5666 17919.4866 0.0000 0.0000 34271.3216 -149170.9506 299.3000 -183442.2722 -149072.2917 299.6416 97.5887 130.7986 557457.9582 10.3248 10.4089 PRESSURE: 3326800 50.2951 134.094 -139.174 134.095 -93.6351 8.28291 -139.174 8.28396 -164.639 GPRESSURE: 3326800 76.0059 105.118 -171.402 125.544 -4.0474 30.8722 -174.19 76.8665 -175.668 PRESSAVG: 3326800 80.9131 -15.2464 -65.0271 -15.2462 2.01784 23.9271 -65.0271 23.927 -32.0107 GPRESSAVG: 3326800 80.1839 -13.7618 -64.5687 -14.3803 2.53347 24.3856 -66.9381 21.8908 -31.7967 TIMING: 3326800 CPU: 9945.93, 0.0030389/step Wall: 9945.93, 0.0030389/step, 1.41241 hours remaining, 205.289062 MB of memory in use. ENERGY: 3326800 776.3806 2080.4509 1920.5360 114.1046 -206385.5720 17974.3673 0.0000 0.0000 34300.6599 -149219.0727 299.5562 -183519.7326 -149120.5934 300.1805 -69.3262 -34.5699 558210.5967 16.9734 16.9736 PRESSURE: 3327000 14.8107 59.3307 -213.675 59.3309 -209.786 26.3279 -213.675 26.3287 18.3993 GPRESSURE: 3327000 39.5835 42.1472 -180.848 26.5981 -174.383 -5.49281 -200.731 2.47743 57.7173 PRESSAVG: 3327000 30.1135 47.7306 -82.2596 47.7305 -35.9465 28.7278 -82.2595 28.7277 -58.6141 GPRESSAVG: 3327000 31.2251 47.6046 -81.5963 45.9041 -36.1423 27.9562 -79.3805 28.5146 -59.309 TIMING: 3327000 CPU: 9946.54, 0.00304961/step Wall: 9946.54, 0.00304961/step, 1.41722 hours remaining, 205.289062 MB of memory in use. ENERGY: 3327000 721.8248 2120.6643 1963.7056 116.1085 -205953.4382 17629.3925 0.0000 0.0000 34241.0285 -149160.7139 299.0354 -183401.7425 -149070.0424 299.3214 -58.8587 -25.6940 558564.1939 -21.4823 -21.4087 PRESSURE: 3327200 -148.382 -138.611 0.12747 -138.612 -193.909 -74.0053 0.127673 -74.0065 -61.4016 GPRESSURE: 3327200 -37.1255 -195.38 -31.1637 -90.6955 -226.279 65.0028 9.29573 -122.977 -45.3789 PRESSAVG: 3327200 17.4121 24.8625 -21.8513 24.8625 1.03038 -67.8662 -21.8513 -67.8663 52.569 GPRESSAVG: 3327200 17.429 25.9278 -22.2539 24.8672 0.113532 -65.8022 -19.6739 -66.3616 52.4902 TIMING: 3327200 CPU: 9947.15, 0.00302872/step Wall: 9947.15, 0.00302872/step, 1.40734 hours remaining, 205.289062 MB of memory in use. ENERGY: 3327200 747.7031 2095.2192 1952.8548 117.4693 -206119.0371 17765.4040 0.0000 0.0000 34137.4709 -149302.9158 298.1310 -183440.3867 -149213.6204 299.7800 -134.5644 -102.9280 558628.0456 23.6705 23.3442 PRESSURE: 3327400 -326.264 36.6797 123.327 36.6811 -135.338 -18.9729 123.328 -18.9711 -163.011 GPRESSURE: 3327400 -297.381 78.0557 155.408 33.1001 -167.174 -33.5331 145.958 2.77279 -72.3584 PRESSAVG: 3327400 -93.5094 10.3524 21.4354 10.3523 -17.6759 3.4738 21.4355 3.47389 114.95 GPRESSAVG: 3327400 -93.8783 8.90041 21.2734 10.8053 -17.2621 0.712035 18.8561 2.97994 114.895 TIMING: 3327400 CPU: 9947.75, 0.00301368/step Wall: 9947.75, 0.00301368/step, 1.40019 hours remaining, 205.289062 MB of memory in use. ENERGY: 3327400 784.0703 2076.2707 1918.4514 112.9707 -206147.9976 17633.1324 0.0000 0.0000 34297.9588 -149325.1432 299.5326 -183623.1020 -149238.8660 298.8495 -208.2044 -178.9711 557855.7029 1.2548 1.2516 PRESSURE: 3327600 -123.951 -117.921 -19.0829 -117.92 -173.946 24.278 -19.0833 24.2779 -189.086 GPRESSURE: 3327600 -99.0984 -161.057 -8.88127 -112.638 -154.166 -1.09085 0.527332 -32.0705 -129.334 PRESSAVG: 3327600 18.2927 -28.169 -10.5309 -28.169 -69.3076 -22.7655 -10.5309 -22.7655 65.7868 GPRESSAVG: 3327600 17.4526 -29.134 -10.9255 -26.8675 -68.6853 -20.6114 -9.43945 -23.4656 66.373 TIMING: 3327600 CPU: 9948.36, 0.00302283/step Wall: 9948.36, 0.00302283/step, 1.40427 hours remaining, 205.289062 MB of memory in use. ENERGY: 3327600 790.9705 2054.9078 1913.8353 111.3858 -206256.1813 17828.5484 0.0000 0.0000 34131.7733 -149424.7601 298.0813 -183556.5334 -149329.1743 298.3063 -162.3277 -127.5329 558441.0459 4.9240 5.0467 PRESSURE: 3327800 104.961 -16.2101 -64.872 -16.2097 -130.689 -64.9305 -64.8717 -64.9317 158.413 GPRESSURE: 3327800 202.143 18.0318 -131.486 -33.5801 -122.846 -76.5723 -2.20249 -37.0876 167.086 PRESSAVG: 3327800 42.1664 -0.0580864 14.5808 -0.0581416 6.81711 -30.3595 14.5808 -30.3594 -5.06187 GPRESSAVG: 3327800 43.3992 0.693804 16.2819 0.268094 6.23333 -33.3497 12.4618 -27.8295 -5.17027 TIMING: 3327800 CPU: 9948.96, 0.00298871/step Wall: 9948.96, 0.00298871/step, 1.38826 hours remaining, 205.289062 MB of memory in use. ENERGY: 3327800 724.9389 2060.7585 1908.5497 128.8173 -206604.2009 18040.9514 0.0000 0.0000 34134.3601 -149605.8251 298.1039 -183740.1852 -149509.2434 297.8530 44.2286 82.1276 558586.1127 14.6406 14.8207 PRESSURE: 3328000 120.677 5.72284 -3.77395 5.7213 -84.3489 29.2502 -3.77308 29.249 18.3703 GPRESSURE: 3328000 191.999 81.5176 -0.168509 -48.0382 -80.5539 -8.23227 7.36815 39.7397 38.2093 PRESSAVG: 3328000 18.4275 -31.4778 -3.64148 -31.4778 -0.859786 -18.2811 -3.64147 -18.2812 -3.41032 GPRESSAVG: 3328000 17.7658 -32.4403 -5.11392 -33.7131 -0.695944 -18.9059 -2.71898 -19.649 -3.28236 TIMING: 3328000 CPU: 9949.55, 0.00298795/step Wall: 9949.55, 0.00298795/step, 1.38774 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: 3328000 712.4617 2094.5765 1921.7486 122.5228 -206479.9142 18090.2249 0.0000 0.0000 34038.5510 -149499.8286 297.2671 -183538.3796 -149402.0030 297.6561 18.2328 49.8849 557211.2760 4.7191 4.5958 PRESSURE: 3328200 34.2167 0.173791 6.27055 0.17276 -132.103 23.2188 6.27069 23.22 -437.96 GPRESSURE: 3328200 16.7459 68.5279 -7.86853 -27.1185 -28.1865 -107.352 38.9908 40.5293 -426.062 PRESSAVG: 3328200 -26.3814 43.4334 8.65227 43.4333 76.5157 -23.0939 8.65234 -23.0938 -39.0862 GPRESSAVG: 3328200 -25.706 44.5691 8.30066 44.5589 76.2761 -21.5405 9.37055 -23.188 -39.173 TIMING: 3328200 CPU: 9950.15, 0.0029967/step Wall: 9950.15, 0.0029967/step, 1.39164 hours remaining, 205.289062 MB of memory in use. ENERGY: 3328200 716.3638 2042.6649 1925.3247 110.4574 -205961.2861 17471.4538 0.0000 0.0000 34163.1771 -149531.8444 298.3555 -183695.0215 -149438.7999 298.1011 -178.6157 -145.8341 557869.2903 3.6827 3.7990 LDB: ============= START OF LOAD BALANCING ============== 9953.58 LDB: ============== END OF LOAD BALANCING =============== 9953.58 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9953.58 LDB: ============= START OF LOAD BALANCING ============== 9953.89 LDB: Largest compute 4819 load 0.027672 is 23.4% of average load 0.118017 LDB: Average compute 0.001732 is 1.5% of average load 0.118017 LDB: TIME 9953.89 LOAD: AVG 0.118017 MAX 0.214692 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 9953.89 LOAD: AVG 0.118017 MAX 0.214692 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: TIME 9953.89 LOAD: AVG 0.118017 MAX 0.214692 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9953.89 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9953.9 PRESSURE: 3328400 -107.786 -160.041 -108.817 -160.043 285.123 100.26 -108.817 100.257 147.925 GPRESSURE: 3328400 -76.1372 -105.636 -57.8664 -237.506 302.447 97.4615 -112.893 147.96 201.681 PRESSAVG: 3328400 26.7923 22.8002 -69.2655 22.8001 11.7151 77.4943 -69.2655 77.4944 -75.8441 GPRESSAVG: 3328400 26.4368 25.4979 -68.7082 21.4462 12.4978 78.7474 -69.2416 76.8798 -75.7364 TIMING: 3328400 CPU: 9950.77, 0.00307032/step Wall: 9950.77, 0.00307032/step, 1.42565 hours remaining, 205.742188 MB of memory in use. ENERGY: 3328400 755.8614 2124.4958 1944.7466 120.3868 -206643.5785 18138.1791 0.0000 0.0000 34133.6562 -149426.2526 298.0977 -183559.9088 -149335.6502 297.8693 108.4205 142.6636 556702.6515 -12.4456 -12.2672 PRESSURE: 3328600 -34.9025 125.911 -14.3355 125.911 -155.644 98.6305 -14.335 98.6305 138.529 GPRESSURE: 3328600 -51.3555 151.11 -51.0478 160.538 -55.9664 80.0636 20.7332 52.5908 165.059 PRESSAVG: 3328600 -27.3357 23.6406 25.5724 23.6406 -2.89581 34.8309 25.5724 34.8308 53.5374 GPRESSAVG: 3328600 -27.7191 21.6874 25.1747 23.3689 -2.92144 35.5991 24.4431 33.2716 54.0867 TIMING: 3328600 CPU: 9951.37, 0.00301873/step Wall: 9951.37, 0.00301873/step, 1.40153 hours remaining, 205.945312 MB of memory in use. ENERGY: 3328600 767.5962 2084.4470 1933.0723 118.9687 -206137.9701 17785.8096 0.0000 0.0000 34188.2345 -149259.8418 298.5744 -183448.0763 -149160.5663 298.6657 -17.3390 19.2456 557504.4628 7.7686 7.8154 PRESSURE: 3328800 -252.154 79.5797 -7.1162 79.5799 -238.166 39.6931 -7.11641 39.6931 -42.3056 GPRESSURE: 3328800 -276.655 100.286 -22.9502 32.0414 -203.144 96.3372 -52.2403 101.106 41.2406 PRESSAVG: 3328800 -15.8849 -8.93425 -29.3824 -8.93429 -6.39884 16.6416 -29.3824 16.6417 0.86524 GPRESSAVG: 3328800 -15.9935 -8.60084 -27.4726 -8.87636 -7.79168 17.287 -29.9809 18.1514 2.15463 TIMING: 3328800 CPU: 9951.98, 0.0030263/step Wall: 9951.98, 0.0030263/step, 1.40488 hours remaining, 205.945312 MB of memory in use. ENERGY: 3328800 776.5806 2040.6652 1969.1996 115.6597 -205821.2091 17526.0861 0.0000 0.0000 34195.1939 -149197.8239 298.6351 -183393.0178 -149106.0630 298.9065 -177.5419 -146.1861 556333.9947 -7.1395 -7.2102 PRESSURE: 3329000 -63.5622 -9.30717 52.5232 -9.30715 152.408 -44.561 52.5233 -44.5614 -34.6045 GPRESSURE: 3329000 -62.6774 -0.498852 -0.566725 -11.148 191.329 -126.183 83.5066 42.8845 34.4757 PRESSAVG: 3329000 -20.7315 44.7803 -32.1908 44.7804 -2.44578 29.026 -32.1909 29.0259 24.481 GPRESSAVG: 3329000 -19.9506 45.2294 -31.3561 43.6064 -1.59063 26.4912 -30.2785 29.2737 23.5565 TIMING: 3329000 CPU: 9952.58, 0.00303583/step Wall: 9952.58, 0.00303583/step, 1.40913 hours remaining, 205.945312 MB of memory in use. ENERGY: 3329000 771.7210 2046.3214 1968.1024 124.0726 -206360.7978 17851.2522 0.0000 0.0000 34245.0160 -149354.3122 299.0702 -183599.3282 -149257.7866 299.8691 18.0806 54.3759 556718.6173 0.4346 0.6718 PRESSURE: 3329200 113.768 120.789 -225.463 120.789 91.8381 5.96645 -225.463 5.96411 -7.26156 GPRESSURE: 3329200 124.753 180.789 -160.561 133.559 131.822 -20.8564 -268.488 -14.3261 47.9957 PRESSAVG: 3329200 34.8014 24.787 -63.2487 24.7869 -24.9281 -24.7654 -63.2487 -24.7653 17.8933 GPRESSAVG: 3329200 33.8403 24.2361 -65.3397 28.0576 -24.8721 -25.7301 -65.1775 -22.4827 18.8984 TIMING: 3329200 CPU: 9953.19, 0.00302113/step Wall: 9953.19, 0.00302113/step, 1.40214 hours remaining, 205.945312 MB of memory in use. ENERGY: 3329200 696.3063 2133.4620 1920.9778 135.1411 -206184.7066 17748.4815 0.0000 0.0000 34165.1081 -149385.2298 298.3724 -183550.3379 -149291.0672 298.9967 66.1148 101.5234 556564.8380 9.2555 9.2889 PRESSURE: 3329400 -149.214 -120.051 66.6045 -120.051 127.777 26.7005 66.6051 26.7002 -397.378 GPRESSURE: 3329400 -75.9229 -143.749 37.1183 -85.7083 86.6008 7.98917 128.49 42.5743 -313.407 PRESSAVG: 3329400 0.946404 -15.614 -95.9491 -15.614 31.3934 76.0208 -95.9492 76.0208 -14.4213 GPRESSAVG: 3329400 1.97616 -16.1885 -98.6879 -16.8267 31.5728 75.9495 -93.2747 74.8669 -15.1385 TIMING: 3329400 CPU: 9953.79, 0.0030128/step Wall: 9953.79, 0.0030128/step, 1.39811 hours remaining, 205.945312 MB of memory in use. ENERGY: 3329400 714.6868 2111.1957 1925.6312 119.2226 -206057.5742 17552.3849 0.0000 0.0000 34311.3518 -149323.1012 299.6496 -183634.4530 -149228.7165 299.1295 -139.6049 -100.9096 557576.6366 5.9728 6.1368 PRESSURE: 3329600 -133.933 41.0572 118.404 41.057 -31.5652 -163.362 118.403 -163.361 53.5 GPRESSURE: 3329600 -59.8833 -16.5918 174.861 84.3099 31.7587 -77.83 138.043 -210.509 9.96473 PRESSAVG: 3329600 40.2566 20.4906 33.7645 20.4906 -38.5555 29.4258 33.7644 29.426 -32.457 GPRESSAVG: 3329600 39.786 22.4108 34.9594 20.9025 -38.0806 30.5084 33.0939 30.1307 -32.7539 TIMING: 3329600 CPU: 9954.39, 0.00299948/step Wall: 9954.39, 0.00299948/step, 1.39176 hours remaining, 205.945312 MB of memory in use. ENERGY: 3329600 690.3934 2082.5040 1945.3858 116.9575 -205780.2623 17565.5550 0.0000 0.0000 34240.7141 -149138.7525 299.0327 -183379.4666 -149038.0702 298.8260 -37.3327 -6.0533 557272.2325 -10.2520 -10.3495 PRESSURE: 3329800 -329.86 -237.417 -104.355 -237.418 -124.968 40.9039 -104.357 40.9045 -90.1738 GPRESSURE: 3329800 -251.85 -234.354 -63.977 -221.239 -118.781 24.7531 -133.804 72.0808 -75.318 PRESSAVG: 3329800 -19.3249 -42.2947 -8.70802 -42.2946 -23.2268 -48.5824 -8.70809 -48.5825 -14.4782 GPRESSAVG: 3329800 -19.4556 -43.634 -8.92943 -42.6012 -23.9456 -48.8457 -10.2639 -49.2708 -13.6878 TIMING: 3329800 CPU: 9954.99, 0.00300215/step Wall: 9954.99, 0.00300215/step, 1.39283 hours remaining, 205.945312 MB of memory in use. ENERGY: 3329800 746.7588 2094.7322 1921.0949 107.1507 -205927.9434 17454.8093 0.0000 0.0000 34440.7869 -149162.6108 300.7800 -183603.3976 -149063.8086 299.0433 -181.6671 -148.6496 557811.1134 -19.0100 -19.0297 PRESSURE: 3330000 149.948 -102.543 -140.204 -102.543 -129.256 -104.992 -140.204 -104.993 53.2263 GPRESSURE: 3330000 179.96 -13.9147 -116.939 -129.691 -52.6266 -100.056 -199.254 -79.7905 42.9925 PRESSAVG: 3330000 -9.33468 -47.0142 -21.5006 -47.0141 -42.6265 -6.75384 -21.5006 -6.75395 34.988 GPRESSAVG: 3330000 -8.92863 -46.0045 -21.0519 -47.8496 -42.02 -3.33752 -20.8344 -7.8447 34.0044 TIMING: 3330000 CPU: 9955.59, 0.00301654/step Wall: 9955.59, 0.00301654/step, 1.39934 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: 3330000 704.1204 2103.1481 1935.0340 111.0331 -206103.6918 17745.1045 0.0000 0.0000 34473.3727 -149031.8789 301.0645 -183505.2516 -148937.0512 299.8030 24.6394 56.7755 556879.3353 -5.6577 -5.6481 PRESSURE: 3330200 -190.841 10.3101 117.013 10.3098 27.6429 8.57535 117.014 8.57237 75.3155 GPRESSURE: 3330200 -161.712 -112.14 172.66 37.8499 60.7313 -34.3965 152.41 35.7935 108.062 PRESSAVG: 3330200 -3.36414 -14.2104 -11.2669 -14.2105 31.3684 -37.2809 -11.267 -37.281 -67.7643 GPRESSAVG: 3330200 -4.42732 -16.6259 -9.51689 -13.9259 32.1163 -40.9557 -11.4463 -35.419 -67.9039 TIMING: 3330200 CPU: 9956.19, 0.00300779/step Wall: 9956.19, 0.00300779/step, 1.39511 hours remaining, 205.945312 MB of memory in use. ENERGY: 3330200 739.8686 2068.6918 1924.2715 115.7739 -205843.9416 17664.0855 0.0000 0.0000 34206.1940 -149125.0563 298.7312 -183331.2503 -149031.6312 299.7987 -29.2943 2.3604 557827.2423 -13.2534 -13.4050 PRESSURE: 3330400 123.1 -46.6398 33.7144 -46.6401 153.178 -156.399 33.7129 -156.399 126.661 GPRESSURE: 3330400 191.506 -32.3006 96.7093 -80.2096 199.326 -198.961 -43.6819 -111.954 117.651 PRESSAVG: 3330400 -9.4553 35.9922 44.247 35.9922 -4.9468 0.916264 44.247 0.916282 -9.86401 GPRESSAVG: 3330400 -9.12483 36.5758 42.0772 35.1285 -5.65477 -0.586013 44.7098 2.10626 -9.79638 TIMING: 3330400 CPU: 9956.8, 0.00301906/step Wall: 9956.8, 0.00301906/step, 1.40017 hours remaining, 205.945312 MB of memory in use. ENERGY: 3330400 709.9503 2100.3468 1917.0171 103.4325 -205814.4681 17914.8044 0.0000 0.0000 34119.6001 -148949.3168 297.9750 -183068.9170 -148859.3592 299.2554 134.3129 169.4944 558238.4490 -8.0887 -8.1920 PRESSURE: 3330600 -126.095 -116.176 -25.2498 -116.175 134.965 -79.5487 -25.2495 -79.5483 -35.948 GPRESSURE: 3330600 -23.7106 -83.1048 -25.097 -88.8533 96.9396 -78.0928 90.5193 -91.4229 -4.12618 PRESSAVG: 3330600 18.1118 23.6835 -38.7291 23.6834 -19.2726 -42.642 -38.7291 -42.642 -1.68669 GPRESSAVG: 3330600 18.6189 23.4429 -37.3282 26.4192 -19.6638 -39.6249 -38.7952 -44.8361 -2.08616 TIMING: 3330600 CPU: 9957.4, 0.0030083/step Wall: 9957.4, 0.0030083/step, 1.39501 hours remaining, 205.945312 MB of memory in use. ENERGY: 3330600 740.5354 2034.7375 1931.3942 113.9059 -205941.9164 17858.6744 0.0000 0.0000 34360.3772 -148902.2919 300.0777 -183262.6691 -148803.6242 299.1837 -9.0263 23.0343 558346.3372 -0.9491 -1.0437 PRESSURE: 3330800 62.9894 -12.9481 -47.6207 -12.9496 -444.403 -30.3733 -47.6199 -30.3746 -105.6 GPRESSURE: 3330800 105.636 -34.0906 -109.39 6.91388 -429.161 -82.6457 -50.3526 -127.705 -61.5956 PRESSAVG: 3330800 27.3559 13.8914 -8.2013 13.8914 0.332215 -23.5529 -8.2013 -23.5529 -1.44409 GPRESSAVG: 3330800 27.1109 13.5675 -5.83307 13.0175 1.17947 -22.4693 -9.72359 -23.9025 -1.44833 TIMING: 3330800 CPU: 9958, 0.00301531/step Wall: 9958, 0.00301531/step, 1.3981 hours remaining, 205.945312 MB of memory in use. ENERGY: 3330800 748.4132 2067.4017 1946.9850 105.2025 -205812.6704 17565.0942 0.0000 0.0000 34247.6326 -149131.9413 299.0931 -183379.5739 -149033.7715 299.2020 -162.3377 -128.3736 558452.7589 8.7480 8.9473 PRESSURE: 3331000 -124.278 54.415 -113.506 54.4151 -148.116 8.0373 -113.507 8.03822 -263.728 GPRESSURE: 3331000 -98.2321 102.159 -142.16 85.1175 -138.196 -51.907 -130.48 -11.4946 -206.028 PRESSAVG: 3331000 -16.3484 -4.99286 -20.0976 -4.99288 -6.35421 -30.8399 -20.0977 -30.8399 4.00377 GPRESSAVG: 3331000 -18.1834 -3.08908 -21.0946 -5.41233 -5.9159 -33.564 -20.1513 -27.5445 5.33555 TIMING: 3331000 CPU: 9958.61, 0.00301832/step Wall: 9958.61, 0.00301832/step, 1.39932 hours remaining, 205.945312 MB of memory in use. ENERGY: 3331000 761.0449 2061.5346 1937.6309 116.9074 -206015.5785 17730.0578 0.0000 0.0000 34320.9853 -149087.4177 299.7337 -183408.4029 -148989.1877 298.4249 -178.7074 -147.4853 559698.3051 -6.2329 -6.2546 PRESSURE: 3331200 157.629 -16.0957 37.54 -16.0959 140.275 33.198 37.539 33.2 129.534 GPRESSURE: 3331200 232.479 -75.9932 110.7 -14.9031 154.831 -36.0129 6.84211 82.2496 131.663 PRESSAVG: 3331200 47.5897 18.9095 45.7347 18.9094 27.3615 -11.2897 45.7346 -11.2898 -54.8607 GPRESSAVG: 3331200 49.4698 16.5364 44.5051 18.8471 25.6834 -8.9503 45.4572 -14.2823 -55.3007 TIMING: 3331200 CPU: 9959.21, 0.00302168/step Wall: 9959.21, 0.00302168/step, 1.40072 hours remaining, 205.945312 MB of memory in use. ENERGY: 3331200 757.2663 2029.9300 1916.6212 113.3253 -206209.4153 18033.9753 0.0000 0.0000 34211.5534 -149146.7438 298.7780 -183358.2972 -149046.4283 299.2143 142.4792 172.9912 555781.2049 6.6968 6.6175 PRESSURE: 3331400 -146.448 122.483 168.834 122.484 -90.007 190.097 168.835 190.096 -83.2114 GPRESSURE: 3331400 -78.1613 141.657 114.808 46.2067 -71.9962 70.1434 153.76 203.551 -63.0582 PRESSAVG: 3331400 15.9937 -7.36904 32.0699 -7.36904 3.86242 -5.48938 32.0699 -5.48933 22.3369 GPRESSAVG: 3331400 15.4587 -6.57963 32.0198 -8.84147 4.70203 -6.9821 33.3145 -3.74196 22.8479 TIMING: 3331400 CPU: 9959.82, 0.00304004/step Wall: 9959.82, 0.00304004/step, 1.40906 hours remaining, 205.945312 MB of memory in use. ENERGY: 3331400 773.3433 2111.9937 1916.8929 106.9861 -205923.7096 17631.5279 0.0000 0.0000 34284.7573 -149098.2084 299.4173 -183382.9658 -149005.9707 299.9885 -106.5556 -71.0719 556338.7469 14.0643 14.3362 PRESSURE: 3331600 68.9587 -34.3764 -99.2131 -34.3787 -138.552 -74.4485 -99.2144 -74.4482 236.88 GPRESSURE: 3331600 108.857 34.1914 2.86333 -42.7391 -84.9939 -63.941 -133.646 -124.064 221.319 PRESSAVG: 3331600 15.5787 7.84518 11.0865 7.84521 -68.5602 46.9283 11.0865 46.9284 34.6974 GPRESSAVG: 3331600 14.473 8.46931 10.7818 9.27376 -68.8556 48.8329 11.418 43.8856 35.1132 TIMING: 3331600 CPU: 9960.42, 0.0030088/step Wall: 9960.42, 0.0030088/step, 1.39441 hours remaining, 205.945312 MB of memory in use. ENERGY: 3331600 703.9989 2064.1122 1956.0225 108.9384 -205771.5231 17655.7357 0.0000 0.0000 34193.6166 -149089.0988 298.6214 -183282.7154 -148989.1183 299.9831 55.7622 81.7273 555189.0793 -6.0947 -6.4231 PRESSURE: 3331800 57.8052 185.373 -172.909 185.374 -48.4118 95.0262 -172.908 95.0249 24.1428 GPRESSURE: 3331800 61.979 82.3768 -206.114 253.101 -12.7417 104.622 -68.6903 130.95 85.05 PRESSAVG: 3331800 -17.2746 35.4532 15.5059 35.4531 -14.9283 12.5275 15.5059 12.5274 18.1561 GPRESSAVG: 3331800 -15.3248 35.106 15.6734 34.053 -15.2662 10.7651 16.0805 14.3222 17.2287 TIMING: 3331800 CPU: 9961.03, 0.00302727/step Wall: 9961.03, 0.00302727/step, 1.40281 hours remaining, 205.945312 MB of memory in use. ENERGY: 3331800 735.4049 2093.1513 1964.4429 111.1811 -206135.1151 17850.7009 0.0000 0.0000 34192.1773 -149188.0565 298.6088 -183380.2338 -149098.3198 299.1967 11.1788 44.7624 556352.6889 -4.6823 -4.4541 PRESSURE: 3332000 30.0283 -95.9667 -53.3041 -95.9669 124.92 66.6466 -53.3028 66.6461 174.343 GPRESSURE: 3332000 76.4766 -117.513 -48.2205 -103.435 130.538 98.3816 -29.3649 42.7696 211.182 PRESSAVG: 3332000 -42.2308 19.9268 -26.4687 19.9269 28.3589 -6.61548 -26.4687 -6.61553 28.9117 GPRESSAVG: 3332000 -42.9249 18.4063 -25.7976 19.8335 28.6241 -5.6998 -26.317 -5.19743 29.5835 TIMING: 3332000 CPU: 9961.63, 0.00300282/step Wall: 9961.63, 0.00300282/step, 1.39131 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: 3332000 744.4899 2100.7730 1942.0553 113.8539 -206580.1988 18078.8305 0.0000 0.0000 34354.5505 -149245.6458 300.0268 -183600.1963 -149149.6025 298.6524 109.7636 139.3989 556171.2662 5.0133 5.0942 PRESSURE: 3332200 297.168 53.7876 -17.3769 53.7872 412.005 -89.9008 -17.3785 -89.8991 21.417 GPRESSURE: 3332200 324.531 -7.83964 -53.381 137.226 396.122 -118.879 -23.2014 -91.9143 108.825 PRESSAVG: 3332200 -5.55336 -23.0136 -39.1635 -23.0136 34.8503 -36.5112 -39.1635 -36.5111 -62.8651 GPRESSAVG: 3332200 -5.66284 -22.6623 -39.9234 -21.2522 34.7787 -36.8069 -41.9749 -37.7577 -62.7543 TIMING: 3332200 CPU: 9962.23, 0.00301105/step Wall: 9962.23, 0.00301105/step, 1.39495 hours remaining, 205.945312 MB of memory in use. ENERGY: 3332200 782.1372 2132.9638 1951.7810 107.6207 -206541.5737 18108.7516 0.0000 0.0000 34193.1454 -149265.1740 298.6172 -183458.3194 -149179.8511 298.9071 243.5301 276.4924 556760.5863 -11.1894 -11.2128 LDB: ============= START OF LOAD BALANCING ============== 9965.66 LDB: ============== END OF LOAD BALANCING =============== 9965.66 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9965.66 LDB: ============= START OF LOAD BALANCING ============== 9965.96 LDB: Largest compute 4819 load 0.028969 is 24.5% of average load 0.118028 LDB: Average compute 0.001738 is 1.5% of average load 0.118028 LDB: TIME 9965.97 LOAD: AVG 0.118028 MAX 0.210275 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 9965.97 LOAD: AVG 0.118028 MAX 0.210275 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.582 MB LDB: TIME 9965.97 LOAD: AVG 0.118028 MAX 0.210275 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9965.97 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9965.97 PRESSURE: 3332400 -12.7954 41.1652 17.3451 41.1649 -74.1286 28.2389 17.3465 28.2389 -19.5833 GPRESSURE: 3332400 28.3031 15.259 94.0554 41.81 -92.038 43.2423 -56.8757 -40.8589 43.8869 PRESSAVG: 3332400 -59.7733 -15.2671 -12.3254 -15.2671 31.1071 33.2168 -12.3255 33.2168 26.456 GPRESSAVG: 3332400 -60.3799 -15.1088 -12.586 -17.0572 31.9024 32.7104 -10.0706 32.9073 25.9888 TIMING: 3332400 CPU: 9962.84, 0.0030641/step Wall: 9962.84, 0.0030641/step, 1.41936 hours remaining, 205.800781 MB of memory in use. ENERGY: 3332400 717.8532 2066.6290 1958.9873 106.8245 -205871.0480 17649.1222 0.0000 0.0000 34132.1703 -149239.4614 298.0847 -183371.6317 -149143.3211 298.9724 -35.5025 -6.6160 556368.7673 -0.7368 -0.8296 PRESSURE: 3332600 -98.97 8.33476 -166.493 8.33497 -38.5594 -77.5154 -166.493 -77.5148 136.262 GPRESSURE: 3332600 -106.123 61.3684 -99.1975 -102.999 23.5769 -65.6624 -211.728 -79.678 180.556 PRESSAVG: 3332600 -78.7604 48.1426 -29.1458 48.1425 -23.2313 7.82013 -29.1458 7.82015 62.4061 GPRESSAVG: 3332600 -78.2796 49.7979 -27.7197 48.7882 -23.0953 7.99177 -30.6945 7.81205 61.8717 TIMING: 3332600 CPU: 9963.45, 0.00301723/step Wall: 9963.45, 0.00301723/step, 1.39748 hours remaining, 205.800781 MB of memory in use. ENERGY: 3332600 728.9115 2035.4515 1946.5051 116.7423 -206328.6799 17999.5693 0.0000 0.0000 34387.2488 -149114.2513 300.3124 -183501.5001 -149024.9829 298.9596 -0.4226 32.6697 558756.0128 -13.1952 -13.1677 PRESSURE: 3332800 5.18245 -0.826452 -8.3293 -0.827399 78.7233 -117.38 -8.32742 -117.378 176.907 GPRESSURE: 3332800 57.2479 16.7558 -39.243 -56.0305 127.699 -101.146 42.9767 -119.716 173.03 PRESSAVG: 3332800 -50.941 -8.38321 -29.9254 -8.38318 42.913 -20.5835 -29.9253 -20.5835 -15.4335 GPRESSAVG: 3332800 -50.8644 -9.67653 -32.8568 -6.68611 42.5517 -21.9411 -28.9742 -22.2143 -14.9847 TIMING: 3332800 CPU: 9964.05, 0.00299728/step Wall: 9964.05, 0.00299728/step, 1.38808 hours remaining, 205.800781 MB of memory in use. ENERGY: 3332800 772.3934 2078.4950 1932.0638 119.8088 -206229.6708 17986.2303 0.0000 0.0000 34251.3459 -149089.3336 299.1255 -183340.6795 -148995.9838 299.6682 86.9375 119.3255 558307.4491 -7.8205 -7.7658 PRESSURE: 3333000 -1.10623 -22.1798 -52.5732 -22.1793 34.2789 -147.261 -52.5724 -147.26 336.189 GPRESSURE: 3333000 77.1264 66.4744 -16.7045 -34.529 50.4048 -30.0147 -97.6794 -156.607 342.148 PRESSAVG: 3333000 53.6423 11.6313 -51.4785 11.6314 -25.5871 -8.57869 -51.4784 -8.5786 6.32797 GPRESSAVG: 3333000 53.7135 12.6172 -48.7811 10.0759 -25.0702 -8.95411 -51.4338 -6.24582 6.10002 TIMING: 3333000 CPU: 9964.65, 0.00301615/step Wall: 9964.65, 0.00301615/step, 1.39664 hours remaining, 205.800781 MB of memory in use. ENERGY: 3333000 728.7571 2097.5814 1925.5508 111.4433 -206330.4863 18088.5474 0.0000 0.0000 34348.8861 -149029.7202 299.9774 -183378.6063 -148930.1617 299.6524 123.1204 156.5598 558777.4042 11.4611 11.5811 PRESSURE: 3333200 90.0874 -152.78 -73.952 -152.779 -10.7805 111.301 -73.9523 111.302 108.68 GPRESSURE: 3333200 105.989 -169.913 -79.5149 -77.8478 -2.78526 71.7644 -87.4234 142.906 181.411 PRESSAVG: 3333200 -9.46403 17.6106 0.41119 17.6106 6.62235 -13.7624 0.411208 -13.7623 -36.0934 GPRESSAVG: 3333200 -9.39145 20.3667 0.453159 16.8566 5.9167 -12.9431 0.565897 -15.2144 -34.4997 TIMING: 3333200 CPU: 9965.25, 0.00302253/step Wall: 9965.25, 0.00302253/step, 1.39943 hours remaining, 205.800781 MB of memory in use. ENERGY: 3333200 744.7541 2091.9740 1954.6436 110.5688 -206468.9258 18036.0361 0.0000 0.0000 34379.1130 -149151.8362 300.2413 -183530.9492 -149060.0301 300.2714 62.6623 94.8714 557834.3259 -12.9784 -12.6582 PRESSURE: 3333400 -55.1147 -73.2606 -83.0379 -73.2619 -64.3318 176.642 -83.0388 176.644 -288.557 GPRESSURE: 3333400 -47.8281 -95.7829 -42.6889 -45.1966 -61.381 170.463 -67.1721 159.481 -200.318 PRESSAVG: 3333400 12.3407 45.2725 -5.13729 45.2725 -4.19801 62.8164 -5.13722 62.8165 23.2283 GPRESSAVG: 3333400 12.0294 42.5154 -6.67905 46.0891 -3.44562 63.8019 -5.80915 63.3029 22.8752 TIMING: 3333400 CPU: 9965.86, 0.00301702/step Wall: 9965.86, 0.00301702/step, 1.39671 hours remaining, 205.800781 MB of memory in use. ENERGY: 3333400 776.3272 2098.3086 1923.8981 105.5088 -206110.2930 17745.8811 0.0000 0.0000 34374.7766 -149085.5925 300.2035 -183460.3691 -148988.7287 299.6186 -136.0010 -103.1758 559597.4027 10.4570 10.4863 PRESSURE: 3333600 -74.7031 -218.88 -162.258 -218.879 -19.3338 93.6368 -162.26 93.6365 -27.4995 GPRESSURE: 3333600 -49.8223 -234.688 -81.9482 -187.264 28.5889 80.6505 -158.338 63.219 -6.66726 PRESSAVG: 3333600 -35.8247 49.6744 -4.84963 49.6743 49.85 48.9742 -4.84964 48.9742 28.113 GPRESSAVG: 3333600 -35.0632 50.841 -4.33364 50.7739 49.6431 46.9765 -2.81972 48.5329 27.4114 TIMING: 3333600 CPU: 9966.46, 0.00302556/step Wall: 9966.46, 0.00302556/step, 1.4005 hours remaining, 205.800781 MB of memory in use. ENERGY: 3333600 733.2582 2090.2086 1956.4500 108.4447 -206019.2490 17828.0905 0.0000 0.0000 34275.9933 -149026.8037 299.3408 -183302.7970 -148930.2422 300.8704 -40.5122 -9.3002 557811.3488 14.0461 13.9971 PRESSURE: 3333800 247.152 -55.1072 -92.635 -55.1077 267.55 22.6276 -92.6339 22.6272 96.3948 GPRESSURE: 3333800 279.259 -72.1577 -123.98 35.8081 271.981 31.9989 -60.2287 -35.3712 157.662 PRESSAVG: 3333800 -47.2752 -5.24298 18.5087 -5.243 41.5644 34.5577 18.5088 34.5576 -18.5128 GPRESSAVG: 3333800 -47.0392 -5.9439 18.2956 -5.38246 41.2605 35.7332 16.7656 36.0478 -18.26 TIMING: 3333800 CPU: 9967.06, 0.00301271/step Wall: 9967.06, 0.00301271/step, 1.39438 hours remaining, 205.800781 MB of memory in use. ENERGY: 3333800 721.1813 2100.2362 1929.8211 107.2296 -206534.0508 18239.4866 0.0000 0.0000 34260.2617 -149175.8344 299.2034 -183436.0961 -149077.2328 299.5453 203.6988 236.3007 558145.5756 -8.0746 -8.0129 PRESSURE: 3334000 -168.957 -176.272 71.6179 -176.273 -126.341 27.1418 71.6183 27.1409 -280.154 GPRESSURE: 3334000 -156.22 -95.452 58.1979 -152.622 -129.227 67.4673 91.6195 58.8069 -203.993 PRESSAVG: 3334000 -18.4277 -26.5076 -12.0317 -26.5075 -55.5547 -14.4092 -12.0317 -14.4092 22.2066 GPRESSAVG: 3334000 -19.1428 -25.7436 -11.5798 -27.9139 -54.413 -15.8741 -11.7542 -15.272 22.4491 TIMING: 3334000 CPU: 9967.67, 0.00303533/step Wall: 9967.67, 0.00303533/step, 1.40468 hours remaining, 205.800781 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: 3334000 755.5566 2115.8851 1920.3481 115.9188 -206153.6933 17594.8107 0.0000 0.0000 34370.9686 -149280.2054 300.1702 -183651.1740 -149184.5273 299.0172 -191.8175 -163.1465 557675.4402 -17.2586 -17.0356 PRESSURE: 3334200 -107.933 -106.36 152.357 -106.359 -211.989 147.911 152.357 147.91 7.71222 GPRESSURE: 3334200 -70.4579 -6.79747 91.3894 -82.7012 -151.428 180.279 270.998 175.557 17.2096 PRESSAVG: 3334200 37.0338 8.70091 38.8784 8.70089 -10.3957 24.1725 38.8784 24.1724 4.77428 GPRESSAVG: 3334200 36.8063 7.3676 39.8386 10.4495 -10.9147 25.2922 39.8923 23.8159 5.17594 TIMING: 3334200 CPU: 9968.27, 0.00300622/step Wall: 9968.27, 0.00300622/step, 1.39104 hours remaining, 205.800781 MB of memory in use. ENERGY: 3334200 767.3526 2043.9888 1920.1306 116.2239 -206109.8179 17607.1920 0.0000 0.0000 34352.9810 -149301.9489 300.0131 -183654.9299 -149212.8197 298.6463 -104.0698 -68.2254 556475.6594 10.4708 10.3559 PRESSURE: 3334400 107.518 53.5491 -146.77 53.549 -67.8336 -219.196 -146.769 -219.195 223.751 GPRESSURE: 3334400 116.168 77.7319 -174.504 69.524 -27.057 -283.997 -161.384 -126.879 270.264 PRESSAVG: 3334400 -18.9942 30.671 17.3624 30.6711 7.08973 17.5763 17.3623 17.5763 36.8096 GPRESSAVG: 3334400 -18.1224 31.1623 18.1473 30.0494 7.19161 19.9373 16.1986 16.5722 35.5531 TIMING: 3334400 CPU: 9968.87, 0.00300769/step Wall: 9968.87, 0.00300769/step, 1.39156 hours remaining, 205.800781 MB of memory in use. ENERGY: 3334400 707.2027 2113.2348 1957.1934 110.0347 -206566.3357 18004.4838 0.0000 0.0000 34303.6589 -149370.5273 299.5824 -183674.1863 -149275.7222 298.6274 87.8116 119.7917 558206.2946 8.3017 8.2074 PRESSURE: 3334600 -97.3628 114.585 -17.4096 114.584 -20.4571 57.4261 -17.4096 57.4244 -51.2952 GPRESSURE: 3334600 -40.9702 39.0493 -1.42926 187.068 -26.4585 106.467 -22.9581 68.867 1.59802 PRESSAVG: 3334600 33.972 13.026 8.28466 13.026 26.1332 -39.0596 8.28471 -39.0597 -34.4501 GPRESSAVG: 3334600 34.0759 14.4202 7.77343 11.5879 25.7857 -41.5694 7.58174 -39.0486 -34.2364 TIMING: 3334600 CPU: 9969.48, 0.00300799/step Wall: 9969.48, 0.00300799/step, 1.39153 hours remaining, 205.800781 MB of memory in use. ENERGY: 3334600 741.1352 2106.6090 1935.4116 109.0814 -206193.2319 17703.9520 0.0000 0.0000 34301.7281 -149295.3145 299.5655 -183597.0427 -149200.1082 298.9166 -56.3717 -21.9436 557909.6885 8.5517 8.5417 PRESSURE: 3334800 118.761 25.112 55.8553 25.1119 -146.831 -42.3417 55.8551 -42.3391 -83.3642 GPRESSURE: 3334800 158.622 -10.6084 45.4127 -11.0045 -185.433 -32.6752 92.2811 -39.8278 11.7627 PRESSAVG: 3334800 38.6414 8.03493 41.7299 8.03497 11.1417 -36.3318 41.7299 -36.3316 -19.399 GPRESSAVG: 3334800 38.8972 6.04171 42.8029 7.68036 10.0832 -36.8819 42.6998 -34.4411 -18.3333 TIMING: 3334800 CPU: 9970.09, 0.00305854/step Wall: 9970.09, 0.00305854/step, 1.41474 hours remaining, 205.800781 MB of memory in use. ENERGY: 3334800 716.8198 2125.2893 1934.0506 115.0322 -206007.0744 17689.3625 0.0000 0.0000 33948.7940 -149477.7261 296.4833 -183426.5201 -149384.7019 298.1029 -37.1445 -5.0159 558788.6019 10.1280 10.2157 PRESSURE: 3335000 -10.5153 -113.493 95.2933 -113.496 -96.1376 -63.6116 95.2921 -63.61 283.576 GPRESSURE: 3335000 80.4008 -82.5965 155.791 -124.906 -82.3515 16.9531 181.114 -101.655 285.069 PRESSAVG: 3335000 37.4632 -38.1028 24.3302 -38.1028 41.1659 0.65897 24.3302 0.658974 -34.6895 GPRESSAVG: 3335000 38.0306 -36.1353 21.2674 -38.9313 41.7334 3.92565 24.9725 -1.11271 -36.2991 TIMING: 3335000 CPU: 9970.69, 0.00302062/step Wall: 9970.69, 0.00302062/step, 1.39704 hours remaining, 205.800781 MB of memory in use. ENERGY: 3335000 743.0788 2059.7499 1962.8253 127.9239 -206429.7907 18008.0336 0.0000 0.0000 34027.5708 -149500.6084 297.1712 -183528.1792 -149410.5337 298.0086 58.9744 94.3729 558318.9903 14.6465 14.4883 PRESSURE: 3335200 84.8362 -147.844 -93.5823 -147.845 374.224 -92.2463 -93.5818 -92.2468 160.788 GPRESSURE: 3335200 93.4409 -144.656 16.7358 -77.8003 421.849 -122.931 -134.067 -124.282 201.03 PRESSAVG: 3335200 2.90204 -39.2699 -26.7968 -39.27 -19.9594 43.1148 -26.7968 43.1147 -18.9249 GPRESSAVG: 3335200 2.45669 -41.9036 -24.6312 -36.6814 -20.436 39.3078 -29.8059 43.697 -17.9472 TIMING: 3335200 CPU: 9971.3, 0.00305899/step Wall: 9971.3, 0.00305899/step, 1.41461 hours remaining, 205.800781 MB of memory in use. ENERGY: 3335200 738.3337 2086.6356 1975.4997 129.0512 -206565.1758 17993.0521 0.0000 0.0000 34117.2883 -149525.3152 297.9548 -183642.6035 -149434.3949 298.6003 206.6162 238.7733 557151.5047 -11.9941 -11.9755 PRESSURE: 3335400 -7.92815 25.9856 44.4354 25.9856 211.015 33.2036 44.4369 33.2053 -24.7035 GPRESSURE: 3335400 40.9973 -24.7855 32.3004 76.6967 189.262 69.8039 10.0166 78.4164 44.1019 PRESSAVG: 3335400 -40.1801 52.287 -10.7706 52.287 -5.78159 19.3235 -10.7705 19.3235 94.6462 GPRESSAVG: 3335400 -40.793 52.0634 -12.1803 52.3682 -5.617 21.1107 -8.23431 21.2888 95.2117 TIMING: 3335400 CPU: 9971.91, 0.00302983/step Wall: 9971.91, 0.00302983/step, 1.40096 hours remaining, 205.800781 MB of memory in use. ENERGY: 3335400 727.3194 2095.0874 1952.4853 122.1272 -206455.3760 17966.6088 0.0000 0.0000 34185.9603 -149405.7877 298.5545 -183591.7479 -149309.5766 298.8272 59.4610 91.4536 556305.8677 16.2281 16.2672 PRESSURE: 3335600 265.643 -7.4358 -34.6358 -7.43563 -88.7841 -0.886346 -34.6359 -0.887572 -160.871 GPRESSURE: 3335600 270.188 -54.096 -79.4138 -1.30853 -57.2603 4.9516 39.8663 -40.1476 -111.609 PRESSAVG: 3335600 14.2357 15.7676 22.156 15.7677 15.8552 -18.4183 22.1561 -18.4182 -15.166 GPRESSAVG: 3335600 14.5401 17.0899 22.0515 16.1463 16.0357 -19.1528 22.5766 -18.6139 -15.6586 TIMING: 3335600 CPU: 9972.51, 0.00302073/step Wall: 9972.51, 0.00302073/step, 1.39658 hours remaining, 205.800781 MB of memory in use. ENERGY: 3335600 731.4648 2056.0332 1925.9422 113.3643 -206069.8944 17694.5714 0.0000 0.0000 34192.6702 -149355.8483 298.6131 -183548.5185 -149257.7293 298.6283 5.3290 33.7727 556780.6569 4.9750 4.9724 PRESSURE: 3335800 225.908 161.49 71.1395 161.49 -91.9369 3.43933 71.1391 3.43926 104.321 GPRESSURE: 3335800 192.734 100.493 21.1135 219.286 -25.9337 -15.798 139.503 -62.3544 175.979 PRESSAVG: 3335800 32.6506 3.85834 27.4955 3.85838 -0.999678 -4.23381 27.4955 -4.23371 -7.51259 GPRESSAVG: 3335800 32.1765 5.68479 26.9251 2.61894 -0.860367 -3.26858 28.0446 -5.74479 -6.43962 TIMING: 3335800 CPU: 9973.12, 0.00301849/step Wall: 9973.12, 0.00301849/step, 1.39538 hours remaining, 205.800781 MB of memory in use. ENERGY: 3335800 765.2730 2043.7422 1942.2282 102.3884 -206130.5419 17919.2538 0.0000 0.0000 34174.0359 -149183.6204 298.4504 -183357.6563 -149084.7488 298.9194 79.4305 114.2599 556735.9198 8.0461 8.2922 PRESSURE: 3336000 -377.656 33.4236 -73.833 33.4228 -113.858 92.7863 -73.8333 92.7869 -116.571 GPRESSURE: 3336000 -338.561 -3.85398 -5.9811 -127.982 -122.923 66.8265 -111.895 -23.815 -54.5381 PRESSAVG: 3336000 -29.9528 18.2936 0.867061 18.2937 -4.24508 -28.3062 0.86713 -28.3062 37.5555 GPRESSAVG: 3336000 -29.9722 17.6969 3.67918 16.5497 -2.43857 -27.1968 -4.08364 -27.696 35.8019 TIMING: 3336000 CPU: 9973.72, 0.00301313/step Wall: 9973.72, 0.00301313/step, 1.39274 hours remaining, 205.800781 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: 3336000 756.7175 2090.6983 1944.4861 104.3757 -205867.5769 17472.1446 0.0000 0.0000 34376.9594 -149122.1955 300.2225 -183499.1549 -149019.0720 299.2185 -202.6950 -172.0074 558032.9020 1.1192 1.1304 PRESSURE: 3336200 -93.2419 179.78 -0.0808913 179.78 -39.5008 61.0099 -0.0790014 61.0107 -102.362 GPRESSURE: 3336200 -108.074 76.3999 -3.21943 246.02 -2.42746 9.58226 -9.52762 97.8622 -31.9964 PRESSAVG: 3336200 -61.8848 13.5163 46.3163 13.5163 72.8298 -28.0908 46.3161 -28.0907 17.2019 GPRESSAVG: 3336200 -63.1012 12.6897 45.0663 16.7703 71.3507 -29.2752 50.081 -30.4785 19.0127 TIMING: 3336200 CPU: 9974.32, 0.00300863/step Wall: 9974.32, 0.00300863/step, 1.39049 hours remaining, 205.800781 MB of memory in use. ENERGY: 3336200 760.6716 2100.0924 1947.6232 108.7330 -206093.0646 17664.3921 0.0000 0.0000 34224.0431 -149287.5092 298.8871 -183511.5523 -149190.9299 299.0348 -78.3682 -47.4992 556396.8771 9.3823 9.0874 LDB: ============= START OF LOAD BALANCING ============== 9977.75 LDB: ============== END OF LOAD BALANCING =============== 9977.75 LDB: =============== DONE WITH MIGRATION ================ 9977.76 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 9978.06 LDB: Largest compute 4819 load 0.029511 is 25.0% of average load 0.118068 LDB: Average compute 0.001735 is 1.5% of average load 0.118068 LDB: TIME 9978.06 LOAD: AVG 0.118068 MAX 0.21044 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.719 MB LDB: TIME 9978.06 LOAD: AVG 0.118068 MAX 0.21044 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.777 MB LDB: TIME 9978.06 LOAD: AVG 0.118068 MAX 0.21044 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 9978.07 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9978.07 PRESSURE: 3336400 -260.174 31.431 61.3032 31.4295 7.10904 18.7654 61.3026 18.7655 -113.451 GPRESSURE: 3336400 -202.984 23.8032 42.1049 47.8236 3.94544 88.8034 -2.82975 31.4795 -76.1043 PRESSAVG: 3336400 -87.287 25.3694 -12.5351 25.3695 77.7696 -30.4208 -12.5353 -30.4207 -4.8767 GPRESSAVG: 3336400 -87.0889 25.697 -12.338 22.8917 77.1982 -32.1938 -12.9828 -28.7007 -4.60509 TIMING: 3336400 CPU: 9974.94, 0.00309533/step Wall: 9974.94, 0.00309533/step, 1.43039 hours remaining, 205.742188 MB of memory in use. ENERGY: 3336400 768.3553 2118.1439 1930.6786 111.3134 -206296.0735 17851.2409 0.0000 0.0000 34260.7046 -149255.6369 299.2073 -183516.3415 -149152.5083 298.7240 -122.1722 -91.7143 557715.3976 -4.7980 -4.8319 PRESSURE: 3336600 -297.029 105.278 -87.3419 105.277 -320.651 167.505 -87.3412 167.504 -42.7419 GPRESSURE: 3336600 -264.847 84.4411 -194.997 -12.4139 -337.523 71.8256 -40.6361 173.537 40.3025 PRESSAVG: 3336600 -51.6069 -2.26218 49.7387 -2.26219 12.2906 -16.5666 49.7387 -16.5666 58.2374 GPRESSAVG: 3336600 -52.2012 -3.74883 48.2474 0.0574904 13.0818 -15.5848 50.4004 -16.2195 57.8212 TIMING: 3336600 CPU: 9975.54, 0.00302055/step Wall: 9975.54, 0.00302055/step, 1.39566 hours remaining, 206.000000 MB of memory in use. ENERGY: 3336600 764.8273 2144.0667 1926.3791 127.3860 -206174.8883 17675.4609 0.0000 0.0000 34239.6287 -149297.1395 299.0232 -183536.7682 -149201.1934 299.4530 -220.1406 -187.3557 560066.2765 6.3071 6.2339 PRESSURE: 3336800 -216.432 -148.617 133.149 -148.617 -16.4668 -107.602 133.15 -107.601 1.7226 GPRESSURE: 3336800 -174.608 -145.926 130.448 -156.737 -22.4044 -112.807 76.9454 -17.5545 46.7019 PRESSAVG: 3336800 6.04312 -37.8592 30.2006 -37.8593 -45.1911 -14.481 30.2005 -14.4809 30.3014 GPRESSAVG: 3336800 5.54836 -36.1749 28.6416 -38.2507 -44.2767 -13.2515 31.8813 -15.8478 30.3213 TIMING: 3336800 CPU: 9976.15, 0.00302495/step Wall: 9976.15, 0.00302495/step, 1.39752 hours remaining, 206.000000 MB of memory in use. ENERGY: 3336800 770.9785 2090.4374 1931.3557 105.5014 -206159.7622 17641.8912 0.0000 0.0000 34077.1501 -149542.4479 297.6042 -183619.5980 -149442.6110 298.8126 -77.0589 -50.1035 557785.4767 -2.9489 -2.8024 PRESSURE: 3337000 -136.617 16.279 83.3067 16.2793 110.495 130.867 83.3053 130.865 -89.8982 GPRESSURE: 3337000 -102.933 -33.3038 80.1114 -3.70973 150.948 171.439 88.422 64.6823 -73.6421 PRESSAVG: 3337000 -32.1462 11.3986 38.5849 11.3986 -5.3654 34.0099 38.5849 34.0098 57.4922 GPRESSAVG: 3337000 -30.8922 10.3689 41 10.7427 -6.31353 34.083 35.9586 34.8795 56.8026 TIMING: 3337000 CPU: 9976.76, 0.00304539/step Wall: 9976.76, 0.00304539/step, 1.4068 hours remaining, 206.105469 MB of memory in use. ENERGY: 3337000 750.2933 2116.9819 1936.9318 116.3704 -206383.0895 17841.1879 0.0000 0.0000 34093.3097 -149528.0144 297.7454 -183621.3240 -149427.2342 298.3536 -38.6732 -8.5423 558098.0590 6.6602 6.5323 PRESSURE: 3337200 -52.0107 -33.9622 125.039 -33.9607 -74.7229 -83.1625 125.039 -83.1615 -114.886 GPRESSURE: 3337200 -51.0928 -16.3262 109.75 -25.4745 15.9398 -107.364 129.852 -95.8483 -104.65 PRESSAVG: 3337200 -36.4406 4.67171 16.8688 4.67167 -9.0638 5.87019 16.8688 5.87018 54.6713 GPRESSAVG: 3337200 -36.1943 6.00146 15.8911 4.59265 -10.0357 4.07583 18.1311 7.44433 55.2682 TIMING: 3337200 CPU: 9977.37, 0.00304099/step Wall: 9977.37, 0.00304099/step, 1.4046 hours remaining, 206.105469 MB of memory in use. ENERGY: 3337200 754.8168 2080.7929 1963.1595 124.6531 -206277.9816 17644.4740 0.0000 0.0000 34186.1558 -149523.9294 298.5562 -183710.0852 -149429.3391 298.8129 -80.5398 -46.6011 556182.0649 3.0557 3.0128 PRESSURE: 3337400 -86.7358 -44.4118 -239.822 -44.4116 -81.6463 70.3266 -239.823 70.3276 -135.369 GPRESSURE: 3337400 -58.4026 -30.5974 -221.884 -26.8577 -110.561 134.897 -130.338 15.9757 -28.5543 PRESSAVG: 3337400 -63.5296 -50.5072 -26.0424 -50.5072 -5.98694 -34.3038 -26.0425 -34.3038 26.25 GPRESSAVG: 3337400 -64.2936 -50.039 -25.2613 -51.2352 -4.95466 -34.1431 -26.4845 -35.9681 25.6805 TIMING: 3337400 CPU: 9977.97, 0.0030282/step Wall: 9977.97, 0.0030282/step, 1.39853 hours remaining, 206.105469 MB of memory in use. ENERGY: 3337400 741.3489 2047.9184 1929.1584 108.4774 -206104.7877 17542.1544 0.0000 0.0000 34188.6731 -149547.0571 298.5782 -183735.7303 -149447.6427 298.5966 -101.2504 -65.8392 555977.5821 -14.4222 -14.5226 PRESSURE: 3337600 -164.505 117.688 -54.9495 117.688 -225.87 -125.148 -54.9491 -125.146 60.6165 GPRESSURE: 3337600 -153.567 109.606 -49.5749 83.62 -186.985 -148.859 -109.996 -59.536 108.148 PRESSAVG: 3337600 -9.5659 -1.00731 -39.9435 -1.00741 7.59011 -3.70859 -39.9434 -3.70864 -10.703 GPRESSAVG: 3337600 -8.43622 0.147237 -41.8307 -1.83954 6.4381 -4.60413 -36.8455 -0.965448 -10.6972 TIMING: 3337600 CPU: 9978.57, 0.00301127/step Wall: 9978.57, 0.00301127/step, 1.39054 hours remaining, 206.105469 MB of memory in use. ENERGY: 3337600 743.4533 2060.9404 1922.0884 114.3418 -206171.4746 17644.7289 0.0000 0.0000 34183.7032 -149502.2187 298.5348 -183685.9219 -149406.0168 298.4073 -109.9196 -77.4680 556852.1729 -4.2263 -4.2318 PRESSURE: 3337800 325.516 181.119 59.5065 181.12 -222.555 35.3279 59.5065 35.3263 -11.2566 GPRESSURE: 3337800 410.777 150.784 4.22362 92.9751 -222.693 96.9942 50.3565 7.63662 -7.01647 PRESSAVG: 3337800 24.3631 40.7591 -46.8151 40.7591 9.42306 24.5359 -46.8151 24.5358 -77.3061 GPRESSAVG: 3337800 23.656 38.9023 -45.6598 42.8187 10.8028 23.7986 -47.1387 24.291 -78.3642 TIMING: 3337800 CPU: 9979.18, 0.00301874/step Wall: 9979.18, 0.00301874/step, 1.39382 hours remaining, 206.105469 MB of memory in use. ENERGY: 3337800 732.9776 2058.1939 1944.9438 123.6450 -206210.0987 17951.2731 0.0000 0.0000 33824.7046 -149574.3607 295.3996 -183399.0653 -149476.5541 298.1095 30.5680 60.3558 556814.7764 -14.5067 -14.6351 PRESSURE: 3338000 -151.491 -113.401 106.607 -113.402 96.6622 -38.0173 106.606 -38.0169 -147.038 GPRESSURE: 3338000 -157.69 -164.06 63.8409 -103.287 145.851 -27.4547 100.696 -37.4778 -81.706 PRESSAVG: 3338000 72.4702 13.8498 30.1126 13.8498 -45.8692 34.5615 30.1126 34.5617 -12.2015 GPRESSAVG: 3338000 73.2162 13.0465 30.7874 13.0893 -46.5803 35.0917 28.6292 34.0001 -11.9037 TIMING: 3338000 CPU: 9979.78, 0.00301917/step Wall: 9979.78, 0.00301917/step, 1.39385 hours remaining, 206.105469 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: 3338000 739.9575 2053.3733 1932.7376 112.2963 -206207.1782 17660.8501 0.0000 0.0000 34210.2113 -149497.7520 298.7663 -183707.9634 -149393.1231 298.0132 -67.2887 -31.1815 557516.0172 4.7998 4.9107 PRESSURE: 3338200 -357.669 -116.871 -43.1259 -116.871 -189.737 48.4982 -43.1255 48.4997 -75.8518 GPRESSURE: 3338200 -284.355 -157.015 -36.9056 -155.796 -147.052 67.3879 -66.0652 85.1341 -91.1554 PRESSAVG: 3338200 3.3177 -37.4415 -13.5011 -37.4414 7.01974 -31.2265 -13.5011 -31.2265 6.51246 GPRESSAVG: 3338200 3.0085 -34.3094 -14.1952 -37.7793 7.1087 -27.8758 -13.7681 -33.8978 6.2631 TIMING: 3338200 CPU: 9980.39, 0.0030362/step Wall: 9980.39, 0.0030362/step, 1.40154 hours remaining, 206.105469 MB of memory in use. ENERGY: 3338200 719.1046 2091.7638 1954.4474 116.2063 -206260.6346 17589.1995 0.0000 0.0000 34302.0167 -149487.8963 299.5680 -183789.9130 -149388.2520 298.5039 -207.7525 -174.1875 557298.7342 5.6166 5.4601 PRESSURE: 3338400 -103.299 67.8737 -49.7524 67.8731 -348.802 20.8381 -49.7524 20.835 -326.681 GPRESSURE: 3338400 -120.482 36.446 16.87 56.213 -285.015 -35.5169 -12.4799 41.6808 -290.706 PRESSAVG: 3338400 19.07 52.3188 -12.7062 52.3188 -45.163 22.0868 -12.7061 22.0868 -10.9791 GPRESSAVG: 3338400 18.8723 51.8153 -11.3939 51.7636 -44.0761 20.022 -14.31 24.0488 -11.7787 TIMING: 3338400 CPU: 9981, 0.0030399/step Wall: 9981, 0.0030399/step, 1.40308 hours remaining, 206.105469 MB of memory in use. ENERGY: 3338400 746.9234 2055.2029 1954.6697 115.1158 -205681.7130 17250.4063 0.0000 0.0000 34309.2807 -149250.1141 299.6315 -183559.3948 -149143.6970 298.7163 -259.5941 -232.0673 557803.7191 -12.3573 -12.3275 PRESSURE: 3338600 -83.144 -40.0221 -36.5146 -40.024 -84.575 158.043 -36.5151 158.043 89.0835 GPRESSURE: 3338600 1.39663 28.4075 -18.0307 -110.241 -86.8833 167.864 -82.9094 145.543 116.168 PRESSAVG: 3338600 62.3234 91.2693 -3.79006 91.2693 -52.2041 -6.76527 -3.79002 -6.76531 1.44626 GPRESSAVG: 3338600 62.6678 89.1486 -3.81947 93.2944 -53.4284 -6.12476 -2.8089 -7.27753 1.76466 TIMING: 3338600 CPU: 9981.6, 0.0030246/step Wall: 9981.6, 0.0030246/step, 1.39585 hours remaining, 206.105469 MB of memory in use. ENERGY: 3338600 724.0726 2053.7493 1933.0962 117.8497 -206080.2376 17630.3759 0.0000 0.0000 34350.6799 -149270.4139 299.9930 -183621.0938 -149174.2887 299.3176 -26.2118 10.2270 556582.5959 3.8552 3.6680 PRESSURE: 3338800 -429.912 -3.03844 -191.824 -3.03757 -227.241 18.2738 -191.824 18.2746 -141.897 GPRESSURE: 3338800 -409.444 -10.1195 -99.1322 -22.2814 -163.378 15.6635 -243.815 73.9521 -109.797 PRESSAVG: 3338800 60.1958 10.5179 30.2109 10.5179 -53.2829 21.3902 30.2108 21.3903 1.646 GPRESSAVG: 3338800 59.3836 10.8695 31.5174 10.347 -51.0833 21.6023 30.8897 21.1894 1.27626 TIMING: 3338800 CPU: 9982.21, 0.00303594/step Wall: 9982.21, 0.00303594/step, 1.40092 hours remaining, 206.105469 MB of memory in use. ENERGY: 3338800 758.5695 2008.7266 1931.5450 105.3780 -205514.1272 17354.7147 0.0000 0.0000 34230.6011 -149124.5924 298.9444 -183355.1935 -149020.2358 299.6617 -266.3498 -227.5394 558637.6788 2.8529 3.1922 PRESSURE: 3339000 41.307 42.9583 -77.0736 42.96 113.411 -21.0357 -77.0731 -21.0352 26.7695 GPRESSURE: 3339000 105.175 -49.6389 -93.3241 92.6863 132.524 -63.6086 -75.0176 -23.6077 58.9808 PRESSAVG: 3339000 6.84318 36.6374 -24.9618 36.6374 -69.6457 -79.9817 -24.9618 -79.9817 41.5883 GPRESSAVG: 3339000 7.33476 38.1018 -27.0289 36.4453 -69.7699 -80.2448 -23.4934 -79.1098 41.7243 TIMING: 3339000 CPU: 9982.81, 0.00302826/step Wall: 9982.81, 0.00302826/step, 1.39721 hours remaining, 206.304688 MB of memory in use. ENERGY: 3339000 743.3370 2069.1955 1929.2440 111.4853 -206072.2662 17966.7059 0.0000 0.0000 34226.8362 -149025.4623 298.9115 -183252.2985 -148935.6627 299.4634 60.4957 98.8932 558867.4317 -7.0714 -6.9036 PRESSURE: 3339200 -63.6412 24.2704 -28.2396 24.2702 -178.377 -80.7642 -28.2395 -80.7647 86.9568 GPRESSURE: 3339200 -65.164 -25.9955 -0.901642 94.9612 -148.79 -111.167 -96.6017 -86.3956 154.803 PRESSAVG: 3339200 36.6943 -24.8543 30.1538 -24.8543 -32.5818 -44.7711 30.1539 -44.7712 14.4949 GPRESSAVG: 3339200 35.3504 -26.1383 29.3904 -25.1991 -32.7752 -42.7016 27.3182 -46.3388 15.4799 TIMING: 3339200 CPU: 9983.41, 0.00298724/step Wall: 9983.41, 0.00298724/step, 1.37811 hours remaining, 206.304688 MB of memory in use. ENERGY: 3339200 756.0241 2107.6001 1935.6985 117.8241 -205900.8783 17743.5447 0.0000 0.0000 34329.7111 -148910.4758 299.8099 -183240.1868 -148803.5055 299.3307 -51.6871 -19.7168 559888.9356 6.2025 6.0184 PRESSURE: 3339400 -422.584 -22.5218 147.523 -22.5223 -76.6074 84.3089 147.523 84.3084 -192.775 GPRESSURE: 3339400 -439.406 25.3171 8.53516 -84.7667 -22.5059 39.1043 155.88 82.3606 -122.494 PRESSAVG: 3339400 56.6871 -22.285 60.1561 -22.2849 5.87047 -11.3294 60.1561 -11.3293 -42.2134 GPRESSAVG: 3339400 56.3285 -20.8635 61.7195 -23.3744 5.22705 -13.5519 59.8936 -10.8885 -41.0086 TIMING: 3339400 CPU: 9984.01, 0.00300887/step Wall: 9984.01, 0.00300887/step, 1.38792 hours remaining, 206.304688 MB of memory in use. ENERGY: 3339400 752.3145 2080.1839 1935.6306 106.8818 -205612.5946 17520.5491 0.0000 0.0000 34204.4101 -149012.6246 298.7156 -183217.0348 -148912.5062 300.1432 -230.6553 -194.8020 560711.8962 6.7814 6.8490 PRESSURE: 3339600 -91.0947 -57.7514 114.525 -57.7514 -144.919 -163.997 114.526 -163.997 23.0149 GPRESSURE: 3339600 -60.9384 75.7393 146.81 -132.331 -99.7505 -207.356 134.196 -98.4566 45.2181 PRESSAVG: 3339600 38.4897 -29.3655 -23.0903 -29.3655 69.8383 -77.6548 -23.0903 -77.6549 -56.2945 GPRESSAVG: 3339600 40.3206 -28.5019 -22.7868 -28.8023 69.3132 -76.3832 -23.3189 -78.5496 -57.3562 TIMING: 3339600 CPU: 9984.62, 0.00300496/step Wall: 9984.62, 0.00300496/step, 1.38595 hours remaining, 206.304688 MB of memory in use. ENERGY: 3339600 736.6331 2054.6995 1953.3112 118.3188 -206079.5742 17751.7922 0.0000 0.0000 34408.2504 -149056.5690 300.4958 -183464.8194 -148953.8630 299.2776 -70.9996 -38.4903 558300.3399 17.3445 17.4259 PRESSURE: 3339800 -7.00053 64.4938 -55.6723 64.4933 142.247 51.0339 -55.6707 51.034 -106.07 GPRESSURE: 3339800 12.1791 83.5027 -54.1231 15.0555 204.592 128.365 -94.6641 -42.18 -82.753 PRESSAVG: 3339800 15.737 23.0779 7.3865 23.0779 34.4585 -5.78322 7.38662 -5.78323 -46.4253 GPRESSAVG: 3339800 15.6593 22.8269 5.80931 25.0437 35.4092 -5.47023 9.99811 -5.94987 -47.2222 TIMING: 3339800 CPU: 9985.22, 0.00301552/step Wall: 9985.22, 0.00301552/step, 1.39066 hours remaining, 206.304688 MB of memory in use. ENERGY: 3339800 760.4385 2106.1524 1963.8029 118.4891 -206046.9805 17945.3938 0.0000 0.0000 34418.0059 -148734.6979 300.5810 -183152.7038 -148635.9363 300.4065 9.7256 44.6728 557207.8952 1.2568 1.2821 PRESSURE: 3340000 -63.0296 -41.8447 -48.9321 -41.8452 9.75051 66.3597 -48.9331 66.358 97.1828 GPRESSURE: 3340000 -1.65547 -58.418 -136.024 -41.554 59.6294 157.534 7.11048 -19.7574 93.6993 PRESSAVG: 3340000 -15.6398 -21.0232 2.29037 -21.0232 43.0332 -15.5422 2.29039 -15.5422 -47.6019 GPRESSAVG: 3340000 -14.8289 -21.7604 2.51594 -22.0098 42.4297 -16.5481 0.849468 -13.624 -48.2552 TIMING: 3340000 CPU: 9985.83, 0.00303768/step Wall: 9985.83, 0.00303768/step, 1.40071 hours remaining, 206.304688 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: 3340000 711.4039 2067.2154 1934.3790 127.8914 -206166.3633 17739.5881 0.0000 0.0000 34702.8973 -148882.9882 303.0690 -183585.8855 -148785.7238 301.1168 14.6346 50.5577 557128.2512 -6.7362 -6.8848 PRESSURE: 3340200 88.0204 -54.222 125.029 -54.2208 -9.45662 21.1561 125.03 21.1575 185.501 GPRESSURE: 3340200 143.301 44.0182 142.241 -88.7927 -28.6455 1.29592 65.5821 -28.7529 257.195 PRESSAVG: 3340200 -8.57843 -22.1149 14.7922 -22.1149 33.4378 -12.1744 14.7922 -12.1744 -34.9942 GPRESSAVG: 3340200 -9.12509 -24.3475 15.4642 -20.5174 33.115 -11.8413 14.8908 -12.7743 -34.3982 TIMING: 3340200 CPU: 9986.43, 0.00303456/step Wall: 9986.43, 0.00303456/step, 1.3991 hours remaining, 206.304688 MB of memory in use. ENERGY: 3340200 776.1204 2092.2221 1944.9519 123.2289 -206328.0843 17891.8114 0.0000 0.0000 34636.8283 -148862.9213 302.4920 -183499.7496 -148773.5581 300.6530 88.0215 123.9501 556234.4675 -3.3783 -3.4694 LDB: ============= START OF LOAD BALANCING ============== 9989.87 LDB: ============== END OF LOAD BALANCING =============== 9989.87 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9989.87 LDB: ============= START OF LOAD BALANCING ============== 9990.17 LDB: Largest compute 4820 load 0.029259 is 24.8% of average load 0.118006 LDB: Average compute 0.001737 is 1.5% of average load 0.118006 LDB: TIME 9990.17 LOAD: AVG 0.118006 MAX 0.210597 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 9990.17 LOAD: AVG 0.118006 MAX 0.210597 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: TIME 9990.17 LOAD: AVG 0.118006 MAX 0.210597 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.453 MB LDB: ============== END OF LOAD BALANCING =============== 9990.18 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 9990.18 PRESSURE: 3340400 322.509 -177.649 50.3234 -177.649 -39.7917 111.68 50.3234 111.681 -13.5319 GPRESSURE: 3340400 275.994 -206.299 65.2475 -148.806 44.6306 177.13 108.583 68.7465 47.6885 PRESSAVG: 3340400 67.8918 -7.96254 20.8642 -7.9625 20.4815 -4.22855 20.8641 -4.22857 -25.9005 GPRESSAVG: 3340400 67.3431 -6.4497 18.9847 -9.53562 20.3579 -5.8319 20.3178 -2.43977 -25.3119 TIMING: 3340400 CPU: 9987.05, 0.00309013/step Wall: 9987.05, 0.00309013/step, 1.42455 hours remaining, 205.941406 MB of memory in use. ENERGY: 3340400 755.4807 2086.9618 1958.1425 120.6959 -206118.9565 18021.4242 0.0000 0.0000 34349.7683 -148826.4832 299.9851 -183176.2515 -148734.6477 300.0017 89.7284 122.7711 556437.3870 20.8243 20.7964 PRESSURE: 3340600 -166.687 118.945 -81.2459 118.944 -78.958 -8.95367 -81.2459 -8.95436 -129.013 GPRESSURE: 3340600 -191.804 61.6359 -47.6372 104.558 -55.5812 -49.5224 -97.4587 3.66612 -30.666 PRESSAVG: 3340600 4.65768 -46.8153 -31.9125 -46.8153 13.3429 -12.9256 -31.9126 -12.9257 -24.3685 GPRESSAVG: 3340600 4.032 -44.8617 -30.8171 -46.7809 13.5868 -12.5856 -31.8854 -14.7741 -23.898 TIMING: 3340600 CPU: 9987.65, 0.003012/step Wall: 9987.65, 0.003012/step, 1.38836 hours remaining, 206.140625 MB of memory in use. ENERGY: 3340600 750.0482 2117.5781 1919.2779 105.2040 -205506.2402 17462.6277 0.0000 0.0000 34198.3869 -148953.1174 298.6630 -183151.5043 -148861.5576 300.1997 -124.8860 -92.6838 557321.5034 -2.1226 -2.0930 PRESSURE: 3340800 108.782 -78.4437 -201.14 -78.4453 -24.2302 -35.8816 -201.139 -35.8832 -111.358 GPRESSURE: 3340800 103.045 -49.2189 -142.817 12.5871 -11.2989 -14.8356 -179.934 -148.056 -2.49755 PRESSAVG: 3340800 -1.67618 -26.0226 -2.09039 -26.0225 72.2984 53.8505 -2.0904 53.8505 -1.738 GPRESSAVG: 3340800 -1.39833 -28.874 -1.48098 -23.8083 72.7964 53.7603 -1.02826 54.5969 -1.96185 TIMING: 3340800 CPU: 9988.26, 0.00301716/step Wall: 9988.26, 0.00301716/step, 1.39057 hours remaining, 206.140625 MB of memory in use. ENERGY: 3340800 783.8715 2088.5089 1929.6272 112.5471 -206374.5730 17926.5753 0.0000 0.0000 34464.8429 -149068.6001 300.9900 -183533.4430 -148975.0184 300.2810 -8.9353 29.7495 556393.4644 22.9614 23.1454 PRESSURE: 3341000 7.33912 -64.1566 -95.3851 -64.1555 68.2903 14.3036 -95.3845 14.3037 386.9 GPRESSURE: 3341000 74.8865 -1.21326 -110.148 -105.142 95.4812 -58.6429 -34.7223 41.736 387.134 PRESSAVG: 3341000 29.5103 -72.5857 2.03753 -72.5857 -33.7202 -47.1718 2.03755 -47.1718 -1.86264 GPRESSAVG: 3341000 30.2405 -72.6707 1.56733 -74.8036 -33.9148 -47.6035 1.7118 -46.7824 -2.17614 TIMING: 3341000 CPU: 9988.86, 0.00301286/step Wall: 9988.86, 0.00301286/step, 1.38843 hours remaining, 206.140625 MB of memory in use. ENERGY: 3341000 752.9731 2077.2447 1937.1498 102.7801 -206560.3054 18155.5878 0.0000 0.0000 34466.3206 -149068.2492 301.0030 -183534.5698 -148970.5349 300.1766 154.1764 185.8340 557987.2378 -2.0242 -1.9501 PRESSURE: 3341200 -182.399 -27.9553 69.0524 -27.9545 -145.484 12.493 69.0532 12.4957 -133.41 GPRESSURE: 3341200 -190.179 6.69844 100.671 -61.5214 -83.4755 -71.8252 44.7594 11.7408 -80.9739 PRESSAVG: 3341200 -32.072 9.89168 -36.1889 9.89171 2.99651 -90.0929 -36.189 -90.093 1.05886 GPRESSAVG: 3341200 -31.0968 11.8207 -34.1374 11.3105 3.00375 -88.6976 -38.4391 -92.0017 0.786193 TIMING: 3341200 CPU: 9989.47, 0.00303791/step Wall: 9989.47, 0.00303791/step, 1.3998 hours remaining, 206.140625 MB of memory in use. ENERGY: 3341200 782.7073 2068.3936 1955.2454 111.0758 -206004.6330 17705.7105 0.0000 0.0000 34373.0020 -149008.4982 300.1880 -183381.5003 -148910.0673 300.0623 -153.7641 -118.2095 558955.5500 -9.3389 -9.1023 PRESSURE: 3341400 -197.827 97.6785 -72.9493 97.6773 -321.412 65.2023 -72.9499 65.2019 -250.788 GPRESSURE: 3341400 -204.244 83.6697 -21.3449 171.32 -292.92 132.098 -158.838 65.4522 -173.916 PRESSAVG: 3341400 -24.022 26.5037 12.3573 26.5037 -22.1808 -14.1357 12.3573 -14.1356 39.8764 GPRESSAVG: 3341400 -23.7646 25.4259 11.1508 25.7093 -22.6172 -14.2048 12.1879 -11.6113 40.6531 TIMING: 3341400 CPU: 9990.07, 0.00303799/step Wall: 9990.07, 0.00303799/step, 1.39967 hours remaining, 206.140625 MB of memory in use. ENERGY: 3341400 756.2620 2121.3901 1960.8414 126.3851 -205307.9397 17356.8453 0.0000 0.0000 34220.0469 -148766.1690 298.8522 -182986.2158 -148681.3664 300.2515 -256.6757 -223.6934 559545.8006 -2.1088 -1.9096 PRESSURE: 3341600 269.104 90.3008 -17.0149 90.2997 92.3525 129.806 -17.014 129.804 85.2888 GPRESSURE: 3341600 307.495 63.6189 13.8338 101.534 118.86 185.181 1.52393 38.7976 123.159 PRESSAVG: 3341600 9.21019 0.729662 20.0276 0.729643 -45.674 7.85451 20.0276 7.85466 6.38015 GPRESSAVG: 3341600 8.74632 2.41092 20.2267 -0.16504 -46.4259 6.0548 21.7341 5.888 7.01947 TIMING: 3341600 CPU: 9990.68, 0.00301728/step Wall: 9990.68, 0.00301728/step, 1.38996 hours remaining, 206.140625 MB of memory in use. ENERGY: 3341600 742.9338 2091.7394 1913.8466 108.8730 -206022.4616 17990.3316 0.0000 0.0000 34174.3489 -149000.3882 298.4531 -183174.7371 -148904.4224 300.2698 148.9152 183.1713 557507.8881 -10.0279 -10.2201 PRESSURE: 3341800 43.8464 -97.885 77.4866 -97.8848 42.6329 20.7876 77.4881 20.7874 163.664 GPRESSURE: 3341800 70.4685 -58.0245 27.5397 -34.4305 60.7035 30.539 113.691 -51.4234 222.814 PRESSAVG: 3341800 -39.3069 -21.2032 18.9226 -21.2032 4.24153 21.0116 18.9227 21.0114 36.6638 GPRESSAVG: 3341800 -39.8932 -19.6554 20.4647 -21.7257 5.2988 20.7355 17.0349 22.0597 35.6474 TIMING: 3341800 CPU: 9991.28, 0.00302845/step Wall: 9991.28, 0.00302845/step, 1.39494 hours remaining, 206.140625 MB of memory in use. ENERGY: 3341800 707.1776 2073.4091 1914.8163 111.1779 -206216.3714 17909.0026 0.0000 0.0000 34328.3984 -149172.3895 299.7984 -183500.7878 -149079.3477 299.7250 83.3810 117.9954 558121.5244 0.5328 0.3510 PRESSURE: 3342000 -365.183 -4.09161 -72.5851 -4.09191 361.574 -62.4504 -72.5835 -62.4498 -273.85 GPRESSURE: 3342000 -285.098 -60.2399 -23.9111 78.8881 321.61 -94.2231 -125.536 -0.100889 -219.674 PRESSAVG: 3342000 -16.6452 -19.4017 -35.2487 -19.4017 17.5586 8.30927 -35.2488 8.30939 -17.6554 GPRESSAVG: 3342000 -15.9869 -21.7389 -37.57 -18.2715 16.7861 8.53504 -34.6992 7.67511 -17.993 TIMING: 3342000 CPU: 9991.89, 0.00301789/step Wall: 9991.89, 0.00301789/step, 1.38991 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: 3342000 725.8610 2105.7677 1953.6990 112.5254 -206168.4372 17777.6979 0.0000 0.0000 34207.8608 -149285.0254 298.7458 -183492.8862 -149191.4160 299.1988 -92.4861 -61.0540 558371.9823 -5.5807 -5.7313 PRESSURE: 3342200 -5.29057 -77.8125 28.8628 -77.8128 -83.2382 -18.4874 28.8633 -18.4866 -185.079 GPRESSURE: 3342200 23.3651 -95.6145 29.6421 -90.2205 -76.7622 6.43278 101.534 -38.5572 -126.69 PRESSAVG: 3342200 29.2797 35.0704 -19.1775 35.0704 -35.5987 -21.9582 -19.1775 -21.9582 19.8403 GPRESSAVG: 3342200 28.5268 36.176 -19.6332 36.0198 -35.6595 -20.4106 -18.3678 -21.9182 19.6354 TIMING: 3342200 CPU: 9992.49, 0.00303316/step Wall: 9992.49, 0.00303316/step, 1.39677 hours remaining, 206.140625 MB of memory in use. ENERGY: 3342200 756.2881 2137.2088 1912.1241 111.2094 -206385.0433 17806.8213 0.0000 0.0000 34456.9772 -149204.4143 300.9214 -183661.3915 -149100.8255 299.6104 -91.2025 -60.0291 557896.2708 4.5071 4.1675 PRESSURE: 3342400 78.0659 13.6798 -11.709 13.6801 36.853 -20.5723 -11.7094 -20.5711 88.2658 GPRESSURE: 3342400 133.201 -42.5907 -10.4744 12.7893 93.0622 -91.7254 2.07434 -49.3155 66.5013 PRESSAVG: 3342400 60.4022 16.1605 -45.4104 16.1606 37.9816 -12.3454 -45.4104 -12.3453 -74.9593 GPRESSAVG: 3342400 59.585 15.6319 -44.8924 13.3599 37.6394 -13.3879 -46.2346 -10.4319 -73.6913 TIMING: 3342400 CPU: 9993.1, 0.00303136/step Wall: 9993.1, 0.00303136/step, 1.39577 hours remaining, 206.140625 MB of memory in use. ENERGY: 3342400 715.4200 2062.6121 1941.2610 113.4903 -206232.6716 17856.3191 0.0000 0.0000 34138.5428 -149405.0263 298.1404 -183543.5691 -149301.1938 299.9026 67.7282 97.5881 557219.6659 7.8082 7.8443 PRESSURE: 3342600 -111.216 73.4542 33.3516 73.4533 -81.4806 -7.42519 33.3519 -7.4258 -29.8526 GPRESSURE: 3342600 -50.7908 -0.666318 25.645 147.24 -78.4339 30.9777 80.8361 -69.25 12.057 PRESSAVG: 3342600 41.4467 45.9943 64.8208 45.9943 -42.8017 -7.73254 64.8207 -7.73255 -26.0086 GPRESSAVG: 3342600 41.1548 45.8789 64.5797 47.4946 -41.4064 -6.52542 65.3196 -9.96868 -27.04 TIMING: 3342600 CPU: 9993.7, 0.00300538/step Wall: 9993.7, 0.00300538/step, 1.38364 hours remaining, 206.140625 MB of memory in use. ENERGY: 3342600 766.1243 2049.1574 1941.7276 109.7292 -206510.4040 17856.6519 0.0000 0.0000 34391.6808 -149395.3329 300.3511 -183787.0136 -149300.7165 299.1161 -74.1831 -39.0559 556745.2089 -9.1212 -9.0972 PRESSURE: 3342800 -222.852 -108.948 -22.335 -108.949 -89.7761 232.975 -22.3344 232.974 -201.137 GPRESSURE: 3342800 -251.048 -83.4491 -3.91122 -127.695 -22.4798 199.976 -34.589 164.746 -139.051 PRESSAVG: 3342800 42.6491 51.6147 88.2405 51.6147 1.82439 29.5534 88.2406 29.5533 -55.6598 GPRESSAVG: 3342800 43.579 51.3472 89.7066 52.4857 1.0274 29.9972 87.7451 29.3883 -55.5165 TIMING: 3342800 CPU: 9994.31, 0.0030235/step Wall: 9994.31, 0.0030235/step, 1.39182 hours remaining, 206.140625 MB of memory in use. ENERGY: 3342800 745.9907 2083.5793 1948.3465 122.2957 -205827.6910 17508.6309 0.0000 0.0000 34135.6051 -149283.2428 298.1147 -183418.8478 -149184.8552 299.3035 -171.2550 -137.5263 559317.5385 -3.7288 -3.6367 PRESSURE: 3343000 34.8281 -35.9682 74.6926 -35.9664 197.695 44.798 74.6921 44.7977 136.551 GPRESSURE: 3343000 42.5376 -51.4259 29.2415 -56.2109 268.384 65.3381 171.256 -18.4884 151.97 PRESSAVG: 3343000 -15.3028 -9.44117 38.1597 -9.44129 24.072 55.7559 38.1597 55.756 -12.4355 GPRESSAVG: 3343000 -14.9627 -8.71322 35.8253 -11.1516 23.189 55.3065 39.3742 55.7143 -11.9362 TIMING: 3343000 CPU: 9994.91, 0.00303062/step Wall: 9994.91, 0.00303062/step, 1.39493 hours remaining, 206.140625 MB of memory in use. ENERGY: 3343000 786.7287 2061.5708 1915.2646 92.5202 -206194.1632 17886.1492 0.0000 0.0000 34161.1791 -149290.7506 298.3381 -183451.9297 -149191.9378 299.0172 123.0248 154.2972 556823.2271 -1.2221 -1.2366 PRESSURE: 3343200 -125.164 82.2565 189.366 82.2564 -68.8368 -221.648 189.366 -221.648 -218.069 GPRESSURE: 3343200 -57.9515 78.4911 167.943 75.6224 -84.7241 -179.141 203.742 -192.897 -165.75 PRESSAVG: 3343200 -15.536 -9.00475 -29.7335 -9.00482 29.3721 1.25806 -29.7336 1.25811 -2.23144 GPRESSAVG: 3343200 -16.679 -9.46845 -28.338 -9.33684 29.7626 -0.474952 -29.4214 3.20531 -1.13815 TIMING: 3343200 CPU: 9995.52, 0.00304613/step Wall: 9995.52, 0.00304613/step, 1.4019 hours remaining, 206.140625 MB of memory in use. ENERGY: 3343200 769.9801 2084.9245 1931.0051 114.6036 -205753.7397 17572.0565 0.0000 0.0000 34039.7503 -149241.4196 297.2776 -183281.1699 -149145.8514 298.9899 -137.3568 -102.8086 557471.1335 3.8682 3.9818 PRESSURE: 3343400 153.079 21.4491 35.115 21.4485 -92.2756 32.1855 35.1153 32.1855 -69.378 GPRESSURE: 3343400 205.224 10.0021 85.7091 -16.3233 -118.325 72.3305 4.86736 19.8715 1.56251 PRESSAVG: 3343400 -10.1773 42.5452 -32.9683 42.5452 24.629 -6.19698 -32.9683 -6.19708 -33.041 GPRESSAVG: 3343400 -8.83849 44.0388 -33.6403 39.9449 24.9063 -2.80628 -34.1458 -7.27329 -34.5086 TIMING: 3343400 CPU: 9996.12, 0.003019/step Wall: 9996.12, 0.003019/step, 1.38924 hours remaining, 206.140625 MB of memory in use. ENERGY: 3343400 739.1434 2068.4812 1947.5362 114.1966 -206172.6779 17737.2544 0.0000 0.0000 34362.6186 -149203.4475 300.0973 -183566.0661 -149105.7310 299.1897 -2.8580 29.4872 557865.1416 -6.1964 -6.1469 PRESSURE: 3343600 60.9626 54.4646 -21.3158 54.4628 223.224 -69.5676 -21.3158 -69.5668 135.183 GPRESSURE: 3343600 114.919 169.665 -63.6404 51.3946 271.734 -82.0959 17.0387 3.1811 135.036 PRESSAVG: 3343600 -23.8446 3.0911 12.24 3.0911 5.88566 10.2803 12.2401 10.2803 24.7219 GPRESSAVG: 3343600 -24.1222 1.05193 12.0762 7.74798 5.98191 8.98588 13.1293 9.9547 24.9819 TIMING: 3343600 CPU: 9996.73, 0.00303119/step Wall: 9996.73, 0.00303119/step, 1.39469 hours remaining, 206.140625 MB of memory in use. ENERGY: 3343600 743.1328 2092.7526 1966.9647 116.7995 -206389.7381 17906.4034 0.0000 0.0000 34424.6177 -149139.0673 300.6387 -183563.6850 -149039.6205 299.6557 139.7898 173.8964 556955.7618 2.2543 2.2805 PRESSURE: 3343800 83.6252 -97.4006 -10.1306 -97.4011 17.208 -241.185 -10.1301 -241.186 -118.915 GPRESSURE: 3343800 108.997 -181.655 39.5828 -49.1625 44.5537 -242.618 52.5272 -222.077 -64.8347 PRESSAVG: 3343800 -11.4525 -65.6058 -3.45178 -65.6058 31.985 -70.1706 -3.45179 -70.1706 44.9043 GPRESSAVG: 3343800 -9.88738 -65.6645 -3.9225 -68.1386 32.5684 -70.1436 -2.92034 -71.1466 43.2059 TIMING: 3343800 CPU: 9997.33, 0.00300072/step Wall: 9997.33, 0.00300072/step, 1.3805 hours remaining, 206.140625 MB of memory in use. ENERGY: 3343800 757.1973 2105.4688 1937.4783 118.9634 -206461.4910 17845.1652 0.0000 0.0000 34554.6144 -149142.6037 301.7740 -183697.2181 -149049.4115 299.6606 -6.0274 29.5719 556463.0857 21.8123 21.9623 PRESSURE: 3344000 -102.155 6.17611 99.9795 6.17533 65.7065 31.9711 99.98 31.9731 -102.787 GPRESSURE: 3344000 -90.2549 -19.7488 134.681 55.1216 101.632 74.266 93.4206 91.451 -57.5352 PRESSAVG: 3344000 -47.38 -1.11776 -1.6948 -1.11787 -0.184652 -28.4633 -1.69491 -28.4632 28.0814 GPRESSAVG: 3344000 -47.7563 -1.72771 -1.90351 1.41109 -0.113008 -28.7057 -2.78842 -28.5617 28.4565 TIMING: 3344000 CPU: 9997.94, 0.00303641/step Wall: 9997.94, 0.00303641/step, 1.39675 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: 3344000 740.4399 2052.1763 1943.9635 114.9904 -206247.2376 17654.2492 0.0000 0.0000 34493.6352 -149247.7832 301.2415 -183741.4183 -149148.6101 299.3301 -46.4119 -15.3859 557297.7206 -6.4944 -6.4709 PRESSURE: 3344200 -12.9619 -56.5599 80.0846 -56.5608 -70.0423 11.0091 80.0842 11.0089 -215.551 GPRESSURE: 3344200 7.24251 -66.9707 139.525 -67.1175 -107.869 -0.904411 35.082 -3.07528 -109.156 PRESSAVG: 3344200 10.8868 -1.6289 28.338 -1.62892 52.3449 10.7972 28.338 10.7972 -13.7662 GPRESSAVG: 3344200 8.33121 -0.0399696 29.8027 -2.32322 53.0107 9.73822 28.009 10.1857 -11.7657 TIMING: 3344200 CPU: 9998.54, 0.00301858/step Wall: 9998.54, 0.00301858/step, 1.38838 hours remaining, 206.140625 MB of memory in use. ENERGY: 3344200 731.6667 2046.2693 1946.0580 108.7834 -205863.6104 17514.2692 0.0000 0.0000 34256.4964 -149260.0675 299.1705 -183516.5638 -149160.1642 299.3705 -99.5183 -69.9274 558421.5696 16.4885 16.5254 LDB: ============= START OF LOAD BALANCING ============== 10002 LDB: ============== END OF LOAD BALANCING =============== 10002 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10002 LDB: ============= START OF LOAD BALANCING ============== 10002.3 LDB: Largest compute 4820 load 0.026926 is 22.8% of average load 0.118102 LDB: Average compute 0.001741 is 1.5% of average load 0.118102 LDB: TIME 10002.3 LOAD: AVG 0.118102 MAX 0.210993 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.43 MB LDB: TIME 10002.3 LOAD: AVG 0.118102 MAX 0.210993 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.633 MB LDB: TIME 10002.3 LOAD: AVG 0.118102 MAX 0.210993 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.633 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10002.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10002.3 PRESSURE: 3344400 87.5842 152.509 19.2321 152.508 149.015 -36.4876 19.2326 -36.4884 28.159 GPRESSURE: 3344400 118.282 74.3673 -44.0791 63.0608 185.816 -82.3813 46.4756 81.9457 46.702 PRESSAVG: 3344400 -0.325111 -8.15961 32.467 -8.15962 -28.6221 2.24833 32.467 2.24827 -3.82173 GPRESSAVG: 3344400 0.277554 -8.5657 29.519 -9.08993 -28.4156 2.61869 33.5109 4.73388 -4.17779 TIMING: 3344400 CPU: 9999.16, 0.00307778/step Wall: 9999.16, 0.00307778/step, 1.41544 hours remaining, 207.992188 MB of memory in use. ENERGY: 3344400 763.4875 2077.1195 1937.8972 102.2038 -206441.4737 17939.9998 0.0000 0.0000 34344.3408 -149276.4251 299.9377 -183620.7659 -149189.8692 298.8976 88.2526 116.9336 556659.7053 -10.9230 -10.7720 PRESSURE: 3344600 97.5373 -124.846 50.256 -124.846 -25.4392 90.4479 50.2549 90.4457 225.903 GPRESSURE: 3344600 126.535 -135.316 32.4773 29.754 15.0143 110.02 49.8331 37.0281 249.093 PRESSAVG: 3344600 -1.36446 14.2414 0.340624 14.2414 18.9115 -11.3872 0.340692 -11.3871 23.3063 GPRESSAVG: 3344600 -0.614482 15.372 3.69808 13.9619 19.5243 -11.2536 0.0901239 -12.8459 22.2576 TIMING: 3344600 CPU: 9999.76, 0.00302422/step Wall: 9999.76, 0.00302422/step, 1.39064 hours remaining, 208.097656 MB of memory in use. ENERGY: 3344600 761.5691 2078.1470 1931.8458 102.8503 -206349.3343 18027.3597 0.0000 0.0000 34319.3243 -149128.2381 299.7192 -183447.5623 -149035.4083 299.5091 99.3338 130.2143 557914.7216 13.6178 13.7225 PRESSURE: 3344800 33.5938 54.5366 95.9983 54.5369 -35.4017 21.6521 95.9972 21.6528 50.117 GPRESSURE: 3344800 54.0402 24.2376 -32.8437 133.265 0.595653 49.284 162.326 42.3641 91.1279 PRESSAVG: 3344800 2.04239 19.9415 -3.22913 19.9415 -47.5079 -15.4457 -3.2292 -15.4457 69.3435 GPRESSAVG: 3344800 2.15355 17.4832 -2.99959 21.5136 -48.4028 -16.2091 -2.45953 -12.9077 70.3787 TIMING: 3344800 CPU: 10000.4, 0.00300314/step Wall: 10000.4, 0.00300314/step, 1.38078 hours remaining, 208.097656 MB of memory in use. ENERGY: 3344800 785.9152 2055.6523 1944.9770 131.0701 -206098.5679 17930.9734 0.0000 0.0000 34126.9506 -149123.0292 298.0391 -183249.9798 -149024.9780 299.9987 16.1030 48.5879 556872.0973 7.9593 8.0432 PRESSURE: 3345000 46.5552 2.55917 -164.4 2.56092 -251.956 65.7064 -164.4 65.7076 -557.228 GPRESSURE: 3345000 43.3954 75.078 -154.816 -18.9655 -245.257 9.24613 -202.182 57.9415 -463.084 PRESSAVG: 3345000 -18.6543 -41.5699 22.8151 -41.5699 35.1861 -7.16603 22.8149 -7.16604 -6.50469 GPRESSAVG: 3345000 -18.8223 -39.5302 22.5244 -43.345 35.5324 -6.67384 21.0079 -8.08279 -6.91839 TIMING: 3345000 CPU: 10001, 0.00304012/step Wall: 10001, 0.00304012/step, 1.39761 hours remaining, 208.097656 MB of memory in use. ENERGY: 3345000 779.4498 2120.0508 1964.8635 114.5276 -205907.0886 17333.9027 0.0000 0.0000 34451.3316 -149142.9624 300.8720 -183594.2941 -149047.2293 300.2144 -254.2099 -221.6485 556484.2079 3.3424 3.2639 PRESSURE: 3345200 39.3929 -89.5512 -107.833 -89.5507 -94.4925 -52.8966 -107.832 -52.8953 -200.87 GPRESSURE: 3345200 -2.53802 -84.2874 42.4703 -8.30323 -3.18843 -71.4339 -137.849 -21.7156 -141.394 PRESSAVG: 3345200 -13.7793 -39.9498 -51.0964 -39.9497 -49.3816 24.9364 -51.0964 24.9364 5.49123 GPRESSAVG: 3345200 -13.7798 -40.9572 -52.4966 -40.7809 -49.1121 26.3777 -50.8874 22.943 4.81609 TIMING: 3345200 CPU: 10001.6, 0.00305463/step Wall: 10001.6, 0.00305463/step, 1.40411 hours remaining, 208.097656 MB of memory in use. ENERGY: 3345200 743.0118 2064.3726 1963.6215 109.7175 -206120.2841 17636.8565 0.0000 0.0000 34362.8223 -149239.8820 300.0991 -183602.7043 -149147.1484 299.5589 -85.3233 -49.0402 555969.5270 -19.2232 -19.3586 PRESSURE: 3345400 -63.834 0.205851 -55.7814 0.206766 110.828 -128.819 -55.7812 -128.818 -136.86 GPRESSURE: 3345400 48.0139 57.7764 -16.8247 -24.124 108.838 -84.8781 -90.421 -114.627 -150.972 PRESSAVG: 3345400 3.05944 -70.4412 -39.01 -70.4412 34.3147 4.39346 -39.01 4.39351 6.00577 GPRESSAVG: 3345400 3.85357 -69.7351 -39.3386 -68.5229 33.8372 3.43702 -37.5102 5.26764 5.08541 TIMING: 3345400 CPU: 10002.2, 0.00301457/step Wall: 10002.2, 0.00301457/step, 1.38553 hours remaining, 208.097656 MB of memory in use. ENERGY: 3345400 778.2678 2099.9418 1946.1172 106.0510 -206367.8526 17839.2031 0.0000 0.0000 34351.3863 -149246.8855 299.9992 -183598.2718 -149154.4689 298.8358 -29.9553 1.9602 556560.6821 14.4600 14.2587 PRESSURE: 3345600 -197.235 -187.56 47.3468 -187.559 -111.561 -61.5378 47.3485 -61.5404 -292.046 GPRESSURE: 3345600 -177.291 -123.09 -1.41999 -195.056 -77.8946 -21.5479 160.095 -83.577 -240.119 PRESSAVG: 3345600 -29.19 -28.1293 -27.3589 -28.1292 17.2627 -23.7568 -27.3588 -23.7568 -17.0431 GPRESSAVG: 3345600 -29.9717 -29.2254 -28.7543 -28.5972 16.8077 -22.0881 -26.9824 -23.8942 -15.6289 TIMING: 3345600 CPU: 10002.8, 0.00302117/step Wall: 10002.8, 0.00302117/step, 1.3884 hours remaining, 208.097656 MB of memory in use. ENERGY: 3345600 758.8080 2093.8052 1945.7924 112.6173 -205772.6529 17489.3379 0.0000 0.0000 34000.0331 -149372.2591 296.9307 -183372.2922 -149279.3569 298.7852 -200.2808 -165.1017 557922.1081 -9.6568 -9.5977 PRESSURE: 3345800 184.56 -6.75816 -37.6775 -6.75787 295.193 -7.90555 -37.6789 -7.90754 139.506 GPRESSURE: 3345800 276.725 -66.06 26.0868 -64.1296 270.501 46.9033 -10.2507 -53.3514 167.651 PRESSAVG: 3345800 -20.599 -38.3151 -54.8147 -38.3151 16.1601 -17.0924 -54.8147 -17.0924 -40.2525 GPRESSAVG: 3345800 -20.8829 -35.8809 -53.4952 -40.1771 16.8074 -18.7858 -55.3367 -16.8144 -40.7456 TIMING: 3345800 CPU: 10003.4, 0.00301833/step Wall: 10003.4, 0.00301833/step, 1.38692 hours remaining, 208.097656 MB of memory in use. ENERGY: 3345800 741.5988 2093.8542 1958.3249 112.0580 -206557.9514 18090.5212 0.0000 0.0000 34224.3559 -149337.2384 298.8898 -183561.5943 -149246.1844 298.9416 206.4194 238.2925 556790.3090 -14.8971 -14.9404 PRESSURE: 3346000 52.2542 22.695 -31.8254 22.6969 68.5129 -190.371 -31.8257 -190.37 94.5099 GPRESSURE: 3346000 58.6774 -8.40961 -129.739 75.398 102.061 -132.254 -64.8416 -204.493 152.409 PRESSAVG: 3346000 -30.4569 -54.9509 17.1295 -54.9508 9.90875 -47.2033 17.1295 -47.2034 34.8912 GPRESSAVG: 3346000 -30.1377 -57.933 16.2414 -54.161 9.9095 -48.5126 17.7095 -46.2397 34.3858 TIMING: 3346000 CPU: 10004, 0.00302252/step Wall: 10004, 0.00302252/step, 1.38868 hours remaining, 208.097656 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: 3346000 749.2225 2024.3061 1939.6396 123.7586 -206478.9301 17999.9549 0.0000 0.0000 34345.1550 -149296.8934 299.9448 -183642.0484 -149196.5369 298.6187 71.7590 104.3824 557175.9103 4.7810 4.7192 PRESSURE: 3346200 141.345 100.086 -19.4364 100.087 -34.5524 26.999 -19.437 27.0004 -378.044 GPRESSURE: 3346200 174.629 112.93 -2.31706 153 -40.5612 124.263 -70.9656 -25.5686 -312.345 PRESSAVG: 3346200 8.83549 -10.719 19.775 -10.719 -13.0674 -66.9559 19.775 -66.956 -4.05629 GPRESSAVG: 3346200 8.68805 -9.50648 18.4773 -10.1515 -13.9573 -63.4471 18.2524 -68.6316 -3.49808 TIMING: 3346200 CPU: 10004.6, 0.00302075/step Wall: 10004.6, 0.00302075/step, 1.3877 hours remaining, 208.097656 MB of memory in use. ENERGY: 3346200 753.7432 2123.0562 1960.0495 118.6850 -206037.6166 17747.3799 0.0000 0.0000 34264.6838 -149070.0189 299.2420 -183334.7028 -148979.7303 299.1028 -90.4173 -59.4255 557953.8590 -2.7627 -2.9224 PRESSURE: 3346400 37.4298 -128.177 -32.4021 -128.177 -348.61 196.831 -32.4025 196.83 -364.011 GPRESSURE: 3346400 56.1741 -93.4128 -91.6021 -134.667 -320.608 187.167 14.1703 168.369 -314.783 PRESSAVG: 3346400 41.389 18.0046 10.8335 18.0045 -43.3338 64.6209 10.8334 64.621 -17.3348 GPRESSAVG: 3346400 41.65 19.2979 12.0714 16.5971 -43.8814 62.7439 12.0703 66.4218 -17.3834 TIMING: 3346400 CPU: 10005.2, 0.00301944/step Wall: 10005.2, 0.00301944/step, 1.38693 hours remaining, 208.097656 MB of memory in use. ENERGY: 3346400 798.3175 2120.1387 1914.4718 121.3237 -206076.0329 17574.0834 0.0000 0.0000 34491.8596 -149055.8381 301.2260 -183547.6977 -148962.7753 299.8729 -225.0637 -193.0722 557852.9065 -6.4265 -6.5383 PRESSURE: 3346600 -205.374 157.995 -22.4339 157.995 -264.496 37.7983 -22.4331 37.7996 -235.037 GPRESSURE: 3346600 -180.104 194.05 -56.9253 159.869 -233.106 17.7987 -47.472 61.7224 -187.259 PRESSAVG: 3346600 -22.1714 -9.2887 34.0869 -9.28868 -3.91223 84.4512 34.087 84.4511 -12.99 GPRESSAVG: 3346600 -22.3188 -11.9238 34.9898 -6.98388 -3.3466 85.1392 32.3953 82.5246 -13.7735 TIMING: 3346600 CPU: 10005.8, 0.00301519/step Wall: 10005.8, 0.00301519/step, 1.38481 hours remaining, 208.097656 MB of memory in use. ENERGY: 3346600 746.2048 2078.8789 1955.3161 115.0560 -205789.8864 17400.6924 0.0000 0.0000 34378.6775 -149115.0607 300.2375 -183493.7382 -149022.0335 299.5345 -234.9691 -200.1563 558222.0193 -13.0245 -13.1463 PRESSURE: 3346800 -144.678 -134.094 -124.41 -134.094 -197.481 -150.637 -124.408 -150.637 -188.79 GPRESSURE: 3346800 -121.836 -164.282 -153.725 -158.932 -145.811 -142.522 -166.365 -171.565 -167.965 PRESSAVG: 3346800 0.448643 -52.1058 18.7176 -52.1059 84.6745 -53.0667 18.7177 -53.0667 -31.4752 GPRESSAVG: 3346800 1.3916 -48.1716 17.3513 -54.114 84.2124 -53.476 19.2892 -52.5067 -31.4514 TIMING: 3346800 CPU: 10006.4, 0.00301967/step Wall: 10006.4, 0.00301967/step, 1.3867 hours remaining, 208.097656 MB of memory in use. ENERGY: 3346800 787.0373 2102.0317 1955.2223 121.9223 -206101.8231 17680.5265 0.0000 0.0000 34316.4837 -149138.5992 299.6944 -183455.0830 -149040.5091 300.0596 -176.9830 -145.2039 559025.4811 17.8827 18.0509 PRESSURE: 3347000 -295.91 14.5505 -79.9872 14.5491 60.5297 21.1212 -79.9872 21.121 46.8373 GPRESSURE: 3347000 -264.178 10.5609 -100.224 -39.0189 86.0108 4.48735 -92.3661 26.4252 73.3948 PRESSAVG: 3347000 15.7479 -10.364 -4.65095 -10.3639 16.6318 5.10265 -4.65084 5.10262 -18.7738 GPRESSAVG: 3347000 16.2349 -11.571 -3.964 -9.60903 16.0416 4.10597 -3.50792 4.48919 -19.2551 TIMING: 3347000 CPU: 10007, 0.00303156/step Wall: 10007, 0.00303156/step, 1.39199 hours remaining, 208.097656 MB of memory in use. ENERGY: 3347000 762.9165 2100.6138 1960.4180 118.1699 -206328.1248 17731.9759 0.0000 0.0000 34388.6648 -149265.3658 300.3248 -183654.0306 -149168.6566 299.7244 -62.8477 -34.9242 557445.2513 4.5353 4.3405 PRESSURE: 3347200 36.6783 -129.046 4.99347 -129.045 35.9945 -140.444 4.99282 -140.443 -137.164 GPRESSURE: 3347200 121.439 -166.211 82.8038 -80.434 69.7189 -150.533 54.9724 -206.152 -150.752 PRESSAVG: 3347200 28.0264 -34.0071 -26.0825 -34.0071 -9.7339 -10.3621 -26.0825 -10.3621 -4.98468 GPRESSAVG: 3347200 26.0549 -34.8943 -27.9402 -34.4009 -8.22058 -11.2245 -27.8537 -9.04646 -4.96522 TIMING: 3347200 CPU: 10007.6, 0.00301442/step Wall: 10007.6, 0.00301442/step, 1.38396 hours remaining, 208.097656 MB of memory in use. ENERGY: 3347200 764.2933 2152.5843 1929.4127 125.6785 -206383.5388 17875.9195 0.0000 0.0000 34264.9401 -149270.7104 299.2442 -183535.6505 -149171.7942 299.6969 -21.4971 13.4688 557181.9131 4.4359 4.2897 PRESSURE: 3347400 -9.71935 -84.9136 -136.451 -84.9132 -138.998 166.725 -136.451 166.725 -133.741 GPRESSURE: 3347400 17.5206 -136.155 -92.5539 -43.3199 -88.6248 69.1098 -110.887 208.76 -133.879 PRESSAVG: 3347400 -25.9235 17.0316 -1.8924 17.0317 -7.80842 -29.4723 -1.89239 -29.4723 29.3577 GPRESSAVG: 3347400 -25.8206 16.2562 0.73107 18.4035 -8.42735 -29.9303 -1.93378 -31.2187 29.8815 TIMING: 3347400 CPU: 10008.2, 0.00302405/step Wall: 10008.2, 0.00302405/step, 1.38821 hours remaining, 208.097656 MB of memory in use. ENERGY: 3347400 762.2387 2119.3621 1920.6944 130.5755 -206097.5762 17738.7589 0.0000 0.0000 34422.7881 -149003.1584 300.6228 -183425.9466 -148909.1591 298.9217 -94.1530 -68.3277 557885.8292 -1.4581 -1.4555 PRESSURE: 3347600 182.435 100.311 162.065 100.311 70.0035 182.413 162.066 182.412 268.507 GPRESSURE: 3347600 205.219 27.6318 230.708 34.9527 65.8981 214.087 149.889 156.019 335.063 PRESSAVG: 3347600 32.6851 -1.74048 14.8542 -1.7405 -79.4902 -11.2212 14.8541 -11.2213 17.4425 GPRESSAVG: 3347600 32.9207 -1.94492 14.0686 -1.76656 -79.3025 -9.0958 14.6278 -11.2163 17.0004 TIMING: 3347600 CPU: 10008.8, 0.00302515/step Wall: 10008.8, 0.00302515/step, 1.38855 hours remaining, 208.097656 MB of memory in use. ENERGY: 3347600 775.7842 2075.6189 1942.2143 120.1620 -206160.4288 18033.5042 0.0000 0.0000 34085.8993 -149127.2458 297.6806 -183213.1451 -149030.7553 298.8765 173.6486 202.0599 556910.8881 -9.7875 -9.7938 PRESSURE: 3347800 34.7358 41.3106 -31.3328 41.3109 -99.8586 104.808 -31.3343 104.805 86.561 GPRESSURE: 3347800 42.4388 28.2519 31.9564 28.1803 -37.3972 44.793 -48.7011 106.598 122.585 PRESSAVG: 3347800 -13.7463 -13.2266 29.4372 -13.2266 -43.3329 -2.07193 29.4372 -2.07194 21.7281 GPRESSAVG: 3347800 -13.0884 -14.5209 31.2443 -14.3028 -43.7804 -3.36678 28.2919 -1.54346 21.3633 TIMING: 3347800 CPU: 10009.4, 0.00300757/step Wall: 10009.4, 0.00300757/step, 1.38031 hours remaining, 208.097656 MB of memory in use. ENERGY: 3347800 754.5964 2109.1948 1953.1561 114.0884 -206450.9780 17940.1198 0.0000 0.0000 34295.0159 -149284.8066 299.5069 -183579.8225 -149183.0001 299.3308 7.1461 42.5421 556176.1671 -11.7837 -11.8352 PRESSURE: 3348000 -148.19 -79.9678 3.23883 -79.9666 108.284 -56.5074 3.24008 -56.508 12.3463 GPRESSURE: 3348000 -130.479 -42.1766 -142.479 -82.12 144.935 -97.8745 -20.5864 30.036 46.3884 PRESSAVG: 3348000 -13.6313 -10.8989 -24.7058 -10.899 -24.9979 -12.1033 -24.7057 -12.1033 47.5336 GPRESSAVG: 3348000 -13.0999 -6.91286 -27.4153 -13.4129 -24.6334 -13.8496 -23.8278 -9.83977 46.8173 TIMING: 3348000 CPU: 10010, 0.0030081/step Wall: 10010, 0.0030081/step, 1.38038 hours remaining, 208.097656 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: 3348000 740.6716 2155.9468 1943.7244 117.4689 -206518.7370 17769.9130 0.0000 0.0000 34593.1173 -149197.8949 302.1103 -183791.0123 -149098.7038 299.7788 -9.1867 20.2815 556768.3510 2.9681 3.0280 PRESSURE: 3348200 -85.513 49.7781 172.257 49.7797 -156.889 96.7909 172.257 96.7897 177.595 GPRESSURE: 3348200 -14.2986 -41.1213 143.547 85.2097 -49.7606 176.788 154.182 82.9108 108.142 PRESSAVG: 3348200 24.8318 13.5365 0.711291 13.5366 -38.9377 14.1038 0.711255 14.1038 7.26718 GPRESSAVG: 3348200 23.3048 12.7315 -0.184503 14.4268 -38.1973 15.9474 2.65307 12.833 7.42913 TIMING: 3348200 CPU: 10010.6, 0.00300587/step Wall: 10010.6, 0.00300587/step, 1.37919 hours remaining, 208.097656 MB of memory in use. ENERGY: 3348200 767.3488 2121.5375 1911.3153 127.1394 -206676.9491 18081.8485 0.0000 0.0000 34470.3458 -149197.4139 301.0381 -183667.7597 -149101.3305 300.0551 -21.6023 14.6944 557207.4063 -2.2796 -2.4878 LDB: ============= START OF LOAD BALANCING ============== 10014.1 LDB: ============== END OF LOAD BALANCING =============== 10014.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10014.1 LDB: ============= START OF LOAD BALANCING ============== 10014.4 LDB: Largest compute 4820 load 0.028339 is 24.0% of average load 0.118105 LDB: Average compute 0.001732 is 1.5% of average load 0.118105 LDB: TIME 10014.4 LOAD: AVG 0.118105 MAX 0.215545 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.477 MB LDB: TIME 10014.4 LOAD: AVG 0.118105 MAX 0.215545 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.477 MB LDB: TIME 10014.4 LOAD: AVG 0.118105 MAX 0.215545 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10014.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10014.4 PRESSURE: 3348400 -60.5562 103.983 -59.4591 103.984 -126.322 -89.9581 -59.458 -89.9577 -21.3719 GPRESSURE: 3348400 -62.5608 -18.7571 -107.109 91.0754 -84.5629 -75.4814 0.74794 -53.1149 37.5292 PRESSAVG: 3348400 17.4733 7.77068 -22.0227 7.77067 -12.5644 16.2987 -22.0228 16.2987 -22.2524 GPRESSAVG: 3348400 18.0337 6.67046 -20.4064 8.22842 -12.741 16.3126 -23.3433 15.2876 -23.144 TIMING: 3348400 CPU: 10011.3, 0.00313163/step Wall: 10011.3, 0.00313163/step, 1.43672 hours remaining, 205.429688 MB of memory in use. ENERGY: 3348400 741.0694 2138.5115 1899.5178 113.3203 -206124.1866 17770.4083 0.0000 0.0000 34273.0040 -149188.3553 299.3147 -183461.3593 -149087.8561 299.6759 -69.4167 -36.5315 559296.2980 -5.7812 -5.9504 PRESSURE: 3348600 334.92 -67.4512 99.439 -67.4508 179.708 -188.47 99.4384 -188.47 19.5585 GPRESSURE: 3348600 299.745 -59.7339 34.4025 -104.183 212.312 -151.836 91.5962 -163.223 126.1 PRESSAVG: 3348600 76.64 -27.3831 68.449 -27.383 -60.5766 6.961 68.449 6.96099 33.0248 GPRESSAVG: 3348600 74.9891 -26.7638 68.0229 -27.2308 -59.6495 5.57122 67.7654 7.91454 34.0609 TIMING: 3348600 CPU: 10011.9, 0.0030626/step Wall: 10011.9, 0.0030626/step, 1.40488 hours remaining, 205.429688 MB of memory in use. ENERGY: 3348600 741.3621 2053.3231 1937.0964 115.9798 -206558.4751 18134.4175 0.0000 0.0000 34420.6023 -149155.6939 300.6037 -183576.2962 -149051.8867 299.2640 178.0621 212.7188 557445.4019 16.3627 16.4668 PRESSURE: 3348800 17.0567 -10.6172 -139.096 -10.616 238.477 122.139 -139.095 122.139 207.966 GPRESSURE: 3348800 78.5896 18.1557 -139.94 -13.6766 240.88 82.9768 -45.7796 129.911 237.893 PRESSAVG: 3348800 -7.13848 -52.871 -6.67784 -52.8709 -20.0375 44.2251 -6.67788 44.2251 64.6132 GPRESSAVG: 3348800 -5.72209 -51.8836 -6.43606 -51.8941 -21.0377 44.2484 -5.37645 44.924 64.5979 TIMING: 3348800 CPU: 10012.5, 0.00302107/step Wall: 10012.5, 0.00302107/step, 1.38567 hours remaining, 205.429688 MB of memory in use. ENERGY: 3348800 734.3366 2065.5541 1915.2696 99.1193 -206418.0096 18192.9867 0.0000 0.0000 34305.9351 -149104.8082 299.6023 -183410.7433 -149007.1470 299.7590 154.4999 185.7875 559012.5783 12.4791 12.6127 PRESSURE: 3349000 38.9535 8.46296 81.402 8.46331 -217.669 83.4153 81.4005 83.4115 -158.659 GPRESSURE: 3349000 87.6119 38.9307 85.7672 0.128919 -161.406 117.005 89.4104 54.6876 -167.912 PRESSAVG: 3349000 -5.87125 16.1704 -3.2279 16.1704 -15.4074 21.5552 -3.22795 21.5552 42.7795 GPRESSAVG: 3349000 -5.97302 14.8171 -2.54047 16.1604 -15.5342 21.4343 -3.27551 20.0829 43.167 TIMING: 3349000 CPU: 10013.1, 0.00301522/step Wall: 10013.1, 0.00301522/step, 1.38281 hours remaining, 205.429688 MB of memory in use. ENERGY: 3349000 723.4256 2096.4165 1934.0101 112.5059 -206118.2523 17752.9036 0.0000 0.0000 34266.7059 -149232.2847 299.2597 -183498.9906 -149138.4996 299.1622 -112.4582 -80.5688 556688.4046 7.1669 7.2199 PRESSURE: 3349200 96.6755 -86.3628 47.5743 -86.3626 -230.246 176.294 47.5739 176.292 -114.992 GPRESSURE: 3349200 102.324 -172.878 37.8637 -81.9306 -218.639 104.598 -11.4405 143.923 -37.6625 PRESSAVG: 3349200 -34.8974 -3.72685 -11.4503 -3.72688 4.65314 -2.30656 -11.4504 -2.30661 23.1955 GPRESSAVG: 3349200 -34.1905 -2.09546 -11.7375 -4.10345 3.98095 -2.53561 -13.0687 -1.11856 23.1949 TIMING: 3349200 CPU: 10013.7, 0.00302727/step Wall: 10013.7, 0.00302727/step, 1.38817 hours remaining, 205.429688 MB of memory in use. ENERGY: 3349200 744.5717 2108.7767 1946.3019 106.9781 -205912.0932 17692.4078 0.0000 0.0000 34267.6697 -149045.3873 299.2681 -183313.0570 -148947.9912 298.8236 -82.8542 -51.3260 558051.4248 -2.3496 -2.3382 PRESSURE: 3349400 238.787 27.938 -84.235 27.9394 -123.42 -32.5051 -84.2355 -32.5048 -299.211 GPRESSURE: 3349400 191.215 -56.1404 -67.485 23.0826 -67.8875 -0.230483 -55.7991 -33.3216 -218.176 PRESSAVG: 3349400 51.028 -21.5477 -42.4701 -21.5477 -13.796 0.717709 -42.4701 0.717694 -26.909 GPRESSAVG: 3349400 49.6485 -22.8581 -41.7241 -20.5119 -12.0761 3.67472 -41.4482 0.673101 -27.6646 TIMING: 3349400 CPU: 10014.3, 0.00302859/step Wall: 10014.3, 0.00302859/step, 1.38861 hours remaining, 205.429688 MB of memory in use. ENERGY: 3349400 742.2308 2023.1838 1960.1507 102.0686 -206131.6738 17765.5266 0.0000 0.0000 34431.4133 -149107.1001 300.6981 -183538.5134 -149017.4043 299.6232 -61.2814 -31.6161 557303.0597 3.4410 3.3026 PRESSURE: 3349600 -2.61772 10.3296 -93.1033 10.329 -29.3083 35.8714 -93.1036 35.8707 -152.744 GPRESSURE: 3349600 -9.54353 20.4576 -106.592 29.9493 5.35042 -42.2521 -93.6744 -39.2569 -76.6359 PRESSAVG: 3349600 -27.9211 -36.3254 -16.1529 -36.3254 22.746 13.6632 -16.1528 13.6632 45.8876 GPRESSAVG: 3349600 -27.6777 -35.3509 -18.4298 -37.018 21.7765 10.9475 -16.7952 12.8601 46.3655 TIMING: 3349600 CPU: 10014.9, 0.00302013/step Wall: 10014.9, 0.00302013/step, 1.38456 hours remaining, 205.429688 MB of memory in use. ENERGY: 3349600 739.3658 2065.6578 1945.3828 101.2279 -205936.2188 17669.7863 0.0000 0.0000 34302.0123 -149112.7859 299.5680 -183414.7982 -149016.1634 298.8316 -61.5568 -26.9430 558452.6663 13.5708 13.4881 PRESSURE: 3349800 23.6289 -76.2876 -54.5744 -76.2871 -125.333 37.5438 -54.5745 37.5453 -131.134 GPRESSURE: 3349800 88.5664 -118.69 -123.062 -40.8422 -106.079 45.8888 -59.0442 52.4519 -107.638 PRESSAVG: 3349800 -35.3745 21.7149 0.864407 21.7148 22.0336 -24.633 0.864335 -24.6329 41.2901 GPRESSAVG: 3349800 -36.2602 21.9057 3.04694 19.9799 22.5963 -25.0822 1.01389 -24.2516 41.9531 TIMING: 3349800 CPU: 10015.5, 0.00304458/step Wall: 10015.5, 0.00304458/step, 1.3956 hours remaining, 205.429688 MB of memory in use. ENERGY: 3349800 757.2048 2100.0595 1924.4837 105.8986 -205768.0459 17703.8578 0.0000 0.0000 34105.3745 -149071.1670 297.8507 -183176.5415 -148973.7722 299.1542 -77.6127 -41.7170 557281.1965 9.3164 9.4298 PRESSURE: 3350000 -69.1758 -96.4461 286.302 -96.4446 133.009 163.011 286.302 163.011 271.671 GPRESSURE: 3350000 -66.1092 -24.1713 240.751 -159.486 198.023 172.639 267.273 81.0808 290.562 PRESSAVG: 3350000 -19.1693 -0.27131 27.447 -0.271392 14.0987 18.3114 27.447 18.3114 -36.6483 GPRESSAVG: 3350000 -19.0118 -0.772237 26.8962 1.16436 14.0359 19.4895 28.0839 18.5745 -36.9613 TIMING: 3350000 CPU: 10016.1, 0.00303664/step Wall: 10016.1, 0.00303664/step, 1.39179 hours remaining, 205.429688 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: 3350000 722.3713 2068.0821 1928.5529 107.3113 -206373.5684 17933.3696 0.0000 0.0000 34446.8868 -149166.9944 300.8332 -183613.8812 -149074.7894 300.1231 111.8348 140.8253 558478.8227 -13.9063 -13.9790 PRESSURE: 3350200 46.3091 80.0442 119.422 80.0447 -106.48 -24.352 119.422 -24.3526 9.87803 GPRESSURE: 3350200 81.888 40.1125 159.148 43.551 -51.4089 51.1447 79.3272 -26.1447 18.0096 PRESSAVG: 3350200 -28.1564 -20.1134 61.9305 -20.1134 7.01568 28.0065 61.9304 28.0064 33.3834 GPRESSAVG: 3350200 -27.7729 -22.1252 61.8759 -18.7826 6.16925 28.8503 62.155 26.6455 33.8715 TIMING: 3350200 CPU: 10016.7, 0.00304268/step Wall: 10016.7, 0.00304267/step, 1.39439 hours remaining, 205.429688 MB of memory in use. ENERGY: 3350200 731.8609 2100.5804 1901.4034 110.1281 -206400.8883 17942.0678 0.0000 0.0000 34380.3651 -149234.4826 300.2523 -183614.8477 -149134.6744 299.5578 -16.7644 16.1629 557443.1706 4.0809 4.0893 PRESSURE: 3350400 -100.8 123.802 50.7911 123.802 -73.9154 -62.9917 50.7913 -62.9938 -84.493 GPRESSURE: 3350400 -124.463 124.742 65.8627 109.922 26.1005 -215.695 46.2239 -2.18104 -54.4145 PRESSAVG: 3350400 8.70337 26.2776 26.7886 26.2775 18.514 -6.16512 26.7886 -6.16512 -4.95323 GPRESSAVG: 3350400 8.07228 24.0335 25.8375 25.2931 18.1761 -8.37128 26.9739 -3.29492 -4.24179 TIMING: 3350400 CPU: 10017.3, 0.00302962/step Wall: 10017.3, 0.00302962/step, 1.38824 hours remaining, 205.429688 MB of memory in use. ENERGY: 3350400 770.7505 2169.6670 1932.2159 114.4547 -206102.7332 17783.2104 0.0000 0.0000 34275.8929 -149056.5419 299.3399 -183332.4348 -148958.8347 300.0153 -86.4029 -50.9257 556913.1967 7.4214 7.3355 PRESSURE: 3350600 108.959 90.6233 39.2115 90.624 130.654 -65.8484 39.2114 -65.8477 130.726 GPRESSURE: 3350600 134.306 34.1486 34.9818 165.36 100.745 -113.523 -19.0721 28.2724 239.31 PRESSAVG: 3350600 6.2828 -0.117419 -33.6611 -0.117413 63.519 -61.646 -33.661 -61.6461 -14.4335 GPRESSAVG: 3350600 5.86661 2.3837 -32.5014 0.0579929 63.9369 -60.4488 -34.6933 -62.1738 -14.1625 TIMING: 3350600 CPU: 10017.9, 0.00300968/step Wall: 10017.9, 0.00300968/step, 1.37894 hours remaining, 205.429688 MB of memory in use. ENERGY: 3350600 731.3821 2123.3163 1960.9665 106.7103 -206475.7133 18095.4637 0.0000 0.0000 34262.2709 -149195.6036 299.2209 -183457.8744 -149104.6596 299.3186 123.4464 158.1203 557480.9355 18.4561 18.5470 PRESSURE: 3350800 -123.21 63.3235 87.6847 63.3233 116.004 -128.007 87.6844 -128.009 98.2297 GPRESSURE: 3350800 -28.4327 17.6374 165.792 32.0187 195.873 -156.852 13.6821 -144.835 21.8093 PRESSAVG: 3350800 8.44117 9.70593 18.0536 9.70592 -33.222 -22.7437 18.0535 -22.7438 58.2489 GPRESSAVG: 3350800 8.05329 9.17023 17.8166 9.1807 -33.0413 -25.0064 19.0024 -21.5598 58.4829 TIMING: 3350800 CPU: 10018.5, 0.00303293/step Wall: 10018.5, 0.00303293/step, 1.38942 hours remaining, 205.429688 MB of memory in use. ENERGY: 3350800 749.3328 2110.6534 1911.5667 107.0154 -206414.5110 18025.1916 0.0000 0.0000 34363.5638 -149147.1874 300.1055 -183510.7512 -149050.7852 299.2805 30.3410 63.0833 558938.1918 11.1560 11.1649 PRESSURE: 3351000 -129.441 -67.5666 125.43 -67.5661 -351.635 -155.351 125.431 -155.351 -204.076 GPRESSURE: 3351000 -90.2214 -4.87677 133.251 -97.5479 -340.815 -202.446 60.3855 -142.688 -161.185 PRESSAVG: 3351000 44.2316 54.1738 17.748 54.1738 -43.724 -78.1016 17.7479 -78.1017 -25.2004 GPRESSAVG: 3351000 45.4137 55.3861 16.416 53.6316 -44.4721 -76.0718 17.9718 -80.5177 -25.8372 TIMING: 3351000 CPU: 10019.1, 0.00301304/step Wall: 10019.1, 0.00301304/step, 1.38014 hours remaining, 205.429688 MB of memory in use. ENERGY: 3351000 776.7304 2106.9851 1947.3054 114.4760 -206178.7310 17578.6862 0.0000 0.0000 34338.1193 -149316.4286 299.8833 -183654.5479 -149218.3548 299.2300 -228.3840 -197.4071 557700.8339 -8.2310 -8.2986 PRESSURE: 3351200 -66.271 73.5234 48.3938 73.5227 -147.352 -47.0025 48.3919 -47.0003 -222.465 GPRESSURE: 3351200 -38.6785 64.7359 -22.5006 17.4946 -154.468 22.8505 87.7529 -105.962 -158.104 PRESSAVG: 3351200 59.6885 0.303723 9.74154 0.303672 -19.59 -37.6837 9.74147 -37.6838 -20.3406 GPRESSAVG: 3351200 61.1322 0.142425 11.0082 0.526708 -20.022 -38.0538 9.34121 -37.3392 -21.3853 TIMING: 3351200 CPU: 10019.7, 0.00301877/step Wall: 10019.7, 0.00301877/step, 1.3826 hours remaining, 205.429688 MB of memory in use. ENERGY: 3351200 782.4713 2115.1062 1953.6878 131.5414 -206331.1238 17600.1037 0.0000 0.0000 34389.4413 -149358.7722 300.3315 -183748.2134 -149265.2610 298.7642 -145.3626 -117.0834 556878.5007 6.5859 6.5749 PRESSURE: 3351400 -171.351 -36.5915 -73.2077 -36.589 106.155 283.47 -73.2086 283.468 -137.121 GPRESSURE: 3351400 -172.531 26.0973 -134.611 -4.02723 105.506 261.529 -47.7841 302.421 -46.2097 PRESSAVG: 3351400 53.896 38.3324 -21.5039 38.3324 -43.9367 -7.68032 -21.5039 -7.68037 -18.9427 GPRESSAVG: 3351400 52.7303 36.0881 -21.8889 40.7117 -43.8192 -7.41887 -22.1903 -7.79288 -17.8109 TIMING: 3351400 CPU: 10020.3, 0.00302525/step Wall: 10020.3, 0.00302525/step, 1.38539 hours remaining, 205.429688 MB of memory in use. ENERGY: 3351400 775.4476 2129.4080 1944.5265 107.8197 -206503.2050 17782.7717 0.0000 0.0000 34388.3627 -149374.8688 300.3221 -183763.2315 -149276.4728 298.7423 -67.4387 -37.7450 558612.9679 -2.9945 -2.9666 PRESSURE: 3351600 -41.464 115.732 72.4788 115.733 -56.0799 207.18 72.4794 207.18 89.6315 GPRESSURE: 3351600 20.3609 46.719 83.5679 19.4902 -33.0797 247.465 63.2117 178.922 99.6721 PRESSAVG: 3351600 -43.1532 9.90187 -40.433 9.90186 7.36285 52.2592 -40.433 52.2592 55.9217 GPRESSAVG: 3351600 -43.1856 10.6368 -41.723 7.52635 7.33447 51.9706 -39.597 49.9728 55.0559 TIMING: 3351600 CPU: 10021, 0.00301389/step Wall: 10021, 0.00301389/step, 1.38003 hours remaining, 205.429688 MB of memory in use. ENERGY: 3351600 740.6770 2138.2823 1923.2263 115.8087 -206082.7690 17813.7770 0.0000 0.0000 34123.6128 -149227.3850 298.0100 -183350.9978 -149123.7554 299.4677 -2.6375 28.9844 558654.9620 6.7105 6.4016 PRESSURE: 3351800 28.8155 64.6836 -13.3011 64.6829 86.1222 230.598 -13.3015 230.597 -0.0534408 GPRESSURE: 3351800 44.877 96.3184 -39.7696 21.2 91.9411 214.165 29.1082 181.201 84.2826 PRESSAVG: 3351800 31.9698 19.3565 -18.3852 19.3566 -70.9744 2.74578 -18.3852 2.74592 48.8153 GPRESSAVG: 3351800 31.2308 20.2893 -19.3518 18.9573 -70.8017 3.00762 -17.9876 4.56332 49.9403 TIMING: 3351800 CPU: 10021.6, 0.00303962/step Wall: 10021.6, 0.00303962/step, 1.39164 hours remaining, 205.429688 MB of memory in use. ENERGY: 3351800 769.9682 2155.2584 1914.1896 108.3853 -206187.0034 17821.2959 0.0000 0.0000 34199.5527 -149218.3532 298.6732 -183417.9059 -149117.1231 299.4266 38.2947 73.7002 558541.1809 3.2702 3.4565 PRESSURE: 3352000 -229.119 -71.2468 -10.3121 -71.2477 -6.71186 -110.866 -10.3123 -110.867 54.3092 GPRESSURE: 3352000 -175.771 -44.2498 7.11503 -17.9369 2.5394 37.0281 60.4222 -179.461 71.9954 PRESSAVG: 3352000 -61.9377 10.0505 38.5742 10.0505 -39.7375 29.6092 38.5742 29.6092 39.6079 GPRESSAVG: 3352000 -61.7918 9.24369 40.7836 10.6886 -39.1817 30.9505 36.377 29.3646 39.0477 TIMING: 3352000 CPU: 10022.2, 0.00300743/step Wall: 10022.2, 0.00300743/step, 1.37674 hours remaining, 205.429688 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: 3352000 715.7220 2128.6493 1935.9127 120.4801 -206500.2931 17837.9107 0.0000 0.0000 34524.2813 -149237.3371 301.5091 -183761.6183 -149143.9017 299.3714 -60.5072 -33.7455 556339.2902 -20.6891 -20.6419 PRESSURE: 3352200 -176.313 -118.65 -125.227 -118.65 43.6962 -96.2838 -125.227 -96.2849 -9.78943 GPRESSURE: 3352200 -77.9741 -250.952 -200.612 -21.3403 74.2701 -34.8303 -136.369 -128.564 -29.899 PRESSAVG: 3352200 -73.9707 6.07464 -55.3973 6.07466 22.8633 -2.7526 -55.3972 -2.75266 64.3418 GPRESSAVG: 3352200 -74.2745 6.35744 -54.6169 7.38622 22.8274 -2.98117 -56.4848 -3.40011 64.437 TIMING: 3352200 CPU: 10022.8, 0.00304999/step Wall: 10022.8, 0.00304999/step, 1.39605 hours remaining, 205.429688 MB of memory in use. ENERGY: 3352200 722.6305 2143.0472 1939.0331 99.8064 -205725.0951 17537.7284 0.0000 0.0000 34258.7448 -149024.1047 299.1901 -183282.8495 -148933.3190 299.6620 -47.4687 -11.2010 558276.4661 4.4115 4.3300 LDB: ============= START OF LOAD BALANCING ============== 10026.2 LDB: ============== END OF LOAD BALANCING =============== 10026.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10026.2 LDB: ============= START OF LOAD BALANCING ============== 10026.5 LDB: Largest compute 4820 load 0.026792 is 22.7% of average load 0.118060 LDB: Average compute 0.001719 is 1.5% of average load 0.118060 LDB: TIME 10026.5 LOAD: AVG 0.11806 MAX 0.213011 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.711 MB LDB: TIME 10026.5 LOAD: AVG 0.11806 MAX 0.213011 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.781 MB LDB: TIME 10026.5 LOAD: AVG 0.11806 MAX 0.213011 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.781 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10026.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10026.5 PRESSURE: 3352400 -216.455 -171.757 89.1915 -171.756 -94.533 -92.7032 89.1924 -92.7042 -36.1637 GPRESSURE: 3352400 -199.904 -83.1054 158.338 -191.656 -97.2522 -49.3138 65.9424 -107.784 40.7017 PRESSAVG: 3352400 -12.7676 -36.223 -9.49219 -36.2229 40.0217 -20.4909 -9.49196 -20.4909 -8.16108 GPRESSAVG: 3352400 -11.8845 -33.8905 -10.7047 -37.4689 40.4644 -21.9458 -6.97153 -21.1949 -9.57712 TIMING: 3352400 CPU: 10023.4, 0.00310245/step Wall: 10023.4, 0.00310245/step, 1.41989 hours remaining, 207.011719 MB of memory in use. ENERGY: 3352400 768.0014 2060.3945 1935.8250 102.4229 -205743.5683 17591.9333 0.0000 0.0000 34272.0065 -149012.9847 299.3060 -183284.9912 -148916.9432 299.9252 -115.7172 -85.4848 557837.3418 6.3643 6.3343 PRESSURE: 3352600 -474.673 22.9136 -49.2462 22.9126 -218.35 16.6747 -49.2459 16.673 -451.248 GPRESSURE: 3352600 -474.551 -19.0747 -50.014 30.1812 -156.511 -54.5782 -38.9263 93.8333 -417.299 PRESSAVG: 3352600 -27.7429 -15.1847 13.4182 -15.1847 68.4962 -56.3999 13.4181 -56.4001 -17.9456 GPRESSAVG: 3352600 -28.8826 -17.438 14.3144 -15.645 69.2628 -56.3263 14.3347 -56.0674 -16.9693 TIMING: 3352600 CPU: 10024, 0.00303551/step Wall: 10024, 0.00303551/step, 1.38909 hours remaining, 207.011719 MB of memory in use. ENERGY: 3352600 798.3793 2105.7036 1951.9042 118.9716 -206071.6907 17533.3731 0.0000 0.0000 34398.7152 -149164.6437 300.4125 -183563.3589 -149058.9376 299.7496 -381.4238 -349.4535 557311.4531 7.6025 7.8036 PRESSURE: 3352800 -264.262 -59.4073 -115.112 -59.4073 -271.077 -208.648 -115.111 -208.648 24.613 GPRESSURE: 3352800 -244.819 -35.1677 -161.404 3.82083 -232.815 -95.3362 -85.124 -235.716 74.7534 PRESSAVG: 3352800 -75.7331 7.73137 -14.2445 7.73133 55.8591 -30.9535 -14.2445 -30.9534 21.0098 GPRESSAVG: 3352800 -76.6374 7.83416 -15.9177 9.14738 56.0312 -30.3643 -15.1096 -28.9559 21.4399 TIMING: 3352800 CPU: 10024.6, 0.00305057/step Wall: 10024.6, 0.00305057/step, 1.39581 hours remaining, 207.011719 MB of memory in use. ENERGY: 3352800 789.2968 2099.6258 1934.8249 111.4268 -205816.7685 17466.9724 0.0000 0.0000 34244.4899 -149170.1319 299.0656 -183414.6219 -149074.7012 299.4152 -170.2419 -134.2937 558334.3942 0.3786 0.2779 PRESSURE: 3353000 -144.581 65.9131 72.1723 65.9131 -211.782 -125.156 72.1721 -125.156 -231.94 GPRESSURE: 3353000 -96.4729 -4.89152 122.664 -0.583239 -166.059 -65.4587 -1.40661 -126.553 -226.824 PRESSAVG: 3353000 34.8425 56.3304 11.4966 56.3304 -40.8722 -39.8473 11.4966 -39.8472 -12.3365 GPRESSAVG: 3353000 36.7455 56.1082 12.0083 54.4203 -41.9907 -38.0778 12.1002 -40.7249 -12.8649 TIMING: 3353000 CPU: 10025.2, 0.0030633/step Wall: 10025.2, 0.0030633/step, 1.40146 hours remaining, 207.011719 MB of memory in use. ENERGY: 3353000 755.4362 2110.1043 1937.5324 100.2156 -205840.2048 17573.1699 0.0000 0.0000 34380.7533 -148982.9932 300.2557 -183363.7465 -148885.5841 299.9412 -196.1011 -163.1188 557892.3867 -6.1221 -6.0367 PRESSURE: 3353200 -224.815 -26.1294 23.1516 -26.1306 -171.345 -36.8631 23.1519 -36.8632 -351.038 GPRESSURE: 3353200 -155.363 29.3164 -24.3983 -110.199 -136.315 -37.0025 0.285484 33.4665 -352.349 PRESSAVG: 3353200 -29.3465 -68.4376 -10.2336 -68.4377 0.0508941 17.2929 -10.2336 17.2929 -6.98804 GPRESSAVG: 3353200 -29.359 -67.2022 -11.3806 -67.5523 0.0798465 17.4572 -9.36152 16.27 -7.13872 TIMING: 3353200 CPU: 10025.8, 0.00300935/step Wall: 10025.8, 0.00300935/step, 1.37661 hours remaining, 207.011719 MB of memory in use. ENERGY: 3353200 741.5153 2129.7449 1942.9984 115.9699 -205756.1606 17447.4568 0.0000 0.0000 34220.7308 -149157.7446 298.8582 -183378.4754 -149061.7742 300.0758 -249.0663 -214.6756 557805.4791 -12.0945 -12.1393 PRESSURE: 3353400 98.2938 34.5509 96.0019 34.552 24.7935 -44.8192 96.0015 -44.8189 -43.4733 GPRESSURE: 3353400 162.538 -34.5225 124.327 162.918 70.3697 -77.9806 27.2088 -36.774 -55.8916 PRESSAVG: 3353400 18.4956 -63.5494 3.90999 -63.5494 82.4563 -41.8859 3.90991 -41.8859 -78.7395 GPRESSAVG: 3353400 18.2428 -65.2485 6.80839 -62.8077 82.2459 -43.774 3.61527 -40.1795 -78.3376 TIMING: 3353400 CPU: 10026.4, 0.00301312/step Wall: 10026.4, 0.00301312/step, 1.37817 hours remaining, 207.011719 MB of memory in use. ENERGY: 3353400 740.6410 2140.3870 1931.4244 122.7125 -206301.7074 17801.2420 0.0000 0.0000 34223.2914 -149342.0090 298.8805 -183565.3004 -149251.0028 298.7422 26.5380 59.0055 556912.4903 7.4042 7.3837 PRESSURE: 3353600 135.322 -21.5621 86.8323 -21.5621 161.99 -28.5929 86.8326 -28.5945 55.7536 GPRESSURE: 3353600 195.505 24.4091 64.3055 -11.2861 143.006 -84.1131 51.101 -93.1478 109.608 PRESSAVG: 3353600 17.9834 -14.1258 11.1537 -14.1258 86.6476 -36.1439 11.1536 -36.1438 -47.335 GPRESSAVG: 3353600 18.7798 -14.0448 9.54491 -14.5424 85.938 -36.4345 8.72793 -37.8791 -47.1131 TIMING: 3353600 CPU: 10027, 0.00303209/step Wall: 10027, 0.00303209/step, 1.38668 hours remaining, 207.011719 MB of memory in use. ENERGY: 3353600 724.2724 2135.5953 1936.4017 117.4703 -206303.6646 17928.1758 0.0000 0.0000 34211.9288 -149249.8202 298.7813 -183461.7490 -149158.8473 299.3824 117.6885 149.3729 556834.5157 19.0987 19.2016 PRESSURE: 3353800 -206.941 79.8301 -20.8613 79.8303 27.379 -10.9799 -20.8619 -10.9803 -243.432 GPRESSURE: 3353800 -103.373 64.3 15.4304 63.0238 32.71 -31.7863 0.168083 -28.2802 -250.596 PRESSAVG: 3353800 -14.4575 -20.3691 48.0217 -20.3691 18.2213 -10.5394 48.0217 -10.5394 -18.6577 GPRESSAVG: 3353800 -14.5951 -19.9595 50.2042 -20.9559 18.814 -10.2358 47.7844 -8.58184 -19.392 TIMING: 3353800 CPU: 10027.6, 0.00301822/step Wall: 10027.6, 0.00301822/step, 1.38017 hours remaining, 207.011719 MB of memory in use. ENERGY: 3353800 763.5944 2082.2921 1936.2437 115.1036 -206267.2326 17682.5549 0.0000 0.0000 34361.6557 -149325.7881 300.0889 -183687.4438 -149228.9755 299.1420 -140.9979 -107.0863 559050.9884 -4.9646 -5.0577 PRESSURE: 3354000 -167.523 -11.4331 2.8637 -11.4322 107.619 -5.23122 2.86435 -5.23121 24.4159 GPRESSURE: 3354000 -152.739 -151.553 48.3782 35.4658 165.48 71.6594 -20.9377 -34.9376 49.7981 PRESSAVG: 3354000 45.3373 -35.9953 48.9502 -35.9953 26.6942 -18.0359 48.9502 -18.0358 -82.0878 GPRESSAVG: 3354000 44.033 -34.7592 45.7439 -36.2556 26.4584 -18.8829 51.8688 -17.5615 -80.5514 TIMING: 3354000 CPU: 10028.2, 0.00304306/step Wall: 10028.2, 0.00304306/step, 1.39136 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: 3354000 757.1370 2081.7452 1958.7985 114.7459 -206156.3699 17843.1352 0.0000 0.0000 34233.1936 -149167.6143 298.9670 -183400.8080 -149063.4925 298.8303 -11.8293 20.8462 558203.1223 -3.3521 -3.3534 PRESSURE: 3354200 -11.86 123.702 -176.413 123.704 46.4332 36.64 -176.413 36.6416 131.784 GPRESSURE: 3354200 24.794 164.693 -134.24 59.3023 112.046 36.5085 -222.234 47.513 117.369 PRESSAVG: 3354200 24.6345 -13.5414 -4.95028 -13.5414 -67.7084 -0.885132 -4.9503 -0.885188 20.9543 GPRESSAVG: 3354200 25.5044 -14.0666 -2.80403 -12.8575 -67.8072 -1.20929 -6.8404 -1.20309 20.0014 TIMING: 3354200 CPU: 10028.9, 0.00304902/step Wall: 10028.9, 0.00304902/step, 1.39391 hours remaining, 207.011719 MB of memory in use. ENERGY: 3354200 768.9245 2079.1298 1932.9174 107.3684 -206197.2496 17875.9314 0.0000 0.0000 34365.7918 -149067.1864 300.1250 -183432.9782 -148968.0004 299.0903 55.4525 84.7362 557444.8532 -7.3732 -7.4338 PRESSURE: 3354400 -102.517 -40.1059 -1.69405 -40.1053 -78.2459 4.82765 -1.69445 4.82744 -262.589 GPRESSURE: 3354400 -80.2155 -88.9512 -56.1492 -53.2774 -47.9766 -40.2564 -20.5177 53.3381 -220.096 PRESSAVG: 3354400 5.65042 -17.3361 1.8831 -17.3362 35.3293 -39.4729 1.88309 -39.4729 -40.7267 GPRESSAVG: 3354400 4.94355 -16.9276 0.182222 -17.7788 36.6877 -37.6526 2.73601 -40.652 -41.8816 TIMING: 3354400 CPU: 10029.5, 0.00303991/step Wall: 10029.5, 0.00303991/step, 1.38958 hours remaining, 207.011719 MB of memory in use. ENERGY: 3354400 753.9506 2056.5751 1934.8033 118.4726 -205771.0841 17655.0058 0.0000 0.0000 34346.5132 -148905.7635 299.9566 -183252.2768 -148806.1304 299.3654 -147.7840 -116.0960 558240.3543 0.0843 -0.0835 PRESSURE: 3354600 -78.3332 -23.5127 129.281 -23.5141 220.42 54.874 129.281 54.8746 112.638 GPRESSURE: 3354600 36.7674 24.9908 60.5925 12.5485 187.273 -31.6481 178.835 120.775 118.427 PRESSAVG: 3354600 12.9972 -32.7306 23.0519 -32.7307 69.6625 4.49352 23.0519 4.49351 -69.1393 GPRESSAVG: 3354600 13.4318 -34.3237 22.3331 -31.7578 68.5107 3.17866 25.8708 4.73306 -68.6755 TIMING: 3354600 CPU: 10030.1, 0.00301134/step Wall: 10030.1, 0.00301134/step, 1.37635 hours remaining, 207.011719 MB of memory in use. ENERGY: 3354600 709.2190 2097.3658 1925.4365 113.3976 -206016.4518 17788.9560 0.0000 0.0000 34489.9627 -148892.1142 301.2094 -183382.0769 -148797.1161 300.9300 84.9083 114.1557 555989.1368 4.5068 4.4223 PRESSURE: 3354800 -17.8775 -96.5843 91.3555 -96.5844 302.416 -101.419 91.3535 -101.419 43.7671 GPRESSURE: 3354800 28.4934 -63.9365 31.3448 -70.4447 374.732 -125.045 114.175 -58.4932 42.7976 PRESSAVG: 3354800 -60.7405 10.4043 3.7033 10.4043 67.5906 24.5673 3.70326 24.5671 -11.4694 GPRESSAVG: 3354800 -61.5655 11.045 5.15336 10.5946 67.6406 25.976 0.186508 24.0245 -9.98052 TIMING: 3354800 CPU: 10030.7, 0.00302379/step Wall: 10030.7, 0.00302379/step, 1.38187 hours remaining, 207.011719 MB of memory in use. ENERGY: 3354800 745.3766 2076.6937 1915.4457 119.4198 -206264.0124 18071.5498 0.0000 0.0000 34530.5962 -148804.9306 301.5643 -183335.5268 -148700.9072 300.6444 109.4351 148.6744 557537.3533 -1.5398 -1.3018 PRESSURE: 3355000 102.771 -91.4747 -78.9278 -91.4745 156.548 -122.276 -78.9267 -122.276 -34.7148 GPRESSURE: 3355000 188.209 -115.305 -69.4727 -147.135 108.334 -66.5844 -111.079 -91.019 27.6887 PRESSAVG: 3355000 52.0545 42.7125 -0.438277 42.7125 19.2557 3.05751 -0.43821 3.05749 -27.0216 GPRESSAVG: 3355000 53.5973 44.8195 -1.86456 41.9734 18.9693 2.2476 -1.36489 3.33495 -28.6288 TIMING: 3355000 CPU: 10031.3, 0.0030297/step Wall: 10031.3, 0.0030297/step, 1.3844 hours remaining, 207.011719 MB of memory in use. ENERGY: 3355000 799.9907 1993.5469 1945.8235 109.7203 -206468.5567 18134.5826 0.0000 0.0000 34327.6991 -149157.1935 299.7923 -183484.8927 -149058.5104 300.3838 74.8679 108.0775 559034.7463 14.7629 14.6459 PRESSURE: 3355200 -387.473 125.973 -13.339 125.972 199.912 -9.87312 -13.3385 -9.87277 68.892 GPRESSURE: 3355200 -313.661 206.519 -19.0232 124.342 188.053 7.97945 7.87771 -70.9588 115.107 PRESSAVG: 3355200 -15.9148 23.6774 -10.3696 23.6774 -30.6732 0.0480083 -10.3696 0.048071 47.8628 GPRESSAVG: 3355200 -16.6395 23.9006 -11.0337 23.5064 -30.7033 -0.236147 -8.67679 1.27198 48.6882 TIMING: 3355200 CPU: 10031.9, 0.00302487/step Wall: 10031.9, 0.00302487/step, 1.38203 hours remaining, 207.011719 MB of memory in use. ENERGY: 3355200 733.6514 2085.1950 1921.1541 105.3092 -205895.3680 17801.0589 0.0000 0.0000 34193.3998 -149055.5996 298.6195 -183248.9995 -148965.6588 299.0144 -39.5564 -3.5003 558275.7703 0.4250 0.4485 PRESSURE: 3355400 204.214 61.7484 -2.80331 61.7466 -76.8871 -180.913 -2.80309 -180.91 133.111 GPRESSURE: 3355400 223.608 19.8019 -94.0327 20.6138 -11.266 -130.632 32.9479 -157.233 139.139 PRESSAVG: 3355400 -55.0152 23.2764 0.828793 23.2764 42.3919 -27.7909 0.828732 -27.7908 -26.9988 GPRESSAVG: 3355400 -55.8506 21.8125 4.08437 21.7843 43.1521 -28.3086 -2.22853 -27.2809 -27.7539 TIMING: 3355400 CPU: 10032.5, 0.0030183/step Wall: 10032.5, 0.0030183/step, 1.37886 hours remaining, 207.011719 MB of memory in use. ENERGY: 3355400 741.6894 2087.6690 1939.2696 107.0185 -206275.9373 17967.4593 0.0000 0.0000 34116.1349 -149316.6966 297.9447 -183432.8316 -149216.6913 298.6229 86.8126 117.1601 558664.8853 -13.2074 -13.4842 PRESSURE: 3355600 49.3447 -56.3912 7.44146 -56.3908 -122.64 -22.7619 7.44176 -22.7617 -118.432 GPRESSURE: 3355600 99.9208 -156.879 38.2293 -98.1912 -101.341 -3.40439 -53.9671 -40.8319 -86.1469 PRESSAVG: 3355600 5.38039 -9.18359 4.98621 -9.18349 19.1098 -3.92246 4.98623 -3.92251 35.5453 GPRESSAVG: 3355600 6.39606 -9.74069 1.36818 -7.15433 18.4972 -1.16557 8.10945 -5.98473 35.5287 TIMING: 3355600 CPU: 10033.1, 0.00304002/step Wall: 10033.1, 0.00304002/step, 1.38862 hours remaining, 207.011719 MB of memory in use. ENERGY: 3355600 749.5987 2080.7147 1932.5540 120.0495 -206232.2082 17803.7041 0.0000 0.0000 34276.6970 -149268.8902 299.3469 -183545.5872 -149173.2945 298.9112 -63.9092 -29.1889 556354.9847 20.0118 20.1406 PRESSURE: 3355800 -68.0709 -14.9892 55.1233 -14.9896 -196.403 61.9577 55.1246 61.9587 131.239 GPRESSURE: 3355800 -50.1645 -24.5333 53.5358 -3.66932 -122.94 121.593 151.196 40.2999 143.474 PRESSAVG: 3355800 -35.7373 -30.806 12.7138 -30.806 4.12839 -39.9474 12.7137 -39.9475 38.3969 GPRESSAVG: 3355800 -36.2638 -29.4502 16.8161 -32.3307 4.70302 -42.9786 11.4712 -39.7304 37.9952 TIMING: 3355800 CPU: 10033.7, 0.00302971/step Wall: 10033.7, 0.00302971/step, 1.38374 hours remaining, 207.011719 MB of memory in use. ENERGY: 3355800 747.5686 2089.4323 1959.3937 107.2144 -206012.3115 17622.5192 0.0000 0.0000 34151.4310 -149334.7523 298.2529 -183486.1834 -149234.3522 298.7840 -44.4115 -9.8769 558196.7292 2.2627 2.1448 PRESSURE: 3356000 30.1516 117.14 86.4304 117.141 -208.311 71.3744 86.4307 71.375 71.0249 GPRESSURE: 3356000 102.338 101.713 182.797 120.251 -177.932 65.5214 2.08359 124.558 61.8014 PRESSAVG: 3356000 9.36609 -3.24545 58.8514 -3.24549 0.574534 5.93273 58.8515 5.93266 1.45491 GPRESSAVG: 3356000 9.56882 -4.94191 56.827 -0.790138 0.862493 6.89297 58.2112 7.1841 1.43893 TIMING: 3356000 CPU: 10034.3, 0.00306469/step Wall: 10034.3, 0.00306469/step, 1.39954 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: 3356000 740.0563 2108.4684 1934.5776 119.0168 -206270.3220 17783.1168 0.0000 0.0000 34344.4472 -149240.6388 299.9386 -183585.0860 -149142.8284 298.9606 -35.7115 -4.5973 557302.2373 3.7985 3.9567 PRESSURE: 3356200 151.342 50.7802 -32.6482 50.7813 224.263 -145.057 -32.6495 -145.057 -53.535 GPRESSURE: 3356200 200.471 -33.1384 -61.8876 57.755 258.161 -167.132 -60.4459 -142.11 -42.8908 PRESSAVG: 3356200 -0.0448559 14.5148 -1.41324 14.5148 91.5461 24.4056 -1.41324 24.4056 -50.7135 GPRESSAVG: 3356200 0.437169 15.1797 -1.79227 13.7282 90.1146 24.4545 0.394741 24.4583 -49.9791 TIMING: 3356200 CPU: 10034.9, 0.00304196/step Wall: 10034.9, 0.00304196/step, 1.38899 hours remaining, 207.011719 MB of memory in use. ENERGY: 3356200 792.2922 2061.4522 1917.7889 104.7515 -206349.7138 18052.5678 0.0000 0.0000 34293.2333 -149127.6279 299.4913 -183420.8611 -149036.1906 299.6544 107.3569 138.5804 555779.9720 13.5959 13.5242 LDB: ============= START OF LOAD BALANCING ============== 10038.4 LDB: ============== END OF LOAD BALANCING =============== 10038.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10038.4 LDB: ============= START OF LOAD BALANCING ============== 10038.7 LDB: Largest compute 4820 load 0.027583 is 23.4% of average load 0.118106 LDB: Average compute 0.001727 is 1.5% of average load 0.118106 LDB: TIME 10038.7 LOAD: AVG 0.118106 MAX 0.213164 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.469 MB LDB: TIME 10038.7 LOAD: AVG 0.118106 MAX 0.213164 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.469 MB LDB: TIME 10038.7 LOAD: AVG 0.118106 MAX 0.213164 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.469 MB LDB: ============== END OF LOAD BALANCING =============== 10038.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10038.7 PRESSURE: 3356400 37.2234 -29.2466 27.0081 -29.2479 -90.5438 150.335 27.0086 150.334 -456.454 GPRESSURE: 3356400 86.3284 -43.1387 90.157 6.80394 -56.0511 141.772 -44.0917 134.3 -438.45 PRESSAVG: 3356400 51.1837 -35.4575 -0.560865 -35.4575 9.38366 2.98262 -0.560837 2.98265 -63.1977 GPRESSAVG: 3356400 50.4343 -34.9315 -0.934008 -36.1099 9.73892 3.1919 -0.208572 2.27957 -62.64 TIMING: 3356400 CPU: 10035.5, 0.00310668/step Wall: 10035.5, 0.00310668/step, 1.41837 hours remaining, 205.660156 MB of memory in use. ENERGY: 3356400 758.1393 2094.3549 1921.7785 109.7864 -205644.2892 17653.5614 0.0000 0.0000 34089.0040 -149017.6647 297.7078 -183106.6687 -148923.8354 299.6618 -169.9248 -136.0575 559254.8951 -0.8768 -0.8223 PRESSURE: 3356600 108.232 78.1112 -85.3594 78.111 138.183 36.1919 -85.3589 36.1928 -134.572 GPRESSURE: 3356600 140.35 128.412 -197.754 55.0468 164.595 -101.087 -81.8221 105.066 -96.8747 PRESSAVG: 3356600 76.856 39.9332 -39.8501 39.9333 61.9357 -34.0037 -39.8501 -34.0038 -112.491 GPRESSAVG: 3356600 77.0508 39.1164 -40.6817 41.0121 62.2671 -34.9403 -38.4489 -34.385 -112.017 TIMING: 3356600 CPU: 10036.1, 0.00303139/step Wall: 10036.1, 0.00303139/step, 1.38383 hours remaining, 205.660156 MB of memory in use. ENERGY: 3356600 740.4193 2057.6074 1938.1838 104.2126 -206096.3636 17848.8852 0.0000 0.0000 34532.6055 -148874.4498 301.5818 -183407.0553 -148778.9218 299.4696 37.2809 69.3567 558326.1606 8.7667 9.1004 PRESSURE: 3356800 -196.326 -81.4929 -103.174 -81.4924 -168.216 -42.4465 -103.173 -42.4472 -73.5237 GPRESSURE: 3356800 -216.178 -96.1519 -62.4947 -140.957 -109.215 -75.7947 -139.188 -71.7954 -25.5689 PRESSAVG: 3356800 -8.33542 -19.9171 -12.2027 -19.917 27.0252 -24.209 -12.2026 -24.209 -7.81815 GPRESSAVG: 3356800 -7.54033 -17.6526 -12.557 -22.4236 26.3564 -25.0284 -13.2809 -24.8875 -8.11854 TIMING: 3356800 CPU: 10036.8, 0.00302535/step Wall: 10036.8, 0.00302535/step, 1.3809 hours remaining, 205.660156 MB of memory in use. ENERGY: 3356800 736.6680 2073.7210 1926.6522 119.3395 -205845.2684 17733.6370 0.0000 0.0000 34123.8217 -149131.4289 298.0118 -183255.2506 -149037.7528 299.4088 -146.0219 -116.9874 558320.3285 3.6239 3.5659 PRESSURE: 3357000 -73.0606 209.662 43.3673 209.663 -191.922 -52.207 43.3672 -52.2072 -152.741 GPRESSURE: 3357000 -110.283 139.573 16.8535 252.541 -56.4293 -55.2675 18.4867 -64.3051 -156.431 PRESSAVG: 3357000 7.90144 -46.042 -13.5427 -46.042 19.7397 -31.0717 -13.5427 -31.0717 -5.44089 GPRESSAVG: 3357000 8.52327 -46.9205 -12.1803 -43.4885 21.2486 -30.4116 -14.497 -28.9048 -7.71858 TIMING: 3357000 CPU: 10037.4, 0.00300599/step Wall: 10037.4, 0.00300599/step, 1.3719 hours remaining, 205.660156 MB of memory in use. ENERGY: 3357000 716.4951 2073.5084 1944.5425 109.3657 -205782.6596 17530.8119 0.0000 0.0000 34237.8772 -149170.0589 299.0079 -183407.9360 -149072.0223 298.9512 -139.2412 -107.7145 558664.3576 7.4001 7.3511 PRESSURE: 3357200 159.946 34.6798 115.076 34.6793 96.5157 -84.6917 115.076 -84.692 116.616 GPRESSURE: 3357200 156.881 172.863 131.238 -11.1771 139.906 -65.6803 70.9033 -62.5749 161.535 PRESSAVG: 3357200 6.06388 -45.2716 -15.2686 -45.2717 -33.5422 -22.7153 -15.2685 -22.7152 11.4415 GPRESSAVG: 3357200 5.97044 -45.496 -13.7717 -46.7309 -34.6438 -21.4571 -17.3795 -23.4195 12.7506 TIMING: 3357200 CPU: 10038, 0.00303726/step Wall: 10038, 0.00303726/step, 1.386 hours remaining, 205.660156 MB of memory in use. ENERGY: 3357200 733.0570 2052.5392 1930.8175 119.1517 -206196.3572 17934.9393 0.0000 0.0000 34175.0821 -149250.7704 298.4595 -183425.8525 -149161.6767 298.6026 124.3591 152.7742 559757.0610 -5.3456 -5.3076 PRESSURE: 3357400 251.552 4.93923 -85.2614 4.93899 197.973 -33.6681 -85.2616 -33.6679 266.95 GPRESSURE: 3357400 279.508 33.1641 -102.501 42.9326 250.381 -52.4646 20.9536 -30.5652 289.279 PRESSAVG: 3357400 11.1113 -32.2256 15.5129 -32.2256 -16.0787 -23.0199 15.5128 -23.0199 52.0047 GPRESSAVG: 3357400 10.6221 -31.507 12.0356 -32.8205 -16.1983 -24.1165 19.0785 -22.6849 53.0662 TIMING: 3357400 CPU: 10038.6, 0.00304013/step Wall: 10038.6, 0.00304013/step, 1.38714 hours remaining, 205.660156 MB of memory in use. ENERGY: 3357400 715.0168 2032.0680 1955.5661 98.7169 -206398.6865 18057.7736 0.0000 0.0000 34218.2419 -149321.3032 298.8364 -183539.5451 -149223.8139 298.1039 238.8250 273.0560 557569.5745 15.6791 15.8300 PRESSURE: 3357600 176.102 -21.7721 86.4994 -21.7737 80.9023 175.061 86.4993 175.061 -168.546 GPRESSURE: 3357600 162.876 9.88918 83.0332 -84.5182 57.9784 108.946 89.715 140.816 -49.301 PRESSAVG: 3357600 -22.1959 -3.88397 64.4549 -3.88408 -1.10556 31.1394 64.4549 31.1394 23.9943 GPRESSAVG: 3357600 -22.2585 -3.42324 65.4417 -4.28714 -1.86638 33.2543 62.2226 29.6474 24.3694 TIMING: 3357600 CPU: 10039.2, 0.00305361/step Wall: 10039.2, 0.00305361/step, 1.39313 hours remaining, 205.660156 MB of memory in use. ENERGY: 3357600 749.4639 2021.9768 1957.4277 111.0447 -206314.1602 17974.9329 0.0000 0.0000 34100.4751 -149398.8391 297.8079 -183499.3142 -149299.9353 298.7454 29.4861 57.1845 556570.4658 0.2310 0.0815 PRESSURE: 3357800 -160.209 12.2189 -109.496 12.2195 125.382 22.1015 -109.495 22.1005 115.212 GPRESSURE: 3357800 -23.7316 -45.4039 33.343 81.335 88.8405 -10.2873 -164.254 -51.9098 105.881 PRESSAVG: 3357800 -3.25939 5.64127 27.5115 5.64126 0.145004 70.2972 27.5114 70.2972 20.1202 GPRESSAVG: 3357800 -2.79575 5.20271 28.456 8.88757 0.945313 67.1892 29.8484 71.7253 19.2207 TIMING: 3357800 CPU: 10039.8, 0.00303193/step Wall: 10039.8, 0.00303193/step, 1.38306 hours remaining, 205.660156 MB of memory in use. ENERGY: 3357800 754.1056 2062.3086 1934.0116 106.6464 -206193.2204 17960.6090 0.0000 0.0000 34165.9252 -149209.6141 298.3795 -183375.5392 -149114.2537 299.1863 26.7951 56.9966 558375.4005 5.6686 5.7901 PRESSURE: 3358000 -93.2463 -103.385 87.0215 -103.385 283.874 -68.2558 87.0213 -68.2554 -144.809 GPRESSURE: 3358000 -86.6421 -63.7302 154.687 15.8219 312.7 3.96756 55.3944 -66.5749 -88.3512 PRESSAVG: 3358000 -30.8252 -61.3023 30.7301 -61.3023 5.57048 -6.51973 30.73 -6.5199 27.9309 GPRESSAVG: 3358000 -31.17 -60.5763 31.1532 -63.3576 6.22455 -5.86917 31.0448 -7.00778 27.7424 TIMING: 3358000 CPU: 10040.4, 0.00304695/step Wall: 10040.4, 0.00304695/step, 1.38975 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: 3358000 762.3971 2088.6899 1928.8537 113.4882 -206194.1894 17821.6207 0.0000 0.0000 34080.2734 -149398.8664 297.6315 -183479.1398 -149304.2951 298.9658 15.2729 45.9023 558235.6768 0.8921 0.9323 PRESSURE: 3358200 -137.147 78.0652 -64.2542 78.0638 -104.592 65.339 -64.2543 65.3397 -84.9898 GPRESSURE: 3358200 -147.48 154.847 -82.644 6.72156 -46.2533 108.975 -81.2135 35.2157 -40.5484 PRESSAVG: 3358200 -18.7096 -52.5417 4.07388 -52.5417 59.9963 -15.868 4.07389 -15.868 14.0572 GPRESSAVG: 3358200 -18.1954 -54.0071 3.71312 -52.1869 59.7767 -15.1113 3.25246 -15.7959 13.4522 TIMING: 3358200 CPU: 10041, 0.00303727/step Wall: 10041, 0.00303727/step, 1.38516 hours remaining, 205.660156 MB of memory in use. ENERGY: 3358200 717.5024 2107.1553 1913.0487 113.7693 -205936.0395 17645.1664 0.0000 0.0000 34172.7888 -149266.6085 298.4395 -183439.3973 -149169.3051 298.8317 -108.9096 -78.0939 558919.6916 18.4480 18.3445 PRESSURE: 3358400 59.0016 -111.206 -10.8273 -111.206 -175.395 -35.7991 -10.8265 -35.8002 -41.5725 GPRESSURE: 3358400 90.6761 -116.166 -26.2244 -139.838 -122.797 -2.17631 -64.0084 -54.8854 -25.8956 PRESSAVG: 3358400 -8.46522 -8.04044 12.076 -8.0405 8.78571 -34.2102 12.076 -34.2103 6.17204 GPRESSAVG: 3358400 -9.87918 -9.39635 12.3413 -6.74636 9.80623 -32.8394 12.7158 -35.2569 6.98114 TIMING: 3358400 CPU: 10041.6, 0.00302964/step Wall: 10041.6, 0.00302964/step, 1.38152 hours remaining, 205.660156 MB of memory in use. ENERGY: 3358400 760.4569 2052.5203 1945.3555 120.2753 -206292.2011 17841.6563 0.0000 0.0000 34343.7651 -149228.1718 299.9326 -183571.9369 -149129.5666 299.4390 -52.6553 -19.3390 559381.3740 2.1642 2.3027 PRESSURE: 3358600 -134.188 -35.3749 2.48024 -35.3744 28.3376 203.985 2.48256 203.985 -24.6593 GPRESSURE: 3358600 -97.4283 -29.8045 -10.3937 -49.8427 36.0385 79.7245 52.783 256.882 33.347 PRESSAVG: 3358600 7.52973 -23.0253 -2.93828 -23.0253 -1.37557 30.0766 -2.93835 30.0765 1.77193 GPRESSAVG: 3358600 8.2098 -20.8714 -1.47217 -25.3611 -2.20331 27.6139 -2.10404 31.1084 2.16942 TIMING: 3358600 CPU: 10042.2, 0.00305553/step Wall: 10042.2, 0.00305553/step, 1.39315 hours remaining, 205.660156 MB of memory in use. ENERGY: 3358600 720.6773 2124.2446 1958.7834 107.4699 -206046.6669 17635.7857 0.0000 0.0000 34372.3570 -149127.3490 300.1823 -183499.7060 -149032.3430 299.4989 -43.5033 -9.3476 557577.9453 2.6420 2.7253 PRESSURE: 3358800 33.1751 28.4167 11.4257 28.4161 83.8575 -33.7875 11.4271 -33.7886 -19.6995 GPRESSURE: 3358800 53.1864 13.744 -42.4738 -13.6005 103.148 -47.7622 -60.9335 -87.0586 41.8544 PRESSAVG: 3358800 -61.6277 -0.281129 -13.7569 -0.28119 27.4377 -7.1119 -13.757 -7.11192 4.52707 GPRESSAVG: 3358800 -60.6534 1.88365 -16.3184 -1.33701 27.2286 -5.47008 -13.6081 -8.12302 4.29533 TIMING: 3358800 CPU: 10042.8, 0.00303885/step Wall: 10042.8, 0.00303885/step, 1.38538 hours remaining, 205.660156 MB of memory in use. ENERGY: 3358800 735.6361 2172.3527 1934.6638 107.1875 -206286.7577 17942.0003 0.0000 0.0000 34236.4183 -149158.4989 298.9952 -183394.9173 -149066.8192 299.5282 32.4444 66.0629 557243.2424 -9.8876 -9.7098 PRESSURE: 3359000 -44.7058 31.7752 -124.446 31.7743 13.1539 107.021 -124.445 107.023 -264.938 GPRESSURE: 3359000 -47.404 47.4699 -176.669 37.9391 113.642 114.495 -4.27109 129.858 -260.91 PRESSAVG: 3359000 -16.5615 63.2657 30.5843 63.2657 -22.7845 30.6883 30.5844 30.6882 8.57153 GPRESSAVG: 3359000 -16.3682 62.8533 31.5059 63.3965 -22.5336 30.7625 32.9968 30.9926 8.50576 TIMING: 3359000 CPU: 10043.4, 0.00304734/step Wall: 10043.4, 0.00304734/step, 1.38908 hours remaining, 205.660156 MB of memory in use. ENERGY: 3359000 730.0602 2090.9193 1924.3381 111.6420 -205787.2354 17650.6461 0.0000 0.0000 34223.9832 -149055.6465 298.8866 -183279.6297 -148957.9980 299.8062 -98.8299 -64.8909 559462.2931 -10.2582 -10.1320 PRESSURE: 3359200 88.6726 -78.2283 125.181 -78.2278 85.8079 38.9863 125.181 38.9864 183.563 GPRESSURE: 3359200 121.971 -77.0763 136.956 -76.7862 80.1575 51.4412 107.139 81.9323 243.719 PRESSAVG: 3359200 -6.15332 11.5395 -53.5035 11.5395 39.257 -24.0533 -53.5035 -24.0533 -34.2541 GPRESSAVG: 3359200 -6.93755 10.2238 -51.8204 13.6573 38.782 -24.5594 -57.0842 -24.6626 -32.7294 TIMING: 3359200 CPU: 10044, 0.00303429/step Wall: 10044, 0.00303429/step, 1.38296 hours remaining, 205.660156 MB of memory in use. ENERGY: 3359200 730.4849 2066.6825 1926.6329 93.5818 -206384.4924 17982.3927 0.0000 0.0000 34517.9029 -149066.8146 301.4534 -183584.7175 -148968.1252 299.0708 119.3478 148.6159 557715.7242 -0.3835 -0.2950 PRESSURE: 3359400 88.4476 59.2107 -161.683 59.2101 130.736 25.4467 -161.683 25.446 -1.94858 GPRESSURE: 3359400 92.7617 107.394 -180.452 44.3762 108.957 -130.778 -184.415 11.5882 109.4 PRESSAVG: 3359400 -9.80969 -33.2093 12.5517 -33.2093 57.9468 18.7301 12.5516 18.7302 -42.8268 GPRESSAVG: 3359400 -9.33688 -34.4626 12.3696 -35.8572 58.0765 16.1385 12.9959 22.0686 -43.4199 TIMING: 3359400 CPU: 10044.7, 0.0030462/step Wall: 10044.7, 0.0030462/step, 1.38822 hours remaining, 205.660156 MB of memory in use. ENERGY: 3359400 768.2180 2120.1928 1964.1084 106.6290 -206472.9599 18081.7251 0.0000 0.0000 34272.3216 -149159.7650 299.3087 -183432.0867 -149066.0814 299.8421 72.4118 103.7063 558111.9915 1.7701 1.7732 PRESSURE: 3359600 -147.41 -54.8473 -92.8383 -54.8476 -170.919 44.8154 -92.8387 44.8153 -81.423 GPRESSURE: 3359600 -129.165 -27.4854 -113.935 -54.9041 -97.3297 0.687031 -55.67 -16.5762 -75.4278 PRESSAVG: 3359600 2.76657 -20.0027 45.7509 -20.0026 -33.1977 -0.748425 45.7508 -0.748357 33.183 GPRESSAVG: 3359600 3.97375 -18.6389 46.6847 -17.3762 -33.6582 1.96053 44.3461 -3.8636 32.5215 TIMING: 3359600 CPU: 10045.3, 0.00304936/step Wall: 10045.3, 0.00304936/step, 1.38949 hours remaining, 205.660156 MB of memory in use. ENERGY: 3359600 748.6084 2065.5706 1928.3516 113.1019 -206061.9819 17848.9678 0.0000 0.0000 34101.0805 -149256.3011 297.8132 -183357.3817 -149163.3574 299.2043 -133.2507 -100.6409 558764.6840 0.9173 0.9457 PRESSURE: 3359800 107.171 167.34 99.2336 167.338 77.2289 -7.21144 99.2348 -7.21263 -190.171 GPRESSURE: 3359800 112.849 200.816 112.89 139.476 81.5641 17.885 118.67 8.4416 -91.0592 PRESSAVG: 3359800 -39.8119 -2.02873 70.873 -2.0288 2.43929 -22.514 70.873 -22.514 2.38425 GPRESSAVG: 3359800 -40.2004 -2.32549 69.5157 -3.95252 3.62425 -20.9798 71.0779 -23.4669 1.51313 TIMING: 3359800 CPU: 10045.9, 0.00307504/step Wall: 10045.9, 0.00307504/step, 1.40102 hours remaining, 205.660156 MB of memory in use. ENERGY: 3359800 739.1263 2092.3955 1944.6191 102.5143 -206245.4903 17936.6953 0.0000 0.0000 34280.7597 -149149.3801 299.3824 -183430.1399 -149050.8818 298.8560 -1.9236 34.4513 557860.1421 -11.6628 -11.6877 PRESSURE: 3360000 -107.331 -59.3522 25.9625 -59.3521 64.6906 -109.578 25.9639 -109.577 -21.3978 GPRESSURE: 3360000 -56.851 -54.4615 82.4562 -89.8049 114.514 -89.0541 -17.8634 -134.203 -28.3876 PRESSAVG: 3360000 4.42917 33.3024 -12.9874 33.3024 66.3322 -48.5009 -12.9874 -48.5009 -51.9102 GPRESSAVG: 3360000 3.21274 32.3773 -13.5367 34.5167 66.1465 -48.233 -9.69289 -48.1939 -51.0672 TIMING: 3360000 CPU: 10046.5, 0.00309115/step Wall: 10046.5, 0.00309115/step, 1.40819 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: 3360000 758.6493 2068.8215 1936.6624 111.8525 -206023.3937 17736.1102 0.0000 0.0000 34250.4169 -149160.8809 299.1174 -183411.2978 -149071.6197 299.7670 -21.3462 9.7586 558485.9176 6.2837 6.0974 PRESSURE: 3360200 36.5938 -151.98 85.9554 -151.98 -21.916 -83.5195 85.9554 -83.5188 -46.2189 GPRESSURE: 3360200 65.3797 -233.814 68.6951 -157.361 -1.74336 -116.415 -0.406996 -25.0387 9.4648 PRESSAVG: 3360200 64.3275 20.7697 23.7171 20.7697 37.4977 -103.2 23.7171 -103.2 -33.857 GPRESSAVG: 3360200 64.2379 20.5196 23.3787 20.0378 37.8059 -106.022 22.6189 -100.537 -34.1806 TIMING: 3360200 CPU: 10047.1, 0.00306492/step Wall: 10047.1, 0.00306492/step, 1.39607 hours remaining, 205.660156 MB of memory in use. ENERGY: 3360200 706.1653 2125.5519 1932.7902 112.4503 -206150.3786 17679.1180 0.0000 0.0000 34426.7169 -149167.5859 300.6571 -183594.3028 -149065.6910 299.0697 -10.5137 24.3670 557313.0300 22.6561 22.6211 LDB: ============= START OF LOAD BALANCING ============== 10050.5 LDB: ============== END OF LOAD BALANCING =============== 10050.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10050.5 LDB: ============= START OF LOAD BALANCING ============== 10050.8 LDB: Largest compute 4820 load 0.027632 is 23.4% of average load 0.118047 LDB: Average compute 0.001742 is 1.5% of average load 0.118047 LDB: TIME 10050.9 LOAD: AVG 0.118047 MAX 0.209589 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.93 MB LDB: TIME 10050.9 LOAD: AVG 0.118047 MAX 0.209589 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: TIME 10050.9 LOAD: AVG 0.118047 MAX 0.209589 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10050.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10050.9 PRESSURE: 3360400 -103.218 39.9572 3.88311 39.9566 -2.82149 -70.3559 3.88175 -70.3565 -103.382 GPRESSURE: 3360400 -75.1554 56.7229 5.84517 19.6131 94.77 -146.13 -41.5193 -18.0956 -125.724 PRESSAVG: 3360400 -7.98314 12.2161 10.347 12.2161 -17.0473 -93.2157 10.347 -93.2157 -19.6803 GPRESSAVG: 3360400 -7.29462 14.6078 9.16298 13.2521 -17.0249 -92.6376 12.0498 -93.4093 -19.7551 TIMING: 3360400 CPU: 10047.7, 0.00310782/step Wall: 10047.7, 0.00310782/step, 1.41544 hours remaining, 205.871094 MB of memory in use. ENERGY: 3360400 703.3705 2113.4387 1935.5656 105.9547 -205936.4357 17599.3961 0.0000 0.0000 34445.8002 -149032.9098 300.8237 -183478.7100 -148937.3198 300.1054 -69.8071 -35.3699 558804.1069 -14.9036 -14.6916 PRESSURE: 3360600 -248.366 14.9616 39.0485 14.9628 20.1104 34.5941 39.0481 34.5952 -148.086 GPRESSURE: 3360600 -188.505 28.1273 7.92477 -23.5479 11.9268 73.8832 -15.412 65.9233 -95.7239 PRESSAVG: 3360600 -60.2851 4.16621 -12.9869 4.16617 7.58258 -56.6986 -12.9869 -56.6987 21.7747 GPRESSAVG: 3360600 -59.824 0.40688 -11.7074 5.27428 6.56101 -57.6785 -13.5261 -56.6027 21.8303 TIMING: 3360600 CPU: 10048.3, 0.00302583/step Wall: 10048.3, 0.00302583/step, 1.37793 hours remaining, 205.871094 MB of memory in use. ENERGY: 3360600 694.0522 2120.1539 1937.7949 106.7357 -205840.8849 17705.8518 0.0000 0.0000 34180.3798 -149095.9167 298.5058 -183276.2965 -148993.8993 299.8843 -125.4473 -90.7675 559329.9533 -10.3093 -10.4776 PRESSURE: 3360800 -49.0592 8.75322 -102.494 8.75394 -149.231 -118.288 -102.495 -118.289 214.669 GPRESSURE: 3360800 -29.8836 61.5776 -80.4894 52.9536 -71.5265 -117.523 -106.341 -122.304 199.358 PRESSAVG: 3360800 -1.81564 7.79016 5.85971 7.79019 26.1782 -66.1123 5.8596 -66.1123 -8.17885 GPRESSAVG: 3360800 -1.67182 9.0841 6.8811 7.72584 26.5047 -64.7326 3.93834 -66.0631 -8.69167 TIMING: 3360800 CPU: 10048.9, 0.00304577/step Wall: 10048.9, 0.00304577/step, 1.38684 hours remaining, 205.871094 MB of memory in use. ENERGY: 3360800 727.9497 2057.2454 1943.7496 106.5169 -205787.0624 17662.7015 0.0000 0.0000 34284.9973 -149003.9019 299.4194 -183288.8992 -148899.9154 299.5368 5.4594 32.6493 557951.2584 5.3946 5.3804 PRESSURE: 3361000 -77.5122 22.7383 72.6773 22.7375 -107.203 -58.2838 72.6771 -58.2833 31.9208 GPRESSURE: 3361000 -65.6003 -125.567 26.3215 71.5399 -65.9479 57.3806 123.895 -54.8376 89.3293 PRESSAVG: 3361000 -3.12722 42.559 22.6607 42.5588 -78.7872 -101.209 22.6607 -101.209 69.4357 GPRESSAVG: 3361000 -3.34319 41.9319 22.7503 41.694 -77.9738 -99.9514 21.8751 -101.401 69.5012 TIMING: 3361000 CPU: 10049.5, 0.00301097/step Wall: 10049.5, 0.00301097/step, 1.37083 hours remaining, 205.871094 MB of memory in use. ENERGY: 3361000 726.4705 2134.7642 1943.6360 113.9402 -206037.9571 17665.1819 0.0000 0.0000 34385.3789 -149068.5854 300.2961 -183453.9643 -148977.1268 299.8280 -50.9315 -14.0729 557627.6027 -4.1596 -3.9386 PRESSURE: 3361200 -269.447 -132.288 52.0153 -132.289 -104.507 54.4468 52.0138 54.4457 -265.683 GPRESSURE: 3361200 -202.935 -59.8271 58.6116 -144.12 -75.2246 44.1933 41.6252 84.5789 -255.165 PRESSAVG: 3361200 10.9418 -21.7563 6.44143 -21.7563 -94.2323 -20.3179 6.4415 -20.3179 83.9936 GPRESSAVG: 3361200 11.0009 -21.9808 7.76022 -22.8464 -94.5737 -21.8028 6.21373 -19.9265 84.5955 TIMING: 3361200 CPU: 10050.1, 0.00299695/step Wall: 10050.1, 0.00299695/step, 1.36428 hours remaining, 205.871094 MB of memory in use. ENERGY: 3361200 741.6479 2089.7060 1968.3898 114.4138 -205654.6618 17415.6874 0.0000 0.0000 34291.5178 -149033.2992 299.4764 -183324.8170 -148932.4951 299.4147 -213.2125 -177.7749 558276.4857 0.2344 0.3409 PRESSURE: 3361400 -86.3388 111.207 10.2683 111.208 -223.625 -50.3324 10.2678 -50.3332 14.4545 GPRESSURE: 3361400 -8.87044 118.81 -0.339757 87.527 -200.139 -48.5037 -15.2493 -9.64611 11.6834 PRESSAVG: 3361400 33.4031 16.1734 -25.7402 16.1736 -53.5024 4.42932 -25.7402 4.42943 41.328 GPRESSAVG: 3361400 33.3476 17.6462 -27.5552 16.8634 -54.0014 4.92159 -24.1429 4.96246 41.6542 TIMING: 3361400 CPU: 10050.7, 0.00299112/step Wall: 10050.7, 0.00299112/step, 1.36146 hours remaining, 205.871094 MB of memory in use. ENERGY: 3361400 776.9896 2119.8284 1967.9142 122.0413 -206267.2623 17897.4954 0.0000 0.0000 34229.6264 -149153.3669 298.9358 -183382.9933 -149054.6597 299.6156 -98.5030 -65.7752 558106.5810 7.0762 7.0001 PRESSURE: 3361600 -27.8425 41.1505 -41.1127 41.151 -59.2825 115.828 -41.1118 115.829 -13.6391 GPRESSURE: 3361600 7.16838 13.3148 -0.981993 28.9258 -7.80009 131.763 -90.8692 99.0499 8.32839 PRESSAVG: 3361600 -34.7171 10.3875 -46.9012 10.3876 -40.6674 56.3648 -46.9012 56.3649 29.6813 GPRESSAVG: 3361600 -35.1109 10.2776 -46.1677 10.0728 -39.8726 56.3936 -48.747 54.2219 29.2964 TIMING: 3361600 CPU: 10051.3, 0.00300328/step Wall: 10051.3, 0.00300328/step, 1.36683 hours remaining, 205.871094 MB of memory in use. ENERGY: 3361600 747.8781 2076.1698 1955.0102 118.2589 -206067.5363 17805.8479 0.0000 0.0000 34244.0976 -149120.2739 299.0622 -183364.3714 -149023.5545 299.6272 -33.5881 2.5656 556622.3693 -15.2344 -15.2290 PRESSURE: 3361800 279.898 -12.189 -33.6507 -12.188 138.964 18.2472 -33.6529 18.246 -80.105 GPRESSURE: 3361800 281.742 34.3308 16.117 -79.0153 134.268 4.89635 -9.65515 95.7501 13.2218 PRESSAVG: 3361800 17.5232 47.8392 19.3778 47.8394 -20.8355 38.8943 19.3777 38.8944 64.4264 GPRESSAVG: 3361800 18.4578 50.1352 19.3952 50.9672 -21.2341 39.9636 21.6705 38.4788 64.3124 TIMING: 3361800 CPU: 10051.9, 0.00302129/step Wall: 10051.9, 0.00302129/step, 1.37485 hours remaining, 205.871094 MB of memory in use. ENERGY: 3361800 756.1094 2112.0381 1925.2029 120.5695 -206395.9435 18094.0874 0.0000 0.0000 34406.5490 -148981.3873 300.4810 -183387.9363 -148885.3533 299.8902 112.9192 143.0773 558307.0244 20.3714 20.5120 PRESSURE: 3362000 -127.715 -6.02914 51.5443 -6.02971 -136.75 8.93929 51.5429 8.94111 30.0773 GPRESSURE: 3362000 -106.283 54.4571 136.496 -21.4917 -77.2361 2.39561 0.258625 -116.167 55.8361 PRESSAVG: 3362000 -17.36 20.4996 -54.4943 20.4996 1.53122 34.1587 -54.4942 34.1587 26.0604 GPRESSAVG: 3362000 -18.1496 19.6171 -56.1914 17.1338 1.20111 32.6744 -54.7682 33.8128 27.0109 TIMING: 3362000 CPU: 10052.6, 0.00305083/step Wall: 10052.6, 0.00305083/step, 1.38813 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: 3362000 739.1096 2179.9483 1940.6721 130.2180 -205583.2574 17532.0567 0.0000 0.0000 34320.6098 -148740.6428 299.7304 -183061.2527 -148639.1734 300.0594 -78.1293 -42.5609 559087.4997 3.4105 3.3541 PRESSURE: 3362200 73.0871 -99.5329 110.421 -99.5336 87.1288 -35.479 110.422 -35.4786 27.0678 GPRESSURE: 3362200 153.791 -141.599 22.1518 -83.5301 143.882 27.596 69.9835 -95.5952 -2.752 PRESSAVG: 3362200 -25.4322 -5.15798 -15.4456 -5.15809 7.04599 13.1489 -15.4454 13.149 25.6478 GPRESSAVG: 3362200 -25.9534 -5.82695 -15.6336 -5.80133 7.83432 12.3285 -17.6304 15.699 24.8403 TIMING: 3362200 CPU: 10053.2, 0.0030439/step Wall: 10053.2, 0.0030439/step, 1.38481 hours remaining, 205.871094 MB of memory in use. ENERGY: 3362200 738.4950 2191.0876 1931.8184 125.0140 -205929.3367 17839.2032 0.0000 0.0000 34452.6713 -148651.0472 300.8837 -183103.7185 -148562.9296 300.8436 62.4279 98.3072 558375.0764 2.4205 2.2404 PRESSURE: 3362400 7.98546 -30.2623 47.6937 -30.261 -7.07948 -59.9938 47.693 -59.9935 240.761 GPRESSURE: 3362400 0.382667 -35.0369 19.9046 -93.0671 44.3036 19.9444 -19.5912 -81.368 298.859 PRESSAVG: 3362400 5.06048 -0.105632 5.98727 -0.105688 -33.2727 -31.8141 5.98738 -31.8141 14.3768 GPRESSAVG: 3362400 4.73867 -1.77192 7.32911 0.819354 -34.1885 -30.8278 6.03545 -34.4807 14.7687 TIMING: 3362400 CPU: 10053.8, 0.00305116/step Wall: 10053.8, 0.00305116/step, 1.38794 hours remaining, 205.871094 MB of memory in use. ENERGY: 3362400 778.4039 2123.3420 1914.1637 128.6289 -206187.6164 18054.9054 0.0000 0.0000 34533.6068 -148654.5657 301.5906 -183188.1725 -148553.9747 299.8413 80.5558 114.5152 559290.6845 -4.6118 -4.8937 PRESSURE: 3362600 -256.786 -164.945 -36.5108 -164.945 -81.4789 -74.9725 -36.508 -74.9709 -183.257 GPRESSURE: 3362600 -210.833 -130.743 43.61 -82.3557 -79.1399 -96.0852 -10.6174 -81.1777 -122.297 PRESSAVG: 3362600 -16.5823 -12.3641 -57.3817 -12.3642 3.44698 9.68755 -57.3817 9.68748 -23.6724 GPRESSAVG: 3362600 -15.5327 -10.7126 -56.8162 -12.2696 3.13623 11.8017 -55.3265 9.67333 -24.2875 TIMING: 3362600 CPU: 10054.4, 0.00304683/step Wall: 10054.4, 0.00304683/step, 1.3858 hours remaining, 205.871094 MB of memory in use. ENERGY: 3362600 773.4734 2124.4776 1942.8814 109.8581 -205430.5979 17414.2732 0.0000 0.0000 34346.2659 -148719.3682 299.9545 -183065.6342 -148620.3517 300.3343 -173.8408 -137.4233 559176.7231 -12.2692 -12.2280 PRESSURE: 3362800 -152.105 150.11 -34.5045 150.11 77.1276 -23.3451 -34.5049 -23.3472 -35.3089 GPRESSURE: 3362800 -117.852 177.761 -41.2886 117.405 102.405 -3.80012 -86.4464 11.3635 13.1611 PRESSAVG: 3362800 10.1475 9.22313 16.2987 9.22315 5.43049 -36.4486 16.2986 -36.4487 -25.1669 GPRESSAVG: 3362800 9.04295 9.22453 16.9853 8.6121 5.57009 -38.3107 13.2636 -35.0091 -23.904 TIMING: 3362800 CPU: 10055, 0.00302513/step Wall: 10055, 0.00302513/step, 1.37576 hours remaining, 205.871094 MB of memory in use. ENERGY: 3362800 774.0785 2156.8132 1953.3837 123.1488 -206037.2056 17836.5576 0.0000 0.0000 34268.7304 -148924.4934 299.2773 -183193.2238 -148822.1845 299.9956 -36.7623 -0.7619 559167.1556 -3.1963 -3.0970 PRESSURE: 3363000 -206.578 121.171 17.4507 121.171 -209.786 -96.5501 17.45 -96.5487 -25.9222 GPRESSURE: 3363000 -138.439 151.008 -41.4329 10.5581 -192.227 -127.656 59.449 -46.216 5.9458 PRESSAVG: 3363000 -17.2792 70.3925 -49.3796 70.3926 26.7148 13.3989 -49.3797 13.3991 -21.3015 GPRESSAVG: 3363000 -16.4292 69.5224 -47.3196 69.8365 27.9335 12.4396 -49.1722 14.2195 -23.3335 TIMING: 3363000 CPU: 10055.6, 0.00302456/step Wall: 10055.6, 0.00302456/step, 1.37533 hours remaining, 205.871094 MB of memory in use. ENERGY: 3363000 773.4282 2176.2815 1952.5929 115.8215 -205752.2083 17649.2757 0.0000 0.0000 34252.3776 -148832.4309 299.1345 -183084.8085 -148739.3394 301.2502 -147.4286 -108.2402 559518.4778 -3.9553 -3.9431 PRESSURE: 3363200 -144.428 21.2864 -92.9767 21.2876 -203.08 171.82 -92.9765 171.82 -77.4265 GPRESSURE: 3363200 -124.223 108.871 0.034063 -120.039 -137.691 187.595 -113.682 130.366 -72.0539 PRESSAVG: 3363200 -23.5855 11.9923 -7.90899 11.9924 47.6333 -54.6785 -7.90899 -54.6786 9.29597 GPRESSAVG: 3363200 -23.8792 13.087 -8.90186 11.8669 46.9368 -53.0454 -7.97146 -55.6406 10.4815 TIMING: 3363200 CPU: 10056.2, 0.00304266/step Wall: 10056.2, 0.00304266/step, 1.3834 hours remaining, 205.871094 MB of memory in use. ENERGY: 3363200 749.7439 2102.4495 1955.3316 117.3360 -205398.2283 17437.5904 0.0000 0.0000 34476.8726 -148558.9043 301.0951 -183035.7769 -148451.6384 301.2613 -141.6448 -111.3227 558613.0557 11.1146 11.1797 PRESSURE: 3363400 47.8546 51.8223 -43.6464 51.8225 -84.2561 143.831 -43.6471 143.832 261.591 GPRESSURE: 3363400 66.4815 66.9701 51.8651 15.919 -90.9605 -2.58032 -39.6829 212.554 341.706 PRESSAVG: 3363400 27.455 56.2874 -64.9671 56.2874 11.7511 55.7647 -64.9671 55.7647 3.71317 GPRESSAVG: 3363400 27.1371 55.6585 -66.8901 56.982 11.6855 53.5459 -63.9202 56.144 3.9949 TIMING: 3363400 CPU: 10056.8, 0.00302506/step Wall: 10056.8, 0.00302506/step, 1.37522 hours remaining, 205.871094 MB of memory in use. ENERGY: 3363400 742.4818 2153.5720 1912.2267 109.1773 -205515.4488 17643.4825 0.0000 0.0000 34433.3312 -148521.1774 300.7148 -182954.5086 -148430.7488 301.6293 75.0631 105.7424 557501.6634 14.3064 14.2725 PRESSURE: 3363600 -149.343 25.302 103.066 25.3026 -22.4336 -100.421 103.066 -100.421 -62.9982 GPRESSURE: 3363600 -33.6364 -42.5374 163.7 68.3116 -32.4236 -58.3988 28.6459 -98.438 -66.1527 PRESSAVG: 3363600 -16.1576 -15.7004 -21.9741 -15.7003 -32.7362 -27.0412 -21.9742 -27.0411 61.0965 GPRESSAVG: 3363600 -14.7113 -17.3046 -21.5984 -13.1585 -33.9366 -24.5057 -22.528 -27.8901 60.638 TIMING: 3363600 CPU: 10057.4, 0.00305425/step Wall: 10057.4, 0.00305425/step, 1.38833 hours remaining, 205.871094 MB of memory in use. ENERGY: 3363600 730.5287 2139.4933 1990.1375 108.0689 -205585.5691 17634.7353 0.0000 0.0000 34289.2831 -148693.3222 299.4568 -182982.6054 -148594.0275 300.5024 -78.2584 -44.0709 557561.8201 4.0676 3.9967 PRESSURE: 3363800 -281.152 -53.9229 107.984 -53.922 -164.113 175.596 107.983 175.595 -301.2 GPRESSURE: 3363800 -302.985 -37.8439 26.7614 -4.97226 -124.04 181.57 69.1218 211.558 -229.783 PRESSAVG: 3363800 -5.34917 -16.0769 12.1337 -16.0769 -14.2356 -37.5769 12.1336 -37.5768 -21.307 GPRESSAVG: 3363800 -6.01952 -16.9957 9.2306 -16.9646 -13.5489 -37.5352 12.6273 -35.8514 -21.049 TIMING: 3363800 CPU: 10058, 0.00304752/step Wall: 10058, 0.00304752/step, 1.3851 hours remaining, 205.871094 MB of memory in use. ENERGY: 3363800 734.8287 2095.6110 1930.6238 118.1838 -205199.9325 17352.3933 0.0000 0.0000 34214.1933 -148754.0987 298.8011 -182968.2920 -148651.6252 300.6761 -248.8217 -218.9361 559419.7138 -13.6306 -13.5391 PRESSURE: 3364000 -183.649 38.1039 61.6502 38.1047 -135.899 -142.075 61.6497 -142.074 -116.557 GPRESSURE: 3364000 -209.1 0.691113 61.9889 91.4661 -90.5054 -91.9371 22.3117 -134.694 -52.503 PRESSAVG: 3364000 43.0061 -38.635 24.7099 -38.635 -40.7654 -18.0364 24.71 -18.0364 -27.8113 GPRESSAVG: 3364000 41.7097 -35.4262 26.4265 -38.8668 -39.5444 -18.6526 25.5019 -19.2053 -28.4601 TIMING: 3364000 CPU: 10058.6, 0.00302402/step Wall: 10058.6, 0.00302402/step, 1.37425 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: 3364000 762.9740 2121.8290 1924.6924 108.1576 -205904.1677 17688.8454 0.0000 0.0000 34467.6718 -148829.9975 301.0148 -183297.6693 -148734.9140 300.2014 -145.3682 -117.3696 559121.2922 -8.5235 -8.7649 PRESSURE: 3364200 -30.2267 -40.5837 249.805 -40.5835 -157.956 68.1907 249.806 68.1888 -57.3918 GPRESSURE: 3364200 -51.7794 2.94409 213.972 -136.8 -68.8852 37.768 278.658 4.24696 -17.9081 PRESSAVG: 3364200 -26.6664 -8.14315 45.5331 -8.14322 33.8481 -32.5297 45.5331 -32.5297 -19.7317 GPRESSAVG: 3364200 -24.8836 -9.80939 45.5845 -9.09345 32.677 -32.504 42.7669 -32.2351 -19.7575 TIMING: 3364200 CPU: 10059.2, 0.00306406/step Wall: 10059.2, 0.00306406/step, 1.39227 hours remaining, 205.871094 MB of memory in use. ENERGY: 3364200 726.4686 2097.0070 1934.7989 119.9200 -205725.8083 17583.2816 0.0000 0.0000 34289.2341 -148975.0981 299.4564 -183264.3323 -148877.7623 300.4411 -81.8581 -46.1909 560030.2046 -4.1833 -3.9880 LDB: ============= START OF LOAD BALANCING ============== 10062.7 LDB: ============== END OF LOAD BALANCING =============== 10062.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10062.7 LDB: ============= START OF LOAD BALANCING ============== 10063 LDB: Largest compute 4820 load 0.027061 is 22.9% of average load 0.118068 LDB: Average compute 0.001736 is 1.5% of average load 0.118068 LDB: TIME 10063 LOAD: AVG 0.118068 MAX 0.211826 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.871 MB LDB: TIME 10063 LOAD: AVG 0.118068 MAX 0.211826 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.078 MB LDB: TIME 10063 LOAD: AVG 0.118068 MAX 0.211826 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10063 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10063 PRESSURE: 3364400 -100.581 88.1047 36.3244 88.1057 -145.611 -95.7919 36.3259 -95.7921 -248.023 GPRESSURE: 3364400 -97.874 53.7525 -2.31545 131.32 -117.683 -133.717 69.1739 -94.3307 -173.02 PRESSAVG: 3364400 -5.98541 27.1614 56.782 27.1614 26.1572 -69.564 56.7819 -69.564 -12.8254 GPRESSAVG: 3364400 -5.66982 27.3964 56.7534 26.5401 25.9275 -69.868 59.6981 -69.2276 -12.4677 TIMING: 3364400 CPU: 10059.9, 0.00310376/step Wall: 10059.9, 0.00310376/step, 1.41014 hours remaining, 207.671875 MB of memory in use. ENERGY: 3364400 766.5427 2118.3834 1933.7767 106.2124 -205661.5908 17527.5906 0.0000 0.0000 34388.8014 -148820.2836 300.3260 -183209.0851 -148715.6500 300.3663 -164.7382 -129.5257 560288.0046 2.4488 2.5967 PRESSURE: 3364600 182.559 159.893 -123.547 159.892 142.81 -113.991 -123.545 -113.993 178.163 GPRESSURE: 3364600 241.708 200.288 -116.442 131.829 117.092 -144.062 -62.9834 20.4023 252.4 PRESSAVG: 3364600 -7.40499 -26.1197 3.09865 -26.1197 -6.3453 -87.8664 3.09875 -87.8664 7.04834 GPRESSAVG: 3364600 -7.73095 -26.0539 3.40766 -27.355 -5.06583 -87.8392 3.48726 -87.9044 6.2762 TIMING: 3364600 CPU: 10060.5, 0.00302281/step Wall: 10060.5, 0.00302282/step, 1.3732 hours remaining, 207.742188 MB of memory in use. ENERGY: 3364600 780.1000 2193.1970 1930.7197 113.4476 -206387.6930 18099.1505 0.0000 0.0000 34559.1494 -148711.9288 301.8136 -183271.0782 -148618.4789 301.0796 167.8440 203.7334 558833.6198 -2.2340 -2.1735 PRESSURE: 3364800 -92.7732 -77.1257 18.2112 -77.1265 53.7549 -31.7593 18.2106 -31.7609 -260.097 GPRESSURE: 3364800 -68.7561 -90.1985 -7.05003 48.4847 86.1223 -57.0407 -41.1486 -53.1444 -225.086 PRESSAVG: 3364800 -25.8675 -41.8369 26.029 -41.8369 36.7653 -8.18226 26.029 -8.18232 -15.2073 GPRESSAVG: 3364800 -25.8852 -41.0618 25.178 -37.544 35.0773 -7.17264 26.3842 -8.88108 -13.4093 TIMING: 3364800 CPU: 10061.1, 0.00301295/step Wall: 10061.1, 0.00301295/step, 1.36855 hours remaining, 207.742188 MB of memory in use. ENERGY: 3364800 773.8677 2146.1944 1941.3322 114.1858 -206004.7930 17800.5838 0.0000 0.0000 34567.3474 -148661.2818 301.8852 -183228.6291 -148561.8252 301.4192 -99.7050 -69.2400 558938.5042 -1.4365 -1.4057 PRESSURE: 3365000 -218.566 29.5145 -48.5687 29.5147 -208.919 100.893 -48.5674 100.89 -150.027 GPRESSURE: 3365000 -214.309 -49.1461 -89.2413 80.6148 -181.606 118.358 -67.3329 92.8504 -84.8484 PRESSAVG: 3365000 -16.1589 7.74578 -0.632845 7.74579 -7.55781 -17.1451 -0.632776 -17.1452 35.3388 GPRESSAVG: 3365000 -16.0479 7.76235 -3.5453 5.04419 -7.40179 -17.738 0.375005 -14.6412 34.6777 TIMING: 3365000 CPU: 10061.7, 0.00302506/step Wall: 10061.7, 0.00302506/step, 1.37388 hours remaining, 207.742188 MB of memory in use. ENERGY: 3365000 766.1995 2143.2892 1965.3670 126.8772 -205679.4166 17495.1836 0.0000 0.0000 34265.5182 -148916.9819 299.2493 -183182.5001 -148825.8916 300.9186 -192.5037 -160.2544 558896.8815 3.8740 3.7426 PRESSURE: 3365200 214.435 -21.567 -95.3804 -21.5673 57.0282 -150.999 -95.38 -150.999 100.094 GPRESSURE: 3365200 215.753 45.4367 -79.4556 -29.8371 115.212 -214.114 -46.8093 -67.5739 133.115 PRESSAVG: 3365200 15.4511 -33.0034 -0.678743 -33.0034 -57.0135 -53.8766 -0.678695 -53.8766 7.28943 GPRESSAVG: 3365200 15.2614 -32.9777 1.13319 -32.1432 -56.0152 -55.0256 -2.66308 -56.101 6.93529 TIMING: 3365200 CPU: 10062.3, 0.00301206/step Wall: 10062.3, 0.00301206/step, 1.36781 hours remaining, 207.742188 MB of memory in use. ENERGY: 3365200 785.6004 2127.2410 1948.4367 106.0645 -206601.9544 18098.2268 0.0000 0.0000 34327.2107 -149209.1744 299.7881 -183536.3851 -149111.8403 299.4570 123.8524 154.6938 556025.9660 -11.4243 -11.2729 PRESSURE: 3365400 83.956 -0.778196 -58.8549 -0.777414 114.397 100.135 -58.8538 100.136 229.205 GPRESSURE: 3365400 146.576 -0.164178 -87.4824 -37.1447 139.911 144.737 -73.284 87.5836 258.903 PRESSAVG: 3365400 -1.13714 -24.7103 -52.8972 -24.7102 -42.1482 7.75807 -52.8972 7.7581 31.3085 GPRESSAVG: 3365400 -0.627437 -24.0477 -51.1814 -24.4961 -42.6334 8.81415 -54.4542 7.65772 31.223 TIMING: 3365400 CPU: 10062.9, 0.00303273/step Wall: 10062.9, 0.00303273/step, 1.37703 hours remaining, 207.742188 MB of memory in use. ENERGY: 3365400 742.9141 2101.9632 1949.2651 113.2337 -206569.3856 18150.2559 0.0000 0.0000 34410.4658 -149101.2879 300.5152 -183511.7537 -149000.3605 299.5710 142.5192 181.7967 557797.1684 -3.9923 -4.0126 PRESSURE: 3365600 -370.65 -122.799 -53.7179 -122.8 146.991 148.302 -53.7184 148.3 -254.361 GPRESSURE: 3365600 -371.13 -111.078 -57.4059 -123.765 236.709 207.549 -37.8457 232.193 -231.439 PRESSAVG: 3365600 -6.98382 37.0387 -54.2571 37.0386 6.06555 -30.5191 -54.2572 -30.5192 3.47796 GPRESSAVG: 3365600 -7.51373 34.9761 -55.3554 36.4719 7.11417 -30.7389 -54.6377 -27.7819 3.10719 TIMING: 3365600 CPU: 10063.5, 0.00302599/step Wall: 10063.5, 0.00302599/step, 1.3738 hours remaining, 207.742188 MB of memory in use. ENERGY: 3365600 726.8508 2098.6491 1941.8313 108.4786 -205778.8070 17441.5703 0.0000 0.0000 34489.6945 -148971.7322 301.2071 -183461.4267 -148871.7388 299.7841 -159.3398 -121.9534 559092.8044 0.8532 0.9025 PRESSURE: 3365800 -63.1118 -33.9671 85.7365 -33.9656 -116.271 102.379 85.7366 102.379 -17.5157 GPRESSURE: 3365800 -47.8489 -27.6927 7.29738 -56.7345 -93.6368 68.4739 14.0763 80.6421 43.2021 PRESSAVG: 3365800 12.8976 -9.06089 -31.8165 -9.06092 -17.317 -1.46468 -31.8166 -1.46462 10.7143 GPRESSAVG: 3365800 12.2702 -8.68085 -29.3064 -7.72341 -18.0779 -1.60185 -32.401 -2.03002 12.1123 TIMING: 3365800 CPU: 10064.1, 0.00301124/step Wall: 10064.1, 0.00301124/step, 1.36693 hours remaining, 207.742188 MB of memory in use. ENERGY: 3365800 743.0785 2147.9792 1930.2746 137.8781 -205932.7386 17690.2465 0.0000 0.0000 34352.8886 -148930.3932 300.0123 -183283.2817 -148831.4791 300.0632 -65.6330 -32.7612 558611.5941 2.0983 2.1015 PRESSURE: 3366000 -27.9459 315.034 138.92 315.034 -7.64518 156.94 138.921 156.94 -258.023 GPRESSURE: 3366000 -11.832 269.014 193.129 199.002 47.8387 144.326 143.19 174.865 -226.161 PRESSAVG: 3366000 -42.0639 -72.2053 50.6777 -72.2053 30.8613 51.9968 50.6777 51.9969 -64.6045 GPRESSAVG: 3366000 -39.8004 -72.2911 47.4057 -74.9036 30.9548 51.1215 54.1289 50.3315 -66.77 TIMING: 3366000 CPU: 10064.7, 0.00299127/step Wall: 10064.7, 0.00299127/step, 1.35771 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: 3366000 734.8142 2109.5868 1942.4879 105.4350 -206046.4790 17659.2036 0.0000 0.0000 34620.7183 -148874.2332 302.3513 -183494.9515 -148769.6739 300.6915 -97.8713 -63.3847 556826.1735 -25.2690 -25.2052 PRESSURE: 3366200 -305.259 194.608 -83.5907 194.607 -73.94 -76.4094 -83.5916 -76.4087 -205.794 GPRESSURE: 3366200 -205.877 231.629 -91.0404 132.468 -45.3825 -32.2151 -72.3287 -48.3729 -238.254 PRESSAVG: 3366200 10.1101 -5.48728 10.9809 -5.48728 -31.0745 21.8237 10.9808 21.8238 -18.7056 GPRESSAVG: 3366200 9.65555 -4.58511 13.2844 -5.24801 -31.1012 21.7687 8.79718 21.9271 -18.1639 TIMING: 3366200 CPU: 10065.3, 0.00300673/step Wall: 10065.3, 0.00300673/step, 1.36456 hours remaining, 207.742188 MB of memory in use. ENERGY: 3366200 770.5746 2137.1484 1935.3134 111.8646 -205697.5018 17596.8245 0.0000 0.0000 34154.7186 -148991.0576 298.2817 -183145.7762 -148892.5683 300.0398 -194.9977 -163.1711 559706.1319 -13.2234 -13.2032 PRESSURE: 3366400 -274.149 -49.6652 -47.7534 -49.6651 -144.371 54.7562 -47.7534 54.7555 -375.651 GPRESSURE: 3366400 -218.974 -22.0151 -66.5626 -81.7231 -86.1041 66.462 -10.3567 157.407 -384.563 PRESSAVG: 3366400 24.6861 -6.1487 -1.84874 -6.14865 -18.9683 12.8472 -1.84866 12.8472 6.32296 GPRESSAVG: 3366400 23.0456 -5.00342 -3.2675 -6.42423 -17.7619 12.819 -1.25297 11.6657 6.72546 TIMING: 3366400 CPU: 10065.9, 0.0029957/step Wall: 10065.9, 0.0029957/step, 1.35938 hours remaining, 207.742188 MB of memory in use. ENERGY: 3366400 725.0635 2121.9503 1970.0757 122.7304 -205803.4055 17468.3828 0.0000 0.0000 34505.8416 -148889.3613 301.3481 -183395.2029 -148787.8327 300.1233 -264.7237 -229.8803 560076.2230 4.0136 4.0030 PRESSURE: 3366600 72.5713 -65.8124 21.116 -65.8111 41.6155 40.0718 21.1157 40.073 169.501 GPRESSURE: 3366600 124.654 -83.4352 -3.94431 26.3365 70.8301 -20.8734 79.4502 12.4866 191.757 PRESSAVG: 3366600 -35.4764 -23.6124 18.5285 -23.6123 44.2834 -13.2019 18.5286 -13.2019 -27.5724 GPRESSAVG: 3366600 -34.0631 -25.4382 18.7819 -21.7462 43.1962 -11.769 19.4734 -11.9693 -27.6083 TIMING: 3366600 CPU: 10066.5, 0.0029978/step Wall: 10066.5, 0.0029978/step, 1.36017 hours remaining, 207.742188 MB of memory in use. ENERGY: 3366600 701.0631 2158.8955 1944.6361 109.5088 -206191.2774 18006.6933 0.0000 0.0000 34438.7886 -148831.6921 300.7625 -183270.4806 -148739.1646 300.5614 94.5626 129.0804 559138.5921 -6.2551 -6.1584 PRESSURE: 3366800 -63.7214 -137.261 0.260631 -137.259 -10.4392 -12.5268 0.259447 -12.5263 136.86 GPRESSURE: 3366800 -13.2997 -139.193 -21.8417 -70.709 -26.8138 76.0598 -7.10032 24.7605 200.04 PRESSAVG: 3366800 -44.4515 -36.9749 49.7127 -36.9749 27.5336 21.814 49.7126 21.8139 11.8934 GPRESSAVG: 3366800 -43.8729 -37.1183 51.4592 -37.0997 27.2035 19.8938 47.0642 23.4165 11.5832 TIMING: 3366800 CPU: 10067.1, 0.00300942/step Wall: 10067.1, 0.00300942/step, 1.36528 hours remaining, 207.742188 MB of memory in use. ENERGY: 3366800 740.1382 2039.9888 1945.5491 115.2876 -205840.0641 17726.8818 0.0000 0.0000 34419.4936 -148852.7249 300.5940 -183272.2185 -148755.6340 300.4749 20.8999 53.3087 559021.3910 -1.6748 -1.6954 PRESSURE: 3367000 -29.7497 203.157 101.908 203.157 75.8757 102.819 101.908 102.817 -313.601 GPRESSURE: 3367000 -13.3953 186.371 133.988 210.311 110.626 15.1876 118.645 89.3807 -271.467 PRESSAVG: 3367000 57.4252 23.1771 78.9979 23.177 -39.8617 -2.66181 78.9979 -2.66179 -42.8263 GPRESSAVG: 3367000 55.4897 24.404 76.4978 20.7691 -39.5801 -0.771689 82.3017 -3.5899 -41.8548 TIMING: 3367000 CPU: 10067.7, 0.0029977/step Wall: 10067.7, 0.0029977/step, 1.35979 hours remaining, 207.742188 MB of memory in use. ENERGY: 3367000 755.5794 2092.1554 1947.3315 106.2747 -205965.3790 17847.3709 0.0000 0.0000 34324.7731 -148891.8940 299.7668 -183216.6671 -148796.0469 300.4163 -89.1583 -58.0785 558106.7553 -8.4209 -8.6484 PRESSURE: 3367200 62.0602 -111.619 -151.17 -111.62 -124.089 -163.784 -151.169 -163.785 -264.498 GPRESSURE: 3367200 96.6254 -143.663 -122.645 -142.203 -74.2345 -101.754 -122.407 -137.551 -255.947 PRESSAVG: 3367200 48.2766 11.3942 12.496 11.3942 54.5259 40.9499 12.496 40.95 -75.6479 GPRESSAVG: 3367200 49.5758 9.41761 13.9278 14.2988 53.2916 40.3062 12.0152 42.3813 -75.8002 TIMING: 3367200 CPU: 10068.3, 0.00298647/step Wall: 10068.3, 0.00298647/step, 1.35453 hours remaining, 207.742188 MB of memory in use. ENERGY: 3367200 736.0098 2074.0892 1945.3594 116.5384 -206172.1608 17724.1634 0.0000 0.0000 34548.8999 -149027.1007 301.7241 -183576.0006 -148925.7578 300.2400 -108.8423 -77.8519 557997.8559 9.0515 9.0224 PRESSURE: 3367400 -227.091 -252.149 19.8582 -252.149 70.6797 136.93 19.8591 136.931 118.311 GPRESSURE: 3367400 -189.821 -259.661 3.73898 -187.848 126.596 56.8163 37.4947 290.817 117.849 PRESSAVG: 3367400 0.669968 -20.9803 21.4986 -20.9804 51.8407 30.6776 21.4985 30.6776 -39.569 GPRESSAVG: 3367400 0.682828 -20.683 20.9426 -21.3767 50.9255 30.7393 19.9259 29.8069 -39.3664 TIMING: 3367400 CPU: 10068.9, 0.00301959/step Wall: 10068.9, 0.00301959/step, 1.36939 hours remaining, 207.742188 MB of memory in use. ENERGY: 3367400 721.1371 2096.9289 1955.9620 128.6717 -206479.9886 17976.2268 0.0000 0.0000 34512.8697 -149088.1923 301.4095 -183601.0620 -148986.2729 300.4970 -12.7002 18.2079 558063.1894 4.3139 4.0806 PRESSURE: 3367600 -237.258 16.4764 -91.9646 16.4759 -182.214 -43.9761 -91.9632 -43.9753 -147.39 GPRESSURE: 3367600 -215.067 86.9689 -148.887 -2.70587 -167.695 80.6143 -54.158 -156.984 -107.362 PRESSAVG: 3367600 -47.4566 47.4545 -27.175 47.4544 -1.38126 8.35847 -27.1751 8.35847 47.7897 GPRESSAVG: 3367600 -47.1912 48.8778 -25.7468 45.8923 -1.20609 8.16049 -27.639 7.92834 47.3387 TIMING: 3367600 CPU: 10069.5, 0.00302379/step Wall: 10069.5, 0.00302379/step, 1.37112 hours remaining, 207.742188 MB of memory in use. ENERGY: 3367600 757.8196 2099.5838 1958.1039 106.9662 -205835.5737 17644.7609 0.0000 0.0000 34220.3168 -149048.0225 298.8545 -183268.3393 -148951.1640 299.8034 -188.9539 -163.3747 558999.2092 -0.3494 -0.3529 PRESSURE: 3367800 40.3489 67.8247 84.5123 67.8245 273.79 -84.8014 84.5114 -84.8029 309.723 GPRESSURE: 3367800 69.6283 45.4848 68.1247 14.3815 309.543 -81.2564 91.1399 -33.6472 334.354 PRESSAVG: 3367800 13.2823 59.0239 96.1174 59.0239 -20.3848 36.4472 96.1174 36.4472 6.83926 GPRESSAVG: 3367800 13.1672 57.5697 94.8868 60.0344 -19.6402 36.8343 98.2273 36.8876 6.15403 TIMING: 3367800 CPU: 10070.1, 0.0030075/step Wall: 10070.1, 0.0030075/step, 1.36357 hours remaining, 207.742188 MB of memory in use. ENERGY: 3367800 747.8586 2075.0974 2005.3257 120.4442 -206224.7942 18123.5904 0.0000 0.0000 34171.5040 -148980.9740 298.4282 -183152.4779 -148882.5580 299.8364 207.9542 237.8419 556772.0898 -0.0877 -0.1063 PRESSURE: 3368000 -91.9625 -82.0163 -91.6643 -82.0152 286.579 -102.13 -91.6653 -102.131 62.349 GPRESSURE: 3368000 -43.8734 -84.5024 -30.8535 -56.1042 279.606 -166.953 -172.075 -161.453 106.232 PRESSAVG: 3368000 -33.9895 56.6392 -2.03862 56.6392 56.6213 -6.29099 -2.03866 -6.29102 0.665406 GPRESSAVG: 3368000 -33.8439 58.6994 -1.51431 54.714 56.1259 -7.22665 -3.27944 -7.88541 1.06954 TIMING: 3368000 CPU: 10070.7, 0.00300793/step Wall: 10070.7, 0.00300793/step, 1.36359 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: 3368000 765.8528 2093.4062 1932.8592 128.2944 -206173.3771 17931.1820 0.0000 0.0000 34339.7663 -148982.0161 299.8977 -183321.7824 -148884.0031 300.2450 85.6551 113.9879 556572.6068 7.7657 7.7838 PRESSURE: 3368200 -226.561 -10.2286 156.721 -10.2285 -72.9683 -129.742 156.722 -129.742 -199.474 GPRESSURE: 3368200 -126.297 -6.79979 158.107 41.6624 -76.8901 -172.881 128.396 -144.067 -194.821 PRESSAVG: 3368200 -10.7742 32.0065 -29.7991 32.0066 16.7261 -24.0429 -29.7991 -24.0429 8.82182 GPRESSAVG: 3368200 -10.3272 30.8408 -30.7004 32.3763 17.0916 -22.2434 -27.9987 -22.7389 8.40535 TIMING: 3368200 CPU: 10071.3, 0.00300869/step Wall: 10071.3, 0.00300869/step, 1.36377 hours remaining, 207.742188 MB of memory in use. ENERGY: 3368200 817.0186 2170.0185 1971.0406 112.8953 -206396.7317 17931.6545 0.0000 0.0000 34403.7631 -148990.3411 300.4566 -183394.1042 -148897.0082 300.3996 -166.3344 -132.6694 558591.7822 4.9246 5.0566 LDB: ============= START OF LOAD BALANCING ============== 10074.7 LDB: ============== END OF LOAD BALANCING =============== 10074.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10074.7 LDB: ============= START OF LOAD BALANCING ============== 10075 LDB: Largest compute 4820 load 0.028772 is 24.4% of average load 0.118056 LDB: Average compute 0.001739 is 1.5% of average load 0.118056 LDB: TIME 10075 LOAD: AVG 0.118056 MAX 0.208013 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.105 MB LDB: TIME 10075 LOAD: AVG 0.118056 MAX 0.208013 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.105 MB LDB: TIME 10075 LOAD: AVG 0.118056 MAX 0.208013 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.105 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10075 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10075.1 PRESSURE: 3368400 107.47 -37.0544 93.0356 -37.055 210.687 229.01 93.0355 229.011 -218.142 GPRESSURE: 3368400 119.425 -86.4621 124.545 -60.7584 250.105 273.432 117.624 210.731 -174.359 PRESSAVG: 3368400 -30.1821 -10.6979 73.8551 -10.6979 2.91086 27.1677 73.855 27.1679 47.6342 GPRESSAVG: 3368400 -30.9979 -10.2099 73.8864 -8.91533 2.29737 27.4159 72.4728 27.7056 48.4068 TIMING: 3368400 CPU: 10071.9, 0.00306303/step Wall: 10071.9, 0.00306303/step, 1.38824 hours remaining, 205.902344 MB of memory in use. ENERGY: 3368400 733.0000 2127.9864 1937.5734 110.6096 -206299.1110 17833.3680 0.0000 0.0000 34620.9961 -148935.5776 302.3538 -183556.5737 -148834.3318 300.4023 33.3385 65.0570 557103.9599 6.7876 6.5688 PRESSURE: 3368600 -13.0564 -77.9821 62.8095 -77.9833 -127.236 -105.276 62.8094 -105.276 231.735 GPRESSURE: 3368600 114.604 -112.267 111.267 -68.3395 -124.743 -19.4459 15.0627 -62.7777 192.48 PRESSAVG: 3368600 40.1733 -36.9861 29.1265 -36.9862 -30.476 3.94882 29.1264 3.94868 -6.69273 GPRESSAVG: 3368600 39.904 -38.2016 29.3838 -39.0855 -29.7617 2.93131 27.366 3.32118 -7.04732 TIMING: 3368600 CPU: 10072.5, 0.00303637/step Wall: 10072.5, 0.00303637/step, 1.37598 hours remaining, 205.902344 MB of memory in use. ENERGY: 3368600 735.5892 2140.6640 1949.4355 115.7625 -205994.4929 17941.5189 0.0000 0.0000 34376.4006 -148735.1222 300.2177 -183111.5228 -148634.3636 300.4361 30.4811 60.7805 559274.6556 1.0015 1.0317 PRESSURE: 3368800 -26.0027 6.71242 49.5707 6.71204 -125.924 67.4138 49.5705 67.4138 58.6527 GPRESSURE: 3368800 54.4685 121.527 58.8672 -100.124 -113.158 30.5909 47.8627 149.535 55.5094 PRESSAVG: 3368800 -79.1676 0.0951535 33.4429 0.0951542 17.9593 -15.499 33.443 -15.499 49.5847 GPRESSAVG: 3368800 -79.472 1.98946 33.6716 -2.18014 17.8415 -16.7825 35.9005 -16.4699 50.9961 TIMING: 3368800 CPU: 10073.1, 0.00303333/step Wall: 10073.1, 0.00303333/step, 1.37443 hours remaining, 205.902344 MB of memory in use. ENERGY: 3368800 784.0477 2120.7256 1952.6971 111.8827 -205963.8181 17771.1914 0.0000 0.0000 34394.4834 -148828.7901 300.3756 -183223.2735 -148728.8752 300.4263 -31.0914 -1.0599 559202.9782 -3.8745 -3.5448 PRESSURE: 3369000 -88.2981 16.21 67.3435 16.2094 231.852 -14.6775 67.3439 -14.6783 -105.473 GPRESSURE: 3369000 4.68429 105.585 141.125 -5.11678 238.708 -62.1561 59.0953 -65.9397 -122.599 PRESSAVG: 3369000 -9.06604 -15.8709 44.1874 -15.8709 14.7405 -56.487 44.1874 -56.487 4.77967 GPRESSAVG: 3369000 -8.82524 -17.2157 44.8376 -12.0388 14.5664 -53.6081 41.8436 -56.6896 3.93894 TIMING: 3369000 CPU: 10073.7, 0.00301062/step Wall: 10073.7, 0.00301062/step, 1.36398 hours remaining, 205.902344 MB of memory in use. ENERGY: 3369000 721.5844 2090.0758 1948.9565 119.8569 -205903.6910 17795.9514 0.0000 0.0000 34281.2028 -148946.0632 299.3863 -183227.2659 -148845.7699 300.0074 12.6937 40.2643 559604.4717 3.4847 3.2267 PRESSURE: 3369200 -48.1161 81.8645 -19.1958 81.8634 -15.3601 -123.92 -19.1949 -123.92 -53.456 GPRESSURE: 3369200 -13.9425 134.115 -30.9301 65.0496 -18.306 -62.0258 18.5981 -43.5074 14.1515 PRESSAVG: 3369200 -7.48081 -6.83632 33.1092 -6.83639 14.2536 -57.2166 33.1092 -57.2167 -18.223 GPRESSAVG: 3369200 -7.92998 -6.42665 32.3172 -8.90993 14.5761 -58.6676 34.2124 -55.5031 -18.2409 TIMING: 3369200 CPU: 10074.3, 0.00300454/step Wall: 10074.3, 0.00300454/step, 1.36106 hours remaining, 205.902344 MB of memory in use. ENERGY: 3369200 706.8882 2072.3619 1947.4210 116.2696 -205540.5723 17600.6434 0.0000 0.0000 34130.7243 -148966.2639 298.0721 -183096.9883 -148864.2677 299.8222 -38.9774 -6.0323 558213.2717 -3.8168 -3.8649 PRESSURE: 3369400 146.653 -23.5249 155.251 -23.5249 -16.0232 -125.503 155.25 -125.504 -384.719 GPRESSURE: 3369400 161.262 13.0349 126.434 38.2649 28.1814 -120.653 130.639 -89.888 -353.715 PRESSAVG: 3369400 44.5898 -9.64168 -26.5356 -9.6417 -9.49422 -5.40151 -26.5357 -5.4015 -65.9511 GPRESSAVG: 3369400 44.4845 -8.57191 -24.6681 -9.68942 -9.70426 -5.73251 -27.936 -5.13728 -65.4462 TIMING: 3369400 CPU: 10074.9, 0.00301836/step Wall: 10074.9, 0.00301836/step, 1.36715 hours remaining, 205.902344 MB of memory in use. ENERGY: 3369400 796.4891 2059.9874 1966.3861 118.3223 -206064.8954 18020.4553 0.0000 0.0000 34232.8065 -148870.4488 298.9636 -183103.2552 -148774.2617 300.1227 -84.6964 -54.7570 558973.6082 -10.2852 -10.2220 PRESSURE: 3369600 118.641 173.301 123.318 173.301 -132.356 96.8223 123.319 96.8225 57.9095 GPRESSURE: 3369600 145.684 195.404 41.7698 131.761 -121.386 77.364 249.424 12.2946 115.132 PRESSAVG: 3369600 10.0532 33.5405 78.8762 33.5405 0.258426 -47.1037 78.8761 -47.1036 -18.8546 GPRESSAVG: 3369600 10.7964 32.7518 77.2618 34.4749 0.648941 -45.5093 82.6172 -48.458 -19.3404 TIMING: 3369600 CPU: 10075.5, 0.00300648/step Wall: 10075.5, 0.00300648/step, 1.3616 hours remaining, 205.957031 MB of memory in use. ENERGY: 3369600 740.0972 2115.2459 1978.1514 111.1939 -206085.6527 17818.2612 0.0000 0.0000 34300.8086 -149021.8945 299.5575 -183322.7031 -148921.9141 299.6824 14.7315 46.4765 558903.7192 -2.8476 -2.6317 PRESSURE: 3369800 85.1133 -147.122 95.3275 -147.122 -12.3481 187.584 95.3261 187.584 -115.071 GPRESSURE: 3369800 82.3488 -88.8759 100.051 -124.834 15.1864 113.703 104.775 221.12 -45.3908 PRESSAVG: 3369800 -40.69 5.25329 22.5482 5.2534 -28.877 -2.97722 22.548 -2.97714 16.5728 GPRESSAVG: 3369800 -40.6267 6.13296 21.522 4.36277 -28.196 -4.30607 20.313 -2.02839 16.3428 TIMING: 3369800 CPU: 10076.2, 0.00303856/step Wall: 10076.2, 0.00303856/step, 1.37596 hours remaining, 205.957031 MB of memory in use. ENERGY: 3369800 771.0347 2167.6363 1925.0995 101.9611 -206034.5576 17669.7563 0.0000 0.0000 34476.7372 -148922.3324 301.0939 -183399.0696 -148823.6341 300.1626 -14.1018 17.3815 558377.9059 -17.6647 -17.4933 PRESSURE: 3370000 -182.827 54.0371 -133.307 54.036 -60.2229 -2.99143 -133.306 -2.99077 -52.0339 GPRESSURE: 3370000 -138.078 60.8495 22.0347 117.561 -40.263 -51.9211 -157.165 -50.7175 -19.1874 PRESSAVG: 3370000 32.2526 7.78492 30.8381 7.7849 -52.8154 4.41153 30.838 4.41148 18.8261 GPRESSAVG: 3370000 31.235 6.73054 33.0134 6.95169 -52.4116 4.87914 31.0796 3.45693 19.2645 TIMING: 3370000 CPU: 10076.8, 0.0030295/step Wall: 10076.8, 0.0030295/step, 1.37169 hours remaining, 205.957031 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: 3370000 763.1943 2146.3983 1912.9921 104.1778 -205737.6768 17603.9146 0.0000 0.0000 34246.3982 -148960.6015 299.0823 -183206.9998 -148859.9394 300.2794 -98.3614 -65.8429 558884.3238 -0.5789 -0.6373 PRESSURE: 3370200 -223.459 -78.1769 152.054 -78.1766 -152.825 46.2488 152.054 46.2487 -266.043 GPRESSURE: 3370200 -160.841 -80.5696 109.907 -76.1059 -103.647 230.783 96.2443 26.0006 -289.248 PRESSAVG: 3370200 9.85512 53.1675 13.8435 53.1675 44.2123 24.3869 13.8435 24.387 -35.8844 GPRESSAVG: 3370200 11.2078 55.1982 12.4171 53.9093 44.0198 24.3656 12.0516 25.78 -37.011 TIMING: 3370200 CPU: 10077.4, 0.0030154/step Wall: 10077.4, 0.0030154/step, 1.36514 hours remaining, 205.957031 MB of memory in use. ENERGY: 3370200 751.4398 2077.5414 1959.6473 121.2592 -205642.0585 17540.6592 0.0000 0.0000 34272.4596 -148919.0520 299.3099 -183191.5116 -148821.1164 300.0957 -214.1091 -184.5788 558918.1120 6.0610 6.0722 PRESSURE: 3370400 -60.0202 62.3979 -66.6053 62.3975 318.249 -31.9181 -66.6061 -31.9184 73.3676 GPRESSURE: 3370400 -43.541 161.822 -27.9033 59.0399 361.148 -100.064 -84.1361 45.2729 111.281 PRESSAVG: 3370400 -38.6746 -5.4996 50.1016 -5.49963 2.46721 39.9081 50.1015 39.908 35.3869 GPRESSAVG: 3370400 -40.1168 -6.87329 51.5221 -4.89317 2.71112 41.7165 49.9657 38.4645 36.848 TIMING: 3370400 CPU: 10078, 0.00301576/step Wall: 10078, 0.00301576/step, 1.36513 hours remaining, 205.957031 MB of memory in use. ENERGY: 3370400 783.0596 2100.4654 1942.3753 125.1600 -206101.0282 17817.6309 0.0000 0.0000 34283.3040 -149049.0330 299.4046 -183332.3370 -148951.1877 299.7167 110.5320 142.9625 557561.5661 -0.2735 -0.1859 PRESSURE: 3370600 62.4771 -55.8005 -60.7504 -55.8008 -25.589 -122.062 -60.7514 -122.063 65.9681 GPRESSURE: 3370600 117.783 -113.341 -62.8127 -68.3333 37.4983 -158.979 -99.6306 -101.094 44.8701 PRESSAVG: 3370600 -51.1994 20.6829 -22.5904 20.6829 69.019 25.9613 -22.5904 25.9612 0.672878 GPRESSAVG: 3370600 -50.8006 22.1375 -26.5929 19.3833 68.8799 26.249 -18.8151 26.4055 -0.002464 TIMING: 3370600 CPU: 10078.6, 0.00300014/step Wall: 10078.6, 0.00300014/step, 1.3579 hours remaining, 205.957031 MB of memory in use. ENERGY: 3370600 702.9054 2083.2657 1941.3382 108.7063 -205941.4032 17698.1380 0.0000 0.0000 34340.6099 -149066.4397 299.9051 -183407.0497 -148967.6605 299.3962 34.2854 66.7173 557725.1210 6.1642 6.0256 PRESSURE: 3370800 73.7496 -28.1033 -70.6058 -28.1056 36.7645 -83.8489 -70.606 -83.8486 297.214 GPRESSURE: 3370800 121.022 -74.1816 -14.1545 62.1504 121.435 -102.716 -102.955 -71.2414 265.43 PRESSAVG: 3370800 10.6102 2.58124 -44.6051 2.58114 -69.3146 5.56164 -44.6052 5.5616 61.7163 GPRESSAVG: 3370800 11.2739 0.801627 -42.0028 4.82092 -70.5261 3.88591 -46.6958 6.76849 62.2061 TIMING: 3370800 CPU: 10079.2, 0.00299975/step Wall: 10079.2, 0.00299975/step, 1.35756 hours remaining, 205.957031 MB of memory in use. ENERGY: 3370800 739.0433 2128.6002 1929.9335 108.2817 -206187.7594 18007.2893 0.0000 0.0000 34361.3051 -148913.3063 300.0858 -183274.6114 -148821.0776 299.4484 135.9093 169.2957 557786.7377 1.0039 0.9846 PRESSURE: 3371000 -131.936 -106.092 -11.4058 -106.093 -50.6552 193.881 -11.4061 193.881 -42.7106 GPRESSURE: 3371000 -1.91734 -216.591 20.8174 -77.9243 -59.8252 256.306 92.8887 144.901 -70.3059 PRESSAVG: 3371000 79.4528 -9.40321 -14.6123 -9.40322 19.5692 59.9758 -14.6122 59.9759 -78.9549 GPRESSAVG: 3371000 78.9647 -10.0702 -12.085 -12.6482 19.9177 60.7685 -14.2516 58.4062 -78.662 TIMING: 3371000 CPU: 10079.8, 0.0030475/step Wall: 10079.8, 0.0030475/step, 1.37899 hours remaining, 205.957031 MB of memory in use. ENERGY: 3371000 746.9232 2083.8774 1964.0814 117.0019 -205839.7887 17640.5838 0.0000 0.0000 34293.6785 -148993.6424 299.4952 -183287.3209 -148907.6214 300.7145 -75.1005 -44.0161 556234.8516 6.6890 6.7401 PRESSURE: 3371200 124.643 154.878 149.004 154.876 -51.3108 -120.344 149.005 -120.342 -88.5792 GPRESSURE: 3371200 100.844 193.627 182.837 122.586 -26.0494 -78.2636 117.641 -162.45 11.4316 PRESSAVG: 3371200 -7.21379 -25.8 10.9148 -25.8001 -27.2535 20.9689 10.9147 20.9688 -20.4194 GPRESSAVG: 3371200 -5.96774 -25.5365 8.65574 -23.1108 -28.3768 20.7494 10.3448 22.3025 -20.7376 TIMING: 3371200 CPU: 10080.4, 0.00305994/step Wall: 10080.4, 0.00305994/step, 1.38445 hours remaining, 205.957031 MB of memory in use. ENERGY: 3371200 772.1353 2084.6663 1959.4814 117.5917 -205974.1233 17919.8956 0.0000 0.0000 34303.7433 -148816.6096 299.5831 -183120.3529 -148719.3839 300.4223 -5.0824 28.7420 558183.1406 -18.2956 -18.3607 PRESSURE: 3371400 -190.664 -15.4716 -196.116 -15.4708 -405.928 34.0962 -196.114 34.097 -60.3372 GPRESSURE: 3371400 -158.892 -52.3829 -213.77 72.0869 -316.345 10.7905 -110.986 95.2267 -75.2403 PRESSAVG: 3371400 22.5743 -31.8955 20.6166 -31.8955 -66.1336 14.1034 20.6168 14.1033 73.9979 GPRESSAVG: 3371400 22.7839 -33.2841 19.7189 -32.7438 -65.2514 16.4399 21.3641 11.3585 72.4028 TIMING: 3371400 CPU: 10081, 0.0030378/step Wall: 10081, 0.0030378/step, 1.37427 hours remaining, 205.957031 MB of memory in use. ENERGY: 3371400 751.1215 2112.2143 1945.1459 116.2170 -205693.1981 17506.2070 0.0000 0.0000 34230.1396 -149032.1529 298.9403 -183262.2925 -148937.2676 301.2762 -218.9762 -183.4924 557310.9830 10.1462 9.9784 PRESSURE: 3371600 35.7805 22.5273 87.4399 22.5279 254.743 161.672 87.4397 161.671 -68.9128 GPRESSURE: 3371600 11.7282 13.6143 96.9692 65.5814 320.504 149.249 43.6837 150.27 0.564112 PRESSAVG: 3371600 -28.9532 21.1988 -5.05437 21.1989 -18.3862 8.28663 -5.05432 8.28643 -29.0261 GPRESSAVG: 3371600 -30.8068 22.4062 -1.06321 23.034 -17.9026 6.61829 -6.21004 10.7683 -27.6048 TIMING: 3371600 CPU: 10081.6, 0.00302579/step Wall: 10081.6, 0.00302579/step, 1.36866 hours remaining, 205.957031 MB of memory in use. ENERGY: 3371600 731.0377 2172.4821 1934.8459 102.3944 -206159.2972 17839.8791 0.0000 0.0000 34467.9431 -148910.7149 301.0171 -183378.6580 -148816.1959 300.1961 73.8703 110.9322 556690.8932 -25.4552 -25.4381 PRESSURE: 3371800 -58.0755 26.121 80.6871 26.1202 217.395 -30.7119 80.6871 -30.712 -55.5841 GPRESSURE: 3371800 -12.5749 -31.4429 -17.9948 42.8874 239.854 38.4611 6.89201 -20.8227 -18.139 PRESSAVG: 3371800 -17.7747 43.8009 -7.1744 43.8009 18.3582 4.94398 -7.17444 4.94395 -7.04705 GPRESSAVG: 3371800 -16.2652 44.7457 -9.92225 42.2021 17.8266 4.49297 -5.86683 4.45273 -7.00643 TIMING: 3371800 CPU: 10082.2, 0.00303645/step Wall: 10082.2, 0.00303645/step, 1.37332 hours remaining, 205.957031 MB of memory in use. ENERGY: 3371800 743.0978 2139.1686 1928.6637 111.6204 -205826.0606 17794.8522 0.0000 0.0000 34280.5779 -148828.0800 299.3808 -183108.6579 -148732.2566 300.5903 34.5785 69.7134 557039.0762 -2.1545 -1.8150 PRESSURE: 3372000 -89.2969 -27.075 -74.9391 -27.0773 -74.1837 19.9817 -74.938 19.9835 153.61 GPRESSURE: 3372000 -44.3312 19.4997 -80.1324 -26.4869 -69.1008 3.1559 -82.6926 57.8731 201.241 PRESSAVG: 3372000 -27.3854 -27.1516 -32.2299 -27.1517 -38.4017 10.6023 -32.23 10.6022 48.3039 GPRESSAVG: 3372000 -27.365 -26.0811 -30.7295 -27.5846 -38.8814 9.66035 -32.3306 11.465 49.3053 TIMING: 3372000 CPU: 10082.8, 0.00300956/step Wall: 10082.8, 0.00300956/step, 1.36099 hours remaining, 205.957031 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: 3372000 760.5565 2128.8951 1975.6675 113.3673 -205811.3590 17726.3906 0.0000 0.0000 34212.4364 -148894.0458 298.7857 -183106.4822 -148800.6019 300.6533 -3.2902 29.2697 557212.4038 -5.8277 -5.6470 PRESSURE: 3372200 -199.389 30.2045 -38.4913 30.2042 6.24656 65.73 -38.4919 65.7302 -272.838 GPRESSURE: 3372200 -84.1747 18.5347 50.1706 20.2085 0.768028 60.8117 -4.12856 -35.3924 -282.184 PRESSAVG: 3372200 60.1836 -30.2985 -52.8466 -30.2985 -40.8261 4.82983 -52.8465 4.82981 16.6224 GPRESSAVG: 3372200 60.2333 -32.6624 -53.6045 -29.2689 -40.5219 6.82433 -50.7534 4.64556 16.959 TIMING: 3372200 CPU: 10083.4, 0.00300525/step Wall: 10083.4, 0.00300525/step, 1.35887 hours remaining, 205.957031 MB of memory in use. ENERGY: 3372200 762.7266 2127.5602 1943.2612 116.8398 -205863.8742 17560.8162 0.0000 0.0000 34279.6973 -149072.9729 299.3731 -183352.6702 -148971.5676 299.7972 -155.3268 -121.8635 558197.3162 11.9933 12.2235 LDB: ============= START OF LOAD BALANCING ============== 10086.8 LDB: ============== END OF LOAD BALANCING =============== 10086.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10086.8 LDB: ============= START OF LOAD BALANCING ============== 10087.1 LDB: Largest compute 4820 load 0.026872 is 22.8% of average load 0.118056 LDB: Average compute 0.001729 is 1.5% of average load 0.118056 LDB: TIME 10087.1 LOAD: AVG 0.118056 MAX 0.209035 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.32 MB LDB: TIME 10087.1 LOAD: AVG 0.118056 MAX 0.209035 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.523 MB LDB: TIME 10087.1 LOAD: AVG 0.118056 MAX 0.209035 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.523 MB LDB: ============== END OF LOAD BALANCING =============== 10087.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10087.1 PRESSURE: 3372400 -111.538 -40.1716 -2.29273 -40.1716 -84.6781 -71.3236 -2.29236 -71.3217 -25.1446 GPRESSURE: 3372400 -56.3578 -12.4886 -26.9526 26.4598 -76.3419 9.2407 23.8169 -55.2248 22.0869 PRESSAVG: 3372400 -48.4352 -26.9521 2.10779 -26.952 13.0163 -17.3872 2.10777 -17.3874 36.1483 GPRESSAVG: 3372400 -47.1774 -27.628 2.93819 -27.6598 12.6189 -16.8927 0.970255 -19.9858 35.5393 TIMING: 3372400 CPU: 10084, 0.00305046/step Wall: 10084, 0.00305046/step, 1.37915 hours remaining, 206.343750 MB of memory in use. ENERGY: 3372400 787.4928 2087.8638 1930.7407 126.4371 -205971.9908 17754.3540 0.0000 0.0000 34172.8852 -149112.2171 298.4403 -183285.1023 -149024.7447 299.6325 -73.7868 -36.8710 556652.0531 0.2431 0.3270 PRESSURE: 3372600 -63.6716 -149.72 53.0887 -149.721 2.06159 -14.9248 53.0886 -14.924 2.67972 GPRESSURE: 3372600 -15.0427 -120.681 34.5916 -101.358 -24.2786 40.3381 136.02 -81.0748 73.8379 PRESSAVG: 3372600 0.95152 -9.75634 -31.5028 -9.75632 -33.4206 -18.4033 -31.5028 -18.4033 23.5978 GPRESSAVG: 3372600 -0.0673322 -10.5513 -33.7083 -10.4661 -32.0539 -18.2028 -32.3585 -14.3809 23.1315 TIMING: 3372600 CPU: 10084.6, 0.00297578/step Wall: 10084.6, 0.00297578/step, 1.34522 hours remaining, 206.546875 MB of memory in use. ENERGY: 3372600 740.1316 2060.9277 1932.6881 118.4725 -205773.0519 17562.5733 0.0000 0.0000 34234.0558 -149124.2030 298.9745 -183358.2587 -149018.5541 299.4381 -19.6434 11.5055 555788.5098 -2.9571 -2.9966 PRESSURE: 3372800 49.6406 -38.9652 -57.0078 -38.9653 -162.883 8.99995 -57.0083 8.9994 -280.957 GPRESSURE: 3372800 78.7205 -9.81315 -27.4846 -27.7287 -100.147 -17.4651 -49.1567 -37.471 -278.053 PRESSAVG: 3372800 -18.3474 -23.9797 -14.1047 -23.9797 -23.5816 0.450487 -14.1046 0.450491 43.2243 GPRESSAVG: 3372800 -18.2427 -22.3217 -14.8863 -21.9849 -25.0837 -2.42269 -10.3176 -1.42133 44.1099 TIMING: 3372800 CPU: 10085.2, 0.0029823/step Wall: 10085.2, 0.00298229/step, 1.348 hours remaining, 206.546875 MB of memory in use. ENERGY: 3372800 730.5524 2073.3080 1934.6250 108.5447 -205728.0615 17391.2085 0.0000 0.0000 34176.0389 -149313.7840 298.4678 -183489.8229 -149215.6432 299.1959 -131.3996 -99.8265 555391.5960 0.4318 0.2612 PRESSURE: 3373000 -8.22032 -65.9654 84.3432 -65.9661 -110.803 57.9501 84.3434 57.9492 205.567 GPRESSURE: 3373000 94.0116 -32.4475 98.1291 -19.7979 -51.1388 152.921 -11.7501 13.8581 136.23 PRESSAVG: 3373000 2.57256 -8.50142 -53.9649 -8.50141 -25.3578 33.2869 -53.9649 33.2868 13.4446 GPRESSAVG: 3373000 2.41736 -9.56896 -52.1488 -9.06582 -24.5977 38.1801 -57.6766 32.6981 12.9513 TIMING: 3373000 CPU: 10085.8, 0.00297529/step Wall: 10085.8, 0.00297529/step, 1.34466 hours remaining, 206.546875 MB of memory in use. ENERGY: 3373000 758.9504 2070.0192 1934.5211 102.5091 -206124.7486 17744.0030 0.0000 0.0000 34335.5461 -149179.1998 299.8609 -183514.7459 -149085.0592 298.8488 28.8479 59.7009 556707.4832 -3.1136 -3.0764 PRESSURE: 3373200 -105.643 47.1185 67.9148 47.1174 -81.4194 -33.8027 67.9144 -33.8022 -346.436 GPRESSURE: 3373200 -62.6324 7.58324 74.6716 124.457 -119.554 -93.6619 63.2834 -46.8254 -272.909 PRESSAVG: 3373200 48.5962 -39.4742 28.9939 -39.4744 -38.2895 -2.91093 28.9939 -2.91091 -29.5948 GPRESSAVG: 3373200 47.21 -38.3024 28.6752 -39.1451 -38.3208 -6.96341 29.8322 -2.74706 -28.9452 TIMING: 3373200 CPU: 10086.4, 0.00302524/step Wall: 10086.4, 0.00302524/step, 1.36707 hours remaining, 206.546875 MB of memory in use. ENERGY: 3373200 785.0724 2097.1217 1947.7461 119.7938 -206007.9899 17624.3791 0.0000 0.0000 34132.2099 -149301.6668 298.0851 -183433.8767 -149208.4739 298.5870 -177.8327 -151.6987 558244.3602 -6.4294 -6.6853 PRESSURE: 3373400 -285.003 142.273 17.3583 142.273 -137.559 -113.681 17.3582 -113.68 -43.7511 GPRESSURE: 3373400 -227.153 132.182 34.1127 145.96 -106.309 -114.868 -30.2336 -156.175 -43.469 PRESSAVG: 3373400 -9.65974 -29.4169 -9.04775 -29.4169 52.0218 -59.7465 -9.0478 -59.7466 -21.9376 GPRESSAVG: 3373400 -8.19931 -28.0303 -11.2957 -31.2071 51.5737 -58.248 -8.03504 -58.9585 -22.8983 TIMING: 3373400 CPU: 10087, 0.00300491/step Wall: 10087, 0.00300491/step, 1.35772 hours remaining, 206.546875 MB of memory in use. ENERGY: 3373400 731.7001 2102.1719 1916.9405 136.9910 -206290.5424 17615.5347 0.0000 0.0000 34383.7044 -149403.4998 300.2814 -183787.2043 -149308.7521 299.1134 -155.4377 -125.6436 557419.0662 6.8081 6.8254 PRESSURE: 3373600 -373.479 11.5945 -75.2671 11.5957 -300.402 47.3279 -75.2666 47.3291 -473.859 GPRESSURE: 3373600 -320.641 -3.95456 -151.738 23.9807 -280.41 35.1661 51.7233 59.5481 -444.11 PRESSAVG: 3373600 -6.053 77.5168 -6.32779 77.5169 0.967259 -23.9226 -6.32779 -23.9226 -19.8021 GPRESSAVG: 3373600 -7.32893 75.9199 -5.15034 79.1928 1.30317 -22.8594 -5.8364 -26.7754 -18.4276 TIMING: 3373600 CPU: 10087.6, 0.0029861/step Wall: 10087.6, 0.0029861/step, 1.34905 hours remaining, 206.546875 MB of memory in use. ENERGY: 3373600 773.6429 2088.4703 1928.9127 133.2457 -206147.5148 17460.6193 0.0000 0.0000 34221.5711 -149541.0528 298.8655 -183762.6239 -149447.2707 299.2442 -382.5799 -348.3871 557320.7135 -8.2960 -8.1511 PRESSURE: 3373800 -190.733 67.7415 -36.8858 67.7414 -239.565 -47.2347 -36.8855 -47.2339 222.018 GPRESSURE: 3373800 -210.212 103.723 -96.9263 43.6064 -132.011 14.6439 -47.8365 -53.4285 225.113 PRESSAVG: 3373800 -38.2248 28.8682 13.5975 28.8683 -44.8978 -67.075 13.5974 -67.0749 33.7593 GPRESSAVG: 3373800 -37.6771 29.2635 13.4091 27.0801 -44.2813 -66.5992 10.8208 -65.1203 32.0796 TIMING: 3373800 CPU: 10088.2, 0.00298428/step Wall: 10088.2, 0.00298428/step, 1.34807 hours remaining, 206.546875 MB of memory in use. ENERGY: 3373800 705.9228 2111.4310 1933.9639 120.7455 -206056.2468 17630.2884 0.0000 0.0000 34058.6697 -149495.2255 297.4428 -183553.8952 -149401.9978 298.4815 -69.4267 -39.0368 556614.9431 -16.4544 -16.6262 PRESSURE: 3374000 241.863 82.2649 145.006 82.2658 175.779 -60.096 145.006 -60.0942 -172.54 GPRESSURE: 3374000 272.1 69.5028 128.689 129.533 185.964 -2.82075 52.1023 -100.127 -116.322 PRESSAVG: 3374000 16.6874 18.1671 78.364 18.1671 17.263 -55.7779 78.3641 -55.7779 -33.0353 GPRESSAVG: 3374000 17.3351 18.5815 79.1234 17.984 16.2203 -59.2645 79.748 -56.0988 -32.711 TIMING: 3374000 CPU: 10088.8, 0.00301085/step Wall: 10088.8, 0.00301085/step, 1.3599 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: 3374000 699.9190 2036.4525 1965.7799 96.8519 -206582.7971 18083.2424 0.0000 0.0000 34142.6035 -149557.9479 298.1758 -183700.5514 -149457.7608 298.3781 81.7006 113.9140 557956.5176 0.3050 0.2815 PRESSURE: 3374200 -33.7504 22.2849 95.0719 22.2869 -410.81 -7.69449 95.0723 -7.69431 -151.645 GPRESSURE: 3374200 18.6531 -1.58231 60.0895 53.3639 -402.237 52.5737 129.791 -80.0008 -128.169 PRESSAVG: 3374200 -14.2651 44.5618 13.8566 44.5617 -12.1645 -55.1706 13.8566 -55.1707 14.6683 GPRESSAVG: 3374200 -14.3954 47.0497 14.5551 45.0061 -12.0937 -52.6968 13.8239 -55.3728 14.5983 TIMING: 3374200 CPU: 10089.4, 0.00301345/step Wall: 10089.4, 0.00301345/step, 1.36091 hours remaining, 206.546875 MB of memory in use. ENERGY: 3374200 752.8432 2087.6269 1915.2931 119.7100 -206124.0595 17593.4018 0.0000 0.0000 34396.5960 -149258.5886 300.3940 -183655.1846 -149166.7667 298.5783 -198.7353 -170.5844 557760.6433 -3.9204 -3.9636 PRESSURE: 3374400 -120.271 -0.504319 6.91501 -0.504535 0.692161 6.31084 6.91551 6.31065 -362.814 GPRESSURE: 3374400 -124.27 17.6229 -66.4238 -32.9025 45.0696 -42.1648 26.9851 -7.57212 -303.571 PRESSAVG: 3374400 16.2787 -20.2614 -7.12021 -20.2614 14.5668 -36.2173 -7.12025 -36.2173 -37.6305 GPRESSAVG: 3374400 15.0397 -22.5258 -7.38382 -20.5482 15.5413 -36.9484 -8.41624 -35.6005 -36.4227 TIMING: 3374400 CPU: 10090, 0.00302759/step Wall: 10090, 0.00302759/step, 1.36712 hours remaining, 206.546875 MB of memory in use. ENERGY: 3374400 716.8062 2079.4595 1946.3252 121.8535 -205637.4308 17544.6502 0.0000 0.0000 34254.6524 -148973.6838 299.1544 -183228.3363 -148884.1425 299.5173 -160.7977 -127.5904 558212.5831 -2.2617 -1.9472 PRESSURE: 3374600 -119.228 -130.597 112.278 -130.597 -33.188 -119.905 112.279 -119.906 -278.532 GPRESSURE: 3374600 -87.8152 -177.742 75.9135 -124.077 -24.0967 -135.939 53.3914 -116.246 -230.973 PRESSAVG: 3374600 -30.7626 -41.7789 -15.9924 -41.779 56.6331 -6.98624 -15.9924 -6.98628 -6.07534 GPRESSAVG: 3374600 -28.6081 -42.4654 -16.1351 -41.3934 55.645 -7.00476 -15.2877 -9.39565 -6.89358 TIMING: 3374600 CPU: 10090.6, 0.003037/step Wall: 10090.6, 0.003037/step, 1.3712 hours remaining, 206.546875 MB of memory in use. ENERGY: 3374600 767.6150 2045.0670 1912.3963 111.3550 -206168.1974 17705.3055 0.0000 0.0000 34405.4444 -149221.0143 300.4713 -183626.4587 -149127.9923 299.4475 -143.6492 -114.2949 557879.3937 6.5984 6.7145 PRESSURE: 3374800 20.1236 40.9521 -121.261 40.9501 -21.032 146.392 -121.261 146.394 -19.6596 GPRESSURE: 3374800 46.1899 33.3237 -104.482 -36.2442 24.4247 85.041 -198.675 225.033 -0.196077 PRESSAVG: 3374800 15.9744 -13.4859 42.4584 -13.486 -8.6594 -17.8578 42.4584 -17.858 -10.9157 GPRESSAVG: 3374800 15.0518 -12.4768 40.0075 -13.1441 -7.46656 -18.8484 44.8695 -13.4443 -11.3525 TIMING: 3374800 CPU: 10091.2, 0.00301623/step Wall: 10091.2, 0.00301623/step, 1.36166 hours remaining, 206.546875 MB of memory in use. ENERGY: 3374800 742.6847 2061.7615 1949.1153 111.3912 -206291.0269 18029.2133 0.0000 0.0000 34141.0478 -149255.8131 298.1623 -183396.8609 -149159.3762 299.3047 -6.8560 23.4728 557968.4161 -1.2002 -1.2557 PRESSURE: 3375000 98.1893 -149.337 41.3906 -149.338 -89.9246 93.3979 41.3911 93.3967 33.3953 GPRESSURE: 3375000 147.414 -107.739 89.1957 -170.158 -94.6192 39.5814 12.938 72.2295 85.6037 PRESSAVG: 3375000 7.44688 -12.2266 -24.6764 -12.2266 -19.6311 5.48193 -24.6763 5.48203 -9.9794 GPRESSAVG: 3375000 8.18371 -12.3058 -22.9192 -12.3608 -21.1878 7.90187 -26.415 3.8313 -9.69304 TIMING: 3375000 CPU: 10091.8, 0.00301226/step Wall: 10091.8, 0.00301226/step, 1.3597 hours remaining, 206.546875 MB of memory in use. ENERGY: 3375000 762.5187 2059.4075 1923.5017 100.1842 -205974.9357 17786.5266 0.0000 0.0000 33998.4026 -149344.3943 296.9165 -183342.7969 -149254.3392 298.3134 13.8867 46.1329 557126.4925 -7.3879 -7.5657 PRESSURE: 3375200 33.2959 -40.5067 141.564 -40.5071 -111.918 -183.228 141.563 -183.228 -138.006 GPRESSURE: 3375200 54.8779 -59.4196 59.4102 -61.4449 -66.877 -105.633 173.363 -184.39 -112.645 PRESSAVG: 3375200 -11.3747 -18.52 52.5788 -18.5201 2.19782 -0.307918 52.5787 -0.308069 1.64312 GPRESSAVG: 3375200 -13.0814 -19.9359 53.0208 -18.9164 3.40856 -2.70852 53.0016 3.38495 1.74455 TIMING: 3375200 CPU: 10092.4, 0.0030202/step Wall: 10092.4, 0.0030202/step, 1.36312 hours remaining, 206.546875 MB of memory in use. ENERGY: 3375200 758.7078 2062.5507 1940.6298 106.2446 -205938.8757 17574.4359 0.0000 0.0000 34214.3042 -149282.0026 298.8020 -183496.3068 -149178.8974 299.2206 -72.2094 -41.5481 557710.1594 -2.5112 -2.6428 PRESSURE: 3375400 -230.783 4.27451 -11.3276 4.27456 -254.824 -266.815 -11.3267 -266.814 -262.056 GPRESSURE: 3375400 -232.76 28.2801 -76.5199 66.9222 -232.101 -187.237 70.0709 -166.781 -177.659 PRESSAVG: 3375400 0.483198 -4.95849 43.1961 -4.95849 3.89988 14.5145 43.196 14.5146 -22.9879 GPRESSAVG: 3375400 -0.109309 -4.18243 41.4758 -3.46772 4.34721 17.2902 42.1842 11.1895 -23.6509 TIMING: 3375400 CPU: 10093, 0.00300673/step Wall: 10093, 0.00300673/step, 1.35687 hours remaining, 206.546875 MB of memory in use. ENERGY: 3375400 749.7833 2068.2693 1929.1877 109.4815 -205270.9042 17181.8190 0.0000 0.0000 34077.4429 -149154.9205 297.6068 -183232.3634 -149053.7933 299.0745 -249.2211 -214.1733 556432.0686 -6.2016 -6.4710 PRESSURE: 3375600 119.322 256.05 -113.318 256.051 266.501 -71.9567 -113.319 -71.9561 89.9498 GPRESSURE: 3375600 195.759 210.771 -169.388 270.398 275.097 -49.0096 -123.904 -155.852 94.1854 PRESSAVG: 3375600 -26.0283 8.97139 23.689 8.97141 -0.896864 -20.8151 23.6889 -20.8151 19.0741 GPRESSAVG: 3375600 -25.1664 10.2665 23.3432 6.41998 -0.885468 -21.4668 24.3443 -22.0908 18.6629 TIMING: 3375600 CPU: 10093.6, 0.00302662/step Wall: 10093.6, 0.00302662/step, 1.36568 hours remaining, 206.546875 MB of memory in use. ENERGY: 3375600 719.8978 2106.2910 1932.2702 108.1739 -206515.2642 18093.1740 0.0000 0.0000 34386.5577 -149168.8995 300.3064 -183555.4572 -149079.9138 299.3324 158.5907 188.3472 557356.9488 -2.6170 -2.4630 PRESSURE: 3375800 -111.926 -157.66 155.539 -157.66 -189.504 -26.2592 155.538 -26.2614 143.968 GPRESSURE: 3375800 -83.1683 -141.452 113.654 -158.916 -122.957 32.3613 152.268 52.7445 138.043 PRESSAVG: 3375800 51.5849 12.7821 0.815191 12.782 -24.5504 14.7261 0.81512 14.7262 -1.90159 GPRESSAVG: 3375800 50.7887 11.0427 3.08161 16.1313 -25.2061 13.7177 -0.0562003 15.3193 -0.199368 TIMING: 3375800 CPU: 10094.2, 0.00300179/step Wall: 10094.2, 0.00300179/step, 1.35431 hours remaining, 206.546875 MB of memory in use. ENERGY: 3375800 780.8929 2076.3326 1927.5177 110.6597 -206040.0094 17748.9774 0.0000 0.0000 34164.5695 -149231.0596 298.3677 -183395.6290 -149141.5055 298.8701 -52.4874 -22.6943 557116.3389 8.3776 8.4611 PRESSURE: 3376000 -121.207 174.642 149.356 174.643 -160.85 50.645 149.356 50.6448 -79.3884 GPRESSURE: 3376000 -92.9022 165.895 242.892 123.267 -109.832 30.6565 117.417 74.6067 -63.7747 PRESSAVG: 3376000 -30.5906 22.3662 -2.94199 22.3663 50.5141 17.0959 -2.94207 17.0959 -33.5094 GPRESSAVG: 3376000 -29.6337 22.5048 -4.79479 20.5171 50.059 17.0629 -0.415364 17.2227 -33.7417 TIMING: 3376000 CPU: 10094.8, 0.00302426/step Wall: 10094.8, 0.00302426/step, 1.36428 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: 3376000 742.7806 2140.5400 1956.4369 117.0328 -205871.0594 17560.5470 0.0000 0.0000 34333.2471 -149020.4750 299.8408 -183353.7221 -148928.4368 298.9802 -120.4816 -88.8362 558763.7060 -4.5286 -4.4388 PRESSURE: 3376200 -264.362 58.9437 33.9063 58.9422 87.7166 10.7776 33.906 10.7771 -271.25 GPRESSURE: 3376200 -185.089 79.1628 115.602 48.0701 102.279 -43.8541 -60.4842 36.9263 -247.735 PRESSAVG: 3376200 -7.07151 8.17905 5.78166 8.179 3.8093 -14.5747 5.78164 -14.5747 43.0353 GPRESSAVG: 3376200 -7.28602 8.23084 7.78733 7.50583 4.73745 -13.883 3.22656 -13.5921 42.6573 TIMING: 3376200 CPU: 10095.4, 0.00303088/step Wall: 10095.4, 0.00303088/step, 1.36709 hours remaining, 206.546875 MB of memory in use. ENERGY: 3376200 748.2136 2118.7244 1952.7177 120.7707 -206189.2585 17790.4585 0.0000 0.0000 34376.7216 -149081.6520 300.2205 -183458.3737 -148978.5819 299.5210 -149.2983 -110.1818 558838.2540 13.2577 13.3696 LDB: ============= START OF LOAD BALANCING ============== 10098.9 LDB: ============== END OF LOAD BALANCING =============== 10098.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10098.9 LDB: ============= START OF LOAD BALANCING ============== 10099.2 LDB: Largest compute 4820 load 0.026287 is 22.3% of average load 0.118035 LDB: Average compute 0.001736 is 1.5% of average load 0.118035 LDB: TIME 10099.2 LOAD: AVG 0.118035 MAX 0.21089 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.09 MB LDB: TIME 10099.2 LOAD: AVG 0.118035 MAX 0.21089 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: TIME 10099.2 LOAD: AVG 0.118035 MAX 0.21089 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.148 MB LDB: ============== END OF LOAD BALANCING =============== 10099.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10099.2 PRESSURE: 3376400 -14.1075 -39.9996 -123.635 -39.9995 -225.314 11.6202 -123.634 11.6207 19.9405 GPRESSURE: 3376400 -21.9786 -11.9748 -108.431 -49.6033 -163.922 -17.8762 -19.1536 -7.47131 55.027 PRESSAVG: 3376400 -19.2723 -55.1975 -2.92141 -55.1975 5.41758 -69.6396 -2.92148 -69.6395 42.4009 GPRESSAVG: 3376400 -20.0277 -54.7514 -3.69673 -55.7764 4.58781 -70.4988 -2.28391 -69.6877 42.8448 TIMING: 3376400 CPU: 10096.1, 0.00309048/step Wall: 10096.1, 0.00309048/step, 1.3938 hours remaining, 205.429688 MB of memory in use. ENERGY: 3376400 775.2136 2074.3031 1955.1504 105.3598 -206022.3898 17815.3727 0.0000 0.0000 34253.3669 -149043.6233 299.1432 -183296.9903 -148946.5942 299.8675 -73.1602 -43.6246 558646.3829 9.5154 9.1350 PRESSURE: 3376600 -417.426 -244.637 87.6889 -244.637 -71.3372 105.505 87.6888 105.505 -189.949 GPRESSURE: 3376600 -344.243 -243.998 12.3082 -226.704 -61.6276 130.916 95.9595 95.0857 -183.854 PRESSAVG: 3376600 33.0179 -29.8808 -16.0942 -29.8808 -53.6347 -23.1273 -16.0942 -23.1273 33.5448 GPRESSAVG: 3376600 32.6716 -30.3077 -16.5944 -28.1476 -53.2244 -21.276 -15.4813 -23.5427 33.4782 TIMING: 3376600 CPU: 10096.7, 0.00303094/step Wall: 10096.7, 0.00303094/step, 1.36679 hours remaining, 205.671875 MB of memory in use. ENERGY: 3376600 728.6923 2093.4507 1960.4353 110.6752 -205966.0519 17594.0259 0.0000 0.0000 34166.4222 -149312.3502 298.3839 -183478.7724 -149211.7950 299.4478 -226.2371 -196.5748 559293.1034 4.3093 4.3085 PRESSURE: 3376800 -52.9507 -53.7061 -197.731 -53.7054 19.7711 92.2438 -197.732 92.2435 51.415 GPRESSURE: 3376800 -58.7437 -26.312 -210.635 -59.8002 71.5262 45.9936 -169.607 99.4373 94.7947 PRESSAVG: 3376800 -55.0119 -25.7209 -25.7368 -25.7209 22.8275 33.494 -25.7368 33.4939 4.65976 GPRESSAVG: 3376800 -54.4889 -26.6183 -26.102 -24.8929 23.0698 32.3344 -26.015 33.6561 3.26554 TIMING: 3376800 CPU: 10097.3, 0.00300921/step Wall: 10097.3, 0.00300921/step, 1.35682 hours remaining, 205.671875 MB of memory in use. ENERGY: 3376800 735.6837 2113.9328 1922.6556 113.9090 -206255.9823 17742.1037 0.0000 0.0000 34239.6651 -149388.0323 299.0235 -183627.6974 -149290.8263 299.0297 6.0785 35.8591 557651.5855 -9.1749 -9.3845 PRESSURE: 3377000 -35.081 47.4005 189.136 47.4008 15.7168 80.7267 189.135 80.7266 7.95333 GPRESSURE: 3377000 -14.7544 24.1093 172.617 66.0317 64.6816 97.5903 225.203 40.2691 43.724 PRESSAVG: 3377000 -21.26 -78.4093 43.37 -78.4093 -3.568 -24.05 43.37 -24.0501 36.3343 GPRESSAVG: 3377000 -20.9916 -78.0993 43.0944 -78.5884 -4.92109 -22.0087 45.7228 -26.5262 37.6337 TIMING: 3377000 CPU: 10097.9, 0.00301899/step Wall: 10097.9, 0.00301899/step, 1.36106 hours remaining, 205.671875 MB of memory in use. ENERGY: 3377000 737.9359 2067.2432 1949.5487 117.0394 -206328.3732 17832.9780 0.0000 0.0000 34330.6676 -149292.9604 299.8183 -183623.6280 -149196.7655 298.7039 -3.8036 31.2171 556894.1800 3.8354 3.9070 PRESSURE: 3377200 -91.1879 -81.0362 124.627 -81.0374 -159.687 -3.63256 124.627 -3.63273 152.238 GPRESSURE: 3377200 -35.4705 -166.105 83.4195 -122.63 -101.292 96.8997 165.035 33.11 131.732 PRESSAVG: 3377200 31.0314 -7.22164 6.3753 -7.22156 -41.9434 6.53405 6.37521 6.53404 22.2154 GPRESSAVG: 3377200 31.6935 -8.59222 6.15028 -6.65459 -41.7476 5.3831 5.21939 9.30487 21.6403 TIMING: 3377200 CPU: 10098.5, 0.00303459/step Wall: 10098.5, 0.00303459/step, 1.36792 hours remaining, 205.671875 MB of memory in use. ENERGY: 3377200 756.4916 2093.8077 1927.8467 121.2660 -206126.4805 17735.0911 0.0000 0.0000 34181.8639 -149310.1136 298.5187 -183491.9775 -149214.3959 299.7672 -32.8790 -1.6767 556508.1263 3.7678 3.8621 PRESSURE: 3377400 -9.11661 72.256 163.632 72.2561 -49.8867 -85.3258 163.633 -85.3253 -67.6905 GPRESSURE: 3377400 17.5461 107.655 110.463 16.9082 -67.0402 -11.787 226.527 -78.0561 18.6258 PRESSAVG: 3377400 43.0329 -3.07645 46.4957 -3.07638 -45.076 1.54079 46.4956 1.54089 -68.9563 GPRESSAVG: 3377400 43.4276 -1.61085 46.2096 -2.83425 -44.9545 1.70635 48.7463 1.37795 -69.0528 TIMING: 3377400 CPU: 10099.1, 0.00302263/step Wall: 10099.1, 0.00302263/step, 1.36236 hours remaining, 205.671875 MB of memory in use. ENERGY: 3377400 731.7807 2093.2082 1938.4921 118.1190 -206104.2805 17680.0461 0.0000 0.0000 34283.2925 -149259.3418 299.4045 -183542.6343 -149162.5275 299.3874 -42.2313 -10.2895 557434.9385 -23.6665 -23.5266 PRESSURE: 3377600 89.8291 -38.9431 -71.8395 -38.9435 -214.841 6.09064 -71.8402 6.09027 -38.8681 GPRESSURE: 3377600 76.8846 -36.9739 -125.913 -111.003 -164.63 6.41386 -66.3535 22.3423 19.1199 PRESSAVG: 3377600 -46.3584 -59.1855 5.42809 -59.1855 62.1771 -14.2875 5.42803 -14.2875 18.8176 GPRESSAVG: 3377600 -48.1665 -58.2656 6.68871 -62.3845 64.5734 -15.7934 2.98207 -12.322 17.8063 TIMING: 3377600 CPU: 10099.7, 0.00302066/step Wall: 10099.7, 0.00302066/step, 1.36131 hours remaining, 205.671875 MB of memory in use. ENERGY: 3377600 756.2510 2123.4173 1916.8065 120.8620 -206447.9559 17906.7055 0.0000 0.0000 34500.2947 -149123.6190 301.2997 -183623.9137 -149029.7019 300.1739 -54.6267 -22.8753 557669.3200 11.5454 11.4044 PRESSURE: 3377800 -104.618 -105.404 -150.017 -105.405 82.2905 108.37 -150.018 108.37 -96.3795 GPRESSURE: 3377800 -103.791 -68.8348 -80.6505 -38.1628 123.764 154.733 -175.345 55.6061 -42.5282 PRESSAVG: 3377800 -10.5147 -87.5469 28.081 -87.5469 30.1908 40.2499 28.081 40.2498 -35.4627 GPRESSAVG: 3377800 -10.0384 -87.7181 29.4533 -85.9206 27.9612 41.4326 27.7343 39.2705 -33.3823 TIMING: 3377800 CPU: 10100.3, 0.00303354/step Wall: 10100.3, 0.00303354/step, 1.36694 hours remaining, 205.671875 MB of memory in use. ENERGY: 3377800 772.3383 2108.7121 1927.3053 126.6426 -206453.1077 17847.1137 0.0000 0.0000 34472.4060 -149198.5898 301.0561 -183670.9958 -149102.1643 300.4130 -39.5690 -7.5185 557452.0150 -5.2622 -5.1532 PRESSURE: 3378000 101.126 -50.208 -68.6802 -50.2082 -154.659 7.10376 -68.6803 7.10472 366.034 GPRESSURE: 3378000 149.911 -36.1724 -50.7958 -53.1796 -85.5752 69.0293 -33.7546 -5.20619 346.507 PRESSAVG: 3378000 -23.8391 30.5056 12.4737 30.5055 -35.0981 45.3514 12.4736 45.3515 47.8933 GPRESSAVG: 3378000 -23.957 31.1748 11.571 29.1537 -34.3489 45.0406 12.7255 42.892 47.4697 TIMING: 3378000 CPU: 10100.9, 0.00302634/step Wall: 10100.9, 0.00302634/step, 1.36353 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: 3378000 775.5033 2174.6515 1928.8057 122.3178 -206502.5686 17924.5985 0.0000 0.0000 34323.3124 -149253.3794 299.7540 -183576.6918 -149156.1641 300.0003 104.1672 136.9476 556336.7933 -3.6813 -3.6121 PRESSURE: 3378200 45.6465 75.2323 -63.1365 75.2322 133.873 -39.4735 -63.1368 -39.4731 -22.1898 GPRESSURE: 3378200 59.887 106.687 -43.3401 78.7099 186.652 -71.8201 -74.9214 -69.6086 8.21991 PRESSAVG: 3378200 20.13 9.78604 22.9432 9.78606 -17.4787 17.3501 22.9431 17.3501 26.7719 GPRESSAVG: 3378200 21.7408 10.3242 22.9238 10.2989 -18.5942 17.0668 21.4925 18.6356 26.537 TIMING: 3378200 CPU: 10101.5, 0.00301516/step Wall: 10101.5, 0.00301516/step, 1.35833 hours remaining, 205.792969 MB of memory in use. ENERGY: 3378200 742.5057 2099.6911 1923.0465 102.9811 -206306.7056 17877.7374 0.0000 0.0000 34291.4046 -149269.3392 299.4754 -183560.7438 -149169.4184 299.2791 52.4432 84.9197 555823.1849 9.8077 9.8945 PRESSURE: 3378400 -130.598 100.899 10.1645 100.899 81.1628 -168.037 10.164 -168.037 -18.2744 GPRESSURE: 3378400 -149.061 4.99633 72.9242 145.47 134.803 -143.187 -10.4025 -167.838 42.9322 PRESSAVG: 3378400 -24.9966 -12.7834 -27.8096 -12.7835 16.3942 -15.8453 -27.8096 -15.8452 28.8202 GPRESSAVG: 3378400 -26.2885 -14.8743 -28.4025 -11.1434 16.7272 -16.0492 -24.5333 -15.493 29.6429 TIMING: 3378400 CPU: 10102.1, 0.00302138/step Wall: 10102.1, 0.00302138/step, 1.36097 hours remaining, 205.792969 MB of memory in use. ENERGY: 3378400 727.4176 2079.3054 1947.2104 122.6612 -206590.8184 18009.4307 0.0000 0.0000 34304.2057 -149400.5874 299.5872 -183704.7931 -149294.3413 298.7754 -22.5699 9.5581 558309.7935 6.7393 6.6939 PRESSURE: 3378600 109.092 -53.4376 24.1494 -53.4363 227.862 114.427 24.1496 114.428 52.5532 GPRESSURE: 3378600 148.972 -25.1245 -48.5788 -24.7927 292.425 148.544 31.2035 113.683 51.5446 PRESSAVG: 3378600 18.7126 41.3371 -43.961 41.337 -48.626 7.99737 -43.961 7.99731 17.2173 GPRESSAVG: 3378600 20.2671 42.6992 -43.1229 41.4943 -48.9566 7.85347 -43.9023 8.54523 16.0364 TIMING: 3378600 CPU: 10102.7, 0.00304493/step Wall: 10102.7, 0.00304493/step, 1.3714 hours remaining, 205.792969 MB of memory in use. ENERGY: 3378600 780.3720 2147.9695 1943.1035 114.0741 -206473.9711 18001.7248 0.0000 0.0000 34063.8242 -149422.9030 297.4878 -183486.7272 -149325.3623 298.8571 129.8359 164.3138 557573.8100 -4.2320 -4.2177 PRESSURE: 3378800 -4.21833 208.404 -40.82 208.404 111.061 -146.57 -40.8206 -146.571 61.3874 GPRESSURE: 3378800 66.0658 176.426 24.2392 186.169 106.275 -103.727 -63.1792 -220.753 91.1998 PRESSAVG: 3378800 42.2426 24.9013 -31.8847 24.9013 -24.6077 25.1579 -31.8846 25.1579 -11.205 GPRESSAVG: 3378800 41.8628 24.268 -33.452 24.1429 -24.3335 26.1472 -33.5811 23.6445 -11.2187 TIMING: 3378800 CPU: 10103.3, 0.00305296/step Wall: 10103.3, 0.00305296/step, 1.37485 hours remaining, 205.792969 MB of memory in use. ENERGY: 3378800 790.4130 2111.7122 1961.2540 112.4910 -206660.8277 18119.9424 0.0000 0.0000 34309.9934 -149255.0218 299.6377 -183565.0151 -149166.6461 299.5585 56.0768 87.8468 557052.7617 2.1433 2.1035 PRESSURE: 3379000 -326.185 -51.9224 151.264 -51.9223 -76.4948 141.111 151.265 141.111 -57.7292 GPRESSURE: 3379000 -294.267 -80.4453 115.773 -101.476 -25.9314 137.394 140.207 77.1516 -43.3324 PRESSAVG: 3379000 7.92466 -41.4303 -7.80083 -41.4303 -28.943 -2.86628 -7.8009 -2.86642 15.0743 GPRESSAVG: 3379000 7.09337 -41.4616 -6.81733 -39.6104 -27.9937 -3.49219 -8.18953 -2.49513 14.6048 TIMING: 3379000 CPU: 10103.9, 0.00301091/step Wall: 10103.9, 0.00301091/step, 1.35575 hours remaining, 205.792969 MB of memory in use. ENERGY: 3379000 773.6342 2130.4121 1963.4860 118.3811 -205809.5162 17491.1726 0.0000 0.0000 34221.8939 -149110.5364 298.8683 -183332.4303 -149013.2781 299.1198 -153.4698 -121.1770 557429.3371 -1.9813 -2.0985 PRESSURE: 3379200 -70.4617 114.043 114.607 114.042 83.6548 0.919241 114.607 0.918296 -11.6297 GPRESSURE: 3379200 -29.3592 72.2267 97.6716 125.119 142.21 -3.30522 73.3509 -91.0876 -11.7285 PRESSAVG: 3379200 0.565588 28.2142 36.3838 28.2142 8.35473 23.2855 36.3837 23.2855 -33.524 GPRESSAVG: 3379200 0.00726328 27.8319 36.758 25.7157 8.84967 23.788 35.4061 22.8884 -33.0356 TIMING: 3379200 CPU: 10104.5, 0.00300197/step Wall: 10104.5, 0.00300197/step, 1.35155 hours remaining, 205.792969 MB of memory in use. ENERGY: 3379200 763.2187 2062.9175 1925.0875 114.0385 -206187.7258 17968.6152 0.0000 0.0000 34310.5364 -149043.3121 299.6424 -183353.8485 -148947.3429 299.6312 0.5211 33.7075 555705.5968 -8.2012 -8.0596 PRESSURE: 3379400 -114.171 110.292 -86.3905 110.293 -182.085 -134.733 -86.3904 -134.733 -183.689 GPRESSURE: 3379400 -118.157 97.8672 -55.8286 148.27 -173.447 -113.037 -173.668 -64.8524 -76.7511 PRESSAVG: 3379400 -54.2599 19.0882 -15.4766 19.0881 25.9331 14.5929 -15.4766 14.5929 22.3838 GPRESSAVG: 3379400 -53.8049 19.9399 -13.4768 20.1786 24.5616 13.1182 -14.6633 16.7463 23.6867 TIMING: 3379400 CPU: 10105.1, 0.00299645/step Wall: 10105.1, 0.00299645/step, 1.3489 hours remaining, 205.792969 MB of memory in use. ENERGY: 3379400 773.3832 2030.6782 1959.4546 125.6299 -205755.8379 17544.7499 0.0000 0.0000 34201.4612 -149120.4809 298.6899 -183321.9421 -149023.4757 299.9055 -159.9815 -122.7852 558097.0185 -1.9810 -1.8522 PRESSURE: 3379600 162.914 -343.221 99.8733 -343.221 110.69 -29.1459 99.8722 -29.1458 -108.217 GPRESSURE: 3379600 202.296 -277.755 7.27136 -376.86 145.314 -11.8176 52.6735 -41.8265 -99.9492 PRESSAVG: 3379600 -9.50639 -67.7861 -24.1102 -67.786 -21.2013 -31.2007 -24.1103 -31.2009 29.4812 GPRESSAVG: 3379600 -8.42444 -68.9298 -27.0294 -68.6928 -21.0295 -28.0366 -24.0218 -33.1387 28.4546 TIMING: 3379600 CPU: 10105.7, 0.00304413/step Wall: 10105.7, 0.00304413/step, 1.3702 hours remaining, 205.792969 MB of memory in use. ENERGY: 3379600 747.2368 2054.7400 1954.4426 113.8467 -206237.3612 17795.9224 0.0000 0.0000 34286.9810 -149284.1918 299.4367 -183571.1728 -149187.2340 298.7837 55.1289 82.5537 556402.7558 -0.4088 -0.3331 PRESSURE: 3379800 168.791 21.1559 -13.4933 21.155 -114.379 -207.372 -13.4927 -207.373 203.78 GPRESSURE: 3379800 239.712 -43.2588 -60.044 24.8966 -82.9425 -188.156 26.6778 -191.096 212.82 PRESSAVG: 3379800 73.1201 -38.6697 32.4366 -38.6698 -31.9669 -24.9035 32.4366 -24.9034 -0.70808 GPRESSAVG: 3379800 71.863 -36.9501 32.1796 -36.9681 -31.1272 -25.6787 33.1397 -24.949 -0.103812 TIMING: 3379800 CPU: 10106.4, 0.00304895/step Wall: 10106.4, 0.00304895/step, 1.3722 hours remaining, 205.792969 MB of memory in use. ENERGY: 3379800 773.0903 2087.8510 1946.1479 125.4423 -206640.6063 18191.2255 0.0000 0.0000 34083.0910 -149433.7583 297.6561 -183516.8494 -149337.2580 299.4604 86.0637 123.1963 556703.2259 13.4817 13.5440 PRESSURE: 3380000 -139.684 69.6541 152.267 69.6545 114.65 15.0504 152.266 15.0508 -274.437 GPRESSURE: 3380000 -170.507 45.3805 78.3681 74.842 185.325 38.5896 178.562 16.6275 -223.735 PRESSAVG: 3380000 -22.5947 -32.2706 -22.6374 -32.2706 13.7749 -36.1315 -22.6374 -36.1315 11.5537 GPRESSAVG: 3380000 -21.611 -34.5876 -20.0647 -32.917 13.8749 -34.8036 -24.4393 -37.4863 10.4233 TIMING: 3380000 CPU: 10107, 0.00303383/step Wall: 10107, 0.00303383/step, 1.36522 hours remaining, 205.792969 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: 3380000 746.4448 2096.6338 1956.0918 127.6713 -206244.9122 17660.8656 0.0000 0.0000 34186.7149 -149470.4900 298.5611 -183657.2049 -149374.6570 298.6965 -99.8237 -69.6393 557176.0894 0.9113 0.8957 PRESSURE: 3380200 -83.7237 -159.938 -46.9225 -159.938 -53.8522 42.2756 -46.9224 42.2777 -40.4557 GPRESSURE: 3380200 -95.0513 -190.547 -72.6771 -81.2324 1.27032 156.204 -29.4017 55.2258 9.80736 PRESSAVG: 3380200 -30.2815 -52.6023 19.5898 -52.6023 -16.6849 -7.65277 19.5899 -7.65279 66.633 GPRESSAVG: 3380200 -31.6578 -52.5403 17.7713 -51.522 -16.3098 -8.79473 22.3132 -7.39899 67.5872 TIMING: 3380200 CPU: 10107.6, 0.00302745/step Wall: 10107.6, 0.00302745/step, 1.36218 hours remaining, 205.792969 MB of memory in use. ENERGY: 3380200 749.2951 2107.8986 1983.5138 127.8856 -205970.4259 17755.9057 0.0000 0.0000 34020.1509 -149225.7761 297.1064 -183245.9270 -149126.9097 299.2141 -59.3439 -27.9912 558433.6228 6.5556 6.5399 LDB: ============= START OF LOAD BALANCING ============== 10111 LDB: ============== END OF LOAD BALANCING =============== 10111 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10111 LDB: ============= START OF LOAD BALANCING ============== 10111.3 LDB: Largest compute 4820 load 0.027832 is 23.6% of average load 0.118010 LDB: Average compute 0.001739 is 1.5% of average load 0.118010 LDB: TIME 10111.3 LOAD: AVG 0.11801 MAX 0.207263 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.219 MB LDB: TIME 10111.3 LOAD: AVG 0.11801 MAX 0.207263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.219 MB LDB: TIME 10111.3 LOAD: AVG 0.11801 MAX 0.207263 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.219 MB LDB: ============== END OF LOAD BALANCING =============== 10111.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10111.3 PRESSURE: 3380400 -219.337 24.2967 3.57849 24.2964 109.43 167.3 3.57819 167.299 156.724 GPRESSURE: 3380400 -174.793 4.65347 19.4332 26.8011 130.612 182.229 -107.219 41.2169 203.668 PRESSAVG: 3380400 -52.3791 -22.2396 16.377 -22.2396 20.6078 11.7802 16.3769 11.7801 68.9498 GPRESSAVG: 3380400 -51.2451 -21.7653 15.3667 -21.1221 20.1062 11.9986 14.4132 12.0978 68.5542 TIMING: 3380400 CPU: 10108.2, 0.00308802/step Wall: 10108.2, 0.00308802/step, 1.38926 hours remaining, 205.996094 MB of memory in use. ENERGY: 3380400 741.3038 2028.1554 1970.0354 109.5284 -206144.3705 17877.3384 0.0000 0.0000 34334.9505 -149083.0585 299.8557 -183418.0091 -148981.2178 299.2107 15.6054 53.1624 557959.6587 12.3928 12.4718 PRESSURE: 3380600 -36.4985 9.38874 -150.622 9.38788 -164.509 197.401 -150.623 197.401 198.573 GPRESSURE: 3380600 12.4798 20.2903 -111.348 25.357 -204.054 223.247 -198.439 35.5868 286.641 PRESSAVG: 3380600 25.9355 -12.3185 -32.1823 -12.3184 -44.1171 40.8024 -32.1823 40.8024 1.02604 GPRESSAVG: 3380600 26.9253 -12.0615 -32.9283 -15.1406 -44.9658 39.8977 -31.1846 40.7315 0.141748 TIMING: 3380600 CPU: 10108.8, 0.00304038/step Wall: 10108.8, 0.00304038/step, 1.36766 hours remaining, 205.996094 MB of memory in use. ENERGY: 3380600 777.7039 2036.0160 1939.2237 103.7443 -205929.3457 17707.5854 0.0000 0.0000 34404.5405 -148960.5320 300.4634 -183365.0725 -148862.9513 299.3854 -0.8114 31.6889 556494.1881 -5.7185 -5.9662 PRESSURE: 3380800 -343.621 89.3026 197.126 89.303 -434.132 31.0746 197.127 31.0742 -109.378 GPRESSURE: 3380800 -328.463 197.296 149.342 52.0584 -392.312 5.80021 237.657 97.2971 -60.4999 PRESSAVG: 3380800 -15.4156 35.2796 -24.9683 35.2794 -29.7387 29.415 -24.9684 29.4149 -15.6211 GPRESSAVG: 3380800 -16.2024 35.7298 -25.5586 36.0783 -29.7666 29.9084 -24.4395 29.8925 -14.553 TIMING: 3380800 CPU: 10109.4, 0.00302693/step Wall: 10109.4, 0.00302693/step, 1.36144 hours remaining, 205.996094 MB of memory in use. ENERGY: 3380800 733.9775 2041.3530 1961.0824 112.6683 -205514.6159 17360.3041 0.0000 0.0000 34254.8446 -149050.3860 299.1561 -183305.2305 -148961.2443 299.7121 -295.7105 -260.4248 558692.3896 -20.2585 -20.1740 PRESSURE: 3381000 101.307 -14.4336 -25.8841 -14.4342 -158.993 -137.372 -25.8832 -137.37 178.549 GPRESSURE: 3381000 154.481 68.9267 -74.975 -10.9503 -122.61 -91.7626 21.5466 -125.376 178.182 PRESSAVG: 3381000 1.0545 -0.428107 -29.3053 -0.428084 11.391 22.4201 -29.3053 22.42 38.2899 GPRESSAVG: 3381000 0.798162 -1.20761 -29.4652 0.113924 13.0394 21.441 -29.7851 21.968 36.9839 TIMING: 3381000 CPU: 10110, 0.00303994/step Wall: 10110, 0.00303994/step, 1.36713 hours remaining, 205.996094 MB of memory in use. ENERGY: 3381000 670.8322 2089.0552 1968.3438 120.0441 -205890.0105 17664.9497 0.0000 0.0000 34241.8871 -149134.8984 299.0429 -183376.7855 -149040.6279 299.0649 40.2874 70.0176 557485.0629 16.9118 16.9405 PRESSURE: 3381200 51.1013 21.8836 -2.94935 21.884 -185.449 65.9058 -2.95003 65.9041 -9.88967 GPRESSURE: 3381200 90.4776 -106.866 18.745 47.0126 -83.786 87.8347 5.36184 31.7731 -53.9852 PRESSAVG: 3381200 -7.65305 -54.6921 30.1886 -54.6922 -41.9039 10.5719 30.1887 10.5718 52.5361 GPRESSAVG: 3381200 -6.88773 -57.2925 30.956 -55.0476 -43.055 11.9514 28.9264 10.3385 52.7457 TIMING: 3381200 CPU: 10110.6, 0.00304188/step Wall: 10110.6, 0.00304189/step, 1.36783 hours remaining, 205.996094 MB of memory in use. ENERGY: 3381200 741.6847 2070.7704 1943.0570 111.6969 -206352.4180 17936.1905 0.0000 0.0000 34467.0458 -149081.9727 301.0093 -183549.0185 -148982.8532 299.8641 -48.0791 -15.7645 558553.8561 0.9930 0.9343 PRESSURE: 3381400 34.0246 44.1203 40.3949 44.1205 -297.438 -53.1724 40.397 -53.1734 -97.7411 GPRESSURE: 3381400 86.3798 12.8826 -47.0008 -1.20302 -243.112 -89.2209 41.9956 34.0933 -98.489 PRESSAVG: 3381400 10.7246 -20.0302 11.5462 -20.0302 -28.518 61.689 11.5461 61.6891 31.0763 GPRESSAVG: 3381400 10.6467 -17.9551 11.4067 -21.6827 -28.3377 61.423 12.8951 62.9616 31.0311 TIMING: 3381400 CPU: 10111.2, 0.00301681/step Wall: 10111.2, 0.00301681/step, 1.35639 hours remaining, 205.996094 MB of memory in use. ENERGY: 3381400 751.8956 2052.8015 1981.4490 113.8528 -205433.8933 17553.5783 0.0000 0.0000 33977.9146 -149002.4016 296.7376 -182980.3162 -148904.3010 299.6893 -120.3847 -85.0737 558789.2955 4.4276 4.4467 PRESSURE: 3381600 -266.07 109.062 -61.3615 109.062 -240.312 43.7485 -61.3615 43.7498 -153.83 GPRESSURE: 3381600 -260.531 48.6382 14.3737 92.0548 -193.351 163.528 -175.539 14.4832 -110.019 PRESSAVG: 3381600 -48.3807 25.1926 -11.8925 25.1926 47.1309 3.59561 -11.8926 3.59565 10.0704 GPRESSAVG: 3381600 -47.1847 24.8918 -9.3898 27.1424 46.0273 2.77012 -13.529 4.56503 9.68535 TIMING: 3381600 CPU: 10111.8, 0.00302381/step Wall: 10111.8, 0.00302381/step, 1.35937 hours remaining, 205.996094 MB of memory in use. ENERGY: 3381600 731.2943 2130.6474 1953.9897 106.9052 -205821.7769 17496.5118 0.0000 0.0000 34420.4912 -148981.9373 300.6027 -183402.4285 -148882.8120 300.2451 -220.0708 -187.9667 558360.7031 2.9402 2.8426 PRESSURE: 3381800 -347.821 -1.6822 -108.166 -1.68202 -91.7288 71.6571 -108.166 71.6579 -200.43 GPRESSURE: 3381800 -243.785 26.6913 -137.672 -118.531 -103.364 109.374 -112.637 69.5434 -191.521 PRESSAVG: 3381800 -64.8134 10.8513 -19.9 10.8512 99.8743 25.701 -19.9001 25.7009 -49.4658 GPRESSAVG: 3381800 -65.5518 11.4432 -22.8386 9.87799 100.97 28.4847 -17.7409 23.6044 -49.5902 TIMING: 3381800 CPU: 10112.4, 0.00303917/step Wall: 10112.4, 0.00303917/step, 1.36611 hours remaining, 205.996094 MB of memory in use. ENERGY: 3381800 722.4410 2075.0423 1933.8723 106.0601 -205591.4036 17334.3344 0.0000 0.0000 34261.5226 -149158.1309 299.2144 -183419.6535 -149062.1621 299.8327 -213.3265 -179.5566 557107.2659 -4.8016 -4.7240 PRESSURE: 3382000 -37.3425 36.697 123.592 36.6965 -225.182 49.4939 123.593 49.4934 -142.693 GPRESSURE: 3382000 24.8277 75.9312 17.6122 -45.4272 -200.508 46.2806 120.022 41.7556 -151.647 PRESSAVG: 3382000 -33.6146 13.0147 -58.8322 13.0147 82.6136 5.30269 -58.8323 5.30276 -6.70596 GPRESSAVG: 3382000 -32.8443 13.2668 -56.8131 12.6416 81.114 2.40713 -59.5241 5.89407 -6.87339 TIMING: 3382000 CPU: 10113, 0.00304253/step Wall: 10113, 0.00304252/step, 1.36745 hours remaining, 205.996094 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: 3382000 738.5223 2086.9171 1948.3996 112.8474 -206261.7730 17630.1073 0.0000 0.0000 34420.2747 -149324.7045 300.6008 -183744.9792 -149239.6528 299.5964 -135.0725 -109.1091 557255.9043 14.0977 13.7988 PRESSURE: 3382200 45.651 -17.4515 -109.389 -17.4517 32.8148 177.62 -109.389 177.62 -38.3165 GPRESSURE: 3382200 47.8467 -33.6441 -21.3336 -22.0081 90.6053 256.553 -165.442 68.6086 8.88891 PRESSAVG: 3382200 -27.967 -2.60373 -19.6891 -2.60372 57.2672 19.3517 -19.6892 19.3517 -6.14416 GPRESSAVG: 3382200 -30.1433 -5.58624 -21.3438 0.0282208 57.7328 22.5954 -19.3304 19.1653 -4.66057 TIMING: 3382200 CPU: 10113.6, 0.00302213/step Wall: 10113.6, 0.00302213/step, 1.35811 hours remaining, 205.996094 MB of memory in use. ENERGY: 3382200 735.8763 2092.2536 1928.4136 119.6422 -206083.3213 17665.0809 0.0000 0.0000 34196.1470 -149345.9077 298.6435 -183542.0546 -149245.8861 299.4242 13.3831 49.1136 556288.8169 7.7187 7.6430 PRESSURE: 3382400 -199.131 -20.9597 -16.4217 -20.9596 -98.1267 -33.7542 -16.4225 -33.7529 -169.74 GPRESSURE: 3382400 -162.357 58.0996 -103.432 -137.479 -88.2988 -31.3115 29.8865 -67.1309 -115.447 PRESSAVG: 3382400 -76.1416 -23.3805 -50.212 -23.3805 -14.0864 16.3227 -50.2121 16.3227 43.2072 GPRESSAVG: 3382400 -76.2721 -21.4875 -49.7675 -25.4288 -12.9489 14.6719 -52.2049 15.9068 42.0312 TIMING: 3382400 CPU: 10114.2, 0.00302839/step Wall: 10114.2, 0.00302839/step, 1.36075 hours remaining, 205.996094 MB of memory in use. ENERGY: 3382400 772.8424 2110.8026 1918.9927 111.0840 -205991.5758 17776.3310 0.0000 0.0000 34246.5244 -149054.9987 299.0834 -183301.5231 -148955.4763 298.6710 -155.6659 -122.0343 559124.6322 -15.6736 -15.7299 PRESSURE: 3382600 72.476 -34.624 -26.6042 -34.6232 103.515 17.31 -26.6048 17.3098 9.98868 GPRESSURE: 3382600 105.599 -44.6475 -50.3625 11.157 90.8533 0.783398 25.7006 5.70037 77.0751 PRESSAVG: 3382600 -81.0895 -0.919988 -32.957 -0.919953 20.2156 22.799 -32.957 22.799 38.7094 GPRESSAVG: 3382600 -80.7811 -0.37073 -32.3819 -1.18418 19.3904 20.8402 -31.3583 24.7249 39.072 TIMING: 3382600 CPU: 10114.9, 0.00303715/step Wall: 10114.9, 0.00303715/step, 1.36452 hours remaining, 205.996094 MB of memory in use. ENERGY: 3382600 753.6452 2069.0511 1943.8851 116.0503 -206270.1878 17832.2883 0.0000 0.0000 34427.7335 -149127.5342 300.6660 -183555.2678 -149031.2300 299.4507 61.9931 91.1759 556397.3307 -7.3881 -7.4396 PRESSURE: 3382800 -297.857 109.669 -14.2039 109.669 -19.2465 -189.378 -14.2034 -189.377 118.305 GPRESSURE: 3382800 -254.686 167.622 33.7611 34.7735 55.9109 -226.849 -75.0492 -151.117 102.167 PRESSAVG: 3382800 -56.3674 -25.9561 2.9133 -25.9561 35.1675 3.21239 2.91324 3.21242 21.8456 GPRESSAVG: 3382800 -55.7209 -26.0269 2.18515 -25.1379 34.9027 5.67377 1.74605 1.92883 21.0752 TIMING: 3382800 CPU: 10115.5, 0.00304975/step Wall: 10115.5, 0.00304975/step, 1.37002 hours remaining, 205.996094 MB of memory in use. ENERGY: 3382800 710.3348 2081.7079 1914.1159 109.9402 -205956.7538 17723.0629 0.0000 0.0000 34313.4048 -149104.1872 299.6675 -183417.5920 -149006.3571 299.4415 -66.2660 -32.2029 557647.7901 0.2152 0.0857 PRESSURE: 3383000 -82.294 -32.2033 -104.551 -32.204 207.314 -43.167 -104.551 -43.166 -8.01326 GPRESSURE: 3383000 -1.70623 8.48325 -124.499 -70.9574 210.369 57.3982 -108.871 -65.949 10.7207 PRESSAVG: 3383000 -43.6905 -6.46261 -31.9769 -6.46268 99.8916 39.8721 -31.9769 39.8721 -47.3325 GPRESSAVG: 3383000 -44.1421 -7.2446 -31.8234 -6.79588 100.271 39.2016 -30.7152 38.0776 -47.5126 TIMING: 3383000 CPU: 10116.1, 0.00305709/step Wall: 10116.1, 0.00305709/step, 1.37314 hours remaining, 205.996094 MB of memory in use. ENERGY: 3383000 737.8639 1998.9198 1923.3173 101.9539 -206233.8496 17995.7018 0.0000 0.0000 34240.9092 -149235.1837 299.0344 -183476.0928 -149137.6969 299.1479 39.0024 73.1279 558279.8444 2.9562 2.8722 PRESSURE: 3383200 -144.872 18.098 59.8699 18.097 -147.821 22.1189 59.8693 22.1196 -131.448 GPRESSURE: 3383200 -118.196 30.4502 -40.4254 12.0087 -138.885 56.5291 -10.7098 8.76505 -79.947 PRESSAVG: 3383200 -11.3307 -37.427 29.8114 -37.427 -30.0238 -27.0492 29.8116 -27.0492 24.1903 GPRESSAVG: 3383200 -11.1028 -38.3 31.6704 -37.5191 -30.8007 -26.9045 28.8207 -25.5326 25.234 TIMING: 3383200 CPU: 10116.7, 0.00304813/step Wall: 10116.7, 0.00304813/step, 1.36895 hours remaining, 205.996094 MB of memory in use. ENERGY: 3383200 756.8704 2075.0404 1938.8971 117.1742 -206002.2125 17667.1175 0.0000 0.0000 34184.3775 -149262.7353 298.5407 -183447.1129 -149165.6163 298.7862 -141.3805 -112.3425 558691.4771 -5.7214 -5.5565 PRESSURE: 3383400 -212.104 -62.0012 120.012 -62.002 -302.935 -20.1884 120.011 -20.1888 122.544 GPRESSURE: 3383400 -154.198 -10.0043 62.7272 -109.894 -310.054 -96.0076 178.27 -8.86485 165.605 PRESSAVG: 3383400 -3.6244 -48.9848 8.13324 -48.9848 -47.2806 3.72399 8.13323 3.72402 61.779 GPRESSAVG: 3383400 -3.7096 -47.9526 5.04141 -50.226 -47.2546 1.12027 8.93545 6.5616 61.2302 TIMING: 3383400 CPU: 10117.3, 0.00303107/step Wall: 10117.3, 0.00303107/step, 1.36112 hours remaining, 205.996094 MB of memory in use. ENERGY: 3383400 779.6471 2041.5385 1936.0725 112.8917 -205707.9071 17515.9794 0.0000 0.0000 34105.6356 -149216.1424 297.8530 -183321.7780 -149120.1516 299.2620 -130.8319 -99.5491 558724.1436 3.6247 3.4220 PRESSURE: 3383600 -102.203 -36.0736 -119.395 -36.0738 -178.835 16.2247 -119.394 16.2242 -14.3869 GPRESSURE: 3383600 -55.9617 -4.69626 -138.252 -37.2552 -111.15 -45.9703 -113.883 54.6768 -29.5803 PRESSAVG: 3383600 13.0489 -53.7001 -25.8684 -53.7001 -14.3049 40.8652 -25.8683 40.8653 -37.9257 GPRESSAVG: 3383600 13.1502 -55.9018 -23.9647 -51.4585 -13.7113 40.4876 -28.4619 39.9745 -38.5404 TIMING: 3383600 CPU: 10117.9, 0.00303864/step Wall: 10117.9, 0.00303864/step, 1.36435 hours remaining, 205.996094 MB of memory in use. ENERGY: 3383600 764.6340 2058.5501 1918.8789 116.5577 -205760.5544 17691.7431 0.0000 0.0000 34119.8965 -149090.2941 297.9775 -183210.1906 -148999.0867 299.1268 -98.4748 -65.5639 557938.3244 -13.0606 -13.0339 PRESSURE: 3383800 -198.145 116.963 76.7441 116.965 4.04022 155.454 76.7447 155.454 31.0255 GPRESSURE: 3383800 -182.549 125.693 104.928 122.807 18.03 118.557 39.6778 159.333 94.4293 PRESSAVG: 3383800 9.73017 9.74424 -18.1264 9.74418 15.4733 32.5938 -18.1264 32.5938 -44.1726 GPRESSAVG: 3383800 9.6432 11.9336 -19.8651 9.00488 15.1257 34.357 -14.5011 31.3092 -43.694 TIMING: 3383800 CPU: 10118.5, 0.00304769/step Wall: 10118.5, 0.00304769/step, 1.36825 hours remaining, 205.996094 MB of memory in use. ENERGY: 3383800 721.3356 2033.7541 1924.0782 116.6287 -205942.2685 17554.6391 0.0000 0.0000 34217.0763 -149374.7566 298.8262 -183591.8329 -149274.5339 299.0968 -54.3597 -23.3631 558679.8032 -6.3230 -6.3084 PRESSURE: 3384000 -233.006 12.579 -17.1106 12.5783 -47.0325 177.723 -17.1115 177.722 -295.925 GPRESSURE: 3384000 -222.515 49.8994 34.3362 4.04294 -53.5323 205.59 -78.2826 150.538 -205.294 PRESSAVG: 3384000 -68.9077 44.9322 28.0887 44.9322 60.0002 91.8702 28.0887 91.8703 17.1519 GPRESSAVG: 3384000 -68.5376 44.7695 31.7113 43.4329 59.5889 91.9802 25.0671 91.0005 17.147 TIMING: 3384000 CPU: 10119.1, 0.00302694/step Wall: 10119.1, 0.00302694/step, 1.35876 hours remaining, 205.996094 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: 3384000 797.0714 2054.2569 1952.3975 117.0598 -206224.4332 17671.0435 0.0000 0.0000 34310.0914 -149322.5126 299.6386 -183632.6041 -149227.9020 298.9025 -191.9878 -160.4472 557895.9585 2.7481 2.7328 PRESSURE: 3384200 77.7846 168.307 238.182 168.306 -20.38 36.679 238.181 36.6789 -6.40364 GPRESSURE: 3384200 49.786 117.508 194.797 144.267 23.904 48.7061 219.621 6.36153 80.8509 PRESSAVG: 3384200 -44.075 3.80658 64.9417 3.80658 4.69719 17.3227 64.9417 17.3226 5.53516 GPRESSAVG: 3384200 -44.2771 2.91244 62.2417 4.26953 5.54692 18.1889 67.342 18.4958 4.96662 TIMING: 3384200 CPU: 10119.7, 0.00302889/step Wall: 10119.7, 0.00302889/step, 1.35947 hours remaining, 205.996094 MB of memory in use. ENERGY: 3384200 743.4945 2026.9681 1932.3035 104.1740 -206103.1641 17805.6664 0.0000 0.0000 34165.4670 -149325.0906 298.3755 -183490.5576 -149230.7665 299.4523 17.0003 51.5136 557231.6555 -11.2809 -11.2545 LDB: ============= START OF LOAD BALANCING ============== 10123.2 LDB: ============== END OF LOAD BALANCING =============== 10123.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10123.2 LDB: ============= START OF LOAD BALANCING ============== 10123.5 LDB: Largest compute 4820 load 0.028865 is 24.5% of average load 0.117996 LDB: Average compute 0.001740 is 1.5% of average load 0.117996 LDB: TIME 10123.5 LOAD: AVG 0.117996 MAX 0.206981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.707 MB LDB: TIME 10123.5 LOAD: AVG 0.117996 MAX 0.206981 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.777 MB LDB: TIME 10123.5 LOAD: AVG 0.117996 MAX 0.206981 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10123.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10123.5 PRESSURE: 3384400 -325.34 -120.111 -50.285 -120.111 -80.9299 78.4674 -50.2862 78.4674 7.36834 GPRESSURE: 3384400 -331.557 -91.9587 23.8664 -41.3914 -36.6059 -7.96687 -66.9385 12.3985 74.7797 PRESSAVG: 3384400 -44.8175 -27.9694 59.8965 -27.9693 82.6978 -41.2913 59.8965 -41.2913 2.47391 GPRESSAVG: 3384400 -44.6396 -28.1301 59.9685 -26.2568 82.4428 -40.5192 58.4453 -43.5552 2.90496 TIMING: 3384400 CPU: 10120.3, 0.00308852/step Wall: 10120.3, 0.00308852/step, 1.38606 hours remaining, 206.511719 MB of memory in use. ENERGY: 3384400 720.2053 2051.5273 1946.3594 109.7707 -205687.2025 17497.7541 0.0000 0.0000 34126.4665 -149235.1193 298.0349 -183361.5858 -149137.0626 298.9779 -132.9671 -97.7943 557293.9119 13.4514 13.5694 PRESSURE: 3384600 -61.9326 156.269 137.896 156.271 -193.498 -29.3319 137.896 -29.3322 -124.953 GPRESSURE: 3384600 40.1416 127.107 170.329 33.2844 -130.664 -111.468 174.499 17.2173 -192.122 PRESSAVG: 3384600 2.31844 0.819567 53.6073 0.819514 -38.7838 31.0561 53.6072 31.056 -5.18336 GPRESSAVG: 3384600 4.21359 1.53015 54.3029 -0.550213 -40.1986 28.0766 53.5054 32.9078 -5.82883 TIMING: 3384600 CPU: 10120.9, 0.00300344/step Wall: 10120.9, 0.00300344/step, 1.34771 hours remaining, 206.511719 MB of memory in use. ENERGY: 3384600 771.9905 2051.0933 1937.2205 123.0299 -206062.0824 17664.1159 0.0000 0.0000 34228.1049 -149286.5274 298.9226 -183514.6322 -149186.2275 298.9775 -126.7943 -94.2148 557277.8931 -13.8829 -13.9379 PRESSURE: 3384800 -18.4118 -50.0865 147.905 -50.0855 -43.6232 117.555 147.904 117.555 19.4515 GPRESSURE: 3384800 61.9894 74.6287 147.593 -54.3102 -44.6404 187.555 173.108 155.207 38.3798 PRESSAVG: 3384800 10.0515 28.5572 60.7753 28.5573 -54.6089 18.3947 60.7754 18.3947 35.4289 GPRESSAVG: 3384800 8.95686 28.7879 58.299 28.301 -53.1434 21.2398 62.6369 19.6048 35.8701 TIMING: 3384800 CPU: 10121.5, 0.00302698/step Wall: 10121.5, 0.00302698/step, 1.3581 hours remaining, 206.511719 MB of memory in use. ENERGY: 3384800 747.1950 2095.3568 1946.8633 102.3948 -206493.2913 17883.0105 0.0000 0.0000 34395.4117 -149323.0593 300.3837 -183718.4710 -149227.5376 298.9917 -14.1945 18.5762 555898.2359 -3.0428 -2.7721 PRESSURE: 3385000 -24.6216 0.4716 121.687 0.473219 -7.95118 -146.25 121.686 -146.25 -168.043 GPRESSURE: 3385000 -2.08822 -66.3597 203.303 -85.6915 37.0928 -180.254 103.294 -132.256 -142.8 PRESSAVG: 3385000 71.0938 50.1152 36.2333 50.1153 -82.8481 -18.0846 36.2333 -18.0846 33.9539 GPRESSAVG: 3385000 71.0846 49.2511 38.0152 52.0915 -82.6294 -18.5897 33.5211 -17.6735 34.2529 TIMING: 3385000 CPU: 10122.2, 0.00304922/step Wall: 10122.2, 0.00304922/step, 1.36791 hours remaining, 206.511719 MB of memory in use. ENERGY: 3385000 651.4589 2038.7975 1929.3836 121.1218 -205717.1646 17612.9865 0.0000 0.0000 33953.3654 -149410.0510 296.5232 -183363.4164 -149314.3516 298.7333 -66.8720 -35.9316 559720.8919 7.3999 7.5694 PRESSURE: 3385200 -162.137 106.97 129.566 106.968 -41.9011 22.9699 129.565 22.9685 -27.8309 GPRESSURE: 3385200 -158.245 96.5986 187.088 41.3692 -33.7214 -16.5719 177.634 78.4632 52.246 PRESSAVG: 3385200 -16.7528 23.4259 11.1472 23.4259 24.7896 25.0655 11.1473 25.0656 6.99984 GPRESSAVG: 3385200 -17.0576 24.288 9.72473 21.1263 24.0268 25.0391 13.4449 21.97 7.82729 TIMING: 3385200 CPU: 10122.8, 0.00304093/step Wall: 10122.8, 0.00304093/step, 1.36403 hours remaining, 206.511719 MB of memory in use. ENERGY: 3385200 723.0568 2093.2149 1964.4092 101.4901 -206426.5501 17877.8341 0.0000 0.0000 34296.2191 -149370.3258 299.5174 -183666.5450 -149281.2703 299.3145 -77.2896 -46.5736 557531.7199 5.0122 4.9322 PRESSURE: 3385400 -196.697 4.68379 31.7426 4.68406 -75.6375 35.3636 31.7432 35.3632 -174.516 GPRESSURE: 3385400 -94.1031 17.7424 135.505 48.5016 -104.923 14.0682 90.5319 17.2468 -155.132 PRESSAVG: 3385400 14.1616 39.7027 77.2022 39.7026 77.9607 13.1848 77.2023 13.1848 -114.194 GPRESSAVG: 3385400 14.5808 38.7086 79.5635 40.3561 77.3008 14.9 76.7681 13.569 -114.434 TIMING: 3385400 CPU: 10123.4, 0.00302632/step Wall: 10123.4, 0.00302632/step, 1.35731 hours remaining, 206.511719 MB of memory in use. ENERGY: 3385400 733.1057 2046.6036 1937.6431 119.0556 -206116.5644 17708.8253 0.0000 0.0000 34240.7694 -149330.5617 299.0332 -183571.3311 -149231.8045 299.7848 -148.9501 -118.0527 558011.8822 -7.3573 -7.5173 PRESSURE: 3385600 30.3406 -188.379 177.873 -188.379 -170.677 110.183 177.875 110.184 15.6222 GPRESSURE: 3385600 39.0608 -181.149 184.293 -282.543 -81.7703 33.3638 156.864 53.3894 13.1033 PRESSAVG: 3385600 15.9958 28.9623 14.3594 28.9622 3.61361 11.5382 14.3595 11.5381 2.61669 GPRESSAVG: 3385600 16.4885 30.0537 13.9899 28.9628 5.14425 10.5962 14.8384 12.245 0.815316 TIMING: 3385600 CPU: 10124, 0.00301787/step Wall: 10124, 0.00301787/step, 1.35335 hours remaining, 206.511719 MB of memory in use. ENERGY: 3385600 738.9060 2074.1303 1956.7362 113.3111 -206208.8409 17810.2179 0.0000 0.0000 34341.1624 -149174.3770 299.9099 -183515.5394 -149079.9104 300.0218 -41.5714 -9.8687 559030.2449 7.4087 7.4827 PRESSURE: 3385800 -119.702 164.826 -53.1996 164.826 -318.195 60.8835 -53.1993 60.8839 61.9907 GPRESSURE: 3385800 -102.326 110.934 -76.9868 244.725 -316.019 22.1666 -176.466 79.7288 150.937 PRESSAVG: 3385800 8.35949 8.09542 7.01366 8.09545 -35.9222 -15.2983 7.01364 -15.2983 11.2494 GPRESSAVG: 3385800 7.95258 6.07653 7.64976 10.0965 -36.1172 -16.6038 4.52548 -17.3376 12.0885 TIMING: 3385800 CPU: 10124.6, 0.00301804/step Wall: 10124.6, 0.00301804/step, 1.35326 hours remaining, 206.511719 MB of memory in use. ENERGY: 3385800 736.8287 2090.3234 1954.3620 110.1091 -205916.6865 17673.5895 0.0000 0.0000 34264.2680 -149087.2056 299.2384 -183351.4736 -148985.5295 300.1502 -125.3019 -89.1359 559129.0561 -5.4378 -5.3587 PRESSURE: 3386000 -90.3668 -12.1037 105.937 -12.1042 -18.5121 -119.978 105.938 -119.977 -165.102 GPRESSURE: 3386000 -104.038 27.5597 154.691 -111.844 79.0739 -125.144 92.5859 -75.0585 -166.505 PRESSAVG: 3386000 -53.777 -24.8542 -20.8504 -24.8541 -26.3619 -48.9653 -20.8504 -48.9654 42.1947 GPRESSAVG: 3386000 -54.3251 -22.2257 -20.9917 -25.9143 -26.3165 -51.191 -18.8697 -46.0473 42.8423 TIMING: 3386000 CPU: 10125.2, 0.00302467/step Wall: 10125.2, 0.00302467/step, 1.35606 hours remaining, 206.511719 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: 3386000 772.6794 2092.9128 1926.1446 110.3757 -206036.4742 17912.8950 0.0000 0.0000 34236.1057 -148985.3610 298.9924 -183221.4667 -148888.8110 300.1029 -91.3271 -63.8229 560183.8476 -12.6481 -12.5998 PRESSURE: 3386200 -68.6299 132.275 17.7337 132.276 -39.3368 224.71 17.7352 224.71 -47.1348 GPRESSURE: 3386200 -29.6433 179.749 -33.2788 258.134 -46.2012 157.434 0.0133554 271.222 14.2856 PRESSAVG: 3386200 16.0062 23.8123 -16.5471 23.8123 -82.1608 -13.5423 -16.5471 -13.5423 58.0281 GPRESSAVG: 3386200 16.1182 21.7566 -16.8905 24.3676 -82.5511 -11.8489 -17.6554 -14.243 58.2514 TIMING: 3386200 CPU: 10125.8, 0.00304196/step Wall: 10125.8, 0.00304196/step, 1.36364 hours remaining, 206.511719 MB of memory in use. ENERGY: 3386200 733.4458 2114.1596 1947.0722 120.8830 -205940.5694 17841.4563 0.0000 0.0000 34202.9389 -148980.6137 298.7028 -183183.5525 -148888.3900 299.8376 -51.7005 -20.5196 559306.6737 -2.7089 -2.7272 PRESSURE: 3386400 24.972 -117.828 184.314 -117.828 22.8521 17.4618 184.315 17.4609 174.163 GPRESSURE: 3386400 115.234 -182.184 214.596 -118.219 50.566 -23.4758 114.287 -36.3128 160.727 PRESSAVG: 3386400 11.8785 -5.52297 0.913849 -5.52293 1.80417 3.92467 0.91386 3.92463 -12.6297 GPRESSAVG: 3386400 13.2713 -6.01047 1.34118 -6.18364 0.597583 3.92373 2.60586 2.1164 -12.879 TIMING: 3386400 CPU: 10126.4, 0.00302213/step Wall: 10126.4, 0.00302213/step, 1.35459 hours remaining, 206.511719 MB of memory in use. ENERGY: 3386400 792.5712 2092.4858 1946.4389 117.9372 -206399.9204 18035.9490 0.0000 0.0000 34457.8549 -148956.6835 300.9290 -183414.5384 -148860.7657 299.8035 73.9956 108.8422 557526.7454 0.3510 0.3300 PRESSURE: 3386600 -37.5952 -56.813 -65.1534 -56.8133 217.136 -86.6407 -65.1553 -86.6394 14.8954 GPRESSURE: 3386600 -65.1476 -63.1617 -40.347 -58.1693 278.124 -78.0838 -34.0707 -88.9714 84.5869 PRESSAVG: 3386600 31.8952 -7.86427 -40.4326 -7.86425 22.8141 7.2773 -40.4326 7.2773 5.22442 GPRESSAVG: 3386600 30.2743 -6.48882 -40.2624 -6.20163 23.4586 7.07154 -42.0416 7.12651 5.95438 TIMING: 3386600 CPU: 10127, 0.00303875/step Wall: 10127, 0.00303875/step, 1.36187 hours remaining, 206.511719 MB of memory in use. ENERGY: 3386600 750.5878 2106.9237 1929.5556 114.2098 -205779.1938 17686.8721 0.0000 0.0000 34308.8487 -148882.1961 299.6277 -183191.0448 -148787.9094 300.0760 64.8120 99.1878 557920.6274 19.9779 19.8958 PRESSURE: 3386800 175.394 82.3616 -143.188 82.3611 -14.6452 -108.019 -143.189 -108.018 231.897 GPRESSURE: 3386800 230.928 48.2561 -170.247 130.424 37.7291 -96.8904 -62.3652 -117.124 228.937 PRESSAVG: 3386800 -56.4834 28.4856 -58.2971 28.4856 68.9728 21.422 -58.297 21.422 -50.7552 GPRESSAVG: 3386800 -56.0668 28.557 -60.5101 27.9328 69.8634 21.1004 -56.547 24.4676 -52.0648 TIMING: 3386800 CPU: 10127.6, 0.00302851/step Wall: 10127.6, 0.00302851/step, 1.35711 hours remaining, 206.511719 MB of memory in use. ENERGY: 3386800 704.4641 2101.6370 1935.5102 108.6638 -206167.1255 17852.1089 0.0000 0.0000 34398.6045 -149066.1369 300.4116 -183464.7414 -148967.6242 299.9610 130.8822 165.8646 557307.0572 -12.7553 -12.7561 PRESSURE: 3387000 -69.8848 216.71 11.8264 216.709 -247.257 125.878 11.8273 125.878 95.6467 GPRESSURE: 3387000 -38.998 139.785 -4.68242 220.972 -219.837 89.8597 38.2752 129.076 122.239 PRESSAVG: 3387000 49.508 40.4179 -38.2868 40.4179 12.2055 -11.1204 -38.2868 -11.1204 15.5118 GPRESSAVG: 3387000 49.1867 39.5246 -38.4919 40.1801 11.7361 -11.0526 -38.6166 -12.8383 16.1865 TIMING: 3387000 CPU: 10128.2, 0.00302992/step Wall: 10128.2, 0.00302992/step, 1.35757 hours remaining, 206.511719 MB of memory in use. ENERGY: 3387000 749.0284 2098.2841 1934.6718 119.9237 -205914.7887 17651.2322 0.0000 0.0000 34254.4808 -149107.1677 299.1529 -183361.6485 -149006.6647 298.9335 -73.8318 -45.5321 557186.4828 25.7418 25.7031 PRESSURE: 3387200 40.8269 15.7438 93.9041 15.7442 -132.418 -257.775 93.9043 -257.775 -236.421 GPRESSURE: 3387200 62.2805 83.2372 37.2866 37.6772 -74.7084 -218.142 114.644 -111.528 -234.078 PRESSAVG: 3387200 29.7138 8.7329 53.9646 8.73289 -44.0644 38.0716 53.9646 38.0715 -11.5968 GPRESSAVG: 3387200 29.0413 7.78609 54.1347 8.36173 -42.8972 37.1253 55.2731 40.5278 -11.6617 TIMING: 3387200 CPU: 10128.8, 0.00303196/step Wall: 10128.8, 0.00303196/step, 1.35832 hours remaining, 206.511719 MB of memory in use. ENERGY: 3387200 761.1615 2113.8895 1942.3289 120.3947 -205781.0042 17586.7709 0.0000 0.0000 34314.5045 -148941.9542 299.6771 -183256.4587 -148852.8248 299.3272 -109.3375 -82.1688 556469.8714 -8.6491 -8.5059 PRESSURE: 3387400 -105.888 -152.955 -27.317 -152.954 -50.7958 -106.467 -27.3171 -106.466 -95.2918 GPRESSURE: 3387400 -84.6937 -79.3932 -56.0526 -101.568 -7.62181 -113.367 -85.7961 -122.69 -61.4852 PRESSAVG: 3387400 73.595 -31.6421 -35.6554 -31.6421 -54.2154 -18.1497 -35.6554 -18.1497 -22.1295 GPRESSAVG: 3387400 74.2177 -33.4283 -35.1015 -30.9833 -55.1151 -15.7129 -37.9697 -21.0068 -22.4512 TIMING: 3387400 CPU: 10129.4, 0.00302184/step Wall: 10129.4, 0.00302184/step, 1.35362 hours remaining, 206.511719 MB of memory in use. ENERGY: 3387400 724.3024 2077.0652 1949.7345 116.6404 -205641.5359 17606.6100 0.0000 0.0000 34035.7992 -149131.3843 297.2431 -183167.1835 -149040.8372 299.2152 -83.9920 -51.2669 556484.8634 -0.9166 -1.1162 PRESSURE: 3387600 -153.514 -72.5407 -111.487 -72.5402 -260.871 7.03218 -111.488 7.03564 -458.255 GPRESSURE: 3387600 -96.9113 -62.7324 -50.6837 -198.98 -230.781 -19.1166 -141.059 81.9203 -456.718 PRESSAVG: 3387600 -1.36767 -22.3161 -38.0126 -22.3161 -10.1282 -6.43705 -38.0127 -6.43704 -51.1985 GPRESSAVG: 3387600 -2.56329 -19.7172 -37.6859 -23.4187 -10.1414 -7.79042 -37.3649 -4.7745 -50.5451 TIMING: 3387600 CPU: 10130, 0.00299755/step Wall: 10130, 0.00299755/step, 1.34257 hours remaining, 206.511719 MB of memory in use. ENERGY: 3387600 778.9444 2101.0063 1936.9967 113.4057 -205731.2102 17384.8460 0.0000 0.0000 34246.0048 -149170.0063 299.0789 -183416.0111 -149069.0547 298.4500 -290.8799 -261.4702 558675.9166 -20.8981 -21.0833 PRESSURE: 3387800 -78.1795 64.4302 35.078 64.4299 42.5717 -95.9965 35.0772 -95.9945 130.912 GPRESSURE: 3387800 -22.9764 106.523 18.1675 -47.4889 105.903 -143.702 63.6177 -17.5272 118.107 PRESSAVG: 3387800 15.5952 -18.4457 48.3455 -18.4457 48.9585 18.4041 48.3455 18.4042 -41.9357 GPRESSAVG: 3387800 16.3723 -19.2751 45.7252 -17.9888 49.3836 19.6952 48.7173 17.2803 -42.694 TIMING: 3387800 CPU: 10130.6, 0.00302129/step Wall: 10130.6, 0.00302129/step, 1.35304 hours remaining, 206.511719 MB of memory in use. ENERGY: 3387800 747.2723 2111.9942 1932.9188 118.0746 -206146.2953 17761.6834 0.0000 0.0000 34200.1895 -149274.1625 298.6788 -183474.3520 -149177.3519 299.4702 31.7681 67.0112 555844.9723 7.5394 7.6873 PRESSURE: 3388000 -70.2521 74.4837 245.53 74.4846 -233.789 -39.6265 245.531 -39.6271 35.8544 GPRESSURE: 3388000 -42.8732 52.6205 235.3 -14.4534 -211.169 -132.283 149.176 37.0288 96.5604 PRESSAVG: 3388000 -4.1084 -4.89835 66.1135 -4.89834 33.5804 19.2649 66.1136 19.2649 -1.02805 GPRESSAVG: 3388000 -3.78783 -4.97672 69.1655 -6.03578 33.5353 19.5119 64.8607 21.1701 -1.48615 TIMING: 3388000 CPU: 10131.2, 0.00303091/step Wall: 10131.2, 0.00303091/step, 1.35717 hours remaining, 206.511719 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: 3388000 737.3528 2081.2514 1924.0358 112.6075 -206029.2155 17532.5257 0.0000 0.0000 34314.3405 -149327.1017 299.6757 -183641.4423 -149235.3557 299.7297 -89.3955 -52.4941 555673.4877 9.4813 9.4204 PRESSURE: 3388200 31.5924 -12.305 -3.70298 -12.3039 48.7534 162.941 -3.70242 162.941 -388.404 GPRESSURE: 3388200 58.2222 -1.18821 63.0636 -9.22027 31.4434 137.04 -25.8399 181.46 -292.354 PRESSAVG: 3388200 -19.6343 -28.9716 36.4904 -28.9716 43.3675 -33.8056 36.4904 -33.8057 -15.4472 GPRESSAVG: 3388200 -20.5895 -28.32 35.7995 -27.5111 41.9829 -32.7597 37.3858 -34.434 -12.9196 TIMING: 3388200 CPU: 10131.8, 0.00303558/step Wall: 10131.8, 0.00303558/step, 1.3591 hours remaining, 206.511719 MB of memory in use. ENERGY: 3388200 738.0014 2083.8265 1943.5841 113.8732 -206228.1024 17812.4459 0.0000 0.0000 34128.0713 -149408.3001 298.0489 -183536.3714 -149312.6799 298.8023 -102.6861 -67.5627 557321.9858 2.7620 2.8246 LDB: ============= START OF LOAD BALANCING ============== 10135.3 LDB: ============== END OF LOAD BALANCING =============== 10135.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10135.3 LDB: ============= START OF LOAD BALANCING ============== 10135.6 LDB: Largest compute 4819 load 0.027263 is 23.1% of average load 0.118057 LDB: Average compute 0.001735 is 1.5% of average load 0.118057 LDB: TIME 10135.6 LOAD: AVG 0.118057 MAX 0.209801 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.918 MB LDB: TIME 10135.6 LOAD: AVG 0.118057 MAX 0.209801 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.977 MB LDB: TIME 10135.6 LOAD: AVG 0.118057 MAX 0.209801 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10135.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10135.6 PRESSURE: 3388400 42.41 144.505 30.4311 144.505 52.3947 110.255 30.4292 110.254 2.73109 GPRESSURE: 3388400 178.283 108.753 74.0038 138.718 -10.5861 76.0689 -88.1244 105.871 18.9038 PRESSAVG: 3388400 6.90421 39.9419 -6.49249 39.942 -15.0051 -4.47711 -6.49252 -4.4771 -21.0703 GPRESSAVG: 3388400 5.95782 41.5233 -6.84155 39.4102 -12.9811 -6.74321 -5.56681 -3.7854 -22.3823 TIMING: 3388400 CPU: 10132.5, 0.00308465/step Wall: 10132.5, 0.00308465/step, 1.38089 hours remaining, 206.453125 MB of memory in use. ENERGY: 3388400 716.2542 2069.5296 1954.6325 114.6091 -206334.9943 17983.0910 0.0000 0.0000 34046.7659 -149450.1120 297.3389 -183496.8779 -149358.5684 298.1389 32.5119 62.2004 557037.2532 -9.7237 -9.8019 PRESSURE: 3388600 -160.204 146.503 -32.7264 146.504 -131.171 10.7741 -32.7259 10.7747 -60.1707 GPRESSURE: 3388600 -146.465 145.442 -10.0421 113.642 -90.6583 73.5937 -97.0853 -22.9864 -7.94334 PRESSAVG: 3388600 -0.209916 43.2816 -4.29068 43.2815 -31.5389 -53.5 -4.29069 -53.5001 44.8858 GPRESSAVG: 3388600 1.79428 41.1592 -4.54914 42.628 -32.237 -52.9435 -5.01719 -52.5351 44.0529 TIMING: 3388600 CPU: 10133.1, 0.00305456/step Wall: 10133.1, 0.00305456/step, 1.36726 hours remaining, 206.453125 MB of memory in use. ENERGY: 3388600 763.0927 2121.9366 1929.7231 116.2087 -206016.7155 17676.3918 0.0000 0.0000 34138.5252 -149270.8375 298.1402 -183409.3627 -149176.6665 298.9058 -117.1819 -81.6890 558132.7835 4.3790 4.5367 PRESSURE: 3388800 86.2591 45.6046 -14.6967 45.6051 60.7052 15.7062 -14.6969 15.705 -41.356 GPRESSURE: 3388800 100.594 25.005 -34.4566 28.6902 112.221 12.1943 -55.989 -51.5527 -2.54472 PRESSAVG: 3388800 -14.772 31.3262 -30.0772 31.3263 -0.547436 -47.3265 -30.0772 -47.3266 22.0003 GPRESSAVG: 3388800 -14.2355 33.1262 -30.5923 31.5454 -1.25719 -45.7416 -28.6319 -49.7532 22.3452 TIMING: 3388800 CPU: 10133.7, 0.00303344/step Wall: 10133.7, 0.00303344/step, 1.35763 hours remaining, 206.453125 MB of memory in use. ENERGY: 3388800 724.6584 2096.6761 1938.0200 103.3048 -206100.4942 17811.6334 0.0000 0.0000 34221.9157 -149204.2858 298.8685 -183426.2015 -149107.1591 299.0065 35.2027 70.0904 556599.8091 2.2270 2.2842 PRESSURE: 3389000 34.2364 156.236 154.49 156.235 45.7644 27.3256 154.49 27.3271 -335.203 GPRESSURE: 3389000 102.297 175.687 132.848 165.079 74.0095 87.5656 169.526 -30.2947 -329.242 PRESSAVG: 3389000 46.7316 6.09808 -4.26984 6.0981 79.2761 4.60138 -4.2699 4.6015 -58.1082 GPRESSAVG: 3389000 46.5044 6.4182 -2.48541 5.62781 80.823 6.07936 -5.75545 5.1443 -59.166 TIMING: 3389000 CPU: 10134.3, 0.00303177/step Wall: 10134.3, 0.00303177/step, 1.35672 hours remaining, 206.453125 MB of memory in use. ENERGY: 3389000 742.0873 2083.2760 1896.4625 117.7997 -206185.4341 17800.5750 0.0000 0.0000 34352.2549 -149192.9787 300.0068 -183545.2336 -149091.5839 300.1576 -85.0675 -50.9784 558007.8630 22.6332 22.7205 PRESSURE: 3389200 -260.004 -23.5344 11.0344 -23.5337 -20.0343 48.7922 11.0325 48.7917 -254.313 GPRESSURE: 3389200 -222.169 -15.1938 17.9985 -20.6836 -32.8016 93.1709 62.8509 69.0442 -177.83 PRESSAVG: 3389200 -30.524 8.41733 54.745 8.41725 55.7969 35.2639 54.7451 35.2638 -47.9515 GPRESSAVG: 3389200 -31.9185 7.09257 52.3705 9.89641 54.5313 32.6092 57.1673 34.061 -45.6253 TIMING: 3389200 CPU: 10134.9, 0.00302593/step Wall: 10134.9, 0.00302593/step, 1.35394 hours remaining, 206.453125 MB of memory in use. ENERGY: 3389200 772.2290 2114.8729 1941.0507 121.7674 -205922.6745 17634.7565 0.0000 0.0000 34208.8335 -149129.1645 298.7543 -183337.9981 -149034.7641 299.4684 -178.1169 -144.2671 558137.4515 -7.5595 -7.6708 PRESSURE: 3389400 -175.414 -111.14 -96.4312 -111.141 207.79 -2.77593 -96.4313 -2.77741 -115.32 GPRESSURE: 3389400 -153.576 -169.019 -103.811 -149.812 244.983 -37.6487 -121.03 -34.7303 -90.4313 PRESSAVG: 3389400 -24.772 17.152 -17.8968 17.152 56.7056 -6.57185 -17.8968 -6.57191 -8.66877 GPRESSAVG: 3389400 -23.0314 16.2541 -16.7371 15.4797 56.2067 -7.01406 -21.1835 -5.28021 -9.66835 TIMING: 3389400 CPU: 10135.5, 0.00303081/step Wall: 10135.5, 0.00303081/step, 1.35595 hours remaining, 206.453125 MB of memory in use. ENERGY: 3389400 769.3201 2112.0825 1933.5182 118.0653 -206155.5621 17738.0675 0.0000 0.0000 34288.1318 -149196.3766 299.4468 -183484.5084 -149104.9003 298.9779 -27.6479 0.3252 557519.2093 7.7549 7.8356 PRESSURE: 3389600 -172.325 35.8121 -66.9439 35.8132 -156.945 -14.0033 -66.9435 -14.0038 142.067 GPRESSURE: 3389600 -71.1848 -60.5933 -67.0808 113.253 -121.859 -48.7656 -55.261 2.02221 102.07 PRESSAVG: 3389600 -47.9048 -20.1156 4.96266 -20.1156 59.6062 7.12939 4.96261 7.12932 -16.3638 GPRESSAVG: 3389600 -48.9425 -18.8793 7.44269 -18.0413 60.2947 5.57922 5.73961 7.96709 -16.6725 TIMING: 3389600 CPU: 10136.1, 0.00301485/step Wall: 10136.1, 0.00301485/step, 1.34864 hours remaining, 206.453125 MB of memory in use. ENERGY: 3389600 786.1800 2080.9692 1947.1584 110.2099 -205785.6251 17674.6427 0.0000 0.0000 34038.5302 -149147.9346 297.2670 -183186.4649 -149047.9041 298.1680 -62.4009 -30.3245 557774.8608 -1.5541 -1.7734 PRESSURE: 3389800 -150.722 -226.722 -12.4356 -226.723 84.7969 -205.078 -12.4369 -205.075 40.8826 GPRESSURE: 3389800 -130.968 -232.339 43.5832 -277.209 128.691 -172.359 -64.5404 -187.487 54.9396 PRESSAVG: 3389800 -65.2119 16.6394 -19.0075 16.6394 62.1103 -46.6433 -19.0074 -46.6432 4.60236 GPRESSAVG: 3389800 -64.6365 16.6602 -19.8618 14.2345 59.9947 -44.7316 -18.4106 -48.5999 5.65591 TIMING: 3389800 CPU: 10136.7, 0.00300226/step Wall: 10136.7, 0.00300226/step, 1.34284 hours remaining, 206.453125 MB of memory in use. ENERGY: 3389800 751.0512 2163.8288 1954.7959 111.8491 -206203.8226 17743.1521 0.0000 0.0000 34188.4865 -149290.6591 298.5766 -183479.1456 -149196.3494 298.8577 -8.3474 17.5542 556608.7497 0.5002 0.3380 PRESSURE: 3390000 -135.589 -227.887 226.346 -227.887 57.436 -42.7691 226.345 -42.7701 -206.753 GPRESSURE: 3390000 -110.478 -206.313 205.967 -152.043 130.361 20.0453 214.273 -29.4802 -202.865 PRESSAVG: 3390000 2.61106 -53.6049 -16.8055 -53.6049 42.8166 -8.96496 -16.8056 -8.96508 -39.543 GPRESSAVG: 3390000 2.31516 -54.2481 -16.1109 -50.9325 44.2006 -8.55435 -16.8674 -9.93508 -40.6009 TIMING: 3390000 CPU: 10137.3, 0.00301058/step Wall: 10137.3, 0.00301058/step, 1.3464 hours remaining, 206.453125 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: 3390000 770.9592 2046.3685 1935.4758 100.8931 -206197.6132 17800.9951 0.0000 0.0000 34135.2552 -149407.6664 298.1117 -183542.9216 -149317.1686 298.9978 -94.9688 -60.9940 557109.2751 1.9615 1.9716 PRESSURE: 3390200 184.189 -64.8167 32.7798 -64.8171 88.4306 51.4546 32.7799 51.4539 107.406 GPRESSURE: 3390200 216.565 -101.513 -19.3231 -112.918 164.428 -53.8118 76.5633 109.284 89.4832 PRESSAVG: 3390200 -23.0487 -7.43406 6.55889 -7.43398 73.158 -20.5573 6.55886 -20.5573 21.5069 GPRESSAVG: 3390200 -23.6284 -6.48351 5.59317 -8.06758 74.0505 -21.078 6.91706 -19.5863 20.6898 TIMING: 3390200 CPU: 10137.9, 0.0030368/step Wall: 10137.9, 0.0030368/step, 1.35796 hours remaining, 206.453125 MB of memory in use. ENERGY: 3390200 754.0947 2132.4002 1943.1522 121.5254 -206545.1876 17962.0008 0.0000 0.0000 34263.0577 -149368.9566 299.2278 -183632.0143 -149276.8601 298.5391 126.6755 156.8253 556114.8522 23.8721 23.7040 PRESSURE: 3390400 51.6399 -182.055 -12.6635 -182.055 193.724 -43.074 -12.6633 -43.0755 143.881 GPRESSURE: 3390400 75.5263 -134.647 39.7433 -189.763 265.325 -73.9147 -39.6545 -12.9343 153.881 PRESSAVG: 3390400 -7.11132 -8.73009 -3.41854 -8.72996 48.8701 43.7579 -3.41857 43.758 -32.148 GPRESSAVG: 3390400 -6.24177 -9.47553 -3.4533 -7.89758 47.6058 43.3564 -2.19963 42.5841 -31.5813 TIMING: 3390400 CPU: 10138.5, 0.00300382/step Wall: 10138.5, 0.00300382/step, 1.34304 hours remaining, 206.453125 MB of memory in use. ENERGY: 3390400 737.8964 2123.7468 1954.7571 113.1262 -206508.3039 18000.1071 0.0000 0.0000 34210.6762 -149367.9941 298.7703 -183578.6703 -149274.5952 298.2265 129.7484 164.9107 556905.0923 3.2036 3.2609 PRESSURE: 3390600 98.1498 127.372 -172.701 127.372 -159.718 22.9009 -172.702 22.9007 71.897 GPRESSURE: 3390600 127.859 121.172 -183.068 166.235 -95.3149 -67.4979 -182.158 33.496 64.6769 PRESSAVG: 3390600 -15.6543 43.3576 -36.4411 43.3576 44.7099 -5.75114 -36.4412 -5.75112 -6.21067 GPRESSAVG: 3390600 -15.402 44.1853 -36.8397 43.1336 45.5317 -2.56617 -37.7604 -6.52031 -6.86286 TIMING: 3390600 CPU: 10139.1, 0.00301683/step Wall: 10139.1, 0.00301683/step, 1.34869 hours remaining, 206.453125 MB of memory in use. ENERGY: 3390600 746.9936 2161.7806 1946.9228 101.8558 -206267.9744 17913.9671 0.0000 0.0000 34210.5086 -149185.9461 298.7689 -183396.4546 -149083.1162 298.9510 3.4428 32.4070 557703.7281 7.6149 7.7556 PRESSURE: 3390800 11.2835 36.7864 2.72207 36.7852 175.145 -44.9783 2.72256 -44.9763 -125.658 GPRESSURE: 3390800 95.3156 -45.6368 68.6319 111.434 182.859 -40.7128 -44.9205 -89.1089 -117.646 PRESSAVG: 3390800 -25.3223 59.2878 -5.52507 59.2879 42.5812 53.7643 -5.52508 53.7643 -9.77924 GPRESSAVG: 3390800 -25.9598 59.0325 -4.19516 59.5629 43.0296 51.0631 -7.11511 53.2972 -9.68796 TIMING: 3390800 CPU: 10139.7, 0.0030315/step Wall: 10139.7, 0.0030315/step, 1.35508 hours remaining, 206.453125 MB of memory in use. ENERGY: 3390800 709.4814 2095.2188 1971.0064 119.0972 -206054.4911 17830.0510 0.0000 0.0000 34272.5037 -149057.1325 299.3103 -183329.6362 -148967.7059 299.2614 20.2567 53.5096 557176.8047 2.4932 2.4606 PRESSURE: 3391000 -102.565 -2.29599 -99.5062 -2.29579 -121.596 -41.9429 -99.5071 -41.9432 188.569 GPRESSURE: 3391000 -114.359 -12.027 -7.96255 12.2918 -73.021 -28.0318 -150.55 4.78221 264.699 PRESSAVG: 3391000 9.68525 -49.8026 7.97603 -49.8026 -65.2854 -35.2653 7.976 -35.2653 50.8293 GPRESSAVG: 3391000 9.66678 -49.9464 6.53801 -50.686 -66.5095 -34.304 11.1688 -34.2769 51.802 TIMING: 3391000 CPU: 10140.3, 0.00302423/step Wall: 10140.3, 0.00302423/step, 1.35166 hours remaining, 206.453125 MB of memory in use. ENERGY: 3391000 720.0518 2077.8467 1940.6825 103.0931 -206192.2690 17790.6830 0.0000 0.0000 34476.2296 -149083.6822 301.0895 -183559.9118 -148993.1694 299.7863 -11.8642 25.7732 556691.8398 -1.5903 -1.6802 PRESSURE: 3391200 9.55527 -108.208 118.351 -108.21 -156.865 -5.37519 118.352 -5.37493 38.16 GPRESSURE: 3391200 2.09189 -6.52941 100.562 -122.007 -37.7998 56.1673 37.7751 -96.5433 25.3456 PRESSAVG: 3391200 -20.7479 31.8888 -36.9196 31.8888 -8.26885 -26.3176 -36.9196 -26.3176 41.8653 GPRESSAVG: 3391200 -20.9752 33.3325 -36.3717 31.95 -7.40742 -26.3557 -37.9877 -25.6908 41.9328 TIMING: 3391200 CPU: 10140.9, 0.0030091/step Wall: 10140.9, 0.0030091/step, 1.34473 hours remaining, 206.453125 MB of memory in use. ENERGY: 3391200 750.2297 2087.9973 1938.2051 108.4648 -206331.3734 17949.2025 0.0000 0.0000 34372.2034 -149125.0706 300.1810 -183497.2740 -149030.8252 299.8702 -36.3832 -3.4541 557150.8836 4.2828 4.5167 PRESSURE: 3391400 51.3817 -84.5251 -188.176 -84.5268 21.2463 -105.371 -188.176 -105.371 39.5822 GPRESSURE: 3391400 60.0085 -212.65 -241.048 -55.7807 84.9009 -125.671 -166.213 -61.0799 54.5558 PRESSAVG: 3391400 -11.0722 -6.99942 -25.9969 -6.99935 87.1708 -31.1932 -25.9969 -31.1933 -59.3947 GPRESSAVG: 3391400 -9.70089 -8.78485 -25.1994 -5.45069 86.755 -30.2917 -26.1739 -29.7637 -60.7973 TIMING: 3391400 CPU: 10141.5, 0.00300808/step Wall: 10141.5, 0.00300808/step, 1.34411 hours remaining, 206.453125 MB of memory in use. ENERGY: 3391400 739.8362 2074.9703 1940.4221 121.6235 -206126.5295 17829.9824 0.0000 0.0000 34481.2904 -148938.4048 301.1337 -183419.6951 -148838.9715 300.0309 37.4034 66.4884 556705.8242 5.5680 5.4190 PRESSURE: 3391600 -37.2131 81.59 -70.7558 81.5884 -218.37 -107.464 -70.756 -107.463 -143.672 GPRESSURE: 3391600 -36.1177 79.1566 -99.6431 26.3462 -149.775 -84.3658 -31.3266 -134.258 -131.58 PRESSAVG: 3391600 -74.3056 34.948 -29.9965 34.9481 -1.85749 -26.2495 -29.9965 -26.2493 55.4979 GPRESSAVG: 3391600 -75.7972 33.5281 -30.8218 34.8334 -0.782847 -26.3234 -28.3402 -27.3125 55.6288 TIMING: 3391600 CPU: 10142.1, 0.00299284/step Wall: 10142.1, 0.00299284/step, 1.33713 hours remaining, 206.453125 MB of memory in use. ENERGY: 3391600 758.6407 2090.2278 1946.5257 105.7016 -205810.2660 17665.7320 0.0000 0.0000 34275.7988 -148967.6394 299.3391 -183243.4383 -148866.3725 300.1715 -133.0848 -105.8244 557025.9184 -6.8884 -6.9837 PRESSURE: 3391800 -22.1801 89.5385 96.0558 89.5383 -2.02055 134.59 96.0577 134.59 -156.902 GPRESSURE: 3391800 -31.2101 87.9201 126.684 40.4661 71.8209 139.398 81.1202 127.706 -114.166 PRESSAVG: 3391800 -59.9741 28.1962 34.6384 28.1963 24.9538 19.6954 34.6383 19.6953 56.3155 GPRESSAVG: 3391800 -59.8368 27.6999 35.7337 28.6128 25.3567 19.787 32.9553 19.2802 56.211 TIMING: 3391800 CPU: 10142.7, 0.00301318/step Wall: 10142.7, 0.00301318/step, 1.34606 hours remaining, 206.453125 MB of memory in use. ENERGY: 3391800 739.7407 2153.0730 1973.5038 102.1971 -206087.3441 17682.7409 0.0000 0.0000 34414.8663 -149021.2224 300.5536 -183436.0887 -148927.7393 300.0440 -60.3676 -24.5183 556842.8174 7.0984 7.2436 PRESSURE: 3392000 -2.74803 71.4028 -67.9749 71.4024 304.109 -13.8882 -67.9755 -13.8896 95.1354 GPRESSURE: 3392000 76.4806 63.7765 -107.942 -14.3271 375.836 29.9897 -84.9567 -11.4737 38.3273 PRESSAVG: 3392000 -22.3541 26.996 23.8799 26.996 1.77393 8.98437 23.88 8.98445 18.0159 GPRESSAVG: 3392000 -22.6205 29.2112 23.7483 27.0027 0.834914 9.83111 23.8372 9.81677 19.1508 TIMING: 3392000 CPU: 10143.3, 0.00301288/step Wall: 10143.3, 0.00301288/step, 1.34575 hours remaining, 206.453125 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: 3392000 736.9274 2157.4045 1929.2051 121.4803 -206375.3191 17816.5446 0.0000 0.0000 34361.7298 -149252.0275 300.0895 -183613.7573 -149150.4785 299.8724 132.1655 163.5479 556215.1172 -0.8548 -0.8783 PRESSURE: 3392200 85.581 140.354 126.576 140.353 126.85 -219.844 126.575 -219.842 4.95563 GPRESSURE: 3392200 94.3274 156.359 186.156 131.488 162.757 -225.683 36.3778 -163.328 59.2638 PRESSAVG: 3392200 -35.7045 -2.79538 0.129182 -2.79538 19.6289 -27.7926 0.129279 -27.7925 27.6402 GPRESSAVG: 3392200 -36.5094 -3.17474 -1.42043 -4.238 18.7917 -29.8774 1.30536 -27.9128 28.9832 TIMING: 3392200 CPU: 10143.9, 0.00304985/step Wall: 10143.9, 0.00304985/step, 1.3621 hours remaining, 206.453125 MB of memory in use. ENERGY: 3392200 750.4279 2128.0820 1958.6018 116.5710 -206422.5580 17952.8797 0.0000 0.0000 34288.8900 -149227.1056 299.4534 -183515.9957 -149128.0298 299.3710 72.4622 105.4493 556781.4448 3.8549 3.7552 LDB: ============= START OF LOAD BALANCING ============== 10147.4 LDB: ============== END OF LOAD BALANCING =============== 10147.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10147.4 LDB: ============= START OF LOAD BALANCING ============== 10147.7 LDB: Largest compute 4819 load 0.027499 is 23.3% of average load 0.118137 LDB: Average compute 0.001732 is 1.5% of average load 0.118137 LDB: TIME 10147.7 LOAD: AVG 0.118137 MAX 0.212154 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 10147.7 LOAD: AVG 0.118137 MAX 0.212154 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: TIME 10147.7 LOAD: AVG 0.118137 MAX 0.212154 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: ============== END OF LOAD BALANCING =============== 10147.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10147.7 PRESSURE: 3392400 -272.047 -38.4214 176.931 -38.4211 -79.1852 51.2711 176.931 51.2684 -99.8114 GPRESSURE: 3392400 -245.868 -126.668 153.069 59.1241 -61.8967 134.338 173.746 -21.4914 -37.3303 PRESSAVG: 3392400 -17.5635 31.3392 22.4877 31.3392 37.6803 -37.6748 22.4877 -37.6748 -6.93847 GPRESSAVG: 3392400 -16.654 31.5843 24.7167 32.7822 38.2544 -37.8539 21.3183 -36.9151 -8.25608 TIMING: 3392400 CPU: 10144.6, 0.00307924/step Wall: 10144.6, 0.00307924/step, 1.37505 hours remaining, 206.453125 MB of memory in use. ENERGY: 3392400 749.1736 2100.6473 1917.6876 107.6147 -206097.8306 17514.1446 0.0000 0.0000 34373.9992 -149334.5635 300.1967 -183708.5627 -149238.5091 299.3219 -150.3477 -115.0316 557677.9043 4.3928 4.4481 PRESSURE: 3392600 -78.3829 131.343 -74.4706 131.343 207.579 52.1656 -74.4712 52.1645 -74.4614 GPRESSURE: 3392600 2.90563 137.291 -65.9795 73.3998 221.054 13.4218 -105.132 61.4926 -48.4651 PRESSAVG: 3392600 -13.0408 -17.0945 23.0906 -17.0944 61.854 34.8102 23.0906 34.8102 -23.4111 GPRESSAVG: 3392600 -13.7881 -16.2391 20.8036 -18.4019 62.1272 36.646 23.6321 32.7282 -23.0608 TIMING: 3392600 CPU: 10145.2, 0.00300805/step Wall: 10145.2, 0.00300805/step, 1.3431 hours remaining, 206.656250 MB of memory in use. ENERGY: 3392600 780.6476 2069.7975 1930.5594 113.0518 -206268.0056 17924.4091 0.0000 0.0000 34047.5123 -149402.0279 297.3454 -183449.5402 -149304.8250 298.9944 18.2449 58.4983 558210.2937 8.4674 8.4261 PRESSURE: 3392800 -282.069 -69.5372 177.934 -69.538 1.50119 -34.4409 177.933 -34.4418 -250.252 GPRESSURE: 3392800 -212.854 -57.318 186.73 -20.7019 39.2636 -120.157 214.51 -19.6742 -266.092 PRESSAVG: 3392800 18.0494 -0.108969 -46.1507 -0.108944 14.2263 26.8289 -46.1507 26.8289 -31.5111 GPRESSAVG: 3392800 20.3636 1.14415 -44.9145 -1.82731 12.7345 26.5027 -46.2258 27.7953 -32.7132 TIMING: 3392800 CPU: 10145.8, 0.00302542/step Wall: 10145.8, 0.00302542/step, 1.35068 hours remaining, 206.656250 MB of memory in use. ENERGY: 3392800 740.1414 2129.6447 1916.9194 95.7872 -205663.2920 17332.6625 0.0000 0.0000 33916.3832 -149531.7535 296.2002 -183448.1367 -149434.6268 297.7700 -176.9398 -146.5608 557097.5170 0.2549 0.1283 PRESSURE: 3393000 -114.429 -41.204 113.365 -41.2044 -210.364 135.687 113.365 135.687 -4.94807 GPRESSURE: 3393000 -79.3764 10.4512 67.7279 -166.576 -136.985 187.165 101.87 92.9711 -14.5262 PRESSAVG: 3393000 2.77525 29.7454 57.1346 29.7454 20.3071 65.4772 57.1345 65.4772 0.0357117 GPRESSAVG: 3393000 1.66788 28.3013 56.3605 31.106 19.9261 65.2435 59.2015 63.6784 1.08751 TIMING: 3393000 CPU: 10146.4, 0.00304672/step Wall: 10146.4, 0.00304672/step, 1.36002 hours remaining, 206.656250 MB of memory in use. ENERGY: 3393000 750.6106 2090.2569 1912.4260 104.3290 -206313.7906 17683.3067 0.0000 0.0000 34375.2087 -149397.6527 300.2072 -183772.8614 -149300.4731 298.7223 -109.9138 -76.9625 557338.1878 7.7060 7.5605 PRESSURE: 3393200 -59.8329 67.6894 -44.5105 67.6889 12.7897 69.3699 -44.5091 69.3711 -35.0132 GPRESSURE: 3393200 11.5083 -24.296 -31.7109 124.535 -9.29925 118.545 -82.3081 39.2573 11.7587 PRESSAVG: 3393200 24.0045 27.372 49.2741 27.372 -15.3235 -2.12161 49.2741 -2.12161 -25.9026 GPRESSAVG: 3393200 23.176 27.7226 50.2146 27.31 -14.2674 -2.46051 48.8004 -1.35107 -26.4944 TIMING: 3393200 CPU: 10147, 0.00304358/step Wall: 10147, 0.00304358/step, 1.35845 hours remaining, 206.656250 MB of memory in use. ENERGY: 3393200 743.4618 2056.8750 1927.8099 104.8134 -206199.5146 17886.9153 0.0000 0.0000 34099.5300 -149380.1092 297.7997 -183479.6392 -149284.0070 299.0569 -27.3521 4.6559 557551.3664 -5.7405 -5.8619 PRESSURE: 3393400 136.316 -134.176 -96.5393 -134.177 -117.133 78.1203 -96.5378 78.1216 170.663 GPRESSURE: 3393400 208.029 -163.551 18.9567 -68.9171 -102.488 141.551 -99.2314 90.8531 193.498 PRESSAVG: 3393400 24.0316 24.0412 20.1882 24.0412 -32.881 39.9252 20.1881 39.9253 49.3037 GPRESSAVG: 3393400 24.3147 23.0363 18.7616 24.0356 -33.743 40.6654 19.5172 39.3501 50.0553 TIMING: 3393400 CPU: 10147.6, 0.00299321/step Wall: 10147.6, 0.00299321/step, 1.3358 hours remaining, 206.656250 MB of memory in use. ENERGY: 3393400 746.3800 2050.7878 1975.4264 105.1582 -206570.9825 18028.3328 0.0000 0.0000 34221.6154 -149443.2820 298.8659 -183664.8973 -149342.4253 298.4174 63.2821 99.6799 556315.6734 13.4848 13.5423 PRESSURE: 3393600 -264.968 -96.4339 117.01 -96.4337 32.3358 -133.009 117.01 -133.01 -5.94766 GPRESSURE: 3393600 -230.85 -114.3 86.53 -103.372 56.0599 -165.219 89.7143 -115.016 43.3361 PRESSAVG: 3393600 -15.2971 -15.0043 12.2781 -15.0043 8.41272 50.3261 12.2781 50.3261 -16.8291 GPRESSAVG: 3393600 -15.3368 -12.1295 13.3744 -16.1004 9.45521 50.3335 13.7422 52.6044 -17.8352 TIMING: 3393600 CPU: 10148.2, 0.00302175/step Wall: 10148.2, 0.00302175/step, 1.34837 hours remaining, 206.656250 MB of memory in use. ENERGY: 3393600 716.6375 2118.1603 1937.3398 114.5483 -206220.7781 17711.8655 0.0000 0.0000 34209.0349 -149413.1917 298.7560 -183622.2267 -149314.1121 298.9163 -79.5265 -43.8179 556419.3281 -7.9045 -7.9056 PRESSURE: 3393800 -60.9024 47.5831 51.2045 47.5814 -77.5063 89.1933 51.2047 89.1917 -87.481 GPRESSURE: 3393800 -57.7667 79.6369 7.24547 66.8914 -19.5624 98.4803 32.9207 53.4447 -55.5329 PRESSAVG: 3393800 14.0517 16.2335 -13.9125 16.2335 24.9637 -3.08455 -13.9125 -3.08433 -0.38139 GPRESSAVG: 3393800 13.7148 14.1543 -15.008 16.6738 24.5236 -2.20833 -15.5758 -3.64246 0.529359 TIMING: 3393800 CPU: 10148.8, 0.00301316/step Wall: 10148.8, 0.00301316/step, 1.34437 hours remaining, 206.656250 MB of memory in use. ENERGY: 3393800 772.3618 2022.0427 1937.8139 120.6522 -206391.6109 17837.9038 0.0000 0.0000 34260.4671 -149440.3694 299.2052 -183700.8365 -149343.1403 298.8747 -75.2966 -44.2873 556757.9910 12.8780 12.9226 PRESSURE: 3394000 3.04838 -1.17342 -67.3074 -1.1731 -84.2728 -21.6923 -67.3075 -21.6931 -74.6189 GPRESSURE: 3394000 70.7425 -63.186 -52.8969 5.39369 -62.4862 0.932642 -25.1949 -96.4842 -60.8927 PRESSAVG: 3394000 61.3817 20.5682 -11.3401 20.5682 -20.3506 2.13901 -11.3403 2.13896 -73.2714 GPRESSAVG: 3394000 60.1193 21.1684 -8.99474 19.699 -19.7878 0.379668 -10.5104 4.31672 -72.2006 TIMING: 3394000 CPU: 10149.4, 0.00301252/step Wall: 10149.4, 0.00301252/step, 1.34392 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: 3394000 751.0866 2128.0629 1928.8680 106.6489 -206370.8283 17798.1128 0.0000 0.0000 34290.0166 -149368.0326 299.4632 -183658.0492 -149268.1229 299.1310 -51.9478 -17.5455 555635.2281 -10.7468 -10.6230 PRESSURE: 3394200 -64.8151 -102.164 51.8022 -102.161 -85.5819 -10.6158 51.8013 -10.6164 -212.303 GPRESSURE: 3394200 -35.2569 -15.2206 57.8996 -67.897 -83.0499 -72.9422 89.5606 16.7872 -142.948 PRESSAVG: 3394200 26.9161 -15.3699 8.93997 -15.3699 22.6316 -21.7153 8.93994 -21.7153 -64.9242 GPRESSAVG: 3394200 28.1829 -15.3663 7.77009 -14.919 22.1502 -19.901 8.41282 -24.3278 -65.8921 TIMING: 3394200 CPU: 10150, 0.00299686/step Wall: 10150, 0.00299686/step, 1.33677 hours remaining, 206.656250 MB of memory in use. ENERGY: 3394200 791.1911 2088.0033 1937.3728 125.2183 -206086.0040 17587.0562 0.0000 0.0000 34041.8508 -149515.3116 297.2959 -183557.1624 -149424.9925 299.2334 -120.9001 -87.0849 555024.1526 -5.1255 -5.1863 PRESSURE: 3394400 -243.77 172.454 14.1558 172.453 -239.228 -114.805 14.1559 -114.804 -183.612 GPRESSURE: 3394400 -153.632 174.719 -1.22939 225.532 -224.942 -73.0256 -50.0214 -79.5665 -191.738 PRESSAVG: 3394400 9.72803 17.452 46.6035 17.4521 -22.4531 -53.4762 46.6035 -53.4763 36.7035 GPRESSAVG: 3394400 10.3807 18.3406 46.543 17.6062 -22.1582 -55.2465 46.1427 -52.36 36.1009 TIMING: 3394400 CPU: 10150.6, 0.00300807/step Wall: 10150.6, 0.00300807/step, 1.3416 hours remaining, 206.656250 MB of memory in use. ENERGY: 3394400 720.8214 2073.3643 1943.2454 97.7159 -206401.4190 17719.3895 0.0000 0.0000 34202.1426 -149644.7398 298.6958 -183846.8824 -149548.7403 298.0503 -222.2034 -190.1040 555870.2246 7.9928 8.1078 PRESSURE: 3394600 -51.8087 25.9746 176.581 25.9734 43.8161 -7.42678 176.58 -7.42847 -105.928 GPRESSURE: 3394600 -23.5298 -30.1092 100.658 100.006 74.1473 27.4111 100.952 -0.475493 -58.4292 PRESSAVG: 3394600 6.85536 99.5424 65.211 99.5422 -21.2139 -71.8224 65.211 -71.8225 -67.6101 GPRESSAVG: 3394600 6.90364 97.2802 65.532 99.5394 -22.0652 -71.0325 65.1325 -72.3846 -67.1831 TIMING: 3394600 CPU: 10151.2, 0.00298114/step Wall: 10151.2, 0.00298114/step, 1.32942 hours remaining, 206.656250 MB of memory in use. ENERGY: 3394600 757.7180 2065.2869 1928.0684 104.5726 -206580.0957 17918.2100 0.0000 0.0000 34205.0791 -149601.1607 298.7215 -183806.2398 -149505.3023 298.8004 -37.9735 -2.6039 555518.0767 -27.3229 -27.4482 PRESSURE: 3394800 -489.225 -112.609 -29.16 -112.61 -149.367 229.847 -29.1597 229.847 83.3613 GPRESSURE: 3394800 -375.597 -204.304 -1.9005 -83.4013 -131.976 200.04 -107.425 283.568 53.6346 PRESSAVG: 3394800 10.3462 23.4814 25.2889 23.4813 -31.1049 32.298 25.2889 32.298 47.245 GPRESSAVG: 3394800 9.14271 24.1439 26.6478 23.6748 -31.0366 32.5677 23.1284 33.5703 48.0825 TIMING: 3394800 CPU: 10151.8, 0.00301263/step Wall: 10151.8, 0.00301263/step, 1.3433 hours remaining, 206.656250 MB of memory in use. ENERGY: 3394800 746.3276 2091.4055 1915.6130 106.2461 -206166.7442 17535.7826 0.0000 0.0000 34383.1249 -149388.2445 300.2764 -183771.3694 -149291.8098 298.9974 -185.0769 -151.3126 556001.6071 8.8288 8.7295 PRESSURE: 3395000 52.0119 70.1705 2.07744 70.1683 120.514 24.8008 2.07742 24.8004 -133.805 GPRESSURE: 3395000 32.4307 -84.0048 51.1094 108.224 121.858 -9.71602 -48.1649 -39.7302 -25.1214 PRESSAVG: 3395000 -36.5005 15.4775 36.9573 15.4776 10.0687 -42.932 36.9573 -42.932 -35.0098 GPRESSAVG: 3395000 -36.8127 16.6868 35.6193 13.6749 10.6562 -43.7839 37.714 -44.1613 -34.9779 TIMING: 3395000 CPU: 10152.4, 0.00301016/step Wall: 10152.4, 0.00301016/step, 1.34203 hours remaining, 206.656250 MB of memory in use. ENERGY: 3395000 761.9533 2079.2724 1925.4413 118.8265 -206142.2683 17710.0879 0.0000 0.0000 34282.6726 -149264.0144 299.3991 -183546.6870 -149168.0611 298.7854 12.9072 43.0559 555000.7483 -20.4805 -20.3781 PRESSURE: 3395200 -131.987 61.4234 -1.07251 61.4242 -19.1129 24.556 -1.07231 24.5561 -462.216 GPRESSURE: 3395200 -88.5945 98.1332 -20.8624 92.8767 -1.09468 -20.1719 -71.6927 -54.5132 -419.845 PRESSAVG: 3395200 -10.9156 25.955 5.25802 25.9552 70.6353 9.21852 5.25799 9.21859 -34.4792 GPRESSAVG: 3395200 -9.76864 24.7511 5.8158 28.2009 69.5092 9.67908 4.0039 9.54816 -34.2458 TIMING: 3395200 CPU: 10153, 0.00301946/step Wall: 10153, 0.00301946/step, 1.34601 hours remaining, 206.656250 MB of memory in use. ENERGY: 3395200 710.1368 2152.3814 1924.3424 119.3805 -206234.7537 17593.7055 0.0000 0.0000 34502.5250 -149232.2821 301.3191 -183734.8071 -149136.1475 298.6929 -204.4388 -169.8448 558224.2961 8.4135 8.4982 PRESSURE: 3395400 229.959 -186.908 151.23 -186.91 -49.0232 13.6843 151.23 13.6853 164.286 GPRESSURE: 3395400 274.771 -110.202 222.218 -215.608 -3.3515 2.36552 124.795 -34.5039 177.973 PRESSAVG: 3395400 13.2086 -37.485 -3.832 -37.4849 31.0155 16.7511 -3.83189 16.7512 -45.0484 GPRESSAVG: 3395400 13.3491 -37.1544 -2.28329 -37.5349 31.6007 16.361 -2.91073 17.6747 -45.0983 TIMING: 3395400 CPU: 10153.6, 0.00301749/step Wall: 10153.6, 0.00301749/step, 1.34496 hours remaining, 206.656250 MB of memory in use. ENERGY: 3395400 736.2254 2036.5436 1959.9157 114.3461 -206213.9217 17895.9431 0.0000 0.0000 34165.1394 -149305.8084 298.3727 -183470.9478 -149208.5987 299.3294 115.0737 149.7976 556615.6056 -0.2748 -0.0495 PRESSURE: 3395600 234.926 -55.0135 -40.7056 -55.0125 208.296 225.229 -40.7058 225.229 179.73 GPRESSURE: 3395600 230.043 -35.7633 -59.6112 -167.203 220.069 81.3746 -26.6987 241.865 270.018 PRESSAVG: 3395600 60.9984 -7.37019 -39.8296 -7.37016 -22.8408 14.9333 -39.8295 14.9334 -10.0217 GPRESSAVG: 3395600 61.1928 -6.01341 -41.7691 -9.69325 -21.7264 14.2013 -39.5626 15.3708 -10.5821 TIMING: 3395600 CPU: 10154.2, 0.00301019/step Wall: 10154.2, 0.00301019/step, 1.34154 hours remaining, 206.656250 MB of memory in use. ENERGY: 3395600 744.3276 2070.7676 1968.6941 107.4048 -206483.8037 18110.4635 0.0000 0.0000 34300.6620 -149181.4841 299.5562 -183482.1461 -149090.6588 299.2950 207.6506 240.0436 557425.9622 9.3786 9.6281 PRESSURE: 3395800 -139.081 -61.1097 -6.05421 -61.111 39.712 14.8632 -6.05536 14.8616 120.592 GPRESSURE: 3395800 -138.121 -31.8681 -82.1182 -79.0972 125.636 -23.1754 -31.6069 79.4714 132.851 PRESSAVG: 3395800 21.2451 -54.7085 -30.8667 -54.7084 -5.93994 -9.4405 -30.8668 -9.44057 -45.794 GPRESSAVG: 3395800 21.3915 -55.7054 -32.0318 -51.4766 -6.03253 -6.86671 -31.1698 -11.9149 -45.5442 TIMING: 3395800 CPU: 10154.8, 0.00302397/step Wall: 10154.8, 0.00302397/step, 1.34752 hours remaining, 206.656250 MB of memory in use. ENERGY: 3395800 708.1377 2072.8003 1951.2630 124.6632 -206127.1364 17933.0443 0.0000 0.0000 34160.8779 -149176.3499 298.3354 -183337.2279 -149084.9031 298.8099 7.0744 40.1217 558623.0122 -10.1629 -10.0618 PRESSURE: 3396000 -81.412 2.07872 26.2319 2.07844 -164.443 99.3903 26.2307 99.3886 144.555 GPRESSURE: 3396000 -51.7599 67.3892 117.485 -13.3298 -37.6399 97.1225 1.43218 106.554 89.2917 PRESSAVG: 3396000 19.2491 2.44474 1.75199 2.44486 -12.6989 -12.5252 1.75201 -12.5253 -12.874 GPRESSAVG: 3396000 20.084 3.12747 2.63665 1.33966 -13.1329 -12.7249 2.32923 -11.8544 -14.0081 TIMING: 3396000 CPU: 10155.4, 0.00301723/step Wall: 10155.4, 0.00301723/step, 1.34434 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: 3396000 733.8488 2087.1682 1951.6472 115.5124 -205891.5590 17797.5419 0.0000 0.0000 34227.7714 -148978.0689 298.9196 -183205.8404 -148883.2919 299.5830 -33.7667 -0.0360 558836.9309 -2.1079 -2.3523 PRESSURE: 3396200 144.152 -60.9277 66.1405 -60.9272 61.8419 -24.8369 66.1409 -24.838 -51.8401 GPRESSURE: 3396200 125.9 4.39843 59.3013 -21.898 138.703 -39.455 34.8033 -64.3653 -17.966 PRESSAVG: 3396200 25.259 -41.6191 52.0741 -41.619 -22.9274 34.3207 52.0741 34.3207 14.8275 GPRESSAVG: 3396200 23.3325 -40.5609 51.5211 -42.3895 -23.1538 34.0808 53.0708 34.067 16.628 TIMING: 3396200 CPU: 10156, 0.00302232/step Wall: 10156, 0.00302232/step, 1.34644 hours remaining, 206.656250 MB of memory in use. ENERGY: 3396200 744.2390 2101.0071 1922.5880 100.4782 -205981.0105 17822.5905 0.0000 0.0000 34392.7167 -148897.3909 300.3601 -183290.1076 -148799.3132 299.7275 51.3847 82.2125 558614.7822 5.7197 5.6022 LDB: ============= START OF LOAD BALANCING ============== 10159.4 LDB: ============== END OF LOAD BALANCING =============== 10159.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10159.4 LDB: ============= START OF LOAD BALANCING ============== 10159.7 LDB: Largest compute 4819 load 0.028128 is 23.8% of average load 0.118236 LDB: Average compute 0.001732 is 1.5% of average load 0.118236 LDB: TIME 10159.8 LOAD: AVG 0.118236 MAX 0.211934 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.715 MB LDB: TIME 10159.8 LOAD: AVG 0.118236 MAX 0.211934 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.719 MB LDB: TIME 10159.8 LOAD: AVG 0.118236 MAX 0.211934 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.719 MB LDB: ============== END OF LOAD BALANCING =============== 10159.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10159.8 PRESSURE: 3396400 -35.7277 -6.40127 -145.534 -6.40054 -228.923 -73.0417 -145.534 -73.0432 102.473 GPRESSURE: 3396400 -13.4786 -46.4149 -119.255 -5.73312 -200.796 -76.103 -174.417 -93.4383 141.765 PRESSAVG: 3396400 0.476487 -13.3334 -5.57624 -13.3335 21.2606 1.62573 -5.57618 1.62571 -0.443218 GPRESSAVG: 3396400 1.29952 -16.1066 -6.25665 -8.91346 20.7884 0.172962 -3.29757 3.19798 -0.966145 TIMING: 3396400 CPU: 10156.6, 0.00308811/step Wall: 10156.6, 0.00308811/step, 1.37558 hours remaining, 206.000000 MB of memory in use. ENERGY: 3396400 755.9197 2121.6135 1947.9171 122.4452 -205564.9505 17599.8174 0.0000 0.0000 34246.7304 -148770.5071 299.0852 -183017.2375 -148668.4269 300.5810 -54.0592 -24.1701 560981.5619 7.0979 7.0406 PRESSURE: 3396600 -46.7003 112.056 -13.7156 112.056 -3.06203 -31.8655 -13.7145 -31.8638 -77.8265 GPRESSURE: 3396600 -22.3926 161.135 37.7358 131.237 64.1412 -17.0976 -32.6186 3.02393 -82.2557 PRESSAVG: 3396600 7.53941 -1.32463 -29.2189 -1.32464 -17.5032 -35.163 -29.2189 -35.163 -19.6597 GPRESSAVG: 3396600 7.03201 0.656343 -28.4839 -5.67609 -17.6403 -36.4551 -33.5605 -33.8047 -19.3864 TIMING: 3396600 CPU: 10157.2, 0.00301042/step Wall: 10157.2, 0.00301042/step, 1.34081 hours remaining, 206.000000 MB of memory in use. ENERGY: 3396600 770.3125 2103.6931 1948.8531 115.4353 -206031.5116 17741.8571 0.0000 0.0000 34474.2201 -148877.1404 301.0719 -183351.3605 -148782.2275 300.2883 -42.5296 -13.5024 559268.2384 -9.8745 -9.9982 PRESSURE: 3396800 172.034 44.0773 72.5182 44.0759 149.447 -145.282 72.5171 -145.282 2.17879 GPRESSURE: 3396800 182.808 49.5438 -51.7581 58.3494 230.347 -140.144 124.15 -29.7256 17.9884 PRESSAVG: 3396800 -12.3703 2.68757 2.65291 2.68757 6.12597 -1.13184 2.65283 -1.13169 -18.7235 GPRESSAVG: 3396800 -11.7068 1.60448 1.55756 3.9531 6.66014 -0.0695512 4.92016 -3.62808 -20.3236 TIMING: 3396800 CPU: 10157.8, 0.00300075/step Wall: 10157.8, 0.00300075/step, 1.33634 hours remaining, 206.000000 MB of memory in use. ENERGY: 3396800 743.4266 2073.3720 1954.1347 107.3347 -206356.9686 18164.1304 0.0000 0.0000 34333.9894 -148980.5808 299.8473 -183314.5702 -148891.4165 300.3855 107.8868 143.7147 559487.5397 -8.3226 -8.4568 PRESSURE: 3397000 -77.5515 93.7696 -70.5994 93.7687 -68.1793 -117.982 -70.5989 -117.985 -13.6398 GPRESSURE: 3397000 -110.811 116.88 -112.944 118.949 -37.2108 -51.1363 -48.2808 -161.466 84.7216 PRESSAVG: 3397000 32.8198 -20.6522 -35.0348 -20.6521 10.4513 -65.3279 -35.0348 -65.3279 -14.6993 GPRESSAVG: 3397000 31.2934 -20.5359 -33.902 -19.5154 10.9774 -62.4546 -34.2895 -65.4207 -13.929 TIMING: 3397000 CPU: 10158.4, 0.00298588/step Wall: 10158.4, 0.00298588/step, 1.32955 hours remaining, 206.000000 MB of memory in use. ENERGY: 3397000 762.7339 2068.7250 1971.7588 127.9464 -206296.9821 17777.1301 0.0000 0.0000 34511.0222 -149077.6656 301.3933 -183588.6878 -148979.6131 299.9149 -53.1235 -21.0999 558734.1003 9.5239 9.4473 PRESSURE: 3397200 -103.58 -105.464 117.487 -105.463 -190.849 -8.17399 117.488 -8.17483 -136.478 GPRESSURE: 3397200 -112.151 -77.1679 118.686 -121.13 -155.167 29.8954 166.725 -92.9928 -59.5652 PRESSAVG: 3397200 -101.271 41.9511 -2.08782 41.9511 16.2812 -57.1662 -2.08781 -57.1662 78.2894 GPRESSAVG: 3397200 -99.5329 42.6242 -1.21026 40.9383 15.5086 -58.4606 -4.04933 -53.4393 77.6682 TIMING: 3397200 CPU: 10159, 0.00301346/step Wall: 10159, 0.00301346/step, 1.34166 hours remaining, 206.000000 MB of memory in use. ENERGY: 3397200 770.1089 2129.6183 1947.1072 111.7649 -205901.1079 17597.1120 0.0000 0.0000 34364.4415 -148980.9551 300.1132 -183345.3966 -148886.7393 300.0507 -143.6356 -108.9613 557714.3387 -2.2335 -2.1187 PRESSURE: 3397400 -395.257 63.8667 -35.8966 63.8672 -107.047 -166.754 -35.897 -166.753 108.616 GPRESSURE: 3397400 -316.125 35.4104 -28.2135 -40.3959 -92.4756 -143.898 -3.57357 -179.388 110.481 PRESSAVG: 3397400 -12.2122 -11.0526 -1.29314 -11.0527 -4.71706 8.92766 -1.29324 8.92773 -15.3422 GPRESSAVG: 3397400 -13.4289 -10.5939 -2.21432 -13.0558 -3.73992 8.41173 -2.64013 5.29748 -14.7856 TIMING: 3397400 CPU: 10159.6, 0.00300235/step Wall: 10159.6, 0.00300235/step, 1.33655 hours remaining, 206.000000 MB of memory in use. ENERGY: 3397400 762.3308 2047.1689 1964.3289 106.1915 -205573.1090 17509.6553 0.0000 0.0000 34160.4329 -149023.0007 298.3316 -183183.4336 -148936.8604 299.5766 -131.2293 -99.3732 558053.5449 -10.7571 -10.6515 PRESSURE: 3397600 -162.451 114.811 -196.379 114.811 95.9139 -42.749 -196.378 -42.7491 79.3891 GPRESSURE: 3397600 -112.406 130.072 -118.152 108.393 123.01 -108.15 -193.582 -35.7952 95.7927 PRESSAVG: 3397600 -56.322 3.10759 22.8241 3.1077 8.78498 -43.9343 22.824 -43.9343 50.8264 GPRESSAVG: 3397600 -55.3936 1.9427 23.7674 6.02999 7.79576 -43.2636 23.7494 -42.9702 50.0901 TIMING: 3397600 CPU: 10160.2, 0.00297833/step Wall: 10160.2, 0.00297833/step, 1.32569 hours remaining, 206.000000 MB of memory in use. ENERGY: 3397600 717.3577 2073.4079 1938.0969 107.9535 -205708.3381 17635.9953 0.0000 0.0000 34285.4904 -148950.0366 299.4237 -183235.5269 -148846.4142 299.4644 4.2839 35.4653 557004.5009 1.0964 0.8307 PRESSURE: 3397800 150.413 166.773 9.70184 166.774 111.723 158.488 9.70018 158.487 52.7727 GPRESSURE: 3397800 180.352 168.997 2.14652 231.914 129.535 135.578 26.178 225.695 90.0993 PRESSAVG: 3397800 -80.944 -23.9299 -2.17241 -23.9299 3.51361 23.8417 -2.17244 23.8416 99.5066 GPRESSAVG: 3397800 -81.449 -22.8068 -4.16844 -24.3306 4.65108 21.6809 -0.885276 25.6302 99.2136 TIMING: 3397800 CPU: 10160.8, 0.00300638/step Wall: 10160.8, 0.00300638/step, 1.33801 hours remaining, 206.000000 MB of memory in use. ENERGY: 3397800 761.9592 2072.6247 1938.5346 113.6398 -205603.9748 17820.7344 0.0000 0.0000 34142.2204 -148754.2617 298.1725 -182896.4821 -148658.4330 300.4218 104.9696 133.3285 557226.2220 7.3587 7.4719 PRESSURE: 3398000 56.0526 -55.9996 166.031 -55.9982 -185.065 0.238432 166.031 0.236551 194.685 GPRESSURE: 3398000 57.797 -49.5652 120.964 51.4546 -90.8625 -11.646 215.515 11.3422 201.735 PRESSAVG: 3398000 34.737 -40.286 4.01882 -40.2861 -16.9114 -11.1251 4.01886 -11.1251 3.02876 GPRESSAVG: 3398000 33.5588 -41.4447 4.26978 -40.1563 -15.979 -8.45441 2.28231 -13.5559 3.45811 TIMING: 3398000 CPU: 10161.4, 0.00304396/step Wall: 10161.4, 0.00304396/step, 1.35456 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: 3398000 742.7880 2112.5550 1959.8455 107.0199 -206023.3578 17663.1234 0.0000 0.0000 34626.9825 -148811.0435 302.4061 -183438.0261 -148721.5206 300.5577 21.8909 56.2231 556990.8860 6.9515 7.0126 PRESSURE: 3398200 13.1268 -39.648 -38.0975 -39.6486 -150.984 63.99 -38.0974 63.9903 -300.868 GPRESSURE: 3398200 11.5384 17.0399 -24.8385 -51.4384 -133.437 52.852 -9.47891 49.1574 -216.677 PRESSAVG: 3398200 39.6037 26.6326 -6.77176 26.6327 -23.5858 19.6151 -6.77167 19.6151 -18.5525 GPRESSAVG: 3398200 39.7485 27.1975 -4.92194 27.2981 -24.5275 18.2284 -5.00401 19.7511 -18.0968 TIMING: 3398200 CPU: 10162, 0.00303426/step Wall: 10162, 0.00303426/step, 1.35008 hours remaining, 206.000000 MB of memory in use. ENERGY: 3398200 769.5457 2034.9637 1963.8841 119.6412 -205716.6800 17482.1743 0.0000 0.0000 34480.6936 -148865.7775 301.1285 -183346.4711 -148763.1453 300.5683 -146.2416 -112.8586 556835.3456 -0.8448 -0.9586 PRESSURE: 3398400 -173.404 -132.116 11.0949 -132.116 -75.7961 -157.848 11.0949 -157.848 -111.562 GPRESSURE: 3398400 -146.896 -70.8145 26.664 -202.269 -60.6744 -157.311 33.3129 -115.662 -56.0073 PRESSAVG: 3398400 93.0716 51.5526 -13.905 51.5526 -53.8049 -33.0118 -13.905 -33.0118 -36.6196 GPRESSAVG: 3398400 94.3339 49.8501 -16.917 51.2498 -54.7631 -32.3804 -13.519 -32.6672 -36.6433 TIMING: 3398400 CPU: 10162.6, 0.00302086/step Wall: 10162.6, 0.00302086/step, 1.34395 hours remaining, 206.000000 MB of memory in use. ENERGY: 3398400 748.9621 2113.4182 1933.2719 107.8153 -206116.4436 17737.3873 0.0000 0.0000 34468.3847 -149007.2042 301.0210 -183475.5889 -148923.1516 300.3825 -120.2538 -87.8593 559023.8045 0.8824 0.9758 PRESSURE: 3398600 -78.7384 41.9416 37.7048 41.9419 -106.17 -58.269 37.7043 -58.2688 -303.116 GPRESSURE: 3398600 32.0143 -12.662 -41.0541 87.9935 -156.037 -27.7572 22.978 -108.34 -255.986 PRESSAVG: 3398600 48.3578 -24.4934 23.2544 -24.4934 -8.47265 -52.0997 23.2545 -52.0996 -28.1584 GPRESSAVG: 3398600 48.3738 -22.7214 25.2065 -27.9364 -7.64326 -52.3121 22.6407 -52.3348 -29.1549 TIMING: 3398600 CPU: 10163.3, 0.00302409/step Wall: 10163.3, 0.00302409/step, 1.34522 hours remaining, 206.000000 MB of memory in use. ENERGY: 3398600 742.3550 2070.6025 1959.9625 110.0418 -205896.1433 17596.6601 0.0000 0.0000 34373.9805 -149042.5409 300.1965 -183416.5214 -148951.4141 299.9699 -162.6747 -126.6695 559643.1974 3.9089 3.8586 PRESSURE: 3398800 -292.041 -6.6596 0.810094 -6.66016 -356.089 175.582 0.810861 175.581 -90.2572 GPRESSURE: 3398800 -294.369 60.2137 -1.64238 -35.8345 -280.922 133.571 0.459436 110.957 -77.891 PRESSAVG: 3398800 -0.53248 0.462829 2.74763 0.462782 -75.2657 17.1169 2.74765 17.1169 -12.3159 GPRESSAVG: 3398800 -2.3999 -0.701231 1.38512 3.7409 -75.1404 15.0735 4.30616 20.2188 -11.3651 TIMING: 3398800 CPU: 10163.9, 0.00303064/step Wall: 10163.9, 0.00303064/step, 1.34796 hours remaining, 206.000000 MB of memory in use. ENERGY: 3398800 717.2090 2068.4086 1964.8306 106.6108 -205522.2427 17401.9590 0.0000 0.0000 34196.8488 -149066.3758 298.6496 -183263.2246 -148970.3115 299.6717 -246.1290 -217.7274 559872.4687 -29.3714 -29.6351 PRESSURE: 3399000 -101.48 90.2195 12.1038 90.2179 -422.539 119.396 12.1042 119.396 184.949 GPRESSURE: 3399000 -90.1082 145.081 74.8349 83.3936 -361.619 49.2177 -22.3118 79.9945 224.398 PRESSAVG: 3399000 49.4732 -16.3999 -35.5302 -16.3999 17.4287 -7.15652 -35.5301 -7.15661 -47.5143 GPRESSAVG: 3399000 50.2544 -14.7821 -35.6389 -18.9039 17.9078 -5.42746 -35.4029 -10.0766 -48.2466 TIMING: 3399000 CPU: 10164.5, 0.00300633/step Wall: 10164.5, 0.00300633/step, 1.33698 hours remaining, 206.000000 MB of memory in use. ENERGY: 3399000 736.0087 2048.9229 1967.9936 110.7467 -205781.9660 17599.3646 0.0000 0.0000 34129.5211 -149189.4085 298.0616 -183318.9296 -149092.3679 298.8328 -113.0235 -75.7767 557923.1992 6.4625 6.6385 PRESSURE: 3399200 -70.7469 68.0474 -137.111 68.0464 -215.399 82.6965 -137.111 82.6963 356.897 GPRESSURE: 3399200 7.17826 44.7192 -183.121 57.6982 -237.31 98.8295 -56.777 103.937 395.29 PRESSAVG: 3399200 -30.6054 -3.2288 -18.0703 -3.22872 43.2511 41.8148 -18.0703 41.8148 -10.7424 GPRESSAVG: 3399200 -29.7691 -2.83182 -16.892 -1.05936 42.3359 41.201 -18.9135 43.7294 -10.3492 TIMING: 3399200 CPU: 10165.1, 0.003022/step Wall: 10165.1, 0.003022/step, 1.34378 hours remaining, 206.000000 MB of memory in use. ENERGY: 3399200 778.8500 2069.6527 1953.3492 110.2130 -206085.5867 17784.3892 0.0000 0.0000 34179.5533 -149209.5794 298.4985 -183389.1327 -149117.4768 298.4724 23.5836 55.0526 556386.1533 0.6344 0.7392 PRESSURE: 3399400 -269.826 175.95 -84.3608 175.949 -46.8901 95.8106 -84.3623 95.8102 5.84863 GPRESSURE: 3399400 -244.276 158.236 -130.588 146.19 -24.2066 134.111 -122.779 174.572 53.0537 PRESSAVG: 3399400 -49.3852 21.0075 -15.5763 21.0075 -15.7898 31.9331 -15.5763 31.933 29.7505 GPRESSAVG: 3399400 -49.7964 19.3282 -16.654 21.2568 -15.9046 33.1839 -14.1102 30.9573 29.8048 TIMING: 3399400 CPU: 10165.7, 0.00303054/step Wall: 10165.7, 0.00303054/step, 1.34741 hours remaining, 206.000000 MB of memory in use. ENERGY: 3399400 704.7252 2025.0928 1994.6866 117.8577 -206018.2790 17769.8027 0.0000 0.0000 34274.1668 -149131.9473 299.3248 -183406.1141 -149028.3062 298.5501 -103.6225 -71.8096 558563.6113 -11.8082 -11.9654 PRESSURE: 3399600 -178.103 132.031 49.7284 132.031 355.506 -56.2771 49.7284 -56.2771 -212.346 GPRESSURE: 3399600 -132.764 167.756 -6.24126 132.624 389.261 -98.2663 112.747 -83.3197 -190.654 PRESSAVG: 3399600 -50.0636 4.09656 23.4652 4.09656 104.997 -6.66522 23.4652 -6.66516 19.5259 GPRESSAVG: 3399600 -49.5641 4.15567 25.2143 3.14557 105.826 -7.06256 21.2169 -7.85039 18.394 TIMING: 3399600 CPU: 10166.3, 0.00303305/step Wall: 10166.3, 0.00303305/step, 1.34836 hours remaining, 206.000000 MB of memory in use. ENERGY: 3399600 707.0482 2084.0223 1936.4674 97.3503 -206202.8522 17815.0698 0.0000 0.0000 34286.5512 -149276.3429 299.4330 -183562.8941 -149181.1465 299.4613 -11.6476 21.9478 557470.0066 24.8198 24.8855 PRESSURE: 3399800 14.4753 -54.3303 -9.76725 -54.3301 -32.3171 74.1595 -9.76821 74.1602 -135.896 GPRESSURE: 3399800 19.0919 -98.6168 86.8085 -37.1776 -13.1245 -61.5183 -95.4165 143.628 -80.4197 PRESSAVG: 3399800 4.53104 28.5466 21.5974 28.5466 -2.5941 -3.10694 21.5975 -3.1069 18.6488 GPRESSAVG: 3399800 3.80401 29.6765 22.8098 26.0785 -2.94155 -5.08669 19.578 -1.50117 20.6364 TIMING: 3399800 CPU: 10166.9, 0.00302455/step Wall: 10166.9, 0.00302455/step, 1.34441 hours remaining, 206.000000 MB of memory in use. ENERGY: 3399800 749.6390 2119.6077 1955.2554 104.2702 -206212.8996 17744.3866 0.0000 0.0000 34211.7179 -149328.0227 298.7794 -183539.7406 -149233.9177 298.3616 -51.2459 -24.8174 557871.9048 6.8619 7.1663 PRESSURE: 3400000 259.563 87.1566 -60.5198 87.1566 57.5361 150.871 -60.521 150.872 -81.0905 GPRESSURE: 3400000 312.903 76.0454 -63.7005 101.055 43.2061 231.628 -84.8684 47.7503 -12.8454 PRESSAVG: 3400000 9.18912 35.5658 -18.2326 35.5658 -24.8226 50.874 -18.2326 50.8739 1.61284 GPRESSAVG: 3400000 10.0273 34.418 -18.9506 38.8503 -24.867 50.2903 -16.723 51.2225 0.625115 TIMING: 3400000 CPU: 10167.5, 0.00302333/step Wall: 10167.5, 0.00302332/step, 1.3437 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: 3400000 744.6280 2124.8690 1979.1105 113.8106 -206611.2746 18119.9696 0.0000 0.0000 34047.8252 -149481.0617 297.3481 -183528.8869 -149390.1842 298.6682 78.6697 114.4213 557385.1741 -4.6735 -4.7382 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3400000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3400000 WRITING COORDINATES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3400200 -351.358 -33.4004 47.7593 -33.3995 -62.4666 84.5891 47.7577 84.5894 -256.427 GPRESSURE: 3400200 -334.848 6.19429 49.2276 -16.0052 -6.17207 121.691 -1.08177 32.9577 -241.701 PRESSAVG: 3400200 -59.2215 -4.32172 15.2094 -4.32172 17.1584 7.06374 15.2095 7.06364 29.7027 GPRESSAVG: 3400200 -60.4672 -2.8803 13.298 -4.09964 18.3018 11.9298 15.8245 4.75141 29.8525 TIMING: 3400200 CPU: 10168.2, 0.00332756/step Wall: 10168.2, 0.00332756/step, 1.47873 hours remaining, 206.000000 MB of memory in use. ENERGY: 3400200 753.6950 2050.7585 1932.3123 114.8546 -206045.6634 17567.2408 0.0000 0.0000 34092.1739 -149534.6284 297.7354 -183626.8023 -149427.0099 298.3245 -223.4170 -194.2404 558916.1896 -4.1201 -4.1043 LDB: ============= START OF LOAD BALANCING ============== 10171.6 LDB: ============== END OF LOAD BALANCING =============== 10171.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10171.6 LDB: ============= START OF LOAD BALANCING ============== 10171.9 LDB: Largest compute 4820 load 0.026531 is 22.5% of average load 0.118065 LDB: Average compute 0.001733 is 1.5% of average load 0.118065 LDB: TIME 10171.9 LOAD: AVG 0.118065 MAX 0.211538 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.281 MB LDB: TIME 10171.9 LOAD: AVG 0.118065 MAX 0.211538 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.281 MB LDB: TIME 10171.9 LOAD: AVG 0.118065 MAX 0.211538 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.281 MB LDB: ============== END OF LOAD BALANCING =============== 10171.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 10171.9 Info: useSync: 0 useProxySync: 0 PRESSURE: 3400400 -12.141 -5.13458 -94.3346 -5.13433 -220.113 -36.7236 -94.3358 -36.7225 -16.7795 GPRESSURE: 3400400 -0.0383593 42.7191 -59.4695 -67.7404 -197.519 -48.5206 -119.247 -152.544 45.4668 PRESSAVG: 3400400 -36.7513 5.24089 34.991 5.24088 2.71264 40.9081 34.9909 40.908 3.88481 GPRESSAVG: 3400400 -37.0833 3.96608 37.4449 3.78911 2.12204 39.2281 34.0525 40.7273 4.86131 TIMING: 3400400 CPU: 10168.8, 0.00309137/step Wall: 10168.8, 0.00309137/step, 1.3736 hours remaining, 205.859375 MB of memory in use. ENERGY: 3400400 734.8699 2053.9938 1974.7190 119.6440 -206175.6841 17701.3594 0.0000 0.0000 34126.1365 -149464.9615 298.0320 -183591.0980 -149367.3702 298.4481 -83.0111 -50.6967 557351.6952 -10.0513 -10.0333 PRESSURE: 3400600 -8.69313 54.8154 -39.4946 54.8151 -222.635 -25.0158 -39.4945 -25.0166 -160.354 GPRESSURE: 3400600 -33.7793 42.0129 -69.9189 4.82842 -229.243 -16.6403 -30.2765 19.4591 -47.999 PRESSAVG: 3400600 41.3914 -16.5815 2.60636 -16.5816 -2.20146 -1.81584 2.60636 -1.81592 -12.9638 GPRESSAVG: 3400600 41.886 -16.6221 2.80059 -15.7988 -2.32821 -4.0487 1.7438 0.816452 -13.5697 TIMING: 3400600 CPU: 10169.4, 0.00305941/step Wall: 10169.4, 0.00305941/step, 1.35923 hours remaining, 205.859375 MB of memory in use. ENERGY: 3400600 755.7683 2031.3005 1999.2557 111.7155 -205865.4769 17606.7772 0.0000 0.0000 33976.6714 -149383.9884 296.7267 -183360.6598 -149284.8929 297.7137 -130.5606 -103.6737 559327.2780 8.7421 8.6627 PRESSURE: 3400800 -103.805 -104.036 79.3855 -104.036 123.303 52.2249 79.3852 52.2244 88.572 GPRESSURE: 3400800 -62.8157 -168.084 38.4374 -61.9898 179.705 83.1787 97.1276 16.5689 81.41 PRESSAVG: 3400800 6.08204 -60.5955 4.63003 -60.5955 -32.5843 -27.7719 4.63005 -27.7718 70.014 GPRESSAVG: 3400800 5.56104 -61.299 4.90809 -60.0223 -32.8103 -28.057 5.25585 -27.336 70.3366 TIMING: 3400800 CPU: 10170, 0.00304894/step Wall: 10170, 0.00304894/step, 1.35441 hours remaining, 205.859375 MB of memory in use. ENERGY: 3400800 736.0241 2084.2015 1958.3132 106.8174 -205782.3365 17645.9413 0.0000 0.0000 33939.7147 -149311.3243 296.4040 -183251.0390 -149214.3094 298.6313 36.0233 66.0997 557005.7059 14.5039 14.3624 PRESSURE: 3401000 -254.98 210.285 47.013 210.287 139.612 -44.5778 47.0126 -44.5789 -218.283 GPRESSURE: 3401000 -192.241 281.732 71.7525 177.357 100.701 1.45717 38.8961 -72.889 -137.431 PRESSAVG: 3401000 -3.0506 -16.4354 -66.3546 -16.4354 2.42819 39.0633 -66.3547 39.0632 -63.9901 GPRESSAVG: 3401000 -2.99158 -16.2623 -67.2859 -14.0624 2.00442 39.342 -65.0467 39.2457 -63.3212 TIMING: 3401000 CPU: 10170.6, 0.00305595/step Wall: 10170.6, 0.00305595/step, 1.35735 hours remaining, 205.859375 MB of memory in use. ENERGY: 3401000 713.2430 2053.3482 1963.8791 111.9325 -206153.3729 17756.4305 0.0000 0.0000 34217.1748 -149337.3648 298.8271 -183554.5395 -149251.2777 297.8717 -111.2167 -76.3239 558715.0887 -21.5375 -21.4361 PRESSURE: 3401200 -151.472 157.107 -115.611 157.107 157.186 -131.841 -115.611 -131.84 -156.649 GPRESSURE: 3401200 -125.69 127.945 -100.139 201.043 190.971 -23.7586 -132.443 -241.468 -109.218 PRESSAVG: 3401200 2.82943 77.0964 -76.228 77.0963 12.4186 37.3991 -76.228 37.399 13.019 GPRESSAVG: 3401200 2.59903 77.217 -77.9063 73.4531 12.1349 37.4332 -77.6425 34.7758 12.9784 TIMING: 3401200 CPU: 10171.2, 0.00305988/step Wall: 10171.2, 0.00305988/step, 1.35893 hours remaining, 205.859375 MB of memory in use. ENERGY: 3401200 725.0285 2113.0981 1948.1766 116.7685 -206057.8952 17745.0402 0.0000 0.0000 34100.4602 -149309.3232 297.8078 -183409.7834 -149216.3753 299.1426 -50.3115 -14.6457 557386.8235 9.4223 9.2374 PRESSURE: 3401400 14.6101 186.868 232.425 186.867 -165.491 -129.613 232.424 -129.614 -416.148 GPRESSURE: 3401400 55.9688 234.906 253.068 148.151 -156.004 -96.5334 219.091 -93.6202 -380.469 PRESSAVG: 3401400 -15.1011 28.0632 11.8604 28.0633 -106.482 28.5629 11.8604 28.563 113.589 GPRESSAVG: 3401400 -14.062 26.5148 12.8212 29.4559 -105.996 30.0684 12.5906 31.0004 112.255 TIMING: 3401400 CPU: 10171.8, 0.00306634/step Wall: 10171.8, 0.00306634/step, 1.36163 hours remaining, 205.859375 MB of memory in use. ENERGY: 3401400 750.6873 2054.6847 1960.0282 115.1353 -205960.7016 17541.2892 0.0000 0.0000 34335.1945 -149203.6824 299.8578 -183538.8769 -149109.7924 299.0991 -189.0095 -160.1681 558584.1973 -2.6647 -2.6010 PRESSURE: 3401600 -151.011 62.1525 45.3891 62.1523 -227.511 -13.4373 45.388 -13.4376 -181.11 GPRESSURE: 3401600 -165.489 51.5928 56.6167 11.7713 -190.069 -14.3543 54.8047 -42.7157 -114.762 PRESSAVG: 3401600 28.4708 -8.8265 71.6219 -8.82652 -15.3967 -5.05802 71.6219 -5.05801 -12.4012 GPRESSAVG: 3401600 28.5419 -8.69146 70.6641 -8.5556 -15.8086 -5.55599 73.3769 -7.20211 -12.2446 TIMING: 3401600 CPU: 10172.4, 0.00304227/step Wall: 10172.4, 0.00304227/step, 1.35077 hours remaining, 206.144531 MB of memory in use. ENERGY: 3401600 752.0020 2085.0394 1958.5847 118.6013 -205941.5721 17523.5892 0.0000 0.0000 34238.4231 -149265.3324 299.0127 -183503.7555 -149174.5690 298.8658 -186.5441 -156.7734 557616.8776 0.2243 0.1629 PRESSURE: 3401800 -391.495 88.7763 -15.0848 88.7757 85.2457 -18.55 -15.0853 -18.5513 48.6275 GPRESSURE: 3401800 -309.202 131.914 27.3464 147.274 98.3427 -21.1137 -6.24288 -69.19 63.1879 PRESSAVG: 3401800 -40.0072 1.75413 -30.6148 1.75412 97.4285 9.19104 -30.6148 9.19097 -14.7192 GPRESSAVG: 3401800 -41.6172 0.845754 -29.4029 0.417628 98.1226 10.5673 -30.5908 10.0822 -13.6151 TIMING: 3401800 CPU: 10173, 0.00302615/step Wall: 10173, 0.00302615/step, 1.34344 hours remaining, 206.144531 MB of memory in use. ENERGY: 3401800 746.4973 2073.0990 1955.8593 117.9733 -206475.8934 18074.8618 0.0000 0.0000 34078.7969 -149428.8058 297.6186 -183507.6026 -149335.2162 298.7777 -85.8740 -49.2238 558480.9765 14.2340 14.2967 PRESSURE: 3402000 52.895 2.48294 -28.7482 2.48257 165.53 45.3169 -28.7476 45.3157 28.0893 GPRESSURE: 3402000 32.3763 9.32984 -32.5106 22.9482 209.987 83.5814 -58.6202 1.68638 86.0657 PRESSAVG: 3402000 6.12127 32.2024 66.8892 32.2024 17.5879 -71.3663 66.8892 -71.3664 -33.5109 GPRESSAVG: 3402000 7.26471 34.0424 66.2814 32.1087 17.161 -73.3522 67.9505 -71.6678 -34.0908 TIMING: 3402000 CPU: 10173.7, 0.00306336/step Wall: 10173.7, 0.00306336/step, 1.35979 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: 3402000 679.7985 2103.5490 1916.7841 110.6310 -206404.5094 17872.6605 0.0000 0.0000 34185.5386 -149535.5477 298.5508 -183721.0864 -149436.3968 298.8496 82.1716 109.4763 557526.4122 -3.2672 -3.2217 PRESSURE: 3402200 97.2761 92.6753 106.396 92.6777 -138.801 -56.681 106.396 -56.6805 -12.3449 GPRESSURE: 3402200 100.536 72.6183 179.854 160.679 -81.1311 -8.60337 -60.5869 -4.2725 24.3584 PRESSAVG: 3402200 19.5987 4.02919 59.6036 4.02909 -27.5413 -2.69498 59.6036 -2.69497 22.3097 GPRESSAVG: 3402200 18.1592 3.85761 61.2444 5.73854 -27.1297 -1.20369 57.7553 -2.27351 22.4349 TIMING: 3402200 CPU: 10174.3, 0.00302469/step Wall: 10174.3, 0.00302469/step, 1.34246 hours remaining, 206.144531 MB of memory in use. ENERGY: 3402200 728.1311 2061.3224 1976.7697 99.0392 -206674.3049 18028.1685 0.0000 0.0000 34205.4478 -149575.4263 298.7247 -183780.8741 -149480.9290 297.9976 -17.9567 14.5877 557738.3088 4.7890 4.4881 PRESSURE: 3402400 86.1912 140.593 14.4155 140.592 114.759 133.591 14.4163 133.592 -132.251 GPRESSURE: 3402400 70.5909 90.5794 -115.927 115.495 144.195 227.644 108.528 107.293 -46.7244 PRESSAVG: 3402400 16.4579 64.6512 -60.217 64.6513 -29.0256 39.6947 -60.2169 39.6948 17.1245 GPRESSAVG: 3402400 17.3545 64.9596 -61.3489 63.0206 -29.8693 38.4708 -60.4414 39.408 16.8379 TIMING: 3402400 CPU: 10174.9, 0.00301263/step Wall: 10174.9, 0.00301263/step, 1.33694 hours remaining, 206.210938 MB of memory in use. ENERGY: 3402400 712.9471 2147.6093 1923.0535 108.3696 -206704.6394 17954.8621 0.0000 0.0000 34313.1164 -149544.6814 299.6650 -183857.7978 -149449.0431 298.4602 22.9000 56.0207 557377.4789 1.5189 1.4410 PRESSURE: 3402600 -199.265 21.8723 -15.3251 21.8712 58.522 -27.4872 -15.3255 -27.4884 54.1375 GPRESSURE: 3402600 -170.478 -41.8413 -60.9091 114.832 97.5008 -25.2852 -24.0312 1.36247 92.49 PRESSAVG: 3402600 -23.6084 52.5645 12.4342 52.5645 -37.8365 25.2277 12.4342 25.2275 43.7731 GPRESSAVG: 3402600 -22.532 52.6438 12.1295 52.5254 -37.6929 25.6986 13.3399 24.6235 43.0137 TIMING: 3402600 CPU: 10175.5, 0.00305485/step Wall: 10175.5, 0.00305485/step, 1.3555 hours remaining, 206.210938 MB of memory in use. ENERGY: 3402600 733.1511 2118.4792 1951.8012 114.1542 -206205.6242 17687.1218 0.0000 0.0000 34172.3346 -149428.5821 298.4355 -183600.9167 -149338.6783 298.0921 -28.8686 6.5042 557366.8937 -5.8906 -5.7371 PRESSURE: 3402800 16.1909 172.085 45.6239 172.085 -195.684 164.658 45.6235 164.658 -139.685 GPRESSURE: 3402800 99.7131 117.031 16.4436 119.376 -203.638 102.157 49.4316 123.604 -115.887 PRESSAVG: 3402800 -49.9999 25.1359 17.1537 25.1359 11.4455 -5.90363 17.1537 -5.90358 25.6678 GPRESSAVG: 3402800 -49.5923 25.8615 17.6444 24.6445 10.875 -4.9123 16.2892 -3.5526 25.3478 TIMING: 3402800 CPU: 10176.1, 0.00303067/step Wall: 10176.1, 0.00303067/step, 1.34461 hours remaining, 206.210938 MB of memory in use. ENERGY: 3402800 770.0327 2039.0226 1922.4595 106.0531 -206236.3603 17675.2668 0.0000 0.0000 34420.6030 -149302.9226 300.6037 -183723.5256 -149208.1257 299.3105 -106.3927 -73.2705 557561.9207 -4.2955 -4.4565 PRESSURE: 3403000 -315.192 85.5948 65.9131 85.596 -436.089 76.6486 65.9138 76.6477 23.4167 GPRESSURE: 3403000 -286.073 56.6615 162.999 81.6621 -416.127 -47.2187 49.4813 151.724 85.584 PRESSAVG: 3403000 -54.1363 -39.117 39.1313 -39.1171 -13.1138 18.6889 39.1314 18.6889 36.7727 GPRESSAVG: 3403000 -54.491 -39.4089 39.7402 -38.8044 -13.2122 17.9906 39.8254 17.1071 37.0663 TIMING: 3403000 CPU: 10176.7, 0.00303531/step Wall: 10176.7, 0.00303531/step, 1.3465 hours remaining, 206.210938 MB of memory in use. ENERGY: 3403000 788.3061 2124.9266 1965.4874 119.1056 -205830.0420 17442.4175 0.0000 0.0000 34151.4954 -149238.3034 298.2535 -183389.7989 -149141.7068 299.4903 -242.6213 -205.5388 559048.1567 -10.1591 -10.2123 PRESSURE: 3403200 -98.9557 -74.1273 121.927 -74.1272 -249.914 -47.873 121.926 -47.8724 -191.494 GPRESSURE: 3403200 -97.4763 -68.566 20.4232 43.267 -273.685 -121.853 172.695 84.9688 -85.6564 PRESSAVG: 3403200 -5.73561 11.6262 103.839 11.6261 -6.91246 23.7603 103.839 23.7604 26.1464 GPRESSAVG: 3403200 -6.2712 11.3863 101.829 12.9063 -6.99817 22.8019 103.952 24.7528 27.0719 TIMING: 3403200 CPU: 10177.3, 0.00302002/step Wall: 10177.3, 0.00302002/step, 1.33955 hours remaining, 206.210938 MB of memory in use. ENERGY: 3403200 747.5202 2158.9393 1935.3859 109.9518 -205811.5843 17504.9030 0.0000 0.0000 34205.4446 -149149.4394 298.7247 -183354.8839 -149055.3190 299.6892 -180.1212 -152.2726 558167.6968 4.4995 4.6009 PRESSURE: 3403400 -153.608 59.3698 172.158 59.3703 80.357 -41.996 172.158 -41.9973 46.2728 GPRESSURE: 3403400 -140.346 -25.0094 137.739 96.4989 175.32 10.6995 178.408 -44.3458 40.3731 PRESSAVG: 3403400 51.9985 39.7531 56.0501 39.753 -10.7279 7.06595 56.0501 7.0659 -33.7876 GPRESSAVG: 3403400 51.2785 41.0581 57.6097 39.0935 -9.98812 9.54469 55.9547 5.38214 -33.8247 TIMING: 3403400 CPU: 10177.9, 0.00301465/step Wall: 10177.9, 0.00301465/step, 1.337 hours remaining, 206.210938 MB of memory in use. ENERGY: 3403400 758.5932 2115.7739 1950.7582 117.8008 -206172.2036 17796.3318 0.0000 0.0000 34034.6901 -149398.2556 297.2334 -183432.9457 -149304.9787 299.0342 -8.9927 25.1158 557990.6023 2.4943 2.4886 PRESSURE: 3403600 65.995 -17.7149 27.2888 -17.7154 -31.9554 -79.535 27.2886 -79.5357 56.2765 GPRESSURE: 3403600 177.036 -36.3612 81.4038 -46.7988 -36.2701 -70.8596 -3.53004 -39.4407 56.7472 PRESSAVG: 3403600 80.1298 12.6463 -6.08226 12.6463 -30.4071 -0.610252 -6.08229 -0.610215 -44.0518 GPRESSAVG: 3403600 81.2579 13.0891 -7.01262 12.7951 -31.1756 -2.05267 -7.11306 1.34614 -44.8703 TIMING: 3403600 CPU: 10178.5, 0.00303018/step Wall: 10178.5, 0.00303018/step, 1.34372 hours remaining, 206.210938 MB of memory in use. ENERGY: 3403600 699.7794 2100.2800 1953.1153 122.6946 -206332.1039 17924.5562 0.0000 0.0000 34332.2505 -149199.4280 299.8321 -183531.6785 -149109.0693 298.7082 30.1054 65.8376 559278.2886 1.8903 1.7374 PRESSURE: 3403800 -2.74307 -10.0569 70.7932 -10.057 -310.733 26.0342 70.7926 26.0356 -85.55 GPRESSURE: 3403800 15.6751 1.87946 107.108 -34.7589 -240.158 -15.7733 -8.33471 55.8352 -83.6704 PRESSAVG: 3403800 51.0656 -18.973 4.84117 -18.973 20.7802 20.9133 4.84107 20.9134 -43.7681 GPRESSAVG: 3403800 49.8721 -21.4966 6.61678 -19.7758 22.09 21.274 5.83265 18.976 -42.733 TIMING: 3403800 CPU: 10179.1, 0.00304506/step Wall: 10179.1, 0.00304506/step, 1.35014 hours remaining, 206.210938 MB of memory in use. ENERGY: 3403800 787.1170 2127.5182 1964.3568 115.4652 -206470.0119 17867.7682 0.0000 0.0000 34259.9674 -149347.8191 299.2008 -183607.7865 -149252.9500 298.9133 -133.0085 -102.7178 558342.6153 9.3592 9.7430 PRESSURE: 3404000 -239.84 -133.242 -112.274 -133.243 -276.931 254.46 -112.274 254.462 -154.185 GPRESSURE: 3404000 -178.904 -174.137 -182.361 -85.7875 -235.981 265.34 -96.444 261.928 -167.8 PRESSAVG: 3404000 -20.0723 -2.07929 27.7389 -2.07935 -38.2629 34.4209 27.739 34.4209 38.8824 GPRESSAVG: 3404000 -18.8898 -1.8506 27.8073 -1.83069 -39.2999 34.2158 24.791 35.6284 38.7307 TIMING: 3404000 CPU: 10179.7, 0.00301125/step Wall: 10179.7, 0.00301125/step, 1.33499 hours remaining, 206.210938 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: 3404000 769.2065 2072.6105 1943.7120 107.6695 -205876.7097 17552.5378 0.0000 0.0000 34230.3812 -149200.5921 298.9424 -183430.9733 -149097.9181 299.0737 -223.6521 -194.2286 558143.8869 -6.4843 -6.4863 PRESSURE: 3404200 -285.576 67.4148 70.7846 67.4138 -252.794 106.276 70.7843 106.276 -210.029 GPRESSURE: 3404200 -263.724 78.6438 30.313 65.6479 -238.994 69.5924 -38.6056 91.2594 -151.88 PRESSAVG: 3404200 32.2881 35.2868 -40.485 35.2869 -48.2872 49.514 -40.485 49.5141 16.0453 GPRESSAVG: 3404200 31.7325 37.7405 -43.3041 34.4768 -46.8828 50.0343 -36.9958 47.9471 14.7555 TIMING: 3404200 CPU: 10180.3, 0.00302713/step Wall: 10180.3, 0.00302713/step, 1.34186 hours remaining, 206.210938 MB of memory in use. ENERGY: 3404200 722.8836 2132.4840 1952.0114 119.7996 -205703.2501 17396.5780 0.0000 0.0000 34257.7087 -149121.7849 299.1811 -183379.4935 -149025.4336 299.1835 -249.4663 -218.1995 558718.6954 0.0154 -0.1316 LDB: ============= START OF LOAD BALANCING ============== 10183.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10183.8 LDB: =============== DONE WITH MIGRATION ================ 10183.8 LDB: ============= START OF LOAD BALANCING ============== 10184.1 LDB: Largest compute 4819 load 0.026003 is 22.0% of average load 0.118054 LDB: Average compute 0.001737 is 1.5% of average load 0.118054 LDB: TIME 10184.1 LOAD: AVG 0.118054 MAX 0.212691 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.738 MB LDB: TIME 10184.1 LOAD: AVG 0.118054 MAX 0.212691 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.742 MB LDB: TIME 10184.1 LOAD: AVG 0.118054 MAX 0.212691 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 10184.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10184.1 PRESSURE: 3404400 -128.199 -63.5724 19.1464 -63.5718 -279.498 18.1549 19.1461 18.1544 183.961 GPRESSURE: 3404400 -51.6479 -36.1518 154.693 -29.1708 -257.12 34.3618 -54.1658 -78.6015 167.2 PRESSAVG: 3404400 -10.3271 21.7682 30.3553 21.7681 8.6005 -16.5339 30.3553 -16.534 41.061 GPRESSAVG: 3404400 -9.11403 17.462 31.0386 23.3081 5.80845 -18.0771 28.1736 -16.4452 42.3639 TIMING: 3404400 CPU: 10180.9, 0.00308177/step Wall: 10180.9, 0.00308177/step, 1.36591 hours remaining, 205.996094 MB of memory in use. ENERGY: 3404400 752.5344 2087.1203 1946.9444 119.5283 -206240.2876 17835.7948 0.0000 0.0000 34227.2512 -149271.1142 298.9151 -183498.3654 -149181.7093 298.8454 -74.5785 -47.1893 557588.7661 13.1115 13.0195 PRESSURE: 3404600 -72.6748 20.6333 -182.256 20.6339 -20.5439 55.3666 -182.255 55.3662 -75.1846 GPRESSURE: 3404600 -13.5702 -6.56545 -170.758 13.8296 -35.0287 116.98 -146.589 -20.18 -6.40842 PRESSAVG: 3404600 -9.73813 23.1602 -24.7243 23.1602 2.50672 -9.08024 -24.7242 -9.08023 -11.2806 GPRESSAVG: 3404600 -9.72097 24.4853 -23.755 21.738 4.1985 -9.30573 -23.9398 -8.22433 -12.2293 TIMING: 3404600 CPU: 10181.5, 0.00304962/step Wall: 10181.5, 0.00304962/step, 1.35149 hours remaining, 206.195312 MB of memory in use. ENERGY: 3404600 750.9235 2040.2869 1940.4748 113.1612 -206136.7844 17878.5675 0.0000 0.0000 34263.0334 -149150.3371 299.2276 -183413.3705 -149050.5683 299.4298 -56.1344 -18.3358 558607.4101 -6.1707 -5.9173 PRESSURE: 3404800 18.6982 117.405 121.947 117.404 121.982 56.4626 121.946 56.464 3.95164 GPRESSURE: 3404800 11.3213 76.2313 35.9961 77.759 168.169 5.74125 172.908 131.22 76.1013 PRESSAVG: 3404800 -68.1455 38.9682 43.0375 38.9681 12.9725 -40.1569 43.0373 -40.1568 44.7946 GPRESSAVG: 3404800 -68.6021 40.8705 42.8934 38.8658 12.6934 -38.6561 42.9004 -38.4108 45.6273 TIMING: 3404800 CPU: 10182.2, 0.00305157/step Wall: 10182.2, 0.00305157/step, 1.35218 hours remaining, 206.195312 MB of memory in use. ENERGY: 3404800 723.0356 2098.3966 1953.3100 113.5349 -206282.2470 17781.7733 0.0000 0.0000 34527.8102 -149084.3864 301.5400 -183612.1966 -148987.0277 299.5233 48.2107 85.1973 557157.0967 -3.4594 -3.4272 PRESSURE: 3405000 -66.7686 -110.706 114.519 -110.706 23.0293 -94.2292 114.52 -94.2293 -143.105 GPRESSURE: 3405000 -85.5198 -143.038 155.967 -64.6572 93.6273 -68.8772 163.053 -133.274 -97.4505 PRESSAVG: 3405000 -27.1614 42.2912 14.6181 42.291 17.4788 -42.1056 14.6181 -42.1055 -22.909 GPRESSAVG: 3405000 -28.5672 43.0222 16.1668 39.6099 19.1587 -41.8042 13.8439 -43.8602 -22.7736 TIMING: 3405000 CPU: 10182.8, 0.00303196/step Wall: 10182.8, 0.00303196/step, 1.34333 hours remaining, 206.195312 MB of memory in use. ENERGY: 3405000 723.4634 2103.5015 1928.8704 108.5508 -205986.6334 17570.5849 0.0000 0.0000 34470.0665 -149081.5960 301.0357 -183551.6625 -148984.3773 300.5773 -62.2815 -29.7810 557791.4090 -10.8639 -10.7274 PRESSURE: 3405200 -6.02417 -172.872 40.741 -172.872 63.4154 34.1824 40.741 34.1818 -106.675 GPRESSURE: 3405200 55.8278 -154.057 113.041 -203.951 82.1128 57.1255 -29.7269 30.0653 -91.603 PRESSAVG: 3405200 31.3961 -35.1666 -34.5984 -35.1667 -39.5985 -9.06667 -34.5984 -9.06666 5.13466 GPRESSAVG: 3405200 33.0361 -37.0734 -35.4197 -31.7706 -41.4994 -9.52955 -34.3478 -8.30326 4.85657 TIMING: 3405200 CPU: 10183.4, 0.00300747/step Wall: 10183.4, 0.00300747/step, 1.33231 hours remaining, 206.195312 MB of memory in use. ENERGY: 3405200 703.8099 2052.3519 1931.3656 111.2032 -206195.0545 17778.7184 0.0000 0.0000 34479.4694 -149138.1362 301.1178 -183617.6056 -149046.6223 300.1446 -16.4279 15.4459 558328.4534 -1.0226 -1.2022 PRESSURE: 3405400 18.1837 -13.531 125.001 -13.5323 53.3361 26.686 125.001 26.6858 19.4112 GPRESSURE: 3405400 24.5348 -83.3344 121.115 23.496 110.572 -16.1117 186.88 22.7444 58.5944 PRESSAVG: 3405400 4.31757 32.5793 -32.1249 32.5794 7.1335 22.6884 -32.1249 22.6884 -18.047 GPRESSAVG: 3405400 4.34372 31.9246 -34.035 31.8391 7.70045 22.2055 -30.7266 22.3478 -18.2806 TIMING: 3405400 CPU: 10184, 0.00302164/step Wall: 10184, 0.00302164/step, 1.33842 hours remaining, 206.195312 MB of memory in use. ENERGY: 3405400 726.8164 2072.9220 1920.3789 110.5552 -206111.9393 17807.2862 0.0000 0.0000 34427.9800 -149046.0006 300.6681 -183473.9806 -148943.4500 299.4172 30.3103 64.5672 557356.4933 -2.1986 -2.0788 PRESSURE: 3405600 210.875 -202.099 -27.564 -202.099 70.6203 150.956 -27.566 150.958 -102.208 GPRESSURE: 3405600 191.976 -258.361 52.0625 -239.115 113.6 160.282 -91.2668 125.407 -34.0772 PRESSAVG: 3405600 -6.79933 -42.0659 24.11 -42.066 -23.3432 32.0655 24.1101 32.0655 14.6072 GPRESSAVG: 3405600 -8.04264 -43.0839 24.9432 -40.494 -23.636 32.8748 24.9907 30.3266 15.3858 TIMING: 3405600 CPU: 10184.6, 0.0030318/step Wall: 10184.6, 0.0030318/step, 1.34275 hours remaining, 206.195312 MB of memory in use. ENERGY: 3405600 713.4261 2072.2325 1931.2939 100.0267 -206067.2196 17741.6296 0.0000 0.0000 34222.9395 -149285.6713 298.8774 -183508.6108 -149193.0661 299.3336 59.7624 90.4997 558537.4118 -5.1784 -5.4309 PRESSURE: 3405800 -101.945 10.1038 -56.8697 10.1036 -183.471 36.2553 -56.8701 36.2562 -194.578 GPRESSURE: 3405800 -26.744 73.3647 -100.946 -41.8513 -149.644 105.71 -75.9065 46.6673 -203.997 PRESSAVG: 3405800 14.5768 -65.9194 -60.602 -65.9195 -9.14956 -40.7728 -60.602 -40.7728 2.48251 GPRESSAVG: 3405800 15.952 -63.1145 -59.7683 -66.2826 -9.31693 -40.2334 -61.8365 -40.8563 1.74415 TIMING: 3405800 CPU: 10185.2, 0.00302195/step Wall: 10185.2, 0.00302195/step, 1.33822 hours remaining, 206.195312 MB of memory in use. ENERGY: 3405800 739.5396 2076.9808 1918.4734 115.2775 -205921.9447 17607.4001 0.0000 0.0000 34329.9779 -149134.2953 299.8122 -183464.2732 -149044.2826 298.7965 -159.9981 -126.7948 559540.3643 2.6366 2.7931 PRESSURE: 3406000 144.184 -1.48624 102.013 -1.48706 20.922 126.321 102.014 126.321 -79.2196 GPRESSURE: 3406000 181.145 -128.282 176.352 56.8951 28 107.155 79.0397 43.4111 -14.0393 PRESSAVG: 3406000 0.12622 -60.62 -53.0991 -60.62 -7.60779 35.5349 -53.0991 35.5349 -20.3446 GPRESSAVG: 3406000 -0.382039 -61.4857 -52.4952 -62.2424 -7.92696 34.9891 -52.6292 37.3946 -19.1814 TIMING: 3406000 CPU: 10185.8, 0.00304691/step Wall: 10185.8, 0.00304691/step, 1.3491 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: 3406000 750.6580 2072.9915 1980.0924 127.8318 -206228.2369 18022.8945 0.0000 0.0000 34212.9654 -149060.8035 298.7903 -183273.7688 -148964.4577 299.6311 28.6289 65.0352 559982.4978 -9.2754 -9.1635 PRESSURE: 3406200 74.65 55.3328 61.7814 55.3321 -225.644 75.2915 61.781 75.2915 172.088 GPRESSURE: 3406200 114.213 51.9698 90.2035 85.6757 -161.367 11.7287 34.375 134.086 170.978 PRESSAVG: 3406200 8.18043 3.4031 -12.536 3.40301 -33.6002 -1.8388 -12.5359 -1.83888 53.7743 GPRESSAVG: 3406200 7.29137 4.10458 -12.3971 3.67023 -33.0473 -1.0072 -13.7883 -1.34676 54.8694 TIMING: 3406200 CPU: 10186.4, 0.00304153/step Wall: 10186.4, 0.00304153/step, 1.34655 hours remaining, 206.195312 MB of memory in use. ENERGY: 3406200 720.4138 2106.6879 1927.5028 107.2048 -206117.1801 17887.6438 0.0000 0.0000 34355.2640 -149012.4631 300.0331 -183367.7271 -148920.7559 299.4374 7.0314 41.2748 558669.3309 9.4515 9.7045 PRESSURE: 3406400 82.0332 20.2337 -45.3361 20.2342 139.016 -49.744 -45.337 -49.7427 16.8962 GPRESSURE: 3406400 83.5064 43.2972 -69.8055 -87.8637 161.606 -69.7519 38.9582 51.1951 82.5363 PRESSAVG: 3406400 -6.92946 14.6756 -14.6566 14.6757 -33.0902 33.6921 -14.6566 33.692 70.8968 GPRESSAVG: 3406400 -3.98635 13.919 -16.271 13.3423 -33.789 34.8217 -15.6048 33.1205 68.7386 TIMING: 3406400 CPU: 10187, 0.00304059/step Wall: 10187, 0.00304059/step, 1.34597 hours remaining, 206.195312 MB of memory in use. ENERGY: 3406400 740.8120 2042.8360 1956.0363 100.4099 -206226.3569 17934.1340 0.0000 0.0000 34382.6392 -149069.4895 300.2721 -183452.1287 -148979.6076 299.2652 79.3151 109.2163 557436.0410 10.2924 10.3211 PRESSURE: 3406600 462.624 47.6394 173.574 47.6389 90.268 -49.958 173.574 -49.9584 142.703 GPRESSURE: 3406600 534.839 -36.2856 125.084 58.0982 137.851 75.8791 276.459 -59.746 111.362 PRESSAVG: 3406600 -13.413 -22.9473 66.2545 -22.9473 -0.67222 59.0331 66.2544 59.0332 31.5881 GPRESSAVG: 3406600 -16.105 -23.9228 67.4503 -22.0575 -0.730191 57.5999 67.4454 59.3368 34.1837 TIMING: 3406600 CPU: 10187.6, 0.00300637/step Wall: 10187.6, 0.00300637/step, 1.33065 hours remaining, 206.195312 MB of memory in use. ENERGY: 3406600 742.9760 2013.3011 1957.5037 107.9218 -206569.6263 18111.5615 0.0000 0.0000 34642.4839 -148993.8782 302.5414 -183636.3621 -148895.4331 299.5916 231.8650 261.3508 555961.0212 5.8343 5.7828 PRESSURE: 3406800 -185.554 47.7017 10.8271 47.6997 -64.7949 104.854 10.8281 104.852 132.031 GPRESSURE: 3406800 -166.507 26.1256 61.8117 -27.5512 -12.0903 118.218 -20.5383 127.904 171.779 PRESSAVG: 3406800 -7.25141 -19.4645 -30.4384 -19.4644 13.3095 13.7961 -30.4382 13.7961 8.13362 GPRESSAVG: 3406800 -6.6718 -18.7083 -32.4508 -20.1018 13.8334 13.8864 -29.9908 12.5549 6.98378 TIMING: 3406800 CPU: 10188.2, 0.00298927/step Wall: 10188.2, 0.00298927/step, 1.32292 hours remaining, 206.195312 MB of memory in use. ENERGY: 3406800 777.6809 2126.0989 1932.9771 105.3833 -205967.7215 17722.3662 0.0000 0.0000 34036.4025 -149266.8126 297.2484 -183303.2151 -149165.8572 299.4889 -39.4392 -2.2730 557250.8248 4.7306 4.7151 PRESSURE: 3407000 11.4704 7.12662 45.325 7.12618 84.8747 -143.899 45.3248 -143.898 172.624 GPRESSURE: 3407000 102.262 30.9723 27.0646 128.044 79.981 -179.5 88.6033 -57.3285 174.554 PRESSAVG: 3407000 20.4774 5.96238 -34.8959 5.96236 -6.91797 -8.30122 -34.896 -8.30106 -40.8229 GPRESSAVG: 3407000 19.9545 6.14911 -31.9177 6.33933 -5.98329 -10.1764 -36.3753 -7.45851 -41.2868 TIMING: 3407000 CPU: 10188.8, 0.00300526/step Wall: 10188.8, 0.00300526/step, 1.32983 hours remaining, 206.195312 MB of memory in use. ENERGY: 3407000 789.8283 2116.4401 1936.5526 103.7217 -206547.5331 18106.8513 0.0000 0.0000 34161.8161 -149332.3231 298.3436 -183494.1391 -149234.2996 298.6938 89.6565 118.9324 555444.5745 -9.0878 -9.1052 PRESSURE: 3407200 97.404 238.269 -144.206 238.27 -9.4641 169.458 -144.206 169.457 103.862 GPRESSURE: 3407200 167.276 167.556 -161.458 283.02 13.4363 152.164 -38.9839 143.698 98.4661 PRESSAVG: 3407200 44.1391 -5.84776 10.1904 -5.84781 -33.6092 9.50223 10.1904 9.50208 35.6975 GPRESSAVG: 3407200 44.4333 -6.13148 8.09771 -6.31932 -34.7219 10.849 11.6829 9.88755 36.3965 TIMING: 3407200 CPU: 10189.4, 0.00298194/step Wall: 10189.4, 0.00298194/step, 1.31934 hours remaining, 206.195312 MB of memory in use. ENERGY: 3407200 761.0662 2097.9424 1935.0487 120.9314 -206100.6214 17790.1709 0.0000 0.0000 34085.1908 -149310.2709 297.6744 -183395.4617 -149215.9679 298.5550 63.9339 93.0594 555767.0356 15.4091 15.3693 PRESSURE: 3407400 0.503686 47.3076 -94.4859 47.3086 53.6041 7.01415 -94.4862 7.01523 67.3496 GPRESSURE: 3407400 17.5087 37.4341 -116.76 -7.66508 75.4433 -119.39 -32.811 -25.4184 138.519 PRESSAVG: 3407400 24.1941 -41.3333 -36.7376 -41.3333 -61.7889 60.8651 -36.7376 60.865 30.7679 GPRESSAVG: 3407400 25.1273 -41.9091 -36.8676 -40.4288 -62.5929 59.8273 -38.3384 60.6537 30.6989 TIMING: 3407400 CPU: 10190, 0.00301401/step Wall: 10190, 0.00301401/step, 1.33336 hours remaining, 206.195312 MB of memory in use. ENERGY: 3407400 714.8872 2095.5925 1935.9270 115.6153 -205994.5386 17776.7482 0.0000 0.0000 34152.6267 -149203.1418 298.2634 -183355.7685 -149105.1797 299.6635 40.4858 77.1570 557048.1091 -2.2756 -2.2555 PRESSURE: 3407600 53.4732 104.874 39.9683 104.875 113.776 -137.014 39.9685 -137.013 -272.29 GPRESSURE: 3407600 113.267 71.1233 25.419 139.217 117.937 -87.9027 61.0033 -135.317 -243.083 PRESSAVG: 3407600 17.369 -16.0381 34.8271 -16.0382 -8.81225 -3.98864 34.8272 -3.98849 12.9652 GPRESSAVG: 3407600 17.5219 -14.9852 37.1624 -15.6786 -8.89014 -2.17905 35.7143 -6.12599 12.3014 TIMING: 3407600 CPU: 10190.6, 0.00301742/step Wall: 10190.6, 0.00301742/step, 1.3347 hours remaining, 206.195312 MB of memory in use. ENERGY: 3407600 734.5420 2056.7342 1929.0398 100.6158 -206057.9501 17653.3152 0.0000 0.0000 34345.1514 -149238.5516 299.9447 -183583.7030 -149142.7522 299.0627 -35.0137 -3.9598 557705.7859 7.1740 6.9777 PRESSURE: 3407800 -19.461 -4.21181 -115.956 -4.21072 -253.451 110.348 -115.955 110.348 -221.631 GPRESSURE: 3407800 11.7163 34.4926 -154.145 -77.3571 -204.731 181.852 -119.195 170.524 -204.323 PRESSAVG: 3407800 22.3576 -30.205 42.5312 -30.2051 -48.3524 -12.4362 42.5311 -12.4362 8.02441 GPRESSAVG: 3407800 21.2965 -32.0734 40.9296 -30.4304 -47.0582 -11.9951 42.324 -11.2398 7.59768 TIMING: 3407800 CPU: 10191.2, 0.00302418/step Wall: 10191.2, 0.00302418/step, 1.33753 hours remaining, 206.195312 MB of memory in use. ENERGY: 3407800 734.8593 2140.5104 1931.0189 110.3609 -205862.0942 17562.8521 0.0000 0.0000 34151.0320 -149231.4607 298.2495 -183382.4927 -149135.0740 298.9908 -164.8476 -132.4460 558534.9798 -5.9901 -6.0547 PRESSURE: 3408000 59.6908 115.448 -15.9111 115.449 192.897 -33.2609 -15.9116 -33.2611 -94.7883 GPRESSURE: 3408000 71.5558 215.278 -14.9539 103.512 256.305 -55.2722 -37.8962 -24.4638 -78.7546 PRESSAVG: 3408000 17.9356 4.51208 29.9791 4.51202 10.1748 21.1079 29.9792 21.1078 -10.463 GPRESSAVG: 3408000 18.6589 5.88161 30.0363 3.89143 9.58044 20.6153 29.8572 20.9938 -10.932 TIMING: 3408000 CPU: 10191.8, 0.00301821/step Wall: 10191.8, 0.00301821/step, 1.33472 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: 3408000 747.1378 2076.8748 1965.2655 112.0595 -206119.0517 17800.5410 0.0000 0.0000 34141.2927 -149275.8805 298.1644 -183417.1732 -149177.2078 299.0455 52.5999 83.0353 556496.1091 5.8825 5.7691 PRESSURE: 3408200 -63.5672 -96.7967 -53.9768 -96.7973 63.8337 8.63103 -53.9771 8.6317 -114.822 GPRESSURE: 3408200 -44.8953 -135.231 -16.4466 -52.5447 69.2552 -80.3819 -73.1316 109.565 -42.4716 PRESSAVG: 3408200 2.04796 55.1769 33.9191 55.1769 -7.32296 -32.2668 33.9192 -32.2668 -33.0576 GPRESSAVG: 3408200 1.74557 55.736 34.7488 55.0253 -7.56793 -32.6411 33.829 -31.4976 -33.214 TIMING: 3408200 CPU: 10192.4, 0.00300411/step Wall: 10192.4, 0.00300411/step, 1.32832 hours remaining, 206.195312 MB of memory in use. ENERGY: 3408200 735.7401 2087.7101 1941.0803 135.6929 -206265.4548 17739.7118 0.0000 0.0000 34240.1607 -149385.3589 299.0278 -183625.5196 -149295.5506 298.6276 -38.1852 -6.0372 555733.9022 -12.7775 -13.0121 LDB: ============= START OF LOAD BALANCING ============== 10195.8 LDB: ============== END OF LOAD BALANCING =============== 10195.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10195.8 LDB: ============= START OF LOAD BALANCING ============== 10196.1 LDB: Largest compute 4819 load 0.026397 is 22.3% of average load 0.118126 LDB: Average compute 0.001730 is 1.5% of average load 0.118126 LDB: TIME 10196.1 LOAD: AVG 0.118126 MAX 0.211218 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.062 MB LDB: TIME 10196.1 LOAD: AVG 0.118126 MAX 0.211218 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: TIME 10196.1 LOAD: AVG 0.118126 MAX 0.211218 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10196.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10196.2 PRESSURE: 3408400 -182.278 -28.3611 115.353 -28.361 -35.3074 -107.925 115.355 -107.925 -64.4551 GPRESSURE: 3408400 -211.092 -3.23293 67.669 28.4375 -15.7164 -51.4896 88.0563 -100.171 46.2339 PRESSAVG: 3408400 -17.3905 -15.1439 27.4026 -15.1439 42.5765 1.46122 27.4027 1.46126 -11.4869 GPRESSAVG: 3408400 -17.2648 -16.5712 25.4175 -13.1009 42.61 0.609053 26.711 4.36115 -11.6703 TIMING: 3408400 CPU: 10193, 0.00306053/step Wall: 10193, 0.00306053/step, 1.35309 hours remaining, 207.531250 MB of memory in use. ENERGY: 3408400 737.6651 2024.2848 1945.0438 98.1936 -206136.7935 17649.8780 0.0000 0.0000 34280.9965 -149400.7318 299.3845 -183681.7283 -149307.2855 299.1275 -94.0135 -60.1914 556712.8892 4.5663 4.5583 PRESSURE: 3408600 -59.0108 9.39012 9.39483 9.38824 214.788 -88.9621 9.39433 -88.9608 -156.403 GPRESSURE: 3408600 -21.297 2.77432 6.61053 98.1876 184.363 -87.1663 -48.1689 -108.808 -82.7208 PRESSAVG: 3408600 -31.0385 -19.2334 28.9811 -19.2334 58.8276 -32.6279 28.9811 -32.6278 -12.4551 GPRESSAVG: 3408600 -31.2833 -18.3325 28.7483 -20.2843 58.5562 -34.2753 30.8122 -35.6764 -11.7368 TIMING: 3408600 CPU: 10193.6, 0.00299432/step Wall: 10193.6, 0.00299432/step, 1.32366 hours remaining, 207.734375 MB of memory in use. ENERGY: 3408600 719.2224 2058.6959 1966.7879 116.6404 -205961.6768 17833.9660 0.0000 0.0000 33859.5996 -149406.7647 295.7043 -183266.3642 -149307.0285 299.0003 -0.2088 26.7817 559436.2819 5.1113 5.1787 PRESSURE: 3408800 -32.4932 -71.9134 21.0944 -71.9131 86.7911 162.952 21.0945 162.952 -32.7255 GPRESSURE: 3408800 -6.57357 -34.5979 64.1493 -120.618 86.305 183.713 39.5786 224.83 40.8407 PRESSAVG: 3408800 -52.4699 64.1123 34.2912 64.1123 43.6245 25.6335 34.2912 25.6336 -0.652322 GPRESSAVG: 3408800 -52.4094 64.7728 36.4024 63.5584 44.1679 26.7053 32.4735 28.542 -1.24187 TIMING: 3408800 CPU: 10194.2, 0.00298879/step Wall: 10194.2, 0.00298879/step, 1.32105 hours remaining, 207.734375 MB of memory in use. ENERGY: 3408800 761.8315 2138.2000 1953.7070 109.1913 -206536.0586 17852.5306 0.0000 0.0000 34399.0194 -149321.5787 300.4152 -183720.5982 -149225.0789 298.7171 7.1908 40.1907 556029.2987 -3.1659 -3.1611 PRESSURE: 3409000 183.813 -58.5925 -13.665 -58.592 -35.5577 67.2834 -13.6653 67.2824 -62.5459 GPRESSURE: 3409000 224.159 -29.0625 45.4881 -79.082 -22.492 50.1036 -84.4459 78.7122 -15.345 PRESSAVG: 3409000 -6.99548 5.1244 77.6314 5.12455 -50.8361 35.0618 77.6314 35.0618 38.2924 GPRESSAVG: 3409000 -8.01652 3.51617 75.6925 6.52305 -50.1848 35.5785 78.3253 32.1574 38.5282 TIMING: 3409000 CPU: 10194.8, 0.00301132/step Wall: 10194.8, 0.00301132/step, 1.33084 hours remaining, 207.734375 MB of memory in use. ENERGY: 3409000 735.3520 2110.0538 1940.8936 101.7560 -206130.7353 17871.0192 0.0000 0.0000 34194.3843 -149177.2763 298.6281 -183371.6607 -149080.0936 299.1866 28.5696 62.1072 556572.3771 -6.5131 -6.5577 PRESSURE: 3409200 -164.05 -40.0702 -65.8283 -40.0707 -252.075 13.8729 -65.8286 13.8732 -282.013 GPRESSURE: 3409200 -99.1123 -57.7636 13.2518 -59.887 -233.644 -47.313 -136.986 -27.4747 -269.88 PRESSAVG: 3409200 71.1486 36.1973 -31.5221 36.1973 7.23123 -40.6699 -31.522 -40.6698 -25.7465 GPRESSAVG: 3409200 71.3673 36.3964 -31.7348 35.6102 6.41398 -40.8002 -32.0575 -40.3971 -25.1041 TIMING: 3409200 CPU: 10195.4, 0.0030034/step Wall: 10195.4, 0.0030034/step, 1.32717 hours remaining, 207.734375 MB of memory in use. ENERGY: 3409200 747.4872 2097.6198 1924.7286 115.5963 -205999.8799 17547.0005 0.0000 0.0000 34341.7100 -149225.7376 299.9147 -183567.4476 -149126.1123 299.1462 -232.7127 -200.8788 559372.9348 17.5445 17.5590 PRESSURE: 3409400 -65.4935 -96.9878 162.957 -96.9877 -71.6295 104.43 162.957 104.429 -208.529 GPRESSURE: 3409400 21.0627 -181.191 170.911 -111.067 -77.7951 46.6459 193.297 203.198 -190.802 PRESSAVG: 3409400 60.0687 -57.6278 12.0773 -57.6278 3.10852 -51.5346 12.0773 -51.5345 -48.4041 GPRESSAVG: 3409400 60.6362 -56.6404 12.0056 -58.4549 2.54733 -50.8994 14.1943 -52.2478 -48.628 TIMING: 3409400 CPU: 10196, 0.00303472/step Wall: 10196, 0.00303472/step, 1.34084 hours remaining, 207.734375 MB of memory in use. ENERGY: 3409400 770.2281 2093.6971 1958.0273 136.3022 -206176.9820 17895.9244 0.0000 0.0000 34132.6170 -149190.1859 298.0886 -183322.8029 -149096.6540 298.6850 -115.2172 -82.5116 559038.3087 4.9244 4.8518 PRESSURE: 3409600 63.0832 -122.588 -0.213703 -122.588 -134.805 -25.7088 -0.215359 -25.7089 -242.591 GPRESSURE: 3409600 134.531 -170.437 30.8912 -116.996 -167.188 51.621 54.8339 -81.6542 -193.899 PRESSAVG: 3409600 58.3647 28.2625 8.00197 28.2625 -45.3024 -35.5402 8.00188 -35.5403 -19.5807 GPRESSAVG: 3409600 57.5878 29.4851 8.83331 28.2382 -44.7648 -34.8204 6.53711 -35.1558 -19.7594 TIMING: 3409600 CPU: 10196.6, 0.00301712/step Wall: 10196.6, 0.00301712/step, 1.33289 hours remaining, 207.734375 MB of memory in use. ENERGY: 3409600 740.4698 2014.7547 1946.0453 91.6022 -206003.0786 17699.7170 0.0000 0.0000 34381.0782 -149129.4114 300.2585 -183510.4895 -149026.2346 299.6194 -104.7709 -75.5186 557964.8113 -2.1728 -2.3121 PRESSURE: 3409800 -290.423 3.32339 -14.4444 3.32467 -70.6696 -158.801 -14.4466 -158.803 85.5552 GPRESSURE: 3409800 -174.144 61.051 -25.1852 0.916853 -129.235 -164.908 27.4204 -92.0168 132.972 PRESSAVG: 3409800 10.2464 0.518435 -14.4586 0.518433 -10.757 -55.0211 -14.4587 -55.0211 -1.37907 GPRESSAVG: 3409800 9.23355 0.963045 -13.78 0.650185 -9.28642 -56.1976 -12.9826 -54.8837 -1.97967 TIMING: 3409800 CPU: 10197.2, 0.00301842/step Wall: 10197.2, 0.00301842/step, 1.3333 hours remaining, 207.734375 MB of memory in use. ENERGY: 3409800 752.2489 2082.3625 1959.1173 112.6371 -206037.1859 17820.9887 0.0000 0.0000 34343.3589 -148966.4724 299.9291 -183309.8313 -148866.3898 299.5690 -91.8459 -56.8022 558972.0465 -0.6299 -0.6775 PRESSURE: 3410000 -203.701 130.796 -20.9404 130.794 -128.85 51.7652 -20.9391 51.7643 -216.916 GPRESSURE: 3410000 -215.816 85.4129 -50.8786 85.0047 -123.353 64.9633 13.2425 123.728 -104.867 PRESSAVG: 3410000 -39.6947 1.95018 -61.1303 1.95022 38.306 -1.31222 -61.1302 -1.31206 -4.43985 GPRESSAVG: 3410000 -37.9379 1.38752 -62.9217 0.982943 36.7427 -2.5381 -61.9897 -0.450655 -3.89589 TIMING: 3410000 CPU: 10197.8, 0.00304894/step Wall: 10197.8, 0.00304894/step, 1.34661 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: 3410000 728.7648 2125.9420 1960.0824 115.0552 -205961.9220 17547.0728 0.0000 0.0000 34368.9599 -149116.0448 300.1527 -183485.0047 -149012.3449 300.7353 -183.1558 -148.0118 556935.0760 -1.9429 -1.6970 PRESSURE: 3410200 -218.78 -68.4459 -43.5805 -68.4467 -93.4935 -10.8367 -43.5787 -10.8366 -60.5526 GPRESSURE: 3410200 -204.16 -46.773 4.27594 -23.2527 -96.4785 70.5624 -79.196 0.29949 20.6135 PRESSAVG: 3410200 -37.6587 -2.13912 -21.0439 -2.13913 20.6791 5.49903 -21.0439 5.49896 43.4204 GPRESSAVG: 3410200 -38.9629 -4.74926 -20.224 -0.529709 20.8708 8.45603 -20.1166 3.76154 44.374 TIMING: 3410200 CPU: 10198.5, 0.00304516/step Wall: 10198.5, 0.00304516/step, 1.34478 hours remaining, 207.734375 MB of memory in use. ENERGY: 3410200 750.3773 2014.7376 1915.0805 113.3285 -206113.3800 17813.1299 0.0000 0.0000 34345.3086 -149161.4176 299.9461 -183506.7262 -149067.7786 299.7096 -124.2754 -93.3417 558876.7164 8.8136 8.7606 PRESSURE: 3410400 74.411 92.251 -109.302 92.252 -64.7009 28.8561 -109.303 28.8561 232.201 GPRESSURE: 3410400 152.574 73.3833 -128.664 96.9497 -28.033 13.5577 -36.133 26.1788 207.715 PRESSAVG: 3410400 12.1426 -19.3953 -35.0024 -19.3953 -52.5259 54.3589 -35.0024 54.3589 28.9502 GPRESSAVG: 3410400 12.4998 -17.6109 -33.086 -19.2758 -51.0116 51.6602 -34.4718 55.3051 27.018 TIMING: 3410400 CPU: 10199.1, 0.00301348/step Wall: 10199.1, 0.00301348/step, 1.33062 hours remaining, 207.734375 MB of memory in use. ENERGY: 3410400 697.9082 2120.6610 1949.4364 115.7203 -206124.0657 17821.3496 0.0000 0.0000 34343.3932 -149075.5970 299.9294 -183418.9903 -148978.7329 299.3979 80.6372 110.7520 558811.0929 -3.8110 -3.8313 PRESSURE: 3410600 107.808 -110.539 107.457 -110.538 -435.244 -88.3206 107.456 -88.3199 -3.13928 GPRESSURE: 3410600 70.9882 -129.814 82.6272 -9.42619 -353.073 -76.2012 119.249 -120.979 46.2354 PRESSAVG: 3410600 14.4087 -15.8802 9.38362 -15.8804 -77.8163 -15.918 9.38372 -15.918 54.3881 GPRESSAVG: 3410600 13.2665 -15.7524 7.80966 -15.0282 -77.9482 -17.7316 9.16649 -16.5822 56.3333 TIMING: 3410600 CPU: 10199.7, 0.00302369/step Wall: 10199.7, 0.00302369/step, 1.33496 hours remaining, 207.734375 MB of memory in use. ENERGY: 3410600 725.0187 2066.5503 1942.6799 114.7664 -205894.2114 17791.1149 0.0000 0.0000 34207.3837 -149046.6974 298.7416 -183254.0811 -148954.4253 299.5719 -110.1916 -78.6164 559179.0236 -3.0065 -2.7828 PRESSURE: 3410800 110.559 79.1578 125.608 79.1587 66.6815 -77.5577 125.607 -77.5561 391.945 GPRESSURE: 3410800 134.383 86.1956 86.6609 133.524 123.682 -35.4922 163.608 -97.9756 411.081 PRESSAVG: 3410800 94.8865 -78.2639 61.4541 -78.2638 -82.4592 -6.2487 61.4542 -6.2487 13.0578 GPRESSAVG: 3410800 95.0743 -77.1332 62.0016 -78.2266 -82.1923 -3.08138 61.4535 -5.74741 12.6729 TIMING: 3410800 CPU: 10200.3, 0.00302698/step Wall: 10200.3, 0.00302698/step, 1.33624 hours remaining, 207.734375 MB of memory in use. ENERGY: 3410800 747.2504 2141.4214 1923.5157 109.4331 -206479.5905 18157.4319 0.0000 0.0000 34349.2459 -149051.2921 299.9805 -183400.5380 -148957.4280 299.7528 189.7283 223.0489 557543.0930 8.4950 8.5183 PRESSURE: 3411000 -154.9 170.387 -82.6246 170.388 -45.9796 155.46 -82.6251 155.458 15.2418 GPRESSURE: 3411000 -124.333 212.72 10.1974 81.0368 -35.9857 -2.22082 -115.273 175.253 91.7608 PRESSAVG: 3411000 49.421 -33.4251 3.54075 -33.425 -40.0704 6.88538 3.54073 6.8854 -28.2117 GPRESSAVG: 3411000 50.6542 -36.2543 2.42049 -33.7669 -39.4241 5.76962 2.95052 6.33452 -29.666 TIMING: 3411000 CPU: 10200.9, 0.00302901/step Wall: 10200.9, 0.00302901/step, 1.33697 hours remaining, 207.734375 MB of memory in use. ENERGY: 3411000 770.3947 2089.0596 1939.8852 114.0762 -205812.3627 17835.8454 0.0000 0.0000 33961.2227 -149101.8789 296.5918 -183063.1016 -149000.9079 299.2683 -61.8792 -22.8525 557997.1153 -6.2870 -6.1453 PRESSURE: 3411200 -131.506 109.073 -27.7402 109.073 -237.794 87.1686 -27.7395 87.1684 -355.089 GPRESSURE: 3411200 -67.6331 119.542 11.0156 95.4238 -244.235 61.0143 -54.6459 121.189 -317.847 PRESSAVG: 3411200 -21.9683 42.6042 43.9593 42.6043 -13.668 15.639 43.9593 15.639 13.1378 GPRESSAVG: 3411200 -22.4834 44.5286 44.1813 41.8067 -13.3364 15.1865 45.3108 18.2262 13.456 TIMING: 3411200 CPU: 10201.5, 0.00304075/step Wall: 10201.5, 0.00304075/step, 1.34198 hours remaining, 207.734375 MB of memory in use. ENERGY: 3411200 762.1155 2107.6007 1947.2495 115.8838 -206191.2922 17633.2366 0.0000 0.0000 34249.8537 -149375.3525 299.1125 -183625.2061 -149283.5076 298.5335 -241.4631 -209.9050 559207.0594 -7.4995 -7.4546 PRESSURE: 3411400 -288.262 -156.793 -98.4903 -156.792 144.491 49.4558 -98.4895 49.4548 -117.945 GPRESSURE: 3411400 -221.919 -250.688 -134.673 -59.045 190.096 29.9416 -51.9034 163.657 -139.835 PRESSAVG: 3411400 19.8256 -18.2755 7.72827 -18.2754 29.8384 -11.2832 7.72833 -11.2832 -63.9599 GPRESSAVG: 3411400 19.9093 -19.8095 8.15783 -16.4175 30.7659 -10.9851 7.22761 -14.5648 -65.159 TIMING: 3411400 CPU: 10202.1, 0.00302728/step Wall: 10202.1, 0.00302728/step, 1.33587 hours remaining, 207.734375 MB of memory in use. ENERGY: 3411400 754.0652 2119.2271 1943.2836 107.7021 -205919.5001 17768.1917 0.0000 0.0000 34071.8550 -149155.1755 297.5580 -183227.0305 -149064.5422 299.4535 -87.2388 -57.2193 558926.0175 -4.7653 -4.8279 PRESSURE: 3411600 -135.544 -126.553 170.105 -126.552 -226.35 -30.0284 170.106 -30.0296 -206.517 GPRESSURE: 3411600 -72.7416 -85.9983 210.543 -195.327 -234.1 -80.3805 133.89 14.5756 -174.031 PRESSAVG: 3411600 -36.7145 -30.4364 21.1293 -30.4363 30.8249 -13.5435 21.1292 -13.5436 -5.42695 GPRESSAVG: 3411600 -37.207 -29.8282 23.1417 -32.8707 28.8251 -13.1022 18.9788 -12.7721 -3.066 TIMING: 3411600 CPU: 10202.7, 0.00303474/step Wall: 10202.7, 0.00303474/step, 1.33899 hours remaining, 207.734375 MB of memory in use. ENERGY: 3411600 765.9070 2109.6040 1965.2834 118.1909 -205977.2867 17543.6377 0.0000 0.0000 34084.6788 -149389.9850 297.6700 -183474.6638 -149287.5127 298.7975 -189.4704 -160.2907 559162.3602 -3.7722 -3.8160 PRESSURE: 3411800 -99.244 -88.6867 224.086 -88.6863 9.80852 6.23596 224.088 6.23508 302.539 GPRESSURE: 3411800 -55.4258 -87.0865 194.837 -41.3157 69.7192 -28.9031 291.078 50.9088 295.092 PRESSAVG: 3411800 37.0093 -2.45518 2.3091 -2.45514 -37.7363 -0.267319 2.30918 -0.267397 17.3899 GPRESSAVG: 3411800 37.9629 -2.88843 0.239139 -1.5604 -37.6538 -0.810668 5.41453 -0.316983 16.5676 TIMING: 3411800 CPU: 10203.3, 0.00300053/step Wall: 10203.3, 0.00300053/step, 1.32373 hours remaining, 207.734375 MB of memory in use. ENERGY: 3411800 739.6201 2099.8950 1924.1590 114.7989 -206299.9968 18001.7633 0.0000 0.0000 34054.6662 -149365.0942 297.4079 -183419.7605 -149272.1439 298.1441 71.0346 103.1286 558449.3445 5.5543 5.6256 PRESSURE: 3412000 82.1928 42.3701 -42.8621 42.3698 91.8923 -67.2001 -42.8621 -67.1998 292.103 GPRESSURE: 3412000 124.795 157.815 -67.5771 139.595 96.3142 -85.4104 -131.631 -119.709 349.424 PRESSAVG: 3412000 -65.0287 12.7025 10.0639 12.7024 50.1305 44.767 10.0638 44.767 -5.42935 GPRESSAVG: 3412000 -65.3194 13.1448 11.4131 12.3475 50.3104 44.5398 8.47176 44.2206 -5.32858 TIMING: 3412000 CPU: 10203.9, 0.00299741/step Wall: 10203.9, 0.00299741/step, 1.32219 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: 3412000 711.9306 2024.6890 1940.4808 137.1004 -206670.0380 18207.8469 0.0000 0.0000 34227.8792 -149420.1111 298.9206 -183647.9903 -149321.8863 298.0270 155.3961 190.1779 557786.2922 -6.7759 -6.7792 PRESSURE: 3412200 57.9309 19.4549 66.0318 19.4537 99.8208 -62.7752 66.0322 -62.7738 -46.3308 GPRESSURE: 3412200 82.7775 11.3652 121.038 12.0757 104.56 -98.3814 35.6003 -51.2937 16.2782 PRESSAVG: 3412200 7.77482 -36.6862 -40.0033 -36.6861 -9.69687 -10.3434 -40.0032 -10.3433 7.84446 GPRESSAVG: 3412200 7.27731 -36.4066 -41.8962 -36.1903 -9.41894 -10.1617 -39.8208 -9.63479 8.46193 TIMING: 3412200 CPU: 10204.5, 0.00301509/step Wall: 10204.5, 0.00301509/step, 1.32982 hours remaining, 207.734375 MB of memory in use. ENERGY: 3412200 742.5083 2022.7228 1938.3781 108.6208 -206457.1142 17905.1202 0.0000 0.0000 34380.5171 -149359.2469 300.2536 -183739.7640 -149266.2435 298.9124 37.1403 67.8719 558120.9736 1.9741 2.1068 LDB: ============= START OF LOAD BALANCING ============== 10207.9 LDB: ============== END OF LOAD BALANCING =============== 10207.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10207.9 LDB: ============= START OF LOAD BALANCING ============== 10208.2 LDB: Largest compute 4819 load 0.025887 is 21.9% of average load 0.118078 LDB: Average compute 0.001727 is 1.5% of average load 0.118078 LDB: TIME 10208.2 LOAD: AVG 0.118078 MAX 0.208269 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.535 MB LDB: TIME 10208.2 LOAD: AVG 0.118078 MAX 0.208269 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.535 MB LDB: TIME 10208.2 LOAD: AVG 0.118078 MAX 0.208269 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10208.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10208.2 PRESSURE: 3412400 81.6257 -7.48626 -16.7203 -7.48528 -267.081 -48.1116 -16.7207 -48.1111 7.12066 GPRESSURE: 3412400 107.931 -96.8502 -101.282 65.0863 -170.317 -0.31495 49.0028 -117.305 -22.1473 PRESSAVG: 3412400 37.5466 20.8085 -65.0375 20.8085 -40.0243 15.5707 -65.0375 15.5708 56.9112 GPRESSAVG: 3412400 37.1468 20.6882 -63.1361 21.5908 -39.8866 15.771 -64.465 15.4861 57.1557 TIMING: 3412400 CPU: 10205.1, 0.00307153/step Wall: 10205.1, 0.00307153/step, 1.35454 hours remaining, 206.769531 MB of memory in use. ENERGY: 3412400 726.1134 2077.4183 1916.3269 116.0355 -206246.6649 17892.1377 0.0000 0.0000 34045.4652 -149473.1677 297.3275 -183518.6329 -149383.7788 299.1256 -59.4450 -28.1778 558405.8402 18.1445 18.1387 PRESSURE: 3412600 -136.12 96.4252 -70.5703 96.4267 189.353 36.1647 -70.5706 36.1637 -63.2054 GPRESSURE: 3412600 -81.9302 72.2525 -71.2857 92.5863 236.094 -47.9284 -89.4556 82.551 -71.4464 PRESSAVG: 3412600 44.9817 6.93135 -43.3748 6.93135 4.85356 30.0339 -43.3748 30.0339 -34.9494 GPRESSAVG: 3412600 46.0917 6.96688 -44.1286 6.91193 4.59576 29.7759 -43.0328 31.6566 -35.8729 TIMING: 3412600 CPU: 10205.7, 0.00304874/step Wall: 10205.7, 0.00304874/step, 1.34432 hours remaining, 206.769531 MB of memory in use. ENERGY: 3412600 738.4262 2102.3880 1927.3782 111.2243 -206058.7353 17875.8849 0.0000 0.0000 33926.7780 -149376.6556 296.2910 -183303.4336 -149282.6037 298.6264 -3.3241 27.5726 558754.0890 4.9619 4.9382 PRESSURE: 3412800 -123.579 140.327 -95.1078 140.328 -150.897 -78.1787 -95.1069 -78.1795 95.3255 GPRESSURE: 3412800 -139.221 84.8437 -56.8663 85.4562 -67.4599 -80.8004 -123.646 -95.0952 133.834 PRESSAVG: 3412800 25.5185 29.5617 -63.1151 29.5616 6.77944 47.754 -63.1152 47.7539 4.09993 GPRESSAVG: 3412800 24.769 30.2586 -62.0652 28.1445 8.61888 48.8901 -64.6351 46.1693 3.44713 TIMING: 3412800 CPU: 10206.3, 0.00301666/step Wall: 10206.3, 0.00301666/step, 1.33001 hours remaining, 206.769531 MB of memory in use. ENERGY: 3412800 761.5731 2144.1917 1924.9110 109.9925 -205852.4011 17626.9553 0.0000 0.0000 34259.5839 -149025.1937 299.1975 -183284.7775 -148941.9033 299.7759 -59.7168 -24.2823 558002.8826 12.1326 12.2783 PRESSURE: 3413000 4.40372 90.9085 -110.866 90.9072 -214.072 24.3069 -110.867 24.3075 -9.1157 GPRESSURE: 3413000 16.6853 52.9909 -94.1767 64.1299 -130.447 21.5612 -118.102 -42.2429 -10.8972 PRESSAVG: 3413000 28.123 3.17548 4.70133 3.1755 21.1118 1.01685 4.70129 1.01687 -51.2324 GPRESSAVG: 3413000 27.9514 3.44035 1.92763 4.06136 18.7058 -0.66047 6.61473 0.0377455 -49.2477 TIMING: 3413000 CPU: 10206.9, 0.00299128/step Wall: 10206.9, 0.00299128/step, 1.31865 hours remaining, 206.769531 MB of memory in use. ENERGY: 3413000 727.1232 2117.9922 1925.6354 106.7877 -205949.1009 17641.6654 0.0000 0.0000 34378.7048 -149051.1921 300.2378 -183429.8969 -148953.7451 299.1798 -72.9278 -41.5529 557300.0204 -0.6659 -0.8635 PRESSURE: 3413200 327.783 -3.50967 1.40495 -3.50919 -95.136 307.713 1.40278 307.713 44.701 GPRESSURE: 3413200 342.141 -26.9421 45.3062 -3.54971 -20.2754 358.051 27.1805 367.204 60.9913 PRESSAVG: 3413200 12.4644 -4.35356 -22.183 -4.35355 -35.8886 71.2512 -22.1831 71.2511 25.8966 GPRESSAVG: 3413200 11.9792 -4.99054 -20.5492 -7.16446 -36.0097 71.9936 -24.9416 71.625 25.9085 TIMING: 3413200 CPU: 10207.5, 0.0029936/step Wall: 10207.5, 0.0029936/step, 1.31951 hours remaining, 206.769531 MB of memory in use. ENERGY: 3413200 730.9582 2121.1531 1944.7228 106.6711 -206266.0718 17956.2286 0.0000 0.0000 34285.3530 -149120.9850 299.4225 -183406.3380 -149022.6650 299.5112 92.4493 127.6191 557869.4060 0.8242 0.6260 PRESSURE: 3413400 157.242 285.129 -109.962 285.128 -136.069 -120.344 -109.962 -120.344 282.417 GPRESSURE: 3413400 187.39 212.477 -57.7758 342.03 -78.5063 -165.249 -58.3046 -156.303 312.452 PRESSAVG: 3413400 38.7361 49.7629 -17.2211 49.7628 3.748 -0.400904 -17.2211 -0.400808 -9.70571 GPRESSAVG: 3413400 38.9934 49.4575 -16.5101 51.5902 3.5261 1.6135 -14.3735 -1.61554 -9.89739 TIMING: 3413400 CPU: 10208.1, 0.00301019/step Wall: 10208.1, 0.00301019/step, 1.32666 hours remaining, 206.769531 MB of memory in use. ENERGY: 3413400 771.6957 2097.5163 1935.4435 119.1958 -206565.1773 18211.5520 0.0000 0.0000 34076.7828 -149352.9913 297.6010 -183429.7741 -149256.3685 299.4972 101.1966 140.4454 556016.1724 10.9261 10.8740 PRESSURE: 3413600 98.5392 51.7479 127.019 51.7495 86.6057 -56.4974 127.02 -56.4971 -1.51874 GPRESSURE: 3413600 105.031 119.904 70.156 -15.5459 158.384 -54.3148 177.975 -52.283 19.4037 PRESSAVG: 3413600 29.7367 27.5684 35.3831 27.5685 -24.7051 39.2514 35.3832 39.2512 19.5135 GPRESSAVG: 3413600 30.702 27.3906 34.9275 27.869 -25.0164 39.5272 33.0622 39.417 19.0662 TIMING: 3413600 CPU: 10208.7, 0.00302201/step Wall: 10208.7, 0.00302201/step, 1.3317 hours remaining, 206.769531 MB of memory in use. ENERGY: 3413600 746.2673 2043.5129 1904.6502 123.8366 -206242.3363 17895.1069 0.0000 0.0000 34179.5467 -149349.4156 298.4985 -183528.9623 -149252.0138 299.5624 61.2087 94.2729 557150.9625 8.1817 8.2506 PRESSURE: 3413800 130.747 -221.083 -64.1993 -221.083 228.322 169.428 -64.2001 169.427 210.395 GPRESSURE: 3413800 152.159 -163.106 -27.493 -89.9647 291.829 103.737 -63.2281 143.458 223.937 PRESSAVG: 3413800 21.2763 16.4318 2.1489 16.4319 -17.5012 41.7848 2.14878 41.7847 -2.55067 GPRESSAVG: 3413800 21.353 18.2554 1.29662 17.8108 -17.6048 40.8119 2.60865 44.0951 -2.32275 TIMING: 3413800 CPU: 10209.3, 0.00300067/step Wall: 10209.3, 0.00300067/step, 1.32213 hours remaining, 206.769531 MB of memory in use. ENERGY: 3413800 749.1196 2109.2814 1938.1392 118.9575 -206667.9733 18191.7562 0.0000 0.0000 34353.3455 -149207.3740 300.0163 -183560.7194 -149110.7477 298.2353 189.8212 222.6416 556241.8107 0.4081 0.4751 PRESSURE: 3414000 150.817 70.8167 103.106 70.8157 183.646 28.4279 103.106 28.4284 -36.5575 GPRESSURE: 3414000 141.399 96.6551 76.1512 106.382 163.176 22.8453 16.7507 67.6556 88.7216 PRESSAVG: 3414000 8.44031 11.2205 -16.2876 11.2206 46.7101 71.5724 -16.2876 71.5723 -54.3166 GPRESSAVG: 3414000 8.47855 10.6224 -16.2342 10.8232 45.8913 70.849 -16.2198 70.7836 -53.7976 TIMING: 3414000 CPU: 10209.9, 0.00301253/step Wall: 10209.9, 0.00301253/step, 1.32719 hours remaining, 206.769531 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: 3414000 784.9227 2076.0884 1955.6908 111.8701 -206050.1188 17997.8475 0.0000 0.0000 34234.8886 -148888.8107 298.9818 -183123.6993 -148799.2378 299.7881 99.3020 131.0987 558284.1226 0.2779 0.1908 PRESSURE: 3414200 -149.081 -24.8397 144.839 -24.8399 -71.4156 -32.541 144.839 -32.5406 81.7976 GPRESSURE: 3414200 -110.977 64.5395 179.435 -37.8583 -34.1531 -43.795 149.974 -19.6925 107.604 PRESSAVG: 3414200 45.2154 -7.21858 11.3382 -7.21857 -9.03262 25.7194 11.3381 25.7194 -35.0828 GPRESSAVG: 3414200 43.6041 -7.60671 12.4404 -8.80948 -7.71352 25.8246 10.2624 24.4696 -34.3821 TIMING: 3414200 CPU: 10210.5, 0.00301251/step Wall: 10210.5, 0.00301251/step, 1.32701 hours remaining, 206.769531 MB of memory in use. ENERGY: 3414200 775.5826 2119.2785 1925.6286 117.7346 -206030.9639 17747.1097 0.0000 0.0000 34402.2745 -148943.3554 300.4436 -183345.6299 -148844.6992 300.2606 -46.2332 -12.5087 558115.4580 0.3667 0.5028 PRESSURE: 3414400 358.109 -98.4892 32.804 -98.4908 61.4969 41.6662 32.804 41.6677 237.358 GPRESSURE: 3414400 440.998 -143.24 101.21 -40.4783 -4.07106 -14.0195 -1.00693 104.126 310.865 PRESSAVG: 3414400 38.9197 3.81149 65.118 3.81143 -42.3904 -5.85604 65.1181 -5.85609 -2.32075 GPRESSAVG: 3414400 40.3832 1.95237 65.3468 6.28935 -43.0488 -5.64817 66.2462 -3.50508 -3.22067 TIMING: 3414400 CPU: 10211.1, 0.00301008/step Wall: 10211.1, 0.00301008/step, 1.32577 hours remaining, 206.769531 MB of memory in use. ENERGY: 3414400 796.6075 2114.3155 1944.3071 115.6128 -205967.0082 17956.7982 0.0000 0.0000 34164.9716 -148874.3955 298.3712 -183039.3671 -148782.2844 300.1700 218.9879 249.2639 555550.3050 -1.9305 -1.9621 PRESSURE: 3414600 -290.984 21.1665 8.83404 21.1666 -21.4463 60.2688 8.83314 60.2701 -218.362 GPRESSURE: 3414600 -243.847 -46.018 91.0338 -3.36857 18.8345 77.3038 -65.6502 94.4473 -215.882 PRESSAVG: 3414600 4.74449 10.5159 -43.1555 10.5159 -32.5796 15.9966 -43.1556 15.9966 53.534 GPRESSAVG: 3414600 4.00955 12.0251 -43.5401 9.95806 -33.0577 14.9092 -43.1551 15.135 54.1584 TIMING: 3414600 CPU: 10211.7, 0.00302938/step Wall: 10211.7, 0.00302938/step, 1.33411 hours remaining, 206.914062 MB of memory in use. ENERGY: 3414600 777.9157 2019.2857 1962.9865 108.5203 -205771.3479 17486.9633 0.0000 0.0000 34318.3823 -149097.2942 299.7110 -183415.6764 -149004.8109 299.9189 -176.9309 -146.9647 557409.1086 8.5663 8.3701 PRESSURE: 3414800 125.475 -105.042 112.655 -105.041 -65.3507 -50.6766 112.655 -50.6771 -180.268 GPRESSURE: 3414800 177.692 -104.194 96.7536 -110.996 -26.4717 -19.0661 90.9375 -76.2452 -182.185 PRESSAVG: 3414800 1.19177 13.9715 32.7463 13.9715 6.81869 -4.86038 32.7463 -4.86039 -2.71082 GPRESSAVG: 3414800 1.34413 14.0823 31.6342 13.9072 7.27123 -4.62595 33.43 -5.29505 -3.59333 TIMING: 3414800 CPU: 10212.3, 0.00301233/step Wall: 10212.3, 0.00301233/step, 1.32643 hours remaining, 206.914062 MB of memory in use. ENERGY: 3414800 741.3506 2079.2960 1975.8800 120.4115 -206108.5032 17796.3626 0.0000 0.0000 34451.8060 -148943.3964 300.8762 -183395.2024 -148840.0796 300.0767 -40.0479 -10.3215 557858.6915 1.7665 1.6740 PRESSURE: 3415000 -97.5423 37.4578 64.9662 37.4571 135.718 84.7127 64.967 84.7122 311.488 GPRESSURE: 3415000 -58.7232 -8.71929 73.7347 -34.9292 207.526 -2.6494 77.0405 160.66 310.737 PRESSAVG: 3415000 22.2147 -42.3905 1.75519 -42.3904 -26.4269 32.7537 1.75518 32.7538 2.73779 GPRESSAVG: 3415000 20.6088 -42.8446 3.70348 -42.451 -26.2611 33.0998 1.10972 33.4025 4.08633 TIMING: 3415000 CPU: 10212.9, 0.00301378/step Wall: 10212.9, 0.00301378/step, 1.3269 hours remaining, 206.914062 MB of memory in use. ENERGY: 3415000 749.5901 2134.5239 1942.9897 118.0519 -206097.0283 17981.1773 0.0000 0.0000 34298.9974 -148871.6978 299.5417 -183170.6952 -148768.7402 299.9932 116.5546 153.1800 557791.0280 -0.4915 -0.5220 PRESSURE: 3415200 14.7379 -56.33 26.0663 -56.3296 -133.887 23.8873 26.0664 23.8884 -79.012 GPRESSURE: 3415200 2.21927 -76.0239 -1.35012 85.9612 -70.1185 32.1861 3.01036 -66.4622 -41.7923 PRESSAVG: 3415200 -58.206 -3.53873 12.0808 -3.53879 3.00926 1.86827 12.0808 1.86831 81.9169 GPRESSAVG: 3415200 -56.7001 -4.03598 11.9997 -2.86535 2.35868 1.60982 11.1304 0.598933 80.5541 TIMING: 3415200 CPU: 10213.6, 0.00302398/step Wall: 10213.6, 0.00302398/step, 1.33122 hours remaining, 206.914062 MB of memory in use. ENERGY: 3415200 790.7932 2113.6114 1932.0872 119.9332 -205999.4246 17731.2166 0.0000 0.0000 34467.7918 -148843.9911 301.0158 -183311.7829 -148743.2175 300.1444 -66.0538 -36.5638 558198.1828 8.9067 8.7375 PRESSURE: 3415400 164.394 -111.089 62.5307 -111.089 171.831 -21.7349 62.5309 -21.7352 45.2644 GPRESSURE: 3415400 188.414 -167.016 70.6367 -83.9377 168.968 20.6734 61.1031 -63.844 121.16 PRESSAVG: 3415400 -29.6171 13.6622 -44.6046 13.6622 56.0295 41.6908 -44.6045 41.6908 -21.6166 GPRESSAVG: 3415400 -29.6711 12.6671 -45.9075 14.0477 55.9113 38.9333 -43.8801 41.077 -21.1458 TIMING: 3415400 CPU: 10214.2, 0.00303544/step Wall: 10214.2, 0.00303544/step, 1.3361 hours remaining, 206.914062 MB of memory in use. ENERGY: 3415400 694.3546 2104.6376 1950.8663 114.4049 -206322.4700 17784.0692 0.0000 0.0000 34728.2877 -148945.8497 303.2908 -183674.1374 -148842.5954 300.4211 127.1632 159.5140 556111.1625 1.5986 1.6981 PRESSURE: 3415600 -72.8131 136.717 46.6052 136.717 -234.272 -10.7768 46.6053 -10.7781 34.7555 GPRESSURE: 3415600 -52.3928 119.552 17.1534 99.2238 -113.895 -27.7782 21.5951 28.5486 -5.02755 PRESSAVG: 3415600 18.9635 29.0737 5.04231 29.0736 -31.9187 -23.3728 5.0423 -23.3728 15.022 GPRESSAVG: 3415600 18.358 31.9641 5.68153 28.21 -30.552 -20.2596 5.86082 -21.583 14.3704 TIMING: 3415600 CPU: 10214.8, 0.00302077/step Wall: 10214.8, 0.00302077/step, 1.32947 hours remaining, 206.984375 MB of memory in use. ENERGY: 3415600 767.9092 2097.2479 1977.6625 110.4450 -206190.9219 17812.1231 0.0000 0.0000 34445.1938 -148980.3403 300.8184 -183425.5341 -148883.8667 300.4388 -90.7765 -57.1050 558197.9822 0.6889 0.7255 PRESSURE: 3415800 357.972 43.6675 74.0376 43.6669 -10.6406 96.7821 74.0388 96.7816 217.787 GPRESSURE: 3415800 429.117 54.1538 59.3613 45.4283 23.0329 142.179 35.3476 62.3457 212.483 PRESSAVG: 3415800 23.1955 11.6506 23.8025 11.6506 -66.1244 -0.165648 23.8026 -0.165633 9.90999 GPRESSAVG: 3415800 23.2587 10.0184 21.9648 13.3928 -66.0046 -1.01775 23.5722 -1.02938 10.3593 TIMING: 3415800 CPU: 10215.4, 0.002998/step Wall: 10215.4, 0.002998/step, 1.31929 hours remaining, 206.984375 MB of memory in use. ENERGY: 3415800 750.3143 2106.8474 1940.6292 103.3142 -206198.1569 18029.9484 0.0000 0.0000 34226.5257 -149040.5778 298.9088 -183267.1034 -148949.4428 300.2961 188.3728 221.5440 557042.5009 -11.0063 -10.7956 PRESSURE: 3416000 -206.54 -83.9169 -113.973 -83.9171 -160.648 -63.5021 -113.974 -63.5037 -21.7888 GPRESSURE: 3416000 -144.966 17.8691 -69.9736 -108.074 -123.799 -201.337 -183.473 -1.27597 -12.8358 PRESSAVG: 3416000 -29.7796 -22.2846 1.23062 -22.2846 -44.0258 -36.4509 1.2306 -36.4508 28.2596 GPRESSAVG: 3416000 -29.667 -19.3557 3.13957 -26.1435 -43.7586 -37.6867 0.316106 -35.837 28.3418 TIMING: 3416000 CPU: 10216, 0.00299868/step Wall: 10216, 0.00299868/step, 1.31942 hours remaining, 206.984375 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: 3416000 723.9512 2088.7606 1943.2011 121.2320 -205521.7718 17436.5189 0.0000 0.0000 34254.8545 -148953.2536 299.1562 -183208.1081 -148861.5806 299.1296 -129.6591 -93.8667 558684.9657 -15.1819 -15.0279 PRESSURE: 3416200 122.767 -142.906 -15.7351 -142.906 211.444 68.1032 -15.7356 68.1017 86.996 GPRESSURE: 3416200 124.933 -111.963 -43.367 -192.991 229.499 27.0626 27.5479 60.921 157.601 PRESSAVG: 3416200 -29.247 -18.3895 21.8872 -18.3895 50.1518 -20.6134 21.8872 -20.6134 -22.7321 GPRESSAVG: 3416200 -28.7604 -19.4236 19.6457 -15.0247 49.5128 -19.4971 23.4324 -22.3562 -23.0596 TIMING: 3416200 CPU: 10216.6, 0.00299297/step Wall: 10216.6, 0.00299297/step, 1.31674 hours remaining, 206.984375 MB of memory in use. ENERGY: 3416200 749.9922 2127.2829 1936.1520 100.7131 -206349.7007 18039.7728 0.0000 0.0000 34478.0000 -148917.7877 301.1049 -183395.7877 -148820.3841 299.6241 140.4025 170.6778 557611.2196 -0.6091 -0.7691 LDB: ============= START OF LOAD BALANCING ============== 10220 LDB: ============== END OF LOAD BALANCING =============== 10220 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10220 LDB: ============= START OF LOAD BALANCING ============== 10220.3 LDB: Largest compute 4820 load 0.026716 is 22.6% of average load 0.118142 LDB: Average compute 0.001723 is 1.5% of average load 0.118142 LDB: TIME 10220.3 LOAD: AVG 0.118142 MAX 0.211139 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 10220.3 LOAD: AVG 0.118142 MAX 0.211139 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: TIME 10220.3 LOAD: AVG 0.118142 MAX 0.211139 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: ============== END OF LOAD BALANCING =============== 10220.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10220.3 PRESSURE: 3416400 -79.2499 18.2394 132.431 18.2403 -221.925 -24.0762 132.43 -24.0753 -130.638 GPRESSURE: 3416400 -78.9582 61.5482 133.693 -82.0396 -128.532 76.666 145.239 -60.0373 -121.89 PRESSAVG: 3416400 -25.3183 -0.66267 14.6885 -0.662691 46.1322 33.1208 14.6885 33.1208 3.73407 GPRESSAVG: 3416400 -25.9386 -3.40104 17.077 0.10861 46.5371 34.1967 13.4957 32.5775 4.05148 TIMING: 3416400 CPU: 10217.2, 0.00304028/step Wall: 10217.2, 0.00304028/step, 1.33739 hours remaining, 205.742188 MB of memory in use. ENERGY: 3416400 726.5584 2140.7542 1918.1358 114.1521 -205832.3172 17564.2420 0.0000 0.0000 34357.3930 -149011.0816 300.0517 -183368.4746 -148912.6260 300.0305 -143.9377 -109.7936 559302.1652 8.1826 8.2167 PRESSURE: 3416600 101.066 -71.3848 14.2799 -71.3849 -296.101 36.1215 14.28 36.1227 -4.80054 GPRESSURE: 3416600 143.418 -70.7394 -1.24551 18.4905 -238.075 -18.3136 99.1234 107.779 3.10706 PRESSAVG: 3416600 10.7944 10.9254 16.9437 10.9254 -19.0273 -22.4714 16.9437 -22.4712 -3.4415 GPRESSAVG: 3416600 11.636 12.3762 14.2068 8.813 -19.0688 -25.7901 17.177 -19.5028 -4.09893 TIMING: 3416600 CPU: 10217.8, 0.00300807/step Wall: 10217.8, 0.00300807/step, 1.32305 hours remaining, 205.742188 MB of memory in use. ENERGY: 3416600 710.2826 2085.7365 1950.8039 109.7269 -205866.3724 17635.9593 0.0000 0.0000 34355.4356 -149018.4275 300.0346 -183373.8631 -148923.0575 299.0174 -66.6121 -30.5168 558163.3483 -3.8915 -3.8439 PRESSURE: 3416800 -38.9875 -65.0775 -68.7547 -65.0763 -164.447 67.1974 -68.7549 67.1974 -249.034 GPRESSURE: 3416800 23.1089 -15.6759 29.1682 -99.1339 -157.496 107.977 -57.7395 63.3848 -224.902 PRESSAVG: 3416800 0.429226 -7.8848 36.5001 -7.88482 -44.5632 2.08544 36.4999 2.08523 30.8956 GPRESSAVG: 3416800 -0.858819 -7.70845 38.0002 -5.85557 -44.7207 6.10572 37.5845 -0.152217 32.2454 TIMING: 3416800 CPU: 10218.4, 0.0030157/step Wall: 10218.4, 0.0030157/step, 1.32624 hours remaining, 205.742188 MB of memory in use. ENERGY: 3416800 766.6819 2098.7211 1941.9022 113.1341 -205806.4680 17692.6376 0.0000 0.0000 34223.4350 -148969.9561 298.8818 -183193.3911 -148865.3378 299.6307 -150.8228 -119.7632 558623.0135 -4.4128 -4.4447 PRESSURE: 3417000 -38.0281 1.73304 132.05 1.73264 -76.107 60.3216 132.052 60.3206 -200.332 GPRESSURE: 3417000 16.3094 -13.1184 191.052 -9.28466 -43.414 73.5238 28.3083 -3.62889 -182.16 PRESSAVG: 3417000 -6.00233 35.9022 19.2324 35.9022 50.5647 -3.50716 19.2323 -3.5072 -46.6942 GPRESSAVG: 3417000 -4.47098 35.9869 18.8809 34.8726 49.4215 -4.30932 18.6066 -3.11772 -47.4948 TIMING: 3417000 CPU: 10219, 0.00301164/step Wall: 10219, 0.00301164/step, 1.32429 hours remaining, 205.742188 MB of memory in use. ENERGY: 3417000 713.6964 2097.5127 1901.5194 101.8057 -205719.4068 17480.9980 0.0000 0.0000 34411.2999 -149012.5746 300.5224 -183423.8745 -148914.7970 299.7164 -104.8223 -69.7550 557534.3677 -0.7106 -0.8481 PRESSURE: 3417200 61.0886 -3.11313 11.7954 -3.11497 38.2253 25.7823 11.7931 25.7825 -54.1182 GPRESSURE: 3417200 56.418 56.7337 10.4712 -42.3011 112.051 97.144 16.5311 -12.3688 -23.4664 PRESSAVG: 3417200 -35.2201 -14.4435 13.7449 -14.4436 45.6029 29.9376 13.7449 29.9375 19.6667 GPRESSAVG: 3417200 -36.5064 -13.5921 13.4392 -14.3188 45.7163 30.2119 14.8859 30.0228 20.4394 TIMING: 3417200 CPU: 10219.6, 0.00302021/step Wall: 10219.6, 0.00302021/step, 1.32789 hours remaining, 205.742188 MB of memory in use. ENERGY: 3417200 734.3407 2047.5580 1953.1374 111.5609 -206132.2946 17877.9605 0.0000 0.0000 34379.3027 -149028.4344 300.2430 -183407.7371 -148936.5418 300.4017 15.0652 48.3343 556664.9685 10.0165 9.8831 PRESSURE: 3417400 -225.323 205.17 26.9264 205.17 303.003 197.048 26.926 197.048 -195.675 GPRESSURE: 3417400 -172.162 203.294 17.9573 171.279 297.047 186.328 93.3548 244.273 -142.053 PRESSAVG: 3417400 -47.5148 29.3979 -1.40451 29.3979 -9.46524 37.0816 -1.40442 37.0815 47.36 GPRESSAVG: 3417400 -48.1275 30.3445 -0.0741655 30.118 -8.77459 37.1735 -1.34102 37.7562 47.2141 TIMING: 3417400 CPU: 10220.2, 0.00300362/step Wall: 10220.2, 0.00300362/step, 1.32042 hours remaining, 205.742188 MB of memory in use. ENERGY: 3417400 738.8318 2082.0286 1942.6087 110.4255 -206078.2878 17721.6821 0.0000 0.0000 34525.3918 -148957.3192 301.5188 -183482.7110 -148858.4716 300.4214 -39.3317 -5.7228 556866.9882 -3.2067 -3.2293 PRESSURE: 3417600 13.0603 -115.208 -139.414 -115.208 -57.0397 -7.73894 -139.414 -7.73906 -151.076 GPRESSURE: 3417600 17.5476 -122.717 -93.8173 -115.139 -19.9408 -17.5656 -235.984 -52.0984 -98.9304 PRESSAVG: 3417600 26.8302 -25.0033 -4.11449 -25.0033 -51.6643 42.222 -4.11443 42.222 -19.4696 GPRESSAVG: 3417600 28.2367 -25.4445 -5.74121 -24.033 -51.5167 41.7175 -7.10842 41.6369 -21.1556 TIMING: 3417600 CPU: 10220.8, 0.0030304/step Wall: 10220.8, 0.0030304/step, 1.33203 hours remaining, 205.742188 MB of memory in use. ENERGY: 3417600 706.2221 2114.8428 1936.4208 101.5281 -206090.5546 17708.2225 0.0000 0.0000 34513.6783 -149009.6401 301.4165 -183523.3184 -148915.3938 300.4740 -65.0185 -33.7745 557090.0758 -14.7679 -14.8119 PRESSURE: 3417800 -78.2331 -40.0247 115.227 -40.0262 -48.7422 104.1 115.226 104.1 -150.499 GPRESSURE: 3417800 -64.9426 -25.6876 89.9198 -94.4808 5.76803 26.6335 106.542 167.261 -122.552 PRESSAVG: 3417800 -58.4992 -15.8516 -69.3927 -15.8516 40.8573 22.7629 -69.3926 22.7629 -23.5477 GPRESSAVG: 3417800 -59.1887 -14.239 -67.6135 -19.3249 40.1602 22.334 -71.1556 22.7539 -22.6724 TIMING: 3417800 CPU: 10221.4, 0.00303309/step Wall: 10221.4, 0.00303309/step, 1.33304 hours remaining, 205.742188 MB of memory in use. ENERGY: 3417800 774.9960 2085.7729 1968.0025 116.0684 -205872.1037 17466.7416 0.0000 0.0000 34293.7088 -149166.8134 299.4955 -183460.5222 -149078.6686 300.0000 -92.4915 -60.5754 556163.4338 -13.7298 -13.9003 PRESSURE: 3418000 -72.3703 70.0962 32.6392 70.0956 -142.156 11.6336 32.639 11.6358 385.856 GPRESSURE: 3418000 13.7224 131.293 -3.56366 104.498 -116.349 30.6476 132.933 42.8324 369.561 PRESSAVG: 3418000 67.0555 35.0913 -5.44061 35.0913 -24.2706 6.70716 -5.44057 6.70718 5.7222 GPRESSAVG: 3418000 66.9413 34.7021 -4.29636 35.6433 -24.5123 5.97122 -2.2277 9.46706 6.36085 TIMING: 3418000 CPU: 10222, 0.00300291/step Wall: 10222, 0.00300291/step, 1.31961 hours remaining, 205.742188 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: 3418000 751.8700 2105.8420 1930.1956 110.1216 -206315.0481 17886.3335 0.0000 0.0000 34472.5787 -149058.1068 301.0576 -183530.6854 -148954.0553 300.4893 57.1099 88.9781 557439.0575 16.1690 16.2633 PRESSURE: 3418200 33.9457 -63.2885 141.644 -63.2869 173.059 34.8258 141.645 34.8261 82.973 GPRESSURE: 3418200 85.5884 -98.6448 93.7545 -4.29609 256.254 36.1512 109.454 9.94591 64.2754 PRESSAVG: 3418200 -51.3632 53.0235 -59.275 53.0236 9.79105 38.5507 -59.2749 38.5506 47.5639 GPRESSAVG: 3418200 -50.8531 49.9965 -61.5012 54.8253 11.1382 38.8395 -62.2079 39.3985 46.0749 TIMING: 3418200 CPU: 10222.6, 0.00302297/step Wall: 10222.6, 0.00302297/step, 1.32826 hours remaining, 205.742188 MB of memory in use. ENERGY: 3418200 728.8294 2087.1776 1955.7900 107.9464 -206345.5343 17862.0799 0.0000 0.0000 34283.2206 -149320.4905 299.4039 -183603.7111 -149227.7671 300.1595 96.6593 135.3727 556610.1580 1.9973 2.1200 PRESSURE: 3418400 -216.63 73.1233 -149.672 73.1235 -152.25 57.7095 -149.673 57.7107 91.0207 GPRESSURE: 3418400 -188.372 -37.0812 -247.097 171.896 -75.2463 32.711 -68.4048 107.25 83.9285 PRESSAVG: 3418400 -21.2596 21.6122 4.08571 21.6122 59.8051 -60.3279 4.08577 -60.3279 -36.4827 GPRESSAVG: 3418400 -22.2843 22.5057 3.53816 22.2805 60.5167 -59.1493 6.35809 -62.0018 -35.7252 TIMING: 3418400 CPU: 10223.2, 0.00302899/step Wall: 10223.2, 0.00302899/step, 1.33074 hours remaining, 205.742188 MB of memory in use. ENERGY: 3418400 773.7023 2073.8492 1946.2485 122.6100 -206207.8490 17743.4839 0.0000 0.0000 34155.7157 -149392.2394 298.2904 -183547.9551 -149292.9426 298.6530 -92.6196 -59.8965 557227.4061 0.6876 0.8357 PRESSURE: 3418600 -246.842 -114.538 189.423 -114.539 -148.45 -54.7217 189.422 -54.7231 -275.706 GPRESSURE: 3418600 -170.835 -164.116 116.46 -157.222 -138.137 -80.807 174.897 8.06243 -270.353 PRESSAVG: 3418600 0.891 4.03828 19.6356 4.03822 -8.27926 4.12496 19.6355 4.12499 6.24834 GPRESSAVG: 3418600 2.21346 3.61436 19.5788 2.66632 -9.02678 1.43722 17.4555 5.36426 5.50507 TIMING: 3418600 CPU: 10223.8, 0.00301882/step Wall: 10223.8, 0.00301882/step, 1.3261 hours remaining, 205.742188 MB of memory in use. ENERGY: 3418600 776.8569 2052.8483 1927.9094 107.0695 -206092.5729 17522.8618 0.0000 0.0000 34291.7117 -149413.3154 299.4780 -183705.0270 -149323.9706 298.6700 -223.6661 -193.1082 558428.2503 -0.3800 -0.4361 PRESSURE: 3418800 151.649 -32.1235 -22.3244 -32.1228 -20.4493 11.4512 -22.3248 11.4502 221.715 GPRESSURE: 3418800 214.003 -1.71566 56.4309 -99.9743 4.21301 26.6832 9.77935 86.0886 229.215 PRESSAVG: 3418800 11.0946 14.9638 40.0562 14.9638 -7.27754 -54.2856 40.0563 -54.2855 -8.32042 GPRESSAVG: 3418800 10.7747 15.3629 42.0354 14.0501 -6.97972 -51.2453 41.2915 -56.2916 -8.38049 TIMING: 3418800 CPU: 10224.4, 0.00301561/step Wall: 10224.4, 0.00301561/step, 1.32452 hours remaining, 206.000000 MB of memory in use. ENERGY: 3418800 797.4719 2066.8561 1938.9260 114.8015 -206528.7186 18024.7434 0.0000 0.0000 34167.4433 -149418.4765 298.3928 -183585.9198 -149322.0850 298.8541 117.6382 149.1435 558126.0057 -1.5011 -1.5285 PRESSURE: 3419000 -34.0113 -74.6738 52.4953 -74.6734 -128.103 115.736 52.495 115.735 6.7138 GPRESSURE: 3419000 -15.1871 -28.6538 9.06103 -30.0463 -67.9028 115.125 22.7946 93.2529 25.1931 PRESSAVG: 3419000 67.8815 -35.7481 -19.7757 -35.7481 0.9152 -1.26761 -19.7756 -1.26757 -57.8196 GPRESSAVG: 3419000 67.6507 -35.2312 -21.8781 -35.7006 0.259402 -0.71611 -19.6512 0.488409 -56.9248 TIMING: 3419000 CPU: 10225, 0.00301289/step Wall: 10225, 0.00301289/step, 1.32316 hours remaining, 206.000000 MB of memory in use. ENERGY: 3419000 752.7773 2087.8442 1942.7555 112.5415 -206186.7436 17909.0859 0.0000 0.0000 34053.8710 -149327.8682 297.4009 -183381.7392 -149239.7789 298.5424 -51.8001 -19.2989 557855.7501 3.6590 3.6618 PRESSURE: 3419200 165.771 -53.7947 -22.8744 -53.7939 -180.005 -117.013 -22.874 -117.013 11.1622 GPRESSURE: 3419200 157.662 -1.37085 -19.9873 -6.90576 -166.948 -125.754 88.989 -117.28 100.931 PRESSAVG: 3419200 -0.792128 -36.6906 -31.5149 -36.6905 4.70232 -76.2536 -31.515 -76.2537 46.0885 GPRESSAVG: 3419200 -0.351128 -37.5147 -30.0725 -34.4095 4.01232 -76.6234 -30.3853 -77.7103 45.7013 TIMING: 3419200 CPU: 10225.6, 0.00300353/step Wall: 10225.6, 0.00300353/step, 1.31888 hours remaining, 206.000000 MB of memory in use. ENERGY: 3419200 741.0417 2065.3611 1947.1529 115.7283 -206092.8209 17786.3879 0.0000 0.0000 34179.3687 -149257.7801 298.4969 -183437.1489 -149160.5679 299.8003 -1.0239 30.5481 559025.7190 16.6662 16.4542 PRESSURE: 3419400 -55.3523 -1.54111 18.9441 -1.54024 100.852 -50.0633 18.9445 -50.0619 128.864 GPRESSURE: 3419400 -6.61143 -77.0603 -24.5165 -9.54116 132.054 -25.9341 -78.2401 3.94237 147.131 PRESSAVG: 3419400 27.7956 13.7076 -40.5189 13.7076 -7.28341 18.6561 -40.5189 18.6563 -10.7114 GPRESSAVG: 3419400 27.0609 13.5726 -39.5737 13.0787 -6.49856 18.9601 -41.3454 18.031 -10.4947 TIMING: 3419400 CPU: 10226.2, 0.00301698/step Wall: 10226.2, 0.00301698/step, 1.32462 hours remaining, 206.000000 MB of memory in use. ENERGY: 3419400 759.4849 2042.7664 1970.2217 117.4649 -206301.6477 18012.7114 0.0000 0.0000 34083.3944 -149315.6041 297.6588 -183398.9984 -149218.9099 299.3828 58.1212 90.8578 558249.7837 3.2669 3.3559 PRESSURE: 3419600 44.2529 -20.719 34.921 -20.7199 -87.0685 50.001 34.9202 50.0019 94.7355 GPRESSURE: 3419600 111.121 65.8386 86.5562 -99.7814 -48.7917 72.9567 -22.8797 33.3408 81.0936 PRESSAVG: 3419600 -12.2172 23.8874 -60.9761 23.8876 28.289 -3.85609 -60.9761 -3.85605 18.2693 GPRESSAVG: 3419600 -11.5508 24.0599 -62.5631 21.1003 28.2911 -5.4992 -59.7345 -3.66154 17.6971 TIMING: 3419600 CPU: 10226.8, 0.00302216/step Wall: 10226.8, 0.00302216/step, 1.32673 hours remaining, 206.000000 MB of memory in use. ENERGY: 3419600 776.0621 2061.4538 1965.6991 115.7536 -206484.5029 17921.8576 0.0000 0.0000 34345.5823 -149298.0944 299.9485 -183643.6767 -149207.6660 299.0933 17.3066 47.8077 556576.3516 11.4470 11.4791 PRESSURE: 3419800 25.9979 22.1155 -63.1696 22.1147 110.345 -116.209 -63.1684 -116.208 154.797 GPRESSURE: 3419800 64.5447 7.50347 -20.5856 6.35848 194.16 -179.235 -107.013 -183.313 125.213 PRESSAVG: 3419800 -11.6079 42.482 -16.4004 42.4821 46.8686 -22.3258 -16.4004 -22.3257 12.4939 GPRESSAVG: 3419800 -10.7617 42.2991 -14.0386 44.6178 45.3405 -23.5025 -17.4027 -21.2827 12.8256 TIMING: 3419800 CPU: 10227.4, 0.00298753/step Wall: 10227.4, 0.00298753/step, 1.31136 hours remaining, 206.000000 MB of memory in use. ENERGY: 3419800 794.5149 2097.2128 1929.9292 111.8884 -206444.9508 18052.0033 0.0000 0.0000 34221.4352 -149237.9670 298.8643 -183459.4022 -149144.3349 299.1670 97.0466 127.9724 557462.1261 15.9182 15.8014 PRESSURE: 3420000 45.5312 -160.128 63.7271 -160.128 -41.1956 -61.0333 63.727 -61.0356 190.737 GPRESSURE: 3420000 68.4734 -158.708 109.083 -134.393 12.2805 -78.7121 48.1412 5.98766 207.39 PRESSAVG: 3420000 -6.38461 -49.6647 13.2825 -49.6646 -7.42967 -53.0338 13.2826 -53.0338 33.7436 GPRESSAVG: 3420000 -6.64048 -48.1701 11.5827 -51.5762 -7.00284 -51.9272 12.7681 -54.3431 33.5973 TIMING: 3420000 CPU: 10228, 0.00303402/step Wall: 10228, 0.00303402/step, 1.3316 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: 3420000 760.3041 2067.1593 1926.9688 111.2287 -206491.8139 17895.7564 0.0000 0.0000 34425.1999 -149305.1968 300.6438 -183730.3967 -149209.4971 299.4604 65.0242 96.0481 556912.1718 6.6431 6.6513 PRESSURE: 3420200 -197.886 10.8151 84.9606 10.8146 -93.1218 165.236 84.9607 165.235 -310.599 GPRESSURE: 3420200 -128.014 113.84 -62.8725 -4.0104 -66.323 75.762 99.7128 170.617 -316.548 PRESSAVG: 3420200 26.5172 11.1236 14.01 11.1235 -58.5712 15.6509 14.0101 15.6509 18.7834 GPRESSAVG: 3420200 25.4387 9.13746 14.8466 11.5278 -57.1026 15.8108 15.8562 15.3492 18.1934 TIMING: 3420200 CPU: 10228.6, 0.00305355/step Wall: 10228.6, 0.00305355/step, 1.34 hours remaining, 206.000000 MB of memory in use. ENERGY: 3420200 766.6492 2044.7266 1923.0572 108.3879 -206048.6394 17519.5297 0.0000 0.0000 34375.7549 -149310.5339 300.2120 -183686.2888 -149205.8984 299.3813 -200.5356 -170.2948 557512.6486 -4.4235 -4.4902 LDB: ============= START OF LOAD BALANCING ============== 10232.1 LDB: ============== END OF LOAD BALANCING =============== 10232.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10232.1 LDB: ============= START OF LOAD BALANCING ============== 10232.4 LDB: Largest compute 4820 load 0.026021 is 22.0% of average load 0.118062 LDB: Average compute 0.001731 is 1.5% of average load 0.118062 LDB: TIME 10232.4 LOAD: AVG 0.118062 MAX 0.212498 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 10232.4 LOAD: AVG 0.118062 MAX 0.212498 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 10232.4 LOAD: AVG 0.118062 MAX 0.212498 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: ============== END OF LOAD BALANCING =============== 10232.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10232.4 PRESSURE: 3420400 29.8824 -92.7616 88.1832 -92.761 65.187 11.2587 88.1832 11.2599 317.191 GPRESSURE: 3420400 37.4432 -147.359 128.805 -19.4292 117.831 99.2329 147.351 -58.4895 361.262 PRESSAVG: 3420400 0.751389 -1.12849 -2.29673 -1.12842 14.8337 10.3116 -2.29663 10.3116 17.2588 GPRESSAVG: 3420400 0.311939 -1.41417 -3.53991 -0.585007 13.6769 10.2542 -2.35247 11.9765 19.0815 TIMING: 3420400 CPU: 10229.3, 0.00308179/step Wall: 10229.3, 0.00308179/step, 1.35222 hours remaining, 204.718750 MB of memory in use. ENERGY: 3420400 710.0592 2045.2604 1913.5334 111.4450 -206178.0801 17804.4564 0.0000 0.0000 34203.4779 -149389.8477 298.7075 -183593.3257 -149294.9234 298.9728 137.4201 172.1789 555846.6822 10.9480 11.0235 PRESSURE: 3420600 -0.654779 -51.6923 -195.525 -51.6923 -62.3357 -47.5018 -195.526 -47.5014 -36.1955 GPRESSURE: 3420600 27.7878 -43.9454 -248.819 -66.3414 -7.73904 65.7981 -109.641 -76.5257 -8.22494 PRESSAVG: 3420600 -36.1931 -2.23161 -26.1118 -2.2317 -27.5034 -32.9176 -26.1118 -32.9175 45.3978 GPRESSAVG: 3420600 -35.8234 0.543396 -26.9531 -3.72986 -27.4511 -32.2783 -24.7859 -34.0368 44.5015 TIMING: 3420600 CPU: 10229.9, 0.00302816/step Wall: 10229.9, 0.00302816/step, 1.32852 hours remaining, 204.718750 MB of memory in use. ENERGY: 3420600 746.2856 2101.2267 1931.9070 114.2329 -206211.7621 17812.0465 0.0000 0.0000 34275.9383 -149230.1251 299.3403 -183506.0634 -149133.4522 299.0801 -33.0620 3.9413 558186.7159 -6.0995 -6.2577 PRESSURE: 3420800 157.211 -67.8359 -232.662 -67.8347 154.46 125.745 -232.663 125.747 161.915 GPRESSURE: 3420800 178.321 8.20423 -178.854 -85.564 175.337 43.3062 -183.519 225.218 216.016 PRESSAVG: 3420800 -45.491 20.3921 -28.8717 20.392 13.5834 -67.936 -28.8716 -67.936 45.274 GPRESSAVG: 3420800 -44.6813 19.0164 -26.4983 21.214 13.4476 -68.387 -29.7349 -68.2937 45.3916 TIMING: 3420800 CPU: 10230.5, 0.00304045/step Wall: 10230.5, 0.00304045/step, 1.33374 hours remaining, 204.718750 MB of memory in use. ENERGY: 3420800 690.7187 2059.7055 1952.1604 107.5588 -206270.5359 18121.8400 0.0000 0.0000 34102.8721 -149235.6803 297.8289 -183338.5524 -149138.3193 298.9218 157.8622 189.8913 557881.1472 4.4555 4.7193 PRESSURE: 3421000 -51.2382 -96.6486 -55.7069 -96.6484 -71.534 138.897 -55.7078 138.895 373.438 GPRESSURE: 3421000 -29.5067 -74.507 -66.0775 -72.669 -38.6339 88.0238 3.46235 98.3946 416.546 PRESSAVG: 3421000 16.7212 -44.4949 -58.146 -44.4949 -38.529 -14.1034 -58.146 -14.1034 33.3893 GPRESSAVG: 3421000 15.5522 -46.06 -60.9213 -43.8815 -37.9083 -15.2303 -58.1354 -12.6648 33.8034 TIMING: 3421000 CPU: 10231.1, 0.00304336/step Wall: 10231.1, 0.00304336/step, 1.33485 hours remaining, 204.718750 MB of memory in use. ENERGY: 3421000 712.8479 2026.9654 1951.6853 110.9924 -206590.4632 17999.3056 0.0000 0.0000 34556.8685 -149231.7980 301.7937 -183788.6666 -149129.8547 299.2588 83.5553 116.1351 557371.2591 3.8605 3.8158 PRESSURE: 3421200 -144.587 62.0915 -206.323 62.092 82.3686 -3.85157 -206.322 -3.85213 153.343 GPRESSURE: 3421200 -82.076 112.398 -220.084 59.2709 108.378 -105.098 -225.602 36.4658 157.398 PRESSAVG: 3421200 -34.3662 -40.4173 -59.3505 -40.4173 1.97831 -6.64562 -59.3504 -6.64559 13.9145 GPRESSAVG: 3421200 -33.4066 -37.3525 -58.993 -42.0172 1.10892 -5.42842 -57.4772 -6.47651 13.059 TIMING: 3421200 CPU: 10231.7, 0.0030236/step Wall: 10231.7, 0.0030236/step, 1.32602 hours remaining, 204.718750 MB of memory in use. ENERGY: 3421200 720.5937 2063.3314 1974.8345 114.1704 -206266.2637 17772.3523 0.0000 0.0000 34245.8903 -149375.0912 299.0779 -183620.9815 -149286.6770 299.0960 30.3750 61.2334 556023.0090 -6.1578 -6.4129 PRESSURE: 3421400 243.119 77.0475 -72.5135 77.0466 283.719 -89.9588 -72.5119 -89.9589 209.272 GPRESSURE: 3421400 288.221 29.3555 -35.2179 92.8726 285.902 -142.557 -65.4485 -87.8655 263.746 PRESSAVG: 3421400 -54.2341 -8.14788 13.0224 -8.14788 60.4392 -15.5766 13.0222 -15.5766 -21.6456 GPRESSAVG: 3421400 -55.7221 -11.1127 14.4099 -6.19731 61.2278 -16.5682 9.56052 -15.673 -20.7084 TIMING: 3421400 CPU: 10232.3, 0.00303653/step Wall: 10232.3, 0.00303653/step, 1.33152 hours remaining, 204.718750 MB of memory in use. ENERGY: 3421400 722.5198 2046.2242 1942.7579 111.5880 -206296.9150 18035.0015 0.0000 0.0000 34080.3256 -149358.4981 297.6320 -183438.8237 -149270.6107 299.1769 245.3699 279.2895 555951.9163 -5.1469 -5.0676 PRESSURE: 3421600 -254.752 -109.391 15.3899 -109.39 187.529 71.8725 15.3889 71.8728 195.771 GPRESSURE: 3421600 -237.132 -176.597 8.52622 -67.2006 184.686 79.1062 -59.1411 138.3 281.164 PRESSAVG: 3421600 3.02055 6.46887 -13.3505 6.4689 24.2635 -55.3867 -13.3505 -55.3867 -38.4289 GPRESSAVG: 3421600 4.05594 8.88452 -12.1969 6.09889 24.2075 -56.4381 -13.0497 -56.4879 -39.5994 TIMING: 3421600 CPU: 10232.9, 0.00304669/step Wall: 10232.9, 0.00304669/step, 1.3358 hours remaining, 204.718750 MB of memory in use. ENERGY: 3421600 713.6223 2089.7989 1929.8937 108.1138 -206472.8618 17888.3105 0.0000 0.0000 34397.1388 -149345.9838 300.3988 -183743.1226 -149241.3878 299.4328 42.8494 76.2394 555139.0102 -3.7150 -3.7787 PRESSURE: 3421800 -400.546 -90.4902 -14.6021 -90.4899 -295.567 -39.7357 -14.6011 -39.7374 -549.75 GPRESSURE: 3421800 -372.227 -75.2067 -44.1791 -97.098 -280.467 -55.0002 -38.1141 -1.91622 -493.847 PRESSAVG: 3421800 42.1083 65.8147 -39.1438 65.8147 -47.1301 37.2051 -39.1437 37.2051 12.8178 GPRESSAVG: 3421800 41.6217 68.3848 -38.344 64.3593 -48.0232 36.0898 -39.2617 38.7634 13.6348 TIMING: 3421800 CPU: 10233.5, 0.00303348/step Wall: 10233.5, 0.00303348/step, 1.32984 hours remaining, 204.718750 MB of memory in use. ENERGY: 3421800 738.4517 2073.6918 1942.0543 95.3184 -205599.0756 17212.3888 0.0000 0.0000 34215.8305 -149321.3400 298.8154 -183537.1705 -149227.1682 299.6292 -415.2874 -382.1805 557738.1487 2.5987 2.4111 PRESSURE: 3422000 72.56 91.1442 37.6035 91.1441 63.908 -4.4705 37.6037 -4.46987 74.7351 GPRESSURE: 3422000 131.549 130.966 30.0683 140.07 59.7645 -17.8674 16.7372 -41.7513 118.37 PRESSAVG: 3422000 77.2905 -46.3289 4.77196 -46.3289 -19.1133 -22.4353 4.77191 -22.4354 -47.5596 GPRESSAVG: 3422000 77.6968 -49.3486 4.93649 -43.4962 -17.9994 -20.858 4.80141 -22.7578 -48.2633 TIMING: 3422000 CPU: 10234.1, 0.00305776/step Wall: 10234.1, 0.00305776/step, 1.34032 hours remaining, 204.718750 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: 3422000 745.9170 2047.4793 1963.2006 106.4063 -206151.4089 17862.7558 0.0000 0.0000 34330.3710 -149095.2788 299.8157 -183425.6499 -148995.1597 299.6943 70.4010 103.2277 556862.9318 3.5392 3.8114 PRESSURE: 3422200 200.16 -201.923 -71.6395 -201.923 147.813 109.808 -71.6399 109.808 83.5299 GPRESSURE: 3422200 271.131 -145.919 -54.8122 -268.855 136.966 83.2428 12.1166 98.2056 125.568 PRESSAVG: 3422200 27.1734 -37.1717 9.44286 -37.1718 -19.5459 60.658 9.44276 60.6579 -15.0103 GPRESSAVG: 3422200 26.573 -37.5155 7.63677 -37.8956 -19.0445 61.3193 11.5998 60.4894 -15.1933 TIMING: 3422200 CPU: 10234.7, 0.00303649/step Wall: 10234.7, 0.00303649/step, 1.33083 hours remaining, 204.718750 MB of memory in use. ENERGY: 3422200 723.1515 2112.0596 1983.8346 116.8843 -206332.6213 17830.1727 0.0000 0.0000 34371.9367 -149194.5819 300.1787 -183566.5186 -149098.1146 300.0815 143.8342 177.8883 555716.9736 -2.4610 -2.5550 PRESSURE: 3422400 -210.383 -219.051 -51.6161 -219.051 117.155 89.1159 -51.6185 89.1156 116.416 GPRESSURE: 3422400 -212.746 -270.579 -71.4465 -239.704 157.101 111.991 -74.1222 28.7127 165.092 PRESSAVG: 3422400 17.0842 -30.2282 33.6522 -30.2282 -28.1146 59.52 33.6521 59.5199 33.4141 GPRESSAVG: 3422400 17.0246 -30.8639 33.9715 -30.352 -29.3543 58.5518 33.1246 58.4133 35.0843 TIMING: 3422400 CPU: 10235.3, 0.00302838/step Wall: 10235.3, 0.00302838/step, 1.3271 hours remaining, 204.718750 MB of memory in use. ENERGY: 3422400 724.9320 2086.5772 1982.5345 116.5317 -205954.8716 17670.5802 0.0000 0.0000 34177.6984 -149196.0177 298.4823 -183373.7161 -149107.2167 299.5098 7.7295 36.4825 558185.2570 7.4612 7.5849 PRESSURE: 3422600 31.2577 -56.8062 122.135 -56.807 -245.219 -82.7058 122.136 -82.7048 -40.8575 GPRESSURE: 3422600 83.0081 41.1933 163.208 -56.9466 -212.451 -68.8136 92.5726 -91.3953 -26.3518 PRESSAVG: 3422600 28.1149 -11.7544 6.75913 -11.7544 -20.4078 26.0507 6.75909 26.0508 9.33424 GPRESSAVG: 3422600 28.1817 -11.5965 6.97557 -11.7716 -20.3294 26.0607 3.63391 28.6619 8.83774 TIMING: 3422600 CPU: 10235.9, 0.00301909/step Wall: 10235.9, 0.00301909/step, 1.32287 hours remaining, 204.718750 MB of memory in use. ENERGY: 3422600 747.1663 1994.5284 1963.3620 119.3563 -206025.7998 17727.7197 0.0000 0.0000 34170.4604 -149303.2068 298.4191 -183473.6672 -149208.8597 299.0878 -84.9396 -51.9317 558728.8272 5.6805 5.5633 PRESSURE: 3422800 -88.081 29.3687 100.444 29.368 -230.108 25.8031 100.444 25.8022 -114.597 GPRESSURE: 3422800 -84.4601 56.4622 121.615 55.6152 -185.962 11.5769 32.9234 -24.6451 -71.7305 PRESSAVG: 3422800 65.6834 -27.0554 -13.4943 -27.0554 -21.0363 10.3088 -13.4943 10.3087 -77.9013 GPRESSAVG: 3422800 65.5939 -26.8868 -14.8869 -27.5553 -20.4194 11.0325 -10.365 6.99385 -79.332 TIMING: 3422800 CPU: 10236.5, 0.00300174/step Wall: 10236.5, 0.00300174/step, 1.31509 hours remaining, 204.718750 MB of memory in use. ENERGY: 3422800 733.7975 2035.9367 1983.8082 115.2310 -205823.7607 17675.6453 0.0000 0.0000 34218.8458 -149060.4963 298.8417 -183279.3420 -148953.3695 299.1976 -144.2620 -114.0510 560641.4894 -11.0847 -11.3858 PRESSURE: 3423000 -89.6755 -120.374 86.7848 -120.372 -420.226 84.0162 86.7849 84.0172 -385.619 GPRESSURE: 3423000 -131.34 -136.001 59.5158 -114.395 -361.982 41.1561 145.704 38.1134 -301.073 PRESSAVG: 3423000 -15.6562 -77.3939 89.3433 -77.3939 -5.43093 20.2479 89.3433 20.2481 0.202631 GPRESSAVG: 3423000 -16.3945 -77.589 91.4319 -76.2701 -5.38542 18.6727 86.9404 22.3835 2.07697 TIMING: 3423000 CPU: 10237.1, 0.00299877/step Wall: 10237.1, 0.00299877/step, 1.31363 hours remaining, 204.718750 MB of memory in use. ENERGY: 3423000 763.7672 2074.8571 1950.1028 110.3873 -205644.2252 17453.0442 0.0000 0.0000 34332.6613 -148959.4053 299.8357 -183292.0666 -148861.9947 299.6815 -298.5068 -264.7980 559161.8633 -6.9615 -6.5676 PRESSURE: 3423200 327.73 37.1133 -17.8928 37.1112 150.729 -132.768 -17.8928 -132.767 19.9967 GPRESSURE: 3423200 290.941 -16.3607 -42.0968 81.904 184.263 -70.1592 11.4466 -136.945 112.691 PRESSAVG: 3423200 -34.3678 -63.1918 12.796 -63.192 10.3371 -1.68535 12.7959 -1.68548 16.5867 GPRESSAVG: 3423200 -33.9013 -63.7799 11.7074 -61.9015 10.4196 1.60348 14.2437 -2.35335 16.2674 TIMING: 3423200 CPU: 10237.7, 0.0029837/step Wall: 10237.7, 0.0029837/step, 1.30686 hours remaining, 204.718750 MB of memory in use. ENERGY: 3423200 780.7232 2068.7296 1939.2643 107.1474 -206112.4667 18018.2445 0.0000 0.0000 34376.1615 -148822.1962 300.2156 -183198.3577 -148727.3536 300.2668 166.1517 195.9651 556582.8713 -2.4813 -2.4048 PRESSURE: 3423400 -67.3834 -25.2554 -59.2537 -25.2551 201.781 61.3607 -59.2544 61.3615 45.2243 GPRESSURE: 3423400 14.8162 -42.3652 -83.5227 -49.7729 208.411 68.8854 -5.65081 49.6441 45.5744 PRESSAVG: 3423400 -46.289 15.9878 0.579042 15.9878 18.8031 -28.3532 0.579059 -28.3531 48.2394 GPRESSAVG: 3423400 -45.5987 16.1317 0.0660185 13.7342 18.7364 -29.9679 2.4848 -27.5168 47.9491 TIMING: 3423400 CPU: 10238.3, 0.0029835/step Wall: 10238.3, 0.0029835/step, 1.30661 hours remaining, 204.718750 MB of memory in use. ENERGY: 3423400 738.2636 2105.1175 1935.6656 110.5418 -205667.4208 17786.7225 0.0000 0.0000 34273.9151 -148717.1947 299.3226 -182991.1098 -148612.0503 300.9094 59.8739 89.6005 558006.9175 6.9178 7.0290 PRESSURE: 3423600 -158.168 -91.826 -86.2636 -91.825 71.7924 -12.465 -86.2628 -12.4647 -201.493 GPRESSURE: 3423600 -122.389 -72.0707 -99.1469 -94.6064 97.0316 -95.2711 -56.3683 33.7894 -164.622 PRESSAVG: 3423600 -29.9684 51.3045 7.52678 51.3045 9.05099 -75.1542 7.52664 -75.1543 67.3307 GPRESSAVG: 3423600 -30.0362 50.9358 8.13652 53.0727 8.98467 -75.0909 6.04401 -75.6525 67.4187 TIMING: 3423600 CPU: 10238.9, 0.0029943/step Wall: 10238.9, 0.0029943/step, 1.31117 hours remaining, 204.718750 MB of memory in use. ENERGY: 3423600 744.9072 2052.6366 1966.9883 103.2145 -205750.6927 17561.6347 0.0000 0.0000 34535.8899 -148785.4215 301.6105 -183321.3114 -148686.6894 300.7595 -95.9562 -63.3266 557629.5281 15.4711 15.4557 PRESSURE: 3423800 93.0597 -206.668 12.73 -206.669 -255.114 86.0217 12.732 86.0226 204.512 GPRESSURE: 3423800 162.868 -241.063 0.137078 -159.114 -208.347 160.721 -23.1486 48.8069 172.589 PRESSAVG: 3423800 -28.9627 -4.97421 -19.6869 -4.9743 -70.4005 -58.0068 -19.6869 -58.0068 93.5522 GPRESSAVG: 3423800 -28.9412 -4.5574 -20.3803 -6.15208 -70.8077 -57.7843 -20.1269 -57.5717 93.7057 TIMING: 3423800 CPU: 10239.5, 0.00301246/step Wall: 10239.5, 0.00301246/step, 1.31896 hours remaining, 204.718750 MB of memory in use. ENERGY: 3423800 715.2636 2088.5858 1915.9745 108.1019 -206092.3142 17907.1307 0.0000 0.0000 34430.1041 -148927.1536 300.6867 -183357.2576 -148831.5992 300.2894 14.1526 42.3698 559703.0327 -1.9370 -2.0144 PRESSURE: 3424000 139.501 -0.103211 -95.3924 -0.103145 154.023 -45.4343 -95.3908 -45.4334 403.238 GPRESSURE: 3424000 182.826 112.358 2.62882 -27.1482 183.546 -0.950256 -166.365 30.9656 429.676 PRESSAVG: 3424000 -13.9524 -67.2217 -11.2071 -67.2217 -86.302 -18.7915 -11.2072 -18.7915 100.016 GPRESSAVG: 3424000 -14.8894 -67.2393 -10.4815 -66.359 -85.2221 -19.5767 -12.9841 -18.1109 98.9717 TIMING: 3424000 CPU: 10240.1, 0.00301753/step Wall: 10240.1, 0.00301753/step, 1.32101 hours remaining, 204.718750 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: 3424000 724.8581 2102.8240 1933.3699 101.7891 -206271.3711 18127.3144 0.0000 0.0000 34346.1402 -148935.0755 299.9534 -183281.2157 -148833.8386 300.8103 232.2540 265.3495 560014.3913 -0.0794 -0.3799 PRESSURE: 3424200 -175.633 96.9313 190.311 96.93 -103.829 39.8832 190.312 39.8832 -86.8222 GPRESSURE: 3424200 -181.89 94.9189 253.284 37.9695 -46.8314 37.0289 130.712 31.7561 -44.1747 PRESSAVG: 3424200 -38.4932 -54.2331 13.7599 -54.2332 -83.7807 -14.224 13.7599 -14.224 132.542 GPRESSAVG: 3424200 -38.7861 -54.4408 14.5969 -55.7676 -84.0945 -14.3774 15.5118 -14.1962 132.874 TIMING: 3424200 CPU: 10240.7, 0.00302182/step Wall: 10240.7, 0.00302182/step, 1.32272 hours remaining, 204.718750 MB of memory in use. ENERGY: 3424200 773.1364 2044.6179 1941.6102 112.1613 -205976.1898 17720.3835 0.0000 0.0000 34351.4948 -149032.7858 300.0001 -183384.2805 -148935.1661 300.0874 -122.0948 -90.9654 559662.2062 3.4229 3.3310 LDB: ============= START OF LOAD BALANCING ============== 10244.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10244.2 LDB: =============== DONE WITH MIGRATION ================ 10244.2 LDB: ============= START OF LOAD BALANCING ============== 10244.5 LDB: Largest compute 4820 load 0.026727 is 22.6% of average load 0.118134 LDB: Average compute 0.001742 is 1.5% of average load 0.118134 LDB: TIME 10244.5 LOAD: AVG 0.118134 MAX 0.209917 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 10244.5 LOAD: AVG 0.118134 MAX 0.209917 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 10244.5 LOAD: AVG 0.118134 MAX 0.209917 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10244.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10244.5 PRESSURE: 3424400 47.2347 18.3704 -43.3284 18.3699 -75.2488 -61.0735 -43.328 -61.0741 347.726 GPRESSURE: 3424400 73.3081 86.5728 -127.252 5.16042 -46.9439 -117.106 -114.255 -1.47861 377.691 PRESSAVG: 3424400 -10.0348 -17.4229 -0.608132 -17.4229 -41.0185 37.0454 -0.60813 37.0453 49.0896 GPRESSAVG: 3424400 -10.0135 -16.7013 -1.47429 -18.0826 -42.7637 37.557 -3.3615 36.7662 50.353 TIMING: 3424400 CPU: 10241.4, 0.00308573/step Wall: 10241.4, 0.00308573/step, 1.35052 hours remaining, 205.289062 MB of memory in use. ENERGY: 3424400 743.2255 2081.7932 1947.3766 109.7675 -206401.4696 18043.1914 0.0000 0.0000 34254.2294 -149221.8860 299.1507 -183476.1155 -149127.0935 299.6936 106.5706 134.6851 558794.6863 -0.6546 -0.8080 PRESSURE: 3424600 -193.519 -82.1603 -169.761 -82.1611 39.0311 -52.5051 -169.761 -52.5051 -259.405 GPRESSURE: 3424600 -137.817 -107.917 -120.593 19.4091 59.2726 -111.03 -215.002 -4.17232 -228.381 PRESSAVG: 3424600 -5.89706 17.9208 -20.6509 17.9208 6.66231 4.79326 -20.6509 4.79327 9.71318 GPRESSAVG: 3424600 -4.29906 16.3405 -21.6748 19.2689 6.69106 5.78599 -19.1406 4.35232 8.00971 TIMING: 3424600 CPU: 10242, 0.00304208/step Wall: 10242, 0.00304208/step, 1.33125 hours remaining, 205.289062 MB of memory in use. ENERGY: 3424600 741.3655 1990.0787 1973.3065 122.5393 -206029.0906 17720.0196 0.0000 0.0000 34261.8155 -149219.9657 299.2170 -183481.7812 -149127.2611 299.6380 -137.9645 -102.3087 561110.8950 3.4928 3.4672 PRESSURE: 3424800 98.9356 -32.578 -10.5183 -32.5777 -55.1814 104.297 -10.518 104.297 124.914 GPRESSURE: 3424800 86.4164 -28.5588 22.6724 -105.706 -43.669 171.053 -41.8465 135.291 226.184 PRESSAVG: 3424800 -73.268 -25.4105 -27.5099 -25.4105 18.2291 1.26334 -27.5098 1.26353 36.3322 GPRESSAVG: 3424800 -75.1394 -25.6588 -27.9713 -23.3497 18.7309 0.283146 -24.0024 1.74213 37.4585 TIMING: 3424800 CPU: 10242.6, 0.00304735/step Wall: 10242.6, 0.00304735/step, 1.33338 hours remaining, 205.289062 MB of memory in use. ENERGY: 3424800 748.4822 2141.6989 1945.1451 136.5715 -206482.0515 18115.3591 0.0000 0.0000 34291.1610 -149103.6336 299.4732 -183394.7946 -149015.9221 299.7534 56.2229 89.6440 559253.7879 -6.2356 -6.3167 PRESSURE: 3425000 -41.4721 44.5128 -110.214 44.5128 108.972 -100.52 -110.214 -100.522 -77.7249 GPRESSURE: 3425000 33.1129 87.5474 -102.222 110.687 67.1168 -68.2949 -116.447 -127.595 -16.522 PRESSAVG: 3425000 52.4299 -51.0725 -38.9625 -51.0725 -0.254349 -6.96587 -38.9625 -6.96597 -26.774 GPRESSAVG: 3425000 53.5719 -50.0098 -39.3146 -53.5521 -0.15478 -5.84474 -39.7065 -7.63004 -27.5816 TIMING: 3425000 CPU: 10243.2, 0.00302153/step Wall: 10243.2, 0.00302153/step, 1.32192 hours remaining, 205.289062 MB of memory in use. ENERGY: 3425000 719.2836 2121.6759 1936.9080 108.2224 -206190.5910 17781.6443 0.0000 0.0000 34357.2526 -149165.6043 300.0504 -183522.8569 -149065.3935 299.8713 -3.4084 27.9026 558602.4179 8.4672 8.6118 PRESSURE: 3425200 -201.044 -5.63502 82.9018 -5.63587 -13.7841 -86.8141 82.9023 -86.813 -436.869 GPRESSURE: 3425200 -137.61 36.0966 115.1 -69.142 35.8606 -41.5548 63.2377 -80.4867 -460.669 PRESSAVG: 3425200 17.3092 -19.8954 11.247 -19.8954 -24.9807 -14.1148 11.247 -14.1148 -36.7451 GPRESSAVG: 3425200 16.847 -20.7851 13.7315 -18.8696 -24.7308 -15.369 8.93289 -13.2852 -36.8086 TIMING: 3425200 CPU: 10243.8, 0.00302234/step Wall: 10243.8, 0.00302234/step, 1.3221 hours remaining, 205.289062 MB of memory in use. ENERGY: 3425200 755.8248 2110.9497 1922.3108 106.9963 -206481.1723 17814.6132 0.0000 0.0000 34382.8237 -149387.6539 300.2738 -183770.4776 -149285.1431 299.2810 -217.2324 -187.4729 558946.2135 -14.8055 -14.8975 PRESSURE: 3425400 -82.7389 -110.129 -114.882 -110.13 -36.2809 -23.1796 -114.883 -23.1787 58.4652 GPRESSURE: 3425400 11.5961 -34.7949 -129.282 -99.608 -34.2975 -6.9569 -127.54 13.1735 50.1409 PRESSAVG: 3425400 67.9436 0.710404 13.2943 0.710381 -29.9739 -18.0875 13.2944 -18.0875 -11.3706 GPRESSAVG: 3425400 68.1762 1.33464 11.4868 -0.217592 -30.7088 -17.4552 14.8163 -16.4711 -10.398 TIMING: 3425400 CPU: 10244.4, 0.00300751/step Wall: 10244.4, 0.00300751/step, 1.31545 hours remaining, 205.289062 MB of memory in use. ENERGY: 3425400 781.1473 2089.8008 1943.1154 95.9583 -206257.9019 17991.3623 0.0000 0.0000 33908.8283 -149447.6895 296.1342 -183356.5178 -149357.0329 298.5722 -20.1849 9.1465 558395.0915 8.8664 9.0232 PRESSURE: 3425600 175.775 166.699 61.3709 166.699 151.396 201.076 61.3712 201.077 5.67222 GPRESSURE: 3425600 151.759 216.083 47.2012 109.02 242.356 168.842 67.6453 268.062 48.9778 PRESSAVG: 3425600 16.3086 -14.1351 39.9197 -14.1351 -25.4121 53.3609 39.9197 53.3608 -34.4507 GPRESSAVG: 3425600 15.3441 -12.626 38.8236 -15.1717 -25.3057 54.0248 40.1456 52.4097 -33.9534 TIMING: 3425600 CPU: 10245, 0.00302691/step Wall: 10245, 0.00302691/step, 1.32377 hours remaining, 205.289062 MB of memory in use. ENERGY: 3425600 758.2750 2028.0609 1981.2195 116.6620 -206869.5788 18181.4891 0.0000 0.0000 34282.5203 -149521.3521 299.3978 -183803.8723 -149421.0122 298.5153 110.9479 147.6975 557252.3203 -14.5181 -14.6383 PRESSURE: 3425800 -42.9787 223.24 -27.3444 223.242 25.2804 -56.7248 -27.344 -56.7239 160.333 GPRESSURE: 3425800 10.2878 221.123 48.1415 139.679 121.012 -30.4248 -126.056 -11.4955 118.94 PRESSAVG: 3425800 78.7308 28.5869 -22.2381 28.587 7.52871 -10.2352 -22.2381 -10.2352 -38.2852 GPRESSAVG: 3425800 79.9695 27.4071 -20.8951 30.176 7.12983 -10.9833 -24.6406 -11.6453 -39.3441 TIMING: 3425800 CPU: 10245.6, 0.0030313/step Wall: 10245.6, 0.0030313/step, 1.32552 hours remaining, 205.289062 MB of memory in use. ENERGY: 3425800 718.8351 2018.0469 1964.1264 124.2197 -206551.7788 17945.2677 0.0000 0.0000 34178.7261 -149602.5569 298.4913 -183781.2830 -149510.8876 298.5157 47.5450 83.4132 558120.6195 15.9914 15.9184 PRESSURE: 3426000 -267.185 -50.2536 75.0393 -50.254 77.638 -116.794 75.0393 -116.795 68.6811 GPRESSURE: 3426000 -267.928 -31.106 140.997 43.2964 106.843 -116.76 44.4536 -168.336 119.27 PRESSAVG: 3426000 -22.7743 83.954 2.84064 83.9541 -3.26441 22.019 2.84064 22.0189 37.9628 GPRESSAVG: 3426000 -23.7522 82.8487 5.46918 84.0965 -3.09232 21.2059 2.97555 22.2651 38.8523 TIMING: 3426000 CPU: 10246.2, 0.00303994/step Wall: 10246.2, 0.00303994/step, 1.32913 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: 3426000 743.8233 2106.8525 1940.7871 99.9407 -206484.5905 17800.4808 0.0000 0.0000 34054.3591 -149738.3469 297.4052 -183792.7060 -149643.2558 297.8682 -40.2886 -13.9381 556488.7484 3.9747 4.0026 PRESSURE: 3426200 -50.4933 -68.721 22.557 -68.7214 61.9225 -71.2985 22.5562 -71.2984 -125.636 GPRESSURE: 3426200 -47.294 -121.578 -3.69013 -24.4556 109.621 -95.4419 56.2602 -0.84978 -66.5893 PRESSAVG: 3426200 4.77019 50.8006 -22.1353 50.8007 12.1468 -27.5423 -22.1353 -27.5424 -56.6623 GPRESSAVG: 3426200 2.66554 51.8448 -23.364 50.8712 12.1513 -27.6064 -21.1994 -27.6477 -55.2443 TIMING: 3426200 CPU: 10246.8, 0.0030433/step Wall: 10246.8, 0.0030433/step, 1.33043 hours remaining, 205.289062 MB of memory in use. ENERGY: 3426200 710.4931 2092.2327 1923.3109 111.0624 -206587.4153 17820.2146 0.0000 0.0000 34078.7573 -149851.3442 297.6183 -183930.1015 -149752.7268 296.9103 -38.0688 -1.4208 556726.2591 -13.2484 -13.4758 PRESSURE: 3426400 -124.923 92.9239 -61.7332 92.9246 -117.794 41.8928 -61.7336 41.8924 263.133 GPRESSURE: 3426400 -112.995 119.994 -78.7625 65.2189 -34.2393 -23.638 -5.08199 32.5307 298 PRESSAVG: 3426400 36.2185 92.8707 -18.4947 92.8707 -37.6069 30.8556 -18.4947 30.8556 37.781 GPRESSAVG: 3426400 37.3799 94.4888 -18.7969 92.367 -38.1135 30.5232 -17.6738 32.1813 37.1865 TIMING: 3426400 CPU: 10247.4, 0.00304219/step Wall: 10247.4, 0.00304219/step, 1.32978 hours remaining, 205.289062 MB of memory in use. ENERGY: 3426400 750.6849 2111.3463 1947.3017 117.8870 -206632.9191 17873.9986 0.0000 0.0000 34015.5041 -149816.1965 297.0659 -183831.7006 -149727.4121 297.4917 6.8053 50.2553 556089.0571 12.1309 12.1510 PRESSURE: 3426600 -74.784 188.761 -200.259 188.76 -29.8723 -123.395 -200.26 -123.394 43.3497 GPRESSURE: 3426600 8.22901 154.195 -168.998 212.356 -28.5657 -118.777 -230.028 -67.0605 61.35 PRESSAVG: 3426600 33.3559 -8.44537 -10.4032 -8.44536 -81.881 51.4094 -10.4033 51.4094 33.9044 GPRESSAVG: 3426600 33.789 -9.49527 -10.7989 -9.27158 -81.222 51.4136 -9.72575 50.3146 32.7482 TIMING: 3426600 CPU: 10248, 0.00304013/step Wall: 10248, 0.00304013/step, 1.32871 hours remaining, 205.289062 MB of memory in use. ENERGY: 3426600 689.3386 2060.4856 1950.4539 114.7371 -206542.8560 17849.5909 0.0000 0.0000 34157.4316 -149720.8183 298.3053 -183878.2499 -149625.7813 298.1205 -20.4355 13.6711 556682.5186 -4.8736 -4.8949 PRESSURE: 3426800 -136.968 46.0796 -147.714 46.079 351.132 -128.898 -147.713 -128.897 -39.0726 GPRESSURE: 3426800 -101.74 33.2266 -156.236 43.062 373.848 -112.127 -102.148 -164.471 -11.3935 PRESSAVG: 3426800 34.1906 52.0457 35.8034 52.0458 -29.1589 -19.6548 35.8034 -19.6548 12.4401 GPRESSAVG: 3426800 35.1234 51.3947 37.1618 53.3845 -29.9877 -19.0848 35.2259 -17.2588 12.9646 TIMING: 3426800 CPU: 10248.6, 0.00305392/step Wall: 10248.6, 0.00305392/step, 1.33456 hours remaining, 205.289062 MB of memory in use. ENERGY: 3426800 755.3317 2143.2914 1947.2345 109.5866 -207126.2833 18129.2900 0.0000 0.0000 34031.2993 -150010.2498 297.2038 -184041.5491 -149922.3517 297.0849 58.3640 86.9049 557900.3007 5.8239 6.0334 PRESSURE: 3427000 -86.2576 162.337 22.5434 162.337 -29.438 -74.1533 22.5433 -74.1522 -35.202 GPRESSURE: 3427000 -24.3918 90.346 41.5401 273.534 -28.5053 -59.2583 19.6492 -67.9128 12.0677 PRESSAVG: 3427000 0.0303081 16.4902 74.8545 16.4902 -31.6803 -2.76653 74.8545 -2.7664 10.3304 GPRESSAVG: 3427000 -0.408197 17.9204 71.8133 15.3528 -30.5761 -1.77735 75.1874 -4.74684 10.1985 TIMING: 3427000 CPU: 10249.2, 0.00302711/step Wall: 10249.2, 0.00302711/step, 1.32268 hours remaining, 205.289062 MB of memory in use. ENERGY: 3427000 699.2435 2115.1592 1932.5563 123.6406 -206922.9388 17948.5854 0.0000 0.0000 34121.4369 -149982.3169 297.9910 -184103.7538 -149885.7017 297.1266 -50.2992 -13.6098 556710.8910 -7.1066 -6.9286 PRESSURE: 3427200 -237.966 17.0561 -41.6796 17.0551 -110.405 97.9845 -41.6804 97.985 -357.502 GPRESSURE: 3427200 -213.045 -60.2086 -54.1849 106.632 -84.7022 94.0392 -98.9667 69.324 -299.122 PRESSAVG: 3427200 82.9632 35.0491 40.326 35.0491 -84.3008 -0.551466 40.326 -0.551501 20.1243 GPRESSAVG: 3427200 83.3653 33.1485 40.9351 34.665 -84.478 -1.62759 39.3242 0.194538 19.2391 TIMING: 3427200 CPU: 10249.9, 0.00303664/step Wall: 10249.9, 0.00303664/step, 1.32667 hours remaining, 205.289062 MB of memory in use. ENERGY: 3427200 760.3347 2072.1950 1973.2527 126.1866 -206535.4958 17542.1389 0.0000 0.0000 34259.7646 -149801.6232 299.1990 -184061.3879 -149705.1439 297.2570 -235.2913 -198.9561 557069.9343 6.2622 6.0421 PRESSURE: 3427400 96.898 6.46019 64.8779 6.45925 62.1628 -104.221 64.8773 -104.221 -59.6397 GPRESSURE: 3427400 130.485 5.88226 81.585 47.8366 118.142 -13.9255 15.4723 -8.49994 -48.7326 PRESSAVG: 3427400 8.69315 9.93168 -42.0075 9.93165 0.7566 -38.8488 -42.0075 -38.8488 -15.6488 GPRESSAVG: 3427400 6.63037 12.199 -40.8314 11.9193 0.949676 -38.3232 -40.7692 -38.6783 -13.7656 TIMING: 3427400 CPU: 10250.5, 0.00302291/step Wall: 10250.5, 0.00302291/step, 1.32051 hours remaining, 205.289062 MB of memory in use. ENERGY: 3427400 775.3820 2134.9614 1949.4546 110.6890 -206580.6765 17946.5759 0.0000 0.0000 34029.9144 -149633.6992 297.1917 -183663.6136 -149535.3069 297.8828 33.1404 66.6313 555506.4814 -2.0663 -2.0618 PRESSURE: 3427600 201.52 1.84149 -148.79 1.84174 9.64535 17.6533 -148.791 17.6541 -85.0753 GPRESSURE: 3427600 200.034 -13.0974 -138.783 -88.5524 76.278 62.1991 -193.326 -84.5391 -59.1535 PRESSAVG: 3427600 8.28297 -23.6628 -25.922 -23.6627 -18.811 22.0616 -25.9219 22.0615 -24.8249 GPRESSAVG: 3427600 8.89232 -24.0728 -26.2242 -25.4944 -18.5992 21.4935 -26.399 23.4697 -25.3577 TIMING: 3427600 CPU: 10251.1, 0.00304566/step Wall: 10251.1, 0.00304566/step, 1.33028 hours remaining, 205.289062 MB of memory in use. ENERGY: 3427600 762.9398 2101.0915 1961.9247 116.4470 -206820.3435 18040.6550 0.0000 0.0000 34262.7688 -149574.5167 299.2253 -183837.2855 -149477.7292 297.8717 42.0300 72.3861 556292.7924 -11.7843 -11.6882 PRESSURE: 3427800 -77.5456 56.45 77.1074 56.4511 45.8781 -37.8964 77.1071 -37.8972 -208.389 GPRESSURE: 3427800 -64.3424 -19.6559 22.5262 96.4297 101.816 -69.5884 119.478 -7.97684 -189.281 PRESSAVG: 3427800 26.8094 16.326 6.03024 16.326 21.7242 -5.80159 6.03019 -5.80147 -17.0402 GPRESSAVG: 3427800 27.1197 15.3548 7.14876 16.2252 22.3949 -5.10228 4.32655 -7.93409 -18.0047 TIMING: 3427800 CPU: 10251.7, 0.00304555/step Wall: 10251.7, 0.00304555/step, 1.33006 hours remaining, 205.289062 MB of memory in use. ENERGY: 3427800 759.1295 2050.0468 1962.0474 116.7564 -206183.3259 17730.6865 0.0000 0.0000 34009.4770 -149555.1822 297.0132 -183564.6592 -149458.7051 297.8765 -80.0190 -50.6023 556595.0393 10.4978 10.5033 PRESSURE: 3428000 242.781 8.43023 -7.43902 8.43057 89.5332 -37.8693 -7.43795 -37.8692 182.365 GPRESSURE: 3428000 244.126 97.375 -15.8099 83.9286 117.086 -51.1815 -35.8731 -28.3255 247.388 PRESSAVG: 3428000 -41.7555 41.5092 -7.28834 41.5092 -22.1636 53.2211 -7.28834 53.2209 41.8297 GPRESSAVG: 3428000 -40.7024 41.5579 -8.48525 43.2734 -22.1294 52.2179 -5.4037 55.5965 40.8676 TIMING: 3428000 CPU: 10252.3, 0.00302753/step Wall: 10252.3, 0.00302753/step, 1.32202 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: 3428000 738.2335 2104.1943 1956.3377 110.9661 -206619.7794 17936.8584 0.0000 0.0000 34111.0944 -149662.0951 297.9007 -183773.1896 -149572.1695 298.6847 171.5597 202.8669 555329.7816 -7.3631 -7.3214 PRESSURE: 3428200 298.668 -123.632 -60.306 -123.632 218.621 22.0891 -60.3066 22.0885 326.973 GPRESSURE: 3428200 354.003 -115.75 -40.9894 -146.685 230.134 28.116 -74.7807 23.401 351.12 PRESSAVG: 3428200 -30.9363 4.03688 8.75526 4.03686 -10.8764 8.65014 8.75527 8.65014 -10.8617 GPRESSAVG: 3428200 -31.2208 5.61649 10.4031 2.89017 -11.6788 8.05206 8.17631 7.44582 -9.72402 TIMING: 3428200 CPU: 10252.9, 0.00302442/step Wall: 10252.9, 0.00302442/step, 1.3205 hours remaining, 205.289062 MB of memory in use. ENERGY: 3428200 702.4439 2109.9575 1945.2124 112.7923 -206547.7444 18038.3344 0.0000 0.0000 33972.3868 -149666.6172 296.6893 -183639.0040 -149566.5122 297.5422 281.4207 311.7521 555448.5459 -17.5581 -17.5412 LDB: ============= START OF LOAD BALANCING ============== 10256.3 LDB: ============== END OF LOAD BALANCING =============== 10256.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10256.3 LDB: ============= START OF LOAD BALANCING ============== 10256.6 LDB: Largest compute 4820 load 0.026957 is 22.8% of average load 0.118126 LDB: Average compute 0.001722 is 1.5% of average load 0.118126 LDB: TIME 10256.6 LOAD: AVG 0.118126 MAX 0.218167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.312 MB LDB: TIME 10256.6 LOAD: AVG 0.118126 MAX 0.218167 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.34 MB LDB: TIME 10256.6 LOAD: AVG 0.118126 MAX 0.218167 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.34 MB LDB: ============== END OF LOAD BALANCING =============== 10256.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10256.6 PRESSURE: 3428400 -173.058 -56.1083 98.6981 -56.1085 -79.3482 -13.4764 98.6985 -13.4758 -269.601 GPRESSURE: 3428400 -134.176 0.0463965 37.2054 -24.8191 -100.42 -99.5201 151.468 23.3851 -215.212 PRESSAVG: 3428400 -54.3053 21.7379 -42.0815 21.7379 -38.6014 22.5905 -42.0815 22.5905 22.0253 GPRESSAVG: 3428400 -55.0238 19.7259 -42.442 22.9357 -39.022 21.8948 -43.3847 21.9975 22.7155 TIMING: 3428400 CPU: 10253.5, 0.00312184/step Wall: 10253.5, 0.00312184/step, 1.36286 hours remaining, 205.218750 MB of memory in use. ENERGY: 3428400 751.6115 2115.8665 1955.9672 105.1747 -206436.3179 17740.9994 0.0000 0.0000 34001.7172 -149764.9815 296.9455 -183766.6986 -149672.6474 296.8948 -174.0025 -149.9361 556434.2072 -23.6271 -23.7768 PRESSURE: 3428600 26.5599 43.376 69.0937 43.3772 -4.91255 90.7082 69.094 90.7088 112.522 GPRESSURE: 3428600 31.5665 62.6274 18.3955 -10.5074 43.7028 121.685 98.1833 40.8535 161.12 PRESSAVG: 3428600 -51.2454 6.89759 -24.8463 6.89758 39.8328 -59.9433 -24.8464 -59.9433 30.6172 GPRESSAVG: 3428600 -50.3381 8.53165 -26.9885 6.02865 39.0392 -59.9842 -23.8013 -59.814 31.007 TIMING: 3428600 CPU: 10254.1, 0.00305525/step Wall: 10254.1, 0.00305525/step, 1.33362 hours remaining, 205.421875 MB of memory in use. ENERGY: 3428600 724.6181 2062.9731 1930.2744 104.6375 -206362.5618 17697.3183 0.0000 0.0000 33956.7047 -149886.0359 296.5523 -183842.7406 -149787.8345 297.1300 44.7233 78.7963 555051.5351 6.4015 6.5693 PRESSURE: 3428800 -17.4145 -164.752 -99.8823 -164.753 -22.6974 108.128 -99.8825 108.129 -277.546 GPRESSURE: 3428800 48.6458 -135.813 -222.272 -51.8171 -18.4922 78.9049 21.8283 123.308 -240.387 PRESSAVG: 3428800 17.2755 17.9414 -7.52271 17.9413 5.6225 21.0582 -7.52276 21.0582 -14.3175 GPRESSAVG: 3428800 16.8402 16.9566 -6.66489 17.2169 7.71792 22.611 -5.4483 20.2827 -15.9666 TIMING: 3428800 CPU: 10254.7, 0.00303612/step Wall: 10254.7, 0.00303612/step, 1.3251 hours remaining, 205.421875 MB of memory in use. ENERGY: 3428800 743.9974 2048.4191 1939.1331 108.7203 -206239.6491 17686.0907 0.0000 0.0000 33974.9735 -149738.3149 296.7119 -183713.2884 -149640.8629 297.3549 -105.8860 -70.0778 556354.2275 2.8602 2.8638 PRESSURE: 3429000 153.037 107.681 122.012 107.681 -34.7769 8.71558 122.012 8.71731 16.8458 GPRESSURE: 3429000 96.9664 97.886 94.5876 74.4285 23.8277 -14.6648 140.671 47.4115 116.006 PRESSAVG: 3429000 11.5596 -38.112 -33.6794 -38.112 9.82423 25.0122 -33.6793 25.0122 -17.0093 GPRESSAVG: 3429000 10.8921 -38.3009 -34.4438 -36.9219 8.80419 24.1733 -35.2829 26.411 -14.8754 TIMING: 3429000 CPU: 10255.3, 0.0029949/step Wall: 10255.3, 0.0029949/step, 1.30694 hours remaining, 205.421875 MB of memory in use. ENERGY: 3429000 749.7924 2031.2151 1943.5367 109.3617 -206510.2444 17949.4648 0.0000 0.0000 34021.3146 -149705.5590 297.1166 -183726.8736 -149614.1429 297.5756 45.0354 78.9333 555952.3679 1.4582 1.6069 PRESSURE: 3429200 -252.662 18.3521 -1.39865 18.3526 -138.058 12.591 -1.39803 12.592 -374.297 GPRESSURE: 3429200 -184.215 7.96082 -53.4362 -18.8376 -153.084 45.6038 9.0332 -10.845 -332.4 PRESSAVG: 3429200 -2.17166 -9.00117 -21.0095 -9.00117 23.5786 -12.0966 -21.0096 -12.0966 -11.4469 GPRESSAVG: 3429200 -1.86657 -7.61974 -19.942 -10.4011 24.5511 -11.6526 -21.4658 -12.6227 -12.1748 TIMING: 3429200 CPU: 10255.9, 0.00303549/step Wall: 10255.9, 0.00303549/step, 1.32448 hours remaining, 205.421875 MB of memory in use. ENERGY: 3429200 727.7026 2082.3589 1927.8688 120.7923 -206185.6270 17469.0599 0.0000 0.0000 34091.6881 -149766.1564 297.7312 -183857.8445 -149669.8593 298.0057 -255.0059 -223.2329 557866.2389 3.3200 3.5033 PRESSURE: 3429400 -201.873 110.741 62.1369 110.74 -295.539 -39.6284 62.1385 -39.6281 -130.124 GPRESSURE: 3429400 -219.48 114.922 30.6359 75.3091 -255.152 -23.3621 44.9119 -27.2041 -71.0734 PRESSAVG: 3429400 -0.26576 -34.7505 -57.3911 -34.7505 -13.2635 25.1363 -57.3912 25.1363 2.07677 GPRESSAVG: 3429400 0.712054 -36.0148 -56.9214 -33.6846 -14.2023 25.1236 -56.809 24.324 2.2716 TIMING: 3429400 CPU: 10256.5, 0.00303867/step Wall: 10256.5, 0.00303867/step, 1.3257 hours remaining, 205.421875 MB of memory in use. ENERGY: 3429400 737.1216 2073.5696 1946.4173 107.7594 -206290.9785 17534.8955 0.0000 0.0000 34315.8437 -149575.3713 299.6888 -183891.2150 -149478.9158 297.7234 -209.1789 -181.9018 557729.6372 -3.8175 -3.7395 PRESSURE: 3429600 0.333065 -79.7564 -139.46 -79.7568 -178.299 -80.7947 -139.46 -80.7965 -160.263 GPRESSURE: 3429600 43.6568 63.7206 -53.3625 -104.21 -174.575 -57.49 -133.234 -125.4 -117.421 PRESSAVG: 3429600 -24.5814 -8.76133 -28.9777 -8.7613 -13.7269 -17.963 -28.9777 -17.9629 67.9301 GPRESSAVG: 3429600 -25.3074 -7.57491 -29.2783 -8.55474 -13.3887 -16.255 -27.9949 -18.5218 68.301 TIMING: 3429600 CPU: 10257.1, 0.00304218/step Wall: 10257.1, 0.00304218/step, 1.32707 hours remaining, 205.421875 MB of memory in use. ENERGY: 3429600 748.7566 2008.2136 1925.5216 111.1498 -206360.2362 17643.9538 0.0000 0.0000 34090.1189 -149832.5219 297.7175 -183922.6408 -149741.1245 297.4815 -112.7428 -82.7796 557139.1706 9.8739 9.8683 PRESSURE: 3429800 -46.5942 93.8555 -62.5186 93.8554 20.3393 -47.5599 -62.5181 -47.5613 16.1757 GPRESSURE: 3429800 -24.5409 22.7125 9.71729 113.202 43.307 -47.9833 -121.44 -5.7318 75.978 PRESSAVG: 3429800 19.8555 9.51551 -23.072 9.51552 -46.2372 5.87406 -23.072 5.8739 -22.9075 GPRESSAVG: 3429800 18.6584 6.17674 -21.3109 9.95845 -47.7398 3.20634 -24.6988 6.91112 -20.969 TIMING: 3429800 CPU: 10257.8, 0.00303216/step Wall: 10257.8, 0.00303216/step, 1.32253 hours remaining, 205.421875 MB of memory in use. ENERGY: 3429800 722.7164 2047.8896 1940.6110 110.1400 -206113.0218 17787.6666 0.0000 0.0000 33793.6150 -149710.3832 295.1280 -183503.9982 -149618.8147 297.1917 -3.3597 31.5813 556618.8737 -16.4297 -16.6835 PRESSURE: 3430000 -110.821 190.024 -39.9435 190.024 102.167 -84.4394 -39.9433 -84.44 -99.1427 GPRESSURE: 3430000 -55.643 266.719 -215.035 127.835 119.134 -39.7716 -12.3603 -98.1976 -71.4205 PRESSAVG: 3430000 15.2654 66.2137 -43.8085 66.2137 -79.5552 -30.4337 -43.8086 -30.4337 70.9932 GPRESSAVG: 3430000 16.0744 66.4536 -45.8945 65.9041 -78.0436 -29.0917 -43.2253 -31.0008 68.494 TIMING: 3430000 CPU: 10258.4, 0.00305007/step Wall: 10258.4, 0.00305007/step, 1.33017 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: 3430000 715.9582 2039.5398 1914.9069 110.0831 -206220.1111 17666.1270 0.0000 0.0000 34302.9698 -149470.5264 299.5764 -183773.4962 -149372.9965 297.2691 -35.9320 -2.6432 556167.9897 2.2345 2.1749 PRESSURE: 3430200 184.974 28.0664 43.6212 28.0665 146.755 -28.3305 43.6216 -28.3303 411.849 GPRESSURE: 3430200 227.764 -23.8774 104.223 18.765 196.472 -107.895 -33.0047 13.9095 427.089 PRESSAVG: 3430200 -59.0386 58.1754 -8.42293 58.1754 21.5161 -9.96572 -8.42304 -9.96567 9.70537 GPRESSAVG: 3430200 -59.18 59.1896 -7.52346 57.6995 20.8859 -10.8822 -9.36803 -7.81828 9.83859 TIMING: 3430200 CPU: 10259, 0.00305421/step Wall: 10259, 0.00305421/step, 1.33181 hours remaining, 205.421875 MB of memory in use. ENERGY: 3430200 747.8144 2069.1221 1926.9572 102.0216 -206409.4574 18148.4497 0.0000 0.0000 33910.9772 -149504.1152 296.1530 -183415.0925 -149418.1710 298.3270 247.8593 283.7752 555997.7090 -9.2723 -9.4851 PRESSURE: 3430400 8.27995 67.7328 174.931 67.7326 -56.3017 -69.0643 174.93 -69.0631 106.227 GPRESSURE: 3430400 61.325 -27.8468 174.383 76.8881 18.6595 -98.8977 150.894 -47.1906 78.2531 PRESSAVG: 3430400 -69.724 15.408 75.0451 15.408 39.8884 -47.0235 75.0451 -47.0234 102.934 GPRESSAVG: 3430400 -69.4709 14.3395 75.371 14.9523 40.1003 -46.4737 76.202 -47.9177 102.487 TIMING: 3430400 CPU: 10259.6, 0.00304412/step Wall: 10259.6, 0.00304412/step, 1.32724 hours remaining, 205.421875 MB of memory in use. ENERGY: 3430400 732.4144 2044.2229 1945.8000 103.6183 -206809.7418 18077.8711 0.0000 0.0000 34311.7588 -149594.0563 299.6531 -183905.8151 -149511.4705 298.0160 19.4017 52.7459 557601.9671 24.3663 24.3722 PRESSURE: 3430600 -209.645 -284.568 -60.0571 -284.569 -275.692 81.2403 -60.0561 81.2422 -282.066 GPRESSURE: 3430600 -190.906 -233.067 -84.4058 -282.429 -217.882 76.7748 -44.7832 69.4196 -261.037 PRESSAVG: 3430600 -40.7121 -15.4525 -0.891871 -15.4525 1.56498 -18.4272 -0.891915 -18.4272 18.2037 GPRESSAVG: 3430600 -41.7253 -15.0803 -2.23528 -14.6425 1.50065 -17.4754 0.798621 -20.0105 19.2119 TIMING: 3430600 CPU: 10260.2, 0.00301002/step Wall: 10260.2, 0.00301002/step, 1.3122 hours remaining, 205.421875 MB of memory in use. ENERGY: 3430600 768.4049 2039.9082 1941.1930 110.4969 -206233.7177 17806.0970 0.0000 0.0000 34006.3124 -149561.3054 296.9856 -183567.6177 -149458.9667 298.3893 -255.8010 -223.2750 559565.0013 -6.9811 -7.0043 PRESSURE: 3430800 -349.944 -77.0206 -37.3222 -77.0217 -57.7367 67.5444 -37.3242 67.5446 -75.727 GPRESSURE: 3430800 -269.709 -112.213 -32.2192 12.2346 -54.9983 -4.9109 121.152 115.775 -45.0332 PRESSAVG: 3430800 -9.51803 -73.7634 -13.6451 -73.7634 -25.0295 -29.3405 -13.6451 -29.3406 37.6433 GPRESSAVG: 3430800 -9.69113 -75.8081 -12.5653 -72.1042 -24.1515 -29.6004 -14.1203 -28.6757 36.5444 TIMING: 3430800 CPU: 10260.8, 0.00300094/step Wall: 10260.8, 0.00300094/step, 1.30807 hours remaining, 205.421875 MB of memory in use. ENERGY: 3430800 752.6313 2082.7400 1972.5425 121.1539 -206251.2430 17635.1517 0.0000 0.0000 34183.3787 -149503.6449 298.5319 -183687.0236 -149404.1161 298.2738 -161.1359 -123.2469 557548.7710 1.0319 0.9006 PRESSURE: 3431000 9.85823 -42.423 -108.877 -42.423 78.5014 38.9423 -108.877 38.9435 23.4308 GPRESSURE: 3431000 105.915 -39.1663 -7.90119 39.9313 74.925 42.1289 -112.181 118.529 39.5792 PRESSAVG: 3431000 61.1294 -43.338 -16.0372 -43.338 -67.8567 -15.3413 -16.0373 -15.3414 -3.08506 GPRESSAVG: 3431000 63.8422 -41.0557 -15.3816 -44.4861 -69.4317 -17.6911 -18.3871 -14.7885 -4.19194 TIMING: 3431000 CPU: 10261.4, 0.00300049/step Wall: 10261.4, 0.00300049/step, 1.30771 hours remaining, 205.421875 MB of memory in use. ENERGY: 3431000 732.1498 2104.1331 1928.4858 105.6908 -206467.6641 18011.1857 0.0000 0.0000 34076.6243 -149509.3946 297.5996 -183586.0189 -149411.7879 298.6210 37.2635 73.4729 557559.3244 -3.2708 -3.2605 PRESSURE: 3431200 -116.357 214.05 5.38477 214.05 -47.4169 -2.25088 5.38474 -2.24843 -178.14 GPRESSURE: 3431200 -45.1365 223.881 -62.9491 289.724 -65.1427 24.0283 96.8044 -23.0549 -122.571 PRESSAVG: 3431200 -65.7245 36.3001 37.9191 36.3001 12.6902 -18.1681 37.919 -18.168 34.188 GPRESSAVG: 3431200 -67.6844 36.898 37.1497 33.8053 12.5071 -17.367 38.0153 -15.9871 36.3011 TIMING: 3431200 CPU: 10262, 0.00303265/step Wall: 10262, 0.00303265/step, 1.32156 hours remaining, 205.421875 MB of memory in use. ENERGY: 3431200 745.6801 2113.4900 1955.0807 108.7695 -206421.8900 17725.2681 0.0000 0.0000 34216.9883 -149556.6133 298.8255 -183773.6017 -149458.2372 298.0663 -113.9711 -77.6167 558255.2816 -6.2821 -6.2921 PRESSURE: 3431400 -33.447 6.10133 -82.482 6.10209 -5.26971 120.678 -82.4826 120.676 -8.04532 GPRESSURE: 3431400 4.18662 20.1069 -98.7498 -72.5544 43.5834 147.222 -115.843 113.921 7.848 PRESSAVG: 3431400 -52.9257 16.2564 -25.0071 16.2563 33.3958 -17.9318 -25.0071 -17.932 26.4008 GPRESSAVG: 3431400 -53.8145 17.165 -25.6051 18.2638 34.3998 -17.0172 -23.7229 -19.2359 26.3151 TIMING: 3431400 CPU: 10262.6, 0.00302369/step Wall: 10262.6, 0.00302369/step, 1.31749 hours remaining, 205.421875 MB of memory in use. ENERGY: 3431400 708.5302 2048.2428 1947.1332 108.8442 -206579.7389 17848.4665 0.0000 0.0000 34290.9760 -149627.5459 299.4716 -183918.5219 -149534.3090 298.5952 -15.5873 18.5394 556026.8573 2.2903 2.3001 PRESSURE: 3431600 -170.453 43.9292 71.6524 43.9291 -11.0538 -106.724 71.6518 -106.725 372.944 GPRESSURE: 3431600 -102.565 -29.8232 -17.1533 3.28835 33.5662 -58.775 100.301 -62.6303 356.938 PRESSAVG: 3431600 -48.5508 -25.4545 5.3237 -25.4545 18.3604 -25.934 5.32363 -25.9339 13.2468 GPRESSAVG: 3431600 -47.8872 -28.038 5.39808 -27.0118 17.5073 -25.9805 4.90579 -25.4876 13.6837 TIMING: 3431600 CPU: 10263.2, 0.00305269/step Wall: 10263.2, 0.00305269/step, 1.32996 hours remaining, 205.421875 MB of memory in use. ENERGY: 3431600 679.2688 2061.1057 1952.6456 112.7462 -206819.5841 17903.7257 0.0000 0.0000 34246.1070 -149863.9851 299.0798 -184110.0921 -149761.6366 297.3585 63.8126 95.9799 556578.5699 -5.6479 -5.5654 PRESSURE: 3431800 -48.2249 -90.0259 -136.035 -90.0253 162.938 55.5121 -136.037 55.5112 -89.2203 GPRESSURE: 3431800 -14.4136 -78.4972 -164.96 -84.0003 209.082 167.326 -72.6595 -64.5263 -71.7339 PRESSAVG: 3431800 -17.1054 -86.588 -43.4885 -86.588 19.0418 31.3665 -43.4885 31.3665 -1.44946 GPRESSAVG: 3431800 -16.6145 -85.118 -42.2407 -85.3331 19.3322 32.9113 -45.9467 28.3488 -1.8727 TIMING: 3431800 CPU: 10263.8, 0.00303233/step Wall: 10263.8, 0.00303233/step, 1.32092 hours remaining, 205.421875 MB of memory in use. ENERGY: 3431800 725.1725 2099.3802 1926.3082 121.6955 -206548.8008 17800.1076 0.0000 0.0000 33959.7024 -149916.4344 296.5785 -183876.1368 -149820.1688 297.6875 8.4977 40.9780 556879.8847 0.1623 0.2817 PRESSURE: 3432000 -4.54027 -65.4453 140.804 -65.4457 -23.0761 123.043 140.804 123.042 -2.21097 GPRESSURE: 3432000 71.7148 -94.0663 152.283 -89.8364 -2.74766 34.4993 104.504 163.437 -12.8856 PRESSAVG: 3432000 40.6918 23.2295 29.5693 23.2296 39.1807 10.6098 29.5694 10.6098 -46.4018 GPRESSAVG: 3432000 39.7823 23.8597 29.6735 22.928 39.6147 10.0009 29.8565 10.4709 -46.1228 TIMING: 3432000 CPU: 10264.4, 0.00302141/step Wall: 10264.4, 0.00302141/step, 1.31599 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: 3432000 741.1701 2090.1937 1948.0482 124.5888 -206580.3368 17848.4427 0.0000 0.0000 34058.3426 -149769.5506 297.4400 -183827.8932 -149668.8808 297.6737 -9.9424 18.6938 556658.5968 11.1569 11.0914 PRESSURE: 3432200 -141.449 -176.162 98.0811 -176.163 -95.9834 -53.5477 98.0796 -53.546 -84.7844 GPRESSURE: 3432200 -61.8689 -173.818 195.35 -175.357 -62.6767 -79.2629 18.349 -134.738 -101.658 PRESSAVG: 3432200 -11.2698 -43.1487 -34.6335 -43.1487 -17.5021 34.4844 -34.6334 34.4843 28.4668 GPRESSAVG: 3432200 -10.0916 -43.9992 -35.7636 -43.1276 -17.9951 35.0456 -32.3713 35.652 27.4277 TIMING: 3432200 CPU: 10265, 0.00303192/step Wall: 10265, 0.00303192/step, 1.3204 hours remaining, 205.421875 MB of memory in use. ENERGY: 3432200 741.4932 2063.6905 1917.7958 95.4727 -206392.0863 17586.5734 0.0000 0.0000 34158.3743 -149828.6865 298.3136 -183987.0607 -149727.4110 297.0334 -107.4055 -75.4011 557044.9821 -0.1017 -0.2197 LDB: ============= START OF LOAD BALANCING ============== 10268.5 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10268.5 LDB: =============== DONE WITH MIGRATION ================ 10268.5 LDB: ============= START OF LOAD BALANCING ============== 10268.8 LDB: Largest compute 4820 load 0.026715 is 22.6% of average load 0.118098 LDB: Average compute 0.001716 is 1.5% of average load 0.118098 LDB: TIME 10268.8 LOAD: AVG 0.118098 MAX 0.21704 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.242 MB LDB: TIME 10268.8 LOAD: AVG 0.118098 MAX 0.21704 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.242 MB LDB: TIME 10268.8 LOAD: AVG 0.118098 MAX 0.21704 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.242 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10268.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10268.8 PRESSURE: 3432400 1.78761 6.92731 20.881 6.92632 -59.0689 -22.4706 20.8806 -22.471 75.091 GPRESSURE: 3432400 11.0482 18.6822 108.307 -7.0438 -34.721 40.6887 -127.147 -15.9573 150.596 PRESSAVG: 3432400 -11.1378 3.63196 28.3227 3.63192 -1.45348 37.7999 28.3227 37.7999 -7.76357 GPRESSAVG: 3432400 -11.5179 3.7207 29.0476 3.28347 -1.78194 37.0038 24.2622 37.481 -7.53879 TIMING: 3432400 CPU: 10265.6, 0.00308464/step Wall: 10265.6, 0.00308464/step, 1.34319 hours remaining, 206.500000 MB of memory in use. ENERGY: 3432400 733.0613 2043.2412 1918.5521 104.5942 -206243.9062 17715.6108 0.0000 0.0000 34066.8692 -149661.9775 297.5144 -183728.8467 -149565.5902 297.4249 5.9366 42.3078 557436.7998 -6.7849 -6.9462 PRESSURE: 3432600 -34.6332 -39.0813 78.3269 -39.0807 -196.589 -162.04 78.3275 -162.039 -156.101 GPRESSURE: 3432600 -7.0869 -19.8011 98.697 -8.89375 -207.107 -104.731 -2.14908 -145.899 -70.8523 PRESSAVG: 3432600 -0.0625348 -33.8811 36.0458 -33.8812 -37.4751 65.8603 36.0458 65.8603 0.814032 GPRESSAVG: 3432600 0.689855 -34.1441 33.363 -33.5777 -37.5387 65.2216 39.1206 66.4047 0.445694 TIMING: 3432600 CPU: 10266.2, 0.00301086/step Wall: 10266.2, 0.00301086/step, 1.3109 hours remaining, 206.703125 MB of memory in use. ENERGY: 3432600 781.8172 2114.9253 1900.2194 106.2819 -206472.6857 17847.7095 0.0000 0.0000 34049.5443 -149672.1882 297.3631 -183721.7325 -149577.9118 297.4104 -129.1077 -95.0156 558872.3524 -12.2412 -12.1344 PRESSURE: 3432800 202.956 -0.34866 30.295 -0.348684 233.75 -26.4253 30.2942 -26.4256 -173.483 GPRESSURE: 3432800 275.147 -33.7548 2.01638 45.2371 305.878 -4.36322 41.1632 -64.697 -219.993 PRESSAVG: 3432800 68.0861 20.1033 -8.1288 20.1033 -0.21862 20.2832 -8.12891 20.2833 -51.7947 GPRESSAVG: 3432800 67.7161 20.1747 -7.49108 19.9328 -0.577233 19.4518 -9.11273 20.2335 -51.2724 TIMING: 3432800 CPU: 10266.8, 0.00299803/step Wall: 10266.8, 0.00299803/step, 1.30514 hours remaining, 206.703125 MB of memory in use. ENERGY: 3432800 733.0380 2061.9612 1933.4266 114.3274 -206589.9785 18071.4256 0.0000 0.0000 34109.1789 -149566.6209 297.8839 -183675.7998 -149469.7946 297.7148 87.7409 120.3440 557100.1416 5.3576 5.2888 PRESSURE: 3433000 -350.626 130.911 -126.542 130.912 45.0111 -5.5965 -126.542 -5.59639 -66.948 GPRESSURE: 3433000 -326.113 60.2199 -112.292 224.501 68.2857 -41.4756 -137.08 26.2862 -22.075 PRESSAVG: 3433000 51.4375 -22.4773 -2.137 -22.4774 1.94014 -65.6085 -2.13697 -65.6085 -47.1743 GPRESSAVG: 3433000 51.7125 -22.9394 0.148631 -21.9116 2.9139 -63.2422 -1.9433 -64.9486 -48.3479 TIMING: 3433000 CPU: 10267.4, 0.00299822/step Wall: 10267.4, 0.00299822/step, 1.30506 hours remaining, 206.703125 MB of memory in use. ENERGY: 3433000 765.4551 2123.2052 1952.4653 117.3059 -206436.1847 17739.7949 0.0000 0.0000 34156.4389 -149581.5194 298.2967 -183737.9583 -149484.6546 297.8110 -124.1878 -93.3009 557193.2623 2.0678 2.0928 PRESSURE: 3433200 -167.299 94.7526 -108.173 94.7516 -93.7853 -183.087 -108.173 -183.085 -66.0646 GPRESSURE: 3433200 -126.269 95.4632 -126.076 143.721 -82.9421 -246.815 -86.0979 -71.87 -26.1195 PRESSAVG: 3433200 5.93023 51.6345 -38.8314 51.6346 41.3404 -20.6884 -38.8314 -20.6884 -31.3825 GPRESSAVG: 3433200 5.59883 50.0343 -37.2144 52.4865 40.6355 -20.4335 -39.4775 -22.8803 -30.4869 TIMING: 3433200 CPU: 10268.1, 0.00302448/step Wall: 10268.1, 0.00302448/step, 1.31632 hours remaining, 206.703125 MB of memory in use. ENERGY: 3433200 737.7019 2132.9273 1930.7951 118.0808 -205988.4027 17593.9274 0.0000 0.0000 34029.2459 -149445.7243 297.1859 -183474.9702 -149352.0893 298.5599 -109.0496 -78.4435 557346.4948 5.2960 5.2491 PRESSURE: 3433400 -331.79 -160.302 -87.4093 -160.303 -326.373 -66.587 -87.4094 -66.5876 -339.58 GPRESSURE: 3433400 -326.196 -108.12 -175.44 -128.519 -280.916 -121.45 -81.3363 -31.5159 -282.182 PRESSAVG: 3433400 -67.6774 20.3761 -11.783 20.376 -6.13056 18.9427 -11.7831 18.9427 39.9724 GPRESSAVG: 3433400 -67.724 22.4818 -14.3409 19.6838 -6.82657 15.8681 -12.6574 22.5076 40.4508 TIMING: 3433400 CPU: 10268.7, 0.00304913/step Wall: 10268.7, 0.00304913/step, 1.32688 hours remaining, 206.703125 MB of memory in use. ENERGY: 3433400 768.9583 2083.9789 1949.7822 107.0831 -205574.1702 17375.1472 0.0000 0.0000 34068.4870 -149220.7336 297.5286 -183289.2206 -149130.0211 298.6191 -332.5812 -296.4312 559653.4860 -11.2785 -11.3666 PRESSURE: 3433600 -137.273 -23.3642 -56.5419 -23.3648 -380.36 18.9749 -56.5429 18.974 -178.267 GPRESSURE: 3433600 -128.599 -70.8902 -120.295 39.4618 -363.833 40.2153 -13.2323 28.8388 -100.531 PRESSAVG: 3433600 -28.6286 35.5534 41.5318 35.5534 17.7236 45.3008 41.5318 45.3008 -4.30354 GPRESSAVG: 3433600 -28.3612 33.7981 40.6946 36.6202 18.4158 48.5316 43.4878 42.2379 -5.80326 TIMING: 3433600 CPU: 10269.3, 0.00304384/step Wall: 10269.3, 0.00304384/step, 1.32441 hours remaining, 206.703125 MB of memory in use. ENERGY: 3433600 766.7543 2060.8257 1955.7246 119.7167 -205790.0817 17593.6844 0.0000 0.0000 34194.4713 -149098.9047 298.6288 -183293.3760 -149005.7097 299.0132 -231.9668 -197.6545 560304.0301 -5.0695 -5.2496 PRESSURE: 3433800 -462.348 -95.8239 -1.48346 -95.8238 -344.687 -185.085 -1.4849 -185.087 -359.149 GPRESSURE: 3433800 -365.169 -140.096 -22.749 39.3855 -310.925 -118.419 -64.8089 -93.3239 -395.73 PRESSAVG: 3433800 42.338 -31.2466 -41.9201 -31.2467 -51.0865 33.4974 -41.9201 33.4974 15.3846 GPRESSAVG: 3433800 42.4821 -29.8978 -41.1584 -32.5146 -52.1494 33.8462 -43.6342 34.0305 16.1922 TIMING: 3433800 CPU: 10269.9, 0.00302152/step Wall: 10269.9, 0.00302152/step, 1.31453 hours remaining, 206.703125 MB of memory in use. ENERGY: 3433800 740.0091 2081.1043 1941.8679 117.5135 -205403.4910 17254.8511 0.0000 0.0000 34200.4926 -149067.6526 298.6814 -183268.1451 -148971.0808 299.0024 -388.7281 -357.2744 558878.9950 2.2120 2.1749 PRESSURE: 3434000 -156.05 -27.3379 31.2592 -27.3388 46.2251 4.43088 31.2602 4.43209 72.6754 GPRESSURE: 3434000 -144.401 -3.68586 -140.768 66.927 99.7349 -76.2695 73.9615 18.4176 106.308 PRESSAVG: 3434000 -18.9604 16.2144 14.4864 16.2144 -26.7551 -30.0349 14.4864 -30.0348 30.1276 GPRESSAVG: 3434000 -20.83 17.01 13.0977 16.2037 -25.5374 -31.8475 16.7771 -30.2617 30.8438 TIMING: 3434000 CPU: 10270.5, 0.00300714/step Wall: 10270.5, 0.00300714/step, 1.30811 hours remaining, 206.703125 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: 3434000 791.2377 2043.6769 1936.9151 125.1088 -205955.1777 17775.2386 0.0000 0.0000 34377.0019 -148905.9987 300.2229 -183283.0006 -148816.7900 299.1608 -12.3831 20.5473 557501.6305 -5.1960 -5.1745 PRESSURE: 3434200 52.4559 245.158 -100.302 245.159 -193.264 -141.884 -100.301 -141.884 -127.012 GPRESSURE: 3434200 29.2329 182.828 -63.0052 261.767 -141.596 -79.714 26.0353 -106.984 -34.2415 PRESSAVG: 3434200 -9.64851 -4.3326 28.2229 -4.3325 -50.5594 6.02241 28.223 6.02259 65.4056 GPRESSAVG: 3434200 -8.58932 -6.3775 31.6313 -2.86236 -50.0147 6.18877 26.4417 6.98439 63.5677 TIMING: 3434200 CPU: 10271.1, 0.00304283/step Wall: 10271.1, 0.00304283/step, 1.32346 hours remaining, 206.703125 MB of memory in use. ENERGY: 3434200 738.7871 2088.5508 1994.3601 106.9707 -205903.3255 17612.7842 0.0000 0.0000 34494.3262 -148867.5464 301.2475 -183361.8727 -148768.8374 299.6695 -89.2733 -48.8684 558806.0259 1.7326 1.6546 PRESSURE: 3434400 19.8815 11.7464 13.621 11.7463 -153.873 -97.3786 13.621 -97.3772 -52.3806 GPRESSURE: 3434400 -3.56393 35.7013 -51.0646 63.6458 -109.113 -5.64462 65.351 -174.27 19.9051 PRESSAVG: 3434400 -44.588 3.51058 -22.918 3.51054 -46.1703 -24.2223 -22.918 -24.2223 29.6762 GPRESSAVG: 3434400 -43.9731 4.26489 -24.8659 1.43455 -46.9223 -24.8193 -24.8427 -24.0836 30.0417 TIMING: 3434400 CPU: 10271.7, 0.00302914/step Wall: 10271.7, 0.00302914/step, 1.31734 hours remaining, 206.703125 MB of memory in use. ENERGY: 3434400 758.1508 2101.2367 1947.5550 119.8909 -205606.6732 17600.6113 0.0000 0.0000 34284.8427 -148794.3857 299.4181 -183079.2285 -148703.6788 300.2780 -62.1239 -30.9239 558020.9558 -20.3607 -20.2846 PRESSURE: 3434600 -16.5946 -23.0561 -60.7216 -23.0553 70.6988 74.511 -60.7225 74.5098 42.5546 GPRESSURE: 3434600 67.7137 -3.6951 -70.8373 -11.9855 49.7108 82.3481 -65.4776 -0.650359 58.2734 PRESSAVG: 3434600 -25.2684 -0.763735 5.43796 -0.763748 -11.6093 1.20005 5.43788 1.20022 73.1084 GPRESSAVG: 3434600 -27.5108 1.01496 2.16833 1.09262 -10.2236 1.4698 9.3821 -0.00860767 73.7439 TIMING: 3434600 CPU: 10272.3, 0.00306844/step Wall: 10272.3, 0.00306844/step, 1.33426 hours remaining, 206.703125 MB of memory in use. ENERGY: 3434600 741.8615 2063.3486 1963.3601 108.0680 -205593.9226 17609.2982 0.0000 0.0000 34280.4338 -148827.5524 299.3796 -183107.9862 -148732.6816 301.0464 32.2196 58.5659 558435.2986 12.0769 12.0032 PRESSURE: 3434800 63.0124 -57.8261 144.923 -57.8265 -61.4824 35.7794 144.922 35.7806 -50.1484 GPRESSURE: 3434800 83.8885 -160.257 119.707 -24.1694 -43.3226 -49.4295 99.8374 92.0598 9.15984 PRESSAVG: 3434800 0.788436 -21.9532 5.95635 -21.9533 -35.1369 -61.0236 5.95637 -61.0236 5.84974 GPRESSAVG: 3434800 2.69523 -22.9992 9.44766 -22.4765 -35.4762 -60.6524 3.6344 -61.4877 5.00309 TIMING: 3434800 CPU: 10272.9, 0.0030645/step Wall: 10272.9, 0.0030645/step, 1.33237 hours remaining, 206.703125 MB of memory in use. ENERGY: 3434800 688.7657 2098.2605 1959.3559 109.6639 -205947.5899 17863.1352 0.0000 0.0000 34481.4285 -148746.9803 301.1349 -183228.4088 -148652.3323 300.8052 -16.2062 16.5753 559676.9605 -9.4996 -9.2593 PRESSURE: 3435000 107.022 -60.7192 -4.97309 -60.719 -129.67 -50.5702 -4.97354 -50.57 -200.026 GPRESSURE: 3435000 70.6337 6.52927 -96.305 -53.7908 -40.6043 -55.5044 8.76268 -16.4806 -157.941 PRESSAVG: 3435000 7.32616 -72.3458 -10.6083 -72.3459 -32.0752 -6.85138 -10.6082 -6.8514 35.2793 GPRESSAVG: 3435000 6.77999 -71.7092 -11.5074 -74.09 -32.3281 -7.04411 -10.3532 -4.51529 36.0127 TIMING: 3435000 CPU: 10273.5, 0.00310851/step Wall: 10273.5, 0.00310851/step, 1.35134 hours remaining, 206.703125 MB of memory in use. ENERGY: 3435000 731.6207 2054.8795 1954.0606 120.4509 -205976.0218 17699.4531 0.0000 0.0000 34601.2969 -148814.2601 302.1817 -183415.5571 -148717.1888 300.7689 -74.2249 -42.6373 557407.7691 3.5101 3.4882 PRESSURE: 3435200 179.118 53.0566 -78.1656 53.0567 -5.78975 132.329 -78.1654 132.331 -183.425 GPRESSURE: 3435200 211.852 8.10938 9.4087 8.69739 13.3168 151.351 -70.9111 135.168 -145.27 PRESSAVG: 3435200 -23.3707 18.3327 1.65331 18.3327 -23.1821 -6.90724 1.65331 -6.90716 6.36145 GPRESSAVG: 3435200 -23.4913 17.9768 2.07197 17.5372 -22.4135 -5.78415 1.84507 -7.52409 5.93431 TIMING: 3435200 CPU: 10274.1, 0.00304635/step Wall: 10274.1, 0.00304635/step, 1.32415 hours remaining, 206.703125 MB of memory in use. ENERGY: 3435200 711.4978 2045.9976 1946.7489 110.9264 -205997.9821 17852.9892 0.0000 0.0000 34438.8697 -148890.9525 300.7632 -183329.8222 -148790.9083 300.9537 -3.3656 26.6329 558153.9364 -13.3971 -13.3235 PRESSURE: 3435400 -140.992 128.241 -3.19639 128.239 83.3127 -30.8508 -3.19645 -30.8513 213.381 GPRESSURE: 3435400 -88.8381 144.899 -3.60093 107.463 147.323 -12.7473 -102.462 -38.9393 194.696 PRESSAVG: 3435400 -42.988 32.8356 -17.7604 32.8356 -34.1405 64.5868 -17.7604 64.5868 81.8657 GPRESSAVG: 3435400 -42.7035 31.9662 -18.8912 34.9535 -34.7589 64.9259 -18.2773 63.9836 81.4708 TIMING: 3435400 CPU: 10274.8, 0.00304209/step Wall: 10274.8, 0.00304209/step, 1.32213 hours remaining, 206.703125 MB of memory in use. ENERGY: 3435400 725.2038 2064.4919 1941.2796 111.9676 -205786.7286 17732.9774 0.0000 0.0000 34065.6580 -149145.1502 297.5039 -183210.8082 -149048.1366 299.4628 51.9008 84.3936 558303.3225 1.5791 1.3362 PRESSURE: 3435600 -71.3099 138.217 72.8588 138.217 -168.539 -53.5073 72.8577 -53.506 -91.6525 GPRESSURE: 3435600 -15.8003 94.0502 38.7208 130.521 -118.795 -96.2297 67.39 55.8738 -87.8186 PRESSAVG: 3435600 2.90119 0.193713 23.2169 0.193694 24.7356 4.1397 23.217 4.13973 -19.6826 GPRESSAVG: 3435600 1.9907 0.47659 25.2254 -0.438295 24.9075 3.05027 22.5862 4.27754 -18.8305 TIMING: 3435600 CPU: 10275.4, 0.00302332/step Wall: 10275.4, 0.00302332/step, 1.3138 hours remaining, 206.703125 MB of memory in use. ENERGY: 3435600 763.4920 2076.6749 1956.1624 117.7174 -206094.7642 17750.9392 0.0000 0.0000 34293.4916 -149136.2867 299.4936 -183429.7783 -149047.9801 299.4823 -110.5004 -74.1381 556968.2261 2.6514 2.6892 PRESSURE: 3435800 176.428 -73.9995 -195.698 -73.9994 37.4853 -9.19363 -195.699 -9.19396 149.188 GPRESSURE: 3435800 228.213 -159.386 -272.419 -10.0239 65.6157 0.403035 -114.401 -36.986 175.044 PRESSAVG: 3435800 41.6795 50.917 -23.9065 50.9169 -91.4431 52.271 -23.9065 52.271 4.62932 GPRESSAVG: 3435800 43.4218 51.4259 -23.9755 51.8247 -92.6078 52.3235 -24.8603 50.7395 4.12119 TIMING: 3435800 CPU: 10276, 0.00304531/step Wall: 10276, 0.00304531/step, 1.32319 hours remaining, 206.703125 MB of memory in use. ENERGY: 3435800 707.8551 2085.4857 1963.2247 112.4586 -206289.3462 17951.2144 0.0000 0.0000 34160.1611 -149308.9466 298.3292 -183469.1077 -149219.4911 299.1798 121.0336 156.2910 557344.5680 -15.0448 -15.0216 PRESSURE: 3436000 198.7 15.5479 119.56 15.5467 188.096 107.871 119.559 107.872 212.7 GPRESSURE: 3436000 276.641 26.7944 73.2915 14.6535 234.598 71.2929 72.9734 76.2229 177.377 PRESSAVG: 3436000 49.5173 38.1344 -51.0811 38.1344 -87.0638 52.3846 -51.0811 52.3845 -23.3585 GPRESSAVG: 3436000 47.6812 38.275 -52.3044 35.9859 -86.5102 52.8944 -50.7097 52.5687 -22.3806 TIMING: 3436000 CPU: 10276.6, 0.00303878/step Wall: 10276.6, 0.00303878/step, 1.32018 hours remaining, 206.703125 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: 3436000 731.1759 2082.9669 1954.3621 106.5506 -206411.9159 18121.6779 0.0000 0.0000 33957.2487 -149457.9339 296.5571 -183415.1826 -149363.2023 298.3714 199.8317 229.5384 556575.0157 -20.3017 -20.4032 PRESSURE: 3436200 -135.261 45.0685 -5.53478 45.0685 -144.05 103.734 -5.5343 103.735 -84.7696 GPRESSURE: 3436200 -132.41 86.8047 21.2045 0.848765 -138.51 29.5966 11.6357 82.3746 0.483981 PRESSAVG: 3436200 61.0058 -0.652829 19.3735 -0.652698 -53.2213 62.6811 19.3735 62.6811 -23.9126 GPRESSAVG: 3436200 61.5186 0.784664 19.9652 -0.531881 -53.8225 62.5165 19.1801 64.5846 -23.8274 TIMING: 3436200 CPU: 10277.2, 0.00302045/step Wall: 10277.2, 0.00302045/step, 1.31205 hours remaining, 206.703125 MB of memory in use. ENERGY: 3436200 743.9525 2074.9095 1934.7842 116.9659 -206012.5778 17635.9623 0.0000 0.0000 33999.8978 -149506.1056 296.9296 -183506.0034 -149410.2726 298.1336 -121.3601 -90.1456 557882.2522 -5.3760 -5.3771 LDB: ============= START OF LOAD BALANCING ============== 10280.6 LDB: ============== END OF LOAD BALANCING =============== 10280.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10280.6 LDB: ============= START OF LOAD BALANCING ============== 10280.9 LDB: Largest compute 4820 load 0.027657 is 23.4% of average load 0.118097 LDB: Average compute 0.001718 is 1.5% of average load 0.118097 LDB: TIME 10280.9 LOAD: AVG 0.118097 MAX 0.218299 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.531 MB LDB: TIME 10280.9 LOAD: AVG 0.118097 MAX 0.218299 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.531 MB LDB: TIME 10280.9 LOAD: AVG 0.118097 MAX 0.218299 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.531 MB LDB: ============== END OF LOAD BALANCING =============== 10280.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10280.9 PRESSURE: 3436400 33.8804 285.072 -94.704 285.072 -120.514 -76.1554 -94.7046 -76.1555 201.361 GPRESSURE: 3436400 -5.58709 339.001 -70.8737 273.799 -54.1856 -205.226 -156.37 18.8883 265.117 PRESSAVG: 3436400 39.9051 22.1401 62.674 22.14 -22.0682 21.514 62.6741 21.514 -80.3904 GPRESSAVG: 3436400 39.909 21.1895 61.9531 21.8312 -21.5012 21.1398 62.696 19.8266 -81.3056 TIMING: 3436400 CPU: 10277.8, 0.00311099/step Wall: 10277.8, 0.00311099/step, 1.35121 hours remaining, 205.277344 MB of memory in use. ENERGY: 3436400 725.8596 2055.2961 1949.6530 117.1346 -206456.0498 17876.2404 0.0000 0.0000 34369.8315 -149362.0346 300.1603 -183731.8661 -149266.8477 298.0253 38.2426 68.4481 557755.3508 -20.8512 -20.9660 PRESSURE: 3436600 169.299 80.5126 -124.539 80.5119 -5.78003 70.3591 -124.54 70.3573 -4.47026 GPRESSURE: 3436600 223.094 110.286 -154.73 -17.5069 7.25957 59.1762 -94.0394 -2.18819 39.9394 PRESSAVG: 3436600 -17.062 -18.3856 -8.94588 -18.3857 59.8264 -13.8854 -8.94593 -13.8854 -19.5362 GPRESSAVG: 3436600 -16.914 -17.5556 -7.31291 -18.2241 58.8785 -13.1451 -9.00357 -12.7106 -18.6525 TIMING: 3436600 CPU: 10278.4, 0.00307168/step Wall: 10278.4, 0.00307169/step, 1.33396 hours remaining, 205.277344 MB of memory in use. ENERGY: 3436600 723.9529 2139.9489 1973.5142 108.4643 -206286.2831 17940.8145 0.0000 0.0000 34145.5881 -149254.0003 298.2019 -183399.5883 -149163.2535 298.5287 53.0162 90.0977 557998.4516 7.7427 7.7707 PRESSURE: 3436800 -145.44 -34.7833 -27.5728 -34.7819 -89.5568 117.762 -27.5733 117.763 -332.974 GPRESSURE: 3436800 -78.0022 -59.2345 -32.7216 -49.1307 -84.0707 82.9644 -116.312 113.503 -318.555 PRESSAVG: 3436800 41.4007 -40.866 -20.2127 -40.866 2.95778 34.1313 -20.2127 34.1313 -12.7268 GPRESSAVG: 3436800 41.6195 -40.3348 -21.0487 -39.2699 4.24427 34.4209 -20.1991 33.5416 -14.6731 TIMING: 3436800 CPU: 10279, 0.00302594/step Wall: 10279, 0.00302594/step, 1.31393 hours remaining, 205.277344 MB of memory in use. ENERGY: 3436800 756.6073 2124.7635 1928.2593 106.9937 -206409.2212 17720.6453 0.0000 0.0000 34358.9705 -149412.9815 300.0654 -183771.9521 -149315.4811 298.4927 -189.3238 -160.2092 555265.4632 10.5439 10.3969 PRESSURE: 3437000 -101.777 -163.758 -28.6783 -163.759 286.563 -5.22691 -28.6771 -5.22663 -147.332 GPRESSURE: 3437000 -47.8882 -127.121 4.64348 -134.54 248.274 -35.0213 -71.1505 -24.0781 -73.7218 PRESSAVG: 3437000 -9.3118 -15.2674 60.8168 -15.2674 34.0682 16.3049 60.8168 16.305 -38.6847 GPRESSAVG: 3437000 -8.00892 -16.089 61.1726 -14.7782 32.0133 17.6288 60.5007 15.3248 -37.8182 TIMING: 3437000 CPU: 10279.6, 0.00304901/step Wall: 10279.6, 0.00304901/step, 1.32378 hours remaining, 205.277344 MB of memory in use. ENERGY: 3437000 745.2760 2060.9424 1944.1718 108.2966 -206179.7602 17763.5108 0.0000 0.0000 34183.5105 -149374.0521 298.5331 -183557.5626 -149276.6787 298.7375 12.4846 42.2215 557305.6933 -4.6428 -4.6046 PRESSURE: 3437200 -104.403 -104.272 -100.998 -104.271 -115.292 -41.0271 -100.998 -41.0269 15.677 GPRESSURE: 3437200 -110.778 -138.127 -128.758 -101.482 -50.7407 -25.2275 -76.3307 -91.9952 49.086 PRESSAVG: 3437200 34.8753 -67.2522 6.11353 -67.2521 -79.8009 -5.34338 6.11357 -5.34328 -2.62358 GPRESSAVG: 3437200 33.3869 -65.9309 4.9517 -68.4656 -78.981 -7.94977 7.05537 -5.13261 -2.3322 TIMING: 3437200 CPU: 10280.2, 0.00305009/step Wall: 10280.2, 0.00305009/step, 1.32408 hours remaining, 205.277344 MB of memory in use. ENERGY: 3437200 759.8282 2114.1078 1981.5979 129.5343 -206507.3139 17821.8218 0.0000 0.0000 34161.7425 -149538.6814 298.3430 -183700.4239 -149443.9439 298.1522 -68.0060 -37.4774 557538.6884 -15.8497 -15.9754 PRESSURE: 3437400 -164.725 -100.29 19.0316 -100.29 22.6774 140.967 19.0303 140.968 93.7606 GPRESSURE: 3437400 -124.574 -58.6554 43.5218 -122.385 8.83603 151.936 -16.2746 48.1925 166.214 PRESSAVG: 3437400 12.1643 -13.6826 -10.6909 -13.6826 -28.8565 39.0964 -10.6909 39.0965 41.5484 GPRESSAVG: 3437400 11.9934 -16.4931 -10.0049 -13.6039 -27.8094 40.317 -10.9161 38.7339 41.04 TIMING: 3437400 CPU: 10280.9, 0.00304294/step Wall: 10280.9, 0.00304294/step, 1.32081 hours remaining, 205.277344 MB of memory in use. ENERGY: 3437400 732.2952 2142.8105 1930.5851 114.7111 -206216.4031 17670.3316 0.0000 0.0000 34121.7312 -149503.9384 297.9936 -183625.6695 -149409.8238 298.7123 -16.0956 16.8252 556836.0939 8.2854 8.4080 PRESSURE: 3437600 71.5098 134.71 -112.272 134.71 103.96 -37.3202 -112.273 -37.3199 14.8595 GPRESSURE: 3437600 128.078 133.208 -58.9923 141.698 58.4387 73.4462 -186.376 -94.6608 97.1711 PRESSAVG: 3437600 -44.1906 -1.24184 -34.5985 -1.24186 22.3691 -29.4717 -34.5984 -29.4717 -16.655 GPRESSAVG: 3437600 -42.3023 1.05508 -37.0296 -1.42107 20.1827 -30.5384 -34.0193 -26.6594 -16.4689 TIMING: 3437600 CPU: 10281.5, 0.00304621/step Wall: 10281.5, 0.00304621/step, 1.32206 hours remaining, 205.277344 MB of memory in use. ENERGY: 3437600 713.0688 2095.5271 1945.7962 113.8032 -206471.4324 18032.4676 0.0000 0.0000 34125.3598 -149445.4097 298.0253 -183570.7695 -149350.9835 298.3850 63.4429 94.5625 557619.1056 -12.8255 -12.8628 PRESSURE: 3437800 -92.9811 77.0038 -53.3049 77.0034 101.362 -29.1824 -53.306 -29.1815 -187.322 GPRESSURE: 3437800 -88.8692 50.0927 -28.1695 75.264 98.5142 -83.7949 -93.3396 -44.8844 -94.6952 PRESSAVG: 3437800 15.6832 -34.9293 -79.6449 -34.9293 11.7622 -36.1529 -79.6449 -36.1528 -62.7412 GPRESSAVG: 3437800 13.9906 -33.8469 -74.6228 -35.7795 13.3005 -35.5557 -81.854 -38.015 -63.4961 TIMING: 3437800 CPU: 10282.1, 0.00305869/step Wall: 10282.1, 0.00305869/step, 1.3273 hours remaining, 205.277344 MB of memory in use. ENERGY: 3437800 715.1314 2099.0001 1969.7082 105.1513 -206442.9545 17846.4116 0.0000 0.0000 34257.0243 -149450.5277 299.1751 -183707.5520 -149349.7414 298.3175 -59.6470 -28.3501 558301.7928 -11.7653 -12.0683 PRESSURE: 3438000 128.519 221.917 126.252 221.918 -20.3454 -79.4964 126.252 -79.4964 -33.8424 GPRESSURE: 3438000 126.752 271.609 59.6332 283.308 -22.1002 13.7516 107.499 -121.555 66.5644 PRESSAVG: 3438000 29.0726 26.4503 -40.4708 26.4502 20.6057 13.5904 -40.4708 13.5904 -40.0242 GPRESSAVG: 3438000 29.2068 24.8944 -43.7368 27.5843 20.1287 13.2474 -39.0536 14.473 -39.4692 TIMING: 3438000 CPU: 10282.7, 0.00305383/step Wall: 10282.7, 0.00305383/step, 1.32502 hours remaining, 205.277344 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: 3438000 740.3269 2068.9900 1954.8820 113.6888 -206375.4770 17899.4497 0.0000 0.0000 34126.4643 -149471.6754 298.0349 -183598.1396 -149375.7816 298.2606 24.7769 57.0720 557808.6791 3.2180 3.2888 PRESSURE: 3438200 37.8732 -57.0254 -47.9422 -57.0272 -323.017 110.528 -47.9426 110.529 152.498 GPRESSURE: 3438200 121.857 -23.2896 0.780783 -135.717 -320.043 82.8556 -30.5813 104.945 165.469 PRESSAVG: 3438200 -15.0901 22.8754 26.1389 22.8754 -20.8095 3.4067 26.1389 3.40658 10.3789 GPRESSAVG: 3438200 -14.9804 21.5491 25.8009 23.9302 -20.4519 5.18825 26.2926 1.93277 9.63434 TIMING: 3438200 CPU: 10283.3, 0.00306897/step Wall: 10283.3, 0.00306897/step, 1.33142 hours remaining, 205.277344 MB of memory in use. ENERGY: 3438200 733.3759 2078.0161 1949.8297 113.1200 -206564.4422 17829.8450 0.0000 0.0000 34295.9385 -149564.3169 299.5150 -183860.2554 -149465.6998 298.0582 -44.2151 -10.9057 557115.2129 -8.5069 -8.5993 PRESSURE: 3438400 135.446 18.3918 -28.2691 18.3931 -258.846 -36.9501 -28.27 -36.9496 -24.5941 GPRESSURE: 3438400 159.412 42.7547 -93.0903 56.1972 -250.042 -59.6425 -28.9545 -48.3499 40.9693 PRESSAVG: 3438400 34.131 2.12084 27.2772 2.12085 -69.3725 -18.6046 27.2772 -18.6047 0.676111 GPRESSAVG: 3438400 34.2644 3.71717 28.2816 0.701365 -70.2233 -19.403 27.1323 -17.1388 1.0167 TIMING: 3438400 CPU: 10283.9, 0.00306162/step Wall: 10283.9, 0.00306162/step, 1.32806 hours remaining, 205.277344 MB of memory in use. ENERGY: 3438400 711.4111 2050.3826 1939.0664 110.9584 -206180.6939 17821.3071 0.0000 0.0000 34119.9291 -149427.6392 297.9778 -183547.5684 -149329.2398 298.6001 -49.3313 -16.5534 558684.8008 -11.5218 -11.6474 PRESSURE: 3438600 62.7247 -129.347 -92.8119 -129.346 -126.52 -228.825 -92.8124 -228.826 -20.4309 GPRESSURE: 3438600 133.144 -91.9601 -133.233 -113.343 -60.6009 -216.082 -97.1815 -216.432 -51.6313 PRESSAVG: 3438600 -5.63768 31.1274 -20.3578 31.1274 -70.9618 -0.108467 -20.3578 -0.108512 10.1775 GPRESSAVG: 3438600 -5.03816 31.395 -19.1972 31.5673 -71.0744 0.635562 -20.8588 -1.73832 9.37437 TIMING: 3438600 CPU: 10284.5, 0.00302338/step Wall: 10284.5, 0.00302338/step, 1.31131 hours remaining, 205.277344 MB of memory in use. ENERGY: 3438600 753.9733 2050.9516 1949.2577 108.8454 -206225.8255 17784.9134 0.0000 0.0000 34292.3681 -149285.5160 299.4838 -183577.8842 -149191.4813 298.5937 -28.0755 6.9708 557738.1562 -22.1407 -22.2460 PRESSURE: 3438800 233.186 62.4375 161.619 62.4366 106.799 73.6995 161.617 73.6985 -6.44199 GPRESSURE: 3438800 273.543 -14.6144 228.856 102.783 163.32 22.3132 132.254 96.0824 -2.17159 PRESSAVG: 3438800 41.6782 17.0359 -38.7954 17.0358 -42.5275 -38.6118 -38.7954 -38.6118 -21.2806 GPRESSAVG: 3438800 39.6003 16.9546 -38.1323 14.5098 -41.346 -40.285 -38.0623 -39.8413 -20.0618 TIMING: 3438800 CPU: 10285.1, 0.00301553/step Wall: 10285.1, 0.00301553/step, 1.30773 hours remaining, 205.277344 MB of memory in use. ENERGY: 3438800 744.8559 2033.4609 1932.1711 111.9392 -206254.6603 17984.9951 0.0000 0.0000 34435.7940 -149011.4441 300.7364 -183447.2381 -148914.2696 299.7875 111.1809 144.8971 557887.3754 -7.3766 -7.2692 PRESSURE: 3439000 153.615 -33.1712 126.908 -33.1706 -167.195 104.152 126.909 104.154 196.217 GPRESSURE: 3439000 105.293 -20.2342 143.286 54.1312 -40.2618 162.015 116.157 140.353 224.211 PRESSAVG: 3439000 90.4589 -43.6468 -16.0954 -43.6468 -121.743 46.4049 -16.0954 46.4051 7.29402 GPRESSAVG: 3439000 90.9198 -45.4446 -17.3676 -39.578 -121.099 47.8664 -15.9498 49.1316 6.11445 TIMING: 3439000 CPU: 10285.7, 0.00301257/step Wall: 10285.7, 0.00301257/step, 1.30628 hours remaining, 205.277344 MB of memory in use. ENERGY: 3439000 725.3548 2091.3639 1958.8931 115.0953 -206007.1185 17919.3429 0.0000 0.0000 34152.9588 -149044.1097 298.2663 -183197.0686 -148949.0378 299.4664 60.8789 96.4141 557293.2422 -7.9968 -8.0217 PRESSURE: 3439200 -190.704 17.4704 -46.8852 17.4708 27.2839 100.946 -46.8841 100.945 -2.42162 GPRESSURE: 3439200 -251.31 45.0175 -90.0143 -3.04798 102.604 60.3885 3.60718 53.309 77.7325 PRESSAVG: 3439200 -76.2201 3.36055 -44.6904 3.36062 33.4881 26.1231 -44.6903 26.123 58.4261 GPRESSAVG: 3439200 -75.5064 2.47188 -44.7683 2.46274 32.2986 23.7531 -43.8269 26.7957 58.1503 TIMING: 3439200 CPU: 10286.3, 0.00302118/step Wall: 10286.3, 0.00302118/step, 1.30985 hours remaining, 205.277344 MB of memory in use. ENERGY: 3439200 750.5987 2056.4011 1914.4957 110.1777 -206191.6171 17761.6714 0.0000 0.0000 34492.9130 -149105.3596 301.2352 -183598.2725 -149004.4841 299.8562 -55.2805 -23.6577 557506.3001 5.2314 4.9808 PRESSURE: 3439400 199.622 62.6158 92.9683 62.6166 264.282 -51.462 92.9695 -51.4611 -49.6646 GPRESSURE: 3439400 227.122 66.482 94.3516 85.4693 290.265 -31.3085 3.21204 -36.8178 -5.52168 PRESSAVG: 3439400 -18.4251 36.7234 -24.2019 36.7233 -64.1182 76.3013 -24.2019 76.3012 65.9065 GPRESSAVG: 3439400 -18.087 37.0807 -23.2121 36.2827 -63.6615 78.4267 -22.7604 76.0123 65.1457 TIMING: 3439400 CPU: 10286.9, 0.00304251/step Wall: 10286.9, 0.00304251/step, 1.31893 hours remaining, 205.277344 MB of memory in use. ENERGY: 3439400 716.3983 2094.0326 1924.1437 112.3109 -206488.6434 17992.5768 0.0000 0.0000 34343.3419 -149305.8391 299.9289 -183649.1811 -149211.0678 299.4583 138.0800 170.6219 556639.3034 -5.5456 -5.5343 PRESSURE: 3439600 311.38 -87.9081 -174.887 -87.9078 -64.892 127.08 -174.888 127.08 -61.1882 GPRESSURE: 3439600 321.879 -61.1042 -103.168 -52.026 -48.7455 135.668 -140.348 172.587 9.02581 PRESSAVG: 3439600 -36.9389 36.362 34.4638 36.362 27.0009 -23.2872 34.4639 -23.2872 10.3694 GPRESSAVG: 3439600 -37.5729 34.7411 35.5073 38.8409 26.7288 -24.7651 32.5711 -24.5875 11.7235 TIMING: 3439600 CPU: 10287.5, 0.0030385/step Wall: 10287.5, 0.0030385/step, 1.31702 hours remaining, 205.277344 MB of memory in use. ENERGY: 3439600 722.7823 2105.6937 1952.2839 109.6949 -206367.2144 17994.9971 0.0000 0.0000 34271.6172 -149210.1453 299.3026 -183481.7625 -149110.6493 299.4257 61.7667 94.0532 557111.4332 0.1438 0.2931 PRESSURE: 3439800 -239.417 -89.679 -38.4155 -89.6787 -207.437 61.5108 -38.4168 61.5121 -448.584 GPRESSURE: 3439800 -181.945 -117.479 -28.9843 -44.2118 -215.08 61.3571 3.16284 54.5702 -394.547 PRESSAVG: 3439800 -13.4862 6.67002 -4.46387 6.66997 -52.4238 40.2861 -4.46391 40.2861 67.2259 GPRESSAVG: 3439800 -12.8294 7.80931 -5.61256 6.92727 -53.5737 40.7438 -4.48437 40.5022 67.6382 TIMING: 3439800 CPU: 10288.1, 0.00304103/step Wall: 10288.1, 0.00304103/step, 1.31795 hours remaining, 205.277344 MB of memory in use. ENERGY: 3439800 756.6642 2094.6513 1929.1721 114.5831 -205705.2561 17370.9871 0.0000 0.0000 34305.8412 -149133.3571 299.6014 -183439.1983 -149044.5540 299.5617 -298.4793 -263.8573 558500.0606 0.4386 0.4117 PRESSURE: 3440000 -48.2445 203.293 -106.966 203.293 267.833 36.5889 -106.966 36.5893 63.1864 GPRESSURE: 3440000 -22.3782 136.816 -45.8049 148.995 287.654 35.4405 -145.889 12.3194 106.163 PRESSAVG: 3440000 -45.6259 65.3214 -19.4883 65.3214 60.8139 -21.525 -19.4883 -21.5249 -29.7826 GPRESSAVG: 3440000 -45.5554 66.2847 -20.0005 60.9151 61.8139 -20.9727 -19.1186 -20.6287 -30.9089 TIMING: 3440000 CPU: 10288.8, 0.00303969/step Wall: 10288.8, 0.00303969/step, 1.3172 hours remaining, 205.277344 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: 3440000 728.1422 2056.3585 1959.7882 118.1385 -206218.2243 18032.6055 0.0000 0.0000 34216.0252 -149107.1663 298.8171 -183323.1915 -149016.7610 299.6430 94.2585 123.8128 556266.6044 -4.8649 -4.8835 PRESSURE: 3440200 122.654 24.5155 114.979 24.5142 78.5679 59.8323 114.979 59.832 -79.0327 GPRESSURE: 3440200 130.62 29.4752 -53.5369 33.5444 120.51 -4.98801 140.427 63.8612 -37.9449 PRESSAVG: 3440200 30.3649 -6.82928 19.464 -6.82916 33.9005 24.6854 19.4641 24.6854 9.38609 GPRESSAVG: 3440200 30.1113 -5.53388 17.4401 -5.54806 34.1927 24.0655 19.7053 23.4294 9.68601 TIMING: 3440200 CPU: 10289.4, 0.00302524/step Wall: 10289.4, 0.00302524/step, 1.31077 hours remaining, 205.277344 MB of memory in use. ENERGY: 3440200 720.8726 2121.1173 1967.3587 97.9354 -206166.0127 17833.4201 0.0000 0.0000 34157.5415 -149267.7671 298.3063 -183425.3086 -149169.6179 299.3655 40.7297 71.0618 556730.5518 24.5505 24.6633 LDB: ============= START OF LOAD BALANCING ============== 10292.8 LDB: ============== END OF LOAD BALANCING =============== 10292.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10292.8 LDB: ============= START OF LOAD BALANCING ============== 10293.1 LDB: Largest compute 4820 load 0.026554 is 22.5% of average load 0.118091 LDB: Average compute 0.001718 is 1.5% of average load 0.118091 LDB: TIME 10293.1 LOAD: AVG 0.118091 MAX 0.219307 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.219 MB LDB: TIME 10293.1 LOAD: AVG 0.118091 MAX 0.219307 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.281 MB LDB: TIME 10293.1 LOAD: AVG 0.118091 MAX 0.219307 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.281 MB LDB: ============== END OF LOAD BALANCING =============== 10293.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10293.1 PRESSURE: 3440400 201.024 27.0554 -143.632 27.0553 -24.8125 -18.212 -143.633 -18.2142 -37.7106 GPRESSURE: 3440400 206.084 28.0902 -136.036 14.4827 39.3468 -11.5996 -92.8773 -21.495 -20.2531 PRESSAVG: 3440400 20.4786 65.9139 -65.2488 65.9138 42.59 2.047 -65.2488 2.04698 -57.9574 GPRESSAVG: 3440400 20.5211 63.8303 -63.1561 68.5669 42.3058 2.92571 -64.9553 3.12799 -57.3235 TIMING: 3440400 CPU: 10290, 0.00310295/step Wall: 10290, 0.00310295/step, 1.34427 hours remaining, 207.785156 MB of memory in use. ENERGY: 3440400 731.8580 2046.6809 1965.5906 114.3202 -206607.9534 18013.6752 0.0000 0.0000 34272.2520 -149463.5764 299.3081 -183735.8284 -149370.7109 299.4336 46.1671 75.0591 555811.2270 1.7037 1.8344 PRESSURE: 3440600 61.7428 39.3159 7.975 39.3157 -234.489 -150.226 7.9755 -150.225 7.8554 GPRESSURE: 3440600 114.948 21.2961 97.0365 61.7059 -177.45 -109.083 -99.5872 -119.606 -22.3628 PRESSAVG: 3440600 71.1643 -6.16737 -59.6005 -6.16739 -47.1007 16.1933 -59.6005 16.1932 -19.0451 GPRESSAVG: 3440600 71.4126 -6.03007 -60.322 -6.8489 -48.4954 15.7083 -61.4189 15.5477 -18.4757 TIMING: 3440600 CPU: 10290.6, 0.00305674/step Wall: 10290.6, 0.00305674/step, 1.32408 hours remaining, 207.785156 MB of memory in use. ENERGY: 3440600 762.0884 2077.9070 1977.7322 108.5783 -206277.5036 17855.8397 0.0000 0.0000 34122.4185 -149372.9394 297.9996 -183495.3579 -149274.9292 298.8284 -54.9636 -28.2883 557416.7119 1.6728 1.4805 PRESSURE: 3440800 -11.5168 18.2573 -226.595 18.2573 -222.094 -63.6 -226.594 -63.5985 -116.219 GPRESSURE: 3440800 40.5293 31.7002 -167.509 33.1586 -207.487 14.2262 -200.7 -74.2483 -74.03 PRESSAVG: 3440800 20.1564 -43.0748 23.6349 -43.0746 -49.2377 49.1081 23.635 49.108 -3.92955 GPRESSAVG: 3440800 20.2032 -41.9808 23.3936 -44.8409 -48.2102 48.0952 24.4693 48.6462 -5.01776 TIMING: 3440800 CPU: 10291.2, 0.00305334/step Wall: 10291.2, 0.00305334/step, 1.32243 hours remaining, 207.785156 MB of memory in use. ENERGY: 3440800 797.1970 2105.3425 1938.3592 114.9363 -206495.7323 17877.8209 0.0000 0.0000 34294.8880 -149367.1883 299.5058 -183662.0763 -149273.1879 299.0082 -116.6099 -80.3293 558364.6549 -11.0036 -11.0083 PRESSURE: 3441000 -105.034 45.2789 -79.2349 45.2787 -6.77168 -25.2351 -79.2361 -25.2363 54.1935 GPRESSURE: 3441000 -47.7578 68.0846 -143.659 5.21039 86.9697 55.4457 -11.2815 -50.0613 7.50356 PRESSAVG: 3441000 13.9623 -16.6932 -15.3049 -16.6933 -0.662915 -4.21876 -15.3049 -4.21884 -13.0475 GPRESSAVG: 3441000 14.8594 -18.4726 -15.1534 -15.3202 -1.16962 -4.1955 -14.9437 -3.77 -12.8846 TIMING: 3441000 CPU: 10291.8, 0.0030398/step Wall: 10291.8, 0.0030398/step, 1.3164 hours remaining, 207.785156 MB of memory in use. ENERGY: 3441000 755.9757 2103.4232 1939.2590 111.1555 -206516.3190 18019.9392 0.0000 0.0000 34145.8767 -149440.6897 298.2044 -183586.5664 -149341.9785 298.6103 -19.2040 15.5718 559014.4888 0.0840 0.2684 PRESSURE: 3441200 -211.407 -252.741 77.117 -252.74 117.949 25.0328 77.1176 25.0332 6.83799 GPRESSURE: 3441200 -184.771 -263.83 43.668 -280.418 190.609 29.4977 142.265 2.90304 20.4017 PRESSAVG: 3441200 47.6017 13.4928 16.4846 13.4928 1.41197 2.97713 16.4846 2.97732 -28.4306 GPRESSAVG: 3441200 47.5207 15.491 16.9203 13.3278 1.69486 3.96914 16.9046 3.2061 -28.8196 TIMING: 3441200 CPU: 10292.4, 0.00305798/step Wall: 10292.4, 0.00305798/step, 1.32411 hours remaining, 207.984375 MB of memory in use. ENERGY: 3441200 729.8880 2084.0569 1920.2303 114.9705 -206611.4552 17946.6437 0.0000 0.0000 34399.9666 -149415.6992 300.4235 -183815.6658 -149310.0894 298.6193 -28.8733 8.7466 558954.3350 6.8610 6.7986 PRESSURE: 3441400 191.742 75.8394 5.56714 75.8398 -26.7139 -140.529 5.56682 -140.529 251.666 GPRESSURE: 3441400 152.349 114.922 -9.53778 66.1515 13.4493 -168.313 -36.018 -182.357 347.928 PRESSAVG: 3441400 -64.8142 -40.7512 -46.7859 -40.7512 0.458845 13.6765 -46.7859 13.6764 22.7134 GPRESSAVG: 3441400 -66.8586 -41.0578 -48.0572 -40.9914 0.84252 14.5282 -47.709 12.5958 24.5049 TIMING: 3441400 CPU: 10293, 0.0030323/step Wall: 10293, 0.0030323/step, 1.31282 hours remaining, 207.984375 MB of memory in use. ENERGY: 3441400 703.9402 2050.9327 1940.1325 122.6068 -206506.5579 18026.8092 0.0000 0.0000 34244.2522 -149417.8843 299.0636 -183662.1365 -149314.6769 298.7221 138.8979 171.2422 557592.2950 -13.8806 -13.8370 PRESSURE: 3441600 -97.4298 72.2684 -70.6706 72.269 -83.1517 47.1721 -70.671 47.1727 136.639 GPRESSURE: 3441600 -69.1149 73.8619 -75.6728 37.6393 -72.4651 24.2638 -104.213 39.6777 199.746 PRESSAVG: 3441600 -44.0581 -48.5719 -9.54791 -48.5719 -59.0856 -42.7579 -9.54794 -42.7579 86.7018 GPRESSAVG: 3441600 -43.0561 -48.5338 -7.78405 -49.5798 -60.4398 -41.9069 -8.55687 -42.8577 86.5398 TIMING: 3441600 CPU: 10293.6, 0.0030425/step Wall: 10293.6, 0.0030425/step, 1.31706 hours remaining, 207.984375 MB of memory in use. ENERGY: 3441600 707.1336 2122.4964 1925.6139 117.0063 -206212.4241 17728.0296 0.0000 0.0000 34276.5978 -149335.5466 299.3461 -183612.1444 -149231.5024 299.0490 -14.6475 19.3885 559134.7321 -5.4806 -5.6521 PRESSURE: 3441800 -200.2 147.771 61.5979 147.77 -101.011 64.7538 61.5978 64.7538 -122.872 GPRESSURE: 3441800 -221.927 203.377 63.9431 92.6543 -48.0663 44.0142 147.902 118.839 -57.2159 PRESSAVG: 3441800 -20.8371 22.0087 -30.0746 22.0088 -32.2074 -8.5701 -30.0745 -8.57014 45.2012 GPRESSAVG: 3441800 -19.3377 24.9139 -30.8222 20.2361 -32.1589 -10.4043 -29.7492 -6.98745 44.451 TIMING: 3441800 CPU: 10294.2, 0.00305528/step Wall: 10294.2, 0.00305528/step, 1.32243 hours remaining, 207.984375 MB of memory in use. ENERGY: 3441800 759.0940 2101.0849 1938.7219 112.4716 -206202.7923 17835.5717 0.0000 0.0000 34173.7904 -149282.0577 298.4482 -183455.8482 -149181.4190 299.2317 -141.3608 -109.0698 558638.5233 -2.6144 -2.3485 PRESSURE: 3442000 126.135 -34.4505 -144.333 -34.4495 -40.0669 -29.0961 -144.334 -29.0962 7.79295 GPRESSURE: 3442000 142.164 -63.6643 -114.33 -39.7261 -13.4534 -85.7058 -106.899 19.7552 58.677 PRESSAVG: 3442000 -14.0677 46.7356 -23.1243 46.7357 -51.161 -45.3182 -23.1242 -45.3182 20.1784 GPRESSAVG: 3442000 -16.0677 44.8775 -21.8028 49.1924 -49.3298 -45.2727 -24.8971 -46.7096 21.0517 TIMING: 3442000 CPU: 10294.9, 0.00305229/step Wall: 10294.9, 0.00305229/step, 1.32096 hours remaining, 207.984375 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: 3442000 742.8945 2069.0109 1970.7896 109.8357 -206490.9216 18093.5027 0.0000 0.0000 34349.5473 -149155.3408 299.9831 -183504.8881 -149061.2476 299.5395 31.2870 62.4625 557640.7731 -15.0168 -14.7819 PRESSURE: 3442200 -142.012 12.7697 121.923 12.7674 107.574 -261.63 121.923 -261.632 253.607 GPRESSURE: 3442200 -96.6882 -14.6863 176.516 -34.0268 147.58 -166.236 154.406 -236.813 267.634 PRESSAVG: 3442200 -11.4798 31.8404 9.31121 31.8403 1.92569 -28.804 9.31114 -28.804 18.7871 GPRESSAVG: 3442200 -11.139 33.4596 6.79527 32.6093 2.58956 -29.0781 11.1705 -27.6565 17.9955 TIMING: 3442200 CPU: 10295.5, 0.00302824/step Wall: 10295.5, 0.00302824/step, 1.31039 hours remaining, 207.984375 MB of memory in use. ENERGY: 3442200 749.4833 2063.2759 1961.6056 117.0826 -206704.5365 18079.5595 0.0000 0.0000 34529.1207 -149204.4090 301.5514 -183733.5297 -149109.6842 299.7046 73.0567 106.1754 556413.1667 3.0777 3.1487 PRESSURE: 3442400 116.875 -96.9529 45.6687 -96.9534 -63.6462 -30.8131 45.6688 -30.8162 -206.478 GPRESSURE: 3442400 122.385 -127.909 111.597 -84.0496 -27.6317 27.1008 20.5424 -15.6764 -150.024 PRESSAVG: 3442400 -61.1551 -16.9484 11.3189 -16.9484 9.64102 0.0198024 11.3189 0.019724 -7.93789 GPRESSAVG: 3442400 -60.0607 -19.3073 13.799 -15.8748 8.10624 -0.656237 9.95125 1.79542 -7.43674 TIMING: 3442400 CPU: 10296.1, 0.00299934/step Wall: 10296.1, 0.00299934/step, 1.29771 hours remaining, 207.984375 MB of memory in use. ENERGY: 3442400 752.1219 2153.9857 1951.2815 110.6500 -206030.4064 17780.8914 0.0000 0.0000 34094.0173 -149187.4586 297.7515 -183281.4758 -149091.9967 298.9208 -51.0829 -18.4238 559059.6888 -19.8173 -19.7971 PRESSURE: 3442600 180.734 -2.70189 134.244 -2.70117 -262.3 -61.9662 134.243 -61.9673 -33.2714 GPRESSURE: 3442600 180.546 65.1757 61.3639 -7.47492 -227.64 -104.337 152.805 52.4519 35.0983 PRESSAVG: 3442600 8.51014 -14.0181 57.2463 -14.0182 -23.4287 -28.7033 57.2462 -28.7034 38.7751 GPRESSAVG: 3442600 7.43057 -11.5676 55.8357 -16.1077 -23.3474 -27.5225 58.8527 -30.7796 39.5841 TIMING: 3442600 CPU: 10296.7, 0.00303059/step Wall: 10296.7, 0.00303059/step, 1.31107 hours remaining, 207.984375 MB of memory in use. ENERGY: 3442600 738.6647 2067.7953 1934.5179 110.4243 -205712.3184 17568.8099 0.0000 0.0000 34155.4491 -149136.6572 298.2880 -183292.1063 -149039.3302 298.9401 -38.2790 -3.9985 557585.6771 7.9522 7.8891 PRESSURE: 3442800 -16.1866 12.0455 -53.8422 12.045 -87.1977 -30.5741 -53.8426 -30.5741 -58.8655 GPRESSURE: 3442800 19.9926 -5.68026 -157.263 -1.38783 -50.0316 -13.6824 28.9646 -8.49775 -39.4507 PRESSAVG: 3442800 -11.5978 42.0937 15.696 42.0937 23.5725 3.63932 15.696 3.63931 20.1581 GPRESSAVG: 3442800 -12.5343 39.9998 15.3176 42.0442 25.0885 3.6547 14.3276 1.58917 19.5261 TIMING: 3442800 CPU: 10297.3, 0.00302813/step Wall: 10297.3, 0.00302813/step, 1.30983 hours remaining, 207.984375 MB of memory in use. ENERGY: 3442800 747.9610 2123.0438 1951.6992 114.9987 -206301.7074 17893.0203 0.0000 0.0000 34476.6501 -148994.3343 301.0932 -183470.9844 -148894.6699 300.2404 -54.0833 -23.1632 558132.2887 10.7109 10.6935 PRESSURE: 3443000 77.0068 38.4656 65.4179 38.4663 -47.3494 30.5117 65.4175 30.5106 179.938 GPRESSURE: 3443000 106.32 35.4249 86.3539 16.1837 26.3776 -60.3506 107.304 75.4328 182.36 PRESSAVG: 3443000 36.8896 6.43635 59.886 6.43635 20.3477 -6.98723 59.8859 -6.9872 -72.7188 GPRESSAVG: 3443000 38.2523 6.60238 60.7608 6.11912 18.7268 -8.00377 58.8383 -5.36997 -72.6468 TIMING: 3443000 CPU: 10297.9, 0.0030557/step Wall: 10297.9, 0.0030557/step, 1.32159 hours remaining, 207.984375 MB of memory in use. ENERGY: 3443000 726.8017 2062.7405 1972.0964 112.6737 -206247.9054 18084.0187 0.0000 0.0000 34599.1024 -148690.4719 302.1626 -183289.5743 -148600.3991 300.4332 69.8651 105.0192 559150.4881 -5.1605 -5.2226 PRESSURE: 3443200 162.618 57.2439 54.5849 57.244 -53.163 -14.0247 54.5857 -14.0263 -133.81 GPRESSURE: 3443200 225.935 74.9238 13.0292 53.8901 20.1356 38.7944 114.29 -64.1952 -176.866 PRESSAVG: 3443200 16.2412 -21.5592 -25.6064 -21.5593 -18.3958 -18.7714 -25.6065 -18.7714 -17.7739 GPRESSAVG: 3443200 16.3116 -21.2625 -25.2739 -20.5341 -17.3777 -19.1876 -25.3196 -18.4217 -18.5678 TIMING: 3443200 CPU: 10298.5, 0.00304687/step Wall: 10298.5, 0.00304687/step, 1.3176 hours remaining, 207.984375 MB of memory in use. ENERGY: 3443200 736.8935 2167.7828 1953.4340 112.9973 -205647.6153 17723.7384 0.0000 0.0000 34322.5632 -148630.2060 299.7475 -182952.7692 -148534.1765 300.9721 -8.1183 23.0685 559877.9446 -6.6429 -6.5447 PRESSURE: 3443400 -97.3726 -128.946 -170.245 -128.945 -149.69 37.0228 -170.244 37.0229 35.2328 GPRESSURE: 3443400 -129.491 -129.409 -143.341 -98.6192 -100.48 9.23613 -187.429 -62.103 119.871 PRESSAVG: 3443400 17.6763 -74.7482 -11.6899 -74.7482 -89.4088 9.91831 -11.6899 9.91838 87.7958 GPRESSAVG: 3443400 16.3368 -72.7952 -13.448 -76.0233 -89.2013 10.3518 -9.82541 10.36 88.8142 TIMING: 3443400 CPU: 10299.1, 0.0030444/step Wall: 10299.1, 0.0030444/step, 1.31637 hours remaining, 207.984375 MB of memory in use. ENERGY: 3443400 726.3662 2121.9525 1973.1723 116.0691 -205840.5829 17849.9577 0.0000 0.0000 34461.6520 -148591.4131 300.9622 -183053.0651 -148482.5325 301.2276 -70.6101 -36.7002 559691.5272 5.3544 5.3166 PRESSURE: 3443600 -25.4103 -100.401 60.5157 -100.401 -134.233 -144.738 60.5142 -144.74 126.963 GPRESSURE: 3443600 -6.72724 -56.3725 124.974 -71.7613 -105.133 -188.876 48.5791 -119.842 184.698 PRESSAVG: 3443600 -28.6312 -12.7414 -5.19992 -12.7412 27.5347 13.6287 -5.1999 13.6287 -3.34453 GPRESSAVG: 3443600 -27.9584 -15.6225 -3.9726 -12.4905 27.4258 14.1354 -5.8308 12.8508 -3.70689 TIMING: 3443600 CPU: 10299.7, 0.00304989/step Wall: 10299.7, 0.00304989/step, 1.31857 hours remaining, 207.984375 MB of memory in use. ENERGY: 3443600 746.2741 2130.0925 1947.3473 104.3256 -205968.4796 17976.0027 0.0000 0.0000 34552.1459 -148512.2915 301.7525 -183064.4375 -148413.9957 300.4814 -10.8937 24.2790 558987.7928 -1.4803 -1.4132 PRESSURE: 3443800 -37.8516 -67.4018 -132.051 -67.4015 -162.874 -14.9217 -132.05 -14.9211 -148.089 GPRESSURE: 3443800 1.43329 -159.749 -151.319 4.96936 -140.087 -51.3445 -125.49 13.4673 -135.659 PRESSAVG: 3443800 -21.3848 -21.1501 -6.17775 -21.1501 5.18461 -111.616 -6.17786 -111.616 20.9153 GPRESSAVG: 3443800 -22.2397 -21.3844 -6.43746 -19.9693 5.6086 -113.271 -6.6429 -112.365 21.0153 TIMING: 3443800 CPU: 10300.3, 0.0030324/step Wall: 10300.3, 0.0030324/step, 1.31084 hours remaining, 207.984375 MB of memory in use. ENERGY: 3443800 713.6317 2115.4070 1960.9689 110.9982 -205393.8422 17511.2288 0.0000 0.0000 34541.1089 -148440.4986 301.6561 -182981.6076 -148337.7976 300.8159 -116.2714 -91.4376 559914.4813 1.5717 1.4614 PRESSURE: 3444000 137.116 63.765 89.7743 63.7649 62.751 106.337 89.7754 106.337 -15.0675 GPRESSURE: 3444000 158.993 66.8039 155.206 3.9928 114.676 35.0529 119.709 118.661 5.30342 PRESSAVG: 3444000 -53.596 -22.5206 -25.101 -22.5206 -5.93639 25.5864 -25.101 25.5864 80.9858 GPRESSAVG: 3444000 -52.0181 -22.657 -24.1113 -24.1613 -6.14334 27.2748 -24.8845 27.4092 80.0187 TIMING: 3444000 CPU: 10300.9, 0.0030405/step Wall: 10300.9, 0.0030405/step, 1.31417 hours remaining, 207.984375 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: 3444000 742.4086 2062.3543 1946.9412 119.8447 -205669.7990 17858.8223 0.0000 0.0000 34282.0449 -148657.3829 299.3936 -182939.4278 -148566.3350 301.8576 61.6000 92.9910 557704.0362 7.1511 7.2858 PRESSURE: 3444200 -340.662 -5.39882 20.9587 -5.39872 -141.289 -26.07 20.9589 -26.0715 -98.5449 GPRESSURE: 3444200 -356.558 -39.4554 -0.601544 -102.114 -105.857 -42.3494 -60.0298 39.242 -28.5381 PRESSAVG: 3444200 -66.8907 36.3337 23.2955 36.3336 46.5374 -40.5631 23.2955 -40.5631 -30.579 GPRESSAVG: 3444200 -67.4435 38.0764 21.8307 38.1154 48.036 -40.4584 24.5984 -41.7609 -31.4566 TIMING: 3444200 CPU: 10301.5, 0.00303774/step Wall: 10301.5, 0.00303774/step, 1.31281 hours remaining, 207.984375 MB of memory in use. ENERGY: 3444200 772.7803 2081.4137 1933.0610 124.1335 -205578.2819 17686.7761 0.0000 0.0000 34322.0903 -148658.0268 299.7434 -182980.1172 -148563.7060 300.3310 -193.4989 -163.6510 558166.2156 -16.9775 -16.9547 LDB: ============= START OF LOAD BALANCING ============== 10305 LDB: ============== END OF LOAD BALANCING =============== 10305 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10305 LDB: ============= START OF LOAD BALANCING ============== 10305.3 LDB: Largest compute 4820 load 0.028569 is 24.2% of average load 0.118089 LDB: Average compute 0.001720 is 1.5% of average load 0.118089 LDB: TIME 10305.3 LOAD: AVG 0.118089 MAX 0.220819 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 10305.3 LOAD: AVG 0.118089 MAX 0.220819 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: TIME 10305.3 LOAD: AVG 0.118089 MAX 0.220819 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10305.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10305.3 PRESSURE: 3444400 12.2561 159.551 190.928 159.55 -248.519 129.541 190.926 129.542 -99.7991 GPRESSURE: 3444400 22.6283 124.986 229.024 127.383 -245.916 100.555 161.357 173.706 -19.5874 PRESSAVG: 3444400 -63.4951 -2.4721 23.6301 -2.47213 61.1757 -8.74483 23.6302 -8.74486 11.6564 GPRESSAVG: 3444400 -63.1099 -3.01476 23.9501 -3.65094 59.1184 -10.9875 21.0946 -7.1035 13.3446 TIMING: 3444400 CPU: 10302.2, 0.0030945/step Wall: 10302.2, 0.0030945/step, 1.33717 hours remaining, 204.609375 MB of memory in use. ENERGY: 3444400 760.8809 2127.4021 1936.3353 128.9204 -205911.0827 17841.0200 0.0000 0.0000 34384.4378 -148732.0862 300.2878 -183116.5240 -148636.7321 300.0592 -112.0207 -80.9584 558711.8981 3.1123 3.1177 PRESSURE: 3444600 95.1744 101.994 31.5644 101.994 65.4049 86.7256 31.5648 86.7235 -157.9 GPRESSURE: 3444600 99.8827 75.1188 57.8379 56.578 114.774 140.319 29.6081 86.7528 -119.044 PRESSAVG: 3444600 4.6933 2.81837 -1.92328 2.81835 14.9087 -13.3296 -1.92338 -13.3296 -18.3484 GPRESSAVG: 3444600 4.22773 3.12246 -1.04953 1.71045 15.5883 -12.8061 1.10982 -13.755 -18.6276 TIMING: 3444600 CPU: 10302.8, 0.0030489/step Wall: 10302.8, 0.0030489/step, 1.31729 hours remaining, 204.609375 MB of memory in use. ENERGY: 3444600 754.7453 2167.0291 1947.1109 122.5405 -206089.1573 17901.0930 0.0000 0.0000 34472.0690 -148724.5695 301.0532 -183196.6385 -148631.6592 300.5899 0.8929 31.8710 559248.3352 0.4179 0.3961 PRESSURE: 3444800 -152.609 40.5714 -19.1115 40.5725 -243.091 -108.499 -19.112 -108.5 -226.021 GPRESSURE: 3444800 -118.707 -5.9817 -79.1101 14.8464 -242.677 -137.852 48.4941 -74.4845 -167.379 PRESSAVG: 3444800 59.9973 2.42898 17.8295 2.42902 28.6823 -60.554 17.8295 -60.554 -83.7312 GPRESSAVG: 3444800 60.3834 3.67959 16.7604 5.12944 27.4629 -58.8513 16.1403 -61.4929 -83.1809 TIMING: 3444800 CPU: 10303.4, 0.0030671/step Wall: 10303.4, 0.0030671/step, 1.32499 hours remaining, 204.609375 MB of memory in use. ENERGY: 3444800 761.4240 2145.4105 1979.4136 107.7010 -205726.1477 17529.2894 0.0000 0.0000 34458.7091 -148744.2001 300.9365 -183202.9092 -148641.6631 300.7720 -207.2404 -176.2546 558878.9468 1.6495 1.5552 PRESSURE: 3445000 -233.833 -191.358 -3.75943 -191.357 -14.547 -198.797 -3.75807 -198.798 239.58 GPRESSURE: 3445000 -184.248 -186.601 -38.4745 -180.623 25.9267 -218.872 -5.1859 -227.477 255.99 PRESSAVG: 3445000 11.4566 -18.8442 -3.08142 -18.8442 20.1383 -42.0691 -3.08149 -42.0692 -2.74536 GPRESSAVG: 3445000 10.7419 -19.0319 -1.69527 -20.3989 21.0876 -44.8511 -5.28801 -41.6949 -3.13578 TIMING: 3445000 CPU: 10304, 0.00303757/step Wall: 10304, 0.00303757/step, 1.31206 hours remaining, 204.609375 MB of memory in use. ENERGY: 3445000 741.8729 2053.2428 1945.1469 112.2315 -205672.1190 17738.8130 0.0000 0.0000 34353.6599 -148727.1520 300.0191 -183080.8118 -148634.4416 300.5758 -2.9336 32.5563 557768.5137 9.6165 9.5646 PRESSURE: 3445200 165.246 26.9777 18.2771 26.9778 11.9842 77.7871 18.2778 77.787 15.0905 GPRESSURE: 3445200 236.458 81.1533 88.328 -60.01 14.2047 119.168 -99.7152 51.1581 30.5787 PRESSAVG: 3445200 -9.96799 55.1764 -43.588 55.1764 11.3081 3.65057 -43.5881 3.65061 -15.1232 GPRESSAVG: 3445200 -10.0943 56.5291 -42.9375 55.8842 12.0098 3.12113 -42.7306 3.76658 -15.6143 TIMING: 3445200 CPU: 10304.6, 0.00304511/step Wall: 10304.6, 0.00304511/step, 1.31515 hours remaining, 204.609375 MB of memory in use. ENERGY: 3445200 750.1666 2109.5604 1972.6403 115.7265 -205807.5263 17768.7552 0.0000 0.0000 34221.5336 -148869.1438 298.8652 -183090.6773 -148777.9298 300.2855 64.1068 93.7471 557319.6600 -4.5944 -4.5662 PRESSURE: 3445400 -82.4074 -130.837 125.314 -130.837 -8.2692 -2.07166 125.314 -2.07105 -95.129 GPRESSURE: 3445400 -58.3094 -199.534 41.0538 -138.637 23.1904 24.4057 127.522 -0.458027 -39.604 PRESSAVG: 3445400 52.9567 -12.3413 46.8704 -12.3413 -43.729 7.36082 46.8705 7.36085 -0.35942 GPRESSAVG: 3445400 53.586 -13.6911 47.8387 -12.3324 -44.0574 9.82403 47.7661 5.74968 -0.76464 TIMING: 3445400 CPU: 10305.2, 0.00306744/step Wall: 10305.2, 0.00306744/step, 1.32462 hours remaining, 204.609375 MB of memory in use. ENERGY: 3445400 725.8822 2068.7175 1949.0508 131.0632 -205739.7940 17656.6921 0.0000 0.0000 34401.1201 -148807.2682 300.4335 -183208.3883 -148710.8512 300.5532 -61.9352 -24.9077 558639.1763 2.9561 2.9213 PRESSURE: 3445600 -29.4176 35.0007 124.925 35.0002 8.30796 99.1249 124.926 99.1247 -68.7146 GPRESSURE: 3445600 -66.1294 79.3127 181.695 72.6437 48.9162 85.2959 57.0557 41.9414 16.4784 PRESSAVG: 3445600 18.5329 -1.16049 16.7319 -1.16049 18.2138 24.9942 16.7319 24.9945 -21.4083 GPRESSAVG: 3445600 18.1978 -1.50878 15.0293 -0.22698 17.2725 24.6619 16.6115 25.9992 -20.3419 TIMING: 3445600 CPU: 10305.8, 0.00303322/step Wall: 10305.8, 0.00303322/step, 1.30968 hours remaining, 204.609375 MB of memory in use. ENERGY: 3445600 762.3793 2120.9162 1976.4371 102.3690 -205648.5374 17640.0561 0.0000 0.0000 34267.9866 -148778.3931 299.2708 -183046.3796 -148682.2804 300.7951 -29.9414 -0.2449 559457.9874 5.1128 5.0428 PRESSURE: 3445800 -116.676 74.4054 148.2 74.4038 -55.8841 -18.816 148.2 -18.8164 -121.671 GPRESSURE: 3445800 -53.6194 148.065 98.5635 61.4 -29.5991 -41.6086 240.78 38.1999 -114.187 PRESSAVG: 3445800 38.1259 -15.0779 16.9593 -15.0778 22.2813 6.97253 16.9593 6.97237 -50.991 GPRESSAVG: 3445800 37.5759 -16.4933 16.7765 -14.9077 22.7325 6.237 16.0562 7.01286 -51.375 TIMING: 3445800 CPU: 10306.4, 0.00303049/step Wall: 10306.4, 0.00303049/step, 1.30833 hours remaining, 204.609375 MB of memory in use. ENERGY: 3445800 755.9602 2125.6432 1942.5603 112.2890 -206006.8777 17892.4266 0.0000 0.0000 34266.1681 -148911.8303 299.2550 -183177.9984 -148812.4039 300.3557 -98.0772 -65.8017 559513.9478 3.1387 2.9778 PRESSURE: 3446000 220.112 77.7864 -275.483 77.7867 242.568 -61.0127 -275.482 -61.0127 -215.692 GPRESSURE: 3446000 216.844 80.8835 -246.307 48.8654 228.12 63.952 -166.12 -76.4222 -118.271 PRESSAVG: 3446000 -40.244 54.355 34.466 54.355 6.70947 -29.7247 34.466 -29.7247 57.1653 GPRESSAVG: 3446000 -40.0006 56.5016 33.3133 51.6592 6.36267 -29.4327 35.8953 -27.8356 56.8518 TIMING: 3446000 CPU: 10307, 0.00306604/step Wall: 10307, 0.00306604/step, 1.32351 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: 3446000 734.5037 2135.5880 1939.7022 120.2533 -205782.5300 17730.0240 0.0000 0.0000 34264.9116 -148857.5471 299.2440 -183122.4587 -148761.8724 300.1514 82.3294 108.8978 558121.3716 7.8769 7.7380 PRESSURE: 3446200 157.28 67.4247 -113.684 67.4231 285.549 148.997 -113.683 148.997 61.2758 GPRESSURE: 3446200 209.208 82.7081 -92.9216 -3.42948 293.646 159.87 -51.1058 179.434 99.8922 PRESSAVG: 3446200 -18.8839 66.7712 -17.4233 66.7712 37.3281 48.5795 -17.4234 48.5794 10.6215 GPRESSAVG: 3446200 -17.9048 65.5867 -17.0836 68.2026 36.9804 49.2405 -18.2623 45.6958 10.3389 TIMING: 3446200 CPU: 10307.6, 0.00304475/step Wall: 10307.6, 0.00304475/step, 1.31415 hours remaining, 204.609375 MB of memory in use. ENERGY: 3446200 762.0521 2117.9287 1952.4785 119.2171 -206483.5189 18189.8016 0.0000 0.0000 34282.2074 -149059.8335 299.3950 -183342.0409 -148971.7041 299.3836 168.0349 200.9152 556936.5720 9.6886 9.8048 PRESSURE: 3446400 -30.8184 -129.989 53.1484 -129.99 -109.013 -98.6616 53.1486 -98.661 -379.761 GPRESSURE: 3446400 64.2935 -106.432 14.2025 -194.304 -88.6499 -2.58111 44.0604 -158.974 -406.242 PRESSAVG: 3446400 4.85038 -14.5003 33.3642 -14.5003 -14.2706 56.8551 33.3643 56.855 -22.9393 GPRESSAVG: 3446400 5.20756 -15.6327 34.1889 -12.6629 -14.502 56.1238 33.1887 57.0525 -22.9213 TIMING: 3446400 CPU: 10308.3, 0.00307041/step Wall: 10308.3, 0.00307041/step, 1.32505 hours remaining, 204.609375 MB of memory in use. ENERGY: 3446400 772.2130 2087.9164 1942.4403 127.9217 -205800.3476 17647.9397 0.0000 0.0000 34114.7720 -149107.1445 297.9328 -183221.9165 -149012.0102 299.0622 -173.1975 -143.5328 559348.6839 -10.7865 -10.7386 PRESSURE: 3446600 -17.0685 -189.74 100.8 -189.74 -0.859997 36.23 100.8 36.229 38.1881 GPRESSURE: 3446600 -44.6067 -107.719 98.1275 -244.989 68.0254 -23.7641 94.3121 98.9388 90.0846 PRESSAVG: 3446600 4.75142 -27.1524 12.0546 -27.1525 40.6034 32.997 12.0546 32.997 -33.2051 GPRESSAVG: 3446600 4.61545 -23.8192 11.0627 -28.9902 39.9624 31.3749 11.9181 32.2565 -32.7742 TIMING: 3446600 CPU: 10308.9, 0.00303723/step Wall: 10308.9, 0.00303723/step, 1.31056 hours remaining, 204.609375 MB of memory in use. ENERGY: 3446600 769.0225 2107.6784 1944.9211 120.6254 -206058.6957 17790.2098 0.0000 0.0000 34177.9863 -149148.2524 298.4849 -183326.2386 -149050.2495 299.3641 6.7532 37.8344 557311.6266 4.0499 3.9345 PRESSURE: 3446800 -43.557 122.574 -109.753 122.574 -19.1493 -27.7336 -109.754 -27.7325 145.209 GPRESSURE: 3446800 -35.7466 66.4042 -111.461 116.887 31.496 -25.7151 -85.7289 -67.0624 180.46 PRESSAVG: 3446800 4.1734 13.4448 -78.3276 13.4449 -17.8061 -66.2299 -78.3277 -66.2299 24.1198 GPRESSAVG: 3446800 4.13591 12.6241 -75.8947 11.9468 -17.9017 -64.96 -79.7287 -66.0481 23.7544 TIMING: 3446800 CPU: 10309.5, 0.00305193/step Wall: 10309.5, 0.00305193/step, 1.31674 hours remaining, 204.609375 MB of memory in use. ENERGY: 3446800 752.1694 2110.7927 1955.0582 106.4638 -206072.7935 17722.4135 0.0000 0.0000 34203.4113 -149222.4845 298.7069 -183425.8959 -149118.5269 299.3968 27.5008 58.7363 556933.9645 3.4957 3.3296 PRESSURE: 3447000 -333.728 194.168 -265.613 194.169 -172.859 -27.0789 -265.613 -27.0771 -188.935 GPRESSURE: 3447000 -308.706 179.1 -279.802 216.474 -171.393 6.5995 -250.943 -18.0746 -126.062 PRESSAVG: 3447000 -35.7925 -44.0642 -130.733 -44.0643 41.7286 -4.43811 -130.733 -4.43818 38.7167 GPRESSAVG: 3447000 -36.6363 -44.5989 -133.018 -42.3553 42.6325 -5.61149 -127.879 -3.70347 38.4468 TIMING: 3447000 CPU: 10310.1, 0.00305646/step Wall: 10310.1, 0.00305646/step, 1.31852 hours remaining, 204.609375 MB of memory in use. ENERGY: 3447000 756.2055 2081.7097 1937.3363 132.4405 -206316.0492 17655.0915 0.0000 0.0000 34204.6845 -149548.5813 298.7180 -183753.2657 -149449.6420 299.1952 -231.8408 -202.0536 558254.7136 14.8843 14.8143 PRESSURE: 3447200 -224.615 -93.8744 93.7335 -93.8752 -50.477 63.5304 93.7331 63.5297 53.6645 GPRESSURE: 3447200 -171.571 -144.66 154.445 -66.0838 -10.9057 76.8512 14.6238 77.5899 48.45 PRESSAVG: 3447200 -45.5639 -36.572 -30.119 -36.572 69.1864 -3.46903 -30.119 -3.46901 -64.0639 GPRESSAVG: 3447200 -43.7677 -36.494 -29.8293 -36.5978 68.599 -3.78663 -30.5805 -2.16123 -65.5718 TIMING: 3447200 CPU: 10310.7, 0.00304857/step Wall: 10310.7, 0.00304857/step, 1.31495 hours remaining, 204.609375 MB of memory in use. ENERGY: 3447200 771.3826 2095.4663 1945.8379 125.4642 -206613.5240 17875.0781 0.0000 0.0000 34191.7348 -149608.5601 298.6049 -183800.2949 -149513.5464 298.3956 -73.8090 -44.6756 558298.0408 -13.4805 -13.5802 PRESSURE: 3447400 140.141 58.3175 28.887 58.3181 -53.5761 224.121 28.8846 224.12 148.421 GPRESSURE: 3447400 149.744 9.88494 84.6453 28.7146 -67.6817 181.098 30.402 170.839 251.872 PRESSAVG: 3447400 74.1858 -6.91658 -42.5911 -6.91656 -22.7079 16.8205 -42.591 16.8204 -14.5743 GPRESSAVG: 3447400 72.4321 -8.208 -42.6718 -8.0417 -22.8381 17.6525 -42.0486 16.4076 -12.6981 TIMING: 3447400 CPU: 10311.3, 0.00305299/step Wall: 10311.3, 0.00305299/step, 1.31668 hours remaining, 204.609375 MB of memory in use. ENERGY: 3447400 750.7732 2086.5929 1940.0046 109.1688 -206517.3400 18016.2483 0.0000 0.0000 34104.2032 -149510.3491 297.8405 -183614.5523 -149414.6240 298.3263 78.3286 111.3113 556988.4224 12.3012 12.2986 PRESSURE: 3447600 0.753051 121.88 66.6995 121.881 -129.539 50.532 66.6989 50.5323 -235.621 GPRESSURE: 3447600 42.5886 86.9166 97.0257 56.7056 -131.368 40.7222 60.5415 94.6023 -175.993 PRESSAVG: 3447600 39.8107 -18.5656 -37.5023 -18.5656 -38.413 30.8177 -37.5023 30.8177 -21.166 GPRESSAVG: 3447600 40.2052 -17.4956 -37.0351 -18.1283 -38.6829 33.2648 -38.9387 28.1503 -21.4659 TIMING: 3447600 CPU: 10311.9, 0.00303987/step Wall: 10311.9, 0.00303987/step, 1.31086 hours remaining, 204.609375 MB of memory in use. ENERGY: 3447600 741.5156 2075.2252 1953.0430 120.4913 -206556.1053 17840.0924 0.0000 0.0000 34315.6284 -149510.1094 299.6869 -183825.7378 -149408.4657 297.9799 -121.4692 -88.2574 557366.4396 -6.5894 -6.6479 PRESSURE: 3447800 -143.009 113.041 164.937 113.041 69.2108 -8.71071 164.936 -8.7101 -72.7086 GPRESSURE: 3447800 -79.046 103.148 71.2148 56.3213 88.0259 -33.5158 152.442 14.2197 -56.2879 PRESSAVG: 3447800 27.2139 23.6435 44.7272 23.6434 12.5815 3.74907 44.7273 3.74911 -17.7224 GPRESSAVG: 3447800 26.6718 22.9449 43.0517 25.2034 12.1093 3.03237 44.881 3.96963 -17.1246 TIMING: 3447800 CPU: 10312.5, 0.00306564/step Wall: 10312.5, 0.00306564/step, 1.3218 hours remaining, 204.609375 MB of memory in use. ENERGY: 3447800 739.4371 2144.3682 1941.9142 125.8656 -206225.8995 17809.8036 0.0000 0.0000 34202.1694 -149262.3414 298.6961 -183464.5108 -149166.9134 299.2850 -48.8358 -15.7693 557914.1982 7.3577 7.2188 PRESSURE: 3448000 -8.94821 -82.3411 35.4687 -82.3419 -55.3696 205.453 35.4677 205.454 182.693 GPRESSURE: 3448000 12.5753 -138.168 91.5671 -67.349 57.5412 141.558 -11.1594 163.028 143.701 PRESSAVG: 3448000 2.88622 -16.9526 27.5434 -16.9525 -47.9707 56.7786 27.5434 56.7786 70.4867 GPRESSAVG: 3448000 3.89483 -16.6755 27.5197 -18.1253 -47.592 55.6666 28.5325 57.3361 68.8458 TIMING: 3448000 CPU: 10313.1, 0.00304012/step Wall: 10313.1, 0.00304012/step, 1.31063 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: 3448000 747.2231 2132.2671 1988.4701 124.2882 -206045.1502 17827.2120 0.0000 0.0000 34129.0106 -149096.6791 298.0571 -183225.6897 -149000.1799 298.8619 39.4585 71.2723 557171.2592 8.4674 8.3829 PRESSURE: 3448200 -193.794 82.2422 -3.16899 82.2429 256.613 -8.01079 -3.168 -8.01202 -246.582 GPRESSURE: 3448200 -165.458 89.287 5.15958 147.95 295.783 -7.02981 -29.7819 -36.0409 -223.835 PRESSAVG: 3448200 13.9746 -1.99574 -33.3692 -1.99574 -22.6491 -13.9017 -33.3693 -13.9015 28.5985 GPRESSAVG: 3448200 11.8823 -2.0408 -31.9164 -1.09721 -21.484 -12.5943 -37.0063 -12.7397 29.9949 TIMING: 3448200 CPU: 10313.7, 0.00303669/step Wall: 10313.7, 0.00303669/step, 1.30898 hours remaining, 204.609375 MB of memory in use. ENERGY: 3448200 750.1415 2125.7184 1942.2298 122.3446 -206196.4921 17806.0481 0.0000 0.0000 34242.5333 -149207.4764 299.0486 -183450.0097 -149108.0064 298.5359 -61.2541 -31.1701 556731.4396 6.6413 6.7977 LDB: ============= START OF LOAD BALANCING ============== 10317.2 LDB: ============== END OF LOAD BALANCING =============== 10317.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10317.2 LDB: ============= START OF LOAD BALANCING ============== 10317.5 LDB: Largest compute 4820 load 0.027885 is 23.6% of average load 0.118041 LDB: Average compute 0.001720 is 1.5% of average load 0.118041 LDB: TIME 10317.5 LOAD: AVG 0.118041 MAX 0.217573 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.891 MB LDB: TIME 10317.5 LOAD: AVG 0.118041 MAX 0.217573 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.09 MB LDB: TIME 10317.5 LOAD: AVG 0.118041 MAX 0.217573 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.09 MB LDB: ============== END OF LOAD BALANCING =============== 10317.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10317.5 PRESSURE: 3448400 -127.597 -119.953 14.4795 -119.953 -238.01 -30.4841 14.4787 -30.4834 -262.884 GPRESSURE: 3448400 -98.5593 -115.669 74.994 -159.659 -249.677 62.2735 -21.1151 -13.9741 -191.449 PRESSAVG: 3448400 -25.2578 -8.89449 -14.5202 -8.89445 31.0799 27.8519 -14.5201 27.8519 0.715387 GPRESSAVG: 3448400 -23.5928 -9.45682 -14.412 -10.0399 30.3413 27.3881 -12.5437 27.4715 0.335116 TIMING: 3448400 CPU: 10314.4, 0.00306392/step Wall: 10314.4, 0.00306392/step, 1.32055 hours remaining, 205.878906 MB of memory in use. ENERGY: 3448400 747.5216 2159.2432 1959.9623 108.0375 -205839.2718 17491.4571 0.0000 0.0000 34220.7096 -149152.3404 298.8580 -183373.0500 -149051.8071 299.2406 -209.4974 -179.8950 558361.8553 2.1792 2.3612 PRESSURE: 3448600 158.296 -163.709 70.04 -163.709 159.526 -108.811 70.0398 -108.812 145.47 GPRESSURE: 3448600 175.56 -163.379 60.8247 -158.602 202.722 -147.358 161.756 -93.9369 175.868 PRESSAVG: 3448600 58.7634 5.0981 26.784 5.09812 -46.7125 22.4116 26.784 22.4116 -28.4087 GPRESSAVG: 3448600 57.9617 5.38462 25.0482 5.6767 -46.3616 19.4653 28.2092 21.7972 -27.7277 TIMING: 3448600 CPU: 10315, 0.0030398/step Wall: 10315, 0.0030398/step, 1.30999 hours remaining, 205.878906 MB of memory in use. ENERGY: 3448600 741.9319 2132.7731 1970.5211 108.9167 -205990.5990 17857.4883 0.0000 0.0000 34039.4818 -149139.4862 297.2753 -183178.9680 -149045.2319 299.6555 154.4307 184.7168 558527.2370 -5.4526 -5.3759 PRESSURE: 3448800 184.251 17.4205 26.0602 17.4202 2.14907 73.1459 26.0596 73.1446 135.244 GPRESSURE: 3448800 214.319 119.485 72.8828 -56.2804 4.44492 41.4577 -46.883 68.3407 182.679 PRESSAVG: 3448800 4.36473 45.7936 9.72573 45.7935 -43.2325 23.7781 9.72589 23.7781 -11.8948 GPRESSAVG: 3448800 4.81803 45.6766 11.2624 45.541 -43.3765 25.8086 8.05181 23.5955 -12.1896 TIMING: 3448800 CPU: 10315.6, 0.00304918/step Wall: 10315.6, 0.00304918/step, 1.31386 hours remaining, 205.878906 MB of memory in use. ENERGY: 3448800 752.9041 2115.9739 1975.3060 114.4532 -206180.0575 17952.1791 0.0000 0.0000 34289.8446 -148979.3966 299.4617 -183269.2412 -148886.8192 299.8225 107.2146 133.8143 558263.6332 -16.9209 -16.9160 PRESSURE: 3449000 171.863 28.8199 -130.391 28.8195 13.3329 -85.4085 -130.39 -85.4073 -94.3706 GPRESSURE: 3449000 190.154 -44.2889 -108.256 86.6466 34.1786 -34.952 -66.9336 -114.11 -44.1073 PRESSAVG: 3449000 38.9977 -11.19 -21.7247 -11.19 45.4176 5.33415 -21.7248 5.33418 -59.0921 GPRESSAVG: 3449000 39.1254 -12.2694 -22.2974 -8.92462 45.2009 6.59541 -21.0429 4.29373 -58.6618 TIMING: 3449000 CPU: 10316.2, 0.00303892/step Wall: 10316.2, 0.00303892/step, 1.30927 hours remaining, 205.878906 MB of memory in use. ENERGY: 3449000 761.1422 2126.7196 1952.3152 99.8742 -206452.7454 18077.3698 0.0000 0.0000 34481.8769 -148953.4475 301.1388 -183435.3244 -148857.9122 300.0512 30.2752 60.0749 558995.7670 8.4411 8.5549 PRESSURE: 3449200 -183.578 94.265 -41.75 94.2635 -30.3462 -89.0721 -41.7502 -89.0717 -231.207 GPRESSURE: 3449200 -209.718 123.463 42.6062 86.4996 -24.4041 -46.5095 -67.1963 -141.965 -132.593 PRESSAVG: 3449200 -14.8887 66.636 -33.0236 66.6359 63.7042 -34.0673 -33.0236 -34.0672 -9.64865 GPRESSAVG: 3449200 -15.1252 66.757 -33.1914 66.1098 64.2596 -34.3513 -30.6093 -32.6785 -9.6583 TIMING: 3449200 CPU: 10316.8, 0.0030359/step Wall: 10316.8, 0.0030359/step, 1.3078 hours remaining, 205.878906 MB of memory in use. ENERGY: 3449200 785.5094 2098.2429 1946.6388 113.8760 -206029.5928 17742.6537 0.0000 0.0000 34226.8964 -149115.7758 298.9120 -183342.6721 -149020.1599 300.3467 -148.3770 -122.2381 558988.1549 13.0556 13.1587 PRESSURE: 3449400 57.7822 -12.3704 -14.7458 -12.3709 90.9055 -21.0582 -14.7474 -21.0578 -103.621 GPRESSURE: 3449400 154.551 -37.9268 42.7702 22.7069 98.0614 -76.7094 -31.5006 -2.39513 -106.842 PRESSAVG: 3449400 -2.26996 5.29234 -30.0125 5.2923 -42.9806 35.2332 -30.0126 35.2331 47.2198 GPRESSAVG: 3449400 -1.58379 6.88163 -28.762 3.9919 -43.0311 34.4512 -32.9583 35.2695 46.9162 TIMING: 3449400 CPU: 10317.4, 0.00304069/step Wall: 10317.4, 0.00304069/step, 1.30969 hours remaining, 205.878906 MB of memory in use. ENERGY: 3449400 780.8641 2133.0150 1955.1264 118.6709 -206287.0739 17971.2863 0.0000 0.0000 34163.1739 -149164.9371 298.3555 -183328.1111 -149057.7377 299.9396 15.0221 48.5902 556577.8048 0.6564 0.7671 PRESSURE: 3449600 -162.813 44.8889 68.3898 44.8904 13.1904 -8.1047 68.3898 -8.10444 -378.303 GPRESSURE: 3449600 -107.815 81.2447 89.9745 11.9647 -9.24424 -63.5922 43.3828 80.0442 -301.702 PRESSAVG: 3449600 26.6221 1.05201 9.02717 1.05201 8.79601 14.5798 9.02712 14.5798 -57.2163 GPRESSAVG: 3449600 26.1201 -0.367382 9.72427 1.86999 8.79869 13.2093 8.55503 14.6125 -56.3155 TIMING: 3449600 CPU: 10318, 0.00303616/step Wall: 10318, 0.00303616/step, 1.30757 hours remaining, 205.878906 MB of memory in use. ENERGY: 3449600 754.6681 2065.3121 1968.0083 112.3633 -206063.2048 17727.1471 0.0000 0.0000 34336.0119 -149099.6940 299.8649 -183435.7058 -149011.4107 299.9735 -175.9753 -139.5870 559193.7668 -7.2661 -7.1322 PRESSURE: 3449800 227.925 87.2254 -58.6998 87.2246 -40.0666 28.2878 -58.7004 28.2878 -30.9468 GPRESSURE: 3449800 256.256 130.352 -74.2733 9.34074 -64.5933 34.8883 -31.1921 -17.4182 60.8964 PRESSAVG: 3449800 6.9829 10.3475 -34.9193 10.3474 -7.20357 82.4419 -34.9193 82.4419 -50.3433 GPRESSAVG: 3449800 7.61084 11.5427 -37.1075 8.88218 -7.70733 84.6672 -31.0594 83.1979 -50.1493 TIMING: 3449800 CPU: 10318.6, 0.00301253/step Wall: 10318.6, 0.00301253/step, 1.29723 hours remaining, 205.878906 MB of memory in use. ENERGY: 3449800 763.8558 2135.2937 1931.5954 104.2978 -206466.5576 18123.4070 0.0000 0.0000 34402.7254 -149005.3824 300.4476 -183408.1079 -148904.7573 300.1547 52.3038 84.1862 557427.1837 -16.8546 -16.7486 PRESSURE: 3450000 -64.69 -114.265 -138.73 -114.264 152.831 -100.848 -138.729 -100.848 209.105 GPRESSURE: 3450000 -20.0271 -57.9697 -127.499 -201.241 179.105 -26.1013 -85.2831 -111.779 230.14 PRESSAVG: 3450000 15.4045 -4.82632 -38.7917 -4.82639 -35.7106 -23.3569 -38.7916 -23.3569 -0.0622248 GPRESSAVG: 3450000 15.1666 -4.77858 -39.1573 -4.49257 -34.2414 -23.837 -39.6815 -23.8246 -0.49755 TIMING: 3450000 CPU: 10319.2, 0.00302596/step Wall: 10319.2, 0.00302596/step, 1.30284 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: 3450000 767.7286 2108.4263 1949.3509 116.1687 -206152.8781 17877.2706 0.0000 0.0000 34376.3400 -148957.5929 300.2171 -183333.9329 -148861.3201 300.0777 99.0821 129.7396 556656.1565 -6.7894 -6.5241 PRESSURE: 3450200 140.598 43.2895 56.3619 43.2899 -49.1432 102.038 56.3614 102.039 81.1889 GPRESSURE: 3450200 109.337 -41.8486 98.126 28.4051 16.4819 179.155 16.6008 69.7393 137.515 PRESSAVG: 3450200 9.11795 -7.98533 8.60357 -7.98536 44.4162 -10.7801 8.60358 -10.78 -13.7327 GPRESSAVG: 3450200 10.1229 -8.3917 8.28097 -6.99873 43.3768 -10.56 8.4166 -10.5722 -13.4563 TIMING: 3450200 CPU: 10319.8, 0.00302157/step Wall: 10319.8, 0.00302157/step, 1.30078 hours remaining, 205.878906 MB of memory in use. ENERGY: 3450200 762.2865 2100.8278 1905.2313 109.7584 -205919.5816 17660.2824 0.0000 0.0000 34475.6900 -148905.5053 301.0848 -183381.1952 -148805.3363 300.5770 57.5481 87.7781 555271.1010 13.2671 13.3478 PRESSURE: 3450400 -38.6566 -1.42891 -38.4182 -1.42911 15.8977 26.3451 -38.4201 26.3433 -110.544 GPRESSURE: 3450400 64.6565 7.9413 -0.971848 -2.0324 -14.0804 30.3242 -62.7023 63.2764 -78.5366 PRESSAVG: 3450400 23.071 -7.44922 -12.0995 -7.44919 17.0747 -13.9925 -12.0995 -13.9926 -74.4719 GPRESSAVG: 3450400 22.2855 -8.35887 -9.92677 -7.48719 17.6341 -15.2977 -12.2878 -12.3667 -74.0973 TIMING: 3450400 CPU: 10320.4, 0.00304256/step Wall: 10320.4, 0.00304256/step, 1.30965 hours remaining, 205.878906 MB of memory in use. ENERGY: 3450400 770.4679 2210.3088 1939.1706 111.2858 -206059.2351 17576.4106 0.0000 0.0000 34250.5957 -149200.9958 299.1190 -183451.5914 -149103.3577 299.1446 -44.4342 -9.3202 554810.4489 -11.4421 -11.3926 PRESSURE: 3450600 -276.01 -26.1561 -43.6227 -26.1566 -364.12 -51.3373 -43.6232 -51.3389 -182.294 GPRESSURE: 3450600 -234.118 38.6132 41.2331 -14.7229 -340.854 -36.5254 -137.296 -95.8496 -163.823 PRESSAVG: 3450600 45.4429 4.39185 -13.9236 4.3918 40.0502 -16.4469 -13.9235 -16.4469 -115.034 GPRESSAVG: 3450600 44.4965 6.99289 -12.0879 4.80077 41.4335 -14.3899 -14.6939 -19.5493 -115.449 TIMING: 3450600 CPU: 10321, 0.0030373/step Wall: 10321, 0.0030373/step, 1.30722 hours remaining, 205.878906 MB of memory in use. ENERGY: 3450600 790.7233 2084.4183 1942.4412 110.5147 -205712.3927 17324.7140 0.0000 0.0000 34370.2133 -149089.3679 300.1636 -183459.5812 -148995.1369 299.9519 -274.1416 -246.2648 557880.3808 -9.8469 -9.8396 PRESSURE: 3450800 123.139 -58.8382 -73.0668 -58.8391 40.6776 98.4672 -73.0684 98.4676 -126.679 GPRESSURE: 3450800 144.295 -79.1333 -145.946 -76.2098 71.574 106.202 6.69437 115.844 -83.245 PRESSAVG: 3450800 25.9681 13.9173 -31.5954 13.9174 11.836 -42.9052 -31.5953 -42.9052 -17.5392 GPRESSAVG: 3450800 25.5859 11.2223 -32.4117 15.4605 11.9812 -42.8556 -33.2432 -39.6412 -17.0342 TIMING: 3450800 CPU: 10321.6, 0.00304315/step Wall: 10321.6, 0.00304315/step, 1.30957 hours remaining, 205.878906 MB of memory in use. ENERGY: 3450800 774.8981 2166.2887 1939.6522 119.6635 -206273.5437 17852.0007 0.0000 0.0000 34372.5071 -149048.5334 300.1837 -183421.0405 -148953.0510 299.9984 12.3794 44.2079 557085.8767 6.7550 6.8443 PRESSURE: 3451000 -82.286 -8.45826 3.25867 -8.45899 114.145 99.1187 3.25796 99.1187 177.989 GPRESSURE: 3451000 -54.4437 -42.3889 -5.08229 23.4102 132.689 57.5289 -37.0829 98.9488 221.002 PRESSAVG: 3451000 -11.8728 -12.5296 -46.8169 -12.5296 35.4856 23.9909 -46.8168 23.9909 -34.799 GPRESSAVG: 3451000 -10.5543 -12.6536 -48.9138 -12.7365 34.1104 23.0835 -45.7131 20.0547 -34.6219 TIMING: 3451000 CPU: 10322.2, 0.00301682/step Wall: 10322.2, 0.00301682/step, 1.29807 hours remaining, 205.878906 MB of memory in use. ENERGY: 3451000 793.5112 2125.7023 1963.7964 115.3571 -206309.0104 17914.7379 0.0000 0.0000 34380.8301 -149015.0755 300.2563 -183395.9056 -148924.6310 300.6882 69.9492 99.7492 557432.4888 -3.7288 -3.6886 PRESSURE: 3451200 -9.98505 -80.8695 -56.1757 -80.8679 -22.4533 -55.9321 -56.1754 -55.9327 -28.7798 GPRESSURE: 3451200 27.6192 -119.384 -53.3914 -136.705 54.8118 -30.4465 -19.7219 -36.5001 -49.8833 PRESSAVG: 3451200 53.6294 -28.4781 -55.501 -28.478 61.3497 -27.2678 -55.501 -27.2677 -112.059 GPRESSAVG: 3451200 53.7988 -27.7441 -53.9129 -30.865 61.5916 -26.272 -54.5258 -25.0634 -112.698 TIMING: 3451200 CPU: 10322.9, 0.00303849/step Wall: 10322.9, 0.00303849/step, 1.30723 hours remaining, 205.878906 MB of memory in use. ENERGY: 3451200 736.1552 2122.2758 1936.9410 115.9002 -206572.9721 17991.2457 0.0000 0.0000 34317.3866 -149353.0676 299.7023 -183670.4542 -149254.3253 299.8171 -20.4061 10.8492 556724.6167 0.9733 0.8974 PRESSURE: 3451400 262.75 -197.344 -148.688 -197.344 -25.899 -20.3574 -148.69 -20.3577 136.886 GPRESSURE: 3451400 286.391 -259.471 -189.804 -235.996 16.6589 38.6931 -168.022 -136.524 168.34 PRESSAVG: 3451400 -55.2438 -93.3784 -142.092 -93.3783 -9.37086 25.3252 -142.092 25.3252 56.7878 GPRESSAVG: 3451400 -55.2951 -93.238 -144.92 -93.3837 -9.38751 26.6889 -141.771 25.3783 57.1732 TIMING: 3451400 CPU: 10323.5, 0.00303304/step Wall: 10323.5, 0.00303304/step, 1.30471 hours remaining, 205.878906 MB of memory in use. ENERGY: 3451400 702.1693 2142.9938 1938.9671 117.1092 -206183.5152 17809.2574 0.0000 0.0000 34124.5039 -149348.5146 298.0178 -183473.0184 -149253.0393 298.9025 124.5789 157.1298 555618.8698 -2.6090 -2.5031 PRESSURE: 3451600 -8.13159 -168.275 15.4019 -168.275 -29.7707 212.174 15.4 212.174 23.6285 GPRESSURE: 3451600 90.4488 -260.989 35.2528 -141.56 -15.9424 197.479 -14.6697 150.865 10.3786 PRESSAVG: 3451600 -17.6597 -25.8812 -69.713 -25.8811 0.174717 18.6331 -69.713 18.6332 3.41236 GPRESSAVG: 3451600 -16.1737 -28.3179 -69.8215 -25.424 -0.0131311 15.541 -69.9195 20.039 1.89085 TIMING: 3451600 CPU: 10324.1, 0.00301717/step Wall: 10324.1, 0.00301717/step, 1.29772 hours remaining, 205.878906 MB of memory in use. ENERGY: 3451600 755.6052 2101.3164 1907.1987 114.1183 -206514.7702 18076.5710 0.0000 0.0000 34292.3497 -149267.6109 299.4836 -183559.9606 -149165.6797 298.7923 -4.7579 28.2950 556727.8482 -4.6909 -4.7653 PRESSURE: 3451800 -170.563 85.5397 98.3148 85.5389 29.1357 20.34 98.3159 20.3401 29.7249 GPRESSURE: 3451800 -171.802 86.5854 28.5278 98.611 93.7225 55.102 117.628 -49.6752 68.4476 PRESSAVG: 3451800 55.5845 -5.52398 -55.5243 -5.5239 -59.1145 33.4728 -55.5242 33.4729 25.1478 GPRESSAVG: 3451800 54.001 -2.48516 -55.7885 -7.288 -58.6209 34.94 -55.6519 33.0304 25.8655 TIMING: 3451800 CPU: 10324.7, 0.00301838/step Wall: 10324.7, 0.00301838/step, 1.29807 hours remaining, 205.878906 MB of memory in use. ENERGY: 3451800 771.3940 2072.0156 1924.6098 112.2965 -206335.5519 17931.6871 0.0000 0.0000 34363.2192 -149160.3297 300.1025 -183523.5489 -149061.5986 299.6904 -37.2342 -3.2105 557992.8701 7.2060 7.0819 PRESSURE: 3452000 60.6133 42.9735 -73.4966 42.9744 -343.635 15.508 -73.4964 15.5089 39.1434 GPRESSURE: 3452000 85.6198 33.0318 -67.2338 2.90668 -323.982 44.8728 -87.3619 -17.6111 109.865 PRESSAVG: 3452000 31.0631 -18.403 -26.6476 -18.403 0.10673 41.5235 -26.6475 41.5235 -14.0312 GPRESSAVG: 3452000 30.8593 -19.6002 -24.6393 -16.8546 -0.00498439 39.8276 -27.5489 43.8038 -13.7078 TIMING: 3452000 CPU: 10325.3, 0.0030165/step Wall: 10325.3, 0.0030165/step, 1.29709 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: 3452000 777.8650 2091.5471 1921.0897 113.0181 -205902.1125 17635.7880 0.0000 0.0000 34275.1924 -149087.6123 299.3338 -183362.8046 -148989.4270 300.0615 -81.2927 -42.8321 556606.6618 5.7129 5.7155 PRESSURE: 3452200 4.83229 3.48096 132.272 3.48165 -79.8796 21.271 132.273 21.2701 201.607 GPRESSURE: 3452200 70.0009 13.4826 44.5589 4.43823 15.3611 -52.5338 174.304 55.0335 134.964 PRESSAVG: 3452200 1.41902 50.0297 37.4971 50.0297 -36.3252 36.5971 37.4971 36.5971 30.1065 GPRESSAVG: 3452200 2.11603 50.8179 36.4639 49.4218 -35.4064 37.6839 37.1742 35.086 28.2586 TIMING: 3452200 CPU: 10325.9, 0.00304944/step Wall: 10325.9, 0.00304944/step, 1.31109 hours remaining, 205.878906 MB of memory in use. ENERGY: 3452200 733.3941 2100.7250 1970.2058 113.5906 -206073.1591 17670.0562 0.0000 0.0000 34476.9976 -149008.1897 301.0962 -183485.1874 -148912.0913 299.8149 42.1865 73.4420 556770.7575 -1.5999 -1.6772 LDB: ============= START OF LOAD BALANCING ============== 10329.3 LDB: ============== END OF LOAD BALANCING =============== 10329.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10329.3 LDB: ============= START OF LOAD BALANCING ============== 10329.6 LDB: Largest compute 4820 load 0.026274 is 22.3% of average load 0.118017 LDB: Average compute 0.001718 is 1.5% of average load 0.118017 LDB: TIME 10329.6 LOAD: AVG 0.118017 MAX 0.220644 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.418 MB LDB: TIME 10329.6 LOAD: AVG 0.118017 MAX 0.220644 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.426 MB LDB: TIME 10329.6 LOAD: AVG 0.118017 MAX 0.220644 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10329.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10329.6 PRESSURE: 3452400 137.858 61.2794 125.625 61.28 113.53 -22.5409 125.625 -22.5423 -53.3635 GPRESSURE: 3452400 214.99 112.734 178.366 -9.36405 87.0988 -40.5821 132.955 59.8873 -7.08464 PRESSAVG: 3452400 2.54607 21.3674 84.8331 21.3675 16.3819 -32.2274 84.833 -32.2274 -1.81575 GPRESSAVG: 3452400 2.44984 21.5087 85.0019 22.1538 16.6924 -31.2092 84.3885 -31.3379 -1.78406 TIMING: 3452400 CPU: 10326.5, 0.00310184/step Wall: 10326.5, 0.00310184/step, 1.33345 hours remaining, 206.648438 MB of memory in use. ENERGY: 3452400 758.9783 2126.9178 1960.3905 105.2701 -206125.7211 17945.9752 0.0000 0.0000 34288.2056 -148939.9836 299.4474 -183228.1892 -148845.5296 300.5203 66.0084 98.3346 558044.6959 5.7041 5.7861 PRESSURE: 3452600 -12.4137 -89.1527 149.529 -89.1536 -322.99 43.1148 149.53 43.1144 -19.7335 GPRESSURE: 3452600 -17.0145 -140.566 125.474 9.84957 -246.469 61.543 146.308 44.5689 12.509 PRESSAVG: 3452600 45.7372 7.45251 0.497827 7.45246 -44.8766 -16.0191 0.497855 -16.019 -26.4686 GPRESSAVG: 3452600 43.828 7.58392 1.42659 7.81197 -45.1078 -15.5589 1.67228 -17.9572 -24.2061 TIMING: 3452600 CPU: 10327.1, 0.00304697/step Wall: 10327.1, 0.00304697/step, 1.30969 hours remaining, 206.648438 MB of memory in use. ENERGY: 3452600 799.2642 2111.4630 1926.5072 112.4593 -205690.8054 17639.5767 0.0000 0.0000 34051.7526 -149049.7825 297.3824 -183101.5351 -148946.0550 300.1087 -118.3791 -83.6581 558800.5516 -8.5360 -8.4953 PRESSURE: 3452800 -29.1367 51.7472 268.587 51.7459 166.858 2.50818 268.587 2.50854 -62.5451 GPRESSURE: 3452800 63.72 29.6117 234.974 63.1369 152.949 8.17786 182.567 37.4534 -36.3715 PRESSAVG: 3452800 -53.8406 5.29154 45.5621 5.29149 48.8279 -37.6578 45.562 -37.6577 -64.9314 GPRESSAVG: 3452800 -50.3504 3.9011 41.2521 5.5604 47.1988 -37.8656 44.5937 -37.6605 -66.5314 TIMING: 3452800 CPU: 10327.7, 0.0030502/step Wall: 10327.7, 0.0030502/step, 1.31091 hours remaining, 206.648438 MB of memory in use. ENERGY: 3452800 744.6344 2146.5024 1904.2788 110.5194 -206008.2005 17673.8231 0.0000 0.0000 34478.4398 -148950.0027 301.1088 -183428.4425 -148854.4148 299.9098 25.0588 60.0992 556980.8274 -23.3147 -23.2277 PRESSURE: 3453000 127.719 -52.74 77.494 -52.7407 -3.9303 -21.4536 77.4934 -21.4526 115.148 GPRESSURE: 3453000 107.297 -64.8963 74.7041 -71.7263 59.2301 63.5614 88.4422 -97.3124 181.752 PRESSAVG: 3453000 39.8338 20.7731 81.2595 20.7731 -5.89851 -14.7451 81.2595 -14.7451 -43.2127 GPRESSAVG: 3453000 37.5515 23.2193 82.9149 20.0735 -4.94828 -13.4124 81.5709 -15.1543 -42.0845 TIMING: 3453000 CPU: 10328.3, 0.00306227/step Wall: 10328.3, 0.00306227/step, 1.31592 hours remaining, 206.648438 MB of memory in use. ENERGY: 3453000 763.0852 2145.3014 1932.2781 123.7485 -206283.3115 17905.5231 0.0000 0.0000 34481.5677 -148931.8074 301.1361 -183413.3751 -148830.5001 300.8788 79.6458 116.0929 556537.3708 -3.0925 -3.1604 PRESSURE: 3453200 -219.655 37.7264 119.847 37.727 96.3329 -122.893 119.846 -122.894 -134.552 GPRESSURE: 3453200 -197.248 -7.40309 84.426 -15.0958 180.86 -140.08 42.8048 -30.8401 -138.356 PRESSAVG: 3453200 13.715 -7.2749 67.4971 -7.27496 30.496 -4.72184 67.497 -4.7219 -63.2849 GPRESSAVG: 3453200 14.1619 -9.34532 68.1769 -6.5873 32.038 -7.61207 67.9883 -3.35516 -65.33 TIMING: 3453200 CPU: 10328.9, 0.00304263/step Wall: 10328.9, 0.00304263/step, 1.30732 hours remaining, 206.648438 MB of memory in use. ENERGY: 3453200 766.1761 2128.3596 1931.2414 109.0662 -205678.2651 17491.3499 0.0000 0.0000 34276.2769 -148975.7950 299.3433 -183252.0719 -148884.3132 300.1344 -85.9581 -51.5812 557414.0231 -6.3580 -6.3767 PRESSURE: 3453400 139.05 -120.021 -53.0777 -120.022 79.0284 -115.357 -53.079 -115.357 22.344 GPRESSURE: 3453400 142.627 -119.404 -125.312 -136.109 93.7084 -102.024 0.00330763 -143.374 94.612 PRESSAVG: 3453400 -58.4885 -23.6705 -1.304 -23.6705 70.6152 19.5729 -1.30399 19.573 -18.2668 GPRESSAVG: 3453400 -58.2788 -23.1259 -1.42071 -23.8879 69.2711 21.4487 -1.55678 19.542 -17.5166 TIMING: 3453400 CPU: 10329.5, 0.00303222/step Wall: 10329.5, 0.00303222/step, 1.30268 hours remaining, 206.648438 MB of memory in use. ENERGY: 3453400 743.1906 2133.1183 1976.0121 113.7199 -206019.0330 17687.7773 0.0000 0.0000 34334.9725 -149030.2423 299.8559 -183365.2149 -148941.0785 299.6134 80.1407 110.3159 556288.0376 -2.0467 -2.1748 PRESSURE: 3453600 -66.9547 13.321 33.5294 13.3221 139.725 -106.904 33.5304 -106.906 -34.6393 GPRESSURE: 3453600 -42.0475 24.2117 60.4025 21.4069 164.058 -113.496 83.0968 -140.75 27.393 PRESSAVG: 3453600 -48.839 -24.8295 23.4358 -24.8296 35.026 11.1307 23.4358 11.1307 -4.40138 GPRESSAVG: 3453600 -48.1519 -24.1806 22.7216 -24.7104 34.5756 8.97928 25.453 13.8447 -4.77471 TIMING: 3453600 CPU: 10330.2, 0.00306172/step Wall: 10330.2, 0.00306172/step, 1.31518 hours remaining, 206.648438 MB of memory in use. ENERGY: 3453600 759.6506 2064.5486 1939.5668 122.2689 -206223.0544 17839.7258 0.0000 0.0000 34344.8719 -149152.4218 299.9423 -183497.2936 -149047.4612 299.1875 12.7104 49.8013 558054.0391 -6.0715 -6.1170 PRESSURE: 3453800 -1.87236 99.5217 85.8922 99.5224 42.2679 -4.7958 85.8922 -4.7964 73.6446 GPRESSURE: 3453800 17.5019 67.2241 89.8091 59.4784 133.146 -4.56808 44.6892 -32.3178 47.1576 PRESSAVG: 3453800 -23.3435 42.2705 -4.72865 42.2705 -15.9599 -34.333 -4.72866 -34.3331 49.1672 GPRESSAVG: 3453800 -24.9568 42.7783 -2.97499 42.4223 -15.5201 -31.5201 -7.60579 -36.6658 50.4369 TIMING: 3453800 CPU: 10330.8, 0.00307027/step Wall: 10330.8, 0.00307027/step, 1.31868 hours remaining, 206.648438 MB of memory in use. ENERGY: 3453800 728.6517 2149.6057 1946.0117 117.1319 -206124.3101 17881.3515 0.0000 0.0000 34178.2933 -149123.2642 298.4875 -183301.5575 -149037.0837 299.6554 38.0134 65.9350 557883.4574 3.2879 3.3200 PRESSURE: 3454000 -14.6363 58.5147 63.2285 58.5144 -59.9782 43.8981 63.2284 43.8978 -64.2895 GPRESSURE: 3454000 -1.81104 83.4508 52.1454 36.3221 -40.2035 19.0228 49.9655 5.66255 -10.8694 PRESSAVG: 3454000 -56.9839 35.09 6.13074 35.0901 11.0919 -51.089 6.13073 -51.089 55.0362 GPRESSAVG: 3454000 -54.9791 34.3298 6.69643 36.0504 9.69798 -52.5276 9.3333 -50.6408 54.0751 TIMING: 3454000 CPU: 10331.4, 0.00305151/step Wall: 10331.4, 0.00305151/step, 1.31045 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: 3454000 738.2751 2104.9982 1953.2388 111.5242 -205992.7924 17627.3852 0.0000 0.0000 34415.5243 -149041.8466 300.5593 -183457.3709 -148940.3932 299.9437 -46.3013 -17.6280 557374.0786 3.0481 2.9313 PRESSURE: 3454200 -133.127 -7.51976 -133.218 -7.52025 5.62134 3.33135 -133.216 3.33147 16.4356 GPRESSURE: 3454200 -65.0327 37.1454 -210.594 -52.8578 47.89 -18.3477 -48.6862 12.6213 2.39652 PRESSAVG: 3454200 -25.2457 -8.79256 -2.45797 -8.79255 -53.4938 14.3574 -2.45788 14.3573 78.3236 GPRESSAVG: 3454200 -26.1602 -8.4553 -1.93203 -11.2894 -52.1023 13.7323 -4.57422 12.9682 77.7716 TIMING: 3454200 CPU: 10332, 0.00304553/step Wall: 10332, 0.00304553/step, 1.30772 hours remaining, 206.648438 MB of memory in use. ENERGY: 3454200 734.9267 2108.7177 1958.7370 121.4208 -206006.7956 17641.4994 0.0000 0.0000 34252.4291 -149189.0649 299.1350 -183441.4940 -149093.0996 300.0536 -37.0233 -4.9154 557148.2699 -0.1386 -0.1636 PRESSURE: 3454400 100.705 -12.6845 248.019 -12.6854 22.9659 21.9145 248.019 21.9136 -305.176 GPRESSURE: 3454400 114.52 2.65524 324.88 -9.49594 22.5216 -48.072 175.234 86.6353 -209.176 PRESSAVG: 3454400 30.051 34.2112 13.6976 34.2113 -8.76036 31.3091 13.6976 31.3092 -19.5887 GPRESSAVG: 3454400 29.1569 32.6087 12.7226 38.714 -8.04785 31.6527 14.1293 31.9509 -19.449 TIMING: 3454400 CPU: 10332.6, 0.00302483/step Wall: 10332.6, 0.00302483/step, 1.29866 hours remaining, 206.648438 MB of memory in use. ENERGY: 3454400 757.5165 2150.6945 1918.9341 117.9562 -206049.8231 17753.8273 0.0000 0.0000 34252.3405 -149098.5538 299.1342 -183350.8944 -148998.9213 299.5703 -60.5016 -24.0446 555643.4101 0.5673 0.5533 PRESSURE: 3454600 -127.649 -23.645 -3.58294 -23.6458 185.941 -34.5009 -3.58231 -34.5 72.2828 GPRESSURE: 3454600 -108.778 -67.7036 -94.1682 64.6126 240.748 -14.4086 -6.93577 -41.2554 87.7526 PRESSAVG: 3454600 -1.62448 -17.2837 26.481 -17.2837 21.3202 -22.9546 26.481 -22.9546 -19.388 GPRESSAVG: 3454600 -1.49208 -15.2151 25.2008 -19.3018 20.1309 -23.9436 26.667 -22.804 -19.2385 TIMING: 3454600 CPU: 10333.2, 0.00304533/step Wall: 10333.2, 0.00304533/step, 1.30729 hours remaining, 206.648438 MB of memory in use. ENERGY: 3454600 755.2486 2134.3703 1951.5507 116.5898 -206018.6654 17712.4855 0.0000 0.0000 34174.8133 -149173.6072 298.4571 -183348.4204 -149083.7198 299.8831 43.5248 73.2410 555971.4708 0.1026 -0.1999 PRESSURE: 3454800 -96.6734 -29.3848 -157.604 -29.385 -53.1491 -86.1001 -157.605 -86.0999 -40.3628 GPRESSURE: 3454800 -68.1352 30.2198 -206.215 10.4565 40.5951 36.0612 -195.615 -150.66 -60.008 PRESSAVG: 3454800 71.6449 -19.1546 13.973 -19.1545 64.6128 -11.1428 13.973 -11.1427 -53.8137 GPRESSAVG: 3454800 71.6582 -19.6788 13.145 -21.5815 65.3613 -10.136 16.5112 -12.3244 -54.9758 TIMING: 3454800 CPU: 10333.8, 0.00305084/step Wall: 10333.8, 0.00305084/step, 1.30949 hours remaining, 206.648438 MB of memory in use. ENERGY: 3454800 773.0603 2137.0205 1968.1097 122.1770 -206311.8930 17836.4591 0.0000 0.0000 34216.5511 -149258.5153 298.8217 -183475.0664 -149166.0073 299.7881 -63.3951 -29.1827 558096.9900 27.4813 27.3479 PRESSURE: 3455000 -47.1499 70.5952 -182.825 70.5952 -152.891 -118.839 -182.825 -118.839 148.732 GPRESSURE: 3455000 19.4116 29.8779 -104.174 49.6097 -205.024 -131.784 -219.199 -108.678 227.734 PRESSAVG: 3455000 22.4648 -2.39647 20.1805 -2.39658 13.3512 1.67266 20.1805 1.67267 -27.066 GPRESSAVG: 3455000 23.0284 -4.01769 20.2124 -0.117176 11.3073 3.26054 18.3363 1.19193 -25.6704 TIMING: 3455000 CPU: 10334.4, 0.00305963/step Wall: 10334.4, 0.00305963/step, 1.31309 hours remaining, 206.648438 MB of memory in use. ENERGY: 3455000 730.5262 2172.8813 1954.4574 110.7169 -206377.3289 17805.7506 0.0000 0.0000 34220.3267 -149382.6698 298.8546 -183602.9965 -149284.3468 298.8925 -17.1030 14.0404 557869.4979 2.9167 2.8884 PRESSURE: 3455200 66.2628 -171.15 -127.224 -171.149 47.506 -90.1193 -127.223 -90.1197 153.283 GPRESSURE: 3455200 136.94 -75.3376 -30.294 -164.063 51.5751 -64.1495 -159.271 -59.608 180.303 PRESSAVG: 3455200 86.1009 14.4246 -38.6006 14.4246 -43.0823 -19.8611 -38.6007 -19.8611 -62.7664 GPRESSAVG: 3455200 86.0553 13.9833 -36.7431 14.8941 -42.0083 -21.8551 -40.6736 -17.4087 -64.0752 TIMING: 3455200 CPU: 10335, 0.0030426/step Wall: 10335, 0.0030426/step, 1.30562 hours remaining, 206.648438 MB of memory in use. ENERGY: 3455200 763.7121 2130.2446 1942.5838 113.1727 -206547.5048 18016.9349 0.0000 0.0000 34202.9506 -149377.9061 298.7029 -183580.8567 -149281.9526 299.4527 89.0172 122.9392 557826.6876 -6.5826 -6.6761 PRESSURE: 3455400 111.651 -164.637 67.9439 -164.637 -72.5658 -158.974 67.9424 -158.973 387.263 GPRESSURE: 3455400 83.5622 -251.995 181.593 -96.608 0.31436 -111.556 73.5165 -195.709 437.046 PRESSAVG: 3455400 -28.7482 12.8513 78.208 12.8512 -12.4281 14.31 78.2079 14.3099 63.4738 GPRESSAVG: 3455400 -29.6438 15.6479 79.3354 10.6092 -12.1713 15.6976 79.3508 13.1213 64.1635 TIMING: 3455400 CPU: 10335.6, 0.00304139/step Wall: 10335.6, 0.00304139/step, 1.30493 hours remaining, 206.648438 MB of memory in use. ENERGY: 3455400 787.4483 2076.1066 1933.6721 106.4223 -206755.4030 18230.0494 0.0000 0.0000 34144.4328 -149477.2713 298.1918 -183621.7042 -149385.6814 299.3482 142.1161 173.6409 557147.4855 7.4325 7.4494 PRESSURE: 3455600 -29.6657 164.717 102.427 164.717 -265.074 187.131 102.427 187.13 -24.5248 GPRESSURE: 3455600 -24.8817 156.92 72.9343 229.107 -231.654 280.574 86.1824 95.1019 31.452 PRESSAVG: 3455600 -45.9624 11.5343 51.0374 11.5342 -27.9873 32.5036 51.0373 32.5036 -1.09111 GPRESSAVG: 3455600 -45.9367 8.37019 50.0277 13.8432 -26.9244 31.228 50.1817 32.3465 -1.44569 TIMING: 3455600 CPU: 10336.3, 0.00304635/step Wall: 10336.3, 0.00304635/step, 1.30688 hours remaining, 206.648438 MB of memory in use. ENERGY: 3455600 753.2228 2111.3325 1976.1241 143.7873 -206411.1299 17860.0695 0.0000 0.0000 34170.6224 -149395.9713 298.4205 -183566.5937 -149298.5247 298.3244 -106.4214 -75.0280 558392.4005 -25.0136 -24.7689 PRESSURE: 3455800 200.806 -69.6955 55.8384 -69.6964 18.5195 -37.1503 55.8378 -37.1522 73.1872 GPRESSURE: 3455800 228.779 -15.7494 55.8858 -68.9951 44.1022 63.2915 111.925 -38.268 107.85 PRESSAVG: 3455800 -2.70088 30.0948 31.167 30.0949 -33.4198 17.4039 31.1669 17.4039 25.1571 GPRESSAVG: 3455800 -1.58906 31.2366 29.3448 30.3713 -34.9679 17.1699 34.2762 19.7839 26.0088 TIMING: 3455800 CPU: 10336.9, 0.00304079/step Wall: 10336.9, 0.00304079/step, 1.30433 hours remaining, 206.648438 MB of memory in use. ENERGY: 3455800 757.2596 2101.1677 1948.5121 129.8173 -206808.9553 18085.4332 0.0000 0.0000 34289.0804 -149497.6850 299.4551 -183786.7654 -149401.0515 298.8944 97.5043 126.9103 555893.7900 -3.6545 -3.5161 PRESSURE: 3456000 403.411 -16.0068 -91.2696 -16.0064 98.9027 -23.804 -91.2698 -23.8038 254.261 GPRESSURE: 3456000 456.605 -53.2889 48.5849 10.5164 94.1965 -17.0306 -149.54 -4.14649 296.838 PRESSAVG: 3456000 35.8151 49.4565 20.5537 49.4566 -47.9194 1.96326 20.5537 1.96327 -31.7896 GPRESSAVG: 3456000 34.8254 50.6298 22.2033 46.0739 -45.991 3.89472 19.0116 -0.175225 -32.5772 TIMING: 3456000 CPU: 10337.5, 0.00305355/step Wall: 10337.5, 0.00305355/step, 1.30963 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: 3456000 722.9940 2136.8065 1945.9777 116.0378 -206818.7301 18155.9662 0.0000 0.0000 34113.2832 -149627.6648 297.9198 -183740.9480 -149533.8376 298.3744 252.1914 282.5463 555367.9648 -14.6313 -14.5810 PRESSURE: 3456200 -229.341 182.155 -101.382 182.154 49.3859 113.445 -101.383 113.444 4.11809 GPRESSURE: 3456200 -210.848 199.843 -144.639 184.268 111.883 121.523 -64.7827 80.6139 13.5186 PRESSAVG: 3456200 10.2374 -10.4772 1.67946 -10.4772 18.3902 -31.3301 1.67945 -31.3304 -17.025 GPRESSAVG: 3456200 10.2064 -11.8468 2.47351 -8.25707 18.4352 -31.9289 -0.188403 -32.4098 -16.7532 TIMING: 3456200 CPU: 10338.1, 0.00306158/step Wall: 10338.1, 0.00306158/step, 1.31291 hours remaining, 206.648438 MB of memory in use. ENERGY: 3456200 754.5415 2055.0923 1961.9264 110.5372 -206136.1445 17658.0424 0.0000 0.0000 34016.0580 -149579.9468 297.0707 -183596.0048 -149482.8349 298.1380 -58.6124 -28.4824 556754.6089 3.8675 3.9628 LDB: ============= START OF LOAD BALANCING ============== 10341.5 LDB: ============== END OF LOAD BALANCING =============== 10341.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10341.5 LDB: ============= START OF LOAD BALANCING ============== 10341.8 LDB: Largest compute 4820 load 0.027001 is 22.9% of average load 0.118123 LDB: Average compute 0.001714 is 1.5% of average load 0.118123 LDB: TIME 10341.8 LOAD: AVG 0.118123 MAX 0.223071 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.703 MB LDB: TIME 10341.8 LOAD: AVG 0.118123 MAX 0.223071 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.703 MB LDB: TIME 10341.8 LOAD: AVG 0.118123 MAX 0.223071 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10341.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10341.8 PRESSURE: 3456400 -109.7 -29.9891 -168.367 -29.9883 8.8294 2.1687 -168.368 2.16686 -65.9253 GPRESSURE: 3456400 -71.1146 -42.9942 -161.523 -66.7372 13.5259 -23.4384 -143.615 -33.5709 -31.6465 PRESSAVG: 3456400 36.4542 3.26959 -33.0301 3.26959 37.8739 19.5692 -33.03 19.5692 -60.5709 GPRESSAVG: 3456400 36.3466 4.3687 -33.4784 2.85026 36.7522 16.8165 -32.1964 21.1876 -59.264 TIMING: 3456400 CPU: 10338.7, 0.00312983/step Wall: 10338.7, 0.00312983/step, 1.342 hours remaining, 205.964844 MB of memory in use. ENERGY: 3456400 737.5979 2098.7024 1937.0539 120.7512 -206131.6225 17699.0564 0.0000 0.0000 33945.3995 -149593.0612 296.4536 -183538.4607 -149499.0524 298.2490 -55.5986 -29.7450 557133.3026 4.5857 4.6116 PRESSURE: 3456600 -237.537 -5.50684 29.5686 -5.5073 -334.91 175.598 29.5675 175.599 43.423 GPRESSURE: 3456600 -178.674 -21.1014 25.5434 -7.47852 -299.108 189.345 -21.8999 243.074 27.2007 PRESSAVG: 3456600 6.1586 -5.28205 -56.5265 -5.28208 -14.162 30.6492 -56.5265 30.6492 11.2089 GPRESSAVG: 3456600 6.15085 -7.04141 -56.7674 -4.31889 -13.2147 33.2123 -56.8422 30.9992 9.97191 TIMING: 3456600 CPU: 10339.3, 0.00304343/step Wall: 10339.3, 0.00304343/step, 1.30479 hours remaining, 205.964844 MB of memory in use. ENERGY: 3456600 754.7212 2061.8802 1933.4233 114.4982 -206311.9240 17518.3115 0.0000 0.0000 34291.7832 -149637.3064 299.4787 -183929.0896 -149537.1600 298.3731 -176.3412 -150.1939 555655.4846 1.0685 0.9694 PRESSURE: 3456800 38.7041 1.56993 -44.096 1.57102 -6.56664 -131.938 -44.0949 -131.937 -109.941 GPRESSURE: 3456800 17.1408 92.3615 -69.006 -76.4834 23.8162 -90.9146 -51.5449 -249.399 -34.1135 PRESSAVG: 3456800 5.81141 -1.59797 -47.7306 -1.59792 6.97162 22.3615 -47.7306 22.3614 27.9772 GPRESSAVG: 3456800 5.54343 0.370116 -49.2872 -3.88913 6.86625 21.8685 -47.3462 20.847 28.1597 TIMING: 3456800 CPU: 10339.9, 0.00303269/step Wall: 10339.9, 0.00303269/step, 1.30001 hours remaining, 205.964844 MB of memory in use. ENERGY: 3456800 759.1463 2074.8946 1930.5062 108.2519 -206646.7812 17873.2442 0.0000 0.0000 34248.2365 -149652.5015 299.0984 -183900.7380 -149553.2070 297.9617 -25.9347 2.2812 555677.8951 13.5868 13.5231 PRESSURE: 3457000 428.998 15.5786 -39.5418 15.5785 112.917 17.4282 -39.5412 17.4284 49.9263 GPRESSURE: 3457000 429.78 29.6588 -29.7329 -86.2175 161.265 49.4658 8.58956 24.0817 106.913 PRESSAVG: 3457000 51.2469 -8.23391 -33.9723 -8.23402 -20.1916 -51.886 -33.9723 -51.886 -0.54776 GPRESSAVG: 3457000 51.5413 -8.22906 -30.6564 -7.10889 -21.2175 -50.1086 -32.7584 -50.927 0.0685614 TIMING: 3457000 CPU: 10340.5, 0.00301572/step Wall: 10340.5, 0.00301572/step, 1.29257 hours remaining, 205.964844 MB of memory in use. ENERGY: 3457000 761.2474 2055.0554 1943.8747 123.7958 -206921.0658 18273.7095 0.0000 0.0000 34081.4726 -149681.9105 297.6420 -183763.3830 -149581.8858 298.2852 197.2804 232.6525 556366.6045 10.1692 10.1308 PRESSURE: 3457200 32.0475 133.345 -19.0728 133.346 110.804 202.852 -19.0731 202.851 -28.3927 GPRESSURE: 3457200 93.5007 111.834 -18.6532 144.346 126.342 128.932 -10.1124 224.477 -16.9996 PRESSAVG: 3457200 55.0798 -18.5106 17.3774 -18.5106 13.0348 -40.6776 17.3774 -40.6775 -55.6849 GPRESSAVG: 3457200 55.4648 -17.4375 17.1987 -18.4475 13.6645 -43.9834 14.8971 -39.1235 -56.5957 TIMING: 3457200 CPU: 10341.1, 0.00300986/step Wall: 10341.1, 0.00300986/step, 1.28989 hours remaining, 205.964844 MB of memory in use. ENERGY: 3457200 765.5088 2139.8070 1930.9794 105.5721 -206708.4930 17955.8642 0.0000 0.0000 34101.6722 -149709.0893 297.8184 -183810.7615 -149614.5034 297.5633 38.1530 67.6142 557476.9169 4.1432 4.1778 PRESSURE: 3457400 -73.1031 -13.9792 96.9073 -13.9782 75.1279 83.7203 96.9084 83.7198 66.272 GPRESSURE: 3457400 -52.6058 -35.9523 214.936 17.3023 120.51 54.1078 116.638 30.7263 102.06 PRESSAVG: 3457400 40.022 5.99061 32.5109 5.99059 34.9635 52.6198 32.5109 52.6199 -39.7927 GPRESSAVG: 3457400 39.7464 2.95581 31.0224 6.72204 35.0629 52.1747 34.4801 52.0678 -39.535 TIMING: 3457400 CPU: 10341.7, 0.00303818/step Wall: 10341.7, 0.00303818/step, 1.30186 hours remaining, 205.964844 MB of memory in use. ENERGY: 3457400 747.8861 2065.5987 1955.1884 100.5592 -206510.4760 17901.3735 0.0000 0.0000 34119.9064 -149619.9637 297.9776 -183739.8701 -149527.2221 297.7991 22.7656 56.6549 556742.5066 11.7309 11.7581 PRESSURE: 3457600 -1.00147 -64.5614 63.1727 -64.5608 254.686 129.642 63.1743 129.643 103.677 GPRESSURE: 3457600 88.1523 -77.5747 57.3752 -164.164 235.554 156.36 68.2522 69.9472 127.568 PRESSAVG: 3457600 -28.9011 62.855 46.6016 62.8551 17.5773 30.97 46.6017 30.9699 -41.9242 GPRESSAVG: 3457600 -28.879 63.9395 46.1948 62.2452 16.7094 32.834 46.2623 30.7668 -41.9789 TIMING: 3457600 CPU: 10342.4, 0.00304685/step Wall: 10342.4, 0.00304685/step, 1.30541 hours remaining, 205.964844 MB of memory in use. ENERGY: 3457600 716.5482 2083.7283 1947.7334 125.5105 -206832.9337 17991.4845 0.0000 0.0000 34277.4338 -149690.4951 299.3534 -183967.9288 -149593.2128 298.1354 119.1206 150.4247 555700.9967 -17.7493 -18.0495 PRESSURE: 3457800 2.23566 60.3192 74.0498 60.3193 -225.314 4.54539 74.0492 4.54378 114.116 GPRESSURE: 3457800 7.29074 86.2219 86.2555 86.0833 -179.814 9.6703 7.32757 -0.635389 162.801 PRESSAVG: 3457800 10.2094 17.9417 1.76323 17.9416 58.7339 -34.998 1.76327 -34.9981 -25.7899 GPRESSAVG: 3457800 11.4399 16.9918 3.81799 18.0875 59.139 -35.2502 0.884008 -35.7505 -27.3807 TIMING: 3457800 CPU: 10343, 0.00305391/step Wall: 10343, 0.00305391/step, 1.30826 hours remaining, 205.964844 MB of memory in use. ENERGY: 3457800 751.6737 2075.2869 1959.7202 115.5535 -206639.3028 17759.1848 0.0000 0.0000 34290.0501 -149687.8336 299.4635 -183977.8837 -149599.2498 298.5269 -36.3208 -3.2408 556237.9153 14.3845 14.3994 PRESSURE: 3458000 29.4735 82.0606 -16.2127 82.0612 83.2046 216.135 -16.2134 216.138 54.1072 GPRESSURE: 3458000 0.50268 142.169 -46.8684 64.289 158.359 190.393 48.601 239.817 102.955 PRESSAVG: 3458000 60.866 -19.557 22.3903 -19.5571 -21.2813 -14.1869 22.3903 -14.1869 -65.3688 GPRESSAVG: 3458000 59.0019 -17.8807 21.9783 -19.6786 -20.7786 -14.649 22.884 -13.6235 -64.1865 TIMING: 3458000 CPU: 10343.6, 0.00305796/step Wall: 10343.6, 0.00305796/step, 1.30983 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: 3458000 741.6680 2056.1567 1941.0775 107.8640 -206652.0918 17893.2098 0.0000 0.0000 34282.2939 -149629.8219 299.3958 -183912.1158 -149541.9187 298.1700 55.5951 87.2721 555186.4623 -8.5947 -8.6544 PRESSURE: 3458200 215.248 -164.504 141.455 -164.505 -119.435 -11.5902 141.454 -11.5909 13.5586 GPRESSURE: 3458200 213.2 -192.136 147.048 -168.647 -46.2371 -15.4177 201.643 -6.32513 34.8712 PRESSAVG: 3458200 21.9438 37.0123 -23.3049 37.0123 -20.9456 -14.1097 -23.3049 -14.1098 -8.04283 GPRESSAVG: 3458200 22.956 36.8377 -25.3082 36.5044 -20.7444 -14.566 -21.839 -13.1161 -9.08828 TIMING: 3458200 CPU: 10344.2, 0.00304766/step Wall: 10344.2, 0.00304766/step, 1.30524 hours remaining, 205.964844 MB of memory in use. ENERGY: 3458200 736.7900 2108.0608 1969.1038 107.6604 -206643.8214 17991.5714 0.0000 0.0000 34294.7975 -149435.8376 299.5050 -183730.6351 -149336.8784 298.2672 36.4573 67.2779 557378.3380 -2.3482 -2.2922 PRESSURE: 3458400 65.111 24.4637 114.44 24.4643 -52.0009 -72.4464 114.439 -72.4485 -165.701 GPRESSURE: 3458400 119.217 0.0340429 65.6966 70.1322 1.97996 -64.6327 75.4843 7.28388 -159.833 PRESSAVG: 3458400 94.9977 5.0548 66.9851 5.0547 -67.9898 -1.05472 66.985 -1.05469 -18.3061 GPRESSAVG: 3458400 94.7514 5.09033 68.2788 3.74634 -67.1961 -0.396404 63.9847 -1.78978 -18.5227 TIMING: 3458400 CPU: 10344.8, 0.00305013/step Wall: 10344.8, 0.00305013/step, 1.30613 hours remaining, 205.964844 MB of memory in use. ENERGY: 3458400 765.4531 2127.9348 1955.5099 113.6563 -206386.5800 17746.4709 0.0000 0.0000 34078.3978 -149599.1572 297.6151 -183677.5550 -149498.2841 298.8984 -50.8635 -12.8786 555331.9987 2.9006 3.0109 PRESSURE: 3458600 1.45928 156.655 -28.4175 156.655 -27.6978 -46.6577 -28.4163 -46.6575 52.5137 GPRESSURE: 3458600 83.6503 125.685 128.761 278.185 -35.8068 -74.4125 -116.269 -27.7501 79.7328 PRESSAVG: 3458600 30.0848 9.09302 33.1735 9.09304 -32.575 -5.0288 33.1735 -5.02882 29.9658 GPRESSAVG: 3458600 30.3531 10.5809 33.1264 12.1321 -33.6815 -5.35539 34.7231 -4.95869 30.146 TIMING: 3458600 CPU: 10345.4, 0.00304939/step Wall: 10345.4, 0.00304939/step, 1.30565 hours remaining, 205.964844 MB of memory in use. ENERGY: 3458600 711.0232 2046.0141 1965.6442 120.4401 -206467.2983 17738.9225 0.0000 0.0000 34170.2669 -149714.9873 298.4174 -183885.2542 -149620.2446 298.7125 8.7584 42.5255 555370.6064 9.1585 8.9392 PRESSURE: 3458800 22.1111 -211.397 31.5687 -211.397 -60.5514 68.5013 31.5689 68.5026 -66.5128 GPRESSURE: 3458800 28.6266 -205.459 133.229 -246.665 -41.4105 13.7374 20.6802 86.8083 -2.66678 PRESSAVG: 3458800 12.0887 6.6938 1.79604 6.69388 -51.8292 -0.925959 1.79598 -0.925979 8.1949 GPRESSAVG: 3458800 12.1607 5.81013 3.06538 5.71511 -52.2893 0.498749 2.09889 -2.06466 8.55129 TIMING: 3458800 CPU: 10346, 0.0030443/step Wall: 10346, 0.0030443/step, 1.3033 hours remaining, 205.964844 MB of memory in use. ENERGY: 3458800 746.3536 2066.6822 1956.9820 113.6196 -206303.7440 17742.0808 0.0000 0.0000 34122.8957 -149555.1301 298.0037 -183678.0258 -149466.3621 298.9681 -34.9844 -5.1502 557697.7025 -10.5152 -10.5258 PRESSURE: 3459000 -2.87764 17.2826 119.89 17.2838 -44.7239 161.175 119.891 161.178 -203.802 GPRESSURE: 3459000 20.3957 66.398 113.488 -94.8804 -6.56966 177.939 68.9661 80.4307 -168.695 PRESSAVG: 3459000 37.2512 -0.366708 10.259 -0.366734 -5.2273 5.74434 10.259 5.74441 -6.8033 GPRESSAVG: 3459000 36.7595 1.02371 10.9798 -1.50998 -4.42928 4.00729 9.60153 6.17384 -7.07249 TIMING: 3459000 CPU: 10346.6, 0.00308581/step Wall: 10346.6, 0.00308581/step, 1.3209 hours remaining, 205.964844 MB of memory in use. ENERGY: 3459000 735.8644 2132.7198 1966.5856 108.1397 -206138.0695 17663.2248 0.0000 0.0000 34111.8973 -149419.6380 297.9077 -183531.5352 -149325.9512 298.7476 -83.8013 -51.6231 557661.9453 8.4069 8.4192 PRESSURE: 3459200 -183.14 -132.08 -38.552 -132.08 -249.207 13.8497 -38.5521 13.8501 -148.668 GPRESSURE: 3459200 -97.57 -93.0385 -61.0023 -233.33 -232.969 45.3868 8.70177 -6.89755 -160.061 PRESSAVG: 3459200 -1.84574 -51.8732 -11.0749 -51.8731 0.718457 -3.76464 -11.0748 -3.76462 -12.19 GPRESSAVG: 3459200 -2.55739 -53.4232 -11.244 -52.7715 0.916307 -2.08562 -9.51886 -3.66697 -12.0473 TIMING: 3459200 CPU: 10347.2, 0.00306132/step Wall: 10347.2, 0.00306132/step, 1.31025 hours remaining, 205.964844 MB of memory in use. ENERGY: 3459200 721.1466 2125.5242 1956.4701 121.4608 -206152.9951 17715.3543 0.0000 0.0000 34204.3812 -149308.6580 298.7154 -183513.0392 -149216.9715 298.8841 -193.6718 -163.5332 558773.8680 -4.4391 -4.5628 PRESSURE: 3459400 49.1225 51.1735 148.508 51.173 75.9304 -147.635 148.509 -147.634 123.217 GPRESSURE: 3459400 142.498 12.4197 178.959 94.7435 74.5464 -168.768 75.7721 -60.4698 126.472 PRESSAVG: 3459400 48.6036 -44.1385 40.394 -44.1384 -50.3415 -6.49916 40.394 -6.4992 42.3297 GPRESSAVG: 3459400 49.9295 -45.7668 37.7547 -42.7578 -51.8572 -7.30732 39.9419 -5.55654 43.0111 TIMING: 3459400 CPU: 10347.9, 0.00305669/step Wall: 10347.9, 0.00305669/step, 1.3081 hours remaining, 205.964844 MB of memory in use. ENERGY: 3459400 713.3444 2064.6535 1975.5713 110.2468 -206300.7245 17881.2249 0.0000 0.0000 34106.6719 -149449.0116 297.8620 -183555.6836 -149342.4335 299.0677 82.7565 114.5054 557976.1293 13.5306 13.6945 PRESSURE: 3459600 -95.2344 -50.3372 124.211 -50.3363 -68.2231 -106.145 124.211 -106.144 287.253 GPRESSURE: 3459600 10.2627 -8.51272 103.033 -47.0873 -56.4019 -105.555 192.258 -73.0092 269.734 PRESSAVG: 3459600 -23.2062 -22.5058 -29.57 -22.5059 -47.1115 -24.6897 -29.5699 -24.6898 42.5496 GPRESSAVG: 3459600 -24.6314 -21.2241 -28.0622 -23.0308 -44.9949 -24.5896 -28.973 -24.0646 41.8511 TIMING: 3459600 CPU: 10348.5, 0.00305469/step Wall: 10348.5, 0.00305469/step, 1.30707 hours remaining, 205.964844 MB of memory in use. ENERGY: 3459600 771.1948 2136.0953 1963.8139 119.3887 -206160.8359 17813.1277 0.0000 0.0000 34052.0543 -149305.1613 297.3851 -183357.2156 -149213.1195 299.0864 41.2651 74.5315 556245.5777 -9.2561 -9.2584 PRESSURE: 3459800 102.514 140.075 84.748 140.074 -17.7621 -223.288 84.7476 -223.289 -151.066 GPRESSURE: 3459800 129.006 121.837 89.9679 147.163 -11.6809 -186.731 -14.3596 -112.264 -83.7153 PRESSAVG: 3459800 0.612081 -1.93536 53.6845 -1.93546 -44.0106 -81.051 53.6845 -81.051 55.8369 GPRESSAVG: 3459800 1.98682 -3.77006 53.9018 1.83974 -45.6674 -80.3821 52.6623 -81.3621 56.7005 TIMING: 3459800 CPU: 10349.1, 0.00305357/step Wall: 10349.1, 0.00305357/step, 1.30642 hours remaining, 205.964844 MB of memory in use. ENERGY: 3459800 741.4000 2082.4458 1954.5476 114.9472 -206291.4408 17785.9039 0.0000 0.0000 34280.5427 -149331.6536 299.3805 -183612.1962 -149236.3638 298.9649 -22.1048 11.2031 555667.7013 4.1461 4.3400 PRESSURE: 3460000 -16.6839 23.5015 -52.5455 23.5015 232.789 -32.0189 -52.5438 -32.019 140.408 GPRESSURE: 3460000 38.6396 -1.89694 -87.6156 34.3898 270.294 -45.5017 -24.4185 -7.09454 139.764 PRESSAVG: 3460000 28.101 44.93 54.5171 44.9301 -27.8585 -42.6261 54.5171 -42.6261 -7.75755 GPRESSAVG: 3460000 26.848 45.6627 54.9866 41.4819 -27.4281 -43.1928 53.3368 -43.1706 -7.15973 TIMING: 3460000 CPU: 10349.7, 0.00307214/step Wall: 10349.7, 0.00307214/step, 1.31419 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: 3460000 764.7997 2126.6651 1954.0808 107.8382 -206690.1356 17934.6337 0.0000 0.0000 34270.7205 -149531.3976 299.2947 -183802.1181 -149425.5619 298.9122 118.8377 149.5661 554775.2062 -2.5050 -2.5800 PRESSURE: 3460200 -183.205 -53.3579 -5.35528 -53.3574 -35.8362 79.3138 -5.35535 79.3136 -181.389 GPRESSURE: 3460200 -165.985 -12.64 21.4197 14.1316 4.95962 71.0402 17.5362 38.6025 -134.69 PRESSAVG: 3460200 49.0629 -4.13822 -10.2165 -4.13824 15.2676 16.3836 -10.2166 16.3835 -68.5133 GPRESSAVG: 3460200 48.8109 -3.86207 -11.2202 -3.71867 16.1091 16.2264 -9.90794 16.5759 -69.7784 TIMING: 3460200 CPU: 10350.3, 0.00304019/step Wall: 10350.3, 0.00304019/step, 1.30036 hours remaining, 205.964844 MB of memory in use. ENERGY: 3460200 719.2699 2055.5893 1946.5621 110.1031 -206353.9040 17662.0813 0.0000 0.0000 34417.9108 -149442.3874 300.5802 -183860.2982 -149343.4483 299.1249 -133.4765 -98.5718 555526.6485 -1.3943 -1.6195 LDB: ============= START OF LOAD BALANCING ============== 10353.7 LDB: ============== END OF LOAD BALANCING =============== 10353.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10353.7 LDB: ============= START OF LOAD BALANCING ============== 10354 LDB: Largest compute 4820 load 0.027349 is 23.2% of average load 0.118104 LDB: Average compute 0.001717 is 1.5% of average load 0.118104 LDB: TIME 10354 LOAD: AVG 0.118104 MAX 0.220901 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 10354 LOAD: AVG 0.118104 MAX 0.220901 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: TIME 10354 LOAD: AVG 0.118104 MAX 0.220901 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: ============== END OF LOAD BALANCING =============== 10354 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 PRESSURE: 3460400 -248.518 -113.339 -89.5519 -113.339 -211.114 -62.771 -89.5508 -62.7709 -317.159 GPRESSURE: 3460400 -215.176 -112.434 -116.503 -165.568 -228.589 -160.756 -31.98 -79.6612 -234.287 PRESSAVG: 3460400 16.3055 19.0778 32.193 19.0778 -13.4504 2.76428 32.193 2.76442 46.4491 GPRESSAVG: 3460400 16.8254 19.0755 33.0744 18.4533 -13.104 4.769 33.7843 4.25734 45.4915 TIMING: 3460400 CPU: 10350.9, 0.00309141/step Wall: 10350.9, 0.00309141/step, 1.32209 hours remaining, 207.023438 MB of memory in use. ENERGY: 3460400 774.4321 2139.3633 1948.4202 128.3330 -206249.9670 17548.4922 0.0000 0.0000 34328.9491 -149381.9772 299.8033 -183710.9262 -149284.9713 299.6678 -258.9305 -226.0174 557402.9337 16.4347 16.4043 PRESSURE: 3460600 -14.5665 -19.2031 72.0841 -19.2039 -258.706 134.891 72.0847 134.889 -214.858 GPRESSURE: 3460600 -18.7254 -58.3223 12.6997 95.496 -238.989 58.5434 55.6818 187.365 -123.753 PRESSAVG: 3460600 -45.6226 -37.8265 8.54336 -37.8265 -16.312 -49.4476 8.5433 -49.4475 19.3118 GPRESSAVG: 3460600 -45.5108 -36.3597 8.78208 -38.1193 -18.0064 -50.7382 9.01073 -50.9114 21.1977 TIMING: 3460600 CPU: 10351.5, 0.00306456/step Wall: 10351.5, 0.00306456/step, 1.31044 hours remaining, 207.222656 MB of memory in use. ENERGY: 3460600 750.1271 2035.0731 1935.4712 124.3740 -206240.4723 17662.4785 0.0000 0.0000 34233.0177 -149499.9307 298.9655 -183732.9484 -149398.2058 298.7390 -162.7102 -127.1561 557958.3151 -14.2076 -14.1065 PRESSURE: 3460800 71.7382 28.6924 -83.9879 28.6918 90.5412 -77.7709 -83.9895 -77.7712 4.10501 GPRESSURE: 3460800 75.0085 103.367 -113.202 32.9032 170.221 -86.6649 -54.4688 -49.7383 23.6457 PRESSAVG: 3460800 25.179 25.0481 70.3469 25.0481 32.7103 -15.9772 70.3468 -15.9772 -38.119 GPRESSAVG: 3460800 25.9899 24.0506 69.222 24.6276 33.1605 -17.7939 69.6979 -14.7903 -39.3008 TIMING: 3460800 CPU: 10352.1, 0.00309436/step Wall: 10352.1, 0.00309436/step, 1.32301 hours remaining, 207.222656 MB of memory in use. ENERGY: 3460800 738.2364 2047.8384 1935.3399 111.8464 -206424.2645 17893.2728 0.0000 0.0000 34256.1176 -149441.6130 299.1672 -183697.7306 -149344.1007 298.2075 55.4615 89.6249 555866.0884 6.5901 6.6165 PRESSURE: 3461000 -84.0715 11.3909 200.151 11.3919 -55.5811 -38.9409 200.15 -38.9402 3.16265 GPRESSURE: 3461000 -9.63161 18.0848 136.53 71.7749 -119.199 70.5815 207.985 -52.0814 101.761 PRESSAVG: 3461000 -12.2462 20.1127 8.52229 20.1127 -38.6098 24.0988 8.52226 24.0987 75.6006 GPRESSAVG: 3461000 -12.758 20.5326 9.01945 21.2611 -39.1586 28.8048 9.12587 24.0114 77.0119 TIMING: 3461000 CPU: 10352.8, 0.00308228/step Wall: 10352.8, 0.00308228/step, 1.31767 hours remaining, 207.222656 MB of memory in use. ENERGY: 3461000 713.9533 2089.6936 1952.2429 112.0692 -205987.4642 17544.7339 0.0000 0.0000 34170.9070 -149403.8642 298.4230 -183574.7713 -149306.2125 298.8610 -45.4967 -9.0230 556793.2503 8.2482 8.3651 PRESSURE: 3461200 -227.627 46.7962 -3.63919 46.7959 -235.786 40.3232 -3.63846 40.3235 -111.31 GPRESSURE: 3461200 -181.755 69.0952 -24.9747 36.4944 -192.804 89.4632 58.4276 32.0288 -105.001 PRESSAVG: 3461200 -44.3956 -2.3794 -12.3079 -2.37949 3.04869 -3.5148 -12.3079 -3.51467 5.46313 GPRESSAVG: 3461200 -43.0316 -3.28132 -12.7804 -2.98028 3.91458 -7.00798 -12.4979 -2.12442 3.01647 TIMING: 3461200 CPU: 10353.4, 0.00307099/step Wall: 10353.4, 0.00307099/step, 1.31268 hours remaining, 207.222656 MB of memory in use. ENERGY: 3461200 760.0592 2074.0591 1948.5131 105.8299 -205902.5982 17467.7715 0.0000 0.0000 34186.5577 -149359.8078 298.5597 -183546.3654 -149269.1097 299.3016 -191.5742 -159.8533 556859.5447 -11.9613 -12.0335 PRESSURE: 3461400 -127.548 -14.8886 21.0179 -14.8889 104.414 -246.314 21.0185 -246.313 -16.6585 GPRESSURE: 3461400 -67.0863 140.396 57.9713 -32.0523 67.0345 -305.293 -88.9559 -174.215 52.1774 PRESSAVG: 3461400 22.9324 6.30015 -29.4368 6.30008 -58.5171 -12.9949 -29.4367 -12.9948 10.0646 GPRESSAVG: 3461400 21.9309 7.18513 -28.7432 8.2626 -59.2886 -12.6565 -29.8814 -14.1405 11.5283 TIMING: 3461400 CPU: 10354, 0.00305089/step Wall: 10354, 0.00305089/step, 1.30392 hours remaining, 207.222656 MB of memory in use. ENERGY: 3461400 763.4341 2060.5393 1948.4229 115.2422 -206471.7231 17862.1426 0.0000 0.0000 34322.9521 -149398.9898 299.7509 -183721.9419 -149307.3483 299.0378 -13.2643 17.3752 555841.8241 -8.5067 -8.6098 PRESSURE: 3461600 260.269 110.985 121.595 110.984 -126.527 33.3106 121.594 33.3102 197.075 GPRESSURE: 3461600 277.927 140.724 150.154 124.782 -78.9284 58.9832 147.265 34.0576 231.483 PRESSAVG: 3461600 -10.7275 71.2606 24.6402 71.2606 -9.74511 25.2541 24.6401 25.254 14.6092 GPRESSAVG: 3461600 -11.5345 72.052 22.7735 69.2151 -8.41085 23.2897 24.9838 26.6382 14.2986 TIMING: 3461600 CPU: 10354.6, 0.00305661/step Wall: 10354.6, 0.00305661/step, 1.30619 hours remaining, 207.222656 MB of memory in use. ENERGY: 3461600 710.7325 2080.2811 1926.4059 124.4730 -206527.8023 18026.0322 0.0000 0.0000 34103.2258 -149556.6518 297.8320 -183659.8776 -149468.3063 298.3243 110.2725 143.4938 556674.1720 -1.9545 -1.8822 PRESSURE: 3461800 121.505 -57.7622 -49.9697 -57.7614 151.549 219.581 -49.9692 219.582 67.3948 GPRESSURE: 3461800 180.044 12.1085 1.32784 -157.134 174.147 182.096 -46.4067 171.345 86.1326 PRESSAVG: 3461800 25.3343 -2.27639 0.695671 -2.27635 -28.2852 50.5648 0.695655 50.5647 -8.43309 GPRESSAVG: 3461800 26.155 -3.18422 1.43438 -1.03911 -30.2601 53.3592 0.422293 47.724 -7.11635 TIMING: 3461800 CPU: 10355.2, 0.00306072/step Wall: 10355.2, 0.00306072/step, 1.30778 hours remaining, 207.222656 MB of memory in use. ENERGY: 3461800 739.3374 2050.2208 1954.9217 120.3067 -206582.6357 18093.8328 0.0000 0.0000 34041.5516 -149582.4646 297.2933 -183624.0163 -149486.5233 297.8463 113.4830 146.7744 557009.3592 -3.7947 -3.7405 PRESSURE: 3462000 78.2767 -184.271 -108.406 -184.271 76.2111 34.0328 -108.406 34.0336 -11.903 GPRESSURE: 3462000 40.0697 -129.351 -182.661 -138.669 170.281 53.6134 -122.566 -10.2366 26.6027 PRESSAVG: 3462000 57.8692 -23.4912 -79.0623 -23.4913 24.6076 18.6159 -79.0623 18.6158 -23.918 GPRESSAVG: 3462000 56.775 -23.0481 -78.7847 -23.8032 26.064 18.1378 -76.6857 17.9081 -24.7068 TIMING: 3462000 CPU: 10355.8, 0.00307256/step Wall: 10355.8, 0.00307256/step, 1.31267 hours remaining, 207.222656 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: 3462000 721.5489 2089.8922 1960.5432 116.0234 -206603.4256 18063.5895 0.0000 0.0000 34139.2447 -149512.5837 298.1465 -183651.8284 -149423.4956 298.3759 47.5282 78.9844 557723.6725 19.5196 19.3774 PRESSURE: 3462200 6.511 -111.137 1.19598 -111.137 132.514 -32.0215 1.19611 -32.0202 -137.099 GPRESSURE: 3462200 56.6116 -102.01 -83.2211 -96.067 132.72 -72.2494 -5.4689 -41.1705 -78.5056 PRESSAVG: 3462200 24.7747 -62.7253 -11.8489 -62.7254 30.133 -13.2289 -11.849 -13.229 -59.782 GPRESSAVG: 3462200 25.9052 -62.8844 -11.8382 -62.7071 29.931 -14.9749 -14.4552 -10.5485 -60.1141 TIMING: 3462200 CPU: 10356.4, 0.00307673/step Wall: 10356.4, 0.00307673/step, 1.31428 hours remaining, 207.222656 MB of memory in use. ENERGY: 3462200 772.0481 2055.4919 1977.4588 117.7299 -206628.5505 17977.8866 0.0000 0.0000 34205.7803 -149522.1550 298.7276 -183727.9352 -149420.8996 298.1748 0.6418 36.9419 558936.4727 -1.6247 -1.4259 PRESSURE: 3462400 -192.241 -64.8897 -13.6438 -64.8887 172.045 1.85612 -13.6438 1.85722 24.5578 GPRESSURE: 3462400 -125.821 -31.7331 20.595 -33.4323 223.381 -119.742 -48.4398 34.9772 15.9669 PRESSAVG: 3462400 58.9934 25.5037 13.4913 25.5037 -17.8361 19.6345 13.4914 19.6346 -58.7125 GPRESSAVG: 3462400 57.7444 24.5103 11.6943 25.9112 -18.1638 21.7521 15.2897 16.5806 -57.7817 TIMING: 3462400 CPU: 10357.1, 0.00306927/step Wall: 10357.1, 0.00306927/step, 1.31092 hours remaining, 207.222656 MB of memory in use. ENERGY: 3462400 780.9705 2044.2382 1973.2271 107.5200 -206809.0508 18096.5349 0.0000 0.0000 34169.8541 -149636.7060 298.4138 -183806.5601 -149546.3135 297.6655 1.4538 37.8424 557703.3320 -5.8517 -6.0671 PRESSURE: 3462600 144.003 13.7444 125.049 13.7446 -304.327 72.5607 125.049 72.5614 -115.708 GPRESSURE: 3462600 159.111 -26.2862 72.4431 63.2744 -276.807 76.6561 130.129 81.8985 -54.3595 PRESSAVG: 3462600 14.9461 21.979 9.33485 21.979 10.5242 34.3199 9.33485 34.3199 -2.95159 GPRESSAVG: 3462600 16.6498 21.1985 9.85602 20.6543 10.1579 32.8997 9.26773 37.491 -4.35937 TIMING: 3462600 CPU: 10357.7, 0.00305662/step Wall: 10357.7, 0.00305662/step, 1.30535 hours remaining, 207.222656 MB of memory in use. ENERGY: 3462600 724.7707 2080.8617 1961.9101 105.2365 -206224.9503 17782.0104 0.0000 0.0000 34041.9408 -149528.2202 297.2967 -183570.1610 -149433.1496 297.8992 -92.0105 -57.3519 558026.3242 7.5063 7.4828 PRESSURE: 3462800 38.8669 -88.0407 78.3908 -88.0403 -284.605 -81.5168 78.3894 -81.518 1.72806 GPRESSURE: 3462800 58.8395 -57.1204 154.913 -118.803 -236.354 -83.6526 73.7646 -67.2608 28.6113 PRESSAVG: 3462800 52.275 -7.5651 -23.8147 -7.56522 -7.56617 -10.5031 -23.8147 -10.503 -7.99518 GPRESSAVG: 3462800 50.5267 -7.81608 -22.1668 -4.98259 -6.1814 -10.0178 -24.0126 -11.6033 -7.85676 TIMING: 3462800 CPU: 10358.3, 0.0030423/step Wall: 10358.3, 0.0030423/step, 1.29906 hours remaining, 207.222656 MB of memory in use. ENERGY: 3462800 761.9088 2106.4753 1949.8214 114.5565 -206485.6863 17814.1396 0.0000 0.0000 34290.1445 -149448.6401 299.4644 -183738.7846 -149355.6583 298.6997 -81.3366 -49.6346 558115.1048 12.2379 12.1628 PRESSURE: 3463000 -180.481 -18.4722 110.249 -18.471 -272.577 74.2002 110.25 74.1997 -295.048 GPRESSURE: 3463000 -188.448 -4.72461 60.5584 -17.3401 -201.015 43.9599 105.134 71.0687 -251.982 PRESSAVG: 3463000 -3.66845 28.6539 0.796335 28.6539 30.1557 -33.3343 0.796435 -33.3342 -28.5806 GPRESSAVG: 3463000 -1.73769 30.4175 1.04727 25.8863 27.3625 -34.4059 -1.76642 -33.5973 -28.071 TIMING: 3463000 CPU: 10358.9, 0.0030417/step Wall: 10358.9, 0.0030417/step, 1.29864 hours remaining, 207.222656 MB of memory in use. ENERGY: 3463000 752.1472 2107.1587 1951.8649 111.2164 -205873.4475 17470.8838 0.0000 0.0000 34209.8052 -149270.3712 298.7627 -183480.1764 -149174.1226 298.4919 -249.3687 -213.8149 557919.5589 -0.6978 -0.8154 PRESSURE: 3463200 -172.688 60.7466 70.5965 60.7467 -180.012 166.531 70.5972 166.531 73.0893 GPRESSURE: 3463200 -123.543 2.88934 95.5182 94.5317 -85.6593 61.7638 25.8847 209.966 15.7954 PRESSAVG: 3463200 28.6972 24.0981 27.4108 24.098 49.4414 -22.3234 27.4109 -22.3233 -44.3784 GPRESSAVG: 3463200 27.4689 24.327 25.3597 24.4039 50.6678 -21.3297 30.3161 -22.1884 -45.0955 TIMING: 3463200 CPU: 10359.5, 0.00305193/step Wall: 10359.5, 0.00305193/step, 1.30283 hours remaining, 207.222656 MB of memory in use. ENERGY: 3463200 781.5351 2037.8076 1967.6456 121.1555 -206047.8119 17618.5678 0.0000 0.0000 34110.4583 -149410.6419 297.8951 -183521.1002 -149313.9292 298.5280 -93.2034 -64.4689 557961.0382 11.2534 11.0137 PRESSURE: 3463400 -154.4 33.9126 201.378 33.912 11.7512 -117.142 201.378 -117.143 -41.92 GPRESSURE: 3463400 -164.773 101.868 201.607 59.5049 60.2273 -65.3428 264.384 -177.484 9.03684 PRESSAVG: 3463400 -26.7252 -14.6512 67.5309 -14.6512 41.5565 19.8478 67.5309 19.8479 -25.3923 GPRESSAVG: 3463400 -26.3334 -11.0084 71.3206 -14.4545 40.9757 21.0067 64.3612 18.9839 -26.0999 TIMING: 3463400 CPU: 10360.1, 0.00302442/step Wall: 10360.1, 0.00302442/step, 1.29092 hours remaining, 207.222656 MB of memory in use. ENERGY: 3463400 761.7900 2088.7316 1955.2008 119.1440 -206586.7622 17920.1193 0.0000 0.0000 34309.9491 -149431.8274 299.6373 -183741.7765 -149341.1551 298.6862 -61.5229 -31.8364 558042.9567 -3.5203 -3.8192 PRESSURE: 3463600 -75.0654 20.0271 -62.4776 20.0286 -101.394 73.8752 -62.4767 73.8771 35.7012 GPRESSURE: 3463600 -39.3235 99.0938 -96.1269 28.8423 -83.8936 79.595 -103.214 46.2674 94.0985 PRESSAVG: 3463600 -10.8412 19.6295 64.3023 19.6295 16.7526 -13.8739 64.3023 -13.8738 1.56076 GPRESSAVG: 3463600 -11.3172 15.6437 62.5489 18.9015 16.8768 -13.667 64.103 -14.7949 1.84119 TIMING: 3463600 CPU: 10360.7, 0.00303953/step Wall: 10360.7, 0.00303953/step, 1.2972 hours remaining, 207.222656 MB of memory in use. ENERGY: 3463600 759.1118 2061.0490 1954.4340 101.4789 -206194.2160 17784.9025 0.0000 0.0000 34179.4016 -149353.8382 298.4972 -183533.2398 -149252.0583 299.0803 -46.9194 -9.7062 558215.2163 2.4907 2.4669 PRESSURE: 3463800 110.965 -127.991 53.3293 -127.99 -178.973 -43.9868 53.329 -43.9869 -303.116 GPRESSURE: 3463800 187.711 -119.373 -20.0267 -142.631 -220.928 -16.9328 -0.863665 -76.0892 -245.871 PRESSAVG: 3463800 19.7005 -18.1558 22.0799 -18.1558 -77.5024 -15.2017 22.08 -15.2016 31.3203 GPRESSAVG: 3463800 21.1833 -16.8696 21.2085 -18.3189 -78.0691 -17.6941 23.4374 -12.4417 30.7373 TIMING: 3463800 CPU: 10361.3, 0.00305467/step Wall: 10361.3, 0.00305467/step, 1.30349 hours remaining, 207.222656 MB of memory in use. ENERGY: 3463800 771.1778 2083.1316 1958.6363 110.1263 -206230.8600 17721.6210 0.0000 0.0000 34257.8095 -149328.3574 299.1820 -183586.1669 -149235.7974 298.5848 -123.7083 -93.0292 557351.3287 -8.8272 -8.7161 PRESSURE: 3464000 232.054 -126.309 -75.1897 -126.31 342.073 59.9699 -75.189 59.9706 -49.3975 GPRESSURE: 3464000 251.476 -142.055 -73.8256 13.008 350.56 45.1289 -128.942 3.83717 15.6002 PRESSAVG: 3464000 52.6362 -34.2482 -45.801 -34.2483 -25.9385 -17.0939 -45.8009 -17.0939 -35.8147 GPRESSAVG: 3464000 50.9563 -33.7652 -43.933 -33.2329 -25.7074 -14.4466 -46.2592 -19.3099 -34.7974 TIMING: 3464000 CPU: 10361.9, 0.00305479/step Wall: 10361.9, 0.00305479/step, 1.30338 hours remaining, 207.222656 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: 3464000 741.5250 2078.6149 1957.9802 116.3190 -206843.2134 18252.6572 0.0000 0.0000 34412.6046 -149283.5126 300.5338 -183696.1171 -149174.6671 299.2262 174.9099 205.8786 557260.1490 -3.0390 -3.1828 PRESSURE: 3464200 73.2088 -102.907 -64.3866 -102.906 -85.0548 97.7924 -64.3865 97.7929 37.6479 GPRESSURE: 3464200 127.99 -59.5675 -75.7771 -108.461 -22.0612 87.8124 4.31016 11.93 3.80566 PRESSAVG: 3464200 -36.2001 30.1761 5.55843 30.1761 13.6038 37.5012 5.55851 37.5012 5.50753 GPRESSAVG: 3464200 -36.2207 30.0413 6.64312 30.3113 13.8781 35.912 4.98828 39.1725 4.81847 TIMING: 3464200 CPU: 10362.5, 0.00305669/step Wall: 10362.5, 0.00305669/step, 1.30402 hours remaining, 207.222656 MB of memory in use. ENERGY: 3464200 739.9480 2144.0722 1950.2412 115.8774 -206455.2017 18006.4676 0.0000 0.0000 34157.5258 -149341.0697 298.3062 -183498.5954 -149248.5644 299.8094 8.6006 36.5780 558229.0321 -5.6962 -5.8414 LDB: ============= START OF LOAD BALANCING ============== 10366 LDB: ============== END OF LOAD BALANCING =============== 10366 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10366 LDB: ============= START OF LOAD BALANCING ============== 10366.3 LDB: Largest compute 4820 load 0.027078 is 22.9% of average load 0.118113 LDB: Average compute 0.001717 is 1.5% of average load 0.118113 LDB: TIME 10366.3 LOAD: AVG 0.118113 MAX 0.219424 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.051 MB LDB: TIME 10366.3 LOAD: AVG 0.118113 MAX 0.219424 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.258 MB LDB: TIME 10366.3 LOAD: AVG 0.118113 MAX 0.219424 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10366.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10366.3 PRESSURE: 3464400 -32.7583 -36.7063 72.9686 -36.7065 -187.157 9.87753 72.9702 9.87634 26.5554 GPRESSURE: 3464400 -24.4472 -41.5266 -6.98292 -8.21473 -172.834 163.164 73.0347 -4.26145 93.1761 PRESSAVG: 3464400 -42.2228 0.395668 -31.7414 0.39569 -20.8393 52.1338 -31.7415 52.1338 81.0898 GPRESSAVG: 3464400 -42.4276 0.546778 -33.9963 -0.0434346 -22.2403 53.8811 -29.6703 50.0986 82.6552 TIMING: 3464400 CPU: 10363.2, 0.0030618/step Wall: 10363.2, 0.0030618/step, 1.30603 hours remaining, 205.027344 MB of memory in use. ENERGY: 3464400 775.9619 2051.2556 1938.2532 113.1083 -206377.0681 17962.8905 0.0000 0.0000 34171.5190 -149364.0797 298.4284 -183535.5987 -149264.9279 299.4327 -64.4532 -34.7017 559109.9787 6.0092 5.9958 PRESSURE: 3464600 -215.234 -104.144 138.586 -104.145 85.4291 -23.4176 138.585 -23.4176 8.11038 GPRESSURE: 3464600 -144.056 -79.5698 151.912 -98.3549 121.532 -101.734 143.73 43.9171 -14.7811 PRESSAVG: 3464600 17.0091 6.06189 0.277946 6.06189 -12.3544 -22.6573 0.277965 -22.6572 2.37204 GPRESSAVG: 3464600 17.3156 7.76582 1.09537 5.45578 -11.9198 -23.9004 -0.453122 -21.2075 1.49649 TIMING: 3464600 CPU: 10363.8, 0.00303497/step Wall: 10363.8, 0.00303497/step, 1.29441 hours remaining, 205.027344 MB of memory in use. ENERGY: 3464600 768.2751 2067.2611 1995.6438 117.6530 -206036.7219 17609.4067 0.0000 0.0000 34182.8918 -149295.5904 298.5277 -183478.4822 -149204.6253 298.9289 -40.5647 -12.4352 557654.9175 2.3422 2.2974 PRESSURE: 3464800 -350.173 -33.6938 -102.866 -33.6943 -146.725 39.5464 -102.867 39.5457 -71.4649 GPRESSURE: 3464800 -253.295 -58.3658 -90.2112 -27.3976 -102.478 119.347 -116.344 68.9822 -126.921 PRESSAVG: 3464800 19.1023 29.1847 46.1176 29.1846 -83.1365 -30.0458 46.1176 -30.0459 51.0136 GPRESSAVG: 3464800 18.8374 28.1649 46.8278 30.2685 -83.0565 -29.0078 44.8995 -29.1987 51.0217 TIMING: 3464800 CPU: 10364.4, 0.00304441/step Wall: 10364.4, 0.00304441/step, 1.29827 hours remaining, 205.027344 MB of memory in use. ENERGY: 3464800 742.2935 2080.4951 1976.9583 122.9492 -206136.2498 17471.2431 0.0000 0.0000 34253.9711 -149488.3395 299.1484 -183742.3107 -149392.7850 298.7670 -189.4545 -160.8978 556698.7124 -4.3402 -4.3991 PRESSURE: 3465000 3.1085 -121.157 76.2175 -121.156 -12.474 101.213 76.2169 101.213 125.706 GPRESSURE: 3465000 -8.86832 -154.348 149.805 -151.138 13.889 72.0891 104.606 89.1252 211.84 PRESSAVG: 3465000 -28.8718 -3.53872 10.5556 -3.53876 -13.6009 1.05024 10.5557 1.05015 -14.6864 GPRESSAVG: 3465000 -28.8296 -5.40406 10.7454 -2.24404 -13.8441 -3.10456 12.3409 2.03097 -14.5202 TIMING: 3465000 CPU: 10365, 0.0030946/step Wall: 10365, 0.0030946/step, 1.3195 hours remaining, 205.027344 MB of memory in use. ENERGY: 3465000 763.1742 2106.2354 1942.1976 97.8236 -206612.1095 17803.8542 0.0000 0.0000 34028.8217 -149870.0028 297.1822 -183898.8246 -149776.3565 298.0663 38.7803 72.2869 556435.8580 -19.0530 -19.0646 PRESSURE: 3465200 -37.5376 39.2943 175.251 39.295 64.2024 -128.994 175.252 -128.995 136.791 GPRESSURE: 3465200 50.5958 41.6272 111.354 53.5656 34.9362 -46.326 151.337 -141.42 178.214 PRESSAVG: 3465200 31.6967 10.8706 23.4301 10.8707 -16.5181 -9.6934 23.4301 -9.69339 37.665 GPRESSAVG: 3465200 32.822 13.0088 23.365 9.13108 -18.0401 -5.68506 23.7335 -11.67 37.8065 TIMING: 3465200 CPU: 10365.6, 0.00307599/step Wall: 10365.6, 0.00307599/step, 1.3114 hours remaining, 205.027344 MB of memory in use. ENERGY: 3465200 727.7473 2171.2928 1910.7989 122.4011 -206231.7813 17771.8985 0.0000 0.0000 33891.8512 -149635.7915 295.9860 -183527.6427 -149538.1694 297.9228 54.4854 87.9153 557880.3590 17.6145 17.5295 PRESSURE: 3465400 59.8865 93.776 -17.684 93.7762 -96.9811 -32.9485 -17.6829 -32.949 28.5232 GPRESSURE: 3465400 61.0757 117.549 28.5893 105.908 -68.2549 67.399 -94.8017 -116.899 95.9514 PRESSAVG: 3465400 -57.2369 27.0958 85.6895 27.0958 -19.9749 -31.117 85.6895 -31.117 19.4072 GPRESSAVG: 3465400 -59.8548 26.5072 84.7508 26.9707 -18.534 -33.2871 85.6899 -28.9789 20.3881 TIMING: 3465400 CPU: 10366.2, 0.00303182/step Wall: 10366.2, 0.00303182/step, 1.2924 hours remaining, 205.027344 MB of memory in use. ENERGY: 3465400 765.4320 2064.7131 1967.6016 120.3408 -206582.0022 18012.7754 0.0000 0.0000 34227.9770 -149423.1624 298.9214 -183651.1393 -149329.9703 297.8542 -2.8571 29.5907 558476.2690 -19.2682 -19.3336 PRESSURE: 3465600 91.479 128.253 -73.9803 128.253 -39.7878 35.8157 -73.98 35.8156 -81.3628 GPRESSURE: 3465600 175.384 122.653 21.5867 123.915 -42.9398 10.6885 -64.0692 40.0994 -57.3464 PRESSAVG: 3465600 20.7567 -27.0178 2.45669 -27.0178 30.8502 -50.4149 2.4567 -50.4148 1.09416 GPRESSAVG: 3465600 21.9043 -27.5424 1.00431 -25.8831 31.5849 -50.1947 2.46037 -52.0407 -0.393934 TIMING: 3465600 CPU: 10366.8, 0.0030405/step Wall: 10366.8, 0.0030405/step, 1.29593 hours remaining, 205.230469 MB of memory in use. ENERGY: 3465600 720.2460 2165.4236 1936.7836 114.1356 -206205.9306 17728.0461 0.0000 0.0000 34072.5726 -149468.7230 297.5643 -183541.2957 -149365.3756 298.1683 -9.8905 25.0327 558202.3843 17.5670 17.6984 PRESSURE: 3465800 7.58468 -84.9808 -140.923 -84.9803 -120.775 11.271 -140.922 11.27 -96.9389 GPRESSURE: 3465800 -0.594612 -140.954 -176.417 -168.238 -51.5058 -52.5252 -47.9834 25.2669 -73.5723 PRESSAVG: 3465800 3.05422 29.6889 -20.4716 29.6888 2.73455 -35.2301 -20.4716 -35.2302 -23.8599 GPRESSAVG: 3465800 3.22726 29.6525 -19.4287 28.3793 3.45779 -34.3894 -20.0505 -35.6891 -24.6246 TIMING: 3465800 CPU: 10367.4, 0.00303915/step Wall: 10367.4, 0.00303915/step, 1.29518 hours remaining, 205.230469 MB of memory in use. ENERGY: 3465800 760.0596 2102.2108 1937.3250 122.5397 -206159.8492 17810.4826 0.0000 0.0000 34050.3142 -149376.9173 297.3699 -183427.2315 -149284.2103 297.7792 -70.0430 -41.8909 557303.3080 -6.0237 -5.9799 PRESSURE: 3466000 95.3155 146.476 -53.6795 146.476 -8.66757 -129.728 -53.6788 -129.728 86.3969 GPRESSURE: 3466000 153.748 65.5954 -56.6386 97.4961 1.37237 -126.896 4.1896 -174.152 116.816 PRESSAVG: 3466000 -55.4845 -12.678 8.08338 -12.678 1.57289 -38.4718 8.08332 -38.4719 66.6226 GPRESSAVG: 3466000 -54.7238 -12.766 8.47089 -12.2345 0.557394 -39.6611 7.4094 -37.6694 66.9769 TIMING: 3466000 CPU: 10368, 0.00307349/step Wall: 10368, 0.00307349/step, 1.30965 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: 3466000 756.6171 2097.2123 1959.0384 111.1958 -206553.6143 18029.0031 0.0000 0.0000 34313.2769 -149287.2707 299.6664 -183600.5476 -149189.5904 298.5719 57.6816 90.6457 557764.5483 4.2370 4.2702 PRESSURE: 3466200 -162.286 102.644 -118.8 102.644 -169.008 -219.113 -118.8 -219.113 -203.133 GPRESSURE: 3466200 -91.2784 104.298 -82.493 130.063 -144.255 -227.819 -102.812 -174.08 -196.775 PRESSAVG: 3466200 -85.4599 27.1336 -34.4273 27.1336 -25.7296 -42.9622 -34.4273 -42.9622 117.86 GPRESSAVG: 3466200 -85.9244 27.2019 -32.0327 28.2197 -26.7718 -40.4247 -35.4403 -43.5707 118.736 TIMING: 3466200 CPU: 10368.6, 0.00303812/step Wall: 10368.6, 0.00303812/step, 1.29441 hours remaining, 205.230469 MB of memory in use. ENERGY: 3466200 735.8912 2131.9599 1957.1743 107.7301 -205774.7100 17480.3230 0.0000 0.0000 34062.0236 -149299.6080 297.4721 -183361.6316 -149206.5991 298.9720 -178.1421 -144.1027 558569.5154 2.2233 2.0132 PRESSURE: 3466400 -211.776 -142.774 64.2353 -142.774 -34.8883 7.4939 64.2354 7.49526 -111.087 GPRESSURE: 3466400 -179.45 -148.881 -39.7689 -148.125 -14.5467 1.79116 85.0908 -0.863665 -73.2935 PRESSAVG: 3466400 4.31468 11.8402 5.06071 11.8402 22.6394 -19.4744 5.06073 -19.4744 -24.1987 GPRESSAVG: 3466400 3.84705 11.8677 3.76495 10.9476 22.8907 -21.1502 5.39038 -18.9596 -23.8659 TIMING: 3466400 CPU: 10369.2, 0.00301474/step Wall: 10369.2, 0.00301474/step, 1.28428 hours remaining, 205.230469 MB of memory in use. ENERGY: 3466400 738.6456 2144.3049 1925.2603 112.0511 -205753.9664 17456.8040 0.0000 0.0000 34157.5258 -149219.3748 298.3062 -183376.9007 -149121.8899 299.8508 -119.2503 -89.0967 557187.4578 0.9185 0.9573 PRESSURE: 3466600 185.826 4.84574 117.086 4.84614 94.8468 18.072 117.086 18.0731 146.185 GPRESSURE: 3466600 206.685 -42.0636 52.4063 -27.0307 151.275 38.7032 167.186 -84.2082 161.867 PRESSAVG: 3466600 27.4013 -2.40571 -21.1853 -2.40579 42.2491 -38.6363 -21.1853 -38.6363 -28.5719 GPRESSAVG: 3466600 27.0643 -2.02711 -22.6787 -1.33216 42.7284 -38.6512 -21.6191 -40.2325 -28.5798 TIMING: 3466600 CPU: 10369.9, 0.00302522/step Wall: 10369.9, 0.00302522/step, 1.28857 hours remaining, 205.230469 MB of memory in use. ENERGY: 3466600 770.1075 2138.1177 1956.2876 111.0993 -206524.4390 18136.3038 0.0000 0.0000 34184.3191 -149228.2039 298.5402 -183412.5230 -149138.8516 299.4881 142.2860 173.2758 557173.4229 13.6929 13.7376 PRESSURE: 3466800 -326.963 -40.7168 -39.2227 -40.7166 -411.361 39.5132 -39.222 39.5111 -303.701 GPRESSURE: 3466800 -234.374 50.9572 24.53 -44.9707 -370.255 8.43885 -45.9246 43.5035 -348.558 PRESSAVG: 3466800 52.5353 2.70043 -39.2657 2.7003 23.0663 -51.133 -39.2658 -51.133 -53.7541 GPRESSAVG: 3466800 52.9446 3.38491 -38.0871 2.3439 23.0622 -52.2081 -36.7808 -50.0712 -54.0507 TIMING: 3466800 CPU: 10370.5, 0.00306671/step Wall: 10370.5, 0.00306671/step, 1.30608 hours remaining, 205.230469 MB of memory in use. ENERGY: 3466800 738.5206 2157.3408 1926.7843 124.7957 -205686.1000 17390.6140 0.0000 0.0000 34116.9752 -149231.0694 297.9520 -183348.0447 -149139.5828 298.8407 -347.3419 -317.7289 558705.6409 7.2825 7.3187 PRESSURE: 3467000 26.8176 -55.3106 -64.2856 -55.3112 150.061 -89.0391 -64.2865 -89.0395 78.9948 GPRESSURE: 3467000 79.2151 -47.9007 -28.8046 -128.724 211.116 -3.55543 -34.8731 -98.0763 62.2064 PRESSAVG: 3467000 58.6772 -12.9757 -29.5159 -12.9757 -5.15799 -37.949 -29.5159 -37.9491 9.74153 GPRESSAVG: 3467000 59.893 -14.8115 -29.8437 -12.4686 -5.5865 -38.6014 -32.1883 -36.4257 9.31525 TIMING: 3467000 CPU: 10371.1, 0.00306026/step Wall: 10371.1, 0.00306026/step, 1.30316 hours remaining, 205.230469 MB of memory in use. ENERGY: 3467000 732.2570 2137.5100 1930.1272 116.1983 -206240.4588 17803.9586 0.0000 0.0000 34177.4878 -149342.9199 298.4805 -183520.4077 -149248.7480 299.1455 85.2913 117.5124 556634.9286 21.0869 21.2072 PRESSURE: 3467200 -102.14 96.8558 -42.1817 96.8572 118.971 128.114 -42.1811 128.114 225.621 GPRESSURE: 3467200 -60.5393 73.0109 -39.2302 103.458 161.02 47.3055 -86.1516 119.683 246.765 PRESSAVG: 3467200 31.353 36.7934 -44.0119 36.7934 -23.0258 -25.6098 -44.012 -25.6096 -33.008 GPRESSAVG: 3467200 32.0178 38.5108 -43.1769 35.3805 -22.9964 -23.2603 -43.0918 -26.2296 -33.5712 TIMING: 3467200 CPU: 10371.7, 0.00304949/step Wall: 10371.7, 0.00304949/step, 1.2984 hours remaining, 205.230469 MB of memory in use. ENERGY: 3467200 706.9575 2065.8030 1947.8040 124.9702 -206357.6427 17877.5924 0.0000 0.0000 34030.0762 -149604.4394 297.1931 -183634.5155 -149504.2027 298.0660 80.8173 115.7483 555187.1065 -8.2269 -8.1833 PRESSURE: 3467400 55.9938 -69.3321 45.9911 -69.3324 165.906 8.32538 45.9918 8.32632 17.6901 GPRESSURE: 3467400 115.467 -52.4201 -3.0048 -86.4346 155.219 -66.4584 26.3835 35.3693 54.6022 PRESSAVG: 3467400 -31.5944 -1.06493 -3.54338 -1.06489 -8.82095 -9.58062 -3.54342 -9.5806 15.7022 GPRESSAVG: 3467400 -32.6746 -0.282829 -4.79055 -0.312996 -9.61057 -10.7206 -1.40674 -9.40157 17.2655 TIMING: 3467400 CPU: 10372.3, 0.00303859/step Wall: 10372.3, 0.00303859/step, 1.2936 hours remaining, 205.230469 MB of memory in use. ENERGY: 3467400 704.5667 2077.5806 1952.7925 125.3095 -206485.1364 17785.5156 0.0000 0.0000 34194.9632 -149644.4083 298.6331 -183839.3716 -149551.8158 297.9244 79.8634 108.4293 556128.4657 -8.2377 -8.3399 PRESSURE: 3467600 -25.357 22.1103 -3.04728 22.11 -66.1902 126.618 -3.04717 126.617 101.996 GPRESSURE: 3467600 22.119 9.47924 45.3274 187.44 -66.4624 49.6846 -1.74028 220.505 145.891 PRESSAVG: 3467600 -19.7744 -20.1299 7.17666 -20.13 11.4273 -26.9925 7.17664 -26.9925 0.529302 GPRESSAVG: 3467600 -19.5577 -20.1435 9.14788 -21.2971 12.0857 -24.8881 5.89947 -28.8411 -0.997695 TIMING: 3467600 CPU: 10372.9, 0.00305451/step Wall: 10372.9, 0.00305451/step, 1.3002 hours remaining, 205.230469 MB of memory in use. ENERGY: 3467600 748.9522 2104.4381 1956.3211 122.5772 -206660.0456 17922.9657 0.0000 0.0000 34138.9148 -149665.8765 298.1436 -183804.7913 -149573.2491 298.1527 3.4828 33.8492 556814.4028 -2.6059 -2.8233 PRESSURE: 3467800 40.9608 8.98955 153.336 8.98781 -160.334 51.4124 153.335 51.4109 12.1321 GPRESSURE: 3467800 22.219 17.7227 149.316 24.4029 -102.196 26.2378 56.4463 156.103 70.3195 PRESSAVG: 3467800 -22.5167 -30.0782 -25.7555 -30.0782 6.03071 -22.3248 -25.7556 -22.3247 -7.19949 GPRESSAVG: 3467800 -22.7695 -28.483 -27.9909 -29.2092 5.72742 -23.6567 -25.3009 -19.4524 -6.93761 TIMING: 3467800 CPU: 10373.5, 0.003046/step Wall: 10373.5, 0.003046/step, 1.29641 hours remaining, 205.230469 MB of memory in use. ENERGY: 3467800 727.0120 2151.0449 1945.5447 110.8680 -206398.1578 17704.1783 0.0000 0.0000 34146.2653 -149613.2447 298.2078 -183759.5100 -149511.4824 298.4021 -35.7470 -3.2193 556483.6557 -7.8952 -7.9932 PRESSURE: 3468000 -62.5545 105.845 286.49 105.846 145.646 101.788 286.49 101.787 266.643 GPRESSURE: 3468000 -9.55471 26.2359 297.815 122.233 193.987 171.381 277.866 -29.679 254.848 PRESSAVG: 3468000 11.4959 15.8383 37.6331 15.8382 11.0649 2.74562 37.633 2.74555 -16.6271 GPRESSAVG: 3468000 12.1839 15.3413 38.152 14.1699 11.3961 3.37143 37.4518 0.394341 -17.4309 TIMING: 3468000 CPU: 10374.1, 0.00303015/step Wall: 10374.1, 0.00303015/step, 1.2895 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: 3468000 726.8190 2117.9725 1910.5289 96.9286 -206753.5487 17925.4665 0.0000 0.0000 34473.6485 -149502.1847 301.0669 -183975.8332 -149405.3435 298.3658 116.5781 146.4268 556811.8691 1.9779 2.0497 PRESSURE: 3468200 -94.992 -38.3526 118.224 -38.3527 -15.2164 20.1667 118.224 20.1662 -56.4253 GPRESSURE: 3468200 -73.6237 -89.2277 119.299 23.0179 21.2245 26.9756 125.64 17.5812 -19.2833 PRESSAVG: 3468200 -103.869 -7.61392 42.4113 -7.61398 -1.68666 29.2318 42.4112 29.2318 134.827 GPRESSAVG: 3468200 -105.047 -7.73859 43.1643 -4.9149 -1.18714 28.0387 42.6019 30.4389 135.745 TIMING: 3468200 CPU: 10374.7, 0.00303204/step Wall: 10374.7, 0.00303204/step, 1.29013 hours remaining, 205.230469 MB of memory in use. ENERGY: 3468200 774.1117 2155.7354 1950.8819 113.9014 -206465.7545 17693.8614 0.0000 0.0000 34359.1920 -149418.0706 300.0674 -183777.2626 -149320.9437 298.9283 -55.5446 -23.8941 556196.9517 9.7568 9.8372 LDB: ============= START OF LOAD BALANCING ============== 10378.2 LDB: ============== END OF LOAD BALANCING =============== 10378.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10378.2 LDB: ============= START OF LOAD BALANCING ============== 10378.5 LDB: Largest compute 4820 load 0.026393 is 22.3% of average load 0.118092 LDB: Average compute 0.001712 is 1.4% of average load 0.118092 LDB: TIME 10378.5 LOAD: AVG 0.118092 MAX 0.218521 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.004 MB LDB: TIME 10378.5 LOAD: AVG 0.118092 MAX 0.218521 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: TIME 10378.5 LOAD: AVG 0.118092 MAX 0.218521 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: ============== END OF LOAD BALANCING =============== 10378.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10378.5 PRESSURE: 3468400 217.192 54.5832 -65.4592 54.5834 4.74243 -50.5807 -65.461 -50.5796 156.026 GPRESSURE: 3468400 244.997 69.7478 -29.8451 29.3373 100.874 91.604 -83.3076 -103.76 137.296 PRESSAVG: 3468400 31.679 53.0623 24.563 53.0623 22.9548 2.12661 24.563 2.12671 -21.833 GPRESSAVG: 3468400 33.3045 52.2895 25.3362 51.254 23.0708 3.03176 23.6777 0.26479 -23.576 TIMING: 3468400 CPU: 10375.3, 0.00307601/step Wall: 10375.3, 0.00307601/step, 1.30867 hours remaining, 205.945312 MB of memory in use. ENERGY: 3468400 751.8046 2108.3181 1979.2477 118.6569 -206683.2750 18093.7516 0.0000 0.0000 33972.0957 -149659.4005 296.6868 -183631.4962 -149567.7201 298.2924 125.9869 161.0556 556884.9611 10.9336 10.9331 PRESSURE: 3468600 -47.0176 4.05793 -99.8205 4.05684 -195.611 -35.2999 -99.8202 -35.3018 -117.885 GPRESSURE: 3468600 -25.21 84.2727 -200.024 -81.5093 -142.671 0.906103 11.2209 -13.5055 -94.9545 PRESSAVG: 3468600 42.5944 30.7092 -54.924 30.7092 -105.408 -34.6165 -54.924 -34.6165 -14.9737 GPRESSAVG: 3468600 42.1405 30.1403 -56.922 32.6355 -105.705 -35.4317 -56.0148 -33.0206 -14.0563 TIMING: 3468600 CPU: 10375.9, 0.00302295/step Wall: 10375.9, 0.00302295/step, 1.28593 hours remaining, 205.945312 MB of memory in use. ENERGY: 3468600 776.5118 2110.7088 1948.6915 119.8771 -206290.3662 17780.2085 0.0000 0.0000 33974.8161 -149579.5524 296.7105 -183554.3685 -149476.9808 298.1899 -120.1710 -87.6119 558073.7644 -25.9291 -25.8735 PRESSURE: 3468800 -103.093 15.8976 -75.2299 15.8985 -40.3462 109.108 -75.2303 109.108 -101.925 GPRESSURE: 3468800 -17.6612 -69.3507 -45.1038 153.377 -49.2932 -4.77393 -75.4922 160.296 -71.4739 PRESSAVG: 3468800 43.6408 -2.98461 -5.61663 -2.98446 22.3062 23.324 -5.61665 23.3242 -18.9568 GPRESSAVG: 3468800 44.088 -2.62946 -6.01024 -3.96916 21.8115 24.8164 -6.01779 21.6739 -19.2166 TIMING: 3468800 CPU: 10376.5, 0.0029921/step Wall: 10376.5, 0.0029921/step, 1.27264 hours remaining, 205.945312 MB of memory in use. ENERGY: 3468800 768.5020 2133.9506 1953.8163 110.0274 -206684.1500 17864.4244 0.0000 0.0000 34128.5726 -149724.8567 298.0533 -183853.4293 -149624.1794 297.6084 -81.7879 -46.1428 559267.8841 15.6634 15.5610 PRESSURE: 3469000 -43.5014 -43.6599 78.2307 -43.6599 -22.2363 26.1432 78.2317 26.143 76.8934 GPRESSURE: 3469000 -15.9506 -39.6056 83.1756 -95.2649 10.4041 8.96865 68.4647 100.917 116.575 PRESSAVG: 3469000 8.17227 12.4638 18.0723 12.4638 -34.8069 15.8826 18.0723 15.8827 -26.7816 GPRESSAVG: 3469000 7.96547 12.8636 18.7916 11.8021 -33.6764 13.8558 18.3281 18.0042 -27.0605 TIMING: 3469000 CPU: 10377.1, 0.00301297/step Wall: 10377.1, 0.00301297/step, 1.28135 hours remaining, 205.945312 MB of memory in use. ENERGY: 3469000 775.7883 2106.8573 1904.8255 115.4592 -206912.3055 18219.5938 0.0000 0.0000 34007.0833 -149782.6981 296.9923 -183789.7814 -149686.5474 297.3754 3.7186 37.0096 558083.1493 -17.8054 -17.5905 PRESSURE: 3469200 61.8839 -63.9802 -25.2424 -63.9801 197.921 51.779 -25.2417 51.779 32.1121 GPRESSURE: 3469200 123.344 -57.4053 -19.7853 -139.16 221.105 86.1078 -42.2838 8.13895 49.4605 PRESSAVG: 3469200 16.3771 27.9361 -36.5165 27.9362 -32.9335 3.13514 -36.5165 3.13526 32.9221 GPRESSAVG: 3469200 16.6916 27.8867 -39.1052 27.4893 -32.6648 4.42087 -34.9092 0.44437 32.6794 TIMING: 3469200 CPU: 10377.7, 0.00299009/step Wall: 10377.7, 0.00299009/step, 1.27145 hours remaining, 205.945312 MB of memory in use. ENERGY: 3469200 756.0992 2087.4808 1952.5855 115.6636 -206948.9735 18156.7008 0.0000 0.0000 34305.3492 -149575.0945 299.5971 -183880.4437 -149484.8924 298.0362 97.3056 131.3034 558456.3150 5.4552 5.5687 PRESSURE: 3469400 164.453 12.6242 -122.96 12.6247 -295.553 -219.288 -122.96 -219.29 204.432 GPRESSURE: 3469400 199.058 88.5 -137.105 -10.3537 -243.866 -182.912 -87.6329 -170.774 219.474 PRESSAVG: 3469400 76.2779 25.8985 -2.32723 25.8984 -11.9826 -31.2194 -2.32736 -31.2194 -70.5356 GPRESSAVG: 3469400 75.5293 26.4191 1.36922 25.7936 -12.5721 -31.1061 -2.09143 -29.5245 -69.4234 TIMING: 3469400 CPU: 10378.4, 0.00301722/step Wall: 10378.4, 0.00301722/step, 1.28282 hours remaining, 205.945312 MB of memory in use. ENERGY: 3469400 716.6413 2187.3132 1943.5000 115.7779 -206758.7870 18065.3643 0.0000 0.0000 34057.2277 -149672.9625 297.4302 -183730.1903 -149576.0510 298.6043 24.4444 58.2221 558512.5492 -2.0801 -2.1554 PRESSURE: 3469600 -201.924 -56.6381 29.5647 -56.6385 10.9898 -36.2103 29.565 -36.211 -93.255 GPRESSURE: 3469600 -170.221 -14.4904 34.3122 -48.2885 48.1188 -31.3256 55.031 -14.7063 -64.3524 PRESSAVG: 3469600 62.2032 -8.60843 3.18173 -8.60835 -6.87629 -11.2059 3.18171 -11.2059 -44.1292 GPRESSAVG: 3469600 62.1368 -10.2644 1.94768 -8.7032 -6.29526 -10.9595 0.900882 -11.2129 -44.1722 TIMING: 3469600 CPU: 10379, 0.00302346/step Wall: 10379, 0.00302346/step, 1.28531 hours remaining, 205.945312 MB of memory in use. ENERGY: 3469600 757.7699 2126.1000 1947.6322 113.4498 -206609.3632 17888.0829 0.0000 0.0000 34208.7783 -149567.5502 298.7538 -183776.3285 -149469.2021 298.4854 -94.7297 -62.1514 557175.7060 3.7326 3.8898 PRESSURE: 3469800 -136.992 -13.7635 -185.632 -13.7635 -26.1243 -93.3864 -185.631 -93.3863 -165.575 GPRESSURE: 3469800 -116.339 3.28203 -218.346 28.1841 -9.21725 -131.838 -175.495 -69.5521 -112.503 PRESSAVG: 3469800 -28.1767 45.2248 -41.5078 45.2247 16.3709 -10.3279 -41.5078 -10.3278 -39.4818 GPRESSAVG: 3469800 -26.9116 45.9233 -41.2638 47.0666 15.7246 -9.64937 -40.9408 -11.8672 -40.2721 TIMING: 3469800 CPU: 10379.6, 0.00306026/step Wall: 10379.6, 0.00306026/step, 1.30078 hours remaining, 205.945312 MB of memory in use. ENERGY: 3469800 740.3918 2114.3347 1949.0805 120.7097 -206456.5603 17615.3252 0.0000 0.0000 34279.3947 -149637.3236 299.3705 -183916.7183 -149544.5970 297.9882 -109.5636 -79.3530 556857.2035 -17.0959 -17.1530 PRESSURE: 3470000 162.146 -23.5463 -25.6676 -23.5457 169.21 -2.11855 -25.6672 -2.11769 -68.5151 GPRESSURE: 3470000 204.467 21.1562 -86.6284 24.8493 161.979 13.342 19.2136 -44.1329 -6.06568 PRESSAVG: 3470000 10.0855 54.8448 -7.14499 54.8448 12.6361 -1.01257 -7.1451 -1.01249 48.5911 GPRESSAVG: 3470000 9.15615 54.7513 -8.90926 55.0773 13.3533 -0.826962 -5.50166 -1.03559 48.7863 TIMING: 3470000 CPU: 10380.2, 0.00304128/step Wall: 10380.2, 0.00304128/step, 1.29254 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: 3470000 742.8678 2075.4665 1927.6740 105.3018 -206506.1703 17902.8925 0.0000 0.0000 34157.2994 -149594.6683 298.3042 -183751.9677 -149493.0684 297.5310 87.6136 120.1267 556504.1226 23.7709 23.7653 PRESSURE: 3470200 -59.6719 41.3529 -107.527 41.3536 -166.072 16.2555 -107.527 16.2554 -209.96 GPRESSURE: 3470200 -60.7329 -2.70182 -106.956 68.3321 -184.919 46.3392 -160.999 54.9771 -96.1774 PRESSAVG: 3470200 121.159 10.3832 -0.89089 10.3833 -38.91 -67.2866 -0.89078 -67.2865 -57.4649 GPRESSAVG: 3470200 121.014 9.59646 0.496867 9.44679 -40.1549 -66.9793 -1.87049 -67.5749 -56.4244 TIMING: 3470200 CPU: 10380.8, 0.00301056/step Wall: 10380.8, 0.00301056/step, 1.27932 hours remaining, 205.945312 MB of memory in use. ENERGY: 3470200 710.2017 2076.1267 1941.4889 118.0054 -206005.8727 17456.7188 0.0000 0.0000 34219.6478 -149483.6835 298.8487 -183703.3313 -149388.4974 298.7260 -145.2347 -113.9430 556771.2669 8.2613 8.1448 PRESSURE: 3470400 -165.153 -82.4263 -56.2781 -82.4264 24.3398 -4.05603 -56.2793 -4.05642 -63.876 GPRESSURE: 3470400 -89.4528 -70.6206 -62.3775 -33.6549 46.8536 -39.758 -96.9339 -26.3747 -69.9465 PRESSAVG: 3470400 -9.06553 27.4274 -19.0779 27.4274 -37.6343 -69.1179 -19.0779 -69.118 -11.8406 GPRESSAVG: 3470400 -9.49638 27.4363 -19.9545 29.4047 -36.5944 -69.0021 -19.3052 -66.6048 -12.3548 TIMING: 3470400 CPU: 10381.4, 0.00305272/step Wall: 10381.4, 0.00305272/step, 1.29707 hours remaining, 205.945312 MB of memory in use. ENERGY: 3470400 731.1665 2136.4073 1939.4760 105.7416 -206191.5544 17693.5302 0.0000 0.0000 34165.2669 -149419.9658 298.3738 -183585.2327 -149329.8514 297.5790 -68.2298 -37.5152 556994.2182 -19.5135 -19.4819 PRESSURE: 3470600 -154.965 76.7465 -139.766 76.7472 -354.259 -129.804 -139.766 -129.803 -27.0312 GPRESSURE: 3470600 -104.484 133.977 -88.9569 74.2093 -343.553 -101.978 -209.393 -137.13 6.98161 PRESSAVG: 3470600 33.6997 54.7648 -26.8348 54.7647 -37.9703 14.7561 -26.8349 14.756 28.4153 GPRESSAVG: 3470600 34.3178 55.7342 -27.0811 53.265 -37.572 12.3363 -27.2095 14.1165 26.8335 TIMING: 3470600 CPU: 10382, 0.00305365/step Wall: 10382, 0.00305365/step, 1.29729 hours remaining, 205.945312 MB of memory in use. ENERGY: 3470600 754.5399 2104.8091 1939.4580 102.5981 -206082.4066 17555.4471 0.0000 0.0000 34224.7814 -149400.7729 298.8935 -183625.5544 -149310.5079 298.7462 -178.7515 -147.0182 557190.4210 8.0482 7.8598 PRESSURE: 3470800 115.513 -13.8682 -53.2234 -13.8681 80.1908 35.1954 -53.2226 35.1956 60.9219 GPRESSURE: 3470800 147.962 -43.2407 -30.5505 -94.8229 124.744 19.3723 -7.51857 33.7275 71.2708 PRESSAVG: 3470800 12.9921 28.8066 19.8581 28.8066 -41.0909 3.20541 19.858 3.20531 30.0879 GPRESSAVG: 3470800 11.3845 28.6685 22.4382 30.107 -41.8231 4.40119 20.0995 2.42789 31.8046 TIMING: 3470800 CPU: 10382.6, 0.00303498/step Wall: 10382.6, 0.00303498/step, 1.28919 hours remaining, 205.945312 MB of memory in use. ENERGY: 3470800 713.1952 2100.6883 1933.9312 102.2619 -206541.1047 17940.8057 0.0000 0.0000 34382.7722 -149367.4501 300.2733 -183750.2223 -149270.0480 299.3580 85.5419 114.6588 555944.4119 0.6630 0.4554 PRESSURE: 3471000 -66.5677 148.521 -13.2351 148.522 122.682 -218.747 -13.2362 -218.747 155.35 GPRESSURE: 3471000 -57.318 144.555 47.937 185.286 195.312 -213.301 -91.0793 -224.987 171.351 PRESSAVG: 3471000 13.3165 15.8974 -34.9341 15.8974 0.502064 40.7578 -34.934 40.7578 7.08438 GPRESSAVG: 3471000 14.3787 15.5176 -36.37 12.7682 0.305582 40.2669 -35.666 40.653 6.51941 TIMING: 3471000 CPU: 10383.2, 0.00304857/step Wall: 10383.2, 0.00304857/step, 1.2948 hours remaining, 205.945312 MB of memory in use. ENERGY: 3471000 735.8648 2004.1332 1951.5797 118.6851 -206478.3441 17955.4763 0.0000 0.0000 34103.0239 -149609.5810 297.8302 -183712.6049 -149507.9537 298.5646 70.4882 103.1149 556522.7440 6.9676 7.0679 PRESSURE: 3471200 -145.07 -13.031 -24.8831 -13.0301 -229.676 -83.1887 -24.8839 -83.1907 -309.763 GPRESSURE: 3471200 -109.444 -69.2188 -11.7887 -43.8774 -158.089 -93.4103 37.7361 -54.1178 -311.513 PRESSAVG: 3471200 24.9524 -4.38768 13.4119 -4.38768 39.0597 -6.23481 13.4119 -6.23475 -98.2898 GPRESSAVG: 3471200 24.2791 -4.62523 14.3304 -3.27246 38.1747 -5.55959 13.7 -3.31711 -96.7716 TIMING: 3471200 CPU: 10383.8, 0.0030285/step Wall: 10383.8, 0.0030285/step, 1.2861 hours remaining, 205.945312 MB of memory in use. ENERGY: 3471200 730.1966 2090.0909 1941.8765 114.7836 -206007.2047 17455.0652 0.0000 0.0000 34153.7093 -149521.4825 298.2728 -183675.1919 -149426.0196 298.5463 -228.1696 -193.0155 557769.0487 -11.4259 -11.4393 PRESSURE: 3471400 -27.3532 -113.292 111.161 -113.291 83.7198 95.2859 111.16 95.2869 -71.2296 GPRESSURE: 3471400 12.0168 -83.0592 59.0817 -174.676 123.051 113.832 104.005 108.039 -51.8529 PRESSAVG: 3471400 4.69212 -1.23001 -37.2395 -1.23003 21.0384 -31.5603 -37.2396 -31.5604 -41.1081 GPRESSAVG: 3471400 4.40616 -2.34511 -38.7375 -1.21202 21.765 -31.7216 -36.0029 -34.6177 -41.6907 TIMING: 3471400 CPU: 10384.4, 0.0030294/step Wall: 10384.4, 0.0030294/step, 1.28632 hours remaining, 205.945312 MB of memory in use. ENERGY: 3471400 763.0560 2101.5521 1938.0009 135.3311 -206679.2187 18114.1802 0.0000 0.0000 34015.8217 -149611.2769 297.0686 -183627.0986 -149513.9614 298.6757 -4.9543 27.7382 557045.2494 -5.1259 -5.1732 PRESSURE: 3471600 -104.468 50.7985 -105.154 50.8002 212.721 149.03 -105.153 149.032 54.1663 GPRESSURE: 3471600 -76.7589 71.8147 -93.6812 -7.1311 213.358 148.103 -79.2507 69.358 127.882 PRESSAVG: 3471600 -21.0288 -4.88767 -4.25255 -4.88763 -3.40184 51.6127 -4.25256 51.6128 21.1296 GPRESSAVG: 3471600 -21.0921 -1.84957 -3.82351 -7.08554 -2.96909 50.5468 -4.16923 51.2456 20.9578 TIMING: 3471600 CPU: 10385, 0.00303493/step Wall: 10385, 0.00303493/step, 1.2885 hours remaining, 205.945312 MB of memory in use. ENERGY: 3471600 745.9116 2155.0922 1931.6844 119.7884 -206860.9634 17964.6811 0.0000 0.0000 34252.8181 -149690.9875 299.1384 -183943.8056 -149586.1606 298.3695 54.1400 88.1604 555920.6069 -1.1003 -1.0344 PRESSURE: 3471800 98.6077 -51.8375 -38.1637 -51.8381 73.9481 4.05582 -38.1616 4.05558 -86.2545 GPRESSURE: 3471800 71.511 -60.5961 57.922 -26.3535 150.163 5.28597 -13.6914 -10.3963 -39.6657 PRESSAVG: 3471800 -61.9785 -17.0125 22.6066 -17.0124 67.565 62.3399 22.6067 62.3399 25.2955 GPRESSAVG: 3471800 -61.3633 -18.5115 23.5597 -16.3451 67.4648 64.071 23.427 62.813 24.8986 TIMING: 3471800 CPU: 10385.6, 0.00302857/step Wall: 10385.6, 0.00302857/step, 1.28563 hours remaining, 205.945312 MB of memory in use. ENERGY: 3471800 764.5545 2108.1440 1913.5962 116.4963 -206915.1442 18000.3934 0.0000 0.0000 34225.8891 -149786.0707 298.9032 -184011.9598 -149688.5492 297.6438 28.7671 60.6694 554980.7097 10.2940 10.3334 PRESSURE: 3472000 -157.197 178.683 -24.9002 178.683 78.2827 96.7 -24.8996 96.6999 -9.95793 GPRESSURE: 3472000 -117.909 73.3297 -21.0092 232.777 118.972 122.668 9.1101 108.546 5.87258 PRESSAVG: 3472000 -88.4854 58.2474 -7.01893 58.2476 41.2436 48.8651 -7.01893 48.8652 36.0981 GPRESSAVG: 3472000 -87.9515 58.4532 -6.65064 59.5773 42.0881 45.9521 -8.21691 48.4804 35.2248 TIMING: 3472000 CPU: 10386.2, 0.0030239/step Wall: 10386.2, 0.0030239/step, 1.28348 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: 3472000 764.4523 2034.3591 1963.2989 120.6417 -206626.0155 17867.7791 0.0000 0.0000 34106.5578 -149768.9266 297.8611 -183875.4844 -149674.9724 298.2500 -29.6240 2.3119 556435.4456 -3.7145 -3.5462 PRESSURE: 3472200 -90.9092 -20.6774 -111.357 -20.6767 -405.332 0.502377 -111.357 0.502518 2.73326 GPRESSURE: 3472200 -30.9193 -4.75729 -141.912 21.3985 -348.081 -59.542 -111.943 5.7021 -10.0999 PRESSAVG: 3472200 4.82587 -6.39102 -4.52994 -6.39098 29.3064 -45.2728 -4.52991 -45.2729 20.4237 GPRESSAVG: 3472200 4.5496 -5.4903 -4.63005 -8.24434 28.3425 -45.3123 -5.47854 -44.4585 22.003 TIMING: 3472200 CPU: 10386.9, 0.00304179/step Wall: 10386.9, 0.00304179/step, 1.2909 hours remaining, 205.945312 MB of memory in use. ENERGY: 3472200 762.9893 2072.7381 1930.6570 104.4594 -206410.6446 17752.2198 0.0000 0.0000 34159.5709 -149628.0102 298.3240 -183787.5811 -149533.7556 298.4342 -164.5026 -129.7000 556787.5325 18.1853 18.2984 LDB: ============= START OF LOAD BALANCING ============== 10390.3 LDB: ============== END OF LOAD BALANCING =============== 10390.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10390.3 LDB: ============= START OF LOAD BALANCING ============== 10390.6 LDB: Largest compute 4820 load 0.026435 is 22.4% of average load 0.118160 LDB: Average compute 0.001712 is 1.4% of average load 0.118160 LDB: TIME 10390.6 LOAD: AVG 0.11816 MAX 0.217447 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.418 MB LDB: TIME 10390.6 LOAD: AVG 0.11816 MAX 0.217447 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.617 MB LDB: TIME 10390.6 LOAD: AVG 0.11816 MAX 0.217447 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10390.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10390.6 PRESSURE: 3472400 49.3825 -40.1932 46.4123 -40.1942 -65.565 -140.264 46.4121 -140.265 -3.52704 GPRESSURE: 3472400 91.6416 -67.5221 23.9902 114.067 -63.4163 -147.466 41.1382 -171.096 50.8184 PRESSAVG: 3472400 54.4968 -31.7754 -13.3691 -31.7754 -20.4467 -19.765 -13.3691 -19.7651 -10.7426 GPRESSAVG: 3472400 54.4956 -33.2184 -13.5553 -29.0392 -19.816 -20.4111 -13.5759 -19.7409 -11.542 TIMING: 3472400 CPU: 10387.5, 0.00308827/step Wall: 10387.5, 0.00308827/step, 1.31046 hours remaining, 207.160156 MB of memory in use. ENERGY: 3472400 763.4740 2123.0014 1933.7864 102.3952 -206532.4281 17952.1390 0.0000 0.0000 34135.1773 -149522.4548 298.1110 -183657.6321 -149429.4747 298.7746 -6.5698 26.3479 557356.9249 7.7692 7.7125 PRESSURE: 3472600 170.103 -131.133 -8.25681 -131.133 35.838 -31.4794 -8.25661 -31.4814 -27.3599 GPRESSURE: 3472600 195.939 -67.0238 27.436 -233.825 33.0174 36.0818 -25.8321 -73.4418 52.1063 PRESSAVG: 3472600 0.551647 -78.6214 6.02186 -78.6214 -62.8165 -35.538 6.02191 -35.538 17.4074 GPRESSAVG: 3472600 1.71343 -78.8584 6.87642 -83.1722 -63.864 -34.1249 8.54127 -34.9873 17.3715 TIMING: 3472600 CPU: 10388.1, 0.0030552/step Wall: 10388.1, 0.0030552/step, 1.29625 hours remaining, 207.359375 MB of memory in use. ENERGY: 3472600 763.8332 2103.1463 1951.3069 98.8003 -206544.3695 18034.9366 0.0000 0.0000 34011.0800 -149581.2661 297.0272 -183592.3461 -149484.0495 298.3398 59.5269 93.6876 555517.1056 -14.9525 -14.9263 PRESSURE: 3472800 -21.7221 -102.708 -25.4738 -102.708 -221.603 -141.683 -25.4729 -141.682 34.9139 GPRESSURE: 3472800 10.5795 -197.057 19.0801 -21.4745 -194.954 -87.5237 -2.9714 -84.1735 63.0853 PRESSAVG: 3472800 -1.80682 -27.0425 18.0092 -27.0425 -90.7858 -9.72591 18.0091 -9.72598 28.9036 GPRESSAVG: 3472800 -2.08779 -24.3557 17.6338 -24.9794 -92.0199 -6.23633 16.9096 -12.1248 29.3615 TIMING: 3472800 CPU: 10388.7, 0.0030524/step Wall: 10388.7, 0.0030524/step, 1.2949 hours remaining, 207.359375 MB of memory in use. ENERGY: 3472800 790.0584 2060.9631 1940.3223 106.7462 -206240.4786 17755.4566 0.0000 0.0000 34062.9748 -149523.9572 297.4804 -183586.9320 -149421.2807 298.2714 -69.4704 -40.4296 555491.6015 -21.2297 -21.5821 PRESSURE: 3473000 -127.995 49.2501 61.0595 49.2495 -92.6071 -90.1576 61.0601 -90.1567 -106.209 GPRESSURE: 3473000 -83.751 84.7451 -25.2441 37.5514 -18.1052 -84.0226 67.6065 -24.8567 -118.468 PRESSAVG: 3473000 75.4042 -52.6449 -77.4308 -52.6449 -6.08105 -58.179 -77.4308 -58.179 -23.5564 GPRESSAVG: 3473000 75.4244 -52.9625 -78.0596 -52.9178 -4.40972 -61.8931 -76.6125 -55.0372 -24.4398 TIMING: 3473000 CPU: 10389.3, 0.00302974/step Wall: 10389.3, 0.00302974/step, 1.28511 hours remaining, 207.359375 MB of memory in use. ENERGY: 3473000 799.2561 2067.6486 1910.8294 102.9472 -206228.7096 17796.7926 0.0000 0.0000 34060.3638 -149490.8720 297.4576 -183551.2357 -149392.6478 298.9584 -108.9371 -73.4413 556769.9721 15.2556 15.5250 PRESSURE: 3473200 166.303 -82.2551 -8.27733 -82.2548 58.151 -3.82557 -8.27734 -3.82595 121.361 GPRESSURE: 3473200 183.772 -139.427 44.349 7.93714 55.4134 -100.378 50.1688 -16.3874 194.782 PRESSAVG: 3473200 34.4731 -13.8477 37.0698 -13.8476 -27.6145 2.71553 37.0697 2.71541 -41.4326 GPRESSAVG: 3473200 34.498 -14.7268 38.5834 -14.6664 -29.2476 2.88099 36.6362 0.962136 -39.796 TIMING: 3473200 CPU: 10389.9, 0.00303186/step Wall: 10389.9, 0.00303186/step, 1.28585 hours remaining, 207.359375 MB of memory in use. ENERGY: 3473200 722.9632 2145.5603 1940.7882 123.8375 -206520.3314 17861.1984 0.0000 0.0000 34335.4360 -149390.5478 299.8599 -183725.9839 -149291.4665 298.9075 115.2716 144.6560 556579.9150 -11.5247 -11.5152 PRESSURE: 3473400 -230.685 162.974 -103.255 162.974 22.1294 37.5862 -103.256 37.5854 -276.117 GPRESSURE: 3473400 -208.668 102.643 -50.4634 192.37 50.0306 37.2344 -88.4808 -36.2399 -226.859 PRESSAVG: 3473400 -6.2258 -17.9832 18.8812 -17.9831 13.0622 37.7433 18.8812 37.7434 4.7934 GPRESSAVG: 3473400 -6.86646 -17.6419 18.2194 -16.7607 14.2231 36.7527 19.0416 37.6379 4.4111 TIMING: 3473400 CPU: 10390.5, 0.00304935/step Wall: 10390.5, 0.00304935/step, 1.29309 hours remaining, 207.558594 MB of memory in use. ENERGY: 3473400 751.0084 2170.5704 1947.4955 110.8875 -206137.9877 17573.7532 0.0000 0.0000 34319.0896 -149265.1831 299.7171 -183584.2727 -149165.7408 299.2638 -161.5573 -128.4988 558536.7099 3.8766 3.9226 PRESSURE: 3473600 -7.09276 89.1097 -103.706 89.1093 -176.639 168.996 -103.707 168.997 84.9985 GPRESSURE: 3473600 48.5617 77.3929 -61.9488 116.826 -110.676 131.663 -59.2978 251.569 57.0479 PRESSAVG: 3473600 46.5094 43.2032 -34.0288 43.2033 34.8796 29.9086 -34.0289 29.9085 -56.7124 GPRESSAVG: 3473600 47.173 42.3676 -34.47 42.8445 34.5776 31.0591 -34.6493 32.3248 -57.4734 TIMING: 3473600 CPU: 10391.1, 0.00304495/step Wall: 10391.1, 0.00304495/step, 1.29106 hours remaining, 207.558594 MB of memory in use. ENERGY: 3473600 777.1604 2088.8238 2013.5271 106.4941 -206159.7495 17861.0395 0.0000 0.0000 34062.1116 -149250.5930 297.4729 -183312.7047 -149157.4974 299.5139 -32.9113 -1.6890 556820.9547 8.2255 8.0924 PRESSURE: 3473800 -154.671 -153.908 40.9338 -153.909 125.795 198.848 40.9341 198.847 -143.382 GPRESSURE: 3473800 -112.137 -131.708 59.3672 -116.423 126.649 214.298 -35.8351 198.464 -102.686 PRESSAVG: 3473800 26.1175 5.11756 -5.838 5.11762 -32.3758 34.0555 -5.83798 34.0554 -6.29213 GPRESSAVG: 3473800 25.3005 4.42619 -6.66648 5.90533 -32.0121 35.836 -5.12863 30.4304 -5.97013 TIMING: 3473800 CPU: 10391.7, 0.00307145/step Wall: 10391.7, 0.00307145/step, 1.30212 hours remaining, 207.558594 MB of memory in use. ENERGY: 3473800 741.5555 2161.1847 1945.3081 120.2969 -206509.3845 17892.8909 0.0000 0.0000 34428.3265 -149219.8219 300.6711 -183648.1484 -149128.3397 299.4883 -57.4192 -29.3913 557980.9075 -4.1835 -4.2272 PRESSURE: 3474000 -88.6112 -65.9236 62.2921 -65.9254 -164.777 151.697 62.2913 151.697 -147.319 GPRESSURE: 3474000 -97.0325 -142.29 77.5424 -98.9938 -136.195 176.408 72.5891 129.867 -68.8275 PRESSAVG: 3474000 11.8412 28.7511 -36.2927 28.7511 -28.1892 8.34521 -36.2927 8.34519 -10.6907 GPRESSAVG: 3474000 12.5873 28.5278 -34.8006 28.2748 -29.4786 6.96175 -36.4337 11.1876 -10.7022 TIMING: 3474000 CPU: 10392.4, 0.00306254/step Wall: 10392.4, 0.00306254/step, 1.29818 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: 3474000 784.7382 2090.3940 1943.4186 115.5295 -206204.7788 17726.1229 0.0000 0.0000 34293.6179 -149250.9578 299.4947 -183544.5757 -149152.2489 299.5304 -133.5691 -100.6852 556592.8397 -9.0129 -9.1978 PRESSURE: 3474200 -91.1448 7.59095 7.53112 7.5913 -202.886 -29.0544 7.53139 -29.0538 170.284 GPRESSURE: 3474200 -60.0589 -16.2878 3.20122 -56.2533 -168.443 -94.3258 22.2135 22.5893 201.309 PRESSAVG: 3474200 22.4685 -8.96547 12.5571 -8.96543 -85.5537 10.8601 12.557 10.86 62.4413 GPRESSAVG: 3474200 21.7224 -6.03875 10.7205 -8.79128 -84.0594 10.9766 13.6529 7.82037 62.2584 TIMING: 3474200 CPU: 10393, 0.00304401/step Wall: 10393, 0.00304401/step, 1.29015 hours remaining, 207.558594 MB of memory in use. ENERGY: 3474200 728.2725 2147.0058 1961.0703 109.2642 -205791.7028 17521.8079 0.0000 0.0000 34249.2841 -149074.9981 299.1075 -183324.2822 -148980.9618 299.5575 -41.2492 -9.0642 555945.4325 -0.2146 -0.0262 PRESSURE: 3474400 71.2991 10.355 192.574 10.3547 -119.504 -154.925 192.573 -154.927 -100.203 GPRESSURE: 3474400 91.7851 -2.42417 160.151 25.2217 -81.9088 -166.444 162.37 -113.675 -66.3935 PRESSAVG: 3474400 76.4614 -0.786395 -27.7114 -0.78628 -128.539 19.0149 -27.7115 19.0148 75.8935 GPRESSAVG: 3474400 76.2177 -1.86203 -26.7106 -2.18117 -129.222 18.0392 -28.6198 20.7725 77.509 TIMING: 3474400 CPU: 10393.6, 0.00307622/step Wall: 10393.6, 0.00307622/step, 1.30363 hours remaining, 207.558594 MB of memory in use. ENERGY: 3474400 769.1746 2091.0612 1943.7130 108.2128 -205793.9313 17614.5647 0.0000 0.0000 34247.3471 -149019.8579 299.0906 -183267.2050 -148929.4250 300.2042 -49.4691 -18.8391 555471.8094 7.9385 8.1683 PRESSURE: 3474600 -33.2919 71.9732 -157.278 71.973 -228.583 -65.7323 -157.279 -65.7323 1.67414 GPRESSURE: 3474600 13.0751 3.74611 -96.9183 108.388 -245.642 -61.1603 -195.651 -128.912 72.4938 PRESSAVG: 3474600 40.3554 11.057 22.2821 11.057 -6.20257 8.24752 22.2822 8.24761 12.2625 GPRESSAVG: 3474600 40.8526 10.3993 22.3009 10.9888 -4.95159 11.8799 22.1913 6.71722 10.8844 TIMING: 3474600 CPU: 10394.2, 0.00305808/step Wall: 10394.2, 0.00305808/step, 1.29578 hours remaining, 207.558594 MB of memory in use. ENERGY: 3474600 737.6300 2106.6909 1925.3597 102.6732 -205593.2133 17556.0471 0.0000 0.0000 34112.8609 -149051.9516 297.9161 -183164.8124 -148959.7313 300.0033 -86.7337 -53.3576 556916.1502 15.4718 15.5951 PRESSURE: 3474800 19.2659 -118.84 43.9043 -118.84 94.0726 34.3827 43.9057 34.3827 -6.87572 GPRESSURE: 3474800 60.9033 -82.4253 27.7506 -173.035 109.936 -30.9434 90.2752 66.5237 19.1493 PRESSAVG: 3474800 -4.45208 50.425 -20.8948 50.4251 21.9266 49.9883 -20.8948 49.9882 38.6751 GPRESSAVG: 3474800 -4.41378 50.8926 -20.9776 51.9361 21.444 47.9071 -21.8656 50.4664 39.4064 TIMING: 3474800 CPU: 10394.8, 0.00306394/step Wall: 10394.8, 0.00306394/step, 1.29809 hours remaining, 207.558594 MB of memory in use. ENERGY: 3474800 741.6135 2150.1460 1939.7428 102.6468 -206104.0539 17824.9135 0.0000 0.0000 34304.4499 -149040.5414 299.5893 -183344.9914 -148949.5870 299.3400 35.4876 63.3294 556499.1643 18.7166 18.8122 PRESSURE: 3475000 -321.445 76.1284 -19.1912 76.1289 -312.914 -51.9066 -19.1912 -51.9074 -344.807 GPRESSURE: 3475000 -333.58 98.4951 11.3842 72.5989 -227.489 -67.0137 24.6941 -8.3019 -324.062 PRESSAVG: 3475000 -20.0002 21.5749 -16.8199 21.575 43.8821 48.9503 -16.8199 48.9503 -33.7718 GPRESSAVG: 3475000 -20.5614 21.0846 -16.8249 20.6494 44.1464 48.8193 -15.3321 48.2415 -33.8606 TIMING: 3475000 CPU: 10395.4, 0.00308375/step Wall: 10395.4, 0.00308375/step, 1.30631 hours remaining, 207.558594 MB of memory in use. ENERGY: 3475000 805.5495 2119.9049 1922.3742 111.6753 -206078.2984 17481.1828 0.0000 0.0000 34348.2852 -149289.3266 299.9721 -183637.6118 -149200.3550 299.2265 -326.3886 -295.0433 558415.9722 -3.2966 -3.4252 PRESSURE: 3475200 50.5429 -146.378 -219.903 -146.379 51.3083 65.2318 -219.902 65.2311 -179.141 GPRESSURE: 3475200 122.286 -103.819 -232.914 -114.299 72.8285 98.4317 -213.379 17.5889 -185.901 PRESSAVG: 3475200 78.7457 -6.88104 -57.0473 -6.88097 -6.20233 44.5157 -57.0473 44.5157 -67.2757 GPRESSAVG: 3475200 79.4132 -8.55679 -56.1232 -5.57129 -5.91687 43.2063 -58.3204 46.1949 -68.1386 TIMING: 3475200 CPU: 10396, 0.00309436/step Wall: 10396, 0.00309436/step, 1.31063 hours remaining, 207.558594 MB of memory in use. ENERGY: 3475200 747.3901 2132.1618 1937.9351 135.5976 -206706.7253 17900.2972 0.0000 0.0000 34495.4731 -149357.8703 301.2575 -183853.3434 -149266.3032 298.8595 -25.7633 3.0712 556879.0331 1.7559 1.7859 PRESSURE: 3475400 -132.248 111.854 65.0083 111.854 -43.4105 -48.8787 65.0077 -48.8805 179.596 GPRESSURE: 3475400 -151.341 62.1764 17.7005 146.898 9.54677 -76.0303 89.4931 19.4804 225.109 PRESSAVG: 3475400 23.1912 -0.910564 -76.6299 -0.910473 -25.1284 83.445 -76.6298 83.4451 11.0343 GPRESSAVG: 3475400 22.2569 1.18889 -76.3773 -1.13939 -24.8236 85.5536 -76.2872 80.4732 11.747 TIMING: 3475400 CPU: 10396.6, 0.00305202/step Wall: 10396.6, 0.00305202/step, 1.29253 hours remaining, 207.558594 MB of memory in use. ENERGY: 3475400 808.7217 2114.3021 1962.2154 109.2161 -206686.5878 18047.4530 0.0000 0.0000 34265.9272 -149378.7523 299.2529 -183644.6795 -149282.9466 299.3263 1.3125 27.7714 556036.9736 3.0324 3.0601 PRESSURE: 3475600 -100.106 26.8443 24.1427 26.8435 -14.8315 -2.62523 24.1432 -2.62575 -476.175 GPRESSURE: 3475600 -74.5967 -71.882 57.0865 51.4279 7.03877 -37.4796 9.30334 -1.45168 -439.141 PRESSAVG: 3475600 -38.4803 -38.6173 -40.1862 -38.6173 27.0823 22.933 -40.1862 22.9331 37.4949 GPRESSAVG: 3475600 -37.6343 -39.7294 -40.9075 -39.0092 27.4768 21.839 -41.3415 26.8855 36.6866 TIMING: 3475600 CPU: 10397.3, 0.00306834/step Wall: 10397.3, 0.00306834/step, 1.29927 hours remaining, 207.558594 MB of memory in use. ENERGY: 3475600 717.9354 2067.0714 1957.9962 117.0295 -206198.7603 17526.0850 0.0000 0.0000 34336.0736 -149476.5692 299.8655 -183812.6428 -149379.0365 298.9622 -197.0376 -168.8998 556695.5196 8.6990 8.8430 PRESSURE: 3475800 -199.228 94.7084 -35.3371 94.7079 -23.8926 179.789 -35.3378 179.792 -140.542 GPRESSURE: 3475800 -196.452 74.4633 -137.521 26.4549 -38.2731 111.112 -43.8674 186.585 -33.5172 PRESSAVG: 3475800 -38.0205 -31.9867 7.69351 -31.9867 -6.39999 -11.0436 7.69352 -11.0436 8.80432 GPRESSAVG: 3475800 -38.0176 -31.8207 7.63004 -30.9304 -7.26083 -12.0538 8.30783 -11.2942 10.1141 TIMING: 3475800 CPU: 10397.9, 0.00308315/step Wall: 10397.9, 0.00308315/step, 1.30537 hours remaining, 207.558594 MB of memory in use. ENERGY: 3475800 807.5813 2110.2941 1952.2024 105.2098 -206109.2873 17587.5129 0.0000 0.0000 34190.8033 -149355.6835 298.5968 -183546.4868 -149258.1680 298.6210 -121.2206 -89.4140 557586.1680 -11.8721 -11.7214 PRESSURE: 3476000 -116.385 -45.9731 -39.6363 -45.9732 163.118 -118.256 -39.637 -118.259 9.19121 GPRESSURE: 3476000 -98.1237 -109.77 -53.8071 -7.14227 219.031 -155.475 42.9291 -87.4378 33.0068 PRESSAVG: 3476000 -42.1261 -3.44809 37.6578 -3.44808 32.3897 -28.2563 37.6579 -28.2562 -28.2483 GPRESSAVG: 3476000 -41.0849 -4.59936 35.2677 -4.86981 32.1432 -28.6849 39.1608 -26.7751 -28.5187 TIMING: 3476000 CPU: 10398.5, 0.00306168/step Wall: 10398.5, 0.00306168/step, 1.29611 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: 3476000 750.9730 2099.9892 1974.1909 123.6368 -206261.0327 17892.8644 0.0000 0.0000 34058.9708 -149360.4075 297.4455 -183419.3783 -149266.3565 298.5328 18.6413 51.3047 556673.4200 -12.6616 -12.4868 PRESSURE: 3476200 -77.6159 44.4323 3.53545 44.4317 -1.39889 -183.91 3.5344 -183.912 129.423 GPRESSURE: 3476200 -42.8751 97.442 -2.07142 24.3149 34.5492 -227.438 40.0583 -196.573 155.294 PRESSAVG: 3476200 23.3939 -25.5935 38.0496 -25.5935 -54.1576 -55.8942 38.0496 -55.8941 20.4468 GPRESSAVG: 3476200 23.3165 -24.5953 41.4892 -25.0931 -53.3896 -56.6212 37.1406 -58.1015 20.2368 TIMING: 3476200 CPU: 10399.1, 0.0030653/step Wall: 10399.1, 0.0030653/step, 1.29747 hours remaining, 207.558594 MB of memory in use. ENERGY: 3476200 760.3858 2081.6310 1928.9333 116.8518 -206137.0808 17749.3884 0.0000 0.0000 34201.6959 -149298.1946 298.6919 -183499.8905 -149196.5554 299.1841 16.8026 48.9893 557423.7881 -3.4389 -3.2787 LDB: ============= START OF LOAD BALANCING ============== 10402.5 LDB: ============== END OF LOAD BALANCING =============== 10402.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10402.5 LDB: ============= START OF LOAD BALANCING ============== 10402.8 LDB: Largest compute 4820 load 0.026872 is 22.8% of average load 0.118116 LDB: Average compute 0.001709 is 1.4% of average load 0.118116 LDB: TIME 10402.8 LOAD: AVG 0.118116 MAX 0.219621 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.199 MB LDB: TIME 10402.8 LOAD: AVG 0.118116 MAX 0.219621 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: TIME 10402.8 LOAD: AVG 0.118116 MAX 0.219621 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10402.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10402.9 PRESSURE: 3476400 -102.865 -108.564 -146.078 -108.564 -239.152 26.0346 -146.078 26.0347 215.463 GPRESSURE: 3476400 -78.7848 -89.2365 -116.618 -122.842 -202.466 32.3693 -179.204 -88.8482 244.92 PRESSAVG: 3476400 -27.0639 55.1267 -28.6721 55.1267 -73.8249 -15.3025 -28.6721 -15.3025 59.451 GPRESSAVG: 3476400 -27.5797 56.5628 -30.2199 55.5832 -72.2644 -15.2495 -29.929 -15.4695 58.6387 TIMING: 3476400 CPU: 10399.7, 0.00311576/step Wall: 10399.7, 0.00311576/step, 1.31866 hours remaining, 205.945312 MB of memory in use. ENERGY: 3476400 789.8813 2053.2727 1970.7981 129.7044 -206133.1894 17768.9065 0.0000 0.0000 34004.1691 -149416.4574 296.9669 -183420.6264 -149323.9577 298.7833 -42.1845 -12.1101 558145.5016 -13.8126 -13.7351 PRESSURE: 3476600 -42.692 -76.0057 -73.2271 -76.0057 -1.51422 30.2331 -73.2273 30.2331 -77.0745 GPRESSURE: 3476600 -3.1016 -114.862 -173.815 -39.3301 38.1557 133.33 -36.632 27.3455 -59.8951 PRESSAVG: 3476600 -16.7549 -2.41343 -35.7273 -2.4134 15.7532 -10.4856 -35.7272 -10.4856 14.1005 GPRESSAVG: 3476600 -16.742 -5.11643 -34.982 -2.37777 14.2748 -8.57065 -35.8302 -10.0835 14.8815 TIMING: 3476600 CPU: 10400.3, 0.00306911/step Wall: 10400.3, 0.00306911/step, 1.29875 hours remaining, 206.144531 MB of memory in use. ENERGY: 3476600 756.0877 2094.4639 1923.1547 117.6595 -206267.1029 17728.9454 0.0000 0.0000 34320.0463 -149326.7454 299.7255 -183646.7918 -149229.1929 298.5651 -40.4269 -8.2803 558310.6301 4.3663 4.1381 PRESSURE: 3476800 97.4566 -78.85 -206.926 -78.8508 206.372 -13.4502 -206.927 -13.4479 -25.3213 GPRESSURE: 3476800 124.326 -55.7261 -212.227 -91.1864 191.693 6.42765 -186.867 10.3148 54.3916 PRESSAVG: 3476800 4.09729 -1.76226 -12.3584 -1.76218 4.04015 78.0039 -12.3585 78.0039 8.45617 GPRESSAVG: 3476800 5.29875 -0.574384 -12.5665 -1.47982 2.63997 76.5397 -12.1115 78.484 8.39921 TIMING: 3476800 CPU: 10401, 0.00308427/step Wall: 10401, 0.00308427/step, 1.30499 hours remaining, 206.144531 MB of memory in use. ENERGY: 3476800 731.6691 2089.1275 1953.0384 118.3559 -206215.9105 17909.7617 0.0000 0.0000 34151.5358 -149262.4220 298.2539 -183413.9578 -149160.9782 299.2994 92.8358 123.4700 557644.5311 5.5312 5.4460 PRESSURE: 3477000 -39.7193 -56.8363 -37.5155 -56.835 29.6565 -2.19211 -37.5137 -2.19315 -121.965 GPRESSURE: 3477000 15.3647 -84.8027 -35.09 -49.0137 74.0509 0.349539 -3.40062 -9.32657 -130.714 PRESSAVG: 3477000 5.89587 17.5241 -59.1417 17.5241 -24.2794 51.1875 -59.1417 51.1875 -3.13649 GPRESSAVG: 3477000 5.70853 17.1222 -58.7105 17.7914 -24.2389 54.6219 -57.9972 50.2183 -2.98754 TIMING: 3477000 CPU: 10401.6, 0.00306424/step Wall: 10401.6, 0.00306424/step, 1.29634 hours remaining, 206.144531 MB of memory in use. ENERGY: 3477000 757.1546 2075.8278 1930.4170 116.3098 -206027.0857 17850.9809 0.0000 0.0000 34235.2448 -149061.1508 298.9849 -183296.3957 -148968.6753 298.9114 -44.0091 -13.7661 557934.2946 -7.1733 -7.1726 PRESSURE: 3477200 108.53 19.4365 -38.0099 19.4358 -63.1214 -58.016 -38.0095 -58.0145 126.312 GPRESSURE: 3477200 112.147 -65.9375 -73.3977 96.9482 -43.47 -28.3043 -58.4836 -129.681 183.981 PRESSAVG: 3477200 25.321 9.66553 -9.6035 9.66562 8.35288 -44.4818 -9.60354 -44.4818 35.3781 GPRESSAVG: 3477200 24.432 9.66395 -9.2886 9.36254 8.37464 -46.5894 -11.1238 -45.9862 36.0738 TIMING: 3477200 CPU: 10402.2, 0.00304356/step Wall: 10402.2, 0.00304356/step, 1.28743 hours remaining, 206.144531 MB of memory in use. ENERGY: 3477200 716.2403 2082.8616 1951.6485 108.2626 -206270.9754 17935.0337 0.0000 0.0000 34256.6478 -149220.2808 299.1718 -183476.9287 -149120.1679 300.0788 57.2401 84.2194 557199.1925 23.0173 22.9601 PRESSURE: 3477400 -315.356 -0.988833 -147.381 -0.987731 -42.6323 -133.746 -147.382 -133.745 -132.273 GPRESSURE: 3477400 -270.841 -94.1724 -228.46 -22.1463 -38.8204 -65.2739 -96.461 -161.499 -96.0668 PRESSAVG: 3477400 -56.3679 -24.8649 3.01771 -24.8649 -33.993 -68.1203 3.01769 -68.1205 43.3766 GPRESSAVG: 3477400 -56.898 -23.4535 2.08552 -26.2284 -33.3076 -69.3395 2.40533 -66.9285 44.1133 TIMING: 3477400 CPU: 10402.8, 0.00305084/step Wall: 10402.8, 0.00305084/step, 1.29034 hours remaining, 206.144531 MB of memory in use. ENERGY: 3477400 742.5238 2108.6787 1956.4710 111.8254 -206203.2788 17677.9541 0.0000 0.0000 34156.8878 -149448.9380 298.3006 -183605.8258 -149351.8984 299.2782 -163.4205 -135.2428 558485.1388 -15.6614 -15.3641 PRESSURE: 3477600 -152.178 66.5699 51.2223 66.5709 -8.24627 65.5852 51.2224 65.5849 51.7894 GPRESSURE: 3477600 -91.362 35.2581 -4.73457 129.509 24.8598 125.329 81.8924 -53.2793 60.8699 PRESSAVG: 3477600 25.3338 24.5288 -33.8794 24.5288 -17.5913 -59.4763 -33.8794 -59.4763 58.3417 GPRESSAVG: 3477600 25.891 22.7054 -31.4512 25.9061 -16.6562 -57.7308 -33.6268 -57.8024 57.2749 TIMING: 3477600 CPU: 10403.4, 0.00303511/step Wall: 10403.4, 0.00303511/step, 1.28352 hours remaining, 206.144531 MB of memory in use. ENERGY: 3477600 781.3091 2138.5950 1958.6638 109.4439 -206434.8922 17819.8100 0.0000 0.0000 34323.6371 -149303.4334 299.7569 -183627.0705 -149207.4587 299.0631 -36.2116 -1.8774 557496.6286 22.0281 22.1699 PRESSURE: 3477800 -77.0962 45.5944 -171.084 45.5943 -159.867 16.599 -171.084 16.5992 -98.2119 GPRESSURE: 3477800 -110.762 -23.3098 -206.648 107.014 -84.7262 -14.4829 -151.212 -22.4973 -41.9816 PRESSAVG: 3477800 62.1047 39.2888 -19.6909 39.2888 -26.3009 -62.7036 -19.6909 -62.7037 -46.8437 GPRESSAVG: 3477800 62.9338 36.926 -21.8048 40.8245 -26.7413 -64.4293 -19.0429 -61.0264 -47.0547 TIMING: 3477800 CPU: 10404, 0.00305653/step Wall: 10404, 0.00305653/step, 1.2924 hours remaining, 206.144531 MB of memory in use. ENERGY: 3477800 721.5680 2145.6672 1938.1971 111.9400 -206117.4719 17679.3084 0.0000 0.0000 34271.2709 -149249.5205 299.2995 -183520.7914 -149148.0156 299.0756 -111.7251 -79.1565 558467.8239 -3.6799 -3.6207 PRESSURE: 3478000 -121.443 -187.804 135.789 -187.803 -188.194 -77.0599 135.789 -77.0601 -356.013 GPRESSURE: 3478000 -89.272 -185.718 185.524 -214.55 -162.081 -78.0854 54.4678 -37.2578 -318.213 PRESSAVG: 3478000 -8.13601 -24.7904 2.80182 -24.7903 54.6968 -29.5603 2.80182 -29.5605 -40.2561 GPRESSAVG: 3478000 -9.13633 -22.7367 4.44626 -26.0665 54.7039 -29.5446 -0.768793 -31.5205 -39.4059 TIMING: 3478000 CPU: 10404.6, 0.00306075/step Wall: 10404.6, 0.00306075/step, 1.29402 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: 3478000 735.9688 2099.2226 1949.3521 125.5393 -205924.4875 17577.5455 0.0000 0.0000 34186.3366 -149250.5227 298.5578 -183436.8593 -149151.5625 299.1872 -221.8833 -189.8553 558314.8392 2.1016 2.0539 PRESSURE: 3478200 -186.469 -12.6911 -123.926 -12.6915 48.0042 -259.21 -123.925 -259.211 -74.6854 GPRESSURE: 3478200 -99.6946 -8.41032 -116.002 -62.9853 100.748 -276.77 -149.853 -350.364 -116.928 PRESSAVG: 3478200 11.5377 5.49889 2.46086 5.49892 18.5495 -54.4767 2.46086 -54.4768 -39.195 GPRESSAVG: 3478200 11.2746 5.74347 2.42193 3.6669 18.1037 -54.0508 4.54114 -55.1704 -38.8815 TIMING: 3478200 CPU: 10405.2, 0.0030675/step Wall: 10405.2, 0.0030675/step, 1.2967 hours remaining, 206.144531 MB of memory in use. ENERGY: 3478200 768.5193 2085.4718 1938.9963 124.3425 -206313.4385 17812.3397 0.0000 0.0000 34343.9633 -149239.8056 299.9344 -183583.7689 -149148.2037 300.1160 -71.0501 -38.6247 556615.0093 -3.0360 -3.1677 PRESSURE: 3478400 -131.136 -44.0918 -67.7825 -44.093 -102.534 -25.832 -67.7825 -25.8331 -108.594 GPRESSURE: 3478400 -88.8763 -42.9318 -84.807 -64.7621 1.25191 -41.368 -69.2687 -46.0985 -150.518 PRESSAVG: 3478400 -4.12556 -5.72139 21.6784 -5.72147 -4.3646 -12.6161 21.6784 -12.6162 -12.8006 GPRESSAVG: 3478400 -3.96049 -5.73742 20.6279 -2.63264 -4.88043 -13.9783 21.5465 -11.2961 -12.8805 TIMING: 3478400 CPU: 10405.8, 0.00306732/step Wall: 10405.8, 0.00306732/step, 1.29645 hours remaining, 206.144531 MB of memory in use. ENERGY: 3478400 755.9163 2068.1610 1961.5695 96.7682 -205894.8681 17760.4309 0.0000 0.0000 34240.3056 -149011.7166 299.0291 -183252.0222 -148909.9071 299.9150 -114.0879 -79.3809 559515.6756 -7.0969 -7.2405 PRESSURE: 3478600 -125.427 42.6094 123.314 42.6106 -223.997 26.9923 123.314 26.9934 39.8733 GPRESSURE: 3478600 -164.735 -3.48546 107.361 120.319 -131.583 43.403 30.5764 -4.62988 84.7337 PRESSAVG: 3478600 -38.9648 -23.4436 -22.5914 -23.4437 47.0799 -5.40794 -22.5913 -5.40804 25.8987 GPRESSAVG: 3478600 -39.3423 -23.2503 -22.4682 -25.0859 47.2261 -2.91684 -23.9058 -6.79157 26.0352 TIMING: 3478600 CPU: 10406.5, 0.00307375/step Wall: 10406.5, 0.00307375/step, 1.299 hours remaining, 206.144531 MB of memory in use. ENERGY: 3478600 767.0667 2049.7345 1973.7782 113.2758 -206127.1258 17724.7927 0.0000 0.0000 34408.4837 -149089.9942 300.4978 -183498.4779 -148993.8908 299.8313 -103.1834 -70.5280 557911.9709 11.3379 11.3063 PRESSURE: 3478800 -178.924 119.922 -22.1531 119.922 -382.548 56.9732 -22.1526 56.9738 229.888 GPRESSURE: 3478800 -118.496 122.247 35.944 124.131 -390.754 86.2466 -78.7674 24.1123 273.681 PRESSAVG: 3478800 -22.7779 7.23589 10.6333 7.23582 -29.5272 -23.5093 10.6332 -23.5092 19.6515 GPRESSAVG: 3478800 -22.506 5.58908 11.5065 8.70458 -28.7074 -22.175 11.6485 -25.6814 19.1068 TIMING: 3478800 CPU: 10407.1, 0.00304793/step Wall: 10407.1, 0.00304793/step, 1.28792 hours remaining, 206.144531 MB of memory in use. ENERGY: 3478800 787.0711 2088.0075 1947.5883 113.7109 -206101.0704 17695.0330 0.0000 0.0000 34336.3941 -149133.2656 299.8683 -183469.6597 -149042.7303 299.3625 -110.5280 -78.5231 558593.0284 -10.8845 -10.7022 PRESSURE: 3479000 -283.64 145.335 15.2067 145.335 -119.84 24.2137 15.2064 24.2131 -171.125 GPRESSURE: 3479000 -212.424 129.38 -14.8975 136.105 -144.738 -2.53147 21.2778 18.8922 -117.201 PRESSAVG: 3479000 -1.49865 69.9951 -18.6748 69.9949 0.214613 -11.2868 -18.6747 -11.2868 36.8443 GPRESSAVG: 3479000 -1.22 71.8469 -16.9193 69.3216 0.340199 -14.3777 -19.9326 -8.88318 36.2566 TIMING: 3479000 CPU: 10407.7, 0.00304392/step Wall: 10407.7, 0.00304392/step, 1.28606 hours remaining, 206.144531 MB of memory in use. ENERGY: 3479000 763.8056 2085.9460 1938.7988 106.7480 -205848.9750 17507.1367 0.0000 0.0000 34268.5637 -149177.9763 299.2759 -183446.5399 -149089.7038 299.3869 -191.5351 -158.1208 558387.1570 11.8534 11.7923 PRESSURE: 3479200 -50.4312 -23.3015 -228.777 -23.302 -134.166 87.7875 -228.777 87.7869 -82.6386 GPRESSURE: 3479200 7.71834 20.2534 -269.908 -36.4841 -119.143 63.5313 -197.371 169.231 -67.7058 PRESSAVG: 3479200 -21.836 -2.33074 -8.57116 -2.33075 14.4924 28.0376 -8.57103 28.0375 -13.7438 GPRESSAVG: 3479200 -20.2795 -3.05713 -8.68605 -1.66651 13.2175 29.9458 -8.42563 27.9759 -14.041 TIMING: 3479200 CPU: 10408.3, 0.00305746/step Wall: 10408.3, 0.00305746/step, 1.29161 hours remaining, 206.144531 MB of memory in use. ENERGY: 3479200 734.9372 2108.4925 1925.2934 118.4149 -206030.5991 17579.4513 0.0000 0.0000 34230.1262 -149333.8836 298.9402 -183564.0098 -149239.6791 299.2718 -89.0786 -59.7100 558152.5319 -7.0292 -7.0343 PRESSURE: 3479400 -56.7064 185.123 -163.219 185.123 154.262 106.123 -163.219 106.125 -194.3 GPRESSURE: 3479400 -64.9671 160.216 -78.8317 185.63 138.556 5.31829 -199.429 131.133 -86.6763 PRESSAVG: 3479400 -28.5663 17.5407 -55.368 17.5408 -66.6066 25.4082 -55.3679 25.4083 38.2299 GPRESSAVG: 3479400 -31.3645 17.6966 -56.6042 15.7618 -64.4635 25.1793 -54.8243 23.6246 38.913 TIMING: 3479400 CPU: 10408.9, 0.00299205/step Wall: 10408.9, 0.00299205/step, 1.26381 hours remaining, 206.144531 MB of memory in use. ENERGY: 3479400 700.0379 2064.9858 1944.4745 108.0025 -206137.6449 17700.3151 0.0000 0.0000 34323.6650 -149296.1641 299.7571 -183619.8291 -149199.8167 298.3361 -32.2480 -4.3625 558774.3867 -18.9810 -18.9716 PRESSURE: 3479600 -83.8103 -8.38668 -5.62157 -8.38701 -163.084 -23.0137 -5.62171 -23.014 -142.665 GPRESSURE: 3479600 -22.4551 38.358 103.728 -49.3224 -135.991 -25.0366 41.1625 -14.8361 -123.254 PRESSAVG: 3479600 -20.9658 26.5538 -5.44167 26.5537 68.7832 -36.947 -5.44164 -36.9471 -20.1514 GPRESSAVG: 3479600 -19.9112 25.7393 -5.27128 28.0884 68.1759 -40.1249 -3.38864 -34.759 -20.9192 TIMING: 3479600 CPU: 10409.5, 0.00301048/step Wall: 10409.5, 0.00301048/step, 1.27143 hours remaining, 206.144531 MB of memory in use. ENERGY: 3479600 756.2424 2074.4078 1935.2133 106.0109 -205904.9659 17708.6637 0.0000 0.0000 34126.6136 -149197.8142 298.0362 -183324.4279 -149098.6918 299.3276 -129.8532 -93.8999 558379.0245 9.2220 9.1151 PRESSURE: 3479800 -149.957 77.3808 -66.7343 77.3804 -171.481 -22.8023 -66.7325 -22.8018 5.79747 GPRESSURE: 3479800 -121.123 22.3087 -84.165 56.166 -85.49 -74.1599 -98.8946 -48.4378 -1.67441 PRESSAVG: 3479800 -41.6889 9.57664 6.48469 9.57664 65.0373 18.5899 6.48471 18.5898 18.9347 GPRESSAVG: 3479800 -41.4837 9.53412 4.76567 8.32654 65.1502 19.3113 5.7064 18.3579 18.1732 TIMING: 3479800 CPU: 10410.1, 0.00300557/step Wall: 10410.1, 0.00300557/step, 1.26919 hours remaining, 206.144531 MB of memory in use. ENERGY: 3479800 738.6558 2140.3209 1931.3659 114.0274 -205944.0575 17740.9710 0.0000 0.0000 34250.1796 -149028.5369 299.1153 -183278.7166 -148929.5775 299.0849 -105.2135 -69.4293 558806.4494 14.0944 13.9466 PRESSURE: 3480000 -60.1072 3.88403 -29.7992 3.88461 255.669 -45.5894 -29.7975 -45.589 234.3 GPRESSURE: 3480000 0.436301 -10.1503 10.3085 -28.498 294.315 -52.4618 -53.0881 27.4067 233.816 PRESSAVG: 3480000 -24.2593 -2.95949 -45.9569 -2.95952 71.4188 0.428555 -45.9568 0.428516 -29.9294 GPRESSAVG: 3480000 -24.2721 -2.62223 -46.6483 -3.80124 70.5753 1.70951 -46.1931 0.496724 -28.756 TIMING: 3480000 CPU: 10410.7, 0.0030723/step Wall: 10410.7, 0.0030723/step, 1.29719 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: 3480000 765.8584 2147.2620 1930.3750 113.5907 -206124.1986 17916.4138 0.0000 0.0000 34092.1552 -149158.5435 297.7353 -183250.6987 -149076.9134 299.3833 143.2875 176.1890 556638.8058 5.7433 5.8491 PRESSURE: 3480200 -32.423 -101.45 -32.3093 -101.45 -43.2816 -87.325 -32.3097 -87.3241 -272.991 GPRESSURE: 3480200 15.7361 -98.6651 -45.227 -25.9082 -21.2729 -21.0713 -60.9528 -166.318 -249.276 PRESSAVG: 3480200 -63.0628 -43.0485 -6.83864 -43.0486 17.3775 -25.02 -6.83875 -25.0199 20.3585 GPRESSAVG: 3480200 -63.295 -42.4307 -5.10237 -42.528 17.4306 -24.4753 -8.11774 -27.1045 20.6456 TIMING: 3480200 CPU: 10411.3, 0.00308021/step Wall: 10411.3, 0.00308021/step, 1.30036 hours remaining, 206.144531 MB of memory in use. ENERGY: 3480200 763.8554 2125.5149 1967.9131 121.4016 -206102.4313 17624.3155 0.0000 0.0000 34354.2319 -149145.1988 300.0241 -183499.4307 -149045.8409 298.8187 -116.2318 -84.9375 558518.3110 -8.4423 -8.4062 LDB: ============= START OF LOAD BALANCING ============== 10414.8 LDB: ============== END OF LOAD BALANCING =============== 10414.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10414.8 LDB: ============= START OF LOAD BALANCING ============== 10415.1 LDB: Largest compute 4820 load 0.025915 is 21.9% of average load 0.118205 LDB: Average compute 0.001716 is 1.5% of average load 0.118205 LDB: TIME 10415.1 LOAD: AVG 0.118205 MAX 0.221775 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.973 MB LDB: TIME 10415.1 LOAD: AVG 0.118205 MAX 0.221775 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.977 MB LDB: TIME 10415.1 LOAD: AVG 0.118205 MAX 0.221775 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.977 MB LDB: ============== END OF LOAD BALANCING =============== 10415.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10415.1 PRESSURE: 3480400 -262.005 74.2583 36.9337 74.2591 -146.164 174.201 36.9336 174.202 -271.816 GPRESSURE: 3480400 -213.584 42.0669 32.0313 54.4954 -83.3703 104.944 -26.2923 137.252 -280.714 PRESSAVG: 3480400 -33.594 -12.4784 30.2172 -12.4784 38.4072 -23.8892 30.2173 -23.8892 -28.3397 GPRESSAVG: 3480400 -33.6621 -9.79843 28.7153 -13.9331 39.3962 -25.6556 33.4835 -22.226 -28.8436 TIMING: 3480400 CPU: 10411.9, 0.0031063/step Wall: 10411.9, 0.0031063/step, 1.3112 hours remaining, 207.222656 MB of memory in use. ENERGY: 3480400 780.6785 2106.5574 1935.6063 115.6982 -206339.4992 17804.3891 0.0000 0.0000 34343.8658 -149252.7039 299.9335 -183596.5698 -149152.3515 298.6785 -226.6618 -192.5563 559838.1335 -7.8422 -7.7032 PRESSURE: 3480600 -183.452 -16.4554 30.2336 -16.4563 -32.0066 76.2498 30.2325 76.251 24.9698 GPRESSURE: 3480600 -128.007 8.00059 58.7773 -8.72201 -57.5277 76.2101 108.275 116.505 101.927 PRESSAVG: 3480600 -27.3511 30.9359 25.9723 30.936 71.2872 -23.8799 25.9723 -23.8798 -63.2441 GPRESSAVG: 3480600 -27.1149 29.4618 27.6589 32.5766 71.405 -21.4453 24.0041 -22.8312 -63.621 TIMING: 3480600 CPU: 10412.6, 0.0030437/step Wall: 10412.6, 0.0030437/step, 1.28461 hours remaining, 207.292969 MB of memory in use. ENERGY: 3480600 759.2873 2066.4985 1921.7341 107.4735 -206286.9835 17951.9074 0.0000 0.0000 34172.9568 -149307.1260 298.4409 -183480.0828 -149216.0903 298.9857 -63.4962 -27.8694 558920.8729 -6.4360 -6.4436 PRESSURE: 3480800 -306.634 -68.2385 101.041 -68.2398 -31.5187 83.0313 101.042 83.0329 -239.976 GPRESSURE: 3480800 -248.572 -110.689 73.8674 -103.085 -41.1046 29.6642 114.111 73.6275 -190.506 PRESSAVG: 3480800 -0.824763 17.406 43.9543 17.4058 -58.0589 4.47062 43.9543 4.47057 50.2566 GPRESSAVG: 3480800 -0.740106 16.7711 43.5807 17.1393 -58.7636 4.0653 42.7338 3.8405 50.6081 TIMING: 3480800 CPU: 10413.2, 0.00302335/step Wall: 10413.2, 0.00302335/step, 1.27585 hours remaining, 207.292969 MB of memory in use. ENERGY: 3480800 733.9873 2140.8680 1960.2661 107.5183 -205867.7351 17523.8901 0.0000 0.0000 34189.0072 -149212.1980 298.5811 -183401.2052 -149117.6314 298.9981 -192.7095 -160.0608 559420.3270 -2.8757 -2.9652 PRESSURE: 3481000 162.27 17.5921 88.6988 17.593 -244.393 -172.686 88.6978 -172.685 -175 GPRESSURE: 3481000 177.432 -48.5856 22.4993 46.6826 -151.497 -117.033 70.4143 -157.444 -178.28 PRESSAVG: 3481000 -2.92779 -26.8734 -35.2178 -26.8734 -18.5469 -30.9905 -35.2178 -30.9904 -7.35253 GPRESSAVG: 3481000 -2.64069 -25.8032 -36.2157 -29.8486 -17.7886 -32.6659 -31.9872 -29.0124 -7.67374 TIMING: 3481000 CPU: 10413.8, 0.00304868/step Wall: 10413.8, 0.00304868/step, 1.28637 hours remaining, 207.496094 MB of memory in use. ENERGY: 3481000 768.4672 2048.3959 1945.3603 107.5820 -206109.9161 17618.7641 0.0000 0.0000 34237.1832 -149384.1636 299.0018 -183621.3468 -149286.2973 299.3062 -85.7072 -50.7817 557164.8150 -9.6091 -9.3677 PRESSURE: 3481200 121.125 -54.0003 -119.526 -53.9997 169.52 -8.11461 -119.525 -8.11481 -32.1838 GPRESSURE: 3481200 207.322 2.54689 -215.245 4.8899 185.236 44.1509 -64.8846 -41.6276 -26.8934 PRESSAVG: 3481200 53.4003 -50.1352 -1.64977 -50.1353 -6.32501 -25.4619 -1.64972 -25.462 -33.8182 GPRESSAVG: 3481200 52.9727 -52.1357 -2.57562 -45.8597 -7.11224 -22.8163 -3.82271 -27.0557 -32.5171 TIMING: 3481200 CPU: 10414.4, 0.00305026/step Wall: 10414.4, 0.00305026/step, 1.28687 hours remaining, 207.496094 MB of memory in use. ENERGY: 3481200 731.7920 2104.2829 1917.6960 103.3146 -206273.6180 17912.3463 0.0000 0.0000 34379.0192 -149125.1671 300.2405 -183504.1863 -149037.8562 299.2087 86.1539 121.8882 557786.1953 4.4190 4.4478 PRESSURE: 3481400 -102.373 -34.7753 290.801 -34.7762 2.95189 86.8049 290.801 86.8055 -13.4655 GPRESSURE: 3481400 -105.267 -58.5643 289.558 -54.5929 90.3636 39.9924 276.895 145.183 -7.87168 PRESSAVG: 3481400 -33.8376 -46.2355 -0.271926 -46.2355 15.8821 52.7371 -0.271989 52.7371 32.1401 GPRESSAVG: 3481400 -33.9573 -45.5161 1.19736 -47.923 16.5824 50.8418 1.50062 52.5407 31.4416 TIMING: 3481400 CPU: 10415, 0.00302642/step Wall: 10415, 0.00302642/step, 1.27665 hours remaining, 207.496094 MB of memory in use. ENERGY: 3481400 742.9433 2102.4991 1949.3136 115.9660 -205966.5562 17561.8470 0.0000 0.0000 34358.6913 -149135.2958 300.0630 -183493.9871 -149034.1378 298.4642 -37.6287 -7.5915 558068.7288 4.7282 4.6889 PRESSURE: 3481600 -159.694 127.976 -72.0773 127.975 -146.378 -30.2026 -72.0765 -30.2007 -177.274 GPRESSURE: 3481600 -153.138 66.9725 -103.168 192.501 -87.8061 -31.3726 -13.0546 -22.3591 -146.035 PRESSAVG: 3481600 23.5744 -12.6569 -22.4872 -12.6569 56.6359 -0.115929 -22.4872 -0.116093 -52.8895 GPRESSAVG: 3481600 23.6406 -14.1959 -24.6886 -13.3002 55.8108 0.559118 -21.9189 -1.15213 -51.9315 TIMING: 3481600 CPU: 10415.6, 0.00305382/step Wall: 10415.6, 0.00305382/step, 1.28803 hours remaining, 207.496094 MB of memory in use. ENERGY: 3481600 771.7086 2074.2868 1945.5726 107.8663 -205828.8199 17527.5858 0.0000 0.0000 34230.8378 -149170.9619 298.9464 -183401.7998 -149072.5709 299.4454 -161.1153 -128.9930 557588.1588 9.1069 9.1733 PRESSURE: 3481800 -23.681 43.5179 66.3332 43.5177 -91.6886 37.6698 66.3325 37.6692 -222.901 GPRESSURE: 3481800 -19.9081 22.7668 -14.0564 88.3331 -60.3129 -2.49322 143.566 139.814 -180.504 PRESSAVG: 3481800 15.2184 13.0546 -6.77024 13.0546 14.617 -34.8283 -6.77012 -34.8283 -3.08879 GPRESSAVG: 3481800 15.129 13.3714 -6.34185 16.0826 14.3855 -34.8327 -7.71509 -34.5875 -3.46427 TIMING: 3481800 CPU: 10416.2, 0.00306262/step Wall: 10416.2, 0.00306262/step, 1.29157 hours remaining, 207.496094 MB of memory in use. ENERGY: 3481800 721.7387 2105.1496 1933.2631 129.5046 -205924.4059 17676.1807 0.0000 0.0000 34244.3861 -149114.1832 299.0647 -183358.5693 -149027.8885 299.2558 -112.7570 -86.9082 558567.5580 8.9156 8.6834 PRESSURE: 3482000 -273.3 -134.362 151.39 -134.361 -41.6099 -15.2608 151.391 -15.2609 56.4264 GPRESSURE: 3482000 -196.297 -126.008 127.974 -131.382 -31.0532 118.643 116.475 -22.7364 51.1898 PRESSAVG: 3482000 -72.7147 32.3922 -7.2758 32.3921 43.0539 -25.5326 -7.27586 -25.5326 -13.999 GPRESSAVG: 3482000 -72.6241 33.3184 -4.40031 30.6792 42.9792 -24.1017 -7.99991 -25.1731 -14.073 TIMING: 3482000 CPU: 10416.8, 0.00305594/step Wall: 10416.8, 0.00305594/step, 1.28859 hours remaining, 207.496094 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: 3482000 735.4510 2063.4391 1928.8073 122.7037 -205795.4395 17643.5176 0.0000 0.0000 34327.1958 -148974.3249 299.7879 -183301.5207 -148881.1218 299.5968 -86.1613 -58.7202 558436.3072 -14.5533 -14.5726 PRESSURE: 3482200 -30.7553 -121.921 -6.90914 -121.922 -172.914 103.978 -6.90931 103.977 40.5616 GPRESSURE: 3482200 -26.1911 -60.1918 8.9995 -157.181 -105.96 81.7789 -32.0409 77.2282 72.4111 PRESSAVG: 3482200 27.9606 46.9873 68.806 46.9874 20.0321 14.0214 68.806 14.0214 -46.1351 GPRESSAVG: 3482200 28.0426 47.7747 67.0124 46.2022 18.5878 13.3709 69.0392 13.8397 -45.2633 TIMING: 3482200 CPU: 10417.4, 0.00305011/step Wall: 10417.4, 0.00305011/step, 1.28596 hours remaining, 207.496094 MB of memory in use. ENERGY: 3482200 748.2636 2132.4770 1952.0859 122.1029 -205857.9432 17673.1900 0.0000 0.0000 34276.8712 -148952.9526 299.3484 -183229.8238 -148858.7008 299.6135 -54.3691 -19.9135 556696.9589 0.6192 0.4557 PRESSURE: 3482400 60.757 120.576 -93.4114 120.576 -195.144 181.775 -93.4119 181.773 -106.195 GPRESSURE: 3482400 85.943 125.544 -132.261 114.631 -92.2069 189.139 -33.0328 184.714 -139.331 PRESSAVG: 3482400 -18.0938 -19.5204 -22.1494 -19.5204 5.84894 71.6309 -22.1494 71.6308 3.20229 GPRESSAVG: 3482400 -18.0281 -19.2175 -23.6119 -19.9222 7.94066 70.5548 -21.3518 71.112 1.3038 TIMING: 3482400 CPU: 10418, 0.00306032/step Wall: 10418, 0.00306032/step, 1.2901 hours remaining, 207.496094 MB of memory in use. ENERGY: 3482400 750.3557 2148.8253 1939.5057 116.0530 -205662.5222 17491.8011 0.0000 0.0000 34233.0423 -148982.9392 298.9657 -183215.9815 -148885.7488 299.9515 -80.1940 -48.5317 557031.6996 -3.0142 -2.9279 PRESSURE: 3482600 -169.33 95.5785 73.3672 95.5791 21.9824 36.2746 73.3667 36.274 -323.403 GPRESSURE: 3482600 -181.175 146.714 51.5821 43.1703 18.6192 44.425 90.7764 46.4804 -218.76 PRESSAVG: 3482600 -41.4502 26.2118 31.5331 26.2118 28.2957 20.3241 31.5332 20.3241 14.874 GPRESSAVG: 3482600 -40.8786 25.4738 33.4957 27.2413 27.8085 19.5565 28.924 21.47 14.8709 TIMING: 3482600 CPU: 10418.6, 0.00304074/step Wall: 10418.6, 0.00304074/step, 1.28167 hours remaining, 207.496094 MB of memory in use. ENERGY: 3482600 777.5077 2159.8246 1945.5738 115.9831 -205770.2527 17467.5168 0.0000 0.0000 34340.4453 -148963.4015 299.9036 -183303.8467 -148862.2417 300.5804 -156.9169 -127.1051 556394.7746 0.5732 0.6002 PRESSURE: 3482800 -289.406 221.939 63.8472 221.939 1.72125 -88.6131 63.8468 -88.6111 -31.1066 GPRESSURE: 3482800 -216.895 219.521 109.591 137.34 2.11911 -122.092 -4.29496 -129.752 -8.61064 PRESSAVG: 3482800 -51.5594 54.2113 51.5146 54.2113 4.57576 -32.8786 51.5146 -32.8786 19.3755 GPRESSAVG: 3482800 -51.9426 54.5496 52.2513 53.2918 5.25189 -32.3641 52.7413 -32.6626 19.4755 TIMING: 3482800 CPU: 10419.3, 0.00302987/step Wall: 10419.3, 0.00302987/step, 1.27692 hours remaining, 207.496094 MB of memory in use. ENERGY: 3482800 733.7335 2084.0612 1959.3905 114.4103 -205629.8950 17428.1096 0.0000 0.0000 34362.2985 -148947.8913 300.0945 -183310.1898 -148847.0180 300.8603 -106.2636 -74.4621 557446.4343 -9.2027 -9.0717 PRESSURE: 3483000 -143.882 -94.7135 33.8831 -94.7139 -16.5347 -44.2043 33.8823 -44.2046 -94.3705 GPRESSURE: 3483000 -81.8793 -37.2517 96.8411 -72.1801 -27.6161 -13.7959 9.05042 -53.3627 -45.6165 PRESSAVG: 3483000 -74.9362 30.5931 0.413382 30.593 32.6674 -0.486871 0.413437 -0.486801 31.4588 GPRESSAVG: 3483000 -74.6969 30.3513 -0.466057 31.4392 31.816 -0.36396 2.53538 0.557798 32.3813 TIMING: 3483000 CPU: 10419.9, 0.00305053/step Wall: 10419.9, 0.00305053/step, 1.28546 hours remaining, 207.496094 MB of memory in use. ENERGY: 3483000 765.8371 2130.6070 1959.2251 120.2781 -205873.0712 17654.9258 0.0000 0.0000 34340.1676 -148902.0306 299.9012 -183242.1982 -148805.5771 300.5515 -84.9289 -51.7040 558654.1592 -3.6033 -3.4999 PRESSURE: 3483200 -144.223 -29.069 198.376 -29.0684 136.471 23.3636 198.376 23.3628 199.002 GPRESSURE: 3483200 -66.1198 -136.26 253.536 25.592 173.094 -9.58446 227.521 1.76854 170.971 PRESSAVG: 3483200 -30.6891 29.88 27.6808 29.88 24.6427 -10.0306 27.6808 -10.0306 -0.339649 GPRESSAVG: 3483200 -30.0789 30.0643 27.1118 29.3886 24.9695 -9.86274 25.6834 -10.839 -1.36804 TIMING: 3483200 CPU: 10420.5, 0.00308374/step Wall: 10420.5, 0.00308374/step, 1.29928 hours remaining, 207.496094 MB of memory in use. ENERGY: 3483200 757.3378 2128.5704 1944.5863 106.5975 -206058.4990 17767.2938 0.0000 0.0000 34594.2143 -148759.8989 302.1199 -183354.1132 -148661.1302 300.2231 63.7500 92.6482 558076.8849 -2.1287 -2.1591 PRESSURE: 3483400 -42.9122 108.319 -22.8222 108.32 86.2148 -85.5493 -22.8229 -85.5486 -77.4773 GPRESSURE: 3483400 15.2514 100.851 41.3724 69.7403 96.7152 -64.169 -100.52 -140.746 -50.8672 PRESSAVG: 3483400 -54.3573 24.1533 33.9478 24.1533 -20.2235 -32.9432 33.9478 -32.9433 86.5244 GPRESSAVG: 3483400 -54.9579 23.2883 36.0129 24.7452 -20.1693 -31.5038 32.9715 -33.9278 86.7132 TIMING: 3483400 CPU: 10421.1, 0.00305464/step Wall: 10421.1, 0.00305464/step, 1.28685 hours remaining, 207.496094 MB of memory in use. ENERGY: 3483400 730.3186 2075.6962 1976.2369 105.0959 -205719.2177 17597.6573 0.0000 0.0000 34393.7930 -148840.4199 300.3695 -183234.2129 -148742.5751 300.6250 -11.3916 20.3665 558382.3966 3.9812 3.8620 PRESSURE: 3483600 -164.35 7.48729 -80.7618 7.48604 -131.942 -100.976 -80.7618 -100.975 43.6958 GPRESSURE: 3483600 -178.671 -13.8601 -39.1984 36.5048 -85.3524 -62.1525 -123.714 -78.9007 107.577 PRESSAVG: 3483600 -6.58062 1.81601 73.9106 1.81598 27.6863 -31.6107 73.9107 -31.6108 -8.19644 GPRESSAVG: 3483600 -7.01474 0.883314 71.1052 2.16938 27.001 -31.2209 75.1391 -29.8557 -7.16638 TIMING: 3483600 CPU: 10421.7, 0.00305217/step Wall: 10421.7, 0.00305217/step, 1.28564 hours remaining, 207.496094 MB of memory in use. ENERGY: 3483600 753.4846 2151.9475 1931.8983 115.8439 -206029.1100 17725.9456 0.0000 0.0000 34342.2039 -149007.7863 299.9190 -183349.9902 -148910.4812 300.0108 -84.1984 -52.1488 558147.0869 4.3031 4.2733 PRESSURE: 3483800 25.2637 163.718 41.6928 163.718 152.245 -12.8158 41.6941 -12.8139 -242.639 GPRESSURE: 3483800 118.215 97.6367 95.2401 201.513 130.455 -15.0915 19.8027 14.8542 -219.681 PRESSAVG: 3483800 66.5514 -1.4312 15.8596 -1.43126 -43.513 -20.072 15.8596 -20.0719 -40.5554 GPRESSAVG: 3483800 66.9119 0.0927368 16.2623 -2.61386 -42.7623 -22.3079 17.3259 -20.6651 -42.049 TIMING: 3483800 CPU: 10422.3, 0.00306322/step Wall: 10422.3, 0.00306322/step, 1.29012 hours remaining, 207.496094 MB of memory in use. ENERGY: 3483800 751.4468 2118.2182 1931.0214 112.0611 -206028.5258 17812.5719 0.0000 0.0000 34381.8510 -148921.3555 300.2653 -183303.2065 -148824.4986 300.6324 -21.7101 9.6630 558026.5939 -5.8390 -5.9665 PRESSURE: 3484000 -15.7221 57.0832 3.14855 57.0827 -127.099 84.1961 3.14614 84.198 -71.3561 GPRESSURE: 3484000 20.7889 29.6411 69.4478 70.2238 -108.892 133.093 -20.8092 88.0275 -37.8955 PRESSAVG: 3484000 -10.0637 -21.0181 35.1047 -21.0182 -35.4359 21.9763 35.1045 21.9764 42.3349 GPRESSAVG: 3484000 -11.5927 -22.0835 38.3367 -18.0214 -36.163 22.0614 31.0017 21.3697 44.9929 TIMING: 3484000 CPU: 10422.9, 0.00303895/step Wall: 10422.9, 0.00303895/step, 1.27973 hours remaining, 207.496094 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: 3484000 743.9154 2134.9945 1955.9371 110.5013 -206129.9958 17781.9737 0.0000 0.0000 34417.4514 -148985.2224 300.5762 -183402.6738 -148877.9671 300.4901 -71.3925 -41.9995 559623.1033 -1.0549 -0.9209 PRESSURE: 3484200 75.4794 -165.85 -47.237 -165.85 203.809 89.0157 -47.2358 89.0149 -121.285 GPRESSURE: 3484200 168.246 -189.05 2.60153 -71.7471 222.771 179.427 -143.53 12.4922 -138.175 PRESSAVG: 3484200 25.1766 -38.5455 -7.5732 -38.5454 9.85789 95.4632 -7.57326 95.4633 -85.3342 GPRESSAVG: 3484200 26.1408 -37.4152 -9.18303 -40.8798 10.1811 97.6942 -6.06704 95.9919 -86.5933 TIMING: 3484200 CPU: 10423.5, 0.00304525/step Wall: 10423.5, 0.00304525/step, 1.28222 hours remaining, 207.496094 MB of memory in use. ENERGY: 3484200 728.0363 2108.1611 1966.1859 126.9844 -206115.0180 18039.4498 0.0000 0.0000 34106.2907 -149039.9099 297.8587 -183146.2006 -148939.9362 299.6961 52.6679 84.2806 558957.2620 -16.7666 -16.7571 LDB: ============= START OF LOAD BALANCING ============== 10427 LDB: ============== END OF LOAD BALANCING =============== 10427 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10427 LDB: ============= START OF LOAD BALANCING ============== 10427.3 LDB: Largest compute 4820 load 0.025325 is 21.4% of average load 0.118163 LDB: Average compute 0.001714 is 1.5% of average load 0.118163 LDB: TIME 10427.3 LOAD: AVG 0.118163 MAX 0.219428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 10427.3 LOAD: AVG 0.118163 MAX 0.219428 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: TIME 10427.3 LOAD: AVG 0.118163 MAX 0.219428 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10427.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10427.3 PRESSURE: 3484400 -82.5524 183.573 -158.134 183.573 -67.499 13.2979 -158.135 13.2954 -329.375 GPRESSURE: 3484400 -20.957 249.871 -105.807 146.14 -67.1221 120.337 -23.7443 -63.8158 -292.784 PRESSAVG: 3484400 -8.63662 -1.17579 9.13638 -1.17585 54.2782 78.552 9.13652 78.5521 -27.533 GPRESSAVG: 3484400 -8.53164 -0.691829 9.27281 0.43086 53.6599 76.743 11.0393 76.7941 -26.8166 TIMING: 3484400 CPU: 10424.1, 0.00308927/step Wall: 10424.1, 0.00308927/step, 1.30058 hours remaining, 206.972656 MB of memory in use. ENERGY: 3484400 788.2702 2058.6579 1954.1863 108.0676 -205578.8267 17470.0713 0.0000 0.0000 34056.2208 -149143.3527 297.4214 -183199.5735 -149045.6165 298.4564 -159.8087 -126.9542 558358.9773 6.0362 6.1039 PRESSURE: 3484600 -325.009 -216.837 5.8509 -216.837 -85.8734 -63.0916 5.85135 -63.0946 169.921 GPRESSURE: 3484600 -262.959 -178.469 -92.4696 -288.732 -39.8356 -92.9287 54.381 -35.2503 161.493 PRESSAVG: 3484600 -74.7741 -70.2149 -8.62113 -70.2148 64.3819 11.3334 -8.6211 11.3333 -18.6018 GPRESSAVG: 3484600 -73.6256 -71.7552 -8.80805 -70.7358 64.788 13.6779 -8.07296 11.5 -19.5485 TIMING: 3484600 CPU: 10424.8, 0.00303711/step Wall: 10424.8, 0.00303711/step, 1.27845 hours remaining, 207.042969 MB of memory in use. ENERGY: 3484600 741.0292 2109.2530 1942.7120 114.1542 -205890.3259 17640.8834 0.0000 0.0000 34206.5510 -149135.7431 298.7343 -183342.2940 -149032.2768 298.9107 -80.3204 -47.1005 559627.0071 -9.6647 -9.4620 PRESSURE: 3484800 146.624 88.6096 -129.07 88.6086 374.049 -53.6262 -129.07 -53.6279 155.384 GPRESSURE: 3484800 209.368 167.911 -117.228 63.3561 382.778 -138.453 -121.132 24.0203 166.778 PRESSAVG: 3484800 27.0043 -9.33639 42.919 -9.33637 8.65855 -18.0208 42.919 -18.0208 -24.1362 GPRESSAVG: 3484800 25.1599 -7.98198 44.19 -9.93215 9.33265 -18.6771 40.997 -18.4908 -23.0096 TIMING: 3484800 CPU: 10425.4, 0.00302093/step Wall: 10425.4, 0.00302093/step, 1.27148 hours remaining, 207.042969 MB of memory in use. ENERGY: 3484800 732.1464 2057.1082 1964.9729 114.0476 -206516.1152 18256.1402 0.0000 0.0000 34167.0608 -149224.6391 298.3894 -183391.6999 -149125.6189 299.3329 225.3524 252.9746 559184.4031 3.8422 3.8277 PRESSURE: 3485000 7.40161 -70.9292 -42.9899 -70.9285 -52.4478 -166.147 -42.9898 -166.147 -202.654 GPRESSURE: 3485000 53.2887 -87.9981 -99.5577 -21.214 -49.4721 -174.021 59.3941 -178.744 -157.101 PRESSAVG: 3485000 17.8338 -25.2832 7.03008 -25.2832 28.7693 -21.581 7.02999 -21.581 -62.2383 GPRESSAVG: 3485000 17.8526 -25.7535 6.3097 -24.5287 28.8864 -22.5812 7.6317 -18.5381 -63.0875 TIMING: 3485000 CPU: 10426, 0.00301696/step Wall: 10426, 0.00301696/step, 1.26964 hours remaining, 207.042969 MB of memory in use. ENERGY: 3485000 744.7091 2134.6701 1947.3770 114.6403 -206460.1225 17818.4682 0.0000 0.0000 34324.9322 -149375.3257 299.7682 -183700.2580 -149276.0814 298.8570 -82.5667 -51.0949 558247.6986 -5.2117 -5.4495 PRESSURE: 3485200 81.374 -56.8164 37.7429 -56.8159 -77.3091 -29.3616 37.7425 -29.3628 65.9011 GPRESSURE: 3485200 118.247 -51.758 -4.03745 -21.4519 -46.0006 -33.3124 4.0062 -61.185 87.5832 PRESSAVG: 3485200 13.4044 14.0911 36.3767 14.0911 31.8008 13.4953 36.3767 13.4952 -36.5829 GPRESSAVG: 3485200 13.4491 13.6722 36.1425 13.9545 32.0119 13.0396 37.2378 11.4003 -36.5413 TIMING: 3485200 CPU: 10426.6, 0.00299749/step Wall: 10426.6, 0.00299749/step, 1.26128 hours remaining, 207.042969 MB of memory in use. ENERGY: 3485200 737.2578 2058.7751 1953.6516 112.0376 -206369.5219 17922.6318 0.0000 0.0000 34224.9005 -149360.2674 298.8946 -183585.1679 -149265.5406 299.7107 23.3220 53.2766 559052.9999 2.8741 2.9732 PRESSURE: 3485400 59.8947 -77.2615 -63.8679 -77.2613 -158.68 -36.2541 -63.8668 -36.2545 -302.827 GPRESSURE: 3485400 80.586 -123.101 -62.7304 -18.5905 -133.038 -19.5776 -6.44838 47.6151 -261.548 PRESSAVG: 3485400 24.0804 12.1256 28.9786 12.1256 -7.25704 -26.6987 28.9787 -26.6987 -88.5476 GPRESSAVG: 3485400 24.7031 11.5577 28.0842 11.7369 -7.41275 -24.7298 28.851 -27.5882 -89.4569 TIMING: 3485400 CPU: 10427.2, 0.00303728/step Wall: 10427.2, 0.00303728/step, 1.27785 hours remaining, 207.042969 MB of memory in use. ENERGY: 3485400 774.4668 2107.6299 1931.4089 110.4934 -206224.4567 17691.4261 0.0000 0.0000 34341.1541 -149267.8775 299.9098 -183609.0316 -149164.7126 298.4813 -133.8708 -104.6665 556468.3738 -23.9081 -24.0555 PRESSURE: 3485600 -310.199 38.3807 -133.47 38.38 87.3688 138.276 -133.471 138.275 38.7212 GPRESSURE: 3485600 -270.367 19.5265 -169.844 13.1387 111.754 104.249 -96.6387 226.531 80.6109 PRESSAVG: 3485600 30.7243 -15.2365 0.62488 -15.2365 -15.2639 61.2772 0.624723 61.2771 -3.08673 GPRESSAVG: 3485600 29.9021 -14.876 -1.04857 -16.4844 -15.542 60.0546 2.40182 62.5645 -2.09957 TIMING: 3485600 CPU: 10427.8, 0.00305394/step Wall: 10427.8, 0.00305394/step, 1.28469 hours remaining, 207.042969 MB of memory in use. ENERGY: 3485600 790.3439 2097.1091 1958.8376 128.4474 -205798.0938 17634.2163 0.0000 0.0000 34024.7624 -149164.3771 297.1467 -183189.1395 -149069.0957 298.8079 -61.3696 -26.0005 558208.1614 4.1246 4.0869 PRESSURE: 3485800 29.0726 -26.6449 2.09921 -26.6465 111.721 134.661 2.09743 134.662 68.1466 GPRESSURE: 3485800 113.136 -18.6567 -40.4377 18.0407 67.0568 117.306 -32.3877 127.731 130.638 PRESSAVG: 3485800 -73.0616 -61.097 27.6034 -61.097 31.397 21.0463 27.6034 21.0462 15.6847 GPRESSAVG: 3485800 -71.6387 -60.0713 29.3585 -60.5016 31.056 21.0798 25.2401 20.5081 13.9695 TIMING: 3485800 CPU: 10428.4, 0.0030984/step Wall: 10428.4, 0.0030984/step, 1.30322 hours remaining, 207.042969 MB of memory in use. ENERGY: 3485800 728.2244 2115.1915 1948.1860 115.5415 -206203.5037 17787.6395 0.0000 0.0000 34231.0234 -149277.6975 298.9480 -183508.7209 -149183.1212 298.8776 69.6466 103.6102 557099.6511 -8.6600 -8.8710 PRESSURE: 3486000 207.602 8.96242 -76.1951 8.96282 130.001 82.2901 -76.1945 82.2893 12.9338 GPRESSURE: 3486000 212.575 9.38753 -14.802 -3.87163 177.797 113.789 -92.1013 115.577 53.732 PRESSAVG: 3486000 -25.2554 -63.3233 -8.66947 -63.3234 -40.9896 -39.9211 -8.66948 -39.9211 26.2094 GPRESSAVG: 3486000 -26.042 -63.0346 -8.11264 -64.1746 -40.65 -37.7767 -7.83823 -42.7007 26.9175 TIMING: 3486000 CPU: 10429, 0.00305586/step Wall: 10429, 0.00305586/step, 1.28516 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: 3486000 743.8799 2081.9982 1959.8440 122.8896 -206682.3274 18010.3743 0.0000 0.0000 34357.1337 -149406.2077 300.0494 -183763.3415 -149307.6964 298.5670 116.8454 148.0345 557306.6680 -13.3452 -13.2582 PRESSURE: 3486200 350.139 69.0825 -101.659 69.0826 -82.6437 -173.317 -101.658 -173.318 -24.7964 GPRESSURE: 3486200 368.656 13.9429 -51.7667 95.8011 -24.0969 -213.747 -81.1941 -185.285 -12.4256 PRESSAVG: 3486200 26.4049 -36.0405 26.6557 -36.0404 15.5477 0.98504 26.6556 0.985087 -0.742038 GPRESSAVG: 3486200 25.5497 -36.5636 26.5273 -34.722 16.8489 -0.394884 26.6196 4.07687 -0.563585 TIMING: 3486200 CPU: 10429.6, 0.00305324/step Wall: 10429.6, 0.00305324/step, 1.28389 hours remaining, 207.042969 MB of memory in use. ENERGY: 3486200 707.3122 2081.0320 1957.9729 118.7574 -206138.5347 17781.2563 0.0000 0.0000 34021.8884 -149470.3156 297.1216 -183492.2039 -149372.9156 299.2029 80.8997 110.7113 556956.5574 13.7368 13.9450 PRESSURE: 3486400 -26.5939 -276.63 196.86 -276.629 233.463 -5.42201 196.86 -5.42126 -218.923 GPRESSURE: 3486400 11.007 -200.764 49.2998 -280.319 263.516 -105.788 272.902 70.598 -182.599 PRESSAVG: 3486400 -59.1767 -75.5614 -86.6839 -75.5614 46.2684 20.2752 -86.6839 20.2752 -11.9788 GPRESSAVG: 3486400 -59.3871 -74.8049 -86.7165 -75.5954 44.5507 20.7265 -87.8588 20.418 -11.0046 TIMING: 3486400 CPU: 10430.2, 0.00304569/step Wall: 10430.2, 0.00304569/step, 1.28054 hours remaining, 207.042969 MB of memory in use. ENERGY: 3486400 738.7243 2131.0398 1963.0271 116.9281 -206675.6874 17901.7570 0.0000 0.0000 34429.0416 -149395.1694 300.6774 -183824.2110 -149297.6857 299.3307 -4.0177 30.6415 557644.4253 -8.2957 -8.6137 PRESSURE: 3486600 121.913 -38.586 -20.6619 -38.5864 4.17864 0.797117 -20.663 0.797437 110.943 GPRESSURE: 3486600 127.687 -172.176 -42.0888 25.8904 57.3785 50.1587 -53.1795 56.1138 151.834 PRESSAVG: 3486600 -33.0065 -40.1828 14.4388 -40.1828 44.6245 22.9536 14.4387 22.9536 -14.5121 GPRESSAVG: 3486600 -31.6842 -40.7127 13.4621 -39.452 44.5041 23.1318 15.7717 23.7655 -16.0144 TIMING: 3486600 CPU: 10430.8, 0.00304681/step Wall: 10430.8, 0.00304681/step, 1.28084 hours remaining, 207.042969 MB of memory in use. ENERGY: 3486600 697.5253 2043.2899 1910.8721 113.5647 -206124.2830 17783.5415 0.0000 0.0000 34048.0246 -149527.4648 297.3499 -183575.4894 -149428.1696 298.5127 79.0114 112.3000 557881.2445 -0.9647 -1.0648 PRESSURE: 3486800 -115.684 65.1552 30.2946 65.155 28.3274 -3.15378 30.2941 -3.15158 -79.9006 GPRESSURE: 3486800 -51.8137 43.735 13.3113 26.1716 77.2616 36.3006 90.7759 -102.746 -105.847 PRESSAVG: 3486800 -7.94568 -56.6692 33.1499 -56.6692 4.92938 2.35901 33.1499 2.35906 25.2116 GPRESSAVG: 3486800 -8.75724 -58.047 36.3837 -56.3071 3.59552 2.76026 32.4365 1.32886 26.7966 TIMING: 3486800 CPU: 10431.4, 0.00302401/step Wall: 10431.4, 0.00302401/step, 1.27109 hours remaining, 207.042969 MB of memory in use. ENERGY: 3486800 778.5436 2135.5582 1938.3311 111.0240 -206739.1470 17983.5538 0.0000 0.0000 34169.0006 -149623.1356 298.4064 -183792.1362 -149538.5052 298.1561 -55.7525 -26.7996 558204.5190 7.3984 7.2116 PRESSURE: 3487000 85.1596 -25.0064 -96.6784 -25.0059 60.223 10.2765 -96.6794 10.2756 107.597 GPRESSURE: 3487000 118.031 -102.942 -94.4761 -64.1756 65.5016 -48.0884 -57.1856 -38.4626 175.577 PRESSAVG: 3487000 -53.7104 17.7703 -4.21557 17.7703 58.3337 0.969763 -4.2155 0.969608 -8.14583 GPRESSAVG: 3487000 -53.314 19.9371 -5.24057 16.2135 59.2282 -1.36739 -5.30647 1.19283 -9.78223 TIMING: 3487000 CPU: 10432, 0.00301551/step Wall: 10432, 0.00301551/step, 1.26735 hours remaining, 207.042969 MB of memory in use. ENERGY: 3487000 760.6868 2059.6520 1928.4999 107.6487 -206767.3754 18101.5275 0.0000 0.0000 34138.0498 -149671.3107 298.1361 -183809.3605 -149574.1761 298.0858 84.3265 119.7030 557200.5325 -1.1742 -1.2894 PRESSURE: 3487200 -90.818 -204.768 -137.937 -204.769 243.86 46.4685 -137.936 46.4687 353.342 GPRESSURE: 3487200 -17.0772 -79.1879 -188.037 -273.516 273.613 58.6228 -117.196 12.794 338.764 PRESSAVG: 3487200 -56.5322 2.47255 27.373 2.47257 -29.7992 -0.793753 27.3729 -0.793807 60.7677 GPRESSAVG: 3487200 -55.3772 1.5751 27.3711 2.90376 -30.5304 0.860902 26.6114 -0.844699 60.6624 TIMING: 3487200 CPU: 10432.7, 0.00304238/step Wall: 10432.7, 0.00304238/step, 1.27848 hours remaining, 207.042969 MB of memory in use. ENERGY: 3487200 713.1025 2089.1236 1937.2388 117.2477 -206781.5296 18095.8734 0.0000 0.0000 34040.5134 -149788.4303 297.2843 -183828.9437 -149697.0681 297.4789 168.7947 198.4333 558015.7810 -8.5213 -8.4151 PRESSURE: 3487400 -149.715 -14.6304 45.1082 -14.6295 7.93195 76.5765 45.1072 76.5758 65.8095 GPRESSURE: 3487400 -134.415 -0.0626923 74.6068 -41.9831 50.7627 108.315 59.5082 13.7829 97.543 PRESSAVG: 3487400 -10.6436 3.70844 26.5742 3.70843 -47.3322 47.3408 26.5742 47.3409 35.692 GPRESSAVG: 3487400 -11.9869 5.10473 26.1369 3.99341 -47.4488 47.7198 30.2307 46.9205 36.7074 TIMING: 3487400 CPU: 10433.3, 0.00302541/step Wall: 10433.3, 0.00302541/step, 1.27118 hours remaining, 207.042969 MB of memory in use. ENERGY: 3487400 752.5644 2015.5894 1906.5903 119.4285 -206427.4206 17944.2439 0.0000 0.0000 33954.2301 -149734.7740 296.5307 -183689.0041 -149641.1733 296.9026 -25.3246 4.6302 558875.8315 -7.4279 -7.5761 PRESSURE: 3487600 -11.3619 -26.1783 -11.4411 -26.1784 96.7993 60.0506 -11.442 60.0511 93.5436 GPRESSURE: 3487600 55.3347 -79.2178 -17.9789 -0.490043 183.005 33.5039 -42.194 69.0865 39.2811 PRESSAVG: 3487600 -2.23808 55.5872 -9.62282 55.5872 -22.8739 49.7176 -9.62286 49.7176 4.2475 GPRESSAVG: 3487600 -2.35719 54.8302 -10.1089 55.1318 -22.5178 49.0436 -13.2888 52.5529 4.27442 TIMING: 3487600 CPU: 10433.9, 0.00303631/step Wall: 10433.9, 0.00303631/step, 1.27559 hours remaining, 207.042969 MB of memory in use. ENERGY: 3487600 769.2197 2028.5926 1916.1085 108.8960 -206628.8502 18071.6651 0.0000 0.0000 34208.2191 -149526.1491 298.7489 -183734.3682 -149424.1258 297.2807 59.6603 92.5402 558091.9064 -6.9548 -6.8669 PRESSURE: 3487800 85.4632 -77.7964 45.7371 -77.7969 197.43 -0.365273 45.7374 -0.366134 -177.401 GPRESSURE: 3487800 139.727 -77.6827 5.00255 -22.3376 195.165 24.0995 51.4746 17.0853 -141.246 PRESSAVG: 3487800 10.9758 10.5208 7.64902 10.5208 36.3665 36.9598 7.64903 36.9598 -63.1026 GPRESSAVG: 3487800 11.5175 10.0086 7.3991 12.4457 36.7359 37.528 8.00138 34.1192 -63.8123 TIMING: 3487800 CPU: 10434.5, 0.00300922/step Wall: 10434.5, 0.00300922/step, 1.26404 hours remaining, 207.042969 MB of memory in use. ENERGY: 3487800 760.5352 2060.0091 1923.3050 109.0746 -206238.5977 17954.9405 0.0000 0.0000 34187.9979 -149242.7355 298.5723 -183430.7334 -149145.8690 298.3718 35.1639 64.5489 558199.7429 -5.2534 -5.1863 PRESSURE: 3488000 57.5481 201.488 98.4345 201.488 108.038 150.807 98.4337 150.806 -130.124 GPRESSURE: 3488000 117.105 130.114 50.3208 134.91 176.093 172.75 112.987 171.205 -157.581 PRESSAVG: 3488000 34.6414 37.3374 4.41513 37.3374 36.974 -5.93599 4.41501 -5.93598 -48.9131 GPRESSAVG: 3488000 34.1129 36.7618 4.44722 34.9906 37.2378 -6.21975 5.33963 -4.38103 -48.0969 TIMING: 3488000 CPU: 10435.1, 0.00303381/step Wall: 10435.1, 0.00303381/step, 1.2742 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: 3488000 759.1622 2073.8721 1907.2028 105.6493 -206385.1455 17904.4161 0.0000 0.0000 34283.2371 -149351.6059 299.4040 -183634.8430 -149258.2532 298.0223 11.8207 45.2056 557329.6315 7.5674 7.7512 PRESSURE: 3488200 -129.382 -43.5454 81.5424 -43.5461 36.294 110.465 81.542 110.464 -75.8462 GPRESSURE: 3488200 -95.335 -44.9572 55.4292 -87.168 77.4005 123.062 140.009 104.448 -54.9527 PRESSAVG: 3488200 29.0225 20.1649 38.3471 20.165 75.6629 46.8367 38.3471 46.8368 -98.3389 GPRESSAVG: 3488200 28.8494 18.8213 39.1066 22.2596 76.1517 45.2916 36.5253 46.0841 -98.3872 TIMING: 3488200 CPU: 10435.7, 0.00305108/step Wall: 10435.7, 0.00305108/step, 1.28128 hours remaining, 207.042969 MB of memory in use. ENERGY: 3488200 744.8152 2042.4143 1932.9452 108.2914 -206268.3404 17792.6451 0.0000 0.0000 33971.2545 -149675.9746 296.6794 -183647.2292 -149578.2430 297.5790 -56.3114 -24.2958 557128.6708 2.1155 2.2046 LDB: ============= START OF LOAD BALANCING ============== 10439.1 LDB: ============== END OF LOAD BALANCING =============== 10439.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10439.1 LDB: ============= START OF LOAD BALANCING ============== 10439.4 LDB: Largest compute 4820 load 0.024238 is 20.5% of average load 0.118126 LDB: Average compute 0.001716 is 1.5% of average load 0.118126 LDB: TIME 10439.4 LOAD: AVG 0.118126 MAX 0.225138 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 10439.4 LOAD: AVG 0.118126 MAX 0.225138 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 10439.4 LOAD: AVG 0.118126 MAX 0.225138 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10439.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10439.4 PRESSURE: 3488400 -112.38 -13.2349 -56.1609 -13.2353 -57.3642 2.71137 -56.161 2.71164 -45.9065 GPRESSURE: 3488400 -84.0263 10.8705 -27.1144 -54.3891 -19.5828 -30.6831 -129.064 35.8812 -10.2445 PRESSAVG: 3488400 -72.4008 2.09326 17.3322 2.09323 94.3361 5.76612 17.3323 5.76607 -18.5293 GPRESSAVG: 3488400 -72.4338 3.23263 18.5476 2.35807 93.6111 6.67439 18.9681 6.97041 -18.003 TIMING: 3488400 CPU: 10436.3, 0.00311875/step Wall: 10436.3, 0.00311875/step, 1.30953 hours remaining, 206.839844 MB of memory in use. ENERGY: 3488400 729.5008 2096.4045 1909.2905 119.4109 -206552.4123 17805.6646 0.0000 0.0000 34112.1131 -149780.0278 297.9096 -183892.1410 -149680.6260 297.2799 -71.8836 -37.9512 557385.7743 1.1353 1.0581 PRESSURE: 3488600 -94.0328 -170.965 79.8434 -170.964 -417.026 -86.7933 79.8442 -86.791 -390.069 GPRESSURE: 3488600 -35.5772 -151.424 57.2149 -205.936 -404.001 -36.207 85.232 20.7803 -375.952 PRESSAVG: 3488600 25.6952 30.89 33.866 30.89 24.4063 -11.9766 33.8661 -11.9766 -93.8786 GPRESSAVG: 3488600 25.7728 31.9662 32.5613 29.8175 24.8263 -12.9345 34.2179 -10.9459 -94.1941 TIMING: 3488600 CPU: 10436.9, 0.00304999/step Wall: 10436.9, 0.00304999/step, 1.28049 hours remaining, 206.839844 MB of memory in use. ENERGY: 3488600 769.2583 2110.6931 1916.5455 114.7703 -206252.7005 17458.7528 0.0000 0.0000 34187.8679 -149694.8127 298.5712 -183882.6806 -149583.6484 297.7835 -300.3759 -271.8435 557031.6496 -14.5924 -14.5316 PRESSURE: 3488800 -291.713 72.487 166.446 72.4874 -93.5992 19.31 166.446 19.3102 -208.18 GPRESSURE: 3488800 -258.076 119.404 144.309 29.7248 -91.1433 17.5053 205.712 -10.1164 -158.9 PRESSAVG: 3488800 19.3201 -32.5032 63.4063 -32.5032 12.2452 10.818 63.4063 10.818 -36.1723 GPRESSAVG: 3488800 18.9915 -34.2216 62.7508 -33.0104 13.1272 10.7043 62.0351 6.04952 -37.2645 TIMING: 3488800 CPU: 10437.5, 0.00306479/step Wall: 10437.5, 0.00306479/step, 1.28653 hours remaining, 206.839844 MB of memory in use. ENERGY: 3488800 741.6855 2141.1271 1921.8340 106.2103 -206072.3415 17450.0506 0.0000 0.0000 34092.9526 -149618.4813 297.7422 -183711.4339 -149522.0828 298.4900 -197.8309 -169.3729 557294.7641 -1.5357 -1.7153 PRESSURE: 3489000 117.429 -78.3883 -177.966 -78.3877 115.778 165.568 -177.966 165.569 6.03807 GPRESSURE: 3489000 150.063 -100.393 -186.588 -53.1923 208.175 205.363 -149.454 214.011 -17.1642 PRESSAVG: 3489000 -13.1349 40.9268 16.9047 40.9268 -10.9595 29.5543 16.9046 29.5543 -0.425344 GPRESSAVG: 3489000 -13.0015 41.7431 18.7386 41.4361 -11.649 30.2642 18.5234 32.7137 -0.158208 TIMING: 3489000 CPU: 10438.1, 0.00304066/step Wall: 10438.1, 0.00304066/step, 1.27623 hours remaining, 206.839844 MB of memory in use. ENERGY: 3489000 708.9001 2097.8194 1919.3259 103.6684 -206311.2473 17851.4785 0.0000 0.0000 34138.2833 -149491.7716 298.1381 -183630.0549 -149388.8910 297.6980 79.7483 113.6915 556974.6960 -8.1732 -8.2696 PRESSURE: 3489200 -115.386 -44.217 133.564 -44.2174 -145.173 20.146 133.564 20.1471 131.926 GPRESSURE: 3489200 -130.954 -70.5456 187.499 23.0298 -70.5899 -39.1308 61.9991 75.3789 174.794 PRESSAVG: 3489200 -76.2224 67.8847 11.9246 67.8846 -22.6143 -14.1393 11.9247 -14.1392 25.0598 GPRESSAVG: 3489200 -76.1571 68.3534 9.37306 66.8631 -23.0762 -13.4379 12.3944 -16.6874 25.5486 TIMING: 3489200 CPU: 10438.7, 0.00302868/step Wall: 10438.7, 0.00302868/step, 1.27104 hours remaining, 206.839844 MB of memory in use. ENERGY: 3489200 758.3484 2101.0999 1941.2946 115.9419 -206165.6564 17632.2215 0.0000 0.0000 34111.6583 -149505.0918 297.9056 -183616.7501 -149416.3789 298.6639 -42.8779 -8.9167 556688.5375 -24.5923 -24.5615 PRESSURE: 3489400 -183.068 87.3657 76.7795 87.3666 -81.6447 -104.033 76.7789 -104.033 -125.155 GPRESSURE: 3489400 -137.661 31.7609 -7.07917 148.128 -12.2444 -110.277 58.8886 -183.732 -157.209 PRESSAVG: 3489400 16.8215 26.1998 21.47 26.1998 -0.80863 39.1343 21.47 39.1343 -29.7778 GPRESSAVG: 3489400 14.325 23.5909 20.8515 29.0075 -0.22297 38.199 20.8203 41.369 -28.3061 TIMING: 3489400 CPU: 10439.4, 0.00302817/step Wall: 10439.4, 0.00302817/step, 1.27065 hours remaining, 206.839844 MB of memory in use. ENERGY: 3489400 742.4321 2075.6386 1933.0284 120.4184 -205953.1822 17538.0136 0.0000 0.0000 34083.7932 -149459.8578 297.6622 -183543.6511 -149368.0534 298.8888 -129.9556 -102.3712 557734.1737 -4.5883 -4.7347 PRESSURE: 3489600 -5.36289 -141.126 -149.053 -141.126 -173.793 -16.5738 -149.053 -16.5733 -332.884 GPRESSURE: 3489600 -32.2396 -113.446 -189.893 -20.8813 -140.925 -28.6081 -182.805 -22.292 -238.232 PRESSAVG: 3489600 -15.4716 13.9741 -6.8999 13.9741 79.4365 22.0962 -6.89986 22.0962 -32.1628 GPRESSAVG: 3489600 -13.1584 15.761 -6.98526 11.8003 79.1237 22.1234 -7.25715 21.6825 -33.7688 TIMING: 3489600 CPU: 10440, 0.00302887/step Wall: 10440, 0.00302887/step, 1.27078 hours remaining, 206.839844 MB of memory in use. ENERGY: 3489600 742.5633 2035.6040 1934.7574 115.5952 -205951.2021 17531.9165 0.0000 0.0000 34225.6929 -149365.0728 298.9015 -183590.7657 -149266.9011 298.8229 -170.6798 -137.1323 558608.9368 10.6007 10.7322 PRESSURE: 3489800 -284.246 -47.856 -38.657 -47.8572 21.8801 -70.9438 -38.6569 -70.9456 -154.529 GPRESSURE: 3489800 -240.121 -38.1439 7.14508 -98.5015 43.3199 -45.3889 -53.2326 -0.922465 -112.39 PRESSAVG: 3489800 -18.4676 -32.391 28.5528 -32.391 -10.2726 10.8321 28.5527 10.832 2.75074 GPRESSAVG: 3489800 -18.3453 -31.0271 29.3345 -33.6689 -10.557 13.8888 29.2666 9.86621 2.61429 TIMING: 3489800 CPU: 10440.6, 0.00301382/step Wall: 10440.6, 0.00301382/step, 1.2643 hours remaining, 206.839844 MB of memory in use. ENERGY: 3489800 761.2501 2057.4703 1954.3064 114.5835 -205872.9630 17634.7727 0.0000 0.0000 33974.9200 -149375.6600 296.7114 -183350.5800 -149283.2556 299.3830 -138.9649 -103.0636 557741.4123 -8.6632 -8.7627 PRESSURE: 3490000 113.026 -123.572 179.412 -123.573 -295.237 41.0888 179.414 41.09 -127.599 GPRESSURE: 3490000 106.984 -138.039 147.634 -137.25 -251.625 66.9958 195.144 -33.5725 -85.4867 PRESSAVG: 3490000 48.6773 -7.25809 16.7429 -7.25818 -52.2019 26.5443 16.7427 26.5443 -17.3802 GPRESSAVG: 3490000 48.6196 -8.4835 16.7719 -5.74289 -52.4539 24.4594 14.4479 26.5328 -17.1395 TIMING: 3490000 CPU: 10441.2, 0.00305385/step Wall: 10441.2, 0.00305385/step, 1.28092 hours remaining, 206.839844 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: 3490000 759.4157 2020.7324 1932.2612 118.9408 -206332.7117 17766.6314 0.0000 0.0000 34317.1552 -149417.5750 299.7003 -183734.7302 -149316.2613 298.7929 -103.2699 -76.7091 557486.8941 -6.9683 -6.9913 PRESSURE: 3490200 -5.61426 -11.9676 44.2563 -11.9688 -277.591 -148.424 44.2568 -148.424 -93.5979 GPRESSURE: 3490200 30.4195 -2.27929 87.8686 -74.9039 -219.082 -132.68 -33.3672 -176.757 -98.5653 PRESSAVG: 3490200 57.4281 63.0537 27.6433 63.0536 -56.8252 13.9538 27.6433 13.9538 19.355 GPRESSAVG: 3490200 56.219 62.9501 28.6308 63.738 -56.4378 15.8038 29.2156 14.2185 19.9858 TIMING: 3490200 CPU: 10441.8, 0.00306538/step Wall: 10441.8, 0.00306538/step, 1.28559 hours remaining, 206.839844 MB of memory in use. ENERGY: 3490200 756.1244 2100.6522 1919.6790 118.4745 -205833.9614 17506.1785 0.0000 0.0000 34187.4044 -149245.4485 298.5671 -183432.8529 -149161.1834 298.4845 -125.6009 -95.7426 557795.8096 6.6526 6.5890 PRESSURE: 3490400 -95.3497 108.488 -155.028 108.488 -168.988 -41.895 -155.027 -41.8942 -268.587 GPRESSURE: 3490400 -45.0675 70.2367 -240.257 54.2179 -178.644 -52.1597 -36.0026 -143.615 -216.885 PRESSAVG: 3490400 25.6305 -1.34519 32.8741 -1.34522 36.7619 5.68997 32.874 5.68987 -18.9221 GPRESSAVG: 3490400 26.0884 -3.0543 33.3585 -0.486741 36.2572 5.23621 32.9726 4.11481 -19.3916 TIMING: 3490400 CPU: 10442.4, 0.00305717/step Wall: 10442.4, 0.00305717/step, 1.28198 hours remaining, 206.839844 MB of memory in use. ENERGY: 3490400 743.9034 2097.9592 1936.4167 110.1859 -205786.1623 17569.9125 0.0000 0.0000 34162.0680 -149165.7166 298.3458 -183327.7846 -149074.2910 298.6622 -177.6416 -146.8655 557905.7916 14.4901 14.3180 PRESSURE: 3490600 -326.465 -23.0396 20.5808 -23.0388 90.9213 1.43189 20.5833 1.43351 84.5505 GPRESSURE: 3490600 -319.11 -15.1029 53.9682 -36.0428 115.26 -63.2811 74.2856 -64.3328 143.35 PRESSAVG: 3490600 19.9344 -0.171304 22.3084 -0.17124 -23.5388 -7.9577 22.3084 -7.95777 22.9202 GPRESSAVG: 3490600 18.4519 2.09163 20.1699 -1.71633 -21.9832 -8.68903 22.8639 -6.87906 22.8552 TIMING: 3490600 CPU: 10443, 0.00307075/step Wall: 10443, 0.00307075/step, 1.2875 hours remaining, 206.839844 MB of memory in use. ENERGY: 3490600 753.7618 2045.5676 1957.2385 106.4050 -206077.4671 17618.9095 0.0000 0.0000 34285.8220 -149309.7628 299.4266 -183595.5848 -149215.4549 298.6390 -50.3310 -20.1668 557473.7690 6.4386 6.4413 PRESSURE: 3490800 81.285 -34.9725 -106.128 -34.9717 278.549 -78.6212 -106.128 -78.6193 46.6389 GPRESSURE: 3490800 117.959 0.199216 -112.901 -23.232 335.863 -100.858 -43.7939 -88.0229 54.6939 PRESSAVG: 3490800 -21.0184 12.016 -23.9039 12.0159 52.8706 -7.67797 -23.9039 -7.6781 74.3092 GPRESSAVG: 3490800 -19.9075 9.43087 -21.0559 12.8381 51.2312 -8.14508 -24.7066 -6.62722 75.0761 TIMING: 3490800 CPU: 10443.6, 0.0030704/step Wall: 10443.6, 0.0030704/step, 1.28718 hours remaining, 206.839844 MB of memory in use. ENERGY: 3490800 746.3796 2067.2931 1948.5776 115.3509 -206420.5076 17998.3343 0.0000 0.0000 34436.0808 -149108.4913 300.7389 -183544.5721 -149018.2001 299.1546 135.4911 169.5053 556363.0606 35.3871 35.4666 PRESSURE: 3491000 32.7761 -55.3297 48.285 -55.3295 -373.224 53.9908 48.2839 53.9878 125.359 GPRESSURE: 3491000 50.7871 -37.6437 -31.5012 -58.5979 -310.594 56.7772 133.332 87.4555 147.7 PRESSAVG: 3491000 -63.91 -28.9242 0.15289 -28.924 -23.0007 74.7226 0.152923 74.7226 51.8881 GPRESSAVG: 3491000 -63.0952 -26.1437 -1.7586 -31.398 -23.2816 74.4709 -1.00888 74.4524 51.2091 TIMING: 3491000 CPU: 10444.2, 0.0030417/step Wall: 10444.2, 0.0030417/step, 1.27498 hours remaining, 206.839844 MB of memory in use. ENERGY: 3491000 760.2718 2064.0159 1966.0977 107.8018 -205670.5577 17488.9610 0.0000 0.0000 34239.5120 -149043.8975 299.0222 -183283.4095 -148950.0715 299.5685 -71.6964 -37.3688 557236.5668 -11.6742 -11.7226 PRESSURE: 3491200 -218.465 17.8324 -127.629 17.8322 49.0478 84.6449 -127.628 84.6451 -91.6785 GPRESSURE: 3491200 -228.929 29.4757 -73.1024 -39.3563 41.7329 74.6761 -124.051 87.4312 16.3305 PRESSAVG: 3491200 -22.7458 4.05525 15.4691 4.05521 -11.5244 31.8637 15.4692 31.8637 4.19271 GPRESSAVG: 3491200 -22.8571 4.05101 15.6216 7.28906 -11.1449 33.2743 17.2332 30.1664 3.81786 TIMING: 3491200 CPU: 10444.8, 0.00307262/step Wall: 10444.8, 0.00307262/step, 1.28777 hours remaining, 206.839844 MB of memory in use. ENERGY: 3491200 729.9663 2110.5234 1945.2741 110.8881 -205869.1200 17706.5457 0.0000 0.0000 34192.4532 -149073.4692 298.6112 -183265.9224 -148976.4990 299.4879 -87.0319 -56.9551 558252.0292 -10.0258 -10.0614 PRESSURE: 3491400 -214.43 29.8109 -72.8217 29.8108 -9.63529 22.943 -72.8231 22.9425 43.2767 GPRESSURE: 3491400 -127.688 -26.9471 -125.8 37.9139 12.9294 84.1667 31.7703 -25.0024 17.8088 PRESSAVG: 3491400 -70.792 44.0678 42.019 44.0678 9.78996 37.0101 42.019 37.0103 30.7348 GPRESSAVG: 3491400 -71.1847 43.7143 42.3568 40.616 9.39694 36.8806 41.2102 36.8992 31.011 TIMING: 3491400 CPU: 10445.5, 0.00305364/step Wall: 10445.5, 0.00305364/step, 1.27964 hours remaining, 206.839844 MB of memory in use. ENERGY: 3491400 731.2986 2116.3366 1951.1603 123.3052 -206253.4268 17896.4446 0.0000 0.0000 34545.1470 -148889.7345 301.6914 -183434.8815 -148791.6386 300.0828 -60.2629 -32.3168 558507.9759 -10.0891 -10.2589 PRESSURE: 3491600 -98.7705 108.573 -126.563 108.572 232.624 -32.8436 -126.565 -32.844 205.791 GPRESSURE: 3491600 -27.6378 183.434 -160.383 59.094 218.858 -36.7544 -179.721 52.0931 225.744 PRESSAVG: 3491600 14.1553 -19.3901 -46.7795 -19.3902 9.4494 58.8158 -46.7795 58.8158 31.5565 GPRESSAVG: 3491600 14.1656 -20.0355 -46.2269 -15.4692 9.98244 56.9455 -46.5265 59.2466 31.0027 TIMING: 3491600 CPU: 10446.1, 0.0030617/step Wall: 10446.1, 0.0030617/step, 1.28285 hours remaining, 206.839844 MB of memory in use. ENERGY: 3491600 743.1385 2055.2722 1929.7463 109.4258 -205930.7776 17864.7348 0.0000 0.0000 34266.1723 -148962.2876 299.2550 -183228.4599 -148867.5656 299.3575 113.2149 138.9881 557398.5083 18.3871 18.3836 PRESSURE: 3491800 -187.346 147.273 -23.4095 147.272 -131.25 -23.9953 -23.4094 -23.9956 -255.127 GPRESSURE: 3491800 -139.016 70.4885 -137.263 193.152 -96.0937 6.01155 20.5951 34.3701 -236.268 PRESSAVG: 3491800 8.53547 19.4906 36.1658 19.4906 6.4718 34.5622 36.1658 34.5621 -15.82 GPRESSAVG: 3491800 8.29701 19.317 34.2957 16.7916 5.76515 36.0074 35.3759 35.3776 -15.0342 TIMING: 3491800 CPU: 10446.7, 0.003036/step Wall: 10446.7, 0.003036/step, 1.27191 hours remaining, 206.839844 MB of memory in use. ENERGY: 3491800 793.2955 2020.1619 1952.5322 114.6883 -205621.5043 17410.5049 0.0000 0.0000 34199.9521 -149130.3694 298.6767 -183330.3215 -149038.9754 298.9682 -191.2411 -157.1261 558080.5717 -0.2709 -0.3240 PRESSURE: 3492000 -13.7805 -75.5499 -30.4478 -75.5496 -117.619 20.0428 -30.4462 20.0418 -27.631 GPRESSURE: 3492000 71.9601 -24.8783 -72.783 -52.8467 -146.032 -13.9281 -52.2461 39.2424 23.1473 PRESSAVG: 3492000 -53.5547 9.84157 -13.0808 9.84152 -29.1557 8.8125 -13.0808 8.81235 27.2462 GPRESSAVG: 3492000 -54.3609 9.2681 -12.9416 10.4309 -28.5639 8.05595 -14.1771 7.51169 27.1497 TIMING: 3492000 CPU: 10447.3, 0.00301045/step Wall: 10447.3, 0.00301045/step, 1.26104 hours remaining, 206.839844 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: 3492000 751.9216 2054.8722 1943.9206 106.1454 -205672.9166 17650.2368 0.0000 0.0000 34120.9704 -149044.8495 297.9869 -183165.8199 -148959.0179 299.5356 -53.0102 -16.9747 558208.4608 -18.4881 -18.5917 PRESSURE: 3492200 -11.1282 -122.293 -108.27 -122.293 -165.875 2.82735 -108.27 2.82635 -49.2544 GPRESSURE: 3492200 -7.61417 -84.25 -135.61 -110.903 -149.775 61.9007 -47.371 -92.7949 25.8402 PRESSAVG: 3492200 -38.9239 19.4154 -12.4891 19.4154 -2.21014 -34.1801 -12.4891 -34.1802 40.1699 GPRESSAVG: 3492200 -38.9903 17.6435 -11.1586 20.636 -1.49753 -32.2179 -10.1269 -33.532 39.5589 TIMING: 3492200 CPU: 10447.9, 0.00303283/step Wall: 10447.9, 0.00303283/step, 1.27025 hours remaining, 206.839844 MB of memory in use. ENERGY: 3492200 747.9150 2066.0764 1935.9284 107.6784 -205781.7170 17668.0234 0.0000 0.0000 34136.4201 -149119.6752 298.1218 -183256.0953 -149030.0320 299.2158 -75.4193 -43.8496 558260.0631 -0.3214 -0.3096 LDB: ============= START OF LOAD BALANCING ============== 10451.3 LDB: ============== END OF LOAD BALANCING =============== 10451.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10451.3 LDB: ============= START OF LOAD BALANCING ============== 10451.6 LDB: Largest compute 4820 load 0.024906 is 21.1% of average load 0.118111 LDB: Average compute 0.001712 is 1.4% of average load 0.118111 LDB: TIME 10451.6 LOAD: AVG 0.118111 MAX 0.221996 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 10451.6 LOAD: AVG 0.118111 MAX 0.221996 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: TIME 10451.6 LOAD: AVG 0.118111 MAX 0.221996 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.547 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10451.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10451.6 PRESSURE: 3492400 460.006 -85.7585 42.1524 -85.7601 21.9241 47.9927 42.1507 47.992 201.642 GPRESSURE: 3492400 491.585 -117.526 29.3644 -84.7265 108.031 20.0522 107.022 127.083 188.496 PRESSAVG: 3492400 16.5344 -66.0005 -26.7923 -66.0006 -9.71207 -39.653 -26.7923 -39.653 6.85555 GPRESSAVG: 3492400 17.3491 -62.2062 -27.2971 -69.5266 -9.78976 -41.1652 -26.449 -37.7267 5.57075 TIMING: 3492400 CPU: 10448.5, 0.00312308/step Wall: 10448.5, 0.00312308/step, 1.30788 hours remaining, 206.644531 MB of memory in use. ENERGY: 3492400 724.7170 2056.1337 1971.5112 107.3614 -206267.3872 17962.7083 0.0000 0.0000 34237.1208 -149207.8349 299.0013 -183444.9557 -149109.4192 299.2253 227.8576 262.7039 556210.5555 4.5593 4.3767 PRESSURE: 3492600 325.944 41.8399 24.2385 41.8416 243.895 -30.2061 24.2378 -30.207 401.048 GPRESSURE: 3492600 420.616 118.641 17.3835 35.1465 243.827 2.3367 10.1048 107.902 391.711 PRESSAVG: 3492600 83.4213 22.2021 17.9024 22.2021 -37.6989 -11.8448 17.9023 -11.8448 7.96686 GPRESSAVG: 3492600 83.0482 22.1455 18.1152 24.1883 -38.3488 -10.0564 18.7212 -12.6878 9.1136 TIMING: 3492600 CPU: 10449.1, 0.00305662/step Wall: 10449.1, 0.00305662/step, 1.27987 hours remaining, 206.847656 MB of memory in use. ENERGY: 3492600 726.1821 2047.1135 1934.2598 115.4722 -206721.8228 18299.8953 0.0000 0.0000 34302.6693 -149296.2306 299.5737 -183598.8999 -149200.0924 298.3181 323.6291 352.0512 556275.5896 17.8964 17.9377 PRESSURE: 3492800 -220.979 -103.532 -28.9902 -103.533 -228.455 78.5101 -28.9896 78.5098 -77.6853 GPRESSURE: 3492800 -208.015 -126.34 -2.06529 -111.863 -226.156 16.2818 -53.501 84.4283 -4.31023 PRESSAVG: 3492800 74.3087 2.12661 -3.7065 2.12648 -24.3911 -13.9593 -3.70645 -13.9593 -52.2837 GPRESSAVG: 3492800 74.7881 1.50791 -5.00478 2.75184 -24.9071 -14.6393 -7.03734 -15.9091 -52.4407 TIMING: 3492800 CPU: 10449.7, 0.0030495/step Wall: 10449.7, 0.0030495/step, 1.27672 hours remaining, 206.847656 MB of memory in use. ENERGY: 3492800 736.8616 2087.5294 1964.8311 108.9560 -205571.8962 17380.9648 0.0000 0.0000 34263.7551 -149028.9983 299.2339 -183292.7534 -148936.8782 298.9864 -175.7066 -146.1603 558923.2508 -0.7887 -0.8532 PRESSURE: 3493000 -464.313 24.3784 139.648 24.3786 -235.259 -43.8134 139.648 -43.8139 28.6559 GPRESSURE: 3493000 -416.924 -42.8826 111.043 86.0266 -203.001 -47.9562 106.557 -79.7647 45.1116 PRESSAVG: 3493000 5.92102 -2.97058 30.0243 -2.97054 -45.7019 -24.5543 30.0244 -24.5543 16.7886 GPRESSAVG: 3493000 5.6134 -2.58373 31.6894 -3.36194 -45.8859 -26.5609 31.0371 -23.6483 16.6338 TIMING: 3493000 CPU: 10450.3, 0.00304071/step Wall: 10450.3, 0.00304071/step, 1.27287 hours remaining, 206.847656 MB of memory in use. ENERGY: 3493000 734.1849 2104.0382 1941.6719 123.5520 -205752.6067 17560.0014 0.0000 0.0000 34396.7375 -148892.4207 300.3953 -183289.1582 -148799.9772 300.0210 -223.6389 -191.6044 559998.1237 -7.6641 -7.8796 PRESSURE: 3493200 -101.464 88.2815 -4.03509 88.2798 -196.777 -159.146 -4.03319 -159.146 -216.29 GPRESSURE: 3493200 -84.579 -41.2375 28.4012 214.505 -87.5434 -130.445 -59.2149 -118.157 -230.557 PRESSAVG: 3493200 23.8186 -62.6128 70.6719 -62.6127 -40.1832 -58.2269 70.6718 -58.2269 20.4431 GPRESSAVG: 3493200 24.163 -65.0617 71.2986 -61.3001 -40.0237 -56.9657 70.4361 -58.8237 20.3975 TIMING: 3493200 CPU: 10450.9, 0.00303619/step Wall: 10450.9, 0.00303619/step, 1.27081 hours remaining, 206.847656 MB of memory in use. ENERGY: 3493200 752.4392 2070.5211 1963.8424 112.1459 -205970.4607 17697.6953 0.0000 0.0000 34440.7531 -148933.0638 300.7797 -183373.8169 -148844.7618 299.9094 -171.5101 -134.2264 557561.4896 1.3595 1.5123 PRESSURE: 3493400 216.564 42.77 -130.789 42.7707 -56.8263 -111.929 -130.787 -111.929 295.597 GPRESSURE: 3493400 244.033 41.3593 -149.808 16.776 7.38235 -149.511 -123.726 -46.1189 297.631 PRESSAVG: 3493400 46.1708 31.1347 -14.6052 31.1346 -35.2908 -43.5376 -14.6052 -43.5375 13.9214 GPRESSAVG: 3493400 45.9036 31.9829 -14.991 28.865 -34.0835 -44.5362 -14.8081 -41.4735 14.0362 TIMING: 3493400 CPU: 10451.6, 0.00303613/step Wall: 10451.6, 0.00303613/step, 1.27062 hours remaining, 206.847656 MB of memory in use. ENERGY: 3493400 727.7437 2053.5750 1929.9168 127.1000 -206403.8314 18101.4935 0.0000 0.0000 34401.9816 -149062.0208 300.4411 -183464.0024 -148965.2669 299.9758 151.7782 183.0154 556341.5965 8.2671 8.6188 PRESSURE: 3493600 51.6427 -52.3971 -103.217 -52.3969 14.1719 64.4291 -103.216 64.4291 -146.215 GPRESSURE: 3493600 60.5368 -55.0599 -113.82 69.2292 -13.1014 39.5251 -16.658 122.114 -57.0795 PRESSAVG: 3493600 -12.1326 -50.6481 18.2708 -50.648 -20.9871 -54.8864 18.2707 -54.8865 46.0525 GPRESSAVG: 3493600 -12.7847 -49.8747 17.7251 -50.0845 -21.6416 -53.8729 18.5927 -55.8612 47.1855 TIMING: 3493600 CPU: 10452.2, 0.00301898/step Wall: 10452.2, 0.00301898/step, 1.26328 hours remaining, 206.847656 MB of memory in use. ENERGY: 3493600 758.0959 2100.5283 1979.0885 104.5444 -206057.0233 17810.0863 0.0000 0.0000 34052.1212 -149252.5585 297.3856 -183304.6798 -149154.3815 299.0503 -26.8001 -3.2147 557543.5455 4.3109 4.2531 PRESSURE: 3493800 -92.6402 111.525 -53.6681 111.524 -48.6901 -100.738 -53.6686 -100.738 -158.742 GPRESSURE: 3493800 10.0462 170.328 -83.0708 149.802 -35.8558 -92.3196 28.7624 -103.985 -185.658 PRESSAVG: 3493800 -5.37056 17.4042 0.608764 17.4041 -5.07047 -69.7081 0.608754 -69.7079 25.5678 GPRESSAVG: 3493800 -5.34268 16.3297 0.646499 16.4156 -3.26159 -70.0564 1.92999 -69.1314 23.9362 TIMING: 3493800 CPU: 10452.8, 0.00307607/step Wall: 10452.8, 0.00307607/step, 1.28699 hours remaining, 206.847656 MB of memory in use. ENERGY: 3493800 714.1703 2136.6551 1953.2299 138.7512 -205913.2590 17585.3503 0.0000 0.0000 34277.2025 -149107.8997 299.3513 -183385.1022 -149015.7285 299.9154 -100.0242 -70.4890 558693.4368 5.0423 5.1106 PRESSURE: 3494000 134.579 47.3689 -51.491 47.3683 -38.816 -80.0145 -51.4912 -80.0137 215.65 GPRESSURE: 3494000 130.818 -26.1373 17.405 -7.62452 22.4893 -132.295 -59.7954 -86.8667 243.28 PRESSAVG: 3494000 23.9287 33.9503 -10.343 33.9503 5.69814 -13.4002 -10.3431 -13.4002 -18.8137 GPRESSAVG: 3494000 24.9227 34.6071 -11.992 35.6384 3.47012 -12.9336 -11.8448 -14.3249 -17.5716 TIMING: 3494000 CPU: 10453.4, 0.00306457/step Wall: 10453.4, 0.00306457/step, 1.28201 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: 3494000 739.6692 2131.0395 1942.5137 109.3305 -206688.3201 18000.2523 0.0000 0.0000 34698.3413 -149067.1736 303.0292 -183765.5150 -148973.3643 299.6336 103.8041 132.1957 557667.5078 3.6044 3.6071 PRESSURE: 3494200 50.3272 -128.969 173.364 -128.968 57.6491 36.4196 173.363 36.4207 -176.615 GPRESSURE: 3494200 124.17 -15.8597 174.488 -126.55 45.9241 60.7233 145.786 91.4818 -142.963 PRESSAVG: 3494200 -21.1459 6.15021 -10.0059 6.15017 -29.8891 25.1464 -10.006 25.1464 7.26908 GPRESSAVG: 3494200 -21.0993 7.60973 -9.2208 4.09426 -29.3734 24.2053 -9.24259 25.1039 6.87703 TIMING: 3494200 CPU: 10454, 0.00304203/step Wall: 10454, 0.00304203/step, 1.27241 hours remaining, 206.847656 MB of memory in use. ENERGY: 3494200 795.1229 2126.7862 1918.2680 106.1597 -206279.0104 17832.9935 0.0000 0.0000 34307.1285 -149192.5518 299.6127 -183499.6803 -149102.5655 299.4384 -22.8796 9.0437 558192.3479 -14.5886 -14.5319 PRESSURE: 3494400 -81.9614 228.006 -162.359 228.006 -98.4882 -64.5613 -162.36 -64.5621 -125.748 GPRESSURE: 3494400 5.09317 147.591 -154.37 263.931 -108.054 42.4439 -139.073 1.15092 -119.845 PRESSAVG: 3494400 27.7635 18.519 -6.48169 18.5191 8.83937 10.6319 -6.48166 10.6317 -16.8757 GPRESSAVG: 3494400 28.6441 16.5443 -5.23524 20.5355 8.29583 12.7431 -5.71653 9.17962 -17.483 TIMING: 3494400 CPU: 10454.6, 0.00305136/step Wall: 10454.6, 0.00305136/step, 1.27615 hours remaining, 206.847656 MB of memory in use. ENERGY: 3494400 790.8246 2137.5248 1959.8337 120.3550 -206363.0587 17701.7335 0.0000 0.0000 34476.3042 -149176.4830 301.0901 -183652.7872 -149077.9436 299.8262 -102.0658 -74.2685 557689.5598 6.5757 6.4856 PRESSURE: 3494600 2.29524 64.2374 -92.0781 64.2378 -26.3635 45.8581 -92.0771 45.8591 -123.254 GPRESSURE: 3494600 93.8464 71.0982 -91.5926 -36.7906 4.8641 26.8788 -85.0906 76.6208 -159.298 PRESSAVG: 3494600 29.6348 29.3048 -36.8543 29.3048 -19.1419 7.0056 -36.8543 7.0055 7.4402 GPRESSAVG: 3494600 29.2215 27.489 -38.2929 28.9517 -18.5801 5.05511 -36.4599 8.96573 7.53971 TIMING: 3494600 CPU: 10455.2, 0.00303875/step Wall: 10455.2, 0.00303875/step, 1.2707 hours remaining, 206.847656 MB of memory in use. ENERGY: 3494600 737.1508 2118.0169 1942.0877 115.6060 -206467.0448 17812.7150 0.0000 0.0000 34561.1745 -149180.2940 301.8313 -183741.4684 -149093.0807 299.7621 -49.1075 -20.1959 557340.3251 5.9777 6.0604 PRESSURE: 3494800 80.4122 127.693 128.25 127.691 180.04 2.84983 128.251 2.85076 95.8803 GPRESSURE: 3494800 147.64 119.609 158.817 83.9361 214.672 -71.4039 66.6948 34.8138 93.5476 PRESSAVG: 3494800 55.8329 15.4425 -40.9201 15.4426 -33.6198 17.1743 -40.9201 17.1743 5.60023 GPRESSAVG: 3494800 55.3654 16.6495 -41.8173 15.2196 -33.1157 16.954 -41.4533 16.3547 5.70665 TIMING: 3494800 CPU: 10455.8, 0.0030495/step Wall: 10455.8, 0.0030495/step, 1.27503 hours remaining, 206.847656 MB of memory in use. ENERGY: 3494800 709.2298 2121.9699 1958.1217 118.0725 -206137.1896 17777.4238 0.0000 0.0000 34286.3918 -149165.9801 299.4316 -183452.3719 -149061.3579 299.6799 118.7774 151.9533 556803.3650 9.2711 9.3188 PRESSURE: 3495000 -46.351 147.486 87.5282 147.486 -64.8637 -68.6387 87.5289 -68.6396 -123.182 GPRESSURE: 3495000 -26.9202 129.916 65.5531 171.107 -61.0144 -106.294 81.4564 -76.5796 -54.4527 PRESSAVG: 3495000 37.2072 2.39383 -11.2384 2.39378 -4.19186 44.2089 -11.2385 44.2089 -5.79523 GPRESSAVG: 3495000 38.2619 1.2477 -9.60069 2.53756 -5.61115 45.1839 -12.6696 43.2862 -5.61735 TIMING: 3495000 CPU: 10456.4, 0.00304637/step Wall: 10456.4, 0.00304637/step, 1.27355 hours remaining, 206.847656 MB of memory in use. ENERGY: 3495000 752.8360 2118.5261 1967.2230 104.2421 -206204.0798 17699.5185 0.0000 0.0000 34256.6463 -149305.0878 299.1718 -183561.7341 -149221.4108 299.8089 -78.1322 -47.4624 556406.3686 9.0734 9.0111 PRESSURE: 3495200 -77.9693 -203.938 -4.45213 -203.938 -37.3542 -43.8548 -4.45116 -43.8542 -21.8762 GPRESSURE: 3495200 -94.3303 -162.866 -65.6097 -199.298 16.8929 -39.3984 52.8869 -14.1039 38.1713 PRESSAVG: 3495200 41.5616 31.8034 10.6155 31.8035 1.3745 -4.28733 10.6156 -4.28736 3.40176 GPRESSAVG: 3495200 40.784 31.4657 9.30398 32.7561 1.93547 -6.32618 11.3943 -2.26377 3.77526 TIMING: 3495200 CPU: 10457, 0.00305577/step Wall: 10457, 0.00305577/step, 1.27731 hours remaining, 206.847656 MB of memory in use. ENERGY: 3495200 753.7012 2123.1041 1937.7328 98.5275 -206143.7348 17682.5636 0.0000 0.0000 34090.9639 -149457.1418 297.7249 -183548.1056 -149355.7349 298.7525 -45.7332 -13.0887 557234.7319 15.4460 15.4982 PRESSURE: 3495400 -224.921 137.144 76.9485 137.144 -40.8378 37.3959 76.9492 37.3945 -78.1769 GPRESSURE: 3495400 -181.577 246.247 57.0541 138.269 -35.8256 87.2143 41.7905 25.3453 -31.0813 PRESSAVG: 3495400 -1.13793 30.1836 14.1706 30.1837 79.8683 -1.46461 14.1707 -1.4646 -34.4926 GPRESSAVG: 3495400 0.458496 32.0951 16.328 28.1802 79.3318 2.33919 13.7622 -4.05295 -34.9528 TIMING: 3495400 CPU: 10457.7, 0.00305573/step Wall: 10457.7, 0.00305573/step, 1.27713 hours remaining, 206.847656 MB of memory in use. ENERGY: 3495400 712.2408 2154.0802 1942.2783 115.2958 -206279.1042 17711.9580 0.0000 0.0000 34187.2406 -149456.0104 298.5657 -183643.2510 -149357.7778 298.4595 -114.6452 -82.8278 558077.8165 14.7459 14.9458 PRESSURE: 3495600 -219.299 120.734 -48.7502 120.733 20.3964 65.8436 -48.7501 65.8414 86.3079 GPRESSURE: 3495600 -182.904 110.817 -46.1102 66.788 48.4962 71.4268 5.63238 5.8565 120.793 PRESSAVG: 3495600 -65.7849 17.4323 -5.59956 17.4323 -8.33037 -35.2455 -5.59969 -35.2454 34.8123 GPRESSAVG: 3495600 -66.8328 16.3719 -7.02554 17.5859 -7.68883 -37.1827 -5.08658 -32.6906 35.4264 TIMING: 3495600 CPU: 10458.3, 0.00305294/step Wall: 10458.3, 0.00305294/step, 1.27579 hours remaining, 206.847656 MB of memory in use. ENERGY: 3495600 754.1764 2122.7248 1954.3308 118.9773 -206299.7055 17826.4307 0.0000 0.0000 34092.2275 -149430.8379 297.7359 -183523.0655 -149330.2255 298.2855 -37.5315 -4.5382 557930.8336 -13.1010 -13.0317 PRESSURE: 3495800 -73.3839 -69.3468 -41.7091 -69.3474 34.3244 95.3632 -41.7088 95.3645 110.447 GPRESSURE: 3495800 -56.0798 -20.839 31.679 -3.56682 124.37 98.5788 -54.5017 -4.12059 93.1356 PRESSAVG: 3495800 -7.4509 71.0425 -25.6756 71.0425 -27.7498 44.8976 -25.6756 44.8975 43.3207 GPRESSAVG: 3495800 -8.57256 71.5894 -25.0288 71.4701 -26.8959 44.3422 -26.3888 44.572 43.5047 TIMING: 3495800 CPU: 10458.9, 0.00304805/step Wall: 10458.9, 0.00304805/step, 1.27358 hours remaining, 206.847656 MB of memory in use. ENERGY: 3495800 694.3064 2063.9962 1914.3843 138.7673 -206196.1027 17625.1282 0.0000 0.0000 34256.2031 -149503.3172 299.1679 -183759.5203 -149402.3287 298.2258 23.7957 53.8085 557901.1236 2.7067 2.6787 PRESSURE: 3496000 109.055 161.445 -57.0481 161.446 89.624 34.3164 -57.0479 34.3161 194.841 GPRESSURE: 3496000 141.405 163.829 -74.6683 218.37 162.395 32.0789 -29.8364 20.2663 185.446 PRESSAVG: 3496000 -13.7708 48.0821 -70.2726 48.082 -31.5676 -2.74475 -70.2726 -2.74481 16.7155 GPRESSAVG: 3496000 -12.9644 48.2216 -69.4776 48.5889 -32.0174 -3.58219 -70.2309 -2.76024 15.5606 TIMING: 3496000 CPU: 10459.5, 0.00304186/step Wall: 10459.5, 0.00304186/step, 1.27082 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: 3496000 760.6515 2073.9275 1940.2944 125.9503 -206589.2024 18136.9578 0.0000 0.0000 33974.9106 -149576.5103 296.7113 -183551.4208 -149478.5055 297.9424 131.1734 163.0820 556669.6893 -9.5410 -9.8071 PRESSURE: 3496200 316.739 -75.9028 -66.5866 -75.9043 -23.4339 60.1718 -66.5856 60.1718 34.3051 GPRESSURE: 3496200 363.25 -151.537 -36.0054 -20.43 19.3047 114.601 -124.013 48.7503 41.561 PRESSAVG: 3496200 3.44156 36.8598 -39.3942 36.8598 -30.2374 48.6366 -39.3942 48.6366 53.0278 GPRESSAVG: 3496200 2.673 36.7407 -41.3755 35.9294 -29.8502 48.1114 -37.8617 48.4735 53.284 TIMING: 3496200 CPU: 10460.1, 0.00305229/step Wall: 10460.1, 0.00305229/step, 1.27501 hours remaining, 206.847656 MB of memory in use. ENERGY: 3496200 763.7824 2118.1507 1928.2426 120.4500 -206505.9551 17895.3147 0.0000 0.0000 34253.9904 -149426.0242 299.1486 -183680.0146 -149327.2596 298.6601 109.2034 141.3718 555410.4562 8.7440 8.7023 LDB: ============= START OF LOAD BALANCING ============== 10463.5 LDB: ============== END OF LOAD BALANCING =============== 10463.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10463.5 LDB: ============= START OF LOAD BALANCING ============== 10463.8 LDB: Largest compute 4820 load 0.025713 is 21.8% of average load 0.118117 LDB: Average compute 0.001720 is 1.5% of average load 0.118117 LDB: TIME 10463.8 LOAD: AVG 0.118117 MAX 0.219306 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.973 MB LDB: TIME 10463.8 LOAD: AVG 0.118117 MAX 0.219306 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.035 MB LDB: TIME 10463.8 LOAD: AVG 0.118117 MAX 0.219306 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.035 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10463.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10463.8 PRESSURE: 3496400 109.335 -23.714 -64.6879 -23.7151 80.8443 97.7494 -64.6873 97.7494 -98.1826 GPRESSURE: 3496400 161.285 -35.9204 -16.2387 16.5015 137.052 55.7138 -104.483 69.737 -103.271 PRESSAVG: 3496400 74.5541 -13.5151 9.60674 -13.5151 12.336 76.3917 9.60666 76.3917 -54.2386 GPRESSAVG: 3496400 74.4025 -12.212 10.2407 -14.4865 10.6452 77.9623 8.3477 75.422 -52.8585 TIMING: 3496400 CPU: 10460.7, 0.00310645/step Wall: 10460.7, 0.00310645/step, 1.29746 hours remaining, 206.769531 MB of memory in use. ENERGY: 3496400 740.6273 2076.1340 1937.1895 110.8092 -206117.0393 17630.9414 0.0000 0.0000 34355.6489 -149265.6891 300.0364 -183621.3380 -149166.6848 299.0331 30.6656 65.0221 554845.5878 10.8839 10.7297 PRESSURE: 3496600 92.1812 -71.9426 7.73577 -71.9427 98.624 -25.2352 7.73557 -25.2349 45.4598 GPRESSURE: 3496600 102.204 -71.4509 69.785 -115.088 178.372 -120.043 0.554941 -8.07396 58.4763 PRESSAVG: 3496600 -13.8799 38.4293 -0.330823 38.4293 56.2901 -27.7581 -0.330777 -27.7581 -66.058 GPRESSAVG: 3496600 -14.1943 38.5311 0.810559 36.8814 57.6874 -27.1271 0.844865 -27.8787 -66.6136 TIMING: 3496600 CPU: 10461.3, 0.00305247/step Wall: 10461.3, 0.00305247/step, 1.27475 hours remaining, 206.769531 MB of memory in use. ENERGY: 3496600 739.2737 2099.1397 1935.3660 112.7934 -206441.8683 17983.6794 0.0000 0.0000 34260.2273 -149311.3888 299.2031 -183571.6162 -149212.5531 298.9771 78.7550 113.0174 554381.1285 -7.8826 -7.7068 PRESSURE: 3496800 -62.5867 -196.619 -90.9079 -196.621 119.304 15.0073 -90.9083 15.0072 -109.225 GPRESSURE: 3496800 -2.8598 -209.357 -148.739 -178.541 143.422 63.8168 -98.2107 30.39 -104.89 PRESSAVG: 3496800 3.10519 0.905864 -45.0468 0.905813 94.4822 -8.73245 -45.0469 -8.7324 -56.637 GPRESSAVG: 3496800 4.97208 2.06997 -44.9868 2.09156 93.9351 -9.87998 -45.0668 -7.38087 -57.6481 TIMING: 3496800 CPU: 10461.9, 0.0030395/step Wall: 10461.9, 0.0030395/step, 1.26916 hours remaining, 207.031250 MB of memory in use. ENERGY: 3496800 745.2942 2088.1779 1934.8257 108.6867 -206082.0079 17603.5594 0.0000 0.0000 34299.9220 -149301.5420 299.5497 -183601.4640 -149206.6984 299.9983 -17.5024 11.8906 556275.7955 13.6501 13.7530 PRESSURE: 3497000 -122.291 103.903 -31.4861 103.904 -53.5092 -288.739 -31.4852 -288.737 135.952 GPRESSURE: 3497000 -69.4818 126.824 -12.996 -14.578 -19.6955 -239.801 -83.0554 -327.398 142.474 PRESSAVG: 3497000 19.7267 4.12758 -39.6641 4.1276 6.55783 34.3969 -39.6639 34.3969 49.5874 GPRESSAVG: 3497000 19.4858 3.0185 -40.662 3.8019 7.18531 33.1854 -40.4249 34.4651 49.0822 TIMING: 3497000 CPU: 10462.5, 0.00303031/step Wall: 10462.5, 0.00303031/step, 1.26515 hours remaining, 207.031250 MB of memory in use. ENERGY: 3497000 750.9775 2121.5266 1938.3303 109.8620 -206042.8664 17792.4627 0.0000 0.0000 34157.5494 -149172.1578 298.3064 -183329.7073 -149077.3573 299.9208 -13.2826 17.7656 558289.5652 25.2906 25.2511 PRESSURE: 3497200 -110.391 -73.0174 -128.89 -73.0175 -220.614 -132.692 -128.889 -132.692 132.202 GPRESSURE: 3497200 -102.131 26.7981 -121.612 -27.3495 -171.486 -95.9464 -141.717 -101.793 177.77 PRESSAVG: 3497200 2.28493 -11.6791 1.98434 -11.6791 -59.5648 -53.4995 1.98424 -53.4994 59.6124 GPRESSAVG: 3497200 0.439693 -11.1438 2.64268 -10.9492 -58.5295 -52.5459 0.397392 -54.1447 60.1067 TIMING: 3497200 CPU: 10463.1, 0.0030132/step Wall: 10463.1, 0.0030132/step, 1.25784 hours remaining, 207.031250 MB of memory in use. ENERGY: 3497200 748.0011 2061.4579 1945.1602 107.0626 -206184.7380 17829.9034 0.0000 0.0000 34177.5062 -149315.6467 298.4807 -183493.1529 -149218.1060 298.6204 -66.2676 -31.9488 557777.3673 0.7775 0.6723 PRESSURE: 3497400 -244.144 145.58 -158.235 145.579 -74.5151 -29.2546 -158.235 -29.2552 256.149 GPRESSURE: 3497400 -206.573 115.506 -135.297 122.819 -43.5853 -15.6425 -246.757 56.9913 285.668 PRESSAVG: 3497400 -31.3743 -5.73496 1.44308 -5.73489 -35.0216 -34.9077 1.44318 -34.9077 37.5745 GPRESSAVG: 3497400 -29.9052 -7.46239 0.541468 -5.98485 -37.5257 -34.6699 2.99218 -35.668 38.6916 TIMING: 3497400 CPU: 10463.7, 0.00303052/step Wall: 10463.7, 0.00303053/step, 1.26491 hours remaining, 207.031250 MB of memory in use. ENERGY: 3497400 720.7384 2116.0408 1964.3512 117.0806 -206162.6638 17782.9006 0.0000 0.0000 34066.9101 -149394.6421 297.5148 -183461.5522 -149300.9642 298.5150 -20.8369 11.8367 558440.5101 -9.6071 -9.5798 PRESSURE: 3497600 -83.0668 -63.23 63.3558 -63.2304 125.205 -105.504 63.355 -105.502 47.745 GPRESSURE: 3497600 -12.0463 -95.2286 46.2013 -33.6767 133.926 -113.803 60.9734 -143.549 69.6493 PRESSAVG: 3497600 -43.3724 -27.046 0.0262016 -27.046 5.97354 -24.4535 0.0262048 -24.4534 20.5509 GPRESSAVG: 3497600 -43.1699 -27.852 0.543363 -27.5752 6.05144 -24.7653 -1.31928 -22.7892 20.0685 TIMING: 3497600 CPU: 10464.4, 0.00305816/step Wall: 10464.4, 0.00305816/step, 1.27627 hours remaining, 207.031250 MB of memory in use. ENERGY: 3497600 736.9014 2066.4338 1926.4678 108.6233 -206353.4786 17758.5783 0.0000 0.0000 34233.7085 -149522.7655 298.9715 -183756.4740 -149426.2663 298.9982 29.9611 63.8430 557087.0386 -5.6160 -5.6833 PRESSURE: 3497800 60.8905 -104.217 245.013 -104.218 -96.9288 -0.72102 245.012 -0.721612 -75.4552 GPRESSURE: 3497800 101.073 -131.61 196.676 -54.2065 -95.9962 32.7721 263.15 -80.6626 -20.3524 PRESSAVG: 3497800 -68.8693 -3.99859 -0.852706 -3.99853 66.2077 16.9165 -0.852804 16.9164 37.3594 GPRESSAVG: 3497800 -69.33 -2.53045 -2.28354 -3.27417 68.1199 17.9015 1.33795 15.5666 36.39 TIMING: 3497800 CPU: 10465, 0.00303856/step Wall: 10465, 0.00303856/step, 1.26792 hours remaining, 207.031250 MB of memory in use. ENERGY: 3497800 742.1478 2048.0298 1939.9014 107.4097 -206056.4328 17745.0639 0.0000 0.0000 33978.0349 -149495.8453 296.7386 -183473.8802 -149399.8119 297.9551 -37.1645 -5.0919 556953.3462 11.5659 11.7267 PRESSURE: 3498000 -90.6119 -21.7749 -93.2646 -21.7753 -67.0948 -18.5449 -93.2645 -18.5444 -217.031 GPRESSURE: 3498000 -61.6981 9.08191 -39.7275 -15.5558 -86.6603 -71.1802 -168.033 -119.193 -132.496 PRESSAVG: 3498000 -32.4372 -8.13907 22.6735 -8.13901 29.7685 -6.24927 22.6734 -6.24917 30.7815 GPRESSAVG: 3498000 -32.6261 -8.46801 24.1638 -8.50574 28.1081 -8.15597 19.6641 -7.5572 32.9253 TIMING: 3498000 CPU: 10465.6, 0.00306931/step Wall: 10465.6, 0.00306931/step, 1.28058 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: 3498000 722.6301 2055.4279 1935.3890 111.6307 -206119.5333 17526.8339 0.0000 0.0000 34320.2274 -149447.3945 299.7271 -183767.6219 -149350.4926 298.9639 -124.9127 -93.6182 556106.3557 9.3709 9.4691 PRESSURE: 3498200 -216.447 -20.9668 104.42 -20.9682 -27.6792 -79.5673 104.421 -79.5671 123.82 GPRESSURE: 3498200 -136.547 53.2071 74.127 -20.0295 14.7349 -83.464 53.1498 -88.2432 109.163 PRESSAVG: 3498200 51.078 10.5031 25.0846 10.5029 -59.889 -72.2127 25.0846 -72.2127 13.7046 GPRESSAVG: 3498200 50.4238 10.3411 25.0389 10.975 -59.5127 -72.4212 26.2205 -69.6984 13.9707 TIMING: 3498200 CPU: 10466.2, 0.00303452/step Wall: 10466.2, 0.00303452/step, 1.2659 hours remaining, 207.031250 MB of memory in use. ENERGY: 3498200 727.7803 2110.6364 1932.9042 99.6600 -206359.5371 17808.1776 0.0000 0.0000 34299.9114 -149380.4673 299.5497 -183680.3787 -149279.9528 298.9687 -40.1019 -4.2164 556161.6403 1.6312 1.6273 PRESSURE: 3498400 -75.3213 -19.1592 -82.8147 -19.1592 -15.6475 -254.29 -82.8142 -254.289 -138.158 GPRESSURE: 3498400 23.9492 -81.0677 -174.661 -47.8479 -15.1135 -262.179 49.3709 -259.708 -138.26 PRESSAVG: 3498400 -1.36885 -14.4999 -16.5728 -14.4999 6.43645 -28.9242 -16.5728 -28.9242 -13.398 GPRESSAVG: 3498400 -1.30473 -15.2964 -16.839 -14.0515 7.5485 -26.5984 -15.1337 -30.3315 -14.8159 TIMING: 3498400 CPU: 10466.8, 0.00303129/step Wall: 10466.8, 0.00303129/step, 1.26438 hours remaining, 207.031250 MB of memory in use. ENERGY: 3498400 727.1320 2102.2549 1944.9206 121.9463 -206232.0833 17745.3463 0.0000 0.0000 34197.1663 -149393.3169 298.6524 -183590.4833 -149305.3584 298.5785 -76.3757 -43.1416 556640.8343 -2.7768 -2.8574 PRESSURE: 3498600 -68.9426 -143.911 -19.3865 -143.911 -210.23 96.5954 -19.3869 96.5978 35.7593 GPRESSURE: 3498600 -41.6098 -152.936 -33.233 -170.402 -157.796 91.5991 -21.3422 15.0428 65.2636 PRESSAVG: 3498600 15.1726 14.302 -41.6037 14.3021 -65.3045 21.3849 -41.6036 21.3849 68.4026 GPRESSAVG: 3498600 15.6669 14.6684 -42.2898 13.3314 -66.093 21.5097 -42.9629 21.4279 68.5309 TIMING: 3498600 CPU: 10467.4, 0.0030626/step Wall: 10467.4, 0.0030626/step, 1.27728 hours remaining, 207.031250 MB of memory in use. ENERGY: 3498600 764.8795 2079.9251 1926.7618 114.6004 -206320.5852 17810.4243 0.0000 0.0000 34189.3527 -149434.6413 298.5841 -183623.9940 -149336.6685 298.0584 -81.1378 -44.7141 558519.4086 6.0902 6.0349 PRESSURE: 3498800 127.441 -187.416 -6.01203 -187.417 42.3663 79.1476 -6.01151 79.1461 274.275 GPRESSURE: 3498800 171.31 -141.588 0.612151 -211.188 31.5965 89.0794 49.6914 11.9824 342.654 PRESSAVG: 3498800 26.5924 7.42 -58.6878 7.41997 -18.4375 -28.8653 -58.6877 -28.8653 5.06116 GPRESSAVG: 3498800 26.2745 7.94165 -59.4701 7.32835 -17.6004 -29.2166 -58.5044 -28.6833 5.58412 TIMING: 3498800 CPU: 10468, 0.00309256/step Wall: 10468, 0.00309256/step, 1.2896 hours remaining, 207.031250 MB of memory in use. ENERGY: 3498800 721.1347 2080.3689 1917.9757 126.3466 -206539.9200 18000.0459 0.0000 0.0000 34269.5411 -149424.5071 299.2844 -183694.0482 -149332.6618 298.5277 148.0274 181.8535 557182.6508 4.4053 4.7528 PRESSURE: 3499000 -30.0698 -12.4961 -172.839 -12.496 -156.139 -103.655 -172.839 -103.654 29.3305 GPRESSURE: 3499000 -0.399975 34.636 -280.041 -59.1241 -93.5843 -49.2176 -132.424 -164.408 32.7223 PRESSAVG: 3499000 -14.8221 -41.1389 1.11612 -41.1388 -25.6155 -9.2804 1.11609 -9.28029 19.2377 GPRESSAVG: 3499000 -14.3236 -40.9538 3.27993 -41.4306 -26.0935 -8.62668 0.663613 -9.45685 19.2839 TIMING: 3499000 CPU: 10468.6, 0.00308437/step Wall: 10468.6, 0.00308437/step, 1.28601 hours remaining, 207.031250 MB of memory in use. ENERGY: 3499000 761.3928 2112.4953 1933.3472 114.2209 -206391.0978 17678.4909 0.0000 0.0000 34326.8238 -149464.3270 299.7847 -183791.1508 -149372.7036 299.1910 -52.2928 -20.4207 557683.0070 -7.0666 -7.0444 PRESSURE: 3499200 -258.346 200.253 -152.838 200.251 -151.047 -64.0106 -152.838 -64.01 -212.745 GPRESSURE: 3499200 -234.579 229.046 -109.547 158.314 -126.322 -0.605416 -79.1177 -3.5182 -174.278 PRESSAVG: 3499200 23.8753 18.4417 -85.6622 18.4417 -13.5471 -56.7015 -85.6621 -56.7015 -28.7527 GPRESSAVG: 3499200 22.7254 16.718 -87.5887 20.8605 -12.9872 -57.4947 -85.7663 -56.5435 -28.4946 TIMING: 3499200 CPU: 10469.3, 0.00306951/step Wall: 10469.3, 0.00306951/step, 1.27965 hours remaining, 207.031250 MB of memory in use. ENERGY: 3499200 720.8618 2104.2638 1920.9243 118.4080 -206373.3083 17661.0170 0.0000 0.0000 34307.0651 -149540.7684 299.6121 -183847.8335 -149445.7208 299.0981 -207.3794 -178.3932 558372.2489 -6.1415 -6.2521 PRESSURE: 3499400 -122.921 -17.2851 -92.0117 -17.2863 -70.2251 -49.7883 -92.0113 -49.789 -221.171 GPRESSURE: 3499400 -72.9869 -12.6779 -131.551 -22.5178 -91.8114 -54.1117 -99.6335 37.6214 -153.518 PRESSAVG: 3499400 -23.914 -31.6522 -13.6681 -31.6522 -50.0412 -34.9569 -13.668 -34.957 111.442 GPRESSAVG: 3499400 -24.3277 -29.8554 -12.4973 -32.9705 -49.5579 -36.3678 -14.7016 -33.1752 111.189 TIMING: 3499400 CPU: 10469.9, 0.00307592/step Wall: 10469.9, 0.00307592/step, 1.28215 hours remaining, 207.031250 MB of memory in use. ENERGY: 3499400 696.5146 2093.3259 1933.9410 103.7774 -205831.8290 17586.8598 0.0000 0.0000 34255.0079 -149162.4023 299.1575 -183417.4103 -149066.1233 299.1193 -138.1057 -106.1055 558591.5271 12.4956 12.4345 PRESSURE: 3499600 -77.5013 -122.255 -77.61 -122.255 -5.7866 126.53 -77.6084 126.53 60.601 GPRESSURE: 3499600 -108.707 -123.567 -76.5193 -130.701 13.6724 -10.5677 -122.188 121.095 170.438 PRESSAVG: 3499600 60.2903 -61.4202 -17.835 -61.4201 -51.9372 -38.1148 -17.8351 -38.1148 17.5473 GPRESSAVG: 3499600 60.8979 -61.9136 -19.009 -62.29 -52.3979 -37.2549 -16.2242 -38.5251 17.0887 TIMING: 3499600 CPU: 10470.5, 0.00308475/step Wall: 10470.5, 0.00308475/step, 1.28565 hours remaining, 207.031250 MB of memory in use. ENERGY: 3499600 701.4834 2088.0959 1910.7660 114.0579 -206041.6226 17854.2898 0.0000 0.0000 34218.5198 -149154.4098 298.8388 -183372.9296 -149060.3302 298.5423 -7.5623 25.1344 559849.0826 8.6335 8.5296 PRESSURE: 3499800 -25.5102 39.9622 -104.119 39.9612 -75.516 -141.789 -104.118 -141.79 -76.348 GPRESSURE: 3499800 -10.3124 -12.8034 -40.2331 -1.7104 -49.6617 -185.552 -191.736 -152.761 -20.2875 PRESSAVG: 3499800 105.23 -30.4967 -50.1236 -30.4967 -104.829 3.18152 -50.1236 3.18153 -27.1742 GPRESSAVG: 3499800 105.547 -33.3023 -47.2581 -29.1641 -106.64 2.41702 -50.4163 4.20575 -26.097 TIMING: 3499800 CPU: 10471.1, 0.00306468/step Wall: 10471.1, 0.00306468/step, 1.27712 hours remaining, 207.031250 MB of memory in use. ENERGY: 3499800 697.1646 2074.3835 1931.2926 107.7151 -205930.3564 17654.1824 0.0000 0.0000 34188.1444 -149277.4739 298.5736 -183465.6183 -149192.0537 298.9766 -59.1248 -26.7538 559234.0822 -8.9241 -9.0632 PRESSURE: 3500000 -41.9551 -63.0258 -105.345 -63.0259 96.3884 86.5433 -105.346 86.542 2.96927 GPRESSURE: 3500000 -39.1555 -105.916 -121.354 -116.504 149.499 162.006 -106.125 139.974 32.6195 PRESSAVG: 3500000 21.0511 -24.4594 4.55781 -24.4594 39.9912 -64.2322 4.55781 -64.2322 -42.2071 GPRESSAVG: 3500000 19.4937 -22.2151 -0.275383 -23.1873 42.4339 -62.2534 7.50735 -64.767 -42.918 TIMING: 3500000 CPU: 10471.7, 0.00306347/step Wall: 10471.7, 0.00306347/step, 1.27645 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: 3500000 716.7515 2083.4643 1916.7449 110.9885 -206041.0695 17839.8056 0.0000 0.0000 34055.7824 -149317.5321 297.4176 -183373.3146 -149225.0113 299.3075 19.1342 47.6545 559291.7713 6.2784 6.3365 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3500000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3500000 WRITING COORDINATES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3500200 31.9286 -58.3513 57.1747 -58.3508 -90.662 -71.7534 57.1752 -71.7541 -189.236 GPRESSURE: 3500200 25.6733 -51.4705 138.654 -0.045065 -22.4989 -112.251 -6.61878 -28.3278 -152.313 PRESSAVG: 3500200 51.3561 -37.5107 -46.5642 -37.5106 -72.3125 53.9748 -46.5642 53.9749 13.1488 GPRESSAVG: 3500200 52.3382 -37.4276 -44.4769 -37.7483 -74.3632 50.9935 -49.155 55.0289 13.8791 TIMING: 3500200 CPU: 10472.4, 0.00324697/step Wall: 10472.4, 0.00324697/step, 1.35272 hours remaining, 207.031250 MB of memory in use. ENERGY: 3500200 713.8725 2064.5473 1932.2123 113.4901 -206380.1171 17859.8920 0.0000 0.0000 34267.5748 -149428.5282 299.2673 -183696.1030 -149330.5770 298.6958 -82.6564 -49.7128 558839.9327 -2.6025 -2.7153 LDB: ============= START OF LOAD BALANCING ============== 10475.8 LDB: ============== END OF LOAD BALANCING =============== 10475.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10475.8 LDB: ============= START OF LOAD BALANCING ============== 10476.1 LDB: Largest compute 4820 load 0.023785 is 20.1% of average load 0.118091 LDB: Average compute 0.001719 is 1.5% of average load 0.118091 LDB: TIME 10476.1 LOAD: AVG 0.118091 MAX 0.22282 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.395 MB LDB: TIME 10476.1 LOAD: AVG 0.118091 MAX 0.22282 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.398 MB LDB: TIME 10476.1 LOAD: AVG 0.118091 MAX 0.22282 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10476.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10476.1 PRESSURE: 3500400 -68.0805 -40.0738 -110.108 -40.0743 16.2756 64.8932 -110.108 64.8931 0.200767 GPRESSURE: 3500400 -59.9859 -16.2802 -111.871 -71.0293 98.1045 90.1342 -36.2732 106.443 -2.10569 PRESSAVG: 3500400 18.4564 -20.0028 5.70956 -20.0029 15.8079 14.7025 5.70951 14.7026 -30.7827 GPRESSAVG: 3500400 18.3379 -18.0644 6.48425 -22.4965 17.5336 17.0333 5.18029 14.3982 -31.972 TIMING: 3500400 CPU: 10473, 0.00313504/step Wall: 10473, 0.00313504/step, 1.30592 hours remaining, 206.675781 MB of memory in use. ENERGY: 3500400 744.3951 2055.1939 1965.2414 108.1104 -206263.1673 17912.2481 0.0000 0.0000 34268.8353 -149209.1432 299.2783 -183477.9785 -149111.0464 298.8820 -17.2013 12.0043 560257.4623 1.1605 1.2998 PRESSURE: 3500600 -195.515 47.4925 -102.421 47.4932 -259.115 -165.056 -102.419 -165.057 -215.027 GPRESSURE: 3500600 -245.052 75.2855 -102.295 55.3556 -179.909 -271.211 -128.828 -128.092 -158.332 PRESSAVG: 3500600 27.6251 -13.9225 48.122 -13.9225 2.06984 -39.1324 48.1221 -39.1324 -27.6509 GPRESSAVG: 3500600 25.9018 -14.9062 47.385 -13.0584 2.83105 -40.6993 47.9307 -40.3082 -27.6258 TIMING: 3500600 CPU: 10473.6, 0.00304939/step Wall: 10473.6, 0.00304939/step, 1.27007 hours remaining, 206.878906 MB of memory in use. ENERGY: 3500600 759.9284 2104.4159 1941.0128 105.9168 -205813.7314 17551.4335 0.0000 0.0000 34219.0979 -149131.9262 298.8439 -183351.0241 -149030.7439 299.2919 -223.2189 -194.4312 560327.4215 0.6814 0.3690 PRESSURE: 3500800 59.6464 -95.988 -92.2093 -95.9884 184.652 75.9469 -92.2107 75.9463 177.134 GPRESSURE: 3500800 99.0631 -86.3893 -60.2668 -22.5426 155.559 24.8397 -133.111 28.6669 254.429 PRESSAVG: 3500800 40.4607 17.6717 -35.4531 17.6717 -16.7392 -24.6767 -35.4531 -24.6766 -56.9115 GPRESSAVG: 3500800 40.4624 16.8205 -35.046 18.4884 -18.3533 -22.1049 -35.9554 -27.3626 -55.2794 TIMING: 3500800 CPU: 10474.2, 0.00307676/step Wall: 10474.2, 0.00307676/step, 1.2813 hours remaining, 206.878906 MB of memory in use. ENERGY: 3500800 699.5567 2165.3981 1956.6762 118.3618 -206438.6158 18096.2867 0.0000 0.0000 34463.2588 -148939.0774 300.9762 -183402.3363 -148849.0742 299.2887 140.4775 169.6837 557342.9659 -11.0634 -11.0568 PRESSURE: 3501000 -43.0304 199.055 77.9688 199.054 -161.927 -17.115 77.9675 -17.1149 146.045 GPRESSURE: 3501000 -25.8904 238.069 56.1218 96.9005 -142.777 -62.3136 100.475 -0.90166 210.412 PRESSAVG: 3501000 44.9062 5.53154 -29.9315 5.53159 -89.9461 -15.8565 -29.9314 -15.8565 24.8423 GPRESSAVG: 3501000 45.8065 5.27484 -31.6264 4.0567 -89.2238 -15.7064 -29.3933 -15.1132 22.9135 TIMING: 3501000 CPU: 10474.8, 0.00302933/step Wall: 10474.8, 0.00302933/step, 1.26138 hours remaining, 206.878906 MB of memory in use. ENERGY: 3501000 733.6656 2108.5880 1935.0736 105.1311 -205802.6701 17755.7970 0.0000 0.0000 34233.4063 -148931.0085 298.9689 -183164.4148 -148835.5777 299.6584 -19.6375 13.9150 558974.7262 -6.7325 -6.8346 PRESSURE: 3501200 -121.529 113.525 -76.9906 113.526 -14.4531 -42.7896 -76.9898 -42.7894 108.44 GPRESSURE: 3501200 -130.028 119.541 -123.037 169.848 13.54 29.4748 -64.1428 72.4021 187.674 PRESSAVG: 3501200 39.2267 45.3286 23.8617 45.3286 -19.1087 27.9575 23.8617 27.9575 51.4208 GPRESSAVG: 3501200 39.2306 43.5871 27.5138 49.2769 -19.1623 26.2861 26.1193 29.7765 52.0121 TIMING: 3501200 CPU: 10475.4, 0.00302535/step Wall: 10475.4, 0.00302535/step, 1.25956 hours remaining, 206.878906 MB of memory in use. ENERGY: 3501200 724.3813 2029.0590 1947.4394 108.6591 -206273.9618 17883.1286 0.0000 0.0000 34448.4791 -149132.8153 300.8471 -183581.2944 -149037.0492 299.7813 -9.1809 23.7288 556256.8650 23.8463 24.0268 PRESSURE: 3501400 308.659 -113.112 37.429 -113.113 161.077 -89.6599 37.4305 -89.661 184.052 GPRESSURE: 3501400 341.161 -150.801 124.651 -82.6743 146.734 -135.956 59.2755 -63.4483 270.443 PRESSAVG: 3501400 -16.5763 -2.32292 54.0953 -2.32288 -34.3804 -11.4465 54.0953 -11.4466 59.9685 GPRESSAVG: 3501400 -16.9877 -2.26395 52.1638 -5.01399 -32.8409 -11.1254 53.5083 -11.884 59.2299 TIMING: 3501400 CPU: 10476, 0.00302736/step Wall: 10476, 0.00302736/step, 1.26022 hours remaining, 206.878906 MB of memory in use. ENERGY: 3501400 723.4742 2072.8573 1955.0095 105.0462 -206347.0967 18014.6354 0.0000 0.0000 34467.4523 -149008.6219 301.0128 -183476.0741 -148911.0471 299.3465 217.9293 252.7793 556688.6884 3.0040 3.1337 PRESSURE: 3501600 -74.5082 -196.314 -233.191 -196.314 133.93 60.8489 -233.191 60.848 -5.693 GPRESSURE: 3501600 -34.6069 -266.573 -224.624 -159.673 131.952 21.5214 -270.246 121.594 42.6987 PRESSAVG: 3501600 -24.8877 -25.2485 -64.1717 -25.2484 18.4768 42.8467 -64.1716 42.8466 41.358 GPRESSAVG: 3501600 -25.1133 -23.1789 -65.3131 -27.0007 18.1693 41.2901 -65.502 45.0743 41.4862 TIMING: 3501600 CPU: 10476.6, 0.00301464/step Wall: 10476.6, 0.00301464/step, 1.25476 hours remaining, 207.136719 MB of memory in use. ENERGY: 3501600 755.0745 2119.6274 1954.8562 114.8251 -206037.9264 17896.1136 0.0000 0.0000 34128.8204 -149068.6093 298.0555 -183197.4297 -148974.9285 299.9254 17.9096 46.6813 558316.1258 11.6490 11.5141 PRESSURE: 3501800 -3.63042 67.8509 40.5057 67.8508 -154.587 -17.4122 40.5055 -17.4118 -197.599 GPRESSURE: 3501800 -17.4624 27.0973 76.6893 36.6385 -106.096 -86.2156 79.5311 12.9274 -143.395 PRESSAVG: 3501800 27.0545 -33.5573 -28.9577 -33.5573 -33.8686 -22.3693 -28.9576 -22.3694 12.3089 GPRESSAVG: 3501800 27.5091 -34.5347 -25.6402 -30.4974 -34.8275 -20.3384 -29.334 -23.5721 13.17 TIMING: 3501800 CPU: 10477.2, 0.00301122/step Wall: 10477.2, 0.00301122/step, 1.25317 hours remaining, 207.136719 MB of memory in use. ENERGY: 3501800 739.3756 2082.2041 1937.9252 106.3787 -205766.8632 17629.2909 0.0000 0.0000 34195.1746 -149076.5141 298.6350 -183271.6887 -148975.3503 299.0233 -118.6055 -88.9845 558380.2347 1.8316 1.9505 PRESSURE: 3502000 -6.22783 -32.1583 -78.3437 -32.1585 1.83841 45.5987 -78.3435 45.5978 -78.4462 GPRESSURE: 3502000 -46.5683 -54.0906 -24.9323 28.5013 31.1948 -4.35222 -133.184 82.5008 25.4048 PRESSAVG: 3502000 22.7671 -31.3108 25.289 -31.3107 -29.1233 29.9849 25.289 29.9849 7.26878 GPRESSAVG: 3502000 23.0091 -30.5074 24.5507 -33.1762 -30.3011 28.3766 26.8574 30.8281 7.9328 TIMING: 3502000 CPU: 10477.8, 0.00303919/step Wall: 10477.8, 0.00303919/step, 1.26464 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: 3502000 749.0149 2128.9965 1917.5223 121.6847 -206142.1172 17962.8042 0.0000 0.0000 34250.5844 -149011.5102 299.1189 -183262.0946 -148907.3156 299.0859 -27.6119 3.3438 558824.8882 0.3042 0.2136 PRESSURE: 3502200 53.4064 -53.5438 -195.265 -53.5447 96.6266 -14.5209 -195.266 -14.5218 -143.456 GPRESSURE: 3502200 53.5794 -57.0028 -191.424 -88.7716 146.155 36.4388 -247.415 27.4264 -92.9962 PRESSAVG: 3502200 -45.9444 10.8053 10.8721 10.8053 58.4139 35.7171 10.8721 35.7171 -3.78857 GPRESSAVG: 3502200 -45.4458 10.8843 9.9663 11.153 59.4479 36.2913 9.24076 34.2447 -4.91854 TIMING: 3502200 CPU: 10478.5, 0.00305162/step Wall: 10478.5, 0.00305162/step, 1.26964 hours remaining, 207.136719 MB of memory in use. ENERGY: 3502200 723.3194 2077.8374 1936.7591 122.2465 -206070.5902 17829.9578 0.0000 0.0000 34224.8219 -149155.6483 298.8939 -183380.4702 -149060.8382 299.3106 2.1924 35.5794 558286.6872 2.8936 3.0278 PRESSURE: 3502400 93.2897 -55.6816 181.62 -55.6807 -38.7954 243.669 181.62 243.669 -73.2814 GPRESSURE: 3502400 122.262 -17.2016 123.564 -83.7151 -8.46496 186.65 216.073 242.116 -26.0636 PRESSAVG: 3502400 29.5819 -32.1804 -42.4981 -32.1803 20.7642 33.3273 -42.4981 33.3273 -42.0991 GPRESSAVG: 3502400 28.7799 -31.6395 -43.6866 -33.5923 20.9295 32.8531 -40.334 34.3699 -41.8605 TIMING: 3502400 CPU: 10479.1, 0.00306037/step Wall: 10479.1, 0.00306037/step, 1.27311 hours remaining, 207.136719 MB of memory in use. ENERGY: 3502400 741.5553 2122.2716 1934.8522 102.3178 -206157.6189 17754.0451 0.0000 0.0000 34375.1455 -149127.4314 300.2067 -183502.5769 -149030.6441 300.0258 -6.2624 29.2446 557333.0231 2.7490 2.6163 PRESSURE: 3502600 231.155 112.543 127.498 112.544 34.1378 -57.099 127.499 -57.0989 -7.15206 GPRESSURE: 3502600 240.651 53.9726 86.3598 223.567 64.3611 -45.119 72.8787 -14.0124 68.263 PRESSAVG: 3502600 -19.302 18.7679 -19.353 18.7679 31.7805 7.84022 -19.353 7.8403 -2.83687 GPRESSAVG: 3502600 -19.6576 18.1072 -20.9366 21.2404 32.0825 8.39647 -18.7357 6.60544 -2.61357 TIMING: 3502600 CPU: 10479.7, 0.00307124/step Wall: 10479.7, 0.00307124/step, 1.27746 hours remaining, 207.136719 MB of memory in use. ENERGY: 3502600 743.1400 2047.5790 1938.1353 118.3720 -206016.4127 17924.0341 0.0000 0.0000 34088.0300 -149157.1222 297.6992 -183245.1522 -149060.3248 298.5369 86.0469 124.4250 558744.9265 3.2139 3.2704 PRESSURE: 3502800 66.5564 45.6576 -168.42 45.6581 40.2648 120.576 -168.422 120.577 -16.4221 GPRESSURE: 3502800 152.155 46.628 -137.125 36.6457 45.4012 88.7691 -143.553 37.378 2.26196 PRESSAVG: 3502800 12.6721 16.1498 -19.837 16.1498 -22.5931 27.1572 -19.837 27.1571 12.99 GPRESSAVG: 3502800 12.7065 15.5669 -18.6145 16.8052 -22.4648 26.273 -21.9748 27.6476 13.0297 TIMING: 3502800 CPU: 10480.3, 0.00304226/step Wall: 10480.3, 0.00304226/step, 1.26524 hours remaining, 207.136719 MB of memory in use. ENERGY: 3502800 750.9771 2095.0534 1913.0525 112.1263 -206402.2328 17968.4866 0.0000 0.0000 34229.2111 -149333.3257 298.9322 -183562.5369 -149238.7515 298.6071 30.1330 66.6061 558495.3392 1.0230 1.0905 PRESSURE: 3503000 -140.787 -21.6252 -101.46 -21.6254 -159.045 0.480127 -101.459 0.478334 145.219 GPRESSURE: 3503000 -129.666 -101.466 -117.322 37.449 -100.272 -0.200501 -38.0622 53.5199 168.847 PRESSAVG: 3503000 13.8123 55.9922 -39.567 55.9922 13.7163 -12.8698 -39.5669 -12.8697 -1.15145 GPRESSAVG: 3503000 13.608 58.0037 -39.5916 53.6703 14.1421 -13.5139 -38.7856 -12.4986 -1.59535 TIMING: 3503000 CPU: 10480.9, 0.00305107/step Wall: 10480.9, 0.00305107/step, 1.26874 hours remaining, 207.136719 MB of memory in use. ENERGY: 3503000 725.9145 2135.3733 1948.1306 109.7185 -205906.0777 17708.7039 0.0000 0.0000 33961.4589 -149316.7781 296.5939 -183278.2370 -149219.4725 298.4195 -51.5378 -20.3636 558923.7206 8.7924 8.7182 PRESSURE: 3503200 113.1 53.4822 57.1804 53.4832 -173.058 411.433 57.1803 411.434 -160.784 GPRESSURE: 3503200 181.719 47.0353 105.241 20.0784 -163.548 382.41 -48.6767 400.074 -144.236 PRESSAVG: 3503200 30.7095 -8.68079 -32.1145 -8.68086 44.4877 67.95 -32.1145 67.9501 -67.1172 GPRESSAVG: 3503200 30.4607 -9.91648 -31.1125 -7.53737 44.4315 67.8007 -32.3068 68.9889 -66.9632 TIMING: 3503200 CPU: 10481.5, 0.00307594/step Wall: 10481.5, 0.00307594/step, 1.27891 hours remaining, 207.136719 MB of memory in use. ENERGY: 3503200 750.2087 2139.2621 1934.2435 97.7190 -206240.8973 17686.9342 0.0000 0.0000 34253.7612 -149378.7686 299.1466 -183632.5298 -149289.9449 298.0181 -73.5806 -42.0216 558445.0614 2.6933 2.6430 PRESSURE: 3503400 -29.6884 41.2497 -152.279 41.2501 -48.7502 67.5384 -152.279 67.5398 -99.4032 GPRESSURE: 3503400 24.3019 15.414 -178.586 73.159 -65.8568 69.1998 -171.015 35.4994 -62.3042 PRESSAVG: 3503400 88.0612 -9.5288 6.82586 -9.52885 -50.2015 9.28979 6.82588 9.28978 -75.165 GPRESSAVG: 3503400 89.1969 -7.91987 7.23645 -9.32972 -50.3551 11.1832 6.5596 8.21481 -75.7932 TIMING: 3503400 CPU: 10482.1, 0.00306083/step Wall: 10482.1, 0.00306083/step, 1.27245 hours remaining, 207.136719 MB of memory in use. ENERGY: 3503400 725.3569 2111.9724 1937.6996 114.9704 -206271.6175 17721.0402 0.0000 0.0000 34286.4326 -149374.1454 299.4319 -183660.5780 -149277.6791 298.1520 -59.2806 -34.6197 558973.9838 -12.4351 -12.3172 PRESSURE: 3503600 35.1985 147.541 -6.15538 147.542 -168.084 -15.6795 -6.15616 -15.6788 -29.3202 GPRESSURE: 3503600 51.7829 116.718 13.2612 124.598 -163.074 -7.04957 -22.8533 21.2585 44.9328 PRESSAVG: 3503600 34.1424 -10.755 -46.5855 -10.755 32.9211 20.755 -46.5855 20.755 -8.42044 GPRESSAVG: 3503600 34.1503 -11.5327 -47.6938 -12.7982 33.1535 20.6578 -46.8448 20.388 -8.47966 TIMING: 3503600 CPU: 10482.7, 0.00303253/step Wall: 10482.7, 0.00303253/step, 1.26052 hours remaining, 207.136719 MB of memory in use. ENERGY: 3503600 728.4849 2153.1112 1914.4783 112.5296 -205847.2686 17510.5479 0.0000 0.0000 34178.8653 -149249.2515 298.4925 -183428.1168 -149151.2253 299.3086 -54.0685 -22.1194 557569.8172 19.5477 19.6080 PRESSURE: 3503800 60.5588 167.661 -53.635 167.661 -200.596 -63.0094 -53.6355 -63.0065 -24.038 GPRESSURE: 3503800 59.2476 46.7896 -85.9292 252.659 -174.186 -3.2265 12.1053 -86.1853 50.6502 PRESSAVG: 3503800 -17.1195 58.3023 -3.03311 58.3024 9.22696 13.6062 -3.03322 13.6061 -23.8756 GPRESSAVG: 3503800 -17.4071 58.2948 -3.95752 59.6555 8.98894 13.8951 -1.87602 13.2123 -23.0109 TIMING: 3503800 CPU: 10483.3, 0.0030473/step Wall: 10483.3, 0.0030473/step, 1.26649 hours remaining, 207.136719 MB of memory in use. ENERGY: 3503800 737.6173 2115.0359 1947.8457 110.1857 -206035.4551 17663.2621 0.0000 0.0000 34240.2134 -149221.2949 299.0283 -183461.5084 -149125.7313 299.2140 -54.6919 -21.4295 558639.0566 -10.5894 -10.4763 PRESSURE: 3504000 33.5359 -149.683 -66.3563 -149.683 20.8409 153.833 -66.3566 153.831 77.8055 GPRESSURE: 3504000 24.015 -148.005 -65.6611 -210.025 68.694 199.497 -92.6358 169.971 134.384 PRESSAVG: 3504000 39.1236 6.94978 -69.7438 6.94975 61.9828 -11.5676 -69.7438 -11.5676 -76.5306 GPRESSAVG: 3504000 38.9538 6.88562 -69.2442 7.42801 62.4249 -13.1416 -68.6054 -10.1451 -76.7941 TIMING: 3504000 CPU: 10484, 0.00303451/step Wall: 10484, 0.00303451/step, 1.26101 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: 3504000 764.9176 2116.3532 1931.6510 95.7830 -206225.7813 17894.7423 0.0000 0.0000 34048.7599 -149373.5744 297.3563 -183422.3342 -149280.9838 299.0054 44.0608 75.6977 558003.3337 8.1919 8.1948 PRESSURE: 3504200 -48.4679 -45.2659 -88.3026 -45.2663 55.0992 92.9747 -88.3017 92.9752 53.3665 GPRESSURE: 3504200 30.0837 57.6068 -110.924 -60.6857 103.175 39.3076 -115.461 91.3918 9.48054 PRESSAVG: 3504200 29.0835 -41.6161 -25.1625 -41.6159 32.16 60.4325 -25.1626 60.4324 -70.035 GPRESSAVG: 3504200 28.7561 -41.761 -25.611 -41.6023 32.6813 60.806 -25.4382 59.9756 -70.6564 TIMING: 3504200 CPU: 10484.6, 0.00302733/step Wall: 10484.6, 0.00302733/step, 1.25785 hours remaining, 207.136719 MB of memory in use. ENERGY: 3504200 742.6169 2110.4326 1953.2835 116.7199 -206436.7553 17881.0133 0.0000 0.0000 34197.0142 -149435.6749 298.6510 -183632.6891 -149332.0450 298.5936 19.9993 47.5796 556873.0770 -2.9305 -3.0730 LDB: ============= START OF LOAD BALANCING ============== 10488 LDB: ============== END OF LOAD BALANCING =============== 10488 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10488 LDB: ============= START OF LOAD BALANCING ============== 10488.3 LDB: Largest compute 4820 load 0.024575 is 20.8% of average load 0.118125 LDB: Average compute 0.001713 is 1.5% of average load 0.118125 LDB: TIME 10488.3 LOAD: AVG 0.118125 MAX 0.222736 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.504 MB LDB: TIME 10488.3 LOAD: AVG 0.118125 MAX 0.222736 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.578 MB LDB: TIME 10488.3 LOAD: AVG 0.118125 MAX 0.222736 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.578 MB LDB: ============== END OF LOAD BALANCING =============== 10488.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10488.3 PRESSURE: 3504400 -142.697 -9.08138 -54.8027 -9.08087 -76.8994 76.0323 -54.8032 76.0317 25.5022 GPRESSURE: 3504400 -137.36 -107.467 -66.0237 45.4055 -48.8986 32.4037 -75.5844 114.327 67.3241 PRESSAVG: 3504400 89.3075 5.60076 7.31875 5.6007 -43.2274 -1.20078 7.31874 -1.20064 -44.584 GPRESSAVG: 3504400 89.2814 6.28437 6.53344 5.33804 -43.6414 0.404253 6.9689 -2.39672 -44.4866 TIMING: 3504400 CPU: 10485.2, 0.00310446/step Wall: 10485.2, 0.00310446/step, 1.28973 hours remaining, 207.015625 MB of memory in use. ENERGY: 3504400 744.8635 2186.0724 1928.1684 116.9097 -206239.1655 17779.0386 0.0000 0.0000 34163.8524 -149320.2604 298.3614 -183484.1128 -149225.9112 297.9729 -64.6982 -39.6448 557627.6372 0.4987 0.3845 PRESSURE: 3504600 33.65 -132.302 3.18053 -132.302 -291.938 54.1934 3.18054 54.1931 -146.787 GPRESSURE: 3504600 -10.3044 -154.796 44.6896 -149.262 -265.621 -41.0273 -29.9654 139.337 -34.862 PRESSAVG: 3504600 59.805 0.575437 -68.4241 0.575487 -37.2045 31.3686 -68.424 31.3685 6.69754 GPRESSAVG: 3504600 59.9656 0.175753 -66.0559 1.06328 -37.9994 27.9791 -69.9235 33.8926 7.42405 TIMING: 3504600 CPU: 10485.8, 0.00307616/step Wall: 10485.8, 0.00307616/step, 1.2778 hours remaining, 207.476562 MB of memory in use. ENERGY: 3504600 774.5059 2117.7451 1945.6199 108.1585 -206308.3324 17829.4248 0.0000 0.0000 34160.0170 -149372.8612 298.3279 -183532.8782 -149277.1653 298.2886 -135.0250 -103.5957 557533.7577 9.7660 9.7968 PRESSURE: 3504800 14.4961 156.619 -65.4986 156.618 150.693 94.7192 -65.4992 94.7185 -279.887 GPRESSURE: 3504800 45.6219 114.146 60.6922 76.1604 166.613 77.2986 -233.004 121.913 -240.793 PRESSAVG: 3504800 -27.2131 36.7104 -30.268 36.7102 2.54628 55.6898 -30.268 55.6899 9.73043 GPRESSAVG: 3504800 -26.4353 37.5842 -33.8014 35.8915 2.96256 57.8672 -26.1189 54.9299 8.38591 TIMING: 3504800 CPU: 10486.4, 0.00305538/step Wall: 10486.4, 0.00305538/step, 1.269 hours remaining, 207.476562 MB of memory in use. ENERGY: 3504800 762.5162 2135.5693 1931.0411 112.2674 -206511.4423 17900.9849 0.0000 0.0000 34210.3732 -149458.6901 298.7677 -183669.0633 -149359.2809 298.7972 -38.2328 -9.5194 558719.0297 -4.9788 -5.0290 PRESSURE: 3505000 -161.791 53.9916 99.6994 53.992 -225.768 -15.9767 99.7001 -15.9784 -307.368 GPRESSURE: 3505000 -111.355 21.5824 101.587 60.6678 -187.173 -50.1333 50.3799 54.6033 -288.693 PRESSAVG: 3505000 -3.18403 37.5051 -46.9117 37.505 59.8867 54.2327 -46.9117 54.2327 -66.2392 GPRESSAVG: 3505000 -3.771 37.9404 -44.2341 37.1511 59.5746 55.2685 -50.6827 54.1282 -65.2422 TIMING: 3505000 CPU: 10487, 0.00308808/step Wall: 10487, 0.00308808/step, 1.28241 hours remaining, 207.476562 MB of memory in use. ENERGY: 3505000 751.3130 2078.8729 1920.5905 113.8345 -206477.5199 17830.8694 0.0000 0.0000 34122.5928 -149659.4467 298.0011 -183782.0396 -149561.7141 298.1752 -231.6423 -195.7403 560185.6069 -3.1788 -3.1462 PRESSURE: 3505200 26.2563 -48.4495 -27.4535 -48.4503 109.971 -192.716 -27.4529 -192.717 46.9661 GPRESSURE: 3505200 68.1009 -56.1834 -139.841 -87.5782 128.175 -206.788 20.5143 -131.727 74.9625 PRESSAVG: 3505200 -39.3034 23.8383 19.1609 23.8384 -0.0358618 9.7481 19.1609 9.74815 7.09586 GPRESSAVG: 3505200 -39.6835 21.9031 18.7314 24.9053 1.60457 8.6574 19.3741 10.9562 5.90055 TIMING: 3505200 CPU: 10487.6, 0.00306595/step Wall: 10487.6, 0.00306595/step, 1.27305 hours remaining, 207.476562 MB of memory in use. ENERGY: 3505200 745.8696 2080.8987 1878.3380 110.7229 -206652.3472 17949.5510 0.0000 0.0000 34313.3202 -149573.6468 299.6668 -183886.9670 -149470.0075 297.6636 61.0644 90.4129 556557.0825 -10.7478 -10.7261 PRESSURE: 3505400 204.903 132.359 -40.9618 132.359 48.0611 161.906 -40.9614 161.906 -140.561 GPRESSURE: 3505400 210.216 178.386 -35.0548 77.0508 -5.07065 133.711 -32.0795 114.378 22.4766 PRESSAVG: 3505400 13.2335 23.7973 8.84915 23.7973 7.4908 49.6057 8.8492 49.6056 2.98274 GPRESSAVG: 3505400 14.0073 25.8131 8.06005 22.5982 5.22622 49.9173 11.7007 47.6309 4.79534 TIMING: 3505400 CPU: 10488.2, 0.00306895/step Wall: 10488.2, 0.00306895/step, 1.27412 hours remaining, 207.476562 MB of memory in use. ENERGY: 3505400 743.3819 2141.4921 1925.4909 118.3866 -206602.6535 18088.3399 0.0000 0.0000 34179.6157 -149405.9464 298.4991 -183585.5621 -149310.0870 298.6776 37.4677 75.8740 557660.3212 7.9023 8.0096 PRESSURE: 3505600 -114.624 3.30074 -101.931 3.30025 -36.9361 -16.8159 -101.931 -16.817 -199.625 GPRESSURE: 3505600 -44.9878 35.1703 -59.6378 11.1485 -2.7448 -62.4157 -166.487 21.9188 -204.412 PRESSAVG: 3505600 5.42242 73.3847 6.62359 73.3846 29.882 9.91925 6.62363 9.91927 -19.8696 GPRESSAVG: 3505600 5.65982 73.3354 8.86283 72.6083 31.2266 10.5586 3.31634 10.3085 -21.1067 TIMING: 3505600 CPU: 10488.9, 0.00305692/step Wall: 10488.9, 0.00305692/step, 1.26896 hours remaining, 207.476562 MB of memory in use. ENERGY: 3505600 803.4064 2059.4664 1908.8763 116.8132 -206314.2224 17792.7458 0.0000 0.0000 34182.1572 -149450.7571 298.5213 -183632.9143 -149355.4870 298.6240 -117.0617 -84.0482 557021.4273 5.1449 5.2599 PRESSURE: 3505800 127.353 -89.0193 114.538 -89.0193 -62.7165 -107.133 114.538 -107.134 -64.2215 GPRESSURE: 3505800 147.204 -102.336 199.386 -79.3327 -17.0605 -146.823 69.45 4.7829 -31.0866 PRESSAVG: 3505800 89.1544 -26.6621 41.0112 -26.6621 -3.89412 21.7087 41.0112 21.7087 -46.5069 GPRESSAVG: 3505800 88.9351 -26.1135 40.17 -26.4982 -4.32327 21.2459 41.1634 20.6056 -46.29 TIMING: 3505800 CPU: 10489.5, 0.00305721/step Wall: 10489.5, 0.00305721/step, 1.26891 hours remaining, 207.476562 MB of memory in use. ENERGY: 3505800 731.0002 2086.9148 1918.0920 102.9446 -206350.7562 17861.8814 0.0000 0.0000 34322.4888 -149327.4343 299.7468 -183649.9231 -149234.9854 297.7518 0.1382 33.0190 557971.6640 12.9178 12.7740 PRESSURE: 3506000 52.8829 24.543 -129.197 24.5439 -308.285 5.41006 -129.196 5.4086 -305.188 GPRESSURE: 3506000 32.0598 -3.63817 -69.5239 38.5737 -271.419 63.8945 -168.477 -97.8096 -227.15 PRESSAVG: 3506000 31.5287 -48.8313 -37.5898 -48.8312 18.513 -63.4578 -37.5898 -63.4577 -39.8147 GPRESSAVG: 3506000 30.6948 -49.7766 -36.3712 -49.5374 19.5907 -61.7394 -39.9503 -63.6594 -39.394 TIMING: 3506000 CPU: 10490.1, 0.00307061/step Wall: 10490.1, 0.00307061/step, 1.2743 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: 3506000 786.9207 2075.0194 1949.7015 113.8610 -206290.0192 17779.1037 0.0000 0.0000 34311.7016 -149273.7113 299.6526 -183585.4129 -149174.3604 299.7044 -186.8634 -155.5031 557388.4149 3.4090 3.6305 PRESSURE: 3506200 27.6032 -91.2 132.601 -91.199 -0.560266 110.835 132.6 110.836 245.102 GPRESSURE: 3506200 70.3252 -64.4115 21.3758 -69.1425 22.9792 114.235 179.697 163.599 268.26 PRESSAVG: 3506200 47.4268 0.974535 -4.60169 0.974639 -7.99391 0.865263 -4.60177 0.865325 -6.06443 GPRESSAVG: 3506200 48.4319 1.98857 -5.38849 0.631743 -9.42561 -0.0645675 -1.56021 2.01268 -5.6025 TIMING: 3506200 CPU: 10490.7, 0.00310302/step Wall: 10490.7, 0.00310302/step, 1.28758 hours remaining, 207.476562 MB of memory in use. ENERGY: 3506200 716.4943 2140.6140 1942.2030 105.2156 -206601.6695 18100.6880 0.0000 0.0000 34207.0107 -149389.4441 298.7383 -183596.4547 -149290.7957 299.2953 90.7150 120.5214 558461.1501 11.1228 11.1346 PRESSURE: 3506400 -77.6717 -0.0440535 107.753 -0.044721 73.5485 110.245 107.753 110.246 59.3176 GPRESSURE: 3506400 -49.081 -15.5866 91.6058 -54.33 101.165 83.3156 57.2985 96.0965 96.9645 PRESSAVG: 3506400 -28.1396 -4.65431 -8.00258 -4.65423 53.8457 32.2925 -8.00255 32.2925 3.42458 GPRESSAVG: 3506400 -28.0428 -5.23981 -8.24275 -3.18099 53.637 33.747 -8.44601 31.0551 3.78991 TIMING: 3506400 CPU: 10491.3, 0.00306008/step Wall: 10491.3, 0.00306008/step, 1.26959 hours remaining, 207.476562 MB of memory in use. ENERGY: 3506400 771.0440 2117.5180 1924.2977 123.0163 -206330.4030 17904.2409 0.0000 0.0000 34220.6583 -149269.6278 298.8575 -183490.2860 -149175.3882 299.2123 18.3982 49.6827 557912.0614 9.7102 9.7947 PRESSURE: 3506600 -109.746 66.8537 -27.2833 66.8543 70.7339 -120.788 -27.2829 -120.789 -314.661 GPRESSURE: 3506600 -52.8393 37.659 -69.7335 95.4537 66.6294 -67.6852 -40.37 -38.9258 -274.772 PRESSAVG: 3506600 16.6425 72.2551 -16.1061 72.255 68.8743 33.2921 -16.1061 33.2921 -81.3057 GPRESSAVG: 3506600 16.1604 71.8883 -18.5864 72.3344 69.8224 33.8355 -16.4451 34.9481 -81.7481 TIMING: 3506600 CPU: 10491.9, 0.00311909/step Wall: 10491.9, 0.00311909/step, 1.2939 hours remaining, 207.476562 MB of memory in use. ENERGY: 3506600 706.9838 2106.0193 1934.0201 105.5584 -205902.9521 17689.1058 0.0000 0.0000 34170.6739 -149190.5908 298.4210 -183361.2647 -149088.7919 298.9475 -117.8910 -86.9940 557812.8436 1.4037 1.4116 PRESSURE: 3506800 21.1589 129.396 -82.7464 129.396 -88.0313 -82.7571 -82.7464 -82.7557 -99.2894 GPRESSURE: 3506800 -36.9168 156.46 -59.5666 83.949 -7.20681 -66.6926 -154.865 -59.1502 -26.9602 PRESSAVG: 3506800 -5.58547 47.7409 -23.5382 47.741 33.5214 -36.9538 -23.5383 -36.9538 -24.4164 GPRESSAVG: 3506800 -5.57482 49.1431 -22.9718 47.3538 32.3548 -38.8164 -23.6012 -37.7882 -23.5723 TIMING: 3506800 CPU: 10492.6, 0.00309594/step Wall: 10492.6, 0.00309594/step, 1.28413 hours remaining, 207.476562 MB of memory in use. ENERGY: 3506800 750.2240 2077.1530 1956.4356 125.0010 -205946.5441 17647.3062 0.0000 0.0000 34212.7119 -149177.7124 298.7881 -183390.4242 -149083.7790 299.3604 -55.3873 -23.6946 558204.1177 1.1732 1.0692 PRESSURE: 3507000 18.6013 -168.416 -44.119 -168.415 -21.5595 32.2825 -44.119 32.2836 -5.82629 GPRESSURE: 3507000 -7.70052 -149.591 -95.0909 -113.775 17.0481 143.178 -76.4466 -4.79242 77.8158 PRESSAVG: 3507000 17.7881 26.6582 -36.312 26.6581 -45.5232 26.1858 -36.3121 26.1859 8.62265 GPRESSAVG: 3507000 16.5508 25.437 -36.1598 27.4851 -42.1391 25.7669 -37.423 28.1233 6.61138 TIMING: 3507000 CPU: 10493.2, 0.00308136/step Wall: 10493.2, 0.00308136/step, 1.27791 hours remaining, 207.531250 MB of memory in use. ENERGY: 3507000 732.1320 2131.6133 1936.7840 112.4243 -205727.8844 17537.6011 0.0000 0.0000 34198.1288 -149079.2010 298.6608 -183277.3297 -148981.5873 298.9203 -2.9282 29.0545 556971.1204 -6.3708 -6.3257 PRESSURE: 3507200 -176.47 -42.3875 12.5115 -42.3874 -159.858 123.49 12.5121 123.49 -212.194 GPRESSURE: 3507200 -158.698 -63.0261 -36.1114 -36.3479 -136.422 204.653 104.889 108.378 -175.591 PRESSAVG: 3507200 -45.9631 35.3026 2.81432 35.3026 25.9019 52.6719 2.81427 52.6719 14.8681 GPRESSAVG: 3507200 -46.0719 34.0387 4.72181 35.0071 23.1087 52.5393 3.54826 51.7651 16.874 TIMING: 3507200 CPU: 10493.8, 0.00307833/step Wall: 10493.8, 0.00307833/step, 1.27648 hours remaining, 207.531250 MB of memory in use. ENERGY: 3507200 756.6941 2137.4878 1930.8442 109.5784 -205794.1077 17447.0821 0.0000 0.0000 34430.8981 -148981.5230 300.6936 -183412.4211 -148885.7496 299.8095 -182.8407 -156.9034 558112.1517 -1.7310 -2.0297 PRESSURE: 3507400 -147.09 -66.898 -60.6681 -66.8985 205.046 78.2497 -60.6687 78.2496 286.454 GPRESSURE: 3507400 -124.921 -65.5413 -110.524 -30.6469 267.709 -24.7324 -101.099 135.371 287.792 PRESSAVG: 3507400 15.9009 43.2615 6.60834 43.2614 -48.36 50.9153 6.60833 50.9153 55.0914 GPRESSAVG: 3507400 16.1094 44.0402 5.106 44.3684 -47.0638 52.1458 5.34938 51.2042 53.8385 TIMING: 3507400 CPU: 10494.4, 0.00305684/step Wall: 10494.4, 0.00305684/step, 1.2674 hours remaining, 207.531250 MB of memory in use. ENERGY: 3507400 751.1937 2095.5703 1938.1998 110.4177 -205899.8826 17970.4379 0.0000 0.0000 34088.1379 -148945.9253 297.7002 -183034.0632 -148851.6106 299.4662 114.8032 143.5266 558201.4072 7.5441 7.6280 PRESSURE: 3507600 -271.935 35.7043 -44.1937 35.7041 36.3342 -23.0197 -44.1938 -23.0188 -5.06301 GPRESSURE: 3507600 -238.364 109.148 -85.1567 48.2581 99.8898 15.6783 -7.07095 16.3237 13.5373 PRESSAVG: 3507600 5.60092 42.6988 28.959 42.6987 -22.2893 -3.39158 28.9591 -3.39148 18.2139 GPRESSAVG: 3507600 5.86372 42.7187 28.6236 40.8014 -22.3486 -3.00481 30.0788 -4.52606 18.6503 TIMING: 3507600 CPU: 10495, 0.00308405/step Wall: 10495, 0.00308405/step, 1.27851 hours remaining, 207.531250 MB of memory in use. ENERGY: 3507600 779.9413 2111.0376 1920.3556 121.2783 -206605.3271 17947.6558 0.0000 0.0000 34572.0311 -149153.0274 301.9261 -183725.0586 -149056.3282 300.1405 -80.2213 -41.6456 556706.7008 0.5085 0.7218 PRESSURE: 3507800 20.9584 -82.1066 105.311 -82.1079 -91.9329 -47.6233 105.311 -47.6231 -1.44566 GPRESSURE: 3507800 44.4856 -110.536 102.359 -90.6994 -84.314 -20.4751 44.2862 -70.157 70.4893 PRESSAVG: 3507800 -22.0498 37.0431 34.4215 37.043 13.5245 -16.7666 34.4214 -16.7666 -60.7927 GPRESSAVG: 3507800 -21.7163 37.4951 36.0002 38.7637 12.3532 -16.4895 33.7243 -15.5988 -60.9243 TIMING: 3507800 CPU: 10495.6, 0.00304471/step Wall: 10495.6, 0.00304471/step, 1.26203 hours remaining, 207.531250 MB of memory in use. ENERGY: 3507800 785.3979 2104.5530 1942.1548 111.0056 -205950.8464 17766.2059 0.0000 0.0000 34267.7411 -148973.7882 299.2687 -183241.5293 -148875.0227 299.7315 -24.1401 10.2203 558272.6586 -23.1060 -23.4291 PRESSURE: 3508000 362.891 -102.598 309.542 -102.598 197.977 29.6734 309.542 29.6735 168.48 GPRESSURE: 3508000 299.583 -149.829 306.709 -115.112 300.251 181.232 255.669 -60.0973 221.443 PRESSAVG: 3508000 -64.2126 4.07049 -22.3057 4.07046 49.1645 -4.65606 -22.3058 -4.65596 19.5147 GPRESSAVG: 3508000 -64.1564 6.20993 -24.2251 1.97845 48.2986 -6.57754 -22.264 -5.28391 20.2908 TIMING: 3508000 CPU: 10496.2, 0.00302054/step Wall: 10496.2, 0.00302054/step, 1.25185 hours remaining, 207.531250 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: 3508000 718.2400 2077.3797 1967.9894 113.7854 -206272.1112 17945.6078 0.0000 0.0000 34547.9429 -148901.1660 301.7158 -183449.1089 -148804.1672 299.6821 243.1161 273.7590 555697.3092 1.4889 1.4776 PRESSURE: 3508200 109.862 75.6041 -94.9521 75.6035 152.968 -28.6957 -94.9521 -28.6964 98.8377 GPRESSURE: 3508200 119.501 -30.6727 -69.3559 197.276 189.807 32.4363 -169.218 -67.5409 161.458 PRESSAVG: 3508200 -55.5306 -15.5612 9.05531 -15.5612 17.3896 -21.7402 9.05524 -21.7403 13.2108 GPRESSAVG: 3508200 -55.3814 -15.8789 12.3462 -14.9122 18.0722 -17.0737 8.95298 -22.8801 13.0736 TIMING: 3508200 CPU: 10496.8, 0.00302174/step Wall: 10496.8, 0.00302174/step, 1.25218 hours remaining, 207.531250 MB of memory in use. ENERGY: 3508200 739.9527 2082.5809 1930.5646 106.6166 -206046.8336 17931.4199 0.0000 0.0000 34084.9027 -149170.7963 297.6719 -183255.6989 -149077.0644 299.4737 120.5559 156.9222 556672.5511 -8.3100 -8.0785 LDB: ============= START OF LOAD BALANCING ============== 10500.3 LDB: ============== END OF LOAD BALANCING =============== 10500.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10500.3 LDB: ============= START OF LOAD BALANCING ============== 10500.6 LDB: Largest compute 4820 load 0.025094 is 21.3% of average load 0.118034 LDB: Average compute 0.001719 is 1.5% of average load 0.118034 LDB: TIME 10500.6 LOAD: AVG 0.118034 MAX 0.220077 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.715 MB LDB: TIME 10500.6 LOAD: AVG 0.118034 MAX 0.220077 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.777 MB LDB: TIME 10500.6 LOAD: AVG 0.118034 MAX 0.220077 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10500.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10500.6 PRESSURE: 3508400 -222.975 19.7707 -32.7263 19.7722 -20.1052 108.311 -32.7255 108.31 22.8021 GPRESSURE: 3508400 -192.72 -25.973 5.98807 149.215 8.368 90.3557 -58.5998 -0.287992 48.3168 PRESSAVG: 3508400 -44.0093 29.46 -13.5729 29.46 2.05508 -16.8816 -13.5728 -16.8817 -1.0399 GPRESSAVG: 3508400 -43.4899 30.5335 -16.6157 29.8858 2.47333 -20.5987 -11.251 -15.9645 -2.06538 TIMING: 3508400 CPU: 10497.5, 0.00309558/step Wall: 10497.5, 0.00309558/step, 1.2826 hours remaining, 205.203125 MB of memory in use. ENERGY: 3508400 724.6814 2073.0208 1946.3183 115.6211 -205971.5418 17779.5059 0.0000 0.0000 34176.0572 -149156.3370 298.4680 -183332.3942 -149059.7288 299.4448 -73.4260 -45.3451 558703.3655 -14.3314 -14.3607 PRESSURE: 3508600 -24.2434 18.3962 -142.99 18.3951 -232.547 -54.4902 -142.991 -54.4898 182 GPRESSURE: 3508600 -45.3317 50.6883 -150.42 -125.301 -170.056 -117.934 -156.307 41.3577 229.157 PRESSAVG: 3508600 21.193 67.0206 15.2538 67.0205 -78.0803 36.3931 15.254 36.3931 69.1005 GPRESSAVG: 3508600 20.0021 65.2558 16.1369 66.811 -78.0713 36.8468 13.3567 36.1552 70.0362 TIMING: 3508600 CPU: 10498.1, 0.00305847/step Wall: 10498.1, 0.00305847/step, 1.26706 hours remaining, 205.203125 MB of memory in use. ENERGY: 3508600 701.1498 2071.8398 1958.9558 114.6433 -205973.2721 17726.0302 0.0000 0.0000 34076.3445 -149324.3088 297.5972 -183400.6532 -149238.2431 298.5455 -24.9302 4.5897 559128.3995 4.0711 3.9890 PRESSURE: 3508800 -13.2926 46.6201 -105.349 46.6208 178.834 67.5909 -105.349 67.5904 83.7974 GPRESSURE: 3508800 8.91314 0.43991 -104.63 80.4563 215.958 34.6171 -94.2298 77.4443 118.41 PRESSAVG: 3508800 -80.7606 44.0644 -21.0727 44.0645 51.1425 11.5443 -21.0727 11.5444 29.4359 GPRESSAVG: 3508800 -80.0217 45.2614 -19.1834 44.6964 50.729 9.65911 -21.6505 12.3514 28.7099 TIMING: 3508800 CPU: 10498.7, 0.00303364/step Wall: 10498.7, 0.00303364/step, 1.2566 hours remaining, 205.203125 MB of memory in use. ENERGY: 3508800 771.0178 2061.5844 1947.3926 110.5571 -206596.9239 17973.6316 0.0000 0.0000 34398.6325 -149334.1081 300.4118 -183732.7406 -149238.8666 298.1652 83.1128 114.4271 556231.3449 -0.0608 -0.1943 PRESSURE: 3509000 -192.437 29.0054 102.839 29.0048 -144.157 14.6307 102.841 14.6313 -180.153 GPRESSURE: 3509000 -154.819 104.22 104.604 -24.3028 -139.247 88.209 76.4406 -31.2246 -136.105 PRESSAVG: 3509000 -31.0711 16.4741 11.4529 16.4742 59.0149 -35.7964 11.4528 -35.7964 -14.1288 GPRESSAVG: 3509000 -30.3841 14.3151 9.95928 17.0754 58.4871 -33.8846 13.289 -37.1803 -13.8924 TIMING: 3509000 CPU: 10499.3, 0.00305456/step Wall: 10499.3, 0.00305456/step, 1.2651 hours remaining, 205.203125 MB of memory in use. ENERGY: 3509000 730.9914 2068.2641 1929.4508 106.3338 -206127.3687 17633.5798 0.0000 0.0000 34398.9145 -149259.8344 300.4143 -183658.7490 -149157.9623 298.8741 -172.2492 -143.3903 557246.8837 4.6050 4.7368 PRESSURE: 3509200 69.0096 29.2706 42.1966 29.2698 -116.16 -93.2914 42.1959 -93.292 134.46 GPRESSURE: 3509200 90.5121 65.1789 88.744 -24.7485 -30.2935 -128.803 20.8759 -34.552 124.41 PRESSAVG: 3509200 -19.2898 44.8726 3.12178 44.8726 40.0568 -18.5416 3.12174 -18.5417 24.7873 GPRESSAVG: 3509200 -19.3236 46.0706 4.25501 42.9706 40.821 -17.3654 1.15884 -18.8242 24.411 TIMING: 3509200 CPU: 10499.9, 0.00301485/step Wall: 10499.9, 0.00301485/step, 1.24848 hours remaining, 205.203125 MB of memory in use. ENERGY: 3509200 715.1442 2126.8579 1937.3167 128.4456 -206398.8431 17963.1487 0.0000 0.0000 34243.6764 -149284.2537 299.0585 -183527.9300 -149190.6952 299.1632 29.1033 61.5429 557486.1349 15.1848 15.3028 PRESSURE: 3509400 74.0331 0.725689 23.165 0.72583 -46.8564 145.086 23.1642 145.088 -237.262 GPRESSURE: 3509400 88.0654 -18.0234 46.8532 42.1193 37.3918 141.171 13.8502 164.718 -226.409 PRESSAVG: 3509400 -54.2608 -32.6089 13.7735 -32.609 32.2255 -39.5484 13.7736 -39.5484 10.8926 GPRESSAVG: 3509400 -53.4374 -34.7636 13.4374 -31.8235 32.1093 -42.1644 13.5931 -36.1989 10.2873 TIMING: 3509400 CPU: 10500.5, 0.00302131/step Wall: 10500.5, 0.00302131/step, 1.25099 hours remaining, 205.203125 MB of memory in use. ENERGY: 3509400 732.4011 2123.2123 1930.5775 99.8429 -206073.5627 17672.7918 0.0000 0.0000 34136.6781 -149378.0589 298.1241 -183514.7370 -149282.9728 298.9059 -70.0284 -33.6505 557323.3447 -3.7142 -3.6803 PRESSURE: 3509600 28.2024 -16.1645 -34.8242 -16.1656 89.8595 49.9923 -34.8244 49.9942 -42.1326 GPRESSURE: 3509600 72.3084 -134.752 -66.4068 -2.73874 131.42 -1.25375 -44.682 77.9685 -23.0278 PRESSAVG: 3509600 17.2614 -12.1171 6.83263 -12.117 0.496432 29.4072 6.8325 29.4073 -23.7639 GPRESSAVG: 3509600 15.7104 -11.8215 4.88882 -12.1052 0.733861 32.5138 8.59659 25.9272 -21.9625 TIMING: 3509600 CPU: 10501.1, 0.00301078/step Wall: 10501.1, 0.00301078/step, 1.24646 hours remaining, 205.203125 MB of memory in use. ENERGY: 3509600 766.6405 2098.0321 1957.9892 121.8504 -206614.3729 17982.5948 0.0000 0.0000 34255.6745 -149431.5915 299.1633 -183687.2660 -149328.8607 298.4638 25.3097 60.2336 557622.2164 -2.0020 -1.8394 PRESSURE: 3509800 40.4563 -97.3357 -21.8443 -97.3352 -211.895 137.759 -21.8454 137.761 -216.663 GPRESSURE: 3509800 78.8937 -29.4907 -63.5015 -92.2698 -183.523 96.7416 39.4854 48.0603 -190.4 PRESSAVG: 3509800 -18.2485 16.7756 -55.1206 16.7757 -11.4132 43.6867 -55.1206 43.6866 25.0567 GPRESSAVG: 3509800 -17.6223 18.303 -54.9913 18.482 -11.9291 41.3999 -56.3649 44.3526 24.8161 TIMING: 3509800 CPU: 10501.7, 0.00303472/step Wall: 10501.7, 0.00303472/step, 1.25621 hours remaining, 205.203125 MB of memory in use. ENERGY: 3509800 727.4320 2090.9209 1946.6290 117.8285 -206314.5523 17705.8981 0.0000 0.0000 34339.9405 -149385.9034 299.8992 -183725.8438 -149293.2605 298.9567 -129.3675 -98.3432 556556.6741 -1.5350 -1.5784 PRESSURE: 3510000 -164.663 -7.18761 155.196 -7.18821 -250.557 117.838 155.196 117.838 -43.8782 GPRESSURE: 3510000 -156.57 -2.42223 176.932 -6.73208 -134.775 180.752 44.0139 67.9975 -60.8861 PRESSAVG: 3510000 29.5207 -30.8531 -4.88021 -30.8531 2.05277 21.6014 -4.88018 21.6014 23.7761 GPRESSAVG: 3510000 28.6553 -32.3599 -2.70291 -30.9443 2.34977 21.8625 -5.48493 22.1919 24.6052 TIMING: 3510000 CPU: 10502.3, 0.00307303/step Wall: 10502.3, 0.00307303/step, 1.27189 hours remaining, 205.203125 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: 3510000 793.0833 2110.1155 1944.1639 115.8496 -206106.2963 17656.4850 0.0000 0.0000 34217.2847 -149269.3142 298.8281 -183486.5989 -149172.0951 299.2922 -153.0324 -117.4102 556565.6945 18.4498 18.5367 PRESSURE: 3510200 -149.769 36.5665 -116.473 36.5664 -351.162 -13.8152 -116.476 -13.8139 -61.1382 GPRESSURE: 3510200 -156.74 184.282 -157.173 26.8515 -326.854 0.660829 -46.892 24.735 17.7611 PRESSAVG: 3510200 -19.8577 28.0342 7.87451 28.0342 34.6588 9.069 7.87447 9.06898 27.7065 GPRESSAVG: 3510200 -18.7576 28.0304 6.49294 26.0879 34.6761 7.96982 10.2963 9.59373 26.1942 TIMING: 3510200 CPU: 10502.9, 0.00306073/step Wall: 10502.9, 0.00306073/step, 1.26663 hours remaining, 205.203125 MB of memory in use. ENERGY: 3510200 774.1890 2115.2664 1943.1251 110.3298 -205975.3165 17550.0190 0.0000 0.0000 34044.5790 -149437.8083 297.3198 -183482.3872 -149339.0607 298.9633 -187.3566 -155.2774 555980.8717 14.1692 14.0376 PRESSURE: 3510400 -2.18671 67.0506 -103.728 67.05 -317.467 133.496 -103.73 133.496 -70.0396 GPRESSURE: 3510400 -33.243 23.8823 -112.237 119.675 -214.207 134.2 -123.231 110.903 -46.4047 PRESSAVG: 3510400 -6.41312 30.1201 -35.4961 30.1202 -42.0181 26.9559 -35.4961 26.9561 19.935 GPRESSAVG: 3510400 -6.04343 31.2041 -35.2038 32.1248 -42.9125 25.6834 -36.899 26.9953 20.7719 TIMING: 3510400 CPU: 10503.5, 0.00304523/step Wall: 10503.5, 0.00304523/step, 1.26005 hours remaining, 205.203125 MB of memory in use. ENERGY: 3510400 762.6291 2100.4927 1963.3182 110.9670 -206496.7088 17812.4884 0.0000 0.0000 34351.8214 -149394.9921 300.0030 -183746.8135 -149302.1487 298.7642 -129.8977 -97.9517 556723.8487 -9.4988 -9.3947 PRESSURE: 3510600 91.727 -18.5215 -139.115 -18.521 -138.151 53.8621 -139.114 53.8622 -158.786 GPRESSURE: 3510600 177.925 -83.3437 -164.956 43.9734 -66.3007 64.1403 -99.8079 93.5276 -228.541 PRESSAVG: 3510600 64.815 16.8379 -21.4907 16.8379 -32.4437 -25.8761 -21.4908 -25.8761 6.74554 GPRESSAVG: 3510600 64.3495 17.9 -19.8842 13.6735 -30.9209 -23.3994 -20.2779 -25.5049 5.74445 TIMING: 3510600 CPU: 10504.1, 0.00305286/step Wall: 10504.1, 0.00305286/step, 1.26303 hours remaining, 205.203125 MB of memory in use. ENERGY: 3510600 758.2229 2104.6254 1955.2656 120.2444 -206353.7608 17715.2976 0.0000 0.0000 34249.2585 -149450.8464 299.1073 -183700.1049 -149358.5825 299.2443 -68.4032 -38.9722 556214.2663 13.0389 13.0577 PRESSURE: 3510800 -142.07 57.6192 98.7477 57.6192 -67.4226 -35.513 98.7472 -35.5126 74.8911 GPRESSURE: 3510800 -152.577 52.088 62.8134 99.093 12.4222 3.95936 105.142 -43.102 113.441 PRESSAVG: 3510800 70.1881 7.56121 11.6919 7.56116 -25.3549 38.1615 11.6919 38.1614 -5.42496 GPRESSAVG: 3510800 69.6447 7.06125 11.329 10.1759 -24.5975 38.7177 11.1562 36.4229 -5.40845 TIMING: 3510800 CPU: 10504.8, 0.0030497/step Wall: 10504.8, 0.0030497/step, 1.26156 hours remaining, 205.203125 MB of memory in use. ENERGY: 3510800 772.8260 2132.8461 1985.5736 122.2576 -206402.4815 17903.7240 0.0000 0.0000 34171.7400 -149313.5143 298.4303 -183485.2542 -149218.4951 299.0651 -44.8671 -8.9047 558245.2490 13.1361 13.2129 PRESSURE: 3511000 -275.049 -36.4632 -87.3272 -36.4625 202.878 185.513 -87.326 185.513 23.9572 GPRESSURE: 3511000 -222.782 -36.3601 -51.1799 -41.2558 191.946 238.305 -106.03 189.732 71.3695 PRESSAVG: 3511000 8.46802 -8.01203 8.35756 -8.01204 19.0177 29.5295 8.35747 29.5294 1.25585 GPRESSAVG: 3511000 8.7474 -6.77168 8.01735 -8.09439 18.3391 29.3092 7.61889 28.6641 2.04155 TIMING: 3511000 CPU: 10505.4, 0.00305556/step Wall: 10505.4, 0.00305556/step, 1.26381 hours remaining, 205.203125 MB of memory in use. ENERGY: 3511000 751.1552 2100.4166 1931.0381 129.1165 -206453.5476 17968.2187 0.0000 0.0000 34276.5179 -149297.0846 299.3454 -183573.6026 -149201.3313 299.5174 -16.0716 13.5112 557954.1586 9.5805 9.7094 PRESSURE: 3511200 -26.0221 22.8651 -52.4075 22.8662 -50.7956 -56.4344 -52.4073 -56.435 143.17 GPRESSURE: 3511200 33.3447 12.1365 5.55961 9.96852 -27.8187 -168.833 -85.5266 -3.55046 159.62 PRESSAVG: 3511200 -22.7421 -1.84453 8.66571 -1.84458 -15.8101 35.4843 8.66566 35.4844 58.3894 GPRESSAVG: 3511200 -22.5541 -4.27503 8.59985 -2.58303 -16.0776 33.3457 9.64484 35.4535 58.8648 TIMING: 3511200 CPU: 10506, 0.00309606/step Wall: 10506, 0.00309606/step, 1.28039 hours remaining, 205.203125 MB of memory in use. ENERGY: 3511200 694.5407 2114.8543 1938.9389 126.5416 -206011.3464 17594.1778 0.0000 0.0000 34310.2169 -149232.0762 299.6397 -183542.2931 -149139.6441 299.6848 22.1174 55.0486 556742.8541 6.6124 6.7444 PRESSURE: 3511400 -165.702 19.6916 -72.8648 19.6901 -71.4484 -27.944 -72.8651 -27.9452 9.84761 GPRESSURE: 3511400 -127.631 19.2883 -47.728 -47.7921 -56.4185 -124.45 -147.9 -30.1568 51.3478 PRESSAVG: 3511400 -59.1912 50.6688 -13.3335 50.6688 56.9576 44.3351 -13.3334 44.335 5.32002 GPRESSAVG: 3511400 -59.5442 52.7059 -14.7082 50.711 57.7526 46.3537 -14.9858 44.2445 4.42542 TIMING: 3511400 CPU: 10506.6, 0.00306291/step Wall: 10506.6, 0.00306291/step, 1.26651 hours remaining, 205.203125 MB of memory in use. ENERGY: 3511400 716.0315 2130.3405 1939.5770 120.6682 -205686.2666 17490.6028 0.0000 0.0000 34225.8914 -149063.1552 298.9032 -183289.0466 -148967.4887 299.3589 -75.7675 -44.2340 557812.6331 1.0288 0.8779 PRESSURE: 3511600 12.0933 79.8581 -73.84 79.8577 2.95239 24.1856 -73.8394 24.1849 -79.6876 GPRESSURE: 3511600 33.9065 63.2789 -58.5823 136.227 90.641 14.7982 -53.6422 36.1499 -102.21 PRESSAVG: 3511600 18.6187 53.835 -14.6231 53.835 -21.2733 9.24857 -14.623 9.24861 -22.2105 GPRESSAVG: 3511600 17.5404 53.8846 -13.6905 54.5529 -20.8405 7.86585 -12.9852 10.0629 -21.3977 TIMING: 3511600 CPU: 10507.2, 0.00306991/step Wall: 10507.2, 0.00306991/step, 1.26924 hours remaining, 205.203125 MB of memory in use. ENERGY: 3511600 759.6792 2081.6863 1901.7710 111.5225 -205902.7162 17777.8262 0.0000 0.0000 34275.7275 -148994.5034 299.3385 -183270.2309 -148903.3281 300.3329 -21.5473 7.4458 558666.5986 -8.2884 -8.2326 PRESSURE: 3511800 64.8784 101.599 106.348 101.597 -170.932 -134.071 106.347 -134.069 24.4424 GPRESSURE: 3511800 77.6147 107.436 121.894 90.4127 -114.354 -68.8534 47.6371 -180.625 48.4725 PRESSAVG: 3511800 -34.4605 24.3149 -35.0152 24.3149 -25.37 -37.0884 -35.0152 -37.0883 83.6621 GPRESSAVG: 3511800 -33.8607 21.5589 -35.666 24.9443 -25.9283 -37.4218 -36.8397 -37.2313 83.3348 TIMING: 3511800 CPU: 10507.8, 0.00304459/step Wall: 10507.8, 0.00304459/step, 1.2586 hours remaining, 205.203125 MB of memory in use. ENERGY: 3511800 737.1329 2055.5938 1931.2538 105.3395 -206078.6702 17797.7763 0.0000 0.0000 34311.9553 -149139.6185 299.6548 -183451.5738 -149038.1304 299.5130 -27.2038 3.9111 558792.0861 7.9439 7.8486 PRESSURE: 3512000 -119.733 69.2494 52.8648 69.2504 210.183 -68.996 52.8645 -68.9947 138.647 GPRESSURE: 3512000 -97.7819 125.741 22.5167 -17.4707 235.514 -87.3305 98.7817 -61.014 181.227 PRESSAVG: 3512000 17.8095 31.1367 14.9552 31.1366 -49.6313 -6.16872 14.9553 -6.16867 -5.42362 GPRESSAVG: 3512000 17.6642 34.1409 15.1396 30.5934 -50.017 -2.70929 17.1726 -7.45192 -4.86309 TIMING: 3512000 CPU: 10508.4, 0.00304532/step Wall: 10508.4, 0.00304532/step, 1.25873 hours remaining, 205.203125 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: 3512000 738.2152 2081.7519 1948.7950 121.9538 -206296.1236 18070.4679 0.0000 0.0000 34175.7085 -149159.2312 298.4650 -183334.9397 -149064.4899 299.1525 76.3656 106.3200 558834.7412 -12.4151 -12.4053 PRESSURE: 3512200 -181.547 -1.12867 -3.55287 -1.12809 -206.14 71.8126 -3.55164 71.8126 -151.323 GPRESSURE: 3512200 -143.56 -51.4671 58.2973 -53.2007 -185.012 109.571 -93.7029 46.2411 -110.611 PRESSAVG: 3512200 -55.2842 17.8058 -0.101754 17.8058 23.6985 35.296 -0.101715 35.2959 63.4262 GPRESSAVG: 3512200 -54.549 16.0036 0.706748 16.1187 23.6705 32.1058 -1.72377 37.9737 62.4626 TIMING: 3512200 CPU: 10509, 0.00307481/step Wall: 10509, 0.00307481/step, 1.27075 hours remaining, 205.203125 MB of memory in use. ENERGY: 3512200 726.5415 2068.4291 1944.7290 121.8233 -206156.5091 17739.2185 0.0000 0.0000 34305.8380 -149249.9297 299.6014 -183555.7676 -149151.0624 298.8857 -179.6699 -146.3944 559553.6258 10.6135 10.5280 LDB: ============= START OF LOAD BALANCING ============== 10512.5 LDB: ============== END OF LOAD BALANCING =============== 10512.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10512.5 LDB: ============= START OF LOAD BALANCING ============== 10512.8 LDB: Largest compute 4820 load 0.025540 is 21.6% of average load 0.118161 LDB: Average compute 0.001718 is 1.5% of average load 0.118161 LDB: TIME 10512.8 LOAD: AVG 0.118161 MAX 0.225713 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.23 MB LDB: TIME 10512.8 LOAD: AVG 0.118161 MAX 0.225713 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.434 MB LDB: TIME 10512.8 LOAD: AVG 0.118161 MAX 0.225713 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10512.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10512.8 PRESSURE: 3512400 -47.5297 80.059 -15.8759 80.0599 -271.553 53.1252 -15.8741 53.126 -25.9111 GPRESSURE: 3512400 -87.9406 63.8999 51.4766 104.256 -179.688 3.9414 -57.3177 68.9591 23.555 PRESSAVG: 3512400 -11.7279 -9.46346 -20.3757 -9.46346 39.1586 -37.2695 -20.3758 -37.2695 -8.75693 GPRESSAVG: 3512400 -13.1495 -8.22039 -20.6495 -7.59041 39.4064 -38.3044 -18.7773 -37.9065 -8.31653 TIMING: 3512400 CPU: 10509.7, 0.00310743/step Wall: 10509.7, 0.00310743/step, 1.28406 hours remaining, 206.511719 MB of memory in use. ENERGY: 3512400 728.5199 2028.4588 1938.4709 117.8689 -205923.5814 17741.0734 0.0000 0.0000 34059.4491 -149309.7404 297.4496 -183369.1895 -149216.6806 299.1746 -114.9978 -81.3577 558757.5493 6.2246 5.9801 PRESSURE: 3512600 -150.404 45.3323 -113.973 45.3324 -248.447 -98.8891 -113.975 -98.8892 119.47 GPRESSURE: 3512600 -83.5334 54.9789 -215.15 37.1182 -200.203 -46.9665 -99.6831 -19.1518 86.6593 PRESSAVG: 3512600 25.2981 30.6801 -37.3614 30.6802 -28.9954 44.7164 -37.3613 44.7163 15.7093 GPRESSAVG: 3512600 26.2282 28.678 -37.4492 31.2346 -29.3694 47.7815 -40.1988 43.4956 15.1464 TIMING: 3512600 CPU: 10510.3, 0.00306206/step Wall: 10510.3, 0.00306206/step, 1.26514 hours remaining, 206.511719 MB of memory in use. ENERGY: 3512600 747.0623 2065.2083 1956.1498 109.7830 -205897.0587 17606.1313 0.0000 0.0000 34164.5173 -149248.2068 298.3672 -183412.7240 -149161.2189 298.6220 -93.1269 -65.6925 559582.0628 4.0040 4.0018 PRESSURE: 3512800 -274.846 75.9104 -15.4816 75.9113 -206.165 60.7956 -15.4804 60.7957 -55.4138 GPRESSURE: 3512800 -225.3 65.7986 -60.8926 74.5904 -130.466 79.3377 26.7496 69.3197 -77.1834 PRESSAVG: 3512800 24.711 59.6091 -11.4657 59.6091 -57.3483 8.72938 -11.4656 8.72944 30.6429 GPRESSAVG: 3512800 25.3669 61.1227 -10.028 58.9047 -56.6533 6.63599 -10.8612 9.19635 29.5416 TIMING: 3512800 CPU: 10510.9, 0.00306417/step Wall: 10510.9, 0.00306417/step, 1.26584 hours remaining, 206.511719 MB of memory in use. ENERGY: 3512800 703.0387 2025.2081 1939.5563 115.1609 -206158.4482 17666.2002 0.0000 0.0000 34540.2140 -149169.0699 301.6483 -183709.2839 -149074.8757 299.9181 -178.8084 -144.3167 558809.9958 -0.6648 -0.5816 PRESSURE: 3513000 160.899 174.445 -83.0279 174.445 97.2152 12.5443 -83.0267 12.5426 37.6751 GPRESSURE: 3513000 216.783 157.94 -85.4311 129.356 115.308 -14.3029 -16.7928 21.6828 66.8974 PRESSAVG: 3513000 31.2879 47.7348 50.8537 47.7348 -33.4494 0.495003 50.8537 0.495018 8.17904 GPRESSAVG: 3513000 29.8904 47.8662 49.215 49.1343 -32.5379 1.75399 53.1882 1.21678 8.22882 TIMING: 3513000 CPU: 10511.5, 0.00303719/step Wall: 10511.5, 0.00303719/step, 1.25453 hours remaining, 206.511719 MB of memory in use. ENERGY: 3513000 745.8803 2056.5673 1950.1203 110.9190 -206315.0890 17968.8273 0.0000 0.0000 34292.5158 -149190.2591 299.4851 -183482.7748 -149097.6855 299.7773 98.5964 132.9962 557167.3211 2.0058 1.8604 PRESSURE: 3513200 -397.695 -25.2129 -223.765 -25.2123 -139.386 -225.472 -223.765 -225.472 -400.278 GPRESSURE: 3513200 -285.104 77.4585 -144.941 -106.095 -137.649 -235.848 -218.467 -125.317 -421.23 PRESSAVG: 3513200 -3.13111 65.1512 -5.91305 65.1512 -38.8248 -50.6689 -5.91301 -50.669 21.2035 GPRESSAVG: 3513200 -2.89573 64.9317 -5.03801 63.8463 -39.1098 -52.1532 -6.32915 -50.3484 21.137 TIMING: 3513200 CPU: 10512.1, 0.00305818/step Wall: 10512.1, 0.00305818/step, 1.26303 hours remaining, 206.511719 MB of memory in use. ENERGY: 3513200 756.3985 2076.3897 1958.8805 115.4758 -205550.4527 17334.3116 0.0000 0.0000 34305.6596 -149003.3371 299.5999 -183308.9967 -148906.1668 299.8691 -312.4530 -281.3277 558503.0026 -6.9175 -6.9562 PRESSURE: 3513400 -150.378 -168.944 -28.5655 -168.944 102.02 98.8841 -28.5646 98.885 61.9554 GPRESSURE: 3513400 -141.516 -188.509 -60.4846 -82.8847 135.593 155.128 -47.5674 51.3909 111.903 PRESSAVG: 3513400 -21.9246 -23.7357 67.7469 -23.7357 24.558 -68.3019 67.7469 -68.3019 31.7197 GPRESSAVG: 3513400 -21.3611 -24.0944 69.2742 -24.3849 23.2324 -67.774 67.2181 -69.2431 32.3275 TIMING: 3513400 CPU: 10512.7, 0.00310446/step Wall: 10512.7, 0.00310446/step, 1.28197 hours remaining, 206.511719 MB of memory in use. ENERGY: 3513400 766.7780 2077.5411 1925.6475 121.6554 -206264.2538 17905.1481 0.0000 0.0000 34311.3426 -149156.1412 299.6495 -183467.4837 -149060.8756 300.0234 4.5323 35.3267 556905.0818 11.4510 11.3996 PRESSURE: 3513600 -142.974 -110.503 44.4023 -110.503 -113.621 -138.23 44.401 -138.229 -102.409 GPRESSURE: 3513600 -78.0718 -163.452 70.6608 -69.4343 -43.496 -143.25 68.7735 -142.787 -152.864 PRESSAVG: 3513600 -3.39324 18.698 22.3304 18.698 -6.899 24.2923 22.3304 24.2925 -8.56741 GPRESSAVG: 3513600 -4.43257 18.8382 21.6537 19.2507 -6.06218 25.1257 21.9318 23.7759 -8.89219 TIMING: 3513600 CPU: 10513.4, 0.00307422/step Wall: 10513.4, 0.00307422/step, 1.26931 hours remaining, 206.511719 MB of memory in use. ENERGY: 3513600 730.6541 2094.6906 1941.5048 100.9798 -205741.4686 17513.7439 0.0000 0.0000 34372.3977 -148987.4976 300.1827 -183359.8953 -148888.1193 299.8550 -119.6680 -91.4772 558682.3250 -6.2865 -6.4623 PRESSURE: 3513800 -98.9432 96.9286 178.726 96.9285 62.7765 43.6917 178.726 43.6929 228.977 GPRESSURE: 3513800 -52.7317 96.441 238.07 164.533 73.2822 -1.12922 167.001 158.265 269.366 PRESSAVG: 3513800 32.5465 -6.68389 5.32518 -6.68398 -46.5237 9.81898 5.32522 9.81896 28.2198 GPRESSAVG: 3513800 34.1219 -9.30829 2.8434 -4.994 -47.5702 8.57382 4.21593 10.346 27.9548 TIMING: 3513800 CPU: 10514, 0.00308537/step Wall: 10514, 0.00308537/step, 1.27374 hours remaining, 206.511719 MB of memory in use. ENERGY: 3513800 745.9863 2087.3270 1944.5794 118.5728 -206103.7660 17876.0771 0.0000 0.0000 34354.9862 -148976.2373 300.0306 -183331.2235 -148883.1761 300.0840 64.2700 96.6389 557527.2072 4.7475 4.8355 PRESSURE: 3514000 60.9882 -25.3909 -38.8026 -25.3919 184.286 -43.3319 -38.8029 -43.3304 6.1239 GPRESSURE: 3514000 80.2138 -72.5855 -34.4675 1.83306 222.162 -111.45 -8.32968 -50.2467 45.8117 PRESSAVG: 3514000 52.8863 -26.4158 32.1573 -26.4158 -31.8444 39.7223 32.1573 39.7224 -11.7384 GPRESSAVG: 3514000 52.3 -24.4702 33.6926 -26.7746 -30.1028 38.8218 34.1366 41.6117 -12.9662 TIMING: 3514000 CPU: 10514.6, 0.00306905/step Wall: 10514.6, 0.00306905/step, 1.26684 hours remaining, 206.511719 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: 3514000 738.0264 2106.9298 1956.7195 109.9056 -206068.8552 17841.5291 0.0000 0.0000 34336.6040 -148979.1409 299.8701 -183315.7449 -148882.8704 299.6595 83.7992 116.0627 558068.1548 3.1012 3.0770 PRESSURE: 3514200 -163.244 -110.455 72.0905 -110.456 68.0858 -2.19876 72.0911 -2.19879 -213.322 GPRESSURE: 3514200 -159.579 -115.017 52.47 -115.379 72.7668 15.2413 68.0921 21.9422 -125.28 PRESSAVG: 3514200 -17.7126 -31.0833 11.0926 -31.0833 0.583418 -32.822 11.0926 -32.8221 -32.9426 GPRESSAVG: 3514200 -17.4844 -31.1601 11.7011 -30.7936 0.252761 -30.6865 9.88132 -35.5067 -32.3859 TIMING: 3514200 CPU: 10515.2, 0.00305596/step Wall: 10515.2, 0.00305596/step, 1.26126 hours remaining, 206.511719 MB of memory in use. ENERGY: 3514200 761.2821 2060.8936 1946.0509 114.9450 -205784.2682 17533.6417 0.0000 0.0000 34276.2172 -149091.2376 299.3427 -183367.4549 -148995.2682 299.3436 -102.8269 -70.6975 558532.9283 -16.6906 -16.5392 PRESSURE: 3514400 -420.481 82.436 -46.55 82.4368 -136.919 -20.8041 -46.5498 -20.8043 -351.816 GPRESSURE: 3514400 -399.713 39.0581 -1.26423 174.943 -155.298 -23.0803 -128.49 8.08359 -260.275 PRESSAVG: 3514400 15.4662 -10.59 -29.3299 -10.5899 38.6446 37.1804 -29.3298 37.1803 -6.95391 GPRESSAVG: 3514400 16.137 -11.4035 -29.6688 -11.8618 37.7554 36.5342 -30.8457 37.3334 -6.86279 TIMING: 3514400 CPU: 10515.8, 0.00307003/step Wall: 10515.8, 0.00307003/step, 1.2669 hours remaining, 206.511719 MB of memory in use. ENERGY: 3514400 756.0499 2040.4101 1957.9871 119.4356 -205697.0257 17278.0646 0.0000 0.0000 34352.7623 -149192.3161 300.0112 -183545.0785 -149093.1641 300.1020 -303.0723 -271.7618 557817.5927 15.7190 15.6766 PRESSURE: 3514600 -307.317 -21.3904 -236.7 -21.3897 10.0791 -22.6201 -236.701 -22.619 -368.666 GPRESSURE: 3514600 -245.18 74.4223 -159.852 10.4297 57.0474 -45.661 -220.308 62.3156 -377.116 PRESSAVG: 3514600 9.79151 75.3574 -71.5143 75.3573 -28.5284 17.6879 -71.5144 17.6879 -30.3685 GPRESSAVG: 3514600 8.37503 77.394 -72.5397 75.7746 -27.2437 19.0293 -69.5605 18.3412 -29.6772 TIMING: 3514600 CPU: 10516.4, 0.00306296/step Wall: 10516.4, 0.00306296/step, 1.26381 hours remaining, 206.511719 MB of memory in use. ENERGY: 3514600 733.2428 2121.2495 1918.9853 113.4780 -205464.7215 17262.2299 0.0000 0.0000 34126.3000 -149189.2360 298.0335 -183315.5361 -149087.2569 300.2779 -221.9678 -188.4161 559011.6871 -16.3685 -16.1820 PRESSURE: 3514800 -245.129 55.7073 113.418 55.706 -1.6811 -154.436 113.417 -154.438 270.997 GPRESSURE: 3514800 -214.335 151.68 118.45 103.3 14.6486 -140.852 91.7479 -206.974 318.077 PRESSAVG: 3514800 -50.6026 21.636 -12.0888 21.636 31.1373 -25.2504 -12.0888 -25.2505 36.6215 GPRESSAVG: 3514800 -50.0056 20.3536 -10.0948 22.1828 29.9674 -25.4042 -13.138 -25.3279 37.3043 TIMING: 3514800 CPU: 10517, 0.00304241/step Wall: 10517, 0.00304241/step, 1.25516 hours remaining, 206.511719 MB of memory in use. ENERGY: 3514800 729.8713 2111.2447 1949.6001 109.7045 -206109.4386 17758.1963 0.0000 0.0000 34225.5174 -149225.3043 298.9000 -183450.8217 -149126.3208 299.1402 8.0623 39.4634 558234.4756 5.7187 5.7554 PRESSURE: 3515000 -90.7899 -8.66405 -126.456 -8.66301 -378.297 -4.66556 -126.456 -4.66501 40.9683 GPRESSURE: 3515000 -69.8036 34.9295 -92.486 -31.3154 -319.179 3.75674 -147.516 -15.4856 57.013 PRESSAVG: 3515000 47.0146 19.3104 35.1767 19.3104 -57.3439 22.0534 35.1767 22.0535 63.1661 GPRESSAVG: 3515000 47.9946 19.6119 35.5769 18.927 -57.192 20.9152 35.3585 20.9178 62.355 TIMING: 3515000 CPU: 10517.6, 0.00305008/step Wall: 10517.6, 0.00305008/step, 1.25816 hours remaining, 206.511719 MB of memory in use. ENERGY: 3515000 760.6658 2138.6285 1949.8379 110.4419 -205887.0360 17604.9497 0.0000 0.0000 34274.9276 -149047.5847 299.3315 -183322.5123 -148947.4028 300.3883 -142.7063 -110.6567 558677.7940 17.6122 17.7192 PRESSURE: 3515200 49.0149 -32.5814 -121.341 -32.5804 142.252 101.777 -121.342 101.777 -43.075 GPRESSURE: 3515200 96.2498 -48.4105 -158.974 -13.4603 144.24 185.923 -141.262 43.5568 12.7795 PRESSAVG: 3515200 44.8389 7.91196 -61.8943 7.91204 -28.3354 -43.4678 -61.8943 -43.4677 -47.3946 GPRESSAVG: 3515200 44.7278 7.42925 -63.5213 5.34559 -28.6607 -42.8963 -61.2008 -45.2151 -46.9444 TIMING: 3515200 CPU: 10518.2, 0.00305272/step Wall: 10518.2, 0.00305272/step, 1.25908 hours remaining, 206.511719 MB of memory in use. ENERGY: 3515200 729.7489 2129.6933 1940.2081 118.7190 -206040.2816 17825.9968 0.0000 0.0000 34272.3257 -149023.5898 299.3087 -183295.9155 -148925.7558 299.6694 49.3972 84.4231 557750.6544 -10.2971 -10.2924 PRESSURE: 3515400 -172.593 -188.464 -74.0213 -188.463 137.112 91.9175 -74.0219 91.9176 -193.296 GPRESSURE: 3515400 -136.518 -87.9361 0.278592 -217.724 146.003 57.8247 -147.421 125.353 -156.971 PRESSAVG: 3515400 -33.3254 -34.2471 -15.718 -34.2471 26.7025 34.0642 -15.7181 34.0643 7.74963 GPRESSAVG: 3515400 -34.6987 -33.1362 -13.9109 -33.591 28.3964 35.128 -15.0623 36.5733 7.57833 TIMING: 3515400 CPU: 10518.9, 0.00305285/step Wall: 10518.9, 0.00305285/step, 1.25896 hours remaining, 206.511719 MB of memory in use. ENERGY: 3515400 726.3045 2096.7740 1971.4078 101.2231 -206162.8759 17636.0110 0.0000 0.0000 34517.3902 -149113.7653 301.4490 -183631.1555 -149009.4686 299.8033 -76.2592 -49.1621 556341.8849 0.3756 0.4253 PRESSURE: 3515600 40.4292 -44.436 80.2032 -44.4357 -79.9394 74.4546 80.2051 74.4533 76.2619 GPRESSURE: 3515600 90.11 -9.66233 71.8393 -85.9248 -104.325 80.6497 69.3122 185.348 153.844 PRESSAVG: 3515600 38.6833 -74.1697 12.0349 -74.1696 -9.56274 46.3166 12.0349 46.3167 -11.5654 GPRESSAVG: 3515600 38.8407 -76.8448 10.3744 -71.9108 -11.0998 45.8842 11.6189 47.2094 -10.5329 TIMING: 3515600 CPU: 10519.5, 0.00304804/step Wall: 10519.5, 0.00304804/step, 1.25681 hours remaining, 206.511719 MB of memory in use. ENERGY: 3515600 725.3287 2180.8175 1930.5840 111.1369 -206225.4069 17892.3094 0.0000 0.0000 34205.0198 -149180.2106 298.7209 -183385.2303 -149085.9017 299.7540 12.2506 46.5432 556979.5938 5.8517 5.7360 PRESSURE: 3515800 -85.3313 -268.264 -23.0901 -268.264 -38.7919 -110.897 -23.0907 -110.898 57.8904 GPRESSURE: 3515800 -9.24507 -277.933 -6.14667 -186.216 2.57359 -49.2256 -30.6414 -132.523 48.3818 PRESSAVG: 3515800 -1.64911 -40.6821 59.0344 -40.6821 -24.2823 -45.2722 59.0344 -45.2723 -12.8597 GPRESSAVG: 3515800 -1.7173 -38.8555 58.5387 -42.3293 -24.1662 -45.7145 60.4319 -45.1886 -13.4185 TIMING: 3515800 CPU: 10520.1, 0.00304557/step Wall: 10520.1, 0.00304557/step, 1.25562 hours remaining, 206.511719 MB of memory in use. ENERGY: 3515800 740.6759 2170.5836 1934.0026 129.3147 -206198.4628 17722.4946 0.0000 0.0000 34348.0065 -149153.3849 299.9697 -183501.3913 -149060.0745 299.7167 -22.0776 13.9034 557936.2004 -12.9304 -13.1007 PRESSURE: 3516000 -226.561 -28.6352 68.9109 -28.6359 -53.5182 39.7403 68.9107 39.7412 61.1093 GPRESSURE: 3516000 -144.282 34.4602 5.53226 -12.3175 -38.3413 83.6143 120.178 116.916 48.879 PRESSAVG: 3516000 -20.3865 31.4381 -12.7707 31.4381 22.1332 -23.309 -12.7707 -23.309 48.9103 GPRESSAVG: 3516000 -20.3572 33.1061 -11.6364 30.4826 22.3741 -23.434 -13.2953 -24.0995 48.8682 TIMING: 3516000 CPU: 10520.7, 0.00304487/step Wall: 10520.7, 0.00304487/step, 1.25516 hours remaining, 206.511719 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: 3516000 729.5271 2104.1365 1956.6983 112.0553 -205920.3787 17685.5066 0.0000 0.0000 34201.8461 -149130.6088 298.6932 -183332.4549 -149036.3215 299.8203 -72.9901 -44.5814 559005.4316 16.8856 16.9617 PRESSURE: 3516200 63.4298 168.894 24.0742 168.895 -15.0566 37.838 24.0733 37.8375 -147.86 GPRESSURE: 3516200 101.84 214.55 62.3813 156.478 13.3612 53.6448 -93.3112 25.4394 -114.751 PRESSAVG: 3516200 58.9551 -27.1443 -43.2201 -27.1442 33.7458 18.7777 -43.22 18.7778 -61.0655 GPRESSAVG: 3516200 58.4374 -27.0623 -41.8021 -27.425 33.6646 19.9828 -45.4497 18.3471 -60.7538 TIMING: 3516200 CPU: 10521.3, 0.00304975/step Wall: 10521.3, 0.00304975/step, 1.25701 hours remaining, 206.511719 MB of memory in use. ENERGY: 3516200 751.7612 2194.9148 1912.3431 97.6101 -206527.2355 17949.2918 0.0000 0.0000 34291.4413 -149329.8731 299.4757 -183621.3144 -149233.9845 298.8819 -33.1621 0.1499 558445.6565 10.5451 10.4494 LDB: ============= START OF LOAD BALANCING ============== 10524.7 LDB: ============== END OF LOAD BALANCING =============== 10524.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10524.7 LDB: ============= START OF LOAD BALANCING ============== 10525 LDB: Largest compute 4820 load 0.023937 is 20.3% of average load 0.118080 LDB: Average compute 0.001716 is 1.5% of average load 0.118080 LDB: TIME 10525 LOAD: AVG 0.11808 MAX 0.220071 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.805 MB LDB: TIME 10525 LOAD: AVG 0.11808 MAX 0.220071 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: TIME 10525 LOAD: AVG 0.11808 MAX 0.220071 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: ============== END OF LOAD BALANCING =============== 10525 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10525 PRESSURE: 3516400 25.3351 24.8115 -12.5105 24.8112 -217.519 181.831 -12.5099 181.829 -102.683 GPRESSURE: 3516400 111.906 29.9335 45.0109 14.9459 -210.358 84.9776 -33.9317 225.465 -87.548 PRESSAVG: 3516400 32.1584 -6.23256 2.70317 -6.23246 -37.1607 23.9117 2.70312 23.9117 14.2759 GPRESSAVG: 3516400 33.4991 -6.77707 3.60503 -5.18673 -37.3826 21.9703 2.28428 25.4337 13.6322 TIMING: 3516400 CPU: 10521.9, 0.00311373/step Wall: 10521.9, 0.00311373/step, 1.2832 hours remaining, 204.648438 MB of memory in use. ENERGY: 3516400 766.5744 2088.0544 1934.5720 110.6828 -206407.6885 17857.5016 0.0000 0.0000 34324.8533 -149325.4499 299.7675 -183650.3032 -149229.3130 299.4172 -98.2890 -62.0000 558003.0645 3.0912 3.2495 PRESSURE: 3516600 -230.043 -51.2872 -139.096 -51.2855 -277.323 156.013 -139.095 156.014 -537.793 GPRESSURE: 3516600 -224.95 -163.518 -141.729 -14.498 -224.26 144.598 -104.736 133.399 -497.216 PRESSAVG: 3516600 97.5589 31.1099 -12.9894 31.1099 -31.2374 48.3172 -12.9894 48.3173 -64.4823 GPRESSAVG: 3516600 97.2004 31.496 -16.3551 32.1467 -29.4553 48.3879 -8.51609 49.5855 -65.3485 TIMING: 3516600 CPU: 10522.5, 0.00306104/step Wall: 10522.5, 0.00306104/step, 1.26132 hours remaining, 204.648438 MB of memory in use. ENERGY: 3516600 759.4917 2126.7396 1943.6636 117.4845 -205690.8425 17315.9074 0.0000 0.0000 34160.9220 -149266.6339 298.3358 -183427.5558 -149168.3013 299.0308 -348.3864 -315.4753 558792.3319 0.6131 0.7989 PRESSURE: 3516800 -2.48629 85.9194 -84.885 85.9188 -134.41 -107.488 -84.8832 -107.486 -124.071 GPRESSURE: 3516800 33.9839 21.8101 -38.9117 113.681 -107.448 -122.302 -137.352 -160.186 -96.3857 PRESSAVG: 3516800 41.4062 24.3236 -21.2416 24.3236 21.6633 21.4634 -21.2416 21.4634 -99.7968 GPRESSAVG: 3516800 42.4268 23.3781 -19.494 26.1205 20.0723 24.235 -24.5639 19.5307 -98.8215 TIMING: 3516800 CPU: 10523.1, 0.00306346/step Wall: 10523.1, 0.00306346/step, 1.26215 hours remaining, 204.648438 MB of memory in use. ENERGY: 3516800 750.4243 2119.6775 1944.5192 108.3291 -206383.5885 17698.7542 0.0000 0.0000 34477.2170 -149284.6672 301.0981 -183761.8842 -149186.9141 299.4307 -86.9890 -56.6165 557048.8880 -12.2425 -12.1075 PRESSURE: 3517000 -47.8652 -59.4666 150.092 -59.4665 -91.0524 61.3692 150.092 61.37 -298.268 GPRESSURE: 3517000 -66.1235 -26.3326 125.455 -85.8554 -44.4238 123.197 115.068 83.7815 -246.995 PRESSAVG: 3517000 110.076 -36.8554 24.7023 -36.8554 -24.7858 -21.1533 24.7023 -21.1534 -30.2692 GPRESSAVG: 3517000 109.155 -35.5624 23.7272 -40.9858 -24.2804 -22.3536 25.9312 -23.0528 -29.6078 TIMING: 3517000 CPU: 10523.8, 0.00305413/step Wall: 10523.8, 0.00305413/step, 1.25813 hours remaining, 204.648438 MB of memory in use. ENERGY: 3517000 779.1697 2102.1592 1961.7507 114.4398 -206158.9949 17697.9788 0.0000 0.0000 34444.9263 -149058.5704 300.8161 -183503.4967 -148962.3950 299.8877 -145.7287 -119.1806 557661.8624 18.3404 18.4222 PRESSURE: 3517200 22.5956 187.34 -16.3698 187.34 -230.089 87.3965 -16.3693 87.3963 -3.53327 GPRESSURE: 3517200 104.781 118.955 -54.1065 129.59 -227.089 118.969 32.1307 71.7162 20.3826 PRESSAVG: 3517200 -10.3676 15.2518 -15.2479 15.2517 4.03952 20.5758 -15.248 20.5757 22.1654 GPRESSAVG: 3517200 -8.76225 14.8496 -14.5093 16.3525 3.99656 19.979 -17.9985 23.4246 20.672 TIMING: 3517200 CPU: 10524.4, 0.00304843/step Wall: 10524.4, 0.00304843/step, 1.25561 hours remaining, 204.648438 MB of memory in use. ENERGY: 3517200 756.3664 2130.0729 1935.4847 101.8802 -206116.2067 17632.3766 0.0000 0.0000 34165.6132 -149394.4127 298.3768 -183560.0259 -149300.7279 299.6796 -70.3424 -33.9753 556310.3951 5.2791 5.3021 PRESSURE: 3517400 -205.195 -0.108088 56.8888 -0.109579 -10.9626 -34.6823 56.8892 -34.6814 100.61 GPRESSURE: 3517400 -132.586 9.21613 82.4937 77.8976 -10.8072 -75.4139 145.467 -33.8792 120.432 PRESSAVG: 3517400 15.1641 -2.51983 47.5858 -2.51978 -33.5194 6.2451 47.5859 6.24516 -7.35943 GPRESSAVG: 3517400 14.5674 -3.2143 48.3244 -1.95556 -33.9436 5.46519 49.8182 3.48635 -6.441 TIMING: 3517400 CPU: 10525, 0.00310165/step Wall: 10525, 0.00310165/step, 1.27736 hours remaining, 204.648438 MB of memory in use. ENERGY: 3517400 758.4826 2093.3125 1937.0801 109.0403 -206316.4777 17769.7575 0.0000 0.0000 34204.2158 -149444.5890 298.7139 -183648.8047 -149344.9879 298.9112 -38.5160 -7.6537 556513.3640 -8.5716 -8.6057 PRESSURE: 3517600 -85.7767 -141.134 -11.6128 -141.135 -236.019 -178.285 -11.6125 -178.285 241.757 GPRESSURE: 3517600 4.37964 -175.97 77.7312 -57.257 -245.685 -100.634 -24.1692 -172.333 252.974 PRESSAVG: 3517600 -26.6239 -30.9314 4.30635 -30.9315 -3.01465 75.5301 4.30635 75.5303 62.2652 GPRESSAVG: 3517600 -27.3919 -29.6517 3.2452 -30.8085 -2.6496 78.1603 4.50092 76.712 62.5734 TIMING: 3517600 CPU: 10525.6, 0.00306994/step Wall: 10525.6, 0.00306994/step, 1.26413 hours remaining, 204.648438 MB of memory in use. ENERGY: 3517600 789.2470 2083.3173 1919.6618 114.6449 -206539.7533 17857.0569 0.0000 0.0000 34239.2766 -149536.5488 299.0201 -183775.8254 -149443.0619 298.3596 -26.6795 3.8897 556794.7348 10.8755 10.8440 PRESSURE: 3517800 -12.5477 -205.307 -77.4757 -205.307 -63.3625 -151.232 -77.4752 -151.23 -159.351 GPRESSURE: 3517800 -29.5851 -202.964 -64.0561 -190.873 -38.73 -112.603 -47.5453 -82.8262 -76.5898 PRESSAVG: 3517800 16.1694 5.65924 5.35589 5.65933 1.03166 -8.33622 5.35587 -8.33616 12.4443 GPRESSAVG: 3517800 16.88 5.06131 7.3673 6.35155 0.465215 -10.0451 4.10179 -9.88222 12.1723 TIMING: 3517800 CPU: 10526.2, 0.00305724/step Wall: 10526.2, 0.00305724/step, 1.25873 hours remaining, 204.648438 MB of memory in use. ENERGY: 3517800 754.5717 2067.6109 1945.1855 117.3158 -206473.8121 17670.4141 0.0000 0.0000 34149.5422 -149769.1718 298.2364 -183918.7140 -149671.1549 297.8618 -78.4204 -48.3016 555387.9242 9.8818 9.8392 PRESSURE: 3518000 66.8073 117.614 61.166 117.615 129.512 79.8515 61.1649 79.8521 79.8889 GPRESSURE: 3518000 138.39 127.137 29.1783 101.381 143.451 69.9926 93.2915 104.51 89.3841 PRESSAVG: 3518000 -77.9058 -60.587 27.5286 -60.5869 76.6745 31.0013 27.5285 31.0014 0.268623 GPRESSAVG: 3518000 -78.4745 -60.0748 27.3795 -64.4039 77.9613 30.3064 27.4152 31.2758 -0.250651 TIMING: 3518000 CPU: 10526.8, 0.00304635/step Wall: 10526.8, 0.00304635/step, 1.25408 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: 3518000 752.8048 2074.8794 1969.4018 106.4681 -206639.0081 17997.2725 0.0000 0.0000 34070.8908 -149667.2907 297.5496 -183738.1815 -149574.6114 297.7317 92.0695 123.7417 555345.2060 -0.3209 -0.2546 PRESSURE: 3518200 -208.474 -10.7029 58.4167 -10.7019 -231.359 -53.342 58.4154 -53.3421 202.055 GPRESSURE: 3518200 -134.079 38.5319 93.49 20.0065 -227.063 -111.069 126.865 -98.9836 221.508 PRESSAVG: 3518200 29.5338 4.52594 73.8486 4.52605 21.6539 49.2171 73.8486 49.2171 -36.1417 GPRESSAVG: 3518200 31.1197 3.10177 71.9841 8.42285 19.5142 48.9107 74.6172 49.1587 -35.8276 TIMING: 3518200 CPU: 10527.4, 0.00304696/step Wall: 10527.4, 0.00304696/step, 1.25416 hours remaining, 204.648438 MB of memory in use. ENERGY: 3518200 747.5380 2139.1066 1942.0394 125.9367 -206350.2848 17711.2162 0.0000 0.0000 34073.9466 -149610.5013 297.5763 -183684.4479 -149511.9674 297.9515 -79.2592 -46.5448 556548.3782 5.0154 4.9354 PRESSURE: 3518400 4.07576 -135.598 50.7687 -135.6 -124.164 -67.1289 50.7693 -67.13 -34.8283 GPRESSURE: 3518400 32.2335 -70.0484 83.9581 -133.852 -60.3383 -85.1587 -4.18858 -138.77 -13.2965 PRESSAVG: 3518400 25.7309 -2.59712 34.655 -2.59709 -7.09506 -39.2562 34.6551 -39.2561 -37.8393 GPRESSAVG: 3518400 23.8872 -1.5894 35.9175 -3.40394 -5.35487 -39.5982 34.8702 -38.2055 -37.7701 TIMING: 3518400 CPU: 10528, 0.00304976/step Wall: 10528, 0.00304976/step, 1.25515 hours remaining, 204.648438 MB of memory in use. ENERGY: 3518400 766.2130 2091.1781 1952.9754 114.3225 -206235.6776 17683.2587 0.0000 0.0000 34284.4492 -149343.2808 299.4146 -183627.7300 -149239.7524 298.7608 -51.6388 -13.8004 555451.0593 -6.4012 -6.4126 PRESSURE: 3518600 -218.28 -11.4006 -22.0409 -11.4011 94.4692 46.6563 -22.0412 46.6576 -74.5051 GPRESSURE: 3518600 -167.2 58.2836 -11.3913 -19.7667 124.508 104.333 -37.6439 58.8956 -64.2186 PRESSAVG: 3518600 64.3004 -3.84479 7.5207 -3.84473 -24.7812 35.6732 7.52067 35.6732 -39.2438 GPRESSAVG: 3518600 64.1536 -3.35341 4.38057 -3.36546 -24.9916 35.7978 8.71228 35.8759 -38.4558 TIMING: 3518600 CPU: 10528.7, 0.00307904/step Wall: 10528.7, 0.00307904/step, 1.26703 hours remaining, 204.648438 MB of memory in use. ENERGY: 3518600 736.5371 2020.9720 1953.7086 117.8690 -206033.8109 17761.2371 0.0000 0.0000 34277.1874 -149166.2997 299.3512 -183443.4871 -149068.2659 299.2502 -66.1053 -35.6369 558100.3745 0.0918 0.2354 PRESSURE: 3518800 173.709 11.3569 -80.1527 11.3564 91.4816 72.7443 -80.1535 72.7458 -255.41 GPRESSURE: 3518800 187.479 -42.8445 -94.8421 6.74939 134.831 -5.11836 -137.586 73.3787 -222.345 PRESSAVG: 3518800 -22.6138 -51.7859 -2.35283 -51.786 31.117 25.6331 -2.35277 25.633 22.1365 GPRESSAVG: 3518800 -21.6501 -52.5701 0.0175604 -52.705 30.342 27.0335 -2.10893 25.0283 22.0083 TIMING: 3518800 CPU: 10529.3, 0.00309188/step Wall: 10529.3, 0.00309188/step, 1.27214 hours remaining, 204.648438 MB of memory in use. ENERGY: 3518800 783.7448 2101.3013 1952.0691 111.2672 -206282.2748 17941.8662 0.0000 0.0000 34373.3597 -149018.6663 300.1911 -183392.0260 -148925.6886 299.7587 3.2602 33.3214 558469.8211 10.2132 10.2334 PRESSURE: 3519000 335.429 -11.0208 73.4094 -11.0198 -66.7879 -129.829 73.4087 -129.829 -12.0094 GPRESSURE: 3519000 379.136 -21.4924 143.415 -52.1337 -52.234 -83.5481 42.0202 -133.77 28.9158 PRESSAVG: 3519000 52.6665 16.8956 -0.334364 16.8956 -7.00223 -26.2528 -0.334443 -26.2529 -46.7128 GPRESSAVG: 3519000 52.1687 17.1131 0.0596639 14.5779 -5.81216 -26.9318 -2.02059 -26.9457 -47.1172 TIMING: 3519000 CPU: 10529.9, 0.00306184/step Wall: 10529.9, 0.00306184/step, 1.25961 hours remaining, 204.648438 MB of memory in use. ENERGY: 3519000 738.7463 2085.1941 1921.2376 123.2149 -206195.2946 17919.0212 0.0000 0.0000 34255.4779 -149152.4026 299.1616 -183407.8805 -149058.8475 300.0159 85.5438 118.6060 557314.9558 -0.3495 -0.2536 PRESSURE: 3519200 153.127 50.2542 -23.0716 50.2565 -28.7734 31.9469 -23.0719 31.9463 41.0537 GPRESSURE: 3519200 185.18 78.9409 -75.6176 110.707 -13.7817 -19.5628 -78.9794 102.75 76.3597 PRESSAVG: 3519200 34.6551 41.7742 29.3916 41.7741 -49.0711 -25.5012 29.3915 -25.5012 -3.64356 GPRESSAVG: 3519200 35.765 38.731 28.7701 44.1279 -48.4438 -26.5847 28.7922 -22.6795 -5.08054 TIMING: 3519200 CPU: 10530.5, 0.00309048/step Wall: 10530.5, 0.00309048/step, 1.27122 hours remaining, 204.648438 MB of memory in use. ENERGY: 3519200 762.6087 2059.1284 1925.3346 117.9768 -206433.1374 18138.0042 0.0000 0.0000 34248.7095 -149181.3752 299.1025 -183430.0847 -149092.2588 299.8710 55.1357 82.5860 558904.8845 -6.0199 -5.9198 PRESSURE: 3519400 236.723 1.94639 100.446 1.94751 74.0253 -86.1804 100.447 -86.1786 276.059 GPRESSURE: 3519400 174.473 -30.0846 77.5581 17.8523 136.823 27.4587 151.751 -105.734 370.451 PRESSAVG: 3519400 -0.402225 -13.5081 20.7809 -13.508 -36.113 -3.29671 20.781 -3.29671 10.8649 GPRESSAVG: 3519400 -1.24913 -11.2924 24.042 -14.7444 -37.9889 -4.67031 21.2939 -3.97389 13.6341 TIMING: 3519400 CPU: 10531.1, 0.00304143/step Wall: 10531.1, 0.00304143/step, 1.25087 hours remaining, 204.648438 MB of memory in use. ENERGY: 3519400 679.3487 2071.2303 1941.9752 108.1484 -206299.4014 18045.4116 0.0000 0.0000 34403.0572 -149050.2300 300.4505 -183453.2872 -148956.4556 299.3983 195.6024 227.2489 557762.7842 -8.5501 -8.5346 PRESSURE: 3519600 147.088 75.8548 -208.452 75.8549 -76.5572 -155.174 -208.452 -155.175 118.98 GPRESSURE: 3519600 154.219 58.2544 -157.91 150.654 -9.32294 -122.652 -187.237 -88.4017 149.45 PRESSAVG: 3519600 47.6193 -23.5227 -12.3303 -23.5227 -39.1113 -73.4583 -12.3303 -73.4584 10.8804 GPRESSAVG: 3519600 48.8104 -24.0368 -13.7609 -22.3997 -38.6958 -72.9771 -13.2959 -74.943 9.9735 TIMING: 3519600 CPU: 10531.7, 0.00303799/step Wall: 10531.7, 0.00303799/step, 1.24929 hours remaining, 204.714844 MB of memory in use. ENERGY: 3519600 729.7368 2141.3398 1925.5681 120.7683 -206392.7927 17980.7379 0.0000 0.0000 34344.5781 -149150.0638 299.9397 -183494.6419 -149049.8357 300.0254 63.1701 98.1152 556955.0049 6.4628 6.6960 PRESSURE: 3519800 -66.4349 137.093 -92.0139 137.092 -164.465 0.864968 -92.0122 0.864227 -309.024 GPRESSURE: 3519800 6.09095 116.345 -96.0558 146.958 -194.343 -20.8064 -74.0508 -59.223 -260.139 PRESSAVG: 3519800 84.596 10.0443 33.9337 10.0444 -60.9665 18.9103 33.9338 18.9102 -43.9161 GPRESSAVG: 3519800 84.0414 8.62402 33.3053 10.4871 -60.5697 19.7153 35.4646 18.2521 -44.0606 TIMING: 3519800 CPU: 10532.3, 0.00302189/step Wall: 10532.3, 0.00302189/step, 1.2425 hours remaining, 204.714844 MB of memory in use. ENERGY: 3519800 731.4558 2069.0267 1929.7101 119.2962 -205901.0251 17437.4374 0.0000 0.0000 34340.9451 -149273.1539 299.9080 -183614.0990 -149177.3845 299.1572 -179.9750 -149.4636 558050.9794 -6.7622 -6.8630 PRESSURE: 3520000 22.4907 -40.9865 -176.873 -40.9865 210.702 -168.58 -176.873 -168.58 215.148 GPRESSURE: 3520000 98.8446 16.2787 -201.523 10.2939 255.474 -145.757 -108.806 -145.305 189.151 PRESSAVG: 3520000 8.82113 12.5116 9.64602 12.5117 13.2631 1.22856 9.64607 1.22864 -1.45783 GPRESSAVG: 3520000 9.38239 15.4764 8.12136 10.0965 13.8015 2.19248 9.61239 2.08752 -1.91904 TIMING: 3520000 CPU: 10532.9, 0.00300973/step Wall: 10532.9, 0.00300973/step, 1.23734 hours remaining, 204.714844 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: 3520000 738.3572 2090.5819 1923.7687 114.7339 -206506.7756 18105.2742 0.0000 0.0000 34254.0024 -149280.0572 299.1487 -183534.0596 -149176.6369 299.4326 149.4467 181.1566 556594.3651 6.8755 7.0883 PRESSURE: 3520200 1.51004 -19.5572 -108.556 -19.5569 -149.335 -7.06655 -108.555 -7.06488 -15.1485 GPRESSURE: 3520200 50.8559 -13.7366 -121.434 -82.5791 -103.318 -17.8535 -89.2266 -31.2163 -22.9795 PRESSAVG: 3520200 76.4721 4.54049 -11.8554 4.54047 -32.8694 7.44837 -11.8555 7.44825 2.58067 GPRESSAVG: 3520200 76.0932 4.58407 -10.0086 4.76648 -32.1342 6.04696 -13.9548 8.71494 2.26775 TIMING: 3520200 CPU: 10533.5, 0.00302921/step Wall: 10533.5, 0.00302921/step, 1.24517 hours remaining, 204.714844 MB of memory in use. ENERGY: 3520200 746.0028 2116.8842 1938.0270 99.6876 -206463.2271 17765.6957 0.0000 0.0000 34434.2540 -149362.6757 300.7229 -183796.9298 -149262.3538 299.0429 -54.3244 -25.1474 557789.4540 15.3944 15.4089 LDB: ============= START OF LOAD BALANCING ============== 10537 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10537 LDB: =============== DONE WITH MIGRATION ================ 10537 LDB: ============= START OF LOAD BALANCING ============== 10537.3 LDB: Largest compute 4820 load 0.025605 is 21.7% of average load 0.118053 LDB: Average compute 0.001724 is 1.5% of average load 0.118053 LDB: TIME 10537.3 LOAD: AVG 0.118053 MAX 0.217619 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.25 MB LDB: TIME 10537.3 LOAD: AVG 0.118053 MAX 0.217619 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 10537.3 LOAD: AVG 0.118053 MAX 0.217619 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10537.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10537.3 PRESSURE: 3520400 -248.864 -211.456 12.5857 -211.457 -288.916 87.7092 12.585 87.7102 -191.048 GPRESSURE: 3520400 -207.867 -192.414 9.20414 -181.391 -299.15 119.815 2.91345 10.4541 -119.873 PRESSAVG: 3520400 5.5122 -25.5438 25.0328 -25.5438 15.1012 5.1551 25.0328 5.15501 -25.462 GPRESSAVG: 3520400 5.94397 -24.3661 23.6315 -26.6021 14.0298 6.3391 25.7287 3.94045 -25.2374 TIMING: 3520400 CPU: 10534.2, 0.00309152/step Wall: 10534.2, 0.00309152/step, 1.27062 hours remaining, 206.773438 MB of memory in use. ENERGY: 3520400 762.6972 2053.9308 1947.9250 118.8977 -205999.0331 17437.9876 0.0000 0.0000 34477.2472 -149200.3475 301.0984 -183677.5947 -149096.7526 299.7667 -242.9429 -208.9636 558457.9016 -1.6162 -1.7546 PRESSURE: 3520600 -84.4025 102.961 85.4322 102.96 172.822 -25.0424 85.4334 -25.0424 140.622 GPRESSURE: 3520600 -43.7834 -23.3692 118.23 122.897 165.464 -92.1872 94.8451 -58.5393 207.923 PRESSAVG: 3520600 -64.5549 33.5367 11.9628 33.5366 -35.36 28.7822 11.9628 28.7824 55.3203 GPRESSAVG: 3520600 -66.7873 31.8579 11.5667 37.6612 -34.031 27.0506 12.0901 29.4536 56.1995 TIMING: 3520600 CPU: 10534.8, 0.00301216/step Wall: 10534.8, 0.00301216/step, 1.23783 hours remaining, 206.773438 MB of memory in use. ENERGY: 3520600 739.3281 2075.8601 1914.0766 101.7566 -206269.4618 17900.9517 0.0000 0.0000 34410.3480 -149127.1407 300.5141 -183537.4887 -149033.3616 299.0125 76.3474 109.8680 557348.5975 -14.8648 -14.8729 PRESSURE: 3520800 95.6447 5.55151 196.967 5.55025 8.6773 -87.025 196.967 -87.0264 -66.5092 GPRESSURE: 3520800 159.174 -33.7313 210.816 1.8486 16.2656 -107.727 135.037 -55.6776 -38.8868 PRESSAVG: 3520800 8.29591 -32.8858 0.209946 -32.8858 -19.7345 -11.211 0.209968 -11.211 41.9059 GPRESSAVG: 3520800 10.1326 -34.2227 0.714085 -33.2931 -21.2924 -9.52693 1.10949 -10.2553 41.6725 TIMING: 3520800 CPU: 10535.4, 0.00302867/step Wall: 10535.4, 0.00302867/step, 1.24445 hours remaining, 206.773438 MB of memory in use. ENERGY: 3520800 705.8496 2103.5136 1950.7385 125.0553 -206011.2628 17812.6211 0.0000 0.0000 34450.0036 -148863.4810 300.8605 -183313.4846 -148768.7095 300.0904 12.6043 45.5176 559455.7722 10.1558 10.1709 PRESSURE: 3521000 -6.49947 119.847 94.7864 119.846 188.457 104.647 94.7874 104.647 54.0635 GPRESSURE: 3521000 20.5172 71.5011 24.1204 115.811 213.047 110.921 73.1611 69.0062 98.376 PRESSAVG: 3521000 -32.5666 40.6991 -7.98612 40.6991 24.7083 50.2231 -7.98617 50.223 22.3694 GPRESSAVG: 3521000 -32.8674 41.1338 -7.39576 38.4557 25.6423 48.2214 -10.2532 49.3197 22.3734 TIMING: 3521000 CPU: 10536, 0.00301009/step Wall: 10536, 0.00301009/step, 1.23665 hours remaining, 206.773438 MB of memory in use. ENERGY: 3521000 714.0746 2155.8360 1949.7330 110.9714 -206224.3406 17993.0574 0.0000 0.0000 34383.8567 -148916.8115 300.2828 -183300.6682 -148826.6928 299.8777 78.6736 110.6468 558146.2676 4.8370 5.0494 PRESSURE: 3521200 -56.015 -103.595 -182.877 -103.594 -20.7457 52.7638 -182.878 52.7645 171.09 GPRESSURE: 3521200 5.44859 -96.7382 -83.6948 -116.725 -39.7284 112.469 -216.074 64.4056 232.698 PRESSAVG: 3521200 -33.7849 21.1994 -6.25522 21.1994 76.8626 20.8417 -6.25524 20.8418 -48.5269 GPRESSAVG: 3521200 -34.3598 22.2933 -6.8815 21.9029 75.6787 23.2306 -4.63671 19.0158 -46.9248 TIMING: 3521200 CPU: 10536.6, 0.00300823/step Wall: 10536.6, 0.00300823/step, 1.23571 hours remaining, 206.773438 MB of memory in use. ENERGY: 3521200 718.2424 2095.1524 1925.2035 118.7843 -205910.7185 17856.7899 0.0000 0.0000 34243.2892 -148953.2568 299.0552 -183196.5460 -148854.7795 300.4320 31.4431 66.1395 558659.1773 -1.8164 -1.8686 PRESSURE: 3521400 -171.95 -68.6486 -36.7483 -68.6485 -51.6677 53.9897 -36.7473 53.9889 145.552 GPRESSURE: 3521400 -65.7535 -27.0072 -27.2109 -64.447 -69.8171 36.9382 -44.1228 76.8964 148.331 PRESSAVG: 3521400 -15.7511 0.0555982 -42.0613 0.0555855 -40.3994 64.58 -42.0613 64.5801 67.366 GPRESSAVG: 3521400 -14.4703 -2.02787 -40.7907 -0.969748 -39.7507 65.5595 -42.707 64.3388 65.6103 TIMING: 3521400 CPU: 10537.2, 0.00304724/step Wall: 10537.2, 0.00304724/step, 1.25157 hours remaining, 206.773438 MB of memory in use. ENERGY: 3521400 745.7430 2161.5944 1984.2167 106.2226 -205936.9732 17864.1629 0.0000 0.0000 34272.3012 -148802.7324 299.3085 -183075.0336 -148713.5945 300.0451 -26.0218 4.2536 557719.0432 3.7385 3.7965 PRESSURE: 3521600 -118.255 26.3674 22.132 26.3677 -172.75 -102.736 22.13 -102.736 -205.158 GPRESSURE: 3521600 -101.246 9.10987 7.30872 63.1776 -147.306 -93.3045 6.09407 -41.4756 -149.388 PRESSAVG: 3521600 -56.1313 -37.7358 -33.7141 -37.7358 105.948 -8.22523 -33.7142 -8.22536 -19.7745 GPRESSAVG: 3521600 -56.5438 -38.5171 -34.547 -36.2109 104.433 -11.3181 -34.2602 -5.08843 -18.3867 TIMING: 3521600 CPU: 10537.8, 0.00307249/step Wall: 10537.8, 0.00307249/step, 1.26177 hours remaining, 206.773438 MB of memory in use. ENERGY: 3521600 727.2204 2061.8700 1951.3776 107.6645 -205875.7428 17667.7178 0.0000 0.0000 34470.8883 -148889.0042 301.0428 -183359.8925 -148787.1958 300.6698 -165.3876 -132.6465 558802.9777 10.0141 9.8343 PRESSURE: 3521800 233.109 20.8501 -159.466 20.8496 144.693 32.5752 -159.467 32.5736 114.084 GPRESSURE: 3521800 215.023 -43.8583 -232.373 47.7471 201.874 87.7894 -125.629 2.36545 160.169 PRESSAVG: 3521800 -23.8092 1.761 -3.83097 1.76101 -10.2567 -15.3507 -3.831 -15.3507 23.7042 GPRESSAVG: 3521800 -22.713 4.51187 -2.00908 0.683925 -9.22063 -14.5496 -3.28002 -17.3055 21.7055 TIMING: 3521800 CPU: 10538.4, 0.00309485/step Wall: 10538.4, 0.00309485/step, 1.27078 hours remaining, 206.773438 MB of memory in use. ENERGY: 3521800 741.0440 2050.8146 1974.1486 98.1317 -206329.9084 18063.3535 0.0000 0.0000 34630.0395 -148772.3764 302.4327 -183402.4159 -148678.3982 300.3083 163.9621 192.3557 557646.5387 -3.4539 -3.4094 PRESSURE: 3522000 55.3077 -2.8204 -8.62967 -2.82066 15.3734 -25.1453 -8.62774 -25.1447 -74.658 GPRESSURE: 3522000 103.122 -9.44109 -98.0238 24.7539 82.4029 -44.9812 -25.2644 -92.1299 -98.4382 PRESSAVG: 3522000 49.1556 11.7688 -25.0339 11.769 13.3099 38.8924 -25.034 38.8924 -24.6406 GPRESSAVG: 3522000 47.8717 12.2219 -26.3763 13.4951 14.1935 38.506 -23.7022 41.4232 -24.7773 TIMING: 3522000 CPU: 10539, 0.0030475/step Wall: 10539, 0.0030475/step, 1.25117 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: 3522000 761.5478 2115.1110 1958.9142 111.2274 -205791.3985 17697.2712 0.0000 0.0000 34369.2471 -148778.0798 300.1552 -183147.3268 -148673.8917 300.7830 -1.3256 29.0290 559271.8696 12.6083 12.4293 PRESSURE: 3522200 -265.443 -14.6023 -55.1307 -14.6016 -189.057 31.5964 -55.1322 31.5981 -208.235 GPRESSURE: 3522200 -281.75 -42.3115 55.461 36.4392 -155.372 33.6935 -94.5573 72.1166 -135.158 PRESSAVG: 3522200 -30.3774 1.76516 -12.4181 1.76521 87.906 23.4794 -12.4181 23.4795 -34.1662 GPRESSAVG: 3522200 -30.7293 -0.165628 -13.9301 1.8317 87.4133 23.9105 -13.5426 21.2338 -32.9082 TIMING: 3522200 CPU: 10539.6, 0.00304057/step Wall: 10539.6, 0.00304057/step, 1.24815 hours remaining, 206.773438 MB of memory in use. ENERGY: 3522200 732.6289 2068.0178 1924.1236 116.6684 -205471.8119 17396.5623 0.0000 0.0000 34401.4731 -148832.3378 300.4366 -183233.8109 -148728.6754 300.6320 -220.9115 -190.7600 558324.1397 7.7875 7.9253 PRESSURE: 3522400 85.5745 -20.4074 -48.0081 -20.4076 -239.429 -3.8889 -48.0089 -3.88907 -132.05 GPRESSURE: 3522400 85.8158 -10.2324 -10.4775 35.4481 -175.191 -28.3843 -99.712 25.7554 -95.2244 PRESSAVG: 3522400 40.0098 -4.33918 4.37619 -4.33922 -3.08802 81.0245 4.37625 81.0245 -63.8307 GPRESSAVG: 3522400 40.4167 -4.28 3.86895 -4.189 -3.13909 81.0711 3.64581 81.6478 -64.4641 TIMING: 3522400 CPU: 10540.2, 0.00303681/step Wall: 10540.2, 0.00303681/step, 1.24644 hours remaining, 206.773438 MB of memory in use. ENERGY: 3522400 743.6195 2070.1374 1993.4048 123.8536 -205660.2075 17569.2279 0.0000 0.0000 34604.9861 -148554.9783 302.2140 -183159.9644 -148462.6537 301.2490 -95.3012 -61.5333 558428.6555 -8.9696 -9.0621 PRESSURE: 3522600 -11.2612 -6.44112 175.067 -6.44127 202.196 63.8468 175.067 63.8457 307.053 GPRESSURE: 3522600 5.20083 87.2142 168.631 -67.694 233.578 6.9211 168.099 84.1777 344.746 PRESSAVG: 3522600 5.9399 5.64408 -27.585 5.64413 1.96038 -34.523 -27.5851 -34.5231 -34.0526 GPRESSAVG: 3522600 7.49365 6.75329 -26.2824 4.14184 1.61427 -34.2959 -25.3113 -36.6799 -36.0902 TIMING: 3522600 CPU: 10540.8, 0.00303051/step Wall: 10540.8, 0.00303051/step, 1.24369 hours remaining, 206.773438 MB of memory in use. ENERGY: 3522600 744.9295 2163.1418 1969.1950 116.6097 -206159.3563 17912.4337 0.0000 0.0000 34501.0105 -148752.0361 301.3059 -183253.0466 -148653.8160 300.7654 165.9962 194.5081 556136.9607 -8.7174 -8.9941 PRESSURE: 3522800 27.9791 -76.0497 92.4981 -76.0486 263.386 33.0849 92.4972 33.0847 82.5576 GPRESSURE: 3522800 57.0818 -14.3212 59.351 -111.967 285.143 7.78943 86.2621 98.8686 137.73 PRESSAVG: 3522800 -45.1169 39.8068 -27.0795 39.8067 86.2717 9.11636 -27.0795 9.11634 -24.7857 GPRESSAVG: 3522800 -46.8682 40.7409 -27.9034 39.3132 86.3535 9.05661 -30.8555 9.64585 -22.8545 TIMING: 3522800 CPU: 10541.4, 0.00304658/step Wall: 10541.4, 0.00304658/step, 1.25011 hours remaining, 206.773438 MB of memory in use. ENERGY: 3522800 754.1331 2065.6686 1954.9171 126.9113 -206090.5447 17964.4001 0.0000 0.0000 34310.2195 -148914.2950 299.6397 -183224.5144 -148811.3566 300.1952 124.6408 159.9852 556110.0156 5.4564 5.5436 PRESSURE: 3523000 -109.291 167.05 13.3766 167.05 -3.78355 -43.5535 13.3769 -43.5531 -67.2063 GPRESSURE: 3523000 -89.7075 219.683 7.4643 134.277 72.1325 20.0127 37.6788 -95.862 -67.9038 PRESSAVG: 3523000 -68.4875 3.34337 -40.6045 3.34351 79.3566 42.6219 -40.6044 42.622 -0.805031 GPRESSAVG: 3523000 -68.8708 3.0279 -38.9961 2.9292 80.4576 42.6668 -38.2733 43.4751 -1.10051 TIMING: 3523000 CPU: 10542.1, 0.00307813/step Wall: 10542.1, 0.00307813/step, 1.26289 hours remaining, 206.773438 MB of memory in use. ENERGY: 3523000 772.8212 2081.4818 1942.8500 113.8649 -205851.0712 17575.2651 0.0000 0.0000 34525.7442 -148839.0439 301.5219 -183364.7881 -148749.9859 300.4967 -60.0935 -28.4929 556939.0214 3.3547 3.4954 PRESSURE: 3523200 440.553 -15.5529 -82.6825 -15.5535 288.609 70.5824 -82.6813 70.5849 305.769 GPRESSURE: 3523200 453.076 -21.9013 -5.96876 47.2951 357.707 -21.3516 -106.12 82.7219 328.136 PRESSAVG: 3523200 6.63131 35.0631 -14.8716 35.0631 43.7817 -38.7513 -14.8716 -38.7512 -44.3458 GPRESSAVG: 3523200 7.15492 35.2932 -15.8426 34.7399 43.2356 -38.3812 -16.4537 -40.0581 -43.8948 TIMING: 3523200 CPU: 10542.7, 0.00305338/step Wall: 10542.7, 0.00305338/step, 1.25256 hours remaining, 206.773438 MB of memory in use. ENERGY: 3523200 703.5806 2084.7899 1964.7631 114.3549 -206449.6782 18142.2504 0.0000 0.0000 34491.5765 -148948.3627 301.2235 -183439.9392 -148847.8561 300.4410 344.9769 379.6396 556628.0318 2.0224 2.1653 PRESSURE: 3523400 -9.58269 68.3649 80.0715 68.3646 88.2398 30.0464 80.0731 30.0461 5.97344 GPRESSURE: 3523400 45.7933 178.495 74.9452 7.12465 89.4882 56.7801 89.4756 13.7825 50.0432 PRESSAVG: 3523400 -0.864471 28.1813 6.82399 28.1813 17.6887 -50.7611 6.82406 -50.7611 -63.4794 GPRESSAVG: 3523400 -1.95493 28.1353 5.67527 29.1606 18.7322 -50.9654 9.04819 -51.7413 -63.1722 TIMING: 3523400 CPU: 10543.3, 0.00303816/step Wall: 10543.3, 0.00303816/step, 1.24615 hours remaining, 206.773438 MB of memory in use. ENERGY: 3523400 771.3334 2028.4037 1951.8386 115.0546 -206537.9133 18135.4330 0.0000 0.0000 34451.8719 -149083.9781 300.8768 -183535.8500 -148984.8531 299.2594 28.2102 61.7749 558808.3044 -15.5517 -15.4650 PRESSURE: 3523600 47.6728 9.52648 56.1833 9.52545 -66.7252 -85.4058 56.1827 -85.4056 32.7356 GPRESSURE: 3523600 80.4378 58.1037 -21.0405 -4.58667 -22.8576 -47.6404 102.47 -41.9122 63.7337 PRESSAVG: 3523600 -69.0076 -14.1815 -1.792 -14.1816 -19.1901 -23.4522 -1.79195 -23.4522 37.3567 GPRESSAVG: 3523600 -68.1677 -14.7045 1.02327 -14.7269 -20.0466 -21.9378 -4.25564 -21.8466 38.2247 TIMING: 3523600 CPU: 10543.9, 0.00302998/step Wall: 10543.9, 0.00302998/step, 1.24263 hours remaining, 206.773438 MB of memory in use. ENERGY: 3523600 765.6206 2057.4903 1950.5790 114.8542 -206198.1238 17945.8146 0.0000 0.0000 34229.1670 -149134.5982 298.9318 -183363.7651 -149042.0460 299.7398 4.5611 40.4379 558910.3282 -16.9470 -16.6632 PRESSURE: 3523800 68.4468 32.6182 -168.783 32.6187 -161.539 -49.4077 -168.783 -49.4088 -88.7498 GPRESSURE: 3523800 144.735 99.4315 -131.368 31.9028 -127.511 -141.636 -155.529 -85.549 -102.804 PRESSAVG: 3523800 53.3907 -11.1878 8.26552 -11.1878 19.4819 -3.45839 8.26555 -3.45827 -53.115 GPRESSAVG: 3523800 53.99 -9.34293 7.50936 -10.0704 20.0814 -5.32593 9.21093 -4.85015 -53.9672 TIMING: 3523800 CPU: 10544.5, 0.00302231/step Wall: 10544.5, 0.00302231/step, 1.23931 hours remaining, 206.773438 MB of memory in use. ENERGY: 3523800 765.0250 2052.1742 1940.2729 111.9733 -206180.0338 17810.0397 0.0000 0.0000 34231.5855 -149268.9632 298.9530 -183500.5487 -149181.9706 299.0459 -60.6138 -28.5267 556433.4657 6.5859 6.7014 PRESSURE: 3524000 73.7446 -104.68 79.6229 -104.679 -28.3392 -76.5779 79.6225 -76.5783 -16.9421 GPRESSURE: 3524000 135.885 -118.209 -12.8211 -101.497 -74.4888 -121.879 88.7003 -179.995 61.0006 PRESSAVG: 3524000 76.4584 -8.19733 -11.0907 -8.19735 -37.1431 52.8091 -11.0907 52.8092 -6.87405 GPRESSAVG: 3524000 76.4005 -10.6365 -12.5262 -10.378 -37.0006 51.3182 -7.89902 53.4839 -6.56174 TIMING: 3524000 CPU: 10545.1, 0.00304466/step Wall: 10545.1, 0.00304466/step, 1.24831 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: 3524000 735.4347 2067.6016 1948.2884 109.4134 -206153.9538 17658.7680 0.0000 0.0000 34305.8513 -149328.5964 299.6015 -183634.4478 -149233.9609 298.8669 9.4878 40.7991 557104.3450 10.8138 10.9460 PRESSURE: 3524200 57.4149 59.2654 -86.1896 59.2664 98.0192 -44.7999 -86.1895 -44.8023 60.2986 GPRESSURE: 3524200 106.387 40.7839 -164.608 64.8904 150.97 -10.0456 -52.4679 -4.36466 60.3554 PRESSAVG: 3524200 38.6999 31.287 26.2827 31.2871 56.2013 32.4877 26.2828 32.4877 -72.1649 GPRESSAVG: 3524200 39.6029 32.9609 26.2017 31.9273 56.4765 35.7895 23.5464 33.5867 -72.4982 TIMING: 3524200 CPU: 10545.7, 0.00309998/step Wall: 10545.7, 0.00309998/step, 1.27082 hours remaining, 206.773438 MB of memory in use. ENERGY: 3524200 709.0112 2125.1737 1934.5784 103.8982 -206229.5059 17870.0999 0.0000 0.0000 34041.6440 -149445.1006 297.2941 -183486.7446 -149350.5551 298.0712 71.9109 105.9040 556725.4669 7.5788 7.8604 LDB: ============= START OF LOAD BALANCING ============== 10549.2 LDB: ============== END OF LOAD BALANCING =============== 10549.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10549.2 LDB: ============= START OF LOAD BALANCING ============== 10549.5 LDB: Largest compute 4820 load 0.024019 is 20.3% of average load 0.118108 LDB: Average compute 0.001721 is 1.5% of average load 0.118108 LDB: TIME 10549.5 LOAD: AVG 0.118108 MAX 0.222887 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.492 MB LDB: TIME 10549.5 LOAD: AVG 0.118108 MAX 0.222887 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.496 MB LDB: TIME 10549.5 LOAD: AVG 0.118108 MAX 0.222887 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.496 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10549.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10549.5 PRESSURE: 3524400 53.1736 -142.651 117.405 -142.652 -81.6478 261.248 117.405 261.247 -31.0402 GPRESSURE: 3524400 127.605 -181.959 58.627 -104.703 -64.9181 257.671 129.644 198.51 -22.4208 PRESSAVG: 3524400 20.5522 -29.5623 39.3646 -29.5623 6.82779 55.915 39.3646 55.915 0.170206 GPRESSAVG: 3524400 20.0188 -31.2425 40.754 -28.9306 8.03321 55.3775 38.1359 53.5728 -0.24492 TIMING: 3524400 CPU: 10546.3, 0.00312378/step Wall: 10546.3, 0.00312378/step, 1.2804 hours remaining, 207.281250 MB of memory in use. ENERGY: 3524400 734.6428 2102.3036 1930.1918 96.9291 -206209.8054 17803.5185 0.0000 0.0000 34187.6835 -149354.5362 298.5695 -183542.2198 -149257.3647 298.4890 -19.8381 13.4221 557540.9021 9.1834 9.2690 PRESSURE: 3524600 140.588 -51.5709 -26.0412 -51.5707 -27.1388 74.6666 -26.0419 74.6672 -24.8509 GPRESSURE: 3524600 144.34 -107.846 19.0666 17.0018 -10.5753 170.386 -76.6991 102.329 53.1359 PRESSAVG: 3524600 5.34106 -8.99404 1.28267 -8.99405 15.2854 16.1407 1.28267 16.1405 -31.9334 GPRESSAVG: 3524600 6.15592 -8.4004 0.790331 -10.5624 14.3928 15.1602 4.16419 19.3085 -32.2475 TIMING: 3524600 CPU: 10547, 0.00309057/step Wall: 10547, 0.00309057/step, 1.26662 hours remaining, 207.484375 MB of memory in use. ENERGY: 3524600 740.0411 2081.8714 1952.5941 118.1184 -206422.1257 17970.3054 0.0000 0.0000 34152.7361 -149406.4590 298.2643 -183559.1951 -149313.7941 298.7525 29.5329 62.3001 557066.7614 -3.7690 -3.8996 PRESSURE: 3524800 187.276 229.956 61.9316 229.956 -88.3808 5.74531 61.9308 5.74584 -406.614 GPRESSURE: 3524800 112.764 205.021 0.365528 132.383 28.9325 97.8475 83.5029 -15.5095 -353.613 PRESSAVG: 3524800 11.847 27.1518 38.1494 27.1518 31.4991 25.277 38.1494 25.2769 -29.4922 GPRESSAVG: 3524800 9.83451 26.9934 36.0116 27.8493 32.8852 25.4641 36.6268 24.8463 -28.8983 TIMING: 3524800 CPU: 10547.6, 0.00305885/step Wall: 10547.6, 0.00305885/step, 1.25345 hours remaining, 207.484375 MB of memory in use. ENERGY: 3524800 764.3347 2095.6537 1949.3155 112.6754 -206259.1279 17820.3093 0.0000 0.0000 34112.0303 -149404.8089 297.9088 -183516.8393 -149304.1879 297.7617 -102.5728 -70.6389 558420.2480 4.6180 4.6071 PRESSURE: 3525000 118.343 58.5686 -102.643 58.5685 35.3446 22.6159 -102.642 22.616 354.888 GPRESSURE: 3525000 172.958 8.49243 -217.721 43.7867 97.7302 56.7682 -62.9463 -7.99489 343.351 PRESSAVG: 3525000 0.328696 25.3709 -22.6404 25.3709 -7.29912 -49.5241 -22.6404 -49.5241 8.30534 GPRESSAVG: 3525000 1.53914 25.0183 -19.968 26.718 -8.68929 -50.5914 -25.4079 -49.0554 8.94544 TIMING: 3525000 CPU: 10548.2, 0.00306049/step Wall: 10548.2, 0.00306049/step, 1.25395 hours remaining, 207.484375 MB of memory in use. ENERGY: 3525000 737.2269 2097.9587 1930.9694 123.9256 -206946.9424 18278.5931 0.0000 0.0000 34361.4690 -149416.7998 300.0873 -183778.2688 -149316.8144 298.7614 169.5254 204.6794 557449.5864 0.4450 0.5984 PRESSURE: 3525200 141.654 -152.774 -15.0854 -152.772 89.1732 -233.556 -15.0851 -233.556 4.16954 GPRESSURE: 3525200 194.592 -69.4902 58.0109 -148.67 69.9886 -274.591 23.067 -241.039 61.923 PRESSAVG: 3525200 40.4702 -17.4975 6.86674 -17.4975 -18.4127 -43.9058 6.86666 -43.9059 -36.9141 GPRESSAVG: 3525200 41.0414 -14.1133 6.27211 -17.7158 -19.3444 -43.8637 7.51096 -44.9971 -36.3725 TIMING: 3525200 CPU: 10548.8, 0.00307286/step Wall: 10548.8, 0.00307286/step, 1.25885 hours remaining, 207.484375 MB of memory in use. ENERGY: 3525200 733.7691 2051.2376 1898.6901 114.2927 -206549.6883 18027.4230 0.0000 0.0000 34364.8360 -149359.4399 300.1167 -183724.2759 -149263.2515 298.8937 78.3324 108.8345 556489.0815 -4.9522 -4.8918 PRESSURE: 3525400 -73.5443 -139.739 -67.8253 -139.74 22.0182 -96.542 -67.8255 -96.5417 20.7639 GPRESSURE: 3525400 -21.9248 -131.117 -54.3488 -96.4161 36.9051 -42.6476 -64.395 -176.379 52.5254 PRESSAVG: 3525400 -17.5453 -14.0229 -29.3673 -14.0229 33.6055 -81.3931 -29.3673 -81.393 -16.1831 GPRESSAVG: 3525400 -17.8079 -15.0062 -28.9407 -14.4303 34.7262 -80.63 -29.584 -82.8115 -16.6399 TIMING: 3525400 CPU: 10549.4, 0.003054/step Wall: 10549.4, 0.003054/step, 1.25095 hours remaining, 207.484375 MB of memory in use. ENERGY: 3525400 732.7598 2087.9656 1924.2643 101.1437 -206167.0853 17768.4071 0.0000 0.0000 33992.3746 -149560.1702 296.8639 -183552.5448 -149466.1137 298.5799 -10.2541 22.5019 559580.4492 -0.0410 0.0928 PRESSURE: 3525600 32.6065 -119.682 54.9688 -119.683 -15.209 -6.4629 54.9682 -6.46092 137.684 GPRESSURE: 3525600 103.042 -111.283 2.74949 -113.274 69.1703 -47.9771 59.2301 16.655 74.8441 PRESSAVG: 3525600 64.4642 -11.8343 -16.7458 -11.8343 -17.8974 -35.3446 -16.7457 -35.3445 -28.7064 GPRESSAVG: 3525600 65.1492 -11.8999 -17.4697 -13.8914 -17.7099 -35.9995 -15.3295 -35.0653 -29.5608 TIMING: 3525600 CPU: 10550, 0.00307913/step Wall: 10550, 0.00307913/step, 1.26107 hours remaining, 207.484375 MB of memory in use. ENERGY: 3525600 751.2516 2064.6044 1944.7824 114.3200 -206631.7968 18044.5695 0.0000 0.0000 34227.4766 -149484.7923 298.9171 -183712.2689 -149385.2351 298.0306 51.6937 82.3522 559595.2904 5.9535 5.9595 PRESSURE: 3525800 -51.8066 133.173 166.366 133.173 6.20024 -133.603 166.368 -133.604 -121.553 GPRESSURE: 3525800 -37.8259 34.7923 148.318 157.686 -2.03938 -80.467 171.291 -112.488 -35.0652 PRESSAVG: 3525800 -63.9573 13.1109 -36.1054 13.1108 -6.37576 80.2417 -36.1054 80.2415 27.6377 GPRESSAVG: 3525800 -63.6798 11.1756 -36.1984 14.348 -6.38976 80.2862 -36.5749 80.9012 26.7965 TIMING: 3525800 CPU: 10550.6, 0.00307963/step Wall: 10550.6, 0.00307963/step, 1.26111 hours remaining, 207.484375 MB of memory in use. ENERGY: 3525800 731.2350 2052.2803 1936.0741 111.4106 -206411.2340 17952.5904 0.0000 0.0000 34255.7563 -149371.8873 299.1640 -183627.6436 -149268.8847 298.1854 -55.7198 -24.9768 558117.0370 -14.2318 -14.4244 PRESSURE: 3526000 -124.557 -21.4209 166.213 -21.4211 -139.617 -31.5093 166.213 -31.5102 -310.453 GPRESSURE: 3526000 -119.981 37.8533 146.855 -67.9997 -56.5757 -56.5316 173.772 -9.55365 -300.765 PRESSAVG: 3526000 17.3048 14.7947 8.08165 14.7947 19.9688 24.0466 8.08161 24.0466 1.09737 GPRESSAVG: 3526000 16.4893 16.0627 8.95863 13.9107 20.3174 23.9162 6.77028 26.4312 2.22915 TIMING: 3526000 CPU: 10551.3, 0.00306046/step Wall: 10551.3, 0.00306046/step, 1.25309 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: 3526000 731.6861 2035.0376 1942.3835 110.7372 -206281.0700 17757.5057 0.0000 0.0000 34499.6779 -149204.0420 301.2943 -183703.7199 -149110.2665 299.3752 -191.5421 -159.1072 557893.5147 12.7903 13.0119 PRESSURE: 3526200 -50.7057 -143.118 -154.969 -143.118 141.85 6.85787 -154.969 6.85919 -186.035 GPRESSURE: 3526200 11.237 -131.039 -112.593 -42.0343 172.693 95.2212 -78.4668 -47.155 -175.183 PRESSAVG: 3526200 -15.263 -32.4618 25.1386 -32.4617 28.1226 27.8446 25.1386 27.8446 -30.6512 GPRESSAVG: 3526200 -15.8206 -33.1953 24.0595 -30.5345 27.2774 28.3451 27.2818 26.9156 -29.1335 TIMING: 3526200 CPU: 10551.9, 0.00306933/step Wall: 10551.9, 0.00306933/step, 1.25655 hours remaining, 207.484375 MB of memory in use. ENERGY: 3526200 718.3329 2106.3918 1956.1633 113.2284 -206213.2921 17656.6287 0.0000 0.0000 34381.5338 -149281.0133 300.2625 -183662.5471 -149183.7051 298.9872 -31.6301 2.9157 556651.7442 -5.9305 -5.8922 PRESSURE: 3526400 147.167 -86.1142 39.714 -86.1132 -44.3814 -15.0276 39.7132 -15.0269 -28.7317 GPRESSURE: 3526400 188.72 -18.7641 -59.3596 -173.605 -15.9883 -81.9621 95.4957 -17.2822 -8.66016 PRESSAVG: 3526400 -36.0903 -50.3219 -50.8552 -50.3219 38.2756 28.9059 -50.8552 28.9059 4.48885 GPRESSAVG: 3526400 -35.6645 -50.349 -51.6234 -51.2845 38.6555 29.5739 -50.9924 29.2847 3.03792 TIMING: 3526400 CPU: 10552.5, 0.00305886/step Wall: 10552.5, 0.00305886/step, 1.25209 hours remaining, 207.484375 MB of memory in use. ENERGY: 3526400 726.7559 2067.5754 1954.6964 98.7881 -206350.1822 18014.3529 0.0000 0.0000 34361.2083 -149126.8053 300.0850 -183488.0135 -149030.5188 299.2136 24.6846 54.6906 556912.8154 2.2247 2.0096 PRESSURE: 3526600 -144.205 -103.416 -131.184 -103.415 183.367 -215.483 -131.185 -215.482 -33.0932 GPRESSURE: 3526600 -86.4515 -77.8555 -170.896 -135.832 204.259 -77.6465 -190.186 -266.48 -14.1187 PRESSAVG: 3526600 27.7967 17.6231 -14.3347 17.6231 64.5978 4.3781 -14.3346 4.37811 -22.1263 GPRESSAVG: 3526600 27.7153 18.5599 -13.0492 17.9562 63.982 5.41402 -13.4633 3.70803 -20.6362 TIMING: 3526600 CPU: 10553.1, 0.00308912/step Wall: 10553.1, 0.00308912/step, 1.26431 hours remaining, 207.484375 MB of memory in use. ENERGY: 3526600 743.1064 2045.5617 1958.6973 110.9083 -206437.4569 17910.7054 0.0000 0.0000 34483.1108 -149185.3670 301.1496 -183668.4778 -149085.7301 299.3930 2.0230 34.5631 557698.6042 23.4227 23.6870 PRESSURE: 3526800 -259.167 -92.5788 111.344 -92.5803 139.317 52.9168 111.344 52.9159 -111.396 GPRESSURE: 3526800 -186.298 -68.9183 131.052 -75.9212 192.815 137.552 91.4035 -38.3773 -138.513 PRESSAVG: 3526800 -49.8055 -42.9895 -1.95374 -42.9896 50.5318 5.2303 -1.95388 5.23019 -3.88553 GPRESSAVG: 3526800 -49.4173 -42.9427 -0.553848 -43.9385 50.8283 4.98874 -5.36674 5.00054 -4.03526 TIMING: 3526800 CPU: 10553.7, 0.0030652/step Wall: 10553.7, 0.0030652/step, 1.25435 hours remaining, 207.484375 MB of memory in use. ENERGY: 3526800 777.6672 2076.6672 1930.4410 117.4593 -205903.4042 17733.4928 0.0000 0.0000 34212.0775 -149055.5991 298.7826 -183267.6766 -148962.2427 299.4743 -77.0819 -43.9987 557039.8523 -1.0531 -0.8747 PRESSURE: 3527000 38.2368 -43.0801 61.8714 -43.0801 -196.999 52.4562 61.8709 52.4548 46.9118 GPRESSURE: 3527000 72.6391 -43.755 32.8272 -21.8924 -176.915 121.717 71.4058 91.5045 91.6929 PRESSAVG: 3527000 -8.59088 -34.7873 4.25835 -34.7873 -75.1509 -20.0941 4.25839 -20.094 34.8536 GPRESSAVG: 3527000 -8.31613 -36.0196 2.89536 -32.865 -75.7191 -21.246 7.28342 -21.1331 34.7237 TIMING: 3527000 CPU: 10554.3, 0.00305146/step Wall: 10554.3, 0.00305146/step, 1.24855 hours remaining, 207.484375 MB of memory in use. ENERGY: 3527000 748.1574 2070.7632 1942.3160 108.9461 -206121.5418 17825.6768 0.0000 0.0000 34265.3623 -149160.3199 299.2479 -183425.6822 -149065.3862 299.9246 -37.2834 -4.1943 557855.3966 -16.2960 -16.4372 PRESSURE: 3527200 -116.541 -25.4559 -42.7582 -25.4545 113.491 77.0797 -42.759 77.0782 -15.5875 GPRESSURE: 3527200 -112.141 69.112 -51.3322 -24.4299 170.522 125.041 11.6711 95.3919 5.14696 PRESSAVG: 3527200 -20.5587 16.6607 4.66943 16.6606 57.0077 30.8417 4.6694 30.8417 -16.0113 GPRESSAVG: 3527200 -20.2578 16.8495 4.70619 16.1632 56.6821 31.6856 3.45952 31.0802 -16.0136 TIMING: 3527200 CPU: 10554.9, 0.00303642/step Wall: 10554.9, 0.00303642/step, 1.24223 hours remaining, 207.484375 MB of memory in use. ENERGY: 3527200 758.3787 2131.7356 1924.2648 97.7238 -206276.0120 17972.0803 0.0000 0.0000 34162.7417 -149229.0871 298.3517 -183391.8288 -149125.5322 299.9388 -6.2125 21.1760 558159.1638 6.8126 6.8036 PRESSURE: 3527400 67.1426 -56.0461 47.7207 -56.046 -102.743 -159.632 47.7213 -159.632 -105.81 GPRESSURE: 3527400 61.1684 -107.816 67.5603 10.6741 -25.6026 -237.987 -2.7924 -41.5474 -68.295 PRESSAVG: 3527400 -33.6596 -47.595 -43.9493 -47.595 22.2738 12.6768 -43.9492 12.6768 29.2851 GPRESSAVG: 3527400 -33.9831 -46.9765 -45.1763 -47.8205 22.3817 10.0749 -43.9214 14.3572 28.7562 TIMING: 3527400 CPU: 10555.5, 0.00301214/step Wall: 10555.5, 0.00301214/step, 1.23213 hours remaining, 207.484375 MB of memory in use. ENERGY: 3527400 744.1509 2128.1870 1917.0586 110.9462 -206011.6279 17726.0749 0.0000 0.0000 34240.9631 -149144.2472 299.0348 -183385.2103 -149052.2673 298.8109 -47.1370 -10.9097 556612.1414 5.9664 5.7183 PRESSURE: 3527600 125.002 -154.683 47.2514 -154.684 169.994 -32.8198 47.2503 -32.8207 91.9152 GPRESSURE: 3527600 133.978 -180.942 118.794 -181.073 231.173 -16.8368 66.7681 -73.0494 118.303 PRESSAVG: 3527600 -40.7467 -36.8627 -48.1319 -36.8627 21.1971 -33.9483 -48.1319 -33.9482 38.6591 GPRESSAVG: 3527600 -42.117 -35.7422 -46.4992 -38.0537 21.9203 -34.6083 -48.4618 -33.868 39.2612 TIMING: 3527600 CPU: 10556.1, 0.00303935/step Wall: 10556.1, 0.00303935/step, 1.24309 hours remaining, 207.484375 MB of memory in use. ENERGY: 3527600 741.2451 2103.0676 1923.8859 103.5770 -206235.6266 17884.2772 0.0000 0.0000 34275.4760 -149204.0979 299.3363 -183479.5739 -149109.7890 299.2362 128.9704 161.1516 555634.7234 6.3699 6.3549 PRESSURE: 3527800 -50.4859 -4.42069 139.976 -4.4213 -57.5959 130.856 139.976 130.857 215.262 GPRESSURE: 3527800 -21.2778 -123.764 93.5168 69.0055 -43.4121 35.5368 152.26 116.023 277.413 PRESSAVG: 3527800 -69.0054 -51.5338 64.5893 -51.5338 13.7799 2.19239 64.5893 2.19237 47.7114 GPRESSAVG: 3527800 -68.4897 -52.2169 63.2167 -50.3454 13.0382 3.75467 64.3822 -1.11759 47.9013 TIMING: 3527800 CPU: 10556.8, 0.00305936/step Wall: 10556.8, 0.00305936/step, 1.25111 hours remaining, 207.484375 MB of memory in use. ENERGY: 3527800 735.9391 2087.9534 1934.4869 113.4398 -205884.0179 17688.8676 0.0000 0.0000 34293.9263 -149029.4048 299.4974 -183323.3311 -148937.8924 299.8340 35.7268 70.9078 557064.0098 -2.5047 -2.5167 PRESSURE: 3528000 -255.27 125.382 -48.4563 125.383 -105.673 7.60152 -48.4573 7.59831 65.4945 GPRESSURE: 3528000 -224.978 89.3553 -92.6177 144.948 -74.2555 34.8511 -101.691 32.1466 92.9218 PRESSAVG: 3528000 40.4393 8.31559 45.2883 8.31556 -55.5371 -14.3829 45.2884 -14.3829 4.4831 GPRESSAVG: 3528000 41.4073 6.84118 46.0355 8.3081 -54.1801 -15.1229 45.9851 -12.8596 2.54003 TIMING: 3528000 CPU: 10557.4, 0.00303389/step Wall: 10557.4, 0.00303389/step, 1.24052 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: 3528000 721.0425 2125.3793 1945.7715 106.3643 -205992.8718 17740.9464 0.0000 0.0000 34188.8591 -149164.5089 298.5798 -183353.3680 -149069.3847 298.7089 -98.4825 -68.7705 557678.9039 -3.5382 -3.4109 PRESSURE: 3528200 176.367 142.92 296.92 142.92 35.5379 92.0928 296.921 92.0927 444.315 GPRESSURE: 3528200 256.216 93.8708 269.448 176.055 84.0476 28.1644 225.986 89.4258 402.96 PRESSAVG: 3528200 19.6749 5.10342 58.3055 5.10348 -22.9775 -4.22672 58.3054 -4.2266 60.4917 GPRESSAVG: 3528200 19.4767 7.0878 57.3433 3.47678 -24.6932 -2.75012 58.4669 -4.70196 61.8823 TIMING: 3528200 CPU: 10558, 0.00301538/step Wall: 10558, 0.00301538/step, 1.23279 hours remaining, 207.484375 MB of memory in use. ENERGY: 3528200 746.3766 2103.5157 1970.6507 109.6423 -206407.5631 18006.9269 0.0000 0.0000 34319.9578 -149150.4932 299.7247 -183470.4510 -149065.6287 299.2882 218.7399 247.7412 555424.8196 19.0630 18.8886 LDB: ============= START OF LOAD BALANCING ============== 10561.4 LDB: ============== END OF LOAD BALANCING =============== 10561.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10561.4 LDB: ============= START OF LOAD BALANCING ============== 10561.7 LDB: Largest compute 4820 load 0.022865 is 19.4% of average load 0.118093 LDB: Average compute 0.001716 is 1.5% of average load 0.118093 LDB: TIME 10561.7 LOAD: AVG 0.118093 MAX 0.21883 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 10561.7 LOAD: AVG 0.118093 MAX 0.21883 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.695 MB LDB: TIME 10561.7 LOAD: AVG 0.118093 MAX 0.21883 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.695 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10561.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10561.7 PRESSURE: 3528400 -20.7225 -47.9588 75.9128 -47.9589 96.7594 12.4857 75.9131 12.486 -264.723 GPRESSURE: 3528400 14.6107 25.3089 145.253 -34.8782 96.1414 -1.26865 34.2212 -28.4428 -214.741 PRESSAVG: 3528400 22.6402 -10.3438 51.8094 -10.3437 -38.8371 18.0785 51.8094 18.0786 39.7199 GPRESSAVG: 3528400 21.9016 -12.1187 52.8536 -9.14293 -38.0859 17.8723 51.999 19.7198 39.6792 TIMING: 3528400 CPU: 10558.6, 0.00308804/step Wall: 10558.6, 0.00308804/step, 1.26232 hours remaining, 206.574219 MB of memory in use. ENERGY: 3528400 771.9744 2121.9370 1949.6236 116.5169 -205766.7101 17531.8124 0.0000 0.0000 34338.2772 -148936.5685 299.8847 -183274.8457 -148844.0677 299.8253 -62.8952 -34.6629 556764.1168 7.8410 7.8316 PRESSURE: 3528600 -85.7604 2.47245 -8.9764 2.47339 0.209262 -144.905 -8.97558 -144.906 84.8457 GPRESSURE: 3528600 -42.7836 16.1265 3.78511 -22.8588 26.2939 -73.975 -15.8239 -138.612 117.921 PRESSAVG: 3528600 8.11557 -9.93884 71.3641 -9.93883 41.5563 -1.90149 71.3641 -1.90133 3.68507 GPRESSAVG: 3528600 8.35081 -8.4255 67.9754 -9.24741 41.3178 -3.28594 73.2643 -2.60328 3.56788 TIMING: 3528600 CPU: 10559.2, 0.00305277/step Wall: 10559.2, 0.00305277/step, 1.24774 hours remaining, 206.574219 MB of memory in use. ENERGY: 3528600 733.9528 2150.3931 1954.0375 111.8277 -206009.6941 17771.4808 0.0000 0.0000 34482.1774 -148805.8248 301.1414 -183288.0022 -148708.9475 299.6731 -0.2351 33.8106 557589.7959 17.7856 17.7455 PRESSURE: 3528800 70.0681 -2.2915 54.4834 -2.29246 165.575 -139.584 54.4839 -139.584 30.2151 GPRESSURE: 3528800 121.711 40.1147 121.278 -38.9806 215.169 -253.504 -14.3129 -139.501 23.3017 PRESSAVG: 3528800 14.2738 -16.6587 52.3391 -16.6588 34.6877 -54.3453 52.3389 -54.3453 -46.6121 GPRESSAVG: 3528800 14.0528 -17.5745 57.1723 -17.5024 35.0136 -55.077 51.0337 -52.8876 -46.1665 TIMING: 3528800 CPU: 10559.8, 0.00307101/step Wall: 10559.8, 0.00307101/step, 1.25502 hours remaining, 206.574219 MB of memory in use. ENERGY: 3528800 727.5921 2091.5472 1937.8890 126.5203 -205977.6766 17891.9127 0.0000 0.0000 34424.0530 -148778.1622 300.6338 -183202.2152 -148684.5896 299.9947 88.6193 120.0607 559238.7792 0.7831 0.9666 PRESSURE: 3529000 176.008 -21.0376 -149.191 -21.0376 -57.8793 69.9958 -149.191 69.9967 30.4468 GPRESSURE: 3529000 194.365 -36.7706 -111.333 -24.2293 -25.0829 101.784 -91.293 47.4421 70.8863 PRESSAVG: 3529000 -27.5909 26.2942 9.29664 26.2941 33.7451 -8.6412 9.29656 -8.64125 29.8914 GPRESSAVG: 3529000 -27.3014 24.0032 6.07727 29.3157 33.3355 -8.21659 8.31141 -10.6371 29.4459 TIMING: 3529000 CPU: 10560.4, 0.00302466/step Wall: 10560.4, 0.00302466/step, 1.23591 hours remaining, 206.574219 MB of memory in use. ENERGY: 3529000 724.9457 2105.0542 1961.4209 112.7278 -205886.0832 17835.9166 0.0000 0.0000 34494.8901 -148651.1279 301.2525 -183146.0180 -148558.2350 300.1848 49.5252 80.0562 558528.4918 12.0152 11.8267 PRESSURE: 3529200 -88.0887 -46.6226 14.2416 -46.6228 -67.1569 -10.0297 14.2414 -10.029 61.4129 GPRESSURE: 3529200 -24.0163 -27.5669 -35.6504 -8.92396 -62.7814 -23.2054 8.51677 -44.319 84.5276 PRESSAVG: 3529200 -35.575 -65.3903 5.76013 -65.3903 23.8975 4.26823 5.76014 4.26819 -6.97998 GPRESSAVG: 3529200 -35.0007 -64.6762 7.11938 -66.0967 24.0046 3.36638 4.21122 5.18544 -7.73762 TIMING: 3529200 CPU: 10561, 0.00303604/step Wall: 10561, 0.00303604/step, 1.24039 hours remaining, 206.574219 MB of memory in use. ENERGY: 3529200 744.6389 2107.7640 1937.6872 104.4570 -205647.5759 17637.9236 0.0000 0.0000 34570.7417 -148544.3635 301.9149 -183115.1052 -148455.5143 300.9568 -31.2776 -0.7567 558242.4153 -6.2191 -6.2445 PRESSURE: 3529400 -95.7288 -68.8905 -37.4322 -68.8917 -182.544 -117.89 -37.4322 -117.891 -123.549 GPRESSURE: 3529400 -22.0845 -84.182 -32.807 -50.5827 -160.927 -149.502 -69.5706 -112.773 -125.888 PRESSAVG: 3529400 24.1538 -0.696818 -21.9657 -0.696839 -74.433 -26.1946 -21.9657 -26.1946 64.8543 GPRESSAVG: 3529400 23.9724 -1.35913 -22.817 -0.608208 -74.9413 -25.1187 -19.1237 -26.0147 64.9404 TIMING: 3529400 CPU: 10561.6, 0.00307169/step Wall: 10561.6, 0.00307169/step, 1.25479 hours remaining, 206.574219 MB of memory in use. ENERGY: 3529400 736.3969 2102.5623 1962.6658 110.3300 -205544.1982 17558.6484 0.0000 0.0000 34459.1136 -148614.4813 300.9400 -183073.5949 -148509.9599 301.1097 -133.9407 -102.9668 559139.8397 4.8584 4.6572 PRESSURE: 3529600 -117.546 19.3907 -15.3181 19.3904 151.412 -54.2658 -15.3172 -54.2669 124.396 GPRESSURE: 3529600 -48.0864 0.884551 -16.8394 54.1695 178.98 -56.6585 -37.1194 15.613 122.906 PRESSAVG: 3529600 24.0339 -15.0877 -53.5722 -15.0877 -4.05053 11.1098 -53.5722 11.1098 42.4473 GPRESSAVG: 3529600 23.3331 -13.6517 -53.1562 -18.0478 -3.66014 10.5796 -54.0915 11.3674 42.9768 TIMING: 3529600 CPU: 10562.2, 0.00304686/step Wall: 10562.2, 0.00304686/step, 1.24447 hours remaining, 206.574219 MB of memory in use. ENERGY: 3529600 764.3245 2109.4425 1948.6799 110.7831 -205772.2655 17692.7603 0.0000 0.0000 34547.6239 -148598.6513 301.7130 -183146.2752 -148499.6435 301.4535 52.7541 84.5998 555897.4957 20.8103 20.8832 PRESSURE: 3529800 -5.75313 -51.9495 71.9177 -51.9484 -146.391 44.9357 71.9163 44.9342 37.3866 GPRESSURE: 3529800 -2.46424 -34.8859 14.8569 -69.8564 -122.521 -30.0551 109.225 88.0322 91.7243 PRESSAVG: 3529800 -5.09507 48.418 -20.4892 48.4181 -4.30787 -5.23887 -20.4891 -5.23887 -22.2091 GPRESSAVG: 3529800 -5.08499 48.8476 -20.3552 50.1272 -5.24376 -4.92677 -20.4357 -5.69224 -21.1298 TIMING: 3529800 CPU: 10562.8, 0.00303739/step Wall: 10562.8, 0.00303739/step, 1.24044 hours remaining, 206.574219 MB of memory in use. ENERGY: 3529800 777.3378 2086.1412 1923.1063 114.4255 -205823.1999 17639.8891 0.0000 0.0000 34452.3324 -148829.9676 300.8808 -183282.3000 -148726.4752 301.0618 -38.2526 -11.0871 556743.6512 -10.5373 -10.4862 PRESSURE: 3530000 -67.1082 -197.136 70.4117 -197.136 81.0705 -28.3831 70.4119 -28.3854 52.7808 GPRESSURE: 3530000 -18.9812 -210.763 158.833 -87.6689 100.321 -48.5799 29.3882 -59.3736 86.062 PRESSAVG: 3530000 10.0541 -34.4248 -49.0794 -34.4248 -14.4893 -19.6339 -49.0794 -19.6338 16.956 GPRESSAVG: 3530000 9.24494 -34.579 -50.516 -34.5038 -13.3915 -20.4529 -50.114 -18.6896 16.7646 TIMING: 3530000 CPU: 10563.5, 0.00303715/step Wall: 10563.5, 0.00303715/step, 1.24017 hours remaining, 206.574219 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: 3530000 734.7867 2120.7453 1951.0577 115.7676 -205798.9340 17772.7414 0.0000 0.0000 34231.6878 -148872.1474 298.9538 -183103.8352 -148774.0931 300.9673 22.2477 55.8008 558427.3835 4.1736 4.2060 PRESSURE: 3530200 -141.26 65.1547 -100.472 65.1528 -307.482 -31.4745 -100.471 -31.4744 -418.112 GPRESSURE: 3530200 -144.361 6.61856 -111.828 112.15 -291.215 -63.1231 -9.61684 73.9625 -327.85 PRESSAVG: 3530200 9.44882 4.11893 -31.65 4.11886 -19.1466 4.1878 -31.6499 4.18773 -11.7251 GPRESSAVG: 3530200 11.8384 3.20329 -28.9647 5.45961 -20.2598 4.34058 -31.1992 4.72483 -12.7623 TIMING: 3530200 CPU: 10564.1, 0.00304284/step Wall: 10564.1, 0.00304284/step, 1.24232 hours remaining, 206.574219 MB of memory in use. ENERGY: 3530200 739.4109 2117.2856 1942.3728 104.3169 -205690.4394 17401.3689 0.0000 0.0000 34404.5414 -148981.1429 300.4634 -183385.6842 -148881.3675 301.0754 -288.9511 -254.4752 558166.9709 -7.1410 -7.0613 PRESSURE: 3530400 -45.7268 -23.7682 -27.2015 -23.7685 -91.3578 -106.981 -27.2009 -106.981 -46.4448 GPRESSURE: 3530400 -20.6709 -64.8278 -75.5757 -32.9581 -87.0171 -121.934 64.6652 -127.714 13.8183 PRESSAVG: 3530400 18.0357 6.57636 8.06492 6.57653 -1.27479 -21.708 8.06494 -21.7079 -41.5084 GPRESSAVG: 3530400 17.9309 7.33027 5.66975 5.36 -1.16545 -23.1024 9.42659 -21.8276 -41.4671 TIMING: 3530400 CPU: 10564.7, 0.00301508/step Wall: 10564.7, 0.00301508/step, 1.23082 hours remaining, 206.574219 MB of memory in use. ENERGY: 3530400 755.9677 2138.1893 1941.6588 111.0309 -205749.1134 17471.9903 0.0000 0.0000 34493.2913 -148836.9851 301.2385 -183330.2764 -148742.3611 300.0475 -61.1764 -31.2899 557467.9581 -8.2492 -8.2339 PRESSURE: 3530600 181.848 -38.0707 0.662312 -38.0686 94.3561 -53.5826 0.661626 -53.5806 152.194 GPRESSURE: 3530600 249.957 -13.9089 119.077 -24.8325 114.214 -87.9988 -71.9265 -14.1662 152.186 PRESSAVG: 3530600 12.9387 -13.5121 -70.8922 -13.5119 27.6303 -33.4386 -70.8922 -33.4387 -6.4374 GPRESSAVG: 3530600 12.3312 -12.5324 -70.7093 -14.0457 28.277 -33.8141 -69.5552 -32.1974 -6.92139 TIMING: 3530600 CPU: 10565.3, 0.00305066/step Wall: 10565.3, 0.00305066/step, 1.24518 hours remaining, 206.574219 MB of memory in use. ENERGY: 3530600 750.0671 2148.6451 1925.6830 129.6824 -206254.9469 17987.0304 0.0000 0.0000 34358.6308 -148955.2081 300.0625 -183313.8389 -148855.4679 300.3329 142.7994 172.1189 557918.4945 11.3772 11.2289 PRESSURE: 3530800 46.1766 -4.05203 -89.0974 -4.05198 -194.503 49.8428 -89.0978 49.844 21.3313 GPRESSURE: 3530800 47.0717 -48.0153 -197.03 -46.1303 -124.89 75.98 27.3438 12.0951 38.2692 PRESSAVG: 3530800 79.0688 -17.3224 -20.41 -17.3225 -15.4128 -15.9145 -20.4099 -15.9144 11.7824 GPRESSAVG: 3530800 78.8174 -19.7983 -21.2101 -14.5158 -15.8777 -12.2151 -20.3806 -20.0689 12.1611 TIMING: 3530800 CPU: 10565.9, 0.00307842/step Wall: 10565.9, 0.00307842/step, 1.25634 hours remaining, 206.574219 MB of memory in use. ENERGY: 3530800 749.2039 2139.5413 1909.1458 103.8433 -205882.9087 17693.0471 0.0000 0.0000 34478.0173 -148810.1102 301.1051 -183288.1274 -148710.4381 300.3429 -42.3317 -13.1830 558495.6260 25.1461 25.0336 PRESSURE: 3531000 -161.573 90.6275 172.866 90.6266 -218.812 -119.555 172.866 -119.555 -0.791484 GPRESSURE: 3531000 -200.882 12.1237 216.136 44.5299 -156.139 -159.918 147.788 -192.986 73.4112 PRESSAVG: 3531000 -23.8874 24.326 -49.4872 24.326 4.44782 -67.0074 -49.4872 -67.0074 27.381 GPRESSAVG: 3531000 -24.4222 24.8111 -46.3801 23.3995 5.43455 -67.1955 -50.9388 -66.6669 27.547 TIMING: 3531000 CPU: 10566.5, 0.00307232/step Wall: 10566.5, 0.00307232/step, 1.25368 hours remaining, 206.574219 MB of memory in use. ENERGY: 3531000 744.3350 2078.4992 1922.1665 111.9409 -205785.0856 17498.5772 0.0000 0.0000 34755.1941 -148674.3727 303.5258 -183429.5668 -148573.7185 300.8049 -127.0589 -94.5366 558130.4986 2.6471 2.8531 PRESSURE: 3531200 110.526 -26.8727 2.63512 -26.8726 -89.6298 -113.704 2.63604 -113.703 32.1129 GPRESSURE: 3531200 153.723 -96.3586 49.3515 -26.3059 -125.44 -137.527 43.9538 -145.25 103.886 PRESSAVG: 3531200 -69.9942 69.0736 -45.6899 69.0736 68.3107 -0.397854 -45.6898 -0.397831 3.55947 GPRESSAVG: 3531200 -69.5426 69.7229 -47.0701 67.5312 67.0042 -3.23066 -46.1236 1.83275 4.31116 TIMING: 3531200 CPU: 10567.1, 0.00308943/step Wall: 10567.1, 0.00308943/step, 1.26049 hours remaining, 206.574219 MB of memory in use. ENERGY: 3531200 744.5502 2131.5471 1932.1680 116.0649 -205790.3117 17871.1042 0.0000 0.0000 34281.3340 -148713.5434 299.3874 -182994.8774 -148616.1454 300.5509 17.6698 44.0563 557899.1264 0.6253 0.5909 PRESSURE: 3531400 46.8955 236.508 91.0915 236.507 166.634 -78.032 91.0911 -78.0334 426.265 GPRESSURE: 3531400 84.7903 172.299 -15.4681 231.529 203.149 -70.701 35.2993 -112.471 458.83 PRESSAVG: 3531400 -52.5217 -5.64618 -27.7712 -5.64628 15.5276 -16.8853 -27.7713 -16.8852 44.2565 GPRESSAVG: 3531400 -52.1149 -4.81897 -29.4049 -6.05663 17.2059 -15.7238 -27.0842 -19.1273 42.4948 TIMING: 3531400 CPU: 10567.7, 0.00307875/step Wall: 10567.7, 0.00307875/step, 1.25596 hours remaining, 206.574219 MB of memory in use. ENERGY: 3531400 741.7216 2074.7916 1956.9651 114.6614 -205894.4885 17985.3794 0.0000 0.0000 34283.9038 -148737.0655 299.4099 -183020.9693 -148638.8776 300.2886 213.2648 248.9229 557504.3806 2.4208 2.5286 PRESSURE: 3531600 -311.089 101.729 19.0409 101.729 -263.985 -3.36584 19.0405 -3.36648 -194.632 GPRESSURE: 3531600 -272.224 95.4929 -26.0419 113.566 -216.229 56.7927 29.4124 -50.1959 -187.737 PRESSAVG: 3531600 23.0942 -54.9725 -53.7524 -54.9724 1.36407 -19.9998 -53.7524 -19.9998 -25.2155 GPRESSAVG: 3531600 22.8041 -54.5311 -52.0988 -54.9327 0.172281 -19.7571 -55.1241 -19.5429 -23.805 TIMING: 3531600 CPU: 10568.3, 0.00304461/step Wall: 10568.3, 0.00304461/step, 1.24186 hours remaining, 206.773438 MB of memory in use. ENERGY: 3531600 746.9095 2127.4766 1962.9292 120.9959 -205479.7606 17456.1006 0.0000 0.0000 34303.7876 -148761.5613 299.5835 -183065.3489 -148666.2453 300.6120 -256.5687 -225.3967 560273.5741 -0.2524 -0.2762 PRESSURE: 3531800 13.8062 130.753 71.883 130.753 11.4392 141.246 71.8821 141.246 -132.089 GPRESSURE: 3531800 36.6367 67.3423 196.628 130.819 30.1084 70.3747 -17.8175 136.751 -85.4961 PRESSAVG: 3531800 -51.6599 -35.7552 -20.0186 -35.7551 9.01038 13.0592 -20.0185 13.0593 19.585 GPRESSAVG: 3531800 -51.9199 -34.3923 -18.6815 -35.7592 9.64701 13.0018 -20.97 14.2279 19.1012 TIMING: 3531800 CPU: 10569, 0.00303159/step Wall: 10569, 0.00303159/step, 1.23638 hours remaining, 206.773438 MB of memory in use. ENERGY: 3531800 735.9211 2061.7610 1954.2248 120.3515 -206243.5638 17831.7520 0.0000 0.0000 34727.6790 -148811.8745 303.2855 -183539.5535 -148705.4910 301.1531 -35.6145 -6.2503 557742.5250 -7.6882 -7.7239 PRESSURE: 3532000 -109.069 -39.9205 -163.675 -39.9205 84.7008 -12.3342 -163.676 -12.3334 -17.6924 GPRESSURE: 3532000 -111.044 -55.6214 -165.606 -56.6796 170.98 -0.698561 -204.564 -12.5808 -11.8403 PRESSAVG: 3532000 -92.2717 26.0892 35.8766 26.0892 44.245 -4.57998 35.8767 -4.58008 46.7176 GPRESSAVG: 3532000 -92.1196 25.2438 35.2495 26.5708 43.1343 -3.75983 38.0048 -2.99859 47.1925 TIMING: 3532000 CPU: 10569.6, 0.00307391/step Wall: 10569.6, 0.00307391/step, 1.25347 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: 3532000 734.5197 2099.4021 1950.3948 105.5947 -205704.0911 17606.7198 0.0000 0.0000 34448.8549 -148758.6051 300.8504 -183207.4600 -148661.2823 301.4022 -14.0201 16.0317 557123.5579 -0.4364 -0.5976 PRESSURE: 3532200 -12.1331 -87.8001 92.7542 -87.7988 133.702 70.0264 92.7553 70.0258 -152.925 GPRESSURE: 3532200 9.85214 -26.0244 157.404 -88.5036 179.841 30.8491 154.452 65.0849 -126.527 PRESSAVG: 3532200 31.1405 -41.9727 -43.087 -41.9726 31.4122 -21.9119 -43.0869 -21.9119 -34.8182 GPRESSAVG: 3532200 30.3558 -41.7007 -43.846 -42.3304 33.3074 -24.8857 -43.7625 -23.0823 -35.255 TIMING: 3532200 CPU: 10570.2, 0.00306743/step Wall: 10570.2, 0.00306743/step, 1.25066 hours remaining, 206.773438 MB of memory in use. ENERGY: 3532200 706.4269 2104.8771 1956.2547 105.7969 -205810.5488 17600.1636 0.0000 0.0000 34499.1546 -148837.8750 301.2897 -183337.0296 -148743.8040 300.3471 -10.4520 21.0553 556193.6322 9.2448 9.4694 LDB: ============= START OF LOAD BALANCING ============== 10573.6 LDB: ============== END OF LOAD BALANCING =============== 10573.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10573.6 LDB: ============= START OF LOAD BALANCING ============== 10573.9 LDB: Largest compute 4820 load 0.025750 is 21.8% of average load 0.118088 LDB: Average compute 0.001719 is 1.5% of average load 0.118088 LDB: TIME 10573.9 LOAD: AVG 0.118088 MAX 0.219022 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.832 MB LDB: TIME 10573.9 LOAD: AVG 0.118088 MAX 0.219022 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: TIME 10573.9 LOAD: AVG 0.118088 MAX 0.219022 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10573.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10573.9 PRESSURE: 3532400 -57.0742 -114.567 -100.384 -114.568 51.9206 39.7515 -100.384 39.7526 -309.719 GPRESSURE: 3532400 25.0011 -118.475 -45.2329 -76.9868 30.364 24.611 -103.607 33.4622 -276.9 PRESSAVG: 3532400 -5.591 -49.4297 -14.4066 -49.4297 39.1977 -48.8853 -14.4067 -48.8853 -7.54572 GPRESSAVG: 3532400 -4.84576 -49.6393 -14.7397 -49.0386 38.2774 -47.1041 -14.4603 -50.5031 -7.14432 TIMING: 3532400 CPU: 10570.8, 0.00308638/step Wall: 10570.8, 0.00308638/step, 1.25821 hours remaining, 207.078125 MB of memory in use. ENERGY: 3532400 745.6804 2144.9835 1948.6397 102.9952 -205715.4695 17627.5326 0.0000 0.0000 34285.0912 -148860.5469 299.4202 -183145.6381 -148758.4708 300.4281 -104.9574 -73.8451 558311.1828 8.6870 8.7624 PRESSURE: 3532600 -199.213 21.5015 -18.6066 21.5017 -33.1388 126.487 -18.6076 126.486 4.92405 GPRESSURE: 3532600 -137.949 4.70833 -9.47738 -79.5738 -17.3025 32.7289 -51.4808 156.955 18.996 PRESSAVG: 3532600 -33.1207 -6.07219 -4.21218 -6.07227 32.8238 -32.4889 -4.21217 -32.4888 8.50358 GPRESSAVG: 3532600 -32.0678 -5.20487 -2.82596 -5.8373 32.6288 -30.9225 -6.46376 -32.2578 7.14895 TIMING: 3532600 CPU: 10571.4, 0.00305491/step Wall: 10571.4, 0.00305491/step, 1.24522 hours remaining, 207.078125 MB of memory in use. ENERGY: 3532600 750.8814 2110.2577 1942.6467 101.4856 -205862.8274 17804.4863 0.0000 0.0000 34295.6997 -148857.3699 299.5129 -183153.0697 -148761.6703 300.1542 -75.8093 -45.4185 558493.7918 2.7356 2.5700 PRESSURE: 3532800 80.4852 -142.088 -26.525 -142.088 -75.032 -83.4089 -26.5253 -83.41 -128.941 GPRESSURE: 3532800 94.076 -142.628 -125.224 -58.3417 -112.771 -150.273 -29.3279 -63.9727 -3.80968 PRESSAVG: 3532800 -23.8229 -9.54255 -30.1965 -9.5425 -0.0347964 -43.663 -30.1965 -43.6629 22.37 GPRESSAVG: 3532800 -24.0139 -9.92709 -31.1914 -8.17144 -0.996183 -45.5652 -28.9721 -43.7279 23.8478 TIMING: 3532800 CPU: 10572, 0.00303828/step Wall: 10572, 0.00303828/step, 1.23827 hours remaining, 207.078125 MB of memory in use. ENERGY: 3532800 755.2181 2153.7375 1930.1341 110.0665 -205871.9742 17545.1766 0.0000 0.0000 34339.5851 -149038.0563 299.8961 -183377.6413 -148936.1638 299.7695 -41.1625 -7.5015 556697.1186 -0.4959 -0.3874 PRESSURE: 3533000 -52.375 87.88 -28.1338 87.8813 83.1897 146.016 -28.1333 146.015 -160.745 GPRESSURE: 3533000 -27.0599 108.559 -44.6228 106.922 159.235 162.55 -81.9119 165.229 -159.764 PRESSAVG: 3533000 11.133 -6.22134 -62.976 -6.22127 51.6553 19.7769 -62.976 19.7769 6.40861 GPRESSAVG: 3533000 11.1701 -6.89408 -62.2008 -7.91251 52.6616 19.453 -63.5747 21.2673 5.54407 TIMING: 3533000 CPU: 10572.6, 0.00303828/step Wall: 10572.6, 0.00303828/step, 1.2381 hours remaining, 207.078125 MB of memory in use. ENERGY: 3533000 747.5721 2059.7853 1954.2547 111.3236 -205917.0104 17654.2344 0.0000 0.0000 34349.8197 -149040.0206 299.9855 -183389.8403 -148946.6798 300.2467 -43.3101 -9.1964 557344.8038 23.0657 23.1253 PRESSURE: 3533200 126.104 -111.895 2.98608 -111.895 -17.582 -69.8017 2.98708 -69.8033 25.6084 GPRESSURE: 3533200 148.274 -120.533 -0.319544 -104.936 15.4946 -140.846 4.52365 -5.92996 66.0815 PRESSAVG: 3533200 -18.4381 55.3827 -1.01882 55.3827 22.2932 45.5879 -1.01878 45.5879 -31.7397 GPRESSAVG: 3533200 -18.4914 55.9793 -2.96332 55.3409 21.7414 45.4443 -0.879873 44.8495 -31.798 TIMING: 3533200 CPU: 10573.2, 0.00303639/step Wall: 10573.2, 0.00303639/step, 1.23716 hours remaining, 207.078125 MB of memory in use. ENERGY: 3533200 747.5949 2099.6179 1955.1568 114.1472 -206006.6754 17704.6998 0.0000 0.0000 34473.4154 -148912.0434 301.0649 -183385.4588 -148810.2807 300.1246 44.7101 76.6166 558191.2665 -9.2948 -9.5160 PRESSURE: 3533400 -116.087 129.3 94.3894 129.299 -150.434 59.2531 94.3889 59.2538 92.5766 GPRESSURE: 3533400 -59.0341 128.262 106.499 69.5393 -100.046 51.4271 22.5131 29.6497 79.5467 PRESSAVG: 3533400 -17.4932 -9.34001 -50.9531 -9.33998 10.6505 30.8056 -50.953 30.8055 -12.7752 GPRESSAVG: 3533400 -18.1365 -10.5328 -47.894 -8.32984 10.6786 31.4901 -50.1025 30.2989 -12.6462 TIMING: 3533400 CPU: 10573.8, 0.00305795/step Wall: 10573.8, 0.00305795/step, 1.24577 hours remaining, 207.078125 MB of memory in use. ENERGY: 3533400 769.6623 2047.4641 1950.4372 103.3551 -205803.6291 17527.0928 0.0000 0.0000 34271.8693 -149133.7483 299.3048 -183405.6176 -149035.3797 299.5995 -57.9814 -26.5112 556783.2727 -6.5393 -6.7014 PRESSURE: 3533600 171.028 -6.0842 103.374 -6.08471 -119.769 -26.0922 103.374 -26.092 190.781 GPRESSURE: 3533600 155.164 -125.603 74.6375 11.026 -98.2348 20.3617 79.3808 -8.55815 282.502 PRESSAVG: 3533600 -75.6267 -33.0107 60.1291 -33.0107 -16.1811 -4.9713 60.1291 -4.97121 66.3305 GPRESSAVG: 3533600 -75.7858 -34.8174 57.6355 -33.0702 -15.0327 -3.70403 60.2104 -4.21982 66.1165 TIMING: 3533600 CPU: 10574.5, 0.00304523/step Wall: 10574.5, 0.00304523/step, 1.24042 hours remaining, 207.078125 MB of memory in use. ENERGY: 3533600 746.5489 2060.4559 1953.3650 113.0504 -206323.6137 18077.3088 0.0000 0.0000 34131.7842 -149241.1004 298.0814 -183372.8847 -149145.9464 299.2820 80.6801 113.1440 557583.8735 -8.4924 -8.2340 PRESSURE: 3533800 17.2672 154.096 -82.186 154.098 73.005 16.3295 -82.1865 16.3297 41.99 GPRESSURE: 3533800 64.7016 126.321 -72.0481 169.364 60.4147 59.8183 -62.1121 -25.8338 109.506 PRESSAVG: 3533800 -42.5265 14.9211 -6.02426 14.9211 -5.28414 -1.42377 -6.02425 -1.4238 69.9903 GPRESSAVG: 3533800 -41.7664 17.5648 -3.90252 12.1439 -4.96564 -4.63521 -6.88335 -1.24829 70.0267 TIMING: 3533800 CPU: 10575.1, 0.00299821/step Wall: 10575.1, 0.00299821/step, 1.22111 hours remaining, 207.078125 MB of memory in use. ENERGY: 3533800 757.2491 2074.9698 1940.5759 114.2460 -206412.1487 17947.3964 0.0000 0.0000 34178.9046 -149398.8069 298.4929 -183577.7114 -149301.4564 298.7801 44.0874 78.2073 557386.3148 7.3932 7.7649 PRESSURE: 3534000 100.66 15.8867 142.593 15.8866 -50.1548 -66.915 142.592 -66.9155 -189.924 GPRESSURE: 3534000 131.481 -82.7625 151.388 31.0248 -60.3197 -91.1208 206.502 0.242159 -115.817 PRESSAVG: 3534000 18.5073 52.4242 -15.3457 52.4242 -23.1729 -19.3055 -15.3458 -19.3055 4.33376 GPRESSAVG: 3534000 18.6181 53.1017 -18.4944 52.99 -24.6828 -18.2506 -12.2713 -19.9943 4.55749 TIMING: 3534000 CPU: 10575.7, 0.00301281/step Wall: 10575.7, 0.00301281/step, 1.22688 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: 3534000 728.9590 2075.5943 1943.8787 121.6738 -206475.7355 17737.7780 0.0000 0.0000 34473.5005 -149394.3512 301.0657 -183867.8518 -149296.4597 298.9405 -46.4732 -14.8853 557099.4894 -0.1106 -0.5024 PRESSURE: 3534200 -125.317 -19.3284 90.9085 -19.328 -29.6992 6.60193 90.9082 6.60183 -45.1686 GPRESSURE: 3534200 -95.1801 -2.27994 -5.84237 -26.2672 20.2678 7.39147 161.047 26.4366 -42.4786 PRESSAVG: 3534200 32.0709 -26.2971 7.03669 -26.297 -50.9774 -67.1189 7.0367 -67.1189 58.6892 GPRESSAVG: 3534200 32.0481 -25.9598 9.18762 -25.1052 -51.4095 -64.3844 5.59401 -66.9975 59.175 TIMING: 3534200 CPU: 10576.3, 0.00304596/step Wall: 10576.3, 0.00304596/step, 1.24021 hours remaining, 207.375000 MB of memory in use. ENERGY: 3534200 784.6807 2073.6879 1935.6374 112.5032 -206320.7134 17856.8334 0.0000 0.0000 34294.4150 -149262.9557 299.5017 -183557.3708 -149167.0641 299.5304 -66.7284 -39.1303 558698.0784 13.2609 13.2712 PRESSURE: 3534400 49.6001 159.199 32.6739 159.198 45.8856 125.627 32.675 125.626 -94.9354 GPRESSURE: 3534400 27.2671 235.025 113.071 97.1218 113.623 40.7604 -7.43974 133.789 -46.0215 PRESSAVG: 3534400 -4.5372 -28.6541 40.3189 -28.654 20.317 7.254 40.3188 7.2541 -53.5921 GPRESSAVG: 3534400 -4.99699 -29.4086 38.862 -29.0013 21.9138 3.81739 40.1299 7.30492 -54.5897 TIMING: 3534400 CPU: 10576.9, 0.00306524/step Wall: 10576.9, 0.00306524/step, 1.24789 hours remaining, 207.375000 MB of memory in use. ENERGY: 3534400 753.5783 2133.8996 1927.9666 108.4420 -206289.4302 17994.6697 0.0000 0.0000 34269.8968 -149100.9773 299.2875 -183370.8741 -149007.8852 299.5356 0.1834 31.6227 558571.6267 -12.6041 -12.5576 PRESSURE: 3534600 -131.081 -124.006 88.0134 -124.005 -117.409 -125.156 88.0131 -125.154 -257.14 GPRESSURE: 3534600 -126.676 -75.864 68.7941 -78.2089 -58.2946 -85.5093 83.8587 -126.364 -234.054 PRESSAVG: 3534600 -23.6068 3.82581 7.19872 3.82587 15.8058 17.4571 7.1988 17.4571 -19.8839 GPRESSAVG: 3534600 -22.6723 3.32884 7.80924 3.20328 16.6163 18.3035 6.54116 17.6351 -21.2791 TIMING: 3534600 CPU: 10577.5, 0.00305309/step Wall: 10577.5, 0.00305309/step, 1.24278 hours remaining, 207.375000 MB of memory in use. ENERGY: 3534600 726.5242 2097.8409 1933.0137 117.3001 -205935.3320 17600.3449 0.0000 0.0000 34334.3842 -149125.9240 299.8507 -183460.3083 -149029.8472 299.5997 -168.5431 -139.6748 559215.9077 -9.2283 -9.1117 PRESSURE: 3534800 41.4229 -95.594 -223.983 -95.5939 -180.543 56.8467 -223.983 56.847 -321.645 GPRESSURE: 3534800 54.0593 -65.3414 -196.791 -131.866 -159.304 115.718 -196.55 110.886 -264.726 PRESSAVG: 3534800 -14.1089 -27.4383 7.32413 -27.4383 -23.1043 -22.2242 7.32412 -22.2242 23.0576 GPRESSAVG: 3534800 -13.7211 -26.5011 5.70201 -27.7477 -24.9681 -21.1092 8.53075 -24.0518 24.7133 TIMING: 3534800 CPU: 10578.1, 0.00304648/step Wall: 10578.1, 0.00304648/step, 1.23992 hours remaining, 207.375000 MB of memory in use. ENERGY: 3534800 760.5851 2119.3326 1913.2929 104.2986 -205965.7099 17661.1785 0.0000 0.0000 34195.1314 -149211.8909 298.6346 -183407.0223 -149114.8979 299.4899 -153.5884 -123.3236 559106.6880 -4.7185 -4.6586 PRESSURE: 3535000 40.3697 -59.3239 179.455 -59.3249 -170.897 -99.5561 179.456 -99.5554 -360.28 GPRESSURE: 3535000 30.1088 6.76532 209.907 -85.9413 -190.484 -39.6971 160.719 -53.5049 -250.616 PRESSAVG: 3535000 5.81386 -23.2391 -26.8671 -23.239 -7.78972 22.9565 -26.8672 22.9566 -5.73671 GPRESSAVG: 3535000 5.11028 -23.4651 -25.1307 -22.8953 -7.13782 22.4148 -28.6091 24.7661 -5.82892 TIMING: 3535000 CPU: 10578.7, 0.00304926/step Wall: 10578.7, 0.00304926/step, 1.24088 hours remaining, 207.375000 MB of memory in use. ENERGY: 3535000 750.1267 2007.6949 1920.6572 101.1146 -205617.9980 17524.8253 0.0000 0.0000 34269.2563 -149044.3229 299.2819 -183313.5792 -148952.0816 299.4357 -163.6024 -136.9969 559521.5037 -2.5709 -2.6188 PRESSURE: 3535200 -78.4908 -5.15061 -32.4475 -5.15016 278.876 -94.0374 -32.4462 -94.0386 -251.141 GPRESSURE: 3535200 23.4235 -40.392 0.0295226 -40.8177 268.888 -69.004 -65.1479 -207.965 -245.299 PRESSAVG: 3535200 -10.0857 -24.2194 -27.6852 -24.2195 -19.8494 -12.0584 -27.6852 -12.0583 28.7721 GPRESSAVG: 3535200 -8.8918 -25.8193 -28.3215 -25.1805 -19.6718 -11.7367 -27.9427 -12.4308 28.0953 TIMING: 3535200 CPU: 10579.3, 0.00303598/step Wall: 10579.3, 0.00303598/step, 1.23531 hours remaining, 207.375000 MB of memory in use. ENERGY: 3535200 734.3470 2055.3811 1937.0888 109.1177 -205950.6102 17640.1261 0.0000 0.0000 34273.2788 -149201.2707 299.3171 -183474.5495 -149109.5154 299.7349 -16.9187 15.6710 556829.0664 -0.3877 -0.1561 PRESSURE: 3535400 177.068 24.8426 54.8284 24.8426 231.5 37.9626 54.8292 37.9631 -103.089 GPRESSURE: 3535400 186.123 59.7742 -12.2315 87.1192 227.312 79.6851 90.7713 48.8444 -14.8208 PRESSAVG: 3535400 21.1641 14.3728 30.9317 14.3728 -7.34979 11.8007 30.9316 11.8006 -14.3519 GPRESSAVG: 3535400 19.0043 16.117 30.9506 14.0886 -7.33168 11.857 33.077 12.0194 -12.0644 TIMING: 3535400 CPU: 10579.9, 0.00302281/step Wall: 10579.9, 0.00302281/step, 1.22978 hours remaining, 207.375000 MB of memory in use. ENERGY: 3535400 755.4089 2078.5681 1929.5780 125.1752 -206354.7984 18103.9640 0.0000 0.0000 34070.0426 -149292.0615 297.5422 -183362.1041 -149194.0255 299.5036 101.8262 132.8713 558479.8234 -0.1792 -0.1306 PRESSURE: 3535600 -80.1254 29.6925 -27.2882 29.6923 -430.672 -80.943 -27.287 -80.9438 -168.711 GPRESSURE: 3535600 -97.2985 -18.0166 16.3902 55.3442 -385.168 -28.9421 -79.0961 -128.083 -114.417 PRESSAVG: 3535600 33.0292 45.9943 -14.1505 45.9943 -6.78246 -67.0097 -14.1505 -67.0097 -76.8907 GPRESSAVG: 3535600 35.0197 44.0124 -12.9221 46.7889 -6.9571 -66.2284 -16.1155 -68.2691 -78.6902 TIMING: 3535600 CPU: 10580.5, 0.00303377/step Wall: 10580.5, 0.00303377/step, 1.23407 hours remaining, 207.375000 MB of memory in use. ENERGY: 3535600 775.9055 2109.4408 1961.0727 118.5612 -206120.8906 17681.9879 0.0000 0.0000 34110.5299 -149363.3924 297.8957 -183473.9224 -149265.7860 299.6231 -226.5028 -198.9611 558234.4121 -16.8813 -16.8759 PRESSURE: 3535800 56.1665 88.5699 -260.386 88.5683 -14.1722 -89.6887 -260.386 -89.6872 -324.788 GPRESSURE: 3535800 153.585 49.5682 -196.264 45.5662 0.66711 -127.059 -287.899 -56.041 -331.058 PRESSAVG: 3535800 -80.2686 -3.29256 -4.90115 -3.29255 67.5536 -62.1757 -4.90116 -62.1757 49.013 GPRESSAVG: 3535800 -80.5644 -3.57016 -6.74842 -1.02802 67.1322 -63.9375 -2.59441 -61.3286 49.6864 TIMING: 3535800 CPU: 10581.1, 0.00304012/step Wall: 10581.1, 0.00304012/step, 1.23648 hours remaining, 207.375000 MB of memory in use. ENERGY: 3535800 731.7162 2050.9435 1939.0224 120.1400 -205893.8867 17649.2997 0.0000 0.0000 34232.8773 -149169.8875 298.9642 -183402.7649 -149075.7381 298.8713 -94.2646 -58.9355 558436.7549 12.0993 12.0848 PRESSURE: 3536000 115.819 13.3939 66.2457 13.3961 161.283 45.4981 66.244 45.4979 -22.704 GPRESSURE: 3536000 130.653 -52.2544 245.377 68.2528 258.024 -8.49494 -32.3055 13.4682 -40.4712 PRESSAVG: 3536000 48.5327 -19.4299 -43.7488 -19.43 -27.1796 1.52838 -43.7489 1.52845 -25.8744 GPRESSAVG: 3536000 47.7593 -19.7725 -40.4691 -19.4515 -26.4197 4.45375 -46.4157 1.53433 -26.8679 TIMING: 3536000 CPU: 10581.7, 0.0030429/step Wall: 10581.7, 0.0030429/step, 1.23745 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: 3536000 761.3708 2096.7416 1927.7316 101.6183 -206309.7390 17941.6549 0.0000 0.0000 34274.4578 -149206.1639 299.3274 -183480.6218 -149109.3241 298.9839 84.7994 116.0685 558164.6836 -1.5071 -1.8428 PRESSURE: 3536200 44.9613 -56.8054 -21.776 -56.8046 151.754 -35.6435 -21.7757 -35.6416 3.03046 GPRESSURE: 3536200 69.0867 -59.9378 -66.4617 -15.0435 178.446 -123.942 28.675 65.107 42.8717 PRESSAVG: 3536200 85.3232 1.51174 8.43817 1.5117 -45.6672 -24.5245 8.43828 -24.5245 -49.2006 GPRESSAVG: 3536200 85.4604 3.48109 8.79019 0.207235 -46.0597 -27.7873 10.229 -23.0677 -48.753 TIMING: 3536200 CPU: 10582.4, 0.00303346/step Wall: 10582.4, 0.00303346/step, 1.23344 hours remaining, 207.375000 MB of memory in use. ENERGY: 3536200 710.7118 2070.2852 1955.3812 113.8252 -206196.8533 17899.1927 0.0000 0.0000 34372.0641 -149075.3930 300.1798 -183447.4571 -148971.7635 299.0163 66.5819 96.8013 558008.7337 -3.1815 -3.1174 LDB: ============= START OF LOAD BALANCING ============== 10585.8 LDB: ============== END OF LOAD BALANCING =============== 10585.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10585.8 LDB: ============= START OF LOAD BALANCING ============== 10586.1 LDB: Largest compute 4820 load 0.025536 is 21.6% of average load 0.118106 LDB: Average compute 0.001719 is 1.5% of average load 0.118106 LDB: TIME 10586.1 LOAD: AVG 0.118106 MAX 0.218669 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.422 MB LDB: TIME 10586.1 LOAD: AVG 0.118106 MAX 0.218669 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.422 MB LDB: TIME 10586.1 LOAD: AVG 0.118106 MAX 0.218669 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.422 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10586.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10586.1 PRESSURE: 3536400 -107.71 -86.6574 -66.6639 -86.6568 -102.293 14.5717 -66.6628 14.5725 -40.6193 GPRESSURE: 3536400 -57.2568 -100.752 -116.197 -7.45734 -55.7963 31.3634 -186.386 33.8957 -37.1883 PRESSAVG: 3536400 77.8231 -12.9733 27.2476 -12.9733 -21.6722 3.68835 27.2476 3.68841 -5.40438 GPRESSAVG: 3536400 78.0325 -14.6063 24.5958 -12.5513 -21.8828 3.19763 27.0971 3.56809 -5.44519 TIMING: 3536400 CPU: 10583, 0.00308206/step Wall: 10583, 0.00308206/step, 1.25303 hours remaining, 206.714844 MB of memory in use. ENERGY: 3536400 739.8342 2070.8245 1945.1655 107.8562 -206026.6984 17654.8671 0.0000 0.0000 34540.8167 -148967.3343 301.6535 -183508.1510 -148867.9918 299.4773 -83.5407 -50.0805 558249.5568 16.9155 16.9015 PRESSURE: 3536600 -2.26356 -101.939 -30.2594 -101.939 -65.1448 -40.6875 -30.2584 -40.6862 -19.7369 GPRESSURE: 3536600 -1.88948 -90.7882 119.043 -38.5001 -49.4036 -56.5996 -30.8636 34.5074 62.4037 PRESSAVG: 3536600 51.5176 10.6985 30.23 10.6985 1.28808 -29.8407 30.2301 -29.8407 -33.5802 GPRESSAVG: 3536600 51.3342 10.3371 28.8067 10.8897 0.73819 -27.1057 29.2305 -32.5959 -32.7738 TIMING: 3536600 CPU: 10583.6, 0.00302742/step Wall: 10583.6, 0.00302742/step, 1.23065 hours remaining, 206.714844 MB of memory in use. ENERGY: 3536600 751.8630 2117.6098 1939.2604 110.2212 -206016.5020 17701.4113 0.0000 0.0000 34370.1286 -149026.0076 300.1629 -183396.1362 -148927.7334 300.2687 -29.0484 3.7036 558513.2345 6.4085 6.4329 PRESSURE: 3536800 -158.653 33.545 -123.423 33.5447 -121.44 -9.05161 -123.424 -9.05121 -315.328 GPRESSURE: 3536800 -123.725 47.131 -225.981 23.7196 -103.838 8.12537 -109.167 6.01434 -270.326 PRESSAVG: 3536800 29.2656 12.0677 -47.564 12.0676 -14.5002 56.5984 -47.564 56.5984 -45.1195 GPRESSAVG: 3536800 28.965 13.7716 -46.0276 10.4683 -13.4349 53.5392 -46.1516 59.5726 -46.2038 TIMING: 3536800 CPU: 10584.2, 0.00304851/step Wall: 10584.2, 0.00304851/step, 1.23905 hours remaining, 206.714844 MB of memory in use. ENERGY: 3536800 744.0523 2103.2402 1976.8671 111.1138 -205808.5097 17592.0119 0.0000 0.0000 34124.5390 -149156.6854 298.0181 -183281.2244 -149065.7619 300.0636 -198.4738 -165.9633 559141.3880 -10.1180 -10.2246 PRESSURE: 3537000 -54.018 -22.8063 -102.477 -22.8052 -62.641 -68.5075 -102.476 -68.5073 -13.2032 GPRESSURE: 3537000 14.9245 -2.03742 -109.823 -173.277 -22.6908 -39.4287 -138.226 -49.5268 -38.8432 PRESSAVG: 3537000 9.34543 -15.1919 20.8374 -15.192 34.5357 -35.4879 20.8374 -35.4878 -24.3208 GPRESSAVG: 3537000 10.2371 -15.8619 21.6797 -14.8521 33.6316 -32.137 19.4825 -37.4321 -24.0263 TIMING: 3537000 CPU: 10584.8, 0.00301248/step Wall: 10584.8, 0.00301248/step, 1.22424 hours remaining, 206.714844 MB of memory in use. ENERGY: 3537000 736.7370 2129.1010 1940.9802 112.5689 -206053.1234 17863.3949 0.0000 0.0000 34509.7703 -148760.5711 301.3824 -183270.3414 -148663.0013 300.6384 -43.2874 -15.5365 557642.5066 6.5201 6.6141 PRESSURE: 3537200 189.22 -50.9023 29.8381 -50.9019 238.297 -208.01 29.8392 -208.01 -31.4504 GPRESSURE: 3537200 174.769 -29.3152 137.814 -68.5925 242.143 -306.338 -27.3464 -269.542 63.9965 PRESSAVG: 3537200 -6.17098 35.1284 -36.0811 35.1284 39.2771 -13.51 -36.0812 -13.5099 23.5783 GPRESSAVG: 3537200 -6.44288 34.7537 -39.699 35.9511 39.8768 -13.7641 -33.5198 -13.9668 23.0384 TIMING: 3537200 CPU: 10585.4, 0.00302832/step Wall: 10585.4, 0.00302832/step, 1.23051 hours remaining, 206.714844 MB of memory in use. ENERGY: 3537200 735.9957 2110.3556 1939.6187 118.6205 -205826.3916 17788.3281 0.0000 0.0000 34371.7056 -148761.7674 300.1767 -183133.4730 -148664.5044 300.7967 132.0221 160.3028 557282.8587 18.8948 18.8241 PRESSURE: 3537400 -230.628 91.1695 186.349 91.1694 -211.594 90.0462 186.349 90.0471 -9.69432 GPRESSURE: 3537400 -201.082 71.376 178.904 206.41 -181.791 111.011 211.294 5.01838 18.3719 PRESSAVG: 3537400 -21.3198 57.9908 -0.968138 57.9908 -36.8415 -51.9463 -0.968197 -51.9462 59.4902 GPRESSAVG: 3537400 -21.0993 58.72 -0.00805014 60.1006 -37.5847 -55.6582 -1.617 -47.9327 59.5294 TIMING: 3537400 CPU: 10586, 0.00305827/step Wall: 10586, 0.00305827/step, 1.24251 hours remaining, 206.714844 MB of memory in use. ENERGY: 3537400 757.6727 2111.3725 1960.1594 110.9637 -206023.1973 17661.3704 0.0000 0.0000 34528.3574 -148893.3013 301.5447 -183421.6587 -148793.5989 300.9386 -150.6388 -121.5002 558022.9610 0.4430 0.2818 PRESSURE: 3537600 29.7096 15.2208 -23.2505 15.2214 11.9695 23.4025 -23.2505 23.4021 188.08 GPRESSURE: 3537600 83.1081 13.8303 -23.4601 -47.1782 64.2493 29.3269 -84.8417 81.027 172.101 PRESSAVG: 3537600 -13.5215 -12.9926 29.9269 -12.9927 -42.2826 -25.9231 29.9268 -25.923 43.8651 GPRESSAVG: 3537600 -13.5429 -13.3803 32.2417 -13.7916 -41.8855 -23.9098 29.1746 -28.8295 43.1652 TIMING: 3537600 CPU: 10586.6, 0.00305143/step Wall: 10586.6, 0.00305143/step, 1.23956 hours remaining, 206.714844 MB of memory in use. ENERGY: 3537600 731.8009 2094.4636 1931.0414 107.9045 -206205.1807 17908.2983 0.0000 0.0000 34377.1972 -149054.4747 300.2246 -183431.6719 -148961.9400 299.8340 76.5862 106.4860 557721.4743 -3.9797 -4.0877 PRESSURE: 3537800 84.0832 -6.32301 100.319 -6.324 136.619 -30.7673 100.317 -30.7692 157.95 GPRESSURE: 3537800 125.504 -15.6127 12.7542 82.801 139.77 -21.8801 245.865 -57.0161 193.321 PRESSAVG: 3537800 8.97046 33.9266 15.8932 33.9266 12.1397 32.0123 15.8933 32.0124 -3.0019 GPRESSAVG: 3537800 8.10253 35.7663 16.3338 32.6817 11.2937 31.6771 15.1947 32.5855 -1.33649 TIMING: 3537800 CPU: 10587.2, 0.00307247/step Wall: 10587.2, 0.00307247/step, 1.24794 hours remaining, 206.714844 MB of memory in use. ENERGY: 3537800 723.3135 2141.0727 1926.8953 121.6095 -206255.5292 17991.5738 0.0000 0.0000 34486.7570 -148864.3074 301.1814 -183351.0644 -148761.4838 299.7722 126.2173 152.8649 557775.6711 6.0361 6.0199 PRESSURE: 3538000 -112.068 -59.703 -77.8442 -59.7028 8.81987 -28.716 -77.8444 -28.7175 -1.48524 GPRESSURE: 3538000 -60.5152 -4.24804 -99.823 -26.668 36.2121 -34.3219 -114.041 -66.495 22.3466 PRESSAVG: 3538000 -38.0905 21.9766 -13.4888 21.9766 73.7439 -47.564 -13.4889 -47.5641 -40.9104 GPRESSAVG: 3538000 -37.9955 20.5063 -15.3138 22.7928 73.7315 -48.7456 -13.5613 -46.6035 -41.0819 TIMING: 3538000 CPU: 10587.8, 0.00305089/step Wall: 10587.8, 0.00305089/step, 1.239 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: 3538000 758.2488 2142.7574 1943.2463 116.6147 -205978.9987 17915.9229 0.0000 0.0000 34217.3159 -148884.8929 298.8283 -183102.2087 -148790.2821 299.3851 -34.9111 -0.6522 559982.0891 -1.7523 -1.7820 PRESSURE: 3538200 -63.0845 11.0974 -77.8604 11.0989 -199.647 -236.576 -77.8599 -236.574 -105.91 GPRESSURE: 3538200 -36.3888 -18.7541 -78.5996 -16.5466 -132.167 -210.131 -164.655 -138.871 -94.152 PRESSAVG: 3538200 -26.2225 -44.5847 -51.6028 -44.5848 58.4576 -27.2526 -51.6028 -27.2526 14.6852 GPRESSAVG: 3538200 -25.3985 -44.2023 -50.2493 -43.7817 57.835 -28.4291 -50.9006 -26.8387 14.2111 TIMING: 3538200 CPU: 10588.4, 0.0030424/step Wall: 10588.4, 0.0030424/step, 1.23538 hours remaining, 206.714844 MB of memory in use. ENERGY: 3538200 707.8114 2096.4250 1967.8421 108.4822 -205738.3687 17478.0239 0.0000 0.0000 34606.2581 -148773.5261 302.2251 -183379.7842 -148672.9582 300.6127 -122.8806 -87.5692 558178.5349 15.6401 15.5492 PRESSURE: 3538400 17.595 87.053 133.612 87.0509 209.265 10.964 133.614 10.9645 138.616 GPRESSURE: 3538400 55.4464 58.8516 -9.97334 97.6936 210.612 -23.6761 172.735 3.34456 188.374 PRESSAVG: 3538400 11.7377 -28.2209 7.19416 -28.2208 29.6037 35.6771 7.19418 35.6772 -34.5956 GPRESSAVG: 3538400 10.6773 -28.5478 4.7427 -30.0031 31.2686 38.6405 7.1741 33.3459 -35.4779 TIMING: 3538400 CPU: 10589.1, 0.00303267/step Wall: 10589.1, 0.00303267/step, 1.23126 hours remaining, 206.714844 MB of memory in use. ENERGY: 3538400 727.6461 2057.1824 1941.9186 114.6980 -205740.7954 17693.4180 0.0000 0.0000 34332.2994 -148873.6329 299.8325 -183205.9322 -148773.9650 299.9857 121.8254 151.4777 556656.0298 2.2486 2.1560 PRESSURE: 3538600 -277.132 -49.3777 -65.8734 -49.3795 -37.2031 -166.33 -65.8726 -166.33 -8.91795 GPRESSURE: 3538600 -209.014 -71.8241 -97.7962 -58.7559 4.92101 -158.866 -100.599 -180.731 -20.3016 PRESSAVG: 3538600 -16.0061 -51.3049 -12.0703 -51.305 7.70359 -25.8887 -12.0703 -25.8888 -16.9837 GPRESSAVG: 3538600 -15.4075 -52.8605 -9.91492 -49.995 6.91614 -27.0604 -10.7661 -24.5265 -16.5015 TIMING: 3538600 CPU: 10589.7, 0.00304127/step Wall: 10589.7, 0.00304127/step, 1.23459 hours remaining, 206.714844 MB of memory in use. ENERGY: 3538600 767.9212 2016.2222 1941.2388 104.2847 -205535.9619 17413.2464 0.0000 0.0000 34548.1953 -148744.8533 301.7180 -183293.0486 -148645.1925 301.0241 -107.7511 -74.7983 556854.4778 -8.4287 -8.3309 PRESSURE: 3538800 -125.701 30.2495 5.32313 30.2502 -195.958 -78.6524 5.32277 -78.653 71.8995 GPRESSURE: 3538800 -182.769 15.838 -81.1388 105.185 -73.1498 -113.728 -27.8803 7.40971 90.352 PRESSAVG: 3538800 -40.0775 5.5219 5.69716 5.52191 12.4923 -26.2412 5.69722 -26.2412 34.6092 GPRESSAVG: 3538800 -40.4917 7.35886 6.0911 6.45932 13.0156 -25.4184 6.00649 -25.4019 34.3115 TIMING: 3538800 CPU: 10590.3, 0.00300727/step Wall: 10590.3, 0.00300727/step, 1.22062 hours remaining, 206.714844 MB of memory in use. ENERGY: 3538800 718.3830 2145.4146 1936.9442 128.4346 -205347.8870 17343.2126 0.0000 0.0000 34220.0859 -148855.4121 298.8525 -183075.4980 -148755.3041 300.9474 -83.2531 -55.1888 558536.4709 2.3413 2.2785 PRESSURE: 3539000 260.862 -141.942 96.2981 -141.943 328.012 -142.312 96.2982 -142.311 287.068 GPRESSURE: 3539000 267.932 -188.719 135.242 -156.777 390.279 -139.369 110.132 -76.3834 324.489 PRESSAVG: 3539000 57.3469 -18.4148 15.4068 -18.4148 -48.5602 -63.7643 15.4069 -63.7642 -18.9397 GPRESSAVG: 3539000 59.0212 -17.955 15.616 -20.9568 -49.5495 -64.6349 12.9391 -65.7707 -19.2278 TIMING: 3539000 CPU: 10590.9, 0.00301794/step Wall: 10590.9, 0.00301794/step, 1.22478 hours remaining, 206.714844 MB of memory in use. ENERGY: 3539000 724.5172 2068.5026 1954.6183 124.4398 -206030.1075 18043.3321 0.0000 0.0000 34381.5618 -148733.1358 300.2627 -183114.6975 -148632.3603 300.4069 291.9807 327.5670 555446.2958 -3.3843 -3.2520 PRESSURE: 3539200 -68.7681 -67.1838 114.133 -67.1829 252.447 -118.627 114.132 -118.624 194.955 GPRESSURE: 3539200 -51.9891 -82.641 84.8121 21.86 267.272 -117.873 96.3053 -120.721 276.623 PRESSAVG: 3539200 -32.2197 -30.5355 -32.6824 -30.5355 51.2501 -44.031 -32.6824 -44.0311 5.88528 GPRESSAVG: 3539200 -32.3873 -31.7149 -33.109 -28.4792 51.5804 -45.2512 -32.857 -42.6482 5.50314 TIMING: 3539200 CPU: 10591.5, 0.0030394/step Wall: 10591.5, 0.0030394/step, 1.23332 hours remaining, 206.714844 MB of memory in use. ENERGY: 3539200 730.8107 2101.6312 1940.8168 138.0127 -206012.0972 17882.0591 0.0000 0.0000 34371.6983 -148847.0683 300.1766 -183218.7666 -148750.9498 300.8325 126.2114 163.9684 556700.5154 8.3052 8.2321 PRESSURE: 3539400 -109.168 56.0603 38.328 56.0618 -260.954 36.9985 38.3271 36.9994 51.8114 GPRESSURE: 3539400 -82.9483 -3.76639 7.5724 70.6047 -192.048 -36.7434 75.9687 8.40417 57.4619 PRESSAVG: 3539400 -2.89293 -14.2469 -31.4837 -14.247 -14.0977 -27.867 -31.4836 -27.8669 43.2154 GPRESSAVG: 3539400 -2.87415 -14.6121 -33.0018 -13.1165 -13.422 -26.2114 -31.4578 -27.479 42.6034 TIMING: 3539400 CPU: 10592.1, 0.00306993/step Wall: 10592.1, 0.00306993/step, 1.24554 hours remaining, 206.714844 MB of memory in use. ENERGY: 3539400 732.6291 2088.5751 1934.5024 112.2897 -205499.0383 17480.1566 0.0000 0.0000 34407.9873 -148742.8980 300.4935 -183150.8854 -148640.0790 300.6572 -106.1036 -72.5116 558853.2650 8.7416 8.7691 PRESSURE: 3539600 145.042 -31.9172 -188.83 -31.9164 -261.388 236.554 -188.831 236.552 -115.625 GPRESSURE: 3539600 108.053 43.2769 -125.966 -63.4252 -177.6 180.042 -180.716 224.794 -60.2061 PRESSAVG: 3539600 28.9118 -61.6746 -22.0993 -61.6747 22.2799 39.4006 -22.0993 39.4007 -21.902 GPRESSAVG: 3539600 27.6075 -60.5974 -22.4971 -63.6304 21.9791 37.2441 -22.1427 40.1761 -20.4409 TIMING: 3539600 CPU: 10592.7, 0.00307988/step Wall: 10592.7, 0.00307988/step, 1.2494 hours remaining, 206.714844 MB of memory in use. ENERGY: 3539600 743.8217 2092.7414 1935.1009 107.6181 -205356.0129 17516.6829 0.0000 0.0000 34288.3751 -148671.6729 299.4489 -182960.0479 -148573.7637 300.2039 -77.3236 -43.2509 559086.6528 9.7632 9.7152 PRESSURE: 3539800 -219.796 28.1262 -75.4204 28.1256 9.52684 -108.71 -75.419 -108.709 -1.62765 GPRESSURE: 3539800 -164.718 -31.5025 -51.1529 60.4718 -0.977558 -74.7032 -113.644 -81.8789 70.6621 PRESSAVG: 3539800 -45.7408 -14.3135 -7.66672 -14.3135 27.4814 -2.53723 -7.66675 -2.53719 18.6394 GPRESSAVG: 3539800 -44.3792 -16.2129 -6.68398 -12.5077 26.5799 -1.57999 -6.55432 -3.85436 18.3431 TIMING: 3539800 CPU: 10593.3, 0.00304678/step Wall: 10593.3, 0.00304678/step, 1.23581 hours remaining, 206.714844 MB of memory in use. ENERGY: 3539800 778.0044 2068.3072 1945.2321 116.9513 -206081.3518 17867.5034 0.0000 0.0000 34480.6173 -148824.7362 301.1278 -183305.3534 -148727.3468 300.3391 -70.6323 -31.6778 558923.3171 0.1266 0.1813 PRESSURE: 3540000 -36.101 101.31 77.765 101.31 216.787 -203.953 77.7645 -203.955 -48.4352 GPRESSURE: 3540000 -21.4536 0.313073 -15.3081 41.2457 262.544 -139.11 141.729 -298.585 3.12999 PRESSAVG: 3540000 -61.423 2.09672 -9.22522 2.09679 85.2187 -6.02407 -9.22515 -6.02401 -43.4697 GPRESSAVG: 3540000 -61.9415 2.48293 -10.0602 1.18966 85.7095 -3.74674 -9.35062 -7.40205 -43.918 TIMING: 3540000 CPU: 10593.9, 0.00304091/step Wall: 10593.9, 0.00304091/step, 1.23326 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: 3540000 770.0318 2041.7518 1966.3821 114.9503 -206069.5786 17902.9675 0.0000 0.0000 34439.0606 -148834.4345 300.7649 -183273.4951 -148729.0113 299.9986 44.0835 81.4069 556977.5436 -6.5580 -6.7167 PRESSURE: 3540200 -43.1384 106.488 162.411 106.487 479.878 61.9932 162.412 61.9931 246.501 GPRESSURE: 3540200 -3.34459 111.558 34.4555 124.051 487.147 29.6037 204.103 55.1087 284.996 PRESSAVG: 3540200 -79.9526 13.6048 -6.62248 13.6047 67.6719 -5.19681 -6.62234 -5.19677 5.57311 GPRESSAVG: 3540200 -80.0347 14.1677 -8.32494 11.7769 67.5693 -7.01799 -5.18034 -4.26972 5.51489 TIMING: 3540200 CPU: 10594.5, 0.00302033/step Wall: 10594.5, 0.00302033/step, 1.22475 hours remaining, 206.714844 MB of memory in use. ENERGY: 3540200 728.8800 2059.3232 1972.5182 120.4547 -206381.7159 18034.1250 0.0000 0.0000 34549.3296 -148917.0851 301.7279 -183466.4147 -148824.0422 299.9940 227.7468 256.2663 556311.4374 -2.2358 -2.3168 LDB: ============= START OF LOAD BALANCING ============== 10598 LDB: ============== END OF LOAD BALANCING =============== 10598 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10598 LDB: ============= START OF LOAD BALANCING ============== 10598.3 LDB: Largest compute 4820 load 0.026475 is 22.4% of average load 0.118031 LDB: Average compute 0.001720 is 1.5% of average load 0.118031 LDB: TIME 10598.3 LOAD: AVG 0.118031 MAX 0.217001 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.773 MB LDB: TIME 10598.3 LOAD: AVG 0.118031 MAX 0.217001 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.777 MB LDB: TIME 10598.3 LOAD: AVG 0.118031 MAX 0.217001 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10598.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10598.3 PRESSURE: 3540400 -155.495 -38.2543 -141.692 -38.2532 164.348 21.7357 -141.691 21.7361 33.6839 GPRESSURE: 3540400 -138.085 17.5545 -167.17 -82.5147 161.055 -68.6059 -145.849 87.1878 110.388 PRESSAVG: 3540400 -103.469 37.1204 14.2421 37.1203 -4.39338 -10.4674 14.2421 -10.4674 131.709 GPRESSAVG: 3540400 -104.855 37.9668 14.9031 38.7153 -3.83209 -10.3335 11.9641 -11.1437 132.236 TIMING: 3540400 CPU: 10595.1, 0.00307207/step Wall: 10595.1, 0.00307207/step, 1.24555 hours remaining, 206.515625 MB of memory in use. ENERGY: 3540400 766.7484 2041.1033 1944.3454 113.4389 -206144.9071 17917.4568 0.0000 0.0000 34543.6480 -148818.1663 301.6783 -183361.8143 -148717.1027 300.1958 14.1787 44.4528 556165.2978 7.9487 7.8499 PRESSURE: 3540600 27.3781 50.9137 21.3224 50.9155 5.2039 77.9968 21.3218 77.9962 15.0094 GPRESSURE: 3540600 75.9945 50.2695 -77.9134 101.868 -59.7341 98.7701 64.3644 142.916 128.635 PRESSAVG: 3540600 -44.1971 -31.3981 -68.5251 -31.398 14.7446 -26.2002 -68.5251 -26.2002 13.3432 GPRESSAVG: 3540600 -41.4982 -31.6268 -66.908 -32.3312 13.2353 -26.0129 -68.1722 -24.4611 12.5055 TIMING: 3540600 CPU: 10595.7, 0.00301818/step Wall: 10595.7, 0.00301818/step, 1.22354 hours remaining, 206.718750 MB of memory in use. ENERGY: 3540600 753.7030 2091.6322 1949.2253 123.8317 -206228.1290 17791.9187 0.0000 0.0000 34445.7835 -149072.0346 300.8236 -183517.8181 -148974.9984 300.3772 15.8638 48.2983 557128.0792 -5.3698 -5.2525 PRESSURE: 3540800 -387.049 -43.0564 108.707 -43.0556 -322.703 -134.15 108.707 -134.15 -249.375 GPRESSURE: 3540800 -316.005 15.91 112.908 -79.491 -314.62 -107.661 40.1007 -68.769 -225.653 PRESSAVG: 3540800 1.26318 0.405681 29.925 0.405722 -63.4327 6.56409 29.925 6.56408 76.1655 GPRESSAVG: 3540800 -1.0604 0.405193 31.2111 0.634817 -62.3018 5.69225 28.4608 5.29785 77.022 TIMING: 3540800 CPU: 10596.3, 0.00303037/step Wall: 10596.3, 0.00303037/step, 1.22831 hours remaining, 206.718750 MB of memory in use. ENERGY: 3540800 786.0355 2126.4561 1949.0464 118.8819 -205710.4895 17384.9336 0.0000 0.0000 34191.0929 -149154.0431 298.5993 -183345.1359 -149063.9323 300.1942 -319.7091 -285.4260 559281.9862 4.6653 4.5533 PRESSURE: 3541000 75.632 -26.5471 66.5545 -26.5446 -204.315 -86.0881 66.5545 -86.0883 -52.1279 GPRESSURE: 3541000 34.3338 -100.825 53.4389 2.81653 -144.825 -70.8698 84.9995 -93.8074 28.7101 PRESSAVG: 3541000 -11.1788 33.8465 33.0775 33.8466 8.65204 -30.1875 33.0775 -30.1877 -28.0029 GPRESSAVG: 3541000 -10.1832 33.1291 30.6195 34.4797 7.72015 -28.2566 35.4053 -28.7731 -27.9709 TIMING: 3541000 CPU: 10597, 0.00303814/step Wall: 10597, 0.00303814/step, 1.23129 hours remaining, 206.718750 MB of memory in use. ENERGY: 3541000 728.8671 2091.1800 1971.1437 120.0887 -206202.1234 17722.7356 0.0000 0.0000 34202.0768 -149366.0315 298.6952 -183568.1083 -149265.4648 298.7421 -60.2704 -27.2603 558082.8267 -10.1766 -10.1446 PRESSURE: 3541200 92.7988 8.62137 139.056 8.62181 -142.815 -103.624 139.055 -103.624 16.8637 GPRESSURE: 3541200 143.606 21.8495 136.944 27.2391 -110.02 -123.727 131.695 -83.8654 30.5333 PRESSAVG: 3541200 -1.63511 5.69708 39.1577 5.69701 -13.691 -32.6701 39.1578 -32.6701 43.8034 GPRESSAVG: 3541200 -1.53241 5.31578 39.5206 5.13266 -14.3336 -32.8597 38.6962 -33.0163 44.5423 TIMING: 3541200 CPU: 10597.6, 0.00304188/step Wall: 10597.6, 0.00304188/step, 1.23264 hours remaining, 206.718750 MB of memory in use. ENERGY: 3541200 760.8882 2077.2577 1942.0273 105.1344 -206224.2591 17718.3144 0.0000 0.0000 34211.2674 -149409.3696 298.7755 -183620.6370 -149308.8930 299.0578 -11.0507 21.3728 557529.2688 9.4924 9.5588 PRESSURE: 3541400 -99.542 -168.501 -92.3552 -168.501 -436.595 -2.22179 -92.3549 -2.22137 -95.5512 GPRESSURE: 3541400 -128.137 -197.374 -88.7997 -94.2433 -353.076 70.4392 -54.2646 -15.7698 -61.7108 PRESSAVG: 3541400 14.8444 57.9996 32.8705 57.9997 5.59362 -3.71221 32.8705 -3.71222 -19.2029 GPRESSAVG: 3541400 14.5858 59.7169 35.242 57.1898 7.60291 -5.88942 30.8087 -4.12847 -20.71 TIMING: 3541400 CPU: 10598.2, 0.00301927/step Wall: 10598.2, 0.00301927/step, 1.22331 hours remaining, 206.718750 MB of memory in use. ENERGY: 3541400 760.8053 2106.8014 1953.2767 108.8294 -206287.6175 17660.6178 0.0000 0.0000 34347.5755 -149349.7114 299.9659 -183697.2869 -149249.4660 298.9272 -210.5629 -180.9744 557651.4378 0.4117 0.4929 PRESSURE: 3541600 -261.272 65.9678 -65.1046 65.968 -137.118 10.8506 -65.1035 10.8504 79.4327 GPRESSURE: 3541600 -171.744 164.119 -58.9595 11.3786 -96.6331 44.3587 -33.1328 -4.61362 40.2771 PRESSAVG: 3541600 28.6106 56.8762 17.737 56.8761 -20.0623 29.7415 17.737 29.7415 -57.5249 GPRESSAVG: 3541600 30.1456 57.2427 13.2884 55.1998 -21.3383 30.4227 21.0629 31.782 -58.0273 TIMING: 3541600 CPU: 10598.8, 0.00302801/step Wall: 10598.8, 0.00302801/step, 1.22668 hours remaining, 206.718750 MB of memory in use. ENERGY: 3541600 769.3484 2092.2613 1965.9677 129.1301 -205974.2679 17493.1987 0.0000 0.0000 34143.4645 -149380.8971 298.1834 -183524.3617 -149285.4380 299.1817 -106.3190 -76.0333 556445.4405 -16.3255 -16.4067 PRESSURE: 3541800 0.735592 67.7005 20.3405 67.7011 383.289 90.5304 20.3413 90.5312 236.195 GPRESSURE: 3541800 72.3844 151.049 15.79 82.5146 382.573 112.736 163.925 1.77835 262.557 PRESSAVG: 3541800 -9.31469 33.3491 23.7716 33.349 -41.1802 11.7426 23.7716 11.7426 57.911 GPRESSAVG: 3541800 -9.73763 31.8397 24.6405 35.3422 -42.2734 12.4036 23.9531 10.2877 59.0049 TIMING: 3541800 CPU: 10599.4, 0.00305149/step Wall: 10599.4, 0.00305149/step, 1.23602 hours remaining, 206.718750 MB of memory in use. ENERGY: 3541800 733.2197 2127.6798 1971.4627 117.3745 -206763.8354 18113.7424 0.0000 0.0000 34266.0591 -149434.2971 299.2540 -183700.3562 -149344.9452 298.2403 206.7397 239.1717 558576.3463 2.4720 2.3313 PRESSURE: 3542000 82.9794 13.3159 113.421 13.3176 -6.28332 180.154 113.422 180.153 244.699 GPRESSURE: 3542000 122.166 -14.9147 183.732 -47.5854 41.8956 196.143 37.096 158.193 241.554 PRESSAVG: 3542000 -17.4054 43.9657 46.956 43.9655 -26.8196 -15.5746 46.956 -15.5748 67.3389 GPRESSAVG: 3542000 -18.7582 44.9478 47.1307 44.4714 -26.041 -15.1523 47.133 -16.4834 67.644 TIMING: 3542000 CPU: 10600, 0.00304415/step Wall: 10600, 0.00304415/step, 1.23288 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: 3542000 769.2682 2128.5284 1951.2213 103.8903 -206703.5011 18180.9092 0.0000 0.0000 34089.1140 -149480.5698 297.7087 -183569.6837 -149382.4566 298.8631 107.1317 135.2054 556631.9936 7.7046 7.6149 PRESSURE: 3542200 20.4365 71.2157 -12.7686 71.2132 -154.344 85.795 -12.7693 85.7956 -86.4524 GPRESSURE: 3542200 50.2965 10.9758 -27.8003 124.447 -85.8211 1.56562 2.1789 99.5228 -92.7019 PRESSAVG: 3542200 -9.81185 -1.43561 10.6947 -1.43549 -31.1371 -44.4194 10.6948 -44.4193 87.0424 GPRESSAVG: 3542200 -8.85219 -2.62185 12.0424 -2.89731 -30.4423 -44.9808 10.0127 -42.5817 85.4109 TIMING: 3542200 CPU: 10600.6, 0.00302354/step Wall: 10600.6, 0.00302354/step, 1.22437 hours remaining, 206.718750 MB of memory in use. ENERGY: 3542200 739.3659 2136.9353 1976.4558 102.8094 -206470.2090 17878.8576 0.0000 0.0000 34345.6158 -149290.1693 299.9488 -183635.7851 -149198.3209 298.6696 -73.4532 -42.7422 558086.9766 15.3645 15.3721 PRESSURE: 3542400 -62.944 -140.174 50.8268 -140.174 -228.709 15.8473 50.8262 15.8482 -142.169 GPRESSURE: 3542400 20.4019 -213.415 -19.9093 -111.056 -227.749 101.46 39.1343 -60.3131 -123.248 PRESSAVG: 3542400 -43.7156 -6.92051 42.1013 -6.92053 9.87779 21.572 42.1012 21.572 38.4896 GPRESSAVG: 3542400 -44.9812 -7.81165 41.7511 -5.27416 9.64965 22.4981 38.6911 18.7773 39.7606 TIMING: 3542400 CPU: 10601.2, 0.00304105/step Wall: 10601.2, 0.00304105/step, 1.23129 hours remaining, 206.718750 MB of memory in use. ENERGY: 3542400 750.3780 2132.1629 1988.2122 112.9044 -206366.3825 17796.7145 0.0000 0.0000 34196.7936 -149389.2168 298.6491 -183586.0104 -149296.6515 299.6170 -144.6071 -110.1986 559553.4015 1.5506 1.4764 PRESSURE: 3542600 149.142 171.888 127.386 171.889 -4.60398 95.1394 127.387 95.1396 1.20677 GPRESSURE: 3542600 175.877 212.855 175.368 82.1872 2.6039 104.455 161.492 -16.6676 53.4616 PRESSAVG: 3542600 -32.2098 -5.39839 40.1409 -5.39832 19.6116 79.4541 40.1409 79.4541 24.0119 GPRESSAVG: 3542600 -31.3383 -4.19756 38.9282 -6.98129 19.4122 78.9625 42.9044 79.9148 23.0806 TIMING: 3542600 CPU: 10601.8, 0.00302676/step Wall: 10601.8, 0.00302676/step, 1.22533 hours remaining, 206.718750 MB of memory in use. ENERGY: 3542600 750.3894 2105.5373 1956.9742 116.6942 -206601.4531 18068.1166 0.0000 0.0000 34186.2201 -149417.5212 298.5568 -183603.7414 -149325.5051 298.6897 48.5817 77.3140 557816.4212 3.8045 3.7182 PRESSURE: 3542800 -164.655 -90.9842 -187.051 -90.9842 35.2063 -56.917 -187.051 -56.9186 -290.911 GPRESSURE: 3542800 -172.734 -108.358 -57.8767 -55.7239 102.474 -21.8585 -206.057 -62.6021 -237.018 PRESSAVG: 3542800 -10.6774 -18.2308 34.2754 -18.2308 12.691 47.7349 34.2754 47.7349 -11.2651 GPRESSAVG: 3542800 -11.2429 -18.2244 33.7565 -16.207 12.4255 48.876 34.7377 48.3657 -10.1942 TIMING: 3542800 CPU: 10602.4, 0.00301113/step Wall: 10602.4, 0.00301113/step, 1.21884 hours remaining, 206.718750 MB of memory in use. ENERGY: 3542800 757.0533 2119.6936 1938.2259 109.9451 -206442.4499 17686.0228 0.0000 0.0000 34393.6798 -149437.8295 300.3686 -183831.5092 -149342.1513 299.0878 -140.1199 -102.4259 557015.7317 -3.0838 -3.0039 PRESSURE: 3543000 -143.457 87.8601 181.879 87.8593 191.784 116.054 181.878 116.054 108.775 GPRESSURE: 3543000 -98.325 87.5576 178.687 65.9446 177.423 90.0085 121.214 156.077 165.636 PRESSAVG: 3543000 -73.9247 -46.5886 -4.3782 -46.5886 34.8794 23.5114 -4.37801 23.5114 54.8832 GPRESSAVG: 3543000 -72.7961 -45.9046 -4.05989 -47.2273 33.6044 23.0936 -4.07503 24.4481 54.552 TIMING: 3543000 CPU: 10603, 0.00302606/step Wall: 10603, 0.00302606/step, 1.22472 hours remaining, 206.718750 MB of memory in use. ENERGY: 3543000 759.9033 2114.1167 1966.2027 102.2532 -206565.0533 18056.2966 0.0000 0.0000 34014.5009 -149551.7799 297.0571 -183566.2808 -149458.2178 298.2044 52.3674 81.5782 555780.4399 5.2793 5.1201 PRESSURE: 3543200 75.8079 64.8399 69.5147 64.8406 -81.2258 38.0376 69.5142 38.0368 -113.668 GPRESSURE: 3543200 134.034 54.4862 112.077 43.9789 -77.9314 126.274 20.2858 15.2135 -74.0043 PRESSAVG: 3543200 -29.8426 18.985 -42.1421 18.985 -42.0551 11.0584 -42.1423 11.0585 90.0434 GPRESSAVG: 3543200 -29.2723 19.7837 -40.4636 16.3156 -41.7787 9.32469 -43.1852 11.2158 89.7089 TIMING: 3543200 CPU: 10603.6, 0.00302956/step Wall: 10603.6, 0.00302956/step, 1.22596 hours remaining, 206.824219 MB of memory in use. ENERGY: 3543200 731.0987 2115.2317 1938.9816 104.4154 -206328.5620 17789.5236 0.0000 0.0000 34340.1536 -149309.1572 299.9011 -183649.3108 -149207.4899 298.7119 -39.6954 -5.9672 558173.8701 6.0485 6.2193 PRESSURE: 3543400 -53.7421 24.3359 8.24627 24.3361 29.2138 -138.256 8.24659 -138.257 -10.2361 GPRESSURE: 3543400 -21.7805 71.7644 -39.8859 8.8594 62.1395 -38.972 10.8165 -153.686 19.5759 PRESSAVG: 3543400 22.8836 17.6507 -2.89211 17.6507 -46.7491 8.99823 -2.89203 8.99821 58.4403 GPRESSAVG: 3543400 21.6651 15.0984 -4.18143 20.6258 -44.9816 10.2828 -1.40387 8.73449 57.8065 TIMING: 3543400 CPU: 10604.2, 0.00303488/step Wall: 10604.2, 0.00303488/step, 1.22795 hours remaining, 206.824219 MB of memory in use. ENERGY: 3543400 786.7025 2097.6478 1926.8532 113.1877 -206241.6389 17901.4783 0.0000 0.0000 34062.1593 -149353.6101 297.4733 -183415.7694 -149248.6534 298.8580 -11.5881 19.9783 557069.0517 11.5249 11.4967 PRESSURE: 3543600 35.4129 50.3655 19.7272 50.3641 -98.9009 13.4671 19.7265 13.4683 -166.802 GPRESSURE: 3543600 63.4846 20.5258 37.8966 119.838 -38.1142 32.0638 93.3834 -7.14082 -164.633 PRESSAVG: 3543600 62.4338 37.1346 45.8145 37.1346 -47.1819 10.6058 45.8145 10.6058 8.78653 GPRESSAVG: 3543600 62.0726 40.2366 44.7605 37.1454 -48.2781 10.7189 44.7513 7.3155 9.56903 TIMING: 3543600 CPU: 10604.8, 0.00303062/step Wall: 10604.8, 0.00303062/step, 1.22605 hours remaining, 206.824219 MB of memory in use. ENERGY: 3543600 775.6566 2118.9376 1941.8320 107.6012 -206234.9257 17794.9847 0.0000 0.0000 34254.3614 -149241.5520 299.1519 -183495.9135 -149145.2710 298.9327 -76.7633 -46.4208 557895.5795 8.0128 7.7879 PRESSURE: 3543800 20.7292 94.6509 -129.615 94.6506 -16.6007 43.21 -129.616 43.2091 64.5452 GPRESSURE: 3543800 105.538 145.496 -8.67476 90.0001 -61.1357 7.88646 -150.949 122.099 122.099 PRESSAVG: 3543800 15.2526 45.8943 18.5112 45.8943 27.3294 11.751 18.5113 11.751 -66.7142 GPRESSAVG: 3543800 14.633 45.2141 23.0065 44.1849 26.8771 11.4585 17.8036 14.4057 -65.7644 TIMING: 3543800 CPU: 10605.4, 0.00303053/step Wall: 10605.4, 0.00303053/step, 1.22585 hours remaining, 206.824219 MB of memory in use. ENERGY: 3543800 759.5031 2071.4079 1918.4601 113.6760 -206113.4217 17869.5989 0.0000 0.0000 34167.7858 -149212.9900 298.3958 -183380.7758 -149119.5348 299.3177 22.8912 55.5001 558115.9668 -8.0441 -8.0848 PRESSURE: 3544000 58.3894 -43.858 -61.1576 -43.8584 -181.433 29.1574 -61.1577 29.1565 -180.24 GPRESSURE: 3544000 71.2399 -34.774 -65.7406 29.3058 -115.126 71.3765 -119.764 -48.0732 -169.999 PRESSAVG: 3544000 15.1081 34.0201 -10.8379 34.0201 16.878 -19.7941 -10.838 -19.7941 -8.62892 GPRESSAVG: 3544000 15.9374 32.0187 -12.8714 36.2274 17.8156 -19.6804 -9.02155 -20.6744 -10.5453 TIMING: 3544000 CPU: 10606.1, 0.0030324/step Wall: 10606.1, 0.0030324/step, 1.22644 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: 3544000 731.0838 2114.2835 1944.4699 106.7620 -206040.7122 17582.9604 0.0000 0.0000 34520.4211 -149040.7317 301.4754 -183561.1528 -148944.0432 299.4461 -101.0946 -71.2950 557570.4616 7.7857 7.7359 PRESSURE: 3544200 43.7762 -200.009 177.191 -200.008 106.077 -147.221 177.191 -147.222 181.916 GPRESSURE: 3544200 90.7908 -196.279 190.015 -141.297 115.432 -169.876 61.2457 -182.562 225.467 PRESSAVG: 3544200 -5.08305 11.5618 16.4233 11.5618 53.4169 -30.362 16.4232 -30.3621 -4.57602 GPRESSAVG: 3544200 -6.41463 13.3562 17.195 11.1458 52.9796 -30.6069 14.567 -29.9776 -2.90547 TIMING: 3544200 CPU: 10606.7, 0.00301809/step Wall: 10606.7, 0.00301809/step, 1.22048 hours remaining, 206.824219 MB of memory in use. ENERGY: 3544200 717.5271 2117.3772 1930.5524 108.5438 -206423.6589 18022.0331 0.0000 0.0000 34456.5702 -149071.0552 300.9178 -183527.6253 -148972.3250 299.3687 110.5899 143.8967 557642.3203 14.5860 14.5532 LDB: ============= START OF LOAD BALANCING ============== 10610.1 LDB: ============== END OF LOAD BALANCING =============== 10610.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10610.1 LDB: ============= START OF LOAD BALANCING ============== 10610.4 LDB: Largest compute 4820 load 0.025518 is 21.6% of average load 0.118165 LDB: Average compute 0.001722 is 1.5% of average load 0.118165 LDB: TIME 10610.4 LOAD: AVG 0.118165 MAX 0.220912 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.742 MB LDB: TIME 10610.4 LOAD: AVG 0.118165 MAX 0.220912 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: TIME 10610.4 LOAD: AVG 0.118165 MAX 0.220912 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10610.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10610.4 PRESSURE: 3544400 -87.659 -108.346 58.9366 -108.347 69.4076 80.3981 58.9368 80.396 -248.562 GPRESSURE: 3544400 -62.6252 -44.1566 91.3099 -137.939 72.0672 205.921 72.2702 24.4909 -170.975 PRESSAVG: 3544400 -34.8766 -2.68182 51.4725 -2.6818 24.4604 58.3884 51.4726 58.3885 22.268 GPRESSAVG: 3544400 -36.3673 -3.18875 50.8834 -4.14687 25.3344 58.5408 50.7951 58.5318 22.1441 TIMING: 3544400 CPU: 10607.3, 0.00311346/step Wall: 10607.3, 0.00311346/step, 1.25888 hours remaining, 206.773438 MB of memory in use. ENERGY: 3544400 771.1671 2052.6612 1912.7088 99.0174 -205942.2355 17670.5239 0.0000 0.0000 34202.2499 -149233.9073 298.6968 -183436.1571 -149137.9329 299.3768 -88.9377 -53.8443 557054.4757 3.9506 3.7038 PRESSURE: 3544600 86.7396 -159.291 23.9928 -159.291 90.1773 -55.2144 23.9939 -55.2147 -4.3269 GPRESSURE: 3544600 130.135 -14.2882 95.8475 -134.894 95.279 -50.3304 -101.663 -32.1533 49.5498 PRESSAVG: 3544600 16.2482 -64.5461 29.2987 -64.546 -26.842 1.78829 29.2985 1.78833 12.6718 GPRESSAVG: 3544600 16.9872 -63.1401 28.5792 -62.7298 -27.7577 1.08076 29.5647 0.311205 12.7834 TIMING: 3544600 CPU: 10607.9, 0.00306677/step Wall: 10607.9, 0.00306677/step, 1.23983 hours remaining, 206.773438 MB of memory in use. ENERGY: 3544600 740.7438 2088.0799 1932.9370 109.5409 -206477.9789 18188.5919 0.0000 0.0000 33982.2964 -149435.7889 296.7758 -183418.0853 -149344.1925 298.4045 57.5300 91.6545 557181.3291 0.6927 0.6710 PRESSURE: 3544800 -45.5342 -74.5725 -154.297 -74.5732 -35.3262 -50.6864 -154.296 -50.6854 -101.255 GPRESSURE: 3544800 10.5093 -144.786 -101.495 49.537 -45.4656 -41.0099 -201.677 -61.5445 -54.3322 PRESSAVG: 3544800 -16.6164 -72.3233 19.6797 -72.3233 -60.1268 -0.602258 19.6798 -0.602242 91.9415 GPRESSAVG: 3544800 -16.1031 -71.9639 19.6025 -74.5509 -61.2248 -0.491681 20.6904 0.790329 92.1094 TIMING: 3544800 CPU: 10608.5, 0.00303227/step Wall: 10608.5, 0.00303227/step, 1.22571 hours remaining, 206.773438 MB of memory in use. ENERGY: 3544800 740.7481 2052.2178 1943.0197 103.2863 -206365.3179 18031.8978 0.0000 0.0000 34066.2778 -149427.8704 297.5093 -183494.1482 -149334.6967 297.5542 -60.7052 -29.7629 558843.6687 5.0661 4.9272 PRESSURE: 3545000 -114.851 135.72 127.067 135.72 -26.8234 -6.6808 127.067 -6.6816 -84.4959 GPRESSURE: 3545000 -140.135 133.159 108.229 98.937 86.4923 5.07702 82.6486 -23.6011 -77.0933 PRESSAVG: 3545000 43.2944 10.4508 13.8741 10.4508 8.4663 20.471 13.8741 20.471 -56.0525 GPRESSAVG: 3545000 43.3632 9.66518 14.4681 11.0205 9.65708 20.4582 13.2986 19.598 -56.9788 TIMING: 3545000 CPU: 10609.1, 0.00305865/step Wall: 10609.1, 0.00305865/step, 1.2362 hours remaining, 206.773438 MB of memory in use. ENERGY: 3545000 733.4427 2061.3283 1940.5566 118.4526 -206206.2120 17938.6023 0.0000 0.0000 34128.2413 -149285.5881 298.0504 -183413.8294 -149194.9813 298.6414 -75.3900 -43.5785 558254.8722 -1.4306 -1.3195 PRESSURE: 3545200 111.865 -0.429934 -171.143 -0.430229 305.049 196.654 -171.141 196.653 -27.2673 GPRESSURE: 3545200 86.8204 -48.6332 -99.9064 -48.486 367.39 192.716 -207.148 198.77 25.2678 PRESSAVG: 3545200 -27.6337 33.6761 -17.0795 33.6761 14.2694 -33.4527 -17.0795 -33.4527 23.9451 GPRESSAVG: 3545200 -28.0449 32.1205 -16.7946 35.2892 14.7134 -33.3501 -18.4815 -34.3061 24.5975 TIMING: 3545200 CPU: 10609.7, 0.0030468/step Wall: 10609.7, 0.0030468/step, 1.23125 hours remaining, 206.773438 MB of memory in use. ENERGY: 3545200 726.8470 2071.1758 1924.8332 109.7146 -206204.6905 17988.7688 0.0000 0.0000 34279.4042 -149103.9469 299.3706 -183383.3511 -149009.0083 299.4195 129.8822 159.8260 557850.9466 3.5269 3.7553 PRESSURE: 3545400 -96.6399 -84.2097 -112.689 -84.2097 -175.679 -140.757 -112.689 -140.758 -165.421 GPRESSURE: 3545400 -84.9937 -90.1676 -89.0999 -31.2426 -131.748 -197.237 -116.413 -140.983 -127.314 PRESSAVG: 3545400 -67.8039 -29.2756 -9.48897 -29.2756 39.7362 -23.7239 -9.48897 -23.724 53.2685 GPRESSAVG: 3545400 -67.4451 -28.0394 -10.7356 -28.4891 38.9383 -22.22 -7.44296 -23.4167 53.2559 TIMING: 3545400 CPU: 10610.3, 0.00303637/step Wall: 10610.3, 0.00303637/step, 1.22686 hours remaining, 206.773438 MB of memory in use. ENERGY: 3545400 716.7548 2069.9620 1926.6686 115.5964 -205662.0919 17533.1271 0.0000 0.0000 34436.3258 -148863.6572 300.7410 -183299.9830 -148766.2804 299.7744 -145.9134 -114.6851 559206.1109 8.4002 8.2497 PRESSURE: 3545600 -144.614 -37.5169 77.2124 -37.518 118.234 -11.7258 77.2115 -11.7239 -114.284 GPRESSURE: 3545600 -135.446 -12.5635 103.544 13.1615 106.203 28.7053 33.4704 -97.2161 -14.8222 PRESSAVG: 3545600 -43.2098 -2.82412 94.074 -2.8242 -38.2108 -7.73343 94.074 -7.73338 36.3637 GPRESSAVG: 3545600 -43.3573 -3.77473 95.7908 -6.76442 -37.9481 -8.81407 92.4143 -7.0033 36.3253 TIMING: 3545600 CPU: 10610.9, 0.00303428/step Wall: 10610.9, 0.00303428/step, 1.22585 hours remaining, 206.773438 MB of memory in use. ENERGY: 3545600 776.3309 2025.0655 1942.8329 98.3457 -205640.6431 17820.8131 0.0000 0.0000 34327.6257 -148649.6293 299.7917 -182977.2550 -148557.8389 300.2298 -46.8880 -14.6883 559471.5019 -15.0190 -14.9933 PRESSURE: 3545800 -101.46 1.29074 216.862 1.29207 -317.655 -21.7509 216.863 -21.75 45.7028 GPRESSURE: 3545800 -60.422 -38.3109 183.66 -59.5481 -239.269 65.811 245.859 -28.5748 31.9683 PRESSAVG: 3545800 12.9717 28.8271 -14.5792 28.8271 -67.7873 26.2235 -14.5792 26.2235 45.3369 GPRESSAVG: 3545800 13.8301 29.0227 -15.5008 31.2353 -67.418 26.3159 -11.827 26.496 44.1246 TIMING: 3545800 CPU: 10611.5, 0.00306113/step Wall: 10611.5, 0.00306113/step, 1.23653 hours remaining, 206.773438 MB of memory in use. ENERGY: 3545800 744.8371 2162.1488 1893.0625 113.5596 -205384.6843 17533.9321 0.0000 0.0000 34361.8278 -148575.3163 300.0904 -182937.1441 -148480.5302 300.1344 -124.4704 -89.2411 557916.6952 -3.1596 -3.1544 PRESSURE: 3546000 125.151 -128.561 8.65411 -128.561 -23.9412 -125.544 8.65379 -125.543 173.145 GPRESSURE: 3546000 184.729 -81.3201 -55.5834 -172.847 -17.3405 -41.3593 42.3355 -147.749 205.567 PRESSAVG: 3546000 39.4182 -35.5389 23.1106 -35.5389 -48.55 31.9184 23.1106 31.9185 30.2191 GPRESSAVG: 3546000 38.3314 -34.9106 24.0428 -35.9676 -47.7649 32.4781 22.7664 33.0051 30.2001 TIMING: 3546000 CPU: 10612.2, 0.0030331/step Wall: 10612.2, 0.0030331/step, 1.22504 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: 3546000 694.2690 2086.8470 1913.0629 118.2645 -205560.8258 17601.4637 0.0000 0.0000 34500.7591 -148646.1595 301.3037 -183146.9186 -148548.3515 300.7713 91.4518 124.3183 555927.6324 7.0291 6.9222 PRESSURE: 3546200 -71.8188 -36.1269 -53.7922 -36.1271 77.0989 -253.556 -53.7924 -253.556 121.38 GPRESSURE: 3546200 -44.9783 -64.1444 -17.4436 5.26649 95.7159 -294.955 -24.9872 -226.735 177.326 PRESSAVG: 3546200 -10.7623 -83.9846 14.7548 -83.9845 -5.31959 -9.41191 14.7547 -9.41197 16.5838 GPRESSAVG: 3546200 -10.32 -86.5015 14.2568 -84.2921 -7.1018 -10.3984 12.357 -11.0177 18.3537 TIMING: 3546200 CPU: 10612.8, 0.00303434/step Wall: 10612.8, 0.00303434/step, 1.22537 hours remaining, 206.773438 MB of memory in use. ENERGY: 3546200 736.3307 2128.0492 1919.9618 105.2828 -205743.0943 17744.5333 0.0000 0.0000 34418.0050 -148690.9316 300.5810 -183108.9365 -148585.0860 300.6735 42.2200 76.0212 557468.2347 0.1673 0.3106 PRESSURE: 3546400 -306.495 205.825 -26.6232 205.825 42.3467 -4.222 -26.6232 -4.22183 -124.229 GPRESSURE: 3546400 -272.529 157.475 39.3012 210.45 94.0093 7.68372 -88.6393 -34.0814 -114.923 PRESSAVG: 3546400 2.3053 -44.847 -32.6197 -44.8471 47.6961 -49.1585 -32.6198 -49.1585 -73.436 GPRESSAVG: 3546400 1.86949 -42.0336 -31.8759 -45.678 48.3293 -48.4763 -32.4456 -48.0261 -74.6904 TIMING: 3546400 CPU: 10613.4, 0.00301194/step Wall: 10613.4, 0.00301194/step, 1.21615 hours remaining, 206.773438 MB of memory in use. ENERGY: 3546400 759.6181 2095.4390 1965.2698 121.8764 -205658.6390 17595.5443 0.0000 0.0000 34383.9330 -148736.9583 300.2834 -183120.8913 -148641.3207 300.3799 -129.4591 -97.8143 558289.1580 -7.8115 -8.1639 PRESSURE: 3546600 -62.6308 221.261 37.1063 221.262 14.5785 231.928 37.1054 231.929 -162.529 GPRESSURE: 3546600 -63.4236 241.002 96.5604 203.781 35.6744 235.698 29.5416 256.007 -97.8317 PRESSAVG: 3546600 15.9489 7.68198 18.2392 7.68197 -40.1195 5.98452 18.2392 5.9846 52.4109 GPRESSAVG: 3546600 15.7074 6.70961 17.824 8.89719 -39.9418 6.42987 18.5015 5.95864 51.7778 TIMING: 3546600 CPU: 10614, 0.00302549/step Wall: 10614, 0.00302549/step, 1.22146 hours remaining, 206.773438 MB of memory in use. ENERGY: 3546600 756.8446 2118.7890 1953.4143 117.9170 -206002.4104 17749.3648 0.0000 0.0000 34439.7260 -148866.3547 300.7707 -183306.0807 -148779.4015 300.5029 -70.1936 -41.8603 558997.2105 9.4134 9.1811 PRESSURE: 3546800 216.865 -53.3085 122.792 -53.3079 78.9996 123.189 122.791 123.19 141.161 GPRESSURE: 3546800 198.353 -35.2473 103.239 -153.96 95.7309 55.1802 174.728 99.8484 233.334 PRESSAVG: 3546800 85.6713 -52.7318 28.9303 -52.7317 -12.575 41.8726 28.9303 41.8726 -44.4334 GPRESSAVG: 3546800 85.9627 -53.0879 28.6183 -51.4656 -12.9563 41.151 29.9412 43.1341 -43.8926 TIMING: 3546800 CPU: 10614.6, 0.00303292/step Wall: 10614.6, 0.00303292/step, 1.22429 hours remaining, 206.773438 MB of memory in use. ENERGY: 3546800 781.1848 2064.3039 1958.3688 118.9627 -206516.1419 18045.5259 0.0000 0.0000 34631.5234 -148916.2724 302.4457 -183547.7958 -148820.7232 300.2612 145.6750 175.8060 556980.3589 9.5543 9.7046 PRESSURE: 3547000 -128.492 -121.989 43.4022 -121.988 -54.626 -86.0062 43.4023 -86.0061 -383.77 GPRESSURE: 3547000 -106.116 -113.727 -69.5933 -117.375 -10.9905 -71.5034 144.693 -111.572 -351.364 PRESSAVG: 3547000 41.6788 -37.1969 41.4375 -37.1969 -8.32444 51.1482 41.4374 51.1482 3.48796 GPRESSAVG: 3547000 41.9506 -37.969 43.3341 -40.1555 -8.75838 51.1973 41.158 48.6613 3.1832 TIMING: 3547000 CPU: 10615.2, 0.00303838/step Wall: 10615.2, 0.00303839/step, 1.22633 hours remaining, 206.773438 MB of memory in use. ENERGY: 3547000 694.5149 2145.7108 1956.6304 117.5350 -205689.0808 17396.3674 0.0000 0.0000 34566.1449 -148812.1773 301.8747 -183378.3222 -148716.2943 300.5358 -188.9627 -156.1568 558196.3355 12.2808 12.1251 PRESSURE: 3547200 -229.146 -4.31189 -7.57152 -4.31388 -106.62 -16.747 -7.5716 -16.7482 -221.548 GPRESSURE: 3547200 -163.191 -66.417 -65.6909 -32.5638 -76.3422 -51.7885 11.3756 -26.6503 -215.596 PRESSAVG: 3547200 -1.50251 -21.1789 33.6239 -21.1789 46.9858 6.70012 33.624 6.7001 -21.9565 GPRESSAVG: 3547200 -0.617794 -19.4595 30.3463 -20.6388 48.6731 6.72467 32.5847 7.51517 -23.5193 TIMING: 3547200 CPU: 10615.8, 0.00302639/step Wall: 10615.8, 0.00302639/step, 1.22132 hours remaining, 206.773438 MB of memory in use. ENERGY: 3547200 719.9220 2069.6633 1956.9129 117.5602 -205585.8832 17361.6338 0.0000 0.0000 34390.5469 -148969.6440 300.3412 -183360.1909 -148864.6066 300.6320 -185.7715 -151.7095 557710.0892 7.8423 8.1787 PRESSURE: 3547400 -184.006 -13.9542 -29.0305 -13.9534 -58.1404 -19.5466 -29.0301 -19.5467 48.5762 GPRESSURE: 3547400 -138.705 -108.152 85.1448 92.4418 -12.5294 -64.1499 -37.6253 8.8175 54.3879 PRESSAVG: 3547400 -2.83184 -10.6239 39.163 -10.6238 52.9911 34.0714 39.1628 34.0714 -28.6367 GPRESSAVG: 3547400 -3.35614 -13.5461 39.5986 -7.72868 51.2802 35.3956 38.2067 32.6638 -25.9633 TIMING: 3547400 CPU: 10616.4, 0.00303879/step Wall: 10616.4, 0.00303879/step, 1.22615 hours remaining, 206.773438 MB of memory in use. ENERGY: 3547400 736.6408 2140.9373 1952.3637 115.1395 -205770.1695 17593.6238 0.0000 0.0000 34439.0816 -148792.3828 300.7651 -183231.4644 -148694.1946 300.4634 -64.5233 -32.2822 558038.5781 7.1742 7.3203 PRESSURE: 3547600 -267.034 -85.5728 98.4944 -85.5726 -83.5475 102.303 98.4951 102.305 -219.486 GPRESSURE: 3547600 -199.195 -109.321 69.5944 -93.6952 -75.6413 72.0884 94.8051 80.0426 -206.988 PRESSAVG: 3547600 -15.9315 43.4729 -33.085 43.4729 -13.03 29.4631 -33.0849 29.463 50.7973 GPRESSAVG: 3547600 -17.615 44.3058 -33.0488 41.7416 -11.6068 28.5282 -31.5278 30.7314 51.0992 TIMING: 3547600 CPU: 10617, 0.00303293/step Wall: 10617, 0.00303293/step, 1.22362 hours remaining, 206.773438 MB of memory in use. ENERGY: 3547600 748.4164 2119.8863 1939.2670 121.5751 -205669.7633 17372.2481 0.0000 0.0000 34534.3347 -148834.0359 301.5969 -183368.3706 -148738.5595 300.0493 -190.0228 -160.6081 557942.3408 7.2786 7.2925 PRESSURE: 3547800 -68.5281 -8.79112 118.767 -8.79183 41.7872 -70.7595 118.766 -70.7596 91.3261 GPRESSURE: 3547800 -55.4782 -25.2872 115.312 93.7096 23.9421 -139.499 74.2163 -16.6126 196.179 PRESSAVG: 3547800 -60.011 18.3165 39.7551 18.3165 -0.673403 24.5256 39.7552 24.5256 55.0296 GPRESSAVG: 3547800 -59.0274 18.4868 41.2625 19.9585 -1.49862 26.1703 37.8373 23.5625 54.4625 TIMING: 3547800 CPU: 10617.6, 0.00304093/step Wall: 10617.6, 0.00304093/step, 1.22668 hours remaining, 206.773438 MB of memory in use. ENERGY: 3547800 755.3483 2125.4695 1958.1027 112.7965 -206241.6710 17905.7612 0.0000 0.0000 34462.4172 -148921.7755 300.9689 -183384.1927 -148821.0467 300.8641 21.5284 54.8809 557531.3176 -1.8849 -2.0212 PRESSURE: 3548000 107.388 -72.0232 132.794 -72.0223 -22.5522 -106.061 132.794 -106.059 145.608 GPRESSURE: 3548000 103.743 -93.645 122.327 -115.546 7.1211 -84.0128 82.5058 -88.3061 223.924 PRESSAVG: 3548000 -69.9102 -30.4698 27.6737 -30.4698 -3.3272 -16.1605 27.6737 -16.1605 54.1948 GPRESSAVG: 3548000 -70.4697 -28.385 25.4931 -33.0601 -2.28207 -18.0052 28.5275 -14.2704 53.5946 TIMING: 3548000 CPU: 10618.2, 0.0030358/step Wall: 10618.2, 0.0030358/step, 1.22444 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: 3548000 775.6019 2087.7449 1922.0640 117.0372 -205976.2418 17978.1027 0.0000 0.0000 34298.5133 -148797.1778 299.5374 -183095.6911 -148703.2847 300.1275 76.8144 111.5960 558372.8516 -6.3476 -6.3857 PRESSURE: 3548200 140.296 -4.68937 99.7702 -4.68846 -75.2325 -57.68 99.7695 -57.6812 131.678 GPRESSURE: 3548200 90.0009 -22.0181 67.8531 -25.8513 73.2455 -104.406 73.271 -19.6355 145.803 PRESSAVG: 3548200 14.1665 -31.5618 3.70729 -31.5617 -13.5856 -24.6875 3.70721 -24.6875 42.7774 GPRESSAVG: 3548200 15.0991 -33.0449 6.52952 -29.6434 -14.5658 -24.4157 2.90788 -27.3489 42.8462 TIMING: 3548200 CPU: 10618.8, 0.0030286/step Wall: 10618.8, 0.0030286/step, 1.22137 hours remaining, 206.773438 MB of memory in use. ENERGY: 3548200 698.0182 2080.2274 1942.9690 113.0447 -205947.1842 17859.1115 0.0000 0.0000 34422.7011 -148831.1123 300.6220 -183253.8134 -148739.3074 300.4138 65.5804 103.0166 558238.3824 14.4528 14.4598 LDB: ============= START OF LOAD BALANCING ============== 10622.3 LDB: ============== END OF LOAD BALANCING =============== 10622.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10622.3 LDB: ============= START OF LOAD BALANCING ============== 10622.6 LDB: Largest compute 4820 load 0.024962 is 21.1% of average load 0.118170 LDB: Average compute 0.001727 is 1.5% of average load 0.118170 LDB: TIME 10622.6 LOAD: AVG 0.11817 MAX 0.217714 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 10622.6 LOAD: AVG 0.11817 MAX 0.217714 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.293 MB LDB: TIME 10622.6 LOAD: AVG 0.11817 MAX 0.217714 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.293 MB LDB: ============== END OF LOAD BALANCING =============== 10622.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10622.6 PRESSURE: 3548400 -12.8066 150.563 219.301 150.563 190.068 -125.673 219.3 -125.672 30.4686 GPRESSURE: 3548400 -8.28069 158.4 257.645 191.108 177.862 -81.8869 168.4 -62.718 121.475 PRESSAVG: 3548400 -58.079 1.64528 78.26 1.64528 29.3609 -14.0032 78.26 -14.0031 9.94262 GPRESSAVG: 3548400 -59.1028 2.84267 77.956 -0.168021 30.4719 -14.2371 78.8664 -13.2909 9.28738 TIMING: 3548400 CPU: 10619.4, 0.00309574/step Wall: 10619.4, 0.00309574/step, 1.24827 hours remaining, 208.054688 MB of memory in use. ENERGY: 3548400 743.6171 2106.9745 1936.3472 110.2160 -206234.1260 18030.5563 0.0000 0.0000 34355.1481 -148951.2667 300.0321 -183306.4148 -148850.7106 300.2413 69.2433 97.0187 558383.0248 -6.2585 -6.4478 PRESSURE: 3548600 65.1445 90.6258 -122.711 90.6247 -15.5022 -15.4829 -122.71 -15.4824 139.89 GPRESSURE: 3548600 80.4242 60.7111 -113.296 87.972 -23.9891 21.1373 -43.959 -60.9953 219.357 PRESSAVG: 3548600 41.5389 32.2281 -10.1703 32.2281 54.0537 37.9844 -10.1702 37.9844 -31.7746 GPRESSAVG: 3548600 42.9628 29.7729 -12.2156 32.7956 51.394 38.5247 -8.40224 40.0473 -30.4194 TIMING: 3548600 CPU: 10620.1, 0.00305593/step Wall: 10620.1, 0.00305593/step, 1.23205 hours remaining, 208.257812 MB of memory in use. ENERGY: 3548600 781.6037 2120.0987 1919.8347 119.8708 -205563.9546 17718.6272 0.0000 0.0000 34018.5041 -148885.4154 297.0921 -182903.9195 -148802.7726 300.0527 63.1773 91.9309 558558.5995 21.2726 21.3124 PRESSURE: 3548800 222.769 81.8737 -50.801 81.8735 90.6057 -16.4142 -50.8007 -16.4137 -37.2106 GPRESSURE: 3548800 204.866 60.1185 -15.2822 -35.4021 85.6093 -7.53013 -57.0154 -70.3672 86.849 PRESSAVG: 3548800 -34.9258 -31.0041 -16.8597 -31.0041 5.94748 53.5491 -16.8597 53.5492 18.5153 GPRESSAVG: 3548800 -34.8361 -32.9168 -14.7707 -27.3383 6.09906 54.5198 -19.2582 51.2647 17.9646 TIMING: 3548800 CPU: 10620.7, 0.00305996/step Wall: 10620.7, 0.00305996/step, 1.23351 hours remaining, 208.257812 MB of memory in use. ENERGY: 3548800 693.0600 2072.0630 1978.6470 119.8014 -206020.8592 17903.6262 0.0000 0.0000 34446.7056 -148806.9560 300.8316 -183253.6617 -148715.1140 299.6023 92.0546 125.7747 557378.6975 -3.4877 -3.5908 PRESSURE: 3549000 -186.384 77.3953 -12.5936 77.3952 -37.0845 116.187 -12.593 116.19 -49.2985 GPRESSURE: 3549000 -155.167 125.669 -72.3662 111.613 -15.6441 123.301 -69.6453 164.952 5.7997 PRESSAVG: 3549000 67.1366 30.2124 -57.4155 30.2125 -9.7042 44.108 -57.4156 44.1081 -50.1451 GPRESSAVG: 3549000 66.1429 32.1993 -57.9362 26.7741 -9.56791 41.9031 -55.9429 45.5953 -49.71 TIMING: 3549000 CPU: 10621.3, 0.00306894/step Wall: 10621.3, 0.00306894/step, 1.23695 hours remaining, 208.257812 MB of memory in use. ENERGY: 3549000 738.9222 2130.5445 1949.2245 111.4890 -205726.4180 17465.5489 0.0000 0.0000 34318.5072 -149012.1818 299.7121 -183330.6889 -148908.0200 299.5386 -90.9225 -55.0038 558018.2310 2.4291 2.2883 PRESSURE: 3549200 -239.067 174.091 -168.327 174.091 -105.857 -88.5088 -168.327 -88.5076 -98.8924 GPRESSURE: 3549200 -219.64 118.836 -116.793 160.247 -41.8503 -82.1424 -166.394 -81.6858 -87.4641 PRESSAVG: 3549200 -51.4664 12.1394 1.98689 12.1392 14.2431 -8.41271 1.98691 -8.41281 37.8259 GPRESSAVG: 3549200 -52.2391 12.3217 0.528037 13.5502 15.8023 -9.18137 2.55672 -6.90084 37.5282 TIMING: 3549200 CPU: 10621.9, 0.00305634/step Wall: 10621.9, 0.00305634/step, 1.23171 hours remaining, 208.257812 MB of memory in use. ENERGY: 3549200 751.8319 2131.0443 1948.4013 114.9976 -205625.2567 17548.1211 0.0000 0.0000 34215.3100 -148915.5505 298.8108 -183130.8605 -148812.8461 300.0512 -147.9387 -116.3182 557807.6591 0.2009 0.3638 PRESSURE: 3549400 -96.5973 -30.3924 216.927 -30.3932 -308.8 -65.1735 216.926 -65.1726 -280.687 GPRESSURE: 3549400 -124.626 6.5404 233.294 -54.149 -251.078 -36.5928 237.224 -128.494 -215.623 PRESSAVG: 3549400 -12.0698 -0.0308888 33.6285 -0.0308059 -23.7673 45.1719 33.6285 45.1719 15.7685 GPRESSAVG: 3549400 -11.8639 -0.385456 34.097 -0.380522 -24.9958 46.1794 32.7231 43.9323 16.9971 TIMING: 3549400 CPU: 10622.5, 0.00305575/step Wall: 10622.5, 0.00305575/step, 1.2313 hours remaining, 208.257812 MB of memory in use. ENERGY: 3549400 785.6831 2146.7547 1969.3789 113.1877 -205662.3819 17533.3196 0.0000 0.0000 34262.6142 -148851.4437 299.2239 -183114.0580 -148752.4682 299.6444 -228.6948 -197.1090 558016.1639 -6.6895 -6.6209 PRESSURE: 3549600 -4.36942 139.597 -56.0851 139.598 236.436 -138.385 -56.0849 -138.384 293.365 GPRESSURE: 3549600 96.901 18.7119 -55.665 190.666 240.705 -222.727 -19.8665 -214.556 289.254 PRESSAVG: 3549600 62.7898 -21.189 1.79381 -21.189 -28.7587 -9.65098 1.79376 -9.65098 16.6946 GPRESSAVG: 3549600 63.2289 -19.5971 2.55889 -20.6964 -27.3947 -8.7759 2.26266 -9.44428 14.5221 TIMING: 3549600 CPU: 10623.1, 0.00310137/step Wall: 10623.1, 0.00310137/step, 1.24951 hours remaining, 208.257812 MB of memory in use. ENERGY: 3549600 733.1619 2108.2320 1927.0418 135.2246 -206166.8227 17902.7654 0.0000 0.0000 34169.8401 -149190.5570 298.4137 -183360.3971 -149091.9202 300.1738 175.1438 208.9533 556619.6581 16.9086 16.7854 PRESSURE: 3549800 122.22 -53.7824 -134.272 -53.7817 -222.507 -51.8136 -134.271 -51.8127 -230.53 GPRESSURE: 3549800 74.2676 -98.3772 -188.21 -52.0602 -129.714 18.8022 -192.415 -86.5055 -165.524 PRESSAVG: 3549800 48.7935 6.64105 -18.623 6.64099 37.4342 11.958 -18.6231 11.958 -62.723 GPRESSAVG: 3549800 49.2663 5.69554 -20.0319 6.18521 36.4764 11.836 -16.9376 11.5847 -61.8867 TIMING: 3549800 CPU: 10623.7, 0.00305798/step Wall: 10623.7, 0.00305798/step, 1.23186 hours remaining, 208.257812 MB of memory in use. ENERGY: 3549800 762.7239 2064.2054 1949.5642 113.2365 -206061.5373 17724.8732 0.0000 0.0000 34215.4344 -149231.4996 298.8119 -183446.9340 -149137.7536 299.5249 -110.2724 -73.6567 557307.3671 7.8349 7.9520 PRESSURE: 3550000 -172.491 -95.8565 92.529 -95.8561 375.865 164.549 92.5296 164.548 183.006 GPRESSURE: 3550000 -97.0479 -77.2694 201.293 -176.191 375.105 23.0943 -25.9483 229.284 207.132 PRESSAVG: 3550000 -18.0542 -17.9337 -39.0608 -17.9336 35.8177 54.6576 -39.0608 54.6579 -19.8278 GPRESSAVG: 3550000 -17.9191 -18.9861 -38.3734 -17.5884 35.6087 54.507 -40.6082 53.9599 -20.0606 TIMING: 3550000 CPU: 10624.3, 0.00302444/step Wall: 10624.3, 0.00302444/step, 1.21818 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: 3550000 730.2460 2109.0294 1940.8283 116.7577 -206424.7062 17971.7566 0.0000 0.0000 34255.0475 -149301.0407 299.1578 -183556.0882 -149203.9951 299.0801 128.7934 161.7299 557085.3672 -0.6881 -0.7903 PRESSURE: 3550200 -151.204 -91.6405 -261.761 -91.6409 -136.232 36.4043 -261.76 36.4058 44.1107 GPRESSURE: 3550200 -108.274 -148.844 -234.972 -112.982 -74.5512 -24.216 -188.379 -4.88504 32.1647 PRESSAVG: 3550200 2.12887 3.75309 -5.66161 3.75317 80.6668 63.2606 -5.66152 63.2606 -30.4878 GPRESSAVG: 3550200 2.20105 3.4942 -5.53618 3.0573 80.7038 61.0477 -6.86288 65.7034 -30.8456 TIMING: 3550200 CPU: 10624.9, 0.00302113/step Wall: 10624.9, 0.00302113/step, 1.21668 hours remaining, 208.257812 MB of memory in use. ENERGY: 3550200 779.3880 2096.7668 1932.9544 111.5152 -205882.5537 17789.8299 0.0000 0.0000 33924.9657 -149247.1336 296.2752 -183172.0993 -149157.7042 299.1177 -81.1083 -50.2203 557783.4510 17.4360 17.3531 PRESSURE: 3550400 -120.054 -111.285 -113.729 -111.286 -100.311 -70.2098 -113.729 -70.2114 -171.402 GPRESSURE: 3550400 -63.7228 -79.4093 -100.809 -61.0038 -129.687 -135.368 -100.576 -38.0076 -112.078 PRESSAVG: 3550400 20.5594 -41.2103 22.9018 -41.2103 -61.6108 32.6867 22.9018 32.6866 -18.8475 GPRESSAVG: 3550400 20.8962 -39.8387 23.0486 -41.6576 -61.6214 35.3116 21.7265 28.7953 -18.65 TIMING: 3550400 CPU: 10625.5, 0.00303714/step Wall: 10625.5, 0.00303714/step, 1.22296 hours remaining, 208.257812 MB of memory in use. ENERGY: 3550400 779.6764 2112.5327 1912.1806 108.5840 -206258.6338 17678.1332 0.0000 0.0000 34312.7202 -149354.8065 299.6615 -183667.5267 -149257.7480 299.2231 -130.5890 -101.8293 557266.0102 -19.9663 -19.7917 PRESSURE: 3550600 -186.38 -161.931 67.5193 -161.93 -202.774 -67.2201 67.5183 -67.2202 -27.061 GPRESSURE: 3550600 -82.9627 -230.388 97.988 -94.223 -176.492 -88.6936 -14.2738 -53.8773 -60.7641 PRESSAVG: 3550600 30.7483 -43.6406 -35.3335 -43.6406 5.25749 -33.4971 -35.3336 -33.4972 -2.42952 GPRESSAVG: 3550600 29.9252 -43.7274 -35.1833 -43.3394 6.30927 -33.7283 -35.0944 -32.1824 -2.40818 TIMING: 3550600 CPU: 10626.2, 0.00307753/step Wall: 10626.2, 0.00307753/step, 1.23905 hours remaining, 208.257812 MB of memory in use. ENERGY: 3550600 812.3224 2143.7423 1945.8365 106.0687 -206002.3719 17676.0752 0.0000 0.0000 34241.5449 -149076.7818 299.0399 -183318.3267 -148981.7362 299.4445 -138.7384 -106.7397 558413.8097 11.1921 11.2754 PRESSURE: 3550800 -192.596 0.612971 64.0359 0.613182 -114.329 178.711 64.0349 178.71 30.533 GPRESSURE: 3550800 -121.059 -74.8595 96.245 43.8756 -111.592 136.454 102.564 188.772 47.7577 PRESSAVG: 3550800 27.75 17.0424 -1.18019 17.0424 15.2332 -83.2241 -1.1802 -83.2242 -24.8789 GPRESSAVG: 3550800 27.4671 17.0081 -2.16596 19.3771 15.0957 -83.3637 -0.783026 -82.3492 -24.5136 TIMING: 3550800 CPU: 10626.8, 0.00308569/step Wall: 10626.8, 0.00308569/step, 1.24216 hours remaining, 208.257812 MB of memory in use. ENERGY: 3550800 755.4937 2090.9247 1948.7965 116.5746 -205771.0938 17456.5746 0.0000 0.0000 34293.0530 -149109.6768 299.4898 -183402.7298 -149007.2987 299.6924 -92.1308 -61.6312 557346.1136 6.0348 6.0164 PRESSURE: 3551000 -24.3476 4.82838 -8.40289 4.82923 111.794 -117.3 -8.40331 -117.299 -66.98 GPRESSURE: 3551000 47.6327 87.6788 60.5079 -5.95962 123.782 -120.459 -31.7639 -112.071 -51.3976 PRESSAVG: 3551000 -60.0886 -24.76 25.9596 -24.76 52.7445 11.4367 25.9595 11.4368 41.4328 GPRESSAVG: 3551000 -58.8948 -24.7812 28.3002 -25.1841 52.2304 11.4122 24.9864 11.7946 40.6372 TIMING: 3551000 CPU: 10627.4, 0.00304706/step Wall: 10627.4, 0.00304706/step, 1.22644 hours remaining, 208.257812 MB of memory in use. ENERGY: 3551000 734.6811 2078.4283 1963.6889 109.9899 -206155.1130 17639.9405 0.0000 0.0000 34506.8636 -149121.5207 301.3570 -183628.3843 -149030.5140 299.2626 6.8223 40.0057 556966.5936 11.3629 11.3243 PRESSURE: 3551200 8.95517 245.694 -76.5352 245.693 159.992 179.515 -76.536 179.516 297.299 GPRESSURE: 3551200 63.4357 304.657 -92.6983 222.342 182.687 199.709 -106.027 158.778 309.434 PRESSAVG: 3551200 -32.7704 92.1517 -5.36749 92.1516 60.9488 31.9382 -5.36751 31.9383 -15.8492 GPRESSAVG: 3551200 -33.7752 93.2076 -6.80249 88.9791 61.2654 30.8952 -3.8311 31.7484 -15.036 TIMING: 3551200 CPU: 10628, 0.00307632/step Wall: 10628, 0.00307632/step, 1.23805 hours remaining, 208.257812 MB of memory in use. ENERGY: 3551200 756.0674 2185.4180 1943.6071 109.4992 -206271.9035 17877.6029 0.0000 0.0000 34378.0794 -149021.6294 300.2323 -183399.7088 -148925.5453 300.2336 155.4152 185.1858 557211.8340 4.1097 4.1514 PRESSURE: 3551400 54.5712 83.5065 75.0735 83.5076 182.565 69.7088 75.0728 69.7065 -15.5334 GPRESSURE: 3551400 89.6386 48.6645 93.8394 45.3621 237.198 13.7014 69.684 160.891 -4.71267 PRESSAVG: 3551400 -61.9115 11.6221 -12.303 11.6222 60.5714 64.2736 -12.303 64.2735 9.5079 GPRESSAVG: 3551400 -61.4542 10.9697 -13.2322 13.8355 61.5448 64.9653 -12.4955 64.5056 7.92251 TIMING: 3551400 CPU: 10628.6, 0.00305357/step Wall: 10628.6, 0.00305357/step, 1.22872 hours remaining, 208.257812 MB of memory in use. ENERGY: 3551400 774.0712 2170.4488 1973.1774 118.3515 -206250.9235 17831.9599 0.0000 0.0000 34389.0219 -148993.8928 300.3279 -183382.9147 -148908.4032 300.3715 73.8676 107.3747 556849.5171 2.7226 2.6710 PRESSURE: 3551600 -6.47218 -61.5597 30.1399 -61.5596 -105.705 -50.2869 30.1402 -50.287 -83.858 GPRESSURE: 3551600 57.3609 -126.923 62.6727 25.0881 -97.6303 -22.0321 -50.286 -95.2215 -49.1536 PRESSAVG: 3551600 -16.2375 -12.7507 -18.6595 -12.7507 44.6651 17.6887 -18.6594 17.6886 -7.11712 GPRESSAVG: 3551600 -15.1342 -12.1158 -18.5805 -11.5281 42.8799 15.826 -18.1747 18.4963 -6.49277 TIMING: 3551600 CPU: 10629.2, 0.0030696/step Wall: 10629.2, 0.0030696/step, 1.235 hours remaining, 208.257812 MB of memory in use. ENERGY: 3551600 785.9936 2119.6691 1931.7919 112.2628 -205897.7190 17608.2871 0.0000 0.0000 34567.8729 -148771.8415 301.8898 -183339.7144 -148683.0530 300.4789 -65.3449 -29.8077 556936.0157 7.1035 7.0843 PRESSURE: 3551800 -70.1139 148.611 105.845 148.612 164.64 36.6413 105.844 36.6402 281.88 GPRESSURE: 3551800 -64.961 178.828 82.9487 176.054 250.712 -43.3355 61.9752 131.191 289.515 PRESSAVG: 3551800 28.9428 17.5524 74.2574 17.5524 -15.4093 8.28713 74.2573 8.28709 8.41555 GPRESSAVG: 3551800 27.1047 18.8641 74.4895 14.8438 -13.7738 11.0046 73.0552 8.05554 7.96506 TIMING: 3551800 CPU: 10629.8, 0.00306277/step Wall: 10629.8, 0.00306277/step, 1.23208 hours remaining, 208.257812 MB of memory in use. ENERGY: 3551800 760.3152 2124.9608 1953.1902 113.1497 -206078.5038 17889.0010 0.0000 0.0000 34340.6832 -148897.2037 299.9057 -183237.8869 -148793.9524 301.0572 125.4686 158.4222 557148.1353 7.3163 7.0987 PRESSURE: 3552000 -52.6406 54.4441 0.386354 54.4443 0.321514 52.7004 0.385446 52.6997 -197.502 GPRESSURE: 3552000 -1.92221 51.1637 -20.1506 8.81683 17.8403 50.7003 -33.0118 115.237 -161.221 PRESSAVG: 3552000 -19.0225 54.9683 -17.892 54.9682 25.6121 9.15956 -17.892 9.15957 -4.26257 GPRESSAVG: 3552000 -18.3879 52.5638 -16.0834 57.3837 24.7516 6.66542 -18.1683 10.1483 -4.69448 TIMING: 3552000 CPU: 10630.5, 0.00305482/step Wall: 10630.5, 0.00305482/step, 1.22872 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: 3552000 772.2913 2150.2237 1946.6114 107.3090 -206078.0417 17712.6418 0.0000 0.0000 34594.3243 -148794.6403 302.1208 -183388.9647 -148700.7893 300.3932 -83.2736 -48.4342 557832.1598 0.7757 0.5564 PRESSURE: 3552200 -101.827 -18.7697 -19.1592 -18.77 -183.395 -77.0865 -19.1592 -77.0862 -100.053 GPRESSURE: 3552200 -76.2542 -38.4774 17.7228 -3.84249 -118.509 -73.0015 -19.1791 -44.4276 -89.2711 PRESSAVG: 3552200 -41.4853 19.9153 -48.0919 19.9154 -38.1046 -56.2724 -48.0919 -56.2723 48.2707 GPRESSAVG: 3552200 -42.1401 22.5224 -50.381 18.2532 -37.7476 -54.2417 -47.4778 -58.5486 48.703 TIMING: 3552200 CPU: 10631.1, 0.00305489/step Wall: 10631.1, 0.00305489/step, 1.22857 hours remaining, 208.257812 MB of memory in use. ENERGY: 3552200 775.3255 2191.0718 1965.6831 113.2201 -205848.9158 17626.2283 0.0000 0.0000 34258.7640 -148918.6231 299.1903 -183177.3871 -148819.7012 300.6486 -128.4251 -94.6782 557775.5745 -10.4397 -10.3949 LDB: ============= START OF LOAD BALANCING ============== 10634.5 LDB: ============== END OF LOAD BALANCING =============== 10634.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10634.5 LDB: ============= START OF LOAD BALANCING ============== 10634.8 LDB: Largest compute 4820 load 0.025275 is 21.4% of average load 0.118155 LDB: Average compute 0.001722 is 1.5% of average load 0.118155 LDB: TIME 10634.8 LOAD: AVG 0.118155 MAX 0.222129 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.52 MB LDB: TIME 10634.8 LOAD: AVG 0.118155 MAX 0.222129 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.52 MB LDB: TIME 10634.8 LOAD: AVG 0.118155 MAX 0.222129 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.52 MB LDB: ============== END OF LOAD BALANCING =============== 10634.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10634.8 PRESSURE: 3552400 306.837 -42.3238 -14.2694 -42.323 -36.9287 -16.4149 -14.2693 -16.4144 -7.19828 GPRESSURE: 3552400 337.518 -34.749 67.5321 -29.6148 61.1578 -39.4784 -94.9788 -54.3652 -30.3711 PRESSAVG: 3552400 -10.0854 -38.6341 32.6507 -38.634 36.5723 -56.4664 32.6507 -56.4663 -25.2981 GPRESSAVG: 3552400 -9.61449 -40.9197 34.078 -38.1338 37.1805 -56.164 32.1536 -55.8521 -26.4785 TIMING: 3552400 CPU: 10631.7, 0.0030964/step Wall: 10631.7, 0.0030964/step, 1.2451 hours remaining, 206.570312 MB of memory in use. ENERGY: 3552400 726.6764 2153.7810 1942.0496 111.0728 -206091.5031 17862.0600 0.0000 0.0000 34339.1957 -148956.6677 299.8927 -183295.8634 -148854.0919 300.5136 87.5699 122.7683 556147.0846 0.3963 0.3625 PRESSURE: 3552600 216.378 34.3138 -47.1524 34.3137 272.236 173.677 -47.1532 173.677 -84.1488 GPRESSURE: 3552600 196.997 92.6114 81.7251 34.494 311.701 38.1304 -147.529 222.322 -13.0865 PRESSAVG: 3552600 48.2063 -6.6356 -26.2272 -6.63555 -15.837 30.2482 -26.2272 30.2481 -35.5446 GPRESSAVG: 3552600 47.9371 -5.82351 -27.0013 -6.08104 -17.4442 27.5414 -24.369 31.9353 -33.6668 TIMING: 3552600 CPU: 10632.3, 0.00305986/step Wall: 10632.3, 0.00305987/step, 1.23024 hours remaining, 206.812500 MB of memory in use. ENERGY: 3552600 730.4524 2152.5296 1932.8601 122.3215 -206124.1337 18073.6435 0.0000 0.0000 34056.9617 -149055.3650 297.4279 -183112.3267 -148954.1864 300.1411 134.8219 165.2039 556739.3901 -1.0585 -1.0579 PRESSURE: 3552800 -145.667 107.917 39.1475 107.918 -275.681 110.176 39.1479 110.176 54.7109 GPRESSURE: 3552800 -71.8334 57.1504 -54.115 137.965 -242.199 83.9467 36.1733 104.417 51.1359 PRESSAVG: 3552800 51.0456 -7.32858 42.6601 -7.32851 -16.2531 48.4428 42.6602 48.4428 12.3693 GPRESSAVG: 3552800 50.0007 -7.28542 42.9189 -7.67814 -14.859 49.192 40.2015 46.7283 11.7549 TIMING: 3552800 CPU: 10632.9, 0.00306749/step Wall: 10632.9, 0.00306749/step, 1.23313 hours remaining, 207.066406 MB of memory in use. ENERGY: 3552800 755.7733 2115.6417 1945.7960 110.9709 -206086.2680 17706.1710 0.0000 0.0000 34419.1188 -149032.7963 300.5907 -183451.9151 -148940.7438 300.2259 -122.2121 -87.6323 556926.7968 15.7206 15.6322 PRESSURE: 3553000 -12.1265 82.1039 7.75213 82.1044 -85.3138 125.764 7.75151 125.763 -194.458 GPRESSURE: 3553000 18.9328 66.4721 52.1313 -0.58917 -58.6671 163.629 5.46343 81.6555 -157.207 PRESSAVG: 3553000 3.72262 2.30755 48.9144 2.30744 -21.9471 78.8403 48.9145 78.8403 -41.0835 GPRESSAVG: 3553000 5.06913 0.765715 49.5635 3.30827 -22.4935 81.0347 50.7518 78.549 -41.5438 TIMING: 3553000 CPU: 10633.5, 0.00303549/step Wall: 10633.5, 0.00303549/step, 1.2201 hours remaining, 207.066406 MB of memory in use. ENERGY: 3553000 723.7813 2148.5367 1919.2772 123.0813 -206170.1643 17659.3125 0.0000 0.0000 34565.0961 -149031.0792 301.8656 -183596.1753 -148932.5304 300.4013 -97.2994 -65.6471 557069.7657 -19.7693 -19.6561 PRESSURE: 3553200 1.32881 305.412 88.3075 305.412 -85.7828 -98.9979 88.3065 -98.9969 -148.265 GPRESSURE: 3553200 -27.34 263.956 80.6425 335.641 -10.7712 -154.345 111.379 -78.5127 -100.524 PRESSAVG: 3553200 16.5633 60.4326 18.6905 60.4324 33.8511 55.7053 18.6905 55.7053 -72.6083 GPRESSAVG: 3553200 16.2556 61.5958 16.5644 58.3505 34.3454 56.0065 18.9944 54.4607 -72.8907 TIMING: 3553200 CPU: 10634.1, 0.00304324/step Wall: 10634.1, 0.00304324/step, 1.22305 hours remaining, 207.066406 MB of memory in use. ENERGY: 3553200 748.3402 2109.7148 1933.7248 111.4107 -205638.6828 17363.0677 0.0000 0.0000 34266.3163 -149106.1083 299.2563 -183372.4246 -149015.2888 300.1770 -77.5729 -46.2117 556743.3621 -7.3980 -7.4299 PRESSURE: 3553400 27.8698 -74.1816 -75.6209 -74.1821 -63.565 -201.188 -75.6221 -201.189 103.154 GPRESSURE: 3553400 39.4374 -72.0947 -110.901 0.2837 -35.3223 -249.236 -16.104 -91.2547 147.357 PRESSAVG: 3553400 1.63436 32.7317 -23.9691 32.7316 -14.8663 -37.9212 -23.9692 -37.9213 4.69997 GPRESSAVG: 3553400 0.888049 33.2763 -23.0088 35.1655 -15.3151 -38.3382 -24.5564 -36.3184 5.77092 TIMING: 3553400 CPU: 10634.7, 0.00305161/step Wall: 10634.7, 0.00305161/step, 1.22624 hours remaining, 207.066406 MB of memory in use. ENERGY: 3553400 700.0106 2126.4636 1925.2621 115.5064 -206208.6376 17713.5698 0.0000 0.0000 34407.6176 -149220.2075 300.4903 -183627.8252 -149128.3983 300.0825 22.4862 50.4907 555694.4594 -2.8440 -2.8854 PRESSURE: 3553600 1.34226 163.385 62.3942 163.383 -234.653 -43.6206 62.3947 -43.6193 -166.501 GPRESSURE: 3553600 -7.62268 180.088 33.5248 145.001 -136.435 8.7763 18.0274 -38.8428 -149.918 PRESSAVG: 3553600 46.0857 -26.0587 16.1576 -26.0587 -102.32 -33.9988 16.1575 -33.9988 18.7607 GPRESSAVG: 3553600 46.8586 -27.7806 15.9655 -27.2474 -103.178 -35.396 16.3063 -33.5915 18.6539 TIMING: 3553600 CPU: 10635.3, 0.0030359/step Wall: 10635.3, 0.0030359/step, 1.21976 hours remaining, 207.066406 MB of memory in use. ENERGY: 3553600 722.5512 2099.2053 1952.2692 116.4572 -205596.9302 17440.9586 0.0000 0.0000 34107.8971 -149157.5916 297.8727 -183265.4887 -149062.3263 299.3045 -133.2706 -97.9919 556710.2578 -12.4913 -12.5552 PRESSURE: 3553800 -303.823 62.6658 -101.103 62.6648 -285.926 -13.9734 -101.103 -13.9731 -232.662 GPRESSURE: 3553800 -274.037 86.7765 22.4852 65.4626 -273.598 49.6744 -31.2909 -46.2356 -172.404 PRESSAVG: 3553800 26.3262 50.8575 -20.4174 50.8574 -10.5773 -44.8003 -20.4175 -44.8005 10.1645 GPRESSAVG: 3553800 26.1653 50.2386 -20.3519 49.2171 -9.71217 -44.2298 -18.8508 -43.6956 9.54075 TIMING: 3553800 CPU: 10635.9, 0.00303325/step Wall: 10635.9, 0.00303325/step, 1.21853 hours remaining, 207.066406 MB of memory in use. ENERGY: 3553800 803.1089 2090.2971 1935.1976 122.6618 -205641.5659 17446.9091 0.0000 0.0000 34136.3815 -149107.0098 298.1215 -183243.3913 -149011.6864 300.6577 -274.1374 -240.0132 557260.5125 8.6378 8.6646 PRESSURE: 3554000 22.4932 6.44359 -106.398 6.44436 -145.263 -161.229 -106.398 -161.228 67.5767 GPRESSURE: 3554000 56.1669 17.4654 -66.7678 35.6682 -106.363 -137.978 -112.033 -195.139 93.3748 PRESSAVG: 3554000 -59.1954 57.5316 5.57144 57.5315 22.1757 -65.1669 5.5714 -65.1668 -11.6326 GPRESSAVG: 3554000 -58.6287 60.8404 6.48849 59.4127 21.9016 -67.4421 3.36659 -64.5307 -12.2152 TIMING: 3554000 CPU: 10636.6, 0.003054/step Wall: 10636.6, 0.003054/step, 1.22669 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: 3554000 738.3077 2119.8610 1903.8247 116.2277 -206278.0983 17704.2313 0.0000 0.0000 34455.0614 -149240.5846 300.9046 -183695.6460 -149138.9087 298.7924 -18.3976 14.3929 557103.8819 -16.2174 -16.3141 PRESSURE: 3554200 -202.515 -28.4175 -84.4495 -28.4174 -147.676 23.2357 -84.4493 23.2352 -111.647 GPRESSURE: 3554200 -128.414 5.16906 -134.155 -53.0398 -136.927 -34.2409 -123.993 67.1492 -118.919 PRESSAVG: 3554200 3.82043 15.0626 -24.9698 15.0627 -73.5928 -67.0078 -24.9697 -67.0079 63.1561 GPRESSAVG: 3554200 4.00742 13.8171 -25.4844 13.1527 -73.357 -63.8341 -24.8636 -68.9123 62.6591 TIMING: 3554200 CPU: 10637.2, 0.00306058/step Wall: 10637.2, 0.00306058/step, 1.22916 hours remaining, 207.066406 MB of memory in use. ENERGY: 3554200 734.4467 2106.2192 1931.5514 116.6406 -205814.2073 17630.6180 0.0000 0.0000 34059.6452 -149235.0860 297.4514 -183294.7312 -149138.6036 299.0523 -153.9460 -128.0867 558111.7999 -2.2054 -2.2301 PRESSURE: 3554400 84.9029 13.9674 194.529 13.9688 126.218 -12.0056 194.528 -12.0052 105.879 GPRESSURE: 3554400 92.8603 30.2703 167.393 15.2277 218.383 -157.027 254.993 54.6656 92.6162 PRESSAVG: 3554400 -80.2538 60.9848 6.03074 60.9848 46.0566 -37.8362 6.03062 -37.8362 96.5376 GPRESSAVG: 3554400 -79.5817 61.7517 4.27216 61.6592 45.4572 -40.4559 5.71513 -36.6441 96.6988 TIMING: 3554400 CPU: 10637.8, 0.003054/step Wall: 10637.8, 0.003054/step, 1.22635 hours remaining, 207.066406 MB of memory in use. ENERGY: 3554400 712.4810 2084.0520 1950.3186 117.9803 -206446.6971 18015.0586 0.0000 0.0000 34551.9652 -149014.8415 301.7509 -183566.8067 -148914.5158 299.1295 105.6665 134.6198 556667.8861 20.7801 20.8581 PRESSURE: 3554600 -129.878 13.2626 27.0297 13.2623 -52.4259 -24.1747 27.0308 -24.1754 111.815 GPRESSURE: 3554600 -118.599 -29.4465 1.51964 -2.9807 -23.2675 -18.3451 79.1789 -57.7231 163.426 PRESSAVG: 3554600 -30.7114 -23.4913 10.4807 -23.4914 19.3548 18.2647 10.4806 18.2648 25.1861 GPRESSAVG: 3554600 -31.9702 -26.0572 10.2238 -23.2683 20.5295 18.546 11.3437 16.6896 24.8557 TIMING: 3554600 CPU: 10638.4, 0.00302646/step Wall: 10638.4, 0.00302646/step, 1.21512 hours remaining, 207.066406 MB of memory in use. ENERGY: 3554600 727.2005 2077.6284 1931.9473 116.1000 -205989.4637 17632.6729 0.0000 0.0000 34456.3631 -149047.5515 300.9160 -183503.9145 -148946.6218 300.0841 -23.4961 7.1864 557484.4725 4.6098 4.4716 PRESSURE: 3554800 49.714 13.2018 79.5889 13.2019 110.242 -82.584 79.5885 -82.5843 60.4318 GPRESSURE: 3554800 99.2006 -15.8145 -3.65427 -50.4346 162.458 -99.0725 79.7599 -78.1351 38.8815 PRESSAVG: 3554800 -12.0327 19.2401 31.4163 19.2401 45.0464 6.14229 31.4163 6.14234 29.0875 GPRESSAVG: 3554800 -12.2553 19.9595 32.9997 19.5467 44.2294 7.09471 30.5033 8.67333 29.8971 TIMING: 3554800 CPU: 10639, 0.00304378/step Wall: 10639, 0.00304378/step, 1.22191 hours remaining, 207.066406 MB of memory in use. ENERGY: 3554800 744.1530 2100.4393 1943.0717 125.4386 -206192.5470 17902.2111 0.0000 0.0000 34122.6972 -149254.5362 298.0020 -183377.2334 -149166.7930 299.3763 73.4625 100.1801 557511.0950 20.7004 20.6237 PRESSURE: 3555000 -158.513 -247.134 2.09589 -247.133 122.754 -37.0973 2.09523 -37.0966 -42.6128 GPRESSURE: 3555000 -118.314 -242.447 173.828 -231.531 112.092 -74.6524 11.201 -69.0978 22.3755 PRESSAVG: 3555000 -50.7744 32.6329 43.1327 32.6331 54.3173 -41.9725 43.1327 -41.9725 28.6964 GPRESSAVG: 3555000 -51.304 32.6763 45.2025 30.8356 55.7394 -43.8915 45.664 -44.2531 27.8953 TIMING: 3555000 CPU: 10639.6, 0.00301296/step Wall: 10639.6, 0.00301296/step, 1.20937 hours remaining, 207.066406 MB of memory in use. ENERGY: 3555000 778.4824 2120.5567 1958.2085 106.5234 -206214.8022 17773.9940 0.0000 0.0000 34365.7390 -149111.2981 300.1245 -183477.0371 -149011.6528 299.9061 -26.1240 5.3844 555637.8042 10.7465 10.7769 PRESSURE: 3555200 -149.543 155.395 207.786 155.394 2.30036 -79.9403 207.784 -79.9397 -272.675 GPRESSURE: 3555200 -94.0229 132.347 83.7586 171.072 30.6696 -75.8287 231.003 -12.5858 -258.853 PRESSAVG: 3555200 -49.5775 19.1131 50.0222 19.1131 114.761 -13.1296 50.0222 -13.1295 -40.8625 GPRESSAVG: 3555200 -49.1692 20.5632 48.3959 19.2591 113.021 -12.4657 49.0556 -11.9472 -39.871 TIMING: 3555200 CPU: 10640.2, 0.00302967/step Wall: 10640.2, 0.00302967/step, 1.21591 hours remaining, 207.066406 MB of memory in use. ENERGY: 3555200 758.2881 2124.5560 1918.2886 115.9981 -205935.1448 17701.4718 0.0000 0.0000 34288.0394 -149028.5028 299.4460 -183316.5422 -148936.0392 299.9850 -139.9725 -107.4020 557474.6378 8.1070 7.9937 PRESSURE: 3555400 138.241 125.245 -97.1785 125.247 43.9363 -81.6805 -97.1777 -81.6798 207.693 GPRESSURE: 3555400 192.485 73.419 -224.386 153.898 70.6188 -176.23 -15.4204 -35.0484 220.431 PRESSAVG: 3555400 -19.1716 28.9841 36.8539 28.9842 46.1617 -16.1253 36.8538 -16.1252 2.40317 GPRESSAVG: 3555400 -18.5174 26.1043 36.7013 29.893 45.4977 -16.9097 35.5077 -16.5083 1.62327 TIMING: 3555400 CPU: 10640.8, 0.00304824/step Wall: 10640.8, 0.00304824/step, 1.22319 hours remaining, 207.066406 MB of memory in use. ENERGY: 3555400 744.6581 2096.2910 1929.7925 113.5586 -206129.6179 17880.4843 0.0000 0.0000 34174.8237 -149190.0097 298.4572 -183364.8334 -149092.2804 299.2879 129.9565 161.1783 555738.8465 9.7978 9.5345 PRESSURE: 3555600 -21.4773 -55.7233 -103.156 -55.723 -66.5747 46.4244 -103.157 46.4234 -17.7544 GPRESSURE: 3555600 18.2321 -26.6107 -165.613 -149.879 -68.3053 39.2926 -68.9082 51.2002 46.3379 PRESSAVG: 3555600 4.89508 -52.3245 -27.6512 -52.3246 -9.13379 17.4108 -27.6511 17.4108 17.3729 GPRESSAVG: 3555600 3.04732 -49.9504 -27.5204 -53.5601 -7.62567 19.3779 -27.2074 15.4978 17.0421 TIMING: 3555600 CPU: 10641.4, 0.00304518/step Wall: 10641.4, 0.00304518/step, 1.22179 hours remaining, 207.066406 MB of memory in use. ENERGY: 3555600 774.0288 2082.6312 1929.4424 107.0877 -206001.1440 17689.3371 0.0000 0.0000 34209.6712 -149208.9456 298.7616 -183418.6168 -149109.1081 299.6437 -35.2688 -1.2451 556226.3329 4.3781 4.1546 PRESSURE: 3555800 -125.873 47.2761 68.2821 47.2757 27.596 18.3409 68.2831 18.3397 -148.439 GPRESSURE: 3555800 -117.877 33.3211 62.888 -16.3154 47.429 44.2815 41.6978 43.2869 -80.9274 PRESSAVG: 3555800 31.0184 -24.7059 -45.8283 -24.7058 -32.0015 10.6811 -45.8282 10.681 -34.3403 GPRESSAVG: 3555800 30.5535 -27.0582 -44.7817 -21.227 -31.7714 8.82317 -46.9476 11.8413 -34.643 TIMING: 3555800 CPU: 10642, 0.0030363/step Wall: 10642, 0.0030363/step, 1.21806 hours remaining, 207.066406 MB of memory in use. ENERGY: 3555800 736.9304 2110.0988 1913.4228 124.5969 -206104.3234 17693.3488 0.0000 0.0000 34263.0994 -149262.8263 299.2282 -183525.9256 -149165.9104 299.1246 -82.2388 -50.4583 556931.1000 -11.7745 -11.9536 PRESSURE: 3556000 32.134 -90.2425 23.0695 -90.2421 259.441 -94.1259 23.0686 -94.1257 -6.78444 GPRESSURE: 3556000 64.6867 -37.5963 -19.597 -177.832 280.948 -78.4715 22.0524 -88.3871 38.91 PRESSAVG: 3556000 -0.014494 -23.6152 50.4389 -23.6153 66.3131 9.96631 50.4388 9.96617 -31.8009 GPRESSAVG: 3556000 -0.622762 -20.2922 49.7189 -26.4362 66.6168 11.6009 52.6579 9.52358 -31.9978 TIMING: 3556000 CPU: 10642.6, 0.0030514/step Wall: 10642.6, 0.0030514/step, 1.22395 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: 3556000 741.8433 2107.3604 1953.0424 119.3999 -206340.8330 17889.8237 0.0000 0.0000 34248.5224 -149280.8408 299.1009 -183529.3632 -149191.9728 299.5880 94.9302 128.1815 555426.3727 11.4992 11.3321 PRESSURE: 3556200 -170.868 -15.2047 -59.6492 -15.2048 -51.4647 -8.28553 -59.6488 -8.28563 102.38 GPRESSURE: 3556200 -158.531 -11.7033 -44.3985 -45.7448 -16.5731 3.25148 -119.554 1.15066 124.994 PRESSAVG: 3556200 -48.3756 24.8548 46.5744 24.8548 35.5758 0.352717 46.5745 0.352748 8.44602 GPRESSAVG: 3556200 -46.9232 24.9578 47.3928 26.5071 34.1128 -0.461504 45.7614 0.355016 8.90129 TIMING: 3556200 CPU: 10643.3, 0.0030451/step Wall: 10643.3, 0.0030451/step, 1.22125 hours remaining, 207.066406 MB of memory in use. ENERGY: 3556200 753.5785 2119.4102 1937.1080 107.2818 -206205.8842 17533.9960 0.0000 0.0000 34439.1063 -149315.4034 300.7653 -183754.5097 -149213.2666 299.0426 -39.9841 -16.7034 557640.6979 -1.4513 -1.3030 LDB: ============= START OF LOAD BALANCING ============== 10646.7 LDB: ============== END OF LOAD BALANCING =============== 10646.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10646.7 LDB: ============= START OF LOAD BALANCING ============== 10647 LDB: Largest compute 4820 load 0.023485 is 19.9% of average load 0.118177 LDB: Average compute 0.001719 is 1.5% of average load 0.118177 LDB: TIME 10647 LOAD: AVG 0.118177 MAX 0.217546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.598 MB LDB: TIME 10647 LOAD: AVG 0.118177 MAX 0.217546 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.602 MB LDB: TIME 10647 LOAD: AVG 0.118177 MAX 0.217546 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.602 MB LDB: ============== END OF LOAD BALANCING =============== 10647 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10647 PRESSURE: 3556400 -477.269 -29.8112 -177.936 -29.8108 -161.491 75.4194 -177.936 75.4184 169.125 GPRESSURE: 3556400 -417.97 -89.1795 -124.803 -4.04549 -136.899 81.3477 -224.844 110.513 169.48 PRESSAVG: 3556400 -25.8282 -17.2403 -20.7532 -17.2404 -32.4809 62.7235 -20.7531 62.7236 30.7238 GPRESSAVG: 3556400 -26.9228 -20.1369 -22.5866 -18.1958 -30.6438 62.8204 -20.1396 61.8206 30.6386 TIMING: 3556400 CPU: 10643.9, 0.00311744/step Wall: 10643.9, 0.00311744/step, 1.25009 hours remaining, 206.000000 MB of memory in use. ENERGY: 3556400 801.4981 2092.8102 1956.0162 123.8982 -206195.2832 17687.5043 0.0000 0.0000 34264.5546 -149269.0017 299.2409 -183533.5563 -149176.4823 299.1767 -156.5451 -128.4629 556393.0489 -9.1951 -8.9760 PRESSURE: 3556600 -305.401 38.4008 90.3174 38.3987 -118.675 15.2553 90.317 15.2547 110.918 GPRESSURE: 3556600 -293.883 50.7864 -20.1786 37.5403 -72.6575 -59.5623 95.103 -45.0233 148.826 PRESSAVG: 3556600 10.8068 -4.19159 -20.5073 -4.19167 -47.355 -21.3579 -20.5073 -21.3577 25.0837 GPRESSAVG: 3556600 11.7036 -6.11454 -18.0918 -1.68503 -47.9579 -22.0046 -23.166 -20.7825 24.7714 TIMING: 3556600 CPU: 10644.5, 0.00304174/step Wall: 10644.5, 0.00304174/step, 1.21957 hours remaining, 206.367188 MB of memory in use. ENERGY: 3556600 742.7144 2108.9779 1942.5185 115.1034 -205971.5350 17552.1805 0.0000 0.0000 34295.2963 -149214.7439 299.5094 -183510.0402 -149123.8270 299.4476 -104.3862 -72.5716 557184.8230 -3.8215 -3.8276 PRESSURE: 3556800 -74.7055 71.4346 74.3327 71.4344 -101.97 -16.9045 74.332 -16.904 -77.9428 GPRESSURE: 3556800 -22.1979 42.1598 65.3684 3.7563 -118.7 5.53189 29.3669 41.8172 -28.0675 PRESSAVG: 3556800 -32.5295 -58.3923 -23.2355 -58.3923 2.16402 -6.82627 -23.2354 -6.82629 31.6781 GPRESSAVG: 3556800 -31.8737 -56.4873 -25.4654 -58.5312 0.802339 -6.39336 -20.881 -7.54069 32.5383 TIMING: 3556800 CPU: 10645.1, 0.00303135/step Wall: 10645.1, 0.00303135/step, 1.21524 hours remaining, 206.367188 MB of memory in use. ENERGY: 3556800 739.6318 2039.8356 1936.2788 104.5239 -206011.9802 17689.7889 0.0000 0.0000 34304.1894 -149197.7318 299.5870 -183501.9213 -149093.9135 299.0735 -84.8728 -56.3217 558867.3104 0.4375 0.4890 PRESSURE: 3557000 -242.476 -73.4376 24.5894 -73.4386 -195.413 -166.411 24.5891 -166.412 61.7516 GPRESSURE: 3557000 -152.064 -27.1563 4.70916 -84.3459 -149.294 -230.619 126.976 -129.962 35.7164 PRESSAVG: 3557000 40.4201 -50.2078 36.1801 -50.2079 -35.1599 -47.6372 36.1801 -47.6372 27.715 GPRESSAVG: 3557000 40.8172 -47.8454 36.0571 -52.6751 -34.9239 -48.4404 36.5901 -46.2074 27.2275 TIMING: 3557000 CPU: 10645.7, 0.00303118/step Wall: 10645.7, 0.00303118/step, 1.215 hours remaining, 206.367188 MB of memory in use. ENERGY: 3557000 747.1647 2119.4323 1942.6372 130.4060 -206185.4365 17650.2167 0.0000 0.0000 34378.3290 -149217.2506 300.2345 -183595.5796 -149115.7378 299.7551 -125.3790 -88.5472 558197.9233 10.9917 11.0403 PRESSURE: 3557200 -193.541 85.7193 -49.054 85.7188 80.6743 -58.9835 -49.0545 -58.9852 -147.975 GPRESSURE: 3557200 -216.383 107.632 76.7193 0.707746 86.3831 -54.9903 -41.8462 -91.4527 -33.3302 PRESSAVG: 3557200 6.70602 3.33719 27.6741 3.33719 -20.2997 -13.9487 27.6741 -13.9487 -25.2145 GPRESSAVG: 3557200 5.33559 1.83906 29.1039 1.92741 -20.3989 -12.9345 27.5417 -15.154 -24.3335 TIMING: 3557200 CPU: 10646.3, 0.003034/step Wall: 10646.3, 0.003034/step, 1.21596 hours remaining, 206.367188 MB of memory in use. ENERGY: 3557200 759.3882 2100.2170 1939.8025 119.8955 -206367.1735 17796.4411 0.0000 0.0000 34415.0982 -149236.3311 300.5556 -183651.4293 -149127.4923 299.4355 -86.9475 -54.4433 557554.6308 -12.9360 -13.1322 PRESSURE: 3557400 -96.1917 -39.1578 -160.275 -39.158 -17.5125 -11.915 -160.275 -11.9152 -298.738 GPRESSURE: 3557400 -40.2146 -74.5541 -99.3389 33.405 19.133 -68.7646 -92.8144 -5.67355 -293.629 PRESSAVG: 3557400 43.4898 13.6163 -7.21624 13.6162 15.0616 -11.0641 -7.21617 -11.064 -55.2507 GPRESSAVG: 3557400 44.6566 13.4248 -8.3069 15.4113 15.3221 -8.99769 -6.54512 -11.8145 -56.4075 TIMING: 3557400 CPU: 10646.9, 0.00305228/step Wall: 10646.9, 0.00305228/step, 1.22312 hours remaining, 206.367188 MB of memory in use. ENERGY: 3557400 788.5789 2078.0727 1935.8501 108.8030 -206195.5811 17663.2286 0.0000 0.0000 34732.1377 -148888.9103 303.3244 -183621.0479 -148787.0546 299.3101 -137.4807 -104.9034 559105.5040 1.1002 1.1904 PRESSURE: 3557600 191.253 -107.861 63.5657 -107.861 -31.5924 -132.58 63.5668 -132.579 170.406 GPRESSURE: 3557600 200.041 -147.76 107.702 -37.1238 -16.6025 -98.23 49.0439 -81.7188 240.885 PRESSAVG: 3557600 35.4806 -17.2987 2.93925 -17.2987 -26.3202 -2.76666 2.93918 -2.7667 78.5282 GPRESSAVG: 3557600 35.3351 -17.818 3.97557 -17.7012 -27.6406 -3.843 3.08194 -1.61292 79.7189 TIMING: 3557600 CPU: 10647.5, 0.00300497/step Wall: 10647.5, 0.00300497/step, 1.20399 hours remaining, 206.468750 MB of memory in use. ENERGY: 3557600 730.6596 2150.6639 1938.8672 115.4626 -205897.0822 17807.7016 0.0000 0.0000 34296.8107 -148856.9167 299.5226 -183153.7274 -148767.3474 300.6223 110.0220 141.4411 556728.4616 29.2295 29.1378 PRESSURE: 3557800 51.5245 -55.3927 -60.4284 -55.3942 176.211 -34.3408 -60.4283 -34.3391 -103.906 GPRESSURE: 3557800 94.34 -69.8077 -99.2324 -77.5484 172.219 -50.794 -13.1082 21.666 -58.2312 PRESSAVG: 3557800 -15.0755 10.1378 15.0724 10.1379 53.2423 -29.7425 15.0724 -29.7425 -43.484 GPRESSAVG: 3557800 -15.1705 11.7774 15.364 9.23494 54.089 -32.0699 13.9182 -26.6865 -44.3441 TIMING: 3557800 CPU: 10648.1, 0.00303418/step Wall: 10648.1, 0.00303418/step, 1.21552 hours remaining, 206.468750 MB of memory in use. ENERGY: 3557800 735.2289 2102.9956 1949.6523 104.6122 -205977.7575 17829.5432 0.0000 0.0000 34223.4398 -149032.2855 298.8818 -183255.7253 -148936.1990 300.9271 41.2766 69.4425 556775.4954 -1.7724 -1.8086 PRESSURE: 3558000 -124.165 64.5195 180.648 64.5199 129.145 205.2 180.649 205.202 68.915 GPRESSURE: 3558000 -36.0997 50.7462 208.48 105.993 155.866 212.328 130.244 164.188 53.7491 PRESSAVG: 3558000 -19.4601 1.06699 54.2974 1.06697 29.4149 22.1485 54.2974 22.1486 -33.6076 GPRESSAVG: 3558000 -19.8995 0.119769 54.2158 0.368332 29.3548 22.6586 52.5228 20.3496 -32.701 TIMING: 3558000 CPU: 10648.7, 0.0030498/step Wall: 10648.7, 0.0030498/step, 1.22161 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: 3558000 746.9285 2046.3419 1941.1845 115.2777 -206180.6177 17799.2523 0.0000 0.0000 34478.8923 -149052.7405 301.1127 -183531.6328 -148963.5075 299.9459 24.6316 57.8384 557091.6691 -7.8843 -7.7486 PRESSURE: 3558200 67.4206 12.5842 87.5895 12.5865 27.4886 96.5038 87.5894 96.5045 -195.632 GPRESSURE: 3558200 121.252 -14.4792 138.37 66.7772 67.8072 81.8892 86.2147 11.8846 -185.462 PRESSAVG: 3558200 30.7923 -18.8406 57.0538 -18.8406 36.8951 23.7338 57.0539 23.7339 -26.9908 GPRESSAVG: 3558200 31.5717 -21.6708 55.5037 -18.694 36.7448 23.36 58.8311 21.848 -27.5034 TIMING: 3558200 CPU: 10649.3, 0.00302184/step Wall: 10649.3, 0.00302184/step, 1.21025 hours remaining, 206.468750 MB of memory in use. ENERGY: 3558200 753.1403 2091.3573 1955.1297 112.1779 -206450.5254 17975.8536 0.0000 0.0000 34400.1750 -149162.6916 300.4253 -183562.8666 -149064.9578 300.8251 -33.5743 1.1990 556485.6335 13.5656 13.6044 PRESSURE: 3558400 -12.9678 -9.11984 2.05716 -9.11966 -203.257 -83.2392 2.05645 -83.2385 -318.57 GPRESSURE: 3558400 42.3775 -67.75 10.1249 -14.3743 -192.494 -33.6316 32.8204 -66.0388 -283.862 PRESSAVG: 3558400 65.2822 -11.6323 16.9348 -11.6323 16.3639 13.0996 16.9348 13.0997 -9.64267 GPRESSAVG: 3558400 65.0587 -9.0214 18.548 -11.4988 16.0426 15.0504 15.9169 13.9441 -8.9867 TIMING: 3558400 CPU: 10649.9, 0.00299469/step Wall: 10649.9, 0.00299469/step, 1.19921 hours remaining, 206.468750 MB of memory in use. ENERGY: 3558400 768.3627 2097.4815 1915.5280 119.9521 -205878.1566 17503.0772 0.0000 0.0000 34248.9641 -149224.7909 299.1047 -183473.7550 -149124.2220 299.5102 -178.2647 -144.6596 557177.0700 24.0012 24.0382 PRESSURE: 3558600 -56.1384 -83.2041 4.29914 -83.2031 22.4068 8.89681 4.29854 8.89626 -410.658 GPRESSURE: 3558600 -67.8294 19.5655 -21.4936 -46.5786 39.4051 28.2781 -4.49343 28.2097 -317.133 PRESSAVG: 3558600 0.701276 -17.4988 -57.7176 -17.4988 -10.5399 9.11654 -57.7176 9.11649 -6.7 GPRESSAVG: 3558600 0.681847 -17.2483 -59.6151 -18.6635 -10.3373 8.56798 -58.3798 9.9611 -6.83123 TIMING: 3558600 CPU: 10650.5, 0.00302165/step Wall: 10650.5, 0.00302165/step, 1.20983 hours remaining, 206.468750 MB of memory in use. ENERGY: 3558600 762.2752 2093.8901 1911.9634 110.3145 -206234.4335 17705.3185 0.0000 0.0000 34359.9946 -149290.6773 300.0744 -183650.6718 -149196.3787 299.1985 -148.1299 -115.1857 558213.3649 -5.5129 -5.4956 PRESSURE: 3558800 -262.035 142.056 -50.9569 142.055 -362.713 -141.89 -50.9572 -141.889 -187.31 GPRESSURE: 3558800 -260.568 147.827 -76.8001 37.1585 -269.449 -129.08 -82.6448 -84.1163 -189.377 PRESSAVG: 3558800 20.8681 -40.2102 14.5386 -40.2103 -3.04547 3.21703 14.5386 3.21698 -21.0592 GPRESSAVG: 3558800 20.7807 -40.6036 15.235 -38.7367 -2.6627 3.60197 14.5046 2.62702 -21.17 TIMING: 3558800 CPU: 10651.1, 0.00302788/step Wall: 10651.1, 0.00302788/step, 1.21216 hours remaining, 206.468750 MB of memory in use. ENERGY: 3558800 782.6845 2073.7149 1923.9332 115.4185 -205665.9334 17397.8569 0.0000 0.0000 34251.9227 -149120.4027 299.1306 -183372.3254 -149021.7211 299.5884 -270.6861 -239.7979 558238.3435 -1.0789 -1.0173 PRESSURE: 3559000 -2.95797 64.2166 153.765 64.2157 -82.8575 -91.694 153.765 -91.6959 -71.2536 GPRESSURE: 3559000 12.5255 -19.1164 152.056 124.315 -48.4923 -118.934 229.529 -88.1261 -39.3968 PRESSAVG: 3559000 -50.647 -21.243 -30.9713 -21.243 37.8061 37.7941 -30.9713 37.7941 10.6717 GPRESSAVG: 3559000 -49.5868 -22.0044 -29.4536 -21.2219 35.8966 37.6159 -28.9135 39.3727 11.5095 TIMING: 3559000 CPU: 10651.8, 0.0030472/step Wall: 10651.8, 0.0030472/step, 1.21973 hours remaining, 206.468750 MB of memory in use. ENERGY: 3559000 766.4261 2113.4894 1949.2054 102.3483 -206135.8252 17690.6595 0.0000 0.0000 34326.4708 -149187.2257 299.7816 -183513.6965 -149089.0723 299.2672 -52.3564 -25.1212 556157.4646 -0.7231 -0.7269 PRESSURE: 3559200 -56.7434 -118.648 122.579 -118.648 191.947 161.057 122.58 161.056 75.0085 GPRESSURE: 3559200 -17.8302 -206.902 113.131 -47.1042 241.027 73.8296 -2.49534 169.602 78.6057 PRESSAVG: 3559200 40.1537 -39.1716 60.7945 -39.1717 13.8603 27.2194 60.7946 27.2195 2.60988 GPRESSAVG: 3559200 39.6423 -39.1016 57.2647 -40.5666 14.3389 27.3452 59.4084 28.3522 2.14463 TIMING: 3559200 CPU: 10652.4, 0.00307721/step Wall: 10652.4, 0.00307721/step, 1.23157 hours remaining, 206.468750 MB of memory in use. ENERGY: 3559200 755.4643 2067.0695 1945.6278 116.9195 -206527.7892 18173.8984 0.0000 0.0000 34346.9266 -149121.8832 299.9603 -183468.8098 -149026.5158 299.5605 70.0706 100.6007 555970.4407 18.8746 18.7086 PRESSURE: 3559400 23.3054 -45.5202 27.067 -45.5194 -45.0654 -51.4412 27.068 -51.4435 10.9494 GPRESSURE: 3559400 -4.81731 -20.1735 119.379 -29.4291 5.31807 -30.6528 -115.493 -63.3598 86.5889 PRESSAVG: 3559400 18.3734 -29.2776 55.4626 -29.2777 60.5204 73.6132 55.4626 73.6132 -41.9608 GPRESSAVG: 3559400 18.9212 -29.6836 58.7494 -26.6286 61.6508 73.3091 53.5561 71.2529 -42.8525 TIMING: 3559400 CPU: 10653, 0.00305636/step Wall: 10653, 0.00305636/step, 1.22305 hours remaining, 206.468750 MB of memory in use. ENERGY: 3559400 759.5223 2096.1549 1938.6186 109.5010 -205930.4553 17644.6556 0.0000 0.0000 34231.3371 -149150.6658 298.9508 -183382.0029 -149055.4101 299.3753 -3.6035 29.0299 555999.9948 12.3110 12.5731 PRESSURE: 3559600 32.9932 80.9656 104.452 80.9651 -77.8911 79.7834 104.451 79.7836 -33.1283 GPRESSURE: 3559600 -4.03918 115.625 76.5885 130.086 -22.3878 18.2649 139.496 91.2745 50.6105 PRESSAVG: 3559600 58.4119 9.1957 13.436 9.19569 -20.0969 20.0887 13.436 20.0886 2.96226 GPRESSAVG: 3559600 57.5801 9.62324 13.154 8.31141 -20.3654 20.7853 15.8939 19.3229 3.58165 TIMING: 3559600 CPU: 10653.6, 0.0030324/step Wall: 10653.6, 0.0030324/step, 1.2133 hours remaining, 206.468750 MB of memory in use. ENERGY: 3559600 792.0744 2050.0789 1949.7490 115.2043 -206368.7240 17687.3364 0.0000 0.0000 34398.0102 -149376.2708 300.4064 -183774.2810 -149284.5282 299.9642 -26.0087 8.0612 555494.7248 13.7591 13.5988 PRESSURE: 3559800 66.6569 -46.2335 62.6325 -46.2346 13.8646 143.919 62.6327 143.919 15.1073 GPRESSURE: 3559800 119.367 -76.5188 171.935 -49.2058 29.543 149.822 100.801 128.405 46.75 PRESSAVG: 3559800 32.1114 -1.86328 26.8148 -1.86342 -22.3367 -6.33496 26.8149 -6.335 53.427 GPRESSAVG: 3559800 32.5975 -2.05546 26.1525 -3.32366 -22.4375 -4.68465 27.2868 -7.26109 53.4122 TIMING: 3559800 CPU: 10654.2, 0.00306099/step Wall: 10654.2, 0.00306099/step, 1.22457 hours remaining, 206.468750 MB of memory in use. ENERGY: 3559800 805.1739 2061.7210 1936.0470 104.3654 -206293.1827 17895.2235 0.0000 0.0000 33971.3473 -149519.3045 296.6802 -183490.6518 -149435.5286 298.0021 31.8763 65.2200 556541.6412 21.0672 21.1907 PRESSURE: 3560000 -128.469 5.85572 186.277 5.85469 -292.065 7.93759 186.276 7.93763 -132.93 GPRESSURE: 3560000 -50.8041 -0.642161 149.777 -37.4392 -278.462 9.65931 152.816 91.9127 -130.653 PRESSAVG: 3560000 -21.57 -12.0507 -8.92505 -12.0507 -14.1259 4.04224 -8.92512 4.04233 -7.70293 GPRESSAVG: 3560000 -21.334 -12.5268 -8.88694 -12.8139 -14.2864 0.414839 -9.64252 4.9061 -7.82311 TIMING: 3560000 CPU: 10654.8, 0.00305402/step Wall: 10654.8, 0.00305402/step, 1.22161 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: 3560000 766.7259 2106.7774 1939.2957 111.1864 -205711.6324 17467.6629 0.0000 0.0000 34152.2001 -149167.7841 298.2597 -183319.9842 -149070.5962 298.6617 -184.4882 -153.3064 557753.9439 -14.4663 -14.4811 PRESSURE: 3560200 76.3458 -118.592 -44.1181 -118.59 -47.1443 30.4693 -44.1191 30.4687 200.995 GPRESSURE: 3560200 98.1077 -105.461 54.1241 -151.298 36.8223 112.34 -74.2849 -21.3706 197.676 PRESSAVG: 3560200 -5.34865 -17.9285 -9.31663 -17.9286 -26.0367 1.382 -9.31661 1.38205 44.6502 GPRESSAVG: 3560200 -5.63408 -17.2021 -8.84581 -17.781 -26.0797 1.3097 -9.57431 2.49659 44.8801 TIMING: 3560200 CPU: 10655.4, 0.00306221/step Wall: 10655.4, 0.00306221/step, 1.22471 hours remaining, 206.468750 MB of memory in use. ENERGY: 3560200 755.4891 2069.8916 1926.6529 117.7218 -206312.4000 17908.4375 0.0000 0.0000 34317.1904 -149217.0168 299.7006 -183534.2072 -149127.3366 299.3861 76.7321 110.8686 557382.9146 4.4216 4.3888 LDB: ============= START OF LOAD BALANCING ============== 10658.9 LDB: ============== END OF LOAD BALANCING =============== 10658.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10658.9 LDB: ============= START OF LOAD BALANCING ============== 10659.2 LDB: Largest compute 4820 load 0.023521 is 19.9% of average load 0.118178 LDB: Average compute 0.001724 is 1.5% of average load 0.118178 LDB: TIME 10659.2 LOAD: AVG 0.118178 MAX 0.218495 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.766 MB LDB: TIME 10659.2 LOAD: AVG 0.118178 MAX 0.218495 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.836 MB LDB: TIME 10659.2 LOAD: AVG 0.118178 MAX 0.218495 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.836 MB LDB: ============== END OF LOAD BALANCING =============== 10659.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10659.2 PRESSURE: 3560400 35.9216 -7.17289 18.691 -7.17323 2.03745 -38.97 18.6898 -38.9698 -12.472 GPRESSURE: 3560400 100.218 64.7439 -3.21719 -30.2641 -26.1094 77.8764 -9.92281 -51.8139 42.5977 PRESSAVG: 3560400 16.9666 32.7873 2.09456 32.7873 -56.6336 -22.0163 2.09459 -22.0163 -18.731 GPRESSAVG: 3560400 16.9426 30.3441 2.5375 35.8107 -56.0779 -17.3296 1.68557 -23.4172 -19.1323 TIMING: 3560400 CPU: 10656, 0.00311882/step Wall: 10656, 0.00311882/step, 1.24718 hours remaining, 205.937500 MB of memory in use. ENERGY: 3560400 760.2739 2074.1088 1938.1099 98.4865 -206019.0822 17694.2823 0.0000 0.0000 34308.0353 -149145.7855 299.6206 -183453.8209 -149044.3107 298.9333 8.4957 38.9021 557642.2567 -19.4660 -19.4225 PRESSURE: 3560600 -71.2693 109.047 -89.3558 109.047 -286.637 16.1102 -89.3555 16.1094 241.103 GPRESSURE: 3560600 -44.0566 165.887 -1.738 102.555 -245.727 -21.7449 -138.67 28.7173 265.595 PRESSAVG: 3560600 45.559 31.5806 18.9848 31.5805 -64.3537 56.5068 18.9849 56.5066 15.4013 GPRESSAVG: 3560600 45.448 34.5121 18.9546 28.39 -63.2503 53.4269 18.1762 57.7495 14.9522 TIMING: 3560600 CPU: 10656.7, 0.00307488/step Wall: 10656.7, 0.00307488/step, 1.22944 hours remaining, 206.140625 MB of memory in use. ENERGY: 3560600 752.0901 2076.5789 1939.9487 106.6007 -206109.2894 17796.7753 0.0000 0.0000 34315.4701 -149121.8256 299.6855 -183437.2956 -149026.2575 299.1892 -38.9345 -8.0629 556744.7719 -1.1311 -0.9500 PRESSURE: 3560800 85.9154 72.9485 188.904 72.948 -223.536 -47.7247 188.904 -47.7247 254.06 GPRESSURE: 3560800 155.441 93.6282 197.912 -10.0455 -187.736 -25.1862 166.634 3.25873 248.077 PRESSAVG: 3560800 21.6923 -16.9637 -5.26736 -16.9637 -36.4263 30.2104 -5.26745 30.2104 31.4983 GPRESSAVG: 3560800 21.4294 -17.5006 -5.1846 -15.8348 -37.1103 28.9212 -3.814 30.8838 32.7545 TIMING: 3560800 CPU: 10657.3, 0.00305848/step Wall: 10657.3, 0.00305848/step, 1.22271 hours remaining, 206.140625 MB of memory in use. ENERGY: 3560800 743.5189 2076.0688 1951.9443 110.2933 -206249.5606 17947.9475 0.0000 0.0000 34244.4565 -149175.3312 299.0654 -183419.7877 -149077.0267 299.8041 38.8134 71.9272 558170.3260 5.5881 5.6912 PRESSURE: 3561000 71.6636 17.1347 -97.5074 17.1361 -72.7658 -191.636 -97.5069 -191.636 39.7716 GPRESSURE: 3561000 150.969 38.5767 -20.8775 1.37063 -53.04 -213.998 -110.118 -95.7822 49.0418 PRESSAVG: 3561000 -0.557721 7.88631 50.3938 7.8863 -57.6113 -22.787 50.3938 -22.787 67.5229 GPRESSAVG: 3561000 0.274032 7.24069 49.7289 7.93416 -57.5297 -21.0485 49.6262 -22.3368 66.8954 TIMING: 3561000 CPU: 10657.9, 0.00307956/step Wall: 10657.9, 0.00307956/step, 1.23097 hours remaining, 206.140625 MB of memory in use. ENERGY: 3561000 752.3590 2100.9666 1924.8582 99.3409 -206396.3759 17913.7657 0.0000 0.0000 34453.7754 -149151.3101 300.8934 -183605.0855 -149057.6660 298.5028 12.8898 48.9904 557339.2280 3.1180 3.2132 PRESSURE: 3561200 -352.864 23.8275 2.89951 23.8276 -310.974 -31.6102 2.89866 -31.6096 50.7778 GPRESSURE: 3561200 -323.884 -7.36267 3.61309 32.3674 -200.379 -15.3672 18.9411 27.3327 11.4324 PRESSAVG: 3561200 13.3112 -20.1359 15.8982 -20.1358 -4.6771 -7.21234 15.8981 -7.21232 53.9864 GPRESSAVG: 3561200 13.2201 -21.0801 16.0389 -18.4441 -4.80133 -7.71227 16.2475 -9.15715 53.6134 TIMING: 3561200 CPU: 10658.5, 0.00305398/step Wall: 10658.5, 0.00305398/step, 1.22057 hours remaining, 206.140625 MB of memory in use. ENERGY: 3561200 796.2077 2060.2792 1915.3985 101.1334 -206088.0459 17677.3682 0.0000 0.0000 34298.1978 -149239.4610 299.5347 -183537.6588 -149144.3739 299.8136 -204.3534 -170.9435 557939.5377 20.8735 20.6774 PRESSURE: 3561400 14.64 166.937 20.844 166.938 -98.1019 16.4542 20.8461 16.4536 -94.7338 GPRESSURE: 3561400 30.1465 132.895 -7.54842 170.663 -63.0027 2.41307 141.799 22.3024 -40.9203 PRESSAVG: 3561400 18.1872 -13.4332 -44.7028 -13.4332 -64.1527 13.463 -44.7028 13.463 2.95067 GPRESSAVG: 3561400 18.5406 -13.9297 -45.9213 -14.9318 -66.0924 10.4441 -42.7946 13.8719 4.16652 TIMING: 3561400 CPU: 10659.1, 0.00307383/step Wall: 10659.1, 0.00307383/step, 1.22834 hours remaining, 206.140625 MB of memory in use. ENERGY: 3561400 717.9350 2076.1240 1962.5932 125.8314 -205845.7573 17800.3053 0.0000 0.0000 34040.6250 -149122.3436 297.2852 -183162.9685 -149026.5134 298.9861 -59.3986 -24.5922 559202.0830 -14.3383 -14.4618 PRESSURE: 3561600 -76.9651 -16.7052 -127.54 -16.7059 -224.347 -43.2521 -127.54 -43.2516 -71.6963 GPRESSURE: 3561600 -68.7901 -35.8157 -182.01 47.7683 -151.961 -24.9131 -88.4619 17.2053 -51.2919 PRESSAVG: 3561600 40.0442 1.30931 -25.7985 1.30942 -44.1724 55.0028 -25.7986 55.0027 5.89451 GPRESSAVG: 3561600 39.2049 2.28136 -26.0785 0.498902 -44.0053 56.837 -26.9349 54.7397 6.50097 TIMING: 3561600 CPU: 10659.7, 0.00309147/step Wall: 10659.7, 0.00309147/step, 1.23522 hours remaining, 206.140625 MB of memory in use. ENERGY: 3561600 767.8782 2029.4263 1923.6009 125.9341 -206276.3652 17759.1234 0.0000 0.0000 34367.2721 -149303.1301 300.1379 -183670.4022 -149201.8088 299.5666 -124.3363 -90.6808 557743.0375 0.5887 0.5668 PRESSURE: 3561800 116.676 -121.068 122.637 -121.067 -67.7742 58.0866 122.639 58.0859 57.5504 GPRESSURE: 3561800 151.634 -153.461 56.8971 -21.1703 -27.941 59.5991 210.46 -7.15671 88.5424 PRESSAVG: 3561800 17.6765 -12.0157 32.4257 -12.0158 -8.3523 -70.9028 32.4256 -70.9028 -10.1812 GPRESSAVG: 3561800 17.3449 -11.7997 31.898 -11.7496 -6.80347 -69.8428 33.27 -70.6299 -11.25 TIMING: 3561800 CPU: 10660.3, 0.00307906/step Wall: 10660.3, 0.00307906/step, 1.23008 hours remaining, 206.140625 MB of memory in use. ENERGY: 3561800 772.7808 2023.7840 1926.5740 120.0265 -206101.4153 17810.9837 0.0000 0.0000 34237.8821 -149209.3843 299.0079 -183447.2664 -149110.5815 298.4883 35.4842 70.7451 555673.4880 -0.2857 -0.2362 PRESSURE: 3562000 -68.572 -62.9129 -105.644 -62.914 -100.499 -79.9834 -105.644 -79.9844 -299.573 GPRESSURE: 3562000 -29.2803 -82.1446 -202.235 13.5218 -54.0461 -56.0354 -109.963 -30.6341 -288.095 PRESSAVG: 3562000 10.7985 18.6072 -8.04915 18.6072 32.8635 -24.9208 -8.04919 -24.9209 4.86677 GPRESSAVG: 3562000 10.3738 20.2368 -6.79868 17.4038 32.8272 -24.3378 -8.52115 -24.7382 5.46855 TIMING: 3562000 CPU: 10661, 0.003063/step Wall: 10661, 0.003063/step, 1.2235 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: 3562000 729.3756 2118.2156 1903.7348 106.0168 -206017.3217 17592.6240 0.0000 0.0000 34294.5748 -149272.7801 299.5031 -183567.3549 -149172.7506 299.2293 -156.2149 -123.8071 558310.7364 16.1763 16.2232 PRESSURE: 3562200 -90.5461 86.1818 40.2001 86.1815 -194.719 -5.19356 40.2005 -5.19405 -143.288 GPRESSURE: 3562200 -123.859 207.243 -12.31 36.2019 -79.2179 -40.2961 102.881 -23.9209 -125.153 PRESSAVG: 3562200 14.0027 12.3779 29.6126 12.3779 -1.61909 -65.5805 29.6126 -65.5807 1.0376 GPRESSAVG: 3562200 13.9585 10.4436 31.3332 14.0052 -0.41311 -65.2938 26.5435 -66.0096 0.554662 TIMING: 3562200 CPU: 10661.6, 0.00305633/step Wall: 10661.6, 0.00305633/step, 1.22066 hours remaining, 206.140625 MB of memory in use. ENERGY: 3562200 760.8251 2107.7379 1928.6065 114.1363 -206176.0011 17739.1032 0.0000 0.0000 34317.4697 -149208.1224 299.7030 -183525.5922 -149103.7021 299.1702 -142.8509 -109.4100 557736.9968 4.4737 4.7000 PRESSURE: 3562400 -3.89573 -105.757 105.017 -105.756 372.015 77.5535 105.016 77.5538 127.602 GPRESSURE: 3562400 23.3571 -153.858 109.514 66.9129 416.059 124.968 135.516 53.2952 142.985 PRESSAVG: 3562400 -32.527 -15.7291 -16.2763 -15.729 81.8377 27.7419 -16.2763 27.7419 -22.7687 GPRESSAVG: 3562400 -32.0697 -13.8232 -16.915 -16.5974 81.6689 26.0143 -13.3209 27.8982 -23.0044 TIMING: 3562400 CPU: 10662.2, 0.00302509/step Wall: 10662.2, 0.00302509/step, 1.20802 hours remaining, 206.140625 MB of memory in use. ENERGY: 3562400 727.2124 2075.1527 1945.3623 123.5879 -206612.9318 18087.2343 0.0000 0.0000 34343.9029 -149310.4794 299.9338 -183654.3823 -149215.2575 299.1156 165.2405 194.1335 556663.7004 8.8473 8.8649 PRESSURE: 3562600 71.8457 -66.4988 29.5584 -66.4981 81.9977 -4.82191 29.5594 -4.82178 -53.3912 GPRESSURE: 3562600 96.4966 -57.4824 14.5826 -73.1344 59.4108 48.7017 43.3039 -73.9053 48.3157 PRESSAVG: 3562600 -32.5183 -11.8949 5.01552 -11.8949 74.7842 5.24773 5.01552 5.2478 0.977688 GPRESSAVG: 3562600 -32.5073 -14.3403 3.34818 -11.6434 74.2461 4.19741 3.48513 7.32051 1.85755 TIMING: 3562600 CPU: 10662.8, 0.00303195/step Wall: 10662.8, 0.00303195/step, 1.21059 hours remaining, 206.140625 MB of memory in use. ENERGY: 3562600 725.0588 2137.1039 1936.7157 112.8874 -206414.4135 17860.7776 0.0000 0.0000 34246.5282 -149395.3419 299.0834 -183641.8701 -149303.1105 298.4538 33.4841 68.0744 557277.3696 14.4145 14.5321 PRESSURE: 3562800 -66.6699 -10.94 20.2971 -10.9389 -2.59699 20.624 20.2973 20.6236 -183.109 GPRESSURE: 3562800 -17.3397 -70.8904 -104.641 -30.4201 35.5698 35.7693 54.2138 24.4376 -173.822 PRESSAVG: 3562800 10.3476 39.3031 23.1484 39.303 59.0714 37.3164 23.1485 37.3163 -52.8847 GPRESSAVG: 3562800 10.2086 41.7199 23.5011 38.9394 58.5669 39.713 24.224 36.4637 -51.9743 TIMING: 3562800 CPU: 10663.4, 0.0030337/step Wall: 10663.4, 0.0030337/step, 1.21112 hours remaining, 206.140625 MB of memory in use. ENERGY: 3562800 769.4777 2101.5229 1929.1400 123.1490 -206720.4578 17874.0871 0.0000 0.0000 34387.6831 -149535.3980 300.3162 -183923.0811 -149445.2348 298.5647 -84.1252 -51.8640 557198.0412 5.5114 5.6004 PRESSURE: 3563000 -18.8628 56.9182 -127.615 56.919 -130.683 -4.57412 -127.614 -4.57512 59.9415 GPRESSURE: 3563000 11.156 80.9459 -131.242 33.0941 -52.9388 57.3986 -174.346 -59.7883 43.1212 PRESSAVG: 3563000 -39.8994 57.729 -39.8349 57.7291 93.3483 -35.2748 -39.8349 -35.2749 -48.8161 GPRESSAVG: 3563000 -39.7977 57.0787 -40.2861 58.7745 93.1481 -36.7844 -40.2027 -35.6934 -48.8614 TIMING: 3563000 CPU: 10664, 0.0030421/step Wall: 10664, 0.0030421/step, 1.2143 hours remaining, 206.140625 MB of memory in use. ENERGY: 3563000 779.5022 2090.6583 1928.1185 116.5031 -206649.4512 17975.3279 0.0000 0.0000 34291.0086 -149468.3327 299.4719 -183759.3413 -149361.9645 299.1217 -29.8680 0.4461 557717.7077 1.5442 1.4963 PRESSURE: 3563200 7.58272 81.104 -111.476 81.1035 -110.04 -9.05964 -111.476 -9.05851 -113.096 GPRESSURE: 3563200 -15.6246 13.6027 -85.2457 129.51 -29.8777 69.5844 -129.583 -76.521 -76.0989 PRESSAVG: 3563200 3.7097 22.9773 -63.1832 22.9773 39.8424 37.4809 -63.1831 37.4809 -39.5576 GPRESSAVG: 3563200 2.60492 21.9047 -61.9781 22.6899 40.3492 38.6965 -63.4745 36.7132 -39.07 TIMING: 3563200 CPU: 10664.6, 0.00306222/step Wall: 10664.6, 0.00306222/step, 1.22217 hours remaining, 206.140625 MB of memory in use. ENERGY: 3563200 786.1163 2121.5639 1951.1954 119.4473 -206502.5039 17854.6976 0.0000 0.0000 34256.5901 -149412.8932 299.1713 -183669.4833 -149322.1461 298.7476 -71.8511 -40.5337 559423.2390 1.3315 1.2947 PRESSURE: 3563400 -159.901 1.42202 -70.4224 1.42275 -185.056 93.5924 -70.4228 93.5935 -233.205 GPRESSURE: 3563400 -92.3168 -24.9728 -167.163 -76.7269 -214.033 101.668 -118.141 87.1696 -169.274 PRESSAVG: 3563400 5.38052 2.99245 -27.56 2.99251 -54.3369 44.9085 -27.56 44.9086 28.9314 GPRESSAVG: 3563400 6.89006 4.31963 -29.8136 3.6046 -53.6824 45.4667 -26.3192 42.948 27.0272 TIMING: 3563400 CPU: 10665.2, 0.00305744/step Wall: 10665.2, 0.00305744/step, 1.22009 hours remaining, 206.140625 MB of memory in use. ENERGY: 3563400 736.6786 2048.7907 1963.7102 104.1714 -205974.2088 17629.7729 0.0000 0.0000 34231.1017 -149259.9834 298.9487 -183491.0851 -149157.3556 298.5212 -192.7206 -158.5413 559556.7907 -6.6750 -6.5884 PRESSURE: 3563600 -63.2276 -18.5137 -9.52544 -18.5147 6.60165 31.2236 -9.52667 31.223 -5.44813 GPRESSURE: 3563600 2.75079 -8.70582 75.9821 -53.7107 33.8053 31.3868 -60.876 -85.8385 1.89675 PRESSAVG: 3563600 -13.9614 -14.4915 27.6337 -14.4914 -49.1642 23.3881 27.6337 23.388 55.7723 GPRESSAVG: 3563600 -14.5024 -15.7991 29.4943 -14.4834 -48.7042 24.7234 27.366 22.5531 56.4325 TIMING: 3563600 CPU: 10665.8, 0.00303575/step Wall: 10665.8, 0.00303575/step, 1.21126 hours remaining, 206.140625 MB of memory in use. ENERGY: 3563600 723.3525 2070.5034 1964.5986 119.7846 -206602.1623 17974.9264 0.0000 0.0000 34311.3474 -149437.6494 299.6495 -183748.9968 -149336.4137 298.4797 -20.6913 12.8176 559270.1534 -2.4511 -2.2580 PRESSURE: 3563800 56.8131 61.2226 -135.028 61.2227 -140.314 97.4753 -135.027 97.4756 -63.8911 GPRESSURE: 3563800 35.5427 48.3212 -93.5095 41.8737 -41.8973 113.238 -162.864 59.2142 -40.072 PRESSAVG: 3563800 28.4009 15.7884 -23.951 15.7884 16.2588 22.8805 -23.951 22.8806 -67.6889 GPRESSAVG: 3563800 28.6185 15.3242 -26.9095 16.529 15.6096 20.5471 -22.375 24.8946 -67.3184 TIMING: 3563800 CPU: 10666.4, 0.00301912/step Wall: 10666.4, 0.00301912/step, 1.20446 hours remaining, 206.140625 MB of memory in use. ENERGY: 3563800 777.5966 2131.2840 1949.4642 134.0373 -206668.6934 18210.1183 0.0000 0.0000 34144.2220 -149321.9710 298.1900 -183466.1930 -149231.1714 298.9850 -49.1307 -15.4755 559692.5304 -7.6764 -7.6968 PRESSURE: 3564000 -169.138 -48.2555 39.8201 -48.2541 -201.817 69.5691 39.8198 69.5697 -73.8696 GPRESSURE: 3564000 -187.309 -56.6336 27.7246 4.7178 -109.757 148.992 82.4216 67.5184 -54.3083 PRESSAVG: 3564000 -19.1857 -36.4265 -28.4058 -36.4265 49.618 20.0457 -28.4059 20.0457 -22.7868 GPRESSAVG: 3564000 -19.9717 -36.4275 -26.0297 -37.1125 49.9938 20.0016 -30.6947 20.5205 -22.097 TIMING: 3564000 CPU: 10667, 0.00301679/step Wall: 10667, 0.00301678/step, 1.20336 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: 3564000 744.0319 2130.1349 1958.3618 112.7524 -206043.1051 17741.9265 0.0000 0.0000 34189.8605 -149166.0371 298.5886 -183355.8976 -149073.7069 298.5191 -148.2749 -117.1251 560064.6227 2.5485 2.6417 PRESSURE: 3564200 -369.037 -38.5697 123.115 -38.5696 -180.026 154.486 123.115 154.488 -139.773 GPRESSURE: 3564200 -333.004 -42.3029 69.0797 -86.1243 -179.634 191.343 140.693 124.426 -79.3492 PRESSAVG: 3564200 -3.31063 -31.866 75.058 -31.8659 11.1704 -6.76813 75.058 -6.76808 -19.7953 GPRESSAVG: 3564200 -3.03027 -31.1191 75.6663 -33.8375 11.1376 -7.44938 75.351 -6.32867 -20.8041 TIMING: 3564200 CPU: 10667.6, 0.00303598/step Wall: 10667.6, 0.00303598/step, 1.21085 hours remaining, 206.140625 MB of memory in use. ENERGY: 3564200 773.1674 2084.8370 1930.4801 105.0898 -206181.4811 17806.7427 0.0000 0.0000 34267.3357 -149213.8284 299.2652 -183481.1641 -149120.0983 299.8995 -229.6118 -197.3292 559820.2127 -3.9785 -4.2323 LDB: ============= START OF LOAD BALANCING ============== 10671.1 LDB: ============== END OF LOAD BALANCING =============== 10671.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10671.1 LDB: ============= START OF LOAD BALANCING ============== 10671.4 LDB: Largest compute 4820 load 0.022113 is 18.7% of average load 0.118184 LDB: Average compute 0.001715 is 1.5% of average load 0.118184 LDB: TIME 10671.4 LOAD: AVG 0.118184 MAX 0.223877 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.668 MB LDB: TIME 10671.4 LOAD: AVG 0.118184 MAX 0.223877 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.676 MB LDB: TIME 10671.4 LOAD: AVG 0.118184 MAX 0.223877 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.676 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10671.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10671.4 PRESSURE: 3564400 -65.4951 80.1389 -11.7771 80.1395 113.958 52.9454 -11.7761 52.9455 -240.264 GPRESSURE: 3564400 -64.2475 163.044 -48.1409 48.0884 113.075 58.582 44.1992 87.4027 -144.363 PRESSAVG: 3564400 4.85963 9.23169 39.3187 9.23172 25.1071 -5.70815 39.3187 -5.70806 -39.5365 GPRESSAVG: 3564400 4.74543 9.8576 39.4314 8.39611 24.4639 -4.63681 39.9601 -6.90441 -38.6312 TIMING: 3564400 CPU: 10668.3, 0.00314714/step Wall: 10668.3, 0.00314714/step, 1.25501 hours remaining, 206.453125 MB of memory in use. ENERGY: 3564400 821.7911 2102.9361 1960.6858 106.9876 -206769.5386 18064.4099 0.0000 0.0000 34273.2448 -149439.4833 299.3168 -183712.7282 -149344.2560 299.7630 -63.9337 -31.8452 557417.4950 -3.1899 -3.1406 PRESSURE: 3564600 -5.04185 -164.474 -103.364 -164.475 82.0918 -95.3493 -103.362 -95.349 32.5204 GPRESSURE: 3564600 29.8313 -172.226 -95.8946 -125.233 106.078 -159.767 -81.221 -77.4133 60.748 PRESSAVG: 3564600 53.4618 -4.96954 29.4047 -4.96954 7.25471 -5.34466 29.4047 -5.34466 -52.8643 GPRESSAVG: 3564600 53.6238 -4.9253 29.7343 -2.57527 7.34536 -5.79753 28.6468 -4.89895 -52.7212 TIMING: 3564600 CPU: 10668.9, 0.00307184/step Wall: 10668.9, 0.00307184/step, 1.22481 hours remaining, 206.453125 MB of memory in use. ENERGY: 3564600 730.0796 2055.5213 1944.1057 112.1954 -206295.5705 17636.8176 0.0000 0.0000 34418.7720 -149398.0790 300.5877 -183816.8510 -149308.3787 299.1983 36.5235 65.5526 557318.4724 2.6174 2.7493 PRESSURE: 3564800 -144.962 -97.2234 -28.1329 -97.2227 69.1795 4.87419 -28.1339 4.87475 -254.05 GPRESSURE: 3564800 -96.6297 -104.438 -21.3268 -45.8523 80.6324 60.8825 -38.4354 27.5633 -208.94 PRESSAVG: 3564800 -19.6948 23.2652 5.80171 23.2652 13.1367 29.1236 5.80169 29.1236 -1.92164 GPRESSAVG: 3564800 -18.6973 22.6461 5.08713 24.4116 13.1869 30.8523 5.21525 28.3345 -2.88707 TIMING: 3564800 CPU: 10669.5, 0.00310138/step Wall: 10669.5, 0.00310138/step, 1.23642 hours remaining, 206.453125 MB of memory in use. ENERGY: 3564800 745.9395 2005.1852 1951.2244 109.2442 -206029.8616 17630.0495 0.0000 0.0000 34144.3534 -149443.8653 298.1911 -183588.2188 -149341.3377 298.8765 -109.9442 -74.9791 558264.5985 -2.8266 -2.7992 PRESSURE: 3565000 71.8457 -193.038 -0.472536 -193.037 40.4146 -171.406 -0.471251 -171.405 182.499 GPRESSURE: 3565000 114.029 -153.53 -14.2333 -301.224 84.5295 -198.197 61.918 -125.078 198.946 PRESSAVG: 3565000 -0.340832 -13.3343 -1.43479 -13.3342 -20.9993 32.7502 -1.43473 32.75 8.15078 GPRESSAVG: 3565000 0.726179 -12.7982 -2.87582 -15.1434 -22.1438 32.9641 -0.839665 33.5582 7.83385 TIMING: 3565000 CPU: 10670.1, 0.00308529/step Wall: 10670.1, 0.00308529/step, 1.22983 hours remaining, 206.453125 MB of memory in use. ENERGY: 3565000 728.4047 2109.7327 1967.3531 111.6999 -206619.3888 18004.1148 0.0000 0.0000 34126.8480 -149571.2357 298.0383 -183698.0837 -149477.2145 298.4322 98.2531 132.5017 555104.3392 -4.3965 -4.5279 PRESSURE: 3565200 -158.86 126.952 111.942 126.953 -331.445 142.455 111.942 142.456 -55.4328 GPRESSURE: 3565200 -143.854 54.8411 61.3744 63.4198 -312.321 116.259 169.479 131.462 -0.24055 PRESSAVG: 3565200 86.2864 -22.0645 16.302 -22.0644 -21.6006 1.90095 16.302 1.90106 -67.8451 GPRESSAVG: 3565200 84.0852 -21.634 16.7813 -22.1952 -20.1107 2.37296 14.7917 0.16536 -67.1957 TIMING: 3565200 CPU: 10670.7, 0.00306244/step Wall: 10670.7, 0.00306244/step, 1.22055 hours remaining, 206.453125 MB of memory in use. ENERGY: 3565200 761.2510 2105.2122 1922.9686 112.4413 -206410.8202 17650.9734 0.0000 0.0000 34342.5791 -149515.3945 299.9223 -183857.9736 -149414.0075 298.2415 -181.9124 -152.1387 557612.6833 -1.0531 -1.0738 PRESSURE: 3565400 -147.702 22.8383 -45.184 22.8385 36.9462 105.732 -45.1831 105.731 -178.916 GPRESSURE: 3565400 -74.5177 -27.7416 0.585514 80.9973 51.9479 129.686 -94.2832 99.6548 -163.151 PRESSAVG: 3565400 32.5525 -13.0483 -14.4476 -13.0483 -49.6138 56.2503 -14.4476 56.2503 -28.605 GPRESSAVG: 3565400 34.3194 -12.418 -13.5375 -11.9259 -50.1664 54.0058 -13.7809 59.5868 -30.4306 TIMING: 3565400 CPU: 10671.3, 0.00302209/step Wall: 10671.3, 0.00302209/step, 1.2043 hours remaining, 206.453125 MB of memory in use. ENERGY: 3565400 772.2506 2074.5294 1936.4644 124.8370 -205801.8121 17515.3972 0.0000 0.0000 33971.8432 -149406.4902 296.6846 -183378.3335 -149315.4764 298.9439 -96.5573 -61.9070 557369.4846 -15.2221 -15.4259 PRESSURE: 3565600 -28.0422 -33.6668 -113.371 -33.6671 34.7244 153.034 -113.373 153.033 -249.201 GPRESSURE: 3565600 21.9335 8.37189 -170.522 -45.4407 59.4655 122.813 -126.266 169.017 -221.887 PRESSAVG: 3565600 6.47449 12.7846 -5.81528 12.7846 31.2917 35.6732 -5.81526 35.6732 -51.4013 GPRESSAVG: 3565600 5.84873 11.3826 -8.87131 11.2122 30.2317 36.2827 -3.77398 32.9038 -49.3924 TIMING: 3565600 CPU: 10671.9, 0.00301644/step Wall: 10671.9, 0.00301644/step, 1.20188 hours remaining, 206.453125 MB of memory in use. ENERGY: 3565600 743.5256 2090.5341 1909.7468 98.5629 -206406.8945 17811.0324 0.0000 0.0000 34313.0701 -149440.4226 299.6646 -183753.4927 -149343.0698 298.9515 -80.8395 -46.8293 557500.6277 -4.5450 -4.4373 PRESSURE: 3565800 -273.809 -31.2169 246.668 -31.2163 -268.747 51.0557 246.668 51.057 -233.835 GPRESSURE: 3565800 -272.815 -9.2754 175.027 -55.9233 -247.331 129.654 305.307 59.3664 -164.901 PRESSAVG: 3565800 30.4541 -56.1922 -20.9046 -56.1921 101.718 19.2715 -20.9046 19.2714 -85.8716 GPRESSAVG: 3565800 31.2705 -55.8083 -19.6545 -55.9124 102.281 20.4327 -21.0872 19.7782 -87.5057 TIMING: 3565800 CPU: 10672.5, 0.0030246/step Wall: 10672.5, 0.0030246/step, 1.20497 hours remaining, 206.453125 MB of memory in use. ENERGY: 3565800 710.7313 2083.7995 1949.6141 113.8650 -205811.7954 17413.2592 0.0000 0.0000 34142.3726 -149398.1538 298.1738 -183540.5264 -149305.0974 298.9129 -258.7967 -228.3487 558750.4408 15.4334 15.3486 PRESSURE: 3566000 -5.89376 41.8853 -14.5706 41.8854 -191.299 -32.3719 -14.5699 -32.3702 -197.288 GPRESSURE: 3566000 85.8055 109.334 -38.3573 8.87306 -192.079 -120.095 58.6784 -26.575 -176.481 PRESSAVG: 3566000 -12.7816 18.5388 38.2876 18.5389 0.412012 64.199 38.2877 64.199 -24.5206 GPRESSAVG: 3566000 -14.2973 18.9341 39.7812 20.4108 0.824255 64.4597 38.3442 65.3238 -22.8955 TIMING: 3566000 CPU: 10673.2, 0.00302986/step Wall: 10673.2, 0.00302986/step, 1.20689 hours remaining, 206.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3566000 752.7920 2039.5784 1954.0588 121.1390 -205715.3854 17470.9654 0.0000 0.0000 34166.9200 -149209.9319 298.3882 -183376.8518 -149105.7181 298.6724 -131.4938 -94.2512 557422.9334 -12.2967 -12.1229 PRESSURE: 3566200 56.4219 -95.8809 -77.3955 -95.8816 -183.861 78.17 -77.3954 78.1714 -159.242 GPRESSURE: 3566200 82.9884 -55.0317 -99.8139 -138.71 -108.085 67.835 -48.3966 132.923 -175.011 PRESSAVG: 3566200 -8.02597 5.45861 -47.6423 5.45851 49.1175 41.4738 -47.6422 41.4738 -32.2868 GPRESSAVG: 3566200 -7.66274 4.34254 -48.6842 5.02642 48.3456 42.1563 -48.7273 40.4814 -31.8713 TIMING: 3566200 CPU: 10673.8, 0.00305995/step Wall: 10673.8, 0.00305995/step, 1.21871 hours remaining, 206.453125 MB of memory in use. ENERGY: 3566200 723.5232 2108.1774 1924.7050 113.3253 -205853.9027 17579.2247 0.0000 0.0000 34099.6630 -149305.2840 297.8008 -183404.9471 -149218.4104 299.2757 -95.5605 -66.7026 557966.9009 2.9349 2.9372 PRESSURE: 3566400 -360.562 -46.9468 147.879 -46.9474 -232.027 -10.8125 147.88 -10.8122 -87.3847 GPRESSURE: 3566400 -342.751 -92.3741 196.783 -72.9624 -213.951 -44.9575 125.21 -8.6563 -16.6293 PRESSAVG: 3566400 -65.5668 23.0922 13.3082 23.0922 19.174 -25.8916 13.3081 -25.8915 33.5147 GPRESSAVG: 3566400 -65.1987 22.6461 15.4572 23.6159 19.5226 -26.3889 13.8989 -26.2453 32.8139 TIMING: 3566400 CPU: 10674.4, 0.00307221/step Wall: 10674.4, 0.00307221/step, 1.22342 hours remaining, 206.453125 MB of memory in use. ENERGY: 3566400 730.9218 2108.7759 1930.6811 110.1285 -206064.3023 17533.3014 0.0000 0.0000 34355.1884 -149295.3053 300.0324 -183650.4937 -149195.6658 299.3724 -226.6580 -191.1105 558079.5264 -4.2927 -4.2874 PRESSURE: 3566600 -166.991 43.2826 -140.64 43.2831 15.5229 7.02081 -140.64 7.02044 -184.428 GPRESSURE: 3566600 -244.133 18.7519 -104.56 64.7513 108.091 -7.80133 -184.821 32.1086 -118.546 PRESSAVG: 3566600 -53.5566 -12.0878 -15.5934 -12.0877 63.6933 -13.001 -15.5934 -13.001 -0.321472 GPRESSAVG: 3566600 -54.3558 -11.0578 -17.4172 -13.861 64.5507 -12.5051 -13.9112 -11.5632 0.156971 TIMING: 3566600 CPU: 10675, 0.00305973/step Wall: 10675, 0.00305973/step, 1.21828 hours remaining, 206.453125 MB of memory in use. ENERGY: 3566600 747.1557 2083.3380 1957.2849 115.9846 -206018.7372 17644.9830 0.0000 0.0000 34191.4230 -149278.5680 298.6022 -183469.9910 -149187.1386 298.9863 -111.9652 -84.8625 560183.6166 3.2717 3.4506 PRESSURE: 3566800 -97.2677 -138.318 -66.652 -138.316 -78.6331 -158.553 -66.6509 -158.552 -177.461 GPRESSURE: 3566800 -92.3368 -48.0001 24.6411 -186.208 -47.3485 -90.3015 -79.7688 -144.157 -123.467 PRESSAVG: 3566800 -11.2557 -18.1067 -40.4374 -18.1066 58.047 -29.1774 -40.4374 -29.1774 -74.518 GPRESSAVG: 3566800 -10.3716 -16.7222 -39.202 -17.7813 57.3568 -30.9911 -41.9087 -30.8825 -74.5497 TIMING: 3566800 CPU: 10675.6, 0.00307702/step Wall: 10675.6, 0.00307702/step, 1.22499 hours remaining, 206.453125 MB of memory in use. ENERGY: 3566800 740.9683 2051.3203 1927.9098 104.6449 -206177.9245 17548.8061 0.0000 0.0000 34355.5736 -149448.7015 300.0358 -183804.2751 -149346.6531 299.0622 -117.7873 -87.7174 558711.1712 -9.2422 -9.1882 PRESSURE: 3567000 -51.8168 33.4163 -16.4356 33.416 -171.677 -152.368 -16.4351 -152.368 -115.957 GPRESSURE: 3567000 -16.2117 -32.5902 28.7582 60.6271 -130.256 -100.826 -60.9242 -171.949 -101.719 PRESSAVG: 3567000 24.2319 -49.2419 -38.2941 -49.2419 1.68911 -33.6314 -38.2941 -33.6313 15.2521 GPRESSAVG: 3567000 24.8694 -49.5687 -37.7672 -52.4027 2.12134 -32.32 -36.4935 -32.5143 14.5514 TIMING: 3567000 CPU: 10676.2, 0.00306019/step Wall: 10676.2, 0.00306019/step, 1.21813 hours remaining, 206.453125 MB of memory in use. ENERGY: 3567000 727.2571 2086.7045 1951.9875 114.1440 -206343.8353 17723.7960 0.0000 0.0000 34335.1056 -149404.8407 299.8570 -183739.9463 -149303.1572 298.9359 -113.1504 -82.7288 558892.9413 13.7244 13.8474 PRESSURE: 3567200 194.06 -126.667 -2.1276 -126.669 191.818 -113.003 -2.12652 -113.003 174.173 GPRESSURE: 3567200 212.659 -77.9002 -58.3571 -179.848 255.396 -177.251 17.7247 14.2732 191.471 PRESSAVG: 3567200 8.5134 -47.0389 31.0799 -47.039 15.7903 -21.1464 31.0799 -21.1464 32.9939 GPRESSAVG: 3567200 9.35436 -50.2636 30.3613 -42.5605 13.7131 -24.0312 27.0934 -19.2789 33.8654 TIMING: 3567200 CPU: 10676.8, 0.00304972/step Wall: 10676.8, 0.00304972/step, 1.21379 hours remaining, 206.453125 MB of memory in use. ENERGY: 3567200 673.1140 2066.7983 1955.3576 107.0290 -206184.0883 18017.6917 0.0000 0.0000 34085.1082 -149278.9897 297.6737 -183364.0979 -149188.3832 298.6820 186.6837 219.8420 558950.6609 19.0992 18.9776 PRESSURE: 3567400 -310.493 78.4203 -119.335 78.4203 -33.8627 113.956 -119.335 113.956 -211.65 GPRESSURE: 3567400 -279.026 146.545 -56.1258 66.425 -0.156127 136.738 -117.261 107.25 -181.166 PRESSAVG: 3567400 24.2286 -40.1435 -20.464 -40.1435 -52.1231 66.0838 -20.464 66.0836 19.5177 GPRESSAVG: 3567400 23.0293 -37.1193 -18.8331 -40.3588 -50.0709 69.2412 -18.5004 65.2988 18.7827 TIMING: 3567400 CPU: 10677.4, 0.00304822/step Wall: 10677.4, 0.00304822/step, 1.21302 hours remaining, 206.453125 MB of memory in use. ENERGY: 3567400 761.6417 2065.0569 1936.1142 111.4692 -205850.6820 17579.4858 0.0000 0.0000 34118.4534 -149278.4606 297.9649 -183396.9141 -149182.6096 298.7001 -185.3353 -153.4492 557819.8615 -2.7923 -2.7530 PRESSURE: 3567600 -281.232 -45.2006 -33.7826 -45.2002 -291.875 -46.0845 -33.7839 -46.0855 -304.698 GPRESSURE: 3567600 -304.186 -57.9798 -131.313 -14.9056 -265.276 -92.8013 58.4511 -107.21 -216.586 PRESSAVG: 3567600 -29.4471 0.0758896 -46.4159 0.0758828 -11.2416 -39.9228 -46.4159 -39.9229 45.1546 GPRESSAVG: 3567600 -29.4019 -0.0898556 -47.3611 -1.60215 -11.168 -41.7412 -45.6647 -39.9531 44.9183 TIMING: 3567600 CPU: 10678, 0.00304853/step Wall: 10678, 0.00304853/step, 1.21298 hours remaining, 206.453125 MB of memory in use. ENERGY: 3567600 771.0040 2084.6455 1956.2156 109.4597 -205529.4700 17422.5280 0.0000 0.0000 34000.8283 -149184.7889 296.9377 -183185.6173 -149089.2926 299.1648 -292.6019 -262.0160 559043.4343 1.4886 1.4494 PRESSURE: 3567800 67.7232 171.613 22.8283 171.613 -28.9886 28.6628 22.8278 28.6644 125.929 GPRESSURE: 3567800 105.662 70.8406 -33.1001 180.738 43.1893 137.327 -18.7747 -8.41416 120.164 PRESSAVG: 3567800 -25.0053 18.8715 8.00915 18.8714 -16.8604 40.6458 8.0092 40.6457 35.5671 GPRESSAVG: 3567800 -22.6269 16.8985 5.35835 19.7149 -18.2087 42.4597 7.14507 41.5492 34.9514 TIMING: 3567800 CPU: 10678.7, 0.00304486/step Wall: 10678.7, 0.00304486/step, 1.21135 hours remaining, 206.453125 MB of memory in use. ENERGY: 3567800 739.0429 2110.3741 1947.6316 126.7546 -206107.5432 17762.5671 0.0000 0.0000 34198.3557 -149222.8171 298.6627 -183421.1728 -149131.4504 298.9114 54.8878 89.6718 557282.8684 -2.0995 -1.9614 PRESSURE: 3568000 -203.734 -72.3593 107.693 -72.3601 -138.631 45.9465 107.693 45.9463 -207.348 GPRESSURE: 3568000 -157.411 23.0528 106.909 -130.849 -100.189 25.5921 -7.54779 68.0301 -196.506 PRESSAVG: 3568000 23.2425 -1.47022 -29.572 -1.47027 -30.6028 19.6888 -29.5719 19.6888 55.8363 GPRESSAVG: 3568000 20.536 -0.0191638 -27.1597 -3.30269 -29.673 18.641 -30.6739 19.9012 57.393 TIMING: 3568000 CPU: 10679.3, 0.00303137/step Wall: 10679.3, 0.00303137/step, 1.20581 hours remaining, 206.453125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3568000 748.6339 2029.1888 1954.7320 106.3302 -206033.7494 17561.0963 0.0000 0.0000 34359.5195 -149274.2485 300.0702 -183633.7680 -149173.0467 298.5388 -183.2375 -151.3688 558021.5153 16.1587 16.0853 PRESSURE: 3568200 -22.3456 -64.721 -31.3349 -64.7201 33.9352 8.29321 -31.3338 8.29511 -99.8086 GPRESSURE: 3568200 45.2086 -126.499 -34.4918 25.898 35.9219 56.6314 -119.124 56.1629 -68.9997 PRESSAVG: 3568200 19.3153 -77.7014 28.0796 -77.7014 -31.8203 16.4117 28.0797 16.4118 10.1115 GPRESSAVG: 3568200 20.2248 -75.705 24.3581 -76.9465 -32.0863 15.0793 29.9025 15.9561 9.7393 TIMING: 3568200 CPU: 10679.9, 0.0030357/step Wall: 10679.9, 0.0030357/step, 1.20737 hours remaining, 206.453125 MB of memory in use. ENERGY: 3568200 775.7572 2060.2958 1945.9726 103.5295 -206069.7349 17826.1752 0.0000 0.0000 34097.5366 -149260.4681 297.7823 -183358.0047 -149166.9698 298.5281 -29.4063 4.0436 558111.7112 -0.7978 -0.7074 LDB: ============= START OF LOAD BALANCING ============== 10683.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10683.3 LDB: =============== DONE WITH MIGRATION ================ 10683.3 LDB: ============= START OF LOAD BALANCING ============== 10683.6 LDB: Largest compute 4820 load 0.022918 is 19.4% of average load 0.118176 LDB: Average compute 0.001723 is 1.5% of average load 0.118176 LDB: TIME 10683.6 LOAD: AVG 0.118176 MAX 0.22292 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.922 MB LDB: TIME 10683.6 LOAD: AVG 0.118176 MAX 0.22292 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 10683.6 LOAD: AVG 0.118176 MAX 0.22292 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 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: 3568400 -100.317 68.4537 -35.8068 68.4535 -44.9954 64.9437 -35.8066 64.9444 111.082 GPRESSURE: 3568400 -23.3263 27.8586 -47.0516 36.388 -11.7233 171.3 -62.8911 4.67431 88.919 PRESSAVG: 3568400 -5.94354 -37.7797 32.17 -37.7797 17.8383 20.5424 32.1698 20.5424 -1.94351 GPRESSAVG: 3568400 -5.93912 -40.0625 35.4945 -35.8289 17.2057 22.8248 31.6514 19.6565 -1.06659 TIMING: 3568400 CPU: 10680.5, 0.00310912/step Wall: 10680.5, 0.00310912/step, 1.23639 hours remaining, 205.746094 MB of memory in use. ENERGY: 3568400 749.7721 2034.8063 1955.7418 108.2717 -205903.1928 17683.6545 0.0000 0.0000 34080.4044 -149290.5420 297.6326 -183370.9465 -149193.7630 298.9375 -11.4101 17.9565 556405.8240 3.3171 3.4000 PRESSURE: 3568600 -171.627 171.304 -138.47 171.303 -301.906 46.8779 -138.471 46.8779 89.6134 GPRESSURE: 3568600 -88.6589 189.688 -142.019 119.099 -319.931 98.95 -132.589 48.0942 119.28 PRESSAVG: 3568600 -20.2464 0.0546829 -1.42307 0.0547182 -36.0947 -43.4943 -1.42304 -43.4943 72.9232 GPRESSAVG: 3568600 -20.4209 2.40399 -1.97334 -2.07364 -36.506 -43.4278 -0.395481 -42.4803 73.1824 TIMING: 3568600 CPU: 10681.1, 0.003039/step Wall: 10681.1, 0.003039/step, 1.20834 hours remaining, 205.945312 MB of memory in use. ENERGY: 3568600 752.1064 2084.4654 1962.9611 115.4439 -205688.8820 17495.9858 0.0000 0.0000 34048.6566 -149229.2628 297.3554 -183277.9194 -149136.4516 298.8944 -127.9730 -96.4366 556926.0669 5.5274 5.4185 PRESSURE: 3568800 -13.4507 -93.8077 72.3487 -93.8081 -114.375 304.654 72.3482 304.655 -109.493 GPRESSURE: 3568800 -0.305933 -47.9891 70.5839 -240.379 -104.253 282.843 93.0395 250.947 -33.2804 PRESSAVG: 3568800 -66.0471 -10.9442 36.4723 -10.9443 -6.24066 59.9438 36.4722 59.9437 78.6345 GPRESSAVG: 3568800 -65.7829 -12.6862 35.0106 -10.6687 -6.1856 61.652 37.2402 57.9519 78.2067 TIMING: 3568800 CPU: 10681.7, 0.00302347/step Wall: 10681.7, 0.00302347/step, 1.202 hours remaining, 205.945312 MB of memory in use. ENERGY: 3568800 738.8852 2096.7857 1930.0586 100.7694 -206201.8281 17764.8184 0.0000 0.0000 34372.5630 -149197.9477 300.1841 -183570.5108 -149093.1370 299.6529 -79.1061 -45.9463 556990.0070 2.1156 2.0794 PRESSURE: 3569000 -25.6664 -101.61 107.946 -101.608 -242.361 111.232 107.946 111.23 31.3409 GPRESSURE: 3569000 -9.59649 -99.4542 152.204 -67.9825 -170.052 44.7008 120.778 184.915 44.5762 PRESSAVG: 3569000 24.3086 -31.8963 68.6248 -31.8963 -28.2073 57.378 68.6248 57.378 36.9091 GPRESSAVG: 3569000 24.9396 -32.1799 66.308 -30.7563 -26.7154 55.0741 68.7846 58.7863 35.3045 TIMING: 3569000 CPU: 10682.3, 0.00302289/step Wall: 10682.3, 0.00302289/step, 1.2016 hours remaining, 205.945312 MB of memory in use. ENERGY: 3569000 758.9492 2129.7553 1950.2388 115.7404 -205962.4110 17551.4224 0.0000 0.0000 34293.7755 -149162.5294 299.4961 -183456.3049 -149072.4592 299.6791 -78.8956 -45.0241 558013.9329 11.0035 11.1763 PRESSURE: 3569200 81.1499 40.5708 -76.0565 40.5704 61.1731 -291.797 -76.0577 -291.798 -10.8105 GPRESSURE: 3569200 100.296 -21.1364 -120.303 44.2709 87.3575 -241.615 10.8124 -315.636 53.3116 PRESSAVG: 3569200 -39.9853 -12.667 67.7999 -12.667 7.55065 17.3314 67.7999 17.3314 79.7459 GPRESSAVG: 3569200 -40.9451 -11.9285 69.1836 -14.3946 7.01101 15.9339 65.9999 17.7573 81.0303 TIMING: 3569200 CPU: 10682.9, 0.00303753/step Wall: 10682.9, 0.00303753/step, 1.20725 hours remaining, 205.945312 MB of memory in use. ENERGY: 3569200 776.1365 2061.4602 1936.1477 102.2334 -206198.5524 17841.6623 0.0000 0.0000 34281.5902 -149199.3222 299.3897 -183480.9124 -149102.3735 299.8604 43.8375 80.3217 558021.0166 15.7704 15.6988 PRESSURE: 3569400 124.965 48.3494 158.415 48.3506 -257.621 -239.211 158.414 -239.212 -163.529 GPRESSURE: 3569400 156.838 68.3349 141.567 156.737 -245.214 -253.133 217.153 -170.498 -106.803 PRESSAVG: 3569400 -45.2565 -27.5297 29.1406 -27.5298 6.4704 -113.533 29.1405 -113.533 56.3814 GPRESSAVG: 3569400 -45.4537 -27.1488 27.8816 -26.9826 6.06621 -110.909 29.9924 -114.351 56.953 TIMING: 3569400 CPU: 10683.5, 0.00305995/step Wall: 10683.5, 0.00305995/step, 1.21599 hours remaining, 205.945312 MB of memory in use. ENERGY: 3569400 755.5969 2019.5830 1929.4436 103.0150 -206102.6130 17534.5273 0.0000 0.0000 34553.5135 -149206.9337 301.7644 -183760.4472 -149110.4849 299.0802 -98.7286 -65.0598 557435.8994 5.8651 5.8552 PRESSURE: 3569600 -303.532 -4.78386 -49.9169 -4.78579 -17.2375 -155.656 -49.9162 -155.656 -201.088 GPRESSURE: 3569600 -250.758 -20.1781 -33.2609 11.2888 -59.1819 -181.376 -139.632 -160.298 -118.684 PRESSAVG: 3569600 -14.2295 -67.9192 45.5203 -67.9192 -40.8861 -60.4791 45.5203 -60.479 63.1612 GPRESSAVG: 3569600 -13.0001 -70.0866 48.722 -66.2158 -40.7948 -61.4543 43.7334 -60.7507 61.1073 TIMING: 3569600 CPU: 10684.1, 0.00308861/step Wall: 10684.1, 0.00308861/step, 1.22721 hours remaining, 206.203125 MB of memory in use. ENERGY: 3569600 796.1745 2103.4482 1931.7882 103.3011 -206090.9521 17592.6061 0.0000 0.0000 34240.5784 -149323.0556 299.0315 -183563.6340 -149230.6142 299.1920 -173.9523 -142.8749 557773.0321 2.6818 2.4375 PRESSURE: 3569800 -59.9253 -46.0806 -65.2962 -46.0801 -52.5435 17.0765 -65.2956 17.0783 -127.138 GPRESSURE: 3569800 10.1026 -19.1369 18.5555 -73.2527 -9.48181 46.9233 -95.3649 -5.729 -141.5 PRESSAVG: 3569800 -1.67753 -6.21618 8.07275 -6.21618 20.7119 -56.1038 8.07273 -56.1038 14.8591 GPRESSAVG: 3569800 -1.78087 -5.19405 7.57793 -5.3989 20.8629 -57.6611 9.82008 -53.9175 14.5738 TIMING: 3569800 CPU: 10684.8, 0.00306482/step Wall: 10684.8, 0.00306482/step, 1.21759 hours remaining, 206.203125 MB of memory in use. ENERGY: 3569800 754.9669 2095.8392 1941.1704 113.5952 -206008.2070 17670.9142 0.0000 0.0000 34321.9220 -149109.7992 299.7419 -183431.7211 -149009.1142 299.2353 -79.8689 -46.9597 557422.8091 11.2978 11.2186 PRESSURE: 3570000 234.151 3.0169 -80.9144 3.01662 -47.922 42.2209 -80.9146 42.2215 -44.7023 GPRESSURE: 3570000 230.658 -75.7154 -118.881 18.0937 27.1629 23.2997 -125.432 25.0231 -14.7046 PRESSAVG: 3570000 14.8893 -4.97933 14.4681 -4.9793 31.5789 -21.0169 14.4681 -21.0169 -94.6743 GPRESSAVG: 3570000 14.7468 -4.75658 16.7349 -6.19412 31.2815 -18.9887 13.3865 -21.8602 -94.0533 TIMING: 3570000 CPU: 10685.4, 0.00305224/step Wall: 10685.4, 0.00305224/step, 1.21242 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: 3570000 778.7428 2076.7984 1949.2556 103.6627 -206407.1128 17958.1423 0.0000 0.0000 34314.7468 -149225.7642 299.6792 -183540.5110 -149128.8169 299.1665 47.1755 81.0387 557204.7328 -16.0687 -16.0083 PRESSURE: 3570200 -346.854 -35.7471 -0.861327 -35.748 -147.804 96.1582 -0.860733 96.1595 -182.81 GPRESSURE: 3570200 -278.341 -68.4875 93.2241 22.2783 -117.433 119.311 -62.6568 136.46 -177.54 PRESSAVG: 3570200 -5.56595 43.5269 -33.5841 43.527 2.14566 16.7013 -33.5841 16.7013 36.7429 GPRESSAVG: 3570200 -5.11427 45.4748 -35.0328 42.5296 2.03723 14.8265 -34.4693 15.767 36.3506 TIMING: 3570200 CPU: 10686, 0.00305927/step Wall: 10686, 0.00305927/step, 1.21504 hours remaining, 206.203125 MB of memory in use. ENERGY: 3570200 739.7265 2093.7290 1934.4774 122.0125 -206184.6765 17579.3456 0.0000 0.0000 34526.6532 -149188.7324 301.5298 -183715.3856 -149092.2960 299.9719 -225.8227 -191.1050 557843.0099 11.1075 11.0912 PRESSURE: 3570400 -58.7848 -32.996 -89.162 -32.9965 -77.8337 -51.0453 -89.1623 -51.0436 -50.0127 GPRESSURE: 3570400 -50.9107 -27.5913 -86.6474 8.52829 -16.4569 -0.824253 -32.5008 -46.6377 -24.3616 PRESSAVG: 3570400 -20.7261 -45.6085 -1.56445 -45.6086 59.3223 13.5411 -1.56439 13.5411 -17.2577 GPRESSAVG: 3570400 -21.2531 -49.016 -2.47272 -43.3061 60.0187 13.8468 0.734786 15.0254 -16.7491 TIMING: 3570400 CPU: 10686.6, 0.00306303/step Wall: 10686.6, 0.00306303/step, 1.21636 hours remaining, 206.203125 MB of memory in use. ENERGY: 3570400 756.9640 2088.9935 1935.8479 115.4791 -206158.4228 17770.8290 0.0000 0.0000 34215.4714 -149274.8380 298.8122 -183490.3094 -149180.5376 299.7133 -62.2104 -30.5764 558403.8054 7.1128 7.3388 PRESSURE: 3570600 26.2047 161.231 40.3598 161.232 53.8684 133.342 40.36 133.341 -84.384 GPRESSURE: 3570600 -17.0397 97.6389 -40.1387 153.196 150.195 100.738 34.3015 202.489 -40.6375 PRESSAVG: 3570600 37.2217 -5.40216 24.786 -5.40221 -61.5141 20.4432 24.7861 20.4431 37.0524 GPRESSAVG: 3570600 38.8389 -2.24114 25.3608 -6.69426 -63.0507 21.0161 22.8821 19.0386 37.3165 TIMING: 3570600 CPU: 10687.2, 0.00303988/step Wall: 10687.2, 0.00303988/step, 1.207 hours remaining, 206.203125 MB of memory in use. ENERGY: 3570600 730.2550 2144.4613 1933.6453 116.3862 -206243.0416 17955.4859 0.0000 0.0000 33945.6440 -149417.1639 296.4558 -183362.8079 -149315.6865 299.2640 -1.4370 30.8391 558339.9858 4.2533 4.3682 PRESSURE: 3570800 -134.783 122.861 77.3118 122.861 -249.584 98.8706 77.3131 98.8699 -329.8 GPRESSURE: 3570800 -82.3057 107.596 115.119 140.922 -229.594 46.4072 69.7116 195.035 -299.326 PRESSAVG: 3570800 20.8995 20.9364 -30.7905 20.9365 -6.68763 26.3012 -30.7905 26.3011 5.32912 GPRESSAVG: 3570800 19.9158 20.3773 -32.2014 22.0088 -5.51054 25.395 -29.719 26.9676 4.71121 TIMING: 3570800 CPU: 10687.8, 0.00309891/step Wall: 10687.8, 0.00309891/step, 1.23027 hours remaining, 206.203125 MB of memory in use. ENERGY: 3570800 790.3724 2077.5631 1936.4970 107.7026 -206010.0112 17510.3574 0.0000 0.0000 34143.4936 -149444.0251 298.1836 -183587.5188 -149345.9567 298.4563 -238.0559 -203.7419 558681.5614 6.5137 6.3721 PRESSURE: 3571000 112.716 -62.0163 26.4038 -62.0163 79.0634 -19.2299 26.4044 -19.2315 371.69 GPRESSURE: 3571000 190.271 -65.3169 -5.9914 -104.481 97.7716 -37.0246 -46.1489 43.6509 377.383 PRESSAVG: 3571000 6.73796 24.2674 28.2212 24.2674 -26.4068 7.41938 28.2212 7.41944 -8.9246 GPRESSAVG: 3571000 8.16547 25.2142 29.0635 22.9949 -27.4345 7.04704 27.6286 8.60671 -8.94078 TIMING: 3571000 CPU: 10688.4, 0.00307632/step Wall: 10688.4, 0.00307632/step, 1.22113 hours remaining, 206.203125 MB of memory in use. ENERGY: 3571000 721.9457 2028.6375 1932.7090 127.0238 -206815.5422 18272.5816 0.0000 0.0000 34164.0013 -149568.6432 298.3627 -183732.6445 -149474.3403 298.0504 187.8232 221.8084 558318.8976 -9.5311 -9.4033 PRESSURE: 3571200 -138.117 -44.7257 -53.0426 -44.7259 -145.166 138.517 -53.0442 138.516 -174.11 GPRESSURE: 3571200 -159.613 -69.197 -170.079 -123.649 -71.0176 130.718 -24.8639 55.7778 -126.216 PRESSAVG: 3571200 -5.47314 18.4745 7.23606 18.4744 3.8762 -36.0456 7.23594 -36.0456 30.5739 GPRESSAVG: 3571200 -6.67977 16.1825 8.11676 18.381 4.50233 -35.7806 6.30294 -37.7766 31.5371 TIMING: 3571200 CPU: 10689.1, 0.0030659/step Wall: 10689.1, 0.0030659/step, 1.21682 hours remaining, 206.203125 MB of memory in use. ENERGY: 3571200 775.8579 2093.2712 1907.6447 134.6173 -206369.8021 17710.6043 0.0000 0.0000 34138.2856 -149609.5211 298.1381 -183747.8067 -149519.7731 298.6403 -152.4643 -118.9489 558260.7443 9.6590 9.7866 PRESSURE: 3571400 -15.8493 -79.914 32.3039 -79.9143 -177.982 -2.12609 32.3039 -2.12639 -96.8276 GPRESSURE: 3571400 -4.46354 -142.044 -6.46279 -10.0769 -135.578 -11.4366 96.8649 -25.8459 -50.0112 PRESSAVG: 3571400 -13.751 10.6663 17.7664 10.6663 -58.1878 -31.1478 17.7664 -31.1477 44.7469 GPRESSAVG: 3571400 -14.5117 9.22167 15.9124 12.1638 -57.9663 -30.7707 19.5232 -32.0003 44.8371 TIMING: 3571400 CPU: 10689.7, 0.00306512/step Wall: 10689.7, 0.00306512/step, 1.21634 hours remaining, 206.203125 MB of memory in use. ENERGY: 3571400 773.9436 2082.2359 1928.8451 107.9791 -206111.9415 17644.5260 0.0000 0.0000 34182.8287 -149391.5831 298.5271 -183574.4118 -149289.9388 299.1862 -96.8864 -63.3508 556528.1951 -9.0640 -9.2137 PRESSURE: 3571600 100.989 -9.43966 13.9423 -9.43966 38.2922 -29.3494 13.9434 -29.3492 -169.091 GPRESSURE: 3571600 131.454 32.4068 -7.23008 -32.7152 64.5464 -69.4092 41.1881 -50.7121 -115.516 PRESSAVG: 3571600 6.1966 -41.7455 -8.40525 -41.7455 20.1306 -7.30646 -8.40521 -7.30641 -60.2763 GPRESSAVG: 3571600 7.61422 -40.3562 -9.26744 -42.1144 19.9506 -7.65786 -8.28369 -3.31505 -61.5531 TIMING: 3571600 CPU: 10690.3, 0.00309177/step Wall: 10690.3, 0.00309177/step, 1.22674 hours remaining, 206.203125 MB of memory in use. ENERGY: 3571600 740.8487 2127.6503 1939.0679 110.6223 -206240.3159 17889.0025 0.0000 0.0000 34080.8724 -149352.2520 297.6367 -183433.1244 -149263.6794 299.2537 -9.9366 26.8281 556893.7624 -11.3164 -11.3294 PRESSURE: 3571800 131.57 -5.84438 14.205 -5.84497 0.900234 91.7772 14.2046 91.7782 -122.296 GPRESSURE: 3571800 168.762 -69.0913 33.0459 42.7646 32.2249 164.332 65.6688 50.007 -92.7069 PRESSAVG: 3571800 2.86577 -0.900645 -2.52776 -0.900626 -19.7206 65.8717 -2.52766 65.8718 -12.8824 GPRESSAVG: 3571800 1.82553 -1.08748 -1.34903 -1.00335 -19.5637 64.768 -2.98702 64.127 -11.6191 TIMING: 3571800 CPU: 10690.9, 0.00305345/step Wall: 10690.9, 0.00305345/step, 1.21137 hours remaining, 206.203125 MB of memory in use. ENERGY: 3571800 746.9155 2148.0209 1925.5594 102.9685 -206252.8043 17957.3915 0.0000 0.0000 33921.1435 -149450.8050 296.2418 -183371.9485 -149355.6793 298.8459 3.3914 36.0932 558283.2563 -9.9124 -9.7858 PRESSURE: 3572000 94.8909 -57.4381 -5.0396 -57.438 286.955 68.4113 -5.04078 68.4106 80.1991 GPRESSURE: 3572000 116.096 -98.5375 -23.4343 20.4294 315.033 -25.2423 -0.736845 38.5877 115.65 PRESSAVG: 3572000 30.3079 10.1862 -7.20405 10.1861 43.815 39.7534 -7.20413 39.7534 -66.7853 GPRESSAVG: 3572000 30.3783 10.1296 -5.63586 9.6156 44.6451 40.5943 -8.95982 39.1889 -68.0332 TIMING: 3572000 CPU: 10691.5, 0.00304746/step Wall: 10691.5, 0.00304746/step, 1.20883 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: 3572000 731.9667 2146.6046 1936.8640 104.3178 -206793.8926 18133.1120 0.0000 0.0000 34127.0875 -149613.9399 298.0403 -183741.0275 -149521.1039 297.9475 154.0150 182.2598 556501.5626 2.4459 2.3301 PRESSURE: 3572200 -16.4455 -46.8066 -64.3576 -46.8075 198.864 -63.4214 -64.3577 -63.4217 -195.86 GPRESSURE: 3572200 21.133 4.7557 14.8056 3.12522 219.703 -62.4359 -97.7915 -106.346 -149.714 PRESSAVG: 3572200 -2.18361 44.1254 1.97122 44.1254 36.9641 0.288983 1.97122 0.288926 -63.2569 GPRESSAVG: 3572200 -3.44006 44.0875 1.25057 43.5791 35.4965 0.528793 3.58609 -0.401237 -59.884 TIMING: 3572200 CPU: 10692.1, 0.00306281/step Wall: 10692.1, 0.00306281/step, 1.21474 hours remaining, 206.203125 MB of memory in use. ENERGY: 3572200 756.8625 2135.8651 1954.4303 112.5268 -206293.0623 17784.0735 0.0000 0.0000 34196.4934 -149352.8106 298.6465 -183549.3041 -149257.7816 298.5778 -4.4807 30.3738 557745.1116 -9.4921 -9.2759 LDB: ============= START OF LOAD BALANCING ============== 10695.6 LDB: ============== END OF LOAD BALANCING =============== 10695.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10695.6 LDB: ============= START OF LOAD BALANCING ============== 10695.9 LDB: Largest compute 4820 load 0.023604 is 20.0% of average load 0.118116 LDB: Average compute 0.001721 is 1.5% of average load 0.118116 LDB: TIME 10695.9 LOAD: AVG 0.118116 MAX 0.217495 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.391 MB LDB: TIME 10695.9 LOAD: AVG 0.118116 MAX 0.217495 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.398 MB LDB: TIME 10695.9 LOAD: AVG 0.118116 MAX 0.217495 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10695.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10695.9 PRESSURE: 3572400 305.096 -31.8309 24.4725 -31.8297 -93.1487 -121.082 24.474 -121.081 86.5308 GPRESSURE: 3572400 301.197 -53.1412 78.8344 -91.8529 -25.2499 -119.351 -34.3584 -117.372 114.667 PRESSAVG: 3572400 -28.9667 33.6574 1.70085 33.6573 52.7355 13.2678 1.70092 13.2678 -23.0915 GPRESSAVG: 3572400 -28.499 33.4268 2.55849 35.7264 52.2244 14.9718 1.86194 11.566 -23.1455 TIMING: 3572400 CPU: 10692.7, 0.00312139/step Wall: 10692.7, 0.00312139/step, 1.23781 hours remaining, 205.945312 MB of memory in use. ENERGY: 3572400 742.6208 2122.3414 1924.0225 102.6906 -206656.9096 18048.0638 0.0000 0.0000 34516.3059 -149200.8646 301.4395 -183717.1705 -149100.4232 299.3331 99.4927 130.2047 558701.3383 0.2258 0.1933 PRESSURE: 3572600 141.978 139.619 131.416 139.62 51.2319 81.6402 131.415 81.6398 -253.541 GPRESSURE: 3572600 181.063 56.5426 114.483 163.407 65.8471 29.329 107.28 112.486 -216.649 PRESSAVG: 3572600 -14.2594 8.14716 -43.7551 8.14715 53.3809 5.5977 -43.7552 5.59767 -20.2374 GPRESSAVG: 3572600 -14.2097 8.32087 -45.779 6.02293 54.0143 2.6285 -43.7372 8.5567 -21.1736 TIMING: 3572600 CPU: 10693.4, 0.00304764/step Wall: 10693.4, 0.00304764/step, 1.20839 hours remaining, 205.945312 MB of memory in use. ENERGY: 3572600 724.3515 2133.4293 1916.7281 115.7561 -206336.3698 17901.2711 0.0000 0.0000 34348.3933 -149196.4403 299.9731 -183544.8336 -149098.3505 298.8933 -20.1102 10.0870 558564.1943 6.2947 6.2103 PRESSURE: 3572800 153.597 -21.0567 55.7812 -21.0552 13.5765 139.948 55.7808 139.948 -21.6101 GPRESSURE: 3572800 202.323 -7.23091 113.204 0.974041 4.44896 95.283 -69.3705 147.1 26.2787 PRESSAVG: 3572800 -10.0605 14.6741 33.6458 14.6741 -5.4555 60.2504 33.6458 60.2504 19.6532 GPRESSAVG: 3572800 -9.31071 14.3096 34.2106 15.4353 -5.88789 59.9021 32.8985 59.7286 18.9434 TIMING: 3572800 CPU: 10694, 0.00305044/step Wall: 10694, 0.00305044/step, 1.20933 hours remaining, 205.945312 MB of memory in use. ENERGY: 3572800 734.8383 2076.0815 1932.4789 119.2310 -206149.2412 17868.3987 0.0000 0.0000 34318.1923 -149100.0206 299.7093 -183418.2128 -148998.7098 299.1378 48.5212 77.6835 556863.3918 1.3791 1.2483 PRESSURE: 3573000 -36.3797 -143.646 -73.7483 -143.645 212.833 -42.4632 -73.7481 -42.463 60.2089 GPRESSURE: 3573000 -8.28729 -164.568 -19.2125 -118.257 213.469 -122.135 -174.631 -36.1455 135.961 PRESSAVG: 3573000 28.6488 26.4946 3.89267 26.4946 -33.9743 -28.3949 3.89267 -28.3949 -55.1283 GPRESSAVG: 3573000 27.5507 26.9617 2.31228 27.2003 -33.578 -25.1444 4.52668 -28.2664 -54.1524 TIMING: 3573000 CPU: 10694.6, 0.00305183/step Wall: 10694.6, 0.00305183/step, 1.20971 hours remaining, 205.945312 MB of memory in use. ENERGY: 3573000 738.5477 2056.9430 1954.3100 119.6891 -206692.6115 17981.5453 0.0000 0.0000 34515.0893 -149326.4871 301.4289 -183841.5765 -149228.4483 298.9441 78.8875 113.7140 556349.3796 -20.1513 -20.0599 PRESSURE: 3573200 -138.887 -110.179 -122.775 -110.179 4.11493 -82.6979 -122.776 -82.6989 -53.9514 GPRESSURE: 3573200 -95.9197 -187.328 -51.8275 -115.265 29.9545 -42.6196 -127.923 -72.4114 -20.6971 PRESSAVG: 3573200 -0.701292 6.01315 -35.2919 6.01318 34.3304 -109.83 -35.2919 -109.83 -31.3664 GPRESSAVG: 3573200 0.1865 5.77539 -34.5251 6.05088 34.6966 -111.554 -35.0781 -107.931 -32.861 TIMING: 3573200 CPU: 10695.2, 0.00304448/step Wall: 10695.2, 0.00304448/step, 1.20663 hours remaining, 205.945312 MB of memory in use. ENERGY: 3573200 757.8835 2037.0144 1941.4179 120.0319 -206510.5950 17847.4585 0.0000 0.0000 34562.7006 -149244.0883 301.8447 -183806.7889 -149140.6601 299.7467 -62.9077 -28.8874 557934.5507 0.7542 0.6740 PRESSURE: 3573400 98.1958 -76.8335 110.992 -76.8342 53.145 -264.573 110.99 -264.572 -10.0007 GPRESSURE: 3573400 151.26 -138.131 -4.93771 -49.6258 71.2988 -315.467 163.803 -233.652 12.3414 PRESSAVG: 3573400 87.9538 -22.8539 9.6677 -22.854 -28.0028 -67.0935 9.6677 -67.0936 -35.9316 GPRESSAVG: 3573400 86.0506 -23.5508 11.3678 -23.5317 -28.9119 -69.0625 9.25478 -67.6562 -33.5133 TIMING: 3573400 CPU: 10695.8, 0.00305662/step Wall: 10695.8, 0.00305662/step, 1.21127 hours remaining, 205.945312 MB of memory in use. ENERGY: 3573400 711.4655 2114.0464 1946.4621 112.6884 -206052.6056 17706.9687 0.0000 0.0000 34192.4542 -149268.5204 298.6112 -183460.9746 -149176.1368 299.6257 47.1134 78.3000 558156.8289 8.0065 7.8751 PRESSURE: 3573600 28.9378 -24.5595 -106.25 -24.5604 -118.421 -7.66149 -106.251 -7.66337 -278.311 GPRESSURE: 3573600 6.62813 -20.2616 -115.9 -25.9644 -53.4022 -49.0472 -95.1286 -30.7325 -221.401 PRESSAVG: 3573600 22.4343 3.26442 27.8657 3.26448 -0.305675 -85.3581 27.8657 -85.3582 -6.58352 GPRESSAVG: 3573600 24.1402 5.3913 26.0281 1.63669 0.351858 -82.9791 28.4517 -86.1781 -8.17608 TIMING: 3573600 CPU: 10696.4, 0.00307327/step Wall: 10696.4, 0.00307327/step, 1.2177 hours remaining, 205.945312 MB of memory in use. ENERGY: 3573600 737.6380 2111.5266 1929.3015 104.8870 -206248.1553 17785.4751 0.0000 0.0000 34191.7035 -149387.6236 298.6047 -183579.3271 -149292.7685 299.5523 -122.5980 -89.3918 558542.5413 5.1817 5.4387 PRESSURE: 3573800 104.448 -17.7289 104.043 -17.7284 30.923 -195.133 104.043 -195.132 310.493 GPRESSURE: 3573800 151.554 3.90272 -30.5423 29.32 88.5439 -145.401 103.252 -192.691 289.233 PRESSAVG: 3573800 -6.00147 42.0345 26.9176 42.0344 -27.5534 -37.5671 26.9176 -37.5669 54.3819 GPRESSAVG: 3573800 -5.43687 39.3564 26.881 43.978 -27.6708 -37.3037 26.7536 -38.2861 54.1518 TIMING: 3573800 CPU: 10697, 0.00306084/step Wall: 10697, 0.00306084/step, 1.2126 hours remaining, 205.945312 MB of memory in use. ENERGY: 3573800 743.3462 2041.5585 1946.7127 106.4201 -206701.1038 18235.2132 0.0000 0.0000 34358.4106 -149269.4425 300.0605 -183627.8531 -149176.7352 299.6917 148.6212 176.4434 557564.1272 6.9424 7.0147 PRESSURE: 3574000 -247.593 -25.7663 -19.5909 -25.7655 -123.382 -130.881 -19.5905 -130.882 -82.607 GPRESSURE: 3574000 -173.895 -12.0397 -38.3928 0.239866 -98.2076 -24.6021 -52.1319 -183.201 -73.4589 PRESSAVG: 3574000 27.5521 4.88451 10.1079 4.88462 -55.3057 -66.26 10.1078 -66.2601 11.2861 GPRESSAVG: 3574000 27.7005 6.89908 12.0806 3.25277 -55.7967 -64.9302 9.26781 -66.0305 12.1679 TIMING: 3574000 CPU: 10697.6, 0.00307212/step Wall: 10697.6, 0.00307212/step, 1.2169 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: 3574000 708.1464 2061.1763 1944.0744 115.1536 -205680.9575 17425.4592 0.0000 0.0000 34293.7792 -149133.1683 299.4961 -183426.9476 -149036.1038 299.4718 -151.1940 -115.1871 557529.7992 -5.4892 -5.3095 PRESSURE: 3574200 112.663 34.7269 -89.6958 34.7273 -23.1576 109.972 -89.6943 109.973 -65.7105 GPRESSURE: 3574200 105.875 72.4256 -115.89 85.3882 -81.0036 152.912 -60.9858 134.643 93.2129 PRESSAVG: 3574200 21.676 1.86491 4.91456 1.86487 1.63705 -24.0674 4.91448 -24.0675 1.50843 GPRESSAVG: 3574200 20.3231 -0.724895 4.03846 3.0361 2.16321 -26.1077 5.48726 -23.6507 2.31761 TIMING: 3574200 CPU: 10698.3, 0.00310778/step Wall: 10698.3, 0.00310778/step, 1.23085 hours remaining, 205.945312 MB of memory in use. ENERGY: 3574200 695.4324 2113.3797 1971.2018 103.7063 -206413.2735 17854.7760 0.0000 0.0000 34199.8404 -149474.9368 298.6757 -183674.7772 -149379.4927 298.9711 7.9317 39.3616 556546.7089 8.2738 8.2680 PRESSURE: 3574400 -191.512 -31.0644 -4.03202 -31.0644 115.669 -27.6667 -4.03117 -27.6674 -199.697 GPRESSURE: 3574400 -119.236 11.7334 -79.9713 -20.3467 106.904 -91.4788 37.9702 -2.769 -160.953 PRESSAVG: 3574400 -43.9203 -46.2351 -22.8385 -46.2349 24.221 -11.9658 -22.8385 -11.9658 31.956 GPRESSAVG: 3574400 -42.7273 -42.5853 -22.7219 -46.4196 24.1221 -12.9503 -23.48 -11.318 31.1426 TIMING: 3574400 CPU: 10698.9, 0.00308753/step Wall: 10698.9, 0.00308753/step, 1.22266 hours remaining, 205.945312 MB of memory in use. ENERGY: 3574400 745.4850 2085.6175 1919.0369 109.4285 -206182.3340 17712.5748 0.0000 0.0000 33996.5956 -149613.5958 296.9007 -183610.1914 -149521.1744 298.2152 -91.8467 -57.7616 557135.3511 4.0856 4.1791 PRESSURE: 3574600 -48.4854 -47.8394 37.0878 -47.8399 -52.8295 -45.929 37.0871 -45.9288 -111.827 GPRESSURE: 3574600 -60.3217 -34.5961 73.767 -46.7279 47.5154 -110.926 34.5614 -10.3866 -101.041 PRESSAVG: 3574600 13.6959 44.4524 -43.9661 44.4524 -3.23085 35.1347 -43.9661 35.1347 -4.33316 GPRESSAVG: 3574600 14.4137 41.1768 -43.759 47.1907 -2.93187 33.3763 -41.7776 35.4714 -4.58903 TIMING: 3574600 CPU: 10699.5, 0.00308364/step Wall: 10699.5, 0.00308364/step, 1.22095 hours remaining, 205.945312 MB of memory in use. ENERGY: 3574600 754.1056 2054.5628 1963.0140 123.6652 -206281.6317 17698.9077 0.0000 0.0000 34075.8159 -149611.5605 297.5926 -183687.3764 -149522.1941 298.5517 -71.0472 -37.9490 558061.6486 2.0440 2.2976 PRESSURE: 3574800 -284.834 -28.1619 101.839 -28.1646 -293.304 59.7285 101.838 59.7285 -12.3305 GPRESSURE: 3574800 -289.515 -94.0075 136.785 -35.5255 -253.98 43.0768 32.0094 115.396 46.3915 PRESSAVG: 3574800 -10.9133 10.2348 -18.7877 10.2346 29.7778 -39.1778 -18.7877 -39.1778 -32.4045 GPRESSAVG: 3574800 -10.9312 11.2434 -19.763 8.33934 29.1401 -36.2077 -19.6255 -40.2292 -31.7071 TIMING: 3574800 CPU: 10700.1, 0.00304107/step Wall: 10700.1, 0.00304107/step, 1.20392 hours remaining, 205.945312 MB of memory in use. ENERGY: 3574800 742.1179 2020.1795 1959.4650 110.1245 -206127.7003 17669.7692 0.0000 0.0000 33954.8996 -149671.1446 296.5366 -183626.0443 -149565.3060 298.2194 -196.8228 -165.7010 559439.7839 -4.5133 -4.4994 PRESSURE: 3575000 -163.76 -99.0521 -35.8555 -99.0524 -202.56 -47.7884 -35.8547 -47.7858 -240.883 GPRESSURE: 3575000 -95.3008 -68.4434 -25.5706 -104.867 -131.888 -50.0705 -5.961 -30.8176 -280.346 PRESSAVG: 3575000 -29.6564 -29.7263 -7.63676 -29.7263 12.2715 21.6945 -7.63681 21.6944 1.58776 GPRESSAVG: 3575000 -29.7502 -30.1285 -8.7993 -30.2396 11.5994 22.3469 -5.5061 20.6833 2.27751 TIMING: 3575000 CPU: 10700.7, 0.00302264/step Wall: 10700.7, 0.00302264/step, 1.19646 hours remaining, 205.945312 MB of memory in use. ENERGY: 3575000 715.4079 2078.1077 1938.3778 118.8372 -206337.0136 17603.9850 0.0000 0.0000 34269.2593 -149613.0386 299.2820 -183882.2979 -149522.4037 297.7372 -202.4008 -169.1782 558008.3061 -5.2657 -5.2911 PRESSURE: 3575200 -91.8978 -34.2205 31.4846 -34.2211 13.9944 89.28 31.4847 89.2811 -183.929 GPRESSURE: 3575200 -70.1989 -5.71696 4.00687 -70.7831 56.2381 109.689 59.254 97.0187 -138.99 PRESSAVG: 3575200 1.14871 8.07733 15.5856 8.07731 37.2267 32.689 15.5857 32.6889 -0.1734 GPRESSAVG: 3575200 1.89514 9.64397 17.4167 8.18694 36.888 32.4377 15.5972 32.1388 0.278086 TIMING: 3575200 CPU: 10701.3, 0.00299792/step Wall: 10701.3, 0.00299792/step, 1.18651 hours remaining, 205.945312 MB of memory in use. ENERGY: 3575200 754.2962 2128.8724 1944.6723 117.2284 -206485.2295 17987.2446 0.0000 0.0000 33939.6340 -149613.2817 296.4033 -183552.9156 -149528.8840 298.5310 -87.2774 -50.9835 558636.6524 12.7340 13.0204 PRESSURE: 3575400 -131.554 -149.988 -14.6655 -149.987 85.2618 77.0996 -14.6659 77.0992 46.8889 GPRESSURE: 3575400 -86.7162 -131.527 -74.0696 -235.504 165.396 54.4441 -43.0216 112.371 18.1593 PRESSAVG: 3575400 -33.3693 2.42182 35.4649 2.42183 15.1102 -52.0818 35.4649 -52.0817 21.6561 GPRESSAVG: 3575400 -33.9684 0.333883 34.6828 2.40007 16.2258 -51.0762 35.631 -52.5707 20.71 TIMING: 3575400 CPU: 10701.9, 0.00304419/step Wall: 10701.9, 0.00304419/step, 1.20465 hours remaining, 205.945312 MB of memory in use. ENERGY: 3575400 725.1774 2103.4682 1954.5217 122.5059 -206471.8567 17997.5634 0.0000 0.0000 33913.7412 -149654.8789 296.1771 -183568.6201 -149550.3003 298.4096 0.1989 32.2796 558831.8848 1.1323 0.9891 PRESSURE: 3575600 -344.444 120.628 124.51 120.628 -221.863 -115.915 124.511 -115.917 -42.1266 GPRESSURE: 3575600 -316.765 113.478 137.294 73.1215 -160.571 -116.998 106.318 -164.239 -22.261 PRESSAVG: 3575600 13.7157 -52.0676 4.71424 -52.0677 67.1191 -31.6789 4.71437 -31.6789 -19.7216 GPRESSAVG: 3575600 13.6564 -51.5662 4.97427 -51.6423 67.8145 -32.8083 2.76411 -31.2712 -19.9901 TIMING: 3575600 CPU: 10702.5, 0.00304879/step Wall: 10702.5, 0.00304879/step, 1.2063 hours remaining, 205.945312 MB of memory in use. ENERGY: 3575600 748.3832 2032.1615 1956.7768 114.5571 -205983.8928 17708.3510 0.0000 0.0000 33995.8169 -149427.8461 296.8939 -183423.6630 -149331.9638 298.0620 -202.8110 -166.5324 558763.5605 20.3711 20.4936 PRESSURE: 3575800 -7.18592 -157.873 -45.524 -157.874 0.569073 -2.66375 -45.5229 -2.66322 -75.0346 GPRESSURE: 3575800 54.8368 -156.949 -137.161 -155.79 10.7995 -15.4345 -13.4647 17.9812 -51.1104 PRESSAVG: 3575800 -33.6686 -8.61136 18.1315 -8.61135 17.4072 8.83685 18.1315 8.83684 -7.25643 GPRESSAVG: 3575800 -32.3846 -7.74948 20.4526 -9.03665 16.5696 9.41276 17.4694 8.2543 -7.61777 TIMING: 3575800 CPU: 10703.1, 0.00307253/step Wall: 10703.1, 0.00307253/step, 1.21553 hours remaining, 205.945312 MB of memory in use. ENERGY: 3575800 736.1504 2093.3761 1946.1080 113.2932 -206478.3095 17937.9108 0.0000 0.0000 34231.0279 -149420.4429 298.9481 -183651.4708 -149319.2186 298.2226 -27.2171 4.8420 557924.3354 -7.8393 -7.8109 PRESSURE: 3576000 217.693 -60.2375 2.55574 -60.2359 -228.181 111.236 2.5566 111.236 -95.4057 GPRESSURE: 3576000 241.496 -18.6036 33.0102 -66.7079 -140.852 19.4557 -22.6724 205.123 -103.048 PRESSAVG: 3576000 -13.014 -82.5356 -9.97175 -82.5356 10.8685 46.4173 -9.97178 46.4174 27.2749 GPRESSAVG: 3576000 -13.2344 -81.9103 -12.7047 -82.9026 10.7387 46.399 -7.0056 48.2958 27.449 TIMING: 3576000 CPU: 10703.7, 0.00304356/step Wall: 10703.7, 0.00304356/step, 1.2039 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: 3576000 730.0459 2078.6665 1943.2815 111.4012 -206327.5658 17931.6882 0.0000 0.0000 34072.9900 -149459.4926 297.5679 -183532.4825 -149355.1579 298.5933 -35.2980 -0.8014 556570.6797 8.3765 8.3178 PRESSURE: 3576200 79.6321 29.8689 181.111 29.8689 -161.554 -28.0976 181.111 -28.0984 -68.0802 GPRESSURE: 3576200 157.652 -16.8957 206.307 62.3818 -180.331 -43.3866 143.191 14.1461 -16.0464 PRESSAVG: 3576200 -25.9169 -16.7204 32.9118 -16.7204 -8.97193 46.5312 32.9118 46.5313 23.2848 GPRESSAVG: 3576200 -25.2749 -17.4807 32.989 -14.8506 -8.30559 44.8201 32.1202 47.3345 22.2661 TIMING: 3576200 CPU: 10704.4, 0.00306602/step Wall: 10704.4, 0.00306602/step, 1.21261 hours remaining, 205.945312 MB of memory in use. ENERGY: 3576200 737.4689 2039.8738 1950.9754 120.8694 -206566.9690 17850.2187 0.0000 0.0000 34309.4523 -149558.1106 299.6330 -183867.5629 -149454.3700 299.0089 -50.0006 -12.9086 556389.0033 -3.8680 -3.7714 LDB: ============= START OF LOAD BALANCING ============== 10707.8 LDB: ============== END OF LOAD BALANCING =============== 10707.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10707.8 LDB: ============= START OF LOAD BALANCING ============== 10708.1 LDB: Largest compute 4820 load 0.024477 is 20.7% of average load 0.118073 LDB: Average compute 0.001721 is 1.5% of average load 0.118073 LDB: TIME 10708.1 LOAD: AVG 0.118073 MAX 0.217398 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 10708.1 LOAD: AVG 0.118073 MAX 0.217398 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: TIME 10708.1 LOAD: AVG 0.118073 MAX 0.217398 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10708.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10708.1 PRESSURE: 3576400 83.0867 -35.2474 -7.93303 -35.249 -39.1754 -113.143 -7.93372 -113.142 54.1179 GPRESSURE: 3576400 156.481 -36.9372 -0.642484 -29.5345 16.6456 -138.14 2.84519 -37.0977 38.8412 PRESSAVG: 3576400 -7.2781 18.3658 0.944677 18.3658 46.3187 -22.2579 0.944779 -22.2578 -22.8316 GPRESSAVG: 3576400 -8.0966 18.3923 2.63739 16.0028 46.6783 -18.2816 -0.851466 -24.0154 -22.0172 TIMING: 3576400 CPU: 10705, 0.00313447/step Wall: 10705, 0.00313447/step, 1.23951 hours remaining, 205.945312 MB of memory in use. ENERGY: 3576400 744.1739 2053.9124 1945.4034 103.2266 -206426.4253 17845.2628 0.0000 0.0000 34217.8045 -149516.6416 298.8326 -183734.4461 -149411.1075 298.9234 32.6764 70.6559 556699.7072 5.4030 5.5215 PRESSURE: 3576600 -64.3392 -153.768 -4.67064 -153.769 -150.227 -54.0871 -4.67069 -54.0872 -333.708 GPRESSURE: 3576600 -29.6712 -163.245 33.3896 -164.904 -112.85 -88.2185 -89.3519 37.6218 -301.882 PRESSAVG: 3576600 -33.3708 0.677201 15.3818 0.677234 30.0171 -17.1457 15.382 -17.1457 32.9452 GPRESSAVG: 3576600 -33.1405 -0.47717 14.1755 3.24372 29.4456 -22.2666 16.5795 -13.4082 33.3344 TIMING: 3576600 CPU: 10705.6, 0.00307649/step Wall: 10705.6, 0.00307649/step, 1.21641 hours remaining, 206.148438 MB of memory in use. ENERGY: 3576600 735.8671 2089.2809 1932.8829 113.4282 -205959.9655 17455.8642 0.0000 0.0000 34120.6033 -149512.0388 297.9837 -183632.6421 -149417.7138 298.7118 -182.7579 -148.1346 557520.5549 9.8639 9.8798 PRESSURE: 3576800 21.2655 -56.2404 49.8704 -56.24 -125.656 142.675 49.8714 142.675 -56.6946 GPRESSURE: 3576800 21.2754 -8.33565 -4.32158 -103.577 -39.1044 129.325 2.31356 191.473 -49.8753 PRESSAVG: 3576800 94.0199 33.7442 3.74925 33.7443 0.370755 -9.12084 3.74924 -9.12086 -17.1893 GPRESSAVG: 3576800 92.9634 34.2674 2.20362 34.2978 1.04477 -5.79634 4.93637 -12.8887 -17.6685 TIMING: 3576800 CPU: 10706.2, 0.00308123/step Wall: 10706.2, 0.00308123/step, 1.21811 hours remaining, 206.148438 MB of memory in use. ENERGY: 3576800 717.0607 2094.0454 1948.5493 109.9929 -206055.4431 17653.9304 0.0000 0.0000 34015.8511 -149516.0133 297.0689 -183531.8644 -149418.7965 298.8321 -53.6950 -22.5681 557621.2482 25.7338 25.4466 PRESSURE: 3577000 -0.807075 124.371 -41.6344 124.372 -135.369 64.7995 -41.6355 64.7991 -179.701 GPRESSURE: 3577000 3.53378 121.18 -43.9615 28.1882 -113.158 -12.6924 5.93328 59.5345 -98.0283 PRESSAVG: 3577000 8.93074 26.3989 -38.9222 26.399 -20.7111 20.3247 -38.9222 20.3248 30.5436 GPRESSAVG: 3577000 10.3245 26.1239 -38.1814 25.3732 -21.9596 20.1375 -39.4039 21.2779 30.7918 TIMING: 3577000 CPU: 10706.8, 0.0031179/step Wall: 10706.8, 0.0031179/step, 1.23244 hours remaining, 206.148438 MB of memory in use. ENERGY: 3577000 762.8033 2126.1149 1944.6613 108.4597 -206232.6097 17778.0704 0.0000 0.0000 34165.6439 -149346.8562 298.3771 -183512.5001 -149248.1686 298.8561 -105.2925 -69.2175 557657.8593 6.2544 6.3856 PRESSURE: 3577200 179.79 -9.25909 94.705 -9.25876 346.442 -2.84936 94.7048 -2.84737 128.042 GPRESSURE: 3577200 262.752 89.512 136.972 29.7265 339.66 28.9188 38.2701 71.4983 143.662 PRESSAVG: 3577200 -2.40606 3.83798 9.91099 3.83798 56.6669 0.768675 9.91104 0.768691 -23.7593 GPRESSAVG: 3577200 -4.16564 2.76731 10.0018 4.46604 58.15 0.609807 9.96029 2.07309 -23.1505 TIMING: 3577200 CPU: 10707.5, 0.00309185/step Wall: 10707.5, 0.00309185/step, 1.22197 hours remaining, 206.148438 MB of memory in use. ENERGY: 3577200 752.7031 2151.0642 1941.0763 108.5063 -206943.7156 18251.6796 0.0000 0.0000 34259.3622 -149479.3238 299.1955 -183738.6861 -149382.7004 298.2271 218.0912 248.6915 556821.4096 10.1672 10.2780 PRESSURE: 3577400 120.394 60.2954 -221.526 60.2947 -102.535 -85.1382 -221.526 -85.1372 -94.08 GPRESSURE: 3577400 139.945 -12.4374 -194.126 65.8857 -69.9062 -125.821 -235.336 -56.4547 -44.4128 PRESSAVG: 3577400 -10.2943 9.25498 28.4181 9.25499 -7.10361 -5.14083 28.418 -5.14081 84.7995 GPRESSAVG: 3577400 -10.7375 12.5886 28.7614 6.51972 -8.00303 -7.06042 28.5608 -4.74067 85.888 TIMING: 3577400 CPU: 10708.1, 0.00307732/step Wall: 10708.1, 0.00307732/step, 1.21606 hours remaining, 206.148438 MB of memory in use. ENERGY: 3577400 753.7492 2119.2121 1938.4286 111.0311 -206424.1419 17892.3796 0.0000 0.0000 34229.9836 -149379.3577 298.9390 -183609.3414 -149279.0751 298.8258 -25.4069 8.5421 556957.5116 22.4672 22.3825 PRESSURE: 3577600 -281.144 83.6132 112.978 83.6135 -336.812 -3.87836 112.977 -3.87818 -221.168 GPRESSURE: 3577600 -255.046 -2.63085 112.478 89.8505 -306.116 -25.2255 43.2748 -39.2937 -178.404 PRESSAVG: 3577600 22.7297 -19.787 -33.0309 -19.7871 -31.8618 -2.36028 -33.031 -2.36024 -20.7479 GPRESSAVG: 3577600 23.1656 -24.2234 -32.572 -17.932 -31.7533 -1.48265 -32.1607 -2.76423 -22.2015 TIMING: 3577600 CPU: 10708.7, 0.00308886/step Wall: 10708.7, 0.00308886/step, 1.22044 hours remaining, 206.148438 MB of memory in use. ENERGY: 3577600 755.4181 2139.9434 1932.4505 127.1017 -205701.9765 17406.9497 0.0000 0.0000 34249.4025 -149090.7106 299.1086 -183340.1132 -148991.4938 299.1439 -279.7079 -246.5220 558059.5765 -9.9600 -10.2631 PRESSURE: 3577800 -93.5478 134.328 -74.0596 134.329 -261.278 23.0602 -74.0591 23.0603 234.514 GPRESSURE: 3577800 -35.2642 139.654 -33.4139 120.066 -249.687 110.015 -145.419 -84.5136 261.608 PRESSAVG: 3577800 19.1093 14.9054 -34.6346 14.9054 6.68979 15.2012 -34.6346 15.2014 1.56238 GPRESSAVG: 3577800 18.7371 18.5281 -33.6408 13.4478 6.71571 14.938 -34.8686 14.7694 1.6497 TIMING: 3577800 CPU: 10709.3, 0.00310698/step Wall: 10709.3, 0.00310698/step, 1.22743 hours remaining, 206.148438 MB of memory in use. ENERGY: 3577800 747.2308 2081.6236 1935.9565 114.9303 -206026.6977 17653.0080 0.0000 0.0000 34454.9861 -149038.9623 300.9040 -183493.9485 -148936.0712 299.6165 -40.1040 -7.7813 557152.2547 9.1205 9.0342 PRESSURE: 3578000 78.3058 -133.613 1.8493 -133.613 -47.4795 -112.29 1.84892 -112.29 -126.717 GPRESSURE: 3578000 50.304 -86.7053 32.7807 -110.168 69.074 -189.644 -68.5336 -92.7447 -126.982 PRESSAVG: 3578000 77.8491 -6.05082 -86.503 -6.05078 -15.3368 -1.69636 -86.5029 -1.69649 -42.7584 GPRESSAVG: 3578000 76.9153 -7.73159 -88.0615 -4.5038 -13.9392 -0.756382 -87.8804 -2.35564 -43.0322 TIMING: 3578000 CPU: 10709.9, 0.00310846/step Wall: 10709.9, 0.00310846/step, 1.22784 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: 3578000 779.1651 2085.6632 1942.1655 100.8578 -205956.3054 17672.1919 0.0000 0.0000 34246.3166 -149129.9455 299.0816 -183376.2621 -149032.4377 299.5056 -31.9634 -2.5347 556732.1669 6.5846 6.6479 PRESSURE: 3578200 -34.6419 -184.78 -84.559 -184.78 -11.2099 -45.1774 -84.558 -45.1751 -56.123 GPRESSURE: 3578200 -16.6048 -146.069 -58.7797 -180.649 -27.7164 -46.0003 -115.643 -160.246 44.313 PRESSAVG: 3578200 36.0808 7.60289 -38.0617 7.60291 -19.0627 -24.8363 -38.0617 -24.8362 0.182582 GPRESSAVG: 3578200 37.8001 8.0019 -36.7866 8.93564 -20.4586 -25.2342 -37.3574 -25.4259 -0.132886 TIMING: 3578200 CPU: 10710.6, 0.00311522/step Wall: 10710.6, 0.00311522/step, 1.23034 hours remaining, 206.148438 MB of memory in use. ENERGY: 3578200 734.8627 2096.2465 1968.2081 115.1123 -206043.2862 17632.6649 0.0000 0.0000 34354.5576 -149141.6342 300.0269 -183496.1918 -149043.9833 299.6035 -33.9916 -0.0028 557567.0224 5.7335 5.7362 PRESSURE: 3578400 252.857 -6.52994 61.145 -6.53073 150.664 -56.4009 61.145 -56.4007 41.5891 GPRESSURE: 3578400 317.14 -7.10653 96.7023 -28.3856 209.345 9.09218 53.477 -81.1583 10.4093 PRESSAVG: 3578400 13.2567 -8.1054 -29.1097 -8.10549 -17.7853 -23.2526 -29.1096 -23.2526 -16.6187 GPRESSAVG: 3578400 12.6121 -8.91345 -29.75 -8.54471 -17.4802 -23.2473 -30.4926 -22.8149 -16.4429 TIMING: 3578400 CPU: 10711.2, 0.00307231/step Wall: 10711.2, 0.00307231/step, 1.21322 hours remaining, 206.148438 MB of memory in use. ENERGY: 3578400 756.5974 2073.6016 1953.3578 120.4491 -206278.5708 17951.9745 0.0000 0.0000 34437.7623 -148984.8281 300.7535 -183422.5904 -148901.9266 299.8770 148.3701 178.9646 556677.3478 -7.0491 -7.1037 PRESSURE: 3578600 112.715 54.5589 151.675 54.5585 -331.069 26.6733 151.675 26.6751 -110.017 GPRESSURE: 3578600 105.862 -42.8147 103.556 107.928 -311.197 22.5644 129.76 -33.5045 -25.5676 PRESSAVG: 3578600 33.1935 23.1551 -6.22533 23.1551 -53.2772 14.371 -6.22528 14.3709 26.5243 GPRESSAVG: 3578600 33.4004 23.3134 -9.1634 23.8367 -53.041 13.3192 -3.88671 15.2624 25.8044 TIMING: 3578600 CPU: 10711.8, 0.00306299/step Wall: 10711.8, 0.00306299/step, 1.20937 hours remaining, 206.148438 MB of memory in use. ENERGY: 3578600 774.1429 2090.6911 1962.1750 116.6972 -206124.2625 17622.5478 0.0000 0.0000 34352.7216 -149205.2869 300.0109 -183558.0085 -149103.5256 299.8162 -109.4570 -76.9674 555647.8039 2.1468 2.0546 PRESSURE: 3578800 -234.007 78.9975 175 78.9981 -335.35 52.5827 174.999 52.5837 -257.856 GPRESSURE: 3578800 -193.169 80.53 148.203 194.649 -284.297 167.22 217.642 -91.0954 -238.993 PRESSAVG: 3578800 11.9199 34.1392 51.8887 34.1393 20.2311 25.67 51.8887 25.6699 -77.5695 GPRESSAVG: 3578800 12.1335 35.5858 53.1388 31.3896 20.0014 26.6275 50.2012 25.2451 -77.7348 TIMING: 3578800 CPU: 10712.4, 0.00308988/step Wall: 10712.4, 0.00308988/step, 1.21981 hours remaining, 206.148438 MB of memory in use. ENERGY: 3578800 756.1565 2088.6116 1971.6959 118.1020 -205747.3787 17189.4322 0.0000 0.0000 34394.7963 -149228.5843 300.3783 -183623.3806 -149134.7971 299.7167 -275.7377 -238.8199 556048.5602 -15.1395 -15.2000 PRESSURE: 3579000 67.9752 -133.176 -157.955 -133.176 110.691 -13.3739 -157.954 -13.3743 195.306 GPRESSURE: 3579000 151.129 -113.915 -229.607 -153.578 152.352 15.5939 -26.4641 9.51599 173.595 PRESSAVG: 3579000 8.51461 -0.669729 48.9909 -0.669772 -33.4726 14.6357 48.9908 14.6357 86.5133 GPRESSAVG: 3579000 8.45032 -1.46529 49.4299 -0.521244 -34.1409 13.7703 50.8448 15.6564 87.275 TIMING: 3579000 CPU: 10713, 0.0030798/step Wall: 10713, 0.0030798/step, 1.21567 hours remaining, 206.148438 MB of memory in use. ENERGY: 3579000 727.1217 2065.8441 1964.9688 118.7719 -206229.2636 17872.4485 0.0000 0.0000 34312.8716 -149167.2371 299.6628 -183480.1087 -149070.6533 300.0915 124.6572 159.0250 555456.2635 20.5184 20.5281 PRESSURE: 3579200 49.4125 -14.7713 -16.3432 -14.7716 -155.22 -139.374 -16.3421 -139.374 -32.5001 GPRESSURE: 3579200 -30.6039 55.9518 90.4558 -81.5406 -60.8305 -12.4746 -117.333 -149.804 54.6835 PRESSAVG: 3579200 -14.3025 20.9802 19.9436 20.9802 -12.1505 -5.49748 19.9437 -5.49747 13.1264 GPRESSAVG: 3579200 -14.6179 20.8349 21.6795 21.436 -12.051 -2.75741 18.0508 -6.74685 13.4322 TIMING: 3579200 CPU: 10713.6, 0.00307108/step Wall: 10713.6, 0.00307108/step, 1.21205 hours remaining, 206.148438 MB of memory in use. ENERGY: 3579200 746.4146 2106.8267 1976.9560 100.7084 -206207.9059 17705.2295 0.0000 0.0000 34346.9393 -149224.8314 299.9604 -183571.7707 -149130.9116 299.5935 -46.1024 -12.2503 554979.5114 -4.4422 -4.4122 PRESSURE: 3579400 -312.925 -59.9717 5.95576 -59.9717 -229.268 -14.5344 5.95624 -14.534 -134.619 GPRESSURE: 3579400 -309.213 -19.0696 -71.4011 -114.421 -149.814 -27.5686 19.4297 -69.3628 -114.812 PRESSAVG: 3579400 -10.2348 14.8829 41.7544 14.8829 18.1015 1.59134 41.7543 1.59127 -21.7201 GPRESSAVG: 3579400 -8.68155 15.7223 39.2963 15.5328 17.4472 0.582171 42.8397 3.87252 -22.4791 TIMING: 3579400 CPU: 10714.2, 0.0030716/step Wall: 10714.2, 0.0030716/step, 1.21209 hours remaining, 206.148438 MB of memory in use. ENERGY: 3579400 740.7596 2050.5550 1958.1859 109.9244 -205822.5940 17400.9581 0.0000 0.0000 34255.2797 -149306.9313 299.1599 -183562.2110 -149207.9162 299.2819 -225.6038 -191.2796 557566.7741 -4.6178 -4.5711 PRESSURE: 3579600 -68.81 -65.3323 -58.3854 -65.3314 -142.13 -49.9719 -58.3862 -49.9702 -40.3117 GPRESSURE: 3579600 -19.7189 -68.6267 -21.7185 -62.9353 -101.158 -113.763 -56.4831 0.738579 -27.7653 PRESSAVG: 3579600 -29.2687 -12.4034 52.3689 -12.4035 -26.5293 -32.732 52.3689 -32.732 18.8227 GPRESSAVG: 3579600 -31.6313 -12.8757 52.73 -13.0467 -25.5408 -33.0131 51.2088 -34.481 20.1386 TIMING: 3579600 CPU: 10714.9, 0.00311/step Wall: 10714.9, 0.00311/step, 1.22707 hours remaining, 206.148438 MB of memory in use. ENERGY: 3579600 745.0909 2090.4120 1931.5638 122.3951 -206340.4660 17913.1613 0.0000 0.0000 34298.8128 -149239.0300 299.5401 -183537.8428 -149136.3858 299.7159 -83.7504 -49.5475 558735.1033 -12.3251 -12.3445 PRESSURE: 3579800 260.167 -120.157 -70.8182 -120.157 31.9839 -31.5848 -70.8174 -31.584 60.1014 GPRESSURE: 3579800 234.043 -108.788 -26.8636 -136.584 81.8724 2.89541 -48.0204 19.5924 129.108 PRESSAVG: 3579800 45.1289 -33.6951 7.58734 -33.6952 56.7486 47.8922 7.58728 47.8921 -70.258 GPRESSAVG: 3579800 46.2652 -34.6838 8.33197 -33.0185 56.6127 48.3016 8.5648 47.1635 -71.0852 TIMING: 3579800 CPU: 10715.5, 0.00310697/step Wall: 10715.5, 0.00310697/step, 1.2257 hours remaining, 206.148438 MB of memory in use. ENERGY: 3579800 735.3126 2087.0838 1947.8230 113.7456 -206253.8853 17857.4733 0.0000 0.0000 34304.8521 -149207.5949 299.5928 -183512.4470 -149100.0849 298.5557 117.4175 148.3412 557550.1822 10.5398 10.5976 PRESSURE: 3580000 99.8884 -59.7575 -37.2594 -59.7575 81.1072 20.1259 -37.2583 20.1263 -55.5018 GPRESSURE: 3580000 82.532 -83.9875 40.6171 -68.6382 183.236 -74.0086 13.9758 12.3756 -46.4699 PRESSAVG: 3580000 19.1921 -24.6823 23.401 -24.6822 17.1324 -30.7828 23.401 -30.7827 -23.2489 GPRESSAVG: 3580000 20.1857 -27.1945 22.3057 -25.383 16.5768 -31.4672 22.2672 -30.0115 -23.386 TIMING: 3580000 CPU: 10716.1, 0.00306459/step Wall: 10716.1, 0.00306459/step, 1.20881 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: 3580000 709.3471 2033.0336 1960.1676 119.9120 -206213.3856 17796.4374 0.0000 0.0000 34375.4478 -149219.0401 300.2093 -183594.4879 -149121.8145 299.1781 41.8313 73.0994 557275.6306 4.3585 4.4588 PRESSURE: 3580200 124.26 -72.0449 -43.0158 -72.0446 103.323 56.8537 -43.0149 56.8507 -133.958 GPRESSURE: 3580200 130.497 -22.6223 49.1973 -34.285 110.202 110.448 -17.3151 63.8027 -52.6375 PRESSAVG: 3580200 -13.653 -23.0096 -0.793374 -23.0096 9.78188 -7.0248 -0.793401 -7.02488 -62.5939 GPRESSAVG: 3580200 -12.7925 -19.9594 0.811587 -22.3887 9.84766 -8.35632 -0.969193 -5.99022 -63.0597 TIMING: 3580200 CPU: 10716.7, 0.00307007/step Wall: 10716.7, 0.00307007/step, 1.2108 hours remaining, 206.148438 MB of memory in use. ENERGY: 3580200 766.4263 2048.2930 1928.8482 126.0014 -206640.8643 18029.1190 0.0000 0.0000 34372.9700 -149369.2064 300.1877 -183742.1764 -149272.2459 298.9026 31.2082 62.6870 556869.7559 -22.1550 -22.0015 LDB: ============= START OF LOAD BALANCING ============== 10720.1 LDB: ============== END OF LOAD BALANCING =============== 10720.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10720.2 LDB: ============= START OF LOAD BALANCING ============== 10720.5 LDB: Largest compute 4820 load 0.023981 is 20.3% of average load 0.118107 LDB: Average compute 0.001727 is 1.5% of average load 0.118107 LDB: TIME 10720.5 LOAD: AVG 0.118107 MAX 0.217728 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 10720.5 LOAD: AVG 0.118107 MAX 0.217728 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.949 MB LDB: TIME 10720.5 LOAD: AVG 0.118107 MAX 0.217728 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.949 MB LDB: ============== END OF LOAD BALANCING =============== 10720.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10720.5 PRESSURE: 3580400 -162.069 140.549 68.9238 140.547 279.014 37.1002 68.9242 37.1008 -26.2516 GPRESSURE: 3580400 -155.371 108.395 26.6486 204.152 338.494 9.37553 154.646 31.1682 -8.74454 PRESSAVG: 3580400 -53.9097 -19.4593 26.1744 -19.4593 40.4504 5.39879 26.1744 5.39873 26.5184 GPRESSAVG: 3580400 -53.9981 -20.0741 25.3234 -19.0125 41.5769 7.527 26.5456 6.04643 25.8377 TIMING: 3580400 CPU: 10717.3, 0.00312276/step Wall: 10717.3, 0.00312276/step, 1.23141 hours remaining, 206.515625 MB of memory in use. ENERGY: 3580400 735.7410 2047.1000 1950.0905 107.6524 -206110.9275 17873.2524 0.0000 0.0000 34235.5079 -149161.5833 298.9872 -183397.0912 -149057.8186 299.0941 30.2313 58.1261 557711.2994 4.3530 4.4722 PRESSURE: 3580600 -91.1107 197.413 91.323 197.412 107.97 -2.90309 91.3227 -2.90389 2.75552 GPRESSURE: 3580600 -54.1541 221.562 153.212 181.057 123.699 68.7443 137.328 -62.8339 60.0256 PRESSAVG: 3580600 -39.789 -28.4428 11.4345 -28.4428 30.4407 -0.134692 11.4345 -0.134635 -10.5182 GPRESSAVG: 3580600 -40.8622 -28.5765 11.8398 -29.3389 30.609 0.541175 12.6346 -2.40053 -9.15325 TIMING: 3580600 CPU: 10718, 0.00308822/step Wall: 10718, 0.00308822/step, 1.21762 hours remaining, 206.660156 MB of memory in use. ENERGY: 3580600 728.0674 2062.1429 1941.2400 105.5942 -206026.8950 17788.1748 0.0000 0.0000 34216.8389 -149184.8368 298.8242 -183401.6756 -149092.2612 298.8999 6.5383 43.1901 557900.8890 -6.6222 -6.4688 PRESSURE: 3580800 -195.704 43.9369 75.8185 43.9365 130.616 74.8807 75.8185 74.8818 54.5963 GPRESSURE: 3580800 -122.645 28.6043 99.3112 129.535 138.608 128.279 85.1992 58.8927 70.7204 PRESSAVG: 3580800 -57.1148 -21.5468 0.55827 -21.5467 132.131 -7.41876 0.558221 -7.41882 -91.4443 GPRESSAVG: 3580800 -56.757 -20.7267 -1.69088 -20.794 131.55 -8.30488 -0.991488 -7.22282 -90.5717 TIMING: 3580800 CPU: 10718.6, 0.00306497/step Wall: 10718.6, 0.00306497/step, 1.20828 hours remaining, 206.660156 MB of memory in use. ENERGY: 3580800 715.8611 2048.3973 1938.5007 101.1491 -206444.2501 18124.9212 0.0000 0.0000 34329.6369 -149185.7837 299.8093 -183515.4207 -149085.4948 299.1499 -3.4971 28.8943 558653.9723 -5.4759 -5.2594 PRESSURE: 3581000 -0.252535 -67.5343 -86.7549 -67.5336 -35.78 -125.279 -86.7552 -125.277 -103.857 GPRESSURE: 3581000 43.8632 15.2883 -164.978 -142.988 -15.5883 -104.709 -50.6525 -111.733 -63.5192 PRESSAVG: 3581000 13.498 -9.59267 -2.23096 -9.59271 46.7321 -44.2423 -2.23095 -44.2423 -10.7961 GPRESSAVG: 3581000 13.2288 -10.6684 -0.753629 -11.0248 47.402 -45.5044 -1.65981 -42.0199 -11.1874 TIMING: 3581000 CPU: 10719.2, 0.00309315/step Wall: 10719.2, 0.00309315/step, 1.21922 hours remaining, 206.660156 MB of memory in use. ENERGY: 3581000 744.5425 2101.5731 1940.7366 111.8093 -206009.3597 17793.1694 0.0000 0.0000 34140.2650 -149177.2639 298.1554 -183317.5288 -149081.1156 299.6715 -46.6300 -11.7481 557690.5968 16.4780 16.4811 PRESSURE: 3581200 -212.415 -198.499 -156.266 -198.499 -346.449 -5.00813 -156.265 -5.00952 -244.658 GPRESSURE: 3581200 -202.498 -210.019 -81.1367 -153.025 -304.464 0.440604 -252.059 -21.6472 -195.18 PRESSAVG: 3581200 56.9846 -63.3196 -37.4632 -63.3197 -12.7198 -46.5492 -37.4632 -46.5492 -68.5985 GPRESSAVG: 3581200 57.5936 -62.3792 -37.6721 -63.7072 -12.8356 -45.8494 -39.2402 -49.1862 -69.0757 TIMING: 3581200 CPU: 10719.8, 0.00309544/step Wall: 10719.8, 0.00309544/step, 1.21995 hours remaining, 206.660156 MB of memory in use. ENERGY: 3581200 732.8559 2065.9990 1925.5392 120.1865 -205608.0506 17240.6353 0.0000 0.0000 34399.3092 -149123.5256 300.4177 -183522.8348 -149019.9930 299.3899 -267.8407 -234.0474 558580.2387 -8.1112 -8.1059 PRESSURE: 3581400 -89.2635 -16.2759 111.61 -16.2758 -50.4893 14.8197 111.61 14.8196 -75.2106 GPRESSURE: 3581400 -75.2521 3.15922 28.2546 -11.2074 -44.6556 86.231 252.108 -34.1137 -7.27921 PRESSAVG: 3581400 -56.9145 -44.9361 -38.9237 -44.9362 53.1741 17.1608 -38.9237 17.1608 -19.0889 GPRESSAVG: 3581400 -56.3909 -46.104 -38.8862 -45.4616 53.1881 18.049 -37.5371 16.9768 -19.4466 TIMING: 3581400 CPU: 10720.4, 0.00310769/step Wall: 10720.4, 0.00310769/step, 1.2246 hours remaining, 206.660156 MB of memory in use. ENERGY: 3581400 742.0286 2087.9760 1932.1857 107.6091 -206146.4371 17699.0286 0.0000 0.0000 34392.5268 -149185.0823 300.3585 -183577.6091 -149086.3150 299.3871 -71.6544 -42.3956 558432.0476 -7.6098 -7.5498 PRESSURE: 3581600 -215.874 -28.9347 -98.5553 -28.9344 2.28528 86.7865 -98.5561 86.7861 97.2569 GPRESSURE: 3581600 -169.115 -19.614 -94.4912 -23.9281 71.938 120.429 2.92074 18.1365 70.2366 PRESSAVG: 3581600 -58.6488 -11.6485 -34.977 -11.6485 20.2754 -29.3206 -34.9769 -29.3206 86.9428 GPRESSAVG: 3581600 -60.3068 -11.6056 -35.9764 -10.2838 21.2155 -28.266 -32.2113 -27.1661 87.9762 TIMING: 3581600 CPU: 10721, 0.00307986/step Wall: 10721, 0.00307986/step, 1.21346 hours remaining, 206.660156 MB of memory in use. ENERGY: 3581600 738.0979 2061.4299 1936.1737 111.3622 -206302.1558 17715.9474 0.0000 0.0000 34413.1116 -149326.0330 300.5383 -183739.1446 -149228.3958 299.9847 -38.7773 -8.9801 557576.7689 16.1898 16.2950 PRESSURE: 3581800 53.5226 28.52 50.4334 28.5205 138.383 -69.7012 50.4341 -69.7013 68.6141 GPRESSURE: 3581800 42.2457 -0.869814 37.1133 25.7716 168.563 -44.5176 81.9793 -167.184 141.576 PRESSAVG: 3581800 -24.0709 -4.68434 26.0684 -4.68437 56.8169 -45.3824 26.0684 -45.3824 -0.629434 GPRESSAVG: 3581800 -23.5738 -3.26405 25.9453 -5.70931 56.3478 -47.4577 23.8452 -46.9364 -0.737359 TIMING: 3581800 CPU: 10721.7, 0.00305273/step Wall: 10721.7, 0.00305273/step, 1.20261 hours remaining, 206.660156 MB of memory in use. ENERGY: 3581800 730.7279 2051.3763 1929.7195 118.0524 -206456.9360 18025.1765 0.0000 0.0000 34496.8539 -149105.0294 301.2696 -183601.8833 -149007.7465 299.5507 86.8398 117.4618 557922.2232 10.7055 10.6789 PRESSURE: 3582000 164.427 1.31499 -92.5928 1.31576 137.305 -39.7913 -92.5933 -39.7917 157.149 GPRESSURE: 3582000 199.741 -18.3008 -41.0411 -10.5939 175.003 -3.8061 -172.05 28.7769 171.158 PRESSAVG: 3582000 -61.2783 -11.9771 -1.28895 -11.977 62.9336 21.6924 -1.28886 21.6922 39.364 GPRESSAVG: 3582000 -60.4003 -13.5109 -0.727228 -11.4232 61.9071 19.8584 -2.03121 24.7952 39.5004 TIMING: 3582000 CPU: 10722.3, 0.00307441/step Wall: 10722.3, 0.00307441/step, 1.21098 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: 3582000 709.0254 2058.6971 1970.2785 114.2851 -206091.8196 17949.3190 0.0000 0.0000 34200.6786 -149089.5360 298.6830 -183290.2145 -148991.7741 299.6083 152.9602 181.9674 557509.9893 13.6731 13.6691 PRESSURE: 3582200 51.54 -80.0848 -103.078 -80.0839 -194.502 -77.9133 -103.078 -77.9128 -174.129 GPRESSURE: 3582200 16.2545 -73.703 -118.475 -37.1332 -154.35 -66.8339 -164.145 -73.6298 -88.5272 PRESSAVG: 3582200 23.1112 -22.5078 -30.5801 -22.5078 28.8462 -11.3798 -30.58 -11.3798 -60.5631 GPRESSAVG: 3582200 22.0056 -20.6983 -29.1247 -22.7823 29.9607 -10.463 -31.5931 -12.7877 -60.3132 TIMING: 3582200 CPU: 10722.9, 0.00309545/step Wall: 10722.9, 0.00309545/step, 1.21909 hours remaining, 206.660156 MB of memory in use. ENERGY: 3582200 744.9391 2032.5084 1951.7837 104.2539 -206147.9600 17661.1480 0.0000 0.0000 34470.5220 -149182.8049 301.0396 -183653.3269 -149089.5737 299.9188 -105.6971 -75.5407 557492.2326 -2.8686 -2.7823 PRESSURE: 3582400 -46.4861 -39.7598 -42.5088 -39.7596 94.4968 -141.013 -42.5089 -141.014 13.4595 GPRESSURE: 3582400 -33.6784 -4.75721 -80.6439 -41.3415 121.804 -111.831 39.1264 -237.934 65.4446 PRESSAVG: 3582400 24.5017 -7.92746 -55.5987 -7.92759 16.2371 -8.28826 -55.5988 -8.28825 -17.5486 GPRESSAVG: 3582400 25.7814 -8.42286 -57.0828 -6.72509 16.1498 -6.09334 -52.8356 -10 -18.3546 TIMING: 3582400 CPU: 10723.5, 0.00307888/step Wall: 10723.5, 0.00307888/step, 1.2124 hours remaining, 206.660156 MB of memory in use. ENERGY: 3582400 750.1486 2060.9044 1931.3610 112.7203 -206706.1580 18009.0204 0.0000 0.0000 34494.5907 -149347.4126 301.2498 -183842.0033 -149249.3421 298.9891 20.4901 51.1902 557516.9577 7.7300 7.8589 PRESSURE: 3582600 -26.8109 -66.4133 -139.253 -66.4134 -153.025 -78.6932 -139.253 -78.6939 -127.302 GPRESSURE: 3582600 -59.8317 -110.903 -80.8399 -71.0009 -99.4975 -74.5569 -61.7268 -129.235 -58.7502 PRESSAVG: 3582600 -18.0881 -40.7385 -19.0547 -40.7384 18.6707 -37.4486 -19.0547 -37.4486 19.0017 GPRESSAVG: 3582600 -18.5683 -39.8466 -17.4101 -41.1888 18.7392 -40.7707 -20.9454 -35.9855 19.4571 TIMING: 3582600 CPU: 10724.1, 0.00306061/step Wall: 10724.1, 0.00306061/step, 1.20503 hours remaining, 206.660156 MB of memory in use. ENERGY: 3582600 738.0997 2034.4848 1940.8400 105.5656 -206301.7547 17772.9378 0.0000 0.0000 34164.4936 -149545.3333 298.3670 -183709.8268 -149445.3056 298.5616 -102.3795 -72.6932 557845.2130 6.5281 6.5427 PRESSURE: 3582800 -118.842 19.6639 29.5184 19.663 -197.942 -128.019 29.5187 -128.02 127.464 GPRESSURE: 3582800 -67.8962 43.6394 16.4826 -8.95229 -140.7 -107.494 -56.5867 -100.155 114.164 PRESSAVG: 3582800 -49.1867 3.76662 -22.8192 3.76659 14.1656 -36.5259 -22.8193 -36.526 72.494 GPRESSAVG: 3582800 -49.2136 2.57162 -23.9473 3.12477 15.087 -34.92 -21.5537 -38.0293 71.4616 TIMING: 3582800 CPU: 10724.7, 0.00307483/step Wall: 10724.7, 0.00307483/step, 1.21046 hours remaining, 206.660156 MB of memory in use. ENERGY: 3582800 729.1940 2052.9741 1894.7130 117.4314 -206180.8822 17748.1603 0.0000 0.0000 34212.5571 -149425.8523 298.7868 -183638.4094 -149323.1730 298.1732 -63.1068 -31.4775 558222.6212 12.4910 12.4450 PRESSURE: 3583000 -54.0977 -204.189 79.3695 -204.189 -268.673 106.422 79.3695 106.423 57.9715 GPRESSURE: 3583000 -44.6802 -203.166 -29.1087 -165.054 -206.577 187.574 146.904 49.0721 69.7158 PRESSAVG: 3583000 14.8329 -30.6407 -8.095 -30.6407 13.8501 15.3949 -8.09499 15.3949 -16.1528 GPRESSAVG: 3583000 15.1778 -29.366 -7.65447 -31.9875 11.8877 14.1314 -9.47818 16.7755 -15.1553 TIMING: 3583000 CPU: 10725.3, 0.00307993/step Wall: 10725.3, 0.00307993/step, 1.2123 hours remaining, 206.660156 MB of memory in use. ENERGY: 3583000 745.1256 2089.3173 1911.2828 109.4554 -206547.4126 17894.9508 0.0000 0.0000 34177.3732 -149619.9075 298.4795 -183797.2807 -149529.8322 297.5384 -88.2663 -60.5139 557697.5525 4.1767 3.9701 PRESSURE: 3583200 49.8296 -7.75246 -17.752 -7.75127 -137.357 -199.677 -17.752 -199.676 -177.429 GPRESSURE: 3583200 43.2889 -25.3766 -35.0978 -43.2239 -66.3571 -169.096 -43.91 -188.414 -138.828 PRESSAVG: 3583200 -52.127 -43.5444 -21.1465 -43.5443 -53.9716 -17.1463 -21.1466 -17.1463 -8.03608 GPRESSAVG: 3583200 -52.5981 -44.1083 -21.3027 -43.3159 -53.9255 -16.9664 -19.5223 -17.821 -7.50089 TIMING: 3583200 CPU: 10726, 0.00306859/step Wall: 10726, 0.00306859/step, 1.20766 hours remaining, 206.660156 MB of memory in use. ENERGY: 3583200 736.0832 2076.5804 1948.8183 124.5214 -206274.8457 17774.2043 0.0000 0.0000 34091.0227 -149523.6154 297.7254 -183614.6381 -149424.0022 298.3329 -88.3187 -53.9656 558283.3292 -38.0449 -38.0081 PRESSURE: 3583400 146.868 -123.333 39.1916 -123.332 -116.11 -4.79028 39.192 -4.78946 -239.612 GPRESSURE: 3583400 99.2981 -51.7405 -19.314 -152.02 -44.8661 29.7473 55.8605 0.944694 -163.698 PRESSAVG: 3583400 67.3993 17.9635 -15.6836 17.9635 -48.8008 -10.114 -15.6836 -10.114 -31.2087 GPRESSAVG: 3583400 66.9897 17.4798 -13.9527 18.6664 -48.4246 -10.9158 -15.7495 -9.99139 -30.6601 TIMING: 3583400 CPU: 10726.6, 0.00305293/step Wall: 10726.6, 0.00305293/step, 1.20133 hours remaining, 206.660156 MB of memory in use. ENERGY: 3583400 736.9400 2104.3538 1917.7562 133.0493 -206600.2717 17855.2310 0.0000 0.0000 34345.5885 -149507.3530 299.9486 -183852.9416 -149403.1604 298.2048 -69.6179 -36.4219 557114.6559 -4.2034 -4.0317 PRESSURE: 3583600 -66.914 136.333 20.9737 136.333 -66.0179 -27.0632 20.9739 -27.0639 -254.731 GPRESSURE: 3583600 -24.4098 157.705 -14.1701 141.517 -46.7124 5.60271 -29.0487 -24.2637 -213.161 PRESSAVG: 3583600 48.6482 -57.3503 14.2027 -57.3502 -35.3495 -18.5186 14.2027 -18.5188 -73.3459 GPRESSAVG: 3583600 49.8158 -57.0585 11.3364 -58.8093 -35.6609 -18.289 13.2953 -19.7863 -74.1131 TIMING: 3583600 CPU: 10727.2, 0.00307408/step Wall: 10727.2, 0.00307408/step, 1.20948 hours remaining, 206.660156 MB of memory in use. ENERGY: 3583600 754.8423 2082.7371 1943.6301 111.9930 -206263.8286 17768.9541 0.0000 0.0000 34192.8173 -149408.8546 298.6144 -183601.6719 -149307.4289 298.2003 -129.2208 -94.7609 558963.2405 -20.0157 -19.9861 PRESSURE: 3583800 -120.438 202.969 128.272 202.967 -241.471 76.4635 128.273 76.4631 54.5275 GPRESSURE: 3583800 -130.867 165.045 150.318 160.341 -141.311 162.058 207.455 94.4438 48.1543 PRESSAVG: 3583800 44.5934 28.9473 35.962 28.9472 -6.39028 -15.179 35.962 -15.1789 -11.8397 GPRESSAVG: 3583800 44.5544 30.1653 37.2202 28.5015 -5.09413 -14.8317 37.3396 -12.6117 -12.7115 TIMING: 3583800 CPU: 10727.8, 0.00308949/step Wall: 10727.8, 0.00308949/step, 1.21537 hours remaining, 206.660156 MB of memory in use. ENERGY: 3583800 720.3648 2163.6538 1945.9048 122.0666 -206416.1457 17638.2836 0.0000 0.0000 34332.5193 -149493.3527 299.8344 -183825.8720 -149395.2160 298.3417 -102.4606 -74.6745 557620.1912 8.7878 8.9163 PRESSURE: 3584000 -226.157 37.9454 14.9317 37.9455 -330.4 40.4809 14.9312 40.4794 -210.022 GPRESSURE: 3584000 -178.029 111.955 4.6446 -4.44389 -305.73 117.097 42.2255 -45.9032 -189.502 PRESSAVG: 3584000 -12.659 5.86968 34.8985 5.86969 -44.6655 4.87523 34.8986 4.87519 52.9821 GPRESSAVG: 3584000 -13.4839 4.29346 34.3619 7.75852 -44.7994 7.50518 34.1714 2.21477 53.6827 TIMING: 3584000 CPU: 10728.4, 0.00308561/step Wall: 10728.4, 0.00308561/step, 1.21367 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: 3584000 757.6305 2085.9850 1979.0989 108.9240 -206363.7138 17602.5099 0.0000 0.0000 34381.2531 -149448.3125 300.2600 -183829.5656 -149354.7301 299.4612 -255.5262 -224.4203 557292.8032 -1.4475 -1.5335 PRESSURE: 3584200 -176.896 120.138 -14.0579 120.139 -44.5738 -91.3342 -14.0589 -91.3329 -158.636 GPRESSURE: 3584200 -136.115 80.946 -4.02162 76.063 -7.8465 -42.5177 46.3527 -102.916 -141.619 PRESSAVG: 3584200 -19.6623 53.8829 -5.4294 53.8829 5.07742 5.19731 -5.42945 5.19727 -9.21509 GPRESSAVG: 3584200 -19.3623 52.3868 -4.15268 54.4039 4.03361 3.273 -4.20303 5.24499 -8.74835 TIMING: 3584200 CPU: 10729, 0.00304211/step Wall: 10729, 0.00304211/step, 1.19639 hours remaining, 206.660156 MB of memory in use. ENERGY: 3584200 759.6791 2100.9020 1934.8810 115.0097 -206570.4512 17745.6811 0.0000 0.0000 34393.4708 -149520.8275 300.3667 -183914.2983 -149426.0947 298.6058 -126.7016 -95.1935 556785.7258 -7.9333 -8.0257 LDB: ============= START OF LOAD BALANCING ============== 10732.5 LDB: ============== END OF LOAD BALANCING =============== 10732.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10732.5 LDB: ============= START OF LOAD BALANCING ============== 10732.8 LDB: Largest compute 4820 load 0.024734 is 20.9% of average load 0.118179 LDB: Average compute 0.001720 is 1.5% of average load 0.118179 LDB: TIME 10732.8 LOAD: AVG 0.118179 MAX 0.223651 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 10732.8 LOAD: AVG 0.118179 MAX 0.223651 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: TIME 10732.8 LOAD: AVG 0.118179 MAX 0.223651 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: ============== END OF LOAD BALANCING =============== 10732.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10732.8 PRESSURE: 3584400 12.6986 236.349 13.4515 236.35 -177.162 106.791 13.4529 106.792 372.643 GPRESSURE: 3584400 92.4182 282.05 -66.1345 198.662 -159.647 169.103 29.4685 66.7166 376.786 PRESSAVG: 3584400 84.8883 -6.57498 -40.4701 -6.57509 -90.0422 49.4595 -40.4701 49.4594 42.2267 GPRESSAVG: 3584400 84.2991 -3.90603 -42.0753 -8.40966 -88.948 45.6928 -41.5004 51.8471 41.27 TIMING: 3584400 CPU: 10729.7, 0.0031395/step Wall: 10729.7, 0.0031395/step, 1.23452 hours remaining, 208.058594 MB of memory in use. ENERGY: 3584400 766.6278 2049.7106 1939.1642 120.9372 -206704.7736 18095.8139 0.0000 0.0000 34283.2690 -149449.2509 299.4043 -183732.5198 -149362.0293 298.6815 69.3930 103.1855 556543.9306 12.3576 12.2070 PRESSURE: 3584600 263.905 -6.23284 94.5202 -6.23269 -3.87098 53.6611 94.5201 53.6631 -62.3995 GPRESSURE: 3584600 318.411 22.1283 48.5367 -6.46229 -11.0048 18.9966 99.3677 50.5413 -24.3246 PRESSAVG: 3584600 68.5458 14.9574 -6.83296 14.9574 11.2326 -8.4189 -6.83294 -8.4188 -47.3035 GPRESSAVG: 3584600 68.4862 13.2107 -5.44651 15.8362 10.3933 -6.81717 -5.46302 -9.30481 -47.0089 TIMING: 3584600 CPU: 10730.3, 0.00306833/step Wall: 10730.3, 0.00306833/step, 1.20637 hours remaining, 208.261719 MB of memory in use. ENERGY: 3584600 785.0706 2123.7541 1955.0356 113.8802 -206594.4985 18017.6137 0.0000 0.0000 34205.6168 -149393.5276 298.7262 -183599.1444 -149301.8100 298.4463 65.8782 94.3606 556933.6374 10.8250 10.6235 PRESSURE: 3584800 261.239 156.061 -108.513 156.061 -11.6611 -140.916 -108.515 -140.915 167.467 GPRESSURE: 3584800 248.013 195.04 -138.518 162.064 1.4948 -130.692 -59.9857 -173.678 269.14 PRESSAVG: 3584800 27.9753 -8.26209 -35.0152 -8.26217 8.69852 -18.7169 -35.0152 -18.7168 1.05576 GPRESSAVG: 3584800 28.4108 -7.31186 -35.7084 -7.53632 8.98011 -17.5957 -33.8879 -21.6952 0.66168 TIMING: 3584800 CPU: 10730.9, 0.00305947/step Wall: 10730.9, 0.00305947/step, 1.20271 hours remaining, 208.261719 MB of memory in use. ENERGY: 3584800 770.4839 2063.0891 1951.5912 113.9836 -206305.3472 17984.7127 0.0000 0.0000 34152.2224 -149269.2642 298.2599 -183421.4867 -149173.8681 299.7460 139.0152 172.8824 556199.9551 12.5765 12.6842 PRESSURE: 3585000 -40.4415 -42.1691 -33.428 -42.168 -236.938 91.2871 -33.4299 91.2842 -270.162 GPRESSURE: 3585000 -64.7168 -11.1659 18.3753 -91.6649 -207.954 51.8867 -80.8474 103.701 -174.275 PRESSAVG: 3585000 33.2069 32.4999 -84.4411 32.5 13.5548 25.8435 -84.4412 25.8435 -42.6343 GPRESSAVG: 3585000 31.419 32.7651 -85.0838 29.8193 14.8807 26.9777 -85.4101 27.5355 -42.4617 TIMING: 3585000 CPU: 10731.5, 0.00307568/step Wall: 10731.5, 0.00307568/step, 1.20891 hours remaining, 208.261719 MB of memory in use. ENERGY: 3585000 786.1344 2138.2549 1941.6005 116.2965 -206143.1664 17659.0154 0.0000 0.0000 34260.4152 -149241.4494 299.2047 -183501.8646 -149142.4976 299.5249 -182.5138 -148.9819 559008.0676 1.3758 1.2794 PRESSURE: 3585200 -57.6992 -33.1551 -7.44776 -33.1554 98.8205 -26.596 -7.44877 -26.5964 110.458 GPRESSURE: 3585200 -34.4566 -74.3549 45.9962 -3.60465 144.623 15.9537 -72.0695 -48.8755 136.758 PRESSAVG: 3585200 48.3062 56.7702 21.161 56.7702 -6.31415 10.7808 21.161 10.7808 -10.0617 GPRESSAVG: 3585200 49.0861 53.206 20.1322 59.5954 -7.88779 11.9968 22.4889 10.6709 -9.9397 TIMING: 3585200 CPU: 10732.1, 0.00307635/step Wall: 10732.1, 0.00307635/step, 1.209 hours remaining, 208.261719 MB of memory in use. ENERGY: 3585200 785.8051 2120.1996 1945.1411 114.2952 -206322.6640 17955.7123 0.0000 0.0000 34240.9722 -149160.5385 299.0349 -183401.5107 -149067.2618 298.9869 50.5265 82.3083 556525.4750 10.6435 10.4195 PRESSURE: 3585400 -564.984 90.9477 -162.216 90.9462 -160.6 -74.9992 -162.216 -74.9981 -217.047 GPRESSURE: 3585400 -490.275 45.8328 -141.672 22.752 -148.652 -47.9819 -117.626 -144.401 -200.003 PRESSAVG: 3585400 32.8779 -0.721375 8.58634 -0.721356 -40.4 -42.145 8.58628 -42.1451 12.8857 GPRESSAVG: 3585400 32.4976 1.20095 11.3192 -1.77768 -40.2031 -44.8645 5.34665 -40.5337 13.3484 TIMING: 3585400 CPU: 10732.7, 0.00304854/step Wall: 10732.7, 0.00304854/step, 1.19791 hours remaining, 208.261719 MB of memory in use. ENERGY: 3585400 741.7361 2063.6999 1954.5318 100.0749 -205645.2396 17283.7323 0.0000 0.0000 34358.3201 -149143.1446 300.0598 -183501.4647 -149046.6944 299.6153 -314.2102 -279.6434 556686.3803 1.7879 1.8810 PRESSURE: 3585600 -188.35 1.63337 -78.7481 1.63426 -120.339 130.527 -78.7483 130.527 -134.685 GPRESSURE: 3585600 -156.675 1.84341 -23.4134 -16.2769 -60.2036 177.709 -121.143 100.791 -136.208 PRESSAVG: 3585600 -6.22347 22.8944 -1.33795 22.8944 21.4683 42.5625 -1.33795 42.5625 -13.6432 GPRESSAVG: 3585600 -6.5967 22.075 -0.886133 22.799 21.5227 43.7035 0.336356 41.6084 -13.4772 TIMING: 3585600 CPU: 10733.3, 0.00307664/step Wall: 10733.3, 0.00307664/step, 1.20878 hours remaining, 208.261719 MB of memory in use. ENERGY: 3585600 777.9553 2096.7746 1943.5777 107.2899 -205921.9747 17615.8155 0.0000 0.0000 34183.8131 -149196.7486 298.5357 -183380.5617 -149105.1939 299.3152 -147.7912 -117.6957 556393.7178 0.5339 0.4829 PRESSURE: 3585800 -215.369 77.6398 32.4785 77.6401 92.7773 1.78086 32.4791 1.78287 -17.9653 GPRESSURE: 3585800 -209.32 2.08825 -76.5926 77.1895 162.751 -6.2963 97.466 72.9512 -2.74172 PRESSAVG: 3585800 -45.4031 15.5115 12.0173 15.5115 -1.84568 -2.9944 12.0174 -2.99442 76.5034 GPRESSAVG: 3585800 -44.954 16.2235 13.4597 15.7051 -1.536 -3.20701 10.8794 -2.65516 75.6332 TIMING: 3585800 CPU: 10734, 0.00306959/step Wall: 10734, 0.00306959/step, 1.20584 hours remaining, 208.261719 MB of memory in use. ENERGY: 3585800 726.4913 2050.2570 1936.6383 120.7420 -206049.3155 17681.9126 0.0000 0.0000 34410.7819 -149122.4923 300.5179 -183533.2743 -149022.7387 299.8510 -46.8523 -16.4371 557507.4995 9.7516 9.7144 PRESSURE: 3586000 108.186 -51.5805 -182.837 -51.5802 -36.9928 -120.333 -182.837 -120.334 37.6 GPRESSURE: 3586000 140.334 70.8125 -147.123 -112.779 -31.3052 -28.4457 -224.71 -188.871 94.1131 PRESSAVG: 3586000 -32.9172 -11.2765 -38.6997 -11.2766 -22.6507 -9.65426 -38.6998 -9.65431 78.4129 GPRESSAVG: 3586000 -32.6229 -9.02262 -40.5147 -12.4376 -23.6896 -11.0938 -38.3663 -9.23152 78.7806 TIMING: 3586000 CPU: 10734.6, 0.00306751/step Wall: 10734.6, 0.00306751/step, 1.20485 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: 3586000 728.7254 2114.3887 1962.9456 115.4562 -206246.1612 17829.0645 0.0000 0.0000 34302.0636 -149193.5173 299.5685 -183495.5809 -149095.6337 298.7919 36.2645 67.7139 557304.3897 7.6150 7.4894 PRESSURE: 3586200 43.458 197.639 -55.4798 197.638 -270.787 -25.0814 -55.4789 -25.0816 -110.476 GPRESSURE: 3586200 92.1252 224.108 -130.438 193.058 -244.796 -120.649 5.23621 26.5027 -83.8411 PRESSAVG: 3586200 9.64985 7.80026 -12.608 7.80014 -48.5702 2.86999 -12.608 2.86992 34.7131 GPRESSAVG: 3586200 9.00618 6.75855 -11.725 7.88656 -47.3535 3.43804 -12.4638 2.656 34.0114 TIMING: 3586200 CPU: 10735.2, 0.00303098/step Wall: 10735.2, 0.00303098/step, 1.19033 hours remaining, 208.261719 MB of memory in use. ENERGY: 3586200 776.1275 2098.9906 1910.3465 112.2171 -206177.2394 17956.1938 0.0000 0.0000 34312.2098 -149011.1542 299.6571 -183323.3640 -148919.7022 299.6492 -112.6017 -78.8373 559211.8089 -1.4024 -1.4453 PRESSURE: 3586400 -169.265 -50.028 -75.0738 -50.0274 -198.45 54.1809 -75.0739 54.1808 82.5112 GPRESSURE: 3586400 -155.31 -22.3549 -5.18801 -79.7353 -117.991 42.8777 -101.099 86.6 73.3713 PRESSAVG: 3586400 43.0297 -10.9069 -2.25055 -10.9069 -65.3246 -8.57167 -2.25054 -8.57155 -8.99355 GPRESSAVG: 3586400 43.5035 -10.4856 -1.88887 -11.0814 -66.3888 -7.47836 -3.34931 -8.90468 -8.44274 TIMING: 3586400 CPU: 10735.8, 0.00301413/step Wall: 10735.8, 0.00301413/step, 1.18355 hours remaining, 208.261719 MB of memory in use. ENERGY: 3586400 751.7915 2068.8132 1937.8766 113.4143 -205767.4574 17565.5179 0.0000 0.0000 34224.8866 -149105.1573 298.8944 -183330.0439 -149011.8874 300.4382 -95.0679 -66.6430 558522.7033 -10.4295 -10.4427 PRESSURE: 3586600 -12.3979 -100.898 47.4944 -100.897 -186.161 107.614 47.4943 107.614 -34.3767 GPRESSURE: 3586600 -38.6763 -85.3414 -10.3989 -83.9324 -154.243 125.729 -0.230649 78.8902 38.8498 PRESSAVG: 3586600 18.9393 2.14794 8.1619 2.14786 -53.4647 2.54428 8.16193 2.54413 70.025 GPRESSAVG: 3586600 19.6336 1.38322 4.83217 2.48276 -54.4256 1.75222 12.2353 3.00872 70.3226 TIMING: 3586600 CPU: 10736.4, 0.00300781/step Wall: 10736.4, 0.00300781/step, 1.1809 hours remaining, 208.261719 MB of memory in use. ENERGY: 3586600 748.6063 2114.0764 1943.3034 120.2259 -206349.3821 17789.7056 0.0000 0.0000 34535.9242 -149097.5403 301.6108 -183633.4645 -149001.8581 299.3376 -77.6453 -51.3565 559190.0551 11.8332 11.8435 PRESSURE: 3586800 -226.951 133.246 56.8174 133.248 -304.796 -22.0433 56.8171 -22.0413 -353.196 GPRESSURE: 3586800 -178.591 113.203 35.0169 169.648 -282.905 -77.0163 73.4205 -78.3033 -338.921 PRESSAVG: 3586800 -26.6131 -18.7735 7.64416 -18.7735 -9.41058 -10.5295 7.64421 -10.5294 42.5902 GPRESSAVG: 3586800 -26.2646 -18.8859 9.18509 -18.4024 -9.08332 -9.37281 6.05959 -11.3054 42.4825 TIMING: 3586800 CPU: 10737, 0.00299801/step Wall: 10737, 0.00299801/step, 1.17689 hours remaining, 208.261719 MB of memory in use. ENERGY: 3586800 748.8333 2115.9974 1932.7317 121.4780 -205566.0279 17361.8800 0.0000 0.0000 34363.6296 -148921.4778 300.1061 -183285.1074 -148824.6720 299.1804 -294.9809 -266.8057 559178.5438 2.1888 2.3782 PRESSURE: 3587000 -366.812 -73.4494 -67.8606 -73.4472 -199.761 72.2995 -67.8611 72.2998 -145.674 GPRESSURE: 3587000 -302.657 -108.865 32.8924 5.06078 -187.665 20.0429 -148.129 77.1603 -116.534 PRESSAVG: 3587000 68.3287 24.0226 13.55 24.0226 -63.9843 21.0144 13.5499 21.0144 11.7803 GPRESSAVG: 3587000 67.5785 24.7188 13.5964 24.1663 -63.2892 20.4312 13.6453 21.173 12.4656 TIMING: 3587000 CPU: 10737.6, 0.00302091/step Wall: 10737.6, 0.00302091/step, 1.18571 hours remaining, 208.261719 MB of memory in use. ENERGY: 3587000 791.1028 2074.5082 1922.9541 119.0220 -205688.8360 17466.1492 0.0000 0.0000 34396.0451 -148919.0546 300.3892 -183315.0998 -148821.2530 300.0340 -237.4157 -202.2851 560325.3127 5.3749 5.5850 PRESSURE: 3587200 -47.2131 -135.537 110.58 -135.538 225.081 4.81428 110.581 4.81209 -194.797 GPRESSURE: 3587200 -8.21693 -34.7306 55.7076 -97.4659 262.493 -11.1293 236.974 34.1636 -174.527 PRESSAVG: 3587200 7.95851 -38.3525 91.552 -38.3525 -8.64823 23.063 91.5521 23.063 11.3579 GPRESSAVG: 3587200 9.21448 -37.4988 91.8265 -38.1797 -9.35076 22.4729 90.2987 23.3995 10.6867 TIMING: 3587200 CPU: 10738.2, 0.00302046/step Wall: 10738.2, 0.00302046/step, 1.18536 hours remaining, 208.261719 MB of memory in use. ENERGY: 3587200 766.7074 2062.9889 1950.4225 112.9721 -206511.9455 18055.4904 0.0000 0.0000 34478.8732 -149084.4910 301.1126 -183563.3642 -148987.1937 300.0362 -5.6433 26.5830 559410.7499 3.5561 3.5168 PRESSURE: 3587400 -331.724 75.9623 85.1775 75.9621 -100.84 -90.5094 85.1778 -90.5095 -72.8222 GPRESSURE: 3587400 -274.455 18.5616 68.2711 45.2018 -98.0558 -52.0233 66.2224 -129.149 -43.3324 PRESSAVG: 3587400 -33.3581 -12.3074 5.82112 -12.3074 -34.753 -54.0345 5.82113 -54.0344 62.7014 GPRESSAVG: 3587400 -32.7233 -14.5112 4.88631 -13.0788 -34.7338 -55.0511 7.01763 -53.5247 62.3037 TIMING: 3587400 CPU: 10738.8, 0.00303328/step Wall: 10738.8, 0.00303328/step, 1.19022 hours remaining, 208.261719 MB of memory in use. ENERGY: 3587400 715.2385 2126.8383 1942.1568 126.9587 -205963.4207 17549.1393 0.0000 0.0000 34445.0743 -149058.0147 300.8174 -183503.0890 -148958.2396 299.4910 -168.4619 -138.6144 558645.7889 -1.8032 -1.7178 PRESSURE: 3587600 176.832 -88.8127 -155.228 -88.8122 0.597063 -191.596 -155.228 -191.596 -16.9665 GPRESSURE: 3587600 201.301 15.4679 -145.287 -112.79 88.4653 -226.182 -184.334 -224.579 -35.5593 PRESSAVG: 3587600 -36.981 -14.4821 43.0309 -14.4821 -26.2778 -57.9646 43.031 -57.9646 37.6484 GPRESSAVG: 3587600 -37.9783 -13.1074 42.8345 -16.1244 -24.7429 -57.2537 42.5728 -59.1491 36.9635 TIMING: 3587600 CPU: 10739.4, 0.00304343/step Wall: 10739.4, 0.00304343/step, 1.19404 hours remaining, 208.261719 MB of memory in use. ENERGY: 3587600 680.3126 2087.3882 1973.9034 115.9978 -206364.2832 18008.6874 0.0000 0.0000 34285.7160 -149212.2778 299.4257 -183497.9938 -149115.3217 298.8963 53.4877 84.7356 559680.1579 -8.5368 -8.5859 PRESSURE: 3587800 -13.468 65.5697 -48.5723 65.5707 26.715 4.10132 -48.5721 4.10021 184.929 GPRESSURE: 3587800 -2.4128 -8.18788 -95.6792 122.556 91.7952 -46.7889 -49.3975 31.1767 201.498 PRESSAVG: 3587800 20.795 -12.8452 -18.1978 -12.8452 -6.11514 -21.2376 -18.1979 -21.2374 24.2276 GPRESSAVG: 3587800 20.4675 -13.0392 -17.8066 -10.9135 -6.52619 -21.9657 -17.5311 -20.6906 25.2282 TIMING: 3587800 CPU: 10740, 0.00304221/step Wall: 10740, 0.00304221/step, 1.19339 hours remaining, 208.261719 MB of memory in use. ENERGY: 3587800 721.4939 2061.0444 1941.4914 101.8578 -206552.7790 18037.8330 0.0000 0.0000 34369.1912 -149319.8675 300.1547 -183689.0586 -149229.3844 299.4725 66.0587 96.9600 558347.5813 12.9692 13.0565 PRESSURE: 3588000 154.503 -124.248 107.965 -124.248 33.6335 42.5588 107.967 42.5577 -97.8665 GPRESSURE: 3588000 170.357 -92.0062 161.729 -73.0897 57.8525 30.8389 125.31 51.1802 -48.3152 PRESSAVG: 3588000 -5.40286 8.47543 16.0652 8.47546 0.970921 36.2457 16.0652 36.2458 33.4751 GPRESSAVG: 3588000 -5.00464 9.34437 17.8022 9.18935 1.00667 36.9751 14.5532 35.355 32.7921 TIMING: 3588000 CPU: 10740.6, 0.00303511/step Wall: 10740.6, 0.00303511/step, 1.19044 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: 3588000 742.7732 2106.3537 1946.9230 112.1096 -206028.1416 17952.7079 0.0000 0.0000 33944.2503 -149223.0239 296.4436 -183167.2742 -149135.0574 299.9859 30.0901 59.9648 557081.5633 9.6811 9.5980 PRESSURE: 3588200 86.3571 -0.456138 -178.315 -0.457297 -113.451 6.56585 -178.316 6.56674 -100.275 GPRESSURE: 3588200 143.592 31.2781 -62.7274 -23.2441 -87.7894 59.3401 -159.703 -33.1778 -95.3439 PRESSAVG: 3588200 -29.0904 -38.856 -13.7017 -38.8561 25.7883 49.9494 -13.7019 49.9494 -15.5901 GPRESSAVG: 3588200 -29.645 -38.3441 -13.0656 -38.5584 26.3064 50.0023 -15.9458 50.4027 -15.2025 TIMING: 3588200 CPU: 10741.2, 0.00303812/step Wall: 10741.2, 0.00303812/step, 1.19145 hours remaining, 208.261719 MB of memory in use. ENERGY: 3588200 743.7612 2116.8338 1921.4840 109.3616 -205963.8470 17623.6139 0.0000 0.0000 34094.4089 -149354.3836 297.7550 -183448.7925 -149256.1144 298.7857 -42.4561 -13.1805 556657.5910 -6.2974 -6.1804 LDB: ============= START OF LOAD BALANCING ============== 10744.7 LDB: ============== END OF LOAD BALANCING =============== 10744.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10744.7 LDB: ============= START OF LOAD BALANCING ============== 10745 LDB: Largest compute 4820 load 0.023603 is 20.0% of average load 0.118120 LDB: Average compute 0.001723 is 1.5% of average load 0.118120 LDB: TIME 10745 LOAD: AVG 0.11812 MAX 0.21888 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 10745 LOAD: AVG 0.11812 MAX 0.21888 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.973 MB LDB: TIME 10745 LOAD: AVG 0.11812 MAX 0.21888 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10745 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10745 PRESSURE: 3588400 90.9552 -75.4154 0.0963122 -75.4161 -27.9782 7.94918 0.0961242 7.94924 -43.8317 GPRESSURE: 3588400 42.3288 -18.6895 -2.58139 -155.225 50.0895 -56.0782 -8.17143 89.7039 30.7695 PRESSAVG: 3588400 6.25752 -34.5858 -16.2668 -34.5856 12.633 -22.5528 -16.2667 -22.5528 -0.304176 GPRESSAVG: 3588400 6.57326 -35.9289 -17.2124 -33.7897 11.8512 -21.123 -13.607 -23.1449 -0.0275681 TIMING: 3588400 CPU: 10741.8, 0.00308545/step Wall: 10741.8, 0.00308545/step, 1.20984 hours remaining, 206.132812 MB of memory in use. ENERGY: 3588400 728.3833 2055.3099 1983.0315 107.7314 -206108.5448 17727.3655 0.0000 0.0000 34146.3959 -149360.3273 298.2090 -183506.7231 -149254.9329 298.3796 6.3817 41.0626 556982.7945 6.1955 6.1323 PRESSURE: 3588600 -85.299 -13.1553 -21.6039 -13.1554 60.6163 -51.3761 -21.6042 -51.3757 109.044 GPRESSURE: 3588600 -60.1114 24.7864 95.4336 17.6162 137.13 8.62121 -118.38 5.02143 95.5231 PRESSAVG: 3588600 -42.1505 -19.0476 -5.63006 -19.0476 2.4303 -33.7414 -5.63012 -33.7414 32.2307 GPRESSAVG: 3588600 -41.9118 -17.4533 -5.02929 -20.177 3.03932 -35.1154 -6.39401 -32.6746 31.5545 TIMING: 3588600 CPU: 10742.4, 0.00302743/step Wall: 10742.4, 0.00302743/step, 1.18692 hours remaining, 206.132812 MB of memory in use. ENERGY: 3588600 760.5014 2076.5098 1927.8959 115.3738 -206342.1935 17864.9115 0.0000 0.0000 34119.9202 -149477.0810 297.9777 -183597.0011 -149380.5396 297.9000 28.1206 57.5140 556422.5662 -2.4965 -2.4393 PRESSURE: 3588800 -316.581 184.75 -112.307 184.751 -191.242 0.669225 -112.31 0.668688 -118.675 GPRESSURE: 3588800 -345.722 171.689 -203.694 169.178 -110.097 47.7714 -49.2649 -38.9108 -69.135 PRESSAVG: 3588800 -75.2254 29.4945 -24.3835 29.4946 -43.071 24.6696 -24.3835 24.6697 102.074 GPRESSAVG: 3588800 -74.4139 29.1197 -26.4919 29.2238 -44.3396 25.4207 -23.6621 23.134 102.871 TIMING: 3588800 CPU: 10743.1, 0.0030389/step Wall: 10743.1, 0.0030389/step, 1.19125 hours remaining, 206.132812 MB of memory in use. ENERGY: 3588800 758.2346 2130.4852 1965.4950 127.8839 -206323.3682 17543.1878 0.0000 0.0000 34287.6005 -149510.4811 299.4421 -183798.0816 -149417.1833 297.9039 -208.8325 -174.9845 557219.3798 -5.4076 -5.2940 PRESSURE: 3589000 -82.2873 -199.437 -17.3904 -199.437 -73.2306 -24.423 -17.3911 -24.4222 40.1776 GPRESSURE: 3589000 -46.2416 -202.519 -52.5052 -210.387 -67.1481 -2.25766 -8.01282 -86.546 103.744 PRESSAVG: 3589000 -114.607 -60.7939 13.6193 -60.7939 34.1848 -44.7373 13.6192 -44.7372 49.7682 GPRESSAVG: 3589000 -115.782 -61.2373 13.9799 -60.2479 35.9995 -46.5141 13.8659 -44.2571 49.6417 TIMING: 3589000 CPU: 10743.7, 0.00305267/step Wall: 10743.7, 0.00305267/step, 1.19648 hours remaining, 206.132812 MB of memory in use. ENERGY: 3589000 738.8212 2126.0988 1941.9941 121.5528 -206157.0099 17710.4827 0.0000 0.0000 33994.8836 -149523.1768 296.8858 -183518.0604 -149428.4470 298.3490 -38.4468 -3.2151 557520.4071 -10.2181 -10.0470 PRESSURE: 3589200 85.1896 -38.7233 -31.7547 -38.7218 -195.882 66.7275 -31.7543 66.7273 -162.859 GPRESSURE: 3589200 128.018 -52.1135 -23.1867 26.6118 -173.528 87.7962 -53.2 74.3703 -129.964 PRESSAVG: 3589200 5.8476 -32.5208 1.72032 -32.5207 -7.08481 -61.2999 1.72034 -61.3 23.3574 GPRESSAVG: 3589200 6.30049 -33.7054 3.04539 -32.49 -7.60477 -60.0591 0.353842 -59.4332 23.7401 TIMING: 3589200 CPU: 10744.3, 0.00305193/step Wall: 10744.3, 0.00305193/step, 1.19602 hours remaining, 206.132812 MB of memory in use. ENERGY: 3589200 778.9024 2059.6700 1946.6088 107.1092 -206127.7951 17573.2012 0.0000 0.0000 34266.0125 -149396.2911 299.2536 -183662.3036 -149297.6850 298.5377 -91.1838 -58.4912 556947.2632 7.3734 7.4786 PRESSURE: 3589400 51.3269 -130.329 32.7098 -130.329 309.087 -135.863 32.7087 -135.862 150.217 GPRESSURE: 3589400 96.4777 -179.266 -30.8568 -94.2134 333.858 -193.314 84.9192 -158.481 179.811 PRESSAVG: 3589400 33.1608 -60.0729 48.9258 -60.0728 -37.3925 -53.6452 48.9259 -53.6451 29.3683 GPRESSAVG: 3589400 32.8148 -58.7318 47.2286 -60.3704 -36.6909 -53.6697 49.655 -54.8756 29.0485 TIMING: 3589400 CPU: 10744.9, 0.00303698/step Wall: 10744.9, 0.00303698/step, 1.18999 hours remaining, 206.132812 MB of memory in use. ENERGY: 3589400 755.9301 2065.9560 1943.4579 102.9884 -206518.9100 18054.1135 0.0000 0.0000 34215.5569 -149380.9071 298.8130 -183596.4640 -149279.5472 298.2857 170.2103 203.3824 556468.1930 8.3789 8.3908 PRESSURE: 3589600 -37.2036 48.885 -134.908 48.8866 -137.581 -27.3208 -134.908 -27.3207 48.1477 GPRESSURE: 3589600 -27.8341 -19.7291 -158.471 156.251 -125.146 -36.62 -155.374 -60.6253 117.407 PRESSAVG: 3589600 -0.827072 -61.1095 -8.57944 -61.1095 -12.9988 2.00321 -8.5794 2.00326 -0.90236 GPRESSAVG: 3589600 -0.0795155 -63.3986 -6.38743 -61.0229 -14.5596 0.88646 -8.67751 2.18076 -0.140365 TIMING: 3589600 CPU: 10745.5, 0.00306243/step Wall: 10745.5, 0.00306243/step, 1.19979 hours remaining, 206.132812 MB of memory in use. ENERGY: 3589600 726.3292 2033.9163 1977.1908 110.2096 -206244.8877 17697.7362 0.0000 0.0000 34204.9033 -149494.6024 298.7199 -183699.5057 -149397.6157 298.4013 -42.2121 -11.8578 555345.0697 -4.9094 -4.9265 PRESSURE: 3589800 -85.1515 5.64549 6.83784 5.64619 171.714 -5.90563 6.8381 -5.90336 112.16 GPRESSURE: 3589800 -42.4084 -51.0426 1.22451 -29.4001 174.715 -58.8738 12.9279 18.0111 157.7 PRESSAVG: 3589800 12.909 37.0062 -37.4185 37.0061 -55.3031 -30.5452 -37.4185 -30.5452 -20.2691 GPRESSAVG: 3589800 12.0171 38.8098 -38.8088 37.5861 -54.1287 -30.4086 -37.6214 -29.3396 -21.1192 TIMING: 3589800 CPU: 10746.1, 0.00305355/step Wall: 10746.1, 0.00305355/step, 1.19614 hours remaining, 206.132812 MB of memory in use. ENERGY: 3589800 742.8721 2060.0730 1916.8447 112.6683 -206469.7557 17808.5102 0.0000 0.0000 34189.8111 -149638.9763 298.5881 -183828.7874 -149547.4202 298.4856 66.2409 96.6687 555457.4715 -20.8877 -21.0769 PRESSURE: 3590000 182.647 -104.803 49.5747 -104.803 -42.8967 -162.332 49.5745 -162.331 -154.036 GPRESSURE: 3590000 247.326 -97.2688 131.453 -72.3578 -31.8103 -158.252 -34.6949 -186.612 -134.048 PRESSAVG: 3590000 -38.1868 60.4432 -90.342 60.4433 88.2055 -38.5196 -90.3419 -38.5196 -39.1757 GPRESSAVG: 3590000 -38.499 59.0333 -88.6939 60.4208 87.8462 -37.157 -92.2466 -40.1288 -38.2952 TIMING: 3590000 CPU: 10746.7, 0.00304448/step Wall: 10746.7, 0.00304448/step, 1.19242 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: 3590000 731.1104 2110.3435 1938.3662 113.1644 -206222.0849 17793.8756 0.0000 0.0000 33946.9477 -149588.2772 296.4671 -183535.2250 -149488.3695 297.0946 -4.7620 27.1559 556719.8692 3.6143 3.6840 PRESSURE: 3590200 -6.80587 85.7635 6.92858 85.7635 180.105 -9.35687 6.92778 -9.35637 -57.3936 GPRESSURE: 3590200 4.91878 70.6351 38.7752 44.7601 255.781 85.3746 -66.8154 -81.9292 -48.7809 PRESSAVG: 3590200 48.5555 -20.3896 -13.9443 -20.3895 21.6955 -10.2955 -13.9443 -10.2957 -47.7617 GPRESSAVG: 3590200 49.409 -20.4947 -15.4385 -20.1234 21.7942 -8.3375 -13.444 -10.8746 -48.4958 TIMING: 3590200 CPU: 10747.3, 0.00305762/step Wall: 10747.3, 0.00305762/step, 1.1974 hours remaining, 206.132812 MB of memory in use. ENERGY: 3590200 772.6383 2055.4663 1951.9197 106.6809 -206575.0564 18006.5294 0.0000 0.0000 34219.2263 -149462.5954 298.8450 -183681.8217 -149364.7190 297.8217 38.6353 70.6396 556314.7638 7.4964 7.5691 PRESSURE: 3590400 -93.6919 84.3482 -25.2057 84.3479 263.552 -42.6507 -25.2054 -42.6507 211.276 GPRESSURE: 3590400 9.25838 84.9667 26.0318 67.7553 240.334 -65.0566 9.90315 -31.8344 235.154 PRESSAVG: 3590400 -15.8079 -21.7167 26.8207 -21.7167 -29.8657 -13.0358 26.8206 -13.0358 25.2725 GPRESSAVG: 3590400 -15.9501 -21.038 24.4423 -21.4228 -31.8272 -15.3058 28.3457 -12.4847 27.1522 TIMING: 3590400 CPU: 10747.9, 0.00305659/step Wall: 10747.9, 0.00305659/step, 1.19683 hours remaining, 206.269531 MB of memory in use. ENERGY: 3590400 745.8282 2044.1984 1938.5043 112.1018 -206648.4483 18011.9238 0.0000 0.0000 34214.7209 -149581.1709 298.8057 -183795.8918 -149491.1422 298.6012 127.0455 161.5820 556263.1183 -6.8004 -6.8750 PRESSURE: 3590600 32.4085 -77.5427 8.74901 -77.5422 6.7657 -48.7054 8.74863 -48.7052 -17.816 GPRESSURE: 3590600 46.923 -43.0738 -18.6957 -97.0538 16.0075 -122.784 171.77 21.8626 52.0906 PRESSAVG: 3590600 -72.4234 72.6368 -3.93944 72.6369 79.7974 5.81197 -3.93947 5.81193 -19.2164 GPRESSAVG: 3590600 -72.5 73.5993 -1.50119 69.1528 80.9724 5.8537 -3.99613 5.6147 -20.5342 TIMING: 3590600 CPU: 10748.5, 0.00304576/step Wall: 10748.5, 0.00304576/step, 1.19242 hours remaining, 206.269531 MB of memory in use. ENERGY: 3590600 703.2792 2119.5114 1928.7813 104.8775 -206305.7519 17659.3988 0.0000 0.0000 34038.4607 -149751.4431 297.2663 -183789.9038 -149656.1680 297.6895 7.1194 38.3404 556693.0019 -3.9475 -4.0206 PRESSURE: 3590800 91.2999 57.8615 30.8425 57.8612 -235.59 42.39 30.8432 42.3904 -152.183 GPRESSURE: 3590800 60.0491 53.0668 76.6361 87.5742 -180.283 129.771 60.3921 -21.6577 -72.8102 PRESSAVG: 3590800 16.9585 2.45941 -1.82083 2.45942 -19.1211 9.74612 -1.82077 9.7462 -11.7464 GPRESSAVG: 3590800 16.38 0.785718 -1.15891 4.69384 -18.6933 11.7256 -1.82621 9.34234 -11.5067 TIMING: 3590800 CPU: 10749.2, 0.00306188/step Wall: 10749.2, 0.00306188/step, 1.19856 hours remaining, 206.269531 MB of memory in use. ENERGY: 3590800 750.9701 2116.5954 1915.7448 107.7015 -206776.6471 18018.2239 0.0000 0.0000 34180.5451 -149686.8662 298.5072 -183867.4113 -149584.9250 297.7988 -98.8242 -64.3482 557432.6810 -4.6363 -4.6067 PRESSURE: 3591000 -75.8094 106.427 -122.826 106.427 -212.794 43.2 -122.826 43.201 50.3811 GPRESSURE: 3591000 -0.120901 135.366 -34.1064 142.295 -220.741 129.992 -195.286 26.0479 83.7482 PRESSAVG: 3591000 39.9892 12.3475 -11.0665 12.3476 2.42285 -43.9072 -11.0665 -43.9072 -42.2214 GPRESSAVG: 3591000 40.5638 12.501 -11.9353 12.4527 2.24478 -44.8786 -13.0767 -41.6843 -42.8916 TIMING: 3591000 CPU: 10749.8, 0.00304306/step Wall: 10749.8, 0.00304306/step, 1.19102 hours remaining, 206.269531 MB of memory in use. ENERGY: 3591000 711.5693 2113.8189 1938.5665 120.4945 -206483.6012 17790.9936 0.0000 0.0000 34093.6627 -149714.4956 297.7484 -183808.1583 -149617.9928 298.0090 -79.4076 -45.7045 558737.9739 0.0636 -0.0277 PRESSURE: 3591200 149.993 126.46 87.4024 126.46 -168.598 104.618 87.4019 104.617 -68.6643 GPRESSURE: 3591200 194.558 146.755 87.4859 142.185 -193.782 64.4748 86.6362 32.3501 2.31297 PRESSAVG: 3591200 48.5285 49.3017 29.6281 49.3017 11.3117 5.59991 29.628 5.59994 -50.1383 GPRESSAVG: 3591200 48.5505 49.5859 29.4361 50.1163 11.3761 6.52039 29.1996 3.1561 -50.1165 TIMING: 3591200 CPU: 10750.4, 0.00304559/step Wall: 10750.4, 0.00304559/step, 1.19184 hours remaining, 206.269531 MB of memory in use. ENERGY: 3591200 720.1992 2082.9987 1895.8005 117.1285 -206585.8835 17879.5303 0.0000 0.0000 34233.2594 -149656.9670 298.9676 -183890.2264 -149566.5847 297.9485 -29.0898 1.0298 557459.0978 3.2340 3.2701 PRESSURE: 3591400 -1.34706 12.8775 54.0293 12.8773 -271.267 -91.8341 54.0295 -91.8341 180.869 GPRESSURE: 3591400 107.716 6.6313 -64.1247 -1.43767 -248.503 -96.0133 86.3954 -17.8898 142.956 PRESSAVG: 3591400 10.3626 -0.934351 -8.80733 -0.934317 -81.0212 -39.4909 -8.80734 -39.4909 66.7148 GPRESSAVG: 3591400 10.2638 -1.56974 -9.8922 -0.485256 -80.9876 -40.4319 -7.13268 -37.1506 66.7802 TIMING: 3591400 CPU: 10751, 0.0030392/step Wall: 10751, 0.0030392/step, 1.18917 hours remaining, 206.269531 MB of memory in use. ENERGY: 3591400 740.4691 2070.4710 1925.8785 104.4205 -206430.8371 17814.5803 0.0000 0.0000 34151.2872 -149623.7306 298.2517 -183775.0178 -149529.1913 298.2411 -30.5819 0.7233 556699.4822 -1.3146 -1.3146 PRESSURE: 3591600 -209.465 8.8878 -47.0984 8.88714 33.3541 -74.3124 -47.0972 -74.3146 -66.9597 GPRESSURE: 3591600 -174.391 3.05668 44.8628 12.6681 101.405 -120.079 -149.688 -45.0393 -70.5537 PRESSAVG: 3591600 57.414 29.9651 1.55234 29.9651 -8.71829 17.5815 1.55241 17.5815 7.42505 GPRESSAVG: 3591600 58.2182 29.1252 3.65914 29.7585 -9.13533 15.7701 0.986811 17.2415 6.88079 TIMING: 3591600 CPU: 10751.6, 0.00304458/step Wall: 10751.6, 0.00304458/step, 1.19111 hours remaining, 206.269531 MB of memory in use. ENERGY: 3591600 714.2664 2088.7658 1941.5179 118.8542 -206348.5076 17661.8506 0.0000 0.0000 34250.1471 -149573.1056 299.1151 -183823.2527 -149477.2782 298.2000 -81.0236 -47.8464 557238.9719 18.7069 18.6546 PRESSURE: 3591800 -24.3184 10.423 67.3925 10.4228 107.442 -40.4567 67.3926 -40.4592 163.417 GPRESSURE: 3591800 35.4418 -25.0003 -32.8873 29.9784 97.2136 -110.134 108.983 -10.7347 220.401 PRESSAVG: 3591800 -19.8073 -28.0983 -7.1382 -28.0983 -12.0532 -46.5646 -7.13827 -46.5647 28.6129 GPRESSAVG: 3591800 -20.2385 -26.6905 -7.25536 -29.4267 -12.9209 -44.3891 -5.94602 -47.6366 29.5155 TIMING: 3591800 CPU: 10752.2, 0.00304824/step Wall: 10752.2, 0.00304824/step, 1.19237 hours remaining, 206.269531 MB of memory in use. ENERGY: 3591800 731.4864 2113.2416 1931.9688 120.2233 -206422.4648 17922.5870 0.0000 0.0000 34253.4722 -149349.4855 299.1441 -183602.9576 -149247.2973 298.5857 82.1801 117.6855 557911.0623 -1.0825 -1.2146 PRESSURE: 3592000 67.8304 -139.507 -96.8603 -139.508 98.6238 54.77 -96.8608 54.7684 154.63 GPRESSURE: 3592000 110.047 -227.035 -100.63 -49.8566 112.474 52.7112 -101.695 140.748 186.602 PRESSAVG: 3592000 -52.1287 -22.4894 21.4561 -22.4893 52.4276 -9.34051 21.4562 -9.34047 27.9452 GPRESSAVG: 3592000 -51.8445 -21.1073 20.4685 -20.6064 52.563 -10.4413 20.9019 -9.49047 27.4735 TIMING: 3592000 CPU: 10752.8, 0.00304082/step Wall: 10752.8, 0.00304082/step, 1.1893 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: 3592000 709.0706 2100.8311 1900.1037 117.5023 -206504.9064 18115.1977 0.0000 0.0000 34307.5820 -149254.6190 299.6166 -183562.2010 -149159.0626 299.1243 107.0281 136.3745 559322.8067 9.4147 9.3973 PRESSURE: 3592200 -99.6607 -159.377 -67.9157 -159.377 14.0654 127.395 -67.9163 127.397 -66.3257 GPRESSURE: 3592200 -44.4489 -207.097 -140.074 -173.112 26.4159 129.079 0.272923 79.2905 -51.0456 PRESSAVG: 3592200 -32.6252 -78.1046 -3.40306 -78.1045 -1.04668 2.81881 -3.40312 2.81884 4.39668 GPRESSAVG: 3592200 -33.7797 -79.0892 -3.38769 -79.5158 -0.179939 2.49773 -4.31238 4.14839 4.94114 TIMING: 3592200 CPU: 10753.4, 0.00303382/step Wall: 10753.4, 0.00303382/step, 1.18639 hours remaining, 206.269531 MB of memory in use. ENERGY: 3592200 732.9445 2092.9910 1957.2350 112.3056 -206186.9952 17746.1468 0.0000 0.0000 34304.6579 -149240.7144 299.5911 -183545.3723 -149153.5511 298.3699 -50.6403 -23.0262 558389.3568 -9.7584 -9.6728 LDB: ============= START OF LOAD BALANCING ============== 10756.9 LDB: ============== END OF LOAD BALANCING =============== 10756.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10756.9 LDB: ============= START OF LOAD BALANCING ============== 10757.2 LDB: Largest compute 4820 load 0.021941 is 18.6% of average load 0.118108 LDB: Average compute 0.001725 is 1.5% of average load 0.118108 LDB: TIME 10757.2 LOAD: AVG 0.118108 MAX 0.219583 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 10757.2 LOAD: AVG 0.118108 MAX 0.219583 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: TIME 10757.2 LOAD: AVG 0.118108 MAX 0.219583 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.574 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10757.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10757.2 PRESSURE: 3592400 84.2767 -169.824 -121.585 -169.824 -208.839 5.55952 -121.586 5.56029 168.784 GPRESSURE: 3592400 106.429 -95.4926 -148.479 -149.07 -121.162 -73.5456 -155.446 10.2735 149.92 PRESSAVG: 3592400 -0.157903 -55.227 -58.6206 -55.2268 -18.1877 -69.8686 -58.6205 -69.8686 26.4773 GPRESSAVG: 3592400 1.36148 -57.4924 -60.13 -54.9394 -18.6639 -70.1186 -57.1683 -70.6474 25.5914 TIMING: 3592400 CPU: 10754, 0.00311325/step Wall: 10754, 0.00311325/step, 1.21728 hours remaining, 205.945312 MB of memory in use. ENERGY: 3592400 755.1329 2040.6943 1952.6554 112.8754 -206181.2058 17953.5869 0.0000 0.0000 34049.2387 -149317.0222 297.3605 -183366.2609 -149223.6863 298.6250 14.7407 45.0622 558489.3991 2.7106 2.7630 PRESSURE: 3592600 -11.2994 111.461 27.5909 111.463 -8.70625 32.3303 27.5897 32.3294 -111.52 GPRESSURE: 3592600 -42.2477 47.5676 46.9045 192.884 37.6037 72.9248 87.457 -9.5275 -39.9695 PRESSAVG: 3592600 40.4566 0.410829 -23.7678 0.410763 -58.5447 -22.4545 -23.7677 -22.4547 -9.95077 GPRESSAVG: 3592600 39.5074 3.01149 -21.6835 0.104286 -59.032 -20.8659 -23.7255 -21.2121 -8.59915 TIMING: 3592600 CPU: 10754.7, 0.00304716/step Wall: 10754.7, 0.00304716/step, 1.19127 hours remaining, 205.945312 MB of memory in use. ENERGY: 3592600 755.8933 2069.8701 1929.2205 115.2203 -206087.3826 17680.5838 0.0000 0.0000 34324.1035 -149212.4911 299.7609 -183536.5946 -149115.7560 298.7429 -43.8418 -14.8712 558054.9936 -9.3463 -9.3746 PRESSURE: 3592800 -109.342 70.073 157.137 70.0728 52.0458 -217.543 157.137 -217.544 86.3008 GPRESSURE: 3592800 -63.7675 46.6897 135.658 57.2128 115.297 -186.987 122.862 -209.612 61.9318 PRESSAVG: 3592800 -52.826 -8.07638 43.3885 -8.07642 47.8545 -27.1972 43.3884 -27.1973 -1.51403 GPRESSAVG: 3592800 -53.4212 -9.04954 41.6595 -7.19862 48.8627 -25.6396 42.6301 -30.3908 -1.83342 TIMING: 3592800 CPU: 10755.3, 0.00307532/step Wall: 10755.3, 0.00307532/step, 1.20211 hours remaining, 205.945312 MB of memory in use. ENERGY: 3592800 733.0386 2022.2240 1938.6160 115.3294 -205854.4438 17631.5395 0.0000 0.0000 34098.8570 -149314.8393 297.7938 -183413.6963 -149221.9816 298.6428 9.6683 37.8205 557414.9736 -2.1618 -2.1306 PRESSURE: 3593000 -244.752 -111.398 33.6822 -111.399 36.2201 51.6087 33.6823 51.6107 -48.8567 GPRESSURE: 3593000 -216.211 -167.181 69.1452 -31.3188 93.1749 -1.83494 35.3515 8.36006 -45.9223 PRESSAVG: 3593000 -6.27692 -21.0646 -26.989 -21.0647 -19.4239 20.4569 -26.9889 20.4568 6.95778 GPRESSAVG: 3593000 -5.61258 -21.0381 -24.323 -22.6264 -19.859 17.9545 -25.6376 21.9908 6.43693 TIMING: 3593000 CPU: 10755.9, 0.00306872/step Wall: 10755.9, 0.00306872/step, 1.19936 hours remaining, 205.945312 MB of memory in use. ENERGY: 3593000 777.7233 2019.9177 1935.5970 121.8123 -205882.0848 17646.9646 0.0000 0.0000 34019.0432 -149361.0268 297.0968 -183380.0699 -149270.8263 298.1752 -85.7961 -56.3195 557823.8429 -6.2477 -6.3449 PRESSURE: 3593200 224.508 -105.418 -102.408 -105.417 -0.354919 62.2189 -102.408 62.2197 66.5217 GPRESSURE: 3593200 243.121 -99.0343 -142.023 -78.9829 6.49886 79.8505 -109.37 32.3763 134.991 PRESSAVG: 3593200 26.45 -115.897 -17.849 -115.897 59.5007 -24.0269 -17.8489 -24.0269 -65.2258 GPRESSAVG: 3593200 27.1007 -116.09 -20.1844 -114.323 58.8066 -26.464 -17.6039 -21.317 -65.0735 TIMING: 3593200 CPU: 10756.5, 0.00306759/step Wall: 10756.5, 0.00306759/step, 1.19875 hours remaining, 205.945312 MB of memory in use. ENERGY: 3593200 725.7354 2053.5072 1938.1400 104.5353 -206268.5522 17944.8470 0.0000 0.0000 34081.4238 -149420.3634 297.6416 -183501.7872 -149328.3649 297.9444 96.8915 128.2035 557569.8523 6.9083 6.9446 PRESSURE: 3593400 -60.8092 95.8674 83.9565 95.8656 -29.3461 14.1865 83.9564 14.188 88.4096 GPRESSURE: 3593400 -70.036 96.2848 99.8463 29.405 36.2527 29.3454 129.21 -16.572 138.417 PRESSAVG: 3593400 -55.7492 -48.1123 15.8557 -48.1122 40.6159 -52.3665 15.8557 -52.3667 -19.3112 GPRESSAVG: 3593400 -55.2139 -48.6474 16.6616 -48.7627 41.6153 -49.1106 15.2536 -55.248 -20.8653 TIMING: 3593400 CPU: 10757.1, 0.00303992/step Wall: 10757.1, 0.00303992/step, 1.18777 hours remaining, 205.945312 MB of memory in use. ENERGY: 3593400 717.6830 2085.8566 1941.2663 110.3638 -206004.1645 17685.5089 0.0000 0.0000 34114.1456 -149349.3402 297.9273 -183463.4859 -149248.7675 298.2650 -0.5819 34.8779 557250.4903 -11.4815 -11.4880 PRESSURE: 3593600 -14.8085 3.67396 4.3414 3.67422 -72.9351 3.07993 4.34081 3.08019 -12.7856 GPRESSURE: 3593600 41.7697 35.886 -56.3043 23.9896 -46.754 36.3887 16.2742 -8.42577 3.84298 PRESSAVG: 3593600 -23.6307 -29.5477 -45.1753 -29.5477 31.9298 65.3731 -45.1752 65.3732 -27.0766 GPRESSAVG: 3593600 -23.9493 -28.5523 -45.907 -30.5014 30.7931 66.0689 -46.3952 63.8077 -25.4904 TIMING: 3593600 CPU: 10757.7, 0.0030462/step Wall: 10757.7, 0.0030462/step, 1.19005 hours remaining, 205.945312 MB of memory in use. ENERGY: 3593600 730.9358 1985.1134 1915.4782 99.7790 -206055.6348 17708.0061 0.0000 0.0000 34423.4646 -149192.8577 300.6287 -183616.3222 -149100.6593 298.7612 -33.5097 -0.3804 557584.1499 -6.2592 -6.2155 PRESSURE: 3593800 227.649 -227.571 -42.8952 -227.571 115.761 20.8475 -42.8946 20.8458 266.574 GPRESSURE: 3593800 244.264 -185.5 -122.335 -244.843 188.968 116.496 -21.1444 -82.8039 277.396 PRESSAVG: 3593800 -25.4408 2.53578 -18.4553 2.53573 -57.1832 -32.1551 -18.4554 -32.1551 90.0913 GPRESSAVG: 3593800 -26.6913 2.59087 -17.6747 4.00112 -55.2201 -32.2539 -18.9564 -31.5546 88.9884 TIMING: 3593800 CPU: 10758.3, 0.00305629/step Wall: 10758.3, 0.00305629/step, 1.19382 hours remaining, 205.945312 MB of memory in use. ENERGY: 3593800 709.6396 2031.6930 1909.7041 110.7158 -206119.0418 17966.9633 0.0000 0.0000 34249.6309 -149140.6949 299.1105 -183390.3258 -149049.7921 299.3711 203.3281 236.8759 555909.5218 2.4891 2.3590 PRESSURE: 3594000 -9.27022 -116.419 68.9672 -116.418 -249.749 -26.7483 68.9662 -26.75 -40.8918 GPRESSURE: 3594000 -19.922 -71.4982 24.8613 -128.677 -219.497 -52.4293 70.6372 -70.4931 28.77 PRESSAVG: 3594000 -2.95644 -55.4969 -15.863 -55.4969 0.561858 20.1898 -15.863 20.1897 7.27556 GPRESSAVG: 3594000 -2.42007 -56.3224 -17.1404 -56.8957 -0.119981 19.9022 -14.7567 22.417 7.89298 TIMING: 3594000 CPU: 10758.9, 0.00308959/step Wall: 10758.9, 0.00308959/step, 1.20666 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: 3594000 748.9983 2046.0788 1927.3289 106.7042 -205908.4327 17692.6900 0.0000 0.0000 34218.4861 -149168.1464 298.8386 -183386.6325 -149079.6042 299.4169 -99.9702 -70.2162 558409.6843 1.6270 1.7843 PRESSURE: 3594200 -19.9224 -11.1806 8.26946 -11.1804 -10.7946 -99.966 8.2699 -99.9651 61.7287 GPRESSURE: 3594200 39.8283 36.8605 34.3567 -40.2169 21.3445 -133.358 -13.5125 -38.1215 61.3932 PRESSAVG: 3594200 37.3706 3.52043 -15.2333 3.52038 0.51469 -34.1651 -15.2332 -34.1651 8.64315 GPRESSAVG: 3594200 37.3303 4.1432 -13.4481 4.12385 0.362715 -34.5783 -16.9272 -34.1076 8.82015 TIMING: 3594200 CPU: 10759.6, 0.00307353/step Wall: 10759.6, 0.00307353/step, 1.20021 hours remaining, 205.945312 MB of memory in use. ENERGY: 3594200 721.8739 2077.6045 1949.1520 98.6546 -206270.2199 17784.2559 0.0000 0.0000 34401.1119 -149237.5671 300.4335 -183638.6790 -149133.8677 299.4887 10.3372 40.8553 556700.0133 15.5095 15.5044 PRESSURE: 3594400 130.952 97.9466 -5.71338 97.9474 276.482 22.2182 -5.71264 22.2191 138.801 GPRESSURE: 3594400 161.992 59.6882 -35.9687 126.526 318.742 -26.1276 -47.4399 4.6776 172.11 PRESSAVG: 3594400 39.4492 24.2106 -4.81209 24.2107 -42.1998 48.0156 -4.81211 48.0157 -18.6326 GPRESSAVG: 3594400 39.7178 22.7927 -5.43086 24.8774 -42.7566 47.5802 -3.74935 47.028 -18.6184 TIMING: 3594400 CPU: 10760.2, 0.00305366/step Wall: 10760.2, 0.00305366/step, 1.19229 hours remaining, 205.945312 MB of memory in use. ENERGY: 3594400 754.7371 2098.8715 1955.6846 111.2007 -206732.2320 18228.2097 0.0000 0.0000 34399.6288 -149183.8995 300.4205 -183583.5283 -149085.2780 298.9775 182.0785 217.6148 557201.6859 -7.1277 -7.2191 PRESSURE: 3594600 -169.865 -118.28 -27.8636 -118.28 -177.648 175.465 -27.8639 175.466 -124.604 GPRESSURE: 3594600 -117.049 -65.8538 -29.179 -191.394 -173.758 197.026 71.2076 159.381 -86.4385 PRESSAVG: 3594600 14.5684 2.12683 0.470162 2.12678 55.3766 23.5731 0.470375 23.5731 -36.4383 GPRESSAVG: 3594600 14.2234 3.5531 0.417813 1.32761 55.7205 24.1562 1.11152 23.3588 -36.834 TIMING: 3594600 CPU: 10760.8, 0.00304755/step Wall: 10760.8, 0.00304755/step, 1.18973 hours remaining, 205.945312 MB of memory in use. ENERGY: 3594600 751.4338 2104.5794 1982.0421 113.8004 -205909.5917 17528.9392 0.0000 0.0000 34326.3137 -149102.4832 299.7802 -183428.7969 -149007.1809 299.8596 -157.3723 -125.7485 558421.3379 11.1689 11.0366 PRESSURE: 3594800 274.581 99.5797 11.9596 99.5795 244.191 -131.093 11.9602 -131.093 219.279 GPRESSURE: 3594800 297.569 -5.58294 25.2425 120.517 325.799 -91.7525 -17.672 -91.6487 206.237 PRESSAVG: 3594800 31.9438 -7.81912 6.59056 -7.81903 -6.54513 19.9369 6.5905 19.9369 -12.227 GPRESSAVG: 3594800 31.1686 -8.07587 5.84954 -6.43449 -6.04085 20.4997 7.43688 20.7328 -11.8586 TIMING: 3594800 CPU: 10761.4, 0.00304599/step Wall: 10761.4, 0.00304599/step, 1.18895 hours remaining, 205.945312 MB of memory in use. ENERGY: 3594800 753.5632 2083.1883 1967.5184 123.9243 -206575.2713 18185.4280 0.0000 0.0000 34360.6610 -149100.9882 300.0802 -183461.6492 -149016.1992 300.0933 246.0171 276.5350 555725.2426 4.3906 4.4231 PRESSURE: 3595000 10.1003 -143.648 -35.5921 -143.649 34.7955 -78.5251 -35.5923 -78.5265 25.0155 GPRESSURE: 3595000 6.31912 -152.729 -55.3395 -132.283 114.771 -99.4775 -29.5883 -97.7506 63.363 PRESSAVG: 3595000 29.9228 6.47293 4.02926 6.47294 23.8769 26.1201 4.02932 26.1201 -20.8762 GPRESSAVG: 3595000 30.8318 6.11276 5.27974 7.17169 23.6749 25.9635 1.91472 25.6479 -20.9574 TIMING: 3595000 CPU: 10762, 0.00305785/step Wall: 10762, 0.00305785/step, 1.19341 hours remaining, 205.945312 MB of memory in use. ENERGY: 3595000 746.4749 2047.0275 1938.7747 102.4856 -206231.8673 17829.9934 0.0000 0.0000 34468.0926 -149099.0186 301.0184 -183567.1112 -148996.5350 299.8220 23.3038 61.4844 556493.0243 10.9745 11.1831 PRESSURE: 3595200 -284.732 -76.9325 273.577 -76.9334 -126.547 140.213 273.576 140.212 16.2124 GPRESSURE: 3595200 -221.07 -50.8101 246.891 -92.8998 -46.742 133.363 182.515 203.67 -26.9412 PRESSAVG: 3595200 -45.9859 -35.7776 -8.99274 -35.7776 78.7792 27.3541 -8.99268 27.3541 -0.315948 GPRESSAVG: 3595200 -45.5989 -35.0317 -9.19951 -38.3227 80.4243 25.6581 -11.7473 28.8296 -1.8151 TIMING: 3595200 CPU: 10762.6, 0.00305202/step Wall: 10762.6, 0.00305202/step, 1.19097 hours remaining, 205.945312 MB of memory in use. ENERGY: 3595200 756.3655 2084.3514 1951.9265 99.6840 -205834.5257 17541.3685 0.0000 0.0000 34336.4831 -149064.3468 299.8690 -183400.8298 -148967.8151 300.7989 -131.6891 -98.2510 558333.7797 10.8258 11.0034 PRESSURE: 3595400 28.6785 -9.92873 -79.0822 -9.92818 59.0418 -83.2269 -79.0802 -83.2275 20.7381 GPRESSURE: 3595400 48.1425 -39.5952 73.1259 -37.6809 97.9937 -129.777 -177.506 -61.8561 67.831 PRESSAVG: 3595400 55.5818 -12.9797 35.9937 -12.9797 -13.9283 4.28766 35.9938 4.28764 -62.1409 GPRESSAVG: 3595400 55.9771 -12.0907 35.4257 -12.6924 -14.8495 5.75575 37.8414 3.01592 -62.0137 TIMING: 3595400 CPU: 10763.2, 0.00306333/step Wall: 10763.2, 0.00306333/step, 1.19521 hours remaining, 205.945312 MB of memory in use. ENERGY: 3595400 749.4634 2099.2537 1925.6915 102.8427 -206226.9470 17830.8865 0.0000 0.0000 34355.8923 -149162.9170 300.0386 -183518.8092 -149057.1323 299.5673 36.1528 71.3224 557655.6522 -6.8291 -6.9620 PRESSURE: 3595600 -114.46 -109.787 130.102 -109.786 87.4209 26.645 130.102 26.6459 -166.957 GPRESSURE: 3595600 -116.983 -102.464 4.27532 -93.7499 112.78 136.874 189.497 -17.2793 -88.5209 PRESSAVG: 3595600 -2.20776 -3.61386 2.01172 -3.61387 -0.093968 -45.7614 2.01174 -45.7613 -59.2281 GPRESSAVG: 3595600 -3.0488 -5.43254 3.7465 -3.06227 0.805077 -45.2626 1.75091 -45.6516 -59.0107 TIMING: 3595600 CPU: 10763.8, 0.00302386/step Wall: 10763.8, 0.00302386/step, 1.17964 hours remaining, 205.945312 MB of memory in use. ENERGY: 3595600 732.3215 2056.8357 1943.5557 111.1954 -206064.2447 17884.4770 0.0000 0.0000 34200.6465 -149135.2130 298.6828 -183335.8594 -149043.3997 299.3195 -64.6653 -30.9079 560356.3137 -20.5099 -20.4181 PRESSURE: 3595800 -88.9746 -136.552 -62.1977 -136.552 195.257 -127.758 -62.1966 -127.76 -88.9136 GPRESSURE: 3595800 -89.9134 -184.219 -30.1513 -46.429 238.728 -179.334 -14.1235 -159.373 -24.2205 PRESSAVG: 3595800 -20.706 -70.5181 -11.9007 -70.5181 58.142 54.261 -11.9007 54.261 -58.9007 GPRESSAVG: 3595800 -21.3 -70.9946 -13.3394 -69.0317 57.3857 54.7675 -9.05805 53.268 -57.8941 TIMING: 3595800 CPU: 10764.4, 0.00302303/step Wall: 10764.4, 0.00302303/step, 1.17915 hours remaining, 205.945312 MB of memory in use. ENERGY: 3595800 741.1181 2143.4205 1904.3447 115.1239 -206436.0396 17984.7399 0.0000 0.0000 34515.0866 -149032.2059 301.4288 -183547.2926 -148925.3512 299.6275 5.7897 41.5314 559267.9673 -7.1549 -7.2695 PRESSURE: 3596000 92.32 107.949 103.968 107.95 -163.871 20.4082 103.969 20.4082 44.4567 GPRESSURE: 3596000 108.621 133.308 154.829 151.477 -129.794 4.99449 8.49835 16.8551 81.7586 PRESSAVG: 3596000 60.0056 12.1503 29.3409 12.1504 -12.9862 76.4591 29.3409 76.4591 -32.2197 GPRESSAVG: 3596000 60.1486 12.9502 28.9398 11.6812 -11.8826 73.8848 27.1377 78.969 -33.9023 TIMING: 3596000 CPU: 10765, 0.00304146/step Wall: 10765, 0.00304146/step, 1.18617 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: 3596000 780.1798 2095.1055 1915.3999 103.4743 -205907.6869 17859.8151 0.0000 0.0000 34036.7902 -149116.9221 297.2518 -183153.7122 -149026.3561 299.8890 -9.0313 20.1953 558612.9226 4.9333 4.7879 PRESSURE: 3596200 23.3711 32.8914 25.5421 32.8913 32.7183 -8.87349 25.5432 -8.87215 41.4789 GPRESSURE: 3596200 18.5372 54.2118 21.0669 11.3359 79.4144 66.4816 -0.101957 41.0693 100.367 PRESSAVG: 3596200 50.3994 -13.293 28.2177 -13.293 -32.501 32.1825 28.2177 32.1826 -27.23 GPRESSAVG: 3596200 50.4131 -11.4285 29.6419 -13.9693 -32.6531 34.3143 28.3455 31.2722 -26.9402 TIMING: 3596200 CPU: 10765.6, 0.00303418/step Wall: 10765.6, 0.00303418/step, 1.18316 hours remaining, 205.945312 MB of memory in use. ENERGY: 3596200 769.1233 2090.0330 1941.7843 109.3071 -206191.6138 17984.5492 0.0000 0.0000 34273.7708 -149023.0461 299.3214 -183296.8168 -148937.8262 299.5906 32.5227 66.1062 558688.4586 -3.1105 -3.0601 LDB: ============= START OF LOAD BALANCING ============== 10769.1 LDB: ============== END OF LOAD BALANCING =============== 10769.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10769.1 LDB: ============= START OF LOAD BALANCING ============== 10769.4 LDB: Largest compute 4820 load 0.024186 is 20.5% of average load 0.118061 LDB: Average compute 0.001736 is 1.5% of average load 0.118061 LDB: TIME 10769.4 LOAD: AVG 0.118061 MAX 0.218537 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.969 MB LDB: TIME 10769.4 LOAD: AVG 0.118061 MAX 0.218537 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.031 MB LDB: TIME 10769.4 LOAD: AVG 0.118061 MAX 0.218537 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.031 MB LDB: ============== END OF LOAD BALANCING =============== 10769.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10769.4 PRESSURE: 3596400 -251.208 6.24853 -9.76066 6.24926 43.628 -24.3916 -9.7612 -24.3924 -390.251 GPRESSURE: 3596400 -191.187 17.5135 -80.3999 45.2799 63.3517 16.5076 -26.3794 16.1774 -369.265 PRESSAVG: 3596400 -0.375259 -0.820683 3.99448 -0.820684 44.524 -5.88172 3.99441 -5.8816 -42.7669 GPRESSAVG: 3596400 -0.0319837 -1.91035 5.0849 -0.85361 43.5189 -3.32004 2.37215 -8.95597 -41.8487 TIMING: 3596400 CPU: 10766.3, 0.00312349/step Wall: 10766.3, 0.00312349/step, 1.21781 hours remaining, 205.945312 MB of memory in use. ENERGY: 3596400 741.8916 2075.9102 1921.8091 115.5864 -205829.3911 17599.5001 0.0000 0.0000 34421.7690 -148952.9248 300.6139 -183374.6938 -148854.5917 299.7108 -199.2768 -165.7001 559251.5820 0.4606 0.5461 PRESSURE: 3596600 52.1328 70.0734 -4.70567 70.074 91.7262 67.1502 -4.70448 67.1498 -209.162 GPRESSURE: 3596600 59.3738 69.675 37.7775 62.1052 130.561 12.9731 -63.7793 67.7358 -171.469 PRESSAVG: 3596600 -19.0309 8.91902 9.78926 8.91906 57.4229 37.4217 9.78934 37.4219 -25.2405 GPRESSAVG: 3596600 -20.1393 8.81806 9.6191 10.0781 58.1394 35.294 9.01353 39.4724 -25.0841 TIMING: 3596600 CPU: 10766.9, 0.00306849/step Wall: 10766.9, 0.00306849/step, 1.1962 hours remaining, 206.148438 MB of memory in use. ENERGY: 3596600 715.5510 2107.1065 1920.3099 112.6193 -205655.6142 17500.5271 0.0000 0.0000 34320.6045 -148978.8959 299.7304 -183299.5003 -148892.4694 300.0249 -21.7676 6.1554 557116.6365 4.3838 4.3053 PRESSURE: 3596800 -282.812 61.2056 57.5221 61.2051 38.8219 83.7726 57.5222 83.7735 33.2228 GPRESSURE: 3596800 -230.828 34.1109 65.9276 99.707 57.7604 90.9498 123.037 57.0863 70.0578 PRESSAVG: 3596800 31.8298 82.0537 5.85909 82.0536 64.8414 -9.04508 5.85914 -9.04496 -66.7467 GPRESSAVG: 3596800 32.97 83.1528 5.37831 81.4511 64.5493 -9.4918 8.30803 -8.46397 -67.9767 TIMING: 3596800 CPU: 10767.5, 0.0030422/step Wall: 10767.5, 0.0030422/step, 1.18578 hours remaining, 206.148438 MB of memory in use. ENERGY: 3596800 735.1051 2115.3946 1953.2498 117.4547 -205566.4649 17582.8257 0.0000 0.0000 34142.6400 -148919.7951 298.1762 -183062.4351 -148831.9347 299.6397 -70.2557 -34.3367 557330.6036 9.9748 9.8475 PRESSURE: 3597000 -38.4127 54.1169 -99.1993 54.1176 -39.3608 -59.0882 -99.1988 -59.0867 -190.324 GPRESSURE: 3597000 -18.5078 37.2085 -126.889 84.6072 -13.0218 -44.1527 -92.3991 -84.3944 -146.518 PRESSAVG: 3597000 18.8298 81.7643 -10.3509 81.7644 43.3627 28.6742 -10.3509 28.6743 -67.1332 GPRESSAVG: 3597000 19.1613 82.593 -10.375 80.4557 41.3854 28.8006 -10.6785 27.341 -65.8494 TIMING: 3597000 CPU: 10768.1, 0.00302788/step Wall: 10768.1, 0.00302788/step, 1.18003 hours remaining, 206.148438 MB of memory in use. ENERGY: 3597000 802.1455 2057.9245 1958.0659 121.3650 -205746.4700 17474.0115 0.0000 0.0000 34418.5419 -148914.4156 300.5857 -183332.9575 -148814.6312 299.9203 -89.3660 -59.3493 556988.7937 -1.6469 -1.7676 PRESSURE: 3597200 5.1545 -57.8016 114.05 -57.801 -15.4177 -30.9522 114.049 -30.9514 -114.28 GPRESSURE: 3597200 43.2493 -65.7118 121.587 -71.2034 4.68051 9.74313 75.1432 -38.9355 -86.3186 PRESSAVG: 3597200 -44.4548 -71.1952 10.2886 -71.1952 1.77504 20.2058 10.2885 20.2058 25.1304 GPRESSAVG: 3597200 -45.0807 -70.9994 9.93626 -73.4114 4.18849 20.5018 10.2914 19.3249 23.2976 TIMING: 3597200 CPU: 10768.7, 0.00305112/step Wall: 10768.7, 0.00305112/step, 1.18892 hours remaining, 206.148438 MB of memory in use. ENERGY: 3597200 719.0434 2100.5907 1951.7268 112.4351 -205974.0674 17779.7949 0.0000 0.0000 34114.1745 -149196.3020 297.9276 -183310.4765 -149098.2577 299.6871 -41.5143 -12.7963 558631.7268 -5.8498 -5.8649 PRESSURE: 3597400 -25.2343 -155.9 -38.9053 -155.899 -39.4476 120.684 -38.9049 120.683 20.2055 GPRESSURE: 3597400 42.6416 -127.177 4.52802 -104.96 -32.6544 148.368 -34.682 33.1876 24.7505 PRESSAVG: 3597400 -9.36714 -26.3105 7.26795 -26.3105 21.648 60.2943 7.26796 60.2943 24.2753 GPRESSAVG: 3597400 -10.4015 -27.9204 7.67207 -23.1982 20.3572 60.1372 8.3596 62.7634 26.5914 TIMING: 3597400 CPU: 10769.3, 0.00305214/step Wall: 10769.3, 0.00305214/step, 1.18915 hours remaining, 206.148438 MB of memory in use. ENERGY: 3597400 738.6309 2141.4285 1948.8253 110.3947 -206267.9391 17928.5834 0.0000 0.0000 34275.9888 -149124.0876 299.3407 -183400.0764 -149022.7636 299.3027 -14.8255 11.5792 558884.7345 12.1854 12.1824 PRESSURE: 3597600 -94.9454 -51.1642 -2.79692 -51.1627 6.68189 -21.9811 -2.79608 -21.982 -57.0858 GPRESSURE: 3597600 -67.4963 -21.1137 -5.25122 28.8106 28.9069 -89.1586 14.5844 51.456 -10.8545 PRESSAVG: 3597600 26.513 19.322 -25.9721 19.3221 -30.8902 2.77174 -25.972 2.77179 13.7952 GPRESSAVG: 3597600 27.496 20.3558 -27.3689 17.4979 -30.0595 1.84846 -25.938 1.77599 11.6622 TIMING: 3597600 CPU: 10769.9, 0.00307531/step Wall: 10769.9, 0.00307531/step, 1.198 hours remaining, 206.148438 MB of memory in use. ENERGY: 3597600 730.4654 2113.1371 1951.5729 117.2792 -206371.5891 17836.3350 0.0000 0.0000 34161.5429 -149461.2565 298.3413 -183622.7994 -149363.4331 299.3820 -48.4498 -16.4813 557390.2797 3.1393 3.0329 PRESSURE: 3597800 -174.284 -87.9109 -89.4276 -87.9115 -200.77 190.863 -89.4279 190.864 -16.3983 GPRESSURE: 3597800 -120.681 -26.172 -118.288 -129.605 -142.869 138.342 -82.2459 194.136 -17.6334 PRESSAVG: 3597800 -34.3106 61.8464 -15.3956 61.8464 8.79469 32.5423 -15.3956 32.5424 -9.1315 GPRESSAVG: 3597800 -34.6726 60.5165 -15.2778 62.3708 8.96811 31.7212 -16.5006 33.2953 -9.47678 TIMING: 3597800 CPU: 10770.5, 0.00306433/step Wall: 10770.5, 0.00306433/step, 1.19356 hours remaining, 206.148438 MB of memory in use. ENERGY: 3597800 747.9893 2106.7660 1948.3359 117.4182 -206312.8905 17687.1586 0.0000 0.0000 34244.5236 -149460.6988 299.0659 -183705.2225 -149372.9854 298.6630 -130.4842 -93.7279 557683.9770 -11.5491 -11.7271 PRESSURE: 3598000 -164.413 -184.618 -129.721 -184.618 -321.225 -84.8272 -129.72 -84.8269 -236.58 GPRESSURE: 3598000 -177.073 -94.1776 -134.8 -110.474 -291.06 -100.22 -54.4702 -72.0218 -169.392 PRESSAVG: 3598000 -22.0196 28.6961 0.117251 28.696 -19.0103 -3.03392 0.11723 -3.03395 34.214 GPRESSAVG: 3598000 -20.9415 28.7378 0.088512 28.1481 -21.785 -0.824469 1.80592 -5.8942 35.7652 TIMING: 3598000 CPU: 10771.2, 0.00305341/step Wall: 10771.2, 0.00305341/step, 1.18913 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: 3598000 721.8505 2120.2639 1973.5808 115.1225 -205886.8575 17460.9990 0.0000 0.0000 34110.3646 -149384.6762 297.8943 -183495.0408 -149286.2935 299.1208 -240.7393 -212.5083 558281.6146 -2.2720 -2.3204 PRESSURE: 3598200 78.9684 -147.065 -58.8326 -147.065 -256.412 -28.251 -58.8329 -28.2515 -354.919 GPRESSURE: 3598200 52.5529 -101.567 28.9768 -130.575 -203.865 21.9408 -115.852 -42.3892 -283.673 PRESSAVG: 3598200 -18.6071 -5.56918 60.1028 -5.56929 -38.187 -19.7781 60.1028 -19.7781 34.4847 GPRESSAVG: 3598200 -18.8399 -6.33875 61.3352 -3.18558 -36.4914 -21.7598 59.0983 -16.8221 33.5171 TIMING: 3598200 CPU: 10771.8, 0.00306223/step Wall: 10771.8, 0.00306223/step, 1.1924 hours remaining, 206.148438 MB of memory in use. ENERGY: 3598200 765.2503 2034.9040 1940.0907 112.1029 -206036.1960 17625.4094 0.0000 0.0000 34276.3403 -149282.0983 299.3438 -183558.4386 -149186.1831 298.3112 -177.4541 -144.9951 558842.5608 -7.4365 -7.2714 PRESSURE: 3598400 153.933 -213.064 -76.3245 -213.063 -80.5729 -57.5336 -76.3261 -57.5328 126.73 GPRESSURE: 3598400 182.351 -200.616 -97.981 -206.281 -14.8341 11.2299 -43.6796 -104.219 129.198 PRESSAVG: 3598400 24.3545 -20.9126 -13.1523 -20.9126 -37.6211 -75.6132 -13.1523 -75.6131 -10.5986 GPRESSAVG: 3598400 24.1864 -20.3058 -14.8965 -21.9926 -36.5518 -74.586 -13.1061 -75.9205 -10.9221 TIMING: 3598400 CPU: 10772.4, 0.00308388/step Wall: 10772.4, 0.00308388/step, 1.20066 hours remaining, 206.148438 MB of memory in use. ENERGY: 3598400 716.8202 2095.9473 1955.8390 100.2069 -206218.4357 17848.5172 0.0000 0.0000 34365.2496 -149135.8555 300.1203 -183501.1050 -149032.9655 299.6460 66.6967 98.9047 557746.8800 -7.9551 -7.7625 PRESSURE: 3598600 -3.69934 -33.2313 -264.134 -33.2315 110.461 12.0867 -264.133 12.0859 -19.8938 GPRESSURE: 3598600 34.8901 -54.1119 -203.835 -20.33 82.0667 9.84156 -246.563 -18.4525 72.3762 PRESSAVG: 3598600 80.6227 -17.3551 27.3269 -17.3553 -54.2546 40.426 27.3269 40.426 -23.3205 GPRESSAVG: 3598600 80.7078 -16.5542 28.4451 -17.4851 -55.6605 39.8364 26.6853 38.9952 -22.0513 TIMING: 3598600 CPU: 10773, 0.0030297/step Wall: 10773, 0.0030297/step, 1.17939 hours remaining, 206.148438 MB of memory in use. ENERGY: 3598600 744.9139 2080.3225 1914.7118 107.1826 -206192.5292 17904.7937 0.0000 0.0000 34342.4178 -149098.1869 299.9209 -183440.6047 -149000.8399 299.6756 28.9560 63.1110 558661.2033 1.0159 0.9987 PRESSURE: 3598800 16.4859 47.6337 -208.634 47.6343 -270.018 57.4457 -208.634 57.444 -248.541 GPRESSURE: 3598800 14.8411 -56.411 -273.073 159.826 -280.708 12.0041 -135.098 103.509 -144.156 PRESSAVG: 3598800 64.5716 40.2767 -31.6635 40.2768 37.6897 -4.57997 -31.6636 -4.57997 -36.9992 GPRESSAVG: 3598800 64.2378 37.5551 -31.9541 41.9101 38.2309 -4.88952 -30.4764 -2.41841 -37.6463 TIMING: 3598800 CPU: 10773.6, 0.00304491/step Wall: 10773.6, 0.00304491/step, 1.18515 hours remaining, 206.148438 MB of memory in use. ENERGY: 3598800 736.4654 2120.9843 1931.0120 131.1433 -205992.8549 17566.0007 0.0000 0.0000 34319.8854 -149187.3638 299.7241 -183507.2491 -149087.3675 299.3016 -167.3578 -136.6743 557921.9699 21.7540 21.6075 PRESSURE: 3599000 -131.892 17.0646 -49.6177 17.0644 -21.9678 1.34448 -49.6179 1.34602 103.632 GPRESSURE: 3599000 -66.8303 -32.7862 -65.3626 31.9094 33.5649 -39.0094 -71.4283 -30.1947 84.365 PRESSAVG: 3599000 110.463 35.1521 -43.8902 35.1521 -89.5817 -16.7857 -43.8902 -16.7857 16.6822 GPRESSAVG: 3599000 112.286 37.3653 -43.4259 32.4732 -90.7827 -15.6657 -46.4574 -16.1145 15.2636 TIMING: 3599000 CPU: 10774.2, 0.00307482/step Wall: 10774.2, 0.00307482/step, 1.19662 hours remaining, 206.148438 MB of memory in use. ENERGY: 3599000 781.2027 2057.7319 1939.6453 122.5152 -206402.7896 17876.2795 0.0000 0.0000 34388.7027 -149236.7124 300.3251 -183625.4150 -149138.7120 298.4528 -16.7426 17.0332 556759.4513 12.5213 12.2555 PRESSURE: 3599200 -179.073 -11.0989 -239.035 -11.099 -27.576 -51.3788 -239.035 -51.3801 18.0549 GPRESSURE: 3599200 -105.685 -8.95775 -201.992 -75.2922 13.319 -39.5538 -252.127 38.6143 -11.2008 PRESSAVG: 3599200 -31.3475 -32.2681 -98.8466 -32.2681 -10.203 10.8867 -98.8466 10.8869 37.7154 GPRESSAVG: 3599200 -31.4449 -30.6727 -99.64 -32.632 -10.1267 12.2463 -96.7016 7.73521 37.9223 TIMING: 3599200 CPU: 10774.8, 0.00304558/step Wall: 10774.8, 0.00304558/step, 1.18507 hours remaining, 206.148438 MB of memory in use. ENERGY: 3599200 746.0830 2001.1041 1935.8810 120.0044 -205765.4866 17602.2859 0.0000 0.0000 34251.9568 -149108.1714 299.1309 -183360.1282 -149014.6093 299.0650 -62.8647 -34.5221 557683.7643 -1.2784 -1.2164 PRESSURE: 3599400 353.057 -137.374 -79.7808 -137.374 162.328 -103.495 -79.7811 -103.496 86.8184 GPRESSURE: 3599400 321.682 -151.198 -180.022 -164.221 193.171 -93.5112 -50.6169 -168.766 175.215 PRESSAVG: 3599400 14.6109 -20.9257 -73.7715 -20.9257 64.6663 -77.1706 -73.7716 -77.1704 -25.5658 GPRESSAVG: 3599400 14.8307 -23.528 -73.8931 -19.1712 65.0666 -80.7326 -74.2048 -75.1812 -26.0296 TIMING: 3599400 CPU: 10775.4, 0.00305069/step Wall: 10775.4, 0.00305069/step, 1.18689 hours remaining, 206.148438 MB of memory in use. ENERGY: 3599400 713.5536 2138.4902 1945.8507 104.0384 -205969.0418 17773.3426 0.0000 0.0000 34167.0671 -149126.6993 298.3895 -183293.7664 -149027.3795 299.7774 200.7348 230.0226 557240.1550 17.9038 17.9559 PRESSURE: 3599600 175.312 198.882 45.3675 198.88 -229.007 -25.0883 45.3664 -25.0885 -71.6994 GPRESSURE: 3599600 218.965 183.415 26.8686 177.23 -248.861 -37.6062 51.4816 25.4924 9.36532 PRESSAVG: 3599600 -23.4434 15.552 -60.532 15.5519 54.7531 -26.7299 -60.532 -26.7299 5.3602 GPRESSAVG: 3599600 -23.1082 17.598 -60.0355 13.1454 55.4018 -22.2974 -59.561 -28.7565 5.11897 TIMING: 3599600 CPU: 10776, 0.00304203/step Wall: 10776, 0.00304203/step, 1.18335 hours remaining, 206.148438 MB of memory in use. ENERGY: 3599600 760.8188 2080.1188 1937.5652 110.6857 -205839.3403 17528.1896 0.0000 0.0000 34442.5648 -148979.3974 300.7955 -183421.9622 -148882.6310 300.2694 -41.7981 -6.8438 558043.3455 12.2233 12.4709 PRESSURE: 3599800 206.78 -27.8493 -39.4446 -27.8494 102.809 17.8633 -39.4452 17.8616 -170.615 GPRESSURE: 3599800 206.882 32.1142 -32.8449 -33.1905 112.295 11.4557 -40.7059 15.5803 -89.9387 PRESSAVG: 3599800 -2.89795 29.3895 -69.3586 29.3895 -25.0625 2.05348 -69.3587 2.05338 -0.860341 GPRESSAVG: 3599800 -3.92108 25.2412 -69.3846 32.8736 -24.8481 -3.12555 -69.4786 3.62027 -0.0324855 TIMING: 3599800 CPU: 10776.7, 0.00306729/step Wall: 10776.7, 0.00306729/step, 1.193 hours remaining, 206.148438 MB of memory in use. ENERGY: 3599800 737.1153 2116.2058 1931.3855 110.5520 -206407.6763 17921.3965 0.0000 0.0000 34407.0429 -149183.9784 300.4853 -183591.0213 -149084.8981 300.3519 46.3249 76.4128 557888.1765 -9.6069 -9.6005 PRESSURE: 3600000 -231.942 -58.2427 -4.34491 -58.2426 -228.731 -14.7662 -4.34445 -14.7666 -304.7 GPRESSURE: 3600000 -215.166 -42.3898 76.4965 -49.5757 -202.432 47.5072 19.445 -26.0564 -238.518 PRESSAVG: 3600000 14.3506 -9.1106 -7.63128 -9.11051 -12.8458 5.57807 -7.63139 5.5781 -38.7242 GPRESSAVG: 3600000 13.505 -6.80617 -8.25359 -9.25322 -12.7689 7.47792 -8.26522 3.8245 -37.7888 TIMING: 3600000 CPU: 10777.3, 0.00305174/step Wall: 10777.3, 0.00305174/step, 1.18679 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: 3600000 760.0513 2101.6277 1959.0088 110.5907 -205487.5209 17288.0858 0.0000 0.0000 33981.1892 -149286.9675 296.7662 -183268.1567 -149186.4700 299.5781 -255.1243 -218.7052 557727.6666 -12.4065 -12.3509 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3600000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3600000 WRITING COORDINATES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3600200 34.7496 136.351 -59.1299 136.351 66.1329 179.09 -59.1301 179.089 -1.28801 GPRESSURE: 3600200 62.4794 158.854 -36.8726 162.487 34.9893 113.851 -89.8042 191.316 90.2378 PRESSAVG: 3600200 15.1402 49.8052 -26.0141 49.8052 -11.8817 -12.1699 -26.014 -12.17 -5.26483 GPRESSAVG: 3600200 15.1278 51.2756 -25.0616 47.6801 -11.0512 -12.813 -26.7029 -12.5728 -6.42696 TIMING: 3600200 CPU: 10777.9, 0.0033791/step Wall: 10777.9, 0.0033791/step, 1.31391 hours remaining, 206.148438 MB of memory in use. ENERGY: 3600200 738.1737 2141.5908 1919.5264 109.0426 -206468.8592 17933.0382 0.0000 0.0000 34323.4778 -149304.0098 299.7555 -183627.4876 -149218.9062 299.1343 33.1982 62.5688 558035.9910 -0.6688 -0.7835 LDB: ============= START OF LOAD BALANCING ============== 10781.4 LDB: ============== END OF LOAD BALANCING =============== 10781.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10781.4 LDB: ============= START OF LOAD BALANCING ============== 10781.7 LDB: Largest compute 4820 load 0.023656 is 20.0% of average load 0.118120 LDB: Average compute 0.001728 is 1.5% of average load 0.118120 LDB: TIME 10781.7 LOAD: AVG 0.11812 MAX 0.222132 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 10781.7 LOAD: AVG 0.11812 MAX 0.222132 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.719 MB LDB: TIME 10781.7 LOAD: AVG 0.11812 MAX 0.222132 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10781.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10781.7 PRESSURE: 3600400 -49.1371 30.8302 -78.2287 30.8295 -356.583 -1.15238 -78.2285 -1.15154 -65.3394 GPRESSURE: 3600400 -29.7382 96.0838 -101.642 -17.5589 -306.907 47.8922 -106.004 20.0609 -46.0589 PRESSAVG: 3600400 -31.0914 1.94729 13.4088 1.94722 56.9441 -74.1769 13.4086 -74.177 -12.9823 GPRESSAVG: 3600400 -31.6107 2.0636 13.5601 3.19876 56.6695 -72.9054 14.0291 -73.3206 -11.9875 TIMING: 3600400 CPU: 10778.6, 0.00311653/step Wall: 10778.6, 0.00311653/step, 1.21164 hours remaining, 206.925781 MB of memory in use. ENERGY: 3600400 768.8960 2146.2658 1937.7442 121.3388 -206152.7196 17771.6746 0.0000 0.0000 34252.7302 -149154.0700 299.1376 -183406.8002 -149054.3062 299.9715 -157.0200 -127.5679 557429.2952 4.2901 4.3571 PRESSURE: 3600600 -71.037 -18.9682 122.839 -18.9677 -192.319 42.8213 122.839 42.8225 1.12759 GPRESSURE: 3600600 -114.968 5.44385 142.364 -17.9588 -91.9753 19.055 166.486 -9.40671 44.6062 PRESSAVG: 3600600 -19.7738 15.638 -12.9955 15.638 34.66 -47.0747 -12.9955 -47.0747 -22.5551 GPRESSAVG: 3600600 -18.5054 14.0914 -14.6207 16.2152 34.2747 -49.131 -13.2929 -47.8014 -23.8606 TIMING: 3600600 CPU: 10779.2, 0.0030469/step Wall: 10779.2, 0.0030469/step, 1.1844 hours remaining, 206.925781 MB of memory in use. ENERGY: 3600600 767.1618 2036.6176 1940.9472 117.0502 -206133.6390 17767.0349 0.0000 0.0000 34321.8302 -149182.9971 299.7411 -183504.8273 -149081.1447 300.1715 -87.4094 -54.1123 558371.7256 -2.5563 -2.6971 PRESSURE: 3600800 237.296 173.285 -106.298 173.284 13.6852 72.8457 -106.3 72.8472 34.6818 GPRESSURE: 3600800 257.586 124.103 -89.5351 200.35 41.8263 39.4357 -146.869 54.5895 84.2678 PRESSAVG: 3600800 40.5092 -35.2253 12.1176 -35.2252 -10.7264 16.388 12.1177 16.388 -19.1381 GPRESSAVG: 3600800 40.5255 -35.8305 11.824 -34.9994 -10.9107 18.5878 12.4069 16.5742 -19.0109 TIMING: 3600800 CPU: 10779.8, 0.00303995/step Wall: 10779.8, 0.00303995/step, 1.18153 hours remaining, 206.925781 MB of memory in use. ENERGY: 3600800 764.0440 2137.4441 1932.9604 121.3481 -206209.4891 18012.5047 0.0000 0.0000 34277.6415 -148963.5463 299.3552 -183241.1879 -148864.1017 299.6228 95.2209 127.8935 557437.4511 3.5482 3.5346 PRESSURE: 3601000 113.301 -219.988 18.3656 -219.987 -26.8682 -62.5965 18.3657 -62.5961 1.31937 GPRESSURE: 3601000 107.532 -183.266 61.1899 -147.739 49.6956 -59.4644 -39.1027 -43.875 25.4878 PRESSAVG: 3601000 29.3108 -10.6656 -5.09271 -10.6656 -28.168 -46.0431 -5.09264 -46.0431 -15.4739 GPRESSAVG: 3601000 29.7866 -11.9953 -3.76036 -11.6633 -28.6301 -48.5846 -4.73756 -43.9555 -15.2458 TIMING: 3601000 CPU: 10780.4, 0.00306179/step Wall: 10780.4, 0.00306179/step, 1.18984 hours remaining, 206.925781 MB of memory in use. ENERGY: 3601000 734.7236 2178.4781 1942.3803 114.1831 -206178.4872 17767.4267 0.0000 0.0000 34574.2933 -148867.0020 301.9459 -183441.2954 -148761.4319 299.8812 29.2509 60.9053 558226.1384 -4.7770 -4.6965 PRESSURE: 3601200 74.758 -181.164 157.126 -181.163 53.7183 122.363 157.126 122.362 -74.5339 GPRESSURE: 3601200 106.857 -95.2787 121.724 -221.805 69.649 134.538 124.975 145.172 -24.1981 PRESSAVG: 3601200 -47.9286 -4.0198 24.9387 -4.01986 70.1591 19.8672 24.9387 19.8673 22.7805 GPRESSAVG: 3601200 -47.3691 -1.81062 23.8869 -4.76459 70.1143 20.4046 23.5066 19.5551 22.6717 TIMING: 3601200 CPU: 10781, 0.00304547/step Wall: 10781, 0.00304547/step, 1.18333 hours remaining, 206.925781 MB of memory in use. ENERGY: 3601200 749.0552 2128.1253 1905.5989 108.1698 -206244.2374 17926.8415 0.0000 0.0000 34442.6469 -148983.7998 300.7962 -183426.4467 -148889.8604 300.3833 17.9808 50.7693 558063.2255 15.0037 15.1390 PRESSURE: 3601400 -42.1924 169.32 275.444 169.321 -29.9107 -14.2552 275.444 -14.2552 -179.91 GPRESSURE: 3601400 18.1159 100.881 207.16 160.139 -15.6672 74.5244 254.528 -64.8097 -160.555 PRESSAVG: 3601400 -39.9426 27.9207 12.8543 27.9208 35.4282 -36.1075 12.8543 -36.1075 0.162052 GPRESSAVG: 3601400 -40.4644 28.8024 13.3597 27.355 35.3692 -37.1033 12.6584 -38.1617 0.218009 TIMING: 3601400 CPU: 10781.6, 0.00304777/step Wall: 10781.6, 0.00304777/step, 1.18406 hours remaining, 206.925781 MB of memory in use. ENERGY: 3601400 754.9532 2061.7526 1955.9749 125.0578 -205882.0253 17631.4940 0.0000 0.0000 34276.8464 -149075.9463 299.3482 -183352.7927 -148976.6492 299.8418 -84.0044 -52.7022 557983.7199 -1.4508 -1.6257 PRESSURE: 3601600 -39.164 60.2664 39.8019 60.2671 117.465 -87.931 39.8004 -87.9311 -209.508 GPRESSURE: 3601600 17.3672 -20.9221 134.827 -33.418 132.824 -124.921 53.0828 -61.2316 -161.749 PRESSAVG: 3601600 -60.337 -28.5975 -38.4334 -28.5975 94.0885 3.59038 -38.4334 3.59041 -42.1742 GPRESSAVG: 3601600 -60.5754 -29.7908 -39.006 -26.9341 94.0258 5.82244 -38.9732 3.34173 -41.1264 TIMING: 3601600 CPU: 10782.2, 0.00302345/step Wall: 10782.2, 0.00302345/step, 1.17444 hours remaining, 206.925781 MB of memory in use. ENERGY: 3601600 716.4386 2081.3917 1953.2408 116.8623 -206323.5223 17957.5218 0.0000 0.0000 34304.7551 -149193.3120 299.5920 -183498.0672 -149095.9415 299.9730 -43.7358 -3.8525 558075.1556 -2.8076 -2.5587 PRESSURE: 3601800 -174.517 -117.469 -192.333 -117.469 -90.087 -19.0415 -192.335 -19.0427 114.782 GPRESSURE: 3601800 -120.074 -97.0629 -212.022 -218.473 -31.4626 34.0596 -149.044 47.694 93.622 PRESSAVG: 3601800 -36.5315 -9.49367 -65.2672 -9.49363 24.7221 0.64193 -65.2672 0.641882 -16.2965 GPRESSAVG: 3601800 -35.7343 -9.3557 -65.5433 -9.92218 25.6601 0.120794 -63.735 1.94221 -18.1159 TIMING: 3601800 CPU: 10782.8, 0.00303833/step Wall: 10782.8, 0.00303833/step, 1.18005 hours remaining, 206.925781 MB of memory in use. ENERGY: 3601800 771.4070 2139.1575 1952.0638 110.3951 -206410.7057 18031.4887 0.0000 0.0000 34234.6339 -149171.5597 298.9796 -183406.1936 -149073.2255 299.4514 -49.9407 -19.3050 557950.2925 -9.3687 -9.3967 PRESSURE: 3602000 19.8841 184.692 14.1213 184.693 -178.36 153.572 14.1231 153.572 -124.253 GPRESSURE: 3602000 29.5969 208.25 -23.0973 163.356 -111.971 162.1 10.6209 102.427 -109.692 PRESSAVG: 3602000 -63.5145 -13.8796 20.9514 -13.8796 43.8458 17.5904 20.9514 17.5903 -18.7854 GPRESSAVG: 3602000 -63.992 -14.9126 19.7164 -14.3582 43.3653 18.258 20.9784 16.2725 -18.2673 TIMING: 3602000 CPU: 10783.4, 0.00303646/step Wall: 10783.4, 0.00303646/step, 1.17916 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: 3602000 773.3496 2074.8355 1968.2946 106.3081 -205742.4142 17574.9935 0.0000 0.0000 34315.6012 -148929.0318 299.6867 -183244.6330 -148832.5991 299.1440 -94.2429 -64.0220 558142.7313 -12.8180 -12.9647 PRESSURE: 3602200 142.206 13.4927 205.181 13.4927 150.505 -220.332 205.181 -220.331 306.312 GPRESSURE: 3602200 188.268 45.7976 198.157 -37.045 145.142 -207.998 200.465 -265.286 369.647 PRESSAVG: 3602200 -20.0976 9.97474 10.0846 9.97469 -49.317 -11.8818 10.0846 -11.882 123.548 GPRESSAVG: 3602200 -19.5482 11.8426 11.443 10.9517 -49.976 -11.5641 7.64387 -12.9699 123.162 TIMING: 3602200 CPU: 10784, 0.00305402/step Wall: 10784, 0.00305401/step, 1.18581 hours remaining, 206.925781 MB of memory in use. ENERGY: 3602200 765.5039 2110.4566 1942.3889 127.2390 -206299.6579 18138.9918 0.0000 0.0000 34298.8083 -148916.2696 299.5400 -183215.0778 -148821.3366 299.9422 199.6746 234.3524 557646.8527 18.0444 17.8793 PRESSURE: 3602400 -21.3636 -0.0476104 -73.6686 -0.0463745 -267.116 116.125 -73.6677 116.125 -104.804 GPRESSURE: 3602400 -2.92762 -39.6381 -100.684 -3.28456 -202.059 179.342 -136.064 94.5997 -76.9203 PRESSAVG: 3602400 61.4597 44.8345 26.3512 44.8345 -14.2527 23.6883 26.3511 23.6883 -1.87233 GPRESSAVG: 3602400 61.2065 43.7466 24.8691 46.269 -13.277 23.6731 29.2591 22.6749 -2.56578 TIMING: 3602400 CPU: 10784.7, 0.00303572/step Wall: 10784.7, 0.00303572/step, 1.17853 hours remaining, 206.925781 MB of memory in use. ENERGY: 3602400 765.2059 2113.0198 1927.6362 120.4085 -205985.6080 17578.7788 0.0000 0.0000 34517.3569 -148963.2018 301.4487 -183480.5587 -148859.9379 300.1813 -131.0947 -93.9691 558938.9651 15.1116 15.1212 PRESSURE: 3602600 124.067 31.805 -180.314 31.8041 93.0387 101.949 -180.313 101.949 -96.0561 GPRESSURE: 3602600 173.227 23.1071 -124.734 126.954 60.454 196.829 -221.551 143.153 -16.7261 PRESSAVG: 3602600 -11.2768 54.3798 -29.5037 54.3798 -84.4016 11.8609 -29.5038 11.8608 75.7935 GPRESSAVG: 3602600 -11.3312 53.8918 -28.7416 52.4793 -85.0117 11.8918 -29.643 13.8156 76.0685 TIMING: 3602600 CPU: 10785.3, 0.00304269/step Wall: 10785.3, 0.00304269/step, 1.18107 hours remaining, 206.925781 MB of memory in use. ENERGY: 3602600 742.2647 2101.1944 1957.6559 97.3499 -206249.5342 17927.7156 0.0000 0.0000 34513.3532 -148910.0006 301.4137 -183423.3538 -148812.2396 299.8378 40.3500 72.3184 559104.4030 -6.6283 -6.7581 PRESSURE: 3602800 -0.244922 145.413 -24.6577 145.413 58.2049 -13.536 -24.659 -13.5369 165.785 GPRESSURE: 3602800 28.3388 147.86 -17.8443 128.793 118.835 101.563 -53.595 -83.8499 174.555 PRESSAVG: 3602800 63.3747 6.65791 -23.1821 6.65792 -90.2184 22.1092 -23.1821 22.1091 22.3515 GPRESSAVG: 3602800 64.9495 4.62009 -23.4134 8.04167 -90.8997 21.8712 -21.296 21.9656 22.3605 TIMING: 3602800 CPU: 10785.9, 0.00304602/step Wall: 10785.9, 0.00304602/step, 1.1822 hours remaining, 206.925781 MB of memory in use. ENERGY: 3602800 747.7875 2086.8032 1951.4011 138.3375 -206230.2504 17907.2965 0.0000 0.0000 34446.6458 -148951.9788 300.8311 -183398.6245 -148856.2117 300.2068 74.5816 107.2430 557727.9195 -1.4974 -1.1966 PRESSURE: 3603000 144.237 8.85936 19.2396 8.85866 -353.751 -128.778 19.2395 -128.777 -80.3799 GPRESSURE: 3603000 181.075 8.46739 -35.9803 68.3829 -319.234 -71.324 -1.04994 -128.202 -62.6653 PRESSAVG: 3603000 37.0543 22.0459 21.857 22.0459 -62.8398 -0.218969 21.857 -0.219018 36.7846 GPRESSAVG: 3603000 36.5461 21.4254 23.5874 23.0857 -62.027 -1.0819 19.4663 1.48955 37.1155 TIMING: 3603000 CPU: 10786.5, 0.00306705/step Wall: 10786.5, 0.00306705/step, 1.19019 hours remaining, 206.925781 MB of memory in use. ENERGY: 3603000 779.3131 2090.3520 1932.0570 112.6621 -206038.0042 17739.4549 0.0000 0.0000 34230.2215 -149153.9436 298.9410 -183384.1651 -149052.9450 299.7601 -96.6311 -66.9414 558978.7924 3.6663 3.8782 PRESSURE: 3603200 -390.133 33.1319 -88.3526 33.1311 -233.922 -74.4383 -88.3531 -74.4407 -108.314 GPRESSURE: 3603200 -316.702 -28.6982 -87.2569 83.2593 -172.589 -93.8725 -102.966 -108.61 -151.641 PRESSAVG: 3603200 3.38618 18.8156 16.5154 18.8155 -108.584 -10.3152 16.5153 -10.3152 61.491 GPRESSAVG: 3603200 2.73245 19.3199 16.5536 16.8932 -108.577 -9.40372 16.958 -11.1802 61.9556 TIMING: 3603200 CPU: 10787.1, 0.00307254/step Wall: 10787.1, 0.00307254/step, 1.19214 hours remaining, 206.925781 MB of memory in use. ENERGY: 3603200 747.7660 2179.8033 1938.1407 116.8610 -205981.1726 17644.7465 0.0000 0.0000 34220.1300 -149133.7250 298.8529 -183353.8551 -149035.7903 299.5546 -244.1232 -213.6440 559361.0985 -14.5688 -14.6295 PRESSURE: 3603400 -115.974 -13.4098 -17.2555 -13.4097 -55.3309 16.0269 -17.2549 16.0268 -25.4474 GPRESSURE: 3603400 -61.2958 -24.8265 -42.9153 -60.8489 -26.7667 65.3284 -25.8172 -6.36116 -3.81924 PRESSAVG: 3603400 38.531 -24.5068 -7.32297 -24.5067 -29.1886 15.8246 -7.32291 15.8245 -31.1748 GPRESSAVG: 3603400 39.3427 -23.4954 -9.32443 -22.9218 -29.492 14.7924 -7.19111 15.3411 -31.2585 TIMING: 3603400 CPU: 10787.7, 0.00305892/step Wall: 10787.7, 0.00305892/step, 1.18669 hours remaining, 206.925781 MB of memory in use. ENERGY: 3603400 717.3982 2093.3097 1918.4162 120.4376 -206151.8951 17734.0143 0.0000 0.0000 34353.9185 -149214.4006 300.0213 -183568.3191 -149118.8991 299.5577 -65.5839 -30.6272 556743.0965 -7.2775 -7.1359 PRESSURE: 3603600 -76.7809 159.331 -28.6299 159.333 -219.372 47.5236 -28.6283 47.5224 -88.0606 GPRESSURE: 3603600 -100.741 147.058 -12.3294 124.109 -173.239 116.015 -18.5739 40.641 3.87213 PRESSAVG: 3603600 -19.663 49.5029 -11.9411 49.5029 -9.14731 30.4509 -11.941 30.451 18.8693 GPRESSAVG: 3603600 -20.7319 49.1852 -10.398 47.8296 -8.87574 30.9367 -11.3731 31.4962 20.0597 TIMING: 3603600 CPU: 10788.3, 0.00307728/step Wall: 10788.3, 0.00307728/step, 1.19364 hours remaining, 206.925781 MB of memory in use. ENERGY: 3603600 744.9787 2107.7090 1958.8269 116.5760 -205848.1121 17695.3320 0.0000 0.0000 34080.9827 -149143.7069 297.6377 -183224.6896 -149043.7663 298.9557 -128.0712 -90.0359 560118.7460 -3.3137 -3.1826 PRESSURE: 3603800 223.356 -10.8216 100.449 -10.8217 103.402 -19.4689 100.448 -19.4684 208.695 GPRESSURE: 3603800 247.747 29.3177 102.252 -39.0626 126.385 8.32837 32.389 12.0979 257.342 PRESSAVG: 3603800 -42.3823 54.7643 -2.51334 54.7642 21.3451 -6.62098 -2.51329 -6.62092 7.11495 GPRESSAVG: 3603800 -40.1131 54.8066 -1.41627 56.7592 20.7651 -6.54537 -3.83307 -7.23814 5.43033 TIMING: 3603800 CPU: 10788.9, 0.00307054/step Wall: 10788.9, 0.00307054/step, 1.19086 hours remaining, 206.925781 MB of memory in use. ENERGY: 3603800 714.6965 2133.3242 1965.7146 117.0068 -206827.2620 18438.3799 0.0000 0.0000 34395.3570 -149062.7831 300.3832 -183458.1401 -148967.7015 299.4224 178.4843 210.4915 559120.1138 -4.6407 -4.6392 PRESSURE: 3604000 -142.09 64.2915 -174.46 64.2919 35.7439 -70.8569 -174.459 -70.8563 26.4145 GPRESSURE: 3604000 -116.341 185.808 -91.4655 -92.6521 70.1801 -76.6921 -151.385 13.0142 59.2036 PRESSAVG: 3604000 -30.7032 32.8137 -35.4179 32.8136 30.0843 5.61255 -35.4178 5.6126 14.0385 GPRESSAVG: 3604000 -30.9572 33.8143 -35.9407 31.4878 30.8263 5.66685 -34.8238 4.59811 13.698 TIMING: 3604000 CPU: 10789.6, 0.00307266/step Wall: 10789.6, 0.00307266/step, 1.19151 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: 3604000 703.2174 2154.0889 1922.2592 119.7988 -205774.6527 17693.4324 0.0000 0.0000 34138.2450 -149043.6108 298.1378 -183181.8559 -148945.4611 299.1779 -26.6439 4.3476 559344.1338 4.4732 4.5224 PRESSURE: 3604200 72.6028 -128.327 -80.2349 -128.328 -108.701 106.305 -80.2344 106.303 -11.0406 GPRESSURE: 3604200 36.3329 -137.934 -121.011 -202.7 11.9183 176.319 -130.998 56.1533 4.19639 PRESSAVG: 3604200 11.0123 -42.3283 36.6394 -42.3283 -60.2235 18.0573 36.6394 18.0572 29.337 GPRESSAVG: 3604200 10.6295 -42.3762 36.1511 -43.2352 -60.8486 19.0172 36.3568 19.8971 30.6209 TIMING: 3604200 CPU: 10790.2, 0.00306393/step Wall: 10790.2, 0.00306393/step, 1.18795 hours remaining, 206.925781 MB of memory in use. ENERGY: 3604200 746.2669 2113.9062 1938.3132 110.1804 -206270.3116 17858.8190 0.0000 0.0000 34469.3332 -149033.4926 301.0293 -183502.8258 -148939.5545 299.5917 -15.7128 17.4825 557986.5012 -6.6247 -6.5327 LDB: ============= START OF LOAD BALANCING ============== 10793.6 LDB: ============== END OF LOAD BALANCING =============== 10793.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10793.6 LDB: ============= START OF LOAD BALANCING ============== 10793.9 LDB: Largest compute 4820 load 0.026298 is 22.3% of average load 0.118125 LDB: Average compute 0.001733 is 1.5% of average load 0.118125 LDB: TIME 10793.9 LOAD: AVG 0.118125 MAX 0.224075 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.562 MB LDB: TIME 10793.9 LOAD: AVG 0.118125 MAX 0.224075 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.633 MB LDB: TIME 10793.9 LOAD: AVG 0.118125 MAX 0.224075 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.633 MB LDB: ============== END OF LOAD BALANCING =============== 10793.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10793.9 PRESSURE: 3604400 8.81946 -122.735 -7.05427 -122.734 409.608 -140.699 -7.05396 -140.698 278.409 GPRESSURE: 3604400 92.5392 -91.9365 -66.8363 -59.5283 430.111 -90.3379 52.1065 -169.949 263.846 PRESSAVG: 3604400 -10.8882 -34.1794 5.04053 -34.1794 -17.5311 -34.961 5.04049 -34.961 73.0231 GPRESSAVG: 3604400 -10.3542 -32.79 6.02708 -34.905 -17.4128 -33.8361 5.42953 -37.5256 72.1696 TIMING: 3604400 CPU: 10790.8, 0.00313436/step Wall: 10790.8, 0.00313436/step, 1.21509 hours remaining, 206.457031 MB of memory in use. ENERGY: 3604400 732.1679 2122.8891 1950.8482 122.4097 -206553.1061 18144.9278 0.0000 0.0000 34487.7940 -148992.0694 301.1905 -183479.8634 -148890.9192 300.3337 232.2789 262.1656 558070.3577 14.8679 14.8009 PRESSURE: 3604600 69.4707 -108.353 -72.6768 -108.354 -26.5861 212.598 -72.6768 212.599 -197.279 GPRESSURE: 3604600 127.651 -37.9428 -48.5395 -100.586 -32.5477 204.33 -93.3663 207.357 -156.127 PRESSAVG: 3604600 -33.5397 -48.9394 -21.192 -48.9394 14.666 56.3591 -21.192 56.359 25.0331 GPRESSAVG: 3604600 -34.2031 -50.2074 -21.5273 -46.6381 14.8744 55.1371 -20.5128 57.3318 25.6905 TIMING: 3604600 CPU: 10791.4, 0.00308725/step Wall: 10791.4, 0.00308725/step, 1.19665 hours remaining, 206.660156 MB of memory in use. ENERGY: 3604600 722.1576 2086.6132 1924.1874 130.7594 -205931.8244 17749.2938 0.0000 0.0000 34416.8402 -148901.9727 300.5708 -183318.8130 -148801.5661 300.0594 -51.4647 -20.3413 559651.9013 2.0532 2.1206 PRESSURE: 3604800 116.941 -83.8345 -196.149 -83.8349 -37.9672 -87.8041 -196.148 -87.8029 398.336 GPRESSURE: 3604800 148.992 -39.2537 -199.374 -120.904 -8.9841 -87.5142 -280.419 -61.1292 435.823 PRESSAVG: 3604800 14.1255 -14.2845 -21.0421 -14.2845 24.3944 -17.476 -21.0421 -17.4759 -7.73735 GPRESSAVG: 3604800 14.3645 -14.7614 -21.6015 -14.5689 24.3368 -19.109 -22.1414 -15.3784 -8.03575 TIMING: 3604800 CPU: 10792, 0.00306/step Wall: 10792, 0.00306/step, 1.18592 hours remaining, 206.660156 MB of memory in use. ENERGY: 3604800 685.1579 2097.5628 1955.3971 125.5433 -206020.6762 17909.3459 0.0000 0.0000 34323.2099 -148924.4593 299.7531 -183247.6692 -148825.3843 300.2625 159.1035 191.9436 557339.3792 10.2609 10.2219 PRESSURE: 3605000 138.913 54.6211 -33.7505 54.6208 311.466 -10.0981 -33.7501 -10.0992 106.891 GPRESSURE: 3605000 200.088 19.2691 27.8842 94.7021 351.116 98.1674 -46.2067 -35.4651 95.4238 PRESSAVG: 3605000 1.06055 -44.9019 -3.73885 -44.902 -54.624 -36.5856 -3.7388 -36.5855 53.6552 GPRESSAVG: 3605000 0.766824 -44.4726 -1.64593 -45.2673 -53.657 -33.038 -5.30726 -40.5864 52.5112 TIMING: 3605000 CPU: 10792.6, 0.00308116/step Wall: 10792.6, 0.00308116/step, 1.19395 hours remaining, 206.660156 MB of memory in use. ENERGY: 3605000 769.1644 2084.2535 1943.3201 129.1660 -206294.7447 17984.4651 0.0000 0.0000 34330.2591 -149054.1164 299.8147 -183384.3755 -148966.3179 299.9653 185.7568 215.5424 556616.1726 0.0306 -0.1263 PRESSURE: 3605200 -89.5338 -60.1796 -101.204 -60.1786 -55.3949 -35.6129 -101.206 -35.6139 55.4949 GPRESSURE: 3605200 -37.6378 -132.315 -95.5049 -46.6043 -2.88389 1.66026 -129.618 -2.60143 62.1296 PRESSAVG: 3605200 -27.0744 -16.2302 17.8653 -16.2302 -37.8846 -2.3259 17.8653 -2.3259 38.8542 GPRESSAVG: 3605200 -27.8585 -17.2944 16.3615 -14.8386 -38.6949 -5.34148 19.9131 1.4136 40.1297 TIMING: 3605200 CPU: 10793.2, 0.00303776/step Wall: 10793.2, 0.00303776/step, 1.17696 hours remaining, 206.660156 MB of memory in use. ENERGY: 3605200 727.5559 2070.0724 1938.1610 112.7260 -205962.4231 17702.8160 0.0000 0.0000 34376.1012 -149034.9907 300.2150 -183411.0919 -148940.0187 300.0698 -29.8113 7.2026 558750.8802 -8.7016 -8.8079 PRESSURE: 3605400 -47.9208 55.6501 -50.7709 55.6492 -135.961 162.859 -50.7717 162.86 -64.5847 GPRESSURE: 3605400 22.2434 128.679 -39.1557 32.3898 -168.542 140.119 -97.5655 162.383 2.56774 PRESSAVG: 3605400 124.106 -66.5542 -54.8082 -66.5542 -59.2307 -6.47082 -54.8081 -6.47089 -16.9046 GPRESSAVG: 3605400 125.612 -66.8857 -55.5193 -67.4155 -59.9444 -4.0725 -54.3215 -8.60272 -17.3008 TIMING: 3605400 CPU: 10793.9, 0.00303641/step Wall: 10793.9, 0.00303641/step, 1.17627 hours remaining, 206.660156 MB of memory in use. ENERGY: 3605400 720.5571 2113.6938 1964.1178 115.2477 -206108.3047 17748.8146 0.0000 0.0000 34341.2407 -149104.6331 299.9106 -183445.8738 -149006.7493 300.0221 -82.8221 -47.9104 558439.8818 15.9903 16.1222 PRESSURE: 3605600 165.311 0.637413 42.586 0.63705 -91.4422 -52.1547 42.586 -52.1546 -237.678 GPRESSURE: 3605600 138.031 36.587 21.8763 27.0582 -9.68671 -140.103 59.7665 43.141 -198.122 PRESSAVG: 3605600 0.0953802 -30.0427 -19.4648 -30.0426 70.0256 -25.8157 -19.4647 -25.8158 -48.1268 GPRESSAVG: 3605600 -1.49789 -28.0527 -18.7066 -31.0294 71.0835 -28.4089 -22.0712 -24.4246 -48.1357 TIMING: 3605600 CPU: 10794.5, 0.00306962/step Wall: 10794.5, 0.00306963/step, 1.18897 hours remaining, 206.660156 MB of memory in use. ENERGY: 3605600 741.7810 2085.2599 1953.0284 115.1871 -206319.5077 17869.9445 0.0000 0.0000 34296.2122 -149258.0946 299.5174 -183554.3068 -149162.1485 299.7726 -54.6030 -23.2592 557434.1590 7.3314 7.1499 PRESSURE: 3605800 225.012 120.815 135.808 120.814 183.534 -83.0965 135.808 -83.0956 -10.6692 GPRESSURE: 3605800 290.726 142.391 117.546 118.746 207.129 -74.0056 125.953 -168.344 4.62137 PRESSAVG: 3605800 9.03009 3.20041 -31.799 3.20045 37.5887 -53.6413 -31.799 -53.6413 -29.2525 GPRESSAVG: 3605800 9.64045 3.51041 -31.4593 4.50681 36.3623 -53.8516 -30.1993 -53.117 -28.2385 TIMING: 3605800 CPU: 10795.1, 0.0030734/step Wall: 10795.1, 0.00307339/step, 1.19026 hours remaining, 206.660156 MB of memory in use. ENERGY: 3605800 695.8679 2068.7436 1955.3040 102.2701 -206361.6735 17927.0153 0.0000 0.0000 34493.0802 -149119.3923 301.2366 -183612.4726 -149016.6858 299.4739 132.6256 167.4920 556382.1063 5.7888 5.9214 PRESSURE: 3606000 -309.669 61.9117 54.8149 61.9127 -62.3476 -14.5367 54.8166 -14.5369 167.682 GPRESSURE: 3606000 -238.926 88.6489 93.547 114.768 -24.2814 91.2948 0.50995 -20.4905 153.306 PRESSAVG: 3606000 15.3782 -4.31541 71.88 -4.31536 -20.9132 -11.2728 71.88 -11.2729 -9.54885 GPRESSAVG: 3606000 14.5369 -5.51982 67.8665 -3.53444 -20.2924 -9.61693 73.3269 -11.1778 -9.338 TIMING: 3606000 CPU: 10795.7, 0.00303993/step Wall: 10795.7, 0.00303993/step, 1.17713 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: 3606000 769.9188 2077.1717 1920.8269 113.1220 -205968.4214 17677.4750 0.0000 0.0000 34158.8112 -149251.0958 298.3174 -183409.9070 -149162.1047 298.8520 -68.1115 -36.6341 558357.6299 -5.0279 -5.0312 PRESSURE: 3606200 10.5347 -51.7601 26.1464 -51.7599 -40.5424 -32.5169 26.1456 -32.5178 -80.9235 GPRESSURE: 3606200 3.48248 -3.65713 40.4813 -60.4454 35.142 -96.7556 -44.9002 -49.8637 -50.6668 PRESSAVG: 3606200 -3.1226 5.96259 86.4574 5.96258 -18.7963 -36.9307 86.4573 -36.9306 4.02375 GPRESSAVG: 3606200 -2.24517 7.10118 89.102 1.95712 -18.9318 -37.3841 84.6321 -36.1257 3.41668 TIMING: 3606200 CPU: 10796.3, 0.0030518/step Wall: 10796.3, 0.0030518/step, 1.18155 hours remaining, 206.917969 MB of memory in use. ENERGY: 3606200 713.5184 2003.3149 1966.5213 117.4215 -206027.7667 17666.6500 0.0000 0.0000 34231.8746 -149328.4660 298.9555 -183560.3406 -149226.5556 298.5741 -36.9770 -4.0141 558357.0911 -5.9651 -5.9201 PRESSURE: 3606400 -343.82 -15.2472 -141.968 -15.2477 -158.483 71.4832 -141.968 71.4829 -21.5194 GPRESSURE: 3606400 -320.636 16.1426 -131.247 -84.9715 -86.5395 76.7899 -76.9041 21.4957 -6.29786 PRESSAVG: 3606400 -1.48396 -34.1579 8.63809 -34.158 27.997 -21.4015 8.63803 -21.4016 -8.7531 GPRESSAVG: 3606400 -1.56245 -35.2563 8.88492 -31.7509 28.1823 -19.6331 9.41939 -23.6438 -8.75511 TIMING: 3606400 CPU: 10796.9, 0.00307993/step Wall: 10796.9, 0.00307993/step, 1.19228 hours remaining, 206.917969 MB of memory in use. ENERGY: 3606400 767.7811 2072.5967 1920.9443 111.8263 -205911.1667 17705.6161 0.0000 0.0000 33946.2146 -149386.1876 296.4607 -183332.4022 -149290.6137 298.8231 -174.6074 -137.8244 558808.7334 5.9200 5.9549 PRESSURE: 3606600 53.9134 66.6581 -59.7149 66.6576 222.784 -95.6833 -59.7142 -95.6832 57.0497 GPRESSURE: 3606600 27.9627 77.6313 -105.41 94.9997 293.575 12.9747 -17.3837 -45.61 111.351 PRESSAVG: 3606600 101.502 23.1804 -75.4858 23.1804 -87.9549 15.9788 -75.4858 15.9789 30.8143 GPRESSAVG: 3606600 101.388 23.263 -74.6209 22.2671 -87.6563 14.7534 -74.8698 17.5994 30.786 TIMING: 3606600 CPU: 10797.5, 0.00304052/step Wall: 10797.5, 0.00304052/step, 1.17685 hours remaining, 206.917969 MB of memory in use. ENERGY: 3606600 779.3381 2165.9163 1913.5576 117.6392 -206648.7905 18074.0030 0.0000 0.0000 34217.8438 -149380.4926 298.8329 -183598.3364 -149283.0645 298.5820 111.2491 144.2963 557705.8365 14.7872 14.8392 PRESSURE: 3606800 -52.814 -19.6859 40.4502 -19.6865 153.527 35.7953 40.4507 35.7957 56.7313 GPRESSURE: 3606800 -73.6662 -26.7309 41.812 26.5862 241.772 21.8878 -22.5751 99.0307 102.038 PRESSAVG: 3606800 -11.6113 4.53092 34.2593 4.531 -12.226 50.5725 34.2593 50.5725 11.9748 GPRESSAVG: 3606800 -11.3467 6.13032 33.1706 3.58436 -12.0436 49.387 34.8428 50.6097 11.6497 TIMING: 3606800 CPU: 10798.1, 0.00304512/step Wall: 10798.1, 0.00304512/step, 1.17846 hours remaining, 206.917969 MB of memory in use. ENERGY: 3606800 762.6394 2038.5867 1957.2798 110.3859 -206378.4665 18113.2546 0.0000 0.0000 34173.3384 -149222.9819 298.4443 -183396.3203 -149129.6158 298.3615 52.4813 90.0479 558958.9477 -3.9541 -3.9135 PRESSURE: 3607000 -22.198 -102.724 -34.0992 -102.723 106 -39.7225 -34.0989 -39.721 -232.215 GPRESSURE: 3607000 34.7653 -98.3919 -40.6734 -23.2163 107.91 -39.2033 93.0414 -29.6339 -199.414 PRESSAVG: 3607000 16.6251 0.606305 -10.6591 0.606242 -18.5283 -3.57301 -10.6591 -3.57302 -13.2865 GPRESSAVG: 3607000 15.3716 -0.229027 -10.7336 1.82645 -18.3855 -2.4429 -11.0993 -3.46868 -12.6205 TIMING: 3607000 CPU: 10798.7, 0.00304629/step Wall: 10798.7, 0.00304629/step, 1.17875 hours remaining, 206.917969 MB of memory in use. ENERGY: 3607000 794.7730 2170.1708 1954.3065 107.7378 -206137.3697 17861.2978 0.0000 0.0000 34343.6198 -148905.4640 299.9314 -183249.0838 -148813.4114 299.2509 -49.4710 -18.9128 557883.9827 -5.0632 -5.2115 PRESSURE: 3607200 92.5573 -75.4071 -49.5454 -75.4068 65.3583 20.1918 -49.5462 20.1923 -65.0126 GPRESSURE: 3607200 170.002 -84.4073 -114.744 -30.6359 60.4638 42.3736 -54.929 -9.06573 -36.4394 PRESSAVG: 3607200 -4.20844 -31.1745 -20.3642 -31.1746 12.6518 0.241519 -20.3641 0.241382 -12.1869 GPRESSAVG: 3607200 -3.42651 -31.8843 -21.0559 -32.7745 11.4984 0.86253 -21.4888 -2.72489 -11.9726 TIMING: 3607200 CPU: 10799.4, 0.00304409/step Wall: 10799.4, 0.00304409/step, 1.17772 hours remaining, 206.917969 MB of memory in use. ENERGY: 3607200 736.9537 2078.7553 1916.4069 99.7473 -205711.3529 17738.1752 0.0000 0.0000 34306.8942 -148834.4203 299.6106 -183141.3145 -148731.6533 300.4563 30.9677 64.6754 558035.4399 -1.2479 -1.3002 PRESSURE: 3607400 -49.454 20.9851 71.3781 20.9849 -132.485 -55.2818 71.3786 -55.2815 -107.643 GPRESSURE: 3607400 -26.8571 -42.4486 110.743 -62.437 -78.0846 -119.5 -41.9965 57.0589 -75.365 PRESSAVG: 3607400 -10.5698 7.47415 54.4587 7.47413 70.0699 -19.8018 54.4587 -19.8017 -53.3015 GPRESSAVG: 3607400 -10.8814 6.32257 55.609 8.46256 71.3817 -20.017 54.808 -18.2138 -54.1453 TIMING: 3607400 CPU: 10800, 0.00305726/step Wall: 10800, 0.00305726/step, 1.18265 hours remaining, 206.917969 MB of memory in use. ENERGY: 3607400 743.8027 2092.4394 1955.2120 117.9996 -205748.6724 17459.5588 0.0000 0.0000 34390.7584 -148988.9015 300.3430 -183379.6599 -148892.2637 299.9996 -96.5271 -60.1022 557820.0770 2.0662 2.1183 PRESSURE: 3607600 -203.864 -81.4771 19.9188 -81.4771 -102.649 85.6081 19.9198 85.6075 -177.487 GPRESSURE: 3607600 -153.581 -58.2307 -32.4904 -103.952 -79.1492 30.2804 39.4029 112.474 -144.343 PRESSAVG: 3607600 33.7792 67.4346 21.7733 67.4345 4.54686 -14.2549 21.7733 -14.2549 -19.1652 GPRESSAVG: 3607600 34.3559 67.4771 23.425 66.4991 4.30872 -13.7788 20.1161 -13.7924 -19.1467 TIMING: 3607600 CPU: 10800.6, 0.0030432/step Wall: 10800.6, 0.0030432/step, 1.17704 hours remaining, 206.917969 MB of memory in use. ENERGY: 3607600 759.9400 2145.9168 1920.3243 106.8090 -205532.4749 17448.5609 0.0000 0.0000 34116.3854 -149034.5385 297.9469 -183150.9238 -148938.5475 299.7250 -161.3333 -125.6912 557650.2109 6.3870 6.5060 PRESSURE: 3607800 130.962 122.977 0.791526 122.977 58.8727 178.752 0.791931 178.752 -49.7469 GPRESSURE: 3607800 154.236 103.643 65.5506 84.3538 86.7452 93.876 -52.1089 190.978 0.0461006 PRESSAVG: 3607800 -14.519 -29.5995 -62.7467 -29.5995 16.9343 21.9748 -62.7467 21.9748 37.3724 GPRESSAVG: 3607800 -15.2551 -29.9377 -63.9226 -28.1052 16.8292 19.5655 -59.8907 23.3703 38.4837 TIMING: 3607800 CPU: 10801.2, 0.00303861/step Wall: 10801.2, 0.00303861/step, 1.1751 hours remaining, 206.917969 MB of memory in use. ENERGY: 3607800 765.3422 2058.3630 1934.2588 119.5325 -206390.5602 17949.2713 0.0000 0.0000 34394.6995 -149169.0928 300.3775 -183563.7923 -149075.6554 299.8069 46.6959 80.3424 556880.7783 13.2626 13.3526 PRESSURE: 3608000 -159.351 -134.995 -73.0141 -134.996 -101.433 46.1695 -73.0144 46.169 -459.851 GPRESSURE: 3608000 -130.615 -118.405 -126.184 -132.309 -81.9092 -9.81066 -16.4859 1.24468 -410.29 PRESSAVG: 3608000 8.65907 16.055 -23.4694 16.055 54.53 40.2908 -23.4694 40.2909 -12.9042 GPRESSAVG: 3608000 9.45172 18.5273 -25.5931 15.9459 54.2513 43.5989 -24.4871 37.7807 -13.0613 TIMING: 3608000 CPU: 10801.8, 0.00306635/step Wall: 10801.8, 0.00306635/step, 1.18566 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: 3608000 748.1069 2156.1196 1929.9113 99.1359 -205849.6859 17430.6327 0.0000 0.0000 34321.2912 -149164.4884 299.7364 -183485.7796 -149065.8855 299.6805 -240.2116 -207.6045 557267.6129 16.7616 16.8806 PRESSURE: 3608200 -31.1352 2.1755 125.361 2.1761 -191.975 148.325 125.362 148.324 111.9 GPRESSURE: 3608200 50.3013 73.7593 56.4357 -38.0115 -148 80.1363 138.379 134.076 87.2266 PRESSAVG: 3608200 67.0634 -39.9851 36.0155 -39.9851 5.0566 -64.7761 36.0156 -64.7761 -50.7756 GPRESSAVG: 3608200 66.3645 -39.6951 37.691 -39.8526 5.86737 -67.4917 35.7575 -62.48 -51.0342 TIMING: 3608200 CPU: 10802.4, 0.00305455/step Wall: 10802.4, 0.00305455/step, 1.18092 hours remaining, 206.917969 MB of memory in use. ENERGY: 3608200 772.5203 2100.2117 1945.8410 113.1454 -206086.7335 17714.8984 0.0000 0.0000 34285.5336 -149154.5832 299.4241 -183440.1168 -149062.1233 299.5842 -37.0699 -3.4908 554741.9480 7.1148 7.0659 LDB: ============= START OF LOAD BALANCING ============== 10805.8 LDB: ============== END OF LOAD BALANCING =============== 10805.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10805.8 LDB: ============= START OF LOAD BALANCING ============== 10806.1 LDB: Largest compute 4820 load 0.024489 is 20.7% of average load 0.118141 LDB: Average compute 0.001731 is 1.5% of average load 0.118141 LDB: TIME 10806.1 LOAD: AVG 0.118141 MAX 0.220727 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.875 MB LDB: TIME 10806.1 LOAD: AVG 0.118141 MAX 0.220727 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.074 MB LDB: TIME 10806.1 LOAD: AVG 0.118141 MAX 0.220727 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10806.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10806.2 PRESSURE: 3608400 77.8247 -138.299 -7.35953 -138.299 -79.3141 35.3179 -7.35997 35.3187 19.8789 GPRESSURE: 3608400 59.4298 -96.4406 -11.2749 -93.4631 2.59196 73.6811 -32.4759 48.3605 58.7779 PRESSAVG: 3608400 21.3531 29.1941 5.67132 29.1942 -15.196 -5.0527 5.67133 -5.05268 16.3824 GPRESSAVG: 3608400 22.2407 27.6777 6.0523 29.6673 -15.6653 -5.52424 5.8735 -4.59947 15.7804 TIMING: 3608400 CPU: 10803, 0.00310289/step Wall: 10803, 0.00310289/step, 1.19944 hours remaining, 206.902344 MB of memory in use. ENERGY: 3608400 762.7676 2116.4872 1933.3015 118.2257 -205962.6297 17740.8610 0.0000 0.0000 34085.0316 -149205.9549 297.6731 -183290.9865 -149103.7802 299.6212 6.1298 40.2665 555566.5444 7.5131 7.4519 PRESSURE: 3608600 154.874 -139.34 -82.932 -139.339 112.89 -20.6079 -82.9319 -20.6073 -143.321 GPRESSURE: 3608600 253.387 -204.517 -128.617 -129.106 75.5627 9.92365 15.1823 -95.2856 -110.38 PRESSAVG: 3608600 81.9224 22.5709 38.2937 22.5708 4.89343 47.1767 38.2936 47.1767 -56.2221 GPRESSAVG: 3608600 81.7608 21.1609 37.2465 24.5697 5.03025 49.5158 37.346 44.6165 -55.806 TIMING: 3608600 CPU: 10803.6, 0.0030625/step Wall: 10803.6, 0.00306251/step, 1.18366 hours remaining, 206.902344 MB of memory in use. ENERGY: 3608600 791.5875 2081.2757 1925.0629 105.8226 -206495.1045 18057.7103 0.0000 0.0000 34389.7852 -149143.8603 300.3345 -183533.6454 -149052.9670 299.3059 41.4809 72.8567 557318.6386 10.1979 10.3283 PRESSURE: 3608800 -161.329 32.4643 -83.3879 32.4646 -217.966 -16.9334 -83.3898 -16.9336 -50.3591 GPRESSURE: 3608800 -91.4194 94.413 0.517481 -6.88235 -184.286 -1.29898 -103.75 -3.61954 -62.8095 PRESSAVG: 3608800 29.7357 -36.2384 -39.1454 -36.2385 15.067 50.6899 -39.1453 50.6899 -26.6689 GPRESSAVG: 3608800 29.3885 -36.7261 -38.3896 -36.0343 15.2227 49.6898 -38.8165 50.4396 -27.1385 TIMING: 3608800 CPU: 10804.2, 0.00306562/step Wall: 10804.2, 0.00306562/step, 1.18469 hours remaining, 206.902344 MB of memory in use. ENERGY: 3608800 768.8883 2146.7122 1940.3311 112.2858 -205851.2138 17699.2382 0.0000 0.0000 34255.5255 -148928.2327 299.1620 -183183.7582 -148834.7298 299.6361 -143.2179 -112.8383 557947.9098 6.0446 5.8242 PRESSURE: 3609000 -269.934 1.71742 -134.71 1.71767 -140.307 70.5449 -134.71 70.5466 104.759 GPRESSURE: 3609000 -257.958 19.2459 -117.515 2.91267 -116.997 23.5134 -141.518 -15.1031 154.049 PRESSAVG: 3609000 -90.6617 -32.2899 -7.76855 -32.2899 -3.29438 -6.87917 -7.7686 -6.8792 93.9649 GPRESSAVG: 3609000 -91.4545 -29.4612 -8.75364 -33.5021 -2.53322 -8.03813 -7.6835 -5.5015 94.4161 TIMING: 3609000 CPU: 10804.9, 0.00306707/step Wall: 10804.9, 0.00306707/step, 1.18508 hours remaining, 206.902344 MB of memory in use. ENERGY: 3609000 762.6655 2124.1389 1968.7284 114.9547 -205903.2719 17583.0779 0.0000 0.0000 34470.5600 -148879.1465 301.0400 -183349.7065 -148777.0000 300.4504 -101.8270 -73.6352 558259.8149 0.0029 0.1428 PRESSURE: 3609200 53.3244 -87.5236 140.206 -87.5227 17.0183 27.4101 140.207 27.4099 -31.5092 GPRESSURE: 3609200 100.026 -138.583 71.4706 -64.6866 75.3128 19.9871 107.699 106.242 -34.5931 PRESSAVG: 3609200 -4.7302 -21.4665 -53.0987 -21.4666 12.6699 9.55608 -53.0987 9.55603 -37.2073 GPRESSAVG: 3609200 -4.3355 -22.9567 -51.4164 -23.0441 12.0106 9.45102 -54.0456 11.6143 -37.1849 TIMING: 3609200 CPU: 10805.5, 0.00305257/step Wall: 10805.5, 0.00305257/step, 1.17931 hours remaining, 206.902344 MB of memory in use. ENERGY: 3609200 777.0086 2161.1716 1933.4366 99.1820 -206299.4519 17968.9865 0.0000 0.0000 34342.9030 -149016.7635 299.9251 -183359.6665 -148919.3883 300.5635 12.9445 46.9153 558336.7233 -9.7559 -9.8366 PRESSURE: 3609400 -51.5381 -98.7036 5.61012 -98.7045 -26.4694 -58.7028 5.60913 -58.7027 72.5629 GPRESSURE: 3609400 -7.53456 6.58889 -27.0651 -165.097 15.0995 -36.3893 60.1721 -91.5133 86.6105 PRESSAVG: 3609400 25.3549 -35.6966 24.328 -35.6966 -62.0195 -9.21687 24.3281 -9.2168 8.45492 GPRESSAVG: 3609400 25.5943 -34.4367 23.6395 -35.0025 -61.4363 -9.38714 25.9397 -10.3788 8.30848 TIMING: 3609400 CPU: 10806.1, 0.00306139/step Wall: 10806.1, 0.00306139/step, 1.18255 hours remaining, 206.902344 MB of memory in use. ENERGY: 3609400 753.6549 2084.2752 1944.2795 111.7372 -206192.4236 17934.4614 0.0000 0.0000 34425.6831 -148938.3323 300.6481 -183364.0154 -148844.1547 300.2328 -1.8149 31.3918 557349.2495 -9.4032 -9.1778 PRESSURE: 3609600 226.411 56.1914 -69.0375 56.1912 336 -159.498 -69.0374 -159.497 -239.925 GPRESSURE: 3609600 210.717 65.1965 -78.382 175.023 351.134 -179.431 -58.9412 -182.362 -153.173 PRESSAVG: 3609600 -40.0373 -33.2281 27.7338 -33.2281 26.7289 14.4802 27.7339 14.4802 14.9768 GPRESSAVG: 3609600 -39.1671 -34.1964 26.5233 -34.4807 26.8338 14.5018 27.4075 16.3299 13.8328 TIMING: 3609600 CPU: 10806.7, 0.00307138/step Wall: 10806.7, 0.00307138/step, 1.18624 hours remaining, 206.902344 MB of memory in use. ENERGY: 3609600 780.7725 2109.5545 1951.1785 111.0345 -206301.2064 17988.1518 0.0000 0.0000 34275.2410 -149085.2735 299.3342 -183360.5145 -148986.2333 299.4370 107.4954 136.2261 558448.3954 0.5561 0.4998 PRESSURE: 3609800 -47.5259 107.146 -69.4299 107.145 250.337 37.5016 -69.4294 37.5019 52.8031 GPRESSURE: 3609800 17.6228 98.0207 -81.653 75.7687 311.006 -68.2882 -54.6934 76.7547 25.7592 PRESSAVG: 3609800 14.3991 69.7518 -7.08195 69.7518 13.7788 -16.2245 -7.08195 -16.2245 -49.563 GPRESSAVG: 3609800 13.6438 69.4128 -6.10947 70.3269 13.8563 -16.152 -8.19253 -18.2137 -48.6374 TIMING: 3609800 CPU: 10807.3, 0.00302258/step Wall: 10807.3, 0.00302258/step, 1.16722 hours remaining, 206.902344 MB of memory in use. ENERGY: 3609800 750.9466 2199.8612 1962.6099 109.5628 -206316.9865 17949.6694 0.0000 0.0000 34371.6364 -148972.7003 300.1760 -183344.3367 -148874.0743 299.5855 85.2048 118.1292 556768.5262 -7.1284 -7.0458 PRESSURE: 3610000 -85.7674 72.2693 118.684 72.2694 -237 -36.6241 118.684 -36.6231 -162.067 GPRESSURE: 3610000 -83.926 61.4766 121.448 118.794 -173.276 20.8805 69.0921 -64.938 -124.33 PRESSAVG: 3610000 56.8667 53.3687 -45.4146 53.3688 -34.64 -46.2351 -45.4146 -46.2352 -13.7568 GPRESSAVG: 3610000 56.1181 55.3681 -47.1096 52.5546 -35.1302 -44.4045 -46.0983 -47.178 -12.445 TIMING: 3610000 CPU: 10807.9, 0.0030107/step Wall: 10807.9, 0.0030107/step, 1.16247 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: 3610000 768.8961 2137.7488 1974.8268 123.5150 -205968.7730 17700.9712 0.0000 0.0000 34340.2603 -148922.5549 299.9020 -183262.8152 -148812.2351 300.1674 -161.6112 -127.1774 556942.1657 2.8233 2.8476 PRESSURE: 3610200 -31.9921 -4.44793 -189.189 -4.4474 -291.565 2.34071 -189.187 2.34103 -268.4 GPRESSURE: 3610200 34.0401 33.66 -170.303 -47.5929 -260.567 45.1684 -119.501 -75.0996 -261.644 PRESSAVG: 3610200 -5.62977 28.6934 22.1986 28.6934 -28.9732 -1.11931 22.1987 -1.11929 46.9995 GPRESSAVG: 3610200 -4.63185 26.3823 26.1193 29.5204 -29.5876 -3.24376 22.356 0.641765 46.7521 TIMING: 3610200 CPU: 10808.5, 0.00304772/step Wall: 10808.5, 0.00304772/step, 1.17659 hours remaining, 206.902344 MB of memory in use. ENERGY: 3610200 742.9950 2121.6293 1982.2917 117.8984 -206016.3191 17518.7337 0.0000 0.0000 34492.1130 -149040.6580 301.2282 -183532.7709 -148939.9033 299.7012 -197.3191 -162.7238 558039.8032 4.1322 4.1775 PRESSURE: 3610400 104.862 -85.7425 33.0625 -85.7426 -306.434 42.2038 33.064 42.204 -210.824 GPRESSURE: 3610400 72.9067 -102.285 -9.03425 -112.286 -226.664 87.4632 89.1694 -22.2618 -163.394 PRESSAVG: 3610400 24.549 -16.5828 8.83779 -16.5827 24.4075 -47.3074 8.83779 -47.3074 -25.9163 GPRESSAVG: 3610400 23.4393 -15.831 7.60356 -16.1832 25.4345 -45.9839 10.333 -47.7581 -26.2433 TIMING: 3610400 CPU: 10809.1, 0.00306681/step Wall: 10809.1, 0.00306681/step, 1.18379 hours remaining, 206.902344 MB of memory in use. ENERGY: 3610400 755.9315 2117.6660 1969.9879 108.1065 -206111.2439 17589.1755 0.0000 0.0000 34425.1242 -149145.2523 300.6432 -183570.3765 -149037.2832 299.6586 -137.4652 -105.7171 557200.0319 7.6801 7.5435 PRESSURE: 3610600 -248.713 -70.0446 -59.1854 -70.0448 64.1641 -157.021 -59.1847 -157.02 224.139 GPRESSURE: 3610600 -217.977 -38.0789 -42.8179 -90.2624 81.8157 -160.7 -98.4319 -149.192 264.164 PRESSAVG: 3610600 -33.3772 38.6148 -76.136 38.6147 76.4646 12.4697 -76.136 12.4695 -53.6942 GPRESSAVG: 3610600 -30.4472 39.2887 -77.7763 38.2514 74.5299 11.4452 -76.3057 11.5888 -54.2436 TIMING: 3610600 CPU: 10809.7, 0.00306395/step Wall: 10809.7, 0.00306395/step, 1.18251 hours remaining, 206.902344 MB of memory in use. ENERGY: 3610600 788.7413 2083.0294 1950.6855 115.1247 -206182.9355 17887.2588 0.0000 0.0000 34209.4440 -149148.6519 298.7596 -183358.0959 -149050.1378 299.6268 13.1966 42.6674 557238.5373 -3.5356 -3.3870 PRESSURE: 3610800 -2.5779 -80.5357 53.8794 -80.5347 -12.6252 -77.3301 53.8788 -77.3294 -1.14005 GPRESSURE: 3610800 63.7981 -96.5219 93.929 -14.4402 19.2802 -23.9418 17.5076 -55.5864 -9.10701 PRESSAVG: 3610800 44.0885 -1.88794 -4.64643 -1.88795 2.60176 25.4741 -4.64639 25.4742 -6.18544 GPRESSAVG: 3610800 42.7447 -2.54979 -4.28368 -2.07566 3.93353 26.6707 -4.84085 24.2228 -5.97326 TIMING: 3610800 CPU: 10810.4, 0.00306993/step Wall: 10810.4, 0.00306993/step, 1.18465 hours remaining, 206.902344 MB of memory in use. ENERGY: 3610800 757.3310 2093.0242 1945.0797 110.6256 -206318.3194 17826.1155 0.0000 0.0000 34301.3045 -149284.8390 299.5618 -183586.1434 -149178.3114 299.9640 -5.4477 24.6571 556895.1095 13.5016 13.5683 PRESSURE: 3611000 44.0076 -84.6151 0.143167 -84.6144 -156.694 -24.2153 0.142958 -24.2161 -276.496 GPRESSURE: 3611000 90.0518 -157.055 24.6711 31.5869 -144.758 55.1875 -40.4201 -2.07567 -237.549 PRESSAVG: 3611000 -3.22065 -45.4822 62.6593 -45.4822 30.9674 11.1696 62.6593 11.1696 3.74389 GPRESSAVG: 3611000 -4.66569 -45.2901 63.0213 -45.8554 31.8963 9.90823 62.0839 13.9079 4.20962 TIMING: 3611000 CPU: 10811, 0.00305869/step Wall: 10811, 0.00305869/step, 1.18014 hours remaining, 206.902344 MB of memory in use. ENERGY: 3611000 741.1083 2087.3525 1929.1302 111.5313 -206003.9547 17595.3839 0.0000 0.0000 34341.4304 -149198.0182 299.9123 -183539.4486 -149098.2095 300.0215 -129.7275 -97.4184 557110.1686 10.4969 10.4801 PRESSURE: 3611200 -91.1941 -26.5025 -79.2551 -26.5028 81.0463 -81.5967 -79.2554 -81.5979 75.7757 GPRESSURE: 3611200 10.1607 -91.7467 -133.35 4.30331 70.0116 -22.4101 -12.0147 -78.5323 94.7756 PRESSAVG: 3611200 -31.9655 -21.3497 -28.1708 -21.3498 -45.9342 36.6715 -28.1708 36.6715 39.2435 GPRESSAVG: 3611200 -30.8862 -19.4365 -27.1829 -20.115 -45.4328 37.2418 -27.9857 33.7305 38.138 TIMING: 3611200 CPU: 10811.6, 0.00311145/step Wall: 10811.6, 0.00311145/step, 1.20033 hours remaining, 206.902344 MB of memory in use. ENERGY: 3611200 759.0146 2177.4637 1960.2254 113.7701 -206654.0127 17973.9407 0.0000 0.0000 34480.2519 -149189.3464 301.1246 -183669.5983 -149083.0296 299.7000 21.8760 58.3159 556948.9707 -12.8854 -12.7270 PRESSURE: 3611400 -235.81 -40.7018 -164.188 -40.7017 138.677 -222.298 -164.189 -222.298 -100.689 GPRESSURE: 3611400 -182.407 -23.7104 -214.832 63.9538 127.401 -117.413 -124.165 -204.89 -59.9968 PRESSAVG: 3611400 83.3698 -15.0487 -31.7658 -15.0487 -42.9387 24.0922 -31.7658 24.092 -37.4149 GPRESSAVG: 3611400 83.2714 -17.5099 -34.079 -13.6998 -43.6558 23.4167 -29.3457 24.3981 -36.5007 TIMING: 3611400 CPU: 10812.2, 0.00308716/step Wall: 10812.2, 0.00308716/step, 1.19079 hours remaining, 206.902344 MB of memory in use. ENERGY: 3611400 717.9602 2150.9298 1968.4549 114.7471 -205877.0121 17507.9231 0.0000 0.0000 34264.8366 -149152.1604 299.2433 -183416.9970 -149054.5839 299.6114 -65.9406 -38.3344 556695.1596 1.0054 1.0383 PRESSURE: 3611600 -124.179 -57.0314 111.12 -57.0317 -17.3951 -40.8535 111.118 -40.8537 28.5407 GPRESSURE: 3611600 -50.0076 -80.1776 120.86 -38.936 35.2498 16.3869 132.745 -89.5907 -3.76072 PRESSAVG: 3611600 -23.4599 -18.6367 -3.85503 -18.6367 -16.8829 12.2412 -3.85507 12.2412 41.6509 GPRESSAVG: 3611600 -23.3835 -19.0055 -3.10386 -18.4213 -16.228 14.4644 -4.30496 13.5789 41.2821 TIMING: 3611600 CPU: 10812.8, 0.00308668/step Wall: 10812.8, 0.00308668/step, 1.19043 hours remaining, 206.902344 MB of memory in use. ENERGY: 3611600 728.5275 2138.9906 1946.7300 118.4726 -206404.3711 17768.4122 0.0000 0.0000 34458.4755 -149244.7628 300.9344 -183703.2382 -149138.4235 299.3874 -37.6779 -6.1728 557345.8218 0.4360 0.5569 PRESSURE: 3611800 48.6494 -57.7915 -173.478 -57.7918 -107.768 165.305 -173.478 165.303 -94.8366 GPRESSURE: 3611800 80.8533 46.279 -172.38 -148.949 -61.5757 110.691 -131.905 239.409 -71.8413 PRESSAVG: 3611800 -24.2758 -29.5064 -30.0472 -29.5064 -1.80194 28.3243 -30.0472 28.3242 -11.7292 GPRESSAVG: 3611800 -24.6027 -27.9995 -30.3381 -31.2013 -1.47501 26.6196 -30.0827 29.5555 -11.5877 TIMING: 3611800 CPU: 10813.4, 0.00308035/step Wall: 10813.4, 0.00308035/step, 1.18782 hours remaining, 206.902344 MB of memory in use. ENERGY: 3611800 728.6309 2125.3509 1960.9325 114.2222 -206470.2155 17796.6165 0.0000 0.0000 34448.6253 -149295.8373 300.8484 -183744.4626 -149201.8993 299.7957 -51.3184 -17.5212 558030.8503 -12.6023 -12.5551 PRESSURE: 3612000 -9.54815 169.717 133.495 169.717 -135.666 217.087 133.496 217.087 23.986 GPRESSURE: 3612000 27.2443 299.335 103.674 160.443 -103.314 85.402 126.926 159.206 61.0928 PRESSAVG: 3612000 2.75805 25.2172 37.3455 25.2171 -37.0913 24.625 37.3456 24.6249 42.3314 GPRESSAVG: 3612000 3.5446 25.7071 39.6177 27.9461 -37.8984 25.7696 35.7731 21.7635 41.7976 TIMING: 3612000 CPU: 10814.1, 0.00306941/step Wall: 10814.1, 0.00306941/step, 1.18343 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: 3612000 725.6198 2044.5419 1980.4805 105.1490 -206339.9772 17807.3823 0.0000 0.0000 34412.1013 -149264.7024 300.5294 -183676.8037 -149164.7614 299.4305 -40.4094 -4.9923 557011.2446 2.6661 2.4813 PRESSURE: 3612200 -62.1293 -108.116 81.3472 -108.116 -57.832 42.9896 81.3474 42.9895 -73.9067 GPRESSURE: 3612200 -32.8431 -170.921 97.738 -66.9718 -39.9788 -26.7164 49.3817 -20.3579 -19.6134 PRESSAVG: 3612200 -16.6025 0.845983 59.2934 0.845953 20.418 18.1059 59.2933 18.1059 -50.4458 GPRESSAVG: 3612200 -17.6863 0.702625 58.8352 -1.89277 20.2428 16.3223 58.6562 20.0564 -49.4913 TIMING: 3612200 CPU: 10814.7, 0.00304924/step Wall: 10814.7, 0.00304924/step, 1.17548 hours remaining, 206.902344 MB of memory in use. ENERGY: 3612200 723.2123 2098.7066 1924.3429 116.9381 -206155.5207 17685.4580 0.0000 0.0000 34333.5655 -149273.2973 299.8436 -183606.8628 -149176.9138 299.0070 -64.6227 -30.8118 557467.2759 -15.5435 -15.6449 LDB: ============= START OF LOAD BALANCING ============== 10818.1 LDB: ============== END OF LOAD BALANCING =============== 10818.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10818.1 LDB: ============= START OF LOAD BALANCING ============== 10818.4 LDB: Largest compute 4820 load 0.025687 is 21.7% of average load 0.118122 LDB: Average compute 0.001729 is 1.5% of average load 0.118122 LDB: TIME 10818.4 LOAD: AVG 0.118122 MAX 0.219191 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.492 MB LDB: TIME 10818.4 LOAD: AVG 0.118122 MAX 0.219191 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.496 MB LDB: TIME 10818.4 LOAD: AVG 0.118122 MAX 0.219191 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.496 MB LDB: ============== END OF LOAD BALANCING =============== 10818.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10818.4 PRESSURE: 3612400 38.1693 -44.6989 24.4937 -44.6988 -162.729 -47.9242 24.495 -47.9235 36.6379 GPRESSURE: 3612400 73.9783 -17.8286 12.9094 -38.9887 -141.004 -31.1306 -53.8916 17.0374 72.6953 PRESSAVG: 3612400 -9.95677 -15.4577 8.05135 -15.4577 29.6077 46.0083 8.05134 46.0083 -11.7374 GPRESSAVG: 3612400 -10.0973 -15.5437 7.22022 -14.9276 31.1755 45.9086 9.45705 46.6796 -13.0284 TIMING: 3612400 CPU: 10815.3, 0.00312666/step Wall: 10815.3, 0.00312666/step, 1.20516 hours remaining, 207.996094 MB of memory in use. ENERGY: 3612400 743.9015 2089.8086 1944.5080 109.7821 -206330.5947 17842.5267 0.0000 0.0000 34192.6808 -149407.3869 298.6132 -183600.0677 -149303.1905 298.8933 -29.3071 1.8899 558094.1478 2.6379 2.6833 PRESSURE: 3612600 -25.4821 22.7276 -25.6414 22.7264 315.633 -104.218 -25.6411 -104.217 -235.395 GPRESSURE: 3612600 -4.91461 50.121 73.4323 63.295 285.108 -136.886 -38.3166 -177.827 -126.87 PRESSAVG: 3612600 4.29006 -33.5971 19.1762 -33.5971 29.7062 -53.5043 19.1761 -53.5042 8.79006 GPRESSAVG: 3612600 4.81174 -34.1316 17.9104 -33.5252 28.8805 -53.3646 21.3946 -54.7492 9.28062 TIMING: 3612600 CPU: 10815.9, 0.00306725/step Wall: 10815.9, 0.00306725/step, 1.18209 hours remaining, 208.453125 MB of memory in use. ENERGY: 3612600 746.2677 2091.9263 1952.0172 110.3874 -206376.4351 17944.2891 0.0000 0.0000 34259.1707 -149272.3767 299.1939 -183531.5474 -149177.7379 298.3902 18.2520 51.1080 558089.3846 14.2621 14.3243 PRESSURE: 3612800 234.384 63.7049 116.526 63.7039 33.3411 -55.645 116.526 -55.6473 0.520058 GPRESSURE: 3612800 267.094 92.6413 130.398 -23.1646 36.2764 37.632 124.269 -122.8 60.5471 PRESSAVG: 3612800 -25.2755 24.8145 35.3738 24.8145 76.6332 -0.201026 35.3739 -0.201029 -50.7483 GPRESSAVG: 3612800 -25.8673 23.4357 37.746 26.0842 76.4453 -1.33507 32.0128 2.36538 -50.6395 TIMING: 3612800 CPU: 10816.5, 0.00305017/step Wall: 10816.5, 0.00305017/step, 1.17533 hours remaining, 208.453125 MB of memory in use. ENERGY: 3612800 750.1678 2108.1796 1945.0221 110.1696 -206594.8207 18037.2000 0.0000 0.0000 34367.7195 -149276.3620 300.1418 -183644.0815 -149182.4784 298.8524 89.4152 121.3058 558473.3106 0.2031 -0.0205 PRESSURE: 3613000 142.566 -161.189 27.1422 -161.189 63.1432 61.0738 27.142 61.0757 186.93 GPRESSURE: 3613000 201.592 -222.993 -20.0468 -199.49 64.5989 71.8409 76.1862 -8.36361 235.95 PRESSAVG: 3613000 -44.1488 -1.27937 9.79842 -1.2794 -13.4623 12.2256 9.79843 12.2256 27.4983 GPRESSAVG: 3613000 -42.9016 -2.34137 9.18322 -0.573904 -13.4187 14.7217 11.8084 10.3132 26.6307 TIMING: 3613000 CPU: 10817.1, 0.00306848/step Wall: 10817.1, 0.00306848/step, 1.18222 hours remaining, 208.453125 MB of memory in use. ENERGY: 3613000 739.2521 2040.7641 1906.0776 114.9454 -206346.4322 17979.5994 0.0000 0.0000 34309.3858 -149256.4079 299.6324 -183565.7936 -149157.8919 298.5120 130.8798 167.3802 557224.4901 -10.0376 -9.8965 PRESSURE: 3613200 68.3445 -63.5287 10.4619 -63.5285 -8.85333 99.0325 10.4607 99.0312 206.975 GPRESSURE: 3613200 96.888 -28.4845 24.139 -20.6893 1.57409 158.382 55.585 191.219 273.339 PRESSAVG: 3613200 -20.1519 -25.2628 3.4951 -25.2628 17.5052 53.7214 3.495 53.7214 45.5991 GPRESSAVG: 3613200 -19.9825 -22.8967 2.19061 -26.8933 16.6707 53.9673 3.40636 54.6792 46.5888 TIMING: 3613200 CPU: 10817.7, 0.00304173/step Wall: 10817.7, 0.00304173/step, 1.17174 hours remaining, 208.453125 MB of memory in use. ENERGY: 3613200 730.9074 2093.3820 1920.8420 99.2529 -206393.7895 17949.7222 0.0000 0.0000 34277.7968 -149321.8861 299.3565 -183599.6830 -149225.6342 298.6595 88.8219 123.9338 557664.8284 14.3175 14.4257 PRESSURE: 3613400 14.2204 -2.72822 122.736 -2.72861 230.335 130.093 122.736 130.093 49.3451 GPRESSURE: 3613400 -5.29304 24.2253 6.72977 8.6228 284.213 -8.43752 293.94 177.955 106.421 PRESSAVG: 3613400 -37.213 14.6324 -45.5522 14.6324 -23.3332 39.6804 -45.5523 39.6805 65.0939 GPRESSAVG: 3613400 -37.2226 14.2709 -44.5277 13.819 -22.1793 39.7169 -44.7026 39.6165 64.2543 TIMING: 3613400 CPU: 10818.3, 0.00305622/step Wall: 10818.3, 0.00305621/step, 1.17715 hours remaining, 208.453125 MB of memory in use. ENERGY: 3613400 722.8466 2076.4625 1939.8910 122.3329 -206426.5628 17995.7531 0.0000 0.0000 34423.0899 -149146.1867 300.6254 -183569.2766 -149058.4014 299.2455 97.9669 128.4469 556541.3136 1.5159 1.6175 PRESSURE: 3613600 35.9489 -72.8691 -204.198 -72.8684 -217.883 -77.4093 -204.198 -77.4098 -166.64 GPRESSURE: 3613600 68.1807 -80.4045 -153.713 -74.3189 -132.027 -102.436 -148.731 -112.604 -198.276 PRESSAVG: 3613600 48.8649 9.48763 -18.2923 9.48757 -17.3243 -4.12943 -18.2924 -4.12925 -8.33724 GPRESSAVG: 3613600 47.2664 8.25679 -18.3519 12.0245 -16.5551 -4.22882 -19.6792 -5.04654 -7.40484 TIMING: 3613600 CPU: 10819, 0.00307145/step Wall: 10819, 0.00307145/step, 1.18285 hours remaining, 208.453125 MB of memory in use. ENERGY: 3613600 746.0186 2107.3266 1957.5699 110.4815 -205989.7638 17624.7854 0.0000 0.0000 34033.9027 -149409.6791 297.2265 -183443.5818 -149308.8551 298.9469 -116.1914 -87.3742 558048.0828 7.7345 7.7688 PRESSURE: 3613800 221.384 -72.5431 0.474523 -72.5423 131.669 54.1966 0.474159 54.1956 71.5326 GPRESSURE: 3613800 296.243 -51.144 22.2185 -72.9419 154.103 61.0295 -2.71739 47.339 82.4909 PRESSAVG: 3613800 -19.3044 -12.113 -17.3236 -12.113 62.98 19.2815 -17.3235 19.2815 -43.4564 GPRESSAVG: 3613800 -18.5101 -11.9711 -17.7082 -13.5769 63.238 19.0928 -15.2255 19.6224 -43.919 TIMING: 3613800 CPU: 10819.6, 0.00304621/step Wall: 10819.6, 0.00304621/step, 1.17296 hours remaining, 208.453125 MB of memory in use. ENERGY: 3613800 722.5298 2117.9296 1910.7352 115.2810 -206357.7668 18164.7261 0.0000 0.0000 33993.2787 -149333.2865 296.8718 -183326.5652 -149239.8817 298.0227 141.5285 177.6123 558745.5521 0.0731 0.2696 PRESSURE: 3614000 -345.051 -119.648 -65.8842 -119.648 -161.587 20.9142 -65.8829 20.9128 157.455 GPRESSURE: 3614000 -332.107 -146.205 -63.3325 -117.273 -123.306 -18.903 -124.091 -32.1839 220.143 PRESSAVG: 3614000 -11.38 -72.0059 5.5801 -72.0058 -34.0835 13.4041 5.58005 13.4042 18.0907 GPRESSAVG: 3614000 -10.1528 -73.1448 5.66246 -69.6577 -35.615 12.1908 5.80922 14.7531 18.4155 TIMING: 3614000 CPU: 10820.2, 0.00307601/step Wall: 10820.2, 0.00307601/step, 1.18426 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: 3614000 720.9195 2158.5322 1952.9354 105.4652 -206066.5641 17696.8153 0.0000 0.0000 34056.5252 -149375.3713 297.4241 -183431.8965 -149285.2133 298.2459 -116.3943 -78.4235 558778.9057 -9.1243 -9.1174 PRESSURE: 3614200 -173.334 8.99142 75.1735 8.99122 -41.1834 71.237 75.174 71.2365 -259.425 GPRESSURE: 3614200 -108.874 31.4781 48.8955 19.0172 -54.5968 39.4444 91.137 14.2304 -209.732 PRESSAVG: 3614200 -41.1536 -4.90923 -34.2801 -4.90926 19.9925 11.2028 -34.2802 11.2029 -30.9586 GPRESSAVG: 3614200 -42.1113 -3.48329 -33.3667 -5.76677 20.4424 11.5981 -35.5653 10.862 -30.702 TIMING: 3614200 CPU: 10820.8, 0.00305203/step Wall: 10820.8, 0.00305203/step, 1.17486 hours remaining, 208.453125 MB of memory in use. ENERGY: 3614200 761.7375 2103.1453 1944.2902 110.8559 -206067.8634 17702.0811 0.0000 0.0000 34147.3540 -149298.3994 298.2173 -183445.7534 -149198.9595 297.9714 -157.9807 -124.4009 558789.9880 -17.3732 -17.4570 PRESSURE: 3614400 -103.377 -61.3093 -181.118 -61.3093 -167.236 -130.674 -181.117 -130.672 -203.085 GPRESSURE: 3614400 12.1223 -6.79652 -148.314 -84.1899 -156.252 -62.2123 -155.401 -72.9805 -231.285 PRESSAVG: 3614400 33.3659 18.7074 2.41666 18.7074 -4.83573 -29.9983 2.41679 -29.9983 -18.5229 GPRESSAVG: 3614400 34.5146 19.9055 2.84926 17.6875 -4.86368 -30.4646 1.84522 -27.7459 -19.8276 TIMING: 3614400 CPU: 10821.4, 0.003053/step Wall: 10821.4, 0.003053/step, 1.17507 hours remaining, 208.453125 MB of memory in use. ENERGY: 3614400 777.7525 2135.6252 1951.2131 104.4936 -206114.3254 17636.6804 0.0000 0.0000 34270.0182 -149238.5424 299.2886 -183508.5606 -149137.5378 298.3608 -157.8992 -125.1381 558180.2893 3.3357 3.2744 PRESSURE: 3614600 -111.707 59.5198 -28.2594 59.5197 176.58 -73.4797 -28.2582 -73.4796 -12.9174 GPRESSURE: 3614600 -47.5183 17.5648 -37.1211 144.962 195.77 -130.521 -80.6832 -31.2626 12.2026 PRESSAVG: 3614600 35.3703 5.73735 11.8854 5.73729 3.84165 -3.94794 11.8855 -3.94794 -90.0828 GPRESSAVG: 3614600 35.4219 5.66141 10.3682 7.04871 2.00361 -2.92327 14.3343 -5.74335 -87.8614 TIMING: 3614600 CPU: 10822, 0.00306971/step Wall: 10822, 0.00306971/step, 1.18133 hours remaining, 208.507812 MB of memory in use. ENERGY: 3614600 765.0154 2104.9715 1974.0167 107.8842 -206262.5796 17887.2193 0.0000 0.0000 34397.8617 -149025.6107 300.4051 -183423.4724 -148928.5416 299.4426 17.3185 53.4849 557664.7415 -16.9569 -16.8120 PRESSURE: 3614800 -106.345 -19.9529 130.877 -19.9527 -28.1754 -39.6042 130.877 -39.6043 -82.4755 GPRESSURE: 3614800 -67.0029 -56.2661 115.475 4.87781 27.1896 -30.4987 49.7851 -77.1993 -70.6883 PRESSAVG: 3614800 -50.4965 -4.02476 20.2475 -4.02471 11.9845 17.1317 20.2474 17.1317 40.9003 GPRESSAVG: 3614800 -50.8515 -4.446 19.9848 -4.83273 13.2247 16.0592 19.3398 16.0414 40.6247 TIMING: 3614800 CPU: 10822.6, 0.00306362/step Wall: 10822.6, 0.00306362/step, 1.17881 hours remaining, 208.507812 MB of memory in use. ENERGY: 3614800 757.6308 2153.4638 1958.8664 123.5858 -206389.3389 17859.6625 0.0000 0.0000 34411.4196 -149124.7100 300.5235 -183536.1296 -149024.8665 300.6666 -72.3320 -36.8339 557513.6608 0.7961 0.9993 PRESSURE: 3615000 -225.268 69.6201 -25.6126 69.6201 -215.108 -115.109 -25.6124 -115.108 -160.835 GPRESSURE: 3615000 -119.551 108.497 -94.3686 -4.91581 -206.832 -209.876 -54.898 -59.6849 -189.073 PRESSAVG: 3615000 8.20296 31.9921 10.1826 31.992 3.47886 -43.5819 10.1825 -43.5821 -11.3057 GPRESSAVG: 3615000 9.39039 31.477 11.3484 31.7131 3.16728 -41.0743 8.53288 -43.7608 -12.1439 TIMING: 3615000 CPU: 10823.2, 0.0030616/step Wall: 10823.2, 0.0030616/step, 1.17787 hours remaining, 208.507812 MB of memory in use. ENERGY: 3615000 775.3897 2131.4459 1935.5562 109.5017 -205959.5257 17673.3231 0.0000 0.0000 34210.1691 -149124.1400 298.7659 -183334.3091 -149028.7101 299.5210 -200.4038 -171.8184 559534.0275 0.1254 0.1379 PRESSURE: 3615200 -68.9338 33.4597 -37.4423 33.4602 100.422 -112.535 -37.4425 -112.535 -3.82323 GPRESSURE: 3615200 -29.0551 9.79125 -54.6871 52.486 148.291 -101.853 -7.43765 -10.8514 2.69249 PRESSAVG: 3615200 -53.5264 -34.2562 -1.14658 -34.2562 17.9194 -5.97647 -1.14656 -5.97629 20.864 GPRESSAVG: 3615200 -54.0598 -34.6053 0.155669 -36.9199 18.8044 -9.33363 -0.983367 -3.9308 20.6718 TIMING: 3615200 CPU: 10823.9, 0.00305173/step Wall: 10823.9, 0.00305173/step, 1.1739 hours remaining, 208.507812 MB of memory in use. ENERGY: 3615200 718.2336 2147.0754 1922.2383 107.1281 -206187.0607 17920.0094 0.0000 0.0000 34166.0152 -149206.3606 298.3803 -183372.3759 -149111.3108 299.3644 9.2216 40.6429 559177.3746 -4.9143 -4.8612 PRESSURE: 3615400 25.8767 -28.3777 95.7989 -28.378 -206.016 116.487 95.8002 116.487 -123.772 GPRESSURE: 3615400 28.0592 -45.0625 171.481 -70.744 -183.134 99.9111 114.811 115.026 -54.9358 PRESSAVG: 3615400 26.1738 24.6623 16.4 24.6622 -7.8524 18.134 16.4 18.1341 -34.4289 GPRESSAVG: 3615400 25.6269 25.0294 15.4358 27.0888 -7.73979 21.0028 15.7475 17.0628 -34.0211 TIMING: 3615400 CPU: 10824.5, 0.00304902/step Wall: 10824.5, 0.00304902/step, 1.17269 hours remaining, 208.507812 MB of memory in use. ENERGY: 3615400 741.8079 2145.2738 1955.6003 107.5965 -205987.9317 17650.9881 0.0000 0.0000 34179.9861 -149206.6791 298.5023 -183386.6652 -149110.4086 299.8369 -101.3037 -70.0035 559441.7349 -5.3692 -5.3780 PRESSURE: 3615600 317.821 58.2625 -149.917 58.263 -55.3799 41.2783 -149.916 41.2774 51.55 GPRESSURE: 3615600 353.23 197.532 -207.057 76.993 -36.8171 43.967 -156.542 -4.76867 89.5231 PRESSAVG: 3615600 32.4558 40.0502 43.483 40.0502 -3.48949 6.95433 43.483 6.9543 -21.7287 GPRESSAVG: 3615600 32.5073 39.526 41.4439 39.2596 -3.87388 6.16165 43.9955 6.12513 -21.3264 TIMING: 3615600 CPU: 10825.1, 0.00307087/step Wall: 10825.1, 0.00307087/step, 1.18092 hours remaining, 208.507812 MB of memory in use. ENERGY: 3615600 753.6761 2108.9313 1910.0514 101.8248 -206344.0321 17904.1471 0.0000 0.0000 34373.0515 -149192.3498 300.1884 -183565.4014 -149093.5080 299.7994 104.6636 135.3120 555700.5122 2.4125 2.4357 PRESSURE: 3615800 124.5 39.0428 195.23 39.0437 -54.9593 118.489 195.229 118.49 -178.078 GPRESSURE: 3615800 140.152 -21.0706 226.43 14.2065 -57.4718 76.872 141.336 69.4614 -109.037 PRESSAVG: 3615800 3.3896 -10.211 -4.46665 -10.211 -5.00097 32.332 -4.46668 32.332 4.31438 GPRESSAVG: 3615800 3.43109 -8.95864 -3.11244 -9.18754 -4.18755 33.1787 -4.12767 32.4118 3.17078 TIMING: 3615800 CPU: 10825.7, 0.00306023/step Wall: 10825.7, 0.00306023/step, 1.17666 hours remaining, 208.507812 MB of memory in use. ENERGY: 3615800 753.5767 2057.3913 1933.6431 104.7373 -206182.9707 17816.5581 0.0000 0.0000 34137.7207 -149379.3434 298.1332 -183517.0641 -149284.8820 299.8502 -36.1791 -8.7858 558049.6092 0.9010 0.8048 PRESSURE: 3616000 114.897 -62.9058 73.7817 -62.9067 -59.4861 70.0376 73.7824 70.0377 -159.488 GPRESSURE: 3616000 153.508 -116.783 68.7641 -80.4444 -35.841 21.5237 99.7975 55.9254 -129.265 PRESSAVG: 3616000 34.1011 12.2934 18.6011 12.2933 -20.0003 35.8123 18.601 35.8122 -17.2934 GPRESSAVG: 3616000 34.935 11.0335 20.0603 11.2588 -21.0344 35.169 19.6735 36.4133 -17.7097 TIMING: 3616000 CPU: 10826.3, 0.00305234/step Wall: 10826.3, 0.00305234/step, 1.17345 hours remaining, 208.507812 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: 3616000 741.4994 2091.5726 1927.3458 116.7606 -206452.7377 17823.7601 0.0000 0.0000 34347.9970 -149403.8021 299.9696 -183751.7991 -149309.7545 298.9518 -34.6925 -3.8658 557223.1893 -1.0642 -1.2697 PRESSURE: 3616200 -150.863 -219.238 59.5761 -219.238 193.977 -21.5681 59.5771 -21.5687 98.6547 GPRESSURE: 3616200 -102.879 -212.3 46.7965 -223.664 248.666 54.1375 -8.72493 40.3967 89.3963 PRESSAVG: 3616200 -10.9842 -41.443 -5.80633 -41.443 -18.7398 0.264351 -5.80643 0.264316 45.0715 GPRESSAVG: 3616200 -11.7841 -42.699 -6.15149 -40.9297 -18.1161 -0.312 -8.53235 -1.09544 45.3015 TIMING: 3616200 CPU: 10826.9, 0.00306587/step Wall: 10826.9, 0.00306587/step, 1.17849 hours remaining, 208.507812 MB of memory in use. ENERGY: 3616200 762.7646 2133.1212 1965.8244 114.1627 -206160.3158 17815.6440 0.0000 0.0000 34224.9876 -149143.8113 298.8953 -183368.7989 -149050.0740 298.6430 47.2564 78.3944 557158.0302 5.1158 5.1338 LDB: ============= START OF LOAD BALANCING ============== 10830.3 LDB: ============== END OF LOAD BALANCING =============== 10830.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10830.4 LDB: ============= START OF LOAD BALANCING ============== 10830.7 LDB: Largest compute 4820 load 0.024430 is 20.7% of average load 0.118117 LDB: Average compute 0.001728 is 1.5% of average load 0.118117 LDB: TIME 10830.7 LOAD: AVG 0.118117 MAX 0.21911 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.418 MB LDB: TIME 10830.7 LOAD: AVG 0.118117 MAX 0.21911 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.418 MB LDB: TIME 10830.7 LOAD: AVG 0.118117 MAX 0.21911 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.418 MB LDB: ============== END OF LOAD BALANCING =============== 10830.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10830.7 PRESSURE: 3616400 224.977 -96.9428 64.5325 -96.9429 -98.2257 -97.9386 64.532 -97.9388 114.252 GPRESSURE: 3616400 328.897 -127.346 159.824 -7.36227 -105.982 -183.419 31.4717 -54.2702 122.485 PRESSAVG: 3616400 -35.1017 -30.385 -32.1224 -30.385 -44.8727 48.8553 -32.1224 48.8555 33.4594 GPRESSAVG: 3616400 -35.4541 -28.2142 -32.6904 -31.6813 -45.0995 48.5994 -31.7964 49.0186 34.817 TIMING: 3616400 CPU: 10827.5, 0.0030968/step Wall: 10827.5, 0.0030968/step, 1.1902 hours remaining, 205.929688 MB of memory in use. ENERGY: 3616400 683.5739 2155.8914 1941.4883 116.0151 -206225.1960 17785.3634 0.0000 0.0000 34236.2359 -149306.6280 298.9936 -183542.8640 -149216.0079 299.5478 80.3345 115.1334 556825.8946 -15.5050 -15.2455 PRESSURE: 3616600 102.964 153.485 -29.4238 153.486 75.2751 -77.5907 -29.4232 -77.5909 -17.303 GPRESSURE: 3616600 136.313 130.597 -40.6542 97.4519 99.561 -121.847 2.45477 -39.4568 35.1048 PRESSAVG: 3616600 9.66235 28.3753 6.23051 28.3753 -10.333 -16.4136 6.23049 -16.4136 18.3923 GPRESSAVG: 3616600 10.5437 27.2989 6.1399 29.8859 -10.4741 -15.0496 8.6842 -16.9629 17.5709 TIMING: 3616600 CPU: 10828.1, 0.00304137/step Wall: 10828.1, 0.00304137/step, 1.16873 hours remaining, 206.187500 MB of memory in use. ENERGY: 3616600 762.9849 2105.3091 1961.1042 117.1567 -206607.9026 17962.9134 0.0000 0.0000 34403.4749 -149294.9594 300.4541 -183698.4343 -149198.2144 299.2103 53.6454 90.3262 557317.7833 5.9072 5.8802 PRESSURE: 3616800 73.1467 -55.724 4.43227 -55.7235 -35.372 -50.5103 4.43202 -50.5096 -22.8631 GPRESSURE: 3616800 128.249 -33.5729 -10.9425 20.7475 -3.8327 -51.6864 50.0961 60.7809 -23.0994 PRESSAVG: 3616800 47.0445 -2.70876 0.895884 -2.7087 28.7006 30.4856 0.895822 30.4856 14.0316 GPRESSAVG: 3616800 44.6829 -1.83099 -1.10705 -2.32694 30.9284 30.7805 -0.0948145 30.0173 13.896 TIMING: 3616800 CPU: 10828.8, 0.00305614/step Wall: 10828.8, 0.00305614/step, 1.17424 hours remaining, 206.187500 MB of memory in use. ENERGY: 3616800 756.7647 2105.7560 1971.1866 114.8594 -206508.7442 17953.2065 0.0000 0.0000 34349.6323 -149257.3388 299.9839 -183606.9711 -149160.0054 299.6595 4.9705 33.7723 557927.9379 29.9256 29.8358 PRESSURE: 3617000 -254.088 -70.6396 -17.7754 -70.6408 -58.8098 -109.551 -17.7745 -109.553 -225.201 GPRESSURE: 3617000 -237.225 -33.1566 103.323 -56.3045 -52.2617 -56.0298 12.5055 -112.899 -142.187 PRESSAVG: 3617000 53.1201 1.64562 -17.1439 1.64563 -39.183 25.0927 -17.1438 25.0928 1.64443 GPRESSAVG: 3617000 53.5337 2.15183 -16.1249 -0.548123 -39.8666 24.3675 -15.2701 26.0264 1.62349 TIMING: 3617000 CPU: 10829.4, 0.00305932/step Wall: 10829.4, 0.00305932/step, 1.17529 hours remaining, 206.187500 MB of memory in use. ENERGY: 3617000 769.8166 2090.3208 1945.3960 112.4070 -206123.3908 17522.6309 0.0000 0.0000 34277.5652 -149405.2543 299.3545 -183682.8196 -149304.9667 298.9046 -179.3662 -143.8915 558277.5568 5.1938 5.0969 PRESSURE: 3617200 352.053 114.761 26.4857 114.763 94.711 -34.3201 26.4859 -34.3192 135.379 GPRESSURE: 3617200 356.256 97.3934 -25.794 70.9016 125.231 -124.984 48.1897 23.3729 191.021 PRESSAVG: 3617200 64.0208 -50.402 46.0866 -50.402 -120.629 0.518516 46.0866 0.518487 54.5519 GPRESSAVG: 3617200 64.1531 -49.4558 48.3516 -50.3607 -120.529 -0.171208 41.7613 1.38322 54.5597 TIMING: 3617200 CPU: 10830, 0.00304566/step Wall: 10830, 0.00304566/step, 1.16987 hours remaining, 206.187500 MB of memory in use. ENERGY: 3617200 736.8540 2093.1345 1955.0321 117.1674 -206823.2515 18128.6444 0.0000 0.0000 34309.9757 -149482.4434 299.6376 -183792.4191 -149382.8403 298.4860 194.0478 224.1694 555259.1682 -0.6855 -0.6055 PRESSURE: 3617400 341.528 176.052 -76.5882 176.051 -8.93572 70.088 -76.5888 70.0885 21.0501 GPRESSURE: 3617400 317.2 206.251 -156.976 159.892 27.155 81.8404 85.9342 -42.4989 100.511 PRESSAVG: 3617400 32.2145 -76.2031 15.267 -76.2031 -43.6067 39.8956 15.267 39.8956 29.1134 GPRESSAVG: 3617400 32.5816 -77.2014 13.4368 -76.5991 -42.6208 39.9941 18.7214 40.0789 27.422 TIMING: 3617400 CPU: 10830.6, 0.0030634/step Wall: 10830.6, 0.0030634/step, 1.17651 hours remaining, 206.187500 MB of memory in use. ENERGY: 3617400 745.9653 2095.6425 1926.6514 105.2659 -206565.2802 17992.9119 0.0000 0.0000 34270.8401 -149428.0030 299.2958 -183698.8431 -149336.1154 298.5318 117.8808 148.2885 557774.1800 5.9071 5.7943 PRESSURE: 3617600 -16.646 115.61 116.689 115.61 40.7561 30.8746 116.689 30.8751 85.0336 GPRESSURE: 3617600 25.2486 163.001 45.7117 95.6832 59.1975 62.0217 132.897 -42.7491 113.936 PRESSAVG: 3617600 56.2982 -19.7336 -25.503 -19.7337 -15.0261 45.8685 -25.503 45.8685 -44.5817 GPRESSAVG: 3617600 56.4826 -19.9377 -25.3458 -21.164 -17.2938 45.9908 -25.5809 45.3212 -42.1352 TIMING: 3617600 CPU: 10831.2, 0.00305431/step Wall: 10831.2, 0.00305431/step, 1.17286 hours remaining, 206.242188 MB of memory in use. ENERGY: 3617600 780.6282 2195.8575 1908.0768 118.5844 -206607.0535 18131.4947 0.0000 0.0000 34153.7945 -149318.6176 298.2736 -183472.4121 -149217.3561 298.7356 36.3812 66.1273 559021.8664 -1.1032 -0.9822 PRESSURE: 3617800 156.613 -80.2923 -117.068 -80.2907 91.3522 -18.3432 -117.066 -18.3439 84.5565 GPRESSURE: 3617800 159.762 -168.687 -73.7745 -4.51258 92.04 -1.38393 -66.4414 -5.41865 166.584 PRESSAVG: 3617800 32.4828 42.2986 -43.7606 42.2986 14.5887 16.4399 -43.7605 16.4398 -47.9683 GPRESSAVG: 3617800 31.1986 41.3524 -42.3308 43.9562 16.912 15.985 -41.9702 16.7006 -49.1947 TIMING: 3617800 CPU: 10831.8, 0.00305471/step Wall: 10831.8, 0.00305471/step, 1.17284 hours remaining, 206.242188 MB of memory in use. ENERGY: 3617800 763.4899 2100.0081 1914.9021 100.6360 -206399.1994 18035.8676 0.0000 0.0000 34305.8061 -149178.4896 299.6011 -183484.2957 -149083.5705 299.0441 110.8406 139.4621 558986.0791 -0.2990 -0.3614 PRESSURE: 3618000 19.2728 -5.77732 -142.272 -5.77634 219.604 -153.328 -142.271 -153.329 -31.487 GPRESSURE: 3618000 37.4725 18.5015 -57.1816 -62.4702 214.315 -156.512 -105.527 -81.1141 54.1536 PRESSAVG: 3618000 -52.9354 11.2955 -60.6305 11.2955 38.0573 19.2099 -60.6304 19.2099 42.6396 GPRESSAVG: 3618000 -52.2764 13.563 -60.7478 11.8616 36.1127 20.4154 -61.9191 18.7547 43.8536 TIMING: 3618000 CPU: 10832.4, 0.00307445/step Wall: 10832.4, 0.00307445/step, 1.18025 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: 3618000 731.8367 2117.3268 1952.5628 121.6068 -206210.8400 17845.3647 0.0000 0.0000 34356.5987 -149085.5434 300.0447 -183442.1421 -148990.4656 299.1856 69.1300 101.9804 558267.3176 9.2538 9.2300 PRESSURE: 3618200 -132.366 12.4991 -37.6911 12.4993 -157.489 -170.039 -37.6924 -170.039 5.25454 GPRESSURE: 3618200 -90.6114 79.8341 -41.1527 -0.653229 -160.683 -161.088 -85.4604 -170.065 53.9889 PRESSAVG: 3618200 -37.6882 14.0855 -33.2244 14.0853 22.7616 -7.7614 -33.2244 -7.76134 -9.24813 GPRESSAVG: 3618200 -37.5975 13.593 -33.5804 12.1418 22.4792 -6.59909 -35.0703 -6.65409 -9.33221 TIMING: 3618200 CPU: 10833, 0.00305853/step Wall: 10833, 0.00305853/step, 1.17396 hours remaining, 206.242188 MB of memory in use. ENERGY: 3618200 783.7229 2146.0961 1946.6763 103.1832 -206290.5564 17839.8698 0.0000 0.0000 34342.6460 -149128.3622 299.9229 -183471.0082 -149038.2047 299.7390 -94.8665 -65.7685 558060.2479 -8.0582 -8.1502 PRESSURE: 3618400 -4.99539 -232.415 -156.66 -232.417 -183.273 46.6043 -156.659 46.6041 -25.9843 GPRESSURE: 3618400 24.9022 -292.405 -252.072 -187.88 -136.172 -36.7176 -85.1875 85.3917 7.14339 PRESSAVG: 3618400 -39.1554 -19.5491 -39.3635 -19.549 -7.11581 26.0058 -39.3635 26.0058 25.3029 GPRESSAVG: 3618400 -39.3839 -21.5673 -39.7508 -18.1577 -5.92806 22.859 -39.7005 26.3791 24.4702 TIMING: 3618400 CPU: 10833.6, 0.00303117/step Wall: 10833.6, 0.00303117/step, 1.16329 hours remaining, 206.242188 MB of memory in use. ENERGY: 3618400 763.9284 2040.6704 1946.5549 112.1621 -205890.1449 17671.6897 0.0000 0.0000 34139.2045 -149215.9349 298.1462 -183355.1394 -149110.8662 299.6891 -71.4174 -34.7088 558343.3825 -6.9894 -6.9473 PRESSURE: 3618600 239.016 -149.754 70.2744 -149.753 137.132 -72.078 70.2726 -72.0757 315.611 GPRESSURE: 3618600 239.279 -99.9319 40.3715 -169.991 240.617 -47.3636 88.6356 -85.1272 305.992 PRESSAVG: 3618600 -39.5701 -49.4784 -24.8603 -49.4784 21.0626 -7.35803 -24.8602 -7.35816 8.35586 GPRESSAVG: 3618600 -39.0937 -47.0676 -25.543 -49.1794 20.857 -6.49832 -24.0255 -6.69333 8.12069 TIMING: 3618600 CPU: 10834.2, 0.00303383/step Wall: 10834.2, 0.00303383/step, 1.16415 hours remaining, 206.242188 MB of memory in use. ENERGY: 3618600 754.9820 2084.8449 1981.1240 122.4497 -206452.5698 18192.5804 0.0000 0.0000 34204.5729 -149112.0160 298.7170 -183316.5889 -149018.7363 298.8474 230.5864 261.9627 556008.6179 -3.3839 -3.3720 PRESSURE: 3618800 295.144 50.6245 -56.4277 50.624 222.137 251.959 -56.4292 251.959 226.849 GPRESSURE: 3618800 390.779 2.86877 -19.1593 36.021 203.214 291.652 -12.2312 253.471 260.848 PRESSAVG: 3618800 17.9138 29.4483 -6.00065 29.4482 4.40946 -27.7632 -6.00076 -27.7634 -5.91506 GPRESSAVG: 3618800 18.7132 25.3823 -4.73866 29.1016 4.41712 -26.2252 -6.16667 -29.8661 -6.67809 TIMING: 3618800 CPU: 10834.9, 0.00303183/step Wall: 10834.9, 0.00303183/step, 1.16321 hours remaining, 206.242188 MB of memory in use. ENERGY: 3618800 707.9151 2079.2139 1955.1302 118.4799 -206635.2805 18289.4687 0.0000 0.0000 34154.9704 -149330.1022 298.2839 -183485.0727 -149232.1652 298.8021 248.0436 284.9467 555987.7199 5.4694 5.4841 PRESSURE: 3619000 103.926 50.991 4.77562 50.9909 37.6898 -57.5704 4.77516 -57.5687 46.9078 GPRESSURE: 3619000 106.967 -25.0726 -60.5719 129.857 41.2605 -70.7308 15.245 -3.52893 134.664 PRESSAVG: 3619000 -17.886 -10.591 -82.7952 -10.5908 -15.7057 -15.7519 -82.7951 -15.7519 46.2897 GPRESSAVG: 3619000 -18.4186 -7.90703 -85.9029 -11.9305 -15.7497 -16.7152 -81.4129 -13.0203 46.5331 TIMING: 3619000 CPU: 10835.5, 0.00304046/step Wall: 10835.5, 0.00304046/step, 1.16635 hours remaining, 206.242188 MB of memory in use. ENERGY: 3619000 772.1172 2125.4294 1956.4459 103.4913 -206008.6355 17870.4320 0.0000 0.0000 33964.6639 -149216.0559 296.6219 -183180.7198 -149114.5931 298.3640 62.8411 94.2972 557605.8470 4.2327 4.1216 PRESSURE: 3619200 -170.709 97.9073 -23.7271 97.907 -326.302 105.208 -23.7273 105.208 -36.9059 GPRESSURE: 3619200 -71.4294 111.327 -5.95081 70.9665 -351.49 25.7061 -13.5448 133.275 -25.6769 PRESSAVG: 3619200 -13.5763 27.4534 -5.58062 27.4534 7.5148 -19.9852 -5.58056 -19.9853 -7.47634 GPRESSAVG: 3619200 -13.0955 28.0619 -4.97611 29.327 7.40171 -21.0899 -5.65693 -20.4211 -7.65417 TIMING: 3619200 CPU: 10836.1, 0.00304994/step Wall: 10836.1, 0.00304994/step, 1.16982 hours remaining, 206.242188 MB of memory in use. ENERGY: 3619200 745.7477 2102.3633 1962.8808 102.4548 -205821.6296 17416.1418 0.0000 0.0000 34349.3376 -149142.7037 299.9813 -183492.0413 -149046.5333 298.8085 -177.9722 -149.5322 557087.7135 -4.5126 -4.4493 PRESSURE: 3619400 37.9934 33.6583 106.907 33.6567 -315.485 -21.1024 106.906 -21.1025 166.084 GPRESSURE: 3619400 25.867 -34.3076 91.9 49.8058 -262.015 -41.3487 40.4983 6.93606 225.753 PRESSAVG: 3619400 -19.2128 6.78619 38.2418 6.78625 -11.3238 -21.8696 38.2418 -21.8696 30.5094 GPRESSAVG: 3619400 -20.6852 5.28169 39.3763 5.51688 -10.2194 -21.4435 36.8135 -22.1149 31.2867 TIMING: 3619400 CPU: 10836.7, 0.00301637/step Wall: 10836.7, 0.00301637/step, 1.15678 hours remaining, 206.242188 MB of memory in use. ENERGY: 3619400 725.0521 2132.6871 1949.2449 124.4214 -205930.1042 17704.0363 0.0000 0.0000 34237.0899 -149057.5723 299.0010 -183294.6623 -148964.7992 299.7276 -37.1357 -3.4649 557064.4795 -0.0091 0.1274 PRESSURE: 3619600 0.624286 -12.4065 -124.841 -12.4052 68.4575 0.101069 -124.841 0.0992281 -300.601 GPRESSURE: 3619600 44.986 -7.51967 -139.798 -46.2506 101.362 -32.691 -81.619 18.7257 -292.991 PRESSAVG: 3619600 39.0133 8.40829 -35.8339 8.40827 -46.5975 100.717 -35.8339 100.717 -2.93384 GPRESSAVG: 3619600 40.6672 8.53821 -35.9915 9.68956 -47.9947 102.21 -37.5123 100.152 -3.14119 TIMING: 3619600 CPU: 10837.3, 0.00302463/step Wall: 10837.3, 0.00302463/step, 1.15978 hours remaining, 206.242188 MB of memory in use. ENERGY: 3619600 767.5377 2110.8656 1958.7930 111.3823 -206362.2492 17878.8294 0.0000 0.0000 34410.6542 -149124.1870 300.5168 -183534.8413 -149023.3458 299.0589 -77.1730 -48.8808 557886.1195 -3.5060 -3.4896 PRESSURE: 3619800 -116.204 0.510322 -17.9117 0.51108 215.961 -25.7312 -17.9126 -25.7327 199.141 GPRESSURE: 3619800 -82.4874 -7.12107 -53.5662 -31.0061 228.569 -54.7291 18.7571 -58.3088 253.29 PRESSAVG: 3619800 60.8359 29.7707 -53.649 29.7708 6.92405 37.8026 -53.6491 37.8027 -94.0863 GPRESSAVG: 3619800 59.2313 30.4143 -54.0933 29.5451 6.98857 35.3598 -51.4435 38.114 -92.552 TIMING: 3619800 CPU: 10837.9, 0.00305088/step Wall: 10837.9, 0.00305088/step, 1.16967 hours remaining, 206.242188 MB of memory in use. ENERGY: 3619800 764.8848 2059.2633 1941.4565 93.4491 -205938.9562 17840.6729 0.0000 0.0000 34108.4417 -149130.7878 297.8775 -183239.2295 -149031.7793 299.1067 99.6327 133.1239 555480.5292 -8.7754 -8.7774 PRESSURE: 3620000 15.3151 75.7118 57.7875 75.7106 111.903 -30.8975 57.7886 -30.8966 184.687 GPRESSURE: 3620000 73.9754 95.5946 174.9 10.3963 163.638 32.2718 90.6411 -43.4826 176.425 PRESSAVG: 3620000 18.2668 14.8449 -36.5039 14.8449 -16.9844 24.1886 -36.504 24.1886 29.538 GPRESSAVG: 3620000 18.5452 16.4946 -36.4237 14.8153 -17.3798 24.5735 -36.2145 25.0274 29.7372 TIMING: 3620000 CPU: 10838.5, 0.00303843/step Wall: 10838.5, 0.00303843/step, 1.16473 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: 3620000 696.8569 2054.1504 1930.4521 116.5306 -206174.7924 17862.2320 0.0000 0.0000 34292.6572 -149221.9133 299.4863 -183514.5704 -149127.6265 299.3860 103.9685 138.0127 554332.8716 10.2735 10.3009 PRESSURE: 3620200 142.475 23.404 -114.29 23.4034 15.7511 -17.3686 -114.29 -17.3693 -13.7644 GPRESSURE: 3620200 149.896 -46.8804 -108.457 92.6524 47.4613 3.2852 -122.994 -23.5616 40.4276 PRESSAVG: 3620200 -31.8754 24.0772 -63.2392 24.0772 47.4358 -18.0726 -63.2392 -18.0726 -58.0562 GPRESSAVG: 3620200 -30.3005 21.7397 -62.0187 24.835 47.3713 -17.3905 -62.273 -19.2231 -59.7063 TIMING: 3620200 CPU: 10839.1, 0.00303717/step Wall: 10839.1, 0.00303717/step, 1.16408 hours remaining, 206.242188 MB of memory in use. ENERGY: 3620200 767.3518 2090.5172 1972.3450 117.2868 -206091.0326 17789.7362 0.0000 0.0000 34291.6387 -149062.1569 299.4774 -183353.7955 -148963.0331 299.6295 48.1538 79.2617 556526.0993 -14.1653 -14.2118 LDB: ============= START OF LOAD BALANCING ============== 10842.5 LDB: ============== END OF LOAD BALANCING =============== 10842.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10842.5 LDB: ============= START OF LOAD BALANCING ============== 10842.8 LDB: Largest compute 4820 load 0.025026 is 21.2% of average load 0.118125 LDB: Average compute 0.001732 is 1.5% of average load 0.118125 LDB: TIME 10842.8 LOAD: AVG 0.118125 MAX 0.219504 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.414 MB LDB: TIME 10842.8 LOAD: AVG 0.118125 MAX 0.219504 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.617 MB LDB: TIME 10842.8 LOAD: AVG 0.118125 MAX 0.219504 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.617 MB LDB: ============== END OF LOAD BALANCING =============== 10842.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10842.9 PRESSURE: 3620400 -62.3826 110.273 32.6025 110.272 -211.808 91.2143 32.602 91.2119 88.0225 GPRESSURE: 3620400 -58.8696 50.2504 78.3328 104.115 -169.317 23.8518 16.2759 55.8326 144.864 PRESSAVG: 3620400 -4.83404 -0.829646 -19.4173 -0.829776 -18.864 5.05411 -19.4175 5.0541 68.0496 GPRESSAVG: 3620400 -5.64992 1.42069 -21.694 -2.85103 -19.0124 5.18708 -19.7987 4.14614 69.026 TIMING: 3620400 CPU: 10839.7, 0.00309787/step Wall: 10839.7, 0.00309787/step, 1.18717 hours remaining, 205.925781 MB of memory in use. ENERGY: 3620400 771.2661 2102.3678 1936.8247 107.0157 -205914.2214 17681.0347 0.0000 0.0000 34551.1468 -148764.5656 301.7438 -183315.7124 -148657.0774 300.4438 -62.0562 -27.7741 555431.6536 14.7838 14.7879 PRESSURE: 3620600 -56.2643 192.63 -3.75871 192.63 -2.6779 55.5584 -3.75831 55.558 -200.343 GPRESSURE: 3620600 -88.9295 212.362 -41.9055 201.229 79.2154 188.002 -85.0201 6.521 -148.321 PRESSAVG: 3620600 20.1022 -17.5694 -23.4734 -17.5694 -38.4789 -46.7852 -23.4735 -46.7852 -3.61071 GPRESSAVG: 3620600 20.499 -18.3074 -20.8628 -18.2461 -37.8846 -46.3019 -23.6906 -46.5784 -4.45596 TIMING: 3620600 CPU: 10840.3, 0.00305884/step Wall: 10840.3, 0.00305884/step, 1.17205 hours remaining, 206.128906 MB of memory in use. ENERGY: 3620600 778.6504 2131.3836 1939.8219 112.7513 -205831.9537 17753.0567 0.0000 0.0000 34368.3036 -148747.9861 300.1469 -183116.2897 -148652.3545 301.1882 -86.4284 -52.6785 558188.5185 -7.3291 -7.2805 PRESSURE: 3620800 -125.837 142.691 -110.927 142.692 127.807 -103.078 -110.927 -103.077 -139.518 GPRESSURE: 3620800 -52.4404 121.326 -122.994 154.225 168.425 -182.928 -125.104 -172.364 -147.621 PRESSAVG: 3620800 -12.6258 -1.05605 22.265 -1.05595 60.0194 -1.00822 22.265 -1.00813 -53.6282 GPRESSAVG: 3620800 -12.7552 -1.92132 19.1655 -0.899198 60.1906 -1.36923 23.8994 -0.363831 -53.6993 TIMING: 3620800 CPU: 10840.9, 0.00305711/step Wall: 10840.9, 0.00305711/step, 1.17121 hours remaining, 206.128906 MB of memory in use. ENERGY: 3620800 779.7933 2147.6346 1951.0934 113.0976 -206116.1773 17879.2735 0.0000 0.0000 34384.7245 -148860.5604 300.2904 -183245.2849 -148771.6051 300.6955 -45.8495 -10.5456 557749.2307 -2.0782 -2.0880 PRESSURE: 3621000 93.2297 54.3264 -39.7899 54.3265 -150.659 -77.8255 -39.7897 -77.8249 77.212 GPRESSURE: 3621000 50.9622 50.1228 -99.8359 121.399 -76.6544 -98.8894 66.1691 -87.3736 148.276 PRESSAVG: 3621000 57.2114 19.7576 26.8864 19.7576 102.821 16.3578 26.8865 16.3578 -121.108 GPRESSAVG: 3621000 55.9741 20.629 30.265 20.3875 102.375 14.4875 24.6443 19.0963 -119.624 TIMING: 3621000 CPU: 10841.6, 0.00302853/step Wall: 10841.6, 0.00302853/step, 1.16009 hours remaining, 206.128906 MB of memory in use. ENERGY: 3621000 790.0706 2082.9503 1953.2960 115.9295 -205821.6905 17765.7441 0.0000 0.0000 34287.6401 -148826.0599 299.4425 -183113.7000 -148730.9388 300.9963 6.5941 40.8612 556165.8369 12.9748 12.9086 PRESSURE: 3621200 79.6782 138.413 -81.3836 138.414 204.174 -92.6076 -81.3837 -92.6082 -179.981 GPRESSURE: 3621200 79.1427 12.8939 -52.9997 117.389 217.103 -78.7598 -95.9188 -54.4649 -98.946 PRESSAVG: 3621200 42.7738 -6.46595 9.94953 -6.46599 14.7825 12.5421 9.94951 12.5421 -68.6998 GPRESSAVG: 3621200 41.6858 -7.59986 8.57867 -6.11706 16.1855 13.9352 11.1179 9.50976 -68.8874 TIMING: 3621200 CPU: 10842.2, 0.00302335/step Wall: 10842.2, 0.00302335/step, 1.15794 hours remaining, 206.128906 MB of memory in use. ENERGY: 3621200 739.1037 2180.1566 1947.0471 116.4892 -206150.7347 17932.9711 0.0000 0.0000 34383.0465 -148851.9207 300.2757 -183234.9671 -148757.1354 300.9863 34.6236 65.7664 557455.1202 -3.7145 -3.6720 PRESSURE: 3621400 219.994 150.729 -83.6867 150.728 11.1427 -12.2654 -83.6861 -12.2644 153.885 GPRESSURE: 3621400 259.565 137.54 -118.991 58.8175 78.0088 -43.7732 -40.2236 -27.401 148.426 PRESSAVG: 3621400 30.088 28.0654 15.255 28.0655 -12.1897 13.0587 15.255 13.0586 1.49409 GPRESSAVG: 3621400 31.8103 27.3752 15.0447 28.7214 -13.1986 11.0411 14.9467 13.6881 0.805728 TIMING: 3621400 CPU: 10842.8, 0.00302304/step Wall: 10842.8, 0.00302304/step, 1.15766 hours remaining, 206.128906 MB of memory in use. ENERGY: 3621400 747.9132 2150.9856 1933.7931 115.5483 -206566.6069 18028.7147 0.0000 0.0000 34616.2998 -148973.3523 302.3128 -183589.6521 -148872.2358 300.2985 128.3406 162.0000 556141.0413 6.4641 6.4725 PRESSURE: 3621600 -55.0755 -100.582 -77.5703 -100.582 -65.9381 -54.5001 -77.5703 -54.5 -56.0634 GPRESSURE: 3621600 -10.8871 -91.1573 -136.777 -119.614 -38.5809 -100.507 -41.9604 -17.1491 -37.9432 PRESSAVG: 3621600 35.101 -18.1255 26.949 -18.1255 -43.8659 -21.1779 26.9489 -21.1779 11.6926 GPRESSAVG: 3621600 35.5857 -16.6334 25.8914 -19.0181 -44.4083 -20.9641 27.4603 -22.571 11.1671 TIMING: 3621600 CPU: 10843.4, 0.00304388/step Wall: 10843.4, 0.00304388/step, 1.16547 hours remaining, 206.128906 MB of memory in use. ENERGY: 3621600 738.5484 2134.4872 1950.6986 123.1998 -205881.1029 17651.1507 0.0000 0.0000 34211.8674 -149071.1507 298.7807 -183283.0181 -148982.2040 300.2678 -59.0257 -29.1371 557655.3782 0.9759 0.7815 PRESSURE: 3621800 -103.411 89.8441 -107.758 89.8453 -185.233 -14.3298 -107.756 -14.3283 -163.817 GPRESSURE: 3621800 -89.9905 100.537 -29.6344 107.517 -119.71 -116.583 -149.74 11.3712 -148.046 PRESSAVG: 3621800 45.5248 -61.2865 15.1737 -61.2865 -12.0031 -55.2367 15.1738 -55.2368 -49.2454 GPRESSAVG: 3621800 44.1034 -61.358 19.0598 -60.9715 -10.7561 -53.1436 13.4162 -53.3903 -48.9944 TIMING: 3621800 CPU: 10844, 0.00303444/step Wall: 10844, 0.00303444/step, 1.16169 hours remaining, 206.128906 MB of memory in use. ENERGY: 3621800 761.4245 2108.1471 1923.5152 109.3693 -205762.7352 17371.0084 0.0000 0.0000 34327.2506 -149162.0202 299.7884 -183489.2708 -149069.3156 299.5651 -150.8203 -119.2487 556694.3090 -5.2412 -5.2157 PRESSURE: 3622000 -97.1556 70.964 67.657 70.9625 146.118 -13.0143 67.6578 -13.0133 247.399 GPRESSURE: 3622000 -11.6521 77.1243 173.702 111.45 124.108 -23.1532 96.9669 -44.7554 273.369 PRESSAVG: 3622000 -37.1619 16.5988 -67.7962 16.5989 47.2808 -14.7281 -67.7962 -14.7281 14.2377 GPRESSAVG: 3622000 -35.3348 14.6132 -69.1696 18.7893 45.7989 -16.7733 -66.9472 -16.3008 14.104 TIMING: 3622000 CPU: 10844.6, 0.00303654/step Wall: 10844.6, 0.00303654/step, 1.16232 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: 3622000 788.7875 2115.6196 1941.0745 121.9120 -206458.8802 18099.0096 0.0000 0.0000 34233.0353 -149159.4417 298.9656 -183392.4770 -149065.2538 300.0612 98.7872 128.6083 557156.9062 8.1189 8.1894 PRESSURE: 3622200 133.208 -221.867 235.415 -221.866 125.155 -34.1268 235.415 -34.1252 142.907 GPRESSURE: 3622200 198.307 -143.041 222.9 -222.379 100.497 -5.34511 138.287 -60.9468 210.044 PRESSAVG: 3622200 4.12642 -11.9775 19.3995 -11.9776 -7.27081 42.6016 19.3996 42.6016 38.1303 GPRESSAVG: 3622200 4.41016 -10.9876 18.2836 -13.2202 -7.08968 44.3253 20.0197 41.902 37.9494 TIMING: 3622200 CPU: 10845.2, 0.00304461/step Wall: 10845.2, 0.00304461/step, 1.16524 hours remaining, 206.128906 MB of memory in use. ENERGY: 3622200 742.6638 2152.9764 1936.9210 136.8938 -206572.5543 18031.9554 0.0000 0.0000 34290.3296 -149280.8143 299.4660 -183571.1439 -149177.7746 299.6005 133.7568 169.6159 556401.4395 11.6620 11.7566 PRESSURE: 3622400 -108.765 128.797 -43.1983 128.796 135.265 196.843 -43.1992 196.843 -254.933 GPRESSURE: 3622400 -60.8485 201.771 -59.83 123.844 117.711 73.7813 15.9998 128.968 -195.694 PRESSAVG: 3622400 -11.1439 40.9991 -73.6183 40.999 62.7945 25.0875 -73.6183 25.0875 -31.1803 GPRESSAVG: 3622400 -11.0258 39.4091 -74.9707 40.4741 63.2726 24.3664 -72.7073 25.308 -31.5319 TIMING: 3622400 CPU: 10845.8, 0.00303756/step Wall: 10845.8, 0.00303756/step, 1.16237 hours remaining, 206.128906 MB of memory in use. ENERGY: 3622400 702.1035 2172.7871 1945.1810 125.9104 -205989.4640 17717.7762 0.0000 0.0000 34403.0056 -148922.7003 300.4500 -183325.7059 -148826.9348 299.2428 -76.1442 -46.2770 558102.9915 6.8234 6.9050 PRESSURE: 3622600 -91.3051 -47.775 13.0803 -47.7762 -50.3167 6.44302 13.0798 6.44234 -303.971 GPRESSURE: 3622600 -45.4276 -46.2022 -19.0287 -29.929 -40.5144 -28.3228 31.5868 -21.6938 -259.937 PRESSAVG: 3622600 -2.53344 -9.59052 -42.561 -9.59056 45.219 7.7475 -42.561 7.74742 -48.1622 GPRESSAVG: 3622600 -2.06741 -7.28932 -41.3083 -12.0255 44.9332 7.31681 -43.5804 8.78197 -47.4806 TIMING: 3622600 CPU: 10846.4, 0.0030537/step Wall: 10846.4, 0.0030537/step, 1.16838 hours remaining, 206.128906 MB of memory in use. ENERGY: 3622600 776.6633 2056.8270 1938.2651 116.0314 -205794.7414 17684.7744 0.0000 0.0000 34287.0091 -148935.1712 299.4370 -183222.1802 -148840.1616 300.7384 -148.5311 -115.2930 559822.0615 -1.8255 -1.5383 PRESSURE: 3622800 -246.96 93.0169 -109.831 93.0179 137.027 -96.5728 -109.831 -96.574 156.768 GPRESSURE: 3622800 -258.367 23.8759 -22.9781 86.6352 179.154 -100.597 -107.308 -81.7208 227.269 PRESSAVG: 3622800 25.5828 24.667 0.567479 24.6671 35.4459 29.1354 0.567456 29.1353 -44.3736 GPRESSAVG: 3622800 24.2078 23.7002 -0.181812 27.0032 36.1616 31.3411 2.88017 27.3391 -43.6774 TIMING: 3622800 CPU: 10847, 0.00309291/step Wall: 10847, 0.00309291/step, 1.18321 hours remaining, 206.128906 MB of memory in use. ENERGY: 3622800 754.2017 2114.4431 1932.0039 120.1665 -205956.0796 17754.3827 0.0000 0.0000 34257.3563 -149023.5254 299.1780 -183280.8817 -148921.9789 299.7359 15.6116 49.3522 558236.6544 5.5517 5.5640 PRESSURE: 3623000 426.501 89.2634 -176.97 89.2631 232.719 32.7461 -176.97 32.7455 95.5161 GPRESSURE: 3623000 479.167 47.0975 -130.486 105.835 214.515 -85.3835 -148.334 57.629 146.606 PRESSAVG: 3623000 -0.139827 23.7282 -47.6749 23.7282 11.8997 -43.2423 -47.6748 -43.2422 27.8286 GPRESSAVG: 3623000 0.822078 23.886 -46.8652 22.0131 11.5056 -43.8162 -51.0037 -40.2119 27.0245 TIMING: 3623000 CPU: 10847.6, 0.00308256/step Wall: 10847.6, 0.00308256/step, 1.17908 hours remaining, 206.128906 MB of memory in use. ENERGY: 3623000 780.0865 2055.7202 1966.4173 121.6047 -206397.0860 18313.9325 0.0000 0.0000 34246.2850 -148913.0398 299.0813 -183159.3248 -148810.2857 300.3515 251.5788 280.0959 556695.8531 13.1961 13.1174 PRESSURE: 3623200 -62.1568 -18.3248 48.3138 -18.3238 92.1875 97.2677 48.3145 97.268 -272.666 GPRESSURE: 3623200 -38.1852 16.0323 82.5893 67.7546 136.833 51.7452 95.2204 119.095 -249.488 PRESSAVG: 3623200 -3.7696 20.9753 25.0334 20.9753 17.7479 -0.991436 25.0334 -0.991363 15.5346 GPRESSAVG: 3623200 -5.29282 21.9723 23.9848 22.3067 18.9625 -0.112138 26.1472 -2.05243 15.7824 TIMING: 3623200 CPU: 10848.3, 0.0030692/step Wall: 10848.3, 0.0030692/step, 1.1738 hours remaining, 206.128906 MB of memory in use. ENERGY: 3623200 775.8474 2140.3372 1941.4952 133.4656 -206063.4965 17760.9327 0.0000 0.0000 34279.9160 -149031.5024 299.3750 -183311.4184 -148930.6820 299.9990 -80.8784 -50.2802 556837.3074 9.8376 9.8174 PRESSURE: 3623400 -223.777 -147.952 120.343 -147.952 -3.18259 -148.832 120.342 -148.832 -321.005 GPRESSURE: 3623400 -237.221 -159.385 108.333 -131.011 6.28698 -94.9769 142.648 -129.313 -215.251 PRESSAVG: 3623400 -41.0786 -49.0258 32.1392 -49.0258 42.1162 -86.3142 32.1391 -86.3143 7.33347 GPRESSAVG: 3623400 -40.8458 -48.2952 33.1821 -51.7301 41.4961 -85.7984 30.9672 -85.7754 7.40747 TIMING: 3623400 CPU: 10848.9, 0.00304269/step Wall: 10848.9, 0.00304269/step, 1.16349 hours remaining, 206.128906 MB of memory in use. ENERGY: 3623400 719.5133 2152.2318 1923.8398 111.7718 -205983.3911 17477.9967 0.0000 0.0000 34371.1968 -149226.8408 300.1722 -183598.0376 -149126.3256 300.0057 -182.6549 -148.7284 558720.0507 2.7904 2.6859 PRESSURE: 3623600 -5.68719 -137.862 -147.506 -137.862 -11.6422 16.3889 -147.507 16.3883 1.5504 GPRESSURE: 3623600 -5.95643 -189.136 -9.42898 -40.3759 10.1736 79.406 -190.903 -38.5974 92.0271 PRESSAVG: 3623600 -33.3673 3.08932 -8.8542 3.08933 46.5296 -41.367 -8.85409 -41.367 -36.782 GPRESSAVG: 3623600 -33.5257 2.72438 -8.77571 4.86094 46.3909 -42.2613 -8.42348 -42.9624 -35.9098 TIMING: 3623600 CPU: 10849.5, 0.00306149/step Wall: 10849.5, 0.00306149/step, 1.17051 hours remaining, 206.128906 MB of memory in use. ENERGY: 3623600 710.2363 2095.6977 1950.0128 120.6993 -206356.1081 17786.0835 0.0000 0.0000 34427.3538 -149266.0248 300.6626 -183693.3786 -149162.6907 299.4865 -5.2597 32.0814 557653.8030 -7.8732 -7.6815 PRESSURE: 3623800 -65.1765 29.4208 -23.5205 29.4206 101.718 -89.3802 -23.5217 -89.381 11.3259 GPRESSURE: 3623800 -44.4879 26.0397 2.38412 21.6084 168.617 -160.759 -33.9419 -110.965 18.8335 PRESSAVG: 3623800 -28.9964 37.0136 -6.90802 37.0136 9.29548 -39.2505 -6.90817 -39.2505 45.6299 GPRESSAVG: 3623800 -28.1296 35.5006 -7.78288 37.8586 9.86681 -39.9344 -6.44582 -36.8655 44.2469 TIMING: 3623800 CPU: 10850.1, 0.00305733/step Wall: 10850.1, 0.00305733/step, 1.16875 hours remaining, 206.128906 MB of memory in use. ENERGY: 3623800 754.4645 2097.7155 1954.2490 120.3929 -206510.9127 18134.4519 0.0000 0.0000 34131.4476 -149318.1913 298.0784 -183449.6389 -149224.3865 298.8331 15.9556 47.6541 558316.3134 8.6430 8.6614 PRESSURE: 3624000 130.102 -1.0464 -133.783 -1.04696 -109.46 14.3322 -133.782 14.3324 5.027 GPRESSURE: 3624000 176.923 -63.742 -139.734 10.5175 -97.5059 41.4669 -21.9198 -23.4305 32.6205 PRESSAVG: 3624000 14.0634 28.4141 -45.8078 28.4141 5.48511 -31.704 -45.8078 -31.7039 11.3513 GPRESSAVG: 3624000 14.6243 29.6563 -45.4007 27.37 4.35416 -29.6591 -46.6057 -33.6648 12.0941 TIMING: 3624000 CPU: 10850.7, 0.00304708/step Wall: 10850.7, 0.00304708/step, 1.16466 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: 3624000 755.8308 2084.8239 1973.7400 110.4703 -206313.6907 17872.1980 0.0000 0.0000 34130.7469 -149385.8809 298.0723 -183516.6277 -149285.3117 298.5998 8.5563 37.3458 557749.0894 10.2999 10.3575 PRESSURE: 3624200 -245.498 -61.6169 194.508 -61.6176 -152.192 -181.072 194.508 -181.073 -282.122 GPRESSURE: 3624200 -224.366 -111.063 258.178 40.7494 -126.565 -169.623 210.252 -244.208 -232.304 PRESSAVG: 3624200 25.7977 -13.5108 34.7382 -13.5107 3.77273 -49.0395 34.7382 -49.0394 19.0028 GPRESSAVG: 3624200 26.2708 -14.3069 34.5911 -12.106 4.64578 -50.9988 35.7866 -46.6271 18.1348 TIMING: 3624200 CPU: 10851.3, 0.00306288/step Wall: 10851.3, 0.00306288/step, 1.17053 hours remaining, 206.128906 MB of memory in use. ENERGY: 3624200 751.1834 2068.3019 1954.5107 122.6294 -206041.3391 17609.3625 0.0000 0.0000 33966.1091 -149569.2420 296.6345 -183535.3512 -149473.3000 298.2003 -226.6039 -194.4117 557465.9521 16.1911 16.3504 LDB: ============= START OF LOAD BALANCING ============== 10854.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10854.8 LDB: =============== DONE WITH MIGRATION ================ 10854.8 LDB: ============= START OF LOAD BALANCING ============== 10855.1 LDB: Largest compute 4820 load 0.028210 is 23.9% of average load 0.118024 LDB: Average compute 0.001729 is 1.5% of average load 0.118024 LDB: TIME 10855.1 LOAD: AVG 0.118024 MAX 0.221303 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.184 MB LDB: TIME 10855.1 LOAD: AVG 0.118024 MAX 0.221303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.254 MB LDB: TIME 10855.1 LOAD: AVG 0.118024 MAX 0.221303 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.254 MB LDB: ============== END OF LOAD BALANCING =============== 10855.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10855.1 PRESSURE: 3624400 -158.045 -53.4592 132.262 -53.4593 -1.76646 17.1932 132.262 17.1936 -1.99693 GPRESSURE: 3624400 -162.22 -43.1999 147.233 19.8993 -3.9885 35.1302 56.829 26.0726 106.759 PRESSAVG: 3624400 39.8083 -35.15 40.4293 -35.1499 21.603 6.25871 40.4293 6.25878 -33.7285 GPRESSAVG: 3624400 40.4256 -33.4994 39.3388 -35.1565 20.3039 5.23672 40.2795 5.59111 -33.3575 TIMING: 3624400 CPU: 10851.9, 0.00312763/step Wall: 10851.9, 0.00312763/step, 1.1951 hours remaining, 209.414062 MB of memory in use. ENERGY: 3624400 763.0088 2100.3410 1961.0351 103.8289 -206376.7559 17834.1364 0.0000 0.0000 34049.8894 -149564.5161 297.3662 -183614.4056 -149467.5653 298.4289 -53.9361 -19.8165 557615.2202 9.2276 9.1240 PRESSURE: 3624600 -121.169 42.6406 -159.998 42.6408 200.583 98.6278 -159.997 98.6275 -236.901 GPRESSURE: 3624600 -120.507 191.394 -216.259 -57.0854 214.213 46.4659 -147.442 77.7565 -158.957 PRESSAVG: 3624600 5.3131 6.02773 58.011 6.02772 14.4207 -40.9563 58.011 -40.9563 -0.642123 GPRESSAVG: 3624600 4.57648 5.07704 56.1506 6.24677 14.8173 -41.1073 59.231 -39.1555 -0.446535 TIMING: 3624600 CPU: 10852.6, 0.0030547/step Wall: 10852.6, 0.0030547/step, 1.16706 hours remaining, 209.484375 MB of memory in use. ENERGY: 3624600 783.0228 2117.1421 1941.5202 121.5944 -206602.1729 18004.8251 0.0000 0.0000 34045.4086 -149588.6597 297.3270 -183634.0683 -149495.6927 298.1137 -52.4956 -21.7501 558460.5397 6.3639 6.3157 PRESSURE: 3624800 -21.2782 -80.4997 167.823 -80.4996 -17.5861 -157.521 167.823 -157.521 -82.9583 GPRESSURE: 3624800 22.1994 -39.4355 210.739 -109.764 9.00229 -196.106 122.89 -58.7434 -57.396 PRESSAVG: 3624800 -34.303 57.7051 0.0395348 57.7051 96.6862 38.3242 0.0395568 38.3242 -35.08 GPRESSAVG: 3624800 -33.5399 57.2566 3.00194 58.1824 96.7378 39.0359 0.594601 36.0226 -35.8515 TIMING: 3624800 CPU: 10853.2, 0.00305107/step Wall: 10853.2, 0.00305107/step, 1.16551 hours remaining, 209.484375 MB of memory in use. ENERGY: 3624800 782.3258 2116.7869 1953.0494 116.5017 -206447.8020 17868.5116 0.0000 0.0000 34044.1062 -149566.5204 297.3156 -183610.6267 -149467.6149 298.6864 -40.6076 -8.7314 557135.9352 9.1011 9.1155 PRESSURE: 3625000 265.057 79.1206 -181.697 79.1207 16.1641 -73.1725 -181.697 -73.1728 45.041 GPRESSURE: 3625000 258.681 138.667 -175.145 -30.4591 65.0472 -48.0283 -146.12 -25.2011 111.522 PRESSAVG: 3625000 28.335 19.5007 14.2717 19.5009 -59.4418 -7.47388 14.2717 -7.47376 -22.763 GPRESSAVG: 3625000 27.5167 19.1234 14.7496 18.6047 -58.5598 -5.68001 10.718 -7.79296 -22.8928 TIMING: 3625000 CPU: 10853.8, 0.00305118/step Wall: 10853.8, 0.00305118/step, 1.16538 hours remaining, 209.484375 MB of memory in use. ENERGY: 3625000 741.2323 2087.6524 1954.4980 112.7193 -206914.2249 18137.2760 0.0000 0.0000 34297.0613 -149583.7856 299.5248 -183880.8469 -149488.9358 298.6634 108.7540 145.0831 555799.0144 -17.9566 -17.9787 PRESSURE: 3625200 61.6984 96.6859 -14.0959 96.6852 -346.043 18.4467 -14.0968 18.4466 119.004 GPRESSURE: 3625200 115.344 46.4996 -32.8312 65.8825 -319.322 28.1412 38.5115 68.8218 132.663 PRESSAVG: 3625200 46.0316 34.953 12.2935 34.953 -23.9107 15.6824 12.2935 15.6824 -45.3522 GPRESSAVG: 3625200 47.2734 34.8006 12.5059 36.4994 -25.6 14.7445 14.9548 17.7378 -44.4628 TIMING: 3625200 CPU: 10854.4, 0.00307953/step Wall: 10854.4, 0.00307953/step, 1.17604 hours remaining, 209.484375 MB of memory in use. ENERGY: 3625200 746.0598 2056.2558 1959.6684 102.2810 -206330.6473 17612.7884 0.0000 0.0000 34201.1200 -149652.4738 298.6869 -183853.5939 -149561.0057 297.7994 -55.1137 -23.7715 555975.1656 -7.7438 -7.5965 PRESSURE: 3625400 -76.353 200.683 -104.596 200.683 119.867 73.1814 -104.596 73.1809 79.0425 GPRESSURE: 3625400 -25.4923 106.216 -118.316 266.651 148.68 8.56157 -143.666 45.3128 89.6464 PRESSAVG: 3625400 18.9666 -6.00916 -24.7178 -6.00916 -25.2721 18.7834 -24.7179 18.7836 11.1568 GPRESSAVG: 3625400 17.1204 -5.74329 -25.7704 -7.95138 -24.3103 20.1421 -26.2645 18.4729 12.3261 TIMING: 3625400 CPU: 10855, 0.00309488/step Wall: 10855, 0.00309488/step, 1.18173 hours remaining, 209.484375 MB of memory in use. ENERGY: 3625400 747.8810 2042.7222 1957.4441 115.2882 -206538.8251 17956.5813 0.0000 0.0000 34160.7004 -149558.2079 298.3339 -183718.9083 -149464.8063 297.8992 40.8520 70.9446 556493.5372 1.6171 1.7121 PRESSURE: 3625600 322.008 147.506 -64.9104 147.506 4.86276 118.054 -64.9108 118.054 3.89438 GPRESSURE: 3625600 371.131 97.7876 -23.5821 96.4325 19.8095 128.542 -48.838 38.0531 39.974 PRESSAVG: 3625600 63.2325 13.1147 -18.8637 13.1148 1.97107 13.2315 -18.8637 13.2314 -33.9548 GPRESSAVG: 3625600 64.4707 11.8292 -20.1828 13.4478 1.11907 11.2004 -17.9074 13.1234 -35.0989 TIMING: 3625600 CPU: 10855.6, 0.00309275/step Wall: 10855.6, 0.00309275/step, 1.18074 hours remaining, 209.484375 MB of memory in use. ENERGY: 3625600 728.6794 2040.3198 1957.9119 125.8661 -206716.4853 18134.5001 0.0000 0.0000 34106.4654 -149622.7426 297.8602 -183729.2080 -149523.6274 298.4419 110.2549 143.6381 556063.4718 10.4162 10.1636 PRESSURE: 3625800 184.479 24.2328 89.9648 24.234 -77.429 101.502 89.9646 101.502 238.014 GPRESSURE: 3625800 217.421 9.97701 186.447 42.4464 4.47142 113.891 22.1988 157.431 227.515 PRESSAVG: 3625800 59.6826 87.8703 26.2456 87.8703 -9.73782 35.149 26.2456 35.149 -16.112 GPRESSAVG: 3625800 59.0258 89.3634 29.7964 88.0908 -9.40668 36.1454 25.2831 33.1602 -15.6496 TIMING: 3625800 CPU: 10856.2, 0.00307452/step Wall: 10856.2, 0.00307452/step, 1.17361 hours remaining, 209.484375 MB of memory in use. ENERGY: 3625800 727.9650 2004.2018 1943.0705 96.7634 -206738.9317 18187.0575 0.0000 0.0000 34129.5794 -149650.2940 298.0621 -183779.8734 -149550.4066 298.5800 115.0213 149.8024 556572.9159 11.2776 11.3232 PRESSURE: 3626000 204.543 122.628 58.6483 122.628 159.265 41.2777 58.6475 41.279 135.988 GPRESSURE: 3626000 225.748 87.291 57.2684 80.208 221.012 92.2526 82.0412 -115.274 143.448 PRESSAVG: 3626000 44.13 50.8758 55.2718 50.8759 -56.2736 10.2594 55.2718 10.2595 39.2448 GPRESSAVG: 3626000 43.1925 51.2633 51.476 52.7204 -56.1848 11.4783 57.4622 9.98063 39.5891 TIMING: 3626000 CPU: 10856.9, 0.00311229/step Wall: 10856.9, 0.00311228/step, 1.18786 hours remaining, 209.484375 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: 3626000 751.7322 2089.1981 1952.2830 106.6943 -206712.7020 18157.0347 0.0000 0.0000 34143.1169 -149512.6428 298.1803 -183655.7597 -149424.6286 299.2425 166.5988 196.7360 556107.0181 9.0337 8.8656 PRESSURE: 3626200 74.3066 27.3046 111.436 27.3062 107.991 3.35285 111.437 3.35234 -293.441 GPRESSURE: 3626200 126.054 29.1779 83.6681 -23.3571 64.0716 8.80069 104.575 40.8429 -219.683 PRESSAVG: 3626200 71.7704 26.3326 33.2136 26.3327 -5.01007 17.6021 33.2137 17.6021 -25.923 GPRESSAVG: 3626200 71.6152 26.8724 33.4401 23.5073 -4.87924 14.9961 31.4319 18.6972 -25.7272 TIMING: 3626200 CPU: 10857.5, 0.00309728/step Wall: 10857.5, 0.00309728/step, 1.18196 hours remaining, 209.484375 MB of memory in use. ENERGY: 3626200 750.2957 2087.4959 1928.0928 94.3634 -206157.6913 17907.3001 0.0000 0.0000 34032.7868 -149357.3565 297.2168 -183390.1433 -149266.3990 298.4640 -37.0479 -9.8522 556483.8225 13.6124 13.6696 PRESSURE: 3626400 79.664 -58.1202 166.519 -58.1208 -107.762 32.7879 166.519 32.7878 -2.88098 GPRESSURE: 3626400 110.252 -106.971 74.3382 -64.4175 -52.828 49.0722 108.997 93.6292 11.4377 PRESSAVG: 3626400 98.8583 36.6835 51.1678 36.6835 -38.6514 -0.0936214 51.1679 -0.0937369 -48.6533 GPRESSAVG: 3626400 98.3068 35.6574 53.133 37.3459 -37.4171 0.701776 50.5559 -0.479481 -49.1247 TIMING: 3626400 CPU: 10858.1, 0.00310192/step Wall: 10858.1, 0.00310192/step, 1.18355 hours remaining, 209.484375 MB of memory in use. ENERGY: 3626400 734.3241 2069.4730 1946.8984 118.6596 -206404.0189 18039.8799 0.0000 0.0000 34143.9317 -149350.8521 298.1874 -183494.7838 -149253.4528 298.0659 -10.3265 22.9539 558794.6793 3.8512 3.9216 PRESSURE: 3626600 65.0258 -27.3506 9.53276 -27.3503 -120.304 -75.8409 9.53335 -75.8409 -47.7269 GPRESSURE: 3626600 144.889 -35.7786 -23.1147 -41.1474 -126.426 -19.9144 81.4994 26.785 -24.3781 PRESSAVG: 3626600 64.6613 -38.885 -8.12569 -38.8849 -27.6042 94.7043 -8.1257 94.7043 -55.726 GPRESSAVG: 3626600 66.5844 -39.0553 -7.51551 -40.3689 -30.1653 95.7393 -8.4199 96.3181 -55.5993 TIMING: 3626600 CPU: 10858.7, 0.00308463/step Wall: 10858.7, 0.00308463/step, 1.17679 hours remaining, 209.484375 MB of memory in use. ENERGY: 3626600 713.4922 2099.1397 1948.9699 119.7937 -206250.9346 17672.9624 0.0000 0.0000 34226.6674 -149469.9094 298.9100 -183696.5768 -149373.1137 298.7357 -34.3349 -1.9717 555967.7134 -6.2230 -6.3934 PRESSURE: 3626800 -269.882 -49.9177 -119.911 -49.9178 85.8971 94.7775 -119.912 94.7782 183.429 GPRESSURE: 3626800 -254.371 -28.3935 -63.7878 -22.4361 125.506 89.9434 -132.616 119 233.882 PRESSAVG: 3626800 -12.5386 12.9599 34.6613 12.9598 -63.9296 39.0089 34.6613 39.0088 35.399 GPRESSAVG: 3626800 -14.0832 15.3379 32.9558 14.0366 -61.9985 38.1983 34.3775 37.822 34.9981 TIMING: 3626800 CPU: 10859.3, 0.00309289/step Wall: 10859.3, 0.00309289/step, 1.17977 hours remaining, 209.484375 MB of memory in use. ENERGY: 3626800 723.2511 2151.0946 1929.2336 113.1094 -206323.7354 17643.3381 0.0000 0.0000 34429.1527 -149334.5559 300.6784 -183763.7086 -149236.7997 298.7785 -0.1852 35.0054 555256.7184 -13.6897 -13.6945 PRESSURE: 3627000 63.0548 46.6458 -98.7145 46.6451 62.1532 -63.914 -98.7148 -63.9136 96.0242 GPRESSURE: 3627000 66.9497 30.0534 -73.354 14.3728 113.392 -153.542 -91.4815 -84.3544 150.143 PRESSAVG: 3627000 -37.2174 -20.0004 -34.9175 -20.0004 19.007 29.3044 -34.9176 29.3043 20.6159 GPRESSAVG: 3627000 -36.8684 -22.0167 -37.0629 -20.3961 18.8477 29.375 -30.8901 30.5896 20.6472 TIMING: 3627000 CPU: 10860, 0.00308956/step Wall: 10860, 0.00308956/step, 1.17832 hours remaining, 209.484375 MB of memory in use. ENERGY: 3627000 742.2341 2119.0199 1931.5913 120.5779 -206316.2469 17824.5345 0.0000 0.0000 34279.4206 -149298.8685 299.3707 -183578.2892 -149209.2001 299.2775 73.7441 110.1616 555710.6670 0.8018 0.8755 PRESSURE: 3627200 138.862 13.4178 -97.5426 13.4172 -213.313 -78.6124 -97.5433 -78.6133 34.3307 GPRESSURE: 3627200 193.992 21.5002 -112.098 12.7986 -162.882 -97.2298 -70.0178 -162.655 18.026 PRESSAVG: 3627200 53.4457 48.055 17.2964 48.055 -21.8379 24.6911 17.2964 24.6911 -44.137 GPRESSAVG: 3627200 53.6339 48.4516 17.5616 49.2779 -22.3133 26.8758 15.7552 22.5331 -44.277 TIMING: 3627200 CPU: 10860.6, 0.00308365/step Wall: 10860.6, 0.00308365/step, 1.1759 hours remaining, 209.484375 MB of memory in use. ENERGY: 3627200 735.6567 2088.1481 1935.1220 116.8285 -206513.4018 17860.4231 0.0000 0.0000 34408.3779 -149368.8454 300.4969 -183777.2233 -149270.2305 298.7586 -13.3734 16.3787 555776.4050 -4.1764 -4.3188 PRESSURE: 3627400 40.7957 54.4268 -203.353 54.4272 -408.437 56.7437 -203.353 56.7431 69.85 GPRESSURE: 3627400 37.9754 68.8967 -196.136 46.4623 -329.79 41.0268 -175.386 27.6134 94.7275 PRESSAVG: 3627400 40.9702 3.27048 32.0814 3.27046 -54.359 -37.3239 32.0815 -37.3239 -5.7665 GPRESSAVG: 3627400 40.9863 3.8187 34.7774 0.846544 -55.0006 -37.3082 30.7542 -36.25 -4.67207 TIMING: 3627400 CPU: 10861.2, 0.00309571/step Wall: 10861.2, 0.00309571/step, 1.18032 hours remaining, 209.484375 MB of memory in use. ENERGY: 3627400 763.9904 2126.2320 1943.2161 117.4263 -206347.6053 17663.0464 0.0000 0.0000 34355.7690 -149377.9251 300.0375 -183733.6941 -149287.2722 300.0389 -99.2639 -65.6958 555602.7783 -6.3851 -6.2288 PRESSURE: 3627600 188.203 1.60888 150.154 1.60861 43.74 -37.4199 150.152 -37.4183 165.827 GPRESSURE: 3627600 233.61 -82.2988 168.227 -41.8129 71.0606 -59.9461 137.133 18.4004 186.743 PRESSAVG: 3627600 38.9151 9.59302 -0.159411 9.59294 5.50894 7.3512 -0.159423 7.35115 10.9178 GPRESSAVG: 3627600 39.9365 8.01099 -0.111501 12.4683 6.9028 5.63196 -1.53026 8.21828 8.92612 TIMING: 3627600 CPU: 10861.8, 0.00308078/step Wall: 10861.8, 0.00308078/step, 1.17446 hours remaining, 209.484375 MB of memory in use. ENERGY: 3627600 747.1208 2084.5676 1919.0328 111.5377 -206486.4703 18000.2073 0.0000 0.0000 34256.2538 -149367.7503 299.1684 -183624.0041 -149271.0154 299.2102 132.5900 163.8045 556989.1276 18.4473 18.5885 PRESSURE: 3627800 -25.0305 -204.528 204.115 -204.528 56.4813 -25.5165 204.115 -25.5166 153.446 GPRESSURE: 3627800 29.6106 -199.058 203.062 -205.365 50.3694 -78.7619 191.894 -73.9315 189.348 PRESSAVG: 3627800 -7.18948 18.9926 28.7065 18.9926 15.1626 23.6429 28.7065 23.6429 -29.6374 GPRESSAVG: 3627800 -5.6498 20.6291 28.9339 17.3128 13.837 24.9386 28.6902 22.0374 -29.6395 TIMING: 3627800 CPU: 10862.4, 0.00306587/step Wall: 10862.4, 0.00306587/step, 1.16861 hours remaining, 209.484375 MB of memory in use. ENERGY: 3627800 733.9208 2168.8265 1910.7022 113.5615 -206424.8044 17904.3263 0.0000 0.0000 34240.3618 -149353.1054 299.0296 -183593.4672 -149258.2712 299.4481 61.6324 89.7760 556831.3580 -7.2214 -7.1508 PRESSURE: 3628000 -131.096 -145.548 -150.885 -145.548 53.6549 108.706 -150.885 108.706 56.9833 GPRESSURE: 3628000 -114.129 -184.899 -121.262 -55.2058 114.209 37.8001 -193.822 141.397 64.1231 PRESSAVG: 3628000 27.4354 -40.9466 9.15863 -40.9466 9.19753 12.2111 9.15859 12.2111 -63.433 GPRESSAVG: 3628000 25.8236 -40.9684 9.15298 -39.4065 9.72225 11.7164 10.1426 12.6299 -62.1449 TIMING: 3628000 CPU: 10863, 0.00304365/step Wall: 10863, 0.00304365/step, 1.15997 hours remaining, 209.484375 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: 3628000 733.8412 2047.8071 1953.5053 103.3739 -206338.2176 17737.7676 0.0000 0.0000 34221.6433 -149540.2792 298.8661 -183761.9225 -149447.3393 298.8000 -6.8191 21.4011 557667.8452 -8.9334 -8.8664 PRESSURE: 3628200 153.544 -17.3948 -45.257 -17.3945 141.385 72.5615 -45.2581 72.5613 -191.054 GPRESSURE: 3628200 185.404 -22.1402 -32.2748 11.2027 204.916 194.882 -86.7323 16.2198 -189.107 PRESSAVG: 3628200 96.2673 5.84704 -11.2287 5.84716 -82.0679 36.6639 -11.2286 36.6638 -18.7361 GPRESSAVG: 3628200 96.6645 4.46519 -10.8297 6.10237 -82.221 37.5995 -11.1423 34.7772 -19.117 TIMING: 3628200 CPU: 10863.6, 0.00303384/step Wall: 10863.6, 0.00303384/step, 1.15606 hours remaining, 209.484375 MB of memory in use. ENERGY: 3628200 740.7501 2087.4281 1965.1333 108.0421 -206761.7734 17925.5196 0.0000 0.0000 34222.3650 -149712.5352 298.8724 -183934.9002 -149614.0834 298.2909 34.6249 67.0710 557122.0630 -1.5122 -1.5578 LDB: ============= START OF LOAD BALANCING ============== 10867.1 LDB: ============== END OF LOAD BALANCING =============== 10867.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10867.1 LDB: ============= START OF LOAD BALANCING ============== 10867.4 LDB: Largest compute 4820 load 0.027397 is 23.2% of average load 0.118149 LDB: Average compute 0.001727 is 1.5% of average load 0.118149 LDB: TIME 10867.4 LOAD: AVG 0.118149 MAX 0.218486 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.223 MB LDB: TIME 10867.4 LOAD: AVG 0.118149 MAX 0.218486 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.223 MB LDB: TIME 10867.4 LOAD: AVG 0.118149 MAX 0.218486 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.223 MB LDB: ============== END OF LOAD BALANCING =============== 10867.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10867.4 PRESSURE: 3628400 -97.1048 76.4143 -7.66792 76.414 6.88324 7.24595 -7.66935 7.24557 -50.8027 GPRESSURE: 3628400 -67.6393 38.5631 6.92013 81.3296 10.182 24.261 -70.4333 61.2201 1.18915 PRESSAVG: 3628400 -1.05951 -31.571 -6.01344 -31.571 -10.6743 -22.0331 -6.01341 -22.0331 31.51 GPRESSAVG: 3628400 -1.05206 -32.534 -8.48281 -32.5445 -10.0442 -24.1856 -6.60466 -19.9399 30.8235 TIMING: 3628400 CPU: 10864.3, 0.00308646/step Wall: 10864.3, 0.00308646/step, 1.17594 hours remaining, 206.457031 MB of memory in use. ENERGY: 3628400 757.2568 2091.1520 1938.0006 119.8450 -206581.9464 17753.3914 0.0000 0.0000 34455.5365 -149466.7640 300.9088 -183922.3006 -149367.9772 299.3428 -47.0081 -18.7560 557472.9890 6.5921 6.5758 PRESSURE: 3628600 74.8608 111.243 51.6856 111.242 -160.431 -1.2649 51.6854 -1.26519 40.1008 GPRESSURE: 3628600 136.137 181.336 3.95694 90.7664 -111.99 -57.8043 111.626 44.6891 31.8929 PRESSAVG: 3628600 49.1985 -35.1291 -44.993 -35.1291 -4.20246 -38.4461 -44.993 -38.4459 -11.7044 GPRESSAVG: 3628600 49.9292 -33.5322 -43.7123 -36.8336 -3.99794 -37.098 -43.6576 -39.4709 -12.1811 TIMING: 3628600 CPU: 10864.9, 0.00303788/step Wall: 10864.9, 0.00303788/step, 1.15726 hours remaining, 206.457031 MB of memory in use. ENERGY: 3628600 766.6583 2057.9772 1912.8305 125.2161 -206383.0911 17786.3183 0.0000 0.0000 34270.7032 -149463.3875 299.2946 -183734.0907 -149363.7758 299.4292 -15.1566 18.6798 556495.5695 11.0972 11.2501 PRESSURE: 3628800 -265.127 86.2964 79.0111 86.2948 -336.273 122.629 79.0098 122.629 -100.05 GPRESSURE: 3628800 -200.255 124.332 40.3627 121.542 -353.6 72.7835 132.124 165.814 -62.731 PRESSAVG: 3628800 44.5566 21.5844 -9.66399 21.5845 -40.1917 31.6895 -9.66395 31.6896 13.221 GPRESSAVG: 3628800 43.5135 21.2618 -9.07901 20.8489 -39.6851 28.9679 -9.98174 31.4854 13.1811 TIMING: 3628800 CPU: 10865.5, 0.00305292/step Wall: 10865.5, 0.00305292/step, 1.16282 hours remaining, 206.457031 MB of memory in use. ENERGY: 3628800 758.3802 2065.9842 1957.2696 120.0420 -206126.5557 17607.4929 0.0000 0.0000 34230.1867 -149387.2001 298.9407 -183617.3868 -149294.4012 298.8686 -233.8168 -205.5287 557615.1030 5.8620 5.6698 PRESSURE: 3629000 -236.51 -167.686 -189.206 -167.685 -407.543 -169.878 -189.207 -169.877 -152.377 GPRESSURE: 3629000 -213.9 -124.206 -123.572 -167.5 -340.506 -129.846 -214.461 -194.889 -136.119 PRESSAVG: 3629000 28.1405 14.2207 38.8759 14.2207 -44.849 -33.2258 38.8758 -33.2258 0.976653 GPRESSAVG: 3629000 28.3361 13.7792 36.9241 15.0136 -43.8985 -32.8901 40.7844 -31.5531 0.159047 TIMING: 3629000 CPU: 10866.1, 0.00304525/step Wall: 10866.1, 0.00304525/step, 1.15973 hours remaining, 206.457031 MB of memory in use. ENERGY: 3629000 750.2664 2108.5758 1929.6330 115.6573 -205657.8826 17364.7254 0.0000 0.0000 33997.9781 -149391.0467 296.9128 -183389.0248 -149298.8210 297.9705 -265.4766 -230.1749 558517.5092 -5.2440 -5.1345 PRESSURE: 3629200 -360.953 -40.1308 -152.878 -40.131 -372.373 -3.67294 -152.878 -3.67363 -166.901 GPRESSURE: 3629200 -306.793 -23.123 -85.4319 -46.1111 -377.864 -25.7959 -142.705 15.628 -113.005 PRESSAVG: 3629200 -25.503 -13.0903 -2.80103 -13.0903 -26.1409 -2.48889 -2.80113 -2.4888 25.2937 GPRESSAVG: 3629200 -26.0103 -11.2181 -1.35625 -12.8532 -27.4038 -1.69184 -4.85558 -2.46067 26.6656 TIMING: 3629200 CPU: 10866.7, 0.00304274/step Wall: 10866.7, 0.00304274/step, 1.15861 hours remaining, 206.457031 MB of memory in use. ENERGY: 3629200 731.2654 2095.6651 1910.7617 114.1522 -205975.5593 17367.7096 0.0000 0.0000 34141.7083 -149614.2971 298.1680 -183756.0054 -149516.0509 298.0132 -300.0757 -265.8873 558580.9811 -8.7834 -8.9162 PRESSURE: 3629400 -42.2916 2.14161 52.3815 2.14318 8.68304 13.7908 52.3823 13.7916 335.177 GPRESSURE: 3629400 34.4729 -1.66252 96.6675 -64.6729 82.4592 30.3327 93.7344 85.7514 278.618 PRESSAVG: 3629400 -50.6448 26.9819 45.1696 26.982 -24.8605 -20.1484 45.1696 -20.1483 101.303 GPRESSAVG: 3629400 -49.7038 26.9761 44.5709 26.1331 -23.2364 -17.8129 43.8037 -22.08 98.7498 TIMING: 3629400 CPU: 10867.3, 0.00303763/step Wall: 10867.3, 0.00303763/step, 1.15649 hours remaining, 206.457031 MB of memory in use. ENERGY: 3629400 764.9190 2052.6259 1889.9968 110.7152 -206745.2736 17998.8167 0.0000 0.0000 34381.5564 -149546.6436 300.2627 -183928.2000 -149449.8225 297.6717 100.5229 131.8500 555831.6029 8.5993 8.6032 PRESSURE: 3629600 -170.979 -35.988 68.1765 -35.9878 -59.0103 -71.8527 68.1776 -71.8527 -337.241 GPRESSURE: 3629600 -147.563 -0.633352 56.8253 19.2283 -22.7165 -46.7664 66.0674 -79.2428 -310.1 PRESSAVG: 3629600 -19.8389 12.9107 12.3468 12.9107 1.98102 -14.5196 12.3468 -14.5196 -5.64318 GPRESSAVG: 3629600 -19.8441 10.2057 12.937 15.3338 1.20604 -17.4171 15.0255 -12.2116 -4.97164 TIMING: 3629600 CPU: 10867.9, 0.00306316/step Wall: 10867.9, 0.00306316/step, 1.16604 hours remaining, 206.457031 MB of memory in use. ENERGY: 3629600 764.6153 2053.8450 1930.5901 108.0654 -206324.1363 17645.0975 0.0000 0.0000 34123.9702 -149697.9528 298.0131 -183821.9230 -149607.0174 297.8177 -189.0766 -160.1264 557916.1430 -7.8337 -7.8699 PRESSURE: 3629800 72.787 -35.0307 170.322 -35.0303 -164.762 73.9762 170.322 73.9772 -114.527 GPRESSURE: 3629800 59.4156 -57.6278 79.7868 -90.1123 -124.621 -9.16992 187.292 137.974 -55.1998 PRESSAVG: 3629800 59.3473 3.79913 -14.8246 3.79907 -41.4556 3.98014 -14.8245 3.98013 0.868358 GPRESSAVG: 3629800 57.7409 5.79603 -15.5293 1.31799 -40.7883 5.08005 -15.7688 4.70834 1.55255 TIMING: 3629800 CPU: 10868.5, 0.0030436/step Wall: 10868.5, 0.0030436/step, 1.15843 hours remaining, 206.457031 MB of memory in use. ENERGY: 3629800 757.1520 2129.5560 1915.5530 114.2057 -206307.3490 17917.3229 0.0000 0.0000 33912.0510 -149561.5084 296.1624 -183473.5594 -149466.7395 297.6533 -68.8340 -40.1350 558599.6293 6.2534 6.1684 PRESSURE: 3630000 17.4091 185.274 -41.2609 185.273 12.6904 112.928 -41.2605 112.928 31.6615 GPRESSURE: 3630000 18.0441 161.689 -30.3923 135.482 66.0125 134.426 -138.811 56.048 76.9337 PRESSAVG: 3630000 16.9701 -23.9165 -42.3858 -23.9167 -45.4832 12.4532 -42.3857 12.4532 21.9708 GPRESSAVG: 3630000 17.6017 -25.6279 -39.1661 -24.7361 -46.973 11.5715 -45.3051 10.4896 22.5521 TIMING: 3630000 CPU: 10869.1, 0.00304786/step Wall: 10869.1, 0.00304786/step, 1.15988 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: 3630000 733.2080 2068.6533 1916.4688 120.2396 -206728.4303 17979.8897 0.0000 0.0000 34176.7759 -149733.1950 298.4743 -183909.9709 -149636.5322 298.5790 20.5870 53.6634 557333.3512 -2.1808 -2.2731 PRESSURE: 3630200 -146.434 -49.3486 37.1825 -49.3489 -85.842 115.821 37.1837 115.821 -183.928 GPRESSURE: 3630200 -121.684 -18.4196 122.627 -52.0513 -93.844 94.0642 81.9153 66.9607 -94.7315 PRESSAVG: 3630200 -34.6375 17.6791 35.9831 17.679 -2.82387 -24.2063 35.9831 -24.2064 11.3022 GPRESSAVG: 3630200 -32.6737 19.866 35.708 18.2691 -2.6981 -23.1636 36.8635 -22.2235 9.91354 TIMING: 3630200 CPU: 10869.7, 0.00304459/step Wall: 10869.7, 0.00304459/step, 1.15847 hours remaining, 206.457031 MB of memory in use. ENERGY: 3630200 717.9895 2080.2185 1942.5413 103.2191 -206351.3846 17673.0134 0.0000 0.0000 34293.3991 -149541.0036 299.4928 -183834.4028 -149439.4290 298.5932 -138.7349 -103.4199 557715.1575 -8.7197 -8.4861 PRESSURE: 3630400 -103.59 218.277 -146.895 218.278 157.171 -48.8825 -146.894 -48.884 -71.1168 GPRESSURE: 3630400 -27.3582 291.047 -112.21 174.924 154.611 13.5366 -97.7123 -126.057 -51.5783 PRESSAVG: 3630400 -48.6131 52.6039 -20.0311 52.6039 5.65761 -11.3256 -20.0311 -11.3256 25.3609 GPRESSAVG: 3630400 -49.2805 52.1377 -21.3066 52.9649 5.75523 -11.7073 -20.0739 -11.0874 25.7625 TIMING: 3630400 CPU: 10870.4, 0.00308095/step Wall: 10870.4, 0.00308095/step, 1.17213 hours remaining, 206.457031 MB of memory in use. ENERGY: 3630400 729.2290 2108.1947 1938.0383 118.4901 -205994.4032 17721.8139 0.0000 0.0000 33979.6393 -149398.9979 296.7526 -183378.6372 -149305.4900 298.9944 -5.8452 25.2249 558412.7996 -5.8649 -5.9209 PRESSURE: 3630600 -193.617 95.849 -67.0591 95.8514 -86.0609 -132.613 -67.0592 -132.613 -53.6495 GPRESSURE: 3630600 -213.7 52.2075 15.5803 93.8015 -57.5892 -141.431 -92.1447 -11.3951 28.0159 PRESSAVG: 3630600 -88.2878 26.5194 -38.4919 26.5195 36.0477 12.9822 -38.4919 12.9824 3.43061 GPRESSAVG: 3630600 -88.761 26.8552 -39.3318 25.6404 36.3307 13.1399 -37.4614 12.4489 3.75193 TIMING: 3630600 CPU: 10871, 0.00310491/step Wall: 10871, 0.00310491/step, 1.18107 hours remaining, 206.457031 MB of memory in use. ENERGY: 3630600 776.8971 2139.8144 1953.6594 99.3876 -206399.3897 17791.3553 0.0000 0.0000 34360.8707 -149277.4052 300.0820 -183638.2759 -149188.6301 299.4893 -111.1092 -81.0911 556995.2012 -16.2698 -16.2261 PRESSURE: 3630800 41.8158 -20.5788 55.1939 -20.5784 202.921 65.7906 55.1943 65.7895 28.3951 GPRESSURE: 3630800 89.138 -132.506 50.8656 -50.324 213.075 120.128 86.322 72.1937 75.215 PRESSAVG: 3630800 16.1727 -5.17484 -78.89 -5.17487 -5.47789 50.7906 -78.89 50.7906 24.2907 GPRESSAVG: 3630800 16.2288 -5.25364 -78.0011 -5.16027 -5.47142 51.505 -78.7924 49.6991 25.2536 TIMING: 3630800 CPU: 10871.6, 0.00305383/step Wall: 10871.6, 0.00305383/step, 1.16148 hours remaining, 206.714844 MB of memory in use. ENERGY: 3630800 717.1117 2111.7883 1921.2835 116.4455 -206473.5341 17941.5582 0.0000 0.0000 34490.6689 -149174.6781 301.2156 -183665.3470 -149075.6535 299.5148 91.0441 125.8094 556289.7670 11.6618 12.0037 PRESSURE: 3631000 71.5379 27.1827 -88.2255 27.1835 -107.725 -50.0683 -88.2257 -50.0686 94.7754 GPRESSURE: 3631000 109.746 -18.7812 -25.7019 102.824 -118.3 -5.1685 -133.853 -119.234 168.428 PRESSAVG: 3631000 62.3331 -28.3361 -28.4283 -28.3361 -5.5368 -4.12769 -28.4283 -4.12771 4.1873 GPRESSAVG: 3631000 62.2933 -28.7507 -30.8674 -26.6584 -4.26999 -4.66387 -27.8379 -4.81539 3.13894 TIMING: 3631000 CPU: 10872.2, 0.00304418/step Wall: 10872.2, 0.00304418/step, 1.15763 hours remaining, 206.714844 MB of memory in use. ENERGY: 3631000 762.6060 2064.9009 1977.9087 130.5187 -206433.9576 18068.9924 0.0000 0.0000 34268.0815 -149160.9494 299.2717 -183429.0309 -149068.3795 299.7554 19.5295 53.2913 556791.5988 20.3279 20.3874 PRESSURE: 3631200 -155.03 -3.8665 -164.001 -3.86699 -57.8956 -53.4533 -164.001 -53.4536 -92.92 GPRESSURE: 3631200 -151.162 5.78137 -209.005 -7.7766 14.8524 -77.198 -152.881 48.4913 -63.1191 PRESSAVG: 3631200 -2.92886 -0.307149 -74.7335 -0.307184 -18.0214 35.8017 -74.7336 35.8016 3.1684 GPRESSAVG: 3631200 -1.76283 -0.353567 -71.9503 0.394678 -19.0255 34.0951 -75.5682 37.3718 2.86706 TIMING: 3631200 CPU: 10872.8, 0.0030741/step Wall: 10872.8, 0.0030741/step, 1.16884 hours remaining, 206.714844 MB of memory in use. ENERGY: 3631200 782.3168 2067.4711 1955.2481 106.3122 -206128.2960 17696.3764 0.0000 0.0000 34462.2210 -149058.3504 300.9671 -183520.5713 -148961.6383 299.5473 -101.9485 -66.4762 558240.7418 -5.9273 -5.9738 PRESSURE: 3631400 -259.084 111.356 -89.1178 111.354 -196.968 -99.4943 -89.1191 -99.4943 -143.25 GPRESSURE: 3631400 -216.48 201.967 -21.8625 12.078 -135.129 -107.988 -76.7863 -113.352 -157.945 PRESSAVG: 3631400 -34.3284 13.1945 -18.5013 13.1945 99.4766 49.6611 -18.5013 49.661 -39.5955 GPRESSAVG: 3631400 -34.038 13.2889 -20.8451 12.517 99.9356 51.7599 -17.6252 48.3105 -40.5122 TIMING: 3631400 CPU: 10873.4, 0.00306908/step Wall: 10873.4, 0.00306908/step, 1.16676 hours remaining, 206.714844 MB of memory in use. ENERGY: 3631400 750.1144 2091.7743 1960.6322 105.0214 -206000.6321 17570.5412 0.0000 0.0000 34293.9629 -149228.5858 299.4977 -183522.5488 -149133.7274 300.0953 -199.7673 -169.8511 557786.4167 8.5176 8.4618 PRESSURE: 3631600 89.027 7.56059 -10.2196 7.56097 46.0433 39.57 -10.2196 39.5683 1.49613 GPRESSURE: 3631600 118.779 32.3888 -56.7907 -50.1379 57.8195 34.5724 -1.94117 -24.4558 49.8758 PRESSAVG: 3631600 -19.5339 -0.0391131 -52.0741 -0.0390913 30.906 11.4177 -52.0742 11.4178 -5.73557 GPRESSAVG: 3631600 -19.9712 -0.359065 -50.6935 -1.59091 29.4282 11.5232 -51.0959 10.8758 -4.20295 TIMING: 3631600 CPU: 10874, 0.00307446/step Wall: 10874, 0.00307446/step, 1.16864 hours remaining, 206.714844 MB of memory in use. ENERGY: 3631600 712.7633 2149.8701 1972.7094 112.1499 -206179.9331 17807.6846 0.0000 0.0000 34175.4170 -149249.3387 298.4624 -183424.7558 -149147.0505 298.7884 45.5221 75.4914 556907.0188 1.8788 1.7514 PRESSURE: 3631800 -111.132 49.3685 -14.7017 49.3666 15.912 190.459 -14.7015 190.46 -138.086 GPRESSURE: 3631800 -81.2279 43.2446 68.8402 -12.9394 93.7018 280.043 -31.6855 227.574 -152.896 PRESSAVG: 3631800 -29.1534 41.1136 -40.7732 41.1137 51.3602 73.7279 -40.7732 73.728 -8.90503 GPRESSAVG: 3631800 -29.2389 43.2751 -40.8846 39.5886 51.8992 73.005 -42.5341 76.8659 -10.1882 TIMING: 3631800 CPU: 10874.7, 0.00305127/step Wall: 10874.7, 0.00305127/step, 1.15965 hours remaining, 206.714844 MB of memory in use. ENERGY: 3631800 761.3700 2113.2626 1920.4811 125.7579 -206411.5921 17934.8400 0.0000 0.0000 34155.5940 -149400.2864 298.2893 -183555.8804 -149303.7145 298.8929 -77.7687 -46.8074 558046.5192 4.4339 4.1574 PRESSURE: 3632000 12.8495 -51.4481 -123.527 -51.4474 -64.1335 -102.105 -123.528 -102.105 -104.063 GPRESSURE: 3632000 -20.6165 -10.6686 -98.1636 -80.3902 61.0472 -54.8058 -231.842 -74.2561 -102.962 PRESSAVG: 3632000 -55.9555 8.22003 -31.2142 8.21994 27.1246 -13.2484 -31.2141 -13.2484 19.4261 GPRESSAVG: 3632000 -56.0231 6.21554 -31.7159 10.5353 27.4423 -11.5708 -29.8632 -16.0392 19.0645 TIMING: 3632000 CPU: 10875.3, 0.00306426/step Wall: 10875.3, 0.00306426/step, 1.16442 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: 3632000 722.0131 2047.5636 1941.5889 104.8422 -206398.2106 17874.0287 0.0000 0.0000 34373.0329 -149335.1412 300.1882 -183708.1740 -149235.6627 298.2611 -51.7824 -20.8436 558227.7407 -3.1349 -3.1721 PRESSURE: 3632200 -143.271 -67.8989 159.396 -67.9014 272.571 193.213 159.397 193.211 101.798 GPRESSURE: 3632200 -96.8709 -130.798 106.536 -86.4925 299.99 216.281 229.393 176.54 121.557 PRESSAVG: 3632200 59.7294 -12.8478 -17.9693 -12.8479 -54.2556 -29.3113 -17.9693 -29.3114 5.19922 GPRESSAVG: 3632200 58.9897 -11.396 -20.0036 -13.5496 -53.7908 -30.1893 -17.2195 -26.9889 5.97912 TIMING: 3632200 CPU: 10875.9, 0.00303078/step Wall: 10875.9, 0.00303078/step, 1.15153 hours remaining, 206.714844 MB of memory in use. ENERGY: 3632200 743.5726 2087.7553 1929.9939 116.3224 -206551.5374 17936.8121 0.0000 0.0000 34396.1462 -149340.9350 300.3901 -183737.0811 -149246.0200 298.8631 77.0327 108.2253 556523.1956 3.5577 3.7260 LDB: ============= START OF LOAD BALANCING ============== 10879.3 LDB: ============== END OF LOAD BALANCING =============== 10879.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10879.3 LDB: ============= START OF LOAD BALANCING ============== 10879.6 LDB: Largest compute 4820 load 0.027674 is 23.4% of average load 0.118223 LDB: Average compute 0.001727 is 1.5% of average load 0.118223 LDB: TIME 10879.6 LOAD: AVG 0.118223 MAX 0.223034 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 10879.6 LOAD: AVG 0.118223 MAX 0.223034 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: TIME 10879.6 LOAD: AVG 0.118223 MAX 0.223034 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10879.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10879.6 PRESSURE: 3632400 -252.495 36.7193 41.7321 36.7178 -144.917 -105.902 41.7324 -105.903 105.393 GPRESSURE: 3632400 -174.269 69.747 93.1693 -59.0055 -130.166 -84.7043 -1.17649 -148.803 106.616 PRESSAVG: 3632400 -11.44 -8.66383 25.9904 -8.66377 -21.6778 -7.77491 25.9903 -7.77501 66.9913 GPRESSAVG: 3632400 -10.688 -9.28834 29.1298 -8.68478 -23.2769 -7.99443 23.899 -9.68211 67.8613 TIMING: 3632400 CPU: 10876.5, 0.00313696/step Wall: 10876.5, 0.00313696/step, 1.19169 hours remaining, 206.132812 MB of memory in use. ENERGY: 3632400 777.1765 2080.6165 1961.2329 121.2571 -206231.7417 17676.3302 0.0000 0.0000 34327.4408 -149287.6877 299.7901 -183615.1285 -149191.6156 299.1085 -97.3396 -65.9396 558570.2992 11.2912 11.2988 PRESSURE: 3632600 -0.23708 35.3195 -20.928 35.3199 70.1499 115.206 -20.9266 115.206 27.3479 GPRESSURE: 3632600 46.6608 17.235 -19.501 54.3034 106.814 100.067 -52.6226 109.707 36.3871 PRESSAVG: 3632600 1.30606 -18.3787 31.1919 -18.3787 -2.26117 13.662 31.192 13.6621 22.835 GPRESSAVG: 3632600 1.42312 -19.2923 28.5303 -17.5795 -1.38081 11.9257 32.4341 16.935 22.1015 TIMING: 3632600 CPU: 10877.1, 0.00308052/step Wall: 10877.1, 0.00308052/step, 1.17008 hours remaining, 206.132812 MB of memory in use. ENERGY: 3632600 762.4528 2121.5304 1940.8528 111.6447 -206892.4131 18071.2505 0.0000 0.0000 34450.3212 -149434.3605 300.8632 -183884.6818 -149337.4374 298.3660 32.4203 63.2873 558008.6015 7.2933 7.3813 PRESSURE: 3632800 -77.6129 -105.742 7.58752 -105.742 -176.395 -41.6305 7.58808 -41.6314 -202.735 GPRESSURE: 3632800 -47.4662 -64.3211 92.4173 -95.9897 -146.472 -48.8937 17.4494 -94.0602 -157.346 PRESSAVG: 3632800 32.9534 -20.7969 61.2518 -20.797 -1.72016 11.9584 61.2518 11.9583 -39.1285 GPRESSAVG: 3632800 33.0623 -20.1471 63.0155 -20.0137 -2.45131 12.7902 61.5275 10.1213 -38.4093 TIMING: 3632800 CPU: 10877.7, 0.00306052/step Wall: 10877.7, 0.00306052/step, 1.16232 hours remaining, 206.132812 MB of memory in use. ENERGY: 3632800 741.4340 2075.8553 1938.5942 124.6358 -206242.6442 17635.6488 0.0000 0.0000 34176.0275 -149550.4485 298.4677 -183726.4760 -149462.3335 298.8620 -152.2475 -117.0947 557358.8906 -2.6318 -2.5994 PRESSURE: 3633000 29.929 -169.047 24.377 -169.047 -22.5021 -26.8346 24.3774 -26.8343 163.78 GPRESSURE: 3633000 33.3214 -122.321 19.0762 -110.36 40.5902 -106.968 67.808 -17.752 190.748 PRESSAVG: 3633000 1.13487 -66.6097 37.7085 -66.6097 24.0574 -49.9682 37.7085 -49.9682 -25.2259 GPRESSAVG: 3633000 1.11079 -68.6453 38.1142 -65.8548 25.5657 -46.9233 37.9225 -52.2005 -26.8878 TIMING: 3633000 CPU: 10878.3, 0.00305194/step Wall: 10878.3, 0.00305194/step, 1.15889 hours remaining, 206.132812 MB of memory in use. ENERGY: 3633000 760.6746 2102.5740 1940.6586 111.4220 -206408.3636 17967.1227 0.0000 0.0000 33976.7015 -149549.2101 296.7270 -183525.9117 -149450.3272 298.0407 57.0691 88.2199 555357.6471 -0.0112 -0.0705 PRESSURE: 3633200 50.0459 -58.2243 6.86301 -58.226 384.862 -167.845 6.86363 -167.845 68.2891 GPRESSURE: 3633200 116.647 4.28135 26.1657 -68.471 423.249 -266.093 48.9939 -59.785 58.7275 PRESSAVG: 3633200 30.1427 -79.7284 -11.6599 -79.7284 -24.1624 12.4312 -11.6599 12.4312 19.3609 GPRESSAVG: 3633200 30.5483 -79.4354 -10.377 -80.8645 -24.3851 8.45507 -13.1209 15.3961 19.3918 TIMING: 3633200 CPU: 10878.9, 0.00304321/step Wall: 10878.9, 0.00304321/step, 1.15541 hours remaining, 206.132812 MB of memory in use. ENERGY: 3633200 734.6919 2067.3399 1961.5401 110.9161 -206649.1420 18186.3821 0.0000 0.0000 34224.7247 -149363.5472 298.8930 -183588.2719 -149261.0707 298.5151 167.7324 199.5411 556594.0287 8.4471 8.5183 PRESSURE: 3633400 -436.615 -90.8677 40.4517 -90.868 -63.3851 -58.9716 40.4521 -58.9719 -196.833 GPRESSURE: 3633400 -379.842 -94.0825 -10.4246 -81.0587 -34.908 -23.475 185.191 -105.758 -177.842 PRESSAVG: 3633400 56.3325 -40.1906 -10.5639 -40.1905 19.861 16.0974 -10.5641 16.0975 -60.8617 GPRESSAVG: 3633400 55.0842 -39.9665 -13.3668 -40.4997 20.8734 18.1784 -10.32 13.4832 -61.3908 TIMING: 3633400 CPU: 10879.6, 0.00304871/step Wall: 10879.6, 0.00304871/step, 1.15732 hours remaining, 206.132812 MB of memory in use. ENERGY: 3633400 749.9866 2092.9383 1953.8865 107.1833 -205686.6839 17288.0739 0.0000 0.0000 34316.4105 -149178.2049 299.6937 -183494.6154 -149074.6746 299.2067 -232.2778 -197.5307 557619.9037 5.1106 4.8556 PRESSURE: 3633600 -173.262 -72.897 -38.0392 -72.8967 -56.6059 126.493 -38.039 126.493 -207.383 GPRESSURE: 3633600 -168.401 -13.3105 -32.916 -159.486 3.45755 2.4236 -50.1656 223.46 -175.468 PRESSAVG: 3633600 -44.8303 -37.1684 -36.1036 -37.1683 29.885 36.0253 -36.1036 36.0252 -8.16092 GPRESSAVG: 3633600 -45.0284 -35.0336 -34.9479 -37.3734 28.943 35.6902 -35.1082 37.7304 -7.61275 TIMING: 3633600 CPU: 10880.2, 0.00303413/step Wall: 10880.2, 0.00303413/step, 1.15162 hours remaining, 206.132812 MB of memory in use. ENERGY: 3633600 758.5713 2141.7105 1919.6103 105.2648 -206134.6310 17614.2582 0.0000 0.0000 34416.0299 -149179.1861 300.5637 -183595.2160 -149090.6847 299.1415 -145.7502 -113.4705 554779.3776 -7.7021 -7.8994 PRESSURE: 3633800 -57.2735 239.8 -50.6915 239.801 -13.0748 -52.7744 -50.6906 -52.7748 -148.15 GPRESSURE: 3633800 -34.4481 196.948 -58.3951 326.619 36.273 0.445302 -58.7091 -121.508 -134.182 PRESSAVG: 3633800 18.4485 20.0631 -33.4263 20.0631 -6.69524 29.3594 -33.4263 29.3594 14.0895 GPRESSAVG: 3633800 18.1412 18.3343 -32.9894 20.6808 -5.84143 29.9525 -35.9942 28.1805 13.7152 TIMING: 3633800 CPU: 10880.8, 0.00305359/step Wall: 10880.8, 0.00305359/step, 1.15884 hours remaining, 206.335938 MB of memory in use. ENERGY: 3633800 732.7078 2167.0228 1908.4371 98.7732 -205980.8365 17689.3919 0.0000 0.0000 34371.7261 -149012.7776 300.1768 -183384.5037 -148912.9234 299.7823 -72.8329 -44.1190 558404.8317 8.6143 8.6717 PRESSURE: 3634000 -205.172 19.0892 -26.3436 19.0897 -87.8023 31.6939 -26.3447 31.6936 -363.658 GPRESSURE: 3634000 -155.783 41.0022 53.3689 27.5063 -88.3511 -43.8702 -51.717 150.457 -312.755 PRESSAVG: 3634000 45.5497 79.8487 -40.284 79.8486 10.1621 -7.20977 -40.284 -7.20964 -76.1943 GPRESSAVG: 3634000 45.3735 81.7585 -42.2052 77.1356 9.1719 -7.49795 -37.5398 -5.91246 -75.0578 TIMING: 3634000 CPU: 10881.4, 0.00304331/step Wall: 10881.4, 0.00304331/step, 1.15477 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: 3634000 752.5126 2172.4923 1940.2366 116.7845 -205723.6881 17527.0169 0.0000 0.0000 34194.0754 -149020.5698 298.6254 -183214.6452 -148928.4396 299.6503 -218.8775 -185.6295 559791.6888 -6.8275 -6.8375 PRESSURE: 3634200 -287.606 -13.3735 -105.533 -13.3733 92.8947 192.83 -105.531 192.831 -33.5961 GPRESSURE: 3634200 -320.74 32.4867 -84.4782 -12.8453 158.982 109.439 -147.404 225.405 22.8384 PRESSAVG: 3634200 -1.2779 26.2501 -6.46092 26.25 7.59787 26.8214 -6.46097 26.8214 38.2133 GPRESSAVG: 3634200 1.30569 26.9001 -3.96855 26.7876 5.80221 26.3178 -9.21219 26.7002 37.3863 TIMING: 3634200 CPU: 10882, 0.00304153/step Wall: 10882, 0.00304153/step, 1.15392 hours remaining, 206.335938 MB of memory in use. ENERGY: 3634200 776.0254 2105.0968 1953.9471 109.8615 -205928.2440 17794.4258 0.0000 0.0000 34296.3812 -148892.5062 299.5188 -183188.8874 -148796.9702 299.2867 -76.1025 -46.3066 559752.8525 14.8444 14.8314 PRESSURE: 3634400 -119.58 -39.7144 -15.1929 -39.714 202.484 54.3122 -15.1927 54.3114 -234.293 GPRESSURE: 3634400 -94.786 -34.8568 7.18916 4.4672 209.981 -8.00469 -14.9208 18.035 -188.907 PRESSAVG: 3634400 -38.0402 43.1025 51.595 43.1025 17.0154 -27.9206 51.5951 -27.9205 0.392713 GPRESSAVG: 3634400 -39.6137 41.8753 50.1406 45.6176 19.0275 -27.2346 55.3247 -28.0017 0.0152446 TIMING: 3634400 CPU: 10882.6, 0.00305421/step Wall: 10882.6, 0.00305421/step, 1.15856 hours remaining, 206.335938 MB of memory in use. ENERGY: 3634400 742.8671 2131.0462 1943.8524 104.2179 -206024.5273 17890.0160 0.0000 0.0000 34294.2693 -148918.2585 299.5004 -183212.5278 -148828.3961 299.9305 -50.4629 -24.5706 558498.1304 -6.8774 -6.8570 PRESSURE: 3634600 -122.559 97.5108 -158.225 97.5112 -294.614 -25.0385 -158.223 -25.0376 151.421 GPRESSURE: 3634600 -38.6394 150.132 -201.809 62.5897 -265.886 39.7313 -175.549 -53.1541 128.503 PRESSAVG: 3634600 2.85327 -18.2652 -5.14564 -18.2651 2.1084 27.1632 -5.14563 27.1631 26.2461 GPRESSAVG: 3634600 3.58331 -18.2686 -6.69891 -19.4914 1.2412 28.0595 -7.61872 26.2688 26.7567 TIMING: 3634600 CPU: 10883.2, 0.00303785/step Wall: 10883.2, 0.00303785/step, 1.15219 hours remaining, 206.335938 MB of memory in use. ENERGY: 3634600 725.6882 2120.3211 1954.2181 129.2727 -206168.3910 17779.5213 0.0000 0.0000 34425.4006 -149033.9690 300.6456 -183459.3696 -148939.5776 299.5643 -88.5838 -58.6743 559680.3226 10.4026 10.5271 PRESSURE: 3634800 89.4784 57.8721 -164.352 57.8729 197.149 104.847 -164.353 104.847 21.2145 GPRESSURE: 3634800 151.076 35.5444 -146.999 43.5591 209.392 137.309 -171.808 107.955 45.7928 PRESSAVG: 3634800 15.5302 3.89935 -53.2261 3.89929 -36.3275 -12.5251 -53.2261 -12.5251 5.5311 GPRESSAVG: 3634800 15.9983 5.04322 -49.3815 3.10337 -35.9776 -12.8104 -54.3619 -12.2242 4.72415 TIMING: 3634800 CPU: 10883.8, 0.00304517/step Wall: 10883.8, 0.00304517/step, 1.15479 hours remaining, 206.335938 MB of memory in use. ENERGY: 3634800 748.6243 2097.6013 1917.9632 103.3052 -206311.1191 17986.8786 0.0000 0.0000 34145.0227 -149311.7237 298.1970 -183456.7464 -149214.2665 298.9825 102.6141 135.4202 558520.3108 -5.0887 -5.0850 PRESSURE: 3635000 -141.315 144.591 -232.896 144.592 -343.526 57.3396 -232.897 57.337 -208.369 GPRESSURE: 3635000 -135.331 120.542 -269.921 134.86 -226.881 9.01204 -173.12 78.7323 -226.923 PRESSAVG: 3635000 36.8666 52.0894 11.4393 52.0893 -24.1739 14.9396 11.4393 14.9397 5.97558 GPRESSAVG: 3635000 36.8507 49.9674 11.5933 51.4736 -24.3604 13.9073 11.052 16.1319 6.28995 TIMING: 3635000 CPU: 10884.4, 0.00306512/step Wall: 10884.4, 0.00306512/step, 1.16219 hours remaining, 206.335938 MB of memory in use. ENERGY: 3635000 732.0807 2040.4010 1937.6820 135.2740 -205938.2706 17491.8742 0.0000 0.0000 34237.0498 -149363.9090 299.0007 -183600.9587 -149257.4894 298.9916 -231.0701 -196.3785 558854.0982 6.2227 6.2601 PRESSURE: 3635200 -107.88 0.0688886 -10.0451 0.0684084 20.9257 15.5388 -10.0449 15.5389 -174.938 GPRESSURE: 3635200 -50.0945 -60.4842 29.6989 100.648 36.1305 57.758 -29.8706 16.9437 -152.308 PRESSAVG: 3635200 -41.7868 -5.38589 -32.2217 -5.38594 19.1029 -1.02355 -32.2217 -1.02364 27.1455 GPRESSAVG: 3635200 -41.8131 -4.19151 -34.5022 -5.10384 19.1719 -0.77733 -31.2322 -2.87876 27.1777 TIMING: 3635200 CPU: 10885, 0.00306321/step Wall: 10885, 0.00306321/step, 1.1613 hours remaining, 206.335938 MB of memory in use. ENERGY: 3635200 754.0343 2024.7170 1975.5572 112.1576 -206079.4140 17786.8045 0.0000 0.0000 34258.3239 -149167.8194 299.1865 -183426.1433 -149069.4120 299.4758 -87.2976 -55.4241 559083.4906 1.4872 1.5122 PRESSURE: 3635400 50.1686 -87.1974 -73.0135 -87.197 -182.004 -237.11 -73.0146 -237.111 93.1251 GPRESSURE: 3635400 72.0501 -95.2029 -9.33866 -99.1199 -93.8968 -248.674 -149.101 -229.427 85.8411 PRESSAVG: 3635400 -56.0559 7.91642 17.4371 7.91638 53.6536 -15.0382 17.4371 -15.0382 8.4499 GPRESSAVG: 3635400 -57.2306 7.75708 13.861 8.98519 54.8456 -14.1437 18.978 -13.2042 8.28929 TIMING: 3635400 CPU: 10885.7, 0.00307342/step Wall: 10885.7, 0.00307342/step, 1.165 hours remaining, 206.335938 MB of memory in use. ENERGY: 3635400 782.9704 2069.5929 1953.9814 119.9741 -206508.7763 17864.9849 0.0000 0.0000 34558.4127 -149158.8597 301.8072 -183717.2724 -149060.8086 299.1640 -12.9036 21.3315 556768.7955 2.0159 1.9681 PRESSURE: 3635600 -286.903 163.732 -9.25184 163.732 101.365 -1.06321 -9.25211 -1.06305 28.9248 GPRESSURE: 3635600 -282.01 64.8139 -14.4456 194.953 114.68 -23.6844 -57.0816 77.6907 103.432 PRESSAVG: 3635600 -27.2929 9.8131 32.8582 9.81315 -57.7639 -9.06128 32.8583 -9.06121 74.7628 GPRESSAVG: 3635600 -26.6499 8.60169 36.0211 10.5528 -58.8053 -9.29464 31.8224 -9.8854 75.1239 TIMING: 3635600 CPU: 10886.3, 0.00305678/step Wall: 10886.3, 0.00305678/step, 1.15852 hours remaining, 206.335938 MB of memory in use. ENERGY: 3635600 761.3595 2046.2079 1929.7855 126.1699 -205641.4545 17584.7783 0.0000 0.0000 34160.6978 -149032.4555 298.3339 -183193.1534 -148923.8306 299.4172 -52.2041 -21.2992 558569.0059 -3.4314 -3.4438 PRESSURE: 3635800 89.2219 35.0356 -185.738 35.0363 -193.574 -31.1095 -185.739 -31.1095 -251.844 GPRESSURE: 3635800 121.968 23.0414 -147.316 -43.4664 -156.301 -15.925 -271.632 -27.7708 -215.164 PRESSAVG: 3635800 -32.4266 3.79581 -71.722 3.79589 -11.9557 -3.18301 -71.722 -3.18291 27.2163 GPRESSAVG: 3635800 -31.6981 5.318 -70.7312 1.04785 -12.3421 -1.70528 -73.4789 -4.83618 26.4764 TIMING: 3635800 CPU: 10886.9, 0.0030439/step Wall: 10886.9, 0.0030439/step, 1.15347 hours remaining, 206.335938 MB of memory in use. ENERGY: 3635800 722.5478 2120.4944 1940.0858 123.4089 -205847.5917 17512.7957 0.0000 0.0000 34469.2945 -148958.9647 301.0289 -183428.2592 -148859.7519 299.8666 -118.7321 -83.1658 556713.9133 -5.7220 -5.8546 PRESSURE: 3636000 -242.077 -30.833 65.5114 -30.8316 59.9484 57.0745 65.5106 57.0762 -102.065 GPRESSURE: 3636000 -175.512 -31.7184 -1.89476 22.7299 41.8892 133.763 10.4925 26.2212 -47.5255 PRESSAVG: 3636000 -17.9582 13.1557 -41.8779 13.1555 48.1626 6.0985 -41.878 6.09843 -4.69532 GPRESSAVG: 3636000 -17.6398 12.5087 -41.2763 15.2352 48.4514 5.03113 -41.8089 6.393 -5.35045 TIMING: 3636000 CPU: 10887.5, 0.00304617/step Wall: 10887.5, 0.00304617/step, 1.15416 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: 3636000 728.0261 2120.5083 1965.4500 115.8377 -205802.3475 17321.1343 0.0000 0.0000 34743.3780 -148808.0131 303.4226 -183551.3911 -148706.5151 300.8473 -94.7312 -60.3829 557731.3221 8.5030 8.4871 PRESSURE: 3636200 193.616 -4.80466 43.0649 -4.80565 -77.8156 53.659 43.0654 53.6571 148.47 GPRESSURE: 3636200 225.997 4.31316 59.0338 22.748 30.8978 130.657 11.0519 5.15644 102.85 PRESSAVG: 3636200 -29.7823 16.1974 45.275 16.1974 0.174794 43.8657 45.275 43.8659 73.0481 GPRESSAVG: 3636200 -30.5344 17.1715 42.2903 14.1269 0.340883 44.0783 45.2542 45.4207 73.5613 TIMING: 3636200 CPU: 10888.1, 0.00303833/step Wall: 10888.1, 0.00303833/step, 1.15102 hours remaining, 206.335938 MB of memory in use. ENERGY: 3636200 722.0359 2087.9650 1946.3778 105.6979 -206166.9437 17882.5954 0.0000 0.0000 34343.8467 -149078.4251 299.9334 -183422.2718 -148976.0511 301.0757 88.0901 119.9149 556310.4171 14.4802 14.4559 LDB: ============= START OF LOAD BALANCING ============== 10891.5 LDB: ============== END OF LOAD BALANCING =============== 10891.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10891.5 LDB: ============= START OF LOAD BALANCING ============== 10891.8 LDB: Largest compute 4820 load 0.028694 is 24.3% of average load 0.118093 LDB: Average compute 0.001729 is 1.5% of average load 0.118093 LDB: TIME 10891.8 LOAD: AVG 0.118093 MAX 0.219785 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 10891.8 LOAD: AVG 0.118093 MAX 0.219785 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.359 MB LDB: TIME 10891.8 LOAD: AVG 0.118093 MAX 0.219785 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.359 MB LDB: ============== END OF LOAD BALANCING =============== 10891.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10891.8 PRESSURE: 3636400 78.1572 -67.408 42.2398 -67.409 28.7153 -138.162 42.2404 -138.163 105.269 GPRESSURE: 3636400 176.825 -83.1568 -17.9838 -46.2613 -56.1698 -119.634 78.2213 -121.903 196.207 PRESSAVG: 3636400 -14.7953 -6.36997 3.87866 -6.36997 -21.1791 15.9369 3.8786 15.9369 24.9836 GPRESSAVG: 3636400 -14.624 -8.0359 4.22895 -4.62205 -21.5624 13.0797 4.11308 16.6054 24.9324 TIMING: 3636400 CPU: 10888.7, 0.00309887/step Wall: 10888.7, 0.00309887/step, 1.17378 hours remaining, 206.714844 MB of memory in use. ENERGY: 3636400 741.6838 2069.8560 1953.0558 114.9100 -206393.7211 17925.1108 0.0000 0.0000 34220.5762 -149368.5285 298.8568 -183589.1046 -149274.9913 299.8563 70.7140 105.6206 556399.1457 -3.6636 -3.7513 PRESSURE: 3636600 22.7219 32.6772 131.228 32.6779 178.383 -71.4854 131.227 -71.4862 150.569 GPRESSURE: 3636600 43.8939 -57.6949 142.487 81.48 238.489 -47.3871 124.612 -121.888 154.001 PRESSAVG: 3636600 -51.7599 -6.72654 -14.8777 -6.72637 24.4896 19.7245 -14.8776 19.7246 24.04 GPRESSAVG: 3636600 -52.642 -6.02364 -13.4373 -7.10614 25.3419 21.9881 -14.5502 17.8784 23.7119 TIMING: 3636600 CPU: 10889.3, 0.00303014/step Wall: 10889.3, 0.00303014/step, 1.14758 hours remaining, 206.917969 MB of memory in use. ENERGY: 3636600 727.7106 2040.9837 1960.8596 107.8864 -206318.4496 17896.2949 0.0000 0.0000 34143.3138 -149441.4005 298.1821 -183584.7143 -149340.1901 298.8034 117.2246 145.4613 556905.4885 -1.0768 -1.1961 PRESSURE: 3636800 -117.344 -92.2011 -53.1987 -92.2024 133.881 -24.6011 -53.1981 -24.6 -179.558 GPRESSURE: 3636800 -121.846 -71.8074 -58.2584 -139.365 205.297 -84.8589 -129.195 12.072 -155.56 PRESSAVG: 3636800 -29.7778 54.6907 -11.455 54.6906 61.4489 -29.4528 -11.455 -29.453 -42.9196 GPRESSAVG: 3636800 -29.7949 55.5165 -12.2094 52.5253 61.2639 -29.5805 -10.4941 -29.1735 -42.3894 TIMING: 3636800 CPU: 10889.9, 0.00306387/step Wall: 10889.9, 0.00306387/step, 1.16018 hours remaining, 206.917969 MB of memory in use. ENERGY: 3636800 744.6786 2083.6444 1924.8346 111.2024 -206517.4177 17869.6206 0.0000 0.0000 34232.3456 -149551.0915 298.9596 -183783.4370 -149451.5806 297.8654 -54.3403 -24.0364 556586.9256 -3.7495 -3.6401 PRESSURE: 3637000 -0.49524 -14.4953 -5.65853 -14.4973 -137.122 -0.852994 -5.65796 -0.852079 -162.303 GPRESSURE: 3637000 26.9341 30.8993 39.558 14.5823 -103.319 -47.8493 -93.001 -34.6211 -137.716 PRESSAVG: 3637000 19.3701 -17.1051 -15.6652 -17.1053 72.2332 -9.05235 -15.6651 -9.05232 -87.6231 GPRESSAVG: 3637000 19.1842 -18.0707 -16.0964 -13.9624 72.3355 -10.584 -16.3091 -10.5735 -87.111 TIMING: 3637000 CPU: 10890.5, 0.00306243/step Wall: 10890.5, 0.00306243/step, 1.15947 hours remaining, 206.917969 MB of memory in use. ENERGY: 3637000 732.5291 2077.0852 1956.7370 110.1388 -206099.5185 17701.6521 0.0000 0.0000 34154.4842 -149366.8921 298.2796 -183521.3763 -149266.9596 298.5774 -99.9734 -71.3670 557008.3941 1.3267 1.4696 PRESSURE: 3637200 -171.109 283.995 85.1479 283.995 -311.768 32.6394 85.1474 32.6389 -149.327 GPRESSURE: 3637200 -74.3461 331.071 10.5161 215.362 -328.961 108.559 66.8634 14.6082 -140.587 PRESSAVG: 3637200 31.4794 41.4904 -20.7332 41.4905 74.5735 -5.04355 -20.7332 -5.04339 -107.847 GPRESSAVG: 3637200 32.3218 42.224 -20.2671 37.8519 73.9511 -4.74957 -20.9997 -0.220875 -107.712 TIMING: 3637200 CPU: 10891.2, 0.00306467/step Wall: 10891.2, 0.00306467/step, 1.16015 hours remaining, 206.917969 MB of memory in use. ENERGY: 3637200 753.7284 2063.3847 1964.1435 98.4330 -206016.4716 17526.4685 0.0000 0.0000 34136.2293 -149474.0842 298.1202 -183610.3136 -149379.7504 298.6884 -210.7346 -181.2977 557898.4939 -0.5979 -0.4797 PRESSURE: 3637400 191.861 -159.793 17.4587 -159.793 83.6498 -101.534 17.4585 -101.535 -84.7755 GPRESSURE: 3637400 218.283 -121.395 2.81479 -142.768 132.134 -117.589 6.01423 -73.7555 -70.4994 PRESSAVG: 3637400 23.1036 -7.81587 -67.8832 -7.81587 -3.16835 -22.5234 -67.8832 -22.5234 -22.7667 GPRESSAVG: 3637400 22.9778 -8.19789 -66.4762 -7.41912 -2.96581 -23.8186 -68.7464 -24.3322 -22.4438 TIMING: 3637400 CPU: 10891.8, 0.00306182/step Wall: 10891.8, 0.00306182/step, 1.1589 hours remaining, 206.917969 MB of memory in use. ENERGY: 3637400 760.5471 2062.2018 1961.0975 100.1361 -206260.1923 17820.8484 0.0000 0.0000 34166.5182 -149388.8431 298.3847 -183555.3613 -149295.0092 298.5807 63.5786 93.3059 556646.8321 -0.9438 -0.8106 PRESSURE: 3637600 59.856 -92.4591 92.4108 -92.4591 -61.2063 -124.145 92.4089 -124.144 -178.199 GPRESSURE: 3637600 48.2895 -133.776 60.8839 -103.412 -32.9859 -155.759 162.097 -115.588 -96.2433 PRESSAVG: 3637600 31.4003 -36.9353 1.02499 -36.9353 9.66849 -34.563 1.02508 -34.563 -45.431 GPRESSAVG: 3637600 31.431 -35.0731 1.56687 -35.6251 9.7551 -33.1508 0.667053 -35.4099 -45.7048 TIMING: 3637600 CPU: 10892.4, 0.00305715/step Wall: 10892.4, 0.00305715/step, 1.15696 hours remaining, 206.917969 MB of memory in use. ENERGY: 3637600 738.6251 2037.5546 1965.0662 114.3869 -206599.2891 17892.3153 0.0000 0.0000 34345.3628 -149505.9781 299.9466 -183851.3409 -149416.0696 298.1495 -59.8496 -26.9799 558647.4449 -1.4541 -1.5062 PRESSURE: 3637800 -216.594 -92.8247 24.3599 -92.8245 -134.038 -8.26401 24.3602 -8.26468 -58.2051 GPRESSURE: 3637800 -214.334 -92.0478 -10.9175 -111.606 -87.8469 -30.2774 -76.1676 7.87129 -0.639863 PRESSAVG: 3637800 -2.92317 -28.1292 9.89523 -28.1293 -49.3547 24.5531 9.89542 24.553 -5.65834 GPRESSAVG: 3637800 -3.57943 -29.7431 5.84895 -27.9127 -50.6528 24.3479 10.4255 25.0391 -3.55599 TIMING: 3637800 CPU: 10893, 0.00304822/step Wall: 10893, 0.00304822/step, 1.15341 hours remaining, 206.917969 MB of memory in use. ENERGY: 3637800 740.9421 2085.4322 1967.1758 128.7453 -205940.7684 17632.7524 0.0000 0.0000 34108.9757 -149276.7448 297.8822 -183385.7205 -149179.8989 298.9138 -136.2789 -100.9404 558687.3400 -19.3121 -19.2627 PRESSURE: 3638000 -259.676 -31.1017 -89.9758 -31.1028 -217.942 29.2009 -89.9756 29.2016 -404.071 GPRESSURE: 3638000 -202.074 28.7257 -107.762 -85.3032 -240.292 52.0327 -86.6539 -16.8233 -343.742 PRESSAVG: 3638000 22.5119 -19.4811 26.6818 -19.4811 -49.5882 11.7655 26.6819 11.7655 2.15451 GPRESSAVG: 3638000 23.9492 -21.745 29.6478 -18.8227 -48.6915 10.8673 26.6136 11.8244 -0.630105 TIMING: 3638000 CPU: 10893.6, 0.00303906/step Wall: 10893.6, 0.00303906/step, 1.14978 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: 3638000 749.8386 2055.8593 1940.4225 117.7077 -206009.3543 17445.3521 0.0000 0.0000 34306.6174 -149393.5568 299.6082 -183700.1742 -149294.9388 298.8227 -293.8964 -262.0362 558619.9630 -8.3073 -8.4575 PRESSURE: 3638200 -47.2393 -24.2103 -37.281 -24.2106 13.4047 -70.88 -37.2824 -70.8788 96.1009 GPRESSURE: 3638200 -10.6093 2.9865 -28.7439 56.148 69.9015 -37.6846 -126.344 -77.7862 68.6968 PRESSAVG: 3638200 98.3027 -16.4912 33.5973 -16.4912 -51.9916 36.7922 33.5973 36.7922 -52.5479 GPRESSAVG: 3638200 97.3645 -16.1779 32.9144 -16.2127 -51.4789 39.1809 33.7653 35.4776 -52.2722 TIMING: 3638200 CPU: 10894.2, 0.00304019/step Wall: 10894.2, 0.00304019/step, 1.15004 hours remaining, 206.917969 MB of memory in use. ENERGY: 3638200 714.9426 2101.7842 1936.9789 100.0908 -206106.4602 17770.2805 0.0000 0.0000 34352.0943 -149130.2890 300.0054 -183482.3833 -149030.9339 299.6739 20.7554 42.6630 557653.4848 -2.0789 -2.1289 PRESSURE: 3638400 -214.753 79.473 -279.582 79.4733 69.3851 -119.485 -279.581 -119.484 -64.4418 GPRESSURE: 3638400 -231.332 123.383 -217.733 38.4014 124.663 -146.163 -195.598 -75.9084 -12.5704 PRESSAVG: 3638400 29.5073 -16.7904 32.6722 -16.7904 -40.6477 -64.8906 32.6722 -64.8905 6.60635 GPRESSAVG: 3638400 28.7126 -14.5385 32.8462 -17.7101 -39.6733 -66.1616 31.5217 -65.5703 6.52241 TIMING: 3638400 CPU: 10894.8, 0.00305965/step Wall: 10894.8, 0.00305965/step, 1.15723 hours remaining, 206.917969 MB of memory in use. ENERGY: 3638400 716.1958 2107.7913 1943.4597 115.3043 -206000.2212 17704.8357 0.0000 0.0000 34203.3947 -149209.2397 298.7068 -183412.6344 -149113.3448 298.8219 -69.9366 -39.7463 559594.3188 -1.5113 -1.4794 PRESSURE: 3638600 -241.952 -18.4852 -115.866 -18.4847 -101.372 -30.0081 -115.865 -30.0074 9.01944 GPRESSURE: 3638600 -156.992 -85.8487 -155.086 54.1531 -80.8169 -72.8401 -85.0446 55.797 11.7582 PRESSAVG: 3638600 72.8378 -1.03997 3.6589 -1.03996 -81.5776 -41.9278 3.65895 -41.9279 25.943 GPRESSAVG: 3638600 73.6589 -2.35717 3.17775 -1.21084 -83.1958 -41.778 3.88035 -40.0102 26.7507 TIMING: 3638600 CPU: 10895.4, 0.00308256/step Wall: 10895.4, 0.00308256/step, 1.16572 hours remaining, 206.917969 MB of memory in use. ENERGY: 3638600 756.6165 2085.8148 1965.8772 103.3050 -206565.8218 18001.7693 0.0000 0.0000 34189.5677 -149462.8713 298.5860 -183652.4390 -149371.0382 298.4736 -111.4350 -75.3504 558447.8260 5.7344 5.7380 PRESSURE: 3638800 -211.514 168.247 69.8778 168.247 -259.056 51.6371 69.8776 51.6357 -117.694 GPRESSURE: 3638800 -148.749 324.929 76.2361 80.6865 -257.725 130.809 73.4362 35.8314 -92.0053 PRESSAVG: 3638800 -16.9295 38.453 4.51193 38.453 19.8411 -10.347 4.51201 -10.347 -13.5323 GPRESSAVG: 3638800 -16.3886 39.0824 4.36438 38.7788 19.7188 -10.7461 7.41545 -9.74165 -13.5106 TIMING: 3638800 CPU: 10896, 0.00305718/step Wall: 10896, 0.00305718/step, 1.15595 hours remaining, 206.917969 MB of memory in use. ENERGY: 3638800 741.8964 2078.7854 1954.9389 106.0252 -206306.8416 17760.9314 0.0000 0.0000 34187.4778 -149476.7865 298.5677 -183664.2643 -149377.6762 297.9602 -196.0882 -166.1596 560098.1915 -3.5403 -3.3935 PRESSURE: 3639000 -247.015 8.23823 -56.4616 8.23873 -44.2202 -32.121 -56.4602 -32.1191 -220.348 GPRESSURE: 3639000 -221.469 -18.2301 -44.9265 106.628 -2.3032 -82.1031 -69.993 -21.8612 -177.164 PRESSAVG: 3639000 16.638 26.3432 12.5775 26.3433 -15.1997 15.6136 12.5775 15.6136 -15.0268 GPRESSAVG: 3639000 17.0063 26.4745 11.8901 26.5838 -14.1658 17.7056 12.6981 14.8983 -16.2174 TIMING: 3639000 CPU: 10896.7, 0.00308303/step Wall: 10896.7, 0.00308303/step, 1.16555 hours remaining, 206.917969 MB of memory in use. ENERGY: 3639000 776.2807 2066.2328 1953.8839 127.7510 -206492.3906 17860.3876 0.0000 0.0000 34158.9101 -149548.9445 298.3183 -183707.8546 -149452.0851 298.3386 -170.5278 -133.6453 559134.1075 -4.5295 -4.4590 PRESSURE: 3639200 80.7391 81.2612 78.6293 81.2623 -62.5629 -198.72 78.6299 -198.719 36.9853 GPRESSURE: 3639200 105.887 119.816 73.9496 43.3491 -25.6395 -263.125 83.4608 -143.658 74.0412 PRESSAVG: 3639200 -11.4934 -39.5655 10.7817 -39.5655 52.3857 -48.0716 10.7818 -48.0716 1.5335 GPRESSAVG: 3639200 -12.785 -40.5282 14.0436 -40.2601 52.8115 -50.487 9.51086 -47.8799 2.8462 TIMING: 3639200 CPU: 10897.3, 0.00306867/step Wall: 10897.3, 0.00306867/step, 1.15996 hours remaining, 206.917969 MB of memory in use. ENERGY: 3639200 770.9583 2039.2442 1945.8960 113.8870 -206624.7085 18078.4337 0.0000 0.0000 34102.1559 -149574.1334 297.8226 -183676.2893 -149480.0387 298.3017 18.3872 51.4294 557591.0791 14.1419 14.2909 PRESSURE: 3639400 -88.6939 -148.566 38.1892 -148.567 -21.7013 62.905 38.189 62.9052 42.4082 GPRESSURE: 3639400 -57.1993 -135.173 -6.69477 -87.1326 -37.096 129.452 42.8109 31.0031 109.214 PRESSAVG: 3639400 -101.068 -19.1862 34.9976 -19.1861 40.3343 -32.7283 34.9975 -32.7284 7.72715 GPRESSAVG: 3639400 -102.026 -18.775 37.6354 -18.4446 40.4542 -31.9089 32.5342 -33.3344 8.15783 TIMING: 3639400 CPU: 10897.9, 0.00301648/step Wall: 10897.9, 0.00301648/step, 1.14006 hours remaining, 206.917969 MB of memory in use. ENERGY: 3639400 732.6584 2040.5200 1953.9540 116.3966 -206128.4913 17704.1833 0.0000 0.0000 34053.3986 -149527.3804 297.3968 -183580.7790 -149433.6444 297.9686 -22.6623 4.9729 557462.4229 -17.6689 -17.8048 PRESSURE: 3639600 303.781 -100.589 50.7633 -100.588 203.894 52.9295 50.7635 52.9295 220.172 GPRESSURE: 3639600 317.269 -153.079 74.3067 -127.362 236.348 -21.778 31.9244 59.9671 261.357 PRESSAVG: 3639600 -89.869 -14.9301 -16.7256 -14.9301 30.7509 -25.5642 -16.7256 -25.5642 34.8531 GPRESSAVG: 3639600 -88.6486 -14.4409 -21.6213 -15.3245 30.4092 -27.3635 -13.236 -23.6921 33.8884 TIMING: 3639600 CPU: 10898.5, 0.00302896/step Wall: 10898.5, 0.00302896/step, 1.14461 hours remaining, 206.917969 MB of memory in use. ENERGY: 3639600 695.4444 2103.7818 1921.1226 118.5795 -206332.8767 18102.6172 0.0000 0.0000 33783.7560 -149607.5752 295.0419 -183391.3312 -149521.2439 296.9723 242.6158 271.6581 556415.2542 -8.0883 -8.1170 PRESSURE: 3639800 -58.2621 99.6632 9.54948 99.6636 -193.229 167.872 9.54931 167.87 -88.2581 GPRESSURE: 3639800 -18.8019 123.075 -51.5395 65.968 -170.2 287.068 7.68638 69.6983 -60.5994 PRESSAVG: 3639800 -30.0925 14.1898 -22.3483 14.1897 49.5577 13.3849 -22.3483 13.3848 11.0826 GPRESSAVG: 3639800 -29.0136 13.4681 -23.9363 13.2649 48.3792 14.2601 -22.7509 12.5357 10.9715 TIMING: 3639800 CPU: 10899.1, 0.00307124/step Wall: 10899.1, 0.00307124/step, 1.16042 hours remaining, 206.917969 MB of memory in use. ENERGY: 3639800 786.7068 2100.1216 1945.5171 114.5532 -206220.0558 17716.6165 0.0000 0.0000 34151.2364 -149405.3043 298.2512 -183556.5407 -149314.1447 298.2845 -113.2498 -83.2004 557131.4319 10.1826 10.1124 PRESSURE: 3640000 -282.456 24.0283 -26.0259 24.028 -203.613 137.041 -26.0284 137.039 -164.883 GPRESSURE: 3640000 -256.057 5.95986 30.6175 15.2813 -200.681 115.458 -70.0695 163.647 -106.104 PRESSAVG: 3640000 26.2828 92.7384 9.22302 92.7385 2.68962 15.0238 9.22288 15.0239 -44.7896 GPRESSAVG: 3640000 25.5218 91.0421 9.39912 95.1208 2.07128 14.8836 9.65318 15.698 -43.464 TIMING: 3640000 CPU: 10899.7, 0.00301433/step Wall: 10899.7, 0.00301433/step, 1.13875 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: 3640000 765.4441 2118.5352 1933.5884 113.1027 -206253.7198 17559.9794 0.0000 0.0000 34354.4594 -149408.6106 300.0260 -183763.0700 -149309.2630 298.3047 -216.9838 -187.6138 558909.6883 -5.2724 -5.2903 PRESSURE: 3640200 -70.6927 25.9152 92.1041 25.9159 -160.071 -136.052 92.1044 -136.053 -29.4447 GPRESSURE: 3640200 -6.70248 85.8718 32.2772 117.357 -137.253 -69.0941 48.6926 -166.37 -30.1766 PRESSAVG: 3640200 -16.0059 -44.0397 3.20174 -44.0397 16.0586 8.71421 3.20162 8.71419 33.5144 GPRESSAVG: 3640200 -16.452 -42.6798 5.19389 -46.2715 16.6728 10.0227 -0.110744 7.78071 33.2725 TIMING: 3640200 CPU: 10900.3, 0.00304482/step Wall: 10900.3, 0.00304482/step, 1.1501 hours remaining, 206.988281 MB of memory in use. ENERGY: 3640200 762.6706 2124.3231 1935.9131 114.5045 -206147.8740 17737.5850 0.0000 0.0000 34309.5094 -149163.3683 299.6335 -183472.8777 -149065.4764 298.9259 -86.7363 -58.0442 558572.3524 11.1890 11.1645 LDB: ============= START OF LOAD BALANCING ============== 10903.7 LDB: ============== END OF LOAD BALANCING =============== 10903.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10903.7 LDB: ============= START OF LOAD BALANCING ============== 10904.1 LDB: Largest compute 4820 load 0.027633 is 23.4% of average load 0.118184 LDB: Average compute 0.001725 is 1.5% of average load 0.118184 LDB: TIME 10904.1 LOAD: AVG 0.118184 MAX 0.225435 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.262 MB LDB: TIME 10904.1 LOAD: AVG 0.118184 MAX 0.225435 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.27 MB LDB: TIME 10904.1 LOAD: AVG 0.118184 MAX 0.225435 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.27 MB LDB: ============== END OF LOAD BALANCING =============== 10904.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10904.1 PRESSURE: 3640400 33.2965 -121.341 -6.30333 -121.342 -117.468 -13.1348 -6.30234 -13.1342 -161.317 GPRESSURE: 3640400 69.4297 -241.333 -67.7427 -40.218 -92.5731 26.2439 32.1822 -67.3445 -139.316 PRESSAVG: 3640400 29.6408 -65.8847 53.2186 -65.8846 3.88015 16.4347 53.2186 16.4348 22.6817 GPRESSAVG: 3640400 30.0428 -67.9434 51.7846 -65.2279 3.78909 16.6191 55.376 14.1587 22.3156 TIMING: 3640400 CPU: 10900.9, 0.00312622/step Wall: 10900.9, 0.00312622/step, 1.18067 hours remaining, 205.433594 MB of memory in use. ENERGY: 3640400 769.2787 2079.3800 1971.7902 106.9041 -206382.4108 17969.9535 0.0000 0.0000 34296.0540 -149189.0502 299.5160 -183485.1042 -149085.7960 299.6170 -81.8298 -54.1532 559386.6040 18.7342 18.7158 PRESSURE: 3640600 -142.333 15.8374 106.133 15.838 36.4032 -89.1199 106.134 -89.1179 153.297 GPRESSURE: 3640600 -96.3568 16.6758 63.7068 -18.4566 31.5802 -117.248 86.3976 -18.1137 211.253 PRESSAVG: 3640600 -7.82797 -37.9743 9.7495 -37.9743 -2.28112 35.0829 9.74958 35.0828 32.8786 GPRESSAVG: 3640600 -9.04069 -38.4673 9.98084 -37.3148 -1.1721 34.9366 9.79861 35.8429 32.5825 TIMING: 3640600 CPU: 10901.6, 0.00307038/step Wall: 10901.6, 0.00307038/step, 1.15941 hours remaining, 205.636719 MB of memory in use. ENERGY: 3640600 707.1017 2134.1663 1953.1516 116.3550 -206140.9478 17804.4035 0.0000 0.0000 34114.5322 -149311.2374 297.9307 -183425.7696 -149222.5380 299.0477 15.7892 48.8255 559056.5205 7.5898 7.4566 PRESSURE: 3640800 -58.8075 -110.379 -55.0501 -110.378 25.2255 4.89791 -55.0502 4.89908 -70.0555 GPRESSURE: 3640800 -18.6557 -121.582 -66.362 -20.9099 11.4195 -114.599 -32.6372 50.91 -10.8925 PRESSAVG: 3640800 -19.7028 2.58278 15.4853 2.58281 -51.0233 45.258 15.4852 45.258 49.0647 GPRESSAVG: 3640800 -17.6264 5.67737 15.4131 0.92803 -53.1698 47.482 15.8705 44.1884 49.0016 TIMING: 3640800 CPU: 10902.2, 0.00306325/step Wall: 10902.2, 0.00306325/step, 1.15655 hours remaining, 205.636719 MB of memory in use. ENERGY: 3640800 728.4239 2053.4050 1925.8675 118.7531 -206099.1606 17691.0801 0.0000 0.0000 34189.7482 -149391.8828 298.5876 -183581.6310 -149299.3405 298.2351 -34.5458 -6.0429 556436.3462 -7.2205 -7.2648 PRESSURE: 3641000 -56.0534 -70.258 177.525 -70.2584 -400.311 111.57 177.525 111.57 -132.525 GPRESSURE: 3641000 -31.6111 -50.9837 216.899 -63.8277 -345.831 144.408 206.836 80.8629 -107.591 PRESSAVG: 3641000 -2.52306 -48.5829 19.2029 -48.583 -6.25362 -5.40947 19.2029 -5.40953 17.2089 GPRESSAVG: 3641000 -2.70921 -50.0793 20.7499 -49.3236 -5.49416 -9.27417 18.0799 -2.80973 16.3194 TIMING: 3641000 CPU: 10902.8, 0.00306781/step Wall: 10902.8, 0.00306781/step, 1.1581 hours remaining, 205.636719 MB of memory in use. ENERGY: 3641000 768.4744 2011.5643 1966.5491 116.9950 -205988.6100 17519.2220 0.0000 0.0000 34271.4782 -149334.3271 299.3013 -183605.8053 -149243.1317 298.5245 -196.2966 -161.6779 557434.9396 2.8107 2.7053 PRESSURE: 3641200 -63.6383 9.57407 -56.9688 9.57452 108.768 -126.504 -56.9688 -126.503 332.042 GPRESSURE: 3641200 36.7704 -74.7812 -75.955 75.3378 99.623 -126.748 -83.4987 -50.5705 334.894 PRESSAVG: 3641200 19.9456 -14.2513 13.3935 -14.2514 -32.9679 -38.8303 13.3935 -38.8303 18.4599 GPRESSAVG: 3641200 19.9727 -15.0848 11.652 -12.2 -33.0385 -37.6689 12.3379 -39.4047 19.0418 TIMING: 3641200 CPU: 10903.4, 0.00305803/step Wall: 10903.4, 0.00305803/step, 1.15424 hours remaining, 205.636719 MB of memory in use. ENERGY: 3641200 719.7947 2087.4248 1958.7682 125.8806 -206269.1367 17882.9074 0.0000 0.0000 34042.4820 -149451.8789 297.3015 -183494.3609 -149365.1098 298.3340 125.7239 157.0958 556693.2211 1.8125 1.9920 PRESSURE: 3641400 134.672 7.50486 -39.8801 7.50407 -5.5696 32.3884 -39.8809 32.3896 9.04745 GPRESSURE: 3641400 173.156 -11.9898 -44.4849 6.74369 25.9808 16.1823 -60.1281 12.4519 42.132 PRESSAVG: 3641400 -5.58837 -10.3845 -26.4857 -10.3844 39.3643 -1.98779 -26.4857 -1.9878 -17.373 GPRESSAVG: 3641400 -6.83365 -9.61217 -23.2956 -10.3336 40.8757 -3.05134 -26.0836 -1.48862 -17.6016 TIMING: 3641400 CPU: 10904, 0.00305903/step Wall: 10904, 0.00305903/step, 1.15444 hours remaining, 205.636719 MB of memory in use. ENERGY: 3641400 744.3659 2117.0712 1938.2192 108.1051 -206562.0318 17960.8628 0.0000 0.0000 34276.5190 -149416.8887 299.3454 -183693.4077 -149322.0317 298.6583 46.0498 80.4230 556374.6803 5.4676 5.4801 PRESSURE: 3641600 26.22 88.0889 23.1294 88.0885 -238.579 82.5905 23.1305 82.5906 -8.26654 GPRESSURE: 3641600 34.3997 99.9159 6.65905 101.998 -196.239 108.483 78.2121 77.6301 40.9354 PRESSAVG: 3641600 20.3159 -15.6267 -4.53621 -15.6267 -25.4302 -53.4036 -4.53617 -53.4037 21.324 GPRESSAVG: 3641600 19.5668 -14.1005 -8.75474 -15.9323 -26.8034 -52.8249 -3.58961 -52.3372 23.3324 TIMING: 3641600 CPU: 10904.6, 0.00305177/step Wall: 10904.6, 0.00305177/step, 1.15154 hours remaining, 205.636719 MB of memory in use. ENERGY: 3641600 745.1705 2139.1526 1933.7195 110.5521 -206029.7222 17539.5458 0.0000 0.0000 34080.6563 -149480.9254 297.6348 -183561.5817 -149375.9143 298.4816 -73.5417 -40.3014 556779.7405 5.4032 5.3652 PRESSURE: 3641800 -119.386 13.4495 148.556 13.4502 -4.95246 126.021 148.557 126.022 -87.4639 GPRESSURE: 3641800 -3.4851 -44.5824 135.514 37.7351 -45.8875 79.9403 171.218 55.4986 -45.7164 PRESSAVG: 3641800 64.3176 -3.73991 -3.79379 -3.73997 -97.9225 -38.4983 -3.79372 -38.4984 -9.48083 GPRESSAVG: 3641800 62.9206 -5.47263 -3.00804 -2.3183 -95.9674 -38.9765 -4.62797 -38.7277 -10.3521 TIMING: 3641800 CPU: 10905.2, 0.003039/step Wall: 10905.2, 0.003039/step, 1.14655 hours remaining, 205.636719 MB of memory in use. ENERGY: 3641800 734.4890 1998.9699 1950.0216 108.4891 -206124.0018 17669.8531 0.0000 0.0000 34181.3710 -149480.8080 298.5144 -183662.1790 -149382.1181 298.3762 -70.6009 -31.6963 557926.1924 -14.3619 -14.4663 PRESSURE: 3642000 -172.061 -114.594 -80.583 -114.594 41.0192 -137.087 -80.5841 -137.087 -174.35 GPRESSURE: 3642000 -143.149 -1.2829 -66.6978 -114.506 98.4673 -94.0244 -126.563 -98.3266 -156.142 PRESSAVG: 3642000 1.93936 -42.8869 -30.6229 -42.8868 53.9526 -15.0624 -30.6229 -15.0624 -58.0363 GPRESSAVG: 3642000 3.57335 -43.4698 -28.9437 -45.4374 52.8521 -14.8964 -31.2465 -14.9663 -58.3186 TIMING: 3642000 CPU: 10905.8, 0.00305111/step Wall: 10905.8, 0.00305111/step, 1.15095 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: 3642000 773.3259 2070.6264 1943.4377 109.9430 -206011.3503 17762.5844 0.0000 0.0000 34050.0495 -149301.3835 297.3676 -183351.4330 -149205.5226 298.3199 -101.7973 -66.9413 558574.1831 -0.7148 -0.6310 PRESSURE: 3642200 -230.772 -102.536 -118.077 -102.538 163.539 -162.937 -118.078 -162.936 -189.382 GPRESSURE: 3642200 -200.308 -113.814 -89.6975 -77.462 149.42 -156.323 -120.367 -63.9887 -114.625 PRESSAVG: 3642200 -8.37827 1.05332 -41.5696 1.05318 58.8121 1.86271 -41.5697 1.8627 -40.4932 GPRESSAVG: 3642200 -9.00104 1.10344 -43.5003 3.29187 58.2904 2.94293 -39.127 -1.05998 -39.5063 TIMING: 3642200 CPU: 10906.4, 0.00306797/step Wall: 10906.4, 0.00306797/step, 1.15714 hours remaining, 205.636719 MB of memory in use. ENERGY: 3642200 744.3313 2095.9213 1933.8620 107.2732 -206092.7037 17627.9366 0.0000 0.0000 34194.9671 -149388.4122 298.6332 -183583.3793 -149291.5497 299.2323 -85.5384 -55.1711 558577.5305 3.3135 3.2610 PRESSURE: 3642400 -91.418 -82.4423 -56.1396 -82.4429 85.8652 -2.79349 -56.1395 -2.79404 -147.887 GPRESSURE: 3642400 -52.7014 -49.9826 -116.866 -145.701 103.042 -16.6706 -43.9065 -13.9057 -103.225 PRESSAVG: 3642400 -27.6546 -41.2623 -34.3709 -41.2622 38.3387 -6.65189 -34.3709 -6.65187 -10.6913 GPRESSAVG: 3642400 -27.1715 -39.8062 -32.9224 -41.638 38.722 -7.46533 -36.0509 -5.7639 -10.7022 TIMING: 3642400 CPU: 10907.1, 0.00308666/step Wall: 10907.1, 0.00308666/step, 1.16401 hours remaining, 205.636719 MB of memory in use. ENERGY: 3642400 746.9373 2138.0310 1953.4125 118.6544 -206474.6130 17917.5171 0.0000 0.0000 34151.1741 -149448.8867 298.2507 -183600.0608 -149358.0754 298.7207 -51.1468 -17.6283 559032.1008 -0.0024 0.2828 PRESSURE: 3642600 186.772 136.879 97.5611 136.879 -86.076 7.73551 97.5615 7.73564 -172.102 GPRESSURE: 3642600 215.746 166.116 84.7232 56.8704 -56.1036 -1.55844 149.117 45.2041 -136.743 PRESSAVG: 3642600 16.0069 -22.5369 -26.4499 -22.5368 -56.1283 -26.8613 -26.4499 -26.8613 -41.585 GPRESSAVG: 3642600 16.6648 -22.0111 -27.0384 -23.2247 -56.0203 -25.548 -24.5914 -26.2421 -41.8872 TIMING: 3642600 CPU: 10907.7, 0.00309223/step Wall: 10907.7, 0.00309223/step, 1.16594 hours remaining, 205.636719 MB of memory in use. ENERGY: 3642600 724.2263 2095.9071 1971.7253 130.6838 -206549.6742 17973.2482 0.0000 0.0000 34091.5735 -149562.3101 297.7302 -183653.8835 -149462.6252 298.7810 -23.8022 7.6330 559122.2626 -27.2354 -27.0809 PRESSURE: 3642800 -76.1135 45.8497 92.9038 45.8495 -0.990362 -59.1249 92.9033 -59.1267 -288.614 GPRESSURE: 3642800 -34.1771 135.574 53.6594 12.2309 19.7834 -28.481 186.606 0.855978 -245.341 PRESSAVG: 3642800 38.0207 46.5676 22.0126 46.5676 -7.41219 26.9895 22.0126 26.9895 11.0821 GPRESSAVG: 3642800 38.316 46.5819 20.3636 45.6019 -6.79568 28.1214 22.7361 26.3244 10.5026 TIMING: 3642800 CPU: 10908.3, 0.0030297/step Wall: 10908.3, 0.0030297/step, 1.1422 hours remaining, 205.636719 MB of memory in use. ENERGY: 3642800 752.0885 2150.1970 1940.1657 101.8136 -206393.4224 17807.4550 0.0000 0.0000 34173.3990 -149468.3037 298.4448 -183641.7027 -149375.6467 298.4388 -121.9061 -86.5781 558003.2620 13.8969 14.0076 PRESSURE: 3643000 116.288 -113.598 23.0803 -113.597 102.878 -152 23.0801 -152.001 -73.3728 GPRESSURE: 3643000 64.739 -69.395 -72.8953 -123.535 160.909 -36.7038 -6.71166 -149.449 14.5896 PRESSAVG: 3643000 44.2734 64.35 -19.43 64.3501 -69.0567 -45.4809 -19.4302 -45.481 -4.15885 GPRESSAVG: 3643000 43.3864 63.262 -17.2019 66.0705 -68.505 -46.0903 -20.5375 -44.5453 -3.93022 TIMING: 3643000 CPU: 10908.9, 0.00302674/step Wall: 10908.9, 0.00302674/step, 1.14091 hours remaining, 205.636719 MB of memory in use. ENERGY: 3643000 759.3165 2092.9497 1967.5989 123.6563 -206678.9338 17951.9100 0.0000 0.0000 34285.4930 -149498.0093 299.4237 -183783.5023 -149399.9495 299.5742 48.5976 80.0793 556543.2661 -9.6474 -9.6829 PRESSURE: 3643200 116.051 22.5917 116.595 22.5906 128.014 34.1466 116.594 34.1458 142.687 GPRESSURE: 3643200 116.515 -26.133 156.035 5.33946 210.966 29.6044 72.7277 66.3702 146.927 PRESSAVG: 3643200 -19.4902 -1.62492 10.265 -1.62493 22.4331 -38.187 10.2649 -38.187 -55.8802 GPRESSAVG: 3643200 -18.3869 -0.735845 7.89409 -1.96764 21.4731 -35.455 11.2185 -39.3283 -55.8078 TIMING: 3643200 CPU: 10909.5, 0.00303507/step Wall: 10909.5, 0.00303507/step, 1.14388 hours remaining, 205.636719 MB of memory in use. ENERGY: 3643200 728.5547 2079.3571 1939.4098 105.4573 -206698.8996 18102.8336 0.0000 0.0000 34150.3139 -149592.9733 298.2432 -183743.2872 -149487.7859 298.8328 128.9171 158.1358 557039.1758 -17.6457 -17.5739 PRESSURE: 3643400 4.68563 -126.72 -13.6599 -126.72 -6.51705 -10.807 -13.6603 -10.8073 -137.695 GPRESSURE: 3643400 33.0557 -169.922 -24.3819 -232.181 -21.2042 119.743 -1.30737 -108.872 -60.3859 PRESSAVG: 3643400 -46.8728 -12.2657 -41.7193 -12.2657 32.971 -4.15137 -41.7193 -4.15136 39.2439 GPRESSAVG: 3643400 -47.3523 -11.8697 -41.0769 -12.6428 34.1645 -5.23162 -41.6913 -3.74402 39.1927 TIMING: 3643400 CPU: 10910.1, 0.00304738/step Wall: 10910.1, 0.00304738/step, 1.14835 hours remaining, 205.636719 MB of memory in use. ENERGY: 3643400 731.3628 2121.5933 1947.9774 110.4528 -206323.4389 17848.4303 0.0000 0.0000 34075.2756 -149488.3467 297.5879 -183563.6223 -149388.9542 299.1010 -46.5088 -16.1781 559180.6077 8.4474 8.6683 PRESSURE: 3643600 -273.955 -104.264 -44.2585 -104.263 -15.927 -77.2656 -44.2584 -77.2649 343.794 GPRESSURE: 3643600 -210.593 -172.163 -109.528 -123.682 -3.94866 -112.621 -28.894 -20.8563 346.677 PRESSAVG: 3643600 -73.1937 46.7404 47.9902 46.7405 72.2913 13.1104 47.9903 13.1105 -39.9959 GPRESSAVG: 3643600 -71.532 45.2645 47.8136 48.288 70.7909 10.7086 45.6198 14.0917 -40.2178 TIMING: 3643600 CPU: 10910.7, 0.00306273/step Wall: 10910.7, 0.00306273/step, 1.15397 hours remaining, 205.636719 MB of memory in use. ENERGY: 3643600 752.6192 2089.3392 1942.5215 123.2597 -206478.8333 17850.7256 0.0000 0.0000 34209.6907 -149510.6775 298.7617 -183720.3682 -149414.6212 298.3129 17.9705 44.0452 555740.5707 -13.6328 -13.6530 PRESSURE: 3643800 110.156 72.1406 105.811 72.141 -12.7959 77.5041 105.81 77.5046 -19.7859 GPRESSURE: 3643800 112.913 -88.5499 33.2815 133.687 53.1501 63.9167 123.74 48.5724 8.54647 PRESSAVG: 3643800 -8.26374 -8.4502 -5.73221 -8.45011 28.2096 -2.30473 -5.73227 -2.3047 -22.6715 GPRESSAVG: 3643800 -9.16853 -8.22168 -2.9239 -8.31143 28.2406 -0.560626 -4.93912 -3.52638 -22.5422 TIMING: 3643800 CPU: 10911.3, 0.00304492/step Wall: 10911.3, 0.00304492/step, 1.14709 hours remaining, 205.636719 MB of memory in use. ENERGY: 3643800 735.9642 2074.1489 1928.4995 107.9009 -206492.2374 17959.5196 0.0000 0.0000 34090.2410 -149595.9634 297.7186 -183686.2044 -149495.0842 297.7464 25.8579 58.2031 555995.1527 -0.9085 -1.1567 PRESSURE: 3644000 -319.408 -147.603 -68.4611 -147.603 23.7805 -31.3873 -68.4607 -31.3876 -239.16 GPRESSURE: 3644000 -220.232 -186.662 6.85963 -169.454 -10.3218 -44.4669 -79.0072 -124.417 -201.662 PRESSAVG: 3644000 -7.7978 -34.8821 28.6026 -34.8821 9.46464 7.82723 28.6027 7.82728 -21.4329 GPRESSAVG: 3644000 -7.43776 -35.1223 30.1843 -34.0331 9.09733 8.13604 27.2139 7.66643 -20.9532 TIMING: 3644000 CPU: 10911.9, 0.00306065/step Wall: 10911.9, 0.00306065/step, 1.15285 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: 3644000 727.7935 2124.8716 1978.3600 122.8519 -206225.2612 17619.6461 0.0000 0.0000 34251.4412 -149400.2970 299.1264 -183651.7381 -149294.9904 298.6668 -178.2625 -144.0720 558097.5309 -6.5887 -6.4312 PRESSURE: 3644200 78.594 -68.3383 124.07 -68.3387 206.012 9.84508 124.069 9.84733 116.7 GPRESSURE: 3644200 66.2969 -28.7002 170.461 -81.7223 241.775 -80.4716 164.446 43.7431 185.902 PRESSAVG: 3644200 1.17234 8.16185 13.0713 8.16178 -8.88431 -18.0768 13.0712 -18.0768 15.4704 GPRESSAVG: 3644200 1.96094 10.707 10.9427 5.3863 -7.75134 -18.4627 17.006 -17.1556 13.9913 TIMING: 3644200 CPU: 10912.5, 0.00304983/step Wall: 10912.5, 0.00304983/step, 1.1486 hours remaining, 205.636719 MB of memory in use. ENERGY: 3644200 736.2047 2144.4648 1971.3776 116.2447 -206898.7608 18003.9427 0.0000 0.0000 34529.5827 -149396.9438 301.5554 -183926.5265 -149303.2342 299.1700 133.7688 164.6581 555193.7549 2.5861 2.7336 LDB: ============= START OF LOAD BALANCING ============== 10916 LDB: ============== END OF LOAD BALANCING =============== 10916 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10916 LDB: ============= START OF LOAD BALANCING ============== 10916.3 LDB: Largest compute 4820 load 0.027180 is 23.0% of average load 0.118027 LDB: Average compute 0.001723 is 1.5% of average load 0.118027 LDB: TIME 10916.3 LOAD: AVG 0.118027 MAX 0.218888 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 10916.3 LOAD: AVG 0.118027 MAX 0.218888 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.66 MB LDB: TIME 10916.3 LOAD: AVG 0.118027 MAX 0.218888 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10916.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10916.3 PRESSURE: 3644400 203.487 -154.521 138.921 -154.521 365.017 -40.4375 138.921 -40.4364 13.1712 GPRESSURE: 3644400 205.38 -108.713 83.4522 -157.591 415.669 -57.0879 132.325 -119.974 63.6106 PRESSAVG: 3644400 62.1433 -9.88836 48.3495 -9.88842 -52.535 -32.3881 48.3496 -32.388 -26.0509 GPRESSAVG: 3644400 62.8701 -11.746 50.1911 -9.14608 -52.2382 -30.362 45.8336 -32.4926 -26.5652 TIMING: 3644400 CPU: 10913.2, 0.00311377/step Wall: 10913.2, 0.00311377/step, 1.17251 hours remaining, 206.968750 MB of memory in use. ENERGY: 3644400 727.7410 2102.9197 1975.3248 115.5580 -206662.0497 17987.9573 0.0000 0.0000 34381.0232 -149371.5258 300.2580 -183752.5490 -149272.7477 299.3310 193.8919 228.2198 554442.9507 -5.4809 -5.3111 PRESSURE: 3644600 166.492 78.4036 32.0345 78.4033 181.469 131.97 32.0345 131.967 -138.146 GPRESSURE: 3644600 200.968 107.608 0.95972 85.7139 214.695 94.5841 156.086 17.9951 -100.514 PRESSAVG: 3644600 -55.89 18.929 4.81767 18.929 63.3251 41.6728 4.81771 41.6727 -56.4958 GPRESSAVG: 3644600 -57.0696 19.3404 3.68361 20.4637 63.5384 39.464 7.53652 42.4675 -55.1538 TIMING: 3644600 CPU: 10913.8, 0.00308457/step Wall: 10913.8, 0.00308457/step, 1.16134 hours remaining, 207.210938 MB of memory in use. ENERGY: 3644600 736.2595 2159.0066 1943.3879 117.6991 -206521.6113 17883.7611 0.0000 0.0000 34171.0951 -149510.4020 298.4247 -183681.4972 -149418.2343 299.3578 69.9383 105.0497 554893.7242 -16.3535 -16.2284 PRESSURE: 3644800 -66.1938 98.1084 43.5554 98.1063 -166.057 46.1446 43.555 46.1431 195.029 GPRESSURE: 3644800 -50.195 188.311 -26.6932 69.8352 -72.4491 42.6468 87.8994 62.8504 188.405 PRESSAVG: 3644800 1.20529 17.9247 -27.0817 17.9247 3.04631 33.2383 -27.0816 33.2383 -20.1328 GPRESSAVG: 3644800 1.90467 15.2802 -25.8161 18.3555 2.36669 32.6346 -30.1918 33.7236 -20.7531 TIMING: 3644800 CPU: 10914.4, 0.00306352/step Wall: 10914.4, 0.00306352/step, 1.15325 hours remaining, 207.210938 MB of memory in use. ENERGY: 3644800 753.6361 2126.9575 1900.7752 117.5471 -206339.7112 17778.8539 0.0000 0.0000 34311.6310 -149350.3106 299.6520 -183661.9416 -149252.7593 299.7522 -12.4072 21.9203 556229.2900 -5.2937 -5.4939 PRESSURE: 3645000 -54.9193 -144.82 -51.3825 -144.821 26.8442 -126.571 -51.3831 -126.571 151.698 GPRESSURE: 3645000 -60.0916 -120.468 -106.191 -119.215 106.842 -96.482 -42.3008 -156.689 171.935 PRESSAVG: 3645000 -16.8159 49.1298 -57.5561 49.1298 28.6309 -20.3386 -57.556 -20.3388 12.5771 GPRESSAVG: 3645000 -16.7986 51.6553 -58.1886 47.9293 27.8803 -19.1497 -58.1225 -22.3229 13.4252 TIMING: 3645000 CPU: 10915, 0.0030609/step Wall: 10915, 0.0030609/step, 1.15209 hours remaining, 207.210938 MB of memory in use. ENERGY: 3645000 744.9902 2145.6966 1948.4545 130.7692 -206526.9614 17937.2958 0.0000 0.0000 34217.1970 -149402.5581 298.8273 -183619.7551 -149311.1441 299.2233 41.2076 72.8952 557266.9013 8.1307 8.1690 PRESSURE: 3645200 -37.6176 -114.793 58.7851 -114.792 90.2454 -26.7772 58.7851 -26.7766 -78.4199 GPRESSURE: 3645200 -29.3435 -83.2489 53.1743 -146.671 130.089 12.9992 60.1788 49.2349 -26.12 PRESSAVG: 3645200 -27.6135 30.0377 -80.2071 30.0376 -17.2432 -23.8995 -80.2072 -23.8995 14.8937 GPRESSAVG: 3645200 -28.8573 29.1964 -80.8904 29.528 -16.518 -24.3194 -77.5865 -22.5363 15.1808 TIMING: 3645200 CPU: 10915.6, 0.00304031/step Wall: 10915.6, 0.00304031/step, 1.14417 hours remaining, 207.468750 MB of memory in use. ENERGY: 3645200 722.0056 2107.9512 1936.8529 115.2711 -206358.3797 17798.7216 0.0000 0.0000 34313.5871 -149363.9902 299.6691 -183677.5773 -149265.3438 298.2271 -8.5974 24.8752 556927.9082 -9.9877 -10.0648 PRESSURE: 3645400 -79.3888 83.3539 -13.5613 83.3555 -24.3165 -110.297 -13.5625 -110.296 -187.208 GPRESSURE: 3645400 -71.6324 136.476 -71.1882 87.2336 22.2389 -148.85 19.2161 -90.6039 -140.854 PRESSAVG: 3645400 -20.1527 3.37535 -9.81546 3.37532 16.9564 -57.1308 -9.81543 -57.1307 25.8051 GPRESSAVG: 3645400 -19.2916 6.58509 -11.01 3.60774 17.3473 -56.5368 -10.4545 -57.6729 24.6947 TIMING: 3645400 CPU: 10916.2, 0.00305435/step Wall: 10916.2, 0.00305435/step, 1.14929 hours remaining, 207.468750 MB of memory in use. ENERGY: 3645400 758.6809 2030.2421 1928.4201 112.5682 -206323.7719 17788.0565 0.0000 0.0000 34218.6843 -149487.1199 298.8403 -183705.8042 -149392.7847 298.6033 -96.9712 -63.4159 558284.7191 7.5363 7.5835 PRESSURE: 3645600 -1.92335 155.373 86.1651 155.373 -206.262 14.9618 86.165 14.9609 -238.685 GPRESSURE: 3645600 1.02379 150.013 77.2741 163.825 -115.159 6.46158 51.7319 46.1946 -243.552 PRESSAVG: 3645600 -13.6235 40.2902 19.7638 40.2902 2.66797 17.1163 19.7638 17.1163 -19.8311 GPRESSAVG: 3645600 -14.0986 36.919 18.423 40.427 3.77973 15.6809 18.9183 17.6063 -20.8415 TIMING: 3645600 CPU: 10916.8, 0.00304854/step Wall: 10916.8, 0.00304854/step, 1.14693 hours remaining, 207.468750 MB of memory in use. ENERGY: 3645600 804.1966 2094.3047 1944.0425 116.7640 -206306.7539 17714.9054 0.0000 0.0000 34236.1203 -149396.4203 298.9926 -183632.5406 -149300.6730 299.1281 -148.9567 -119.2292 558197.8380 -10.2622 -10.3868 PRESSURE: 3645800 -119.47 13.9165 -103.824 13.916 -178.376 -151.552 -103.824 -151.553 151.935 GPRESSURE: 3645800 -98.2114 2.89312 -132.396 8.21876 -121.8 -186.218 -200.197 -117.727 162.672 PRESSAVG: 3645800 -72.082 18.9623 -22.2191 18.9623 72.8158 61.6684 -22.2191 61.6684 29.6966 GPRESSAVG: 3645800 -72.3306 19.7584 -21.5041 18.3827 70.8333 62.9418 -21.8296 61.1834 31.8261 TIMING: 3645800 CPU: 10917.5, 0.00306336/step Wall: 10917.5, 0.00306336/step, 1.15234 hours remaining, 207.468750 MB of memory in use. ENERGY: 3645800 764.3539 2077.2384 1938.7991 115.6878 -206166.1394 17777.1251 0.0000 0.0000 34064.6885 -149428.2466 297.4954 -183492.9351 -149329.6715 298.3461 -48.6371 -19.1130 558425.7874 10.1435 10.1096 PRESSURE: 3646000 -207.895 -54.1375 -18.1781 -54.1381 38.5234 11.9816 -18.1785 11.9823 268.53 GPRESSURE: 3646000 -151.36 -41.8356 -38.6225 -80.1476 32.3887 -16.4746 -35.1492 -42.9998 314.124 PRESSAVG: 3646000 -44.1949 -18.1605 17.6273 -18.1604 45.7227 6.67124 17.6272 6.67127 21.8108 GPRESSAVG: 3646000 -42.5613 -18.283 20.3582 -17.6892 44.6885 5.31137 16.7667 5.01407 20.9878 TIMING: 3646000 CPU: 10918.1, 0.00307077/step Wall: 10918.1, 0.00307077/step, 1.15495 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: 3646000 766.6331 2049.7396 1973.4862 119.3456 -206351.0596 17941.4257 0.0000 0.0000 34130.7603 -149369.6691 298.0724 -183500.4294 -149267.4511 298.7272 33.0528 65.0511 557958.2951 7.7795 7.7050 PRESSURE: 3646200 90.2111 11.4795 19.1356 11.479 -300.218 55.6474 19.1365 55.6472 -243.95 GPRESSURE: 3646200 62.5418 -61.5435 -41.3287 -6.71957 -240.471 127.336 117.341 49.0381 -176.02 PRESSAVG: 3646200 -40.0456 -28.0236 5.61146 -28.0237 -13.816 24.3922 5.61149 24.3923 35.5853 GPRESSAVG: 3646200 -41.373 -28.6472 4.07721 -28.0891 -12.6705 24.5058 9.33232 26.4851 36.0032 TIMING: 3646200 CPU: 10918.7, 0.00305468/step Wall: 10918.7, 0.00305468/step, 1.14873 hours remaining, 207.468750 MB of memory in use. ENERGY: 3646200 783.4931 2091.5720 1961.0754 113.4702 -206373.7781 17869.5522 0.0000 0.0000 34137.7211 -149416.8941 298.1332 -183554.6153 -149328.7009 299.0003 -151.3188 -117.9829 558542.9458 -6.0921 -6.0134 PRESSURE: 3646400 -17.595 -206.76 110.511 -206.761 108.01 44.931 110.51 44.9301 237.163 GPRESSURE: 3646400 26.8393 -283.481 85.7692 -115.399 155.571 106.958 2.9716 76.438 234.621 PRESSAVG: 3646400 -12.8804 33.3321 -11.4191 33.3321 -28.0444 -5.20617 -11.4191 -5.20616 51.6024 GPRESSAVG: 3646400 -13.3819 34.5275 -12.3923 34.2069 -27.8648 -3.78928 -13.9426 -6.84106 52.0434 TIMING: 3646400 CPU: 10919.3, 0.00302967/step Wall: 10919.3, 0.00302967/step, 1.13915 hours remaining, 207.468750 MB of memory in use. ENERGY: 3646400 740.9825 2095.0591 1925.2526 103.9716 -206634.9064 18032.7020 0.0000 0.0000 34003.2669 -149733.6718 296.9590 -183736.9387 -149634.7025 297.9780 109.1925 139.0105 557905.7593 3.5592 3.5989 PRESSURE: 3646600 211.954 55.7666 7.88195 55.7656 -103.356 13.5865 7.88209 13.5856 163.801 GPRESSURE: 3646600 317.189 116.344 95.7609 -7.87342 -123.278 15.1575 97.7796 44.5958 172.771 PRESSAVG: 3646600 45.2549 14.4728 -13.2373 14.4728 -54.1525 13.9827 -13.2374 13.9827 19.1662 GPRESSAVG: 3646600 46.1283 15.7179 -13.1331 12.8767 -54.1747 12.5999 -13.1579 15.7937 19.0394 TIMING: 3646600 CPU: 10919.9, 0.00303854/step Wall: 10919.9, 0.00303854/step, 1.14232 hours remaining, 207.468750 MB of memory in use. ENERGY: 3646600 762.1006 2131.9912 1940.1322 104.8193 -206584.8921 18071.8393 0.0000 0.0000 34006.8450 -149567.1644 296.9902 -183574.0095 -149478.0753 297.6919 90.7997 122.2274 557512.2504 3.4229 3.6643 PRESSURE: 3646800 -200.726 -65.9592 -72.2805 -65.9582 -1.3503 -71.5715 -72.2808 -71.5701 206.067 GPRESSURE: 3646800 -170.383 -186.405 -58.934 -37.4901 14.5059 -67.32 -38.1791 -23.2613 267.405 PRESSAVG: 3646800 -37.7869 -11.221 16.7978 -11.221 -63.5219 1.78152 16.7977 1.78156 83.2069 GPRESSAVG: 3646800 -35.9951 -13.341 15.2398 -11.0181 -64.1399 3.33981 17.4445 0.647002 82.6332 TIMING: 3646800 CPU: 10920.5, 0.0030385/step Wall: 10920.5, 0.0030385/step, 1.14214 hours remaining, 207.468750 MB of memory in use. ENERGY: 3646800 756.0491 2042.7077 1957.1107 111.8123 -206628.9450 18033.6163 0.0000 0.0000 34158.6922 -149568.9568 298.3164 -183727.6490 -149469.1272 297.6555 1.3301 37.1760 557508.9578 -6.0340 -5.8339 PRESSURE: 3647000 117.713 18.8505 176.215 18.8512 -270.75 -41.9692 176.215 -41.9683 -304.109 GPRESSURE: 3647000 130.812 4.90751 61.8047 7.94861 -206.297 50.2716 190.455 -43.8207 -294.825 PRESSAVG: 3647000 14.4575 -22.6039 56.9916 -22.6039 5.4904 1.64898 56.9916 1.64898 -26.2091 GPRESSAVG: 3647000 12.008 -22.3366 58.0181 -21.1166 6.70068 0.999604 55.9079 2.14753 -24.6195 TIMING: 3647000 CPU: 10921.1, 0.00304504/step Wall: 10921.1, 0.00304504/step, 1.14443 hours remaining, 207.468750 MB of memory in use. ENERGY: 3647000 741.9620 2060.8379 1954.2884 119.4265 -206269.6321 17575.9787 0.0000 0.0000 34152.2747 -149664.8639 298.2603 -183817.1386 -149567.2805 298.0817 -152.3818 -123.4366 556154.4675 -2.0870 -1.9703 PRESSURE: 3647200 -308.456 -197.438 -143.519 -197.437 55.272 -6.13237 -143.52 -6.13394 -7.3541 GPRESSURE: 3647200 -299.496 -151.633 -169.479 -143.66 119.38 -28.6219 -136.535 108.887 20.0375 PRESSAVG: 3647200 -20.3177 36.5271 -28.5061 36.527 -20.6666 32.9815 -28.506 32.9814 -4.64969 GPRESSAVG: 3647200 -19.4596 35.8058 -27.3046 36.5092 -21.2687 34.5316 -28.3352 33.6322 -5.48973 TIMING: 3647200 CPU: 10921.7, 0.00305226/step Wall: 10921.7, 0.00305226/step, 1.14697 hours remaining, 207.468750 MB of memory in use. ENERGY: 3647200 761.9990 2039.1203 1936.6306 111.8669 -206241.2437 17656.0244 0.0000 0.0000 34193.9753 -149541.6272 298.6245 -183735.6025 -149445.8523 297.9565 -86.8461 -53.3597 557504.2040 -15.2113 -15.4060 PRESSURE: 3647400 -67.7451 -1.21043 35.7979 -1.21156 -174.3 -38.6479 35.7981 -38.6467 -107.688 GPRESSURE: 3647400 -56.6105 7.73345 46.9126 -53.0998 -108.048 -14.6433 27.1115 -91.5397 -95.8302 PRESSAVG: 3647400 43.5328 -59.8651 -16.7068 -59.8651 -9.39837 42.3266 -16.7068 42.3266 -31.948 GPRESSAVG: 3647400 44.4115 -59.2612 -17.916 -62.3723 -10.9013 41.7898 -15.2165 40.2692 -31.5368 TIMING: 3647400 CPU: 10922.3, 0.00304666/step Wall: 10922.3, 0.00304666/step, 1.1447 hours remaining, 207.468750 MB of memory in use. ENERGY: 3647400 736.4047 2115.2937 1939.3708 124.9317 -206638.2154 17877.9979 0.0000 0.0000 34294.7538 -149549.4628 299.5046 -183844.2166 -149453.6102 297.9800 -116.5777 -86.8294 557707.3616 0.7288 0.6578 PRESSURE: 3647600 -20.3313 88.6833 119.176 88.6837 -82.1878 -9.88229 119.174 -9.88148 -64.047 GPRESSURE: 3647600 5.14983 23.8113 69.3089 268.897 -34.3897 -99.8373 107.068 41.8039 -47.7339 PRESSAVG: 3647600 -5.89655 -27.0949 21.0146 -27.0949 -9.36435 24.2011 21.0147 24.2012 4.25379 GPRESSAVG: 3647600 -7.76943 -26.0321 23.3123 -25.8499 -7.52279 22.1898 17.6912 24.6401 4.09843 TIMING: 3647600 CPU: 10922.9, 0.00303536/step Wall: 10922.9, 0.00303536/step, 1.14028 hours remaining, 207.468750 MB of memory in use. ENERGY: 3647600 737.7691 2119.4964 1967.6960 129.5903 -206259.4764 17809.4182 0.0000 0.0000 34080.1773 -149415.3290 297.6307 -183495.5064 -149327.5590 298.3115 -55.5220 -25.6579 558588.4807 -3.6690 -3.7313 PRESSURE: 3647800 63.7892 100.363 -73.2608 100.363 56.68 -105.462 -73.2616 -105.461 227.159 GPRESSURE: 3647800 114.959 72.6943 -170.126 34.4053 112.642 -212.512 -9.49823 -54.6293 206.685 PRESSAVG: 3647800 -13.9233 20.4288 12.0491 20.4289 20.2673 -18.5196 12.0491 -18.5197 25.3461 GPRESSAVG: 3647800 -13.9345 18.4708 10.2712 21.1067 20.3805 -20.2611 15.9244 -16.796 25.7001 TIMING: 3647800 CPU: 10923.5, 0.00303205/step Wall: 10923.5, 0.00303205/step, 1.13887 hours remaining, 207.468750 MB of memory in use. ENERGY: 3647800 704.0911 2082.2636 1953.8207 114.8598 -206463.5357 18118.4019 0.0000 0.0000 34367.0280 -149123.0706 300.1358 -183490.0987 -149033.7850 298.8521 115.8762 144.7620 558351.5657 10.5634 10.7153 PRESSURE: 3648000 -194.039 -169.509 6.34153 -169.509 -168.858 28.8098 6.34072 28.8101 53.4753 GPRESSURE: 3648000 -182.626 -255.339 -69.7064 -125.465 -109.559 -50.819 151.839 112.978 86.2864 PRESSAVG: 3648000 -23.4224 6.81048 -14.0309 6.81046 23.2147 -3.55713 -14.0309 -3.55717 -5.15803 GPRESSAVG: 3648000 -22.9311 8.30078 -13.1748 5.44756 21.4746 -0.530504 -15.1349 -6.88415 -3.22961 TIMING: 3648000 CPU: 10924.1, 0.00300993/step Wall: 10924.1, 0.00300993/step, 1.1304 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: 3648000 706.0650 2129.8426 1946.8223 105.1229 -206064.3751 17877.7703 0.0000 0.0000 34199.1489 -149099.6032 298.6697 -183298.7522 -149009.0523 299.8316 -103.1406 -68.6331 558388.0112 -1.7886 -1.5620 PRESSURE: 3648200 180.545 208.838 26.5949 208.838 279.233 85.3595 26.5946 85.3589 8.06362 GPRESSURE: 3648200 206.282 202.322 -5.5129 182.389 231.575 -1.53418 119.188 104.076 122.855 PRESSAVG: 3648200 -81.334 -25.7648 -3.94185 -25.7648 45.6815 33.8253 -3.94186 33.8253 38.3964 GPRESSAVG: 3648200 -82.1505 -27.0945 -4.91462 -26.097 46.7105 32.5566 -3.41644 35.6725 38.4733 TIMING: 3648200 CPU: 10924.8, 0.00302235/step Wall: 10924.8, 0.00302235/step, 1.13489 hours remaining, 207.468750 MB of memory in use. ENERGY: 3648200 719.7981 2056.7287 1947.1803 111.8915 -206398.6639 18089.6586 0.0000 0.0000 34416.9429 -149056.4638 300.5717 -183473.4068 -148957.0612 300.1165 155.9471 186.9039 557638.1876 0.9146 1.0111 LDB: ============= START OF LOAD BALANCING ============== 10928.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10928.2 LDB: =============== DONE WITH MIGRATION ================ 10928.2 LDB: ============= START OF LOAD BALANCING ============== 10928.5 LDB: Largest compute 4820 load 0.027167 is 23.0% of average load 0.118078 LDB: Average compute 0.001735 is 1.5% of average load 0.118078 LDB: TIME 10928.5 LOAD: AVG 0.118078 MAX 0.221017 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 10928.5 LOAD: AVG 0.118078 MAX 0.221017 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: TIME 10928.5 LOAD: AVG 0.118078 MAX 0.221017 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: ============== END OF LOAD BALANCING =============== 10928.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10928.5 PRESSURE: 3648400 237.305 83.5658 -9.6351 83.5662 63.3493 97.7956 -9.63494 97.7962 -317.344 GPRESSURE: 3648400 318.479 116.713 -64.1266 104.569 51.796 29.5476 -9.63514 127.032 -288.294 PRESSAVG: 3648400 -11.3802 71.0743 -21.6616 71.0743 56.7975 -3.01761 -21.6615 -3.01768 -46.1861 GPRESSAVG: 3648400 -10.6289 69.95 -22.3652 72.6348 57.7023 -2.42261 -22.1602 -1.56679 -47.7446 TIMING: 3648400 CPU: 10925.4, 0.00307398/step Wall: 10925.4, 0.00307398/step, 1.15411 hours remaining, 206.714844 MB of memory in use. ENERGY: 3648400 736.2405 2030.9938 1938.3221 103.4864 -205926.6187 17728.3803 0.0000 0.0000 34465.4510 -148923.7446 300.9954 -183389.1956 -148816.3812 299.9990 -5.5632 27.3271 558646.5691 -0.2562 -0.2237 PRESSURE: 3648600 51.0829 64.1186 -47.5197 64.119 -101.352 -101.713 -47.519 -101.715 -108.049 GPRESSURE: 3648600 83.7328 -24.7767 9.10873 117.636 -13.7451 -129.119 -75.722 -79.3442 -127.458 PRESSAVG: 3648600 93.3951 37.9263 13.2954 37.9264 -7.63192 -22.7637 13.2954 -22.7636 -64.9346 GPRESSAVG: 3648600 94.5594 39.3523 14.4119 37.0361 -8.14602 -23.6616 13.6499 -22.8493 -66.0772 TIMING: 3648600 CPU: 10926, 0.00303927/step Wall: 10926, 0.00303927/step, 1.14091 hours remaining, 207.175781 MB of memory in use. ENERGY: 3648600 765.8298 2040.0274 1949.1095 132.1499 -205926.9382 17816.0809 0.0000 0.0000 34241.2510 -148982.4895 299.0374 -183223.7406 -148879.5654 299.7471 -52.7725 -19.1569 559068.4199 6.9429 6.7787 PRESSURE: 3648800 -68.3752 78.5116 -5.04161 78.5106 -165.88 78.0995 -5.04197 78.1006 -81.6572 GPRESSURE: 3648800 -44.3236 32.2619 59.2066 144.671 -108.299 168.986 -59.3422 41.8142 -66.6953 PRESSAVG: 3648800 -18.8062 17.7054 -10.6305 17.7054 31.7947 -0.354994 -10.6305 -0.354879 -28.8587 GPRESSAVG: 3648800 -19.571 17.5381 -9.9478 18.6251 31.3779 0.79837 -11.7227 -1.5364 -27.9888 TIMING: 3648800 CPU: 10926.6, 0.00304732/step Wall: 10926.6, 0.00304732/step, 1.14376 hours remaining, 207.175781 MB of memory in use. ENERGY: 3648800 720.4315 2053.0174 1974.5741 110.3285 -205835.2416 17691.3833 0.0000 0.0000 34362.1116 -148923.3951 300.0929 -183285.5068 -148828.8628 299.5787 -105.3041 -73.1059 559085.6308 -5.2900 -5.3940 PRESSURE: 3649000 -127.503 202.191 -57.2535 202.191 184.429 -149.244 -57.2555 -149.245 -66.0112 GPRESSURE: 3649000 -148.206 222.665 101.193 157.414 179.392 -172.553 -78.5229 -147.275 60.6134 PRESSAVG: 3649000 30.2312 12.1849 19.4217 12.1848 32.4165 35.3384 19.4217 35.3385 17.7763 GPRESSAVG: 3649000 29.4804 12.0989 18.1766 9.75625 32.6671 33.036 20.1572 37.0516 18.8611 TIMING: 3649000 CPU: 10927.2, 0.00301396/step Wall: 10927.2, 0.00301396/step, 1.13107 hours remaining, 207.300781 MB of memory in use. ENERGY: 3649000 784.6780 2029.9469 1958.7729 122.4613 -205857.2251 17824.8352 0.0000 0.0000 34320.3775 -148816.1534 299.7284 -183136.5309 -148726.9431 300.4323 -3.0285 30.5996 557595.5567 26.8080 27.0029 PRESSURE: 3649200 20.6454 108.67 26.4318 108.671 50.2298 -83.1081 26.4314 -83.1089 65.9843 GPRESSURE: 3649200 81.5415 114.15 46.816 101.565 60.5526 -64.9935 40.918 -112.505 108.084 PRESSAVG: 3649200 -1.14511 51.0353 -45.5261 51.0353 -29.1154 -0.524727 -45.5261 -0.524829 10.2511 GPRESSAVG: 3649200 -1.87023 51.3524 -43.8307 51.6552 -27.3674 1.56258 -46.9915 -3.2708 10.4117 TIMING: 3649200 CPU: 10927.8, 0.00303731/step Wall: 10927.8, 0.00303731/step, 1.13966 hours remaining, 207.300781 MB of memory in use. ENERGY: 3649200 763.3662 2100.7026 1927.0228 107.3199 -205989.3187 17837.8897 0.0000 0.0000 34446.0422 -148806.9753 300.8259 -183253.0175 -148709.8971 300.1028 45.6198 83.3928 558631.9744 -6.6698 -6.2753 PRESSURE: 3649400 -54.7715 -44.1173 159.351 -44.1163 -0.477688 -51.4244 159.351 -51.4252 -110.07 GPRESSURE: 3649400 -12.357 -15.0892 102.594 -23.0416 44.032 -30.8364 99.8441 -50.6468 -109.147 PRESSAVG: 3649400 -26.2087 -2.61068 34.341 -2.61074 -18.1068 -27.3867 34.3409 -27.3867 7.928 GPRESSAVG: 3649400 -24.9155 -2.90537 33.9884 -2.20019 -18.8626 -28.7763 35.2149 -26.4927 7.33538 TIMING: 3649400 CPU: 10928.4, 0.00304378/step Wall: 10928.4, 0.00304378/step, 1.14193 hours remaining, 207.300781 MB of memory in use. ENERGY: 3649400 698.5382 2095.8039 1947.2906 101.6311 -206037.1639 17739.2183 0.0000 0.0000 34493.0469 -148961.6347 301.2364 -183454.6816 -148869.3675 300.8155 -55.1064 -25.8240 559273.1678 -12.1292 -12.1476 PRESSURE: 3649600 125.583 -39.248 -48.7406 -39.2465 6.40285 20.9019 -48.7407 20.9012 -40.7537 GPRESSURE: 3649600 168.297 19.8649 27.3704 -40.8391 19.1385 -33.7619 -52.3301 37.5353 2.3974 PRESSAVG: 3649600 19.3188 -14.0948 60.9085 -14.0947 -45.4642 -44.0121 60.9085 -44.0121 8.70065 GPRESSAVG: 3649600 20.0817 -13.813 61.2975 -14.1941 -46.4898 -43.18 58.3369 -45.1225 9.21212 TIMING: 3649600 CPU: 10929, 0.00304107/step Wall: 10929, 0.00304107/step, 1.14074 hours remaining, 207.300781 MB of memory in use. ENERGY: 3649600 757.6344 2069.5724 1926.1912 119.5310 -206294.9442 18040.0756 0.0000 0.0000 34390.0429 -148991.8968 300.3368 -183381.9397 -148896.4961 299.7671 30.4106 63.2778 558014.0931 -5.8149 -5.7320 PRESSURE: 3649800 -146.369 134.173 -68.1193 134.171 -118.248 137.74 -68.1205 137.74 166.613 GPRESSURE: 3649800 -141.45 134.443 74.7231 121.703 -77.7715 138.499 -102.207 151.192 204.939 PRESSAVG: 3649800 -2.83763 34.7329 23.9945 34.733 14.9206 32.3983 23.9944 32.3983 22.9899 GPRESSAVG: 3649800 -3.42793 35.5436 22.4358 36.1715 15.7343 32.6848 27.0414 34.241 22.8259 TIMING: 3649800 CPU: 10929.6, 0.00302642/step Wall: 10929.6, 0.00302642/step, 1.13508 hours remaining, 207.300781 MB of memory in use. ENERGY: 3649800 772.3792 2064.1486 1936.4139 120.3564 -206227.1275 17848.0516 0.0000 0.0000 34505.2923 -148980.4856 301.3433 -183485.7779 -148881.7555 300.1174 -32.6682 -4.7608 557560.2408 11.6909 11.7108 PRESSURE: 3650000 -129.537 -73.7714 -132.622 -73.77 -105.807 72.0475 -132.621 72.0499 2.55319 GPRESSURE: 3650000 -128.433 -127.874 -85.128 -42.0809 -25.9104 -27.8646 -73.1141 104.086 15.7236 PRESSAVG: 3650000 -28.5716 -56.429 27.1989 -56.429 66.0856 52.8888 27.1988 52.8888 -28.7685 GPRESSAVG: 3650000 -28.9562 -59.1811 28.0592 -56.8131 65.5216 52.3573 26.3786 52.5434 -27.6498 TIMING: 3650000 CPU: 10930.2, 0.00302519/step Wall: 10930.2, 0.00302519/step, 1.13445 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: 3650000 755.9913 2038.2811 1937.0061 101.2615 -205802.2504 17782.8251 0.0000 0.0000 34180.5445 -149006.3409 298.5072 -183186.8853 -148916.1230 299.5356 -77.5968 -46.2067 558260.5409 2.9152 2.9719 PRESSURE: 3650200 56.7583 125.29 108.472 125.29 275.385 221.511 108.471 221.511 -10.4213 GPRESSURE: 3650200 158.591 68.4707 204.305 141.639 241.438 172.907 108.671 195.828 16.74 PRESSAVG: 3650200 -38.1361 -0.239939 -13.7017 -0.239897 14.4779 -13.8931 -13.7017 -13.8932 40.5564 GPRESSAVG: 3650200 -37.3189 0.0427718 -12.2992 -0.636646 13.8913 -13.6849 -14.2331 -13.6864 40.1778 TIMING: 3650200 CPU: 10930.8, 0.00304478/step Wall: 10930.8, 0.00304478/step, 1.14162 hours remaining, 207.300781 MB of memory in use. ENERGY: 3650200 755.2546 2121.3321 1896.7036 108.6320 -206102.4426 17951.8752 0.0000 0.0000 34242.3561 -149026.2889 299.0470 -183268.6450 -148931.1756 299.9753 107.2408 138.9230 558341.0528 5.6327 5.5834 PRESSURE: 3650400 -183.768 -108.929 -26.189 -108.93 -156.421 -5.76812 -26.1893 -5.76738 -260.346 GPRESSURE: 3650400 -203.614 25.5415 -160.917 -203.395 -129.962 -27.8202 -37.9955 32.2789 -163.202 PRESSAVG: 3650400 6.92635 -51.1734 4.19235 -51.1734 35.2696 -12.5532 4.19225 -12.5532 -56.0509 GPRESSAVG: 3650400 6.22301 -48.6806 0.603714 -51.9524 36.5735 -13.2851 4.90477 -12.4109 -56.6447 TIMING: 3650400 CPU: 10931.4, 0.00301151/step Wall: 10931.4, 0.00301151/step, 1.12898 hours remaining, 207.300781 MB of memory in use. ENERGY: 3650400 755.9486 2016.9007 1928.8138 104.4234 -205748.7135 17512.9053 0.0000 0.0000 34406.4588 -149023.2628 300.4802 -183429.7216 -148923.3210 299.3491 -200.1781 -165.5927 559635.4205 -4.6183 -4.6161 PRESSURE: 3650600 -46.8052 74.6652 71.1363 74.6644 -15.8078 -30.6807 71.1357 -30.6794 160.285 GPRESSURE: 3650600 3.94606 78.0405 -10.9761 67.3262 15.3087 -51.3151 189.146 10.5464 182.079 PRESSAVG: 3650600 -101.656 -25.5572 4.70821 -25.5572 16.4369 37.8871 4.70812 37.887 65.1984 GPRESSAVG: 3650600 -100.953 -25.1435 6.49813 -24.1931 16.3393 38.4956 4.96097 39.0701 65.1351 TIMING: 3650600 CPU: 10932, 0.00308461/step Wall: 10932, 0.00308461/step, 1.15621 hours remaining, 207.300781 MB of memory in use. ENERGY: 3650600 779.7010 2061.0522 1933.0165 109.9518 -205905.9845 17742.5891 0.0000 0.0000 34297.6957 -148981.9782 299.5303 -183279.6739 -148890.4047 300.1387 32.5575 67.1112 557915.8742 -6.6736 -6.4929 PRESSURE: 3650800 -158.721 -116.554 191.489 -116.553 -88.6816 -74.1741 191.49 -74.175 -476.448 GPRESSURE: 3650800 -129.99 -144.935 145.626 14.9937 -129.152 -89.1109 261.788 -36.4272 -373.015 PRESSAVG: 3650800 -16.4627 -58.3963 15.4266 -58.3963 81.6634 37.2031 15.4266 37.203 -61.6617 GPRESSAVG: 3650800 -17.0305 -60.179 15.5503 -59.3323 80.3941 37.5763 16.8048 35.419 -59.6932 TIMING: 3650800 CPU: 10932.7, 0.00304709/step Wall: 10932.7, 0.00304709/step, 1.14198 hours remaining, 207.300781 MB of memory in use. ENERGY: 3650800 749.6391 2005.5305 1911.5423 105.4831 -205519.4251 17441.4153 0.0000 0.0000 34289.8993 -149015.9156 299.4622 -183305.8149 -148921.8827 299.8268 -241.2837 -210.7190 558697.5842 1.1797 1.2235 PRESSURE: 3651000 156.082 -64.075 -6.60584 -64.0742 43.8404 42.8995 -6.60423 42.8996 100.707 GPRESSURE: 3651000 244.817 -21.3885 37.8199 -135.399 65.9101 121.121 -66.0511 47.0966 100.016 PRESSAVG: 3651000 -9.40955 -57.2933 5.00896 -57.2933 -1.1021 40.7864 5.00894 40.7863 17.6275 GPRESSAVG: 3651000 -9.40523 -54.7668 5.3651 -57.6885 0.388007 40.1417 4.15154 41.8788 16.4024 TIMING: 3651000 CPU: 10933.3, 0.00303564/step Wall: 10933.3, 0.00303564/step, 1.13752 hours remaining, 207.300781 MB of memory in use. ENERGY: 3651000 727.9453 2086.6685 1917.7142 123.3795 -206176.7910 17882.8391 0.0000 0.0000 34336.7939 -149101.4504 299.8718 -183438.2443 -149006.1419 299.3352 100.2100 136.9143 557648.2363 2.3720 2.4617 PRESSURE: 3651200 6.64909 -177.291 -333.355 -177.293 74.8042 83.8186 -333.355 83.8209 -5.32024 GPRESSURE: 3651200 117.179 -113.493 -291.197 -274.531 21.883 40.8688 -317.559 110.831 32.8903 PRESSAVG: 3651200 20.4425 -46.1481 39.294 -46.1481 77.9811 -9.16258 39.294 -9.16248 -83.5965 GPRESSAVG: 3651200 20.48 -47.6461 40.611 -45.7265 77.1433 -9.63108 39.2723 -9.29143 -82.8688 TIMING: 3651200 CPU: 10933.9, 0.0030296/step Wall: 10933.9, 0.0030296/step, 1.13509 hours remaining, 207.300781 MB of memory in use. ENERGY: 3651200 717.5261 2086.8375 1925.0984 112.6822 -206134.7790 17822.8627 0.0000 0.0000 34412.9093 -149056.8627 300.5365 -183469.7720 -148967.5713 299.2277 25.3777 57.3176 556427.4902 4.9424 4.9182 PRESSURE: 3651400 52.9538 51.6502 -32.7776 51.6489 -3.37742 -38.9092 -32.7775 -38.9091 37.5954 GPRESSURE: 3651400 73.1457 57.3404 -53.9228 55.4614 3.74718 -32.6061 -7.66208 -82.621 98.273 PRESSAVG: 3651400 -43.7288 -32.6859 -12.7848 -32.6859 19.9429 -3.31417 -12.7848 -3.31419 -52.3681 GPRESSAVG: 3651400 -44.1069 -33.4259 -13.4116 -33.7468 21.2807 -3.67339 -14.8725 -3.8234 -53.5922 TIMING: 3651400 CPU: 10934.5, 0.00303385/step Wall: 10934.5, 0.00303385/step, 1.13651 hours remaining, 207.300781 MB of memory in use. ENERGY: 3651400 740.6138 2056.2478 1920.8002 106.3147 -205996.6430 17806.4182 0.0000 0.0000 34184.3358 -149181.9126 298.5403 -183366.2483 -149088.6894 299.3911 29.0573 58.3886 556047.4308 -25.3847 -25.4728 PRESSURE: 3651600 -122.048 21.7138 38.1534 21.7126 119.967 80.3065 38.1527 80.3048 185.106 GPRESSURE: 3651600 -92.2852 5.88114 55.8195 3.55312 145.18 -7.40516 63.6229 168.744 230.228 PRESSAVG: 3651600 -70.8046 -16.7976 82.5877 -16.7977 35.2302 34.2857 82.5878 34.2857 15.4319 GPRESSAVG: 3651600 -70.1699 -16.4685 80.8938 -14.7689 33.8243 34.4853 83.9893 33.7539 16.1288 TIMING: 3651600 CPU: 10935.1, 0.00306016/step Wall: 10935.1, 0.00306016/step, 1.1462 hours remaining, 207.300781 MB of memory in use. ENERGY: 3651600 741.0493 2097.5698 1932.6085 110.4847 -206510.1796 17930.5887 0.0000 0.0000 34469.0921 -149228.7866 301.0272 -183697.8787 -149126.5328 299.0766 61.0080 94.3746 556670.6074 -6.7142 -6.7389 PRESSURE: 3651800 -177.112 115.557 116.18 115.557 -152.616 -80.4547 116.18 -80.4535 -296.235 GPRESSURE: 3651800 -146.972 55.533 114.998 142.457 -127.084 -25.2205 80.4867 -66.3073 -250.102 PRESSAVG: 3651800 -65.8225 41.6505 21.281 41.6505 100.87 -18.1752 21.281 -18.1752 -4.44897 GPRESSAVG: 3651800 -67.1497 42.6178 21.2125 40.6063 101.107 -15.999 21.795 -18.2635 -3.26618 TIMING: 3651800 CPU: 10935.7, 0.00305439/step Wall: 10935.7, 0.00305439/step, 1.14387 hours remaining, 207.300781 MB of memory in use. ENERGY: 3651800 761.1874 2078.6045 1937.7102 109.1690 -205875.4898 17540.1521 0.0000 0.0000 34278.6781 -149169.9884 299.3642 -183448.6665 -149081.7301 299.5387 -208.6541 -174.7193 559295.1461 10.1994 10.2304 PRESSURE: 3652000 63.9452 10.9995 100.056 10.9999 172.381 -37.4189 100.057 -37.419 -149.238 GPRESSURE: 3652000 129.653 -147.282 59.8844 130.848 221.889 -73.7393 140.624 -48.1451 -172.955 PRESSAVG: 3652000 -1.76429 25.4227 22.5822 25.4228 39.5915 10.4993 22.5821 10.4992 -0.913647 GPRESSAVG: 3652000 -1.32659 23.1674 21.4768 26.6189 41.8684 8.6872 23.1039 10.0842 -3.299 TIMING: 3652000 CPU: 10936.3, 0.00305893/step Wall: 10936.3, 0.00305893/step, 1.1454 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: 3652000 694.9734 2063.4500 1929.1366 105.3992 -206233.0264 17831.0438 0.0000 0.0000 34319.6176 -149289.4057 299.7218 -183609.0233 -149194.0543 298.8604 29.0296 59.5294 558264.7321 12.3045 12.4143 PRESSURE: 3652200 167.489 8.36685 -35.1113 8.36733 -117.316 179.234 -35.1123 179.232 88.4823 GPRESSURE: 3652200 220.394 49.2492 3.07688 3.76523 -78.4096 79.0242 -19.3452 140.134 88.3224 PRESSAVG: 3652200 -48.4418 4.49823 30.4829 4.4982 73.6803 55.2029 30.4829 55.2029 -43.0717 GPRESSAVG: 3652200 -47.6494 7.92045 32.5986 1.75639 72.0149 56.3523 29.3768 55.4374 -41.6614 TIMING: 3652200 CPU: 10936.9, 0.00303966/step Wall: 10936.9, 0.00303966/step, 1.13801 hours remaining, 207.300781 MB of memory in use. ENERGY: 3652200 728.9179 2116.1017 1899.1352 121.3072 -206250.9450 17959.2828 0.0000 0.0000 34198.2330 -149227.9671 298.6617 -183426.2001 -149133.7342 299.0558 46.2185 76.7688 558729.1473 -5.9444 -5.7653 LDB: ============= START OF LOAD BALANCING ============== 10940.4 LDB: ============== END OF LOAD BALANCING =============== 10940.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10940.4 LDB: ============= START OF LOAD BALANCING ============== 10940.7 LDB: Largest compute 4820 load 0.026544 is 22.5% of average load 0.118102 LDB: Average compute 0.001731 is 1.5% of average load 0.118102 LDB: TIME 10940.7 LOAD: AVG 0.118102 MAX 0.218008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.891 MB LDB: TIME 10940.7 LOAD: AVG 0.118102 MAX 0.218008 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.895 MB LDB: TIME 10940.7 LOAD: AVG 0.118102 MAX 0.218008 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.895 MB LDB: ============== END OF LOAD BALANCING =============== 10940.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10940.7 PRESSURE: 3652400 -346.833 176.711 185.421 176.711 19.0258 -30.7238 185.423 -30.7233 -150.129 GPRESSURE: 3652400 -323.085 204.877 189.326 76.8439 95.7795 -45.2322 120.006 57.9407 -168.166 PRESSAVG: 3652400 -21.7447 -15.5705 77.2086 -15.5706 23.822 54.1489 77.2086 54.1488 33.9069 GPRESSAVG: 3652400 -22.6995 -16.0046 77.5556 -13.3374 24.8291 55.8349 78.4359 51.9839 33.6448 TIMING: 3652400 CPU: 10937.5, 0.00311088/step Wall: 10937.5, 0.00311088/step, 1.16451 hours remaining, 206.171875 MB of memory in use. ENERGY: 3652400 751.3765 2100.4518 1968.8847 107.3813 -206180.6200 17683.1746 0.0000 0.0000 34169.2468 -149400.1043 298.4085 -183569.3511 -149317.0815 298.7026 -159.3119 -131.8238 558821.9587 11.9947 11.9248 PRESSURE: 3652600 -185.292 78.635 -58.2671 78.6344 -267.071 59.2236 -58.2685 59.2249 -148.095 GPRESSURE: 3652600 -134.092 130.979 19.5248 4.86088 -262.88 37.2281 -90.5503 29.8733 -114.868 PRESSAVG: 3652600 52.6694 19.5784 2.60975 19.5783 -24.1721 11.4153 2.6097 11.4154 -57.2452 GPRESSAVG: 3652600 52.6468 19.9854 1.11038 18.096 -24.436 8.75867 2.79521 12.1339 -56.6184 TIMING: 3652600 CPU: 10938.2, 0.00305263/step Wall: 10938.2, 0.00305263/step, 1.14253 hours remaining, 206.171875 MB of memory in use. ENERGY: 3652600 741.4044 2088.1485 1958.3214 128.4986 -205988.2165 17500.1897 0.0000 0.0000 34244.6022 -149327.0517 299.0666 -183571.6539 -149226.1214 299.0387 -200.1525 -170.6134 558450.4297 -9.5827 -9.4692 PRESSURE: 3652800 168.471 -94.8505 -62.6237 -94.8496 365.351 54.4274 -62.623 54.4275 -38.3716 GPRESSURE: 3652800 168.507 -111.439 -114.664 -111.46 453.202 22.9887 -10.7236 19.2661 -32.3504 PRESSAVG: 3652800 12.875 9.82265 28.917 9.82269 75.0856 -18.3939 28.917 -18.3939 -60.4973 GPRESSAVG: 3652800 14.2344 9.11857 29.3485 10.8862 73.3243 -17.7641 27.4869 -16.1787 -59.7324 TIMING: 3652800 CPU: 10938.8, 0.00302753/step Wall: 10938.8, 0.00302753/step, 1.13297 hours remaining, 206.171875 MB of memory in use. ENERGY: 3652800 741.7290 2073.8403 1978.1230 104.0840 -206345.1018 17863.7201 0.0000 0.0000 34051.2817 -149532.3236 297.3783 -183583.6053 -149437.8118 298.5461 165.1502 196.4526 556621.4311 9.1544 9.2754 PRESSURE: 3653000 -140.129 -61.403 -38.1702 -61.4034 23.4291 -38.5271 -38.1718 -38.5255 1.97151 GPRESSURE: 3653000 -120.44 10.8753 63.8408 -45.1449 76.8585 -150.016 -119.649 76.8695 40.7224 PRESSAVG: 3653000 1.43809 -39.2349 -40.0221 -39.2349 103.96 29.1135 -40.022 29.1135 -70.3435 GPRESSAVG: 3653000 1.22603 -38.13 -40.2482 -39.5166 105.6 31.3328 -40.7253 27.7964 -71.3285 TIMING: 3653000 CPU: 10939.4, 0.00305712/step Wall: 10939.4, 0.00305712/step, 1.14387 hours remaining, 206.171875 MB of memory in use. ENERGY: 3653000 730.7298 2083.6426 1969.7581 117.4319 -206452.6547 17779.4877 0.0000 0.0000 34461.7941 -149309.8105 300.9634 -183771.6046 -149215.4418 298.6893 -38.2427 -0.9531 557278.5553 11.6848 11.8325 PRESSURE: 3653200 -118.286 -35.1352 3.81747 -35.1348 -111.269 76.2067 3.8171 76.2054 87.4128 GPRESSURE: 3653200 -103.442 -46.5219 57.1047 -40.7168 -89.5563 68.0201 -52.6502 31.6653 150.194 PRESSAVG: 3653200 -2.43917 4.93488 8.13891 4.93492 46.5676 50.9937 8.13895 50.9937 11.0818 GPRESSAVG: 3653200 -2.56981 2.94633 7.95961 5.27456 46.2675 49.4139 8.59021 50.0619 11.4736 TIMING: 3653200 CPU: 10940, 0.00300793/step Wall: 10940, 0.00300793/step, 1.1253 hours remaining, 206.171875 MB of memory in use. ENERGY: 3653200 742.0965 2020.9424 1957.9489 110.9354 -206487.9898 17815.3686 0.0000 0.0000 34383.7292 -149456.9687 300.2817 -183840.6980 -149357.0844 299.5926 -47.3808 -14.2680 555394.9855 18.4034 18.3904 PRESSURE: 3653400 -52.2239 -72.0332 142.77 -72.0336 -40.9966 -0.711037 142.768 -0.712285 -91.323 GPRESSURE: 3653400 19.4926 -32.7927 201.461 -121.458 -6.40749 5.94395 70.7218 25.6966 -109.801 PRESSAVG: 3653400 25.3772 38.4053 -39.6749 38.4053 -74.8166 42.4344 -39.6749 42.4343 25.4511 GPRESSAVG: 3653400 24.7498 37.567 -39.9799 38.7378 -73.1885 43.1502 -39.9899 42.9845 24.1795 TIMING: 3653400 CPU: 10940.6, 0.00303148/step Wall: 10940.6, 0.00303148/step, 1.13394 hours remaining, 206.171875 MB of memory in use. ENERGY: 3653400 691.4715 2075.6509 1950.9774 125.3753 -206296.8449 17779.1748 0.0000 0.0000 34217.9210 -149456.2741 298.8336 -183674.1951 -149362.7951 298.9812 -61.5145 -32.2386 557159.2417 -7.9961 -8.0864 PRESSURE: 3653600 -201.543 -9.36913 -155.875 -9.36907 -3.39686 -14.5129 -155.875 -14.5133 69.725 GPRESSURE: 3653600 -183.269 63.5409 -169.818 30.3885 46.3652 12 -98.6758 -11.89 98.9098 PRESSAVG: 3653600 -14.3266 25.5527 -25.1262 25.5527 55.0678 -52.8963 -25.1262 -52.8964 -39.4048 GPRESSAVG: 3653600 -13.2634 28.1874 -25.1452 24.6132 53.6074 -54.0174 -24.029 -50.7258 -39.0607 TIMING: 3653600 CPU: 10941.2, 0.0030437/step Wall: 10941.2, 0.0030437/step, 1.13834 hours remaining, 206.171875 MB of memory in use. ENERGY: 3653600 727.0650 2084.5399 1963.5238 120.2916 -206307.3138 17736.7135 0.0000 0.0000 34274.2049 -149400.9749 299.3252 -183675.1798 -149305.0256 298.8879 -45.0716 -12.6646 556436.3297 0.4454 0.4278 PRESSURE: 3653800 -312.23 63.3677 -157.089 63.3668 9.37252 122.11 -157.09 122.111 -51.3134 GPRESSURE: 3653800 -226.287 -14.2016 -112.852 79.5987 2.53164 125.462 -146.74 104.634 -40.54 PRESSAVG: 3653800 50.9557 30.8917 -67.2015 30.8917 34.1025 -50.5928 -67.2016 -50.5929 -41.1147 GPRESSAVG: 3653800 51.5578 29.3008 -67.9467 31.9824 33.7397 -48.8826 -67.449 -53.4446 -40.9197 TIMING: 3653800 CPU: 10941.8, 0.00306961/step Wall: 10941.8, 0.00306961/step, 1.14786 hours remaining, 206.171875 MB of memory in use. ENERGY: 3653800 765.1922 2102.6594 1948.1831 113.5176 -206382.7120 17795.7380 0.0000 0.0000 34227.8968 -149429.5249 298.9207 -183657.4217 -149327.2393 299.1995 -118.0570 -88.0986 558026.4460 14.6478 14.7926 PRESSURE: 3654000 -29.3539 51.6404 120.363 51.6393 -83.5168 -158.152 120.363 -158.152 39.3595 GPRESSURE: 3654000 9.25171 8.40814 78.5667 51.5519 16.8732 -158.643 196.798 -120.843 -23.7712 PRESSAVG: 3654000 -19.2496 66.7234 38.9399 66.7235 24.52 30.7283 38.9397 30.7283 -5.70868 GPRESSAVG: 3654000 -18.8447 67.3238 38.1972 65.2551 25.6852 29.0016 39.3493 29.6018 -7.44204 TIMING: 3654000 CPU: 10942.4, 0.00309907/step Wall: 10942.4, 0.00309907/step, 1.15871 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: 3654000 765.6303 2102.6695 1941.5733 108.0389 -206610.6893 18050.3431 0.0000 0.0000 34215.3615 -149427.0727 298.8113 -183642.4342 -149328.1981 298.6817 -24.5037 0.7846 557857.4645 -0.1461 -0.2005 PRESSURE: 3654200 -248.722 50.0062 57.1957 50.0061 -21.902 113.893 57.198 113.894 -122.642 GPRESSURE: 3654200 -208.807 9.90732 123.009 54.3693 -17.6437 104.462 37.3312 64.9781 -56.082 PRESSAVG: 3654200 -20.7806 -41.6405 -33.9181 -41.6405 94.85 28.9385 -33.9181 28.9386 -96.8254 GPRESSAVG: 3654200 -21.1119 -39.9045 -30.1993 -41.1927 94.0359 27.6954 -36.2467 31.6014 -94.9479 TIMING: 3654200 CPU: 10943, 0.00309014/step Wall: 10943, 0.00309014/step, 1.1552 hours remaining, 206.203125 MB of memory in use. ENERGY: 3654200 783.5723 2051.1159 1929.4674 115.1465 -206108.6780 17668.9820 0.0000 0.0000 34210.8873 -149349.5066 298.7722 -183560.3938 -149246.9751 298.9486 -131.0885 -94.1777 558164.4046 -7.5853 -7.3413 PRESSURE: 3654400 29.0288 -157.863 68.7565 -157.863 110.966 -145.538 68.7562 -145.539 -319.976 GPRESSURE: 3654400 71.6314 -99.6968 105.271 -117.319 107.792 -201.292 -34.0716 -76.9997 -263.808 PRESSAVG: 3654400 -14.7994 -36.9856 20.8146 -36.9856 104.23 31.3331 20.8146 31.3331 -72.5389 GPRESSAVG: 3654400 -15.3513 -37.5501 18.8686 -37.6182 104.816 33.7087 20.3533 30.3871 -72.6917 TIMING: 3654400 CPU: 10943.7, 0.0030902/step Wall: 10943.7, 0.0030902/step, 1.15505 hours remaining, 206.203125 MB of memory in use. ENERGY: 3654400 726.8725 2061.1935 1948.8512 111.0873 -206152.1817 17632.8543 0.0000 0.0000 34192.5004 -149478.8226 298.6116 -183671.3229 -149380.1315 298.8920 -59.9935 -28.1284 557726.4812 5.6306 5.5909 PRESSURE: 3654600 -202.74 -184.985 9.10319 -184.984 -118.883 -72.0246 9.10425 -72.0249 -57.0464 GPRESSURE: 3654600 -213.909 -202.073 -82.9165 -258.041 -52.623 -33.2044 -3.68912 -150.36 -21.4783 PRESSAVG: 3654600 12.4459 13.5011 67.252 13.5013 -17.2001 -45.6283 67.2521 -45.6282 41.5377 GPRESSAVG: 3654600 12.1776 12.529 66.5366 16.6756 -16.8941 -45.4947 69.4935 -46.8916 41.4858 TIMING: 3654600 CPU: 10944.3, 0.00306049/step Wall: 10944.3, 0.00306049/step, 1.14377 hours remaining, 206.203125 MB of memory in use. ENERGY: 3654600 749.3703 2102.6111 1921.2118 112.7827 -205688.4755 17442.4953 0.0000 0.0000 34069.6020 -149290.4023 297.5383 -183360.0043 -149198.6666 299.1484 -126.2229 -96.0035 557568.9803 12.2612 12.2565 PRESSURE: 3654800 -24.7988 10.3603 25.9146 10.3599 -179.482 -63.8012 25.9151 -63.799 124.516 GPRESSURE: 3654800 -1.85224 41.1299 16.5672 -10.2347 -76.1228 -98.1113 -11.7113 -12.6386 94.9135 PRESSAVG: 3654800 34.9005 7.12442 3.32513 7.12438 15.4803 -6.38921 3.32514 -6.3892 1.2844 GPRESSAVG: 3654800 35.1407 8.6271 4.53299 7.62399 14.8745 -7.06815 2.4487 -4.59206 1.23948 TIMING: 3654800 CPU: 10944.9, 0.00307466/step Wall: 10944.9, 0.00307466/step, 1.1489 hours remaining, 206.203125 MB of memory in use. ENERGY: 3654800 750.2504 2070.8194 1969.6553 117.5760 -206239.7104 17733.6142 0.0000 0.0000 34451.7384 -149146.0566 300.8756 -183597.7951 -149046.6819 299.1589 -26.5883 5.6461 556300.5543 17.2217 17.0849 PRESSURE: 3655000 -153.85 -30.4432 62.5131 -30.4427 3.12187 145.671 62.5131 145.671 167.591 GPRESSURE: 3655000 -86.7189 -50.9794 -7.49937 -36.6158 17.0214 210.655 146.86 43.8916 195.429 PRESSAVG: 3655000 55.0758 -11.0572 -21.6603 -11.0571 -25.0616 32.4614 -21.6604 32.4614 -10.4938 GPRESSAVG: 3655000 55.5584 -12.0211 -22.5234 -12.4782 -25.3582 30.9338 -20.6077 34.1181 -10.6492 TIMING: 3655000 CPU: 10945.5, 0.00306562/step Wall: 10945.5, 0.00306562/step, 1.14535 hours remaining, 206.203125 MB of memory in use. ENERGY: 3655000 763.7838 2110.5118 1937.6139 104.4447 -206120.6923 17845.2773 0.0000 0.0000 34312.1621 -149046.8988 299.6566 -183359.0609 -148953.7632 299.5095 5.6211 41.9104 556810.6798 6.5068 6.5170 PRESSURE: 3655200 -113.211 53.6276 -91.0145 53.6273 -65.0986 -26.623 -91.0144 -26.6235 91.3393 GPRESSURE: 3655200 -78.3795 41.5843 -18.9935 105.288 -52.2869 -75.0002 -153.219 -16.349 132.895 PRESSAVG: 3655200 -62.8707 8.71196 -43.6369 8.71186 -8.04647 -39.6157 -43.6369 -39.6157 48.1666 GPRESSAVG: 3655200 -63.2734 9.86101 -43.5815 9.02776 -8.08868 -39.5685 -43.6371 -41.8074 48.3873 TIMING: 3655200 CPU: 10946.1, 0.0030509/step Wall: 10946.1, 0.0030509/step, 1.13968 hours remaining, 206.203125 MB of memory in use. ENERGY: 3655200 763.1345 2157.0096 1941.4246 120.0109 -205982.7469 17692.3303 0.0000 0.0000 34196.0105 -149112.8264 298.6423 -183308.8370 -149027.0819 299.1740 -28.9900 0.7429 556679.9871 -7.5835 -7.6583 PRESSURE: 3655400 -136.448 -0.178337 -9.49475 -0.179796 -133.159 -86.8065 -9.49466 -86.8075 174.526 GPRESSURE: 3655400 -120.959 -20.2421 41.979 29.1665 -50.9808 -68.2396 -18.3008 35.5566 173.996 PRESSAVG: 3655400 -33.4135 -85.4539 39.8046 -85.454 12.7944 -40.2422 39.8046 -40.2422 8.69534 GPRESSAVG: 3655400 -34.4884 -85.8742 38.9862 -86.5878 14.9216 -38.065 40.0102 -37.7778 7.66405 TIMING: 3655400 CPU: 10946.7, 0.00308933/step Wall: 10946.7, 0.00308933/step, 1.15386 hours remaining, 206.203125 MB of memory in use. ENERGY: 3655400 789.0708 2070.7256 1928.8287 109.6015 -206112.2457 17729.5096 0.0000 0.0000 34296.4264 -149188.0831 299.5192 -183484.5096 -149091.9248 299.5635 -31.6935 0.6856 556531.8353 -3.9746 -3.9676 PRESSURE: 3655600 -94.0651 148.593 -27.143 148.593 -132.693 -59.6439 -27.1423 -59.6441 86.6513 GPRESSURE: 3655600 -35.6009 92.2548 -35.7856 161.796 -104.282 -39.4752 -54.1488 -54.2885 107.299 PRESSAVG: 3655600 -11.5814 -8.97276 13.1185 -8.97286 -52.5118 -2.22326 13.1185 -2.22334 19.0688 GPRESSAVG: 3655600 -10.7228 -9.57905 13.1542 -7.31185 -54.7696 -2.32833 12.9534 -3.83446 20.9163 TIMING: 3655600 CPU: 10947.3, 0.00308018/step Wall: 10947.3, 0.00308018/step, 1.15028 hours remaining, 206.203125 MB of memory in use. ENERGY: 3655600 747.6815 2116.5912 1952.7866 102.8735 -206108.6635 17711.7491 0.0000 0.0000 34286.5193 -149190.4622 299.4327 -183476.9815 -149098.0727 298.9067 -46.7022 -10.8613 556875.1892 -15.0081 -14.8587 PRESSURE: 3655800 10.9428 -77.925 94.8485 -77.9245 86.5737 9.18187 94.8487 9.18041 105.718 GPRESSURE: 3655800 59.5502 -127.402 43.6893 -46.3931 121.982 8.29717 150.326 -55.5369 112.851 PRESSAVG: 3655800 39.6463 -15.2597 -1.51863 -15.2596 42.3722 -5.11542 -1.51869 -5.11543 -30.2422 GPRESSAVG: 3655800 38.6519 -14.8863 -2.61195 -15.825 44.5552 -5.52405 -1.92263 -6.32108 -31.4296 TIMING: 3655800 CPU: 10948, 0.00308083/step Wall: 10948, 0.00308083/step, 1.15035 hours remaining, 206.203125 MB of memory in use. ENERGY: 3655800 744.3298 2089.0367 1954.0998 111.0840 -206484.1019 17868.6689 0.0000 0.0000 34554.4384 -149162.4443 301.7725 -183716.8827 -149061.7205 299.5721 67.7448 98.1278 557180.1662 17.2588 17.2592 PRESSURE: 3656000 -174.618 102.938 91.3432 102.938 101.313 -162.349 91.3435 -162.349 -68.5849 GPRESSURE: 3656000 -140.883 41.9033 59.2667 119.954 151.061 -116.661 120.472 -163.797 -57.7907 PRESSAVG: 3656000 -44.1006 17.0561 38.1898 17.0562 14.0954 17.1346 38.1897 17.1346 29.4785 GPRESSAVG: 3656000 -42.9177 18.0548 39.1551 15.6285 12.3495 19.1666 39.6348 16.5564 30.0064 TIMING: 3656000 CPU: 10948.6, 0.00307889/step Wall: 10948.6, 0.00307889/step, 1.14945 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: 3656000 707.3908 2070.4467 1952.8578 116.9020 -206003.4426 17737.7470 0.0000 0.0000 34367.5141 -149050.5841 300.1400 -183418.0982 -148952.5678 299.1000 -47.2965 -15.8712 558712.9512 -0.1756 -0.1873 PRESSURE: 3656200 -32.2063 -5.40258 20.2376 -5.40266 -159.689 -25.3965 20.2389 -25.3976 -138.39 GPRESSURE: 3656200 6.25356 103.532 -43.1641 -36.3838 -183.129 9.57584 72.274 -5.11094 -48.244 PRESSAVG: 3656200 71.2182 47.6693 -4.38112 47.6693 -13.835 -14.137 -4.38122 -14.1371 -53.3733 GPRESSAVG: 3656200 70.4905 46.0668 -4.55645 48.4436 -12.5464 -14.6163 -3.58559 -14.7131 -53.6687 TIMING: 3656200 CPU: 10949.2, 0.00306594/step Wall: 10949.2, 0.00306594/step, 1.14445 hours remaining, 206.203125 MB of memory in use. ENERGY: 3656200 773.2197 2113.0265 1918.2243 106.5075 -205907.1105 17768.1028 0.0000 0.0000 34234.8047 -148993.2252 298.9811 -183228.0298 -148897.8977 299.8965 -110.0952 -75.0397 558181.5480 1.3366 1.4252 LDB: ============= START OF LOAD BALANCING ============== 10952.6 LDB: ============== END OF LOAD BALANCING =============== 10952.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10952.6 LDB: ============= START OF LOAD BALANCING ============== 10952.9 LDB: Largest compute 4820 load 0.026776 is 22.7% of average load 0.118064 LDB: Average compute 0.001733 is 1.5% of average load 0.118064 LDB: TIME 10952.9 LOAD: AVG 0.118064 MAX 0.216391 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.52 MB LDB: TIME 10952.9 LOAD: AVG 0.118064 MAX 0.216391 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.523 MB LDB: TIME 10952.9 LOAD: AVG 0.118064 MAX 0.216391 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10952.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10952.9 PRESSURE: 3656400 -50.5313 175.791 -85.4498 175.793 199.774 -93.9904 -85.4496 -93.9911 35.1916 GPRESSURE: 3656400 28.3449 208.891 65.607 129.083 211.231 -54.792 -193.857 -120.613 41.7279 PRESSAVG: 3656400 -44.7708 67.9292 -42.3122 67.9292 39.4116 -14.8959 -42.3121 -14.8959 -1.08087 GPRESSAVG: 3656400 -45.1754 68.8056 -42.1618 69.0176 39.1355 -14.5988 -44.7866 -14.1089 0.371726 TIMING: 3656400 CPU: 10949.8, 0.00310507/step Wall: 10949.8, 0.00310507/step, 1.15888 hours remaining, 206.707031 MB of memory in use. ENERGY: 3656400 768.7891 2038.0047 1945.8865 108.0614 -206347.0721 18075.3085 0.0000 0.0000 34446.4990 -148964.5229 300.8298 -183411.0219 -148865.8683 299.6235 61.4781 93.7679 556614.4016 -2.1467 -1.8894 PRESSURE: 3656600 -17.9901 69.3445 7.72836 69.3455 166.841 -68.8322 7.72946 -68.8318 -100.536 GPRESSURE: 3656600 14.5089 -64.2071 -25.5035 142.208 162.067 -70.0742 56.1062 -11.1801 -43.8607 PRESSAVG: 3656600 -80.1839 68.485 -41.24 68.485 63.7707 -66.2995 -41.24 -66.2995 -20.1963 GPRESSAVG: 3656600 -79.0153 69.8276 -41.3337 67.0689 63.6391 -68.0182 -39.6055 -64.0735 -21.3707 TIMING: 3656600 CPU: 10950.4, 0.00302833/step Wall: 10950.4, 0.00302833/step, 1.13007 hours remaining, 206.906250 MB of memory in use. ENERGY: 3656600 768.1644 2134.5463 1929.2317 122.7353 -206137.8202 17917.7012 0.0000 0.0000 34393.6494 -148871.7919 300.3683 -183265.4412 -148774.4188 300.1282 16.1050 44.2385 558967.5630 -12.2032 -12.2490 PRESSURE: 3656800 -116.747 -166.012 -7.65115 -166.012 24.1657 -140.195 -7.65015 -140.195 -94.8269 GPRESSURE: 3656800 -108.7 -108.469 51.2858 -179.68 104.322 -183.804 -9.55165 -124.497 -86.0572 PRESSAVG: 3656800 -14.2488 -14.5628 -13.5828 -14.5629 78.7829 -13.365 -13.5829 -13.365 -34.4504 GPRESSAVG: 3656800 -13.5121 -16.0397 -13.5279 -14.2485 77.9877 -12.4288 -13.1752 -15.8962 -34.0876 TIMING: 3656800 CPU: 10951, 0.00304942/step Wall: 10951, 0.00304942/step, 1.13777 hours remaining, 206.906250 MB of memory in use. ENERGY: 3656800 722.2819 2112.3362 1943.1506 110.0648 -205737.5317 17611.4846 0.0000 0.0000 34397.4488 -148840.7647 300.4015 -183238.2135 -148748.4843 300.4122 -62.4694 -30.1451 558894.6873 10.0279 10.1293 PRESSURE: 3657000 386.84 -117.274 6.56776 -117.274 -75.5744 151.917 6.568 151.918 -19.2797 GPRESSURE: 3657000 375.259 -148.734 -38.6796 -71.5895 11.2598 90.2985 39.0522 190.247 7.03146 PRESSAVG: 3657000 0.126407 -17.3281 34.1327 -17.3281 30.1619 31.1134 34.1327 31.1134 -16.4761 GPRESSAVG: 3657000 -0.995337 -15.3386 32.8894 -17.4523 31.9675 29.8739 33.5852 33.0589 -16.4692 TIMING: 3657000 CPU: 10951.6, 0.00305324/step Wall: 10951.6, 0.00305324/step, 1.13903 hours remaining, 206.906250 MB of memory in use. ENERGY: 3657000 757.0905 2131.1311 1946.0728 117.3552 -205873.0610 17905.5138 0.0000 0.0000 34248.4178 -148767.4798 299.1000 -183015.8976 -148673.5369 300.3640 97.3287 131.1833 557031.7493 4.6041 4.8343 PRESSURE: 3657200 214.508 28.6485 -75.6899 28.6481 -132.971 69.5283 -75.69 69.5284 -48.5192 GPRESSURE: 3657200 255.738 8.45586 -54.0942 82.2404 -133.693 60.8098 -28.8533 134.036 2.772 PRESSAVG: 3657200 -16.8998 -1.11646 -14.373 -1.11645 53.5697 8.37091 -14.373 8.37089 -37.5021 GPRESSAVG: 3657200 -16.5953 -1.50938 -14.6163 0.0952171 53.6771 5.89756 -13.8265 9.32581 -38.2806 TIMING: 3657200 CPU: 10952.2, 0.00307612/step Wall: 10952.2, 0.00307612/step, 1.14739 hours remaining, 206.906250 MB of memory in use. ENERGY: 3657200 736.2798 2036.0429 1950.7503 113.2414 -206274.9727 17861.7856 0.0000 0.0000 34412.7036 -149164.1692 300.5347 -183576.8727 -149062.9851 300.0667 11.0058 41.6059 557443.0650 -0.2774 -0.3996 PRESSURE: 3657400 106.79 -64.6446 88.7151 -64.6443 83.9821 -182.121 88.715 -182.12 -197.335 GPRESSURE: 3657400 153.319 -96.4106 148.109 35.8426 86.6548 -145.326 33.4324 -135.567 -159.457 PRESSAVG: 3657400 -40.0666 46.706 -12.9092 46.706 -23.8964 -8.90846 -12.9092 -8.90842 46.4443 GPRESSAVG: 3657400 -39.575 45.3994 -11.8428 45.6609 -25.7313 -6.35758 -13.4333 -8.30002 48.2303 TIMING: 3657400 CPU: 10952.9, 0.0030939/step Wall: 10952.9, 0.0030939/step, 1.15385 hours remaining, 206.906250 MB of memory in use. ENERGY: 3657400 689.3097 2055.7555 1920.3241 128.1277 -205848.9943 17701.3348 0.0000 0.0000 34212.3503 -149141.7923 298.7850 -183354.1426 -149041.6099 298.5239 -2.1876 26.8389 558171.6151 -5.8396 -5.6920 PRESSURE: 3657600 33.9014 43.9627 193.841 43.9623 -108.794 128.032 193.841 128.03 -195.395 GPRESSURE: 3657600 93.0434 82.2409 130.175 43.9901 -89.9827 -9.92676 77.6818 171.713 -177.804 PRESSAVG: 3657600 -6.44321 30.326 -11.4442 30.326 14.0643 -24.4488 -11.4443 -24.449 -21.5923 GPRESSAVG: 3657600 -7.61893 30.8729 -13.1932 29.6424 15.0612 -24.7666 -13.4086 -24.7415 -22.1012 TIMING: 3657600 CPU: 10953.5, 0.00305914/step Wall: 10953.5, 0.00305914/step, 1.14072 hours remaining, 206.906250 MB of memory in use. ENERGY: 3657600 780.8448 2036.3911 1931.4736 99.7192 -206194.1168 17731.5394 0.0000 0.0000 34439.0685 -149175.0804 300.7650 -183614.1489 -149077.5418 299.6381 -90.0959 -58.2477 557583.1944 -4.6571 -4.8863 PRESSURE: 3657800 -210.683 92.7187 70.7961 92.7184 128.726 153.952 70.7968 153.952 -70.3966 GPRESSURE: 3657800 -103.733 8.96586 137.904 125.13 84.3661 139.965 72.8925 180.959 -43.6911 PRESSAVG: 3657800 -38.2034 51.0776 18.9698 51.0775 26.4025 38.6588 18.9698 38.6588 -31.6272 GPRESSAVG: 3657800 -37.4658 49.1039 21.7098 52.0358 26.5124 38.6434 19.8349 38.9727 -31.8034 TIMING: 3657800 CPU: 10954.1, 0.00305663/step Wall: 10954.1, 0.00305663/step, 1.13961 hours remaining, 206.906250 MB of memory in use. ENERGY: 3657800 739.6197 2067.3227 1966.7898 114.4327 -205940.4042 17732.9360 0.0000 0.0000 34169.9345 -149149.3687 298.4145 -183319.3032 -149056.1394 300.2214 -50.7846 -21.0192 558511.5576 -14.4760 -14.2523 PRESSURE: 3658000 -197.874 6.69523 35.3796 6.69565 -8.40633 193.799 35.3789 193.799 -216.09 GPRESSURE: 3658000 -101.12 114.045 115.364 54.0232 7.62272 183.343 73.2775 254.219 -219.842 PRESSAVG: 3658000 -10.2532 42.312 31.7329 42.312 -26.0488 24.5663 31.7329 24.5663 26.9291 GPRESSAVG: 3658000 -10.2659 43.5442 31.1828 42.4395 -26.5858 24.2357 31.0078 23.2608 27.6105 TIMING: 3658000 CPU: 10954.7, 0.00305668/step Wall: 10954.7, 0.00305668/step, 1.13946 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: 3658000 726.6347 2012.2416 1950.3038 123.3148 -206296.1381 18026.2891 0.0000 0.0000 34343.5329 -149113.8213 299.9306 -183457.3542 -149019.6941 299.7369 -140.7902 -104.4464 559724.7099 -3.1243 -3.0804 PRESSURE: 3658200 -33.2042 147.222 5.65122 147.224 -30.075 -30.845 5.65127 -30.8456 -61.2088 GPRESSURE: 3658200 17.1528 130.954 33.8016 168.648 26.8895 63.0803 9.98345 -8.85924 -81.8178 PRESSAVG: 3658200 -54.9505 1.97852 6.74416 1.97854 50.7643 19.3222 6.74402 19.3222 -15.1413 GPRESSAVG: 3658200 -54.9649 2.16499 6.13869 2.49403 50.5224 20.5961 8.22386 19.1325 -14.8889 TIMING: 3658200 CPU: 10955.3, 0.00304078/step Wall: 10955.3, 0.00304078/step, 1.13337 hours remaining, 206.906250 MB of memory in use. ENERGY: 3658200 765.4056 2051.1040 1949.6041 112.1893 -206462.7393 18016.0398 0.0000 0.0000 34359.5825 -149208.8141 300.0708 -183568.3966 -149114.6871 299.5994 -41.4960 -12.5918 558200.5708 -6.4425 -6.4438 PRESSURE: 3658400 30.6364 -48.449 -14.5389 -48.4493 28.2205 72.4283 -14.5385 72.4267 78.8968 GPRESSURE: 3658400 45.674 -81.219 -6.3123 -58.7747 124.839 65.7778 23.7509 105.708 60.1824 PRESSAVG: 3658400 -16.6031 -10.034 18.5797 -10.034 1.39062 -6.78675 18.5796 -6.78664 1.4898 GPRESSAVG: 3658400 -16.7679 -10.4046 18.2561 -9.21525 1.80291 -7.90604 16.8413 -6.32384 1.12668 TIMING: 3658400 CPU: 10955.9, 0.00306321/step Wall: 10955.9, 0.00306321/step, 1.14156 hours remaining, 206.906250 MB of memory in use. ENERGY: 3658400 747.0821 2119.2334 1939.8708 115.5980 -206520.4529 17815.4479 0.0000 0.0000 34519.0807 -149264.1400 301.4637 -183783.2207 -149167.7717 299.4987 45.9179 76.8986 556837.6073 -4.5742 -4.6128 PRESSURE: 3658600 242.665 178.89 182.765 178.891 -128.92 81.7002 182.766 81.7014 -6.79941 GPRESSURE: 3658600 263.811 212.077 231.554 179.601 -65.8604 64.9879 253.689 136.506 13.8258 PRESSAVG: 3658600 35.7352 13.5452 60.3518 13.5452 -41.0221 -23.3455 60.3519 -23.3455 19.3343 GPRESSAVG: 3658600 36.697 14.9826 60.0723 10.8625 -41.0198 -20.2045 61.4116 -24.7199 18.6872 TIMING: 3658600 CPU: 10956.5, 0.00306879/step Wall: 10956.5, 0.00306879/step, 1.14347 hours remaining, 206.906250 MB of memory in use. ENERGY: 3658600 760.5876 2068.4185 1981.8326 107.6206 -206275.0300 17780.1013 0.0000 0.0000 34232.6429 -149343.8265 298.9622 -183576.4694 -149246.5577 299.3664 35.6486 70.5923 556908.8758 4.6825 4.7881 PRESSURE: 3658800 -178.247 -43.8421 -45.6074 -43.8427 -157.77 77.8722 -45.6072 77.8713 10.8943 GPRESSURE: 3658800 -112.56 -84.7846 42.2232 -54.4968 -146.817 71.7746 -93.7326 112.206 33.7808 PRESSAVG: 3658800 -1.90939 -25.8047 24.7803 -25.8047 -28.8929 42.8439 24.7803 42.8439 49.9752 GPRESSAVG: 3658800 -2.73264 -26.7868 23.4687 -23.1982 -29.5516 37.9086 27.7161 44.0259 51.0292 TIMING: 3658800 CPU: 10957.1, 0.00306541/step Wall: 10957.1, 0.00306541/step, 1.14204 hours remaining, 206.906250 MB of memory in use. ENERGY: 3658800 748.9707 2101.7259 1952.8366 103.6695 -206201.9504 17618.0483 0.0000 0.0000 34213.2367 -149463.4628 298.7927 -183676.6995 -149372.4189 298.3900 -108.3741 -75.1990 557010.8663 6.3910 6.2483 PRESSURE: 3659000 157.023 125.497 51.2663 125.496 -87.1105 -126.16 51.2659 -126.16 38.8709 GPRESSURE: 3659000 141.974 46.8184 84.7566 123.789 -22.6954 -60.9773 87.6157 -167.63 80.664 PRESSAVG: 3659000 42.2689 -24.6696 -4.67463 -24.6696 -28.3758 -58.6467 -4.67463 -58.6467 -2.59438 GPRESSAVG: 3659000 42.7752 -25.4944 -2.50253 -26.0742 -28.788 -56.2392 -7.00686 -59.2583 -2.57468 TIMING: 3659000 CPU: 10957.8, 0.00305504/step Wall: 10957.8, 0.00305504/step, 1.138 hours remaining, 206.906250 MB of memory in use. ENERGY: 3659000 786.0398 2062.3805 1977.5061 112.4511 -206752.3784 18034.5015 0.0000 0.0000 34114.0489 -149665.4506 297.9265 -183779.4994 -149571.0069 298.2457 36.2612 66.6474 556768.5472 3.7663 3.8042 PRESSURE: 3659200 192.689 -49.8203 -29.9508 -49.8202 80.6618 -66.771 -29.9513 -66.7707 -100.15 GPRESSURE: 3659200 251.113 -90.232 40.0445 40.025 120.72 12.9774 -55.3378 -157.01 -105.297 PRESSAVG: 3659200 87.896 -21.5025 -23.976 -21.5024 -56.4587 -11.986 -23.976 -11.986 27.025 GPRESSAVG: 3659200 88.2942 -21.3762 -25.2192 -21.1373 -56.7087 -13.6684 -25.0799 -10.544 27.2348 TIMING: 3659200 CPU: 10958.4, 0.0030486/step Wall: 10958.4, 0.0030486/step, 1.13543 hours remaining, 206.906250 MB of memory in use. ENERGY: 3659200 733.6682 2059.9167 1963.9565 121.8756 -206920.4273 18155.9723 0.0000 0.0000 34207.9955 -149677.0426 298.7469 -183885.0381 -149579.1106 298.4766 57.7336 88.8452 556798.6877 19.4875 19.6068 PRESSURE: 3659400 188.663 213.976 43.2089 213.975 16.7392 -6.79332 43.2094 -6.7933 130.674 GPRESSURE: 3659400 214.234 272.73 49.4669 127.74 30.52 10.2858 95.4545 -61.8005 198.021 PRESSAVG: 3659400 34.2214 -19.0416 12.3798 -19.0416 22.3261 -63.5571 12.3798 -63.5569 -55.2003 GPRESSAVG: 3659400 33.3177 -18.0546 10.8724 -19.8023 23.563 -62.1052 13.7058 -63.1816 -55.4677 TIMING: 3659400 CPU: 10959, 0.00305743/step Wall: 10959, 0.00305743/step, 1.13855 hours remaining, 206.906250 MB of memory in use. ENERGY: 3659400 727.7306 2125.1859 1951.1156 116.5183 -206866.5118 18179.7391 0.0000 0.0000 34108.5720 -149657.6503 297.8786 -183766.2222 -149559.1414 298.2854 112.0255 147.5917 556017.0179 0.4491 0.4710 PRESSURE: 3659600 12.6785 -32.1319 -261.175 -32.132 90.804 -67.3786 -261.175 -67.3804 167.579 GPRESSURE: 3659600 89.3558 22.381 -229.947 -54.08 95.914 -58.1352 -236.482 -32.8727 178.642 PRESSAVG: 3659600 82.289 55.1514 44.5655 55.1513 -33.9828 1.79528 44.5655 1.79529 -36.7762 GPRESSAVG: 3659600 83.9425 55.0891 47.5002 54.2867 -35.6927 0.031917 43.8615 1.56996 -35.9388 TIMING: 3659600 CPU: 10959.6, 0.00306904/step Wall: 10959.6, 0.00306904/step, 1.14271 hours remaining, 206.906250 MB of memory in use. ENERGY: 3659600 744.2218 2067.9359 1939.9563 101.6053 -206506.3560 17850.5526 0.0000 0.0000 34123.5158 -149678.5684 298.0092 -183802.0842 -149584.0071 298.0724 90.3539 121.3038 557393.7016 3.8433 4.1037 PRESSURE: 3659800 -152.61 129.257 -26.8988 129.256 41.5237 70.2939 -26.9 70.296 -77.1271 GPRESSURE: 3659800 -102.861 100.325 -18.7962 75.6279 60.3786 23.2448 -60.6429 70.9614 -57.1049 PRESSAVG: 3659800 70.8067 55.5439 -44.3394 55.5439 12.3309 -47.3463 -44.3393 -47.3462 -36.6511 GPRESSAVG: 3659800 69.9391 55.8131 -44.3497 54.7849 13.0886 -45.8993 -45.8355 -46.545 -36.0831 TIMING: 3659800 CPU: 10960.2, 0.00306491/step Wall: 10960.2, 0.00306491/step, 1.141 hours remaining, 206.906250 MB of memory in use. ENERGY: 3659800 770.7368 2071.2470 1960.3412 121.5370 -206562.0662 17849.6652 0.0000 0.0000 34192.8446 -149595.6944 298.6146 -183788.5390 -149496.3567 297.9438 -62.7379 -33.1958 558813.4084 15.4955 15.6482 PRESSURE: 3660000 -385.269 64.5071 -137.813 64.5082 -171.956 -16.3944 -137.812 -16.3941 -171.088 GPRESSURE: 3660000 -346.047 106.05 -16.058 -27.6533 -82.3599 -33.5575 -214.901 -39.6495 -201.935 PRESSAVG: 3660000 4.18214 -21.3725 -20.7103 -21.3725 51.6396 31.929 -20.7103 31.9291 -34.4116 GPRESSAVG: 3660000 4.90627 -22.1914 -21.7311 -18.4514 51.8399 31.8417 -19.3796 31.2557 -35.3823 TIMING: 3660000 CPU: 10960.8, 0.00303805/step Wall: 10960.8, 0.00303805/step, 1.13083 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: 3660000 732.5364 2140.4931 1942.8809 120.1623 -206069.3217 17493.6670 0.0000 0.0000 33960.2222 -149679.3598 296.5831 -183639.5819 -149578.9697 298.8196 -242.7711 -210.1141 558538.5858 7.1367 7.1213 PRESSURE: 3660200 140.66 95.2265 36.4786 95.2264 322.252 139.995 36.4786 139.995 -44.2535 GPRESSURE: 3660200 164.205 146.097 24.2499 70.4574 394.392 81.612 76.5148 108.496 -47.1632 PRESSAVG: 3660200 7.96374 -7.09435 4.57184 -7.09423 47.9939 9.97831 4.5719 9.97837 -32.1599 GPRESSAVG: 3660200 6.15042 -6.06872 5.38389 -9.13448 48.9176 9.15179 5.24585 10.6542 -31.2688 TIMING: 3660200 CPU: 10961.4, 0.00304071/step Wall: 10961.4, 0.00304071/step, 1.13165 hours remaining, 206.906250 MB of memory in use. ENERGY: 3660200 743.3313 2084.7503 1963.5041 102.5990 -206895.6734 18309.8309 0.0000 0.0000 34079.4403 -149612.2175 297.6242 -183691.6578 -149521.7444 298.0356 139.5530 170.4777 558106.7331 7.9326 7.9331 LDB: ============= START OF LOAD BALANCING ============== 10964.9 LDB: ============== END OF LOAD BALANCING =============== 10964.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10964.9 LDB: ============= START OF LOAD BALANCING ============== 10965.2 LDB: Largest compute 4820 load 0.026786 is 22.7% of average load 0.118020 LDB: Average compute 0.001727 is 1.5% of average load 0.118020 LDB: TIME 10965.2 LOAD: AVG 0.11802 MAX 0.218745 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.27 MB LDB: TIME 10965.2 LOAD: AVG 0.11802 MAX 0.218745 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.273 MB LDB: TIME 10965.2 LOAD: AVG 0.11802 MAX 0.218745 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10965.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10965.2 PRESSURE: 3660400 -303.154 -70.5017 -136.969 -70.5029 -362.934 18.7864 -136.969 18.7881 11.6192 GPRESSURE: 3660400 -300.765 -60.9964 -105.186 -69.3272 -267.794 76.0959 -150.172 -10.4393 8.26469 PRESSAVG: 3660400 -114.554 -9.24391 14.477 -9.24383 74.6317 34.9973 14.477 34.9973 -25.3157 GPRESSAVG: 3660400 -113.357 -9.85907 11.841 -9.11695 74.2279 37.6756 14.5487 32.0157 -25.7297 TIMING: 3660400 CPU: 10962, 0.0030968/step Wall: 10962, 0.0030968/step, 1.15235 hours remaining, 205.433594 MB of memory in use. ENERGY: 3660400 781.9514 2024.0201 1917.9881 119.0111 -206175.7060 17612.3286 0.0000 0.0000 34158.2414 -149562.1654 298.3124 -183720.4068 -149469.2637 297.8554 -218.1560 -186.7650 558485.2218 -21.7461 -21.6197 PRESSURE: 3660600 9.31775 86.1494 -103.209 86.1478 -322.726 103.878 -103.21 103.878 -316.491 GPRESSURE: 3660600 1.15324 123.458 -145.746 102.894 -234.866 142.557 -88.3403 46.6309 -292.448 PRESSAVG: 3660600 -24.2077 -15.7649 -26.1753 -15.765 2.10311 12.5077 -26.1752 12.5077 5.53046 GPRESSAVG: 3660600 -24.3416 -16.6223 -23.7726 -13.8011 1.69909 10.8198 -26.7323 14.744 5.61912 TIMING: 3660600 CPU: 10962.7, 0.00304231/step Wall: 10962.7, 0.00304231/step, 1.13191 hours remaining, 205.433594 MB of memory in use. ENERGY: 3660600 722.9858 2112.6604 1929.2290 114.9509 -206189.8499 17644.1370 0.0000 0.0000 34199.6081 -149466.2786 298.6737 -183665.8867 -149363.6642 298.1558 -209.9665 -175.3868 558846.5418 -5.5247 -5.6745 PRESSURE: 3660800 -96.0695 77.8093 25.2549 77.8094 -173.081 32.3692 25.2553 32.3711 -128.316 GPRESSURE: 3660800 -10.9952 109.446 -18.2085 70.7302 -165.679 -68.6595 4.11224 92.4617 -128.833 PRESSAVG: 3660800 66.5366 4.45287 -19.5182 4.45294 -14.8193 32.3848 -19.5183 32.3848 -32.1099 GPRESSAVG: 3660800 66.8876 5.69611 -18.7714 2.98261 -14.3528 31.2953 -21.3569 33.8863 -32.1696 TIMING: 3660800 CPU: 10963.3, 0.00306798/step Wall: 10963.3, 0.00306798/step, 1.14129 hours remaining, 205.433594 MB of memory in use. ENERGY: 3660800 723.0954 2072.7371 1952.9998 103.6729 -206197.0611 17608.7845 0.0000 0.0000 34067.3179 -149668.4534 297.5184 -183735.7713 -149571.5959 297.9725 -132.4891 -101.8355 557819.4595 6.5358 6.7884 PRESSURE: 3661000 -177.188 18.7293 -114.848 18.7285 -100.266 71.7382 -114.846 71.7378 177.583 GPRESSURE: 3661000 -147.231 30.1479 -84.4358 6.69086 -48.4698 2.00073 -69.4885 10.0754 193.324 PRESSAVG: 3661000 45.1071 53.8153 18.9028 53.8152 -53.8684 36.0356 18.9029 36.0357 -15.2669 GPRESSAVG: 3661000 46.095 54.3283 18.4171 54.6668 -54.1792 37.1831 19.9626 33.3737 -16.1143 TIMING: 3661000 CPU: 10963.9, 0.00307172/step Wall: 10963.9, 0.00307172/step, 1.14251 hours remaining, 205.433594 MB of memory in use. ENERGY: 3661000 768.2617 2037.5372 1978.7179 111.7179 -205937.9486 17667.4846 0.0000 0.0000 33951.5948 -149422.6345 296.5077 -183374.2293 -149330.4081 298.0022 -33.2904 -0.7922 558181.7975 -8.0094 -8.0662 PRESSURE: 3661200 92.2035 -4.10314 98.1267 -4.10233 -216.934 -74.7353 98.126 -74.734 -123.141 GPRESSURE: 3661200 48.3645 -66.5414 50.2721 84.0038 -117.239 -124.334 23.8241 -20.007 -88.5191 PRESSAVG: 3661200 22.7589 -10.6267 -24.2462 -10.6266 -70.8461 9.77146 -24.2461 9.77158 53.3674 GPRESSAVG: 3661200 21.3079 -14.2982 -27.3019 -8.92717 -69.8774 9.76607 -23.5406 10.3667 53.5416 TIMING: 3661200 CPU: 10964.5, 0.00306645/step Wall: 10964.5, 0.00306645/step, 1.14038 hours remaining, 205.433594 MB of memory in use. ENERGY: 3661200 774.2985 2068.1340 1922.4965 113.0801 -206388.0811 17867.4314 0.0000 0.0000 34147.0459 -149495.5948 298.2146 -183642.6407 -149395.9781 298.1647 -82.6240 -52.4644 557265.9894 1.7601 1.6573 PRESSURE: 3661400 33.2895 -4.30909 -39.8117 -4.30972 -31.2366 -12.1377 -39.8122 -12.1366 50.2465 GPRESSURE: 3661400 80.7472 99.402 -90.5597 -6.9438 -40.6236 21.005 -43.3687 -41.2482 106.164 PRESSAVG: 3661400 31.4905 13.1189 -0.662841 13.1188 24.3615 -2.60615 -0.662926 -2.6061 -9.67563 GPRESSAVG: 3661400 31.7426 15.8953 2.76314 12.1565 24.0112 -1.39261 -0.467111 -2.40395 -9.48782 TIMING: 3661400 CPU: 10965.1, 0.00305716/step Wall: 10965.1, 0.00305716/step, 1.13675 hours remaining, 205.433594 MB of memory in use. ENERGY: 3661400 727.9167 2088.2511 1950.0898 106.6558 -206682.7487 17980.0214 0.0000 0.0000 34340.3435 -149489.4704 299.9028 -183829.8139 -149394.8863 298.8740 17.4331 48.7625 556681.4753 15.3921 15.4220 PRESSURE: 3661600 -338.943 53.9075 40.4242 53.9071 -6.1429 79.8117 40.424 79.8111 -104.762 GPRESSURE: 3661600 -247.141 -9.75834 85.5787 128.725 -58.0514 38.6539 50.6418 52.6167 -44.5986 PRESSAVG: 3661600 48.5234 21.8636 -56.0337 21.8637 -23.1902 39.028 -56.0337 39.028 -0.104618 GPRESSAVG: 3661600 48.1169 19.8436 -55.5613 19.5567 -23.5262 37.408 -57.2532 40.593 0.812864 TIMING: 3661600 CPU: 10965.7, 0.00306942/step Wall: 10965.7, 0.00306942/step, 1.14114 hours remaining, 205.433594 MB of memory in use. ENERGY: 3661600 715.7864 2087.7210 1962.4839 101.9286 -205920.6714 17410.3219 0.0000 0.0000 34106.5703 -149535.8593 297.8612 -183642.4296 -149449.9268 298.1893 -149.9491 -116.5971 557788.7137 8.4095 8.4678 PRESSURE: 3661800 -290.88 20.9623 147.425 20.9624 288.281 111.408 147.426 111.408 -163.028 GPRESSURE: 3661800 -251.142 38.883 142.792 149.976 298.207 111.884 155.978 105.237 -120.822 PRESSAVG: 3661800 -46.9491 7.23834 60.0856 7.23838 46.4959 33.8541 60.0856 33.8539 -0.84549 GPRESSAVG: 3661800 -45.9764 10.4363 57.5789 8.88656 45.9718 35.2875 62.9045 30.2533 -0.540687 TIMING: 3661800 CPU: 10966.3, 0.00303798/step Wall: 10966.3, 0.00303798/step, 1.12928 hours remaining, 205.433594 MB of memory in use. ENERGY: 3661800 736.6018 2081.0183 1977.0771 122.6733 -206546.0853 17830.1943 0.0000 0.0000 34256.6334 -149541.8871 299.1717 -183798.5205 -149444.8306 298.4168 -55.2091 -24.5855 556671.2586 -0.4329 -0.1818 PRESSURE: 3662000 75.0052 -44.512 176.88 -44.5122 190.453 -310.989 176.88 -310.989 -8.27381 GPRESSURE: 3662000 136.198 -134.608 180.703 -18.886 214.907 -404.408 168.049 -328.637 -2.53025 PRESSAVG: 3662000 30.8033 -12.6636 84.311 -12.6636 15.9673 -56.5629 84.3109 -56.5628 -17.6761 GPRESSAVG: 3662000 29.6117 -15.4208 83.4298 -10.8316 16.5859 -58.9881 83.5012 -53.7402 -17.1629 TIMING: 3662000 CPU: 10966.9, 0.00303339/step Wall: 10966.9, 0.00303339/step, 1.12741 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: 3662000 660.7634 2128.7278 1956.4172 105.8046 -206383.9333 17821.8823 0.0000 0.0000 34064.6551 -149645.6829 297.4951 -183710.3380 -149549.1395 298.1493 85.7283 116.1915 557300.4667 9.6981 9.6782 PRESSURE: 3662200 -58.2647 5.18945 134.981 5.18768 -158.804 -72.6731 134.98 -72.6741 292.152 GPRESSURE: 3662200 -49.9235 42.5851 46.6093 38.5477 -95.8608 -4.46385 151.02 -145.795 312.19 PRESSAVG: 3662200 12.9228 -20.8753 65.0052 -20.8754 -28.3449 -11.4995 65.0052 -11.4995 -18.6854 GPRESSAVG: 3662200 13.0283 -19.0276 67.4855 -22.0178 -29.0057 -8.05797 63.7662 -14.2228 -18.4962 TIMING: 3662200 CPU: 10967.5, 0.00305844/step Wall: 10967.5, 0.00305844/step, 1.13655 hours remaining, 205.433594 MB of memory in use. ENERGY: 3662200 736.1062 2025.4611 1935.0800 102.6123 -206497.6684 17899.9157 0.0000 0.0000 34012.9891 -149785.5040 297.0439 -183798.4931 -149687.3394 297.5217 25.0278 55.4687 557629.1953 -11.3691 -11.4912 PRESSURE: 3662400 -122.673 -77.6225 -36.0555 -77.6235 21.9325 107.171 -36.0568 107.171 161.708 GPRESSURE: 3662400 -110.107 -33.0596 55.9763 -63.3441 127.359 88.237 -123.429 131.859 142.999 PRESSAVG: 3662400 -11.6539 30.7448 30.385 30.7448 16.7257 -9.36817 30.3851 -9.36814 7.38696 GPRESSAVG: 3662400 -10.9702 30.7965 30.5344 29.5911 16.9045 -10.8719 30.2764 -6.96821 6.29688 TIMING: 3662400 CPU: 10968.2, 0.00304716/step Wall: 10968.2, 0.00304716/step, 1.13219 hours remaining, 205.433594 MB of memory in use. ENERGY: 3662400 751.0929 2065.4790 1961.6542 100.0193 -206494.5415 17938.2629 0.0000 0.0000 33854.5225 -149823.5107 295.6600 -183678.0333 -149728.5854 296.9593 20.3224 53.4170 558304.1776 4.1529 4.0771 PRESSURE: 3662600 -13.5914 -29.239 118.073 -29.2389 -101.778 -115.126 118.073 -115.126 -103.847 GPRESSURE: 3662600 20.676 -124.116 155.378 58.7396 -103.367 -118.829 29.5466 -166.924 -41.4566 PRESSAVG: 3662600 -40.3368 0.640408 28.3769 0.640398 34.9232 -7.18458 28.3769 -7.18452 16.6061 GPRESSAVG: 3662600 -40.6483 -0.0571759 28.2892 2.74023 35.2822 -5.91871 27.859 -7.69254 16.4115 TIMING: 3662600 CPU: 10968.8, 0.00308731/step Wall: 10968.8, 0.00308731/step, 1.14694 hours remaining, 205.433594 MB of memory in use. ENERGY: 3662600 737.0417 2043.8137 1946.8315 99.8290 -206434.4071 17712.4111 0.0000 0.0000 34101.0424 -149793.4376 297.8129 -183894.4800 -149702.1250 297.9127 -73.0722 -41.3825 555912.2184 3.7308 3.6818 PRESSURE: 3662800 -37.1114 94.4611 155.203 94.4619 -267.651 162.656 155.203 162.654 155.981 GPRESSURE: 3662800 34.6151 158.929 124.697 136.221 -240.601 122.414 125.66 117.333 173.398 PRESSAVG: 3662800 14.4467 -6.57715 83.1439 -6.57703 10.5478 -7.54393 83.1438 -7.54393 -30.3059 GPRESSAVG: 3662800 14.6681 -7.06041 83.6851 -8.06145 10.7485 -7.77654 82.7818 -6.49411 -31.071 TIMING: 3662800 CPU: 10969.4, 0.0031012/step Wall: 10969.4, 0.0031012/step, 1.15192 hours remaining, 205.433594 MB of memory in use. ENERGY: 3662800 768.3837 2016.8964 1937.9277 116.8743 -206565.4944 17826.6007 0.0000 0.0000 34103.5952 -149795.2164 297.8352 -183898.8116 -149698.6320 298.2105 -49.5937 -10.8626 557093.4816 -1.7705 -1.8848 PRESSURE: 3663000 145.125 -116.121 105.864 -116.121 -38.8618 -256.016 105.865 -256.017 -267.178 GPRESSURE: 3663000 163.739 -77.0011 169.238 -164.636 -57.462 -294.352 57.787 -276.334 -184.715 PRESSAVG: 3663000 -37.4593 43.5242 -14.8878 43.5241 22.4393 -11.6785 -14.8878 -11.6784 -54.8604 GPRESSAVG: 3663000 -37.5376 44.5055 -15.7258 42.777 20.2366 -13.2962 -13.7203 -12.8925 -52.2317 TIMING: 3663000 CPU: 10970, 0.0030691/step Wall: 10970, 0.0030691/step, 1.13983 hours remaining, 205.433594 MB of memory in use. ENERGY: 3663000 742.8603 2121.8631 1972.8462 110.1822 -206759.7753 17800.7083 0.0000 0.0000 34076.9885 -149934.3266 297.6028 -184011.3151 -149839.6596 297.2204 -53.6382 -26.1461 556506.6651 -23.2935 -23.1776 PRESSURE: 3663200 -162.512 -43.934 197.412 -43.9332 -271.956 -132.699 197.414 -132.7 -318.202 GPRESSURE: 3663200 -145.776 -89.9264 166.482 17.3938 -208.021 -92.5969 244.148 -222.778 -303.062 PRESSAVG: 3663200 36.0983 -6.9644 3.03747 -6.96439 -35.7029 -20.4082 3.03744 -20.4082 23.4343 GPRESSAVG: 3663200 35.8656 -6.38515 4.80125 -6.21812 -34.6788 -17.2546 1.3525 -20.5571 22.4141 TIMING: 3663200 CPU: 10970.6, 0.00301998/step Wall: 10970.6, 0.00301998/step, 1.12142 hours remaining, 205.433594 MB of memory in use. ENERGY: 3663200 720.9044 2069.9899 1939.4358 115.0922 -206375.7960 17577.4111 0.0000 0.0000 33960.2586 -149992.7040 296.5834 -183952.9626 -149900.1646 297.1719 -250.8902 -218.9532 557360.5133 7.9432 7.8670 PRESSURE: 3663400 -10.994 -73.401 -27.2019 -73.4018 -274.888 113.669 -27.2018 113.669 -378.47 GPRESSURE: 3663400 -27.9579 -142.829 -26.9375 -24.8448 -199.189 179.436 -58.0764 52.4957 -342.672 PRESSAVG: 3663400 -2.80425 -23.065 -2.20844 -23.0649 6.39155 2.99937 -2.20844 2.99932 8.43753 GPRESSAVG: 3663400 -2.37938 -24.7839 -5.25112 -22.463 6.58075 0.419728 -0.0997137 3.57244 7.56323 TIMING: 3663400 CPU: 10971.2, 0.00303397/step Wall: 10971.2, 0.00303397/step, 1.12644 hours remaining, 205.433594 MB of memory in use. ENERGY: 3663400 753.5820 2043.5074 1945.1488 123.7962 -206396.6390 17730.3325 0.0000 0.0000 33965.0218 -149835.2502 296.6250 -183800.2720 -149736.7316 296.8587 -221.4509 -189.9396 558191.3786 4.0083 3.9215 PRESSURE: 3663600 43.4307 -49.2289 120.236 -49.2297 39.5197 200.192 120.236 200.192 -35.6541 GPRESSURE: 3663600 60.7807 -125.879 118.417 -94.2561 92.338 108.104 152.402 164.517 -6.56229 PRESSAVG: 3663600 8.34172 -68.5505 93.7239 -68.5505 -19.1455 32.7327 93.7239 32.7326 -2.27949 GPRESSAVG: 3663600 7.14756 -67.0165 93.4081 -70.3758 -19.2416 31.7716 93.6229 34.1447 -1.20381 TIMING: 3663600 CPU: 10971.8, 0.00304115/step Wall: 10971.8, 0.00304115/step, 1.12894 hours remaining, 205.433594 MB of memory in use. ENERGY: 3663600 723.7338 2022.5000 1938.7019 106.3390 -206495.2493 17822.7393 0.0000 0.0000 34067.3149 -149813.9205 297.5183 -183881.2354 -149722.3236 297.4567 15.7654 48.8521 557674.5581 -4.3611 -4.4326 PRESSURE: 3663800 -139.54 -175.997 -66.6942 -175.998 126.001 -63.7715 -66.6948 -63.7721 88.4345 GPRESSURE: 3663800 -101.075 -100.715 -25.804 -205.781 182.282 -64.1777 -68.4581 -45.5794 73.9067 PRESSAVG: 3663800 3.5744 19.8175 32.0563 19.8177 -6.67025 31.0749 32.0564 31.0749 11.7532 GPRESSAVG: 3663800 4.40784 20.3973 31.9211 21.2059 -6.91276 30.8911 31.167 29.8753 11.6623 TIMING: 3663800 CPU: 10972.4, 0.00303698/step Wall: 10972.4, 0.00303698/step, 1.12722 hours remaining, 205.433594 MB of memory in use. ENERGY: 3663800 765.5762 2017.9283 1944.7112 118.3459 -206850.0082 18214.3967 0.0000 0.0000 33997.3601 -149791.6898 296.9074 -183789.0498 -149694.0936 297.0606 24.9651 51.7044 558612.2981 2.8858 3.0525 PRESSURE: 3664000 -349.878 -29.9159 -182.222 -29.9172 -76.9535 -83.0543 -182.222 -83.0533 -80.4616 GPRESSURE: 3664000 -316.172 112.53 -233.196 -147.141 -55.6852 -49.4142 -175.023 -111.13 -32.9664 PRESSAVG: 3664000 -12.3058 -10.0701 -24.4159 -10.0702 22.9827 10.2129 -24.4159 10.2129 -30.5287 GPRESSAVG: 3664000 -11.9589 -12.6709 -24.3125 -8.86467 23.1646 10.9229 -23.9127 12.0147 -30.9522 TIMING: 3664000 CPU: 10973, 0.00304977/step Wall: 10973, 0.00304977/step, 1.13181 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: 3664000 737.2148 2006.2801 1939.9997 110.3235 -206274.7981 17657.3100 0.0000 0.0000 34043.8728 -149779.7973 297.3136 -183823.6701 -149676.7649 297.5460 -169.0977 -134.9412 558670.8918 -6.6173 -6.5821 PRESSURE: 3664200 -13.497 -79.1436 -112.141 -79.1439 0.343752 -213.518 -112.142 -213.519 35.4417 GPRESSURE: 3664200 49.2256 -173.449 -53.7972 -27.6212 -16.2991 -252.142 -142.045 -133.503 88.6811 PRESSAVG: 3664200 3.40058 7.22748 74.5739 7.22742 -11.3641 -20.6135 74.5739 -20.6135 21.23 GPRESSAVG: 3664200 2.88154 7.16372 75.1802 6.82858 -10.6623 -20.3803 74.0061 -24.1147 20.6871 TIMING: 3664200 CPU: 10973.7, 0.00304149/step Wall: 10973.7, 0.00304149/step, 1.12856 hours remaining, 205.433594 MB of memory in use. ENERGY: 3664200 755.9166 2057.6468 1957.9779 103.9828 -206268.4480 17849.2449 0.0000 0.0000 33965.2624 -149578.4166 296.6271 -183543.6790 -149489.7564 297.7874 7.4295 40.5359 557191.4314 4.4222 4.3021 LDB: ============= START OF LOAD BALANCING ============== 10977.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 10977.1 LDB: =============== DONE WITH MIGRATION ================ 10977.1 LDB: ============= START OF LOAD BALANCING ============== 10977.4 LDB: Largest compute 4820 load 0.026213 is 22.2% of average load 0.118073 LDB: Average compute 0.001727 is 1.5% of average load 0.118073 LDB: TIME 10977.4 LOAD: AVG 0.118073 MAX 0.220236 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 10977.4 LOAD: AVG 0.118073 MAX 0.220236 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.777 MB LDB: TIME 10977.4 LOAD: AVG 0.118073 MAX 0.220236 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.777 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 10977.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10977.4 PRESSURE: 3664400 -126.429 -118.922 -40.4612 -118.92 17.7301 102.106 -40.4628 102.107 -29.9366 GPRESSURE: 3664400 -107.534 -160.407 -107.939 -67.0605 5.56693 106.91 -59.1415 78.7343 61.6744 PRESSAVG: 3664400 30.5291 -27.3313 13.556 -27.3312 -17.9196 -35.5088 13.556 -35.5088 38.8479 GPRESSAVG: 3664400 29.8106 -26.9845 12.0635 -26.2017 -19.3916 -35.7437 14.671 -34.2522 41.4951 TIMING: 3664400 CPU: 10974.3, 0.00308294/step Wall: 10974.3, 0.00308294/step, 1.14377 hours remaining, 206.457031 MB of memory in use. ENERGY: 3664400 737.7566 2068.6625 1968.1072 122.9409 -206246.4706 17556.3111 0.0000 0.0000 34197.8458 -149594.8465 298.6583 -183792.6924 -149509.1011 298.5726 -46.2120 -13.4308 555519.2352 17.1525 17.3047 PRESSURE: 3664600 -144.918 4.41942 -12.9481 4.41988 113.721 10.9172 -12.9485 10.9172 -286.063 GPRESSURE: 3664600 -0.0893532 -57.8847 -64.4825 106.921 52.6163 60.4573 19.2332 52.7358 -250.414 PRESSAVG: 3664600 -12.919 -35.1983 -31.7696 -35.1983 8.61498 53.4522 -31.7697 53.4522 3.68174 GPRESSAVG: 3664600 -11.2338 -35.0887 -30.5665 -34.7554 8.66045 53.5047 -31.6265 52.7767 2.12545 TIMING: 3664600 CPU: 10974.9, 0.00304016/step Wall: 10974.9, 0.00304016/step, 1.12773 hours remaining, 206.660156 MB of memory in use. ENERGY: 3664600 748.4218 2054.1812 1907.6807 109.8051 -206220.4206 17825.7958 0.0000 0.0000 34284.9244 -149289.6116 299.4188 -183574.5360 -149199.3889 299.0995 -105.7535 -65.9623 557298.4127 -0.2074 -0.1493 PRESSURE: 3664800 137.902 134.74 -151.756 134.741 127.325 153.345 -151.756 153.343 82.2388 GPRESSURE: 3664800 147.657 187.192 -136.829 82.7727 188.838 154.306 -160.632 115.357 110.399 PRESSAVG: 3664800 -4.4455 29.2329 -28.8616 29.2329 -21.878 -33.4673 -28.8616 -33.4673 12.8091 GPRESSAVG: 3664800 -6.23261 26.7622 -27.6006 28.5028 -21.3718 -32.1694 -30.9139 -33.4063 13.7398 TIMING: 3664800 CPU: 10975.5, 0.00301383/step Wall: 10975.5, 0.00301383/step, 1.1178 hours remaining, 206.660156 MB of memory in use. ENERGY: 3664800 708.5479 2091.0060 1923.7162 121.4219 -206476.0688 17995.5292 0.0000 0.0000 34266.5173 -149369.3304 299.2580 -183635.8477 -149275.1297 298.9604 115.8218 148.9645 556109.9600 -4.5048 -4.6215 PRESSURE: 3665000 162.567 -57.0821 -7.98492 -57.0832 -332.017 -28.897 -7.98568 -28.8962 27.5201 GPRESSURE: 3665000 204.851 -39.4517 -5.05752 -103.19 -330.087 -82.7961 -40.3041 10.494 90.9518 PRESSAVG: 3665000 -1.61015 -52.2151 48.9498 -52.2152 -27.6108 -9.50932 48.9498 -9.50925 44.1237 GPRESSAVG: 3665000 -1.25906 -48.9531 46.3889 -54.8435 -26.8737 -9.3373 49.6909 -9.26358 43.1751 TIMING: 3665000 CPU: 10976.1, 0.0030631/step Wall: 10976.1, 0.0030631/step, 1.1359 hours remaining, 206.660156 MB of memory in use. ENERGY: 3665000 754.1218 2061.3476 1935.7134 117.5558 -205743.6192 17532.5397 0.0000 0.0000 34322.8031 -149019.5378 299.7496 -183342.3409 -148933.2304 299.1518 -47.3099 -11.4281 556822.0725 4.9676 5.0141 PRESSURE: 3665200 -69.9293 -134.144 34.3321 -134.143 121.999 -110.193 34.3325 -110.193 160.427 GPRESSURE: 3665200 -35.8661 -157.082 102.112 -98.9967 141.349 -120.073 65.8249 -141.024 203.159 PRESSAVG: 3665200 34.7309 -46.4171 6.06499 -46.4172 -68.7357 -38.9106 6.06493 -38.9106 31.0759 GPRESSAVG: 3665200 35.3263 -46.0169 6.67113 -45.7201 -68.8949 -41.6585 8.02031 -38.8997 31.4582 TIMING: 3665200 CPU: 10976.7, 0.0030268/step Wall: 10976.7, 0.0030268/step, 1.12227 hours remaining, 206.660156 MB of memory in use. ENERGY: 3665200 764.1147 2066.5939 1945.2529 99.4558 -206136.6575 17878.0687 0.0000 0.0000 34314.3471 -149068.8244 299.6757 -183383.1715 -148973.5908 299.6933 70.8322 102.8805 556145.7648 -0.9763 -0.7035 PRESSURE: 3665400 75.6856 101.274 24.0489 101.275 -171.036 16.44 24.048 16.4388 119.655 GPRESSURE: 3665400 54.459 52.3019 -38.415 88.6452 -113.076 62.9166 60.6911 71.5419 184.052 PRESSAVG: 3665400 28.3862 -4.20167 61.259 -4.20163 -20.0097 16.1036 61.2591 16.1034 -32.1518 GPRESSAVG: 3665400 28.0154 -6.90635 62.9285 -2.44548 -20.6638 16.0685 58.9968 15.8792 -30.784 TIMING: 3665400 CPU: 10977.3, 0.00304298/step Wall: 10977.3, 0.00304298/step, 1.1281 hours remaining, 206.660156 MB of memory in use. ENERGY: 3665400 707.6232 2083.7256 1979.8418 119.7241 -205978.5643 17661.9590 0.0000 0.0000 34384.1401 -149041.5504 300.2852 -183425.6905 -148946.6222 300.0833 8.1016 41.8119 557910.8669 -7.9251 -7.8108 PRESSURE: 3665600 326.282 133.56 -77.7995 133.559 -67.1132 138.06 -77.7989 138.059 141.401 GPRESSURE: 3665600 406.694 196.69 -77.226 125.97 -141.999 137.127 -79.7102 9.33655 216.907 PRESSAVG: 3665600 34.1139 7.13161 -12.104 7.13166 -67.2213 -27.3978 -12.104 -27.3977 48.7525 GPRESSAVG: 3665600 34.237 7.56306 -13.2682 6.35618 -66.3603 -25.9037 -11.3553 -28.9105 47.6182 TIMING: 3665600 CPU: 10977.9, 0.00303681/step Wall: 10977.9, 0.00303681/step, 1.12565 hours remaining, 206.660156 MB of memory in use. ENERGY: 3665600 697.2365 2102.9635 1956.7762 115.0836 -205886.2128 17658.4909 0.0000 0.0000 34209.1637 -149146.4984 298.7571 -183355.6621 -149051.0336 299.3845 133.5233 160.5342 555481.5511 5.2150 5.1650 PRESSURE: 3665800 -184.113 89.1371 2.68256 89.1362 -210.757 52.1901 2.68246 52.1905 147.542 GPRESSURE: 3665800 -163.128 163.733 5.891 102.551 -157.069 -49.6346 7.12999 64.9891 178.704 PRESSAVG: 3665800 45.168 49.4328 3.84382 49.4327 -33.7665 -13.6639 3.84371 -13.6639 6.55761 GPRESSAVG: 3665800 44.8746 49.9776 5.52136 48.2634 -33.6497 -13.3686 3.42478 -9.2969 6.93414 TIMING: 3665800 CPU: 10978.5, 0.00306876/step Wall: 10978.5, 0.00306876/step, 1.13732 hours remaining, 206.660156 MB of memory in use. ENERGY: 3665800 737.7916 2067.6523 1941.0346 107.2182 -205665.0123 17450.8385 0.0000 0.0000 34052.1301 -149308.3471 297.3857 -183360.4772 -149216.6261 299.5746 -82.4427 -47.1645 557623.9664 5.9864 6.0530 PRESSURE: 3666000 -95.0837 -72.5919 -42.9666 -72.5918 123.959 19.9135 -42.9655 19.9133 -59.1696 GPRESSURE: 3666000 -68.8325 -62.2678 -121.76 -10.6164 147.553 -20.0413 -41.5763 130.766 -7.76908 PRESSAVG: 3666000 -41.6025 -33.9541 -30.6997 -33.9541 61.9283 44.128 -30.6997 44.128 -19.4365 GPRESSAVG: 3666000 -42.5003 -33.5922 -32.3274 -31.9225 62.303 42.9501 -29.8283 41.0708 -19.1727 TIMING: 3666000 CPU: 10979.1, 0.00305388/step Wall: 10979.1, 0.00305388/step, 1.13163 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: 3666000 738.0048 2076.7121 1934.2903 120.7465 -206328.1204 17852.0567 0.0000 0.0000 34302.6038 -149303.7062 299.5732 -183606.3100 -149205.3429 299.0591 -10.0982 23.6505 557987.9720 0.2964 0.2100 PRESSURE: 3666200 -238.742 -25.2073 -123.863 -25.2073 -95.0648 22.8427 -123.861 22.8438 39.9043 GPRESSURE: 3666200 -183.365 -134.436 -67.4457 27.3167 -90.1666 -2.39702 -84.8322 146.138 73.108 PRESSAVG: 3666200 -33.7621 -34.9055 0.0760153 -34.9056 48.0108 25.9316 0.0759952 25.9317 -35.5853 GPRESSAVG: 3666200 -31.3843 -33.5255 0.0845641 -38.3778 46.3664 26.9144 0.681684 25.8652 -36.5385 TIMING: 3666200 CPU: 10979.7, 0.00303762/step Wall: 10979.7, 0.00303762/step, 1.12544 hours remaining, 206.660156 MB of memory in use. ENERGY: 3666200 735.1043 2100.6010 1931.4628 130.5424 -206214.8335 17851.7371 0.0000 0.0000 34061.7544 -149403.6313 297.4698 -183465.3857 -149298.7907 299.0442 -97.9675 -66.8079 558852.0643 -7.1122 -7.1854 PRESSURE: 3666400 -261.346 8.7205 107.986 8.7208 61.7446 149.974 107.986 149.976 -376.231 GPRESSURE: 3666400 -199.376 15.048 121.375 -8.1944 16.6232 119.504 97.2632 129.163 -290.599 PRESSAVG: 3666400 -45.3711 -25.6233 -45.9503 -25.6232 -23.5697 -22.4529 -45.9503 -22.453 49.6241 GPRESSAVG: 3666400 -46.4856 -25.9644 -47.1765 -23.7736 -22.6863 -20.763 -44.9413 -23.0172 50.2761 TIMING: 3666400 CPU: 10980.4, 0.00303574/step Wall: 10980.4, 0.00303574/step, 1.12457 hours remaining, 206.660156 MB of memory in use. ENERGY: 3666400 773.4385 2056.9072 1943.9456 109.8145 -205883.1646 17584.8868 0.0000 0.0000 34080.7353 -149333.4367 297.6355 -183414.1720 -149237.7147 298.5697 -191.9444 -157.7838 558419.0162 -6.4389 -6.2986 PRESSURE: 3666600 -106.065 -32.4163 -6.68181 -32.416 -63.8519 -69.746 -6.68179 -69.7466 -73.2162 GPRESSURE: 3666600 -36.1607 -105.151 -10.4731 13.141 -82.4634 -63.3309 -5.02797 -86.079 -30.5382 PRESSAVG: 3666600 -24.3405 -20.2008 -12.8347 -20.2008 -43.2241 -2.14597 -12.8347 -2.14599 42.8296 GPRESSAVG: 3666600 -24.4599 -21.9946 -12.9961 -20.8517 -42.9139 -2.32885 -13.6359 -3.40144 42.9052 TIMING: 3666600 CPU: 10981, 0.00303232/step Wall: 10981, 0.00303232/step, 1.12314 hours remaining, 206.660156 MB of memory in use. ENERGY: 3666600 714.5502 2126.3482 1930.6955 113.1898 -205825.6671 17504.2325 0.0000 0.0000 34136.6871 -149299.9638 298.1242 -183436.6509 -149195.5531 298.9907 -81.0444 -49.7208 556221.5715 -8.2450 -8.1562 PRESSURE: 3666800 266.441 141.02 90.1945 141.02 -86.6816 -30.6174 90.1944 -30.6185 -316.369 GPRESSURE: 3666800 252.026 187.582 69.3144 108.856 -6.28714 -62.0948 137.35 -130.713 -287.539 PRESSAVG: 3666800 90.0294 -21.6571 20.3941 -21.6571 -51.4376 -46.1465 20.3941 -46.1466 -32.1777 GPRESSAVG: 3666800 91.0277 -21.0236 20.3095 -20.606 -52.2974 -44.9995 22.3499 -46.635 -32.5052 TIMING: 3666800 CPU: 10981.6, 0.00302576/step Wall: 10981.6, 0.00302576/step, 1.12054 hours remaining, 206.660156 MB of memory in use. ENERGY: 3666800 737.7890 2168.3838 1961.3887 115.7362 -206114.3233 17640.8202 0.0000 0.0000 34011.5585 -149478.6470 297.0314 -183490.2055 -149391.2943 298.8946 -45.5366 -13.9335 557363.6292 2.1380 2.0751 PRESSURE: 3667000 -382.122 -70.2336 -120.795 -70.2335 -125.522 -185.974 -120.793 -185.975 -505.695 GPRESSURE: 3667000 -374.931 -129.359 -87.6317 47.3317 -75.1342 -199.74 -138.988 -95.0477 -470.175 PRESSAVG: 3667000 67.6799 -70.6201 21.6795 -70.6203 -78.8192 -24.8949 21.6796 -24.895 -28.4589 GPRESSAVG: 3667000 67.1098 -70.7878 21.8121 -71.3952 -78.3374 -28.1895 20.1172 -23.3992 -28.2496 TIMING: 3667000 CPU: 10982.2, 0.00305993/step Wall: 10982.2, 0.00305993/step, 1.13303 hours remaining, 206.660156 MB of memory in use. ENERGY: 3667000 737.3781 2150.1595 1941.5860 110.6191 -205651.7200 17246.3375 0.0000 0.0000 34056.1291 -149409.5108 297.4206 -183465.6399 -149318.1040 298.8621 -337.7798 -306.7469 558107.7792 -13.1994 -13.1591 PRESSURE: 3667200 -17.4787 -67.4739 -24.6955 -67.4745 -117.443 -64.598 -24.6954 -64.5964 -257.751 GPRESSURE: 3667200 3.68249 -19.3947 -52.4584 -131.825 -126.529 -62.367 14.9899 -110.374 -157.196 PRESSAVG: 3667200 -21.4734 -77.0237 -20.6321 -77.0238 -34.7452 0.649624 -20.632 0.649688 26.1727 GPRESSAVG: 3667200 -21.6974 -77.119 -20.2733 -76.1614 -34.0321 2.25978 -22.0156 2.84645 25.5564 TIMING: 3667200 CPU: 10982.8, 0.00303768/step Wall: 10982.8, 0.00303768/step, 1.12461 hours remaining, 206.660156 MB of memory in use. ENERGY: 3667200 767.7904 2144.6915 1957.5356 117.9058 -206270.3453 17608.0586 0.0000 0.0000 34253.7235 -149420.6400 299.1463 -183674.3635 -149321.6894 299.2014 -130.8911 -93.3477 556486.4043 -10.0153 -10.0577 PRESSURE: 3667400 23.7873 31.1887 -108.322 31.1878 -45.0796 104.708 -108.322 104.708 77.7404 GPRESSURE: 3667400 103.839 -37.2964 -134.985 -2.58395 -18.7287 64.9918 -54.0393 41.3521 66.5713 PRESSAVG: 3667400 43.4387 -45.0328 41.0554 -45.0329 -9.35204 1.74282 41.0553 1.7429 -3.70853 GPRESSAVG: 3667400 42.8247 -43.9459 40.738 -46.1743 -9.6885 0.838848 42.5485 -1.32689 -2.62859 TIMING: 3667400 CPU: 10983.4, 0.00304182/step Wall: 10983.4, 0.00304182/step, 1.12598 hours remaining, 206.660156 MB of memory in use. ENERGY: 3667400 722.1023 2058.4007 1973.1978 102.4677 -206384.1864 17851.5072 0.0000 0.0000 34209.4297 -149467.0810 298.7595 -183676.5107 -149374.5149 299.3910 18.8160 50.5606 556385.0412 10.1260 10.1692 PRESSURE: 3667600 90.3886 -41.9847 157.203 -41.9835 -235.536 68.8055 157.202 68.8045 119.723 GPRESSURE: 3667600 189.168 -80.8364 178.769 -22.2766 -232.945 12.7861 156.801 95.6656 138.968 PRESSAVG: 3667600 51.8972 -36.8211 8.71895 -36.821 -47.4407 23.0286 8.71895 23.0286 21.1242 GPRESSAVG: 3667600 52.98 -37.6805 9.85512 -34.8731 -47.8716 23.4755 7.48414 25.1531 20.2968 TIMING: 3667600 CPU: 10984, 0.00305234/step Wall: 10984, 0.00305234/step, 1.1297 hours remaining, 206.660156 MB of memory in use. ENERGY: 3667600 760.5863 2047.6930 1968.3129 134.8852 -206519.7367 17873.7470 0.0000 0.0000 34267.6846 -149466.8278 299.2682 -183734.5124 -149370.2113 298.9713 -8.4747 31.7304 555817.5854 8.5269 8.4684 PRESSURE: 3667800 244.658 44.1208 17.6498 44.1212 58.0778 -42.1299 17.6487 -42.1293 -56.0404 GPRESSURE: 3667800 265.795 -54.3293 87.167 110.414 115.132 -46.4948 -88.2749 -72.7284 -37.5368 PRESSAVG: 3667800 22.2568 27.782 -42.0592 27.7819 0.420279 15.7473 -42.0591 15.7473 0.251808 GPRESSAVG: 3667800 22.611 27.6104 -43.3057 25.9795 0.81666 15.6644 -41.0659 14.8246 -0.310965 TIMING: 3667800 CPU: 10984.6, 0.00304165/step Wall: 10984.6, 0.00304165/step, 1.12558 hours remaining, 206.660156 MB of memory in use. ENERGY: 3667800 764.2079 2086.1461 1953.3153 119.8901 -206412.7674 17985.9596 0.0000 0.0000 34130.3699 -149372.8784 298.0690 -183503.2483 -149278.4607 299.1798 82.2318 114.4634 556507.5384 7.6430 7.7056 PRESSURE: 3668000 29.2551 -71.7688 -145.787 -71.7683 14.142 -54.9642 -145.787 -54.9633 -115.885 GPRESSURE: 3668000 15.7201 -11.5598 -44.9583 -103.743 39.9217 21.5077 -183.207 -68.3743 -34.9792 PRESSAVG: 3668000 48.8987 -32.2206 5.26822 -32.2206 15.6316 -20.2044 5.26814 -20.2043 -61.4206 GPRESSAVG: 3668000 47.4797 -31.2777 4.95807 -32.3571 17.0098 -18.4642 6.2326 -21.9295 -61.8449 TIMING: 3668000 CPU: 10985.2, 0.00305728/step Wall: 10985.2, 0.00305728/step, 1.13119 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: 3668000 788.3805 2156.5251 1938.3995 116.4879 -206439.0655 17903.4892 0.0000 0.0000 34175.0649 -149360.7184 298.4593 -183535.7833 -149267.7234 298.0950 -24.1626 6.8875 555347.4669 1.0366 0.8815 PRESSURE: 3668200 -110.653 -70.4841 -12.4204 -70.4842 143.146 46.7522 -12.4184 46.7526 147.255 GPRESSURE: 3668200 -77.9849 -112.489 4.43501 -6.71803 156.756 57.0342 -67.6418 36.3224 189.663 PRESSAVG: 3668200 -14.367 -40.0957 -3.19235 -40.0956 81.6154 -19.1374 -3.19235 -19.1374 -60.9398 GPRESSAVG: 3668200 -13.3972 -39.8572 -0.804277 -38.8574 79.8634 -20.4208 -4.22722 -17.5583 -60.4259 TIMING: 3668200 CPU: 10985.8, 0.00306797/step Wall: 10985.8, 0.00306797/step, 1.13498 hours remaining, 206.660156 MB of memory in use. ENERGY: 3668200 778.3451 2093.6656 1959.4491 118.9706 -206636.6370 17917.7487 0.0000 0.0000 34497.8122 -149270.6456 301.2780 -183768.4578 -149169.5560 299.6000 59.9160 89.4781 555746.6903 2.1029 2.0134 LDB: ============= START OF LOAD BALANCING ============== 10989.3 LDB: ============== END OF LOAD BALANCING =============== 10989.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10989.3 LDB: ============= START OF LOAD BALANCING ============== 10989.6 LDB: Largest compute 4820 load 0.027336 is 23.1% of average load 0.118128 LDB: Average compute 0.001727 is 1.5% of average load 0.118128 LDB: TIME 10989.6 LOAD: AVG 0.118128 MAX 0.221834 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 10989.6 LOAD: AVG 0.118128 MAX 0.221834 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.176 MB LDB: TIME 10989.6 LOAD: AVG 0.118128 MAX 0.221834 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.176 MB LDB: ============== END OF LOAD BALANCING =============== 10989.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 10989.6 PRESSURE: 3668400 -251.396 -55.1197 127.546 -55.1201 -281.507 25.1815 127.547 25.1801 -167.798 GPRESSURE: 3668400 -229.889 32.3612 168.54 -38.8169 -237.398 47.3519 181.739 4.10417 -139.463 PRESSAVG: 3668400 20.7619 -26.5391 23.8275 -26.5389 -32.2925 36.7366 23.8274 36.7366 -11.7416 GPRESSAVG: 3668400 20.3582 -25.4428 21.6846 -25.4417 -32.3359 38.7249 23.8052 36.1213 -11.6604 TIMING: 3668400 CPU: 10986.5, 0.0031074/step Wall: 10986.5, 0.0031074/step, 1.14939 hours remaining, 205.894531 MB of memory in use. ENERGY: 3668400 771.4411 2142.2293 1937.5889 114.4325 -206161.0880 17559.7872 0.0000 0.0000 34421.5246 -149214.0844 300.6117 -183635.6090 -149118.1158 299.1849 -233.5668 -202.2500 557842.3468 -7.7574 -7.8793 PRESSURE: 3668600 -339.546 -32.4914 26.9245 -32.4919 -221.6 -63.8244 26.9243 -63.825 -248.859 GPRESSURE: 3668600 -323.812 -31.1215 30.4757 -26.3905 -191.697 -9.71799 24.8829 -45.4559 -195.622 PRESSAVG: 3668600 18.3423 2.08947 7.54725 2.08948 67.5918 -16.2437 7.54724 -16.2438 -98.136 GPRESSAVG: 3668600 19.0038 1.09354 7.20965 -0.168881 67.1656 -17.4152 8.09852 -16.1549 -97.5792 TIMING: 3668600 CPU: 10987.1, 0.00305369/step Wall: 10987.1, 0.00305369/step, 1.12936 hours remaining, 205.894531 MB of memory in use. ENERGY: 3668600 728.4827 2049.0142 1952.7137 114.5139 -205917.6886 17397.6312 0.0000 0.0000 34391.8430 -149283.4900 300.3525 -183675.3329 -149182.4368 299.6150 -270.0019 -237.0437 556504.0771 -4.0673 -3.8033 PRESSURE: 3668800 -146.901 -114.297 92.1527 -114.296 -127.77 48.6841 92.1523 48.6844 -32.9404 GPRESSURE: 3668800 -144.753 -88.4704 46.0118 -168.159 -89.6064 47.6394 113.756 119.126 25.0368 PRESSAVG: 3668800 -116.058 -8.20054 -26.4978 -8.2006 36.7819 10.4875 -26.4979 10.4876 22.1814 GPRESSAVG: 3668800 -116.897 -9.64451 -24.1126 -6.65145 37.2068 8.73193 -28.3989 13.0866 22.997 TIMING: 3668800 CPU: 10987.7, 0.00309491/step Wall: 10987.7, 0.00309491/step, 1.14443 hours remaining, 205.894531 MB of memory in use. ENERGY: 3668800 739.7312 2059.7418 1952.3410 116.6773 -206335.4678 17864.7233 0.0000 0.0000 34231.3848 -149370.8684 298.9512 -183602.2532 -149272.3151 298.7311 -102.5373 -69.7741 556850.6663 -19.0316 -18.8977 PRESSURE: 3669000 -262.631 98.1159 -178.215 98.1173 -113.46 253.895 -178.216 253.895 -304.039 GPRESSURE: 3669000 -235.714 165.88 -198.518 85.3586 -88.7429 216.133 -194.466 184.282 -258.037 PRESSAVG: 3669000 24.9869 -25.6428 -1.46091 -25.6428 -3.28735 61.0024 -1.46096 61.0024 -7.82147 GPRESSAVG: 3669000 25.1086 -23.7789 -1.48705 -25.7019 -3.11521 60.4159 -1.11744 58.9715 -8.31503 TIMING: 3669000 CPU: 10988.3, 0.0030508/step Wall: 10988.3, 0.0030508/step, 1.12795 hours remaining, 205.894531 MB of memory in use. ENERGY: 3669000 796.2419 2087.9479 1957.8538 112.6684 -206102.0307 17584.7295 0.0000 0.0000 34249.7300 -149312.8592 299.1114 -183562.5892 -149211.6816 299.5164 -226.7099 -194.1648 557790.9527 4.6260 4.5594 PRESSURE: 3669200 -258.833 265.85 143.688 265.851 99.0687 -102.889 143.687 -102.889 -12.7962 GPRESSURE: 3669200 -142.955 183.606 92.3776 287.082 94.7215 -67.6002 170.679 -77.7275 -20.3561 PRESSAVG: 3669200 -42.1953 -19.0334 -36.955 -19.0333 87.8486 26.416 -36.955 26.4161 -34.2752 GPRESSAVG: 3669200 -42.6389 -18.6856 -38.4386 -18.4608 88.6714 27.208 -36.7998 27.9763 -33.8514 TIMING: 3669200 CPU: 10988.9, 0.00305033/step Wall: 10988.9, 0.00305033/step, 1.12761 hours remaining, 205.894531 MB of memory in use. ENERGY: 3669200 732.6768 2083.8731 1949.3334 118.6759 -206033.4394 17600.4560 0.0000 0.0000 34358.2375 -149190.1867 300.0590 -183548.4242 -149094.8766 299.4925 -57.5202 -22.8633 557994.4542 3.7927 4.0604 PRESSURE: 3669400 48.7867 88.6408 1.07351 88.641 -43.5435 128.84 1.07383 128.842 -239.561 GPRESSURE: 3669400 21.9072 70.2801 49.3267 120.219 -22.4 126.847 -127.157 99.5929 -146.158 PRESSAVG: 3669400 61.0015 53.6059 0.698216 53.6058 36.0977 -15.4257 0.6982 -15.4255 -82.9071 GPRESSAVG: 3669400 60.6384 52.1381 0.74832 53.5662 36.654 -15.8477 -0.454957 -16.8954 -83.1203 TIMING: 3669400 CPU: 10989.5, 0.00304647/step Wall: 10989.5, 0.00304647/step, 1.12601 hours remaining, 205.894531 MB of memory in use. ENERGY: 3669400 746.1730 2116.6272 1942.8004 116.5960 -205984.0486 17576.8157 0.0000 0.0000 34205.3818 -149279.6546 298.7241 -183485.0365 -149185.6950 299.3655 -78.1058 -48.8837 557782.3021 4.7307 4.7240 PRESSURE: 3669600 -15.1672 27.6993 44.3131 27.6983 109.422 106.248 44.313 106.249 -44.7496 GPRESSURE: 3669600 63.8587 -13.8442 68.9324 26.4434 130.568 54.4538 29.7715 173.02 -60.3617 PRESSAVG: 3669600 -15.1729 34.4465 22.4709 34.4465 16.0059 29.1229 22.4708 29.1229 0.458336 GPRESSAVG: 3669600 -14.5302 35.114 22.1876 34.2877 15.4155 27.8717 22.7789 29.2258 -0.0458716 TIMING: 3669600 CPU: 10990.1, 0.00304966/step Wall: 10990.1, 0.00304966/step, 1.12702 hours remaining, 205.894531 MB of memory in use. ENERGY: 3669600 746.9753 2076.7773 1955.0011 115.0163 -206222.5178 17861.6796 0.0000 0.0000 34317.1347 -149149.9336 299.7001 -183467.0683 -149054.5071 299.9093 16.5019 44.6884 558720.1253 0.4304 0.2798 PRESSURE: 3669800 -105.063 60.91 53.4901 60.91 -20.3949 103.567 53.4894 103.568 45.2803 GPRESSURE: 3669800 -88.6721 121.932 -41.8655 47.5771 4.58107 67.2548 26.376 65.8562 107.676 PRESSAVG: 3669800 -19.8827 16.647 11.2805 16.6469 -6.73741 13.3177 11.2804 13.3177 -37.3486 GPRESSAVG: 3669800 -19.3959 16.6219 12.2444 15.7128 -7.45076 16.3745 12.184 10.9072 -36.315 TIMING: 3669800 CPU: 10990.7, 0.0030239/step Wall: 10990.7, 0.0030239/step, 1.11733 hours remaining, 205.894531 MB of memory in use. ENERGY: 3669800 763.7521 2101.8030 1958.6836 108.5530 -206031.6036 17789.7852 0.0000 0.0000 34336.0450 -148972.9817 299.8652 -183309.0267 -148869.3290 299.9170 -26.7259 7.8615 558433.3102 -21.3229 -21.0539 PRESSURE: 3670000 -62.8461 80.1625 19.1485 80.1614 -124.709 269.023 19.1491 269.023 -163.234 GPRESSURE: 3670000 -21.3966 131.265 10.4968 36.4714 -106.977 283.77 43.2077 135.884 -136.585 PRESSAVG: 3670000 21.257 14.8594 -8.9708 14.8594 -24.713 52.3955 -8.9709 52.3955 36.9735 GPRESSAVG: 3670000 21.4967 15.325 -9.71584 14.6507 -25.5268 50.9876 -11.2292 54.2189 37.0601 TIMING: 3670000 CPU: 10991.3, 0.00305525/step Wall: 10991.3, 0.00305525/step, 1.12875 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: 3670000 752.9807 1996.2816 1966.9580 119.3940 -205968.6390 17591.8764 0.0000 0.0000 34469.5865 -149071.5618 301.0315 -183541.1483 -148975.9672 299.5605 -116.9300 -88.3194 557571.9666 11.1725 11.0100 PRESSURE: 3670200 -164.859 -179.588 -213.612 -179.588 -218.935 73.1137 -213.611 73.1138 -203.156 GPRESSURE: 3670200 -143.999 -205.66 -214.693 -143.017 -168.58 126.54 -150.276 97.5269 -188.641 PRESSAVG: 3670200 -42.8172 15.1129 -36.9615 15.1129 8.62649 54.1878 -36.9616 54.1878 3.0808 GPRESSAVG: 3670200 -42.3589 14.3519 -35.9907 15.1165 8.95357 53.0212 -35.5902 53.8146 2.44403 TIMING: 3670200 CPU: 10991.9, 0.0030242/step Wall: 10991.9, 0.0030242/step, 1.11711 hours remaining, 205.894531 MB of memory in use. ENERGY: 3670200 770.9665 2033.3774 1932.1824 115.4628 -205857.8837 17526.9393 0.0000 0.0000 34319.2554 -149159.7001 299.7186 -183478.9555 -149068.0640 299.5344 -195.6500 -167.0733 557676.2092 -10.3700 -10.3204 PRESSURE: 3670400 -101.87 -51.1789 41.5395 -51.1796 -60.8176 -52.3216 41.54 -52.3228 -49.09 GPRESSURE: 3670400 -84.367 -8.22323 35.4864 -54.9642 -5.21519 20.8638 6.50673 -104.099 -22.4251 PRESSAVG: 3670400 -17.4538 5.73369 -11.3333 5.73361 14.4327 29.6756 -11.3333 29.6756 -12.9529 GPRESSAVG: 3670400 -17.8566 6.19952 -12.9103 6.4346 15.9792 30.5636 -11.183 29.6566 -14.1779 TIMING: 3670400 CPU: 10992.5, 0.00302302/step Wall: 10992.5, 0.00302302/step, 1.1165 hours remaining, 205.894531 MB of memory in use. ENERGY: 3670400 755.7475 2082.4111 1938.0074 121.2087 -205862.5204 17525.0257 0.0000 0.0000 34253.2730 -149186.8471 299.1424 -183440.1200 -149088.6985 299.4801 -70.5927 -37.3358 556457.8251 -5.3247 -5.3518 PRESSURE: 3670600 330.077 5.59344 -211.146 5.59389 17.8845 -25.8085 -211.146 -25.8086 -0.241985 GPRESSURE: 3670600 356.237 -47.3391 -193.243 31.748 49.3855 47.7484 -214.196 -66.3629 52.1631 PRESSAVG: 3670600 -56.655 5.06783 -4.71079 5.06786 39.3727 -1.09857 -4.71078 -1.09861 -1.31255 GPRESSAVG: 3670600 -56.6871 4.7813 -4.00596 3.59705 38.5768 -2.1317 -5.70424 0.510618 -0.127573 TIMING: 3670600 CPU: 10993.2, 0.0030031/step Wall: 10993.2, 0.0030031/step, 1.10898 hours remaining, 205.894531 MB of memory in use. ENERGY: 3670600 745.3612 2057.9027 1922.9037 121.4606 -206130.0409 17816.1210 0.0000 0.0000 34430.0409 -149036.2509 300.6861 -183466.2917 -148942.8237 300.0019 115.9066 152.5952 556270.0891 -6.1983 -6.0793 PRESSURE: 3670800 -28.9962 -18.639 72.6293 -18.6389 -15.7338 -187.492 72.6291 -187.49 -102.37 GPRESSURE: 3670800 32.059 -89.2712 59.1085 7.81289 -18.9415 -142.915 71.6341 -137.922 -58.3882 PRESSAVG: 3670800 33.0188 50.4296 -8.10995 50.4296 52.9476 -19.9667 -8.10999 -19.9667 -72.538 GPRESSAVG: 3670800 32.3124 51.2503 -9.32949 49.0872 53.9574 -19.9888 -6.07004 -18.7112 -73.3633 TIMING: 3670800 CPU: 10993.8, 0.00301931/step Wall: 10993.8, 0.00301931/step, 1.1148 hours remaining, 205.894531 MB of memory in use. ENERGY: 3670800 742.4522 2099.3650 1938.5623 108.4397 -206271.6838 17764.5594 0.0000 0.0000 34466.2017 -149152.1035 301.0019 -183618.3052 -149057.8386 299.9384 -49.0333 -15.0902 556680.3781 4.4761 4.3022 PRESSURE: 3671000 -99.2013 27.7138 -116.355 27.7134 -43.6831 197.624 -116.355 197.624 -116.56 GPRESSURE: 3671000 -67.995 81.6183 -38.4786 -6.26446 -44.4683 222.607 -172.307 199.146 -54.9039 PRESSAVG: 3671000 22.5059 -68.9742 -31.217 -68.9742 -0.460667 -0.848597 -31.217 -0.848607 19.1639 GPRESSAVG: 3671000 23.479 -68.1341 -30.2059 -68.8563 -1.61078 1.3549 -31.9922 -4.31332 19.6767 TIMING: 3671000 CPU: 10994.4, 0.00300695/step Wall: 10994.4, 0.00300694/step, 1.11006 hours remaining, 205.894531 MB of memory in use. ENERGY: 3671000 743.1149 2122.3049 1953.7154 114.7486 -206231.2741 17645.3692 0.0000 0.0000 34210.7740 -149441.2472 298.7712 -183652.0212 -149337.9613 299.7328 -86.4813 -55.7891 556475.0514 13.7364 13.8483 PRESSURE: 3671200 47.9734 74.9641 -115.928 74.9652 52.5981 -36.5015 -115.928 -36.5014 63.9613 GPRESSURE: 3671200 35.5731 87.9482 -137.133 78.7869 89.5369 11.1535 -75.1871 -13.7673 136.675 PRESSAVG: 3671200 20.4275 -7.84776 -10.919 -7.84763 50.8752 48.0147 -10.919 48.0146 -68.7813 GPRESSAVG: 3671200 18.7106 -9.02063 -10.0671 -8.02605 52.1726 46.841 -10.6531 49.4552 -68.2574 TIMING: 3671200 CPU: 10995, 0.00301654/step Wall: 10995, 0.00301654/step, 1.11344 hours remaining, 205.894531 MB of memory in use. ENERGY: 3671200 748.8421 2063.6777 1948.5387 120.1839 -206216.0165 17789.8416 0.0000 0.0000 34243.2479 -149301.6847 299.0548 -183544.9327 -149202.3914 298.9246 54.8443 87.2618 556355.0369 0.8405 0.8753 PRESSURE: 3671400 153.431 -2.39859 -80.5829 -2.39794 -12.4498 173.242 -80.5824 173.241 45.6684 GPRESSURE: 3671400 188.421 2.75564 -106.196 15.3343 42.1714 141.963 45.8661 188.598 48.5116 PRESSAVG: 3671400 79.7986 39.1924 10.2225 39.1925 -33.4562 35.0027 10.2226 35.0026 -15.2394 GPRESSAVG: 3671400 81.4749 38.7755 10.6656 41.7948 -33.1633 33.6586 10.1247 36.4765 -17.1839 TIMING: 3671400 CPU: 10995.6, 0.00305492/step Wall: 10995.6, 0.00305492/step, 1.12743 hours remaining, 205.894531 MB of memory in use. ENERGY: 3671400 750.8043 2095.6540 1926.9617 116.1520 -206256.9043 17750.7126 0.0000 0.0000 34216.2935 -149400.3261 298.8194 -183616.6195 -149303.0707 298.9617 62.2164 93.0345 555661.8398 10.3677 10.3759 PRESSURE: 3671600 -251.569 -132.529 233.864 -132.529 -171.066 163.966 233.863 163.966 -149.625 GPRESSURE: 3671600 -206.319 -161.568 129.924 -66.3116 -157.404 175.541 222.137 139.029 -108.68 PRESSAVG: 3671600 47.4243 -14.407 16.6328 -14.407 -18.1203 34.3628 16.6328 34.3627 20.2576 GPRESSAVG: 3671600 48.8752 -12.1902 14.1742 -17.2108 -19.8662 35.4824 18.7593 31.6963 20.409 TIMING: 3671600 CPU: 10996.2, 0.00303408/step Wall: 10996.2, 0.00303408/step, 1.11958 hours remaining, 205.894531 MB of memory in use. ENERGY: 3671600 771.8280 2129.1266 1965.3859 109.5378 -205900.6606 17555.5357 0.0000 0.0000 34078.2447 -149291.0020 297.6138 -183369.2466 -149196.9462 299.7932 -190.7537 -157.4677 556807.2063 16.5205 16.4727 PRESSURE: 3671800 -315.893 -23.5863 43.0446 -23.5858 -54.0282 -210.638 43.044 -210.64 -260.436 GPRESSURE: 3671800 -291.573 -6.05488 74.3137 -53.8687 -52.7515 -159.051 -15.6924 -124.429 -167.268 PRESSAVG: 3671800 -2.74433 -35.0131 -9.54591 -35.0131 2.38672 8.09252 -9.54582 8.09255 0.713314 GPRESSAVG: 3671800 -3.27083 -36.0774 -7.56427 -34.6564 2.37495 8.51074 -12.1728 9.70101 1.63031 TIMING: 3671800 CPU: 10996.8, 0.00301329/step Wall: 10996.8, 0.00301329/step, 1.11174 hours remaining, 205.894531 MB of memory in use. ENERGY: 3671800 782.4217 2087.1485 1940.8906 117.1638 -206360.0102 17693.6427 0.0000 0.0000 34376.5335 -149362.2094 300.2188 -183738.7429 -149266.4494 299.3227 -210.1192 -170.5307 557344.9822 0.1186 0.2448 PRESSURE: 3672000 0.0427522 -41.3172 -46.2105 -41.3175 185.465 -46.9109 -46.2103 -46.9099 -27.153 GPRESSURE: 3672000 -21.3685 -16.0613 31.3975 -84.2604 221.733 16.3257 -137.85 -90.3055 45.8745 PRESSAVG: 3672000 -33.6726 45.2458 -9.31523 45.2458 17.7799 -9.40643 -9.31522 -9.40634 18.1237 GPRESSAVG: 3672000 -33.1961 46.1815 -10.4214 44.9961 18.4325 -9.82034 -7.23262 -10.3398 17.7128 TIMING: 3672000 CPU: 10997.4, 0.00303688/step Wall: 10997.4, 0.00303688/step, 1.12027 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: 3672000 737.8834 2092.0238 1980.7917 121.9107 -206312.5754 17781.0470 0.0000 0.0000 34259.6943 -149339.2245 299.1984 -183598.9188 -149240.2680 299.9059 52.7850 82.0796 556926.3220 0.7436 0.9830 PRESSURE: 3672200 -56.4001 -115.083 -107.079 -115.083 130.398 89.5818 -107.08 89.5831 187.059 GPRESSURE: 3672200 -0.723852 -120.021 -100.327 -160.289 151.862 173.176 -124.091 6.37702 211.682 PRESSAVG: 3672200 6.00748 25.2887 -12.2477 25.2886 31.6825 -6.84348 -12.2477 -6.84343 15.3168 GPRESSAVG: 3672200 5.04269 24.0247 -11.2625 25.5238 33.331 -7.32043 -13.6506 -5.54152 14.8388 TIMING: 3672200 CPU: 10998, 0.00305933/step Wall: 10998, 0.00305933/step, 1.12838 hours remaining, 205.894531 MB of memory in use. ENERGY: 3672200 747.1600 2020.3543 1970.6790 99.1438 -206353.3495 17939.9499 0.0000 0.0000 34234.7968 -149341.2656 298.9810 -183576.0624 -149241.2225 299.6422 87.0187 120.9402 557023.7829 17.6689 17.7375 LDB: ============= START OF LOAD BALANCING ============== 11001.4 LDB: ============== END OF LOAD BALANCING =============== 11001.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11001.4 LDB: ============= START OF LOAD BALANCING ============== 11001.7 LDB: Largest compute 4820 load 0.027069 is 22.9% of average load 0.118117 LDB: Average compute 0.001729 is 1.5% of average load 0.118117 LDB: TIME 11001.7 LOAD: AVG 0.118117 MAX 0.216246 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 11001.7 LOAD: AVG 0.118117 MAX 0.216246 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.332 MB LDB: TIME 11001.7 LOAD: AVG 0.118117 MAX 0.216246 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.332 MB LDB: ============== END OF LOAD BALANCING =============== 11001.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11001.7 PRESSURE: 3672400 -42.93 133.841 116.395 133.841 354.234 55.7511 116.396 55.7499 42.0218 GPRESSURE: 3672400 -15.8072 44.1398 85.448 154.349 363.312 27.7694 103.3 9.07123 106.865 PRESSAVG: 3672400 36.1632 -46.9012 -8.77486 -46.9012 -18.7048 64.9163 -8.77484 64.9164 -24.4227 GPRESSAVG: 3672400 37.892 -45.2659 -9.1892 -46.6875 -19.6854 62.996 -6.12662 64.6104 -24.5592 TIMING: 3672400 CPU: 10998.6, 0.00311009/step Wall: 10998.6, 0.00311009/step, 1.14693 hours remaining, 206.648438 MB of memory in use. ENERGY: 3672400 763.7704 2111.5325 1958.6282 125.0627 -206752.7574 18089.9303 0.0000 0.0000 34334.0900 -149369.7433 299.8481 -183703.8333 -149282.1158 298.9318 117.7754 151.4565 557019.4243 -2.3214 -2.1175 PRESSURE: 3672600 -168.003 122.489 -0.957932 122.49 -351.661 -55.4017 -0.95797 -55.4003 112.79 GPRESSURE: 3672600 -110.178 28.2259 32.2217 119.124 -337.404 -99.0361 35.3854 -36.3087 140.43 PRESSAVG: 3672600 -17.6351 13.4299 41.8551 13.4298 6.03104 18.3415 41.855 18.3415 3.78308 GPRESSAVG: 3672600 -17.9149 10.2455 43.1333 16.4609 6.297 19.9392 37.8662 18.0882 4.1864 TIMING: 3672600 CPU: 10999.2, 0.00304191/step Wall: 10999.2, 0.00304191/step, 1.12162 hours remaining, 206.648438 MB of memory in use. ENERGY: 3672600 706.9062 2058.1691 1969.2282 110.4554 -206076.4608 17562.2373 0.0000 0.0000 34086.4776 -149582.9870 297.6857 -183669.4647 -149482.3229 298.2179 -135.6246 -102.3840 557874.7483 -2.6070 -2.4772 PRESSURE: 3672800 12.7358 -95.9429 120.194 -95.9437 -218.787 -26.66 120.194 -26.6596 -127.038 GPRESSURE: 3672800 60.803 -97.4919 33.4094 -63.8731 -206.651 21.3836 119.635 1.54575 -85.9046 PRESSAVG: 3672800 -21.376 18.7833 35.4647 18.7833 20.1591 28.5697 35.4647 28.5696 -23.8908 GPRESSAVG: 3672800 -22.4186 18.8486 35.8916 16.4995 20.2869 28.3923 36.254 30.1291 -23.149 TIMING: 3672800 CPU: 10999.8, 0.00306086/step Wall: 10999.8, 0.00306086/step, 1.12844 hours remaining, 206.648438 MB of memory in use. ENERGY: 3672800 745.8322 2093.4517 1964.3886 115.7466 -206162.0748 17621.6537 0.0000 0.0000 33922.1348 -149698.8672 296.2504 -183621.0020 -149605.9954 298.2040 -111.0295 -77.2510 557580.3386 -8.3692 -8.4269 PRESSURE: 3673000 -143.678 0.693606 180.445 0.694405 -100.326 -37.839 180.445 -37.8398 -62.6096 GPRESSURE: 3673000 -51.7456 38.9076 150.467 33.5145 -106.577 25.9863 175.724 -129.412 -47.2004 PRESSAVG: 3673000 46.9352 -3.34666 -41.4359 -3.34666 -27.4949 10.1957 -41.4359 10.1956 -27.0575 GPRESSAVG: 3673000 47.8063 -1.02149 -43.1982 -4.0608 -27.7651 13.0406 -40.593 9.2493 -27.493 TIMING: 3673000 CPU: 11000.4, 0.00303602/step Wall: 11000.4, 0.00303602/step, 1.11911 hours remaining, 206.648438 MB of memory in use. ENERGY: 3673000 758.8773 2122.1986 1938.4184 112.9871 -206721.1199 17901.3291 0.0000 0.0000 34083.0957 -149804.2138 297.6562 -183887.3094 -149708.8618 298.3040 -102.2044 -68.5078 557605.0010 -2.5391 -2.4840 PRESSURE: 3673200 6.2293 43.71 119.615 43.7101 -135.804 -59.4886 119.615 -59.4874 -90.0629 GPRESSURE: 3673200 9.33213 18.4224 120.997 -18.3438 -86.0174 -69.1009 79.0705 -50.5858 -49.2521 PRESSAVG: 3673200 -32.1316 45.3364 21.1671 45.3364 -35.8281 -16.3429 21.1671 -16.343 22.9081 GPRESSAVG: 3673200 -32.4223 44.7659 22.3988 45.2676 -34.8932 -17.8811 20.8069 -17.5955 22.6067 TIMING: 3673200 CPU: 11001.1, 0.0030523/step Wall: 11001.1, 0.0030523/step, 1.12494 hours remaining, 206.648438 MB of memory in use. ENERGY: 3673200 737.4142 2029.3099 1961.6075 106.0613 -206468.9598 17824.5091 0.0000 0.0000 34058.9680 -149751.0898 297.4454 -183810.0578 -149655.1783 297.9253 -73.2124 -41.9791 557830.7781 -15.0172 -14.9029 PRESSURE: 3673400 251.068 55.5349 20.7125 55.5345 39.2488 -192.005 20.7138 -192.005 89.0382 GPRESSURE: 3673400 262.582 57.0837 7.69257 95.6679 65.9089 -194.894 54.1919 -245.104 145.24 PRESSAVG: 3673400 -38.7795 3.57709 72.6781 3.57711 -32.5739 2.16224 72.6782 2.16223 22.077 GPRESSAVG: 3673400 -39.4946 2.73523 71.2613 3.80353 -33.1472 3.51718 72.6048 1.31254 22.9888 TIMING: 3673400 CPU: 11001.7, 0.00303453/step Wall: 11001.7, 0.00303453/step, 1.11822 hours remaining, 206.648438 MB of memory in use. ENERGY: 3673400 788.4645 2059.8148 1959.3210 117.4909 -206997.8684 18185.8032 0.0000 0.0000 34109.3523 -149777.6216 297.8855 -183886.9739 -149689.3091 298.3946 126.4518 157.9102 556415.8486 -16.4255 -16.5510 PRESSURE: 3673600 -16.7915 29.2541 5.68643 29.2541 -123.37 -51.6442 5.6856 -51.6442 -17.1477 GPRESSURE: 3673600 32.5046 92.3165 -45.019 -0.0164844 -120.615 -14.5409 -7.15004 -7.58705 15.6882 PRESSAVG: 3673600 -4.86913 27.6804 25.7476 27.6805 27.0692 11.9429 25.7475 11.9428 42.0847 GPRESSAVG: 3673600 -3.75367 27.9413 28.5442 28.2661 26.9095 10.3067 24.4274 12.5521 41.1411 TIMING: 3673600 CPU: 11002.3, 0.0030294/step Wall: 11002.3, 0.0030294/step, 1.11617 hours remaining, 206.648438 MB of memory in use. ENERGY: 3673600 761.7224 2065.1026 1950.3536 128.1943 -206652.7881 17878.0705 0.0000 0.0000 34069.3535 -149799.9912 297.5361 -183869.3447 -149702.3060 297.8564 -52.4364 -24.1408 557023.2297 21.4283 21.4323 PRESSURE: 3673800 104.104 -28.8122 -11.228 -28.8119 278.956 18.1552 -11.2271 18.1558 151.161 GPRESSURE: 3673800 90.6657 36.4925 -67.2485 -63.0367 290.222 -6.62168 -7.35497 19.03 243.731 PRESSAVG: 3673800 21.4677 14.0032 22.0399 14.0032 -25.2526 11.5572 22.0399 11.5572 5.24005 GPRESSAVG: 3673800 21.8301 11.5015 20.9479 14.4723 -27.1316 11.8601 23.2266 11.9774 6.94857 TIMING: 3673800 CPU: 11002.9, 0.00305822/step Wall: 11002.9, 0.00305822/step, 1.12662 hours remaining, 206.648438 MB of memory in use. ENERGY: 3673800 719.7920 2049.9199 1948.9304 108.3485 -206753.1507 18113.2538 0.0000 0.0000 34070.1510 -149742.7550 297.5431 -183812.9061 -149640.6693 297.7468 178.0738 208.2063 556598.0330 0.4850 0.5490 PRESSURE: 3674000 -167.373 -140.864 24.2696 -140.864 -254.967 113.23 24.2707 113.23 -130.181 GPRESSURE: 3674000 -117.278 -200.427 115.619 -70.8005 -246.935 148.767 35.5591 178.365 -106.197 PRESSAVG: 3674000 39.316 -17.8381 -28.0782 -17.838 -83.9326 16.8614 -28.0783 16.8614 -4.29911 GPRESSAVG: 3674000 37.9516 -14.7232 -29.4718 -18.2279 -82.8147 16.2777 -26.1167 17.7456 -4.43884 TIMING: 3674000 CPU: 11003.5, 0.00306063/step Wall: 11003.5, 0.00306063/step, 1.12733 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: 3674000 786.0866 2042.2941 1976.8622 108.7490 -206294.7250 17668.6074 0.0000 0.0000 34087.8867 -149624.2391 297.6980 -183712.1257 -149517.4871 298.2031 -184.1735 -156.8033 559525.4262 -16.3052 -16.4340 PRESSURE: 3674200 312.893 49.3533 20.7763 49.3534 -237.68 -137.819 20.7763 -137.821 283.388 GPRESSURE: 3674200 316.837 32.3072 44.7345 64.1404 -138.416 -215.67 -17.2612 -108.252 268.487 PRESSAVG: 3674200 131.544 -14.0806 -26.6576 -14.0806 -151.71 24.41 -26.6576 24.4098 -8.38563 GPRESSAVG: 3674200 131.691 -15.3841 -24.2649 -13.4279 -150.941 25.8699 -28.7681 22.4103 -9.17198 TIMING: 3674200 CPU: 11004.1, 0.00306889/step Wall: 11004.1, 0.00306889/step, 1.1302 hours remaining, 206.648438 MB of memory in use. ENERGY: 3674200 702.4209 2086.0519 1946.2467 118.1897 -206435.6982 17962.3804 0.0000 0.0000 34161.6742 -149458.7343 298.3424 -183620.4086 -149357.8073 298.5758 119.5340 148.9695 557401.8652 -9.5173 -9.4738 PRESSURE: 3674400 15.664 25.142 -48.3184 25.1418 -1.40066 -111.853 -48.3179 -111.851 72.4523 GPRESSURE: 3674400 90.6875 1.78876 -25.0631 -38.7047 42.8208 -68.4586 -58.599 -76.9649 48.3071 PRESSAVG: 3674400 59.1589 8.02906 -63.0746 8.02904 -85.1527 -12.0703 -63.0747 -12.0703 8.03089 GPRESSAVG: 3674400 60.3001 9.07302 -64.0762 7.15098 -86.6137 -13.8123 -62.7937 -10.605 8.13385 TIMING: 3674400 CPU: 11004.7, 0.00307313/step Wall: 11004.7, 0.00307313/step, 1.13159 hours remaining, 206.648438 MB of memory in use. ENERGY: 3674400 791.1491 2008.1698 1947.7082 104.5133 -206855.0893 18083.6245 0.0000 0.0000 34297.2399 -149622.6845 299.5263 -183919.9244 -149527.8747 298.8387 28.9052 60.6052 557300.2491 -5.9876 -6.0599 PRESSURE: 3674600 -13.7249 7.80617 -50.3922 7.80663 -347.317 4.64032 -50.391 4.63911 53.1434 GPRESSURE: 3674600 38.9466 6.78708 -62.3369 63.1839 -284.159 -23.7427 -13.0289 39.5271 42.8856 PRESSAVG: 3674600 -42.8191 35.2582 8.27936 35.2582 -6.47624 -75.3387 8.27934 -75.3386 52.4709 GPRESSAVG: 3674600 -43.7029 33.4557 9.3242 33.9277 -5.17805 -74.6065 8.37473 -76.0287 52.2125 TIMING: 3674600 CPU: 11005.3, 0.00303721/step Wall: 11005.3, 0.00303721/step, 1.1182 hours remaining, 206.648438 MB of memory in use. ENERGY: 3674600 760.4392 2031.0429 1950.2945 116.8124 -206146.1342 17547.7706 0.0000 0.0000 34208.3449 -149531.4297 298.7500 -183739.7746 -149438.7416 297.9155 -102.6328 -67.4421 556115.7375 1.0585 1.1105 PRESSURE: 3674800 211.674 287.051 -145.026 287.051 256.249 -8.54544 -145.026 -8.54539 -272.172 GPRESSURE: 3674800 228.093 309.728 -151.366 258.529 227.591 -93.0534 -163.903 59.3679 -169.28 PRESSAVG: 3674800 -5.98721 29.6576 31.224 29.6576 -0.682117 -17.0617 31.2241 -17.0616 26.5996 GPRESSAVG: 3674800 -7.22189 29.2405 30.032 31.2184 0.443501 -16.1183 32.299 -15.8678 27.1511 TIMING: 3674800 CPU: 11005.9, 0.0030338/step Wall: 11005.9, 0.0030338/step, 1.11678 hours remaining, 206.648438 MB of memory in use. ENERGY: 3674800 716.4409 2130.4393 1942.6108 115.8487 -206658.7637 17971.3945 0.0000 0.0000 34444.6622 -149337.3674 300.8138 -183782.0296 -149229.9822 298.6208 65.2501 95.4679 557648.5760 6.6434 6.7909 PRESSURE: 3675000 96.3758 -3.49068 56.6282 -3.49122 100.404 24.9168 56.6283 24.9194 -190.634 GPRESSURE: 3675000 94.8161 -65.8264 61.3891 53.2413 149.617 -6.24863 51.7557 -30.6859 -148.352 PRESSAVG: 3675000 48.216 47.4154 -1.51779 47.4153 96.2261 -49.216 -1.51771 -49.2159 -98.6474 GPRESSAVG: 3675000 49.3216 48.5477 0.734058 47.0207 95.2393 -49.7582 -3.46126 -48.7432 -99.0824 TIMING: 3675000 CPU: 11006.5, 0.00302329/step Wall: 11006.5, 0.00302329/step, 1.11274 hours remaining, 206.648438 MB of memory in use. ENERGY: 3675000 738.8306 2071.7239 1957.7965 111.9499 -206264.9907 17572.1306 0.0000 0.0000 34264.9042 -149547.6551 299.2439 -183812.5592 -149451.4920 299.1734 2.0484 32.0271 555924.1966 15.2649 15.1595 PRESSURE: 3675200 -78.7729 -98.6568 18.9617 -98.6578 325.203 -29.7504 18.9618 -29.7499 261.327 GPRESSURE: 3675200 -46.1301 -106.524 50.0661 -51.5777 391.811 -14.4587 -19.845 -61.5357 254.876 PRESSAVG: 3675200 39.0661 -24.0617 98.0683 -24.0617 3.62471 -23.8341 98.0684 -23.8341 -100.929 GPRESSAVG: 3675200 38.7133 -25.0862 96.9204 -23.6347 4.22788 -23.7106 98.6604 -25.0341 -100.846 TIMING: 3675200 CPU: 11007.2, 0.00305252/step Wall: 11007.2, 0.00305252/step, 1.12333 hours remaining, 206.648438 MB of memory in use. ENERGY: 3675200 753.2484 2106.5479 1947.9551 111.1441 -206775.0443 18268.1993 0.0000 0.0000 34183.1905 -149404.7590 298.5303 -183587.9495 -149309.3080 298.7251 169.2524 200.1857 557318.1770 -19.4128 -19.3015 PRESSURE: 3675400 -129.763 6.41942 -14.8388 6.4186 14.483 36.0738 -14.8389 36.075 -252.722 GPRESSURE: 3675400 -67.6961 -41.0753 2.72424 49.5098 15.3028 56.0331 13.8055 26.8835 -226.32 PRESSAVG: 3675400 13.0362 8.1143 -12.6832 8.1143 -16.1853 -10.2848 -12.6832 -10.2849 18.4757 GPRESSAVG: 3675400 14.7897 9.05045 -12.9738 8.57138 -17.6808 -9.26836 -11.8925 -11.782 18.5225 TIMING: 3675400 CPU: 11007.8, 0.00304096/step Wall: 11007.8, 0.00304096/step, 1.1189 hours remaining, 206.648438 MB of memory in use. ENERGY: 3675400 729.1376 2078.4767 1943.0044 106.5053 -206090.6309 17561.1511 0.0000 0.0000 34295.8449 -149376.5108 299.5141 -183672.3558 -149283.2939 299.4406 -122.6671 -92.9045 557596.7247 5.1089 5.2105 PRESSURE: 3675600 -427.992 267.424 -93.6794 267.424 -285.551 -84.8364 -93.6794 -84.8357 121.211 GPRESSURE: 3675600 -389.528 218.17 -98.5927 266.095 -280.177 -115.691 -48.7211 -21.5395 164.971 PRESSAVG: 3675600 52.5863 -70.8205 -8.4747 -70.8204 -67.8282 -14.5169 -8.47475 -14.517 13.9878 GPRESSAVG: 3675600 50.9506 -70.9081 -9.61332 -70.1413 -66.6436 -13.9668 -8.27188 -12.8083 14.9763 TIMING: 3675600 CPU: 11008.4, 0.00307679/step Wall: 11008.4, 0.00307679/step, 1.13192 hours remaining, 206.648438 MB of memory in use. ENERGY: 3675600 755.9481 2087.1393 1960.1954 120.8500 -206260.6309 17658.1084 0.0000 0.0000 34236.9069 -149441.4828 298.9994 -183678.3897 -149337.5233 299.1152 -197.4438 -168.2446 558204.5271 -0.4180 -0.2389 PRESSURE: 3675800 202.192 -3.32367 -38.4071 -3.32436 189.716 -115.581 -38.4067 -115.583 282.423 GPRESSURE: 3675800 238.1 -22.9047 -32.8636 -2.41382 218.047 -49.7871 -20.6872 -114.448 312.874 PRESSAVG: 3675800 -31.2347 -3.94494 20.1599 -3.94494 -42.8792 -22.44 20.1599 -22.4399 92.8469 GPRESSAVG: 3675800 -30.5236 -2.3096 21.1034 -5.23412 -42.7309 -21.1632 19.8996 -24.9703 92.3708 TIMING: 3675800 CPU: 11009, 0.00304163/step Wall: 11009, 0.00304163/step, 1.11881 hours remaining, 206.648438 MB of memory in use. ENERGY: 3675800 718.5690 2091.7109 1928.2825 117.9698 -206445.7801 17982.5081 0.0000 0.0000 34163.3911 -149443.3486 298.3574 -183606.7397 -149345.1201 298.7879 224.7769 256.3402 555909.4270 6.2443 6.3721 PRESSURE: 3676000 218.905 26.1046 107.548 26.1041 17.0009 107.201 107.549 107.202 -45.081 GPRESSURE: 3676000 258.142 3.02063 131.241 -61.77 49.1862 174.563 95.5648 148.949 -21.4204 PRESSAVG: 3676000 48.4701 20.9749 35.5789 20.9748 -49.0578 14.089 35.5789 14.0891 42.852 GPRESSAVG: 3676000 49.7218 19.3734 34.7698 21.1036 -50.2171 11.6306 37.2084 18.1425 43.0328 TIMING: 3676000 CPU: 11009.6, 0.00306133/step Wall: 11009.6, 0.00306133/step, 1.12589 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: 3676000 749.9218 2039.0099 1935.4953 107.7402 -206371.3392 17762.5368 0.0000 0.0000 34397.4267 -149379.2084 300.4013 -183776.6351 -149281.0889 299.3661 63.6085 95.3027 556472.7072 14.0881 14.1792 PRESSURE: 3676200 267.605 42.0153 169.38 42.017 -258.635 -133.792 169.381 -133.792 -130.448 GPRESSURE: 3676200 265.399 29.7576 183.23 -12.8037 -230.517 -92.4095 89.9258 -83.078 -59.7757 PRESSAVG: 3676200 57.9865 -16.8923 11.9145 -16.8924 -43.3807 -9.06307 11.9146 -9.06313 -3.65657 GPRESSAVG: 3676200 55.5468 -18.4941 10.7792 -17.6112 -41.5334 -8.5514 9.65832 -11.0396 -2.70258 TIMING: 3676200 CPU: 11010.2, 0.00306311/step Wall: 11010.2, 0.00306311/step, 1.12637 hours remaining, 206.648438 MB of memory in use. ENERGY: 3676200 741.9365 2086.1308 1940.9410 120.9462 -206109.1064 17713.8988 0.0000 0.0000 34295.6746 -149209.5786 299.5127 -183505.2532 -149116.2171 299.6342 -40.4929 -8.2979 557481.4682 3.6497 3.7703 LDB: ============= START OF LOAD BALANCING ============== 11013.6 LDB: ============== END OF LOAD BALANCING =============== 11013.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11013.6 LDB: ============= START OF LOAD BALANCING ============== 11014 LDB: Largest compute 4820 load 0.025585 is 21.7% of average load 0.118117 LDB: Average compute 0.001723 is 1.5% of average load 0.118117 LDB: TIME 11014 LOAD: AVG 0.118117 MAX 0.224409 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.609 MB LDB: TIME 11014 LOAD: AVG 0.118117 MAX 0.224409 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.609 MB LDB: TIME 11014 LOAD: AVG 0.118117 MAX 0.224409 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.609 MB LDB: ============== END OF LOAD BALANCING =============== 11014 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11014 PRESSURE: 3676400 -81.6053 -88.3301 -101.962 -88.3294 -206.037 -94.7473 -101.96 -94.7454 82.1388 GPRESSURE: 3676400 -92.1886 -6.49825 -133.714 -123.781 -177.635 -98.1639 -114.8 -49.6754 153.018 PRESSAVG: 3676400 -49.7491 -17.1971 -2.62724 -17.197 17.3854 -10.4037 -2.6272 -10.4037 6.11639 GPRESSAVG: 3676400 -48.2486 -15.5385 -1.27093 -15.9264 15.7587 -10.2588 -0.600401 -10.8332 6.22821 TIMING: 3676400 CPU: 11010.8, 0.00310597/step Wall: 11010.8, 0.00310597/step, 1.14196 hours remaining, 206.070312 MB of memory in use. ENERGY: 3676400 733.8316 2140.1943 1942.6814 112.6896 -205995.0599 17680.5620 0.0000 0.0000 33937.4333 -149447.6677 296.3840 -183385.1011 -149354.9036 299.0339 -68.5012 -38.9349 558587.6109 -8.7491 -8.7539 PRESSURE: 3676600 -194.409 104.377 34.4054 104.375 378.914 -103.495 34.4064 -103.494 -202.742 GPRESSURE: 3676600 -82.8506 107.825 19.8 77.8824 361.078 -174.756 -9.20799 -96.1375 -204.935 PRESSAVG: 3676600 -38.869 11.9193 -15.439 11.9194 30.7135 -19.395 -15.439 -19.395 65.4802 GPRESSAVG: 3676600 -39.2526 14.1419 -14.9783 10.0053 31.438 -20.5359 -14.8783 -18.7789 65.0892 TIMING: 3676600 CPU: 11011.4, 0.0030309/step Wall: 11011.4, 0.0030309/step, 1.11419 hours remaining, 206.070312 MB of memory in use. ENERGY: 3676600 731.7365 2077.5076 1962.0970 111.9764 -206389.1879 17990.6851 0.0000 0.0000 34101.3175 -149413.8678 297.8153 -183515.1853 -149317.0458 298.8297 -6.0790 24.4308 558745.2470 19.1082 19.0915 PRESSURE: 3676800 2.40927 -16.9797 35.7258 -16.9805 -77.4638 78.9714 35.7256 78.9717 -87.2404 GPRESSURE: 3676800 27.2957 5.56164 119.824 -6.86172 -52.5291 214.808 -20.376 102.325 -47.0889 PRESSAVG: 3676800 -17.1571 -27.199 25.5634 -27.199 45.6568 -8.32624 25.5634 -8.32634 -3.62645 GPRESSAVG: 3676800 -17.366 -27.4557 25.2897 -27.0254 46.4991 -9.37897 23.9344 -9.08044 -3.96836 TIMING: 3676800 CPU: 11012, 0.00302379/step Wall: 11012, 0.00302379/step, 1.11141 hours remaining, 206.070312 MB of memory in use. ENERGY: 3676800 776.6835 2056.3040 1937.3764 115.7788 -206361.0380 17940.7283 0.0000 0.0000 34237.2851 -149296.8820 299.0027 -183534.1672 -149205.9000 298.7596 -54.0983 -24.1074 557770.2222 8.2911 8.3882 PRESSURE: 3677000 -214.91 -23.1279 185.894 -23.1273 50.5853 39.3302 185.894 39.3314 59.2943 GPRESSURE: 3677000 -171.711 13.1832 107.657 -6.61423 -2.75071 11.7165 142.116 -9.58498 167.386 PRESSAVG: 3677000 -38.7689 39.5823 6.68728 39.5823 -32.8313 11.2741 6.68721 11.2742 33.067 GPRESSAVG: 3677000 -39.5532 36.3302 6.45353 42.4528 -32.3902 12.1153 7.32717 12.99 33.1356 TIMING: 3677000 CPU: 11012.7, 0.00305534/step Wall: 11012.7, 0.00305534/step, 1.12284 hours remaining, 206.070312 MB of memory in use. ENERGY: 3677000 788.1745 2060.8483 1978.6914 108.3380 -206486.6203 18065.4652 0.0000 0.0000 34319.3891 -149165.7138 299.7198 -183485.1029 -149070.1067 299.5495 -35.0101 -2.3585 559090.4376 -12.8444 -12.9359 PRESSURE: 3677200 -68.5924 24.2726 86.8915 24.2723 107.213 -26.7325 86.8903 -26.7296 -101.571 GPRESSURE: 3677200 -35.0901 68.7336 69.0811 69.8576 140.408 -50.9672 54.0065 -93.4838 -79.8678 PRESSAVG: 3677200 29.4996 20.9388 26.8402 20.9388 -29.0151 16.8368 26.8401 16.8367 13.5075 GPRESSAVG: 3677200 30.155 22.3798 28.7872 18.4132 -29.5565 16.8066 25.8134 16.832 13.7837 TIMING: 3677200 CPU: 11013.3, 0.00305555/step Wall: 11013.3, 0.00305555/step, 1.12274 hours remaining, 206.070312 MB of memory in use. ENERGY: 3677200 737.0902 2107.0365 1940.1117 115.8540 -206257.0339 17841.6815 0.0000 0.0000 34407.0308 -149108.2292 300.4852 -183515.2600 -149011.9604 299.2031 -20.9834 8.4833 558284.5316 4.6640 4.7941 PRESSURE: 3677400 -36.4306 1.30397 124.777 1.30321 -57.6949 79.9043 124.776 79.9036 -190.312 GPRESSURE: 3677400 -6.17836 95.5911 45.3082 -92.469 -27.3285 57.761 103.241 135.294 -150.991 PRESSAVG: 3677400 -23.5032 71.3784 2.13172 71.3785 22.9256 17.8448 2.13173 17.8448 -44.7859 GPRESSAVG: 3677400 -22.1168 70.2028 1.97042 71.6634 21.875 19.484 1.42854 17.4094 -44.4906 TIMING: 3677400 CPU: 11013.9, 0.00304036/step Wall: 11013.9, 0.00304036/step, 1.11699 hours remaining, 206.070312 MB of memory in use. ENERGY: 3677400 786.9702 2095.1789 1959.9531 113.1568 -206156.3577 17742.0639 0.0000 0.0000 34288.7862 -149170.2486 299.4525 -183459.0347 -149066.3287 299.5979 -94.8124 -61.4994 559146.4725 -15.1212 -14.9108 PRESSURE: 3677600 3.77223 1.90104 35.3791 1.9004 -264.724 80.0896 35.3793 80.0902 168.508 GPRESSURE: 3677600 28.6556 -19.0392 113.078 13.0132 -165.174 122.884 7.09338 52.5483 135.869 PRESSAVG: 3677600 -34.507 56.5436 2.37931 56.5437 44.2383 1.44976 2.37933 1.44986 -14.9634 GPRESSAVG: 3677600 -35.7726 56.6169 3.20099 56.7641 45.8096 0.541734 1.57249 2.36704 -15.4067 TIMING: 3677600 CPU: 11014.5, 0.00302066/step Wall: 11014.5, 0.00302066/step, 1.10959 hours remaining, 206.070312 MB of memory in use. ENERGY: 3677600 769.9140 2054.0337 1968.8599 101.4199 -205979.7525 17573.6103 0.0000 0.0000 34391.1072 -149120.8075 300.3461 -183511.9147 -149030.1970 299.5684 -30.8147 -0.2165 557343.9923 -1.7440 -1.7899 PRESSURE: 3677800 -31.6554 -54.0648 87.7063 -54.0644 -133.339 -160.447 87.707 -160.447 -117.176 GPRESSURE: 3677800 -29.6173 -23.1269 91.4894 -28.2783 -100.333 -137.091 37.9875 -77.6046 -72.0635 PRESSAVG: 3677800 -3.89811 -5.62285 5.69558 -5.62282 -80.582 -6.01559 5.69562 -6.01577 72.2832 GPRESSAVG: 3677800 -3.81675 -2.78311 2.94716 -5.93645 -80.7407 -4.27864 7.22434 -7.04467 72.318 TIMING: 3677800 CPU: 11015.1, 0.00304091/step Wall: 11015.1, 0.00304091/step, 1.11686 hours remaining, 206.070312 MB of memory in use. ENERGY: 3677800 718.6727 2092.7256 1963.8828 112.3653 -206043.8385 17658.8052 0.0000 0.0000 34105.4193 -149391.9675 297.8511 -183497.3869 -149301.7958 298.6604 -94.0567 -67.3378 558880.3174 -4.0656 -4.0798 PRESSURE: 3678000 -27.7607 5.62946 111.996 5.63036 97.1986 327.428 111.994 327.428 -191.125 GPRESSURE: 3678000 43.1235 44.9835 131.906 -2.50535 96.6375 248.316 102.454 362.543 -164.834 PRESSAVG: 3678000 -11.7179 1.71074 3.57609 1.71075 -17.2121 -24.9916 3.57614 -24.9916 -22.628 GPRESSAVG: 3678000 -10.8648 0.188159 3.42606 3.21372 -18.8552 -27.0654 4.14963 -25.0451 -21.6718 TIMING: 3678000 CPU: 11015.7, 0.00304888/step Wall: 11015.7, 0.00304888/step, 1.11962 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: 3678000 771.0409 2039.0207 1971.3587 118.3705 -206207.3629 17769.1230 0.0000 0.0000 34359.0375 -149179.4114 300.0660 -183538.4489 -149084.6455 298.6315 -40.5624 -8.3576 557819.3945 -17.1860 -17.1306 PRESSURE: 3678200 28.6288 -197.894 -57.2475 -197.895 -47.089 43.7693 -57.2492 43.7689 106.609 GPRESSURE: 3678200 23.4726 -107.309 27.0587 -172.435 57.0151 65.8479 -99.7641 -12.2141 95.3963 PRESSAVG: 3678200 21.3542 -13.174 -49.7637 -13.1741 37.3167 41.093 -49.7636 41.093 -61.5805 GPRESSAVG: 3678200 19.7523 -12.4854 -47.2665 -13.846 39.425 42.4545 -49.8959 40.62 -62.4677 TIMING: 3678200 CPU: 11016.3, 0.00302381/step Wall: 11016.3, 0.00302381/step, 1.11024 hours remaining, 206.070312 MB of memory in use. ENERGY: 3678200 762.2112 2121.6687 1939.2378 113.9248 -206126.4388 17686.5777 0.0000 0.0000 34514.0346 -148988.7839 301.4196 -183502.8185 -148892.6537 300.2474 29.3829 58.6280 556310.1997 -0.9699 -1.0968 PRESSURE: 3678400 -102.005 -129.486 -122.463 -129.486 -114.168 -81.3375 -122.462 -81.3377 164.812 GPRESSURE: 3678400 -4.98878 -86.5382 -125.1 -131.144 -107.398 -35.1406 -115.011 -75.7668 150.463 PRESSAVG: 3678400 -18.862 -39.3444 -50.6984 -39.3444 47.5945 18.1969 -50.6983 18.1969 -8.3002 GPRESSAVG: 3678400 -18.9484 -39.5833 -50.7529 -40.1922 47.7001 18.6597 -51.8067 17.6584 -8.52687 TIMING: 3678400 CPU: 11016.9, 0.00300229/step Wall: 11016.9, 0.00300229/step, 1.10217 hours remaining, 206.070312 MB of memory in use. ENERGY: 3678400 748.9541 2138.8172 1952.3620 105.5180 -205911.2926 17774.4778 0.0000 0.0000 34294.3255 -148896.8380 299.5009 -183191.1635 -148802.2899 300.0842 -17.1200 12.6921 557605.7462 6.8108 6.7416 PRESSURE: 3678600 202.783 23.059 138.178 23.059 25.5499 44.8022 138.177 44.8029 115.724 GPRESSURE: 3678600 274.889 47.2497 217.572 -46.9212 68.1962 33.1075 131.116 105.548 97.4798 PRESSAVG: 3678600 -2.26492 -27.888 -17.3889 -27.8881 -0.725077 16.9478 -17.389 16.9478 27.9237 GPRESSAVG: 3678600 -1.47382 -27.1099 -19.6528 -26.883 -1.84365 16.3311 -16.4537 16.706 27.4618 TIMING: 3678600 CPU: 11017.5, 0.00300522/step Wall: 11017.5, 0.00300522/step, 1.10308 hours remaining, 206.070312 MB of memory in use. ENERGY: 3678600 764.4668 2128.2679 1936.0971 126.0542 -205872.3696 17912.7289 0.0000 0.0000 34389.5567 -148615.1979 300.3326 -183004.7546 -148525.4750 300.3386 114.6855 146.8550 557763.7038 8.3112 8.0481 PRESSURE: 3678800 -108.576 5.10779 -16.0767 5.10875 -58.7617 75.864 -16.077 75.8641 -165.389 GPRESSURE: 3678800 -76.6813 -18.3111 -79.027 -67.7578 23.3776 76.0878 76.7866 91.5884 -193.015 PRESSAVG: 3678800 -58.2813 7.15026 4.58459 7.15028 32.9397 -38.7626 4.58458 -38.7625 10.7326 GPRESSAVG: 3678800 -58.3262 5.8868 5.84686 5.97546 33.2116 -39.4506 4.59818 -38.3099 10.5183 TIMING: 3678800 CPU: 11018.1, 0.00301645/step Wall: 11018.1, 0.00301645/step, 1.10704 hours remaining, 206.070312 MB of memory in use. ENERGY: 3678800 824.4928 2103.8954 1949.2017 122.5462 -205743.6204 17772.6795 0.0000 0.0000 34298.9364 -148671.8683 299.5411 -182970.8048 -148577.4758 300.9763 -110.9089 -82.1062 557875.5123 -4.8697 -4.8654 PRESSURE: 3679000 -41.7272 200.608 78.4923 200.609 -161.052 -5.45231 78.4916 -5.45143 -55.1892 GPRESSURE: 3679000 16.1326 280.795 1.63772 169.4 -106.2 39.8818 100.077 -23.961 -80.4872 PRESSAVG: 3679000 35.3859 -23.6774 -59.8229 -23.6774 19.8053 -23.0522 -59.8229 -23.0521 -1.34009 GPRESSAVG: 3679000 35.1042 -22.4662 -59.9325 -22.8631 18.7849 -21.5088 -59.6907 -24.5574 -0.809003 TIMING: 3679000 CPU: 11018.7, 0.00302683/step Wall: 11018.7, 0.00302683/step, 1.11068 hours remaining, 206.070312 MB of memory in use. ENERGY: 3679000 753.8644 2143.8894 1919.8746 112.1897 -205725.0276 17447.1647 0.0000 0.0000 34600.3175 -148747.7272 302.1732 -183348.0448 -148654.7505 301.0225 -85.9895 -56.8515 556488.0877 17.9504 17.6934 PRESSURE: 3679200 -13.9427 -6.84233 -37.7013 -6.84164 -143.123 59.7072 -37.7021 59.7075 123.718 GPRESSURE: 3679200 26.4971 -13.4977 -53.7737 23.1255 -123.353 -7.53249 -15.4636 106.449 162.63 PRESSAVG: 3679200 88.1933 -12.3461 7.85262 -12.346 1.78849 14.2271 7.85266 14.227 -43.1488 GPRESSAVG: 3679200 87.4091 -11.5919 9.34843 -11.8526 3.23615 12.1784 6.5945 15.0181 -44.303 TIMING: 3679200 CPU: 11019.3, 0.00301997/step Wall: 11019.3, 0.00301997/step, 1.10799 hours remaining, 206.070312 MB of memory in use. ENERGY: 3679200 699.6638 2130.7637 1991.7370 109.1600 -205677.1191 17596.8164 0.0000 0.0000 34277.1404 -148871.8378 299.3508 -183148.9782 -148776.9842 300.7158 -11.1162 21.9248 557029.6393 15.6110 15.4474 PRESSURE: 3679400 -132.119 8.02922 -99.9715 8.03001 71.0561 13.7326 -99.9718 13.7317 -247.423 GPRESSURE: 3679400 -84.6849 36.4959 -92.1165 -34.2903 56.4266 0.367837 -152.88 25.4269 -191.152 PRESSAVG: 3679400 36.4131 -19.2775 28.9515 -19.2776 49.2941 6.51808 28.9515 6.51812 -86.3521 GPRESSAVG: 3679400 36.2803 -20.3985 28.1787 -20.0909 48.5488 6.635 30.414 7.23248 -85.6795 TIMING: 3679400 CPU: 11019.9, 0.00306042/step Wall: 11019.9, 0.00306042/step, 1.12267 hours remaining, 206.070312 MB of memory in use. ENERGY: 3679400 760.0447 2127.2330 1946.4973 107.5945 -205508.8048 17471.1344 0.0000 0.0000 34343.8980 -148752.4028 299.9338 -183096.3009 -148659.4819 300.1677 -102.8285 -73.1368 557954.3191 -0.2150 -0.2834 PRESSURE: 3679600 -97.9597 -128.139 -34.4662 -128.139 87.0437 -95.887 -34.4672 -95.8866 -250.636 GPRESSURE: 3679600 -44.8824 -228.322 79.3532 -131.288 121.737 -117.554 -113.69 -124.53 -234.969 PRESSAVG: 3679600 -63.9376 -25.4799 -30.9906 -25.4798 60.5899 16.4004 -30.9906 16.4004 37.7687 GPRESSAVG: 3679600 -64.4134 -24.4186 -30.373 -27.1781 60.9008 16.6227 -30.9209 14.9577 38.1503 TIMING: 3679600 CPU: 11020.5, 0.00306126/step Wall: 11020.5, 0.00306126/step, 1.1228 hours remaining, 206.070312 MB of memory in use. ENERGY: 3679600 766.5347 2036.7578 1955.9968 107.6591 -205718.3164 17649.5357 0.0000 0.0000 34430.5657 -148771.2666 300.6907 -183201.8323 -148677.0751 299.8153 -87.1839 -52.7050 558178.4969 11.4737 11.5459 PRESSURE: 3679800 -128.042 -63.3639 -179.046 -63.3627 -64.4206 -102.796 -179.046 -102.796 -176.438 GPRESSURE: 3679800 -119.653 22.8269 -187.429 -112.159 -35.7959 -20.801 -205.019 -121.088 -108.322 PRESSAVG: 3679800 -46.9621 -33.5863 -54.9212 -33.5863 68.7539 -7.45791 -54.9213 -7.45799 -34.9819 GPRESSAVG: 3679800 -45.4139 -34.1241 -55.9971 -34.0519 68.4037 -6.54573 -55.4553 -8.71416 -35.8578 TIMING: 3679800 CPU: 11021.1, 0.00305959/step Wall: 11021.1, 0.00305959/step, 1.12202 hours remaining, 206.070312 MB of memory in use. ENERGY: 3679800 730.8097 2091.1076 1948.5546 109.9415 -205724.5295 17569.0226 0.0000 0.0000 34479.9516 -148795.1419 301.1220 -183275.0934 -148701.5933 300.1973 -122.9672 -87.9235 558932.8503 -4.3967 -4.2893 PRESSURE: 3680000 178.336 -24.0316 -60.983 -24.0316 101 27.0688 -60.9835 27.0691 199.662 GPRESSURE: 3680000 195.622 -27.3486 41.6511 -6.83399 128.078 18.8386 -84.7334 -16.7075 256.623 PRESSAVG: 3680000 -69.0638 -45.5132 36.2795 -45.5132 87.875 57.5661 36.2795 57.566 -25.4131 GPRESSAVG: 3680000 -70.4462 -47.317 35.9406 -41.5698 87.6947 54.2729 35.2537 58.6221 -24.4511 TIMING: 3680000 CPU: 11021.8, 0.00304804/step Wall: 11021.8, 0.00304804/step, 1.11761 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: 3680000 730.7990 2076.7475 1964.3643 109.2602 -206192.6235 18094.2683 0.0000 0.0000 34463.2686 -148753.9157 300.9763 -183217.1843 -148648.5960 300.7820 159.6660 193.4410 558821.4571 -2.2006 -2.4009 PRESSURE: 3680200 -50.4625 89.5033 -151.762 89.5035 -135.597 48.7037 -151.762 48.7037 -26.785 GPRESSURE: 3680200 -11.2826 75.4042 -124.41 112.559 -72.9431 60.2844 -142.685 17.5546 -31.7421 PRESSAVG: 3680200 -23.5159 -27.4981 32.786 -27.4981 53.6717 26.7565 32.7859 26.7566 0.764969 GPRESSAVG: 3680200 -22.0346 -26.454 32.7757 -28.2465 53.4152 26.7782 33.5499 28.2175 -0.612346 TIMING: 3680200 CPU: 11022.4, 0.00305591/step Wall: 11022.4, 0.00305592/step, 1.12033 hours remaining, 206.082031 MB of memory in use. ENERGY: 3680200 757.5005 2135.5328 1943.6368 116.2248 -205842.7319 17729.2159 0.0000 0.0000 34273.2407 -148887.3804 299.3167 -183160.6211 -148795.4064 300.3718 -70.9481 -38.6559 559382.9148 10.3069 10.2561 LDB: ============= START OF LOAD BALANCING ============== 11025.8 LDB: ============== END OF LOAD BALANCING =============== 11025.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11025.8 LDB: ============= START OF LOAD BALANCING ============== 11026.1 LDB: Largest compute 4820 load 0.026178 is 22.2% of average load 0.118133 LDB: Average compute 0.001712 is 1.4% of average load 0.118133 LDB: TIME 11026.1 LOAD: AVG 0.118133 MAX 0.222151 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.445 MB LDB: TIME 11026.1 LOAD: AVG 0.118133 MAX 0.222151 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.52 MB LDB: TIME 11026.1 LOAD: AVG 0.118133 MAX 0.222151 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11026.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11026.1 PRESSURE: 3680400 164.738 -57.2753 100.747 -57.2746 179.985 -9.02648 100.747 -9.0271 342.424 GPRESSURE: 3680400 157.466 27.4758 101.719 -67.5381 273.489 22.9956 72.6198 6.61746 353.783 PRESSAVG: 3680400 7.11799 -6.12504 3.29807 -6.12505 59.9445 15.3115 3.29822 15.3115 -0.887521 GPRESSAVG: 3680400 6.80422 -5.86834 2.99955 -8.23672 60.6955 15.3997 4.81218 15.9029 -2.33451 TIMING: 3680400 CPU: 11023, 0.00311412/step Wall: 11023, 0.00311412/step, 1.1415 hours remaining, 207.023438 MB of memory in use. ENERGY: 3680400 756.3273 2122.9841 1971.8125 117.4808 -206557.7045 18282.5271 0.0000 0.0000 34385.0738 -148921.4989 300.2934 -183306.5727 -148826.6738 300.6423 229.0490 261.5793 558038.8079 22.0583 21.7217 PRESSURE: 3680600 -227.046 59.3536 -48.9788 59.3533 55.8189 54.5403 -48.9781 54.5407 -122.864 GPRESSURE: 3680600 -193.202 129.6 -100.794 51.5668 46.6308 -14.6893 -38.6119 -62.2443 -50.6463 PRESSAVG: 3680600 -50.5271 -18.6065 -39.9317 -18.6066 -32.1425 -5.07744 -39.9317 -5.07737 40.833 GPRESSAVG: 3680600 -51.3704 -18.1764 -40.8925 -18.8796 -33.4994 -5.2239 -39.6156 -6.46121 43.0043 TIMING: 3680600 CPU: 11023.6, 0.00302757/step Wall: 11023.6, 0.00302757/step, 1.1096 hours remaining, 207.226562 MB of memory in use. ENERGY: 3680600 742.3385 2137.5409 1940.6442 112.5477 -205822.0398 17661.4261 0.0000 0.0000 34208.6696 -149018.8729 298.7528 -183227.5425 -148922.1120 299.4632 -98.0304 -65.7392 557654.6339 -13.9455 -13.9551 PRESSURE: 3680800 156.361 49.275 -13.5787 49.2765 -190.223 51.2468 -13.5784 51.2478 -249.745 GPRESSURE: 3680800 151.014 50.4352 34.8047 61.6903 -184.627 134.07 -56.0432 67.3669 -147.902 PRESSAVG: 3680800 -42.1034 21.5591 -56.1345 21.5591 26.068 -11.2279 -56.1346 -11.2281 1.57188 GPRESSAVG: 3680800 -42.8845 19.1179 -55.656 23.4336 27.317 -7.93025 -56.9116 -13.5713 0.958235 TIMING: 3680800 CPU: 11024.2, 0.00305213/step Wall: 11024.2, 0.00305213/step, 1.11844 hours remaining, 207.226562 MB of memory in use. ENERGY: 3680800 758.0285 2106.1896 1928.8297 113.6878 -205974.2809 17816.2922 0.0000 0.0000 34109.4911 -149141.7619 297.8867 -183251.2530 -149044.5371 299.4788 -94.5356 -60.5050 557994.5965 -4.8212 -4.8698 PRESSURE: 3681000 -94.9804 40.1767 -123.183 40.1758 -129.623 42.7537 -123.183 42.7527 187.442 GPRESSURE: 3681000 -66.2648 -5.25381 -137.912 76.1057 -89.4385 48.4447 -101.648 126.274 218.257 PRESSAVG: 3681000 -21.8172 16.9045 -41.5581 16.9045 -21.3288 12.8195 -41.5583 12.8195 12.4202 GPRESSAVG: 3681000 -20.3706 18.335 -41 14.3652 -22.2546 10.8885 -40.3386 15.2061 12.0372 TIMING: 3681000 CPU: 11024.8, 0.00302102/step Wall: 11024.8, 0.00302102/step, 1.10687 hours remaining, 207.226562 MB of memory in use. ENERGY: 3681000 729.5089 2111.6429 1923.1400 117.7766 -205937.9960 17718.0298 0.0000 0.0000 34245.7221 -149092.1756 299.0764 -183337.8978 -149006.3769 299.0055 -12.3871 20.8511 557641.3807 -10.2419 -10.1960 PRESSURE: 3681200 -185.484 146.582 -67.6849 146.582 -168.128 123.73 -67.6843 123.728 -433.464 GPRESSURE: 3681200 -155.484 159.439 -25.696 156.426 -159.414 121.532 -91.4972 230.659 -371.587 PRESSAVG: 3681200 3.09735 52.023 1.86353 52.0229 5.77096 67.3666 1.8636 67.3664 30.5545 GPRESSAVG: 3681200 2.07243 52.4454 1.26497 52.7635 6.41799 66.7238 -0.00120288 68.5222 30.6475 TIMING: 3681200 CPU: 11025.4, 0.00303991/step Wall: 11025.4, 0.00303991/step, 1.11362 hours remaining, 207.226562 MB of memory in use. ENERGY: 3681200 838.8423 2044.9110 1934.2005 109.6275 -205653.8705 17474.0223 0.0000 0.0000 34428.3714 -148823.8954 300.6715 -183252.2668 -148724.7303 299.9329 -262.3588 -228.8284 557562.9904 13.1409 13.0460 PRESSURE: 3681400 -58.8491 14.3426 -214.326 14.3443 -234.376 -27.3569 -214.326 -27.3561 -214.045 GPRESSURE: 3681400 -66.658 86.8012 -207.529 42.4481 -214.397 -36.7672 -225.7 -96.4685 -133.744 PRESSAVG: 3681400 -13.4335 18.0907 -7.20314 18.0906 -13.9819 5.76326 -7.2032 5.76313 -4.25181 GPRESSAVG: 3681400 -13.5626 18.364 -8.76661 20.3893 -14.3635 6.27265 -6.16342 3.98126 -4.1094 TIMING: 3681400 CPU: 11026, 0.00304704/step Wall: 11026, 0.00304704/step, 1.11606 hours remaining, 207.226562 MB of memory in use. ENERGY: 3681400 785.2764 2069.3583 1934.8136 119.1877 -205825.6841 17571.1261 0.0000 0.0000 34432.4130 -148913.5092 300.7068 -183345.9221 -148812.3794 299.9471 -169.0900 -138.2665 558553.5796 -10.5557 -10.6785 PRESSURE: 3681600 34.3364 74.1182 -74.01 74.1183 299.199 73.9401 -74.0086 73.9402 185.872 GPRESSURE: 3681600 105.626 167.474 -61.5886 9.99557 327.234 55.3673 -43.0202 126.486 195.202 PRESSAVG: 3681600 0.642174 -6.18209 -31.0938 -6.18214 26.9374 9.68274 -31.0938 9.6828 20.5254 GPRESSAVG: 3681600 1.25057 -5.55803 -28.3821 -7.16643 27.1095 9.60565 -33.2096 11.2352 19.7816 TIMING: 3681600 CPU: 11026.6, 0.00298213/step Wall: 11026.6, 0.00298213/step, 1.09212 hours remaining, 207.226562 MB of memory in use. ENERGY: 3681600 726.7527 2093.1049 1949.6046 117.9215 -206072.2443 17885.2487 0.0000 0.0000 34552.5839 -148747.0279 301.7563 -183299.6118 -148648.0642 300.1841 173.1359 209.3539 556093.8639 16.0350 16.0472 PRESSURE: 3681800 -37.4182 -11.0834 -21.4937 -11.0839 180.253 44.6388 -21.4948 44.638 93.029 GPRESSURE: 3681800 10.0662 77.2807 -35.6714 45.5037 220.482 19.4327 -18.1111 18.4159 96.7581 PRESSAVG: 3681800 -11.6794 6.2554 -52.8002 6.25536 88.0401 -41.8741 -52.8002 -41.8741 -13.4759 GPRESSAVG: 3681800 -12.5131 5.47727 -52.3602 6.6562 87.6516 -41.7108 -52.2088 -43.8652 -12.2179 TIMING: 3681800 CPU: 11027.2, 0.00301252/step Wall: 11027.2, 0.00301252/step, 1.10308 hours remaining, 207.226562 MB of memory in use. ENERGY: 3681800 751.6454 2091.8417 1960.5809 109.5044 -205836.6026 17678.0797 0.0000 0.0000 34537.0386 -148707.9118 301.6205 -183244.9505 -148609.4921 300.9688 78.6214 109.1022 556182.4210 20.9616 20.9735 PRESSURE: 3682000 44.8222 54.7356 -112.18 54.7346 196.872 -28.686 -112.18 -28.6857 33.308 GPRESSURE: 3682000 78.0888 124.507 -66.9113 -51.5696 179.762 -24.1336 -52.6703 -23.4622 104.955 PRESSAVG: 3682000 -19.9606 -6.35872 4.15124 -6.35871 -59.2033 -86.4573 4.15125 -86.4574 41.348 GPRESSAVG: 3682000 -19.7504 -7.41301 1.45176 -5.25448 -58.4072 -85.7561 3.86495 -86.8168 40.4055 TIMING: 3682000 CPU: 11027.8, 0.00302111/step Wall: 11027.8, 0.00302111/step, 1.10606 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: 3682000 769.3419 2119.5551 1940.7387 108.1723 -205986.8638 17797.5861 0.0000 0.0000 34325.5915 -148925.8781 299.7739 -183251.4697 -148829.0284 300.1733 91.6675 120.9355 558131.4901 -12.6053 -12.5840 PRESSURE: 3682200 262.455 -139.322 -71.2968 -139.322 -69.3066 -159.383 -71.2974 -159.381 41.463 GPRESSURE: 3682200 301.305 -164.006 -108.744 -104.971 -55.9899 -141.247 -74.1391 -167.947 77.969 PRESSAVG: 3682200 78.7948 26.4769 -6.6993 26.4769 -30.8602 -30.7139 -6.69929 -30.714 -5.29153 GPRESSAVG: 3682200 78.9736 25.991 -4.85746 26.7171 -31.7008 -31.236 -6.97952 -30.123 -4.78585 TIMING: 3682200 CPU: 11028.4, 0.00305365/step Wall: 11028.4, 0.00305365/step, 1.11781 hours remaining, 207.226562 MB of memory in use. ENERGY: 3682200 739.5294 2100.7227 1929.5756 102.2233 -206133.1604 17990.8264 0.0000 0.0000 34366.1723 -148904.1106 300.1283 -183270.2829 -148804.3096 300.2410 78.2036 107.7615 559637.6922 14.2144 14.1623 PRESSURE: 3682400 -72.5926 -263.414 113.767 -263.414 -198.353 154.405 113.767 154.406 112.908 GPRESSURE: 3682400 -77.8538 -249.722 93.1034 -226.504 -146.82 156.537 167.251 124.108 170.837 PRESSAVG: 3682400 27.0455 10.1308 -39.5392 10.1308 -2.36053 37.8817 -39.5391 37.8818 -18.4462 GPRESSAVG: 3682400 27.0875 12.7464 -41.1272 9.50656 -2.23576 35.9323 -37.2143 38.4807 -18.6022 TIMING: 3682400 CPU: 11029.1, 0.00302964/step Wall: 11029.1, 0.00302964/step, 1.10885 hours remaining, 207.226562 MB of memory in use. ENERGY: 3682400 721.1877 2079.2588 1904.4604 115.0612 -205628.3334 17724.7183 0.0000 0.0000 34337.5813 -148746.0657 299.8786 -183083.6470 -148648.6557 299.7764 -52.6791 -17.9458 560809.8063 2.0796 2.0832 PRESSURE: 3682600 28.337 -113.77 -15.8016 -113.77 -164.751 -139.965 -15.8013 -139.965 -94.5555 GPRESSURE: 3682600 73.9966 -133.191 -20.5269 -59.7123 -189.216 -137.135 -55.7524 -84.5809 -27.6697 PRESSAVG: 3682600 10.2608 -76.1516 -22.3646 -76.1515 37.3651 21.034 -22.3646 21.0341 -3.37719 GPRESSAVG: 3682600 10.5835 -76.1088 -21.1186 -77.1488 37.427 23.3299 -25.1407 19.7649 -3.80751 TIMING: 3682600 CPU: 11029.7, 0.00302621/step Wall: 11029.7, 0.00302621/step, 1.10742 hours remaining, 207.226562 MB of memory in use. ENERGY: 3682600 741.8798 2102.2863 1928.2247 112.4804 -206080.8853 17731.7791 0.0000 0.0000 34533.6636 -148930.5713 301.5911 -183464.2349 -148831.3743 300.0161 -76.9900 -47.6297 558564.2715 14.7495 14.7343 PRESSURE: 3682800 116.657 -89.1494 92.186 -89.1492 -406.296 93.2336 92.1846 93.2356 -432.726 GPRESSURE: 3682800 160.882 -101.574 52.7681 -170.97 -328.879 146.234 71.6929 145.295 -460.7 PRESSAVG: 3682800 13.253 -65.6974 30.3396 -65.6976 -40.3514 -1.19919 30.3396 -1.19923 -10.6112 GPRESSAVG: 3682800 13.2175 -66.9539 31.2214 -63.5282 -40.1144 -2.7001 30.2867 1.19161 -11.3901 TIMING: 3682800 CPU: 11030.3, 0.00299946/step Wall: 11030.3, 0.00299946/step, 1.09747 hours remaining, 207.226562 MB of memory in use. ENERGY: 3682800 753.0891 2127.6071 1931.6699 110.9735 -205939.8501 17582.6981 0.0000 0.0000 34505.8045 -148928.0079 301.3478 -183433.8124 -148831.5440 300.3140 -240.7886 -209.5657 558036.9945 -12.5699 -12.7623 PRESSURE: 3683000 38.1265 -1.96185 -99.2463 -1.96356 -146.375 106.433 -99.2453 106.432 159.262 GPRESSURE: 3683000 45.1137 -41.3571 -86.193 1.28758 -78.3259 73.2888 -136.534 187.083 194.536 PRESSAVG: 3683000 54.0801 -7.06841 -42.53 -7.06842 -53.4289 -14.2802 -42.5299 -14.2802 12.6417 GPRESSAVG: 3683000 52.7835 -7.53148 -42.1366 -10.2667 -53.4496 -11.2953 -41.4383 -16.1951 13.5129 TIMING: 3683000 CPU: 11030.9, 0.00300566/step Wall: 11030.9, 0.00300566/step, 1.09957 hours remaining, 207.226562 MB of memory in use. ENERGY: 3683000 768.7888 2066.4636 1959.2203 117.4652 -205927.7082 17800.9992 0.0000 0.0000 34246.6230 -148968.1482 299.0843 -183214.7711 -148870.4539 300.0456 17.0046 53.7746 557799.9060 4.4310 4.2823 PRESSURE: 3683200 183.72 -40.2601 -58.1908 -40.2599 46.2567 -179.649 -58.1899 -179.649 -26.6962 GPRESSURE: 3683200 226.125 26.849 -88.2595 -27.4576 79.3724 -193.74 31.6397 -247.688 -13.2509 PRESSAVG: 3683200 29.2059 0.946309 -57.6646 0.946294 -12.1207 7.8748 -57.6647 7.87476 10.7444 GPRESSAVG: 3683200 29.9986 2.36886 -58.6103 0.872309 -12.4507 6.03154 -56.0669 8.94129 9.65304 TIMING: 3683200 CPU: 11031.5, 0.00304945/step Wall: 11031.5, 0.00304945/step, 1.11542 hours remaining, 207.226562 MB of memory in use. ENERGY: 3683200 754.9242 2057.3008 1950.0772 105.9094 -206119.9385 18028.4712 0.0000 0.0000 34311.3171 -148911.9386 299.6493 -183223.2557 -148812.9012 299.6245 67.7600 97.4153 557435.6820 9.2766 9.0670 PRESSURE: 3683400 209.666 -43.1256 208.999 -43.1248 -97.5919 -163.173 208.999 -163.173 -210.406 GPRESSURE: 3683400 226.746 -64.8397 219.279 -88.2793 -52.2041 -138.077 215.952 -150.046 -185.136 PRESSAVG: 3683400 -51.1442 -52.529 40.0391 -52.5289 35.6552 -59.3023 40.0391 -59.3022 22.1903 GPRESSAVG: 3683400 -52.6993 -51.2615 37.5191 -53.461 36.5271 -58.3266 38.539 -60.8089 23.1306 TIMING: 3683400 CPU: 11032.1, 0.00305635/step Wall: 11032.1, 0.00305634/step, 1.11777 hours remaining, 207.226562 MB of memory in use. ENERGY: 3683400 797.6138 2142.7675 1930.1841 108.4104 -205556.2922 17777.1795 0.0000 0.0000 34104.2512 -148695.8857 297.8409 -182800.1369 -148596.6944 299.7610 -32.7770 -3.5314 558926.2135 2.2337 2.3195 PRESSURE: 3683600 9.14281 133.793 43.1765 133.792 23.3046 34.5865 43.1778 34.5877 144.351 GPRESSURE: 3683600 60.254 123.039 111.309 152.211 29.6214 61.0501 2.44811 -19.9636 187.813 PRESSAVG: 3683600 -26.9669 -34.7556 12.5791 -34.7555 25.3626 -10.2448 12.579 -10.2447 1.98279 GPRESSAVG: 3683600 -25.9734 -38.0726 14.9272 -34.2582 24.9486 -10.4417 11.9601 -9.22355 1.79717 TIMING: 3683600 CPU: 11032.7, 0.00302165/step Wall: 11032.7, 0.00302165/step, 1.10492 hours remaining, 207.226562 MB of memory in use. ENERGY: 3683600 722.4520 2162.7047 1913.8318 122.4100 -205690.5811 17749.7674 0.0000 0.0000 34508.1116 -148511.3036 301.3679 -183019.4151 -148427.9018 300.9400 58.9327 92.5627 558565.0023 0.1261 0.2575 PRESSURE: 3683800 -84.8447 55.2732 -15.1007 55.2715 -113.457 22.4812 -15.1015 22.4813 -75.7006 GPRESSURE: 3683800 -96.0182 104.72 -55.0941 39.7535 -101.11 -9.14532 26.8205 -13.8648 3.98822 PRESSAVG: 3683800 -11.0767 -2.01427 -18.2093 -2.01439 5.37516 45.6682 -18.2095 45.6681 21.647 GPRESSAVG: 3683800 -10.5186 0.300573 -18.8096 -1.56479 6.51647 44.9386 -18.2528 44.8641 20.2079 TIMING: 3683800 CPU: 11033.3, 0.00301812/step Wall: 11033.3, 0.00301812/step, 1.10346 hours remaining, 207.226562 MB of memory in use. ENERGY: 3683800 795.1438 2096.4934 1940.5051 114.9551 -205530.7668 17730.1594 0.0000 0.0000 34284.8029 -148568.7069 299.4177 -182853.5099 -148472.7047 301.8319 -91.3340 -64.3799 559184.6922 5.3152 5.4019 PRESSURE: 3684000 76.4377 44.8281 -172.838 44.8306 252.918 68.1565 -172.839 68.1577 170.27 GPRESSURE: 3684000 125.559 -24.901 -121.893 72.0708 276.114 12.3199 -217.031 64.1342 198.728 PRESSAVG: 3684000 -19.4572 36.9828 -13.1031 36.9827 -20.6208 50.2398 -13.1031 50.2398 -5.43466 GPRESSAVG: 3684000 -19.8395 35.3499 -11.7589 36.6039 -22.7553 50.9291 -12.6619 50.1659 -3.9155 TIMING: 3684000 CPU: 11033.9, 0.003032/step Wall: 11033.9, 0.003032/step, 1.10836 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: 3684000 702.8049 2086.3876 1970.0667 117.1606 -206415.2975 18135.4690 0.0000 0.0000 34650.1988 -148753.2100 302.6088 -183403.4087 -148662.8350 300.9612 166.5419 200.1337 558573.8767 -15.1709 -15.5034 PRESSURE: 3684200 206.596 22.976 -25.6173 22.9756 -43.427 -22.3088 -25.6183 -22.3073 334.266 GPRESSURE: 3684200 246.268 0.681274 -96.409 -1.02594 25.6662 5.15664 -51.8966 -79.7069 324.152 PRESSAVG: 3684200 -38.6787 12.4431 -11.3002 12.4431 -19.5023 -7.48836 -11.3001 -7.48849 63.149 GPRESSAVG: 3684200 -38.8828 14.5146 -11.8518 12.1176 -19.3371 -8.47355 -12.537 -6.66355 63.661 TIMING: 3684200 CPU: 11034.5, 0.0030346/step Wall: 11034.5, 0.0030346/step, 1.10915 hours remaining, 207.226562 MB of memory in use. ENERGY: 3684200 708.6753 2202.0302 1948.0365 109.5241 -206327.6972 17984.9655 0.0000 0.0000 34510.5920 -148863.8737 301.3896 -183374.4657 -148773.1890 300.8801 165.8117 198.6953 557912.7910 1.6560 1.8137 LDB: ============= START OF LOAD BALANCING ============== 11037.9 LDB: ============== END OF LOAD BALANCING =============== 11037.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11037.9 LDB: ============= START OF LOAD BALANCING ============== 11038.2 LDB: Largest compute 4820 load 0.025406 is 21.5% of average load 0.118074 LDB: Average compute 0.001719 is 1.5% of average load 0.118074 LDB: TIME 11038.2 LOAD: AVG 0.118074 MAX 0.223791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 11038.2 LOAD: AVG 0.118074 MAX 0.223791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.062 MB LDB: TIME 11038.2 LOAD: AVG 0.118074 MAX 0.223791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.062 MB LDB: ============== END OF LOAD BALANCING =============== 11038.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11038.2 PRESSURE: 3684400 208.237 7.39679 1.21287 7.39505 343.201 50.7559 1.21317 50.7556 -160.166 GPRESSURE: 3684400 286.781 62.2999 12.0825 24.1627 397.448 98.422 -6.85175 -9.72697 -190.889 PRESSAVG: 3684400 4.5937 -26.2947 43.8751 -26.2947 -30.5782 -36.2067 43.8752 -36.2067 13.659 GPRESSAVG: 3684400 3.85354 -27.5586 43.3518 -25.6193 -29.425 -35.673 45.0099 -36.4579 12.9307 TIMING: 3684400 CPU: 11035.1, 0.00310784/step Wall: 11035.1, 0.00310784/step, 1.13574 hours remaining, 206.253906 MB of memory in use. ENERGY: 3684400 741.9155 2066.6151 1930.5606 107.0389 -206473.6705 18003.5862 0.0000 0.0000 34693.6545 -148930.2998 302.9883 -183623.9543 -148828.9224 300.6583 130.4242 164.4467 557534.1366 -4.1085 -4.2136 PRESSURE: 3684600 -165.31 -3.07114 -126.515 -3.07225 -69.8961 -137.587 -126.516 -137.587 -190.171 GPRESSURE: 3684600 -132.553 -43.2106 -127.945 16.7243 -76.0828 -82.3046 -199.124 -189.619 -109.398 PRESSAVG: 3684600 60.6722 -35.7094 -18.4177 -35.7094 36.811 18.86 -18.4177 18.86 -35.1138 GPRESSAVG: 3684600 60.2911 -35.2789 -17.8909 -35.8696 37.6011 18.4951 -17.2491 18.4584 -35.5053 TIMING: 3684600 CPU: 11035.7, 0.00304866/step Wall: 11035.7, 0.00304866/step, 1.11395 hours remaining, 206.457031 MB of memory in use. ENERGY: 3684600 750.1900 2115.5698 1923.9094 117.3650 -205899.7685 17559.3423 0.0000 0.0000 34498.3628 -148935.0293 301.2828 -183433.3921 -148836.5755 300.7455 -141.7925 -106.0112 557683.3542 20.7898 20.7956 PRESSURE: 3684800 -46.9934 -189.833 157.963 -189.834 14.6425 -121.51 157.963 -121.51 -227.61 GPRESSURE: 3684800 -27.5893 -199.003 170.043 -165.887 46.1267 -105.711 139.183 -90.9592 -173.165 PRESSAVG: 3684800 -72.9627 -18.0486 19.0771 -18.0485 39.9781 -27.3983 19.0771 -27.3984 9.29167 GPRESSAVG: 3684800 -72.3525 -20.1776 20.5317 -17.0769 38.7766 -29.7191 16.6388 -25.0872 10.0985 TIMING: 3684800 CPU: 11036.3, 0.00303899/step Wall: 11036.3, 0.00303899/step, 1.11024 hours remaining, 206.660156 MB of memory in use. ENERGY: 3684800 734.9038 2120.2579 1940.7466 97.4034 -206142.7647 17819.6726 0.0000 0.0000 34428.8595 -149000.9208 300.6758 -183429.7804 -148905.8864 300.2258 -86.6536 -51.5427 556034.2235 -7.8976 -7.8258 PRESSURE: 3685000 -267.262 53.7339 -113.643 53.7343 -113.707 -23.3846 -113.645 -23.3827 161.32 GPRESSURE: 3685000 -230.518 103.688 -100.878 20.3903 -64.9573 -54.5971 -201.708 46.9791 181.511 PRESSAVG: 3685000 19.0403 -16.4302 -27.2745 -16.4301 -33.2704 43.1047 -27.2745 43.1047 19.806 GPRESSAVG: 3685000 19.6629 -15.6129 -27.9272 -16.7392 -33.4382 45.0503 -28.5941 41.2537 19.1235 TIMING: 3685000 CPU: 11036.9, 0.00304569/step Wall: 11036.9, 0.00304569/step, 1.11252 hours remaining, 206.660156 MB of memory in use. ENERGY: 3685000 771.5707 2141.6021 1935.1018 117.5208 -206187.8990 17797.7656 0.0000 0.0000 34421.7538 -149002.5841 300.6137 -183424.3380 -148911.3160 300.9201 -73.2164 -37.9879 557617.3968 1.8586 1.7828 PRESSURE: 3685200 7.99427 91.3518 -15.1211 91.3522 -18.4927 -33.499 -15.1216 -33.4975 275.761 GPRESSURE: 3685200 36.5006 31.7424 -46.324 73.4914 86.683 55.3632 2.37557 -151.968 245.432 PRESSAVG: 3685200 -31.0418 4.01945 -36.3655 4.01944 33.578 -18.1663 -36.3655 -18.1663 31.321 GPRESSAVG: 3685200 -31.3381 4.90117 -35.6062 4.69173 34.8347 -18.4613 -34.214 -17.5184 30.5269 TIMING: 3685200 CPU: 11037.6, 0.00304045/step Wall: 11037.6, 0.00304045/step, 1.11044 hours remaining, 206.660156 MB of memory in use. ENERGY: 3685200 725.1846 2075.7418 1945.5013 119.0896 -206083.3507 17979.1455 0.0000 0.0000 34270.5567 -148968.1311 299.2933 -183238.6878 -148861.6502 300.1437 88.4209 122.8720 559336.4669 11.2857 11.3412 PRESSURE: 3685400 -21.3561 48.926 -100.74 48.9263 -280.881 62.6259 -100.741 62.6257 -181.307 GPRESSURE: 3685400 -60.0351 43.9074 -161.915 102.738 -237.329 80.5844 -108.979 52.7557 -89.1494 PRESSAVG: 3685400 9.16562 -13.0353 50.0832 -13.0354 -54.4163 33.1823 50.083 33.1824 62.3585 GPRESSAVG: 3685400 9.42098 -11.6158 48.4534 -13.518 -55.4065 32.2715 51.2689 32.8504 63.335 TIMING: 3685400 CPU: 11038.2, 0.00304949/step Wall: 11038.2, 0.00304949/step, 1.11357 hours remaining, 206.660156 MB of memory in use. ENERGY: 3685400 792.9584 2063.3336 1922.6032 109.0940 -206003.3636 17770.9422 0.0000 0.0000 34210.3170 -149134.1152 298.7672 -183344.4322 -149043.1319 299.3743 -161.1815 -128.8377 559891.1869 5.7026 5.7832 PRESSURE: 3685600 72.6795 133.749 -190.74 133.75 -316.526 -55.5418 -190.74 -55.5427 -32.64 GPRESSURE: 3685600 100.646 204.999 -147.354 59.2691 -296.764 -48.7264 -282.984 -116.129 9.88249 PRESSAVG: 3685600 41.1136 -40.6013 -12.9191 -40.6013 -94.257 -19.0977 -12.9191 -19.0977 53.6299 GPRESSAVG: 3685600 40.7395 -41.4154 -12.2043 -40.6815 -93.0227 -18.1917 -13.7761 -18.1503 53.3211 TIMING: 3685600 CPU: 11038.8, 0.00304287/step Wall: 11038.8, 0.00304287/step, 1.11099 hours remaining, 206.660156 MB of memory in use. ENERGY: 3685600 739.8667 2056.2724 1914.9325 111.8146 -205949.7832 17762.7227 0.0000 0.0000 34338.2040 -149025.9704 299.8841 -183364.1743 -148919.4768 299.4588 -92.1622 -62.0784 559530.2750 0.1622 0.3460 PRESSURE: 3685800 163.661 -23.8232 -90.4997 -23.8213 -1.05434 -74.3573 -90.4994 -74.3587 180.618 GPRESSURE: 3685800 217.44 -19.589 -81.2548 -45.038 -6.05305 -31.2631 -40.8188 -85.2128 232.701 PRESSAVG: 3685800 24.6484 16.7638 -26.0302 16.7638 -58.0037 4.95415 -26.0302 4.95413 68.6459 GPRESSAVG: 3685800 25.9821 17.1748 -24.651 16.7609 -58.9048 3.20294 -26.3025 6.79964 68.1194 TIMING: 3685800 CPU: 11039.4, 0.00303897/step Wall: 11039.4, 0.00303897/step, 1.10939 hours remaining, 206.660156 MB of memory in use. ENERGY: 3685800 744.4678 2114.3617 1926.9630 120.6009 -206270.2678 18102.8172 0.0000 0.0000 34121.0606 -149139.9966 297.9877 -183261.0572 -149048.9090 299.3999 114.4082 148.0294 557963.9323 11.7635 11.7322 PRESSURE: 3686000 -11.1903 54.1562 15.4165 54.1562 65.7836 -77.894 15.4161 -77.8924 166.16 GPRESSURE: 3686000 64.9096 44.7138 -19.4254 -14.3805 109.471 -32.6572 57.6031 -35.1831 144.226 PRESSAVG: 3686000 -22.2162 8.65996 9.49099 8.66002 -0.538843 67.0654 9.4909 67.0653 33.4176 GPRESSAVG: 3686000 -23.3181 6.85611 6.48359 10.1632 -1.12755 68.489 11.7104 64.786 34.834 TIMING: 3686000 CPU: 11040, 0.00302259/step Wall: 11040, 0.00302259/step, 1.10324 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: 3686000 730.2005 2117.8507 1943.3665 109.1917 -206205.7628 17975.7563 0.0000 0.0000 34113.2669 -149216.1303 297.9196 -183329.3972 -149121.9021 299.6456 73.5843 106.2021 557937.9359 3.5542 3.4628 PRESSURE: 3686200 -81.3706 43.7901 -173.719 43.7899 102.168 -33.2944 -173.72 -33.2955 31.9503 GPRESSURE: 3686200 7.76133 -17.1755 -85.543 49.0238 121.504 -83.0861 -308.735 -52.8786 19.8141 PRESSAVG: 3686200 -45.1225 -6.19094 -18.4886 -6.19099 13.8723 -24.2875 -18.4886 -24.2875 40.2544 GPRESSAVG: 3686200 -44.5729 -5.55796 -18.9776 -8.46921 13.8846 -25.6979 -20.9361 -24.0011 39.5343 TIMING: 3686200 CPU: 11040.6, 0.00303396/step Wall: 11040.6, 0.00303396/step, 1.10723 hours remaining, 206.660156 MB of memory in use. ENERGY: 3686200 735.9159 2146.5804 1947.1744 111.1067 -205978.1178 17853.6230 0.0000 0.0000 33994.2141 -149189.5034 296.8799 -183183.7174 -149101.3914 299.3988 17.5827 49.6932 558920.9562 3.0014 2.9487 PRESSURE: 3686400 274.276 -24.3564 118.439 -24.3573 -291.427 115.146 118.439 115.145 -56.4948 GPRESSURE: 3686400 293.246 -48.3578 65.735 14.8548 -205.946 202.037 131.096 139.737 -71.9791 PRESSAVG: 3686400 -4.08063 -37.0131 8.75781 -37.0131 3.8696 -11.2379 8.75773 -11.238 31.9412 GPRESSAVG: 3686400 -4.5473 -38.1065 9.34693 -35.5053 4.31608 -10.6132 8.58433 -12.2956 31.8576 TIMING: 3686400 CPU: 11041.2, 0.00301354/step Wall: 11041.2, 0.00301354/step, 1.09961 hours remaining, 206.660156 MB of memory in use. ENERGY: 3686400 749.1731 2044.8589 1915.7144 122.4646 -206193.9395 17733.1821 0.0000 0.0000 34464.2765 -149164.2698 300.9851 -183628.5463 -149058.5218 299.3258 -24.5486 5.1069 557017.0078 10.5767 10.5421 PRESSURE: 3686600 -28.0051 117.665 42.3818 117.665 21.5056 124.793 42.3825 124.792 -363.288 GPRESSURE: 3686600 -32.4146 102.822 -30.6017 51.5999 75.2551 195.852 96.907 -2.61316 -313.814 PRESSAVG: 3686600 2.48634 -0.314297 27.949 -0.314253 -49.1409 3.9033 27.949 3.90333 -20.6165 GPRESSAVG: 3686600 2.12454 3.04328 27.8695 -1.33257 -49.0058 3.14545 29.5532 4.35592 -20.2014 TIMING: 3686600 CPU: 11041.8, 0.00299642/step Wall: 11041.8, 0.00299642/step, 1.0932 hours remaining, 206.660156 MB of memory in use. ENERGY: 3686600 756.5837 2060.8436 1937.3671 112.4979 -206155.3392 17616.7573 0.0000 0.0000 34206.3973 -149464.8923 298.7330 -183671.2897 -149358.1031 299.5860 -123.2626 -90.3246 556914.4317 -22.4237 -22.3609 PRESSURE: 3686800 -127.198 -9.9452 -136.661 -9.94459 -137.107 2.19013 -136.661 2.18911 -25.7821 GPRESSURE: 3686800 -125.534 -63.6717 -145.24 42.507 -90.524 -3.84832 -147.036 -20.6396 18.889 PRESSAVG: 3686800 -32.3592 -9.60172 23.3229 -9.60165 40.4758 -46.1499 23.3229 -46.1499 -33.3394 GPRESSAVG: 3686800 -32.0196 -13.574 23.4788 -7.7229 40.6041 -44.4654 22.8096 -45.8689 -34.2143 TIMING: 3686800 CPU: 11042.4, 0.00301316/step Wall: 11042.4, 0.00301316/step, 1.09913 hours remaining, 206.660156 MB of memory in use. ENERGY: 3686800 746.7673 2083.4552 1935.6742 123.0549 -206312.8738 17586.9729 0.0000 0.0000 34057.7878 -149779.1615 297.4351 -183836.9493 -149678.1155 298.3321 -96.6955 -65.7231 556010.1723 -8.4076 -8.5433 PRESSURE: 3687000 192.45 -65.3875 190.861 -65.3877 -28.4922 -25.1456 190.862 -25.147 53.1807 GPRESSURE: 3687000 228.79 -88.8217 193.944 -46.7406 56.1254 96.6795 174.314 -57.7637 35.8336 PRESSAVG: 3687000 -37.9272 -7.67272 -24.587 -7.67266 37.7967 -27.9925 -24.587 -27.9925 -4.88111 GPRESSAVG: 3687000 -37.2633 -7.1317 -25.7891 -8.92874 37.5166 -28.3193 -25.381 -28.1767 -4.66474 TIMING: 3687000 CPU: 11043, 0.00302556/step Wall: 11043, 0.00302556/step, 1.10349 hours remaining, 206.660156 MB of memory in use. ENERGY: 3687000 742.6457 2146.0950 1935.4914 112.6768 -206763.5485 18094.3080 0.0000 0.0000 34286.1993 -149446.1324 299.4299 -183732.3317 -149353.6089 298.1425 72.3795 106.9165 557315.6066 -1.6705 -1.4705 PRESSURE: 3687200 -189.74 -83.1947 29.0942 -83.1949 -99.3054 60.3594 29.0941 60.359 15.8341 GPRESSURE: 3687200 -97.0775 -107.873 29.3928 15.053 -117.696 55.1175 50.454 93.2515 36.3273 PRESSAVG: 3687200 -27.7633 17.8307 -5.6515 17.8306 78.7447 -19.3996 -5.6515 -19.3996 -23.3112 GPRESSAVG: 3687200 -28.1403 18.3442 -2.89185 19.6751 78.8359 -18.7991 -6.49488 -18.489 -23.0705 TIMING: 3687200 CPU: 11043.6, 0.00303262/step Wall: 11043.6, 0.00303262/step, 1.1059 hours remaining, 206.660156 MB of memory in use. ENERGY: 3687200 748.7490 2109.9197 1933.1920 121.3287 -206382.3430 17714.6477 0.0000 0.0000 34269.1037 -149485.4022 299.2806 -183754.5059 -149386.1804 298.5990 -91.0705 -59.4820 556360.0552 9.2234 9.2084 PRESSURE: 3687400 8.92536 -38.4333 -101.043 -38.4335 -78.8073 -72.1803 -101.043 -72.1795 250.68 GPRESSURE: 3687400 11.6924 15.9586 -39.8075 -108.562 -14.7424 15.8685 -156.391 -109.711 271.631 PRESSAVG: 3687400 -8.15557 -27.3474 -12.7458 -27.3473 -14.4564 -56.7116 -12.7459 -56.7115 -2.68742 GPRESSAVG: 3687400 -8.27201 -28.7872 -11.9965 -28.7138 -14.0656 -56.789 -13.2647 -58.2989 -2.52482 TIMING: 3687400 CPU: 11044.2, 0.00302852/step Wall: 11044.2, 0.00302852/step, 1.10423 hours remaining, 206.660156 MB of memory in use. ENERGY: 3687400 726.0061 2086.6942 1925.0634 119.1207 -206572.9847 18061.9983 0.0000 0.0000 34326.4846 -149327.6174 299.7817 -183654.1021 -149235.4796 298.8380 60.2659 89.5269 557838.8941 -8.4331 -8.2875 PRESSURE: 3687600 -244.554 -76.8966 -44.887 -76.8963 -87.9675 30.6657 -44.8883 30.6653 -282.87 GPRESSURE: 3687600 -203.887 -39.1726 -134.315 -111.21 -58.8929 85.2018 -29.7016 -20.3731 -266.107 PRESSAVG: 3687600 -17.2224 -27.2862 -35.7885 -27.2862 70.1715 -5.50827 -35.7884 -5.50829 -16.6793 GPRESSAVG: 3687600 -17.2394 -26.6296 -37.9425 -25.6682 69.8208 -6.27744 -34.8847 -4.82462 -16.2069 TIMING: 3687600 CPU: 11044.8, 0.00304216/step Wall: 11044.8, 0.00304216/step, 1.10904 hours remaining, 206.660156 MB of memory in use. ENERGY: 3687600 786.7516 2095.9687 1918.6441 106.3192 -205842.9570 17663.3531 0.0000 0.0000 34109.7235 -149162.1968 297.8887 -183271.9203 -149071.8935 299.0319 -205.1307 -176.2957 559177.3651 12.0899 12.1249 PRESSURE: 3687800 -73.8513 29.3033 107.848 29.3032 -242.904 -14.3247 107.847 -14.3249 95.6706 GPRESSURE: 3687800 3.53633 65.7607 99.5187 83.1207 -242.639 35.423 135.783 12.7423 121.688 PRESSAVG: 3687800 -0.671795 -18.9916 27.7258 -18.9916 24.0199 46.1669 27.7258 46.1669 -43.8262 GPRESSAVG: 3687800 -0.996963 -18.5373 29.2849 -19.8195 24.7302 46.2461 27.0391 46.7676 -44.1536 TIMING: 3687800 CPU: 11045.4, 0.0030528/step Wall: 11045.4, 0.0030528/step, 1.11275 hours remaining, 206.660156 MB of memory in use. ENERGY: 3687800 773.5140 2111.0989 1899.8088 107.2673 -205929.9201 17711.8750 0.0000 0.0000 34216.3523 -149110.0038 298.8199 -183326.3562 -149016.6322 299.8249 -73.6949 -39.1383 558151.6730 -6.8260 -6.8068 PRESSURE: 3688000 209.075 -37.7971 85.6672 -37.7975 -42.4501 36.6651 85.6676 36.6639 218.855 GPRESSURE: 3688000 275.435 70.0046 116.663 -36.4297 -8.65361 35.4953 110.437 93.3047 226.593 PRESSAVG: 3688000 58.1702 -6.63043 15.7483 -6.63045 -32.8522 16.9783 15.7484 16.9784 14.6202 GPRESSAVG: 3688000 58.6642 -6.53185 13.7544 -8.16658 -33.6857 17.9353 17.0819 15.5009 14.7543 TIMING: 3688000 CPU: 11046.1, 0.00309469/step Wall: 11046.1, 0.00309469/step, 1.12784 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: 3688000 724.7291 2098.7122 1956.6037 123.0104 -206275.8993 18058.5279 0.0000 0.0000 34095.5250 -149218.7910 297.7647 -183314.3160 -149118.1956 299.2159 128.4931 164.4582 558167.6801 13.3127 13.2442 PRESSURE: 3688200 178.336 -9.46672 -19.0477 -9.4677 182.824 75.0252 -19.0487 75.0244 291.65 GPRESSURE: 3688200 225.996 -45.6016 -65.879 -99.6494 190.038 -28.1944 -28.0084 134.739 337.225 PRESSAVG: 3688200 -32.486 -43.5457 -6.86544 -43.5457 27.3508 0.0457707 -6.86536 0.0457891 12.8544 GPRESSAVG: 3688200 -31.9982 -42.3341 -6.76384 -45.5195 27.3365 1.25314 -7.14823 0.429759 12.4839 TIMING: 3688200 CPU: 11046.7, 0.00305362/step Wall: 11046.7, 0.00305362/step, 1.1127 hours remaining, 206.660156 MB of memory in use. ENERGY: 3688200 730.7867 1993.9182 1919.5363 116.1721 -206362.4032 18106.5432 0.0000 0.0000 34222.4593 -149272.9875 298.8732 -183495.4467 -149179.8027 298.4951 217.6034 251.0862 557639.4690 2.5731 2.6074 LDB: ============= START OF LOAD BALANCING ============== 11050.1 LDB: ============== END OF LOAD BALANCING =============== 11050.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11050.1 LDB: ============= START OF LOAD BALANCING ============== 11050.4 LDB: Largest compute 4820 load 0.027347 is 23.2% of average load 0.118072 LDB: Average compute 0.001721 is 1.5% of average load 0.118072 LDB: TIME 11050.4 LOAD: AVG 0.118072 MAX 0.219018 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 11050.4 LOAD: AVG 0.118072 MAX 0.219018 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 11050.4 LOAD: AVG 0.118072 MAX 0.219018 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: ============== END OF LOAD BALANCING =============== 11050.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11050.4 PRESSURE: 3688400 70.2821 26.1979 111.454 26.1974 -129.04 62.5707 111.452 62.5699 -20.3195 GPRESSURE: 3688400 106.651 13.4031 151.637 63.4842 -123.905 66.8503 5.29758 55.4014 23.1509 PRESSAVG: 3688400 28.143 -85.4703 0.891699 -85.4703 -43.7474 -2.21521 0.891756 -2.21515 14.1739 GPRESSAVG: 3688400 27.4453 -86.3212 0.483203 -83.6958 -43.9391 -1.80546 1.24842 -1.74648 15.1592 TIMING: 3688400 CPU: 11047.3, 0.00311077/step Wall: 11047.3, 0.00311077/step, 1.13336 hours remaining, 206.773438 MB of memory in use. ENERGY: 3688400 766.0874 2086.8899 1932.1784 128.7667 -206524.9975 17827.1426 0.0000 0.0000 34480.1529 -149303.7796 301.1238 -183783.9324 -149213.9859 298.8401 -26.3593 1.9655 556482.3123 -0.4769 -0.4449 PRESSURE: 3688600 -142.533 -60.2859 -57.9765 -60.2857 -209.686 26.0128 -57.9764 26.0124 146.331 GPRESSURE: 3688600 -99.9867 -108.347 -143.594 -16.7529 -168.281 68.1953 40.0125 -17.2206 175.07 PRESSAVG: 3688600 58.2577 -30.0146 53.1035 -30.0145 -40.1228 -8.15217 53.1036 -8.15232 -27.3156 GPRESSAVG: 3688600 57.8102 -29.7985 51.5988 -30.7666 -39.6258 -10.3328 53.6758 -8.87657 -27.4311 TIMING: 3688600 CPU: 11047.9, 0.00305372/step Wall: 11047.9, 0.00305372/step, 1.1124 hours remaining, 206.976562 MB of memory in use. ENERGY: 3688600 760.5738 2082.1864 1960.9815 103.3966 -206217.9606 17709.0570 0.0000 0.0000 34339.3445 -149262.4209 299.8940 -183601.7654 -149169.9695 299.2578 -68.6293 -31.0658 558615.5046 -3.0602 -3.0822 PRESSURE: 3688800 64.103 132.171 147.009 132.17 -18.5793 33.8742 147.008 33.875 -252.492 GPRESSURE: 3688800 85.4313 207.785 129.526 106.39 -10.9938 81.3949 148.532 -38.3248 -181.747 PRESSAVG: 3688800 14.0896 13.5648 42.586 13.5648 18.0502 4.57141 42.5861 4.57145 -2.59104 GPRESSAVG: 3688800 15.2383 13.1147 43.7301 15.9854 17.1045 5.25864 41.8001 4.64331 -2.91288 TIMING: 3688800 CPU: 11048.5, 0.00307054/step Wall: 11048.5, 0.00307054/step, 1.11836 hours remaining, 206.976562 MB of memory in use. ENERGY: 3688800 790.0419 2079.3029 1921.9125 119.9680 -206197.8612 17916.2077 0.0000 0.0000 34064.2982 -149306.1300 297.4920 -183370.4282 -149211.9410 299.2195 -68.9896 -35.7699 557882.6316 9.8496 9.8100 PRESSURE: 3689000 40.3072 -80.6054 119.899 -80.6053 167.059 6.57015 119.898 6.56921 -62.0739 GPRESSURE: 3689000 83.7444 -73.2235 138.332 -105.275 204.7 -30.0117 125.052 0.300776 -46.2733 PRESSAVG: 3689000 -37.0547 -0.915332 33.0117 -0.915378 29.4343 47.6389 33.0117 47.6388 -9.23254 GPRESSAVG: 3689000 -38.8882 -2.09927 31.4249 -1.96864 30.4736 47.3484 34.152 47.2026 -9.0108 TIMING: 3689000 CPU: 11049.1, 0.00305993/step Wall: 11049.1, 0.00305993/step, 1.11433 hours remaining, 206.976562 MB of memory in use. ENERGY: 3689000 753.2890 2100.9196 1973.0389 114.3414 -206096.5676 17835.3516 0.0000 0.0000 34323.2661 -148996.3609 299.7536 -183319.6270 -148906.7465 299.4250 48.4307 80.7237 556069.2411 -5.6176 -5.8085 PRESSURE: 3689200 60.2206 -12.4518 32.8939 -12.4508 -135.92 -11.2106 32.8935 -11.2093 -128.22 GPRESSURE: 3689200 48.3665 28.9231 70.7965 48.9632 -78.0823 27.2375 87.1193 -14.3002 -80.5695 PRESSAVG: 3689200 19.6562 -16.0891 -13.3546 -16.089 -17.3505 23.5395 -13.3545 23.5396 25.0373 GPRESSAVG: 3689200 19.8615 -14.646 -9.55029 -15.8989 -16.8935 25.6892 -15.2437 23.3364 23.7547 TIMING: 3689200 CPU: 11049.7, 0.00303794/step Wall: 11049.7, 0.00303794/step, 1.10615 hours remaining, 206.976562 MB of memory in use. ENERGY: 3689200 735.8380 2083.7390 1957.9344 113.8723 -205870.5938 17688.5244 0.0000 0.0000 34119.0533 -149171.6325 297.9702 -183290.6858 -149078.1423 299.1927 -67.9732 -36.7618 557684.5863 9.1143 8.9076 PRESSURE: 3689400 -73.6871 139.341 -13.1555 139.342 200.341 -125.774 -13.1562 -125.775 81.5964 GPRESSURE: 3689400 -95.0846 156.819 6.78991 86.0217 211.767 -219.537 28.294 -98.785 178.905 PRESSAVG: 3689400 -16.6506 -4.00239 -25.018 -4.00234 73.187 30.4797 -25.0181 30.4797 -48.2685 GPRESSAVG: 3689400 -16.781 -1.23953 -24.6596 -4.60089 73.1806 27.945 -24.8073 31.5671 -48.1661 TIMING: 3689400 CPU: 11050.3, 0.00303133/step Wall: 11050.3, 0.00303133/step, 1.10357 hours remaining, 206.976562 MB of memory in use. ENERGY: 3689400 728.8666 2094.3168 1933.0300 101.8841 -205960.4846 17815.4323 0.0000 0.0000 34305.8230 -148981.1318 299.6013 -183286.9548 -148887.0711 299.7881 69.4167 98.5290 557478.2920 2.7560 2.7445 PRESSURE: 3689600 -58.9186 -115.076 -48.3713 -115.078 -207.702 -25.582 -48.3712 -25.5837 -54.8019 GPRESSURE: 3689600 -29.0933 -198.739 -70.3965 -77.6149 -192.774 -29.924 -64.6605 1.35918 -7.4109 PRESSAVG: 3689600 1.51637 14.4392 -47.2549 14.4391 -33.1299 -17.9122 -47.255 -17.9124 60.4497 GPRESSAVG: 3689600 1.77028 9.70691 -48.9284 13.2214 -34.6784 -18.2806 -47.5236 -18.0834 61.8977 TIMING: 3689600 CPU: 11050.9, 0.00303774/step Wall: 11050.9, 0.00303774/step, 1.10574 hours remaining, 206.976562 MB of memory in use. ENERGY: 3689600 733.6739 2078.4499 1920.9944 114.9430 -205874.6278 17737.4752 0.0000 0.0000 34131.2959 -149157.7955 298.0771 -183289.0914 -149069.6680 299.4665 -107.1410 -76.4260 559229.6149 9.6121 9.6632 PRESSURE: 3689800 -138.603 64.9666 13.1193 64.9669 -263.769 127.431 13.1188 127.432 57.1962 GPRESSURE: 3689800 -76.2336 67.8079 22.0272 58.962 -260.931 130.115 53.3477 110.4 86.2221 PRESSAVG: 3689800 -6.35048 -16.1603 -27.8304 -16.1603 -36.7007 35.2365 -27.8303 35.2364 42.4452 GPRESSAVG: 3689800 -6.83314 -14.8056 -29.212 -12.8699 -36.5618 38.0532 -25.8479 31.7592 42.8473 TIMING: 3689800 CPU: 11051.6, 0.00303355/step Wall: 11051.6, 0.00303355/step, 1.10404 hours remaining, 206.976562 MB of memory in use. ENERGY: 3689800 768.0204 2035.9285 1928.0972 114.5189 -205783.9980 17724.0127 0.0000 0.0000 34036.3978 -149177.0225 297.2483 -183213.4203 -149084.7196 299.1445 -115.0584 -83.6476 559713.2409 -0.2020 -0.1825 PRESSURE: 3690000 17.0923 23.276 7.81603 23.2752 -165.166 127.347 7.81796 127.347 -24.1649 GPRESSURE: 3690000 70.9726 28.518 -14.5804 -26.049 -100.622 192.715 37.5963 54.4036 -57.1154 PRESSAVG: 3690000 30.9037 -42.3174 15.4753 -42.3176 -13.0863 -5.23958 15.4752 -5.23963 -26.002 GPRESSAVG: 3690000 30.7772 -41.9946 17.889 -43.3584 -11.999 -7.87685 15.3311 -2.63935 -26.9983 TIMING: 3690000 CPU: 11052.2, 0.00304594/step Wall: 11052.2, 0.00304594/step, 1.10838 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: 3690000 751.1163 2053.6389 1926.2275 101.3860 -206123.5000 17851.9924 0.0000 0.0000 34344.3814 -149094.7575 299.9380 -183439.1389 -148999.7863 298.5705 -57.4129 -28.9217 558865.3896 -2.7282 -2.7400 PRESSURE: 3690200 40.4904 -30.5053 -21.8471 -30.504 -306.445 83.0599 -21.8487 83.0596 -293.123 GPRESSURE: 3690200 59.397 -49.5454 -35.9549 -53.1319 -244.441 196.911 -22.2623 12.5139 -289.315 PRESSAVG: 3690200 85.4085 -1.42322 17.9162 -1.4233 -21.116 52.1876 17.9162 52.1876 -38.4373 GPRESSAVG: 3690200 85.5447 0.0494679 14.3574 -2.33887 -20.7067 51.417 18.4256 53.1921 -39.2253 TIMING: 3690200 CPU: 11052.8, 0.00305155/step Wall: 11052.8, 0.00305155/step, 1.11025 hours remaining, 206.976562 MB of memory in use. ENERGY: 3690200 764.1023 2081.2301 1935.7831 116.4120 -206071.7011 17569.3077 0.0000 0.0000 34266.3417 -149338.5243 299.2565 -183604.8660 -149240.5243 299.4533 -186.3595 -158.1196 557508.5304 8.6184 8.5376 PRESSURE: 3690400 -189.582 -56.5829 215.631 -56.582 70.424 -36.7595 215.632 -36.7571 -1.73796 GPRESSURE: 3690400 -110.121 -16.7081 250.276 -32.1199 90.6213 -60.544 221.232 -43.0344 -5.92937 PRESSAVG: 3690400 -3.78346 -6.69174 18.8345 -6.6918 -48.7619 19.975 18.8344 19.9749 33.6178 GPRESSAVG: 3690400 -3.40378 -7.33922 21.1796 -6.76732 -48.8198 18.825 18.0814 21.3182 33.2567 TIMING: 3690400 CPU: 11053.4, 0.00303991/step Wall: 11053.4, 0.00303991/step, 1.10585 hours remaining, 206.976562 MB of memory in use. ENERGY: 3690400 713.6940 2060.9610 1954.9251 115.8137 -206114.9724 17713.4261 0.0000 0.0000 34237.4825 -149318.6700 299.0045 -183556.1525 -149230.4954 298.5028 -40.2986 -8.4765 556832.8471 -6.3092 -6.3223 PRESSURE: 3690600 -51.6126 26.9728 44.0456 26.9729 -144.426 -178.804 44.0453 -178.803 78.7564 GPRESSURE: 3690600 8.84055 -6.78234 102.844 28.3352 -73.1212 -141.761 61.9247 -126.83 45.8155 PRESSAVG: 3690600 -45.9706 -8.00115 23.1021 -8.00119 -3.18682 67.4446 23.1022 67.4446 57.2347 GPRESSAVG: 3690600 -45.695 -8.68814 22.8927 -5.78029 -3.95053 68.149 24.0566 66.1077 58.2232 TIMING: 3690600 CPU: 11054, 0.00301018/step Wall: 11054, 0.00301018/step, 1.09487 hours remaining, 206.976562 MB of memory in use. ENERGY: 3690600 742.1207 2015.5314 1948.3780 99.5243 -206179.8337 17807.0556 0.0000 0.0000 34479.5632 -149087.6606 301.1186 -183567.2239 -148988.7137 298.8894 -39.0940 -6.1551 557037.9441 2.6924 2.8592 PRESSURE: 3690800 -122.922 -196.156 212.531 -196.155 43.8745 -50.4016 212.531 -50.4012 147.313 GPRESSURE: 3690800 -109.157 -184.635 275.395 -227.42 131.492 75.4349 112.273 -67.9798 150.911 PRESSAVG: 3690800 -55.5732 -9.66151 41.4009 -9.66142 82.8003 7.87168 41.4009 7.87142 11.8902 GPRESSAVG: 3690800 -55.1995 -9.10498 41.6391 -10.7629 82.9545 11.3356 38.1506 5.50334 11.203 TIMING: 3690800 CPU: 11054.6, 0.00302144/step Wall: 11054.6, 0.00302144/step, 1.0988 hours remaining, 206.976562 MB of memory in use. ENERGY: 3690800 767.5088 2110.0811 1950.0424 109.3224 -205877.5128 17797.8114 0.0000 0.0000 34237.2316 -148905.5152 299.0023 -183142.7468 -148813.4750 299.8296 22.7554 57.7487 557140.1959 13.0391 12.9860 PRESSURE: 3691000 94.5052 100.324 111.575 100.325 -0.614954 -9.46486 111.575 -9.46576 -23.5849 GPRESSURE: 3691000 133.653 172.338 49.4141 126.406 92.5094 22.3439 138.08 -61.1846 -43.2186 PRESSAVG: 3691000 14.7201 1.0128 36.0358 1.01287 50.1088 5.54789 36.0357 5.5479 -19.5905 GPRESSAVG: 3691000 14.65 0.528802 33.7376 0.408379 50.2638 2.08164 38.0569 8.92907 -20.0013 TIMING: 3691000 CPU: 11055.2, 0.0030096/step Wall: 11055.2, 0.0030096/step, 1.09432 hours remaining, 206.976562 MB of memory in use. ENERGY: 3691000 729.5830 2096.1936 1944.6622 118.9579 -206151.7683 17838.4256 0.0000 0.0000 34514.8967 -148909.0494 301.4272 -183423.9461 -148804.2468 300.1624 23.4351 60.9813 557228.0737 15.0795 14.9708 PRESSURE: 3691200 -27.9402 -33.5374 9.62284 -33.5383 156.268 50.5621 9.62271 50.5627 88.5908 GPRESSURE: 3691200 32.3451 -15.6519 31.7709 -75.206 163.57 -11.6881 31.1038 -5.42512 119.182 PRESSAVG: 3691200 5.87655 -16.4556 -9.97432 -16.4555 29.2062 2.0867 -9.97443 2.08671 -20.1123 GPRESSAVG: 3691200 5.27363 -13.8524 -8.48945 -17.6707 28.7681 1.85973 -9.71714 3.22002 -19.516 TIMING: 3691200 CPU: 11055.8, 0.00301896/step Wall: 11055.8, 0.00301896/step, 1.09756 hours remaining, 206.976562 MB of memory in use. ENERGY: 3691200 734.0210 2099.3946 1933.7647 114.0331 -206225.4487 17987.4549 0.0000 0.0000 34524.8280 -148831.9524 301.5139 -183356.7804 -148731.8825 300.4796 72.3064 105.0323 556490.1613 4.9902 4.8419 PRESSURE: 3691400 3.58417 -29.5585 221.829 -29.559 25.6054 99.8725 221.829 99.8714 -144.026 GPRESSURE: 3691400 19.0921 -29.3529 188.343 48.9533 71.6454 182.433 240.777 16.7015 -107.676 PRESSAVG: 3691400 11.3897 -29.4987 9.86872 -29.4988 -15.3389 4.19673 9.86875 4.19666 8.97925 GPRESSAVG: 3691400 10.8576 -33.0016 9.40805 -26.067 -14.0007 5.53677 8.22274 3.11397 8.54811 TIMING: 3691400 CPU: 11056.4, 0.00305483/step Wall: 11056.4, 0.00305483/step, 1.11043 hours remaining, 206.976562 MB of memory in use. ENERGY: 3691400 747.5984 2140.0394 1920.0553 110.1491 -205815.1453 17762.8411 0.0000 0.0000 34123.7400 -149010.7220 298.0111 -183134.4621 -148912.3229 299.4865 -38.2787 -5.6463 558376.9806 1.6767 1.8017 PRESSURE: 3691600 19.1632 123.517 197.601 123.518 -87.1039 283.816 197.602 283.815 -157.454 GPRESSURE: 3691600 13.6508 139.263 146.428 57.2508 -31.6949 288.933 164.936 182.658 -87.5201 PRESSAVG: 3691600 64.391 12.3448 -2.61157 12.3448 -27.0587 27.7838 -2.61156 27.7838 15.169 GPRESSAVG: 3691600 64.6135 12.6776 -1.67532 8.31178 -28.4733 27.4274 -1.93843 29.2696 16.3437 TIMING: 3691600 CPU: 11057, 0.00305096/step Wall: 11057, 0.00305096/step, 1.10885 hours remaining, 206.976562 MB of memory in use. ENERGY: 3691600 775.4675 2089.0456 1920.8319 103.0713 -206216.3093 17808.2535 0.0000 0.0000 34441.9069 -149077.7325 300.7897 -183519.6394 -148981.2461 300.0161 -75.1315 -35.1881 557632.9445 17.5004 17.4946 PRESSURE: 3691800 45.4395 -121.237 -5.46474 -121.235 64.1324 102.385 -5.46504 102.387 0.155821 GPRESSURE: 3691800 101.545 -121.449 116.471 -91.6239 79.4794 38.1639 -106.084 179.785 26.3485 PRESSAVG: 3691800 -3.15086 4.44598 23.1565 4.44608 35.8 40.6232 23.1566 40.6232 -20.0927 GPRESSAVG: 3691800 -3.13579 6.20632 24.1711 6.20879 36.6381 41.0945 23.6636 38.0797 -21.1035 TIMING: 3691800 CPU: 11057.6, 0.00302445/step Wall: 11057.6, 0.00302445/step, 1.09905 hours remaining, 206.976562 MB of memory in use. ENERGY: 3691800 719.0187 2157.4553 1958.0831 103.4636 -205955.8438 17776.9721 0.0000 0.0000 34149.2880 -149091.5630 298.2342 -183240.8510 -148995.9435 300.1404 36.5759 69.1241 557119.1751 4.1855 4.1329 PRESSURE: 3692000 -293.029 11.9159 -240.243 11.9168 -553.44 -204.981 -240.242 -204.978 -101.236 GPRESSURE: 3692000 -294.485 105.498 -304.908 67.9878 -498.631 -152.905 -195.323 -166.811 -55.5078 PRESSAVG: 3692000 -53.2758 32.959 15.9162 32.959 -23.7146 3.89107 15.9162 3.89101 32.4338 GPRESSAVG: 3692000 -53.3955 31.0558 14.0807 35.091 -24.3081 6.15936 15.5278 3.10677 32.8102 TIMING: 3692000 CPU: 11058.2, 0.00306333/step Wall: 11058.2, 0.00306333/step, 1.11301 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: 3692000 790.2999 2063.9936 1942.7398 122.3506 -205711.5097 17397.0903 0.0000 0.0000 34239.6174 -149155.4182 299.0231 -183395.0356 -149059.2383 299.5747 -315.9018 -282.8746 557179.8730 -14.8522 -14.9645 PRESSURE: 3692200 -8.05363 -187.505 -67.5338 -187.504 53.2175 -62.9596 -67.5338 -62.959 -50.5576 GPRESSURE: 3692200 32.0766 -180.168 -18.0763 -112.132 97.9586 -92.9269 -48.3432 -43.4517 -48.2846 PRESSAVG: 3692200 5.36554 -13.1614 -31.1356 -13.1613 6.88312 37.0071 -31.1355 37.0072 24.8842 GPRESSAVG: 3692200 4.92834 -11.8673 -31.9406 -14.7096 7.40347 35.1517 -32.9771 36.7906 24.6717 TIMING: 3692200 CPU: 11058.8, 0.00304494/step Wall: 11058.8, 0.00304494/step, 1.10616 hours remaining, 206.976562 MB of memory in use. ENERGY: 3692200 743.5635 2096.9898 1920.7137 117.6680 -206258.5179 17881.3787 0.0000 0.0000 34404.9775 -149093.2267 300.4672 -183498.2042 -148997.4422 300.2418 -1.7979 27.2502 557035.5045 12.3776 12.3345 LDB: ============= START OF LOAD BALANCING ============== 11062.3 LDB: ============== END OF LOAD BALANCING =============== 11062.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11062.3 LDB: ============= START OF LOAD BALANCING ============== 11062.6 LDB: Largest compute 4820 load 0.026125 is 22.1% of average load 0.118161 LDB: Average compute 0.001721 is 1.5% of average load 0.118161 LDB: TIME 11062.6 LOAD: AVG 0.118161 MAX 0.219934 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.762 MB LDB: TIME 11062.6 LOAD: AVG 0.118161 MAX 0.219934 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.762 MB LDB: TIME 11062.6 LOAD: AVG 0.118161 MAX 0.219934 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11062.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11062.6 PRESSURE: 3692400 -225.861 -69.5812 -143.099 -69.581 -145.436 3.95089 -143.1 3.94778 -22.2712 GPRESSURE: 3692400 -192.235 -24.365 -234.636 -130.874 -60.1739 125.545 -175.408 -37.1831 -45.138 PRESSAVG: 3692400 15.4023 16.5417 -1.72222 16.5417 19.3755 53.0287 -1.72219 53.0286 -19.9142 GPRESSAVG: 3692400 15.7693 16.4703 0.433665 16.0733 18.0859 52.555 -1.06099 54.7701 -19.8319 TIMING: 3692400 CPU: 11059.5, 0.00312429/step Wall: 11059.5, 0.00312429/step, 1.13481 hours remaining, 205.433594 MB of memory in use. ENERGY: 3692400 728.9038 2105.8900 1926.6991 123.3429 -205900.4933 17532.4140 0.0000 0.0000 34333.9457 -149149.2978 299.8469 -183483.2435 -149055.4939 299.2989 -131.1895 -99.1823 557040.6202 4.9545 4.6744 PRESSURE: 3692600 8.49288 -187.524 -281.065 -187.524 18.1046 40.9838 -281.065 40.9824 130.924 GPRESSURE: 3692600 46.937 -217.314 -217.087 -106.378 7.4488 -8.07134 -262.864 58.2071 193.515 PRESSAVG: 3692600 100.885 6.06151 -21.2182 6.06157 -52.6088 5.31903 -21.2181 5.31898 -51.686 GPRESSAVG: 3692600 100.421 4.02563 -21.561 6.85829 -51.9502 5.74796 -20.1668 6.18999 -51.7826 TIMING: 3692600 CPU: 11060.1, 0.00303707/step Wall: 11060.1, 0.00303707/step, 1.10296 hours remaining, 205.433594 MB of memory in use. ENERGY: 3692600 762.5745 2046.1131 1944.9150 115.0036 -206355.8458 17986.1144 0.0000 0.0000 34292.0675 -149209.0576 299.4812 -183501.1251 -149113.8269 298.8554 52.5073 82.6337 557310.9209 -1.1366 -1.1040 PRESSURE: 3692800 -129.111 -146.166 -49.5019 -146.166 -71.9971 -11.9601 -49.5017 -11.9615 -93.2612 GPRESSURE: 3692800 -85.0597 -173.377 -166.103 -134.339 -50.178 -19.4798 55.2438 -12.1756 -64.9234 PRESSAVG: 3692800 -43.3786 23.9765 49.2557 23.9765 5.47561 60.2491 49.2557 60.2491 -11.5862 GPRESSAVG: 3692800 -44.0802 25.0273 47.6964 22.7666 6.60072 57.7849 49.5696 59.3821 -12.1243 TIMING: 3692800 CPU: 11060.7, 0.00300988/step Wall: 11060.7, 0.00300988/step, 1.09292 hours remaining, 205.433594 MB of memory in use. ENERGY: 3692800 731.0570 2113.2527 1930.9068 119.9519 -206456.7464 17794.7594 0.0000 0.0000 34334.1763 -149432.6424 299.8489 -183766.8186 -149335.0413 299.1015 -98.1232 -66.7204 556999.5115 -16.4964 -16.5346 PRESSURE: 3693000 -143.436 103.245 73.6397 103.244 250.135 -41.1892 73.6402 -41.1896 154.626 GPRESSURE: 3693000 -86.8319 191.407 40.2416 -54.8763 285.246 -36.6065 45.2043 26.731 163.709 PRESSAVG: 3693000 -34.6117 -58.427 -15.1288 -58.4271 3.89334 -11.2003 -15.1289 -11.2002 44.1461 GPRESSAVG: 3693000 -34.4429 -58.8797 -13.7451 -56.9939 3.73048 -10.6729 -16.94 -9.41224 44.227 TIMING: 3693000 CPU: 11061.3, 0.00303968/step Wall: 11061.3, 0.00303968/step, 1.10357 hours remaining, 205.433594 MB of memory in use. ENERGY: 3693000 729.2049 2072.1216 1924.5267 120.3451 -206484.8661 17912.1963 0.0000 0.0000 34174.3758 -149552.0956 298.4533 -183726.4714 -149453.6636 298.5779 87.1082 120.7075 556986.6992 4.4759 4.5049 PRESSURE: 3693200 133.325 -152.192 104.234 -152.193 368.511 -231.682 104.233 -231.682 33.6147 GPRESSURE: 3693200 149.176 -120.656 75.3605 -175.526 425.938 -192.015 132.863 -267.188 51.2409 PRESSAVG: 3693200 -52.08 -18.1555 -12.9051 -18.1555 10.3319 -85.6681 -12.905 -85.6683 48.6671 GPRESSAVG: 3693200 -51.8114 -16.3455 -11.0662 -20.6665 10.0724 -82.5222 -12.1497 -85.6403 48.9218 TIMING: 3693200 CPU: 11061.9, 0.00302033/step Wall: 11061.9, 0.00302033/step, 1.09638 hours remaining, 205.433594 MB of memory in use. ENERGY: 3693200 732.2039 2117.6507 1934.5092 118.2486 -206726.1357 18097.9594 0.0000 0.0000 34165.8721 -149559.6917 298.3791 -183725.5638 -149459.0626 298.2609 178.4834 208.7850 555900.2947 2.3063 2.3943 PRESSURE: 3693400 374.487 -60.4947 -63.0543 -60.496 -109.584 -9.33151 -63.0538 -9.33203 -28.653 GPRESSURE: 3693400 369.733 -52.8142 -82.0964 -113.536 -59.5772 -55.5671 91.0267 -102.646 26.3904 PRESSAVG: 3693400 3.82604 -7.22541 48.1466 -7.22538 -6.16898 -74.955 48.1466 -74.9551 -0.903526 GPRESSAVG: 3693400 3.65773 -7.92806 44.729 -6.4131 -7.20655 -75.0897 51.5765 -77.8297 0.0466468 TIMING: 3693400 CPU: 11062.5, 0.00300456/step Wall: 11062.5, 0.00300456/step, 1.09049 hours remaining, 205.433594 MB of memory in use. ENERGY: 3693400 764.8441 2101.9751 1942.6280 111.2850 -206499.4044 17949.8539 0.0000 0.0000 34089.7044 -149539.1140 297.7139 -183628.8184 -149447.7029 298.6400 78.7502 112.1819 556637.2049 -1.0822 -1.1674 PRESSURE: 3693600 217.369 -73.5348 3.60322 -73.5348 -135.213 -144.941 3.6022 -144.942 -206.883 GPRESSURE: 3693600 242.832 7.66157 -50.7136 -149.023 -65.41 -147.349 18.6327 -92.1092 -206.109 PRESSAVG: 3693600 4.88743 -21.5801 26.3454 -21.5802 -6.89389 -11.5866 26.3454 -11.5865 5.06299 GPRESSAVG: 3693600 5.90433 -21.7121 26.0219 -23.3281 -6.01675 -12.7213 23.051 -11.2524 2.93557 TIMING: 3693600 CPU: 11063.1, 0.00300804/step Wall: 11063.1, 0.00300804/step, 1.09159 hours remaining, 205.433594 MB of memory in use. ENERGY: 3693600 699.2117 2174.4525 1947.8069 112.7509 -206325.9538 17609.5832 0.0000 0.0000 34210.1750 -149571.9736 298.7660 -183782.1486 -149483.3901 298.4993 -41.5756 -9.5622 555778.3629 1.0188 0.9411 PRESSURE: 3693800 -147.993 -173.952 -22.2858 -173.951 150.112 127.342 -22.2844 127.344 -70.9415 GPRESSURE: 3693800 -47.0867 -240.047 -85.57 -66.8698 125.747 105.51 -80.3421 155.764 -27.2184 PRESSAVG: 3693800 79.1795 -35.0933 -13.8282 -35.0933 46.2364 -49.617 -13.8282 -49.6169 -104.607 GPRESSAVG: 3693800 79.0396 -35.3344 -10.8934 -34.1944 45.7007 -49.5113 -13.1499 -47.0242 -103.797 TIMING: 3693800 CPU: 11063.7, 0.00300177/step Wall: 11063.7, 0.00300177/step, 1.08914 hours remaining, 205.433594 MB of memory in use. ENERGY: 3693800 735.1742 2129.6471 1925.1448 121.6544 -206566.1931 17810.1124 0.0000 0.0000 34245.7049 -149598.7553 299.0763 -183844.4602 -149499.7300 298.6063 -22.9408 17.1472 554883.8807 6.9362 6.9811 PRESSURE: 3694000 -23.396 35.6887 57.3041 35.6875 -154.764 -15.8636 57.3036 -15.8641 126.71 GPRESSURE: 3694000 53.8439 47.1074 -10.0546 60.9088 -81.1793 -13.9563 157.853 -15.3674 65.13 PRESSAVG: 3694000 -60.231 -28.6394 27.0969 -28.6394 6.3444 45.2757 27.0969 45.2757 6.08703 GPRESSAVG: 3694000 -60.9002 -27.926 27.0188 -28.0002 6.67073 45.5347 26.7023 44.893 6.44139 TIMING: 3694000 CPU: 11064.3, 0.00299257/step Wall: 11064.3, 0.00299257/step, 1.08564 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: 3694000 719.0225 2158.7481 1936.7208 110.8727 -206220.7737 17735.6923 0.0000 0.0000 33919.3264 -149640.3910 296.2259 -183559.7173 -149543.3729 298.9757 -17.1498 12.5982 555219.9951 -15.9332 -15.9293 PRESSURE: 3694200 33.1883 -74.8657 -43.4837 -74.866 94.7684 -16.964 -43.485 -16.9635 -115.23 GPRESSURE: 3694200 2.05217 -4.74202 4.08142 -35.6144 106.922 1.9306 -142.835 -43.2203 1.05253 PRESSAVG: 3694200 -37.8064 80.5014 4.7297 80.5013 5.81501 21.5861 4.72966 21.5861 33.279 GPRESSAVG: 3694200 -39.0318 80.3072 3.86561 81.3586 6.07448 22.1982 4.50523 19.2493 34.3373 TIMING: 3694200 CPU: 11064.9, 0.00303215/step Wall: 11064.9, 0.00303215/step, 1.09983 hours remaining, 205.433594 MB of memory in use. ENERGY: 3694200 763.5850 2111.7421 1929.2712 123.4592 -206756.1713 17988.2476 0.0000 0.0000 34223.2411 -149616.6252 298.8801 -183839.8663 -149507.0635 299.0926 4.2423 36.6755 557122.6874 0.4292 0.4600 PRESSURE: 3694400 -115.699 -3.4456 -259.424 -3.44619 -158.223 105.689 -259.425 105.688 -325.482 GPRESSURE: 3694400 -57.8452 -81.3332 -214.886 24.2823 -131.272 130.638 -243.205 142.937 -323.588 PRESSAVG: 3694400 23.0691 -58.3094 -9.97566 -58.3094 16.4528 9.79736 -9.97568 9.7974 -108.288 GPRESSAVG: 3694400 23.8782 -59.2866 -11.3332 -59.8392 17.4317 11.2055 -10.2204 10.3846 -110.073 TIMING: 3694400 CPU: 11065.5, 0.00306116/step Wall: 11065.5, 0.00306116/step, 1.11018 hours remaining, 205.433594 MB of memory in use. ENERGY: 3694400 728.7343 2112.8156 1935.0688 107.5990 -206356.8612 17771.4970 0.0000 0.0000 33887.8473 -149813.2993 295.9510 -183701.1466 -149713.8170 297.0975 -199.8011 -170.9019 560380.2759 -22.9222 -22.9212 PRESSURE: 3694600 85.5416 -45.1007 74.9276 -45.1006 205.526 111.901 74.928 111.903 -165.139 GPRESSURE: 3694600 119.601 -81.2556 133.554 -34.3002 244.574 102.859 64.3057 65.3097 -145.396 PRESSAVG: 3694600 29.1295 -0.661138 -0.0528956 -0.661138 24.9796 11.8772 -0.052957 11.8771 -73.1941 GPRESSAVG: 3694600 29.8823 -1.13384 1.88123 0.352933 23.1821 9.77669 -0.962613 13.7066 -72.5785 TIMING: 3694600 CPU: 11066.1, 0.00302212/step Wall: 11066.1, 0.00302212/step, 1.09585 hours remaining, 205.433594 MB of memory in use. ENERGY: 3694600 732.2738 2111.7184 1948.6510 121.2385 -206745.5082 18058.5075 0.0000 0.0000 34201.3878 -149571.7312 298.6892 -183773.1190 -149476.2308 297.7041 41.9762 72.9264 557515.8534 -6.3617 -6.5047 PRESSURE: 3694800 -340.569 15.9621 59.2669 15.9617 -189.571 -99.0889 59.2667 -99.0871 -204.946 GPRESSURE: 3694800 -317.814 0.0194811 156.201 169.388 -153.789 -90.3482 29.1003 -78.1238 -166.202 PRESSAVG: 3694800 28.9387 -34.7349 -26.053 -34.7348 26.7236 -18.8505 -26.053 -18.8507 -42.4716 GPRESSAVG: 3694800 29.811 -33.784 -28.1207 -35.2587 25.6934 -18.5438 -23.8213 -17.3461 -41.9604 TIMING: 3694800 CPU: 11066.7, 0.00305556/step Wall: 11066.7, 0.00305556/step, 1.10781 hours remaining, 205.433594 MB of memory in use. ENERGY: 3694800 745.2833 2083.6607 1904.3120 113.3680 -206152.1995 17455.6276 0.0000 0.0000 34349.2766 -149500.6714 299.9808 -183849.9480 -149399.2727 298.9313 -245.0285 -212.6018 557417.3603 4.3969 4.5147 PRESSURE: 3695000 -204.479 110.682 -8.08077 110.682 -56.2587 26.3017 -8.08228 26.3032 -77.2568 GPRESSURE: 3695000 -116.617 18.9583 -0.914303 119.006 -24.0985 -28.5309 46.5618 108.878 -88.7084 PRESSAVG: 3695000 -40.1579 -11.7345 -2.67155 -11.7346 -44.7058 52.8754 -2.67154 52.8754 36.867 GPRESSAVG: 3695000 -40.6233 -10.7635 -2.02184 -10.988 -42.8645 55.1695 -4.25701 50.1592 35.9871 TIMING: 3695000 CPU: 11067.3, 0.00301672/step Wall: 11067.3, 0.00301672/step, 1.09356 hours remaining, 205.433594 MB of memory in use. ENERGY: 3695000 780.0843 2094.5570 1948.3355 105.5345 -206346.1649 17823.3911 0.0000 0.0000 34182.5398 -149411.7226 298.5246 -183594.2624 -149309.1067 298.8172 -112.6647 -76.4747 557424.6513 -15.9989 -15.8335 PRESSURE: 3695200 -163.371 -28.677 -92.8894 -28.6772 41.1495 -11.3864 -92.8888 -11.3857 170.338 GPRESSURE: 3695200 -175.547 5.94079 -138.469 -54.8977 92.9196 11.8443 -66.95 -85.3049 220.984 PRESSAVG: 3695200 -25.581 -6.3702 3.97673 -6.37022 60.1997 15.0724 3.97671 15.0725 -4.76849 GPRESSAVG: 3695200 -26.5363 -7.01288 4.91921 -7.49284 60.8329 13.9119 4.2875 15.5037 -4.47366 TIMING: 3695200 CPU: 11067.9, 0.00303041/step Wall: 11067.9, 0.00303041/step, 1.09836 hours remaining, 205.433594 MB of memory in use. ENERGY: 3695200 769.4274 2063.2391 1948.2950 100.2111 -206508.3661 17976.7922 0.0000 0.0000 34208.3454 -149442.0558 298.7500 -183650.4012 -149347.7107 299.2337 16.0389 46.1190 558190.4807 9.9501 9.9410 PRESSURE: 3695400 -212.763 78.4907 153.82 78.4904 -137.263 52.2022 153.82 52.2015 -58.0844 GPRESSURE: 3695400 -155.625 82.791 153.491 61.936 -125.123 54.6652 201.937 8.38124 -39.6491 PRESSAVG: 3695400 -69.5194 35.5652 40.0094 35.5652 44.3102 25.7506 40.0094 25.7505 -13.8994 GPRESSAVG: 3695400 -69.9541 35.2089 39.7461 37.2418 45.2408 25.9261 41.5963 26.4432 -14.3492 TIMING: 3695400 CPU: 11068.5, 0.00302317/step Wall: 11068.5, 0.00302317/step, 1.09556 hours remaining, 205.433594 MB of memory in use. ENERGY: 3695400 756.5618 2130.6737 1959.9102 106.0065 -206091.4202 17501.6635 0.0000 0.0000 34142.4690 -149494.1354 298.1747 -183636.6044 -149398.1994 298.5990 -136.0367 -106.7990 557455.8947 -13.0362 -13.0208 PRESSURE: 3695600 70.9384 67.6542 94.4436 67.6553 -207.212 98.7921 94.4442 98.7912 -290.029 GPRESSURE: 3695600 92.5732 7.23315 -12.1975 25.9961 -159.339 121.72 130.464 96.5222 -259.738 PRESSAVG: 3695600 -14.9707 48.7902 43.191 48.7903 18.265 30.729 43.191 30.7289 -22.1803 GPRESSAVG: 3695600 -14.0411 49.3762 41.1184 48.7568 17.1819 31.4351 41.0895 31.0616 -21.8907 TIMING: 3695600 CPU: 11069.1, 0.00303613/step Wall: 11069.1, 0.00303613/step, 1.10009 hours remaining, 205.433594 MB of memory in use. ENERGY: 3695600 774.0586 2119.0578 1923.0338 113.5645 -206529.4522 17766.5639 0.0000 0.0000 34273.2692 -149559.9044 299.3170 -183833.1736 -149459.2999 298.5510 -142.1010 -108.8347 556687.9549 -6.2953 -6.2500 PRESSURE: 3695800 283.656 -83.006 146.246 -83.0054 69.4633 88.2129 146.246 88.2136 282.494 GPRESSURE: 3695800 369.438 -69.4933 138.321 -31.0538 71.6231 163.689 116.34 140.823 304.644 PRESSAVG: 3695800 -3.64366 -12.5556 7.24329 -12.5556 29.5491 -2.84032 7.2433 -2.8404 -15.9506 GPRESSAVG: 3695800 -2.27144 -13.9814 8.50163 -12.1983 27.9803 -3.85334 7.73976 -1.28876 -15.7426 TIMING: 3695800 CPU: 11069.7, 0.00303934/step Wall: 11069.7, 0.00303934/step, 1.10109 hours remaining, 205.433594 MB of memory in use. ENERGY: 3695800 773.8092 2053.0051 1954.9498 117.8768 -206845.8941 18234.9743 0.0000 0.0000 34183.4626 -149527.8163 298.5327 -183711.2789 -149436.4165 298.7724 211.8711 248.5683 555813.0930 3.3183 3.3221 PRESSURE: 3696000 125.14 -82.919 -6.60126 -82.9191 -18.855 18.1305 -6.60135 18.1311 -237.076 GPRESSURE: 3696000 160.254 -79.4404 -77.1657 -79.7604 -18.2361 -26.4503 -67.7492 63.8517 -164.443 PRESSAVG: 3696000 56.5332 -30.0068 -19.9072 -30.0068 -18.4205 6.39242 -19.9072 6.39235 -21.0609 GPRESSAVG: 3696000 55.2345 -30.2031 -19.1224 -30.1048 -17.4903 6.25391 -20.2513 3.58708 -21.274 TIMING: 3696000 CPU: 11070.4, 0.00303039/step Wall: 11070.4, 0.00303039/step, 1.09768 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: 3696000 763.7594 2094.2321 1931.6767 121.3100 -206263.6788 17760.0766 0.0000 0.0000 34232.0249 -149360.5991 298.9568 -183592.6240 -149270.6329 298.5761 -43.5972 -7.4749 558536.3815 5.6839 5.4901 PRESSURE: 3696200 -277.807 22.8448 -163.382 22.8453 -1.69375 -52.581 -163.382 -52.5803 35.8813 GPRESSURE: 3696200 -312.255 3.12187 -179.741 51.0395 46.9981 -55.5134 -144.505 -0.203585 111.626 PRESSAVG: 3696200 27.633 21.8874 43.1378 21.8875 16.2771 17.0245 43.1378 17.0245 -13.7009 GPRESSAVG: 3696200 27.435 23.6229 43.167 19.4731 16.9704 15.745 42.8647 18.2417 -14.2303 TIMING: 3696200 CPU: 11071, 0.00303601/step Wall: 11071, 0.00303601/step, 1.09954 hours remaining, 205.433594 MB of memory in use. ENERGY: 3696200 768.2163 2055.6700 1922.0908 121.1348 -206385.8882 17800.7666 0.0000 0.0000 34513.0770 -149204.9327 301.4113 -183718.0098 -149099.8203 299.7742 -81.2063 -51.2104 558334.4114 10.0697 10.0584 LDB: ============= START OF LOAD BALANCING ============== 11074.4 LDB: ============== END OF LOAD BALANCING =============== 11074.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11074.4 LDB: ============= START OF LOAD BALANCING ============== 11074.7 LDB: Largest compute 4820 load 0.025855 is 21.9% of average load 0.118199 LDB: Average compute 0.001720 is 1.5% of average load 0.118199 LDB: TIME 11074.7 LOAD: AVG 0.118199 MAX 0.220227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.879 MB LDB: TIME 11074.7 LOAD: AVG 0.118199 MAX 0.220227 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.082 MB LDB: TIME 11074.7 LOAD: AVG 0.118199 MAX 0.220227 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.082 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11074.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11074.7 PRESSURE: 3696400 105.733 -74.2045 21.9845 -74.2053 154.899 -234.745 21.9844 -234.744 30.0466 GPRESSURE: 3696400 156.224 -101.749 -38.5521 -6.4994 138.927 -274.371 92.5853 -214.877 89.071 PRESSAVG: 3696400 -43.942 -5.29846 67.7053 -5.29843 9.70627 -36.1668 67.7054 -36.1667 9.86815 GPRESSAVG: 3696400 -44.846 -5.62636 65.8317 -4.17726 9.83476 -35.2388 69.2119 -37.2392 10.1404 TIMING: 3696400 CPU: 11071.6, 0.00309604/step Wall: 11071.6, 0.00309604/step, 1.12111 hours remaining, 206.136719 MB of memory in use. ENERGY: 3696400 765.6833 2094.5717 1936.8814 134.4680 -206325.3174 17882.3744 0.0000 0.0000 34257.6318 -149253.7069 299.1804 -183511.3388 -149156.3340 299.7951 96.8930 128.0738 556636.6711 -8.1225 -8.2903 PRESSURE: 3696600 -96.6026 -54.6216 77.8782 -54.6212 -32.5503 -82.3071 77.8768 -82.3063 88.4175 GPRESSURE: 3696600 -119.069 -132.232 124.808 -17.9512 4.26968 -161.589 11.5472 44.0882 167.008 PRESSAVG: 3696600 -36.9741 34.2502 2.55306 34.2502 -9.72545 -49.6434 2.55306 -49.6434 38.2646 GPRESSAVG: 3696600 -35.872 32.5812 3.6049 33.8122 -11.1405 -49.6546 2.81026 -47.7514 39.002 TIMING: 3696600 CPU: 11072.2, 0.00303618/step Wall: 11072.2, 0.00303618/step, 1.09927 hours remaining, 206.136719 MB of memory in use. ENERGY: 3696600 743.1292 2119.1001 1950.3483 110.4393 -205934.1233 17691.0536 0.0000 0.0000 34113.7696 -149206.2832 297.9240 -183320.0527 -149103.9551 299.5577 -13.5784 17.4032 557159.8143 -2.8116 -2.6702 PRESSURE: 3696800 -189.48 -242.77 127.817 -242.771 227.715 -73.0635 127.818 -73.0631 218.951 GPRESSURE: 3696800 -97.1144 -260.742 82.2315 -174.323 270.358 11.6419 186.201 -140.115 179.425 PRESSAVG: 3696800 -17.4707 -66.924 30.701 -66.9241 -9.13625 -28.7685 30.7009 -28.7686 30.6184 GPRESSAVG: 3696800 -17.3156 -65.3824 31.7024 -69.7615 -7.38286 -27.971 31.0995 -29.1927 29.5983 TIMING: 3696800 CPU: 11072.8, 0.00301679/step Wall: 11072.8, 0.00301679/step, 1.09208 hours remaining, 206.136719 MB of memory in use. ENERGY: 3696800 716.6786 2142.5181 1944.0407 120.8351 -206251.1731 17853.6252 0.0000 0.0000 34344.8529 -149128.6225 299.9421 -183473.4754 -149025.5912 299.5882 85.7289 117.5561 557712.3146 1.3372 1.6333 PRESSURE: 3697000 260.33 -107.317 177.021 -107.318 29.3332 102.688 177.021 102.688 -75.9328 GPRESSURE: 3697000 295.425 -143.071 179.594 -178.82 75.3717 145.887 165.533 50.6321 -46.6969 PRESSAVG: 3697000 -34.8051 37.3547 45.2207 37.3548 48.7543 41.939 45.2208 41.939 11.8618 GPRESSAVG: 3697000 -33.0896 36.6667 44.6218 39.9009 46.9191 42.7249 43.7614 40.9917 12.3816 TIMING: 3697000 CPU: 11073.4, 0.00304004/step Wall: 11073.4, 0.00304004/step, 1.10033 hours remaining, 206.136719 MB of memory in use. ENERGY: 3697000 777.8116 2099.7774 1942.3897 108.9023 -206343.1968 18045.8868 0.0000 0.0000 34320.9454 -149047.4838 299.7334 -183368.4292 -148952.9118 299.6597 71.2434 108.0333 557657.1975 8.6037 8.7371 PRESSURE: 3697200 -34.7203 -7.28121 119.48 -7.28012 -254.48 29.8743 119.48 29.8743 -64.2127 GPRESSURE: 3697200 -13.9394 -17.5285 85.3747 15.1916 -195.376 60.3235 97.5734 19.4918 -44.4445 PRESSAVG: 3697200 35.7109 -4.33631 31.2386 -4.33626 44.5968 8.57963 31.2387 8.57962 -69.1511 GPRESSAVG: 3697200 33.6661 -5.43217 31.8671 -4.07751 45.5439 9.465 31.6314 8.62979 -67.7276 TIMING: 3697200 CPU: 11074, 0.00301731/step Wall: 11074, 0.00301731/step, 1.09193 hours remaining, 206.136719 MB of memory in use. ENERGY: 3697200 728.0749 2089.6400 1966.9535 114.3397 -206251.6281 17802.5155 0.0000 0.0000 34441.3822 -149108.7223 300.7852 -183550.1045 -149009.4439 300.1870 -117.8042 -84.5867 558571.2078 3.7189 3.8274 PRESSURE: 3697400 12.4917 61.7478 -114.871 61.7474 -210.295 -10.3805 -114.871 -10.3805 -48.9292 GPRESSURE: 3697400 38.8745 106.817 4.19726 32.5002 -113.252 -6.5394 -216.276 -38.322 -76.6401 PRESSAVG: 3697400 -6.23248 -23.59 -10.8776 -23.5899 1.93677 -3.85614 -10.8775 -3.8562 -24.8899 GPRESSAVG: 3697400 -3.87773 -21.0517 -11.9351 -26.1809 2.05212 -5.41776 -12.2617 -4.47362 -27.2033 TIMING: 3697400 CPU: 11074.6, 0.00303434/step Wall: 11074.6, 0.00303434/step, 1.09793 hours remaining, 206.136719 MB of memory in use. ENERGY: 3697400 769.0927 2096.2364 1932.5853 112.4396 -205776.4689 17708.9063 0.0000 0.0000 34071.1074 -149086.1012 297.5515 -183157.2086 -148986.7172 299.0210 -82.2442 -50.3391 559400.7281 -9.7285 -9.6763 PRESSURE: 3697600 -75.2292 -40.4745 66.3299 -40.4752 35.1603 59.1536 66.3305 59.1524 -95.0027 GPRESSURE: 3697600 -34.6221 41.9567 118.852 -16.6653 19.9417 -28.4812 20.8182 36.9717 -27.4354 PRESSAVG: 3697600 79.855 26.932 5.35503 26.9321 -21.5654 -14.6233 5.35491 -14.6234 -34.1486 GPRESSAVG: 3697600 79.0446 25.983 3.96945 28.0665 -21.5063 -13.3152 6.17228 -13.6262 -33.9772 TIMING: 3697600 CPU: 11075.2, 0.003029/step Wall: 11075.2, 0.003029/step, 1.09582 hours remaining, 206.136719 MB of memory in use. ENERGY: 3697600 736.5226 2086.3602 1932.3863 108.6285 -206166.7349 17741.6213 0.0000 0.0000 34277.7272 -149283.4889 299.3559 -183561.2160 -149189.5263 299.2881 -45.0239 -14.0386 558423.9486 8.0470 7.8537 PRESSURE: 3697800 243.526 166.89 276.403 166.891 27.1164 -126.2 276.403 -126.201 -34.0047 GPRESSURE: 3697800 247.648 141.526 256.899 89.281 138.893 -128.429 299.776 -83.1672 -61.1667 PRESSAVG: 3697800 8.42406 26.2459 9.04237 26.2459 20.2123 37.018 9.04244 37.018 -11.6059 GPRESSAVG: 3697800 6.47518 25.9624 11.4099 26.282 21.0276 36.2617 8.8841 37.973 -11.0604 TIMING: 3697800 CPU: 11075.8, 0.00302168/step Wall: 11075.8, 0.00302168/step, 1.09301 hours remaining, 206.136719 MB of memory in use. ENERGY: 3697800 758.2031 2085.0952 1928.0656 121.6922 -206228.5760 17967.9559 0.0000 0.0000 34084.3250 -149283.2391 297.6669 -183367.5641 -149186.7115 299.2563 78.8792 108.4581 558884.8938 5.6768 5.4808 PRESSURE: 3698000 -65.0692 -105.758 51.4743 -105.759 -31.2562 13.3141 51.4734 13.3137 287.326 GPRESSURE: 3698000 -25.5 -110.577 85.6148 -31.5 -27.4057 87.0436 60.1912 -62.8232 332.26 PRESSAVG: 3698000 4.42082 -9.8843 -14.3547 -9.88424 -42.9623 -7.94248 -14.3547 -7.94252 35.1857 GPRESSAVG: 3698000 5.82967 -11.0133 -14.5367 -9.3096 -43.0711 -7.51256 -14.5244 -7.7464 34.3611 TIMING: 3698000 CPU: 11076.4, 0.00300982/step Wall: 11076.4, 0.00300982/step, 1.08855 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: 3698000 764.7928 2074.1697 1956.0270 115.3856 -206479.9943 18167.3588 0.0000 0.0000 34228.8937 -149173.3667 298.9294 -183402.2604 -149073.1551 298.7886 63.6667 93.1180 557348.4533 -1.1186 -0.9601 PRESSURE: 3698200 -207.359 142.693 94.4517 142.692 -89.769 107.464 94.4516 107.465 -343.793 GPRESSURE: 3698200 -218.596 146.822 9.37265 105.126 -40.3231 99.9455 142.138 107.373 -291.069 PRESSAVG: 3698200 -54.9428 -4.56006 -5.53564 -4.56003 24.7622 -26.0479 -5.5356 -26.0479 14.3525 GPRESSAVG: 3698200 -55.1625 -3.52961 -6.1291 -6.20658 24.3323 -28.7251 -6.49056 -27.1306 15.1816 TIMING: 3698200 CPU: 11077, 0.00305036/step Wall: 11077, 0.00305036/step, 1.10304 hours remaining, 206.136719 MB of memory in use. ENERGY: 3698200 814.8307 2063.7223 1943.2144 106.6511 -206050.4096 17675.6861 0.0000 0.0000 34289.3544 -149156.9507 299.4575 -183446.3051 -149062.6496 299.1302 -213.6405 -183.3295 557488.1081 -5.2760 -5.2162 PRESSURE: 3698400 -347.76 70.9541 -185.824 70.9533 -70.3144 74.1898 -185.823 74.1901 -66.105 GPRESSURE: 3698400 -295.409 4.78046 -155.905 55.5104 -87.9986 78.0906 -171.114 72.0865 -2.67763 PRESSAVG: 3698400 -18.5508 -24.2789 27.8733 -24.2789 -11.4375 -21.3965 27.8733 -21.3965 1.58772 GPRESSAVG: 3698400 -17.8228 -24.9424 25.0123 -22.7559 -11.9069 -21.12 30.3292 -20.7215 1.40493 TIMING: 3698400 CPU: 11077.6, 0.00305153/step Wall: 11077.6, 0.00305153/step, 1.1033 hours remaining, 206.136719 MB of memory in use. ENERGY: 3698400 783.2654 2124.1842 1923.1810 110.5443 -206193.6067 17704.5060 0.0000 0.0000 34330.4846 -149217.4412 299.8167 -183547.9257 -149116.4081 300.4216 -161.3930 -128.6950 557552.3639 -9.4668 -9.4416 PRESSURE: 3698600 -185.667 111.422 54.3083 111.422 -244.251 22.5325 54.3104 22.5352 -84.0079 GPRESSURE: 3698600 -157.925 102.25 73.4709 157.515 -228.491 -19.1104 99.126 51.2656 -41.5963 PRESSAVG: 3698600 -10.1646 2.93225 -6.81609 2.93226 15.184 3.80381 -6.81605 3.80379 -4.15663 GPRESSAVG: 3698600 -10.2081 3.00807 -5.20218 1.85094 15.5376 6.93762 -8.93491 2.94924 -4.51323 TIMING: 3698600 CPU: 11078.2, 0.00300974/step Wall: 11078.2, 0.00300974/step, 1.08802 hours remaining, 206.136719 MB of memory in use. ENERGY: 3698600 740.9461 2141.9398 1935.3874 108.6186 -206142.8895 17591.8325 0.0000 0.0000 34280.5895 -149343.5755 299.3809 -183624.1650 -149240.8808 299.4196 -171.3084 -142.6705 557334.2410 0.2876 0.2721 PRESSURE: 3698800 -63.0545 -155.284 -31.262 -155.284 -5.2481 54.8211 -31.262 54.8221 -116.513 GPRESSURE: 3698800 31.8692 -194.943 -77.0581 -144.447 8.69616 -17.6414 -29.9826 86.458 -129.875 PRESSAVG: 3698800 19.634 -6.64275 6.4743 -6.64272 24.6681 1.52356 6.47429 1.52371 -30.9755 GPRESSAVG: 3698800 19.9954 -8.34267 6.46289 -7.43009 25.1004 -0.718628 7.4623 2.77032 -30.7744 TIMING: 3698800 CPU: 11078.8, 0.0030033/step Wall: 11078.8, 0.0030033/step, 1.08553 hours remaining, 206.136719 MB of memory in use. ENERGY: 3698800 748.0109 2085.4964 1937.2716 118.2245 -206388.8919 17752.6021 0.0000 0.0000 34301.5020 -149445.7846 299.5635 -183747.2866 -149352.0330 299.7054 -61.6052 -29.7699 556890.3297 4.4422 4.7738 PRESSURE: 3699000 130.116 -133.151 74.485 -133.153 12.0111 -136.029 74.4847 -136.028 -62.0531 GPRESSURE: 3699000 180.992 -186.996 -17.6562 -189.493 24.8089 -78.3561 114.892 -102.65 -37.058 PRESSAVG: 3699000 33.2067 -50.5548 -32.3031 -50.5547 -5.21659 22.8 -32.303 22.8 10.6499 GPRESSAVG: 3699000 32.98 -49.229 -34.6458 -51.1099 -4.68601 23.9352 -31.8191 22.549 10.5078 TIMING: 3699000 CPU: 11079.4, 0.0030042/step Wall: 11079.4, 0.0030042/step, 1.08568 hours remaining, 206.136719 MB of memory in use. ENERGY: 3699000 771.9990 2126.4117 1936.2018 103.4729 -206312.5609 17800.6981 0.0000 0.0000 34185.5640 -149388.2135 298.5510 -183573.7775 -149291.3156 298.9465 26.6913 56.2476 556155.0872 12.8800 12.9339 PRESSURE: 3699200 -60.8769 26.9025 -79.8042 26.9013 77.7986 -129.119 -79.8045 -129.12 -246.062 GPRESSURE: 3699200 -23.1527 -0.581525 -66.0812 59.6997 102.74 -183.309 -59.3843 -86.2959 -211.713 PRESSAVG: 3699200 -22.1807 -42.2042 -27.6021 -42.2042 20.2048 4.13508 -27.602 4.13505 -27.9198 GPRESSAVG: 3699200 -22.2207 -40.1057 -24.7226 -40.5019 20.0488 3.57687 -28.5144 4.3674 -27.2144 TIMING: 3699200 CPU: 11080.1, 0.00305139/step Wall: 11080.1, 0.00305139/step, 1.10257 hours remaining, 206.136719 MB of memory in use. ENERGY: 3699200 766.9771 2114.4112 1936.0852 108.2925 -206742.8375 17988.3044 0.0000 0.0000 34508.9778 -149319.7892 301.3755 -183828.7670 -149222.3752 300.0092 -76.3800 -44.0421 557914.3644 -9.9652 -9.7954 PRESSURE: 3699400 132.17 -0.830516 -79.8627 -0.830797 -41.9087 -7.32716 -79.862 -7.32593 -57.6301 GPRESSURE: 3699400 152.697 12.7945 -111.095 -114.99 -28.2997 41.91 -49.6881 -10.702 16.2101 PRESSAVG: 3699400 40.8843 -36.5839 6.37625 -36.5839 26.5108 24.637 6.37632 24.6371 -33.5211 GPRESSAVG: 3699400 41.1715 -36.8509 4.74595 -36.5409 26.5727 25.937 5.79079 23.1129 -33.786 TIMING: 3699400 CPU: 11080.7, 0.00303088/step Wall: 11080.7, 0.00303088/step, 1.09499 hours remaining, 206.136719 MB of memory in use. ENERGY: 3699400 738.9782 2076.5186 1939.6988 103.1832 -206285.2854 17983.4935 0.0000 0.0000 34115.0072 -149328.4060 297.9348 -183443.4132 -149234.3720 299.2908 10.8770 46.8691 558467.5016 11.2913 11.3194 PRESSURE: 3699600 -140.618 71.5403 -0.0745162 71.541 -247.277 78.0341 -0.0735604 78.0354 -178.4 GPRESSURE: 3699600 -84.3559 66.5145 39.1684 164.31 -234.518 82.9552 61.5197 102.162 -146.537 PRESSAVG: 3699600 28.7145 -51.9636 -4.01633 -51.9635 -25.3317 -20.1187 -4.0162 -20.1187 -7.63376 GPRESSAVG: 3699600 29.5352 -53.0599 -2.70654 -51.7815 -25.1674 -20.0058 -2.54568 -18.7165 -8.81874 TIMING: 3699600 CPU: 11081.3, 0.00301715/step Wall: 11081.3, 0.00301715/step, 1.08986 hours remaining, 206.136719 MB of memory in use. ENERGY: 3699600 721.0369 2150.9452 1947.7483 105.6552 -206266.2033 17776.2612 0.0000 0.0000 34324.1018 -149240.4547 299.7609 -183564.5565 -149141.5088 299.0249 -188.7647 -155.1369 559571.8105 -1.4170 -1.4837 PRESSURE: 3699800 -42.1374 -62.9692 -105.891 -62.9681 -84.9301 67.8278 -105.891 67.8294 -273.512 GPRESSURE: 3699800 21.1182 -32.3919 -63.8705 -80.7693 -17.3138 88.2708 -132.929 149.059 -297.875 PRESSAVG: 3699800 21.9362 -51.5882 27.8761 -51.588 12.3259 -23.952 27.8761 -23.952 -13.6613 GPRESSAVG: 3699800 21.3388 -49.9176 26.9004 -52.2775 11.7284 -23.7594 26.1447 -25.6232 -12.8621 TIMING: 3699800 CPU: 11081.9, 0.0030719/step Wall: 11081.9, 0.0030719/step, 1.10947 hours remaining, 206.136719 MB of memory in use. ENERGY: 3699800 726.2552 2097.6805 1940.2924 112.6651 -206001.6392 17584.2184 0.0000 0.0000 34056.0828 -149484.4448 297.4202 -183540.5276 -149390.6912 298.8734 -133.5265 -98.0236 558139.4824 6.8670 6.7351 PRESSURE: 3700000 4.44165 180.636 -63.9664 180.637 -186.713 77.4606 -63.9668 77.4602 -43.9258 GPRESSURE: 3700000 59.5737 166.585 -77.9171 151.506 -174.537 40.0916 -33.5425 12.2206 -12.2366 PRESSAVG: 3700000 34.8687 26.7741 -1.6533 26.774 -0.845398 17.3638 -1.65321 17.3638 -28.0661 GPRESSAVG: 3700000 33.7014 25.1661 0.109952 28.1938 -0.0790463 15.082 -1.18931 19.1256 -28.4102 TIMING: 3700000 CPU: 11082.5, 0.00308273/step Wall: 11082.5, 0.00308273/step, 1.11321 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: 3700000 755.5238 2143.3904 1969.1817 96.5568 -206687.9710 17938.7187 0.0000 0.0000 34419.0741 -149365.5255 300.5903 -183784.5996 -149272.1458 299.2401 -75.3991 -42.3999 557363.0962 1.9857 1.7374 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3700000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3700000 WRITING COORDINATES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3700200 -123.218 99.8665 213.161 99.8671 -31.0582 63.3878 213.161 63.3885 99.4504 GPRESSURE: 3700200 -30.9974 62.794 299.939 74.1275 -26.4747 73.9604 153.174 18.4517 111.332 PRESSAVG: 3700200 -10.5426 27.5203 29.8752 27.5204 11.6239 -37.3367 29.8752 -37.3366 1.69138 GPRESSAVG: 3700200 -9.92208 27.4291 28.5495 27.6307 10.284 -37.5953 29.434 -37.5105 2.47566 TIMING: 3700200 CPU: 11083.1, 0.00314451/step Wall: 11083.1, 0.00314451/step, 1.13534 hours remaining, 206.136719 MB of memory in use. ENERGY: 3700200 769.3084 2093.9397 1932.9386 123.1135 -205934.1564 17600.1928 0.0000 0.0000 34100.7258 -149313.9376 297.8101 -183414.6634 -149223.6658 298.8759 -18.2752 17.9533 557004.7525 0.9242 0.9458 LDB: ============= START OF LOAD BALANCING ============== 11086.6 LDB: ============== END OF LOAD BALANCING =============== 11086.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11086.6 LDB: ============= START OF LOAD BALANCING ============== 11086.9 LDB: Largest compute 4820 load 0.023938 is 20.3% of average load 0.118119 LDB: Average compute 0.001723 is 1.5% of average load 0.118119 LDB: TIME 11086.9 LOAD: AVG 0.118119 MAX 0.219939 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.922 MB LDB: TIME 11086.9 LOAD: AVG 0.118119 MAX 0.219939 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: TIME 11086.9 LOAD: AVG 0.118119 MAX 0.219939 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.922 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11086.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11086.9 PRESSURE: 3700400 -135.836 -128.999 -4.03944 -128.998 216.8 -18.8308 -4.04032 -18.8289 0.417031 GPRESSURE: 3700400 -105.88 -91.4931 -55.2653 -157.714 285.979 -25.2706 62.0882 -11.611 13.0988 PRESSAVG: 3700400 -5.89109 -13.8296 72.0249 -13.8296 -20.7004 -52.0724 72.0248 -52.0723 -11.2886 GPRESSAVG: 3700400 -7.25545 -12.9876 71.1154 -15.3167 -19.0781 -49.9119 71.9675 -51.9076 -10.4738 TIMING: 3700400 CPU: 11083.7, 0.00311849/step Wall: 11083.7, 0.00311849/step, 1.12577 hours remaining, 206.203125 MB of memory in use. ENERGY: 3700400 737.9429 2103.4664 1946.0032 113.6549 -206057.9675 17685.4335 0.0000 0.0000 34144.6070 -149326.8595 298.1933 -183471.4665 -149232.7914 299.1371 27.1270 64.3992 555404.9241 -12.6267 -12.2691 PRESSURE: 3700600 -156.637 -38.509 6.28563 -38.5084 -29.722 200.509 6.28655 200.507 -324.698 GPRESSURE: 3700600 -129.601 -1.13891 45.6102 -17.9334 26.6934 160.814 -4.06259 189.447 -300.224 PRESSAVG: 3700600 7.86621 26.4457 21.2601 26.4456 -15.0318 57.502 21.2601 57.502 19.6306 GPRESSAVG: 3700600 9.15454 26.3006 23.5054 27.5642 -15.461 57.003 21.7406 57.5035 18.8609 TIMING: 3700600 CPU: 11084.4, 0.00305675/step Wall: 11084.4, 0.00305675/step, 1.10332 hours remaining, 206.203125 MB of memory in use. ENERGY: 3700600 755.0842 2095.3382 1926.5582 119.3059 -206102.7232 17557.8542 0.0000 0.0000 34364.2607 -149284.3219 300.1116 -183648.5826 -149188.6423 299.5379 -170.3524 -134.3770 556084.5377 4.1550 4.1848 PRESSURE: 3700800 29.9614 -14.9127 116.237 -14.912 254.764 80.0101 116.238 80.0103 72.4952 GPRESSURE: 3700800 73.1121 -16.3236 75.1731 -54.9135 284.139 -4.76705 49.8056 75.9711 79.9149 PRESSAVG: 3700800 -41.7436 26.1143 -12.862 26.1142 72.0929 1.72185 -12.862 1.7219 2.35706 GPRESSAVG: 3700800 -42.2771 25.0351 -12.5947 24.9968 72.2013 0.719241 -14.6947 0.458419 2.48972 TIMING: 3700800 CPU: 11085, 0.00307603/step Wall: 11085, 0.00307603/step, 1.11011 hours remaining, 206.203125 MB of memory in use. ENERGY: 3700800 726.7477 2177.5629 1948.6370 124.9889 -206123.8099 17759.8962 0.0000 0.0000 34325.1184 -149060.8588 299.7698 -183385.9772 -148962.6865 299.9993 119.0734 145.7221 556961.1742 10.9021 10.8046 PRESSURE: 3701000 -269.995 -91.8406 -331.086 -91.8409 -118.131 42.4083 -331.087 42.4081 -269.739 GPRESSURE: 3701000 -202.868 -128.698 -285.408 -74.4556 -118.467 69.5959 -327.619 -11.0705 -237.658 PRESSAVG: 3701000 -21.9032 4.21126 -38.9297 4.21131 32.5854 -53.3703 -38.9297 -53.3703 0.122194 GPRESSAVG: 3701000 -21.9207 4.73962 -39.9524 3.84744 32.0571 -52.1743 -38.2433 -54.1135 0.266189 TIMING: 3701000 CPU: 11085.6, 0.00306197/step Wall: 11085.6, 0.00306197/step, 1.10486 hours remaining, 206.203125 MB of memory in use. ENERGY: 3701000 725.2727 2083.0984 1988.8944 105.4909 -205435.1725 17307.0855 0.0000 0.0000 34080.2182 -149145.1124 297.6310 -183225.3306 -149055.6834 299.3157 -219.2882 -186.3311 558037.8449 3.6014 3.4675 PRESSURE: 3701200 -24.9369 99.845 -61.5538 99.8447 93.4896 -5.27276 -61.5547 -5.27317 -397.66 GPRESSURE: 3701200 11.1939 148.856 -45.892 34.528 47.4725 34.132 -51.2833 -77.0062 -292.033 PRESSAVG: 3701200 -52.2832 -32.9967 -24.1479 -32.9968 15.0203 -22.3917 -24.1479 -22.3918 41.6741 GPRESSAVG: 3701200 -51.2327 -33.5239 -23.5661 -32.8772 13.7918 -21.7407 -23.78 -21.9045 41.6729 TIMING: 3701200 CPU: 11086.2, 0.00305822/step Wall: 11086.2, 0.00305822/step, 1.10334 hours remaining, 206.203125 MB of memory in use. ENERGY: 3701200 789.0176 2101.2198 1955.0786 109.0490 -206037.9641 17703.1556 0.0000 0.0000 34168.7520 -149211.6915 298.4042 -183380.4435 -149116.5785 298.8837 -109.7024 -77.7890 557237.1868 1.4704 1.4107 PRESSURE: 3701400 41.6993 94.2015 -75.3027 94.2019 -143.102 15.4937 -75.3035 15.4925 -168.706 GPRESSURE: 3701400 64.8828 117.908 -89.9127 70.8832 -138.681 52.0133 -45.6578 28.4045 -102.893 PRESSAVG: 3701400 8.46756 -37.4715 9.43207 -37.4716 -23.7741 9.36424 9.43206 9.3642 11.8755 GPRESSAVG: 3701400 8.18069 -36.995 9.81728 -36.7025 -23.6482 7.95349 8.77051 11.3586 11.3965 TIMING: 3701400 CPU: 11086.8, 0.00304619/step Wall: 11086.8, 0.00304619/step, 1.09883 hours remaining, 206.203125 MB of memory in use. ENERGY: 3701400 748.7473 2068.5699 1935.0984 107.1052 -206128.7417 17753.8325 0.0000 0.0000 34251.0956 -149264.2927 299.1233 -183515.3883 -149173.4358 298.7729 -90.0362 -58.8972 557724.7332 -1.1437 -1.3570 PRESSURE: 3701600 -102.094 -15.5372 -29.6211 -15.5358 -28.9128 -27.6651 -29.6216 -27.6657 -42.155 GPRESSURE: 3701600 -90.2781 27.2069 -14.4418 3.42659 -27.6447 -118.45 -47.4301 33.7176 39.8464 PRESSAVG: 3701600 -22.8669 -6.5478 -22.8135 -6.5479 50.348 -6.53037 -22.8134 -6.53033 -9.90898 GPRESSAVG: 3701600 -23.6489 -6.4342 -23.2926 -7.47413 50.215 -6.57888 -20.4888 -7.66213 -9.58913 TIMING: 3701600 CPU: 11087.4, 0.00303868/step Wall: 11087.4, 0.00303868/step, 1.09595 hours remaining, 206.203125 MB of memory in use. ENERGY: 3701600 758.9402 2091.3000 1942.0572 120.7617 -205962.6008 17654.3303 0.0000 0.0000 34147.3936 -149247.8178 298.2177 -183395.2115 -149156.2605 299.2332 -57.7205 -26.0255 558677.3125 5.8574 5.6590 PRESSURE: 3701800 -101.861 -41.2918 189.799 -41.2919 204.975 -145.064 189.799 -145.064 39.7374 GPRESSURE: 3701800 -40.7213 -108.157 104.316 23.9768 191.459 -27.3645 238.367 -184.05 91.1351 PRESSAVG: 3701800 -0.958344 -23.4192 12.0065 -23.4192 26.9728 -5.41459 12.0066 -5.41468 -65.0672 GPRESSAVG: 3701800 -0.972921 -20.8164 10.3431 -24.9221 27.7563 -5.4036 11.1756 -4.62082 -66.2167 TIMING: 3701800 CPU: 11088, 0.00301888/step Wall: 11088, 0.00301888/step, 1.08864 hours remaining, 206.203125 MB of memory in use. ENERGY: 3701800 753.5907 2077.9196 1944.8565 104.5831 -206176.3589 17988.6621 0.0000 0.0000 34304.8450 -149001.9018 299.5927 -183306.7468 -148905.2123 299.4360 47.6173 80.6241 558940.0309 -13.0176 -13.1444 PRESSURE: 3702000 215.696 -63.8584 -153.417 -63.8585 338.882 -93.804 -153.417 -93.8034 -5.58719 GPRESSURE: 3702000 260.56 -0.877644 -41.9358 -99.6412 384.462 -44.89 -103.814 -100.201 18.9349 PRESSAVG: 3702000 -10.3699 -18.7187 14.9152 -18.7186 -30.2659 36.7195 14.9152 36.7195 48.2346 GPRESSAVG: 3702000 -10.7122 -20.513 17.0482 -17.0545 -31.489 37.5319 15.6838 35.4633 49.7427 TIMING: 3702000 CPU: 11088.6, 0.00301916/step Wall: 11088.6, 0.00301916/step, 1.08858 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: 3702000 773.2346 2104.9586 1910.4896 97.3803 -206728.0379 18298.1393 0.0000 0.0000 34484.0139 -149059.8215 301.1575 -183543.8354 -148956.7434 299.3853 182.9971 221.3191 556909.7007 2.5329 2.5138 PRESSURE: 3702200 -32.9331 50.5442 53.4827 50.5454 90.2681 232.043 53.4826 232.042 148.55 GPRESSURE: 3702200 21.0125 73.3691 86.0155 -4.14902 125.157 252.376 81.6269 173.538 177.577 PRESSAVG: 3702200 37.0053 -22.523 32.8136 -22.523 -3.58288 -15.7953 32.8136 -15.7954 -17.5852 GPRESSAVG: 3702200 36.3281 -21.8205 31.9844 -20.9086 -3.78347 -15.5446 31.8726 -16.9318 -17.3024 TIMING: 3702200 CPU: 11089.2, 0.00303447/step Wall: 11089.2, 0.00303447/step, 1.09393 hours remaining, 206.203125 MB of memory in use. ENERGY: 3702200 752.3660 2084.7047 1934.4308 118.3897 -206085.0531 17689.4183 0.0000 0.0000 34520.0793 -148985.6642 301.4724 -183505.7436 -148892.2663 300.7713 68.6283 107.9153 557158.1151 5.2791 5.0807 PRESSURE: 3702400 53.6387 1.06782 84.7068 1.06849 -39.6209 105.132 84.7078 105.134 -111.41 GPRESSURE: 3702400 111.643 -13.7001 78.1306 53.1407 -30.9523 108.728 69.9461 81.5272 -89.3753 PRESSAVG: 3702400 5.73555 -42.2893 27.2091 -42.2893 14.4874 34.2249 27.2091 34.2249 18.2305 GPRESSAVG: 3702400 6.91469 -44.3925 26.2471 -43.1819 14.5145 33.7486 27.5959 36.2274 16.9493 TIMING: 3702400 CPU: 11089.8, 0.00303202/step Wall: 11089.8, 0.00303202/step, 1.09287 hours remaining, 206.203125 MB of memory in use. ENERGY: 3702400 774.7419 2028.7602 1949.2341 114.8636 -205997.9407 17733.8366 0.0000 0.0000 34458.4007 -148938.1036 300.9338 -183396.5043 -148836.8809 300.7566 -32.4642 -2.8950 555929.5291 12.8178 12.7928 PRESSURE: 3702600 -118.658 22.6918 160.958 22.6928 -95.5799 63.7043 160.956 63.7058 -169.161 GPRESSURE: 3702600 -120.251 -60.66 195.757 82.0232 -43.0834 62.5405 149.991 18.1123 -118.847 PRESSAVG: 3702600 -25.6705 -36.2375 -0.00290653 -36.2374 20.5448 -6.4514 -0.00297225 -6.45127 19.9682 GPRESSAVG: 3702600 -26.7318 -34.1731 1.86239 -36.2464 20.9298 -7.07695 -0.562693 -6.79821 20.3347 TIMING: 3702600 CPU: 11090.4, 0.00304327/step Wall: 11090.4, 0.00304327/step, 1.09676 hours remaining, 206.203125 MB of memory in use. ENERGY: 3702600 740.9252 2069.5801 1933.7349 121.6304 -205890.9774 17482.0059 0.0000 0.0000 34468.9760 -149074.1249 301.0261 -183543.1009 -148975.8692 300.1725 -127.7996 -94.0605 556382.2634 4.9475 4.8442 PRESSURE: 3702800 -21.6826 -158.539 -39.8274 -158.539 -158.679 63.0757 -39.8268 63.0762 -261.279 GPRESSURE: 3702800 -18.9544 -289.925 -78.2025 -87.1666 -109.701 67.7184 -34.7129 80.1113 -217.061 PRESSAVG: 3702800 24.4829 3.18865 -0.496232 3.18869 -22.8753 17.8176 -0.49624 17.8175 -95.9411 GPRESSAVG: 3702800 23.1662 0.684296 -1.3232 4.05981 -22.9484 17.3671 0.912303 17.2475 -94.9937 TIMING: 3702800 CPU: 11091.1, 0.00306225/step Wall: 11091.1, 0.00306225/step, 1.10343 hours remaining, 206.203125 MB of memory in use. ENERGY: 3702800 731.4698 2089.6591 1913.1317 111.0680 -206012.7692 17659.9416 0.0000 0.0000 34442.7923 -149064.7067 300.7975 -183507.4990 -148972.1117 299.7245 -147.2133 -115.2389 557221.3801 -31.4445 -31.5920 PRESSURE: 3703000 -394.913 24.9401 7.64437 24.9388 -99.6751 29.1734 7.64534 29.1733 -34.2631 GPRESSURE: 3703000 -353.828 51.0582 -76.4615 25.5338 -88.1145 20.3213 -10.7448 112.102 11.5642 PRESSAVG: 3703000 -40.8792 -56.8734 -5.27383 -56.8734 18.0978 30.5431 -5.2739 30.5431 16.467 GPRESSAVG: 3703000 -41.0204 -55.9002 -5.09227 -56.1023 18.2822 31.3225 -7.80928 31.5953 16.549 TIMING: 3703000 CPU: 11091.7, 0.00304789/step Wall: 11091.7, 0.00304789/step, 1.09809 hours remaining, 206.203125 MB of memory in use. ENERGY: 3703000 731.0794 2069.6503 1950.5339 111.6011 -205664.2685 17431.6361 0.0000 0.0000 34183.2732 -149186.4945 298.5310 -183369.7677 -149088.7221 299.1680 -176.2837 -143.4593 559356.0129 -2.1048 -2.0631 PRESSURE: 3703200 -44.3616 62.651 153.238 62.6501 -229.374 -149.902 153.236 -149.903 163.816 GPRESSURE: 3703200 -0.666597 89.7846 131.804 93.6088 -172.206 -210.793 159.94 -99.1292 164.237 PRESSAVG: 3703200 14.7728 -32.7028 77.3247 -32.7028 -26.9675 -30.2045 77.3246 -30.2045 32.366 GPRESSAVG: 3703200 15.5357 -31.1676 75.2543 -34.9285 -28.2326 -32.7412 79.5962 -29.5205 32.6482 TIMING: 3703200 CPU: 11092.3, 0.00302625/step Wall: 11092.3, 0.00302625/step, 1.09012 hours remaining, 206.203125 MB of memory in use. ENERGY: 3703200 750.1374 2084.3080 1929.0079 105.8302 -206178.3510 17757.6609 0.0000 0.0000 34175.7930 -149375.6138 298.4657 -183551.4068 -149278.5530 298.4359 -36.6400 -2.8785 557226.7385 6.7238 6.6504 PRESSURE: 3703400 -109.349 -13.9406 -23.6102 -13.9416 26.1453 -3.40039 -23.6089 -3.40133 313.49 GPRESSURE: 3703400 -51.0174 26.7629 -25.1706 10.8237 24.4585 47.1254 -47.7402 -32.2026 347.997 PRESSAVG: 3703400 4.57123 -91.1422 -37.7262 -91.1422 -52.4708 -11.0677 -37.7262 -11.0679 39.2662 GPRESSAVG: 3703400 5.38638 -92.3494 -37.1591 -89.9986 -51.1178 -10.7603 -39.0049 -13.5364 37.4311 TIMING: 3703400 CPU: 11092.9, 0.00305037/step Wall: 11092.9, 0.00305037/step, 1.09864 hours remaining, 206.203125 MB of memory in use. ENERGY: 3703400 745.0450 2052.9485 1931.5608 103.8262 -206205.5058 17893.9408 0.0000 0.0000 33986.8547 -149491.3298 296.8157 -183478.1845 -149392.7409 298.7123 76.7620 107.1461 557257.6210 -2.8778 -2.7668 PRESSURE: 3703600 -232.124 -29.7336 107.868 -29.7329 167.323 3.34379 107.868 3.34544 221.656 GPRESSURE: 3703600 -153.39 -43.1252 84.6633 34.1682 221.246 -59.92 132.951 27.8089 181.733 PRESSAVG: 3703600 19.4093 -46.4903 18.3128 -46.4904 -2.38069 23.0607 18.3128 23.0606 8.16597 GPRESSAVG: 3703600 19.8674 -46.6414 19.0354 -45.472 -2.73223 23.3886 18.3965 25.422 8.03343 TIMING: 3703600 CPU: 11093.5, 0.00305379/step Wall: 11093.5, 0.00305379/step, 1.0997 hours remaining, 206.203125 MB of memory in use. ENERGY: 3703600 710.2798 2095.3772 1926.5926 116.9941 -206548.1497 18122.0453 0.0000 0.0000 34090.2147 -149486.6462 297.7183 -183576.8608 -149397.0431 298.1661 52.2852 83.1962 558974.4225 8.3982 8.3895 PRESSURE: 3703800 -132.315 -8.37463 -2.51384 -8.37368 -163.204 -43.9572 -2.51258 -43.9597 -46.9093 GPRESSURE: 3703800 -108.689 14.437 -30.5568 -15.2049 -150.232 -34.3673 -26.3616 -11.802 1.03887 PRESSAVG: 3703800 3.37227 -20.8546 -4.83582 -20.8546 -30.952 -19.4834 -4.83567 -19.4833 21.6352 GPRESSAVG: 3703800 3.70316 -18.5543 -4.87996 -23.6918 -31.6083 -19.3368 -5.28762 -19.5594 21.5059 TIMING: 3703800 CPU: 11094.1, 0.00302734/step Wall: 11094.1, 0.00302734/step, 1.09001 hours remaining, 206.203125 MB of memory in use. ENERGY: 3703800 706.9305 2022.0901 1942.8819 116.2987 -206038.4517 17682.7449 0.0000 0.0000 34061.3846 -149506.1211 297.4665 -183567.5057 -149413.2298 297.8086 -114.1426 -85.9607 557576.0812 -1.9815 -2.1331 PRESSURE: 3704000 154.136 -62.5028 71.1764 -62.5022 75.539 -66.7693 71.1768 -66.7683 85.9846 GPRESSURE: 3704000 236.071 -17.6888 40.1138 -126.363 83.0859 -71.0785 80.8957 -146.786 91.2845 PRESSAVG: 3704000 4.22095 12.3779 29.6702 12.3779 -14.0172 -55.868 29.6701 -55.868 14.8323 GPRESSAVG: 3704000 2.51348 11.925 29.273 13.8977 -14.2539 -53.7969 31.0639 -58.3528 15.9174 TIMING: 3704000 CPU: 11094.7, 0.00302293/step Wall: 11094.7, 0.00302293/step, 1.08826 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: 3704000 748.0120 2084.6979 1943.5601 126.4871 -206731.5615 18208.6778 0.0000 0.0000 34180.7659 -149439.3607 298.5091 -183620.1266 -149346.2422 298.8443 105.2200 136.8139 557503.5130 1.6787 1.3923 PRESSURE: 3704200 -74.6398 -52.9441 -83.0515 -52.945 -15.3218 31.313 -83.0519 31.3139 15.755 GPRESSURE: 3704200 -32.8163 -34.0156 -72.1225 -24.5209 33.4463 -43.9112 -72.8962 43.0268 25.7521 PRESSAVG: 3704200 30.6449 -49.9228 19.9771 -49.9229 -53.7199 -53.8663 19.9771 -53.8664 24.5624 GPRESSAVG: 3704200 31.0346 -53.0683 22.329 -49.2095 -53.4921 -56.2852 18.6392 -51.5822 23.729 TIMING: 3704200 CPU: 11095.3, 0.00302864/step Wall: 11095.3, 0.00302864/step, 1.09014 hours remaining, 206.203125 MB of memory in use. ENERGY: 3704200 752.4997 2039.3189 1929.4737 112.6585 -206315.7561 17795.1967 0.0000 0.0000 34135.6664 -149550.9423 298.1153 -183686.6086 -149456.1787 298.9190 -24.7355 8.7940 557284.2504 0.4958 0.4238 LDB: ============= START OF LOAD BALANCING ============== 11098.7 LDB: ============== END OF LOAD BALANCING =============== 11098.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11098.7 LDB: ============= START OF LOAD BALANCING ============== 11099 LDB: Largest compute 4820 load 0.024615 is 20.8% of average load 0.118092 LDB: Average compute 0.001719 is 1.5% of average load 0.118092 LDB: TIME 11099 LOAD: AVG 0.118092 MAX 0.216917 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 11099 LOAD: AVG 0.118092 MAX 0.216917 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 11099 LOAD: AVG 0.118092 MAX 0.216917 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11099.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11099.1 PRESSURE: 3704400 -172.872 -90.9036 -57.2374 -90.9037 -72.7606 -37.0581 -57.2372 -37.0568 8.8833 GPRESSURE: 3704400 -119.231 -33.8593 -119.109 -166.574 -29.0047 11.5292 -7.9735 55.578 4.38036 PRESSAVG: 3704400 23.2688 35.6664 -17.8306 35.6665 19.347 8.62735 -17.8306 8.62722 -27.7346 GPRESSAVG: 3704400 23.6537 36.6882 -18.0516 36.2678 19.7085 8.75801 -18.3073 8.18813 -28.3947 TIMING: 3704400 CPU: 11095.9, 0.0030746/step Wall: 11095.9, 0.0030746/step, 1.10652 hours remaining, 205.617188 MB of memory in use. ENERGY: 3704400 732.9284 2102.5374 1943.0772 105.2927 -206302.3842 17729.5479 0.0000 0.0000 34203.8348 -149485.1658 298.7106 -183689.0006 -149401.3933 298.3822 -78.9164 -47.9517 556805.5679 4.9604 4.9892 PRESSURE: 3704600 -136.522 59.5832 -23.0858 59.5842 186.269 -80.3228 -23.0867 -80.3232 -16.0477 GPRESSURE: 3704600 -131.472 130.945 21.6514 99.4506 244.915 -82.3927 40.2773 -54.367 2.54735 PRESSAVG: 3704600 -51.0828 -62.4111 28.1183 -62.4112 28.469 -8.9845 28.1183 -8.98458 35.1984 GPRESSAVG: 3704600 -50.9582 -60.7588 28.1519 -61.8167 27.794 -8.6191 27.453 -9.63819 35.4844 TIMING: 3704600 CPU: 11096.5, 0.00301746/step Wall: 11096.5, 0.00301746/step, 1.08578 hours remaining, 205.617188 MB of memory in use. ENERGY: 3704600 744.4814 2037.9394 1944.9877 115.7771 -206345.2903 17982.6376 0.0000 0.0000 33913.5994 -149605.8677 296.1759 -183519.4671 -149514.3724 297.6574 11.2333 38.6635 556154.2483 4.1949 4.1067 PRESSURE: 3704800 -27.1239 131.976 -135.227 131.975 87.914 141.725 -135.227 141.726 137.611 GPRESSURE: 3704800 50.0948 133.127 -87.0155 124.654 127.086 56.9087 -104.569 170.241 125.01 PRESSAVG: 3704800 -22.4494 -9.3251 29.1942 -9.32517 7.31715 -19.9233 29.1941 -19.9232 22.7222 GPRESSAVG: 3704800 -22.9137 -11.1009 27.5995 -10.6339 5.64176 -19.3993 30.315 -19.6239 24.5643 TIMING: 3704800 CPU: 11097.1, 0.00303163/step Wall: 11097.1, 0.00303163/step, 1.09071 hours remaining, 205.617188 MB of memory in use. ENERGY: 3704800 745.0951 2122.3379 1967.6972 101.1573 -206596.2831 17930.1203 0.0000 0.0000 34244.5402 -149485.3351 299.0661 -183729.8753 -149385.4068 298.0632 66.1336 100.7303 556928.3692 2.5300 2.4308 PRESSURE: 3705000 3.14655 82.6169 77.7569 82.6178 -310.205 182.129 77.7576 182.129 -216.073 GPRESSURE: 3705000 -38.3783 81.8201 17.757 95.6432 -197.117 123.818 79.9335 210.347 -183.527 PRESSAVG: 3705000 -38.2409 -32.9574 28.9882 -32.9574 7.6175 -53.7151 28.9882 -53.7151 51.8844 GPRESSAVG: 3705000 -38.8692 -30.6828 28.7794 -33.3483 11.0319 -55.3137 29.6978 -52.7174 48.7481 TIMING: 3705000 CPU: 11097.7, 0.00302638/step Wall: 11097.7, 0.00302638/step, 1.08865 hours remaining, 205.617188 MB of memory in use. ENERGY: 3705000 753.9808 2064.4983 1939.9936 110.0336 -206248.3022 17650.2604 0.0000 0.0000 34244.6298 -149484.9057 299.0669 -183729.5356 -149389.6526 298.4591 -174.3774 -139.6743 557341.1543 7.0870 6.9703 PRESSURE: 3705200 -106.98 -45.1229 62.151 -45.1235 2.92317 -50.3389 62.1512 -50.3388 -357.381 GPRESSURE: 3705200 -53.9812 -106.217 76.572 -11.9825 23.5386 -93.4726 51.7475 -116.901 -335.223 PRESSAVG: 3705200 21.1348 54.9144 -9.38789 54.9144 -0.867288 13.361 -9.38797 13.361 -33.6597 GPRESSAVG: 3705200 19.3354 52.5145 -8.53733 56.1225 -2.86509 14.5222 -9.67987 12.1931 -29.7445 TIMING: 3705200 CPU: 11098.4, 0.00308027/step Wall: 11098.4, 0.00308027/step, 1.10787 hours remaining, 205.617188 MB of memory in use. ENERGY: 3705200 755.2016 2036.8253 1933.9980 113.8672 -206055.1203 17596.5817 0.0000 0.0000 34096.3755 -149522.2710 297.7721 -183618.6465 -149420.9750 298.7881 -153.8126 -121.8885 558854.3285 -4.4641 -4.4247 PRESSURE: 3705400 -127.707 117.672 15.6498 117.673 -3.84703 19.6621 15.6504 19.6647 -85.9214 GPRESSURE: 3705400 -137.284 177.893 72.9346 53.7206 33.1964 5.84924 -16.6241 -24.1218 -6.69002 PRESSAVG: 3705400 43.7942 14.8096 11.439 14.8095 -45.7766 10.644 11.439 10.6439 0.773088 GPRESSAVG: 3705400 47.4631 17.3654 9.86113 13.193 -47.1764 9.1428 10.4376 13.0756 -0.897131 TIMING: 3705400 CPU: 11099, 0.00306329/step Wall: 11099, 0.00306329/step, 1.10159 hours remaining, 205.617188 MB of memory in use. ENERGY: 3705400 733.0878 2047.0343 1953.6321 113.7945 -206562.3827 17787.3251 0.0000 0.0000 34204.9270 -149722.5819 298.7201 -183927.5089 -149629.9208 298.1132 -72.4919 -36.9260 556851.4114 -0.4031 -0.2035 PRESSURE: 3705600 -27.6831 -39.3962 10.1389 -39.3977 -63.1798 178.383 10.1393 178.384 -7.51665 GPRESSURE: 3705600 20.38 -82.8878 -115.922 -86.691 -64.9939 261.16 60.3406 89.8807 24.8447 PRESSAVG: 3705600 2.03189 43.5201 24.7436 43.5201 -29.2107 4.61642 24.7436 4.61645 4.54166 GPRESSAVG: 3705600 0.739841 42.1851 26.1185 43.9308 -28.4205 7.37693 26.2437 2.39592 4.83024 TIMING: 3705600 CPU: 11099.6, 0.00308359/step Wall: 11099.6, 0.00308359/step, 1.10872 hours remaining, 205.617188 MB of memory in use. ENERGY: 3705600 712.2282 1993.3080 1935.5119 107.4350 -206561.9492 17857.7300 0.0000 0.0000 34327.7408 -149627.9954 299.7927 -183955.7362 -149532.0091 298.2624 -32.7932 -6.5897 557307.3167 -7.5457 -7.6168 PRESSURE: 3705800 32.9477 45.234 105.213 45.2352 -222.623 -81.273 105.212 -81.2725 -163.953 GPRESSURE: 3705800 45.2919 38.6366 147.469 150.632 -216.657 -18.0575 26.6342 -117.046 -78.9223 PRESSAVG: 3705800 -6.12532 45.7446 75.4891 45.7446 -42.7618 -11.32 75.4891 -11.32 17.6196 GPRESSAVG: 3705800 -6.34364 44.9021 75.6611 47.673 -43.0262 -8.85521 72.6219 -11.69 17.9098 TIMING: 3705800 CPU: 11100.2, 0.00309327/step Wall: 11100.2, 0.00309327/step, 1.11203 hours remaining, 205.617188 MB of memory in use. ENERGY: 3705800 752.8655 2009.7273 1945.8341 113.6365 -206348.7257 17577.7386 0.0000 0.0000 34385.8663 -149563.0575 300.3003 -183948.9238 -149464.5411 298.7695 -117.8761 -83.4291 557408.2722 -10.4225 -10.4867 PRESSURE: 3706000 -141.168 225.508 33.713 225.509 -165.419 26.5971 33.7116 26.5973 -166.304 GPRESSURE: 3706000 -152.845 211.799 58.3927 281.845 -156.001 2.39108 -13.8602 -18.8942 -84.075 PRESSAVG: 3706000 10.836 15.2428 -0.90398 15.2428 23.396 -13.121 -0.903878 -13.1212 -33.5581 GPRESSAVG: 3706000 9.70223 15.0279 -0.427821 13.2272 22.9409 -14.6241 -0.544811 -12.0404 -32.2784 TIMING: 3706000 CPU: 11100.8, 0.00307121/step Wall: 11100.8, 0.00307121/step, 1.10393 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: 3706000 746.1901 2049.6446 1932.7268 108.6499 -206036.9042 17545.4404 0.0000 0.0000 34068.2445 -149586.0081 297.5265 -183654.2526 -149493.9001 298.6499 -157.6300 -130.9736 556594.1556 0.2247 0.1216 PRESSURE: 3706200 -64.14 218.643 83.8656 218.644 241.037 89.4408 83.8662 89.4422 21.3393 GPRESSURE: 3706200 20.7821 217.432 87.0312 216.719 199.888 57.9379 40.5578 122.909 67.173 PRESSAVG: 3706200 38.726 -3.65287 21.4697 -3.65279 -9.92967 3.58927 21.4697 3.58921 0.909161 GPRESSAVG: 3706200 40.4103 -3.08458 21.1724 -3.11894 -9.20285 1.87997 21.2246 5.02312 -1.1906 TIMING: 3706200 CPU: 11101.4, 0.00305571/step Wall: 11101.4, 0.00305571/step, 1.09819 hours remaining, 205.617188 MB of memory in use. ENERGY: 3706200 729.6884 2070.6281 1927.3897 110.2428 -206246.4535 17672.3230 0.0000 0.0000 34169.1790 -149567.0025 298.4079 -183736.1815 -149472.2667 298.4148 66.0789 95.9476 554289.3157 9.9018 10.0056 PRESSURE: 3706400 -121.269 -114.097 14.9191 -114.099 -68.8228 -64.5902 14.9188 -64.5895 -86.4823 GPRESSURE: 3706400 -17.9642 -142.446 -4.05262 -132.481 -117.598 -33.4983 -0.956522 -21.9755 -47.4964 PRESSAVG: 3706400 93.9946 4.33004 20.4919 4.33002 -53.8323 -25.8392 20.4919 -25.8391 -24.9799 GPRESSAVG: 3706400 92.956 2.20098 20.3281 4.35588 -54.1665 -24.6582 19.0522 -29.1243 -23.138 TIMING: 3706400 CPU: 11102, 0.00300825/step Wall: 11102, 0.00300825/step, 1.08096 hours remaining, 205.617188 MB of memory in use. ENERGY: 3706400 720.2527 2119.8213 1937.2873 107.7504 -206100.2809 17510.6990 0.0000 0.0000 34270.7588 -149433.7114 299.2951 -183704.4703 -149339.1141 298.6584 -92.1915 -61.0195 554436.9580 5.0608 5.2172 PRESSURE: 3706600 -115.287 -29.6689 -71.0345 -29.6682 -18.2506 -16.8776 -71.0349 -16.8765 6.37711 GPRESSURE: 3706600 -95.2483 1.1925 -162.754 -23.9112 6.60267 -3.37464 7.98268 21.7007 62.1274 PRESSAVG: 3706600 60.8274 10.8503 74.0412 10.8503 -39.9488 -8.08353 74.0412 -8.08338 -36.5709 GPRESSAVG: 3706600 62.0781 12.7915 72.9363 10.8543 -40.5667 -9.44213 76.0099 -4.7042 -37.3804 TIMING: 3706600 CPU: 11102.6, 0.00301354/step Wall: 11102.6, 0.00301354/step, 1.0827 hours remaining, 205.617188 MB of memory in use. ENERGY: 3706600 731.7361 2124.3258 1950.3434 116.8627 -206076.4286 17638.0866 0.0000 0.0000 34097.2530 -149417.8210 297.7798 -183515.0740 -149324.1274 299.0923 -42.3869 -8.8394 555267.3464 -5.2308 -5.2897 PRESSURE: 3706800 -296.091 49.7187 182.283 49.717 -5.75912 -23.6353 182.283 -23.6347 -74.588 GPRESSURE: 3706800 -214.698 28.3192 168.204 32.8488 6.67395 -49.5763 247.96 -8.76355 -59.5785 PRESSAVG: 3706800 -13.4642 21.6557 9.89639 21.6557 12.1699 27.1367 9.8965 27.1366 22.754 GPRESSAVG: 3706800 -13.6086 24.1425 11.1346 20.4132 12.8759 28.1466 11.0168 24.8651 22.5595 TIMING: 3706800 CPU: 11103.2, 0.00299705/step Wall: 11103.2, 0.00299705/step, 1.07661 hours remaining, 205.617188 MB of memory in use. ENERGY: 3706800 764.9719 2161.6979 1919.3889 106.2458 -206432.9792 17711.6495 0.0000 0.0000 34334.7180 -149434.3073 299.8536 -183769.0252 -149337.0352 298.7129 -125.4792 -89.2008 556067.9452 7.1532 7.2756 PRESSURE: 3707000 -76.947 -93.4727 -56.3487 -93.4742 -391.788 -14.349 -56.3479 -14.3476 -309.816 GPRESSURE: 3707000 -56.2913 -106.635 -66.6779 31.8657 -319.401 -3.75113 -89.8815 74.0253 -311.33 PRESSAVG: 3707000 25.785 -0.958972 59.5279 -0.958952 8.47026 16.4758 59.5279 16.4759 -5.5021 GPRESSAVG: 3707000 25.6691 -3.99827 59.6727 -0.382546 8.66212 17.8563 58.4259 15.5559 -5.50625 TIMING: 3707000 CPU: 11103.8, 0.0030067/step Wall: 11103.8, 0.0030067/step, 1.07991 hours remaining, 205.617188 MB of memory in use. ENERGY: 3707000 786.6482 2191.2420 1929.6555 122.4388 -206204.2099 17611.6137 0.0000 0.0000 34175.6408 -149386.9708 298.4644 -183562.6116 -149296.9501 299.2906 -259.5171 -229.0076 557386.4812 9.5844 9.6083 PRESSURE: 3707200 -50.053 40.8649 87.5941 40.8653 164.481 7.95233 87.5944 7.95135 -101.995 GPRESSURE: 3707200 -42.878 -34.9185 122.575 68.24 200.264 55.2815 128.095 92.3301 -49.8761 PRESSAVG: 3707200 20.4829 -10.3925 -32.5842 -10.3924 30.7788 37.2821 -32.5842 37.282 -50.5793 GPRESSAVG: 3707200 20.6245 -9.54588 -33.4779 -9.59284 30.6655 36.9561 -32.1694 38.3953 -50.8262 TIMING: 3707200 CPU: 11104.4, 0.00300966/step Wall: 11104.4, 0.00300966/step, 1.0808 hours remaining, 205.617188 MB of memory in use. ENERGY: 3707200 742.5480 2181.4378 1921.5442 122.2531 -206351.2829 17674.7049 0.0000 0.0000 34225.6035 -149483.1916 298.9007 -183708.7951 -149384.8738 298.5886 4.1444 35.8367 554865.5864 0.2274 0.1546 PRESSURE: 3707400 -131.673 -59.1945 -72.6917 -59.194 185.158 32.1433 -72.6921 32.1424 -106.998 GPRESSURE: 3707400 -140.958 -66.2946 -63.0423 5.11194 232.421 80.069 -56.4132 -32.81 -42.6457 PRESSAVG: 3707400 -1.05947 16.4685 -25.0173 16.4686 10.7753 13.1036 -25.0173 13.1036 -46.8388 GPRESSAVG: 3707400 -0.604311 17.8938 -25.2548 13.8082 10.3521 12.4258 -25.2078 14.2844 -47.2161 TIMING: 3707400 CPU: 11105, 0.00306063/step Wall: 11105, 0.00306063/step, 1.09894 hours remaining, 205.617188 MB of memory in use. ENERGY: 3707400 765.4713 2107.7543 1941.8877 103.1084 -206524.7546 17884.2345 0.0000 0.0000 34245.8788 -149476.4196 299.0778 -183722.2984 -149376.7117 298.8618 -17.8375 16.2724 555505.8421 -12.3743 -12.4894 PRESSURE: 3707600 -42.6503 99.765 21.9946 99.7669 -131.924 93.8623 21.9938 93.8628 -241.811 GPRESSURE: 3707600 37.5808 60.4454 30.8692 141.904 -133.245 -11.3542 44.7445 119.16 -214.523 PRESSAVG: 3707600 7.89758 20.5597 -25.8242 20.5597 39.1107 -37.0559 -25.8242 -37.0558 -26.5718 GPRESSAVG: 3707600 6.1535 21.0602 -26.9254 21.3065 39.7707 -36.1963 -26.0354 -38.1182 -25.5432 TIMING: 3707600 CPU: 11105.7, 0.00302628/step Wall: 11105.7, 0.00302628/step, 1.08643 hours remaining, 205.617188 MB of memory in use. ENERGY: 3707600 725.4624 2078.2637 1931.1104 115.5219 -206235.2707 17684.8218 0.0000 0.0000 34065.2257 -149634.8648 297.5001 -183700.0905 -149526.8597 298.6124 -138.7952 -103.3957 557223.5014 6.8122 6.7937 PRESSURE: 3707800 162.904 -103.238 11.2994 -103.237 -43.9752 -112.46 11.299 -112.461 -5.86104 GPRESSURE: 3707800 156.622 -81.7949 -77.4746 -100.085 5.80494 -132.153 114.827 -56.342 48.9705 PRESSAVG: 3707800 9.61209 -39.7375 53.3884 -39.7374 -30.1019 16.1685 53.3882 16.1686 -6.13071 GPRESSAVG: 3707800 10.9584 -41.4068 53.1169 -38.8223 -31.1026 15.2269 52.5094 15.5855 -6.97429 TIMING: 3707800 CPU: 11106.3, 0.0030193/step Wall: 11106.3, 0.0030193/step, 1.08376 hours remaining, 205.617188 MB of memory in use. ENERGY: 3707800 749.2944 2106.5880 1930.8733 108.3793 -206949.5961 17964.0458 0.0000 0.0000 34369.0404 -149721.3749 300.1534 -184090.4154 -149622.0611 298.4557 37.6894 70.4659 554813.6991 -8.8735 -9.0395 PRESSURE: 3708000 176.15 19.9485 24.1337 19.9486 -272.533 -0.305222 24.1337 -0.304673 -124.394 GPRESSURE: 3708000 172.834 -28.9109 103.519 46.2239 -270.007 41.5027 -105.368 -64.3413 -17.7482 PRESSAVG: 3708000 49.9404 12.2834 2.87395 12.2835 52.0576 21.0668 2.87394 21.0668 -64.199 GPRESSAVG: 3708000 49.3902 11.9784 4.27705 10.7963 52.7489 19.29 2.57489 22.1666 -63.9282 TIMING: 3708000 CPU: 11106.9, 0.00301185/step Wall: 11106.9, 0.00301185/step, 1.08092 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: 3708000 742.1015 2141.5963 1947.9127 113.7004 -206432.9533 17648.8134 0.0000 0.0000 34247.2337 -149591.5952 299.0896 -183838.8289 -149504.1106 298.3878 -73.5924 -38.3070 556473.0790 12.5997 12.7370 PRESSURE: 3708200 -242.007 -59.6287 -87.2711 -59.6289 -112.853 30.0523 -87.2712 30.0512 -181.928 GPRESSURE: 3708200 -219.436 -39.4844 -60.5304 -133.006 -70.881 -69.5418 -96.9571 2.68183 -153.838 PRESSAVG: 3708200 -41.3021 -17.7355 -19.3005 -17.7355 46.5637 40.0847 -19.3005 40.0848 -6.55618 GPRESSAVG: 3708200 -41.2977 -17.586 -18.6769 -18.1154 46.3341 42.5009 -18.973 38.7743 -6.11497 TIMING: 3708200 CPU: 11107.5, 0.0030575/step Wall: 11107.5, 0.0030575/step, 1.09713 hours remaining, 205.617188 MB of memory in use. ENERGY: 3708200 734.5180 2084.2252 1951.5971 106.9472 -206045.8873 17498.9751 0.0000 0.0000 34171.4879 -149498.1368 298.4281 -183669.6247 -149402.1092 298.3185 -178.9291 -148.0516 558337.8888 -0.4315 -0.3595 LDB: ============= START OF LOAD BALANCING ============== 11110.9 LDB: ============== END OF LOAD BALANCING =============== 11110.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11110.9 LDB: ============= START OF LOAD BALANCING ============== 11111.2 LDB: Largest compute 4820 load 0.024538 is 20.8% of average load 0.118180 LDB: Average compute 0.001720 is 1.5% of average load 0.118180 LDB: TIME 11111.2 LOAD: AVG 0.11818 MAX 0.222869 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.664 MB LDB: TIME 11111.2 LOAD: AVG 0.11818 MAX 0.222869 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.867 MB LDB: TIME 11111.2 LOAD: AVG 0.11818 MAX 0.222869 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.867 MB LDB: ============== END OF LOAD BALANCING =============== 11111.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11111.2 PRESSURE: 3708400 111.338 -42.8163 -29.9354 -42.8156 2.88885 100.933 -29.9356 100.932 -6.43822 GPRESSURE: 3708400 129.711 60.3845 -60.3608 -139.336 -16.1132 135.131 6.49429 40.5409 97.5074 PRESSAVG: 3708400 51.0834 1.51082 -52.8241 1.51078 17.3329 28.1016 -52.8242 28.1016 -6.76933 GPRESSAVG: 3708400 51.4847 3.23765 -52.977 1.4474 16.482 27.7067 -51.838 28.4895 -7.16289 TIMING: 3708400 CPU: 11108.1, 0.00311496/step Wall: 11108.1, 0.00311496/step, 1.11758 hours remaining, 205.804688 MB of memory in use. ENERGY: 3708400 760.4513 2052.1065 1941.5577 117.1723 -206409.0346 17830.7003 0.0000 0.0000 34115.6970 -149591.3494 297.9409 -183707.0464 -149495.0884 298.6551 35.9295 70.3683 557334.7764 20.5490 20.2679 PRESSURE: 3708600 -130.515 50.2616 -88.3921 50.2626 92.6456 -112.663 -88.3934 -112.664 91.2865 GPRESSURE: 3708600 -99.4893 14.861 -183.29 40.6466 91.6831 -131.64 -94.5828 -124.977 153.544 PRESSAVG: 3708600 -18.6529 29.4231 -16.6482 29.4232 28.8625 14.0194 -16.6483 14.0195 20.901 GPRESSAVG: 3708600 -20.2411 28.4311 -15.836 31.6536 29.9271 13.2869 -16.1346 16.1727 21.1999 TIMING: 3708600 CPU: 11108.7, 0.00306021/step Wall: 11108.7, 0.00306021/step, 1.09776 hours remaining, 205.804688 MB of memory in use. ENERGY: 3708600 762.7023 2020.1606 1952.8807 113.8009 -206461.9930 17758.0229 0.0000 0.0000 34363.9168 -149490.5086 300.1086 -183854.4255 -149395.8779 298.6244 17.8058 48.5794 554980.7505 10.3702 10.2953 PRESSURE: 3708800 52.8215 -167.311 -95.6905 -167.31 -16.9126 6.54966 -95.6913 6.55018 -205.492 GPRESSURE: 3708800 79.9128 -231.338 -64.2113 -128.309 2.89756 -56.8987 -134.11 10.7565 -141.369 PRESSAVG: 3708800 51.6448 -21.2475 -11.4154 -21.2475 -19.7689 14.8597 -11.4155 14.8598 -4.4192 GPRESSAVG: 3708800 53.3057 -21.4203 -10.6709 -22.4056 -21.4385 15.128 -12.331 13.7636 -4.07737 TIMING: 3708800 CPU: 11109.3, 0.00309852/step Wall: 11109.3, 0.00309852/step, 1.11134 hours remaining, 205.804688 MB of memory in use. ENERGY: 3708800 736.4021 2127.4568 1953.4022 110.8249 -206263.0823 17692.7281 0.0000 0.0000 34166.2077 -149476.0605 298.3820 -183642.2682 -149381.5695 298.7492 -56.5277 -19.5196 556839.1177 9.1522 9.2633 PRESSURE: 3709000 -57.8313 -104.438 -140.841 -104.437 90.6178 -40.4487 -140.842 -40.4479 25.3927 GPRESSURE: 3709000 -10.3396 -134.619 -88.0174 -115.253 122.547 -47.7401 -193.867 -49.9438 35.6243 PRESSAVG: 3709000 28.5221 6.34128 19.7662 6.34139 10.0533 -28.8765 19.7664 -28.8765 -20.4623 GPRESSAVG: 3709000 26.9818 5.59331 19.8535 6.97485 11.2178 -29.0932 19.6875 -28.9597 -20.1986 TIMING: 3709000 CPU: 11109.9, 0.00307089/step Wall: 11109.9, 0.00307089/step, 1.10125 hours remaining, 205.804688 MB of memory in use. ENERGY: 3709000 720.3531 2104.3568 1929.8629 111.4580 -206128.7263 17640.5106 0.0000 0.0000 34337.4857 -149284.6993 299.8778 -183622.1850 -149190.3129 299.4566 19.3931 49.2774 555773.1251 6.0377 6.0003 PRESSURE: 3709200 107.275 -157.825 -26.1957 -157.824 -148.459 19.0483 -26.1963 19.0483 -163.142 GPRESSURE: 3709200 65.9984 -133.514 -20.531 -169.466 -54.9015 80.9816 -8.6953 43.3771 -116.146 PRESSAVG: 3709200 -25.953 -49.6854 20.7074 -49.6853 5.32905 -11.6157 20.7073 -11.6155 48.7556 GPRESSAVG: 3709200 -24.3322 -49.424 19.6277 -50.0366 4.23318 -9.1793 19.975 -11.7423 48.2352 TIMING: 3709200 CPU: 11110.5, 0.00304175/step Wall: 11110.5, 0.00304175/step, 1.09064 hours remaining, 205.804688 MB of memory in use. ENERGY: 3709200 716.6395 2091.6625 1903.3267 115.8872 -206363.4012 17659.5740 0.0000 0.0000 34513.4343 -149362.8771 301.4144 -183876.3114 -149265.3158 299.9139 -68.1087 -35.0163 555867.5136 9.3772 9.3787 PRESSURE: 3709400 204.127 -142.298 131.487 -142.297 277.647 -228.429 131.487 -228.429 106.788 GPRESSURE: 3709400 228.095 -180.114 101.257 -158.921 274.811 -252.281 170.264 -188.429 179.015 PRESSAVG: 3709400 -41.4307 -28.3377 -33.5227 -28.3376 32.4563 73.682 -33.5226 73.682 -15.2781 GPRESSAVG: 3709400 -41.8452 -27.9069 -33.9681 -28.4762 33.2882 70.7938 -31.6195 73.9434 -15.6896 TIMING: 3709400 CPU: 11111.2, 0.00303296/step Wall: 11111.2, 0.00303296/step, 1.08731 hours remaining, 205.804688 MB of memory in use. ENERGY: 3709400 747.5060 2075.1791 1963.4657 108.0170 -206575.3968 18194.2142 0.0000 0.0000 34303.7474 -149183.2675 299.5832 -183487.0148 -149079.1660 299.6249 196.1873 227.3070 556751.0348 -8.0842 -8.0822 PRESSURE: 3709600 -178.319 -33.1532 42.8874 -33.1527 -130.057 71.1773 42.8881 71.1778 -102.177 GPRESSURE: 3709600 -157.802 30.8694 85.1109 -48.3016 -132.695 57.5936 82.9925 -40.0265 -35.2414 PRESSAVG: 3709600 -4.88932 -5.62583 -34.148 -5.62582 38.0337 32.0865 -34.1482 32.0863 -27.3635 GPRESSAVG: 3709600 -4.6782 -6.10988 -31.6286 -6.53804 37.2852 32.8701 -35.5725 32.1976 -26.9827 TIMING: 3709600 CPU: 11111.8, 0.00304333/step Wall: 11111.8, 0.00304333/step, 1.09086 hours remaining, 205.804688 MB of memory in use. ENERGY: 3709600 684.9818 2043.7112 1948.3094 121.5516 -206098.8478 17606.6259 0.0000 0.0000 34245.6895 -149447.9785 299.0761 -183693.6679 -149356.7720 299.0854 -136.8511 -108.5794 557632.1626 1.9270 1.8748 PRESSURE: 3709800 -190.49 -64.926 0.251394 -64.9252 -21.6268 -29.5697 0.251711 -29.5674 77.0815 GPRESSURE: 3709800 -177.051 22.6636 93.5378 -66.5104 44.7717 -1.08469 -59.4183 -40.1782 74.9181 PRESSAVG: 3709800 -39.8003 -38.0252 24.0869 -38.0253 31.1757 -2.00052 24.0869 -2.00059 -33.1983 GPRESSAVG: 3709800 -40.4358 -37.6388 22.9193 -37.0741 31.1477 -3.2532 23.5538 -2.65045 -32.7526 TIMING: 3709800 CPU: 11112.4, 0.00303065/step Wall: 11112.4, 0.00303065/step, 1.08615 hours remaining, 205.804688 MB of memory in use. ENERGY: 3709800 761.5376 2080.0395 1912.8472 119.5060 -206392.9230 17863.6576 0.0000 0.0000 34217.8919 -149437.4431 298.8334 -183655.3351 -149336.1844 298.4902 -45.0116 -19.1204 559827.0453 -13.9410 -14.0136 PRESSURE: 3710000 -110.784 -118.334 -169.584 -118.333 -139.185 -142.761 -169.584 -142.76 -139.182 GPRESSURE: 3710000 -124.293 -177.855 -211.033 -45.5506 -87.7512 -162.787 -105.52 -130.212 -83.7108 PRESSAVG: 3710000 -21.2985 -20.3108 26.5802 -20.3107 17.5331 -11.7138 26.5803 -11.7138 5.86024 GPRESSAVG: 3710000 -20.6434 -19.0535 26.248 -20.0638 18.0895 -12.4199 26.6954 -9.40961 5.37885 TIMING: 3710000 CPU: 11113, 0.00301256/step Wall: 11113, 0.00301256/step, 1.0795 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: 3710000 753.7717 2120.1223 1936.2223 114.3171 -206604.9314 17837.8052 0.0000 0.0000 34414.6204 -149428.0724 300.5514 -183842.6927 -149342.0125 298.7850 -129.7173 -98.5850 558360.3239 0.6983 0.9417 PRESSURE: 3710200 -14.6283 -55.1794 -27.198 -55.18 -100.933 -1.97332 -27.1985 -1.9741 4.51957 GPRESSURE: 3710200 36.5382 -21.1477 -44.2831 4.32923 -77.2733 -91.9869 41.9725 59.6539 32.3644 PRESSAVG: 3710200 19.1059 22.1229 56.8543 22.123 -39.0902 -11.2031 56.8543 -11.2031 34.6813 GPRESSAVG: 3710200 19.3849 22.2822 57.147 22.7088 -40.2156 -10.3624 55.0545 -12.0747 35.0234 TIMING: 3710200 CPU: 11113.6, 0.0030428/step Wall: 11113.6, 0.0030428/step, 1.09017 hours remaining, 205.804688 MB of memory in use. ENERGY: 3710200 734.9339 2101.4283 1928.5520 118.1431 -206485.7439 17956.1334 0.0000 0.0000 34365.0855 -149281.4677 300.1188 -183646.5532 -149184.7335 298.9357 -37.0140 -2.7902 558372.3458 4.8990 4.7309 PRESSURE: 3710400 -99.5688 74.0315 177.518 74.0305 51.0733 -33.601 177.518 -33.6009 -249.366 GPRESSURE: 3710400 -68.8438 30.6164 167.671 -66.1813 78.8212 -204.067 110.227 63.1073 -219.603 PRESSAVG: 3710400 24.8268 -48.297 9.94043 -48.297 -13.4084 -8.69285 9.94038 -8.6929 -16.9164 GPRESSAVG: 3710400 24.7577 -50.9166 8.44404 -49.0903 -12.878 -9.59898 12.7587 -8.63042 -16.9115 TIMING: 3710400 CPU: 11114.2, 0.0030608/step Wall: 11114.2, 0.0030608/step, 1.09645 hours remaining, 205.804688 MB of memory in use. ENERGY: 3710400 761.8420 2135.9882 1928.5349 112.9259 -206575.1876 17893.2585 0.0000 0.0000 34387.6157 -149355.0224 300.3156 -183742.6381 -149265.9901 298.9997 -99.2871 -69.8752 558150.7716 -1.8326 -1.6773 PRESSURE: 3710600 -55.4368 39.8078 -26.1556 39.8077 7.11273 -191.977 -26.1563 -191.976 -33.1801 GPRESSURE: 3710600 -2.01175 10.6257 -94.5644 7.3705 4.0919 -176.213 64.2636 -185.622 7.30233 PRESSAVG: 3710600 62.6168 17.5688 -32.7224 17.5687 -35.842 -61.8994 -32.7224 -61.8994 5.58704 GPRESSAVG: 3710600 62.1866 19.3346 -32.4195 16.5577 -34.4683 -61.9425 -31.7854 -63.0371 5.0344 TIMING: 3710600 CPU: 11114.8, 0.00310031/step Wall: 11114.8, 0.00310031/step, 1.11043 hours remaining, 205.804688 MB of memory in use. ENERGY: 3710600 753.0112 2148.0833 1944.3891 108.4408 -206276.3398 17958.3335 0.0000 0.0000 33985.8594 -149378.2225 296.8070 -183364.0819 -149280.1877 299.0971 -27.1681 3.1275 558362.2724 10.7873 10.9176 PRESSURE: 3710800 110.011 -42.0215 -67.5617 -42.0223 245.534 72.2057 -67.5626 72.206 -79.1815 GPRESSURE: 3710800 212.285 -72.2957 -74.6935 -4.17052 238.729 10.344 -111.33 4.79672 -65.2908 PRESSAVG: 3710800 0.10577 -42.9787 16.3561 -42.9786 17.4994 -4.45403 16.356 -4.45403 -18.6441 GPRESSAVG: 3710800 -1.10084 -43.4417 18.5704 -40.4667 16.7992 -2.36783 14.604 -3.26843 -16.8902 TIMING: 3710800 CPU: 11115.4, 0.00305473/step Wall: 11115.4, 0.00305473/step, 1.09393 hours remaining, 205.804688 MB of memory in use. ENERGY: 3710800 756.8349 2044.2233 1912.5546 104.7883 -206770.4267 18230.9967 0.0000 0.0000 34289.0959 -149431.9330 299.4552 -183721.0289 -149334.1238 298.9086 92.1212 128.5742 557081.6857 -0.3463 -0.3973 PRESSURE: 3711000 73.9309 341.206 26.2934 341.205 118.515 -109.066 26.2922 -109.066 114.102 GPRESSURE: 3711000 113.271 323.427 -69.7116 302.992 166.837 -171.419 38.9975 -138.829 124.649 PRESSAVG: 3711000 27.3248 11.5554 21.1529 11.5554 6.65725 21.4823 21.1528 21.4823 -43.8023 GPRESSAVG: 3711000 27.2954 11.4829 19.7172 10.2403 7.42635 19.1184 22.2577 21.6313 -45.2403 TIMING: 3711000 CPU: 11116, 0.00304372/step Wall: 11116, 0.00304372/step, 1.08982 hours remaining, 205.804688 MB of memory in use. ENERGY: 3711000 755.9051 2056.3114 1938.0300 118.8828 -206577.2236 18037.6138 0.0000 0.0000 34099.5761 -149570.9044 297.8001 -183670.4805 -149480.1624 298.5622 102.1827 134.9189 557638.4088 -3.2734 -3.5062 PRESSURE: 3711200 -87.1277 38.9242 97.7791 38.9241 18.3523 12.0766 97.7794 12.0758 -183.956 GPRESSURE: 3711200 -19.549 104.089 41.9731 55.1131 57.2601 -14.6285 63.7776 97.6419 -193.853 PRESSAVG: 3711200 5.72954 18.0585 1.83763 18.0585 68.4256 14.4971 1.83763 14.4971 -34.4921 GPRESSAVG: 3711200 6.76476 19.023 3.06795 20.0894 66.5375 16.8595 1.46812 12.7249 -33.7222 TIMING: 3711200 CPU: 11116.6, 0.00303406/step Wall: 11116.6, 0.00303406/step, 1.0862 hours remaining, 205.804688 MB of memory in use. ENERGY: 3711200 709.5739 2084.1800 1909.8129 99.5201 -206222.8383 17568.2837 0.0000 0.0000 34438.5125 -149412.9552 300.7601 -183851.4677 -149317.7471 298.6960 -84.2437 -52.0472 557785.9462 13.2210 13.1934 PRESSURE: 3711400 64.8104 6.98774 -29.7361 6.98623 -43.6198 166.9 -29.736 166.9 209.245 GPRESSURE: 3711400 101.069 -40.7005 -114.571 -3.77919 22.633 134.865 -64.7871 86.3183 192.906 PRESSAVG: 3711400 -5.55129 -19.4382 -20.3416 -19.4383 4.10968 72.2982 -20.3416 72.2981 -30.8764 GPRESSAVG: 3711400 -6.75177 -19.5855 -21.0839 -20.1719 5.79748 70.5638 -19.3186 72.5288 -31.1221 TIMING: 3711400 CPU: 11117.2, 0.00302032/step Wall: 11117.2, 0.00302032/step, 1.08111 hours remaining, 205.804688 MB of memory in use. ENERGY: 3711400 760.5691 2118.6073 1932.0118 121.5440 -206534.2438 18078.4617 0.0000 0.0000 34310.7288 -149212.3211 299.6441 -183523.0499 -149113.1498 299.6266 76.8118 105.5362 558023.8993 -10.7727 -10.6921 PRESSURE: 3711600 -94.8524 -96.5785 5.5281 -96.5778 -138.67 -130.897 5.52763 -130.897 -21.0538 GPRESSURE: 3711600 -60.3287 -11.5532 -59.1472 -118.333 -123.589 -48.7967 93.6299 -119.791 28.1474 PRESSAVG: 3711600 -20.2153 -10.3919 -33.8296 -10.3919 -40.8387 -3.47482 -33.8295 -3.4748 66.3541 GPRESSAVG: 3711600 -20.1301 -12.437 -35.8771 -11.494 -41.9695 -2.35034 -32.7346 -3.03864 67.1685 TIMING: 3711600 CPU: 11117.9, 0.00305329/step Wall: 11117.9, 0.00305329/step, 1.09274 hours remaining, 205.804688 MB of memory in use. ENERGY: 3711600 741.5583 2138.8143 1921.2671 113.9143 -206241.6921 17831.5656 0.0000 0.0000 34145.1248 -149349.4477 298.1979 -183494.5725 -149257.5153 299.6074 -84.8587 -51.9235 557135.4223 1.7667 1.6896 PRESSURE: 3711800 -200.788 84.34 130.499 84.34 -124.098 40.8672 130.5 40.8689 -7.4321 GPRESSURE: 3711800 -105.315 76.1892 83.4299 100.946 -81.0823 74.2126 89.0858 14.6929 -45.046 PRESSAVG: 3711800 28.5306 0.24045 1.73654 0.240476 -46.9466 -35.6962 1.73652 -35.6961 34.4797 GPRESSAVG: 3711800 28.5245 2.02303 4.16033 0.465289 -46.4538 -35.4403 0.0903315 -37.0311 33.6259 TIMING: 3711800 CPU: 11118.5, 0.00307611/step Wall: 11118.5, 0.00307611/step, 1.10074 hours remaining, 205.804688 MB of memory in use. ENERGY: 3711800 736.0455 2074.3867 1914.3651 127.0412 -205806.7787 17605.4251 0.0000 0.0000 34127.0690 -149222.4461 298.0402 -183349.5151 -149121.0097 299.1319 -110.7727 -77.1476 559374.3569 5.3546 5.2322 PRESSURE: 3712000 219.558 72.146 50.4388 72.1467 407.985 33.6917 50.4383 33.6906 74.3108 GPRESSURE: 3712000 235.718 94.4385 96.6824 12.8538 392.437 146.07 -31.4918 -17.9596 159.191 PRESSAVG: 3712000 -1.44521 39.4486 14.3222 39.4486 18.3431 29.2399 14.3223 29.2398 -24.0111 GPRESSAVG: 3712000 -1.13382 41.2015 17.0785 38.737 18.0108 27.6737 12.7613 31.4687 -24.1624 TIMING: 3712000 CPU: 11119.1, 0.00305519/step Wall: 11119.1, 0.00305519/step, 1.09308 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: 3712000 747.8535 2144.5921 1977.0650 119.3858 -206530.3870 18178.8108 0.0000 0.0000 34272.0406 -149090.6392 299.3063 -183362.6798 -148995.3934 299.3828 233.9512 262.4485 557515.0810 -2.3711 -2.4284 PRESSURE: 3712200 61.0947 -55.4062 17.3778 -55.4059 -2.93608 -230.602 17.3783 -230.6 41.6038 GPRESSURE: 3712200 89.0786 -77.3794 -28.014 -16.2998 -12.3085 -218.056 -38.7543 -297.757 117.594 PRESSAVG: 3712200 -43.6156 -23.418 0.24796 -23.418 -0.397071 10.8602 0.247893 10.8602 29.5845 GPRESSAVG: 3712200 -44.1642 -24.4002 -3.72738 -23.7333 0.167458 11.8562 1.64741 10.9949 29.622 TIMING: 3712200 CPU: 11119.7, 0.00304803/step Wall: 11119.7, 0.00304803/step, 1.09035 hours remaining, 205.804688 MB of memory in use. ENERGY: 3712200 755.6038 2134.5619 1926.0656 96.8728 -206313.6922 17875.7602 0.0000 0.0000 34331.7308 -149193.0971 299.8275 -183524.8279 -149096.9234 300.0686 33.2541 64.7879 558330.5065 -4.8094 -4.7916 LDB: ============= START OF LOAD BALANCING ============== 11123.1 LDB: ============== END OF LOAD BALANCING =============== 11123.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11123.1 LDB: ============= START OF LOAD BALANCING ============== 11123.4 LDB: Largest compute 4820 load 0.023888 is 20.2% of average load 0.118191 LDB: Average compute 0.001723 is 1.5% of average load 0.118191 LDB: TIME 11123.4 LOAD: AVG 0.118191 MAX 0.218486 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.836 MB LDB: TIME 11123.4 LOAD: AVG 0.118191 MAX 0.218486 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.836 MB LDB: TIME 11123.4 LOAD: AVG 0.118191 MAX 0.218486 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.836 MB LDB: ============== END OF LOAD BALANCING =============== 11123.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11123.4 PRESSURE: 3712400 -58.5301 31.1105 -32.6843 31.1105 -18.7108 -115.707 -32.6857 -115.706 243.268 GPRESSURE: 3712400 40.1161 12.2307 -32.4901 109.429 -8.72753 -111.445 -1.62311 -155.815 237.067 PRESSAVG: 3712400 -15.3723 -33.4384 -40.6314 -33.4384 -42.6055 33.5352 -40.6313 33.5352 64.6098 GPRESSAVG: 3712400 -14.3449 -32.3265 -38.1478 -33.3337 -42.3179 33.1955 -42.0767 32.6446 63.4225 TIMING: 3712400 CPU: 11120.3, 0.00312356/step Wall: 11120.3, 0.00312356/step, 1.11719 hours remaining, 206.835938 MB of memory in use. ENERGY: 3712400 774.8583 2096.7537 1928.9425 99.0967 -206164.7709 17791.3682 0.0000 0.0000 34218.7782 -149254.9732 298.8411 -183473.7514 -149160.3243 299.6327 55.3423 89.4851 557147.1237 2.2107 2.2532 PRESSURE: 3712600 -293.141 -34.9535 80.8563 -34.9538 161.143 -90.3417 80.8551 -90.3442 141.375 GPRESSURE: 3712600 -230.889 -155.209 115.184 44.5105 190.005 -155.862 -2.47767 -79.8164 157.484 PRESSAVG: 3712600 -35.6 30.4254 -14.0792 30.4253 25.8979 17.9639 -14.0793 17.9637 34.9859 GPRESSAVG: 3712600 -35.902 30.078 -14.9384 29.9064 26.0526 17.3189 -13.776 16.1614 35.2309 TIMING: 3712600 CPU: 11120.9, 0.0030537/step Wall: 11120.9, 0.0030537/step, 1.09204 hours remaining, 206.835938 MB of memory in use. ENERGY: 3712600 743.2527 2133.7780 1911.4504 120.2767 -206077.9914 17589.8928 0.0000 0.0000 34401.3940 -149177.9467 300.4359 -183579.3407 -149079.7284 298.9940 3.1254 38.8667 555410.2932 8.4280 8.4605 PRESSURE: 3712800 215.572 -131.829 -65.0629 -131.829 142.202 -94.3994 -65.0636 -94.3998 141.528 GPRESSURE: 3712800 202.323 -110.291 -91.4416 -98.9332 191.907 -83.7121 -22.7941 -65.7717 204.031 PRESSAVG: 3712800 -23.4175 -24.7285 5.70897 -24.7287 42.7109 -20.8898 5.70891 -20.8897 17.9303 GPRESSAVG: 3712800 -23.6525 -27.2694 5.00241 -22.0311 42.9175 -19.2471 7.08405 -17.4047 18.0358 TIMING: 3712800 CPU: 11121.6, 0.00312301/step Wall: 11121.6, 0.00312301/step, 1.11665 hours remaining, 206.835938 MB of memory in use. ENERGY: 3712800 766.6544 2090.1571 1942.2495 133.0317 -206501.4813 18025.9210 0.0000 0.0000 34456.1281 -149087.3395 300.9139 -183543.4675 -148988.0460 299.9455 166.4342 199.4204 556375.1445 12.4079 12.4336 PRESSURE: 3713000 -40.4679 48.9003 57.8969 48.8987 97.1484 -39.6506 57.8978 -39.6504 -292.081 GPRESSURE: 3713000 52.0026 130.51 -23.1165 46.3479 117.024 86.2967 87.303 -58.7349 -304.715 PRESSAVG: 3713000 28.8632 -12.1182 16.5778 -12.1181 41.4397 -0.804313 16.5778 -0.804326 -36.7107 GPRESSAVG: 3713000 29.8493 -9.25498 15.2942 -14.4006 40.8803 -1.24047 17.1354 -3.37169 -37.1284 TIMING: 3713000 CPU: 11122.2, 0.00308/step Wall: 11122.2, 0.00308/step, 1.1011 hours remaining, 206.835938 MB of memory in use. ENERGY: 3713000 759.0607 2099.7531 1939.5132 107.9804 -206016.2472 17718.8764 0.0000 0.0000 34151.9298 -149239.1337 298.2573 -183391.0635 -149141.4379 299.4882 -78.4667 -45.2295 557330.4543 11.1974 11.2004 PRESSURE: 3713200 -270.517 -17.2154 -54.8347 -17.2159 -125.858 250.075 -54.8359 250.075 -181.563 GPRESSURE: 3713200 -228.536 -30.961 -25.2028 -25.5616 -102.708 264.038 -31.3222 230.292 -144.196 PRESSAVG: 3713200 -51.7078 23.8289 23.5302 23.8288 49.4822 2.54981 23.5302 2.54987 10.7962 GPRESSAVG: 3713200 -52.1252 23.0461 24.6204 24.9959 48.8081 1.14775 22.6021 5.68994 12.0989 TIMING: 3713200 CPU: 11122.8, 0.00309508/step Wall: 11122.8, 0.00309508/step, 1.10632 hours remaining, 206.835938 MB of memory in use. ENERGY: 3713200 782.0854 2109.7488 1936.5713 114.1115 -206189.2415 17612.1333 0.0000 0.0000 34231.6865 -149402.9047 298.9538 -183634.5912 -149309.2226 299.4691 -192.6458 -158.4797 557620.4274 2.8569 2.9273 PRESSURE: 3713400 -261.12 92.7588 30.5369 92.7587 -46.4364 -133.451 30.5374 -133.448 61.5287 GPRESSURE: 3713400 -213.434 47.264 95.735 97.9654 -1.85753 -189.636 -14.7587 -64.1211 47.8609 PRESSAVG: 3713400 -29.6512 -7.71408 6.13194 -7.71408 46.96 4.3686 6.13192 4.3687 -29.1904 GPRESSAVG: 3713400 -30.3582 -8.27664 8.04347 -9.47775 47.0634 6.32708 6.21338 2.4928 -29.0208 TIMING: 3713400 CPU: 11123.4, 0.0030904/step Wall: 11123.4, 0.0030904/step, 1.10448 hours remaining, 206.835938 MB of memory in use. ENERGY: 3713400 763.9341 2074.6111 1936.1814 123.5719 -205972.0580 17696.9874 0.0000 0.0000 34117.3770 -149259.3950 297.9555 -183376.7720 -149165.6985 299.2798 -82.0093 -55.8104 557655.5746 -3.9605 -4.1052 PRESSURE: 3713600 -26.0444 41.4566 60.1597 41.4576 31.911 -34.0782 60.16 -34.0777 -394.853 GPRESSURE: 3713600 -38.992 -7.09843 133.324 65.1699 74.8572 -17.2794 11.1599 -163.839 -328.809 PRESSAVG: 3713600 -0.74415 14.0614 15.9108 14.0613 8.50825 17.9677 15.9108 17.9678 -50.0979 GPRESSAVG: 3713600 -0.338091 13.8454 14.8013 14.3837 9.92114 18.3065 15.2759 17.4299 -51.5672 TIMING: 3713600 CPU: 11124, 0.00308405/step Wall: 11124, 0.00308405/step, 1.10203 hours remaining, 206.835938 MB of memory in use. ENERGY: 3713600 727.7548 2124.9242 1906.7406 113.1701 -206086.9168 17790.1228 0.0000 0.0000 34132.6705 -149291.5338 298.0891 -183424.2044 -149200.2303 299.5195 -129.6622 -97.6478 558442.2622 -14.1113 -13.9947 PRESSURE: 3713800 -355.887 -82.205 -275.894 -82.2053 111.395 -22.6237 -275.894 -22.6252 -37.4806 GPRESSURE: 3713800 -297.918 -23.4218 -272.589 -63.9375 81.4336 -49.1239 -212.036 -101.756 29.7118 PRESSAVG: 3713800 -13.7343 -51.238 8.88881 -51.2379 54.881 -47.1549 8.88883 -47.1549 -48.3804 GPRESSAVG: 3713800 -12.6724 -49.6546 8.57424 -53.1779 53.8657 -47.8548 11.1198 -47.4552 -48.317 TIMING: 3713800 CPU: 11124.6, 0.00306691/step Wall: 11124.6, 0.00306691/step, 1.09574 hours remaining, 206.835938 MB of memory in use. ENERGY: 3713800 733.8407 2121.0282 1943.4830 105.5978 -206151.6409 17844.1267 0.0000 0.0000 34196.1980 -149207.3664 298.6439 -183403.5645 -149111.9179 298.6211 -93.9909 -62.2575 557664.9129 -2.4113 -2.3746 PRESSURE: 3714000 43.3179 -2.24763 -47.5051 -2.24675 -168.644 145.299 -47.505 145.3 -162.224 GPRESSURE: 3714000 34.3244 -2.75012 -49.0496 -16.5332 -50.4923 94.4073 -32.2845 97.4642 -176.535 PRESSAVG: 3714000 15.8723 -22.7386 -7.53846 -22.7387 -21.0695 1.02567 -7.53851 1.02554 22.4016 GPRESSAVG: 3714000 14.6645 -22.7579 -5.66605 -20.5984 -19.7865 -0.694206 -9.88859 3.69375 22.2557 TIMING: 3714000 CPU: 11125.2, 0.00305144/step Wall: 11125.2, 0.00305144/step, 1.09004 hours remaining, 206.835938 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: 3714000 772.9010 2072.3750 1963.4344 127.6214 -205756.4807 17674.9255 0.0000 0.0000 34081.8389 -149063.3844 297.6452 -183145.2233 -148962.9527 299.8373 -95.8503 -64.2343 557869.0408 5.7348 5.7112 PRESSURE: 3714200 77.6548 110.532 222.673 110.532 64.3916 -76.285 222.673 -76.285 99.1576 GPRESSURE: 3714200 121.119 15.7591 180.971 55.6355 126.747 -27.5259 141.887 -92.9566 90.0865 PRESSAVG: 3714200 38.8268 -17.8598 36.107 -17.86 -57.3447 -21.6231 36.1069 -21.6231 -9.90309 GPRESSAVG: 3714200 39.4189 -18.4073 33.6496 -18.4297 -58.9431 -20.629 38.1242 -21.1171 -9.19941 TIMING: 3714200 CPU: 11125.9, 0.00304526/step Wall: 11125.9, 0.00304526/step, 1.08767 hours remaining, 206.835938 MB of memory in use. ENERGY: 3714200 729.3877 2086.4747 1950.7929 121.4808 -206015.1123 17658.2888 0.0000 0.0000 34415.9586 -149052.7288 300.5631 -183468.6874 -148966.6943 299.2832 80.4013 112.6506 556105.0441 -9.4737 -9.5745 PRESSURE: 3714400 133.085 -192.52 -118.42 -192.52 -9.65274 49.056 -118.419 49.0553 -251.391 GPRESSURE: 3714400 249.127 -200.449 -105.038 -182.196 -48.7802 -50.1606 -86.8645 167.608 -236.245 PRESSAVG: 3714400 74.6965 -20.5482 78.7158 -20.5483 -58.3856 -20.7072 78.7158 -20.7072 -39.063 GPRESSAVG: 3714400 73.9451 -19.9882 80.8792 -22.0657 -58.8669 -21.7219 77.0795 -22.3068 -38.1049 TIMING: 3714400 CPU: 11126.5, 0.00304989/step Wall: 11126.5, 0.00304989/step, 1.08915 hours remaining, 206.835938 MB of memory in use. ENERGY: 3714400 726.7869 2046.1486 1930.3126 100.7566 -205869.7931 17625.7543 0.0000 0.0000 34484.4011 -148955.6329 301.1609 -183440.0340 -148852.0396 300.1092 -42.6531 -11.9658 558037.0369 -7.5840 -7.6756 PRESSURE: 3714600 3.3437 114.771 -157.742 114.77 42.7239 18.2508 -157.743 18.2507 -44.2607 GPRESSURE: 3714600 25.1978 99.2765 -71.8597 100.541 73.6889 84.4011 -96.8766 57.843 -7.82398 PRESSAVG: 3714600 69.6805 11.0034 14.4617 11.0033 15.3359 -29.7802 14.4618 -29.7803 -87.9799 GPRESSAVG: 3714600 69.7033 9.06615 13.0355 13.2386 15.9026 -27.2771 14.9992 -27.8667 -89.0227 TIMING: 3714600 CPU: 11127.1, 0.0030684/step Wall: 11127.1, 0.0030684/step, 1.09559 hours remaining, 206.835938 MB of memory in use. ENERGY: 3714600 755.0761 2129.4211 1931.8885 115.7982 -206129.7491 17899.9079 0.0000 0.0000 34337.0327 -148960.6246 299.8738 -183297.6573 -148873.3562 300.6337 0.6023 30.3542 557824.5911 -0.9878 -1.1389 PRESSURE: 3714800 81.9409 -146.184 -37.536 -146.183 47.6063 134.547 -37.5346 134.544 -316.061 GPRESSURE: 3714800 92.8094 -243.701 -55.3629 -110.953 77.7321 125.567 -34.4927 114.921 -259.157 PRESSAVG: 3714800 17.0986 -14.3713 21.2517 -14.3712 11.907 29.2587 21.2518 29.2586 -22.4778 GPRESSAVG: 3714800 15.9764 -14.6103 22.4236 -11.0115 12.0587 25.893 18.3117 29.2133 -21.0533 TIMING: 3714800 CPU: 11127.7, 0.00304982/step Wall: 11127.7, 0.00304982/step, 1.08878 hours remaining, 206.835938 MB of memory in use. ENERGY: 3714800 714.1601 2077.3406 1932.2466 100.3066 -205625.4696 17681.8258 0.0000 0.0000 34069.5098 -149050.0801 297.5375 -183119.5899 -148945.0891 299.9479 -62.1711 -29.5385 559485.8570 2.1759 2.3273 PRESSURE: 3715000 -18.7004 80.0737 -26.8214 80.0744 180.119 -44.5054 -26.8236 -44.5051 98.4337 GPRESSURE: 3715000 21.2944 196.053 -8.1186 37.9513 207.319 14.5424 -91.5881 -140.605 124.075 PRESSAVG: 3715000 33.1369 -1.35104 -30.1445 -1.35091 5.96479 15.974 -30.1445 15.974 -21.067 GPRESSAVG: 3715000 33.0608 -0.274816 -31.7832 -3.74352 7.19744 18.0513 -25.9884 14.0166 -22.2218 TIMING: 3715000 CPU: 11128.3, 0.00306086/step Wall: 11128.3, 0.00306087/step, 1.09256 hours remaining, 206.835938 MB of memory in use. ENERGY: 3715000 729.5660 2091.6290 1917.2768 117.3412 -206282.1417 17960.1966 0.0000 0.0000 34243.7791 -149222.3530 299.0594 -183466.1321 -149125.4078 299.7174 86.6175 117.5628 557208.5540 6.0116 6.0121 PRESSURE: 3715200 -170.179 150.788 -32.0492 150.788 -180.145 92.8111 -32.0489 92.8109 -205.879 GPRESSURE: 3715200 -188.703 75.0733 -4.36398 121.003 -85.8864 87.6121 -28.8011 85.8199 -182.574 PRESSAVG: 3715200 -20.102 37.1717 -72.7066 37.1718 -15.3633 -20.8017 -72.7065 -20.8017 13.0785 GPRESSAVG: 3715200 -19.2834 35.2951 -73.126 39.5047 -16.1683 -21.258 -73.0859 -20.5966 12.712 TIMING: 3715200 CPU: 11128.9, 0.00302473/step Wall: 11128.9, 0.00302473/step, 1.07949 hours remaining, 206.835938 MB of memory in use. ENERGY: 3715200 756.6609 2132.1874 1966.2796 121.5341 -205914.9081 17596.3575 0.0000 0.0000 34319.7118 -149022.1768 299.7226 -183341.8886 -148929.6702 299.1867 -185.4011 -152.3877 557314.9013 -7.4623 -7.5799 PRESSURE: 3715400 -84.7237 -0.670862 -48.4382 -0.672307 -272.552 -188.724 -48.4401 -188.725 -275.705 GPRESSURE: 3715400 -91.4885 -17.7543 -121.36 62.0087 -255.538 -187.628 -11.381 -124.671 -191.854 PRESSAVG: 3715400 55.4903 -3.74273 -7.04945 -3.74278 -5.04146 -50.9058 -7.04936 -50.9058 -38.875 GPRESSAVG: 3715400 55.4322 -0.883304 -7.68328 -7.83301 -4.2318 -51.1031 -7.94566 -49.6083 -39.0717 TIMING: 3715400 CPU: 11129.5, 0.00306189/step Wall: 11129.5, 0.00306189/step, 1.09258 hours remaining, 206.835938 MB of memory in use. ENERGY: 3715400 784.1112 2119.3894 1935.0137 123.5039 -206004.4732 17677.7026 0.0000 0.0000 34290.1392 -149074.6131 299.4643 -183364.7523 -148978.4996 299.3981 -210.9935 -179.6269 557160.3916 3.8579 4.0429 PRESSURE: 3715600 -245.555 -44.4245 -64.0365 -44.4249 -237.432 -110.857 -64.0356 -110.858 9.38001 GPRESSURE: 3715600 -209.007 -66.6336 -147.367 -18.6996 -181.576 -91.9982 -48.71 -113.253 27.4286 PRESSAVG: 3715600 35.8067 25.4736 7.21674 25.4735 -35.19 18.3058 7.21666 18.3059 15.2638 GPRESSAVG: 3715600 36.7829 24.0948 8.62213 28.1428 -36.0796 19.2886 4.88416 18.7204 14.8935 TIMING: 3715600 CPU: 11130.1, 0.00308399/step Wall: 11130.1, 0.00308399/step, 1.1003 hours remaining, 206.835938 MB of memory in use. ENERGY: 3715600 762.1704 2112.3514 1933.2310 103.3510 -205726.0293 17599.6091 0.0000 0.0000 34095.7878 -149119.5285 297.7670 -183215.3163 -149024.8948 299.7559 -157.8690 -121.0515 557275.2298 5.2935 5.1989 PRESSURE: 3715800 -223.362 -44.5861 -28.0053 -44.5858 51.4828 -74.2475 -28.0042 -74.2471 -89.8604 GPRESSURE: 3715800 -154.084 -35.0178 -3.89885 14.3798 30.2614 -51.9732 -89.8527 -41.4763 -36.3253 PRESSAVG: 3715800 7.37382 4.24066 -37.0791 4.24069 -73.9878 -30.046 -37.0791 -30.046 29.3518 GPRESSAVG: 3715800 6.58064 2.66414 -38.5656 3.46542 -73.8558 -31.0526 -35.2612 -30.6699 29.9094 TIMING: 3715800 CPU: 11130.7, 0.00306568/step Wall: 11130.7, 0.00306568/step, 1.09359 hours remaining, 206.835938 MB of memory in use. ENERGY: 3715800 732.9339 2136.8337 1947.5093 109.6819 -206155.9063 17693.9101 0.0000 0.0000 34396.7086 -149138.3288 300.3950 -183535.0373 -149043.0763 299.6582 -87.2464 -53.3826 558000.9649 -12.4207 -12.4553 PRESSURE: 3716000 -127.135 -14.8989 -90.518 -14.8988 -55.201 55.1554 -90.5197 55.1553 14.625 GPRESSURE: 3716000 -114.602 -73.9773 -158.205 -54.796 -33.1203 77.9469 -15.7016 133.935 68.6795 PRESSAVG: 3716000 -3.56796 29.8249 46.237 29.8249 26.7213 20.8756 46.2369 20.8756 24.3908 GPRESSAVG: 3716000 -3.74663 31.2778 47.4552 28.7222 26.8793 21.0963 46.6444 21.772 24.5456 TIMING: 3716000 CPU: 11131.4, 0.00306584/step Wall: 11131.4, 0.00306584/step, 1.09348 hours remaining, 206.835938 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: 3716000 749.8481 2052.4405 1950.6781 106.9436 -206065.8809 17777.8580 0.0000 0.0000 34397.4434 -149030.6692 300.4014 -183428.1126 -148930.6729 299.9344 -55.9035 -26.3476 558326.3999 15.8480 15.8928 PRESSURE: 3716200 -115.187 -195.427 197.362 -195.426 101.585 55.9414 197.361 55.9399 -166.639 GPRESSURE: 3716200 -26.6701 -216.596 94.7642 -143.681 151.391 -27.9209 179.546 109.381 -203.599 PRESSAVG: 3716200 -26.8513 -56.4272 69.6036 -56.4271 27.5343 -39.5665 69.6035 -39.5667 1.34226 GPRESSAVG: 3716200 -28.3345 -57.0837 70.4452 -56.1302 28.5505 -38.7751 68.2898 -43.074 1.75693 TIMING: 3716200 CPU: 11132, 0.003054/step Wall: 11132, 0.003054/step, 1.08909 hours remaining, 206.835938 MB of memory in use. ENERGY: 3716200 763.5134 2131.4801 1966.4609 110.7276 -205986.4071 17615.1292 0.0000 0.0000 34262.1615 -149136.9344 299.2200 -183399.0959 -149044.9452 299.8428 -60.0804 -26.2925 556862.3737 0.6751 0.6577 LDB: ============= START OF LOAD BALANCING ============== 11135.4 LDB: ============== END OF LOAD BALANCING =============== 11135.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11135.4 LDB: ============= START OF LOAD BALANCING ============== 11135.7 LDB: Largest compute 4820 load 0.023654 is 20.0% of average load 0.118106 LDB: Average compute 0.001717 is 1.5% of average load 0.118106 LDB: TIME 11135.7 LOAD: AVG 0.118106 MAX 0.22429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.41 MB LDB: TIME 11135.7 LOAD: AVG 0.118106 MAX 0.22429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: TIME 11135.7 LOAD: AVG 0.118106 MAX 0.22429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 11135.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11135.7 PRESSURE: 3716400 -0.853901 176.412 -3.35183 176.412 16.183 -19.4477 -3.35266 -19.4476 -91.5237 GPRESSURE: 3716400 18.6462 201.697 5.01924 138.211 41.1511 15.082 16.6478 -99.1862 -38.65 PRESSAVG: 3716400 3.64114 5.17102 4.12303 5.17102 -52.6145 -11.2579 4.12296 -11.2579 87.9035 GPRESSAVG: 3716400 5.49959 4.50485 3.60609 6.03266 -53.6636 -11.1674 4.92786 -10.7781 86.7699 TIMING: 3716400 CPU: 11132.6, 0.00312761/step Wall: 11132.6, 0.00312761/step, 1.11517 hours remaining, 206.375000 MB of memory in use. ENERGY: 3716400 756.7511 2157.0720 1938.4968 108.8284 -206046.0987 17740.4931 0.0000 0.0000 34142.7540 -149201.7033 298.1772 -183344.4574 -149108.1361 299.6278 -25.3982 7.0491 557941.9212 12.9767 12.8686 PRESSURE: 3716600 50.5465 4.43461 62.0191 4.43382 -11.0409 -222.048 62.0193 -222.048 166.278 GPRESSURE: 3716600 57.1996 16.5343 74.6517 -59.6798 51.3804 -183.254 36.9432 -187.653 200.435 PRESSAVG: 3716600 -16.0347 -74.1934 21.439 -74.1934 1.69976 -17.5628 21.4391 -17.5629 12.4466 GPRESSAVG: 3716600 -16.8894 -72.0215 19.8468 -74.6099 0.823474 -18.9555 21.4928 -16.7263 13.9933 TIMING: 3716600 CPU: 11133.2, 0.00304982/step Wall: 11133.2, 0.00304982/step, 1.08726 hours remaining, 206.375000 MB of memory in use. ENERGY: 3716600 740.1370 2083.7978 1932.5600 110.6789 -206509.5696 18074.0990 0.0000 0.0000 34438.2505 -149130.0464 300.7578 -183568.2969 -149038.1475 299.1776 68.5946 103.0049 557938.3961 -0.6294 -0.6908 PRESSURE: 3716800 43.0872 -27.7617 -38.2627 -27.7598 136.132 157.425 -38.2625 157.425 98.1619 GPRESSURE: 3716800 115.949 -20.8106 -121.577 -90.9358 89.8342 210.523 -41.4534 143.391 172.119 PRESSAVG: 3716800 19.0416 -6.57908 -7.56913 -6.57913 -61.6294 -19.6623 -7.56908 -19.6623 48.3784 GPRESSAVG: 3716800 20.856 -8.74788 -7.08052 -7.78531 -61.7217 -18.538 -6.98436 -17.2476 46.4512 TIMING: 3716800 CPU: 11133.8, 0.00305146/step Wall: 11133.8, 0.00305146/step, 1.08767 hours remaining, 206.375000 MB of memory in use. ENERGY: 3716800 758.3016 2145.6087 1902.0997 115.8175 -206142.5004 17881.1223 0.0000 0.0000 34200.5031 -149139.0474 298.6815 -183339.5506 -149044.2454 298.9875 92.4603 125.9676 558399.6796 1.9302 1.8618 PRESSURE: 3717000 -75.1708 -55.917 15.1192 -55.9175 51.2749 28.0367 15.1191 28.0357 -210.385 GPRESSURE: 3717000 -23.146 -80.0911 -6.85218 -7.75223 69.7235 24.3148 56.702 75.4718 -171.282 PRESSAVG: 3717000 50.8771 68.6572 12.1245 68.6572 -51.9565 -0.170155 12.1246 -0.170162 -7.79436 GPRESSAVG: 3717000 49.7413 69.2116 12.5462 70.4087 -52.1502 -0.786518 11.9844 -1.96068 -6.13081 TIMING: 3717000 CPU: 11134.4, 0.00304203/step Wall: 11134.4, 0.00304203/step, 1.08415 hours remaining, 206.375000 MB of memory in use. ENERGY: 3717000 758.2363 2136.8350 1959.5399 114.1272 -206086.2013 17709.4183 0.0000 0.0000 34264.7551 -149143.2896 299.2426 -183408.0447 -149045.7483 299.5524 -78.0936 -41.5683 558451.3812 -2.9579 -2.8466 PRESSURE: 3717200 49.722 75.2918 -159.465 75.292 13.4442 -134.194 -159.467 -134.193 -255.853 GPRESSURE: 3717200 95.5674 155.6 -226.181 36.998 31.4426 -95.4643 -113.445 -80.6323 -220.681 PRESSAVG: 3717200 43.0898 4.55071 -23.8359 4.55069 -55.2136 43.2787 -23.836 43.2788 -26.7065 GPRESSAVG: 3717200 42.9924 4.59368 -23.8214 4.17009 -54.5171 43.708 -22.5629 43.605 -27.1762 TIMING: 3717200 CPU: 11135, 0.00303168/step Wall: 11135, 0.00303168/step, 1.08029 hours remaining, 206.375000 MB of memory in use. ENERGY: 3717200 755.9561 2084.3818 1947.3192 109.6153 -206207.6416 17840.1921 0.0000 0.0000 34211.3942 -149258.7829 298.7766 -183470.1771 -149161.7057 299.3266 -64.2290 -31.2237 558656.2214 -12.9434 -12.9003 PRESSURE: 3717400 -59.2582 -9.87283 -100.411 -9.87262 46.657 77.9069 -100.41 77.9068 136.705 GPRESSURE: 3717400 -24.1682 -66.9857 -84.2259 -39.6267 60.9751 143.256 -107.52 130.506 185.209 PRESSAVG: 3717400 33.0221 44.7104 -23.5279 44.7104 -91.5202 -8.75079 -23.5279 -8.7508 60.4448 GPRESSAVG: 3717400 33.1735 46.2275 -25.4651 44.7346 -91.6586 -8.71224 -22.4809 -8.07106 60.945 TIMING: 3717400 CPU: 11135.6, 0.00302279/step Wall: 11135.6, 0.00302279/step, 1.07695 hours remaining, 206.375000 MB of memory in use. ENERGY: 3717400 730.8991 2145.2020 1932.2091 131.2901 -206296.5675 17881.3348 0.0000 0.0000 34222.0873 -149253.5451 298.8700 -183475.6324 -149163.2800 299.8182 41.3680 74.0053 557075.5279 0.6489 0.8200 PRESSURE: 3717600 100.038 -27.131 -38.308 -27.1306 -3.88218 -47.8746 -38.3069 -47.8749 -1.71105 GPRESSURE: 3717600 108.603 -28.1989 0.167347 4.33925 90.6153 -107.665 -73.6175 -38.0445 -6.73677 PRESSAVG: 3717600 23.2722 20.243 -13.1591 20.243 19.449 -5.71028 -13.159 -5.71026 -15.051 GPRESSAVG: 3717600 23.0483 18.9933 -12.8282 19.9074 20.7278 -6.61146 -15.7568 -7.01597 -16.5939 TIMING: 3717600 CPU: 11136.2, 0.00301622/step Wall: 11136.2, 0.00301622/step, 1.07444 hours remaining, 206.375000 MB of memory in use. ENERGY: 3717600 744.0372 2136.3954 1912.1659 109.0971 -206399.8403 17926.2657 0.0000 0.0000 34375.2907 -149196.5883 300.2080 -183571.8790 -149095.7024 299.6165 31.4817 64.1604 557164.2987 9.2234 9.0608 PRESSURE: 3717800 54.3612 84.2803 -170.527 84.2789 207.89 17.9821 -170.527 17.9822 -181.789 GPRESSURE: 3717800 13.8521 141.741 -102.115 -31.2337 227.659 -2.24839 -104.784 58.5994 -69.0301 PRESSAVG: 3717800 65.1098 -10.071 -25.5612 -10.0711 -7.65598 -22.5789 -25.5612 -22.5789 13.725 GPRESSAVG: 3717800 65.8736 -9.70178 -23.4059 -12.372 -8.71297 -23.1444 -26.1526 -21.303 14.2819 TIMING: 3717800 CPU: 11136.8, 0.0030508/step Wall: 11136.8, 0.0030508/step, 1.08659 hours remaining, 206.375000 MB of memory in use. ENERGY: 3717800 756.2876 2122.1017 1968.8496 121.8130 -206455.2435 17860.1738 0.0000 0.0000 34313.6144 -149312.4035 299.6693 -183626.0178 -149223.4611 299.4363 26.8208 57.4937 557792.2380 23.7263 23.8142 PRESSURE: 3718000 -24.9773 22.7954 189.276 22.7949 -257.895 40.9135 189.275 40.9125 -46.7374 GPRESSURE: 3718000 37.1093 -59.8717 190.519 -29.5246 -271.3 100.446 204.933 -14.1857 2.56378 PRESSAVG: 3718000 52.4709 14.0409 -10.0692 14.0409 -37.6671 35.4137 -10.0692 35.4137 -6.21322 GPRESSAVG: 3718000 53.6713 16.5093 -12.3019 14.5782 -38.9834 38.0852 -8.38826 32.7124 -5.70599 TIMING: 3718000 CPU: 11137.5, 0.00304706/step Wall: 11137.5, 0.00304706/step, 1.08509 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: 3718000 739.7769 2149.9577 1926.0847 115.7864 -206015.5684 17590.2490 0.0000 0.0000 34365.8564 -149127.8572 300.1256 -183493.7137 -149027.5339 299.2731 -109.8697 -77.2091 558387.2388 2.8635 2.9940 PRESSURE: 3718200 -101.435 -2.0161 -57.4358 -2.01557 -147.292 -36.6409 -57.4364 -36.6417 -304.362 GPRESSURE: 3718200 -78.5385 -62.9676 -138.137 62.5152 -94.1829 42.9949 -45.4617 -133.61 -268.787 PRESSAVG: 3718200 67.7125 6.63683 25.2308 6.63678 -46.5417 -12.7619 25.2309 -12.762 -71.4845 GPRESSAVG: 3718200 66.936 4.21469 25.1823 7.60385 -44.7801 -13.4339 25.7352 -11.809 -72.4221 TIMING: 3718200 CPU: 11138.1, 0.00306801/step Wall: 11138.1, 0.00306801/step, 1.09238 hours remaining, 206.375000 MB of memory in use. ENERGY: 3718200 762.3264 2050.9848 1968.4878 122.0479 -205871.0064 17570.8360 0.0000 0.0000 34220.8447 -149175.4787 298.8591 -183396.3235 -149069.6596 299.6532 -184.3631 -147.1694 558965.9741 -16.7712 -16.7554 PRESSURE: 3718400 -368.379 70.2253 160.785 70.2257 -52.3892 -16.5299 160.787 -16.5296 -85.3347 GPRESSURE: 3718400 -296.709 56.6289 186.798 39.6849 -4.78199 0.440092 202.629 -62.3313 -117.81 PRESSAVG: 3718400 -30.1142 -10.9304 -6.64976 -10.9304 27.9751 -31.1616 -6.64975 -31.1615 -2.9103 GPRESSAVG: 3718400 -29.6308 -9.94972 -5.56343 -12.1526 26.9222 -32.5404 -7.68492 -29.8169 -2.02718 TIMING: 3718400 CPU: 11138.7, 0.00309522/step Wall: 11138.7, 0.00309522/step, 1.1019 hours remaining, 206.375000 MB of memory in use. ENERGY: 3718400 771.7622 2112.5429 1944.3697 111.8845 -205997.0698 17668.9052 0.0000 0.0000 34226.9534 -149160.6519 298.9125 -183387.6053 -149064.5741 299.1749 -168.7009 -139.7669 558678.6870 -1.6832 -1.5786 PRESSURE: 3718600 -163.655 -68.7506 67.5336 -68.7509 20.482 -64.6268 67.5329 -64.6262 166.891 GPRESSURE: 3718600 -144.956 -172.684 6.23079 -44.7848 45.7538 -49.1438 57.0667 -80.1954 224.939 PRESSAVG: 3718600 5.98983 -97.7325 46.9906 -97.7325 -2.30518 4.85197 46.9907 4.85202 2.62153 GPRESSAVG: 3718600 6.12838 -100.888 46.0873 -95.2965 -2.59554 5.0963 48.573 3.99207 2.58309 TIMING: 3718600 CPU: 11139.3, 0.00309744/step Wall: 11139.3, 0.00309744/step, 1.10252 hours remaining, 206.375000 MB of memory in use. ENERGY: 3718600 746.5234 2077.3706 1949.6045 107.7291 -205837.9726 17550.6216 0.0000 0.0000 34191.2707 -149214.8527 298.6009 -183406.1235 -149118.1263 298.6545 7.9059 41.9121 557825.2886 2.1021 2.0386 PRESSURE: 3718800 70.7606 -113.537 -29.0447 -113.537 -58.184 -143.657 -29.0449 -143.657 224.88 GPRESSURE: 3718800 132.441 -73.655 8.66657 -153.056 -48.006 -97.5447 -23.7052 -144.072 244.497 PRESSAVG: 3718800 -37.059 -27.803 36.7889 -27.8028 -2.64772 19.4654 36.7887 19.4654 20.2109 GPRESSAVG: 3718800 -37.437 -24.9352 38.0548 -29.4978 -2.96693 20.7046 36.9901 16.7072 21.1234 TIMING: 3718800 CPU: 11139.9, 0.00307523/step Wall: 11139.9, 0.00307523/step, 1.09444 hours remaining, 206.375000 MB of memory in use. ENERGY: 3718800 764.0446 2082.9971 1960.2437 120.9098 -206716.7656 18201.1030 0.0000 0.0000 34240.6383 -149346.8292 299.0320 -183587.4676 -149245.8419 298.8650 79.1522 109.6442 556833.9395 -6.4986 -6.4268 PRESSURE: 3719000 145.296 -131.035 162.161 -131.036 -89.746 159.694 162.161 159.695 57.2641 GPRESSURE: 3719000 201.888 -86.4396 106.253 -214.215 -38.9649 138.042 163.363 151.791 47.8223 PRESSAVG: 3719000 91.257 -33.5103 17.6956 -33.5103 -63.7899 -1.19929 17.6956 -1.19933 -15.0541 GPRESSAVG: 3719000 90.4712 -34.406 17.6567 -31.9846 -63.3815 -5.05961 18.1336 1.90838 -14.5033 TIMING: 3719000 CPU: 11140.5, 0.00305402/step Wall: 11140.5, 0.00305402/step, 1.08672 hours remaining, 206.375000 MB of memory in use. ENERGY: 3719000 756.8230 2125.5501 1948.6723 114.6319 -206459.6242 18059.3772 0.0000 0.0000 34352.2954 -149102.2744 300.0071 -183454.5698 -149002.1612 299.2289 37.6046 70.2485 559121.2339 4.1377 4.1955 PRESSURE: 3719200 48.2353 99.4047 113.916 99.4045 93.8433 11.3058 113.917 11.3057 -168.196 GPRESSURE: 3719200 76.747 36.3848 178.699 144.246 113.99 -17.5831 114.771 84.6587 -126.844 PRESSAVG: 3719200 3.75913 -54.6447 -50.9699 -54.6447 1.11233 2.50409 -50.9699 2.5041 8.52901 GPRESSAVG: 3719200 5.01987 -53.2767 -50.039 -55.1784 1.09923 3.48273 -53.5477 2.90178 7.97355 TIMING: 3719200 CPU: 11141.2, 0.00308711/step Wall: 11141.2, 0.00308711/step, 1.09832 hours remaining, 206.375000 MB of memory in use. ENERGY: 3719200 770.1826 2105.0732 1943.3746 99.4924 -206133.2788 17835.6992 0.0000 0.0000 34197.8382 -149181.6186 298.6582 -183379.4568 -149083.4675 299.8273 -8.7059 21.2977 557613.1471 4.4668 4.6975 PRESSURE: 3719400 -62.39 -118.107 41.8637 -118.108 -67.6116 -20.5564 41.8629 -20.5561 -227.132 GPRESSURE: 3719400 -59.3322 -186.227 7.10843 -79.3596 -37.9537 48.3615 38.9487 -147.895 -166.294 PRESSAVG: 3719400 -38.4408 -42.8049 -6.94097 -42.8049 48.7989 -2.13275 -6.94096 -2.13277 -13.3564 GPRESSAVG: 3719400 -37.6633 -44.1233 -7.40717 -41.3495 48.4582 0.0258508 -6.47872 -2.16355 -14.0784 TIMING: 3719400 CPU: 11141.8, 0.00305844/step Wall: 11141.8, 0.00305844/step, 1.08795 hours remaining, 206.375000 MB of memory in use. ENERGY: 3719400 760.6954 2070.9234 1949.5891 117.2759 -206158.8674 17563.6227 0.0000 0.0000 34399.7789 -149296.9821 300.4218 -183696.7609 -149200.1308 299.2198 -119.0447 -87.8601 556380.9384 -0.9994 -1.0945 PRESSURE: 3719600 -202.377 -21.089 -193.325 -21.0897 1.81136 -124.866 -193.326 -124.867 -157.852 GPRESSURE: 3719600 -150.056 -61.528 -134.187 54.0544 17.998 -68.7305 -231.233 -110.671 -137.768 PRESSAVG: 3719600 -33.3047 -25.4948 -53.4501 -25.4948 -15.8263 77.0528 -53.4501 77.0528 58.6303 GPRESSAVG: 3719600 -33.5342 -25.5323 -53.1117 -25.9701 -16.4251 76.7657 -52.1191 76.0234 59.0995 TIMING: 3719600 CPU: 11142.4, 0.00302724/step Wall: 11142.4, 0.00302724/step, 1.07669 hours remaining, 206.375000 MB of memory in use. ENERGY: 3719600 744.4190 2101.6379 1974.9815 117.6842 -205873.0398 17529.9831 0.0000 0.0000 34292.9349 -149111.3991 299.4887 -183404.3340 -149009.2005 299.5532 -119.4726 -89.9422 556906.2473 3.1665 3.0467 PRESSURE: 3719800 -176.234 143.066 -47.0695 143.065 10.0378 -15.697 -47.0693 -15.6981 -145.626 GPRESSURE: 3719800 -105.421 128.009 -43.3274 113.814 42.5022 -67.4887 0.543005 -48.8547 -151.193 PRESSAVG: 3719800 -75.97 11.1615 -29.3645 11.1615 31.8534 39.3398 -29.3643 39.3397 78.5596 GPRESSAVG: 3719800 -76.7424 11.3893 -30.7522 9.5895 32.1814 38.5024 -26.8544 39.6968 79.2185 TIMING: 3719800 CPU: 11143, 0.00301961/step Wall: 11143, 0.00301961/step, 1.07381 hours remaining, 206.375000 MB of memory in use. ENERGY: 3719800 784.6357 2065.3248 1934.0900 121.5971 -205949.5353 17611.1865 0.0000 0.0000 34300.5541 -149132.1470 299.5553 -183432.7012 -149034.2122 299.7207 -103.9407 -71.3709 558176.5057 11.4810 11.5525 PRESSURE: 3720000 145.107 114.762 14.3929 114.763 91.2139 -5.76911 14.3919 -5.76805 -112.169 GPRESSURE: 3720000 205.762 136.334 -13.9394 34.1805 90.3114 -56.2443 28.6813 9.56728 -72.3088 PRESSAVG: 3720000 -66.4883 -14.2957 -45.7277 -14.2956 31.1795 2.58293 -45.7277 2.58302 -2.84648 GPRESSAVG: 3720000 -67.0562 -14.8638 -45.0533 -14.3956 31.8039 1.81817 -48.3395 3.11246 -2.78138 TIMING: 3720000 CPU: 11143.6, 0.00304766/step Wall: 11143.6, 0.00304766/step, 1.08361 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: 3720000 746.1268 2122.1701 1943.1521 112.8574 -205945.7315 17822.0108 0.0000 0.0000 34146.0085 -149053.4058 298.2056 -183199.4143 -148955.6981 299.1093 41.3840 74.5881 558522.3671 -12.7184 -12.6779 PRESSURE: 3720200 -197.54 -174.546 -148.505 -174.546 269.41 5.54291 -148.505 5.54113 -51.5555 GPRESSURE: 3720200 -182.816 -124.143 1.86995 -173.665 284.158 47.0399 -175.032 24.4142 7.79086 PRESSAVG: 3720200 -35.4154 21.3942 -17.1325 21.3942 27.9837 -10.7075 -17.1325 -10.7075 16.3735 GPRESSAVG: 3720200 -34.2024 24.0525 -15.9356 20.7275 27.8711 -10.4483 -17.5081 -10.0356 15.261 TIMING: 3720200 CPU: 11144.2, 0.00301027/step Wall: 11144.2, 0.00301027/step, 1.07015 hours remaining, 206.375000 MB of memory in use. ENERGY: 3720200 728.4006 2065.7489 1899.7202 110.6263 -205994.9529 17838.1074 0.0000 0.0000 34286.4024 -149065.9469 299.4317 -183352.3494 -148965.1076 299.2111 6.7713 36.3777 558177.3845 2.9806 2.9765 LDB: ============= START OF LOAD BALANCING ============== 11147.6 LDB: ============== END OF LOAD BALANCING =============== 11147.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11147.6 LDB: ============= START OF LOAD BALANCING ============== 11147.9 LDB: Largest compute 4820 load 0.023450 is 19.8% of average load 0.118149 LDB: Average compute 0.001713 is 1.4% of average load 0.118149 LDB: TIME 11147.9 LOAD: AVG 0.118149 MAX 0.221288 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.352 MB LDB: TIME 11147.9 LOAD: AVG 0.118149 MAX 0.221288 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.355 MB LDB: TIME 11147.9 LOAD: AVG 0.118149 MAX 0.221288 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.355 MB LDB: ============== END OF LOAD BALANCING =============== 11147.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11147.9 PRESSURE: 3720400 -204.767 -96.9509 3.37519 -96.9516 -55.7324 29.8367 3.37464 29.8373 -37.9082 GPRESSURE: 3720400 -166.126 -71.1302 -12.8196 -127.297 -46.5904 -11.1075 -24.9166 71.5532 7.36694 PRESSAVG: 3720400 5.65225 -68.7025 48.7829 -68.7025 -6.39483 -5.83003 48.7829 -5.83008 20.9019 GPRESSAVG: 3720400 4.27815 -70.7089 48.4519 -64.221 -6.90565 -3.87634 48.895 -6.1776 22.4355 TIMING: 3720400 CPU: 11144.8, 0.00308921/step Wall: 11144.8, 0.00308921/step, 1.09804 hours remaining, 205.140625 MB of memory in use. ENERGY: 3720400 768.3396 2115.1190 1944.8648 106.5712 -205913.3512 17470.9021 0.0000 0.0000 34382.3040 -149125.2506 300.2692 -183507.5545 -149031.1709 299.3831 -99.4693 -68.4498 557048.2673 6.7198 6.6027 PRESSURE: 3720600 9.31117 -216.661 225.101 -216.661 -25.2426 -21.6353 225.102 -21.6353 -299.769 GPRESSURE: 3720600 70.9633 -192.036 280.903 -257.419 -55.9546 80.1881 149.309 -45.2652 -245.595 PRESSAVG: 3720600 37.4032 9.68814 -12.5155 9.68808 -5.9614 -3.3342 -12.5155 -3.33423 -46.2311 GPRESSAVG: 3720600 37.3127 10.4128 -12.9977 6.90288 -5.01138 -3.52952 -10.3969 -4.86462 -47.5225 TIMING: 3720600 CPU: 11145.4, 0.00304684/step Wall: 11145.4, 0.00304684/step, 1.08281 hours remaining, 205.601562 MB of memory in use. ENERGY: 3720600 753.3238 2105.1707 1932.4910 116.1250 -205915.1210 17665.3415 0.0000 0.0000 34209.3452 -149133.3237 298.7587 -183342.6689 -149039.5783 299.7771 -105.2333 -76.8621 556985.4867 -4.9298 -5.0737 PRESSURE: 3720800 -8.34747 153.523 -91.6952 153.523 -211.553 26.9238 -91.6963 26.9246 -142.446 GPRESSURE: 3720800 -7.48346 164.837 -143.732 155.561 -195.728 48.9822 -109.359 -21.9417 -62.5095 PRESSAVG: 3720800 43.5525 50.1792 -6.0403 50.1792 -6.97806 -8.88976 -6.04032 -8.88973 -37.146 GPRESSAVG: 3720800 44.7811 49.3294 -5.18676 50.8165 -8.15225 -7.3184 -5.93929 -10.0104 -37.2565 TIMING: 3720800 CPU: 11146, 0.00303825/step Wall: 11146, 0.00303825/step, 1.07959 hours remaining, 205.601562 MB of memory in use. ENERGY: 3720800 737.4309 2143.0284 1930.3261 120.1992 -206178.5733 17777.7073 0.0000 0.0000 34376.9264 -149092.9550 300.2222 -183469.8814 -148994.1457 300.0294 -120.7822 -88.5736 557835.7892 -0.1905 -0.2092 PRESSURE: 3721000 -27.5497 -70.6798 -15.4765 -70.6813 -121.235 -128.234 -15.476 -128.232 -175.188 GPRESSURE: 3721000 24.8728 -87.4683 -70.194 -72.9397 -42.0661 -81.96 22.4129 -155.535 -197.127 PRESSAVG: 3721000 11.1927 29.9739 -18.7932 29.9739 -15.5767 62.5298 -18.7932 62.5298 9.56381 GPRESSAVG: 3721000 11.2193 29.5573 -18.2982 29.8931 -15.3017 60.4521 -21.6276 66.2866 10.0738 TIMING: 3721000 CPU: 11146.6, 0.00305558/step Wall: 11146.6, 0.00305558/step, 1.08558 hours remaining, 205.601562 MB of memory in use. ENERGY: 3721000 760.7852 2123.4790 1940.5445 108.5747 -205646.7436 17565.7130 0.0000 0.0000 34146.7247 -149000.9225 298.2118 -183147.6473 -148905.2868 299.7781 -107.9909 -71.4400 558666.5083 1.7266 1.9971 PRESSURE: 3721200 -208.114 -59.9917 30.608 -59.9917 -47.3171 -108.983 30.6076 -108.982 -197.425 GPRESSURE: 3721200 -188.14 -109.2 55.7078 39.9024 39.7085 -142.153 39.2441 -128.881 -209.506 PRESSAVG: 3721200 28.6796 -54.6257 22.5154 -54.6257 8.34206 33.2435 22.5155 33.2435 -17.5531 GPRESSAVG: 3721200 27.1894 -51.1229 21.3576 -55.6686 8.6691 32.9944 23.1718 29.9937 -17.0012 TIMING: 3721200 CPU: 11147.2, 0.00304961/step Wall: 11147.2, 0.00304961/step, 1.08329 hours remaining, 205.601562 MB of memory in use. ENERGY: 3721200 758.3248 2079.2219 1945.8762 109.8635 -206098.6550 17667.9957 0.0000 0.0000 34549.1091 -148988.2638 301.7260 -183537.3729 -148886.1397 299.6270 -150.9519 -119.3123 558632.8078 6.4895 6.2858 PRESSURE: 3721400 210.917 35.4679 -108.392 35.4676 -80.7954 -95.1584 -108.392 -95.1595 -125.837 GPRESSURE: 3721400 229.48 26.3632 -115.8 -13.0669 -84.955 -136.136 -34.2412 -16.4363 -49.2289 PRESSAVG: 3721400 -47.1856 -74.5157 -25.2952 -74.5157 19.6676 -16.7151 -25.2952 -16.7151 9.15311 GPRESSAVG: 3721400 -46.0715 -76.4664 -25.161 -74.4094 19.1849 -17.4019 -23.5504 -15.4256 8.33962 TIMING: 3721400 CPU: 11147.9, 0.00306875/step Wall: 11147.9, 0.00306875/step, 1.08992 hours remaining, 205.601562 MB of memory in use. ENERGY: 3721400 742.8107 2184.2802 1936.2402 107.1178 -205939.7527 17666.5904 0.0000 0.0000 34406.3638 -148896.3497 300.4793 -183302.7135 -148798.6893 299.8485 1.4282 31.7654 557190.9555 -6.1216 -6.1823 PRESSURE: 3721600 -78.6398 -37.6274 -94.8349 -37.6263 -165.184 90.9239 -94.8365 90.9254 -36.8584 GPRESSURE: 3721600 -45.2287 -80.9562 -102.955 32.6965 -120.785 38.3815 -151.517 177.591 -33.0418 PRESSAVG: 3721600 -0.262375 7.30235 -11.3204 7.30235 25.2845 -11.4142 -11.3205 -11.4141 -4.05698 GPRESSAVG: 3721600 -0.394387 7.49068 -14.102 8.56782 26.7563 -11.3959 -10.0285 -11.4903 -5.60949 TIMING: 3721600 CPU: 11148.5, 0.00304286/step Wall: 11148.5, 0.00304286/step, 1.08055 hours remaining, 205.601562 MB of memory in use. ENERGY: 3721600 755.1451 2116.6353 1939.0587 98.1510 -206000.8710 17853.1610 0.0000 0.0000 34324.4572 -148914.2627 299.7640 -183238.7199 -148816.5692 300.3910 -93.5607 -66.3518 559382.6399 6.9884 6.9175 PRESSURE: 3721800 169.511 -6.5642 34.8185 -6.56366 48.1561 84.7552 34.8179 84.7562 83.7463 GPRESSURE: 3721800 192.428 -65.0512 -14.1299 86.5592 86.5416 54.165 2.91481 29.0073 127.003 PRESSAVG: 3721800 -31.0346 -47.2757 -18.4791 -47.2758 12.4842 -5.93811 -18.4792 -5.93811 22.2763 GPRESSAVG: 3721800 -30.7995 -47.3545 -15.314 -46.4257 11.519 -5.22739 -19.9436 -6.42302 22.4869 TIMING: 3721800 CPU: 11149.1, 0.00307511/step Wall: 11149.1, 0.00307511/step, 1.09183 hours remaining, 205.601562 MB of memory in use. ENERGY: 3721800 763.2006 2132.6924 1913.8229 112.4777 -206475.4053 18123.2708 0.0000 0.0000 34442.2191 -148987.7218 300.7925 -183429.9409 -148890.5936 300.4391 100.4711 135.3244 560020.1005 1.2420 1.0688 PRESSURE: 3722000 174.062 -168.478 -166.159 -168.479 -103.226 -31.4479 -166.159 -31.4465 187.073 GPRESSURE: 3722000 150.383 -160.478 -236.276 -238.97 12.9974 -79.7059 -199.988 -62.0323 186.047 PRESSAVG: 3722000 25.3505 -37.038 -18.4167 -37.038 -9.38463 -33.3702 -18.4166 -33.3703 -58.6064 GPRESSAVG: 3722000 24.7244 -37.2353 -16.7411 -39.8156 -9.71033 -31.5439 -20.8042 -33.4347 -57.5783 TIMING: 3722000 CPU: 11149.7, 0.00304741/step Wall: 11149.7, 0.00304741/step, 1.08183 hours remaining, 205.707031 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: 3722000 734.3585 2117.6718 1944.0773 113.3705 -206139.6859 17939.9933 0.0000 0.0000 34306.7194 -148983.4951 299.6091 -183290.2145 -148888.1226 300.2933 85.9694 116.4758 557928.3334 -14.2135 -14.1881 PRESSURE: 3722200 -81.8356 -75.7852 -100.896 -75.7856 40.1938 -178.966 -100.896 -178.968 -273.533 GPRESSURE: 3722200 -95.8681 -73.2269 -115.938 63.6856 89.6395 -60.7055 -93.781 -207.418 -209.177 PRESSAVG: 3722200 3.90563 20.3643 -20.8412 20.3642 -38.2563 4.45888 -20.8414 4.45885 18.9944 GPRESSAVG: 3722200 4.60464 19.5977 -23.6753 23.0471 -38.1973 3.91218 -18.0728 4.30418 17.9791 TIMING: 3722200 CPU: 11150.3, 0.00305045/step Wall: 11150.3, 0.00305045/step, 1.08274 hours remaining, 205.707031 MB of memory in use. ENERGY: 3722200 767.3880 2087.6816 1940.5517 117.7952 -206070.1804 17811.5395 0.0000 0.0000 34336.4652 -149008.7593 299.8689 -183345.2245 -148916.0105 299.9039 -105.0583 -71.8017 559271.3932 -5.1188 -5.2045 PRESSURE: 3722400 34.4923 -66.3384 -76.2717 -66.3383 145.782 -51.9508 -76.2715 -51.9506 115.083 GPRESSURE: 3722400 42.5282 4.65753 -60.0208 -138.45 210.01 -63.7529 -106.858 25.8876 133.366 PRESSAVG: 3722400 -69.8569 -28.2654 22.9974 -28.2655 5.10298 48.9795 22.9974 48.9795 51.582 GPRESSAVG: 3722400 -70.6073 -28.9344 24.8015 -30.1731 5.30555 46.5254 23.1438 51.8022 52.1552 TIMING: 3722400 CPU: 11150.9, 0.00302882/step Wall: 11150.9, 0.00302882/step, 1.07489 hours remaining, 205.707031 MB of memory in use. ENERGY: 3722400 775.7765 2068.4611 1959.1121 114.6472 -206363.3382 18110.8329 0.0000 0.0000 34263.3730 -149071.1353 299.2306 -183334.5083 -148973.6583 299.9549 98.4521 128.6348 557964.4611 -4.3906 -4.3822 PRESSURE: 3722600 204.989 -83.3268 -97.6154 -83.3283 380.56 -163.559 -97.6154 -163.56 254.434 GPRESSURE: 3722600 212.435 -61.4399 -120.353 -117.927 441.928 -46.9254 -107.646 -242.243 273.416 PRESSAVG: 3722600 45.273 0.978512 -44.1999 0.978474 -55.6769 8.5411 -44.2 8.54111 26.906 GPRESSAVG: 3722600 45.6611 2.02469 -46.4783 1.72739 -55.8656 8.92889 -45.9383 4.59936 27.1734 TIMING: 3722600 CPU: 11151.5, 0.00305464/step Wall: 11151.5, 0.00305464/step, 1.08389 hours remaining, 205.707031 MB of memory in use. ENERGY: 3722600 743.0118 2091.2636 1951.9185 100.0369 -206752.6526 18292.2826 0.0000 0.0000 34454.0341 -149120.1051 300.8956 -183574.1392 -149017.9226 299.7573 279.9942 309.2600 557400.5073 5.5007 5.6563 PRESSURE: 3722800 -96.535 -128.161 -3.37497 -128.161 -110.45 42.9184 -3.37411 42.9198 -340.181 GPRESSURE: 3722800 -104.59 -134.487 -18.6528 -203.802 -107.48 99.354 -61.6168 13.4144 -249.223 PRESSAVG: 3722800 -64.4872 47.8477 -44.8442 47.8476 14.0138 38.3322 -44.8441 38.3321 50.0885 GPRESSAVG: 3722800 -64.6041 46.5952 -43.809 48.0328 13.4429 37.2682 -41.2121 40.1159 50.7361 TIMING: 3722800 CPU: 11152.1, 0.00302452/step Wall: 11152.1, 0.00302452/step, 1.07303 hours remaining, 205.707031 MB of memory in use. ENERGY: 3722800 734.3778 2158.0943 1951.7580 105.2491 -206227.6968 17852.0735 0.0000 0.0000 34174.6368 -149251.5073 298.4556 -183426.1441 -149156.9396 299.4505 -182.3889 -153.7645 559031.5607 -0.1283 -0.1417 PRESSURE: 3723000 270.019 -163.658 54.1142 -163.659 -45.3358 103.532 54.1164 103.533 -181.907 GPRESSURE: 3723000 280.539 -62.2509 -13.4576 -233.724 -78.3852 43.9302 130.535 25.0038 -66.3424 PRESSAVG: 3723000 43.317 32.3864 -21.8711 32.3863 -6.42205 9.69696 -21.8711 9.69692 -41.0837 GPRESSAVG: 3723000 43.6035 33.3612 -23.0126 32.0877 -5.75603 12.0633 -23.108 10.348 -41.9137 TIMING: 3723000 CPU: 11152.7, 0.00301259/step Wall: 11152.7, 0.00301259/step, 1.06863 hours remaining, 205.707031 MB of memory in use. ENERGY: 3723000 763.5502 2204.8170 1931.6334 111.2459 -206239.1181 17883.3278 0.0000 0.0000 34249.6074 -149094.9364 299.1103 -183344.5438 -149000.4197 299.3321 14.2589 45.2705 559888.4170 -1.3963 -1.3554 PRESSURE: 3723200 190.056 -156.531 -85.6061 -156.53 -81.6803 135.633 -85.6053 135.632 -185.425 GPRESSURE: 3723200 224.899 -217.118 -116.326 -117.606 -49.9338 13.4486 -105.564 219.257 -160.343 PRESSAVG: 3723200 3.57257 27.272 -40.1736 27.2719 -4.04617 33.7648 -40.1736 33.7646 6.43997 GPRESSAVG: 3723200 3.19571 26.8056 -37.5191 28.4082 -3.95516 31.2932 -42.4661 33.5449 6.05119 TIMING: 3723200 CPU: 11153.3, 0.00300316/step Wall: 11153.3, 0.00300316/step, 1.06512 hours remaining, 205.707031 MB of memory in use. ENERGY: 3723200 766.7888 2139.5641 1912.9201 119.4613 -206385.3790 18099.3010 0.0000 0.0000 34388.2385 -148959.1051 300.3210 -183347.3437 -148859.9635 300.1727 -25.6832 4.8741 559655.2574 1.9888 1.7639 PRESSURE: 3723400 -346.594 -58.1627 -11.1064 -58.163 -122.726 -140.331 -11.1068 -140.331 -50.2917 GPRESSURE: 3723400 -318.684 -50.3764 -8.76566 -29.6396 -95.5029 -147.902 -91.9003 -191.848 1.41269 PRESSAVG: 3723400 -18.1225 -46.494 -42.2666 -46.494 31.8147 58.7545 -42.2665 58.7546 7.43621 GPRESSAVG: 3723400 -18.0255 -47.0212 -42.8021 -47.0609 32.2828 60.5069 -41.3931 58.5919 6.78915 TIMING: 3723400 CPU: 11153.9, 0.00303742/step Wall: 11153.9, 0.00303742/step, 1.0771 hours remaining, 205.707031 MB of memory in use. ENERGY: 3723400 747.7762 2129.8070 1935.6483 106.3855 -206047.2735 17638.0710 0.0000 0.0000 34400.1884 -149089.3970 300.4254 -183489.5854 -148995.5828 300.3152 -173.2040 -137.5915 558613.3126 7.0428 7.0155 PRESSURE: 3723600 102.831 -135.15 -81.4718 -135.149 141.356 57.807 -81.4708 57.8066 219.446 GPRESSURE: 3723600 92.0944 -130.195 -41.6518 -70.8184 175.224 85.2755 -103.934 92.6542 301.461 PRESSAVG: 3723600 -13.7678 39.0792 -51.3224 39.0792 23.5029 -13.8799 -51.3223 -13.88 -0.31513 GPRESSAVG: 3723600 -14.6509 38.8813 -52.1054 37.9872 23.5464 -12.6496 -51.4211 -15.4466 0.562229 TIMING: 3723600 CPU: 11154.5, 0.00303715/step Wall: 11154.5, 0.00303715/step, 1.07684 hours remaining, 205.707031 MB of memory in use. ENERGY: 3723600 728.4301 2109.3015 1946.0939 120.0214 -206539.9174 18183.0537 0.0000 0.0000 34256.8220 -149196.1949 299.1733 -183453.0168 -149104.5618 299.5562 154.5443 189.5932 558174.4529 3.1400 3.1526 PRESSURE: 3723800 -58.6207 -60.4884 -220.586 -60.4898 -205.376 133.051 -220.585 133.051 -206.108 GPRESSURE: 3723800 -69.4493 -65.3549 -273.799 -92.6398 -144.418 110.733 -155.573 75.9341 -175.498 PRESSAVG: 3723800 27.5486 -11.0659 -28.213 -11.0661 8.62889 42.5497 -28.2129 42.5498 -33.057 GPRESSAVG: 3723800 29.6373 -9.56057 -29.8445 -11.8361 7.78737 41.8221 -27.5055 43.532 -34.2247 TIMING: 3723800 CPU: 11155.2, 0.00305932/step Wall: 11155.2, 0.00305932/step, 1.08453 hours remaining, 205.707031 MB of memory in use. ENERGY: 3723800 767.7186 2161.5665 1916.9796 111.8552 -205923.1085 17582.7166 0.0000 0.0000 34201.8873 -149180.3847 298.6936 -183382.2720 -149081.1780 299.6775 -156.7015 -129.7885 559107.2709 1.0402 1.0667 PRESSURE: 3724000 -81.782 37.374 -108.865 37.3732 -134.062 -26.3 -108.865 -26.3007 129.214 GPRESSURE: 3724000 -7.46247 -47.1738 -143.397 45.9479 -130.536 -15.6253 -56.6727 -77.6108 133.568 PRESSAVG: 3724000 7.48636 -33.9948 5.07004 -33.9949 8.60363 29.9018 5.06992 29.9019 6.78909 GPRESSAVG: 3724000 7.09794 -34.8586 5.79461 -33.3351 8.39826 30.9579 3.22733 29.2435 7.22338 TIMING: 3724000 CPU: 11155.8, 0.00307621/step Wall: 11155.8, 0.00307621/step, 1.09035 hours remaining, 205.789062 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: 3724000 771.6586 2092.8690 1936.5200 102.4853 -205905.6386 17633.2941 0.0000 0.0000 34125.2367 -149243.5747 298.0242 -183368.8114 -149156.1582 298.8416 -28.8767 -1.4767 557783.0189 7.6264 7.5732 PRESSURE: 3724200 -35.5019 -45.8353 197.035 -45.8357 -102.054 41.296 197.036 41.2972 -19.6493 GPRESSURE: 3724200 12.0437 -11.1287 84.603 -49.1191 -37.6263 18.4666 131.713 69.3385 -27.0847 PRESSAVG: 3724200 38.4618 -32.3433 62.8915 -32.3433 37.7621 -16.335 62.8917 -16.3348 -43.3231 GPRESSAVG: 3724200 38.152 -33.2088 63.9646 -31.6705 37.7997 -15.0275 63.7023 -17.3661 -43.1381 TIMING: 3724200 CPU: 11156.4, 0.00306522/step Wall: 11156.4, 0.00306522/step, 1.08628 hours remaining, 205.789062 MB of memory in use. ENERGY: 3724200 725.4185 2092.2225 1934.5936 103.0285 -206061.2821 17796.7342 0.0000 0.0000 34155.4418 -149253.8430 298.2880 -183409.2848 -149154.1398 299.0970 -52.4016 -17.5558 558421.0253 10.9669 10.9379 LDB: ============= START OF LOAD BALANCING ============== 11159.8 LDB: ============== END OF LOAD BALANCING =============== 11159.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11159.8 LDB: ============= START OF LOAD BALANCING ============== 11160.1 LDB: Largest compute 4820 load 0.025007 is 21.1% of average load 0.118238 LDB: Average compute 0.001708 is 1.4% of average load 0.118238 LDB: TIME 11160.1 LOAD: AVG 0.118238 MAX 0.220932 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.703 MB LDB: TIME 11160.1 LOAD: AVG 0.118238 MAX 0.220932 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.703 MB LDB: TIME 11160.1 LOAD: AVG 0.118238 MAX 0.220932 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.703 MB LDB: ============== END OF LOAD BALANCING =============== 11160.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11160.1 PRESSURE: 3724400 40.6057 76.4607 -60.5681 76.4619 -98.8616 127.385 -60.5678 127.384 64.8391 GPRESSURE: 3724400 102.742 63.9894 -37.7081 119.379 -66.354 99.9642 -113.311 86.0684 74.5264 PRESSAVG: 3724400 33.1357 -25.8397 -22.1813 -25.8397 -17.6358 15.3165 -22.1813 15.3166 -35.0265 GPRESSAVG: 3724400 33.701 -23.4711 -21.9321 -25.9158 -17.5604 13.0765 -22.4452 14.852 -36.1335 TIMING: 3724400 CPU: 11157, 0.00310418/step Wall: 11157, 0.00310418/step, 1.09991 hours remaining, 207.613281 MB of memory in use. ENERGY: 3724400 766.8027 2060.2067 1906.7489 132.1776 -205913.8981 17702.9630 0.0000 0.0000 34173.7409 -149171.2582 298.4478 -183344.9991 -149072.1155 299.3533 2.1944 36.9716 557282.5119 -6.5089 -6.6643 PRESSURE: 3724600 -26.5935 -161.932 112.521 -161.933 2.76492 224.426 112.523 224.425 -206.581 GPRESSURE: 3724600 -32.3445 -75.1174 35.1352 -188.246 19.5929 219.65 131.242 213.778 -128.273 PRESSAVG: 3724600 61.9685 -20.8778 18.2237 -20.8779 15.8491 31.9494 18.2238 31.9494 -26.0863 GPRESSAVG: 3724600 60.4996 -22.4387 18.2729 -20.6012 16.0241 33.6101 18.4174 32.7503 -25.049 TIMING: 3724600 CPU: 11157.6, 0.00303651/step Wall: 11157.6, 0.00303651/step, 1.07577 hours remaining, 207.816406 MB of memory in use. ENERGY: 3724600 772.5588 2094.0302 1912.7473 122.8063 -206074.5271 17596.5296 0.0000 0.0000 34287.3409 -149288.5140 299.4399 -183575.8549 -149189.7232 298.7345 -76.8032 -47.0083 558032.7419 17.2438 17.1582 PRESSURE: 3724800 -207.093 141.317 53.4186 141.317 -24.4531 82.1017 53.4189 82.1012 21.3972 GPRESSURE: 3724800 -161.075 122.059 28.5654 154.581 -41.8709 104.119 15.84 46.3981 90.3594 PRESSAVG: 3724800 -0.124523 25.5723 13.0461 25.5723 17.5265 69.2156 13.0463 69.2157 14.1212 GPRESSAVG: 3724800 -0.205767 23.315 12.2563 25.7973 16.7892 69.3243 15.6356 68.6358 14.806 TIMING: 3724800 CPU: 11158.2, 0.00301668/step Wall: 11158.2, 0.00301668/step, 1.06857 hours remaining, 207.816406 MB of memory in use. ENERGY: 3724800 762.0603 2106.1041 1938.6131 120.2662 -206357.4129 17792.8397 0.0000 0.0000 34358.3406 -149279.1890 300.0599 -183637.5296 -149179.4825 299.2695 -70.0498 -37.5289 557477.0436 10.5077 10.4632 PRESSURE: 3725000 33.3288 -59.5129 -21.1577 -59.5137 -137.068 -141.685 -21.1591 -141.686 -103.375 GPRESSURE: 3725000 40.7378 -104.723 -40.7628 -21.4362 -41.8014 -156.098 39.2387 -104.152 -104.057 PRESSAVG: 3725000 23.8443 -6.15232 53.0585 -6.15227 -77.8332 40.1957 53.0584 40.1957 23.9976 GPRESSAVG: 3725000 23.5947 -6.54459 52.9072 -6.09746 -76.8087 41.3133 50.577 40.0965 23.5326 TIMING: 3725000 CPU: 11158.8, 0.00303873/step Wall: 11158.8, 0.00303873/step, 1.07622 hours remaining, 207.816406 MB of memory in use. ENERGY: 3725000 742.7288 2044.8167 1939.1881 107.6050 -206065.8727 17608.5267 0.0000 0.0000 34383.9625 -149239.0449 300.2837 -183623.0074 -149147.6324 299.1190 -69.0380 -35.0402 558195.1174 -9.9971 -9.8938 PRESSURE: 3725200 -129.372 -54.0776 -28.2621 -54.0784 1.82388 -38.6587 -28.262 -38.6588 19.9393 GPRESSURE: 3725200 -95.6369 -10.5747 -23.4875 -83.842 -31.346 -6.62763 -49.6268 -57.1031 99.5222 PRESSAVG: 3725200 22.8844 4.56872 79.0748 4.5687 13.32 6.91421 79.0748 6.91414 -7.35635 GPRESSAVG: 3725200 22.4206 6.65606 78.7327 4.1696 12.7995 6.02916 80.2808 6.43875 -6.87579 TIMING: 3725200 CPU: 11159.4, 0.00301651/step Wall: 11159.4, 0.00301651/step, 1.06818 hours remaining, 207.816406 MB of memory in use. ENERGY: 3725200 740.7349 2091.2924 1931.4964 113.4804 -205876.1567 17779.8791 0.0000 0.0000 34110.0254 -149109.2482 297.8913 -183219.2735 -149012.9121 299.0473 -35.8697 -9.1536 559636.2954 9.6160 9.4481 PRESSURE: 3725400 -128.968 14.0727 -11.9234 14.0729 -134.671 -3.02018 -11.9243 -3.01875 -339.905 GPRESSURE: 3725400 -106.105 13.7728 -9.79997 5.2587 -48.3279 45.3596 64.2204 17.7828 -347.744 PRESSAVG: 3725400 7.85385 48.5014 -8.34554 48.5014 -60.0893 -33.4881 -8.34551 -33.488 40.9316 GPRESSAVG: 3725400 9.01181 47.7425 -6.60725 48.3474 -59.2733 -33.6753 -10.4189 -33.1939 39.1437 TIMING: 3725400 CPU: 11160, 0.00301464/step Wall: 11160, 0.00301464/step, 1.06735 hours remaining, 207.816406 MB of memory in use. ENERGY: 3725400 741.3456 2066.9291 1940.0984 119.2541 -206043.1184 17561.7651 0.0000 0.0000 34117.8223 -149495.9038 297.9594 -183613.7260 -149395.8868 298.1932 -201.1814 -167.3926 557407.8897 -3.7679 -3.7059 PRESSURE: 3725600 -303.991 56.0396 -141.911 56.0403 -78.8244 -91.2138 -141.912 -91.2138 -122.429 GPRESSURE: 3725600 -236.206 23.4549 -115.749 11.1229 -81.0517 -88.5392 -75.9384 -95.9143 -117.095 PRESSAVG: 3725600 -70.0663 -17.6376 -25.9836 -17.6376 57.9418 -42.6461 -25.9836 -42.6462 30.5153 GPRESSAVG: 3725600 -69.9835 -18.13 -25.5212 -17.5487 57.6276 -42.5288 -25.74 -42.019 30.4138 TIMING: 3725600 CPU: 11160.6, 0.00301228/step Wall: 11160.6, 0.00301228/step, 1.06635 hours remaining, 207.816406 MB of memory in use. ENERGY: 3725600 753.7162 2093.4935 1936.9162 120.7985 -205920.4156 17598.2762 0.0000 0.0000 33891.7918 -149525.4232 295.9854 -183417.2150 -149432.0212 298.6496 -168.4149 -144.7843 556999.7624 6.1302 6.0193 PRESSURE: 3725800 -229.763 -51.8827 -26.4105 -51.8841 4.99728 71.9946 -26.4104 71.9944 -116.38 GPRESSURE: 3725800 -128.373 -52.4219 -62.1718 -20.0019 19.1855 9.64483 -26.0124 19.6945 -141.856 PRESSAVG: 3725800 1.94113 14.6547 -22.9173 14.6548 -40.0383 -30.5652 -22.9172 -30.5651 -18.0357 GPRESSAVG: 3725800 1.55064 15.8169 -25.4166 15.4263 -40.5557 -31.8715 -22.1367 -31.1995 -16.8226 TIMING: 3725800 CPU: 11161.2, 0.00299542/step Wall: 11161.2, 0.00299542/step, 1.06021 hours remaining, 207.816406 MB of memory in use. ENERGY: 3725800 740.7502 2139.0260 1903.9675 95.1018 -206023.0147 17588.7053 0.0000 0.0000 34005.0499 -149550.4138 296.9746 -183555.4638 -149463.6896 298.1096 -113.7152 -83.6812 557306.9651 -18.7110 -18.6092 PRESSURE: 3726000 -32.039 -24.8207 -134.967 -24.8206 173.248 74.3122 -134.968 74.3112 -92.8413 GPRESSURE: 3726000 -9.11031 36.4493 -166.352 -30.5089 187.028 138.748 -161.067 -0.212553 -38.0004 PRESSAVG: 3726000 -29.3353 82.9085 29.6062 82.9086 43.9685 38.5075 29.6062 38.5076 7.45909 GPRESSAVG: 3726000 -29.9514 82.3211 34.2732 82.9866 44.1245 39.4373 26.274 37.0969 8.50614 TIMING: 3726000 CPU: 11161.8, 0.00299822/step Wall: 11161.8, 0.00299822/step, 1.06104 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: 3726000 766.4073 2087.9297 1958.6583 116.7999 -206593.7905 18091.2509 0.0000 0.0000 34184.7346 -149388.0098 298.5438 -183572.7444 -149298.8508 298.4975 16.1227 46.6392 557584.1270 7.3641 7.5597 PRESSURE: 3726200 461.398 -138.035 -6.88884 -138.036 41.9511 -80.1938 -6.88876 -80.1946 187.383 GPRESSURE: 3726200 445.557 -191.402 -28.0917 -64.8246 110.341 -106.289 62.4173 28.1959 217.161 PRESSAVG: 3726200 -27.9171 66.427 0.308075 66.4271 8.40664 8.64339 0.308195 8.64333 14.6422 GPRESSAVG: 3726200 -26.0245 68.5442 -2.91517 65.3874 7.63785 7.70941 1.7018 10.336 13.6977 TIMING: 3726200 CPU: 11162.4, 0.00301353/step Wall: 11162.4, 0.00301353/step, 1.06629 hours remaining, 207.816406 MB of memory in use. ENERGY: 3726200 745.5799 2111.9617 1947.7861 117.0419 -206629.5375 18231.3728 0.0000 0.0000 34261.1760 -149214.6190 299.2114 -183475.7951 -149127.4663 299.1535 230.2441 257.6864 557167.9818 -1.6227 -1.5630 PRESSURE: 3726400 -2.08413 -11.1066 -67.7609 -11.1059 252.783 -137.595 -67.7612 -137.594 35.0895 GPRESSURE: 3726400 13.6183 -38.6498 -86.7783 -35.1358 241.166 -118.775 -139.981 -165.389 109.701 PRESSAVG: 3726400 -24.9579 67.021 -24.2819 67.021 36.2705 3.49848 -24.2819 3.49846 -77.0545 GPRESSAVG: 3726400 -25.4691 65.2396 -25.0284 66.8959 37.6096 3.51488 -22.9406 3.2633 -77.8783 TIMING: 3726400 CPU: 11163, 0.00304757/step Wall: 11163, 0.00304757/step, 1.07816 hours remaining, 207.816406 MB of memory in use. ENERGY: 3726400 730.3211 2124.2429 1964.3132 113.9925 -206552.2950 18095.5045 0.0000 0.0000 34301.8992 -149222.0216 299.5670 -183523.9207 -149126.4751 298.9171 95.2628 121.4951 557502.2251 -21.9140 -21.9126 PRESSURE: 3726600 31.7441 10.0962 -93.8783 10.0962 -32.9145 166.574 -93.8782 166.573 -122.374 GPRESSURE: 3726600 121.721 34.1016 -154.521 -39.9758 16.0628 202.548 -130.594 127.34 -156.543 PRESSAVG: 3726600 -33.8405 -31.2296 -48.8414 -31.2295 41.3883 1.60113 -48.8415 1.60113 14.1339 GPRESSAVG: 3726600 -34.308 -31.2017 -47.0973 -29.2481 40.7068 2.04043 -50.8917 2.26579 15.5443 TIMING: 3726600 CPU: 11163.6, 0.00301081/step Wall: 11163.6, 0.00301081/step, 1.06499 hours remaining, 207.816406 MB of memory in use. ENERGY: 3726600 780.1583 2177.3306 1965.5629 123.3648 -206464.7523 17916.6384 0.0000 0.0000 34206.8237 -149294.8736 298.7367 -183501.6973 -149201.8300 299.1607 -41.1816 -6.2530 557516.0211 7.2272 7.3144 PRESSURE: 3726800 97.1275 -42.8734 46.3657 -42.874 30.277 -144.903 46.3665 -144.901 90.873 GPRESSURE: 3726800 137.755 -22.3245 -38.9452 -126.252 29.9255 -158.264 130.049 -85.865 154.083 PRESSAVG: 3726800 33.8427 -42.3856 -8.09925 -42.3857 -59.5361 -12.9857 -8.09934 -12.9857 -7.08881 GPRESSAVG: 3726800 33.9458 -42.1195 -10.5414 -45.2351 -58.8112 -12.5982 -4.70479 -13.2959 -7.64914 TIMING: 3726800 CPU: 11164.2, 0.00299092/step Wall: 11164.2, 0.00299092/step, 1.05779 hours remaining, 207.816406 MB of memory in use. ENERGY: 3726800 724.4902 2120.6295 1935.4992 117.0625 -206531.4792 17962.0139 0.0000 0.0000 34233.4239 -149438.3600 298.9690 -183671.7839 -149342.2938 298.9189 72.7592 107.2544 558221.7745 -10.9274 -10.8382 PRESSURE: 3727000 31.7573 163.882 -46.7266 163.882 55.6152 66.9029 -46.7268 66.9041 150.642 GPRESSURE: 3727000 96.931 128.054 -22.2212 167.301 129.051 72.8788 -19.8107 57.7663 107.561 PRESSAVG: 3727000 -34.8669 11.7857 -11.8227 11.7856 -65.4794 -21.4782 -11.8226 -21.4782 81.2891 GPRESSAVG: 3727000 -34.3651 12.3821 -9.91406 12.2706 -65.4366 -19.7709 -13.2722 -23.2182 81.218 TIMING: 3727000 CPU: 11164.8, 0.00299093/step Wall: 11164.8, 0.00299093/step, 1.05763 hours remaining, 207.816406 MB of memory in use. ENERGY: 3727000 734.8420 2161.7145 1970.4277 111.7785 -206838.7872 18030.7418 0.0000 0.0000 34444.0076 -149385.2751 300.8081 -183829.2827 -149281.8258 299.1803 79.3382 111.1810 556501.6258 -6.3524 -6.1946 PRESSURE: 3727200 83.5419 -0.549865 232.396 -0.55079 10.1752 34.243 232.396 34.2428 -145.957 GPRESSURE: 3727200 151.573 -32.6821 177.727 20.0835 14.4382 23.929 195.838 36.7978 -123.55 PRESSAVG: 3727200 34.7008 -45.6252 24.6511 -45.6251 -13.4876 8.3099 24.6511 8.30984 -11.8483 GPRESSAVG: 3727200 35.1601 -46.3248 22.7625 -45.2982 -14.2 5.89088 23.5497 11.5504 -11.804 TIMING: 3727200 CPU: 11165.4, 0.00303251/step Wall: 11165.4, 0.00303251/step, 1.07216 hours remaining, 207.816406 MB of memory in use. ENERGY: 3727200 756.5284 2059.9550 1956.9314 124.9299 -206599.2373 18066.8745 0.0000 0.0000 34182.3291 -149451.6890 298.5228 -183634.0180 -149353.9312 299.2693 -17.4134 14.1538 558908.9019 3.1216 3.0520 PRESSURE: 3727400 -64.0458 20.7328 -66.8685 20.7318 -4.89117 -121.105 -66.8687 -121.105 -63.7954 GPRESSURE: 3727400 -9.84003 131.042 -7.31088 36.733 -4.55765 -103.442 -44.4355 -182.92 -27.2627 PRESSAVG: 3727400 -48.8911 -53.1426 18.2284 -53.1426 -12.4279 -31.9134 18.2285 -31.9136 73.7379 GPRESSAVG: 3727400 -49.1711 -52.2631 20.4702 -52.6163 -12.4894 -32.4027 18.8654 -32.1327 74.2116 TIMING: 3727400 CPU: 11166, 0.00299508/step Wall: 11166, 0.00299508/step, 1.05876 hours remaining, 207.816406 MB of memory in use. ENERGY: 3727400 744.9394 2142.1058 1954.2084 102.8106 -206320.9103 17779.4333 0.0000 0.0000 34198.1639 -149399.2488 298.6611 -183597.4128 -149299.4329 298.6443 -44.2441 -13.8868 559105.1242 4.1396 4.1837 PRESSURE: 3727600 115.16 74.1389 -146.399 74.1374 -39.6085 -20.8305 -146.399 -20.8298 -81.8571 GPRESSURE: 3727600 128.708 45.6456 -217.865 27.2042 38.5359 -5.39961 -164.204 5.16291 -62.6174 PRESSAVG: 3727600 15.0215 3.58213 37.8292 3.58217 18.1043 -23.9513 37.8292 -23.9512 -61.1241 GPRESSAVG: 3727600 14.9508 1.81252 36.0957 3.70987 18.2306 -22.9821 36.6184 -25.7758 -61.9215 TIMING: 3727600 CPU: 11166.6, 0.00302777/step Wall: 11166.6, 0.00302777/step, 1.07015 hours remaining, 207.816406 MB of memory in use. ENERGY: 3727600 801.7740 2083.6051 1968.0731 107.9647 -206454.4674 18044.7058 0.0000 0.0000 34260.5532 -149187.7915 299.2059 -183448.3447 -149087.3462 299.5305 -2.1020 34.8754 557864.2201 -9.3328 -9.5800 PRESSURE: 3727800 142.522 97.0757 -97.9695 97.0764 32.8974 -53.8717 -97.97 -53.8714 -165.794 GPRESSURE: 3727800 180.644 61.986 -104.062 107.961 72.3706 -69.8289 -81.3261 -171.546 -146.985 PRESSAVG: 3727800 26.3144 26.8174 -28.8694 26.8174 39.4773 -5.46842 -28.8693 -5.46856 -44.8794 GPRESSAVG: 3727800 24.898 28.7993 -28.0146 26.0581 40.1171 -6.65803 -26.8037 -5.37452 -44.1609 TIMING: 3727800 CPU: 11167.3, 0.00304568/step Wall: 11167.3, 0.00304568/step, 1.07631 hours remaining, 207.816406 MB of memory in use. ENERGY: 3727800 743.7942 2110.0513 1936.4894 104.1703 -206241.4662 17789.5370 0.0000 0.0000 34237.3622 -149320.0618 299.0034 -183557.4240 -149217.5560 298.3054 3.2085 35.3430 557812.4233 6.9707 6.9514 PRESSURE: 3728000 -388.275 -51.1061 54.8058 -51.1056 83.0197 69.2246 54.8058 69.2245 112.509 GPRESSURE: 3728000 -340.685 -116.3 76.177 -48.0059 96.1474 81.0633 107.903 75.6885 155.201 PRESSAVG: 3728000 -29.5488 20.6338 44.0796 20.6337 24.7323 -0.264677 44.0796 -0.264631 -12.5736 GPRESSAVG: 3728000 -28.5355 19.4902 43.8982 21.7831 24.2775 1.54111 43.9124 1.16503 -13.1418 TIMING: 3728000 CPU: 11167.9, 0.00300749/step Wall: 11167.9, 0.00300749/step, 1.06265 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: 3728000 751.0605 2153.1720 1926.1679 114.6693 -205921.4427 17747.4068 0.0000 0.0000 33971.6109 -149257.3552 296.6825 -183228.9661 -149162.2709 299.0627 -64.2489 -29.7789 557888.1291 -5.7967 -5.7999 PRESSURE: 3728200 -46.5137 119.014 -6.84621 119.013 -160.915 181.395 -6.84511 181.395 -226.02 GPRESSURE: 3728200 -10.3497 47.2987 -25.1075 73.5292 -163.878 133.273 48.1962 120.165 -171.873 PRESSAVG: 3728200 -20.2818 2.70465 50.0116 2.70457 83.9507 56.2924 50.0115 56.2924 -46.0192 GPRESSAVG: 3728200 -19.9097 2.55585 49.9877 1.39145 83.7941 53.185 49.0758 55.7472 -46.3066 TIMING: 3728200 CPU: 11168.5, 0.00301489/step Wall: 11168.5, 0.00301489/step, 1.06509 hours remaining, 207.816406 MB of memory in use. ENERGY: 3728200 769.4330 2135.8250 1921.6451 97.6778 -206310.0564 17713.7826 0.0000 0.0000 34219.6649 -149452.0281 298.8488 -183671.6930 -149359.7166 299.0186 -144.4832 -115.3667 557509.6151 5.8832 5.8592 LDB: ============= START OF LOAD BALANCING ============== 11171.9 LDB: ============== END OF LOAD BALANCING =============== 11171.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11171.9 LDB: ============= START OF LOAD BALANCING ============== 11172.2 LDB: Largest compute 4820 load 0.023660 is 20.0% of average load 0.118180 LDB: Average compute 0.001716 is 1.5% of average load 0.118180 LDB: TIME 11172.2 LOAD: AVG 0.11818 MAX 0.216664 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 11172.2 LOAD: AVG 0.11818 MAX 0.216664 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: TIME 11172.2 LOAD: AVG 0.11818 MAX 0.216664 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.234 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11172.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11172.2 PRESSURE: 3728400 73.2012 18.4161 11.9959 18.4155 71.6905 1.64288 11.997 1.64462 -125.716 GPRESSURE: 3728400 114.013 46.49 -6.62478 -92.2532 66.9963 -31.8194 26.5688 -10.4837 -63.7379 PRESSAVG: 3728400 67.6768 8.02534 37.4323 8.02536 27.6634 67.6824 37.4323 67.6824 -45.0516 GPRESSAVG: 3728400 67.4728 8.28151 39.2886 5.42945 27.6476 70.446 34.903 66.8706 -44.754 TIMING: 3728400 CPU: 11169.1, 0.00307534/step Wall: 11169.1, 0.00307535/step, 1.08628 hours remaining, 206.511719 MB of memory in use. ENERGY: 3728400 768.1025 2108.3061 1957.8854 105.5877 -206317.5598 17696.2154 0.0000 0.0000 34259.3019 -149422.1609 299.1950 -183681.4628 -149326.9265 298.7997 6.3920 39.0906 555904.2369 16.7628 16.7888 PRESSURE: 3728600 137.242 49.1264 -34.733 49.1265 85.6202 -40.932 -34.7334 -40.9316 177.67 GPRESSURE: 3728600 96.8987 -63.1197 -18.2173 64.3017 120.83 -88.577 -102.905 -68.2653 275.436 PRESSAVG: 3728600 -3.49521 5.87375 -15.6665 5.87379 21.4897 -6.97434 -15.6665 -6.97439 -9.28581 GPRESSAVG: 3728600 -3.17994 4.08768 -18.1744 9.73259 20.9004 -7.17159 -13.3486 -5.59401 -8.42963 TIMING: 3728600 CPU: 11169.7, 0.00301817/step Wall: 11169.7, 0.00301817/step, 1.06592 hours remaining, 206.769531 MB of memory in use. ENERGY: 3728600 738.2499 2094.1044 1945.1653 120.2452 -206416.6641 17901.3660 0.0000 0.0000 34211.8729 -149405.6605 298.7808 -183617.5334 -149311.5298 298.8354 133.5109 164.3880 556995.6273 2.9029 3.0969 PRESSURE: 3728800 -302.991 -93.1086 -162.495 -93.1091 -132.886 34.2728 -162.494 34.272 -18.3298 GPRESSURE: 3728800 -231.71 -45.6784 -27.5714 -77.0896 -122.416 -5.55672 -238.647 59.2736 -9.39168 PRESSAVG: 3728800 12.2384 -5.74965 -41.5105 -5.74956 19.2729 14.595 -41.5104 14.5951 -35.4039 GPRESSAVG: 3728800 11.7697 -2.47351 -40.6271 -7.91026 20.5871 14.4135 -43.3138 13.4985 -36.1875 TIMING: 3728800 CPU: 11170.3, 0.00302074/step Wall: 11170.3, 0.00302074/step, 1.06666 hours remaining, 206.769531 MB of memory in use. ENERGY: 3728800 728.8144 2143.8390 1950.4147 116.1992 -206197.5784 17609.7148 0.0000 0.0000 34216.1202 -149432.4761 298.8179 -183648.5963 -149332.8798 298.9665 -151.4023 -121.1724 558639.1991 -1.2975 -1.2769 PRESSURE: 3729000 -289.37 310.581 -0.391317 310.581 -361.852 -359.07 -0.391731 -359.07 -444.05 GPRESSURE: 3729000 -265.964 360.534 48.8312 289.712 -324.044 -337.053 0.551691 -418.183 -405.419 PRESSAVG: 3729000 -36.9879 46.5492 -16.1735 46.5492 20.0789 -47.633 -16.1734 -47.633 46.2046 GPRESSAVG: 3729000 -38.5653 45.7552 -15.7646 49.0333 20.338 -46.7399 -15.8173 -47.7783 47.644 TIMING: 3729000 CPU: 11170.9, 0.00303428/step Wall: 11170.9, 0.00303428/step, 1.07127 hours remaining, 206.769531 MB of memory in use. ENERGY: 3729000 762.9862 2067.4797 1960.4532 108.7170 -206097.9700 17505.3927 0.0000 0.0000 34197.2963 -149495.6449 298.6535 -183692.9412 -149393.9699 298.6683 -365.0906 -331.8090 559584.0545 9.7652 9.8056 PRESSURE: 3729200 -246.651 51.4166 -47.5364 51.4171 -430.665 -86.3052 -47.536 -86.3067 -134.451 GPRESSURE: 3729200 -214.776 10.6299 29.8704 107.403 -429.274 -43.9179 8.5692 -50.3434 -62.1502 PRESSAVG: 3729200 -50.9314 47.6202 3.08328 47.6203 -3.95619 -34.6276 3.08341 -34.6276 87.4731 GPRESSAVG: 3729200 -48.7579 45.6432 3.18651 47.1848 -4.62735 -36.5136 3.87561 -32.6943 86.2838 TIMING: 3729200 CPU: 11171.5, 0.00303834/step Wall: 11171.5, 0.00303834/step, 1.07253 hours remaining, 206.769531 MB of memory in use. ENERGY: 3729200 752.8386 2104.0969 1967.4092 125.5855 -206049.3095 17596.4713 0.0000 0.0000 34172.4430 -149330.4651 298.4364 -183502.9080 -149230.9503 298.8783 -270.5890 -235.4000 558530.2541 10.8618 10.9662 PRESSURE: 3729400 -46.4054 -160.373 295.935 -160.374 62.8733 -160.625 295.935 -160.626 85.7061 GPRESSURE: 3729400 -21.7739 -122.803 280.194 -182.346 100.181 -86.7139 192.02 -173.525 110.186 PRESSAVG: 3729400 14.6424 -0.757401 -25.9117 -0.757431 -19.329 -15.4526 -25.9117 -15.4525 21.4003 GPRESSAVG: 3729400 13.5313 0.187047 -24.8152 -0.221554 -19.1506 -16.2585 -25.5659 -15.8886 21.8931 TIMING: 3729400 CPU: 11172.1, 0.003044/step Wall: 11172.1, 0.003044/step, 1.07436 hours remaining, 206.769531 MB of memory in use. ENERGY: 3729400 761.0791 2093.3665 1933.5160 120.5510 -206475.9915 17727.7779 0.0000 0.0000 34509.0492 -149330.6518 301.3761 -183839.7010 -149229.0735 299.1715 34.0580 62.8642 555871.8202 5.5712 5.4246 PRESSURE: 3729600 -22.2765 29.2071 47.3189 29.2071 -143.479 -36.2947 47.3191 -36.2949 -128.897 GPRESSURE: 3729600 -47.9744 85.6667 46.2724 28.9119 -58.8296 -104.198 59.3679 -55.5095 -94.1815 PRESSAVG: 3729600 -57.4258 17.1581 72.402 17.1581 20.6842 -57.8931 72.4021 -57.8931 90.6925 GPRESSAVG: 3729600 -57.486 19.0468 71.0593 14.8708 19.8802 -60.4633 72.1605 -56.6519 91.8901 TIMING: 3729600 CPU: 11172.7, 0.00303635/step Wall: 11172.7, 0.00303635/step, 1.07149 hours remaining, 206.769531 MB of memory in use. ENERGY: 3729600 750.9768 2034.4998 1960.1207 121.6292 -206076.7751 17697.2876 0.0000 0.0000 34211.0955 -149301.1655 298.7740 -183512.2610 -149199.1002 299.6450 -98.2176 -66.9951 558335.2457 17.9837 18.0948 PRESSURE: 3729800 -25.3266 91.3225 -235.702 91.3229 -258.886 -82.7656 -235.702 -82.764 258.209 GPRESSURE: 3729800 -9.83569 80.9565 -191.56 4.7458 -202.923 -26.1654 -238.245 -97.5264 299.27 PRESSAVG: 3729800 -4.93657 73.5054 -28.1301 73.5054 -39.8919 34.9874 -28.1301 34.9873 33.1229 GPRESSAVG: 3729800 -4.36068 71.7618 -30.3113 74.7637 -39.4652 37.6395 -27.4434 32.631 32.0143 TIMING: 3729800 CPU: 11173.3, 0.00301211/step Wall: 11173.3, 0.00301211/step, 1.06277 hours remaining, 206.769531 MB of memory in use. ENERGY: 3729800 749.5089 2094.6243 1937.4649 108.1112 -206704.1719 18202.6548 0.0000 0.0000 34299.3552 -149312.4525 299.5448 -183611.8077 -149216.2728 298.9710 -8.6678 28.8369 559066.5564 -3.9019 -3.9372 PRESSURE: 3730000 -74.4396 78.4056 30.5644 78.4056 -45.8178 9.784 30.5643 9.78444 6.04672 GPRESSURE: 3730000 -13.2978 34.5081 7.03054 171.462 -1.90408 -29.9656 51.5568 41.6485 -0.398558 PRESSAVG: 3730000 7.80804 24.8068 -79.6459 24.8068 -12.2071 -5.72112 -79.646 -5.72108 17.6685 GPRESSAVG: 3730000 8.69909 23.8726 -76.9584 24.827 -11.9484 -4.23424 -80.3884 -5.99625 17.2433 TIMING: 3730000 CPU: 11173.9, 0.00302006/step Wall: 11173.9, 0.00302006/step, 1.06541 hours remaining, 206.769531 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: 3730000 720.9415 2095.3148 1958.4670 110.5369 -206043.0320 17598.3949 0.0000 0.0000 34299.9497 -149259.4270 299.5500 -183559.3768 -149158.3774 299.4084 -38.0702 -5.2001 557997.1547 4.4231 4.6647 PRESSURE: 3730200 -102.433 19.3538 74.1529 19.3549 -132.56 9.94703 74.1521 9.94742 -199.884 GPRESSURE: 3730200 -111.085 22.3198 105.762 9.3911 -56.1027 -72.0305 60.3039 53.1676 -164.825 PRESSAVG: 3730200 -2.19504 -7.52493 -14.0963 -7.52491 -10.0021 61.3536 -14.0962 61.3536 20.9539 GPRESSAVG: 3730200 -1.93822 -6.81031 -15.6258 -8.45792 -9.66375 61.3437 -12.83 62.0762 20.1294 TIMING: 3730200 CPU: 11174.5, 0.00303289/step Wall: 11174.5, 0.00303289/step, 1.06977 hours remaining, 206.769531 MB of memory in use. ENERGY: 3730200 737.5148 2079.4114 1963.1609 115.2390 -206058.8176 17678.7889 0.0000 0.0000 34191.0402 -149293.6624 298.5989 -183484.7025 -149201.3662 298.8202 -144.9588 -110.6710 558459.1251 2.9189 2.8425 PRESSURE: 3730400 -265.108 -38.2689 71.0485 -38.2689 274.411 -9.13356 71.0485 -9.13205 -89.6619 GPRESSURE: 3730400 -171.993 -79.2048 59.8823 -50.6757 221.15 32.48 34.2494 5.63373 -30.4812 PRESSAVG: 3730400 -81.6924 -73.0004 28.6946 -73.0003 62.8945 10.9012 28.6946 10.9012 -19.2988 GPRESSAVG: 3730400 -81.9441 -71.1402 29.5094 -72.4423 62.6624 8.35487 29.1455 11.639 -19.0223 TIMING: 3730400 CPU: 11175.1, 0.00303038/step Wall: 11175.1, 0.00303038/step, 1.06872 hours remaining, 206.769531 MB of memory in use. ENERGY: 3730400 772.8891 2038.8543 1944.6998 101.0192 -206375.5526 17921.2083 0.0000 0.0000 34350.8595 -149246.0224 299.9946 -183596.8819 -149147.1688 298.6378 -26.7862 6.2255 558415.4884 -12.6989 -12.7680 PRESSURE: 3730600 181.378 90.9705 30.4265 90.9706 94.1351 66.2251 30.427 66.2259 33.7787 GPRESSURE: 3730600 181.26 98.1868 46.9661 142.088 114.097 -6.52784 46.8878 81.0261 107.377 PRESSAVG: 3730600 64.4074 6.84887 53.8503 6.84892 -13.325 42.8781 53.8503 42.8781 -52.4026 GPRESSAVG: 3730600 64.5069 4.777 55.7625 8.24278 -13.7596 44.561 52.3938 41.8897 -52.0797 TIMING: 3730600 CPU: 11175.7, 0.00306571/step Wall: 11175.7, 0.00306571/step, 1.081 hours remaining, 206.769531 MB of memory in use. ENERGY: 3730600 749.8034 2038.7163 1941.7857 100.8280 -206124.0346 17953.2737 0.0000 0.0000 34104.7471 -149234.8803 297.8452 -183339.6274 -149129.4597 298.7443 103.0971 134.2446 558595.8616 -0.4401 -0.4441 PRESSURE: 3730800 262.796 -134.544 -67.2532 -134.544 170.814 197.96 -67.2521 197.96 371.902 GPRESSURE: 3730800 317.892 -77.0249 -77.4805 -193.023 221.21 285.409 -42.2083 200.213 374.725 PRESSAVG: 3730800 57.0608 20.9872 22.1681 20.9873 -14.8307 22.2623 22.168 22.2623 -51.9944 GPRESSAVG: 3730800 56.783 20.8346 20.5399 22.6787 -14.6684 22.8208 21.3304 22.5774 -51.7472 TIMING: 3730800 CPU: 11176.4, 0.00302617/step Wall: 11176.4, 0.00302617/step, 1.06689 hours remaining, 206.769531 MB of memory in use. ENERGY: 3730800 723.5977 2055.1800 1948.4856 112.4870 -206656.2523 18182.3861 0.0000 0.0000 34428.0793 -149206.0365 300.6690 -183634.1158 -149107.9602 298.9334 268.5037 304.6090 555269.6419 -3.2548 -3.2108 PRESSURE: 3731000 204.337 -62.3083 -95.4167 -62.3086 266.963 92.3401 -95.4181 92.3391 150.836 GPRESSURE: 3731000 245.498 -40.1235 -1.73756 -123.131 317.518 157.508 -109.282 65.1845 168.122 PRESSAVG: 3731000 19.9261 -0.0337519 20.033 -0.0337949 -15.3348 77.7168 20.0331 77.7168 17.1416 GPRESSAVG: 3731000 20.9812 0.765784 19.5125 -2.75692 -14.9754 75.4056 20.6504 79.0751 15.6706 TIMING: 3731000 CPU: 11177, 0.0030361/step Wall: 11177, 0.0030361/step, 1.07023 hours remaining, 206.769531 MB of memory in use. ENERGY: 3731000 752.4136 2078.2682 1947.6466 122.7550 -206522.5271 18165.1728 0.0000 0.0000 34396.4969 -149059.7739 300.3932 -183456.2708 -148961.0311 299.1358 207.3786 243.7129 556805.0648 7.2443 7.2255 PRESSURE: 3731200 27.4873 -108.451 22.0272 -108.451 -43.3462 -39.4971 22.0258 -39.4975 -103.018 GPRESSURE: 3731200 53.1296 -207.976 27.6588 -58.9788 -47.0256 55.571 59.3309 -34.26 -28.0168 PRESSAVG: 3731200 -39.2186 -75.6533 -0.229587 -75.6533 62.938 62.5245 -0.229496 62.5244 -32.4384 GPRESSAVG: 3731200 -39.1484 -74.9109 1.93937 -76.3304 62.2698 65.6701 -1.11801 60.2129 -31.6518 TIMING: 3731200 CPU: 11177.6, 0.00304348/step Wall: 11177.6, 0.00304348/step, 1.07266 hours remaining, 206.769531 MB of memory in use. ENERGY: 3731200 770.3768 2092.6136 1947.3148 111.3166 -206052.7842 17721.4064 0.0000 0.0000 34433.6261 -148976.1299 300.7174 -183409.7561 -148885.9592 299.9999 -39.6256 -7.3042 558171.2569 -2.9063 -2.8434 PRESSURE: 3731400 -94.2162 79.5387 83.2463 79.5378 -328.703 0.273814 83.2472 0.27432 -112.258 GPRESSURE: 3731400 -83.8954 75.6546 86.3297 53.0921 -266.399 -24.2724 106.797 46.05 -93.8973 PRESSAVG: 3731400 18.3618 -1.28219 22.511 -1.28217 1.33646 41.6969 22.511 41.697 11.5354 GPRESSAVG: 3731400 18.1522 -2.52136 20.9324 0.651813 1.42939 40.8911 23.7261 42.8253 11.805 TIMING: 3731400 CPU: 11178.2, 0.00302256/step Wall: 11178.2, 0.00302256/step, 1.06512 hours remaining, 206.769531 MB of memory in use. ENERGY: 3731400 708.2080 2109.8746 1961.9570 108.3871 -205697.6420 17435.8524 0.0000 0.0000 34272.1742 -149101.1887 299.3074 -183373.3629 -149004.5691 299.3401 -178.3926 -148.0640 559569.8114 10.4112 10.4622 PRESSURE: 3731600 -4.89253 -52.458 188.363 -52.4572 38.2919 3.25392 188.363 3.25431 -33.9188 GPRESSURE: 3731600 -12.9228 7.24195 236.319 -100.633 120.999 3.43106 147.993 15.0176 -1.96953 PRESSAVG: 3731600 12.7286 -52.08 30.8426 -52.08 -22.9383 30.7837 30.8425 30.7837 16.1722 GPRESSAVG: 3731600 12.9493 -50.3818 31.692 -53.1798 -21.9556 31.4483 29.8512 29.2931 15.7299 TIMING: 3731600 CPU: 11178.8, 0.00305998/step Wall: 11178.8, 0.00305998/step, 1.07813 hours remaining, 206.769531 MB of memory in use. ENERGY: 3731600 756.3780 2100.7045 1935.3017 109.6048 -206187.8398 17780.8690 0.0000 0.0000 34545.1774 -148959.8043 301.6916 -183504.9818 -148862.7481 300.4341 -0.1731 35.3688 558474.1695 1.9875 2.2412 PRESSURE: 3731800 -81.161 -44.2926 23.9558 -44.2929 112.182 121.027 23.9557 121.029 295.367 GPRESSURE: 3731800 -62.9763 -19.7594 2.80678 41.4318 199.955 147.609 45.4883 90.5012 298.094 PRESSAVG: 3731800 -30.7811 -31.5702 3.78457 -31.5703 55.4816 63.3815 3.78456 63.3814 2.74971 GPRESSAVG: 3731800 -29.3578 -33.1045 2.16888 -30.9533 55.7884 63.4813 3.41807 64.063 1.39162 TIMING: 3731800 CPU: 11179.4, 0.00305804/step Wall: 11179.4, 0.00305804/step, 1.07728 hours remaining, 207.027344 MB of memory in use. ENERGY: 3731800 763.2467 2060.5193 1942.1185 114.1095 -206558.6221 18167.6523 0.0000 0.0000 34464.6985 -149046.2773 300.9888 -183510.9758 -148950.6271 300.5417 108.7960 145.0241 558061.8211 9.1501 9.2741 PRESSURE: 3732000 -10.9724 52.8107 160.22 52.8117 365.591 -10.3919 160.22 -10.3918 26.5993 GPRESSURE: 3732000 61.3301 -30.3488 186.956 82.3385 360.234 -1.39971 45.2001 -21.074 70.5201 PRESSAVG: 3732000 -53.8405 -18.74 26.351 -18.74 3.56388 -2.73014 26.351 -2.73012 68.0898 GPRESSAVG: 3732000 -54.8063 -17.7857 26.773 -18.405 3.74656 -3.30347 26.1316 -1.1226 68.9476 TIMING: 3732000 CPU: 11180, 0.00306311/step Wall: 11180, 0.00306311/step, 1.07889 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: 3732000 713.0500 2150.2230 1944.4291 119.0006 -206164.1777 17957.9261 0.0000 0.0000 34357.7123 -148921.8365 300.0544 -183279.5488 -148826.2086 299.9838 127.0726 164.0279 557622.2709 5.9377 5.9626 PRESSURE: 3732200 18.4231 -174.786 -13.3579 -174.786 322.208 8.5126 -13.3577 8.51306 313.761 GPRESSURE: 3732200 70.0015 -156.833 -86.6271 -194.599 314.399 87.421 13.9216 70.6854 371.292 PRESSAVG: 3732200 -11.324 11.7444 18.0783 11.7445 -38.8351 -19.9751 18.0783 -19.9751 30.176 GPRESSAVG: 3732200 -9.77477 8.60246 16.8949 13.0622 -39.2423 -19.735 19.2542 -20.0431 28.9719 TIMING: 3732200 CPU: 11180.6, 0.00304778/step Wall: 11180.6, 0.00304778/step, 1.07333 hours remaining, 207.027344 MB of memory in use. ENERGY: 3732200 746.0653 2103.4700 1979.9092 123.1993 -206253.8631 18097.0826 0.0000 0.0000 34457.0972 -148747.0396 300.9224 -183204.1368 -148641.7227 300.5920 218.1308 251.8975 557326.1268 -6.6610 -6.6817 LDB: ============= START OF LOAD BALANCING ============== 11184.1 LDB: ============== END OF LOAD BALANCING =============== 11184.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11184.1 LDB: ============= START OF LOAD BALANCING ============== 11184.4 LDB: Largest compute 4820 load 0.024372 is 20.6% of average load 0.118121 LDB: Average compute 0.001713 is 1.5% of average load 0.118121 LDB: TIME 11184.4 LOAD: AVG 0.118121 MAX 0.219223 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.402 MB LDB: TIME 11184.4 LOAD: AVG 0.118121 MAX 0.219223 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.402 MB LDB: TIME 11184.4 LOAD: AVG 0.118121 MAX 0.219223 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.402 MB LDB: ============== END OF LOAD BALANCING =============== 11184.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11184.4 PRESSURE: 3732400 -19.2196 26.5883 11.333 26.589 -73.5816 74.8047 11.3335 74.8063 -168.59 GPRESSURE: 3732400 57.9164 133.247 -9.92697 -1.95886 -76.4874 80.2803 91.8981 -4.66002 -143.618 PRESSAVG: 3732400 22.0518 -20.8355 -28.558 -20.8356 -3.6264 -84.7267 -28.5579 -84.7267 28.4784 GPRESSAVG: 3732400 21.7301 -19.306 -27.2248 -20.7635 -4.38024 -86.1168 -28.5986 -86.2912 29.5708 TIMING: 3732400 CPU: 11181.2, 0.00307722/step Wall: 11181.2, 0.00307722/step, 1.08352 hours remaining, 206.414062 MB of memory in use. ENERGY: 3732400 741.3707 2128.6703 1947.1516 123.4650 -205752.7525 17627.9036 0.0000 0.0000 34344.8185 -148839.3727 299.9418 -183184.1912 -148736.6286 300.6849 -87.1303 -54.0631 558021.0064 15.6346 15.6402 PRESSURE: 3732600 -68.6015 90.9292 -114.178 90.9288 61.1302 62.5749 -114.177 62.5769 161.8 GPRESSURE: 3732600 -58.2259 46.6626 -121.91 205.935 137.31 73.3053 -129.143 15.8478 175.747 PRESSAVG: 3732600 -17.064 30.4667 -3.19964 30.4666 -25.9881 19.7981 -3.1997 19.7982 24.2291 GPRESSAVG: 3732600 -18.009 33.3888 -4.76568 26.8518 -24.7001 21.538 -2.6264 19.8391 24.3106 TIMING: 3732600 CPU: 11181.8, 0.00301275/step Wall: 11181.8, 0.00301275/step, 1.06066 hours remaining, 206.613281 MB of memory in use. ENERGY: 3732600 725.8054 2134.2853 1957.5454 109.5376 -206246.1864 17904.9680 0.0000 0.0000 34534.4667 -148879.5781 301.5981 -183414.0448 -148789.3088 300.1359 51.4429 84.9437 557811.6489 -6.2743 -6.1329 PRESSURE: 3732800 43.3146 308.7 151.154 308.7 47.1871 -5.85288 151.155 -5.85308 190.928 GPRESSURE: 3732800 109.418 329.441 139.22 311.222 77.0369 0.889162 120.199 70.1194 198.291 PRESSAVG: 3732800 35.3211 44.9787 28.7015 44.9788 -40.343 -28.5043 28.7014 -28.5043 13.0283 GPRESSAVG: 3732800 36.6361 43.3191 29.0052 47.7556 -40.6282 -30.2855 26.6816 -26.5781 11.2069 TIMING: 3732800 CPU: 11182.4, 0.00300751/step Wall: 11182.4, 0.00300751/step, 1.05864 hours remaining, 206.613281 MB of memory in use. ENERGY: 3732800 743.6431 2111.2416 1985.4279 111.6254 -206290.5441 17880.7090 0.0000 0.0000 34533.2994 -148924.5977 301.5879 -183457.8971 -148831.3635 299.7260 93.8099 128.2485 558397.4388 2.6688 2.4049 PRESSURE: 3733000 139.364 -21.7653 103.763 -21.7642 -76.0472 -8.04837 103.765 -8.04765 -4.9797 GPRESSURE: 3733000 153.417 -118.789 65.0398 -7.01272 -19.7448 -34.689 110.246 14.6049 21.3701 PRESSAVG: 3733000 19.5407 -3.66632 -37.3735 -3.66635 -36.862 12.3475 -37.3735 12.3476 24.3405 GPRESSAVG: 3733000 18.454 -4.15271 -36.7225 -5.2353 -37.8473 14.4362 -35.9282 10.5252 26.4489 TIMING: 3733000 CPU: 11183, 0.00302372/step Wall: 11183, 0.00302372/step, 1.06418 hours remaining, 206.613281 MB of memory in use. ENERGY: 3733000 764.8780 2109.3324 1951.2538 126.1872 -206264.0105 17999.9551 0.0000 0.0000 34416.7047 -148895.6993 300.5696 -183312.4041 -148797.8049 300.1632 19.4457 51.6806 557495.0962 2.3397 2.3519 PRESSURE: 3733200 -104.272 73.3626 2.71693 73.3635 -103.428 129.507 2.71745 129.508 -65.5616 GPRESSURE: 3733200 -118.376 137.69 2.6232 29.5599 -27.9104 90.1126 63.6654 206.459 -12.8416 PRESSAVG: 3733200 9.08254 -30.2468 45.1998 -30.2468 -24.944 16.4769 45.1998 16.4768 18.4312 GPRESSAVG: 3733200 9.46711 -30.1172 46.3739 -29.2582 -25.1237 11.9924 42.6657 19.1627 18.1962 TIMING: 3733200 CPU: 11183.6, 0.00300186/step Wall: 11183.6, 0.00300186/step, 1.05632 hours remaining, 206.613281 MB of memory in use. ENERGY: 3733200 778.5681 2119.3738 1941.7765 105.5522 -205540.4887 17505.6517 0.0000 0.0000 34069.3611 -149020.2053 297.5362 -183089.5664 -148927.6375 299.9238 -91.0871 -53.0428 558557.5127 0.8566 0.8465 PRESSURE: 3733400 55.9001 157.543 -11.9922 157.544 -112.684 -11.8417 -11.992 -11.8433 -66.2708 GPRESSURE: 3733400 82.1142 116.117 -7.51567 151.287 -80.723 -19.1426 -42.2863 43.7219 -21.1426 PRESSAVG: 3733400 -4.62975 7.53748 27.3875 7.53746 -50.8514 30.9688 27.3875 30.9688 26.9668 GPRESSAVG: 3733400 -5.07206 7.39432 28.3417 7.71548 -50.3397 33.9853 29.9453 28.3296 26.6731 TIMING: 3733400 CPU: 11184.2, 0.0030306/step Wall: 11184.2, 0.0030306/step, 1.06627 hours remaining, 206.613281 MB of memory in use. ENERGY: 3733400 766.6579 2085.3577 1928.4963 107.5764 -205949.2077 17731.7814 0.0000 0.0000 34318.1341 -149011.2039 299.7088 -183329.3380 -148909.1003 299.5404 -41.0182 -6.5838 559663.0534 -9.5048 -9.5796 PRESSURE: 3733600 253.998 -50.5373 -125.819 -50.5365 147.38 118.933 -125.819 118.933 387.973 GPRESSURE: 3733600 309.269 -43.5754 -132.91 -131.445 148.212 127.792 -69.878 165.82 434.86 PRESSAVG: 3733600 49.4126 0.369651 2.8459 0.36974 -17.0148 38.3774 2.84589 38.3773 -29.2665 GPRESSAVG: 3733600 50.0504 1.6597 1.26975 -1.59601 -17.1597 38.8083 2.9407 38.3331 -29.8531 TIMING: 3733600 CPU: 11184.9, 0.00302875/step Wall: 11184.9, 0.00302875/step, 1.06545 hours remaining, 206.613281 MB of memory in use. ENERGY: 3733600 796.3779 2159.1416 1949.8187 94.7926 -206597.6130 18336.5403 0.0000 0.0000 34143.0557 -149117.8860 298.1798 -183260.9418 -149029.3803 299.3833 263.1171 297.4469 556664.9694 1.0438 1.0125 PRESSURE: 3733800 25.4342 -25.6722 152.515 -25.6721 -3.23036 5.90805 152.514 5.90708 58.0613 GPRESSURE: 3733800 106.463 -2.25569 57.3717 -42.994 -46.0783 -39.0457 235.51 37.2218 116.25 PRESSAVG: 3733800 64.5588 22.8545 -13.142 22.8545 -45.036 -39.8305 -13.1421 -39.8304 18.2709 GPRESSAVG: 3733800 64.1451 21.2445 -16.1084 24.9036 -45.0097 -41.0653 -10.9739 -39.1799 18.9565 TIMING: 3733800 CPU: 11185.5, 0.0030175/step Wall: 11185.5, 0.0030175/step, 1.06132 hours remaining, 206.613281 MB of memory in use. ENERGY: 3733800 744.5371 2104.1059 1929.1230 115.5925 -206200.7272 17858.2685 0.0000 0.0000 34374.7200 -149074.3802 300.2030 -183449.1003 -148977.4830 299.2446 26.7550 58.8782 558124.6516 12.5979 12.6973 PRESSURE: 3734000 -145.454 -161.625 210.039 -161.624 -29.119 -60.0092 210.039 -60.0089 -125.452 GPRESSURE: 3734000 -65.4592 -73.3666 149.986 -210.416 -55.5141 2.76706 259.131 -59.0718 -101.579 PRESSAVG: 3734000 -1.76428 37.4135 -41.5372 37.4136 -23.1423 11.9467 -41.5371 11.9466 -4.47156 GPRESSAVG: 3734000 -1.6017 39.2932 -40.6528 35.9994 -23.8697 12.0773 -43.2157 12.5322 -3.94969 TIMING: 3734000 CPU: 11186.1, 0.00301468/step Wall: 11186.1, 0.00301468/step, 1.06016 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: 3734000 742.2205 2102.0453 1931.1055 117.1073 -205904.8785 17714.0388 0.0000 0.0000 34201.1123 -149097.2489 298.6868 -183298.3611 -148998.8198 299.2851 -100.0083 -74.1843 559250.5926 -9.7927 -9.8070 PRESSURE: 3734200 -19.4155 44.6259 -34.873 44.6249 67.093 -123.783 -34.873 -123.784 103.721 GPRESSURE: 3734200 25.0289 5.1798 65.5641 49.8741 121.827 -191.655 -71.8424 -110.495 99.7943 PRESSAVG: 3734200 44.6966 -17.7108 -76.4535 -17.7107 51.1706 -5.80863 -76.4535 -5.80872 -71.6721 GPRESSAVG: 3734200 44.5974 -18.9875 -73.9996 -14.751 52.1957 -4.78002 -77.9431 -7.39066 -72.0726 TIMING: 3734200 CPU: 11186.7, 0.00302533/step Wall: 11186.7, 0.00302533/step, 1.06374 hours remaining, 206.613281 MB of memory in use. ENERGY: 3734200 721.7946 2146.2922 1937.5775 112.1848 -205939.3202 17618.9377 0.0000 0.0000 34228.0709 -149174.4624 298.9223 -183402.5334 -149076.5762 299.2639 50.4663 82.2166 556969.4645 8.0650 8.2402 PRESSURE: 3734400 130.697 191.392 17.1327 191.392 -16.4529 86.1674 17.1303 86.1665 -32.7977 GPRESSURE: 3734400 161.412 231.8 -9.99726 136.639 50.9115 76.2917 -10.0717 61.8803 -41.3521 PRESSAVG: 3734400 17.3871 5.07824 30.3952 5.07829 -32.0589 7.99609 30.3951 7.99621 1.06192 GPRESSAVG: 3734400 18.1515 4.95044 28.2284 4.94599 -31.9647 5.76962 30.848 10.4917 0.162261 TIMING: 3734400 CPU: 11187.3, 0.00298907/step Wall: 11187.3, 0.00298907/step, 1.05082 hours remaining, 206.613281 MB of memory in use. ENERGY: 3734400 707.4651 2132.9776 1932.9350 114.3318 -206250.8348 17911.7154 0.0000 0.0000 34249.8847 -149201.5253 299.1128 -183451.4100 -149109.0865 299.2609 27.1488 56.9904 558168.9039 -4.5366 -4.5503 PRESSURE: 3734600 -22.0721 53.338 62.006 53.3382 -36.6824 89.7634 62.0066 89.763 205.975 GPRESSURE: 3734600 10.2705 47.7289 -57.8979 14.9389 26.3469 50.3879 75.4092 231.937 215.047 PRESSAVG: 3734600 -6.4753 -27.0653 -20.6086 -27.0653 53.4087 -8.02957 -20.6086 -8.02945 -51.1673 GPRESSAVG: 3734600 -6.44147 -27.4657 -22.5065 -28.637 53.4331 -5.78548 -17.9219 -9.63785 -50.5901 TIMING: 3734600 CPU: 11187.9, 0.0030151/step Wall: 11187.9, 0.0030151/step, 1.05981 hours remaining, 206.613281 MB of memory in use. ENERGY: 3734600 756.0321 2090.4791 1935.6392 98.9179 -206624.4631 18097.7944 0.0000 0.0000 34447.8807 -149197.7196 300.8419 -183645.6004 -149096.1096 299.0520 49.0736 83.8882 556768.7665 -1.4113 -1.1995 PRESSURE: 3734800 304.389 167.557 -74.7368 167.557 -11.3148 -82.4079 -74.7376 -82.4067 -59.5503 GPRESSURE: 3734800 283.118 160.747 -136.971 7.47033 -4.59868 -73.289 2.31512 -38.8707 56.7749 PRESSAVG: 3734800 10.6892 0.849683 -8.76675 0.849723 21.3418 26.3826 -8.76668 26.3826 -17.9529 GPRESSAVG: 3734800 10.8987 1.90138 -7.2323 -0.350626 21.8219 25.6574 -10.0872 26.758 -18.1763 TIMING: 3734800 CPU: 11188.5, 0.00302588/step Wall: 11188.5, 0.00302588/step, 1.06343 hours remaining, 206.613281 MB of memory in use. ENERGY: 3734800 734.7520 2104.6522 1956.4476 127.1715 -206103.0425 17744.7602 0.0000 0.0000 34204.1989 -149231.0602 298.7138 -183435.2591 -149140.5501 299.2410 77.8412 111.7647 556158.1794 4.6927 4.8481 PRESSURE: 3735000 -116.447 28.4526 -43.8396 28.4527 -34.1443 44.4226 -43.84 44.4208 -301.126 GPRESSURE: 3735000 -74.0003 -28.9348 30.9839 105.919 -11.7592 75.536 31.7794 41.7714 -271.135 PRESSAVG: 3735000 -21.1632 9.99705 2.23228 9.997 80.1772 15.2987 2.23233 15.2986 -84.1741 GPRESSAVG: 3735000 -22.0456 8.4271 4.50431 12.5242 80.0976 13.8703 1.52172 16.3437 -83.2699 TIMING: 3735000 CPU: 11189.1, 0.00303098/step Wall: 11189.1, 0.00303098/step, 1.06505 hours remaining, 206.613281 MB of memory in use. ENERGY: 3735000 729.0900 2119.8432 1937.0114 114.6048 -206036.3577 17579.8685 0.0000 0.0000 34213.1250 -149342.8149 298.7917 -183555.9399 -149248.3323 299.0366 -150.5725 -118.9649 557070.2176 -8.3867 -8.4059 PRESSURE: 3735200 -165.224 -234.34 54.6105 -234.341 -122.408 -77.8783 54.6102 -77.8782 39.2225 GPRESSURE: 3735200 -159.334 -228.499 65.1252 -228.887 -21.1623 -79.301 19.3398 15.7789 56.668 PRESSAVG: 3735200 -37.7949 -37.9647 3.74823 -37.9647 58.8485 5.7319 3.7482 5.73199 -56.7033 GPRESSAVG: 3735200 -36.7641 -38.511 3.26094 -37.5011 59.4941 4.93986 3.12674 5.45758 -58.2686 TIMING: 3735200 CPU: 11189.7, 0.00303108/step Wall: 11189.7, 0.00303108/step, 1.06492 hours remaining, 206.613281 MB of memory in use. ENERGY: 3735200 714.6498 2079.7394 1949.8744 118.6670 -206199.3331 17751.0703 0.0000 0.0000 34380.6318 -149204.7006 300.2546 -183585.3323 -149103.2035 298.7899 -82.8033 -41.2760 557946.8056 -11.8832 -11.8462 PRESSURE: 3735400 -174.705 -16.5019 -74.5058 -16.5025 -241.898 11.1832 -74.5055 11.1827 -120.69 GPRESSURE: 3735400 -181.544 -71.2301 -123.761 51.7338 -188.444 17.3176 -49.285 -18.8005 -62.217 PRESSAVG: 3735400 15.5414 -85.692 -35.2298 -85.692 -6.26728 17.904 -35.2299 17.904 6.88213 GPRESSAVG: 3735400 15.683 -84.4794 -35.8506 -87.2082 -7.68493 17.475 -35.7531 18.9749 8.16345 TIMING: 3735400 CPU: 11190.3, 0.00302895/step Wall: 11190.3, 0.00302895/step, 1.064 hours remaining, 206.613281 MB of memory in use. ENERGY: 3735400 761.3996 2124.7492 1958.5850 121.6795 -205930.4434 17558.9970 0.0000 0.0000 34173.3569 -149231.6762 298.4444 -183405.0331 -149127.5435 299.2561 -179.0980 -144.0683 558712.0344 5.3854 5.3872 PRESSURE: 3735600 -105.237 27.7731 -37.8461 27.7738 209.857 34.4738 -37.846 34.4739 -394.777 GPRESSURE: 3735600 -24.6349 -14.5291 45.4675 20.0994 189.717 55.1324 -81.5935 4.59075 -342.398 PRESSAVG: 3735600 1.28381 -57.109 2.9231 -57.109 -26.6122 13.7861 2.9231 13.7861 17.9228 GPRESSAVG: 3735600 0.148222 -56.7924 1.50579 -56.8291 -25.734 17.6269 3.4432 11.2371 18.6365 TIMING: 3735600 CPU: 11190.9, 0.00303158/step Wall: 11190.9, 0.00303158/step, 1.06476 hours remaining, 206.613281 MB of memory in use. ENERGY: 3735600 755.7797 2063.6033 1931.5320 118.0837 -206002.7943 17798.7705 0.0000 0.0000 34367.1332 -148967.8919 300.1367 -183335.0251 -148881.3286 299.4866 -96.7188 -59.1052 558072.6591 -2.4685 -2.3164 PRESSURE: 3735800 295.297 1.67856 -157.168 1.68023 -151.216 21.0984 -157.168 21.0986 -0.0639672 GPRESSURE: 3735800 282.286 100.208 -61.8522 37.4608 -98.5432 41.7959 -152.763 -53.1854 51.0321 PRESSAVG: 3735800 83.0732 -5.34919 -12.514 -5.34911 -16.6232 13.4427 -12.514 13.4428 -36.6351 GPRESSAVG: 3735800 83.9129 -3.9035 -13.0482 -5.41094 -17.3523 10.8437 -11.6775 13.7214 -36.7161 TIMING: 3735800 CPU: 11191.5, 0.00302273/step Wall: 11191.5, 0.00302273/step, 1.06148 hours remaining, 206.613281 MB of memory in use. ENERGY: 3735800 754.3085 2053.3539 1946.2015 124.0478 -206265.0624 17935.7098 0.0000 0.0000 34542.3309 -148909.1101 301.6668 -183451.4410 -148815.0883 300.5981 48.0057 78.2583 557648.4486 9.9383 9.9482 PRESSURE: 3736000 6.05742 -110.782 -145.114 -110.782 -136.32 -104.048 -145.114 -104.048 29.2495 GPRESSURE: 3736000 28.3488 -32.9692 -230.454 -88.7019 -104.848 -87.028 -84.3069 -66.1605 85.215 PRESSAVG: 3736000 48.8579 27.0678 -25.1581 27.0678 6.429 17.8767 -25.1581 17.8768 -52.713 GPRESSAVG: 3736000 48.1008 25.1273 -24.687 27.6765 7.86248 20.2384 -26.9401 16.4499 -52.9142 TIMING: 3736000 CPU: 11192.1, 0.00303695/step Wall: 11192.1, 0.00303695/step, 1.06631 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: 3736000 739.3557 2030.6668 1936.9448 114.8424 -205938.4350 17726.4319 0.0000 0.0000 34443.0977 -148947.0957 300.8001 -183390.1934 -148843.9100 300.7245 -33.6709 2.9054 558469.0434 0.8580 1.0164 PRESSURE: 3736200 -5.35229 40.0686 28.7185 40.0679 -292.879 15.7909 28.7176 15.7903 -61.5355 GPRESSURE: 3736200 89.5987 7.09243 87.8318 57.4224 -289.594 -113.807 56.248 59.3929 -60.7193 PRESSAVG: 3736200 29.3508 -13.2298 -13.9995 -13.2298 -33.3269 -0.570685 -13.9995 -0.570699 -49.642 GPRESSAVG: 3736200 30.1729 -12.7771 -12.956 -13.9112 -34.4792 -2.10716 -12.7074 1.59349 -49.3534 TIMING: 3736200 CPU: 11192.7, 0.00302741/step Wall: 11192.7, 0.00302741/step, 1.06279 hours remaining, 206.613281 MB of memory in use. ENERGY: 3736200 788.2276 2144.3904 1928.3337 101.8289 -205711.2048 17594.1635 0.0000 0.0000 34382.8848 -148771.3759 300.2743 -183154.2606 -148676.9093 300.5655 -119.9224 -86.9048 558259.9120 -17.8727 -17.8866 LDB: ============= START OF LOAD BALANCING ============== 11196.1 LDB: ============== END OF LOAD BALANCING =============== 11196.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11196.1 LDB: ============= START OF LOAD BALANCING ============== 11196.4 LDB: Largest compute 4820 load 0.023621 is 20.0% of average load 0.118117 LDB: Average compute 0.001708 is 1.4% of average load 0.118117 LDB: TIME 11196.5 LOAD: AVG 0.118117 MAX 0.219991 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.137 MB LDB: TIME 11196.5 LOAD: AVG 0.118117 MAX 0.219991 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: TIME 11196.5 LOAD: AVG 0.118117 MAX 0.219991 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: ============== END OF LOAD BALANCING =============== 11196.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11196.5 PRESSURE: 3736400 302.721 176.293 103.021 176.292 80.1629 -107.831 103.02 -107.831 176.945 GPRESSURE: 3736400 343.916 97.2732 107.133 162.245 151.004 -33.5865 63.6131 -149.861 160.02 PRESSAVG: 3736400 -50.5383 -8.77313 1.5988 -8.77308 9.19764 28.2738 1.5988 28.2738 -4.23555 GPRESSAVG: 3736400 -50.8433 -8.4373 0.839029 -9.15994 10.3477 27.3189 1.31094 27.6826 -4.85185 TIMING: 3736400 CPU: 11193.3, 0.00307015/step Wall: 11193.3, 0.00307015/step, 1.07762 hours remaining, 206.136719 MB of memory in use. ENERGY: 3736400 752.3520 2043.3522 1918.9103 94.6856 -206168.8964 17981.9017 0.0000 0.0000 34472.0581 -148905.6366 301.0531 -183377.6946 -148802.9097 300.5724 186.6097 218.3133 556310.8593 -15.1921 -15.1158 PRESSURE: 3736600 33.2058 -6.33712 -24.6127 -6.33753 195.085 43.5082 -24.6125 43.508 263.468 GPRESSURE: 3736600 37.5166 60.3208 8.41521 -55.3859 203.837 88.0729 -31.4478 28.6634 333.543 PRESSAVG: 3736600 -8.70273 -14.9963 -8.43578 -14.9962 25.7354 38.1745 -8.43585 38.1744 -23.0205 GPRESSAVG: 3736600 -9.13038 -15.2886 -7.76482 -15.232 25.9205 41.2262 -9.06124 37.617 -22.8243 TIMING: 3736600 CPU: 11193.9, 0.00301928/step Wall: 11193.9, 0.00301928/step, 1.0596 hours remaining, 206.136719 MB of memory in use. ENERGY: 3736600 765.5032 2113.4138 1927.6514 105.0013 -206573.2774 18012.0920 0.0000 0.0000 34696.8461 -148952.7694 303.0162 -183649.6155 -148855.5125 300.5690 163.9196 191.6321 556815.1630 -1.9960 -2.0114 PRESSURE: 3736800 -210.622 -68.2948 209.378 -68.2949 -60.7323 -8.0233 209.378 -8.02401 -5.93625 GPRESSURE: 3736800 -131.569 -26.7121 181.284 -16.7188 -24.561 71.8822 212.758 -51.6794 -30.6067 PRESSAVG: 3736800 21.1255 -31.3004 -23.5666 -31.3005 -9.80397 21.5683 -23.5666 21.5683 46.4863 GPRESSAVG: 3736800 21.7194 -29.4964 -24.019 -30.9708 -10.1625 20.5281 -23.4826 22.6655 46.0429 TIMING: 3736800 CPU: 11194.5, 0.00301897/step Wall: 11194.5, 0.00301897/step, 1.05932 hours remaining, 206.136719 MB of memory in use. ENERGY: 3736800 750.5220 2114.7439 1937.2516 115.7526 -205709.7217 17569.2997 0.0000 0.0000 34202.6394 -149019.5126 298.7002 -183222.1520 -148921.8060 299.8940 -92.4301 -62.2457 559516.5009 19.2693 19.1999 PRESSURE: 3737000 -172.344 104.732 -40.5865 104.733 -55.6436 74.3789 -40.5866 74.3797 -211.553 GPRESSURE: 3737000 -206.433 -59.4567 -51.2945 74.4295 -28.1094 -12.9335 24.4458 148.396 -119.567 PRESSAVG: 3737000 -69.3005 -39.964 -32.0739 -39.964 1.59579 19.6357 -32.0738 19.6358 25.187 GPRESSAVG: 3737000 -69.9693 -41.0186 -30.5949 -39.0296 2.11114 18.6841 -33.6458 18.8926 25.7015 TIMING: 3737000 CPU: 11195.1, 0.00303459/step Wall: 11195.1, 0.00303459/step, 1.06464 hours remaining, 206.136719 MB of memory in use. ENERGY: 3737000 738.4517 2104.1549 1940.0785 122.8817 -206042.0519 17571.6517 0.0000 0.0000 34383.6307 -149181.2027 300.2808 -183564.8334 -149079.8059 299.3971 -146.5136 -118.0367 558095.3807 -14.1725 -14.0522 PRESSURE: 3737200 69.6462 -35.0523 1.19471 -35.0523 -68.4076 -29.3992 1.19317 -29.3987 -151.478 GPRESSURE: 3737200 88.6164 27.9379 50.912 -0.429035 -12.1915 -105.978 -29.4105 -18.2537 -132.097 PRESSAVG: 3737200 12.6075 7.56645 18.1999 7.56647 -24.7362 45.2772 18.1998 45.2771 25.0474 GPRESSAVG: 3737200 13.7278 7.33344 16.9535 6.90073 -26.2243 44.7331 19.6934 46.9217 25.3152 TIMING: 3737200 CPU: 11195.7, 0.00301375/step Wall: 11195.7, 0.00301375/step, 1.05716 hours remaining, 206.136719 MB of memory in use. ENERGY: 3737200 740.2922 2087.7975 1931.9713 113.1385 -206070.7972 17808.9669 0.0000 0.0000 34147.9467 -149240.6842 298.2225 -183388.6309 -149140.1295 298.7357 -50.0799 -18.5575 559470.9835 4.3062 4.2729 PRESSURE: 3737400 -332.261 59.5236 42.1397 59.5237 -91.2591 59.3609 42.139 59.3612 -62.5121 GPRESSURE: 3737400 -246.992 111.417 119.857 55.207 -13.312 108.172 -3.80033 7.0171 -130.55 PRESSAVG: 3737400 14.2711 -9.92516 -2.61022 -9.92519 -5.06359 -23.4815 -2.61019 -23.4815 -37.3181 GPRESSAVG: 3737400 14.3451 -10.1718 -3.96567 -8.88681 -4.88077 -21.6177 -2.05016 -25.506 -38.1438 TIMING: 3737400 CPU: 11196.3, 0.00301046/step Wall: 11196.3, 0.00301046/step, 1.05584 hours remaining, 206.136719 MB of memory in use. ENERGY: 3737400 789.1018 2079.7133 1940.3393 111.6628 -206298.3915 17689.8988 0.0000 0.0000 34359.9945 -149327.6810 300.0744 -183687.6755 -149224.6421 299.0227 -162.0107 -130.2848 558389.3521 -9.3702 -9.5598 PRESSURE: 3737600 -129.269 -167.923 -14.6576 -167.923 -27.82 -102.212 -14.6576 -102.213 -45.8957 GPRESSURE: 3737600 -127.864 -178.194 -38.0888 -125.468 -21.2794 -134.792 12.2453 -54.6714 32.8978 PRESSAVG: 3737600 -41.3484 -5.68375 14.0707 -5.6837 -10.3581 30.2969 14.0707 30.2968 32.8996 GPRESSAVG: 3737600 -41.7836 -5.10005 14.8573 -6.41694 -10.3661 29.2184 13.0156 31.6779 33.2387 TIMING: 3737600 CPU: 11197, 0.00303957/step Wall: 11197, 0.00303957/step, 1.06587 hours remaining, 206.136719 MB of memory in use. ENERGY: 3737600 729.8635 2081.8320 1949.1371 119.5632 -206303.4420 17692.9205 0.0000 0.0000 34363.8501 -149366.2757 300.1080 -183730.1258 -149271.3204 298.8293 -67.6616 -38.7485 558093.3275 -6.2690 -6.3037 PRESSURE: 3737800 128.99 12.2521 63.6651 12.2524 -214.009 62.2284 63.6655 62.2286 -219.694 GPRESSURE: 3737800 115.006 35.3763 60.7997 2.20379 -189.278 77.2127 28.207 141.518 -139.5 PRESSAVG: 3737800 13.5778 14.4508 50.2949 14.4508 -12.6338 -31.0273 50.2949 -31.0273 3.28618 GPRESSAVG: 3737800 13.0674 14.7785 50.1031 12.5242 -12.1749 -30.9542 52.0706 -32.0654 3.13824 TIMING: 3737800 CPU: 11197.6, 0.00302101/step Wall: 11197.6, 0.00302101/step, 1.0592 hours remaining, 206.136719 MB of memory in use. ENERGY: 3737800 745.4835 2139.3677 1944.8481 110.9433 -206144.6145 17745.2265 0.0000 0.0000 34181.3554 -149277.3899 298.5143 -183458.7454 -149178.7451 298.6886 -101.5712 -71.2575 559091.1372 1.4101 1.3436 PRESSURE: 3738000 65.6573 116.433 -2.74501 116.433 118.783 63.5428 -2.74461 63.543 5.59528 GPRESSURE: 3738000 107.481 168.743 -24.9374 158.217 147.439 24.1951 28.3866 96.2213 29.2364 PRESSAVG: 3738000 9.18028 27.908 -29.1709 27.9081 10.1381 -7.73751 -29.171 -7.73759 -15.8869 GPRESSAVG: 3738000 8.93135 28.927 -28.1717 28.9941 10.6175 -6.17 -31.262 -7.0907 -16.4085 TIMING: 3738000 CPU: 11198.2, 0.00301703/step Wall: 11198.2, 0.00301703/step, 1.05764 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: 3738000 731.0496 2086.8200 1940.9100 114.1729 -206740.7832 18191.5886 0.0000 0.0000 34216.5944 -149459.6477 298.8220 -183676.2421 -149363.5385 298.8610 63.3451 94.7188 557605.1568 1.1438 1.0468 PRESSURE: 3738200 149.395 69.5251 64.4383 69.5249 -221.45 -144.527 64.4377 -144.528 122.131 GPRESSURE: 3738200 134.684 93.5808 63.9317 -1.79726 -173.498 -109.906 40.4137 -133.352 181.144 PRESSAVG: 3738200 -17.2497 26.9732 17.9136 26.9732 -22.9515 -9.45766 17.9137 -9.4577 39.6243 GPRESSAVG: 3738200 -17.3814 23.5581 18.1532 27.5154 -23.0493 -11.2164 20.0154 -9.34733 39.7297 TIMING: 3738200 CPU: 11198.8, 0.00302843/step Wall: 11198.8, 0.00302843/step, 1.06146 hours remaining, 206.136719 MB of memory in use. ENERGY: 3738200 747.6947 2118.8175 1933.9313 100.0355 -206103.9188 17740.4377 0.0000 0.0000 34175.5423 -149287.4598 298.4635 -183463.0020 -149191.3379 298.7663 16.6920 47.4435 557140.4951 -0.1923 -0.2337 PRESSURE: 3738400 -109.069 -96.6023 117.595 -96.6033 -216.275 34.602 117.595 34.6033 -100.084 GPRESSURE: 3738400 -40.0666 -121.542 38.1492 -133.525 -229.931 83.637 147.827 23.301 -71.0909 PRESSAVG: 3738400 41.2257 12.6706 27.1492 12.6707 -36.2436 27.9205 27.1491 27.9204 8.86461 GPRESSAVG: 3738400 42.4033 14.7536 26.5647 12.7441 -37.3961 27.462 25.5504 26.3152 8.6681 TIMING: 3738400 CPU: 11199.4, 0.00303267/step Wall: 11199.4, 0.00303267/step, 1.06278 hours remaining, 206.136719 MB of memory in use. ENERGY: 3738400 740.1865 2094.2282 1938.1781 111.7556 -205933.3922 17483.1801 0.0000 0.0000 34133.4460 -149432.4178 298.0959 -183565.8638 -149337.4323 298.1706 -141.8094 -113.6963 557054.9334 4.6156 4.5584 PRESSURE: 3738600 149.824 119.726 -16.9405 119.725 100.408 60.4095 -16.9403 60.4091 62.1263 GPRESSURE: 3738600 155.091 126.719 75.5705 81.2674 154.097 88.4216 -77.688 53.3916 98.3261 PRESSAVG: 3738600 5.69204 54.5504 27.1726 54.5505 26.8787 4.61414 27.1728 4.61413 -33.6485 GPRESSAVG: 3738600 5.14756 55.4042 25.6045 54.2677 27.5685 6.03021 28.4154 4.78936 -32.9885 TIMING: 3738600 CPU: 11200, 0.00305586/step Wall: 11200, 0.00305586/step, 1.07074 hours remaining, 206.136719 MB of memory in use. ENERGY: 3738600 764.5001 2084.4057 1911.1342 107.7716 -206657.7468 18127.0178 0.0000 0.0000 34301.7424 -149361.1750 299.5656 -183662.9174 -149265.8133 298.6747 104.1192 135.8383 557496.3991 -0.3593 -0.0908 PRESSURE: 3738800 -251.305 -29.1381 -75.0884 -29.1389 12.6569 147.86 -75.0869 147.859 -67.2625 GPRESSURE: 3738800 -194.725 -88.7968 -107.285 -25.7431 78.4526 168.96 -96.3367 227.433 -99.8043 PRESSAVG: 3738800 45.8105 16.9279 -10.2932 16.9279 3.2841 -23.5659 -10.2931 -23.566 -35.0108 GPRESSAVG: 3738800 47.0186 16.0472 -7.65926 17.3744 3.95946 -24.5702 -10.6859 -23.0591 -36.8575 TIMING: 3738800 CPU: 11200.6, 0.00307122/step Wall: 11200.6, 0.00307122/step, 1.07595 hours remaining, 206.136719 MB of memory in use. ENERGY: 3738800 720.3488 2105.3541 1925.8877 119.8210 -205744.3623 17617.4180 0.0000 0.0000 33812.1941 -149443.3385 295.2903 -183255.5326 -149348.4893 298.3158 -101.9702 -72.0256 559537.3327 4.6946 4.7068 PRESSURE: 3739000 -94.1374 6.40529 -61.9942 6.40665 84.9912 19.1493 -61.9957 19.1485 -25.7223 GPRESSURE: 3739000 -73.9454 -6.27866 -46.2503 -14.2374 101.3 17.4682 -31.0371 41.6011 23.2889 PRESSAVG: 3739000 49.0266 48.3804 -17.1936 48.3804 6.96986 20.6074 -17.1938 20.6072 -52.2356 GPRESSAVG: 3739000 47.3596 48.6294 -19.4261 49.0153 7.78335 21.0301 -14.9374 20.5471 -50.8383 TIMING: 3739000 CPU: 11201.2, 0.00308282/step Wall: 11201.2, 0.00308282/step, 1.07984 hours remaining, 206.136719 MB of memory in use. ENERGY: 3739000 741.7194 2085.1764 1905.3517 108.8319 -206431.1502 17830.5688 0.0000 0.0000 34264.3248 -149495.1772 299.2389 -183759.5020 -149401.9069 298.4125 -11.6228 16.8813 557977.7695 1.2536 1.4349 PRESSURE: 3739200 -25.2584 103.65 -86.9596 103.651 238.929 -97.6764 -86.9593 -97.6761 117.76 GPRESSURE: 3739200 45.4759 39.6623 -60.0595 79.9933 246.748 -117.257 -19.8179 -95.3679 155.507 PRESSAVG: 3739200 -14.7549 -5.71894 -16.4464 -5.71885 60.9599 38.1484 -16.4464 38.1485 -13.6838 GPRESSAVG: 3739200 -12.9358 -9.60519 -17.2072 -5.1053 60.6237 38.312 -16.6056 37.7313 -14.4802 TIMING: 3739200 CPU: 11201.8, 0.00306581/step Wall: 11201.8, 0.00306581/step, 1.07371 hours remaining, 206.136719 MB of memory in use. ENERGY: 3739200 742.2076 2124.0938 1930.7273 128.7518 -206547.5901 18026.2764 0.0000 0.0000 34319.4939 -149276.0392 299.7207 -183595.5332 -149182.3987 299.2263 110.4767 149.2438 556418.3196 10.8404 11.0692 PRESSURE: 3739400 47.8723 -150.858 14.3327 -150.859 13.1394 -163.106 14.333 -163.105 75.1119 GPRESSURE: 3739400 71.8641 -110.651 42.8898 -80.6653 83.3184 -133.318 -66.0378 -228.906 90.3047 PRESSAVG: 3739400 -25.8756 -15.7271 -17.9254 -15.7272 -14.8917 -14.402 -17.9254 -14.4021 48.5 GPRESSAVG: 3739400 -26.641 -11.1785 -16.7839 -15.3163 -14.2986 -13.6886 -21.1028 -14.6815 49.1712 TIMING: 3739400 CPU: 11202.4, 0.00306385/step Wall: 11202.4, 0.00306385/step, 1.07286 hours remaining, 206.136719 MB of memory in use. ENERGY: 3739400 752.7408 2129.5127 1933.6726 116.7366 -206071.9852 17724.6336 0.0000 0.0000 34235.1851 -149179.5037 298.9844 -183414.6889 -149080.9976 299.8701 45.3745 81.8291 555503.3101 2.5776 2.7439 PRESSURE: 3739600 -102.119 -79.7649 -111.035 -79.7651 -183.35 6.60701 -111.033 6.60601 -274.335 GPRESSURE: 3739600 -126.605 -93.5161 -13.986 -55.3681 -114.075 -71.235 -140.118 -35.93 -237.579 PRESSAVG: 3739600 -14.5942 28.0881 -38.9198 28.0881 23.546 16.7072 -38.9197 16.7072 15.4508 GPRESSAVG: 3739600 -16.0421 26.3684 -39.9443 27.3208 23.6094 14.3657 -36.0314 19.3745 16.3826 TIMING: 3739600 CPU: 11203, 0.00301214/step Wall: 11203, 0.00301214/step, 1.05458 hours remaining, 206.136719 MB of memory in use. ENERGY: 3739600 773.5471 2163.0288 1944.1556 115.1261 -206252.8904 17722.3126 0.0000 0.0000 34396.2482 -149138.4720 300.3910 -183534.7201 -149039.1263 299.8750 -186.6014 -159.4195 558245.3320 8.1342 7.9833 PRESSURE: 3739800 -223.324 91.3486 -73.1602 91.3475 -33.5741 162.445 -73.1604 162.445 -148.67 GPRESSURE: 3739800 -179.007 167.037 -54.4534 -51.6407 -19.1125 130.955 -138.06 47.9199 -111.392 PRESSAVG: 3739800 43.9623 -14.7089 13.7012 -14.709 74.8836 3.1712 13.7013 3.17124 -59.0468 GPRESSAVG: 3739800 47.0753 -14.2878 14.4434 -15.0208 74.475 2.83227 10.5036 3.32327 -61.4988 TIMING: 3739800 CPU: 11203.7, 0.00302378/step Wall: 11203.7, 0.00302378/step, 1.05849 hours remaining, 206.136719 MB of memory in use. ENERGY: 3739800 758.5662 2060.6172 1924.2518 97.3029 -205928.2627 17600.4016 0.0000 0.0000 34330.0452 -149157.0778 299.8128 -183487.1230 -149061.9288 300.3476 -135.1894 -103.1704 558178.3383 19.9330 20.0172 PRESSURE: 3740000 -60.8294 -92.7682 105.835 -92.7682 -127.784 69.6583 105.834 69.6576 -185.952 GPRESSURE: 3740000 0.49724 -88.7476 61.0013 -48.0519 -90.9266 34.9863 48.0671 54.5733 -183.516 PRESSAVG: 3740000 -10.5355 10.4169 -0.37656 10.4169 15.5789 2.91104 -0.376477 2.91097 38.2731 GPRESSAVG: 3740000 -10.9651 12.8448 -1.25318 9.75937 15.4722 4.87448 3.01066 1.7881 38.8981 TIMING: 3740000 CPU: 11204.3, 0.00301707/step Wall: 11204.3, 0.00301707/step, 1.05597 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: 3740000 731.7564 2059.4843 1925.2716 126.6631 -205880.8728 17652.9594 0.0000 0.0000 34304.6544 -149080.0836 299.5911 -183384.7380 -148982.7600 299.5727 -124.8551 -91.3152 557281.5441 14.4389 14.4684 PRESSURE: 3740200 -76.9528 62.9738 255.081 62.9731 -312.841 -65.5204 255.081 -65.5203 -108.653 GPRESSURE: 3740200 -63.324 17.6196 224.76 38.1777 -278.702 -113.054 315.66 -12.9468 -73.1873 PRESSAVG: 3740200 28.9581 -3.33271 9.32241 -3.33286 6.65314 -34.4333 9.32247 -34.4335 -23.0835 GPRESSAVG: 3740200 28.1033 -5.13654 8.07127 -1.62632 6.68909 -34.9639 9.99589 -33.3464 -22.7706 TIMING: 3740200 CPU: 11204.9, 0.00301395/step Wall: 11204.9, 0.00301395/step, 1.05471 hours remaining, 206.136719 MB of memory in use. ENERGY: 3740200 728.2577 2101.7856 1929.2062 121.5194 -205811.6364 17672.7815 0.0000 0.0000 34304.2177 -148953.8681 299.5873 -183258.0859 -148860.7119 299.3696 -166.1489 -138.4045 558845.4344 4.1759 4.0073 LDB: ============= START OF LOAD BALANCING ============== 11208.3 LDB: ============== END OF LOAD BALANCING =============== 11208.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11208.3 LDB: ============= START OF LOAD BALANCING ============== 11208.6 LDB: Largest compute 4820 load 0.024184 is 20.5% of average load 0.118125 LDB: Average compute 0.001706 is 1.4% of average load 0.118125 LDB: TIME 11208.6 LOAD: AVG 0.118125 MAX 0.223329 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.812 MB LDB: TIME 11208.6 LOAD: AVG 0.118125 MAX 0.223329 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.875 MB LDB: TIME 11208.6 LOAD: AVG 0.118125 MAX 0.223329 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.875 MB LDB: ============== END OF LOAD BALANCING =============== 11208.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11208.6 PRESSURE: 3740400 -77.7301 -6.35355 -1.65191 -6.35293 41.5182 -83.2959 -1.65294 -83.2972 -329.035 GPRESSURE: 3740400 -86.829 -73.7461 15.8607 -41.8786 81.1303 -62.7858 -5.84923 -55.498 -278.211 PRESSAVG: 3740400 19.1595 4.38855 -32.7483 4.38845 45.3541 -18.0529 -32.7483 -18.0528 -49.1069 GPRESSAVG: 3740400 19.1439 3.32416 -32.5703 4.11062 45.3206 -16.9604 -34.7466 -18.1761 -49.2118 TIMING: 3740400 CPU: 11205.5, 0.00308862/step Wall: 11205.5, 0.00308862/step, 1.08067 hours remaining, 206.132812 MB of memory in use. ENERGY: 3740400 804.5745 2134.8435 1922.9712 133.1485 -206254.0781 17894.4379 0.0000 0.0000 34369.9196 -148994.1828 300.1611 -183364.1025 -148899.4475 299.9129 -121.7490 -94.6367 558185.1371 5.1356 5.0842 PRESSURE: 3740600 133.561 32.2342 -75.8052 32.2334 178.37 -53.632 -75.8058 -53.6317 330.426 GPRESSURE: 3740600 150.926 -24.8162 -53.9462 76.8038 201.794 -81.6481 -173.265 -107.63 372.831 PRESSAVG: 3740600 -42.3824 -10.7769 1.55361 -10.7767 34.3468 11.3263 1.55355 11.3263 23.6759 GPRESSAVG: 3740600 -43.5237 -9.50939 1.16241 -13.2607 33.5718 11.9839 0.619582 9.36547 24.7464 TIMING: 3740600 CPU: 11206.1, 0.00304183/step Wall: 11206.1, 0.00304183/step, 1.06413 hours remaining, 206.273438 MB of memory in use. ENERGY: 3740600 721.2665 2157.5977 1953.5882 130.1889 -206535.5512 18221.3126 0.0000 0.0000 34167.2939 -149184.3033 298.3915 -183351.5972 -149095.9422 299.1157 214.1190 241.8504 557875.6143 5.2134 4.9315 PRESSURE: 3740800 -140.688 -130.766 -119.255 -130.765 -31.3266 103.532 -119.255 103.532 -340.676 GPRESSURE: 3740800 -119.823 -120.628 -119.099 -102.607 56.1974 60.0986 -176.942 73.744 -348.838 PRESSAVG: 3740800 41.6163 -25.3791 -29.8327 -25.3791 7.6459 2.64546 -29.8326 2.6454 -24.9391 GPRESSAVG: 3740800 42.4839 -26.4159 -28.3484 -22.289 8.63387 1.43233 -31.8844 3.41153 -26.4378 TIMING: 3740800 CPU: 11206.7, 0.00303767/step Wall: 11206.7, 0.00303767/step, 1.06251 hours remaining, 206.273438 MB of memory in use. ENERGY: 3740800 769.3759 2110.2427 1941.9825 113.1033 -206090.6518 17719.4399 0.0000 0.0000 34428.5479 -149007.9597 300.6731 -183436.5076 -148907.3535 300.0108 -170.8970 -137.4878 558299.7249 8.1077 8.2267 PRESSURE: 3741000 -176.159 70.1953 -18.3327 70.1946 -329.629 194.201 -18.3321 194.202 -251.891 GPRESSURE: 3741000 -103.648 2.31043 38.601 138.884 -338.226 189.927 -63.3511 257.649 -219.972 PRESSAVG: 3741000 64.805 -21.0823 -14.5901 -21.0822 62.6503 -34.0113 -14.5901 -34.0112 -90.9916 GPRESSAVG: 3741000 66.1797 -22.7156 -13.7153 -21.9221 61.1483 -35.6176 -12.4666 -32.409 -91.1333 TIMING: 3741000 CPU: 11207.3, 0.00303356/step Wall: 11207.3, 0.00303356/step, 1.0609 hours remaining, 206.273438 MB of memory in use. ENERGY: 3741000 755.7125 2122.9216 1967.5102 127.7318 -205826.1664 17517.8234 0.0000 0.0000 34297.9303 -149036.5367 299.5324 -183334.4670 -148940.5503 300.0134 -252.5598 -220.6155 558791.0677 12.1546 12.0649 PRESSURE: 3741200 47.6868 -7.70003 15.5153 -7.70171 253.147 69.4479 15.5144 69.4486 -90.5361 GPRESSURE: 3741200 47.2546 -52.784 111.539 -33.4711 292.765 71.6745 28.353 76.5308 -36.8018 PRESSAVG: 3741200 16.637 -39.024 10.7939 -39.024 13.1047 7.49681 10.7938 7.4967 -60.6511 GPRESSAVG: 3741200 15.4628 -37.5176 9.07318 -39.7535 14.0561 8.33149 11.1241 6.38472 -59.8223 TIMING: 3741200 CPU: 11207.9, 0.00302024/step Wall: 11207.9, 0.00302024/step, 1.05608 hours remaining, 206.273438 MB of memory in use. ENERGY: 3741200 778.9461 2116.5203 1919.8310 108.5876 -206293.8168 18029.4337 0.0000 0.0000 34346.4077 -148994.0904 299.9557 -183340.4981 -148896.4090 299.9177 70.0992 101.0726 557646.9902 -10.3031 -10.1012 PRESSURE: 3741400 -215.074 -66.1218 66.7585 -66.1219 -117.755 121.445 66.7584 121.445 162.706 GPRESSURE: 3741400 -202.127 -51.5558 29.5924 -123.623 -65.6919 92.6755 42.5944 100.324 192.435 PRESSAVG: 3741400 -36.7582 -16.714 20.6086 -16.714 27.5157 24.9123 20.6087 24.9121 10.0652 GPRESSAVG: 3741400 -36.3936 -16.9355 20.1625 -17.298 26.9383 25.7796 20.1202 25.7862 10.1139 TIMING: 3741400 CPU: 11208.5, 0.00300478/step Wall: 11208.5, 0.00300478/step, 1.0505 hours remaining, 206.273438 MB of memory in use. ENERGY: 3741400 773.0816 2038.8983 1940.3693 116.6862 -205989.4593 17747.3506 0.0000 0.0000 34528.4571 -148844.6163 301.5456 -183373.0734 -148741.6768 300.2807 -56.7078 -25.1279 558134.6228 0.2742 0.2196 PRESSURE: 3741600 123.437 60.2254 161.429 60.2257 100.729 184.203 161.428 184.202 38.0954 GPRESSURE: 3741600 193.462 158.184 186.766 -22.1033 85.9263 189.5 194.043 129.466 78.1654 PRESSAVG: 3741600 -81.221 -0.717869 47.3913 -0.717818 27.2634 28.9327 47.3914 28.9328 78.1477 GPRESSAVG: 3741600 -81.1775 0.281068 48.9731 -0.251692 27.6939 28.9322 47.0417 29.9666 78.0397 TIMING: 3741600 CPU: 11209.1, 0.00300357/step Wall: 11209.1, 0.00300357/step, 1.04992 hours remaining, 206.273438 MB of memory in use. ENERGY: 3741600 707.8846 2100.4180 1944.8812 117.2738 -206091.8711 17950.5374 0.0000 0.0000 34228.3989 -149042.4773 298.9251 -183270.8762 -148943.7722 300.1101 87.4203 119.1847 558895.9700 8.0634 8.1854 PRESSURE: 3741800 -148.501 41.422 -98.1856 41.4225 191.907 25.2287 -98.1844 25.229 72.6511 GPRESSURE: 3741800 -99.0435 79.197 -118.759 10.3892 194.706 63.7683 -13.7942 87.1456 115.659 PRESSAVG: 3741800 -19.3491 32.8501 -20.3128 32.8502 -18.1915 44.9102 -20.3128 44.9103 23.5494 GPRESSAVG: 3741800 -19.0062 32.1689 -22.2572 33.7633 -18.2465 46.1035 -18.1161 43.6472 23.1555 TIMING: 3741800 CPU: 11209.7, 0.00301118/step Wall: 11209.7, 0.00301118/step, 1.05241 hours remaining, 206.273438 MB of memory in use. ENERGY: 3741800 740.1434 2100.4855 1977.0785 132.2105 -206111.7098 18057.5387 0.0000 0.0000 34200.5454 -148903.7079 298.6819 -183104.2532 -148812.2876 299.4832 38.6857 70.4405 559571.4281 -4.6637 -4.6991 PRESSURE: 3742000 57.2381 122.136 97.3085 122.136 -79.6383 284.94 97.3078 284.941 52.9259 GPRESSURE: 3742000 59.5211 105.629 132.326 107.779 -1.38978 267.499 35.4603 280.624 64.1692 PRESSAVG: 3742000 -9.48224 -5.15079 57.6622 -5.15082 66.0266 19.0076 57.6621 19.0074 -38.1325 GPRESSAVG: 3742000 -9.23286 -4.92876 59.3287 -6.13659 66.3524 17.5415 56.8665 18.8454 -38.6778 TIMING: 3742000 CPU: 11210.3, 0.00301194/step Wall: 11210.3, 0.00301194/step, 1.05251 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: 3742000 797.4714 2122.2168 1913.9989 112.2696 -206205.1679 17866.2571 0.0000 0.0000 34302.9577 -149089.9964 299.5763 -183392.9542 -148993.0765 300.0614 10.1752 40.7668 557021.7817 6.1373 6.1472 PRESSURE: 3742200 52.1706 -18.1384 47.8815 -18.1373 -130.389 77.9659 47.8822 77.9675 -173.329 GPRESSURE: 3742200 68.6289 29.3662 -17.0831 -22.2802 -102.981 8.44598 38.7153 102.445 -119.159 PRESSAVG: 3742200 67.8345 43.688 48.5872 43.6881 -45.6366 47.399 48.5871 47.3991 -78.3941 GPRESSAVG: 3742200 67.5199 44.8918 47.3281 43.9023 -46.1496 46.8906 48.3377 48.34 -77.5764 TIMING: 3742200 CPU: 11210.9, 0.00301773/step Wall: 11210.9, 0.00301773/step, 1.05436 hours remaining, 206.273438 MB of memory in use. ENERGY: 3742200 751.8716 2068.7408 1942.8452 119.2204 -206225.2380 17891.3883 0.0000 0.0000 34397.9403 -149053.2315 300.4058 -183451.1718 -148954.7366 299.7830 -83.8491 -51.1705 558353.0858 -18.7321 -18.7354 PRESSURE: 3742400 -412.723 98.7335 40.6819 98.7328 -259.336 -26.3687 40.6818 -26.3676 -343.147 GPRESSURE: 3742400 -361.875 165.024 73.3372 40.8493 -219.542 -95.6626 15.458 11.9094 -338.176 PRESSAVG: 3742400 75.4146 60.2512 37.0327 60.2511 33.3533 10.7462 37.0329 10.7461 -57.7843 GPRESSAVG: 3742400 76.2313 58.6886 37.135 61.3856 31.9993 9.99839 37.5099 9.32345 -56.9672 TIMING: 3742400 CPU: 11211.5, 0.00306083/step Wall: 11211.5, 0.00306083/step, 1.06925 hours remaining, 206.273438 MB of memory in use. ENERGY: 3742400 755.4962 2039.2603 1925.1381 112.1719 -205829.7925 17373.1820 0.0000 0.0000 34402.1855 -149222.3587 300.4428 -183624.5441 -149122.8317 300.3006 -338.4021 -306.5307 558425.0470 16.9945 17.0878 PRESSURE: 3742600 120.53 -40.3935 -31.1713 -40.3923 -6.31505 -49.0715 -31.1714 -49.0701 247.102 GPRESSURE: 3742600 142.609 -97.7615 14.4728 -38.4708 29.6647 -44.6934 -91.8817 -140.198 285.955 PRESSAVG: 3742600 7.54373 -45.0119 36.5882 -45.012 24.8665 7.65293 36.5882 7.65295 -7.43575 GPRESSAVG: 3742600 6.40477 -43.4101 36.9619 -45.0901 26.0523 9.28806 35.5362 7.89402 -8.07097 TIMING: 3742600 CPU: 11212.1, 0.00305684/step Wall: 11212.1, 0.00305684/step, 1.06769 hours remaining, 206.273438 MB of memory in use. ENERGY: 3742600 756.3021 2096.5121 1952.6789 125.2884 -206535.7945 18002.3271 0.0000 0.0000 34243.9817 -149358.7043 299.0612 -183602.6860 -149265.7123 299.5639 120.4389 152.7426 555881.2414 8.3248 8.1287 PRESSURE: 3742800 -253.752 103.509 14.0048 103.51 -291.704 -63.3314 14.0049 -63.3309 -293.599 GPRESSURE: 3742800 -178.432 152.137 5.86407 148.834 -254.264 6.6961 10.9978 -82.9671 -309.367 PRESSAVG: 3742800 -4.58396 -5.78372 -14.2771 -5.78362 40.4925 -16.514 -14.2771 -16.5139 -82.1147 GPRESSAVG: 3742800 -5.23634 -5.99129 -16.2655 -7.61583 41.837 -15.6665 -13.6151 -18.3094 -81.9099 TIMING: 3742800 CPU: 11212.7, 0.00305801/step Wall: 11212.7, 0.00305801/step, 1.06793 hours remaining, 206.273438 MB of memory in use. ENERGY: 3742800 754.5639 2099.1314 1960.2054 116.7581 -205718.2872 17593.3211 0.0000 0.0000 33975.0150 -149219.2922 296.7123 -183194.3072 -149119.1811 299.5129 -279.6848 -247.3543 558932.5964 -15.4020 -15.1031 PRESSURE: 3743000 -48.7016 -22.6139 136.04 -22.6142 304.658 58.4506 136.04 58.4502 -176.403 GPRESSURE: 3743000 -5.31448 -60.8671 162.842 -97.5687 342.375 52.3677 94.8321 42.5861 -178.099 PRESSAVG: 3743000 5.45408 -31.5618 15.0916 -31.5618 65.1275 -28.3463 15.0917 -28.3463 -91.161 GPRESSAVG: 3743000 6.67274 -31.1423 17.2836 -31.4396 63.9914 -28.6959 12.8115 -27.9088 -91.848 TIMING: 3743000 CPU: 11213.4, 0.00308144/step Wall: 11213.4, 0.00308144/step, 1.07594 hours remaining, 206.273438 MB of memory in use. ENERGY: 3743000 692.6599 2165.6045 1938.0779 127.6585 -206191.6815 17857.7124 0.0000 0.0000 34223.7594 -149186.2090 298.8846 -183409.9684 -149094.2291 299.0013 26.5179 52.9873 558288.9229 -6.8598 -7.0613 PRESSURE: 3743200 501.129 40.3988 -17.3354 40.3985 127.248 -66.0242 -17.3367 -66.0214 -94.8699 GPRESSURE: 3743200 495.564 41.8219 -23.245 120.362 179.921 -1.37923 97.4648 -72.4669 -54.1902 PRESSAVG: 3743200 81.1235 34.3129 74.7962 34.3129 14.265 -31.1657 74.7961 -31.1656 -29.3966 GPRESSAVG: 3743200 80.899 31.7651 72.7915 37.2943 14.8893 -29.194 77.4922 -31.6928 -29.5841 TIMING: 3743200 CPU: 11214, 0.00306347/step Wall: 11214, 0.00306347/step, 1.06949 hours remaining, 206.273438 MB of memory in use. ENERGY: 3743200 762.3447 2093.5553 1944.6341 114.3095 -206407.2688 18011.5862 0.0000 0.0000 34189.9457 -149290.8934 298.5893 -183480.8390 -149193.5455 299.5690 177.8357 207.0982 557000.3720 21.9973 22.0680 PRESSURE: 3743400 -39.7419 -65.8712 229.976 -65.8724 -51.3784 49.8391 229.977 49.8383 -448.941 GPRESSURE: 3743400 -18.6746 -38.426 303.012 -66.5151 -89.2593 47.9522 160.303 13.9923 -336.527 PRESSAVG: 3743400 61.8332 -5.53191 22.4167 -5.5318 41.2721 -18.5244 22.4167 -18.5244 -101.998 GPRESSAVG: 3743400 60.3825 -5.43675 24.0246 -5.75746 41.6868 -19.5401 22.7211 -15.8253 -101.319 TIMING: 3743400 CPU: 11214.6, 0.00305366/step Wall: 11214.6, 0.00305366/step, 1.0659 hours remaining, 206.273438 MB of memory in use. ENERGY: 3743400 734.5693 2173.7582 1921.2812 113.5328 -206141.3968 17615.8714 0.0000 0.0000 34266.6527 -149315.7313 299.2592 -183582.3840 -149224.3340 298.8227 -180.0203 -148.1538 557682.6888 0.3692 0.2501 PRESSURE: 3743600 157.581 1.41804 60.7531 1.41824 -67.9908 -95.5286 60.7542 -95.5286 -22.3253 GPRESSURE: 3743600 99.5915 -32.7852 77.1617 27.6612 -2.03964 -65.9784 80.6964 -51.1195 55.9045 PRESSAVG: 3743600 68.3882 -3.84514 58.7666 -3.84505 -26.8489 35.0314 58.7665 35.0314 -4.21148 GPRESSAVG: 3743600 68.9205 -2.82165 56.0793 -6.96318 -26.9663 33.1379 59.6887 35.6329 -4.37628 TIMING: 3743600 CPU: 11215.2, 0.00309172/step Wall: 11215.2, 0.00309172/step, 1.07901 hours remaining, 206.273438 MB of memory in use. ENERGY: 3743600 723.1949 2149.6589 1949.2605 117.7984 -206364.0511 17720.6291 0.0000 0.0000 34164.2798 -149539.2294 298.3652 -183703.5092 -149444.4607 299.1445 22.4216 51.1521 557098.6983 12.4426 12.5260 PRESSURE: 3743800 -37.2872 0.00670766 -30.6245 0.00580759 -208.376 -44.1519 -30.6244 -44.1531 -105.641 GPRESSURE: 3743800 6.91503 -28.2396 3.85798 -22.8865 -161.599 -55.286 -149.883 -65.9574 -87.1276 PRESSAVG: 3743800 19.6305 24.5241 52.1286 24.5241 -12.6954 -42.182 52.1286 -42.182 -15.0759 GPRESSAVG: 3743800 20.5301 26.7421 54.0473 24.3606 -12.7437 -40.6131 50.5555 -44.1588 -15.2709 TIMING: 3743800 CPU: 11215.8, 0.00305988/step Wall: 11215.8, 0.00305988/step, 1.06773 hours remaining, 206.273438 MB of memory in use. ENERGY: 3743800 768.1915 2045.2440 1943.0038 111.0887 -206419.1211 17823.3006 0.0000 0.0000 34192.0390 -149536.2535 298.6076 -183728.2925 -149436.2521 298.0438 -117.1014 -80.6037 557260.5237 -2.7136 -2.4948 PRESSURE: 3744000 -139.133 151.496 54.4178 151.495 -185.232 -201.07 54.4175 -201.067 -210.274 GPRESSURE: 3744000 -23.4096 211.227 208.311 166.694 -175.758 -135.162 -92.535 -182.246 -225.288 PRESSAVG: 3744000 24.5235 -3.33012 -33.5715 -3.33016 15.6098 -22.2327 -33.5717 -22.2326 -52.2167 GPRESSAVG: 3744000 27.052 -4.31688 -34.5442 -2.31343 13.8364 -24.3747 -33.5789 -19.8515 -52.5303 TIMING: 3744000 CPU: 11216.4, 0.00303969/step Wall: 11216.4, 0.00303969/step, 1.06051 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: 3744000 742.2195 2053.1249 1937.4180 113.2561 -206023.5669 17478.1211 0.0000 0.0000 34167.2493 -149532.1779 298.3911 -183699.4272 -149435.8350 298.7130 -178.2129 -141.4850 555757.1391 -4.0278 -3.8807 PRESSURE: 3744200 -209.156 102.861 -90.676 102.862 58.0617 -54.6561 -90.6765 -54.6558 -141.544 GPRESSURE: 3744200 -108.957 38.4485 -61.1181 64.2247 30.751 -129.272 -138.963 -28.6042 -125.851 PRESSAVG: 3744200 66.612 30.329 -17.6259 30.3289 3.1816 -51.8164 -17.626 -51.8165 -21.1555 GPRESSAVG: 3744200 64.4177 31.0018 -16.3769 31.1423 5.53113 -50.4564 -20.6311 -52.2889 -21.3378 TIMING: 3744200 CPU: 11217, 0.00303977/step Wall: 11217, 0.00303977/step, 1.06037 hours remaining, 206.273438 MB of memory in use. ENERGY: 3744200 738.0962 2120.5579 1923.8224 117.1431 -206496.3885 17764.0563 0.0000 0.0000 34188.6795 -149644.0331 298.5782 -183832.7126 -149541.6688 298.7285 -97.5462 -68.0187 556680.2666 16.2127 16.2037 LDB: ============= START OF LOAD BALANCING ============== 11220.5 LDB: ============== END OF LOAD BALANCING =============== 11220.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11220.5 LDB: ============= START OF LOAD BALANCING ============== 11220.8 LDB: Largest compute 4820 load 0.023035 is 19.5% of average load 0.118068 LDB: Average compute 0.001710 is 1.4% of average load 0.118068 LDB: TIME 11220.8 LOAD: AVG 0.118068 MAX 0.217301 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 11220.8 LOAD: AVG 0.118068 MAX 0.217301 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.52 MB LDB: TIME 11220.8 LOAD: AVG 0.118068 MAX 0.217301 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.52 MB LDB: ============== END OF LOAD BALANCING =============== 11220.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11220.8 PRESSURE: 3744400 -167.492 87.6758 -91.9208 87.6752 -311.292 -127.532 -91.9221 -127.531 -118.236 GPRESSURE: 3744400 -144.149 -14.0163 -59.8768 70.669 -243.864 -94.8992 -211.072 -58.5571 -118.095 PRESSAVG: 3744400 -3.41131 -14.6447 -29.7399 -14.6448 -16.5976 -34.2341 -29.7399 -34.2342 24.5647 GPRESSAVG: 3744400 -3.70095 -14.756 -29.831 -15.5014 -17.892 -35.2308 -27.6942 -34.1621 26.5463 TIMING: 3744400 CPU: 11217.7, 0.00311757/step Wall: 11217.7, 0.00311757/step, 1.08734 hours remaining, 205.433594 MB of memory in use. ENERGY: 3744400 757.4868 2114.1858 1947.6405 100.9852 -206337.4736 17719.6937 0.0000 0.0000 34184.0746 -149513.4069 298.5380 -183697.4816 -149421.9858 298.2145 -199.0065 -168.7027 558457.9490 1.5186 1.6511 PRESSURE: 3744600 -259.434 -100.581 18.47 -100.581 -199.043 16.4741 18.4695 16.4739 -150.137 GPRESSURE: 3744600 -227.524 -82.0553 91.4848 -121.507 -143.8 -43.987 82.8916 -9.82916 -144.416 PRESSAVG: 3744600 -31.4716 -18.4132 -9.37223 -18.4133 31.9541 16.315 -9.37219 16.3149 -3.91439 GPRESSAVG: 3744600 -32.178 -18.655 -9.2671 -19.2351 33.893 16.7298 -8.44244 14.1421 -5.02257 TIMING: 3744600 CPU: 11218.3, 0.0030637/step Wall: 11218.3, 0.0030637/step, 1.06838 hours remaining, 205.433594 MB of memory in use. ENERGY: 3744600 746.7755 2119.7512 1946.8307 104.6303 -206113.8965 17542.1406 0.0000 0.0000 34341.2185 -149312.5497 299.9104 -183653.7682 -149229.4583 298.7141 -202.8714 -171.9132 558904.7931 -1.1440 -1.1025 PRESSURE: 3744800 -162.756 67.383 31.7583 67.3822 -182.082 -103.916 31.7595 -103.917 -225.207 GPRESSURE: 3744800 -118.963 113.141 72.5485 137.943 -209.29 -72.1817 103.456 -92.8589 -138.438 PRESSAVG: 3744800 -41.6239 -27.782 -15.0835 -27.782 32.2109 1.02967 -15.0835 1.0296 0.691373 GPRESSAVG: 3744800 -40.4149 -27.4096 -14.8925 -26.4169 30.2459 1.66222 -16.3364 0.763047 1.87829 TIMING: 3744800 CPU: 11218.9, 0.00306362/step Wall: 11218.9, 0.00306362/step, 1.06818 hours remaining, 205.433594 MB of memory in use. ENERGY: 3744800 730.4218 2120.1697 1950.6694 101.6669 -205529.1868 17485.9716 0.0000 0.0000 34076.1463 -149064.1411 297.5955 -183140.2874 -148965.7123 299.3934 -190.0148 -155.5634 559195.5901 -2.9072 -2.7636 PRESSURE: 3745000 -47.4515 67.4181 2.69212 67.4176 -23.3355 122.708 2.69194 122.708 -46.7699 GPRESSURE: 3745000 -35.0261 91.1091 54.208 -5.72629 124.238 97.2281 -162.591 83.619 -109.432 PRESSAVG: 3745000 -40.7414 34.2629 -9.16446 34.2629 1.18487 -5.43237 -9.16447 -5.43225 52.1932 GPRESSAVG: 3745000 -40.2722 32.7147 -8.17144 34.4738 3.2347 -7.74478 -10.9942 -3.00913 49.992 TIMING: 3745000 CPU: 11219.5, 0.00305578/step Wall: 11219.5, 0.00305578/step, 1.06528 hours remaining, 205.433594 MB of memory in use. ENERGY: 3745000 762.8593 2061.6102 1932.2342 122.6847 -205717.7578 17516.9467 0.0000 0.0000 34352.9534 -148968.4693 300.0129 -183321.4227 -148879.3601 299.4435 -39.1856 -6.7401 557702.5811 4.2122 4.3181 PRESSURE: 3745200 258.617 53.588 83.3499 53.5886 103.665 -46.2948 83.3498 -46.2941 -84.6099 GPRESSURE: 3745200 247.864 38.0566 63.1647 56.1881 172.293 -25.0397 47.474 17.5486 -55.8031 PRESSAVG: 3745200 -19.3053 -3.13034 18.32 -3.13036 84.8604 35.3456 18.3199 35.3455 -56.0905 GPRESSAVG: 3745200 -18.9714 -4.07677 17.5522 -2.61523 82.9005 35.0879 18.349 34.5383 -55.2762 TIMING: 3745200 CPU: 11220.1, 0.00304382/step Wall: 11220.1, 0.00304382/step, 1.06094 hours remaining, 205.433594 MB of memory in use. ENERGY: 3745200 748.1643 2127.8536 1934.4723 117.5769 -206486.1933 18161.9379 0.0000 0.0000 34522.5105 -148873.6778 301.4937 -183396.1883 -148775.2776 301.0569 92.5576 121.4515 556944.7862 3.1548 2.8843 PRESSURE: 3745400 -81.6097 71.0534 -42.9097 71.0531 -97.3646 28.2891 -42.9096 28.2887 -269.204 GPRESSURE: 3745400 -85.7877 -31.9696 42.2542 35.2711 -62.8002 65.7476 25.9818 27.8637 -175.512 PRESSAVG: 3745400 -25.0263 -26.0132 14.9701 -26.0132 36.4207 2.10602 14.97 2.10605 -82.492 GPRESSAVG: 3745400 -25.5833 -24.6601 14.1771 -26.3987 36.709 3.06857 15.1834 2.72259 -82.2663 TIMING: 3745400 CPU: 11220.7, 0.00304464/step Wall: 11220.7, 0.00304464/step, 1.06106 hours remaining, 205.433594 MB of memory in use. ENERGY: 3745400 728.6833 2101.2310 1939.8136 108.6429 -205640.6452 17577.0182 0.0000 0.0000 34310.1969 -148875.0593 299.6395 -183185.2562 -148777.8511 299.7502 -149.3929 -108.0334 557407.7175 -23.6992 -23.7135 PRESSURE: 3745600 163.943 -142.342 114.538 -142.341 6.61453 153.157 114.537 153.156 49.5789 GPRESSURE: 3745600 215.865 -53.0896 110.748 -134.443 16.7393 223.689 185.873 95.9484 79.1107 PRESSAVG: 3745600 32.4312 -31.2532 50.0979 -31.2532 39.2761 20.958 50.0979 20.958 -28.4187 GPRESSAVG: 3745600 33.4245 -30.576 50.4936 -32.2463 38.408 21.9895 49.8692 20.9533 -28.3076 TIMING: 3745600 CPU: 11221.3, 0.00305331/step Wall: 11221.3, 0.00305331/step, 1.06391 hours remaining, 205.433594 MB of memory in use. ENERGY: 3745600 744.4007 2139.7471 1958.8155 98.7807 -206129.3303 17961.6473 0.0000 0.0000 34184.7149 -149041.2241 298.5436 -183225.9390 -148946.0171 300.2000 73.3789 103.9049 557853.3773 14.4295 14.5083 PRESSURE: 3745800 228.088 -48.6025 60.3422 -48.601 -168.17 61.255 60.3419 61.2553 19.6037 GPRESSURE: 3745800 234.135 6.8308 47.2784 -56.2748 -120.009 -20.9351 114.998 172.666 62.4194 PRESSAVG: 3745800 -23.2174 -75.6857 10.5536 -75.6856 -6.04596 47.2261 10.5536 47.2262 2.40981 GPRESSAVG: 3745800 -24.0111 -76.2008 10.4322 -74.0892 -4.96873 48.0223 12.3408 47.5386 2.18237 TIMING: 3745800 CPU: 11221.9, 0.00305395/step Wall: 11221.9, 0.00305395/step, 1.06396 hours remaining, 205.433594 MB of memory in use. ENERGY: 3745800 772.4596 2108.5786 1943.8912 103.8738 -205753.8007 17645.3728 0.0000 0.0000 34290.9446 -148888.6800 299.4713 -183179.6246 -148789.6392 300.1080 26.5072 58.8484 558251.3028 -8.9512 -8.9325 PRESSURE: 3746000 -216.718 -22.5473 89.4933 -22.5472 -115.502 -216.288 89.4935 -216.286 -67.9553 GPRESSURE: 3746000 -179.967 -55.8068 54.6105 47.5332 -169.196 -273.982 122.484 -90.4099 36.7318 PRESSAVG: 3746000 21.8867 -75.3577 47.3178 -75.3577 -50.9577 -15.0639 47.3178 -15.064 19.5099 GPRESSAVG: 3746000 22.12 -74.878 45.421 -75.5874 -51.9568 -14.3709 47.9418 -15.5723 19.9469 TIMING: 3746000 CPU: 11222.5, 0.00305251/step Wall: 11222.5, 0.00305251/step, 1.06329 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: 3746000 736.8401 2098.1127 1937.3662 99.5259 -205565.6619 17392.5959 0.0000 0.0000 34501.1650 -148800.0561 301.3073 -183301.2211 -148700.1906 300.6728 -133.3918 -104.1435 558805.9559 -3.1870 -3.2966 PRESSURE: 3746200 -98.2934 70.5986 35.0628 70.6011 61.34 62.1081 35.0625 62.1085 -440.206 GPRESSURE: 3746200 -77.6098 39.5668 -6.81341 50.6237 95.3756 20.0387 33.1012 79.7626 -398.66 PRESSAVG: 3746200 25.8437 -38.3489 13.4239 -38.3489 -38.2211 47.2206 13.424 47.2207 28.6795 GPRESSAVG: 3746200 25.5881 -38.5209 14.772 -38.0112 -37.8015 46.0239 12.2663 45.7252 28.6088 TIMING: 3746200 CPU: 11223.2, 0.00305846/step Wall: 11223.2, 0.00305846/step, 1.06519 hours remaining, 205.433594 MB of memory in use. ENERGY: 3746200 756.4405 2050.8261 1949.0029 95.6584 -205900.9829 17542.3648 0.0000 0.0000 34630.4519 -148876.2382 302.4363 -183506.6901 -148772.4661 300.8298 -159.0533 -126.9647 558023.3895 5.4340 5.4651 PRESSURE: 3746400 358.443 -150.825 -155.115 -150.826 -31.1875 -127.178 -155.116 -127.18 288.49 GPRESSURE: 3746400 418.766 -155.45 -149.047 -209.318 32.9722 -118.376 -148.076 -148.342 261.551 PRESSAVG: 3746400 21.6595 -43.3004 -16.1295 -43.3004 -5.13826 5.37094 -16.1294 5.37087 -72.9468 GPRESSAVG: 3746400 21.4514 -43.4536 -17.3793 -43.8586 -4.9957 5.03362 -14.0243 5.29756 -73.0585 TIMING: 3746400 CPU: 11223.8, 0.00305426/step Wall: 11223.8, 0.00305426/step, 1.06356 hours remaining, 205.433594 MB of memory in use. ENERGY: 3746400 747.7482 2091.2624 1921.3610 109.3375 -206134.9145 18078.5354 0.0000 0.0000 34376.8747 -148809.7953 300.2218 -183186.6700 -148706.2453 299.9114 205.2484 237.7629 558337.1803 -18.8085 -18.8676 PRESSURE: 3746600 18.1257 197.019 61.7441 197.019 17.5974 -59.9792 61.7438 -59.9782 -76.4557 GPRESSURE: 3746600 74.8618 196.444 -23.7831 132.419 49.1064 -30.8196 -55.7362 -51.1965 -58.669 PRESSAVG: 3746600 46.8996 -35.0884 31.4363 -35.0885 24.021 -31.6941 31.4363 -31.6941 -39.1061 GPRESSAVG: 3746600 46.3165 -33.3762 32.959 -34.5766 23.9945 -31.2352 29.0218 -30.8641 -39.042 TIMING: 3746600 CPU: 11224.4, 0.00305731/step Wall: 11224.4, 0.00305731/step, 1.06445 hours remaining, 205.433594 MB of memory in use. ENERGY: 3746600 724.3853 2086.1879 1936.6111 114.9463 -205818.8468 17728.6797 0.0000 0.0000 34439.9965 -148788.0401 300.7731 -183228.0366 -148698.8544 300.7098 -13.5775 21.7664 557044.0438 10.6048 10.4230 PRESSURE: 3746800 54.0337 -212.01 -62.4381 -212.009 -390.246 -111.706 -62.4389 -111.706 47.2728 GPRESSURE: 3746800 48.8276 -162.65 -82.4916 -254.634 -349.962 -174.231 0.22527 -134.927 102.707 PRESSAVG: 3746800 89.0587 68.4869 18.8563 68.4869 -5.98187 -30.7793 18.8564 -30.7793 -62.3229 GPRESSAVG: 3746800 88.1613 68.5179 18.9189 67.3807 -5.40692 -31.4592 19.3693 -30.8799 -62.1994 TIMING: 3746800 CPU: 11225, 0.00305996/step Wall: 11225, 0.00305996/step, 1.06521 hours remaining, 205.433594 MB of memory in use. ENERGY: 3746800 728.2204 2091.4010 1928.3178 122.0822 -205928.8609 17646.3601 0.0000 0.0000 34595.6765 -148816.8028 302.1326 -183412.4794 -148715.4263 300.8656 -96.3131 -66.1423 558145.4561 6.9180 6.8517 PRESSURE: 3747000 33.3818 -18.157 -64.5721 -18.1568 160.172 -58.1802 -64.572 -58.1798 5.07584 GPRESSURE: 3747000 85.092 -60.7144 -145.896 -67.828 161.193 -163.14 -82.3117 -32.7947 60.4695 PRESSAVG: 3747000 36.13 -10.5221 -30.2957 -10.522 73.781 8.00965 -30.2957 8.00974 -86.6964 GPRESSAVG: 3747000 36.1058 -11.8504 -30.6056 -10.4624 73.7963 5.75136 -27.7761 8.80903 -86.9563 TIMING: 3747000 CPU: 11225.6, 0.00305934/step Wall: 11225.6, 0.00305934/step, 1.06482 hours remaining, 205.433594 MB of memory in use. ENERGY: 3747000 716.2037 2115.4310 1950.4406 115.3970 -205901.7643 17821.7579 0.0000 0.0000 34398.7433 -148783.7908 300.4128 -183182.5341 -148685.0505 300.1896 66.2099 102.2516 558513.4059 7.7382 7.6486 PRESSURE: 3747200 -35.3453 131.337 12.2009 131.336 -10.0021 35.1479 12.2008 35.1481 -166.901 GPRESSURE: 3747200 -55.3369 181.038 95.5016 112.941 59.8438 6.99758 -31.2933 65.6255 -125.958 PRESSAVG: 3747200 -14.747 10.1094 -33.0045 10.1094 -17.7689 -18.0524 -33.0046 -18.0524 13.2026 GPRESSAVG: 3747200 -14.8602 8.73416 -33.155 10.9639 -18.2922 -12.8081 -33.7022 -19.4545 13.5584 TIMING: 3747200 CPU: 11226.2, 0.00307545/step Wall: 11226.2, 0.00307545/step, 1.07026 hours remaining, 205.433594 MB of memory in use. ENERGY: 3747200 772.2446 2177.5872 1960.6242 123.8060 -205645.4126 17639.3632 0.0000 0.0000 34203.8878 -148767.8997 298.7111 -182971.7874 -148678.4280 300.4211 -70.7495 -40.4837 559273.9175 -6.4377 -6.5313 PRESSURE: 3747400 11.4745 -191.668 21.943 -191.667 -158.303 123.592 21.9425 123.591 -122.406 GPRESSURE: 3747400 16.8767 -114.239 44.4483 -239.538 -85.2329 134.008 -61.2337 52.0716 -95.4385 PRESSAVG: 3747400 57.7301 -30.8732 -71.4477 -30.8732 -42.9235 54.6271 -71.4477 54.6272 -8.72848 GPRESSAVG: 3747400 57.0622 -29.0912 -70.8234 -32.6947 -43.1956 52.346 -73.6645 53.6555 -8.22164 TIMING: 3747400 CPU: 11226.8, 0.00306399/step Wall: 11226.8, 0.00306399/step, 1.0661 hours remaining, 205.433594 MB of memory in use. ENERGY: 3747400 733.9433 2132.5732 1972.5008 123.3525 -205590.6376 17464.7423 0.0000 0.0000 34392.5290 -148770.9966 300.3585 -183163.5255 -148671.7092 300.8486 -89.7449 -54.5982 557683.5926 2.0260 1.8817 PRESSURE: 3747600 -266.82 8.78061 8.26861 8.78034 -174.049 -146.687 8.26948 -146.688 87.1743 GPRESSURE: 3747600 -167.162 -62.8754 10.3595 3.42942 -176.923 -141.815 -55.573 -182.441 82.8201 PRESSAVG: 3747600 29.0792 -77.2037 -23.0874 -77.2036 -14.6414 -4.97463 -23.0874 -4.97465 -18.5823 GPRESSAVG: 3747600 29.9482 -77.0719 -23.9402 -76.867 -16.0702 -4.58513 -22.1179 -3.99139 -18.5773 TIMING: 3747600 CPU: 11227.4, 0.00307989/step Wall: 11227.4, 0.00307989/step, 1.07146 hours remaining, 205.433594 MB of memory in use. ENERGY: 3747600 776.1411 2066.4225 1972.6595 105.3857 -205667.7145 17624.1102 0.0000 0.0000 34317.1506 -148805.8448 299.7002 -183122.9954 -148706.1083 300.9516 -117.8982 -87.0883 558963.9540 -1.3815 -1.5664 PRESSURE: 3747800 317.793 -80.3221 -128.447 -80.3234 99.263 108.329 -128.446 108.329 -5.48654 GPRESSURE: 3747800 436.196 -99.9723 -179.062 -74.5501 48.1044 70.0476 -52.982 37.4852 24.348 PRESSAVG: 3747800 64.9848 -20.1875 -27.8282 -20.1876 15.4269 -84.2276 -27.8281 -84.2275 -90.5531 GPRESSAVG: 3747800 64.2149 -20.8916 -27.8229 -19.8235 15.8858 -85.143 -27.8877 -82.4686 -90.5879 TIMING: 3747800 CPU: 11228.1, 0.00303377/step Wall: 11228.1, 0.00303377/step, 1.05525 hours remaining, 205.433594 MB of memory in use. ENERGY: 3747800 746.0944 2107.5379 1948.6826 117.4155 -206178.5466 17917.1049 0.0000 0.0000 34408.5154 -148933.1960 300.4981 -183341.7114 -148838.6182 300.3833 137.1898 169.5493 557918.1964 -3.3805 -3.4957 PRESSURE: 3748000 70.7752 103.415 -77.9287 103.415 -21.5431 107.495 -77.9278 107.495 32.5423 GPRESSURE: 3748000 71.7288 52.9593 -89.3555 165.137 36.8071 171.532 -62.623 37.9235 78.1302 PRESSAVG: 3748000 -9.09226 4.20179 44.4212 4.20171 27.9764 24.6281 44.4213 24.6281 37.8125 GPRESSAVG: 3748000 -9.70207 5.8604 43.3425 5.10431 29.4852 23.0531 46.3898 23.4899 36.7456 TIMING: 3748000 CPU: 11228.7, 0.00301261/step Wall: 11228.7, 0.00301261/step, 1.04772 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: 3748000 728.4046 2025.1241 1942.8420 103.3400 -206248.2879 17774.1521 0.0000 0.0000 34481.7679 -149192.6572 301.1379 -183674.4251 -149096.9370 299.9132 27.2581 62.2221 556429.0022 18.8989 18.8429 PRESSURE: 3748200 -21.9219 -1.72152 119.006 -1.72082 277.1 165.1 119.007 165.1 76.197 GPRESSURE: 3748200 -39.3688 -28.3058 93.1259 -73.5516 286.608 147.117 49.0685 144.827 178.663 PRESSAVG: 3748200 25.7139 -2.93462 -7.00796 -2.93465 97.9371 -13.0908 -7.00792 -13.0908 -120.598 GPRESSAVG: 3748200 26.4047 -4.92509 -4.69789 -3.86108 96.572 -10.5428 -8.62668 -12.6047 -119.847 TIMING: 3748200 CPU: 11229.3, 0.00305185/step Wall: 11229.3, 0.00305185/step, 1.06119 hours remaining, 205.433594 MB of memory in use. ENERGY: 3748200 731.4937 2025.3240 1962.7645 112.8311 -206524.1879 18127.6905 0.0000 0.0000 34301.9066 -149262.1774 299.5671 -183564.0840 -149158.5029 299.8526 110.4583 141.9672 557239.8621 1.0177 1.0434 LDB: ============= START OF LOAD BALANCING ============== 11232.7 LDB: ============== END OF LOAD BALANCING =============== 11232.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11232.7 LDB: ============= START OF LOAD BALANCING ============== 11233 LDB: Largest compute 4820 load 0.023185 is 19.6% of average load 0.118114 LDB: Average compute 0.001714 is 1.5% of average load 0.118114 LDB: TIME 11233 LOAD: AVG 0.118114 MAX 0.220832 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 11233 LOAD: AVG 0.118114 MAX 0.220832 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: TIME 11233 LOAD: AVG 0.118114 MAX 0.220832 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.715 MB LDB: ============== END OF LOAD BALANCING =============== 11233 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11233 PRESSURE: 3748400 -138.895 64.4401 -12.4887 64.4406 -185.127 23.6145 -12.4897 23.612 91.5777 GPRESSURE: 3748400 -42.0476 49.2138 -3.31107 94.277 -129.821 7.93935 -12.4863 84.8996 35.0766 PRESSAVG: 3748400 -70.7235 -34.7303 -20.4328 -34.7304 90.25 -10.1675 -20.4328 -10.1677 -1.90695 GPRESSAVG: 3748400 -71.6295 -35.4193 -21.0287 -33.113 91.7198 -10.8472 -19.5934 -10.3966 -2.55811 TIMING: 3748400 CPU: 11229.9, 0.00311151/step Wall: 11229.9, 0.00311151/step, 1.08177 hours remaining, 207.226562 MB of memory in use. ENERGY: 3748400 735.1121 2117.9172 1921.0983 115.5135 -205828.2864 17513.3471 0.0000 0.0000 34229.0780 -149196.2201 298.9311 -183425.2981 -149107.2303 299.1212 -77.4813 -45.5974 556204.5671 5.8732 5.8441 PRESSURE: 3748600 -358.839 25.9998 -60.3202 26.0004 -266.401 -44.2071 -60.3182 -44.2072 -170.621 GPRESSURE: 3748600 -289.067 37.2951 -121.041 83.8104 -296.377 24.763 -72.5451 -0.908509 -114.52 PRESSAVG: 3748600 -3.2174 -50.0342 25.7455 -50.0342 5.09506 16.3067 25.7455 16.3067 12.5204 GPRESSAVG: 3748600 -2.62709 -48.496 24.9031 -49.6504 3.58624 16.6186 25.9023 14.4952 13.4942 TIMING: 3748600 CPU: 11230.5, 0.00306186/step Wall: 11230.5, 0.00306186/step, 1.06434 hours remaining, 207.226562 MB of memory in use. ENERGY: 3748600 747.9744 2103.8839 1932.2961 110.2256 -205693.3945 17375.6411 0.0000 0.0000 34243.1743 -149180.1992 299.0542 -183423.3735 -149085.6586 299.5178 -265.2869 -233.3213 557747.0801 4.7994 4.8178 PRESSURE: 3748800 136.339 51.1051 -14.26 51.1057 56.4344 29.3235 -14.2605 29.3228 -93.5259 GPRESSURE: 3748800 216.665 -43.2579 6.37959 56.6537 32.6233 8.20044 -25.9384 -8.27582 -55.0218 PRESSAVG: 3748800 47.79 -25.3841 7.39124 -25.384 -52.848 36.7887 7.39123 36.7885 0.391396 GPRESSAVG: 3748800 48.2468 -28.141 9.37762 -25.9408 -53.091 36.4225 4.7729 36.0588 0.131586 TIMING: 3748800 CPU: 11231.1, 0.00303639/step Wall: 11231.1, 0.00303639/step, 1.05531 hours remaining, 207.523438 MB of memory in use. ENERGY: 3748800 763.5334 2081.3237 1971.3418 94.0490 -206427.2835 18005.4835 0.0000 0.0000 34337.2114 -149174.3407 299.8754 -183511.5522 -149081.7917 299.0815 33.0824 64.7555 555818.8396 -1.5556 -1.5709 PRESSURE: 3749000 109.398 59.1602 138.765 59.1599 -30.1699 41.4297 138.767 41.4284 -109.137 GPRESSURE: 3749000 153.642 41.7334 158.138 24.5356 18.9229 75.5443 125.679 13.5413 -100.92 PRESSAVG: 3749000 45.2451 -2.65556 -13.1504 -2.65571 -32.7445 -18.446 -13.1504 -18.4459 -41.7085 GPRESSAVG: 3749000 43.7388 -0.751605 -12.378 -5.73306 -31.8581 -18.0576 -13.0665 -17.2334 -40.9772 TIMING: 3749000 CPU: 11231.7, 0.00302431/step Wall: 11231.7, 0.00302431/step, 1.05095 hours remaining, 207.523438 MB of memory in use. ENERGY: 3749000 751.5460 2091.6659 1941.9139 112.1270 -206285.3323 17744.5198 0.0000 0.0000 34284.2766 -149359.2831 299.4131 -183643.5597 -149262.1442 299.2352 -9.9695 23.8816 556046.4473 -9.7360 -9.6988 PRESSURE: 3749200 -39.1528 80.9914 83.8882 80.9916 -261.703 -24.7551 83.8882 -24.7558 125.119 GPRESSURE: 3749200 3.86206 161.028 55.4642 138.064 -223.988 2.94158 61.4311 -21.427 143.555 PRESSAVG: 3749200 36.2322 74.3328 -26.7408 74.3328 -72.783 -31.34 -26.7407 -31.3399 -2.17054 GPRESSAVG: 3749200 37.8932 73.5574 -28.0522 75.058 -73.3128 -31.2327 -27.3691 -32.5262 -3.19078 TIMING: 3749200 CPU: 11232.3, 0.00299892/step Wall: 11232.3, 0.00299892/step, 1.04196 hours remaining, 207.523438 MB of memory in use. ENERGY: 3749200 774.0004 2017.1940 1950.0250 102.2577 -206228.8351 17760.9076 0.0000 0.0000 34261.7075 -149362.7429 299.2160 -183624.4503 -149262.6699 298.6584 -58.5786 -25.5238 556735.8428 -12.9071 -12.8701 PRESSURE: 3749400 285.752 -109.617 159.589 -109.616 90.5932 -73.9443 159.59 -73.9449 172.628 GPRESSURE: 3749400 324.392 -174.535 116.565 -74.6279 66.8258 -105.104 173.74 -38.4723 255.978 PRESSAVG: 3749400 75.9259 -9.47985 -6.09657 -9.47984 -30.147 5.47516 -6.09665 5.4752 -28.8918 GPRESSAVG: 3749400 75.4365 -8.94096 -7.0221 -7.98858 -31.0472 4.9672 -4.82041 6.31023 -27.0832 TIMING: 3749400 CPU: 11232.9, 0.00297592/step Wall: 11232.9, 0.00297592/step, 1.0338 hours remaining, 207.523438 MB of memory in use. ENERGY: 3749400 747.5988 2116.0478 1963.5038 112.4991 -206825.9728 18107.5549 0.0000 0.0000 34437.5527 -149341.2156 300.7517 -183778.7684 -149239.3903 299.2568 182.9913 215.7321 555420.1976 5.6290 5.7687 PRESSURE: 3749600 -12.7962 -62.8723 85.3719 -62.8728 37.5687 57.8125 85.3709 57.8139 -154.333 GPRESSURE: 3749600 40.816 -87.5783 92.8173 63.0107 45.5425 137.326 49.0996 197.485 -119.042 PRESSAVG: 3749600 -10.9267 -5.86096 -52.07 -5.86091 46.3506 29.7768 -52.0701 29.7767 -30.2519 GPRESSAVG: 3749600 -10.3821 -3.71543 -52.213 -6.15036 46.3138 29.7463 -52.6662 29.4126 -31.0999 TIMING: 3749600 CPU: 11233.5, 0.00302247/step Wall: 11233.5, 0.00302247/step, 1.04981 hours remaining, 207.523438 MB of memory in use. ENERGY: 3749600 743.0312 2128.1231 1934.0954 114.0246 -206329.7703 17783.5433 0.0000 0.0000 34334.6270 -149292.3258 299.8528 -183626.9528 -149185.9839 299.4115 -43.1869 -10.8944 558966.6763 1.7240 1.6106 PRESSURE: 3749800 -22.6688 275.57 -108.973 275.571 -211.384 -5.33119 -108.973 -5.33131 -133.734 GPRESSURE: 3749800 -7.00143 265.958 -77.6835 246.132 -140.087 -72.894 -156.053 54.8632 -142.888 PRESSAVG: 3749800 -21.2054 51.8571 -25.0536 51.8571 22.4212 -5.73332 -25.0537 -5.73333 -13.4031 GPRESSAVG: 3749800 -21.0078 50.7738 -24.3761 51.3204 21.7484 -3.93761 -24.7367 -6.74966 -13.3103 TIMING: 3749800 CPU: 11234.1, 0.00300131/step Wall: 11234.1, 0.00300131/step, 1.04229 hours remaining, 207.523438 MB of memory in use. ENERGY: 3749800 788.2495 2077.9220 1928.5758 124.1819 -206194.1248 17586.0192 0.0000 0.0000 34371.9493 -149317.2270 300.1788 -183689.1763 -149224.0425 299.0520 -122.5956 -96.6587 558730.9917 -4.0624 -4.1899 PRESSURE: 3750000 -29.8549 60.1007 -90.1646 60.0999 96.0948 82.5099 -90.1642 82.5099 -33.8654 GPRESSURE: 3750000 -17.6816 5.12857 -119.406 87.5409 150.836 78.8438 -60.8627 136.69 -2.30706 PRESSAVG: 3750000 -2.52593 17.0359 3.51169 17.0359 18.2443 17.5203 3.51164 17.5204 8.80276 GPRESSAVG: 3750000 -3.04481 15.228 2.75233 18.9703 17.6412 16.4359 4.21458 18.8663 10.2404 TIMING: 3750000 CPU: 11234.7, 0.00302617/step Wall: 11234.7, 0.00302617/step, 1.05076 hours remaining, 207.523438 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: 3750000 731.5508 2098.4630 1926.7218 105.2516 -206210.0868 17891.8881 0.0000 0.0000 34139.1521 -149317.0595 298.1457 -183456.2116 -149222.4913 298.9735 10.7915 43.6159 558106.0468 8.1737 8.2790 PRESSURE: 3750200 -60.4636 -33.5705 160.642 -33.5697 204.237 1.08926 160.641 1.08733 -131.617 GPRESSURE: 3750200 59.6971 -81.0679 180.139 5.22022 188.126 5.52731 70.6182 52.7878 -118.307 PRESSAVG: 3750200 8.71561 18.7089 -28.6851 18.709 16.4833 19.8631 -28.6852 19.863 1.0577 GPRESSAVG: 3750200 8.47446 18.874 -27.1613 18.4311 17.0892 19.2873 -30.6192 20.8581 1.30689 TIMING: 3750200 CPU: 11235.3, 0.00303529/step Wall: 11235.3, 0.00303529/step, 1.05375 hours remaining, 207.523438 MB of memory in use. ENERGY: 3750200 777.2387 2051.2235 1974.1708 105.3804 -206652.1148 18085.0388 0.0000 0.0000 34171.9748 -149487.0879 298.4324 -183659.0627 -149391.7593 298.8443 4.0522 43.1718 555920.6354 8.7522 8.9569 PRESSURE: 3750400 -7.19601 64.6051 -75.007 64.604 233.205 21.42 -75.0061 21.4217 -63.5666 GPRESSURE: 3750400 66.4604 -37.0997 -48.6105 53.9936 255.306 128.172 -85.7422 54.4845 -72.8026 PRESSAVG: 3750400 -28.3576 -1.26414 5.84336 -1.26407 42.5831 48.9353 5.84339 48.9352 11.0719 GPRESSAVG: 3750400 -27.286 -2.5231 4.14876 -1.93401 42.4202 47.1618 7.26403 47.1567 10.0771 TIMING: 3750400 CPU: 11235.9, 0.0030402/step Wall: 11235.9, 0.0030402/step, 1.05529 hours remaining, 207.523438 MB of memory in use. ENERGY: 3750400 743.9981 2082.0038 1966.9948 109.5887 -206566.3042 17935.2078 0.0000 0.0000 34341.1599 -149387.3510 299.9099 -183728.5109 -149291.4868 298.8754 54.1475 82.9880 556742.8910 8.4325 8.4038 PRESSURE: 3750600 -249.824 170.421 38.3572 170.42 -181.616 125.37 38.3574 125.369 -268.727 GPRESSURE: 3750600 -197.092 168.543 37.8706 177.314 -158.87 181.989 49.2094 103.741 -234.802 PRESSAVG: 3750600 -10.0494 -31.2102 -9.93538 -31.2104 -1.17213 -2.84185 -9.93538 -2.84188 -9.44889 GPRESSAVG: 3750600 -10.142 -30.7929 -8.86951 -33.3751 -0.836536 0.470284 -11.6726 -1.63333 -9.67433 TIMING: 3750600 CPU: 11236.5, 0.00301786/step Wall: 11236.5, 0.00301786/step, 1.04736 hours remaining, 207.523438 MB of memory in use. ENERGY: 3750600 768.6661 2030.2983 1943.9354 112.8628 -206154.9502 17641.4738 0.0000 0.0000 34272.9521 -149384.7618 299.3142 -183657.7139 -149284.3001 298.9363 -233.3891 -196.9217 556923.0729 -6.8901 -6.8843 PRESSURE: 3750800 -192.829 68.152 -24.8787 68.1535 120.399 11.2691 -24.8791 11.2671 139.283 GPRESSURE: 3750800 -165.208 61.6851 -69.6539 -15.8212 169.04 112.724 -102.086 -48.6426 176.1 PRESSAVG: 3750800 -16.7705 10.0521 -47.7744 10.0521 13.6433 36.3023 -47.7744 36.3023 -0.841276 GPRESSAVG: 3750800 -17.0349 9.56289 -47.508 12.1614 15.0526 34.4463 -47.5185 36.4874 -1.39518 TIMING: 3750800 CPU: 11237.1, 0.00303349/step Wall: 11237.1, 0.00303349/step, 1.05262 hours remaining, 207.523438 MB of memory in use. ENERGY: 3750800 775.0318 2093.2247 1941.9375 113.9888 -206115.4233 17789.7211 0.0000 0.0000 33988.8559 -149412.6635 296.8331 -183401.5194 -149309.0018 298.5720 22.2841 59.9772 556580.1558 -1.3229 -1.1258 PRESSURE: 3751000 -175.928 -147.58 -53.5705 -147.582 183.159 -100.759 -53.5693 -100.759 -70.2966 GPRESSURE: 3751000 -228.322 -152.334 -31.6782 -66.3824 240.692 -73.7277 -15.5813 -37.2096 25.254 PRESSAVG: 3751000 -25.5064 26.8012 -0.976804 26.8013 -56.5581 37.4507 -0.976842 37.4507 33.5671 GPRESSAVG: 3751000 -25.2673 30.0507 -0.996901 28.0212 -57.7814 38.3736 -0.917457 38.3462 35.3074 TIMING: 3751000 CPU: 11237.8, 0.00306977/step Wall: 11237.8, 0.00306977/step, 1.06504 hours remaining, 207.523438 MB of memory in use. ENERGY: 3751000 758.6383 2125.2159 1909.6955 133.2467 -206238.7565 17724.3865 0.0000 0.0000 34115.6788 -149471.8948 297.9407 -183587.5736 -149379.5792 297.9544 -21.0220 12.5413 557002.9243 -16.1658 -15.9137 PRESSURE: 3751200 -177.779 55.5039 138.49 55.5044 -157.971 -27.4006 138.489 -27.4024 -46.647 GPRESSURE: 3751200 -123.332 9.45637 138.839 76.2251 -128.284 6.00858 115.623 -58.9475 -14.9971 PRESSAVG: 3751200 -32.6877 19.3679 27.0741 19.368 32.268 33.9364 27.0741 33.9364 18.9878 GPRESSAVG: 3751200 -32.1905 20.3907 25.208 16.9699 31.9965 33.693 28.9556 33.2129 18.4622 TIMING: 3751200 CPU: 11238.4, 0.00305587/step Wall: 11238.4, 0.00305587/step, 1.06005 hours remaining, 207.523438 MB of memory in use. ENERGY: 3751200 742.7424 2125.1386 1928.4481 119.3162 -206216.9508 17649.6336 0.0000 0.0000 34339.1018 -149312.5700 299.8919 -183651.6719 -149221.0602 298.9429 -127.4655 -88.8708 557404.8379 6.1893 6.0894 PRESSURE: 3751400 14.1979 -67.7265 50.1113 -67.7271 159.96 2.17516 50.1104 2.17516 -71.3188 GPRESSURE: 3751400 32.5566 -85.6011 116.899 -100.186 182.654 61.1017 -82.5654 -46.3427 1.49779 PRESSAVG: 3751400 27.1238 46.3772 39.7195 46.3771 26.765 -1.811 39.7196 -1.81104 -19.326 GPRESSAVG: 3751400 26.439 45.3711 42.3937 45.9846 27.1955 1.15135 37.0998 -1.81569 -18.3448 TIMING: 3751400 CPU: 11239, 0.0030594/step Wall: 11239, 0.0030594/step, 1.0611 hours remaining, 207.523438 MB of memory in use. ENERGY: 3751400 754.7189 2105.1293 1973.7027 104.1589 -206711.6467 18002.5779 0.0000 0.0000 34401.2866 -149370.0724 300.4350 -183771.3590 -149274.9019 299.4589 34.2795 72.2362 557442.5161 11.5209 11.7632 PRESSURE: 3751600 -97.3537 44.7094 -59.8584 44.7094 88.5997 -20.8687 -59.8587 -20.8681 -3.85375 GPRESSURE: 3751600 -49.0647 -71.1887 74.8639 85.8861 110.358 6.55427 -51.2078 -31.9656 20.0615 PRESSAVG: 3751600 29.3307 6.95244 22.4472 6.95247 32.9761 50.2396 22.4471 50.2396 -76.3283 GPRESSAVG: 3751600 28.8105 5.3469 21.4364 8.58069 34.0342 47.6401 24.8703 51.0423 -77.1645 TIMING: 3751600 CPU: 11239.6, 0.00306422/step Wall: 11239.6, 0.00306422/step, 1.0626 hours remaining, 207.523438 MB of memory in use. ENERGY: 3751600 742.1333 2124.6851 1945.7434 111.2425 -206819.3449 18113.7569 0.0000 0.0000 34361.5518 -149420.2320 300.0880 -183781.7837 -149328.9127 299.0824 -4.2026 27.1183 559422.6167 -4.6738 -4.7733 PRESSURE: 3751800 -11.9098 139.09 188.778 139.089 12.2487 15.4094 188.778 15.4084 -294.171 GPRESSURE: 3751800 7.55453 96.7301 172.823 42.7781 25.6011 -1.00942 159.53 119.668 -234.924 PRESSAVG: 3751800 -5.77587 20.3063 -4.03918 20.3064 5.88974 4.58293 -4.0392 4.58279 3.6828 GPRESSAVG: 3751800 -4.8032 22.3542 -3.30254 16.9658 5.74671 4.03019 -6.06658 6.24248 2.92633 TIMING: 3751800 CPU: 11240.2, 0.00302949/step Wall: 11240.2, 0.00302949/step, 1.05039 hours remaining, 207.523438 MB of memory in use. ENERGY: 3751800 733.0602 2072.3189 1944.9001 133.4033 -206565.2898 17918.9685 0.0000 0.0000 34177.3854 -149585.2535 298.4796 -183762.6389 -149484.7492 297.6093 -97.9439 -67.2562 558253.6190 1.2656 1.2899 PRESSURE: 3752000 15.4548 188.635 71.598 188.634 -19.7633 -109.797 71.5991 -109.797 335.767 GPRESSURE: 3752000 52.6704 179.512 60.8333 243.641 0.95036 38.9347 86.9485 -111.172 374.832 PRESSAVG: 3752000 -0.402691 48.7038 19.8455 48.7037 -2.11312 -10.8373 19.8455 -10.8373 -5.54627 GPRESSAVG: 3752000 -1.23708 48.3544 19.1398 51.419 -2.2043 -6.93203 23.392 -13.751 -5.1878 TIMING: 3752000 CPU: 11240.8, 0.00305383/step Wall: 11240.8, 0.00305383/step, 1.05866 hours remaining, 207.523438 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: 3752000 733.3654 2134.6905 1933.6290 110.8446 -206773.0189 18125.9690 0.0000 0.0000 34205.5045 -149529.0157 298.7252 -183734.5202 -149435.0695 298.6017 110.4863 142.8177 557836.4084 -2.6874 -2.8764 PRESSURE: 3752200 -4.31655 41.074 4.53755 41.0739 -195.072 50.5996 4.53886 50.5995 -242.851 GPRESSURE: 3752200 29.3515 55.8472 -51.3345 7.8144 -157.999 123.881 23.3018 50.9406 -214.675 PRESSAVG: 3752200 10.1858 48.3471 -7.62073 48.3471 -17.4103 9.45622 -7.62082 9.45634 22.4154 GPRESSAVG: 3752200 10.3362 47.7412 -7.82512 47.8415 -18.1949 5.68142 -8.80896 11.2435 23.3567 TIMING: 3752200 CPU: 11241.4, 0.00303726/step Wall: 11241.4, 0.00303726/step, 1.05275 hours remaining, 207.523438 MB of memory in use. ENERGY: 3752200 791.6447 2083.2434 1919.1316 113.1407 -206322.0342 17736.2103 0.0000 0.0000 34359.0772 -149319.5864 300.0664 -183678.6635 -149221.7075 298.9590 -147.4132 -114.4409 557853.1046 5.0637 5.1660 LDB: ============= START OF LOAD BALANCING ============== 11244.8 LDB: ============== END OF LOAD BALANCING =============== 11244.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11244.8 LDB: ============= START OF LOAD BALANCING ============== 11245.2 LDB: Largest compute 4819 load 0.023225 is 19.7% of average load 0.118131 LDB: Average compute 0.001706 is 1.4% of average load 0.118131 LDB: TIME 11245.2 LOAD: AVG 0.118131 MAX 0.22029 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 11245.2 LOAD: AVG 0.118131 MAX 0.22029 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.707 MB LDB: TIME 11245.2 LOAD: AVG 0.118131 MAX 0.22029 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11245.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11245.2 PRESSURE: 3752400 -388.515 -101.473 93.0384 -101.473 32.5587 -11.1205 93.0383 -11.1206 -34.8546 GPRESSURE: 3752400 -325.066 14.5029 135.247 -211.374 44.175 -3.69133 -38.9883 39.5679 -6.85283 PRESSAVG: 3752400 -34.4682 -38.9278 9.96186 -38.9278 31.4571 46.1798 9.96186 46.1799 23.9669 GPRESSAVG: 3752400 -33.7501 -39.4132 12.3562 -38.5503 31.5647 45.3439 6.62579 46.1289 22.5009 TIMING: 3752400 CPU: 11242, 0.00307505/step Wall: 11242, 0.00307505/step, 1.06567 hours remaining, 205.742188 MB of memory in use. ENERGY: 3752400 745.2628 2066.2130 1968.1994 106.7573 -205869.5432 17687.5104 0.0000 0.0000 34090.5849 -149205.0153 297.7216 -183295.6002 -149107.1070 298.7597 -130.2703 -95.9146 558743.2772 6.9853 6.7718 PRESSURE: 3752600 -304.247 -63.7663 15.8253 -63.7653 43.52 -13.9144 15.8248 -13.915 -197.751 GPRESSURE: 3752600 -227.415 27.5891 17.7343 -72.7866 21.4725 -30.3965 34.5348 114.677 -147.672 PRESSAVG: 3752600 -67.1488 -21.5692 -13.5903 -21.5693 -9.01907 -40.2834 -13.5904 -40.2835 44.7064 GPRESSAVG: 3752600 -67.2644 -22.3253 -15.1086 -20.7694 -9.37481 -40.1718 -12.389 -38.8162 44.694 TIMING: 3752600 CPU: 11242.6, 0.00302354/step Wall: 11242.6, 0.00302354/step, 1.04766 hours remaining, 205.742188 MB of memory in use. ENERGY: 3752600 729.1317 2068.5520 1924.1740 117.7284 -206342.4389 17722.4685 0.0000 0.0000 34471.2076 -149309.1767 301.0456 -183780.3843 -149213.8535 299.3830 -152.8260 -117.8714 557442.6923 -10.4871 -10.6484 PRESSURE: 3752800 -44.129 -76.5322 -105.679 -76.5328 77.3363 53.8876 -105.678 53.8879 -42.3743 GPRESSURE: 3752800 4.17908 -156.628 -111.22 -160.798 129.988 32.274 -78.7681 101.399 -48.3002 PRESSAVG: 3752800 -17.1317 -37.2702 11.0088 -37.2703 31.2925 -16.1121 11.0088 -16.1121 0.610659 GPRESSAVG: 3752800 -17.9803 -34.8723 11.537 -37.8695 31.4704 -14.2459 12.6441 -17.0611 1.20745 TIMING: 3752800 CPU: 11243.2, 0.00301479/step Wall: 11243.2, 0.00301479/step, 1.04446 hours remaining, 205.742188 MB of memory in use. ENERGY: 3752800 768.0316 2130.3313 1928.6222 99.2492 -206656.2433 17997.4526 0.0000 0.0000 34337.7864 -149394.7700 299.8804 -183732.5564 -149300.1520 298.6123 -3.0557 28.6224 556098.7620 4.9238 4.8992 PRESSURE: 3753000 52.8988 -130.149 -33.6364 -130.149 42.2495 -118.611 -33.6375 -118.61 164.952 GPRESSURE: 3753000 48.3848 -138.939 -26.3349 -45.6817 129.205 -95.693 -26.4803 -98.1313 182.592 PRESSAVG: 3753000 -3.24961 -56.5813 50.0532 -56.5813 2.75394 27.6614 50.0533 27.6614 28.8412 GPRESSAVG: 3753000 -3.97993 -59.1255 50.5449 -54.9005 3.54828 25.7091 47.9497 26.4857 28.9071 TIMING: 3753000 CPU: 11243.8, 0.00301006/step Wall: 11243.8, 0.00301006/step, 1.04265 hours remaining, 205.742188 MB of memory in use. ENERGY: 3753000 719.7454 2048.6141 1917.0261 116.9414 -206447.3411 17928.6498 0.0000 0.0000 34332.1256 -149384.2387 299.8310 -183716.3643 -149284.1234 299.5857 86.7002 120.0607 558055.5697 9.4485 9.4918 PRESSURE: 3753200 124.783 220.314 -23.1206 220.315 39.0797 -114.943 -23.1204 -114.943 -79.7506 GPRESSURE: 3753200 178.173 149.923 18.61 182.851 50.0457 -134.467 -46.476 -140.891 -55.7453 PRESSAVG: 3753200 -7.12727 -10.913 44.0914 -10.9131 -11.9249 -39.6117 44.0913 -39.6118 21.883 GPRESSAVG: 3753200 -6.99133 -9.2292 43.6298 -13.4504 -12.2687 -38.4611 46.232 -40.9565 22.0159 TIMING: 3753200 CPU: 11244.4, 0.00303116/step Wall: 11244.4, 0.00303116/step, 1.04979 hours remaining, 205.742188 MB of memory in use. ENERGY: 3753200 760.5854 2078.7251 1939.1482 95.7058 -206451.4478 18051.6023 0.0000 0.0000 34189.7917 -149335.8892 298.5880 -183525.6809 -149240.0744 298.6346 28.0375 57.4911 557722.3006 0.9436 0.9186 PRESSURE: 3753400 121.314 -44.4342 39.9599 -44.4348 57.5994 -57.9963 39.9582 -57.9953 -34.0822 GPRESSURE: 3753400 192.929 -13.241 81.5835 -111.636 92.6067 -144.822 17.789 -20.1421 -54.4287 PRESSAVG: 3753400 19.0481 50.995 19.8127 50.9951 50.0893 -3.09349 19.8127 -3.09367 -39.2012 GPRESSAVG: 3753400 19.7414 50.14 19.4531 49.9617 50.5262 -4.70408 18.9481 -2.11999 -40.5517 TIMING: 3753400 CPU: 11245.1, 0.00303649/step Wall: 11245.1, 0.00303649/step, 1.05147 hours remaining, 205.742188 MB of memory in use. ENERGY: 3753400 732.3679 2086.8644 1914.9288 113.0123 -206588.8945 17988.0740 0.0000 0.0000 34489.6492 -149263.9979 301.2067 -183753.6471 -149165.5283 299.1529 48.2772 77.0355 557420.5185 9.9787 9.9053 PRESSURE: 3753600 283.388 -75.1839 36.6649 -75.183 15.2862 -13.0316 36.6646 -13.0303 75.4884 GPRESSURE: 3753600 290.685 -11.5517 -4.99234 38.9434 57.7937 -71.6222 87.266 51.4392 120.831 PRESSAVG: 3753600 -8.43985 4.19692 73.0362 4.19689 10.3718 18.4542 73.0363 18.4541 -13.5358 GPRESSAVG: 3753600 -8.88718 4.87167 71.5864 7.23742 9.90581 19.6608 74.2337 17.4802 -12.8676 TIMING: 3753600 CPU: 11245.7, 0.00304944/step Wall: 11245.7, 0.00304944/step, 1.05578 hours remaining, 205.742188 MB of memory in use. ENERGY: 3753600 710.7884 2108.9379 1931.2637 103.2903 -206498.0819 17891.1222 0.0000 0.0000 34227.7539 -149524.9256 298.9195 -183752.6795 -149434.3104 299.0072 124.7210 156.4365 556446.8603 -3.8679 -3.9497 PRESSURE: 3753800 -133.087 -8.1296 18.9771 -8.12822 128.601 -90.0335 18.9766 -90.0333 517.761 GPRESSURE: 3753800 -54.2924 -57.0898 -91.4927 -5.8321 160.512 -157.358 48.8338 -92.9248 497.991 PRESSAVG: 3753800 -39.0233 -48.4436 -28.0303 -48.4435 16.9826 -11.7802 -28.0303 -11.7803 36.5809 GPRESSAVG: 3753800 -38.2765 -47.8999 -26.2561 -49.8791 16.2978 -10.2012 -30.1775 -12.2287 36.6141 TIMING: 3753800 CPU: 11246.3, 0.00305206/step Wall: 11246.3, 0.00305206/step, 1.05652 hours remaining, 205.742188 MB of memory in use. ENERGY: 3753800 756.6642 2109.1527 1935.2050 121.6589 -206608.3162 18017.1339 0.0000 0.0000 34228.0192 -149440.4823 298.9218 -183668.5015 -149347.2526 298.6259 171.0917 201.4036 556284.1036 4.8467 4.8785 PRESSURE: 3754000 -294.615 -181.626 -179.116 -181.626 -216.761 -67.8689 -179.116 -67.8696 -56.3825 GPRESSURE: 3754000 -252.53 -107.927 -141.881 -170.545 -218.884 -20.9521 -160.566 -184.875 9.8731 PRESSAVG: 3754000 -32.4772 -48.5824 -37.5129 -48.5824 23.3073 -13.8531 -37.513 -13.853 28.6339 GPRESSAVG: 3754000 -31.9593 -47.7407 -36.7179 -47.7966 22.9754 -15.6406 -37.3506 -11.0442 28.4322 TIMING: 3754000 CPU: 11246.9, 0.00302504/step Wall: 11246.9, 0.00302504/step, 1.047 hours remaining, 205.742188 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: 3754000 714.1878 2084.1861 1913.1765 105.2830 -206234.9441 17618.6875 0.0000 0.0000 34179.3723 -149620.0510 298.4970 -183799.4233 -149520.4245 298.1138 -189.2530 -153.8470 556814.0731 6.4880 6.4828 PRESSURE: 3754200 33.7668 -0.50214 95.2344 -0.500911 233.514 25.2555 95.2339 25.257 -74.7237 GPRESSURE: 3754200 37.1691 52.2859 79.468 -30.9565 266.073 61.8988 94.3111 78.6428 -21.8322 PRESSAVG: 3754200 -83.996 -43.2458 -28.4177 -43.2459 75.1612 -10.1694 -28.4176 -10.1694 7.09138 GPRESSAVG: 3754200 -85.7184 -44.7242 -31.429 -42.3709 74.5159 -8.62107 -26.4978 -12.1907 8.56082 TIMING: 3754200 CPU: 11247.5, 0.00302868/step Wall: 11247.5, 0.00302868/step, 1.04809 hours remaining, 205.742188 MB of memory in use. ENERGY: 3754200 731.5527 2058.2017 1932.8775 113.0331 -206264.4588 18066.0152 0.0000 0.0000 34109.8007 -149252.9778 297.8894 -183362.7786 -149153.7295 298.4561 64.1857 93.8033 557824.9794 -0.5811 -0.8806 PRESSURE: 3754400 -219.796 -30.3851 83.0785 -30.3849 21.489 62.7427 83.0795 62.7437 -13.3049 GPRESSURE: 3754400 -185.585 -8.77163 142.393 -67.0365 69.7258 71.2227 50.8587 45.1919 3.6082 PRESSAVG: 3754400 -98.0697 -63.9716 -29.8642 -63.9716 81.2972 -42.3977 -29.8642 -42.3977 -27.1827 GPRESSAVG: 3754400 -98.03 -63.6643 -28.5836 -64.5651 83.422 -41.4766 -31.7005 -41.6703 -29.2334 TIMING: 3754400 CPU: 11248.1, 0.00303617/step Wall: 11248.1, 0.00303617/step, 1.05052 hours remaining, 205.742188 MB of memory in use. ENERGY: 3754400 760.2439 2099.1310 1947.7227 108.3325 -206046.8990 17584.0172 0.0000 0.0000 34326.4630 -149220.9887 299.7815 -183547.4517 -149122.0392 298.7593 -70.5373 -37.4171 557552.3629 -14.6517 -14.6138 PRESSURE: 3754600 391.232 -120.404 104.986 -120.405 156.899 53.7276 104.986 53.7283 -145.335 GPRESSURE: 3754600 392.2 -140.447 81.2407 -31.7056 190.424 28.1848 88.0807 105.684 -88.748 PRESSAVG: 3754600 -55.6288 7.59818 3.75189 7.59817 59.7219 -49.2584 3.75184 -49.2583 -21.6448 GPRESSAVG: 3754600 -55.4851 6.28057 4.10232 7.86733 58.0168 -51.7918 5.16297 -49.4582 -20.5082 TIMING: 3754600 CPU: 11248.7, 0.00302971/step Wall: 11248.7, 0.00302971/step, 1.04811 hours remaining, 205.742188 MB of memory in use. ENERGY: 3754600 725.6716 2145.9346 1924.6759 128.9325 -206325.5909 17984.9723 0.0000 0.0000 34231.7615 -149183.6425 298.9545 -183415.4040 -149094.0781 299.5357 134.2654 164.6253 558151.1741 -5.8506 -5.9922 PRESSURE: 3754800 47.8389 59.3455 -10.9359 59.3457 16.0256 -21.4228 -10.9369 -21.4234 149.849 GPRESSURE: 3754800 159.351 56.1202 -0.49716 -10.699 -46.9121 -74.3469 28.0907 4.5539 187.21 PRESSAVG: 3754800 -9.5719 11.7389 1.87283 11.739 21.3777 -6.92011 1.87299 -6.92019 -11.7798 GPRESSAVG: 3754800 -10.6647 13.0567 0.0785083 11.9887 21.8733 -4.91482 2.19616 -6.86003 -11.262 TIMING: 3754800 CPU: 11249.3, 0.003028/step Wall: 11249.3, 0.003028/step, 1.04735 hours remaining, 205.742188 MB of memory in use. ENERGY: 3754800 776.3132 2064.6840 1926.3478 123.7846 -206708.5381 18059.9385 0.0000 0.0000 34153.6745 -149603.7954 298.2725 -183757.4700 -149508.9918 298.3453 71.2378 99.8829 557493.4230 0.0087 -0.0178 PRESSURE: 3755000 205.134 12.0999 -97.3992 12.1001 228.417 27.4689 -97.3996 27.4714 88.1035 GPRESSURE: 3755000 191.26 31.7482 -70.7509 19.2585 256.767 -27.3423 -120.955 69.7087 173.481 PRESSAVG: 3755000 -17.1338 3.67685 -17.5049 3.67684 45.8057 -77.8176 -17.5049 -77.8175 -20.4352 GPRESSAVG: 3755000 -15.0348 4.57695 -16.7541 3.99888 44.8256 -79.9486 -18.154 -77.7518 -21.2272 TIMING: 3755000 CPU: 11249.9, 0.00300754/step Wall: 11249.9, 0.00300754/step, 1.04011 hours remaining, 206.000000 MB of memory in use. ENERGY: 3755000 771.2670 2046.8704 1905.7743 105.4648 -206665.9204 18301.6578 0.0000 0.0000 34031.5089 -149503.3772 297.2056 -183534.8862 -149413.1160 298.0075 173.8850 207.1696 556479.1963 2.7456 2.8545 PRESSURE: 3755200 -58.1666 -68.9338 -106.437 -68.9322 -244.823 49.887 -106.437 49.8866 -191.357 GPRESSURE: 3755200 -27.0306 -115.87 -24.8437 -34.8141 -205.782 139.468 -107.747 5.53615 -174.485 PRESSAVG: 3755200 39.4211 64.9454 49.9227 64.9455 -16.4806 11.144 49.9228 11.144 -46.7057 GPRESSAVG: 3755200 38.8874 64.5783 50.6584 64.205 -16.1995 13.3184 50.3542 13.0715 -47.1038 TIMING: 3755200 CPU: 11250.5, 0.00303261/step Wall: 11250.5, 0.00303261/step, 1.04861 hours remaining, 206.000000 MB of memory in use. ENERGY: 3755200 708.0793 2124.9815 1974.1419 109.4379 -206168.2716 17575.3471 0.0000 0.0000 34242.0061 -149434.2778 299.0440 -183676.2839 -149338.0198 298.7805 -164.7824 -135.7657 557468.0125 -7.9217 -8.1386 PRESSURE: 3755400 -10.9508 -77.9195 -193.495 -77.9192 96.4329 33.4359 -193.495 33.4363 -245.373 GPRESSURE: 3755400 55.6903 -90.4343 -198.533 -88.1973 82.6001 3.46966 -143.036 87.004 -212.875 PRESSAVG: 3755400 70.8929 23.4999 7.63711 23.5 34.5635 19.7205 7.63708 19.7203 -48.8939 GPRESSAVG: 3755400 70.8775 21.4809 7.80113 25.2341 34.8366 18.604 6.75491 16.8669 -48.9316 TIMING: 3755400 CPU: 11251.1, 0.00304334/step Wall: 11251.1, 0.00304334/step, 1.05215 hours remaining, 206.000000 MB of memory in use. ENERGY: 3755400 743.4426 2124.1395 1955.5444 110.4419 -206406.3066 17934.5119 0.0000 0.0000 34205.5017 -149332.7245 298.7252 -183538.2262 -149237.9400 298.4043 -53.2970 -24.8615 556360.6447 18.8542 18.9275 PRESSURE: 3755600 -163.891 -11.6735 156.011 -11.6743 -19.5635 54.0898 156.011 54.089 -185.154 GPRESSURE: 3755600 -149.586 14.3489 139.398 73.0286 45.697 39.53 144.621 63.9325 -158.757 PRESSAVG: 3755600 3.99677 -13.2556 -1.05325 -13.2556 -11.5557 -2.43447 -1.05304 -2.43451 13.2711 GPRESSAVG: 3755600 3.31292 -12.3118 0.125812 -13.4051 -11.4065 -0.649877 -2.07127 -0.899798 13.4567 TIMING: 3755600 CPU: 11251.7, 0.00303207/step Wall: 11251.7, 0.00303207/step, 1.04808 hours remaining, 206.000000 MB of memory in use. ENERGY: 3755600 748.6254 2080.8567 1965.6496 109.8830 -206167.1086 17761.3301 0.0000 0.0000 34374.6862 -149126.0776 300.2027 -183500.7638 -149032.3518 299.0365 -122.8695 -87.5486 557780.2480 1.9041 1.7877 PRESSURE: 3755800 18.6209 -99.1239 -141.863 -99.1241 -125.643 -3.20839 -141.862 -3.20789 65.3524 GPRESSURE: 3755800 7.84232 -109.205 -115.042 -52.4825 -46.9061 -45.783 -106.516 60.5426 88.0658 PRESSAVG: 3755800 -29.1591 -13.8783 25.8211 -13.8782 -0.581241 -19.4075 25.8211 -19.4075 25.2619 GPRESSAVG: 3755800 -28.7678 -12.2589 27.0109 -13.2486 0.120075 -20.7222 26.6666 -19.9366 24.0275 TIMING: 3755800 CPU: 11252.3, 0.00303541/step Wall: 11252.3, 0.00303541/step, 1.04907 hours remaining, 206.000000 MB of memory in use. ENERGY: 3755800 717.4279 2051.4385 1965.2424 109.7327 -206196.0477 17673.7814 0.0000 0.0000 34571.8273 -149106.5976 301.9244 -183678.4249 -149004.4620 299.8475 -13.8898 16.3340 556309.4187 -1.4928 -1.5401 PRESSURE: 3756000 -39.3315 -3.56104 36.1207 -3.56094 72.6021 -111.369 36.1192 -111.368 46.7202 GPRESSURE: 3756000 2.17367 21.8271 69.8805 -24.2733 119.876 -47.0177 8.88505 -162.014 35.8308 PRESSAVG: 3756000 54.1838 18.6268 53.3068 18.6267 34.2844 -10.0803 53.3068 -10.0805 -64.5566 GPRESSAVG: 3756000 54.3412 17.5324 51.3502 15.669 32.8387 -9.9614 53.8065 -9.70125 -63.3407 TIMING: 3756000 CPU: 11252.9, 0.0030457/step Wall: 11252.9, 0.0030457/step, 1.05246 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: 3756000 732.0789 2063.2097 1970.9652 119.0124 -205849.4240 17619.3171 0.0000 0.0000 34314.7681 -149030.0726 299.6794 -183344.8407 -148927.3271 300.3020 26.6636 52.6267 556501.4748 7.9705 7.9464 PRESSURE: 3756200 156.045 57.5144 -306.988 57.513 87.0276 24.2766 -306.989 24.2773 -99.5911 GPRESSURE: 3756200 189.337 73.4618 -435.028 61.1405 69.6662 -2.80493 -346.958 36.1056 -30.2396 PRESSAVG: 3756200 -54.0034 13.4865 -22.6907 13.4864 90.4354 -15.2783 -22.6908 -15.2783 -14.8146 GPRESSAVG: 3756200 -54.1633 13.8145 -22.8031 14.4536 90.8638 -14.6422 -23.1418 -15.3159 -15.2171 TIMING: 3756200 CPU: 11253.6, 0.00306035/step Wall: 11253.6, 0.00306035/step, 1.05735 hours remaining, 206.066406 MB of memory in use. ENERGY: 3756200 757.8619 2082.5867 1932.6076 120.5744 -206039.3469 17719.0909 0.0000 0.0000 34496.3529 -148930.2724 301.2652 -183426.6253 -148826.7472 300.2041 47.8271 76.2546 557144.8786 7.2058 7.1611 LDB: ============= START OF LOAD BALANCING ============== 11257 LDB: ============== END OF LOAD BALANCING =============== 11257 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11257 LDB: ============= START OF LOAD BALANCING ============== 11257.3 LDB: Largest compute 4820 load 0.022750 is 19.2% of average load 0.118232 LDB: Average compute 0.001715 is 1.5% of average load 0.118232 LDB: TIME 11257.3 LOAD: AVG 0.118232 MAX 0.22406 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.223 MB LDB: TIME 11257.3 LOAD: AVG 0.118232 MAX 0.22406 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.426 MB LDB: TIME 11257.3 LOAD: AVG 0.118232 MAX 0.22406 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.426 MB LDB: ============== END OF LOAD BALANCING =============== 11257.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11257.3 PRESSURE: 3756400 -102.701 -191.185 20.0563 -191.186 -29.7 109.035 20.0555 109.037 29.2781 GPRESSURE: 3756400 -57.8531 -166.758 73.1461 -194.824 -15.9215 27.5957 28.9209 124.255 61.3961 PRESSAVG: 3756400 -32.0088 7.87267 -36.1789 7.87274 -7.42061 8.05723 -36.1791 8.05721 35.8982 GPRESSAVG: 3756400 -32.092 6.47728 -35.7636 7.18676 -8.03038 9.7192 -35.5622 10.3457 36.5203 TIMING: 3756400 CPU: 11254.2, 0.00310427/step Wall: 11254.2, 0.00310427/step, 1.07235 hours remaining, 205.738281 MB of memory in use. ENERGY: 3756400 747.0374 2114.8219 1962.6013 118.8549 -205942.2193 17722.8952 0.0000 0.0000 34314.5797 -148961.4289 299.6778 -183276.0086 -148866.8855 300.5677 -34.3743 -4.1261 558483.6118 -1.1771 -1.2007 PRESSURE: 3756600 46.2106 -16.362 -47.6609 -16.3615 -45.8006 -8.9624 -47.661 -8.96264 -87.7403 GPRESSURE: 3756600 81.7548 35.7325 27.101 50.4391 21.0324 -48.7331 -31.3766 -22.8918 -84.9368 PRESSAVG: 3756600 -84.9372 26.7375 -14.0252 26.7375 15.9179 -43.0911 -14.0252 -43.0911 69.4165 GPRESSAVG: 3756600 -86.1541 27.7234 -13.9346 28.6962 17.0346 -44.704 -12.3896 -45.2848 69.2032 TIMING: 3756600 CPU: 11254.8, 0.00303788/step Wall: 11254.8, 0.00303788/step, 1.04925 hours remaining, 205.738281 MB of memory in use. ENERGY: 3756600 719.4421 2142.4511 1953.1754 107.5448 -206123.5925 17684.3129 0.0000 0.0000 34399.4278 -149117.2384 300.4188 -183516.6662 -149023.1164 299.6913 -29.1101 5.9501 559328.2371 0.1324 0.0279 PRESSURE: 3756800 -107.394 52.4894 143.586 52.4889 28.8509 -138.263 143.585 -138.263 -92.6683 GPRESSURE: 3756800 -162.731 -21.4652 143.26 5.842 116.526 -94.936 95.2917 -56.6668 -34.5569 PRESSAVG: 3756800 -105.796 -50.1245 30.4787 -50.1245 85.3771 12.1885 30.4788 12.1885 29.6743 GPRESSAVG: 3756800 -105.056 -50.0402 28.37 -52.5381 84.7744 11.1592 28.7208 12.3331 29.572 TIMING: 3756800 CPU: 11255.4, 0.00302026/step Wall: 11255.4, 0.00302026/step, 1.043 hours remaining, 205.738281 MB of memory in use. ENERGY: 3756800 756.8832 2137.0493 1923.4912 108.8221 -206403.3219 17818.0267 0.0000 0.0000 34581.1109 -149077.9384 302.0054 -183659.0493 -148980.6875 299.6047 -57.0703 -26.9204 558510.6549 3.0852 3.0969 PRESSURE: 3757000 209.144 -277.83 84.3928 -277.831 223.328 -118.133 84.3935 -118.132 -68.0554 GPRESSURE: 3757000 193.172 -206.783 100.79 -313.51 223.045 -115.741 82.1616 -84.3275 52.9782 PRESSAVG: 3757000 -21.0659 -85.0395 16.1704 -85.0395 28.2534 -24.0434 16.1704 -24.0436 -39.2712 GPRESSAVG: 3757000 -20.7097 -85.9118 18.3676 -84.3151 27.5714 -25.433 18.1497 -23.0702 -39.1443 TIMING: 3757000 CPU: 11256, 0.00304913/step Wall: 11256, 0.00304913/step, 1.0528 hours remaining, 205.738281 MB of memory in use. ENERGY: 3757000 784.0231 2061.7547 1934.9511 118.4355 -206233.2635 18188.0544 0.0000 0.0000 34187.1646 -148958.8802 298.5650 -183146.0448 -148864.0129 300.3150 121.4722 156.3984 557827.2490 -10.6945 -10.7608 PRESSURE: 3757200 128.844 -254.617 -104.701 -254.618 50.8548 -137.85 -104.702 -137.847 62.7286 GPRESSURE: 3757200 176.829 -300.545 -196.889 -199.5 89.8275 -81.6329 -91.7819 -157.562 67.731 PRESSAVG: 3757200 59.371 -35.6972 3.73229 -35.6972 10.3518 -10.8232 3.73228 -10.8231 -30.2999 GPRESSAVG: 3757200 57.7746 -35.8107 2.85024 -36.036 11.3023 -9.62023 2.65628 -9.52195 -29.837 TIMING: 3757200 CPU: 11256.6, 0.00302772/step Wall: 11256.6, 0.00302772/step, 1.04524 hours remaining, 205.738281 MB of memory in use. ENERGY: 3757200 732.3126 2102.3049 1946.8545 118.0094 -206029.5630 17750.1366 0.0000 0.0000 34530.1599 -148849.7852 301.5605 -183379.9451 -148754.6668 299.6556 80.8091 111.4625 558050.7676 13.1409 13.0800 PRESSURE: 3757400 -22.7458 132.049 68.0829 132.048 -164.292 -36.1516 68.0836 -36.1518 -67.224 GPRESSURE: 3757400 33.3788 129.35 43.0036 49.2563 -171.817 -22.2428 121.345 -16.6588 -2.70497 PRESSAVG: 3757400 -21.0468 6.12775 2.97034 6.12768 1.89561 -25.107 2.97031 -25.1069 -17.3225 GPRESSAVG: 3757400 -19.9552 6.02094 4.46784 5.89224 2.08275 -24.2145 3.30553 -25.1419 -18.5477 TIMING: 3757400 CPU: 11257.2, 0.00303378/step Wall: 11257.2, 0.00303378/step, 1.04716 hours remaining, 205.738281 MB of memory in use. ENERGY: 3757400 748.9347 2103.2974 1969.1960 111.2471 -206255.9601 17878.9409 0.0000 0.0000 34440.6429 -149003.7011 300.7787 -183444.3440 -148908.2776 300.5320 -84.7541 -47.0478 560189.1776 -12.1579 -12.1401 PRESSURE: 3757600 -58.2143 -115.245 -1.5182 -115.245 -99.7136 103.998 -1.51815 103.998 -27.2164 GPRESSURE: 3757600 15.2016 -130.998 74.0519 -77.0517 -101.115 202.348 -41.1694 36.077 -11.2456 PRESSAVG: 3757600 -48.4818 49.7835 23.6101 49.7834 8.02128 -15.2664 23.6102 -15.2664 22.8808 GPRESSAVG: 3757600 -48.1495 50.2107 23.5993 48.0562 7.0695 -14.8938 23.7987 -17.3829 22.9645 TIMING: 3757600 CPU: 11257.8, 0.00302862/step Wall: 11257.8, 0.00302862/step, 1.04521 hours remaining, 205.738281 MB of memory in use. ENERGY: 3757600 781.5704 2069.4763 1956.1436 112.9141 -206266.2941 17851.9815 0.0000 0.0000 34346.7012 -149147.5070 299.9583 -183494.2082 -149058.1452 299.7214 -61.7148 -32.3863 558554.0347 -5.8599 -6.0385 PRESSURE: 3757800 -109.81 4.50902 -37.1672 4.50856 -114.322 -70.2101 -37.1658 -70.2118 40.4737 GPRESSURE: 3757800 -81.9212 -15.0016 -138.501 22.5503 -77.1661 -95.7369 -61.7184 -30.9999 74.9949 PRESSAVG: 3757800 -48.409 18.0522 10.1043 18.0523 -37.3038 -12.9358 10.1043 -12.9358 58.0071 GPRESSAVG: 3757800 -49.1968 18.3738 11.712 20.7403 -35.6902 -13.2036 7.24529 -10.1421 57.7674 TIMING: 3757800 CPU: 11258.4, 0.00304386/step Wall: 11258.4, 0.00304386/step, 1.0503 hours remaining, 205.738281 MB of memory in use. ENERGY: 3757800 736.9980 2166.5026 1965.2597 127.8914 -206079.5075 17671.9274 0.0000 0.0000 34158.4463 -149252.4820 298.3142 -183410.9283 -149157.4789 299.0095 -61.2195 -28.0308 559269.5146 -9.2352 -9.0398 PRESSURE: 3758000 -24.1762 -273.136 -82.5783 -273.136 82.2917 41.752 -82.5793 41.7526 -44.9791 GPRESSURE: 3758000 19.1734 -268.821 -66.7113 -335.59 122.984 106.954 -71.8008 -9.33087 -27.5372 PRESSAVG: 3758000 3.68051 -22.9132 -20.2518 -22.9132 -14.9349 -21.2613 -20.2518 -21.2612 11.5258 GPRESSAVG: 3758000 4.4221 -23.2445 -23.9211 -23.6486 -16.2224 -19.9727 -17.9247 -25.0385 12.033 TIMING: 3758000 CPU: 11259, 0.00303436/step Wall: 11259, 0.00303436/step, 1.04686 hours remaining, 205.738281 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: 3758000 748.6577 2127.3998 1932.7253 112.9164 -206159.4988 17807.9578 0.0000 0.0000 34066.2524 -149363.5895 297.5091 -183429.8419 -149266.2654 299.1627 4.3788 38.2067 557886.0324 0.0905 0.0776 PRESSURE: 3758200 213.317 0.90705 -45.871 0.906768 -259.414 30.6615 -45.8724 30.662 -256.489 GPRESSURE: 3758200 236.866 9.02188 -89.109 -26.9389 -210.806 -33.9855 -5.07242 80.1347 -234.952 PRESSAVG: 3758200 41.1019 -25.2798 -30.3493 -25.2798 -16.9231 77.9519 -30.3493 77.9518 -0.82566 GPRESSAVG: 3758200 39.8894 -24.4467 -28.6028 -24.9449 -16.7506 77.7624 -31.9831 79.1661 -0.111245 TIMING: 3758200 CPU: 11259.6, 0.0030333/step Wall: 11259.6, 0.0030333/step, 1.04632 hours remaining, 205.738281 MB of memory in use. ENERGY: 3758200 731.0921 2108.0907 1957.3368 116.2957 -206377.2830 17791.3034 0.0000 0.0000 34326.3984 -149346.7660 299.7810 -183673.1644 -149245.3665 298.7517 -100.8621 -69.6305 558917.6256 7.7844 7.6758 PRESSURE: 3758400 -135.218 11.4418 -16.5477 11.4416 -280.837 6.59768 -16.5479 6.5979 -59.1411 GPRESSURE: 3758400 -114.061 28.8147 -62.5255 81.2299 -209.38 -7.20104 27.8306 -41.688 -40.9908 PRESSAVG: 3758400 127.456 -19.0943 -6.42379 -19.0943 -116.03 38.454 -6.42367 38.454 29.7866 GPRESSAVG: 3758400 127.211 -18.0363 -7.66807 -19.9626 -116.271 36.8859 -6.03719 38.6919 30.1544 TIMING: 3758400 CPU: 11260.2, 0.00302339/step Wall: 11260.2, 0.00302339/step, 1.04273 hours remaining, 205.738281 MB of memory in use. ENERGY: 3758400 759.2797 2077.8757 1928.1622 110.2285 -206236.3128 17804.6007 0.0000 0.0000 34208.8983 -149347.2677 298.7548 -183556.1660 -149249.5981 298.6763 -158.3987 -121.4773 559129.2940 13.7376 13.6981 PRESSURE: 3758600 76.7156 16.7012 31.9848 16.7009 29.8978 -137.025 31.9847 -137.026 258.941 GPRESSURE: 3758600 109.809 74.7967 56.78 -9.8348 68.8703 -206.945 46.2649 -113.404 280.054 PRESSAVG: 3758600 31.2573 7.46939 -2.07309 7.46942 -12.3563 -13.0173 -2.0731 -13.0174 -9.99943 GPRESSAVG: 3758600 31.21 6.37727 -0.5215 7.27541 -11.6465 -11.8117 -1.65511 -15.5898 -10.761 TIMING: 3758600 CPU: 11260.9, 0.00309241/step Wall: 11260.9, 0.00309241/step, 1.06637 hours remaining, 205.738281 MB of memory in use. ENERGY: 3758600 712.8335 2071.0223 1927.1888 111.2952 -206119.8382 17862.1733 0.0000 0.0000 34300.8103 -149134.5148 299.5575 -183435.3251 -149035.8052 298.8673 121.8514 152.9111 559122.1780 2.9672 2.9342 PRESSURE: 3758800 -119.092 122.877 90.9923 122.877 -25.3571 -136.529 90.9913 -136.527 81.6151 GPRESSURE: 3758800 -34.4306 234.554 123.786 54.2855 -19.6974 -162.603 76.8828 -86.101 98.4573 PRESSAVG: 3758800 32.5975 -39.0378 4.92111 -39.0378 -15.1979 -10.6315 4.92115 -10.6316 -19.5192 GPRESSAVG: 3758800 33.4347 -38.0782 3.28247 -40.644 -15.919 -10.7445 6.32385 -7.75943 -19.7219 TIMING: 3758800 CPU: 11261.5, 0.00309674/step Wall: 11261.5, 0.00309674/step, 1.06769 hours remaining, 205.738281 MB of memory in use. ENERGY: 3758800 753.6101 2072.9398 1963.1449 98.8776 -206111.6267 17702.7668 0.0000 0.0000 34448.1237 -149072.1638 300.8440 -183520.2876 -148971.0226 299.7793 -20.9446 14.7765 557627.4590 -0.7065 -0.7354 PRESSURE: 3759000 120.464 175.593 -102.921 175.594 99.6056 48.1433 -102.922 48.1409 362.067 GPRESSURE: 3759000 119.371 160.007 16.5787 155.363 148.777 -14.2178 -174.383 53.6082 415.841 PRESSAVG: 3759000 23.5538 5.63615 12.2176 5.63616 -36.7184 5.84826 12.2176 5.8482 -13.8213 GPRESSAVG: 3759000 23.9319 3.97101 14.1438 6.85041 -36.277 6.99532 10.3356 4.61056 -15.114 TIMING: 3759000 CPU: 11262.1, 0.00307616/step Wall: 11262.1, 0.00307616/step, 1.06042 hours remaining, 205.738281 MB of memory in use. ENERGY: 3759000 750.0674 2077.5474 1938.1792 110.9582 -205997.9628 17965.7999 0.0000 0.0000 34130.5030 -149024.9076 298.0702 -183155.4106 -148929.1229 299.1094 194.0457 227.9960 558147.8892 -8.9953 -9.1530 PRESSURE: 3759200 37.9844 2.40575 117.208 2.40541 -139.632 94.336 117.207 94.3362 -22.1241 GPRESSURE: 3759200 72.4629 60.5722 152.524 4.59015 -78.2758 170.462 99.7162 72.3499 -28.0703 PRESSAVG: 3759200 -14.688 -6.1597 -21.5849 -6.15958 5.73257 32.9918 -21.5849 32.9918 -27.464 GPRESSAVG: 3759200 -15.4804 -6.98816 -23.4838 -3.69387 5.1986 31.9563 -21.3133 36.1405 -26.3957 TIMING: 3759200 CPU: 11262.7, 0.00308803/step Wall: 11262.7, 0.00308803/step, 1.06434 hours remaining, 205.738281 MB of memory in use. ENERGY: 3759200 719.4758 2063.1080 1948.8897 115.8198 -205932.7771 17693.0230 0.0000 0.0000 34283.4107 -149109.0502 299.4056 -183392.4609 -149009.8177 299.9437 -41.2571 -11.2944 559395.9425 -12.1398 -12.2258 PRESSURE: 3759400 -202.851 57.5417 -75.9286 57.5419 -134.221 178.983 -75.9289 178.982 -228.41 GPRESSURE: 3759400 -161.006 118.378 -33.1535 110.269 -88.2158 131.78 -162.754 185.726 -209.031 PRESSAVG: 3759400 30.3981 3.98902 -0.552884 3.98908 -75.0035 28.7787 -0.552896 28.7787 19.9064 GPRESSAVG: 3759400 31.6763 4.01062 0.780149 3.90194 -74.3133 28.0804 -0.68756 28.7123 18.9609 TIMING: 3759400 CPU: 11263.3, 0.00305265/step Wall: 11263.3, 0.00305265/step, 1.05198 hours remaining, 205.738281 MB of memory in use. ENERGY: 3759400 749.3270 2151.9274 1927.9679 110.5137 -206191.4965 17819.9384 0.0000 0.0000 34311.0117 -149120.8105 299.6466 -183431.8222 -149022.7566 299.4948 -188.4938 -152.7506 559576.1246 -8.2330 -7.8920 PRESSURE: 3759600 -151.485 -76.7416 -15.6185 -76.7424 -30.8146 45.9125 -15.6186 45.9111 -95.5055 GPRESSURE: 3759600 -74.6057 -107.42 -24.6785 -46.3511 17.6144 75.6787 17.8272 65.7645 -122.285 PRESSAVG: 3759600 4.54423 81.1647 4.86624 81.1647 37.853 24.0508 4.86624 24.0509 9.35757 GPRESSAVG: 3759600 5.88122 82.5318 5.64313 79.3279 36.549 24.2729 5.90467 22.6587 8.93817 TIMING: 3759600 CPU: 11263.9, 0.00305917/step Wall: 11263.9, 0.00305917/step, 1.05405 hours remaining, 205.738281 MB of memory in use. ENERGY: 3759600 754.9774 2087.4234 1946.2516 109.5999 -206119.8375 17711.3304 0.0000 0.0000 34363.9656 -149146.2891 300.1091 -183510.2547 -149047.9095 299.7228 -92.6016 -59.7586 558048.7116 17.2516 17.1228 PRESSURE: 3759800 -333.167 185.917 23.9851 185.917 -231.071 -168.178 23.9851 -168.176 -252.345 GPRESSURE: 3759800 -307.839 182.928 26.7843 140.55 -197.265 -225.419 51.4765 -189.298 -227.457 PRESSAVG: 3759800 6.52081 90.9888 21.0971 90.9888 34.6217 -36.4249 21.0972 -36.4249 -40.2433 GPRESSAVG: 3759800 3.26313 89.3907 21.1213 89.9212 35.9199 -35.6704 19.1234 -37.2195 -38.3068 TIMING: 3759800 CPU: 11264.5, 0.00304284/step Wall: 11264.5, 0.00304284/step, 1.04826 hours remaining, 205.738281 MB of memory in use. ENERGY: 3759800 771.6038 2100.0188 1940.5976 126.1160 -205433.9823 17260.1983 0.0000 0.0000 34163.2736 -149072.1741 298.3564 -183235.4477 -148968.0690 299.8176 -272.1943 -244.1873 557421.8882 0.2998 0.2921 PRESSURE: 3760000 -242.781 101.902 -60.862 101.902 -8.36932 135.068 -60.8612 135.069 54.6163 GPRESSURE: 3760000 -258.38 130.714 -89.3703 76.3547 76.2583 118.955 -52.5854 156.877 79.8712 PRESSAVG: 3760000 -26.8676 9.70164 -33.7896 9.70157 -14.8566 -13.7389 -33.7895 -13.739 -5.34628 GPRESSAVG: 3760000 -24.7552 9.45643 -34.7929 11.1264 -17.1211 -14.7659 -31.9871 -12.7536 -5.18673 TIMING: 3760000 CPU: 11265.2, 0.00304117/step Wall: 11265.2, 0.00304117/step, 1.04752 hours remaining, 205.738281 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: 3760000 796.3528 2086.9551 1933.6953 133.9677 -205886.2484 17636.5816 0.0000 0.0000 34336.1668 -148962.5291 299.8663 -183298.6959 -148868.0300 300.0308 -65.5115 -34.0835 558265.7736 -15.6902 -15.6877 PRESSURE: 3760200 -215.664 -115.694 -253.318 -115.695 -317.35 -31.1252 -253.319 -31.1267 -368.344 GPRESSURE: 3760200 -229.427 -8.49346 -259.362 -187.662 -294.166 -69.3765 -152.527 -43.8607 -283.074 PRESSAVG: 3760200 -11.4236 -15.9912 -42.1851 -15.9913 -4.25603 17.8301 -42.1851 17.8302 56.8071 GPRESSAVG: 3760200 -10.6336 -14.9642 -40.6962 -17.155 -4.29264 17.459 -42.4038 16.7087 56.4008 TIMING: 3760200 CPU: 11265.8, 0.00303779/step Wall: 11265.8, 0.00303779/step, 1.04618 hours remaining, 205.738281 MB of memory in use. ENERGY: 3760200 789.7589 2086.7040 1966.6712 120.7891 -205645.2706 17395.8119 0.0000 0.0000 34310.7097 -148974.8257 299.6440 -183285.5354 -148873.8105 300.1609 -300.4528 -268.8888 559029.1641 13.7092 13.8248 LDB: ============= START OF LOAD BALANCING ============== 11269.2 LDB: ============== END OF LOAD BALANCING =============== 11269.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11269.2 LDB: ============= START OF LOAD BALANCING ============== 11269.5 LDB: Largest compute 4820 load 0.022607 is 19.1% of average load 0.118195 LDB: Average compute 0.001708 is 1.4% of average load 0.118195 LDB: TIME 11269.5 LOAD: AVG 0.118195 MAX 0.222417 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.738 MB LDB: TIME 11269.5 LOAD: AVG 0.118195 MAX 0.222417 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: TIME 11269.5 LOAD: AVG 0.118195 MAX 0.222417 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11269.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11269.5 PRESSURE: 3760400 46.115 -48.2948 -202.42 -48.2931 -59.9793 11.5721 -202.418 11.5729 -175.088 GPRESSURE: 3760400 88.9612 -36.2546 -117.186 -36.0857 -0.323369 17.6801 -234.678 -60.6487 -181.104 PRESSAVG: 3760400 -6.72758 -61.4423 30.7716 -61.4422 16.1863 2.14852 30.7716 2.14859 -33.551 GPRESSAVG: 3760400 -8.23554 -60.8728 29.725 -62.2653 16.2605 3.13367 29.3656 0.471758 -32.3473 TIMING: 3760400 CPU: 11266.4, 0.00311119/step Wall: 11266.4, 0.00311119/step, 1.07129 hours remaining, 207.238281 MB of memory in use. ENERGY: 3760400 756.1081 2126.2806 1968.3783 124.9805 -206222.0736 17782.7033 0.0000 0.0000 34490.8404 -148972.7823 301.2171 -183463.6228 -148877.5214 300.0551 -62.9841 -30.8220 559341.0970 -8.0308 -8.1074 PRESSURE: 3760600 -196.797 -26.033 -69.9629 -26.032 -94.3672 8.11957 -69.9607 8.11953 -43.1096 GPRESSURE: 3760600 -70.6971 -34.9556 -20.901 -112.005 -54.5671 44.9213 -102.567 0.522477 -92.0222 PRESSAVG: 3760600 31.7363 -29.1077 6.93365 -29.1076 7.82957 -65.024 6.93367 -65.0241 -58.0966 GPRESSAVG: 3760600 32.9499 -29.0532 7.25171 -30.248 8.57039 -65.8986 8.29523 -62.0717 -60.35 TIMING: 3760600 CPU: 11267, 0.00305968/step Wall: 11267, 0.00305968/step, 1.05338 hours remaining, 207.308594 MB of memory in use. ENERGY: 3760600 740.9357 2070.7541 1973.9496 118.1461 -206056.1600 17744.4659 0.0000 0.0000 34274.5722 -149133.3364 299.3284 -183407.9087 -149027.5795 299.2903 -111.4245 -72.4288 558244.7909 -6.1769 -6.2766 PRESSURE: 3760800 -102.275 100.468 40.7885 100.469 44.2243 -40.4824 40.7892 -40.4811 42.5952 GPRESSURE: 3760800 -45.277 51.9219 -1.46526 195.692 70.4211 -6.73998 97.1721 -55.0081 58.6969 PRESSAVG: 3760800 25.6065 -55.9389 -0.601498 -55.9389 -9.95456 7.72055 -0.601488 7.7206 -14.2239 GPRESSAVG: 3760800 24.0536 -57.1331 -1.11899 -52.9306 -8.02164 6.83468 1.16402 8.76315 -15.2244 TIMING: 3760800 CPU: 11267.6, 0.00308408/step Wall: 11267.6, 0.00308408/step, 1.06161 hours remaining, 207.308594 MB of memory in use. ENERGY: 3760800 756.6885 2134.3495 1964.0261 110.8853 -206401.3758 17782.3960 0.0000 0.0000 34309.6297 -149343.4006 299.6345 -183653.0304 -149251.8325 299.5263 -5.1518 27.9470 557072.8312 0.4760 0.2692 PRESSURE: 3761000 25.8239 -19.9944 147.447 -19.9938 -110.485 -50.2876 147.447 -50.2857 -155.872 GPRESSURE: 3761000 -2.99528 34.0726 203.927 -8.63527 -51.5832 -18.4402 162.913 -137.821 -101.982 PRESSAVG: 3761000 3.8411 -16.0384 -46.6121 -16.0384 9.36638 -36.1107 -46.612 -36.1107 -11.4096 GPRESSAVG: 3761000 3.9493 -16.3237 -46.4467 -17.1908 6.06552 -34.6111 -46.1623 -38.4148 -8.96531 TIMING: 3761000 CPU: 11268.2, 0.00306731/step Wall: 11268.2, 0.00306731/step, 1.05567 hours remaining, 207.308594 MB of memory in use. ENERGY: 3761000 756.1249 2114.8107 1970.7621 103.4690 -206245.8798 17691.5747 0.0000 0.0000 34105.1970 -149503.9414 297.8492 -183609.1384 -149406.7608 298.9662 -80.1777 -52.1868 557815.3985 0.5993 0.3498 PRESSURE: 3761200 -96.2655 137.38 37.6768 137.38 68.205 106.846 37.6786 106.846 -77.4523 GPRESSURE: 3761200 -38.2784 83.817 25.0331 175.543 96.621 68.2011 -37.0456 79.5134 -67.6041 PRESSAVG: 3761200 -2.12047 0.769278 15.6351 0.769205 29.1836 44.9969 15.6351 44.9968 -46.7528 GPRESSAVG: 3761200 -2.06596 0.650221 17.7384 1.17557 30.0029 44.6564 14.7353 46.3177 -47.455 TIMING: 3761200 CPU: 11268.8, 0.00304275/step Wall: 11268.8, 0.00304275/step, 1.04704 hours remaining, 207.308594 MB of memory in use. ENERGY: 3761200 778.9195 2095.8276 1967.7566 106.7626 -206780.4079 17931.5547 0.0000 0.0000 34331.1926 -149568.3943 299.8228 -183899.5870 -149475.9308 298.8589 -35.1710 -3.0872 557257.7876 -6.5632 -6.5060 PRESSURE: 3761400 -12.7978 37.424 27.0012 37.4241 13.736 -17.2578 27.0004 -17.2565 76.42 GPRESSURE: 3761400 12.7571 55.8466 8.60065 118.589 37.8188 -18.1974 168.352 10.1027 132.622 PRESSAVG: 3761400 22.8327 2.4184 4.35148 2.41849 -63.7073 -11.0892 4.3515 -11.0891 20.6534 GPRESSAVG: 3761400 23.4504 3.49682 1.80363 0.981742 -64.4681 -12.5425 4.13894 -11.1972 20.5987 TIMING: 3761400 CPU: 11269.4, 0.00305523/step Wall: 11269.4, 0.00305523/step, 1.05117 hours remaining, 207.308594 MB of memory in use. ENERGY: 3761400 721.2062 2072.1679 1946.1194 115.5310 -206502.6844 17913.6009 0.0000 0.0000 34043.2584 -149690.8007 297.3082 -183734.0590 -149596.1655 298.3830 25.7860 61.0660 556888.7182 -6.7404 -6.8063 PRESSURE: 3761600 0.13516 34.6891 185.756 34.6875 174.031 38.6228 185.756 38.6213 10.3421 GPRESSURE: 3761600 37.0465 32.1455 175.291 77.1866 242.832 45.0059 194.359 47.9619 2.95652 PRESSAVG: 3761600 -26.8926 13.938 90.4714 13.938 13.4632 -5.98973 90.4715 -5.98976 -1.96083 GPRESSAVG: 3761600 -27.4699 14.4277 92.8204 15.1785 14.2768 -4.77672 89.9694 -6.8062 -2.01135 TIMING: 3761600 CPU: 11270.1, 0.0030588/step Wall: 11270.1, 0.0030588/step, 1.05223 hours remaining, 207.308594 MB of memory in use. ENERGY: 3761600 760.5191 2059.7818 1944.3263 117.9645 -206773.9834 18061.4798 0.0000 0.0000 34156.1637 -149673.7482 298.2943 -183829.9119 -149573.5783 297.8887 61.5028 94.2783 557506.5440 -5.1301 -5.0682 PRESSURE: 3761800 -150.648 0.797527 -215.11 0.797089 3.85922 71.7092 -215.11 71.7099 43.1832 GPRESSURE: 3761800 -135.631 5.05837 -179.192 -45.0883 27.2347 91.4629 -173.343 84.4458 91.9403 PRESSAVG: 3761800 25.6629 -33.6087 8.45139 -33.6087 44.4435 17.2676 8.45136 17.2677 -39.5923 GPRESSAVG: 3761800 25.5956 -34.9239 6.48113 -34.119 44.3185 17.35 8.63615 17.5702 -39.4845 TIMING: 3761800 CPU: 11270.7, 0.00301993/step Wall: 11270.7, 0.00301993/step, 1.03869 hours remaining, 207.308594 MB of memory in use. ENERGY: 3761800 718.1497 2129.5180 1934.0181 102.3167 -206392.6319 17752.4288 0.0000 0.0000 33978.1193 -149778.0813 296.7394 -183756.2006 -149675.2810 297.8324 -34.5352 -5.4853 557440.4163 10.1714 10.1432 PRESSURE: 3762000 163.163 -91.3001 -61.1685 -91.3006 15.7494 -13.4396 -61.169 -13.4406 -80.2222 GPRESSURE: 3762000 171.947 -102.254 -94.2467 8.07398 51.1462 24.0128 -82.9306 27.344 -19.2407 PRESSAVG: 3762000 40.4696 43.9299 -3.42885 43.93 21.4526 13.7628 -3.42888 13.7628 -67.0041 GPRESSAVG: 3762000 41.4284 44.9481 -2.87838 44.3327 20.6676 14.4265 -2.92253 12.6521 -66.7008 TIMING: 3762000 CPU: 11271.3, 0.00301398/step Wall: 11271.3, 0.00301398/step, 1.03647 hours remaining, 207.308594 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: 3762000 769.5191 2109.8859 1937.2262 121.1974 -206665.8083 17878.3272 0.0000 0.0000 33909.0112 -149940.6413 296.1358 -183849.6525 -149844.8657 297.2588 32.8967 67.9509 555541.9970 -1.6940 -1.5349 PRESSURE: 3762200 -103.936 3.48918 101.334 3.48926 -176.409 29.2554 101.333 29.2563 -237.311 GPRESSURE: 3762200 -41.9014 -12.4233 108.373 126.486 -150.108 13.8712 80.6181 52.5094 -229.929 PRESSAVG: 3762200 24.1629 107.347 24.8641 107.347 -23.8281 -11.5481 24.8641 -11.5479 -2.56171 GPRESSAVG: 3762200 23.4582 108.202 26.2096 107.02 -22.5238 -11.9693 23.9776 -10.4725 -3.43165 TIMING: 3762200 CPU: 11271.9, 0.00304581/step Wall: 11271.9, 0.00304581/step, 1.04725 hours remaining, 207.308594 MB of memory in use. ENERGY: 3762200 742.3299 2095.8402 1914.6777 103.1748 -206458.4788 17658.8279 0.0000 0.0000 34012.1087 -149931.5195 297.0362 -183943.6282 -149839.4998 297.3447 -172.5519 -140.6461 556659.1480 -0.7423 -0.8324 PRESSURE: 3762400 -385.937 -108.421 -129.409 -108.421 29.4791 -24.463 -129.409 -24.4646 101.757 GPRESSURE: 3762400 -268.917 -125.002 -178.077 -120.433 15.2556 -32.3639 -55.5438 -27.8113 98.6643 PRESSAVG: 3762400 -2.38968 3.83299 -8.53127 3.83291 43.3294 4.61072 -8.53135 4.61074 -41.6046 GPRESSAVG: 3762400 -1.79944 1.59926 -8.44269 4.0566 43.2371 3.50919 -9.35545 4.44605 -42.2831 TIMING: 3762400 CPU: 11272.5, 0.0030473/step Wall: 11272.5, 0.0030473/step, 1.04759 hours remaining, 207.308594 MB of memory in use. ENERGY: 3762400 751.7726 2044.3808 1960.1113 114.1429 -206953.0492 17936.0511 0.0000 0.0000 34248.9840 -149897.6064 299.1049 -184146.5905 -149791.7337 297.4222 -84.9004 -51.6658 555454.8972 -0.2216 -0.2818 PRESSURE: 3762600 -142.831 -164.66 61.5079 -164.659 62.3952 -106.149 61.5071 -106.15 104.559 GPRESSURE: 3762600 -133.413 -198.752 -29.3034 -78.2934 73.3394 -155.674 104.369 -73.1404 177.544 PRESSAVG: 3762600 -16.4293 -28.4829 -32.9744 -28.483 15.6912 13.4644 -32.9744 13.4644 7.73049 GPRESSAVG: 3762600 -17.251 -28.9559 -35.0784 -26.4477 16.2432 14.7972 -32.6279 11.6752 8.50015 TIMING: 3762600 CPU: 11273.1, 0.00303546/step Wall: 11273.1, 0.00303546/step, 1.04336 hours remaining, 207.308594 MB of memory in use. ENERGY: 3762600 738.0320 2128.8384 1925.8494 121.4419 -206982.2599 18072.6773 0.0000 0.0000 34101.9401 -149893.4807 297.8207 -183995.4208 -149785.5109 297.5890 8.0413 39.1566 556780.3191 2.3308 2.4975 PRESSURE: 3762800 -307.658 -105.676 -8.73917 -105.677 -98.2871 97.5443 -8.7396 97.5438 -222.813 GPRESSURE: 3762800 -298.586 -88.6796 42.3115 -151.259 -10.3057 104.772 53.1979 96.0322 -230.5 PRESSAVG: 3762800 13.25 -34.6983 9.46172 -34.6983 25.1495 -25.1498 9.46164 -25.1497 32.3175 GPRESSAVG: 3762800 13.5895 -32.2257 11.5607 -37.3126 24.5967 -25.7449 10.8545 -24.0082 32.3817 TIMING: 3762800 CPU: 11273.7, 0.00306776/step Wall: 11273.7, 0.00306776/step, 1.05429 hours remaining, 207.308594 MB of memory in use. ENERGY: 3762800 726.6889 2084.3518 1909.5827 110.8903 -206577.1002 17649.6416 0.0000 0.0000 34239.2863 -149856.6587 299.0202 -184095.9450 -149762.0820 297.3626 -209.5860 -179.7972 557320.9817 23.5723 23.5226 PRESSURE: 3763000 99.7586 -69.4979 -40.4126 -69.499 -43.3993 -49.3833 -40.4118 -49.3829 286.235 GPRESSURE: 3763000 102.358 41.1764 -10.1085 -124.553 94.4517 -44.0201 -71.4262 -119.675 243.219 PRESSAVG: 3763000 -22.9738 -14.0468 -50.2038 -14.0468 15.3924 37.0384 -50.2038 37.0384 -3.71402 GPRESSAVG: 3763000 -24.1636 -15.2177 -51.2297 -13.6817 15.8797 34.8329 -49.6236 37.3174 -2.79652 TIMING: 3763000 CPU: 11274.3, 0.0030139/step Wall: 11274.3, 0.0030139/step, 1.03561 hours remaining, 207.308594 MB of memory in use. ENERGY: 3763000 751.4760 2081.5268 1925.0254 105.4563 -206961.2701 18082.7162 0.0000 0.0000 34260.4229 -149754.6466 299.2048 -184015.0695 -149660.4300 298.1859 114.1981 146.6762 555559.8482 -3.7651 -3.6935 PRESSURE: 3763200 -171.934 -39.6029 32.9946 -39.6022 -19.5723 -18.2656 32.9947 -18.2649 -64.7921 GPRESSURE: 3763200 -149.611 -104.727 -54.3046 -85.1296 22.859 83.3294 90.4793 -45.7715 -32.5796 PRESSAVG: 3763200 -26.1979 -47.4593 1.57185 -47.4592 52.7497 -11.1238 1.57189 -11.1237 -13.0695 GPRESSAVG: 3763200 -25.2988 -47.9812 1.79201 -47.9116 51.1701 -8.24099 0.755978 -13.1531 -12.8697 TIMING: 3763200 CPU: 11274.9, 0.00303789/step Wall: 11274.9, 0.00303789/step, 1.04368 hours remaining, 207.308594 MB of memory in use. ENERGY: 3763200 759.7517 2084.0966 1939.2877 116.8212 -206760.6331 17742.0493 0.0000 0.0000 34387.6639 -149730.9627 300.3160 -184118.6266 -149633.8004 298.1264 -85.4327 -53.1106 556770.1094 4.4941 4.3339 PRESSURE: 3763400 -38.2555 15.0382 85.0036 15.0384 65.6079 158.563 85.0027 158.564 163.791 GPRESSURE: 3763400 52.2425 13.4293 53.5263 -15.3711 82.6914 90.9075 57.6351 171.026 137.405 PRESSAVG: 3763400 -21.7478 -70.5039 -45.457 -70.5038 -19.279 -2.45879 -45.4569 -2.45881 31.3629 GPRESSAVG: 3763400 -21.4278 -68.5888 -44.7375 -72.7425 -18.6893 -4.29186 -43.6338 -1.1762 31.3261 TIMING: 3763400 CPU: 11275.5, 0.00303521/step Wall: 11275.5, 0.00303521/step, 1.04259 hours remaining, 207.308594 MB of memory in use. ENERGY: 3763400 740.5383 2097.7685 1967.0285 108.4650 -206767.0943 17990.6640 0.0000 0.0000 34195.7123 -149666.9178 298.6397 -183862.6301 -149576.3756 297.3497 63.7146 90.7797 556637.1241 -3.2213 -2.9304 PRESSURE: 3763600 -198.999 65.5705 54.1748 65.5716 -394.407 -5.86224 54.1739 -5.86259 -198.846 GPRESSURE: 3763600 -235.375 -7.0773 77.9207 75.2323 -300.065 -136.69 16.9804 25.4149 -150.493 PRESSAVG: 3763600 -6.76608 -77.2277 -20.4663 -77.2277 32.7669 -23.4447 -20.4663 -23.4447 -47.2809 GPRESSAVG: 3763600 -7.59476 -78.42 -21.8925 -74.3486 33.7175 -21.3627 -20.1424 -25.8766 -47.6123 TIMING: 3763600 CPU: 11276.1, 0.00303089/step Wall: 11276.1, 0.00303089/step, 1.04094 hours remaining, 207.308594 MB of memory in use. ENERGY: 3763600 762.1399 2089.1977 1959.2092 117.2656 -205998.5434 17463.0839 0.0000 0.0000 33968.5556 -149639.0916 296.6558 -183607.6471 -149539.4954 298.5748 -264.0842 -228.6445 558978.4788 -7.0934 -7.1632 PRESSURE: 3763800 2.53741 19.4348 36.0713 19.4343 -141.704 -113.989 36.0709 -113.988 -206.591 GPRESSURE: 3763800 47.1837 5.14779 36.5769 82.2718 -107.043 -146.342 -27.7601 -43.2027 -185.284 PRESSAVG: 3763800 -41.9722 -32.7758 7.6244 -32.7758 -10.9468 -53.4084 7.62442 -53.4084 2.57449 GPRESSAVG: 3763800 -42.5089 -34.928 8.62564 -31.8171 -10.8305 -56.4171 5.8376 -51.7953 2.64441 TIMING: 3763800 CPU: 11276.7, 0.00307228/step Wall: 11276.7, 0.00307228/step, 1.05499 hours remaining, 207.308594 MB of memory in use. ENERGY: 3763800 743.1138 2024.6759 1971.0540 113.0851 -206186.0215 17741.1344 0.0000 0.0000 34052.8145 -149540.1438 297.3917 -183592.9582 -149446.7574 297.4518 -115.2523 -81.7146 556616.9122 -16.7815 -16.8983 PRESSURE: 3764000 182.671 -179.732 -209.519 -179.73 118.763 112.615 -209.519 112.617 195.675 GPRESSURE: 3764000 239.3 -106.674 -219.4 -171.179 139.681 74.2178 -150.7 44.8073 214.239 PRESSAVG: 3764000 0.602982 4.24738 28.2886 4.24723 15.1687 19.9117 28.2884 19.9116 3.99438 GPRESSAVG: 3764000 1.2019 6.56545 28.3521 3.68398 14.7904 20.0924 27.8655 19.2862 3.92646 TIMING: 3764000 CPU: 11277.4, 0.00306824/step Wall: 11277.4, 0.00306824/step, 1.05343 hours remaining, 207.308594 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: 3764000 722.0925 2101.1129 1973.4033 116.8665 -206969.5603 18286.9840 0.0000 0.0000 34228.4504 -149540.6508 298.9256 -183769.1012 -149451.3239 298.7085 165.7031 197.7399 556329.9045 6.5887 6.6396 PRESSURE: 3764200 -101.404 -84.9657 15.1298 -84.9656 -95.8804 -160.009 15.131 -160.009 95.5129 GPRESSURE: 3764200 -54.8206 -103.082 -2.25938 -124.932 -88.6069 -56.033 21.0028 -140.985 142.823 PRESSAVG: 3764200 -13.1663 16.7195 10.702 16.7196 -43.2672 -10.9993 10.7019 -10.9993 7.41797 GPRESSAVG: 3764200 -12.2951 15.4965 9.52829 15.0855 -44.1883 -8.3641 11.1753 -10.8798 7.66279 TIMING: 3764200 CPU: 11278, 0.00305655/step Wall: 11278, 0.00305655/step, 1.04924 hours remaining, 207.308594 MB of memory in use. ENERGY: 3764200 749.6484 2108.1940 1947.7635 121.2971 -206253.1925 17707.2269 0.0000 0.0000 34041.6712 -149577.3915 297.2944 -183619.0627 -149479.6888 298.3570 -33.9237 -0.2014 556718.8017 -16.3385 -16.2735 LDB: ============= START OF LOAD BALANCING ============== 11281.4 LDB: ============== END OF LOAD BALANCING =============== 11281.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11281.4 LDB: ============= START OF LOAD BALANCING ============== 11281.7 LDB: Largest compute 4820 load 0.022938 is 19.4% of average load 0.118184 LDB: Average compute 0.001708 is 1.4% of average load 0.118184 LDB: TIME 11281.7 LOAD: AVG 0.118184 MAX 0.224393 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.805 MB LDB: TIME 11281.7 LOAD: AVG 0.118184 MAX 0.224393 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.832 MB LDB: TIME 11281.7 LOAD: AVG 0.118184 MAX 0.224393 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11281.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11281.7 PRESSURE: 3764400 -156.791 -26.3662 -54.5433 -26.3662 -83.5241 -40.5498 -54.5422 -40.551 124.982 GPRESSURE: 3764400 -135.934 0.448538 -27.8493 -35.0145 -30.4983 -65.5716 -3.21391 -10.0432 144.955 PRESSAVG: 3764400 -69.2292 22.6794 18.9935 22.6793 42.8721 -27.9309 18.9935 -27.9308 38.8593 GPRESSAVG: 3764400 -68.4859 24.1277 18.445 21.3207 43.059 -29.968 19.6342 -28.0944 38.0615 TIMING: 3764400 CPU: 11278.6, 0.00314149/step Wall: 11278.6, 0.00314149/step, 1.07823 hours remaining, 206.187500 MB of memory in use. ENERGY: 3764400 751.1367 2153.8376 1931.3626 105.1548 -206211.7656 17648.3708 0.0000 0.0000 34162.1592 -149459.7439 298.3466 -183621.9032 -149356.8205 299.0441 -38.4444 -7.1593 556948.0260 4.1674 4.2115 PRESSURE: 3764600 -226.665 87.5636 99.6936 87.563 271.493 -34.246 99.6941 -34.2461 170.621 GPRESSURE: 3764600 -198.286 73.7149 129.225 5.73196 271.546 -21.9595 130.6 24.164 229.073 PRESSAVG: 3764600 -31.1626 33.3192 -33.9302 33.3193 18.6068 -31.5871 -33.9303 -31.5872 17.2691 GPRESSAVG: 3764600 -31.776 31.51 -32.2185 34.7994 18.9245 -30.3698 -34.811 -32.0009 17.9982 TIMING: 3764600 CPU: 11279.2, 0.00309173/step Wall: 11279.2, 0.00309173/step, 1.06098 hours remaining, 206.390625 MB of memory in use. ENERGY: 3764600 729.5074 2093.9218 1924.5736 109.0379 -206686.6033 18027.1036 0.0000 0.0000 34413.1206 -149389.3383 300.5383 -183802.4589 -149294.0693 298.7555 71.8161 100.7778 556621.5151 1.5711 1.7156 PRESSURE: 3764800 -148.752 48.5958 -57.8133 48.5953 275.807 -53.7586 -57.8125 -53.7585 -9.31385 GPRESSURE: 3764800 -65.6513 -42.3109 -63.9237 88.1114 239.959 -54.0101 -56.2564 -1.72084 34.5805 PRESSAVG: 3764800 15.4413 -25.5041 -53.0631 -25.5043 48.6901 -64.9079 -53.0629 -64.9079 -25.8323 GPRESSAVG: 3764800 13.4252 -21.575 -55.081 -27.7139 51.108 -63.0424 -52.7757 -65.1951 -26.2475 TIMING: 3764800 CPU: 11279.8, 0.00307749/step Wall: 11279.8, 0.00307749/step, 1.05592 hours remaining, 206.390625 MB of memory in use. ENERGY: 3764800 753.5060 2139.1836 1941.5461 110.6027 -206233.5910 17773.8757 0.0000 0.0000 34380.7663 -149134.1107 300.2558 -183514.8770 -149028.3963 299.3617 39.2471 69.6293 557089.8440 12.7664 12.7619 PRESSURE: 3765000 -26.6724 -62.5211 44.6149 -62.5218 -145.837 -197.575 44.6152 -197.577 40.0971 GPRESSURE: 3765000 15.4229 -36.9893 38.006 -68.011 -203.941 -210.923 4.19824 -160.311 133.526 PRESSAVG: 3765000 -47.03 36.0849 -22.5036 36.0847 -12.6794 -38.0276 -22.5037 -38.0275 16.4034 GPRESSAVG: 3765000 -44.3959 30.4238 -21.438 40.8181 -15.5517 -38.5753 -22.2498 -36.9406 16.4436 TIMING: 3765000 CPU: 11280.4, 0.0030456/step Wall: 11280.4, 0.0030456/step, 1.04481 hours remaining, 206.390625 MB of memory in use. ENERGY: 3765000 748.7802 2067.3748 1953.5958 100.4401 -206389.1724 17923.8017 0.0000 0.0000 34430.0494 -149165.1303 300.6862 -183595.1797 -149070.2111 298.8976 -44.1375 -18.3306 558252.3324 -14.4354 -14.5013 PRESSURE: 3765200 280.649 45.9794 42.658 45.9787 16.0501 -67.8831 42.6578 -67.8841 133.388 GPRESSURE: 3765200 304.397 38.425 105.636 87.2314 74.4023 -125.008 44.938 -62.5484 146.689 PRESSAVG: 3765200 11.9927 -58.9143 -67.5984 -58.9143 -84.5481 -89.986 -67.5985 -89.9859 87.6531 GPRESSAVG: 3765200 11.1531 -53.8059 -67.9175 -62.2608 -84.4752 -91.0836 -67.4995 -89.0296 88.268 TIMING: 3765200 CPU: 11281, 0.00306747/step Wall: 11281, 0.00306747/step, 1.05214 hours remaining, 206.390625 MB of memory in use. ENERGY: 3765200 743.2031 2093.7523 1974.3716 111.6885 -206379.6555 18093.1249 0.0000 0.0000 34163.0606 -149200.4544 298.3545 -183363.5150 -149107.0690 298.9378 143.3623 175.1630 558239.4342 5.0326 4.9820 PRESSURE: 3765400 -18.6196 49.8843 6.67625 49.884 122.581 4.43661 6.67691 4.43642 -67.2122 GPRESSURE: 3765400 27.7667 1.74966 -75.1238 74.249 114.637 40.7006 56.0129 11.1161 -4.61618 PRESSAVG: 3765400 -24.248 -17.532 -29.3772 -17.5321 -14.3119 -33.1332 -29.3772 -33.1332 35.3095 GPRESSAVG: 3765400 -25.1951 -19.0071 -27.4788 -16.4918 -13.0799 -30.987 -27.848 -32.4362 35.4823 TIMING: 3765400 CPU: 11281.7, 0.00307313/step Wall: 11281.7, 0.00307313/step, 1.05391 hours remaining, 206.390625 MB of memory in use. ENERGY: 3765400 728.4227 2104.1536 1948.5300 122.7987 -206310.8221 17926.0394 0.0000 0.0000 34231.6163 -149249.2612 298.9532 -183480.8775 -149156.0121 300.1776 12.2497 45.9290 557998.9500 -1.0835 -0.9309 PRESSURE: 3765600 74.6927 -6.76844 127.816 -6.76867 93.3575 -101.186 127.816 -101.187 33.724 GPRESSURE: 3765600 80.9407 -46.4938 34.8876 12.6499 92.6435 19.154 175.025 -135.921 135.863 PRESSAVG: 3765600 -73.1941 -21.2765 26.8727 -21.2765 0.0665111 -42.0734 26.8728 -42.0734 2.60386 GPRESSAVG: 3765600 -72.3431 -21.6165 26.3844 -21.91 -0.784658 -43.4326 25.5535 -44.3549 2.66137 TIMING: 3765600 CPU: 11282.3, 0.00304971/step Wall: 11282.3, 0.00304971/step, 1.04571 hours remaining, 206.390625 MB of memory in use. ENERGY: 3765600 717.4998 2111.2083 1955.7129 116.5711 -206228.2953 18096.6494 0.0000 0.0000 34061.9530 -149168.7007 297.4715 -183230.6537 -149070.1223 298.8201 67.2581 103.1489 558853.0349 -23.5079 -23.4888 PRESSURE: 3765800 -19.3334 -29.8008 120.81 -29.7996 123.414 8.82728 120.809 8.82665 -117.305 GPRESSURE: 3765800 61.0023 6.08922 69.1686 -64.1906 144.514 42.6244 116.098 -45.7974 -124.109 PRESSAVG: 3765800 -37.7855 -30.6435 -34.5133 -30.6436 50.7787 -67.0042 -34.5134 -67.0041 13.7558 GPRESSAVG: 3765800 -37.5272 -29.7527 -35.3912 -30.6431 50.5925 -69.818 -33.1577 -64.784 13.893 TIMING: 3765800 CPU: 11282.9, 0.00302644/step Wall: 11282.9, 0.00302644/step, 1.03756 hours remaining, 206.390625 MB of memory in use. ENERGY: 3765800 769.1072 2102.2147 1925.5742 124.8986 -206237.7993 17898.1195 0.0000 0.0000 34241.3143 -149176.5708 299.0379 -183417.8852 -149082.9194 299.2251 -4.4080 27.1358 557430.0999 8.9163 8.9861 PRESSURE: 3766000 37.3254 142.728 37.0814 142.727 90.9082 67.8087 37.0816 67.8075 62.9777 GPRESSURE: 3766000 103.79 157.088 35.9886 144.796 71.3764 -45.8046 69.6666 112.746 110.923 PRESSAVG: 3766000 -26.1008 11.8275 -11.357 11.8276 4.90608 -26.0852 -11.357 -26.0851 9.06196 GPRESSAVG: 3766000 -25.6868 11.3369 -11.8176 11.8277 5.57528 -24.5838 -13.1581 -27.6049 7.93515 TIMING: 3766000 CPU: 11283.5, 0.00303993/step Wall: 11283.5, 0.00303993/step, 1.04202 hours remaining, 206.390625 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: 3766000 755.1746 2055.2180 1944.4300 110.0250 -206301.6529 17989.3786 0.0000 0.0000 34249.7973 -149197.6294 299.1120 -183447.4267 -149097.3293 299.5693 63.7371 95.3628 557135.8666 -4.0443 -4.0588 PRESSURE: 3766200 -63.7027 -6.95157 -149.157 -6.95205 74.7274 -73.8527 -149.156 -73.8514 -27.6432 GPRESSURE: 3766200 -22.3077 -61.868 -237.479 -61.1097 67.6519 -151.153 -121.656 -15.4437 44.73 PRESSAVG: 3766200 4.43127 30.2857 24.0356 30.2859 14.8558 -22.5384 24.0357 -22.5385 -29.2329 GPRESSAVG: 3766200 4.37792 30.31 24.3186 30.3464 14.0545 -20.6059 25.6017 -21.3826 -28.1896 TIMING: 3766200 CPU: 11284.1, 0.00303486/step Wall: 11284.1, 0.00303486/step, 1.04011 hours remaining, 206.390625 MB of memory in use. ENERGY: 3766200 785.3135 2112.6350 1957.1263 123.0743 -206075.2633 17687.9139 0.0000 0.0000 34304.5337 -149104.6666 299.5900 -183409.2002 -149013.8236 299.6028 -5.5395 30.0247 556513.9842 -3.3153 -3.2524 PRESSURE: 3766400 -33.6226 -41.9509 136.618 -41.9513 -262.028 -111.788 136.619 -111.787 139.341 GPRESSURE: 3766400 25.636 108.871 186.533 -146.281 -199.864 -82.6669 76.6553 -140.671 117.372 PRESSAVG: 3766400 -39.6635 -19.9909 -0.815062 -19.9908 -2.94022 -4.75273 -0.815103 -4.7529 39.1673 GPRESSAVG: 3766400 -39.6791 -18.6307 -1.00907 -18.4006 -2.90212 -7.82835 -1.97294 -3.1268 39.2556 TIMING: 3766400 CPU: 11284.7, 0.00303154/step Wall: 11284.7, 0.00303154/step, 1.03881 hours remaining, 206.390625 MB of memory in use. ENERGY: 3766400 742.0287 2127.3173 1951.2673 113.1273 -206149.4207 17808.6074 0.0000 0.0000 34205.7104 -149201.3624 298.7270 -183407.0727 -149112.0824 299.9176 -52.1032 -18.9521 556562.6404 -1.1455 -1.1085 PRESSURE: 3766600 37.4959 -55.2381 54.2629 -55.238 -18.7426 3.64024 54.2636 3.64054 271.524 GPRESSURE: 3766600 28.8717 -110.461 65.9724 -25.3589 53.9124 39.5868 122.709 76.6338 310.342 PRESSAVG: 3766600 -32.2453 -17.0965 -2.47394 -17.0966 16.4798 4.54415 -2.474 4.54406 5.64268 GPRESSAVG: 3766600 -31.7883 -19.3762 -1.3019 -18.2403 16.57 7.16022 -0.187006 1.07115 5.89899 TIMING: 3766600 CPU: 11285.3, 0.00303921/step Wall: 11285.3, 0.00303921/step, 1.04127 hours remaining, 206.390625 MB of memory in use. ENERGY: 3766600 743.6707 2094.1827 1956.2318 117.6663 -206126.2256 17802.0516 0.0000 0.0000 34174.5028 -149237.9199 298.4544 -183412.4226 -149147.4813 299.7215 96.7592 131.0420 555623.6737 -3.3743 -3.1064 PRESSURE: 3766800 -194.997 116.81 38.1307 116.809 -105.145 -86.3218 38.1308 -86.3227 109.698 GPRESSURE: 3766800 -212.554 85.1027 -27.9904 67.9556 -86.5643 -64.1806 128.342 -99.1551 215.16 PRESSAVG: 3766800 65.601 -52.9116 33.6012 -52.9115 -72.1274 -45.6375 33.6013 -45.6374 5.29032 GPRESSAVG: 3766800 65.6397 -52.3373 31.2748 -53.9771 -72.17 -45.7488 33.2239 -44.9109 5.34374 TIMING: 3766800 CPU: 11285.9, 0.00305248/step Wall: 11285.9, 0.00305248/step, 1.04564 hours remaining, 206.390625 MB of memory in use. ENERGY: 3766800 755.0061 2103.7773 1928.8617 107.5358 -206198.9718 17685.2580 0.0000 0.0000 34314.7363 -149303.7965 299.6791 -183618.5328 -149204.8789 299.3742 -63.4813 -27.9860 556555.7299 -0.4120 -0.3955 PRESSURE: 3767000 -222.061 -110.105 63.214 -110.105 -98.8592 -87.1875 63.2137 -87.1877 -174.198 GPRESSURE: 3767000 -245.619 -146.388 73.3238 -92.2132 -59.1839 -8.43824 25.9804 -116.304 -114.942 PRESSAVG: 3767000 -6.78701 -18.873 37.2806 -18.873 -22.3443 -23.2091 37.2807 -23.2091 51.4427 GPRESSAVG: 3767000 -6.00975 -18.9051 38.5346 -17.1114 -22.9514 -22.108 36.0958 -22.7785 50.8695 TIMING: 3767000 CPU: 11286.5, 0.00306889/step Wall: 11286.5, 0.00306889/step, 1.05109 hours remaining, 206.390625 MB of memory in use. ENERGY: 3767000 791.9593 2144.1330 1953.8096 111.3921 -205863.8653 17545.3892 0.0000 0.0000 34131.3105 -149185.8717 298.0772 -183317.1822 -149088.8042 299.3785 -165.0395 -139.9148 558392.8582 7.4371 7.3028 PRESSURE: 3767200 68.0028 -18.0464 -10.4731 -18.0459 -206.412 72.8441 -10.4728 72.844 -259.047 GPRESSURE: 3767200 86.9577 -81.418 -76.6611 88.2321 -140.119 27.9076 50.8745 54.958 -252.669 PRESSAVG: 3767200 20.1341 -53.7311 -11.4963 -53.7311 -30.7216 -47.6396 -11.4963 -47.6396 -14.451 GPRESSAVG: 3767200 19.8196 -54.7513 -10.4942 -53.6061 -30.8714 -48.4056 -11.9758 -48.1005 -13.2224 TIMING: 3767200 CPU: 11287.1, 0.00304181/step Wall: 11287.1, 0.00304181/step, 1.04165 hours remaining, 206.390625 MB of memory in use. ENERGY: 3767200 774.1956 2139.5659 1941.0697 97.2387 -206287.2793 17714.1417 0.0000 0.0000 34298.1726 -149322.8951 299.5345 -183621.0677 -149219.2219 299.0171 -132.4857 -101.9434 557017.3106 -8.3462 -8.0914 PRESSURE: 3767400 -60.8988 -28.5006 -123.857 -28.5016 -21.5661 -29.0622 -123.857 -29.0614 -109.14 GPRESSURE: 3767400 -72.2993 0.293386 -111.589 -60.6654 14.9662 87.2586 -161.343 -113.755 -49.3779 PRESSAVG: 3767400 45.2847 4.19508 -22.3018 4.19514 15.2362 32.1769 -22.3018 32.1771 -59.9023 GPRESSAVG: 3767400 44.4198 5.42072 -24.3082 2.85887 16.2562 34.8855 -19.8995 31.178 -60.5482 TIMING: 3767400 CPU: 11287.7, 0.00301832/step Wall: 11287.7, 0.00301832/step, 1.03344 hours remaining, 206.390625 MB of memory in use. ENERGY: 3767400 782.2767 2107.6723 1956.2643 106.7571 -206349.7199 17777.1493 0.0000 0.0000 34335.8204 -149283.7799 299.8633 -183619.6003 -149182.3991 299.3255 -63.8684 -35.5703 557023.9647 0.2062 0.0426 PRESSURE: 3767600 169.539 18.1135 16.0884 18.1131 19.0648 -26.5254 16.0877 -26.5248 56.0777 GPRESSURE: 3767600 227.997 37.5858 4.12379 25.761 22.7545 -53.666 -28.4058 10.9581 81.5935 PRESSAVG: 3767600 -4.75677 7.19895 12.488 7.19894 44.1734 -27.0827 12.488 -27.0827 20.0515 GPRESSAVG: 3767600 -4.10868 6.23138 14.4908 7.27522 42.9849 -29.9054 8.56999 -26.6778 20.5642 TIMING: 3767600 CPU: 11288.3, 0.00301096/step Wall: 11288.3, 0.00301096/step, 1.03075 hours remaining, 206.390625 MB of memory in use. ENERGY: 3767600 740.5099 2137.4081 1924.8414 113.1257 -206329.2669 17853.1887 0.0000 0.0000 34131.8376 -149428.3554 298.0818 -183560.1930 -149325.5513 298.4737 81.5605 110.7815 556017.4178 19.8227 19.8135 PRESSURE: 3767800 164.138 8.96731 9.10629 8.96605 -3.34854 68.2562 9.10645 68.2565 -267.431 GPRESSURE: 3767800 252.473 -1.07981 50.5817 -44.6215 17.7927 59.2364 -57.5614 83.3656 -282.173 PRESSAVG: 3767800 47.0723 48.6739 -7.3266 48.674 -69.546 52.2619 -7.3267 52.2619 28.5501 GPRESSAVG: 3767800 46.966 48.4222 -8.63841 50.3436 -68.3032 52.8933 -5.49915 52.426 27.8195 TIMING: 3767800 CPU: 11289, 0.00302871/step Wall: 11289, 0.00302871/step, 1.03666 hours remaining, 206.390625 MB of memory in use. ENERGY: 3767800 726.3721 2123.1260 1947.6312 106.1164 -206205.2930 17666.0120 0.0000 0.0000 34167.3075 -149468.7277 298.3916 -183636.0352 -149379.1248 298.4789 -35.5472 -3.9689 556879.9618 2.0255 2.1608 PRESSURE: 3768000 -127.419 88.0051 54.0447 88.005 169.417 56.9949 54.0442 56.9961 205.02 GPRESSURE: 3768000 -98.1044 96.4546 93.8784 70.5599 172.242 37.8264 48.7192 159.612 278.763 PRESSAVG: 3768000 -10.2276 18.4978 -48.7417 18.4979 -57.0046 19.2336 -48.7418 19.2336 15.34 GPRESSAVG: 3768000 -9.26327 19.6193 -47.5173 18.198 -56.5442 18.1055 -46.9706 20.9015 14.0391 TIMING: 3768000 CPU: 11289.6, 0.00302673/step Wall: 11289.6, 0.00302673/step, 1.03582 hours remaining, 206.390625 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: 3768000 747.2898 2128.2566 1947.4966 113.6500 -206547.8456 17912.4710 0.0000 0.0000 34070.7875 -149627.8940 297.5487 -183698.6815 -149530.0334 297.7353 82.3396 117.6334 555424.6546 -17.2974 -17.2561 PRESSURE: 3768200 -92.2079 -92.551 -49.7221 -92.5515 -139.242 34.5688 -49.7221 34.5686 164.855 GPRESSURE: 3768200 -16.9826 -25.4243 -146.184 -117.126 -109.93 69.2231 -46.2452 68.5637 153.815 PRESSAVG: 3768200 -59.2506 -7.8766 -79.1453 -7.87653 11.9421 -37.5771 -79.1453 -37.577 23.9709 GPRESSAVG: 3768200 -60.5936 -8.11557 -82.0039 -10.1649 12.2147 -36.122 -78.9925 -40.3197 25.1227 TIMING: 3768200 CPU: 11290.2, 0.00307062/step Wall: 11290.2, 0.00307062/step, 1.05066 hours remaining, 206.390625 MB of memory in use. ENERGY: 3768200 799.5451 2138.0993 1955.7691 116.8537 -206591.6236 17790.3801 0.0000 0.0000 34077.9610 -149713.0153 297.6113 -183790.9762 -149609.8822 297.9140 -22.1986 8.9675 556677.8578 -7.7792 -7.7521 LDB: ============= START OF LOAD BALANCING ============== 11293.6 LDB: ============== END OF LOAD BALANCING =============== 11293.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11293.6 LDB: ============= START OF LOAD BALANCING ============== 11293.9 LDB: Largest compute 4820 load 0.023037 is 19.5% of average load 0.118160 LDB: Average compute 0.001711 is 1.4% of average load 0.118160 LDB: TIME 11293.9 LOAD: AVG 0.11816 MAX 0.223428 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.867 MB LDB: TIME 11293.9 LOAD: AVG 0.11816 MAX 0.223428 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: TIME 11293.9 LOAD: AVG 0.11816 MAX 0.223428 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.867 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11293.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11293.9 PRESSURE: 3768400 -290.256 -33.3371 -3.86623 -33.337 -413.342 -43.4517 -3.86608 -43.452 -111.943 GPRESSURE: 3768400 -263.042 15.3253 -23.4375 -72.4558 -409.222 -63.4417 70.8975 33.4602 -48.1274 PRESSAVG: 3768400 18.928 -62.8994 -22.8025 -62.8994 -15.9598 3.63264 -22.8026 3.63259 50.4797 GPRESSAVG: 3768400 20.0089 -62.4096 -19.8531 -60.365 -16.807 2.86682 -25.4358 4.50824 49.6216 TIMING: 3768400 CPU: 11290.8, 0.00312361/step Wall: 11290.8, 0.00312361/step, 1.06862 hours remaining, 204.898438 MB of memory in use. ENERGY: 3768400 767.9830 2086.4631 1959.8976 115.4658 -206058.4711 17462.8245 0.0000 0.0000 34081.9232 -149583.9140 297.6459 -183665.8371 -149486.6058 298.4361 -271.8470 -240.1305 557792.1281 17.8160 17.6078 PRESSURE: 3768600 42.9353 -153.268 28.1772 -153.27 101.888 43.936 28.1778 43.9344 -199.796 GPRESSURE: 3768600 61.3683 -184.599 49.1187 -143.588 104.242 -29.3371 -30.9825 60.1722 -111.072 PRESSAVG: 3768600 -6.11711 -25.4063 -10.1458 -25.4063 -15.1364 -21.2921 -10.1458 -21.292 6.83805 GPRESSAVG: 3768600 -6.49292 -27.2056 -13.6008 -24.8259 -15.0245 -19.9053 -7.16073 -20.1727 7.00813 TIMING: 3768600 CPU: 11291.4, 0.00305632/step Wall: 11291.4, 0.00305632/step, 1.04543 hours remaining, 204.898438 MB of memory in use. ENERGY: 3768600 735.3862 2118.5079 1911.5728 105.4314 -206354.9033 17817.2967 0.0000 0.0000 33979.5159 -149687.1925 296.7516 -183666.7084 -149587.2613 297.9981 -18.3243 18.1793 556721.7065 -4.8052 -4.8364 PRESSURE: 3768800 -226.3 59.1231 25.4493 59.1222 -250.795 -183.911 25.4491 -183.911 -125.11 GPRESSURE: 3768800 -250.332 145.117 -29.5504 0.775679 -142.644 -242.308 38.5801 -151.659 -96.2711 PRESSAVG: 3768800 37.742 -11.4013 -5.50929 -11.4012 24.0488 0.518625 -5.50929 0.518511 -17.9186 GPRESSAVG: 3768800 36.9837 -10.3091 -4.61666 -12.1914 23.1138 -0.272433 -6.76803 0.937215 -16.4994 TIMING: 3768800 CPU: 11292, 0.00308622/step Wall: 11292, 0.00308622/step, 1.05549 hours remaining, 204.898438 MB of memory in use. ENERGY: 3768800 777.5188 2094.4788 1940.2817 105.1394 -206240.2264 17683.3901 0.0000 0.0000 33986.8119 -149652.6058 296.8153 -183639.4177 -149556.2394 297.2330 -200.7351 -163.0825 558271.7469 14.6241 14.5327 PRESSURE: 3769000 236.464 6.88357 11.4629 6.88295 242.288 -169.014 11.463 -169.012 47.7283 GPRESSURE: 3769000 225.936 85.1652 -24.2748 24.1265 326.118 -144.013 85.4494 -134.74 67.2815 PRESSAVG: 3769000 2.26011 7.9646 -6.64565 7.96456 33.4851 18.0626 -6.64557 18.0625 -28.4901 GPRESSAVG: 3769000 2.55801 5.9399 -5.35472 8.76742 34.0736 17.0751 -6.46364 18.0749 -29.2469 TIMING: 3769000 CPU: 11292.6, 0.00308086/step Wall: 11292.6, 0.00308086/step, 1.05348 hours remaining, 204.898438 MB of memory in use. ENERGY: 3769000 722.9345 2150.2621 1920.3712 111.5079 -206976.7795 18115.1867 0.0000 0.0000 34232.0058 -149724.5113 298.9566 -183956.5172 -149632.7351 297.7281 175.4933 206.4450 555121.1301 2.4184 2.4616 PRESSURE: 3769200 56.4557 -71.68 122.298 -71.682 -123.601 -108.467 122.295 -108.466 -90.3153 GPRESSURE: 3769200 130.01 -79.8032 93.4048 -53.1063 -82.1687 -142.33 83.3808 -174.769 -110.461 PRESSAVG: 3769200 22.5777 -2.91651 -27.659 -2.91646 -27.3341 -27.5673 -27.6591 -27.5673 -0.162687 GPRESSAVG: 3769200 23.9749 -0.670721 -29.0617 -4.50929 -27.2215 -27.6931 -26.0145 -28.5094 -1.92402 TIMING: 3769200 CPU: 11293.3, 0.00307296/step Wall: 11293.3, 0.00307296/step, 1.05061 hours remaining, 204.898438 MB of memory in use. ENERGY: 3769200 753.3663 2068.9728 1954.2039 128.1002 -206651.1672 17799.0839 0.0000 0.0000 34252.7296 -149694.7105 299.1376 -183947.4401 -149589.7939 297.8112 -52.4870 -20.8734 556466.0136 -1.6397 -1.7235 PRESSURE: 3769400 -27.3972 1.73886 -35.0572 1.73928 -177.137 73.0577 -35.057 73.058 -205.828 GPRESSURE: 3769400 -5.91909 107.264 63.3318 -80.9184 -138.844 76.4121 -86.6613 110.274 -167.727 PRESSAVG: 3769400 49.265 -12.7526 60.6664 -12.7526 -8.79632 -25.6978 60.6664 -25.698 -24.247 GPRESSAVG: 3769400 47.7706 -13.7368 60.3088 -13.2941 -8.55358 -24.392 59.5118 -27.0726 -23.2216 TIMING: 3769400 CPU: 11293.9, 0.00304903/step Wall: 11293.9, 0.00304903/step, 1.04226 hours remaining, 204.898438 MB of memory in use. ENERGY: 3769400 730.2705 2126.6334 1939.4476 113.9879 -206141.9691 17600.1495 0.0000 0.0000 34050.5681 -149580.9122 297.3721 -183631.4803 -149484.3192 298.3014 -136.7874 -104.1634 558548.1052 5.4072 5.3318 PRESSURE: 3769600 28.672 -48.9622 -173.713 -48.9607 76.4661 -0.552711 -173.713 -0.55261 348.15 GPRESSURE: 3769600 -0.771562 2.16709 -133.99 -79.0227 107.981 43.8533 -157.919 31.2072 451.446 PRESSAVG: 3769600 37.336 13.9877 46.8333 13.9876 -46.522 -22.6527 46.8332 -22.6527 18.5069 GPRESSAVG: 3769600 37.3889 14.0612 49.2343 15.0409 -45.8455 -21.6873 46.4201 -21.9011 17.5898 TIMING: 3769600 CPU: 11294.5, 0.00300843/step Wall: 11294.5, 0.00300843/step, 1.02821 hours remaining, 204.898438 MB of memory in use. ENERGY: 3769600 751.3822 2113.3879 1926.8109 119.5828 -206497.6219 17985.3738 0.0000 0.0000 33991.8406 -149609.2436 296.8592 -183601.0842 -149512.9697 298.5778 151.0961 186.2185 555909.9991 3.1070 3.0444 PRESSURE: 3769800 -5.28694 5.48384 -25.0589 5.48307 226.326 -138.421 -25.0609 -138.421 -109.718 GPRESSURE: 3769800 34.7113 -6.86679 -6.12107 -14.1061 255.963 -211.116 43.1505 -121.247 -94.7679 PRESSAVG: 3769800 16.96 13.3414 -23.6642 13.3414 -52.0777 -63.1523 -23.6642 -63.1522 30.5581 GPRESSAVG: 3769800 16.0783 14.3643 -24.2576 12.6996 -53.8877 -63.4758 -22.4607 -63.1673 33.3902 TIMING: 3769800 CPU: 11295.1, 0.0030266/step Wall: 11295.1, 0.0030266/step, 1.03426 hours remaining, 204.898438 MB of memory in use. ENERGY: 3769800 763.3828 2108.6452 1948.9272 96.7932 -206567.7132 18088.8116 0.0000 0.0000 34067.0070 -149494.1462 297.5156 -183561.1532 -149405.2702 298.6858 37.1069 65.3020 557197.9557 -1.5198 -1.4731 PRESSURE: 3770000 -239.42 59.3218 37.0484 59.3208 -40.8843 -168.503 37.05 -168.503 -195.191 GPRESSURE: 3770000 -202.43 -13.552 -20.4198 159.796 12.0923 -221.429 83.8255 -173.646 -189.424 PRESSAVG: 3770000 -14.1839 37.731 -15.2317 37.7311 -40.7499 22.0018 -15.2317 22.0019 53.8265 GPRESSAVG: 3770000 -13.9504 37.0388 -16.9984 37.6708 -40.6632 20.9938 -16.3756 23.1329 52.765 TIMING: 3770000 CPU: 11295.7, 0.0030189/step Wall: 11295.7, 0.0030189/step, 1.03146 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: 3770000 743.9193 2081.6060 1964.1758 110.7022 -206050.4109 17724.5947 0.0000 0.0000 33775.4813 -149649.9318 294.9697 -183425.4130 -149556.3304 298.1810 -158.4985 -126.5875 558903.1251 -0.3691 -0.6162 PRESSURE: 3770200 110.975 -49.3194 47.4387 -49.3194 -15.234 -65.3559 47.439 -65.3567 -292.156 GPRESSURE: 3770200 93.1703 -51.7012 61.6502 -104.197 54.6521 -102.607 86.2766 -26.24 -256.42 PRESSAVG: 3770200 -21.9271 18.4487 31.6448 18.4488 33.0933 -11.1193 31.6447 -11.1192 -37.9242 GPRESSAVG: 3770200 -22.1008 19.2276 32.851 17.0652 34.7651 -11.7169 32.3195 -11.9991 -39.8606 TIMING: 3770200 CPU: 11296.3, 0.00301555/step Wall: 11296.3, 0.00301555/step, 1.03015 hours remaining, 204.898438 MB of memory in use. ENERGY: 3770200 756.1891 2083.4247 1968.4249 105.2797 -206247.1010 17823.1253 0.0000 0.0000 33874.1375 -149636.5198 295.8313 -183510.6574 -149543.7801 297.7763 -65.4716 -36.1993 559033.8373 -8.9193 -9.0654 PRESSURE: 3770400 12.6289 -81.674 122.705 -81.6741 -240.728 -44.9588 122.706 -44.9609 -93.3631 GPRESSURE: 3770400 -31.9285 43.1575 114.527 -97.5701 -211.985 -73.241 77.8309 -84.9577 17.5693 PRESSAVG: 3770400 -64.6308 -15.704 55.9134 -15.704 0.390689 5.44131 55.9133 5.44116 79.5537 GPRESSAVG: 3770400 -63.572 -15.8253 56.2862 -15.9689 -0.746149 6.14433 54.9047 6.90554 80.1421 TIMING: 3770400 CPU: 11296.9, 0.00304732/step Wall: 11296.9, 0.00304732/step, 1.04083 hours remaining, 204.898438 MB of memory in use. ENERGY: 3770400 736.9717 2038.1678 1954.0934 112.3162 -206493.3696 17758.0740 0.0000 0.0000 34038.0197 -149855.7267 297.2625 -183893.7464 -149753.9842 297.9641 -107.1539 -75.4483 557552.3849 5.1045 5.2747 PRESSURE: 3770600 112.034 -56.528 -47.4858 -56.528 161.666 -166.087 -47.4868 -166.086 -16.7533 GPRESSURE: 3770600 116.554 -41.0433 -0.508608 -74.1644 210.373 -191.285 -13.6469 -62.2077 18.1315 PRESSAVG: 3770600 -63.2496 -18.8981 45.1819 -18.898 -8.16961 54.928 45.1819 54.9281 97.9238 GPRESSAVG: 3770600 -62.8852 -21.5682 43.7663 -16.3918 -8.42096 53.7112 47.809 55.5314 97.7863 TIMING: 3770600 CPU: 11297.5, 0.00305547/step Wall: 11297.5, 0.00305547/step, 1.04344 hours remaining, 204.898438 MB of memory in use. ENERGY: 3770600 708.5938 2032.8899 1952.5381 115.1810 -206714.7829 17958.0558 0.0000 0.0000 34036.5845 -149910.9398 297.2500 -183947.5243 -149816.8215 297.5664 85.6488 115.0196 555614.7878 8.8349 8.8267 PRESSURE: 3770800 9.19022 106.768 29.5796 106.768 266.986 173.794 29.5792 173.794 -14.9914 GPRESSURE: 3770800 44.2135 123.228 72.511 45.3614 262.547 128.558 58.5943 200.535 46.8473 PRESSAVG: 3770800 -8.61271 11.1177 10.0592 11.1177 20.5237 12.1148 10.0592 12.1148 -16.5627 GPRESSAVG: 3770800 -10.0202 13.0857 9.89064 10.5359 20.7518 13.8564 9.41363 11.2669 -16.0063 TIMING: 3770800 CPU: 11298.1, 0.00305315/step Wall: 11298.1, 0.00305315/step, 1.04248 hours remaining, 204.898438 MB of memory in use. ENERGY: 3770800 760.3196 2035.3246 1944.2458 116.7143 -206491.5790 17952.1080 0.0000 0.0000 33852.7338 -149830.1329 295.6443 -183682.8666 -149733.6463 296.7687 87.0617 117.8692 555524.2568 -1.5506 -1.7582 PRESSURE: 3771000 -160.65 -90.0261 -149.014 -90.0272 154.882 282.516 -149.014 282.515 -246.327 GPRESSURE: 3771000 -44.7427 -119.991 -138.373 -47.1605 123.055 214.759 -90.18 275.111 -235.515 PRESSAVG: 3771000 11.1121 18.7573 -5.89652 18.7573 -17.7637 34.063 -5.89646 34.0631 13.5399 GPRESSAVG: 3771000 11.5038 19.8962 -5.7159 15.9416 -18.4172 32.8328 -6.45345 34.4074 13.7392 TIMING: 3771000 CPU: 11298.7, 0.00303764/step Wall: 11298.7, 0.00303764/step, 1.03702 hours remaining, 204.898438 MB of memory in use. ENERGY: 3771000 761.3601 2042.5478 1952.2016 99.9502 -206629.5618 17925.7585 0.0000 0.0000 33986.1432 -149861.6003 296.8094 -183847.7436 -149763.0760 296.7881 -84.0317 -52.4009 557570.2584 2.2961 2.2753 PRESSURE: 3771200 15.1487 -124.801 208.87 -124.8 -305.035 121.093 208.869 121.092 27.1303 GPRESSURE: 3771200 35.4298 -124.19 250.491 -111.359 -276.485 135.652 168.727 131.579 70.5073 PRESSAVG: 3771200 59.5047 27.7556 6.11716 27.7557 -110.159 29.1057 6.11711 29.1056 13.8903 GPRESSAVG: 3771200 58.8479 27.0201 6.80255 30.6487 -109.028 30.9302 5.51023 28.306 13.536 TIMING: 3771200 CPU: 11299.3, 0.00302072/step Wall: 11299.3, 0.00302072/step, 1.03107 hours remaining, 204.898438 MB of memory in use. ENERGY: 3771200 766.2444 2009.7404 1946.0330 99.4503 -206104.0245 17608.4091 0.0000 0.0000 33925.0999 -149749.0474 296.2763 -183674.1473 -149658.1831 296.9798 -87.5852 -56.8493 557852.5465 -12.2548 -12.2148 PRESSURE: 3771400 -143.614 -158.261 31.5965 -158.261 156.157 64.9377 31.5972 64.9366 -21.259 GPRESSURE: 3771400 -125.547 -77.1948 63.4902 -133.884 201.759 22.6062 69.1787 13.358 7.93967 PRESSAVG: 3771400 0.00971351 -6.03245 -9.22606 -6.03255 -15.0722 4.09331 -9.22611 4.09338 34.74 GPRESSAVG: 3771400 1.40822 -7.67502 -8.84203 -4.83302 -17.0382 3.64999 -8.6534 3.77817 34.6787 TIMING: 3771400 CPU: 11299.9, 0.00306255/step Wall: 11299.9, 0.00306255/step, 1.04518 hours remaining, 204.898438 MB of memory in use. ENERGY: 3771400 740.1567 2107.9807 1965.3418 111.2024 -206369.0645 17806.6550 0.0000 0.0000 33943.6901 -149694.0377 296.4387 -183637.7279 -149604.3072 297.2427 -2.9052 28.0507 558286.4319 6.5592 6.3496 PRESSURE: 3771600 -47.5554 116.516 134.938 116.515 -59.0358 17.3075 134.938 17.308 -220.185 GPRESSURE: 3771600 -5.95864 14.1368 127.933 63.7136 -53.8799 44.6282 190.323 7.68423 -168.949 PRESSAVG: 3771600 -9.94394 16.9085 20.4514 16.9086 -32.3424 -61.3723 20.4514 -61.3723 68.4819 GPRESSAVG: 3771600 -10.2724 18.3802 18.5649 14.3491 -32.0697 -61.5649 21.9279 -60.5734 68.0134 TIMING: 3771600 CPU: 11300.5, 0.00303834/step Wall: 11300.5, 0.00303834/step, 1.03675 hours remaining, 204.898438 MB of memory in use. ENERGY: 3771600 735.2332 2123.3066 1972.0862 110.7413 -206453.4757 17731.9253 0.0000 0.0000 33959.0302 -149821.1528 296.5727 -183780.1830 -149723.0464 297.8429 -108.9255 -76.2625 557146.0926 8.7319 8.5571 PRESSURE: 3771800 -113.221 114.409 -172.281 114.408 62.1232 40.4993 -172.281 40.4977 68.1141 GPRESSURE: 3771800 -124.852 120.094 -123.821 11.7392 110.587 -28.92 -204.607 83.9242 141.633 PRESSAVG: 3771800 -17.254 16.8398 1.07345 16.8398 23.0641 -7.34178 1.07347 -7.34181 -17.5449 GPRESSAVG: 3771800 -17.817 16.0247 2.32334 17.7849 23.7634 -6.14545 -1.88448 -8.43715 -18.0528 TIMING: 3771800 CPU: 11301.1, 0.00302158/step Wall: 11301.1, 0.00302158/step, 1.03086 hours remaining, 204.898438 MB of memory in use. ENERGY: 3771800 736.4608 2093.9417 1968.9219 121.5987 -206685.2929 17922.1019 0.0000 0.0000 34022.3743 -149819.8937 297.1259 -183842.2679 -149729.9743 297.0480 5.6720 42.4561 556927.6237 -3.9116 -4.0355 PRESSURE: 3772000 -181.981 -131.616 -14.0492 -131.617 -175.236 -59.7765 -14.0498 -59.7755 54.4552 GPRESSURE: 3772000 -128.5 -132.775 -27.4249 -135.959 -168.218 6.13634 12.5058 -30.7763 94.9528 PRESSAVG: 3772000 -51.7406 -53.4209 -35.4141 -53.4209 -33.1416 11.4815 -35.4141 11.4815 63.6542 GPRESSAVG: 3772000 -51.8959 -53.4736 -36.7626 -51.974 -32.2671 11.0215 -35.7376 11.8557 63.1247 TIMING: 3772000 CPU: 11301.8, 0.0030628/step Wall: 11301.8, 0.0030628/step, 1.04476 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: 3772000 737.8470 2083.6063 1968.0089 124.5005 -206305.8605 17651.5102 0.0000 0.0000 34143.1834 -149597.2041 298.1809 -183740.3875 -149505.9691 297.7758 -100.9208 -67.2552 556962.3826 -7.0760 -7.0128 PRESSURE: 3772200 20.8259 29.2038 18.1422 29.2047 -46.7937 -87.03 18.1414 -87.0316 99.4951 GPRESSURE: 3772200 37.0783 50.7956 97.6831 -22.3138 30.1294 -49.5088 -89.2641 -97.9041 102.754 PRESSAVG: 3772200 -5.91431 -0.829852 -53.4636 -0.829764 -21.939 -33.7835 -53.4636 -33.7835 22.7228 GPRESSAVG: 3772200 -5.77257 3.27466 -51.6291 -4.51823 -22.4544 -33.8918 -51.4949 -34.3987 23.4987 TIMING: 3772200 CPU: 11302.4, 0.00304468/step Wall: 11302.4, 0.00304468/step, 1.0384 hours remaining, 204.898438 MB of memory in use. ENERGY: 3772200 763.9014 2084.9527 1937.7653 115.1263 -206473.4076 17967.8751 0.0000 0.0000 34153.5916 -149450.1952 298.2718 -183603.7868 -149361.9924 298.0802 24.5091 56.6541 556641.0260 -1.7102 -1.5761 LDB: ============= START OF LOAD BALANCING ============== 11305.8 LDB: ============== END OF LOAD BALANCING =============== 11305.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11305.8 LDB: ============= START OF LOAD BALANCING ============== 11306.1 LDB: Largest compute 4820 load 0.022460 is 19.0% of average load 0.118085 LDB: Average compute 0.001709 is 1.4% of average load 0.118085 LDB: TIME 11306.1 LOAD: AVG 0.118085 MAX 0.223526 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.898 MB LDB: TIME 11306.1 LOAD: AVG 0.118085 MAX 0.223526 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.902 MB LDB: TIME 11306.1 LOAD: AVG 0.118085 MAX 0.223526 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11306.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11306.1 PRESSURE: 3772400 67.5771 -184.552 -9.83337 -184.552 15.2076 59.6605 -9.83257 59.6626 -81.0503 GPRESSURE: 3772400 36.7609 -126.6 -11.1366 -201.287 54.4443 26.2164 -24.8755 110.323 -3.16027 PRESSAVG: 3772400 8.1253 -52.1025 18.9363 -52.1025 -22.3035 -18.701 18.9364 -18.7009 28.5656 GPRESSAVG: 3772400 7.5357 -54.9459 18.7917 -50.4329 -22.0507 -16.5111 19.1251 -19.172 28.3481 TIMING: 3772400 CPU: 11303, 0.0031106/step Wall: 11303, 0.0031106/step, 1.06071 hours remaining, 205.031250 MB of memory in use. ENERGY: 3772400 749.5563 2049.3259 1946.8890 105.6347 -205941.5174 17773.8082 0.0000 0.0000 33949.6851 -149366.6182 296.4910 -183316.3033 -149266.4077 297.9281 0.5781 29.3483 557196.5830 4.7958 4.6110 PRESSURE: 3772600 116.765 -7.15978 144.802 -7.15893 31.6333 -11.4519 144.802 -11.451 -57.5074 GPRESSURE: 3772600 67.7266 -10.0888 202.024 51.4969 105.4 -39.3865 123.055 -13.7707 14.4788 PRESSAVG: 3772600 -43.8811 -38.8775 -15.6138 -38.8775 42.6622 41.9685 -15.6138 41.9684 12.7848 GPRESSAVG: 3772600 -43.2611 -37.7306 -15.9504 -39.2793 41.9593 38.9284 -15.6925 44.422 12.8812 TIMING: 3772600 CPU: 11303.6, 0.00308178/step Wall: 11303.6, 0.00308178/step, 1.05071 hours remaining, 205.031250 MB of memory in use. ENERGY: 3772600 682.9293 2091.9257 1934.7004 103.3643 -205948.6136 17743.9815 0.0000 0.0000 34269.7527 -149121.9597 299.2863 -183391.7124 -149020.5263 299.0820 30.2970 62.5350 557727.7584 3.8553 3.8598 PRESSURE: 3772800 28.5747 15.4602 -202.781 15.4602 220.69 9.79239 -202.782 9.7907 110.329 GPRESSURE: 3772800 3.47685 61.094 -123.878 -34.4034 276.048 -103.721 -196.059 30.2519 163.871 PRESSAVG: 3772800 -57.5348 -20.7504 11.2092 -20.7505 66.3784 13.0377 11.2093 13.0376 7.08057 GPRESSAVG: 3772800 -57.5154 -19.8407 11.0219 -20.7472 65.7399 12.1355 11.9244 13.3219 8.53005 TIMING: 3772800 CPU: 11304.2, 0.00304624/step Wall: 11304.2, 0.00304624/step, 1.03843 hours remaining, 205.031250 MB of memory in use. ENERGY: 3772800 708.4067 2107.1314 1936.4626 110.3800 -206244.3465 17838.2045 0.0000 0.0000 34432.1333 -149111.6281 300.7044 -183543.7614 -149009.9499 299.1081 119.8646 147.7986 555546.4717 5.3081 5.5849 PRESSURE: 3773000 -154.926 59.3596 47.1384 59.3611 147.734 180.637 47.1383 180.636 -139.856 GPRESSURE: 3773000 -39.9026 59.0867 -14.9839 103.37 102.505 134.176 17.5101 180.66 -111.66 PRESSAVG: 3773000 -21.9376 30.1657 58.1284 30.1657 69.1007 42.8384 58.1284 42.8383 -7.24015 GPRESSAVG: 3773000 -22.0347 27.4369 59.5467 31.3921 70.0943 44.3664 55.6475 42.8566 -7.59992 TIMING: 3773000 CPU: 11304.8, 0.00304013/step Wall: 11304.8, 0.00304013/step, 1.03618 hours remaining, 205.031250 MB of memory in use. ENERGY: 3773000 765.8923 2068.6091 1926.5101 102.0899 -206171.2774 17665.1727 0.0000 0.0000 34345.8346 -149297.1687 299.9507 -183643.0033 -149203.4868 299.5409 -49.0159 -16.3527 555961.7380 13.3077 13.4866 PRESSURE: 3773200 -172.261 -5.44326 37.7938 -5.44366 54.9659 -4.82641 37.7937 -4.8272 1.8397 GPRESSURE: 3773200 -93.115 -46.6304 25.9504 -55.3608 59.6041 61.742 30.2457 1.46446 7.16064 PRESSAVG: 3773200 48.0896 39.6178 9.01966 39.6178 46.7502 64.0774 9.01972 64.0773 -128.973 GPRESSAVG: 3773200 48.9571 39.4449 7.22321 39.7584 47.0608 63.7759 10.6184 64.2778 -129.77 TIMING: 3773200 CPU: 11305.4, 0.00304713/step Wall: 11305.4, 0.00304713/step, 1.03839 hours remaining, 205.031250 MB of memory in use. ENERGY: 3773200 737.5165 1980.0452 1922.0755 103.0321 -205926.2567 17681.0170 0.0000 0.0000 34130.8869 -149371.6834 298.0735 -183502.5704 -149282.3841 298.3651 -38.4852 -8.7834 556582.5226 -11.3777 -11.2506 PRESSURE: 3773400 156.608 -74.6984 44.679 -74.6989 28.9032 6.21894 44.6792 6.21972 57.0322 GPRESSURE: 3773400 151.885 -126.109 29.6395 -106.974 48.8401 26.7018 -4.69058 -49.3515 128.564 PRESSAVG: 3773400 -14.1305 -10.6805 15.1066 -10.6805 5.11209 -25.1717 15.1067 -25.1719 -10.8911 GPRESSAVG: 3773400 -15.519 -7.36757 16.7854 -11.624 5.80979 -27.1098 13.5584 -23.6209 -9.96439 TIMING: 3773400 CPU: 11306, 0.0030358/step Wall: 11306, 0.0030358/step, 1.03437 hours remaining, 205.031250 MB of memory in use. ENERGY: 3773400 700.4173 2036.8229 1935.9608 112.4690 -206172.5044 17758.5084 0.0000 0.0000 34300.9872 -149327.3388 299.5591 -183628.3260 -149231.2312 299.1647 80.8477 109.7631 555790.8085 -6.6365 -6.5579 PRESSURE: 3773600 203.374 197.369 101.621 197.369 239.3 135.125 101.621 135.123 -204.459 GPRESSURE: 3773600 212.735 257.631 120.793 181.61 279.348 68.0556 28.7934 93.2439 -157.501 PRESSAVG: 3773600 -89.8877 -22.6461 -4.86535 -22.6462 18.5901 46.7798 -4.86535 46.7797 39.9804 GPRESSAVG: 3773600 -88.2071 -24.8064 -6.32547 -21.7077 18.26 48.5012 -4.15017 44.6261 38.5227 TIMING: 3773600 CPU: 11306.6, 0.00302075/step Wall: 11306.6, 0.00302075/step, 1.02907 hours remaining, 205.031250 MB of memory in use. ENERGY: 3773600 750.8091 2108.2899 1952.7644 114.1154 -206489.9857 17828.8788 0.0000 0.0000 34513.5848 -149221.5432 301.4157 -183735.1280 -149127.6195 298.8811 79.4049 111.5275 555706.6537 -10.4391 -10.4748 PRESSURE: 3773800 28.3587 -3.85415 -48.1358 -3.85373 -33.6872 -13.8579 -48.1369 -13.8587 -114.905 GPRESSURE: 3773800 48.3351 -30.213 -20.8606 15.1022 2.23389 10.1751 -109.279 -43.5639 -67.783 PRESSAVG: 3773800 -36.3501 -2.88224 22.3551 -2.88223 64.4672 11.9127 22.3552 11.9126 -45.0883 GPRESSAVG: 3773800 -36.3677 -5.51724 24.9934 -2.56456 64.0271 12.5065 22.394 12.7219 -44.3713 TIMING: 3773800 CPU: 11307.3, 0.00303703/step Wall: 11307.3, 0.00303703/step, 1.03444 hours remaining, 205.031250 MB of memory in use. ENERGY: 3773800 750.5634 2172.9929 1908.9086 112.1191 -206313.7267 17859.4543 0.0000 0.0000 34269.6091 -149240.0793 299.2850 -183509.6884 -149143.9702 299.1753 -40.0777 -5.7380 557548.8891 -5.6571 -5.5706 PRESSURE: 3774000 -103.85 -69.9182 107.524 -69.9184 -182.047 -144.566 107.526 -144.564 -200.557 GPRESSURE: 3774000 -124.812 -84.3985 135.312 -92.7535 -135.546 -113.37 43.5437 -95.0958 -142.701 PRESSAVG: 3774000 -16.2824 49.7092 -3.54765 49.7093 -45.6952 -7.06466 -3.54755 -7.06465 65.105 GPRESSAVG: 3774000 -16.0743 52.4149 -7.66823 49.2282 -45.2196 -5.85064 -3.71459 -8.19572 64.4454 TIMING: 3774000 CPU: 11307.9, 0.0030691/step Wall: 11307.9, 0.0030691/step, 1.0452 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: 3774000 754.9604 2100.8830 1908.3946 112.1561 -206088.1284 17601.2144 0.0000 0.0000 34209.2763 -149401.2438 298.7581 -183610.5201 -149310.1593 298.7136 -162.1513 -134.3533 558066.7073 1.0425 1.0505 PRESSURE: 3774200 -192.568 8.34302 299.91 8.34222 -79.6416 -111.774 299.911 -111.772 -34.4427 GPRESSURE: 3774200 -148.104 4.39095 271.135 -48.0071 15.163 -91.5109 330.072 -113.544 -81.9725 PRESSAVG: 3774200 -9.57056 -17.0407 81.6752 -17.0408 21.9827 26.8435 81.6753 26.8436 -32.1812 GPRESSAVG: 3774200 -11.1651 -19.3307 83.8181 -16.0455 21.626 25.1568 82.3618 26.2507 -30.0088 TIMING: 3774200 CPU: 11308.5, 0.00307014/step Wall: 11308.5, 0.00307014/step, 1.04538 hours remaining, 205.031250 MB of memory in use. ENERGY: 3774200 729.2092 2097.4027 1938.8662 113.4310 -206103.3113 17865.1113 0.0000 0.0000 34230.5598 -149128.7310 298.9440 -183359.2909 -149033.2865 299.3874 -102.2173 -71.6379 559896.4846 -6.5897 -6.5160 PRESSURE: 3774400 -529.242 91.3366 55.6678 91.3354 -89.7222 -25.5605 55.6677 -25.5603 -136.962 GPRESSURE: 3774400 -447.828 152.045 20.757 48.6078 -82.1514 -79.7427 10.5477 -16.8168 -135.199 PRESSAVG: 3774400 7.30113 -12.9727 -26.2706 -12.9727 -55.5691 -13.2134 -26.2704 -13.2135 18.7383 GPRESSAVG: 3774400 8.71909 -12.5006 -24.0818 -15.4917 -54.7137 -14.0254 -27.8534 -10.77 16.6159 TIMING: 3774400 CPU: 11309.1, 0.00304572/step Wall: 11309.1, 0.00304572/step, 1.0369 hours remaining, 205.031250 MB of memory in use. ENERGY: 3774400 748.5498 2022.2299 1949.2062 105.1000 -206053.9747 17625.5068 0.0000 0.0000 34390.2259 -149213.1561 300.3384 -183603.3820 -149121.5546 299.0722 -251.9753 -221.7260 560410.2056 -9.8432 -9.7929 PRESSURE: 3774600 58.4508 56.8503 59.182 56.8503 -189.575 41.9599 59.1822 41.9614 -44.2419 GPRESSURE: 3774600 89.136 99.0634 26.3583 7.27088 -235.292 34.2767 98.6656 39.073 59.4526 PRESSAVG: 3774600 10.7431 33.5614 -45.5964 33.5615 -33.8531 14.5321 -45.5964 14.532 50.3786 GPRESSAVG: 3774600 8.57995 35.6373 -49.02 34.4883 -34.1091 15.826 -44.1981 12.7528 52.9553 TIMING: 3774600 CPU: 11309.7, 0.00307874/step Wall: 11309.7, 0.00307874/step, 1.04797 hours remaining, 205.031250 MB of memory in use. ENERGY: 3774600 742.5460 2092.4634 1954.0751 101.1182 -206125.4880 17584.6207 0.0000 0.0000 34397.2608 -149253.4039 300.3998 -183650.6648 -149149.8632 298.9724 -58.4554 -28.9011 557304.5515 9.0895 9.1421 PRESSURE: 3774800 -173.917 76.919 -70.5073 76.918 -247.421 64.5505 -70.5071 64.5497 1.44031 GPRESSURE: 3774800 -140.902 99.2611 -66.0341 92.625 -181.111 98.4782 -66.7283 12.2675 6.1836 PRESSAVG: 3774800 29.0186 44.8045 -12.0475 44.8045 -86.024 16.0073 -12.0476 16.0073 32.5004 GPRESSAVG: 3774800 30.3054 43.5521 -13.1476 45.7179 -87.4874 15.0891 -11.169 18.7554 32.0031 TIMING: 3774800 CPU: 11310.3, 0.00306236/step Wall: 11310.3, 0.00306236/step, 1.04222 hours remaining, 205.031250 MB of memory in use. ENERGY: 3774800 721.2374 2095.8803 1945.5026 120.0204 -205606.1273 17514.6949 0.0000 0.0000 33928.6546 -149280.1370 296.3074 -183208.7916 -149185.3870 299.2678 -139.9658 -105.2763 559262.3610 -8.1683 -8.3930 PRESSURE: 3775000 140.092 43.8368 -65.2637 43.8379 -36.7862 5.72565 -65.2646 5.72567 320.038 GPRESSURE: 3775000 155.761 88.4508 -71.4807 24.7325 89.6588 11.4963 -4.74913 5.61148 281.916 PRESSAVG: 3775000 8.90155 22.0209 -28.2279 22.0208 1.61387 15.0963 -28.228 15.0962 -38.0129 GPRESSAVG: 3775000 7.53219 22.0404 -28.5642 20.8322 4.90355 16.288 -27.8976 13.4873 -39.8196 TIMING: 3775000 CPU: 11310.9, 0.00306089/step Wall: 11310.9, 0.00306089/step, 1.04155 hours remaining, 205.031250 MB of memory in use. ENERGY: 3775000 749.9882 2144.7084 1938.8198 107.6959 -206713.1961 18015.7469 0.0000 0.0000 34500.6921 -149255.5448 301.3031 -183756.2369 -149166.4841 298.5064 141.1144 175.7784 556684.7838 -9.1658 -9.1280 PRESSURE: 3775200 282.094 81.7208 -6.84174 81.7203 123.427 71.913 -6.84073 71.912 148.45 GPRESSURE: 3775200 350.955 98.3801 -16.1878 55.1167 164.313 111.89 45.9979 -56.7206 130.989 PRESSAVG: 3775200 57.1957 22.7953 3.3171 22.7952 -39.3863 16.564 3.3171 16.564 -7.67811 GPRESSAVG: 3775200 57.4788 21.6498 2.5864 24.4857 -41.2936 18.2057 3.58165 15.2185 -5.60917 TIMING: 3775200 CPU: 11311.5, 0.0030336/step Wall: 11311.5, 0.0030336/step, 1.0321 hours remaining, 205.031250 MB of memory in use. ENERGY: 3775200 759.0739 2086.1515 1937.1220 117.3484 -206322.3031 18013.5332 0.0000 0.0000 34144.1979 -149264.8762 298.1898 -183409.0741 -149168.4303 299.1049 184.6569 215.4190 556818.7661 3.3771 3.5253 PRESSURE: 3775400 -187.111 43.7692 -133.995 43.7702 -37.6064 114.936 -133.996 114.936 -133.135 GPRESSURE: 3775400 -159.41 10.2549 -98.3398 37.203 10.1826 147.301 -124.814 43.8314 -115.778 PRESSAVG: 3775400 42.9548 1.68755 -37.8411 1.68761 3.07309 -0.587215 -37.8411 -0.587275 -63.6175 GPRESSAVG: 3775400 42.4667 1.9308 -35.8293 1.06939 2.65053 -3.34325 -38.1012 -0.484029 -63.0218 TIMING: 3775400 CPU: 11312.1, 0.00306696/step Wall: 11312.1, 0.00306696/step, 1.04328 hours remaining, 205.031250 MB of memory in use. ENERGY: 3775400 689.7541 2075.5394 1958.1668 114.5570 -205433.4436 17355.7527 0.0000 0.0000 34099.3741 -149140.2994 297.7983 -183239.6735 -149041.5133 298.8698 -119.2841 -88.3353 558973.8438 -5.8632 -5.9682 PRESSURE: 3775600 -62.0003 -129.139 -107.229 -129.139 -262.883 34.5495 -107.228 34.5488 68.5019 GPRESSURE: 3775600 -13.2256 -181.542 -112.757 -114.481 -171.689 7.05446 -61.1611 74.3935 27.7996 PRESSAVG: 3775600 44.1929 36.133 47.4145 36.1329 -1.54314 -23.375 47.4146 -23.3749 -62.3881 GPRESSAVG: 3775600 43.8326 37.6674 48.423 35.4059 -0.669318 -20.3302 45.8935 -23.5734 -63.6227 TIMING: 3775600 CPU: 11312.8, 0.00304941/step Wall: 11312.8, 0.00304941/step, 1.03714 hours remaining, 205.031250 MB of memory in use. ENERGY: 3775600 729.4917 2106.5781 1959.6231 107.6984 -206127.6351 17773.4255 0.0000 0.0000 34270.5091 -149180.3091 299.2929 -183450.8183 -149089.1554 299.3648 -85.4605 -52.3715 557579.2875 -6.5794 -6.8198 PRESSURE: 3775800 -63.2501 -24.2732 23.1694 -24.2732 -46.6741 -107.443 23.1706 -107.443 -345.683 GPRESSURE: 3775800 -11.5626 -57.7711 -34.4623 -42.6601 -86.5963 -105.665 11.8969 -80.7127 -253.267 PRESSAVG: 3775800 -18.0884 -20.604 -3.23703 -20.604 -9.19936 -0.932539 -3.23703 -0.932699 -7.36954 GPRESSAVG: 3775800 -17.4547 -21.8715 -3.69525 -20.4476 -11.1203 -2.52034 -2.30011 -0.700795 -5.59063 TIMING: 3775800 CPU: 11313.4, 0.00305083/step Wall: 11313.4, 0.00305083/step, 1.03745 hours remaining, 205.031250 MB of memory in use. ENERGY: 3775800 722.0456 2028.7474 1961.2864 108.5600 -205787.7028 17520.7324 0.0000 0.0000 34423.0181 -149023.3130 300.6248 -183446.3312 -148923.4589 299.4551 -151.8692 -117.1419 559681.2684 -11.5524 -11.3886 PRESSURE: 3776000 -149.857 -62.3248 77.6463 -62.3259 155.368 -102.726 77.6472 -102.724 -88.0374 GPRESSURE: 3776000 -150.897 -31.6907 47.2489 2.6524 238.026 -119.008 92.4862 -134.508 -69.9202 PRESSAVG: 3776000 13.5777 36.407 -17.4156 36.407 -21.2298 -12.5811 -17.4156 -12.5812 60.3144 GPRESSAVG: 3776000 13.9746 36.9069 -17.1971 35.3034 -19.7371 -14.2906 -19.5332 -11.9741 58.4508 TIMING: 3776000 CPU: 11314, 0.00304785/step Wall: 11314, 0.00304785/step, 1.03627 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: 3776000 739.2544 2096.2645 1937.0609 117.1397 -206324.9378 17887.5314 0.0000 0.0000 34459.2812 -149088.4056 300.9415 -183547.6868 -148994.0941 299.2530 -27.5088 5.7362 558108.3171 17.5541 17.5628 PRESSURE: 3776200 -161.845 -18.1885 91.2627 -18.1879 -194.046 95.753 91.2637 95.7533 -73.1385 GPRESSURE: 3776200 -160.434 -19.2046 132.871 43.2731 -120.207 184.461 140.357 141.329 -43.2416 PRESSAVG: 3776200 71.0337 -25.0065 7.28991 -25.0065 -25.1408 43.2952 7.2899 43.2951 -66.5481 GPRESSAVG: 3776200 71.4612 -27.7474 6.89195 -22.4511 -25.921 46.0605 8.70167 43.613 -66.3244 TIMING: 3776200 CPU: 11314.6, 0.00304661/step Wall: 11314.6, 0.00304661/step, 1.03568 hours remaining, 205.031250 MB of memory in use. ENERGY: 3776200 738.8317 2103.8922 1962.4443 108.4724 -205974.1687 17622.1805 0.0000 0.0000 34484.1670 -148954.1806 301.1588 -183438.3475 -148849.9748 299.5669 -143.0100 -107.9608 558024.8570 -6.8851 -6.9281 LDB: ============= START OF LOAD BALANCING ============== 11318 LDB: ============== END OF LOAD BALANCING =============== 11318 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11318 LDB: ============= START OF LOAD BALANCING ============== 11318.3 LDB: Largest compute 4820 load 0.024612 is 20.8% of average load 0.118223 LDB: Average compute 0.001722 is 1.5% of average load 0.118223 LDB: TIME 11318.3 LOAD: AVG 0.118223 MAX 0.223788 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.574 MB LDB: TIME 11318.3 LOAD: AVG 0.118223 MAX 0.223788 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.578 MB LDB: TIME 11318.3 LOAD: AVG 0.118223 MAX 0.223788 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11318.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11318.3 PRESSURE: 3776400 106.862 -103.355 96.4235 -103.356 -87.2721 -152.547 96.4238 -152.546 -154.827 GPRESSURE: 3776400 110.489 -178.865 83.3257 -65.6374 -18.3775 -154.354 55.5409 -122.457 -119.102 PRESSAVG: 3776400 43.1297 -5.53902 10.924 -5.53902 26.0503 -4.87112 10.924 -4.87108 -49.1863 GPRESSAVG: 3776400 42.3314 -3.20584 10.5694 -7.1319 26.1345 -7.49193 12.7906 -3.63979 -48.2085 TIMING: 3776400 CPU: 11315.2, 0.0031054/step Wall: 11315.2, 0.0031054/step, 1.05549 hours remaining, 205.238281 MB of memory in use. ENERGY: 3776400 792.0275 2096.9116 1970.2244 106.1938 -205916.8497 17875.8376 0.0000 0.0000 34331.6088 -148744.0461 299.8265 -183075.6548 -148654.8563 300.2213 -45.0790 -8.9970 558063.0871 6.6646 6.7525 PRESSURE: 3776600 205.589 -107.803 158.093 -107.803 407.521 9.00536 158.092 9.0059 -113.995 GPRESSURE: 3776600 182.666 -108.124 106.576 -97.6302 431.236 -74.9346 208.561 -25.7816 -30.3017 PRESSAVG: 3776600 -17.029 -37.9787 56.2216 -37.9787 8.44239 -27.5544 56.2215 -27.5544 -27.5933 GPRESSAVG: 3776600 -17.5981 -38.4838 58.2405 -37.5456 8.36658 -25.2052 53.7706 -31.1197 -27.1464 TIMING: 3776600 CPU: 11315.8, 0.00304484/step Wall: 11315.8, 0.00304484/step, 1.03474 hours remaining, 205.441406 MB of memory in use. ENERGY: 3776600 701.3054 2116.9353 1946.9697 98.1418 -205848.4863 17868.7910 0.0000 0.0000 34209.7529 -148906.5902 298.7623 -183116.3432 -148804.7412 300.1651 166.3716 194.5333 556772.0890 -12.0600 -12.1260 PRESSURE: 3776800 -277.436 -57.9007 70.4706 -57.9018 -25.5165 189.035 70.4707 189.033 100.414 GPRESSURE: 3776800 -231.291 -13.8556 184.106 -70.1896 -44.6523 202.821 20.6119 104.05 163.376 PRESSAVG: 3776800 -25.3117 6.44 -0.0389735 6.43999 4.82287 34.8264 -0.0388629 34.8265 -2.62753 GPRESSAVG: 3776800 -24.1337 5.81768 -0.754424 6.10446 3.56043 36.0819 1.81407 35.7886 -3.01411 TIMING: 3776800 CPU: 11316.4, 0.00306423/step Wall: 11316.4, 0.00306423/step, 1.04116 hours remaining, 205.441406 MB of memory in use. ENERGY: 3776800 736.3420 2177.0126 1961.6760 122.3289 -206020.0368 17910.7300 0.0000 0.0000 34389.8864 -148722.0608 300.3354 -183111.9472 -148619.8689 299.9153 -67.5127 -37.5224 559981.7307 -7.7054 -7.8625 PRESSURE: 3777000 34.03 167.13 193.129 167.129 -224.836 90.6099 193.128 90.6094 -33.1177 GPRESSURE: 3777000 95.5199 103.058 182.334 204.08 -146.237 36.4953 214.847 94.6493 -80.6231 PRESSAVG: 3777000 39.7616 6.96835 31.9765 6.96838 -12.386 33.9187 31.9765 33.919 -7.02998 GPRESSAVG: 3777000 38.5381 5.74901 30.5771 7.67986 -10.3714 32.2437 32.052 36.5856 -8.30919 TIMING: 3777000 CPU: 11317, 0.00306478/step Wall: 11317, 0.00306478/step, 1.04117 hours remaining, 205.441406 MB of memory in use. ENERGY: 3777000 748.2661 2094.3390 1955.0200 103.6878 -205881.6895 17802.5189 0.0000 0.0000 34279.8273 -148898.0303 299.3743 -183177.8577 -148802.0488 300.1787 -74.6411 -43.7799 559770.7683 6.7819 6.6192 PRESSURE: 3777200 138.898 1.12241 -226.322 1.12139 60.8758 39.6793 -226.321 39.6796 -115.952 GPRESSURE: 3777200 139.939 31.5722 -243.686 -5.26353 88.1127 65.5952 -193.924 -29.7472 -59.8506 PRESSAVG: 3777200 55.9896 -16.7796 -30.0386 -16.7795 -44.5219 37.306 -30.0386 37.306 23.7934 GPRESSAVG: 3777200 56.7808 -15.3466 -29.9925 -18.775 -45.4656 37.5411 -31.7918 34.0451 24.0157 TIMING: 3777200 CPU: 11317.7, 0.00303828/step Wall: 11317.7, 0.00303828/step, 1.032 hours remaining, 205.441406 MB of memory in use. ENERGY: 3777200 739.6014 2017.6551 1951.6185 116.6731 -205857.9515 17933.3296 0.0000 0.0000 34195.7505 -148903.3233 298.6400 -183099.0738 -148807.7696 299.6900 27.9404 56.0670 559713.9135 11.7537 11.7770 PRESSURE: 3777400 -35.3461 46.4479 -17.0448 46.4483 -46.2813 18.3284 -17.0454 18.3304 -52.1902 GPRESSURE: 3777400 3.47959 -25.802 -7.54385 14.4188 -25.0539 -29.9308 29.2362 50.4935 -17.456 PRESSAVG: 3777400 130.004 -51.9392 0.703016 -51.9393 -69.3263 -3.70245 0.702906 -3.70251 -6.47701 GPRESSAVG: 3777400 130.377 -53.7659 1.49339 -49.7708 -68.6321 -5.70365 0.0712418 -1.99087 -7.32483 TIMING: 3777400 CPU: 11318.3, 0.00302641/step Wall: 11318.3, 0.00302641/step, 1.0278 hours remaining, 205.441406 MB of memory in use. ENERGY: 3777400 758.2542 2106.9982 1945.3932 109.0393 -205887.3293 17808.1853 0.0000 0.0000 34257.3484 -148902.1107 299.1779 -183159.4591 -148823.4366 299.2295 -44.6059 -13.0101 560166.8631 18.0669 18.1400 PRESSURE: 3777600 39.355 22.259 115.662 22.2597 -6.78253 10.6093 115.662 10.6097 -80.8428 GPRESSURE: 3777600 27.644 86.1561 186.696 -21.8787 59.1237 86.9127 87.2769 -63.2696 -49.781 PRESSAVG: 3777600 2.11036 -7.76866 38.375 -7.7687 22.7884 -64.3661 38.375 -64.3663 -11.8049 GPRESSAVG: 3777600 1.58749 -5.6166 38.5238 -8.01085 21.7091 -61.9515 37.8398 -63.3488 -10.1574 TIMING: 3777600 CPU: 11318.9, 0.00306471/step Wall: 11318.9, 0.00306471/step, 1.04064 hours remaining, 205.441406 MB of memory in use. ENERGY: 3777600 724.7773 2128.7285 1935.1112 109.0742 -206136.4487 17867.6457 0.0000 0.0000 34494.4394 -148876.6724 301.2485 -183371.1118 -148777.4674 299.2823 -16.0901 12.3289 559789.9447 4.3646 4.3797 PRESSURE: 3777800 223.915 -155.525 -78.2029 -155.524 27.3576 -100.611 -78.2027 -100.611 415.467 GPRESSURE: 3777800 262.138 -173.856 -44.2469 -167.788 89.3693 -41.9759 -71.9422 -96.6877 411.243 PRESSAVG: 3777800 -33.187 -70.857 60.0902 -70.8571 5.78506 -18.64 60.0902 -18.6399 24.9315 GPRESSAVG: 3777800 -32.8625 -71.8373 57.7916 -71.0558 7.39767 -19.3104 62.4295 -20.6266 22.7547 TIMING: 3777800 CPU: 11319.5, 0.00303309/step Wall: 11319.5, 0.00303309/step, 1.02973 hours remaining, 205.441406 MB of memory in use. ENERGY: 3777800 697.3654 2075.4124 1980.0697 117.7604 -206250.2307 18065.5210 0.0000 0.0000 34497.8756 -148816.2261 301.2785 -183314.1018 -148717.2066 300.3383 222.2467 254.2499 557380.8584 -0.8235 -0.9034 PRESSURE: 3778000 -230.648 33.9227 54.5536 33.9238 -24.9874 -92.888 54.5551 -92.8889 22.849 GPRESSURE: 3778000 -205.852 49.003 151.318 48.1988 -20.5045 -187.445 43.0349 -20.9499 98.2274 PRESSAVG: 3778000 -58.7627 1.97792 15.0582 1.97799 17.644 17.0683 15.0583 17.0683 23.0562 GPRESSAVG: 3778000 -59.1202 1.29344 17.2062 2.28727 17.0349 15.114 13.4657 18.7593 23.854 TIMING: 3778000 CPU: 11320.1, 0.00305535/step Wall: 11320.1, 0.00305535/step, 1.03712 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: 3778000 703.8886 2099.0772 1946.6113 109.9831 -205756.1853 17668.5081 0.0000 0.0000 34337.4474 -148890.6696 299.8775 -183228.1170 -148798.4491 300.6242 -77.5956 -42.7096 559985.7059 -6.0208 -6.0771 PRESSURE: 3778200 -185.255 -23.1672 75.3196 -23.1652 -153.941 -28.7574 75.3214 -28.7563 -197.256 GPRESSURE: 3778200 -150.167 52.7068 94.7576 -101.77 -152.894 -3.69355 58.6772 -57.8605 -152.262 PRESSAVG: 3778200 -19.4345 -37.0568 41.326 -37.0568 -26.4987 -61.06 41.326 -61.06 7.41467 GPRESSAVG: 3778200 -19.7211 -35.8014 38.9396 -37.7635 -27.2985 -61.6425 43.6669 -60.6413 7.95813 TIMING: 3778200 CPU: 11320.7, 0.00305909/step Wall: 11320.7, 0.00305909/step, 1.03822 hours remaining, 205.441406 MB of memory in use. ENERGY: 3778200 728.6025 2115.7860 1993.7639 108.9618 -205949.0984 17640.3090 0.0000 0.0000 34202.8037 -149158.8717 298.7016 -183361.6753 -149064.1474 299.1959 -178.8176 -151.7743 559743.1709 -12.8395 -13.0205 PRESSURE: 3778400 78.2383 81.1633 54.1193 81.1649 -125.36 -13.8953 54.119 -13.8956 347.686 GPRESSURE: 3778400 8.92093 80.6606 40.9454 55.9791 -41.1352 11.2835 1.50441 -41.8261 423.93 PRESSAVG: 3778400 6.65437 20.1318 -27.5206 20.1318 -48.3094 32.6297 -27.5205 32.6297 53.0046 GPRESSAVG: 3778400 6.22232 18.605 -25.524 22.0143 -49.5061 35.7061 -28.8523 31.9124 54.2415 TIMING: 3778400 CPU: 11321.3, 0.00305513/step Wall: 11321.3, 0.00305513/step, 1.03671 hours remaining, 205.441406 MB of memory in use. ENERGY: 3778400 780.6916 2103.5708 1939.3137 120.5601 -206556.4368 18065.6485 0.0000 0.0000 34320.1838 -149226.4683 299.7267 -183546.6520 -149134.5776 298.8471 100.1881 130.5719 557580.2804 3.7832 3.6526 PRESSURE: 3778600 114.163 121.254 33.4994 121.255 2.3743 26.2483 33.4996 26.2484 -144.511 GPRESSURE: 3778600 164.382 123.285 34.7347 89.8179 56.5413 -68.9918 79.7864 81.8366 -157.92 PRESSAVG: 3778600 -7.41407 47.9306 25.9756 47.9306 -29.7964 35.177 25.9757 35.1769 65.2901 GPRESSAVG: 3778600 -8.06797 48.0375 25.0024 47.0625 -27.899 33.9426 24.9175 34.4478 63.6441 TIMING: 3778600 CPU: 11321.9, 0.00303702/step Wall: 11321.9, 0.00303702/step, 1.03039 hours remaining, 205.441406 MB of memory in use. ENERGY: 3778600 738.1427 2109.0233 1949.9901 107.5389 -206048.4026 17881.7820 0.0000 0.0000 34102.0477 -149159.8779 297.8217 -183261.9256 -149055.8227 299.1924 -9.3244 21.0010 558367.6739 9.3599 9.2257 PRESSURE: 3778800 -39.16 27.4817 31.5549 27.4831 76.3807 -35.4724 31.5542 -35.4725 83.5547 GPRESSURE: 3778800 23.0207 37.7571 -78.9892 47.825 119.133 -71.9046 107.053 14.566 85.9349 PRESSAVG: 3778800 34.948 12.5924 25.6285 12.5924 50.1205 25.0653 25.6286 25.0653 -98.17 GPRESSAVG: 3778800 36.0245 14.1214 26.3095 12.224 48.9416 22.817 26.0684 27.0943 -97.7661 TIMING: 3778800 CPU: 11322.5, 0.00304416/step Wall: 11322.5, 0.00304416/step, 1.03265 hours remaining, 205.441406 MB of memory in use. ENERGY: 3778800 729.7700 2058.2828 1940.5662 121.3037 -206311.9822 18129.0284 0.0000 0.0000 34138.5376 -149194.4935 298.1403 -183333.0311 -149094.7616 298.9793 40.2585 76.0295 559465.5206 -4.3672 -4.2666 PRESSURE: 3779000 91.5737 24.8124 -194.797 24.8113 -19.1582 -78.1489 -194.798 -78.1489 29.3501 GPRESSURE: 3779000 132.125 -72.0173 -82.0661 22.152 42.6492 -173.846 -189.757 -72.3747 26.6579 PRESSAVG: 3779000 -17.809 29.1218 -3.34645 29.1217 83.6898 26.0592 -3.34652 26.0593 -40.1311 GPRESSAVG: 3779000 -18.4257 27.0247 -2.31004 29.4099 84.7453 26.9061 -3.33773 25.6036 -40.8764 TIMING: 3779000 CPU: 11323.1, 0.00303244/step Wall: 11323.1, 0.00303244/step, 1.0285 hours remaining, 205.441406 MB of memory in use. ENERGY: 3779000 761.1965 2081.3775 1932.0509 93.8655 -206307.5537 17861.9851 0.0000 0.0000 34288.6823 -149288.3959 299.4516 -183577.0782 -149199.1655 298.4110 33.9219 67.1441 557449.5449 8.5832 8.4811 PRESSURE: 3779200 235.025 -146.281 -69.9323 -146.282 197.999 114.487 -69.9336 114.489 37.6514 GPRESSURE: 3779200 194.039 -189.586 -73.1022 -109.344 235.551 138.58 -56.7438 87.6909 143.733 PRESSAVG: 3779200 -0.441585 -54.7079 5.56317 -54.7079 11.6917 12.5246 5.56323 12.5246 -44.7778 GPRESSAVG: 3779200 -0.665023 -53.8738 3.57717 -53.4171 11.1436 14.4939 4.73716 11.3836 -44.277 TIMING: 3779200 CPU: 11323.7, 0.00301882/step Wall: 11323.7, 0.00301882/step, 1.02371 hours remaining, 205.441406 MB of memory in use. ENERGY: 3779200 785.0469 2095.2400 1961.0123 114.6997 -206523.6952 18070.1004 0.0000 0.0000 34039.7686 -149457.8273 297.2778 -183497.5959 -149358.5215 298.6473 156.8918 191.1077 555894.3006 -11.1759 -11.2661 PRESSURE: 3779400 -240.269 -80.0854 164.365 -80.0855 197.923 -80.7427 164.366 -80.7426 -80.4596 GPRESSURE: 3779400 -173.953 -128.301 139.811 -41.7664 165.813 -42.7839 157.108 -90.5082 -22.4055 PRESSAVG: 3779400 56.4936 -10.6468 27.7925 -10.6468 17.0059 -20.1132 27.7925 -20.1132 -36.1358 GPRESSAVG: 3779400 56.0526 -9.48763 27.5439 -10.3289 16.5935 -19.5374 28.6829 -19.7826 -35.883 TIMING: 3779400 CPU: 11324.3, 0.00302221/step Wall: 11324.3, 0.00302221/step, 1.0247 hours remaining, 205.441406 MB of memory in use. ENERGY: 3779400 758.3786 2119.2307 1930.9015 109.5103 -206583.9001 18000.9610 0.0000 0.0000 34212.6828 -149452.2352 298.7879 -183664.9181 -149359.6684 298.3269 -40.9352 -10.1818 557932.9221 12.4546 12.2544 PRESSURE: 3779600 -4.5692 27.7646 142.306 27.7645 -22.0977 -220.129 142.306 -220.129 -139.776 GPRESSURE: 3779600 32.7457 -22.546 91.4492 59.0037 57.8636 -175.272 181.655 -212.371 -158.935 PRESSAVG: 3779600 -38.9776 31.6111 26.8943 31.6111 28.7484 47.2423 26.8942 47.2423 -1.58324 GPRESSAVG: 3779600 -38.968 33.4664 28.0346 29.0681 28.245 46.609 26.9042 47.2432 -1.23215 TIMING: 3779600 CPU: 11325, 0.00307263/step Wall: 11325, 0.00307263/step, 1.04162 hours remaining, 205.441406 MB of memory in use. ENERGY: 3779600 734.3379 2119.1661 1950.1504 112.5485 -206077.1662 17613.6990 0.0000 0.0000 34162.5650 -149384.6993 298.3502 -183547.2643 -149294.4066 299.1080 -55.4810 -22.7753 557105.3297 -3.9375 -3.9851 PRESSURE: 3779800 -70.1691 12.6829 106.097 12.6825 -68.6108 -62.4897 106.097 -62.4897 -112.557 GPRESSURE: 3779800 -19.1503 6.61001 68.7724 47.3236 15.7649 -40.7127 101.141 -21.4496 -153.344 PRESSAVG: 3779800 27.2354 8.20163 0.596659 8.20166 61.6429 45.1363 0.596709 45.1362 -95.4925 GPRESSAVG: 3779800 27.7182 4.66742 0.45635 10.2773 62.9764 45.0479 -1.31042 46.3716 -97.2055 TIMING: 3779800 CPU: 11325.6, 0.00307538/step Wall: 11325.6, 0.00307538/step, 1.04238 hours remaining, 205.441406 MB of memory in use. ENERGY: 3779800 760.5033 2086.5084 1932.6457 118.7395 -206242.5537 17664.6000 0.0000 0.0000 34234.3432 -149445.2135 298.9770 -183679.5567 -149354.9852 298.1392 -83.7789 -52.2430 558177.1965 -2.2048 -2.1703 PRESSURE: 3780000 205.85 97.6886 55.1971 97.6879 65.1964 -164.574 55.1969 -164.572 115.296 GPRESSURE: 3780000 204.428 81.4965 31.4708 92.1176 127.595 -88.8175 61.7527 -249.045 141.535 PRESSAVG: 3780000 1.20332 28.7837 9.43527 28.7838 17.0497 16.8786 9.4352 16.8786 -14.4826 GPRESSAVG: 3780000 -0.0143189 28.3778 10.6127 29.0268 15.9807 17.3366 9.63055 17.0916 -11.7544 TIMING: 3780000 CPU: 11326.2, 0.00305716/step Wall: 11326.2, 0.00305716/step, 1.03604 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: 3780000 714.0902 2039.4329 1966.8523 109.6416 -206544.5169 17875.8144 0.0000 0.0000 34345.0752 -149493.6102 299.9441 -183838.6854 -149397.4978 297.9837 128.7809 157.8528 556792.1497 1.2568 1.4040 PRESSURE: 3780200 -76.4508 -55.8181 -226.113 -55.819 138.957 44.4967 -226.112 44.4963 275.616 GPRESSURE: 3780200 -31.6095 -55.1577 -214.283 -38.9919 165.789 63.6487 -324.779 51.7503 292.249 PRESSAVG: 3780200 12.7861 3.95392 33.9173 3.95381 -1.60188 35.8011 33.9173 35.8009 18.2321 GPRESSAVG: 3780200 12.7394 6.30011 32.4968 1.47219 -0.527862 34.9965 34.9291 35.4992 16.4979 TIMING: 3780200 CPU: 11326.8, 0.00305768/step Wall: 11326.8, 0.00305768/step, 1.03604 hours remaining, 205.441406 MB of memory in use. ENERGY: 3780200 777.1222 2052.9403 1958.6800 100.5688 -206621.4695 18251.0735 0.0000 0.0000 34134.4722 -149346.6126 298.1048 -183481.0848 -149256.3035 298.5523 112.7074 142.1428 557998.1750 9.8054 9.5698 LDB: ============= START OF LOAD BALANCING ============== 11330.2 LDB: ============== END OF LOAD BALANCING =============== 11330.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11330.2 LDB: ============= START OF LOAD BALANCING ============== 11330.5 LDB: Largest compute 4820 load 0.023261 is 19.7% of average load 0.118215 LDB: Average compute 0.001715 is 1.5% of average load 0.118215 LDB: TIME 11330.5 LOAD: AVG 0.118215 MAX 0.220822 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.012 MB LDB: TIME 11330.5 LOAD: AVG 0.118215 MAX 0.220822 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.215 MB LDB: TIME 11330.5 LOAD: AVG 0.118215 MAX 0.220822 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.215 MB LDB: ============== END OF LOAD BALANCING =============== 11330.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11330.5 PRESSURE: 3780400 245.012 17.3915 -20.3209 17.3914 -77.6081 -127.937 -20.3202 -127.936 -0.636935 GPRESSURE: 3780400 268.314 41.1049 -30.639 30.3603 -6.81866 -82.8738 -42.9426 -138.186 1.68017 PRESSAVG: 3780400 -8.83154 -37.0389 -7.91193 -37.0389 57.1924 32.343 -7.91186 32.343 -20.4496 GPRESSAVG: 3780400 -7.76314 -36.3718 -7.69735 -36.9184 55.4464 32.9182 -7.83996 30.7187 -19.9166 TIMING: 3780400 CPU: 11327.4, 0.00311151/step Wall: 11327.4, 0.00311151/step, 1.05411 hours remaining, 206.703125 MB of memory in use. ENERGY: 3780400 735.4868 2103.4826 1969.3100 124.3305 -206560.7288 18115.2207 0.0000 0.0000 34275.1819 -149237.7162 299.3337 -183512.8982 -149142.0140 299.1784 55.5890 87.7251 559025.9455 9.3037 9.2556 PRESSURE: 3780600 118.043 46.3755 120.645 46.3752 176.35 -18.7712 120.643 -18.7703 -45.2497 GPRESSURE: 3780600 119.817 50.0836 74.8579 43.1603 208.383 -77 98.9448 -42.1272 12.0251 PRESSAVG: 3780600 12.6772 -7.38629 -32.2363 -7.38627 4.99463 11.9676 -32.2363 11.9676 6.23857 GPRESSAVG: 3780600 11.9859 -8.33484 -32.2393 -5.49553 5.92198 11.1729 -31.5022 14.4956 6.12393 TIMING: 3780600 CPU: 11328, 0.00302577/step Wall: 11328, 0.00302577/step, 1.02489 hours remaining, 206.773438 MB of memory in use. ENERGY: 3780600 727.4549 2056.7165 1944.6386 117.8123 -206367.1424 18069.8249 0.0000 0.0000 34154.3853 -149296.3099 298.2787 -183450.6952 -149197.3982 299.4251 83.0478 113.4082 557875.2926 7.9701 8.0106 PRESSURE: 3780800 -202.721 -168.677 53.9968 -168.677 -117.611 -92.1913 53.9973 -92.1913 -39.4362 GPRESSURE: 3780800 -182.027 -243.704 8.72222 -159.47 -40.5077 -94.4145 76.4368 -37.0314 -41.183 PRESSAVG: 3780800 -40.7224 -29.1016 44.5936 -29.1016 102.151 -58.6843 44.5937 -58.6844 -45.2732 GPRESSAVG: 3780800 -40.2099 -29.7705 46.6019 -31.2401 102.262 -56.7876 41.7096 -58.7977 -45.6305 TIMING: 3780800 CPU: 11328.6, 0.0030619/step Wall: 11328.6, 0.0030619/step, 1.03696 hours remaining, 206.773438 MB of memory in use. ENERGY: 3780800 745.3399 2069.1473 1942.7378 114.2690 -206169.9326 17759.9853 0.0000 0.0000 33994.6809 -149543.7724 296.8840 -183538.4533 -149454.6450 298.1880 -119.9225 -87.9058 558168.2198 5.3851 5.4738 PRESSURE: 3781000 55.8674 7.64942 119.037 7.64831 142.158 83.9954 119.037 83.9965 -44.8176 GPRESSURE: 3781000 120.417 -34.4128 121.625 43.4857 156.914 66.3278 108.062 93.7179 -19.946 PRESSAVG: 3781000 -6.93094 -32.0189 6.39583 -32.019 -32.0974 8.87168 6.39578 8.87176 -9.36166 GPRESSAVG: 3781000 -6.63652 -31.8499 4.8356 -29.9834 -33.7959 7.33572 8.09827 7.63176 -7.59486 TIMING: 3781000 CPU: 11329.2, 0.00303918/step Wall: 11329.2, 0.00303918/step, 1.0291 hours remaining, 206.773438 MB of memory in use. ENERGY: 3781000 752.3791 2018.4533 1961.2652 130.3732 -206369.1061 17961.0346 0.0000 0.0000 34122.8063 -149422.7945 298.0030 -183545.6008 -149331.7310 298.0290 51.0692 85.7949 557880.5647 -16.1300 -16.0091 PRESSURE: 3781200 -21.3389 137.377 -113.247 137.377 -70.4189 131.619 -113.246 131.616 -156.044 GPRESSURE: 3781200 1.14473 135.828 -147.772 150.229 -39.1708 138.672 -100.488 135.946 -119.171 PRESSAVG: 3781200 -7.08412 32.9879 15.8375 32.9879 -14.9409 23.4245 15.8375 23.4245 28.4829 GPRESSAVG: 3781200 -7.51318 33.6987 14.1374 31.562 -13.0546 25.0513 16.3471 20.3751 26.9682 TIMING: 3781200 CPU: 11329.8, 0.00300785/step Wall: 11329.8, 0.00300785/step, 1.01832 hours remaining, 206.773438 MB of memory in use. ENERGY: 3781200 754.8791 2053.8724 1936.4556 115.6848 -206173.0615 17847.9686 0.0000 0.0000 34173.2816 -149290.9195 298.4438 -183464.2011 -149199.8329 298.6365 -82.6007 -52.3991 558089.5498 2.1526 2.1335 PRESSURE: 3781400 163.182 75.2124 -158.62 75.212 -239.21 -5.85 -158.621 -5.84822 -289.182 GPRESSURE: 3781400 179.246 -4.23029 -161.626 3.13921 -207.581 19.0137 -120.522 33.3116 -256.517 PRESSAVG: 3781400 10.188 58.6691 2.24172 58.6691 -21.3984 -11.4368 2.24173 -11.4369 -1.1103 GPRESSAVG: 3781400 10.7378 58.4165 2.55725 59.3645 -21.473 -11.3638 2.55768 -7.3948 -1.62686 TIMING: 3781400 CPU: 11330.4, 0.00301014/step Wall: 11330.4, 0.00301015/step, 1.01893 hours remaining, 206.773438 MB of memory in use. ENERGY: 3781400 775.4381 2104.3887 1926.6847 107.7743 -206187.8911 17718.0131 0.0000 0.0000 34163.2554 -149392.3368 298.3562 -183555.5922 -149291.3109 299.1507 -121.7370 -94.9508 557992.2091 -4.1069 -4.1207 PRESSURE: 3781600 -59.7886 -102.408 -108.626 -102.407 -15.564 127.789 -108.626 127.787 -85.5295 GPRESSURE: 3781600 -40.5355 -168.974 -160.905 -15.7787 71.8178 143.91 -100.091 171.541 -82.8421 PRESSAVG: 3781600 64.0494 4.70643 -21.332 4.70642 -47.599 53.1803 -21.332 53.1803 -33.2255 GPRESSAVG: 3781600 63.1918 4.3039 -21.3706 4.73119 -46.8504 49.8477 -20.8695 52.5919 -32.5919 TIMING: 3781600 CPU: 11331.1, 0.00303401/step Wall: 11331.1, 0.00303401/step, 1.02684 hours remaining, 206.773438 MB of memory in use. ENERGY: 3781600 752.0254 2089.2699 1948.6834 96.3075 -206008.5251 17655.0680 0.0000 0.0000 34090.9649 -149376.2060 297.7249 -183467.1709 -149278.1994 298.6800 -53.6274 -17.1866 557172.0658 -5.5917 -5.4168 PRESSURE: 3781800 -94.6491 16.9688 29.352 16.968 77.4175 -68.8358 29.3517 -68.8362 141.927 GPRESSURE: 3781800 -6.2724 -38.7745 35.7045 58.5542 79.1853 -86.3194 40.3628 -149.548 151.363 PRESSAVG: 3781800 -21.8025 3.40759 -95.525 3.40753 12.7282 -12.3814 -95.5251 -12.3815 14.5712 GPRESSAVG: 3781800 -21.3026 3.53886 -93.4571 2.43576 11.8037 -9.94875 -97.4736 -12.8525 14.8045 TIMING: 3781800 CPU: 11331.7, 0.00302182/step Wall: 11331.7, 0.00302182/step, 1.02255 hours remaining, 206.773438 MB of memory in use. ENERGY: 3781800 753.7124 2106.1812 1925.3781 116.8550 -206451.5157 17938.5642 0.0000 0.0000 34162.0972 -149448.7276 298.3461 -183610.8248 -149349.6728 298.4137 41.5653 74.7587 557258.8996 1.8323 1.7685 PRESSURE: 3782000 -88.1658 60.4488 43.4447 60.45 98.6774 123.08 43.4446 123.081 -153.446 GPRESSURE: 3782000 -7.78977 -1.64244 102.665 44.0336 124.229 131.561 -67.7703 70.8867 -162.213 PRESSAVG: 3782000 -34.5927 2.55511 -39.106 2.55509 14.5621 6.66675 -39.106 6.66683 7.07838 GPRESSAVG: 3782000 -35.1026 1.63457 -40.733 3.53246 14.0303 5.49683 -36.1172 7.47481 7.50206 TIMING: 3782000 CPU: 11332.3, 0.00302199/step Wall: 11332.3, 0.00302199/step, 1.02244 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: 3782000 747.7069 2049.9202 1939.0932 105.8473 -206139.0635 17777.8162 0.0000 0.0000 34210.4415 -149308.2381 298.7683 -183518.6796 -149217.4307 298.5373 -47.6448 -15.2581 557190.9496 -4.3174 -4.5234 PRESSURE: 3782200 -323.406 42.4979 -23.9666 42.4976 -203.286 -19.9134 -23.9662 -19.913 -96.9491 GPRESSURE: 3782200 -241.395 73.9858 -109.401 12.1047 -181.416 -95.7582 -74.1538 -83.7645 -103.879 PRESSAVG: 3782200 -25.6389 3.67201 -7.48576 3.67201 37.9672 -6.48454 -7.48583 -6.4847 36.096 GPRESSAVG: 3782200 -25.1968 3.21738 -5.59696 1.36319 38.8871 -4.95579 -11.6294 -8.59782 34.3946 TIMING: 3782200 CPU: 11332.9, 0.00302175/step Wall: 11332.9, 0.00302175/step, 1.02219 hours remaining, 206.773438 MB of memory in use. ENERGY: 3782200 774.0224 2122.2181 1958.3069 116.3562 -205878.2869 17503.6439 0.0000 0.0000 34334.0743 -149069.6651 299.8480 -183403.7394 -148974.7776 299.6439 -207.8803 -175.5631 557546.9352 16.1414 16.0283 PRESSURE: 3782400 80.3746 79.9425 56.0422 79.9427 -141.75 92.4251 56.0419 92.4242 -249.419 GPRESSURE: 3782400 120.354 43.977 28.7192 48.3382 -94.7266 84.0672 85.7138 55.4673 -243.799 PRESSAVG: 3782400 -5.90618 -10.8963 -3.10264 -10.8964 6.29927 0.109457 -3.10274 0.109419 34.9406 GPRESSAVG: 3782400 -5.91192 -10.3484 -4.64764 -8.62347 5.77351 0.00425021 -1.44492 0.691662 34.8942 TIMING: 3782400 CPU: 11333.5, 0.00302657/step Wall: 11333.5, 0.00302657/step, 1.02365 hours remaining, 206.773438 MB of memory in use. ENERGY: 3782400 756.7846 2121.4824 1977.0871 118.6494 -205967.6657 17722.7524 0.0000 0.0000 34415.6417 -148855.2681 300.5604 -183270.9098 -148753.8024 300.1844 -103.5983 -72.7241 558032.0224 11.7779 11.5852 PRESSURE: 3782600 218.273 -85.6655 24.1309 -85.6668 -101.225 -9.37229 24.1322 -9.37392 23.7434 GPRESSURE: 3782600 228.78 -74.2869 11.3821 -66.3856 -98.2972 -3.18017 7.1955 -15.2706 103.773 PRESSAVG: 3782600 -12.8941 15.1894 57.2119 15.1894 41.8568 -3.16059 57.2118 -3.1605 -12.1588 GPRESSAVG: 3782600 -13.0983 17.5892 57.8915 14.0522 41.0348 -2.25157 58.1319 -4.24509 -11.0434 TIMING: 3782600 CPU: 11334.1, 0.00302459/step Wall: 11334.1, 0.00302459/step, 1.02282 hours remaining, 206.773438 MB of memory in use. ENERGY: 3782600 749.3997 2119.6020 1969.6954 119.7027 -205919.0205 17838.9852 0.0000 0.0000 34370.4141 -148751.2214 300.1654 -183121.6355 -148653.8656 300.4273 46.9304 78.0853 556343.5555 5.6013 5.6310 PRESSURE: 3782800 29.4922 -131.327 274.161 -131.327 -68.5088 -19.0489 274.162 -19.0493 46.3893 GPRESSURE: 3782800 43.8345 -148.731 303.975 -107.577 30.0341 28.7556 237.204 -36.8512 31.3879 PRESSAVG: 3782800 -47.477 4.19243 17.0581 4.19245 13.471 -9.98304 17.0581 -9.98315 3.26513 GPRESSAVG: 3782800 -48.7481 2.61295 18.6216 2.35932 16.3843 -11.9444 16.6058 -9.14295 1.86868 TIMING: 3782800 CPU: 11334.7, 0.00305049/step Wall: 11334.7, 0.00305049/step, 1.03141 hours remaining, 206.773438 MB of memory in use. ENERGY: 3782800 739.8688 2085.0726 1940.1589 114.8012 -205847.0672 17690.0584 0.0000 0.0000 34429.7989 -148847.3083 300.6840 -183277.1072 -148754.3018 300.5710 2.4575 35.0855 557142.8320 -10.2470 -10.1650 PRESSURE: 3783000 248.877 49.7809 17.8719 49.7809 44.2769 84.2028 17.8721 84.2028 337.012 GPRESSURE: 3783000 346.923 137.964 -26.6433 -51.1126 -3.50843 61.6729 51.8434 92.3324 380.745 PRESSAVG: 3783000 -25.5517 -29.8478 54.3696 -29.848 51.36 12.3913 54.3697 12.3912 -2.00573 GPRESSAVG: 3783000 -23.761 -28.7092 53.3613 -26.5323 48.0134 15.4676 56.3135 9.58312 -0.484682 TIMING: 3783000 CPU: 11335.3, 0.00303958/step Wall: 11335.3, 0.00303958/step, 1.02755 hours remaining, 206.773438 MB of memory in use. ENERGY: 3783000 726.0768 2093.6982 1956.3649 123.8171 -206124.9383 18052.9918 0.0000 0.0000 34323.7404 -148848.2492 299.7578 -183171.9896 -148748.7801 300.2952 210.0551 241.3867 557049.3837 7.9342 7.9226 PRESSURE: 3783200 -139.141 41.3968 -18.7218 41.3967 -365.306 11.9214 -18.722 11.9225 -19.7444 GPRESSURE: 3783200 -114.107 1.83361 -45.023 16.199 -338.266 -93.5493 54.5793 112.394 17.7237 PRESSAVG: 3783200 -46.2544 -57.0707 -34.8345 -57.0707 11.7364 -0.736112 -34.8345 -0.736068 25.1736 GPRESSAVG: 3783200 -46.35 -58.1759 -33.8129 -58.5063 12.617 -2.29776 -37.7905 2.48132 24.3317 TIMING: 3783200 CPU: 11335.9, 0.00305545/step Wall: 11335.9, 0.00305545/step, 1.03274 hours remaining, 206.773438 MB of memory in use. ENERGY: 3783200 774.2455 2077.4318 1979.3749 116.5899 -205838.0549 17628.3212 0.0000 0.0000 34440.0353 -148822.0564 300.7734 -183262.0917 -148723.6516 300.2899 -174.7303 -144.8833 558745.8163 -3.1148 -3.1337 PRESSURE: 3783400 -176.124 -108.124 10.8495 -108.124 -219.001 -97.3592 10.8495 -97.3606 -351.875 GPRESSURE: 3783400 -173.392 -111.609 31.894 -60.877 -220.996 -164.996 -45.8452 -102.843 -278.857 PRESSAVG: 3783400 1.26338 12.3679 -1.61536 12.3679 -5.79025 28.0509 -1.61551 28.051 16.0625 GPRESSAVG: 3783400 1.19144 12.2734 -2.29758 11.8498 -6.03562 27.7135 -2.07729 27.3228 16.2424 TIMING: 3783400 CPU: 11336.5, 0.00305668/step Wall: 11336.5, 0.00305668/step, 1.03299 hours remaining, 206.773438 MB of memory in use. ENERGY: 3783400 736.1164 2111.7201 1970.4444 113.3082 -205575.8685 17420.0385 0.0000 0.0000 34378.0771 -148846.1638 300.2323 -183224.2409 -148752.5627 300.5259 -248.9999 -224.4153 558912.5114 3.8452 3.7994 PRESSURE: 3783600 92.7916 63.8088 -86.8536 63.8097 54.83 77.08 -86.8538 77.0805 63.92 GPRESSURE: 3783600 136.586 88.285 -94.5089 4.99443 98.5209 159.441 -64.6211 95.0481 79.1533 PRESSAVG: 3783600 -57.3627 9.37897 9.06266 9.37894 4.68098 -18.9633 9.06266 -18.9633 45.6049 GPRESSAVG: 3783600 -57.1971 9.74204 8.12097 11.0844 3.98969 -19.3015 9.63721 -18.4901 46.0086 TIMING: 3783600 CPU: 11337.1, 0.0030451/step Wall: 11337.1, 0.0030451/step, 1.02891 hours remaining, 206.773438 MB of memory in use. ENERGY: 3783600 782.6733 2135.4948 1927.1677 121.6156 -206025.4386 17853.6777 0.0000 0.0000 34329.3326 -148875.4770 299.8066 -183204.8095 -148774.0054 300.6387 70.5139 104.7535 557404.2717 -2.3590 -2.3996 PRESSURE: 3783800 87.8814 73.7718 43.8837 73.7718 282.893 -163.974 43.8831 -163.974 -107.475 GPRESSURE: 3783800 156.622 104.703 37.7548 75.1098 352.525 -158.293 -20.4167 -94.5559 -160.309 PRESSAVG: 3783800 -16.7345 52.7638 47.1409 52.7639 52.044 -11.1273 47.1409 -11.1273 -39.9082 GPRESSAVG: 3783800 -17.4777 51.6593 47.2961 53.4845 52.3644 -10.7542 46.1362 -10.6749 -39.6346 TIMING: 3783800 CPU: 11337.7, 0.00304072/step Wall: 11337.7, 0.00304072/step, 1.02726 hours remaining, 206.773438 MB of memory in use. ENERGY: 3783800 745.6957 2152.0024 1913.6388 105.9847 -206016.4410 17829.9335 0.0000 0.0000 34483.9939 -148785.1920 301.1573 -183269.1859 -148691.4603 300.0783 87.7665 116.2796 558148.2266 -1.5329 -1.5827 PRESSURE: 3784000 -60.1695 -38.2921 -32.8248 -38.2914 -375.97 65.9812 -32.8254 65.9828 10.549 GPRESSURE: 3784000 -52.9767 -30.5357 59.2335 -37.2838 -277.838 23.739 -63.9693 130.539 5.94271 PRESSAVG: 3784000 6.56088 35.0705 16.8871 35.0705 6.59467 6.59717 16.8871 6.59712 -6.72328 GPRESSAVG: 3784000 8.35682 37.1108 18.2487 33.7915 6.4209 6.82173 16.432 4.39293 -8.28162 TIMING: 3784000 CPU: 11338.3, 0.00304729/step Wall: 11338.3, 0.00304729/step, 1.02931 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: 3784000 781.7753 2067.9736 1925.6338 124.0239 -205910.7893 17627.3036 0.0000 0.0000 34497.1239 -148886.9552 301.2720 -183384.0791 -148782.1582 299.2707 -141.8634 -108.2906 559638.8346 2.1441 2.1654 PRESSURE: 3784200 -276.64 -164.892 -102.835 -164.893 -226.703 85.0494 -102.835 85.0492 -243.683 GPRESSURE: 3784200 -276.224 -235.874 -130.455 -134.976 -167.818 69.8347 -94.6919 69.2403 -196.021 PRESSAVG: 3784200 -18.1937 -7.81515 -18.8194 -7.81512 18.9398 -0.391775 -18.8194 -0.391596 1.6316 GPRESSAVG: 3784200 -20.1295 -9.29791 -20.5592 -4.7699 19.0418 0.588588 -16.0292 -0.0962947 3.71512 TIMING: 3784200 CPU: 11338.9, 0.00301605/step Wall: 11338.9, 0.00301605/step, 1.01859 hours remaining, 206.773438 MB of memory in use. ENERGY: 3784200 801.2304 2040.4507 1926.0135 105.1682 -205373.2108 17364.3023 0.0000 0.0000 34357.0481 -148778.9976 300.0486 -183136.0456 -148672.4721 300.6159 -249.0084 -213.3541 559519.7829 0.7926 0.8758 LDB: ============= START OF LOAD BALANCING ============== 11342.4 LDB: ============== END OF LOAD BALANCING =============== 11342.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11342.4 LDB: ============= START OF LOAD BALANCING ============== 11342.7 LDB: Largest compute 4820 load 0.024205 is 20.5% of average load 0.118137 LDB: Average compute 0.001717 is 1.5% of average load 0.118137 LDB: TIME 11342.7 LOAD: AVG 0.118137 MAX 0.221345 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.352 MB LDB: TIME 11342.7 LOAD: AVG 0.118137 MAX 0.221345 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.555 MB LDB: TIME 11342.7 LOAD: AVG 0.118137 MAX 0.221345 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11342.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11342.7 PRESSURE: 3784400 -83.2582 125.13 24.9294 125.128 170.317 6.09298 24.9289 6.09254 29.7266 GPRESSURE: 3784400 -54.4077 -20.681 31.9747 112.742 208.524 25.3973 94.7932 -25.1073 76.8567 PRESSAVG: 3784400 -35.8964 -35.315 -11.1471 -35.3151 59.1707 -7.50102 -11.147 -7.50112 -25.3014 GPRESSAVG: 3784400 -34.9093 -34.2126 -11.4133 -39.4114 59.1965 -9.3831 -11.8288 -6.55628 -26.6369 TIMING: 3784400 CPU: 11339.6, 0.00311627/step Wall: 11339.6, 0.00311627/step, 1.05226 hours remaining, 206.722656 MB of memory in use. ENERGY: 3784400 747.0647 2085.5937 1941.7362 116.1312 -205789.8339 17684.5540 0.0000 0.0000 34357.1037 -148857.6504 300.0491 -183214.7540 -148757.1572 300.0959 38.9286 76.9910 558548.7559 -0.6757 -0.7832 PRESSURE: 3784600 -96.2657 44.2364 -78.0211 44.2369 24.049 83.6102 -78.0227 83.6097 -149.204 GPRESSURE: 3784600 -129.774 59.6645 -32.0793 59.3312 125.035 117.56 -125.323 98.0506 -108.756 PRESSAVG: 3784600 33.4867 -5.17871 7.90254 -5.17875 -70.975 16.1624 7.90263 16.1626 74.2388 GPRESSAVG: 3784600 32.0993 -6.18942 7.48895 -2.66061 -71.1159 15.9558 7.12751 15.9286 75.2805 TIMING: 3784600 CPU: 11340.2, 0.00303356/step Wall: 11340.2, 0.00303356/step, 1.02416 hours remaining, 206.722656 MB of memory in use. ENERGY: 3784600 732.2496 2084.9736 1957.8879 115.8471 -205614.8757 17550.6652 0.0000 0.0000 34319.6367 -148853.6156 299.7219 -183173.2524 -148752.7526 300.2925 -73.8069 -37.8318 558931.8041 12.2502 12.0880 PRESSURE: 3784800 38.4244 -45.3238 7.5488 -45.3228 -418.318 104.431 7.54826 104.43 -413.642 GPRESSURE: 3784800 77.1702 -67.4388 61.8236 -65.9514 -375.855 88.4563 -42.0573 131.303 -385.027 PRESSAVG: 3784800 17.993 13.8049 2.9098 13.8049 -35.639 45.6242 2.9098 45.6242 -10.1094 GPRESSAVG: 3784800 18.5468 13.7943 3.99179 12.7909 -35.3295 45.955 3.14711 45.3957 -10.777 TIMING: 3784800 CPU: 11340.8, 0.00304684/step Wall: 11340.8, 0.00304684/step, 1.02848 hours remaining, 206.722656 MB of memory in use. ENERGY: 3784800 783.9136 2090.7618 1948.7870 107.9931 -205515.7223 17569.9566 0.0000 0.0000 34264.3343 -148749.9759 299.2390 -183014.3102 -148656.9612 300.2332 -264.5119 -227.9041 559130.3470 -9.2518 -9.1866 PRESSURE: 3785000 34.4171 12.1833 -129.084 12.183 11.7565 -266.852 -129.085 -266.852 0.679414 GPRESSURE: 3785000 29.9163 -50.0479 -100.379 -57.2596 52.17 -217.466 -46.0606 -187.933 66.5023 PRESSAVG: 3785000 -0.452114 -21.8498 -19.184 -21.8497 25.3354 6.03868 -19.184 6.03875 -35.1752 GPRESSAVG: 3785000 -0.432341 -21.2046 -18.2494 -21.8859 25.0625 5.64965 -20.4937 5.3156 -34.7687 TIMING: 3785000 CPU: 11341.4, 0.00304458/step Wall: 11341.4, 0.00304458/step, 1.02755 hours remaining, 206.722656 MB of memory in use. ENERGY: 3785000 742.5701 2134.6974 1947.6384 110.1032 -206240.2813 17930.9848 0.0000 0.0000 34492.8573 -148881.4300 301.2347 -183374.2872 -148780.6813 300.9346 15.6177 49.5295 557337.4612 -3.4306 -3.3795 PRESSURE: 3785200 -136.403 24.6576 -37.6482 24.6571 -199.64 1.29791 -37.6475 1.29784 -87.3364 GPRESSURE: 3785200 -69.4438 1.63896 -19.7234 -23.6105 -196.048 73.9377 -37.251 -42.2836 -59.4059 PRESSAVG: 3785200 38.0847 -26.0129 -11.2566 -26.0129 28.1181 -68.5279 -11.2566 -68.5281 -44.6884 GPRESSAVG: 3785200 37.9188 -24.95 -12.0996 -27.2585 28.4331 -66.6503 -10.3253 -67.4065 -44.6238 TIMING: 3785200 CPU: 11342, 0.00305506/step Wall: 11342, 0.00305506/step, 1.03091 hours remaining, 206.722656 MB of memory in use. ENERGY: 3785200 732.2978 2081.9673 1942.5639 104.1554 -206118.4541 17794.3656 0.0000 0.0000 34447.9372 -149015.1669 300.8424 -183463.1041 -148905.9845 300.0224 -141.1264 -108.2991 558706.2149 7.1714 7.2427 PRESSURE: 3785400 -41.4164 12.3698 117.467 12.3707 -42.2429 10.4537 117.467 10.4528 -112.186 GPRESSURE: 3785400 -7.84762 -34.5412 68.6991 6.82122 0.726669 24.0983 62.2234 -40.7881 -96.7259 PRESSAVG: 3785400 45.3164 22.8393 -3.16625 22.8394 -36.3044 -12.2839 -3.16621 -12.284 -37.5162 GPRESSAVG: 3785400 45.0657 19.9386 -2.10702 23.8472 -35.7673 -13.9326 -5.76965 -11.0965 -38.5171 TIMING: 3785400 CPU: 11342.6, 0.00306201/step Wall: 11342.6, 0.00306201/step, 1.03309 hours remaining, 206.722656 MB of memory in use. ENERGY: 3785400 735.8486 2121.5715 1967.5894 102.0595 -205571.0739 17607.4423 0.0000 0.0000 34080.4194 -148956.1432 297.6328 -183036.5626 -148863.3604 299.8517 -65.2819 -34.6156 558101.2841 -9.5014 -9.7395 PRESSURE: 3785600 189.179 -106.248 -40.9611 -106.248 -171.844 -2.01963 -40.9606 -2.01941 39.1979 GPRESSURE: 3785600 196.565 -150.815 20.2717 -48.8078 -113.196 -23.1468 -19.9619 -18.2228 75.6167 PRESSAVG: 3785600 57.8509 -12.6568 -18.119 -12.6568 -36.506 -64.9799 -18.119 -64.9799 10.2508 GPRESSAVG: 3785600 57.7421 -10.5733 -19.2046 -12.5082 -37.2751 -64.8758 -15.1252 -64.7839 10.85 TIMING: 3785600 CPU: 11343.2, 0.00305928/step Wall: 11343.2, 0.00305928/step, 1.032 hours remaining, 206.722656 MB of memory in use. ENERGY: 3785600 694.3775 1990.4897 1926.9958 106.7637 -206015.9013 17807.9841 0.0000 0.0000 34410.5113 -149078.7792 300.5156 -183489.2904 -148977.8074 299.0241 18.8442 52.9952 557942.2993 10.5319 10.4390 PRESSURE: 3785800 237.336 -200.259 203.898 -200.26 -85.2728 162.667 203.899 162.667 128.072 GPRESSURE: 3785800 202.59 -189.397 234.9 -166.906 -41.9258 243.463 145.788 126.837 206.666 PRESSAVG: 3785800 55.484 44.651 37.9461 44.651 4.22716 -18.2019 37.9461 -18.2019 -46.1731 GPRESSAVG: 3785800 55.3823 45.6186 38.7174 45.0005 4.38053 -17.4339 36.5503 -21.5431 -45.8676 TIMING: 3785800 CPU: 11343.8, 0.00303813/step Wall: 11343.8, 0.00303813/step, 1.02469 hours remaining, 206.722656 MB of memory in use. ENERGY: 3785800 732.1582 2127.7221 1940.9734 123.7247 -206185.3215 17971.0959 0.0000 0.0000 34208.3044 -149081.3429 298.7496 -183289.6472 -148985.5445 299.3363 93.3785 122.4434 558964.8975 4.5127 4.6317 PRESSURE: 3786000 258.563 -13.88 30.2053 -13.8794 -121.981 -113.093 30.2065 -113.092 309.057 GPRESSURE: 3786000 237.958 40.0089 116.212 -17.5953 -57.6934 -31.998 -58.5613 -114.847 368.731 PRESSAVG: 3786000 85.8431 -1.76341 -21.3027 -1.76345 -88.1001 -19.7552 -21.3027 -19.7553 6.21108 GPRESSAVG: 3786000 86.1323 -2.9865 -22.8022 -1.40522 -88.068 -18.8289 -19.7154 -19.5188 5.82665 TIMING: 3786000 CPU: 11344.4, 0.00304695/step Wall: 11344.4, 0.00304695/step, 1.0275 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: 3786000 701.2826 2065.8849 1949.9275 117.8260 -206314.5380 18029.9323 0.0000 0.0000 34458.6103 -148991.0745 300.9356 -183449.6848 -148897.4260 299.3001 148.5463 182.9987 559158.4626 1.3180 1.2970 PRESSURE: 3786200 -80.5824 -159.071 -99.745 -159.07 12.7476 106.843 -99.7459 106.843 -440.318 GPRESSURE: 3786200 -71.4431 -108.926 -119.744 -101.606 -2.55173 210.401 -157.459 80.9088 -343.521 PRESSAVG: 3786200 -39.4723 3.50685 -55.2619 3.50686 -11.1528 37.9039 -55.2619 37.9039 15.1991 GPRESSAVG: 3786200 -39.2341 5.0253 -53.9141 4.29894 -12.1399 35.7151 -56.8868 39.4631 15.7203 TIMING: 3786200 CPU: 11345.1, 0.00302393/step Wall: 11345.1, 0.00302393/step, 1.01957 hours remaining, 206.722656 MB of memory in use. ENERGY: 3786200 773.9050 2057.9242 1959.1718 114.2379 -205887.0141 17746.2876 0.0000 0.0000 34343.7365 -148891.7511 299.9324 -183235.4876 -148796.9102 299.5725 -169.3843 -139.1719 560092.3957 -11.8087 -11.8845 PRESSURE: 3786400 47.2018 -42.2016 -68.4229 -42.2005 29.5372 -119.705 -68.4231 -119.705 154.782 GPRESSURE: 3786400 41.2565 19.2624 -15.7429 14.0654 77.9485 -175.808 -111.32 -145.146 221.501 PRESSAVG: 3786400 -28.2376 8.92302 -12.1156 8.92307 13.7773 65.5279 -12.1157 65.5279 36.3588 GPRESSAVG: 3786400 -27.6208 6.40083 -13.7868 8.39586 13.8429 65.9255 -12.2731 64.892 36.0864 TIMING: 3786400 CPU: 11345.7, 0.00302287/step Wall: 11345.7, 0.00302287/step, 1.01904 hours remaining, 206.722656 MB of memory in use. ENERGY: 3786400 722.9794 2051.1395 1937.1154 101.1638 -205971.4146 17995.3339 0.0000 0.0000 34192.5595 -148971.1230 298.6121 -183163.6825 -148880.8278 299.5941 77.1736 113.5686 559885.7876 7.2995 7.4361 PRESSURE: 3786600 75.089 70.6168 22.0144 70.6175 -82.57 31.0999 22.0147 31.1 -325.352 GPRESSURE: 3786600 97.1931 79.7026 -83.1291 89.4051 -102.665 21.7979 -33.9386 60.3461 -219.017 PRESSAVG: 3786600 -15.0846 15.3575 -8.77147 15.3575 -79.0604 -31.3397 -8.77141 -31.3397 42.3366 GPRESSAVG: 3786600 -15.1822 16.3209 -7.30306 14.2158 -78.7383 -30.3949 -8.21012 -32.5921 41.755 TIMING: 3786600 CPU: 11346.3, 0.0030256/step Wall: 11346.3, 0.0030256/step, 1.01979 hours remaining, 206.722656 MB of memory in use. ENERGY: 3786600 720.7062 2059.6263 2004.2691 99.9192 -205775.5981 17739.3102 0.0000 0.0000 34185.8615 -148965.9055 298.5536 -183151.7670 -148862.7649 299.4733 -110.9444 -74.8296 560187.5093 -17.2695 -17.3885 PRESSURE: 3786800 8.92253 85.6782 -195.2 85.6785 -3.44896 -193.458 -195.2 -193.457 81.8689 GPRESSURE: 3786800 45.9912 86.2154 -142.466 121.691 -12.4632 -307.968 -158.201 -137.587 139.755 PRESSAVG: 3786800 -9.08265 48.9695 -5.94991 48.9694 -21.7966 14.6994 -5.94986 14.6993 37.1125 GPRESSAVG: 3786800 -8.4246 47.326 -5.60149 50.5337 -21.4691 13.8941 -5.92599 18.108 36.4017 TIMING: 3786800 CPU: 11346.9, 0.0030177/step Wall: 11346.9, 0.0030177/step, 1.01697 hours remaining, 206.722656 MB of memory in use. ENERGY: 3786800 740.0333 2116.1807 1959.9920 124.1697 -206058.7664 17793.4487 0.0000 0.0000 34330.9770 -148993.9650 299.8210 -183324.9420 -148903.8955 300.3296 29.1141 57.7609 557523.8019 2.0778 2.1693 PRESSURE: 3787000 4.55801 2.31215 25.2064 2.31157 -123.55 -194.488 25.2048 -194.487 -43.4249 GPRESSURE: 3787000 27.4381 -3.06111 -9.77475 -49.3809 -52.4237 -152.448 35.9699 -220.451 -33.6642 PRESSAVG: 3787000 -20.1957 7.0294 17.8815 7.02933 -7.45101 -60.7594 17.8816 -60.7593 12.0424 GPRESSAVG: 3787000 -19.9229 6.22375 18.794 7.54066 -8.04989 -60.6028 17.5266 -63.4519 12.0752 TIMING: 3787000 CPU: 11347.5, 0.00298877/step Wall: 11347.5, 0.00298877/step, 1.00705 hours remaining, 206.722656 MB of memory in use. ENERGY: 3787000 758.2736 2115.4274 1945.4674 103.6681 -206137.3585 17733.2913 0.0000 0.0000 34482.9072 -148998.3235 301.1478 -183481.2307 -148901.5235 300.0175 -54.1391 -19.5499 557622.4951 -5.2014 -5.2992 PRESSURE: 3787200 287.743 54.8722 -37.4293 54.8724 46.783 281.176 -37.4302 281.177 182.106 GPRESSURE: 3787200 362.043 46.471 35.8031 66.8643 40.2245 127.286 48.6458 213.146 206.276 PRESSAVG: 3787200 -14.0981 28.1115 56.9104 28.1115 4.50283 4.94611 56.9104 4.9461 42.3128 GPRESSAVG: 3787200 -15.3139 30.0157 55.3338 27.7531 5.31956 3.73787 56.4161 6.14291 42.6026 TIMING: 3787200 CPU: 11348.1, 0.00302656/step Wall: 11348.1, 0.00302656/step, 1.01961 hours remaining, 206.722656 MB of memory in use. ENERGY: 3787200 728.8749 2089.7965 1974.7062 131.8046 -205840.5597 17806.7747 0.0000 0.0000 34305.9182 -148802.6846 299.6021 -183108.6028 -148707.4115 300.1786 172.2109 202.8478 557438.0354 10.9058 10.8694 PRESSURE: 3787400 -19.3812 143.923 143.931 143.922 -80.1611 184.12 143.932 184.121 57.1371 GPRESSURE: 3787400 14.9461 166.322 99.3277 210.883 -38.099 149.412 129.514 285.081 63.9823 PRESSAVG: 3787400 38.8252 -11.783 -47.9404 -11.783 -22.8218 3.17953 -47.9403 3.17949 5.84191 GPRESSAVG: 3787400 38.9293 -11.0254 -46.6071 -13.2751 -24.3369 5.43897 -48.7043 0.805882 7.1938 TIMING: 3787400 CPU: 11348.7, 0.00304949/step Wall: 11348.7, 0.00304949/step, 1.02717 hours remaining, 206.722656 MB of memory in use. ENERGY: 3787400 757.0290 2135.4476 1953.3771 130.3923 -205802.8750 17821.7625 0.0000 0.0000 34372.6661 -148632.2004 300.1850 -183004.8665 -148534.1060 300.8410 -14.1351 13.6098 558479.9670 7.2817 7.2621 PRESSURE: 3787600 384.667 111.241 9.23812 111.24 422.106 73.7934 9.23806 73.7943 247.489 GPRESSURE: 3787600 376.576 166.202 -105.997 77.5975 464.739 109.388 82.2958 64.5992 317.641 PRESSAVG: 3787600 3.1583 -26.7588 -27.6902 -26.7589 41.6847 19.7954 -27.6901 19.7954 -25.7309 GPRESSAVG: 3787600 3.48712 -27.9629 -29.0065 -26.1597 42.871 19.5735 -26.124 19.5415 -27.8747 TIMING: 3787600 CPU: 11349.3, 0.00300792/step Wall: 11349.3, 0.00300792/step, 1.013 hours remaining, 206.722656 MB of memory in use. ENERGY: 3787600 740.5045 2042.1907 1928.6081 94.5006 -206103.3815 18206.0412 0.0000 0.0000 34358.8359 -148732.7004 300.0643 -183091.5363 -148641.5855 300.7360 351.4208 386.3185 557179.0187 6.3707 6.1611 PRESSURE: 3787800 -84.579 40.7616 -8.18485 40.7615 43.3339 -35.7448 -8.18382 -35.7457 -27.2032 GPRESSURE: 3787800 -40.0141 74.4008 -35.5312 -153.197 77.0498 6.65466 -25.3946 -104.76 -8.72242 PRESSAVG: 3787800 53.9156 25.1088 -14.8239 25.1088 76.4271 45.0276 -14.8238 45.0276 -48.8127 GPRESSAVG: 3787800 54.1134 25.453 -14.1129 22.9092 75.6343 45.1163 -17.3436 45.8631 -47.8984 TIMING: 3787800 CPU: 11349.9, 0.00302726/step Wall: 11349.9, 0.00302726/step, 1.01935 hours remaining, 206.722656 MB of memory in use. ENERGY: 3787800 753.6550 2103.4040 1951.0620 118.1234 -205736.1570 17765.6896 0.0000 0.0000 34137.2994 -148906.9236 298.1295 -183044.2231 -148810.5104 300.1410 -22.8161 9.4378 558106.4064 27.1767 27.2831 PRESSURE: 3788000 28.8297 118.236 57.028 118.235 18.2521 12.2892 57.0285 12.2886 110.088 GPRESSURE: 3788000 67.5658 -8.99086 78.9766 227.026 38.2899 17.1705 34.996 41.4488 158.822 PRESSAVG: 3788000 -17.3926 14.1468 -22.939 14.1468 46.4648 -20.4435 -22.939 -20.4437 -56.2618 GPRESSAVG: 3788000 -18.39 13.7092 -21.5903 15.9239 47.6069 -21.8765 -22.9693 -17.5537 -56.327 TIMING: 3788000 CPU: 11350.5, 0.00302869/step Wall: 11350.5, 0.00302869/step, 1.01966 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: 3788000 789.9734 2062.9543 1964.4985 109.7548 -206169.2370 17957.6914 0.0000 0.0000 34298.1036 -148986.2612 299.5339 -183284.3647 -148897.2524 299.7624 52.3901 88.2258 557588.1895 -9.0632 -9.0367 PRESSURE: 3788200 -223.54 -77.0726 -4.54346 -77.0735 -154.214 -185.069 -4.54381 -185.07 -104.513 GPRESSURE: 3788200 -154.595 -143.675 126.005 -64.8739 -152.86 -135.442 -61.1109 -241.089 -80.4809 PRESSAVG: 3788200 65.2035 5.26052 -14.26 5.2604 -16.889 8.34487 -14.2599 8.34482 -41.6941 GPRESSAVG: 3788200 64.9548 4.96815 -14.3217 5.57332 -17.0968 9.24282 -14.5684 6.6593 -41.4934 TIMING: 3788200 CPU: 11351.1, 0.00302205/step Wall: 11351.1, 0.00302205/step, 1.01726 hours remaining, 206.722656 MB of memory in use. ENERGY: 3788200 789.6308 2123.6566 1952.9033 97.4954 -205598.2505 17651.4392 0.0000 0.0000 34048.6145 -148934.5107 297.3550 -182983.1252 -148842.5734 299.9730 -160.7558 -129.3120 558355.1067 2.2068 2.1216 LDB: ============= START OF LOAD BALANCING ============== 11354.5 LDB: ============== END OF LOAD BALANCING =============== 11354.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11354.5 LDB: ============= START OF LOAD BALANCING ============== 11354.8 LDB: Largest compute 4820 load 0.023349 is 19.8% of average load 0.118146 LDB: Average compute 0.001725 is 1.5% of average load 0.118146 LDB: TIME 11354.8 LOAD: AVG 0.118146 MAX 0.217053 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.691 MB LDB: TIME 11354.8 LOAD: AVG 0.118146 MAX 0.217053 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.695 MB LDB: TIME 11354.8 LOAD: AVG 0.118146 MAX 0.217053 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.695 MB LDB: ============== END OF LOAD BALANCING =============== 11354.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11354.8 PRESSURE: 3788400 2.67553 21.8849 -137.724 21.884 -157.402 -12.2638 -137.722 -12.265 -17.4835 GPRESSURE: 3788400 4.99682 -11.3685 -122.848 42.3 -133.651 -40.5618 -128.243 37.4208 66.4253 PRESSAVG: 3788400 75.4085 43.4767 -26.4613 43.4768 -55.9995 48.2607 -26.4613 48.2607 -47.5424 GPRESSAVG: 3788400 76.1723 44.2505 -27.1483 43.5262 -54.7104 48.3445 -24.4429 47.9552 -49.2846 TIMING: 3788400 CPU: 11351.7, 0.00308071/step Wall: 11351.7, 0.00308071/step, 1.03683 hours remaining, 206.472656 MB of memory in use. ENERGY: 3788400 740.5981 2191.0245 1941.0766 120.4934 -205779.0616 17679.3121 0.0000 0.0000 34316.2693 -148790.2876 299.6925 -183106.5569 -148695.6682 300.4981 -57.4032 -20.7430 558048.8253 -9.3778 -9.2742 PRESSURE: 3788600 -125.782 176.24 -55.8086 176.242 -28.5248 -115.73 -55.8099 -115.729 -37.9767 GPRESSURE: 3788600 -93.2475 160.118 -151.568 128.96 70.7376 -104.887 -115.084 -96.7545 -66.0798 PRESSAVG: 3788600 29.8329 6.8697 -80.7168 6.86963 29.4368 45.5917 -80.7168 45.5918 -8.94185 GPRESSAVG: 3788600 29.7194 5.3062 -79.8488 8.27387 29.4696 45.8188 -82.1282 46.6197 -8.4457 TIMING: 3788600 CPU: 11352.3, 0.00303171/step Wall: 11352.3, 0.00303171/step, 1.02017 hours remaining, 206.472656 MB of memory in use. ENERGY: 3788600 759.4081 2112.6223 1952.9618 110.1767 -205870.7604 17595.5202 0.0000 0.0000 34433.6229 -148906.4484 300.7174 -183340.0713 -148807.9644 300.1233 -64.0944 -29.5299 557138.5160 16.7759 16.9144 PRESSURE: 3788800 -140.079 86.1032 210.671 86.1015 6.81958 140.518 210.671 140.518 -291.324 GPRESSURE: 3788800 -143.67 101.711 150.397 120.396 77.5775 81.7113 170.99 176.878 -273.509 PRESSAVG: 3788800 45.4948 55.6914 20.2185 55.6914 25.9573 -17.7076 20.2185 -17.7077 -59.1047 GPRESSAVG: 3788800 45.233 57.2485 17.7526 54.5546 26.5052 -17.5866 20.5866 -17.7704 -58.8523 TIMING: 3788800 CPU: 11352.9, 0.00303992/step Wall: 11352.9, 0.00303992/step, 1.02276 hours remaining, 206.472656 MB of memory in use. ENERGY: 3788800 765.7925 2114.1248 1931.0164 120.1395 -205577.2019 17611.2385 0.0000 0.0000 34151.3248 -148883.5653 298.2520 -183034.8901 -148801.9185 300.1698 -141.5275 -113.2004 560205.4148 4.1158 4.2953 PRESSURE: 3789000 -65.4589 36.5597 -71.9469 36.5606 -349.106 126.489 -71.9465 126.488 -353.747 GPRESSURE: 3789000 -11.38 -19.3809 6.12382 26.6528 -326.508 68.1226 -100.643 158.451 -331.097 PRESSAVG: 3789000 67.8267 -20.8671 -15.2915 -20.8671 2.62868 46.8387 -15.2915 46.8386 -78.1134 GPRESSAVG: 3789000 67.2977 -21.186 -14.2597 -20.686 1.4878 47.9597 -15.067 44.7849 -76.7064 TIMING: 3789000 CPU: 11353.5, 0.00302523/step Wall: 11353.5, 0.00302523/step, 1.01765 hours remaining, 206.472656 MB of memory in use. ENERGY: 3789000 744.4988 2130.2847 1934.5867 97.0567 -205467.7090 17401.6850 0.0000 0.0000 34347.4603 -148812.1368 299.9649 -183159.5971 -148717.4601 299.8750 -256.1042 -222.9953 558929.3954 -2.5527 -2.6403 PRESSURE: 3789200 -108.553 -78.5977 18.797 -78.5977 83.1886 -53.6368 18.7976 -53.6351 -91.8631 GPRESSURE: 3789200 -20.3412 -10.5814 26.1744 -121.565 74.7998 -68.7508 -53.0686 -36.8179 -68.4907 PRESSAVG: 3789200 61.1894 17.4323 -34.1278 17.4324 -29.7493 43.0942 -34.1277 43.0942 -19.6866 GPRESSAVG: 3789200 61.2567 15.1813 -33.967 19.5001 -29.5235 42.0897 -33.5848 44.8584 -19.7929 TIMING: 3789200 CPU: 11354.1, 0.00302388/step Wall: 11354.1, 0.00302388/step, 1.01703 hours remaining, 206.472656 MB of memory in use. ENERGY: 3789200 786.5540 2051.9469 1945.1436 118.0541 -205958.5596 17751.7711 0.0000 0.0000 34479.4847 -148825.6051 301.1179 -183305.0898 -148735.8218 300.7175 -39.0758 -4.6774 556643.8307 3.9178 3.9801 PRESSURE: 3789400 16.6718 127.887 50.0397 127.886 111.82 -29.4717 50.0399 -29.4733 100.286 GPRESSURE: 3789400 71.3674 154.63 77.4276 125.182 106.865 23.3848 -58.6906 -14.326 157.511 PRESSAVG: 3789400 7.4073 -34.6505 -52.2612 -34.6506 27.9643 29.7933 -52.2612 29.7931 -18.5287 GPRESSAVG: 3789400 7.76869 -32.384 -52.4917 -38.4375 27.5972 30.1495 -53.178 28.8958 -18.4008 TIMING: 3789400 CPU: 11354.7, 0.00302356/step Wall: 11354.7, 0.00302356/step, 1.01676 hours remaining, 206.472656 MB of memory in use. ENERGY: 3789400 700.7009 2092.1542 1938.6226 120.4741 -206279.5832 17821.9418 0.0000 0.0000 34676.6494 -148929.0402 302.8398 -183605.6897 -148827.3030 300.5203 76.2592 111.9142 556829.5204 5.6143 5.6550 PRESSURE: 3789600 213.142 -72.6516 -19.4617 -72.6528 145.724 183.538 -19.4615 183.539 -207.52 GPRESSURE: 3789600 260.155 -4.27138 -10.1568 -64.2204 199.101 139.179 -61.7749 229.813 -226.933 PRESSAVG: 3789600 0.0793209 -10.8787 24.4257 -10.8787 -15.7728 14.6144 24.4257 14.6144 -22.0854 GPRESSAVG: 3789600 -0.483354 -11.322 24.3653 -8.84375 -14.8149 14.2252 26.4341 15.8654 -22.4698 TIMING: 3789600 CPU: 11355.3, 0.00304462/step Wall: 11355.3, 0.00304462/step, 1.02367 hours remaining, 206.472656 MB of memory in use. ENERGY: 3789600 724.9935 2071.2610 1931.9443 116.5708 -205711.3108 17502.7303 0.0000 0.0000 34386.0382 -148977.7727 300.3018 -183363.8109 -148881.9681 300.3883 50.4487 77.4410 554762.5711 -12.5929 -12.5894 PRESSURE: 3789800 72.1996 28.36 60.3339 28.3594 74.6045 20.3405 60.3334 20.3389 193.51 GPRESSURE: 3789800 62.0433 8.7669 87.7406 29.7426 112.708 9.94951 8.38777 -4.54549 266.163 PRESSAVG: 3789800 8.57513 -66.9243 -16.0824 -66.9243 13.4856 57.1514 -16.0823 57.1514 -12.9726 GPRESSAVG: 3789800 9.10491 -66.7636 -15.2997 -67.2572 12.6035 55.5442 -17.8487 57.2807 -12.9847 TIMING: 3789800 CPU: 11356, 0.00306965/step Wall: 11356, 0.00306965/step, 1.03191 hours remaining, 206.472656 MB of memory in use. ENERGY: 3789800 747.0640 2126.1814 1941.5084 116.5167 -206589.3321 18047.9491 0.0000 0.0000 34408.6292 -149201.4832 300.4991 -183610.1124 -149102.9963 300.4657 113.4381 146.9715 556338.5886 3.0294 2.9079 PRESSURE: 3790000 114.08 -75.5825 52.0835 -75.5816 84.0333 18.6845 52.0847 18.685 -106.896 GPRESSURE: 3790000 143.599 -76.2781 88.0174 -42.8276 87.2492 -33.5552 -0.583979 59.2654 -47.8859 PRESSAVG: 3790000 -5.0299 -21.9745 39.0012 -21.9746 80.4122 42.1546 39.0012 42.1545 -22.9817 GPRESSAVG: 3790000 -5.53938 -20.6177 39.3436 -23.1954 81.7868 43.7749 39.2102 43.0909 -23.8972 TIMING: 3790000 CPU: 11356.6, 0.00305572/step Wall: 11356.6, 0.00305572/step, 1.02706 hours remaining, 206.472656 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: 3790000 732.1672 2127.0817 1945.7201 122.8017 -206205.3604 17790.0706 0.0000 0.0000 34360.7242 -149126.7949 300.0808 -183487.5191 -149026.8632 299.7427 30.4058 60.9873 556465.4660 17.4669 17.4501 PRESSURE: 3790200 -152.504 183.044 -29.9284 183.044 -136.515 71.9431 -29.9276 71.9443 10.0623 GPRESSURE: 3790200 -133.24 192.062 -15.6511 130.62 -44.7329 8.99361 -7.77822 54.6193 6.50466 PRESSAVG: 3790200 27.6213 28.9033 -11.6881 28.9033 -11.4618 11.6475 -11.6882 11.6477 13.8611 GPRESSAVG: 3790200 27.1741 27.094 -13.0124 31.391 -10.3433 10.4847 -11.4726 10.5423 13.7336 TIMING: 3790200 CPU: 11357.2, 0.00302014/step Wall: 11357.2, 0.00302014/step, 1.01494 hours remaining, 206.472656 MB of memory in use. ENERGY: 3790200 738.6651 2077.7752 1973.1017 104.1246 -205987.0912 17698.7593 0.0000 0.0000 34188.3841 -149206.2813 298.5757 -183394.6654 -149110.9580 299.2422 -92.9855 -57.1561 557992.6358 10.0069 10.1881 PRESSURE: 3790400 58.8009 39.2921 -168.423 39.2916 112.429 -165.647 -168.423 -165.648 81.8062 GPRESSURE: 3790400 98.2866 85.7837 -210.765 32.7251 126.256 -124.454 -160.549 -130.148 125.51 PRESSAVG: 3790400 3.39299 -24.0945 -31.9313 -24.0945 2.5752 7.1359 -31.9314 7.13586 -3.15745 GPRESSAVG: 3790400 4.05853 -24.5943 -30.454 -25.261 1.3981 8.08581 -30.8921 6.03494 -2.36483 TIMING: 3790400 CPU: 11357.8, 0.00301452/step Wall: 11357.8, 0.00301452/step, 1.01288 hours remaining, 206.472656 MB of memory in use. ENERGY: 3790400 730.2693 2093.1672 1953.4057 119.7105 -206351.2732 17891.0950 0.0000 0.0000 34268.5031 -149295.1223 299.2754 -183563.6254 -149196.2529 299.1340 84.3453 116.6842 556263.1157 0.9369 1.0306 PRESSURE: 3790600 -160.67 9.2331 68.0037 9.23214 -161.398 -6.47655 68.0032 -6.47808 123.71 GPRESSURE: 3790600 -119.535 0.769435 1.03245 51.2203 -110.088 -32.1482 48.6986 -34.7568 123.67 PRESSAVG: 3790600 -8.16777 104.242 -7.88744 104.242 -17.6562 -25.4818 -7.88757 -25.4817 36.8298 GPRESSAVG: 3790600 -8.10756 106.041 -8.69512 103.221 -17.5313 -25.3799 -8.90621 -24.4336 36.5436 TIMING: 3790600 CPU: 11358.4, 0.00304674/step Wall: 11358.4, 0.00304673/step, 1.02353 hours remaining, 206.472656 MB of memory in use. ENERGY: 3790600 735.5072 2094.3801 1964.5360 117.5980 -206024.7930 17741.4906 0.0000 0.0000 34166.0302 -149205.2510 298.3804 -183371.2812 -149107.9942 299.3197 -66.1193 -35.3178 557217.0873 3.6686 3.6349 PRESSURE: 3790800 187.231 -29.0409 181.605 -29.041 -225.97 2.91515 181.606 2.91647 21.3008 GPRESSURE: 3790800 212.831 40.7654 158.895 -77.5183 -164.764 -60.905 128.903 -40.2475 21.4894 PRESSAVG: 3790800 -32.6799 67.2294 -3.96795 67.2293 5.96103 -4.55578 -3.96796 -4.55575 29.8117 GPRESSAVG: 3790800 -32.8786 67.1921 -2.59983 67.0214 5.77174 -2.45695 -4.30871 -6.8083 29.8755 TIMING: 3790800 CPU: 11359, 0.00304609/step Wall: 11359, 0.00304609/step, 1.02315 hours remaining, 206.472656 MB of memory in use. ENERGY: 3790800 717.6064 2118.9363 1966.0789 115.3433 -205947.7411 17585.1819 0.0000 0.0000 34126.6846 -149317.9096 298.0368 -183444.5942 -149223.5783 299.3793 -5.8129 23.1855 556764.4531 1.0309 0.9229 PRESSURE: 3791000 -332.216 124.01 -128.62 124.011 23.4856 -6.15712 -128.62 -6.15663 8.98154 GPRESSURE: 3791000 -284.929 138.319 15.8387 150.613 75.9999 3.48417 -99.0092 -76.8121 8.4553 PRESSAVG: 3791000 -10.7788 -12.8042 -0.448914 -12.8042 -69.6407 66.5441 -0.448928 66.5442 95.2876 GPRESSAVG: 3791000 -10.7694 -15.6937 0.112547 -12.1216 -69.0067 64.1823 -0.124444 67.7508 94.8472 TIMING: 3791000 CPU: 11359.6, 0.00305534/step Wall: 11359.6, 0.00305534/step, 1.02609 hours remaining, 206.472656 MB of memory in use. ENERGY: 3791000 720.7956 2138.5543 1954.4458 120.4219 -205968.1634 17578.4482 0.0000 0.0000 34158.8874 -149296.6101 298.3181 -183455.4976 -149197.8652 298.8640 -99.9164 -66.8245 558949.9419 4.9561 5.0237 PRESSURE: 3791200 242.961 36.8598 135.288 36.8605 88.6095 -32.3093 135.288 -32.3095 274.797 GPRESSURE: 3791200 243.606 -31.666 185.959 72.5666 89.1815 -52.6478 140.482 42.5638 375.243 PRESSAVG: 3791200 -7.90093 3.33356 -5.28662 3.33354 30.6672 2.57013 -5.28671 2.57015 -41.3915 GPRESSAVG: 3791200 -7.766 6.36275 -7.49352 2.91998 30.2987 2.95075 -4.35483 2.31401 -40.8654 TIMING: 3791200 CPU: 11360.2, 0.00307113/step Wall: 11360.2, 0.00307113/step, 1.03122 hours remaining, 206.472656 MB of memory in use. ENERGY: 3791200 758.1376 2085.4907 1938.3283 111.5070 -206737.8336 18463.4511 0.0000 0.0000 34044.2433 -149336.6757 297.3168 -183380.9190 -149249.6272 298.5565 202.1227 236.0101 559785.7194 -6.2084 -6.1109 PRESSURE: 3791400 -129.969 -21.2213 -16.0471 -21.22 -303.479 66.6098 -16.0468 66.61 121.951 GPRESSURE: 3791400 -148.796 -59.5834 -55.7436 -10.456 -219.525 -5.62285 54.1122 112.458 159.812 PRESSAVG: 3791400 -7.34446 -8.75262 15.0311 -8.75262 -76.0948 -7.43127 15.0311 -7.43126 75.5961 GPRESSAVG: 3791400 -7.46444 -8.84096 16.3198 -8.50189 -76.1279 -9.43062 15.6083 -5.43156 75.8704 TIMING: 3791400 CPU: 11360.8, 0.00305975/step Wall: 11360.8, 0.00305975/step, 1.02723 hours remaining, 206.472656 MB of memory in use. ENERGY: 3791400 788.1825 2064.0081 1947.3660 100.3187 -206632.6089 18183.6041 0.0000 0.0000 34214.3021 -149334.8274 298.8020 -183549.1295 -149243.9924 298.8685 -103.8323 -69.5029 560314.7388 -2.6144 -2.5740 PRESSURE: 3791600 107.419 14.3482 -245.663 14.3484 -220.657 -29.817 -245.663 -29.818 -109.285 GPRESSURE: 3791600 131.907 55.9582 -183.425 11.2123 -196.761 -63.3437 -244.078 51.1084 -50.8344 PRESSAVG: 3791600 -7.46177 -27.0119 19.1038 -27.0119 -51.0955 4.59918 19.1037 4.59912 82.8389 GPRESSAVG: 3791600 -8.15549 -28.1851 18.78 -27.5227 -50.5701 6.22183 18.0564 3.07698 83.1021 TIMING: 3791600 CPU: 11361.4, 0.00303383/step Wall: 11361.4, 0.00303383/step, 1.01835 hours remaining, 206.472656 MB of memory in use. ENERGY: 3791600 768.0433 2069.8717 1951.1048 128.9407 -206449.8599 17914.3796 0.0000 0.0000 34272.0050 -149345.5149 299.3059 -183617.5198 -149253.6230 298.1860 -74.1743 -38.5626 558620.8524 8.0939 8.1255 PRESSURE: 3791800 -6.73782 146.979 76.9411 146.98 -221.545 123.205 76.9409 123.203 -66.5792 GPRESSURE: 3791800 -33.9576 89.6276 44.2472 136.246 -181.589 201.577 59.5967 72.6308 19.525 PRESSAVG: 3791800 41.9272 19.9115 -20.2026 19.9115 -84.1219 35.896 -20.2026 35.8961 33.1225 GPRESSAVG: 3791800 43.1581 21.1984 -21.715 20.5031 -85.0403 36.457 -19.4433 36.0247 32.6183 TIMING: 3791800 CPU: 11362.1, 0.00304259/step Wall: 11362.1, 0.00304259/step, 1.02113 hours remaining, 206.472656 MB of memory in use. ENERGY: 3791800 745.7035 2149.9687 1950.4073 113.5325 -206291.3822 17810.3281 0.0000 0.0000 34154.2784 -149367.1637 298.2778 -183521.4421 -149277.2991 298.6203 -98.2873 -65.3407 557732.8995 -3.0241 -3.0880 PRESSURE: 3792000 -196.197 -210.78 156.623 -210.781 -23.7049 118.89 156.623 118.889 -41.3953 GPRESSURE: 3792000 -135.971 -191.867 119.848 -193.161 -71.5035 89.3939 118.422 68.2207 42.0395 PRESSAVG: 3792000 -36.9255 29.0117 -17.8081 29.0117 -6.68278 10.9374 -17.8083 10.9374 67.9641 GPRESSAVG: 3792000 -37.5932 28.6852 -16.1351 30.5213 -5.68216 10.8187 -16.2866 11.3133 67.5185 TIMING: 3792000 CPU: 11362.7, 0.0030497/step Wall: 11362.7, 0.0030497/step, 1.02334 hours remaining, 206.472656 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: 3792000 776.6596 2028.3291 1929.7533 112.5189 -205894.2961 17638.1238 0.0000 0.0000 34091.0308 -149317.8806 297.7255 -183408.9114 -149227.5972 298.2167 -87.0991 -55.1450 557130.2921 8.1186 8.0810 PRESSURE: 3792200 11.6137 -60.5359 -5.20694 -60.5353 -91.3757 -112.236 -5.20545 -112.236 -49.9734 GPRESSURE: 3792200 48.1019 -54.2767 -59.0528 34.4945 -60.9865 -171.047 -10.7476 -94.0503 -5.409 PRESSAVG: 3792200 3.12515 -47.2321 -33.2019 -47.2321 -56.1914 -8.56873 -33.2017 -8.56875 55.9349 GPRESSAVG: 3792200 2.81074 -46.9524 -35.2109 -48.6541 -55.7236 -8.66801 -34.6845 -8.31692 56.1929 TIMING: 3792200 CPU: 11363.3, 0.0030274/step Wall: 11363.3, 0.0030274/step, 1.01569 hours remaining, 206.472656 MB of memory in use. ENERGY: 3792200 731.9965 2137.2776 1942.5084 98.6646 -206049.0005 17729.7472 0.0000 0.0000 34104.5833 -149304.2229 297.8438 -183408.8062 -149203.9090 298.6066 -43.2451 -6.0979 558802.4256 0.9562 1.0933 LDB: ============= START OF LOAD BALANCING ============== 11366.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11366.7 LDB: =============== DONE WITH MIGRATION ================ 11366.7 LDB: ============= START OF LOAD BALANCING ============== 11367 LDB: Largest compute 4820 load 0.024188 is 20.5% of average load 0.118149 LDB: Average compute 0.001726 is 1.5% of average load 0.118149 LDB: TIME 11367 LOAD: AVG 0.118149 MAX 0.214322 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.25 MB LDB: TIME 11367 LOAD: AVG 0.118149 MAX 0.214322 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.254 MB LDB: TIME 11367 LOAD: AVG 0.118149 MAX 0.214322 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.254 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11367 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11367 PRESSURE: 3792400 -414.043 -64.7829 48.559 -64.7845 -380.53 48.5785 48.5592 48.5777 -130.109 GPRESSURE: 3792400 -453.785 -86.765 10.7909 -23.1288 -299.571 70.3904 71.8098 45.733 -85.7609 PRESSAVG: 3792400 16.7363 -2.40563 82.9129 -2.40558 -17.7614 55.5748 82.9129 55.5749 -9.31762 GPRESSAVG: 3792400 17.2049 -1.34317 83.0341 -1.97661 -18.6831 55.6154 83.5507 55.1587 -8.76675 TIMING: 3792400 CPU: 11363.9, 0.00311541/step Wall: 11363.9, 0.00311541/step, 1.04505 hours remaining, 205.703125 MB of memory in use. ENERGY: 3792400 758.0400 2108.8957 1905.8920 107.1114 -205661.4958 17350.8567 0.0000 0.0000 34010.6979 -149420.0021 297.0239 -183430.7000 -149322.5569 298.4546 -308.2276 -279.7058 559247.8482 -3.4476 -3.4150 PRESSURE: 3792600 -238.437 55.8915 58.1315 55.8897 -176.036 99.0784 58.1313 99.0783 -52.7629 GPRESSURE: 3792600 -211.979 9.08485 47.3163 40.7981 -156.35 140.045 63.3013 89.0249 -2.10175 PRESSAVG: 3792600 8.68786 33.3821 14.4208 33.382 9.04499 12.8225 14.4208 12.8226 33.9315 GPRESSAVG: 3792600 8.61019 34.1309 15.4476 31.6986 9.86045 12.732 10.9367 12.4058 33.191 TIMING: 3792600 CPU: 11364.5, 0.00304542/step Wall: 11364.5, 0.00304542/step, 1.0214 hours remaining, 205.902344 MB of memory in use. ENERGY: 3792600 738.5795 2096.2517 1964.4140 112.8113 -206150.8997 17663.6297 0.0000 0.0000 34349.5756 -149225.6378 299.9834 -183575.2134 -149130.1123 299.0072 -155.7456 -123.4768 558925.8641 17.2214 17.2206 PRESSURE: 3792800 -55.9635 -1.12935 55.2144 -1.12773 -126.411 88.6038 55.2164 88.6045 99.334 GPRESSURE: 3792800 -28.8904 60.9845 -22.4679 32.6077 -43.1333 -11.7476 228.195 118.981 101.819 PRESSAVG: 3792800 -50.3445 33.3067 -0.358775 33.3067 -42.9716 21.1159 -0.358707 21.1159 80.9149 GPRESSAVG: 3792800 -50.2446 32.9851 -0.668088 33.2766 -43.2914 19.2471 2.98903 23.4964 81.1434 TIMING: 3792800 CPU: 11365.1, 0.00304964/step Wall: 11365.1, 0.00304964/step, 1.02265 hours remaining, 205.902344 MB of memory in use. ENERGY: 3792800 738.7507 2139.7362 1952.1193 120.1531 -206619.7706 17959.7706 0.0000 0.0000 34352.4591 -149356.7815 300.0086 -183709.2406 -149261.7189 299.1877 -27.6801 9.9317 556825.2985 -4.1338 -4.1309 PRESSURE: 3793000 27.2947 -36.3514 27.063 -36.3507 27.7988 -1.89687 27.0636 -1.89935 -87.1531 GPRESSURE: 3793000 45.0587 -49.5039 78.0505 -90.2198 69.2387 94.8314 51.161 -97.6332 -50.3217 PRESSAVG: 3793000 -29.1633 -21.3964 -25.2041 -21.3963 -4.43123 25.2164 -25.204 25.2163 -25.3424 GPRESSAVG: 3793000 -29.4558 -22.9568 -23.6613 -19.0195 -3.75938 24.8863 -26.7963 23.0564 -25.5782 TIMING: 3793000 CPU: 11365.7, 0.00303211/step Wall: 11365.7, 0.00303211/step, 1.0166 hours remaining, 205.902344 MB of memory in use. ENERGY: 3793000 745.0968 2013.0950 1932.8622 101.7793 -205999.2800 17617.3085 0.0000 0.0000 34292.9690 -149296.1693 299.4890 -183589.1383 -149192.2830 299.0691 -10.6865 21.3252 557713.2287 -19.6456 -19.5978 PRESSURE: 3793200 -380.631 -12.6368 65.9341 -12.6363 78.5762 -94.2737 65.9334 -94.2731 -25.5083 GPRESSURE: 3793200 -355.395 -18.136 10.1351 26.5628 109.492 -5.87699 120.692 -171.574 14.8473 PRESSAVG: 3793200 -67.0322 24.4149 -37.1208 24.4148 35.5677 13.8921 -37.1207 13.8922 4.29121 GPRESSAVG: 3793200 -66.6553 23.5337 -38.4457 24.2447 35.1094 12.4555 -36.6645 14.4245 4.48185 TIMING: 3793200 CPU: 11366.3, 0.00307213/step Wall: 11366.3, 0.00307213/step, 1.02985 hours remaining, 205.902344 MB of memory in use. ENERGY: 3793200 732.4722 2106.1269 1963.5759 114.8697 -206267.3594 17731.6507 0.0000 0.0000 34110.6375 -149508.0264 297.8967 -183618.6639 -149412.2817 298.6887 -109.1877 -77.0186 557045.8699 -9.0577 -9.0214 PRESSURE: 3793400 -13.0547 51.8735 -131.03 51.8736 38.6814 -51.9851 -131.029 -51.9845 -85.9278 GPRESSURE: 3793400 70.4636 102.886 -107.063 -21.4318 70.3479 -14.3904 -112.158 1.52592 -99.2554 PRESSAVG: 3793400 -39.7379 25.0284 -10.4159 25.0285 -23.3745 -14.7053 -10.4159 -14.7053 59.1354 GPRESSAVG: 3793400 -40.0827 23.249 -9.61107 24.03 -22.3999 -12.0876 -11.4361 -15.1167 58.5785 TIMING: 3793400 CPU: 11366.9, 0.00305838/step Wall: 11366.9, 0.00305838/step, 1.02507 hours remaining, 205.902344 MB of memory in use. ENERGY: 3793400 729.6093 2089.2215 1965.9517 105.2660 -206196.6933 17794.4214 0.0000 0.0000 34291.9815 -149220.2418 299.4804 -183512.2233 -149124.9940 298.6394 -20.1003 13.8521 556724.2106 -1.3257 -1.3014 PRESSURE: 3793600 -46.466 66.1801 121.806 66.1801 16.3134 -51.8483 121.806 -51.8468 -120.852 GPRESSURE: 3793600 -9.18001 51.8794 132.309 12.1894 52.9557 -33.4748 27.5244 -63.1907 -92.8912 PRESSAVG: 3793600 -1.82884 10.2921 -14.2488 10.2921 18.7186 8.84512 -14.2489 8.84514 -2.70725 GPRESSAVG: 3793600 -2.12914 12.5416 -13.6357 11.1489 17.7455 6.19604 -13.3939 9.79803 -1.44836 TIMING: 3793600 CPU: 11367.5, 0.00302033/step Wall: 11367.5, 0.00302033/step, 1.01215 hours remaining, 205.902344 MB of memory in use. ENERGY: 3793600 723.8137 2136.3663 1919.3121 123.9558 -206025.3106 17685.2628 0.0000 0.0000 34063.3281 -149373.2718 297.4835 -183436.5999 -149286.9976 298.8265 -50.3349 -16.3718 555787.1763 4.7275 4.7227 PRESSURE: 3793800 98.2911 21.4791 -4.49356 21.4782 91.571 -129.271 -4.4916 -129.271 -139.05 GPRESSURE: 3793800 142.087 -21.8689 84.0205 101.181 57.2241 -163.683 13.6186 -143.195 -64.5299 PRESSAVG: 3793800 -63.6564 68.3844 36.8874 68.3844 21.7958 18.685 36.8874 18.6852 27.9096 GPRESSAVG: 3793800 -62.4976 67.9867 35.3135 68.5301 21.0865 21.5601 36.7905 17.0507 27.8578 TIMING: 3793800 CPU: 11368.1, 0.00301886/step Wall: 11368.1, 0.00301886/step, 1.01148 hours remaining, 205.902344 MB of memory in use. ENERGY: 3793800 751.0529 2101.4327 1917.6954 119.3493 -206402.7181 17761.0812 0.0000 0.0000 34171.5333 -149580.5733 298.4285 -183752.1066 -149475.1246 298.7902 16.9375 44.9269 556308.4034 -4.6503 -4.5177 PRESSURE: 3794000 -269.494 -133.972 -34.8238 -133.973 -214.946 -37.6358 -34.8244 -37.6357 41.5655 GPRESSURE: 3794000 -242.864 -225.125 -20.3558 -148.321 -112.177 -83.7527 0.467972 34.1914 14.9242 PRESSAVG: 3794000 -7.10253 31.7779 -0.456822 31.7779 -11.3868 9.5437 -0.456735 9.54378 19.3507 GPRESSAVG: 3794000 -6.84728 33.3454 1.39481 30.861 -10.4626 7.43503 -1.56769 10.8393 18.4853 TIMING: 3794000 CPU: 11368.8, 0.00306416/step Wall: 11368.8, 0.00306416/step, 1.02649 hours remaining, 205.902344 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: 3794000 772.1492 2054.4640 1929.3812 117.9667 -206247.2698 17635.5907 0.0000 0.0000 33905.1428 -149832.5751 296.1020 -183737.7179 -149739.7130 297.6360 -147.6248 -113.3723 556411.1674 0.2871 0.3918 PRESSURE: 3794200 -4.48707 -72.21 -59.6239 -72.2097 -177.288 -117.875 -59.6213 -117.875 -78.2852 GPRESSURE: 3794200 -16.6761 -131.008 -34.9102 -83.54 -149.636 -26.3798 -46.4652 -136.423 3.30959 PRESSAVG: 3794200 -10.9823 10.3447 10.1391 10.3446 -14.7333 -36.2797 10.1392 -36.2798 47.4375 GPRESSAVG: 3794200 -10.3194 10.1935 9.75414 10.5749 -16.2093 -34.0637 10.7945 -37.2059 47.5923 TIMING: 3794200 CPU: 11369.4, 0.00302012/step Wall: 11369.4, 0.00302012/step, 1.01157 hours remaining, 205.902344 MB of memory in use. ENERGY: 3794200 743.8703 2055.8662 1920.3869 113.6548 -206767.8212 17912.7927 0.0000 0.0000 34053.0864 -149968.1640 297.3941 -184021.2504 -149863.5879 296.8233 -86.6869 -54.3342 557233.9342 7.2406 7.0212 PRESSURE: 3794400 -14.7556 185.557 -136.115 185.556 -153.978 178.616 -136.116 178.618 202.429 GPRESSURE: 3794400 45.7557 108.054 -168.748 188.048 -155.996 171.97 -105.838 161.911 246.857 PRESSAVG: 3794400 27.9225 32.2396 14.7074 32.2397 -76.3883 -7.00329 14.7073 -7.00329 60.4967 GPRESSAVG: 3794400 27.2558 30.2193 14.1845 33.335 -75.8561 -8.32328 14.6711 -6.28774 59.9175 TIMING: 3794400 CPU: 11370, 0.00304212/step Wall: 11370, 0.00304212/step, 1.01877 hours remaining, 205.902344 MB of memory in use. ENERGY: 3794400 741.4498 2099.3809 1940.4455 124.5541 -206574.8067 17721.2883 0.0000 0.0000 34012.0966 -149935.5915 297.0361 -183947.6881 -149839.4687 297.3007 11.2317 45.5389 556239.4226 4.0103 3.7724 PRESSURE: 3794600 -12.9143 -121.125 -147.94 -121.124 -127.858 57.181 -147.939 57.1791 209.838 GPRESSURE: 3794600 -41.9147 -115.948 -31.4971 -195.505 -15.333 -54.0835 -137.164 85.2164 218.028 PRESSAVG: 3794600 -2.99462 39.5356 44.0612 39.5358 -79.6342 46.2524 44.0612 46.2524 82.6432 GPRESSAVG: 3794600 -3.67746 41.6158 45.8754 36.4284 -78.3345 45.2075 45.054 45.7642 82.3427 TIMING: 3794600 CPU: 11370.6, 0.00305905/step Wall: 11370.6, 0.00305905/step, 1.02427 hours remaining, 205.902344 MB of memory in use. ENERGY: 3794600 734.9194 2104.5963 1929.8903 105.0133 -206466.0647 17885.8704 0.0000 0.0000 33967.7342 -149738.0409 296.6487 -183705.7751 -149637.3044 297.1606 23.0220 53.5934 555729.3472 0.0048 0.1102 PRESSURE: 3794800 -83.5599 153.63 -17.3516 153.63 146.569 80.1734 -17.3524 80.1733 90.5247 GPRESSURE: 3794800 -50.1855 173.46 75.2334 121.51 153.97 81.1121 -16.5776 79.1703 141.249 PRESSAVG: 3794800 -11.9283 34.3563 39.9672 34.3562 19.0075 9.61947 39.9673 9.61951 32.8219 GPRESSAVG: 3794800 -11.6 33.1456 38.8638 36.843 17.7726 10.6168 39.6659 9.10105 32.732 TIMING: 3794800 CPU: 11371.2, 0.00302847/step Wall: 11371.2, 0.00302847/step, 1.01386 hours remaining, 205.902344 MB of memory in use. ENERGY: 3794800 756.6176 2037.4152 1930.9601 121.3860 -206783.5574 18063.4816 0.0000 0.0000 33949.6361 -149924.0609 296.4906 -183873.6971 -149826.6645 297.4712 51.1780 81.6780 556955.4390 13.3004 12.9682 PRESSURE: 3795000 -156.261 -113.007 289.269 -113.007 -103.564 -128.69 289.27 -128.689 -104.918 GPRESSURE: 3795000 -75.9795 -122.667 246.012 -112.004 -100.63 -124.812 311.879 -75.3001 -85.6082 PRESSAVG: 3795000 67.8825 13.4932 64.206 13.4931 -57.9373 23.61 64.2059 23.6099 -14.7566 GPRESSAVG: 3795000 66.8199 14.1633 62.5187 11.2403 -57.7484 21.119 63.0591 24.1751 -14.3464 TIMING: 3795000 CPU: 11371.8, 0.00304011/step Wall: 11371.8, 0.00304011/step, 1.01759 hours remaining, 205.902344 MB of memory in use. ENERGY: 3795000 765.9989 2089.7972 1935.6859 107.8628 -206908.5955 17963.2414 0.0000 0.0000 34207.7992 -149838.2101 298.7452 -184046.0093 -149747.8852 298.0515 -121.5811 -87.4058 557484.4591 -1.6038 -1.7583 PRESSURE: 3795200 -96.4179 73.9548 72.1295 73.9543 10.3303 204.698 72.1291 204.698 -430.875 GPRESSURE: 3795200 -31.1735 171.134 189.862 87.1587 38.4847 167.424 11.1922 169.41 -444.748 PRESSAVG: 3795200 13.3337 -28.0575 69.8768 -28.0575 -38.9347 -17.343 69.8767 -17.343 -32.6478 GPRESSAVG: 3795200 12.9593 -26.8955 70.9687 -26.2097 -38.0092 -16.2172 68.6438 -15.6428 -32.8484 TIMING: 3795200 CPU: 11372.4, 0.003062/step Wall: 11372.4, 0.003062/step, 1.02475 hours remaining, 205.902344 MB of memory in use. ENERGY: 3795200 747.7570 2121.8558 1954.4317 121.4252 -206681.8913 17773.9272 0.0000 0.0000 34123.1153 -149839.3791 298.0057 -183962.4944 -149743.3530 297.5102 -172.3207 -145.8123 557772.4893 -19.4163 -19.2994 PRESSURE: 3795400 -204.026 122.665 52.9138 122.666 -164.779 137.565 52.9139 137.563 238.185 GPRESSURE: 3795400 -213.605 57.2102 53.5689 134.863 -67.6668 118.514 55.8448 124.646 247.142 PRESSAVG: 3795400 53.0771 -35.7645 24.0697 -35.7646 29.7938 -30.4338 24.0696 -30.4339 -64.8113 GPRESSAVG: 3795400 53.44 -38.1929 23.2956 -35.6145 28.812 -30.8488 26.3802 -30.4373 -64.2643 TIMING: 3795400 CPU: 11373, 0.00304865/step Wall: 11373, 0.00304865/step, 1.02011 hours remaining, 205.902344 MB of memory in use. ENERGY: 3795400 777.0296 2070.6149 1987.4652 115.5089 -206749.8318 17909.7176 0.0000 0.0000 33999.1477 -149890.3479 296.9230 -183889.4956 -149789.9508 296.9922 -43.5399 -11.3768 557144.9208 6.0199 5.9959 PRESSURE: 3795600 171.232 -133.533 -2.22238 -133.532 -96.589 -46.304 -2.22207 -46.3033 -50.7097 GPRESSURE: 3795600 262.173 -191.749 -35.0189 -147.072 -53.9666 -67.5253 -77.1169 -29.683 -76.9058 PRESSAVG: 3795600 29.8778 -10.4498 -31.7849 -10.4498 -66.5805 -16.8005 -31.7849 -16.8005 13.0238 GPRESSAVG: 3795600 30.1276 -10.3752 -30.9503 -10.8277 -66.7739 -17.8908 -30.259 -20.4804 13.3725 TIMING: 3795600 CPU: 11373.6, 0.00305577/step Wall: 11373.6, 0.00305577/step, 1.02232 hours remaining, 205.902344 MB of memory in use. ENERGY: 3795600 753.3059 2085.4612 1943.1830 111.7667 -206907.7278 18045.8503 0.0000 0.0000 34016.1793 -149951.9815 297.0718 -183968.1608 -149865.6523 297.1186 7.9777 43.7669 557151.9488 -7.8930 -7.7579 PRESSURE: 3795800 73.7327 91.7847 102.548 91.7848 -65.5732 99.7571 102.548 99.756 195.981 GPRESSURE: 3795800 150.33 109.716 13.0742 113.987 -17.7533 88.0826 82.0605 88.7447 175.626 PRESSAVG: 3795800 61.4523 41.13 -11.2749 41.1299 -51.0649 -62.8569 -11.2749 -62.8571 11.6033 GPRESSAVG: 3795800 61.1392 42.596 -14.619 40.6309 -51.3853 -61.9467 -10.7984 -60.4315 12.6204 TIMING: 3795800 CPU: 11374.2, 0.00305956/step Wall: 11374.2, 0.00305956/step, 1.02342 hours remaining, 205.902344 MB of memory in use. ENERGY: 3795800 750.9092 2067.2032 1922.4111 113.0896 -207110.6662 18197.7741 0.0000 0.0000 34227.0261 -149832.2528 298.9131 -184059.2788 -149734.0206 297.5417 68.0468 102.7343 556900.7834 7.3302 7.4581 PRESSURE: 3796000 -253.729 -24.7881 -68.3332 -24.7893 -81.39 -24.8951 -68.3326 -24.8944 15.429 GPRESSURE: 3796000 -219.505 27.9069 -90.862 -60.7306 -85.0868 -54.3886 -72.6496 26.0078 76.4219 PRESSAVG: 3796000 -23.9566 -12.0076 18.0693 -12.0078 -32.6667 55.5246 18.0693 55.5246 31.5674 GPRESSAVG: 3796000 -24.1192 -12.0568 20.7187 -12.5786 -32.0022 56.3087 15.2788 55.1368 31.2435 TIMING: 3796000 CPU: 11374.9, 0.00304824/step Wall: 11374.9, 0.00304824/step, 1.01947 hours remaining, 205.902344 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: 3796000 743.3408 2032.8885 1970.3837 98.5487 -206870.0981 17992.7493 0.0000 0.0000 34153.3165 -149878.8706 298.2694 -184032.1871 -149783.0555 297.5699 -106.5633 -76.0566 556672.8988 -8.3520 -8.2926 PRESSURE: 3796200 219.269 -96.5548 91.7459 -96.5553 -61.8622 109.618 91.7451 109.619 33.0178 GPRESSURE: 3796200 324.709 -106.139 160.006 -66.1894 -90.5138 98.9274 19.1399 121.743 59.3545 PRESSAVG: 3796200 36.7786 7.89977 -14.8528 7.89971 -31.7791 -7.49656 -14.8528 -7.49669 7.91314 GPRESSAVG: 3796200 36.8271 7.94751 -14.3863 7.82518 -31.9052 -9.33178 -14.8454 -5.21804 7.94576 TIMING: 3796200 CPU: 11375.5, 0.00303233/step Wall: 11375.5, 0.00303233/step, 1.01398 hours remaining, 205.902344 MB of memory in use. ENERGY: 3796200 771.5540 2097.4159 1963.0785 117.0994 -206821.4991 17992.9259 0.0000 0.0000 34175.1974 -149704.2279 298.4605 -183879.4253 -149615.0829 297.9668 63.4748 97.8499 554660.0166 4.3042 4.2892 LDB: ============= START OF LOAD BALANCING ============== 11378.9 LDB: ============== END OF LOAD BALANCING =============== 11378.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11378.9 LDB: ============= START OF LOAD BALANCING ============== 11379.2 LDB: Largest compute 4820 load 0.022723 is 19.2% of average load 0.118158 LDB: Average compute 0.001723 is 1.5% of average load 0.118158 LDB: TIME 11379.2 LOAD: AVG 0.118158 MAX 0.216891 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.703 MB LDB: TIME 11379.2 LOAD: AVG 0.118158 MAX 0.216891 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.902 MB LDB: TIME 11379.2 LOAD: AVG 0.118158 MAX 0.216891 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11379.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11379.2 PRESSURE: 3796400 -104.959 -47.8091 -93.1446 -47.8093 -195.59 89.5125 -93.1446 89.512 -213.854 GPRESSURE: 3796400 -117.782 -52.6579 -192.753 12.8936 -162.454 31.9266 2.01153 61.9207 -150.169 PRESSAVG: 3796400 -1.81558 38.302 -40.8433 38.302 -6.55307 0.828895 -40.8434 0.82894 -6.87283 GPRESSAVG: 3796400 -1.9495 38.4495 -42.037 39.5423 -6.69008 1.54609 -39.7616 -2.19089 -7.42008 TIMING: 3796400 CPU: 11376.1, 0.00307862/step Wall: 11376.1, 0.00307862/step, 1.02928 hours remaining, 207.246094 MB of memory in use. ENERGY: 3796400 751.9314 2105.2928 1954.6410 114.1737 -206263.9413 17576.1145 0.0000 0.0000 34155.7544 -149606.0336 298.2907 -183761.7879 -149512.8252 298.5209 -171.4677 -143.4686 556885.4791 -5.0805 -5.3532 PRESSURE: 3796600 -137.012 -2.50267 149.639 -2.5023 -71.7541 -28.5895 149.64 -28.589 -118.049 GPRESSURE: 3796600 -112.085 -57.9052 124.018 -60.4788 -10.2092 -69.1662 148.183 -82.8164 -100.132 PRESSAVG: 3796600 85.5323 -18.934 -6.70945 -18.9339 -59.8831 25.9373 -6.70939 25.9374 -40.5597 GPRESSAVG: 3796600 85.4604 -19.0496 -5.50801 -19.6929 -58.7838 25.8634 -6.93336 26.4524 -41.4788 TIMING: 3796600 CPU: 11376.7, 0.0030277/step Wall: 11376.7, 0.0030277/step, 1.01209 hours remaining, 207.445312 MB of memory in use. ENERGY: 3796600 737.9616 2145.4649 1946.7132 116.9148 -206315.3813 17631.3944 0.0000 0.0000 34077.2266 -149659.7057 297.6049 -183736.9323 -149562.3628 298.2559 -108.9385 -74.1418 557136.3367 -4.9702 -4.9340 PRESSURE: 3796800 -238.516 -43.9377 -6.90164 -43.9381 11.8527 4.68207 -6.90125 4.68206 -197.829 GPRESSURE: 3796800 -188.173 -3.32607 8.99699 -1.51153 107.612 -16.544 -9.30956 32.5592 -246.361 PRESSAVG: 3796800 14.4353 -29.7585 -8.12227 -29.7586 2.57625 18.4451 -8.1224 18.4451 -78.3597 GPRESSAVG: 3796800 14.9086 -32.2104 -8.07224 -28.9641 2.40339 17.8826 -8.55442 19.384 -78.2453 TIMING: 3796800 CPU: 11377.3, 0.00302201/step Wall: 11377.3, 0.00302201/step, 1.01002 hours remaining, 207.445312 MB of memory in use. ENERGY: 3796800 743.5041 2072.4946 1941.7370 103.2676 -206553.7478 17949.5739 0.0000 0.0000 34187.5292 -149555.6414 298.5682 -183743.1706 -149464.5857 297.9805 -141.4976 -108.9738 558298.4490 -20.4494 -20.3111 PRESSURE: 3797000 -91.8598 -6.95558 -58.3805 -6.95562 90.3047 14.0984 -58.3801 14.0966 -137.596 GPRESSURE: 3797000 -78.6285 -8.05452 -79.3312 31.303 93.0481 45.4947 -11.1805 57.2752 -53.0461 PRESSAVG: 3797000 30.8026 -8.65519 10.8404 -8.65516 23.0032 -14.3476 10.8405 -14.3477 -58.5462 GPRESSAVG: 3797000 30.2681 -8.82328 8.68567 -9.02358 22.3684 -14.342 11.7291 -13.7151 -57.7712 TIMING: 3797000 CPU: 11377.9, 0.00303563/step Wall: 11377.9, 0.00303563/step, 1.01441 hours remaining, 207.445312 MB of memory in use. ENERGY: 3797000 717.3903 2076.5980 1946.1654 107.3170 -206269.7179 17766.5364 0.0000 0.0000 34240.3281 -149415.3826 299.0293 -183655.7107 -149314.1653 298.8992 -46.3836 -12.8755 558211.9326 -1.5801 -1.7116 PRESSURE: 3797200 -174.714 30.075 20.6529 30.0764 -114.586 -136.694 20.6527 -136.694 104.496 GPRESSURE: 3797200 -118.279 6.96634 39.6614 -40.3113 -15.8466 -195.922 151.412 -20.172 50.3884 PRESSAVG: 3797200 -7.90962 -7.41957 1.45792 -7.41951 18.5476 -2.83037 1.45786 -2.8304 25.8535 GPRESSAVG: 3797200 -7.76911 -7.48077 3.39773 -7.66342 18.48 -3.43408 0.332194 -2.15002 25.6745 TIMING: 3797200 CPU: 11378.5, 0.00302798/step Wall: 11378.5, 0.00302798/step, 1.01168 hours remaining, 207.445312 MB of memory in use. ENERGY: 3797200 774.5390 2117.3217 1935.6479 111.8290 -206384.1394 17982.1817 0.0000 0.0000 34029.4892 -149433.1307 297.1880 -183462.6199 -149340.5464 298.4069 -61.6014 -27.9124 559187.4130 12.1638 12.1285 PRESSURE: 3797400 -35.3139 23.2792 -6.3119 23.279 -196.247 -98.5846 -6.31207 -98.5852 -208.805 GPRESSURE: 3797400 -2.87056 -13.1261 -70.2341 42.2044 -164.109 -8.72588 66.8174 -60.4306 -174.282 PRESSAVG: 3797400 41.3252 -39.6605 -61.2449 -39.6605 -36.1049 -82.7881 -61.2449 -82.788 -18.0535 GPRESSAVG: 3797400 41.5625 -37.3208 -61.4125 -41.3109 -36.5637 -80.4583 -60.3947 -83.8808 -17.6042 TIMING: 3797400 CPU: 11379.1, 0.00305559/step Wall: 11379.1, 0.00305559/step, 1.02074 hours remaining, 207.445312 MB of memory in use. ENERGY: 3797400 735.3656 2138.5285 1957.8344 107.1566 -205904.6966 17584.3475 0.0000 0.0000 33930.1207 -149451.3434 296.3202 -183381.4641 -149346.9113 298.1192 -146.7885 -113.7539 559249.4686 -4.2777 -4.2018 PRESSURE: 3797600 -328.859 45.6673 -94.2798 45.6666 -151.135 16.3168 -94.279 16.3162 -219.452 GPRESSURE: 3797600 -265.309 21.2936 -8.07686 58.0651 -87.5124 4.82625 -77.368 -74.0745 -242.104 PRESSAVG: 3797600 9.39403 24.8353 -34.6526 24.8353 -23.0641 -26.7806 -34.6527 -26.7806 14.9097 GPRESSAVG: 3797600 8.26156 22.1641 -35.0649 27.1954 -21.8712 -30.1056 -35.7761 -24.3428 15.0373 TIMING: 3797600 CPU: 11379.7, 0.00303527/step Wall: 11379.7, 0.00303527/step, 1.01378 hours remaining, 207.445312 MB of memory in use. ENERGY: 3797600 728.2137 2111.7789 1949.8778 110.4580 -205768.8206 17370.4984 0.0000 0.0000 34146.1782 -149351.8158 298.2071 -183497.9939 -149261.6154 298.5556 -233.1486 -198.3084 557765.9916 0.4132 0.4759 PRESSURE: 3797800 -97.8658 -144.425 76.4151 -144.425 150.345 -148.957 76.4155 -148.956 3.64848 GPRESSURE: 3797800 -69.0382 -79.309 48.5747 -99.0351 127.272 -125.8 41.0182 -190.243 90.4986 PRESSAVG: 3797800 -33.6575 -35.3178 -20.6163 -35.3177 -32.6568 7.02082 -20.6162 7.02084 47.7714 GPRESSAVG: 3797800 -32.6872 -31.5891 -21.8305 -35.9921 -34.1155 9.81112 -21.0652 4.58654 48.1111 TIMING: 3797800 CPU: 11380.3, 0.0030376/step Wall: 11380.3, 0.0030376/step, 1.01439 hours remaining, 207.445312 MB of memory in use. ENERGY: 3797800 716.0606 2117.7337 1982.1962 121.4316 -206243.5140 17883.2296 0.0000 0.0000 34022.6474 -149400.2150 297.1282 -183422.8624 -149306.3712 298.3572 18.7091 49.5774 558724.1389 -6.1810 -6.2305 PRESSURE: 3798000 -83.2876 -20.0121 -48.5182 -20.0113 30.9332 -55.1618 -48.5183 -55.1622 -276.458 GPRESSURE: 3798000 14.9095 35.7129 -88.7385 -101.798 28.3355 -64.2167 -81.6288 -89.0636 -263.58 PRESSAVG: 3798000 21.8489 15.8825 -19.3329 15.8825 27.8491 58.6486 -19.333 58.6485 -38.6103 GPRESSAVG: 3798000 23.5654 13.9975 -15.4915 15.4901 26.617 56.2701 -20.9757 59.7379 -39.4171 TIMING: 3798000 CPU: 11380.9, 0.00301925/step Wall: 11380.9, 0.00301925/step, 1.00809 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: 3798000 721.1583 2060.2861 1947.8630 106.4955 -206036.8445 17758.0713 0.0000 0.0000 34240.6085 -149202.3618 299.0317 -183442.9703 -149107.4874 298.3584 -109.6040 -73.4449 558637.2905 3.6959 3.5884 PRESSURE: 3798200 6.28753 -33.3747 40.2477 -33.3743 -11.0849 95.7106 40.2475 95.7098 41.4354 GPRESSURE: 3798200 8.23657 -28.5904 34.2183 -25.3088 45.27 189.685 28.5909 34.0899 81.5055 PRESSAVG: 3798200 19.3093 -0.713675 -22.9365 -0.713652 -38.0601 32.4346 -22.9365 32.4346 33.2557 GPRESSAVG: 3798200 18.2713 -1.36568 -24.7536 0.37877 -37.0375 33.4588 -23.4089 30.1023 33.6755 TIMING: 3798200 CPU: 11381.5, 0.00299661/step Wall: 11381.5, 0.00299661/step, 1.00037 hours remaining, 207.445312 MB of memory in use. ENERGY: 3798200 749.4045 2116.7503 1969.3130 106.3090 -206079.4666 18024.5840 0.0000 0.0000 34194.0362 -148919.0696 298.6250 -183113.1058 -148813.3090 299.0291 12.2127 45.0040 559699.8546 4.8350 4.9698 PRESSURE: 3798400 25.5477 -90.7554 -6.06175 -90.7551 -28.5077 -3.04784 -6.06149 -3.04742 -126.037 GPRESSURE: 3798400 56.048 -45.5965 40.3018 -141.724 -23.5016 6.75217 -76.0158 16.8574 -56.2468 PRESSAVG: 3798400 14.6558 -60.2393 -0.176988 -60.2393 -4.12339 5.71192 -0.176921 5.71195 -31.4703 GPRESSAVG: 3798400 14.9834 -60.7842 -2.16295 -57.6156 -4.51925 6.35767 -0.0244838 8.59048 -31.4228 TIMING: 3798400 CPU: 11382.1, 0.00300376/step Wall: 11382.1, 0.00300376/step, 1.00259 hours remaining, 207.445312 MB of memory in use. ENERGY: 3798400 771.8074 2123.7226 1963.1059 113.8212 -206126.6037 17950.4909 0.0000 0.0000 34114.3388 -149089.3170 297.9290 -183203.6558 -148991.7051 300.0564 -42.9990 -7.9001 559489.9562 -6.9793 -6.9862 PRESSURE: 3798600 -90.6202 -9.3766 99.3863 -9.37564 -317.53 83.5442 99.3868 83.5441 -251.819 GPRESSURE: 3798600 -106.145 46.2727 78.6296 -63.6589 -238.838 16.9495 120.931 57.5695 -212.973 PRESSAVG: 3798600 25.7225 12.3362 9.72238 12.3363 -26.92 13.7026 9.72234 13.7027 21.3165 GPRESSAVG: 3798600 24.7748 12.0639 10.4245 9.28121 -26.3655 12.854 10.68 13.2718 21.223 TIMING: 3798600 CPU: 11382.7, 0.00302902/step Wall: 11382.7, 0.00302902/step, 1.01085 hours remaining, 207.445312 MB of memory in use. ENERGY: 3798600 763.6960 2080.0857 1921.3475 103.2844 -205635.3590 17513.1571 0.0000 0.0000 34184.3104 -149069.4779 298.5401 -183253.7883 -148974.6413 300.2040 -219.9897 -185.9851 558810.6810 6.7063 6.5441 PRESSURE: 3798800 -293.815 203.073 105.454 203.071 -155.337 95.308 105.454 95.3065 -61.7164 GPRESSURE: 3798800 -204.446 168.318 87.749 216.002 -180.483 191.74 145.367 23.4706 -24.9645 PRESSAVG: 3798800 -9.56185 -21.9291 26.3385 -21.9292 21.8713 -24.0946 26.3385 -24.0946 -19.6371 GPRESSAVG: 3798800 -8.99016 -20.4517 27.2326 -22.3039 21.1956 -21.9248 25.5667 -25.3258 -19.8405 TIMING: 3798800 CPU: 11383.3, 0.00304661/step Wall: 11383.3, 0.00304661/step, 1.01655 hours remaining, 207.445312 MB of memory in use. ENERGY: 3798800 755.5037 2072.9443 1955.2140 115.9015 -205937.3580 17596.9216 0.0000 0.0000 34324.1657 -149116.7073 299.7615 -183440.8730 -149016.3745 299.8443 -170.2895 -136.6313 558284.4541 -2.4426 -2.5450 PRESSURE: 3799000 272.745 91.6983 -134.245 91.6977 -78.4138 -88.6898 -134.243 -88.6921 42.4982 GPRESSURE: 3799000 270.831 51.9774 -165.812 113.781 -30.5571 -129.285 -171.386 -2.04851 91.1421 PRESSAVG: 3799000 4.49087 22.2222 -33.3214 22.2223 16.946 15.1753 -33.3215 15.1754 -0.853012 GPRESSAVG: 3799000 3.38415 21.7174 -33.9588 24.0876 16.6329 14.2444 -33.287 16.8907 -0.0871488 TIMING: 3799000 CPU: 11384, 0.0030423/step Wall: 11384, 0.0030423/step, 1.01495 hours remaining, 207.445312 MB of memory in use. ENERGY: 3799000 740.7507 2137.0527 1960.9713 104.8169 -206240.4798 17821.2865 0.0000 0.0000 34310.9756 -149164.6261 299.6463 -183475.6017 -149059.3850 299.2151 78.9430 110.4719 556653.9740 6.8613 6.6433 PRESSURE: 3799200 -237.299 -23.693 149.563 -23.6945 -83.105 -136.246 149.563 -136.246 124.098 GPRESSURE: 3799200 -215.652 -134.854 -13.913 -8.63265 -104.227 -76.9916 159.486 -162.294 221.394 PRESSAVG: 3799200 -26.2326 38.5313 -1.5936 38.5313 -32.1912 -18.4587 -1.59365 -18.4586 60.8911 GPRESSAVG: 3799200 -26.1424 40.8378 -1.92663 37.2313 -32.499 -18.4219 -0.48577 -18.7173 60.8292 TIMING: 3799200 CPU: 11384.6, 0.00300975/step Wall: 11384.6, 0.00300975/step, 1.00392 hours remaining, 207.445312 MB of memory in use. ENERGY: 3799200 753.2910 2083.7634 1936.0018 104.5220 -205845.9963 17566.4214 0.0000 0.0000 34475.6000 -148926.3967 301.0840 -183401.9967 -148819.0026 299.8468 -65.4355 -32.8284 557167.9173 0.8224 0.7293 PRESSURE: 3799400 -61.7218 231.333 -47.5814 231.333 -236.207 52.7094 -47.5814 52.7088 -289.112 GPRESSURE: 3799400 -47.6239 154.997 -117.247 280.876 -174.186 19.6308 -35.557 -33.3593 -263.152 PRESSAVG: 3799400 -12.951 80.058 -30.1862 80.0579 -28.982 29.2186 -30.1861 29.2184 31.0678 GPRESSAVG: 3799400 -13.8152 76.5661 -28.2463 80.78 -28.4355 29.7109 -32.3951 26.9615 31.6131 TIMING: 3799400 CPU: 11385.2, 0.00303018/step Wall: 11385.2, 0.00303018/step, 1.01056 hours remaining, 207.445312 MB of memory in use. ENERGY: 3799400 754.3973 2095.5954 1948.5002 97.2155 -205757.8845 17493.8672 0.0000 0.0000 34414.2748 -148954.0342 300.5484 -183368.3089 -148856.7863 300.2131 -195.6803 -161.6538 558216.1882 -3.6217 -3.5459 PRESSURE: 3799600 70.9788 -174.637 5.31471 -174.636 63.6334 -4.52678 5.31452 -4.52683 158.152 GPRESSURE: 3799600 106.703 -152.815 62.6243 -181.736 81.0815 -3.08428 -26.4543 97.7676 207.995 PRESSAVG: 3799600 1.13511 18.2919 -44.6668 18.2918 -24.0777 -37.1331 -44.6669 -37.1331 -13.016 GPRESSAVG: 3799600 2.58921 18.4469 -47.1021 19.6725 -24.0893 -38.1746 -43.6352 -34.6213 -14.3441 TIMING: 3799600 CPU: 11385.8, 0.00303718/step Wall: 11385.8, 0.00303718/step, 1.01273 hours remaining, 207.445312 MB of memory in use. ENERGY: 3799600 740.5471 2096.6341 1937.8892 104.4523 -205967.9899 17903.1759 0.0000 0.0000 34116.2653 -149069.0260 297.9458 -183185.2913 -148972.5503 299.4356 97.5882 131.9265 558059.8347 -11.9862 -11.9481 PRESSURE: 3799800 -201.626 -69.3514 -56.8764 -69.3513 -125.073 87.3687 -56.8758 87.3688 -14.9787 GPRESSURE: 3799800 -86.6319 -52.6188 -93.171 -137.478 -134.524 210.614 -35.6818 -6.7077 -13.8365 PRESSAVG: 3799800 44.5316 3.09218 -97.2128 3.09217 19.1046 -21.0663 -97.2129 -21.0663 8.00546 GPRESSAVG: 3799800 44.9055 4.88821 -94.777 0.28795 17.5169 -24.1305 -97.3543 -20.1207 9.05037 TIMING: 3799800 CPU: 11386.4, 0.00304006/step Wall: 11386.4, 0.00304006/step, 1.01352 hours remaining, 207.445312 MB of memory in use. ENERGY: 3799800 821.7820 2096.1264 1943.2997 116.3477 -206268.7049 17806.7835 0.0000 0.0000 34297.8716 -149186.4939 299.5318 -183484.3656 -149091.8395 299.2126 -113.8927 -78.3309 557932.0524 23.8805 23.8242 PRESSURE: 3800000 47.3982 -61.8515 -29.4656 -61.8528 23.6384 -108.231 -29.4653 -108.23 -13.0209 GPRESSURE: 3800000 92.2313 -66.934 -27.6945 -79.7283 70.6018 -62.1729 20.3601 -92.7185 3.77889 PRESSAVG: 3800000 83.5016 11.4975 23.9714 11.4975 -30.935 31.7422 23.9714 31.7422 -32.3558 GPRESSAVG: 3800000 83.6697 12.0278 22.2117 11.1416 -30.6414 34.0163 23.8102 30.7049 -32.407 TIMING: 3800000 CPU: 11387, 0.0030467/step Wall: 11387, 0.0030467/step, 1.01557 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: 3800000 736.3322 2110.3410 1943.7977 120.2015 -206219.5513 17904.3332 0.0000 0.0000 34397.9469 -149006.5987 300.4058 -183404.5456 -148918.7859 299.8483 19.3386 55.5373 557532.9264 6.7369 6.8738 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3800000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3800000 WRITING COORDINATES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3800200 218.816 -191.392 167.887 -191.393 32.7432 116.962 167.887 116.961 396.094 GPRESSURE: 3800200 225.435 -119.32 121.269 -180.816 83.5747 99.0497 306.307 87.1961 430.837 PRESSAVG: 3800200 31.2981 -58.735 -20.1106 -58.735 17.2009 -58.9257 -20.1105 -58.9257 6.92199 GPRESSAVG: 3800200 31.29 -58.0586 -20.5011 -57.4994 17.7251 -58.6592 -19.402 -59.6846 6.7645 TIMING: 3800200 CPU: 11387.6, 0.00309011/step Wall: 11387.6, 0.00309011/step, 1.02987 hours remaining, 207.445312 MB of memory in use. ENERGY: 3800200 754.3364 2090.9468 1932.4939 117.2858 -206566.7846 18093.6115 0.0000 0.0000 34286.1385 -149291.9717 299.4294 -183578.1102 -149194.2957 300.1307 215.8846 246.6158 556138.4740 18.4737 18.5932 LDB: ============= START OF LOAD BALANCING ============== 11391 LDB: ============== END OF LOAD BALANCING =============== 11391 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11391 LDB: ============= START OF LOAD BALANCING ============== 11391.3 LDB: Largest compute 4820 load 0.021881 is 18.5% of average load 0.118168 LDB: Average compute 0.001723 is 1.5% of average load 0.118168 LDB: TIME 11391.3 LOAD: AVG 0.118168 MAX 0.21517 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.434 MB LDB: TIME 11391.3 LOAD: AVG 0.118168 MAX 0.21517 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.438 MB LDB: TIME 11391.3 LOAD: AVG 0.118168 MAX 0.21517 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11391.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11391.3 PRESSURE: 3800400 14.5586 -136.414 -21.6193 -136.414 152.095 -150.512 -21.6192 -150.511 -195.666 GPRESSURE: 3800400 22.5639 -157.972 -27.9356 -45.4929 160.895 -153.153 -39.6589 -138.608 -114.905 PRESSAVG: 3800400 71.897 -44.7848 24.3418 -44.7848 -26.3115 -20.8572 24.3418 -20.8573 -29.0117 GPRESSAVG: 3800400 71.7837 -46.4194 23.9065 -42.8377 -26.0603 -20.7237 24.1577 -21.1616 -29.6243 TIMING: 3800400 CPU: 11388.2, 0.00307178/step Wall: 11388.2, 0.00307178/step, 1.02359 hours remaining, 205.945312 MB of memory in use. ENERGY: 3800400 771.8398 2105.2358 1941.3278 108.4455 -206301.4261 18016.6176 0.0000 0.0000 34058.5658 -149299.3938 297.4419 -183357.9596 -149210.4817 299.0735 -9.6709 22.8514 558615.2926 5.5246 5.3664 PRESSURE: 3800600 51.2336 33.656 106.878 33.6575 20.3321 -19.6007 106.878 -19.601 234.975 GPRESSURE: 3800600 111.895 84.949 33.015 12.0382 78.6235 -37.6429 168.328 13.6323 217.708 PRESSAVG: 3800600 -5.73845 -8.82358 6.65393 -8.82357 -2.7188 14.0044 6.65395 14.0044 -24.8552 GPRESSAVG: 3800600 -5.81831 -9.65555 7.34891 -10.2947 -1.41262 13.5691 7.61347 14.7177 -26.1048 TIMING: 3800600 CPU: 11388.8, 0.00302042/step Wall: 11388.8, 0.00302042/step, 1.0063 hours remaining, 205.945312 MB of memory in use. ENERGY: 3800600 744.8139 2101.8281 1957.5906 122.9687 -206473.9832 17994.7989 0.0000 0.0000 34260.3775 -149291.6056 299.2044 -183551.9831 -149197.7764 299.0568 102.1803 136.0756 557274.1370 -11.1042 -11.1119 PRESSURE: 3800800 4.1501 54.6869 71.4808 54.6855 -98.2942 -20.7228 71.4793 -20.7216 195.707 GPRESSURE: 3800800 -3.12026 74.2348 80.1384 41.3541 -49.7272 -87.7448 -21.1139 21.1726 257.223 PRESSAVG: 3800800 28.4158 11.9028 3.56745 11.9028 12.8786 -9.45283 3.56745 -9.45292 -5.4378 GPRESSAVG: 3800800 27.6111 12.2506 3.28487 11.5284 11.17 -10.0954 2.92313 -8.65168 -3.45475 TIMING: 3800800 CPU: 11389.4, 0.00303092/step Wall: 11389.4, 0.00303092/step, 1.00963 hours remaining, 205.945312 MB of memory in use. ENERGY: 3800800 754.6749 2122.0678 1961.4127 113.4479 -206606.1308 17930.9961 0.0000 0.0000 34279.5479 -149443.9835 299.3718 -183723.5314 -149347.7524 299.3846 33.8543 68.1252 557174.6372 11.9522 11.7755 PRESSURE: 3801000 237.055 125.412 -15.8615 125.413 241.555 -15.9398 -15.8611 -15.9403 184.929 GPRESSURE: 3801000 281.986 97.1907 2.10405 186.513 242.854 -104.004 -38.4282 -30.8924 248.289 PRESSAVG: 3801000 -91.0535 -14.9868 -19.379 -14.9868 -44.6724 18.0346 -19.379 18.0345 102.227 GPRESSAVG: 3801000 -89.3806 -13.6529 -17.8741 -14.8156 -44.6985 18.9427 -21.0454 17.1051 101.396 TIMING: 3801000 CPU: 11390, 0.00301408/step Wall: 11390, 0.00301408/step, 1.00385 hours remaining, 205.945312 MB of memory in use. ENERGY: 3801000 737.1613 2106.4595 1933.2380 104.7941 -206604.6492 18022.2755 0.0000 0.0000 34267.9333 -149432.7876 299.2704 -183700.7209 -149338.6461 299.1658 221.1795 257.7096 556678.0184 -11.1662 -10.8944 PRESSURE: 3801200 -133.799 -98.0022 -227.959 -98.0027 223.162 -10.7871 -227.959 -10.7883 -55.1615 GPRESSURE: 3801200 -120.001 -131.459 -264.322 -78.5552 264.882 0.568687 -271.735 -27.2737 -4.74137 PRESSAVG: 3801200 -80.1906 -5.64419 -34.4719 -5.6442 61.3721 -35.1196 -34.4719 -35.1197 10.4472 GPRESSAVG: 3801200 -81.3755 -7.90124 -35.041 -6.04538 61.8327 -34.9961 -32.0366 -36.561 10.9679 TIMING: 3801200 CPU: 11390.6, 0.00302359/step Wall: 11390.6, 0.00302359/step, 1.00685 hours remaining, 205.945312 MB of memory in use. ENERGY: 3801200 722.8712 2157.7133 1929.5396 115.6152 -206606.1436 17975.7214 0.0000 0.0000 34181.1638 -149523.5191 298.5126 -183704.6828 -149422.8188 298.9234 11.4004 46.7130 557506.6896 -2.7905 -2.8583 PRESSURE: 3801400 -154.255 -7.83755 144.508 -7.83857 -65.9788 72.6042 144.508 72.6038 -232.649 GPRESSURE: 3801400 -93.6662 -94.3866 190.286 -54.2713 -90.0892 80.2908 60.7745 119.018 -174.258 PRESSAVG: 3801400 -4.57119 -32.0428 -50.8816 -32.0429 17.8187 10.131 -50.8815 10.131 11.0128 GPRESSAVG: 3801400 -4.20045 -32.7735 -51.7341 -30.7395 18.23 8.72587 -49.7012 11.9798 10.9254 TIMING: 3801400 CPU: 11391.2, 0.00301882/step Wall: 11391.2, 0.00301882/step, 1.0051 hours remaining, 205.945312 MB of memory in use. ENERGY: 3801400 741.0913 2137.3910 1908.6166 118.6493 -206609.3886 17774.7832 0.0000 0.0000 34278.4149 -149650.4423 299.3619 -183928.8572 -149551.8250 298.7433 -150.9611 -119.3379 556661.3714 8.0868 8.3183 PRESSURE: 3801600 -29.1043 14.5371 -106.781 14.5357 -260.618 2.76198 -106.783 2.76142 -132.155 GPRESSURE: 3801600 9.05423 16.1588 -90.9106 6.0428 -201.163 61.0493 -51.877 -3.60481 -121.422 PRESSAVG: 3801600 5.10884 32.4114 -21.8319 32.4115 26.8296 7.67879 -21.8319 7.67875 -28.3321 GPRESSAVG: 3801600 4.35547 33.8054 -21.877 31.2178 26.4864 9.12267 -23.6371 7.31037 -27.3909 TIMING: 3801600 CPU: 11391.8, 0.00302301/step Wall: 11391.8, 0.00302301/step, 1.00633 hours remaining, 206.011719 MB of memory in use. ENERGY: 3801600 775.7174 2125.7293 1957.8128 103.4145 -206308.3152 17659.3913 0.0000 0.0000 34142.3781 -149543.8719 298.1739 -183686.2500 -149443.8466 297.7115 -140.6258 -104.5100 557690.7650 1.2021 1.1503 PRESSURE: 3801800 162.851 -118.409 66.1543 -118.408 -32.3833 10.171 66.1549 10.1711 -74.3158 GPRESSURE: 3801800 256.242 -71.2479 80.606 -134.427 -28.6161 22.5929 49.6245 44.6786 -60.5443 PRESSAVG: 3801800 17.7843 -72.363 -2.11834 -72.3631 -44.9978 12.9553 -2.11836 12.9554 28.9353 GPRESSAVG: 3801800 18.6835 -71.808 -1.75387 -73.1887 -45.5956 13.7878 -0.560798 12.8624 28.6787 TIMING: 3801800 CPU: 11392.5, 0.00304035/step Wall: 11392.5, 0.00304035/step, 1.01193 hours remaining, 206.011719 MB of memory in use. ENERGY: 3801800 729.8671 2102.9513 1956.5816 114.9005 -206688.5026 17915.0127 0.0000 0.0000 34306.3569 -149562.8326 299.6059 -183869.1895 -149463.0199 298.4534 18.7174 55.6939 558673.6971 0.5739 0.5889 PRESSURE: 3802000 209.926 -171.323 -183.996 -171.323 34.3214 -72.0021 -183.997 -72.0015 -1.18335 GPRESSURE: 3802000 251.614 -205.698 -280.002 -110.949 8.71284 -119.933 -74.0641 -34.5589 83.9911 PRESSAVG: 3802000 16.5522 -16.4234 66.5403 -16.4234 2.20562 -13.2265 66.5402 -13.2266 -17.718 GPRESSAVG: 3802000 15.4888 -18.1865 65.8565 -17.4571 3.8217 -15.0719 64.0944 -13.576 -17.9913 TIMING: 3802000 CPU: 11393.1, 0.0030209/step Wall: 11393.1, 0.0030209/step, 1.00529 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: 3802000 735.5367 2082.8286 1938.1481 122.9971 -206752.3658 18089.3676 0.0000 0.0000 34182.9064 -149600.5813 298.5278 -183783.4876 -149504.5608 298.4036 81.0214 114.7728 557974.1347 0.3466 0.4397 PRESSURE: 3802200 -214.127 -79.0324 -108.51 -79.0322 -208.681 28.3901 -108.509 28.3923 -110.106 GPRESSURE: 3802200 -165.072 36.3483 -161.447 -121.63 -173.446 14.9701 -164.119 34.1474 -103.698 PRESSAVG: 3802200 28.7442 -50.2106 -43.5714 -50.2106 -47.2392 -23.4081 -43.5714 -23.4081 9.84327 GPRESSAVG: 3802200 29.2948 -48.4388 -44.5379 -49.1408 -47.1149 -24.1327 -42.9507 -22.2588 9.40733 TIMING: 3802200 CPU: 11393.7, 0.00301292/step Wall: 11393.7, 0.00301292/step, 1.00247 hours remaining, 206.011719 MB of memory in use. ENERGY: 3802200 757.1288 2070.9145 1967.1609 118.8021 -206471.5400 17812.8084 0.0000 0.0000 34062.0039 -149682.7214 297.4720 -183744.7253 -149584.2038 298.7125 -177.6378 -147.4052 557985.5384 -2.8839 -2.8042 PRESSURE: 3802400 182.024 -95.1639 -155.556 -95.1628 -208.125 70.5153 -155.556 70.5147 184.71 GPRESSURE: 3802400 220.032 -162.256 -156.795 -16.2824 -167.115 43.4593 -139.699 84.2112 193.383 PRESSAVG: 3802400 57.9848 -9.6135 -60.2269 -9.6136 -80.3013 62.0912 -60.2268 62.0911 21.9895 GPRESSAVG: 3802400 59.4857 -11.3368 -60.9458 -8.16707 -82.3012 63.8014 -59.7747 61.2024 22.595 TIMING: 3802400 CPU: 11394.3, 0.00300588/step Wall: 11394.3, 0.00300588/step, 0.999955 hours remaining, 206.011719 MB of memory in use. ENERGY: 3802400 718.3019 2075.4645 1974.7529 123.0481 -206735.7414 17992.1498 0.0000 0.0000 34166.1059 -149685.9183 298.3811 -183852.0242 -149589.4502 298.7873 52.8696 82.1000 557281.4367 -0.1090 -0.0735 PRESSURE: 3802600 -82.8218 -189.563 -14.9329 -189.564 89.5004 -67.3938 -14.9323 -67.3947 84.1441 GPRESSURE: 3802600 -26.3166 -160.909 11.99 -139.026 79.2527 -53.0834 39.9719 -68.0858 153.73 PRESSAVG: 3802600 72.7682 -47.0448 4.79327 -47.0447 -17.2037 25.0691 4.79322 25.0691 -32.3996 GPRESSAVG: 3802600 72.0833 -45.9923 7.01123 -47.6263 -16.344 25.0015 5.04178 24.7118 -32.4796 TIMING: 3802600 CPU: 11394.9, 0.00299567/step Wall: 11394.9, 0.00299567/step, 0.996394 hours remaining, 206.011719 MB of memory in use. ENERGY: 3802600 753.5867 2104.9938 1965.5376 103.4673 -206671.0932 17851.2867 0.0000 0.0000 34340.5452 -149551.6759 299.9045 -183892.2211 -149451.7232 298.6514 30.2742 68.8889 555399.0985 7.7216 7.7532 PRESSURE: 3802800 62.3983 139.032 -48.8834 139.032 -285.911 -39.3453 -48.8834 -39.3452 -378.63 GPRESSURE: 3802800 32.3023 133.607 -17.6376 107.435 -233.219 -35.7186 -152.517 -44.2405 -299.432 PRESSAVG: 3802800 -10.4706 5.57867 8.44375 5.57853 47.5543 40.2742 8.44374 40.2741 10.9788 GPRESSAVG: 3802800 -10.4712 5.89315 6.1248 2.53075 47.4352 39.4123 8.64769 39.466 10.7096 TIMING: 3802800 CPU: 11395.5, 0.00303089/step Wall: 11395.5, 0.00303089/step, 1.00794 hours remaining, 206.011719 MB of memory in use. ENERGY: 3802800 755.6166 2031.9767 1937.0891 128.2310 -206241.8570 17590.3675 0.0000 0.0000 34341.7059 -149456.8701 299.9147 -183798.5760 -149355.1094 299.6065 -200.7144 -166.7829 557414.0218 16.0208 15.8912 PRESSURE: 3803000 68.9332 15.1192 200.477 15.1182 -232.535 87.6117 200.476 87.6127 -95.9412 GPRESSURE: 3803000 80.4434 1.39936 223.907 -37.8999 -124.17 108.305 132.415 120.621 -125.067 PRESSAVG: 3803000 18.0303 -4.37379 7.72941 -4.37377 35.3359 10.6678 7.7294 10.6678 -16.95 GPRESSAVG: 3803000 17.3748 -5.42793 9.43675 -2.31624 35.0636 10.7439 7.28248 9.39129 -16.5227 TIMING: 3803000 CPU: 11396.1, 0.00304284/step Wall: 11396.1, 0.00304284/step, 1.01175 hours remaining, 206.011719 MB of memory in use. ENERGY: 3803000 763.4821 2097.8218 1925.7834 128.1318 -206020.5983 17653.8906 0.0000 0.0000 34094.1426 -149357.3459 297.7526 -183451.4885 -149260.3844 298.6445 -86.5144 -56.2648 558123.0516 12.1388 11.9719 PRESSURE: 3803200 -278.284 -26.2019 153.907 -26.2005 152.512 -81.2589 153.908 -81.2584 -194.639 GPRESSURE: 3803200 -201.662 -130.773 148.356 -10.1183 161.223 -41.0277 124.038 -78.5741 -189.531 PRESSAVG: 3803200 83.9424 -24.9846 52.1943 -24.9847 -36.1608 -29.3085 52.1943 -29.3084 -69.3354 GPRESSAVG: 3803200 83.2944 -25.099 52.8477 -22.9188 -34.6951 -29.8864 51.2493 -27.0084 -70.1246 TIMING: 3803200 CPU: 11396.7, 0.00302722/step Wall: 11396.7, 0.00302722/step, 1.00638 hours remaining, 206.011719 MB of memory in use. ENERGY: 3803200 745.3134 2060.8768 1961.8632 110.8196 -205598.2150 17341.8613 0.0000 0.0000 34006.5729 -149370.9078 296.9879 -183377.4807 -149281.2379 298.8318 -106.8036 -76.6566 557314.6300 -7.1846 -7.1751 PRESSURE: 3803400 140.026 -16.6005 -137.924 -16.6019 178.626 43.0354 -137.924 43.0361 -70.6921 GPRESSURE: 3803400 189.545 87.8756 -80.3659 -37.8746 148.43 -57.3672 -142.642 78.6261 18.9635 PRESSAVG: 3803400 -4.68462 -40.4669 -70.9519 -40.4669 -10.7682 7.94467 -70.9518 7.94465 -6.55116 GPRESSAVG: 3803400 -3.84454 -40.5062 -73.7302 -41.2361 -11.6119 8.77845 -67.6331 5.63096 -6.20728 TIMING: 3803400 CPU: 11397.3, 0.00302741/step Wall: 11397.3, 0.00302741/step, 1.00628 hours remaining, 206.011719 MB of memory in use. ENERGY: 3803400 724.1869 2078.2608 1951.3275 113.9126 -206493.9236 17765.1986 0.0000 0.0000 34135.2427 -149725.7945 298.1116 -183861.0372 -149621.1711 297.5439 82.6535 118.9794 557014.9019 -7.3347 -7.2212 PRESSURE: 3803600 0.882253 -38.5954 273.867 -38.5944 7.07988 98.0873 273.866 98.0875 -79.2921 GPRESSURE: 3803600 -22.3459 -103.008 231.885 22.9431 72.6514 73.5492 279.675 157.148 -16.656 PRESSAVG: 3803600 42.1483 -75.0191 -5.24813 -75.0191 7.16951 -2.34995 -5.24803 -2.34999 -24.547 GPRESSAVG: 3803600 41.338 -73.7985 -3.76016 -77.2006 7.44286 -1.88172 -7.29898 -2.25247 -23.9958 TIMING: 3803600 CPU: 11397.9, 0.00301154/step Wall: 11397.9, 0.00301154/step, 1.00084 hours remaining, 206.011719 MB of memory in use. ENERGY: 3803600 754.3499 2080.7753 1941.3250 103.4096 -206496.0261 17864.7508 0.0000 0.0000 34115.9366 -149635.4790 297.9430 -183751.4155 -149540.9193 297.6552 -23.7766 11.2165 556375.4939 8.2569 8.2617 PRESSURE: 3803800 -129.656 13.7201 0.380099 13.7211 -63.7561 70.8411 0.379803 70.841 -89.2353 GPRESSURE: 3803800 -115.622 158.605 -55.9599 -14.3047 -44.7499 77.5947 58.5908 124.13 -22.4558 PRESSAVG: 3803800 -66.2518 -34.9423 -9.70095 -34.9423 0.317112 -18.1628 -9.70099 -18.163 81.8777 GPRESSAVG: 3803800 -65.0083 -35.7204 -10.6456 -33.1028 -1.82949 -20.9184 -10.5762 -16.9958 82.2529 TIMING: 3803800 CPU: 11398.5, 0.00302791/step Wall: 11398.5, 0.00302791/step, 1.00611 hours remaining, 206.011719 MB of memory in use. ENERGY: 3803800 709.4076 2105.8446 1938.5840 105.3172 -205893.4551 17467.3061 0.0000 0.0000 34037.5906 -149529.4050 297.2587 -183566.9956 -149438.7674 297.6895 -94.2159 -60.9425 556768.0491 5.3143 5.1384 PRESSURE: 3804000 -148.826 37.3966 51.3666 37.3984 90.5117 -4.06602 51.3671 -4.06528 119.638 GPRESSURE: 3804000 -121.915 124.534 8.46992 -20.4645 127.593 10.2203 36.9416 69.5509 163.629 PRESSAVG: 3804000 -34.5732 -16.5214 9.13299 -16.5214 53.4778 -28.995 9.13299 -28.995 -16.3254 GPRESSAVG: 3804000 -33.8646 -15.1948 10.2341 -18.963 55.15 -27.9748 9.93066 -27.7782 -17.9487 TIMING: 3804000 CPU: 11399.1, 0.00304417/step Wall: 11399.1, 0.00304417/step, 1.01134 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: 3804000 739.0728 2104.0211 1953.1560 118.4238 -206209.7042 17702.6483 0.0000 0.0000 34232.6701 -149359.7120 298.9624 -183592.3821 -149266.2611 298.5279 20.4412 56.4356 555953.2199 0.8597 1.1123 PRESSURE: 3804200 -16.8313 -17.2487 -82.1988 -17.2478 -185.196 -54.3743 -82.1978 -54.3748 -221.542 GPRESSURE: 3804200 -4.05593 -44.639 -88.2818 8.72409 -187.705 -54.0374 -88.3028 -79.0543 -130.884 PRESSAVG: 3804200 -17.2672 -21.0833 -22.9202 -21.0833 -27.994 3.34562 -22.9201 3.3457 10.9558 GPRESSAVG: 3804200 -17.4306 -21.8926 -23.9967 -19.4262 -28.6156 3.9688 -22.2718 0.780688 11.4112 TIMING: 3804200 CPU: 11399.7, 0.00303008/step Wall: 11399.7, 0.00303008/step, 1.00649 hours remaining, 206.011719 MB of memory in use. ENERGY: 3804200 760.8345 2087.7330 1930.3922 103.2264 -205861.5179 17588.7232 0.0000 0.0000 34161.3676 -149229.2411 298.3397 -183390.6087 -149134.9407 298.9441 -141.1897 -107.5481 557560.8978 -11.4351 -11.5450 LDB: ============= START OF LOAD BALANCING ============== 11403.1 LDB: ============== END OF LOAD BALANCING =============== 11403.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11403.1 LDB: ============= START OF LOAD BALANCING ============== 11403.4 LDB: Largest compute 4820 load 0.021433 is 18.2% of average load 0.118060 LDB: Average compute 0.001728 is 1.5% of average load 0.118060 LDB: TIME 11403.4 LOAD: AVG 0.11806 MAX 0.215559 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.434 MB LDB: TIME 11403.4 LOAD: AVG 0.11806 MAX 0.215559 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.438 MB LDB: TIME 11403.4 LOAD: AVG 0.11806 MAX 0.215559 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.438 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11403.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11403.5 PRESSURE: 3804400 106.679 -162.019 88.0583 -162.019 -305.694 -53.6946 88.0575 -53.6945 -213.168 GPRESSURE: 3804400 102.035 -161.624 102.261 -91.1212 -203.641 -39.9819 102.285 -25.4183 -212.851 PRESSAVG: 3804400 22.5404 1.01474 -25.3819 1.01469 30.5223 -33.3508 -25.382 -33.3508 -50.2626 GPRESSAVG: 3804400 21.5775 0.404929 -24.5006 1.50148 31.1257 -32.711 -25.2274 -30.8116 -50.0533 TIMING: 3804400 CPU: 11400.3, 0.00308519/step Wall: 11400.3, 0.00308519/step, 1.02463 hours remaining, 206.203125 MB of memory in use. ENERGY: 3804400 741.0498 2020.3428 1940.2068 110.7623 -206010.8903 17678.4058 0.0000 0.0000 34389.5151 -149130.6078 300.3322 -183520.1229 -149034.1177 299.3612 -137.3942 -104.8192 556996.5352 0.9334 0.8833 PRESSURE: 3804600 194.548 -8.24707 -77.7369 -8.24762 -122.523 123.234 -77.737 123.234 -52.453 GPRESSURE: 3804600 211.002 -22.1786 -100.367 -82.5487 -84.0658 155.469 -104.475 64.9656 -9.77644 PRESSAVG: 3804600 -16.4197 30.644 22.0499 30.6441 10.3256 69.6184 22.0499 69.6183 -10.0156 GPRESSAVG: 3804600 -15.9739 29.7626 19.8209 30.8738 11.2766 69.3098 22.4029 68.5083 -10.9294 TIMING: 3804600 CPU: 11400.9, 0.00303033/step Wall: 11400.9, 0.00303033/step, 1.00624 hours remaining, 206.203125 MB of memory in use. ENERGY: 3804600 744.7455 2078.6565 1917.1275 100.8357 -206295.8376 17737.6062 0.0000 0.0000 34451.7878 -149265.0783 300.8760 -183716.8661 -149164.0343 299.4249 6.5239 39.0534 556495.2430 -5.3699 -5.2089 PRESSURE: 3804800 -158.639 -85.2533 -98.5668 -85.2522 283.234 -9.25795 -98.5678 -9.25796 4.22638 GPRESSURE: 3804800 -99.2468 -42.0657 -46.9869 -33.9959 284.646 -42.5732 -186.279 63.5171 49.6017 PRESSAVG: 3804800 7.68069 20.1161 -4.40381 20.116 3.31553 4.27757 -4.40376 4.27741 6.30546 GPRESSAVG: 3804800 7.13065 21.9528 -2.48635 19.8577 2.19091 4.37826 -5.37224 3.5708 8.06082 TIMING: 3804800 CPU: 11401.5, 0.00305523/step Wall: 11401.5, 0.00305523/step, 1.01434 hours remaining, 206.203125 MB of memory in use. ENERGY: 3804800 727.3285 2114.6680 1976.8299 118.7690 -205893.9558 17824.9122 0.0000 0.0000 33999.4325 -149132.0156 296.9255 -183131.4481 -149036.2012 299.2269 42.9405 78.3337 556669.7641 5.7672 5.7941 PRESSURE: 3805000 133.786 -2.30684 54.7879 -2.30584 -110.234 32.3455 54.7879 32.3464 -26.3276 GPRESSURE: 3805000 186.825 46.4783 -9.45481 -33.575 -57.7018 55.4262 133.709 83.9716 -31.0812 PRESSAVG: 3805000 -51.0036 9.31592 -1.76799 9.31595 67.3858 -16.1735 -1.768 -16.1736 -50.9371 GPRESSAVG: 3805000 -50.1569 8.5435 -2.51965 9.2476 67.0252 -16.8641 -0.872944 -15.2179 -51.506 TIMING: 3805000 CPU: 11402.1, 0.00302066/step Wall: 11402.1, 0.00302066/step, 1.00269 hours remaining, 206.203125 MB of memory in use. ENERGY: 3805000 716.0210 2068.5246 1932.5991 105.4744 -205925.3349 17657.9828 0.0000 0.0000 34087.1714 -149357.5616 297.6917 -183444.7330 -149269.5744 299.1796 -0.9251 32.6805 558081.2965 -11.5183 -11.5459 PRESSURE: 3805200 -17.6455 -80.2458 -86.7624 -80.2452 -0.536995 196.125 -86.7633 196.123 -223.821 GPRESSURE: 3805200 22.0049 -40.0798 -140.503 -79.2573 22.5172 242.018 -66.689 155.906 -185.681 PRESSAVG: 3805200 70.6835 40.8455 2.92901 40.8454 6.96619 5.70203 2.92904 5.70198 -92.3052 GPRESSAVG: 3805200 69.5169 40.0343 3.37942 40.072 7.43643 8.5163 1.7572 5.69218 -91.7357 TIMING: 3805200 CPU: 11402.8, 0.00302421/step Wall: 11402.8, 0.00302421/step, 1.0037 hours remaining, 206.203125 MB of memory in use. ENERGY: 3805200 770.7044 2054.4831 1942.1079 115.9079 -206112.2123 17567.4095 0.0000 0.0000 34263.8289 -149397.7707 299.2345 -183661.5996 -149304.2433 298.3262 -80.6678 -47.0531 557331.3707 -4.8852 -4.9275 PRESSURE: 3805400 45.6962 -225.662 -54.2485 -225.661 -151.662 66.1341 -54.2495 66.1363 -75.5199 GPRESSURE: 3805400 15.3626 -294.231 -100.453 -128.29 -94.9645 61.2958 -21.6011 93.3621 -17.2968 PRESSAVG: 3805400 -46.5535 31.1496 -28.3928 31.1496 37.6682 123.566 -28.3929 123.566 -17.8657 GPRESSAVG: 3805400 -46.0491 31.4394 -29.9586 30.5878 37.2872 122.069 -26.4557 122.596 -17.763 TIMING: 3805400 CPU: 11403.4, 0.00303384/step Wall: 11403.4, 0.00303384/step, 1.00673 hours remaining, 206.203125 MB of memory in use. ENERGY: 3805400 755.8523 2096.2688 1948.4659 114.8010 -206086.7119 17699.0748 0.0000 0.0000 34174.0865 -149298.1626 298.4508 -183472.2491 -149204.8174 298.4991 -60.4953 -32.2995 557425.7856 -8.9170 -8.8416 PRESSURE: 3805600 241.156 152.721 56.1089 152.72 -58.7513 30.3916 56.1086 30.3922 -139.411 GPRESSURE: 3805600 284.854 164.449 50.5497 107.128 -86.5928 67.8863 88.8668 29.1461 -60.0071 PRESSAVG: 3805600 -25.4813 -32.243 -32.3868 -32.2429 8.89997 5.03662 -32.3868 5.03673 20.5225 GPRESSAVG: 3805600 -25.9841 -28.4573 -31.5256 -32.6121 8.97897 5.28051 -34.6818 4.39705 21.2752 TIMING: 3805600 CPU: 11404, 0.00300908/step Wall: 11404, 0.00300908/step, 0.998345 hours remaining, 206.203125 MB of memory in use. ENERGY: 3805600 718.5754 2106.0585 1930.5679 124.6139 -206348.7362 17907.1689 0.0000 0.0000 34193.7982 -149367.9534 298.6229 -183561.7516 -149278.9170 298.9318 14.3312 46.0846 556619.3970 1.3137 1.4234 PRESSURE: 3805800 357.48 70.542 -49.7676 70.5402 -207.491 -155.748 -49.7678 -155.747 -24.4567 GPRESSURE: 3805800 376.576 116.541 -53.8247 26.2474 -124.578 -227.616 -56.6242 -136.168 -14.7576 PRESSAVG: 3805800 74.65 -29.1443 8.78251 -29.1443 26.1549 23.3744 8.78251 23.3745 -62.7165 GPRESSAVG: 3805800 75.7632 -33.6148 9.32151 -27.9262 26.8759 22.5894 9.90174 23.9285 -64.3374 TIMING: 3805800 CPU: 11404.6, 0.00304825/step Wall: 11404.6, 0.00304825/step, 1.01117 hours remaining, 206.203125 MB of memory in use. ENERGY: 3805800 743.9471 2060.8854 1930.6850 110.3028 -206017.2118 17855.6011 0.0000 0.0000 34042.7097 -149273.0808 297.3035 -183315.7905 -149179.2377 298.7495 41.8442 79.0801 556158.9424 12.6961 12.7672 PRESSURE: 3806000 79.4658 -91.5577 20.5388 -91.5575 23.9284 -113.733 20.538 -113.732 -151.526 GPRESSURE: 3806000 97.7027 -93.2009 105.806 -118.676 56.9168 -182.639 -56.1667 -165.141 -98.8428 PRESSAVG: 3806000 34.705 -26.3919 -2.42801 -26.392 -27.1088 6.68966 -2.42806 6.68958 55.2487 GPRESSAVG: 3806000 34.2982 -24.4312 -1.50384 -26.3997 -26.4793 6.82388 -2.68409 6.88767 54.9757 TIMING: 3806000 CPU: 11405.2, 0.00305052/step Wall: 11405.2, 0.00305052/step, 1.01176 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: 3806000 748.3658 2120.3485 1927.0191 98.3155 -206124.3906 17797.5653 0.0000 0.0000 34400.0734 -149032.7029 300.4244 -183432.7763 -148937.8372 300.3241 -16.0439 18.5922 558150.3184 20.9483 20.9315 PRESSURE: 3806200 212.308 -77.3193 47.4347 -77.3188 -25.0226 -156.446 47.434 -156.448 -32.8955 GPRESSURE: 3806200 261.59 -158.217 43.8335 -35.8821 -19.7259 -183.635 45.3109 -93.2099 18.7509 PRESSAVG: 3806200 -22.8264 -12.5678 7.6012 -12.5677 18.2691 -48.3442 7.60135 -48.3443 -2.5278 GPRESSAVG: 3806200 -23.7195 -14.7183 8.28535 -10.9303 16.91 -46.6635 6.25831 -49.2748 -0.22892 TIMING: 3806200 CPU: 11405.8, 0.00303779/step Wall: 11405.8, 0.00303779/step, 1.00736 hours remaining, 206.203125 MB of memory in use. ENERGY: 3806200 778.3445 2096.8259 1901.2891 104.5716 -206355.1495 17911.0721 0.0000 0.0000 34405.6329 -149157.4134 300.4729 -183563.0463 -149060.7664 299.3114 51.4634 86.8715 557101.0499 -2.3617 -2.3461 PRESSURE: 3806400 77.1232 -60.6314 32.9416 -60.6318 66.9776 31.3415 32.9428 31.341 -54.9469 GPRESSURE: 3806400 76.7217 -30.1488 -38.8873 -28.9268 124.703 74.0142 64.0425 -19.3595 -12.1923 PRESSAVG: 3806400 38.7347 -40.3387 5.77722 -40.3387 -16.0463 5.83243 5.77722 5.83235 19.8489 GPRESSAVG: 3806400 38.8905 -39.3597 3.04601 -42.506 -15.9306 4.14325 8.12307 7.84401 19.802 TIMING: 3806400 CPU: 11406.4, 0.00307586/step Wall: 11406.4, 0.00307586/step, 1.01982 hours remaining, 206.203125 MB of memory in use. ENERGY: 3806400 749.4502 2111.9299 1915.4956 112.6265 -206170.6792 17747.3520 0.0000 0.0000 34304.4295 -149229.3956 299.5891 -183533.8251 -149137.4062 299.0210 29.7180 63.0776 557374.0608 14.1791 14.2539 PRESSURE: 3806600 -492.971 -23.2208 -131.369 -23.2196 -293.283 122.435 -131.371 122.433 -139.26 GPRESSURE: 3806600 -489.518 -109.217 -186.782 -24.2431 -248.304 133.608 -121.175 163.268 -82.6371 PRESSAVG: 3806600 24.3909 11.5622 -4.17907 11.5623 -8.63248 18.6122 -4.17918 18.6122 -52.9288 GPRESSAVG: 3806600 25.8 12.5979 -3.83572 11.532 -9.08619 18.2499 -3.94721 18.7058 -54.1095 TIMING: 3806600 CPU: 11407, 0.00304672/step Wall: 11407, 0.00304672/step, 1.00999 hours remaining, 206.203125 MB of memory in use. ENERGY: 3806600 751.3639 2092.9862 1925.1772 110.6831 -205448.6009 17192.5261 0.0000 0.0000 34177.7426 -149198.1218 298.4827 -183375.8643 -149105.1503 298.4222 -308.5046 -273.4863 559464.1164 -12.3902 -12.4652 PRESSURE: 3806800 -232.162 -65.8644 151.094 -65.865 -86.9949 82.0146 151.095 82.0143 -19.7082 GPRESSURE: 3806800 -188.698 -62.3555 90.7446 -129.777 -60.5876 100.54 100.651 121.21 8.94284 PRESSAVG: 3806800 -17.3503 -42.9542 22.1364 -42.9542 -1.04221 -10.8736 22.1364 -10.8737 13.0094 GPRESSAVG: 3806800 -18.2191 -42.2415 22.8576 -42.2476 -0.881329 -10.8424 20.1855 -11.6764 13.5554 TIMING: 3806800 CPU: 11407.6, 0.00304491/step Wall: 11407.6, 0.00304491/step, 1.00922 hours remaining, 206.203125 MB of memory in use. ENERGY: 3806800 796.3408 2060.6205 1928.4364 114.9693 -205768.1545 17540.9659 0.0000 0.0000 34286.9001 -149039.9216 299.4360 -183326.8216 -148948.2419 299.4294 -112.9550 -80.1141 557919.3391 -1.7943 -1.8483 PRESSURE: 3807000 -73.7188 -24.3399 -231.481 -24.3396 -301.67 111.301 -231.482 111.303 -201.073 GPRESSURE: 3807000 -64.3154 -48.6793 -255.354 -41.8919 -282.752 74.1145 -107.889 159.034 -132.635 PRESSAVG: 3807000 -48.5884 -40.647 -4.16053 -40.6471 -35.2684 9.36393 -4.16051 9.36392 21.712 GPRESSAVG: 3807000 -49.144 -41.8257 -4.60602 -40.9068 -35.3473 9.74888 -2.6402 10.4556 22.0718 TIMING: 3807000 CPU: 11408.2, 0.00307177/step Wall: 11408.2, 0.00307177/step, 1.01795 hours remaining, 206.203125 MB of memory in use. ENERGY: 3807000 753.9749 2112.7715 1977.7756 111.3396 -205473.2002 17405.3968 0.0000 0.0000 34208.7858 -148903.1559 298.7538 -183111.9417 -148800.1691 299.5395 -192.1540 -159.9007 558063.3052 -20.7149 -20.8065 PRESSURE: 3807200 -185.884 100.697 54.7057 100.697 -126.567 182.008 54.7057 182.009 -123.031 GPRESSURE: 3807200 -173.324 46.1611 -43.4602 168.487 -33.356 137.085 -17.0031 239.751 -124.743 PRESSAVG: 3807200 -5.26305 5.45921 -44.4556 5.45919 -29.296 60.4907 -44.4555 60.4908 47.773 GPRESSAVG: 3807200 -4.79743 4.90046 -43.6404 5.87135 -29.306 62.0255 -45.3983 59.8189 47.5078 TIMING: 3807200 CPU: 11408.8, 0.00302908/step Wall: 11408.8, 0.00302908/step, 1.00363 hours remaining, 206.203125 MB of memory in use. ENERGY: 3807200 741.3037 2099.6533 1938.4425 107.1338 -205653.9726 17543.3784 0.0000 0.0000 34317.3184 -148906.7425 299.7017 -183224.0610 -148807.6699 300.3595 -145.1607 -110.4743 557629.1543 4.4047 4.4681 PRESSURE: 3807400 1.91032 -4.49969 -148.669 -4.49909 -173.104 107.026 -148.669 107.025 -122.346 GPRESSURE: 3807400 43.4012 28.4731 -138.619 -42.8204 -133.099 46.7996 -122.156 181.78 -105.558 PRESSAVG: 3807400 -39.1537 24.3353 -19.156 24.3354 -72.9644 50.9789 -19.1559 50.9789 90.0858 GPRESSAVG: 3807400 -38.4951 24.7201 -18.9125 25.2126 -73.5692 51.0999 -19.4308 48.4425 90.0264 TIMING: 3807400 CPU: 11409.5, 0.00305135/step Wall: 11409.5, 0.00305135/step, 1.01084 hours remaining, 206.203125 MB of memory in use. ENERGY: 3807400 748.8498 2082.4025 1978.1692 112.2677 -205795.7866 17601.0909 0.0000 0.0000 34288.4266 -148984.5800 299.4494 -183273.0066 -148885.1635 300.4668 -97.8465 -65.0851 559082.9324 -7.3441 -7.3460 PRESSURE: 3807600 -133.941 93.1081 -47.5554 93.1089 -201.69 92.4729 -47.5557 92.4724 -232.791 GPRESSURE: 3807600 -86.8475 105.884 -44.4061 48.5534 -154.019 59.5426 14.3189 135.221 -226.372 PRESSAVG: 3807600 -35.0572 14.2175 19.9776 14.2174 -19.6358 -23.0152 19.9776 -23.0153 24.0771 GPRESSAVG: 3807600 -35.2655 15.7167 18.5266 12.6404 -19.7037 -25.3017 21.9517 -20.251 23.4822 TIMING: 3807600 CPU: 11410.1, 0.00302843/step Wall: 11410.1, 0.00302843/step, 1.00308 hours remaining, 206.203125 MB of memory in use. ENERGY: 3807600 749.1069 2027.4061 1977.8879 112.2198 -205822.5498 17626.8917 0.0000 0.0000 34299.7570 -149029.2804 299.5483 -183329.0374 -148936.9624 299.6663 -189.4740 -155.7463 559380.0767 -10.2053 -10.4956 PRESSURE: 3807800 -90.608 107.038 -7.34694 107.037 -21.7814 -80.6353 -7.34691 -80.6352 308.811 GPRESSURE: 3807800 -46.3543 48.9216 -46.9307 123.399 38.151 -83.5002 56.4715 -84.1582 305.133 PRESSAVG: 3807800 -35.8518 1.54133 60.8935 1.5413 37.2975 -15.5105 60.8935 -15.5107 24.0846 GPRESSAVG: 3807800 -35.9371 -1.32761 61.0027 1.91273 37.2694 -13.368 60.4893 -15.5539 24.3003 TIMING: 3807800 CPU: 11410.7, 0.00304599/step Wall: 11410.7, 0.00304599/step, 1.00873 hours remaining, 206.203125 MB of memory in use. ENERGY: 3807800 711.5248 2110.1046 1949.0822 105.7392 -206410.1845 17938.4455 0.0000 0.0000 34378.2294 -149217.0586 300.2336 -183595.2880 -149119.9459 300.1551 65.4739 98.9765 557517.4731 8.5101 8.5442 PRESSURE: 3808000 -86.8511 73.4135 19.5077 73.4146 88.4675 -75.2785 19.5069 -75.2792 67.5669 GPRESSURE: 3808000 -37.6034 33.376 16.9426 44.6183 110.506 -52.972 51.8343 -167.092 89.9887 PRESSAVG: 3808000 -15.4225 16.6219 31.7324 16.622 33.2335 46.4268 31.7324 46.4268 2.08998 GPRESSAVG: 3808000 -16.1463 16.3163 32.7163 18.0157 33.8955 46.3054 31.933 45.8266 1.86669 TIMING: 3808000 CPU: 11411.3, 0.00303557/step Wall: 11411.3, 0.00303557/step, 1.00511 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: 3808000 751.6761 2123.9831 1948.3908 115.2442 -206350.3617 17855.4690 0.0000 0.0000 34178.6406 -149376.9578 298.4906 -183555.5984 -149273.0233 298.9495 23.0611 54.2971 556734.1105 6.6336 6.5386 PRESSURE: 3808200 -21.0702 5.83771 35.4757 5.83721 106.723 -129.99 35.4739 -129.99 -167.046 GPRESSURE: 3808200 22.8694 -14.829 42.8446 34.8765 101.733 -149.399 49.5455 -80.6193 -105.152 PRESSAVG: 3808200 -5.80676 27.4709 13.2564 27.471 45.0729 -57.5855 13.2564 -57.5855 -25.1148 GPRESSAVG: 3808200 -5.96755 27.2449 14.2597 27.0737 45.24 -58.675 11.7174 -55.7506 -25.4424 TIMING: 3808200 CPU: 11411.9, 0.00301739/step Wall: 11411.9, 0.00301739/step, 0.998924 hours remaining, 206.203125 MB of memory in use. ENERGY: 3808200 721.2268 2073.8679 1946.5519 104.9851 -206344.5980 17985.1891 0.0000 0.0000 34287.9744 -149224.8030 299.4454 -183512.7773 -149135.4769 298.7267 -27.1310 6.4835 558260.2235 4.7171 4.6100 LDB: ============= START OF LOAD BALANCING ============== 11415.3 LDB: ============== END OF LOAD BALANCING =============== 11415.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11415.3 LDB: ============= START OF LOAD BALANCING ============== 11415.6 LDB: Largest compute 4820 load 0.020752 is 17.6% of average load 0.118128 LDB: Average compute 0.001725 is 1.5% of average load 0.118128 LDB: TIME 11415.6 LOAD: AVG 0.118128 MAX 0.214907 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 11415.6 LOAD: AVG 0.118128 MAX 0.214907 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.66 MB LDB: TIME 11415.6 LOAD: AVG 0.118128 MAX 0.214907 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11415.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11415.6 PRESSURE: 3808400 49.9715 52.2968 129.583 52.2984 51.4867 88.3046 129.583 88.3031 -52.5243 GPRESSURE: 3808400 49.0254 -2.59222 91.3362 125.34 83.5987 128.047 13.3882 149.305 5.00104 PRESSAVG: 3808400 79.3867 20.758 42.6206 20.7581 -2.2776 -10.357 42.6206 -10.3571 -38.1127 GPRESSAVG: 3808400 80.6577 20.2656 39.771 21.9498 -2.88557 -10.4265 44.4363 -11.3786 -38.8927 TIMING: 3808400 CPU: 11412.5, 0.00308301/step Wall: 11412.5, 0.00308301/step, 1.02048 hours remaining, 206.000000 MB of memory in use. ENERGY: 3808400 718.7659 2134.3821 1955.8727 116.3504 -206300.2568 17696.3281 0.0000 0.0000 34345.4516 -149333.1061 299.9474 -183678.5578 -149231.8963 298.9719 16.3113 45.8751 557953.7396 12.9988 12.9598 PRESSURE: 3808600 -121.873 -51.9431 100.333 -51.9442 -38.6362 74.4649 100.334 74.4636 -70.792 GPRESSURE: 3808600 -58.5374 24.6695 111.94 -145.361 -5.70981 206.897 77.1443 2.5715 -84.2661 PRESSAVG: 3808600 -57.1631 -32.4622 42.531 -32.4623 -5.81294 62.3634 42.531 62.3633 14.6697 GPRESSAVG: 3808600 -58.1493 -30.3705 44.0503 -32.6432 -5.7208 62.3892 41.8723 62.8469 15.8163 TIMING: 3808600 CPU: 11413.1, 0.00302954/step Wall: 11413.1, 0.00302954/step, 1.00261 hours remaining, 206.203125 MB of memory in use. ENERGY: 3808600 766.8347 2075.9087 1939.0821 106.0624 -206009.2712 17785.0387 0.0000 0.0000 34105.1645 -149231.1801 297.8489 -183336.3446 -149131.5376 299.1279 -77.1005 -49.5044 559205.9445 -16.1021 -16.0179 PRESSURE: 3808800 -161.766 17.4115 151.661 17.4119 61.9946 21.2419 151.662 21.243 -57.6303 GPRESSURE: 3808800 -126.286 84.2528 127.579 -51.003 73.1694 13.2216 103.422 91.0076 -11.7638 PRESSAVG: 3808800 0.0814551 -38.4601 -20.6461 -38.4602 67.2605 97.9313 -20.646 97.9313 -6.55305 GPRESSAVG: 3808800 0.755848 -38.6258 -21.5049 -39.9379 67.2314 98.5794 -20.6859 96.8 -7.60361 TIMING: 3808800 CPU: 11413.7, 0.00301967/step Wall: 11413.7, 0.00301967/step, 0.999174 hours remaining, 206.203125 MB of memory in use. ENERGY: 3808800 750.5345 2134.6609 1950.9309 111.5180 -206579.0071 18025.6934 0.0000 0.0000 34333.5616 -149272.1078 299.8435 -183605.6694 -149173.5055 299.0748 -52.4674 -21.6268 558518.0134 20.2630 20.1279 PRESSURE: 3809000 -324.241 -169.944 -233.506 -169.944 -359.255 128.226 -233.505 128.224 -146.998 GPRESSURE: 3809000 -222.67 -208.877 -174.895 -232.607 -357.416 63.5491 -198.253 155.028 -150.207 PRESSAVG: 3809000 -8.40744 -36.8401 20.182 -36.8402 26.1458 22.2549 20.182 22.2549 -25.4463 GPRESSAVG: 3809000 -7.80203 -38.0231 21.1968 -34.808 26.2246 21.7921 20.6898 22.5952 -26.2035 TIMING: 3809000 CPU: 11414.3, 0.00298506/step Wall: 11414.3, 0.00298506/step, 0.987558 hours remaining, 206.203125 MB of memory in use. ENERGY: 3809000 748.9941 2109.4183 1935.2725 108.2280 -205579.0197 17407.0014 0.0000 0.0000 34021.2187 -149248.8867 297.1158 -183270.1054 -149151.1121 298.8715 -276.8312 -243.4306 557327.1455 -2.5693 -2.5936 PRESSURE: 3809200 -55.9954 95.8247 2.55628 95.8237 85.5179 7.98661 2.55538 7.98756 -175.053 GPRESSURE: 3809200 -41.4058 -29.8882 136.009 93.3602 132.321 -21.1764 -8.85954 -30.3251 -142.052 PRESSAVG: 3809200 -15.4953 -33.1606 9.4736 -33.1606 37.7929 49.9769 9.47377 49.977 21.8813 GPRESSAVG: 3809200 -16.2779 -33.504 8.26654 -34.2474 37.7129 50.8962 9.98944 50.4888 22.5371 TIMING: 3809200 CPU: 11414.9, 0.00301831/step Wall: 11414.9, 0.00301831/step, 0.998391 hours remaining, 206.203125 MB of memory in use. ENERGY: 3809200 738.5498 2135.0973 1972.5773 119.0365 -206603.0526 17976.9828 0.0000 0.0000 34342.0053 -149318.8037 299.9173 -183660.8090 -149214.2281 299.0514 -48.5101 -17.0457 557488.2673 14.7263 14.6574 PRESSURE: 3809400 -165.746 86.4545 47.6833 86.4549 -120.561 20.994 47.6817 20.9909 -268.421 GPRESSURE: 3809400 -153.63 87.7865 68.8946 31.1208 -53.0863 111.702 30.4815 -113.185 -245.67 PRESSAVG: 3809400 -76.5334 -59.6346 -49.3384 -59.6347 70.5792 -14.4932 -49.3385 -14.4932 -5.76487 GPRESSAVG: 3809400 -77.6055 -58.6179 -46.7563 -59.4753 70.9417 -14.5529 -49.2551 -14.9766 -5.24386 TIMING: 3809400 CPU: 11415.5, 0.00303781/step Wall: 11415.5, 0.00303781/step, 1.00467 hours remaining, 206.203125 MB of memory in use. ENERGY: 3809400 761.4224 2081.5142 1953.1637 120.5513 -206079.1010 17377.2754 0.0000 0.0000 34386.9298 -149398.2443 300.3096 -183785.1741 -149294.7267 298.9254 -184.9094 -150.7956 557343.3131 -3.9063 -3.9692 PRESSURE: 3809600 -143.399 -125.708 85.042 -125.705 9.0876 12.7872 85.0428 12.7891 49.1768 GPRESSURE: 3809600 -91.7512 -96.4657 17.7639 -134.032 -12.6291 -61.8101 134.563 -16.5574 118.554 PRESSAVG: 3809600 61.6997 -47.4882 3.22714 -47.4882 -63.2965 -29.3115 3.22715 -29.3116 -19.9582 GPRESSAVG: 3809600 62.2914 -48.3288 1.27441 -49.2412 -63.5478 -29.08 0.986676 -29.1565 -20.3237 TIMING: 3809600 CPU: 11416.1, 0.00302677/step Wall: 11416.1, 0.00302677/step, 1.00085 hours remaining, 206.203125 MB of memory in use. ENERGY: 3809600 767.1091 2136.8730 1929.6425 106.8758 -206350.4688 17663.2864 0.0000 0.0000 34277.8141 -149468.8678 299.3567 -183746.6820 -149370.9699 299.1156 -28.3781 4.7247 556846.8154 -7.1850 -7.1934 PRESSURE: 3809800 -281.937 -116.841 5.15669 -116.841 29.9792 -7.21235 5.15642 -7.21142 70.0862 GPRESSURE: 3809800 -259.312 -177.345 -11.7493 -92.7695 111.47 -34.766 44.0099 12.8438 70.95 PRESSAVG: 3809800 -16.6285 19.2048 -2.67772 19.2049 19.3181 -13.1267 -2.67775 -13.1267 27.5549 GPRESSAVG: 3809800 -16.3377 20.9533 -2.26302 19.0196 18.8046 -13.3587 0.1886 -13.5461 27.6835 TIMING: 3809800 CPU: 11416.7, 0.00301329/step Wall: 11416.7, 0.00301329/step, 0.996227 hours remaining, 206.203125 MB of memory in use. ENERGY: 3809800 770.1748 2041.1745 1944.7971 110.8161 -206405.3612 17868.6503 0.0000 0.0000 34038.4457 -149631.3027 297.2662 -183669.7484 -149533.3962 298.6020 -60.6238 -25.6307 557178.7870 10.0815 10.0501 PRESSURE: 3810000 -120.535 -13.1108 -31.5806 -13.1111 -201.918 217.214 -31.581 217.214 -29.1228 GPRESSURE: 3810000 -70.3364 -6.34868 25.6521 -15.5597 -136.634 210.046 13.2298 174.652 -42.4073 PRESSAVG: 3810000 6.09321 -13.869 -15.6817 -13.869 -52.1663 -31.1744 -15.6817 -31.1745 55.2711 GPRESSAVG: 3810000 5.89029 -14.8142 -14.4523 -12.1492 -51.7299 -30.2811 -14.9497 -30.2068 55.5074 TIMING: 3810000 CPU: 11417.3, 0.00302474/step Wall: 11417.3, 0.00302474/step, 0.999844 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: 3810000 758.5008 2062.7181 1955.9581 125.5664 -206527.7880 17627.4917 0.0000 0.0000 34293.7512 -149703.8016 299.4959 -183997.5528 -149607.5327 298.3046 -117.1917 -83.1259 556420.7412 3.0660 3.2226 PRESSURE: 3810200 0.060573 -356.805 108.756 -356.804 238.842 157.995 108.756 157.994 -92.4385 GPRESSURE: 3810200 81.2002 -327.866 63.5455 -293.14 223.53 4.46868 76.9316 207.266 -65.7746 PRESSAVG: 3810200 58.2228 -38.7518 55.9588 -38.7518 -3.342 49.1278 55.9588 49.1279 -28.8976 GPRESSAVG: 3810200 58.5593 -39.2535 56.1281 -37.4018 -3.24965 47.8131 54.115 49.0142 -29.6411 TIMING: 3810200 CPU: 11417.9, 0.00306857/step Wall: 11417.9, 0.00306857/step, 1.01416 hours remaining, 206.203125 MB of memory in use. ENERGY: 3810200 741.1812 2123.1751 1951.7963 99.8496 -206443.0708 17797.6349 0.0000 0.0000 34054.5881 -149674.8455 297.4072 -183729.4337 -149581.6906 298.4043 48.8214 79.6518 556847.8423 8.6611 8.5562 PRESSURE: 3810400 30.3089 -78.6921 162.916 -78.6924 -23.7941 188.84 162.915 188.839 -229.367 GPRESSURE: 3810400 57.0396 -131.751 93.8652 -154.214 -24.6533 177.767 222.227 130.003 -157.328 PRESSAVG: 3810400 -8.42775 -9.21769 68.5057 -9.21767 11.7374 48.933 68.5056 48.933 -11.7348 GPRESSAVG: 3810400 -7.90475 -7.63891 67.2944 -11.4149 10.5997 49.4899 69.1295 48.7307 -11.1668 TIMING: 3810400 CPU: 11418.6, 0.00306195/step Wall: 11418.6, 0.00306195/step, 1.0118 hours remaining, 206.203125 MB of memory in use. ENERGY: 3810400 761.4071 2044.8215 1956.0847 117.8409 -206355.6218 17685.8991 0.0000 0.0000 34048.0135 -149741.5551 297.3498 -183789.5686 -149652.0612 297.4948 -74.2842 -41.6471 556721.5084 -2.8084 -2.8239 PRESSURE: 3810600 71.9248 -67.3936 -173.96 -67.3935 110.992 235.224 -173.959 235.225 95.5607 GPRESSURE: 3810600 125.053 -27.8133 -222.89 -40.3432 150.406 238.263 -87.1515 185.866 94.6609 PRESSAVG: 3810600 -13.6609 -3.9627 33.0196 -3.96275 37.8115 95.8716 33.0196 95.8715 -25.8197 GPRESSAVG: 3810600 -13.5124 -3.50286 34.0763 -4.3213 37.336 94.8154 32.8227 95.5522 -25.5793 TIMING: 3810600 CPU: 11419.2, 0.00305968/step Wall: 11419.2, 0.00305968/step, 1.01088 hours remaining, 206.406250 MB of memory in use. ENERGY: 3810600 731.2118 2097.1818 1938.3544 114.1711 -206780.3309 17973.2347 0.0000 0.0000 34075.6428 -149850.5343 297.5911 -183926.1771 -149753.7535 297.6791 92.8258 123.3732 556313.9496 -0.5564 -0.5852 PRESSURE: 3810800 150.965 -38.8346 -32.1627 -38.8332 187.824 366.446 -32.1636 366.444 -69.5336 GPRESSURE: 3810800 185.783 -46.5281 0.814719 74.9075 187.6 358.969 -55.6479 365.252 -3.52348 PRESSAVG: 3810800 -23.0452 -33.6583 1.99001 -33.6583 71.2123 41.2661 1.99001 41.2662 -20.6036 GPRESSAVG: 3810800 -23.8275 -34.6287 3.21313 -32.1002 71.0317 40.9741 -0.691747 40.8578 -19.936 TIMING: 3810800 CPU: 11419.8, 0.0030658/step Wall: 11419.8, 0.0030658/step, 1.01273 hours remaining, 206.406250 MB of memory in use. ENERGY: 3810800 767.5365 2072.0707 1975.5399 113.5528 -206851.5553 18145.2310 0.0000 0.0000 34062.0906 -149715.5337 297.4727 -183777.6243 -149628.0603 298.4110 89.7517 123.2865 556169.7654 9.1878 9.0894 PRESSURE: 3811000 -299.096 -121.023 49.1001 -121.021 -247.497 105.578 49.0995 105.577 -298.702 GPRESSURE: 3811000 -284.08 -123.693 -70.0207 -104.169 -192.806 132.537 80.5173 134.729 -283.73 PRESSAVG: 3811000 -50.7028 -46.4036 -6.92379 -46.4036 44.0868 43.7621 -6.92372 43.762 -8.61321 GPRESSAVG: 3811000 -52.1528 -45.8592 -7.32011 -47.0609 44.0417 44.8707 -6.02336 43.5841 -8.01234 TIMING: 3811000 CPU: 11420.4, 0.00304344/step Wall: 11420.4, 0.00304344/step, 1.00518 hours remaining, 206.406250 MB of memory in use. ENERGY: 3811000 760.3866 2169.7604 1974.6904 116.6190 -206333.8931 17479.7825 0.0000 0.0000 34098.0626 -149734.5916 297.7869 -183832.6542 -149639.7417 298.1129 -281.7648 -253.5384 555947.6580 -5.0764 -5.3745 PRESSURE: 3811200 -102.968 -78.4458 -182.36 -78.4452 -294.53 18.1173 -182.359 18.1165 -41.1893 GPRESSURE: 3811200 -96.6845 -92.3458 -237.364 -170.282 -295.039 -7.96305 -193.045 -65.7447 55.3051 PRESSAVG: 3811200 35.0323 -21.8578 0.0288556 -21.8577 -5.22388 -2.70399 0.0287806 -2.70397 -34.0291 GPRESSAVG: 3811200 36.4408 -23.3102 -2.6232 -21.9093 -4.98488 -3.23117 0.950304 -2.51537 -35.5295 TIMING: 3811200 CPU: 11421, 0.00306467/step Wall: 11421, 0.00306467/step, 1.01202 hours remaining, 206.406250 MB of memory in use. ENERGY: 3811200 758.8736 2135.1466 1941.9539 115.2552 -206314.4939 17588.5137 0.0000 0.0000 33900.5687 -149874.1823 296.0621 -183774.7510 -149778.1979 297.6169 -146.2290 -112.1395 556149.3350 -1.4069 -1.3579 PRESSURE: 3811400 241.625 163.327 126.562 163.329 35.0976 -156.002 126.563 -156.005 98.9029 GPRESSURE: 3811400 259.724 230.503 151.292 117.607 53.3324 -199.669 119.279 -140.79 165.53 PRESSAVG: 3811400 33.4362 -26.3192 -3.49481 -26.3192 25.2536 -81.8641 -3.49485 -81.8641 -51.7696 GPRESSAVG: 3811400 32.9874 -26.4847 -2.93236 -25.7493 26.2931 -82.2383 -2.88655 -80.496 -51.9226 TIMING: 3811400 CPU: 11421.6, 0.00306228/step Wall: 11421.6, 0.00306228/step, 1.01106 hours remaining, 206.406250 MB of memory in use. ENERGY: 3811400 707.6701 2058.2167 1980.1224 105.8139 -206879.8117 18094.3766 0.0000 0.0000 34104.5265 -149829.0854 297.8433 -183933.6120 -149737.5191 298.0348 125.2083 159.5287 557008.7664 2.3067 2.4527 PRESSURE: 3811600 247.286 -9.96719 -27.6364 -9.96755 27.1568 8.03684 -27.6364 8.03689 245.152 GPRESSURE: 3811600 246.722 -64.0644 -30.9024 -27.7143 117.877 -42.7074 13.7205 45.3622 258.137 PRESSAVG: 3811600 30.9784 2.15304 -2.93992 2.15302 -11.0219 -10.7397 -2.93999 -10.7397 -17.9214 GPRESSAVG: 3811600 31.0144 1.3643 -3.76509 2.75624 -11.115 -9.58525 -1.59339 -11.7802 -17.5886 TIMING: 3811600 CPU: 11422.2, 0.0030407/step Wall: 11422.2, 0.0030407/step, 1.00377 hours remaining, 206.406250 MB of memory in use. ENERGY: 3811600 744.6202 2050.1080 1957.6129 115.9422 -206973.1794 18216.3859 0.0000 0.0000 34074.5049 -149814.0052 297.5811 -183888.5101 -149713.6503 297.3718 173.1982 207.5785 555989.0477 0.6783 0.7703 PRESSURE: 3811800 -19.0312 -95.3328 -90.9652 -95.3313 -24.187 218.478 -90.9639 218.479 -46.1144 GPRESSURE: 3811800 -18.0276 -96.9317 -27.862 -131.62 -12.6456 228.705 -92.9739 222.248 33.1911 PRESSAVG: 3811800 -0.13927 -3.14051 -10.8158 -3.14052 -45.6992 37.8289 -10.8159 37.8287 23.1637 GPRESSAVG: 3811800 -1.42992 -1.22015 -11.2535 -4.25318 -44.8357 37.5835 -12.0197 36.8787 23.4184 TIMING: 3811800 CPU: 11422.8, 0.00304392/step Wall: 11422.8, 0.00304392/step, 1.00466 hours remaining, 206.406250 MB of memory in use. ENERGY: 3811800 740.8967 2102.5312 1966.2294 103.3288 -206590.8213 17995.4366 0.0000 0.0000 34008.5791 -149673.8194 297.0054 -183682.3985 -149583.6116 297.4495 -29.7775 0.8393 557182.2254 -7.5583 -7.6157 PRESSURE: 3812000 85.9888 -155.693 -9.21772 -155.693 -27.9622 218.063 -9.2178 218.062 -77.2519 GPRESSURE: 3812000 159.265 -152.729 -52.1326 -110.675 -25.2399 207.793 14.6419 231.735 -49.287 PRESSAVG: 3812000 -4.84429 -43.1585 31.2618 -43.1586 -20.3279 13.9504 31.2617 13.9503 46.9519 GPRESSAVG: 3812000 -4.31862 -43.0191 33.8024 -44.1661 -21.5194 12.0883 30.5745 15.5541 47.9705 TIMING: 3812000 CPU: 11423.4, 0.00305704/step Wall: 11423.4, 0.00305704/step, 1.00882 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: 3812000 792.8977 2068.3043 1973.5957 111.2570 -206597.3032 17869.0171 0.0000 0.0000 34191.8502 -149590.3812 298.6059 -183782.2314 -149496.8902 297.7248 -6.4084 28.2459 556548.1867 7.2599 7.3775 PRESSURE: 3812200 102.905 -143.902 14.8059 -143.901 227.729 98.1022 14.8077 98.1027 -245.035 GPRESSURE: 3812200 82.17 -110.137 11.9946 -173.152 274.597 77.5091 -14.7703 134.522 -155.486 PRESSAVG: 3812200 -38.1061 -16.2238 -49.4848 -16.2238 -10.483 -15.0658 -49.4847 -15.0658 -7.41658 GPRESSAVG: 3812200 -37.9325 -16.4767 -48.9966 -14.7487 -9.78096 -15.8113 -49.9063 -15.2345 -8.73792 TIMING: 3812200 CPU: 11424.1, 0.00307781/step Wall: 11424.1, 0.00307781/step, 1.01551 hours remaining, 206.406250 MB of memory in use. ENERGY: 3812200 757.1568 2093.7904 1950.5829 127.1307 -206666.3191 18002.8120 0.0000 0.0000 34080.5192 -149654.3270 297.6337 -183734.8462 -149555.9940 298.7123 28.5328 67.0936 557130.6887 -18.6686 -18.8171 LDB: ============= START OF LOAD BALANCING ============== 11427.5 LDB: ============== END OF LOAD BALANCING =============== 11427.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11427.5 LDB: ============= START OF LOAD BALANCING ============== 11427.8 LDB: Largest compute 4820 load 0.020714 is 17.5% of average load 0.118095 LDB: Average compute 0.001722 is 1.5% of average load 0.118095 LDB: TIME 11427.8 LOAD: AVG 0.118095 MAX 0.217641 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 11427.8 LOAD: AVG 0.118095 MAX 0.217641 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.949 MB LDB: TIME 11427.8 LOAD: AVG 0.118095 MAX 0.217641 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.949 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11427.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11427.8 PRESSURE: 3812400 -223.99 -61.3367 -160.241 -61.3384 321.304 -36.254 -160.241 -36.2538 15.3307 GPRESSURE: 3812400 -155.408 -55.0201 -126.941 -149.799 298.627 17.6458 -175.311 -150.215 64.2222 PRESSAVG: 3812400 -76.5993 -19.286 5.0353 -19.286 57.3242 -12.1896 5.03539 -12.1895 5.44487 GPRESSAVG: 3812400 -77.0338 -19.3192 1.62123 -18.5732 56.8743 -11.152 8.96615 -12.8244 5.92488 TIMING: 3812400 CPU: 11424.7, 0.00311309/step Wall: 11424.7, 0.00311309/step, 1.02697 hours remaining, 205.945312 MB of memory in use. ENERGY: 3812400 735.7461 2058.0726 1975.8340 137.0604 -206493.6361 17899.2095 0.0000 0.0000 34222.9062 -149464.8072 298.8772 -183687.7134 -149362.8141 298.4136 37.5484 69.1469 556627.5377 -4.6101 -4.7449 PRESSURE: 3812600 -36.3912 18.7836 -56.8051 18.7828 203.373 60.5323 -56.804 60.5318 87.1426 GPRESSURE: 3812600 -29.0937 61.2965 -48.4921 8.99366 262.275 49.9354 -19.3691 109.166 112.141 PRESSAVG: 3812600 -6.70431 7.35656 10.0727 7.35661 52.3753 34.7464 10.0726 34.7465 -52.9667 GPRESSAVG: 3812600 -5.34542 7.38506 11.1973 6.88779 52.4855 35.182 8.67212 34.9338 -54.098 TIMING: 3812600 CPU: 11425.3, 0.00307974/step Wall: 11425.3, 0.00307974/step, 1.0158 hours remaining, 205.945312 MB of memory in use. ENERGY: 3812600 735.1032 2152.5414 1946.6605 110.3715 -206457.1957 17851.3985 0.0000 0.0000 34194.2102 -149466.9103 298.6265 -183661.1205 -149374.5090 298.5417 84.7081 115.1076 556636.8892 -2.4319 -2.3193 PRESSURE: 3812800 24.2058 187.56 -2.35455 187.56 108.345 -226.176 -2.35319 -226.176 -109.568 GPRESSURE: 3812800 65.145 182.504 47.9679 152.102 127.684 -254.588 45.1884 -189.833 -78.388 PRESSAVG: 3812800 -18.679 18.6919 -9.88375 18.6919 57.7846 47.1556 -9.88378 47.1556 2.03757 GPRESSAVG: 3812800 -19.0218 18.5583 -9.31553 18.2969 58.1844 46.7976 -11.5025 47.8332 1.98117 TIMING: 3812800 CPU: 11425.9, 0.00302949/step Wall: 11425.9, 0.00302949/step, 0.999057 hours remaining, 205.945312 MB of memory in use. ENERGY: 3812800 731.5605 2160.2699 1948.0300 128.4237 -206320.0669 17698.6333 0.0000 0.0000 34202.3689 -149450.7806 298.6978 -183653.1495 -149350.8598 298.8511 7.6610 38.1468 556078.4926 13.7144 13.7146 PRESSURE: 3813000 -71.2502 51.9618 -191.928 51.9617 -196.135 162.851 -191.929 162.85 239.742 GPRESSURE: 3813000 -43.4026 -34.8041 -185.071 14.748 -128.103 146.79 -174.658 229.279 241.864 PRESSAVG: 3813000 56.9635 -0.720361 -14.0271 -0.720317 49.649 72.029 -14.0273 72.029 -39.3509 GPRESSAVG: 3813000 57.0485 0.0759971 -14.7154 -1.78252 48.7405 73.3917 -13.4063 70.443 -38.6015 TIMING: 3813000 CPU: 11426.5, 0.00303439/step Wall: 11426.5, 0.00303439/step, 1.00051 hours remaining, 205.945312 MB of memory in use. ENERGY: 3813000 781.2622 2107.8775 1944.4575 107.5852 -206575.6561 17790.4664 0.0000 0.0000 34308.0196 -149535.9877 299.6205 -183844.0073 -149438.5956 298.6255 -9.2143 23.4528 556963.3436 22.4205 22.3958 PRESSURE: 3813200 -159.699 -28.3888 12.5995 -28.3894 -100.261 71.7876 12.5995 71.7892 -350.87 GPRESSURE: 3813200 -149.625 -3.17508 14.7071 -24.5689 -123.814 121.31 154.887 -82.8998 -238.044 PRESSAVG: 3813200 -5.7145 -16.5479 1.47117 -16.5478 28.2666 16.4013 1.47118 16.4014 -5.02091 GPRESSAVG: 3813200 -6.15297 -18.2757 2.90494 -13.8948 28.912 14.9243 0.935985 18.0813 -5.0032 TIMING: 3813200 CPU: 11427.1, 0.00303089/step Wall: 11427.1, 0.00303089/step, 0.999184 hours remaining, 205.945312 MB of memory in use. ENERGY: 3813200 838.9916 2156.6631 1947.6747 108.6547 -206377.3666 17762.7180 0.0000 0.0000 34170.2055 -149392.4591 298.4169 -183562.6645 -149294.6636 299.1893 -203.6098 -170.4945 556608.5435 5.8437 5.9186 PRESSURE: 3813400 101.027 -88.6706 -0.256901 -88.6689 79.7737 6.44528 -0.257141 6.44347 135.978 GPRESSURE: 3813400 155.901 -174.429 -13.1777 29.6415 97.4677 53.3962 77.7344 -49.3188 175.435 PRESSAVG: 3813400 9.23147 -17.0499 21.6824 -17.05 49.8923 -4.50047 21.6824 -4.50047 -38.1087 GPRESSAVG: 3813400 9.06222 -17.4706 19.7553 -17.7834 50.2647 -3.98404 21.9816 -5.18578 -37.883 TIMING: 3813400 CPU: 11427.7, 0.00306269/step Wall: 11427.7, 0.00306269/step, 1.0095 hours remaining, 205.945312 MB of memory in use. ENERGY: 3813400 758.8478 2144.4970 1956.0739 112.4001 -206640.3089 17930.2410 0.0000 0.0000 34213.0360 -149525.2131 298.7910 -183738.2491 -149425.7145 298.8164 105.5930 142.9346 555312.9865 7.0050 7.1480 PRESSURE: 3813600 -173.44 -97.9367 39.2891 -97.9374 -29.9671 -100.908 39.2897 -100.908 -82.8106 GPRESSURE: 3813600 -105.689 -55.8317 -35.4428 -115.961 -19.8423 -109.413 71.6567 -33.0284 -61.7266 PRESSAVG: 3813600 -47.2376 -22.9897 31.0404 -22.9897 33.6715 41.073 31.0403 41.0731 19.2228 GPRESSAVG: 3813600 -46.3775 -21.6918 33.3562 -23.2884 33.12 40.2641 31.78 41.7463 18.9635 TIMING: 3813600 CPU: 11428.3, 0.00302902/step Wall: 11428.3, 0.00302902/step, 0.998229 hours remaining, 205.945312 MB of memory in use. ENERGY: 3813600 758.4973 2115.4221 1949.0975 124.0647 -206597.8133 17738.0173 0.0000 0.0000 34349.9769 -149562.7374 299.9869 -183912.7143 -149478.1810 298.3424 -95.4059 -62.4193 554416.0881 1.8855 1.9020 PRESSURE: 3813800 -159.548 157.024 -1.22852 157.023 -79.7953 245.81 -1.22886 245.81 68.9028 GPRESSURE: 3813800 -95.0441 128.336 42.0112 107.341 -25.2475 227.326 -24.1762 202.715 42.4846 PRESSAVG: 3813800 -10.3357 -51.7846 15.6687 -51.7847 27.5238 20.3016 15.6687 20.3016 -34.7719 GPRESSAVG: 3813800 -10.6895 -52.3083 15.3319 -51.5135 27.7706 19.5505 14.1724 20.5346 -34.3849 TIMING: 3813800 CPU: 11428.9, 0.00302701/step Wall: 11428.9, 0.00302701/step, 0.997399 hours remaining, 205.945312 MB of memory in use. ENERGY: 3813800 793.6276 2169.9274 1942.5482 118.0325 -206082.5976 17647.3128 0.0000 0.0000 34124.9875 -149286.1616 298.0220 -183411.1491 -149198.7622 298.6212 -56.8137 -25.9357 555902.9097 -5.8613 -5.7679 PRESSURE: 3814000 194.077 206.646 121.044 206.646 -108.912 -80.6402 121.045 -80.6404 30.8673 GPRESSURE: 3814000 266.403 281.292 14.9546 133.162 -86.7112 -118.285 186.637 33.0442 23.1472 PRESSAVG: 3814000 -10.112 17.9409 -18.0758 17.941 -21.728 20.0906 -18.0758 20.0904 64.0521 GPRESSAVG: 3814000 -10.5686 15.5142 -18.9831 20.431 -21.5186 19.4908 -18.4023 21.0809 64.3318 TIMING: 3814000 CPU: 11429.5, 0.00303571/step Wall: 11429.5, 0.00303571/step, 1.0001 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: 3814000 752.9002 2097.1112 1940.6871 123.6990 -206033.5133 17716.3575 0.0000 0.0000 34001.6936 -149401.0647 296.9452 -183402.7584 -149313.2003 298.9059 38.6776 67.6129 555908.3954 10.7373 10.7482 PRESSURE: 3814200 -51.0758 10.9642 126.934 10.9641 -34.2558 -59.5479 126.934 -59.5479 -266.807 GPRESSURE: 3814200 -2.61429 -15.5322 125.509 24.1813 -5.56271 -140.915 129.971 -26.8089 -243.799 PRESSAVG: 3814200 8.11172 9.39146 52.5316 9.39147 1.47391 -18.7116 52.5316 -18.7115 -20.8312 GPRESSAVG: 3814200 8.54807 8.90075 53.5721 7.8831 0.469021 -16.8553 54.0125 -21.3589 -21.0398 TIMING: 3814200 CPU: 11430.2, 0.00305547/step Wall: 11430.2, 0.00305547/step, 1.00644 hours remaining, 205.945312 MB of memory in use. ENERGY: 3814200 765.2182 2122.7385 1968.0583 115.9281 -206097.5723 17780.0856 0.0000 0.0000 34027.2147 -149318.3290 297.1681 -183345.5437 -149229.0874 299.2944 -117.3795 -83.9921 557490.9246 -3.7485 -4.0076 PRESSURE: 3814400 -319.04 -83.5372 15.776 -83.537 7.15749 195.424 15.7766 195.424 -56.9235 GPRESSURE: 3814400 -262.828 -72.6792 109.691 -189.887 34.5939 202.694 -63.2869 194.154 -40.6427 PRESSAVG: 3814400 -25.0285 9.23444 5.50886 9.23441 -2.96745 22.0374 5.50879 22.0375 12.1392 GPRESSAVG: 3814400 -25.0802 10.2423 6.09892 9.6448 -1.81099 20.433 5.11126 22.5087 11.1277 TIMING: 3814400 CPU: 11430.8, 0.00305711/step Wall: 11430.8, 0.00305711/step, 1.00681 hours remaining, 205.945312 MB of memory in use. ENERGY: 3814400 755.4442 2130.6784 1954.9466 111.6778 -206213.9717 17683.0965 0.0000 0.0000 34493.8131 -149084.3151 301.2430 -183578.1282 -148986.9518 299.6369 -122.9354 -89.6256 557669.0663 -5.2856 -5.2545 PRESSURE: 3814600 -233.393 -116.884 199.164 -116.884 -247.599 -11.5608 199.165 -11.5605 -13.0376 GPRESSURE: 3814600 -173.516 -231.772 204.466 -82.9464 -203.856 48.0216 163.788 -76.4176 -17.2551 PRESSAVG: 3814600 -88.9185 -21.0115 7.74598 -21.0116 21.9198 -5.93938 7.74594 -5.93942 84.6504 GPRESSAVG: 3814600 -88.1535 -20.2491 4.30244 -22.5731 21.6804 -7.39568 8.78303 -5.54641 84.1582 TIMING: 3814600 CPU: 11431.4, 0.00306165/step Wall: 11431.4, 0.00306165/step, 1.00813 hours remaining, 205.945312 MB of memory in use. ENERGY: 3814600 761.8455 2118.9462 1941.9703 108.5008 -205876.5356 17559.7593 0.0000 0.0000 34122.6138 -149262.8998 298.0013 -183385.5136 -149167.6308 299.4065 -164.6767 -131.5422 557202.8936 5.8839 5.8950 PRESSURE: 3814800 21.2183 104.284 -126.727 104.283 0.38955 32.2817 -126.727 32.2818 157.253 GPRESSURE: 3814800 43.5727 78.4177 -134.586 169.575 57.0583 16.1521 -125.954 91.6152 176.309 PRESSAVG: 3814800 -51.0215 -1.74124 14.0588 -1.74122 28.2854 14.7872 14.0588 14.7872 35.211 GPRESSAVG: 3814800 -51.7032 -3.18592 15.6943 -1.52482 28.3511 17.6328 12.0603 14.6269 35.9545 TIMING: 3814800 CPU: 11432, 0.00304888/step Wall: 11432, 0.00304888/step, 1.00376 hours remaining, 205.945312 MB of memory in use. ENERGY: 3814800 726.8871 2121.4422 1940.5171 109.1854 -206361.7816 17870.4938 0.0000 0.0000 34490.7490 -149102.5070 301.2163 -183593.2560 -149016.7281 299.4251 59.6202 92.3132 557285.5431 4.1583 4.2008 PRESSURE: 3815000 -68.0094 70.3382 45.8272 70.3389 -148.288 149.479 45.8269 149.479 -243.785 GPRESSURE: 3815000 -62.7779 13.6191 22.3676 199.083 -117.339 63.6906 62.0357 170.234 -190.482 PRESSAVG: 3815000 22.792 58.5329 52.9932 58.5328 12.1897 38.594 52.9932 38.5939 -20.7607 GPRESSAVG: 3815000 22.7572 59.9375 53.6278 58.7517 11.9192 36.106 54.5319 39.2995 -20.6847 TIMING: 3815000 CPU: 11432.6, 0.00309302/step Wall: 11432.6, 0.00309302/step, 1.01812 hours remaining, 205.945312 MB of memory in use. ENERGY: 3815000 760.0326 2119.5808 1909.8099 114.1368 -205501.2328 17220.8142 0.0000 0.0000 34382.8549 -148994.0037 300.2740 -183376.8585 -148890.8133 299.2363 -153.3611 -123.5330 558807.2395 4.7404 4.6639 PRESSURE: 3815200 -118.843 -48.9003 -37.8552 -48.899 -87.5824 -95.9348 -37.856 -95.9369 12.4383 GPRESSURE: 3815200 -125.611 -46.8599 4.56014 -67.2526 5.72112 -94.2388 -0.384349 -86.4398 29.4268 PRESSAVG: 3815200 43.8157 17.9413 -9.58595 17.9412 -4.58769 5.9211 -9.58605 5.92119 -23.7884 GPRESSAVG: 3815200 44.1273 18.7044 -11.1772 16.808 -4.81401 6.89335 -8.68042 6.06297 -24.2079 TIMING: 3815200 CPU: 11433.2, 0.00308837/step Wall: 11433.2, 0.00308837/step, 1.01642 hours remaining, 205.945312 MB of memory in use. ENERGY: 3815200 783.6590 2096.8124 1923.2226 119.1463 -205928.9023 17670.8808 0.0000 0.0000 34316.4812 -149018.6999 299.6944 -183335.1811 -148932.8551 300.1100 -64.6624 -30.1542 557534.4415 5.1465 5.0351 PRESSURE: 3815400 182.352 -37.8383 102.506 -37.8382 -100.286 -36.739 102.506 -36.7399 267.862 GPRESSURE: 3815400 215.675 16.656 89.8387 -62.1395 -84.1335 -25.0843 125.805 38.1774 330.143 PRESSAVG: 3815400 23.0513 -41.4369 59.0362 -41.4369 2.67317 -29.7028 59.0362 -29.7029 6.57945 GPRESSAVG: 3815400 22.1255 -41.557 58.2964 -41.1669 2.42949 -29.7276 57.4268 -30.9125 7.73676 TIMING: 3815400 CPU: 11433.8, 0.00308408/step Wall: 11433.8, 0.00308408/step, 1.01483 hours remaining, 205.945312 MB of memory in use. ENERGY: 3815400 761.7570 2070.0605 1942.6800 101.2244 -206121.9442 17861.6717 0.0000 0.0000 34288.1361 -149096.4145 299.4468 -183384.5506 -148995.7980 300.1142 116.6425 153.8947 556696.0197 10.7680 10.7639 PRESSURE: 3815600 45.3699 -64.1972 -2.80648 -64.1972 -57.2137 30.642 -2.80491 30.6429 249.273 GPRESSURE: 3815600 33.7797 -22.2142 -7.46723 -82.1127 20.0159 36.8305 0.59138 35.049 285.127 PRESSAVG: 3815600 -21.915 -58.7443 41.4603 -58.7443 -31.7812 -16.5536 41.4603 -16.5535 69.0034 GPRESSAVG: 3815600 -21.2214 -57.8767 43.028 -59.0727 -32.2174 -16.282 42.3753 -15.6748 68.6582 TIMING: 3815600 CPU: 11434.5, 0.00309431/step Wall: 11434.5, 0.00309431/step, 1.01803 hours remaining, 205.945312 MB of memory in use. ENERGY: 3815600 728.1338 2178.7603 1947.1053 105.9787 -206219.4452 17870.0739 0.0000 0.0000 34055.0906 -149334.3025 297.4116 -183389.3932 -149238.0793 299.4643 79.1432 112.9740 557599.0507 5.1024 5.0731 PRESSURE: 3815800 -370.172 128.226 -137.897 128.226 -227.041 250.801 -137.897 250.801 -69.3827 GPRESSURE: 3815800 -322.317 84.0065 -60.3772 116.346 -206.282 284.888 -169.177 165.625 -48.4829 PRESSAVG: 3815800 -76.2906 69.3478 -24.9352 69.3477 -10.858 19.3997 -24.9353 19.3997 65.5952 GPRESSAVG: 3815800 -77.5255 67.6746 -26.1694 69.5221 -9.7116 21.9121 -25.5127 19.4106 65.2898 TIMING: 3815800 CPU: 11435.1, 0.00307475/step Wall: 11435.1, 0.00307475/step, 1.01142 hours remaining, 205.945312 MB of memory in use. ENERGY: 3815800 793.2286 2074.4719 1935.5672 107.7015 -205903.5203 17529.7907 0.0000 0.0000 34327.8632 -149134.8972 299.7938 -183462.7605 -149041.6615 299.1860 -222.1983 -192.3606 559863.4453 -7.1845 -7.3158 PRESSURE: 3816000 155.192 -29.8639 27.522 -29.864 -169.387 121.479 27.5214 121.479 56.4897 GPRESSURE: 3816000 187.6 36.8161 89.2582 -147.834 -147.231 153.24 9.21516 65.4047 96.2583 PRESSAVG: 3816000 14.3771 1.1992 4.14112 1.19915 -46.8937 33.143 4.14116 33.143 63.6133 GPRESSAVG: 3816000 15.8193 2.46133 6.18666 0.61549 -48.2647 32.1309 4.69315 33.0641 63.0064 TIMING: 3816000 CPU: 11435.7, 0.00304921/step Wall: 11435.7, 0.00304921/step, 1.00285 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: 3816000 711.2152 2066.2656 1921.9493 119.0844 -206052.8123 17806.0752 0.0000 0.0000 34264.3003 -149163.9223 299.2387 -183428.2226 -149069.0349 299.5169 14.0982 45.5425 557892.3710 10.3656 10.1870 PRESSURE: 3816200 -23.886 32.717 -87.8674 32.7168 -190.322 52.3024 -87.867 52.3016 -15.8865 GPRESSURE: 3816200 -74.2551 6.11522 -99.0991 34.3102 -111.008 136.907 -110.17 -61.1968 36.5399 PRESSAVG: 3816200 22.0514 8.32445 47.1224 8.32445 -61.3723 43.0191 47.1223 43.0192 -34.0483 GPRESSAVG: 3816200 19.9384 7.74288 44.6619 8.83592 -60.3237 41.9861 47.1223 42.5093 -33.0562 TIMING: 3816200 CPU: 11436.3, 0.00304107/step Wall: 11436.3, 0.00304107/step, 1 hours remaining, 205.945312 MB of memory in use. ENERGY: 3816200 699.8276 2091.7951 1957.3891 109.4337 -205863.1742 17554.7915 0.0000 0.0000 34147.9938 -149301.9434 298.2229 -183449.9372 -149203.8413 298.6284 -76.6980 -49.5744 559355.9597 -24.4564 -24.4805 LDB: ============= START OF LOAD BALANCING ============== 11439.7 LDB: ============== END OF LOAD BALANCING =============== 11439.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11439.7 LDB: ============= START OF LOAD BALANCING ============== 11440 LDB: Largest compute 4820 load 0.021319 is 18.1% of average load 0.118091 LDB: Average compute 0.001714 is 1.5% of average load 0.118091 LDB: TIME 11440 LOAD: AVG 0.118091 MAX 0.216797 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.434 MB LDB: TIME 11440 LOAD: AVG 0.118091 MAX 0.216797 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: TIME 11440 LOAD: AVG 0.118091 MAX 0.216797 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.434 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11440 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11440 PRESSURE: 3816400 10.0702 91.4509 -20.6785 91.4528 -195.626 0.920073 -20.6791 0.91943 -106.992 GPRESSURE: 3816400 33.1294 101.561 -81.3752 35.9486 -164.025 54.9818 32.1487 -98.1512 -65.4571 PRESSAVG: 3816400 38.2753 17.1602 -14.1552 17.1601 19.8496 26.2312 -14.1552 26.2311 -49.4192 GPRESSAVG: 3816400 38.7892 15.6217 -16.0807 17.9861 19.533 26.9275 -13.4398 26.71 -49.383 TIMING: 3816400 CPU: 11436.9, 0.00311053/step Wall: 11436.9, 0.00311053/step, 1.02267 hours remaining, 205.433594 MB of memory in use. ENERGY: 3816400 775.4110 2054.0881 1925.4088 111.5603 -206375.8239 17843.2657 0.0000 0.0000 34288.8987 -149377.1912 299.4535 -183666.0899 -149272.6039 298.9990 -97.5162 -65.4509 558245.0654 2.9019 2.9797 PRESSURE: 3816600 -67.6673 -0.56325 -91.1342 -0.564611 252.718 120.295 -91.1344 120.295 164.881 GPRESSURE: 3816600 -5.27712 -37.1137 -114.763 -72.9853 294.168 88.868 -23.8769 197.522 162.841 PRESSAVG: 3816600 14.5867 -19.1378 -6.11243 -19.1377 47.101 -9.09265 -6.11244 -9.09258 -18.4811 GPRESSAVG: 3816600 15.2096 -16.7308 -4.38123 -20.2709 46.7679 -11.9913 -7.32339 -7.77733 -18.8038 TIMING: 3816600 CPU: 11437.5, 0.00305608/step Wall: 11437.5, 0.00305608/step, 1.0046 hours remaining, 205.433594 MB of memory in use. ENERGY: 3816600 782.8741 2049.0370 1953.5848 105.7888 -206623.8872 18122.0684 0.0000 0.0000 34179.2671 -149431.2670 298.4960 -183610.5341 -149340.5328 298.5332 116.6436 150.5774 557674.9424 14.4022 14.3912 PRESSURE: 3816800 -30.9846 -143.781 -23.8947 -143.78 131.057 -54.8283 -23.8942 -54.8287 91.2736 GPRESSURE: 3816800 11.3701 -144.897 78.9691 -145.418 160.078 -11.4717 -58.6926 -96.5501 122.722 PRESSAVG: 3816800 -48.1307 -55.768 -4.15348 -55.7681 50.1407 -35.4894 -4.15343 -35.4895 5.33112 GPRESSAVG: 3816800 -47.8948 -58.2595 -3.20376 -54.012 51.0184 -31.4755 -4.84578 -35.4312 4.98388 TIMING: 3816800 CPU: 11438.1, 0.00308504/step Wall: 11438.1, 0.00308504/step, 1.01395 hours remaining, 205.433594 MB of memory in use. ENERGY: 3816800 755.7513 2088.3818 1931.8343 113.1215 -206401.4137 17876.4793 0.0000 0.0000 34281.9960 -149353.8495 299.3932 -183635.8456 -149264.3164 297.8831 63.7819 98.0565 558310.9977 2.4470 2.7025 PRESSURE: 3817000 -24.5769 12.1666 -61.4218 12.1662 -25.2514 -147.489 -61.4225 -147.489 -77.6461 GPRESSURE: 3817000 -17.4356 -37.2087 -98.251 70.0153 -4.10823 -220.538 -32.2242 -49.798 -6.81137 PRESSAVG: 3817000 3.91327 -11.871 3.9158 -11.8709 -84.8802 -66.2579 3.9158 -66.2579 126.497 GPRESSAVG: 3817000 4.95962 -10.0216 2.65563 -10.787 -85.3458 -67.6505 5.14816 -67.0486 126.201 TIMING: 3817000 CPU: 11438.8, 0.00305264/step Wall: 11438.8, 0.00305264/step, 1.00313 hours remaining, 205.433594 MB of memory in use. ENERGY: 3817000 732.5930 2170.3857 1967.4230 106.1125 -206360.6177 17799.2017 0.0000 0.0000 34222.7016 -149362.2001 298.8754 -183584.9017 -149261.9435 298.6969 -42.4915 -9.4517 557299.9396 15.1767 15.2717 PRESSURE: 3817200 -357.638 -53.4309 95.8692 -53.4303 139.168 89.1776 95.8688 89.1771 -67.6744 GPRESSURE: 3817200 -310.492 -130.741 53.9363 -24.7562 181.841 116.573 164.941 122.215 -62.2463 PRESSAVG: 3817200 -53.9914 -12.5376 -0.709779 -12.5376 17.9774 -27.9919 -0.709874 -27.9918 32.2003 GPRESSAVG: 3817200 -54.2774 -12.3002 -1.80589 -15.4604 17.4509 -28.0567 -2.11674 -28.7337 33.141 TIMING: 3817200 CPU: 11439.4, 0.00302982/step Wall: 11439.4, 0.00302982/step, 0.995463 hours remaining, 205.433594 MB of memory in use. ENERGY: 3817200 754.0697 2044.5592 1934.7007 105.1019 -206183.5076 17710.6036 0.0000 0.0000 34306.0746 -149328.3979 299.6035 -183634.4725 -149227.2981 299.5808 -95.3817 -63.6322 557752.2998 -1.2712 -1.2285 PRESSURE: 3817400 59.3801 -51.1716 -51.0875 -51.1716 -38.3136 56.4618 -51.0888 56.4619 228.606 GPRESSURE: 3817400 151.037 -134.495 -88.058 -73.0089 4.69398 -48.5693 -90.9254 138.589 197.224 PRESSAVG: 3817400 -67.5051 -13.6289 52.1739 -13.6288 22.1347 -13.6967 52.1739 -13.6967 54.6324 GPRESSAVG: 3817400 -66.4873 -15.5797 53.7054 -12.4435 22.9104 -13.6161 52.2955 -14.3439 53.1661 TIMING: 3817400 CPU: 11440, 0.0030582/step Wall: 11440, 0.0030582/step, 1.00462 hours remaining, 205.433594 MB of memory in use. ENERGY: 3817400 675.1457 2115.9693 1964.1026 114.5756 -206265.2724 17879.2664 0.0000 0.0000 34308.4730 -149207.7397 299.6244 -183516.2127 -149110.1238 298.9525 83.2242 117.6518 559117.2104 3.0873 3.1964 PRESSURE: 3817600 -74.6255 18.2136 31.7568 18.2152 62.1447 -94.7286 31.7567 -94.7287 -49.0009 GPRESSURE: 3817600 -47.0004 -8.7812 62.3899 -23.0023 112.64 -43.5447 36.4941 -137.252 -24.0785 PRESSAVG: 3817600 -22.2057 -20.0184 -17.4137 -20.0184 15.9017 -25.7422 -17.4137 -25.7421 34.2077 GPRESSAVG: 3817600 -24.5007 -15.8916 -16.1264 -20.9582 16.0843 -26.4499 -17.9251 -25.3989 36.1399 TIMING: 3817600 CPU: 11440.6, 0.00306472/step Wall: 11440.6, 0.00306472/step, 1.00659 hours remaining, 205.433594 MB of memory in use. ENERGY: 3817600 757.5568 2110.3280 1970.9092 105.5428 -206298.5462 17970.7535 0.0000 0.0000 34337.7861 -149045.6697 299.8804 -183383.4558 -148953.4602 299.4518 -20.4939 13.8539 557969.0762 9.3012 9.2411 PRESSURE: 3817800 -138.412 7.62965 -12.1945 7.62975 -32.7848 141.414 -12.1938 141.414 -193.407 GPRESSURE: 3817800 -124.057 -53.1731 -6.36329 15.3642 -32.1104 136.32 0.766927 196.551 -113.969 PRESSAVG: 3817800 -29.7664 53.1739 0.381003 53.1738 25.3884 15.6801 0.380973 15.6801 4.02869 GPRESSAVG: 3817800 -28.3848 49.0583 0.713593 54.1368 25.612 15.9328 0.160272 17.4597 2.82413 TIMING: 3817800 CPU: 11441.2, 0.00306691/step Wall: 11441.2, 0.00306691/step, 1.00714 hours remaining, 205.433594 MB of memory in use. ENERGY: 3817800 763.8442 2108.5244 1941.3711 114.4253 -206094.6539 17739.8843 0.0000 0.0000 34306.8812 -149119.7235 299.6105 -183426.6047 -149022.5614 299.6585 -121.5347 -90.0455 558006.1598 -0.1164 0.0171 PRESSURE: 3818000 142.577 -114.037 26.8765 -114.037 39.4701 -198.507 26.8763 -198.507 86.9265 GPRESSURE: 3818000 189.703 -36.3357 -1.57383 -196.894 107.62 -200.949 16.8885 -205.771 77.8621 PRESSAVG: 3818000 -9.38985 -52.4712 -16.3083 -52.4711 8.48003 19.1509 -16.3083 19.151 9.59484 GPRESSAVG: 3818000 -10.2396 -50.8462 -16.6508 -52.6974 8.67456 17.0706 -15.7802 19.049 10.1674 TIMING: 3818000 CPU: 11441.8, 0.00305582/step Wall: 11441.8, 0.00305582/step, 1.00333 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: 3818000 726.3680 2113.8092 1952.0094 114.7997 -206446.8538 18027.8400 0.0000 0.0000 34543.2222 -148968.8052 301.6746 -183512.0275 -148873.2626 300.3101 89.6577 125.0615 556390.3629 2.8950 2.8674 PRESSURE: 3818200 -80.042 -102.046 -77.9343 -102.046 -184.947 6.76291 -77.9344 6.76227 -62.864 GPRESSURE: 3818200 -39.7658 -115.839 -89.8578 -74.2266 -181.899 23.3907 -36.949 93.2399 -20.157 PRESSAVG: 3818200 72.347 16.2497 -0.668314 16.2497 -30.3714 16.1665 -0.668415 16.1665 -11.1992 GPRESSAVG: 3818200 72.0434 14.8605 -0.629027 15.5739 -29.9272 18.0705 -0.763305 17.3737 -11.0118 TIMING: 3818200 CPU: 11442.4, 0.00305403/step Wall: 11442.4, 0.00305403/step, 1.00257 hours remaining, 205.433594 MB of memory in use. ENERGY: 3818200 723.0242 2084.9103 1965.6750 117.3302 -205904.6256 17625.3591 0.0000 0.0000 34371.8081 -149016.5186 300.1775 -183388.3268 -148918.9631 299.6038 -109.2844 -80.6072 557716.3692 10.2588 10.3681 PRESSURE: 3818400 -176.113 -137.905 -115.651 -137.905 -188.464 85.4602 -115.65 85.461 93.8222 GPRESSURE: 3818400 -130.529 -151.849 -173.684 -151.566 -161.558 67.849 -92.2765 113.169 109.355 PRESSAVG: 3818400 8.57963 -29.9133 -58.0654 -29.9133 -25.9372 9.99976 -58.0654 9.99975 23.9792 GPRESSAVG: 3818400 8.61884 -27.7827 -57.5498 -30.5608 -25.4784 9.924 -57.6792 8.36319 23.4573 TIMING: 3818400 CPU: 11443, 0.00306497/step Wall: 11443, 0.00306497/step, 1.00599 hours remaining, 205.433594 MB of memory in use. ENERGY: 3818400 740.5532 2176.9379 1923.4254 110.3984 -205931.0361 17730.9789 0.0000 0.0000 34424.8511 -148823.8911 300.6408 -183248.7422 -148728.5416 299.5354 -90.2515 -60.9105 559077.7952 2.2072 2.1993 PRESSURE: 3818600 -279.286 22.8033 14.3756 22.8021 -156.825 72.2561 14.3761 72.2562 -25.5325 GPRESSURE: 3818600 -228.76 51.3043 31.1543 61.57 -134.706 66.0113 17.3325 87.4905 -4.39433 PRESSAVG: 3818600 50.7099 -30.456 -60.6792 -30.4561 -49.9298 3.09828 -60.6794 3.09844 38.8397 GPRESSAVG: 3818600 48.9875 -32.4804 -62.8137 -29.9882 -49.6244 2.2018 -60.0389 4.67511 39.8273 TIMING: 3818600 CPU: 11443.6, 0.00306175/step Wall: 11443.6, 0.00306175/step, 1.00476 hours remaining, 205.433594 MB of memory in use. ENERGY: 3818600 753.6455 2112.0139 1944.7084 121.9991 -205597.0694 17566.5604 0.0000 0.0000 34475.5473 -148622.5948 301.0835 -183098.1421 -148525.9213 300.3295 -153.8812 -122.6202 559280.3057 13.2066 13.0635 PRESSURE: 3818800 214.105 -65.472 81.0278 -65.4727 118.671 -21.0741 81.0278 -21.0731 54.7216 GPRESSURE: 3818800 276.03 -115.343 12.3092 -172.044 115.104 -37.8242 166.85 -6.08597 86.8769 PRESSAVG: 3818800 15.4345 -21.3807 -28.0082 -21.3807 -23.2632 -20.2012 -28.0081 -20.2012 -23.3042 GPRESSAVG: 3818800 17.711 -21.7884 -27.7965 -21.7017 -24.6706 -20.5984 -28.745 -22.0365 -24.2329 TIMING: 3818800 CPU: 11444.3, 0.0030417/step Wall: 11444.3, 0.0030417/step, 0.998014 hours remaining, 205.433594 MB of memory in use. ENERGY: 3818800 782.4864 2145.7619 1943.3586 110.1477 -206050.1338 18052.7017 0.0000 0.0000 34255.2458 -148760.4316 299.1596 -183015.6774 -148664.6967 300.0270 129.1659 159.3370 558479.6057 -10.3776 -10.3975 PRESSURE: 3819000 -73.9887 -69.5087 17.3477 -69.5089 -71.7443 -53.1518 17.3483 -53.1505 -265.604 GPRESSURE: 3819000 -75.6914 -101.566 10.9219 -105.346 -37.571 -1.728 -2.5586 34.62 -206.191 PRESSAVG: 3819000 50.3452 -61.236 34.9246 -61.236 -3.98803 -19.6287 34.9246 -19.6286 -0.027404 GPRESSAVG: 3819000 49.6381 -58.0393 34.9534 -62.6659 -3.20009 -17.9375 34.9535 -19.9665 0.476028 TIMING: 3819000 CPU: 11444.9, 0.00303375/step Wall: 11444.9, 0.00303375/step, 0.995239 hours remaining, 205.433594 MB of memory in use. ENERGY: 3819000 735.2977 2115.5205 1925.8525 117.7688 -205971.5410 17599.8120 0.0000 0.0000 34677.2868 -148800.0027 302.8454 -183477.2895 -148691.9139 300.3932 -137.1123 -106.4844 557709.3118 15.4433 15.6380 PRESSURE: 3819200 12.4845 43.3494 37.1835 43.3506 -150.855 39.0383 37.1846 39.0373 61.7693 GPRESSURE: 3819200 88.1382 7.60945 42.0266 0.826133 -135.782 32.4304 -14.9198 22.8221 66.2268 PRESSAVG: 3819200 11.1297 -18.3737 16.293 -18.3737 14.0176 22.9589 16.293 22.959 -11.2695 GPRESSAVG: 3819200 11.1192 -18.5317 16.099 -17.9831 13.5936 23.5411 16.1346 24.718 -11.3014 TIMING: 3819200 CPU: 11445.5, 0.00304785/step Wall: 11445.5, 0.00304785/step, 0.999695 hours remaining, 205.433594 MB of memory in use. ENERGY: 3819200 759.9801 2114.7831 1928.2350 115.4606 -205974.0032 17788.4424 0.0000 0.0000 34196.9895 -149070.1125 298.6508 -183267.1020 -148968.3058 299.2682 -25.5338 6.1943 557954.7376 4.6259 4.4705 PRESSURE: 3819400 -57.7651 169.72 -59.2656 169.719 -20.2777 66.8746 -59.2649 66.8734 -242.015 GPRESSURE: 3819400 -68.3379 239.911 -123.561 102.568 11.5906 115.071 17.7156 80.3935 -179.969 PRESSAVG: 3819400 20.4483 -12.3868 15.523 -12.3869 18.3147 51.4802 15.523 51.4802 -33.3735 GPRESSAVG: 3819400 20.3276 -13.2609 15.404 -12.1961 17.9711 52.3445 14.8576 48.4218 -32.8714 TIMING: 3819400 CPU: 11446.1, 0.00300976/step Wall: 11446.1, 0.00300976/step, 0.987033 hours remaining, 205.433594 MB of memory in use. ENERGY: 3819400 770.7796 2155.5561 1948.2036 121.1574 -206058.3093 17701.7525 0.0000 0.0000 34347.0678 -149013.7923 299.9615 -183360.8601 -148920.1547 299.7164 -106.6858 -78.9056 558681.8326 1.7965 1.8091 PRESSURE: 3819600 -140.815 -73.0488 22.09 -73.0471 -109.365 11.0227 22.0894 11.0234 -147.437 GPRESSURE: 3819600 -88.7729 -151.84 -22.1769 -63.3468 -79.7942 23.2943 -0.189945 -3.70983 -108.656 PRESSAVG: 3819600 36.9896 23.8474 -26.3168 23.8475 -4.89814 26.8622 -26.3168 26.8622 -46.6261 GPRESSAVG: 3819600 37.262 23.5533 -27.0238 23.8653 -5.09877 24.7009 -26.1311 27.7083 -46.1007 TIMING: 3819600 CPU: 11446.7, 0.00304328/step Wall: 11446.7, 0.00304329/step, 0.997859 hours remaining, 205.433594 MB of memory in use. ENERGY: 3819600 777.6944 2128.1004 1929.4501 107.5377 -205974.2489 17780.9146 0.0000 0.0000 34350.8619 -148899.6897 299.9946 -183250.5516 -148806.2605 300.3133 -132.5390 -92.4077 558648.2936 -4.8449 -4.6458 PRESSURE: 3819800 60.2326 -147.898 -48.9585 -147.898 -163.696 34.7366 -48.9578 34.7386 -165.1 GPRESSURE: 3819800 72.1245 -163.761 -92.1269 -128.971 -113.164 31.4756 13.013 -70.8692 -140.72 PRESSAVG: 3819800 17.8186 -20.3937 27.4124 -20.3937 8.16727 -29.4947 27.4125 -29.4947 -30.6249 GPRESSAVG: 3819800 16.2576 -19.5299 27.6564 -20.5545 11.068 -28.0716 29.318 -29.9673 -32.4649 TIMING: 3819800 CPU: 11447.3, 0.00298232/step Wall: 11447.3, 0.00298232/step, 0.977703 hours remaining, 205.433594 MB of memory in use. ENERGY: 3819800 769.2040 2037.4798 1945.1961 109.3488 -206121.8457 17766.1197 0.0000 0.0000 34575.5640 -148918.9333 301.9570 -183494.4973 -148827.3628 300.0106 -89.5210 -60.5865 559537.1809 -1.5463 -1.7131 PRESSURE: 3820000 -260.115 39.6267 18.7115 39.627 -56.0253 21.0889 18.7106 21.0899 -18.3699 GPRESSURE: 3820000 -193.002 -21.4992 -5.13778 51.6321 -10.6206 -11.1347 -97.5125 -14.2743 -39.0583 PRESSAVG: 3820000 13.3538 17.9709 -25.733 17.971 -3.72517 11.3652 -25.733 11.3651 -20.0773 GPRESSAVG: 3820000 15.0954 15.8137 -26.4762 17.9211 -6.3827 11.6282 -25.746 12.24 -19.3357 TIMING: 3820000 CPU: 11447.9, 0.00298524/step Wall: 11447.9, 0.00298524/step, 0.978496 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: 3820000 727.0366 2096.0776 1960.8349 112.1099 -205840.1831 17519.2712 0.0000 0.0000 34416.8669 -149007.9860 300.5711 -183424.8529 -148910.3349 300.3725 -111.5033 -80.8935 558006.3880 -3.4829 -3.5410 PRESSURE: 3820200 159.246 127.129 2.90176 127.128 114.442 -46.0375 2.90165 -46.0383 69.1476 GPRESSURE: 3820200 166.187 77.2534 29.4155 117.077 189.633 -86.2877 -39.9605 31.0873 76.1752 PRESSAVG: 3820200 55.4524 -35.9175 -5.52433 -35.9176 22.2684 31.0296 -5.52434 31.0295 -75.3641 GPRESSAVG: 3820200 55.1067 -32.6474 -4.30401 -35.9109 21.2153 28.6978 -5.78949 31.7138 -74.634 TIMING: 3820200 CPU: 11448.5, 0.00303063/step Wall: 11448.5, 0.00303063/step, 0.993203 hours remaining, 205.433594 MB of memory in use. ENERGY: 3820200 737.2401 2075.2631 1939.5862 117.9774 -206635.2360 17980.0026 0.0000 0.0000 34738.7167 -149046.4499 303.3819 -183785.1666 -148951.2392 300.5079 114.2789 143.9983 556300.9984 0.7856 0.5626 LDB: ============= START OF LOAD BALANCING ============== 11451.9 LDB: ============== END OF LOAD BALANCING =============== 11451.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11451.9 LDB: ============= START OF LOAD BALANCING ============== 11452.2 LDB: Largest compute 4820 load 0.022585 is 19.1% of average load 0.118062 LDB: Average compute 0.001722 is 1.5% of average load 0.118062 LDB: TIME 11452.2 LOAD: AVG 0.118062 MAX 0.212975 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 11452.2 LOAD: AVG 0.118062 MAX 0.212975 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.918 MB LDB: TIME 11452.2 LOAD: AVG 0.118062 MAX 0.212975 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11452.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11452.2 PRESSURE: 3820400 -4.46285 -76.4147 55.7297 -76.4138 4.80431 102.927 55.7288 102.929 -1.3456 GPRESSURE: 3820400 36.3702 -33.4219 82.89 -84.1023 29.9271 83.9855 -3.52159 79.2457 23.7122 PRESSAVG: 3820400 53.6776 2.2411 -10.3487 2.2412 -21.2701 -15.9936 -10.3486 -15.9936 -5.65098 GPRESSAVG: 3820400 52.8139 -0.796002 -10.3692 3.19877 -19.259 -14.7352 -10.5044 -17.6356 -6.81021 TIMING: 3820400 CPU: 11449.1, 0.00305492/step Wall: 11449.1, 0.00305492/step, 1.001 hours remaining, 207.542969 MB of memory in use. ENERGY: 3820400 728.1727 2112.5181 1956.7393 105.3636 -206481.4944 17867.8340 0.0000 0.0000 34607.5804 -149103.2864 302.2366 -183710.8668 -149003.0606 300.7514 -0.3347 30.0032 558574.6965 8.9188 8.9149 PRESSURE: 3820600 -355.16 178.187 -68.7803 178.187 -339.722 -60.6029 -68.7796 -60.602 -305.514 GPRESSURE: 3820600 -329.136 86.3584 -46.087 196.423 -256.295 -61.6933 -11.3614 -53.4716 -304.687 PRESSAVG: 3820600 57.4802 -25.6901 -6.55439 -25.6901 -8.87633 7.90638 -6.55444 7.90645 -14.8558 GPRESSAVG: 3820600 58.0465 -24.1284 -6.70423 -26.0874 -9.52989 8.41501 -6.70319 8.21886 -14.9543 TIMING: 3820600 CPU: 11449.7, 0.0030029/step Wall: 11449.7, 0.0030029/step, 0.983784 hours remaining, 207.613281 MB of memory in use. ENERGY: 3820600 773.3745 2087.2663 1959.6794 121.7056 -205796.7837 17510.2629 0.0000 0.0000 34262.1970 -149082.2981 299.2203 -183344.4951 -148981.6213 299.5212 -333.4654 -296.7059 559668.9385 11.2493 11.1874 PRESSURE: 3820800 -250.321 201.902 -237.576 201.902 124.593 9.80479 -237.576 9.80627 -266.324 GPRESSURE: 3820800 -209.573 189.648 -154.416 322.193 154.309 28.2647 -240.675 1.65637 -247.439 PRESSAVG: 3820800 -3.77439 6.21357 -1.37196 6.21352 33.1222 18.7561 -1.37195 18.7562 -70.9538 GPRESSAVG: 3820800 -4.69994 6.26008 -0.930785 7.696 33.8252 18.9957 0.60775 16.0376 -70.6518 TIMING: 3820800 CPU: 11450.3, 0.0030035/step Wall: 11450.3, 0.0030035/step, 0.983814 hours remaining, 207.613281 MB of memory in use. ENERGY: 3820800 797.0207 2114.4937 1943.7974 113.6231 -206174.6842 17656.9203 0.0000 0.0000 34330.9504 -149217.8787 299.8207 -183548.8291 -149123.6208 298.8744 -130.6840 -100.9014 557623.3410 -13.8687 -13.8422 PRESSURE: 3821000 57.8403 141.269 -54.4978 141.269 -139.364 137.965 -54.4974 137.965 -425.466 GPRESSURE: 3821000 45.0445 213.962 2.29998 154.097 -145.387 54.5508 -55.5167 153.991 -308.865 PRESSAVG: 3821000 49.6607 15.2004 22.08 15.2005 -28.0215 28.4739 22.0799 28.4738 2.50419 GPRESSAVG: 3821000 49.9098 13.7785 20.1079 12.0914 -29.266 29.4935 20.3043 31.2342 3.46293 TIMING: 3821000 CPU: 11450.9, 0.00304706/step Wall: 11450.9, 0.00304706/step, 0.997912 hours remaining, 207.613281 MB of memory in use. ENERGY: 3821000 752.5649 2078.7443 1939.7365 110.0543 -206103.9173 17617.8762 0.0000 0.0000 34282.5915 -149322.3496 299.3984 -183604.9411 -149221.9837 298.8227 -168.9964 -136.4024 557406.4625 8.0478 8.0356 PRESSURE: 3821200 -298.172 -156.166 106.144 -156.166 20.9889 -114.948 106.143 -114.947 -217.009 GPRESSURE: 3821200 -223.048 -133.71 26.7908 -152.512 83.3856 -162.951 157.08 -118.769 -270.458 PRESSAVG: 3821200 -18.3519 17.2392 21.6353 17.2392 -11.3398 5.64273 21.6352 5.64262 37.5838 GPRESSAVG: 3821200 -18.4165 19.3344 23.5944 17.825 -11.5618 6.55952 21.6681 4.63794 37.6759 TIMING: 3821200 CPU: 11451.5, 0.00307111/step Wall: 11451.5, 0.00307111/step, 1.00562 hours remaining, 207.613281 MB of memory in use. ENERGY: 3821200 771.0631 2148.4862 1923.7112 111.5724 -205805.6737 17555.8688 0.0000 0.0000 34065.4893 -149229.4828 297.5024 -183294.9721 -149137.8611 299.4368 -164.7307 -136.7068 558913.4735 2.6307 2.5659 PRESSURE: 3821400 -133.581 -65.9511 97.7501 -65.9504 -120.549 -48.2675 97.7497 -48.2668 -272.531 GPRESSURE: 3821400 -85.2143 -92.9659 67.2296 -80.1685 -183.407 -74.1297 53.8585 -75.1325 -170.696 PRESSAVG: 3821400 28.0523 -27.3213 31.4584 -27.3212 -17.2234 -44.9465 31.4585 -44.9465 -14.9285 GPRESSAVG: 3821400 28.4478 -28.3154 31.5755 -25.4434 -16.6264 -46.6708 32.0298 -44.1849 -15.9627 TIMING: 3821400 CPU: 11452.1, 0.0030166/step Wall: 11452.1, 0.0030166/step, 0.987603 hours remaining, 207.613281 MB of memory in use. ENERGY: 3821400 785.8618 2078.9223 1937.2175 114.2178 -206181.9792 17726.3745 0.0000 0.0000 34351.0999 -149188.2856 299.9967 -183539.3854 -149095.0134 299.2809 -175.5539 -146.4391 558692.8090 -1.3665 -1.3804 PRESSURE: 3821600 -288.434 58.3384 161.394 58.338 -186.095 194.513 161.394 194.513 112.996 GPRESSURE: 3821600 -201.394 -33.0233 214.589 118.056 -161.851 144.027 -1.27934 198.999 96.8486 PRESSAVG: 3821600 63.806 25.28 34.0119 25.28 34.5664 -1.48839 34.0119 -1.48833 -53.926 GPRESSAVG: 3821600 63.8467 26.2806 35.3339 24.6728 34.2984 -2.3946 32.3434 -1.80147 -53.6979 TIMING: 3821600 CPU: 11452.7, 0.00301775/step Wall: 11452.7, 0.00301775/step, 0.987809 hours remaining, 207.613281 MB of memory in use. ENERGY: 3821600 784.0071 2099.4179 1949.5014 124.6250 -206234.2368 17754.4783 0.0000 0.0000 34206.9998 -149315.2073 298.7382 -183522.2071 -149217.2251 299.2007 -120.5111 -88.7988 557518.2770 14.8155 14.8157 PRESSURE: 3821800 25.7492 -100.186 -38.3627 -100.187 -207.943 25.9257 -38.3622 25.926 90.1289 GPRESSURE: 3821800 15.7583 -224.355 -55.7449 -126.751 -116.305 40.5205 23.416 -8.6677 103.442 PRESSAVG: 3821800 21.8713 -1.7807 0.120434 -1.78066 -16.8666 -7.08377 0.120429 -7.08373 -15.56 GPRESSAVG: 3821800 22.9913 -4.69926 -1.15354 -1.25544 -17.9058 -7.62808 -1.26999 -6.45239 -16.1062 TIMING: 3821800 CPU: 11453.3, 0.00300966/step Wall: 11453.3, 0.00300966/step, 0.984995 hours remaining, 207.613281 MB of memory in use. ENERGY: 3821800 738.8652 2121.0013 1968.5435 111.7097 -206604.1160 18029.9486 0.0000 0.0000 34377.8555 -149256.1923 300.2304 -183634.0478 -149163.4390 299.4214 -30.6883 0.9651 556871.1473 -3.5184 -3.6736 PRESSURE: 3822000 -229.731 -71.2857 52.4671 -71.286 -186.591 -73.839 52.4659 -73.8419 180.39 GPRESSURE: 3822000 -186.821 -142.518 88.8255 95.1304 -200.525 -97.1503 58.7094 -39.9494 259.814 PRESSAVG: 3822000 64.7312 36.3337 -32.7349 36.3339 -61.4473 9.81079 -32.7349 9.81078 -16.45 GPRESSAVG: 3822000 63.4765 37.5253 -34.4901 35.5388 -60.9019 9.94509 -27.8901 9.55596 -15.8415 TIMING: 3822000 CPU: 11453.9, 0.00298934/step Wall: 11453.9, 0.00298934/step, 0.97818 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: 3822000 796.9028 2107.8083 1942.1813 123.1036 -206354.0605 17870.1140 0.0000 0.0000 34195.3106 -149318.6400 298.6362 -183513.9505 -149216.0911 298.7757 -78.6441 -42.5104 556697.6839 -4.3887 -4.4223 PRESSURE: 3822200 -33.5457 43.2223 -24.4377 43.2225 -107.34 213.021 -24.4381 213.02 -249.801 GPRESSURE: 3822200 -7.50753 7.70771 -68.3006 39.7054 -87.9548 212.878 -74.4224 255.221 -198.774 PRESSAVG: 3822200 -54.9611 -8.49616 -34.2793 -8.49611 38.5365 -3.92954 -34.2793 -3.92967 38.8933 GPRESSAVG: 3822200 -53.7829 -7.93087 -32.1486 -8.52673 39.3231 -2.98863 -37.7131 -3.92553 36.9284 TIMING: 3822200 CPU: 11454.5, 0.00300657/step Wall: 11454.5, 0.00300657/step, 0.98365 hours remaining, 207.613281 MB of memory in use. ENERGY: 3822200 797.7161 2147.6371 1931.7855 122.3744 -206155.7278 17724.4661 0.0000 0.0000 34296.1687 -149135.5799 299.5170 -183431.7486 -149042.6502 299.1338 -130.2288 -98.0787 557332.0653 7.4896 7.4895 PRESSURE: 3822400 -25.4153 18.9311 -13.3191 18.9324 50.5101 -62.3326 -13.3193 -62.3326 -130.999 GPRESSURE: 3822400 26.612 -20.786 20.8169 61.9682 79.7348 -78.0625 63.715 -64.2385 -116.504 PRESSAVG: 3822400 5.0735 -18.6917 -0.328408 -18.6917 -11.333 -30.0918 -0.32846 -30.0919 -32.7177 GPRESSAVG: 3822400 3.76639 -18.9801 -1.62873 -18.9152 -12.2403 -31.3351 0.62355 -27.6724 -31.0854 TIMING: 3822400 CPU: 11455.1, 0.00300659/step Wall: 11455.1, 0.00300659/step, 0.983489 hours remaining, 207.613281 MB of memory in use. ENERGY: 3822400 738.8891 2081.3282 1927.4359 132.4614 -205888.3007 17619.8219 0.0000 0.0000 34161.4576 -149226.9065 298.3405 -183388.3642 -149128.1574 299.6094 -35.3014 -3.3858 557650.6096 -12.9924 -13.1865 PRESSURE: 3822600 232.246 187.697 73.4634 187.697 141.455 96.3663 73.4643 96.3662 -172.217 GPRESSURE: 3822600 269.031 126.611 105.89 288.841 182.326 124.712 63.8672 76.2254 -151.581 PRESSAVG: 3822600 40.1839 1.94136 -28.8903 1.94138 -33.336 -23.9394 -28.8902 -23.9395 -35.5806 GPRESSAVG: 3822600 40.7249 1.80676 -27.8045 3.84689 -34.1211 -23.2427 -29.9679 -25.5586 -35.7881 TIMING: 3822600 CPU: 11455.7, 0.00303505/step Wall: 11455.7, 0.00303505/step, 0.992631 hours remaining, 207.613281 MB of memory in use. ENERGY: 3822600 730.5765 2087.8483 1921.5256 107.4158 -206320.5699 18043.1489 0.0000 0.0000 34118.3053 -149311.7495 297.9636 -183430.0547 -149217.8111 298.7084 67.1614 99.9252 558308.7266 -9.5775 -9.7281 PRESSURE: 3822800 36.9528 71.8248 -199.258 71.8257 113.861 38.4454 -199.257 38.444 -46.3478 GPRESSURE: 3822800 99.163 126.686 -213.094 101.878 100.326 -39.4055 -139.4 142.875 3.82594 PRESSAVG: 3822800 92.432 13.8011 -14.4973 13.8011 -36.55 -26.3212 -14.4973 -26.3212 -49.1392 GPRESSAVG: 3822800 91.7198 12.0051 -16.0833 13.1608 -35.9258 -28.8427 -14.5473 -25.6677 -48.686 TIMING: 3822800 CPU: 11456.3, 0.00303049/step Wall: 11456.3, 0.00303049/step, 0.990971 hours remaining, 207.613281 MB of memory in use. ENERGY: 3822800 760.6224 2127.3735 1946.7002 98.3908 -206486.3818 17861.9810 0.0000 0.0000 34460.0816 -149231.2323 300.9485 -183691.3139 -149128.8286 298.6909 34.8219 67.7718 556678.8625 2.2476 2.3693 PRESSURE: 3823000 235.878 -8.03051 113.909 -8.03046 -290.137 114.977 113.908 114.977 -103.349 GPRESSURE: 3823000 227.461 -33.4048 35.7703 -92.8601 -170.045 159.831 125.561 146.507 -115.05 PRESSAVG: 3823000 64.7927 -38.6255 7.99644 -38.6255 -33.2099 -1.96396 7.99634 -1.96391 -17.1627 GPRESSAVG: 3823000 65.5691 -37.8521 10.8727 -40.0915 -33.4557 0.256443 8.23826 -3.23155 -17.1081 TIMING: 3823000 CPU: 11456.9, 0.00303851/step Wall: 11456.9, 0.00303851/step, 0.993424 hours remaining, 207.613281 MB of memory in use. ENERGY: 3823000 754.2269 2078.5130 1931.5147 112.7752 -206296.3804 17852.4368 0.0000 0.0000 34149.4765 -149417.4373 298.2359 -183566.9139 -149322.9725 299.3078 -52.5360 -19.2113 556931.6739 4.8067 5.0017 PRESSURE: 3823200 98.2266 -53.0177 -146.377 -53.0154 -70.2888 75.1334 -146.376 75.1327 -119.389 GPRESSURE: 3823200 133.112 -126.431 -183.818 -31.4484 -49.9021 71.8409 -139.768 -9.243 -65.1344 PRESSAVG: 3823200 -20.737 -81.3484 -46.5721 -81.3483 33.4987 56.9076 -46.5721 56.9076 -29.7877 GPRESSAVG: 3823200 -21.4532 -80.466 -49.2169 -80.0085 33.5686 58.2878 -47.1457 56.0593 -28.9629 TIMING: 3823200 CPU: 11457.5, 0.00301821/step Wall: 11457.5, 0.00301821/step, 0.98662 hours remaining, 207.613281 MB of memory in use. ENERGY: 3823200 726.8349 2089.8737 1921.8929 129.9497 -206561.3479 17860.5948 0.0000 0.0000 34333.5500 -149498.6520 299.8434 -183832.2019 -149397.2494 298.7854 -30.4838 6.0253 556426.6797 -5.6753 -5.6158 PRESSURE: 3823400 -338.001 -53.0137 -179.062 -53.0136 -240.432 87.059 -179.063 87.0595 -216.264 GPRESSURE: 3823400 -298.344 -46.1764 -140.122 -52.1816 -225.803 121.565 -196.668 12.3233 -178.872 PRESSAVG: 3823400 -6.04913 1.67442 18.1606 1.67443 -35.9693 31.0967 18.1605 31.0968 88.902 GPRESSAVG: 3823400 -6.51838 -0.30348 19.6143 3.18221 -35.5191 30.8516 17.652 32.9858 88.8885 TIMING: 3823400 CPU: 11458.1, 0.00301019/step Wall: 11458.1, 0.00301019/step, 0.983831 hours remaining, 207.613281 MB of memory in use. ENERGY: 3823400 767.0111 2055.4253 1944.2042 113.4340 -205576.8625 17302.3575 0.0000 0.0000 34046.4978 -149347.9326 297.3365 -183394.4304 -149252.6317 299.0110 -264.8989 -234.3396 558036.2898 15.6279 15.6170 PRESSURE: 3823600 -41.2106 -211.532 70.6172 -211.532 -284.391 -11.0418 70.6176 -11.0421 -187.45 GPRESSURE: 3823600 -82.5811 -207.959 10.3353 -121.656 -239.463 -57.037 78.6267 5.05886 -98.2678 PRESSAVG: 3823600 12.9984 -51.9599 -28.912 -51.9599 -25.5036 30.0406 -28.912 30.0407 -1.71458 GPRESSAVG: 3823600 13.7794 -49.5599 -28.4431 -55.1398 -25.6781 28.7423 -29.4377 27.6135 -1.90141 TIMING: 3823600 CPU: 11458.8, 0.00302207/step Wall: 11458.8, 0.00302207/step, 0.987547 hours remaining, 207.613281 MB of memory in use. ENERGY: 3823600 771.9431 2131.1300 1959.0473 112.1631 -205740.4887 17404.3258 0.0000 0.0000 34165.0873 -149196.7922 298.3722 -183361.8794 -149101.2827 299.5502 -171.0174 -140.1040 557617.6588 -4.7399 -4.6000 PRESSURE: 3823800 -32.1982 -37.0942 -151.864 -37.0932 -75.4861 87.2179 -151.864 87.2181 -153.305 GPRESSURE: 3823800 -14.9373 -109.583 -137.56 23.0855 -55.6023 36.6712 -161.919 124.4 -87.221 PRESSAVG: 3823800 15.2726 19.7519 25.7339 19.7519 -5.7959 -17.1661 25.7339 -17.1661 -5.69886 GPRESSAVG: 3823800 14.6779 19.3882 25.1409 19.0654 -5.59159 -16.8307 25.4973 -15.5212 -5.60153 TIMING: 3823800 CPU: 11459.4, 0.00302106/step Wall: 11459.4, 0.00302106/step, 0.987049 hours remaining, 207.613281 MB of memory in use. ENERGY: 3823800 724.6207 2079.9645 1952.3969 98.4603 -206008.1763 17718.4716 0.0000 0.0000 34334.8468 -149099.4157 299.8548 -183434.2624 -149004.1051 299.9483 -86.9964 -52.5869 558766.5147 1.2593 1.1616 PRESSURE: 3824000 117.224 -14.7484 -228.848 -14.7487 124.028 121.617 -228.848 121.616 17.485 GPRESSURE: 3824000 124.595 -14.2458 -251.5 59.9045 133.242 59.2765 -101.292 187.851 100.402 PRESSAVG: 3824000 -43.6137 26.6725 -23.9103 26.6725 -5.62583 -13.3054 -23.9104 -13.3054 -29.3387 GPRESSAVG: 3824000 -43.8851 25.7173 -24.7246 30.2984 -5.23766 -13.2877 -21.1214 -13.9503 -29.6269 TIMING: 3824000 CPU: 11460, 0.00302324/step Wall: 11460, 0.00302324/step, 0.987592 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: 3824000 769.3382 2095.6635 1949.9879 107.9155 -206429.4823 17955.7933 0.0000 0.0000 34449.2013 -149101.5827 300.8534 -183550.7840 -149017.7272 299.5604 86.2459 119.4131 556359.7164 -26.1927 -26.2499 PRESSURE: 3824200 64.5735 83.7989 48.0866 83.7994 16.7882 36.2246 48.0874 36.2273 -194.274 GPRESSURE: 3824200 80.1845 -31.8741 21.0858 23.5765 31.9471 33.1379 69.1345 70.1784 -126.894 PRESSAVG: 3824200 41.0767 16.1733 -11.9821 16.1733 10.8333 -9.96962 -11.9822 -9.96963 -41.6347 GPRESSAVG: 3824200 42.3506 17.1091 -10.3343 14.4148 11.285 -9.69155 -13.2142 -9.49927 -43.3455 TIMING: 3824200 CPU: 11460.6, 0.00303479/step Wall: 11460.6, 0.00303479/step, 0.991196 hours remaining, 207.613281 MB of memory in use. ENERGY: 3824200 730.0489 2074.2735 1967.5853 106.5229 -206078.6765 17803.6863 0.0000 0.0000 34330.3648 -149066.1949 299.8156 -183396.5597 -148973.6735 300.0729 -37.6374 -4.9208 557605.0623 3.4251 3.4300 LDB: ============= START OF LOAD BALANCING ============== 11464 LDB: ============== END OF LOAD BALANCING =============== 11464 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11464 LDB: ============= START OF LOAD BALANCING ============== 11464.3 LDB: Largest compute 4820 load 0.023028 is 19.5% of average load 0.118130 LDB: Average compute 0.001721 is 1.5% of average load 0.118130 LDB: TIME 11464.3 LOAD: AVG 0.11813 MAX 0.215454 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.023 MB LDB: TIME 11464.3 LOAD: AVG 0.11813 MAX 0.215454 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.27 MB LDB: TIME 11464.3 LOAD: AVG 0.11813 MAX 0.215454 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.27 MB LDB: ============== END OF LOAD BALANCING =============== 11464.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11464.3 PRESSURE: 3824400 110.368 -81.8921 -146.558 -81.892 88.8497 105.649 -146.558 105.646 -131.71 GPRESSURE: 3824400 101.322 -46.6988 -12.1827 -33.0322 95.2048 17.195 -163.734 120.526 -39.1628 PRESSAVG: 3824400 -23.3032 -18.1101 -22.6303 -18.1101 100.705 17.8339 -22.6303 17.8338 -36.7447 GPRESSAVG: 3824400 -25.7398 -18.8969 -22.9333 -19.7544 101.074 17.5699 -21.3614 17.8386 -35.0878 TIMING: 3824400 CPU: 11461.2, 0.00307514/step Wall: 11461.2, 0.00307514/step, 1.0042 hours remaining, 206.906250 MB of memory in use. ENERGY: 3824400 738.1110 2104.9047 1954.0213 113.6009 -206322.4952 17872.3314 0.0000 0.0000 34505.8026 -149033.7232 301.3478 -183539.5258 -148940.1828 299.4357 22.5026 52.4548 558102.0932 13.5522 13.4156 PRESSURE: 3824600 -105.472 -158.744 200.243 -158.745 -105.513 -196.857 200.242 -196.857 -103.2 GPRESSURE: 3824600 -90.7234 -142.023 235.553 -217.867 -74.2967 -174.629 154.327 -225.098 -61.6592 PRESSAVG: 3824600 23.6021 -55.1059 -40.6356 -55.1058 77.6545 -10.4314 -40.6356 -10.4315 -75.3587 GPRESSAVG: 3824600 23.3377 -56.9902 -42.3996 -52.8559 75.9422 -11.4253 -42.4911 -11.8688 -73.2227 TIMING: 3824600 CPU: 11461.8, 0.00303931/step Wall: 11461.8, 0.00303931/step, 0.992335 hours remaining, 206.906250 MB of memory in use. ENERGY: 3824600 742.1247 2113.8742 1974.7205 123.1041 -205761.3648 17646.9639 0.0000 0.0000 34110.2102 -149050.3673 297.8929 -183160.5775 -148965.4861 299.6315 -104.7281 -75.5598 558183.2254 8.6326 8.6857 PRESSURE: 3824800 -54.3512 -5.30766 -150.424 -5.30799 -60.4132 26.2477 -150.424 26.2474 -25.4133 GPRESSURE: 3824800 26.3077 -19.7598 -171.206 -15.557 -20.4335 -0.414865 -137.456 53.4606 -60.0469 PRESSAVG: 3824800 12.9978 0.531982 44.8638 0.531937 15.6853 10.0604 44.8639 10.0605 -51.1044 GPRESSAVG: 3824800 14.208 1.10234 44.361 0.0202832 16.6761 9.59894 47.562 12.3439 -53.2348 TIMING: 3824800 CPU: 11462.4, 0.00304188/step Wall: 11462.4, 0.00304188/step, 0.993006 hours remaining, 206.906250 MB of memory in use. ENERGY: 3824800 734.3029 2089.0298 1945.4825 113.7422 -206176.6931 17777.0426 0.0000 0.0000 34314.2001 -149202.8930 299.6744 -183517.0931 -149106.9563 298.6086 -46.7259 -18.0575 559070.5514 -7.4738 -7.4502 PRESSURE: 3825000 -149.854 189.296 157.221 189.297 -390.608 -47.0475 157.222 -47.0493 86.9877 GPRESSURE: 3825000 -97.0688 129.857 144.472 214.693 -346.187 -60.567 157.014 -16.2653 70.1214 PRESSAVG: 3825000 20.2396 60.1983 6.42844 60.1983 0.196638 5.78391 6.42842 5.78386 49.727 GPRESSAVG: 3825000 20.1065 60.96 6.56909 60.6399 1.477 5.79542 5.57881 4.58276 48.7141 TIMING: 3825000 CPU: 11463, 0.00303115/step Wall: 11463, 0.00303115/step, 0.989333 hours remaining, 206.906250 MB of memory in use. ENERGY: 3825000 768.3606 2140.2126 1949.6279 124.0885 -206230.9995 17738.1402 0.0000 0.0000 34361.5907 -149148.9791 300.0883 -183510.5697 -149054.7019 299.5341 -151.1580 -124.3781 558102.5544 23.3878 23.4325 PRESSURE: 3825200 99.4092 56.4481 -72.3764 56.4487 -179.406 81.7321 -72.3752 81.7329 29.4235 GPRESSURE: 3825200 117.717 74.8211 -9.98095 0.901555 -113.047 8.00574 -79.8516 62.9046 41.2488 PRESSAVG: 3825200 -31.499 3.48957 23.6514 3.48961 -53.1488 -11.9312 23.6514 -11.9312 35.7727 GPRESSAVG: 3825200 -32.277 3.36047 24.7654 4.50456 -54.6017 -9.7464 21.4047 -11.393 38.6881 TIMING: 3825200 CPU: 11463.6, 0.00304513/step Wall: 11463.6, 0.00304513/step, 0.993729 hours remaining, 206.906250 MB of memory in use. ENERGY: 3825200 723.2217 2105.3959 1938.8098 114.9390 -206331.1339 17970.4863 0.0000 0.0000 34345.3734 -149132.9078 299.9467 -183478.2812 -149032.5146 299.2914 -16.8576 15.3062 558286.3279 -16.2917 -16.0635 PRESSURE: 3825400 -286.917 179.898 -106.574 179.898 -262.507 156.917 -106.576 156.917 -455.244 GPRESSURE: 3825400 -202.501 190.212 -75.7794 204.212 -224.859 141.334 -166.168 124.756 -497.12 PRESSAVG: 3825400 18.3793 15.9974 -4.56791 15.9974 -18.4996 -16.7076 -4.56777 -16.7076 15.974 GPRESSAVG: 3825400 20.0497 16.8314 -4.97371 16.8234 -17.8286 -17.6102 -3.93926 -17.5136 13.3921 TIMING: 3825400 CPU: 11464.2, 0.00306805/step Wall: 11464.2, 0.00306805/step, 1.00104 hours remaining, 206.906250 MB of memory in use. ENERGY: 3825400 749.0110 2110.7144 1949.1948 124.5341 -205736.8273 17433.5330 0.0000 0.0000 34283.6808 -149086.1592 299.4079 -183369.8400 -148994.3533 299.5884 -334.8895 -308.1596 560037.5467 5.2846 5.2044 PRESSURE: 3825600 -121.473 -15.3119 -34.6103 -15.3108 -155.231 -142.771 -34.6103 -142.771 -9.7833 GPRESSURE: 3825600 -77.966 -104.855 -74.2142 -18.7659 -93.8137 -155.934 60.7438 -143.65 -19.2958 PRESSAVG: 3825600 21.8485 -1.5832 -62.1547 -1.5832 -30.6588 -1.27801 -62.1548 -1.27802 -13.6032 GPRESSAVG: 3825600 20.8257 -2.8103 -62.646 -2.07291 -30.3453 -0.453521 -60.8262 -1.78919 -13.0741 TIMING: 3825600 CPU: 11464.8, 0.00306409/step Wall: 11464.8, 0.00306409/step, 0.999573 hours remaining, 206.906250 MB of memory in use. ENERGY: 3825600 761.4693 2105.7232 1933.7975 120.1193 -206197.7580 17844.8545 0.0000 0.0000 34287.8497 -149143.9445 299.4443 -183431.7942 -149050.4560 299.1806 -95.4958 -63.6919 558225.6380 -7.4712 -7.5312 PRESSURE: 3825800 111.786 69.8335 150.476 69.8324 198.91 -71.5486 150.476 -71.5497 54.7494 GPRESSURE: 3825800 81.119 105.228 152.323 -4.094 279.644 80.6922 173.091 -116.988 89.7352 PRESSAVG: 3825800 -12.7202 -8.18933 -50.2268 -8.18929 -74.1648 -26.8921 -50.2268 -26.8921 17.5318 GPRESSAVG: 3825800 -12.4955 -5.79287 -48.4137 -10.0809 -73.7973 -25.915 -52.1727 -27.7825 17.2884 TIMING: 3825800 CPU: 11465.5, 0.00304727/step Wall: 11465.5, 0.00304727/step, 0.993919 hours remaining, 206.906250 MB of memory in use. ENERGY: 3825800 772.3961 2092.6916 1922.8205 112.0259 -206134.7868 17906.8469 0.0000 0.0000 34153.4140 -149174.5917 298.2703 -183328.0057 -149077.2311 299.7805 121.8149 150.1661 557352.4056 -23.1177 -23.0015 PRESSURE: 3826000 166.383 -184.009 167.634 -184.008 82.7602 79.7762 167.635 79.7753 21.8092 GPRESSURE: 3826000 181.613 -101.919 164.998 -196.854 115.968 3.52725 175.405 73.5843 80.8314 PRESSAVG: 3826000 51.3042 -46.6153 15.1862 -46.6153 -46.9682 -39.2555 15.1862 -39.2557 16.4732 GPRESSAVG: 3826000 51.2267 -49.0422 14.8981 -46.0933 -48.011 -41.5692 17.3936 -38.1229 17.8922 TIMING: 3826000 CPU: 11466.1, 0.00303164/step Wall: 11466.1, 0.00303164/step, 0.98865 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: 3826000 760.7735 2127.3560 1940.2165 102.0645 -206638.8739 18153.9539 0.0000 0.0000 34423.9145 -149130.5950 300.6326 -183554.5094 -149039.3102 300.1427 90.3174 126.1375 557730.5675 6.9364 7.0360 PRESSURE: 3826200 -4.47454 -14.6193 -93.7304 -14.62 -246.773 -62.3509 -93.7302 -62.3519 72.5552 GPRESSURE: 3826200 28.6253 -12.6028 -38.9506 68.8546 -204.329 -64.9461 -84.0317 -76.7121 83.4866 PRESSAVG: 3826200 47.3803 -24.4233 -1.99678 -24.4233 -11.3698 0.264507 -1.99687 0.264642 9.81511 GPRESSAVG: 3826200 45.9834 -24.9298 -2.23764 -23.8746 -9.46631 2.41927 -2.71697 -0.767066 9.61257 TIMING: 3826200 CPU: 11466.7, 0.00306639/step Wall: 11466.7, 0.00306639/step, 0.999813 hours remaining, 206.906250 MB of memory in use. ENERGY: 3826200 753.7241 2049.2187 1954.0157 109.6928 -205949.9420 17795.9144 0.0000 0.0000 34103.0711 -149184.3051 297.8306 -183287.3763 -149087.3131 299.5677 -59.5642 -30.7389 559825.0327 15.2752 15.3766 PRESSURE: 3826400 -361.33 4.90646 -1.40403 4.90592 117.187 -75.4273 -1.40378 -75.4278 -155.168 GPRESSURE: 3826400 -322.983 -51.1911 65.193 -19.9762 128.67 -80.3898 -57.2945 -151.841 -117.554 PRESSAVG: 3826400 -31.6466 44.9219 -58.1861 44.9218 -0.0475959 -41.5368 -58.1861 -41.5368 65.7049 GPRESSAVG: 3826400 -30.3036 46.7467 -57.3585 43.6894 -0.784567 -43.8797 -58.8316 -38.1355 65.2528 TIMING: 3826400 CPU: 11467.3, 0.00307064/step Wall: 11467.3, 0.00307064/step, 1.00103 hours remaining, 206.906250 MB of memory in use. ENERGY: 3826400 766.3826 2105.1573 1979.1751 100.4644 -205998.1969 17742.0004 0.0000 0.0000 34316.1050 -148988.9121 299.6911 -183305.0171 -148893.1033 299.4407 -133.1036 -103.9560 560643.7305 11.3369 11.3882 PRESSURE: 3826600 -290.706 100.487 8.48298 100.489 -169.934 39.8814 8.48317 39.8808 -171.486 GPRESSURE: 3826600 -246.208 67.3473 -0.169923 14.2781 -180.789 -39.475 18.3212 85.2254 -97.6139 PRESSAVG: 3826600 -31.7747 28.8886 -43.2734 28.8886 15.6768 21.7106 -43.2734 21.7106 16.1118 GPRESSAVG: 3826600 -31.8109 29.8915 -44.9144 29.3119 15.8292 21.7054 -42.7661 18.6047 16.7039 TIMING: 3826600 CPU: 11467.9, 0.00305836/step Wall: 11467.9, 0.00305836/step, 0.996855 hours remaining, 206.906250 MB of memory in use. ENERGY: 3826600 753.6319 2069.5256 1948.5803 117.2845 -205664.6154 17621.3871 0.0000 0.0000 34339.2880 -148814.9180 299.8935 -183154.2060 -148721.5103 300.6771 -210.7089 -174.8701 560636.8694 0.0046 0.2407 PRESSURE: 3826800 153.965 -75.1274 -179.2 -75.1272 38.9634 146.266 -179.2 146.264 172.304 GPRESSURE: 3826800 229.422 -39.1319 -167.976 -101.012 66.5195 198.632 -244.6 109.182 167.329 PRESSAVG: 3826800 59.8492 -6.718 -1.06079 -6.71794 16.4485 19.9833 -1.06084 19.9832 -54.3792 GPRESSAVG: 3826800 60.0142 -7.46101 -0.761824 -6.89708 17.1898 20.135 -0.483287 22.3264 -55.0856 TIMING: 3826800 CPU: 11468.5, 0.00306388/step Wall: 11468.5, 0.00306388/step, 0.998484 hours remaining, 206.906250 MB of memory in use. ENERGY: 3826800 717.7472 2091.8003 1935.2890 112.9698 -206486.6480 18193.8841 0.0000 0.0000 34629.9201 -148805.0376 302.4317 -183434.9576 -148707.3715 299.9911 121.7440 154.4235 558451.7833 7.3062 7.3728 PRESSURE: 3827000 81.5856 -103.977 -97.3557 -103.976 161.88 -126.233 -97.3556 -126.231 65.0698 GPRESSURE: 3827000 119.262 33.7846 -149.412 -192.217 164.109 -116.508 -59.7319 -117.381 116.055 PRESSAVG: 3827000 -17.9731 -0.028695 -30.4479 -0.0287624 11.3321 14.4098 -30.4479 14.4098 -9.72507 GPRESSAVG: 3827000 -17.8827 1.50307 -30.557 0.455997 11.2616 17.8987 -31.716 13.8627 -9.52233 TIMING: 3827000 CPU: 11469.1, 0.00304279/step Wall: 11469.1, 0.00304279/step, 0.991443 hours remaining, 206.906250 MB of memory in use. ENERGY: 3827000 728.1974 2064.4400 1937.3363 123.0993 -206297.9926 18098.7950 0.0000 0.0000 34277.4582 -149068.6663 299.3536 -183346.1245 -148976.4276 299.8468 102.8452 133.1420 557819.0845 -5.4554 -5.3811 PRESSURE: 3827200 -128.787 -4.42243 -74.4354 -4.42296 125.439 -39.3462 -74.4367 -39.3466 344.258 GPRESSURE: 3827200 -80.1366 -59.4388 -137.953 54.5814 164.92 -31.6692 -66.823 -53.0631 350.255 PRESSAVG: 3827200 -37.3721 4.87773 -64.5616 4.8778 18.1721 61.5787 -64.5616 61.5787 13.0137 GPRESSAVG: 3827200 -36.9403 2.85795 -62.6618 4.36044 16.6272 61.0523 -65.5822 60.0435 14.3464 TIMING: 3827200 CPU: 11469.7, 0.00303266/step Wall: 11469.7, 0.00303266/step, 0.987973 hours remaining, 206.906250 MB of memory in use. ENERGY: 3827200 740.1582 2057.2034 1934.6822 98.9958 -205838.4041 17821.8935 0.0000 0.0000 34207.2670 -148978.2040 298.7406 -183185.4710 -148881.6201 299.4340 113.6367 145.0128 557987.2472 -2.0621 -1.9889 PRESSURE: 3827400 141.18 97.3251 -140.778 97.3255 -78.8539 168.53 -140.779 168.531 23.5093 GPRESSURE: 3827400 212.805 115.899 -57.6431 96.4351 -59.0162 152.599 -225.115 157.386 24.4771 PRESSAVG: 3827400 46.6297 55.796 -17.8667 55.796 50.5133 -1.47466 -17.8666 -1.4746 -82.7494 GPRESSAVG: 3827400 47.4882 56.4625 -17.436 55.8695 50.7423 -2.29428 -17.2682 -0.878278 -83.3041 TIMING: 3827400 CPU: 11470.3, 0.0030637/step Wall: 11470.3, 0.0030637/step, 0.997916 hours remaining, 206.906250 MB of memory in use. ENERGY: 3827400 742.8341 2137.3917 1935.0232 115.5447 -205918.9034 17739.7168 0.0000 0.0000 34331.8955 -148916.4973 299.8290 -183248.3929 -148827.4296 299.6377 28.6119 59.4221 558860.5280 4.7979 4.9755 PRESSURE: 3827600 135.232 97.3173 -132.639 97.3169 109.526 -46.8407 -132.639 -46.8411 -122.797 GPRESSURE: 3827600 150.229 108.053 -112.411 112.411 148.281 -68.179 -151.936 -44.0957 -74.2611 PRESSAVG: 3827600 7.40979 22.1203 -43.5188 22.1202 54.0228 63.278 -43.5188 63.278 -67.3682 GPRESSAVG: 3827600 6.52343 21.2067 -45.3829 23.0412 55.2033 62.716 -42.3077 62.7613 -67.12 TIMING: 3827600 CPU: 11470.9, 0.00302794/step Wall: 11470.9, 0.00302794/step, 0.986099 hours remaining, 206.906250 MB of memory in use. ENERGY: 3827600 755.5093 2117.3138 1920.0136 110.6930 -206285.4017 17946.2068 0.0000 0.0000 34356.2830 -149079.3822 300.0420 -183435.6652 -148984.4085 300.6824 40.6534 74.7496 558060.3444 -1.9785 -1.7978 PRESSURE: 3827800 92.8649 21.0265 79.1618 21.0273 289.441 4.97406 79.1622 4.97579 -249.899 GPRESSURE: 3827800 126.059 35.2687 44.6718 -37.5601 297.64 70.9645 33.8836 5.00851 -192.896 PRESSAVG: 3827800 -2.17642 19.3728 -56.9538 19.3728 87.0708 4.99345 -56.9538 4.99342 -83.3237 GPRESSAVG: 3827800 -2.28527 18.0791 -55.8395 19.1107 86.9548 5.33268 -58.0034 3.83237 -83.0951 TIMING: 3827800 CPU: 11471.5, 0.00301206/step Wall: 11471.5, 0.00301206/step, 0.980761 hours remaining, 206.906250 MB of memory in use. ENERGY: 3827800 782.9259 2160.3850 1929.7774 111.1299 -206086.5977 17860.2927 0.0000 0.0000 34188.0446 -149054.0423 298.5727 -183242.0869 -148961.9530 299.7165 44.1358 76.9344 557387.0470 0.5236 0.5248 PRESSURE: 3828000 -49.6347 -232.502 -54.3232 -232.502 152.72 108.392 -54.3237 108.392 126.498 GPRESSURE: 3828000 -44.5318 -189.794 6.14044 -167.792 168.541 81.1718 15.8383 130.563 193.406 PRESSAVG: 3828000 21.836 -7.31078 10.4442 -7.31081 57.1136 36.0656 10.4442 36.0656 -103.849 GPRESSAVG: 3828000 22.8125 -7.28163 8.67151 -5.78075 57.0535 35.3236 12.0445 38.4617 -104.391 TIMING: 3828000 CPU: 11472.1, 0.00300639/step Wall: 11472.1, 0.00300639/step, 0.978748 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: 3828000 704.6077 2130.1680 1922.1550 113.4847 -206418.6498 17961.5695 0.0000 0.0000 34320.7460 -149265.9189 299.7316 -183586.6649 -149168.1532 299.2791 76.5278 105.8051 558786.0597 -8.2997 -8.1748 PRESSURE: 3828200 43.7829 -20.3398 40.9494 -20.339 -19.96 -99.785 40.9498 -99.7856 -102.2 GPRESSURE: 3828200 69.5445 -65.7085 -85.3426 1.75561 18.3138 -51.5286 45.4222 -229.762 -66.1838 PRESSAVG: 3828200 32.3805 -29.1633 29.3963 -29.1633 -29.2316 -7.7981 29.3963 -7.79806 -42.5241 GPRESSAVG: 3828200 33.0074 -27.6374 29.7065 -30.4585 -29.4626 -7.92735 28.606 -8.85384 -42.503 TIMING: 3828200 CPU: 11472.8, 0.00306966/step Wall: 11472.8, 0.00306966/step, 0.999175 hours remaining, 206.906250 MB of memory in use. ENERGY: 3828200 722.4991 2074.8562 1935.1002 122.8623 -206259.3252 17781.5424 0.0000 0.0000 34328.5938 -149293.8710 299.8001 -183622.4648 -149196.0123 299.7811 -26.1259 7.2248 557780.5390 -13.1250 -12.9861 LDB: ============= START OF LOAD BALANCING ============== 11476.2 LDB: ============== END OF LOAD BALANCING =============== 11476.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11476.2 LDB: ============= START OF LOAD BALANCING ============== 11476.5 LDB: Largest compute 4819 load 0.021930 is 18.6% of average load 0.118206 LDB: Average compute 0.001717 is 1.5% of average load 0.118206 LDB: TIME 11476.5 LOAD: AVG 0.118206 MAX 0.220839 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.195 MB LDB: TIME 11476.5 LOAD: AVG 0.118206 MAX 0.220839 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.324 MB LDB: TIME 11476.5 LOAD: AVG 0.118206 MAX 0.220839 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.324 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11476.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11476.5 PRESSURE: 3828400 150.141 -182.589 82.0195 -182.59 33.1243 -35.0601 82.0201 -35.0582 -101.151 GPRESSURE: 3828400 151.498 -180.741 -40.6453 -276.408 38.3437 -93.0038 55.7359 -44.2288 -11.7387 PRESSAVG: 3828400 -3.88595 -38.9799 26.5334 -38.9798 -10.6006 12.1993 26.5333 12.1994 -2.07216 GPRESSAVG: 3828400 -3.65985 -38.3951 26.718 -39.3756 -10.1621 13.844 25.6939 12.2178 -2.47226 TIMING: 3828400 CPU: 11473.4, 0.00309234/step Wall: 11473.4, 0.00309234/step, 1.00638 hours remaining, 208.820312 MB of memory in use. ENERGY: 3828400 736.4478 2129.5756 1946.1106 123.6852 -206374.9553 17937.0715 0.0000 0.0000 34210.6374 -149291.4272 298.7700 -183502.0646 -149201.7567 299.2942 27.3713 59.3675 557947.3049 -5.5196 -5.4314 PRESSURE: 3828600 56.1465 -172.416 -27.3909 -172.414 -275.275 93.338 -27.3911 93.338 -108.995 GPRESSURE: 3828600 48.9203 -199.327 -69.8023 -207.91 -259.534 164.584 -14.4083 2.08688 -20.9668 PRESSAVG: 3828600 34.1995 -34.1074 44.3532 -34.1074 -22.7149 -13.6345 44.3532 -13.6345 -44.2997 GPRESSAVG: 3828600 33.777 -33.6453 45.208 -36.6431 -23.2887 -13.7905 43.3162 -13.8147 -43.2603 TIMING: 3828600 CPU: 11474, 0.00305771/step Wall: 11474, 0.00305771/step, 0.994945 hours remaining, 208.820312 MB of memory in use. ENERGY: 3828600 760.6153 2087.7279 1939.6692 126.4346 -205767.2931 17527.9228 0.0000 0.0000 34111.1729 -149213.7503 297.9014 -183324.9232 -149118.3789 299.0326 -109.3745 -77.1934 557540.2890 -10.9384 -10.9240 PRESSURE: 3828800 -54.6705 14.9454 -58.7924 14.9471 -79.252 -184.802 -58.7924 -184.803 -278.31 GPRESSURE: 3828800 -54.7485 -11.4762 -52.3845 -63.1295 -33.0458 -179.997 -92.5452 -184.295 -213.658 PRESSAVG: 3828800 40.4247 -20.8622 -3.65837 -20.8623 -9.29015 -80.4183 -3.65837 -80.4181 -46.341 GPRESSAVG: 3828800 39.7141 -22.2337 -4.06728 -17.6297 -8.27606 -81.4256 -2.89565 -79.7805 -46.4503 TIMING: 3828800 CPU: 11474.6, 0.00303647/step Wall: 11474.6, 0.00303647/step, 0.987865 hours remaining, 208.820312 MB of memory in use. ENERGY: 3828800 769.4954 2056.3893 1933.9635 110.7509 -205986.8582 17609.4781 0.0000 0.0000 34228.0448 -149278.7362 298.9220 -183506.7810 -149186.6910 299.2554 -137.4107 -100.4841 557851.9137 -5.0688 -5.0041 PRESSURE: 3829000 -38.6363 -111.177 -118.965 -111.175 163.377 -203.657 -118.967 -203.656 125.675 GPRESSURE: 3829000 55.8641 -79.91 -87.8267 -103.618 124.409 -76.011 -30.1063 -147.992 193.128 PRESSAVG: 3829000 -22.3521 -52.1436 14.2579 -52.1437 -17.421 -59.1795 14.2579 -59.1795 50.346 GPRESSAVG: 3829000 -23.2769 -51.6422 13.7089 -53.1912 -17.4048 -59.5948 17.0266 -58.095 50.5694 TIMING: 3829000 CPU: 11475.2, 0.00303804/step Wall: 11475.2, 0.00303804/step, 0.988206 hours remaining, 208.820312 MB of memory in use. ENERGY: 3829000 732.7326 2086.5842 1922.5843 112.3179 -206450.5064 17883.5388 0.0000 0.0000 34323.1415 -149389.6071 299.7525 -183712.7486 -149299.7717 299.2182 83.4719 124.4670 554889.1124 3.5243 3.2959 PRESSURE: 3829200 86.7728 -167.756 64.9159 -167.754 -39.8579 65.672 64.9158 65.6724 -43.2517 GPRESSURE: 3829200 200.575 -233.912 33.6284 -50.1674 -9.95179 -6.92273 119.235 180.929 -86.569 PRESSAVG: 3829200 3.38321 -68.8258 -44.8904 -68.8257 -25.4357 30.6673 -44.8904 30.6673 13.3142 GPRESSAVG: 3829200 3.70488 -69.5482 -44.8341 -68.8212 -26.1535 31.1076 -45.1421 29.6702 13.7037 TIMING: 3829200 CPU: 11475.8, 0.00302495/step Wall: 11475.8, 0.00302495/step, 0.98378 hours remaining, 208.820312 MB of memory in use. ENERGY: 3829200 728.1953 2042.6179 1928.6743 112.6402 -206434.0126 17814.4666 0.0000 0.0000 34505.2034 -149302.2149 301.3425 -183807.4183 -149206.2132 298.8566 1.2211 34.6846 555920.6563 -2.9128 -2.9150 PRESSURE: 3829400 -199.073 -85.4538 -195.405 -85.454 93.7319 -102.656 -195.406 -102.656 -105.88 GPRESSURE: 3829400 -174.012 -107.56 -163.676 -74.4965 115.098 -59.5702 -166.933 -117.737 -70.5604 PRESSAVG: 3829400 -76.4361 6.41337 9.22414 6.41347 6.67779 -6.04509 9.22405 -6.04505 54.335 GPRESSAVG: 3829400 -75.9335 5.49989 10.5892 6.43521 7.30484 -6.48454 8.09711 -5.21127 53.8681 TIMING: 3829400 CPU: 11476.4, 0.00300884/step Wall: 11476.4, 0.00300884/step, 0.978373 hours remaining, 208.820312 MB of memory in use. ENERGY: 3829400 742.4441 2132.8636 1960.4620 124.4491 -205970.7712 17634.5713 0.0000 0.0000 34207.0051 -149168.9760 298.7383 -183375.9811 -149073.2521 299.1395 -70.4070 -43.1579 556305.4834 -5.1411 -4.9202 PRESSURE: 3829600 235.561 225.971 214.977 225.972 56.0656 -7.76802 214.976 -7.77034 103.383 GPRESSURE: 3829600 204.515 224.778 119.242 193.981 124.79 -69.9573 213.755 93.3847 154.561 PRESSAVG: 3829600 14.1833 -42.1006 -5.11464 -42.1005 -10.5231 42.9195 -5.11466 42.9196 51.8605 GPRESSAVG: 3829600 14.3843 -40.5596 -5.6372 -42.5783 -10.7558 42.4212 -5.24098 43.1396 52.1653 TIMING: 3829600 CPU: 11477, 0.00301241/step Wall: 11477, 0.00301241/step, 0.979366 hours remaining, 208.820312 MB of memory in use. ENERGY: 3829600 700.1633 2096.2005 1925.4454 115.4880 -206460.7685 17965.7915 0.0000 0.0000 34487.1006 -149170.5793 301.1844 -183657.6799 -149079.8099 300.1897 131.6699 161.2891 555840.0531 18.5069 18.5979 PRESSURE: 3829800 -27.2572 34.6332 -98.5271 34.6325 12.6415 -12.7688 -98.5276 -12.7674 151.287 GPRESSURE: 3829800 72.1583 -42.7655 61.749 23.1958 22.7853 -0.572616 -195.431 84.5319 140.17 PRESSAVG: 3829800 17.5853 39.6079 60.5354 39.6078 3.24881 21.833 60.5354 21.833 16.8362 GPRESSAVG: 3829800 18.3108 40.0705 62.5459 39.4144 3.7058 23.2284 59.9975 20.5007 15.7927 TIMING: 3829800 CPU: 11477.6, 0.0030209/step Wall: 11477.6, 0.0030209/step, 0.981961 hours remaining, 208.820312 MB of memory in use. ENERGY: 3829800 711.9195 2087.8570 1942.5489 125.8953 -206226.3580 17866.1065 0.0000 0.0000 34455.4256 -149036.6053 300.9078 -183492.0309 -148944.1064 300.0859 45.5572 78.3713 557264.0103 12.5568 12.6031 PRESSURE: 3830000 -218.669 -29.742 -103.479 -29.7415 -260.962 -7.95375 -103.479 -7.95416 -108.494 GPRESSURE: 3830000 -207.614 -53.0358 -114.611 -52.8323 -183.256 -41.1179 -138.553 -6.13561 -96.0584 PRESSAVG: 3830000 -37.9198 31.2653 -67.6828 31.2654 -5.63318 37.9496 -67.6828 37.9495 26.8894 GPRESSAVG: 3830000 -39.16 30.797 -68.5471 31.208 -5.8855 38.2519 -68.2678 36.7579 28.776 TIMING: 3830000 CPU: 11478.2, 0.00302513/step Wall: 11478.2, 0.00302513/step, 0.983166 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: 3830000 735.0868 2051.9801 1936.7256 119.8172 -205654.1617 17397.4076 0.0000 0.0000 34379.3702 -149033.7742 300.2436 -183413.1444 -148941.5797 299.8215 -196.0415 -162.3093 557033.8782 -5.5545 -5.4232 PRESSURE: 3830200 -66.727 -82.6833 85.712 -82.6826 142.599 -203.737 85.7123 -203.735 -269.372 GPRESSURE: 3830200 36.1016 -47.3697 149.653 -53.5689 152.808 -206.238 46.8771 -187.561 -278.165 PRESSAVG: 3830200 -29.4596 -40.361 -33.6173 -40.3609 40.4388 5.87683 -33.6173 5.87687 34.4531 GPRESSAVG: 3830200 -29.0237 -39.2013 -33.4429 -40.1543 39.7874 4.82362 -32.9715 7.39728 35.1324 TIMING: 3830200 CPU: 11478.8, 0.00301705/step Wall: 11478.8, 0.00301705/step, 0.980375 hours remaining, 208.820312 MB of memory in use. ENERGY: 3830200 729.5661 2108.2795 1952.7035 109.4360 -206059.5343 17824.4878 0.0000 0.0000 34356.8558 -148978.2057 300.0470 -183335.0615 -148886.0131 300.3021 -64.4998 -29.7516 557794.2916 15.1441 15.2987 PRESSURE: 3830400 -18.7811 40.2663 -75.9401 40.2683 -354.66 -4.08871 -75.9401 -4.08995 -181.066 GPRESSURE: 3830400 -50.5783 33.262 -46.3489 65.4654 -325.158 27.4449 -25.773 -31.2187 -90.4259 PRESSAVG: 3830400 -67.3729 -3.03404 -53.5373 -3.03406 22.3247 -57.3657 -53.5374 -57.3656 8.05754 GPRESSAVG: 3830400 -66.816 -3.26198 -54.3188 -4.51343 22.4332 -58.3791 -51.6656 -57.6831 7.48763 TIMING: 3830400 CPU: 11479.4, 0.00305071/step Wall: 11479.4, 0.00305071/step, 0.991143 hours remaining, 208.820312 MB of memory in use. ENERGY: 3830400 741.4140 2121.1958 1908.8715 124.8697 -205762.2235 17613.9390 0.0000 0.0000 34336.3290 -148915.6044 299.8677 -183251.9335 -148818.3772 299.8683 -184.8357 -155.3875 558607.8616 -12.3302 -12.2984 PRESSURE: 3830600 -140.276 -12.2469 -200.44 -12.247 -21.4404 -34.1865 -200.44 -34.187 -156.124 GPRESSURE: 3830600 -110.095 -35.3817 -140.776 -30.5585 -14.2883 78.4501 -236.66 -96.7962 -103.467 PRESSAVG: 3830600 21.8601 -65.2317 21.0564 -65.2316 5.92921 17.753 21.0564 17.7529 -56.3793 GPRESSAVG: 3830600 21.8014 -65.1143 21.8975 -63.9542 6.14547 19.6035 18.3053 16.8129 -56.0003 TIMING: 3830600 CPU: 11480, 0.00304985/step Wall: 11480, 0.00304985/step, 0.990692 hours remaining, 208.820312 MB of memory in use. ENERGY: 3830600 754.2482 2094.9850 1940.3545 109.0359 -205652.3856 17654.2848 0.0000 0.0000 34071.3786 -149028.0985 297.5538 -183099.4771 -148929.7694 299.5625 -105.9466 -75.9501 558035.2402 -9.5300 -9.3512 PRESSURE: 3830800 -212.618 162.383 -114.209 162.382 96.468 169.941 -114.209 169.941 120.458 GPRESSURE: 3830800 -224.898 71.1243 -117.042 211.082 137.094 73.9439 -84.1684 182.954 184.59 PRESSAVG: 3830800 -39.4767 6.86872 -56.5387 6.8687 48.5637 3.07063 -56.5387 3.07065 -5.60855 GPRESSAVG: 3830800 -38.8748 5.19159 -57.7668 7.75626 49.3524 2.26925 -54.8271 3.55947 -6.76384 TIMING: 3830800 CPU: 11480.7, 0.00308171/step Wall: 11480.7, 0.00308171/step, 1.00087 hours remaining, 208.820312 MB of memory in use. ENERGY: 3830800 777.1264 2071.6953 1948.8524 116.4693 -206397.0584 18003.1737 0.0000 0.0000 34357.7536 -149121.9877 300.0548 -183479.7413 -149020.9102 299.2878 1.4363 32.2617 556922.0309 1.1595 1.2379 PRESSURE: 3831000 -77.6662 220.532 105.474 220.533 211.634 67.6602 105.474 67.6597 -14.7171 GPRESSURE: 3831000 0.47819 250.799 174.592 146.811 236.039 123.144 125.169 76.5595 -12.9424 PRESSAVG: 3831000 -30.3298 27.1485 -2.16849 27.1485 29.3481 22.5718 -2.16849 22.5719 -2.98992 GPRESSAVG: 3831000 -30.9069 27.7597 -0.887382 27.1269 30.0677 22.8706 -3.73161 23.9679 -2.84545 TIMING: 3831000 CPU: 11481.3, 0.00304304/step Wall: 11481.3, 0.00304304/step, 0.988143 hours remaining, 208.820312 MB of memory in use. ENERGY: 3831000 704.2573 2102.8951 1912.0484 101.6447 -206217.6712 17920.0812 0.0000 0.0000 34229.0298 -149247.7147 298.9306 -183476.7445 -149152.5586 299.2933 39.7503 74.5248 558946.0674 -1.3239 -1.2282 PRESSURE: 3831200 -191.388 88.3758 127.725 88.3762 92.8487 -10.6629 127.727 -10.6629 -1.98381 GPRESSURE: 3831200 -139.623 42.7117 135.657 75.093 75.9933 -2.32294 51.5979 -25.5821 55.77 PRESSAVG: 3831200 -47.4502 -5.58044 5.54248 -5.58043 62.8843 -13.1383 5.5425 -13.1383 -14.5984 GPRESSAVG: 3831200 -45.4296 -3.99598 4.18745 -6.44518 61.6601 -13.791 6.64719 -13.8813 -14.975 TIMING: 3831200 CPU: 11481.9, 0.0030719/step Wall: 11481.9, 0.0030719/step, 0.997344 hours remaining, 208.820312 MB of memory in use. ENERGY: 3831200 735.7615 2097.1447 1931.5375 104.5396 -205941.7267 17686.9176 0.0000 0.0000 34100.5449 -149285.2809 297.8085 -183385.8258 -149189.7013 299.2233 -33.5076 -2.6199 557580.4068 0.2786 0.4185 PRESSURE: 3831400 -55.5152 -14.5179 79.8402 -14.5191 -153.871 102.619 79.8394 102.619 19.7396 GPRESSURE: 3831400 -28.6036 -15.5466 123.953 -49.1921 -112.692 104.581 23.8226 40.2613 46.0153 PRESSAVG: 3831400 -47.199 8.28367 5.62579 8.28356 79.3688 17.0652 5.62578 17.0652 -42.3816 GPRESSAVG: 3831400 -48.5165 7.09806 5.38087 9.92405 80.3449 18.8073 5.51632 16.7754 -41.6789 TIMING: 3831400 CPU: 11482.5, 0.00304199/step Wall: 11482.5, 0.00304199/step, 0.987465 hours remaining, 208.820312 MB of memory in use. ENERGY: 3831400 770.5569 2016.1549 1932.5438 110.2970 -206394.8850 17933.8206 0.0000 0.0000 34385.4320 -149246.0797 300.2965 -183631.5118 -149155.1058 300.1815 -63.2154 -31.7601 557356.8273 -3.4039 -3.2835 PRESSURE: 3831600 -33.6094 -20.2855 55.0111 -20.286 -59.3434 -99.0906 55.0117 -99.0906 -119.984 GPRESSURE: 3831600 -34.81 8.52192 47.5982 -68.2941 -67.5574 -172.363 24.7783 -102.366 -15.732 PRESSAVG: 3831600 -45.1579 8.62332 8.83168 8.62331 -22.758 -26.4925 8.83173 -26.4925 42.2227 GPRESSAVG: 3831600 -44.7979 8.6616 8.34402 5.84909 -24.687 -29.0021 9.99639 -26.0664 43.5737 TIMING: 3831600 CPU: 11483.1, 0.00307285/step Wall: 11483.1, 0.00307285/step, 0.997311 hours remaining, 208.820312 MB of memory in use. ENERGY: 3831600 785.5447 2122.7582 1937.4657 112.4002 -206204.9229 17851.2150 0.0000 0.0000 34242.1653 -149153.3738 299.0453 -183395.5391 -149064.0708 299.0937 -70.9788 -39.3665 557738.3150 -8.5644 -8.6371 PRESSURE: 3831800 219.222 58.2242 15.6576 58.2233 -43.8447 -153.976 15.657 -153.976 -8.50212 GPRESSURE: 3831800 280.711 53.0729 9.12737 27.6851 -46.9003 -101.898 64.8909 -193.54 43.9314 PRESSAVG: 3831800 -38.9105 65.1902 -11.5097 65.1901 -34.24 37.2725 -11.5098 37.2726 59.6895 GPRESSAVG: 3831800 -39.2175 65.1485 -10.7621 66.5463 -32.9461 37.3414 -12.239 37.5681 59.0204 TIMING: 3831800 CPU: 11483.7, 0.00305838/step Wall: 11483.7, 0.00305838/step, 0.992443 hours remaining, 208.820312 MB of memory in use. ENERGY: 3831800 735.9773 2132.2703 1937.0306 130.4505 -206257.1135 17858.0131 0.0000 0.0000 34377.8711 -149085.5005 300.2305 -183463.3716 -148979.2441 299.2401 55.6250 92.5806 557339.6522 -4.4870 -4.3811 PRESSURE: 3832000 -170.487 74.8664 -94.7164 74.8676 -33.7941 84.9803 -94.7164 84.9805 -225.917 GPRESSURE: 3832000 -157.93 113.351 -89.2672 -55.4061 -29.8358 166.384 -56.0632 43.7508 -140.883 PRESSAVG: 3832000 5.6705 38.6534 -45.3086 38.6534 29.4707 17.7234 -45.3086 17.7233 10.9086 GPRESSAVG: 3832000 5.74169 38.4287 -46.1114 38.0374 28.0041 17.5422 -44.7601 19.5317 11.0956 TIMING: 3832000 CPU: 11484.3, 0.00305015/step Wall: 11484.3, 0.00305015/step, 0.989605 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: 3832000 765.8964 2104.4233 1933.7386 133.8109 -205997.5263 17607.2189 0.0000 0.0000 34525.3592 -148927.0790 301.5185 -183452.4382 -148832.2321 300.1881 -143.3994 -109.5495 557268.3050 15.3500 14.9471 PRESSURE: 3832200 -183.998 -136.661 -88.5535 -136.661 -277.81 -146.503 -88.5519 -146.503 35.8893 GPRESSURE: 3832200 -229.577 -98.3647 -113.324 -26.4736 -236.176 -173.085 -129.544 -136.492 156.073 PRESSAVG: 3832200 -63.4697 29.4279 -53.558 29.4279 45.2276 21.2345 -53.558 21.2345 17.4863 GPRESSAVG: 3832200 -63.4132 29.4754 -54.7612 29.0059 46.4141 20.783 -53.0853 20.0846 16.1627 TIMING: 3832200 CPU: 11484.9, 0.00302724/step Wall: 11484.9, 0.00302724/step, 0.982002 hours remaining, 208.820312 MB of memory in use. ENERGY: 3832200 767.3409 2167.1515 1912.1867 125.9781 -205874.9328 17669.8172 0.0000 0.0000 34266.6997 -148965.7586 299.2596 -183232.4583 -148869.2015 300.4941 -141.9732 -103.2266 558068.7071 -0.2519 -0.2788 LDB: ============= START OF LOAD BALANCING ============== 11488.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11488.4 LDB: =============== DONE WITH MIGRATION ================ 11488.4 LDB: ============= START OF LOAD BALANCING ============== 11488.7 LDB: Largest compute 4820 load 0.019774 is 16.7% of average load 0.118172 LDB: Average compute 0.001718 is 1.5% of average load 0.118172 LDB: TIME 11488.7 LOAD: AVG 0.118172 MAX 0.217867 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.699 MB LDB: TIME 11488.7 LOAD: AVG 0.118172 MAX 0.217867 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: TIME 11488.7 LOAD: AVG 0.118172 MAX 0.217867 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11488.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11488.7 PRESSURE: 3832400 -49.9884 -10.4219 111.652 -10.4223 -123.939 -92.4185 111.652 -92.418 227.726 GPRESSURE: 3832400 -30.923 -6.37958 50.6697 -20.5435 -43.4949 -132.168 227.558 59.6442 218.596 PRESSAVG: 3832400 -25.6136 35.7141 18.951 35.7141 46.8384 24.4109 18.9509 24.411 -35.0745 GPRESSAVG: 3832400 -25.9575 37.3272 19.959 34.122 46.5155 24.1611 18.1724 24.0068 -34.7434 TIMING: 3832400 CPU: 11485.6, 0.0031181/step Wall: 11485.6, 0.0031181/step, 1.0113 hours remaining, 206.316406 MB of memory in use. ENERGY: 3832400 732.2174 2128.6328 1956.4320 112.7522 -205873.0789 17692.0816 0.0000 0.0000 34111.5306 -149139.4323 297.9045 -183250.9628 -149053.8675 298.6916 17.9327 48.0594 557260.9874 -4.6165 -4.7285 PRESSURE: 3832600 -0.962113 74.795 111.078 74.7949 229.06 39.1732 111.079 39.1735 -20.1196 GPRESSURE: 3832600 26.6856 76.2996 176.829 101.431 233.979 71.4425 156.812 22.4137 38.4382 PRESSAVG: 3832600 -17.8317 -0.0394576 -12.6566 -0.0395049 -24.5023 47.993 -12.6566 47.9928 52.2401 GPRESSAVG: 3832600 -17.2352 -2.0803 -11.6717 3.35798 -25.1547 47.3338 -13.0412 49.1522 52.4185 TIMING: 3832600 CPU: 11486.2, 0.00304358/step Wall: 11486.2, 0.00304358/step, 0.986965 hours remaining, 206.519531 MB of memory in use. ENERGY: 3832600 762.6555 2097.3048 1928.8991 116.7701 -206002.6643 17844.3683 0.0000 0.0000 34316.0235 -148936.6431 299.6904 -183252.6666 -148837.1198 299.6045 69.3261 99.7008 557094.0222 3.3020 3.3429 PRESSURE: 3832800 91.99 35.1536 -133.946 35.1544 -54.1205 -266.973 -133.946 -266.973 -111.381 GPRESSURE: 3832800 63.4026 8.69887 -199.72 36.3137 1.58452 -220.591 -75.873 -238.426 -49.0703 PRESSAVG: 3832800 -20.0191 50.1085 -16.9562 50.1085 43.3847 -30.7315 -16.9562 -30.7315 8.85238 GPRESSAVG: 3832800 -20.2984 49.6685 -17.6757 49.7145 43.4786 -28.3612 -16.0283 -34.665 9.82834 TIMING: 3832800 CPU: 11486.8, 0.00304348/step Wall: 11486.8, 0.00304348/step, 0.986765 hours remaining, 206.519531 MB of memory in use. ENERGY: 3832800 765.6121 2146.4169 1940.7817 107.6675 -205974.0029 17670.0611 0.0000 0.0000 34421.8021 -148921.6615 300.6142 -183343.4636 -148823.2739 299.6503 -24.5037 5.3056 556604.1337 10.7393 11.0029 PRESSURE: 3833000 -85.0744 238.994 143.708 238.995 149.862 40.2492 143.708 40.2511 -226.8 GPRESSURE: 3833000 -65.6771 204.263 88.5221 254.436 188.388 5.91062 143.574 36.3554 -190.577 PRESSAVG: 3833000 -47.7341 12.0233 -2.23042 12.0234 29.3614 -2.91836 -2.23046 -2.9183 22.9751 GPRESSAVG: 3833000 -48.089 11.7218 -1.70159 13.1215 27.9431 -4.46124 -3.73986 -0.386874 24.2839 TIMING: 3833000 CPU: 11487.4, 0.00302004/step Wall: 11487.4, 0.00302004/step, 0.978998 hours remaining, 206.519531 MB of memory in use. ENERGY: 3833000 747.2052 2089.9617 1923.0499 110.7004 -205727.2316 17585.5114 0.0000 0.0000 34345.0205 -148925.7825 299.9436 -183270.8030 -148834.1430 300.6747 -54.0043 -22.6220 557438.0166 1.5341 1.3793 PRESSURE: 3833200 -328.175 4.29259 -59.7605 4.29191 -241.344 -18.3478 -59.7603 -18.3473 -415.737 GPRESSURE: 3833200 -258.826 -6.47151 -59.7366 17.2539 -204.14 22.6636 -39.7033 -8.44887 -424.703 PRESSAVG: 3833200 -24.8191 7.8365 25.3545 7.83645 33.584 38.2027 25.3545 38.2027 28.3225 GPRESSAVG: 3833200 -23.6205 9.10906 26.0058 6.1572 34.8096 39.5703 25.674 37.4132 26.0641 TIMING: 3833200 CPU: 11488, 0.00304705/step Wall: 11488, 0.00304705/step, 0.987584 hours remaining, 206.519531 MB of memory in use. ENERGY: 3833200 789.3499 2050.6237 1958.0313 112.4442 -205575.8446 17285.5288 0.0000 0.0000 34548.1848 -148831.6821 301.7179 -183379.8669 -148745.6987 300.8259 -328.4188 -295.8897 557022.8601 12.3624 12.4177 PRESSURE: 3833400 -125.798 41.8786 75.0184 41.8778 215.518 -90.0665 75.0185 -90.0672 -63.5606 GPRESSURE: 3833400 -160.88 5.34306 39.6735 113.24 243.152 17.3916 -3.51854 -132.694 34.7204 PRESSAVG: 3833400 -29.4313 23.1605 -20.8717 23.1604 73.2629 -42.2247 -20.8718 -42.2247 -10.6913 GPRESSAVG: 3833400 -32.289 22.5142 -21.4682 23.5041 73.5227 -42.3428 -21.0163 -42.0708 -8.46284 TIMING: 3833400 CPU: 11488.6, 0.00306813/step Wall: 11488.6, 0.00306813/step, 0.994243 hours remaining, 206.519531 MB of memory in use. ENERGY: 3833400 738.1683 2128.0441 1933.5146 110.2083 -205802.8649 17749.4845 0.0000 0.0000 34346.6965 -148796.7486 299.9582 -183143.4451 -148691.3138 299.8699 8.7198 38.9975 556643.8195 11.0468 10.9236 PRESSURE: 3833600 -411.74 21.1327 -34.0658 21.1328 -60.5455 219.628 -34.0664 219.626 -62.9485 GPRESSURE: 3833600 -352.314 55.0973 -109.292 -6.46577 -72.6279 159.075 19.9081 168.694 -25.9231 PRESSAVG: 3833600 -32.3908 36.9881 -13.3755 36.9881 54.6616 8.10441 -13.3755 8.10427 4.26529 GPRESSAVG: 3833600 -31.174 37.9837 -13.0787 36.4929 53.8242 8.66605 -10.8589 7.91604 3.53743 TIMING: 3833600 CPU: 11489.2, 0.00308008/step Wall: 11489.2, 0.00308008/step, 0.997946 hours remaining, 206.519531 MB of memory in use. ENERGY: 3833600 757.8963 2085.9231 1967.8426 120.6712 -206009.0189 17824.2339 0.0000 0.0000 34456.8590 -148795.5928 300.9203 -183252.4519 -148702.8477 300.8846 -178.4114 -150.2884 558156.3587 8.8453 8.7292 PRESSURE: 3833800 355.206 68.062 -83.4005 68.0604 -42.4896 7.86433 -83.4009 7.86419 73.9575 GPRESSURE: 3833800 390.356 46.322 -105.448 31.8978 6.78973 79.4721 -147.04 38.232 90.8465 PRESSAVG: 3833800 -25.3151 33.5603 5.94636 33.5603 -17.1337 -0.19079 5.94639 -0.190856 7.96304 GPRESSAVG: 3833800 -26.194 33.7596 6.00988 33.4645 -16.2178 -0.984182 3.4786 2.07766 7.77964 TIMING: 3833800 CPU: 11489.8, 0.00304889/step Wall: 11489.8, 0.00304889/step, 0.98767 hours remaining, 206.519531 MB of memory in use. ENERGY: 3833800 761.4051 2149.2223 1966.7997 124.6496 -205860.5864 17970.7978 0.0000 0.0000 34316.2407 -148571.4711 299.6923 -182887.7118 -148483.5688 300.1746 128.8912 162.6642 558531.6329 -11.4953 -11.5440 PRESSURE: 3834000 -50.7773 122.283 -18.8283 122.283 239.532 135.495 -18.8266 135.495 331.467 GPRESSURE: 3834000 -9.70849 146.389 12.9888 109.58 286.354 118.983 41.4501 80.7096 339.245 PRESSAVG: 3834000 15.1825 20.052 31.1569 20.0521 -9.73292 -29.5209 31.1568 -29.5209 49.3545 GPRESSAVG: 3834000 15.2998 20.0227 33.2633 20.8752 -10.9306 -28.5103 31.8887 -31.9718 50.5055 TIMING: 3834000 CPU: 11490.4, 0.00303875/step Wall: 11490.4, 0.00303875/step, 0.984219 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: 3834000 735.6723 2120.9895 1998.5685 125.9392 -205996.3580 17970.4978 0.0000 0.0000 34462.1875 -148582.5032 300.9669 -183044.6907 -148486.7400 300.8731 173.4073 205.2967 557367.4791 18.2680 18.2916 PRESSURE: 3834200 -135.313 100.714 31.3347 100.715 -296.357 -294.304 31.3338 -294.303 162.271 GPRESSURE: 3834200 -120.472 93.9661 23.2118 34.5054 -231.396 -247.222 67.4623 -247.1 183.837 PRESSAVG: 3834200 14.565 5.60012 63.7822 5.60012 16.1627 11.4511 63.7822 11.451 -50.1992 GPRESSAVG: 3834200 14.3544 3.58585 61.9263 3.70571 17.2126 8.99245 65.9018 11.3443 -50.9662 TIMING: 3834200 CPU: 11491, 0.00303094/step Wall: 11491, 0.00303094/step, 0.981519 hours remaining, 206.519531 MB of memory in use. ENERGY: 3834200 767.1825 2158.2920 1967.9316 100.5107 -205511.8968 17676.4829 0.0000 0.0000 34187.0027 -148654.4944 298.5636 -182841.4971 -148552.0002 300.1377 -89.7998 -56.0103 557904.2648 -6.4905 -6.4664 PRESSURE: 3834400 -5.38783 101.581 -43.8166 101.581 -26.3144 88.4447 -43.8174 88.4447 -80.8411 GPRESSURE: 3834400 -33.8673 2.05771 17.4003 151.149 29.3524 154.443 -37.4189 20.1028 -23.1328 PRESSAVG: 3834400 -34.2908 4.90915 -28.4968 4.90915 -26.3443 -4.33727 -28.4968 -4.33737 48.7783 GPRESSAVG: 3834400 -35.2313 6.5183 -28.0512 6.17 -26.5232 -1.82753 -30.4227 -3.94782 49.4124 TIMING: 3834400 CPU: 11491.7, 0.00303312/step Wall: 11491.7, 0.00303312/step, 0.982056 hours remaining, 206.519531 MB of memory in use. ENERGY: 3834400 738.7299 2101.5582 1954.4234 106.5220 -205400.9844 17639.8896 0.0000 0.0000 34128.7625 -148731.0988 298.0550 -182859.8613 -148627.3254 299.8899 -37.5145 -9.2159 558333.8965 -3.9523 -4.1141 PRESSURE: 3834600 -86.8277 -156.335 -68.8524 -156.334 -9.24754 100.579 -68.8527 100.579 -98.4946 GPRESSURE: 3834600 -90.8479 -174.539 -49.1456 -52.0272 28.2924 47.8052 -106.997 145.86 -36.8637 PRESSAVG: 3834600 -10.0171 -13.5929 16.5472 -13.5929 -0.742437 -7.96399 16.5473 -7.96399 -13.2724 GPRESSAVG: 3834600 -8.65098 -14.7247 15.5246 -13.0298 -0.600943 -10.5281 18.1449 -7.33742 -14.1544 TIMING: 3834600 CPU: 11492.3, 0.00306223/step Wall: 11492.3, 0.00306223/step, 0.991312 hours remaining, 206.519531 MB of memory in use. ENERGY: 3834600 733.7593 2169.3082 1923.1101 117.9899 -205831.8862 17588.4803 0.0000 0.0000 34489.4729 -148809.7654 301.2051 -183299.2383 -148706.7060 300.2231 -64.8566 -33.1398 558003.9527 -8.0107 -7.8021 PRESSURE: 3834800 -133.21 13.7859 -7.08334 13.7867 -199.844 -100.239 -7.08285 -100.241 -302.86 GPRESSURE: 3834800 -12.8903 6.55192 17.0713 -21.0672 -193.213 -37.3008 -87.1607 -153.689 -317.197 PRESSAVG: 3834800 28.4954 -3.88631 -27.3506 -3.88625 -2.12519 -75.7956 -27.3507 -75.7956 7.03852 GPRESSAVG: 3834800 28.3751 -2.74186 -27.5546 -4.25898 -2.76575 -71.9695 -28.6123 -76.1838 7.58149 TIMING: 3834800 CPU: 11492.9, 0.00308287/step Wall: 11492.9, 0.00308287/step, 0.997822 hours remaining, 206.519531 MB of memory in use. ENERGY: 3834800 698.9364 2148.8699 1952.6516 126.7236 -205341.8176 17319.7487 0.0000 0.0000 34295.7107 -148799.1768 299.5130 -183094.8875 -148703.5656 299.9333 -211.9712 -174.4333 558411.6186 11.1362 11.0636 PRESSURE: 3835000 -105.013 28.1398 -49.0263 28.1393 11.1383 41.1474 -49.0279 41.1467 -165.096 GPRESSURE: 3835000 -91.8958 24.5422 -0.00183389 19.24 52.7594 63.9828 -118.257 61.5271 -134.846 PRESSAVG: 3835000 -33.872 -11.3524 -9.64271 -11.3524 38.392 -17.8411 -9.64266 -17.8411 18.1298 GPRESSAVG: 3835000 -34.4544 -12.4195 -8.22644 -11.4281 37.979 -21.1675 -10.8129 -17.6435 19.2312 TIMING: 3835000 CPU: 11493.5, 0.00305919/step Wall: 11493.5, 0.00305919/step, 0.989988 hours remaining, 206.519531 MB of memory in use. ENERGY: 3835000 761.3183 2066.5720 1951.2187 106.0840 -205555.3923 17672.0068 0.0000 0.0000 34214.6958 -148783.4967 298.8054 -182998.1925 -148684.5227 299.9940 -86.3236 -57.9942 559047.8360 7.5499 7.5853 PRESSURE: 3835200 -287.433 92.8407 25.2341 92.8401 -75.447 11.553 25.2335 11.5539 62.5314 GPRESSURE: 3835200 -176.644 80.9956 -51.11 99.084 -51.4511 70.2498 61.8122 -15.482 29.3611 PRESSAVG: 3835200 -87.6931 48.3991 -45.5721 48.3991 48.1686 -4.7071 -45.5722 -4.70714 28.8476 GPRESSAVG: 3835200 -87.2926 47.0204 -45.9449 49.5389 49.3386 -4.11342 -47.4239 -5.08948 27.151 TIMING: 3835200 CPU: 11494.1, 0.0030424/step Wall: 11494.1, 0.0030424/step, 0.984384 hours remaining, 206.519531 MB of memory in use. ENERGY: 3835200 755.9699 2076.6793 1969.6058 106.7857 -205575.3377 17484.9674 0.0000 0.0000 34482.3114 -148699.0182 301.1426 -183181.3297 -148600.9871 300.8249 -100.1163 -66.2446 558010.6525 -3.5590 -3.6010 PRESSURE: 3835400 -24.3396 -1.02806 -58.2231 -1.02938 -205.236 -117.382 -58.2246 -117.382 28.0209 GPRESSURE: 3835400 -14.0079 79.6972 10.9598 -46.375 -137.791 -169.489 -93.896 -38.9546 47.6104 PRESSAVG: 3835400 -62.1526 17.4448 20.4425 17.4446 -25.9622 -45.1376 20.4426 -45.1377 78.5454 GPRESSAVG: 3835400 -62.6289 19.7938 21.8751 17.3922 -26.1026 -43.1299 21.6356 -45.936 79.5034 TIMING: 3835400 CPU: 11494.7, 0.00304142/step Wall: 11494.7, 0.00304142/step, 0.9839 hours remaining, 206.519531 MB of memory in use. ENERGY: 3835400 733.1551 2106.1964 1965.9437 123.1118 -205411.8646 17609.0733 0.0000 0.0000 33934.8799 -148939.5044 296.3617 -182874.3843 -148848.8673 300.1972 -67.1851 -34.7296 559379.7958 -3.1898 -3.0760 PRESSURE: 3835600 364.712 -77.6015 -18.2821 -77.5994 245.847 170.245 -18.281 170.244 123.146 GPRESSURE: 3835600 382.777 -53.1028 -87.1748 -98.7413 324.728 140.294 -47.5287 252.954 110.016 PRESSAVG: 3835600 -26.313 -53.5601 74.9611 -53.5601 -77.5765 0.301254 74.961 0.301261 80.4367 GPRESSAVG: 3835600 -26.9667 -52.7773 72.7902 -54.6679 -77.8995 -0.925568 75.3452 1.18103 81.5767 TIMING: 3835600 CPU: 11495.3, 0.00303999/step Wall: 11495.3, 0.00303999/step, 0.983268 hours remaining, 206.519531 MB of memory in use. ENERGY: 3835600 737.1289 2118.5671 1952.3896 134.9552 -206312.9100 18192.6166 0.0000 0.0000 34382.7985 -148794.4541 300.2735 -183177.2525 -148693.2356 300.3183 244.5686 272.5067 558515.7941 -7.8176 -7.7631 PRESSURE: 3835800 104.276 -232.535 -60.7369 -232.535 -40.9682 80.473 -60.7357 80.4731 159.744 GPRESSURE: 3835800 102.048 -167.734 -64.1054 -277.916 22.4327 36.1598 -73.1924 129.86 186.296 PRESSAVG: 3835800 -19.3987 -43.0345 -20.5396 -43.0345 -8.00567 30.343 -20.5396 30.343 -1.8262 GPRESSAVG: 3835800 -19.087 -45.072 -18.7301 -43.5577 -7.3023 29.4916 -21.5752 28.5209 -3.25797 TIMING: 3835800 CPU: 11495.9, 0.00304743/step Wall: 11495.9, 0.00304743/step, 0.985504 hours remaining, 206.519531 MB of memory in use. ENERGY: 3835800 781.3030 2087.3605 1946.4221 111.5105 -206043.5731 17884.5972 0.0000 0.0000 34381.3746 -148851.0053 300.2611 -183232.3799 -148757.4754 300.2360 74.3506 103.5923 558983.5541 -9.7435 -9.8824 PRESSURE: 3836000 -460.124 -181.865 63.3483 -181.865 94.9518 -25.7174 63.3475 -25.7175 -242.453 GPRESSURE: 3836000 -406.255 -63.4957 41.8653 -190.018 162.18 -59.6213 131.827 13.8768 -261.392 PRESSAVG: 3836000 -82.8139 33.2024 -9.2493 33.2023 34.4893 10.4163 -9.24926 10.4164 18.4903 GPRESSAVG: 3836000 -83.0038 34.1028 -10.236 33.5002 34.3129 10.3416 -7.96555 11.3737 18.8402 TIMING: 3836000 CPU: 11496.5, 0.00303498/step Wall: 11496.5, 0.00303498/step, 0.981311 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: 3836000 759.5284 2155.6816 1951.3854 111.3661 -205938.8923 17658.4265 0.0000 0.0000 34408.7035 -148893.8007 300.4998 -183302.5042 -148799.8061 300.1588 -202.5418 -168.4891 558030.6189 -9.9447 -9.9503 PRESSURE: 3836200 -15.3312 -132.318 -80.4895 -132.318 -93.601 -15.9205 -80.4907 -15.9204 -14.5817 GPRESSURE: 3836200 -5.10297 -45.2618 -23.8984 -192.468 -79.0902 -15.5829 -93.6089 -57.1485 41.621 PRESSAVG: 3836200 -16.9835 7.4374 10.054 7.43753 28.946 37.761 10.0541 37.761 -21.7191 GPRESSAVG: 3836200 -16.2819 8.50514 9.09051 7.13836 28.4945 39.0289 12.2584 36.8389 -21.5044 TIMING: 3836200 CPU: 11497.1, 0.00304909/step Wall: 11497.1, 0.00304909/step, 0.985702 hours remaining, 206.519531 MB of memory in use. ENERGY: 3836200 734.9595 2107.0459 1923.4533 117.4937 -206008.0605 17773.0334 0.0000 0.0000 34266.7434 -149085.3314 299.2600 -183352.0748 -148991.5579 300.1522 -41.1713 -14.1907 558392.0948 -3.2522 -3.0973 LDB: ============= START OF LOAD BALANCING ============== 11500.6 LDB: ============== END OF LOAD BALANCING =============== 11500.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11500.6 LDB: ============= START OF LOAD BALANCING ============== 11500.9 LDB: Largest compute 4819 load 0.020095 is 17.0% of average load 0.118147 LDB: Average compute 0.001712 is 1.4% of average load 0.118147 LDB: TIME 11500.9 LOAD: AVG 0.118147 MAX 0.218995 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.488 MB LDB: TIME 11500.9 LOAD: AVG 0.118147 MAX 0.218995 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.535 MB LDB: TIME 11500.9 LOAD: AVG 0.118147 MAX 0.218995 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.535 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11500.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11500.9 PRESSURE: 3836400 53.3536 102.354 124.242 102.354 -221.291 120.874 124.242 120.873 -11.4072 GPRESSURE: 3836400 69.2256 86.0538 145.213 87.9485 -219.776 146 180.93 141.431 61.1083 PRESSAVG: 3836400 -22.5062 -42.3994 41.4876 -42.3994 -21.3153 -3.61144 41.4876 -3.61142 61.9569 GPRESSAVG: 3836400 -23.5806 -46.0843 42.2068 -40.4701 -18.8566 -6.66117 39.5267 -3.18188 60.3394 TIMING: 3836400 CPU: 11497.8, 0.0030966/step Wall: 11497.8, 0.0030966/step, 1.00089 hours remaining, 208.246094 MB of memory in use. ENERGY: 3836400 780.4755 2081.8846 1940.6395 102.7647 -206509.3433 17895.3744 0.0000 0.0000 34443.9144 -149264.2902 300.8073 -183708.2046 -149167.4836 299.8652 -59.7817 -29.8140 555960.8865 6.0451 5.9674 PRESSURE: 3836600 -130.685 179.311 -54.3636 179.311 -338.688 98.5841 -54.3637 98.5854 -99.9951 GPRESSURE: 3836600 -80.9297 184.963 -98.1516 157.485 -312.002 84.1446 -64.7506 25.4988 -72.0711 PRESSAVG: 3836600 -49.9097 -36.814 40.2868 -36.814 9.73074 -68.0519 40.2869 -68.0518 11.2861 GPRESSAVG: 3836600 -49.219 -32.9839 41.372 -40.633 8.57079 -66.1562 40.1904 -67.8843 12.036 TIMING: 3836600 CPU: 11498.4, 0.00303368/step Wall: 11498.4, 0.00303368/step, 0.980385 hours remaining, 208.246094 MB of memory in use. ENERGY: 3836600 731.1294 2157.6848 1921.9246 116.4885 -205618.3950 17275.0047 0.0000 0.0000 34350.6023 -149065.5606 299.9924 -183416.1630 -148967.3233 300.0252 -189.7894 -155.0009 556595.9063 -9.6310 -9.5374 PRESSURE: 3836800 -15.8484 -62.7384 -59.6941 -62.7384 165.025 31.5483 -59.6927 31.5476 69.2252 GPRESSURE: 3836800 -2.9024 76.1442 -186.68 -89.429 187.77 -61.484 -46.0083 132.869 118.86 PRESSAVG: 3836800 31.3522 -32.8191 53.1379 -32.8191 20.0795 13.2778 53.138 13.2778 -43.6336 GPRESSAVG: 3836800 31.1898 -32.8701 51.1734 -29.3092 20.3694 12.4712 53.364 13.2484 -44.124 TIMING: 3836800 CPU: 11499, 0.00302896/step Wall: 11499, 0.00302896/step, 0.97869 hours remaining, 208.246094 MB of memory in use. ENERGY: 3836800 730.6768 2080.5059 1905.1542 111.2236 -205988.4958 17836.5258 0.0000 0.0000 34299.1789 -149025.2307 299.5433 -183324.4095 -148936.7600 300.0351 72.8004 101.2425 557121.0204 2.5994 2.4784 PRESSURE: 3837000 -209.852 -75.978 -127.634 -75.9784 -208.376 268.377 -127.633 268.379 -178.049 GPRESSURE: 3837000 -174.17 -144.937 -95.6867 -49.1073 -199.418 250.325 -93.1163 252.828 -121.528 PRESSAVG: 3837000 2.48927 -8.30369 38.3163 -8.3038 28.8421 -13.1754 38.3163 -13.1753 -42.0623 GPRESSAVG: 3837000 2.3358 -8.69044 39.3728 -10.8854 28.3531 -12.7941 38.9087 -12.6536 -41.7929 TIMING: 3837000 CPU: 11499.6, 0.00305778/step Wall: 11499.6, 0.00305778/step, 0.987834 hours remaining, 208.246094 MB of memory in use. ENERGY: 3837000 785.3017 2075.1873 1919.7599 117.4887 -206042.9816 17702.9718 0.0000 0.0000 34226.8994 -149215.3727 298.9120 -183442.2721 -149118.0726 299.5921 -198.7588 -165.0387 557467.9070 -3.5770 -3.7013 PRESSURE: 3837200 -260.084 -34.7466 80.9909 -34.7464 65.1006 -84.9808 80.99 -84.9819 -76.2434 GPRESSURE: 3837200 -241.626 -25.5412 51.6383 -48.0806 87.469 -174.93 111.666 -60.6802 -14.0603 PRESSAVG: 3837200 -4.04802 11.3352 -43.6843 11.3352 -19.8375 -29.376 -43.6842 -29.3761 15.2771 GPRESSAVG: 3837200 -3.5385 9.84168 -43.1132 11.9174 -19.8133 -28.5048 -45.0271 -30.8186 14.1859 TIMING: 3837200 CPU: 11500.2, 0.00302581/step Wall: 11500.2, 0.00302581/step, 0.977336 hours remaining, 208.246094 MB of memory in use. ENERGY: 3837200 733.9417 2134.8025 1921.4022 122.1636 -206223.6015 17629.1336 0.0000 0.0000 34285.6941 -149396.4638 299.4255 -183682.1579 -149298.3308 299.4403 -90.4088 -56.0724 556564.3083 -2.8695 -3.0553 PRESSURE: 3837400 -92.3535 -54.8243 160.268 -54.8244 81.9265 -129.963 160.268 -129.965 239.438 GPRESSURE: 3837400 -61.0019 -39.8169 103.152 -78.0864 79.6692 -79.9063 242.909 -125.489 308.73 PRESSAVG: 3837400 -42.0112 -34.9297 -38.3482 -34.9297 25.1941 -15.7315 -38.3481 -15.7314 -15.4059 GPRESSAVG: 3837400 -43.6959 -35.7806 -40.1614 -33.5434 25.7997 -13.9359 -38.4144 -13.7059 -13.7221 TIMING: 3837400 CPU: 11500.8, 0.0030534/step Wall: 11500.8, 0.0030534/step, 0.986079 hours remaining, 208.246094 MB of memory in use. ENERGY: 3837400 732.3019 2101.3491 1946.2173 113.6369 -206526.7743 17917.9397 0.0000 0.0000 34354.6973 -149360.6321 300.0281 -183715.3294 -149264.5638 299.2680 76.3369 109.1324 556894.1761 -10.7410 -10.5395 PRESSURE: 3837600 -62.5949 -274.547 46.3402 -274.546 47.0167 -80.2694 46.3407 -80.2688 -247.513 GPRESSURE: 3837600 -12.8794 -238.228 24.5586 -246.263 62.0626 -62.1013 44.1614 -100.388 -206.477 PRESSAVG: 3837600 -45.7608 -15.2876 -1.87176 -15.2876 85.1476 -51.4582 -1.87186 -51.4582 -21.9811 GPRESSAVG: 3837600 -45.1011 -12.9626 -2.09463 -15.6254 85.0098 -51.4975 -1.41737 -52.3758 -22.424 TIMING: 3837600 CPU: 11501.4, 0.00306771/step Wall: 11501.4, 0.00306771/step, 0.99053 hours remaining, 208.246094 MB of memory in use. ENERGY: 3837600 738.4331 2060.5482 1948.8445 119.6319 -206351.6902 17820.8499 0.0000 0.0000 34333.9073 -149329.4752 299.8466 -183663.3825 -149230.6611 298.9416 -87.6969 -52.4311 556101.2895 5.8019 5.8282 PRESSURE: 3837800 52.6608 -39.2951 -46.9587 -39.2948 -240.436 27.9465 -46.9578 27.9463 -161.189 GPRESSURE: 3837800 93.6177 -77.017 -44.0807 31.6307 -206.278 18.1358 45.5898 61.364 -145 PRESSAVG: 3837800 89.5101 -48.8355 -34.0306 -48.8355 -29.8723 -3.18912 -34.0305 -3.18913 -18.498 GPRESSAVG: 3837800 89.8874 -50.5636 -31.6843 -49.0259 -30.2741 -4.29817 -33.4873 -4.71106 -18.2623 TIMING: 3837800 CPU: 11502, 0.00307023/step Wall: 11502, 0.00307023/step, 0.991172 hours remaining, 208.246094 MB of memory in use. ENERGY: 3837800 727.0374 2122.0140 1937.8470 114.3011 -206452.2550 17728.2866 0.0000 0.0000 34384.5370 -149438.2319 300.2887 -183822.7690 -149338.9429 299.4100 -116.3212 -85.8867 557042.4518 13.7133 13.7837 PRESSURE: 3838000 -111.418 31.7405 -93.4333 31.7397 161.767 31.8384 -93.4349 31.8383 181.006 GPRESSURE: 3838000 -22.3008 139.538 -101.392 37.5223 187.202 26.604 -31.6829 30.6495 159.766 PRESSAVG: 3838000 40.2675 -41.7531 8.11175 -41.7531 -37.4096 1.56357 8.1118 1.56356 -0.460233 GPRESSAVG: 3838000 41.0257 -43.1749 7.04789 -40.7522 -39.0518 1.57745 7.73347 3.44965 0.509307 TIMING: 3838000 CPU: 11502.6, 0.00306444/step Wall: 11502.6, 0.00306444/step, 0.989132 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: 3838000 737.0999 2136.8526 1931.5749 119.3927 -206501.6100 17815.9892 0.0000 0.0000 34320.9000 -149439.8006 299.7330 -183760.7006 -149345.4455 299.5257 77.1184 108.2225 556586.5003 0.7992 0.8277 PRESSURE: 3838200 -101.926 -79.3189 -80.3606 -79.3195 -409.934 -64.3219 -80.3603 -64.32 -279.315 GPRESSURE: 3838200 -3.56324 -83.7073 -163.864 -69.046 -425.261 -9.63854 -91.3294 -111.78 -253.388 PRESSAVG: 3838200 8.12579 -15.7652 21.4771 -15.7651 -3.13733 -29.7787 21.4771 -29.7788 -34.017 GPRESSAVG: 3838200 7.34919 -14.3924 20.3757 -15.7235 -2.14896 -29.6009 24.0789 -32.9504 -34.1774 TIMING: 3838200 CPU: 11503.3, 0.00304918/step Wall: 11503.3, 0.00304918/step, 0.984039 hours remaining, 208.246094 MB of memory in use. ENERGY: 3838200 764.1981 2130.4558 1935.9650 111.9946 -206081.6340 17510.6979 0.0000 0.0000 34303.7728 -149324.5497 299.5834 -183628.3225 -149228.1511 299.1644 -263.7251 -227.4041 557161.7870 -9.6762 -9.6591 PRESSURE: 3838400 -23.4505 95.9965 -17.6566 95.9982 -135.399 45.2151 -17.6566 45.2166 18.9172 GPRESSURE: 3838400 15.6026 25.1051 -54.575 104.294 -91.4623 125.732 38.9523 -42.8688 30.7026 PRESSAVG: 3838400 31.0398 -44.2044 18.7216 -44.2043 21.7545 -20.3097 18.7215 -20.3097 8.32578 GPRESSAVG: 3838400 30.2778 -42.5377 19.1286 -44.1284 21.7965 -21.6248 16.0462 -18.3043 9.54461 TIMING: 3838400 CPU: 11503.9, 0.00304504/step Wall: 11503.9, 0.00304504/step, 0.982533 hours remaining, 208.246094 MB of memory in use. ENERGY: 3838400 755.5396 2140.5045 1957.7190 114.7845 -206350.9927 17907.3985 0.0000 0.0000 34205.1260 -149269.9207 298.7219 -183475.0466 -149175.5113 299.3546 -46.6440 -15.0523 557187.0402 20.3734 20.5396 PRESSURE: 3838600 -159.825 -21.9144 93.1655 -21.9138 -62.3747 -27.4517 93.1644 -27.4503 -161.082 GPRESSURE: 3838600 -116.602 22.4427 119.565 -51.6355 -50.8741 36.5452 123.402 -100.065 -115.443 PRESSAVG: 3838600 11.9718 -67.1446 9.00538 -67.1446 41.1639 33.3049 9.00538 33.3048 -46.3469 GPRESSAVG: 3838600 12.1702 -66.797 9.85719 -69.2676 42.0318 36.06 9.35044 32.286 -47.5542 TIMING: 3838600 CPU: 11504.5, 0.00305364/step Wall: 11504.5, 0.00305364/step, 0.985139 hours remaining, 208.246094 MB of memory in use. ENERGY: 3838600 756.1949 2131.0032 1923.9912 112.2644 -205997.9724 17488.3446 0.0000 0.0000 34496.7245 -149089.4495 301.2685 -183586.1740 -148996.2296 300.0085 -127.7603 -94.3061 556435.2135 2.2629 2.2159 PRESSURE: 3838800 -56.305 -64.6932 -219.93 -64.6946 -226.11 -3.58812 -219.93 -3.58849 -51.0376 GPRESSURE: 3838800 7.33464 11.9724 -228.162 -138.187 -259.261 36.1938 -275.639 32.1858 7.28399 PRESSAVG: 3838800 -17.0208 -5.47839 12.7986 -5.47837 78.2864 6.02801 12.7987 6.02788 -36.2081 GPRESSAVG: 3838800 -16.49 -5.99725 13.1005 -4.54274 77.1519 4.54335 13.2986 5.66547 -35.1402 TIMING: 3838800 CPU: 11505.1, 0.00304698/step Wall: 11505.1, 0.00304698/step, 0.982821 hours remaining, 208.246094 MB of memory in use. ENERGY: 3838800 777.3479 2165.9017 1929.8778 121.1000 -205860.7415 17508.2155 0.0000 0.0000 34257.8102 -149100.4883 299.1820 -183358.2986 -149005.4967 299.6405 -111.1510 -81.5473 557171.4600 8.3525 8.5072 PRESSURE: 3839000 -67.1984 -5.02521 -163.32 -5.02457 130.942 5.04836 -163.32 5.04758 132.572 GPRESSURE: 3839000 -21.9139 16.9434 -52.8787 -68.5553 151.974 -32.9696 -196.46 43.2832 161.729 PRESSAVG: 3839000 -19.6005 -25.5879 -40.7811 -25.588 31.13 29.1263 -40.7811 29.1264 -10.8709 GPRESSAVG: 3839000 -20.3525 -25.58 -42.3111 -26.0243 32.0125 28.3502 -39.4333 30.9416 -11.8532 TIMING: 3839000 CPU: 11505.7, 0.00305996/step Wall: 11505.7, 0.00305996/step, 0.986837 hours remaining, 208.246094 MB of memory in use. ENERGY: 3839000 752.9054 2127.7871 1942.0914 121.7299 -206187.8688 17688.7235 0.0000 0.0000 34353.7325 -149200.8989 300.0197 -183554.6314 -149105.7163 299.2042 65.4385 97.2630 556694.9531 0.2195 -0.0644 PRESSURE: 3839200 61.9879 -71.767 -68.4985 -71.7663 -98.5506 -2.98086 -68.4993 -2.98111 -80.7145 GPRESSURE: 3839200 27.082 -93.9914 -147.435 -30.9934 -11.5741 31.1472 -20.1863 35.1354 -32.0308 PRESSAVG: 3839200 -19.3291 0.88609 -24.6988 0.886134 24.8031 -21.2248 -24.6988 -21.2247 -17.7761 GPRESSAVG: 3839200 -19.4152 0.633836 -24.3356 1.58249 24.9596 -20.7627 -26.5059 -21.4642 -18.159 TIMING: 3839200 CPU: 11506.3, 0.00305097/step Wall: 11506.3, 0.00305097/step, 0.983769 hours remaining, 208.246094 MB of memory in use. ENERGY: 3839200 691.3467 2104.3347 1949.3343 113.5291 -206149.3332 17731.3298 0.0000 0.0000 34383.1752 -149176.2835 300.2768 -183559.4587 -149078.5055 299.7175 -39.0924 -5.5076 556567.5089 -4.1007 -4.2049 PRESSURE: 3839400 -50.7672 48.7258 93.7684 48.7238 -123.436 72.2321 93.7687 72.231 -241.404 GPRESSURE: 3839400 -4.09859 49.6662 108.164 48.2538 -83.6888 45.8305 58.2622 24.5095 -236.345 PRESSAVG: 3839400 -46.2719 35.2729 21.3833 35.2727 6.31421 -7.50565 21.3832 -7.5056 38.9911 GPRESSAVG: 3839400 -45.9282 36.0461 22.7829 35.3913 6.2251 -7.62151 20.6836 -6.97502 38.749 TIMING: 3839400 CPU: 11506.9, 0.00307397/step Wall: 11506.9, 0.00307397/step, 0.991015 hours remaining, 208.246094 MB of memory in use. ENERGY: 3839400 769.8677 2129.7283 1948.0254 127.2609 -205936.5844 17548.5257 0.0000 0.0000 34260.2852 -149152.8911 299.2036 -183413.1763 -149049.6186 299.9681 -138.5356 -108.0441 557629.2868 -0.3222 -0.3180 PRESSURE: 3839600 37.5262 57.0134 65.4577 57.0128 -176.027 15.8208 65.458 15.8212 -206.256 GPRESSURE: 3839600 61.3345 117.13 80.9028 -38.0748 -102.619 -31.9637 46.3203 -17.459 -204.109 PRESSAVG: 3839600 -3.39824 -22.3026 57.0309 -22.3025 30.1343 -46.146 57.0309 -46.1461 -15.3268 GPRESSAVG: 3839600 -2.5284 -24.5281 53.6139 -22.4857 29.3289 -46.9669 59.0172 -47.8902 -15.1596 TIMING: 3839600 CPU: 11507.5, 0.003059/step Wall: 11507.5, 0.003059/step, 0.986017 hours remaining, 208.246094 MB of memory in use. ENERGY: 3839600 761.0309 2114.0841 1926.3403 120.0925 -205958.6620 17513.5012 0.0000 0.0000 34495.5142 -149028.0988 301.2579 -183523.6130 -148937.3857 300.0341 -114.9188 -81.7978 558485.7405 3.8031 3.8803 PRESSURE: 3839800 161.907 105.897 -32.4467 105.897 31.6401 9.8146 -32.4471 9.8141 -19.2491 GPRESSURE: 3839800 159.892 9.58849 -74.192 191.259 81.8534 25.9779 -71.2211 -52.3902 32.8901 PRESSAVG: 3839800 94.2659 31.2841 -4.02944 31.284 -63.9875 -25.5594 -4.02947 -25.5595 -30.3302 GPRESSAVG: 3839800 94.3974 30.9544 -1.27249 31.8248 -63.4692 -26.0788 -5.1613 -22.706 -30.9076 TIMING: 3839800 CPU: 11508.1, 0.0030571/step Wall: 11508.1, 0.0030571/step, 0.985234 hours remaining, 208.246094 MB of memory in use. ENERGY: 3839800 764.4288 2064.6762 1950.5017 113.7274 -206617.6864 18001.4195 0.0000 0.0000 34427.8529 -149295.0799 300.6670 -183722.9328 -149196.2932 299.6056 58.0994 91.5452 558168.8080 -0.0173 0.0069 PRESSURE: 3840000 -44.3123 154.439 -35.9423 154.439 -96.6592 65.0545 -35.9433 65.0525 -130.638 GPRESSURE: 3840000 -40.552 183.846 26.4825 122.152 -50.0961 49.1632 -11.7657 35.6149 -71.0937 PRESSAVG: 3840000 16.6243 36.6035 29.2529 36.6035 -3.0392 -16.0904 29.2529 -16.0905 -15.727 GPRESSAVG: 3840000 16.4343 35.5195 29.0448 38.1668 -3.41003 -15.3181 29.866 -18.9776 -15.0072 TIMING: 3840000 CPU: 11508.8, 0.00303741/step Wall: 11508.8, 0.00303741/step, 0.978721 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: 3840000 759.3627 2155.2423 1925.6542 101.2431 -206310.8758 17992.6419 0.0000 0.0000 34115.2713 -149261.4604 297.9371 -183376.7318 -149165.8322 299.2667 -90.5366 -53.9139 559024.1905 -0.7140 -0.6609 PRESSURE: 3840200 -215.199 -126.245 15.1686 -126.246 -37.9667 23.1894 15.1688 23.187 -115.31 GPRESSURE: 3840200 -188.073 -94.2523 37.7676 -140.664 18.823 83.8788 82.5593 74.4482 -105.939 PRESSAVG: 3840200 11.1072 -9.14014 58.9002 -9.1402 -9.80841 18.7613 58.9002 18.7614 34.097 GPRESSAVG: 3840200 11.3465 -7.26828 60.1089 -10.3768 -9.72388 20.6791 59.1691 18.4167 33.4782 TIMING: 3840200 CPU: 11509.4, 0.0030041/step Wall: 11509.4, 0.0030041/step, 0.967821 hours remaining, 208.246094 MB of memory in use. ENERGY: 3840200 706.4643 2117.5447 1925.3874 110.4379 -206101.7160 17611.4397 0.0000 0.0000 34301.0204 -149329.4216 299.5593 -183630.4420 -149234.6835 298.8266 -122.8252 -91.7294 558138.7329 11.7986 11.7003 LDB: ============= START OF LOAD BALANCING ============== 11512.8 LDB: ============== END OF LOAD BALANCING =============== 11512.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11512.8 LDB: ============= START OF LOAD BALANCING ============== 11513.1 LDB: Largest compute 4820 load 0.020770 is 17.6% of average load 0.118187 LDB: Average compute 0.001714 is 1.4% of average load 0.118187 LDB: TIME 11513.1 LOAD: AVG 0.118187 MAX 0.215318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.934 MB LDB: TIME 11513.1 LOAD: AVG 0.118187 MAX 0.215318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: TIME 11513.1 LOAD: AVG 0.118187 MAX 0.215318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.934 MB LDB: ============== END OF LOAD BALANCING =============== 11513.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11513.1 PRESSURE: 3840400 61.6197 -110.02 -44.2711 -110.02 154.547 69.219 -44.2714 69.2192 -89.5896 GPRESSURE: 3840400 44.7457 -42.6599 -71.3724 -124.018 258.824 18.6436 -16.6351 14.2569 -81.7279 PRESSAVG: 3840400 1.61088 -9.52596 -21.3617 -9.52592 -74.6123 30.4074 -21.3617 30.4074 33.0994 GPRESSAVG: 3840400 0.0759112 -9.53404 -22.7865 -7.54606 -73.4141 30.7668 -20.1355 30.3054 33.1723 TIMING: 3840400 CPU: 11510, 0.00309358/step Wall: 11510, 0.00309358/step, 0.996476 hours remaining, 207.476562 MB of memory in use. ENERGY: 3840400 712.2391 2173.4399 1939.4727 120.2179 -206095.0352 17863.7124 0.0000 0.0000 34085.6468 -149200.3063 297.6784 -183285.9532 -149106.7506 298.6009 42.1922 73.9473 558586.8043 -13.3007 -13.3886 PRESSURE: 3840600 101.544 -18.5324 143.953 -18.5312 208.449 -61.3678 143.954 -61.3686 -53.3457 GPRESSURE: 3840600 132.109 -6.97269 201.904 29.9646 258.655 84.8006 126.488 -127.022 -40.7731 PRESSAVG: 3840600 -5.08674 18.2654 25.016 18.2655 38.8167 20.4034 25.016 20.4033 15.5763 GPRESSAVG: 3840600 -5.21492 18.864 25.1257 16.618 39.1448 21.5541 24.3619 20.3369 15.2074 TIMING: 3840600 CPU: 11510.6, 0.00302894/step Wall: 11510.6, 0.00302894/step, 0.975487 hours remaining, 207.476562 MB of memory in use. ENERGY: 3840600 765.2511 2125.4444 1939.7058 119.9336 -206595.0261 18174.3749 0.0000 0.0000 34281.2186 -149189.0977 299.3864 -183470.3163 -149099.4769 299.3855 85.5492 116.6638 558281.1608 16.4354 16.3791 PRESSURE: 3840800 118.042 26.1176 79.5774 26.1178 -35.5949 32.9289 79.5784 32.9299 -12.0354 GPRESSURE: 3840800 119.219 79.4312 100.761 -1.89185 0.311698 10.401 31.8326 61.6802 36.3935 PRESSAVG: 3840800 41.6058 33.7314 66.7397 33.7314 -14.8254 54.2144 66.7396 54.2145 -43.1253 GPRESSAVG: 3840800 42.2545 32.9401 65.9671 34.0499 -15.0644 54.1435 67.9567 54.7989 -43.0963 TIMING: 3840800 CPU: 11511.2, 0.00302487/step Wall: 11511.2, 0.00302487/step, 0.974007 hours remaining, 207.476562 MB of memory in use. ENERGY: 3840800 741.9833 2097.2860 1927.7234 108.6088 -206283.5329 17892.5220 0.0000 0.0000 34299.4186 -149215.9908 299.5454 -183515.4095 -149118.9668 299.1057 23.4707 51.9749 559299.4751 -5.4483 -5.3021 PRESSURE: 3841000 -64.3872 34.7825 28.204 34.7835 -132.312 -200.791 28.205 -200.791 -177.021 GPRESSURE: 3841000 -57.0029 69.1311 33.028 -17.0266 -50.9027 -155.274 47.7101 -97.5611 -163.577 PRESSAVG: 3841000 38.8203 -28.0487 27.5045 -28.0488 69.033 6.00447 27.5045 6.00434 -77.3233 GPRESSAVG: 3841000 38.5468 -29.327 28.5267 -26.8837 68.6314 4.46347 26.1491 4.7951 -76.6181 TIMING: 3841000 CPU: 11511.8, 0.00301719/step Wall: 11511.8, 0.00301719/step, 0.971369 hours remaining, 207.476562 MB of memory in use. ENERGY: 3841000 725.5177 2080.6856 1924.0402 114.3599 -205994.6011 17585.2860 0.0000 0.0000 34404.2629 -149160.4488 300.4610 -183564.7117 -149067.6939 299.2067 -124.5736 -90.4942 559242.8934 10.1767 10.1867 PRESSURE: 3841200 -274.227 -82.5098 -132.044 -82.5103 -283.303 14.9139 -132.045 14.9171 -229.774 GPRESSURE: 3841200 -258.459 -102.915 -115.735 -71.2899 -236.17 59.2829 -104.366 -72.3532 -198.044 PRESSAVG: 3841200 -30.3036 -48.206 -42.161 -48.2061 40.2882 6.18332 -42.1609 6.18329 -13.3556 GPRESSAVG: 3841200 -29.4422 -48.4227 -42.8347 -48.1218 39.8905 4.3946 -43.3792 8.79349 -13.6839 TIMING: 3841200 CPU: 11512.4, 0.003027/step Wall: 11512.4, 0.003027/step, 0.974359 hours remaining, 207.476562 MB of memory in use. ENERGY: 3841200 782.8023 2145.8627 1925.1533 114.5359 -205819.3061 17469.2643 0.0000 0.0000 34126.3583 -149255.3293 298.0340 -183381.6877 -149159.1353 299.1877 -262.4345 -230.8910 558229.5962 -1.1237 -1.0785 PRESSURE: 3841400 -100.465 -44.573 22.5863 -44.5721 -47.546 20.2831 22.586 20.2842 37.9011 GPRESSURE: 3841400 -57.5392 -38.9166 3.1965 2.65725 -47.688 -92.183 -22.3143 91.589 91.015 PRESSAVG: 3841400 -81.549 14.224 0.0971623 14.224 44.1902 -53.3201 0.0971792 -53.3201 22.1447 GPRESSAVG: 3841400 -81.2677 16.6559 0.726972 13.1255 43.874 -54.7784 1.5714 -51.4319 22.522 TIMING: 3841400 CPU: 11513, 0.00303657/step Wall: 11513, 0.00303657/step, 0.977268 hours remaining, 207.476562 MB of memory in use. ENERGY: 3841400 722.1849 2121.8474 1953.2540 97.5535 -206374.0723 17863.2876 0.0000 0.0000 34301.4775 -149314.4675 299.5633 -183615.9450 -149218.2461 298.4361 -36.7033 -4.7374 558597.2849 -5.0714 -4.9573 PRESSURE: 3841600 -158.049 -27.9829 102.491 -27.9836 -131.196 193.441 102.492 193.442 -377.116 GPRESSURE: 3841600 -138.412 -18.9092 116.088 5.1211 -113.386 180.486 -21.7463 138.861 -315.998 PRESSAVG: 3841600 5.12808 32.7633 33.6426 32.7634 -12.5852 -4.07076 33.6426 -4.0707 21.71 GPRESSAVG: 3841600 4.78377 31.4404 33.8132 33.9507 -12.2908 -1.05366 32.2803 -7.19803 22.5496 TIMING: 3841600 CPU: 11513.6, 0.00301098/step Wall: 11513.6, 0.00301098/step, 0.968867 hours remaining, 207.476562 MB of memory in use. ENERGY: 3841600 750.3291 2121.0353 1934.7617 107.9783 -205949.5345 17530.2098 0.0000 0.0000 34172.1190 -149333.1011 298.4336 -183505.2202 -149234.5205 298.6167 -222.1204 -189.2654 558130.1209 4.7510 5.0142 PRESSURE: 3841800 -248.643 -107.929 52.7489 -107.928 73.3093 111.356 52.7489 111.355 -277.114 GPRESSURE: 3841800 -244.777 -130.47 13.4942 -78.3202 82.6785 196.628 47.564 41.5747 -192.978 PRESSAVG: 3841800 -40.4893 -0.00224002 -16.0581 -0.00218934 27.0093 22.8917 -16.0582 22.8917 -45.24 GPRESSAVG: 3841800 -39.5107 0.12537 -16.5708 0.521473 26.7988 21.3611 -15.4779 22.8777 -46.254 TIMING: 3841800 CPU: 11514.2, 0.00300785/step Wall: 11514.2, 0.00300785/step, 0.967694 hours remaining, 207.476562 MB of memory in use. ENERGY: 3841800 782.8996 2073.5825 1952.4000 114.6025 -206048.1637 17567.3364 0.0000 0.0000 34276.8112 -149280.5316 299.3479 -183557.3427 -149184.5286 299.4246 -150.8159 -118.3591 557725.2113 -19.5733 -19.6553 PRESSURE: 3842000 167.163 -37.1808 52.1018 -37.181 -54.5072 134.038 52.1031 134.039 -19.481 GPRESSURE: 3842000 189.905 -38.3427 -7.73113 26.768 -66.2907 112.646 112.603 101.984 66.7583 PRESSAVG: 3842000 26.5314 -10.4057 -1.35719 -10.4057 11.8527 53.2081 -1.35709 53.2082 -10.2652 GPRESSAVG: 3842000 27.0515 -13.3012 -1.11539 -10.3634 11.3959 53.1517 0.402442 55.7591 -9.9729 TIMING: 3842000 CPU: 11514.8, 0.00300446/step Wall: 11514.8, 0.00300446/step, 0.966435 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: 3842000 746.3566 2130.6306 1951.2379 110.7404 -206745.1944 18038.9888 0.0000 0.0000 34486.6775 -149280.5625 301.1807 -183767.2400 -149184.5115 299.6759 31.0581 63.4575 557647.6450 9.3729 9.4915 PRESSURE: 3842200 -335.376 -121.434 -56.6715 -121.433 98.134 111.429 -56.6719 111.428 -121 GPRESSURE: 3842200 -265.504 -146.79 48.7293 -169.468 118.055 52.6902 -84.1345 171.986 -111.158 PRESSAVG: 3842200 -4.24453 0.8654 -5.01544 0.865403 37.9159 28.1004 -5.01545 28.1004 -43.6792 GPRESSAVG: 3842200 -3.72946 2.9508 -4.3343 0.0715552 38.104 27.902 -5.15649 28.9397 -44.9145 TIMING: 3842200 CPU: 11515.4, 0.0030126/step Wall: 11515.4, 0.0030126/step, 0.968884 hours remaining, 207.476562 MB of memory in use. ENERGY: 3842200 800.0041 2078.5936 1965.5334 115.1197 -206534.4292 17722.8560 0.0000 0.0000 34492.5564 -149359.7658 301.2321 -183852.3223 -149266.6990 299.4064 -119.4142 -86.2023 556184.7914 -3.3359 -3.5133 PRESSURE: 3842400 -188.001 91.2916 -51.5241 91.2911 -181.203 86.8136 -51.5241 86.8122 61.9577 GPRESSURE: 3842400 -176.29 129.478 51.4697 -34.4696 -161.169 70.504 -126.004 99.8299 135.259 PRESSAVG: 3842400 -9.16055 -34.1043 15.4944 -34.1043 -9.46649 39.3353 15.4944 39.3353 -56.9165 GPRESSAVG: 3842400 -10.1794 -34.5987 15.1272 -32.4695 -8.7083 40.7411 14.5657 38.1366 -56.4499 TIMING: 3842400 CPU: 11516, 0.00302699/step Wall: 11516, 0.00302699/step, 0.973344 hours remaining, 207.476562 MB of memory in use. ENERGY: 3842400 781.6459 2096.1961 1928.8856 122.5791 -205970.1195 17430.0090 0.0000 0.0000 34272.6060 -149338.1979 299.3112 -183610.8039 -149245.9812 298.9618 -102.4155 -67.3999 555549.8236 -25.1812 -25.1125 PRESSURE: 3842600 120.107 24.3518 94.7829 24.3518 -139.455 -79.1752 94.7837 -79.1786 97.6269 GPRESSURE: 3842600 130.87 -19.9957 77.7131 64.914 -87.0954 -111.794 105.322 -77.3385 151.545 PRESSAVG: 3842600 40.8708 11.5276 1.1207 11.5275 42.109 -27.087 1.12068 -27.0869 -23.2975 GPRESSAVG: 3842600 40.5131 13.6038 -1.65973 9.71088 41.1063 -26.842 3.78921 -26.7855 -21.9753 TIMING: 3842600 CPU: 11516.6, 0.00304793/step Wall: 11516.6, 0.00304793/step, 0.979911 hours remaining, 207.476562 MB of memory in use. ENERGY: 3842600 741.9176 2053.8868 1958.3851 112.7241 -206262.4032 17858.1198 0.0000 0.0000 34132.1605 -149405.2094 298.0846 -183537.3699 -149309.0025 299.2805 26.0930 65.1066 556852.6747 19.8941 19.8814 PRESSURE: 3842800 -79.421 34.9425 -109.718 34.9424 -183.152 -10.4742 -109.718 -10.4738 -28.4334 GPRESSURE: 3842800 -57.0894 41.0629 -73.2131 2.99183 -119.345 -91.5331 -96.5489 52.3449 -25.5172 PRESSAVG: 3842800 23.7205 17.5958 -42.009 17.5958 0.208486 -7.90973 -42.0089 -7.90974 -10.1949 GPRESSAVG: 3842800 25.4171 15.4692 -38.9421 19.0353 0.920014 -9.03836 -44.95 -8.89022 -12.4898 TIMING: 3842800 CPU: 11517.2, 0.00304495/step Wall: 11517.2, 0.00304495/step, 0.978782 hours remaining, 207.476562 MB of memory in use. ENERGY: 3842800 795.6286 2108.6248 1944.4370 132.6246 -206241.8184 17635.7008 0.0000 0.0000 34277.3537 -149347.4490 299.3527 -183624.8027 -149253.8395 298.7978 -97.0020 -67.3173 556442.5858 4.5780 4.6158 PRESSURE: 3843000 -243.129 -139.034 101.041 -139.033 -324.36 97.4924 101.042 97.4929 -20.3677 GPRESSURE: 3843000 -190.144 -80.3585 62.7692 -184.623 -284.731 120.288 80.5687 73.3917 -19.179 PRESSAVG: 3843000 11.9775 -15.1188 -27.4656 -15.1188 3.46902 -12.4415 -27.4657 -12.4415 -71.9937 GPRESSAVG: 3843000 10.5644 -16.1924 -28.9959 -14.3623 3.19592 -10.7812 -26.4736 -11.976 -70.6925 TIMING: 3843000 CPU: 11517.8, 0.00303004/step Wall: 11517.8, 0.00303004/step, 0.97382 hours remaining, 207.476562 MB of memory in use. ENERGY: 3843000 759.0636 2119.4432 1937.4225 115.2772 -206542.4621 17741.0458 0.0000 0.0000 34456.4963 -149413.7136 300.9172 -183870.2099 -149316.3750 298.9375 -195.9522 -164.6847 557231.7499 -18.8491 -18.9774 PRESSURE: 3843200 43.0496 -33.5799 8.64026 -33.5805 57.8675 -7.71815 8.64058 -7.71807 -18.2111 GPRESSURE: 3843200 128.799 -82.6552 -103.959 -26.7758 35.7567 -5.62226 92.9032 -25.3762 15.6008 PRESSAVG: 3843200 37.6073 -36.755 -4.1402 -36.755 31.3989 -26.7123 -4.14018 -26.7123 -44.843 GPRESSAVG: 3843200 37.9937 -35.334 -0.963469 -39.617 31.0281 -27.0997 -6.4283 -26.4511 -44.8318 TIMING: 3843200 CPU: 11518.4, 0.00303441/step Wall: 11518.4, 0.00303441/step, 0.975056 hours remaining, 207.476562 MB of memory in use. ENERGY: 3843200 745.0343 2110.6764 1926.7761 102.6093 -206377.0535 17911.8003 0.0000 0.0000 34223.3038 -149356.8532 298.8806 -183580.1570 -149259.3619 298.8926 27.5687 60.0520 558213.3274 8.0544 8.0633 PRESSURE: 3843400 102.663 -57.6394 -55.0057 -57.6403 230.608 -54.8089 -55.0055 -54.8106 -98.6331 GPRESSURE: 3843400 114.231 -71.6628 56.8153 -11.7148 183.89 -161.671 -114.048 -58.7351 25.824 PRESSAVG: 3843400 3.71981 3.41501 23.9564 3.41489 0.627044 -43.4288 23.9563 -43.4289 -62.4339 GPRESSAVG: 3843400 2.99347 2.97025 19.6839 5.01072 -0.239411 -45.1818 28.0323 -44.3786 -61.1238 TIMING: 3843400 CPU: 11519.1, 0.00304996/step Wall: 11519.1, 0.00304996/step, 0.979883 hours remaining, 207.476562 MB of memory in use. ENERGY: 3843400 770.1435 2062.7411 1930.7999 108.0266 -206261.0939 17817.9276 0.0000 0.0000 34277.9793 -149293.4760 299.3581 -183571.4552 -149197.8702 299.0264 78.2124 107.9815 556528.1189 -19.3623 -19.4566 PRESSURE: 3843600 -207.495 104.935 39.2495 104.936 -277.366 -28.9448 39.2484 -28.9444 -111.308 GPRESSURE: 3843600 -120.476 162.08 -63.7372 84.873 -252.55 16.7053 113.765 10.8933 -132.476 PRESSAVG: 3843600 -13.6241 -7.68232 -4.55853 -7.68228 -4.58942 -5.59664 -4.55855 -5.59669 12.8298 GPRESSAVG: 3843600 -12.9184 -8.07063 -4.3185 -9.22006 -4.81459 -5.02921 -6.38233 -4.49327 12.3453 TIMING: 3843600 CPU: 11519.7, 0.00304741/step Wall: 11519.7, 0.00304741/step, 0.978896 hours remaining, 207.476562 MB of memory in use. ENERGY: 3843600 750.9639 2137.6031 1920.8330 110.3371 -205885.0610 17506.6547 0.0000 0.0000 34169.1484 -149289.5208 298.4077 -183458.6692 -149196.9041 299.8508 -198.7228 -168.5008 557396.8469 -1.7946 -1.7959 PRESSURE: 3843800 -73.5774 145.076 80.0206 145.076 -13.6611 90.7021 80.0196 90.7048 65.2034 GPRESSURE: 3843800 -72.4425 116.572 28.9049 162.094 60.2554 65.2163 88.1337 -27.7257 88.0253 PRESSAVG: 3843800 8.6132 -5.69102 49.0552 -5.69095 -61.5699 39.8601 49.0552 39.8602 -3.81434 GPRESSAVG: 3843800 9.74447 -4.91439 50.0982 -5.12265 -60.6184 40.4242 48.356 38.0224 -5.11626 TIMING: 3843800 CPU: 11520.3, 0.00305709/step Wall: 11520.3, 0.00305709/step, 0.981835 hours remaining, 207.476562 MB of memory in use. ENERGY: 3843800 762.2984 2106.3184 1925.7496 106.0563 -206418.2146 17936.4561 0.0000 0.0000 34264.7970 -149316.5387 299.2430 -183581.3357 -149224.0377 298.8181 -7.3450 25.2794 557610.6164 -18.9237 -18.6634 PRESSURE: 3844000 49.5663 -13.3743 6.77949 -13.3738 -296.847 -51.5932 6.77863 -51.5934 -241.994 GPRESSURE: 3844000 74.5982 25.583 -79.8247 -2.26629 -313.105 -116.473 55.5415 -100.981 -161.986 PRESSAVG: 3844000 63.4728 22.0514 -42.3669 22.0515 -8.14989 8.13579 -42.3669 8.13585 -44.5124 GPRESSAVG: 3844000 63.2411 20.3906 -41.9912 22.4952 -9.05747 7.85374 -42.8783 8.68861 -43.0548 TIMING: 3844000 CPU: 11520.9, 0.00303625/step Wall: 11520.9, 0.00303625/step, 0.974975 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: 3844000 744.5621 2107.9182 1933.9093 125.8471 -206196.8597 17786.5196 0.0000 0.0000 34095.5325 -149402.5709 297.7648 -183498.1034 -149303.3573 299.2129 -163.0918 -133.4977 559047.6561 3.6035 3.7096 PRESSURE: 3844200 243.022 -48.6088 -152.506 -48.6098 216.573 25.5911 -152.507 25.5905 129.09 GPRESSURE: 3844200 221.889 -13.5653 -85.6209 -56.7626 319.947 109.312 -183.384 -6.55124 151.214 PRESSAVG: 3844200 65.0704 -13.4427 -23.1089 -13.4427 -58.636 24.9657 -23.1089 24.9657 4.91504 GPRESSAVG: 3844200 63.8049 -13.2387 -23.9119 -13.7099 -57.3828 26.8472 -22.5017 25.1778 5.79145 TIMING: 3844200 CPU: 11521.5, 0.00301674/step Wall: 11521.5, 0.00301674/step, 0.96854 hours remaining, 207.476562 MB of memory in use. ENERGY: 3844200 706.1650 2142.4521 1916.1044 103.6234 -206655.1857 18026.1236 0.0000 0.0000 34292.4366 -149468.2807 299.4844 -183760.7173 -149369.9931 298.5819 196.2284 231.0167 556000.7188 3.7832 4.0712 LDB: ============= START OF LOAD BALANCING ============== 11524.9 LDB: ============== END OF LOAD BALANCING =============== 11524.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11524.9 LDB: ============= START OF LOAD BALANCING ============== 11525.2 LDB: Largest compute 4820 load 0.020118 is 17.0% of average load 0.118219 LDB: Average compute 0.001721 is 1.5% of average load 0.118219 LDB: TIME 11525.2 LOAD: AVG 0.118219 MAX 0.215366 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.066 MB LDB: TIME 11525.2 LOAD: AVG 0.118219 MAX 0.215366 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: TIME 11525.2 LOAD: AVG 0.118219 MAX 0.215366 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.066 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11525.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11525.2 PRESSURE: 3844400 118.366 -59.2046 182.709 -59.2037 -182.445 70.8105 182.709 70.8108 7.12036 GPRESSURE: 3844400 71.3891 -11.1996 249.276 -65.6302 -64.8365 55.3379 187.524 126.577 20.1929 PRESSAVG: 3844400 52.1128 -47.5933 -5.26147 -47.5932 -45.8148 -24.4462 -5.26139 -24.4462 4.16974 GPRESSAVG: 3844400 52.2492 -44.9353 -3.88508 -48.5303 -45.4594 -26.0698 -5.62709 -24.0448 3.15567 TIMING: 3844400 CPU: 11522.1, 0.00305739/step Wall: 11522.1, 0.00305739/step, 0.981423 hours remaining, 208.058594 MB of memory in use. ENERGY: 3844400 731.5169 2102.3560 1916.0342 111.1004 -206326.7173 17912.8934 0.0000 0.0000 34102.2581 -149450.5583 297.8235 -183552.8164 -149357.3441 298.4278 -18.9863 8.9152 557311.3981 3.4892 3.3151 PRESSURE: 3844600 -152.681 12.5511 -152.591 12.5533 -203.15 -15.2301 -152.591 -15.2302 -50.5941 GPRESSURE: 3844600 -101.245 33.229 -58.8816 -2.95523 -177.229 56.6795 -259.822 -7.10285 -20.1885 PRESSAVG: 3844600 31.0983 -6.06358 38.8065 -6.06349 -42.7157 10.5351 38.8065 10.5351 27.7082 GPRESSAVG: 3844600 31.5122 -9.17668 40.7475 -5.12342 -42.6211 11.7345 37.7437 11.1868 26.7374 TIMING: 3844600 CPU: 11522.7, 0.0030144/step Wall: 11522.7, 0.0030144/step, 0.967454 hours remaining, 208.128906 MB of memory in use. ENERGY: 3844600 747.8409 2136.1325 1951.8061 91.9652 -205848.5278 17597.1826 0.0000 0.0000 34208.5531 -149115.0474 298.7518 -183323.6005 -149021.0859 299.2360 -135.4750 -99.5543 557804.1744 5.3636 5.2095 PRESSURE: 3844800 -46.9029 48.9029 26.6238 48.9033 -112.798 -39.9276 26.6241 -39.9279 162.514 GPRESSURE: 3844800 1.4049 -1.93555 24.0842 87.1132 -25.9745 -20.1242 64.7826 -105.357 111.089 PRESSAVG: 3844800 26.0432 -14.9404 21.8495 -14.9403 37.4964 -8.52793 21.8494 -8.5279 -43.8812 GPRESSAVG: 3844800 24.7313 -12.6867 19.56 -14.5716 37.9615 -10.3911 21.625 -8.66355 -43.2566 TIMING: 3844800 CPU: 11523.3, 0.00300129/step Wall: 11523.3, 0.00300129/step, 0.963081 hours remaining, 208.128906 MB of memory in use. ENERGY: 3844800 754.4003 2075.1833 1929.7484 104.2858 -206047.2519 17691.7323 0.0000 0.0000 34483.8165 -149008.0853 301.1557 -183491.9018 -148907.7707 299.8153 0.9379 28.8398 556360.2045 6.5528 6.4787 PRESSURE: 3845000 -142.905 127.041 -20.9932 127.041 -168.449 -82.1034 -20.9936 -82.1061 -64.7905 GPRESSURE: 3845000 -165.233 110.052 -106.325 61.2727 -160.747 -77.7501 -19.5237 -110.297 57.7011 PRESSAVG: 3845000 31.0145 -22.0278 66.359 -22.0276 -9.63449 16.1455 66.359 16.1453 -38.5723 GPRESSAVG: 3845000 30.2454 -22.9597 65.2568 -21.3502 -9.02043 17.8981 68.1613 14.9602 -38.22 TIMING: 3845000 CPU: 11523.9, 0.00298746/step Wall: 11523.9, 0.00298746/step, 0.958477 hours remaining, 208.128906 MB of memory in use. ENERGY: 3845000 731.7807 2081.2651 1925.3226 120.8743 -205943.9469 17760.5447 0.0000 0.0000 34244.3253 -149079.8342 299.0642 -183324.1595 -148980.2317 299.6599 -125.3817 -89.4265 557669.0607 -5.7308 -5.6650 PRESSURE: 3845200 -10.6266 8.53289 -55.3229 8.53307 -298.139 71.7883 -55.3232 71.7875 -252.63 GPRESSURE: 3845200 31.5795 -48.6249 -5.8429 -46.5695 -362.947 57.5818 -83.708 73.0861 -129.742 PRESSAVG: 3845200 -25.5279 8.96797 -9.44275 8.96795 -1.26902 -0.868735 -9.4427 -0.868655 7.11049 GPRESSAVG: 3845200 -23.4778 8.01068 -8.17671 9.96413 -3.098 -2.2943 -9.18798 0.662719 6.04345 TIMING: 3845200 CPU: 11524.5, 0.00302532/step Wall: 11524.5, 0.00302532/step, 0.970457 hours remaining, 208.128906 MB of memory in use. ENERGY: 3845200 743.5150 2110.7419 1938.1201 133.0677 -205715.4080 17406.5683 0.0000 0.0000 34232.7313 -149150.6638 298.9630 -183383.3950 -149049.6894 299.9620 -187.1321 -153.7030 557477.4711 -6.5621 -6.8441 PRESSURE: 3845400 -95.459 99.7847 -62.0967 99.7846 13.0902 -89.883 -62.0978 -89.8826 -14.6829 GPRESSURE: 3845400 -105.976 163.041 -133.764 -15.9839 34.4877 -99.0726 61.5197 -106.141 66.1302 PRESSAVG: 3845400 26.764 -38.6866 -1.49931 -38.6867 4.75251 -7.76409 -1.49933 -7.76403 34.4216 GPRESSAVG: 3845400 26.0594 -36.6308 -1.81563 -41.7031 4.65092 -7.36243 -3.65097 -8.4426 35.1463 TIMING: 3845400 CPU: 11525.1, 0.003031/step Wall: 11525.1, 0.003031/step, 0.972108 hours remaining, 208.128906 MB of memory in use. ENERGY: 3845400 760.4619 2117.6144 1948.2405 120.2495 -205989.8774 17588.7962 0.0000 0.0000 34222.4852 -149232.0296 298.8735 -183454.5149 -149134.4812 299.2745 -32.3505 -1.7860 555799.6738 21.9794 21.9522 PRESSURE: 3845600 -302.699 -24.2858 -219.218 -24.2861 -47.9439 -131.217 -219.218 -131.216 -430.087 GPRESSURE: 3845600 -323.645 -79.938 -204.335 39.2391 26.4605 -103.406 -199.04 -209.057 -383.235 PRESSAVG: 3845600 -42.7259 -55.2188 -18.9394 -55.2188 -6.17499 -40.795 -18.9394 -40.795 22.495 GPRESSAVG: 3845600 -41.6222 -58.6109 -17.6351 -52.4468 -5.74507 -38.9518 -18.9839 -42.5629 20.7562 TIMING: 3845600 CPU: 11525.7, 0.00304715/step Wall: 11525.7, 0.00304715/step, 0.977118 hours remaining, 208.128906 MB of memory in use. ENERGY: 3845600 734.1545 2105.3846 1920.7457 129.2890 -205754.8527 17328.1557 0.0000 0.0000 34215.6137 -149321.5095 298.8135 -183537.1232 -149214.2908 298.8997 -260.2434 -226.8064 557487.0953 -8.8020 -8.8704 PRESSURE: 3845800 51.3469 -74.5612 96.7485 -74.561 6.5473 23.0945 96.7499 23.095 -15.9224 GPRESSURE: 3845800 109.421 -53.5393 61.8 -165.445 -19.6858 54.3396 176.961 -29.2093 54.8709 PRESSAVG: 3845800 36.7194 -23.4637 3.77085 -23.4638 4.21156 -50.7599 3.77087 -50.7599 -11.3876 GPRESSAVG: 3845800 35.4608 -20.9876 2.02566 -23.4588 4.70721 -51.2875 3.54991 -49.9216 -10.417 TIMING: 3845800 CPU: 11526.3, 0.00305886/step Wall: 11526.3, 0.00305886/step, 0.980705 hours remaining, 208.128906 MB of memory in use. ENERGY: 3845800 775.0512 2172.5517 1912.5187 113.9204 -206419.9811 17878.7937 0.0000 0.0000 34271.9914 -149295.1540 299.3058 -183567.1454 -149204.1809 298.5603 13.9906 48.2020 556221.8858 9.8478 9.9170 PRESSURE: 3846000 -121.422 93.2593 -47.0585 93.2605 -327.243 -15.2247 -47.0595 -15.2253 -47.5124 GPRESSURE: 3846000 -148.013 14.5161 -71.8389 104.383 -267.348 4.98063 -58.7737 -95.1436 0.748907 PRESSAVG: 3846000 79.9611 -7.32985 11.13 -7.32978 -0.111345 22.7143 11.13 22.7142 -63.3493 GPRESSAVG: 3846000 78.9495 -6.41885 8.90367 -8.19311 0.631912 23.9038 13.1476 20.9152 -63.1193 TIMING: 3846000 CPU: 11526.9, 0.00307354/step Wall: 11526.9, 0.00307354/step, 0.985239 hours remaining, 208.128906 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: 3846000 783.3134 2084.4878 1938.1335 116.3678 -206064.6922 17665.7338 0.0000 0.0000 34169.8594 -149306.7966 298.4139 -183476.6560 -149207.0643 298.9002 -165.3924 -138.2039 557215.5074 5.5002 5.4874 PRESSURE: 3846200 110.902 8.81704 75.5597 8.8157 182.907 143.644 75.5617 143.644 190.316 GPRESSURE: 3846200 161.021 -6.99144 170.147 -67.0597 264.341 165.754 -60.7241 143.633 165.575 PRESSAVG: 3846200 56.5747 35.6492 -2.89611 35.6492 -8.84352 -34.9724 -2.89612 -34.9724 12.7727 GPRESSAVG: 3846200 58.7035 35.1163 0.311345 36.4459 -9.39609 -36.2872 -5.34423 -32.7718 12.5262 TIMING: 3846200 CPU: 11527.5, 0.00303168/step Wall: 11527.5, 0.00303168/step, 0.971654 hours remaining, 208.128906 MB of memory in use. ENERGY: 3846200 765.0044 2156.6623 1924.3738 103.1865 -206784.3592 18128.0788 0.0000 0.0000 34405.1717 -149301.8817 300.4689 -183707.0534 -149206.7865 299.0188 161.3747 196.9789 557116.4800 20.1680 20.6112 PRESSURE: 3846400 165.923 -15.052 -9.53196 -15.0519 275.182 -123.736 -9.53152 -123.734 -90.796 GPRESSURE: 3846400 157.355 15.6343 49.0515 -123.213 273.396 -60.7968 18.0053 -230.944 16.3019 PRESSAVG: 3846400 -19.8258 8.57993 50.9465 8.57991 27.4078 59.3806 50.9466 59.3806 -23.7007 GPRESSAVG: 3846400 -21.1083 9.19154 50.7938 7.07339 27.6531 58.7346 51.0247 59.7471 -23.1828 TIMING: 3846400 CPU: 11528.2, 0.00303435/step Wall: 11528.2, 0.00303435/step, 0.97234 hours remaining, 208.128906 MB of memory in use. ENERGY: 3846400 748.3086 2162.2236 1940.0179 115.8489 -206337.5234 17872.7459 0.0000 0.0000 34286.2871 -149212.0916 299.4307 -183498.3787 -149116.2599 299.0984 116.7698 149.0176 556865.2263 -5.3729 -5.5460 PRESSURE: 3846600 -67.8545 -92.4071 154.724 -92.407 -167.414 133.533 154.724 133.533 -80.8191 GPRESSURE: 3846600 -23.4608 0.617854 156.795 -49.0219 -177.955 160.191 50.8944 143.708 -11.1672 PRESSAVG: 3846600 28.9947 -13.232 35.6191 -13.2319 -15.6637 18.2454 35.6192 18.2453 -17.2641 GPRESSAVG: 3846600 28.5543 -13.8497 35.3102 -11.6181 -15.6157 18.2898 37.6671 20.1261 -16.4423 TIMING: 3846600 CPU: 11528.8, 0.00304297/step Wall: 11528.8, 0.00304297/step, 0.974934 hours remaining, 208.128906 MB of memory in use. ENERGY: 3846600 734.0407 2186.8879 1929.1690 112.9797 -206066.2862 17656.5890 0.0000 0.0000 34182.6008 -149264.0192 298.5252 -183446.6199 -149165.3010 299.6627 -105.3624 -70.8610 558201.3215 -1.3110 -1.1679 PRESSURE: 3846800 49.6549 226.651 166.369 226.651 -47.2049 1.49004 166.369 1.49084 -45.9036 GPRESSURE: 3846800 79.404 270.885 153.273 169.749 -65.3779 -17.8986 223.898 -6.93574 34.4134 PRESSAVG: 3846800 44.9705 4.50035 -54.2775 4.50028 -41.9969 -0.587993 -54.2774 -0.587981 13.6856 GPRESSAVG: 3846800 44.6387 3.65456 -56.5651 5.33629 -42.8159 -0.523075 -53.0167 -1.95452 13.8689 TIMING: 3846800 CPU: 11529.4, 0.00306051/step Wall: 11529.4, 0.00306051/step, 0.980385 hours remaining, 208.128906 MB of memory in use. ENERGY: 3846800 772.7647 2147.2476 1917.4143 113.5140 -206248.7106 17860.6415 0.0000 0.0000 34197.5068 -149239.6216 298.6553 -183437.1284 -149146.2903 299.5593 -14.4845 16.1465 558405.8701 5.5531 5.2305 PRESSURE: 3847000 -176.41 -9.8643 138.711 -9.86388 -46.8759 -139.782 138.711 -139.783 -83.6274 GPRESSURE: 3847000 -149.694 8.29712 179.635 -17.3159 -49.3171 -219.228 104.855 -86.4813 -33.0593 PRESSAVG: 3847000 44.8069 -13.6975 11.7371 -13.6974 15.2466 -36.9204 11.7371 -36.9204 -76.4333 GPRESSAVG: 3847000 45.5555 -14.3857 12.4571 -13.8094 15.7332 -35.9192 11.2388 -37.9146 -77.9866 TIMING: 3847000 CPU: 11530, 0.0031244/step Wall: 11530, 0.0031244/step, 1.00067 hours remaining, 208.128906 MB of memory in use. ENERGY: 3847000 767.6671 2076.5009 1941.4475 125.1383 -205979.8676 17670.0494 0.0000 0.0000 34302.2672 -149096.7972 299.5702 -183399.0644 -149007.9705 299.0025 -102.3045 -77.3569 558506.1774 -5.4599 -5.5660 PRESSURE: 3847200 156.044 -102.938 123.606 -102.937 -65.8561 61.2982 123.606 61.2992 -7.00964 GPRESSURE: 3847200 248.547 -14.5796 186.343 -54.9062 -76.9271 -30.7108 38.9848 66.384 8.97919 PRESSAVG: 3847200 32.1176 -57.3066 78.2331 -57.3066 -3.23731 4.171 78.233 4.171 -17.4522 GPRESSAVG: 3847200 31.7505 -54.2568 79.0381 -59.2297 -3.22565 3.06937 76.658 3.29879 -17.5388 TIMING: 3847200 CPU: 11530.6, 0.00305872/step Wall: 11530.6, 0.00305872/step, 0.97947 hours remaining, 208.128906 MB of memory in use. ENERGY: 3847200 742.7216 2062.1058 1935.3850 113.2367 -206020.0372 17749.3643 0.0000 0.0000 34163.2342 -149253.9896 298.3560 -183417.2239 -149145.6816 299.2654 27.7261 60.1997 557039.5106 3.8094 3.6620 PRESSURE: 3847400 -161.218 -38.9778 29.1615 -38.977 -176.896 43.604 29.1611 43.6034 -428.998 GPRESSURE: 3847400 -95.0547 -33.7498 8.27162 -76.4428 -124.869 58.0776 -9.15881 30.2383 -448.712 PRESSAVG: 3847400 24.8177 1.09755 53.0986 1.09754 27.2776 -20.7978 53.0986 -20.7979 -41.9791 GPRESSAVG: 3847400 24.2114 -0.158749 53.3958 0.0840476 26.9125 -19.4302 52.8727 -20.0804 -41.6764 TIMING: 3847400 CPU: 11531.2, 0.00300605/step Wall: 11531.2, 0.00300605/step, 0.962437 hours remaining, 208.128906 MB of memory in use. ENERGY: 3847400 781.2370 2096.5118 1960.0869 119.1959 -205849.8819 17327.2382 0.0000 0.0000 34285.1817 -149280.4304 299.4210 -183565.6121 -149173.1963 298.5930 -255.7039 -222.8787 557069.6849 3.3721 3.1492 PRESSURE: 3847600 152.393 -89.0119 -38.956 -89.0127 158.598 -41.9121 -38.9554 -41.9129 31.9985 GPRESSURE: 3847600 144.399 -84.9299 -49.7848 -86.2716 192.155 -8.95899 9.49882 -7.96796 98.9633 PRESSAVG: 3847600 -32.8598 42.1307 -14.1764 42.1306 66.747 32.4952 -14.1764 32.4951 -15.2455 GPRESSAVG: 3847600 -32.6448 43.1546 -14.6608 44.1041 65.8918 31.9413 -13.8904 32.4012 -14.5982 TIMING: 3847600 CPU: 11531.8, 0.00300624/step Wall: 11531.8, 0.00300624/step, 0.96233 hours remaining, 208.332031 MB of memory in use. ENERGY: 3847600 742.7714 2105.5169 1917.3426 94.1434 -206580.6635 18068.4523 0.0000 0.0000 34546.0334 -149106.4034 301.6991 -183652.4368 -149009.1442 299.2765 114.3299 145.1726 556521.9260 6.2139 6.2163 PRESSURE: 3847800 42.1515 -86.2738 -41.4188 -86.273 -189.314 250.265 -41.418 250.265 -239.193 GPRESSURE: 3847800 75.3706 -69.9854 -69.8196 -134.148 -116.71 285.946 -89.101 209.572 -253.038 PRESSAVG: 3847800 47.5078 -2.5993 -33.5825 -2.59932 19.9487 3.33661 -33.5824 3.33677 -53.7656 GPRESSAVG: 3847800 47.4573 -1.9235 -34.7101 -2.49421 21.4114 2.84154 -32.9333 3.78765 -54.8159 TIMING: 3847800 CPU: 11532.4, 0.00303487/step Wall: 11532.4, 0.00303487/step, 0.971328 hours remaining, 208.332031 MB of memory in use. ENERGY: 3847800 731.1899 2118.0995 1936.7639 114.7830 -205637.7398 17444.6679 0.0000 0.0000 34106.1842 -149186.0515 297.8578 -183292.2357 -149085.8247 299.8047 -128.7852 -98.1261 558594.9911 4.5636 4.6843 PRESSURE: 3848000 47.0222 -69.2624 75.259 -69.2628 23.9272 -326.749 75.2572 -326.748 80.5013 GPRESSURE: 3848000 87.1572 -116.306 80.6981 -49.7873 115.646 -348.679 44.7112 -276.548 52.2677 PRESSAVG: 3848000 23.7771 -45.0405 35.9088 -45.0406 19.355 -5.41381 35.9087 -5.41367 -26.8056 GPRESSAVG: 3848000 23.5319 -46.4284 35.3344 -44.2589 18.4386 -3.13424 34.7185 -4.95342 -26.1466 TIMING: 3848000 CPU: 11533, 0.00304337/step Wall: 11533, 0.00304337/step, 0.973878 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: 3848000 743.8961 2089.7397 1938.0943 102.8545 -206210.3708 17907.2457 0.0000 0.0000 34342.8318 -149085.7086 299.9245 -183428.5404 -148989.0112 299.1110 50.4836 85.0235 557222.0417 5.4421 5.2746 PRESSURE: 3848200 -173.692 -119.594 5.61635 -119.594 -32.4942 -108.854 5.6155 -108.854 207.779 GPRESSURE: 3848200 -93.9451 -31.8373 12.3775 -30.1205 -33.939 -162.921 25.5932 -9.28413 235.422 PRESSAVG: 3848200 -40.0488 -16.7884 37.1425 -16.7884 19.0868 -47.4029 37.1424 -47.4029 17.0465 GPRESSAVG: 3848200 -39.2347 -14.7432 35.7696 -18.0342 19.6601 -49.2522 38.8222 -48.4012 16.0365 TIMING: 3848200 CPU: 11533.6, 0.00303839/step Wall: 11533.6, 0.00303839/step, 0.972117 hours remaining, 208.332031 MB of memory in use. ENERGY: 3848200 775.6241 2087.9671 1937.0231 112.7899 -205997.0924 17990.2877 0.0000 0.0000 34187.4537 -148905.9468 298.5675 -183093.4005 -148814.3272 300.1718 0.5310 35.8461 557864.2405 -1.3052 -1.1794 LDB: ============= START OF LOAD BALANCING ============== 11537.1 LDB: ============== END OF LOAD BALANCING =============== 11537.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11537.1 LDB: ============= START OF LOAD BALANCING ============== 11537.4 LDB: Largest compute 4820 load 0.019734 is 16.7% of average load 0.118149 LDB: Average compute 0.001720 is 1.5% of average load 0.118149 LDB: TIME 11537.4 LOAD: AVG 0.118149 MAX 0.21971 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206 MB LDB: TIME 11537.4 LOAD: AVG 0.118149 MAX 0.21971 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: TIME 11537.4 LOAD: AVG 0.118149 MAX 0.21971 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11537.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11537.4 PRESSURE: 3848400 205.584 -40.5979 148.337 -40.5988 -296.117 100.396 148.338 100.396 -7.29367 GPRESSURE: 3848400 204.742 -19.0456 147.509 -14.3222 -237.614 78.2422 212.15 137.478 23.6503 PRESSAVG: 3848400 40.5832 6.48625 -11.4703 6.48621 -35.3141 -2.91295 -11.4702 -2.91296 -4.79862 GPRESSAVG: 3848400 39.8387 5.83353 -7.74358 8.12922 -35.9333 -3.12385 -12.9145 -2.3178 -3.50366 TIMING: 3848400 CPU: 11534.3, 0.00308977/step Wall: 11534.3, 0.00308977/step, 0.988383 hours remaining, 205.742188 MB of memory in use. ENERGY: 3848400 741.2737 2119.2383 1956.0920 109.0167 -206355.8582 17831.9143 0.0000 0.0000 34456.8935 -149141.4297 300.9206 -183598.3233 -149042.5619 299.8645 -32.6089 -3.0737 557542.4406 0.1568 0.1339 PRESSURE: 3848600 192.886 -29.2874 -67.4119 -29.2865 150.222 -147.258 -67.4111 -147.257 89.1942 GPRESSURE: 3848600 196.216 -105.543 -51.7534 -44.0681 180.364 -145.626 -88.0858 -147.875 158.806 PRESSAVG: 3848600 -17.945 -4.55457 18.8639 -4.55462 9.76713 -64.3296 18.8638 -64.3296 -6.10828 GPRESSAVG: 3848600 -16.754 -5.78634 16.2879 -5.95168 9.38768 -61.914 18.6798 -64.4567 -7.20648 TIMING: 3848600 CPU: 11534.9, 0.00302094/step Wall: 11534.9, 0.00302094/step, 0.966199 hours remaining, 205.742188 MB of memory in use. ENERGY: 3848600 731.3569 2126.5217 1964.1875 104.9825 -206350.3483 18075.2799 0.0000 0.0000 34348.0893 -148999.9305 299.9704 -183348.0198 -148904.8937 299.4569 144.1007 178.4619 557031.9167 -4.7621 -4.8576 PRESSURE: 3848800 201.977 13.1324 202.452 13.1318 -148.607 218.932 202.452 218.932 -210.805 GPRESSURE: 3848800 164.4 -25.3839 233.62 22.7498 -85.5685 195.856 155.987 217.618 -138.521 PRESSAVG: 3848800 -21.3418 -18.1838 -34.5636 -18.1837 65.2142 28.5583 -34.5635 28.5584 -60.6427 GPRESSAVG: 3848800 -22.3069 -16.6099 -33.6124 -18.1286 65.5213 27.0062 -34.6918 28.1521 -60.8817 TIMING: 3848800 CPU: 11535.5, 0.00302832/step Wall: 11535.5, 0.00302832/step, 0.968389 hours remaining, 205.742188 MB of memory in use. ENERGY: 3848800 722.0599 2163.2822 1936.8724 105.0365 -205721.5777 17597.4299 0.0000 0.0000 34258.1097 -148938.7870 299.1846 -183196.8967 -148840.2518 300.4483 -52.4784 -19.8965 557963.8220 -5.5901 -5.8891 PRESSURE: 3849000 11.1801 -77.742 -92.5763 -77.7425 94.0917 116.58 -92.5749 116.579 11.2741 GPRESSURE: 3849000 45.0698 -106.048 -70.4001 -65.9727 110.962 174.958 -121.651 109.826 60.8424 PRESSAVG: 3849000 -17.501 16.4894 70.2754 16.4892 22.9527 25.8505 70.2755 25.8506 -19.9423 GPRESSAVG: 3849000 -16.9947 14.6739 69.7981 16.326 22.8376 24.7195 68.6409 27.107 -19.8636 TIMING: 3849000 CPU: 11536.1, 0.00301726/step Wall: 11536.1, 0.00301726/step, 0.964685 hours remaining, 205.742188 MB of memory in use. ENERGY: 3849000 760.0616 2171.6593 1921.1436 108.5180 -205966.8177 17921.3159 0.0000 0.0000 34239.2817 -148844.8375 299.0202 -183084.1192 -148752.0493 300.4904 38.8486 72.2913 559013.7552 -4.8302 -4.6736 PRESSURE: 3849200 97.0466 80.1295 -172.217 80.1293 23.5676 8.64973 -172.219 8.64995 -294.215 GPRESSURE: 3849200 101.335 -28.5326 -199.418 125.752 73.5164 -15.1443 -219.026 -12.5304 -249.531 PRESSAVG: 3849200 32.9343 -17.3096 -46.8594 -17.3096 6.09263 26.3563 -46.8594 26.3563 13.0948 GPRESSAVG: 3849200 32.7314 -17.9646 -45.5731 -15.4501 6.96105 27.8815 -46.6731 26.3893 12.6198 TIMING: 3849200 CPU: 11536.7, 0.00304237/step Wall: 11536.7, 0.00304237/step, 0.972546 hours remaining, 205.742188 MB of memory in use. ENERGY: 3849200 755.5079 2178.0793 1943.9409 107.5792 -205705.1321 17545.5045 0.0000 0.0000 34448.4488 -148726.0716 300.8469 -183174.5203 -148632.1860 301.5662 -57.8669 -24.8930 556673.7710 17.3739 17.4374 PRESSURE: 3849400 0.386286 -95.8061 22.9159 -95.8051 -37.4651 115.239 22.9171 115.24 -229.396 GPRESSURE: 3849400 -11.565 -82.4328 -44.8657 -69.9103 28.9497 54.2909 35.1898 54.9632 -188.383 PRESSAVG: 3849400 2.27847 -5.56023 -77.6692 -5.56013 60.9757 -7.97179 -77.6691 -7.97179 -43.4548 GPRESSAVG: 3849400 1.07913 -2.41742 -81.0493 -8.12886 60.4789 -10.0389 -76.3016 -7.67218 -42.3223 TIMING: 3849400 CPU: 11537.3, 0.00302886/step Wall: 11537.3, 0.00302886/step, 0.968057 hours remaining, 205.742188 MB of memory in use. ENERGY: 3849400 758.4462 2109.3999 1917.9695 108.9396 -205996.4831 17556.9757 0.0000 0.0000 34721.7111 -148823.0411 303.2333 -183544.7522 -148717.8917 301.3018 -88.8250 -56.9994 555908.8449 6.5998 6.4119 PRESSURE: 3849600 -66.8705 4.62079 -195.568 4.62039 -58.7506 -84.7711 -195.568 -84.7712 -123.463 GPRESSURE: 3849600 -67.9808 -1.74152 -111.992 12.784 -28.824 -111.623 -258.986 -49.8966 -66.9013 PRESSAVG: 3849600 -8.2741 37.5783 -36.6342 37.5783 4.05934 -21.9531 -36.6342 -21.953 -13.4143 GPRESSAVG: 3849600 -7.17463 35.0457 -32.6517 38.7493 2.25555 -21.5356 -37.1544 -23.007 -13.6122 TIMING: 3849600 CPU: 11537.9, 0.00303512/step Wall: 11537.9, 0.00303512/step, 0.969888 hours remaining, 205.742188 MB of memory in use. ENERGY: 3849600 737.8542 2165.5523 1967.3978 116.7259 -206099.7082 17766.8160 0.0000 0.0000 34232.4726 -149112.8894 298.9607 -183345.3619 -149025.1730 300.3303 -83.0281 -54.5687 557954.4373 -5.8764 -6.1771 PRESSURE: 3849800 214.479 -33.3149 -46.3446 -33.3155 29.734 -132.152 -46.3439 -132.152 -101.021 GPRESSURE: 3849800 261.043 -32.4613 52.1179 29.5803 63.5411 -154.585 -151.785 -65.9705 -94.0106 PRESSAVG: 3849800 -11.8917 20.1548 -36.0199 20.1547 1.29206 -6.32246 -36.0201 -6.32245 -6.98159 GPRESSAVG: 3849800 -12.6252 20.0786 -38.0512 21.7665 2.7863 -6.40322 -36.0194 -6.74449 -6.95117 TIMING: 3849800 CPU: 11538.5, 0.00304466/step Wall: 11538.5, 0.00304466/step, 0.972768 hours remaining, 205.742188 MB of memory in use. ENERGY: 3849800 768.7507 2087.7288 1928.9206 115.9859 -206241.0639 17942.6221 0.0000 0.0000 34252.5674 -149144.4883 299.1362 -183397.0557 -149047.3358 299.2706 47.7306 76.8578 556976.6335 -5.8604 -5.5967 PRESSURE: 3850000 -257.258 -39.4968 34.2912 -39.497 -195.827 40.2671 34.2907 40.2653 42.4828 GPRESSURE: 3850000 -168.641 9.72353 -45.5585 -95.7237 -204.87 19.6692 15.8938 85.8919 69.2764 PRESSAVG: 3850000 72.673 10.3555 -36.4699 10.3555 -19.513 7.26401 -36.47 7.26386 -37.3757 GPRESSAVG: 3850000 73.7257 10.7548 -35.8037 9.18859 -19.8843 8.67767 -35.418 8.68906 -37.9901 TIMING: 3850000 CPU: 11539.1, 0.00302842/step Wall: 11539.1, 0.00302842/step, 0.967411 hours remaining, 205.742188 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: 3850000 762.9027 2146.3310 1921.9022 125.6130 -205719.8462 17624.0923 0.0000 0.0000 34241.4578 -148897.5472 299.0392 -183139.0050 -148803.9304 299.7549 -136.8675 -101.4118 560403.4726 5.2614 5.2838 PRESSURE: 3850200 -249.37 -109.365 44.1274 -109.364 81.4992 -66.0765 44.1289 -66.0788 -28.3784 GPRESSURE: 3850200 -191.06 -115.794 51.45 -113.442 92.4427 -114.542 99.3864 -78.6893 -9.93657 PRESSAVG: 3850200 -7.04502 3.72088 -0.521064 3.72087 37.6841 46.4025 -0.52103 46.4025 -7.78196 GPRESSAVG: 3850200 -8.53568 2.11678 0.851506 3.69327 37.5613 46.5365 -0.983711 47.2303 -6.98427 TIMING: 3850200 CPU: 11539.7, 0.00303351/step Wall: 11539.7, 0.00303351/step, 0.96887 hours remaining, 205.742188 MB of memory in use. ENERGY: 3850200 749.5905 2127.9926 1952.5265 109.9699 -205913.1741 17727.7406 0.0000 0.0000 34455.8579 -148789.4962 300.9116 -183245.3541 -148696.2477 300.5507 -65.4165 -36.1847 558890.9246 7.6190 7.3471 PRESSURE: 3850400 -428.002 -80.2037 -43.0746 -80.2015 -171.879 -127.776 -43.0739 -127.776 -412.189 GPRESSURE: 3850400 -398.282 -19.4024 73.7892 -37.6147 -164.282 -176.994 -119.527 -138.376 -351.827 PRESSAVG: 3850400 -55.1264 -0.061738 32.3757 -0.0616913 28.8632 -25.2536 32.3758 -25.2536 -13.9086 GPRESSAVG: 3850400 -53.9419 1.51299 32.2012 -0.728908 27.6656 -24.7355 30.1983 -26.0948 -14.4062 TIMING: 3850400 CPU: 11540.3, 0.00303415/step Wall: 11540.3, 0.00303415/step, 0.968904 hours remaining, 205.742188 MB of memory in use. ENERGY: 3850400 743.5097 2146.1099 1935.9174 110.7241 -205571.3278 17490.4423 0.0000 0.0000 34347.7785 -148796.8460 299.9677 -183144.6245 -148698.1042 300.3630 -337.3569 -304.7972 561277.1725 -13.3906 -13.5608 PRESSURE: 3850600 -208.672 55.665 -81.7963 55.6656 -34.9497 112.032 -81.7959 112.031 14.25 GPRESSURE: 3850600 -178.93 101.753 -138.479 -58.5788 -4.59041 132.252 -6.29085 69.0704 47.4611 PRESSAVG: 3850600 -19.6545 -44.1949 -48.3419 -44.1949 19.3629 -33.6103 -48.3418 -33.6102 -5.19522 GPRESSAVG: 3850600 -20.5579 -41.8751 -49.517 -45.4657 20.4394 -34.8995 -46.361 -34.188 -5.24868 TIMING: 3850600 CPU: 11540.9, 0.0030391/step Wall: 11540.9, 0.0030391/step, 0.970316 hours remaining, 205.742188 MB of memory in use. ENERGY: 3850600 761.0565 2170.7270 1941.9381 121.3492 -205873.4608 17765.4726 0.0000 0.0000 34225.5397 -148887.3777 298.9002 -183112.9174 -148789.0077 300.3004 -76.4572 -45.3533 560429.9887 -1.8290 -1.7891 PRESSURE: 3850800 54.4058 -124.986 13.1653 -124.985 62.6154 185.156 13.1639 185.156 -198.564 GPRESSURE: 3850800 113.359 -105.915 130.075 -117.621 18.8788 126.534 1.69686 196.762 -108.667 PRESSAVG: 3850800 12.4793 -18.0549 33.5001 -18.0549 -23.7243 -3.29104 33.5 -3.291 24.8054 GPRESSAVG: 3850800 12.3701 -20.4261 31.8717 -16.8217 -24.4998 -5.89884 34.5539 -2.65199 25.48 TIMING: 3850800 CPU: 11541.5, 0.00300143/step Wall: 11541.5, 0.00300143/step, 0.958124 hours remaining, 205.941406 MB of memory in use. ENERGY: 3850800 788.8732 2101.2370 1927.4058 98.6688 -206094.5816 17857.7153 0.0000 0.0000 34321.6018 -148999.0796 299.7391 -183320.6814 -148902.9698 300.0578 -27.1810 7.8568 557455.7579 4.5201 4.4501 PRESSURE: 3851000 -11.3097 -22.1925 -60.9088 -22.1933 -113.436 -62.9297 -60.9081 -62.9299 -279.294 GPRESSURE: 3851000 -60.1627 -69.0083 -78.6736 -26.8352 1.40022 -74.801 -33.4168 -123.803 -244.843 PRESSAVG: 3851000 42.5265 -5.50666 -3.20106 -5.50659 15.3736 17.518 -3.201 17.5179 1.06866 GPRESSAVG: 3851000 41.7351 -5.10471 -2.31167 -5.92073 16.8726 19.5866 -4.15585 17.1145 0.592121 TIMING: 3851000 CPU: 11542.1, 0.00300976/step Wall: 11542.1, 0.00300976/step, 0.960616 hours remaining, 205.941406 MB of memory in use. ENERGY: 3851000 780.9015 2111.9574 1960.3161 116.3518 -206201.1812 17741.1525 0.0000 0.0000 34361.8157 -149128.6863 300.0903 -183490.5019 -149033.6132 299.6640 -134.6799 -101.2018 558186.6171 19.6562 19.7333 PRESSURE: 3851200 5.08779 59.5557 89.0251 59.5559 -88.7526 223.094 89.0247 223.094 38.9532 GPRESSURE: 3851200 2.30242 -22.618 23.5492 5.70907 -20.3047 259.835 88.357 198.09 68.6118 PRESSAVG: 3851200 -19.8024 33.2516 39.1138 33.2516 44.4953 33.2507 39.1138 33.2505 -50.3153 GPRESSAVG: 3851200 -19.5339 32.8567 38.2463 33.8106 43.0587 35.8894 40.3675 30.9105 -49.1421 TIMING: 3851200 CPU: 11542.7, 0.00303171/step Wall: 11542.7, 0.00303171/step, 0.967452 hours remaining, 205.941406 MB of memory in use. ENERGY: 3851200 762.6955 2149.6969 1937.8306 120.8670 -205956.6462 17716.4215 0.0000 0.0000 34278.2925 -148990.8422 299.3609 -183269.1347 -148896.3501 299.9693 -14.9038 16.8699 557046.9495 -8.5408 -8.5391 PRESSURE: 3851400 -69.4788 -257.321 212.915 -257.322 -299.703 -110.433 212.915 -110.434 -43.5691 GPRESSURE: 3851400 -0.205366 -194.413 310.387 -285.158 -229.747 -8.29661 147.137 -172.225 -99.3412 PRESSAVG: 3851400 40.9136 -24.7977 30.391 -24.7977 -69.3571 33.9277 30.391 33.9276 16.9083 GPRESSAVG: 3851400 41.2734 -24.7251 33.3038 -24.4737 -68.3112 31.5821 26.7527 35.6553 15.0819 TIMING: 3851400 CPU: 11543.3, 0.00301521/step Wall: 11543.3, 0.00301521/step, 0.962019 hours remaining, 205.941406 MB of memory in use. ENERGY: 3851400 782.3015 2133.3350 1956.2434 125.9674 -206005.5385 17655.2944 0.0000 0.0000 34182.0544 -149170.3424 298.5204 -183352.3968 -149083.6850 299.7254 -137.5838 -109.7646 557383.0288 -3.8451 -3.9853 PRESSURE: 3851600 -379.975 141.908 170.853 141.909 -106.407 206.509 170.854 206.508 -239.499 GPRESSURE: 3851600 -325.162 124.458 243.485 154.285 -129.461 215.872 205.843 184.504 -168.365 PRESSAVG: 3851600 -26.3019 -43.9162 17.558 -43.9162 -6.45921 27.3903 17.558 27.3904 27.5262 GPRESSAVG: 3851600 -25.938 -43.6438 16.6104 -42.9603 -6.96367 28.4261 18.0611 27.3785 28.0389 TIMING: 3851600 CPU: 11543.9, 0.00302986/step Wall: 11543.9, 0.00302986/step, 0.966527 hours remaining, 205.941406 MB of memory in use. ENERGY: 3851600 737.3350 2116.0903 1930.3652 115.6039 -205762.2530 17372.0930 0.0000 0.0000 34442.3320 -149048.4335 300.7935 -183490.7656 -148949.2240 299.9194 -241.9604 -207.6626 557982.6094 -1.7450 -1.6209 PRESSURE: 3851800 -224.913 85.2433 -44.8192 85.2433 35.9837 52.8248 -44.8187 52.8244 54.6108 GPRESSURE: 3851800 -210.883 163.698 -11.6571 104.507 75.6366 92.5062 -53.2945 10.3111 102.622 PRESSAVG: 3851800 7.44824 -21.8233 -36.6463 -21.8233 -50.96 33.7856 -36.6464 33.7856 40.1001 GPRESSAVG: 3851800 7.41164 -22.2893 -36.0325 -23.7719 -51.8759 34.6108 -34.2972 32.8113 41.8144 TIMING: 3851800 CPU: 11544.6, 0.00303178/step Wall: 11544.6, 0.00303178/step, 0.966968 hours remaining, 205.941406 MB of memory in use. ENERGY: 3851800 765.8315 2106.2484 1945.7922 110.6657 -206533.6155 17928.3121 0.0000 0.0000 34549.2757 -149127.4899 301.7274 -183676.7656 -149026.4226 299.9222 -44.7730 -10.8748 556724.8576 -1.1372 -0.8833 PRESSURE: 3852000 -120.81 63.9306 -47.7697 63.9302 -104.43 -42.087 -47.7698 -42.0884 55.9537 GPRESSURE: 3852000 -36.8042 -0.0981425 -32.2382 101.442 -87.4285 -73.2882 -48.608 -6.50053 52.1994 PRESSAVG: 3852000 -3.43852 40.4916 -34.2148 40.4917 -17.5873 -11.5735 -34.2148 -11.5735 12.6113 GPRESSAVG: 3852000 -2.29437 41.0006 -34 41.2064 -17.2158 -12.6338 -36.0336 -10.3115 11.6333 TIMING: 3852000 CPU: 11545.2, 0.00304936/step Wall: 11545.2, 0.00304936/step, 0.972406 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: 3852000 787.2693 2137.6932 1945.7348 112.8634 -206268.4273 17738.2354 0.0000 0.0000 34231.9539 -149314.6772 298.9562 -183546.6311 -149218.2557 299.8217 -56.4286 -24.0111 556735.8835 -2.8049 -2.6256 PRESSURE: 3852200 114.209 -100.966 5.97316 -100.965 -40.0584 106.434 5.97293 106.434 -93.3282 GPRESSURE: 3852200 53.6219 24.4374 54.2232 -142.979 16.9542 63.1148 74.5347 119.688 11.1287 PRESSAVG: 3852200 4.96391 -0.0942099 -16.6289 -0.0942873 33.5955 -2.07205 -16.629 -2.07211 0.300249 GPRESSAVG: 3852200 4.62341 -0.311411 -16.9924 0.502427 33.7453 -3.0002 -15.3518 -3.20241 0.732426 TIMING: 3852200 CPU: 11545.8, 0.00304484/step Wall: 11545.8, 0.00304484/step, 0.970795 hours remaining, 205.941406 MB of memory in use. ENERGY: 3852200 734.0859 2169.0437 1936.8959 105.3045 -206271.1312 17792.3395 0.0000 0.0000 34091.0636 -149442.3982 297.7257 -183533.4618 -149346.9502 298.6307 -6.3926 27.2350 556427.1348 12.9532 13.0337 LDB: ============= START OF LOAD BALANCING ============== 11549.2 LDB: ============== END OF LOAD BALANCING =============== 11549.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11549.2 LDB: ============= START OF LOAD BALANCING ============== 11549.5 LDB: Largest compute 4820 load 0.021030 is 17.8% of average load 0.118135 LDB: Average compute 0.001721 is 1.5% of average load 0.118135 LDB: TIME 11549.5 LOAD: AVG 0.118135 MAX 0.216762 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.512 MB LDB: TIME 11549.5 LOAD: AVG 0.118135 MAX 0.216762 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: TIME 11549.5 LOAD: AVG 0.118135 MAX 0.216762 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.516 MB LDB: ============== END OF LOAD BALANCING =============== 11549.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11549.5 PRESSURE: 3852400 237.5 -87.1739 -37.387 -87.1753 200.833 10.4144 -37.3877 10.4129 -192.582 GPRESSURE: 3852400 245.233 -154.863 -70.9003 -28.4581 227.906 60.8423 -20.9354 -120.534 -127.584 PRESSAVG: 3852400 23.2866 28.4999 -53.5656 28.4998 -21.4043 10.6483 -53.5656 10.6482 56.9936 GPRESSAVG: 3852400 22.2001 27.4913 -55.1547 27.2341 -20.6904 11.5032 -53.5004 11.8309 56.9501 TIMING: 3852400 CPU: 11546.4, 0.00308463/step Wall: 11546.4, 0.00308463/step, 0.983312 hours remaining, 205.800781 MB of memory in use. ENERGY: 3852400 741.9824 2164.3849 1898.3554 102.7781 -206880.1129 18037.4571 0.0000 0.0000 34501.4241 -149433.7310 301.3095 -183935.1551 -149341.6577 299.2248 81.9170 115.1849 556341.7685 19.6253 19.4866 PRESSURE: 3852600 -16.9635 -42.5701 -179.708 -42.5711 122.704 -211.866 -179.706 -211.868 149.497 GPRESSURE: 3852600 88.4651 3.06969 -144.614 10.9661 87.6855 -111.366 -204.362 -303.265 178.583 PRESSAVG: 3852600 -10.3647 44.0609 -30.2674 44.061 12.0579 -11.757 -30.2675 -11.757 8.77716 GPRESSAVG: 3852600 -8.84143 47.1359 -28.8827 43.4215 12.0408 -10.4984 -29.6115 -12.1616 7.63831 TIMING: 3852600 CPU: 11547, 0.00303297/step Wall: 11547, 0.00303297/step, 0.966675 hours remaining, 205.800781 MB of memory in use. ENERGY: 3852600 727.4825 2094.0390 2003.8311 111.3747 -206225.9717 17698.1990 0.0000 0.0000 34193.8488 -149397.1967 298.6234 -183591.0454 -149293.9709 298.9668 85.0793 118.2447 555992.9881 3.4901 3.6126 PRESSURE: 3852800 -55.9009 -155.015 -218.484 -155.014 64.8705 118.219 -218.485 118.219 3.67219 GPRESSURE: 3852800 -55.2973 -73.4574 -166.966 -158.471 61.6352 69.7893 -258.23 158.922 90.2978 PRESSAVG: 3852800 10.9296 36.9092 -26.5701 36.9092 -17.442 10.1591 -26.5701 10.1591 37.1842 GPRESSAVG: 3852800 10.6646 35.4672 -25.5532 36.6834 -17.1964 8.16091 -29.6891 11.3478 37.3649 TIMING: 3852800 CPU: 11547.6, 0.00302355/step Wall: 11547.6, 0.00302355/step, 0.963504 hours remaining, 205.800781 MB of memory in use. ENERGY: 3852800 766.2464 2106.7804 1948.3639 113.0648 -206396.1274 17862.5483 0.0000 0.0000 34211.6015 -149387.5221 298.7784 -183599.1236 -149287.5745 299.3849 4.2139 32.2119 558020.2136 10.2239 10.2777 PRESSURE: 3853000 134.473 29.7951 -75.1798 29.7936 50.1786 -95.9546 -75.1795 -95.9545 -21.3043 GPRESSURE: 3853000 181 40.939 -114.57 -5.31388 78.8928 -79.2968 -33.5206 -165.424 5.074 PRESSAVG: 3853000 29.8756 -53.7726 -48.5518 -53.7725 11.3933 64.2701 -48.5519 64.27 -4.03379 GPRESSAVG: 3853000 29.3112 -53.5423 -47.2321 -53.5022 11.5942 63.9695 -46.8558 63.9864 -3.48933 TIMING: 3853000 CPU: 11548.2, 0.00303637/step Wall: 11548.2, 0.00303637/step, 0.967423 hours remaining, 205.800781 MB of memory in use. ENERGY: 3853000 741.0199 2087.2487 1943.2650 116.1281 -206535.0051 17865.6200 0.0000 0.0000 34361.5374 -149420.1861 300.0879 -183781.7234 -149323.8939 299.0426 54.4492 88.3223 557380.0298 12.4117 12.4720 PRESSURE: 3853200 -87.5779 -11.2771 -0.390629 -11.2767 -191.155 -106.356 -0.391798 -106.354 -87.9067 GPRESSURE: 3853200 -15.9512 -10.1153 19.1873 27.061 -162.961 -123.959 -36.9386 -197.525 -81.2834 PRESSAVG: 3853200 -49.1345 22.1386 -1.62539 22.1386 12.238 -32.2506 -1.62535 -32.2506 23.2236 GPRESSAVG: 3853200 -48.2025 21.4029 -3.57527 24.6073 11.5325 -30.9989 -3.22191 -32.5978 23.333 TIMING: 3853200 CPU: 11548.8, 0.00303623/step Wall: 11548.8, 0.00303623/step, 0.967208 hours remaining, 206.097656 MB of memory in use. ENERGY: 3853200 748.5300 2133.5856 1911.5985 108.9942 -206213.5649 17727.6177 0.0000 0.0000 34304.2714 -149278.9676 299.5877 -183583.2390 -149185.1090 299.3689 -122.2131 -86.7318 558152.9807 -4.5576 -4.4457 PRESSURE: 3853400 22.5043 -39.3199 127.144 -39.319 76.3858 -135.478 127.143 -135.478 11.5836 GPRESSURE: 3853400 92.0727 -54.619 165.033 -28.9732 102.296 -175.853 12.0996 -125.457 12.3902 PRESSAVG: 3853400 -13.7507 66.3558 -25.3192 66.3558 23.402 53.4252 -25.3192 53.4253 -0.707831 GPRESSAVG: 3853400 -14.5253 67.1647 -25.5273 65.3404 23.3522 50.8083 -23.7408 54.5227 -0.81704 TIMING: 3853400 CPU: 11549.4, 0.00305516/step Wall: 11549.4, 0.00305516/step, 0.973067 hours remaining, 206.097656 MB of memory in use. ENERGY: 3853400 757.4505 2023.9860 1960.6903 115.2024 -206363.5249 17865.5639 0.0000 0.0000 34231.3617 -149409.2701 298.9510 -183640.6317 -149315.1946 298.8824 36.8246 68.9195 556993.6500 2.9812 2.6700 PRESSURE: 3853600 -30.324 75.3262 -93.0757 75.3254 -17.2286 24.33 -93.0746 24.3288 85.6524 GPRESSURE: 3853600 -7.00664 28.6284 -27.997 107.577 27.3985 12.6473 -106.249 -20.166 103.534 PRESSAVG: 3853600 -1.48441 27.6932 17.4392 27.6932 -8.70568 -33.9932 17.4391 -33.9932 17.8143 GPRESSAVG: 3853600 -1.3859 26.9177 17.0767 28.174 -8.84212 -33.7303 16.9033 -34.2359 18.0602 TIMING: 3853600 CPU: 11550, 0.00304439/step Wall: 11550, 0.00304439/step, 0.96947 hours remaining, 206.097656 MB of memory in use. ENERGY: 3853600 731.6151 2059.0718 1932.5093 112.3513 -206165.2447 17850.9116 0.0000 0.0000 34237.6341 -149241.1516 299.0058 -183478.7857 -149140.2220 299.2596 12.6999 41.3087 558228.5315 2.5414 2.6107 PRESSURE: 3853800 106.258 -140.268 124.062 -140.268 93.2512 41.7319 124.06 41.7325 -62.3212 GPRESSURE: 3853800 69.1436 -121.402 113.021 -184.893 197.217 31.1106 55.2855 30.0607 -39.8152 PRESSAVG: 3853800 5.73942 24.5475 6.35559 24.5475 -37.2045 -30.8887 6.35565 -30.8887 20.518 GPRESSAVG: 3853800 6.35081 26.4761 5.95872 22.313 -36.5765 -29.2145 6.07807 -34.4482 19.2749 TIMING: 3853800 CPU: 11550.6, 0.00303247/step Wall: 11550.6, 0.00303247/step, 0.965505 hours remaining, 206.097656 MB of memory in use. ENERGY: 3853800 718.8364 2089.8603 1928.2876 114.7886 -206163.7858 17925.0424 0.0000 0.0000 34100.3961 -149286.5743 297.8072 -183386.9704 -149189.8833 299.3419 45.7293 75.5152 559179.6125 -3.6490 -3.6503 PRESSURE: 3854000 -141.985 -37.9901 70.721 -37.9907 -205.394 35.2964 70.7211 35.2966 139.173 GPRESSURE: 3854000 -103.136 -47.3153 41.5062 -103.974 -185.864 86.7427 18.5654 33.8251 178.528 PRESSAVG: 3854000 -16.0192 8.3195 -10.139 8.31948 -62.3618 -0.503919 -10.139 -0.504019 75.9817 GPRESSAVG: 3854000 -16.6554 7.53864 -8.03284 9.33926 -62.7736 -0.0268399 -9.76421 2.3775 77.2993 TIMING: 3854000 CPU: 11551.2, 0.0030304/step Wall: 11551.2, 0.0030304/step, 0.964678 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: 3854000 745.2107 2089.1860 1946.0900 103.2762 -206307.2266 17722.5143 0.0000 0.0000 34296.1607 -149404.7887 299.5169 -183700.9494 -149310.0605 298.9660 -69.4022 -36.8239 557838.7714 -0.7998 -0.7099 PRESSURE: 3854200 -332.449 71.9832 38.4138 71.9828 -58.7894 -13.9766 38.4155 -13.9779 -169.73 GPRESSURE: 3854200 -294.593 107.555 140.766 4.70995 -26.5547 -5.60793 -14.9485 -79.4494 -147.184 PRESSAVG: 3854200 -71.8337 -26.1639 13.5575 -26.1638 1.84041 -8.886 13.5576 -8.88602 90.8544 GPRESSAVG: 3854200 -71.8363 -26.5123 11.7119 -25.6035 1.86026 -9.42749 13.854 -9.25945 90.7368 TIMING: 3854200 CPU: 11551.9, 0.00303829/step Wall: 11551.9, 0.00303829/step, 0.967021 hours remaining, 206.097656 MB of memory in use. ENERGY: 3854200 780.8243 2137.6300 1936.8552 113.3728 -206210.8258 17598.4668 0.0000 0.0000 34269.7472 -149373.9295 299.2862 -183643.6767 -149285.9205 299.3178 -186.9893 -156.1105 557433.1939 6.9537 6.9203 PRESSURE: 3854400 -140.287 79.6433 13.7289 79.6437 -3.97956 -27.4568 13.7286 -27.4582 -338.579 GPRESSURE: 3854400 -74.8107 25.7003 75.9499 37.2501 7.80495 -111.854 22.9403 -55.7508 -337.821 PRESSAVG: 3854400 -74.9405 83.6712 29.3361 83.6712 72.436 -4.44108 29.3361 -4.44119 -4.0041 GPRESSAVG: 3854400 -74.4705 82.843 31.5454 85.2843 73.4422 -4.32256 29.3887 -3.48685 -6.23349 TIMING: 3854400 CPU: 11552.5, 0.00303396/step Wall: 11552.5, 0.00303396/step, 0.965474 hours remaining, 206.097656 MB of memory in use. ENERGY: 3854400 794.0892 2125.1942 1961.7331 108.0281 -206052.0533 17562.1516 0.0000 0.0000 34259.1205 -149241.7365 299.1934 -183500.8570 -149147.0793 298.6748 -160.9486 -134.9423 558617.5581 -2.1695 -2.4206 PRESSURE: 3854600 -199.56 55.7219 2.52269 55.721 99.1464 7.66795 2.52077 7.66779 145.771 GPRESSURE: 3854600 -84.3636 89.5932 64.9328 46.5647 60.405 13.6751 -33.9554 36.6699 157.901 PRESSAVG: 3854600 -27.9437 -37.4349 1.07834 -37.4349 6.19443 17.6375 1.07833 17.6374 48.5517 GPRESSAVG: 3854600 -26.4525 -38.7207 0.0734601 -36.1877 4.17338 16.3393 0.36645 18.5517 49.4317 TIMING: 3854600 CPU: 11553.1, 0.00302102/step Wall: 11553.1, 0.00302102/step, 0.961188 hours remaining, 206.097656 MB of memory in use. ENERGY: 3854600 721.3548 2086.9409 1925.8129 110.0183 -205827.8196 17584.2107 0.0000 0.0000 34199.0913 -149200.3906 298.6692 -183399.4820 -149103.9521 299.1157 15.1191 44.6473 557283.5914 8.9342 9.0508 PRESSURE: 3854800 -102.42 6.0548 72.1309 6.05594 -219.341 -212.044 72.131 -212.042 -124.575 GPRESSURE: 3854800 -60.0723 -41.6707 105.211 48.595 -174.963 -223.496 90.64 -287.587 -122.423 PRESSAVG: 3854800 -42.2841 -1.63302 53.4698 -1.63298 34.5676 -15.5865 53.4699 -15.5864 23.6147 GPRESSAVG: 3854800 -43.7766 -0.393857 51.3444 -6.94726 35.677 -15.2948 56.6762 -15.9469 23.5125 TIMING: 3854800 CPU: 11553.7, 0.00302955/step Wall: 11553.7, 0.00302955/step, 0.963733 hours remaining, 206.097656 MB of memory in use. ENERGY: 3854800 752.2405 2053.5360 1954.1429 109.4691 -205995.3829 17516.5122 0.0000 0.0000 34330.3994 -149279.0827 299.8159 -183609.4821 -149182.7836 298.8785 -148.7788 -119.1526 556681.7214 5.2994 5.1376 PRESSURE: 3855000 -173.524 -64.4545 17.0643 -64.454 -209.752 24.8505 17.064 24.8499 -159.232 GPRESSURE: 3855000 -107.907 -36.4362 -0.514845 -47.4913 -192.772 -142.151 28.2519 31.0947 -138.656 PRESSAVG: 3855000 -43.1341 -39.6994 -46.2383 -39.6993 19.3037 -44.851 -46.2382 -44.8509 18.2474 GPRESSAVG: 3855000 -43.5394 -38.8765 -42.3598 -37.5342 18.5233 -44.8853 -49.2374 -46.1396 19.6934 TIMING: 3855000 CPU: 11554.3, 0.00300499/step Wall: 11554.3, 0.00300499/step, 0.955755 hours remaining, 206.097656 MB of memory in use. ENERGY: 3855000 793.7971 2097.9034 1927.9960 115.8586 -205846.8912 17444.6073 0.0000 0.0000 34126.0996 -149340.6292 298.0317 -183466.7288 -149247.2167 298.7630 -180.8361 -146.4449 556903.3404 -1.8610 -1.7742 PRESSURE: 3855200 -203.526 -156.854 69.2389 -156.854 -125.415 29.3154 69.2386 29.3172 -99.7616 GPRESSURE: 3855200 -137.167 -142.805 54.8395 -141.846 -104.821 15.4195 94.5356 74.7862 -78.8294 PRESSAVG: 3855200 8.1915 43.1341 -12.4811 43.1341 35.9965 -25.737 -12.4811 -25.7371 -56.9059 GPRESSAVG: 3855200 8.55824 45.0986 -17.798 44.8384 36.7422 -25.2454 -10.0102 -25.5008 -57.2573 TIMING: 3855200 CPU: 11554.9, 0.00296193/step Wall: 11554.9, 0.00296193/step, 0.941892 hours remaining, 206.097656 MB of memory in use. ENERGY: 3855200 778.0718 2096.1534 1937.7863 100.6892 -206425.8078 17863.1703 0.0000 0.0000 34313.3080 -149336.6288 299.6667 -183649.9368 -149237.4620 298.9016 -142.9007 -106.9391 557295.4671 -4.2393 -3.9856 PRESSURE: 3855400 -367.776 84.0718 -293.521 84.072 -268.886 -9.72035 -293.522 -9.72046 76.6736 GPRESSURE: 3855400 -357.644 71.9627 -265.985 116.67 -207.23 2.54193 -244.143 5.52138 97.2048 PRESSAVG: 3855400 -6.92666 29.2458 -60.4464 29.2458 7.97561 -50.3565 -60.4463 -50.3566 -18.502 GPRESSAVG: 3855400 -7.6373 28.2091 -56.7417 26.8586 8.96491 -50.4961 -61.5841 -49.5111 -19.4744 TIMING: 3855400 CPU: 11555.5, 0.0029719/step Wall: 11555.5, 0.0029719/step, 0.9449 hours remaining, 206.097656 MB of memory in use. ENERGY: 3855400 748.3365 2104.7170 1967.5892 116.1505 -206085.2251 17658.8835 0.0000 0.0000 34154.9140 -149334.6343 298.2834 -183489.5484 -149233.7448 298.3394 -186.6630 -155.8897 558864.0434 -5.8177 -6.0489 PRESSURE: 3855600 -53.3081 -61.1674 -14.9908 -61.1677 -21.8431 -124.721 -14.9899 -124.719 119.849 GPRESSURE: 3855600 -17.9189 -32.422 21.9269 -120.241 -46.6948 -116.18 -101.028 -125.461 202.001 PRESSAVG: 3855600 -12.2672 -10.3207 -19.1656 -10.3209 -21.5167 -15.8333 -19.1656 -15.8333 28.4259 GPRESSAVG: 3855600 -11.9396 -10.3712 -19.7941 -10.033 -21.5482 -15.3397 -19.9588 -14.9091 27.8628 TIMING: 3855600 CPU: 11556.1, 0.00298985/step Wall: 11556.1, 0.00298985/step, 0.950439 hours remaining, 206.097656 MB of memory in use. ENERGY: 3855600 757.2338 2061.7491 1940.5604 105.3692 -206295.6173 17879.3688 0.0000 0.0000 34291.3502 -149259.9859 299.4749 -183551.3360 -149169.4179 299.1756 14.8992 45.7959 556984.6803 -1.7860 -1.8750 PRESSURE: 3855800 -100.297 -235.882 -87.6734 -235.883 -10.4548 62.5971 -87.6733 62.5954 -207.499 GPRESSURE: 3855800 -70.5802 -185.127 -61.7967 -189.434 9.76365 -0.154575 -61.4528 113.165 -172.001 PRESSAVG: 3855800 -56.604 -35.3029 23.9083 -35.3029 28.8349 8.7509 23.9083 8.75078 22.8506 GPRESSAVG: 3855800 -57.0711 -35.5856 24.268 -35.0017 28.1135 8.70055 22.3462 5.2576 23.8863 TIMING: 3855800 CPU: 11556.7, 0.00299998/step Wall: 11556.7, 0.00299998/step, 0.953494 hours remaining, 206.097656 MB of memory in use. ENERGY: 3855800 796.5211 2034.8850 1920.7538 103.3154 -206142.2862 17719.8540 0.0000 0.0000 34329.5481 -149237.4089 299.8085 -183566.9569 -149143.1739 299.3135 -106.0837 -77.6059 557513.3569 -1.6395 -1.6904 PRESSURE: 3856000 75.6078 -68.4049 144.299 -68.4065 267.881 -146.251 144.301 -146.251 283.991 GPRESSURE: 3856000 120.394 -124.794 152.608 19.1113 352.4 -158.88 103.375 -75.3259 240.421 PRESSAVG: 3856000 -0.090153 -20.9873 -6.02614 -20.9873 -13.6462 -2.95103 -6.02612 -2.951 10.7436 GPRESSAVG: 3856000 0.288126 -21.3995 -6.35832 -20.155 -14.0433 -1.66936 -3.78945 -0.471869 10.7295 TIMING: 3856000 CPU: 11557.3, 0.00300023/step Wall: 11557.3, 0.00300023/step, 0.953406 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: 3856000 700.5024 2091.3993 1930.4165 104.6558 -206571.0553 18152.1716 0.0000 0.0000 34348.1455 -149243.7642 299.9709 -183591.9097 -149150.1559 299.3431 209.1599 237.7385 555534.5480 -0.9976 -1.0086 PRESSURE: 3856200 10.5529 -166.766 125.899 -166.766 -102.403 47.9629 125.898 47.9633 121.511 GPRESSURE: 3856200 9.04987 -158.44 154.355 -135.607 -21.3426 -20.1759 93.6531 45.8109 141.076 PRESSAVG: 3856200 -11.2323 -20.3142 -14.4341 -20.3142 -44.667 44.4562 -14.4342 44.4562 50.5823 GPRESSAVG: 3856200 -9.62208 -19.5102 -16.944 -19.5915 -45.0115 44.4989 -13.6168 43.0222 49.727 TIMING: 3856200 CPU: 11557.9, 0.00302138/step Wall: 11557.9, 0.00302138/step, 0.959959 hours remaining, 206.097656 MB of memory in use. ENERGY: 3856200 711.7180 2089.9786 1942.8827 126.8800 -205848.0917 17679.4930 0.0000 0.0000 34095.3101 -149201.8293 297.7628 -183297.1394 -149107.6160 298.7620 9.8870 42.9277 557721.9663 -1.7723 -1.6355 LDB: ============= START OF LOAD BALANCING ============== 11561.3 LDB: ============== END OF LOAD BALANCING =============== 11561.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11561.3 LDB: ============= START OF LOAD BALANCING ============== 11561.6 LDB: Largest compute 4820 load 0.020584 is 17.4% of average load 0.118233 LDB: Average compute 0.001713 is 1.4% of average load 0.118233 LDB: TIME 11561.6 LOAD: AVG 0.118233 MAX 0.219365 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.672 MB LDB: TIME 11561.6 LOAD: AVG 0.118233 MAX 0.219365 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: TIME 11561.6 LOAD: AVG 0.118233 MAX 0.219365 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.738 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11561.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11561.6 PRESSURE: 3856400 -299.724 56.473 190.582 56.474 -273.752 37.2716 190.582 37.27 -227.299 GPRESSURE: 3856400 -303.373 42.1457 207.176 64.4461 -234.408 44.4492 92.4451 -139.508 -170.136 PRESSAVG: 3856400 3.43807 28.0245 42.3847 28.0244 -8.66743 54.6923 42.3848 54.6923 7.67227 GPRESSAVG: 3856400 2.55612 27.848 44.0028 28.787 -9.08758 54.1243 42.0021 55.764 8.59837 TIMING: 3856400 CPU: 11558.5, 0.0031023/step Wall: 11558.5, 0.0031023/step, 0.985498 hours remaining, 205.933594 MB of memory in use. ENERGY: 3856400 769.8329 2094.8727 1941.9398 121.8696 -205715.7923 17478.8468 0.0000 0.0000 33926.4811 -149381.9495 296.2884 -183308.4306 -149285.2059 298.8661 -266.9249 -235.9723 558780.2972 0.8143 0.6890 PRESSURE: 3856600 -45.7953 120.802 64.6558 120.802 -148.986 -62.7484 64.6562 -62.7489 9.81916 GPRESSURE: 3856600 -1.19549 77.3127 -3.80706 195.633 -114.076 -155.65 70.6178 33.2789 18.9189 PRESSAVG: 3856600 16.4273 8.0221 43.4073 8.02211 -53.8344 33.9412 43.4072 33.9412 -21.7399 GPRESSAVG: 3856600 14.7853 7.14848 44.0228 6.66722 -52.4112 33.5585 42.2273 33.1452 -21.672 TIMING: 3856600 CPU: 11559.1, 0.00302918/step Wall: 11559.1, 0.00302918/step, 0.962103 hours remaining, 205.933594 MB of memory in use. ENERGY: 3856600 727.9021 2089.1512 1942.0792 105.9958 -206077.2054 17685.9471 0.0000 0.0000 34292.4577 -149233.6723 299.4846 -183526.1300 -149138.5924 298.6282 -61.6539 -32.1175 557698.7116 -19.7157 -19.7659 PRESSURE: 3856800 -203.255 120.386 -11.0776 120.385 95.8025 284.043 -11.0772 284.042 7.59134 GPRESSURE: 3856800 -166.019 145.635 52.7272 141.395 99.4902 351.926 -96.9413 289.472 66.6234 PRESSAVG: 3856800 1.49597 5.72901 0.80576 5.72898 -57.976 49.1209 0.805825 49.121 11.6737 GPRESSAVG: 3856800 1.61187 6.87569 3.94335 6.64417 -57.967 51.3777 -1.31763 49.9633 11.7947 TIMING: 3856800 CPU: 11559.7, 0.0030059/step Wall: 11559.7, 0.0030059/step, 0.954542 hours remaining, 205.933594 MB of memory in use. ENERGY: 3856800 752.6203 2142.0985 1939.7912 117.9838 -206369.2062 17968.5125 0.0000 0.0000 34379.8801 -149068.3198 300.2480 -183448.2000 -148980.2160 299.3467 -33.2870 0.0314 557872.0548 -14.9354 -14.8535 PRESSURE: 3857000 77.0487 73.6593 -6.58003 73.6599 -70.7571 97.3132 -6.57882 97.3138 -294.66 GPRESSURE: 3857000 137.894 16.3291 -46.5104 146.187 -88.2083 185.595 -26.9981 92.0599 -239.365 PRESSAVG: 3857000 -80.941 22.566 6.85076 22.566 53.2752 73.7352 6.8508 73.7352 40.6191 GPRESSAVG: 3857000 -79.5146 21.9227 5.27837 21.6654 52.1283 74.2287 8.87445 73.0783 39.8285 TIMING: 3857000 CPU: 11560.3, 0.00300362/step Wall: 11560.3, 0.00300362/step, 0.953648 hours remaining, 205.933594 MB of memory in use. ENERGY: 3857000 795.0483 2101.9343 1916.7227 112.2911 -206132.9992 17808.1226 0.0000 0.0000 34202.3122 -149196.5680 298.6973 -183398.8802 -149101.3468 299.7868 -96.1227 -63.2264 557758.3835 4.3178 4.1474 PRESSURE: 3857200 323.338 1.58527 -54.5419 1.58536 -349.768 14.1143 -54.542 14.1146 49.9681 GPRESSURE: 3857200 343.135 4.34958 -42.9568 -0.597306 -307.048 31.3324 -9.67008 9.12741 84.9093 PRESSAVG: 3857200 18.2044 -7.62879 -20.3284 -7.62888 15.4119 35.64 -20.3283 35.6399 -39.6242 GPRESSAVG: 3857200 17.821 -5.65562 -20.6369 -8.59882 15.4867 33.011 -19.2894 36.7086 -39.009 TIMING: 3857200 CPU: 11560.9, 0.00302497/step Wall: 11560.9, 0.00302497/step, 0.960259 hours remaining, 205.933594 MB of memory in use. ENERGY: 3857200 767.3507 2096.1590 1935.6591 95.5175 -205888.2858 17838.5292 0.0000 0.0000 34307.6012 -148847.4691 299.6168 -183155.0703 -148748.0798 300.0696 7.8461 40.3320 559280.6347 -2.0026 -1.9004 PRESSURE: 3857400 -351.105 24.832 -147.051 24.8321 -242.705 -54.3825 -147.051 -54.3838 -133.818 GPRESSURE: 3857400 -303.37 14.3764 -205.658 50.1565 -232.142 -36.0632 -63.9584 -41.0403 -96.9635 PRESSAVG: 3857400 35.2993 -28.1746 7.49268 -28.1746 -0.143203 -65.5037 7.49263 -65.5036 6.17128 GPRESSAVG: 3857400 35.6092 -29.5408 6.13066 -26.5938 0.732252 -64.8013 5.89079 -64.8992 5.75462 TIMING: 3857400 CPU: 11561.5, 0.00303066/step Wall: 11561.5, 0.00303066/step, 0.961899 hours remaining, 205.933594 MB of memory in use. ENERGY: 3857400 809.7411 2109.2275 1934.8370 111.6284 -205721.1155 17419.8358 0.0000 0.0000 34411.0125 -148924.8333 300.5199 -183335.8458 -148819.1339 300.8197 -242.5428 -210.8251 559059.3033 13.7758 14.0320 PRESSURE: 3857600 -131.335 44.1976 39.497 44.1973 246.971 -81.7759 39.4969 -81.7754 -91.7004 GPRESSURE: 3857600 -105.216 78.3436 61.3856 11.9684 279.132 -32.5007 83.4636 -156.061 -61.029 PRESSAVG: 3857600 -6.08965 -39.4675 28.3531 -39.4675 -13.2869 14.3816 28.3531 14.3817 21.4394 GPRESSAVG: 3857600 -6.31184 -40.4589 28.9258 -40.1683 -13.3698 12.5839 29.6062 14.5171 20.9778 TIMING: 3857600 CPU: 11562.1, 0.00301267/step Wall: 11562.1, 0.00301267/step, 0.956021 hours remaining, 205.933594 MB of memory in use. ENERGY: 3857600 777.1655 2100.1843 1929.1383 108.4174 -205963.7660 17820.6228 0.0000 0.0000 34424.6895 -148803.5481 300.6394 -183228.2377 -148704.2491 300.2467 7.9786 37.6290 556680.2584 0.6876 0.4320 PRESSURE: 3857800 128.182 -48.7668 152.96 -48.7661 -82.6448 178.284 152.961 178.284 310.153 GPRESSURE: 3857800 191.86 -134.169 84.3927 -84.7311 -50.7349 81.5412 259.194 196.439 301.543 PRESSAVG: 3857800 -62.9446 40.807 8.70685 40.8071 -9.32336 18.5431 8.70689 18.5431 108.881 GPRESSAVG: 3857800 -63.0383 41.7002 9.75212 41.1841 -10.2517 18.5599 9.84679 19.2052 110.019 TIMING: 3857800 CPU: 11562.7, 0.00300768/step Wall: 11562.7, 0.00300768/step, 0.954269 hours remaining, 205.933594 MB of memory in use. ENERGY: 3857800 723.6122 2153.7615 1924.5344 104.4658 -206314.8311 17928.2927 0.0000 0.0000 34663.2695 -148816.8951 302.7230 -183480.1646 -148720.2674 300.6904 118.5633 147.5563 557087.0899 12.2044 12.2430 PRESSURE: 3858000 -13.714 -73.3833 94.8073 -73.3828 -331.612 -12.737 94.808 -12.7367 -74.5357 GPRESSURE: 3858000 48.3881 -89.837 176.07 -127.254 -284.346 -43.7054 46.5709 61.7352 -88.4593 PRESSAVG: 3858000 -88.3533 -17.7527 28.5587 -17.7527 13.1422 75.3711 28.5587 75.371 71.8679 GPRESSAVG: 3858000 -87.8479 -19.1933 24.9052 -16.1119 13.2002 75.3286 28.3602 76.8026 71.6076 TIMING: 3858000 CPU: 11563.3, 0.00304072/step Wall: 11563.3, 0.00304072/step, 0.964584 hours remaining, 205.933594 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: 3858000 722.0846 2137.0506 1913.3435 108.1426 -205788.2472 17461.8971 0.0000 0.0000 34344.7879 -149100.9408 299.9416 -183445.7288 -148992.0743 301.1501 -139.9539 -108.1391 557550.9438 -1.1144 -1.0134 PRESSURE: 3858200 -107.123 -37.5356 131.41 -37.5354 -233.694 -65.8048 131.411 -65.8037 11.0653 GPRESSURE: 3858200 20.203 -113.617 145.939 46.9785 -195.646 -51.2808 99.52 -70.1012 -55.0588 PRESSAVG: 3858200 -2.80671 -27.9969 16.6354 -27.9969 -34.9832 -10.2798 16.6354 -10.2797 32.7558 GPRESSAVG: 3858200 -2.04613 -26.0938 19.3981 -30.6751 -34.3418 -8.38194 15.6499 -14.4485 31.8438 TIMING: 3858200 CPU: 11563.9, 0.00301262/step Wall: 11563.9, 0.00301262/step, 0.955503 hours remaining, 205.933594 MB of memory in use. ENERGY: 3858200 740.6232 2050.1722 1931.2482 102.2026 -205755.4811 17483.9912 0.0000 0.0000 34267.3729 -149179.8707 299.2655 -183447.2436 -149081.0000 299.3113 -109.9172 -76.8339 556441.6825 -1.6780 -1.5147 PRESSURE: 3858400 145.465 99.7165 -39.1787 99.7176 170.489 143.941 -39.179 143.942 -88.9724 GPRESSURE: 3858400 213.458 79.5579 -8.38991 79.4119 148.11 175.305 -84.8399 74.1731 -20.0114 PRESSAVG: 3858400 -32.5128 21.8011 10.4197 21.801 54.6222 -0.646134 10.4198 -0.646169 -10.5366 GPRESSAVG: 3858400 -31.89 20.884 8.26508 20.4688 54.2374 -0.892112 9.52417 0.580939 -10.7578 TIMING: 3858400 CPU: 11564.5, 0.00302927/step Wall: 11564.5, 0.00302927/step, 0.960616 hours remaining, 205.933594 MB of memory in use. ENERGY: 3858400 764.7428 2047.8689 1964.0039 109.2451 -206486.9560 18038.6446 0.0000 0.0000 34394.9789 -149167.4719 300.3799 -183562.4508 -149066.3477 299.6721 75.6605 113.8523 555844.2730 3.8576 3.8632 PRESSURE: 3858600 -235.549 -48.2703 -102.193 -48.2708 -388.427 -118.691 -102.193 -118.69 -38.4761 GPRESSURE: 3858600 -151.09 44.6228 -83.3454 -57.5297 -358.549 -137.737 -84.0561 -30.8885 -52.5889 PRESSAVG: 3858600 -14.6309 22.9308 12.7779 22.9307 14.4567 -59.194 12.7779 -59.194 23.7765 GPRESSAVG: 3858600 -15.2436 23.3313 12.9642 24.7316 14.5834 -59.0533 13.5258 -57.2713 24.5892 TIMING: 3858600 CPU: 11565.1, 0.00303939/step Wall: 11565.1, 0.00303939/step, 0.963655 hours remaining, 205.933594 MB of memory in use. ENERGY: 3858600 776.8542 2084.4600 1925.5355 116.4674 -205990.1893 17519.9545 0.0000 0.0000 34469.8112 -149097.1065 301.0334 -183566.9178 -149000.0980 300.2558 -220.8174 -187.4093 557787.4201 7.8674 7.9764 PRESSURE: 3858800 205.641 104.053 102.058 104.053 212.873 -53.5006 102.057 -53.4998 225.176 GPRESSURE: 3858800 204.176 171.321 187.802 -13.5937 274.444 -52.5683 72.1355 -59.8842 253.293 PRESSAVG: 3858800 14.4309 11.3446 50.1752 11.3446 -17.3469 -45.5316 50.1752 -45.5315 14.2713 GPRESSAVG: 3858800 13.6484 10.3268 49.8978 11.377 -16.72 -45.4259 49.4522 -46.5539 13.7197 TIMING: 3858800 CPU: 11565.7, 0.00305167/step Wall: 11565.7, 0.00305167/step, 0.967379 hours remaining, 205.933594 MB of memory in use. ENERGY: 3858800 749.0779 2073.8811 1926.3697 109.3792 -206422.7515 18175.0032 0.0000 0.0000 34217.6766 -149171.3638 298.8315 -183389.0404 -149076.4255 299.6132 214.5629 243.9709 556523.6240 3.7851 3.5494 PRESSURE: 3859000 -47.864 65.3154 -213.159 65.3165 -185.836 28.5202 -213.157 28.521 -26.8784 GPRESSURE: 3859000 -11.2481 175.551 -269.555 76.3622 -158.081 -3.01811 -221.819 1.26799 7.0173 PRESSAVG: 3859000 -9.9665 22.4884 17.1787 22.4883 -24.4307 74.8794 17.1788 74.8794 33.0918 GPRESSAVG: 3859000 -9.44734 23.0468 17.2202 23.0609 -24.3466 74.1222 17.5618 76.384 32.4359 TIMING: 3859000 CPU: 11566.3, 0.00303099/step Wall: 11566.3, 0.00303099/step, 0.960656 hours remaining, 205.933594 MB of memory in use. ENERGY: 3859000 772.1900 2144.7349 1973.2879 118.1094 -206118.4567 17748.2234 0.0000 0.0000 34279.7191 -149082.1920 299.3733 -183361.9111 -148987.3424 299.7691 -86.8595 -54.1039 556586.5753 -0.4351 -0.4527 PRESSURE: 3859200 50.9638 -156.819 313.74 -156.82 -158.912 50.3206 313.74 50.3195 128.133 GPRESSURE: 3859200 95.9836 -156.901 317.42 -109.613 -185.813 55.4309 352.458 29.2587 213.962 PRESSAVG: 3859200 32.8162 12.5626 25.6745 12.5627 -43.7915 -27.4713 25.6745 -27.4712 -6.65142 GPRESSAVG: 3859200 32.6831 12.0645 28.2734 11.5813 -43.3937 -27.8957 24.751 -28.232 -7.12441 TIMING: 3859200 CPU: 11567, 0.00304535/step Wall: 11567, 0.00304535/step, 0.965036 hours remaining, 205.933594 MB of memory in use. ENERGY: 3859200 754.2771 2093.0828 1931.8068 128.0820 -205787.9169 17655.4711 0.0000 0.0000 34233.3065 -148991.8905 298.9680 -183225.1970 -148897.4115 299.8966 6.7280 41.3775 557963.4767 -5.8756 -5.9450 PRESSURE: 3859400 410.252 82.0377 -12.7754 82.0377 -11.0389 -19.7488 -12.7751 -19.7508 -209.975 GPRESSURE: 3859400 461.666 93.7862 3.95652 125.982 -6.70037 -3.92507 -61.8436 -7.92209 -166.695 PRESSAVG: 3859400 22.1659 -45.6537 12.2312 -45.6537 -26.2908 22.9173 12.2312 22.9173 -10.9851 GPRESSAVG: 3859400 23.0981 -46.8533 10.8993 -43.124 -27.0805 25.5827 14.1548 21.8562 -10.5768 TIMING: 3859400 CPU: 11567.6, 0.00306344/step Wall: 11567.6, 0.00306344/step, 0.970599 hours remaining, 205.933594 MB of memory in use. ENERGY: 3859400 742.9258 2039.7038 1950.1565 124.2684 -206278.6359 18018.0765 0.0000 0.0000 34397.5116 -149005.9933 300.4020 -183403.5049 -148904.0774 299.7183 63.0794 96.0901 558038.1845 -5.0367 -4.8531 PRESSURE: 3859600 -218.888 46.1345 167.162 46.134 -25.2139 -40.8136 167.162 -40.8135 376.413 GPRESSURE: 3859600 -199.865 -78.5798 109.475 39.6967 13.0773 -115.813 252.257 -20.7568 414.111 PRESSAVG: 3859600 5.29969 32.0001 56.7994 32.0001 6.3724 -13.3737 56.7994 -13.3737 12.1206 GPRESSAVG: 3859600 4.52459 32.7398 54.9791 31.1151 7.76682 -14.5642 55.958 -14.0783 11.9702 TIMING: 3859600 CPU: 11568.2, 0.00306633/step Wall: 11568.2, 0.00306633/step, 0.971346 hours remaining, 205.933594 MB of memory in use. ENERGY: 3859600 760.4728 2095.0366 1943.6678 116.6050 -206113.8314 17924.1800 0.0000 0.0000 34375.8558 -148898.0136 300.2129 -183273.8693 -148799.6270 299.7544 44.1038 75.7746 558443.5220 7.9309 8.0872 PRESSURE: 3859800 9.73022 59.8165 -4.4087 59.8176 -174.516 -69.111 -4.40873 -69.111 -25.5209 GPRESSURE: 3859800 79.0746 60.1183 -5.15873 9.22396 -177.633 -33.1869 85.0837 -70.6615 -5.36419 PRESSAVG: 3859800 -83.9155 30.2408 5.98983 30.2409 26.9061 -61.0418 5.98984 -61.0417 47.7134 GPRESSAVG: 3859800 -83.8248 29.9878 7.87755 30.8212 25.9836 -61.449 4.59666 -61.2003 48.6134 TIMING: 3859800 CPU: 11568.8, 0.00304318/step Wall: 11568.8, 0.00304318/step, 0.963844 hours remaining, 205.933594 MB of memory in use. ENERGY: 3859800 730.3890 2120.1735 1932.0815 107.4163 -205651.2015 17541.1353 0.0000 0.0000 34334.8062 -148885.1996 299.8544 -183220.0058 -148791.6601 299.8201 -63.4356 -34.6409 557381.4873 -3.0987 -3.0759 PRESSURE: 3860000 66.6576 40.0697 59.4683 40.0707 -170.678 -7.71186 59.4678 -7.71357 105.897 GPRESSURE: 3860000 111.603 73.602 165.145 37.596 -141.283 -48.0928 43.6778 1.54294 122.617 PRESSAVG: 3860000 75.6688 -2.81772 45.1946 -2.81775 -46.4566 -29.3207 45.1946 -29.3205 -14.5414 GPRESSAVG: 3860000 76.3182 -3.20641 44.4603 -4.37016 -47.1035 -28.8926 47.8916 -28.653 -15.0209 TIMING: 3860000 CPU: 11569.4, 0.00302725/step Wall: 11569.4, 0.00302725/step, 0.958629 hours remaining, 205.933594 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: 3860000 760.4481 2063.7617 1950.3560 116.0592 -206136.5423 17826.3732 0.0000 0.0000 34305.6544 -149113.8897 299.5998 -183419.5441 -149014.7114 299.8047 0.6254 30.9789 556645.4994 4.8903 4.7313 PRESSURE: 3860200 161.24 39.0497 -43.6052 39.0499 -174.063 13.6119 -43.6058 13.6108 230.264 GPRESSURE: 3860200 139.301 48.8428 -37.7243 30.6013 -88.5103 -49.9963 -33.7413 -1.60177 253.568 PRESSAVG: 3860200 46.5305 -39.5681 -17.009 -39.5681 -3.65008 -16.6318 -17.009 -16.6317 -24.6453 GPRESSAVG: 3860200 46.3092 -38.3967 -18.4887 -39.0506 -3.16017 -16.2182 -17.2753 -17.8114 -25.0476 TIMING: 3860200 CPU: 11570, 0.00303221/step Wall: 11570, 0.00303221/step, 0.960032 hours remaining, 205.933594 MB of memory in use. ENERGY: 3860200 724.8991 2122.9816 1956.6184 113.5492 -206029.3296 17720.2471 0.0000 0.0000 34378.2274 -149012.8067 300.2336 -183391.0341 -148914.8142 299.9752 72.4800 101.4528 557010.8451 6.0784 6.0338 LDB: ============= START OF LOAD BALANCING ============== 11573.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11573.4 LDB: =============== DONE WITH MIGRATION ================ 11573.4 LDB: ============= START OF LOAD BALANCING ============== 11573.7 LDB: Largest compute 4820 load 0.020926 is 17.7% of average load 0.118077 LDB: Average compute 0.001726 is 1.5% of average load 0.118077 LDB: TIME 11573.7 LOAD: AVG 0.118077 MAX 0.214315 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.645 MB LDB: TIME 11573.7 LOAD: AVG 0.118077 MAX 0.214315 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.848 MB LDB: TIME 11573.7 LOAD: AVG 0.118077 MAX 0.214315 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.848 MB LDB: ============== END OF LOAD BALANCING =============== 11573.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11573.7 PRESSURE: 3860400 111.155 84.15 57.9529 84.151 239.375 137.36 57.9533 137.358 -390.921 GPRESSURE: 3860400 158.437 91.1241 47.9189 -18.6631 235.434 159.761 61.2912 57.8156 -332.878 PRESSAVG: 3860400 24.1222 1.37118 41.262 1.37113 8.12373 -22.8662 41.262 -22.8662 -10.0447 GPRESSAVG: 3860400 24.3031 3.57808 42.0976 -0.187728 7.74022 -21.852 41.2124 -23.5497 -9.29089 TIMING: 3860400 CPU: 11570.6, 0.00310094/step Wall: 11570.6, 0.00310094/step, 0.98162 hours remaining, 205.933594 MB of memory in use. ENERGY: 3860400 755.9692 2077.5110 1944.7460 121.9454 -205719.8437 17678.4699 0.0000 0.0000 34045.0339 -149096.1683 297.3237 -183141.2022 -148996.1224 299.4673 -13.4638 20.3312 558495.7720 7.4004 7.5841 PRESSURE: 3860600 -158.458 163.959 100.45 163.959 -207.511 4.15485 100.45 4.15517 -113.177 GPRESSURE: 3860600 -50.356 77.1635 177.112 151.054 -234.89 -54.6891 36.4006 -34.6882 -98.4077 PRESSAVG: 3860600 27.7434 -9.17297 35.2323 -9.17292 20.8591 -27.4535 35.2323 -27.4535 -69.7967 GPRESSAVG: 3860600 27.5621 -11.2922 35.6877 -8.43224 21.465 -31.104 35.3901 -26.1571 -69.9573 TIMING: 3860600 CPU: 11571.2, 0.00301966/step Wall: 11571.2, 0.00301966/step, 0.955724 hours remaining, 205.933594 MB of memory in use. ENERGY: 3860600 776.0178 2085.0826 1929.2514 126.4280 -206144.5459 17595.9771 0.0000 0.0000 34368.8387 -149262.9503 300.1516 -183631.7890 -149173.5574 299.6500 -159.7153 -127.8845 557853.1468 -7.0647 -6.9768 PRESSURE: 3860800 -264.95 -49.9635 27.0659 -49.9643 -126.726 -71.9265 27.0658 -71.9265 129.186 GPRESSURE: 3860800 -206.72 -32.6492 -31.9931 -12.1856 -109.287 -50.3279 69.2941 25.7061 137.005 PRESSAVG: 3860800 -24.5624 12.4348 28.1921 12.4348 15.3472 -75.5057 28.1921 -75.5058 -35.9593 GPRESSAVG: 3860800 -23.4345 12.6626 27.798 11.7629 14.8149 -74.0019 26.0486 -74.2003 -36.1153 TIMING: 3860800 CPU: 11571.8, 0.00302687/step Wall: 11571.8, 0.00302687/step, 0.957835 hours remaining, 205.933594 MB of memory in use. ENERGY: 3860800 776.0967 2105.3426 1914.7458 122.0233 -205888.0699 17400.4897 0.0000 0.0000 34418.2454 -149151.1263 300.5831 -183569.3717 -149055.3168 299.2742 -87.4965 -59.6673 556222.0182 -15.0582 -14.9116 PRESSURE: 3861000 -51.8573 -30.0162 -169.553 -30.0178 -224.728 272.606 -169.552 272.605 -104.623 GPRESSURE: 3861000 -8.06027 28.1031 -99.7679 -78.8424 -181.826 180.33 -100.96 245.743 -98.2632 PRESSAVG: 3861000 2.85321 26.1478 9.44787 26.1477 25.339 -27.0689 9.44783 -27.0691 -38.8995 GPRESSAVG: 3861000 1.03462 25.8577 10.7247 26.7374 26.1677 -26.171 10.3812 -28.9088 -37.9424 TIMING: 3861000 CPU: 11572.4, 0.00301126/step Wall: 11572.4, 0.00301126/step, 0.952729 hours remaining, 205.933594 MB of memory in use. ENERGY: 3861000 771.2225 2126.3144 1926.8189 116.7447 -206048.3122 17627.8322 0.0000 0.0000 34380.6479 -149098.7315 300.2547 -183479.3795 -148999.4383 299.2117 -127.0695 -96.0498 558415.3947 -3.5691 -3.5800 PRESSURE: 3861200 -19.7278 120.236 101.283 120.236 -275.931 126.691 101.283 126.69 -191.439 GPRESSURE: 3861200 4.96501 39.543 123.466 122.996 -286.574 207.769 63.6162 103.559 -106.449 PRESSAVG: 3861200 10.6796 2.68708 15.2781 2.68705 -58.0335 50.7378 15.2781 50.7377 58.8016 GPRESSAVG: 3861200 12.5918 2.38817 13.0278 3.2361 -60.3602 52.5089 14.0948 50.9008 58.7121 TIMING: 3861200 CPU: 11573, 0.00302015/step Wall: 11573, 0.00302015/step, 0.955373 hours remaining, 205.933594 MB of memory in use. ENERGY: 3861200 760.3277 2088.0947 1948.7133 118.4457 -206118.1813 17677.1548 0.0000 0.0000 34291.9007 -149233.5445 299.4797 -183525.4452 -149133.5384 299.8416 -162.3659 -129.3526 558730.4884 3.8159 3.6479 PRESSURE: 3861400 -38.1757 -117.956 23.2717 -117.957 -138.045 221.693 23.2721 221.692 -61.3373 GPRESSURE: 3861400 -9.5861 -138.843 3.38061 -52.3319 -133.693 193.586 34.6292 158.461 8.20634 PRESSAVG: 3861400 57.2983 -1.65487 45.2316 -1.65498 -29.0138 40.9024 45.2316 40.9025 -7.50274 GPRESSAVG: 3861400 56.8552 -1.93652 47.0536 -0.933772 -28.4017 37.1069 46.2836 41.2166 -8.00343 TIMING: 3861400 CPU: 11573.6, 0.00303226/step Wall: 11573.6, 0.00303226/step, 0.959037 hours remaining, 205.933594 MB of memory in use. ENERGY: 3861400 726.5667 2091.0203 1946.0238 123.7128 -205919.8838 17608.2486 0.0000 0.0000 34238.0726 -149186.2390 299.0096 -183424.3116 -149084.3171 298.7754 -79.1861 -45.0244 558843.6240 6.9272 6.8167 PRESSURE: 3861600 -36.145 -137.1 64.5033 -137.099 57.138 87.0129 64.5026 87.0132 -87.485 GPRESSURE: 3861600 27.4366 -205.645 24.0798 -91.35 57.6737 104.643 112.088 36.8562 -52.4785 PRESSAVG: 3861600 10.7157 9.00825 42.8871 9.0082 38.2482 20.9588 42.8872 20.9589 -3.44411 GPRESSAVG: 3861600 11.2078 9.24939 40.9978 8.65718 38.5889 21.3347 44.4222 21.3111 -3.36313 TIMING: 3861600 CPU: 11574.2, 0.00303916/step Wall: 11574.2, 0.00303916/step, 0.96105 hours remaining, 205.933594 MB of memory in use. ENERGY: 3861600 779.6690 2119.7930 1904.1182 109.4419 -206162.5603 17817.0774 0.0000 0.0000 34411.1622 -149021.2986 300.5212 -183432.4608 -148927.8131 300.1478 -22.1640 10.8773 557621.3163 15.1733 15.4779 PRESSURE: 3861800 -143.694 -59.406 87.7901 -59.4059 79.3367 -93.2545 87.7902 -93.2559 -91.6144 GPRESSURE: 3861800 -128.463 -69.752 61.4635 -100.535 115.209 -22.7813 92.6223 -122.172 -55.0798 PRESSAVG: 3861800 -88.1622 -7.25674 0.13679 -7.2566 51.0136 -22.6886 0.136814 -22.6885 20.6418 GPRESSAVG: 3861800 -89.8757 -7.19217 2.03684 -6.5543 51.9768 -23.1189 -2.17135 -21.4164 21.038 TIMING: 3861800 CPU: 11574.9, 0.00302976/step Wall: 11574.9, 0.00302976/step, 0.95791 hours remaining, 205.933594 MB of memory in use. ENERGY: 3861800 778.8001 2049.6579 1953.0052 119.4765 -205971.0219 17785.2246 0.0000 0.0000 34325.9769 -148958.8807 299.7773 -183284.8577 -148860.0800 299.8755 -51.9905 -22.7781 558493.3697 -5.5023 -5.6203 PRESSURE: 3862000 -28.0543 -11.4319 107.119 -11.4326 79.9456 11.1713 107.118 11.1715 133.308 GPRESSURE: 3862000 21.4557 29.2886 37.6687 -38.549 122.736 111.642 121.989 -5.2646 141.39 PRESSAVG: 3862000 -65.7294 34.9926 -28.7788 34.9926 59.6975 0.0589963 -28.7788 0.0589141 -13.8796 GPRESSAVG: 3862000 -64.6618 35.6492 -28.62 34.2342 61.2984 1.78289 -28.5945 -2.32812 -16.3922 TIMING: 3862000 CPU: 11575.5, 0.00303129/step Wall: 11575.5, 0.00303129/step, 0.958223 hours remaining, 205.933594 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: 3862000 733.1883 2127.0893 1914.4262 116.7464 -205819.8637 17717.2033 0.0000 0.0000 34210.8943 -149000.3159 298.7722 -183211.2102 -148913.4109 300.2760 61.7332 95.1940 557394.9942 -6.6372 -6.5852 PRESSURE: 3862200 213.069 82.9802 -92.5568 82.9793 -69.2621 2.18186 -92.5568 2.1813 164.76 GPRESSURE: 3862200 261.181 44.3409 -66.4067 107.114 -32.4345 77.8774 -99.6343 -29.6321 166.167 PRESSAVG: 3862200 39.1335 22.6949 1.26723 22.695 -65.2508 -63.017 1.26728 -63.017 12.9333 GPRESSAVG: 3862200 38.2667 21.3095 -0.950236 22.7056 -66.7328 -63.464 4.12761 -63.7607 15.4206 TIMING: 3862200 CPU: 11576.1, 0.00302057/step Wall: 11576.1, 0.00302057/step, 0.954669 hours remaining, 205.933594 MB of memory in use. ENERGY: 3862200 704.6638 2111.3527 1934.2899 117.1548 -205663.6394 17753.8795 0.0000 0.0000 34303.2848 -148739.0138 299.5791 -183042.2987 -148640.3228 299.7220 102.8557 131.6377 556856.6370 -4.3947 -4.3485 PRESSURE: 3862400 -202.253 75.9684 -118.017 75.968 150.837 -99.7427 -118.017 -99.7433 117.401 GPRESSURE: 3862400 -186.271 91.6849 -102.351 75.0892 200.526 -86.2339 -174.627 -117.536 146.551 PRESSAVG: 3862400 -17.7945 -17.0112 -37.0092 -17.0111 6.77736 -43.6406 -37.0092 -43.6406 59.8618 GPRESSAVG: 3862400 -17.4218 -16.2874 -36.4426 -15.6968 7.24457 -42.4576 -38.2368 -44.0728 58.9814 TIMING: 3862400 CPU: 11576.7, 0.00304242/step Wall: 11576.7, 0.00304242/step, 0.961403 hours remaining, 205.933594 MB of memory in use. ENERGY: 3862400 759.2663 2101.7081 1947.8824 107.9639 -205916.3631 17744.7859 0.0000 0.0000 34259.0278 -148995.7286 299.1926 -183254.7564 -148900.5727 299.9649 21.9949 53.6017 557280.5927 16.2816 16.2680 PRESSURE: 3862600 92.1648 133.846 39.6881 133.847 -151.597 43.4229 39.6884 43.425 93.3655 GPRESSURE: 3862600 160.195 104.293 41.5681 164.434 -130.63 105.825 128.286 -45.1382 96.2659 PRESSAVG: 3862600 -16.3371 45.8154 3.60548 45.8152 -9.93475 29.5888 3.60559 29.5887 -3.34552 GPRESSAVG: 3862600 -17.8185 45.7637 3.37004 44.2609 -9.14886 29.8188 4.41144 28.8758 -2.32488 TIMING: 3862600 CPU: 11577.3, 0.00303451/step Wall: 11577.3, 0.00303451/step, 0.958737 hours remaining, 205.933594 MB of memory in use. ENERGY: 3862600 751.0958 2039.2752 1957.2835 116.3766 -206182.1811 17789.6205 0.0000 0.0000 34446.6109 -149081.9187 300.8308 -183528.5296 -148990.4250 299.0410 11.3112 41.9437 558650.0037 -9.8725 -9.7641 PRESSURE: 3862800 -43.0084 62.0295 -104.164 62.0296 -35.9533 129.581 -104.164 129.58 -298.863 GPRESSURE: 3862800 13.7688 88.9694 -91.1115 118.58 -19.5744 107.598 -94.2882 101.034 -266.613 PRESSAVG: 3862800 -8.45848 71.2006 -23.6729 71.2005 -36.8352 74.3059 -23.6729 74.3059 46.7557 GPRESSAVG: 3862800 -6.01061 71.6587 -22.4154 72.1371 -36.6933 70.2878 -23.1505 77.5539 44.0463 TIMING: 3862800 CPU: 11577.9, 0.00303703/step Wall: 11577.9, 0.00303703/step, 0.959364 hours remaining, 205.933594 MB of memory in use. ENERGY: 3862800 789.3440 2099.9430 1925.8774 123.5273 -205894.0653 17689.2813 0.0000 0.0000 34219.3940 -149046.6983 298.8465 -183266.0923 -148944.6040 299.4887 -125.9415 -90.8062 559142.5612 0.4873 0.4475 PRESSURE: 3863000 222.698 -202.808 -160.961 -202.808 85.4872 -55.632 -160.963 -55.6331 -90.2112 GPRESSURE: 3863000 219.943 -201.121 -84.1864 -197.887 108.491 -25.2779 -223 -98.1897 -18.5194 PRESSAVG: 3863000 50.8442 45.5242 -18.6691 45.5243 -29.9723 2.27104 -18.6692 2.27106 -30.8366 GPRESSAVG: 3863000 50.5852 44.875 -18.307 45.211 -31.1318 4.56763 -19.9573 1.00591 -29.7272 TIMING: 3863000 CPU: 11578.5, 0.00301432/step Wall: 11578.5, 0.00301432/step, 0.952024 hours remaining, 205.933594 MB of memory in use. ENERGY: 3863000 777.3846 2098.1330 1927.1554 111.1722 -206166.1743 18047.4096 0.0000 0.0000 34224.9866 -148979.9329 298.8953 -183204.9195 -148879.0889 299.0904 72.6581 103.3051 558140.9793 -3.3216 -3.4246 PRESSURE: 3863200 124.302 -17.7553 73.7734 -17.7554 104.786 32.162 73.7749 32.1617 30.9553 GPRESSURE: 3863200 148.518 27.5063 140.634 10.5418 145.311 20.9884 20.4378 90.8246 70.1678 PRESSAVG: 3863200 92.63 25.1192 -33.9722 25.1191 -53.0996 32.2771 -33.9722 32.2771 12.2528 GPRESSAVG: 3863200 91.5988 26.2504 -34.8969 24.6908 -51.974 33.288 -34.5966 31.6575 12.6361 TIMING: 3863200 CPU: 11579.1, 0.00302313/step Wall: 11579.1, 0.00302313/step, 0.954638 hours remaining, 205.933594 MB of memory in use. ENERGY: 3863200 757.8809 2105.2754 1950.7100 103.1481 -206177.3602 17990.1391 0.0000 0.0000 34447.1592 -148823.0474 300.8356 -183270.2066 -148733.5880 300.2081 86.6810 121.3322 556849.0458 17.2611 17.4203 PRESSURE: 3863400 -49.4523 107.274 109.738 107.274 -12.2369 -3.30179 109.738 -3.30094 92.6975 GPRESSURE: 3863400 -59.6149 91.3961 60.231 38.3694 41.0358 -3.10881 153.006 27.4555 144.373 PRESSAVG: 3863400 -32.1536 39.7128 4.7138 39.7128 -21.2632 19.5719 4.71386 19.5719 26.4108 GPRESSAVG: 3863400 -31.6966 37.189 5.91722 41.8961 -21.8182 20.6211 6.23332 17.2358 26.7857 TIMING: 3863400 CPU: 11579.7, 0.00302112/step Wall: 11579.7, 0.00302112/step, 0.953835 hours remaining, 205.933594 MB of memory in use. ENERGY: 3863400 761.4159 2072.2293 1969.5358 128.4977 -205862.7651 17693.6379 0.0000 0.0000 34361.2579 -148876.1906 300.0854 -183237.4485 -148772.2664 300.0236 10.3361 41.9313 558355.1753 -9.0020 -8.9097 PRESSURE: 3863600 -33.1626 143.458 -30.7038 143.458 188.507 -108.871 -30.7038 -108.871 -265.303 GPRESSURE: 3863600 50.3284 102.834 31.7414 105.051 170.439 -54.5872 -67.6095 -218.147 -228.22 PRESSAVG: 3863600 -19.3559 1.61709 8.6029 1.61709 17.2963 13.3878 8.60286 13.3878 43.2157 GPRESSAVG: 3863600 -18.81 2.6055 7.88273 0.92361 18.1813 10.6811 9.85708 14.9117 41.813 TIMING: 3863600 CPU: 11580.3, 0.00301152/step Wall: 11580.3, 0.00301152/step, 0.950636 hours remaining, 205.933594 MB of memory in use. ENERGY: 3863600 744.2462 2112.4683 1943.6867 103.0483 -205811.2127 17719.5925 0.0000 0.0000 34352.2518 -148835.9189 300.0068 -183188.1707 -148737.1897 300.4723 -36.6527 -2.4842 557479.5510 13.7187 13.7281 PRESSURE: 3863800 -144.742 -111.375 -350.982 -111.376 69.1511 -2.1392 -350.985 -2.13937 -59.296 GPRESSURE: 3863800 -131.302 -70.1474 -330.225 -150.636 129.049 -80.0818 -325.876 39.0199 -17.4845 PRESSAVG: 3863800 -31.881 -18.5812 -13.15 -18.5811 40.6902 -38.0681 -13.15 -38.068 31.4044 GPRESSAVG: 3863800 -32.1051 -15.7517 -12.3818 -19.8321 39.6408 -37.2193 -13.5917 -35.8045 32.448 TIMING: 3863800 CPU: 11580.9, 0.00300641/step Wall: 11580.9, 0.00300641/step, 0.948857 hours remaining, 205.933594 MB of memory in use. ENERGY: 3863800 721.6117 2092.1318 1971.9165 113.8823 -205806.5443 17820.0893 0.0000 0.0000 34163.2906 -148923.6221 298.3565 -183086.9127 -148825.6757 300.4728 -44.9622 -6.5792 560179.5267 13.4046 13.3279 PRESSURE: 3864000 -140.945 -115.133 86.7525 -115.133 442.299 76.8443 86.7535 76.8427 231.024 GPRESSURE: 3864000 -122.461 -71.6683 126.178 -90.3298 477.163 23.2461 131.721 53.4358 270.605 PRESSAVG: 3864000 41.152 10.7806 19.1816 10.7806 -31.5867 15.2896 19.1815 15.2896 -29.4257 GPRESSAVG: 3864000 41.5388 6.54311 18.0522 11.4638 -31.3666 16.2779 17.9156 13.3735 -30.5624 TIMING: 3864000 CPU: 11581.5, 0.00304661/step Wall: 11581.5, 0.00304661/step, 0.961375 hours remaining, 205.933594 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: 3864000 725.9599 2094.6633 1923.4156 115.0368 -206338.0778 18021.6383 0.0000 0.0000 34383.4554 -149073.9085 300.2793 -183457.3639 -148976.5552 299.1727 177.4591 208.4355 558014.5143 -6.6201 -6.7967 PRESSURE: 3864200 97.7133 114.328 11.7156 114.328 151.654 210.531 11.7144 210.531 95.4233 GPRESSURE: 3864200 125.789 140.042 139.415 32.486 212.451 207.996 -62.4518 218.349 92.6899 PRESSAVG: 3864200 -7.93051 26.8205 -10.1522 26.8205 -25.9875 30.4907 -10.1522 30.4908 23.6532 GPRESSAVG: 3864200 -7.96829 26.6677 -10.3238 27.5538 -26.6079 28.2611 -11.6978 32.213 24.4992 TIMING: 3864200 CPU: 11582.1, 0.00302101/step Wall: 11582.1, 0.00302101/step, 0.95313 hours remaining, 205.933594 MB of memory in use. ENERGY: 3864200 714.5265 2086.1619 1955.3017 118.8920 -206127.0200 17859.4590 0.0000 0.0000 34464.8279 -148927.8510 300.9899 -183392.6789 -148827.5980 300.1118 114.9301 143.6433 558495.6270 -3.4216 -3.3590 LDB: ============= START OF LOAD BALANCING ============== 11585.5 LDB: ============== END OF LOAD BALANCING =============== 11585.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11585.5 LDB: ============= START OF LOAD BALANCING ============== 11585.8 LDB: Largest compute 4819 load 0.020267 is 17.2% of average load 0.118162 LDB: Average compute 0.001731 is 1.5% of average load 0.118162 LDB: TIME 11585.9 LOAD: AVG 0.118162 MAX 0.21368 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.637 MB LDB: TIME 11585.9 LOAD: AVG 0.118162 MAX 0.21368 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.707 MB LDB: TIME 11585.9 LOAD: AVG 0.118162 MAX 0.21368 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.707 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11585.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11585.9 PRESSURE: 3864400 126.023 -58.7667 -100.48 -58.7678 153.131 123.016 -100.481 123.015 -92.4176 GPRESSURE: 3864400 162.865 -114.67 -120.22 -18.5042 203.911 126.055 -102.439 78.0547 -74.265 PRESSAVG: 3864400 10.9367 9.64551 -36.0626 9.64549 -30.9701 5.12196 -36.0626 5.12192 -46.5959 GPRESSAVG: 3864400 10.1423 13.7315 -35.1158 7.6025 -28.1732 5.65893 -35.4472 3.09085 -48.1024 TIMING: 3864400 CPU: 11582.7, 0.00305154/step Wall: 11582.7, 0.00305154/step, 0.962592 hours remaining, 206.179688 MB of memory in use. ENERGY: 3864400 714.0053 2073.0490 1962.1732 119.3895 -206157.4636 17842.2210 0.0000 0.0000 34594.6797 -148851.9460 302.1239 -183446.6257 -148752.5921 300.0575 62.2454 97.5035 557543.2609 -22.2098 -22.0444 PRESSURE: 3864600 -28.1324 13.8466 -155.341 13.8457 -176.337 47.4781 -155.342 47.4781 -145.732 GPRESSURE: 3864600 13.2017 -6.81752 -134.063 57.1209 -198.822 73.9496 -119.683 -29.6645 -85.0421 PRESSAVG: 3864600 -42.5691 -2.06299 -24.5261 -2.063 -27.7884 -7.63466 -24.5261 -7.63459 62.2039 GPRESSAVG: 3864600 -42.4538 -1.67367 -25.5265 -0.555835 -29.4262 -5.38417 -24.7336 -8.18305 64.2767 TIMING: 3864600 CPU: 11583.3, 0.00300692/step Wall: 11583.3, 0.00300692/step, 0.948349 hours remaining, 206.179688 MB of memory in use. ENERGY: 3864600 712.8773 2148.0298 1949.1721 111.9589 -205821.8100 17671.1619 0.0000 0.0000 34359.4903 -148869.1197 300.0700 -183228.6100 -148781.6494 300.3367 -116.7337 -90.2208 558131.1816 -2.7179 -2.5344 PRESSURE: 3864800 -160.471 -75.0822 100.129 -75.0844 -0.995968 151.238 100.129 151.238 11.2937 GPRESSURE: 3864800 -78.3677 -62.5135 196.343 -92.2228 -21.6386 132.559 -6.70962 117.482 64.3812 PRESSAVG: 3864800 22.0692 -9.33562 13.3607 -9.33566 -49.3752 34.0886 13.3607 34.0887 -6.99912 GPRESSAVG: 3864800 21.3115 -10.7415 14.8162 -9.67474 -49.4522 33.3042 11.9603 36.0896 -5.84695 TIMING: 3864800 CPU: 11583.9, 0.00301076/step Wall: 11583.9, 0.00301076/step, 0.949394 hours remaining, 206.179688 MB of memory in use. ENERGY: 3864800 756.9571 2086.6557 1927.1161 111.5231 -205817.4870 17778.6422 0.0000 0.0000 34424.0004 -148732.5924 300.6334 -183156.5929 -148633.9847 300.3026 -50.0577 -11.8751 559428.8057 -11.4350 -11.3292 PRESSURE: 3865000 -224.171 308.005 98.6371 308.004 -185.34 -24.2688 98.6371 -24.2694 -344.498 GPRESSURE: 3865000 -174.93 241.463 185.77 293.518 -170.725 1.06268 -32.3414 -90.9873 -320.074 PRESSAVG: 3865000 22.1282 20.3921 -9.47962 20.3921 -6.2572 6.61558 -9.47953 6.61544 -55.0647 GPRESSAVG: 3865000 23.659 18.5303 -11.0996 20.4078 -6.75155 6.30892 -7.33412 5.55096 -56.1558 TIMING: 3865000 CPU: 11584.5, 0.00305282/step Wall: 11584.5, 0.00305282/step, 0.962486 hours remaining, 206.179688 MB of memory in use. ENERGY: 3865000 764.3086 2095.9790 1961.7675 119.4934 -205338.1665 17340.2500 0.0000 0.0000 34321.4869 -148734.8811 299.7381 -183056.3680 -148639.8717 300.4987 -251.3363 -221.9096 558511.5641 -13.0646 -13.0828 PRESSURE: 3865200 -32.1673 -3.01356 30.5635 -3.01225 -144.835 6.85096 30.5629 6.85293 249.094 GPRESSURE: 3865200 56.1388 63.4333 12.8466 -14.5321 -80.493 42.044 47.2073 21.7005 218.091 PRESSAVG: 3865200 46.6164 5.41218 2.97617 5.41214 2.0211 -33.2953 2.97621 -33.2953 -37.0638 GPRESSAVG: 3865200 46.5851 7.443 3.83138 5.21949 2.28562 -33.1868 1.56355 -32.844 -37.2325 TIMING: 3865200 CPU: 11585.1, 0.00303744/step Wall: 11585.1, 0.00303744/step, 0.957467 hours remaining, 206.179688 MB of memory in use. ENERGY: 3865200 752.5300 2110.9321 1924.4716 103.6250 -206010.3550 17837.5671 0.0000 0.0000 34488.6918 -148792.5373 301.1983 -183281.2291 -148698.3292 300.4523 24.0305 64.5789 558034.3038 3.8579 3.8794 PRESSURE: 3865400 -202.653 -142.284 7.27644 -142.284 -249.702 -32.6724 7.2773 -32.6731 -292.16 GPRESSURE: 3865400 -182.491 -117.447 25.8072 -199.302 -246.779 -57.2451 11.1564 16.6275 -217.39 PRESSAVG: 3865400 16.8794 -28.1621 -19.5668 -28.1622 -25.7375 62.8366 -19.5668 62.8365 -9.30456 GPRESSAVG: 3865400 17.2573 -25.7756 -20.761 -30.5394 -26.4515 64.1325 -20.1228 63.2857 -9.27994 TIMING: 3865400 CPU: 11585.8, 0.00302882/step Wall: 11585.8, 0.00302882/step, 0.954583 hours remaining, 206.179688 MB of memory in use. ENERGY: 3865400 784.6815 2197.3292 1929.4151 120.9839 -205368.4978 17393.3977 0.0000 0.0000 34068.6629 -148874.0277 297.5301 -182942.6905 -148777.5564 300.8015 -248.1719 -215.5535 559017.1882 -6.0542 -6.1581 PRESSURE: 3865600 90.6939 133.201 90.6718 133.201 92.2783 46.7077 90.6723 46.7084 34.3315 GPRESSURE: 3865600 53.7083 108.087 22.411 97.9259 138.552 35.3178 4.5823 44.9264 133.089 PRESSAVG: 3865600 -25.6887 32.1387 -14.5974 32.1388 26.8448 -10.6343 -14.5974 -10.6342 -22.4495 GPRESSAVG: 3865600 -26.6336 31.7778 -15.7304 33.6181 28.1536 -9.99232 -12.3082 -12.7194 -22.7944 TIMING: 3865600 CPU: 11586.4, 0.00304968/step Wall: 11586.4, 0.00304968/step, 0.960987 hours remaining, 206.179688 MB of memory in use. ENERGY: 3865600 766.9733 2070.4565 1925.5307 120.0488 -206290.4016 17903.7980 0.0000 0.0000 34679.0848 -148824.5097 302.8611 -183503.5944 -148728.5790 301.2042 72.4346 108.4497 556922.2766 -7.0978 -7.0915 PRESSURE: 3865800 -406.305 -7.12183 101.92 -7.12312 181.035 2.68779 101.919 2.68857 -316.987 GPRESSURE: 3865800 -398.462 -51.0774 127.395 24.3273 227.671 5.84842 104.87 8.3938 -275.393 PRESSAVG: 3865800 22.2128 -12.627 -1.73702 -12.6269 -0.720632 19.6116 -1.73715 19.6116 19.1157 GPRESSAVG: 3865800 21.5678 -14.0909 -1.686 -12.0871 -0.361739 19.2272 -2.1605 19.0861 18.8713 TIMING: 3865800 CPU: 11587, 0.0030341/step Wall: 11587, 0.0030341/step, 0.955911 hours remaining, 206.179688 MB of memory in use. ENERGY: 3865800 747.3958 2130.2090 1971.0089 110.1591 -205847.6918 17609.3708 0.0000 0.0000 34443.0795 -148836.4687 300.8000 -183279.5481 -148737.7152 301.1805 -180.7520 -148.7277 558343.9995 13.5360 13.3591 PRESSURE: 3866000 -94.062 -38.0986 102.608 -38.0984 -185.453 -138.843 102.607 -138.843 79.1478 GPRESSURE: 3866000 -90.3778 25.8304 83.8295 -24.1232 -182.496 -126.936 52.5833 -113.43 165.747 PRESSAVG: 3866000 45.6698 13.9232 8.54801 13.9231 -5.27164 0.826489 8.54804 0.826518 -19.9635 GPRESSAVG: 3866000 47.0494 14.3849 9.87199 13.7637 -6.34708 -0.5446 7.84348 1.7481 -20.5236 TIMING: 3866000 CPU: 11587.6, 0.00304084/step Wall: 11587.6, 0.00304084/step, 0.957863 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: 3866000 767.6422 2127.6943 1988.2528 124.5140 -205911.1320 17764.4729 0.0000 0.0000 34145.7650 -148992.7908 298.2035 -183138.5557 -148897.2289 300.2418 -66.7890 -35.7091 557896.4900 6.8115 6.7262 PRESSURE: 3866200 -195.35 131.456 71.6755 131.455 -58.8456 -132.006 71.6753 -132.006 -166.267 GPRESSURE: 3866200 -179.188 19.863 5.03949 211.825 -27.374 -100.286 95.2632 -114.191 -113.234 PRESSAVG: 3866200 -12.0638 -23.7017 31.0777 -23.7017 4.19319 -25.0454 31.0777 -25.0452 20.642 GPRESSAVG: 3866200 -12.6277 -23.9304 31.7756 -23.3525 5.00488 -25.504 28.5999 -22.1639 19.6141 TIMING: 3866200 CPU: 11588.2, 0.00302949/step Wall: 11588.2, 0.00302949/step, 0.954121 hours remaining, 206.179688 MB of memory in use. ENERGY: 3866200 751.8530 2170.2424 1944.7927 108.0209 -205885.8298 17498.8819 0.0000 0.0000 34299.4785 -149112.5604 299.5459 -183412.0390 -149026.2606 299.5180 -140.1541 -106.5985 557039.0242 4.2572 3.9971 PRESSURE: 3866400 7.05166 17.1155 18.2696 17.1143 236.937 48.0336 18.2703 48.0344 20.5059 GPRESSURE: 3866400 83.3123 87.9092 9.97936 47.8261 257.165 49.8532 90.1512 44.6945 29.0491 PRESSAVG: 3866400 -18.6874 40.4194 23.9449 40.4194 88.1155 -4.54551 23.945 -4.54549 -16.281 GPRESSAVG: 3866400 -18.9212 38.7965 22.2486 41.1183 87.2968 -5.56672 26.1136 -5.56525 -15.2509 TIMING: 3866400 CPU: 11588.8, 0.00303897/step Wall: 11588.8, 0.00303897/step, 0.956938 hours remaining, 206.179688 MB of memory in use. ENERGY: 3866400 776.8880 2069.5026 1950.1661 111.8624 -206205.6492 17894.6558 0.0000 0.0000 34227.2698 -149175.3045 298.9153 -183402.5743 -149078.4444 299.5629 88.1648 123.1755 556206.7102 17.7157 17.7082 PRESSURE: 3866600 -214.907 -184.496 -77.4392 -184.496 71.1452 -36.0215 -77.44 -36.021 -156.886 GPRESSURE: 3866600 -176.024 -165.369 -105.651 -137.705 71.9143 -97.9507 -45.4986 -4.2968 -100.539 PRESSAVG: 3866600 23.1025 12.4665 8.67646 12.4664 40.4408 50.9273 8.6765 50.9273 -68.9881 GPRESSAVG: 3866600 23.7007 12.0809 9.06101 11.9276 41.2443 52.4567 9.31892 50.3527 -70.4647 TIMING: 3866600 CPU: 11589.4, 0.00305932/step Wall: 11589.4, 0.00305932/step, 0.963176 hours remaining, 206.179688 MB of memory in use. ENERGY: 3866600 750.9124 2079.6221 1938.8252 108.5661 -206322.8369 17861.0778 0.0000 0.0000 34346.1290 -149237.7042 299.9533 -183583.8332 -149137.1646 299.2027 -100.2159 -68.2164 557769.7088 -1.8149 -1.8399 PRESSURE: 3866800 -170.725 177 236.018 177 -390.347 -36.2859 236.017 -36.2854 -40.9109 GPRESSURE: 3866800 -110.87 108.552 220.729 186.589 -378.973 -75.113 203.789 -3.7517 -9.30111 PRESSAVG: 3866800 -57.7488 -13.6182 12.2613 -13.6182 54.2791 2.44746 12.2613 2.44746 32.2816 GPRESSAVG: 3866800 -56.3057 -12.5376 13.5096 -13.6365 54.1073 2.0883 11.0442 3.65585 31.9696 TIMING: 3866800 CPU: 11590, 0.00307421/step Wall: 11590, 0.00307421/step, 0.967692 hours remaining, 206.179688 MB of memory in use. ENERGY: 3866800 731.3033 2078.9012 1963.5912 100.7959 -205622.9813 17390.6809 0.0000 0.0000 34112.5566 -149245.1521 297.9134 -183357.7087 -149150.1973 299.6089 -200.6609 -166.3813 557624.7729 9.6040 9.9237 PRESSURE: 3867000 46.4674 -62.0027 92.4634 -62.0026 -178.875 -60.2634 92.462 -60.263 -113.57 GPRESSURE: 3867000 63.1055 -108.37 136.867 11.7434 -181.926 -39.5486 79.8686 -57.8654 -31.0763 PRESSAVG: 3867000 -0.557158 20.5306 42.3365 20.5306 -21.265 3.16564 42.3365 3.16566 29.9023 GPRESSAVG: 3867000 -2.93087 18.6895 42.9618 23.1257 -20.4166 3.53032 42.0827 2.1102 32.027 TIMING: 3867000 CPU: 11590.6, 0.00301609/step Wall: 11590.6, 0.00301609/step, 0.949229 hours remaining, 206.179688 MB of memory in use. ENERGY: 3867000 756.6657 2088.7918 1932.1040 88.4569 -206317.0252 17740.7065 0.0000 0.0000 34102.2420 -149608.0583 297.8234 -183710.3003 -149506.6957 298.3022 -81.9927 -49.9657 558747.9727 2.6934 2.8932 PRESSURE: 3867200 75.8359 65.575 69.5453 65.5764 -54.9338 -114.661 69.546 -114.662 114.784 GPRESSURE: 3867200 54.6712 38.0157 57.9922 83.8972 45.9843 -92.6785 145.963 -154.117 127.08 PRESSAVG: 3867200 -3.31924 76.8054 7.36662 76.8056 -24.686 -0.971595 7.36653 -0.971611 48.713 GPRESSAVG: 3867200 -2.87809 78.5331 6.5566 74.6405 -24.6122 -1.31716 10.0187 -2.5604 48.6345 TIMING: 3867200 CPU: 11591.2, 0.0030791/step Wall: 11591.2, 0.0030791/step, 0.968889 hours remaining, 206.179688 MB of memory in use. ENERGY: 3867200 730.3877 2136.2845 1917.8720 103.5086 -206580.0663 18091.3354 0.0000 0.0000 34114.5411 -149486.1369 297.9308 -183600.6780 -149387.9217 298.4346 45.2288 75.9120 556723.7183 6.9026 7.0481 PRESSURE: 3867400 134.161 -87.1745 87.627 -87.1749 152.964 -156.698 87.6276 -156.698 -93.2852 GPRESSURE: 3867400 136.671 12.1987 139.155 -153.091 234.581 -161.564 17.2491 -169.159 -74.8453 PRESSAVG: 3867400 20.0004 -19.7077 54.2351 -19.7078 -29.9254 -19.3858 54.2351 -19.3858 -26.9174 GPRESSAVG: 3867400 20.5824 -18.8572 54.6441 -19.938 -30.4189 -17.6822 52.6725 -17.8384 -26.7768 TIMING: 3867400 CPU: 11591.9, 0.00307646/step Wall: 11591.9, 0.00307646/step, 0.967888 hours remaining, 206.179688 MB of memory in use. ENERGY: 3867400 745.2214 2159.8895 1945.0023 101.4367 -206722.4931 18088.6260 0.0000 0.0000 34135.3967 -149546.9206 298.1129 -183682.3173 -149452.6040 298.2680 64.6132 98.8025 556887.1661 -12.2808 -12.2045 PRESSURE: 3867600 5.67261 -161.633 -31.6106 -161.633 -256.127 -21.3873 -31.6108 -21.3871 85.1208 GPRESSURE: 3867600 -3.93792 -189.375 117.01 -122.034 -180.059 -94.6408 -115.886 22.4421 98.2598 PRESSAVG: 3867600 14.6094 -35.2068 -11.0312 -35.2067 56.3483 35.4204 -11.0312 35.4203 -47.5671 GPRESSAVG: 3867600 13.4517 -36.6266 -11.4423 -34.1484 57.0508 35.1098 -8.5136 35.6727 -47.1678 TIMING: 3867600 CPU: 11592.5, 0.00308588/step Wall: 11592.5, 0.00308588/step, 0.970679 hours remaining, 206.179688 MB of memory in use. ENERGY: 3867600 800.3353 2145.4954 1920.5605 103.8963 -206098.7969 17607.1520 0.0000 0.0000 34022.3037 -149499.0537 297.1252 -183521.3574 -149407.2719 298.6727 -55.1113 -28.5792 555751.2528 7.7969 7.7782 PRESSURE: 3867800 -52.173 59.1745 24.4676 59.175 -135.529 1.05134 24.4676 1.0516 -294.123 GPRESSURE: 3867800 -16.7385 -3.87819 -0.507613 -14.9636 -144.114 40.2566 74.0805 -133.613 -225.751 PRESSAVG: 3867800 63.7095 -31.9319 -15.2409 -31.9318 52.879 42.7338 -15.2409 42.7338 -60.9767 GPRESSAVG: 3867800 64.481 -31.2811 -16.9556 -31.5225 53.3847 43.5218 -15.6158 42.5904 -62.0103 TIMING: 3867800 CPU: 11593.1, 0.00306802/step Wall: 11593.1, 0.00306802/step, 0.964892 hours remaining, 206.179688 MB of memory in use. ENERGY: 3867800 721.6367 2118.2265 1937.6182 98.5535 -206306.6508 17654.1332 0.0000 0.0000 34252.5153 -149523.9674 299.1357 -183776.4827 -149425.2013 298.3583 -160.6084 -128.8678 556464.1795 18.5373 18.6185 PRESSURE: 3868000 -155.317 188.437 81.4242 188.438 -96.7032 -114.933 81.4249 -114.933 245.02 GPRESSURE: 3868000 -134.48 143.944 80.8392 200.954 -37.0091 -60.0141 -5.79501 -41.666 255.738 PRESSAVG: 3868000 -56.0383 -9.95709 -32.2306 -9.95705 5.8974 -30.8735 -32.2306 -30.8736 36.0574 GPRESSAVG: 3868000 -56.2518 -10.6623 -28.6215 -10.3644 5.39416 -34.3353 -33.7574 -29.7988 36.8285 TIMING: 3868000 CPU: 11593.7, 0.0030604/step Wall: 11593.7, 0.0030604/step, 0.962327 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: 3868000 748.2304 2144.5554 1903.6459 122.9276 -206250.0249 17769.3997 0.0000 0.0000 34019.6005 -149541.6654 297.1016 -183561.2660 -149445.8958 297.6508 -2.3335 28.0831 556423.2908 -4.6945 -4.6764 PRESSURE: 3868200 -191.135 -72.321 -82.5523 -72.3215 -329.387 -20.6082 -82.5531 -20.6073 -201.041 GPRESSURE: 3868200 -191.066 -64.7792 -57.5197 -87.3145 -270.472 32.3831 -118.567 -73.1527 -168.579 PRESSAVG: 3868200 -37.7981 14.7247 -41.0258 14.7247 19.9539 -22.8646 -41.0258 -22.8645 36.3135 GPRESSAVG: 3868200 -37.1251 16.405 -41.8348 13.9965 20.3216 -20.3871 -41.598 -24.8621 35.2416 TIMING: 3868200 CPU: 11594.3, 0.00306108/step Wall: 11594.3, 0.00306108/step, 0.962369 hours remaining, 206.179688 MB of memory in use. ENERGY: 3868200 752.5815 2117.7277 1900.8545 104.6132 -206171.7462 17502.8797 0.0000 0.0000 34066.2095 -149726.8801 297.5087 -183793.0896 -149624.2544 297.2264 -240.5212 -210.0391 557041.9444 6.1565 6.1460 LDB: ============= START OF LOAD BALANCING ============== 11597.7 LDB: ============== END OF LOAD BALANCING =============== 11597.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11597.7 LDB: ============= START OF LOAD BALANCING ============== 11598.1 LDB: Largest compute 4819 load 0.021873 is 18.5% of average load 0.118131 LDB: Average compute 0.001730 is 1.5% of average load 0.118131 LDB: TIME 11598.1 LOAD: AVG 0.118131 MAX 0.213026 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.996 MB LDB: TIME 11598.1 LOAD: AVG 0.118131 MAX 0.213026 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: TIME 11598.1 LOAD: AVG 0.118131 MAX 0.213026 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.996 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11598.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11598.1 PRESSURE: 3868400 123.49 171.925 -8.92502 171.925 -22.5878 201.173 -8.92505 201.175 -85.2996 GPRESSURE: 3868400 157.726 243.654 -129.189 164.479 -51.894 129.466 42.8205 174.666 -9.16848 PRESSAVG: 3868400 -10.3625 48.5708 31.8257 48.5708 -32.5756 31.009 31.8257 31.0089 29.2703 GPRESSAVG: 3868400 -11.7075 47.6869 32.526 49.6121 -34.1976 31.0488 32.9215 33.9639 31.6287 TIMING: 3868400 CPU: 11594.9, 0.00310388/step Wall: 11594.9, 0.00310388/step, 0.975653 hours remaining, 205.875000 MB of memory in use. ENERGY: 3868400 766.8673 2083.6671 1949.2961 109.3022 -206888.0419 17991.4516 0.0000 0.0000 34221.0241 -149766.4335 298.8607 -183987.4576 -149669.3651 298.4290 5.2010 32.2213 555628.3214 -4.5559 -4.7588 PRESSURE: 3868600 173.697 -16.2722 69.3938 -16.2702 -111.092 -133.979 69.3938 -133.978 -311.442 GPRESSURE: 3868600 227.983 -65.6619 21.8785 -19.1386 -106.071 -141.913 -2.10998 -64.7054 -272.672 PRESSAVG: 3868600 2.50032 71.3381 -12.4712 71.3381 -42.9744 11.3621 -12.4712 11.3621 60.5736 GPRESSAVG: 3868600 3.27751 70.8452 -14.2743 71.854 -42.8695 10.4046 -11.4262 10.2297 59.3233 TIMING: 3868600 CPU: 11595.5, 0.00303144/step Wall: 11595.5, 0.00303144/step, 0.952715 hours remaining, 206.015625 MB of memory in use. ENERGY: 3868600 796.9985 2070.5278 1931.5944 122.8979 -206505.8053 17786.8664 0.0000 0.0000 33917.2909 -149879.6294 296.2081 -183796.9203 -149790.5515 297.4468 -82.9458 -50.2534 556033.8626 6.6998 6.5771 PRESSURE: 3868800 -34.0659 86.1798 23.3264 86.18 8.92824 111.509 23.3272 111.51 54.0235 GPRESSURE: 3868800 -7.41823 111.272 44.9178 62.5753 95.1657 98.0587 10.406 99.7306 31.9912 PRESSAVG: 3868800 11.6584 -7.68132 12.6944 -7.68141 -28.3046 28.8187 12.6944 28.8188 22.7003 GPRESSAVG: 3868800 11.9574 -6.33679 14.2251 -8.53474 -28.8543 28.4634 12.1309 27.745 22.3219 TIMING: 3868800 CPU: 11596.1, 0.00300474/step Wall: 11596.1, 0.00300474/step, 0.944155 hours remaining, 206.015625 MB of memory in use. ENERGY: 3868800 732.7440 2117.4701 1957.6788 101.4146 -206506.5137 17765.8266 0.0000 0.0000 34020.2747 -149811.1049 297.1075 -183831.3796 -149710.1892 297.4016 9.6286 39.9129 557519.7957 2.0180 1.8083 PRESSURE: 3869000 -96.88 150.612 -41.6549 150.612 -251.209 -201.206 -41.6545 -201.207 95.5096 GPRESSURE: 3869000 -37.4433 82.9042 -119.591 155.462 -228.95 -158.021 8.5187 -198.359 110.342 PRESSAVG: 3869000 -32.7695 18.6515 -31.2896 18.6514 19.0321 4.93817 -31.2896 4.93819 -60.8022 GPRESSAVG: 3869000 -34.0413 18.1382 -31.5032 20.5304 19.4733 4.42551 -31.2936 7.23517 -59.7025 TIMING: 3869000 CPU: 11596.7, 0.00302758/step Wall: 11596.7, 0.00302758/step, 0.951164 hours remaining, 206.015625 MB of memory in use. ENERGY: 3869000 717.8987 2108.6853 1950.4591 121.9387 -206163.0578 17576.6595 0.0000 0.0000 34058.7930 -149628.6234 297.4439 -183687.4164 -149531.2522 297.2667 -84.1932 -52.0168 556797.3191 -24.8465 -24.7569 PRESSURE: 3869200 180.951 9.30751 26.8961 9.30659 114.394 78.5114 26.8952 78.5125 -81.6017 GPRESSURE: 3869200 177.263 -33.592 80.9734 21.5042 187.027 67.2265 18.4018 109.765 -43.3797 PRESSAVG: 3869200 8.204 51.9717 -9.40671 51.9718 -75.0349 19.9907 -9.40676 19.9907 46.2074 GPRESSAVG: 3869200 8.57775 51.9121 -9.64739 50.9396 -75.0021 22.0398 -9.84876 17.1629 46.2651 TIMING: 3869200 CPU: 11597.3, 0.00303032/step Wall: 11597.3, 0.00303032/step, 0.951858 hours remaining, 206.015625 MB of memory in use. ENERGY: 3869200 757.0742 2138.6213 1956.8025 120.8957 -206744.5819 18045.0352 0.0000 0.0000 34076.6916 -149649.4615 297.6002 -183726.1531 -149549.2508 297.8568 71.2478 106.9701 558041.4442 -6.8745 -6.7197 PRESSURE: 3869400 178.3 -126.949 22.1721 -126.95 -295.555 -92.7314 22.1719 -92.7334 119.811 GPRESSURE: 3869400 148.947 -107.298 -3.26448 -142.719 -257.737 -21.4494 15.8005 -71.6862 199.676 PRESSAVG: 3869400 -20.2108 -60.4613 36.3893 -60.4612 -24.9169 -18.7438 36.3894 -18.7439 56.7646 GPRESSAVG: 3869400 -19.9837 -58.5376 34.7198 -62.3325 -24.664 -19.8266 35.5853 -17.39 56.173 TIMING: 3869400 CPU: 11598, 0.00303278/step Wall: 11598, 0.00303278/step, 0.952461 hours remaining, 206.015625 MB of memory in use. ENERGY: 3869400 756.7404 2107.7390 1947.5067 108.2911 -206675.6084 17843.2311 0.0000 0.0000 34458.6281 -149453.4720 300.9358 -183912.1000 -149360.9289 298.3989 0.8519 30.2954 556450.4015 3.8790 3.8417 PRESSURE: 3869600 -395.207 60.4958 -17.3146 60.4937 -289.068 140.835 -17.3153 140.834 -33.4904 GPRESSURE: 3869600 -360.285 51.2493 -2.46683 -0.015797 -265.64 161.336 75.1865 113.662 -6.24677 PRESSAVG: 3869600 -5.95469 14.104 43.0864 14.104 -59.0967 -43.3584 43.0864 -43.3584 80.5118 GPRESSAVG: 3869600 -6.46094 10.6196 42.8259 15.5711 -58.4522 -41.1874 44.3382 -44.323 80.8453 TIMING: 3869600 CPU: 11598.6, 0.00301987/step Wall: 11598.6, 0.00301987/step, 0.94824 hours remaining, 206.015625 MB of memory in use. ENERGY: 3869600 770.7772 2121.2882 1936.7272 123.8389 -205914.3562 17504.9224 0.0000 0.0000 34129.0251 -149327.7771 298.0573 -183456.8022 -149226.0766 299.5780 -239.2550 -210.7239 557484.7247 5.1535 5.3107 PRESSURE: 3869800 -77.0344 101.525 -128.72 101.526 -183.369 -84.3614 -128.721 -84.3604 -317.298 GPRESSURE: 3869800 -72.5497 128.902 -166.229 59.7423 -132.074 -58.4417 -58.3897 -100.203 -286.662 PRESSAVG: 3869800 -5.8156 -5.96663 21.0291 -5.96657 -86.2719 29.381 21.0292 29.381 62.8366 GPRESSAVG: 3869800 -4.98138 -2.99908 22.264 -7.53343 -87.0524 27.721 20.7113 28.4921 62.8257 TIMING: 3869800 CPU: 11599.2, 0.00300906/step Wall: 11599.2, 0.00300906/step, 0.944677 hours remaining, 206.015625 MB of memory in use. ENERGY: 3869800 857.7703 2075.3182 1936.5638 125.7915 -206162.5540 17693.0027 0.0000 0.0000 34141.1983 -149332.9092 298.1636 -183474.1075 -149238.1480 298.4585 -192.5671 -163.7622 557407.4979 -9.7503 -9.7360 PRESSURE: 3870000 -114.432 1.63346 -49.0722 1.63364 142.84 124.174 -49.0714 124.174 -6.23371 GPRESSURE: 3870000 -55.5511 -37.6515 -40.9703 9.40829 178.526 84.0769 -29.5409 133.435 3.46293 PRESSAVG: 3870000 -2.21691 -29.3537 -28.1663 -29.3537 51.8843 25.8752 -28.1663 25.8753 22.5018 GPRESSAVG: 3870000 -1.32797 -32.2669 -28.3432 -27.6874 50.8518 25.9268 -27.2806 27.5904 22.7877 TIMING: 3870000 CPU: 11599.8, 0.00303949/step Wall: 11599.8, 0.00303949/step, 0.954061 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: 3870000 780.7836 2109.2936 1967.4712 104.3780 -206549.1620 17911.7803 0.0000 0.0000 34061.1923 -149614.2630 297.4649 -183675.4553 -149519.1215 298.5675 7.3913 42.1459 556213.4738 24.0564 24.1039 PRESSURE: 3870200 -76.0465 118.635 -48.9106 118.635 12.5865 -206.083 -48.9096 -206.082 -237.734 GPRESSURE: 3870200 -50.8033 216.986 -28.8333 63.1064 -1.8035 -165.823 -122.885 -95.9469 -152.882 PRESSAVG: 3870200 -11.1356 -26.0863 -14.6614 -26.0863 47.6998 22.2426 -14.6614 22.2426 42.2829 GPRESSAVG: 3870200 -11.452 -25.1339 -14.9546 -25.2379 47.4548 21.6157 -16.1411 22.0164 41.8365 TIMING: 3870200 CPU: 11600.4, 0.00304747/step Wall: 11600.4, 0.00304747/step, 0.956396 hours remaining, 206.015625 MB of memory in use. ENERGY: 3870200 741.7178 2144.4598 1949.4330 116.1374 -206491.1896 17714.5518 0.0000 0.0000 34009.6573 -149815.2325 297.0148 -183824.8898 -149719.1879 298.1899 -100.3979 -68.4964 555737.6136 26.2823 25.9464 PRESSURE: 3870400 -216.191 -84.289 -8.85062 -84.2886 32.789 -95.0086 -8.84878 -95.0108 19.3981 GPRESSURE: 3870400 -170.976 -109.295 12.9191 -67.2918 72.1254 -62.4447 -34.5177 -142.89 40.7274 PRESSAVG: 3870400 -18.0847 -23.8557 11.0907 -23.8558 109.594 -3.02537 11.0907 -3.02545 -64.9326 GPRESSAVG: 3870400 -18.2046 -23.6144 12.6113 -25.5687 111.277 -1.09823 12.9038 -4.09966 -65.8053 TIMING: 3870400 CPU: 11601, 0.00304183/step Wall: 11601, 0.00304183/step, 0.954458 hours remaining, 206.148438 MB of memory in use. ENERGY: 3870400 747.5821 2113.0910 1918.2077 124.4680 -206476.5015 17717.8290 0.0000 0.0000 34174.4202 -149680.9034 298.4537 -183855.3236 -149577.4229 297.7471 -54.6680 -19.3744 556620.1308 8.8589 9.0889 PRESSURE: 3870600 -125.947 138.804 191.636 138.806 -47.9187 92.5132 191.637 92.5122 -115.54 GPRESSURE: 3870600 -106.117 141.506 129.194 131.946 -65.6191 105.743 332.668 144.477 -30.0372 PRESSAVG: 3870600 11.6749 25.9904 30.6982 25.9904 43.6691 30.5364 30.6982 30.5364 -72.0292 GPRESSAVG: 3870600 11.466 26.6757 29.8281 26.3095 44.1181 28.0143 28.3061 31.0983 -71.5864 TIMING: 3870600 CPU: 11601.6, 0.00308633/step Wall: 11601.6, 0.00308633/step, 0.96825 hours remaining, 206.148438 MB of memory in use. ENERGY: 3870600 738.9732 2075.6654 1951.5176 115.8811 -206186.7821 17730.8568 0.0000 0.0000 34048.0263 -149525.8617 297.3499 -183573.8880 -149422.1749 297.8081 -96.4687 -67.2577 558028.1877 -5.5617 -5.3341 PRESSURE: 3870800 -94.7914 -76.8558 168.46 -76.8561 -130.922 -18.2302 168.459 -18.2303 238.988 GPRESSURE: 3870800 -35.8795 -19.3873 221.94 -34.8081 -124.91 -31.6583 113.646 3.25826 270.295 PRESSAVG: 3870800 52.0242 10.7178 45.7875 10.7178 -8.70334 -2.69576 45.7875 -2.69583 -28.9089 GPRESSAVG: 3870800 52.7761 9.13887 46.8681 12.5667 -8.64188 1.13233 46.9432 -2.43972 -29.9194 TIMING: 3870800 CPU: 11602.2, 0.00310068/step Wall: 11602.2, 0.00310068/step, 0.972579 hours remaining, 206.148438 MB of memory in use. ENERGY: 3870800 750.0554 2104.5379 1948.6221 118.0431 -206665.7495 18055.6020 0.0000 0.0000 34216.4541 -149472.4348 298.8208 -183688.8889 -149377.2438 298.7344 4.4246 36.5020 559141.9081 4.8040 4.7383 PRESSURE: 3871000 -154.935 -73.0197 -264.767 -73.02 -146.216 42.7924 -264.765 42.7922 -275.609 GPRESSURE: 3871000 -89.4743 -88.5298 -333.553 -98.625 -193.145 -29.4132 -231.195 87.503 -200.328 PRESSAVG: 3871000 73.478 19.1748 -3.92556 19.1749 -23.128 -10.2799 -3.92557 -10.2801 -5.76204 GPRESSAVG: 3871000 73.9632 19.1464 -4.95353 18.4435 -22.9313 -14.1705 -5.18081 -8.4982 -6.83641 TIMING: 3871000 CPU: 11602.8, 0.00306734/step Wall: 11602.8, 0.00306734/step, 0.961951 hours remaining, 206.148438 MB of memory in use. ENERGY: 3871000 758.4928 2091.5557 1919.6895 125.6542 -206280.3823 17736.5253 0.0000 0.0000 34055.6341 -149592.8308 297.4163 -183648.4649 -149489.0349 297.8216 -192.2531 -160.9826 558463.4459 14.8627 14.7318 PRESSURE: 3871200 75.7643 30.5142 -101.639 30.5155 -40.1689 -143.062 -101.64 -143.063 -108.247 GPRESSURE: 3871200 80.0744 13.2 -48.985 -21.0711 -11.665 -143.628 -134.268 -117.583 -42.8874 PRESSAVG: 3871200 -4.56491 37.0028 34.0556 37.0026 -6.76333 -59.4956 34.0556 -59.4956 -15.4224 GPRESSAVG: 3871200 -6.32909 39.8994 35.4604 35.3677 -6.92859 -58.1661 34.0334 -61.6351 -12.8115 TIMING: 3871200 CPU: 11603.4, 0.00304882/step Wall: 11603.4, 0.00304882/step, 0.955973 hours remaining, 206.148438 MB of memory in use. ENERGY: 3871200 723.0410 2078.8316 1966.5449 126.1611 -205972.8342 17638.1659 0.0000 0.0000 34052.8140 -149387.2757 297.3917 -183440.0897 -149296.2683 297.7550 -24.2172 8.5073 557714.3833 -8.9169 -8.6897 PRESSURE: 3871400 -148.686 15.0859 7.85817 15.0867 -88.8699 -145.226 7.85889 -145.225 -55.4367 GPRESSURE: 3871400 -100.841 -34.9488 -11.0351 -96.1193 -73.9178 -165.967 23.272 -86.3587 -33.3189 PRESSAVG: 3871400 -22.6024 -55.6081 -73.8515 -55.6081 -36.896 -17.9643 -73.8514 -17.9641 58.688 GPRESSAVG: 3871400 -22.9153 -54.2935 -75.2089 -54.8818 -35.9922 -20.2725 -72.0169 -15.2581 58.6917 TIMING: 3871400 CPU: 11604.1, 0.00304375/step Wall: 11604.1, 0.00304375/step, 0.954214 hours remaining, 206.148438 MB of memory in use. ENERGY: 3871400 752.1728 2104.2283 1949.8170 113.2735 -206269.8343 17694.3629 0.0000 0.0000 34198.4771 -149457.5027 298.6638 -183655.9799 -149360.6713 298.8774 -97.6644 -69.3592 557399.4969 -0.2701 -0.0719 PRESSURE: 3871600 -101.429 -11.6499 5.65761 -11.6489 -139.343 49.1607 5.6583 49.1604 -319.622 GPRESSURE: 3871600 -157.584 -55.7876 -11.5163 86.7757 -106.174 78.4349 6.10954 4.59883 -206.073 PRESSAVG: 3871600 20.4863 -9.76005 26.1853 -9.75996 -4.96046 6.32529 26.1853 6.32529 -24.8028 GPRESSAVG: 3871600 21.7282 -12.1593 26.561 -10.9801 -5.77782 9.02444 27.0241 3.2861 -24.8944 TIMING: 3871600 CPU: 11604.7, 0.00303702/step Wall: 11604.7, 0.00303702/step, 0.951937 hours remaining, 206.148438 MB of memory in use. ENERGY: 3871600 786.1341 2113.4433 1946.8931 111.7577 -206124.7020 17639.4573 0.0000 0.0000 34199.1280 -149327.8886 298.6695 -183527.0166 -149234.7268 298.6765 -186.7979 -156.6102 558550.2844 -3.0923 -2.9813 PRESSURE: 3871800 34.6075 34.3773 31.134 34.3775 102.83 24.8268 31.1339 24.8284 18.5956 GPRESSURE: 3871800 77.4629 33.5883 32.3049 -4.31113 154.28 60.0993 14.7445 67.1515 30.7709 PRESSAVG: 3871800 -85.5612 -27.3042 15.2459 -27.3042 52.4885 19.5574 15.2459 19.5574 35.9986 GPRESSAVG: 3871800 -84.064 -28.1764 13.699 -24.759 52.0655 18.9459 14.1624 18.8524 34.3755 TIMING: 3871800 CPU: 11605.3, 0.00304967/step Wall: 11605.3, 0.00304967/step, 0.955732 hours remaining, 206.148438 MB of memory in use. ENERGY: 3871800 757.0592 2104.0146 1951.5284 114.3955 -206488.1822 18006.1028 0.0000 0.0000 34145.7768 -149409.3049 298.2036 -183555.0817 -149312.5612 298.9604 52.0111 87.5045 557648.8038 0.9753 0.7923 PRESSURE: 3872000 210.993 -35.3578 -32.7589 -35.3574 -164.988 14.9806 -32.7595 14.9807 105.706 GPRESSURE: 3872000 197.382 -85.2181 -37.4836 8.03283 -76.0353 123.177 8.67165 -72.8248 127.084 PRESSAVG: 3872000 18.1551 -67.5264 -33.2006 -67.5264 -19.6669 10.7454 -33.2005 10.7454 -6.33096 GPRESSAVG: 3872000 16.5524 -68.3444 -31.3545 -67.8281 -19.0624 8.91352 -32.7466 13.7749 -4.80796 TIMING: 3872000 CPU: 11605.9, 0.00302839/step Wall: 11605.9, 0.00302839/step, 0.948894 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: 3872000 745.0372 2104.9811 1930.7245 111.4305 -206427.5632 17947.5287 0.0000 0.0000 34123.8798 -149463.9815 298.0123 -183587.8613 -149369.1598 298.3820 50.5705 82.8101 558729.2053 -2.6143 -2.4393 PRESSURE: 3872200 -91.6816 -62.6294 6.59733 -62.6286 -60.3294 -85.5665 6.5972 -85.5659 -197.036 GPRESSURE: 3872200 -106.014 -45.9435 -4.20149 -13.2095 -7.89296 -60.0044 19.5356 -96.3433 -143.363 PRESSAVG: 3872200 -57.6793 -57.5253 0.409155 -57.5253 18.6107 -38.1906 0.409084 -38.1906 36.0823 GPRESSAVG: 3872200 -56.5217 -55.8861 0.20138 -57.0916 18.0519 -38.0889 -0.7318 -38.5918 35.314 TIMING: 3872200 CPU: 11606.5, 0.00306161/step Wall: 11606.5, 0.00306161/step, 0.959134 hours remaining, 206.148438 MB of memory in use. ENERGY: 3872200 740.0325 2116.8082 1930.3222 114.8839 -206044.7328 17635.5961 0.0000 0.0000 34271.9587 -149235.1312 299.3055 -183507.0898 -149138.6581 298.4123 -116.3491 -85.7568 558640.1460 -0.9954 -1.0519 LDB: ============= START OF LOAD BALANCING ============== 11609.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11609.9 LDB: =============== DONE WITH MIGRATION ================ 11609.9 LDB: ============= START OF LOAD BALANCING ============== 11610.2 LDB: Largest compute 4819 load 0.021497 is 18.2% of average load 0.118162 LDB: Average compute 0.001723 is 1.5% of average load 0.118162 LDB: TIME 11610.2 LOAD: AVG 0.118162 MAX 0.215647 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.879 MB LDB: TIME 11610.2 LOAD: AVG 0.118162 MAX 0.215647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.879 MB LDB: TIME 11610.2 LOAD: AVG 0.118162 MAX 0.215647 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.879 MB LDB: ============== END OF LOAD BALANCING =============== 11610.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11610.2 PRESSURE: 3872400 144.954 78.8215 9.76273 78.8211 301.522 -149.43 9.76339 -149.43 128.36 GPRESSURE: 3872400 155.3 120.016 12.8838 115.03 333.26 -162.741 -47.6066 -58.0851 189.29 PRESSAVG: 3872400 -60.6308 -39.3006 23.6251 -39.3007 37.0922 9.01003 23.6251 9.00983 -12.6892 GPRESSAVG: 3872400 -61.0628 -38.8913 24.2125 -41.4192 36.9418 10.6753 22.4885 8.99755 -12.2952 TIMING: 3872400 CPU: 11607.1, 0.00308622/step Wall: 11607.1, 0.00308622/step, 0.966674 hours remaining, 206.187500 MB of memory in use. ENERGY: 3872400 739.2364 2074.4331 1968.3933 125.2813 -206317.5637 18052.1363 0.0000 0.0000 34162.9401 -149195.1433 298.3535 -183358.0834 -149097.6083 299.5504 191.6122 225.9500 557228.4017 -12.0759 -12.1387 PRESSURE: 3872600 -3.65891 -25.7566 -4.28579 -25.7578 -191.016 56.1824 -4.28655 56.1835 -163.349 GPRESSURE: 3872600 35.9423 -37.0438 10.878 -55.0641 -176.422 -27.6181 -124.886 63.8699 -137.053 PRESSAVG: 3872600 -7.28005 16.7767 -22.1137 16.7766 -42.6106 -31.6688 -22.1138 -31.6689 75.5878 GPRESSAVG: 3872600 -7.36655 14.8447 -22.3711 16.8966 -42.1195 -31.7985 -22.6905 -32.2401 75.1206 TIMING: 3872600 CPU: 11607.7, 0.00304686/step Wall: 11607.7, 0.00304686/step, 0.954176 hours remaining, 206.187500 MB of memory in use. ENERGY: 3872600 785.3984 2138.6033 1977.9910 102.1372 -206071.0257 17654.4484 0.0000 0.0000 34354.4465 -149058.0009 300.0259 -183412.4474 -148954.4239 299.1110 -119.3413 -92.5110 557755.8719 8.5657 8.5449 PRESSURE: 3872800 -140.723 -48.7821 -43.7659 -48.7816 60.841 -41.2645 -43.7645 -41.2638 -94.8179 GPRESSURE: 3872800 -95.5463 -147.306 -57.7773 -21.0257 71.9355 -3.91122 -15.863 -42.9877 -49.6895 PRESSAVG: 3872800 37.0116 33.8269 84.778 33.8269 4.64664 -4.83468 84.778 -4.83475 -14.4014 GPRESSAVG: 3872800 37.0079 34.6893 86.349 34.5515 3.87449 -2.70723 85.5093 -7.18242 -14.2875 TIMING: 3872800 CPU: 11608.3, 0.00303818/step Wall: 11608.3, 0.00303818/step, 0.951288 hours remaining, 206.187500 MB of memory in use. ENERGY: 3872800 719.8011 2135.8951 1943.7448 130.9686 -205853.6549 17707.8026 0.0000 0.0000 34237.9327 -148977.5099 299.0084 -183215.4426 -148876.9885 300.3029 -58.2335 -24.4334 558558.3634 9.0856 8.8650 PRESSURE: 3873000 -105.992 -5.36479 240.372 -5.36376 -368.024 -145.221 240.372 -145.219 189.791 GPRESSURE: 3873000 -82.9388 85.9259 164.295 -30.5592 -287.888 -138.681 308.538 -44.4304 181.646 PRESSAVG: 3873000 7.62892 37.2465 -0.926502 37.2465 10.3329 4.04015 -0.926533 4.04005 5.33735 GPRESSAVG: 3873000 7.40072 37.6432 -3.46401 37.3903 10.0735 1.58778 -0.0484916 7.50932 5.99513 TIMING: 3873000 CPU: 11608.9, 0.00302199/step Wall: 11608.9, 0.00302199/step, 0.946052 hours remaining, 206.187500 MB of memory in use. ENERGY: 3873000 776.1287 2127.4554 1944.3306 111.8939 -206046.0409 17657.2505 0.0000 0.0000 34448.7939 -148980.1879 300.8499 -183428.9818 -148891.6438 299.7431 -94.7417 -63.0602 557502.0000 7.7664 7.8231 PRESSURE: 3873200 -288.847 -94.397 17.0918 -94.3965 -120.78 45.2437 17.0917 45.2427 -208.473 GPRESSURE: 3873200 -254.916 -62.1229 90.1999 -94.2712 -158.817 113.949 -33.9141 89.8552 -104.666 PRESSAVG: 3873200 -42.107 -28.6417 -19.923 -28.6417 -32.8973 -23.3803 -19.9229 -23.3803 74.4427 GPRESSAVG: 3873200 -41.8383 -28.35 -17.9832 -29.7716 -32.2119 -21.6859 -21.248 -23.2394 73.7556 TIMING: 3873200 CPU: 11609.5, 0.00303016/step Wall: 11609.5, 0.00303016/step, 0.948441 hours remaining, 206.187500 MB of memory in use. ENERGY: 3873200 784.7897 2091.4095 1934.1325 123.3551 -205953.6711 17583.4902 0.0000 0.0000 34503.1662 -148933.3278 301.3247 -183436.4940 -148840.8187 299.9683 -206.0335 -172.7999 556942.9027 -0.1872 -0.0982 PRESSURE: 3873400 -237.026 -70.725 -87.7571 -70.725 -178.778 44.5546 -87.7574 44.5547 -188.418 GPRESSURE: 3873400 -223.108 -70.0888 -55.3559 -79.4116 -84.2924 129.886 -136.191 -18.9589 -210.07 PRESSAVG: 3873400 -61.4888 -41.463 6.64802 -41.4631 11.8493 -49.1864 6.64798 -49.1864 50.9553 GPRESSAVG: 3873400 -61.2342 -43.384 7.76615 -39.4379 11.7192 -48.5725 6.92705 -52.1696 50.7962 TIMING: 3873400 CPU: 11610.1, 0.00302869/step Wall: 11610.1, 0.00302869/step, 0.947811 hours remaining, 206.187500 MB of memory in use. ENERGY: 3873400 717.1034 2087.3057 1922.7274 112.4983 -205601.7932 17602.8237 0.0000 0.0000 34120.0156 -149039.3190 297.9786 -183159.3346 -148941.2985 300.3891 -201.4072 -172.4902 558833.1619 0.4386 0.4271 PRESSURE: 3873600 98.6111 34.7658 -156.127 34.7667 421.746 -53.9719 -156.127 -53.9713 287.931 GPRESSURE: 3873600 143.503 107.604 -147.287 22.7147 469.104 -38.311 -92.5696 -155.172 298.835 PRESSAVG: 3873600 -24.2384 -12.0858 5.52041 -12.0856 59.0404 -23.8246 5.5204 -23.8246 -49.6424 GPRESSAVG: 3873600 -24.1162 -9.51797 4.61837 -14.6121 58.5552 -21.9293 6.79619 -24.9073 -49.3249 TIMING: 3873600 CPU: 11610.7, 0.00302935/step Wall: 11610.7, 0.00302935/step, 0.94785 hours remaining, 206.187500 MB of memory in use. ENERGY: 3873600 668.1707 2173.9617 1928.5442 117.8910 -206529.9681 18167.0432 0.0000 0.0000 34403.8216 -149070.5357 300.4571 -183474.3573 -148974.8875 299.9757 269.4295 303.8138 558190.3214 -4.9468 -4.9620 PRESSURE: 3873800 -39.5994 163.554 -79.1629 163.555 188.346 60.681 -79.1636 60.6823 -3.64361 GPRESSURE: 3873800 7.28152 105.63 -1.30886 234.069 172.27 48.2171 -45.6721 16.7967 63.3621 PRESSAVG: 3873800 16.7532 24.5099 -56.487 24.5099 13.1137 16.5221 -56.487 16.5222 -23.8339 GPRESSAVG: 3873800 17.2225 23.9407 -57.3192 24.9602 14.2777 11.6564 -56.7182 22.6822 -24.915 TIMING: 3873800 CPU: 11611.4, 0.00301715/step Wall: 11611.4, 0.00301715/step, 0.943865 hours remaining, 206.187500 MB of memory in use. ENERGY: 3873800 712.5818 2106.2698 1932.0089 119.9687 -206325.5031 17932.6937 0.0000 0.0000 34457.4999 -149064.4803 300.9259 -183521.9802 -148965.3838 300.4585 48.3677 80.9712 558257.1529 2.0110 2.1951 PRESSURE: 3874000 -200.132 -137.275 -261.578 -137.275 36.8616 -125.453 -261.577 -125.451 -93.1749 GPRESSURE: 3874000 -135.695 -127.258 -325.853 -139.193 22.982 -82.2724 -251.455 -78.3392 -48.2866 PRESSAVG: 3874000 -51.9901 0.752775 -44.9844 0.752884 21.1327 -4.34363 -44.9844 -4.34363 36.9419 GPRESSAVG: 3874000 -51.6934 0.628645 -45.2146 0.878518 20.0006 -3.87507 -45.8255 -7.31074 37.3819 TIMING: 3874000 CPU: 11612, 0.00302067/step Wall: 11612, 0.00302067/step, 0.944798 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: 3874000 746.9344 2139.0035 1937.4881 117.4406 -205748.7209 17489.6123 0.0000 0.0000 34409.5850 -148908.6570 300.5075 -183318.2420 -148812.2662 300.8658 -85.4818 -53.6666 557145.7348 2.0282 1.8964 PRESSURE: 3874200 -112.587 -49.7077 -15.7498 -49.7071 -65.4979 62.583 -15.7488 62.5818 215.948 GPRESSURE: 3874200 -26.8037 -35.7515 -15.1714 -122.543 -18.4236 70.2983 25.4351 -52.9294 186.651 PRESSAVG: 3874200 -23.0471 -49.9252 -21.1709 -49.9253 59.2384 -47.08 -21.1709 -47.0799 -40.8948 GPRESSAVG: 3874200 -24.4926 -52.33 -21.8813 -48.4016 59.668 -46.4599 -20.57 -47.715 -40.1536 TIMING: 3874200 CPU: 11612.6, 0.00302415/step Wall: 11612.6, 0.00302414/step, 0.945717 hours remaining, 206.187500 MB of memory in use. ENERGY: 3874200 708.6725 2081.2473 1936.2669 128.3813 -205749.8727 17543.6155 0.0000 0.0000 34338.9688 -149012.7205 299.8908 -183351.6892 -148911.7479 299.9348 12.6210 47.1413 556433.7192 -1.5678 -1.6594 PRESSURE: 3874400 58.1986 53.8043 3.7926 53.805 128.651 -52.2181 3.793 -52.2171 29.5777 GPRESSURE: 3874400 79.0257 57.6968 -29.0901 83.3819 112.405 -117.234 55.172 -50.3497 122.184 PRESSAVG: 3874400 7.59163 8.44439 36.7154 8.44437 9.09817 2.40965 36.7155 2.40958 -19.3797 GPRESSAVG: 3874400 7.68574 10.2157 35.9888 9.18585 9.92069 3.3653 37.4332 1.9635 -21.1532 TIMING: 3874400 CPU: 11613.2, 0.00302973/step Wall: 11613.2, 0.00302973/step, 0.947295 hours remaining, 206.187500 MB of memory in use. ENERGY: 3874400 765.1503 2137.6317 1949.9005 107.6682 -205903.3571 17866.0553 0.0000 0.0000 34127.0284 -148949.9228 298.0398 -183076.9511 -148858.3615 300.1167 72.1425 104.5383 557395.9351 -0.8966 -1.1823 PRESSURE: 3874600 23.9312 65.4858 -78.235 65.4856 -243.228 256.246 -78.2357 256.246 -4.29449 GPRESSURE: 3874600 50.358 30.6991 -98.1516 67.5177 -128.324 213.927 -67.0797 311.679 -52.8117 PRESSAVG: 3874600 26.71 45.6933 -2.20474 45.6932 3.04331 -0.890099 -2.20472 -0.890264 -65.1116 GPRESSAVG: 3874600 26.1145 45.1121 -0.800907 44.2938 2.22434 -1.53664 -3.0428 -0.238282 -64.1156 TIMING: 3874600 CPU: 11613.8, 0.00304568/step Wall: 11613.8, 0.00304568/step, 0.952114 hours remaining, 206.187500 MB of memory in use. ENERGY: 3874600 706.5382 2120.5601 1981.1354 107.3587 -205972.0378 17587.6651 0.0000 0.0000 34211.8170 -149256.9631 298.7803 -183468.7802 -149156.2812 299.4185 -74.5304 -43.5925 555818.0890 -11.7861 -11.9256 PRESSURE: 3874800 131.877 -25.9587 -52.6697 -25.959 36.366 3.62776 -52.67 3.62753 -19.55 GPRESSURE: 3874800 234.083 -73.9581 -3.36215 -63.652 -14.3547 69.6784 -53.5729 6.22897 18.743 PRESSAVG: 3874800 94.4775 -43.7091 -11.0685 -43.7089 -4.02771 -70.9364 -11.0685 -70.9363 -21.4618 GPRESSAVG: 3874800 95.072 -43.2328 -12.974 -44.0173 -4.18005 -71.673 -11.0332 -69.7932 -21.395 TIMING: 3874800 CPU: 11614.4, 0.00300977/step Wall: 11614.4, 0.00300977/step, 0.940721 hours remaining, 206.187500 MB of memory in use. ENERGY: 3874800 741.0639 2075.7945 1951.7763 107.8609 -206498.0751 17990.3492 0.0000 0.0000 34333.8749 -149297.3554 299.8463 -183631.2302 -149204.7547 298.6760 49.5643 79.4906 557121.0168 22.9960 23.1657 PRESSURE: 3875000 -27.4122 -4.59133 129.377 -4.59145 2.08872 -102.531 129.377 -102.531 285.867 GPRESSURE: 3875000 -34.4599 -2.97483 158.95 30.7644 47.2791 -127.774 68.5983 -25.3032 336.64 PRESSAVG: 3875000 49.8978 -6.43954 5.94411 -6.43946 13.8637 9.67799 5.94407 9.67786 -53.0845 GPRESSAVG: 3875000 50.3872 -5.89646 9.44636 -4.92202 13.3135 9.48756 5.82817 8.61924 -52.7069 TIMING: 3875000 CPU: 11615, 0.00303982/step Wall: 11615, 0.00303982/step, 0.949943 hours remaining, 206.187500 MB of memory in use. ENERGY: 3875000 749.5433 2100.3584 1935.8844 127.7677 -206297.0260 17771.6018 0.0000 0.0000 34346.2704 -149265.6001 299.9545 -183611.8705 -149174.9457 299.3434 86.8480 116.4863 555491.0795 3.5590 3.6646 PRESSURE: 3875200 -331.895 -32.7443 104.278 -32.7436 -261.11 -101.309 104.277 -101.312 -288.591 GPRESSURE: 3875200 -287.862 -107.925 122.862 11.9819 -280.534 -52.8565 67.5615 -138.945 -216.103 PRESSAVG: 3875200 -13.5297 -24.3493 -4.41208 -24.3493 -20.0413 34.4053 -4.41209 34.4054 10.8192 GPRESSAVG: 3875200 -14.5266 -25.457 -7.5859 -25.9836 -20.0263 36.3506 -4.27241 35.2548 11.3578 TIMING: 3875200 CPU: 11615.6, 0.0030594/step Wall: 11615.6, 0.0030594/step, 0.955894 hours remaining, 206.187500 MB of memory in use. ENERGY: 3875200 772.2037 2121.4708 1951.6846 116.5203 -205723.0701 17408.9366 0.0000 0.0000 34186.3078 -149165.9464 298.5575 -183352.2542 -149065.2398 299.2113 -293.8655 -261.4996 558116.7437 -7.5840 -7.7317 PRESSURE: 3875400 -221.547 31.4637 47.2772 31.4645 -39.6566 -53.9946 47.2777 -53.9947 -0.256213 GPRESSURE: 3875400 -206.134 73.4888 91.2794 28.6664 -33.2225 -133.083 79.411 -70.8746 62.948 PRESSAVG: 3875400 11.2269 -22.9315 29.7678 -22.9315 41.6079 -29.5581 29.7677 -29.5581 -42.4254 GPRESSAVG: 3875400 12.4935 -21.1861 30.9638 -22.548 41.1967 -30.2452 28.7019 -30.3193 -43.6046 TIMING: 3875400 CPU: 11616.2, 0.00302588/step Wall: 11616.2, 0.00302588/step, 0.945252 hours remaining, 206.187500 MB of memory in use. ENERGY: 3875400 751.3665 2099.7894 1938.6754 118.1060 -205947.8981 17529.0772 0.0000 0.0000 34372.2312 -149138.6524 300.1812 -183510.8836 -149046.4858 299.3878 -87.1533 -58.8027 556841.6977 3.4698 3.3619 PRESSURE: 3875600 -101.048 -115.023 159.051 -115.024 134.74 -38.4264 159.05 -38.4269 21.4984 GPRESSURE: 3875600 -46.6714 -57.8618 129.127 -49.4956 143.512 -72.8654 90.2987 11.4705 36.6213 PRESSAVG: 3875600 -82.4482 60.2658 46.8221 60.2658 22.378 -15.5836 46.8222 -15.5838 40.1039 GPRESSAVG: 3875600 -83.1543 57.2525 47.9739 61.4947 22.553 -14.4313 47.5412 -14.9423 40.2053 TIMING: 3875600 CPU: 11616.8, 0.00303352/step Wall: 11616.8, 0.00303352/step, 0.947468 hours remaining, 206.187500 MB of memory in use. ENERGY: 3875600 750.8843 2112.3697 1955.5893 128.9078 -206312.7708 17786.7408 0.0000 0.0000 34474.7549 -149103.5239 301.0766 -183578.2789 -149006.5361 300.2438 18.3967 44.4872 557146.1164 -6.6554 -6.7987 PRESSURE: 3875800 200.094 42.5648 -19.7885 42.5656 -191.951 -47.3692 -19.7874 -47.3696 122.087 GPRESSURE: 3875800 272.444 -14.4209 2.72392 93.3809 -147.719 94.4904 -27.4614 -146.464 99.4049 PRESSAVG: 3875800 0.976311 45.7083 -13.1402 45.7083 -13.1591 -11.7387 -13.1402 -11.7387 34.9162 GPRESSAVG: 3875800 1.71209 49.1577 -15.0914 43.9786 -12.1458 -13.502 -12.8352 -12.4131 33.7682 TIMING: 3875800 CPU: 11617.4, 0.00304003/step Wall: 11617.4, 0.00304003/step, 0.949334 hours remaining, 206.187500 MB of memory in use. ENERGY: 3875800 764.6377 2090.7684 1939.8426 116.3624 -206201.9244 17901.6169 0.0000 0.0000 34152.1504 -149236.5459 298.2592 -183388.6964 -149139.4512 299.7587 43.4100 74.7099 557384.4170 7.5778 7.7782 PRESSURE: 3876000 237.155 100.624 85.7508 100.624 179.51 -10.4639 85.751 -10.4621 136.808 GPRESSURE: 3876000 254.737 85.613 -14.3466 111.119 216.023 -23.1326 91.9763 -36.9675 169.891 PRESSAVG: 3876000 -4.935 4.84582 1.10622 4.84581 1.78489 -31.5288 1.10617 -31.5288 -2.30934 GPRESSAVG: 3876000 -5.07318 1.86917 2.53947 6.5836 1.23781 -31.8655 -0.349249 -31.253 -1.68738 TIMING: 3876000 CPU: 11618, 0.00309132/step Wall: 11618, 0.00309132/step, 0.965178 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: 3876000 759.6090 2111.0287 1969.4984 120.4102 -206620.1915 18196.5367 0.0000 0.0000 34236.7079 -149226.4007 298.9977 -183463.1086 -149127.6396 299.3517 184.4909 213.5505 557925.5347 -1.8198 -1.8409 PRESSURE: 3876200 -232.691 -42.8869 47.9439 -42.8863 5.60345 36.668 47.9439 36.6682 -13.5397 GPRESSURE: 3876200 -209.235 -0.24384 7.24235 -125.12 5.09023 80.2129 78.1248 -2.00428 55.8815 PRESSAVG: 3876200 -44.817 -19.3644 24.03 -19.3643 -4.02164 14.5347 24.0299 14.5347 46.5083 GPRESSAVG: 3876200 -44.6562 -15.944 24.8612 -22.3744 -4.93077 16.2867 23.2897 14.2131 47.2785 TIMING: 3876200 CPU: 11618.6, 0.00305965/step Wall: 11618.6, 0.00305965/step, 0.95512 hours remaining, 206.187500 MB of memory in use. ENERGY: 3876200 725.0013 2113.3876 1962.1487 125.0577 -206191.1255 17779.0581 0.0000 0.0000 34358.5972 -149127.8748 300.0622 -183486.4720 -149037.5127 299.0451 -80.2090 -49.4211 558704.7547 -0.7768 -0.7695 LDB: ============= START OF LOAD BALANCING ============== 11622.1 LDB: ============== END OF LOAD BALANCING =============== 11622.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11622.1 LDB: ============= START OF LOAD BALANCING ============== 11622.4 LDB: Largest compute 4820 load 0.021572 is 18.3% of average load 0.118096 LDB: Average compute 0.001723 is 1.5% of average load 0.118096 LDB: TIME 11622.4 LOAD: AVG 0.118096 MAX 0.214984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.641 MB LDB: TIME 11622.4 LOAD: AVG 0.118096 MAX 0.214984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: TIME 11622.4 LOAD: AVG 0.118096 MAX 0.214984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.711 MB LDB: ============== END OF LOAD BALANCING =============== 11622.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11622.4 PRESSURE: 3876400 -242.234 -6.35672 -89.6841 -6.35692 -124.215 75.4309 -89.6837 75.4317 -129.283 GPRESSURE: 3876400 -183.601 35.8428 -100.661 -17.2209 -122.099 112.445 -100.729 119.579 -79.1704 PRESSAVG: 3876400 -17.8616 -26.834 -26.8028 -26.834 54.4762 21.4639 -26.8028 21.4638 -2.27319 GPRESSAVG: 3876400 -16.9102 -29.8347 -27.3081 -25.6565 54.4422 21.0363 -25.6766 22.3444 -2.48216 TIMING: 3876400 CPU: 11619.3, 0.00312026/step Wall: 11619.3, 0.00312026/step, 0.973868 hours remaining, 206.328125 MB of memory in use. ENERGY: 3876400 742.1536 2073.4135 1968.0132 116.6611 -206105.7594 17584.8886 0.0000 0.0000 34414.6681 -149205.9613 300.5519 -183620.6295 -149108.4166 299.5665 -165.2442 -128.2900 557900.7007 11.4472 11.6833 PRESSURE: 3876600 -485.567 -109.684 19.8866 -109.685 -68.5972 7.59418 19.8857 7.59495 70.3744 GPRESSURE: 3876600 -404.936 -107.296 34.6661 -132.194 -69.6098 10.4581 -58.632 37.8234 88.3589 PRESSAVG: 3876600 -102.059 -57.112 41.8914 -57.112 97.1869 9.06658 41.8913 9.06655 -9.00481 GPRESSAVG: 3876600 -103.683 -56.5913 41.9693 -56.488 97.573 8.62537 43.0685 6.96444 -8.03144 TIMING: 3876600 CPU: 11619.9, 0.00302942/step Wall: 11619.9, 0.00302942/step, 0.945346 hours remaining, 206.328125 MB of memory in use. ENERGY: 3876600 736.3368 2087.6732 1936.9671 114.7301 -205941.1893 17517.4680 0.0000 0.0000 34254.1245 -149293.8898 299.1498 -183548.0143 -149193.6420 299.0858 -161.2634 -128.7290 557077.0794 -4.6255 -4.7138 PRESSURE: 3876800 67.2317 -6.34289 -14.3008 -6.34234 -141.848 220.995 -14.3016 220.994 -77.5945 GPRESSURE: 3876800 116.654 39.8082 -47.9017 0.669057 -107.678 125.141 -35.245 257.502 -71.0924 PRESSAVG: 3876800 22.1756 -11.1122 -4.40039 -11.1123 44.0762 -32.1271 -4.40033 -32.1272 -6.2806 GPRESSAVG: 3876800 23.5449 -11.7233 -5.31034 -10.7436 42.5444 -31.4029 -6.15976 -32.1565 -6.20008 TIMING: 3876800 CPU: 11620.5, 0.00302067/step Wall: 11620.5, 0.00302067/step, 0.942448 hours remaining, 206.328125 MB of memory in use. ENERGY: 3876800 750.4463 2078.3104 1932.2751 103.6255 -206248.4061 17819.1953 0.0000 0.0000 34192.0603 -149372.4931 298.6078 -183564.5534 -149275.7318 298.7290 -50.7369 -20.7053 557668.6876 19.9904 19.9631 PRESSURE: 3877000 -199.899 -91.9949 -4.63279 -91.9959 17.1285 65.4986 -4.63247 65.4976 135.53 GPRESSURE: 3877000 -134.689 16.8153 42.6918 -87.9692 10.3084 158.071 49.4267 40.5591 180.986 PRESSAVG: 3877000 3.47092 9.26265 -29.8027 9.26266 28.9503 -8.50901 -29.8027 -8.50908 -44.3423 GPRESSAVG: 3877000 1.90143 9.78356 -29.4185 8.73858 29.5867 -7.35432 -28.5862 -8.83644 -43.9116 TIMING: 3877000 CPU: 11621.1, 0.0029987/step Wall: 11621.1, 0.0029987/step, 0.935427 hours remaining, 206.328125 MB of memory in use. ENERGY: 3877000 732.0961 2068.4526 1960.2023 113.0893 -206304.3736 17797.4711 0.0000 0.0000 34394.3965 -149238.6658 300.3748 -183633.0623 -149141.4368 298.4867 -15.7471 18.8683 557499.6382 -3.9737 -4.1411 PRESSURE: 3877200 25.0677 -111.577 62.0249 -111.577 -237.703 22.5807 62.0252 22.5809 70.9021 GPRESSURE: 3877200 77.5978 -105.488 70.1419 -54.9813 -180.258 -4.62851 38.163 65.4853 56.2268 PRESSAVG: 3877200 -20.421 -4.80677 6.11387 -4.80684 3.02507 23.0675 6.11391 23.0675 8.64798 GPRESSAVG: 3877200 -19.3106 -3.5204 4.80821 -5.8548 3.69976 22.2585 6.00285 23.9722 6.06928 TIMING: 3877200 CPU: 11621.7, 0.00301586/step Wall: 11621.7, 0.00301586/step, 0.940614 hours remaining, 206.328125 MB of memory in use. ENERGY: 3877200 750.3888 2090.4373 1922.9232 109.0415 -206390.4023 17803.4211 0.0000 0.0000 34500.1875 -149214.0029 301.2987 -183714.1904 -149122.1711 298.9954 -47.2445 -15.4778 556551.9168 -2.9160 -3.1805 PRESSURE: 3877400 -49.5369 -27.1433 48.5532 -27.1438 53.362 -57.2048 48.5519 -57.2055 -220.801 GPRESSURE: 3877400 23.7132 -49.2796 63.2546 -65.1781 56.5005 -19.4111 -34.1379 -86.348 -201.277 PRESSAVG: 3877400 -57.1945 -33.0099 56.8361 -33.0098 -54.0363 16.0927 56.8361 16.0928 101.011 GPRESSAVG: 3877400 -57.5918 -34.1362 55.9333 -33.8616 -53.6452 15.0653 58.4553 15.8999 101.168 TIMING: 3877400 CPU: 11622.3, 0.0030352/step Wall: 11622.3, 0.0030352/step, 0.946478 hours remaining, 206.328125 MB of memory in use. ENERGY: 3877400 758.9898 2115.9847 1921.5373 120.0462 -205960.1125 17692.6796 0.0000 0.0000 34255.1071 -149095.7678 299.1584 -183350.8749 -149000.5007 299.4971 -72.3253 -40.3543 557861.0626 -3.4065 -3.3564 PRESSURE: 3877600 -34.6229 -114.579 -74.8799 -114.579 113.178 14.8137 -74.879 14.8131 340.645 GPRESSURE: 3877600 -27.7039 -98.1029 10.8131 -73.2386 109.59 1.2699 -95.6662 32.4299 426.16 PRESSAVG: 3877600 -24.3295 -33.7647 -56.9011 -33.7647 -28.3667 -3.88632 -56.9011 -3.88621 41.8665 GPRESSAVG: 3877600 -25.1825 -30.9378 -56.5324 -33.2547 -28.886 -4.16264 -57.622 -2.8819 43.2306 TIMING: 3877600 CPU: 11622.9, 0.00304135/step Wall: 11622.9, 0.00304135/step, 0.948224 hours remaining, 206.328125 MB of memory in use. ENERGY: 3877600 768.4078 2097.8617 1928.4452 121.6592 -206341.3446 18069.1532 0.0000 0.0000 34259.0621 -149096.7554 299.1929 -183355.8175 -148993.3852 299.2848 139.7336 169.3485 558329.5750 -3.6099 -3.6126 PRESSURE: 3877800 -180.091 44.5331 -204.801 44.5326 -290.633 62.9701 -204.8 62.9689 94.7625 GPRESSURE: 3877800 -126.144 -4.04676 -154.29 -33.9086 -269.04 79.3711 -159.589 40.5413 129.495 PRESSAVG: 3877800 -11.7533 -34.6104 -2.80859 -34.6104 -31.7685 28.8889 -2.80861 28.8888 75.5231 GPRESSAVG: 3877800 -11.8083 -35.2788 -2.90124 -35.5087 -31.6591 28.4219 -2.9361 28.3853 75.2366 TIMING: 3877800 CPU: 11623.5, 0.00306508/step Wall: 11623.5, 0.00306508/step, 0.955454 hours remaining, 206.328125 MB of memory in use. ENERGY: 3877800 770.4024 2109.9627 1911.8698 110.2386 -205888.7721 17764.6953 0.0000 0.0000 34269.6291 -148951.9743 299.2852 -183221.6034 -148859.9677 300.0485 -125.3205 -88.5630 559641.6063 10.6671 10.5897 PRESSURE: 3878000 142.105 21.2671 1.6721 21.2665 58.8378 53.7012 1.67295 53.7023 178.933 GPRESSURE: 3878000 173.284 13.7458 104.951 96.7537 67.6292 58.3283 -11.618 72.5097 224.117 PRESSAVG: 3878000 30.1539 44.2271 -30.0051 44.2271 19.57 14.5549 -30.0052 14.5549 -17.0715 GPRESSAVG: 3878000 29.9512 43.1949 -29.3559 46.6146 19.9721 15.6037 -31.3827 14.1296 -17.4118 TIMING: 3878000 CPU: 11624.1, 0.00301925/step Wall: 11624.1, 0.00301925/step, 0.940999 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: 3878000 747.0307 2082.7237 1936.4727 115.2308 -206207.9031 18037.1121 0.0000 0.0000 34406.7853 -148882.5478 300.4830 -183289.3331 -148786.0253 299.6496 126.6252 155.0101 558821.3138 10.8842 10.8371 PRESSURE: 3878200 -20.9611 239.977 45.4331 239.976 125.093 70.0733 45.4329 70.0752 155.009 GPRESSURE: 3878200 8.66479 275.552 -60.6228 177.865 140.315 29.881 -11.2265 76.4239 207.523 PRESSAVG: 3878200 -6.42311 18.5251 62.5866 18.5253 6.36771 -11.5438 62.5865 -11.5438 26.4835 GPRESSAVG: 3878200 -6.71747 18.3902 61.9648 17.2278 6.58302 -11.0541 63.1326 -13.9364 26.5133 TIMING: 3878200 CPU: 11624.7, 0.00305924/step Wall: 11624.7, 0.00305924/step, 0.953294 hours remaining, 206.398438 MB of memory in use. ENERGY: 3878200 727.1711 2107.7673 1934.9234 129.5509 -205965.4207 17849.8186 0.0000 0.0000 34296.9972 -148919.1924 299.5242 -183216.1895 -148823.6929 300.6304 86.3804 118.8344 557200.6276 8.8094 8.7930 PRESSURE: 3878400 1.44564 9.92596 -188.704 9.92706 49.416 -93.845 -188.703 -93.8445 -60.3243 GPRESSURE: 3878400 47.3131 39.6938 -187.417 26.1101 63.4382 -102.338 -297.431 -148.622 -16.6173 PRESSAVG: 3878400 -9.51135 -28.8498 -32.6527 -28.8497 13.2053 17.1656 -32.6527 17.1654 52.331 GPRESSAVG: 3878400 -10.4989 -27.8221 -31.7457 -28.9852 14.1814 16.8487 -33.968 19.4668 52.3472 TIMING: 3878400 CPU: 11625.3, 0.0030513/step Wall: 11625.3, 0.0030513/step, 0.950649 hours remaining, 206.398438 MB of memory in use. ENERGY: 3878400 738.4903 2093.2493 1935.7292 108.6445 -206043.2294 17729.2239 0.0000 0.0000 34421.2050 -149016.6872 300.6089 -183437.8923 -148921.2335 300.2056 -3.1542 31.3780 556916.8460 18.6750 18.6765 PRESSURE: 3878600 341.439 -41.3556 82.585 -41.3559 -44.989 -5.54462 82.5834 -5.54369 -98.1406 GPRESSURE: 3878600 333.937 -54.3121 88.3896 -1.64275 -19.0274 13.5766 89.6467 52.8814 -16.3331 PRESSAVG: 3878600 75.1745 14.2601 14.8375 14.2601 -21.9072 47.6951 14.8375 47.6951 11.6161 GPRESSAVG: 3878600 75.6222 13.0918 14.0747 14.8808 -22.6956 49.2749 16.471 46.31 11.9297 TIMING: 3878600 CPU: 11625.9, 0.00302434/step Wall: 11625.9, 0.00302434/step, 0.942083 hours remaining, 206.398438 MB of memory in use. ENERGY: 3878600 754.5159 2098.7082 1947.0216 116.8162 -206288.9924 17917.8358 0.0000 0.0000 34272.5527 -149181.5421 299.3107 -183454.0948 -149079.9709 299.3225 66.1032 99.5255 557070.9649 21.6278 21.6188 PRESSURE: 3878800 284.273 -128.328 -159.38 -128.329 -21.059 31.4696 -159.382 31.4678 28.2964 GPRESSURE: 3878800 332.053 -190.762 -128.244 -94.5333 13.325 21.5832 -98.7226 81.249 37.0772 PRESSAVG: 3878800 -13.113 -60.5827 34.1273 -60.5828 -12.2316 1.21995 34.1272 1.21996 -9.51937 GPRESSAVG: 3878800 -12.0706 -59.3465 36.035 -61.1077 -13.4154 -0.336064 34.1717 3.35369 -9.49755 TIMING: 3878800 CPU: 11626.6, 0.00304383/step Wall: 11626.6, 0.00304383/step, 0.947984 hours remaining, 206.398438 MB of memory in use. ENERGY: 3878800 745.8075 2069.5458 1936.8796 119.6690 -206310.1716 17947.9601 0.0000 0.0000 34187.1566 -149303.1530 298.5649 -183490.3096 -149208.0722 298.6314 97.1701 127.4852 556791.3182 -11.6213 -11.6612 PRESSURE: 3879000 -16.1147 158.797 3.14906 158.799 -187.889 -28.2747 3.14807 -28.2755 -93.7178 GPRESSURE: 3879000 44.95 102.775 14.5277 125.549 -185.829 67.1006 -59.2026 -116.575 -67.046 PRESSAVG: 3879000 18.9255 -22.7303 13.6317 -22.7302 40.5118 66.7172 13.6318 66.7172 -56.3304 GPRESSAVG: 3879000 18.5522 -25.1123 12.8753 -22.7988 40.7131 68.8276 13.5055 64.2475 -55.9301 TIMING: 3879000 CPU: 11627.2, 0.00306868/step Wall: 11627.2, 0.00306868/step, 0.955554 hours remaining, 206.398438 MB of memory in use. ENERGY: 3879000 757.0107 2111.8553 1944.0401 111.9197 -206397.5807 17582.8491 0.0000 0.0000 34404.4267 -149485.4790 300.4624 -183889.9057 -149391.1577 298.7154 -99.2406 -69.3083 556198.4226 1.0356 1.1118 PRESSURE: 3879200 80.2981 31.8253 104.125 31.8248 -285.819 -55.852 104.124 -55.8512 118.579 GPRESSURE: 3879200 135.418 126.41 117.529 -31.2091 -238.427 -141.162 12.8649 -29.1958 120.659 PRESSAVG: 3879200 45.8803 -9.2406 45.7698 -9.24063 -61.6914 13.9201 45.7698 13.92 -19.2463 GPRESSAVG: 3879200 45.5176 -8.81839 46.9368 -7.53066 -61.509 12.107 45.0231 14.1382 -18.1225 TIMING: 3879200 CPU: 11627.8, 0.00303938/step Wall: 11627.8, 0.00303938/step, 0.946261 hours remaining, 206.398438 MB of memory in use. ENERGY: 3879200 751.5729 2142.0293 1945.6915 113.4400 -206243.8822 17785.5829 0.0000 0.0000 34151.6462 -149353.9193 298.2548 -183505.5655 -149261.8827 298.3444 -28.9808 5.8834 556332.3464 -11.6858 -11.3713 PRESSURE: 3879400 -217.721 -42.3554 58.6084 -42.3541 -73.3523 104.024 58.6089 104.023 -241.56 GPRESSURE: 3879400 -186.084 15.6195 23.6977 -35.8595 -60.8561 191.082 42.5291 48.5749 -192.331 PRESSAVG: 3879400 52.7466 30.2243 51.6908 30.2244 7.15323 47.2959 51.6908 47.296 8.57213 GPRESSAVG: 3879400 54.5793 32.1844 50.1036 27.9541 6.56224 47.4916 53.154 48.1817 8.16025 TIMING: 3879400 CPU: 11628.4, 0.0030717/step Wall: 11628.4, 0.0030717/step, 0.956153 hours remaining, 206.398438 MB of memory in use. ENERGY: 3879400 794.6219 2093.3363 1948.0266 118.1562 -206438.8959 17763.9637 0.0000 0.0000 34462.5250 -149258.2662 300.9698 -183720.7912 -149158.0292 299.4449 -177.5445 -146.4239 556544.5263 22.8240 23.1006 PRESSURE: 3879600 2.07148 -185.565 89.122 -185.566 286.481 -29.3292 89.1209 -29.3261 83.4135 GPRESSURE: 3879600 69.4103 -175.045 183.416 -154.688 308.515 63.3699 69.001 -74.893 86.3996 PRESSAVG: 3879600 24.8635 11.3703 -8.10994 11.3703 -31.6232 59.4691 -8.10996 59.4691 -37.7499 GPRESSAVG: 3879600 24.3606 11.0094 -7.69269 11.197 -31.0658 60.775 -10.0793 59.167 -37.6057 TIMING: 3879600 CPU: 11629, 0.00305808/step Wall: 11629, 0.00305808/step, 0.951742 hours remaining, 206.398438 MB of memory in use. ENERGY: 3879600 780.6037 2128.6586 1950.0456 117.2693 -206266.7858 18063.9255 0.0000 0.0000 33956.4275 -149269.8556 296.5499 -183226.2830 -149182.7840 299.4664 123.9886 154.7750 557445.4669 -14.8365 -14.7703 PRESSURE: 3879800 -139.469 -81.4637 38.7599 -81.4626 -109.152 11.3498 38.7583 11.3488 67.1229 GPRESSURE: 3879800 -53.424 -110.923 48.3946 -27.7754 -53.2159 47.1522 41.2092 47.5884 28.6181 PRESSAVG: 3879800 -28.7681 -24.7173 13.6304 -24.7173 -10.6156 31.3301 13.6303 31.3301 7.53259 GPRESSAVG: 3879800 -29.2491 -24.0446 13.696 -25.2612 -9.39868 31.2714 13.5482 31.1344 6.21157 TIMING: 3879800 CPU: 11629.6, 0.00305254/step Wall: 11629.6, 0.00305254/step, 0.949849 hours remaining, 206.398438 MB of memory in use. ENERGY: 3879800 753.0068 2141.0924 1940.1151 114.0217 -206215.3756 17827.9374 0.0000 0.0000 34213.7360 -149225.4663 298.7971 -183439.2022 -149128.1088 298.6322 -60.4993 -26.0073 556996.7863 -10.6170 -10.8121 PRESSURE: 3880000 -334.186 -77.0269 -32.4732 -77.0274 -164.392 87.8305 -32.4705 87.8292 -81.5612 GPRESSURE: 3880000 -326.969 -67.1783 -84.0687 -0.432915 -162.525 151.025 4.47583 77.8019 -6.26206 PRESSAVG: 3880000 -36.3257 23.874 17.3657 23.8739 -60.9529 -15.0236 17.3658 -15.0238 71.241 GPRESSAVG: 3880000 -36.9488 23.8979 15.0826 24.9226 -62.1421 -15.5472 19.0133 -16.0672 72.859 TIMING: 3880000 CPU: 11630.2, 0.00305071/step Wall: 11630.2, 0.00305071/step, 0.949111 hours remaining, 206.398438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 3880000 748.5624 2115.2081 1981.7693 101.2861 -205970.8843 17451.0943 0.0000 0.0000 34144.3178 -149428.6463 298.1908 -183572.9641 -149329.3132 298.7372 -193.3800 -165.2520 557770.6389 -8.6792 -8.7440 PRESSURE: 3880200 -142.351 137.947 193.361 137.948 246.073 -34.5511 193.362 -34.5515 -324.868 GPRESSURE: 3880200 -135.63 194.942 193.68 139.75 232.615 -89.7829 120.088 -6.00358 -225.074 PRESSAVG: 3880200 -37.0342 22.8659 15.7999 22.8658 54.6148 19.3739 15.8001 19.3738 15.0881 GPRESSAVG: 3880200 -38.3408 20.7687 17.1667 23.6636 55.8568 18.943 15.4915 20.9818 15.2575 TIMING: 3880200 CPU: 11630.8, 0.00302948/step Wall: 11630.8, 0.00302948/step, 0.942335 hours remaining, 206.398438 MB of memory in use. ENERGY: 3880200 763.4332 2064.3155 1953.7052 108.2440 -206345.3961 17715.1035 0.0000 0.0000 34401.0691 -149339.5256 300.4331 -183740.5947 -149243.8216 298.8329 -73.7153 -42.6964 556096.7077 10.8896 10.9245 LDB: ============= START OF LOAD BALANCING ============== 11634.3 LDB: ============== END OF LOAD BALANCING =============== 11634.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11634.3 LDB: ============= START OF LOAD BALANCING ============== 11634.6 LDB: Largest compute 4820 load 0.022584 is 19.1% of average load 0.118084 LDB: Average compute 0.001730 is 1.5% of average load 0.118084 LDB: TIME 11634.6 LOAD: AVG 0.118084 MAX 0.217204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.203 MB LDB: TIME 11634.6 LOAD: AVG 0.118084 MAX 0.217204 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: TIME 11634.6 LOAD: AVG 0.118084 MAX 0.217204 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.207 MB LDB: ============== END OF LOAD BALANCING =============== 11634.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11634.6 PRESSURE: 3880400 -56.18 112.959 -58.3893 112.96 97.6583 200.968 -58.3894 200.969 -303.848 GPRESSURE: 3880400 -8.7241 26.0658 -90.3802 83.7888 123.714 151.392 -39.3768 257.487 -284.074 PRESSAVG: 3880400 -95.0113 6.39913 -54.2173 6.39915 49.9444 52.5357 -54.2172 52.5358 69.6082 GPRESSAVG: 3880400 -93.543 7.82605 -52.519 5.46114 48.937 51.7151 -55.0179 51.4469 69.2135 TIMING: 3880400 CPU: 11631.4, 0.00311569/step Wall: 11631.4, 0.00311569/step, 0.968979 hours remaining, 205.230469 MB of memory in use. ENERGY: 3880400 712.0587 2065.4325 1963.2969 119.6527 -206052.7077 17581.0731 0.0000 0.0000 34429.3547 -149181.8391 300.6801 -183611.1938 -149088.2349 299.8304 -87.4566 -56.3615 556583.2473 8.1804 8.2025 PRESSURE: 3880600 240.349 57.7226 245.807 57.7239 163.346 23.7624 245.807 23.7612 -105.919 GPRESSURE: 3880600 266.459 38.7693 262.169 -1.36911 214.155 17.0494 278.48 -48.5905 -86.0299 PRESSAVG: 3880600 -37.2988 -16.1439 0.316955 -16.144 40.6816 -26.1021 0.316964 -26.1022 44.9618 GPRESSAVG: 3880600 -37.0467 -15.7104 -0.762385 -17.5832 40.8054 -27.0164 1.483 -25.9004 44.4146 TIMING: 3880600 CPU: 11632.1, 0.0030416/step Wall: 11632.1, 0.0030416/step, 0.94577 hours remaining, 205.433594 MB of memory in use. ENERGY: 3880600 732.0475 2129.4894 1946.1454 112.7251 -206266.8184 17860.5993 0.0000 0.0000 34348.6069 -149137.2048 299.9749 -183485.8117 -149045.3043 299.5114 99.2589 131.5279 555989.7058 16.1149 16.0578 PRESSURE: 3880800 109.352 33.9432 -30.3814 33.9435 -380.882 -42.3493 -30.3808 -42.3512 -224.821 GPRESSURE: 3880800 145.324 26.1414 -110.055 -9.79268 -319.652 -63.3333 -41.1817 -9.43263 -217.85 PRESSAVG: 3880800 -21.5846 -36.013 8.69933 -36.0131 71.3474 -62.3261 8.69928 -62.3261 -57.4099 GPRESSAVG: 3880800 -21.2472 -37.0936 8.09579 -34.6271 71.0992 -61.3716 8.22529 -62.5836 -57.1578 TIMING: 3880800 CPU: 11632.7, 0.0030062/step Wall: 11632.7, 0.0030062/step, 0.934593 hours remaining, 205.433594 MB of memory in use. ENERGY: 3880800 782.7893 2151.7634 1937.1054 105.1003 -205857.9098 17541.2732 0.0000 0.0000 34185.8674 -149154.0108 298.5537 -183339.8782 -149065.0355 300.2316 -165.4506 -130.7260 558115.4295 -2.5491 -2.4353 PRESSURE: 3881000 -4.34804 -57.1354 -53.9276 -57.1364 171.601 114.635 -53.9273 114.633 -19.8663 GPRESSURE: 3881000 48.144 -156.892 -89.6673 29.515 204.092 132.246 -50.8979 97.5701 -10.7286 PRESSAVG: 3881000 -13.4193 5.32834 12.2396 5.32829 58.5798 27.5501 12.2396 27.5501 -36.6197 GPRESSAVG: 3881000 -14.6873 7.00993 12.2296 5.0552 58.157 26.8774 11.6777 27.1685 -35.261 TIMING: 3881000 CPU: 11633.3, 0.0030145/step Wall: 11633.3, 0.0030145/step, 0.937008 hours remaining, 205.433594 MB of memory in use. ENERGY: 3881000 711.0343 2049.6643 1948.4756 116.6373 -206578.2734 18103.2210 0.0000 0.0000 34413.0580 -149236.1828 300.5378 -183649.2408 -149128.7129 299.0336 49.1288 80.5025 559078.7510 2.8469 2.7362 PRESSURE: 3881200 -46.0266 46.0006 133.076 46.0016 -120.177 -33.5807 133.077 -33.5781 -56.5929 GPRESSURE: 3881200 -30.2246 82.6239 126.978 -48.3666 -39.718 -4.32246 146.62 -101.364 -43.4582 PRESSAVG: 3881200 -13.8601 29.5115 -16.4451 29.5114 44.88 28.3639 -16.445 28.364 -5.51502 GPRESSAVG: 3881200 -12.9157 27.5095 -15.5732 30.7985 44.9668 29.2705 -16.9327 28.3655 -6.18834 TIMING: 3881200 CPU: 11633.9, 0.00305144/step Wall: 11633.9, 0.00305144/step, 0.948321 hours remaining, 205.433594 MB of memory in use. ENERGY: 3881200 788.2322 2058.3427 1932.1118 118.3235 -206219.7618 17749.5809 0.0000 0.0000 34227.7610 -149345.4098 298.9195 -183573.1707 -149247.2166 298.9308 -74.2656 -37.8003 557356.2963 8.5016 8.6209 PRESSURE: 3881400 -2.02716 147.053 -79.4602 147.052 233.611 -65.9085 -79.4613 -65.9071 84.9805 GPRESSURE: 3881400 41.6411 43.8587 -87.0063 275.364 199.82 -34.532 -100.88 -71.473 184.042 PRESSAVG: 3881400 -62.5012 -29.393 -19.5337 -29.393 -8.41519 23.1482 -19.5337 23.1481 18.7117 GPRESSAVG: 3881400 -62.4294 -28.128 -18.7927 -29.6043 -8.58951 23.5245 -20.421 22.4863 18.8406 TIMING: 3881400 CPU: 11634.5, 0.00304277/step Wall: 11634.5, 0.00304277/step, 0.945458 hours remaining, 205.433594 MB of memory in use. ENERGY: 3881400 746.5236 2080.1955 1939.9038 121.7443 -206654.4042 18177.2326 0.0000 0.0000 34353.4303 -149235.3741 300.0171 -183588.8044 -149140.7436 299.0020 105.5213 141.8345 557131.9216 -17.4016 -17.3928 PRESSURE: 3881600 -142.457 61.1984 -70.9957 61.1975 -6.31713 -39.5099 -70.9956 -39.5115 -227.831 GPRESSURE: 3881600 -129.623 64.3979 -133.418 92.6352 50.025 -38.0995 -66.1649 1.86415 -193.013 PRESSAVG: 3881600 60.6676 16.5327 -25.2163 16.5326 47.0079 39.8851 -25.2163 39.8851 -42.2844 GPRESSAVG: 3881600 60.5022 16.9932 -27.9544 16.736 47.2692 38.0753 -22.7005 42.2758 -42.2325 TIMING: 3881600 CPU: 11635.1, 0.00304005/step Wall: 11635.1, 0.00304005/step, 0.944444 hours remaining, 205.433594 MB of memory in use. ENERGY: 3881600 758.9928 2033.3481 1942.6551 124.5485 -206290.5079 17755.9997 0.0000 0.0000 34360.9062 -149314.0575 300.0823 -183674.9637 -149211.7603 299.1267 -125.5351 -90.8701 556992.7027 21.7970 21.8463 PRESSURE: 3881800 -142.382 90.6592 67.0333 90.66 -107.476 -12.8811 67.0329 -12.8803 -87.683 GPRESSURE: 3881800 -155.931 117.929 102.886 97.4065 -83.3806 -37.4633 78.461 -34.4058 -17.6028 PRESSAVG: 3881800 -34.6008 7.91725 -54.8646 7.91713 18.2768 39.3157 -54.8645 39.3156 -15.188 GPRESSAVG: 3881800 -34.6881 7.14768 -52.4534 7.98566 17.4988 40.3369 -56.6293 38.2313 -14.7186 TIMING: 3881800 CPU: 11635.7, 0.00303171/step Wall: 11635.7, 0.00303171/step, 0.941683 hours remaining, 205.433594 MB of memory in use. ENERGY: 3881800 740.4445 2111.1800 1937.7655 118.3407 -206203.4329 17681.2243 0.0000 0.0000 34296.3982 -149318.0797 299.5190 -183614.4779 -149226.6622 298.1573 -112.5137 -85.6381 557204.2646 -10.5040 -10.6360 PRESSURE: 3882000 81.4183 58.1046 35.0652 58.1031 14.8868 -19.8689 35.0661 -19.8688 230.889 GPRESSURE: 3882000 147.463 -21.4637 16.6591 95.5723 25.3198 -38.0739 95.9127 19.6678 253.165 PRESSAVG: 3882000 45.1096 27.8696 13.5908 27.8695 12.2889 -26.8659 13.5908 -26.8659 -39.3618 GPRESSAVG: 3882000 44.4747 26.8581 12.2011 28.8651 13.2617 -24.1673 14.2693 -28.8648 -40.2534 TIMING: 3882000 CPU: 11636.3, 0.0030465/step Wall: 11636.3, 0.0030465/step, 0.946108 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: 3882000 789.4819 2141.1979 1919.4781 122.4130 -206425.6342 17967.5322 0.0000 0.0000 34415.7472 -149069.7840 300.5613 -183485.5313 -148980.6797 299.7752 109.0646 141.9825 556224.9489 6.0122 5.8277 PRESSURE: 3882200 -40.5733 115.315 -103.736 115.315 -179.136 86.8075 -103.736 86.8072 -159.871 GPRESSURE: 3882200 -16.4474 94.4767 -63.6434 78.9302 -119.742 52.2478 -46.1647 68.1871 -154.485 PRESSAVG: 3882200 -18.5247 -0.0107808 9.49371 -0.0107489 -16.452 -2.72231 9.4938 -2.72239 -10.5642 GPRESSAVG: 3882200 -18.0177 1.11357 9.93226 -0.752219 -17.3048 -5.14109 9.86524 -2.26304 -10.8248 TIMING: 3882200 CPU: 11636.9, 0.00304709/step Wall: 11636.9, 0.00304709/step, 0.94612 hours remaining, 205.433594 MB of memory in use. ENERGY: 3882200 729.5213 2110.0637 1943.9448 123.4666 -205995.1161 17733.2049 0.0000 0.0000 34098.8983 -149256.0166 297.7942 -183354.9148 -149163.4503 299.4498 -126.5269 -96.8915 557852.5835 -15.1803 -15.3824 PRESSURE: 3882400 -166.057 -5.55358 39.9815 -5.55202 49.4646 -24.903 39.9807 -24.9032 -316.537 GPRESSURE: 3882400 -108.166 -80.3837 31.8645 18.8265 121.502 -66.9134 39.93 21.0943 -327.355 PRESSAVG: 3882400 -91.4456 -5.44978 13.4977 -5.44988 40.1615 -25.3276 13.4976 -25.3277 69.4457 GPRESSAVG: 3882400 -91.3094 -3.82507 13.2408 -7.4562 39.0924 -26.2653 12.6461 -24.004 70.2917 TIMING: 3882400 CPU: 11637.5, 0.00304358/step Wall: 11637.5, 0.00304358/step, 0.944861 hours remaining, 205.433594 MB of memory in use. ENERGY: 3882400 729.9505 2043.5900 1966.9445 124.0178 -206087.3061 17662.5663 0.0000 0.0000 34293.0695 -149267.1675 299.4899 -183560.2370 -149172.3090 298.7196 -144.3763 -104.6730 558223.1041 6.0539 6.0249 PRESSURE: 3882600 -140.037 -169.611 164.95 -169.612 -43.6416 -46.0486 164.95 -46.0502 66.9316 GPRESSURE: 3882600 -131.422 -137.473 190.599 -276.393 51.1433 47.1721 265.734 -92.1438 70.3324 PRESSAVG: 3882600 -52.8421 -18.0322 -11.6695 -18.0322 20.8764 1.04613 -11.6695 1.04611 69.1967 GPRESSAVG: 3882600 -52.09 -18.3461 -12.105 -17.9739 21.9549 2.37066 -10.1038 0.29947 67.296 TIMING: 3882600 CPU: 11638.1, 0.00304641/step Wall: 11638.1, 0.00304641/step, 0.945573 hours remaining, 205.433594 MB of memory in use. ENERGY: 3882600 746.1846 2043.1082 1947.7597 115.0706 -206261.4336 17836.6299 0.0000 0.0000 34308.7304 -149263.9503 299.6267 -183572.6806 -149160.1601 298.4957 -38.9156 -3.3156 557749.8418 12.4103 12.3870 PRESSURE: 3882800 57.3602 -114.129 199.164 -114.13 36.8387 -113.817 199.163 -113.817 33.8236 GPRESSURE: 3882800 54.4533 -71.0629 224.295 -192.755 82.294 -34.963 249.097 -82.4335 88.6136 PRESSAVG: 3882800 -79.9851 -60.4257 1.01365 -60.4257 69.3314 -38.8747 1.01361 -38.8749 16.7993 GPRESSAVG: 3882800 -80.7018 -62.0189 2.25634 -58.8532 68.5954 -37.6885 0.669746 -38.2509 18.283 TIMING: 3882800 CPU: 11638.7, 0.0030225/step Wall: 11638.7, 0.0030225/step, 0.937982 hours remaining, 205.433594 MB of memory in use. ENERGY: 3882800 799.6655 2068.7651 1916.5454 106.7483 -206506.6224 18201.3255 0.0000 0.0000 34079.3024 -149334.2702 297.6230 -183413.5726 -149247.3756 298.7314 42.6741 75.1203 557160.4559 2.0486 2.0589 PRESSURE: 3883000 18.9114 -55.0195 -143.375 -55.0208 -182.557 45.4493 -143.376 45.4485 -147.373 GPRESSURE: 3883000 51.6599 -0.88478 -236.698 -20.0567 -160.111 0.888254 -129.611 -4.15246 -112.589 PRESSAVG: 3883000 -37.4824 -5.82134 9.37838 -5.82127 48.3681 -72.9885 9.37844 -72.9884 1.52175 GPRESSAVG: 3883000 -36.3973 -3.76549 9.15818 -6.91626 48.0448 -75.1829 8.27282 -74.2732 1.36474 TIMING: 3883000 CPU: 11639.3, 0.00304368/step Wall: 11639.3, 0.00304368/step, 0.944385 hours remaining, 205.433594 MB of memory in use. ENERGY: 3883000 754.1385 2016.3578 1935.1471 109.8790 -205958.1166 17691.5543 0.0000 0.0000 34033.9757 -149417.0643 297.2272 -183451.0399 -149325.8633 298.2112 -103.6731 -73.6801 558320.3616 4.1358 4.3374 PRESSURE: 3883200 -290.485 42.3646 -99.1209 42.3647 123.172 -24.4396 -99.1218 -24.4409 -58.2823 GPRESSURE: 3883200 -262.942 19.3525 -72.2468 44.2932 127.244 -43.2339 -67.8596 56.0604 -5.26773 PRESSAVG: 3883200 28.7636 48.9591 48.2951 48.9592 -43.0786 -35.6098 48.2951 -35.6098 10.4972 GPRESSAVG: 3883200 27.73 46.8567 47.8072 49.8631 -41.6603 -36.6196 48.157 -35.9341 10.1741 TIMING: 3883200 CPU: 11639.9, 0.00300954/step Wall: 11639.9, 0.00300954/step, 0.933627 hours remaining, 205.433594 MB of memory in use. ENERGY: 3883200 739.9053 2110.6242 1913.9443 105.5665 -206207.9960 17673.0688 0.0000 0.0000 34292.1955 -149372.6914 299.4823 -183664.8869 -149279.1953 298.6227 -75.1987 -46.9885 556179.4277 -1.2726 -1.2521 PRESSURE: 3883400 -76.0514 17.6992 -152.84 17.6996 -164.682 15.2412 -152.84 15.2412 -16.215 GPRESSURE: 3883400 -69.3683 -39.2958 -181.795 61.7802 -64.6935 -6.7003 -168.559 12.6587 -26.9023 PRESSAVG: 3883400 -61.5546 20.8544 13.7983 20.8545 3.75368 8.17363 13.7983 8.17368 32.6507 GPRESSAVG: 3883400 -60.8217 20.988 14.3675 19.8561 3.64713 8.81421 16.5693 7.94718 32.7717 TIMING: 3883400 CPU: 11640.5, 0.00300832/step Wall: 11640.5, 0.00300832/step, 0.933081 hours remaining, 205.433594 MB of memory in use. ENERGY: 3883400 734.0370 2114.1673 1925.8754 100.1686 -206063.5787 17712.4220 0.0000 0.0000 34052.8638 -149424.0446 297.3921 -183476.9084 -149325.2314 298.5132 -85.6495 -53.6547 557700.2932 -8.3834 -8.1343 PRESSURE: 3883600 -172.257 -4.56592 90.8102 -4.56468 -139.975 107.775 90.8098 107.775 -55.2502 GPRESSURE: 3883600 -163.993 20.8149 59.8218 -28.9935 -182.365 77.4168 65.3245 164.821 66.1527 PRESSAVG: 3883600 -26.0634 -28.3204 -3.16006 -28.3204 55.8316 10.8194 -3.16011 10.8195 -25.2601 GPRESSAVG: 3883600 -26.7543 -28.8596 -2.28935 -28.2323 55.1674 11.1874 -6.82411 11.104 -23.75 TIMING: 3883600 CPU: 11641.1, 0.0030022/step Wall: 11641.1, 0.0030022/step, 0.931016 hours remaining, 205.433594 MB of memory in use. ENERGY: 3883600 751.9636 2106.6654 1947.8492 120.3818 -205957.6897 17677.8971 0.0000 0.0000 34052.0975 -149300.8351 297.3854 -183352.9326 -149211.9079 298.5564 -122.4939 -93.4019 556850.2434 1.5027 1.5543 PRESSURE: 3883800 86.3694 10.1978 173.62 10.1976 240.795 183.656 173.621 183.656 275.108 GPRESSURE: 3883800 144.516 77.8224 199.397 -9.18645 268.731 27.684 102.121 288.691 298.922 PRESSAVG: 3883800 -29.7976 7.02055 28.185 7.02049 3.76519 6.21736 28.1849 6.21729 25.7031 GPRESSAVG: 3883800 -30.2373 8.10418 28.0427 8.61744 5.17495 7.33022 30.3887 6.67842 24.4319 TIMING: 3883800 CPU: 11641.8, 0.00301841/step Wall: 11641.8, 0.00301841/step, 0.935874 hours remaining, 205.433594 MB of memory in use. ENERGY: 3883800 744.7732 2099.0613 1947.4260 105.4859 -206255.9988 18050.9224 0.0000 0.0000 34066.5162 -149241.8138 297.5114 -183308.3300 -149154.0677 298.8142 200.7576 237.3897 556241.8926 -0.1098 -0.2101 PRESSURE: 3884000 272.687 135.382 9.69476 135.383 -43.9407 -123.968 9.6948 -123.968 47.2599 GPRESSURE: 3884000 308.363 70.1657 54.3102 134.799 31.8437 -75.707 7.9696 -219.452 26.4907 PRESSAVG: 3884000 -10.2038 -39.3184 23.1308 -39.3184 -19.7783 15.1619 23.1308 15.1618 84.1556 GPRESSAVG: 3884000 -7.98042 -39.6615 23.0921 -42.1366 -21.2896 13.4748 22.0306 16.1172 83.0375 TIMING: 3884000 CPU: 11642.4, 0.00300938/step Wall: 11642.4, 0.00300938/step, 0.932909 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: 3884000 722.2539 2055.1950 1944.5465 115.7458 -206183.1598 17736.2941 0.0000 0.0000 34303.1093 -149306.0152 299.5776 -183609.1245 -149202.7367 298.7219 92.0021 122.2324 557673.8490 18.0578 17.9225 PRESSURE: 3884200 -122.805 -72.8268 141.492 -72.8273 -178.481 -100.485 141.491 -100.485 -136.212 GPRESSURE: 3884200 -149.057 -121.193 148.44 -37.2052 -163.691 -118.285 164.191 -128.392 -40.5418 PRESSAVG: 3884200 -24.8112 50.1997 -51.5122 50.1997 -20.8298 -36.0395 -51.5122 -36.0395 64.1468 GPRESSAVG: 3884200 -26.8303 49.5021 -51.0974 53.7432 -20.6395 -33.786 -50.3706 -39.736 65.843 TIMING: 3884200 CPU: 11643, 0.00302029/step Wall: 11643, 0.00302029/step, 0.936122 hours remaining, 205.433594 MB of memory in use. ENERGY: 3884200 767.4329 2070.4583 1929.7118 109.6824 -205885.5269 17531.8479 0.0000 0.0000 34091.4406 -149384.9530 297.7290 -183476.3936 -149279.4831 298.5324 -145.8327 -117.7631 557713.5720 6.1686 6.1244 LDB: ============= START OF LOAD BALANCING ============== 11646.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11646.4 LDB: =============== DONE WITH MIGRATION ================ 11646.4 LDB: ============= START OF LOAD BALANCING ============== 11646.7 LDB: Largest compute 4820 load 0.022686 is 19.2% of average load 0.118073 LDB: Average compute 0.001729 is 1.5% of average load 0.118073 LDB: TIME 11646.7 LOAD: AVG 0.118073 MAX 0.216998 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.973 MB LDB: TIME 11646.7 LOAD: AVG 0.118073 MAX 0.216998 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.977 MB LDB: TIME 11646.7 LOAD: AVG 0.118073 MAX 0.216998 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11646.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11646.7 PRESSURE: 3884400 -438.833 41.108 -95.6921 41.1086 -200.861 71.3032 -95.6931 71.3024 69.8174 GPRESSURE: 3884400 -373.763 125.5 -126.213 16.8666 -191.691 51.1811 -197.747 33.9754 89.0701 PRESSAVG: 3884400 -43.4446 44.083 -0.265485 44.083 -60.1061 -20.7501 -0.265478 -20.75 83.133 GPRESSAVG: 3884400 -43.393 43.6205 1.28935 43.5852 -59.2213 -23.5238 -2.90483 -17.5666 82.9784 TIMING: 3884400 CPU: 11643.6, 0.00312166/step Wall: 11643.6, 0.00312166/step, 0.967369 hours remaining, 207.226562 MB of memory in use. ENERGY: 3884400 764.4037 2135.9177 1917.8932 108.1656 -205790.7259 17554.3905 0.0000 0.0000 34153.7628 -149156.1923 298.2733 -183309.9552 -149066.4791 298.7028 -189.9588 -158.7945 558661.1906 -6.8059 -6.5453 PRESSURE: 3884600 -269.233 94.7146 16.9 94.7142 -66.5425 -108.52 16.9014 -108.522 -61.1721 GPRESSURE: 3884600 -232.586 34.4897 -2.39773 103.279 -40.7991 -87.2976 -23.1276 -131.588 -28.3371 PRESSAVG: 3884600 -25.1226 9.81944 -50.9353 9.81933 33.3452 -3.89832 -50.9353 -3.89829 -25.2262 GPRESSAVG: 3884600 -24.5062 10.7396 -55.3925 8.45783 32.0548 -1.88218 -46.5473 -5.67943 -24.5101 TIMING: 3884600 CPU: 11644.2, 0.00301957/step Wall: 11644.2, 0.00301957/step, 0.935563 hours remaining, 207.429688 MB of memory in use. ENERGY: 3884600 764.6880 2107.5869 1915.8385 103.7739 -206049.0252 17596.1117 0.0000 0.0000 34181.3152 -149379.7110 298.5139 -183561.0263 -149288.6235 298.4878 -132.3159 -100.5740 558053.9089 -5.6679 -5.6538 PRESSURE: 3884800 -265.536 2.83173 -55.6178 2.83059 -185.874 66.2574 -55.6183 66.2582 -519.349 GPRESSURE: 3884800 -300.753 -61.1179 -194.087 -23.3529 -167.644 38.8871 21.7715 85.3845 -411.812 PRESSAVG: 3884800 -10.9191 -8.61852 11.0122 -8.61848 -12.7548 15.4778 11.0121 15.4778 42.3731 GPRESSAVG: 3884800 -10.827 -7.63553 13.1313 -8.22649 -13.8182 17.0457 8.53145 14.3639 43.715 TIMING: 3884800 CPU: 11644.8, 0.00301925/step Wall: 11644.8, 0.00301925/step, 0.935297 hours remaining, 207.429688 MB of memory in use. ENERGY: 3884800 709.7699 2077.5675 1912.8595 110.0289 -205823.5820 17344.3914 0.0000 0.0000 34319.6734 -149349.2913 299.7222 -183668.9647 -149247.6539 298.9389 -323.5866 -293.4028 558840.9475 6.2331 6.3566 PRESSURE: 3885000 -165.938 31.517 -260.421 31.5158 -51.1645 108.203 -260.419 108.204 148.713 GPRESSURE: 3885000 -131.355 -13.7626 -332.772 35.1454 11.5518 149.208 -228.395 72.6848 144.647 PRESSAVG: 3885000 -20.3706 5.13671 -62.4632 5.13678 28.9425 -8.40044 -62.4632 -8.40054 8.83402 GPRESSAVG: 3885000 -20.184 4.72696 -61.1904 7.09337 31.0661 -11.7075 -64.0049 -4.43105 6.64346 TIMING: 3885000 CPU: 11645.4, 0.00299711/step Wall: 11645.4, 0.00299711/step, 0.928272 hours remaining, 207.429688 MB of memory in use. ENERGY: 3885000 723.9221 2090.1434 1940.8849 109.5853 -206263.8262 17822.0257 0.0000 0.0000 34314.7626 -149262.5023 299.6794 -183577.2649 -149171.3900 299.2002 -22.7965 8.2812 557838.0863 5.8020 5.8419 PRESSURE: 3885200 135.343 -4.68873 187.87 -4.68939 215.902 24.1671 187.871 24.1677 105.898 GPRESSURE: 3885200 167.222 -34.0519 201.318 74.6931 278.774 36.1141 245.506 18.666 115.16 PRESSAVG: 3885200 -67.2093 -15.781 -24.6828 -15.7809 -13.0977 1.0477 -24.6828 1.04756 60.5556 GPRESSAVG: 3885200 -66.8258 -16.6293 -25.0788 -17.7176 -12.3103 1.71425 -24.6603 -0.460049 58.9079 TIMING: 3885200 CPU: 11646, 0.00300286/step Wall: 11646, 0.00300286/step, 0.929885 hours remaining, 207.429688 MB of memory in use. ENERGY: 3885200 726.2892 2147.1113 1955.6061 106.4849 -206724.8109 18194.8269 0.0000 0.0000 34362.8827 -149231.6098 300.0996 -183594.4924 -149138.5687 299.2897 152.3809 187.0520 557297.4102 -6.5838 -6.7427 PRESSURE: 3885400 -173.318 2.01069 19.0192 2.0108 -176.329 -86.1471 19.0198 -86.1474 -103.287 GPRESSURE: 3885400 -166.253 -28.8621 4.7926 23.8316 -161.951 -100.472 40.2302 -78.7489 -34.7991 PRESSAVG: 3885400 -21.0456 -2.68413 -49.9558 -2.68406 -21.1912 42.8831 -49.9558 42.8831 42.8387 GPRESSAVG: 3885400 -22.2779 -0.796311 -50.7006 -3.8438 -22.4672 43.8064 -49.7591 42.6684 44.9895 TIMING: 3885400 CPU: 11646.6, 0.00300547/step Wall: 11646.6, 0.00300547/step, 0.930527 hours remaining, 207.429688 MB of memory in use. ENERGY: 3885400 754.8471 2123.2232 1920.3899 92.3789 -205989.6690 17552.6680 0.0000 0.0000 34236.4540 -149309.7079 298.9955 -183546.1619 -149216.8145 298.8434 -150.9780 -121.0012 558805.7914 0.2006 0.0815 PRESSURE: 3885600 -249.365 -29.2767 -142.905 -29.2759 -204.394 28.4623 -142.905 28.4625 -228.204 GPRESSURE: 3885600 -191.069 -70.9906 -131.859 12.3505 -186.567 32.4701 -157.015 52.0741 -199.852 PRESSAVG: 3885600 17.8726 -8.80633 5.49458 -8.80631 -38.5076 48.5976 5.49458 48.5976 40.2017 GPRESSAVG: 3885600 17.6507 -9.85218 6.02937 -7.94474 -39.3069 47.2839 7.6987 47.8179 40.8076 TIMING: 3885600 CPU: 11647.2, 0.00303975/step Wall: 11647.2, 0.00303975/step, 0.94097 hours remaining, 207.429688 MB of memory in use. ENERGY: 3885600 797.7753 2095.0628 1933.2761 115.8920 -206036.7541 17591.0983 0.0000 0.0000 34321.0689 -149182.5806 299.7344 -183503.6495 -149073.9216 299.2559 -227.3213 -192.4962 558064.4883 6.5222 6.3838 PRESSURE: 3885800 -50.7316 -87.2081 -145.687 -87.2078 80.3666 55.0615 -145.687 55.0643 4.88128 GPRESSURE: 3885800 -64.6187 -89.304 -78.9527 -121.665 149.677 49.8312 -212.937 16.2889 53.0447 PRESSAVG: 3885800 -12.0516 -6.92484 5.2571 -6.92489 24.5624 47.9332 5.25704 47.9332 -2.5392 GPRESSAVG: 3885800 -11.7584 -6.68783 5.55305 -7.89867 25.4539 47.9358 3.98277 49.4206 -2.55854 TIMING: 3885800 CPU: 11647.8, 0.00305306/step Wall: 11647.8, 0.00305306/step, 0.944923 hours remaining, 207.429688 MB of memory in use. ENERGY: 3885800 752.0488 2081.5052 1931.3928 118.2238 -206012.2199 17727.2113 0.0000 0.0000 34053.4218 -149348.4161 297.3970 -183401.8379 -149252.2446 298.8883 11.5054 46.0343 558497.0720 3.3239 3.7123 PRESSURE: 3886000 143.136 45.1403 -56.1018 45.1403 -94.2058 188.015 -56.1018 188.016 8.85694 GPRESSURE: 3886000 166.18 10.2264 -31.7821 103.48 -50.9115 219.051 -82.1672 183.607 38.0787 PRESSAVG: 3886000 0.686179 -28.1383 -37.3959 -28.1382 -47.8973 11.733 -37.3959 11.733 53.704 GPRESSAVG: 3886000 2.19435 -29.2608 -36.7837 -26.4492 -48.9923 11.8248 -38.0644 10.9445 52.7891 TIMING: 3886000 CPU: 11648.4, 0.00305353/step Wall: 11648.4, 0.00305353/step, 0.944896 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: 3886000 732.5904 2085.8989 1957.4969 108.1668 -206329.6244 17937.1571 0.0000 0.0000 34074.9371 -149433.3771 297.5849 -183508.3142 -149336.7789 298.1252 19.2623 51.1157 556851.7446 2.1643 1.9970 PRESSURE: 3886200 -61.2564 60.0442 -38.3132 60.0437 -129.727 -77.2464 -38.3127 -77.2467 -162.738 GPRESSURE: 3886200 9.12096 4.27769 -38.9483 69.5766 -139.298 -83.8005 -5.06869 -43.8659 -120.946 PRESSAVG: 3886200 13.4703 -15.7897 2.265 -15.7897 -10.9868 57.9729 2.26512 57.973 -23.4789 GPRESSAVG: 3886200 12.6513 -15.022 1.02532 -16.5027 -9.79627 56.0604 3.73232 59.6206 -23.3619 TIMING: 3886200 CPU: 11649, 0.0030379/step Wall: 11649, 0.0030379/step, 0.939894 hours remaining, 207.429688 MB of memory in use. ENERGY: 3886200 748.0694 2085.3717 1902.8679 114.0078 -206357.6186 17922.1001 0.0000 0.0000 34221.9178 -149363.2839 298.8685 -183585.2018 -149278.2608 298.7093 -117.9069 -83.7078 557360.7287 -6.9984 -6.8356 PRESSURE: 3886400 -50.3115 -70.7417 -63.8787 -70.7409 -130.449 -147.408 -63.8786 -147.408 -324.998 GPRESSURE: 3886400 -37.7362 -58.3301 -153.431 -128.602 -109.136 -145.899 -48.1939 12.5002 -269.544 PRESSAVG: 3886400 1.87506 21.702 22.2793 21.7021 41.2031 1.73554 22.2794 1.73568 -28.0164 GPRESSAVG: 3886400 2.33616 22.3026 22.9451 20.9285 40.204 2.89993 21.6018 1.58219 -27.9867 TIMING: 3886400 CPU: 11649.6, 0.00303379/step Wall: 11649.6, 0.00303379/step, 0.938452 hours remaining, 207.429688 MB of memory in use. ENERGY: 3886400 741.4748 2098.5937 1940.9921 116.2863 -206116.8580 17583.2312 0.0000 0.0000 34363.5226 -149272.7573 300.1052 -183636.2799 -149174.9088 299.1070 -168.5862 -138.8054 558588.0919 5.0206 4.8511 PRESSURE: 3886600 -143.028 -9.60209 -64.3469 -9.60097 86.1216 -112.798 -64.3474 -112.797 2.77141 GPRESSURE: 3886600 -90.6737 -38.56 -51.3509 -33.6022 128.106 -126.085 -94.014 -104.185 3.72861 PRESSAVG: 3886600 28.3393 5.91215 20.5207 5.91206 -26.1003 34.9268 20.5206 34.9268 -23.7842 GPRESSAVG: 3886600 27.3788 6.81449 22.6321 5.4064 -25.0526 33.6347 20.8716 34.347 -23.8605 TIMING: 3886600 CPU: 11650.2, 0.00301386/step Wall: 11650.2, 0.00301386/step, 0.932121 hours remaining, 207.429688 MB of memory in use. ENERGY: 3886600 746.7605 2104.3841 1930.8285 112.8167 -205914.2720 17733.8114 0.0000 0.0000 34131.4798 -149154.1910 298.0787 -183285.6708 -149057.4652 299.1357 -18.0450 13.7204 558236.2910 -7.1817 -7.1781 PRESSURE: 3886800 -181.485 -0.653834 55.3567 -0.654085 140.516 -74.9416 55.357 -74.9423 -80.0545 GPRESSURE: 3886800 -94.3324 9.66138 -37.2906 53.447 107.253 -19.2789 109.764 -115.94 -56.7471 PRESSAVG: 3886800 55.7336 -4.70159 56.9381 -4.70156 -44.1523 -26.8767 56.938 -26.8767 18.4035 GPRESSAVG: 3886800 57.4146 -6.36564 52.9823 -4.69047 -45.541 -24.7341 59.1685 -27.1637 18.5916 TIMING: 3886800 CPU: 11650.8, 0.00303739/step Wall: 11650.8, 0.00303739/step, 0.93923 hours remaining, 207.429688 MB of memory in use. ENERGY: 3886800 737.2947 2036.7013 1945.8536 127.1935 -205734.9334 17603.9596 0.0000 0.0000 34388.2604 -148895.6702 300.3212 -183283.9306 -148795.2185 300.2646 -40.3412 -14.6087 558999.5395 9.9949 10.1551 PRESSURE: 3887000 -351.804 -9.2419 -37.0538 -9.24145 -90.9946 46.0911 -37.0546 46.0912 -30.0085 GPRESSURE: 3887000 -304.477 14.8208 -98.5967 71.2167 -46.4237 39.4968 -24.906 131.993 -35.1792 PRESSAVG: 3887000 -27.631 -31.8246 13.0101 -31.8245 38.9634 -24.0101 13.0101 -24.0099 1.1191 GPRESSAVG: 3887000 -27.9287 -30.4601 13.7836 -32.1961 39.251 -22.3598 12.2296 -25.8776 1.09031 TIMING: 3887000 CPU: 11651.5, 0.00304881/step Wall: 11651.5, 0.00304881/step, 0.942589 hours remaining, 207.429688 MB of memory in use. ENERGY: 3887000 744.3857 2074.6234 1937.5308 104.6710 -205600.2195 17510.9922 0.0000 0.0000 34464.7417 -148763.2747 300.9892 -183228.0164 -148670.9682 300.6779 -157.6025 -128.6934 558165.4871 4.1505 4.1375 PRESSURE: 3887200 5.85639 -25.8453 28.2603 -25.845 -16.6474 -121.31 28.261 -121.31 -85.8584 GPRESSURE: 3887200 42.891 69.8214 -1.95308 -121.422 37.6338 -136.355 87.9756 -206.313 -83.5318 PRESSAVG: 3887200 24.949 -80.8286 45.7668 -80.8286 24.4735 -22.2231 45.7667 -22.2231 -29.4997 GPRESSAVG: 3887200 24.5218 -81.5488 46.3675 -80.814 24.0534 -25.2232 45.48 -20.5902 -28.0404 TIMING: 3887200 CPU: 11652.1, 0.00306207/step Wall: 11652.1, 0.00306207/step, 0.946521 hours remaining, 207.429688 MB of memory in use. ENERGY: 3887200 775.6764 2078.2187 1937.6873 111.7312 -205873.3842 17764.2649 0.0000 0.0000 34294.3425 -148911.4631 299.5010 -183205.8056 -148810.8582 300.3241 -32.2165 -1.0023 559276.5008 6.6409 6.8449 PRESSURE: 3887400 -265.583 199.382 69.4988 199.381 -65.8522 34.5865 69.4991 34.5874 -265.732 GPRESSURE: 3887400 -211.552 136.077 88.1236 261.471 -46.7897 55.8646 -22.7426 -62.7539 -249.381 PRESSAVG: 3887400 -50.4154 -22.1928 25.7323 -22.1929 47.3272 -50.335 25.7323 -50.3351 2.33386 GPRESSAVG: 3887400 -49.1351 -23.6051 25.6021 -19.3961 47.4869 -48.4821 24.95 -50.8332 0.892263 TIMING: 3887400 CPU: 11652.7, 0.00303968/step Wall: 11652.7, 0.00303968/step, 0.93943 hours remaining, 207.429688 MB of memory in use. ENERGY: 3887400 766.3985 2045.6941 1942.0245 109.6038 -206092.5270 17663.4113 0.0000 0.0000 34402.8055 -149162.5894 300.4483 -183565.3949 -149068.9627 299.7949 -199.0559 -169.2409 557654.2140 -0.2514 -0.2520 PRESSURE: 3887600 -70.1784 3.71197 29.166 3.71105 24.3481 -183.664 29.1657 -183.664 -149.827 GPRESSURE: 3887600 -35.7968 39.0534 -28.9479 -6.16499 48.731 -213.602 165.45 -244.807 -117.403 PRESSAVG: 3887600 -110.117 22.9561 15.8713 22.956 36.6306 -21.3859 15.8713 -21.3859 86.691 GPRESSAVG: 3887600 -110.143 22.7663 15.1937 21.2214 36.6222 -20.0639 15.7142 -21.933 86.9262 TIMING: 3887600 CPU: 11653.3, 0.00304525/step Wall: 11653.3, 0.00304525/step, 0.940982 hours remaining, 207.429688 MB of memory in use. ENERGY: 3887600 679.3036 2103.2197 1937.1813 97.3991 -205554.3977 17478.6979 0.0000 0.0000 34177.2666 -149081.3295 298.4786 -183258.5961 -148981.9067 299.6770 -65.2190 -34.8230 558588.6499 4.4016 4.4684 PRESSURE: 3887800 -11.6556 -169.239 27.0957 -169.238 263.736 39.5201 27.0966 39.5178 -38.7783 GPRESSURE: 3887800 58.0131 -110.983 49.9202 -106.692 232.439 52.2832 -6.08451 66.0364 14.3789 PRESSAVG: 3887800 -61.3057 -9.14027 40.3804 -9.14028 5.69832 -27.0225 40.3804 -27.0224 42.269 GPRESSAVG: 3887800 -62.3712 -8.11388 40.6884 -9.25843 6.67864 -28.4393 40.7924 -27.5116 41.914 TIMING: 3887800 CPU: 11653.9, 0.00304744/step Wall: 11653.9, 0.00304744/step, 0.94149 hours remaining, 207.429688 MB of memory in use. ENERGY: 3887800 746.5117 2054.2984 1943.3764 107.8672 -206242.7076 17964.8303 0.0000 0.0000 34293.2762 -149132.5474 299.4917 -183425.8236 -149038.9747 299.6680 71.1006 101.6104 558030.4480 -4.4461 -4.5929 PRESSURE: 3888000 220.4 89.2055 -103.592 89.2072 -134.142 66.1023 -103.592 66.1026 77.6738 GPRESSURE: 3888000 235.729 138.129 -118.531 61.9666 -121.49 123.71 -62.3027 37.9173 134.156 PRESSAVG: 3888000 -54.3649 -5.09 39.6413 -5.08997 29.1347 57.7797 39.6412 57.7798 23.6078 GPRESSAVG: 3888000 -53.5348 -6.43122 39.6246 -4.54637 27.9511 57.567 39.3486 58.2998 24.1369 TIMING: 3888000 CPU: 11654.5, 0.00305586/step Wall: 11654.5, 0.00305586/step, 0.943922 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: 3888000 757.3188 2074.0556 1924.7210 118.8253 -206220.8212 17898.7769 0.0000 0.0000 34291.1517 -149155.9718 299.4732 -183447.1235 -149065.7070 299.1826 54.6437 82.7983 557839.6143 -0.5408 -0.4823 PRESSURE: 3888200 -115.266 45.281 -42.1311 45.2798 -109.015 25.5209 -42.1305 25.5215 147.306 GPRESSURE: 3888200 -150.608 13.5019 -64.6236 29.6583 -29.9678 -2.03202 -72.7502 29.1737 197.008 PRESSAVG: 3888200 21.2404 31.5662 9.00998 31.5661 -5.6613 6.30642 9.01008 6.30639 -1.88422 GPRESSAVG: 3888200 19.0532 32.0824 8.18525 30.7642 -4.27827 6.01829 8.82586 7.38724 -1.26873 TIMING: 3888200 CPU: 11655.1, 0.00303938/step Wall: 11655.1, 0.00303938/step, 0.938663 hours remaining, 207.687500 MB of memory in use. ENERGY: 3888200 703.9382 2025.6146 1945.4047 107.6203 -205985.7265 17780.8265 0.0000 0.0000 34362.5587 -149059.7634 300.0968 -183422.3221 -148956.4718 300.0651 -25.6585 5.4774 558237.4320 4.5650 4.5021 LDB: ============= START OF LOAD BALANCING ============== 11658.5 LDB: ============== END OF LOAD BALANCING =============== 11658.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11658.6 LDB: ============= START OF LOAD BALANCING ============== 11658.9 LDB: Largest compute 4822 load 0.022637 is 19.2% of average load 0.118201 LDB: Average compute 0.001737 is 1.5% of average load 0.118201 LDB: TIME 11658.9 LOAD: AVG 0.118201 MAX 0.217909 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 11658.9 LOAD: AVG 0.118201 MAX 0.217909 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.66 MB LDB: TIME 11658.9 LOAD: AVG 0.118201 MAX 0.217909 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11658.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11658.9 PRESSURE: 3888400 -122.176 -129.131 -48.6693 -129.131 -151.92 93.703 -48.6706 93.7013 -3.81157 GPRESSURE: 3888400 -96.5494 -115.071 -45.839 -100.825 -91.2654 64.8876 -53.5104 68.5531 8.6736 PRESSAVG: 3888400 -15.4453 -3.1681 32.9894 -3.16818 37.8581 -64.5986 32.9894 -64.5988 -3.22113 GPRESSAVG: 3888400 -13.8729 -4.27062 32.9789 -1.08762 37.4615 -64.7501 32.0919 -65.2857 -4.20751 TIMING: 3888400 CPU: 11655.7, 0.0031278/step Wall: 11655.7, 0.0031278/step, 0.965796 hours remaining, 206.714844 MB of memory in use. ENERGY: 3888400 751.4557 2122.6475 1943.3705 112.8702 -205848.1954 17640.6597 0.0000 0.0000 34238.3824 -149038.8094 299.0123 -183277.1917 -148950.5202 299.3598 -92.6358 -59.7137 558494.8885 6.3972 6.4604 PRESSURE: 3888600 -10.9795 -26.9853 -39.0724 -26.9855 22.6911 -146.118 -39.0729 -146.119 187.832 GPRESSURE: 3888600 -17.9037 -131.609 94.085 26.6509 72.5485 -156.579 -134.919 -49.1984 241.603 PRESSAVG: 3888600 -41.7089 4.28542 -29.1002 4.28553 -14.7788 8.75164 -29.1002 8.75158 1.67952 GPRESSAVG: 3888600 -41.3326 7.55252 -28.8481 1.46164 -15.9687 10.506 -29.1039 7.73213 2.44599 TIMING: 3888600 CPU: 11656.4, 0.00305657/step Wall: 11656.4, 0.00305657/step, 0.943632 hours remaining, 206.917969 MB of memory in use. ENERGY: 3888600 728.1537 2043.2413 1947.7123 104.1885 -205985.9380 17906.3722 0.0000 0.0000 34289.3845 -148966.8855 299.4577 -183256.2700 -148867.6968 298.8183 66.5145 98.7492 558413.5259 -18.2694 -18.2851 PRESSURE: 3888800 105.386 122.979 111.968 122.979 247.055 87.257 111.969 87.2555 104.408 GPRESSURE: 3888800 172.136 -21.9871 94.1425 147.556 245.915 125.457 84.1167 -50.0786 130.491 PRESSAVG: 3888800 18.6653 24.2571 -32.5051 24.2571 36.0717 -29.005 -32.5052 -29.005 -3.33285 GPRESSAVG: 3888800 18.5087 20.776 -30.7729 28.413 37.7411 -30.5763 -33.0971 -28.2642 -4.99349 TIMING: 3888800 CPU: 11657, 0.00304316/step Wall: 11657, 0.00304316/step, 0.939322 hours remaining, 206.917969 MB of memory in use. ENERGY: 3888800 750.4443 2117.2473 1944.0699 124.8243 -206263.2935 18020.8359 0.0000 0.0000 34349.3039 -148956.5680 299.9810 -183305.8719 -148864.4591 298.8870 152.2827 182.8474 558542.1461 17.1347 17.0854 PRESSURE: 3889000 -152.383 97.1538 61.2696 97.1546 -101.183 -46.0799 61.2691 -46.08 -86.5926 GPRESSURE: 3889000 -52.4945 180.749 141.081 154.798 -105.495 -5.18624 124.969 0.202813 -68.465 PRESSAVG: 3889000 15.7854 12.7503 41.413 12.7502 8.72199 -58.0705 41.4129 -58.0704 5.82651 GPRESSAVG: 3889000 15.7883 16.3116 40.3401 8.71155 7.32488 -59.2106 41.4153 -55.318 7.79031 TIMING: 3889000 CPU: 11657.6, 0.00305598/step Wall: 11657.6, 0.00305598/step, 0.94311 hours remaining, 206.917969 MB of memory in use. ENERGY: 3889000 763.0428 2104.1769 1944.6767 127.0490 -205947.5269 17724.1952 0.0000 0.0000 34291.0716 -148993.3148 299.4725 -183284.3864 -148903.0195 300.0659 -113.3860 -75.4847 559290.8887 10.1113 10.3012 PRESSURE: 3889200 -151.127 11.1684 -16.9526 11.168 -171.878 -119.47 -16.9524 -119.472 -43.9127 GPRESSURE: 3889200 -126.794 -18.6949 -65.9101 3.67484 -150.3 -59.7343 82.3261 -242.389 10.138 PRESSAVG: 3889200 29.8207 -14.6421 35.4129 -14.6421 -56.7751 5.10256 35.4129 5.10261 27.2675 GPRESSAVG: 3889200 29.0141 -17.188 36.9267 -11.0289 -55.6654 5.68188 35.8219 4.60889 27.1948 TIMING: 3889200 CPU: 11658.2, 0.003079/step Wall: 11658.2, 0.003079/step, 0.950043 hours remaining, 206.917969 MB of memory in use. ENERGY: 3889200 732.7412 2102.6454 1947.9486 107.9068 -206117.4350 17657.9191 0.0000 0.0000 34417.6737 -149150.6003 300.5781 -183568.2739 -149051.5084 300.1346 -122.3059 -88.9852 557682.2773 0.1044 0.1812 PRESSURE: 3889400 123.691 112.79 -191.986 112.79 452.08 -36.4976 -191.986 -36.4982 -12.9828 GPRESSURE: 3889400 157.67 61.0824 -38.2377 142.171 452.885 -83.3898 -217.483 -3.68841 42.5698 PRESSAVG: 3889400 -19.6925 10.9783 33.7975 10.9782 6.19579 -0.814907 33.7976 -0.814921 53.7855 GPRESSAVG: 3889400 -19.637 12.5655 32.7445 8.908 6.46153 -0.812538 36.4245 -3.13013 54.1571 TIMING: 3889400 CPU: 11658.8, 0.00306483/step Wall: 11658.8, 0.00306483/step, 0.945501 hours remaining, 206.917969 MB of memory in use. ENERGY: 3889400 753.7360 2112.4392 1953.3312 126.8445 -206326.7994 18029.9055 0.0000 0.0000 34351.4552 -148999.0877 299.9998 -183350.5429 -148906.1142 299.8264 187.5959 217.7082 555847.3837 13.4296 13.6605 PRESSURE: 3889600 -41.7392 75.361 74.938 75.3608 -60.4904 -76.7906 74.937 -76.791 87.9887 GPRESSURE: 3889600 -8.06811 52.2721 60.9716 103.001 -38.0027 45.8254 37.5323 -48.8487 117.072 PRESSAVG: 3889600 -84.1871 7.92243 29.5204 7.9224 78.3363 -2.14819 29.5204 -2.14832 17.7714 GPRESSAVG: 3889600 -81.7394 7.57522 29.3441 8.45323 77.0054 -1.6662 27.936 -1.34308 16.6848 TIMING: 3889600 CPU: 11659.4, 0.00307048/step Wall: 11659.4, 0.00307048/step, 0.947073 hours remaining, 206.917969 MB of memory in use. ENERGY: 3889600 755.2718 2087.4958 1977.7321 123.0196 -206001.1264 17638.7896 0.0000 0.0000 34415.2917 -149003.5257 300.5573 -183418.8174 -148899.5905 298.9124 -4.7470 23.6672 556552.0928 3.9735 3.9836 PRESSURE: 3889800 -160.862 -71.1634 -31.7721 -71.162 85.0708 -73.0561 -31.7716 -73.0545 118.07 GPRESSURE: 3889800 -164.414 3.51172 -69.8263 -110.244 38.3449 -76.6243 5.87219 -114.017 252.923 PRESSAVG: 3889800 -51.5577 20.0761 -23.7634 20.0761 12.3741 -15.9427 -23.7635 -15.9427 57.5763 GPRESSAVG: 3889800 -52.6895 20.2592 -23.0904 18.9865 12.6107 -17.7121 -25.1812 -15.1546 58.9225 TIMING: 3889800 CPU: 11660, 0.00305898/step Wall: 11660, 0.00305898/step, 0.943356 hours remaining, 206.917969 MB of memory in use. ENERGY: 3889800 750.7342 2133.2491 1944.8469 118.4018 -206098.1656 17829.6316 0.0000 0.0000 34356.0409 -148965.2610 300.0399 -183321.3019 -148871.7214 299.7070 14.0929 42.2848 557059.9262 6.1309 6.2812 PRESSURE: 3890000 -74.1373 -35.5172 67.2939 -35.517 107.972 -92.3692 67.2952 -92.3686 101.365 GPRESSURE: 3890000 -21.9388 -119.122 139.634 36.7874 137.022 -111.761 9.91484 -96.995 105.622 PRESSAVG: 3890000 -45.3182 -49.0921 -0.687061 -49.0922 43.1474 -30.9374 -0.687022 -30.9374 33.529 GPRESSAVG: 3890000 -45.5265 -48.8114 -1.12049 -48.4331 44.2155 -29.2907 0.136087 -33.0833 32.9525 TIMING: 3890000 CPU: 11660.6, 0.00303328/step Wall: 11660.6, 0.00303328/step, 0.93526 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: 3890000 777.7435 2077.9523 1944.2363 102.0440 -205925.1172 17928.8687 0.0000 0.0000 34148.0129 -148946.2593 298.2231 -183094.2722 -148846.9284 299.4930 45.0667 73.5683 557462.5201 10.4527 10.5472 PRESSURE: 3890200 -53.4373 -93.8558 -145.304 -93.8564 211.415 -94.6131 -145.304 -94.6142 -84.6132 GPRESSURE: 3890200 41.9791 -46.6834 -63.5385 -95.7136 193.124 -35.665 -80.618 -113.581 -62.5816 PRESSAVG: 3890200 -34.1421 23.5181 -38.1637 23.518 -4.27024 24.1631 -38.1636 24.1632 25.6266 GPRESSAVG: 3890200 -33.4357 20.5596 -37.874 24.6317 -4.89151 23.2132 -40.0616 26.7455 25.8879 TIMING: 3890200 CPU: 11661.2, 0.00303247/step Wall: 11661.2, 0.00303247/step, 0.934842 hours remaining, 206.917969 MB of memory in use. ENERGY: 3890200 781.3669 2090.2108 1945.4901 102.5533 -206108.5291 17708.8823 0.0000 0.0000 34483.0087 -148997.0169 301.1487 -183480.0257 -148885.9390 300.3182 24.4549 57.5073 556769.4339 -4.2619 -4.1464 PRESSURE: 3890400 -135.809 -184.199 202.274 -184.199 74.6703 -157.241 202.275 -157.24 -0.964796 GPRESSURE: 3890400 -149.469 -173.654 164.601 -176.831 149.062 -178.414 208.679 -125.035 37.4977 PRESSAVG: 3890400 20.2203 -6.93094 -35.5385 -6.93094 24.8009 18.1644 -35.5385 18.1643 -55.2162 GPRESSAVG: 3890400 20.8843 -5.25327 -37.408 -8.13362 23.8616 17.094 -33.519 18.5402 -54.5132 TIMING: 3890400 CPU: 11661.9, 0.00306177/step Wall: 11661.9, 0.00306177/step, 0.943706 hours remaining, 206.917969 MB of memory in use. ENERGY: 3890400 748.4105 2091.1491 1916.6289 107.4167 -206119.6148 17797.9589 0.0000 0.0000 34179.7139 -149278.3369 298.4999 -183458.0508 -149180.6895 299.7982 -20.7010 12.3633 557592.5881 -3.3983 -3.2558 PRESSURE: 3890600 122.651 6.68592 -128.274 6.68624 -10.8186 66.6242 -128.274 66.625 20.1919 GPRESSURE: 3890600 185.514 -25.3502 -160.027 -30.6207 -42.5967 153.469 -117.048 10.1109 87.9491 PRESSAVG: 3890600 -2.77707 38.8993 -81.6116 38.8993 8.09244 -24.9262 -81.6116 -24.9262 -6.78209 GPRESSAVG: 3890600 -2.53476 39.8582 -80.8434 39.5752 8.6954 -21.5215 -80.6016 -27.0655 -7.16173 TIMING: 3890600 CPU: 11662.5, 0.00306005/step Wall: 11662.5, 0.00306005/step, 0.943006 hours remaining, 206.917969 MB of memory in use. ENERGY: 3890600 734.7598 2086.7252 1932.8317 112.9667 -206505.1620 17953.3943 0.0000 0.0000 34229.1079 -149455.3765 298.9313 -183684.4843 -149364.6728 299.0404 44.0079 76.9554 556950.4516 -0.4889 -0.3337 PRESSURE: 3890800 90.8145 24.3385 -59.855 24.338 55.5211 -176.652 -59.8563 -176.652 -110.536 GPRESSURE: 3890800 63.4256 82.1319 -163.607 -43.8019 81.8847 -137.564 -82.2813 -116.712 -14.1214 PRESSAVG: 3890800 3.50723 8.78401 -69.9227 8.7841 -9.89922 -6.75507 -69.9226 -6.75493 -21.329 GPRESSAVG: 3890800 3.63376 8.64311 -67.9581 8.86347 -8.96559 -8.72832 -71.6053 -7.69218 -22.7119 TIMING: 3890800 CPU: 11663.1, 0.00305537/step Wall: 11663.1, 0.00305537/step, 0.941393 hours remaining, 206.917969 MB of memory in use. ENERGY: 3890800 748.9115 2116.5821 1941.8682 109.5438 -206240.8740 17747.3976 0.0000 0.0000 34179.6710 -149396.8998 298.4996 -183576.5707 -149306.5606 298.5807 11.9331 43.7296 556576.0571 -9.2403 -9.3479 PRESSURE: 3891000 -141.068 -125.206 196.61 -125.204 -146.726 43.7435 196.61 43.7433 185.887 GPRESSURE: 3891000 -114.394 -115.912 207.549 -111.859 -143.267 29.1534 123.285 65.5069 263.408 PRESSAVG: 3891000 -21.7315 -2.06918 -10.5798 -2.06924 -10.8232 26.2227 -10.5799 26.2227 23.3489 GPRESSAVG: 3891000 -22.2891 -2.84336 -11.5352 -3.12776 -10.8293 26.3866 -10.338 27.4517 24.1033 TIMING: 3891000 CPU: 11663.7, 0.00303646/step Wall: 11663.7, 0.00303646/step, 0.9354 hours remaining, 206.917969 MB of memory in use. ENERGY: 3891000 724.6840 2115.8173 1958.8436 119.3917 -206246.3844 17763.3649 0.0000 0.0000 34192.8668 -149371.4160 298.6148 -183564.2829 -149277.1911 299.2144 -33.9689 1.9158 557157.8850 -3.0686 -3.0050 PRESSURE: 3891200 -306.91 162.634 190.528 162.633 49.6181 -35.1743 190.528 -35.172 135.848 GPRESSURE: 3891200 -243.728 179.137 166.543 54.2061 55.4231 -111.369 134.672 23.6813 174.974 PRESSAVG: 3891200 -13.9621 68.9099 67.2264 68.9098 10.16 22.6555 67.2264 22.6555 62.2459 GPRESSAVG: 3891200 -13.7472 68.9928 66.4268 68.7738 10.2651 23.4997 67.8158 19.8785 62.5364 TIMING: 3891200 CPU: 11664.3, 0.00302076/step Wall: 11664.3, 0.00302076/step, 0.930393 hours remaining, 206.917969 MB of memory in use. ENERGY: 3891200 741.7136 2080.4837 1956.2185 108.2146 -206134.0848 17732.8847 0.0000 0.0000 33994.3304 -149520.2394 296.8809 -183514.5697 -149433.0747 298.9608 -40.4814 -4.4437 555866.2913 19.4813 19.6848 PRESSURE: 3891400 -24.0375 77.8657 -17.0945 77.8647 59.3946 33.967 -17.0939 33.965 -14.4147 GPRESSURE: 3891400 -46.135 57.7932 -22.1101 131.587 93.7755 63.3344 -62.1632 31.2949 71.8376 PRESSAVG: 3891400 -40.2221 54.2205 18.1604 54.2205 -42.6183 24.5747 18.1604 24.5747 91.8491 GPRESSAVG: 3891400 -41.3942 54.0393 19.3566 54.8114 -42.1247 24.1114 17.9418 27.48 92.4907 TIMING: 3891400 CPU: 11664.9, 0.00303106/step Wall: 11664.9, 0.00303106/step, 0.933398 hours remaining, 206.917969 MB of memory in use. ENERGY: 3891400 777.2721 2079.0701 1931.7998 113.2537 -206825.9786 18099.1364 0.0000 0.0000 34223.5402 -149601.9063 298.8827 -183825.4465 -149503.1410 298.0704 6.9808 39.8260 556565.6643 3.0029 2.9906 PRESSURE: 3891600 -40.9477 -183.449 -95.0639 -183.448 -194.133 -89.4078 -95.0655 -89.4077 -20.6528 GPRESSURE: 3891600 4.20524 -50.9765 -25.1442 -251.133 -169.27 -111.972 -147.824 -23.0839 11.2779 PRESSAVG: 3891600 -50.2617 28.3928 -35.3516 28.3928 -4.07101 37.706 -35.3516 37.7059 43.3263 GPRESSAVG: 3891600 -50.3866 30.0214 -36.5607 26.8297 -2.54116 37.9924 -34.5117 38.1377 42.3392 TIMING: 3891600 CPU: 11665.5, 0.00302682/step Wall: 11665.5, 0.00302682/step, 0.931925 hours remaining, 206.917969 MB of memory in use. ENERGY: 3891600 752.2318 2085.6552 1919.8626 106.5090 -206272.1660 17669.4673 0.0000 0.0000 34044.1999 -149694.2402 297.3165 -183738.4401 -149599.3704 297.9734 -85.2445 -51.2621 556588.3334 -3.6688 -3.5295 PRESSURE: 3891800 175.516 -143.208 80.8178 -143.209 -193.229 25.9291 80.817 25.9291 83.6454 GPRESSURE: 3891800 198.865 -114.474 99.5401 -135.062 -139.847 32.7462 44.1715 42.5194 104.897 PRESSAVG: 3891800 -45.2774 -17.1556 -8.20005 -17.1557 -30.691 9.88115 -8.19995 9.88115 36.6794 GPRESSAVG: 3891800 -44.8629 -19.3374 -8.31655 -15.1824 -31.0159 9.62517 -9.30151 10.2502 36.1092 TIMING: 3891800 CPU: 11666.1, 0.00303266/step Wall: 11666.1, 0.00303266/step, 0.933554 hours remaining, 207.121094 MB of memory in use. ENERGY: 3891800 743.2330 2112.8380 1917.1010 109.7041 -206500.3626 17966.0675 0.0000 0.0000 34136.6056 -149514.8134 298.1235 -183651.4190 -149416.5155 298.1077 21.9772 54.6379 557879.5334 -13.0963 -13.2565 PRESSURE: 3892000 127.548 112.969 13.3118 112.968 237.537 137.801 13.3107 137.803 15.9709 GPRESSURE: 3892000 151.779 61.7988 85.8099 98.4951 282.826 124.322 12.4976 100.834 26.0189 PRESSAVG: 3892000 59.2497 40.1394 10.3219 40.1394 -39.6818 27.294 10.3219 27.2941 -16.2522 GPRESSAVG: 3892000 59.692 41.8823 11.7092 39.7679 -39.7756 28.383 10.3893 26.0715 -15.9729 TIMING: 3892000 CPU: 11666.7, 0.0030215/step Wall: 11666.7, 0.0030215/step, 0.92995 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: 3892000 696.3747 2089.9263 1920.8670 115.8234 -206682.4845 17989.5252 0.0000 0.0000 34268.0318 -149601.9360 299.2712 -183869.9678 -149499.6116 298.2873 127.0187 153.5415 556874.9111 1.1052 1.3145 PRESSURE: 3892200 -198.409 -94.3084 -112.169 -94.3096 -118.516 -84.8255 -112.169 -84.8264 37.5908 GPRESSURE: 3892200 -154.573 11.8428 -131.715 -106.227 -79.9997 -148.92 -211.876 -8.15636 56.0315 PRESSAVG: 3892200 13.7067 37.0473 -53.2968 37.0473 22.3936 17.1221 -53.2968 17.1221 -39.6533 GPRESSAVG: 3892200 14.1631 36.9393 -55.4576 37.8905 21.7343 16.7553 -52.6938 16.2042 -39.959 TIMING: 3892200 CPU: 11667.3, 0.00302969/step Wall: 11667.3, 0.00302969/step, 0.932302 hours remaining, 207.121094 MB of memory in use. ENERGY: 3892200 746.2379 2117.0556 1918.5787 119.2278 -206211.9493 17688.2397 0.0000 0.0000 34235.5158 -149387.0939 298.9873 -183622.6097 -149290.3680 298.8030 -93.1112 -59.5138 556077.6702 -1.1843 -1.3539 LDB: ============= START OF LOAD BALANCING ============== 11670.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11670.7 LDB: =============== DONE WITH MIGRATION ================ 11670.7 LDB: ============= START OF LOAD BALANCING ============== 11671 LDB: Largest compute 4820 load 0.021567 is 18.3% of average load 0.118033 LDB: Average compute 0.001739 is 1.5% of average load 0.118033 LDB: TIME 11671.1 LOAD: AVG 0.118033 MAX 0.213219 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.457 MB LDB: TIME 11671.1 LOAD: AVG 0.118033 MAX 0.213219 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: TIME 11671.1 LOAD: AVG 0.118033 MAX 0.213219 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11671.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11671.1 PRESSURE: 3892400 99.6314 -66.3815 66.1588 -66.3816 303.377 173.626 66.1601 173.627 -79.4374 GPRESSURE: 3892400 218.519 -43.7394 137.627 -164.77 240.483 138.9 49.7177 112.658 -36.7048 PRESSAVG: 3892400 2.81621 8.68974 0.375343 8.6898 29.364 47.7343 0.375284 47.7342 -49.309 GPRESSAVG: 3892400 2.37515 7.76842 2.19188 8.37665 29.3883 50.1238 -0.695652 47.4909 -48.9643 TIMING: 3892400 CPU: 11667.9, 0.00307457/step Wall: 11667.9, 0.00307457/step, 0.945942 hours remaining, 206.773438 MB of memory in use. ENERGY: 3892400 721.4866 2144.1689 1919.0305 127.2407 -206306.8589 18039.4164 0.0000 0.0000 34051.1320 -149304.3838 297.3770 -183355.5158 -149203.3346 299.2028 107.8569 140.7659 555491.2980 -5.7096 -5.7336 PRESSURE: 3892600 -302.711 -123.349 87.1419 -123.349 -118.682 87.2077 87.1411 87.2073 -240.575 GPRESSURE: 3892600 -258.302 -94.4871 124.933 -91.3431 -92.7364 123.34 140.203 42.257 -216.687 PRESSAVG: 3892600 33.6439 -14.7281 -4.69398 -14.7281 31.7329 11.3848 -4.69398 11.3848 -83.0926 GPRESSAVG: 3892600 32.865 -13.6354 -5.49332 -15.8168 32.1056 9.65338 -3.53783 12.3437 -82.4339 TIMING: 3892600 CPU: 11668.5, 0.00302467/step Wall: 11668.5, 0.00302467/step, 0.930421 hours remaining, 206.976562 MB of memory in use. ENERGY: 3892600 769.7356 2174.7153 1950.0345 115.9739 -205961.9921 17479.8956 0.0000 0.0000 34245.8934 -149225.7438 299.0779 -183471.6372 -149125.4660 299.2568 -220.6562 -189.2419 557030.0851 -5.9053 -5.8211 PRESSURE: 3892800 90.5645 -75.0212 -61.5512 -75.0209 109.287 167.109 -61.55 167.108 15.9436 GPRESSURE: 3892800 87.019 -74.5696 2.29183 -55.7919 144 107.939 -74.1187 209.411 75.856 PRESSAVG: 3892800 -31.5282 46.7248 -7.98339 46.7248 36.045 65.0847 -7.98335 65.0846 -3.73292 GPRESSAVG: 3892800 -30.5397 45.76 -7.13791 49.3405 36.2486 63.5485 -8.1904 65.7024 -4.82635 TIMING: 3892800 CPU: 11669.1, 0.00303354/step Wall: 11669.1, 0.00303354/step, 0.932981 hours remaining, 206.976562 MB of memory in use. ENERGY: 3892800 732.3306 2112.9359 1899.5407 107.6272 -206448.4249 17850.5896 0.0000 0.0000 34473.6151 -149271.7857 301.0667 -183745.4009 -149178.9082 299.8778 71.9316 102.2916 556214.6644 0.2613 0.2942 PRESSURE: 3893000 47.0526 -6.30893 -176.995 -6.30912 83.2394 -82.0798 -176.995 -82.0795 67.2341 GPRESSURE: 3893000 90.2142 -59.9476 -206.34 -18.59 106.46 -154.636 -134.125 32.7536 87.4259 PRESSAVG: 3893000 65.0356 -59.1562 -49.4932 -59.1562 -28.63 50.7424 -49.4932 50.7423 -13.0294 GPRESSAVG: 3893000 65.5668 -58.6953 -51.1644 -60.2604 -29.9826 49.9582 -49.6111 49.3351 -12.3589 TIMING: 3893000 CPU: 11669.7, 0.00304707/step Wall: 11669.7, 0.00304707/step, 0.936975 hours remaining, 206.976562 MB of memory in use. ENERGY: 3893000 755.6907 2092.6543 1956.5736 104.0248 -206348.8511 17978.6541 0.0000 0.0000 34268.0597 -149193.1940 299.2715 -183461.2537 -149097.6716 300.0792 65.8420 94.7000 557701.3641 7.7921 7.7418 PRESSURE: 3893200 -30.3031 -103.503 53.2667 -103.503 -97.6679 224.182 53.2678 224.181 -117.643 GPRESSURE: 3893200 -27.3188 -130.917 41.0957 -83.1656 -31.8795 264.695 129.648 192.429 -87.7203 PRESSAVG: 3893200 54.1537 -40.2138 -57.6837 -40.2137 77.7613 -13.5657 -57.6836 -13.5657 -87.0159 GPRESSAVG: 3893200 54.3069 -40.6388 -57.1178 -40.246 78.83 -12.733 -58.0516 -13.9499 -88.3606 TIMING: 3893200 CPU: 11670.4, 0.00304342/step Wall: 11670.4, 0.00304342/step, 0.935684 hours remaining, 206.976562 MB of memory in use. ENERGY: 3893200 738.7880 2063.8815 1954.2225 115.0427 -205924.1323 17725.4392 0.0000 0.0000 34035.1216 -149291.6366 297.2372 -183326.7583 -149194.0255 299.0872 -81.8715 -48.9729 559093.0651 14.9664 14.9254 PRESSURE: 3893400 -5.96114 -85.6311 21.055 -85.6295 71.0412 100.667 21.0541 100.668 -451.696 GPRESSURE: 3893400 22.2068 -84.3925 -21.4474 -40.1132 49.761 142.879 25.5197 153.978 -350.895 PRESSAVG: 3893400 28.9186 22.121 -71.4671 22.1209 20.0829 76.6936 -71.4671 76.6935 -62.9337 GPRESSAVG: 3893400 28.4919 21.0565 -69.8587 22.4515 18.8395 77.7481 -71.4834 76.3506 -61.1534 TIMING: 3893400 CPU: 11671, 0.00304583/step Wall: 11671, 0.00304583/step, 0.936254 hours remaining, 206.976562 MB of memory in use. ENERGY: 3893400 755.0031 2081.4959 1952.1785 111.8977 -205899.9049 17769.3409 0.0000 0.0000 34152.0386 -149077.9504 298.2582 -183229.9890 -148975.9028 298.7560 -128.8720 -92.9757 559810.7402 -4.6441 -4.6073 PRESSURE: 3893600 -50.6213 142.355 40.5773 142.355 111.216 -70.4807 40.5778 -70.4827 -139.081 GPRESSURE: 3893600 -52.9018 309.685 47.3585 25.0652 131.032 -68.4807 63.9751 -99.2226 -72.9004 PRESSAVG: 3893600 38.7204 16.5353 -50.1495 16.5354 12.8302 9.17905 -50.1497 9.1789 -89.7964 GPRESSAVG: 3893600 38.4607 18.7906 -50.986 14.0556 13.8631 7.68686 -48.5389 9.92363 -90.131 TIMING: 3893600 CPU: 11671.6, 0.00306563/step Wall: 11671.6, 0.00306563/step, 0.942172 hours remaining, 206.976562 MB of memory in use. ENERGY: 3893600 755.2934 2079.1620 1933.9271 111.9066 -206115.4749 17737.7889 0.0000 0.0000 34184.3268 -149313.0702 298.5402 -183497.3970 -149211.3635 298.9200 -26.1621 1.7432 557489.0148 -12.7486 -12.6024 PRESSURE: 3893800 316.725 -41.8129 234.092 -41.8125 39.77 -26.4588 234.092 -26.4611 194.949 GPRESSURE: 3893800 390.94 29.3754 233.283 -64.8003 83.5088 -67.4355 198.63 56.4924 167.022 PRESSAVG: 3893800 33.8131 34.3776 40.1733 34.3775 -13.0658 -2.44475 40.1733 -2.44474 -5.15055 GPRESSAVG: 3893800 34.1607 32.8063 42.8355 36.2721 -13.1071 -1.86898 36.5934 -1.88755 -5.99417 TIMING: 3893800 CPU: 11672.2, 0.00305024/step Wall: 11672.2, 0.00305024/step, 0.937271 hours remaining, 206.976562 MB of memory in use. ENERGY: 3893800 731.5974 2057.9425 1920.8509 107.3989 -206356.0852 18134.0334 0.0000 0.0000 34078.1380 -149326.1241 297.6129 -183404.2621 -149232.6087 298.4060 183.8148 213.8236 558444.8741 5.1989 5.0198 PRESSURE: 3894000 -94.3654 -4.49561 125.649 -4.4954 -151.757 -104.17 125.647 -104.171 52.7383 GPRESSURE: 3894000 -69.3931 43.3925 108.834 -41.3137 -149.746 -102.51 92.6035 -117.985 104.293 PRESSAVG: 3894000 50.4648 -39.4306 -1.90234 -39.4306 -38.1866 27.333 -1.90236 27.333 -21.0196 GPRESSAVG: 3894000 49.4811 -38.1286 -4.2369 -38.907 -39.1103 28.5079 -1.1394 28.436 -18.955 TIMING: 3894000 CPU: 11672.8, 0.00304328/step Wall: 11672.8, 0.00304328/step, 0.934963 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: 3894000 725.0486 2068.0452 1974.9276 125.1601 -206265.4469 17783.4502 0.0000 0.0000 34365.4132 -149223.4020 300.1217 -183588.8152 -149120.8652 298.5258 -64.4613 -38.2821 558817.0516 -2.9138 -2.8614 PRESSURE: 3894200 -128.858 297.252 5.80352 297.251 -89.0229 39.1596 5.8022 39.1595 -191.597 GPRESSURE: 3894200 -115.777 229.059 35.0105 367.779 -21.3504 21.2233 1.11979 -40.1278 -177.82 PRESSAVG: 3894200 -59.4946 44.4769 -19.2649 44.4768 63.1168 34.7609 -19.2649 34.7609 5.12678 GPRESSAVG: 3894200 -60.608 42.0587 -18.2947 44.8215 64.048 34.7323 -18.6725 32.8313 5.31096 TIMING: 3894200 CPU: 11673.4, 0.00304682/step Wall: 11673.4, 0.00304682/step, 0.93588 hours remaining, 206.976562 MB of memory in use. ENERGY: 3894200 735.6352 2099.3097 1935.1731 106.7230 -206068.1175 17839.8947 0.0000 0.0000 34181.0025 -149170.3794 298.5112 -183351.3819 -149072.3042 299.0403 -136.4925 -104.9823 559748.5889 2.9163 2.9170 PRESSURE: 3894400 157.024 -113.877 37.5944 -113.878 -85.8959 59.9958 37.5948 59.9952 200.85 GPRESSURE: 3894400 167.884 -41.9332 8.37163 -127.267 -68.5855 121.064 -23.9944 30.0685 265.63 PRESSAVG: 3894400 -34.9379 51.1882 -4.3466 51.1882 22.2408 -14.5776 -4.34669 -14.5776 0.238474 GPRESSAVG: 3894400 -34.4704 52.4357 -3.47442 48.7932 21.8199 -17.0532 -5.09243 -11.6776 0.0554144 TIMING: 3894400 CPU: 11674, 0.00302939/step Wall: 11674, 0.00302939/step, 0.930361 hours remaining, 206.976562 MB of memory in use. ENERGY: 3894400 744.7516 2081.1580 1943.0256 104.9535 -206103.6450 17958.1102 0.0000 0.0000 34324.6867 -148946.9594 299.7660 -183271.6461 -148849.0459 299.0447 90.6593 121.6428 559215.8118 -4.1529 -4.1983 PRESSURE: 3894600 -87.7154 -66.0819 -40.0795 -66.0826 -362.926 115.505 -40.079 115.502 -221.897 GPRESSURE: 3894600 -18.1865 -99.6576 -131.466 -40.3715 -316.157 8.12892 -89.5745 164.116 -241.12 PRESSAVG: 3894600 38.4294 -26.419 -57.0003 -26.419 -90.3735 -31.4543 -57.0004 -31.4543 61.0693 GPRESSAVG: 3894600 39.9112 -25.3724 -57.172 -26.865 -91.188 -30.1476 -56.0174 -33.7754 59.7934 TIMING: 3894600 CPU: 11674.6, 0.00305897/step Wall: 11674.6, 0.00305897/step, 0.939275 hours remaining, 206.976562 MB of memory in use. ENERGY: 3894600 732.9648 2087.5130 1925.1688 105.8814 -205669.3067 17471.5527 0.0000 0.0000 34244.7435 -149101.4826 299.0679 -183346.2261 -148994.8442 299.2624 -224.1796 -191.8213 558693.5035 3.0417 2.8389 PRESSURE: 3894800 14.8267 156.556 170.12 156.557 31.1887 34.6302 170.12 34.6325 -129.255 GPRESSURE: 3894800 94.665 142.281 182.538 78.61 49.8103 58.126 127.561 55.3414 -135.916 PRESSAVG: 3894800 1.46687 -9.81256 1.49086 -9.81265 25.7511 -70.3603 1.49083 -70.3602 -17.1974 GPRESSAVG: 3894800 0.151324 -11.4734 1.93758 -8.33324 26.5379 -70.3266 2.31117 -70.8383 -16.458 TIMING: 3894800 CPU: 11675.2, 0.00306113/step Wall: 11675.2, 0.00306113/step, 0.939766 hours remaining, 206.976562 MB of memory in use. ENERGY: 3894800 745.2088 2134.7517 1936.1287 118.0217 -206095.9262 17714.3527 0.0000 0.0000 34290.4290 -149157.0337 299.4668 -183447.4627 -149061.4707 299.5230 -27.7465 2.8531 558091.4124 3.3402 3.4104 PRESSURE: 3895000 -236.366 -7.5233 -70.7203 -7.52532 12.2167 77.7884 -70.7204 77.7884 -81.8232 GPRESSURE: 3895000 -227.148 -49.1158 -89.5499 92.7143 91.6201 64.6231 -31.9027 58.1178 -69.7872 PRESSAVG: 3895000 33.0014 -47.1271 -18.311 -47.1271 30.2587 -12.0392 -18.3109 -12.0392 -38.1422 GPRESSAVG: 3895000 33.0974 -48.168 -20.2981 -45.7274 30.2678 -9.83148 -17.4622 -11.8647 -38.355 TIMING: 3895000 CPU: 11675.8, 0.00301586/step Wall: 11675.8, 0.00301586/step, 0.925702 hours remaining, 206.976562 MB of memory in use. ENERGY: 3895000 773.1147 2071.2485 1935.4624 106.9174 -206140.4115 17752.7069 0.0000 0.0000 34262.7789 -149238.1826 299.2254 -183500.9615 -149139.9959 299.5582 -101.9907 -68.4384 558255.1446 8.3726 8.3368 PRESSURE: 3895200 -213.678 -15.8749 63.0915 -15.8738 34.8963 -302.347 63.0909 -302.348 7.17472 GPRESSURE: 3895200 -222.506 48.3486 92.6986 -105.348 46.7597 -337.819 15.2035 -190.583 93.6537 PRESSAVG: 3895200 21.1649 -39.3525 -31.4416 -39.3526 10.6194 -7.46896 -31.4416 -7.46912 -33.6343 GPRESSAVG: 3895200 21.3447 -39.5101 -31.2517 -40.6632 10.6048 -8.54737 -32.8076 -6.13569 -34.1549 TIMING: 3895200 CPU: 11676.4, 0.00302653/step Wall: 11676.4, 0.00302653/step, 0.928807 hours remaining, 206.976562 MB of memory in use. ENERGY: 3895200 762.0539 2057.2897 1899.9038 125.8912 -206018.2559 17728.5460 0.0000 0.0000 34241.4259 -149203.1455 299.0389 -183444.5714 -149103.6429 298.7448 -57.2024 -27.3642 558080.0027 -0.6166 -0.7351 PRESSURE: 3895400 -114.021 17.7947 284.03 17.7952 173.525 -53.8499 284.031 -53.8473 -136.127 GPRESSURE: 3895400 -38.9458 58.4242 248.068 -3.5282 211.752 -107.52 228.848 -10.4886 -147.828 PRESSAVG: 3895400 12.0343 39.6152 2.99947 39.6151 52.7767 4.44569 2.99951 4.44558 -64.7839 GPRESSAVG: 3895400 11.7197 43.8387 2.95662 39.657 51.9065 2.90474 2.98406 5.64728 -63.0948 TIMING: 3895400 CPU: 11677.1, 0.00304908/step Wall: 11677.1, 0.00304908/step, 0.935561 hours remaining, 206.976562 MB of memory in use. ENERGY: 3895400 806.6642 2109.9626 1909.5036 112.1781 -206526.2105 18077.7148 0.0000 0.0000 34238.8199 -149271.3673 299.0161 -183510.1872 -149181.1464 299.1044 -25.5408 8.3260 557504.6660 0.0090 0.1772 PRESSURE: 3895600 -158.082 100.135 -158.068 100.136 -135.256 205.255 -158.069 205.256 -241.973 GPRESSURE: 3895600 -106.182 128.983 -150.292 71.3287 -118.287 137.433 -85.7654 197.712 -199.654 PRESSAVG: 3895600 39.9234 -11.2006 -3.00427 -11.2006 4.01257 -4.81174 -3.00425 -4.81164 -30.5248 GPRESSAVG: 3895600 41.4664 -14.2142 -2.74163 -11.5907 4.39789 -4.43691 -4.6197 -6.37975 -32.8132 TIMING: 3895600 CPU: 11677.7, 0.00306514/step Wall: 11677.7, 0.00306514/step, 0.940316 hours remaining, 206.976562 MB of memory in use. ENERGY: 3895600 766.9249 2085.3053 1931.4737 106.8860 -205929.5157 17596.1122 0.0000 0.0000 34188.6732 -149254.1405 298.5782 -183442.8137 -149158.1650 298.5629 -178.4368 -141.3743 559218.6118 4.4704 4.3504 PRESSURE: 3895800 -44.9151 142.968 -182.166 142.968 -109.696 131.64 -182.166 131.639 0.932796 GPRESSURE: 3895800 13.0384 161.137 -196.707 138.867 -63.9711 151.996 -107.641 115.871 -19.8149 PRESSAVG: 3895800 -42.0688 -41.6913 -76.3927 -41.6913 42.6803 -35.6088 -76.3928 -35.6089 10.5898 GPRESSAVG: 3895800 -42.7831 -42.3045 -75.2043 -39.587 42.3632 -32.1481 -73.7964 -36.6078 12.0168 TIMING: 3895800 CPU: 11678.3, 0.00301629/step Wall: 11678.3, 0.00301629/step, 0.925163 hours remaining, 206.976562 MB of memory in use. ENERGY: 3895800 757.1774 2094.8144 1971.4099 118.5971 -206106.6025 17615.8922 0.0000 0.0000 34388.1651 -149160.5465 300.3204 -183548.7116 -149053.8106 298.8676 -51.2260 -23.5826 557600.9741 3.7338 3.8656 PRESSURE: 3896000 -194.881 164.318 -12.9747 164.318 125.022 -43.272 -12.9751 -43.2719 -263.739 GPRESSURE: 3896000 -130.47 183.161 -71.2853 197.241 180.728 -101.049 3.53489 24.0681 -286.7 PRESSAVG: 3896000 -27.8039 7.7919 -10.8564 7.79201 25.9057 47.8079 -10.8564 47.8078 -35.7204 GPRESSAVG: 3896000 -27.4537 8.1667 -13.809 6.75719 25.3556 45.6414 -11.236 49.3364 -35.6583 TIMING: 3896000 CPU: 11678.9, 0.00305066/step Wall: 11678.9, 0.00305066/step, 0.935536 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: 3896000 778.2837 2078.6010 1947.9998 105.8616 -206338.0208 17764.7980 0.0000 0.0000 34302.2687 -149360.2079 299.5702 -183662.4766 -149260.0531 299.0939 -111.1993 -78.8140 558473.4712 -12.5395 -12.5855 PRESSURE: 3896200 242.237 -3.75919 -261.931 -3.75937 -203.443 114.849 -261.931 114.849 91.6343 GPRESSURE: 3896200 261.566 78.0514 -149.177 -62.0026 -130.564 119.338 -264.973 183.608 87.2291 PRESSAVG: 3896200 -21.2755 -39.6528 -69.422 -39.6528 30.7113 3.13702 -69.4221 3.13701 -51.2511 GPRESSAVG: 3896200 -22.2963 -37.6188 -68.0435 -41.064 31.553 2.42256 -68.3998 4.9849 -51.9522 TIMING: 3896200 CPU: 11679.5, 0.00302959/step Wall: 11679.5, 0.00302959/step, 0.928906 hours remaining, 206.976562 MB of memory in use. ENERGY: 3896200 737.7568 2101.6725 1953.3701 100.2897 -206369.0761 17850.1640 0.0000 0.0000 34123.5431 -149502.2799 298.0094 -183625.8230 -149402.1998 298.4143 43.4758 72.7438 557465.8526 -13.9384 -14.2319 LDB: ============= START OF LOAD BALANCING ============== 11682.9 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11682.9 LDB: =============== DONE WITH MIGRATION ================ 11682.9 LDB: ============= START OF LOAD BALANCING ============== 11683.2 LDB: Largest compute 4822 load 0.023561 is 20.0% of average load 0.118055 LDB: Average compute 0.001741 is 1.5% of average load 0.118055 LDB: TIME 11683.2 LOAD: AVG 0.118055 MAX 0.218008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.293 MB LDB: TIME 11683.2 LOAD: AVG 0.118055 MAX 0.218008 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.293 MB LDB: TIME 11683.2 LOAD: AVG 0.118055 MAX 0.218008 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.293 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11683.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11683.2 PRESSURE: 3896400 67.2235 -42.4576 -71.3106 -42.4581 40.528 -70.3851 -71.312 -70.3853 -160.314 GPRESSURE: 3896400 134.252 -20.8717 -85.4258 -34.3596 102.107 -86.7868 -69.4019 -101.034 -191.275 PRESSAVG: 3896400 -23.059 -25.0474 -80.1378 -25.0474 19.3318 -28.3077 -80.1379 -28.3077 -28.6264 GPRESSAVG: 3896400 -22.0147 -25.2217 -79.5539 -22.6873 20.2919 -28.797 -81.4764 -28.8173 -29.9548 TIMING: 3896400 CPU: 11680.1, 0.0031442/step Wall: 11680.1, 0.0031442/step, 0.963871 hours remaining, 205.929688 MB of memory in use. ENERGY: 3896400 729.7739 2084.8323 1944.4902 105.7084 -206307.9806 17838.3062 0.0000 0.0000 34113.2401 -149491.6295 297.9194 -183604.8696 -149400.8553 298.4680 -17.5209 15.0280 558013.4152 -10.7845 -10.5592 PRESSURE: 3896600 67.338 -59.9576 33.6666 -59.9573 81.1409 -87.7446 33.6661 -87.746 147.905 GPRESSURE: 3896600 71.3423 -63.3996 -7.04116 -84.0178 137.331 -18.9154 -9.8407 -186.318 178.731 PRESSAVG: 3896600 -1.13527 35.2338 -4.34279 35.2339 31.0955 -28.0653 -4.34285 -28.0654 -41.7866 GPRESSAVG: 3896600 -1.26262 36.0852 -4.85464 31.2609 30.4962 -24.7221 -2.88043 -30.1173 -41.1231 TIMING: 3896600 CPU: 11680.7, 0.00306626/step Wall: 11680.7, 0.00306626/step, 0.939808 hours remaining, 205.929688 MB of memory in use. ENERGY: 3896600 750.4430 2031.7320 1943.8058 112.9998 -206580.3696 18081.4206 0.0000 0.0000 34230.9677 -149429.0008 298.9476 -183659.9685 -149327.0792 298.7680 98.7946 129.1348 557674.7208 -3.9421 -3.9632 PRESSURE: 3896800 79.7166 30.7436 240.73 30.7439 -200.705 10.7575 240.731 10.7552 138.082 GPRESSURE: 3896800 144.284 66.2461 215.843 15.2058 -161.609 19.4912 343.525 56.0371 127.033 PRESSAVG: 3896800 45.0325 12.7258 44.1882 12.7258 -29.3521 32.6216 44.1883 32.6215 63.7758 GPRESSAVG: 3896800 44.1824 10.1323 43.2882 15.1303 -28.8681 30.3188 43.5057 34.1419 63.6392 TIMING: 3896800 CPU: 11681.3, 0.00306127/step Wall: 11681.3, 0.00306127/step, 0.93811 hours remaining, 205.929688 MB of memory in use. ENERGY: 3896800 736.6988 2114.8133 1941.4376 112.4895 -206450.9881 17894.6902 0.0000 0.0000 34365.4822 -149285.3765 300.1223 -183650.8588 -149182.9966 299.0575 5.6978 36.5692 557327.6030 26.4854 26.3178 PRESSURE: 3897000 -61.5357 -50.7964 -101.543 -50.7967 -36.6454 -15.2099 -101.544 -15.2103 -259.037 GPRESSURE: 3897000 -18.4924 -119.302 -93.6349 -9.60398 -43.2288 16.054 -184.32 -140.608 -206.096 PRESSAVG: 3897000 26.8446 -40.5559 56.8333 -40.5559 -71.5608 29.7515 56.8333 29.7514 44.2224 GPRESSAVG: 3897000 27.0114 -41.8038 57.1442 -39.7421 -71.549 29.6616 55.0794 28.761 44.4473 TIMING: 3897000 CPU: 11682, 0.00308042/step Wall: 11682, 0.00308042/step, 0.943808 hours remaining, 205.929688 MB of memory in use. ENERGY: 3897000 784.1922 2095.8371 1918.2306 110.2189 -206284.7467 17808.1399 0.0000 0.0000 34252.8336 -149315.2943 299.1385 -183568.1280 -149209.3587 298.7754 -119.0725 -89.2723 556754.8821 -0.1646 -0.0301 PRESSURE: 3897200 -94.5317 88.3596 -40.7299 88.36 111.518 13.2785 -40.7315 13.279 17.0929 GPRESSURE: 3897200 -29.0687 114.987 25.5291 67.7014 146.209 -24.9418 -34.9915 36.2025 3.91319 PRESSAVG: 3897200 -43.5707 -0.256783 -21.3757 -0.2568 8.92968 -46.9372 -21.3757 -46.9372 3.98593 GPRESSAVG: 3897200 -41.9988 1.9427 -20.8909 -0.688781 7.15573 -46.5482 -19.7281 -46.0315 5.07433 TIMING: 3897200 CPU: 11682.6, 0.00310688/step Wall: 11682.6, 0.00310688/step, 0.95174 hours remaining, 205.929688 MB of memory in use. ENERGY: 3897200 732.4620 2073.4416 1917.6271 110.2620 -206524.8724 17872.9895 0.0000 0.0000 34476.7402 -149341.3499 301.0939 -183818.0901 -149243.1257 299.2409 11.3598 40.3512 556534.5983 -10.2184 -9.9229 PRESSURE: 3897400 -526.785 94.7825 -2.4235 94.7817 -555.588 -29.9315 -2.42363 -29.9302 -315.303 GPRESSURE: 3897400 -456.827 97.3111 -25.3166 -0.0639347 -559.8 79.0292 -25.2706 22.3478 -283.594 PRESSAVG: 3897400 40.9099 -14.7159 -2.67404 -14.7159 -41.5508 -13.8082 -2.67406 -13.8082 10.2054 GPRESSAVG: 3897400 40.9869 -11.9961 -2.98208 -17.1024 -39.8096 -12.7196 -2.97694 -14.6199 9.34747 TIMING: 3897400 CPU: 11683.2, 0.0030657/step Wall: 11683.2, 0.0030657/step, 0.938957 hours remaining, 205.929688 MB of memory in use. ENERGY: 3897400 756.2345 2117.6602 1936.0464 108.3273 -205446.7616 17200.6924 0.0000 0.0000 34046.8694 -149280.9314 297.3398 -183327.8008 -149188.7865 299.0280 -465.8920 -433.4072 558402.7971 3.1881 3.5082 PRESSURE: 3897600 -217.58 -21.9139 20.7691 -21.9146 -236.715 123.44 20.7696 123.442 -220.308 GPRESSURE: 3897600 -161.269 30.6042 -7.76037 -48.4015 -252.955 156.823 39.6 75.9717 -163.709 PRESSAVG: 3897600 7.05001 -30.34 -24.3316 -30.3401 46.2568 17.1777 -24.3316 17.1778 -16.3814 GPRESSAVG: 3897600 6.71342 -31.8841 -25.3227 -28.4081 45.7888 17.317 -25.4123 16.3478 -15.2268 TIMING: 3897600 CPU: 11683.8, 0.00308532/step Wall: 11683.8, 0.00308532/step, 0.944794 hours remaining, 205.929688 MB of memory in use. ENERGY: 3897600 795.0283 2074.7106 1955.9901 88.0235 -205914.7586 17483.5788 0.0000 0.0000 34316.1924 -149201.2350 299.6918 -183517.4273 -149101.5627 299.6378 -224.8677 -192.6444 557446.4869 12.3085 12.4252 PRESSURE: 3897800 153.46 -99.8825 54.0988 -99.882 165.969 -86.6083 54.0971 -86.6082 214.09 GPRESSURE: 3897800 227.459 -125.351 35.7987 -116.848 226.031 -1.62552 58.7851 -115.278 184.974 PRESSAVG: 3897800 3.9218 29.0886 66.3403 29.0886 -42.1245 -29.1604 66.3403 -29.1604 7.98745 GPRESSAVG: 3897800 4.64336 30.6006 66.6073 27.4756 -41.649 -29.8803 66.3333 -28.1648 6.90108 TIMING: 3897800 CPU: 11684.4, 0.0030653/step Wall: 11684.4, 0.0030653/step, 0.938492 hours remaining, 205.929688 MB of memory in use. ENERGY: 3897800 730.0373 2047.6930 1949.8070 118.3593 -206265.0185 18034.7852 0.0000 0.0000 34205.3492 -149178.9875 298.7238 -183384.3367 -149082.5026 299.4668 177.8395 212.8215 556525.6005 -10.0717 -10.0349 PRESSURE: 3898000 -14.0271 12.3655 -133.616 12.3652 -89.6684 -10.9835 -133.616 -10.9842 153.001 GPRESSURE: 3898000 46.0156 51.9789 -65.5602 3.12423 -86.9295 41.4704 -61.285 -7.03576 181.71 PRESSAVG: 3898000 60.835 -2.5562 6.95987 -2.55609 -36.3691 24.6532 6.95983 24.6532 -28.4778 GPRESSAVG: 3898000 61.2273 -4.70393 7.40354 -1.64433 -38.1896 25.1146 8.53144 24.0973 -27.2961 TIMING: 3898000 CPU: 11685, 0.00305838/step Wall: 11685, 0.00305838/step, 0.936203 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: 3898000 765.2710 2028.7673 1958.4276 113.4497 -206344.7826 17929.2966 0.0000 0.0000 34305.9210 -149243.6494 299.6021 -183549.5704 -149149.4388 299.7109 16.4351 46.9320 556510.4822 -1.3373 -1.4195 PRESSURE: 3898200 -179.148 100.655 -31.9866 100.656 -45.6376 -105.456 -31.9862 -105.455 -194.506 GPRESSURE: 3898200 -199.661 96.0912 -122.433 95.4538 -27.8868 -157.975 12.7223 24.3864 -90.0764 PRESSAVG: 3898200 -46.6473 34.0589 11.0592 34.059 28.9394 60.6363 11.0593 60.6363 1.06606 GPRESSAVG: 3898200 -47.1877 33.5518 10.0201 33.9447 30.2251 60.8092 12.5421 63.2959 0.152289 TIMING: 3898200 CPU: 11685.6, 0.00304318/step Wall: 11685.6, 0.00304318/step, 0.931383 hours remaining, 205.929688 MB of memory in use. ENERGY: 3898200 770.0774 2055.9606 1943.6843 103.7028 -205886.3005 17442.5269 0.0000 0.0000 34300.1543 -149270.1941 299.5518 -183570.3484 -149175.4742 299.2361 -139.7640 -105.8747 556043.8170 -5.5473 -5.6034 PRESSURE: 3898400 269.135 -22.2934 61.429 -22.2921 58.7999 -30.0894 61.429 -30.0905 149.677 GPRESSURE: 3898400 284.219 73.0402 62.7038 -53.4433 78.9942 -82.2453 33.4931 -9.553 198.611 PRESSAVG: 3898400 51.872 23.2651 0.0874958 23.2651 -34.8909 -1.88422 0.0875862 -1.88428 -2.62435 GPRESSAVG: 3898400 52.8131 24.3255 -1.25861 22.0081 -36.6455 -2.53792 -0.90145 -2.96196 -2.13232 TIMING: 3898400 CPU: 11686.2, 0.00301917/step Wall: 11686.2, 0.00301917/step, 0.923865 hours remaining, 205.929688 MB of memory in use. ENERGY: 3898400 730.4621 2099.6668 1936.4472 114.0621 -206506.7995 17957.9393 0.0000 0.0000 34223.2536 -149444.9683 298.8802 -183668.2219 -149350.6667 299.3258 159.2043 187.2748 555133.4743 4.7856 4.6784 PRESSURE: 3898600 -175.607 -101.332 -5.10824 -101.334 -155.394 -20.7646 -5.10737 -20.7641 -8.75718 GPRESSURE: 3898600 -147.503 -54.2321 21.3686 -118.071 -102.751 41.0908 -62.78 -99.2057 -6.72315 PRESSAVG: 3898600 35.1105 -2.12445 20.9399 -2.12441 6.37904 19.7277 20.9398 19.7275 -22.5329 GPRESSAVG: 3898600 33.4568 -0.432032 23.2561 -1.9226 8.57518 20.3658 19.5966 17.5862 -23.0096 TIMING: 3898600 CPU: 11686.9, 0.00305109/step Wall: 11686.9, 0.00305109/step, 0.933465 hours remaining, 205.929688 MB of memory in use. ENERGY: 3898600 761.6196 2112.8150 1948.1977 108.4286 -206051.3865 17557.6807 0.0000 0.0000 34251.6296 -149311.0154 299.1280 -183562.6450 -149211.3358 299.5488 -113.2529 -85.6593 556156.4883 6.3189 6.3408 PRESSURE: 3898800 48.3032 -92.3566 106.134 -92.3558 -6.35516 -82.4578 106.133 -82.4564 -192.185 GPRESSURE: 3898800 44.5821 -114.8 118.76 -25.7273 0.553305 15.6256 61.9734 -119.748 -107.062 PRESSAVG: 3898800 -3.90632 31.9576 49.3844 31.9577 -39.4837 -0.0936507 49.3845 -0.0936378 32.1447 GPRESSAVG: 3898800 -3.38299 31.1399 50.8068 33.8177 -39.9171 0.441387 48.7708 -1.15667 32.0138 TIMING: 3898800 CPU: 11687.5, 0.00306267/step Wall: 11687.5, 0.00306267/step, 0.936835 hours remaining, 205.929688 MB of memory in use. ENERGY: 3898800 751.3383 2153.5431 1921.7338 113.3568 -206292.6372 17709.5122 0.0000 0.0000 34375.5961 -149267.5569 300.2106 -183643.1530 -149176.7527 299.8322 -50.0788 -20.6422 557028.0045 -3.7484 -3.7621 PRESSURE: 3899000 -157.589 -9.14859 11.7936 -9.14876 -314.216 32.3962 11.794 32.3951 185.138 GPRESSURE: 3899000 -127.397 21.2862 79.0897 54.2677 -258.883 114.502 -23.9549 71.6681 185.713 PRESSAVG: 3899000 20.8898 11.9623 20.5929 11.9623 21.8485 -12.2483 20.5931 -12.2483 -66.8268 GPRESSAVG: 3899000 21.8359 12.0814 17.1355 11.0968 21.73 -11.7436 21.8329 -11.3787 -67.5064 TIMING: 3899000 CPU: 11688.1, 0.00306024/step Wall: 11688.1, 0.00306024/step, 0.935922 hours remaining, 205.929688 MB of memory in use. ENERGY: 3899000 781.1288 2119.5639 1946.6029 113.0375 -206243.2547 17933.7078 0.0000 0.0000 34170.2729 -149178.9408 298.4175 -183349.2137 -149089.3281 299.1772 -95.5557 -66.8555 557825.8977 -8.0295 -7.9802 PRESSURE: 3899200 22.8826 -64.4494 135.766 -64.4494 -102.264 -90.4826 135.766 -90.4832 324.825 GPRESSURE: 3899200 141.475 -112.416 204.406 25.1979 -101.712 -135.76 172.748 -63.2686 296.284 PRESSAVG: 3899200 -8.44351 1.3501 49.9744 1.35017 -24.0409 23.2837 49.9744 23.2836 45.8992 GPRESSAVG: 3899200 -9.75232 -0.141022 51.8018 0.462531 -23.3456 22.7498 49.0767 24.9833 46.5028 TIMING: 3899200 CPU: 11688.7, 0.00306499/step Wall: 11688.7, 0.00306499/step, 0.937207 hours remaining, 205.929688 MB of memory in use. ENERGY: 3899200 741.8091 2094.2789 1972.9998 115.3348 -206186.8918 17930.2047 0.0000 0.0000 34337.7247 -148994.5400 299.8799 -183332.2647 -148901.2524 300.0595 81.8147 112.0157 557213.3975 4.4716 4.4683 PRESSURE: 3899400 -45.4073 -131.225 134.88 -131.225 -12.3465 -35.5387 134.88 -35.5392 -110.268 GPRESSURE: 3899400 -28.6181 -188.832 151.072 -65.1849 69.7091 -20.9677 125.339 33.8349 -113.542 PRESSAVG: 3899400 -65.4899 -1.72077 -66.2373 -1.72079 6.75746 -12.0902 -66.2372 -12.0902 -7.41704 GPRESSAVG: 3899400 -64.5887 -0.972557 -66.5102 -2.40682 6.98137 -11.2684 -64.1029 -12.9139 -8.14732 TIMING: 3899400 CPU: 11689.3, 0.00306127/step Wall: 11689.3, 0.00306127/step, 0.935898 hours remaining, 205.929688 MB of memory in use. ENERGY: 3899400 724.9113 2093.1176 1969.8337 113.0722 -205922.6721 17577.7001 0.0000 0.0000 34276.3742 -149167.6629 299.3441 -183444.0371 -149070.7902 299.1396 -56.0073 -24.1504 557673.0060 -22.0498 -21.9182 PRESSURE: 3899600 -135.086 -31.0013 -13.4171 -31.0011 206.704 -51.8666 -13.4176 -51.8672 -24.1303 GPRESSURE: 3899600 -61.6672 80.7608 -84.6838 -9.59099 195.054 -22.2128 12.2244 -79.2737 0.177455 PRESSAVG: 3899600 -9.31927 0.75392 -20.5832 0.753905 5.75847 20.6708 -20.5833 20.6708 2.96221 GPRESSAVG: 3899600 -9.85223 0.941223 -20.3675 0.947428 4.13854 21.4894 -23.2428 19.3801 5.08241 TIMING: 3899600 CPU: 11689.9, 0.00305581/step Wall: 11689.9, 0.00305581/step, 0.934061 hours remaining, 205.929688 MB of memory in use. ENERGY: 3899600 742.5314 2091.9199 1935.6571 108.9954 -206130.5348 17784.9965 0.0000 0.0000 34308.5771 -149157.8575 299.6253 -183466.4345 -149060.1560 299.7379 15.8291 44.5215 559268.5691 -0.1995 -0.2104 PRESSURE: 3899800 -131.536 81.2966 34.6878 81.2971 -24.0403 9.11909 34.6873 9.11822 -47.1805 GPRESSURE: 3899800 -142.672 132.155 28.3675 56.2327 -28.1886 59.5542 12.3463 -6.20811 67.9945 PRESSAVG: 3899800 -94.3789 30.0276 -20.0422 30.0276 65.3744 -11.2182 -20.0421 -11.2183 -16.3263 GPRESSAVG: 3899800 -93.4531 28.625 -21.3146 30.254 66.0189 -12.1169 -20.7572 -11.8693 -17.5512 TIMING: 3899800 CPU: 11690.5, 0.00302766/step Wall: 11690.5, 0.00302766/step, 0.925288 hours remaining, 205.929688 MB of memory in use. ENERGY: 3899800 739.6253 2168.1835 1960.8543 119.9178 -205923.4365 17665.7013 0.0000 0.0000 34268.6979 -149000.4565 299.2771 -183269.1544 -148902.4849 299.9047 -67.5857 -34.2887 558732.0365 -15.1103 -14.9951 PRESSURE: 3900000 112.752 -155.808 35.6309 -155.807 279.981 43.4164 35.6312 43.4165 -198.764 GPRESSURE: 3900000 185.292 16.0284 68.3076 -151.894 260.478 80.5274 113.712 -8.60459 -149.271 PRESSAVG: 3900000 -53.423 5.02855 -41.9638 5.02866 -6.42831 -25.7016 -41.9638 -25.7017 72.4588 GPRESSAVG: 3900000 -54.3959 6.50322 -39.5841 5.20212 -5.87325 -26.3928 -39.8914 -23.0338 72.3288 TIMING: 3900000 CPU: 11691.1, 0.00302936/step Wall: 11691.1, 0.00302936/step, 0.925639 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: 3900000 736.9980 2141.0317 1938.5212 122.3435 -206345.2547 17946.4350 0.0000 0.0000 34270.4293 -149189.4960 299.2922 -183459.9254 -149092.1589 299.8848 64.6563 98.8332 557154.4367 4.2025 4.0199 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 3900000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 3900000 WRITING COORDINATES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 3900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 3900200 16.9158 116.965 221.902 116.964 59.1001 -56.6727 221.902 -56.6722 -144.285 GPRESSURE: 3900200 65.4903 83.6195 266.815 61.9985 59.3796 -22.0005 180.183 -127.627 -104.244 PRESSAVG: 3900200 -9.26781 60.1044 49.5518 60.1043 5.55504 -20.036 49.5518 -20.0359 27.5964 GPRESSAVG: 3900200 -9.41953 58.3566 50.2577 62.5359 5.94791 -19.9655 48.6261 -18.8541 27.1777 TIMING: 3900200 CPU: 11691.8, 0.00313873/step Wall: 11691.8, 0.00313873/step, 0.958882 hours remaining, 206.054688 MB of memory in use. ENERGY: 3900200 736.2381 2090.0998 1970.1531 108.3208 -206376.7125 17829.4354 0.0000 0.0000 34398.9746 -149243.4905 300.4148 -183642.4652 -149141.8470 299.3229 -22.7563 6.8753 558250.8874 7.9612 7.9020 LDB: ============= START OF LOAD BALANCING ============== 11695.2 LDB: ============== END OF LOAD BALANCING =============== 11695.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11695.2 LDB: ============= START OF LOAD BALANCING ============== 11695.5 LDB: Largest compute 4820 load 0.022465 is 19.0% of average load 0.118090 LDB: Average compute 0.001730 is 1.5% of average load 0.118090 LDB: TIME 11695.5 LOAD: AVG 0.11809 MAX 0.215651 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.055 MB LDB: TIME 11695.5 LOAD: AVG 0.11809 MAX 0.215651 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.258 MB LDB: TIME 11695.5 LOAD: AVG 0.11809 MAX 0.215651 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.258 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11695.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11695.5 PRESSURE: 3900400 65.5762 -85.6904 79.7776 -85.6924 -191.315 72.1992 79.7776 72.1994 -200.359 GPRESSURE: 3900400 49.1843 -52.5766 6.17757 -79.0904 -158.969 144.147 163.034 -0.364312 -123.985 PRESSAVG: 3900400 -3.50054 19.3549 -8.30306 19.355 -28.6443 -5.01067 -8.30318 -5.01077 35.9987 GPRESSAVG: 3900400 -2.07378 20.0829 -10.5686 18.3744 -29.247 -3.03121 -6.19441 -7.94616 35.113 TIMING: 3900400 CPU: 11692.4, 0.00309302/step Wall: 11692.4, 0.00309302/step, 0.944746 hours remaining, 207.285156 MB of memory in use. ENERGY: 3900400 747.6057 2121.1474 1922.7948 104.1392 -206036.5962 17695.5497 0.0000 0.0000 34225.4255 -149219.9339 298.8992 -183445.3594 -149123.5272 300.1164 -108.6991 -77.9233 557716.3819 1.2846 1.2641 PRESSURE: 3900600 -14.2794 -53.0275 22.3482 -53.0268 -149.878 -31.4267 22.3474 -31.4266 -164.003 GPRESSURE: 3900600 16.6507 -34.9636 121.46 -9.31186 -100.492 -76.0263 -84.2723 14.1985 -143.351 PRESSAVG: 3900600 29.0944 38.4452 5.82698 38.4452 -4.22167 -22.473 5.82695 -22.4731 -9.32959 GPRESSAVG: 3900600 27.6774 37.0584 6.87514 39.1341 -4.80067 -23.2634 3.54037 -21.8469 -7.14258 TIMING: 3900600 CPU: 11693, 0.00304883/step Wall: 11693, 0.00304883/step, 0.93108 hours remaining, 207.285156 MB of memory in use. ENERGY: 3900600 757.2219 2145.2383 1948.5666 105.8234 -206107.6807 17630.1803 0.0000 0.0000 34240.5148 -149280.1353 299.0309 -183520.6501 -149184.9531 300.1620 -109.3868 -75.7306 557283.1847 5.1811 5.2447 PRESSURE: 3900800 28.5762 8.3584 -26.6814 8.35838 321.346 11.8103 -26.681 11.8111 24.6149 GPRESSURE: 3900800 88.5216 15.5491 6.07362 -50.8687 319.138 78.5917 -41.9514 -31.9529 72.1591 PRESSAVG: 3900800 -55.681 -8.01463 65.3641 -8.01469 42.0892 6.47404 65.3641 6.47402 52.8556 GPRESSAVG: 3900800 -55.4406 -7.39239 65.6226 -9.66985 42.4787 4.73991 63.135 8.11769 52.7389 TIMING: 3900800 CPU: 11693.6, 0.00303507/step Wall: 11693.6, 0.00303507/step, 0.926707 hours remaining, 207.285156 MB of memory in use. ENERGY: 3900800 748.4173 2132.9202 1950.3436 110.8954 -206669.1495 18147.4423 0.0000 0.0000 34390.7862 -149188.3444 300.3433 -183579.1306 -149090.2078 299.6953 124.8457 159.9396 557040.4224 13.0879 13.2590 PRESSURE: 3901000 -211.017 85.3885 0.926097 85.3875 -24.8041 -25.9186 0.925101 -25.9213 -12.6379 GPRESSURE: 3901000 -194.652 66.5699 -17.1211 180.141 49.3236 -87.891 42.7063 84.8195 -8.18639 PRESSAVG: 3901000 -74.8312 14.3143 6.69038 14.3142 -19.951 23.4431 6.69044 23.4431 72.523 GPRESSAVG: 3901000 -74.7272 17.243 6.00736 14.3504 -19.4998 25.0278 9.62003 22.4427 71.3482 TIMING: 3901000 CPU: 11694.2, 0.0030436/step Wall: 11694.2, 0.0030436/step, 0.929144 hours remaining, 207.285156 MB of memory in use. ENERGY: 3901000 773.6564 2109.3868 1962.1414 120.9585 -206047.6966 17736.5924 0.0000 0.0000 34262.5715 -149082.3896 299.2236 -183344.9611 -148981.2795 299.8819 -82.8197 -51.1715 558653.5512 -7.4197 -7.6263 PRESSURE: 3901200 -49.4486 -48.1231 39.1158 -48.1237 -259.757 117.238 39.1157 117.24 -91.972 GPRESSURE: 3901200 3.27363 -86.8634 73.2878 -97.9604 -242.764 128.602 57.3666 150.038 -62.8685 PRESSAVG: 3901200 -59.0051 20.1379 15.1411 20.1379 21.4231 39.6944 15.141 39.6945 45.5439 GPRESSAVG: 3901200 -59.2112 16.7715 18.0002 19.8337 21.2609 40.2878 14.647 38.6349 45.7389 TIMING: 3901200 CPU: 11694.8, 0.0030658/step Wall: 11694.8, 0.0030658/step, 0.935751 hours remaining, 207.285156 MB of memory in use. ENERGY: 3901200 774.7373 2133.9670 1958.9998 101.4365 -205876.7825 17621.0654 0.0000 0.0000 34140.2702 -149146.3063 298.1555 -183286.5765 -149054.8659 299.6793 -133.7259 -100.7864 559006.7676 2.6539 2.5962 PRESSURE: 3901400 24.878 107.597 86.8692 107.597 -18.0283 -42.6185 86.8698 -42.6198 -128.555 GPRESSURE: 3901400 41.2942 -32.0752 104.175 145.791 54.2895 -73.4858 95.6751 -126.577 -98.6573 PRESSAVG: 3901400 39.5434 -3.92017 63.4853 -3.9201 -2.02122 58.3385 63.4852 58.3386 -15.5846 GPRESSAVG: 3901400 41.0762 -3.97696 60.6183 -3.19255 -3.88755 56.2861 63.722 59.1003 -14.8012 TIMING: 3901400 CPU: 11695.4, 0.0030639/step Wall: 11695.4, 0.0030639/step, 0.935 hours remaining, 207.285156 MB of memory in use. ENERGY: 3901400 783.4717 2082.5477 1922.6419 115.0217 -206279.8143 17822.9473 0.0000 0.0000 34305.6722 -149247.5118 299.6000 -183553.1841 -149150.8966 299.0318 -40.5685 -1.0245 557421.6285 7.3125 7.4625 PRESSURE: 3901600 -359.297 -65.4669 -18.182 -65.4669 -91.4223 157.379 -18.181 157.378 -175.009 GPRESSURE: 3901600 -352.605 -95.1572 -24.2976 -60.164 -43.8181 178.019 -31.62 67.5624 -125.236 PRESSAVG: 3901600 39.2912 8.8378 25.2737 8.83782 10.8818 13.1143 25.2737 13.1143 -40.0865 GPRESSAVG: 3901600 37.1872 9.96161 26.862 9.1206 12.657 13.5536 24.5359 12.7241 -40.1323 TIMING: 3901600 CPU: 11696, 0.00304545/step Wall: 11696, 0.00304545/step, 0.929201 hours remaining, 207.285156 MB of memory in use. ENERGY: 3901600 755.2485 2104.3639 1938.7497 110.4496 -205989.9826 17610.5691 0.0000 0.0000 34287.6646 -149182.9372 299.4427 -183470.6018 -149081.9727 299.6596 -208.5762 -173.8865 557458.4862 3.3622 3.2373 PRESSURE: 3901800 135.073 190.026 113.705 190.027 231.991 10.6603 113.705 10.6597 70.7866 GPRESSURE: 3901800 160.789 180.079 109.167 234.21 257.312 61.8502 59.7506 55.4918 113.217 PRESSAVG: 3901800 -12.4332 4.42811 12.1901 4.42812 33.5721 39.319 12.1901 39.319 19.4835 GPRESSAVG: 3901800 -11.4633 3.28257 13.0748 3.55624 33.6685 40.9205 13.0831 39.749 18.1007 TIMING: 3901800 CPU: 11696.6, 0.00304802/step Wall: 11696.6, 0.00304802/step, 0.929817 hours remaining, 207.285156 MB of memory in use. ENERGY: 3901800 729.6110 2115.0834 1962.3599 99.6844 -206347.7503 17887.8304 0.0000 0.0000 34306.2656 -149246.9156 299.6052 -183553.1812 -149149.3862 298.8503 145.9499 177.1060 556973.0776 13.5408 13.4353 PRESSURE: 3902000 273.469 -14.215 10.6831 -14.2146 150.862 -48.9319 10.6819 -48.9296 104.994 GPRESSURE: 3902000 308.21 6.10979 29.6028 -22.5488 156.109 -75.2041 -34.5612 -33.5123 154.98 PRESSAVG: 3902000 3.53431 15.94 7.14647 15.94 5.21386 4.82173 7.14652 4.8217 18.92 GPRESSAVG: 3902000 4.1224 15.9994 5.40168 15.8786 3.0616 2.28361 8.86253 7.49363 20.6047 TIMING: 3902000 CPU: 11697.3, 0.00303457/step Wall: 11697.3, 0.00303457/step, 0.925544 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: 3902000 712.7823 2065.0270 1959.2969 112.1075 -206449.7020 18122.1391 0.0000 0.0000 34369.2057 -149109.1435 300.1548 -183478.3492 -149011.8318 298.9839 176.4416 206.4329 557295.6461 9.2227 9.2629 PRESSURE: 3902200 -108.769 72.752 -157.573 72.7528 -119.509 -163.256 -157.573 -163.256 85.9735 GPRESSURE: 3902200 -75.1784 63.6872 -185.607 142.084 -64.9785 -234.097 -66.4311 -94.2887 92.7463 PRESSAVG: 3902200 10.7205 -63.3174 -1.66127 -63.3174 -58.1424 -34.1369 -1.66133 -34.1369 56.1214 GPRESSAVG: 3902200 10.111 -62.5824 -1.20962 -62.7148 -55.9434 -33.1926 -4.46302 -37.5722 54.3094 TIMING: 3902200 CPU: 11697.9, 0.00303291/step Wall: 11697.9, 0.00303291/step, 0.92487 hours remaining, 207.285156 MB of memory in use. ENERGY: 3902200 752.5264 2080.5176 1955.7610 108.0280 -206210.4129 17866.5983 0.0000 0.0000 34207.1553 -149239.8262 298.7396 -183446.9815 -149151.1525 299.0295 -47.4348 -15.8035 558309.7278 2.8998 2.8257 PRESSURE: 3902400 22.5481 -27.7209 -148.693 -27.721 124.59 -80.673 -148.694 -80.6746 43.2909 GPRESSURE: 3902400 61.7411 -77.8553 -186.972 18.9824 155.091 -112.858 -38.5343 -108.015 59.8836 PRESSAVG: 3902400 -63.2145 -39.153 -63.3211 -39.1531 -18.3966 -16.4729 -63.3211 -16.473 80.0443 GPRESSAVG: 3902400 -63.6833 -39.8455 -63.7488 -39.0784 -18.5833 -13.8292 -62.1234 -16.651 80.6261 TIMING: 3902400 CPU: 11698.5, 0.00304596/step Wall: 11698.5, 0.00304596/step, 0.928678 hours remaining, 207.285156 MB of memory in use. ENERGY: 3902400 738.3901 2044.4532 1931.4367 107.0245 -205862.8393 17699.8270 0.0000 0.0000 34190.0698 -149151.6380 298.5904 -183341.7078 -149049.8615 299.0155 63.4763 92.2386 556503.7826 -0.5223 -0.5468 PRESSURE: 3902600 -158.71 41.9848 68.6485 41.9843 114.18 -227.067 68.6482 -227.067 78.3723 GPRESSURE: 3902600 -114.978 39.7445 -16.5511 -41.8225 133.572 -123.503 125.238 -247.806 111.353 PRESSAVG: 3902600 -71.0217 -35.771 -13.3034 -35.771 90.923 -6.13456 -13.3034 -6.13468 -25.1463 GPRESSAVG: 3902600 -69.9518 -35.2389 -13.4982 -35.3472 91.6197 -9.36462 -13.1479 -5.22106 -26.4291 TIMING: 3902600 CPU: 11699.1, 0.00304564/step Wall: 11699.1, 0.00304564/step, 0.928412 hours remaining, 207.285156 MB of memory in use. ENERGY: 3902600 732.0373 2037.1130 1935.1283 114.1227 -206012.0617 17727.4484 0.0000 0.0000 34253.9175 -149212.2945 299.1480 -183466.2119 -149114.6574 299.1490 11.2808 43.3156 557574.5444 -1.7483 -1.5871 PRESSURE: 3902800 99.1363 -27.2646 -235.216 -27.2646 36.1402 169.836 -235.217 169.836 -129.109 GPRESSURE: 3902800 162.038 -84.79 -216.102 -31.0552 33.1827 135.239 -230.922 254.687 -96.1518 PRESSAVG: 3902800 2.4808 -0.775506 -60.2433 -0.77549 23.3029 27.6219 -60.2433 27.622 -28.486 GPRESSAVG: 3902800 2.025 1.29132 -58.9428 -3.26658 21.9527 29.5757 -60.3119 25.7879 -27.1603 TIMING: 3902800 CPU: 11699.7, 0.00307035/step Wall: 11699.7, 0.00307035/step, 0.935774 hours remaining, 207.285156 MB of memory in use. ENERGY: 3902800 723.2632 2092.6594 1934.2667 101.8295 -205929.1611 17761.8381 0.0000 0.0000 34181.4959 -149133.8084 298.5155 -183315.3043 -149032.9068 299.6168 2.0560 33.0228 557161.3611 -0.9008 -1.0609 PRESSURE: 3903000 -98.1425 100.533 84.8499 100.533 38.7315 81.3573 84.8502 81.3582 -78.1673 GPRESSURE: 3903000 -65.3927 127.186 111.303 51.3186 37.1257 99.6421 49.3465 18.1778 2.0207 PRESSAVG: 3903000 30.8267 30.5809 -19.8547 30.581 -32.5463 60.3784 -19.8548 60.3784 0.278262 GPRESSAVG: 3903000 29.7324 30.6311 -21.0438 33.2853 -32.2829 59.7267 -18.9003 61.6583 1.22383 TIMING: 3903000 CPU: 11700.3, 0.00308679/step Wall: 11700.3, 0.00308679/step, 0.940614 hours remaining, 207.285156 MB of memory in use. ENERGY: 3903000 755.8678 2119.8406 1933.6350 108.8981 -206011.0931 17770.7625 0.0000 0.0000 34214.9532 -149107.1359 298.8077 -183322.0891 -149020.6522 298.9004 -45.8594 -8.7488 557380.7735 -0.4805 -0.4422 PRESSURE: 3903200 -98.4849 13.2751 49.2095 13.2733 -146.974 -0.63411 49.2094 -0.635103 -112.741 GPRESSURE: 3903200 -88.9505 -33.7915 61.8908 50.7039 -125.344 13.3743 38.0774 -18.0004 -56.495 PRESSAVG: 3903200 55.6727 -56.9655 8.14891 -56.9655 17.7961 2.49075 8.14884 2.49063 -42.1312 GPRESSAVG: 3903200 55.6292 -58.8621 7.78429 -56.6011 18.0954 -1.21382 6.9927 3.8558 -41.8704 TIMING: 3903200 CPU: 11700.9, 0.00309937/step Wall: 11700.9, 0.00309937/step, 0.944275 hours remaining, 207.285156 MB of memory in use. ENERGY: 3903200 736.2489 2074.2400 1957.8630 112.0158 -205912.9606 17547.4493 0.0000 0.0000 34141.2168 -149343.9267 298.1637 -183485.1435 -149240.7401 299.2403 -119.3999 -90.2631 558828.0064 10.4459 10.6181 PRESSURE: 3903400 20.7085 -109.692 69.4733 -109.692 -7.27263 125.104 69.4718 125.104 46.0916 GPRESSURE: 3903400 30.9632 -111.969 78.0101 -51.6883 10.6521 156.615 -6.48205 139.871 115.514 PRESSAVG: 3903400 14.2487 53.5457 16.3794 53.5456 -36.9357 -19.0659 16.3794 -19.0659 7.57806 GPRESSAVG: 3903400 14.9245 53.4246 16.3116 51.1207 -36.2937 -15.5661 16.7888 -21.2195 6.28799 TIMING: 3903400 CPU: 11701.5, 0.0030729/step Wall: 11701.5, 0.0030729/step, 0.936039 hours remaining, 207.285156 MB of memory in use. ENERGY: 3903400 741.1025 2125.1859 1951.9520 114.1845 -206523.6939 18085.7301 0.0000 0.0000 34290.6702 -149214.8687 299.4690 -183505.5388 -149112.1457 299.4570 19.8425 52.3766 558303.3829 -5.0363 -5.0271 PRESSURE: 3903600 -88.297 -21.9885 59.9113 -21.9877 94.303 180.925 59.9121 180.924 -71.0926 GPRESSURE: 3903600 -32.7906 9.59073 19.5432 -39.204 124.106 174.603 80.9041 169.367 -57.4876 PRESSAVG: 3903600 66.3979 22.563 -11.7962 22.5629 -1.8387 23.2114 -11.7962 23.2114 -91.454 GPRESSAVG: 3903600 67.2115 21.7143 -10.0182 24.7812 -2.11869 22.7869 -12.3149 23.568 -91.2104 TIMING: 3903600 CPU: 11702.2, 0.00307132/step Wall: 11702.2, 0.00307132/step, 0.935386 hours remaining, 207.285156 MB of memory in use. ENERGY: 3903600 736.8397 2108.1851 1950.5897 107.0725 -206057.1008 17814.6834 0.0000 0.0000 34187.0849 -149152.6455 298.5643 -183339.7304 -149057.8502 299.3997 -21.6956 11.2758 558480.1575 -8.9649 -8.7058 PRESSURE: 3903800 -4.78537 241.204 -87.7489 241.206 -159.362 -89.0839 -87.7484 -89.0841 -129.396 GPRESSURE: 3903800 15.4035 174.202 -170.122 215.222 -125.721 -159.165 -81.0079 -1.04283 -79.0637 PRESSAVG: 3903800 -21.7268 55.4617 -1.09357 55.4617 97.184 -47.327 -1.09361 -47.327 -36.9653 GPRESSAVG: 3903800 -20.6137 56.7856 -1.84428 54.8125 97.7539 -47.1334 -3.58779 -44.4306 -37.9843 TIMING: 3903800 CPU: 11702.8, 0.0030306/step Wall: 11702.8, 0.0030306/step, 0.922817 hours remaining, 207.285156 MB of memory in use. ENERGY: 3903800 768.7610 2140.6374 1954.3647 108.9840 -206241.0772 17702.2251 0.0000 0.0000 34256.5081 -149309.5970 299.1706 -183566.1050 -149218.2180 299.3532 -97.8476 -63.1271 557262.4741 12.8306 13.0520 PRESSURE: 3904000 -104.396 -126.178 68.6071 -126.179 76.5726 -112.163 68.6062 -112.164 240.753 GPRESSURE: 3904000 -1.86822 -193.477 80.0312 -90.7636 88.5972 -68.0126 9.60844 -102.544 228.538 PRESSAVG: 3904000 -68.536 5.33771 -11.0447 5.33763 35.0548 -61.3209 -11.0446 -61.3211 33.3644 GPRESSAVG: 3904000 -69.0954 4.62994 -10.2965 5.08924 35.3401 -62.1656 -9.12976 -63.2304 33.2333 TIMING: 3904000 CPU: 11703.4, 0.00303502/step Wall: 11703.4, 0.00303502/step, 0.923994 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: 3904000 756.3413 2129.0777 1943.1666 107.0586 -206399.6422 17880.6435 0.0000 0.0000 34209.6047 -149373.7498 298.7610 -183583.3546 -149281.8788 299.5683 70.9769 105.0892 556866.4629 -0.0389 -0.1740 PRESSURE: 3904200 216.706 -8.99227 217.731 -8.99199 62.0249 108.52 217.731 108.522 192.134 GPRESSURE: 3904200 234.068 -16.1935 231.159 17.1175 141.233 104.902 141.219 142.891 204.869 PRESSAVG: 3904200 -36.0241 -25.0434 -45.5998 -25.0433 28.154 47.2477 -45.5998 47.2477 26.0855 GPRESSAVG: 3904200 -36.7763 -23.5924 -45.5385 -24.7493 27.7017 49.0436 -46.848 47.0229 26.719 TIMING: 3904200 CPU: 11704, 0.00301674/step Wall: 11704, 0.00301674/step, 0.918263 hours remaining, 207.285156 MB of memory in use. ENERGY: 3904200 720.8751 2053.3528 1966.2072 114.9740 -206201.1762 18047.8850 0.0000 0.0000 34030.0159 -149267.8662 297.1926 -183297.8822 -149179.1834 299.4589 156.9549 193.3902 557384.9534 6.0718 5.8814 LDB: ============= START OF LOAD BALANCING ============== 11707.4 LDB: ============== END OF LOAD BALANCING =============== 11707.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11707.4 LDB: ============= START OF LOAD BALANCING ============== 11707.7 LDB: Largest compute 4820 load 0.021893 is 18.5% of average load 0.118157 LDB: Average compute 0.001734 is 1.5% of average load 0.118157 LDB: TIME 11707.7 LOAD: AVG 0.118157 MAX 0.215509 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.766 MB LDB: TIME 11707.7 LOAD: AVG 0.118157 MAX 0.215509 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.766 MB LDB: TIME 11707.7 LOAD: AVG 0.118157 MAX 0.215509 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.766 MB LDB: ============== END OF LOAD BALANCING =============== 11707.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11707.7 PRESSURE: 3904400 -139.325 -56.5242 -62.9494 -56.5242 84.3473 -54.1878 -62.9499 -54.187 42.1108 GPRESSURE: 3904400 -88.4312 -112.713 -55.9488 -108.55 145.498 -29.6114 -98.2558 -152.187 16.7985 PRESSAVG: 3904400 -51.0316 2.74585 -30.4554 2.74588 18.4835 18.9535 -30.4553 18.9536 2.89506 GPRESSAVG: 3904400 -50.2006 1.85227 -30.7893 2.39692 17.4678 18.2062 -27.8574 19.5819 3.01074 TIMING: 3904400 CPU: 11704.6, 0.00309598/step Wall: 11704.6, 0.00309598/step, 0.94221 hours remaining, 206.914062 MB of memory in use. ENERGY: 3904400 759.4726 2068.1802 1949.6429 112.8635 -206004.7700 17701.8225 0.0000 0.0000 34166.2332 -149246.5551 298.3822 -183412.7883 -149156.8629 298.9937 -4.2890 24.6219 556787.2290 -9.8843 -9.9074 PRESSURE: 3904600 80.8821 73.614 64.9576 73.6143 256.29 37.4445 64.9571 37.4415 193.09 GPRESSURE: 3904600 80.2709 102.34 91.5136 42.2748 283.176 5.10542 100.594 54.0527 252.785 PRESSAVG: 3904600 -31.1936 -18.5599 -3.8931 -18.5598 82.3097 28.652 -3.89318 28.652 -6.1846 GPRESSAVG: 3904600 -32.6735 -19.2604 -2.55634 -18.2576 83.9555 26.9558 -5.05817 27.5498 -6.23559 TIMING: 3904600 CPU: 11705.2, 0.00303072/step Wall: 11705.2, 0.00303072/step, 0.922181 hours remaining, 206.914062 MB of memory in use. ENERGY: 3904600 735.8336 2116.6655 1954.6381 101.4162 -206403.9397 18083.2010 0.0000 0.0000 34227.4402 -149184.7451 298.9167 -183412.1854 -149088.7264 299.5157 176.7541 205.4107 556760.3528 14.9772 15.0155 PRESSURE: 3904800 280.461 67.2573 104.252 67.2577 114.583 121.1 104.253 121.1 345.012 GPRESSURE: 3904800 275.62 88.9879 92.6772 22.7169 171.515 301.963 98.6429 80.5813 389.127 PRESSAVG: 3904800 10.9039 6.21307 1.03039 6.21317 -41.088 10.3057 1.03033 10.3058 -10.6623 GPRESSAVG: 3904800 12.5429 7.82687 -1.38143 5.79721 -41.7295 10.9639 2.58604 10.873 -11.4093 TIMING: 3904800 CPU: 11705.8, 0.00302339/step Wall: 11705.8, 0.00302339/step, 0.919781 hours remaining, 206.914062 MB of memory in use. ENERGY: 3904800 722.1454 2125.6631 1939.2915 104.5515 -206403.7218 18194.1217 0.0000 0.0000 34348.0794 -148969.8692 299.9703 -183317.9486 -148876.7256 299.0255 246.6853 278.7537 556594.3155 -13.6155 -13.5320 PRESSURE: 3905000 -81.2354 80.5564 83.1234 80.5565 -46.637 15.083 83.1235 15.0832 -60.8682 GPRESSURE: 3905000 -22.565 219.982 108.048 6.80399 -30.1993 21.6695 140.145 20.4181 -46.7609 PRESSAVG: 3905000 26.9433 50.978 29.2787 50.978 -46.007 40.9171 29.2787 40.9171 26.8906 GPRESSAVG: 3905000 25.2455 51.7987 31.0949 51.0504 -44.8482 41.5155 28.876 41.743 27.5658 TIMING: 3905000 CPU: 11706.4, 0.00305448/step Wall: 11706.4, 0.00305448/step, 0.929072 hours remaining, 206.914062 MB of memory in use. ENERGY: 3905000 748.8263 2066.9315 1944.7926 111.4289 -205703.1540 17640.7752 0.0000 0.0000 34347.8430 -148842.5566 299.9683 -183190.3995 -148739.7341 300.1875 -62.9135 -33.1751 558567.1910 2.6089 2.6544 PRESSURE: 3905200 -26.4543 -63.7907 -48.5007 -63.7901 49.4071 -13.061 -48.5014 -13.0609 304.109 GPRESSURE: 3905200 -17.173 -111.123 -13.8061 -63.8347 100.102 -59.7671 -76.956 17.6993 347.496 PRESSAVG: 3905200 -36.4926 28.4408 59.1982 28.4408 27.7251 55.9344 59.1981 55.9343 69.9383 GPRESSAVG: 3905200 -34.8051 27.1702 57.2924 26.1331 27.2063 54.866 60.2621 55.6718 68.9201 TIMING: 3905200 CPU: 11707, 0.00304593/step Wall: 11707, 0.00304593/step, 0.926302 hours remaining, 206.914062 MB of memory in use. ENERGY: 3905200 739.7626 2126.2822 1942.8476 137.4720 -206079.8097 17934.8707 0.0000 0.0000 34316.4302 -148882.1442 299.6939 -183198.5745 -148789.5211 299.6600 109.0205 143.4750 557455.1715 20.3902 20.4404 PRESSURE: 3905400 144.845 -142.206 -55.6103 -142.205 -367.016 22.9241 -55.6106 22.9237 -39.2692 GPRESSURE: 3905400 134.273 -191.778 -53.9005 -171.699 -283.716 -1.22656 -43.6344 50.5443 -2.74588 PRESSAVG: 3905400 -22.0211 27.3864 -5.32271 27.3864 -49.245 32.0818 -5.32277 32.0818 33.4913 GPRESSAVG: 3905400 -21.6635 27.1773 -3.53169 28.392 -50.558 32.106 -6.99604 32.211 34.1689 TIMING: 3905400 CPU: 11707.6, 0.00305039/step Wall: 11707.6, 0.00305039/step, 0.927489 hours remaining, 206.914062 MB of memory in use. ENERGY: 3905400 747.5928 2065.4267 1960.4035 122.3476 -205702.2459 17656.8856 0.0000 0.0000 34374.2411 -148775.3485 300.1988 -183149.5896 -148675.2110 300.1140 -87.1467 -50.7297 559727.0133 -12.5916 -12.6842 PRESSURE: 3905600 -70.939 -42.2765 70.3069 -42.2743 -4.92432 -42.2607 70.3074 -42.2601 446.66 GPRESSURE: 3905600 -24.1201 -36.3552 30.0622 -32.1871 4.26155 -120.064 117.806 14.4122 486.792 PRESSAVG: 3905600 15.5799 7.30072 -53.1313 7.30074 -39.0757 27.3367 -53.1313 27.3366 17.4604 GPRESSAVG: 3905600 13.9446 7.18306 -55.0991 8.29474 -38.6108 28.0076 -52.9532 25.3701 18.2402 TIMING: 3905600 CPU: 11708.2, 0.00305468/step Wall: 11708.2, 0.00305468/step, 0.928623 hours remaining, 206.914062 MB of memory in use. ENERGY: 3905600 728.8234 2130.5470 1940.5416 110.1300 -205902.2133 17890.8817 0.0000 0.0000 34347.5622 -148753.7275 299.9658 -183101.2897 -148656.7107 300.2216 123.5987 155.6443 559182.1687 -2.0118 -2.1420 PRESSURE: 3905800 -191.288 5.30118 -56.5783 5.30216 -88.277 120.01 -56.5779 120.01 -66.9856 GPRESSURE: 3905800 -129.235 -91.6664 -16.4074 68.4572 -71.1773 218.439 -50.0528 96.1988 -59.1698 PRESSAVG: 3905800 -28.1956 -23.1629 -6.83049 -23.1629 30.9922 53.5678 -6.83051 53.5678 20.9553 GPRESSAVG: 3905800 -26.9867 -23.4051 -5.78616 -24.3218 30.1667 53.8708 -5.41215 55.7608 20.7698 TIMING: 3905800 CPU: 11708.9, 0.00303914/step Wall: 11708.9, 0.00303914/step, 0.923731 hours remaining, 206.914062 MB of memory in use. ENERGY: 3905800 756.3592 2112.8532 1954.1984 109.3950 -205976.1449 17685.5235 0.0000 0.0000 34439.7552 -148918.0602 300.7709 -183357.8155 -148821.7036 300.9154 -115.5168 -86.5275 559222.5768 7.9173 7.9833 PRESSURE: 3906000 -234.116 -3.87307 -93.5686 -3.87294 -367.925 6.19586 -93.5679 6.19686 34.4011 GPRESSURE: 3906000 -202.385 -33.3712 -123.156 19.8659 -367.958 11.0069 -22.8033 -17.0166 91.2861 PRESSAVG: 3906000 -15.405 -6.66057 -34.3099 -6.66062 -29.8227 50.9756 -34.3099 50.9755 98.4109 GPRESSAVG: 3906000 -15.0215 -6.58915 -34.946 -6.25354 -29.0996 51.772 -34.9605 47.0002 97.3642 TIMING: 3906000 CPU: 11709.5, 0.0030388/step Wall: 11709.5, 0.0030388/step, 0.923458 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: 3906000 757.5629 2096.6099 1948.1651 133.1614 -205674.3025 17469.3278 0.0000 0.0000 34498.6675 -148770.8079 301.2854 -183269.4754 -148670.6858 301.0602 -189.2131 -159.6856 559431.2395 17.7277 17.7477 PRESSURE: 3906200 309.231 85.2564 -189.998 85.2575 196.954 29.8714 -189.998 29.87 142.443 GPRESSURE: 3906200 333.187 70.8392 -159.654 94.328 240.008 6.58237 -200.218 91.2598 168.487 PRESSAVG: 3906200 -25.2534 6.10316 14.3153 6.10317 -37.7479 12.8974 14.3153 12.8974 20.116 GPRESSAVG: 3906200 -25.7302 6.79496 15.4069 6.59746 -38.616 9.89762 14.4687 15.3141 21.3221 TIMING: 3906200 CPU: 11710.1, 0.00304164/step Wall: 11710.1, 0.00304164/step, 0.924153 hours remaining, 206.914062 MB of memory in use. ENERGY: 3906200 784.9812 2101.1047 1996.8712 115.7650 -206139.5108 18046.8541 0.0000 0.0000 34405.7270 -148688.2077 300.4738 -183093.9347 -148590.2622 300.2596 216.2091 247.2273 557449.5043 -14.2951 -14.3414 PRESSURE: 3906400 20.9631 143.141 91.5437 143.142 -118.661 -52.5103 91.5421 -52.509 129.942 GPRESSURE: 3906400 51.8097 39.0915 171.119 99.2994 -23.7772 -48.7568 87.2703 -100.777 107.009 PRESSAVG: 3906400 2.68663 35.5094 62.3475 35.5094 28.7774 -37.0862 62.3474 -37.0862 -57.8787 GPRESSAVG: 3906400 2.05687 35.8504 60.9099 34.2632 29.1286 -36.7402 61.5358 -37.1421 -57.7599 TIMING: 3906400 CPU: 11710.7, 0.00305039/step Wall: 11710.7, 0.00305039/step, 0.926641 hours remaining, 206.914062 MB of memory in use. ENERGY: 3906400 785.9254 2106.3874 1951.9644 122.3265 -205837.1463 17971.7889 0.0000 0.0000 34110.0806 -148788.6731 297.8918 -182898.7537 -148699.7684 300.1445 10.7480 45.0137 559896.8304 -8.8049 -8.8582 PRESSURE: 3906600 6.36107 56.1205 83.4971 56.1213 -230.197 -157.309 83.4962 -157.308 165.337 GPRESSURE: 3906600 19.2793 60.8044 85.2696 16.0217 -184.805 -115.061 54.2687 -193.984 190.324 PRESSAVG: 3906600 27.603 8.74935 16.8771 8.74936 -43.2692 2.77536 16.877 2.77536 -12.2414 GPRESSAVG: 3906600 27.0652 9.1973 17.4822 7.42118 -41.2068 4.96224 17.1784 2.92218 -13.616 TIMING: 3906600 CPU: 11711.3, 0.00305518/step Wall: 11711.3, 0.00305518/step, 0.927927 hours remaining, 206.914062 MB of memory in use. ENERGY: 3906600 736.3629 2120.9498 1917.6084 121.3007 -206022.8388 17566.5142 0.0000 0.0000 34477.3429 -149082.7598 301.0992 -183560.1027 -148981.5561 299.0649 -19.4998 8.2661 557338.1209 -9.3025 -9.2526 PRESSURE: 3906800 -70.9981 102.617 40.689 102.617 -167.038 -65.7974 40.6885 -65.7966 291.347 GPRESSURE: 3906800 -58.4552 161.515 -5.59357 100.331 -108.94 -86.6245 -5.26713 17.6636 329.942 PRESSAVG: 3906800 10.9132 29.8213 -17.1963 29.8212 -47.9962 -16.7945 -17.1964 -16.7945 56.9539 GPRESSAVG: 3906800 11.9378 30.0009 -18.3153 31.3616 -49.8077 -17.477 -16.4724 -17.1363 57.7533 TIMING: 3906800 CPU: 11711.9, 0.00306537/step Wall: 11711.9, 0.00306537/step, 0.93085 hours remaining, 206.914062 MB of memory in use. ENERGY: 3906800 769.6063 2046.2656 1937.6829 114.7724 -206240.0954 17879.1265 0.0000 0.0000 34378.3038 -149114.3380 300.2343 -183492.6418 -149017.0379 299.1118 17.7705 54.1822 557943.8857 6.6236 6.6278 PRESSURE: 3907000 -275.311 44.7476 -177.224 44.7482 -187.282 37.117 -177.224 37.1186 -190.201 GPRESSURE: 3907000 -240.939 20.9092 -179.92 73.017 -151.842 122.043 -104.864 18.5639 -156.213 PRESSAVG: 3907000 -1.68644 6.00339 -32.3309 6.0034 3.30767 59.8154 -32.3308 59.8154 9.15541 GPRESSAVG: 3907000 -1.49494 4.68441 -29.9329 8.68649 3.56998 60.2743 -33.2703 58.3907 9.0922 TIMING: 3907000 CPU: 11712.5, 0.0030287/step Wall: 11712.5, 0.0030287/step, 0.919548 hours remaining, 206.914062 MB of memory in use. ENERGY: 3907000 781.4863 2011.7132 1952.7832 106.6514 -205818.6358 17551.6360 0.0000 0.0000 34557.2769 -148857.0888 301.7973 -183414.3657 -148758.5238 299.9418 -217.5980 -182.9980 558232.1219 3.5922 3.7224 PRESSURE: 3907200 16.396 65.3525 -15.7216 65.3523 160.593 49.2481 -15.7212 49.2487 143.33 GPRESSURE: 3907200 39.9427 72.3859 -41.2678 -24.0455 171.785 -5.21002 36.5705 56.6163 207.783 PRESSAVG: 3907200 32.9029 21.405 -1.51224 21.405 9.48457 14.7709 -1.5122 14.7711 -44.7623 GPRESSAVG: 3907200 31.7758 22.6026 -0.879443 21.0258 9.6108 15.5127 -1.03169 15.4342 -43.6635 TIMING: 3907200 CPU: 11713.1, 0.00304697/step Wall: 11713.1, 0.00304697/step, 0.924925 hours remaining, 207.058594 MB of memory in use. ENERGY: 3907200 681.8610 2098.7456 1949.6083 110.7386 -205765.8382 17946.6837 0.0000 0.0000 34285.6494 -148692.5516 299.4251 -182978.2010 -148603.3539 300.8628 106.7732 139.8369 557744.6178 -0.7916 -0.7590 PRESSURE: 3907400 152.139 171.998 130.977 171.998 18.0303 94.4321 130.977 94.4312 357.9 GPRESSURE: 3907400 200.868 243.169 130.51 120.321 33.5323 65.0611 223.152 65.0598 382.222 PRESSAVG: 3907400 -37.1023 49.3993 -33.4932 49.3993 3.47961 -6.36532 -33.4931 -6.36523 20.4557 GPRESSAVG: 3907400 -36.2542 50.7115 -35.4178 48.5084 2.63532 -9.4816 -32.2479 -5.10764 19.9909 TIMING: 3907400 CPU: 11713.7, 0.0030231/step Wall: 11713.7, 0.0030231/step, 0.917512 hours remaining, 207.058594 MB of memory in use. ENERGY: 3907400 718.1605 2058.0959 1940.1326 106.8645 -205858.7361 17966.0717 0.0000 0.0000 34398.1000 -148671.3108 300.4072 -183069.4108 -148574.0361 300.3729 176.0230 205.5408 558063.1446 -4.3890 -4.5426 PRESSURE: 3907600 -34.9824 -78.5848 -171.375 -78.5844 59.7712 -27.4444 -171.376 -27.4446 90.6044 GPRESSURE: 3907600 7.54379 -85.1939 -179.386 -10.9206 78.6044 -4.30951 -160.958 -66.8012 125.851 PRESSAVG: 3907600 49.1718 -2.69302 -30.745 -2.69307 -54.7956 -24.9537 -30.745 -24.9536 19.5076 GPRESSAVG: 3907600 49.4198 -2.0891 -31.1619 -2.49931 -54.7809 -23.4349 -30.9448 -26.3652 19.6499 TIMING: 3907600 CPU: 11714.3, 0.00306019/step Wall: 11714.3, 0.00306019/step, 0.928597 hours remaining, 207.058594 MB of memory in use. ENERGY: 3907600 785.8999 2130.8171 1918.0564 113.5787 -205624.8985 17813.2133 0.0000 0.0000 34406.2390 -148457.0941 300.4782 -182863.3331 -148362.6666 301.2205 38.4644 70.6663 559180.6025 4.6279 4.7629 PRESSURE: 3907800 -110.975 59.3536 101.318 59.3529 137.15 -121.97 101.318 -121.968 357.34 GPRESSURE: 3907800 -68.6187 79.8473 185.366 94.8566 190.686 -67.7592 11.9549 -236.01 340.371 PRESSAVG: 3907800 -15.4886 1.98332 -1.54942 1.98336 -80.2618 8.06869 -1.54946 8.06869 93.5959 GPRESSAVG: 3907800 -15.5202 -0.84325 1.18716 3.98476 -80.9965 7.9133 -2.203 8.24097 94.1942 TIMING: 3907800 CPU: 11714.9, 0.00305309/step Wall: 11714.9, 0.00305309/step, 0.926273 hours remaining, 207.058594 MB of memory in use. ENERGY: 3907800 693.6489 2099.2586 1961.6834 115.7727 -205846.4426 17968.4066 0.0000 0.0000 34454.0946 -148553.5778 300.8962 -183007.6724 -148464.2904 300.9132 127.8386 154.1461 558061.1263 -0.7182 -0.7742 PRESSURE: 3908000 -125.114 -79.4529 -1.307 -79.4541 -144.489 54.6639 -1.30679 54.6653 67.3604 GPRESSURE: 3908000 -90.6486 -31.2655 26.2038 -81.2623 -144.031 56.3014 -9.32849 80.7387 121.188 PRESSAVG: 3908000 -15.5357 -2.22988 20.5114 -2.22988 -47.3857 -27.8163 20.5114 -27.8164 75.3465 GPRESSAVG: 3908000 -15.4503 -2.18717 18.4458 -2.46809 -46.3768 -26.5224 19.8572 -27.4016 74.4516 TIMING: 3908000 CPU: 11715.6, 0.00307419/step Wall: 11715.6, 0.00307419/step, 0.932505 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: 3908000 735.7966 2114.3352 1964.1802 110.4368 -205258.3473 17447.4539 0.0000 0.0000 34402.8762 -148483.2684 300.4489 -182886.1445 -148380.4860 301.3157 -67.4143 -37.8306 559090.2958 4.1417 4.2082 PRESSURE: 3908200 -238.091 -1.13342 152.808 -1.13431 -171.82 -52.9747 152.808 -52.9748 84.1874 GPRESSURE: 3908200 -163.993 -0.684551 136.72 -16.4146 -191.648 -43.688 116.207 -99.0864 142.404 PRESSAVG: 3908200 11.1831 -28.4113 -35.5588 -28.4114 25.641 -42.4027 -35.5588 -42.4028 -43.016 GPRESSAVG: 3908200 10.9347 -26.422 -36.1786 -30.814 26.3439 -42.433 -34.7038 -43.3106 -43.1448 TIMING: 3908200 CPU: 11716.2, 0.00305824/step Wall: 11716.2, 0.00305824/step, 0.927496 hours remaining, 207.058594 MB of memory in use. ENERGY: 3908200 692.0060 2108.8670 1949.7831 115.2917 -205155.3451 17406.9092 0.0000 0.0000 34528.7215 -148353.7666 301.5479 -182882.4881 -148251.5169 300.6115 -108.5745 -71.0789 559036.9475 -2.0640 -1.9554 LDB: ============= START OF LOAD BALANCING ============== 11719.6 LDB: ============== END OF LOAD BALANCING =============== 11719.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11719.6 LDB: ============= START OF LOAD BALANCING ============== 11719.9 LDB: Largest compute 4820 load 0.022534 is 19.1% of average load 0.118114 LDB: Average compute 0.001733 is 1.5% of average load 0.118114 LDB: TIME 11719.9 LOAD: AVG 0.118114 MAX 0.216161 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.855 MB LDB: TIME 11719.9 LOAD: AVG 0.118114 MAX 0.216161 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.855 MB LDB: TIME 11719.9 LOAD: AVG 0.118114 MAX 0.216161 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11719.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11719.9 PRESSURE: 3908400 57.4793 39.2356 -38.4757 39.2349 -177.208 -60.0439 -38.4759 -60.0434 -184.407 GPRESSURE: 3908400 70.5763 44.9468 -43.8807 44.5378 -154.518 -74.1777 -43.8717 -75.1578 -131.699 PRESSAVG: 3908400 48.5519 -5.84501 17.4007 -5.84493 -72.1918 0.581608 17.4007 0.581719 27.0857 GPRESSAVG: 3908400 48.2731 -8.14125 18.2304 -5.15703 -71.3381 0.234955 16.5911 0.481325 26.7132 TIMING: 3908400 CPU: 11716.8, 0.00309267/step Wall: 11716.8, 0.00309267/step, 0.937767 hours remaining, 206.203125 MB of memory in use. ENERGY: 3908400 717.3201 2162.8101 1929.1566 101.7624 -205550.1669 17598.4027 0.0000 0.0000 34568.1549 -148472.5601 301.8923 -183040.7150 -148382.3679 300.4068 -101.3788 -71.8803 558773.2137 1.1486 1.2161 PRESSURE: 3908600 -249.598 -40.6906 -27.8008 -40.6923 -416.171 -82.8655 -27.8009 -82.8656 -197.15 GPRESSURE: 3908600 -198.978 -22.2688 -90.8004 -90.9934 -356.778 -97.3633 -24.6445 -43.4463 -206.134 PRESSAVG: 3908600 32.9509 -7.75646 -14.2842 -7.75643 -22.8743 -40.973 -14.2842 -40.973 20.4103 GPRESSAVG: 3908600 33.6334 -5.43536 -13.8752 -8.98872 -23.5231 -41.2164 -13.4714 -40.0511 20.553 TIMING: 3908600 CPU: 11717.4, 0.00301937/step Wall: 11717.4, 0.00301937/step, 0.915372 hours remaining, 206.402344 MB of memory in use. ENERGY: 3908600 689.3031 2126.3871 1923.8259 109.4902 -205389.0919 17260.3159 0.0000 0.0000 34569.2004 -148710.5693 301.9014 -183279.7697 -148608.7404 300.4563 -287.6396 -253.9632 558397.1310 10.1623 10.2211 PRESSURE: 3908800 -195.066 -55.5725 54.2333 -55.5721 -275.616 70.7638 54.2323 70.7666 -201.585 GPRESSURE: 3908800 -142.244 -139.356 44.1919 -5.95311 -269.161 -27.3194 35.9221 164.258 -147.694 PRESSAVG: 3908800 34.443 16.2416 -12.4183 16.2416 -49.2854 30.6417 -12.4183 30.6416 -12.6014 GPRESSAVG: 3908800 34.3846 14.7445 -12.8559 19.5411 -49.5053 31.9966 -12.7412 29.898 -12.1584 TIMING: 3908800 CPU: 11718, 0.00302917/step Wall: 11718, 0.00302917/step, 0.918176 hours remaining, 206.402344 MB of memory in use. ENERGY: 3908800 716.6787 2077.8640 1904.5035 107.6951 -205383.4414 17320.0264 0.0000 0.0000 34580.4284 -148676.2453 301.9995 -183256.6737 -148576.0381 300.8036 -224.0890 -186.3662 559109.8164 -9.1479 -9.0930 PRESSURE: 3909000 13.6322 -29.7937 -61.7225 -29.7937 55.9989 90.6392 -61.723 90.6394 -127.473 GPRESSURE: 3909000 42.1238 -132.898 -61.2496 -78.2541 100.79 100.314 -13.7686 164.203 -93.3869 PRESSAVG: 3909000 32.4459 39.5345 -23.9956 39.5344 16.9251 71.6783 -23.9956 71.6783 10.9632 GPRESSAVG: 3909000 32.5232 39.5066 -24.1968 37.7822 17.0347 72.1667 -25.0613 72.6775 11.3554 TIMING: 3909000 CPU: 11718.6, 0.00302942/step Wall: 11718.6, 0.00302942/step, 0.918081 hours remaining, 206.402344 MB of memory in use. ENERGY: 3909000 706.7239 2135.5401 1916.4638 112.2803 -205933.4859 17882.6642 0.0000 0.0000 34560.4354 -148619.3782 301.8249 -183179.8136 -148520.3318 301.2848 -19.2805 16.5089 558985.5119 20.1114 20.3044 PRESSURE: 3909200 0.793515 -118.135 -331.262 -118.135 43.7693 3.10939 -331.262 3.11021 160.85 GPRESSURE: 3909200 63.4411 -251.502 -330.22 -2.21861 60.3759 45.982 -347.114 -85.872 177.094 PRESSAVG: 3909200 26.2207 -55.0442 -27.8948 -55.044 25.7377 -21.7745 -27.8948 -21.7746 -45.1879 GPRESSAVG: 3909200 26.8917 -54.8604 -28.5462 -57.0296 25.0269 -23.3925 -27.2698 -23.6575 -45.3565 TIMING: 3909200 CPU: 11719.2, 0.0030228/step Wall: 11719.2, 0.0030228/step, 0.915909 hours remaining, 206.402344 MB of memory in use. ENERGY: 3909200 724.1943 2137.8576 1936.4311 114.9423 -205832.4009 17886.8137 0.0000 0.0000 34474.2066 -148557.9553 301.0718 -183032.1619 -148456.7655 301.4413 68.4711 100.3038 558845.5940 2.2569 2.1874 PRESSURE: 3909400 -190.888 204.776 22.5954 204.776 -108.158 101.074 22.5954 101.073 -168.597 GPRESSURE: 3909400 -102.513 230.78 70.1592 194.12 -103.78 60.3148 -37.9916 130.096 -158.842 PRESSAVG: 3909400 -50.1973 -4.50059 -51.5646 -4.50051 36.7773 13.3744 -51.5646 13.3744 78.4416 GPRESSAVG: 3909400 -49.8457 -5.03204 -50.3238 -3.92531 37.5573 13.1377 -51.1821 16.0209 77.6915 TIMING: 3909400 CPU: 11719.8, 0.00303233/step Wall: 11719.8, 0.00303233/step, 0.918628 hours remaining, 206.402344 MB of memory in use. ENERGY: 3909400 723.3098 2118.2195 1925.4587 123.2918 -205484.3563 17507.4231 0.0000 0.0000 34367.5149 -148719.1386 300.1401 -183086.6535 -148623.0785 301.1535 -155.8812 -121.7117 559930.1909 21.6739 21.8010 PRESSURE: 3909600 -256.505 -47.3829 -13.8679 -47.3843 148.431 109.358 -13.8679 109.358 81.5985 GPRESSURE: 3909600 -195.068 -53.7332 8.64042 -56.0739 152.246 113.62 -44.0046 91.0867 109.175 PRESSAVG: 3909600 -62.7652 18.0786 8.32167 18.0786 -32.8564 38.3902 8.32172 38.3903 85.4323 GPRESSAVG: 3909600 -62.9735 18.2012 10.3183 19.2579 -33.3594 41.7585 5.64561 36.7462 86.4201 TIMING: 3909600 CPU: 11720.4, 0.0030606/step Wall: 11720.4, 0.0030606/step, 0.927021 hours remaining, 206.402344 MB of memory in use. ENERGY: 3909600 719.3496 2089.8596 1978.8723 121.2066 -205975.3490 17845.8622 0.0000 0.0000 34592.4976 -148627.7013 302.1049 -183220.1988 -148525.7051 300.3944 -8.8254 22.1178 559472.6483 -3.3964 -3.3043 PRESSURE: 3909800 -214.387 -46.8484 -13.3019 -46.8473 -65.6282 9.06455 -13.3032 9.0639 60.6984 GPRESSURE: 3909800 -153.648 -41.7646 52.9396 -63.4542 -52.4277 -107.811 -30.796 10.1293 99.5457 PRESSAVG: 3909800 -37.3055 -23.0231 -7.47874 -23.0231 20.316 -5.47585 -7.47869 -5.47586 45.6477 GPRESSAVG: 3909800 -37.2567 -23.8195 -9.76038 -22.8234 20.744 -9.99502 -4.68931 -4.88009 45.0681 TIMING: 3909800 CPU: 11721, 0.00309061/step Wall: 11721, 0.00309061/step, 0.935939 hours remaining, 206.402344 MB of memory in use. ENERGY: 3909800 718.6880 2110.7657 1952.7215 117.0774 -205482.2786 17606.6698 0.0000 0.0000 34360.8546 -148615.5016 300.0819 -182976.3563 -148520.2388 301.5567 -73.1057 -35.5098 559296.2958 9.5527 9.5185 PRESSURE: 3910000 -204.622 -26.3116 50.7746 -26.3116 -99.7293 128.354 50.7738 128.354 31.7124 GPRESSURE: 3910000 -121.591 -69.4755 48.1107 -38.6291 2.71379 85.4102 47.5069 147.497 -48.1862 PRESSAVG: 3910000 -13.5053 -26.2622 -19.3325 -26.2622 9.3692 10.5485 -19.3326 10.5485 13.5441 GPRESSAVG: 3910000 -13.8556 -24.9971 -20.502 -28.1438 9.96071 13.0779 -21.4261 8.72147 13.3726 TIMING: 3910000 CPU: 11721.7, 0.00307154/step Wall: 11721.7, 0.00307154/step, 0.929994 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: 3910000 742.3024 2068.1658 1949.8786 125.6023 -205673.1133 17483.3043 0.0000 0.0000 34417.7084 -148886.1514 300.5784 -183303.8599 -148790.3803 300.7954 -90.8797 -55.6878 558745.5378 3.1360 3.1592 PRESSURE: 3910200 -42.8217 -27.9909 -47.0547 -27.9916 -239.423 -91.9421 -47.0554 -91.9423 -44.2641 GPRESSURE: 3910200 -25.4948 -40.2716 47.9949 -60.4403 -192.533 -159.741 -105.821 -2.53489 -3.90496 PRESSAVG: 3910200 -3.783 33.4597 -26.406 33.4598 -4.62549 8.34663 -26.406 8.34679 63.683 GPRESSAVG: 3910200 -3.08765 31.1088 -24.7689 36.5186 -5.60913 8.52106 -24.0164 8.99021 63.2253 TIMING: 3910200 CPU: 11722.3, 0.0030627/step Wall: 11722.3, 0.0030627/step, 0.927147 hours remaining, 206.402344 MB of memory in use. ENERGY: 3910200 744.0491 2051.3182 1938.1530 118.7510 -206044.9442 17801.7607 0.0000 0.0000 34203.0846 -149187.8275 298.7040 -183390.9121 -149085.5173 300.2759 -108.8362 -73.9775 559275.0355 18.4248 18.1762 PRESSURE: 3910400 197.481 5.02253 -63.1267 5.0218 -12.7294 -103.651 -63.129 -103.652 93.5987 GPRESSURE: 3910400 248.463 36.2191 -51.3115 4.25815 -3.36789 -190.309 -69.3035 -42.6228 126.892 PRESSAVG: 3910400 25.7396 63.0538 1.47308 63.0539 -4.18882 -10.7576 1.47312 -10.7576 -0.825364 GPRESSAVG: 3910400 24.3926 64.2771 1.60388 62.0941 -3.34048 -12.7412 0.304922 -7.66875 -1.18813 TIMING: 3910400 CPU: 11722.9, 0.0030371/step Wall: 11722.9, 0.0030371/step, 0.919229 hours remaining, 206.402344 MB of memory in use. ENERGY: 3910400 738.4074 2105.2677 1922.1695 107.5411 -206054.7389 17904.2783 0.0000 0.0000 34250.6435 -149026.4312 299.1194 -183277.0747 -148939.2943 299.2940 92.7834 123.9960 557227.2462 6.9085 6.6213 PRESSURE: 3910600 -19.4608 -116.847 97.4552 -116.846 -222.61 1.33839 97.4546 1.33889 -138.559 GPRESSURE: 3910600 42.4039 -7.77812 93.8349 -151.842 -183.841 11.7718 145.625 -69.5652 -148.534 PRESSAVG: 3910600 -38.3356 48.7763 26.9169 48.7763 50.3613 11.1306 26.9169 11.1307 -22.6006 GPRESSAVG: 3910600 -36.2966 47.7788 25.2438 49.1841 49.3879 12.1986 28.6497 9.29564 -23.7396 TIMING: 3910600 CPU: 11723.5, 0.00309761/step Wall: 11723.5, 0.00309761/step, 0.937373 hours remaining, 206.402344 MB of memory in use. ENERGY: 3910600 770.9290 2097.2553 1914.2930 110.1275 -205899.2413 17687.2978 0.0000 0.0000 34324.5502 -148994.7885 299.7648 -183319.3387 -148888.8317 300.6083 -126.8767 -96.6572 558614.3817 -3.5249 -3.5494 PRESSURE: 3910800 -69.7368 -20.9471 79.0396 -20.9465 443.786 168.65 79.0404 168.651 -62.034 GPRESSURE: 3910800 -9.36618 -13.674 104.402 19.4188 427.439 179.462 63.9813 188.209 -6.31962 PRESSAVG: 3910800 38.0819 -2.69408 -38.538 -2.69413 -14.8549 -38.9041 -38.5379 -38.9041 -35.9147 GPRESSAVG: 3910800 36.2214 -2.50208 -35.9321 -3.10212 -14.137 -37.9317 -40.8466 -38.9818 -34.9447 TIMING: 3910800 CPU: 11724.1, 0.00307285/step Wall: 11724.1, 0.00307285/step, 0.929709 hours remaining, 206.402344 MB of memory in use. ENERGY: 3910800 765.2661 2046.8542 1943.4863 110.8311 -206475.0080 18027.4865 0.0000 0.0000 34588.2840 -148992.7999 302.0681 -183581.0839 -148891.3967 300.3125 104.0052 137.2512 558636.8646 -4.2292 -4.2868 PRESSURE: 3911000 53.7765 -143.523 11.5126 -143.523 -96.4986 -11.0588 11.5127 -11.0589 -236.501 GPRESSURE: 3911000 62.7024 -188.639 -33.4649 -222.53 -61.7347 39.5899 56.638 -11.6274 -181.412 PRESSAVG: 3911000 33.7067 -2.12278 -7.32909 -2.12277 -32.5266 39.7137 -7.3291 39.7137 -4.56089 GPRESSAVG: 3911000 34.0201 -0.416151 -8.13285 -2.62372 -33.4707 37.493 -7.84412 39.7562 -3.90489 TIMING: 3911000 CPU: 11724.7, 0.00304737/step Wall: 11724.7, 0.00304737/step, 0.921829 hours remaining, 206.402344 MB of memory in use. ENERGY: 3911000 798.4494 2058.6007 1920.9763 113.4096 -206369.1793 17989.2715 0.0000 0.0000 34439.4707 -149049.0013 300.7685 -183488.4719 -148949.0843 300.1390 -93.0743 -60.1482 559728.7072 -1.1269 -1.1185 PRESSURE: 3911200 129.768 -35.7534 74.9902 -35.7539 155.34 232.08 74.9906 232.081 51.3311 GPRESSURE: 3911200 165.936 54.8792 56.5142 -33.5818 239.125 222.346 68.6645 239.793 28.6815 PRESSAVG: 3911200 34.4054 -47.394 -7.59552 -47.394 -10.0252 47.8058 -7.59547 47.8058 -51.3043 GPRESSAVG: 3911200 33.3865 -47.9225 -7.4694 -47.7018 -8.90023 50.6782 -8.37105 46.9152 -51.9627 TIMING: 3911200 CPU: 11725.3, 0.00306643/step Wall: 11725.3, 0.00306643/step, 0.927424 hours remaining, 206.402344 MB of memory in use. ENERGY: 3911200 747.4559 2065.5483 1911.6581 116.7228 -206573.6737 18174.3260 0.0000 0.0000 34339.9306 -149218.0320 299.8992 -183557.9626 -149117.6509 299.3050 112.1464 144.5809 559736.8318 -8.9747 -9.1588 PRESSURE: 3911400 -136.526 -53.1312 70.5974 -53.1311 293.388 -147.227 70.5984 -147.226 -169.902 GPRESSURE: 3911400 -89.9386 -45.5894 7.39385 -92.1957 325.638 -88.7301 56.6775 -159.163 -156.817 PRESSAVG: 3911400 13.3363 8.15442 -40.0492 8.15447 23.8986 -25.7061 -40.0492 -25.706 -39.8894 GPRESSAVG: 3911400 12.8446 9.4594 -41.0615 7.30764 23.4399 -28.6596 -40.5219 -25.0034 -39.4259 TIMING: 3911400 CPU: 11726, 0.00309274/step Wall: 11726, 0.00309274/step, 0.93521 hours remaining, 206.402344 MB of memory in use. ENERGY: 3911400 728.3625 2091.3938 1929.4646 109.8694 -206180.4859 17877.9666 0.0000 0.0000 34219.5830 -149223.8459 298.8481 -183443.4290 -149132.1933 299.3226 -4.3468 26.2940 558475.1758 -0.8848 -1.0471 PRESSURE: 3911600 5.11627 123.735 -49.5947 123.736 1.86221 122.016 -49.5949 122.017 -337.109 GPRESSURE: 3911600 41.2166 155.287 -24.2881 98.2988 21.8047 68.2554 -26.8243 102.416 -295.025 PRESSAVG: 3911600 -10.7826 53.6934 3.2104 53.6934 99.2383 -25.6506 3.21043 -25.6505 -84.8771 GPRESSAVG: 3911600 -9.86615 53.5905 2.94308 54.4433 99.604 -26.2066 4.90922 -24.6829 -85.6504 TIMING: 3911600 CPU: 11726.6, 0.00305235/step Wall: 11726.6, 0.00305235/step, 0.922826 hours remaining, 206.402344 MB of memory in use. ENERGY: 3911600 767.4603 2043.7792 1944.1022 111.6516 -206630.7220 18020.2332 0.0000 0.0000 34345.3330 -149398.1625 299.9463 -183743.4955 -149296.0201 298.6333 -110.0436 -77.3346 558420.3418 1.1929 1.3625 PRESSURE: 3911800 -227.149 -39.2722 -55.2957 -39.2711 -88.5208 -66.2702 -55.2954 -66.2691 -110.349 GPRESSURE: 3911800 -199.922 -76.4998 -106.931 -73.136 -47.2669 -100.882 6.96727 -28.6016 -79.096 PRESSAVG: 3911800 37.2228 28.9199 71.593 28.92 66.1995 -17.5041 71.5929 -17.5042 -58.426 GPRESSAVG: 3911800 35.7646 28.6638 71.9072 30.4904 67.0744 -17.3894 73.0422 -16.4307 -58.2353 TIMING: 3911800 CPU: 11727.2, 0.00305562/step Wall: 11727.2, 0.00305562/step, 0.923646 hours remaining, 206.402344 MB of memory in use. ENERGY: 3911800 725.4560 2100.1492 1922.3759 116.3312 -205912.3230 17624.9788 0.0000 0.0000 34019.0255 -149404.0065 297.0966 -183423.0319 -149299.8723 298.8022 -142.0062 -108.7617 558640.7766 14.9988 14.8679 PRESSURE: 3912000 -178.19 135.399 37.9197 135.399 -167.542 -118.441 37.9192 -118.442 -1.10425 GPRESSURE: 3912000 -136.517 93.8063 42.6802 129.722 -77.2729 -120.368 -31.4559 -62.3437 -32.6146 PRESSAVG: 3912000 -19.0786 19.7018 15.375 19.7018 58.5188 -39.158 15.3751 -39.1581 -16.4521 GPRESSAVG: 3912000 -16.9791 19.0346 15.6064 18.3069 57.3463 -37.1483 13.7312 -40.7084 -17.6055 TIMING: 3912000 CPU: 11727.8, 0.0030722/step Wall: 11727.8, 0.0030722/step, 0.928486 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: 3912000 790.9651 2054.4681 1957.4158 99.6666 -205997.0393 17618.9152 0.0000 0.0000 34146.5351 -149329.0733 298.2102 -183475.6084 -149230.7674 298.0725 -115.6121 -82.1347 555781.6006 7.6627 7.5872 PRESSURE: 3912200 -65.1006 115.539 21.4645 115.54 150.654 167.301 21.465 167.301 -178.873 GPRESSURE: 3912200 24.091 145.195 49.5713 64.5644 178.077 162.245 -49.1899 139.558 -208.087 PRESSAVG: 3912200 56.2111 17.8748 89.2214 17.8748 12.5893 3.92013 89.2216 3.92022 -33.5298 GPRESSAVG: 3912200 56.6647 17.828 89.4761 19.0091 12.5463 1.3056 87.51 4.08355 -33.717 TIMING: 3912200 CPU: 11728.4, 0.00307974/step Wall: 11728.4, 0.00307974/step, 0.930594 hours remaining, 206.402344 MB of memory in use. ENERGY: 3912200 703.2068 2053.3258 1954.9386 111.8751 -206228.4822 17815.3533 0.0000 0.0000 34172.5428 -149417.2399 298.4373 -183589.7826 -149319.4680 297.9606 -31.1066 -1.9730 559732.4606 11.7569 11.8313 LDB: ============= START OF LOAD BALANCING ============== 11731.8 LDB: ============== END OF LOAD BALANCING =============== 11731.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11731.9 LDB: ============= START OF LOAD BALANCING ============== 11732.2 LDB: Largest compute 4820 load 0.025355 is 21.5% of average load 0.118054 LDB: Average compute 0.001727 is 1.5% of average load 0.118054 LDB: TIME 11732.2 LOAD: AVG 0.118054 MAX 0.222928 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.781 MB LDB: TIME 11732.2 LOAD: AVG 0.118054 MAX 0.222928 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.988 MB LDB: TIME 11732.2 LOAD: AVG 0.118054 MAX 0.222928 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.988 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11732.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11732.2 PRESSURE: 3912400 16.2784 21.6683 -59.5429 21.668 -20.3059 93.3567 -59.543 93.3562 -225.246 GPRESSURE: 3912400 45.6188 14.3584 -128.729 72.4107 -22.4801 88.7252 -16.0012 116.492 -172.916 PRESSAVG: 3912400 0.148247 51.8897 6.56698 51.8897 -69.8696 2.12461 6.56695 2.12467 64.8671 GPRESSAVG: 3912400 0.0647098 51.3751 7.7769 51.2656 -69.1827 3.51999 5.98651 1.68776 63.8361 TIMING: 3912400 CPU: 11729, 0.00314503/step Wall: 11729, 0.00314503/step, 0.950148 hours remaining, 208.253906 MB of memory in use. ENERGY: 3912400 709.1341 2070.0614 1964.0511 101.5790 -206192.4360 17728.3531 0.0000 0.0000 34255.3278 -149363.9295 299.1603 -183619.2573 -149268.1397 298.7485 -76.4245 -49.9256 559587.8468 -1.6181 -1.7606 PRESSURE: 3912600 -56.3514 91.9376 18.0448 91.9381 -250.258 14.9606 18.045 14.9612 104.632 GPRESSURE: 3912600 -50.6991 138.997 28.2593 87.5427 -188.748 10.0301 58.4674 -43.6681 129.687 PRESSAVG: 3912600 -71.9302 32.9762 -12.9592 32.9762 -30.7045 33.4894 -12.9591 33.4893 102.634 GPRESSAVG: 3912600 -72.4793 33.4731 -13.1884 32.7384 -31.8243 35.5661 -10.1821 31.542 104.151 TIMING: 3912600 CPU: 11729.7, 0.00306647/step Wall: 11729.7, 0.00306647/step, 0.926245 hours remaining, 208.324219 MB of memory in use. ENERGY: 3912600 740.5219 2106.6000 1939.7015 112.6691 -206129.2127 17735.3090 0.0000 0.0000 34161.6112 -149332.8000 298.3418 -183494.4112 -149236.5903 298.5199 -67.3255 -36.5867 558776.4756 -0.0004 -0.0507 PRESSURE: 3912800 96.8286 136.573 31.9356 136.573 38.8002 -93.6608 31.9363 -93.6614 324.232 GPRESSURE: 3912800 143.652 74.6285 -102.626 103.468 22.9936 -133.344 104.049 -40.6073 385.793 PRESSAVG: 3912800 -59.6516 8.06174 -2.72362 8.0618 18.8596 43.1632 -2.72347 43.1631 23.8764 GPRESSAVG: 3912800 -59.2615 8.48858 -4.08766 8.48806 18.7036 42.6206 -2.63567 45.021 24.0045 TIMING: 3912800 CPU: 11730.3, 0.00303385/step Wall: 11730.3, 0.00303385/step, 0.916223 hours remaining, 208.324219 MB of memory in use. ENERGY: 3912800 756.3390 2107.4337 1953.1560 106.4629 -206671.7303 18139.5439 0.0000 0.0000 34142.6710 -149466.1238 298.1764 -183608.7948 -149368.5484 298.3225 153.2870 184.1465 557191.5018 -5.6385 -5.5178 PRESSURE: 3913000 51.3496 -115.91 79.3874 -115.91 156.408 309.844 79.3891 309.844 -34.0842 GPRESSURE: 3913000 57.2448 -202.527 59.8121 -11.5708 203.728 277.521 174.152 246.506 19.5695 PRESSAVG: 3913000 -26.188 7.70169 -27.6715 7.70173 22.2614 46.2028 -27.6715 46.2028 67.1067 GPRESSAVG: 3913000 -26.8329 6.95782 -27.7733 6.89035 22.9512 44.9536 -27.8328 45.0533 66.8618 TIMING: 3913000 CPU: 11730.9, 0.00304901/step Wall: 11730.9, 0.00304901/step, 0.920632 hours remaining, 208.324219 MB of memory in use. ENERGY: 3913000 755.6197 2072.0478 1936.0644 117.7075 -206392.1782 17857.5421 0.0000 0.0000 34338.7679 -149314.4289 299.8890 -183653.1968 -149218.1682 299.1225 57.8913 93.5142 556876.4382 21.0600 20.9933 PRESSURE: 3913200 -137.303 -58.565 34.4469 -58.5639 -60.9619 25.2418 34.4475 25.2399 66.4942 GPRESSURE: 3913200 -71.1016 -163.282 -0.30886 -20.6108 -60.1039 49.8067 18.8456 38.9993 102.135 PRESSAVG: 3913200 -47.6005 39.5842 -77.2032 39.5842 24.5247 47.568 -77.2033 47.568 1.05101 GPRESSAVG: 3913200 -46.332 39.4047 -75.9507 40.4767 23.0764 49.2933 -77.3449 49.1164 2.02539 TIMING: 3913200 CPU: 11731.5, 0.00306501/step Wall: 11731.5, 0.00306501/step, 0.925293 hours remaining, 208.324219 MB of memory in use. ENERGY: 3913200 760.6716 2115.8499 1950.0712 108.0264 -206495.1893 17968.0108 0.0000 0.0000 34313.2018 -149279.3575 299.6657 -183592.5593 -149180.5756 299.8347 -43.9235 -9.6902 558943.6824 -7.3416 -7.0767 PRESSURE: 3913400 -352.655 61.8673 84.939 61.8681 -255.703 120.016 84.9403 120.015 -490.575 GPRESSURE: 3913400 -326.852 82.7376 87.524 139.759 -233.445 168.114 122.534 162.744 -443.034 PRESSAVG: 3913400 -32.0736 38.2698 -23.1062 38.2698 17.6709 18.7553 -23.1061 18.7554 -28.1319 GPRESSAVG: 3913400 -33.5757 37.3652 -25.5197 39.8843 19.0255 17.3059 -22.7408 17.2202 -27.7363 TIMING: 3913400 CPU: 11732.1, 0.00301736/step Wall: 11732.1, 0.00301737/step, 0.910741 hours remaining, 208.324219 MB of memory in use. ENERGY: 3913400 760.5337 2101.3867 1936.5336 121.0002 -205907.6050 17503.2532 0.0000 0.0000 34142.3978 -149342.4998 298.1741 -183484.8975 -149242.0005 298.6450 -366.3108 -334.4436 559883.1044 -14.1782 -14.0955 PRESSURE: 3913600 -377.37 -55.4471 -10.9205 -55.4476 -196.019 -14.7161 -10.9209 -14.7155 -16.7354 GPRESSURE: 3913600 -403.992 -31.886 93.8491 -82.8713 -159.803 -68.7992 -60.6469 -18.8974 71.6887 PRESSAVG: 3913600 -81.9086 30.308 -23.9606 30.308 103.348 35.3432 -23.9606 35.3433 -10.0302 GPRESSAVG: 3913600 -82.2952 31.854 -21.4456 27.6213 103.31 36.245 -25.4927 34.9955 -9.47604 TIMING: 3913600 CPU: 11732.7, 0.00303926/step Wall: 11732.7, 0.00303926/step, 0.917181 hours remaining, 208.324219 MB of memory in use. ENERGY: 3913600 761.5175 2169.8221 1930.1908 105.8954 -206306.9643 17759.9274 0.0000 0.0000 34265.7666 -149313.8445 299.2515 -183579.6111 -149208.6586 298.7857 -196.7081 -164.0355 559580.1103 3.8030 3.8463 PRESSURE: 3913800 -63.1616 -159.94 -100.115 -159.94 3.1016 -127.091 -100.116 -127.092 -266.513 GPRESSURE: 3913800 -89.3591 -200.018 -159.992 -73.2384 82.5148 -136.55 -74.7075 -205.289 -216.399 PRESSAVG: 3913800 -96.096 41.5267 -58.7316 41.5268 75.9169 0.581186 -58.7316 0.581027 24.8073 GPRESSAVG: 3913800 -95.0964 40.3442 -62.5171 43.8046 76.7798 -1.57243 -56.7642 1.65781 23.5625 TIMING: 3913800 CPU: 11733.3, 0.00303128/step Wall: 11733.3, 0.00303128/step, 0.914605 hours remaining, 208.324219 MB of memory in use. ENERGY: 3913800 733.9401 2096.0545 1950.7301 113.6215 -206052.4799 17794.0597 0.0000 0.0000 34050.1770 -149313.8970 297.3687 -183364.0740 -149214.2249 298.7334 -108.8575 -74.4145 559607.1679 1.5427 1.7486 PRESSURE: 3914000 -172.549 52.4099 10.4117 52.4099 28.7363 77.2878 10.4119 77.2885 -383.097 GPRESSURE: 3914000 -61.9376 7.1207 13.8597 44.29 -7.87709 42.7095 14.8199 42.6194 -345.838 PRESSAVG: 3914000 -6.21845 21.7967 -55.998 21.7967 31.8483 -36.6554 -55.9981 -36.6553 -3.07658 GPRESSAVG: 3914000 -6.02289 21.8876 -52.696 20.8833 30.9222 -34.5774 -57.8863 -38.8787 -2.23317 TIMING: 3914000 CPU: 11733.9, 0.00304851/step Wall: 11733.9, 0.00304851/step, 0.919632 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: 3914000 764.4188 2069.7825 1949.7907 110.1349 -206118.4845 17729.9484 0.0000 0.0000 34333.1308 -149161.2784 299.8398 -183494.4092 -149061.6024 299.9784 -175.6365 -138.5509 558551.0921 7.5177 7.5554 PRESSURE: 3914200 -317.266 32.3598 -85.8113 32.3605 -232.163 -28.2389 -85.8127 -28.2382 -48.712 GPRESSURE: 3914200 -298.667 -37.3526 -112.054 82.3046 -246.602 -68.9347 -57.4367 -95.2242 54.8447 PRESSAVG: 3914200 0.63682 -55.7922 33.5131 -55.7922 -23.3809 -45.0006 33.513 -45.0006 37.9581 GPRESSAVG: 3914200 0.90781 -54.0621 32.6965 -58.4281 -23.6604 -42.9969 34.7038 -45.0992 38.0566 TIMING: 3914200 CPU: 11734.5, 0.00308512/step Wall: 11734.5, 0.00308512/step, 0.930505 hours remaining, 208.324219 MB of memory in use. ENERGY: 3914200 750.7052 2090.8054 1926.5911 105.6755 -205987.0971 17535.0288 0.0000 0.0000 34337.5860 -149240.7050 299.8787 -183578.2911 -149150.3732 299.3637 -199.3804 -163.4751 558042.9557 5.0714 5.1014 PRESSURE: 3914400 -272.858 -61.8296 -59.5779 -61.828 -272.847 -46.6151 -59.5766 -46.6156 -188.96 GPRESSURE: 3914400 -259.717 -105.297 18.1198 -115.183 -252.286 22.6124 -78.3497 -80.2086 -130.982 PRESSAVG: 3914400 -28.3995 -29.3698 -75.213 -29.3696 56.9749 -30.2414 -75.213 -30.2414 -1.05962 GPRESSAVG: 3914400 -27.0902 -30.6335 -75.3196 -26.4266 57.2422 -33.6815 -75.5157 -28.1805 -2.76442 TIMING: 3914400 CPU: 11735.1, 0.00307829/step Wall: 11735.1, 0.00307829/step, 0.928276 hours remaining, 208.324219 MB of memory in use. ENERGY: 3914400 743.9271 2097.2268 1950.9237 128.2398 -205912.3091 17456.3680 0.0000 0.0000 34299.4063 -149236.2174 299.5452 -183535.6236 -149144.8145 299.7567 -244.8885 -214.3282 559318.9615 9.1719 9.1292 PRESSURE: 3914600 -163.59 161.767 -116.636 161.768 19.2899 -86.8775 -116.638 -86.8785 -106.243 GPRESSURE: 3914600 -168.025 46.2625 -184.4 181.536 59.7402 -58.3891 21.4788 -134.472 -41.911 PRESSAVG: 3914600 19.6652 5.79394 -33.9074 5.79388 11.548 3.81262 -33.9074 3.81267 -32.2652 GPRESSAVG: 3914600 19.7208 7.70752 -34.6481 2.91602 11.48 5.00812 -33.7133 0.818611 -32.0031 TIMING: 3914600 CPU: 11735.8, 0.00306817/step Wall: 11735.8, 0.00306817/step, 0.925053 hours remaining, 208.324219 MB of memory in use. ENERGY: 3914600 698.9707 1987.0073 1921.5833 103.2507 -206118.2027 17785.0378 0.0000 0.0000 34253.6769 -149368.6759 299.1459 -183622.3528 -149269.5044 298.7056 -83.5145 -50.0653 558231.1177 -0.3507 -0.2674 PRESSURE: 3914800 -187.322 81.7339 -97.0182 81.7346 -222.247 -99.2026 -97.0179 -99.2018 -121.953 GPRESSURE: 3914800 -152.152 92.7065 -60.5801 90.1527 -162.963 -81.1214 -119.954 -157.546 -105.85 PRESSAVG: 3914800 18.6638 0.0644128 -46.6996 0.0645053 44.6514 -35.5782 -46.6996 -35.5782 -39.2668 GPRESSAVG: 3914800 17.6206 -2.79738 -46.7739 2.46285 43.8729 -37.194 -45.8554 -31.1754 -38.0241 TIMING: 3914800 CPU: 11736.4, 0.00306501/step Wall: 11736.4, 0.00306501/step, 0.923931 hours remaining, 208.324219 MB of memory in use. ENERGY: 3914800 722.3638 2162.7043 1924.2813 99.4946 -206156.2149 17659.1521 0.0000 0.0000 34075.1257 -149513.0932 297.5865 -183588.2189 -149416.9075 298.2473 -177.1741 -140.3218 556953.2412 8.0162 7.8231 PRESSURE: 3915000 31.9252 23.873 -19.2531 23.8734 -76.7068 -81.151 -19.2527 -81.1518 330.604 GPRESSURE: 3915000 59.6514 104.232 44.2823 16.4102 -27.636 -88.046 -22.818 4.95026 350.056 PRESSAVG: 3915000 -19.9245 47.2535 1.02054 47.2535 -29.3967 -47.8693 1.02048 -47.8693 60.4834 GPRESSAVG: 3915000 -19.6327 50.3309 2.29474 46.4909 -28.4985 -46.6784 1.01693 -46.5662 59.9465 TIMING: 3915000 CPU: 11737, 0.00309299/step Wall: 11737, 0.00309299/step, 0.932194 hours remaining, 208.324219 MB of memory in use. ENERGY: 3915000 752.0905 2067.4718 1961.2368 106.6029 -206151.8803 17802.6404 0.0000 0.0000 34046.0554 -149415.7826 297.3327 -183461.8380 -149319.6125 297.9830 95.2743 127.3571 556512.4879 3.7207 3.9384 PRESSURE: 3915200 -90.7534 78.8134 -106.216 78.8142 67.6086 -77.4211 -106.217 -77.4216 -34.1851 GPRESSURE: 3915200 -76.0157 -6.65848 -223.887 50.6425 75.3306 -97.0238 45.9632 -82.6818 28.8285 PRESSAVG: 3915200 -44.9348 53.7978 35.2876 53.7978 36.2307 -46.0355 35.2876 -46.0355 13.1898 GPRESSAVG: 3915200 -45.5938 52.961 34.1911 53.9325 36.7557 -45.3451 35.7588 -48.3621 12.6863 TIMING: 3915200 CPU: 11737.6, 0.00307411/step Wall: 11737.6, 0.00307411/step, 0.926331 hours remaining, 208.324219 MB of memory in use. ENERGY: 3915200 750.1672 2072.0022 1922.7005 125.6575 -206754.2767 18116.6051 0.0000 0.0000 34235.3421 -149531.8023 298.9858 -183767.1443 -149440.9904 298.5456 -19.1100 9.3811 556382.3106 1.4952 1.2827 PRESSURE: 3915400 22.3523 -43.3764 30.2039 -43.3753 -48.2194 -98.7335 30.2031 -98.7344 247.472 GPRESSURE: 3915400 41.6892 -140.423 -53.8175 17.8011 62.9983 -70.695 120.708 -85.316 232.927 PRESSAVG: 3915400 24.635 -18.2076 20.2734 -18.2076 27.2994 34.4216 20.2734 34.4217 -37.7706 GPRESSAVG: 3915400 24.3954 -19.8458 19.5393 -17.854 26.0808 33.8122 19.0568 33.9252 -36.5519 TIMING: 3915400 CPU: 11738.2, 0.00306487/step Wall: 11738.2, 0.00306487/step, 0.923379 hours remaining, 208.324219 MB of memory in use. ENERGY: 3915400 777.4626 2067.8084 1937.1850 115.2248 -206676.1877 18120.6521 0.0000 0.0000 34233.2046 -149424.6503 298.9671 -183657.8549 -149329.6394 298.8664 73.8682 112.5381 556870.8602 4.7213 4.6414 PRESSURE: 3915600 -134.363 77.015 24.9868 77.0138 -157.46 -87.4659 24.986 -87.466 -192.705 GPRESSURE: 3915600 -146.561 73.8256 55.6882 17.4558 -111.278 -109.332 -35.8156 16.9132 -135.095 PRESSAVG: 3915600 -18.1942 4.25941 61.9707 4.25943 -3.32319 15.6425 61.971 15.6425 25.2829 GPRESSAVG: 3915600 -17.2392 1.94352 62.3167 8.11092 -3.64288 15.6502 61.8588 15.1716 24.4902 TIMING: 3915600 CPU: 11738.8, 0.00304951/step Wall: 11738.8, 0.00304951/step, 0.918581 hours remaining, 208.324219 MB of memory in use. ENERGY: 3915600 760.0563 2112.8438 1923.8694 105.4079 -206049.0828 17657.3153 0.0000 0.0000 34243.5270 -149246.0631 299.0572 -183489.5902 -149160.8338 299.4453 -161.5094 -130.9779 558362.0416 1.2552 1.2027 PRESSURE: 3915800 -88.7521 -145.797 166.06 -145.798 -236.814 -103.415 166.06 -103.415 -126.621 GPRESSURE: 3915800 -42.701 -200.052 168.365 -96.5365 -180.129 -129.781 240.869 -159.777 -135.82 PRESSAVG: 3915800 37.7739 -22.9768 47.1175 -22.9769 8.91959 9.41061 47.1174 9.41061 -24.8674 GPRESSAVG: 3915800 37.5822 -20.2187 47.9492 -26.2399 8.37331 7.93656 46.6977 11.4332 -24.7719 TIMING: 3915800 CPU: 11739.4, 0.00305136/step Wall: 11739.4, 0.00305136/step, 0.918969 hours remaining, 208.324219 MB of memory in use. ENERGY: 3915800 755.2338 2094.6345 1935.2503 114.8838 -206074.7704 17589.8786 0.0000 0.0000 34225.0736 -149359.8157 298.8961 -183584.8894 -149261.7920 298.8015 -150.7291 -119.5499 557549.9014 7.2753 7.0612 PRESSURE: 3916000 -155.476 57.9908 25.7305 57.9899 -115.174 -66.3292 25.7303 -66.3301 70.2133 GPRESSURE: 3916000 -123.59 63.7102 109.929 40.3036 -91.5193 -33.7207 -7.56491 -65.9025 114.337 PRESSAVG: 3916000 21.2572 -34.3965 24.9095 -34.3965 37.5494 25.3138 24.9095 25.3137 -58.7021 GPRESSAVG: 3916000 21.0193 -35.0782 24.4168 -33.5756 37.5897 26.8211 25.4285 23.3131 -58.8296 TIMING: 3916000 CPU: 11740, 0.0030514/step Wall: 11740, 0.0030514/step, 0.918811 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: 3916000 758.6054 2034.4072 1964.9364 114.7088 -206207.3930 17656.9254 0.0000 0.0000 34330.1397 -149347.6700 299.8136 -183677.8097 -149253.4761 299.2598 -66.8121 -33.5909 557897.1850 0.0348 -0.0735 PRESSURE: 3916200 -65.7116 -17.2917 -35.2726 -17.2914 -5.64947 18.1551 -35.2725 18.156 92.4772 GPRESSURE: 3916200 -21.3142 21.3704 -57.2126 -53.5736 46.1051 11.9025 -87.6793 -29.4498 96.0642 PRESSAVG: 3916200 48.8018 -13.9191 -12.0618 -13.9192 13.5557 -80.4438 -12.0618 -80.4438 -65.5665 GPRESSAVG: 3916200 48.1824 -14.6245 -11.8319 -14.7997 15.6812 -80.4776 -13.919 -81.1852 -66.514 TIMING: 3916200 CPU: 11740.7, 0.0030539/step Wall: 11740.7, 0.0030539/step, 0.919393 hours remaining, 208.324219 MB of memory in use. ENERGY: 3916200 789.5895 2060.1962 1931.1144 109.9406 -206426.2858 18019.1496 0.0000 0.0000 34205.9891 -149310.3066 298.7294 -183516.2956 -149213.7140 299.4330 7.0387 40.2850 558261.0015 -1.0697 -0.8835 LDB: ============= START OF LOAD BALANCING ============== 11744.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11744.1 LDB: =============== DONE WITH MIGRATION ================ 11744.1 LDB: ============= START OF LOAD BALANCING ============== 11744.4 LDB: Largest compute 4820 load 0.024544 is 20.8% of average load 0.118144 LDB: Average compute 0.001742 is 1.5% of average load 0.118144 LDB: TIME 11744.4 LOAD: AVG 0.118144 MAX 0.219245 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.582 MB LDB: TIME 11744.4 LOAD: AVG 0.118144 MAX 0.219245 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.582 MB LDB: TIME 11744.4 LOAD: AVG 0.118144 MAX 0.219245 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.582 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11744.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11744.4 PRESSURE: 3916400 -30.8281 125.433 -7.64457 125.432 63.3019 81.2244 -7.64523 81.2248 -91.035 GPRESSURE: 3916400 -5.55249 7.52402 -2.24655 102.17 116.052 146.282 67.105 93.457 -87.4076 PRESSAVG: 3916400 -10.0084 37.4888 -23.93 37.4887 -7.73509 3.96377 -23.93 3.96377 -2.21076 GPRESSAVG: 3916400 -10.8349 37.4512 -25.4841 37.3889 -9.4637 1.62512 -22.509 6.40231 -0.244604 TIMING: 3916400 CPU: 11741.3, 0.00310108/step Wall: 11741.3, 0.00310108/step, 0.933424 hours remaining, 208.179688 MB of memory in use. ENERGY: 3916400 744.0865 2055.1641 1937.7831 117.9080 -206506.9252 17896.2528 0.0000 0.0000 34299.3941 -149456.3366 299.5451 -183755.7307 -149364.0275 299.0386 -19.5204 7.6973 557603.5492 -6.6514 -6.8477 PRESSURE: 3916600 10.323 216.317 159.329 216.318 266.201 -107.206 159.329 -107.206 107.333 GPRESSURE: 3916600 83.216 179.15 127.254 189.509 268.423 -45.7273 137.869 -207.31 127.389 PRESSAVG: 3916600 47.1165 26.5088 43.868 26.5088 -3.27849 6.59611 43.8679 6.59616 -69.8698 GPRESSAVG: 3916600 48.1669 27.9893 44.5197 26.1223 -3.64499 8.79946 43.1414 3.90018 -70.6377 TIMING: 3916600 CPU: 11741.9, 0.00302756/step Wall: 11741.9, 0.00302756/step, 0.911127 hours remaining, 208.378906 MB of memory in use. ENERGY: 3916600 702.2384 2024.8192 1938.1974 125.5863 -206242.7992 17800.6073 0.0000 0.0000 34091.3066 -149560.0438 297.7279 -183651.3505 -149463.4334 298.0636 127.9523 159.6761 557369.4645 -8.6773 -8.7053 PRESSURE: 3916800 -34.1854 108.301 -67.6451 108.3 85.2528 -108.342 -67.6455 -108.342 26.0233 GPRESSURE: 3916800 -9.90601 111.088 -21.7939 104.575 75.6324 -66.9018 -117.866 -87.8664 100.94 PRESSAVG: 3916800 11.8227 -23.5364 5.01253 -23.5365 17.0306 28.6652 5.01242 28.6653 -15.1268 GPRESSAVG: 3916800 12.5472 -22.5584 5.38781 -22.6368 16.7145 27.827 5.79763 29.876 -15.3951 TIMING: 3916800 CPU: 11742.5, 0.00307898/step Wall: 11742.5, 0.00307898/step, 0.926432 hours remaining, 208.378906 MB of memory in use. ENERGY: 3916800 727.6492 2056.2601 1913.2567 102.0454 -206346.0660 17763.4197 0.0000 0.0000 34176.2340 -149607.2009 298.4696 -183783.4350 -149516.5868 298.4380 25.6969 55.5555 555726.7244 4.5755 4.6222 PRESSURE: 3917000 -193.015 -71.9371 15.6559 -71.9371 -297.167 -49.9534 15.6557 -49.9559 -213.03 GPRESSURE: 3917000 -230.549 -67.4635 59.7425 -112.343 -248.214 -62.5373 31.902 -40.895 -129.7 PRESSAVG: 3917000 -28.4277 -63.5437 8.05266 -63.5438 -7.19682 -27.3058 8.05268 -27.3059 43.9291 GPRESSAVG: 3917000 -29.4091 -64.9613 8.86556 -64.8084 -7.14907 -26.7243 6.21586 -28.0409 44.644 TIMING: 3917000 CPU: 11743.1, 0.00309381/step Wall: 11743.1, 0.00309381/step, 0.93072 hours remaining, 208.378906 MB of memory in use. ENERGY: 3917000 767.8270 2107.0457 1929.3829 122.0190 -206121.9873 17581.6902 0.0000 0.0000 33914.4994 -149699.5232 296.1838 -183614.0226 -149607.7052 297.1430 -234.4038 -202.8211 556312.0545 2.7682 2.6953 PRESSURE: 3917200 -64.2942 204.603 88.2134 204.6 -116.545 -15.7952 88.2122 -15.7956 192.196 GPRESSURE: 3917200 -17.1434 84.566 76.6426 195.977 -82.2601 82.745 96.8167 -44.3897 211.715 PRESSAVG: 3917200 5.60946 39.9445 -22.4049 39.9445 -17.9172 -23.1643 -22.405 -23.1642 11.6712 GPRESSAVG: 3917200 5.94249 39.3501 -24.0504 42.1773 -18.6608 -22.3751 -21.8419 -22.4021 11.7036 TIMING: 3917200 CPU: 11743.7, 0.00309474/step Wall: 11743.7, 0.00309474/step, 0.930828 hours remaining, 208.378906 MB of memory in use. ENERGY: 3917200 726.3508 2006.0338 1933.4810 107.2523 -206440.3616 18066.1943 0.0000 0.0000 34106.5716 -149494.4779 297.8612 -183601.0495 -149396.3188 298.3377 3.7854 37.4373 556934.3754 -0.2122 -0.3382 PRESSURE: 3917400 -11.348 45.3084 -61.7998 45.3079 30.9486 46.4271 -61.8007 46.4265 -168.769 GPRESSURE: 3917400 8.5854 118.092 -8.98756 22.9336 54.3503 -4.7974 -76.9973 69.3871 -103.269 PRESSAVG: 3917400 22.4012 30.631 35.5122 30.6309 14.7686 -42.4264 35.5122 -42.4265 -68.0763 GPRESSAVG: 3917400 21.1382 32.7284 36.6132 26.9797 15.2789 -44.7842 37.9163 -41.9017 -67.1799 TIMING: 3917400 CPU: 11744.3, 0.00306757/step Wall: 11744.3, 0.00306757/step, 0.922486 hours remaining, 208.378906 MB of memory in use. ENERGY: 3917400 736.5945 2093.5179 1940.4265 114.2496 -206177.6432 17750.0314 0.0000 0.0000 34157.6893 -149385.1341 298.3076 -183542.8233 -149292.6468 298.7599 -49.7230 -13.4444 557011.5780 -10.3022 -10.2542 PRESSURE: 3917600 -205.864 -63.1176 45.5864 -63.1196 -101.242 243.528 45.5858 243.529 -52.4915 GPRESSURE: 3917600 -181.678 -102.587 90.8779 -60.0357 -30.8508 261.336 82.8337 243.851 -62.624 PRESSAVG: 3917600 -38.0392 41.8072 -26.2881 41.8073 47.6792 40.375 -26.2882 40.375 -3.5553 GPRESSAVG: 3917600 -37.9202 38.996 -26.5555 45.3376 47.5724 41.1176 -27.5241 41.3498 -4.10938 TIMING: 3917600 CPU: 11745, 0.0030925/step Wall: 11745, 0.0030925/step, 0.92981 hours remaining, 208.378906 MB of memory in use. ENERGY: 3917600 736.0352 2096.5580 1893.4774 112.3107 -205801.5915 17545.8141 0.0000 0.0000 33937.3125 -149480.0836 296.3830 -183417.3960 -149377.9916 298.4720 -119.8658 -91.7177 558318.0842 2.0282 1.8476 PRESSURE: 3917800 301.227 -132.855 -89.6346 -132.855 -69.7517 -36.7521 -89.634 -36.7536 136.635 GPRESSURE: 3917800 333.183 -114.58 -54.6275 -180.123 -15.7108 -65.941 -49.3313 -39.4433 147.909 PRESSAVG: 3917800 28.2061 -11.7738 -23.1145 -11.7739 1.6867 -11.7902 -23.1145 -11.7903 -4.85235 GPRESSAVG: 3917800 28.4829 -11.2125 -23.2402 -11.5992 0.89137 -9.91202 -23.4414 -13.0612 -3.95804 TIMING: 3917800 CPU: 11745.6, 0.00304484/step Wall: 11745.6, 0.00304484/step, 0.915312 hours remaining, 208.378906 MB of memory in use. ENERGY: 3917800 785.3702 2067.6846 1934.7011 117.8121 -206562.6128 18043.6199 0.0000 0.0000 34063.2021 -149550.2228 297.4824 -183613.4248 -149448.1825 297.7488 122.7033 155.1270 556711.4608 8.3468 8.4721 PRESSURE: 3918000 -96.8412 -91.5954 17.075 -91.5942 -144.963 -53.5972 17.0762 -53.5957 -238.938 GPRESSURE: 3918000 -117.246 -84.5447 47.2492 -84.9464 -46.9916 -61.5101 -23.872 -53.4257 -214.433 PRESSAVG: 3918000 15.3066 10.8389 -20.2595 10.8389 32.5024 -51.1483 -20.2595 -51.1483 -57.5688 GPRESSAVG: 3918000 14.6377 10.7021 -20.8079 12.6132 33.3212 -50.9439 -19.911 -51.7809 -57.6743 TIMING: 3918000 CPU: 11746.2, 0.00303536/step Wall: 11746.2, 0.00303536/step, 0.912295 hours remaining, 208.378906 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: 3918000 736.2588 2089.2832 1896.3936 104.4224 -206142.8805 17587.0685 0.0000 0.0000 34381.6954 -149347.7586 300.2639 -183729.4540 -149251.5689 298.9195 -160.2473 -126.2235 558288.6473 -3.2532 -3.2385 PRESSURE: 3918200 317.91 -50.6967 71.7586 -50.6963 -220.889 51.3636 71.7578 51.3637 41.1962 GPRESSURE: 3918200 341.715 12.171 116.494 -113.009 -188.233 58.5401 136.144 59.1575 80.9094 PRESSAVG: 3918200 -14.9594 -32.2673 -33.9568 -32.2673 -29.6487 -11.3926 -33.9568 -11.3925 15.0152 GPRESSAVG: 3918200 -14.4303 -31.2398 -34.0153 -33.7658 -29.9885 -11.8269 -33.0052 -10.7826 14.807 TIMING: 3918200 CPU: 11746.8, 0.00303561/step Wall: 11746.8, 0.00303561/step, 0.912202 hours remaining, 208.378906 MB of memory in use. ENERGY: 3918200 734.8495 2093.0547 1915.7801 111.5639 -206291.5260 17954.0635 0.0000 0.0000 34210.6442 -149271.5700 298.7701 -183482.2143 -149176.1151 299.2495 46.0724 78.1306 558060.4697 -9.8643 -9.8706 PRESSURE: 3918400 77.5598 93.6541 -24.0639 93.655 18.2983 -17.9407 -24.0643 -17.9406 140.496 GPRESSURE: 3918400 86.3439 75.988 23.5924 77.0094 43.1818 -40.9056 -14.1654 -78.9023 209.776 PRESSAVG: 3918400 19.0296 -11.4338 35.853 -11.4337 -34.4979 -24.5553 35.8531 -24.5552 -5.40928 GPRESSAVG: 3918400 18.4146 -13.2298 36.1759 -11.1838 -33.956 -25.2277 34.4175 -24.406 -5.34784 TIMING: 3918400 CPU: 11747.4, 0.00306106/step Wall: 11747.4, 0.00306106/step, 0.919679 hours remaining, 208.378906 MB of memory in use. ENERGY: 3918400 738.1576 2068.3335 1921.5416 97.4946 -206423.9506 17756.5277 0.0000 0.0000 34475.1811 -149366.7145 301.0803 -183841.8956 -149273.0871 298.7950 78.7847 113.1006 555286.5708 -6.9592 -6.9631 PRESSURE: 3918600 -53.7707 157.176 227.266 157.177 -182.489 24.0426 227.265 24.0455 -292.416 GPRESSURE: 3918600 -38.3019 256.093 253.02 117.891 -100.051 -6.00991 192.027 81.4307 -297.389 PRESSAVG: 3918600 47.2974 -15.214 50.3365 -15.214 52.2563 -45.7881 50.3366 -45.7882 -23.8965 GPRESSAVG: 3918600 49.3468 -13.604 51.6444 -17.7957 51.4801 -44.7994 49.7036 -45.9734 -25.0021 TIMING: 3918600 CPU: 11748, 0.00308407/step Wall: 11748, 0.00308407/step, 0.926422 hours remaining, 208.378906 MB of memory in use. ENERGY: 3918600 761.2313 2058.7121 1913.3868 106.7648 -205939.9913 17457.4479 0.0000 0.0000 34290.2514 -149352.1970 299.4653 -183642.4484 -149249.7116 299.2700 -176.2251 -145.2473 557818.4499 25.2191 25.2749 PRESSURE: 3918800 103.946 112.389 -23.6937 112.39 -212.304 -102.312 -23.6949 -102.312 127.274 GPRESSURE: 3918800 221.662 146.309 -62.8123 119.563 -189.532 -167.19 -7.87733 -61.3199 94.9997 PRESSAVG: 3918800 -32.7085 28.076 57.988 28.0761 17.1131 -12.939 57.9881 -12.939 30.0002 GPRESSAVG: 3918800 -35.329 28.4972 58.1723 29.4278 17.6668 -14.4743 60.6104 -12.0803 31.8275 TIMING: 3918800 CPU: 11748.6, 0.00302933/step Wall: 11748.6, 0.00302933/step, 0.909809 hours remaining, 208.378906 MB of memory in use. ENERGY: 3918800 739.6834 2081.6633 1931.9669 125.9837 -206691.9174 17972.2055 0.0000 0.0000 34301.7249 -149538.6895 299.5655 -183840.4144 -149444.2093 298.8106 6.3055 42.3767 556223.1879 4.8016 4.7218 PRESSURE: 3919000 48.5791 -108.428 -141.212 -108.428 258.852 146.203 -141.212 146.203 -36.8941 GPRESSURE: 3919000 96.7866 -122.419 -35.4849 -188.536 238.175 195.747 -184.623 169.906 27.7921 PRESSAVG: 3919000 -32.5538 -43.8801 -5.30257 -43.8801 64.8091 -0.481012 -5.30258 -0.481047 -42.0067 GPRESSAVG: 3919000 -30.7704 -43.7007 -5.05429 -45.2834 63.5573 0.49082 -7.71215 -1.704 -42.8284 TIMING: 3919000 CPU: 11749.2, 0.00304094/step Wall: 11749.2, 0.00304094/step, 0.913125 hours remaining, 208.613281 MB of memory in use. ENERGY: 3919000 738.4180 2045.3433 1942.2548 110.8731 -206725.7689 18019.2933 0.0000 0.0000 34363.3152 -149506.2713 300.1034 -183869.5864 -149408.3742 299.0714 90.1791 120.9178 555976.5797 -3.2505 -3.3472 PRESSURE: 3919200 57.097 -85.3329 -65.7964 -85.3333 -79.2029 -33.0869 -65.7968 -33.0882 -21.9963 GPRESSURE: 3919200 72.2375 1.51992 -88.4108 -146.904 -53.823 3.49301 -33.4527 -76.1205 27.2103 PRESSAVG: 3919200 54.2595 -58.3863 -8.61589 -58.3862 -81.879 35.996 -8.61593 35.996 25.5153 GPRESSAVG: 3919200 55.2116 -59.2002 -8.37265 -57.7951 -81.5265 35.4005 -6.46531 35.3702 24.5266 TIMING: 3919200 CPU: 11749.9, 0.00310726/step Wall: 11749.9, 0.00310726/step, 0.932868 hours remaining, 208.613281 MB of memory in use. ENERGY: 3919200 766.9132 2111.8075 1959.2847 114.4488 -206763.5618 17867.8151 0.0000 0.0000 34423.4009 -149519.8916 300.6281 -183943.2925 -149421.9364 299.3603 -14.7007 15.2083 556323.9461 -0.7014 -0.5961 PRESSURE: 3919400 -82.9113 59.873 -160.088 59.8719 -227.06 15.4668 -160.089 15.4673 84.6875 GPRESSURE: 3919400 -119.444 116.474 -107.874 115.409 -135.007 72.8715 -167.962 -19.1247 128.6 PRESSAVG: 3919400 -4.32645 -33.6648 32.1586 -33.6648 -58.5717 11.6255 32.1585 11.6254 99.4789 GPRESSAVG: 3919400 -4.44113 -31.1823 29.9105 -33.8742 -57.8029 11.0203 32.1886 12.8554 99.105 TIMING: 3919400 CPU: 11750.5, 0.00309079/step Wall: 11750.5, 0.00309079/step, 0.927751 hours remaining, 208.613281 MB of memory in use. ENERGY: 3919400 763.3048 2063.8804 1920.5241 112.8545 -206339.6868 17778.6603 0.0000 0.0000 34331.0486 -149369.4141 299.8216 -183700.4627 -149279.1008 299.1506 -75.0945 -41.9504 556660.0358 12.1936 12.2870 PRESSURE: 3919600 -17.0126 -77.9379 70.4675 -77.9371 38.6324 60.2862 70.4681 60.2867 -231.154 GPRESSURE: 3919600 45.3825 -4.75107 10.4238 -123.368 49.4295 23.2152 95.9174 18.1809 -210.713 PRESSAVG: 3919600 -18.8452 -25.8656 11.5248 -25.8655 -27.913 56.5398 11.5248 56.5399 54.3189 GPRESSAVG: 3919600 -19.8078 -29.7136 13.3756 -24.6097 -27.5983 55.7557 9.34534 54.1657 54.3634 TIMING: 3919600 CPU: 11751.1, 0.00309327/step Wall: 11751.1, 0.00309327/step, 0.928326 hours remaining, 208.613281 MB of memory in use. ENERGY: 3919600 739.3448 2115.4930 1936.9514 120.8799 -206163.4255 17782.4248 0.0000 0.0000 34262.5098 -149205.8220 299.2230 -183468.3317 -149112.8366 299.4545 -69.8447 -38.6335 557771.7068 2.5203 2.3191 PRESSURE: 3919800 -433.208 -12.4519 112.221 -12.4518 -230.93 26.9572 112.221 26.9576 -19.8406 GPRESSURE: 3919800 -385.211 -91.4902 176.986 36.7319 -195.13 45.698 19.3586 76.5807 -9.22726 PRESSAVG: 3919800 30.0179 -6.42383 29.6872 -6.42377 -3.83613 -62.6405 29.6873 -62.6405 9.81516 GPRESSAVG: 3919800 29.7582 -6.48566 28.9003 -4.25726 -3.75922 -61.3116 32.9637 -61.0091 10.3964 TIMING: 3919800 CPU: 11751.7, 0.0030441/step Wall: 11751.7, 0.0030441/step, 0.913399 hours remaining, 208.613281 MB of memory in use. ENERGY: 3919800 756.4232 2102.2371 1940.5126 102.6808 -205787.5097 17430.2490 0.0000 0.0000 34080.7543 -149374.6526 297.6357 -183455.4069 -149281.7147 298.6447 -227.9928 -196.5229 557776.7871 11.9990 12.1318 PRESSURE: 3920000 -177.297 122.386 -63.7673 122.387 -235.392 -221.492 -63.7673 -221.493 -10.1974 GPRESSURE: 3920000 -94.8599 64.7464 -73.8188 131.831 -174.532 -168.748 -58.8081 -195.363 -59.9882 PRESSAVG: 3920000 10.3126 9.44085 37.4493 9.44079 25.2774 -15.9804 37.4492 -15.9804 6.40261 GPRESSAVG: 3920000 12.162 13.4862 36.5944 4.74267 25.3675 -16.6647 38.8575 -15.6322 4.61618 TIMING: 3920000 CPU: 11752.3, 0.00309339/step Wall: 11752.3, 0.00309339/step, 0.928017 hours remaining, 208.613281 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: 3920000 703.5920 2115.1158 1929.8499 111.9391 -206126.1689 17457.7017 0.0000 0.0000 34397.6123 -149410.3580 300.4029 -183807.9704 -149305.2159 298.4551 -140.9621 -109.7934 556897.2037 13.9975 14.0486 PRESSURE: 3920200 37.504 -115.67 28.5648 -115.67 11.9824 -63.8655 28.5654 -63.8647 157.876 GPRESSURE: 3920200 131.667 -42.8396 22.4165 -254.592 52.018 -72.7611 97.4532 -21.0915 109.126 PRESSAVG: 3920200 10.7864 -12.1318 -13.6288 -12.1318 10.8084 18.3085 -13.6287 18.3085 -11.2698 GPRESSAVG: 3920200 7.84909 -15.3773 -12.5221 -9.89657 12.7089 18.7788 -18.7074 17.6102 -10.0965 TIMING: 3920200 CPU: 11752.9, 0.00309939/step Wall: 11752.9, 0.00309939/step, 0.929645 hours remaining, 208.613281 MB of memory in use. ENERGY: 3920200 766.2558 2083.5266 1936.3638 113.8453 -206214.3037 17854.7567 0.0000 0.0000 34097.8414 -149361.7142 297.7849 -183459.5555 -149264.3143 298.6582 69.1208 97.6035 556684.2248 3.4417 3.4872 LDB: ============= START OF LOAD BALANCING ============== 11756.4 LDB: ============== END OF LOAD BALANCING =============== 11756.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11756.4 LDB: ============= START OF LOAD BALANCING ============== 11756.7 LDB: Largest compute 4820 load 0.025068 is 21.2% of average load 0.118109 LDB: Average compute 0.001734 is 1.5% of average load 0.118109 LDB: TIME 11756.7 LOAD: AVG 0.118109 MAX 0.21875 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 11756.7 LOAD: AVG 0.118109 MAX 0.21875 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: TIME 11756.7 LOAD: AVG 0.118109 MAX 0.21875 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.945 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11756.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11756.7 PRESSURE: 3920400 -59.8926 -37.1495 58.5513 -37.1486 -96.8289 199.787 58.5504 199.785 140.072 GPRESSURE: 3920400 -12.8364 18.8539 0.364894 -14.7258 -73.2337 190.615 144.907 233.152 179.655 PRESSAVG: 3920400 -19.9903 -19.2589 -20.8359 -19.2588 -48.2125 6.59757 -20.8359 6.59758 37.0817 GPRESSAVG: 3920400 -18.2067 -18.525 -21.9427 -19.2778 -49.2115 6.1111 -17.1344 8.16734 36.9603 TIMING: 3920400 CPU: 11753.6, 0.0031341/step Wall: 11753.6, 0.0031341/step, 0.939883 hours remaining, 207.226562 MB of memory in use. ENERGY: 3920400 775.2205 2063.4046 1907.3065 101.9531 -206657.1954 17879.1651 0.0000 0.0000 34629.1659 -149300.9797 302.4251 -183930.1456 -149197.5963 299.0347 -5.5499 31.1951 556107.0515 -10.3737 -10.1526 PRESSURE: 3920600 -17.0099 129.515 -79.9354 129.516 82.7494 -6.68578 -79.935 -6.68368 159.162 GPRESSURE: 3920600 -8.27524 213.521 -42.1303 69.5712 63.2127 -3.37718 -93.5605 -7.9397 260.845 PRESSAVG: 3920600 23.1452 -42.0511 -17.5738 -42.0512 -8.44117 28.7358 -17.5738 28.7357 24.1385 GPRESSAVG: 3920600 22.6606 -42.9344 -17.6347 -41.9129 -9.49795 28.7088 -19.8786 27.2607 25.702 TIMING: 3920600 CPU: 11754.2, 0.00307162/step Wall: 11754.2, 0.00307162/step, 0.920975 hours remaining, 207.226562 MB of memory in use. ENERGY: 3920600 766.0042 2115.4481 1944.2294 118.5031 -206232.8127 17766.6719 0.0000 0.0000 34215.8965 -149306.0596 298.8159 -183521.9561 -149214.6532 299.1610 74.9671 105.2608 557813.1905 12.9475 12.9549 PRESSURE: 3920800 -98.0942 -45.354 -40.1194 -45.3543 -218.613 70.0065 -40.1191 70.0058 23.8488 GPRESSURE: 3920800 -55.9533 76.3712 -29.73 -61.9538 -203.256 180.127 34.6083 52.7238 64.4385 PRESSAVG: 3920800 9.72607 4.65071 -45.3018 4.65068 -10.8109 -18.2375 -45.3018 -18.2376 -8.97104 GPRESSAVG: 3920800 9.84408 6.02505 -43.4335 3.44416 -10.7575 -17.8528 -43.8357 -20.0617 -9.21509 TIMING: 3920800 CPU: 11754.8, 0.00308777/step Wall: 11754.8, 0.00308777/step, 0.925646 hours remaining, 207.226562 MB of memory in use. ENERGY: 3920800 746.9114 2069.0389 1942.2710 110.7255 -206213.1966 17708.9059 0.0000 0.0000 34176.5206 -149458.8232 298.4721 -183635.3438 -149363.1587 299.0588 -97.6195 -64.9237 557451.0174 -3.3520 -3.3762 PRESSURE: 3921000 -243.577 105.722 -51.527 105.723 -95.5494 74.7511 -51.5275 74.7522 -150.586 GPRESSURE: 3921000 -184.872 40.4272 -92.657 128.617 -19.0203 27.4926 -55.9791 41.6273 -190.004 PRESSAVG: 3921000 -11.3373 19.8052 -49.305 19.8052 -25.7867 26.9863 -49.305 26.9864 79.584 GPRESSAVG: 3921000 -11.7798 18.4225 -50.1975 19.5721 -25.2955 28.2696 -48.4033 29.4517 79.3561 TIMING: 3921000 CPU: 11755.4, 0.00306544/step Wall: 11755.4, 0.00306544/step, 0.918781 hours remaining, 207.226562 MB of memory in use. ENERGY: 3921000 717.1689 2054.8782 1916.0592 119.9796 -206015.6576 17613.1712 0.0000 0.0000 34260.5273 -149333.8732 299.2057 -183594.4004 -149240.6886 298.7174 -163.2374 -131.2987 558287.3525 14.1533 14.0936 PRESSURE: 3921200 65.6535 19.0865 -0.115349 19.0865 36.6632 4.02688 -0.114408 4.02659 -31.1795 GPRESSURE: 3921200 116.982 1.5368 -0.460104 -35.9821 51.7484 -118.446 -17.6509 84.768 -2.46982 PRESSAVG: 3921200 37.6713 3.45187 -12.9042 3.45183 13.8765 -18.9654 -12.9044 -18.9654 -16.1391 GPRESSAVG: 3921200 37.8721 4.42688 -11.9837 2.04353 13.7775 -20.2118 -14.2109 -18.9963 -16.9477 TIMING: 3921200 CPU: 11756, 0.00306965/step Wall: 11756, 0.00306965/step, 0.91987 hours remaining, 207.226562 MB of memory in use. ENERGY: 3921200 747.7363 2057.8439 1926.8069 117.3917 -206436.0230 18056.6965 0.0000 0.0000 34200.5250 -149329.0227 298.6817 -183529.5477 -149226.7932 298.7367 23.7124 55.4203 557399.8211 11.8029 11.5673 PRESSURE: 3921400 44.6794 7.64305 12.1504 7.64204 -35.2937 -16.2891 12.1499 -16.2879 144.711 GPRESSURE: 3921400 51.4479 15.9527 -64.1508 3.97107 20.4149 -15.1084 -10.8521 -37.927 190.673 PRESSAVG: 3921400 7.53984 38.4278 -44.471 38.4277 48.1883 20.0243 -44.471 20.0244 -40.8302 GPRESSAVG: 3921400 6.22173 38.2692 -45.048 40.71 49.5684 20.7688 -45.3328 17.958 -40.9089 TIMING: 3921400 CPU: 11756.6, 0.0030794/step Wall: 11756.6, 0.0030794/step, 0.922623 hours remaining, 207.226562 MB of memory in use. ENERGY: 3921400 688.9209 2103.8525 1918.2544 111.8455 -206305.9853 17853.8355 0.0000 0.0000 34344.8635 -149284.4130 299.9422 -183629.2765 -149191.2297 298.7223 51.3656 87.5119 558373.4030 4.9660 4.9604 PRESSURE: 3921600 70.5368 145.493 117.881 145.494 167.851 21.9011 117.881 21.9009 221.708 GPRESSURE: 3921600 72.2426 143.369 16.8323 116.484 207.293 -15.1717 158.897 61.8627 272.487 PRESSAVG: 3921600 40.0042 37.0076 1.12145 37.0076 5.37845 -2.68314 1.12143 -2.68318 -12.3797 GPRESSAVG: 3921600 41.0184 36.5938 -1.04642 36.6439 5.29038 -3.7491 1.89748 -1.75044 -12.9282 TIMING: 3921600 CPU: 11757.3, 0.0030534/step Wall: 11757.3, 0.0030534/step, 0.914664 hours remaining, 207.226562 MB of memory in use. ENERGY: 3921600 713.4791 2088.8334 1941.4377 119.1899 -206114.0742 17826.2036 0.0000 0.0000 34178.2288 -149246.7018 298.4870 -183424.9305 -149154.6914 299.5327 153.3654 184.0074 556997.3475 11.0010 11.1269 PRESSURE: 3921800 -32.8747 97.1512 163.216 97.1521 -267.214 63.7737 163.216 63.7752 91.4904 GPRESSURE: 3921800 -1.81403 96.7361 35.9459 -2.10831 -169.414 66.6076 233.38 12.0456 56.0941 PRESSAVG: 3921800 -0.304432 16.5247 71.7986 16.5247 34.6816 -14.6776 71.7985 -14.6776 -2.73544 GPRESSAVG: 3921800 -0.282526 17.9333 74.5779 16.118 33.734 -14.9782 71.5836 -15.0289 -2.41455 TIMING: 3921800 CPU: 11757.9, 0.00304359/step Wall: 11757.9, 0.00304359/step, 0.911555 hours remaining, 207.226562 MB of memory in use. ENERGY: 3921800 737.7369 2059.4086 1908.4424 113.6336 -205990.4444 17677.0887 0.0000 0.0000 34168.0386 -149326.0957 298.3980 -183494.1342 -149224.4627 299.1214 -69.5329 -38.3781 557395.7671 10.5472 10.3456 PRESSURE: 3922000 55.6712 43.0082 49.3578 43.0068 36.1365 -28.8232 49.3582 -28.8237 -195.832 GPRESSURE: 3922000 78.4253 22.3845 -5.07649 21.6723 25.6837 44.8316 70.1179 -71.0056 -105.999 PRESSAVG: 3922000 -36.6235 -2.69702 -5.3672 -2.69704 23.4108 -31.6208 -5.36715 -31.6208 -3.14047 GPRESSAVG: 3922000 -36.4206 -5.53863 -6.99877 -0.815951 22.6018 -31.0564 -4.88107 -32.2571 -2.57126 TIMING: 3922000 CPU: 11758.5, 0.00304028/step Wall: 11758.5, 0.00304028/step, 0.910395 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: 3922000 749.2359 2022.3791 1947.7617 112.0638 -206258.0875 17780.9054 0.0000 0.0000 34261.3516 -149384.3899 299.2129 -183645.7415 -149286.3297 298.9586 -34.6749 -0.6298 557222.8218 -5.4510 -5.4634 PRESSURE: 3922200 117.118 -61.4319 -94.1145 -61.4324 -1.23474 -162.976 -94.1149 -162.976 55.0978 GPRESSURE: 3922200 153.016 -42.277 -62.4149 -24.9763 20.6864 -133.413 -14.1559 -107.626 82.5988 PRESSAVG: 3922200 38.1976 -85.5413 -61.8865 -85.5413 -23.6022 4.5898 -61.8866 4.58978 -41.4875 GPRESSAVG: 3922200 37.4789 -85.4787 -62.2187 -88.7712 -23.0787 3.90976 -62.3069 6.99198 -41.1843 TIMING: 3922200 CPU: 11759.1, 0.00305617/step Wall: 11759.1, 0.00305617/step, 0.914983 hours remaining, 207.226562 MB of memory in use. ENERGY: 3922200 637.8455 2107.8131 1918.2209 128.6848 -206067.3685 17759.2825 0.0000 0.0000 34081.6210 -149433.9007 297.6433 -183515.5217 -149333.8498 298.4655 56.9937 85.4339 558314.4802 -8.9640 -8.9280 PRESSURE: 3922400 -119.034 22.4215 -144.962 22.4218 -146.953 63.0066 -144.961 63.0048 -52.5403 GPRESSURE: 3922400 -129.897 85.061 -128.986 -28.3429 -98.1917 12.1041 -163.365 83.4362 10.1132 PRESSAVG: 3922400 -29.7875 -2.92485 -18.8212 -2.92493 18.6495 -12.3372 -18.8211 -12.3371 45.1004 GPRESSAVG: 3922400 -29.2377 0.148045 -18.2906 -3.03282 18.8108 -12.1904 -17.9379 -14.1973 44.5715 TIMING: 3922400 CPU: 11759.7, 0.00304081/step Wall: 11759.7, 0.00304081/step, 0.910216 hours remaining, 207.226562 MB of memory in use. ENERGY: 3922400 762.5943 2103.9340 1953.4940 101.8153 -206595.4497 17852.5679 0.0000 0.0000 34284.0942 -149536.9501 299.4115 -183821.0443 -149443.0150 298.2891 -106.1756 -72.6585 557641.4004 11.3208 11.3815 PRESSURE: 3922600 -142.134 7.69802 -328.367 7.69836 -98.8321 2.45907 -328.367 2.45886 -54.2806 GPRESSURE: 3922600 -92.8746 59.9714 -365.238 -31.9936 -61.5397 58.2167 -334.246 18.7415 -37.3936 PRESSAVG: 3922600 -60.7793 13.0507 -10.9387 13.0508 -5.51383 -11.4578 -10.9388 -11.4578 44.2667 GPRESSAVG: 3922600 -61.0932 10.4867 -11.6768 15.4251 -5.77266 -11.5635 -9.2019 -12.3422 44.2745 TIMING: 3922600 CPU: 11760.3, 0.00301659/step Wall: 11760.3, 0.00301659/step, 0.902799 hours remaining, 207.226562 MB of memory in use. ENERGY: 3922600 750.5352 2089.7036 1921.1772 112.1787 -206331.1631 17838.2424 0.0000 0.0000 34225.7836 -149393.5424 298.9023 -183619.3260 -149294.6305 298.3720 -98.4155 -63.9360 559553.7427 -7.3421 -7.5304 PRESSURE: 3922800 -42.7691 -31.0822 -128.635 -31.0815 -156.006 -148.585 -128.635 -148.585 -210.569 GPRESSURE: 3922800 -96.051 -29.5096 -156.428 -22.1904 -81.0722 -46.0672 -52.6763 -168.113 -144.511 PRESSAVG: 3922800 -14.0097 -35.437 -38.929 -35.437 -43.8851 31.3951 -38.929 31.395 32.3687 GPRESSAVG: 3922800 -13.9152 -34.1782 -38.9608 -37.6477 -44.3783 30.9089 -39.5196 31.8135 32.263 TIMING: 3922800 CPU: 11760.9, 0.00304923/step Wall: 11760.9, 0.00304923/step, 0.912399 hours remaining, 207.226562 MB of memory in use. ENERGY: 3922800 749.9754 2125.7997 1962.4685 114.4692 -206556.6088 17842.5890 0.0000 0.0000 34471.4685 -149289.8385 301.0479 -183761.3070 -149194.1476 299.2698 -136.4481 -107.2114 558362.7131 -8.5087 -8.6769 PRESSURE: 3923000 -103.44 41.0021 -129.809 41.0033 -136.792 48.5564 -129.808 48.5575 301.761 GPRESSURE: 3923000 -57.5991 89.9728 -112.994 -40.3991 -56.5647 50.897 -81.5781 85.0475 272.188 PRESSAVG: 3923000 -14.1063 -23.5849 -15.5288 -23.5849 -18.0009 9.97722 -15.5288 9.97717 -5.53214 GPRESSAVG: 3923000 -14.2329 -23.0366 -16.0535 -23.2403 -16.5814 10.2378 -15.0499 12.4686 -6.92913 TIMING: 3923000 CPU: 11761.5, 0.00302745/step Wall: 11761.5, 0.00302745/step, 0.905711 hours remaining, 207.226562 MB of memory in use. ENERGY: 3923000 720.8357 2134.2098 1922.0861 123.0498 -206419.3140 17931.5819 0.0000 0.0000 34038.2083 -149549.3424 297.2641 -183587.5507 -149460.9877 298.3189 20.5097 52.6746 557176.4241 -12.5464 -12.5811 PRESSURE: 3923200 -82.2497 -38.9356 -20.0052 -38.9348 -190.213 12.5081 -20.0043 12.5079 60.3619 GPRESSURE: 3923200 -11.6293 -59.1515 -65.7151 -68.1316 -201.181 1.00815 -27.9573 20.7756 101.791 PRESSAVG: 3923200 28.0981 0.256215 -23.8822 0.256198 -18.5751 -12.1847 -23.8821 -12.1847 42.396 GPRESSAVG: 3923200 27.4562 -3.28802 -24.5511 1.38515 -17.7177 -11.5039 -25.3273 -14.415 42.49 TIMING: 3923200 CPU: 11762.1, 0.00306074/step Wall: 11762.1, 0.00306074/step, 0.915501 hours remaining, 207.226562 MB of memory in use. ENERGY: 3923200 731.3149 2084.5847 1950.7195 114.7242 -206160.0395 17746.2925 0.0000 0.0000 34024.0440 -149508.3597 297.1404 -183532.4036 -149410.6151 298.5231 -70.7001 -37.0065 556760.6974 17.3063 17.4095 PRESSURE: 3923400 -122.754 76.2017 105.195 76.2008 -362.929 -90.1598 105.195 -90.16 -12.4799 GPRESSURE: 3923400 -64.922 73.4126 85.5139 99.6863 -325.996 -125.203 74.0258 -58.2795 -9.13765 PRESSAVG: 3923400 16.1211 -31.9455 -1.16014 -31.9454 -55.229 -46.9393 -1.16011 -46.9394 51.3782 GPRESSAVG: 3923400 17.7242 -28.6607 1.65939 -32.7072 -56.8429 -46.2613 0.743526 -47.3279 52.0021 TIMING: 3923400 CPU: 11762.7, 0.00302889/step Wall: 11762.7, 0.00302889/step, 0.905808 hours remaining, 207.226562 MB of memory in use. ENERGY: 3923400 754.6842 2094.5970 1939.7926 99.6128 -206438.0099 17684.7194 0.0000 0.0000 34352.7037 -149511.9003 300.0107 -183864.6039 -149416.3743 298.9131 -166.0541 -133.3521 556875.0412 4.0901 4.2945 PRESSURE: 3923600 55.8539 -67.517 -105.453 -67.5177 27.752 -46.0404 -105.454 -46.0406 138.572 GPRESSURE: 3923600 112.237 -126.124 -156.615 -47.5397 85.2457 4.9234 -81.2589 -6.29499 125.316 PRESSAVG: 3923600 5.09872 -53.284 10.6294 -53.2841 -20.7506 -14.9862 10.6294 -14.9861 -16.9806 GPRESSAVG: 3923600 4.59154 -53.0875 10.8118 -54.4538 -19.7857 -14.9505 6.57467 -13.7677 -16.8665 TIMING: 3923600 CPU: 11763.3, 0.00302837/step Wall: 11763.3, 0.00302837/step, 0.905482 hours remaining, 207.226562 MB of memory in use. ENERGY: 3923600 737.4625 2079.5401 1954.5870 112.7159 -206709.8741 18006.3239 0.0000 0.0000 34382.1145 -149437.1302 300.2676 -183819.2447 -149348.4242 298.7998 74.0594 107.5994 557495.6996 -10.8775 -10.6869 PRESSURE: 3923800 62.2741 176.108 -36.2626 176.107 -78.8737 194.601 -36.2628 194.601 -62.9087 GPRESSURE: 3923800 101.2 195.602 -25.8369 223.466 -33.9566 168.025 -108.687 161.329 -51.8083 PRESSAVG: 3923800 26.7588 1.1886 -51.7072 1.18862 -46.3645 34.5485 -51.7072 34.5485 21.5347 GPRESSAVG: 3923800 27.0484 -0.136899 -52.717 2.90696 -46.491 33.7501 -49.6519 34.0266 21.9902 TIMING: 3923800 CPU: 11763.9, 0.00304767/step Wall: 11763.9, 0.00304767/step, 0.911085 hours remaining, 207.226562 MB of memory in use. ENERGY: 3923800 755.8637 2136.3558 1945.1356 122.5976 -206327.8947 17713.0551 0.0000 0.0000 34289.8077 -149365.0791 299.4614 -183654.8868 -149268.4223 298.8911 -26.5028 5.1450 556475.1388 0.6430 0.8492 PRESSURE: 3924000 54.4817 187.771 -79.6096 187.77 -107.728 105.467 -79.6096 105.467 -82.3509 GPRESSURE: 3924000 109.289 105.027 -118.574 123.337 -122.864 97.8086 -43.8122 105.031 -32.0876 PRESSAVG: 3924000 39.3422 43.2323 3.71479 43.2323 -24.1794 51.3432 3.7148 51.3433 -19.847 GPRESSAVG: 3924000 38.3858 45.1553 4.34022 41.7442 -23.1694 50.0882 4.65163 52.3492 -19.6488 TIMING: 3924000 CPU: 11764.6, 0.00305643/step Wall: 11764.6, 0.00305643/step, 0.913533 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: 3924000 741.3860 2118.1049 1965.6314 124.1909 -206660.5258 17878.6727 0.0000 0.0000 34620.7801 -149211.7598 302.3519 -183832.5399 -149107.4943 299.3231 -45.1992 -15.2209 557914.5290 -1.5614 -1.4775 PRESSURE: 3924200 -102.728 93.7706 49.1441 93.7711 -167.15 184.257 49.1445 184.258 -143.139 GPRESSURE: 3924200 -102.146 124.169 -7.7626 137.56 -88.468 162.652 43.6909 171.676 -133.899 PRESSAVG: 3924200 -10.4296 7.15893 -1.47721 7.15886 -40.4067 8.33587 -1.47718 8.33595 52.5921 GPRESSAVG: 3924200 -9.97257 6.46563 -2.80479 8.01021 -41.3209 9.15527 -1.43609 7.42069 52.7393 TIMING: 3924200 CPU: 11765.2, 0.00304071/step Wall: 11765.2, 0.00304071/step, 0.908666 hours remaining, 207.226562 MB of memory in use. ENERGY: 3924200 743.0222 2043.3181 1959.1956 112.7794 -205950.9349 17738.9587 0.0000 0.0000 34246.5945 -149107.0664 299.0840 -183353.6610 -149015.3263 299.7258 -137.6720 -108.1711 559730.7113 0.5853 0.4819 LDB: ============= START OF LOAD BALANCING ============== 11768.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11768.6 LDB: =============== DONE WITH MIGRATION ================ 11768.6 LDB: ============= START OF LOAD BALANCING ============== 11768.9 LDB: Largest compute 4820 load 0.025910 is 21.9% of average load 0.118180 LDB: Average compute 0.001731 is 1.5% of average load 0.118180 LDB: TIME 11768.9 LOAD: AVG 0.11818 MAX 0.221733 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.23 MB LDB: TIME 11768.9 LOAD: AVG 0.11818 MAX 0.221733 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: TIME 11768.9 LOAD: AVG 0.11818 MAX 0.221733 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.23 MB LDB: ============== END OF LOAD BALANCING =============== 11768.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11768.9 PRESSURE: 3924400 51.6896 35.1692 94.6663 35.1698 -229.141 73.2093 94.6647 73.2107 -141.386 GPRESSURE: 3924400 126.151 -56.8515 121.212 72.7593 -234.785 60.3354 61.0352 174.96 -110.437 PRESSAVG: 3924400 33.0499 6.65244 67.0692 6.65234 -8.61154 24.504 67.0692 24.5039 2.28577 GPRESSAVG: 3924400 33.708 4.99206 67.6711 6.61595 -9.26287 23.3366 67.1565 25.8185 2.49344 TIMING: 3924400 CPU: 11765.8, 0.00311713/step Wall: 11765.8, 0.00311713/step, 0.93133 hours remaining, 206.253906 MB of memory in use. ENERGY: 3924400 731.2273 2060.8051 1960.7844 108.3217 -205867.4554 17559.3011 0.0000 0.0000 34331.2539 -149115.7619 299.8234 -183447.0158 -149016.7522 299.3988 -106.2793 -73.0236 558624.6530 8.9080 8.9795 PRESSURE: 3924600 -292.473 1.90263 -101.964 1.90297 45.0422 22.1865 -101.964 22.1873 -274.898 GPRESSURE: 3924600 -296.336 50.3746 -124.535 20.6163 77.1591 48.2103 -114.023 -32.5302 -220.661 PRESSAVG: 3924600 -52.5628 -60.7571 -28.7603 -60.757 47.6897 -10.3738 -28.7603 -10.3738 35.1952 GPRESSAVG: 3924600 -52.577 -59.9471 -28.0152 -60.3856 48.1763 -8.37466 -29.562 -11.1633 33.6468 TIMING: 3924600 CPU: 11766.4, 0.00305028/step Wall: 11766.4, 0.00305028/step, 0.911186 hours remaining, 206.453125 MB of memory in use. ENERGY: 3924600 737.3631 2111.4487 1945.9735 124.7201 -205637.7160 17512.1446 0.0000 0.0000 34221.3111 -148984.7548 298.8632 -183206.0659 -148887.5803 299.1480 -174.1097 -146.6128 558989.6829 10.1074 9.7487 PRESSURE: 3924800 -123.942 13.7642 149.974 13.7655 -139.23 -20.7563 149.974 -20.7574 -326.954 GPRESSURE: 3924800 -80.9758 48.4088 45.5643 -62.7487 -130.539 -3.86673 272.422 -19.1483 -277.17 PRESSAVG: 3924800 -16.2287 -16.5581 -2.00507 -16.5581 46.6202 -1.88035 -2.00509 -1.88044 10.7315 GPRESSAVG: 3924800 -17.8738 -17.2238 -5.37387 -16.7466 46.9213 -3.00622 -1.56896 -1.70514 12.1513 TIMING: 3924800 CPU: 11767, 0.00306681/step Wall: 11767, 0.00306681/step, 0.915955 hours remaining, 206.453125 MB of memory in use. ENERGY: 3924800 767.7266 2125.9009 1937.1732 100.5720 -205627.5462 17480.4841 0.0000 0.0000 34062.9012 -149152.7883 297.4798 -183215.6895 -149056.0240 299.8847 -196.7087 -162.8950 557785.4669 13.7076 13.7329 PRESSURE: 3925000 -86.0901 -43.7459 65.6545 -43.7456 -191.442 71.4788 65.6551 71.4788 -27.889 GPRESSURE: 3925000 -43.1407 -4.25152 -6.23731 -177.604 -176.971 1.23668 117.696 35.7357 -0.148361 PRESSAVG: 3925000 -20.3021 30.0734 9.37122 30.0733 72.8595 30.7426 9.37135 30.7425 -18.4327 GPRESSAVG: 3925000 -19.0597 30.4479 12.5375 31.0316 73.1588 31.2589 7.14978 29.2172 -19.602 TIMING: 3925000 CPU: 11767.6, 0.00305729/step Wall: 11767.6, 0.00305729/step, 0.912941 hours remaining, 206.453125 MB of memory in use. ENERGY: 3925000 710.2864 2155.8251 1937.4460 106.3775 -205830.7284 17462.5219 0.0000 0.0000 34105.2433 -149353.0282 297.8496 -183458.2715 -149252.3949 298.9226 -101.8070 -73.4200 556988.4240 11.3749 11.4990 PRESSURE: 3925200 -241.407 -152.717 -8.57652 -152.716 -188.005 -14.4785 -8.57615 -14.4776 246.983 GPRESSURE: 3925200 -167.841 -141.774 -51.583 -113.635 -150.84 -2.56246 -29.8348 -25.5561 229.455 PRESSAVG: 3925200 -1.24857 -42.006 46.0161 -42.0061 -7.93296 49.1691 46.0162 49.1691 8.29256 GPRESSAVG: 3925200 -1.11128 -43.5854 45.0511 -39.18 -7.72708 48.8693 48.1641 49.8655 7.69049 TIMING: 3925200 CPU: 11768.2, 0.00304784/step Wall: 11768.2, 0.00304784/step, 0.909949 hours remaining, 206.453125 MB of memory in use. ENERGY: 3925200 756.9431 2154.5029 1976.1698 110.3479 -206159.7794 17634.3129 0.0000 0.0000 34270.7044 -149256.7986 299.2946 -183527.5029 -149168.7174 299.0412 -60.8095 -29.7421 556699.0607 -0.2963 -0.3826 PRESSURE: 3925400 -152.866 -18.5834 87.65 -18.5825 -28.6028 16.3968 87.6492 16.3965 39.3685 GPRESSURE: 3925400 -92.5098 -57.7294 30.0864 -74.2606 -45.3024 161.01 112.545 -32.6803 86.4497 PRESSAVG: 3925400 5.66933 -4.83957 -17.1936 -4.83956 -9.57661 68.9785 -17.1936 68.9785 0.404658 GPRESSAVG: 3925400 4.09364 -4.92298 -15.4375 -7.98273 -9.07035 70.7435 -16.5963 66.5147 1.55292 TIMING: 3925400 CPU: 11768.8, 0.00304509/step Wall: 11768.8, 0.00304509/step, 0.908959 hours remaining, 206.453125 MB of memory in use. ENERGY: 3925400 754.6374 2110.3798 1949.3765 107.9913 -206355.2221 17745.2205 0.0000 0.0000 34454.7733 -149232.8434 300.9021 -183687.6167 -149130.0545 299.1522 -47.3666 -17.1209 557463.3817 -1.1675 -1.1413 PRESSURE: 3925600 -175.09 119.283 112.331 119.282 40.2204 -67.9451 112.33 -67.945 -13.0123 GPRESSURE: 3925600 -168.038 149.228 51.5825 92.3357 81.2179 -6.37129 161.395 -114.883 29.9002 PRESSAVG: 3925600 -39.0295 18.5666 -16.0798 18.5666 7.30762 17.0868 -16.0798 17.0867 24.1988 GPRESSAVG: 3925600 -38.3276 19.181 -16.0791 18.5637 5.86853 18.8175 -17.4383 19.3146 24.205 TIMING: 3925600 CPU: 11769.4, 0.00304171/step Wall: 11769.4, 0.00304171/step, 0.90778 hours remaining, 206.453125 MB of memory in use. ENERGY: 3925600 772.1760 2116.9043 1892.4126 116.0776 -205919.8685 17640.3231 0.0000 0.0000 34272.7169 -149109.2580 299.3122 -183381.9749 -149023.4135 299.9218 -49.2939 -18.9733 556972.6498 -2.5077 -2.7514 PRESSURE: 3925800 52.2456 23.1193 -36.9964 23.119 -77.4545 14.2461 -36.9959 14.2446 109.988 GPRESSURE: 3925800 132.924 62.7333 30.0172 83.5498 -10.2815 -9.68331 -37.0726 62.2197 61.255 PRESSAVG: 3925800 -4.55605 -20.2075 70.4141 -20.2074 0.857795 55.9569 70.4141 55.957 -1.61009 GPRESSAVG: 3925800 -4.74179 -19.6568 69.2013 -17.9469 1.44847 53.6558 69.1734 54.3951 -1.7125 TIMING: 3925800 CPU: 11770, 0.0030191/step Wall: 11770, 0.0030191/step, 0.900865 hours remaining, 206.453125 MB of memory in use. ENERGY: 3925800 761.8625 2099.7377 1964.8001 119.7752 -206400.7354 17937.8551 0.0000 0.0000 34455.3093 -149061.3954 300.9068 -183516.7047 -148966.0145 299.8786 28.2596 61.2990 555911.6983 -1.7694 -1.6686 PRESSURE: 3926000 76.8426 51.7929 102.394 51.7942 57.0642 163.045 102.394 163.044 215.472 GPRESSURE: 3926000 139.261 -31.0612 227.34 185.412 79.166 271.226 -18.5652 177.94 220.765 PRESSAVG: 3926000 -16.6378 16.9304 -35.3947 16.9304 -43.3851 19.2926 -35.3947 19.2925 44.089 GPRESSAVG: 3926000 -16.1986 17.9541 -35.3698 14.9805 -43.2924 18.7083 -34.9853 20.4395 44.1992 TIMING: 3926000 CPU: 11770.7, 0.0030346/step Wall: 11770.7, 0.0030346/step, 0.905324 hours remaining, 206.453125 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: 3926000 699.2821 2146.9514 1937.0474 106.1922 -206103.9289 17851.2130 0.0000 0.0000 34344.5218 -149018.7210 299.9393 -183363.2429 -148923.7442 300.4763 116.4596 146.3974 556972.9280 -5.3113 -5.0973 PRESSURE: 3926200 135.552 -31.6899 -5.90396 -31.689 75.7971 2.07922 -5.90424 2.07839 -53.7529 GPRESSURE: 3926200 198.145 76.9546 30.1298 -6.43289 88.7958 -7.50441 -68.8979 37.0694 -38.8016 PRESSAVG: 3926200 -63.2045 33.7152 -14.9492 33.7153 68.3543 -23.6722 -14.9492 -23.6723 29.5324 GPRESSAVG: 3926200 -63.571 34.6962 -14.3659 33.3443 67.5978 -22.5587 -14.3756 -23.3188 30.0154 TIMING: 3926200 CPU: 11771.3, 0.00303261/step Wall: 11771.3, 0.00303261/step, 0.90456 hours remaining, 206.453125 MB of memory in use. ENERGY: 3926200 743.5140 2046.9638 1926.2590 111.8615 -206377.2935 17963.1290 0.0000 0.0000 34454.8711 -149130.6951 300.9030 -183585.5663 -149023.1569 300.1650 52.5322 82.7130 557275.3572 11.5607 11.3474 PRESSURE: 3926400 340.324 75.2547 130.808 75.2561 64.1578 26.8088 130.809 26.8083 195.756 GPRESSURE: 3926400 380.874 43.3152 122.883 90.72 85.7892 85.7968 147.96 52.3762 229.187 PRESSAVG: 3926400 83.8778 -58.068 33.6256 -58.068 -0.230726 -2.63143 33.6256 -2.63133 -35.3898 GPRESSAVG: 3926400 83.2778 -59.289 34.0202 -56.4575 1.54828 -3.54315 33.601 -2.65228 -36.6458 TIMING: 3926400 CPU: 11771.9, 0.00305681/step Wall: 11771.9, 0.00305681/step, 0.911607 hours remaining, 206.453125 MB of memory in use. ENERGY: 3926400 816.3434 2098.5169 1936.2886 113.3901 -206512.9082 18060.3933 0.0000 0.0000 34218.2226 -149269.7532 298.8362 -183487.9758 -149177.0153 299.7885 200.0792 231.9502 557014.3423 16.0857 16.0601 PRESSURE: 3926600 174.17 39.9545 -203.685 39.9534 -13.2414 -114.731 -203.685 -114.731 -135.518 GPRESSURE: 3926600 196.755 -48.1246 -110.195 45.1864 -3.266 -19.7606 -273.386 -156.935 -77.3119 PRESSAVG: 3926600 87.5244 41.3189 -3.16321 41.319 -83.0251 21.6088 -3.16325 21.6089 10.1981 GPRESSAVG: 3926600 87.7339 41.096 -3.21019 41.3768 -83.0098 19.8584 -4.40379 22.9283 10.4551 TIMING: 3926600 CPU: 11772.5, 0.00303608/step Wall: 11772.5, 0.00303608/step, 0.905258 hours remaining, 206.453125 MB of memory in use. ENERGY: 3926600 749.5111 2109.8986 1947.4741 113.1909 -205976.0484 17706.4946 0.0000 0.0000 34180.5899 -149168.8893 298.5076 -183349.4792 -149070.6930 299.8103 8.4703 38.7258 557608.2799 4.8991 5.0597 PRESSURE: 3926800 81.9789 -154.098 -43.1841 -154.099 -73.2615 -188.073 -43.1847 -188.072 45.2934 GPRESSURE: 3926800 162.456 -187.129 -141.303 -19.2999 -95.1534 -219.007 -79.7913 -172.683 82.4957 PRESSAVG: 3926800 28.7433 -30.2087 -8.76239 -30.2087 7.91424 -14.9048 -8.76232 -14.9048 -19.2561 GPRESSAVG: 3926800 28.3057 -31.7109 -8.47519 -30.5863 7.3485 -13.8967 -7.48818 -16.4818 -18.4594 TIMING: 3926800 CPU: 11773.1, 0.00303775/step Wall: 11773.1, 0.00303775/step, 0.905588 hours remaining, 206.453125 MB of memory in use. ENERGY: 3926800 719.5950 2073.1639 1923.5850 111.8763 -205804.2978 17677.5113 0.0000 0.0000 34177.2313 -149121.3349 298.4783 -183298.5662 -149022.7039 299.4649 18.0036 49.9328 556654.8076 5.8005 5.7316 PRESSURE: 3927000 50.3693 -148.851 0.795499 -148.85 -96.9186 -147.37 0.795993 -147.369 -85.258 GPRESSURE: 3927000 74.5972 -62.834 14.867 -173.193 -71.8854 -201.526 -18.8252 -118.047 -38.6252 PRESSAVG: 3927000 71.3197 -14.8709 14.6539 -14.871 17.6079 -9.88351 14.6539 -9.88348 -58.8741 GPRESSAVG: 3927000 70.9415 -11.6199 14.4911 -15.8575 19.1826 -7.95461 15.6563 -9.76039 -60.0155 TIMING: 3927000 CPU: 11773.7, 0.00304476/step Wall: 11773.7, 0.00304476/step, 0.907508 hours remaining, 206.453125 MB of memory in use. ENERGY: 3927000 727.2140 2026.2419 1943.1815 116.4799 -206155.5977 17806.7632 0.0000 0.0000 34244.7388 -149290.9784 299.0678 -183535.7172 -149204.8568 299.0397 -43.9358 -11.9711 557149.7967 10.0178 10.0362 PRESSURE: 3927200 189.048 -214.196 -41.1053 -214.196 -418.335 153.941 -41.1045 153.942 -378.104 GPRESSURE: 3927200 199.083 -204.61 35.7556 -187.162 -408.696 173.885 -54.3083 123.557 -310.52 PRESSAVG: 3927200 79.0242 -48.1461 4.46618 -48.1462 -62.7312 -52.1082 4.46613 -52.1083 -28.2331 GPRESSAVG: 3927200 79.5609 -51.5692 4.37592 -46.2927 -64.1042 -55.0891 5.30667 -51.1701 -27.5056 TIMING: 3927200 CPU: 11774.3, 0.00302269/step Wall: 11774.3, 0.00302269/step, 0.900763 hours remaining, 206.453125 MB of memory in use. ENERGY: 3927200 732.1972 2051.4003 1956.9155 107.5605 -205648.3108 17401.5654 0.0000 0.0000 34179.1933 -149219.4785 298.4954 -183398.6717 -149126.5040 298.3089 -202.4635 -173.3776 557183.3466 -3.9800 -4.0163 PRESSURE: 3927400 56.2146 -64.2879 66.4067 -64.2885 -107.123 -11.3959 66.4077 -11.3954 1.70681 GPRESSURE: 3927400 124.186 -40.4386 -8.2231 -13.796 -117.247 -94.5426 58.9347 27.0403 48.9532 PRESSAVG: 3927400 18.01 -8.7862 -27.8215 -8.78621 22.8403 20.9948 -27.8214 20.9949 -45.2983 GPRESSAVG: 3927400 18.8358 -9.01143 -28.2723 -9.84798 22.1887 23.5366 -30.6286 18.8071 -45.1746 TIMING: 3927400 CPU: 11774.9, 0.00303962/step Wall: 11774.9, 0.00303962/step, 0.905639 hours remaining, 206.453125 MB of memory in use. ENERGY: 3927400 778.6199 2101.3153 1943.8743 112.2484 -206069.4357 17791.1480 0.0000 0.0000 34166.8478 -149175.3819 298.3876 -183342.2297 -149071.8638 299.2991 -16.4007 18.6309 558360.5784 -1.4827 -1.3834 PRESSURE: 3927600 147.086 -2.80665 -109.978 -2.80697 -1.49664 29.2156 -109.979 29.2156 -181.588 GPRESSURE: 3927600 128.991 -12.0745 -71.2482 -30.9816 74.1491 10.6531 -139.105 -11.1898 -129.488 PRESSAVG: 3927600 1.5813 -31.7507 -17.5171 -31.7508 37.8062 -0.000375291 -17.5171 -0.000345556 -71.4858 GPRESSAVG: 3927600 1.4909 -28.8115 -17.3576 -33.1974 38.2998 -1.3963 -16.2607 1.33773 -71.7026 TIMING: 3927600 CPU: 11775.5, 0.00306144/step Wall: 11775.5, 0.00306144/step, 0.911968 hours remaining, 206.453125 MB of memory in use. ENERGY: 3927600 782.4321 2068.2466 1943.7139 118.0498 -206231.2747 17838.4287 0.0000 0.0000 34220.3219 -149260.0818 298.8546 -183480.4037 -149171.4805 299.1646 -11.9998 24.5506 558203.8005 -10.6995 -10.6373 PRESSURE: 3927800 33.7639 -36.4716 58.0568 -36.4715 -3.64972 3.52562 58.0559 3.52631 210.964 GPRESSURE: 3927800 54.8578 24.9721 111.395 -30.4962 2.96891 -1.99661 -21.1408 -17.0579 271.713 PRESSAVG: 3927800 -7.60966 -63.815 -21.7685 -63.8149 10.1939 -28.8308 -21.7686 -28.8307 17.6358 GPRESSAVG: 3927800 -8.21259 -63.8895 -24.0875 -64.8821 10.9559 -29.6772 -21.1755 -29.0737 17.1287 TIMING: 3927800 CPU: 11776.1, 0.0030541/step Wall: 11776.1, 0.0030541/step, 0.909614 hours remaining, 206.453125 MB of memory in use. ENERGY: 3927800 739.3143 2128.7219 1932.1990 110.5423 -206684.5470 18074.2236 0.0000 0.0000 34616.0499 -149083.4961 302.3106 -183699.5459 -148989.7886 299.9414 80.3593 109.8467 558047.5348 6.7400 6.6240 PRESSURE: 3928000 171.601 -142.331 5.31041 -142.329 -5.32758 -150.244 5.31061 -150.243 25.4593 GPRESSURE: 3928000 186.443 -150.849 -8.85073 -189.045 7.50438 -177.823 41.4499 -114.083 96.1899 PRESSAVG: 3928000 2.59882 -53.1727 -1.79766 -53.1727 -30.9415 -8.26562 -1.79778 -8.26562 30.3928 GPRESSAVG: 3928000 2.45552 -52.8289 -0.563269 -52.6408 -30.963 -7.98832 -3.04577 -7.38533 30.5039 TIMING: 3928000 CPU: 11776.7, 0.00302495/step Wall: 11776.7, 0.00302495/step, 0.900763 hours remaining, 206.453125 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: 3928000 730.8970 2117.4606 1937.1329 115.8057 -205990.9285 17810.5447 0.0000 0.0000 34142.2441 -149136.8434 298.1727 -183279.0876 -149039.8191 299.5497 63.9107 96.7126 557480.0656 0.6834 0.6655 PRESSURE: 3928200 52.0615 -36.357 -11.5817 -36.3572 -93.8888 119.465 -11.5821 119.465 -126.267 GPRESSURE: 3928200 58.5634 -52.5512 -37.7672 -31.5471 -72.9922 159.887 32.9103 14.5509 -56.8683 PRESSAVG: 3928200 47.5988 -12.0171 14.0638 -12.017 -0.621711 -9.97253 14.0638 -9.97242 -28.8388 GPRESSAVG: 3928200 47.1707 -14.4425 14.1211 -12.0781 -0.859736 -11.1014 15.3014 -11.0884 -28.2258 TIMING: 3928200 CPU: 11777.3, 0.00304266/step Wall: 11777.3, 0.00304266/step, 0.905867 hours remaining, 206.453125 MB of memory in use. ENERGY: 3928200 674.8315 2071.6995 1963.5314 107.9296 -205734.7907 17449.9683 0.0000 0.0000 34356.1832 -149110.6471 300.0411 -183466.8303 -149019.0965 299.6514 -56.0315 -23.7657 557407.8265 6.0461 6.0284 LDB: ============= START OF LOAD BALANCING ============== 11780.8 LDB: ============== END OF LOAD BALANCING =============== 11780.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11780.8 LDB: ============= START OF LOAD BALANCING ============== 11781.1 LDB: Largest compute 4820 load 0.024267 is 20.6% of average load 0.118078 LDB: Average compute 0.001727 is 1.5% of average load 0.118078 LDB: TIME 11781.1 LOAD: AVG 0.118078 MAX 0.219295 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.676 MB LDB: TIME 11781.1 LOAD: AVG 0.118078 MAX 0.219295 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.676 MB LDB: TIME 11781.1 LOAD: AVG 0.118078 MAX 0.219295 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.676 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11781.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11781.1 PRESSURE: 3928400 91.6527 108.945 14.6749 108.945 -171.511 -45.9268 14.6758 -45.9255 27.153 GPRESSURE: 3928400 97.6303 148.49 -45.6706 73.0869 -100.616 -40.1808 95.6655 -34.137 47.6326 PRESSAVG: 3928400 8.67961 6.44521 -26.0864 6.44512 58.3104 -32.2049 -26.0864 -32.2049 -29.9033 GPRESSAVG: 3928400 8.45094 5.6555 -25.6137 8.54831 58.3566 -30.9236 -25.3488 -32.5482 -29.431 TIMING: 3928400 CPU: 11778, 0.00314463/step Wall: 11778, 0.00314463/step, 0.936053 hours remaining, 206.707031 MB of memory in use. ENERGY: 3928400 704.8535 2091.5269 1952.4661 93.4206 -206100.0239 17583.5128 0.0000 0.0000 34225.9831 -149448.2608 298.9040 -183674.2440 -149357.9230 299.2790 -17.5683 14.8822 555399.8782 12.3622 12.4588 PRESSURE: 3928600 180.867 64.4468 85.6278 64.4466 -50.3716 -44.6087 85.6275 -44.6071 26.0104 GPRESSURE: 3928600 186.516 119.633 90.4446 26.0369 -9.16732 -115.104 34.9057 -54.1941 63.1339 PRESSAVG: 3928600 -86.6292 44.7524 13.1041 44.7524 63.9632 -25.4671 13.1041 -25.467 -51.8482 GPRESSAVG: 3928600 -84.914 47.3509 12.7119 42.6404 63.0108 -24.9706 12.7406 -25.9034 -52.9469 TIMING: 3928600 CPU: 11778.6, 0.00307265/step Wall: 11778.6, 0.00307265/step, 0.914454 hours remaining, 206.964844 MB of memory in use. ENERGY: 3928600 719.7861 2079.1512 1932.2686 102.1551 -206133.8543 17814.9672 0.0000 0.0000 34147.3731 -149338.1530 298.2175 -183485.5261 -149241.3715 299.0015 52.1687 80.1608 557072.0981 -24.8381 -24.9500 PRESSURE: 3928800 -44.087 107.137 35.9813 107.136 295.983 260.827 35.9834 260.827 -153.119 GPRESSURE: 3928800 -7.44749 108.728 112.797 77.8083 309.51 246.439 -39.6911 286.774 -117.178 PRESSAVG: 3928800 53.4226 30.7774 -47.2171 30.7774 55.1299 -8.70058 -47.2171 -8.70053 -103.773 GPRESSAVG: 3928800 52.6855 30.4259 -46.9965 31.2354 55.8585 -9.53838 -46.9804 -9.55148 -104.065 TIMING: 3928800 CPU: 11779.2, 0.00308415/step Wall: 11779.2, 0.00308415/step, 0.917705 hours remaining, 206.964844 MB of memory in use. ENERGY: 3928800 713.6878 2038.1906 1901.7696 111.8464 -206156.5386 17775.7538 0.0000 0.0000 34373.2543 -149242.0359 300.1902 -183615.2903 -149145.0584 299.1375 32.9256 61.6282 556765.5849 1.5933 1.4931 PRESSURE: 3929000 18.3482 59.8992 -180.94 59.8997 -12.0142 -29.1069 -180.939 -29.1077 -246.471 GPRESSURE: 3929000 7.03796 56.6969 -157.057 61.1601 -28.1107 -91.7114 -247.771 -20.4352 -138.084 PRESSAVG: 3929000 0.87797 33.0463 -28.5223 33.0463 87.5408 15.6578 -28.5223 15.6578 -79.4195 GPRESSAVG: 3929000 0.481679 32.8221 -28.0058 32.6823 87.2916 14.4822 -29.2044 17.7915 -77.9914 TIMING: 3929000 CPU: 11779.8, 0.00305566/step Wall: 11779.8, 0.00305566/step, 0.909058 hours remaining, 206.964844 MB of memory in use. ENERGY: 3929000 725.2818 2071.2059 1925.1628 101.9778 -205699.4532 17421.8490 0.0000 0.0000 34190.7603 -149263.2157 298.5964 -183453.9759 -149168.3315 299.1568 -80.0457 -53.0521 555418.9774 2.9998 3.2606 PRESSURE: 3929200 -303.95 -38.3853 75.2973 -38.3845 -56.0458 141.27 75.2976 141.271 -304.551 GPRESSURE: 3929200 -225.835 -81.3561 93.422 36.444 -72.5259 154.166 25.6073 103.162 -265.441 PRESSAVG: 3929200 1.8326 4.8262 -44.8277 4.82625 54.0747 28.784 -44.8277 28.7839 -38.0716 GPRESSAVG: 3929200 2.57072 5.12741 -45.1858 4.83502 55.1762 28.6097 -42.7929 28.6669 -39.8253 TIMING: 3929200 CPU: 11780.4, 0.00306631/step Wall: 11780.4, 0.00306631/step, 0.912057 hours remaining, 206.964844 MB of memory in use. ENERGY: 3929200 731.0800 2032.6779 1936.4060 103.9647 -205735.9359 17450.9007 0.0000 0.0000 34153.3054 -149327.6013 298.2693 -183480.9066 -149228.4003 298.4968 -221.5156 -187.9339 557234.2130 5.9452 5.9739 PRESSURE: 3929400 5.64014 -6.87479 68.6683 -6.87471 354.403 95.6288 68.6687 95.6273 329.82 GPRESSURE: 3929400 42.7483 3.91986 84.6723 -4.63105 353.247 11.8621 65.9312 90.6891 384.97 PRESSAVG: 3929400 -70.6526 -37.1077 77.617 -37.1077 47.378 33.569 77.617 33.569 -13.7493 GPRESSAVG: 3929400 -70.6351 -36.0911 79.2052 -37.3516 46.3354 36.9435 76.4123 31.4104 -12.5714 TIMING: 3929400 CPU: 11781, 0.0030587/step Wall: 11781, 0.0030587/step, 0.909624 hours remaining, 206.964844 MB of memory in use. ENERGY: 3929400 718.1364 2051.9135 1927.8835 108.2691 -206976.0347 18300.3042 0.0000 0.0000 34634.1348 -149235.3932 302.4685 -183869.5280 -149142.9670 299.4100 229.9544 260.3215 556915.4159 -12.3413 -12.2904 PRESSURE: 3929600 -57.3855 7.97418 7.7031 7.97432 -94.1622 39.6403 7.70219 39.6404 -217.228 GPRESSURE: 3929600 -39.6775 3.86293 1.29904 11.9673 -34.5688 52.387 -11.7899 90.6524 -194.643 PRESSAVG: 3929600 -10.3219 -0.583056 49.8284 -0.582954 -4.15304 65.7043 49.8284 65.7042 28.6957 GPRESSAVG: 3929600 -10.6807 -1.79251 47.9152 -0.0200829 -3.90848 64.8419 48.2602 65.5395 28.8609 TIMING: 3929600 CPU: 11781.7, 0.00308676/step Wall: 11781.7, 0.00308676/step, 0.917798 hours remaining, 206.964844 MB of memory in use. ENERGY: 3929600 731.5268 2002.2409 1935.0125 111.3705 -206105.2422 17637.6889 0.0000 0.0000 34229.4608 -149457.9419 298.9344 -183687.4027 -149358.2815 299.0146 -122.9254 -89.6297 558796.8498 4.7403 4.7572 PRESSURE: 3929800 -123.246 14.921 179.865 14.9212 -304.471 -21.3616 179.865 -21.3602 101.402 GPRESSURE: 3929800 -100.806 21.9046 160.629 95.4489 -221.292 57.9352 180.843 8.81078 94.5831 PRESSAVG: 3929800 50.0434 -29.537 -6.23751 -29.5369 -32.1982 79.6516 -6.2375 79.6517 13.6307 GPRESSAVG: 3929800 50.4777 -27.1344 -6.21819 -28.2149 -33.347 80.143 -5.37648 80.8298 13.7054 TIMING: 3929800 CPU: 11782.3, 0.00309852/step Wall: 11782.3, 0.00309852/step, 0.921121 hours remaining, 206.964844 MB of memory in use. ENERGY: 3929800 721.5465 2062.7004 1950.8922 114.1592 -206103.2833 17651.1043 0.0000 0.0000 33961.9749 -149640.9058 296.5984 -183602.8807 -149539.1265 298.3024 -108.7716 -75.8385 557633.6393 10.4919 10.2787 PRESSURE: 3930000 -147.467 -78.4934 16.6578 -78.4929 280.327 87.184 16.658 87.1845 101.324 GPRESSURE: 3930000 -92.204 -60.4111 6.12278 -33.0985 288.484 13.0479 -23.1737 126.319 140.755 PRESSAVG: 3930000 50.9578 16.8882 82.6568 16.8882 -41.4706 18.43 82.6568 18.43 31.3228 GPRESSAVG: 3930000 50.7523 16.7365 83.4212 16.3242 -40.7348 18.7554 81.6019 17.433 30.877 TIMING: 3930000 CPU: 11782.9, 0.00305711/step Wall: 11782.9, 0.00305711/step, 0.90864 hours remaining, 206.964844 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: 3930000 745.0198 2068.1790 1953.8912 103.0571 -206407.4936 17922.5454 0.0000 0.0000 34231.4001 -149383.4010 298.9513 -183614.8011 -149280.7637 298.6190 78.0612 112.3450 555830.2906 13.6034 13.6315 PRESSURE: 3930200 -261.643 -103.976 25.6095 -103.975 -43.4749 -107.856 25.6085 -107.857 5.72876 GPRESSURE: 3930200 -208.213 -122.773 -21.8298 -152.972 -33.5333 -90.3448 42.7709 -156.262 17.8169 PRESSAVG: 3930200 13.1423 -32.7128 26.1955 -32.7127 -25.2534 -32.1311 26.1954 -32.131 2.0143 GPRESSAVG: 3930200 13.6678 -33.6633 25.4659 -33.087 -25.4341 -33.176 30.3963 -30.5846 1.33841 TIMING: 3930200 CPU: 11783.5, 0.00306154/step Wall: 11783.5, 0.00306154/step, 0.909787 hours remaining, 206.964844 MB of memory in use. ENERGY: 3930200 749.5774 2032.4128 1919.9825 121.3095 -206225.1229 17749.6632 0.0000 0.0000 34059.2530 -149592.9244 297.4479 -183652.1774 -149498.7809 297.8934 -99.7964 -74.6430 558292.4655 -3.3656 -3.4760 PRESSURE: 3930400 10.443 1.74341 167.725 1.7437 -87.9581 -133.497 167.726 -133.499 -120.294 GPRESSURE: 3930400 58.6961 85.3909 119.096 -33.4556 -36.4747 -204.142 112.317 -129.405 -115.614 PRESSAVG: 3930400 28.1706 -7.05708 52.7871 -7.05713 -19.6396 4.96778 52.7871 4.96786 27.57 GPRESSAVG: 3930400 28.1589 -7.14532 52.4112 -9.38374 -18.445 4.77594 48.8005 3.34004 27.1504 TIMING: 3930400 CPU: 11784.1, 0.00305299/step Wall: 11784.1, 0.00305299/step, 0.907077 hours remaining, 206.964844 MB of memory in use. ENERGY: 3930400 727.0178 2069.4501 1938.5903 120.7840 -206448.6794 17873.2000 0.0000 0.0000 34216.8470 -149502.7903 298.8242 -183719.6372 -149410.3445 298.5885 -65.9365 -31.1309 558329.5885 12.0337 12.2881 PRESSURE: 3930600 -20.9448 -4.04725 55.4083 -4.04743 71.1508 -4.4829 55.4083 -4.4821 -54.9919 GPRESSURE: 3930600 6.30553 56.1229 38.5437 -53.6394 96.8513 -42.764 78.5194 0.139573 -7.00271 PRESSAVG: 3930600 0.332285 10.7248 69.4761 10.7249 23.623 -39.7406 69.4762 -39.7406 10.0871 GPRESSAVG: 3930600 0.154763 8.74837 67.9564 14.6971 21.8707 -39.2768 72.6906 -38.6413 11.7926 TIMING: 3930600 CPU: 11784.7, 0.00306303/step Wall: 11784.7, 0.00306303/step, 0.909889 hours remaining, 206.964844 MB of memory in use. ENERGY: 3930600 730.6339 2078.4718 1946.2670 119.9943 -206140.3149 17777.0917 0.0000 0.0000 33931.8700 -149555.9862 296.3355 -183487.8562 -149459.3645 297.3536 -1.5953 32.0514 557818.1963 11.3475 11.2727 PRESSURE: 3930800 -123.991 -71.2472 -69.7832 -71.249 47.2257 5.19965 -69.7832 5.19998 -159.334 GPRESSURE: 3930800 -47.5366 -61.4676 -84.1867 -15.7773 64.9553 -71.467 -1.74152 9.53718 -151.12 PRESSAVG: 3930800 -57.2722 23.1424 95.5284 23.1425 83.33 46.1131 95.5285 46.1131 -3.1034 GPRESSAVG: 3930800 -57.1732 23.1568 96.9608 22.7644 84.2428 45.1022 95.2014 46.9319 -4.30575 TIMING: 3930800 CPU: 11785.3, 0.00306387/step Wall: 11785.3, 0.00306387/step, 0.909969 hours remaining, 206.964844 MB of memory in use. ENERGY: 3930800 761.6304 2105.6579 1918.5093 112.1589 -206122.3522 17778.5276 0.0000 0.0000 34000.3270 -149445.5411 296.9333 -183445.8681 -149347.3561 297.6852 -78.6996 -44.5670 557603.6753 7.6515 7.5880 PRESSURE: 3931000 -88.7944 -123.269 68.6471 -123.269 -118.57 2.01378 68.6462 2.01437 256.496 GPRESSURE: 3931000 -77.4977 -102.238 114.724 -135.384 -58.6979 79.9714 63.716 -36.2514 285.826 PRESSAVG: 3931000 -63.8952 -31.3368 56.1081 -31.3367 45.699 17.3282 56.1081 17.3282 3.63845 GPRESSAVG: 3931000 -66.066 -31.0413 57.4121 -32.1244 46.0522 17.7125 54.1337 16.206 4.82971 TIMING: 3931000 CPU: 11786, 0.003062/step Wall: 11786, 0.003062/step, 0.909244 hours remaining, 206.964844 MB of memory in use. ENERGY: 3931000 762.8329 2072.6422 1929.6176 110.3860 -206423.0025 17793.6770 0.0000 0.0000 34357.6984 -149396.1485 300.0543 -183753.8469 -149301.1784 297.7167 16.3772 49.8766 556891.0539 -4.8526 -5.0614 PRESSURE: 3931200 -346.492 -128.127 -93.1828 -128.127 -364.569 -44.4687 -93.1842 -44.4666 -217.589 GPRESSURE: 3931200 -318.319 -113.844 -162.049 -85.3533 -317.176 14.5457 -99.645 -79.6698 -214.513 PRESSAVG: 3931200 -39.6096 -15.0386 63.6254 -15.0386 18.4131 5.59541 63.6254 5.59537 19.797 GPRESSAVG: 3931200 -38.1185 -13.2461 63.6682 -15.2786 18.1659 6.25185 62.3705 6.31253 18.8915 TIMING: 3931200 CPU: 11786.6, 0.00309597/step Wall: 11786.6, 0.00309597/step, 0.919158 hours remaining, 206.964844 MB of memory in use. ENERGY: 3931200 711.4378 2017.7575 1947.4979 109.5173 -205828.1292 17342.5215 0.0000 0.0000 34245.0218 -149454.3755 299.0703 -183699.3972 -149352.4962 298.8386 -309.5500 -283.3358 559111.4568 -0.4665 -0.3537 PRESSURE: 3931400 -78.5807 -89.666 140.334 -89.6677 132.455 4.10978 140.335 4.1091 -265.034 GPRESSURE: 3931400 -69.8218 -37.4626 201.038 -90.7095 107.648 36.1134 92.5459 5.87359 -155.451 PRESSAVG: 3931400 -9.53021 -42.5851 -2.28025 -42.5851 -10.2828 -34.1326 -2.28012 -34.1325 -1.66291 GPRESSAVG: 3931400 -10.3932 -43.618 -3.39806 -42.5734 -10.2381 -34.8469 -1.34066 -35.4508 -1.02127 TIMING: 3931400 CPU: 11787.2, 0.00305746/step Wall: 11787.2, 0.00305746/step, 0.907556 hours remaining, 206.964844 MB of memory in use. ENERGY: 3931400 756.0533 2034.4392 1952.8416 125.1366 -206194.2583 17784.8869 0.0000 0.0000 34148.7290 -149392.1718 298.2293 -183540.9007 -149299.9143 297.6500 -70.3866 -39.2082 558898.2875 -7.1586 -7.2175 PRESSURE: 3931600 -60.1102 -74.5593 112.351 -74.5589 -254.145 198.534 112.35 198.533 255.321 GPRESSURE: 3931600 30.899 -117.425 156.532 -32.7635 -241.193 155.032 92.6102 258.991 258.656 PRESSAVG: 3931600 -26.9741 17.1112 -29.9157 17.1112 -9.4812 -9.01952 -29.9157 -9.01951 78.8896 GPRESSAVG: 3931600 -24.5164 15.6245 -31.7069 16.3878 -10.1057 -8.3048 -27.734 -8.71973 77.2708 TIMING: 3931600 CPU: 11787.8, 0.00306991/step Wall: 11787.8, 0.00306991/step, 0.911081 hours remaining, 206.964844 MB of memory in use. ENERGY: 3931600 752.4455 2058.1223 1940.3773 109.9384 -206630.1146 18012.0132 0.0000 0.0000 34178.8598 -149578.3581 298.4925 -183757.2179 -149488.4738 297.8176 -19.6448 16.1206 557536.3343 14.1448 14.2163 PRESSURE: 3931800 -193.252 -225.404 -14.3043 -225.405 -110.222 -0.866293 -14.3041 -0.86615 15.7188 GPRESSURE: 3931800 -172.343 -146.173 -48.3502 -245.892 -66.8838 -42.845 -23.753 -83.1234 61.006 PRESSAVG: 3931800 -1.94093 -69.1362 27.1526 -69.1362 6.86256 2.39918 27.1525 2.39914 -36.728 GPRESSAVG: 3931800 -3.93615 -66.5206 27.9201 -70.6331 6.32422 1.77101 27.9768 3.6328 -34.882 TIMING: 3931800 CPU: 11788.4, 0.0030306/step Wall: 11788.4, 0.0030306/step, 0.899248 hours remaining, 206.964844 MB of memory in use. ENERGY: 3931800 779.5863 2095.5553 1950.4782 120.5568 -206543.9954 17958.6904 0.0000 0.0000 33947.8226 -149691.3058 296.4748 -183639.1284 -149596.1673 298.4456 -95.9185 -59.4069 557326.9404 -10.6021 -10.8313 PRESSURE: 3932000 69.4162 254.554 142.239 254.555 -62.2837 37.3785 142.239 37.378 -371.397 GPRESSURE: 3932000 69.6638 208.897 95.5433 309.094 -44.7663 48.0056 107.407 17.1192 -290.413 PRESSAVG: 3932000 -3.39494 -4.2711 -34.4278 -4.27116 8.0751 -6.33227 -34.4277 -6.33234 -8.33436 GPRESSAVG: 3932000 -1.57727 -6.34911 -33.385 -4.34052 7.46444 -7.13293 -35.6493 -5.87781 -9.76183 TIMING: 3932000 CPU: 11789, 0.00304117/step Wall: 11789, 0.00304117/step, 0.902214 hours remaining, 206.964844 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: 3932000 757.3761 2080.3090 1965.7718 128.5175 -206529.7692 17751.4967 0.0000 0.0000 34240.8143 -149605.4838 299.0335 -183846.2981 -149503.4932 297.4352 -121.4214 -88.5052 558074.5634 -1.2181 -1.2916 PRESSURE: 3932200 300.933 85.1404 2.71756 85.1416 210.463 -42.7657 2.71772 -42.766 25.6417 GPRESSURE: 3932200 343.452 191.804 76.3047 76.0685 179.008 18.4482 -87.3227 -68.9438 107.816 PRESSAVG: 3932200 49.4395 -9.21313 0.619628 -9.2132 -73.1127 57.2962 0.619706 57.2963 21.0841 GPRESSAVG: 3932200 49.5722 -9.7536 2.08944 -7.35523 -73.0274 58.8241 -0.191036 56.5332 21.5658 TIMING: 3932200 CPU: 11789.6, 0.00303575/step Wall: 11789.6, 0.00303575/step, 0.900439 hours remaining, 206.964844 MB of memory in use. ENERGY: 3932200 714.6138 2156.4807 1925.0571 111.7928 -206734.6910 18119.0025 0.0000 0.0000 34137.3729 -149570.3713 298.1302 -183707.7441 -149477.6733 298.1333 179.0126 210.0922 557820.4388 -0.8631 -0.6298 LDB: ============= START OF LOAD BALANCING ============== 11793.1 LDB: ============== END OF LOAD BALANCING =============== 11793.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11793.1 LDB: ============= START OF LOAD BALANCING ============== 11793.4 LDB: Largest compute 4820 load 0.024797 is 21.0% of average load 0.118093 LDB: Average compute 0.001736 is 1.5% of average load 0.118093 LDB: TIME 11793.4 LOAD: AVG 0.118093 MAX 0.217925 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.293 MB LDB: TIME 11793.4 LOAD: AVG 0.118093 MAX 0.217925 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.293 MB LDB: TIME 11793.4 LOAD: AVG 0.118093 MAX 0.217925 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.293 MB LDB: ============== END OF LOAD BALANCING =============== 11793.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11793.4 PRESSURE: 3932400 -9.98833 315.523 -187.237 315.524 -106.723 47.3676 -187.238 47.3655 129.689 GPRESSURE: 3932400 -7.68164 337.936 -236.958 335.307 -48.2647 6.17531 -188.242 74.6618 168.71 PRESSAVG: 3932400 -1.60826 26.574 -33.2107 26.574 26.3448 26.1384 -33.2106 26.1384 -7.2992 GPRESSAVG: 3932400 -2.74161 25.8477 -35.1617 25.5977 27.2592 25.0064 -34.7498 25.517 -7.61628 TIMING: 3932400 CPU: 11790.2, 0.0031315/step Wall: 11790.2, 0.0031315/step, 0.928663 hours remaining, 206.574219 MB of memory in use. ENERGY: 3932400 737.6246 2077.7240 1941.5608 107.7505 -206476.9533 17827.9651 0.0000 0.0000 34199.5903 -149584.7380 298.6735 -183784.3284 -149486.2446 298.3392 4.3260 37.5879 557179.6375 5.8124 5.6338 PRESSURE: 3932600 -11.7063 3.87641 -122.311 3.87657 -31.2264 -29.8926 -122.311 -29.8934 247.394 GPRESSURE: 3932600 56.612 -17.5164 -142.225 11.5255 17.5219 49.273 -29.2149 -38.5264 238.784 PRESSAVG: 3932600 -74.7701 7.45294 -34.4361 7.45295 50.5579 -21.4125 -34.4361 -21.4123 24.6168 GPRESSAVG: 3932600 -74.4436 7.38966 -34.8985 8.79548 49.9923 -20.2481 -31.153 -21.4636 24.8123 TIMING: 3932600 CPU: 11790.9, 0.00307692/step Wall: 11790.9, 0.00307692/step, 0.912307 hours remaining, 206.777344 MB of memory in use. ENERGY: 3932600 744.7681 2108.6490 1947.0915 104.7123 -206779.2637 18038.7502 0.0000 0.0000 34160.5111 -149674.7813 298.3322 -183835.2924 -149571.1786 298.4258 68.1538 104.3059 556920.7682 0.1348 0.1203 PRESSURE: 3932800 -93.0103 -36.6202 -41.5994 -36.6194 -70.3765 68.6155 -41.6003 68.6162 16.5961 GPRESSURE: 3932800 -15.9165 52.5197 -19.2338 -100.187 -19.3442 41.187 -19.556 43.6741 -29.0977 PRESSAVG: 3932800 71.2847 50.7691 -24.383 50.7692 -29.8783 -15.9253 -24.3831 -15.9252 -15.4899 GPRESSAVG: 3932800 70.5003 52.7729 -22.5584 49.7371 -29.4933 -15.8898 -26.1692 -14.9027 -14.8684 TIMING: 3932800 CPU: 11791.5, 0.00307062/step Wall: 11791.5, 0.00307062/step, 0.910269 hours remaining, 206.777344 MB of memory in use. ENERGY: 3932800 762.8372 2163.9236 1942.3156 104.3890 -206637.9080 17885.3999 0.0000 0.0000 34171.3513 -149607.6915 298.4269 -183779.0427 -149512.0787 298.5192 -48.9303 -21.4528 558045.9502 8.6388 8.7129 PRESSURE: 3933000 30.8296 51.9313 -65.3284 51.9316 -175.851 -3.37525 -65.3292 -3.37573 -189.77 GPRESSURE: 3933000 9.98094 39.2273 -16.5263 -37.8356 -115.19 71.3402 -112.804 -35.2794 -125.85 PRESSAVG: 3933000 23.7982 29.4094 -47.2529 29.4094 45.2229 -0.0808003 -47.2529 -0.0807564 -39.1269 GPRESSAVG: 3933000 23.8868 27.7606 -48.3723 30.1802 45.7224 -1.86165 -48.4198 1.79491 -39.5277 TIMING: 3933000 CPU: 11792.1, 0.00306338/step Wall: 11792.1, 0.00306338/step, 0.907953 hours remaining, 206.777344 MB of memory in use. ENERGY: 3933000 755.0265 2131.6858 1950.4845 123.2302 -206599.3578 17707.8453 0.0000 0.0000 34377.4708 -149553.6147 300.2270 -183931.0856 -149458.2948 298.7747 -111.5969 -77.0197 557842.5214 9.9647 10.0272 PRESSURE: 3933200 13.7456 -41.4707 -98.5655 -41.4717 -107.926 66.0391 -98.5651 66.0388 22.591 GPRESSURE: 3933200 1.22184 9.24711 -58.6431 -32.5081 -58.7892 24.9645 -146.525 53.5604 72.113 PRESSAVG: 3933200 45.584 14.3949 8.97977 14.3948 -3.14548 -2.19216 8.97974 -2.19213 -69.2222 GPRESSAVG: 3933200 47.6053 15.2532 10.7787 13.9959 -4.90122 0.961097 8.65168 -3.93407 -69.7079 TIMING: 3933200 CPU: 11792.7, 0.00308708/step Wall: 11792.7, 0.00308708/step, 0.914804 hours remaining, 206.777344 MB of memory in use. ENERGY: 3933200 751.3862 2099.1715 1958.7233 123.2703 -206416.9662 17968.4539 0.0000 0.0000 34060.3422 -149455.6188 297.4574 -183515.9610 -149348.7502 298.3877 -23.8632 4.8486 558073.5794 -8.9279 -9.0013 PRESSURE: 3933400 164.263 20.9835 228.1 20.9838 -294.468 35.9434 228.1 35.9437 80.5476 GPRESSURE: 3933400 196.317 -61.8934 216.653 26.1766 -283.252 -29.0737 247.41 54.417 152.652 PRESSAVG: 3933400 13.8382 -22.1952 36.8268 -22.1952 -22.5786 7.18959 36.8269 7.18972 -28.1521 GPRESSAVG: 3933400 13.0882 -20.6056 36.1277 -21.8624 -22.1303 6.71631 38.3015 5.61221 -28.0003 TIMING: 3933400 CPU: 11793.3, 0.00305265/step Wall: 11793.3, 0.00305265/step, 0.904433 hours remaining, 206.777344 MB of memory in use. ENERGY: 3933400 747.0638 2091.0791 1934.9274 128.3905 -206235.2648 17851.2864 0.0000 0.0000 34028.1030 -149454.4145 297.1759 -183482.5175 -149366.2836 297.7305 -16.5525 21.9059 556755.1847 -12.2975 -12.3475 PRESSURE: 3933600 -102.238 28.8976 33.6055 28.897 202.766 64.0213 33.6054 64.0227 -133.91 GPRESSURE: 3933600 -71.7351 -21.6656 79.3191 49.9887 287.303 -25.1103 20.0398 74.6625 -147.227 PRESSAVG: 3933600 61.8663 9.85727 -15.6956 9.85717 7.23421 -3.9229 -15.6955 -3.92288 -63.0647 GPRESSAVG: 3933600 60.9464 9.84103 -15.6641 11.4838 8.60474 -5.52842 -13.9087 -2.89142 -63.4858 TIMING: 3933600 CPU: 11793.9, 0.00305901/step Wall: 11793.9, 0.00305901/step, 0.906147 hours remaining, 206.777344 MB of memory in use. ENERGY: 3933600 742.6020 2052.1776 1947.1724 112.2609 -206071.2498 17716.8928 0.0000 0.0000 34051.8688 -149448.2753 297.3834 -183500.1441 -149343.1844 298.3288 -11.1269 22.7803 556014.7300 2.0119 2.0218 PRESSURE: 3933800 -214.026 -16.7109 -206.582 -16.7108 -212.294 28.518 -206.582 28.5189 -630.589 GPRESSURE: 3933800 -233.066 -26.2832 -224.176 -49.6358 -126.56 55.8724 -180.819 4.78663 -605.413 PRESSAVG: 3933800 0.996121 4.87591 15.5206 4.87601 28.5611 11.3539 15.5206 11.3539 -39.2308 GPRESSAVG: 3933800 0.0312059 2.66697 15.1751 2.57576 29.4435 10.6376 13.5254 12.3422 -39.4971 TIMING: 3933800 CPU: 11794.5, 0.00304897/step Wall: 11794.5, 0.00304898/step, 0.903005 hours remaining, 206.777344 MB of memory in use. ENERGY: 3933800 741.5896 2073.4903 1920.8605 108.9602 -205697.8684 17307.0590 0.0000 0.0000 34132.6888 -149413.2200 298.0893 -183545.9088 -149319.4259 298.0035 -352.3031 -321.6796 559357.7668 -3.2245 -3.3408 PRESSURE: 3934000 -9.77583 -15.0525 -97.9678 -15.0522 64.4564 88.3473 -97.9679 88.3454 4.82392 GPRESSURE: 3934000 24.3544 38.5408 -46.6474 -107.055 98.8498 76.4413 -183.759 37.719 38.8321 PRESSAVG: 3934000 38.4695 -32.2605 -39.3749 -32.2605 -38.2149 22.6747 -39.3748 22.6746 10.9987 GPRESSAVG: 3934000 39.5595 -31.2244 -42.2038 -30.0657 -39.8194 22.4161 -36.598 20.7838 11.539 TIMING: 3934000 CPU: 11795.1, 0.0030224/step Wall: 11795.1, 0.0030224/step, 0.894967 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: 3934000 773.0889 2036.9391 1927.3214 110.1889 -206354.8303 18057.9339 0.0000 0.0000 34276.3947 -149172.9633 299.3443 -183449.3581 -149071.5173 298.8673 19.8348 54.0121 558384.3005 3.7511 3.7597 PRESSURE: 3934200 244.748 3.53402 -130.149 3.53324 -91.5936 -184.363 -130.149 -184.363 -40.4223 GPRESSURE: 3934200 250.857 24.6555 -161.498 -34.4068 -90.0819 -188.83 -148.911 -222.187 54.7257 PRESSAVG: 3934200 -3.6012 -31.1355 -51.4681 -31.1356 12.4537 59.8019 -51.468 59.802 0.615124 GPRESSAVG: 3934200 -3.97081 -31.0166 -47.8342 -33.5305 11.9359 59.4121 -56.3139 61.6619 1.93848 TIMING: 3934200 CPU: 11795.8, 0.00304838/step Wall: 11795.8, 0.00304838/step, 0.902491 hours remaining, 206.777344 MB of memory in use. ENERGY: 3934200 756.3261 2130.3859 1939.1306 123.1907 -206081.8940 17750.2900 0.0000 0.0000 34250.6805 -149131.8900 299.1197 -183382.5706 -149039.2660 298.7885 37.5774 71.8336 558136.9267 3.1559 3.3012 PRESSURE: 3934400 -104.338 141.865 -109.329 141.865 154.531 -77.8191 -109.328 -77.8198 243.372 GPRESSURE: 3934400 -30.9135 123.909 -40.3855 86.1493 188.473 -124.837 -48.4012 -34.7466 219.856 PRESSAVG: 3934400 -22.4597 -16.3859 -38.3096 -16.3859 6.43757 29.117 -38.3096 29.117 35.3813 GPRESSAVG: 3934400 -22.4068 -17.3139 -37.8528 -15.5373 6.29375 27.4636 -35.99 28.1262 35.3868 TIMING: 3934400 CPU: 11796.4, 0.00302371/step Wall: 11796.4, 0.00302371/step, 0.895019 hours remaining, 206.777344 MB of memory in use. ENERGY: 3934400 773.0636 2051.3702 1906.9676 107.3289 -206445.2230 17997.0103 0.0000 0.0000 34308.2775 -149301.2049 299.6227 -183609.4824 -149204.2923 299.1683 97.8550 125.8053 557954.2600 6.4531 6.4246 PRESSURE: 3934600 -70.1847 111.148 4.65799 111.149 -59.3561 11.2695 4.65817 11.2691 -189.796 GPRESSURE: 3934600 -7.48427 8.50527 70.9153 148.888 -42.9793 66.77 33.5947 -81.1845 -162.202 PRESSAVG: 3934600 -1.94627 26.6813 -2.22137 26.6813 47.66 3.31541 -2.22138 3.31532 10.7039 GPRESSAVG: 3934600 -2.36982 28.0198 -2.32121 26.8299 48.0026 4.9457 -1.55904 3.74881 10.9223 TIMING: 3934600 CPU: 11797, 0.00303453/step Wall: 11797, 0.00303453/step, 0.898053 hours remaining, 206.777344 MB of memory in use. ENERGY: 3934600 748.6485 2111.0816 1926.8952 113.3444 -206544.8151 17868.3243 0.0000 0.0000 34207.3366 -149569.1844 298.7412 -183776.5210 -149468.6770 298.8606 -106.4454 -70.8886 558336.3765 18.8059 18.8517 PRESSURE: 3934800 -72.2168 -49.0358 -37.8 -49.0349 340.313 -8.66804 -37.8008 -8.66762 -311.131 GPRESSURE: 3934800 -72.4082 -76.7528 -63.7558 -10.3245 383.174 16.8736 24.8091 -15.3343 -258.014 PRESSAVG: 3934800 -45.6015 -39.9753 17.9316 -39.9753 93.4614 24.5264 17.9317 24.5265 -84.2402 GPRESSAVG: 3934800 -44.8796 -41.7109 16.1212 -40.1591 93.1756 24.6797 18.2355 25.2511 -85.2555 TIMING: 3934800 CPU: 11797.6, 0.00306314/step Wall: 11797.6, 0.00306314/step, 0.906348 hours remaining, 206.777344 MB of memory in use. ENERGY: 3934800 735.1899 2108.9082 1954.8398 125.1332 -206430.9961 17944.7503 0.0000 0.0000 34098.9335 -149463.2411 297.7945 -183562.1746 -149365.9111 298.2590 -14.3447 17.5840 557762.3066 -12.1268 -12.3198 PRESSURE: 3935000 -88.133 50.9074 -71.2025 50.9057 -167.696 -207.141 -71.2026 -207.142 -99.1442 GPRESSURE: 3935000 -22.4964 35.8518 -93.9584 105.594 -129.906 -176.005 -69.1906 -196.24 -119.552 PRESSAVG: 3935000 -6.97386 44.5383 -27.7182 44.5383 4.53638 -13.7611 -27.7182 -13.761 34.9132 GPRESSAVG: 3935000 -7.32385 45.0105 -24.3726 45.0257 4.48023 -15.5481 -29.5392 -14.5242 35.2058 TIMING: 3935000 CPU: 11798.2, 0.00307307/step Wall: 11798.2, 0.00307307/step, 0.909117 hours remaining, 206.777344 MB of memory in use. ENERGY: 3935000 733.7254 2122.4179 1940.3398 108.6691 -206371.5274 17625.7933 0.0000 0.0000 34409.9884 -149430.5935 300.5110 -183840.5819 -149340.3720 298.9235 -118.3244 -90.6513 557152.0083 10.8252 10.7874 PRESSURE: 3935200 -371.711 90.7796 -141.117 90.7798 -285.364 -50.6958 -141.116 -50.6969 -318.433 GPRESSURE: 3935200 -270.308 197.608 -59.6637 134.7 -251.619 -63.9258 -142.251 -63.7665 -359.68 PRESSAVG: 3935200 -23.3155 -4.1031 3.51393 -4.1031 -19.5283 -30.2782 3.51386 -30.2783 -9.611 GPRESSAVG: 3935200 -23.4344 -3.33987 1.39102 -2.18036 -17.6498 -29.5554 2.80602 -28.8766 -11.1711 TIMING: 3935200 CPU: 11798.8, 0.00303489/step Wall: 11798.8, 0.00303489/step, 0.897654 hours remaining, 206.777344 MB of memory in use. ENERGY: 3935200 751.3429 2113.6900 1946.0113 118.5185 -205923.7962 17278.6230 0.0000 0.0000 34362.9870 -149352.6235 300.1005 -183715.6105 -149254.8644 298.5090 -325.1692 -293.8689 557096.7354 -17.4849 -17.4184 PRESSURE: 3935400 44.7363 -168.066 -41.651 -168.065 -160.653 -82.593 -41.6514 -82.5913 195.042 GPRESSURE: 3935400 57.0577 -171.794 -32.9832 -114.011 -69.6994 -17.8569 3.14005 -127.77 186.64 PRESSAVG: 3935400 19.6944 -15.4575 -18.0128 -15.4574 22.9054 20.4787 -18.0127 20.4787 -14.6304 GPRESSAVG: 3935400 19.5398 -16.5061 -18.69 -17.8503 21.9352 22.6666 -16.9649 16.5763 -13.8954 TIMING: 3935400 CPU: 11799.4, 0.00301258/step Wall: 11799.4, 0.00301258/step, 0.890886 hours remaining, 206.777344 MB of memory in use. ENERGY: 3935400 738.0928 2087.5424 1938.1285 112.3915 -206530.6792 17938.9480 0.0000 0.0000 34185.3498 -149530.2263 298.5492 -183715.5761 -149433.6455 298.7801 26.3749 57.9996 556896.0461 9.3231 9.1932 PRESSURE: 3935600 4.9691 73.776 8.28541 73.7771 123.393 -51.59 8.28431 -51.5904 -193.596 GPRESSURE: 3935600 59.1251 -1.58196 2.53922 92.013 123.776 -38.6382 45.2495 -66.0239 -137.599 PRESSAVG: 3935600 67.9327 -9.49189 31.3262 -9.492 33.9407 -3.38467 31.3262 -3.38469 -66.5449 GPRESSAVG: 3935600 67.7836 -8.16532 32.0987 -9.63763 34.1802 -3.76387 31.2002 -3.00844 -66.6578 TIMING: 3935600 CPU: 11800, 0.00303866/step Wall: 11800, 0.00303866/step, 0.898429 hours remaining, 206.777344 MB of memory in use. ENERGY: 3935600 751.0575 2124.8078 1928.4208 99.8704 -206335.2591 17783.8030 0.0000 0.0000 33963.0749 -149684.2246 296.6080 -183647.2995 -149585.4194 298.4339 -21.7449 15.1010 556519.5038 11.7762 11.7687 PRESSURE: 3935800 189.139 51.2679 -27.7039 51.2681 169.586 24.8287 -27.7037 24.829 -286.829 GPRESSURE: 3935800 154.999 31.2382 -116.888 105.481 194.111 21.4596 -47.6602 3.92341 -181.642 PRESSAVG: 3935800 86.2505 -9.51117 66.2098 -9.51112 -26.1708 8.56434 66.2097 8.56445 -87.1897 GPRESSAVG: 3935800 87.0784 -10.148 65.2989 -8.89436 -26.58 7.96494 66.6899 9.52297 -87.629 TIMING: 3935800 CPU: 11800.6, 0.00304169/step Wall: 11800.6, 0.00304169/step, 0.899157 hours remaining, 206.777344 MB of memory in use. ENERGY: 3935800 727.2140 2080.3542 1950.2854 108.7182 -206460.5887 17831.5007 0.0000 0.0000 34191.1393 -149571.3770 298.5997 -183762.5163 -149483.8038 298.9427 23.9652 55.8223 556714.6702 -9.0367 -9.0435 PRESSURE: 3936000 -49.1262 -21.9545 9.65986 -21.9547 10.8219 -125.79 9.65949 -125.79 64.3591 GPRESSURE: 3936000 -7.68519 37.8034 46.3938 -11.4756 77.7472 -81.3923 -41.8781 -126.941 66.1195 PRESSAVG: 3936000 26.9558 -2.39401 -53.2294 -2.39414 -16.0196 18.2101 -53.2295 18.2101 -35.5792 GPRESSAVG: 3936000 26.0224 -0.71281 -51.4018 -4.1485 -15.1468 18.1931 -54.7853 19.3608 -35.9944 TIMING: 3936000 CPU: 11801.2, 0.00303562/step Wall: 11801.2, 0.00303562/step, 0.897196 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: 3936000 723.3258 2051.6134 1957.6312 124.4079 -206211.2911 17795.0090 0.0000 0.0000 34221.6344 -149337.6693 298.8660 -183559.3038 -149240.3598 299.0737 8.6849 45.3938 557117.3797 -8.2143 -8.3730 PRESSURE: 3936200 9.57072 87.6542 15.0336 87.6543 132.414 111.99 15.0337 111.989 22.2094 GPRESSURE: 3936200 73.8355 128.77 44.7339 33.3831 165.064 99.49 -71.7156 79.9527 27.153 PRESSAVG: 3936200 -8.53436 8.43168 -38.051 8.43165 28.1466 -10.2261 -38.051 -10.226 -33.9661 GPRESSAVG: 3936200 -8.29786 6.50156 -40.5957 10.5293 27.8568 -11.0867 -34.9325 -11.6751 -33.2563 TIMING: 3936200 CPU: 11801.8, 0.00303859/step Wall: 11801.8, 0.00303859/step, 0.897902 hours remaining, 206.777344 MB of memory in use. ENERGY: 3936200 759.2206 2071.2135 1947.4224 109.1649 -206307.6196 17876.9283 0.0000 0.0000 34177.5272 -149366.1426 298.4808 -183543.6698 -149275.4501 299.2135 54.7314 88.6842 556259.7283 -4.7846 -4.5658 LDB: ============= START OF LOAD BALANCING ============== 11805.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11805.3 LDB: =============== DONE WITH MIGRATION ================ 11805.3 LDB: ============= START OF LOAD BALANCING ============== 11805.6 LDB: Largest compute 4820 load 0.024943 is 21.1% of average load 0.118116 LDB: Average compute 0.001736 is 1.5% of average load 0.118116 LDB: TIME 11805.6 LOAD: AVG 0.118116 MAX 0.216289 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.133 MB LDB: TIME 11805.6 LOAD: AVG 0.118116 MAX 0.216289 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: TIME 11805.6 LOAD: AVG 0.118116 MAX 0.216289 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.133 MB LDB: ============== END OF LOAD BALANCING =============== 11805.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11805.6 PRESSURE: 3936400 -92.1902 67.8891 -172.244 67.8895 -125.271 239.76 -172.245 239.76 -296.877 GPRESSURE: 3936400 -18.5525 65.6311 -202.846 71.8752 -118.403 136.842 -148.283 305.73 -280.356 PRESSAVG: 3936400 -54.5109 -2.66618 -4.33606 -2.66621 44.4306 -10.7879 -4.33611 -10.7879 -26.1316 GPRESSAVG: 3936400 -52.7862 -1.19763 -3.45572 -4.00063 43.7361 -9.49617 -5.78648 -10.6339 -27.2608 TIMING: 3936400 CPU: 11802.4, 0.00309498/step Wall: 11802.4, 0.00309498/step, 0.914394 hours remaining, 206.976562 MB of memory in use. ENERGY: 3936400 723.7153 2140.0139 1967.3978 99.6082 -206283.8925 17513.2689 0.0000 0.0000 34293.6739 -149546.2146 299.4952 -183839.8885 -149456.3547 298.9772 -171.4460 -139.1037 555497.9827 -12.0706 -12.1037 PRESSURE: 3936600 -16.0205 -129.861 -174.063 -129.861 -110.529 -71.8104 -174.064 -71.8088 33.1262 GPRESSURE: 3936600 43.0463 -78.2991 -276.26 -148.987 -74.7023 -17.5945 -123.075 -49.3856 27.007 PRESSAVG: 3936600 -6.60617 0.965597 -7.92764 0.965709 -25.9658 -42.0678 -7.92764 -42.0678 54.2113 GPRESSAVG: 3936600 -8.01203 1.57087 -8.95045 0.577555 -25.3625 -42.5617 -5.42574 -41.7106 54.5113 TIMING: 3936600 CPU: 11803.1, 0.00303484/step Wall: 11803.1, 0.00303484/step, 0.896457 hours remaining, 206.976562 MB of memory in use. ENERGY: 3936600 777.0946 2086.1863 1978.2263 120.0129 -206592.6188 17868.9280 0.0000 0.0000 34426.4911 -149335.6795 300.6551 -183762.1707 -149235.5637 299.0332 -31.1412 -1.5496 555282.0052 7.2131 7.0456 PRESSURE: 3936800 244.698 -30.3418 -78.6876 -30.3426 -82.6997 -168.079 -78.6862 -168.078 -109.533 GPRESSURE: 3936800 230.491 -29.023 -167.715 6.57313 -10.7159 -88.1868 -61.9449 -131.76 -70.1909 PRESSAVG: 3936800 19.2757 25.5319 28.0757 25.5319 14.4491 -34.9317 28.0757 -34.9317 -36.5445 GPRESSAVG: 3936800 19.4218 25.7948 28.5217 27.0668 13.8114 -34.6627 26.1112 -34.8302 -36.0944 TIMING: 3936800 CPU: 11803.7, 0.00302337/step Wall: 11803.7, 0.00302337/step, 0.892901 hours remaining, 206.976562 MB of memory in use. ENERGY: 3936800 754.4826 2100.1352 1935.3308 113.8160 -206381.0180 17849.8390 0.0000 0.0000 34221.1169 -149406.2975 298.8615 -183627.4144 -149316.5713 298.9727 17.4885 49.8614 556830.0753 -0.9399 -0.9538 PRESSURE: 3937000 -260.718 45.6327 31.1953 45.6307 -92.9673 11.0469 31.196 11.0455 -83.1626 GPRESSURE: 3937000 -184.054 -39.6398 97.4992 31.4998 -47.4077 -25.802 -6.41545 -5.29741 -117.65 PRESSAVG: 3937000 7.33569 -17.449 20.3122 -17.4489 15.9424 -3.22188 20.3122 -3.22209 -35.9651 GPRESSAVG: 3937000 6.61546 -19.4375 20.9564 -17.4775 15.9854 -2.08455 19.6803 -4.04131 -36.4351 TIMING: 3937000 CPU: 11804.3, 0.00304471/step Wall: 11804.3, 0.00304471/step, 0.899036 hours remaining, 206.976562 MB of memory in use. ENERGY: 3937000 699.1564 2090.3454 1957.4424 104.1344 -205828.8849 17493.5837 0.0000 0.0000 34164.3015 -149319.9212 298.3653 -183484.2226 -149221.6410 298.5099 -145.6158 -116.3704 558035.8713 -4.2290 -4.6114 PRESSURE: 3937200 -181.482 92.7876 186.143 92.7874 -81.1934 -124.185 186.144 -124.185 11.6018 GPRESSURE: 3937200 -82.8277 89.905 206.856 26.1986 -92.1333 -143.893 123.415 -68.418 30.6476 PRESSAVG: 3937200 29.3039 -26.0013 68.3922 -26.0013 -2.07055 -48.8045 68.3922 -48.8045 -51.4687 GPRESSAVG: 3937200 29.9221 -23.2823 66.9517 -27.8256 -2.04582 -50.5257 67.9392 -48.7658 -52.1683 TIMING: 3937200 CPU: 11804.9, 0.00305077/step Wall: 11804.9, 0.00305077/step, 0.900656 hours remaining, 206.976562 MB of memory in use. ENERGY: 3937200 749.5491 2125.5120 1933.5740 113.4632 -206065.6232 17745.3793 0.0000 0.0000 34025.2714 -149372.8742 297.1512 -183398.1456 -149275.3073 298.6485 -83.6911 -48.1044 556246.9152 -8.0785 -8.0973 PRESSURE: 3937400 -43.8622 -89.9341 39.1803 -89.9333 117.889 123.004 39.1788 123.005 -172.695 GPRESSURE: 3937400 -8.83439 -114.865 63.5913 -5.97426 181.04 87.0634 -55.9685 142.34 -165.735 PRESSAVG: 3937400 -6.15394 28.5746 49.7814 28.5745 -15.0413 18.0667 49.7814 18.0667 32.3262 GPRESSAVG: 3937400 -5.08417 26.6781 49.9352 30.3504 -14.7439 17.9175 50.0084 19.5997 31.2358 TIMING: 3937400 CPU: 11805.5, 0.00305426/step Wall: 11805.5, 0.00305426/step, 0.901516 hours remaining, 206.976562 MB of memory in use. ENERGY: 3937400 752.2716 2065.6207 1915.2395 120.3216 -206307.1160 17773.4128 0.0000 0.0000 34339.7808 -149340.4689 299.8978 -183680.2497 -149239.3006 298.7811 -32.8895 2.1569 557481.1190 3.7103 3.8026 PRESSURE: 3937600 -60.1141 -52.8274 -11.9013 -52.8272 -205.049 -16.3546 -11.9011 -16.3535 -201.223 GPRESSURE: 3937600 -0.321256 -161.907 -40.5008 -39.1058 -191.02 40.2016 33.1585 36.5174 -179.018 PRESSAVG: 3937600 56.7314 -3.36705 -36.47 -3.36704 -35.5702 28.602 -36.47 28.6019 -25.5288 GPRESSAVG: 3937600 55.4094 -2.5261 -34.2394 -5.66644 -36.5563 27.9889 -35.0165 25.4571 -23.6764 TIMING: 3937600 CPU: 11806.1, 0.00305315/step Wall: 11806.1, 0.00305315/step, 0.901017 hours remaining, 206.976562 MB of memory in use. ENERGY: 3937600 743.4514 2120.5558 1918.1866 104.5375 -206460.5774 17711.0743 0.0000 0.0000 34444.9128 -149417.8591 300.8160 -183862.7719 -149325.7753 298.6239 -155.4618 -123.4530 557893.7488 -1.4559 -1.6077 PRESSURE: 3937800 -178.014 -57.6318 37.4261 -57.6312 -228.975 86.2087 37.4251 86.2088 -214.976 GPRESSURE: 3937800 -156.731 -27.5125 72.5792 -81.7862 -155.973 58.1127 26.9873 96.2804 -220.872 PRESSAVG: 3937800 37.7563 -27.1248 39.7587 -27.1249 -66.1086 -11.164 39.7586 -11.1639 4.63173 GPRESSAVG: 3937800 38.165 -27.2448 38.9056 -25.826 -65.5782 -9.20384 37.7083 -9.09794 3.07139 TIMING: 3937800 CPU: 11806.7, 0.00304288/step Wall: 11806.7, 0.00304288/step, 0.897819 hours remaining, 206.976562 MB of memory in use. ENERGY: 3937800 797.2358 2060.4510 1959.2333 102.7179 -206270.3835 17752.7219 0.0000 0.0000 34252.9492 -149345.0744 299.1395 -183598.0236 -149246.3679 299.6881 -207.3218 -177.8586 559178.5958 -7.9069 -8.1140 PRESSURE: 3938000 -141.211 -120.677 130.697 -120.676 -179.012 71.7422 130.696 71.7422 -442.064 GPRESSURE: 3938000 -136.536 -59.4432 124.167 -164.222 -125.74 35.9776 139.076 113.227 -407.03 PRESSAVG: 3938000 -52.6221 11.2754 -1.90554 11.2754 44.1477 -32.2109 -1.90545 -32.2109 -17.8228 GPRESSAVG: 3938000 -52.834 12.84 -0.787046 9.82942 44.0561 -33.8784 -2.99791 -33.5839 -18.0654 TIMING: 3938000 CPU: 11807.3, 0.00306711/step Wall: 11807.3, 0.00306711/step, 0.904796 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: 3938000 769.9354 2110.0864 1933.2816 111.8065 -206044.1847 17535.4900 0.0000 0.0000 34355.6367 -149227.9482 300.0363 -183583.5849 -149128.1104 298.8734 -254.0957 -223.1020 559135.6116 -8.7657 -8.9478 PRESSURE: 3938200 364.824 12.4917 -210.927 12.4917 -188.464 -12.9901 -210.926 -12.9907 12.2389 GPRESSURE: 3938200 419.904 86.6645 -180.822 -20.35 -215.202 -63.1249 -171.299 -24.6406 86.4503 PRESSAVG: 3938200 46.9716 -25.859 -64.0389 -25.859 -57.2048 5.12476 -64.039 5.12483 31.2575 GPRESSAVG: 3938200 46.5829 -25.7238 -65.5506 -25.1363 -58.1853 6.26762 -59.6773 4.8851 32.1629 TIMING: 3938200 CPU: 11807.9, 0.00309211/step Wall: 11807.9, 0.00309211/step, 0.912002 hours remaining, 206.976562 MB of memory in use. ENERGY: 3938200 725.3652 2127.3853 1942.0513 116.9244 -206402.9341 17883.4970 0.0000 0.0000 34238.6091 -149369.1018 299.0143 -183607.7110 -149267.2651 299.1481 62.8661 97.0509 555856.6822 7.0081 6.8535 PRESSURE: 3938400 51.7422 -52.2531 -75.5719 -52.2532 -56.2145 -5.75321 -75.5717 -5.75314 -297.456 GPRESSURE: 3938400 105.963 -10.5969 -51.258 42.0016 -43.4253 -3.03491 -79.067 -86.601 -261.928 PRESSAVG: 3938400 -25.0522 -6.82542 3.08439 -6.8254 -4.07948 6.63057 3.08444 6.63056 24.6655 GPRESSAVG: 3938400 -25.3764 -8.03265 1.83988 -5.70106 -2.66547 6.1214 1.67871 6.09626 24.187 TIMING: 3938400 CPU: 11808.6, 0.00304851/step Wall: 11808.6, 0.00304851/step, 0.89897 hours remaining, 206.976562 MB of memory in use. ENERGY: 3938400 753.1828 2125.4205 1928.5074 104.6227 -206036.8659 17654.3810 0.0000 0.0000 34223.5403 -149247.2113 298.8827 -183470.7516 -149150.4541 299.1117 -100.6426 -66.4635 556737.2606 -1.4887 -1.2850 PRESSURE: 3938600 -167.629 -36.8506 -291.944 -36.8501 -26.9263 12.8554 -291.944 12.8545 -111.822 GPRESSURE: 3938600 -165.657 -112.547 -381.885 45.7035 -32.7382 40.5039 -201.937 -23.5354 -17.8032 PRESSAVG: 3938600 91.4632 16.9254 9.89219 16.9255 -52.6164 5.0385 9.89207 5.03838 -39.0225 GPRESSAVG: 3938600 92.1237 16.0734 9.35606 16.1994 -52.674 5.37428 10.6782 6.06018 -39.7347 TIMING: 3938600 CPU: 11809.2, 0.0030505/step Wall: 11809.2, 0.0030505/step, 0.89939 hours remaining, 206.976562 MB of memory in use. ENERGY: 3938600 783.8125 2103.6367 1897.1888 100.1996 -205825.5901 17593.4836 0.0000 0.0000 34101.1580 -149246.1108 297.8139 -183347.2688 -149156.7501 299.3607 -102.1257 -72.0661 557095.1091 -0.0586 -0.0950 PRESSURE: 3938800 42.2894 -89.6643 -22.1434 -89.6648 319.677 116.22 -22.1444 116.217 -131.731 GPRESSURE: 3938800 104.272 -15.029 -48.6617 -84.8539 298.31 143.468 -4.94282 33.5839 -87.002 PRESSAVG: 3938800 -1.87461 -13.8973 -31.4371 -13.8974 53.3321 -36.9578 -31.4371 -36.9578 -43.2964 GPRESSAVG: 3938800 -2.43302 -13.4678 -30.9459 -11.7096 53.6802 -37.3272 -32.1785 -38.7436 -42.9727 TIMING: 3938800 CPU: 11809.8, 0.00306306/step Wall: 11809.8, 0.00306306/step, 0.902922 hours remaining, 206.976562 MB of memory in use. ENERGY: 3938800 794.7731 2027.1983 1922.1096 116.3054 -206255.9683 17944.4256 0.0000 0.0000 33978.7835 -149472.3726 296.7452 -183451.1562 -149376.5436 298.8582 76.7450 105.1933 555613.8502 2.7204 2.7581 PRESSURE: 3939000 116.94 99.3084 -181.425 99.3073 -161.765 53.1964 -181.425 53.198 -75.1118 GPRESSURE: 3939000 145.838 166.445 -122.946 112.18 -109.966 45.053 -184.205 101.699 -73.4447 PRESSAVG: 3939000 -9.44901 52.0641 -35.5737 52.064 -52.042 -0.0845447 -35.5737 -0.0845086 19.5121 GPRESSAVG: 3939000 -8.34711 52.0962 -34.8898 50.3042 -51.9382 -0.396469 -35.988 1.35089 18.308 TIMING: 3939000 CPU: 11810.4, 0.00306819/step Wall: 11810.4, 0.00306819/step, 0.904264 hours remaining, 206.976562 MB of memory in use. ENERGY: 3939000 766.9336 2103.1534 1935.3298 111.5787 -206297.6895 17833.7312 0.0000 0.0000 34225.9808 -149320.9820 298.9040 -183546.9629 -149224.0247 299.1226 -39.9789 -12.5243 556485.2072 -13.9930 -13.9924 PRESSURE: 3939200 -132.034 178.892 -145.442 178.892 -248.333 7.02195 -145.44 7.02197 129.011 GPRESSURE: 3939200 -148.357 84.1889 -159.48 154.291 -177.185 -38.5734 -126.252 50.8726 186.687 PRESSAVG: 3939200 34.6206 57.6171 -52.789 57.617 -30.6212 -10.9529 -52.7889 -10.9528 4.77921 GPRESSAVG: 3939200 34.3805 58.547 -53.6034 57.7565 -31.0839 -10.1664 -51.6508 -11.0197 5.49684 TIMING: 3939200 CPU: 11811, 0.00304904/step Wall: 11811, 0.00304904/step, 0.898451 hours remaining, 206.976562 MB of memory in use. ENERGY: 3939200 741.1994 2071.3798 1927.4037 113.2453 -206314.3766 17816.7457 0.0000 0.0000 34251.4507 -149392.9521 299.1264 -183644.4028 -149299.0045 299.0713 -83.7853 -46.2849 557706.7058 2.9262 2.9311 PRESSURE: 3939400 101.981 -83.6579 -17.7855 -83.6571 118.861 83.8182 -17.7857 83.8209 -33.815 GPRESSURE: 3939400 184.788 15.7273 65.4273 -71.4728 106.86 118.41 -158.934 129.159 -9.64054 PRESSAVG: 3939400 -50.253 -27.4559 7.74176 -27.4559 -0.0872271 -1.15339 7.74171 -1.15335 -2.33183 GPRESSAVG: 3939400 -50.5019 -28.5274 8.8986 -26.6018 -1.57542 -1.33708 6.77823 -0.0704477 -1.30685 TIMING: 3939400 CPU: 11811.6, 0.00306012/step Wall: 11811.6, 0.00306012/step, 0.901544 hours remaining, 206.976562 MB of memory in use. ENERGY: 3939400 756.7528 2085.9743 1948.6762 111.2332 -206779.9562 18006.1022 0.0000 0.0000 34416.7926 -149454.4247 300.5704 -183871.2174 -149358.5802 299.4875 62.3424 94.0026 556557.4971 -17.5573 -17.7947 PRESSURE: 3939600 -136.668 -19.693 -76.97 -19.6941 -120.524 136.941 -76.9703 136.941 -259.629 GPRESSURE: 3939600 -118.133 33.1981 -107.03 -25.9085 -39.0791 137.738 -53.0865 129.86 -246.951 PRESSAVG: 3939600 3.41788 -22.8333 -21.995 -22.8332 31.7191 -31.8218 -21.995 -31.8217 -36.6346 GPRESSAVG: 3939600 2.82514 -22.2771 -23.1631 -25.1748 32.7214 -30.8571 -21.0774 -31.8076 -37.0229 TIMING: 3939600 CPU: 11812.2, 0.00305597/step Wall: 11812.2, 0.00305597/step, 0.900154 hours remaining, 206.976562 MB of memory in use. ENERGY: 3939600 727.9526 2147.9224 1911.6128 103.2424 -206627.7177 17812.2372 0.0000 0.0000 34483.1658 -149441.5845 301.1501 -183924.7503 -149340.7282 299.3861 -172.2736 -134.7210 558962.5284 -0.4992 -0.4921 PRESSURE: 3939800 -143.882 -149.916 64.5413 -149.916 -8.22548 -81.4095 64.5409 -81.4086 154.268 GPRESSURE: 3939800 -48.7934 -209.765 67.1146 -154.842 5.27554 -14.3381 37.9663 -119.985 138.34 PRESSAVG: 3939800 18.2759 -16.8687 -24.2535 -16.8686 27.1386 34.1417 -24.2535 34.1417 -36.3497 GPRESSAVG: 3939800 18.3436 -16.634 -24.347 -14.8241 27.0779 33.0044 -24.9582 34.6428 -36.3099 TIMING: 3939800 CPU: 11812.8, 0.00307155/step Wall: 11812.8, 0.00307155/step, 0.90457 hours remaining, 206.976562 MB of memory in use. ENERGY: 3939800 758.2063 2109.7507 1933.8927 104.1484 -206690.4930 17960.4172 0.0000 0.0000 34322.1572 -149501.9206 299.7439 -183824.0778 -149404.6899 299.1724 0.7205 31.6073 556997.9855 3.0216 3.0372 PRESSURE: 3940000 -118.028 37.9736 195.801 37.9746 -31.3864 59.5086 195.802 59.5086 37.4845 GPRESSURE: 3940000 -97.6469 -7.11967 246.002 52.3493 -16.1942 105.355 111.974 29.0259 97.8999 PRESSAVG: 3940000 23.3698 -34.4757 35.3624 -34.4757 -25.0372 15.9051 35.3623 15.9051 -5.28078 GPRESSAVG: 3940000 23.6889 -36.7097 36.8068 -34.848 -25.2546 16.0322 34.2054 16.8781 -5.5464 TIMING: 3940000 CPU: 11813.5, 0.00309945/step Wall: 11813.5, 0.00309945/step, 0.912614 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: 3940000 734.3408 2078.9024 1931.2762 119.9889 -206156.3355 17782.2354 0.0000 0.0000 34024.8844 -149484.7074 297.1478 -183509.5918 -149390.5696 298.4488 -37.3098 -5.3137 557595.3322 -2.3160 -2.3707 PRESSURE: 3940200 235.243 -178.538 0.787098 -178.537 6.73907 -2.80696 0.787621 -2.80728 209.646 GPRESSURE: 3940200 278.035 -124.772 -29.9552 -108.64 13.8125 13.1257 -0.951986 44.1556 259.263 PRESSAVG: 3940200 108.57 -42.8183 3.73385 -42.8182 -49.3001 12.7569 3.73389 12.7569 5.36536 GPRESSAVG: 3940200 108.325 -41.0236 2.9234 -42.8886 -48.3236 12.3849 5.11595 9.02121 4.12954 TIMING: 3940200 CPU: 11814.1, 0.00305535/step Wall: 11814.1, 0.00305535/step, 0.899462 hours remaining, 206.976562 MB of memory in use. ENERGY: 3940200 723.3337 2145.9711 1949.8974 111.3327 -206608.3814 18079.8523 0.0000 0.0000 34134.9682 -149463.0259 298.1092 -183597.9942 -149366.2657 298.6018 150.5429 183.7033 556822.8665 21.5451 21.3770 LDB: ============= START OF LOAD BALANCING ============== 11817.5 LDB: ============== END OF LOAD BALANCING =============== 11817.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11817.5 LDB: ============= START OF LOAD BALANCING ============== 11817.8 LDB: Largest compute 4820 load 0.022876 is 19.4% of average load 0.118065 LDB: Average compute 0.001729 is 1.5% of average load 0.118065 LDB: TIME 11817.8 LOAD: AVG 0.118065 MAX 0.2204 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.777 MB LDB: TIME 11817.8 LOAD: AVG 0.118065 MAX 0.2204 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.781 MB LDB: TIME 11817.8 LOAD: AVG 0.118065 MAX 0.2204 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.781 MB LDB: ============== END OF LOAD BALANCING =============== 11817.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11817.8 PRESSURE: 3940400 -157.014 0.690904 133.03 0.690851 -43.6996 49.1828 133.029 49.183 -23.6932 GPRESSURE: 3940400 -147.779 -1.01906 80.4122 -32.5104 4.17267 -64.9626 213.337 55.9309 -1.79388 PRESSAVG: 3940400 38.2872 -1.43544 16.9476 -1.43547 -49.243 53.0021 16.9477 53.0021 16.9474 GPRESSAVG: 3940400 38.7477 -2.09754 17.4447 -1.94594 -50.8037 53.3361 15.3012 54.6857 17.711 TIMING: 3940400 CPU: 11814.7, 0.00312804/step Wall: 11814.7, 0.00312804/step, 0.920686 hours remaining, 207.226562 MB of memory in use. ENERGY: 3940400 722.5563 2038.3202 1950.9932 105.2538 -206211.6385 17774.8577 0.0000 0.0000 34169.6751 -149449.9824 298.4123 -183619.6575 -149345.4689 298.6668 -74.8023 -48.4667 558648.5313 1.9972 1.8850 PRESSURE: 3940600 -413.362 61.2604 53.0477 61.2592 -95.944 -92.6174 53.0486 -92.6194 17.1251 GPRESSURE: 3940600 -388.703 42.3548 16.355 146.175 -58.1976 -86.0644 44.085 -93.331 45.756 PRESSAVG: 3940600 -29.0128 -10.2973 -21.5421 -10.2973 -49.9596 2.80186 -21.542 2.80186 73.8373 GPRESSAVG: 3940600 -28.2984 -10.4666 -21.6076 -9.69682 -50.1668 2.74642 -19.7791 1.33755 72.7806 TIMING: 3940600 CPU: 11815.3, 0.00304962/step Wall: 11815.3, 0.00304962/step, 0.897435 hours remaining, 207.429688 MB of memory in use. ENERGY: 3940600 769.4488 2076.7017 1930.8743 85.9757 -206134.5605 17588.0484 0.0000 0.0000 34337.7736 -149345.7381 299.8803 -183683.5117 -149244.9662 298.9832 -164.0602 -133.7147 558326.0837 -1.7117 -1.8949 PRESSURE: 3940800 33.0527 -79.2653 -39.1426 -79.2653 -141.505 56.7531 -39.1437 56.7538 -408.118 GPRESSURE: 3940800 80.8323 -74.1156 9.16424 -11.1197 -118.759 48.2729 -16.2908 29.0537 -373.667 PRESSAVG: 3940800 -77.1071 -16.2296 6.29791 -16.2296 2.71117 -10.3103 6.29796 -10.3103 75.7152 GPRESSAVG: 3940800 -76.6764 -15.1938 7.33606 -17.5209 2.07286 -9.78349 5.42941 -8.43124 76.0379 TIMING: 3940800 CPU: 11815.9, 0.00307046/step Wall: 11815.9, 0.00307046/step, 0.903398 hours remaining, 207.429688 MB of memory in use. ENERGY: 3940800 749.3045 2089.1401 1939.8669 114.4942 -205712.4441 17548.2355 0.0000 0.0000 34071.0042 -149200.3987 297.5506 -183271.4029 -149102.5557 298.9461 -172.1903 -137.1980 559643.1883 0.4397 0.4781 PRESSURE: 3941000 82.9612 -154.398 -67.354 -154.398 -9.73993 -237.54 -67.3534 -237.54 -215.928 GPRESSURE: 3941000 162.629 -149.016 -123.042 -197.57 -30.4635 -225.6 -19.2157 -250.273 -174.401 PRESSAVG: 3941000 30.9308 -12.393 -27.1758 -12.3931 -39.7485 3.7959 -27.1758 3.79579 -21.2522 GPRESSAVG: 3941000 29.7351 -11.7323 -28.978 -15.755 -38.8221 5.19725 -26.7463 4.21981 -21.0427 TIMING: 3941000 CPU: 11816.5, 0.00302329/step Wall: 11816.5, 0.00302329/step, 0.88935 hours remaining, 207.687500 MB of memory in use. ENERGY: 3941000 711.9158 2122.2345 1959.0111 116.8077 -206176.3292 17685.2700 0.0000 0.0000 34359.6347 -149221.4553 300.0712 -183581.0900 -149122.6681 298.9529 -47.5689 -14.0786 556458.0348 -10.0233 -10.0432 PRESSURE: 3941200 -196.237 -86.3359 -71.1821 -86.3363 -244.846 -99.8914 -71.1828 -99.8905 -78.2523 GPRESSURE: 3941200 -124.864 -98.0743 -64.2619 -51.9697 -203.089 -165.298 -96.1332 -92.1781 -100.173 PRESSAVG: 3941200 2.31844 -38.6375 9.53018 -38.6375 6.41144 -25.9355 9.53008 -25.9355 13.2274 GPRESSAVG: 3941200 2.6734 -40.4194 10.894 -35.0835 6.30914 -27.9949 7.17029 -24.934 12.9566 TIMING: 3941200 CPU: 11817.1, 0.00303661/step Wall: 11817.1, 0.00303661/step, 0.893102 hours remaining, 207.687500 MB of memory in use. ENERGY: 3941200 752.5986 2097.9787 1952.9195 123.6254 -206355.6980 17666.5937 0.0000 0.0000 34456.3579 -149305.6241 300.9159 -183761.9819 -149203.1860 299.5374 -173.1117 -142.7086 555956.4945 7.3191 7.3131 PRESSURE: 3941400 -384.697 -80.8237 -114.704 -80.8256 -95.1048 -82.609 -114.703 -82.6081 -21.5857 GPRESSURE: 3941400 -236.392 -55.4641 -153.673 -83.6353 -100.907 -95.1724 16.8698 -14.8648 -55.0329 PRESSAVG: 3941400 -58.1094 -44.9857 -7.89782 -44.9858 11.8703 -59.7677 -7.89781 -59.7677 41.2741 GPRESSAVG: 3941400 -56.9441 -44.6625 -9.06035 -44.287 10.7545 -58.2647 -5.9573 -62.9967 41.7127 TIMING: 3941400 CPU: 11817.7, 0.00303114/step Wall: 11817.7, 0.00303114/step, 0.891323 hours remaining, 207.687500 MB of memory in use. ENERGY: 3941400 719.7990 2065.9306 1964.6848 119.4881 -206227.7522 17802.9904 0.0000 0.0000 34232.8709 -149321.9883 298.9642 -183554.8593 -149215.1662 299.1591 -167.1292 -130.7773 558296.1301 -1.6550 -1.4923 PRESSURE: 3941600 239.075 25.8115 51.3157 25.8115 147.503 -0.440302 51.316 -0.439452 -146.978 GPRESSURE: 3941600 201.684 -18.6263 26.9563 96.8883 186.737 -81.0152 82.5709 -10.3564 -59.8961 PRESSAVG: 3941600 58.6928 -13.7132 32.4414 -13.7131 0.723558 -31.1663 32.4414 -31.1662 -68.8037 GPRESSAVG: 3941600 57.9227 -14.7991 32.8041 -15.0598 0.319012 -30.9998 31.7917 -30.2471 -67.5741 TIMING: 3941600 CPU: 11818.3, 0.00307324/step Wall: 11818.3, 0.00307324/step, 0.903532 hours remaining, 207.687500 MB of memory in use. ENERGY: 3941600 722.1615 2102.6575 1924.4704 109.4942 -206423.6108 17912.9686 0.0000 0.0000 34192.6483 -149459.2104 298.6129 -183651.8587 -149356.2824 298.6442 79.8666 109.5084 556284.6327 -3.1291 -3.1108 PRESSURE: 3941800 -86.486 -23.0608 232.611 -23.0616 -395.289 -73.7142 232.613 -73.7157 20.5482 GPRESSURE: 3941800 -50.5849 -36.6246 202.483 -9.74775 -310.124 -57.1116 145.597 -38.0394 3.52031 PRESSAVG: 3941800 -19.321 -9.05653 13.8566 -9.05661 6.49417 -35.3498 13.8566 -35.3498 -37.1874 GPRESSAVG: 3941800 -20.2201 -8.19461 13.2957 -8.68867 6.92702 -35.196 14.0543 -35.2363 -37.0854 TIMING: 3941800 CPU: 11819, 0.0030627/step Wall: 11819, 0.0030627/step, 0.900264 hours remaining, 207.687500 MB of memory in use. ENERGY: 3941800 761.6479 2109.7975 1941.9752 101.5360 -206125.7071 17626.4119 0.0000 0.0000 34222.9929 -149361.3457 298.8779 -183584.3386 -149266.6966 298.2962 -153.7421 -119.0627 557169.7554 -16.6714 -16.7929 PRESSURE: 3942000 -268.564 70.1696 30.4746 70.169 -144.143 255.758 30.474 255.757 251.372 GPRESSURE: 3942000 -242.746 55.2072 53.3635 74.3093 -102.565 242.215 29.2678 266.206 290.662 PRESSAVG: 3942000 -9.90169 -1.67187 -9.94015 -1.67193 16.4818 -8.84438 -9.94009 -8.84445 26.719 GPRESSAVG: 3942000 -10.074 -2.11101 -10.9611 -1.20599 16.2764 -11.1736 -10.2404 -6.49804 26.9473 TIMING: 3942000 CPU: 11819.6, 0.00305649/step Wall: 11819.6, 0.00305649/step, 0.898268 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: 3942000 731.1355 2109.8851 1945.3407 119.5655 -206327.5994 17843.8363 0.0000 0.0000 34214.8895 -149362.9469 298.8071 -183577.8364 -149266.4737 298.0600 -53.7783 -18.2164 557240.0250 11.0997 11.0499 PRESSURE: 3942200 -61.0752 49.3094 -86.9207 49.3073 27.5728 145.015 -86.921 145.016 -45.3954 GPRESSURE: 3942200 3.4528 -30.1661 -124.317 107.084 30.8971 99.5614 -49.596 123.11 -12.0155 PRESSAVG: 3942200 -73.9305 46.6192 -16.0209 46.6191 6.72292 44.2109 -16.021 44.2109 86.4872 GPRESSAVG: 3942200 -72.6724 46.7863 -16.5617 47.2083 6.7811 46.0191 -15.3358 41.1371 85.625 TIMING: 3942200 CPU: 11820.2, 0.00303275/step Wall: 11820.2, 0.00303275/step, 0.891123 hours remaining, 207.687500 MB of memory in use. ENERGY: 3942200 725.0907 2138.1957 1912.4179 118.8659 -205961.0686 17630.6795 0.0000 0.0000 34178.6893 -149257.1297 298.4910 -183435.8189 -149158.3596 299.0488 -26.2993 7.4448 556605.2534 6.4266 6.5779 PRESSURE: 3942400 131.563 -25.6536 106.61 -25.6529 36.3658 188.496 106.609 188.495 -107.646 GPRESSURE: 3942400 136.107 9.87943 111.588 -80.5384 90.9183 272.687 176.781 106.514 -68.5837 PRESSAVG: 3942400 -7.21323 27.3286 70.0237 27.3286 -16.9922 26.3189 70.0238 26.3191 0.73633 GPRESSAVG: 3942400 -7.51229 26.8094 69.9847 26.5461 -16.8416 23.5937 69.6434 27.7553 1.41487 TIMING: 3942400 CPU: 11820.8, 0.0030623/step Wall: 11820.8, 0.0030623/step, 0.899636 hours remaining, 207.687500 MB of memory in use. ENERGY: 3942400 730.6760 2143.5953 1946.9134 110.1755 -206646.5959 17916.0149 0.0000 0.0000 34454.2228 -149344.9980 300.8973 -183799.2208 -149248.1607 299.0320 20.0942 52.8138 556148.0870 -7.8230 -7.6463 PRESSURE: 3942600 -85.2041 -32.1842 -112.909 -32.1838 -262.629 -8.99107 -112.908 -8.99051 -271.389 GPRESSURE: 3942600 -81.7344 31.7146 -109.06 -21.8697 -213.812 -48.5152 -151.474 45.773 -225.617 PRESSAVG: 3942600 20.7812 -3.6545 26.6785 -3.65451 92.9429 33.6688 26.6786 33.6687 -64.1601 GPRESSAVG: 3942600 19.9764 -3.16693 28.8213 -3.2379 94.1737 36.7448 24.701 33.6361 -64.5421 TIMING: 3942600 CPU: 11821.4, 0.00304472/step Wall: 11821.4, 0.00304472/step, 0.894302 hours remaining, 207.687500 MB of memory in use. ENERGY: 3942600 728.4648 2155.5148 1962.5634 111.6226 -205699.4860 17274.6161 0.0000 0.0000 34097.4251 -149369.2792 297.7813 -183466.7043 -149272.8726 298.9014 -206.4075 -173.7213 557768.5869 16.5213 16.5360 PRESSURE: 3942800 -1.52859 8.17481 84.1695 8.17575 26.4624 28.0319 84.1697 28.0316 138.778 GPRESSURE: 3942800 62.6975 13.8944 49.4791 -81.6048 89.647 27.9687 39.8251 -65.3227 109.683 PRESSAVG: 3942800 -7.03129 5.22343 -8.02802 5.22339 42.5141 41.4379 -8.02802 41.4379 -59.9022 GPRESSAVG: 3942800 -6.14592 6.23739 -8.74546 4.6689 40.5544 41.6158 -6.14247 41.0151 -58.8352 TIMING: 3942800 CPU: 11822, 0.0030373/step Wall: 11822, 0.0030373/step, 0.891955 hours remaining, 207.687500 MB of memory in use. ENERGY: 3942800 749.2244 2118.8820 1952.5841 115.1179 -206398.8463 17971.0035 0.0000 0.0000 34138.7913 -149353.2431 298.1426 -183492.0344 -149258.8236 299.0940 54.5706 87.3425 557584.2565 -8.1398 -8.1422 PRESSURE: 3943000 162.397 -0.541557 17.4065 -0.541833 -28.7161 18.119 17.4065 18.1196 -274.016 GPRESSURE: 3943000 201.315 -3.38474 -37.0699 67.9371 -7.05406 -68.1761 66.401 95.1876 -232.385 PRESSAVG: 3943000 23.7163 19.7323 -14.6939 19.7324 15.5129 -19.2582 -14.6939 -19.2583 -48.9047 GPRESSAVG: 3943000 23.5693 20.2396 -13.4882 19.8797 16.2943 -18.5288 -15.0686 -19.2235 -49.6453 TIMING: 3943000 CPU: 11822.6, 0.00308217/step Wall: 11822.6, 0.00308217/step, 0.90496 hours remaining, 207.687500 MB of memory in use. ENERGY: 3943000 763.4602 2084.4508 1976.3301 116.7217 -206251.0028 17837.9996 0.0000 0.0000 34079.9455 -149392.0949 297.6286 -183472.0404 -149292.0833 298.9748 -46.7782 -12.7081 556618.8877 -3.2252 -3.2606 PRESSURE: 3943200 117.183 -150.48 -98.2354 -150.479 480.799 36.3572 -98.2363 36.3581 133.459 GPRESSURE: 3943200 178.417 -198.938 -132.142 -124.88 482.575 35.8009 -57.7888 -116.98 173.568 PRESSAVG: 3943200 48.1043 -0.876764 3.60174 -0.876742 -23.7242 -27.8441 3.60171 -27.8439 -23.1502 GPRESSAVG: 3943200 48.3854 -1.00621 0.475539 -0.820515 -23.758 -30.0903 5.01802 -27.1203 -22.8552 TIMING: 3943200 CPU: 11823.2, 0.00306688/step Wall: 11823.2, 0.00306688/step, 0.900301 hours remaining, 207.824219 MB of memory in use. ENERGY: 3943200 755.2942 2101.6947 1902.9598 104.8742 -206565.4747 18089.7318 0.0000 0.0000 34151.0355 -149459.8846 298.2495 -183610.9201 -149368.8796 298.0748 243.8135 278.1865 555592.4003 0.4100 0.5907 PRESSURE: 3943400 -62.0643 -193.016 29.3289 -193.015 -126.156 -61.3733 29.3277 -61.3744 124.05 GPRESSURE: 3943400 10.563 -264.916 -16.3789 -83.1411 -98.9739 -84.3806 10.508 -71.9615 113.636 PRESSAVG: 3943400 38.1369 34.2093 -32.9163 34.2093 -63.5836 6.18229 -32.9163 6.18216 -27.2556 GPRESSAVG: 3943400 37.7038 32.9878 -29.4224 35.9135 -63.3135 6.54818 -34.2218 7.20754 -27.7071 TIMING: 3943400 CPU: 11823.9, 0.00310251/step Wall: 11823.9, 0.00310251/step, 0.910587 hours remaining, 207.824219 MB of memory in use. ENERGY: 3943400 772.6486 2091.9087 1914.7780 110.6674 -206046.9848 17752.0989 0.0000 0.0000 34219.2572 -149185.6259 298.8453 -183404.8832 -149087.8501 298.7172 -21.3899 8.4083 556169.1300 -17.5674 -17.7723 PRESSURE: 3943600 173.614 57.9707 93.681 57.971 75.4509 27.5682 93.6804 27.5691 24.0713 GPRESSURE: 3943600 207.203 72.3485 131.085 34.1346 152.238 -46.5895 55.6783 70.309 17.4299 PRESSAVG: 3943600 38.2136 7.94132 -3.70578 7.94134 7.05137 -31.6916 -3.70579 -31.6916 -47.6313 GPRESSAVG: 3943600 38.9773 8.47795 -4.73916 6.63229 7.31154 -32.1471 -3.9727 -31.8009 -47.6114 TIMING: 3943600 CPU: 11824.5, 0.00311935/step Wall: 11824.5, 0.00311935/step, 0.915355 hours remaining, 207.824219 MB of memory in use. ENERGY: 3943600 752.4781 2175.5405 1949.7008 110.9018 -206141.6275 18034.7539 0.0000 0.0000 34116.6135 -149001.6388 297.9489 -183118.2523 -148910.8367 299.2170 91.0455 125.6237 558199.6296 -0.7887 -0.4408 PRESSURE: 3943800 133.292 -53.7536 62.3197 -53.7544 246.423 -37.8882 62.3209 -37.8871 174.896 GPRESSURE: 3943800 252.752 -100.14 18.3021 -90.2547 221.227 40.608 86.1584 -82.8815 158.7 PRESSAVG: 3943800 99.9274 22.0446 -17.5337 22.0445 -28.1787 -25.8627 -17.5336 -25.8626 -65.4762 GPRESSAVG: 3943800 99.8686 20.8783 -18.8013 22.2217 -28.4968 -23.953 -17.5137 -28.5468 -64.3178 TIMING: 3943800 CPU: 11825.1, 0.00310727/step Wall: 11825.1, 0.00310728/step, 0.91164 hours remaining, 207.824219 MB of memory in use. ENERGY: 3943800 751.4373 2066.9169 1929.8011 105.7128 -206318.6663 18070.9971 0.0000 0.0000 34541.9465 -148851.8546 301.6634 -183393.8010 -148748.3449 299.6267 184.8701 210.8933 556866.7691 2.0909 2.3513 PRESSURE: 3944000 -258.028 -39.0504 19.92 -39.0501 -19.3794 195.534 19.9195 195.533 76.0978 GPRESSURE: 3944000 -228.802 -2.71194 -48.6632 -51.4437 35.243 160.093 2.76262 177.709 74.4493 PRESSAVG: 3944000 37.5164 0.422718 45.7558 0.422721 -9.96364 42.3169 45.7558 42.3169 -46.5035 GPRESSAVG: 3944000 37.5912 1.23159 43.5857 1.5439 -9.81397 41.3278 47.6486 42.9307 -46.6548 TIMING: 3944000 CPU: 11825.7, 0.00308648/step Wall: 11825.7, 0.00308648/step, 0.905368 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: 3944000 769.6990 2086.8085 1929.3931 106.2757 -206128.0564 17865.3744 0.0000 0.0000 34498.5181 -148871.9876 301.2841 -183370.5058 -148768.9374 301.1226 -67.1032 -39.7031 558492.9886 -6.3169 -6.2925 PRESSURE: 3944200 -62.1003 36.7638 91.3378 36.7637 206.319 -51.0604 91.3368 -51.0601 -222.727 GPRESSURE: 3944200 9.88829 56.2853 163.075 81.5337 227.136 -78.1244 48.1148 -56.7933 -223.011 PRESSAVG: 3944200 -12.6337 -27.4594 0.691087 -27.4594 60.6188 48.6466 0.691098 48.6465 -78.0329 GPRESSAVG: 3944200 -12.1669 -27.6185 4.67154 -27.3143 59.6531 48.0071 -1.40284 50.5687 -77.5915 TIMING: 3944200 CPU: 11826.3, 0.00305914/step Wall: 11826.3, 0.00305914/step, 0.897177 hours remaining, 207.824219 MB of memory in use. ENERGY: 3944200 757.2506 2078.9195 1946.1491 119.1893 -206184.5419 17851.2604 0.0000 0.0000 34526.3621 -148905.4109 301.5273 -183431.7730 -148810.1424 300.1072 -26.1695 4.6711 558219.0754 -10.0159 -10.0351 LDB: ============= START OF LOAD BALANCING ============== 11829.8 LDB: ============== END OF LOAD BALANCING =============== 11829.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11829.8 LDB: ============= START OF LOAD BALANCING ============== 11830.1 LDB: Largest compute 4820 load 0.022658 is 19.2% of average load 0.118107 LDB: Average compute 0.001729 is 1.5% of average load 0.118107 LDB: TIME 11830.1 LOAD: AVG 0.118107 MAX 0.218798 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.742 MB LDB: TIME 11830.1 LOAD: AVG 0.118107 MAX 0.218798 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.746 MB LDB: TIME 11830.1 LOAD: AVG 0.118107 MAX 0.218798 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.746 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11830.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11830.1 PRESSURE: 3944400 145.169 7.28326 13.8847 7.2838 -86.8261 31.988 13.8846 31.9893 -59.672 GPRESSURE: 3944400 196.159 -19.6705 38.3419 -35.2706 -88.173 -39.1429 -0.998058 13.9247 -5.47394 PRESSAVG: 3944400 -36.0809 -37.8014 -14.8776 -37.8015 29.4287 37.7808 -14.8776 37.7809 -32.2749 GPRESSAVG: 3944400 -36.5876 -37.1869 -18.688 -39.1701 30.4348 36.9596 -12.3385 36.2079 -32.8552 TIMING: 3944400 CPU: 11827, 0.00312539/step Wall: 11827, 0.00312539/step, 0.916434 hours remaining, 206.000000 MB of memory in use. ENERGY: 3944400 710.3466 2123.2923 1935.2136 106.3700 -205807.7577 17702.6494 0.0000 0.0000 34224.0085 -149005.8773 298.8868 -183229.8857 -148902.9689 299.7390 -0.4430 34.1705 558537.7406 -12.9757 -13.0027 PRESSURE: 3944600 65.2681 -49.2936 88.2865 -49.2938 -40.2926 171.608 88.2878 171.61 -193.752 GPRESSURE: 3944600 80.3611 -14.2746 139.745 -101.814 -47.7331 217.962 40.3608 160.198 -105.599 PRESSAVG: 3944600 -4.62235 -24.3528 -5.20321 -24.3527 17.8577 44.2702 -5.20317 44.2702 -24.3723 GPRESSAVG: 3944600 -4.53064 -22.4301 -4.31691 -24.1635 17.5128 47.3926 -9.01732 43.5347 -24.3817 TIMING: 3944600 CPU: 11827.6, 0.00304597/step Wall: 11827.6, 0.00304597/step, 0.892977 hours remaining, 206.000000 MB of memory in use. ENERGY: 3944600 740.7610 2069.9440 1950.6804 114.2590 -205795.4382 17515.4432 0.0000 0.0000 34217.2628 -149187.0877 298.8279 -183404.3505 -149087.1954 298.6127 -56.2587 -24.3235 558542.0114 -3.7123 -3.7999 PRESSURE: 3944800 -66.6804 116.36 -9.28254 116.361 260.806 -240.356 -9.28234 -240.357 191.86 GPRESSURE: 3944800 10.2772 88.932 -5.77402 41.9666 243.488 -127.433 -78.603 -183.239 216.445 PRESSAVG: 3944800 13.6582 49.0463 18.6172 49.0463 12.9268 48.7318 18.6172 48.732 -29.3527 GPRESSAVG: 3944800 15.1493 47.115 17.4658 48.4917 13.0701 48.9176 22.2357 47.2706 -30.4546 TIMING: 3944800 CPU: 11828.2, 0.00304409/step Wall: 11828.2, 0.00304409/step, 0.892256 hours remaining, 206.000000 MB of memory in use. ENERGY: 3944800 723.8111 2001.4978 1948.3820 118.0328 -206025.8142 17781.6200 0.0000 0.0000 34021.1762 -149431.2942 297.1154 -183452.4704 -149331.7011 298.8374 128.6617 156.7367 557396.0603 -0.9226 -0.7451 PRESSURE: 3945000 0.108808 17.7614 126.194 17.763 -22.0378 -129.323 126.194 -129.324 -79.3795 GPRESSURE: 3945000 -27.1583 -96.2274 175.133 27.3637 102.685 -106.88 94.5125 -53.4301 -84.5532 PRESSAVG: 3945000 5.24545 -3.57532 14.9683 -3.57531 -6.92333 0.461281 14.9682 0.46142 -44.4845 GPRESSAVG: 3945000 4.74197 -4.4864 16.9332 -2.06971 -7.03415 1.27639 12.5781 1.09231 -43.9853 TIMING: 3945000 CPU: 11828.8, 0.00303817/step Wall: 11828.8, 0.00303817/step, 0.890353 hours remaining, 206.000000 MB of memory in use. ENERGY: 3945000 739.9109 2060.7754 1958.2367 109.1526 -206659.6253 17955.3092 0.0000 0.0000 34453.1598 -149383.0806 300.8880 -183836.2404 -149284.3578 298.9339 -33.7695 -3.0089 557490.8623 -15.3874 -15.4258 PRESSURE: 3945200 51.3071 205.201 -12.5459 205.201 11.4657 -39.9521 -12.5459 -39.9512 86.8227 GPRESSURE: 3945200 89.6107 149.127 -67.4175 130.49 15.4764 -3.54288 81.5905 18.6032 157.438 PRESSAVG: 3945200 -43.876 9.94141 -6.39933 9.94141 -15.131 -17.3996 -6.39932 -17.3995 57.6903 GPRESSAVG: 3945200 -43.8155 10.9444 -6.22794 8.75889 -14.3728 -19.2287 -4.18414 -15.5113 57.3881 TIMING: 3945200 CPU: 11829.4, 0.00305313/step Wall: 11829.4, 0.00305313/step, 0.894568 hours remaining, 206.000000 MB of memory in use. ENERGY: 3945200 720.2233 2037.8224 1943.9594 120.1937 -206327.8672 17981.6543 0.0000 0.0000 34281.6491 -149242.3649 299.3902 -183524.0140 -149142.8730 298.7245 49.8652 87.5084 557011.8960 -0.4389 -0.2667 PRESSURE: 3945400 48.6827 -261.028 -7.76184 -261.029 -107.452 -56.801 -7.76204 -56.8003 -84.7284 GPRESSURE: 3945400 47.9577 -352.989 -39.8597 -187.073 -56.1281 -82.7762 36.8784 -52.3961 -46.7754 PRESSAVG: 3945400 41.9737 -14.3931 -36.0907 -14.393 1.31358 24.6104 -36.0907 24.6105 -34.8041 GPRESSAVG: 3945400 41.2108 -15.46 -35.965 -13.697 0.869663 25.8169 -37.1255 23.1882 -32.9197 TIMING: 3945400 CPU: 11830, 0.00307495/step Wall: 11830, 0.00307495/step, 0.900789 hours remaining, 206.070312 MB of memory in use. ENERGY: 3945400 706.2901 2101.2650 1976.5530 114.3993 -206109.0231 17658.6232 0.0000 0.0000 34308.0913 -149243.8012 299.6211 -183551.8925 -149140.5764 298.8312 -47.8325 -18.3153 558225.1333 2.8277 3.0536 PRESSURE: 3945600 -34.9339 -4.10635 153.084 -4.10709 135.005 -151.699 153.084 -151.701 97.598 GPRESSURE: 3945600 21.0371 31.7576 298.065 -11.1494 157.01 -123.001 33.0429 -155.347 106.745 PRESSAVG: 3945600 -26.8873 -15.6947 26.4236 -15.6945 5.37982 -18.7986 26.4237 -18.7987 29.1668 GPRESSAVG: 3945600 -25.3971 -15.115 25.8095 -14.5966 5.43914 -18.7008 26.117 -20.2446 27.5591 TIMING: 3945600 CPU: 11830.6, 0.00304838/step Wall: 11830.6, 0.00304838/step, 0.892838 hours remaining, 206.070312 MB of memory in use. ENERGY: 3945600 726.8426 2083.1075 1940.8980 108.2387 -206352.9613 17897.6345 0.0000 0.0000 34317.5809 -149278.6590 299.7040 -183596.2399 -149191.2394 298.9253 65.8897 94.9306 558525.5592 2.5531 2.5337 PRESSURE: 3945800 107.743 4.55378 25.7398 4.55455 33.4808 -163.633 25.7395 -163.632 172.407 GPRESSURE: 3945800 130.161 42.2914 17.0616 -53.5688 48.2884 -131.741 1.61875 -203.24 225.034 PRESSAVG: 3945800 -66.4759 -15.3747 -19.5585 -15.3747 47.9487 -11.5311 -19.5586 -11.5312 53.8701 GPRESSAVG: 3945800 -66.6275 -14.2528 -20.789 -16.2546 48.1377 -11.7619 -18.2705 -9.78378 53.7136 TIMING: 3945800 CPU: 11831.2, 0.00310664/step Wall: 11831.2, 0.00310664/step, 0.909728 hours remaining, 206.070312 MB of memory in use. ENERGY: 3945800 730.5209 2095.2800 1936.1313 104.1551 -206215.7686 17785.6388 0.0000 0.0000 34073.6816 -149490.3610 297.5739 -183564.0426 -149391.2773 298.7763 104.5434 134.4945 557987.8318 11.7810 11.7413 PRESSURE: 3946000 115.002 -22.7498 6.80846 -22.7502 -101.038 16.8755 6.80874 16.8747 148.179 GPRESSURE: 3946000 107.515 -72.7013 35.0763 -56.5026 -81.3623 32.1394 -13.0263 13.412 231.453 PRESSAVG: 3946000 11.4803 19.278 7.71168 19.2781 20.1141 -8.51161 7.71177 -8.51169 -30.7728 GPRESSAVG: 3946000 11.8315 19.2457 9.47911 18.399 19.4251 -6.7586 4.75393 -8.44652 -29.9558 TIMING: 3946000 CPU: 11831.9, 0.00311683/step Wall: 11831.9, 0.00311683/step, 0.912538 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: 3946000 750.7590 2099.1747 1936.1296 102.7602 -206345.6593 17994.7373 0.0000 0.0000 34058.2396 -149403.8589 297.4391 -183462.0984 -149313.1400 298.9103 54.0475 85.8683 558092.6969 0.2738 0.4336 PRESSURE: 3946200 66.3752 26.9491 14.4255 26.9491 64.122 -63.0364 14.425 -63.036 141.763 GPRESSURE: 3946200 93.884 -10.2212 91.3463 -32.2471 122.154 -168.475 65.7931 46.0871 153.372 PRESSAVG: 3946200 9.29283 41.1848 45.5493 41.1848 -5.95001 -47.2103 45.5494 -47.2103 0.665309 GPRESSAVG: 3946200 9.17499 42.5856 46.3337 41.1999 -4.53945 -49.1589 47.2351 -46.3822 0.126213 TIMING: 3946200 CPU: 11832.5, 0.00307968/step Wall: 11832.5, 0.00307968/step, 0.901491 hours remaining, 206.070312 MB of memory in use. ENERGY: 3946200 739.6777 2065.3832 1945.6365 103.3139 -206585.7283 17977.0256 0.0000 0.0000 34150.9913 -149603.7001 298.2491 -183754.6915 -149504.5070 298.2586 90.7533 123.1365 556386.2728 1.3360 1.5872 PRESSURE: 3946400 -37.1261 -23.331 73.0105 -23.3301 -172.434 -68.8388 73.0096 -68.8398 282.34 GPRESSURE: 3946400 -1.4557 -94.3546 73.8997 32.5164 -135.844 -105.268 17.0479 -120.491 305.257 PRESSAVG: 3946400 14.809 3.83189 58.7127 3.83191 -49.558 -23.9479 58.7127 -23.9481 19.3749 GPRESSAVG: 3946400 16.0462 1.97342 56.149 4.25947 -50.0724 -24.3096 59.3584 -24.2724 18.9578 TIMING: 3946400 CPU: 11833.1, 0.00306699/step Wall: 11833.1, 0.00306699/step, 0.897607 hours remaining, 206.070312 MB of memory in use. ENERGY: 3946400 731.3903 2139.6133 1939.5681 111.3548 -206523.2832 17902.8444 0.0000 0.0000 34279.6727 -149418.8395 299.3729 -183698.5123 -149333.1382 298.9332 24.2600 55.9858 558101.0377 -5.1247 -5.0228 PRESSURE: 3946600 73.2711 47.9569 20.4677 47.9556 296.991 -10.0749 20.4666 -10.0731 289.522 GPRESSURE: 3946600 155.912 16.8663 5.8896 -38.4675 263.815 -103.171 -2.77504 82.9966 355.286 PRESSAVG: 3946600 -47.2976 56.0387 -27.3401 56.0386 -49.5416 4.76705 -27.3401 4.76694 65.3042 GPRESSAVG: 3946600 -47.6591 56.806 -26.6991 53.8361 -49.3522 3.24436 -26.6361 5.26282 65.401 TIMING: 3946600 CPU: 11833.7, 0.00310297/step Wall: 11833.7, 0.00310297/step, 0.907964 hours remaining, 206.070312 MB of memory in use. ENERGY: 3946600 724.2196 2056.5710 1961.6085 101.3750 -206516.3098 18055.5188 0.0000 0.0000 34116.4076 -149500.6092 297.9471 -183617.0168 -149396.5097 298.6216 219.9278 258.3378 556273.4626 -10.5117 -10.5368 PRESSURE: 3946800 -129.613 144.331 -59.7967 144.33 -201.181 6.03309 -59.7961 6.03241 -45.6924 GPRESSURE: 3946800 -115.987 146.718 -87.4774 176.541 -165.579 1.56565 -40.1398 -94.6285 4.25202 PRESSAVG: 3946800 -45.0208 55.9987 6.96481 55.9987 -27.6537 35.9017 6.96489 35.9016 23.5351 GPRESSAVG: 3946800 -45.452 54.041 4.96577 57.8449 -28.3189 35.8227 5.61701 38.5038 24.0321 TIMING: 3946800 CPU: 11834.3, 0.0030943/step Wall: 11834.3, 0.0030943/step, 0.905256 hours remaining, 206.070312 MB of memory in use. ENERGY: 3946800 753.9114 2092.4422 1923.4202 114.3374 -206786.8208 17904.1735 0.0000 0.0000 34386.9331 -149611.6030 300.3096 -183998.5362 -149516.8717 298.4899 -125.4954 -92.4380 556458.0888 -16.3798 -16.5796 PRESSURE: 3947000 269.653 18.6601 73.3003 18.6607 273.885 -96.1111 73.3015 -96.1112 134.193 GPRESSURE: 3947000 317.628 -31.6708 164.451 22.5285 247.133 -71.3742 114.044 -36.0876 218.812 PRESSAVG: 3947000 11.7294 18.488 31.1248 18.488 -25.7477 -29.5029 31.1248 -29.5029 37.1559 GPRESSAVG: 3947000 12.0906 19.0495 33.454 19.2228 -26.1818 -28.1464 31.054 -31.9354 37.0338 TIMING: 3947000 CPU: 11835, 0.00309747/step Wall: 11835, 0.00309747/step, 0.906011 hours remaining, 206.070312 MB of memory in use. ENERGY: 3947000 723.3066 2139.6321 1938.7463 101.8268 -206727.8388 18096.1377 0.0000 0.0000 34172.9641 -149555.2252 298.4410 -183728.1892 -149461.0836 298.9639 225.9106 261.1911 555945.0337 7.7125 7.6475 PRESSURE: 3947200 81.4371 16.3805 19.635 16.3805 126.964 -13.4259 19.636 -13.4258 82.628 GPRESSURE: 3947200 98.0426 107.939 -36.211 32.4777 173.688 -57.6774 -6.29361 126.695 115.832 PRESSAVG: 3947200 -36.1832 5.23798 9.90169 5.23801 10.5809 26.0066 9.90165 26.0067 20.6423 GPRESSAVG: 3947200 -36.6019 4.45539 10.3821 4.71688 10.9636 27.1461 11.9703 24.9483 20.5426 TIMING: 3947200 CPU: 11835.6, 0.00309983/step Wall: 11835.6, 0.00309983/step, 0.906528 hours remaining, 206.070312 MB of memory in use. ENERGY: 3947200 758.1981 2050.6803 1947.6241 118.6281 -206900.9036 18217.3583 0.0000 0.0000 34309.1641 -149499.2506 299.6305 -183808.4147 -149407.7337 298.8724 97.0097 129.1876 557682.1717 -1.6533 -1.6986 PRESSURE: 3947400 -164.882 -177.682 49.3934 -177.683 -197.956 -91.5939 49.3937 -91.5935 -436.62 GPRESSURE: 3947400 -151.873 -175.098 -4.57548 -249.423 -130.757 -71.8308 32.6141 -79.2451 -419.183 PRESSAVG: 3947400 -35.4059 -28.3501 -31.6133 -28.3502 8.258 -25.6058 -31.6135 -25.6057 30.6848 GPRESSAVG: 3947400 -35.1711 -26.8624 -33.6977 -30.2855 8.72012 -26.8983 -33.1259 -26.2924 29.6863 TIMING: 3947400 CPU: 11836.2, 0.00307321/step Wall: 11836.2, 0.00307321/step, 0.898573 hours remaining, 206.070312 MB of memory in use. ENERGY: 3947400 779.3951 2045.5521 1941.5690 123.1934 -205811.1333 17522.6733 0.0000 0.0000 34016.4525 -149382.2979 297.0741 -183398.7504 -149292.5628 298.9917 -266.4859 -233.9376 560352.1104 1.1790 1.0785 PRESSURE: 3947600 -140.358 -149.94 97.8869 -149.94 -106.487 44.9422 97.8867 44.9427 89.2243 GPRESSURE: 3947600 -111.482 -204.217 86.6452 -20.8012 -38.3435 46.893 78.315 122.221 104.434 PRESSAVG: 3947600 15.5458 -73.0346 -14.0373 -73.0346 41.3219 32.223 -14.0372 32.2229 -26.5808 GPRESSAVG: 3947600 15.1259 -74.0162 -13.1455 -69.0939 40.1551 34.4802 -14.1439 32.5814 -25.6429 TIMING: 3947600 CPU: 11836.8, 0.00305469/step Wall: 11836.8, 0.00305469/step, 0.892988 hours remaining, 206.070312 MB of memory in use. ENERGY: 3947600 754.9289 2117.2107 1930.4952 122.2734 -206513.3147 17848.1435 0.0000 0.0000 34211.4150 -149528.8482 298.7768 -183740.2631 -149434.4271 298.3585 -52.5403 -15.1307 557886.9371 10.0956 9.8794 PRESSURE: 3947800 94.2327 -78.2228 81.194 -78.2225 -22.3298 137.256 81.1943 137.256 55.2687 GPRESSURE: 3947800 172.929 -168.37 129.395 33.2624 27.7473 137.477 32.8053 44.8247 21.9926 PRESSAVG: 3947800 -28.4338 -50.6328 43.591 -50.6328 -6.53431 -11.0755 43.591 -11.0756 39.182 GPRESSAVG: 3947800 -27.9048 -50.4241 44.4109 -52.6107 -7.42809 -13.2543 41.6768 -10.6893 39.2826 TIMING: 3947800 CPU: 11837.4, 0.00307512/step Wall: 11837.4, 0.00307512/step, 0.89879 hours remaining, 206.070312 MB of memory in use. ENERGY: 3947800 728.3671 2072.4428 1963.5054 109.5637 -206334.3597 17824.1561 0.0000 0.0000 34108.8678 -149527.4568 297.8812 -183636.3246 -149426.3890 298.7768 42.3905 74.2229 557394.5673 1.4046 1.3166 PRESSURE: 3948000 -52.9785 -1.54496 -57.8198 -1.54439 47.7782 111.849 -57.8189 111.847 -82.8003 GPRESSURE: 3948000 -21.2693 -0.325604 -25.3423 110.643 47.1644 25.0261 -114.932 170.952 -23.9632 PRESSAVG: 3948000 10.5088 -13.6792 -2.20379 -13.6792 1.43299 15.098 -2.20377 15.0981 6.80712 GPRESSAVG: 3948000 10.9372 -13.3543 -1.97675 -13.5892 2.42137 15.3836 0.501263 14.6396 5.71137 TIMING: 3948000 CPU: 11838, 0.00307309/step Wall: 11838, 0.00307309/step, 0.898024 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: 3948000 704.5743 2046.3407 1964.5916 115.8111 -206230.8615 17788.1939 0.0000 0.0000 34100.0620 -149511.2880 297.8043 -183611.3500 -149417.5307 298.3659 -29.3336 0.6440 557082.5634 6.2496 6.3567 PRESSURE: 3948200 64.5877 28.5385 -211.775 28.5392 -154.908 157.393 -211.774 157.392 -146.451 GPRESSURE: 3948200 61.0949 52.5238 -170.908 65.437 -123.579 93.0659 -208.55 155.659 -86.5257 PRESSAVG: 3948200 1.61021 8.24817 2.90039 8.24812 -6.19621 16.4165 2.90047 16.4165 -48.7346 GPRESSAVG: 3948200 0.939547 9.35642 2.82628 7.95605 -6.86374 16.8686 2.41859 16.8353 -47.6717 TIMING: 3948200 CPU: 11838.6, 0.00307351/step Wall: 11838.6, 0.00307351/step, 0.897976 hours remaining, 206.070312 MB of memory in use. ENERGY: 3948200 736.7762 2123.9488 1928.8485 128.6483 -206305.7591 17695.9620 0.0000 0.0000 34223.5812 -149467.9942 298.8830 -183691.5754 -149370.2627 298.5303 -78.9238 -49.6698 557039.3549 -17.7735 -17.8653 LDB: ============= START OF LOAD BALANCING ============== 11842.1 LDB: ============== END OF LOAD BALANCING =============== 11842.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11842.1 LDB: ============= START OF LOAD BALANCING ============== 11842.4 LDB: Largest compute 4822 load 0.023427 is 19.8% of average load 0.118151 LDB: Average compute 0.001729 is 1.5% of average load 0.118151 LDB: TIME 11842.4 LOAD: AVG 0.118151 MAX 0.219761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.312 MB LDB: TIME 11842.4 LOAD: AVG 0.118151 MAX 0.219761 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.312 MB LDB: TIME 11842.4 LOAD: AVG 0.118151 MAX 0.219761 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.312 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11842.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11842.4 PRESSURE: 3948400 -56.9099 275.338 -28.9482 275.338 157.378 87.4578 -28.947 87.4577 -69.9045 GPRESSURE: 3948400 -40.916 321.214 -112.294 202.483 221.823 63.7033 57.6172 80.7246 -55.0181 PRESSAVG: 3948400 17.3121 28.4943 -24.4059 28.4943 -19.0494 54.8559 -24.4059 54.856 1.82956 GPRESSAVG: 3948400 16.6816 26.2824 -25.7194 27.4627 -18.4912 53.2021 -24.0862 54.6617 1.64603 TIMING: 3948400 CPU: 11839.3, 0.00314468/step Wall: 11839.3, 0.00314468/step, 0.918596 hours remaining, 205.945312 MB of memory in use. ENERGY: 3948400 701.5565 2062.9588 1978.1206 108.8043 -206572.4180 17941.3204 0.0000 0.0000 34225.4334 -149554.2240 298.8992 -183779.6574 -149462.4854 298.2353 10.1878 41.9631 557018.5137 0.0308 -0.0545 PRESSURE: 3948600 29.3289 22.8781 15.1668 22.8781 105.774 -108.035 15.1667 -108.033 135.532 GPRESSURE: 3948600 32.4554 42.628 64.7332 -7.74487 114.084 -14.2642 -15.1186 -132.543 206.782 PRESSAVG: 3948600 27.2237 4.47232 -7.20387 4.47232 33.4987 21.525 -7.2039 21.5249 -25.5087 GPRESSAVG: 3948600 27.1472 5.49641 -7.40558 5.07162 32.9843 24.465 -7.17806 20.2304 -25.0236 TIMING: 3948600 CPU: 11839.9, 0.0030974/step Wall: 11839.9, 0.0030974/step, 0.904612 hours remaining, 206.269531 MB of memory in use. ENERGY: 3948600 705.5998 2102.4845 1983.9491 103.4500 -206779.4053 18057.8965 0.0000 0.0000 34201.3225 -149624.7027 298.6887 -183826.0253 -149530.6021 297.5401 90.2115 117.7736 556731.1050 11.7379 11.7027 PRESSURE: 3948800 -89.048 -13.7568 -101.585 -13.7556 -6.20964 -106.653 -101.584 -106.655 -212.802 GPRESSURE: 3948800 -82.1875 -4.47612 -90.1385 -30.625 68.6999 -145.058 -93.0332 -69.3388 -193.697 PRESSAVG: 3948800 83.9085 5.99885 24.8625 5.99889 -50.3801 -13.832 24.8626 -13.8321 -7.4229 GPRESSAVG: 3948800 84.2292 5.65438 24.7254 3.52372 -50.3622 -13.7883 22.49 -11.9666 -7.7725 TIMING: 3948800 CPU: 11840.5, 0.0030528/step Wall: 11840.5, 0.0030528/step, 0.891419 hours remaining, 206.269531 MB of memory in use. ENERGY: 3948800 753.5308 2058.5223 1926.4204 116.5130 -206268.0699 17736.6584 0.0000 0.0000 34281.0841 -149395.3408 299.3852 -183676.4249 -149297.9655 298.2944 -102.6864 -69.0614 559697.9669 8.7018 8.6982 PRESSURE: 3949000 133.116 -252.649 44.5588 -252.649 -196.032 142.739 44.5593 142.738 258.478 GPRESSURE: 3949000 100.734 -193.104 87.0161 -269.322 -100.988 173.101 -39.0977 147.147 284.999 PRESSAVG: 3949000 6.9381 -44.6258 37.8557 -44.6257 -24.1333 43.1429 37.8557 43.143 57.4204 GPRESSAVG: 3949000 7.77765 -44.9767 39.8469 -42.3844 -23.7224 39.6484 38.372 44.9961 56.6294 TIMING: 3949000 CPU: 11841.1, 0.0030305/step Wall: 11841.1, 0.0030305/step, 0.884738 hours remaining, 206.269531 MB of memory in use. ENERGY: 3949000 733.5702 2114.3816 1935.3460 97.3135 -206404.5539 18021.9459 0.0000 0.0000 34125.7119 -149376.2849 298.0283 -183501.9968 -149276.6384 298.1611 65.1876 94.9151 558085.1241 13.4084 13.5615 PRESSURE: 3949200 -87.7869 -237.895 74.0795 -237.895 30.194 -0.82795 74.0788 -0.82904 122.598 GPRESSURE: 3949200 -114.663 -248.473 121.684 -237.123 92.0457 27.7101 37.6342 -15.1299 173.298 PRESSAVG: 3949200 -11.1117 16.5827 54.9366 16.5827 18.6822 36.8833 54.9366 36.8834 2.03886 GPRESSAVG: 3949200 -11.9166 18.9502 54.9297 15.3552 19.5772 39.323 55.7009 34.3294 1.93227 TIMING: 3949200 CPU: 11841.7, 0.0030352/step Wall: 11841.7, 0.0030352/step, 0.885941 hours remaining, 206.269531 MB of memory in use. ENERGY: 3949200 697.6886 2142.5895 1960.3108 119.0197 -206786.9467 18105.8025 0.0000 0.0000 34261.0244 -149500.5112 299.2100 -183761.5357 -149407.4752 298.7043 21.6684 50.2269 558308.6052 3.2031 3.1976 PRESSURE: 3949400 -31.2935 32.7939 -9.33818 32.7943 89.3359 -47.0262 -9.33878 -47.0269 -180.477 GPRESSURE: 3949400 -21.9438 48.1682 48.4322 -0.109718 158.859 -76.1443 -74.2452 -43.7404 -163.136 PRESSAVG: 3949400 -41.9549 -7.53064 5.76515 -7.53067 28.5184 18.8043 5.76522 18.8044 18.6347 GPRESSAVG: 3949400 -41.3383 -10.8981 4.82396 -4.64682 27.8556 16.7631 6.7976 21.5557 19.0299 TIMING: 3949400 CPU: 11842.3, 0.00301829/step Wall: 11842.3, 0.00301829/step, 0.880838 hours remaining, 206.269531 MB of memory in use. ENERGY: 3949400 717.7434 2092.0762 1942.9408 120.6204 -206661.0195 17938.4571 0.0000 0.0000 34350.1845 -149498.9971 299.9887 -183849.1816 -149398.8283 299.1018 -40.8116 -8.7403 556979.3842 1.7328 1.8491 PRESSURE: 3949600 296.592 70.7722 -65.514 70.7723 105.756 131.586 -65.5127 131.587 110.208 GPRESSURE: 3949600 288.685 94.6685 -76.7089 28.8532 166.33 117.367 -85.8641 55.8432 151.171 PRESSAVG: 3949600 28.5771 29.8373 -94.7063 29.8372 79.9246 13.1278 -94.7062 13.1277 -45.6606 GPRESSAVG: 3949600 29.232 32.6293 -95.8514 27.6195 79.9797 17.0485 -95.1527 9.6199 -47.0112 TIMING: 3949600 CPU: 11842.9, 0.00304952/step Wall: 11842.9, 0.00304952/step, 0.889782 hours remaining, 206.269531 MB of memory in use. ENERGY: 3949600 741.1146 2130.7888 1935.3436 118.7450 -206643.1312 17958.7048 0.0000 0.0000 34220.7627 -149537.6715 298.8584 -183758.4343 -149444.8413 298.4824 170.8516 202.0620 555541.6573 20.9470 20.7335 PRESSURE: 3949800 -38.4801 -139.544 26.8013 -139.547 -199.79 -203.347 26.8006 -203.347 -284.385 GPRESSURE: 3949800 23.7633 -148.729 109.606 -76.1287 -150.413 -234.884 -0.170499 -185.939 -299.879 PRESSAVG: 3949800 3.49071 -32.8643 -45.0392 -32.8643 -46.0843 22.9168 -45.0391 22.917 37.3635 GPRESSAVG: 3949800 2.12236 -34.1761 -43.8571 -32.2713 -46.6641 21.5562 -45.7428 22.9212 38.5199 TIMING: 3949800 CPU: 11843.5, 0.00303623/step Wall: 11843.5, 0.00303623/step, 0.885735 hours remaining, 206.269531 MB of memory in use. ENERGY: 3949800 731.1455 2097.2991 1947.6615 110.4079 -206376.7626 17655.0006 0.0000 0.0000 34374.3462 -149460.9019 300.1997 -183835.2480 -149369.5444 298.3684 -174.2183 -142.1762 556796.4670 -1.7434 -2.0073 PRESSURE: 3950000 46.4567 130.146 -107.961 130.147 23.7094 -137.553 -107.96 -137.552 42.9768 GPRESSURE: 3950000 39.7213 87.1456 -152.146 90.6329 81.6052 -143.203 -136.702 -135.466 88.6515 PRESSAVG: 3950000 12.2957 -28.3891 -111.964 -28.3889 30.0823 -22.7318 -111.964 -22.7319 -14.5033 GPRESSAVG: 3950000 12.6619 -28.8143 -112.34 -28.7107 29.8315 -23.716 -110.894 -20.7665 -14.6584 TIMING: 3950000 CPU: 11844.1, 0.00305097/step Wall: 11844.1, 0.00305098/step, 0.889868 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: 3950000 715.0836 2040.9541 1946.2325 129.3381 -206811.3788 17946.4240 0.0000 0.0000 34473.3571 -149559.9894 301.0644 -184033.3465 -149467.6334 299.0833 37.7143 69.9927 557146.7975 9.2916 9.2783 PRESSURE: 3950200 -177.282 95.6931 55.7633 95.6912 -137.127 -121.1 55.764 -121.102 -8.56997 GPRESSURE: 3950200 -174.653 185.951 122.19 44.4406 -138.766 -123.92 33.8449 -93.8119 84.8965 PRESSAVG: 3950200 -44.8174 28.9137 -36.6511 28.9138 -10.7666 19.5303 -36.6511 19.5304 43.0365 GPRESSAVG: 3950200 -45.7672 31.4313 -36.3678 27.7545 -10.2453 18.3635 -37.0769 18.9519 43.6497 TIMING: 3950200 CPU: 11844.8, 0.00305936/step Wall: 11844.8, 0.00305936/step, 0.892144 hours remaining, 206.269531 MB of memory in use. ENERGY: 3950200 772.7647 2086.4018 1933.0411 110.3552 -206379.1317 17697.0253 0.0000 0.0000 34249.8782 -149529.6655 299.1127 -183779.5437 -149438.9023 298.9406 -107.6597 -76.1741 557213.6458 -4.1825 -4.1209 PRESSURE: 3950400 72.1896 -43.0507 -109.077 -43.0521 47.6149 129.592 -109.075 129.592 198.158 GPRESSURE: 3950400 100.515 8.63727 -158.354 -70.2277 87.1957 188.226 -67.8547 27.315 233.48 PRESSAVG: 3950400 -30.1218 2.24775 27.9451 2.24778 22.0165 -18.8593 27.9451 -18.8594 -4.388 GPRESSAVG: 3950400 -29.7309 0.23392 26.158 3.3598 22.0501 -16.556 28.4592 -19.173 -4.97737 TIMING: 3950400 CPU: 11845.4, 0.00305339/step Wall: 11845.4, 0.00305339/step, 0.890233 hours remaining, 206.269531 MB of memory in use. ENERGY: 3950400 741.7562 2060.2187 1952.9875 120.5501 -206625.0288 18157.3370 0.0000 0.0000 34200.7447 -149391.4346 298.6836 -183592.1793 -149291.5848 298.6449 105.9876 140.3968 557659.8788 -4.1644 -4.2194 PRESSURE: 3950600 281.962 16.202 86.6935 16.2013 -113.47 15.6756 86.6932 15.675 108.285 GPRESSURE: 3950600 288.995 110.311 77.0747 -21.5629 -38.6126 43.2967 50.437 85.176 119.556 PRESSAVG: 3950600 -2.25374 -17.2283 -26.6831 -17.2284 -6.83279 0.428763 -26.6832 0.428759 5.91249 GPRESSAVG: 3950600 -1.75326 -16.7711 -25.7112 -16.3106 -6.61456 -2.17185 -25.6745 2.6731 4.70567 TIMING: 3950600 CPU: 11846, 0.0030347/step Wall: 11846, 0.0030347/step, 0.884616 hours remaining, 206.269531 MB of memory in use. ENERGY: 3950600 731.5462 2029.3439 1961.5062 112.2687 -206196.4911 17847.8148 0.0000 0.0000 34254.1165 -149259.8948 299.1497 -183514.0113 -149156.8279 299.2466 92.2592 123.3129 556869.8687 -1.0580 -1.2207 PRESSURE: 3950800 -225.902 0.494122 24.722 0.493953 -152.567 97.3956 24.7224 97.3956 -160.12 GPRESSURE: 3950800 -212.803 -28.3857 129.323 -47.6758 -121.94 80.3924 -34.5303 96.865 -104.676 PRESSAVG: 3950800 13.2853 13.2933 -40.1425 13.2934 38.6606 28.8307 -40.1425 28.8308 -27.2057 GPRESSAVG: 3950800 13.1768 11.2944 -39.8181 13.7332 38.7508 30.6634 -41.6692 26.7725 -26.4661 TIMING: 3950800 CPU: 11846.6, 0.0030593/step Wall: 11846.6, 0.0030593/step, 0.891615 hours remaining, 206.269531 MB of memory in use. ENERGY: 3950800 726.0210 2062.4230 1951.4150 116.1923 -205925.2522 17477.0646 0.0000 0.0000 34262.8488 -149329.2875 299.2260 -183592.1363 -149231.3645 298.9245 -179.5298 -146.4730 557971.0930 8.2467 8.4872 PRESSURE: 3951000 528.446 -110.835 38.5164 -110.836 185.432 -32.6942 38.5159 -32.6963 107.348 GPRESSURE: 3951000 547.504 -90.531 24.3874 -109.677 232.283 -38.7629 36.8489 -80.3833 131.118 PRESSAVG: 3951000 -2.6173 -22.5469 53.0619 -22.5469 60.1599 34.3953 53.0619 34.3952 -72.3199 GPRESSAVG: 3951000 -2.60022 -20.3166 53.2863 -23.2048 60.5172 32.6197 53.4938 34.9364 -72.7628 TIMING: 3951000 CPU: 11847.2, 0.00307039/step Wall: 11847.2, 0.00307039/step, 0.894676 hours remaining, 206.269531 MB of memory in use. ENERGY: 3951000 727.7671 2085.1059 1963.1618 107.3714 -206563.3737 18159.1457 0.0000 0.0000 34221.3064 -149299.5152 298.8632 -183520.8217 -149203.2777 299.2499 273.7421 303.6350 556298.6469 -4.9257 -4.9486 PRESSURE: 3951200 -338.334 -179.884 -45.6003 -179.884 62.1868 135.757 -45.6016 135.756 -20.5772 GPRESSURE: 3951200 -346.995 -147.992 24.6144 -192.337 97.9574 74.2502 -96.3412 98.4017 40.9208 PRESSAVG: 3951200 -11.293 -56.7386 25.0619 -56.7385 37.2042 -26.9677 25.0618 -26.9678 -15.9219 GPRESSAVG: 3951200 -13.0469 -56.1974 24.9712 -57.6275 38.232 -27.1426 25.3753 -26.7941 -15.2175 TIMING: 3951200 CPU: 11847.8, 0.00305574/step Wall: 11847.8, 0.00305574/step, 0.890238 hours remaining, 206.269531 MB of memory in use. ENERGY: 3951200 743.4229 2078.7145 1948.4664 120.5365 -205732.0521 17506.8488 0.0000 0.0000 34198.2332 -149135.8298 298.6617 -183334.0630 -149042.4941 299.5007 -98.9081 -69.3724 557006.6649 3.3298 3.3225 PRESSURE: 3951400 -144.565 -56.547 -98.0762 -56.5474 -129.734 2.42284 -98.0768 2.42288 165.47 GPRESSURE: 3951400 -104.79 -19.5218 -31.0208 -16.1527 -88.7823 -5.21495 -209.931 91.0467 179.943 PRESSAVG: 3951400 -44.9076 -2.65281 -1.3157 -2.65282 25.9274 42.2535 -1.31565 42.2534 1.27397 GPRESSAVG: 3951400 -42.0222 -2.89393 -2.8514 -1.23054 23.3303 42.4571 -1.71678 43.5879 1.64662 TIMING: 3951400 CPU: 11848.4, 0.00305712/step Wall: 11848.4, 0.00305712/step, 0.890472 hours remaining, 206.269531 MB of memory in use. ENERGY: 3951400 700.3063 2112.6269 1959.9572 108.0065 -206277.7210 17703.6802 0.0000 0.0000 34394.7920 -149298.3520 300.3783 -183693.1440 -149203.2756 298.9142 -36.2762 -4.5432 557217.0712 -5.9021 -5.6818 PRESSURE: 3951600 -302.629 36.2603 25.0707 36.26 28.6913 -147.929 25.0704 -147.927 -93.2059 GPRESSURE: 3951600 -200.538 73.4446 149.642 -32.1714 42.6433 -162.988 -56.5461 -98.3607 -92.5225 PRESSAVG: 3951600 -47.6451 11.9318 -13.5175 11.9319 34.6928 -23.4049 -13.5175 -23.4048 5.75559 GPRESSAVG: 3951600 -49.7015 10.8977 -12.7035 11.7868 36.4948 -22.429 -14.79 -24.5139 5.77523 TIMING: 3951600 CPU: 11849, 0.00307046/step Wall: 11849, 0.00307046/step, 0.894188 hours remaining, 206.269531 MB of memory in use. ENERGY: 3951600 724.6590 2030.7480 1919.5893 106.9354 -205773.9997 17655.6251 0.0000 0.0000 34103.3809 -149233.0620 297.8333 -183336.4429 -149136.5077 299.3195 -122.3812 -83.4724 558244.3535 -2.3989 -2.4772 PRESSURE: 3951800 -96.0783 -176.674 180.157 -176.673 -161.029 98.5403 180.156 98.5402 60.2876 GPRESSURE: 3951800 -69.327 -151.616 81.6028 -229.278 -115.986 204.503 186.093 19.6556 92.1907 PRESSAVG: 3951800 -37.7037 -16.9607 42.2444 -16.9607 -52.2753 -38.566 42.2445 -38.5661 37.694 GPRESSAVG: 3951800 -37.0802 -17.8353 42.0248 -16.4038 -52.6945 -39.257 44.9142 -40.9996 38.201 TIMING: 3951800 CPU: 11849.7, 0.00309331/step Wall: 11849.7, 0.00309331/step, 0.90067 hours remaining, 206.269531 MB of memory in use. ENERGY: 3951800 749.7145 2080.1924 1935.4690 107.2074 -206051.3642 17701.8728 0.0000 0.0000 34369.0229 -149107.8851 300.1532 -183476.9080 -149011.8892 299.5546 -65.6066 -31.0408 556887.0899 -17.4283 -17.1912 PRESSURE: 3952000 100.053 -154.871 16.2705 -154.873 -113.076 -100.373 16.2711 -100.374 -53.5257 GPRESSURE: 3952000 93.8987 -184.693 35.9305 -187.692 -52.5511 -124.62 -27.0755 -111.029 -19.5927 PRESSAVG: 3952000 57.9703 -15.6644 60.5365 -15.6644 -104.028 -54.2077 60.5364 -54.2078 18.0182 GPRESSAVG: 3952000 59.5261 -15.6218 60.1444 -18.0248 -104.787 -57.8434 59.2057 -52.8755 17.3033 TIMING: 3952000 CPU: 11850.3, 0.00304942/step Wall: 11850.3, 0.00304942/step, 0.88772 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: 3952000 766.8271 2097.5138 1953.2994 108.6825 -206327.5261 17938.2848 0.0000 0.0000 34425.2855 -149037.6331 300.6446 -183462.9186 -148947.0207 299.9054 -22.1828 7.2516 557629.6017 -9.3465 -9.3192 PRESSURE: 3952200 -208.206 -31.9886 -13.8986 -31.9896 -63.7451 -79.7211 -13.8997 -79.722 -390.242 GPRESSURE: 3952200 -153.398 -182.275 -44.982 6.99213 -54.4139 -3.13697 7.60698 -157.399 -351.244 PRESSAVG: 3952200 36.9948 -23.5802 32.7133 -23.5803 -91.0453 -47.3622 32.7133 -47.3622 47.281 GPRESSAVG: 3952200 35.1205 -22.6173 33.6723 -22.4287 -90.2341 -44.6242 34.4424 -48.5167 48.5987 TIMING: 3952200 CPU: 11850.9, 0.00305034/step Wall: 11850.9, 0.00305034/step, 0.887819 hours remaining, 206.269531 MB of memory in use. ENERGY: 3952200 739.3212 2150.2119 1962.5482 107.6558 -205467.3544 17385.7688 0.0000 0.0000 34183.9495 -148937.8990 298.5369 -183121.8485 -148846.2467 299.9844 -220.7310 -186.3518 558270.2143 -2.2565 -2.1716 LDB: ============= START OF LOAD BALANCING ============== 11854.3 LDB: ============== END OF LOAD BALANCING =============== 11854.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11854.3 LDB: ============= START OF LOAD BALANCING ============== 11854.6 LDB: Largest compute 4822 load 0.023476 is 19.9% of average load 0.118172 LDB: Average compute 0.001732 is 1.5% of average load 0.118172 LDB: TIME 11854.6 LOAD: AVG 0.118172 MAX 0.219879 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.648 MB LDB: TIME 11854.6 LOAD: AVG 0.118172 MAX 0.219879 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.648 MB LDB: TIME 11854.6 LOAD: AVG 0.118172 MAX 0.219879 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11854.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11854.6 PRESSURE: 3952400 -42.7525 -87.4606 81.881 -87.4593 -96.7414 196.44 81.8819 196.438 214.713 GPRESSURE: 3952400 -52.3153 -125.759 79.3685 -96.2534 -1.42954 184.021 56.4558 280.244 214.67 PRESSAVG: 3952400 -47.5327 -41.2151 -21.5204 -41.2151 20.2666 4.03139 -21.5204 4.0314 -8.33018 GPRESSAVG: 3952400 -47.0193 -41.6079 -22.138 -40.5692 20.9313 3.39069 -22.2197 5.76179 -9.34643 TIMING: 3952400 CPU: 11851.5, 0.00312213/step Wall: 11851.5, 0.00312213/step, 0.90854 hours remaining, 204.855469 MB of memory in use. ENERGY: 3952400 762.3596 2035.8333 1949.8251 117.2600 -206075.1541 17794.0254 0.0000 0.0000 34411.7341 -149004.1167 300.5262 -183415.8507 -148902.6941 299.9245 25.0732 53.6416 557854.6792 -11.8654 -11.8115 PRESSURE: 3952600 -167.671 -98.59 -82.4183 -98.5892 313.69 -75.5952 -82.4182 -75.5944 66.4153 GPRESSURE: 3952600 -86.5765 -79.5608 -31.4187 -81.0964 293.074 -133.294 -136.61 -50.4788 97.2011 PRESSAVG: 3952600 34.5828 -23.7648 13.7541 -23.7648 -30.9125 34.3405 13.754 34.3405 -1.35055 GPRESSAVG: 3952600 35.169 -21.4526 14.094 -24.4679 -31.7249 36.3549 13.9277 32.7644 -1.02299 TIMING: 3952600 CPU: 11852.1, 0.00304407/step Wall: 11852.1, 0.00304407/step, 0.885654 hours remaining, 204.855469 MB of memory in use. ENERGY: 3952600 705.7632 2087.2502 1963.5383 112.8820 -205655.9338 17729.2899 0.0000 0.0000 34165.7982 -148891.4121 298.3784 -183057.2103 -148796.4674 299.8530 70.8113 101.2328 559112.4081 0.7732 0.8070 PRESSURE: 3952800 224.79 -166.848 154.506 -166.849 -13.0746 -59.0406 154.507 -59.0402 -22.5571 GPRESSURE: 3952800 262.327 -200.879 88.1474 -105.727 3.61193 -163.882 227.675 -40.5435 11.3296 PRESSAVG: 3952800 9.51563 -37.6905 -18.538 -37.6905 7.83898 -40.5607 -18.5379 -40.5607 -38.2471 GPRESSAVG: 3952800 9.93003 -40.1266 -16.7966 -39.6862 7.88851 -42.8064 -18.5801 -40.4329 -38.9909 TIMING: 3952800 CPU: 11852.7, 0.00305584/step Wall: 11852.7, 0.00305584/step, 0.888911 hours remaining, 204.855469 MB of memory in use. ENERGY: 3952800 735.6020 2100.5542 1939.1159 122.8796 -206191.8316 17858.4266 0.0000 0.0000 34298.4573 -149136.7960 299.5370 -183435.2534 -149041.7415 299.2075 63.0528 92.4227 556712.8291 -6.9642 -7.0575 PRESSURE: 3953000 94.3578 75.4112 -180.649 75.4116 -138.754 147.884 -180.649 147.886 -3.21952 GPRESSURE: 3953000 76.3916 72.6372 -50.9884 145.628 -78.419 122.334 -217.512 100.194 49.278 PRESSAVG: 3953000 -1.30195 27.7111 27.8925 27.7111 -7.95527 7.29517 27.8926 7.29525 -2.97 GPRESSAVG: 3953000 -3.38705 27.186 25.3543 29.9473 -7.24083 8.33298 27.9556 7.71644 -0.769439 TIMING: 3953000 CPU: 11853.3, 0.00302896/step Wall: 11853.3, 0.00302896/step, 0.880924 hours remaining, 204.855469 MB of memory in use. ENERGY: 3953000 743.3757 2106.6793 1932.6667 108.1022 -206155.8023 17871.5107 0.0000 0.0000 34324.9554 -149068.5124 299.7684 -183393.4677 -148976.4839 299.5624 -15.8718 15.7502 556890.7439 -4.0757 -3.7991 PRESSURE: 3953200 275.724 -84.5855 -76.1551 -84.5853 -123.547 -41.2377 -76.1547 -41.2362 -120.702 GPRESSURE: 3953200 342.266 -74.6251 -69.5071 -127.563 -102.654 14.7071 -49.415 13.9456 -109.752 PRESSAVG: 3953200 16.1064 5.76165 36.4747 5.76158 -18.7665 -77.1613 36.4747 -77.1611 16.3301 GPRESSAVG: 3953200 18.1161 8.41942 39.0658 4.56121 -20.1397 -74.7052 35.6407 -77.9219 15.5865 TIMING: 3953200 CPU: 11853.9, 0.00305507/step Wall: 11853.9, 0.00305507/step, 0.888348 hours remaining, 204.921875 MB of memory in use. ENERGY: 3953200 720.6563 2143.9501 1927.7479 110.3319 -206005.5844 17712.1322 0.0000 0.0000 34368.4875 -149022.2786 300.1485 -183390.7660 -148926.5954 300.0429 10.4913 43.2868 557623.4589 4.5567 4.5210 PRESSURE: 3953400 325.961 -125.863 -15.5766 -125.864 14.9553 -193.226 -15.577 -193.224 -150.002 GPRESSURE: 3953400 309.372 -129.296 14.4541 -103.519 83.3831 -230.189 5.55099 -230.371 -112.697 PRESSAVG: 3953400 30.2389 -25.6247 20.0584 -25.6247 24.4425 -41.4648 20.0583 -41.4648 -73.2983 GPRESSAVG: 3953400 29.9867 -27.9531 17.7812 -25.1126 25.0506 -43.5378 21.8167 -41.7854 -74.1567 TIMING: 3953400 CPU: 11854.5, 0.00305855/step Wall: 11854.5, 0.00305855/step, 0.88919 hours remaining, 204.921875 MB of memory in use. ENERGY: 3953400 725.8112 2021.9625 1959.8693 127.8410 -205661.7206 17591.1993 0.0000 0.0000 34356.3093 -148878.7280 300.0422 -183235.0373 -148783.3902 300.1141 63.6384 93.3526 559638.5728 -6.2056 -6.3732 PRESSURE: 3953600 -126.805 -15.8025 68.6637 -15.8025 -220.999 124.922 68.6634 124.919 -252.426 GPRESSURE: 3953600 -163.992 -40.5695 58.5858 -66.2357 -122.292 114.061 63.2866 91.9499 -234.61 PRESSAVG: 3953600 -7.11329 -23.5691 66.1091 -23.5691 17.01 -32.4744 66.109 -32.4744 21.6877 GPRESSAVG: 3953600 -6.72193 -22.3568 66.727 -24.3988 18.1138 -33.7973 65.3814 -30.2115 20.9258 TIMING: 3953600 CPU: 11855.2, 0.00307573/step Wall: 11855.2, 0.00307573/step, 0.894012 hours remaining, 204.921875 MB of memory in use. ENERGY: 3953600 728.3061 2052.6348 1947.4780 108.8048 -205393.0071 17417.7201 0.0000 0.0000 34135.7190 -149002.3443 298.1157 -183138.0633 -148905.8375 298.7999 -200.0765 -173.6312 560721.8525 10.5281 10.7726 PRESSURE: 3953800 164.723 -210.643 101.666 -210.642 -207.85 59.092 101.666 59.0936 -244.86 GPRESSURE: 3953800 170.898 -215.565 53.1802 -109.947 -161.689 4.84571 81.9303 22.3477 -194.606 PRESSAVG: 3953800 -49.9575 20.4119 6.28526 20.4119 -51.8285 84.0799 6.28518 84.0799 42.7165 GPRESSAVG: 3953800 -50.4609 21.3343 6.22094 20.7677 -51.7307 85.5095 5.85532 82.9174 42.5148 TIMING: 3953800 CPU: 11855.8, 0.00307343/step Wall: 11855.8, 0.00307343/step, 0.893174 hours remaining, 204.921875 MB of memory in use. ENERGY: 3953800 715.5012 2094.8512 1929.2759 114.3366 -205734.5542 17557.2558 0.0000 0.0000 34342.7617 -148980.5717 299.9239 -183323.3334 -148886.1228 299.1780 -95.9959 -61.7986 558596.0015 -19.6898 -19.8923 PRESSURE: 3954000 -69.6577 1.92599 48.5503 1.92597 110.621 -13.033 48.5495 -13.0327 -77.8006 GPRESSURE: 3954000 -68.0138 -67.8273 -7.66174 4.65814 163.865 38.5496 103.503 -56.5917 -35.6078 PRESSAVG: 3954000 105.618 -9.24646 12.3237 -9.24646 -75.6077 48.7333 12.3237 48.7333 -43.7365 GPRESSAVG: 3954000 105.748 -9.43758 11.258 -9.75496 -76.9804 46.9721 13.5083 51.5168 -42.6151 TIMING: 3954000 CPU: 11856.4, 0.0030713/step Wall: 11856.4, 0.0030713/step, 0.892383 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: 3954000 707.8205 2054.2849 1954.4011 114.0838 -206122.6306 17784.6492 0.0000 0.0000 34433.1362 -149074.2549 300.7131 -183507.3911 -148967.9916 299.5718 -12.2790 20.0811 555967.5600 -4.5754 -4.6157 PRESSURE: 3954200 92.6444 49.6104 -3.80055 49.6128 -64.4624 71.1795 -3.80224 71.1807 118.923 GPRESSURE: 3954200 127.743 35.2114 -54.2438 84.458 -54.7098 70.0284 20.2961 89.6341 166.795 PRESSAVG: 3954200 -39.6557 -17.7262 -26.8463 -17.7263 85.2145 -37.735 -26.8463 -37.735 -9.5007 GPRESSAVG: 3954200 -39.1208 -19.7945 -26.8372 -15.8086 85.6129 -35.693 -28.4574 -40.1342 -10.133 TIMING: 3954200 CPU: 11857, 0.00307599/step Wall: 11857, 0.00307599/step, 0.893575 hours remaining, 204.921875 MB of memory in use. ENERGY: 3954200 717.0810 2031.2937 1930.4761 116.0122 -205466.5993 17441.7709 0.0000 0.0000 34247.9932 -148981.9721 299.0962 -183229.9653 -148892.8563 299.3738 49.0351 79.9428 556131.5876 12.0194 12.1197 PRESSURE: 3954400 -89.2898 43.7585 -5.42439 43.7596 190.01 -52.8249 -5.42485 -52.8235 -278.63 GPRESSURE: 3954400 -85.0885 74.1757 17.6592 -12.425 215.022 -72.5003 49.2669 -55.563 -208.69 PRESSAVG: 3954400 13.3579 -34.6967 -4.50479 -34.6967 23.7589 -46.0741 -4.50477 -46.0742 -19.3658 GPRESSAVG: 3954400 12.2633 -36.8946 -4.94558 -33.2036 23.7162 -46.4923 -3.53247 -45.5562 -18.1437 TIMING: 3954400 CPU: 11857.6, 0.00306522/step Wall: 11857.6, 0.00306522/step, 0.890277 hours remaining, 204.921875 MB of memory in use. ENERGY: 3954400 728.9934 2077.9635 1926.5343 98.2007 -205523.9925 17478.6906 0.0000 0.0000 34328.9219 -148884.6880 299.8030 -183213.6100 -148791.5035 299.4067 -59.3032 -26.2525 556714.4977 5.9170 5.9452 PRESSURE: 3954600 -192.563 -275.717 18.2161 -275.717 -56.4868 18.1587 18.2152 18.1578 -252.093 GPRESSURE: 3954600 -185.049 -202.083 50.7713 -243.942 -34.5711 61.75 101.163 -59.9484 -183.81 PRESSAVG: 3954600 -22.3189 16.4921 72.4986 16.492 59.3615 -38.7025 72.4986 -38.7024 -10.1087 GPRESSAVG: 3954600 -21.3462 19.1174 74.4279 14.2438 59.9371 -38.3116 71.8275 -36.1464 -12.1779 TIMING: 3954600 CPU: 11858.2, 0.00306378/step Wall: 11858.2, 0.00306378/step, 0.889689 hours remaining, 204.921875 MB of memory in use. ENERGY: 3954600 751.1738 2048.3224 1929.2278 112.9844 -205965.6847 17645.9481 0.0000 0.0000 34453.1069 -149024.9213 300.8876 -183478.0283 -148929.8506 300.3272 -167.0473 -134.4768 557474.1747 8.9780 8.8043 PRESSURE: 3954800 -96.0077 75.2428 21.0079 75.2432 40.2696 21.5892 21.0092 21.5896 -114.348 GPRESSURE: 3954800 -86.5403 99.2086 6.828 33.487 65.3415 25.5538 24.8725 48.0002 -43.5929 PRESSAVG: 3954800 1.00204 34.2013 25.0412 34.2013 27.4948 -14.1254 25.0412 -14.1253 -25.9188 GPRESSAVG: 3954800 -0.793191 35.6065 26.2156 34.2036 27.7736 -12.7602 23.4099 -16.648 -23.919 TIMING: 3954800 CPU: 11858.8, 0.00306065/step Wall: 11858.8, 0.00306065/step, 0.888608 hours remaining, 204.921875 MB of memory in use. ENERGY: 3954800 751.1454 2056.1628 1907.7153 114.7433 -205899.9424 17620.9933 0.0000 0.0000 34457.9166 -148991.2656 300.9296 -183449.1822 -148896.3871 299.6382 -56.6954 -21.5972 557205.8528 0.8594 1.0205 PRESSURE: 3955000 -268.14 46.301 129.866 46.3014 -48.4361 44.6622 129.866 44.6622 -124.891 GPRESSURE: 3955000 -167.736 -3.18738 23.7246 58.6771 -50.0762 124.762 172.962 -27.9889 -137.385 PRESSAVG: 3955000 -41.3093 49.2619 -6.31141 49.2619 65.8418 -27.0056 -6.3115 -27.0056 -3.52066 GPRESSAVG: 3955000 -39.8048 48.1127 -6.6078 49.5359 65.5794 -28.0137 -5.86375 -28.2648 -4.82935 TIMING: 3955000 CPU: 11859.5, 0.00302486/step Wall: 11859.5, 0.00302486/step, 0.878049 hours remaining, 204.921875 MB of memory in use. ENERGY: 3955000 754.4823 2076.4077 1942.6585 108.3684 -205749.8986 17587.4459 0.0000 0.0000 34097.2101 -149183.3257 297.7794 -183280.5358 -149091.5284 299.4768 -147.1556 -118.3988 558555.2068 7.0040 6.9818 PRESSURE: 3955200 22.8695 -143.714 109.907 -143.714 -63.9712 108.885 109.906 108.889 -5.23015 GPRESSURE: 3955200 50.5084 -94.0492 134.109 -119.126 -12.6199 179.217 144.611 44.3104 -1.75743 PRESSAVG: 3955200 -94.06 20.9752 -44.7145 20.9752 32.8333 21.8713 -44.7145 21.8714 45.4361 GPRESSAVG: 3955200 -94.5151 21.3294 -42.9499 21.8268 32.1082 23.2079 -44.6147 22.7896 46.5465 TIMING: 3955200 CPU: 11860.1, 0.00300715/step Wall: 11860.1, 0.00300715/step, 0.872742 hours remaining, 204.921875 MB of memory in use. ENERGY: 3955200 712.0478 2065.5993 1941.4192 113.3475 -206094.8284 17798.4382 0.0000 0.0000 34277.6235 -149186.3529 299.3550 -183463.9764 -149095.4717 298.9490 -15.4439 12.0437 556980.0585 -5.2635 -5.2868 PRESSURE: 3955400 -494.092 -58.557 -110.153 -58.5573 -515.395 16.6467 -110.153 16.6479 121.04 GPRESSURE: 3955400 -416.131 -84.2903 -169.679 -1.75777 -508.029 103.346 -73.89 -39.4105 128.938 PRESSAVG: 3955400 -76.865 12.0097 21.2506 12.0098 27.8639 16.503 21.2504 16.5029 80.0888 GPRESSAVG: 3955400 -76.5564 11.5673 19.9844 12.0777 27.7616 14.3991 21.5812 17.3022 79.6418 TIMING: 3955400 CPU: 11860.7, 0.00302727/step Wall: 11860.7, 0.00302727/step, 0.878411 hours remaining, 204.921875 MB of memory in use. ENERGY: 3955400 728.0093 2107.5140 1959.8914 116.1846 -206078.7728 17472.0018 0.0000 0.0000 34325.7599 -149369.4118 299.7754 -183695.1717 -149275.0435 298.5129 -296.1492 -265.0738 558580.1954 10.3626 10.2823 PRESSURE: 3955600 -233.299 -98.1906 61.3811 -98.1898 -127.912 -82.7083 61.3822 -82.7082 15.9791 GPRESSURE: 3955600 -137.478 -89.6808 93.0276 -128.07 -67.6183 -100.688 110.194 -53.0889 -31.8575 PRESSAVG: 3955600 -37.1014 2.64732 -35.0512 2.64734 2.73929 55.0516 -35.0511 55.0516 19.3653 GPRESSAVG: 3955600 -37.0121 2.74898 -35.4464 0.669203 2.92487 54.9891 -34.2694 54.6732 18.7969 TIMING: 3955600 CPU: 11861.3, 0.00305968/step Wall: 11861.3, 0.00305968/step, 0.887646 hours remaining, 204.921875 MB of memory in use. ENERGY: 3955600 721.1485 2118.3045 1943.6335 129.0549 -206125.8589 17586.7334 0.0000 0.0000 34243.0688 -149383.9153 299.0532 -183626.9840 -149284.2580 298.3855 -115.0771 -78.9846 556855.6679 -4.9989 -5.0968 PRESSURE: 3955800 106.423 75.2703 -133.692 75.2688 -137.48 139.076 -133.692 139.077 -39.3597 GPRESSURE: 3955800 46.0032 46.6864 -156.091 10.5669 -25.0338 65.2503 -99.2909 112.584 3.64578 PRESSAVG: 3955800 26.3497 27.1038 49.7474 27.1038 -58.682 16.9848 49.7475 16.9847 39.1219 GPRESSAVG: 3955800 24.5318 26.7941 49.5621 26.8118 -58.5806 18.5638 49.678 16.0376 40.737 TIMING: 3955800 CPU: 11861.9, 0.00304382/step Wall: 11861.9, 0.00304382/step, 0.882878 hours remaining, 204.921875 MB of memory in use. ENERGY: 3955800 746.4981 2028.3862 1971.9064 112.1867 -206649.7084 17930.9562 0.0000 0.0000 34349.4809 -149510.2940 299.9826 -183859.7749 -149417.1960 298.6760 -23.4722 8.2050 557044.5800 2.2632 2.2294 PRESSURE: 3956000 -3.05695 29.7973 -186.158 29.7973 -12.0407 -6.03701 -186.157 -6.03698 85.3067 GPRESSURE: 3956000 -13.8288 40.254 -136.551 -57.2653 47.8141 25.8666 -198.672 -36.1134 124.899 PRESSAVG: 3956000 -11.3757 42.4929 18.7086 42.4929 -33.4364 5.01413 18.7086 5.01397 50.2132 GPRESSAVG: 3956000 -9.85195 43.0394 18.3788 43.8533 -34.2466 5.22941 16.3595 5.13671 49.2725 TIMING: 3956000 CPU: 11862.5, 0.00302564/step Wall: 11862.5, 0.00302564/step, 0.877435 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: 3956000 720.5415 2130.9603 1982.1121 111.1804 -206283.1984 17670.0326 0.0000 0.0000 34238.0585 -149430.3130 299.0095 -183668.3714 -149325.0618 297.8559 23.4030 52.9614 556982.9542 1.8004 1.7247 PRESSURE: 3956200 -21.5039 31.4714 104.52 31.4714 -220.991 19.0193 104.52 19.0194 -273.187 GPRESSURE: 3956200 -26.2862 -23.0472 53.9869 9.69385 -166.449 77.6448 104.108 73.185 -226.125 PRESSAVG: 3956200 -65.9311 25.4821 13.7868 25.4823 -7.09821 21.0775 13.7868 21.0776 69.6739 GPRESSAVG: 3956200 -65.6081 25.1844 14.9907 25.6283 -7.12989 21.2585 14.6762 23.1294 69.5478 TIMING: 3956200 CPU: 11863.1, 0.00303241/step Wall: 11863.1, 0.00303241/step, 0.879231 hours remaining, 204.921875 MB of memory in use. ENERGY: 3956200 751.8174 2073.7021 1950.8047 120.4605 -205502.6445 17377.3238 0.0000 0.0000 34129.1934 -149099.3426 298.0587 -183228.5360 -148997.7633 298.2403 -171.8939 -139.6200 558746.0732 -1.1185 -1.0634 LDB: ============= START OF LOAD BALANCING ============== 11866.5 LDB: ============== END OF LOAD BALANCING =============== 11866.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11866.5 LDB: ============= START OF LOAD BALANCING ============== 11866.8 LDB: Largest compute 4822 load 0.024248 is 20.5% of average load 0.118088 LDB: Average compute 0.001731 is 1.5% of average load 0.118088 LDB: TIME 11866.8 LOAD: AVG 0.118088 MAX 0.217894 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.945 MB LDB: TIME 11866.8 LOAD: AVG 0.118088 MAX 0.217894 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.949 MB LDB: TIME 11866.8 LOAD: AVG 0.118088 MAX 0.217894 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.949 MB LDB: ============== END OF LOAD BALANCING =============== 11866.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11866.8 PRESSURE: 3956400 -33.7573 114.293 -35.3787 114.293 -168.381 -86.0586 -35.3782 -86.0563 191.536 GPRESSURE: 3956400 54.1558 46.7406 -29.1731 244.716 -210.668 -106.65 -82.3455 -108.038 250.688 PRESSAVG: 3956400 -15.7386 12.296 -10.3988 12.2961 -20.4829 -14.1513 -10.3988 -14.1513 46.3165 GPRESSAVG: 3956400 -15.5069 13.1494 -11.779 12.94 -21.2887 -13.7003 -10.3258 -14.3709 46.8959 TIMING: 3956400 CPU: 11863.7, 0.00314865/step Wall: 11863.7, 0.00314865/step, 0.912759 hours remaining, 206.457031 MB of memory in use. ENERGY: 3956400 760.6423 2094.3715 1941.1230 118.0488 -206266.9040 17807.0182 0.0000 0.0000 34293.5500 -149252.1501 299.4941 -183545.7001 -149152.2206 298.4571 -3.5340 31.3921 557010.0528 3.3650 3.3668 PRESSURE: 3956600 273.872 10.5432 115.37 10.5421 181.078 -88.1162 115.369 -88.115 167.74 GPRESSURE: 3956600 293.198 20.5579 65.5182 29.361 231.731 -52.6388 61.5457 -51.2051 210.495 PRESSAVG: 3956600 -11.1721 -29.5636 -42.8586 -29.5635 50.566 -76.6802 -42.8586 -76.68 -58.6215 GPRESSAVG: 3956600 -12.1242 -29.2755 -40.098 -29.6148 52.9344 -76.8176 -43.7548 -79.4605 -59.6419 TIMING: 3956600 CPU: 11864.3, 0.0030584/step Wall: 11864.3, 0.0030584/step, 0.886425 hours remaining, 206.457031 MB of memory in use. ENERGY: 3956600 754.9368 2088.2330 1946.2052 121.5640 -206598.4435 18096.8518 0.0000 0.0000 34371.4287 -149219.2239 300.1742 -183590.6526 -149127.4121 298.6814 207.5635 245.1413 556545.0124 -6.4092 -6.2772 PRESSURE: 3956800 55.5449 -114.254 -165.533 -114.254 154.408 -187.677 -165.532 -187.676 82.3196 GPRESSURE: 3956800 81.4005 -176.728 -183.833 -167.948 186.426 -328.982 -162.599 -148.291 117.637 PRESSAVG: 3956800 -34.8385 58.1397 -15.0971 58.1397 -28.5042 -9.64201 -15.097 -9.64202 95.7361 GPRESSAVG: 3956800 -35.9652 58.7364 -17.7283 57.3355 -29.2944 -11.2913 -13.7491 -7.16362 97.1201 TIMING: 3956800 CPU: 11864.9, 0.0030377/step Wall: 11864.9, 0.0030377/step, 0.880259 hours remaining, 206.457031 MB of memory in use. ENERGY: 3956800 773.8358 2078.6777 1970.4049 108.5749 -206743.2722 18163.6921 0.0000 0.0000 34404.9137 -149243.1731 300.4667 -183648.0868 -149150.1168 299.3600 97.4242 128.4881 557719.0912 10.7978 10.6201 PRESSURE: 3957000 124.7 -76.3887 -14.3616 -76.3886 39.4904 16.0962 -14.3621 16.0944 25.6103 GPRESSURE: 3957000 190.217 -125.625 20.0094 -19.6089 82.0711 52.6994 -15.3541 0.460138 10.4377 PRESSAVG: 3957000 21.3421 -10.2448 -26.2126 -10.2447 63.1764 0.863112 -26.2127 0.863126 -32.2527 GPRESSAVG: 3957000 22.1015 -11.5691 -25.0721 -10.4709 62.2979 2.35248 -26.9624 0.937715 -31.9058 TIMING: 3957000 CPU: 11865.5, 0.00301797/step Wall: 11865.5, 0.00301797/step, 0.874372 hours remaining, 206.457031 MB of memory in use. ENERGY: 3957000 776.2139 2173.9130 1958.1695 113.9969 -206523.3058 18092.6784 0.0000 0.0000 34225.3845 -149182.9496 298.8988 -183408.3341 -149085.4750 299.3626 63.2669 94.2420 558234.2902 17.4219 17.4979 PRESSURE: 3957200 -244.153 -49.2531 36.1416 -49.2538 -77.4411 -85.5297 36.1413 -85.5286 -193.454 GPRESSURE: 3957200 -173.495 -42.8043 16.9485 -57.731 -58.3131 -84.3899 -41.8724 -73.375 -193.098 PRESSAVG: 3957200 7.64071 -14.9394 -15.0182 -14.9394 30.1857 -12.0603 -15.0182 -12.0603 -0.833171 GPRESSAVG: 3957200 9.68662 -16.2728 -15.6917 -13.6495 30.1542 -11.632 -14.5215 -13.6216 -2.69703 TIMING: 3957200 CPU: 11866.1, 0.00303343/step Wall: 11866.1, 0.00303343/step, 0.878683 hours remaining, 206.457031 MB of memory in use. ENERGY: 3957200 767.0731 2118.3638 1942.2878 105.2209 -206266.5148 17651.5231 0.0000 0.0000 34331.0690 -149350.9772 299.8218 -183682.0462 -149258.5193 299.2572 -171.6826 -141.6356 557413.1881 12.3311 12.3813 PRESSURE: 3957400 -351.321 -10.704 14.6965 -10.7039 0.608152 86.0884 14.6963 86.0873 -63.9044 GPRESSURE: 3957400 -316.495 -6.1396 109.338 113.187 -23.3622 89.3158 -10.8389 59.3403 20.0863 PRESSAVG: 3957400 -13.5861 22.6353 -25.5177 22.6353 55.7025 48.4063 -25.5178 48.4064 -26.8564 GPRESSAVG: 3957400 -14.9223 22.3988 -23.8256 23.7697 56.4369 46.2798 -26.6251 51.2893 -25.7807 TIMING: 3957400 CPU: 11866.7, 0.0029961/step Wall: 11866.7, 0.0029961/step, 0.867705 hours remaining, 206.457031 MB of memory in use. ENERGY: 3957400 779.5325 2142.6850 1924.2754 120.4204 -206325.2417 17765.8095 0.0000 0.0000 34300.8750 -149291.6440 299.5581 -183592.5189 -149190.4881 299.1768 -138.2056 -106.5902 557194.6058 5.0867 5.2446 PRESSURE: 3957600 -231.807 -127.186 99.9283 -127.186 -107.556 -71.5664 99.9277 -71.5641 -173.847 GPRESSURE: 3957600 -260.577 -99.7 35.3464 -179.395 -35.0777 -117.506 149.668 -72.3132 -122.041 PRESSAVG: 3957600 4.28522 42.3641 59.5075 42.364 -2.80209 -14.8221 59.5074 -14.8221 32.8289 GPRESSAVG: 3957600 3.39047 42.4967 56.5093 41.2811 -2.84337 -14.5403 61.8408 -16.1633 34.1975 TIMING: 3957600 CPU: 11867.3, 0.00300101/step Wall: 11867.3, 0.00300101/step, 0.868958 hours remaining, 206.457031 MB of memory in use. ENERGY: 3957600 737.6425 2111.4570 1929.3133 121.5889 -206064.5711 17540.2919 0.0000 0.0000 34391.9195 -149232.3579 300.3532 -183624.2774 -149131.9330 299.6291 -171.0698 -139.2318 556986.8335 11.4374 11.5815 PRESSURE: 3957800 111.071 220.067 13.468 220.066 -13.8607 -214.889 13.4665 -214.89 139.045 GPRESSURE: 3957800 120.419 179.999 49.6519 104.855 55.0644 -168.39 19.5719 -199.039 151.58 PRESSAVG: 3957800 10.5223 -3.74791 30.2926 -3.74793 33.0113 -25.6235 30.2927 -25.6236 2.2016 GPRESSAVG: 3957800 12.7186 -3.97241 31.4908 -3.68596 31.2016 -24.769 29.4671 -24.7129 1.71133 TIMING: 3957800 CPU: 11868, 0.00304276/step Wall: 11868, 0.00304276/step, 0.88088 hours remaining, 206.714844 MB of memory in use. ENERGY: 3957800 754.3795 2042.7271 1958.2099 118.3860 -206852.2487 18227.4959 0.0000 0.0000 34290.3321 -149460.7181 299.4660 -183751.0502 -149365.6957 299.2646 78.7518 109.0212 556551.0709 15.2451 15.2105 PRESSURE: 3958000 162.877 4.96699 51.3885 4.96631 375.566 -48.2471 51.3883 -48.2474 82.5015 GPRESSURE: 3958000 217.286 -59.7997 1.0058 16.3198 406.756 -12.0188 31.6143 -99.529 96.313 PRESSAVG: 3958000 -23.7953 12.4112 -5.957 12.4112 20.1365 -11.9777 -5.95703 -11.9777 -7.11041 GPRESSAVG: 3958000 -24.4002 12.4524 -4.58683 12.9386 20.4681 -10.7834 -6.5392 -15.5033 -6.7395 TIMING: 3958000 CPU: 11868.6, 0.00302907/step Wall: 11868.6, 0.00302907/step, 0.876749 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: 3958000 739.7856 2069.7717 1956.2909 112.6446 -206429.5564 18165.7437 0.0000 0.0000 34080.2529 -149305.0672 297.6313 -183385.3201 -149213.8800 299.0155 206.9815 240.1186 557065.0644 -3.5897 -3.5572 PRESSURE: 3958200 192.565 9.36513 23.7812 9.36453 83.9712 8.73112 23.781 8.73227 -120.075 GPRESSURE: 3958200 191.86 90.6477 60.8641 -32.4772 101.731 -51.7943 -28.1702 105.661 -37.0528 PRESSAVG: 3958200 55.072 -9.92639 -3.32981 -9.92641 -19.1614 -25.7856 -3.32985 -25.7856 1.97767 GPRESSAVG: 3958200 55.2979 -9.37374 -4.07238 -9.95637 -17.9602 -27.7019 -2.48705 -21.2426 0.674193 TIMING: 3958200 CPU: 11869.2, 0.00305439/step Wall: 11869.2, 0.00305439/step, 0.883908 hours remaining, 206.714844 MB of memory in use. ENERGY: 3958200 712.5343 2082.9068 1965.2865 121.4031 -206242.4856 17903.5591 0.0000 0.0000 34304.7755 -149152.0202 299.5921 -183456.7958 -149054.5653 299.1986 52.1537 85.5127 557365.2108 12.6294 12.6707 PRESSURE: 3958400 -38.5309 -182.912 214.54 -182.913 -102.569 -6.25931 214.542 -6.25931 137.891 GPRESSURE: 3958400 -69.3239 -218.995 171.838 -250.721 -6.73646 44.4703 252.358 -36.1938 165.558 PRESSAVG: 3958400 26.3776 -72.1314 2.37977 -72.1313 3.53515 0.7406 2.37976 0.740596 -44.8024 GPRESSAVG: 3958400 25.8401 -70.9281 3.66557 -72.9788 4.04408 3.14558 3.68613 -1.03236 -44.3625 TIMING: 3958400 CPU: 11869.8, 0.00304728/step Wall: 11869.8, 0.00304728/step, 0.88168 hours remaining, 206.917969 MB of memory in use. ENERGY: 3958400 800.6267 2052.1851 1920.5099 118.9452 -206469.8229 17966.1625 0.0000 0.0000 34390.4842 -149220.9093 300.3407 -183611.3935 -149129.3198 299.7140 -1.0696 29.8325 558338.2522 -4.9632 -4.8261 PRESSURE: 3958600 -203.625 50.9992 22.5134 50.9982 17.9922 87.4104 22.5128 87.4108 -54.252 GPRESSURE: 3958600 -114.325 47.3816 -46.539 -22.3221 9.2286 66.0033 36.4342 -23.0886 -49.8421 PRESSAVG: 3958600 15.774 -5.39874 20.9433 -5.39882 11.9785 21.9166 20.9434 21.9166 -29.6795 GPRESSAVG: 3958600 17.6393 -6.79877 20.8214 -5.64059 11.0375 21.3055 18.9473 19.8416 -31.1385 TIMING: 3958600 CPU: 11870.4, 0.00304317/step Wall: 11870.4, 0.00304317/step, 0.880321 hours remaining, 206.917969 MB of memory in use. ENERGY: 3958600 802.3235 2133.9975 1923.9388 111.9301 -206227.0142 17682.1440 0.0000 0.0000 34325.3560 -149247.3242 299.7719 -183572.6803 -149153.0406 299.1208 -79.9615 -51.6463 556865.0927 -0.6423 -0.8206 PRESSURE: 3958800 -107.979 61.8423 14.2291 61.8414 87.5669 -286.298 14.2286 -286.296 176.655 GPRESSURE: 3958800 -60.0416 56.9175 50.747 103.769 108.781 -267.234 27.8225 -202.88 182.907 PRESSAVG: 3958800 21.6577 29.7174 -22.0229 29.7174 -12.4569 -34.9421 -22.0229 -34.9421 55.6863 GPRESSAVG: 3958800 20.0062 31.0618 -20.0488 31.0708 -12.3331 -36.3314 -21.9515 -33.6141 57.1961 TIMING: 3958800 CPU: 11871, 0.00303379/step Wall: 11871, 0.00303379/step, 0.877438 hours remaining, 206.917969 MB of memory in use. ENERGY: 3958800 756.0599 2035.1443 1925.6226 115.9952 -205979.4027 17668.7692 0.0000 0.0000 34306.1942 -149171.6173 299.6045 -183477.8115 -149075.4821 299.5773 52.0809 77.2156 556763.5859 21.6290 21.6231 PRESSURE: 3959000 -142.984 -75.1612 -74.6007 -75.161 26.1898 -53.6115 -74.5992 -53.6111 -210.793 GPRESSURE: 3959000 -89.941 -81.4387 -93.9845 -103.757 61.1438 -40.6478 -118.304 -86.1253 -205.152 PRESSAVG: 3959000 6.86484 -18.0915 17.035 -18.0915 2.39851 1.11704 17.0349 1.11705 -27.8581 GPRESSAVG: 3959000 7.94572 -19.7949 16.4438 -19.6581 3.17378 0.877976 16.5717 3.17369 -29.5727 TIMING: 3959000 CPU: 11871.6, 0.00302715/step Wall: 11871.6, 0.00302715/step, 0.875352 hours remaining, 206.917969 MB of memory in use. ENERGY: 3959000 734.0528 2035.3784 1922.4901 121.1092 -205771.2631 17521.1423 0.0000 0.0000 34422.4968 -149014.5935 300.6202 -183437.0903 -148917.0146 299.4281 -109.1957 -77.9830 558261.6977 -6.1982 -6.1511 PRESSURE: 3959200 -91.0014 14.7837 -59.2306 14.7839 -290.76 63.4663 -59.2318 63.4671 -445.003 GPRESSURE: 3959200 -109.721 -37.8803 -70.3134 20.4933 -217.913 71.3015 -97.5546 45.3165 -393.935 PRESSAVG: 3959200 2.21413 -4.81497 -38.3768 -4.81491 18.2671 15.537 -38.3768 15.537 -20.3281 GPRESSAVG: 3959200 0.907362 -2.32497 -39.7443 -3.93262 18.1548 16.951 -37.9255 12.5922 -18.919 TIMING: 3959200 CPU: 11872.2, 0.00305656/step Wall: 11872.2, 0.00305656/step, 0.883687 hours remaining, 206.917969 MB of memory in use. ENERGY: 3959200 743.3076 2059.8928 1934.5660 121.7991 -205501.8179 17288.1889 0.0000 0.0000 34405.0417 -148949.0218 300.4678 -183354.0635 -148852.8759 299.7947 -275.5880 -240.5232 559387.1826 0.0510 0.0478 PRESSURE: 3959400 -305.832 261.493 111.152 261.492 -48.7298 311.268 111.152 311.27 -182.527 GPRESSURE: 3959400 -309.683 192.684 70.3843 280.458 10.6005 207.568 135.43 393.227 -148.327 PRESSAVG: 3959400 -23.4633 27.9315 2.73705 27.9315 18.891 -12.0682 2.73706 -12.0682 2.95907 GPRESSAVG: 3959400 -23.4304 26.9817 4.15638 26.8951 18.7337 -14.2983 2.54945 -12.0665 3.3229 TIMING: 3959400 CPU: 11872.8, 0.00302781/step Wall: 11872.8, 0.00302781/step, 0.875207 hours remaining, 206.917969 MB of memory in use. ENERGY: 3959400 748.2654 2085.2943 1935.7748 112.3786 -205758.0912 17497.8147 0.0000 0.0000 34185.1088 -149193.4547 298.5471 -183378.5635 -149101.8258 299.6010 -179.0295 -149.1363 557182.9785 -0.5377 -0.4579 PRESSURE: 3959600 247.248 115.47 55.2322 115.47 -112.155 -18.9464 55.23 -18.9447 90.6982 GPRESSURE: 3959600 243.679 134.548 -3.96967 67.6665 -62.3998 37.454 25.1299 -85.4139 145.945 PRESSAVG: 3959600 -0.767102 -9.8538 -53.9999 -9.85373 68.5546 -5.57521 -54 -5.57534 -4.89747 GPRESSAVG: 3959600 0.791695 -8.54714 -55.9723 -9.65637 68.6596 -4.26228 -53.0748 -5.33846 -6.62261 TIMING: 3959600 CPU: 11873.4, 0.00303661/step Wall: 11873.4, 0.00303661/step, 0.87758 hours remaining, 206.917969 MB of memory in use. ENERGY: 3959600 776.0175 1998.5221 1944.7867 101.4979 -206620.1882 18196.1915 0.0000 0.0000 34524.8038 -149078.3688 301.5137 -183603.1726 -148982.7524 298.7337 75.2636 109.0747 556727.3808 20.9633 20.9429 PRESSURE: 3959800 37.827 44.1097 -107.963 44.109 -92.512 -222.659 -107.963 -222.657 -22.3154 GPRESSURE: 3959800 38.3493 -17.5072 -199.267 112.858 -34.3104 -225.395 -111.097 -175.581 16.4403 PRESSAVG: 3959800 -14.8597 68.1151 -39.7601 68.1151 24.2867 -50.0697 -39.7601 -50.0697 -25.8764 GPRESSAVG: 3959800 -17.8692 66.0786 -39.2481 70.0125 23.7794 -52.4035 -40.6033 -49.1574 -22.5775 TIMING: 3959800 CPU: 11874, 0.00303387/step Wall: 11874, 0.00303387/step, 0.876621 hours remaining, 206.917969 MB of memory in use. ENERGY: 3959800 746.1278 2044.2290 1962.4133 107.6461 -206081.7063 17686.9588 0.0000 0.0000 34322.3448 -149211.9865 299.7456 -183534.3313 -149117.0197 299.5820 -25.6668 6.8264 557165.7830 -5.4831 -5.5558 PRESSURE: 3960000 176.225 -120.27 -16.9311 -120.27 1.97901 46.4022 -16.932 46.4017 99.0885 GPRESSURE: 3960000 263.296 -104.8 14.5889 -141.091 53.4697 64.3072 -70.1469 12.7892 61.7336 PRESSAVG: 3960000 36.8527 31.5835 -18.7251 31.5834 10.0928 -17.4362 -18.7249 -17.4361 -5.96473 GPRESSAVG: 3960000 39.5414 32.8636 -18.5258 29.6321 10.4421 -15.7347 -15.7974 -17.5995 -8.60083 TIMING: 3960000 CPU: 11874.6, 0.0030667/step Wall: 11874.6, 0.0030667/step, 0.885937 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: 3960000 710.4032 2074.8805 1941.9348 103.7739 -206480.2927 18034.0503 0.0000 0.0000 34353.4891 -149261.7608 300.0176 -183615.2499 -149164.0953 299.2467 92.4307 126.1663 557233.9955 13.6602 13.7942 PRESSURE: 3960200 140.968 3.98646 -162.067 3.98593 249.041 22.6271 -162.067 22.6288 246.151 GPRESSURE: 3960200 164.697 17.982 -214.928 57.7144 287.904 68.7822 -149.472 26.7664 279.702 PRESSAVG: 3960200 -72.2525 -14.6744 -1.48832 -14.6743 49.2081 23.611 -1.4883 23.6109 50.1946 GPRESSAVG: 3960200 -73.0104 -14.663 -2.4535 -14.0122 49.7713 24.3125 -3.41213 24.7172 50.1236 TIMING: 3960200 CPU: 11875.3, 0.00306175/step Wall: 11875.3, 0.00306175/step, 0.884337 hours remaining, 206.917969 MB of memory in use. ENERGY: 3960200 726.7007 2157.5940 1919.0798 119.8260 -206327.2146 18080.6334 0.0000 0.0000 34003.5624 -149319.8183 296.9616 -183323.3807 -149232.6467 299.4376 212.0532 244.1011 557475.7644 9.0501 8.9615 LDB: ============= START OF LOAD BALANCING ============== 11878.7 LDB: ============== END OF LOAD BALANCING =============== 11878.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11878.7 LDB: ============= START OF LOAD BALANCING ============== 11879 LDB: Largest compute 4822 load 0.023464 is 19.9% of average load 0.118070 LDB: Average compute 0.001733 is 1.5% of average load 0.118070 LDB: TIME 11879 LOAD: AVG 0.11807 MAX 0.218295 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.363 MB LDB: TIME 11879 LOAD: AVG 0.11807 MAX 0.218295 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.562 MB LDB: TIME 11879 LOAD: AVG 0.11807 MAX 0.218295 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.562 MB LDB: ============== END OF LOAD BALANCING =============== 11879 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11879 PRESSURE: 3960400 236.509 17.7076 -34.0452 17.7086 88.8448 -46.2837 -34.0447 -46.2841 -272.172 GPRESSURE: 3960400 196.992 -0.514585 -9.27794 27.8484 88.2604 19.1092 -26.3188 -17.7318 -144.046 PRESSAVG: 3960400 -8.02487 64.8881 -45.3251 64.8882 55.8538 55.5716 -45.3251 55.5716 -19.5975 GPRESSAVG: 3960400 -8.41647 63.0036 -44.6541 64.4886 56.0425 55.1733 -46.0927 54.4737 -19.7733 TIMING: 3960400 CPU: 11875.9, 0.00312578/step Wall: 11875.9, 0.00312578/step, 0.902656 hours remaining, 205.875000 MB of memory in use. ENERGY: 3960400 718.2266 2079.9025 1968.8170 113.2250 -206076.2396 17800.9779 0.0000 0.0000 34173.4173 -149221.6732 298.4450 -183395.0906 -149126.2514 298.8264 17.7274 47.0688 558083.7609 9.4105 9.2843 PRESSURE: 3960600 40.0584 -87.9845 21.9121 -87.9858 244.088 192.888 21.9146 192.887 118.658 GPRESSURE: 3960600 73.5198 32.035 -17.9093 -118.915 298.313 226.92 40.8977 205.472 127.832 PRESSAVG: 3960600 -28.1136 34.3336 -25.8812 34.3336 65.2689 -4.73608 -25.8812 -4.73605 13.5749 GPRESSAVG: 3960600 -28.0084 35.3804 -25.5001 34.6412 64.9887 -5.9767 -24.4073 -2.87277 13.7209 TIMING: 3960600 CPU: 11876.5, 0.00306363/step Wall: 11876.5, 0.00306363/step, 0.884537 hours remaining, 205.875000 MB of memory in use. ENERGY: 3960600 696.9050 2112.0884 1935.9487 119.6967 -206510.7035 18032.0895 0.0000 0.0000 34414.4097 -149199.5654 300.5496 -183613.9751 -149097.2370 299.2141 134.2679 166.5549 558369.9188 16.9101 16.9004 PRESSURE: 3960800 347.396 22.8112 17.9596 22.8118 181.035 139.056 17.9587 139.054 20.377 GPRESSURE: 3960800 363.24 3.88511 47.5392 57.2005 244.11 197.491 3.95768 124.05 38.9575 PRESSAVG: 3960800 39.2581 -23.7918 -60.9953 -23.7918 35.0656 48.8378 -60.9953 48.8378 -52.1921 GPRESSAVG: 3960800 40.2485 -24.4729 -62.5081 -22.4179 35.6381 49.9913 -61.7889 47.1311 -53.3179 TIMING: 3960800 CPU: 11877.1, 0.00304097/step Wall: 11877.1, 0.00304097/step, 0.877827 hours remaining, 205.875000 MB of memory in use. ENERGY: 3960800 757.2414 2048.9909 1950.0649 119.6903 -206540.1398 18141.4458 0.0000 0.0000 34278.4093 -149244.2972 299.3619 -183522.7065 -149143.8455 299.6283 182.9362 215.4356 557223.7727 7.3772 7.5229 PRESSURE: 3961000 72.1078 -49.3094 0.809079 -49.3094 333.501 4.3541 0.808464 4.35304 142.262 GPRESSURE: 3961000 96.7395 -16.5519 -85.9514 6.75756 336.373 -2.63318 -20.2392 23.4617 201.221 PRESSAVG: 3961000 52.3055 -8.25025 -59.2956 -8.2503 46.8075 -2.29369 -59.2955 -2.2937 -43.1572 GPRESSAVG: 3961000 53.135 -7.72166 -57.7422 -9.11614 44.8339 -3.24236 -60.3146 -1.31119 -41.7185 TIMING: 3961000 CPU: 11877.7, 0.00305495/step Wall: 11877.7, 0.00305495/step, 0.881694 hours remaining, 205.875000 MB of memory in use. ENERGY: 3961000 731.8942 2089.7718 1937.5523 117.8770 -206484.0489 18100.2103 0.0000 0.0000 34247.4271 -149259.3163 299.0913 -183506.7434 -149173.4033 299.6038 182.6236 211.4446 557092.0948 18.6520 18.7501 PRESSURE: 3961200 252.28 3.52514 90.7648 3.52571 -43.8937 163.817 90.7653 163.815 -338.132 GPRESSURE: 3961200 210.173 -54.7323 79.5429 78.3458 15.7043 188.298 119.853 176.139 -255.848 PRESSAVG: 3961200 28.3802 -50.3683 -79.4361 -50.3684 -4.83631 62.5049 -79.4361 62.5048 -63.9071 GPRESSAVG: 3961200 28.0625 -50.5752 -81.9497 -48.6197 -3.2487 64.1298 -77.523 61.6587 -64.7937 TIMING: 3961200 CPU: 11878.3, 0.00308368/step Wall: 11878.3, 0.00308368/step, 0.889812 hours remaining, 205.875000 MB of memory in use. ENERGY: 3961200 734.7332 2117.9998 1920.0365 107.9972 -206206.5563 17847.2694 0.0000 0.0000 34065.2154 -149413.3048 297.5000 -183478.5202 -149316.9235 298.5900 -43.2488 -9.9902 557023.7436 -13.4544 -13.3266 PRESSURE: 3961400 13.6357 154.387 104.024 154.385 -21.889 -65.1898 104.024 -65.1896 -403.778 GPRESSURE: 3961400 19.2306 159.066 84.7804 119.975 26.4174 -133.214 155.135 -37.5709 -349.427 PRESSAVG: 3961400 46.668 -31.0141 -35.1904 -31.0141 -23.0584 -29.3003 -35.1904 -29.3003 -29.9147 GPRESSAVG: 3961400 45.8216 -30.9866 -34.6061 -31.8361 -22.4134 -29.3813 -36.0981 -29.7245 -29.2239 TIMING: 3961400 CPU: 11878.9, 0.00307867/step Wall: 11878.9, 0.00307867/step, 0.888196 hours remaining, 205.875000 MB of memory in use. ENERGY: 3961400 736.5845 2037.0164 1966.6758 109.9372 -205881.4552 17653.7474 0.0000 0.0000 34203.7237 -149173.7702 298.7096 -183377.4939 -149079.8320 299.0213 -137.3437 -101.2596 559643.1997 -2.1017 -1.9386 PRESSURE: 3961600 -22.6003 225.593 -101.809 225.592 -49.0996 -31.9416 -101.809 -31.9414 217.461 GPRESSURE: 3961600 39.9559 101.596 -83.245 244.295 -23.8252 101.197 -147.72 -126.234 228.248 PRESSAVG: 3961600 -39.9463 -9.21449 37.3591 -9.21443 -6.05415 -34.5721 37.3592 -34.572 19.6995 GPRESSAVG: 3961600 -39.1996 -10.5276 37.8868 -9.85482 -6.29179 -34.1919 36.944 -36.1961 18.9664 TIMING: 3961600 CPU: 11879.6, 0.00309779/step Wall: 11879.6, 0.00309779/step, 0.89354 hours remaining, 205.875000 MB of memory in use. ENERGY: 3961600 742.9547 2115.1270 1943.7809 118.6122 -206406.4718 17956.4044 0.0000 0.0000 34330.9886 -149198.6040 299.8211 -183529.5925 -149098.3876 299.2160 48.5871 81.4596 558089.8872 -8.7670 -8.8417 PRESSURE: 3961800 -164.651 69.8729 -18.7194 69.8724 -15.1344 28.2776 -18.7205 28.2777 116.8 GPRESSURE: 3961800 -141.376 134.124 -29.9076 -24.0974 9.89117 38.0796 4.81645 -29.6735 171.65 PRESSAVG: 3961800 90.3355 -16.7149 8.67098 -16.7149 -16.8845 -64.2934 8.67087 -64.2934 -38.0966 GPRESSAVG: 3961800 89.6869 -15.2369 10.5068 -16.4614 -16.8045 -63.1996 9.08214 -62.1884 -37.9773 TIMING: 3961800 CPU: 11880.2, 0.00305586/step Wall: 11880.2, 0.00305586/step, 0.881277 hours remaining, 205.875000 MB of memory in use. ENERGY: 3961800 712.1025 2095.7034 1937.8889 99.7287 -205950.4129 17723.4801 0.0000 0.0000 34362.2514 -149019.2577 300.0941 -183381.5092 -148922.7658 298.8227 -20.9950 13.3886 558275.8862 11.7848 11.6350 PRESSURE: 3962000 -25.3892 -158.567 0.474303 -158.569 -152.714 -8.44399 0.476077 -8.44468 346.182 GPRESSURE: 3962000 22.508 -98.4006 21.3242 -136.787 -111.565 -33.4117 36.7524 3.39804 369.217 PRESSAVG: 3962000 47.5772 -32.9753 -23.7235 -32.9754 26.8573 26.6017 -23.7233 26.6018 -22.6495 GPRESSAVG: 3962000 48.4048 -33.8694 -24.7026 -31.3946 26.075 23.8717 -24.6327 26.9599 -23.0252 TIMING: 3962000 CPU: 11880.8, 0.00305914/step Wall: 11880.8, 0.00305914/step, 0.882051 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: 3962000 693.1070 2095.6789 1938.7080 108.0002 -206133.2270 17852.3631 0.0000 0.0000 34322.6280 -149122.7417 299.7480 -183445.3697 -149027.5168 299.3779 56.0263 93.3867 558584.0624 17.2617 17.1515 PRESSURE: 3962200 -235.156 17.2461 174.735 17.2458 166.605 -91.5297 174.736 -91.5295 106.313 GPRESSURE: 3962200 -163.67 -62.0261 182.881 110.615 143.674 -136.464 98.1099 -149.872 158.92 PRESSAVG: 3962200 -71.7501 -45.8567 -22.7696 -45.8567 7.12668 -4.4929 -22.7696 -4.49294 46.4008 GPRESSAVG: 3962200 -72.4235 -45.6419 -23.8061 -48.4238 6.87226 -3.18095 -20.785 -6.64468 46.9001 TIMING: 3962200 CPU: 11881.4, 0.00305961/step Wall: 11881.4, 0.00305961/step, 0.882018 hours remaining, 205.875000 MB of memory in use. ENERGY: 3962200 756.8891 2087.0406 1962.9961 110.6159 -206082.2335 17799.4866 0.0000 0.0000 34313.2617 -149051.9436 299.6662 -183365.2053 -148954.4328 299.7549 12.5872 46.3079 558187.9173 -6.0742 -6.2171 PRESSURE: 3962400 42.4227 122.484 52.4667 122.485 -14.6182 23.178 52.4671 23.1785 85.7986 GPRESSURE: 3962400 6.18494 13.9854 48.2451 169.683 28.1382 32.9288 63.1887 17.7642 185.139 PRESSAVG: 3962400 -101.815 15.3552 38.5103 15.3551 7.25472 11.2616 38.5103 11.2617 68.6209 GPRESSAVG: 3962400 -103.128 15.9212 39.6579 15.8128 9.15686 10.8654 35.9091 13.1322 67.8424 TIMING: 3962400 CPU: 11882, 0.00307377/step Wall: 11882, 0.00307377/step, 0.885929 hours remaining, 205.875000 MB of memory in use. ENERGY: 3962400 756.5517 2080.0907 1924.3858 111.4633 -206181.9012 17875.4956 0.0000 0.0000 34326.1205 -149107.7936 299.7785 -183433.9141 -149006.8759 300.0348 37.8677 73.1542 558572.5893 -8.6463 -8.7095 PRESSURE: 3962600 30.4316 75.0837 122.162 75.0839 373.504 12.5138 122.162 12.5149 115.53 GPRESSURE: 3962600 76.0437 34.9693 57.8399 87.4389 405.773 5.59961 167.614 41.2205 131.933 PRESSAVG: 3962600 -27.5871 -7.66873 -10.1193 -7.66889 40.3863 -12.6554 -10.1193 -12.6555 -7.33297 GPRESSAVG: 3962600 -27.1628 -9.27204 -11.8841 -6.66376 39.9262 -11.6917 -8.13254 -12.2942 -7.48169 TIMING: 3962600 CPU: 11882.6, 0.00307725/step Wall: 11882.6, 0.00307725/step, 0.88676 hours remaining, 205.875000 MB of memory in use. ENERGY: 3962600 727.7899 2089.1001 1940.3024 119.6527 -206272.0514 17994.0672 0.0000 0.0000 34257.2781 -149143.8612 299.1773 -183401.1393 -149045.5175 299.0900 173.1551 204.5834 556726.3071 1.8221 1.7606 PRESSURE: 3962800 -38.8372 27.0782 45.0771 27.0775 -346.061 87.3836 45.0769 87.382 -303.188 GPRESSURE: 3962800 -27.4574 146.463 3.85688 -28.3021 -297.383 162.156 1.15264 19.8391 -278.621 PRESSAVG: 3962800 91.8362 -15.2959 -15.417 -15.2958 -4.62516 -5.11371 -15.417 -5.11365 -65.0284 GPRESSAVG: 3962800 91.4215 -13.9857 -14.2785 -16.2473 -4.94179 -5.90206 -16.9893 -5.52033 -64.6406 TIMING: 3962800 CPU: 11883.2, 0.00305138/step Wall: 11883.2, 0.00305138/step, 0.879137 hours remaining, 205.875000 MB of memory in use. ENERGY: 3962800 768.9557 2065.1561 1925.1950 129.2755 -205696.3375 17445.3792 0.0000 0.0000 34217.6789 -149144.6971 298.8315 -183362.3760 -149047.4664 298.9530 -229.3620 -201.1538 558364.4156 7.3942 7.2797 PRESSURE: 3963000 -13.2879 68.3919 -106.314 68.3924 -158.182 34.467 -106.315 34.4663 -129.79 GPRESSURE: 3963000 48.8306 -6.5571 -29.4131 106.431 -154.206 -67.1989 -149.079 29.3983 -97.6856 PRESSAVG: 3963000 41.0407 25.6346 -12.3451 25.6347 -71.7413 52.9152 -12.345 52.9152 19.7094 GPRESSAVG: 3963000 41.5386 26.0903 -12.9458 27.3762 -72.0778 53.121 -12.3922 52.9058 19.1599 TIMING: 3963000 CPU: 11883.9, 0.00302958/step Wall: 11883.9, 0.00302958/step, 0.872688 hours remaining, 205.875000 MB of memory in use. ENERGY: 3963000 744.5994 2067.0802 1937.0390 105.7636 -206001.5679 17616.2922 0.0000 0.0000 34458.1908 -149072.6026 300.9320 -183530.7934 -148971.7656 300.6069 -100.4201 -67.6871 556068.7996 -3.6637 -3.7931 PRESSURE: 3963200 1.58535 -156.945 3.20725 -156.946 5.75707 87.2157 3.20685 87.2144 -161.295 GPRESSURE: 3963200 -8.94948 -139.906 -76.8467 -97.8892 68.6778 45.8221 12.0848 66.8189 -114.601 PRESSAVG: 3963200 44.7312 -47.8727 15.2852 -47.8727 64.0519 29.958 15.2852 29.9581 -60.5047 GPRESSAVG: 3963200 44.2644 -49.6621 16.028 -48.3092 64.4024 28.6183 16.0416 30.4894 -60.9726 TIMING: 3963200 CPU: 11884.5, 0.00305628/step Wall: 11884.5, 0.00305628/step, 0.880209 hours remaining, 205.875000 MB of memory in use. ENERGY: 3963200 723.1753 2050.9523 1970.9471 118.0207 -205804.7475 17676.3449 0.0000 0.0000 34165.7114 -149099.5959 298.3777 -183265.3073 -148999.7473 300.2190 -51.3176 -18.2908 557426.2070 16.0928 15.8981 PRESSURE: 3963400 69.615 14.1735 50.1242 14.1727 148.813 11.5944 50.1243 11.5953 -80.8534 GPRESSURE: 3963400 67.4601 34.4931 96.347 112.18 146.741 41.6186 31.0341 23.4803 2.45729 PRESSAVG: 3963400 38.0866 -12.6229 36.0212 -12.6229 10.0813 60.9504 36.0212 60.9504 -70.2291 GPRESSAVG: 3963400 37.5934 -11.4743 35.242 -11.9461 9.79487 61.7072 37.7405 60.545 -69.3369 TIMING: 3963400 CPU: 11885.1, 0.00306471/step Wall: 11885.1, 0.00306471/step, 0.882465 hours remaining, 205.875000 MB of memory in use. ENERGY: 3963400 761.6380 2045.7334 1930.0099 115.6594 -206158.0958 17778.1135 0.0000 0.0000 34415.8402 -149111.1014 300.5621 -183526.9416 -149010.0021 299.4567 45.8582 72.2195 557866.5348 -7.3537 -7.3162 PRESSURE: 3963600 -219.188 80.5558 0.912021 80.5545 -87.0711 -0.392324 0.9119 -0.393069 90.725 GPRESSURE: 3963600 -224.616 100.269 34.6228 63.6623 -55.5963 35.6645 87.5517 -9.24883 152.878 PRESSAVG: 3963600 -26.5254 -1.13091 -30.287 -1.13105 -46.0637 -8.77024 -30.2869 -8.77023 32.905 GPRESSAVG: 3963600 -25.099 -2.72674 -31.2055 -2.08175 -46.256 -6.99003 -31.9561 -9.53198 32.0861 TIMING: 3963600 CPU: 11885.7, 0.00301985/step Wall: 11885.7, 0.00301985/step, 0.86938 hours remaining, 205.875000 MB of memory in use. ENERGY: 3963600 772.3602 2071.5614 1973.8312 124.0620 -206083.4960 17778.9576 0.0000 0.0000 34328.1084 -149034.6152 299.7959 -183362.7237 -148938.2799 299.2696 -71.8446 -42.4447 558061.9722 -13.2281 -13.0896 PRESSURE: 3963800 -478.307 101.33 18.0115 101.33 -401.795 -106.957 18.0119 -106.957 -215.647 GPRESSURE: 3963800 -397.318 107.015 20.5945 42.1528 -385.273 -110.495 13.2692 -144.789 -226.932 PRESSAVG: 3963800 -59.076 -17.6296 15.4877 -17.6295 30.8764 37.5811 15.4877 37.581 36.0978 GPRESSAVG: 3963800 -58.9448 -17.3199 16.016 -18.2041 30.1172 35.1884 16.2669 39.6003 36.8077 TIMING: 3963800 CPU: 11886.3, 0.00303263/step Wall: 11886.3, 0.00303263/step, 0.872893 hours remaining, 205.875000 MB of memory in use. ENERGY: 3963800 766.9520 2129.2516 1965.4189 109.9642 -205821.8607 17478.8720 0.0000 0.0000 34198.2066 -149173.1954 298.6614 -183371.4020 -149084.6174 299.5614 -365.2496 -336.5074 560776.0640 2.6327 2.6600 PRESSURE: 3964000 296.157 55.9493 -35.4266 55.9494 -105.786 -62.974 -35.4269 -62.9749 -43.9635 GPRESSURE: 3964000 296.635 6.7201 -59.9977 26.6312 -57.6947 -83.7778 -18.6316 69.7404 10.6765 PRESSAVG: 3964000 -3.92358 -17.8292 34.867 -17.8293 20.2446 34.0479 34.8671 34.0479 -32.9059 GPRESSAVG: 3964000 -4.86344 -15.7598 36.7235 -18.3913 20.6659 35.8579 34.75 31.6985 -32.592 TIMING: 3964000 CPU: 11886.9, 0.00305096/step Wall: 11886.9, 0.00305096/step, 0.878 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: 3964000 763.3451 2032.8710 1965.0524 117.0558 -206381.1584 17955.0091 0.0000 0.0000 34357.7034 -149190.1216 300.0544 -183547.8251 -149094.4131 299.7494 48.8026 83.2056 558784.8417 -5.5283 -5.5965 PRESSURE: 3964200 -96.5781 28.3078 3.25794 28.3095 272.331 113.706 3.25732 113.706 236.618 GPRESSURE: 3964200 -32.0663 92.6857 -30.846 49.4987 324.181 201.745 -31.3027 33.4621 232.869 PRESSAVG: 3964200 6.53649 -56.4206 -17.9732 -56.4207 -21.1431 44.9816 -17.9731 44.9816 -17.6644 GPRESSAVG: 3964200 6.28418 -58.5166 -19.9831 -54.3003 -20.7197 44.4115 -19.0787 45.317 -17.7936 TIMING: 3964200 CPU: 11887.5, 0.00306599/step Wall: 11887.5, 0.00306599/step, 0.882153 hours remaining, 205.875000 MB of memory in use. ENERGY: 3964200 767.1243 2095.9386 1950.1796 115.5692 -206337.4275 18103.8705 0.0000 0.0000 33964.3528 -149340.3924 296.6191 -183304.7452 -149246.8563 298.6442 137.4569 174.9947 557324.1984 -10.7570 -10.7430 LDB: ============= START OF LOAD BALANCING ============== 11890.9 LDB: ============== END OF LOAD BALANCING =============== 11890.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11890.9 LDB: ============= START OF LOAD BALANCING ============== 11891.2 LDB: Largest compute 4822 load 0.022723 is 19.3% of average load 0.117974 LDB: Average compute 0.001734 is 1.5% of average load 0.117974 LDB: TIME 11891.3 LOAD: AVG 0.117974 MAX 0.216366 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.578 MB LDB: TIME 11891.3 LOAD: AVG 0.117974 MAX 0.216366 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.648 MB LDB: TIME 11891.3 LOAD: AVG 0.117974 MAX 0.216366 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11891.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11891.3 PRESSURE: 3964400 40.2233 -131.823 41.7619 -131.822 -37.1267 105.944 41.7618 105.942 -464.927 GPRESSURE: 3964400 54.6527 -77.558 80.9107 -164.32 -40.4789 9.67725 1.10375 122.57 -371.263 PRESSAVG: 3964400 34.8979 -49.3189 28.977 -49.3188 -2.8389 -3.39727 28.9771 -3.39717 4.77334 GPRESSAVG: 3964400 36.2987 -47.8089 31.3232 -51.5429 -2.5403 -3.20054 29.1765 -2.91461 3.10088 TIMING: 3964400 CPU: 11888.1, 0.00310368/step Wall: 11888.1, 0.00310368/step, 0.892826 hours remaining, 205.609375 MB of memory in use. ENERGY: 3964400 737.7940 2106.1098 1947.5364 115.0425 -206077.7355 17537.7006 0.0000 0.0000 34283.2591 -149350.2932 299.4042 -183633.5523 -149260.1593 297.5560 -153.9434 -119.0299 557983.3556 12.2774 12.2864 PRESSURE: 3964600 -425.619 5.06162 122.85 5.06157 -299.364 -51.5455 122.848 -51.5439 -533.642 GPRESSURE: 3964600 -441.371 12.6177 115.118 -0.984511 -321.375 -72.3982 117.944 -52.3375 -404.588 PRESSAVG: 3964600 4.96271 -36.0962 6.16276 -36.0962 -3.99973 -4.19063 6.16282 -4.19073 -10.3893 GPRESSAVG: 3964600 3.60205 -35.9045 4.72789 -34.666 -3.79485 -5.31534 7.33381 -1.46161 -8.57022 TIMING: 3964600 CPU: 11888.7, 0.00306813/step Wall: 11888.7, 0.00306813/step, 0.882427 hours remaining, 205.609375 MB of memory in use. ENERGY: 3964600 749.1061 2124.2288 1937.8955 115.6508 -205566.9903 17105.4618 0.0000 0.0000 33945.1450 -149589.5023 296.4514 -183534.6473 -149490.1705 298.4737 -419.5415 -389.1109 558549.9719 -3.1421 -2.9210 PRESSURE: 3964800 7.20532 -43.1333 -60.5839 -43.1334 -14.7939 -23.081 -60.5816 -23.0808 -185.055 GPRESSURE: 3964800 64.9702 -27.367 -132.46 -75.9799 -17.5265 12.201 -4.04167 -84.6184 -153.203 PRESSAVG: 3964800 4.85292 -47.1866 -1.22622 -47.1866 -13.6223 26.0202 -1.22627 26.0203 17.3565 GPRESSAVG: 3964800 5.38497 -46.9932 -1.78896 -48.2804 -14.4155 29.2124 -1.43471 23.4111 17.6525 TIMING: 3964800 CPU: 11889.4, 0.00307488/step Wall: 11889.4, 0.00307488/step, 0.884199 hours remaining, 205.609375 MB of memory in use. ENERGY: 3964800 710.8788 2055.6167 1933.9110 106.4238 -206226.0202 17762.3500 0.0000 0.0000 34043.2802 -149613.5598 297.3084 -183656.8399 -149527.4735 297.5083 -64.2144 -35.2532 557136.4514 2.8624 2.8740 PRESSURE: 3965000 -20.7761 -119.075 54.9342 -119.075 126.41 95.2506 54.9359 95.2523 -22.1867 GPRESSURE: 3965000 17.374 -123.595 57.4961 -187.978 129.574 99.6604 19.124 100.589 53.8334 PRESSAVG: 3965000 29.9142 -69.9274 -41.7049 -69.9274 62.5821 22.3956 -41.7049 22.3957 -49.5299 GPRESSAVG: 3965000 30.6192 -70.2358 -39.4519 -68.4096 61.9189 20.2131 -44.9455 22.4244 -49.5853 TIMING: 3965000 CPU: 11890, 0.0030583/step Wall: 11890, 0.0030583/step, 0.879262 hours remaining, 205.609375 MB of memory in use. ENERGY: 3965000 728.8398 2100.4885 1915.0915 114.6549 -206790.7087 18191.9024 0.0000 0.0000 34159.5458 -149580.1859 298.3238 -183739.7317 -149486.3841 298.4207 27.8156 66.9273 557508.0302 14.3221 14.3176 PRESSURE: 3965200 8.29754 121.916 -86.7505 121.916 -200.535 45.314 -86.7519 45.315 -330.852 GPRESSURE: 3965200 27.119 192.385 -96.1196 48.6071 -149.915 126.72 -7.96085 57.8882 -303.965 PRESSAVG: 3965200 -9.31505 -20.4079 -28.6589 -20.408 44.5502 -0.0614509 -28.6589 -0.0615432 -6.38355 GPRESSAVG: 3965200 -9.90697 -18.2311 -29.5328 -22.0711 45.6083 -0.897243 -25.2566 1.99402 -6.50861 TIMING: 3965200 CPU: 11890.6, 0.00307/step Wall: 11890.6, 0.00307/step, 0.882455 hours remaining, 205.609375 MB of memory in use. ENERGY: 3965200 790.9565 2051.0457 1916.9443 119.8388 -206405.3839 17735.7998 0.0000 0.0000 34202.0678 -149588.7309 298.6952 -183790.7987 -149498.8861 298.6089 -174.3632 -142.2537 557410.1696 9.6172 9.7309 PRESSURE: 3965400 -56.7599 -39.4842 106.109 -39.4855 -218.757 -116.054 106.109 -116.053 -119.143 GPRESSURE: 3965400 -2.48306 -23.8425 98.1531 -50.0438 -225.634 -119.959 101.305 -47.0235 -65.4479 PRESSAVG: 3965400 103.285 -15.7976 15.1533 -15.7977 -47.0294 -14.3422 15.1532 -14.3422 12.3285 GPRESSAVG: 3965400 102.983 -17.6627 13.4248 -15.8016 -46.2376 -12.0211 14.7067 -16.397 11.9282 TIMING: 3965400 CPU: 11891.2, 0.00305515/step Wall: 11891.2, 0.00305515/step, 0.878017 hours remaining, 205.609375 MB of memory in use. ENERGY: 3965400 740.7877 2060.2232 1930.3471 115.1415 -206073.3139 17552.8285 0.0000 0.0000 34175.9167 -149498.0691 298.4668 -183673.9859 -149402.3025 298.8404 -131.5535 -97.8549 557381.5277 22.8613 22.8911 PRESSURE: 3965600 279.726 73.6198 -82.6851 73.6209 -59.6784 26.7913 -82.686 26.7898 -48.4933 GPRESSURE: 3965600 314.725 140.718 -65.0165 -8.92794 -90.092 -30.0718 -115.726 58.6965 37.5547 PRESSAVG: 3965600 56.939 2.29817 30.0979 2.2981 -65.9894 30.1432 30.0978 30.1431 9.49294 GPRESSAVG: 3965600 56.6136 1.06785 31.2104 2.47937 -66.5698 28.9012 30.1342 32.796 10.0588 TIMING: 3965600 CPU: 11891.8, 0.00307074/step Wall: 11891.8, 0.00307074/step, 0.882326 hours remaining, 205.609375 MB of memory in use. ENERGY: 3965600 718.1216 2097.1932 1955.1022 119.9522 -206314.8006 17769.4654 0.0000 0.0000 34245.7849 -149409.1810 299.0770 -183654.9660 -149315.8915 298.4519 57.1847 87.3958 556415.9228 0.1475 0.0342 PRESSURE: 3965800 -384.769 -102.873 87.2436 -102.874 91.8488 -89.9995 87.2437 -89.9975 2.08322 GPRESSURE: 3965800 -329.529 -25.795 86.8832 -163.954 114.232 -146.597 119.865 -113.321 27.8698 PRESSAVG: 3965800 28.5902 -20.3867 33.7725 -20.3868 -27.4592 -15.6402 33.7725 -15.6403 18.9297 GPRESSAVG: 3965800 29.0952 -18.8248 32.1651 -21.5344 -27.601 -16.1284 34.6482 -15.7816 18.3731 TIMING: 3965800 CPU: 11892.4, 0.00307625/step Wall: 11892.4, 0.00307625/step, 0.883739 hours remaining, 205.609375 MB of memory in use. ENERGY: 3965800 747.4826 2095.5706 1911.2014 105.0643 -206169.5499 17665.6279 0.0000 0.0000 34195.8093 -149448.7937 298.6405 -183644.6031 -149346.1249 298.3398 -96.9458 -62.4759 556681.5924 6.6869 6.6224 PRESSURE: 3966000 16.7419 -63.7353 204.669 -63.7343 -185.028 25.5779 204.669 25.578 213.721 GPRESSURE: 3966000 11.0358 -130.216 248.548 -19.4047 -97.8201 5.22466 187.245 -22.8891 221.947 PRESSAVG: 3966000 48.6661 -46.3416 2.52535 -46.3416 -62.4323 -3.41401 2.52547 -3.41392 29.5441 GPRESSAVG: 3966000 49.0415 -47.092 2.73434 -43.8012 -63.7925 -3.06548 2.38638 -6.67188 31.0041 TIMING: 3966000 CPU: 11893, 0.0030833/step Wall: 11893, 0.0030833/step, 0.885593 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: 3966000 755.7419 2084.4595 1948.5876 112.3732 -206569.3814 17910.9358 0.0000 0.0000 34310.0989 -149447.1845 299.6386 -183757.2835 -149354.6048 298.3089 15.1449 45.0541 557940.7698 5.2593 5.4177 PRESSURE: 3966200 -262.069 30.4438 73.9739 30.4444 48.4662 -23.1615 73.9724 -23.1605 -221.168 GPRESSURE: 3966200 -170.333 -38.6916 17.9475 85.1117 0.366096 -36.68 172.433 -82.7459 -169.848 PRESSAVG: 3966200 -37.4954 10.8008 30.3326 10.8009 -29.2606 5.9389 30.3325 5.93875 61.6487 GPRESSAVG: 3966200 -38.6448 9.6981 30.7083 9.8883 -27.7093 5.38705 31.3432 8.01521 61.0794 TIMING: 3966200 CPU: 11893.7, 0.00305012/step Wall: 11893.7, 0.00305012/step, 0.875893 hours remaining, 205.609375 MB of memory in use. ENERGY: 3966200 734.3659 2061.9448 1960.7533 110.5279 -206285.1396 17767.8261 0.0000 0.0000 34101.1949 -149548.5267 297.8142 -183649.7215 -149461.0651 298.2301 -144.9235 -113.2716 557829.4344 -1.7025 -1.7582 PRESSURE: 3966400 194.408 -87.8891 -19.2577 -87.8884 199.836 44.2857 -19.2559 44.2876 290.291 GPRESSURE: 3966400 221.509 -94.447 -30.1836 -53.8134 232.988 -93.2361 36.9427 83.9313 327.52 PRESSAVG: 3966400 30.2655 57.7704 59.7184 57.7704 12.2191 9.57449 59.7185 9.5745 -45.9242 GPRESSAVG: 3966400 32.1192 57.0807 60.5437 58.5333 11.3906 10.1374 56.6943 9.60261 -46.604 TIMING: 3966400 CPU: 11894.3, 0.00305859/step Wall: 11894.3, 0.00305859/step, 0.878155 hours remaining, 205.609375 MB of memory in use. ENERGY: 3966400 743.0203 2109.8580 1934.8016 107.4654 -206746.1250 18114.7882 0.0000 0.0000 34235.8153 -149500.3762 298.9899 -183736.1915 -149404.1019 298.7396 228.1781 260.6722 556108.3645 -1.1465 -1.0314 PRESSURE: 3966600 -30.2445 54.6958 34.7204 54.6963 77.092 -53.6956 34.7204 -53.6956 -35.5859 GPRESSURE: 3966600 -29.1781 2.68289 -46.3449 22.6624 168.321 -52.9648 76.8563 -103.987 -23.2467 PRESSAVG: 3966600 39.3266 28.9907 38.249 28.9908 21.3909 19.0609 38.2491 19.061 -71.8171 GPRESSAVG: 3966600 39.1765 31.6554 38.0445 28.0296 20.5756 20.0424 38.6302 16.4042 -70.5777 TIMING: 3966600 CPU: 11894.9, 0.00307072/step Wall: 11894.9, 0.00307072/step, 0.881468 hours remaining, 205.609375 MB of memory in use. ENERGY: 3966600 708.6668 2070.7165 1958.8779 106.8957 -206365.6458 17674.4748 0.0000 0.0000 34373.9659 -149472.0483 300.1964 -183846.0142 -149374.5287 298.7659 3.7539 38.6320 557298.2546 -3.6999 -3.6085 PRESSURE: 3966800 -84.7614 -67.3047 -155.525 -67.3036 99.2333 46.7443 -155.524 46.7444 199.886 GPRESSURE: 3966800 -70.6835 -18.2525 -161.467 -66.6798 99.8862 127.32 -201.06 52.795 280.141 PRESSAVG: 3966800 14.7354 50.1177 -3.24479 50.1177 38.494 20.6206 -3.2448 20.6206 -29.0513 GPRESSAVG: 3966800 14.2916 48.0625 -2.82589 50.0945 37.8416 18.1024 -2.52331 23.7586 -28.6161 TIMING: 3966800 CPU: 11895.5, 0.00310846/step Wall: 11895.5, 0.00310846/step, 0.892127 hours remaining, 205.609375 MB of memory in use. ENERGY: 3966800 760.9308 2054.1994 1927.9719 96.9901 -206561.9017 17879.5369 0.0000 0.0000 34309.9277 -149532.3450 299.6371 -183842.2727 -149430.7240 298.3961 71.4526 103.1147 555307.3244 8.0594 7.8390 PRESSURE: 3967000 339.604 2.13536 -57.101 2.13388 104.611 -15.0978 -57.0995 -15.0966 86.5258 GPRESSURE: 3967000 343.107 32.4546 -87.8763 -108.053 106.624 -98.7274 -87.2543 61.2563 164.698 PRESSAVG: 3967000 -39.4813 8.27736 -42.3044 8.27724 -38.2005 -2.71399 -42.3043 -2.7139 42.1761 GPRESSAVG: 3967000 -39.3739 8.55855 -41.0667 10.385 -38.283 -1.87209 -44.6377 -3.31489 42.0805 TIMING: 3967000 CPU: 11896.1, 0.00307749/step Wall: 11896.1, 0.00307749/step, 0.883068 hours remaining, 205.609375 MB of memory in use. ENERGY: 3967000 764.8240 2171.7271 1954.7438 136.1214 -206633.9578 18041.6429 0.0000 0.0000 34020.1434 -149544.7553 297.1064 -183564.8987 -149448.0743 299.2845 176.9136 204.8097 555769.5492 -11.8352 -11.8588 PRESSURE: 3967200 -19.6172 -75.1465 102.487 -75.1446 -104.575 11.6169 102.488 11.616 36.7544 GPRESSURE: 3967200 28.6704 -38.1874 97.2845 -58.9158 -92.214 -51.6817 155.969 57.189 70.786 PRESSAVG: 3967200 13.384 11.0162 -40.6731 11.0163 -99.4395 41.586 -40.6731 41.5861 94.0965 GPRESSAVG: 3967200 12.6066 12.4089 -41.88 8.01816 -97.9409 42.5179 -38.514 42.9625 93.8547 TIMING: 3967200 CPU: 11896.7, 0.00304913/step Wall: 11896.7, 0.00304913/step, 0.874762 hours remaining, 205.609375 MB of memory in use. ENERGY: 3967200 739.1430 2074.5895 1919.9189 122.1781 -206567.7818 17934.6355 0.0000 0.0000 34084.5317 -149692.7851 297.6687 -183777.3168 -149590.2494 298.1706 -29.1459 2.4141 558175.2718 2.6803 2.8402 PRESSURE: 3967400 -73.4405 -51.5515 -68.4956 -51.5518 -194.732 14.0361 -68.4953 14.0366 -141.958 GPRESSURE: 3967400 -35.0006 -6.27439 -119.45 -108.033 -140.268 37.6907 -28.2554 -9.02014 -135.393 PRESSAVG: 3967400 -93.4431 9.49009 2.56588 9.49012 25.4142 23.6048 2.56589 23.6046 41.1194 GPRESSAVG: 3967400 -92.7184 8.70199 3.363 11.4056 24.6178 25.9355 1.12173 21.6759 41.4203 TIMING: 3967400 CPU: 11897.3, 0.00308261/step Wall: 11897.3, 0.00308261/step, 0.884194 hours remaining, 205.609375 MB of memory in use. ENERGY: 3967400 723.6813 2057.5974 1919.9684 114.5483 -206455.3308 17692.8069 0.0000 0.0000 34321.8443 -149624.8842 299.7412 -183946.7284 -149527.4344 297.7115 -136.7103 -103.5538 558365.9367 -8.9698 -8.8934 PRESSURE: 3967600 10.6955 157.346 -6.05225 157.344 8.13553 -165.105 -6.05303 -165.103 -61.7479 GPRESSURE: 3967600 23.7632 177.798 -13.8917 147.372 77.1143 -193.188 -32.4011 -178.246 -42.2691 PRESSAVG: 3967600 37.7463 26.5895 -27.958 26.5895 23.9625 -5.62339 -27.9581 -5.62346 -17.5021 GPRESSAVG: 3967600 37.2389 27.1842 -29.6516 25.9734 24.2466 -9.45345 -26.4081 -5.71684 -17.6197 TIMING: 3967600 CPU: 11898, 0.00307466/step Wall: 11898, 0.00307466/step, 0.881744 hours remaining, 205.609375 MB of memory in use. ENERGY: 3967600 750.4080 2135.7674 1918.7991 115.8840 -206625.8387 17864.2994 0.0000 0.0000 34261.4426 -149579.2382 299.2137 -183840.6808 -149473.9769 298.2808 -14.3056 19.5361 557483.4655 14.7356 14.6219 PRESSURE: 3967800 255.788 -61.8163 -111.621 -61.8163 -235.395 129.848 -111.62 129.848 35.6339 GPRESSURE: 3967800 283.708 -36.6089 -20.9463 -44.3069 -190.09 79.1236 -66.6957 118.605 56.6268 PRESSAVG: 3967800 -80.0743 81.992 24.6988 81.992 6.82698 -18.5718 24.6988 -18.5718 84.593 GPRESSAVG: 3967800 -80.0596 80.5419 24.8638 81.9856 6.68232 -18.7076 25.667 -17.4514 84.8415 TIMING: 3967800 CPU: 11898.6, 0.00305925/step Wall: 11898.6, 0.00305925/step, 0.877156 hours remaining, 205.609375 MB of memory in use. ENERGY: 3967800 715.5522 2121.3982 1935.7514 114.1394 -206650.3274 17807.7264 0.0000 0.0000 34318.5853 -149637.1745 299.7127 -183955.7598 -149535.9282 298.2930 18.6760 50.0814 556286.9984 3.7819 3.8214 PRESSURE: 3968000 407.321 32.4594 7.47347 32.4605 -10.1456 -121.929 7.47398 -121.929 -152.06 GPRESSURE: 3968000 438.044 -17.3051 -10.5088 72.4191 15.7513 -131.826 -17.5249 -62.5439 -115.773 PRESSAVG: 3968000 26.8282 -19.5927 -29.6706 -19.5926 8.86811 -27.2103 -29.6706 -27.2104 -53.5282 GPRESSAVG: 3968000 28.0777 -20.4413 -28.1824 -20.4752 8.37563 -25.7327 -30.7388 -27.4985 -54.5036 TIMING: 3968000 CPU: 11899.2, 0.00307314/step Wall: 11899.2, 0.00307314/step, 0.880966 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: 3968000 750.7971 2163.1302 1919.9766 112.0798 -206721.4637 18028.8347 0.0000 0.0000 34066.1792 -149680.4661 297.5084 -183746.6453 -149583.0333 297.9740 81.7052 112.6741 556723.8028 -5.9439 -6.0168 PRESSURE: 3968200 -161.992 -83.2852 31.3321 -83.2856 164.749 34.8019 31.3311 34.8016 -33.863 GPRESSURE: 3968200 -171.242 -7.2069 48.8904 -21.427 239.678 -55.916 -6.07222 5.04981 2.83183 PRESSAVG: 3968200 44.5747 -23.0482 -17.9019 -23.0481 17.6839 -28.249 -17.902 -28.2491 -16.9647 GPRESSAVG: 3968200 43.1723 -21.4528 -19.2104 -23.0798 18.9613 -28.9426 -17.5049 -27.8634 -16.881 TIMING: 3968200 CPU: 11899.8, 0.00305061/step Wall: 11899.8, 0.00305061/step, 0.87434 hours remaining, 205.609375 MB of memory in use. ENERGY: 3968200 745.3063 2071.4275 1956.3656 121.9184 -206607.1733 17969.9912 0.0000 0.0000 34119.3181 -149622.8462 297.9725 -183742.1644 -149533.6247 298.4598 -10.3689 23.7558 558260.1279 15.0979 15.0842 LDB: ============= START OF LOAD BALANCING ============== 11903.2 LDB: ============== END OF LOAD BALANCING =============== 11903.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11903.2 LDB: ============= START OF LOAD BALANCING ============== 11903.5 LDB: Largest compute 4822 load 0.023807 is 20.2% of average load 0.118122 LDB: Average compute 0.001735 is 1.5% of average load 0.118122 LDB: TIME 11903.5 LOAD: AVG 0.118122 MAX 0.215868 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.098 MB LDB: TIME 11903.5 LOAD: AVG 0.118122 MAX 0.215868 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.301 MB LDB: TIME 11903.5 LOAD: AVG 0.118122 MAX 0.215868 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.301 MB LDB: ============== END OF LOAD BALANCING =============== 11903.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11903.5 PRESSURE: 3968400 -180.89 -162.433 -38.4238 -162.433 333.581 -61.074 -38.423 -61.0732 -47.7158 GPRESSURE: 3968400 -79.5459 -124.682 14.3833 -147.443 322.499 -102.943 -61.4562 -66.2638 -48.9972 PRESSAVG: 3968400 -8.76102 -48.0802 19.3927 -48.0801 40.743 47.8447 19.3927 47.8447 -5.26643 GPRESSAVG: 3968400 -7.82197 -47.6585 19.2691 -47.5801 39.8004 48.6869 18.1161 43.4262 -5.66531 TIMING: 3968400 CPU: 11900.4, 0.00309911/step Wall: 11900.4, 0.00309911/step, 0.888068 hours remaining, 205.871094 MB of memory in use. ENERGY: 3968400 740.2732 2134.2115 1925.3419 116.7403 -206467.8409 18008.1828 0.0000 0.0000 33934.3107 -149608.7806 296.3568 -183543.0912 -149515.2403 297.6811 34.9917 64.6521 558426.4615 8.9052 8.7710 PRESSURE: 3968600 -147.991 -156.815 59.702 -156.815 -27.7516 -127.166 59.7027 -127.166 88.5666 GPRESSURE: 3968600 -113.754 -211.934 76.5355 -65.1274 12.6851 -164.817 -0.0333587 1.09397 118.034 PRESSAVG: 3968600 -29.342 -55.4084 -27.2204 -55.4083 34.6373 -1.01761 -27.2204 -1.01749 6.01013 GPRESSAVG: 3968600 -30.1018 -56.3515 -26.1056 -55.2431 35.3557 -0.446648 -27.6414 2.12937 6.24642 TIMING: 3968600 CPU: 11901, 0.00305055/step Wall: 11901, 0.00305055/step, 0.873982 hours remaining, 206.074219 MB of memory in use. ENERGY: 3968600 733.8511 2055.5286 1949.7803 123.3032 -206604.7619 18001.2271 0.0000 0.0000 34201.0443 -149540.0272 298.6862 -183741.0715 -149435.3765 298.2580 -29.0588 5.6548 559223.1399 3.7685 3.8334 PRESSURE: 3968800 196.793 -110.023 -49.3794 -110.023 27.2051 77.7438 -49.3791 77.7444 247.805 GPRESSURE: 3968800 203.292 -102.85 -4.59053 -67.6853 99.1476 96.7908 -54.3071 164.109 251.687 PRESSAVG: 3968800 -51.1974 -18.4176 65.6583 -18.4176 -2.29413 -20.5977 65.6582 -20.5976 -8.77544 GPRESSAVG: 3968800 -51.5565 -18.0472 64.9309 -19.4125 -2.38436 -21.7343 66.9264 -21.4307 -8.19903 TIMING: 3968800 CPU: 11901.6, 0.00305189/step Wall: 11901.6, 0.00305189/step, 0.874197 hours remaining, 206.074219 MB of memory in use. ENERGY: 3968800 734.8518 2191.7083 1971.6973 97.7533 -206833.3320 18188.4147 0.0000 0.0000 34195.0993 -149453.8073 298.6343 -183648.9066 -149355.8723 298.4764 157.2676 184.7088 556882.9934 -20.7557 -20.7133 PRESSURE: 3969000 -109.252 -124.405 -169.581 -124.405 -207.089 61.3996 -169.579 61.3985 76.3399 GPRESSURE: 3969000 -117.984 -138.414 -110.101 -77.007 -97.8991 17.1174 -138.497 95.447 85.759 PRESSAVG: 3969000 11.4855 -6.5737 -34.5314 -6.57371 -4.31223 49.4626 -34.5313 49.4625 -7.69348 GPRESSAVG: 3969000 11.499 -5.28523 -33.4851 -5.5678 -5.02614 49.1652 -36.7237 51.6715 -7.27553 TIMING: 3969000 CPU: 11902.2, 0.00303094/step Wall: 11902.2, 0.00303094/step, 0.868027 hours remaining, 206.074219 MB of memory in use. ENERGY: 3969000 801.2890 2161.1103 1947.0990 108.2789 -206446.8480 17839.7953 0.0000 0.0000 34107.5430 -149481.7325 297.8697 -183589.2755 -149378.2964 299.3354 -80.0004 -43.3748 557267.7284 -0.1734 -0.2676 PRESSURE: 3969200 121.074 151.862 -211.115 151.862 94.9277 38.2307 -211.115 38.2303 -82.4639 GPRESSURE: 3969200 133.85 67.0392 -213.819 187.088 126.25 29.9174 -171.589 -10.6831 -34.9672 PRESSAVG: 3969200 -32.0154 48.2216 -72.2992 48.2216 52.0595 51.1151 -72.2993 51.1152 -45.549 GPRESSAVG: 3969200 -31.783 47.3541 -75.5806 48.2261 53.4199 49.386 -68.017 48.2321 -46.9252 TIMING: 3969200 CPU: 11902.8, 0.00302641/step Wall: 11902.8, 0.00302641/step, 0.866563 hours remaining, 206.074219 MB of memory in use. ENERGY: 3969200 731.9068 2101.9601 1943.3549 125.7042 -206267.4606 17774.9138 0.0000 0.0000 34070.7306 -149518.8901 297.5482 -183589.6207 -149424.0704 298.2959 44.5126 75.0441 556010.1548 -8.5017 -8.4294 PRESSURE: 3969400 -173.522 142.031 -39.6828 142.029 164.353 -34.7117 -39.682 -34.7116 -251.823 GPRESSURE: 3969400 -134.076 119.459 -72.9442 153.135 157.581 -85.3313 -38.3602 -24.6569 -186.532 PRESSAVG: 3969400 14.2678 19.8669 20.8796 19.8669 67.1723 45.0739 20.8796 45.0738 -74.7598 GPRESSAVG: 3969400 14.4083 20.3126 23.7097 18.5608 66.6253 46.9697 19.4506 46.267 -74.4626 TIMING: 3969400 CPU: 11903.5, 0.00305632/step Wall: 11903.5, 0.00305632/step, 0.874958 hours remaining, 206.074219 MB of memory in use. ENERGY: 3969400 808.8989 2155.6363 1946.3504 116.0389 -206454.7386 17898.3316 0.0000 0.0000 34054.7979 -149474.6845 297.4090 -183529.4824 -149385.3908 298.8589 -86.9971 -54.3423 557115.0476 2.2267 2.1903 PRESSURE: 3969600 -1.15098 45.0914 133.8 45.0912 8.38165 67.9277 133.8 67.9284 -46.0284 GPRESSURE: 3969600 18.4634 86.0033 169.648 60.5804 53.1236 20.1735 68.9931 99.6691 -3.74283 PRESSAVG: 3969600 12.5885 25.4334 -16.4008 25.4333 23.8701 38.5468 -16.4007 38.5468 -12.4832 GPRESSAVG: 3969600 12.5683 24.9358 -15.5506 26.7553 23.2395 39.2379 -17.7137 37.9118 -11.9295 TIMING: 3969600 CPU: 11904.1, 0.00302368/step Wall: 11904.1, 0.00302368/step, 0.865444 hours remaining, 206.074219 MB of memory in use. ENERGY: 3969600 719.8846 2095.6708 1955.0596 101.4025 -206195.6533 17784.1020 0.0000 0.0000 34147.8608 -149391.6730 298.2218 -183539.5338 -149290.2530 298.8109 -12.9326 22.6147 557014.2863 7.9918 7.9594 PRESSURE: 3969800 157.108 10.9368 44.7115 10.9364 -241.136 31.2433 44.7105 31.2423 -213.178 GPRESSURE: 3969800 188.293 50.1886 70.9207 17.3696 -216.456 25.7402 -12.0295 -23.9397 -175.931 PRESSAVG: 3969800 29.4383 49.1983 6.40755 49.1982 45.1841 6.1005 6.40751 6.10033 -77.2196 GPRESSAVG: 3969800 29.2564 48.6864 4.13453 49.8545 45.5805 3.38526 5.79936 7.29563 -77.511 TIMING: 3969800 CPU: 11904.7, 0.00305513/step Wall: 11904.7, 0.00305513/step, 0.874276 hours remaining, 206.074219 MB of memory in use. ENERGY: 3969800 729.6331 2156.5150 1930.7982 115.8225 -206215.8937 17667.2869 0.0000 0.0000 34127.6653 -149488.1725 298.0454 -183615.8378 -149391.9576 298.4224 -99.0688 -68.0314 556519.6170 -0.8657 -0.8914 PRESSURE: 3970000 -91.9596 148.358 56.6769 148.358 -413.754 -143.3 56.6773 -143.299 -120.061 GPRESSURE: 3970000 -34.1728 157.119 -3.39638 68.2113 -374.102 -97.9642 82.7857 -123.053 -110.702 PRESSAVG: 3970000 16.5139 16.6557 32.6003 16.6557 11.8136 25.5175 32.6004 25.5175 -12.3304 GPRESSAVG: 3970000 17.0683 17.8358 31.5427 15.449 11.1596 27.6612 35.7518 24.5956 -11.6921 TIMING: 3970000 CPU: 11905.3, 0.0030387/step Wall: 11905.3, 0.0030387/step, 0.869406 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: 3970000 752.0415 2098.2290 1920.5412 108.7794 -205975.3773 17564.5883 0.0000 0.0000 34004.3023 -149526.8955 296.9680 -183531.1979 -149426.0287 298.4887 -208.5916 -172.9925 558316.3140 5.3324 5.5120 PRESSURE: 3970200 -31.4692 -51.5531 83.8177 -51.5539 -203.197 125.743 83.8184 125.744 -363.195 GPRESSURE: 3970200 -14.8509 7.21775 46.3655 -82.9786 -189.805 155.314 189.606 82.9806 -298.46 PRESSAVG: 3970200 -9.40523 0.122351 16.4865 0.122311 0.150638 -18.0701 16.4865 -18.0702 52.1262 GPRESSAVG: 3970200 -9.27454 -0.478946 17.5659 1.9273 -0.155576 -18.0874 14.7689 -16.6968 52.5767 TIMING: 3970200 CPU: 11905.9, 0.00302835/step Wall: 11905.9, 0.00302835/step, 0.866276 hours remaining, 206.074219 MB of memory in use. ENERGY: 3970200 756.4156 2091.1343 1935.0344 115.2940 -205794.3340 17301.4182 0.0000 0.0000 34385.3076 -149209.7300 300.2954 -183595.0376 -149112.7972 299.3980 -199.2868 -167.7056 556041.7661 14.2905 14.3822 PRESSURE: 3970400 -182.181 -108.637 73.2223 -108.637 -70.1956 42.4529 73.2229 42.4528 28.6936 GPRESSURE: 3970400 -120.126 -107.841 53.2844 -112.767 22.7477 45.5241 63.4974 80.3051 -33.6464 PRESSAVG: 3970400 33.4604 18.3149 -9.32905 18.3149 37.6188 -29.8988 -9.32907 -29.8988 -82.3469 GPRESSAVG: 3970400 32.7038 18.9287 -9.72739 16.4423 38.7843 -30.0279 -8.38808 -30.5185 -82.4459 TIMING: 3970400 CPU: 11906.5, 0.00303586/step Wall: 11906.5, 0.00303586/step, 0.868255 hours remaining, 206.074219 MB of memory in use. ENERGY: 3970400 814.2299 2044.5826 1928.2834 103.8410 -206044.9478 17552.8137 0.0000 0.0000 34327.2399 -149273.9572 299.7883 -183601.1972 -149178.6082 299.7916 -74.5610 -43.6750 556237.7132 -3.7559 -3.6526 PRESSURE: 3970600 -296.029 -44.6052 -158.8 -44.6046 8.38595 -50.6174 -158.801 -50.6179 -207.109 GPRESSURE: 3970600 -304.096 -67.355 -105.755 26.3543 50.0018 -30.3132 -151.354 -20.1402 -141.772 PRESSAVG: 3970600 -42.6717 -11.4898 -20.7944 -11.4899 29.6305 -2.26688 -20.7943 -2.2669 -19.6924 GPRESSAVG: 3970600 -40.9547 -10.1899 -19.7972 -12.5581 29.8125 -0.824868 -20.9414 -2.16156 -21.9598 TIMING: 3970600 CPU: 11907.1, 0.00302951/step Wall: 11907.1, 0.00302951/step, 0.866272 hours remaining, 206.074219 MB of memory in use. ENERGY: 3970600 793.6958 2101.0407 1932.3830 111.8564 -206124.0870 17492.2032 0.0000 0.0000 34188.2522 -149504.6558 298.5745 -183692.9080 -149405.4003 299.0895 -164.9170 -131.9553 556305.2920 -10.9112 -11.0340 PRESSURE: 3970800 -56.9805 21.2735 134.954 21.2735 163.685 -48.2466 134.953 -48.2495 17.8275 GPRESSURE: 3970800 -2.83749 -4.06282 175.461 177.774 181.975 -95.3495 125.817 -102.969 47.2021 PRESSAVG: 3970800 -10.9605 -23.764 15.9716 -23.764 0.208247 -56.6163 15.9716 -56.6163 -21.2654 GPRESSAVG: 3970800 -11.7568 -26.2598 15.6151 -22.5121 0.283856 -57.9433 13.7587 -57.0665 -20.225 TIMING: 3970800 CPU: 11907.7, 0.00299303/step Wall: 11907.7, 0.00299303/step, 0.855673 hours remaining, 206.074219 MB of memory in use. ENERGY: 3970800 720.2444 2081.9180 1956.1754 111.5077 -206549.8294 17814.1417 0.0000 0.0000 34428.9757 -149436.8665 300.6768 -183865.8422 -149341.1776 299.0618 41.5107 75.4464 554559.3828 -10.6726 -10.5660 PRESSURE: 3971000 -46.8755 106.506 24.8447 106.505 234.838 -66.4069 24.8449 -66.4048 -73.945 GPRESSURE: 3971000 -22.9519 93.5001 70.0271 119.887 223.539 -68.1895 -42.9664 -42.79 9.46073 PRESSAVG: 3971000 29.3015 -59.8791 22.5912 -59.879 20.4125 -69.4917 22.5911 -69.4917 -4.73669 GPRESSAVG: 3971000 28.6893 -59.4658 22.7958 -59.2629 19.9369 -68.7353 22.1445 -68.6713 -4.18715 TIMING: 3971000 CPU: 11908.3, 0.00300795/step Wall: 11908.3, 0.00300795/step, 0.859772 hours remaining, 206.074219 MB of memory in use. ENERGY: 3971000 719.1040 2100.4462 1926.1715 106.6637 -206714.9087 17975.1441 0.0000 0.0000 34299.7672 -149587.6121 299.5484 -183887.3792 -149488.6117 298.7155 38.0058 70.0160 556627.0476 14.9924 14.8130 PRESSURE: 3971200 -265.542 70.809 232.008 70.8097 138.502 152.031 232.007 152.03 25.0104 GPRESSURE: 3971200 -222.295 34.4648 190.969 78.5291 168.836 130.762 202.251 108.049 49.0587 PRESSAVG: 3971200 -59.743 16.9164 67.7217 16.9163 -26.4587 -0.466085 67.7218 -0.466047 72.9629 GPRESSAVG: 3971200 -59.8723 17.7638 66.6837 18.1603 -26.2648 -1.00435 68.5906 -1.24018 72.8818 TIMING: 3971200 CPU: 11908.9, 0.00303375/step Wall: 11908.9, 0.00303375/step, 0.866979 hours remaining, 206.074219 MB of memory in use. ENERGY: 3971200 730.8528 2105.8262 1946.3574 129.9829 -206310.6418 17724.7450 0.0000 0.0000 34128.5200 -149544.3575 298.0529 -183672.8776 -149452.0782 298.3623 -34.0098 -1.4667 557329.5274 -4.4129 -4.4184 PRESSURE: 3971400 5.7098 83.6876 74.1016 83.6878 -34.2581 36.8744 74.1017 36.8742 -117.755 GPRESSURE: 3971400 -45.5785 68.7021 66.674 58.7879 44.527 8.766 63.0553 39.3163 -38.3114 PRESSAVG: 3971400 57.6134 -18.6415 58.7903 -18.6415 23.8861 15.7449 58.7903 15.7448 -21.2481 GPRESSAVG: 3971400 57.6089 -16.6515 59.8199 -21.5907 24.2313 15.7015 59.4405 16.0888 -21.5846 TIMING: 3971400 CPU: 11909.5, 0.00307651/step Wall: 11909.5, 0.00307651/step, 0.879027 hours remaining, 206.074219 MB of memory in use. ENERGY: 3971400 775.0966 2091.0417 1929.3465 111.4602 -206391.7691 17983.0202 0.0000 0.0000 34205.3240 -149296.4800 298.7236 -183501.8040 -149207.7208 298.7681 -48.7678 -13.1210 557641.1476 20.0838 20.0852 PRESSURE: 3971600 5.58619 -24.8487 -207.968 -24.8484 -171.862 22.9562 -207.969 22.9567 -164.348 GPRESSURE: 3971600 25.6232 -7.90745 -247.449 -52.9995 -132.961 -4.26617 -217.994 39.7627 -119.459 PRESSAVG: 3971600 19.8251 3.42906 -13.4087 3.42903 -26.5568 32.5526 -13.4088 32.5527 -53.4633 GPRESSAVG: 3971600 19.8232 2.19281 -13.6792 5.17464 -28.2536 34.2368 -14.8557 29.8433 -51.6681 TIMING: 3971600 CPU: 11910.1, 0.00308001/step Wall: 11910.1, 0.00308001/step, 0.879857 hours remaining, 206.074219 MB of memory in use. ENERGY: 3971600 787.5915 2115.1618 1921.2168 109.8150 -206279.5917 17712.9905 0.0000 0.0000 34495.6710 -149137.1450 301.2593 -183632.8161 -149046.4524 299.3589 -110.2080 -75.5990 556250.2020 -20.0650 -20.0328 PRESSURE: 3971800 -133.976 -104.25 81.2413 -104.25 191.93 107.258 81.2417 107.257 -127.958 GPRESSURE: 3971800 -76.7127 -93.2671 156.512 -154.604 141.359 96.8271 21.4324 106.73 -39.93 PRESSAVG: 3971800 30.9521 66.9554 39.0179 66.9555 -22.9467 31.9683 39.0179 31.9682 -5.29042 GPRESSAVG: 3971800 32.0364 66.1916 37.4107 66.4908 -22.7431 30.7604 40.4699 33.9149 -6.31839 TIMING: 3971800 CPU: 11910.8, 0.00307518/step Wall: 11910.8, 0.00307518/step, 0.878305 hours remaining, 206.074219 MB of memory in use. ENERGY: 3971800 754.2718 2122.3201 1909.2339 114.8558 -206248.5843 17766.7730 0.0000 0.0000 34474.2614 -149106.8683 301.0723 -183581.1297 -149011.9756 300.0533 -23.3342 8.2388 557733.6117 0.9050 0.9916 PRESSURE: 3972000 -148.871 140.056 17.0737 140.055 -30.5508 83.7605 17.0737 83.7626 103.911 GPRESSURE: 3972000 -65.6297 52.9466 106.506 150.668 -78.2486 101.616 -22.3469 101.835 163.403 PRESSAVG: 3972000 31.6978 39.7695 -24.815 39.7695 -58.9111 76.8731 -24.815 76.8733 -16.8673 GPRESSAVG: 3972000 31.6033 38.1036 -22.169 41.2669 -60.3626 76.6731 -26.993 78.2958 -15.6004 TIMING: 3972000 CPU: 11911.4, 0.00308609/step Wall: 11911.4, 0.00308609/step, 0.881252 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: 3972000 743.1994 2114.1152 1927.8069 99.4163 -206131.9553 17877.8415 0.0000 0.0000 34383.1092 -148986.4668 300.2762 -183369.5760 -148881.5291 299.7764 -25.1700 6.5081 557988.5871 -14.6935 -14.7866 PRESSURE: 3972200 88.1728 -20.0698 15.7278 -20.0722 -289.778 33.827 15.7282 33.8267 -138.441 GPRESSURE: 3972200 148.325 11.8032 86.6626 -14.1294 -284.105 54.3741 -41.7077 105.592 -101.046 PRESSAVG: 3972200 59.9121 -10.2759 22.1081 -10.276 24.6485 52.7215 22.1081 52.7216 -85.1201 GPRESSAVG: 3972200 58.9043 -6.76326 20.4894 -12.2976 26.1303 53.7923 23.5132 50.6522 -86.2909 TIMING: 3972200 CPU: 11912, 0.00308159/step Wall: 11912, 0.00308159/step, 0.879794 hours remaining, 206.074219 MB of memory in use. ENERGY: 3972200 719.5234 2069.3504 1944.2207 110.9742 -205628.7725 17586.9720 0.0000 0.0000 34171.8939 -149025.8379 298.4316 -183197.7318 -148926.8508 299.7309 -113.3487 -78.9421 558816.3674 -0.1865 -0.4188 LDB: ============= START OF LOAD BALANCING ============== 11915.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 11915.4 LDB: =============== DONE WITH MIGRATION ================ 11915.4 LDB: ============= START OF LOAD BALANCING ============== 11915.7 LDB: Largest compute 4822 load 0.024391 is 20.6% of average load 0.118171 LDB: Average compute 0.001732 is 1.5% of average load 0.118171 LDB: TIME 11915.7 LOAD: AVG 0.118171 MAX 0.219233 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.809 MB LDB: TIME 11915.7 LOAD: AVG 0.118171 MAX 0.219233 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.012 MB LDB: TIME 11915.7 LOAD: AVG 0.118171 MAX 0.219233 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11915.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11915.7 PRESSURE: 3972400 136.73 -173.716 15.078 -173.715 -116.297 -32.3908 15.0778 -32.3908 20.22 GPRESSURE: 3972400 181.367 -220.197 -27.7216 -154.228 -148.523 91.6841 30.4074 -105.886 102.796 PRESSAVG: 3972400 9.41153 -4.39105 12.8344 -4.39105 -13.2617 18.3338 12.8344 18.3338 -6.96016 GPRESSAVG: 3972400 9.29451 -6.84685 13.5965 -4.31392 -14.3593 18.596 13.9149 18.0851 -5.91086 TIMING: 3972400 CPU: 11912.6, 0.00310213/step Wall: 11912.6, 0.00310213/step, 0.885485 hours remaining, 206.632812 MB of memory in use. ENERGY: 3972400 762.7682 2125.3471 1951.3972 115.0805 -206189.1133 17878.5128 0.0000 0.0000 34255.4778 -149100.5299 299.1616 -183356.0077 -149006.5233 299.8857 13.5511 45.2132 557791.3239 -3.6034 -3.6586 PRESSURE: 3972600 265.574 -66.2355 200.047 -66.2363 97.1192 97.0738 200.047 97.0742 177.024 GPRESSURE: 3972600 271.143 -41.4773 198.161 -92.1711 154.047 72.5968 206.813 46.7421 219.934 PRESSAVG: 3972600 27.7811 -18.7524 12.2334 -18.7525 -51.1019 -28.6772 12.2335 -28.6773 42.4546 GPRESSAVG: 3972600 28.5665 -16.0212 12.8148 -18.3829 -50.4234 -28.8775 9.32202 -27.2581 41.4266 TIMING: 3972600 CPU: 11913.2, 0.00304629/step Wall: 11913.2, 0.00304629/step, 0.869377 hours remaining, 206.835938 MB of memory in use. ENERGY: 3972600 727.9984 2138.1131 1943.7017 123.9813 -206216.3734 18090.1962 0.0000 0.0000 34142.7570 -149049.6258 298.1772 -183192.3827 -148956.1363 300.0272 179.9058 215.0412 557331.4897 6.3779 6.5233 PRESSURE: 3972800 0.979602 63.2609 4.91258 63.2618 -186.063 -31.415 4.91237 -31.4166 42.1715 GPRESSURE: 3972800 4.306 25.7636 54.2266 39.2937 -124.163 5.90096 -20.9218 -36.4122 74.7182 PRESSAVG: 3972800 -23.4261 30.7069 34.0888 30.7069 14.4349 -57.4718 34.0889 -57.4717 26.8113 GPRESSAVG: 3972800 -22.6198 28.2236 34.4083 30.5872 15.7025 -57.9283 36.7473 -59.0106 24.9513 TIMING: 3972800 CPU: 11913.8, 0.00304809/step Wall: 11913.8, 0.00304809/step, 0.869721 hours remaining, 206.835938 MB of memory in use. ENERGY: 3972800 717.7181 2115.7653 1958.6614 102.5539 -205866.6308 17817.2181 0.0000 0.0000 34170.0459 -148984.6682 298.4155 -183154.7140 -148886.8023 299.3597 -47.6372 -15.0463 558570.5575 5.9400 6.0114 PRESSURE: 3973000 -172.275 19.1545 -85.7606 19.1546 -131.892 58.1724 -85.7605 58.172 64.644 GPRESSURE: 3973000 -120.462 -25.8652 -80.4862 23.3016 -112.301 -23.235 -91.6841 49.1319 109.69 PRESSAVG: 3973000 -2.0019 -8.41038 32.1342 -8.41042 -9.67502 -47.6497 32.1342 -47.6497 38.4506 GPRESSAVG: 3973000 -2.64986 -8.48023 31.6441 -9.85756 -10.4063 -47.8097 31.7622 -46.7075 40.4296 TIMING: 3973000 CPU: 11914.4, 0.0030425/step Wall: 11914.4, 0.0030425/step, 0.867958 hours remaining, 206.835938 MB of memory in use. ENERGY: 3973000 731.4278 2197.7043 1931.6749 107.2165 -205830.2752 17731.7010 0.0000 0.0000 34143.7308 -148986.8197 298.1857 -183130.5505 -148890.5642 299.8129 -79.8408 -41.0245 558907.1890 8.9245 9.1245 PRESSURE: 3973200 147.78 -107.076 -115.908 -107.077 0.406372 -22.8636 -115.908 -22.8635 35.3214 GPRESSURE: 3973200 155.686 -147.735 -115.698 -1.22026 61.2667 22.1753 -61.569 -28.0637 47.3012 PRESSAVG: 3973200 -28.1246 -41.6422 16.136 -41.6422 -18.3517 23.3061 16.136 23.306 29.7108 GPRESSAVG: 3973200 -27.5264 -40.2297 17.2357 -42.2287 -19.2725 21.8509 15.9 24.2126 30.2098 TIMING: 3973200 CPU: 11915, 0.00306406/step Wall: 11915, 0.00306406/step, 0.873939 hours remaining, 206.835938 MB of memory in use. ENERGY: 3973200 736.5797 2115.2142 1946.0663 126.0706 -206028.2433 17796.1875 0.0000 0.0000 34416.0851 -148892.0399 300.5642 -183308.1249 -148790.8524 299.5339 61.1692 88.0847 558891.4396 -5.5885 -5.5297 PRESSURE: 3973400 -145.001 -24.4049 157.752 -24.4059 -28.3496 -55.8751 157.753 -55.8752 -372.11 GPRESSURE: 3973400 -194.418 9.0264 82.4061 -18.6574 13.4894 -87.2454 270.993 -93.7744 -280.165 PRESSAVG: 3973400 -39.2418 -2.50124 30.8888 -2.50112 40.1477 29.5295 30.8887 29.5295 16.1508 GPRESSAVG: 3973400 -39.9912 -2.87899 28.2396 -2.19592 40.7764 31.6005 32.0456 29.1654 16.3233 TIMING: 3973400 CPU: 11915.7, 0.00307762/step Wall: 11915.7, 0.00307762/step, 0.877634 hours remaining, 206.835938 MB of memory in use. ENERGY: 3973400 758.7046 2053.0400 1978.1813 96.9042 -205965.6688 17558.9045 0.0000 0.0000 34411.4896 -149108.4446 300.5241 -183519.9342 -149009.7762 300.5342 -181.8201 -153.6980 557813.4778 5.6855 5.7028 PRESSURE: 3973600 -9.11278 -40.179 -53.0855 -40.1781 2.37594 -55.1368 -53.0865 -55.1376 -219.266 GPRESSURE: 3973600 -17.3955 -33.1611 -109.111 -70.2831 46.7157 8.4762 -81.6766 30.2978 -165.976 PRESSAVG: 3973600 -7.40757 -9.67016 -5.87144 -9.6702 -41.7058 -12.298 -5.87139 -12.298 11.7924 GPRESSAVG: 3973600 -7.46052 -12.6886 -5.51813 -7.49469 -41.0558 -11.589 -5.58243 -12.4112 11.0152 TIMING: 3973600 CPU: 11916.3, 0.00309306/step Wall: 11916.3, 0.00309306/step, 0.881864 hours remaining, 206.835938 MB of memory in use. ENERGY: 3973600 732.9066 2077.2269 1946.1565 116.9796 -205907.8472 17629.1147 0.0000 0.0000 34414.5411 -148990.9217 300.5507 -183405.4629 -148894.8833 299.7365 -75.3344 -45.5519 557748.9963 -12.4403 -12.5004 PRESSURE: 3973800 -22.8091 -31.9368 -43.5099 -31.9349 10.7347 -18.9019 -43.509 -18.902 152.885 GPRESSURE: 3973800 18.0653 -53.7683 -77.441 -17.5079 59.4024 -20.5365 -77.3061 6.26655 156.009 PRESSAVG: 3973800 8.48536 -17.8483 17.3041 -17.8483 -32.0721 22.5204 17.3041 22.5205 11.6313 GPRESSAVG: 3973800 8.02384 -16.8586 17.5698 -16.7697 -31.7271 21.9861 15.489 23.0755 11.8452 TIMING: 3973800 CPU: 11916.9, 0.00305491/step Wall: 11916.9, 0.00305491/step, 0.870819 hours remaining, 206.835938 MB of memory in use. ENERGY: 3973800 772.3258 2100.7483 1940.2274 108.2940 -206299.1836 17942.8487 0.0000 0.0000 34497.0747 -148937.6647 301.2715 -183434.7394 -148841.4822 299.7098 46.9369 77.8257 557368.1623 -3.9852 -3.9527 PRESSURE: 3974000 -109.703 -164.2 71.4397 -164.199 -257.401 -93.8993 71.441 -93.8993 42.1275 GPRESSURE: 3974000 -43.1334 -138.616 66.7084 -118.584 -261.552 -92.4105 39.0898 -60.888 71.9957 PRESSAVG: 3974000 -22.8472 -11.5383 17.9842 -11.5383 -32.4861 -11.6033 17.9841 -11.6032 -7.41282 GPRESSAVG: 3974000 -21.911 -10.6359 17.0563 -11.7255 -34.1121 -10.6683 17.9946 -12.2854 -6.70371 TIMING: 3974000 CPU: 11917.5, 0.00304345/step Wall: 11917.5, 0.00304345/step, 0.867383 hours remaining, 206.835938 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: 3974000 757.1300 2076.3647 1972.5995 113.8618 -205618.2449 17484.0417 0.0000 0.0000 34368.8332 -148845.4141 300.1516 -183214.2473 -148745.7289 299.6397 -108.3253 -77.5632 555571.6965 -20.9154 -20.9089 PRESSURE: 3974200 -295.788 -87.2474 72.0225 -87.2467 197.775 2.69579 72.0217 2.69728 -91.8976 GPRESSURE: 3974200 -217.296 -97.4926 70.446 -87.3184 188.85 -2.56031 -0.796656 34.5444 -62.0079 PRESSAVG: 3974200 -0.813601 -39.1808 53.1193 -39.1807 43.9819 24.8962 53.1194 24.8962 -45.4454 GPRESSAVG: 3974200 -1.23614 -40.1963 54.7685 -41.2703 44.3195 23.672 51.6707 23.3709 -45.8572 TIMING: 3974200 CPU: 11918.1, 0.00302039/step Wall: 11918.1, 0.00302039/step, 0.860643 hours remaining, 206.835938 MB of memory in use. ENERGY: 3974200 752.3389 2066.2822 1936.6325 106.9115 -205446.4418 17504.9034 0.0000 0.0000 34152.8939 -148926.4793 298.2657 -183079.3732 -148827.0534 299.8571 -63.3036 -30.1512 557112.7122 -0.7590 -0.9246 PRESSURE: 3974400 -78.9255 -32.4681 105.578 -32.4686 202.453 8.63728 105.579 8.63698 -38.4552 GPRESSURE: 3974400 -94.0477 -71.708 139.528 -29.8572 202.882 20.5264 72.9934 -19.7792 62.4329 PRESSAVG: 3974400 -98.0871 -41.9234 56.4936 -41.9234 50.7064 5.01893 56.4936 5.01887 -21.1968 GPRESSAVG: 3974400 -97.839 -40.786 56.0321 -39.31 51.0716 5.29871 59.379 4.57895 -21.4587 TIMING: 3974400 CPU: 11918.7, 0.00303151/step Wall: 11918.7, 0.00303151/step, 0.863642 hours remaining, 206.835938 MB of memory in use. ENERGY: 3974400 759.3240 2124.1683 1959.9366 116.3329 -205958.0423 17710.0735 0.0000 0.0000 34452.7159 -148835.4911 300.8841 -183288.2070 -148744.6602 300.0766 28.3575 57.0892 556663.1550 -22.8592 -22.7420 PRESSURE: 3974600 -281.453 0.050396 32.5179 0.0522047 90.9984 -29.4627 32.5167 -29.4624 -41.6161 GPRESSURE: 3974600 -240.266 29.9127 -32.2307 38.6947 151.225 3.70764 53.7647 -83.8829 -51.132 PRESSAVG: 3974600 3.99617 1.56737 -6.18866 1.5675 45.1499 -61.658 -6.18864 -61.658 -53.3111 GPRESSAVG: 3974600 3.87261 1.79904 -4.19694 -1.59561 44.8786 -61.7424 -8.46645 -61.29 -52.8128 TIMING: 3974600 CPU: 11919.3, 0.00303109/step Wall: 11919.3, 0.00303109/step, 0.863356 hours remaining, 206.835938 MB of memory in use. ENERGY: 3974600 754.9642 2041.4725 1936.0017 107.3367 -205569.6241 17498.0790 0.0000 0.0000 34512.9645 -148718.8055 301.4103 -183231.7700 -148613.8060 300.2756 -77.3569 -46.7241 556567.4461 -1.3883 -1.3539 PRESSURE: 3974800 -34.6016 -250.964 95.8773 -250.964 103.945 -24.3301 95.8776 -24.3308 40.7955 GPRESSURE: 3974800 45.4654 -171.697 125.607 -232.873 126.74 -5.49517 173.736 -28.7216 32.0159 PRESSAVG: 3974800 -4.69962 -19.9227 -16.5228 -19.9227 56.5876 -2.31755 -16.5228 -2.31753 -69.3785 GPRESSAVG: 3974800 -4.04722 -19.6227 -16.9416 -19.0732 57.5809 -1.25073 -17.8026 -1.62002 -70.316 TIMING: 3974800 CPU: 11919.9, 0.00303193/step Wall: 11919.9, 0.00303193/step, 0.863428 hours remaining, 206.835938 MB of memory in use. ENERGY: 3974800 793.5274 2092.3484 1957.8855 118.9479 -206202.7427 17852.1130 0.0000 0.0000 34613.0389 -148774.8817 302.2843 -183387.9206 -148676.1619 300.4580 36.7129 68.0738 557627.8094 -5.8302 -5.5941 PRESSURE: 3975000 -26.9409 167.778 35.1835 167.779 -258.377 -89.6923 35.1847 -89.6944 38.5344 GPRESSURE: 3975000 -30.5248 129.458 98.3841 148.678 -210.109 -141.164 68.7987 -106.93 83.6545 PRESSAVG: 3975000 0.709348 -18.5876 -1.18989 -18.5876 -10.3106 12.2417 -1.18989 12.2418 5.38257 GPRESSAVG: 3975000 0.0769604 -19.1967 -0.565582 -19.2887 -9.55762 10.0958 -0.0535838 12.7346 5.60382 TIMING: 3975000 CPU: 11920.5, 0.00302309/step Wall: 11920.5, 0.00302309/step, 0.860742 hours remaining, 206.835938 MB of memory in use. ENERGY: 3975000 780.4132 2105.1182 1944.3613 114.8332 -205886.1391 17819.8648 0.0000 0.0000 34251.3818 -148870.1666 299.1258 -183121.5484 -148776.6080 300.4802 -82.2611 -52.3264 557022.1878 -1.4062 -1.2923 PRESSURE: 3975200 25.9156 86.329 61.243 86.3281 24.1268 48.3362 61.2436 48.3382 -19.0659 GPRESSURE: 3975200 84.7482 164.45 -50.5311 44.5936 67.9385 59.4218 69.4362 34.2907 -16.3398 PRESSAVG: 3975200 32.515 25.9296 9.35969 25.9296 -13.7467 0.978853 9.35973 0.978754 -5.28872 GPRESSAVG: 3975200 34.2369 28.0014 7.78316 26.261 -14.8366 1.3635 9.49057 0.407254 -5.117 TIMING: 3975200 CPU: 11921.1, 0.00302953/step Wall: 11921.1, 0.00302953/step, 0.862407 hours remaining, 206.835938 MB of memory in use. ENERGY: 3975200 737.1325 2086.3113 1949.7134 117.9092 -205846.1590 17796.6133 0.0000 0.0000 34297.8248 -148860.6544 299.5314 -183158.4792 -148769.3743 299.8815 10.3255 45.4490 557433.5810 4.4932 4.7611 PRESSURE: 3975400 -143.653 -137.421 85.5906 -137.421 -258.849 -267.447 85.5911 -267.447 -166.759 GPRESSURE: 3975400 -90.5928 -150.931 56.8089 -116.362 -267.508 -224.963 151.284 -245.79 -120.785 PRESSAVG: 3975400 36.9245 39.0299 58.6099 39.03 -77.0267 -12.8344 58.6099 -12.8344 31.2578 GPRESSAVG: 3975400 37.3201 34.8896 59.7468 40.6545 -76.9465 -10.7209 59.9354 -13.4684 30.3133 TIMING: 3975400 CPU: 11921.7, 0.00304733/step Wall: 11921.7, 0.00304733/step, 0.867304 hours remaining, 206.835938 MB of memory in use. ENERGY: 3975400 733.4516 2105.1668 1996.8454 105.3615 -205538.5873 17321.5878 0.0000 0.0000 34310.3357 -148965.8386 299.6407 -183276.1743 -148875.1277 299.5941 -189.7533 -159.6287 558104.8595 -2.9481 -3.1044 PRESSURE: 3975600 12.1418 74.0908 -85.9386 74.0916 -178.089 38.343 -85.9391 38.3412 128.795 GPRESSURE: 3975600 53.3177 31.2585 -62.4465 183.102 -164.994 64.5744 -137.796 77.5864 175.277 PRESSAVG: 3975600 10.2402 36.4451 27.6176 36.445 15.8909 58.0242 27.6177 58.0242 -4.95828 GPRESSAVG: 3975600 9.13353 39.4591 28.5155 34.1853 17.144 55.6354 26.54 60.1508 -4.89826 TIMING: 3975600 CPU: 11922.4, 0.00305826/step Wall: 11922.4, 0.00305826/step, 0.870245 hours remaining, 206.835938 MB of memory in use. ENERGY: 3975600 768.5259 2049.3898 1953.1467 109.6615 -205617.2440 17465.9433 0.0000 0.0000 34187.2774 -149083.2995 298.5660 -183270.5769 -148989.4108 299.1466 -12.3843 21.2003 557013.6803 7.0576 7.1264 PRESSURE: 3975800 215.04 94.1772 54.5856 94.1764 61.4971 31.131 54.5837 31.1306 -109.366 GPRESSURE: 3975800 210.69 26.3594 -19.2307 180.998 128.022 -30.7756 133.236 46.2076 -84.1322 PRESSAVG: 3975800 41.7715 85.5008 37.711 85.5009 64.3139 8.87656 37.7109 8.87647 -82.9087 GPRESSAVG: 3975800 42.8828 82.0583 38.0865 88.4854 62.9821 11.1435 39.2739 4.89172 -82.4759 TIMING: 3975800 CPU: 11923, 0.00306236/step Wall: 11923, 0.00306236/step, 0.871243 hours remaining, 206.835938 MB of memory in use. ENERGY: 3975800 740.8065 2121.2890 1924.7359 99.7550 -205969.8588 17717.4210 0.0000 0.0000 34276.0323 -149089.8190 299.3411 -183365.8513 -148992.3239 299.3203 55.7236 84.8600 555886.4982 7.7256 7.7963 PRESSURE: 3976000 -16.3593 46.9424 -126.954 46.9435 -51.7057 -46.0843 -126.954 -46.085 -3.55165 GPRESSURE: 3976000 1.97619 34.4341 -72.438 58.6496 13.2249 -81.9192 -209.16 -56.5935 23.5134 PRESSAVG: 3976000 63.4912 62.8547 -40.3455 62.8547 -9.12066 63.8307 -40.3454 63.8306 -56.0067 GPRESSAVG: 3976000 62.1778 64.5387 -42.2477 62.2903 -7.22552 62.3537 -43.0015 64.8505 -55.924 TIMING: 3976000 CPU: 11923.6, 0.00303924/step Wall: 11923.6, 0.00303924/step, 0.864495 hours remaining, 206.835938 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: 3976000 748.0244 2062.5475 1959.4921 119.0161 -206053.0933 17674.3322 0.0000 0.0000 34298.4816 -149191.1995 299.5372 -183489.6811 -149097.3838 299.3032 -23.8722 12.9048 556515.2025 -0.5454 -0.3239 PRESSURE: 3976200 -141.891 50.7995 -114.994 50.7987 7.71902 -67.1453 -114.995 -67.1463 -179.572 GPRESSURE: 3976200 -101.613 36.4622 -178.776 60.4917 68.277 -105.948 -53.1908 -10.8834 -171.772 PRESSAVG: 3976200 0.011076 10.1373 14.3152 10.1373 24.3902 28.8707 14.3152 28.8707 -13.6813 GPRESSAVG: 3976200 0.838735 9.27282 13.2195 10.3622 23.2355 30.5494 15.4606 28.8803 -13.8316 TIMING: 3976200 CPU: 11924.2, 0.0030185/step Wall: 11924.2, 0.0030185/step, 0.858427 hours remaining, 206.835938 MB of memory in use. ENERGY: 3976200 765.5264 2067.3707 1966.3901 111.0710 -205956.4015 17680.6381 0.0000 0.0000 34110.6232 -149254.7819 297.8966 -183365.4051 -149155.0615 298.9262 -104.5814 -68.3694 557745.2627 3.5733 3.4142 LDB: ============= START OF LOAD BALANCING ============== 11927.6 LDB: ============== END OF LOAD BALANCING =============== 11927.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11927.6 LDB: ============= START OF LOAD BALANCING ============== 11927.9 LDB: Largest compute 4822 load 0.023545 is 19.9% of average load 0.118144 LDB: Average compute 0.001730 is 1.5% of average load 0.118144 LDB: TIME 11927.9 LOAD: AVG 0.118144 MAX 0.218237 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.379 MB LDB: TIME 11927.9 LOAD: AVG 0.118144 MAX 0.218237 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.582 MB LDB: TIME 11927.9 LOAD: AVG 0.118144 MAX 0.218237 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.582 MB LDB: ============== END OF LOAD BALANCING =============== 11927.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11927.9 PRESSURE: 3976400 -101.586 -32.6516 235.435 -32.6512 -76.2345 105.993 235.434 105.993 37.2459 GPRESSURE: 3976400 -107.006 -26.0522 216.017 -44.7644 -7.28812 23.726 266.539 168.127 61.9904 PRESSAVG: 3976400 -28.622 21.809 -3.61936 21.809 39.991 42.5312 -3.61932 42.5313 -23.3549 GPRESSAVG: 3976400 -29.0486 22.6888 -2.30846 21.3365 39.8514 40.8382 -5.21474 44.1508 -22.3492 TIMING: 3976400 CPU: 11924.8, 0.00310347/step Wall: 11924.8, 0.00310347/step, 0.88242 hours remaining, 206.574219 MB of memory in use. ENERGY: 3976400 741.3643 2119.0303 1959.3924 116.3934 -206019.7575 17561.1005 0.0000 0.0000 34147.2078 -149375.2687 298.2161 -183522.4765 -149282.2006 298.8740 -46.8582 -17.4346 556842.8913 -3.9953 -3.8488 PRESSURE: 3976600 7.42344 77.5646 18.0924 77.5653 -45.7498 30.2393 18.0914 30.2387 274.839 GPRESSURE: 3976600 70.8723 25.1769 58.5384 104.227 -55.8757 106.79 -59.0435 22.837 313.054 PRESSAVG: 3976600 16.4849 12.375 82.8002 12.375 44.7719 4.295 82.8002 4.29488 -31.6072 GPRESSAVG: 3976600 17.2939 11.9156 84.2884 11.0956 45.04 5.89512 82.5002 2.3849 -32.4371 TIMING: 3976600 CPU: 11925.4, 0.00303823/step Wall: 11925.4, 0.00303823/step, 0.863702 hours remaining, 206.574219 MB of memory in use. ENERGY: 3976600 737.2750 2061.6631 1957.2338 113.3950 -206594.9127 18029.0951 0.0000 0.0000 34440.7998 -149255.4508 300.7801 -183696.2506 -149159.3221 299.3350 78.8374 109.3502 557050.7193 9.8832 9.9656 PRESSURE: 3976800 177.433 -17.2774 -105.466 -17.2777 77.233 -90.8344 -105.466 -90.8333 -186.538 GPRESSURE: 3976800 178.115 75.0293 -113.207 -111.06 147.479 -81.4388 -39.2484 -2.08729 -167.745 PRESSAVG: 3976800 42.5831 -15.7962 -17.455 -15.7962 -30.2641 17.9739 -17.4551 17.9739 -39.587 GPRESSAVG: 3976800 41.8067 -16.4661 -17.6713 -15.1191 -29.5885 16.4646 -15.0745 18.6959 -39.7814 TIMING: 3976800 CPU: 11926, 0.00306066/step Wall: 11926, 0.00306066/step, 0.869909 hours remaining, 206.574219 MB of memory in use. ENERGY: 3976800 729.4165 2114.7632 1953.0922 114.1048 -206248.3966 17826.1416 0.0000 0.0000 34189.5962 -149321.2821 298.5862 -183510.8783 -149223.8338 299.3466 22.7093 52.6164 556992.3469 -9.0893 -9.1877 PRESSURE: 3977000 324.71 -10.2605 -48.6658 -10.2601 -182.868 -98.9718 -48.6654 -98.9729 -98.7566 GPRESSURE: 3977000 328.993 11.0574 66.0752 -18.6478 -152.812 -99.571 -104.226 -162.485 -36.562 PRESSAVG: 3977000 25.6047 -32.192 23.8734 -32.192 16.2921 26.3222 23.8734 26.3222 13.9902 GPRESSAVG: 3977000 26.2907 -31.0809 24.1776 -29.6344 15.9638 27.8577 22.4689 25.0779 14.031 TIMING: 3977000 CPU: 11926.6, 0.00304151/step Wall: 11926.6, 0.00304151/step, 0.864294 hours remaining, 206.574219 MB of memory in use. ENERGY: 3977000 773.6232 2078.7202 1978.4332 103.2346 -206761.3863 18019.4846 0.0000 0.0000 34408.6623 -149399.2282 300.4994 -183807.8905 -149310.3309 299.1998 14.3618 46.5395 557661.9348 18.6290 18.7618 PRESSURE: 3977200 -321.342 181.378 -10.7437 181.377 -232.201 -177.937 -10.7436 -177.938 -159.917 GPRESSURE: 3977200 -284.564 196.095 -48.8312 164.412 -218.339 -107.99 -24.8692 -187.258 -108.353 PRESSAVG: 3977200 38.4753 -9.85105 4.78089 -9.851 -60.1547 -48.2074 4.78082 -48.2075 35.1743 GPRESSAVG: 3977200 38.4694 -10.7444 1.85166 -10.6684 -61.1389 -48.284 7.37777 -46.7723 35.6404 TIMING: 3977200 CPU: 11927.2, 0.00305201/step Wall: 11927.2, 0.00305201/step, 0.867109 hours remaining, 206.574219 MB of memory in use. ENERGY: 3977200 745.8467 2079.0851 1958.5393 112.1780 -205955.6562 17486.1898 0.0000 0.0000 34211.2254 -149362.5920 298.7751 -183573.8174 -149260.2497 298.8814 -237.8198 -203.7521 557807.2348 4.4983 4.3236 PRESSURE: 3977400 -24.2084 -90.374 -58.0086 -90.3731 -104.948 63.7333 -58.0091 63.7335 14.8668 GPRESSURE: 3977400 -3.52155 -38.2098 -14.4997 -101.324 -91.9721 147.609 -83.0658 2.13308 75.3048 PRESSAVG: 3977400 -8.52723 -12.4597 -41.8796 -12.4597 -20.8924 50.0147 -41.8796 50.0146 -16.0525 GPRESSAVG: 3977400 -7.90145 -11.8566 -40.2228 -14.1807 -20.4142 48.3833 -44.9784 51.5161 -17.0637 TIMING: 3977400 CPU: 11927.8, 0.00304834/step Wall: 11927.8, 0.00304834/step, 0.865899 hours remaining, 206.574219 MB of memory in use. ENERGY: 3977400 758.7348 2084.6518 1949.5887 101.8295 -206157.1431 17689.3196 0.0000 0.0000 34073.3818 -149499.6369 297.5713 -183573.0187 -149405.5073 298.3216 -38.0965 -6.7296 555214.1651 -15.1574 -15.1265 PRESSURE: 3977600 111.844 -160.003 -53.7022 -160.004 94.5121 -71.8988 -53.7035 -71.8981 86.4109 GPRESSURE: 3977600 137.396 -76.6281 -75.3271 -113.686 72.3944 -190.168 -8.11745 -73.1996 166.853 PRESSAVG: 3977600 39.1311 -22.2611 -27.6278 -22.2612 -58.1439 -19.7629 -27.6279 -19.7629 30.081 GPRESSAVG: 3977600 37.4905 -21.8648 -26.2022 -22.3937 -57.5421 -20.4644 -27.2443 -19.0478 31.3704 TIMING: 3977600 CPU: 11928.5, 0.00306835/step Wall: 11928.5, 0.00306835/step, 0.871412 hours remaining, 206.574219 MB of memory in use. ENERGY: 3977600 729.4697 2075.7424 1952.9032 116.0126 -206244.8727 17782.8781 0.0000 0.0000 34096.8930 -149490.9737 297.7766 -183587.8667 -149392.2595 299.1520 97.5890 125.5476 556819.0790 3.6894 3.7729 PRESSURE: 3977800 83.6473 52.8564 25.1037 52.857 292.496 114.127 25.1024 114.127 177.37 GPRESSURE: 3977800 111.202 8.80982 14.8903 37.3046 339.075 130.541 87.7544 73.77 188.386 PRESSAVG: 3977800 -3.37646 -18.9998 -13.2758 -18.9998 -32.9143 2.58889 -13.2757 2.58879 3.03581 GPRESSAVG: 3977800 -3.00867 -18.9524 -13.5627 -19.6809 -34.908 2.91534 -12.8914 1.15911 4.85465 TIMING: 3977800 CPU: 11929.1, 0.00309811/step Wall: 11929.1, 0.00309811/step, 0.879692 hours remaining, 206.574219 MB of memory in use. ENERGY: 3977800 743.3251 2117.6192 1947.3848 106.0764 -206825.5860 18091.1416 0.0000 0.0000 34361.9088 -149458.1300 300.0911 -183820.0388 -149356.2821 299.2263 184.5043 212.8879 555938.7841 -11.0850 -11.0207 PRESSURE: 3978000 256.265 240.811 42.0823 240.81 219.614 -100.268 42.0817 -100.266 221.668 GPRESSURE: 3978000 340.536 257.449 43.2806 265.329 214.216 -217.368 -25.2302 -88.2899 243.143 PRESSAVG: 3978000 6.31631 23.9316 13.941 23.9317 55.5825 56.043 13.9411 56.043 -56.8931 GPRESSAVG: 3978000 6.69267 21.7058 13.5805 26.2651 55.825 54.9435 15.1349 56.2537 -57.8818 TIMING: 3978000 CPU: 11929.7, 0.00310082/step Wall: 11929.7, 0.00310082/step, 0.880288 hours remaining, 206.574219 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: 3978000 729.5748 2096.8617 1952.0482 126.4408 -206823.7091 18115.2491 0.0000 0.0000 34214.9932 -149588.5411 298.8080 -183803.5343 -149495.4176 298.5050 232.5157 265.9648 555716.9223 1.6686 1.5453 PRESSURE: 3978200 186.827 -3.79275 29.4275 -3.79314 -42.4974 -70.065 29.4276 -70.0659 107.988 GPRESSURE: 3978200 206.034 81.0581 -56.7457 -0.905515 33.6475 -124.098 35.0199 -95.6855 106.118 PRESSAVG: 3978200 9.50868 -2.60993 1.47804 -2.60996 14.7985 4.93165 1.47805 4.93176 -23.7501 GPRESSAVG: 3978200 9.58584 0.0614146 2.93696 -3.94036 15.7319 7.02658 1.18412 1.85016 -25.0148 TIMING: 3978200 CPU: 11930.3, 0.00313747/step Wall: 11930.3, 0.00313747/step, 0.890517 hours remaining, 206.574219 MB of memory in use. ENERGY: 3978200 720.6178 2092.8528 1949.4627 120.8261 -206685.0307 18059.6455 0.0000 0.0000 34217.3496 -149524.2762 298.8286 -183741.6258 -149427.1478 298.5102 84.1057 115.2667 558256.2247 0.1857 0.1010 PRESSURE: 3978400 -167.269 145.147 -122.07 145.149 -35.9529 -69.3835 -122.07 -69.3847 -83.7093 GPRESSURE: 3978400 -93.0339 98.1121 -93.7984 200.03 -13.2754 -48.1832 -68.7815 -50.687 -79.9 PRESSAVG: 3978400 31.3263 -15.2034 -7.62695 -15.2035 -26.5458 -17.1645 -7.62698 -17.1646 -15.1051 GPRESSAVG: 3978400 32.3715 -14.9494 -10.0695 -13.3957 -27.6336 -16.7588 -6.41965 -15.5878 -14.9779 TIMING: 3978400 CPU: 11930.9, 0.00311331/step Wall: 11930.9, 0.00311331/step, 0.883489 hours remaining, 206.574219 MB of memory in use. ENERGY: 3978400 783.5765 2098.0622 1939.1721 117.8470 -206346.8773 17781.8249 0.0000 0.0000 34160.9000 -149465.4947 298.3356 -183626.3947 -149366.9612 298.7450 -95.6439 -62.0698 558232.5383 -3.4415 -3.4133 PRESSURE: 3978600 104.609 17.2507 115.333 17.2508 -193.147 31.424 115.334 31.4234 -277.736 GPRESSURE: 3978600 115.097 12.0044 184.316 -29.7286 -141.923 1.47231 101.241 72.3244 -250.468 PRESSAVG: 3978600 -53.5157 -18.3749 -4.90121 -18.3749 25.5357 17.0775 -4.90124 17.0774 -11.9433 GPRESSAVG: 3978600 -53.5468 -20.3419 -0.91783 -19.8566 26.1985 18.3695 -8.52308 16.239 -12.6671 TIMING: 3978600 CPU: 11931.6, 0.00308524/step Wall: 11931.6, 0.00308524/step, 0.875351 hours remaining, 206.628906 MB of memory in use. ENERGY: 3978600 778.6509 2081.4160 1898.0743 120.7559 -206511.3863 17867.1131 0.0000 0.0000 34312.0752 -149453.3009 299.6559 -183765.3761 -149356.6627 298.6978 -122.0912 -92.4315 557754.5866 -13.3078 -13.3385 PRESSURE: 3978800 42.9839 47.1627 113.998 47.1618 -193.983 93.4522 113.999 93.452 -56.9183 GPRESSURE: 3978800 109.52 -4.30456 144.45 80.2856 -175.989 57.0518 139.879 121.728 -40.1866 PRESSAVG: 3978800 -42.4041 25.945 7.75235 25.9451 72.9827 -14.3913 7.75232 -14.3914 -12.0242 GPRESSAVG: 3978800 -43.365 25.4345 5.7415 26.7959 72.9128 -16.1034 10.8827 -14.2717 -11.2673 TIMING: 3978800 CPU: 11932.2, 0.00304727/step Wall: 11932.2, 0.00304727/step, 0.864409 hours remaining, 206.628906 MB of memory in use. ENERGY: 3978800 762.5293 2113.7226 1963.2600 114.9483 -206608.5281 17854.3698 0.0000 0.0000 34364.0951 -149435.6032 300.1102 -183799.6983 -149331.6759 299.1318 -69.3058 -35.5517 556193.5361 6.1848 6.0935 PRESSURE: 3979000 -37.5562 -66.8064 -57.9301 -66.8064 -82.9957 -159.339 -57.9311 -159.339 -68.745 GPRESSURE: 3979000 8.34867 -19.0359 -0.2907 -125.235 -62.7695 -213.021 -63.7787 -41.1342 -40.4485 PRESSAVG: 3979000 45.9461 -14.6398 -6.43996 -14.6398 18.2059 5.61455 -6.43995 5.61471 -42.2786 GPRESSAVG: 3979000 45.0474 -13.3199 -7.17879 -15.3354 18.9862 3.49614 -6.32568 7.53478 -42.6565 TIMING: 3979000 CPU: 11932.8, 0.00304627/step Wall: 11932.8, 0.00304627/step, 0.863956 hours remaining, 206.628906 MB of memory in use. ENERGY: 3979000 760.6721 2094.2777 1938.2680 106.7420 -206180.8850 17696.4328 0.0000 0.0000 34046.1039 -149538.3885 297.3331 -183584.4924 -149442.5503 298.6459 -63.0989 -31.6231 556635.1757 7.2912 7.1257 PRESSURE: 3979200 -67.7426 143.526 -0.917574 143.526 70.3601 -176.053 -0.918115 -176.053 -8.01061 GPRESSURE: 3979200 -23.0253 153.392 37.3667 141.932 102.874 -151.294 62.3672 -193.307 -0.128068 PRESSAVG: 3979200 23.6967 2.297 15.3042 2.29695 24.4153 27.5538 15.3043 27.5538 -43.6289 GPRESSAVG: 3979200 23.8287 2.91515 16.5795 1.3119 24.0637 30.4339 14.245 26.1505 -43.7724 TIMING: 3979200 CPU: 11933.4, 0.00305356/step Wall: 11933.4, 0.00305356/step, 0.865855 hours remaining, 206.679688 MB of memory in use. ENERGY: 3979200 725.6973 2035.2095 1973.2213 139.5776 -206080.9959 17704.0229 0.0000 0.0000 33843.4821 -149659.7853 295.5635 -183503.2674 -149562.6216 297.6966 -1.7977 26.5736 557120.3331 1.4944 1.3733 PRESSURE: 3979400 -34.7534 -11.0065 36.5561 -11.0081 136.929 35.0247 36.557 35.0231 34.604 GPRESSURE: 3979400 -52.1351 -68.279 50.8596 -16.9421 230.713 68.8612 -59.9936 34.3862 51.6556 PRESSAVG: 3979400 -42.5593 -15.2551 4.25382 -15.2551 45.1416 56.7043 4.25386 56.7043 9.32809 GPRESSAVG: 3979400 -41.4827 -16.9252 2.46389 -12.7439 45.4198 56.1894 3.94742 57.8886 7.54253 TIMING: 3979400 CPU: 11934, 0.00305248/step Wall: 11934, 0.00305248/step, 0.865378 hours remaining, 206.679688 MB of memory in use. ENERGY: 3979400 726.4449 2126.4746 1948.8446 124.2571 -206444.3061 17901.7670 0.0000 0.0000 34244.1671 -149372.3508 299.0628 -183616.5179 -149269.5258 298.9679 45.5933 76.7447 557062.1621 3.9701 3.8265 PRESSURE: 3979600 -200.811 125.118 202.565 125.118 -82.3719 129.763 202.565 129.764 -520.447 GPRESSURE: 3979600 -205.039 48.657 197.136 140.242 -60.1352 108.319 187.513 88.9583 -431.355 PRESSAVG: 3979600 21.0453 20.8686 -28.3006 20.8686 -8.95945 -6.58864 -28.3005 -6.5888 -6.11175 GPRESSAVG: 3979600 21.5033 22.0232 -27.1267 20.3024 -10.701 -7.79854 -26.9185 -7.47634 -5.07811 TIMING: 3979600 CPU: 11934.6, 0.0030564/step Wall: 11934.6, 0.0030564/step, 0.866321 hours remaining, 206.679688 MB of memory in use. ENERGY: 3979600 749.3644 2070.4867 1938.4515 106.4482 -206089.3477 17718.3802 0.0000 0.0000 34097.8104 -149408.4065 297.7847 -183506.2169 -149312.2688 298.3201 -267.8767 -232.1764 560247.9024 1.9914 1.9080 PRESSURE: 3979800 239.697 142.992 -86.6501 142.993 144.849 93.6395 -86.651 93.6391 96.6437 GPRESSURE: 3979800 285.848 141.262 -153.677 87.4144 134.068 111.423 -136.257 106.761 156.882 PRESSAVG: 3979800 3.40731 -28.2582 -28.6133 -28.2583 -55.8033 -57.3095 -28.6132 -57.3095 35.5637 GPRESSAVG: 3979800 2.64228 -26.4315 -28.6103 -28.6145 -55.8124 -57.7447 -29.4054 -55.5259 36.0937 TIMING: 3979800 CPU: 11935.2, 0.00308253/step Wall: 11935.2, 0.00308253/step, 0.873555 hours remaining, 206.679688 MB of memory in use. ENERGY: 3979800 740.4494 2129.6651 1923.1409 121.0852 -206866.0262 18236.9654 0.0000 0.0000 34269.8226 -149444.8974 299.2869 -183714.7201 -149355.6290 298.1787 160.3966 192.2659 557622.4818 -5.6108 -5.6922 PRESSURE: 3980000 89.115 -28.2651 -65.1444 -28.2655 -295.566 19.0331 -65.1442 19.0358 11.7741 GPRESSURE: 3980000 82.6194 -13.2663 79.4234 -153.317 -245.907 -28.3054 -127.496 -18.4679 62.4962 PRESSAVG: 3980000 3.90507 73.2217 -32.4372 73.2216 4.22657 30.5486 -32.4372 30.5487 -22.0699 GPRESSAVG: 3980000 3.77416 73.0759 -32.6883 70.4419 4.25997 31.85 -33.654 29.1286 -22.2536 TIMING: 3980000 CPU: 11935.9, 0.003086/step Wall: 11935.9, 0.003086/step, 0.874367 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: 3980000 768.1699 2133.8233 1952.6502 122.3612 -206392.9652 17956.5664 0.0000 0.0000 34137.5830 -149321.8111 298.1320 -183459.3941 -149212.0559 299.0583 -64.8923 -33.5972 559526.6075 -4.6461 -4.7398 PRESSURE: 3980200 -27.6447 -14.541 47.8556 -14.5419 -182.135 -27.4927 47.8544 -27.4925 -238.493 GPRESSURE: 3980200 -15.5335 15.8221 40.8289 34.1932 -174.464 18.366 -3.88804 -70.9837 -154.836 PRESSAVG: 3980200 29.5599 29.9787 26.8662 29.9787 -14.5328 50.8337 26.8662 50.8336 -33.5505 GPRESSAVG: 3980200 31.1889 26.1224 28.0801 33.146 -15.1458 51.0507 28.0162 50.1343 -34.0128 TIMING: 3980200 CPU: 11936.5, 0.00304449/step Wall: 11936.5, 0.00304449/step, 0.862435 hours remaining, 206.679688 MB of memory in use. ENERGY: 3980200 760.8533 2106.7248 1962.5240 103.6413 -206326.4628 17758.3521 0.0000 0.0000 34433.6981 -149200.6692 300.7180 -183634.3673 -149098.3938 299.0047 -149.4239 -114.9443 557730.5918 -6.1745 -5.9899 LDB: ============= START OF LOAD BALANCING ============== 11939.9 LDB: ============== END OF LOAD BALANCING =============== 11939.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11939.9 LDB: ============= START OF LOAD BALANCING ============== 11940.2 LDB: Largest compute 4822 load 0.024185 is 20.5% of average load 0.118141 LDB: Average compute 0.001729 is 1.5% of average load 0.118141 LDB: TIME 11940.2 LOAD: AVG 0.118141 MAX 0.221584 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.852 MB LDB: TIME 11940.2 LOAD: AVG 0.118141 MAX 0.221584 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: TIME 11940.2 LOAD: AVG 0.118141 MAX 0.221584 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11940.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11940.2 PRESSURE: 3980400 -13.5224 117.242 161.441 117.243 141.34 99.9815 161.44 99.9815 184.962 GPRESSURE: 3980400 31.8124 122.093 227.32 61.0811 138.274 128.706 156.767 41.9744 239.899 PRESSAVG: 3980400 46.6683 36.9551 -15.3351 36.9552 -75.4889 -13.1838 -15.3351 -13.1838 -31.6217 GPRESSAVG: 3980400 45.1401 39.9391 -17.5869 36.0497 -75.2593 -15.0853 -14.9321 -12.0787 -30.4041 TIMING: 3980400 CPU: 11937.1, 0.00310511/step Wall: 11937.1, 0.00310511/step, 0.879435 hours remaining, 205.230469 MB of memory in use. ENERGY: 3980400 736.0561 2131.2724 1936.6500 97.9819 -206366.3581 17923.4509 0.0000 0.0000 34268.1574 -149272.7894 299.2723 -183540.9468 -149174.1176 299.1296 104.2598 136.6618 556779.1851 -20.1474 -20.1744 PRESSURE: 3980600 -233.995 -18.3653 -104.878 -18.3686 36.2349 58.3215 -104.878 58.3215 298.977 GPRESSURE: 3980600 -220.718 -6.29859 -173.158 -81.6125 111.012 14.1832 -128.096 74.3328 300.73 PRESSAVG: 3980600 -27.9037 19.9485 13.4746 19.9485 -14.6312 23.257 13.4747 23.257 34.9754 GPRESSAVG: 3980600 -28.7341 19.2987 15.3774 18.3392 -13.2508 25.0603 13.7083 23.8484 34.6196 TIMING: 3980600 CPU: 11937.7, 0.00306161/step Wall: 11937.7, 0.00306161/step, 0.866945 hours remaining, 205.230469 MB of memory in use. ENERGY: 3980600 763.7524 2110.7270 1934.4707 122.3017 -206371.6749 17904.2335 0.0000 0.0000 34368.1844 -149168.0053 300.1459 -183536.1897 -149069.9285 299.8438 33.7391 63.6745 556524.8592 -2.5199 -2.4551 PRESSURE: 3980800 -2.37155 -14.3437 -46.1426 -14.3425 -10.241 -11.5816 -46.1417 -11.5805 79.6881 GPRESSURE: 3980800 77.6201 -12.019 -91.934 -20.8278 -9.74418 2.48227 -7.782 5.83092 99.1031 PRESSAVG: 3980800 10.4094 -5.68682 -3.43518 -5.68672 0.435834 -27.8744 -3.43503 -27.8745 -4.49877 GPRESSAVG: 3980800 12.6451 -5.59441 -2.66231 -4.59218 -1.29534 -26.7065 -4.03979 -29.5581 -4.54542 TIMING: 3980800 CPU: 11938.3, 0.00304567/step Wall: 11938.3, 0.00304567/step, 0.862264 hours remaining, 205.230469 MB of memory in use. ENERGY: 3980800 786.3233 2128.2525 1945.0898 108.8468 -206269.5974 17793.1463 0.0000 0.0000 34300.5618 -149207.3768 299.5553 -183507.9386 -149109.4172 299.6992 22.3585 55.6597 556288.4623 2.1155 2.2681 PRESSURE: 3981000 -100.468 -5.25764 -34.8437 -5.25652 112.892 181.034 -34.8437 181.033 -176.216 GPRESSURE: 3981000 -33.5189 13.6768 -110.772 5.30053 109.269 157.502 10.8537 175.316 -141.293 PRESSAVG: 3981000 94.0841 -10.5312 -74.4449 -10.5311 -63.9828 30.6806 -74.4448 30.6806 -11.8665 GPRESSAVG: 3981000 92.5511 -8.74393 -76.1294 -9.43257 -61.7566 28.402 -72.1116 32.7558 -12.7978 TIMING: 3981000 CPU: 11938.9, 0.00306713/step Wall: 11938.9, 0.00306713/step, 0.868168 hours remaining, 205.230469 MB of memory in use. ENERGY: 3981000 728.6296 2174.1146 1948.9716 113.3525 -205925.6599 17555.5818 0.0000 0.0000 34234.9467 -149170.0630 298.9823 -183405.0097 -149064.3998 299.9936 -54.5972 -21.8476 555660.9619 6.0783 5.9989 PRESSURE: 3981200 68.4616 -40.8452 -80.6188 -40.8441 -367.91 21.5312 -80.6189 21.5318 -234.004 GPRESSURE: 3981200 113.36 -34.3866 -39.8532 -43.4948 -358.463 63.3344 -75.3439 101.935 -201.628 PRESSAVG: 3981200 59.4494 13.067 -54.1476 13.067 4.89495 60.3818 -54.1476 60.3819 3.3672 GPRESSAVG: 3981200 59.7914 11.9219 -54.2597 12.9074 4.18573 60.6691 -55.1245 59.166 3.40522 TIMING: 3981200 CPU: 11939.5, 0.00304514/step Wall: 11939.5, 0.00304514/step, 0.861774 hours remaining, 205.230469 MB of memory in use. ENERGY: 3981200 743.0674 2121.6408 1938.0871 112.3073 -205823.8580 17410.4352 0.0000 0.0000 34400.3991 -149097.9211 300.4272 -183498.3201 -148999.7329 299.6919 -177.8174 -148.9104 554935.4444 22.5705 22.4608 PRESSURE: 3981400 179.718 -28.8055 127.72 -28.8062 269.486 -61.1064 127.718 -61.1071 -126.924 GPRESSURE: 3981400 185.239 -21.58 107.268 -25.3333 305.408 -57.8552 148.887 -115.536 -71.2359 PRESSAVG: 3981400 -55.3312 8.48423 29.794 8.48437 79.055 21.2739 29.7939 21.2739 -27.7519 GPRESSAVG: 3981400 -55.9742 8.42885 29.3624 7.15424 79.197 22.1893 28.2985 22.5287 -27.6263 TIMING: 3981400 CPU: 11940.1, 0.00304829/step Wall: 11940.1, 0.00304829/step, 0.862498 hours remaining, 205.230469 MB of memory in use. ENERGY: 3981400 742.5363 2110.0698 1955.1477 111.0666 -206323.3134 17912.9255 0.0000 0.0000 34405.9532 -149085.6143 300.4757 -183491.5675 -148988.3200 299.2451 107.4263 139.8035 555715.8001 -1.3427 -1.4678 PRESSURE: 3981600 282.248 17.3301 85.8515 17.3292 255.052 -35.1309 85.8504 -35.132 -16.2468 GPRESSURE: 3981600 278.703 43.1291 51.6816 1.04276 274.657 -44.7821 55.281 -40.9039 63.7902 PRESSAVG: 3981600 31.593 16.5966 -39.9456 16.5966 30.4588 34.7639 -39.9455 34.764 -22.0275 GPRESSAVG: 3981600 32.6461 17.8019 -39.2337 15.2689 29.6479 33.5352 -39.3101 33.0423 -21.6489 TIMING: 3981600 CPU: 11940.7, 0.0030605/step Wall: 11940.7, 0.0030605/step, 0.865782 hours remaining, 205.230469 MB of memory in use. ENERGY: 3981600 728.6613 2138.6679 1953.4008 119.8017 -206218.5780 17880.9728 0.0000 0.0000 34333.9311 -149063.1424 299.8468 -183397.0736 -148964.2596 300.6296 173.6845 205.7168 556286.7368 13.3414 13.5484 PRESSURE: 3981800 -223.397 -14.2378 8.99908 -14.2372 -6.08131 -32.9239 8.99928 -32.9254 46.163 GPRESSURE: 3981800 -194.852 91.9939 100.845 -11.6105 11.6795 -35.0275 1.32181 -30.7466 101.517 PRESSAVG: 3981800 -17.4307 14.313 -26.3601 14.313 33.712 30.8591 -26.36 30.859 11.651 GPRESSAVG: 3981800 -16.814 13.9366 -25.9717 14.4842 33.493 32.1811 -27.0362 32.5442 11.5896 TIMING: 3981800 CPU: 11941.4, 0.0030696/step Wall: 11941.4, 0.0030696/step, 0.868184 hours remaining, 205.230469 MB of memory in use. ENERGY: 3981800 777.1804 2083.1403 1978.5627 114.1329 -206099.1843 17568.7443 0.0000 0.0000 34409.8851 -149167.5386 300.5101 -183577.4237 -149070.8300 299.6795 -61.1051 -27.2184 555258.4027 9.3108 9.4228 PRESSURE: 3982000 -4.433 6.9748 -18.1622 6.97497 87.8214 124.812 -18.1619 124.812 3.35122 GPRESSURE: 3982000 22.311 -48.3998 -16.7476 49.7117 158.636 95.3043 28.1228 121.94 14.8908 PRESSAVG: 3982000 23.0423 -6.24993 13.5133 -6.24997 45.1225 21.4872 13.5133 21.4873 -36.5213 GPRESSAVG: 3982000 22.361 -7.65259 13.4828 -4.01649 45.855 19.5906 15.5307 20.0229 -36.5218 TIMING: 3982000 CPU: 11942, 0.00308754/step Wall: 11942, 0.00308754/step, 0.873088 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: 3982000 768.8514 2103.4149 1911.6417 102.7435 -206454.3444 17931.6187 0.0000 0.0000 34324.1698 -149311.9044 299.7615 -183636.0742 -149219.7755 299.4846 28.9132 65.2792 555734.9375 10.5478 10.5647 PRESSURE: 3982200 -80.8566 -48.0143 175.958 -48.014 -70.9582 122.575 175.958 122.574 -103.193 GPRESSURE: 3982200 -78.4404 -91.5437 137.938 8.6148 22.4199 120.706 168.678 153.224 -103.233 PRESSAVG: 3982200 -29.5401 -15.0134 3.73717 -15.0134 49.2288 30.262 3.73719 30.2622 -25.6568 GPRESSAVG: 3982200 -30.0613 -14.945 3.83024 -14.354 49.4575 29.7893 2.85999 31.3278 -25.7826 TIMING: 3982200 CPU: 11942.6, 0.0031043/step Wall: 11942.6, 0.0031043/step, 0.877654 hours remaining, 205.230469 MB of memory in use. ENERGY: 3982200 758.8639 2138.7164 1947.4984 116.8759 -205891.3024 17541.2045 0.0000 0.0000 34111.8033 -149276.3399 297.9069 -183388.1432 -149184.4708 299.1290 -85.0027 -53.0844 555838.2193 -1.9894 -2.1288 PRESSURE: 3982400 -262.714 52.6715 -52.4403 52.6728 -51.9395 -24.0644 -52.4424 -24.0654 -196.908 GPRESSURE: 3982400 -225.161 -18.4517 -72.9556 70.3347 -38.5576 -43.9176 -54.7376 13.8111 -150.989 PRESSAVG: 3982400 -33.02 -10.0624 11.2255 -10.0624 -8.01781 47.9601 11.2256 47.9602 34.5429 GPRESSAVG: 3982400 -32.4846 -8.14929 12.8455 -12.0446 -8.25711 48.7512 10.8583 48.8197 34.4578 TIMING: 3982400 CPU: 11943.2, 0.00305831/step Wall: 11943.2, 0.00305831/step, 0.864484 hours remaining, 205.230469 MB of memory in use. ENERGY: 3982400 753.4730 2096.3565 1915.2502 108.8820 -206006.9157 17585.8051 0.0000 0.0000 34145.9086 -149401.2403 298.2047 -183547.1489 -149299.8061 298.7916 -170.5207 -138.2361 556189.7175 -2.1650 -2.0946 PRESSURE: 3982600 148.5 47.7373 -24.0531 47.7384 211.702 -65.9182 -24.0526 -65.9179 92.9754 GPRESSURE: 3982600 194.01 -12.6863 9.23371 25.1849 266.594 -43.3523 -42.2164 -86.2517 85.3268 PRESSAVG: 3982600 41.3028 -45.8681 52.4489 -45.8682 -20.9509 25.7188 52.4489 25.7189 -20.5628 GPRESSAVG: 3982600 40.7124 -46.8391 50.2027 -45.5372 -20.1938 26.8877 53.3198 23.2737 -20.9248 TIMING: 3982600 CPU: 11943.8, 0.00306098/step Wall: 11943.8, 0.00306098/step, 0.865066 hours remaining, 205.230469 MB of memory in use. ENERGY: 3982600 773.2678 2090.9641 1957.4577 125.6804 -206374.7112 17866.9061 0.0000 0.0000 34241.5880 -149318.8471 299.0403 -183560.4351 -149220.1345 298.5068 151.0590 181.9770 555016.2263 -0.0703 -0.1354 PRESSURE: 3982800 166.457 -55.0562 -142.822 -55.056 284.626 -64.0522 -142.822 -64.0515 16.24 GPRESSURE: 3982800 235.334 -72.0538 -181.541 -79.4005 261.519 -39.8309 -119.798 -133.572 63.9822 PRESSAVG: 3982800 -54.0843 -39.7449 -39.7375 -39.7449 56.4247 43.0807 -39.7375 43.0807 -19.6418 GPRESSAVG: 3982800 -53.5044 -41.3403 -37.471 -39.3838 55.5259 41.5288 -41.4993 43.5662 -19.0276 TIMING: 3982800 CPU: 11944.4, 0.00306694/step Wall: 11944.4, 0.00306694/step, 0.866582 hours remaining, 205.230469 MB of memory in use. ENERGY: 3982800 750.5091 2107.7308 1941.4091 114.3843 -206047.7460 17835.3462 0.0000 0.0000 34149.4567 -149148.9097 298.2357 -183298.3664 -149051.0630 299.0223 155.7745 186.9451 556940.7034 -5.7672 -5.6687 PRESSURE: 3983000 -171.377 68.8835 -185.389 68.8839 216.3 19.236 -185.389 19.2347 -23.5571 GPRESSURE: 3983000 -196.278 87.6118 -146.053 81.4956 307.411 -102.159 -206.935 74.5224 15.3423 PRESSAVG: 3983000 -3.13237 -0.411957 -3.17788 -0.41199 37.6716 13.8629 -3.17784 13.8629 10.7526 GPRESSAVG: 3983000 -3.11755 1.35428 -4.32166 1.26492 38.4167 14.0108 -2.13785 14.8445 10.3065 TIMING: 3983000 CPU: 11945, 0.00305903/step Wall: 11945, 0.00305903/step, 0.864175 hours remaining, 205.230469 MB of memory in use. ENERGY: 3983000 759.8541 2048.5342 1933.8492 112.1459 -206362.1703 17841.8574 0.0000 0.0000 34505.5218 -149160.4078 301.3453 -183665.9296 -149064.6203 299.1512 7.1221 42.1584 558194.9533 15.0973 15.2019 PRESSURE: 3983200 -150.816 61.0563 -32.6807 61.0564 -86.3004 -133.258 -32.6822 -133.258 -73.0318 GPRESSURE: 3983200 -126.865 127.865 -25.1721 83.3895 -22.5314 -137.732 23.4364 -146.766 -60.4039 PRESSAVG: 3983200 -35.3412 29.7767 -43.3706 29.7766 31.7958 -17.468 -43.3706 -17.4679 6.38719 GPRESSAVG: 3983200 -35.7599 30.317 -41.5945 27.8473 31.3544 -16.6359 -43.8752 -18.3379 7.26405 TIMING: 3983200 CPU: 11945.7, 0.00307447/step Wall: 11945.7, 0.00307447/step, 0.868368 hours remaining, 205.230469 MB of memory in use. ENERGY: 3983200 730.4468 2094.5318 1962.2868 122.5463 -205971.2286 17581.7018 0.0000 0.0000 34159.8907 -149319.8242 298.3268 -183479.7149 -149220.3134 299.3911 -103.3826 -69.9334 557944.2081 0.9473 0.9529 PRESSURE: 3983400 -244.198 93.4971 -28.5635 93.4972 -201.661 72.6013 -28.5637 72.6011 -52.5131 GPRESSURE: 3983400 -263.699 99.7577 -55.4586 84.6154 -189.693 51.2358 54.0027 175.342 40.5225 PRESSAVG: 3983400 -23.4414 28.3701 -12.5541 28.3701 17.8242 -0.381327 -12.554 -0.381409 37.8677 GPRESSAVG: 3983400 -22.9287 25.8399 -11.3766 29.9798 17.8135 -3.07157 -13.167 1.88614 37.7612 TIMING: 3983400 CPU: 11946.3, 0.00307949/step Wall: 11946.3, 0.00307949/step, 0.869615 hours remaining, 205.230469 MB of memory in use. ENERGY: 3983400 740.2038 2063.3389 1935.6155 117.9133 -205979.2850 17374.8674 0.0000 0.0000 34265.6639 -149481.6822 299.2506 -183747.3461 -149377.9308 298.5958 -166.1243 -137.6231 557586.2728 10.7502 10.8820 PRESSURE: 3983600 221.402 12.0187 158.65 12.0189 43.3675 57.7663 158.651 57.767 41.1504 GPRESSURE: 3983600 274.992 -20.7681 205.829 64.5263 52.6902 107.137 185.954 -0.00593102 75.5988 PRESSAVG: 3983600 9.01141 -0.78096 20.6701 -0.780958 11.081 56.7974 20.6701 56.7974 -4.91051 GPRESSAVG: 3983600 10.6331 1.40879 18.1958 -1.30706 10.0502 59.4203 21.0109 52.7828 -5.4274 TIMING: 3983600 CPU: 11946.9, 0.00311839/step Wall: 11946.9, 0.00311839/step, 0.880424 hours remaining, 205.230469 MB of memory in use. ENERGY: 3983600 745.6981 2043.8132 1947.9296 110.2958 -206469.5217 17900.4382 0.0000 0.0000 34392.2670 -149329.0798 300.3562 -183721.3468 -149241.1976 298.7564 101.9735 134.4271 555660.8064 5.0606 5.0853 PRESSURE: 3983800 61.0306 -59.9589 188.768 -59.958 -127.384 140.549 188.768 140.55 139.847 GPRESSURE: 3983800 80.0926 -30.6159 186.843 -22.1021 -99.1817 68.8333 211.926 204.027 183.522 PRESSAVG: 3983800 -53.5686 -24.0379 19.8893 -24.0378 -21.5937 41.144 19.8893 41.144 71.2503 GPRESSAVG: 3983800 -55.1563 -24.4626 21.2191 -25.3034 -20.4442 38.8621 19.8728 43.8064 71.7025 TIMING: 3983800 CPU: 11947.5, 0.00307929/step Wall: 11947.5, 0.00307929/step, 0.869216 hours remaining, 205.230469 MB of memory in use. ENERGY: 3983800 727.2929 2089.5675 1921.8237 118.2143 -206223.1772 17813.1375 0.0000 0.0000 34322.9240 -149230.2173 299.7506 -183553.1413 -149126.8415 299.2721 24.4978 54.8110 556601.3915 -1.3040 -1.2993 PRESSURE: 3984000 111.46 -62.1094 89.4437 -62.1094 54.6914 83.7268 89.4448 83.7265 -101.54 GPRESSURE: 3984000 175.148 16.18 179.824 -7.02578 49.0484 137.532 33.5888 42.0388 -49.0416 PRESSAVG: 3984000 -41.0684 -12.5769 23.5834 -12.577 -29.6464 -10.8953 23.5833 -10.8952 89.569 GPRESSAVG: 3984000 -41.1066 -14.356 23.7713 -11.1266 -30.2379 -8.88056 22.7073 -10.0089 90.1189 TIMING: 3984000 CPU: 11948.1, 0.00306556/step Wall: 11948.1, 0.00306556/step, 0.865169 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: 3984000 749.8105 2079.6405 1922.2951 130.9709 -206212.9331 17917.8986 0.0000 0.0000 34062.2806 -149350.0369 297.4744 -183412.3175 -149252.9923 299.0634 21.5372 58.3849 557560.1551 6.2847 6.2581 PRESSURE: 3984200 1.81448 -202.508 -46.1021 -202.507 -113.071 -4.29912 -46.1008 -4.30103 51.2246 GPRESSURE: 3984200 31.3793 -283.509 -2.64698 -193.025 -38.6476 67.4219 -108.498 8.26375 37.41 PRESSAVG: 3984200 -31.5243 -34.448 36.9646 -34.4481 -37.1554 46.5864 36.9646 46.5865 87.7947 GPRESSAVG: 3984200 -30.9991 -35.1669 35.8325 -34.8059 -35.8536 46.0173 38.5195 45.8788 85.4149 TIMING: 3984200 CPU: 11948.7, 0.00306711/step Wall: 11948.7, 0.00306711/step, 0.865437 hours remaining, 205.230469 MB of memory in use. ENERGY: 3984200 731.3944 2098.0659 1944.3775 125.4567 -206685.7790 17983.6904 0.0000 0.0000 34401.8274 -149400.9667 300.4397 -183802.7942 -149310.4816 299.3017 -20.0106 10.0473 557217.8367 6.3717 6.1874 LDB: ============= START OF LOAD BALANCING ============== 11952.2 LDB: ============== END OF LOAD BALANCING =============== 11952.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11952.2 LDB: ============= START OF LOAD BALANCING ============== 11952.5 LDB: Largest compute 4822 load 0.023910 is 20.2% of average load 0.118139 LDB: Average compute 0.001734 is 1.5% of average load 0.118139 LDB: TIME 11952.5 LOAD: AVG 0.118139 MAX 0.21908 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.254 MB LDB: TIME 11952.5 LOAD: AVG 0.118139 MAX 0.21908 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 11952.5 LOAD: AVG 0.118139 MAX 0.21908 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: ============== END OF LOAD BALANCING =============== 11952.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11952.5 PRESSURE: 3984400 140.472 155.583 24.8853 155.582 -20.7114 71.7386 24.8862 71.7386 267.468 GPRESSURE: 3984400 198.864 109.896 94.1664 186.27 20.2749 99.519 7.40257 79.948 266.218 PRESSAVG: 3984400 20.3142 -14.7862 21.8109 -14.7862 -6.11702 32.9899 21.8109 32.9898 6.74627 GPRESSAVG: 3984400 20.1044 -13.8761 23.0852 -13.5692 -7.44354 31.6141 19.8182 31.5069 8.40388 TIMING: 3984400 CPU: 11949.4, 0.00312209/step Wall: 11949.4, 0.00312209/step, 0.880776 hours remaining, 206.714844 MB of memory in use. ENERGY: 3984400 746.4588 2078.0083 1939.6624 126.7685 -206736.7635 18029.0957 0.0000 0.0000 34405.2046 -149411.5651 300.4692 -183816.7697 -149315.7798 298.5608 129.0761 161.7857 555718.0947 6.9811 7.0216 PRESSURE: 3984600 -184.172 59.7577 -230.685 59.7583 30.8094 64.8091 -230.686 64.8095 -432.444 GPRESSURE: 3984600 -110.113 75.3136 -244.386 90.8212 -0.366152 48.4576 -289.484 118.433 -374.994 PRESSAVG: 3984600 -6.9906 34.6986 -40.644 34.6986 -7.10337 19.7534 -40.6441 19.7534 6.24948 GPRESSAVG: 3984600 -7.63671 33.4804 -40.9008 33.8357 -6.42428 21.9394 -41.5635 20.1044 6.69111 TIMING: 3984600 CPU: 11950, 0.00305841/step Wall: 11950, 0.00305841/step, 0.862642 hours remaining, 206.957031 MB of memory in use. ENERGY: 3984600 748.5516 2109.9392 1950.5152 116.8275 -205914.0908 17580.8773 0.0000 0.0000 34072.4128 -149334.9671 297.5629 -183407.3798 -149237.1643 299.2742 -195.2689 -161.8244 558239.2269 -2.6148 -2.4566 PRESSURE: 3984800 -269.858 69.5178 178.749 69.5179 -46.4349 -3.29758 178.749 -3.29673 9.21033 GPRESSURE: 3984800 -188.612 71.7554 128.84 119.378 -69.0806 35.9217 161.197 -32.01 41.7339 PRESSAVG: 3984800 5.52022 -13.4316 -37.1534 -13.4316 46.6245 51.0541 -37.1534 51.0541 -34.9856 GPRESSAVG: 3984800 5.92927 -10.8857 -38.2452 -16.4536 47.6189 47.9324 -35.2375 53.1795 -36.5473 TIMING: 3984800 CPU: 11950.6, 0.00306978/step Wall: 11950.6, 0.00306978/step, 0.865678 hours remaining, 206.957031 MB of memory in use. ENERGY: 3984800 756.4347 2129.2296 1929.9085 116.7173 -205817.9119 17524.6935 0.0000 0.0000 34127.2398 -149233.6885 298.0417 -183360.9284 -149137.2207 298.9992 -102.3610 -71.9861 557189.6565 5.7197 5.6669 PRESSURE: 3985000 -83.9045 56.7678 -53.0455 56.767 -72.0732 -93.7542 -53.0446 -93.7538 67.7165 GPRESSURE: 3985000 -78.4786 -5.00255 -87.3541 114.235 9.60491 -76.6956 -133.996 -77.5488 79.0974 PRESSAVG: 3985000 22.4058 30.788 -9.55075 30.788 -15.5645 58.0589 -9.55074 58.0588 26.0697 GPRESSAVG: 3985000 22.1943 30.7956 -10.0319 33.7084 -16.5154 59.7246 -9.81024 57.5975 27.1856 TIMING: 3985000 CPU: 11951.2, 0.00304955/step Wall: 11951.2, 0.00304956/step, 0.859805 hours remaining, 206.957031 MB of memory in use. ENERGY: 3985000 759.1571 2137.1586 1941.2918 103.8753 -206313.6017 17877.0599 0.0000 0.0000 34431.1335 -149063.9255 300.6957 -183495.0590 -148968.9132 300.1148 -29.4204 3.4079 557293.7015 10.9703 10.9548 PRESSURE: 3985200 12.1991 -104.341 23.9178 -104.341 -97.0409 -75.7324 23.9162 -75.7318 55.2365 GPRESSURE: 3985200 59.0314 -139.679 -21.9845 -87.7607 -89.1771 21.5469 81.8557 -224.742 90.0966 PRESSAVG: 3985200 54.0967 7.50206 -30.9628 7.50202 38.8896 -30.2219 -30.9629 -30.2218 -26.926 GPRESSAVG: 3985200 53.6006 7.88037 -31.0805 5.08059 38.9541 -30.6007 -29.7002 -31.635 -26.7459 TIMING: 3985200 CPU: 11951.8, 0.0030758/step Wall: 11951.8, 0.0030758/step, 0.867033 hours remaining, 206.957031 MB of memory in use. ENERGY: 3985200 714.2743 2092.5795 1926.6483 108.1389 -205957.2249 17722.3366 0.0000 0.0000 34219.4624 -149173.7850 298.8471 -183393.2473 -149074.2884 299.8311 -9.8684 19.9836 558014.6387 22.0201 21.9363 PRESSURE: 3985400 57.4868 -86.2337 -131.559 -86.233 162.834 37.5355 -131.559 37.5372 290.133 GPRESSURE: 3985400 163.88 -204.702 -90.6982 -46.5998 199.055 16.2726 -104.329 78.3358 258.214 PRESSAVG: 3985400 3.94925 -85.4487 50.0695 -85.4486 -89.8678 48.6085 50.0696 48.6085 66.7744 GPRESSAVG: 3985400 4.9032 -83.7541 51.5932 -86.1678 -89.3912 48.1332 48.9376 47.9754 65.9272 TIMING: 3985400 CPU: 11952.4, 0.00306033/step Wall: 11952.4, 0.00306033/step, 0.862502 hours remaining, 206.957031 MB of memory in use. ENERGY: 3985400 762.3031 2082.7936 1961.4135 107.9867 -206648.7468 18161.1177 0.0000 0.0000 34106.3998 -149466.7326 297.8597 -183573.1323 -149374.5479 298.7262 170.1515 207.0498 556328.0036 -6.3814 -6.1869 PRESSURE: 3985600 -49.5465 -176.015 25.384 -176.017 41.2705 174.473 25.3843 174.473 -295.114 GPRESSURE: 3985600 -73.7977 -169.868 -42.0866 -213.692 116.604 215.583 -41.8088 215.302 -240.812 PRESSAVG: 3985600 -39.4906 -82.7262 -3.54976 -82.7262 27.7209 113.673 -3.54975 113.673 -6.30503 GPRESSAVG: 3985600 -39.9476 -85.1011 -4.39762 -80.0352 26.5181 116.046 -2.85602 113.774 -4.44346 TIMING: 3985600 CPU: 11953, 0.00304577/step Wall: 11953, 0.00304577/step, 0.858232 hours remaining, 206.957031 MB of memory in use. ENERGY: 3985600 763.3546 2039.7949 1937.2836 114.8433 -206383.3532 17845.9567 0.0000 0.0000 34216.8749 -149465.2452 298.8245 -183682.1201 -149365.7348 299.5551 -101.1301 -66.0019 557873.5652 -6.0249 -5.9576 PRESSURE: 3985800 6.11674 60.7268 143.938 60.7264 32.9233 45.5502 143.937 45.5505 76.9129 GPRESSURE: 3985800 61.7971 -32.8058 167.209 26.3318 68.7154 68.6263 12.4827 -14.5055 79.6332 PRESSAVG: 3985800 -63.1472 -24.2287 -22.3443 -24.2287 42.1313 14.1524 -22.3442 14.1524 18.7355 GPRESSAVG: 3985800 -63.0423 -24.7453 -22.0105 -25.1392 43.6716 12.7429 -23.6231 15.1839 16.9852 TIMING: 3985800 CPU: 11953.7, 0.00305206/step Wall: 11953.7, 0.00305206/step, 0.859833 hours remaining, 206.957031 MB of memory in use. ENERGY: 3985800 710.9767 2081.5097 1942.7367 115.1461 -206266.1612 17756.4381 0.0000 0.0000 34277.9908 -149381.3631 299.3582 -183659.3540 -149284.2715 298.6645 38.6510 70.0486 557152.3414 -0.7601 -0.7952 PRESSURE: 3986000 -41.0523 -11.1672 72.6272 -11.1669 -160.389 -157.573 72.6268 -157.573 350.302 GPRESSURE: 3986000 -44.9142 36.6113 143.605 -62.6372 -97.9606 -185.915 63.893 -84.252 387.901 PRESSAVG: 3986000 41.5293 -20.0923 -11.6713 -20.0923 2.77814 19.4955 -11.6713 19.4956 -11.4834 GPRESSAVG: 3986000 41.0387 -18.7494 -10.7287 -20.062 1.84127 19.7768 -12.5674 20.5853 -9.6046 TIMING: 3986000 CPU: 11954.3, 0.00305292/step Wall: 11954.3, 0.00305292/step, 0.859905 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: 3986000 743.7196 2111.9121 1933.5266 123.7538 -206728.0985 17970.4942 0.0000 0.0000 34482.6211 -149362.0710 301.1453 -183844.6921 -149268.5767 299.0998 49.6200 81.6753 556827.7893 10.9413 11.0918 PRESSURE: 3986200 42.3943 -2.62301 -79.1693 -2.62229 221.46 -126.174 -79.1705 -126.174 -1.11683 GPRESSURE: 3986200 77.4567 36.806 -52.0607 71.3741 225.818 -156.415 -14.8048 -62.7383 48.1875 PRESSAVG: 3986200 -51.5217 26.4288 10.415 26.4288 1.66026 -32.1411 10.4151 -32.1411 10.9374 GPRESSAVG: 3986200 -51.3705 25.2988 8.9263 26.7144 2.15796 -34.8361 13.0403 -32.1181 10.1308 TIMING: 3986200 CPU: 11954.9, 0.00306613/step Wall: 11954.9, 0.00306613/step, 0.863457 hours remaining, 207.074219 MB of memory in use. ENERGY: 3986200 770.2948 2155.1303 1932.7919 116.0422 -206387.8334 18194.7145 0.0000 0.0000 34089.6571 -149129.2026 297.7135 -183218.8597 -149025.8292 299.1909 87.5791 117.1542 558829.1651 -12.9747 -13.0272 PRESSURE: 3986400 59.316 -16.2747 14.5947 -16.2734 54.2906 49.9152 14.5936 49.9168 -191.722 GPRESSURE: 3986400 57.9592 -90.3291 -2.44938 -9.50396 128.568 -64.7361 13.87 -24.0936 -154.726 PRESSAVG: 3986400 0.148133 -9.18693 -29.4397 -9.18694 27.1265 16.9056 -29.4397 16.9057 -21.2597 GPRESSAVG: 3986400 -0.527941 -7.48722 -29.3438 -9.94058 27.5788 19.6246 -30.4414 13.9819 -21.1391 TIMING: 3986400 CPU: 11955.5, 0.00304173/step Wall: 11955.5, 0.00304173/step, 0.856417 hours remaining, 207.074219 MB of memory in use. ENERGY: 3986400 786.6566 2047.2803 1918.8554 98.7425 -206227.9610 17739.6888 0.0000 0.0000 34413.1872 -149223.5502 300.5389 -183636.7374 -149117.9649 299.2798 -26.0386 10.6003 557444.8462 2.0050 1.9706 PRESSURE: 3986600 209.464 -91.3187 89.0962 -91.3177 0.375782 -125.852 89.0973 -125.851 -112.198 GPRESSURE: 3986600 245.083 -63.5127 133.513 -96.1853 33.9881 -6.61757 61.333 -195.451 -82.1075 PRESSAVG: 3986600 -27.1285 20.2726 9.77062 20.2726 62.4785 -31.5316 9.77062 -31.5316 -31.1615 GPRESSAVG: 3986600 -26.9939 19.8547 8.35882 21.6078 61.9947 -31.3789 7.2039 -30.8706 -31.2782 TIMING: 3986600 CPU: 11956.1, 0.0030691/step Wall: 11956.1, 0.0030691/step, 0.863953 hours remaining, 207.074219 MB of memory in use. ENERGY: 3986600 723.3905 2101.6179 1929.0671 114.6903 -205900.4392 17743.0699 0.0000 0.0000 34172.0000 -149116.6037 298.4326 -183288.6036 -149024.0141 299.0130 32.5471 65.6547 557352.7774 1.3962 1.2408 PRESSURE: 3986800 -60.6214 -64.1763 -60.6545 -64.1768 144.287 33.7499 -60.6545 33.7495 157.023 GPRESSURE: 3986800 -19.4182 -64.8256 -13.6354 6.58 225.067 104.886 -88.4032 0.758031 136.724 PRESSAVG: 3986800 36.2362 -19.7408 -47.9465 -19.7408 -36.8195 21.113 -47.9465 21.113 -8.47257 GPRESSAVG: 3986800 37.0407 -22.0769 -46.8594 -18.1961 -36.6858 22.8305 -46.5 20.331 -9.35367 TIMING: 3986800 CPU: 11956.7, 0.00306732/step Wall: 11956.7, 0.00306732/step, 0.863279 hours remaining, 207.074219 MB of memory in use. ENERGY: 3986800 753.9719 2035.1008 1945.5026 113.4505 -206012.9251 17938.0818 0.0000 0.0000 33997.2161 -149229.6014 296.9061 -183226.8175 -149131.3321 299.3728 80.2296 114.1243 557830.2058 -3.0186 -2.9996 PRESSURE: 3987000 71.4605 71.1313 -45.2963 71.1315 95.6214 66.457 -45.2967 66.4568 78.7239 GPRESSURE: 3987000 121.724 56.3158 -57.4282 192.983 130.828 65.6634 13.4258 47.9969 106.245 PRESSAVG: 3987000 -1.81514 28.2085 -29.6691 28.2086 -22.7308 8.98424 -29.6692 8.98422 41.8754 GPRESSAVG: 3987000 -2.07708 30.7571 -31.4536 26.2767 -22.5586 6.9542 -30.3464 10.351 42.9537 TIMING: 3987000 CPU: 11957.3, 0.00306599/step Wall: 11957.3, 0.00306599/step, 0.862736 hours remaining, 207.074219 MB of memory in use. ENERGY: 3987000 770.4954 2031.0836 1942.4334 108.7845 -206282.6534 17733.5841 0.0000 0.0000 34328.2077 -149368.0647 299.7968 -183696.2724 -149272.3273 299.3513 81.9353 119.5991 556482.7356 5.7765 6.1060 PRESSURE: 3987200 -13.1795 153.357 56.9407 153.357 -53.0575 78.6781 56.9405 78.6769 -41.9676 GPRESSURE: 3987200 -0.753899 204.966 25.5715 156.911 30.176 34.6552 78.3799 100.547 -30.2311 PRESSAVG: 3987200 1.18307 121.287 8.80963 121.287 -10.7552 3.12112 8.80963 3.12111 -11.126 GPRESSAVG: 3987200 0.833005 120.23 9.77279 120.758 -9.94087 3.6491 10.3439 2.3618 -11.2131 TIMING: 3987200 CPU: 11957.9, 0.00307531/step Wall: 11957.9, 0.00307531/step, 0.865187 hours remaining, 207.074219 MB of memory in use. ENERGY: 3987200 780.6402 2060.4148 1938.4405 110.6325 -206335.4463 17858.3471 0.0000 0.0000 34167.8452 -149419.1261 298.3963 -183586.9712 -149321.0478 298.3363 -36.0682 -0.2697 555703.6323 -6.8993 -6.7737 PRESSURE: 3987400 89.9449 12.271 125.015 12.271 192.162 -110.558 125.014 -110.56 68.0054 GPRESSURE: 3987400 100.007 46.5329 119.971 -13.8864 222.309 -72.4772 51.5842 -122.862 123.482 PRESSAVG: 3987400 -104.42 66.3765 -4.14722 66.3764 61.8649 0.203872 -4.14721 0.203944 22.3587 GPRESSAVG: 3987400 -104.653 67.1877 -4.40793 67.8318 62.4259 -0.947258 -5.31453 -0.390421 22.3989 TIMING: 3987400 CPU: 11958.6, 0.00307326/step Wall: 11958.6, 0.00307325/step, 0.864438 hours remaining, 207.074219 MB of memory in use. ENERGY: 3987400 749.8761 2082.7678 1948.0692 116.2456 -206349.9479 17993.2926 0.0000 0.0000 34001.6909 -149458.0056 296.9452 -183459.6966 -149365.0558 298.8360 116.7043 148.5994 555807.5414 -6.7320 -6.6093 PRESSURE: 3987600 -498.502 -129.278 -129.589 -129.278 -250.22 -51.4987 -129.589 -51.4999 -437.43 GPRESSURE: 3987600 -480.103 -99.7735 -126.925 -112.737 -235.709 -43.3362 -127.441 -34.7923 -377.079 PRESSAVG: 3987600 6.88885 23.0846 34.7708 23.0845 -13.5237 -11.1795 34.7709 -11.1794 48.4006 GPRESSAVG: 3987600 7.2921 23.1821 34.8392 20.1857 -14.6923 -11.9624 35.2524 -9.87732 49.1231 TIMING: 3987600 CPU: 11959.2, 0.00304068/step Wall: 11959.2, 0.00304068/step, 0.855106 hours remaining, 207.074219 MB of memory in use. ENERGY: 3987600 763.9482 2097.1515 1946.5821 132.3748 -205833.3464 17283.4982 0.0000 0.0000 34318.5667 -149291.2249 299.7126 -183609.7916 -149196.2061 299.1609 -395.3836 -364.2966 557852.9645 13.9219 13.9076 PRESSURE: 3987800 118.797 37.5029 159.988 37.5027 36.2531 96.9146 159.988 96.9152 -207.654 GPRESSURE: 3987800 134.675 75.7982 160.692 1.04884 87.385 -0.699721 111.751 118.329 -181.036 PRESSAVG: 3987800 16.2875 -4.65402 21.7076 -4.65396 10.7682 -44.8561 21.7076 -44.8561 -19.4015 GPRESSAVG: 3987800 15.8261 -2.71317 22.4521 -3.50176 11.3289 -43.2193 21.4753 -44.6803 -19.555 TIMING: 3987800 CPU: 11959.8, 0.00309184/step Wall: 11959.8, 0.00309184/step, 0.869324 hours remaining, 207.074219 MB of memory in use. ENERGY: 3987800 765.1349 2107.8539 1957.2482 131.9547 -206510.5021 17856.3713 0.0000 0.0000 34263.5291 -149428.4101 299.2319 -183691.9392 -149335.7591 298.4328 -17.5347 13.6745 557913.1126 2.5514 2.5334 PRESSURE: 3988000 -151.247 45.6484 -132.662 45.6484 -287.904 -13.0739 -132.662 -13.0728 -139.165 GPRESSURE: 3988000 -120.85 60.1504 -132.653 -92.8241 -278.359 -63.9239 -166.577 -34.7525 -85.6677 PRESSAVG: 3988000 50.2262 32.7041 -12.886 32.7041 -41.5144 -35.6497 -12.886 -35.6497 32.9978 GPRESSAVG: 3988000 50.1184 31.4191 -13.8691 32.0455 -41.2768 -35.2897 -14.2398 -36.3728 32.7253 TIMING: 3988000 CPU: 11960.4, 0.003059/step Wall: 11960.4, 0.003059/step, 0.859919 hours remaining, 207.074219 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: 3988000 703.7721 2067.8269 1970.4739 122.5087 -206383.2826 17632.1333 0.0000 0.0000 34302.3172 -149584.2504 299.5707 -183886.5676 -149487.8480 298.4470 -192.7718 -161.6254 558099.2334 13.9032 13.8556 PRESSURE: 3988200 60.9994 123.351 120.167 123.352 -95.4124 -14.1543 120.167 -14.1545 -263.862 GPRESSURE: 3988200 54.6677 134.292 183.019 149.872 -69.7731 20.3867 197.727 -3.19363 -195.51 PRESSAVG: 3988200 -45.3665 -14.9615 14.7436 -14.9616 6.71438 -41.6943 14.7437 -41.6944 42.2872 GPRESSAVG: 3988200 -44.822 -17.2998 16.4379 -13.6921 6.75952 -42.0169 15.5296 -40.4504 41.5212 TIMING: 3988200 CPU: 11961, 0.00307445/step Wall: 11961, 0.00307445/step, 0.864091 hours remaining, 207.074219 MB of memory in use. ENERGY: 3988200 747.3794 2152.5468 1954.6521 127.4353 -206330.4950 17777.7556 0.0000 0.0000 33897.5483 -149673.1774 296.0357 -183570.7258 -149580.0897 298.0913 -99.4249 -70.2052 557812.0985 1.2117 1.1529 LDB: ============= START OF LOAD BALANCING ============== 11964.4 LDB: ============== END OF LOAD BALANCING =============== 11964.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11964.4 LDB: ============= START OF LOAD BALANCING ============== 11964.8 LDB: Largest compute 4822 load 0.025064 is 21.2% of average load 0.118049 LDB: Average compute 0.001730 is 1.5% of average load 0.118049 LDB: TIME 11964.8 LOAD: AVG 0.118049 MAX 0.222515 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.938 MB LDB: TIME 11964.8 LOAD: AVG 0.118049 MAX 0.222515 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: TIME 11964.8 LOAD: AVG 0.118049 MAX 0.222515 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.941 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11964.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11964.8 PRESSURE: 3988400 7.46744 -28.8418 -3.58802 -28.8416 305.186 -20.0872 -3.5873 -20.0872 29.8745 GPRESSURE: 3988400 35.8697 -46.0842 -70.307 0.205426 366.455 52.7172 56.7617 -31.5745 30.4894 PRESSAVG: 3988400 -34.3947 4.97996 33.6059 4.97993 17.3996 6.07348 33.6059 6.07349 50.0036 GPRESSAVG: 3988400 -35.6114 4.86983 31.2555 6.15382 19.0047 5.74235 34.3986 6.27309 49.8681 TIMING: 3988400 CPU: 11961.6, 0.00315654/step Wall: 11961.6, 0.00315654/step, 0.886988 hours remaining, 206.457031 MB of memory in use. ENERGY: 3988400 774.3675 2063.5525 1927.6737 111.2995 -206632.9127 18091.9174 0.0000 0.0000 34196.7906 -149467.3115 298.6491 -183664.1021 -149369.2411 298.4394 114.1761 144.2713 557214.0247 11.0029 11.0871 PRESSURE: 3988600 -90.9677 97.8714 -25.4248 97.8711 155.377 102.313 -25.4246 102.315 117.277 GPRESSURE: 3988600 -58.0072 168.7 -9.37336 41.4663 205.84 24.9866 -8.55989 171.596 110.166 PRESSAVG: 3988600 25.8826 52.0244 35.0381 52.0244 -48.1411 -31.8363 35.0382 -31.8364 -16.3656 GPRESSAVG: 3988600 26.7008 51.5948 36.7283 52.7778 -49.3375 -32.265 32.9638 -31.4728 -16.2999 TIMING: 3988600 CPU: 11962.3, 0.0030782/step Wall: 11962.3, 0.0030782/step, 0.864803 hours remaining, 206.660156 MB of memory in use. ENERGY: 3988600 729.7556 2087.2070 1929.2018 111.0769 -206285.3842 17897.6107 0.0000 0.0000 34071.6697 -149458.8625 297.5564 -183530.5323 -149359.3599 298.1126 60.5623 85.9998 558770.2236 -12.8747 -12.9788 PRESSURE: 3988800 -71.0465 -18.8877 -138.515 -18.8876 25.3306 51.82 -138.515 51.8214 -86.0134 GPRESSURE: 3988800 -56.3206 -38.5913 -118.749 -63.2373 48.7433 -10.7234 -117.054 77.0272 -25.7039 PRESSAVG: 3988800 -5.85605 33.406 -2.90218 33.406 13.1909 5.35725 -2.90219 5.35719 -23.6724 GPRESSAVG: 3988800 -5.37421 34.182 -2.27288 30.8085 11.8155 7.21497 -3.07862 4.10124 -23.1618 TIMING: 3988800 CPU: 11962.9, 0.00306128/step Wall: 11962.9, 0.00306128/step, 0.85988 hours remaining, 206.660156 MB of memory in use. ENERGY: 3988800 750.9107 2040.7529 1925.1593 113.2304 -206330.6767 17949.6192 0.0000 0.0000 34185.0087 -149365.9955 298.5462 -183551.0041 -149271.1763 298.5005 -43.9098 -11.0937 559363.3463 -5.4459 -5.5735 PRESSURE: 3989000 96.7344 -3.26922 -116.866 -3.2682 -163.376 199.99 -116.863 199.991 -80.0972 GPRESSURE: 3989000 149.602 -44.3746 -105.927 20.7002 -151.81 60.7226 -88.9043 246.301 -48.9051 PRESSAVG: 3989000 42.485 -35.4749 -22.8264 -35.475 -53.2248 -10.3839 -22.8264 -10.3839 17.5157 GPRESSAVG: 3989000 40.9175 -34.5288 -25.5808 -34.2544 -52.6644 -11.4266 -20.9972 -7.82738 18.4512 TIMING: 3989000 CPU: 11963.5, 0.00305796/step Wall: 11963.5, 0.00305796/step, 0.858777 hours remaining, 206.660156 MB of memory in use. ENERGY: 3989000 754.5729 2017.9232 1927.5042 109.6309 -206178.2382 17901.2513 0.0000 0.0000 34269.3071 -149198.0486 299.2824 -183467.3557 -149093.3301 299.2544 -48.9130 -17.0374 558957.7995 2.2586 2.2348 PRESSURE: 3989200 -96.983 -205.568 -84.6282 -205.569 -95.09 -2.94025 -84.627 -2.94099 -33.0134 GPRESSURE: 3989200 -72.4575 -196.281 -107.01 -213.511 -17.0264 -110.418 -79.703 93.6606 -37.1355 PRESSAVG: 3989200 -14.4454 -4.97348 12.7925 -4.97354 41.5744 6.0261 12.7925 6.02599 -30.0911 GPRESSAVG: 3989200 -12.6706 -7.41308 15.6719 -4.36689 41.184 6.18267 10.5143 6.19769 -31.6967 TIMING: 3989200 CPU: 11964.1, 0.00306728/step Wall: 11964.1, 0.00306728/step, 0.861225 hours remaining, 206.660156 MB of memory in use. ENERGY: 3989200 751.8537 2071.7117 1925.8322 114.1262 -205782.7194 17478.0738 0.0000 0.0000 34360.6614 -149080.4603 300.0802 -183441.1217 -148983.1459 299.3101 -75.0288 -42.2064 557418.7078 -0.9874 -1.0611 PRESSURE: 3989400 -104.143 3.46432 -82.4713 3.46398 -171.981 14.3251 -82.4708 14.3257 -438.067 GPRESSURE: 3989400 -111.437 32.5687 -51.0277 -86.3259 -86.5232 0.327231 -144.627 53.4728 -410.181 PRESSAVG: 3989400 46.6944 -53.9516 -51.6504 -53.9516 36.2229 -25.031 -51.6504 -25.0311 -23.1221 GPRESSAVG: 3989400 45.7466 -53.0031 -53.9149 -55.3883 37.1571 -23.9879 -49.9672 -26.9556 -22.7585 TIMING: 3989400 CPU: 11964.7, 0.00308317/step Wall: 11964.7, 0.00308318/step, 0.865516 hours remaining, 206.660156 MB of memory in use. ENERGY: 3989400 746.7305 2055.1104 1958.2279 109.3985 -205829.1976 17528.5971 0.0000 0.0000 34210.6808 -149220.4524 298.7704 -183431.1332 -149125.4886 300.0182 -238.0633 -202.7138 558596.0464 19.9317 20.0484 PRESSURE: 3989600 156.424 -204.565 -14.574 -204.565 -8.47905 -34.8806 -14.5742 -34.8824 218.847 GPRESSURE: 3989600 237.452 -183.155 76.8006 -186.918 -15.839 -3.7623 10.3135 26.4143 244.357 PRESSAVG: 3989600 -21.9675 -4.42285 -6.9905 -4.42274 -36.4931 62.0638 -6.99048 62.0637 50.9344 GPRESSAVG: 3989600 -23.1925 -1.37426 -6.63313 -5.18515 -34.8592 60.3827 -7.05355 62.5991 51.1023 TIMING: 3989600 CPU: 11965.3, 0.0030581/step Wall: 11965.3, 0.0030581/step, 0.858308 hours remaining, 206.660156 MB of memory in use. ENERGY: 3989600 772.0427 2062.5322 1952.8690 122.7226 -206259.7120 17895.1473 0.0000 0.0000 34254.4990 -149199.8992 299.1531 -183454.3982 -149106.7334 299.1114 122.2639 155.3232 556588.1926 -2.5087 -2.3165 PRESSURE: 3989800 -220.808 -40.4688 -97.3409 -40.469 -137.212 -77.1454 -97.3413 -77.1439 -360.141 GPRESSURE: 3989800 -245.076 -35.1326 5.8398 -23.1444 -76.6484 -69.0178 -46.8372 -113.67 -302.255 PRESSAVG: 3989800 -9.26927 -36.9605 52.7508 -36.9606 -40.2283 31.7431 52.7509 31.7431 42.7581 GPRESSAVG: 3989800 -8.8226 -38.052 53.5319 -36.8884 -41.2957 33.3079 53.3033 31.5092 42.4707 TIMING: 3989800 CPU: 11965.9, 0.00307313/step Wall: 11965.9, 0.00307313/step, 0.862353 hours remaining, 206.660156 MB of memory in use. ENERGY: 3989800 758.1072 2057.4999 1943.7126 110.0422 -205568.7073 17304.0305 0.0000 0.0000 34242.5289 -149152.7860 299.0485 -183395.3149 -149053.9791 299.7922 -239.3872 -207.9931 558033.0747 -2.2465 -2.5492 PRESSURE: 3990000 -110.057 95.1987 -27.9982 95.1984 -232.602 160.632 -27.9994 160.63 -148.668 GPRESSURE: 3990000 -115.502 52.394 -30.9491 104.089 -156.556 114.748 -58.2005 227.183 -115.303 PRESSAVG: 3990000 13.384 17.6922 -36.0337 17.692 5.26081 28.6641 -36.0337 28.6642 -34.9563 GPRESSAVG: 3990000 13.8341 15.276 -35.4037 18.1676 4.8446 28.3798 -36.6155 28.7358 -35.0461 TIMING: 3990000 CPU: 11966.5, 0.0030395/step Wall: 11966.5, 0.0030395/step, 0.852749 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: 3990000 744.2634 2022.0609 1970.6146 120.4344 -205948.6131 17517.6492 0.0000 0.0000 34408.4886 -149165.1020 300.4979 -183573.5906 -149064.0997 299.4915 -163.7755 -129.1203 557165.7031 -5.4372 -5.4558 PRESSURE: 3990200 13.3852 -6.0702 16.8534 -6.07079 -345.142 102.584 16.8542 102.583 -239.337 GPRESSURE: 3990200 66.4972 -68.2447 143.482 -51.1418 -318.935 71.8807 -13.5609 119.913 -222.133 PRESSAVG: 3990200 -0.64568 -12.3341 -7.35356 -12.3341 5.15947 27.6203 -7.35358 27.6202 -0.260934 GPRESSAVG: 3990200 0.318333 -10.1208 -7.48765 -12.4446 4.45179 26.0008 -8.34084 27.9386 -0.59251 TIMING: 3990200 CPU: 11967.2, 0.00306103/step Wall: 11967.2, 0.00306103/step, 0.85862 hours remaining, 206.660156 MB of memory in use. ENERGY: 3990200 741.3311 2028.1048 1935.8526 102.5915 -206136.6233 17670.6904 0.0000 0.0000 34418.9069 -149239.1461 300.5889 -183658.0530 -149143.2428 299.7339 -190.3647 -158.1903 558285.4531 1.4176 1.3925 PRESSURE: 3990400 17.0239 12.8338 -38.0607 12.8333 106.471 12.3111 -38.0613 12.3107 -191.875 GPRESSURE: 3990400 66.8383 -30.957 -88.1096 57.7882 111.905 -6.1903 28.8214 31.9684 -136.902 PRESSAVG: 3990400 56.5549 -25.8881 16.305 -25.8881 -15.6359 14.9932 16.305 14.9932 -35.8526 GPRESSAVG: 3990400 57.2305 -25.0567 15.1653 -27.2905 -16.7217 16.0669 19.2001 14.5644 -35.3583 TIMING: 3990400 CPU: 11967.8, 0.00306836/step Wall: 11967.8, 0.00306836/step, 0.860504 hours remaining, 206.660156 MB of memory in use. ENERGY: 3990400 714.0018 2044.0473 1910.1251 114.5475 -205847.2705 17826.4766 0.0000 0.0000 34163.7540 -149074.3181 298.3606 -183238.0722 -148970.9790 299.1967 -22.7935 13.9469 558020.4945 1.6888 1.7168 PRESSURE: 3990600 -16.1461 -76.5923 159.731 -76.5925 65.1834 90.7211 159.732 90.7206 -155.883 GPRESSURE: 3990600 51.1092 -9.21721 64.1471 -127.177 58.0248 20.8976 190.886 150.501 -109.224 PRESSAVG: 3990600 32.1886 -12.4612 32.5893 -12.4612 52.829 -11.0742 32.5892 -11.0742 -17.1729 GPRESSAVG: 3990600 30.8549 -13.1911 29.3148 -9.67158 54.4459 -11.3604 31.4978 -11.0746 -17.9147 TIMING: 3990600 CPU: 11968.4, 0.00302482/step Wall: 11968.4, 0.00302482/step, 0.848126 hours remaining, 206.660156 MB of memory in use. ENERGY: 3990600 773.9013 2108.9156 1935.8917 115.2358 -206291.2520 17933.5197 0.0000 0.0000 34239.5219 -149184.2660 299.0223 -183423.7879 -149091.0244 299.4716 -35.6152 -0.0300 557446.3338 22.6149 22.4621 PRESSURE: 3990800 -79.4481 -17.4439 140.858 -17.4429 -138.11 -51.9493 140.859 -51.9489 39.3338 GPRESSURE: 3990800 -41.4198 117.05 150.77 -44.0521 -89.6291 -96.9074 149.878 24.7101 55.8432 PRESSAVG: 3990800 7.73568 -48.7174 31.0687 -48.7174 47.5855 -37.1013 31.0687 -37.1011 -41.2532 GPRESSAVG: 3990800 7.04918 -49.3151 32.2076 -48.475 48.0148 -36.0477 32.5338 -37.2709 -41.191 TIMING: 3990800 CPU: 11969, 0.00303458/step Wall: 11969, 0.00303458/step, 0.850693 hours remaining, 206.660156 MB of memory in use. ENERGY: 3990800 724.7695 2062.6193 1934.4452 114.5752 -206033.8552 17592.7028 0.0000 0.0000 34335.8327 -149268.9105 299.8634 -183604.7431 -149171.0102 299.3398 -59.4082 -25.0686 557156.4638 4.6893 4.6243 PRESSURE: 3991000 98.8797 104.314 -12.1016 104.314 -0.546551 -121.582 -12.1016 -121.582 -124.547 GPRESSURE: 3991000 122.23 68.4023 14.4235 138.454 4.27585 -87.0131 -4.72994 -89.3835 -62.0102 PRESSAVG: 3991000 38.0747 -20.142 -28.2812 -20.1421 21.1139 35.9034 -28.2813 35.9035 -23.5496 GPRESSAVG: 3991000 36.7934 -19.3231 -30.0356 -22.1794 21.5691 37.1637 -26.6974 35.2687 -23.054 TIMING: 3991000 CPU: 11969.6, 0.00302216/step Wall: 11969.6, 0.00302216/step, 0.847043 hours remaining, 206.660156 MB of memory in use. ENERGY: 3991000 735.1924 2069.0193 1907.5773 95.3538 -205864.2743 17585.5870 0.0000 0.0000 34203.8275 -149267.7170 298.7105 -183471.5445 -149164.7365 300.0157 -8.7378 21.4987 556745.7073 11.8797 11.7695 PRESSURE: 3991200 121.202 -37.9769 154.523 -37.9777 -178.346 -86.1233 154.523 -86.124 -38.6905 GPRESSURE: 3991200 151.014 -18.8558 178.938 21.9294 -92.696 -166.132 190.256 -25.6856 -58.058 PRESSAVG: 3991200 45.3966 -30.9111 -37.1698 -30.911 0.851917 23.1453 -37.1696 23.1453 -50.2085 GPRESSAVG: 3991200 47.9204 -33.7557 -35.2258 -29.0625 0.0478246 23.0004 -39.4294 25.0881 -51.2165 TIMING: 3991200 CPU: 11970.2, 0.00301418/step Wall: 11970.2, 0.00301418/step, 0.84464 hours remaining, 206.660156 MB of memory in use. ENERGY: 3991200 725.6875 2094.2695 1913.6024 102.3792 -205906.0611 17698.8659 0.0000 0.0000 34428.3129 -148942.9437 300.6710 -183371.2567 -148845.3241 299.9365 -31.9448 0.0867 557314.3287 -1.3200 -1.0828 PRESSURE: 3991400 36.1371 128.379 -157.951 128.378 218.219 13.789 -157.951 13.7893 -41.1458 GPRESSURE: 3991400 118.447 118.82 -130.996 155.837 228.03 83.294 -180.576 56.7448 -55.1729 PRESSAVG: 3991400 67.3067 22.6463 19.6271 22.6462 77.1507 52.4199 19.627 52.42 -145.369 GPRESSAVG: 3991400 67.0457 24.4992 21.0174 21.7166 77.2475 53.5975 17.4984 50.7639 -144.564 TIMING: 3991400 CPU: 11970.8, 0.00304357/step Wall: 11970.8, 0.00304357/step, 0.852706 hours remaining, 206.660156 MB of memory in use. ENERGY: 3991400 727.6252 2105.9189 1935.3365 98.4549 -206012.7320 17874.3565 0.0000 0.0000 34314.1531 -148956.8868 299.6740 -183271.0398 -148860.0670 300.6362 71.0700 97.1013 556720.2421 -0.3038 -0.0902 PRESSURE: 3991600 -9.86754 96.2077 50.9558 96.2084 55.5232 -20.7367 50.9552 -20.7377 -327.01 GPRESSURE: 3991600 33.3561 88.2277 106.25 66.8363 71.6101 -78.228 92.4367 -38.2076 -290.1 PRESSAVG: 3991600 54.7517 83.0102 -28.404 83.0101 20.579 -5.82084 -28.4039 -5.82079 -33.9593 GPRESSAVG: 3991600 53.7087 82.2187 -29.3828 82.3333 19.7384 -8.18079 -29.3548 -5.91161 -32.3554 TIMING: 3991600 CPU: 11971.4, 0.00302141/step Wall: 11971.4, 0.00302141/step, 0.846332 hours remaining, 206.660156 MB of memory in use. ENERGY: 3991600 734.3524 2102.0458 1916.7635 111.6762 -205772.0113 17633.2887 0.0000 0.0000 34509.1885 -148764.6961 301.3773 -183273.8846 -148669.8556 300.1468 -93.7849 -61.7111 557561.5650 13.7905 13.6972 PRESSURE: 3991800 -179.783 34.2378 -54.725 34.2366 -290.514 -29.9147 -54.7253 -29.9157 -111.127 GPRESSURE: 3991800 -211.954 66.4613 -76.488 23.6072 -241.926 -57.3022 -52.1775 22.4406 -37.5709 PRESSAVG: 3991800 -65.1284 38.9369 -52.111 38.9369 67.2349 -50.3536 -52.1111 -50.3536 9.61062 GPRESSAVG: 3991800 -64.8681 39.4558 -50.404 40.7353 66.5873 -50.6877 -49.3177 -48.5677 9.84539 TIMING: 3991800 CPU: 11972, 0.00301431/step Wall: 11972, 0.00301431/step, 0.844174 hours remaining, 206.660156 MB of memory in use. ENERGY: 3991800 722.1687 2083.8914 1956.1635 121.3124 -205313.4413 17409.3019 0.0000 0.0000 34383.1069 -148637.4964 300.2762 -183020.6033 -148534.4503 300.5169 -193.8081 -163.8169 559515.7962 3.9057 3.8548 PRESSURE: 3992000 -250.048 144.197 35.2257 144.196 -123.81 -55.1613 35.2257 -55.1616 -77.0856 GPRESSURE: 3992000 -218.968 229.613 -19.8604 100.492 -89.93 -68.8904 84.2793 -99.0419 -55.5179 PRESSAVG: 3992000 -46.1012 18.9847 -5.89563 18.9846 23.9281 7.69008 -5.89554 7.69017 47.4211 GPRESSAVG: 3992000 -45.9029 19.8911 -8.55024 17.3658 23.9493 8.34836 -5.08875 6.99303 47.0476 TIMING: 3992000 CPU: 11972.6, 0.00304938/step Wall: 11972.6, 0.00304938/step, 0.853827 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: 3992000 755.1518 2052.9768 1945.8611 130.4346 -205221.0300 17412.1682 0.0000 0.0000 34311.8010 -148612.6365 299.6535 -182924.4375 -148518.9597 300.4185 -150.3143 -121.4720 560236.4902 8.4160 8.3647 PRESSURE: 3992200 -60.5722 -195.449 24.358 -195.448 -167.794 -29.8061 24.3568 -29.8061 -428.573 GPRESSURE: 3992200 -69.0115 -213.466 46.8421 -160.531 -90.0344 64.5926 -24.4063 3.07223 -400.152 PRESSAVG: 3992200 -62.2241 -26.6666 -11.5584 -26.6667 15.0223 -28.0035 -11.5584 -28.0035 26.9197 GPRESSAVG: 3992200 -62.0451 -25.9822 -10.0156 -28.0429 15.8666 -27.1773 -13.1493 -27.1378 25.8219 TIMING: 3992200 CPU: 11973.2, 0.00304894/step Wall: 11973.2, 0.00304894/step, 0.853535 hours remaining, 206.660156 MB of memory in use. ENERGY: 3992200 748.2610 2094.5137 1929.5135 111.0670 -205668.9687 17604.9722 0.0000 0.0000 34248.2128 -148932.4285 299.0982 -183180.6413 -148840.2438 299.6310 -218.9795 -186.3994 560849.7514 -6.7607 -6.7855 LDB: ============= START OF LOAD BALANCING ============== 11976.7 LDB: ============== END OF LOAD BALANCING =============== 11976.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11976.7 LDB: ============= START OF LOAD BALANCING ============== 11977 LDB: Largest compute 4822 load 0.024019 is 20.3% of average load 0.118121 LDB: Average compute 0.001731 is 1.5% of average load 0.118121 LDB: TIME 11977 LOAD: AVG 0.118121 MAX 0.219577 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.715 MB LDB: TIME 11977 LOAD: AVG 0.118121 MAX 0.219577 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.719 MB LDB: TIME 11977 LOAD: AVG 0.118121 MAX 0.219577 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.719 MB LDB: ============== END OF LOAD BALANCING =============== 11977 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 PRESSURE: 3992400 -69.9998 -261.305 -121.191 -261.303 -115.386 -12.2829 -121.191 -12.2829 41.4475 GPRESSURE: 3992400 -94.848 -222.607 -95.0857 -200.402 -63.4154 -55.5539 -55.682 104.046 106.282 PRESSAVG: 3992400 -44.6319 -39.8134 8.96146 -39.8134 7.27179 5.11464 8.96146 5.1147 35.0442 GPRESSAVG: 3992400 -45.4572 -41.8084 8.21659 -36.9484 6.51828 1.24032 9.2911 7.02244 36.0782 TIMING: 3992400 CPU: 11973.8, 0.00311932/step Wall: 11973.8, 0.00311932/step, 0.873063 hours remaining, 207.027344 MB of memory in use. ENERGY: 3992400 771.0749 2067.4767 1923.3737 103.9337 -205879.1022 17824.4552 0.0000 0.0000 34165.9539 -149022.8341 298.3798 -183188.7880 -148929.3465 299.4139 -47.9795 -17.3271 558306.4051 -0.7720 -0.9536 PRESSURE: 3992600 79.2357 75.5858 -251.569 75.5851 84.9341 8.00765 -251.57 8.00806 -24.9554 GPRESSURE: 3992600 98.5522 74.3788 -343.198 98.3859 82.3522 -0.353626 -173.17 2.17864 49.9626 PRESSAVG: 3992600 -38.5359 12.9096 -25.3397 12.9097 -2.54772 29.0945 -25.3399 29.0946 23.627 GPRESSAVG: 3992600 -37.7298 13.74 -25.1038 10.5932 -1.46294 31.2101 -24.9948 27.4384 22.3189 TIMING: 3992600 CPU: 11974.5, 0.00306323/step Wall: 11974.5, 0.00306323/step, 0.857195 hours remaining, 207.230469 MB of memory in use. ENERGY: 3992600 716.9963 2067.7656 1935.1109 103.7760 -206148.9332 17724.7187 0.0000 0.0000 34547.2257 -149053.3400 301.7095 -183600.5657 -148966.1947 299.3828 46.4048 76.9556 556754.1099 -5.8189 -5.6246 PRESSURE: 3992800 39.2975 114.481 -200.693 114.481 265.784 -30.6371 -200.694 -30.6382 343.463 GPRESSURE: 3992800 61.8877 169.671 -195.801 40.4897 341.038 -114.668 -263.263 43.1687 344.504 PRESSAVG: 3992800 2.2957 52.3966 -68.0542 52.3966 -21.4497 -19.5174 -68.0543 -19.5173 -6.75299 GPRESSAVG: 3992800 1.49352 52.6706 -67.1294 52.4844 -21.8162 -19.1185 -67.9827 -20.9524 -5.88887 TIMING: 3992800 CPU: 11975.1, 0.00306324/step Wall: 11975.1, 0.00306324/step, 0.857026 hours remaining, 207.230469 MB of memory in use. ENERGY: 3992800 748.6533 2098.1625 1923.1363 120.0626 -206729.1607 18267.7870 0.0000 0.0000 34576.7035 -148994.6555 301.9670 -183571.3590 -148900.4875 300.0670 216.1815 249.1430 555589.6320 -8.6357 -8.7372 PRESSURE: 3993000 -143.25 -1.58686 26.905 -1.58738 173.241 -223.938 26.9053 -223.935 -260.46 GPRESSURE: 3993000 -77.6216 -29.9953 87.6987 43.7202 203.239 -183.252 133.46 -251.316 -268.973 PRESSAVG: 3993000 -18.7064 14.1534 -62.1305 14.1534 68.0671 -24.0054 -62.1306 -24.0054 -2.56372 GPRESSAVG: 3993000 -17.4401 13.207 -60.4764 14.63 66.3072 -23.5716 -65.2599 -22.6782 -2.45402 TIMING: 3993000 CPU: 11975.7, 0.00304417/step Wall: 11975.7, 0.00304417/step, 0.851521 hours remaining, 207.230469 MB of memory in use. ENERGY: 3993000 738.4627 2096.7998 1970.7358 110.4262 -205783.5921 17541.2827 0.0000 0.0000 34261.5111 -149064.3737 299.2143 -183325.8849 -148958.6851 300.1865 -76.8230 -47.7851 557254.5533 15.5990 15.4710 PRESSURE: 3993200 54.3393 85.4978 -11.2452 85.4986 -215.519 -124.705 -11.2444 -124.707 113.338 GPRESSURE: 3993200 144.309 138.289 -19.8139 66.8544 -210.706 -149.943 -35.9026 -40.1118 125.938 PRESSAVG: 3993200 -4.8351 -4.78123 -23.7727 -4.78126 -37.81 6.91877 -23.7726 6.91878 57.4044 GPRESSAVG: 3993200 -4.80952 -4.95248 -23.139 -2.93952 -36.1551 4.72117 -21.0751 7.72902 56.2481 TIMING: 3993200 CPU: 11976.3, 0.00307606/step Wall: 11976.3, 0.00307606/step, 0.860272 hours remaining, 207.230469 MB of memory in use. ENERGY: 3993200 740.5558 2062.2871 1987.5276 107.5300 -206127.6130 17734.0536 0.0000 0.0000 34366.1563 -149129.5027 300.1282 -183495.6589 -149036.1729 299.3347 -15.9471 19.8473 556074.8298 4.9198 5.0945 PRESSURE: 3993400 -61.8863 32.5394 47.9982 32.5409 9.369 -112.32 47.9977 -112.32 112.331 GPRESSURE: 3993400 -56.683 44.8257 76.7455 43.9482 2.10706 -42.0557 101.185 -127.787 212.75 PRESSAVG: 3993400 -4.20666 5.34347 -28.7659 5.34337 -25.3882 -41.5232 -28.7659 -41.5231 39.7503 GPRESSAVG: 3993400 -5.03628 4.9566 -30.8686 4.925 -25.3022 -40.7888 -28.3764 -42.1465 40.7381 TIMING: 3993400 CPU: 11976.9, 0.00305064/step Wall: 11976.9, 0.00305064/step, 0.852993 hours remaining, 207.230469 MB of memory in use. ENERGY: 3993400 739.0974 2102.2192 1937.9574 119.3438 -206154.3456 17784.4489 0.0000 0.0000 34103.3000 -149367.9788 297.8326 -183471.2788 -149276.7771 298.8926 19.9377 52.7248 556789.5824 3.3851 3.4665 PRESSURE: 3993600 -24.7723 37.7553 29.7529 37.7555 11.7683 11.8687 29.7521 11.8681 -113.829 GPRESSURE: 3993600 -13.9386 161.796 79.466 -36.8815 68.2482 -114.607 12.4144 32.1639 -84.5193 PRESSAVG: 3993600 -19.5298 13.3025 -5.69169 13.3024 14.9962 -30.2228 -5.69157 -30.2228 27.9861 GPRESSAVG: 3993600 -19.2676 14.1789 -3.79051 12.3136 15.1493 -28.6599 -6.28227 -30.6071 27.5578 TIMING: 3993600 CPU: 11977.5, 0.00305829/step Wall: 11977.5, 0.00305829/step, 0.854963 hours remaining, 207.230469 MB of memory in use. ENERGY: 3993600 744.6510 2106.9502 1943.1728 102.3164 -206259.5700 17915.1421 0.0000 0.0000 34334.9818 -149112.3557 299.8559 -183447.3375 -149015.5699 298.8831 -42.2776 -10.0699 558921.9215 7.8175 7.8132 PRESSURE: 3993800 85.7972 -74.7428 -48.8575 -74.7429 -94.295 69.2003 -48.8584 69.2004 -274.149 GPRESSURE: 3993800 149.757 -81.3391 -130.368 -40.0539 -64.175 90.8509 38.0193 80.1072 -268.722 PRESSAVG: 3993800 71.946 -7.22462 -44.9463 -7.22455 8.71154 -10.4621 -44.9463 -10.4621 -57.9764 GPRESSAVG: 3993800 72.2332 -8.0766 -47.2172 -6.88095 7.77565 -10.3806 -43.6012 -10.6771 -57.2822 TIMING: 3993800 CPU: 11978.1, 0.00305217/step Wall: 11978.1, 0.00305217/step, 0.853082 hours remaining, 207.230469 MB of memory in use. ENERGY: 3993800 730.5143 2119.7953 1942.9992 106.3492 -205666.1292 17500.5872 0.0000 0.0000 34249.8492 -149016.0346 299.1125 -183265.8838 -148915.2416 299.4283 -94.2157 -61.0467 558165.7599 7.5604 7.5755 PRESSURE: 3994000 6.83018 67.2936 -59.3996 67.2934 34.3809 -131.643 -59.3995 -131.644 331.998 GPRESSURE: 3994000 41.5963 172.07 27.3987 -6.13174 106.374 -134.282 -124.38 -150.261 314.026 PRESSAVG: 3994000 11.9488 -18.2444 -18.5075 -18.2444 14.133 15.6707 -18.5075 15.6708 -18.1136 GPRESSAVG: 3994000 11.4971 -17.5431 -16.026 -17.1902 14.1841 15.0516 -20.4915 16.2294 -18.0664 TIMING: 3994000 CPU: 11978.7, 0.00305842/step Wall: 11978.7, 0.00305842/step, 0.854659 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: 3994000 735.3822 2131.3788 1975.8981 112.3374 -206007.0794 17813.8346 0.0000 0.0000 34244.1923 -148994.0562 299.0630 -183238.2485 -148897.9929 300.2091 124.4030 153.9988 556456.5733 2.6561 2.5383 PRESSURE: 3994200 178.095 -130.201 14.1422 -130.201 -112.946 -92.5058 14.1424 -92.5065 -92.5518 GPRESSURE: 3994200 251.57 -101.325 -42.1245 -107.634 -86.5925 -67.2684 -44.4467 -172.791 -95.1137 PRESSAVG: 3994200 -10.1152 -40.349 23.8121 -40.349 -39.0372 -40.825 23.8122 -40.8249 48.3286 GPRESSAVG: 3994200 -10.7142 -41.177 20.0102 -40.9076 -37.8494 -39.929 25.4109 -41.3453 47.9433 TIMING: 3994200 CPU: 11979.3, 0.00303869/step Wall: 11979.3, 0.00303869/step, 0.848977 hours remaining, 207.230469 MB of memory in use. ENERGY: 3994200 789.0238 2109.8286 1960.4436 124.4365 -206140.5956 17843.7957 0.0000 0.0000 34223.3250 -149089.7424 298.8808 -183313.0674 -148990.9735 300.3446 -9.1342 23.2878 557417.1756 -0.2746 -0.2068 PRESSURE: 3994400 237.027 -78.7444 136.289 -78.7457 -35.5219 -47.3449 136.289 -47.3443 122.697 GPRESSURE: 3994400 271.704 -88.0762 65.3083 -79.9299 -4.30191 -25.0496 163.664 0.0750004 147.553 PRESSAVG: 3994400 59.3449 5.37308 -51.7 5.37312 20.4003 -16.7756 -51.7 -16.7756 -49.1684 GPRESSAVG: 3994400 58.4172 7.91375 -47.9117 2.09803 19.772 -17.6283 -52.5347 -16.528 -48.3208 TIMING: 3994400 CPU: 11980, 0.00305317/step Wall: 11980, 0.00305317/step, 0.852851 hours remaining, 207.230469 MB of memory in use. ENERGY: 3994400 753.7819 2123.7065 1958.0040 106.0151 -206448.3130 17982.1674 0.0000 0.0000 34373.4466 -149151.1915 300.1919 -183524.6381 -149055.5670 299.6567 108.0672 138.3185 556873.0905 10.1923 9.9562 PRESSURE: 3994600 241.377 112.998 -39.5436 112.999 298.611 -150.083 -39.5437 -150.083 236.248 GPRESSURE: 3994600 229.081 91.5923 -40.6372 35.2962 330.851 -122.081 22.7247 -146.846 311.943 PRESSAVG: 3994600 -28.9671 6.96021 22.4589 6.96033 -13.5257 -23.8636 22.4588 -23.8636 7.82234 GPRESSAVG: 3994600 -29.5701 3.13669 20.0171 10.8912 -13.0845 -22.5902 22.5058 -25.2344 7.60884 TIMING: 3994600 CPU: 11980.6, 0.00304394/step Wall: 11980.6, 0.00304394/step, 0.850104 hours remaining, 207.230469 MB of memory in use. ENERGY: 3994600 799.6028 2024.6594 1946.6029 113.8598 -206214.3180 18086.1135 0.0000 0.0000 34297.3794 -148946.1002 299.5275 -183243.4796 -148844.9976 299.8724 258.7453 290.6253 557100.8019 -11.5568 -11.6819 PRESSURE: 3994800 -259.711 -89.2244 14.2602 -89.2239 -23.6325 34.4092 14.259 34.4084 -67.4987 GPRESSURE: 3994800 -270.461 -28.3864 35.8738 -126.94 53.075 28.3504 96.9988 53.8264 -34.2516 PRESSAVG: 3994800 28.7335 50.1061 -5.11534 50.1061 0.383341 -8.1489 -5.1153 -8.14897 -30.4402 GPRESSAVG: 3994800 29.8174 52.6864 -3.98507 50.3434 -1.09623 -8.06959 -4.82931 -7.26582 -30.1975 TIMING: 3994800 CPU: 11981.2, 0.00306109/step Wall: 11981.2, 0.00306109/step, 0.854725 hours remaining, 207.230469 MB of memory in use. ENERGY: 3994800 749.2706 2095.0020 1955.6114 117.5344 -205567.6819 17450.7870 0.0000 0.0000 34410.8318 -148788.6446 300.5184 -183199.4764 -148693.3158 300.5570 -116.9474 -83.8793 557546.7596 -0.4411 -0.4921 PRESSURE: 3995000 112.769 62.3967 125.029 62.3968 -144.277 262.725 125.029 262.724 -101.184 GPRESSURE: 3995000 104.692 9.70796 132.136 54.9057 -85.4629 231.828 80.5249 302.449 -52.2992 PRESSAVG: 3995000 -15.9729 -11.6562 4.92173 -11.6563 22.1136 27.6748 4.92168 27.6748 -23.7733 GPRESSAVG: 3995000 -16.3374 -11.864 4.75856 -14.9188 22.2427 25.2842 4.33305 29.6893 -23.7464 TIMING: 3995000 CPU: 11981.8, 0.00304558/step Wall: 11981.8, 0.00304558/step, 0.850224 hours remaining, 207.230469 MB of memory in use. ENERGY: 3995000 753.6329 2058.2254 1948.9518 113.6975 -205994.0160 17809.8302 0.0000 0.0000 34517.1998 -148792.4784 301.4473 -183309.6782 -148696.0971 300.2510 -44.2306 -11.0232 557603.3481 -5.8775 -5.9470 PRESSURE: 3995200 -204.642 -99.8792 112.139 -99.8792 0.238998 -78.4653 112.139 -78.4663 -313.258 GPRESSURE: 3995200 -174.798 -132.808 -7.36249 -150.214 43.3359 -102.914 137.456 -111.181 -271.353 PRESSAVG: 3995200 -25.8337 -9.91497 -5.94998 -9.91498 44.9092 -17.4908 -5.95 -17.4907 39.7383 GPRESSAVG: 3995200 -26.2418 -10.4635 -5.29646 -8.61114 44.9074 -15.829 -7.82406 -18.8269 40.2972 TIMING: 3995200 CPU: 11982.4, 0.00304075/step Wall: 11982.4, 0.00304075/step, 0.848708 hours remaining, 207.230469 MB of memory in use. ENERGY: 3995200 744.6843 2090.0794 1938.2836 107.7311 -205883.7474 17610.7445 0.0000 0.0000 34536.8471 -148855.3774 301.6189 -183392.2245 -148754.0579 300.6978 -172.5536 -134.2715 557230.3608 19.6046 19.6542 PRESSURE: 3995400 -332.768 67.4462 -143.951 67.4465 -400.858 -41.4372 -143.952 -41.4377 -299.613 GPRESSURE: 3995400 -349.084 46.9144 -87.2723 81.1297 -336.521 -64.4784 -172.52 -14.1029 -252.969 PRESSAVG: 3995400 -18.4972 -11.8151 -24.4365 -11.8151 82.095 7.17837 -24.4365 7.1783 -39.7119 GPRESSAVG: 3995400 -18.9432 -11.3234 -26.3928 -11.3818 81.3716 10.0032 -23.1406 4.36499 -38.9681 TIMING: 3995400 CPU: 11983, 0.0030621/step Wall: 11983, 0.0030621/step, 0.854495 hours remaining, 207.230469 MB of memory in use. ENERGY: 3995400 791.6679 2085.0607 1947.0354 103.0177 -205722.4092 17339.6311 0.0000 0.0000 34443.9995 -149011.9968 300.8080 -183455.9963 -148915.0100 300.0260 -344.4130 -312.8581 557941.2811 7.9620 7.8201 PRESSURE: 3995600 -180.443 -123.875 -177.45 -123.874 -153.713 -104.727 -177.45 -104.725 -340.29 GPRESSURE: 3995600 -119.996 -98.3785 -201.934 -192.442 -118.501 -62.6002 -145.783 -135.366 -325.14 PRESSAVG: 3995600 -29.5271 9.60543 -60.3751 9.60552 31.4185 -25.3291 -60.3751 -25.3293 -47.5259 GPRESSAVG: 3995600 -27.5768 8.69752 -58.0196 10.0103 31.9434 -26.6809 -58.9943 -22.644 -49.1732 TIMING: 3995600 CPU: 11983.6, 0.00303972/step Wall: 11983.6, 0.00303972/step, 0.848081 hours remaining, 207.230469 MB of memory in use. ENERGY: 3995600 789.5457 2066.6559 1930.5839 124.4805 -205492.9764 17392.2155 0.0000 0.0000 34071.1451 -149118.3497 297.5518 -183189.4948 -149016.5656 299.7443 -224.8155 -187.8787 557456.9868 -15.2115 -14.9356 PRESSURE: 3995800 283.817 -105.41 -203.104 -105.411 155.25 -107.09 -203.103 -107.09 153.237 GPRESSURE: 3995800 340.716 55.9563 -131.373 -196.402 101.721 -171.809 -188.005 -98.6457 254.474 PRESSAVG: 3995800 19.092 -24.4527 -20.2301 -24.4527 -1.18122 -1.4692 -20.2301 -1.46915 -17.6255 GPRESSAVG: 3995800 17.1733 -24.6948 -20.8545 -23.4977 -0.530343 -4.3326 -21.7414 -1.81002 -16.6214 TIMING: 3995800 CPU: 11984.2, 0.00309634/step Wall: 11984.2, 0.00309634/step, 0.863706 hours remaining, 207.230469 MB of memory in use. ENERGY: 3995800 776.0397 2080.4076 1926.4962 102.4019 -206562.7921 18065.6737 0.0000 0.0000 34302.5418 -149309.2311 299.5726 -183611.7729 -149212.0599 299.2234 197.4349 232.3036 555791.9688 0.0951 0.0072 PRESSURE: 3996000 -353.433 26.785 2.51515 26.7851 -212.807 -35.5711 2.51554 -35.5702 -97.7619 GPRESSURE: 3996000 -306.356 -10.395 -26.6193 57.9066 -145.13 -37.6566 -102.909 -8.152 -109.052 PRESSAVG: 3996000 7.76817 -12.7951 -67.9737 -12.7951 -19.9226 -17.0005 -67.9736 -17.0004 27.0668 GPRESSAVG: 3996000 8.2597 -11.8056 -68.888 -12.802 -19.8639 -16.8639 -67.4265 -17.3382 26.5619 TIMING: 3996000 CPU: 11984.9, 0.00307737/step Wall: 11984.9, 0.00307737/step, 0.858246 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: 3996000 753.6987 2102.7920 1971.1639 96.9679 -205745.8919 17420.2685 0.0000 0.0000 33974.1182 -149426.8826 296.7044 -183401.0009 -149324.0739 298.7886 -221.3338 -186.8461 556736.6878 4.9708 4.9859 PRESSURE: 3996200 -304.979 30.7565 -93.7435 30.7578 -12.3093 91.6664 -93.7433 91.667 -37.4534 GPRESSURE: 3996200 -232.12 13.0183 -92.7017 -15.3425 -46.2216 73.9459 -124.165 126.033 25.6255 PRESSAVG: 3996200 -13.767 48.2217 -35.556 48.2216 5.47013 8.51734 -35.5559 8.51742 -7.95846 GPRESSAVG: 3996200 -12.317 47.6523 -35.0787 45.3569 3.83663 11.2633 -36.1846 10.2442 -7.82553 TIMING: 3996200 CPU: 11985.5, 0.00305949/step Wall: 11985.5, 0.0030595/step, 0.853089 hours remaining, 207.230469 MB of memory in use. ENERGY: 3996200 739.1957 2053.8305 1930.5665 119.2704 -206524.1660 17760.6304 0.0000 0.0000 34499.4594 -149421.2131 301.2924 -183920.6725 -149327.7460 298.2925 -118.2472 -84.2386 557411.4678 -5.4185 -5.4353 LDB: ============= START OF LOAD BALANCING ============== 11988.9 LDB: ============== END OF LOAD BALANCING =============== 11988.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11988.9 LDB: ============= START OF LOAD BALANCING ============== 11989.2 LDB: Largest compute 4822 load 0.023680 is 20.1% of average load 0.118072 LDB: Average compute 0.001731 is 1.5% of average load 0.118072 LDB: TIME 11989.2 LOAD: AVG 0.118072 MAX 0.217098 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 204.52 MB LDB: TIME 11989.2 LOAD: AVG 0.118072 MAX 0.217098 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.578 MB LDB: TIME 11989.2 LOAD: AVG 0.118072 MAX 0.217098 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 204.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 11989.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 11989.2 PRESSURE: 3996400 -18.8968 -5.89737 -262.844 -5.89837 -175.793 -104.098 -262.843 -104.098 -288.572 GPRESSURE: 3996400 -6.54367 13.0465 -340.508 31.4398 -112.295 -79.0587 -164.868 -59.5567 -266.84 PRESSAVG: 3996400 -2.41048 -27.9718 -63.3805 -27.9719 8.72326 -6.76658 -63.3807 -6.7665 25.8832 GPRESSAVG: 3996400 -2.34781 -27.0424 -62.4653 -27.5382 10.703 -8.47599 -62.1 -9.56541 23.7844 TIMING: 3996400 CPU: 11986.1, 0.00310324/step Wall: 11986.1, 0.00310324/step, 0.865115 hours remaining, 207.082031 MB of memory in use. ENERGY: 3996400 738.2039 2090.8325 1952.6696 100.1999 -205876.4672 17563.8461 0.0000 0.0000 33947.6883 -149483.0268 296.4736 -183430.7151 -149387.9558 298.5124 -161.0874 -128.5597 558763.5498 10.7320 10.7132 PRESSURE: 3996600 -125.996 -71.0175 128.037 -71.0165 59.5017 -67.1969 128.037 -67.1987 65.7037 GPRESSURE: 3996600 -99.1267 -98.1478 112.949 -53.5701 65.8425 -13.2877 215.518 -93.1084 116.186 PRESSAVG: 3996600 -8.67695 3.10134 39.9207 3.10132 48.511 -14.3557 39.9206 -14.3557 -32.5217 GPRESSAVG: 3996600 -9.24157 0.943057 36.9684 5.59499 47.9225 -13.1627 42.7495 -13.3203 -31.7559 TIMING: 3996600 CPU: 11986.7, 0.0030414/step Wall: 11986.7, 0.0030414/step, 0.847707 hours remaining, 207.285156 MB of memory in use. ENERGY: 3996600 792.2134 2096.2534 1945.9696 107.4497 -206264.3706 17729.3418 0.0000 0.0000 34151.6698 -149441.4729 298.2550 -183593.1427 -149349.4116 298.3996 -0.2634 27.6338 556533.5357 2.4374 2.3083 PRESSURE: 3996800 -108.286 -33.485 -16.1253 -33.4849 195.018 83.5856 -16.1246 83.585 -118.227 GPRESSURE: 3996800 -67.565 -13.2322 64.7849 -39.8602 247.947 30.4155 -8.91787 137.832 -111.82 PRESSAVG: 3996800 -4.67139 -10.2157 -30.5943 -10.2157 1.54259 20.0664 -30.5944 20.0665 1.94218 GPRESSAVG: 3996800 -5.305 -7.65272 -28.4914 -12.6588 2.62795 18.7829 -34.5191 19.9734 1.533 TIMING: 3996800 CPU: 11987.3, 0.00300473/step Wall: 11987.3, 0.00300473/step, 0.837318 hours remaining, 207.285156 MB of memory in use. ENERGY: 3996800 717.9952 2080.3602 1936.9391 115.7561 -206240.7574 17813.6956 0.0000 0.0000 34170.2247 -149405.7866 298.4171 -183576.0113 -149299.8591 298.4980 -10.4982 22.8540 557082.2416 -0.3955 -0.3813 PRESSURE: 3997000 285.13 -27.6741 82.1343 -27.6739 129.949 -128.504 82.134 -128.505 62.7038 GPRESSURE: 3997000 303.839 -31.827 38.462 30.6016 118.116 -186.374 28.6023 -87.8024 148.363 PRESSAVG: 3997000 -0.101711 0.586049 13.8153 0.586069 12.4311 -69.287 13.8153 -69.2871 -15.9636 GPRESSAVG: 3997000 0.594016 -1.0861 11.7205 3.54348 10.772 -67.848 15.5922 -69.2071 -15.2034 TIMING: 3997000 CPU: 11987.9, 0.00303389/step Wall: 11987.9, 0.00303389/step, 0.845275 hours remaining, 207.285156 MB of memory in use. ENERGY: 3997000 760.6611 2071.1664 1950.9953 114.7824 -206580.6815 18124.7262 0.0000 0.0000 34197.5846 -149360.7655 298.6560 -183558.3501 -149262.1064 298.1518 159.2609 190.1061 557313.7962 -1.2114 -1.2791 PRESSURE: 3997200 -31.06 111.72 100.328 111.721 29.6454 123.879 100.328 123.878 179.427 GPRESSURE: 3997200 36.6904 44.0345 111.455 66.8401 71.4481 -29.1951 38.8053 258.468 172.221 PRESSAVG: 3997200 50.0109 11.294 -6.00245 11.294 -52.5883 -22.4047 -6.00247 -22.4046 12.5719 GPRESSAVG: 3997200 49.5187 13.5795 -5.27701 9.32693 -51.7753 -24.2698 -7.3488 -21.2812 12.1436 TIMING: 3997200 CPU: 11988.5, 0.00303557/step Wall: 11988.5, 0.00303557/step, 0.845575 hours remaining, 207.285156 MB of memory in use. ENERGY: 3997200 761.5899 2055.4064 1963.1268 97.6903 -206298.3760 17913.8559 0.0000 0.0000 34188.5285 -149318.1783 298.5769 -183506.7068 -149217.8489 298.0774 59.3373 93.4531 559230.2005 3.3315 3.2957 PRESSURE: 3997400 -94.4079 -14.7566 -142.098 -14.7573 -59.2028 2.4619 -142.098 2.4646 -409.33 GPRESSURE: 3997400 -13.6966 28.647 -36.4017 6.3817 -86.4004 -61.9478 -252.271 3.55252 -353.892 PRESSAVG: 3997400 17.5007 -48.8572 -1.86639 -48.8573 53.7463 41.6974 -1.86637 41.6973 -45.7648 GPRESSAVG: 3997400 17.3721 -51.3632 0.438314 -48.2329 53.6762 41.2541 -1.93794 40.3707 -45.2266 TIMING: 3997400 CPU: 11989.1, 0.00300456/step Wall: 11989.1, 0.00300455/step, 0.836768 hours remaining, 207.285156 MB of memory in use. ENERGY: 3997400 787.3343 2046.3025 1967.0061 122.1363 -206054.3836 17694.4893 0.0000 0.0000 34087.9373 -149349.1778 297.6984 -183437.1151 -149251.7528 298.4774 -187.6469 -151.3298 558130.2861 8.4941 8.6072 PRESSURE: 3997600 -146.168 -246.326 -208.675 -246.326 130.462 7.62926 -208.675 7.63019 -171.359 GPRESSURE: 3997600 -95.9963 -207.876 -97.2181 -222.638 135.783 59.1752 -238.528 -58.745 -133.546 PRESSAVG: 3997600 25.0768 -37.8827 -35.483 -37.8827 1.58191 -33.1421 -35.483 -33.1421 -22.5367 GPRESSAVG: 3997600 26.2709 -38.2356 -36.1034 -37.2199 1.83258 -32.5582 -34.3554 -32.8603 -23.6312 TIMING: 3997600 CPU: 11989.7, 0.00303031/step Wall: 11989.7, 0.00303031/step, 0.843773 hours remaining, 207.285156 MB of memory in use. ENERGY: 3997600 756.4839 2040.8612 1949.2625 115.2501 -206185.9951 17904.0599 0.0000 0.0000 34077.4797 -149342.5979 297.6071 -183420.0775 -149247.9206 298.4765 -62.3549 -31.2532 558891.1015 1.3740 1.4907 PRESSURE: 3997800 -200.335 96.6945 -40.3534 96.6935 -36.1613 -185.194 -40.3537 -185.194 -145.743 GPRESSURE: 3997800 -197.221 116.572 -27.3955 116.873 5.49334 -217.793 -16.1029 -172.913 -80.4009 PRESSAVG: 3997800 -19.065 -37.2264 -24.9421 -37.2264 51.075 -29.8978 -24.9421 -29.8978 -3.97309 GPRESSAVG: 3997800 -20.5841 -35.7082 -23.6807 -38.7025 51.0663 -30.4919 -24.5021 -28.6995 -2.46527 TIMING: 3997800 CPU: 11990.3, 0.00306241/step Wall: 11990.3, 0.00306241/step, 0.85254 hours remaining, 207.285156 MB of memory in use. ENERGY: 3997800 762.2850 2084.1583 1948.4552 114.0450 -205722.2962 17466.6140 0.0000 0.0000 34066.8858 -149279.8530 297.5146 -183346.7388 -149178.6364 298.9834 -127.4133 -90.7097 557759.3576 9.3456 9.3390 PRESSURE: 3998000 -58.2404 163.322 -33.5686 163.323 -118.007 -33.8853 -33.5691 -33.8865 -28.8886 GPRESSURE: 3998000 25.1504 103.873 -36.0949 201.653 -76.0964 42.891 -15.6779 -71.058 -51.9061 PRESSAVG: 3998000 -38.4048 27.0418 -5.88583 27.0419 32.9552 -50.8304 -5.88581 -50.8304 18.828 GPRESSAVG: 3998000 -37.0017 26.0588 -7.63018 27.5579 33.2768 -51.1707 -7.43296 -51.6808 17.4623 TIMING: 3998000 CPU: 11990.9, 0.0030654/step Wall: 11990.9, 0.0030654/step, 0.853204 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: 3998000 735.9914 2068.6538 1950.5867 112.2735 -205912.2118 17552.6340 0.0000 0.0000 34130.3894 -149361.6831 298.0692 -183492.0724 -149259.9123 298.6016 -68.3787 -34.2840 558058.7654 4.4595 4.5791 PRESSURE: 3998200 -283.997 74.9485 152.557 74.948 -98.5831 -89.3493 152.557 -89.3497 -140.81 GPRESSURE: 3998200 -222.431 116.028 165.623 103.15 -85.4706 -98.3184 221.554 -58.921 -108.631 PRESSAVG: 3998200 -35.228 -80.9737 48.127 -80.9737 1.73632 -5.20509 48.127 -5.20518 7.65775 GPRESSAVG: 3998200 -35.7403 -79.8484 48.6305 -82.517 0.149293 -4.159 47.5482 -5.51393 9.50858 TIMING: 3998200 CPU: 11991.6, 0.00307122/step Wall: 11991.6, 0.00307122/step, 0.854652 hours remaining, 207.285156 MB of memory in use. ENERGY: 3998200 724.3243 2097.7824 1959.7065 121.5386 -206030.9269 17597.7151 0.0000 0.0000 34127.3859 -149402.4740 298.0429 -183529.8599 -149303.5384 298.3134 -174.4634 -138.8445 557399.6378 -8.6113 -8.6942 PRESSURE: 3998400 44.5653 146.147 87.3236 146.146 71.4553 -126.31 87.3248 -126.311 157.343 GPRESSURE: 3998400 92.1848 117.893 146.039 99.6462 145.513 -164.09 135.537 -44.6052 128.828 PRESSAVG: 3998400 -36.2624 33.3996 62.8516 33.3996 41.0387 -0.647729 62.8516 -0.647746 7.15741 GPRESSAVG: 3998400 -36.5872 32.7141 62.7344 33.0364 42.8288 -0.261063 63.9654 -0.188906 5.70934 TIMING: 3998400 CPU: 11992.2, 0.00308081/step Wall: 11992.2, 0.00308081/step, 0.85715 hours remaining, 207.285156 MB of memory in use. ENERGY: 3998400 726.8366 2127.0446 1949.5468 113.0687 -206288.2250 17883.8102 0.0000 0.0000 34272.8541 -149215.0639 299.3134 -183487.9181 -149122.2265 298.9009 91.1212 122.1753 557741.5579 3.9779 3.9837 PRESSURE: 3998600 35.2998 -163.442 -0.845751 -163.442 -223.517 22.5997 -0.845767 22.6022 -150.879 GPRESSURE: 3998600 91.081 -161.041 82.9047 -157.152 -167.731 63.5513 22.6354 8.80469 -149.279 PRESSAVG: 3998600 58.4255 13.4366 24.6341 13.4366 -47.0813 -41.8989 24.634 -41.8987 1.45402 GPRESSAVG: 3998600 58.0045 11.4186 24.1084 15.4122 -46.7169 -41.4296 24.9927 -42.5568 1.60327 TIMING: 3998600 CPU: 11992.8, 0.00307132/step Wall: 11992.8, 0.00307132/step, 0.854338 hours remaining, 207.285156 MB of memory in use. ENERGY: 3998600 770.3543 2082.1802 1977.7264 111.6605 -206136.5579 17663.1912 0.0000 0.0000 34389.3646 -149142.0806 300.3309 -183531.4452 -149047.5626 299.5876 -113.0320 -75.3096 557935.4410 4.2661 4.2970 PRESSURE: 3998800 -169.776 -41.0418 -63.906 -41.0404 -3.8897 -170.972 -63.9063 -170.971 -62.9579 GPRESSURE: 3998800 -112.126 -91.9853 -128.766 -106.118 -7.12639 -121.163 -43.7703 -184.306 -26.0991 PRESSAVG: 3998800 120.925 -26.8667 38.5745 -26.8668 -20.3676 -54.5892 38.5745 -54.5892 -66.2622 GPRESSAVG: 3998800 120.515 -25.927 36.8647 -27.1168 -20.9425 -54.4086 41.1156 -54.5844 -65.4627 TIMING: 3998800 CPU: 11993.4, 0.0030966/step Wall: 11993.4, 0.0030966/step, 0.861198 hours remaining, 207.285156 MB of memory in use. ENERGY: 3998800 751.1170 2097.8682 1937.0986 114.9325 -206237.7004 17802.7496 0.0000 0.0000 34247.5206 -149286.4140 299.0921 -183533.9345 -149186.7625 299.8088 -78.8744 -48.4504 559131.9555 11.4316 11.3700 PRESSURE: 3999000 108.574 -124.054 -1.48718 -124.055 -207.637 129.293 -1.4877 129.291 -304.852 GPRESSURE: 3999000 143.401 -154.688 5.59217 -60.9567 -147.765 246.244 -54.7181 80.9858 -303.04 PRESSAVG: 3999000 119.328 -19.8258 15.5791 -19.8258 -31.8202 -73.0194 15.579 -73.0196 -72.2916 GPRESSAVG: 3999000 120.936 -18.7347 16.9994 -19.7303 -31.5258 -72.9789 12.8845 -72.0955 -73.763 TIMING: 3999000 CPU: 11994, 0.00309281/step Wall: 11994, 0.00309281/step, 0.859974 hours remaining, 207.285156 MB of memory in use. ENERGY: 3999000 743.6298 2143.5757 1935.1357 107.5709 -206251.8432 17703.0384 0.0000 0.0000 34448.9671 -149169.9256 300.8514 -183618.8927 -149069.9354 299.6263 -134.6382 -102.4679 558346.7685 5.0720 5.2159 PRESSURE: 3999200 -18.8168 -17.3203 94.6076 -17.3204 -20.4281 -181.955 94.6081 -181.955 -142.55 GPRESSURE: 3999200 7.54689 -20.6701 74.2683 -6.99146 -4.14647 -257.294 86.3781 -173.998 -90.3906 PRESSAVG: 3999200 15.006 18.3155 56.9702 18.3155 35.1862 -10.0111 56.9702 -10.011 -54.9281 GPRESSAVG: 3999200 15.0364 17.7368 57.3611 16.833 34.8998 -10.8455 58.1291 -9.49443 -54.8856 TIMING: 3999200 CPU: 11994.6, 0.00307902/step Wall: 11994.6, 0.00307902/step, 0.855969 hours remaining, 207.285156 MB of memory in use. ENERGY: 3999200 750.6494 2097.7859 1933.0467 114.0583 -205918.5876 17723.4081 0.0000 0.0000 34232.8639 -149066.7753 298.9641 -183299.6392 -148965.8821 299.8533 -60.5981 -28.9967 558891.1611 -1.5786 -1.6498 PRESSURE: 3999400 -198.229 -110.563 -8.20317 -110.564 -417.984 16.8051 -8.20243 16.8044 -258.12 GPRESSURE: 3999400 -211.099 -117.452 -32.8717 -127.758 -364.547 -26.3176 100.672 120.741 -178.637 PRESSAVG: 3999400 29.5251 25.8669 -1.2603 25.8669 -4.7145 -40.0315 -1.26036 -40.0315 -18.6909 GPRESSAVG: 3999400 28.296 25.5753 -2.83838 27.6119 -3.83409 -38.4555 -1.22114 -40.8357 -18.7331 TIMING: 3999400 CPU: 11995.3, 0.00310736/step Wall: 11995.3, 0.00310736/step, 0.863673 hours remaining, 207.285156 MB of memory in use. ENERGY: 3999400 781.0571 2135.0949 1962.9025 106.9519 -205857.1513 17513.7081 0.0000 0.0000 34204.8242 -149152.6126 298.7192 -183357.4368 -149053.5974 299.6013 -291.4443 -251.4277 558472.3873 2.0399 1.9096 PRESSURE: 3999600 197.164 178.327 -37.8072 178.328 148.001 -12.1244 -37.809 -12.1264 46.1452 GPRESSURE: 3999600 261.452 263.324 -143.32 55.2627 186.522 -126.058 -62.283 66.5655 41.7761 PRESSAVG: 3999600 -7.41624 22.6783 -39.5039 22.6783 -7.01662 -13.1393 -39.504 -13.1392 13.0574 GPRESSAVG: 3999600 -6.35318 22.1928 -37.986 20.6314 -8.99834 -14.214 -41.3844 -12.8899 13.7702 TIMING: 3999600 CPU: 11995.9, 0.00308752/step Wall: 11995.9, 0.00308752/step, 0.857988 hours remaining, 207.285156 MB of memory in use. ENERGY: 3999600 755.3745 2141.8218 1937.1089 114.2710 -206517.7371 18101.3295 0.0000 0.0000 34321.3821 -149146.4492 299.7372 -183467.8313 -149051.6507 299.7986 130.4370 163.2499 558180.7706 -0.4585 -0.5271 PRESSURE: 3999800 -293.421 -18.4495 43.1071 -18.4498 36.8498 105.021 43.1078 105.021 -206.343 GPRESSURE: 3999800 -228.094 -47.6322 88.3043 -40.1218 74.4325 83.3709 40.9183 91.1717 -207.747 PRESSAVG: 3999800 5.98034 5.99395 -78.8592 5.99398 -16.7814 5.97947 -78.8591 5.97935 -1.47674 GPRESSAVG: 3999800 4.83641 3.30604 -78.2567 8.7849 -16.3079 6.16984 -79.8451 6.3867 -1.55709 TIMING: 3999800 CPU: 11996.5, 0.00303754/step Wall: 11996.5, 0.00303754/step, 0.84393 hours remaining, 207.285156 MB of memory in use. ENERGY: 3999800 704.9334 2101.5381 1950.0978 111.4822 -205591.6956 17466.0191 0.0000 0.0000 34131.1097 -149126.5152 298.0755 -183257.6249 -149028.9041 299.7451 -154.3046 -120.4695 559253.6281 -4.0926 -4.3429 PRESSURE: 4000000 63.4018 -181.786 24.4643 -181.786 -345.283 109.77 24.4628 109.771 -121.134 GPRESSURE: 4000000 84.8186 -204.569 3.30594 -235.601 -334.684 119.938 -43.9055 48.2662 -52.9501 PRESSAVG: 4000000 19.2106 -18.3575 -21.9003 -18.3575 -22.4498 29.1543 -21.9004 29.1543 3.92353 GPRESSAVG: 4000000 19.5667 -14.7494 -22.7309 -19.3145 -22.0232 28.9399 -21.3342 29.8282 3.88576 TIMING: 4000000 CPU: 11997.1, 0.00307039/step Wall: 11997.1, 0.00307039/step, 0.852885 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: 4000000 759.9591 2069.7174 1926.8694 121.6738 -205903.9288 17523.4511 0.0000 0.0000 34408.7002 -149093.5578 300.4997 -183502.2580 -148993.9237 299.2675 -134.3385 -100.9386 558173.6284 0.2281 0.4764 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4000000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4000000 WRITING COORDINATES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4000000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4000200 -66.5524 -92.284 58.8998 -92.2833 -23.0369 120.143 58.8989 120.142 313.14 GPRESSURE: 4000200 -41.7585 -100.843 45.023 -63.1764 -22.9419 19.8199 42.6075 181.331 385.114 PRESSAVG: 4000200 100.564 -23.6736 34.7703 -23.6735 -66.9454 -16.617 34.7703 -16.617 15.8927 GPRESSAVG: 4000200 100.9 -24.4077 35.3371 -23.7505 -67.6268 -16.875 35.6123 -18.3357 16.5891 TIMING: 4000200 CPU: 11997.8, 0.0033591/step Wall: 11997.8, 0.0033591/step, 0.932896 hours remaining, 207.285156 MB of memory in use. ENERGY: 4000200 748.7713 2089.4663 1952.2802 107.7522 -206345.8222 17944.9735 0.0000 0.0000 34201.8893 -149300.6894 298.6936 -183502.5787 -149210.1691 299.2566 74.5169 106.8045 556488.7800 16.5039 16.6207 LDB: ============= START OF LOAD BALANCING ============== 12001.2 LDB: ============== END OF LOAD BALANCING =============== 12001.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12001.2 LDB: ============= START OF LOAD BALANCING ============== 12001.5 LDB: Largest compute 4822 load 0.024555 is 20.8% of average load 0.118100 LDB: Average compute 0.001736 is 1.5% of average load 0.118100 LDB: TIME 12001.5 LOAD: AVG 0.1181 MAX 0.22206 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.602 MB LDB: TIME 12001.5 LOAD: AVG 0.1181 MAX 0.22206 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.664 MB LDB: TIME 12001.5 LOAD: AVG 0.1181 MAX 0.22206 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.664 MB LDB: ============== END OF LOAD BALANCING =============== 12001.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12001.5 PRESSURE: 4000400 -180.037 -69.4781 -64.5084 -69.4771 -231.406 -189.82 -64.5088 -189.82 -76.6491 GPRESSURE: 4000400 -136.852 10.5965 -101.37 -64.7111 -231.76 -183.133 -71.2004 -108.482 -29.7603 PRESSAVG: 4000400 -3.45894 -15.3815 -19.7772 -15.3815 -87.2648 -19.1099 -19.7773 -19.11 74.1987 GPRESSAVG: 4000400 -4.04796 -14.5655 -20.1042 -15.9922 -86.4897 -19.9234 -20.1178 -17.37 74.1746 TIMING: 4000400 CPU: 11998.4, 0.00311156/step Wall: 11998.4, 0.00311157/step, 0.863978 hours remaining, 206.761719 MB of memory in use. ENERGY: 4000400 767.9446 2128.9689 1955.4923 114.5038 -206101.0567 17525.1390 0.0000 0.0000 34211.6566 -149397.3514 298.7789 -183609.0081 -149305.0031 298.8573 -162.6971 -132.7909 557032.3205 -5.5083 -5.4543 PRESSURE: 4000600 111.955 -65.8686 0.381712 -65.8695 39.1402 9.30359 0.381897 9.30337 13.7736 GPRESSURE: 4000600 184.584 -27.9905 -28.8102 -30.4144 55.3413 85.5676 80.2415 -29.6381 26.2113 PRESSAVG: 4000600 17.8835 -8.15046 34.5155 -8.15047 -28.5889 -36.819 34.5155 -36.8191 65.2336 GPRESSAVG: 4000600 18.6759 -10.1857 34.1372 -7.22137 -28.17 -35.4999 35.216 -36.8983 64.7147 TIMING: 4000600 CPU: 11999, 0.00307256/step Wall: 11999, 0.00307256/step, 0.852978 hours remaining, 206.761719 MB of memory in use. ENERGY: 4000600 697.9126 2077.9907 1978.7832 118.2782 -206510.8490 17866.0519 0.0000 0.0000 34301.7701 -149470.0623 299.5659 -183771.8324 -149364.2498 298.7950 54.9564 88.7122 556985.4918 18.1761 18.4069 PRESSURE: 4000800 -222.228 200.505 88.7799 200.506 -201.605 55.4541 88.7806 55.455 -281.898 GPRESSURE: 4000800 -132.787 148.058 -12.4309 165.892 -183.525 50.113 181.635 59.5176 -293.122 PRESSAVG: 4000800 -31.176 -7.85259 55.4984 -7.85251 -6.66932 -27.8651 55.4983 -27.8651 -5.07239 GPRESSAVG: 4000800 -31.3576 -6.19898 55.139 -8.29895 -7.17824 -28.8779 56.576 -28.2523 -4.25315 TIMING: 4000800 CPU: 11999.6, 0.00307707/step Wall: 11999.6, 0.00307707/step, 0.854059 hours remaining, 206.761719 MB of memory in use. ENERGY: 4000800 738.4156 2102.5470 1941.8167 106.8586 -206211.4132 17613.9525 0.0000 0.0000 34371.0123 -149336.8104 300.1706 -183707.8227 -149239.8699 299.1339 -235.2440 -203.1448 557116.2144 -14.3059 -14.2630 PRESSURE: 4001000 -62.3952 -33.1406 -112.843 -33.1405 152.793 8.6014 -112.843 8.60206 -114.902 GPRESSURE: 4001000 3.4965 -49.4023 -101.958 28.0094 150.541 33.8611 -61.1025 72.9045 -88.3304 PRESSAVG: 4001000 107.462 -22.8851 21.7401 -22.885 -44.8063 -18.4897 21.7401 -18.4897 -91.8219 GPRESSAVG: 4001000 105.594 -22.8265 21.856 -21.8717 -43.7994 -15.8502 20.5119 -17.4802 -91.1914 TIMING: 4001000 CPU: 12000.2, 0.00310723/step Wall: 12000.2, 0.00310723/step, 0.862257 hours remaining, 206.761719 MB of memory in use. ENERGY: 4001000 715.2555 2094.3928 1964.1461 121.9292 -206169.5470 17810.3027 0.0000 0.0000 34145.5847 -149317.9360 298.2019 -183463.5207 -149219.4778 299.4867 -8.1681 21.9024 556825.5212 -9.7219 -9.7989 PRESSURE: 4001200 -52.1988 -140.506 -40.7475 -140.506 -206.197 -43.7794 -40.7472 -43.7802 -158.713 GPRESSURE: 4001200 -41.9908 -170.079 -35.6097 -74.0185 -115.58 -35.5752 -50.1001 -44.6822 -164.19 PRESSAVG: 4001200 -34.238 -32.1533 -38.8401 -32.1534 120.48 -21.595 -38.8402 -21.595 -73.1872 GPRESSAVG: 4001200 -33.6005 -32.2299 -38.1398 -32.4172 119.118 -22.668 -37.8288 -23.3145 -72.918 TIMING: 4001200 CPU: 12000.9, 0.00310832/step Wall: 12000.9, 0.00310832/step, 0.862385 hours remaining, 206.761719 MB of memory in use. ENERGY: 4001200 762.4069 2086.7556 1935.4146 102.8543 -206177.0358 17676.4658 0.0000 0.0000 34131.7083 -149481.4305 298.0807 -183613.1387 -149388.2098 298.7201 -139.0364 -107.2534 556873.8420 4.3516 4.1997 PRESSURE: 4001400 -34.4171 50.6991 -246.701 50.6996 -2.66762 -3.96134 -246.701 -3.96178 -7.0906 GPRESSURE: 4001400 -61.3944 27.7146 -199.989 78.8704 76.5338 -68.1574 -210.355 -17.9456 35.6292 PRESSAVG: 4001400 66.1561 -23.6685 -31.3222 -23.6685 -22.6808 26.442 -31.3223 26.4419 -2.32978 GPRESSAVG: 4001400 66.1269 -23.1245 -32.2906 -24.74 -21.7277 23.826 -31.9726 28.3698 -2.6756 TIMING: 4001400 CPU: 12001.5, 0.00307982/step Wall: 12001.5, 0.00307982/step, 0.854307 hours remaining, 206.761719 MB of memory in use. ENERGY: 4001400 748.5977 2077.0401 1951.7818 107.4363 -206428.0090 17817.3730 0.0000 0.0000 34139.4970 -149586.2831 298.1487 -183725.7801 -149497.1304 298.3278 -14.7251 16.9229 556134.2457 13.7152 13.9079 PRESSURE: 4001600 28.9543 127.339 58.3293 127.338 -81.006 -11.1652 58.3296 -11.1639 -214.014 GPRESSURE: 4001600 92.5401 170.665 36.4704 101.495 -116.334 -87.461 117.363 -30.095 -151.628 PRESSAVG: 4001600 -18.7831 25.6303 -15.7122 25.6304 11.3003 27.0735 -15.7121 27.0735 -0.975323 GPRESSAVG: 4001600 -18.7809 24.1076 -15.2677 25.3031 11.0089 29.388 -16.0069 24.4416 -0.813463 TIMING: 4001600 CPU: 12002.1, 0.00308274/step Wall: 12002.1, 0.00308274/step, 0.854947 hours remaining, 206.761719 MB of memory in use. ENERGY: 4001600 790.0722 2063.9798 1976.7622 106.1292 -206351.3379 17796.4561 0.0000 0.0000 34048.3767 -149569.5618 297.3529 -183617.9384 -149474.1221 298.1623 -88.6887 -58.4740 555627.4119 -2.8194 -2.8618 PRESSURE: 4001800 -361.63 98.863 -113.95 98.8641 -111.767 84.5591 -113.951 84.5584 -58.9919 GPRESSURE: 4001800 -258.406 93.6303 -67.7128 78.8645 -108.28 85.7317 -130.994 116.948 -64.309 PRESSAVG: 4001800 72.522 59.1073 38.9976 59.1071 4.20512 3.97124 38.9976 3.97129 -42.6333 GPRESSAVG: 4001800 72.6302 59.4649 40.1723 60.0257 4.67776 3.05889 40.6624 7.10672 -42.2956 TIMING: 4001800 CPU: 12002.7, 0.0031081/step Wall: 12002.7, 0.0031081/step, 0.861808 hours remaining, 206.761719 MB of memory in use. ENERGY: 4001800 758.5394 2171.7337 1929.3673 118.5788 -206386.6879 17677.5687 0.0000 0.0000 34055.6302 -149675.2698 297.4163 -183730.9001 -149579.7970 298.5590 -177.4629 -143.6650 557179.9241 11.3646 11.6708 PRESSURE: 4002000 -349.836 60.8825 49.7466 60.8827 -63.4881 133.487 49.7465 133.486 -69.2388 GPRESSURE: 4002000 -349.354 -34.2841 -56.4851 88.6843 -10.6753 153.887 184.594 123.513 -40.5425 PRESSAVG: 4002000 -42.2303 -22.6803 49.6705 -22.6803 21.2979 1.79932 49.6704 1.7992 61.3507 GPRESSAVG: 4002000 -43.0039 -22.5943 48.9707 -24.1081 22.8193 1.6244 48.3746 -0.182474 60.672 TIMING: 4002000 CPU: 12003.3, 0.00308437/step Wall: 12003.3, 0.00308437/step, 0.855055 hours remaining, 206.761719 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: 4002000 752.3362 2076.3807 1937.6473 119.2301 -206297.0227 17538.6340 0.0000 0.0000 34162.6632 -149710.1312 298.3510 -183872.7944 -149606.0723 297.8492 -160.8543 -133.5240 556046.0168 13.4728 13.4958 PRESSURE: 4002200 -42.6738 32.9992 41.7594 32.9988 -87.2796 131.433 41.7604 131.433 -76.1884 GPRESSURE: 4002200 -8.46314 -43.0735 33.8478 13.3338 -39.4303 81.387 82.9209 124.766 -63.458 PRESSAVG: 4002200 -69.7788 29.2174 -14.338 29.2174 68.0828 49.5729 -14.338 49.5728 42.9812 GPRESSAVG: 4002200 -68.853 29.5224 -13.8376 29.7548 65.5371 50.301 -15.3962 49.921 44.5461 TIMING: 4002200 CPU: 12003.9, 0.00304014/step Wall: 12003.9, 0.00304014/step, 0.842624 hours remaining, 206.761719 MB of memory in use. ENERGY: 4002200 778.2917 2118.6742 1935.7692 114.4659 -206599.3632 17852.4181 0.0000 0.0000 34106.7663 -149692.9777 297.8629 -183799.7440 -149599.5412 297.4210 -68.7139 -37.1171 558215.6957 13.7618 13.7434 PRESSURE: 4002400 -246.661 84.9679 -31.1543 84.967 -115.438 -107.326 -31.1551 -107.327 -171.53 GPRESSURE: 4002400 -235.847 5.44484 4.12812 45.3779 -65.0358 -132.674 -77.5826 -20.869 -145.382 PRESSAVG: 4002400 -34.5035 -1.71923 -17.7457 -1.71918 -7.50209 -7.34739 -17.7456 -7.34738 24.6743 GPRESSAVG: 4002400 -33.8267 -3.27993 -19.8829 -0.171963 -6.7948 -8.88185 -15.3138 -7.70877 23.0437 TIMING: 4002400 CPU: 12004.6, 0.00310385/step Wall: 12004.6, 0.00310385/step, 0.86011 hours remaining, 206.761719 MB of memory in use. ENERGY: 4002400 754.5040 2070.4722 1955.2488 118.5405 -206726.6717 17662.0802 0.0000 0.0000 34483.4847 -149682.3413 301.1528 -184165.8260 -149588.9897 297.7235 -177.8762 -148.7549 557935.7531 -5.7771 -5.8593 PRESSURE: 4002600 36.7193 153.959 -114.505 153.959 270.406 -140.329 -114.505 -140.328 -186.633 GPRESSURE: 4002600 20.8854 80.6737 -94.3429 137.132 300.674 -55.9813 -56.3744 -145.377 -121.853 PRESSAVG: 4002600 10.8773 61.3064 -6.86895 61.3063 -49.4709 -12.9245 -6.86898 -12.9245 44.1366 GPRESSAVG: 4002600 10.1044 63.3965 -5.36007 59.0507 -48.5678 -11.5552 -6.98014 -13.7159 44.2579 TIMING: 4002600 CPU: 12005.2, 0.0030761/step Wall: 12005.2, 0.0030761/step, 0.852251 hours remaining, 206.761719 MB of memory in use. ENERGY: 4002600 745.7143 2104.5727 1926.0544 111.3298 -206783.9792 18043.0817 0.0000 0.0000 34017.6610 -149835.5653 297.0847 -183853.2263 -149748.8430 298.0492 40.1641 66.5688 556868.1194 1.8477 1.9315 PRESSURE: 4002800 174.416 -90.9677 48.8248 -90.9682 45.9572 8.02921 48.8254 8.02916 245.146 GPRESSURE: 4002800 172.57 -65.7824 26.8544 -160.678 115.967 -13.8544 97.3439 -2.52553 274.877 PRESSAVG: 4002800 -24.7135 9.48651 -26.0311 9.4866 56.5504 -50.8307 -26.0312 -50.8307 -5.42712 GPRESSAVG: 4002800 -25.6375 7.02914 -25.0565 11.2788 56.6105 -50.3391 -27.6697 -50.3446 -4.32838 TIMING: 4002800 CPU: 12005.8, 0.00307126/step Wall: 12005.8, 0.00307126/step, 0.850739 hours remaining, 206.761719 MB of memory in use. ENERGY: 4002800 777.4714 2120.4603 1963.4306 112.0913 -207207.7130 18291.6643 0.0000 0.0000 33929.4175 -150013.1776 296.3140 -183942.5951 -149915.5222 297.2640 155.1732 187.8046 556192.9245 8.8032 8.8816 PRESSURE: 4003000 -68.6307 -69.7298 68.8166 -69.7312 -4.29759 -218.108 68.816 -218.108 -227.66 GPRESSURE: 4003000 -87.2905 -63.5475 106.106 -52.0958 65.0109 -139.828 40.1193 -287.57 -197.142 PRESSAVG: 4003000 -4.38858 -31.2651 57.9087 -31.2651 54.2761 -2.6949 57.9087 -2.69491 -26.4798 GPRESSAVG: 4003000 -3.7654 -29.5785 57.6547 -31.468 54.1353 -3.64951 59.7213 -4.19447 -26.6671 TIMING: 4003000 CPU: 12006.4, 0.00306672/step Wall: 12006.4, 0.00306672/step, 0.84931 hours remaining, 206.761719 MB of memory in use. ENERGY: 4003000 771.0320 2123.5808 1953.6176 107.1145 -206647.9376 17742.1342 0.0000 0.0000 34158.2881 -149792.1704 298.3128 -183950.4585 -149702.7865 297.5792 -100.1961 -73.1404 556750.3797 7.8025 7.9009 PRESSURE: 4003200 -366.516 -165.683 103.493 -165.683 -113.214 203.614 103.493 203.615 -79.2563 GPRESSURE: 4003200 -394.388 -222.476 32.9661 -146.612 -48.6877 253.368 186.773 227.992 -30.5821 PRESSAVG: 4003200 17.5342 -53.8068 44.8795 -53.8067 97.2679 -23.6788 44.8794 -23.6788 -57.9134 GPRESSAVG: 4003200 17.2321 -54.4098 42.4119 -52.8437 97.1675 -23.0674 47.3125 -22.1704 -57.6432 TIMING: 4003200 CPU: 12007, 0.00306556/step Wall: 12007, 0.00306556/step, 0.848821 hours remaining, 206.761719 MB of memory in use. ENERGY: 4003200 738.1558 2108.0188 1978.0829 101.2461 -206100.3704 17606.1660 0.0000 0.0000 33943.7809 -149624.9198 296.4395 -183568.7007 -149530.5725 297.7682 -186.3287 -157.8860 558179.5749 18.9629 18.9188 PRESSURE: 4003400 -58.9231 -86.2211 -9.37321 -86.2213 131.21 -98.8441 -9.37229 -98.8434 122.423 GPRESSURE: 4003400 -62.9993 -82.8904 -44.5377 -44.1864 203.139 -24.7473 -88.635 -126.868 162.394 PRESSAVG: 4003400 -2.19225 -16.4292 -42.671 -16.4291 3.15639 32.811 -42.671 32.811 -15.7517 GPRESSAVG: 4003400 -0.792929 -15.5544 -40.0672 -17.9482 3.55084 33.132 -46.4078 34.0008 -16.7034 TIMING: 4003400 CPU: 12007.6, 0.0030435/step Wall: 12007.6, 0.0030435/step, 0.842542 hours remaining, 206.761719 MB of memory in use. ENERGY: 4003400 773.8083 2071.2524 1927.8300 114.0468 -206715.6397 18074.0358 0.0000 0.0000 34219.6189 -149535.0475 298.8484 -183754.6663 -149436.8469 298.2241 64.9031 100.8448 558642.5833 -4.9292 -4.6485 PRESSURE: 4003600 -193.53 29.4453 11.0336 29.4463 106.841 115.364 11.0333 115.365 -94.0225 GPRESSURE: 4003600 -136.439 28.2597 -47.09 -7.19595 120.435 184.894 49.363 90.3318 -75.258 PRESSAVG: 4003600 22.5052 -16.9417 6.34516 -16.9416 79.2431 -26.4695 6.34512 -26.4695 -66.1 GPRESSAVG: 4003600 21.4539 -16.6895 5.59113 -16.5455 78.9658 -27.9281 6.26105 -26.2138 -65.4725 TIMING: 4003600 CPU: 12008.2, 0.00307878/step Wall: 12008.2, 0.00307878/step, 0.852137 hours remaining, 206.761719 MB of memory in use. ENERGY: 4003600 768.7293 2044.5164 1946.6482 116.4667 -206421.3279 17898.3863 0.0000 0.0000 34226.0840 -149420.4969 298.9049 -183646.5809 -149319.9955 299.3467 -60.2372 -30.4207 558476.5993 11.8828 11.6491 PRESSURE: 4003800 -73.2624 126.955 -129.778 126.953 209.855 34.4183 -129.777 34.4181 -150.608 GPRESSURE: 4003800 31.3961 81.9951 -26.9904 113.738 232.522 41.6178 -214.043 138.684 -178.1 PRESSAVG: 4003800 28.2842 29.0117 45.0236 29.0116 26.7123 25.1473 45.0236 25.1472 -48.7352 GPRESSAVG: 4003800 29.4544 28.0622 45.8503 29.0311 26.2071 26.5575 46.9146 23.2487 -49.7444 TIMING: 4003800 CPU: 12008.9, 0.00310592/step Wall: 12008.9, 0.00310592/step, 0.859477 hours remaining, 206.761719 MB of memory in use. ENERGY: 4003800 725.3221 2043.7891 1944.7567 123.0309 -206379.8978 17832.5727 0.0000 0.0000 34216.4546 -149493.9718 298.8208 -183710.4264 -149396.4227 298.9170 -4.6719 28.6059 557747.5013 2.0871 1.9723 PRESSURE: 4004000 -186.231 34.1836 44.1054 34.1839 -73.6053 -154.609 44.1042 -154.609 -190.034 GPRESSURE: 4004000 -152.73 -20.2715 92.3091 32.0731 -32.6885 -133.696 16.8948 -104.705 -161.732 PRESSAVG: 4004000 0.127795 37.5748 -18.5278 37.5748 24.8484 24.1826 -18.528 24.1825 -38.1943 GPRESSAVG: 4004000 -1.18739 37.72 -19.0817 36.8134 26.1267 26.3828 -19.5116 23.1353 -38.5106 TIMING: 4004000 CPU: 12009.5, 0.00305782/step Wall: 12009.5, 0.00305782/step, 0.845997 hours remaining, 206.761719 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: 4004000 722.4470 2096.6355 1943.1814 99.1593 -206071.8590 17567.6987 0.0000 0.0000 34103.0247 -149539.7124 297.8302 -183642.7372 -149442.5150 298.0975 -149.9568 -115.7167 558941.4271 -4.4060 -4.5238 PRESSURE: 4004200 180.02 73.9402 36.7632 73.9406 -125.893 71.2301 36.7641 71.2297 257.855 GPRESSURE: 4004200 215.582 103.665 -95.7191 50.4722 -73.9102 91.4146 32.0123 85.7581 279.197 PRESSAVG: 4004200 31.2305 -17.0739 56.4186 -17.0739 -12.624 0.464154 56.4187 0.464085 47.7644 GPRESSAVG: 4004200 31.0084 -15.7911 54.7559 -17.4263 -12.8455 -0.779661 57.5196 1.93627 48.2243 TIMING: 4004200 CPU: 12010.1, 0.00305829/step Wall: 12010.1, 0.00305829/step, 0.845958 hours remaining, 206.761719 MB of memory in use. ENERGY: 4004200 724.1341 2094.2681 1940.1260 105.0204 -206379.3553 17972.1775 0.0000 0.0000 34044.8405 -149498.7887 297.3221 -183543.6293 -149399.3116 297.7292 103.9940 140.2898 559231.7291 22.1236 22.1291 LDB: ============= START OF LOAD BALANCING ============== 12013.5 LDB: ============== END OF LOAD BALANCING =============== 12013.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12013.5 LDB: ============= START OF LOAD BALANCING ============== 12013.8 LDB: Largest compute 4822 load 0.024957 is 21.1% of average load 0.118039 LDB: Average compute 0.001736 is 1.5% of average load 0.118039 LDB: TIME 12013.8 LOAD: AVG 0.118039 MAX 0.219609 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.961 MB LDB: TIME 12013.8 LOAD: AVG 0.118039 MAX 0.219609 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.023 MB LDB: TIME 12013.8 LOAD: AVG 0.118039 MAX 0.219609 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.023 MB LDB: ============== END OF LOAD BALANCING =============== 12013.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12013.8 PRESSURE: 4004400 -102.951 -77.0517 96.5896 -77.0521 19.0297 64.9637 96.5901 64.9635 -140.143 GPRESSURE: 4004400 -29.31 -106.892 104.783 -10.6347 33.1441 134.693 104.555 20.6816 -133.863 PRESSAVG: 4004400 49.8728 -2.07286 29.4544 -2.07274 -47.8108 -3.41432 29.4544 -3.41431 -33.9899 GPRESSAVG: 4004400 50.0489 -2.75981 30.546 -2.74089 -47.8208 -2.90698 29.3904 -2.23359 -34.3878 TIMING: 4004400 CPU: 12010.7, 0.0031249/step Wall: 12010.7, 0.0031249/step, 0.864209 hours remaining, 208.257812 MB of memory in use. ENERGY: 4004400 731.2540 2050.3126 1932.5595 123.3655 -206637.7721 17991.4761 0.0000 0.0000 34254.8696 -149553.9350 299.1563 -183808.8045 -149451.1737 297.6167 -74.6883 -43.3431 558465.6764 -10.6426 -10.7199 PRESSURE: 4004600 -300.99 16.2873 -52.3106 16.2888 -27.1516 -89.4719 -52.3105 -89.4732 19.4202 GPRESSURE: 4004600 -250.968 0.595952 -83.5537 31.1459 35.2184 -236.766 -16.9834 61.1816 1.35158 PRESSAVG: 4004600 11.8206 -7.3645 124.454 -7.36455 2.194 -5.75413 124.454 -5.75405 38.6874 GPRESSAVG: 4004600 12.1848 -8.1277 124.918 -6.15566 2.25969 -7.69303 123.102 -4.66303 37.9785 TIMING: 4004600 CPU: 12011.3, 0.0030443/step Wall: 12011.3, 0.0030443/step, 0.84175 hours remaining, 208.257812 MB of memory in use. ENERGY: 4004600 754.7398 2099.9023 1931.0608 118.0310 -206381.8760 17757.9587 0.0000 0.0000 34216.4686 -149503.7149 298.8209 -183720.1836 -149417.9217 298.0999 -102.9072 -71.4659 558349.4280 17.5674 17.4743 PRESSURE: 4004800 -41.0407 60.1194 171.585 60.1199 -44.1146 33.4988 171.586 33.5 -70.4154 GPRESSURE: 4004800 7.00802 74.4438 176.604 22.891 8.39985 67.2356 161.145 40.8385 -77.4601 PRESSAVG: 4004800 -36.0636 -43.0148 28.5005 -43.0149 1.30554 -51.5297 28.5004 -51.5297 28.0116 GPRESSAVG: 4004800 -36.9405 -42.3122 27.4041 -43.6336 0.964995 -51.5829 31.5382 -51.1252 29.3021 TIMING: 4004800 CPU: 12011.9, 0.00307055/step Wall: 12011.9, 0.00307055/step, 0.848837 hours remaining, 208.257812 MB of memory in use. ENERGY: 4004800 750.7879 2088.9580 1951.7176 118.3376 -206174.1366 17635.1794 0.0000 0.0000 34028.9677 -149600.1885 297.1834 -183629.1562 -149506.6662 298.1970 -51.8569 -20.6841 558376.8629 -2.2488 -2.2245 PRESSURE: 4005000 -81.5441 -123.018 5.95534 -123.018 11.6178 105.373 5.95489 105.374 -134.741 GPRESSURE: 4005000 -22.7594 -122.211 1.03017 -67.1544 55.8839 101.905 63.2769 56.2188 -130.669 PRESSAVG: 4005000 22.976 3.86417 13.7319 3.86425 -53.8796 16.971 13.7319 16.9709 28.0003 GPRESSAVG: 4005000 23.7846 4.22572 13.234 4.56328 -53.3289 17.5832 10.4768 15.7013 26.7377 TIMING: 4005000 CPU: 12012.5, 0.00303765/step Wall: 12012.5, 0.00303765/step, 0.839573 hours remaining, 208.257812 MB of memory in use. ENERGY: 4005000 784.7202 2083.4920 1956.3248 112.5037 -206760.2753 18040.6844 0.0000 0.0000 34117.2158 -149665.3344 297.9541 -183782.5502 -149570.1150 298.0145 -68.2225 -32.5150 557526.9460 -0.9678 -0.9355 PRESSURE: 4005200 49.401 87.15 13.8472 87.1497 216.979 -61.5962 13.8478 -61.5968 103.47 GPRESSURE: 4005200 87.0001 9.01495 -10.4246 77.3149 251.868 -54.6908 54.401 -78.1806 128.524 PRESSAVG: 4005200 -53.6055 6.14168 -6.95715 6.14171 83.8847 1.43662 -6.95714 1.43663 -23.8996 GPRESSAVG: 4005200 -54.2225 5.02755 -5.46128 4.47783 83.3179 -0.662636 -5.90922 3.17279 -22.9874 TIMING: 4005200 CPU: 12013.2, 0.00303173/step Wall: 12013.2, 0.00303173/step, 0.837767 hours remaining, 208.257812 MB of memory in use. ENERGY: 4005200 734.7862 2124.8575 1948.3486 109.3540 -206678.5586 18193.3770 0.0000 0.0000 34126.7622 -149441.0732 298.0375 -183567.8354 -149348.1885 298.1477 123.2835 155.7974 556572.2527 2.1265 2.0360 PRESSURE: 4005400 -53.2017 -20.5326 69.0281 -20.5323 -221.759 -124.733 69.0283 -124.733 40.0558 GPRESSURE: 4005400 -29.9125 -66.9011 6.0036 5.77184 -179.977 -219.052 93.1002 -19.5519 77.5309 PRESSAVG: 4005400 -38.7492 35.4535 -34.6338 35.4535 51.3775 -13.8743 -34.6338 -13.8744 10.9048 GPRESSAVG: 4005400 -37.6037 38.2455 -35.6843 34.496 50.6134 -13.3967 -34.2624 -15.1603 10.5846 TIMING: 4005400 CPU: 12013.8, 0.00306131/step Wall: 12013.8, 0.00306131/step, 0.845772 hours remaining, 208.257812 MB of memory in use. ENERGY: 4005400 739.8757 2179.3233 1942.5255 134.8522 -206070.9218 17595.3081 0.0000 0.0000 34200.2048 -149278.8322 298.6789 -183479.0369 -149186.1513 299.3062 -78.3016 -44.1196 557304.6029 7.8444 7.8648 PRESSURE: 4005600 -136.139 210.605 -66.3593 210.606 -55.1353 180.164 -66.3579 180.164 -64.7796 GPRESSURE: 4005600 -123.122 179.929 -177.35 218.364 6.62469 169.807 98.7177 222.42 -35.2416 PRESSAVG: 4005600 -12.1019 0.485436 -29.4383 0.485459 -11.1088 -37.4782 -29.4384 -37.4781 27.8409 GPRESSAVG: 4005600 -11.4507 -1.95757 -31.0862 1.43379 -11.3922 -34.8402 -27.0471 -37.8656 28.01 TIMING: 4005600 CPU: 12014.4, 0.00303871/step Wall: 12014.4, 0.00303871/step, 0.83936 hours remaining, 208.257812 MB of memory in use. ENERGY: 4005600 734.2390 2115.7823 1951.9783 115.5685 -205905.4273 17564.4934 0.0000 0.0000 34171.0023 -149252.3634 298.4239 -183423.3657 -149153.6165 299.0586 -85.3513 -50.5798 557153.1266 1.5434 1.7224 PRESSURE: 4005800 27.2228 -43.3797 -95.7312 -43.3805 -4.43438 13.5645 -95.7315 13.5646 -24.9763 GPRESSURE: 4005800 100.194 -41.516 -86.7966 -11.6547 27.0874 82.1525 1.10841 -6.40093 -18.546 PRESSAVG: 4005800 10.2045 -23.9843 18.4058 -23.9843 45.927 65.8494 18.4058 65.8494 -44.0124 GPRESSAVG: 4005800 11.1359 -23.2161 22.3498 -23.6299 45.9981 65.8391 15.9207 66.3912 -44.0917 TIMING: 4005800 CPU: 12015, 0.00301491/step Wall: 12015, 0.00301491/step, 0.832617 hours remaining, 208.257812 MB of memory in use. ENERGY: 4005800 753.3183 2095.9467 1931.4848 118.9261 -206539.4090 17985.9870 0.0000 0.0000 34431.7119 -149222.0342 300.7007 -183653.7461 -149128.3438 299.6150 -0.7293 36.2451 557576.0750 4.0397 4.3474 PRESSURE: 4006000 -119.698 -24.0954 242.909 -24.0962 -8.42249 2.9955 242.908 2.99483 -108.151 GPRESSURE: 4006000 -93.7917 -49.9119 110.714 30.7296 76.1546 -8.0971 244.143 -3.01913 -128.003 PRESSAVG: 4006000 14.3563 -12.5244 24.4741 -12.5244 19.9849 2.75938 24.4742 2.75945 -40.5417 GPRESSAVG: 4006000 14.5609 -10.8281 23.5006 -11.9154 21.9633 1.02907 23.9124 4.47269 -41.7536 TIMING: 4006000 CPU: 12015.6, 0.0030538/step Wall: 12015.6, 0.0030538/step, 0.843188 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: 4006000 717.3560 2037.6371 1935.6632 121.0819 -205766.6788 17625.0550 0.0000 0.0000 34346.9269 -148982.9588 299.9603 -183329.8857 -148886.7573 300.0995 -78.7572 -48.5467 557532.3186 -2.0668 -1.7431 PRESSURE: 4006200 -206.799 129.771 -34.9307 129.771 -80.7606 72.7267 -34.9301 72.7237 -451.064 GPRESSURE: 4006200 -151.007 143.645 -92.2547 106.907 -111.736 79.213 -6.56148 62.5086 -379.11 PRESSAVG: 4006200 -62.081 6.86698 12.1719 6.86702 -41.9615 28.4536 12.1718 28.4536 48.1265 GPRESSAVG: 4006200 -63.168 6.64774 11.0662 5.99893 -41.8803 30.8188 12.3739 25.6858 49.2104 TIMING: 4006200 CPU: 12016.2, 0.00305034/step Wall: 12016.2, 0.00305034/step, 0.842064 hours remaining, 208.257812 MB of memory in use. ENERGY: 4006200 763.3926 1990.6586 1939.7153 111.2604 -205883.1962 17505.6216 0.0000 0.0000 34472.8489 -149099.6988 301.0600 -183572.5477 -148997.6577 299.9708 -246.2078 -213.9511 558936.9913 -18.6387 -18.6126 PRESSURE: 4006400 18.2573 27.6396 18.32 27.6389 127.842 -13.2982 18.3196 -13.2977 139.267 GPRESSURE: 4006400 47.0196 132.089 20.1599 46.5765 185.283 -64.0741 10.3129 -21.219 159.394 PRESSAVG: 4006400 59.3523 28.7046 -11.6242 28.7047 7.65377 6.55791 -11.6242 6.55784 -25.1854 GPRESSAVG: 4006400 58.815 27.1164 -10.7765 30.2501 7.19592 5.06646 -9.71016 5.99873 -24.8322 TIMING: 4006400 CPU: 12016.8, 0.00306079/step Wall: 12016.8, 0.00306079/step, 0.844777 hours remaining, 208.257812 MB of memory in use. ENERGY: 4006400 749.2626 2068.5268 1940.5206 133.3615 -206417.4340 17931.3496 0.0000 0.0000 34395.9136 -149198.4993 300.3881 -183594.4128 -149099.8333 299.7993 95.1221 130.5655 557430.8062 13.9402 13.7262 PRESSURE: 4006600 -146.133 -53.1083 -80.6408 -53.1094 -291.908 85.4138 -80.6424 85.4131 -33.4992 GPRESSURE: 4006600 -75.7295 42.591 -74.792 -142.793 -236.275 -54.8943 -88.8235 177.752 -63.188 PRESSAVG: 4006600 -99.5779 12.722 -14.6535 12.7219 83.7894 -13.4483 -14.6535 -13.4483 -1.61612 GPRESSAVG: 4006600 -99.8906 14.8764 -15.1206 11.9166 83.291 -12.3226 -16.2904 -13.621 -0.558313 TIMING: 4006600 CPU: 12017.4, 0.00305834/step Wall: 12017.4, 0.00305834/step, 0.843931 hours remaining, 208.257812 MB of memory in use. ENERGY: 4006600 754.6880 2142.5331 1944.1598 109.6974 -205787.2454 17492.4441 0.0000 0.0000 34043.9706 -149299.7524 297.3145 -183343.7230 -149204.4006 298.3160 -157.1800 -125.0641 558644.1830 -5.8016 -5.7193 PRESSURE: 4006800 212.407 -0.033153 86.8039 -0.0329761 -134.707 -53.8739 86.8044 -53.8729 105.189 GPRESSURE: 4006800 221.989 45.5279 133.141 -46.8849 -36.3346 41.1129 55.2791 -104.205 94.1368 PRESSAVG: 4006800 47.0514 -46.376 -31.1295 -46.376 -45.9666 6.08905 -31.1294 6.08909 1.36379 GPRESSAVG: 4006800 47.1755 -48.0877 -30.8795 -44.7137 -45.7307 6.26938 -31.1662 5.50673 0.448355 TIMING: 4006800 CPU: 12018, 0.00302029/step Wall: 12018, 0.00302029/step, 0.833265 hours remaining, 208.257812 MB of memory in use. ENERGY: 4006800 724.6072 2072.9123 1939.6032 109.5643 -206085.2329 17724.8613 0.0000 0.0000 34115.5361 -149398.1485 297.9395 -183513.6847 -149300.3598 298.0897 60.9628 93.2637 556408.5546 0.8162 0.6310 PRESSURE: 4007000 -78.0064 23.4223 -66.681 23.421 -102.582 -4.39169 -66.6805 -4.3906 -15.4662 GPRESSURE: 4007000 -73.0147 92.5383 -11.6695 -25.2268 -46.7053 -45.007 -77.352 -2.26222 21.828 PRESSAVG: 4007000 -14.7542 3.61718 13.1253 3.61718 12.4019 -11.2465 13.1252 -11.2464 5.32168 GPRESSAVG: 4007000 -14.4035 3.70387 14.4533 2.37556 11.8534 -11.2419 14.6296 -10.2676 6.18418 TIMING: 4007000 CPU: 12018.6, 0.00303838/step Wall: 12018.6, 0.00303838/step, 0.838085 hours remaining, 208.257812 MB of memory in use. ENERGY: 4007000 724.9248 2058.6972 1971.0651 117.4777 -206254.9573 17854.1786 0.0000 0.0000 34249.9085 -149278.7055 299.1130 -183528.6140 -149187.4196 298.5207 -65.3516 -32.6306 559347.0077 0.9898 1.2114 PRESSURE: 4007200 -111.82 -38.493 30.4539 -38.4916 -291.508 144.6 30.455 144.6 -4.89105 GPRESSURE: 4007200 -74.6028 -121.605 19.8863 -27.4927 -222.995 130.827 -11.3651 139.075 -19.0898 PRESSAVG: 4007200 35.9613 -6.29274 -35.9948 -6.29268 -22.4035 35.3423 -35.9948 35.3423 13.6197 GPRESSAVG: 4007200 35.5976 -6.05307 -37.4236 -6.34006 -21.0399 34.911 -38.7213 32.9118 12.73 TIMING: 4007200 CPU: 12019.2, 0.00305408/step Wall: 12019.2, 0.00305408/step, 0.842247 hours remaining, 208.257812 MB of memory in use. ENERGY: 4007200 760.9116 2136.1508 1941.1221 105.3182 -206040.0512 17708.0313 0.0000 0.0000 34190.9836 -149197.5337 298.5984 -183388.5173 -149097.0202 298.4909 -136.0733 -105.5624 559171.6760 9.0592 9.0959 PRESSURE: 4007400 -76.8848 -26.7317 118.262 -26.7313 122.169 -23.592 118.261 -23.5932 258.213 GPRESSURE: 4007400 -18.9744 -37.4181 14.8394 24.1203 109.903 -196.395 251.867 43.3189 307.263 PRESSAVG: 4007400 66.5863 -37.8696 -19.6212 -37.8696 -54.7673 87.0328 -19.6211 87.0327 -2.26029 GPRESSAVG: 4007400 65.9436 -40.1287 -20.0338 -36.0358 -54.596 86.7116 -18.3842 89.7972 -1.84765 TIMING: 4007400 CPU: 12019.9, 0.00304249/step Wall: 12019.9, 0.00304249/step, 0.838882 hours remaining, 208.257812 MB of memory in use. ENERGY: 4007400 732.9188 2084.0686 1945.3923 117.4838 -206512.9341 18014.4514 0.0000 0.0000 34553.1946 -149065.4247 301.7616 -183618.6192 -148969.8016 299.9007 101.1656 132.7306 558211.2296 3.1862 3.1666 PRESSURE: 4007600 -166.139 -29.9127 -5.90607 -29.9132 -185.257 78.6349 -5.90565 78.6368 -208.276 GPRESSURE: 4007600 -100.676 -46.3746 4.95208 -71.8447 -173.916 122.326 103.611 -20.8867 -188.747 PRESSAVG: 4007600 -12.4246 8.30084 48.1473 8.30082 -20.5994 -47.0432 48.1473 -47.0432 54.516 GPRESSAVG: 4007600 -12.7075 10.5957 49.2993 5.45596 -20.9347 -47.147 48.6772 -47.5802 54.8305 TIMING: 4007600 CPU: 12020.5, 0.00304709/step Wall: 12020.5, 0.00304709/step, 0.839981 hours remaining, 208.257812 MB of memory in use. ENERGY: 4007600 764.1544 2136.7531 1929.7738 123.5814 -206088.3716 17720.4478 0.0000 0.0000 34321.9550 -149091.7060 299.7422 -183413.6610 -149001.4093 300.3826 -186.5571 -154.4460 557553.7053 7.1640 7.0628 PRESSURE: 4007800 10.0489 -99.4923 202.702 -99.4924 103.437 48.8308 202.703 48.8301 40.6675 GPRESSURE: 4007800 44.3191 -80.5369 235.352 47.7907 123.365 33.3296 175.92 91.7889 93.6127 PRESSAVG: 4007800 -19.7837 7.12518 38.9782 7.12511 -7.74396 -14.9417 38.9782 -14.9416 30.1206 GPRESSAVG: 4007800 -19.7527 7.69801 41.0398 7.22689 -8.26479 -15.9296 37.7305 -15.5612 30.4722 TIMING: 4007800 CPU: 12021.1, 0.0030556/step Wall: 12021.1, 0.0030556/step, 0.842157 hours remaining, 208.257812 MB of memory in use. ENERGY: 4007800 748.2327 2097.4625 1932.7782 114.6190 -206556.1539 18075.8119 0.0000 0.0000 34464.3782 -149122.8713 300.9860 -183587.2495 -149029.5536 299.7608 51.3844 87.0988 556588.9012 0.8643 0.8182 PRESSURE: 4008000 -367.447 -49.2166 126.454 -49.2169 -320.234 159.776 126.454 159.776 -126.057 GPRESSURE: 4008000 -372.344 -25.034 92.6467 -72.4478 -234.682 178.797 99.7509 197.345 -109.705 PRESSAVG: 4008000 38.7506 64.1916 56.8884 64.1917 -45.1026 1.44844 56.8884 1.44853 44.5424 GPRESSAVG: 4008000 39.5725 63.7869 55.2086 64.9006 -46.3037 2.96117 57.6299 2.17431 45.0925 TIMING: 4008000 CPU: 12021.7, 0.00302622/step Wall: 12021.7, 0.00302622/step, 0.833891 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: 4008000 748.0335 2078.5950 1930.3086 129.8038 -205717.0268 17408.3483 0.0000 0.0000 34225.8400 -149196.0975 298.9028 -183421.9375 -149104.2468 299.5392 -271.2459 -238.9104 558363.9980 12.7301 12.7871 PRESSURE: 4008200 -97.1889 22.938 122.608 22.9364 -153.379 -36.009 122.609 -36.0096 81.6665 GPRESSURE: 4008200 -82.3644 -41.3426 66.6843 -15.2619 -76.9779 29.1899 128.46 14.5026 97.8175 PRESSAVG: 4008200 -35.8508 -7.27507 18.4208 -7.27512 -63.9168 -18.5161 18.4208 -18.516 93.3002 GPRESSAVG: 4008200 -37.0816 -8.28068 19.3194 -5.56937 -62.0757 -20.0158 18.6486 -17.205 92.6124 TIMING: 4008200 CPU: 12022.3, 0.00306495/step Wall: 12022.3, 0.00306495/step, 0.844395 hours remaining, 208.257812 MB of memory in use. ENERGY: 4008200 737.8367 2034.6809 1938.8838 122.1585 -206080.8427 17859.6046 0.0000 0.0000 34394.2681 -148993.4100 300.3737 -183387.6781 -148899.2137 299.6738 -56.3003 -20.5083 559141.6578 -2.1558 -2.1817 LDB: ============= START OF LOAD BALANCING ============== 12025.7 LDB: ============== END OF LOAD BALANCING =============== 12025.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12025.7 LDB: ============= START OF LOAD BALANCING ============== 12026 LDB: Largest compute 4822 load 0.023546 is 20.0% of average load 0.118005 LDB: Average compute 0.001738 is 1.5% of average load 0.118005 LDB: TIME 12026 LOAD: AVG 0.118005 MAX 0.217039 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.215 MB LDB: TIME 12026 LOAD: AVG 0.118005 MAX 0.217039 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.215 MB LDB: TIME 12026 LOAD: AVG 0.118005 MAX 0.217039 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.215 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12026 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12026 PRESSURE: 4008400 4.85095 -77.2412 72.6488 -77.2408 50.851 81.9883 72.6496 81.9871 9.37672 GPRESSURE: 4008400 24.4029 -94.1408 45.887 -26.1876 116.04 38.6379 135.663 96.9207 17.3812 PRESSAVG: 4008400 8.01643 36.2059 27.5454 36.206 -22.0003 67.4396 27.5455 67.4396 10.7233 GPRESSAVG: 4008400 8.53129 36.3355 25.955 35.7862 -22.075 67.3659 29.5531 64.6491 10.5349 TIMING: 4008400 CPU: 12022.9, 0.00311098/step Wall: 12022.9, 0.00311098/step, 0.856902 hours remaining, 206.214844 MB of memory in use. ENERGY: 4008400 737.9697 2101.5259 1927.5414 99.8766 -206098.5844 17905.9808 0.0000 0.0000 34144.8829 -149180.8071 298.1958 -183325.6900 -149083.1685 299.7129 21.6929 52.6080 558428.7795 -1.0869 -1.0030 PRESSURE: 4008600 -114.626 -69.6785 157.122 -69.6776 -149.6 -83.8948 157.121 -83.8958 49.3903 GPRESSURE: 4008600 -98.856 -36.8266 104.296 -80.5265 -119.601 -67.589 98.4916 -126.656 102.552 PRESSAVG: 4008600 -4.14488 -24.8677 10.4322 -24.8678 24.8502 12.4852 10.4321 12.4851 -26.4494 GPRESSAVG: 4008600 -3.27748 -22.5542 11.0769 -26.4954 24.4688 13.6029 8.74506 13.6013 -26.6992 TIMING: 4008600 CPU: 12023.5, 0.00305239/step Wall: 12023.5, 0.00305239/step, 0.840594 hours remaining, 206.417969 MB of memory in use. ENERGY: 4008600 790.6813 2065.4885 1957.5201 115.8180 -206168.9463 17696.5026 0.0000 0.0000 34474.3571 -149068.5786 301.0731 -183542.9357 -148969.2118 299.5498 -71.6121 -38.6351 557967.6208 -1.9147 -1.8360 PRESSURE: 4008800 -196.764 -155.167 30.4806 -155.167 -30.4981 86.4936 30.4816 86.494 -18.4263 GPRESSURE: 4008800 -171.296 -97.7076 45.5907 -238.742 48.2822 163.844 48.3706 14.9519 -15.5349 PRESSAVG: 4008800 -38.778 -34.849 10.3609 -34.849 46.5643 2.07172 10.361 2.07178 -20.0391 GPRESSAVG: 4008800 -38.305 -36.3367 9.37973 -33.088 45.7776 0.551705 11.3116 2.98875 -20.0866 TIMING: 4008800 CPU: 12024.1, 0.003043/step Wall: 12024.1, 0.003043/step, 0.837838 hours remaining, 206.417969 MB of memory in use. ENERGY: 4008800 744.5204 2063.3920 1949.0835 108.4937 -205790.9094 17529.5628 0.0000 0.0000 34168.1988 -149227.6581 298.3994 -183395.8570 -149127.2771 299.2389 -81.8962 -46.1828 556395.0288 -4.0843 -4.2047 PRESSURE: 4009000 -477.525 125.475 63.115 125.476 -289.472 -40.1731 63.1146 -40.1739 -433.3 GPRESSURE: 4009000 -491.317 175.405 109.297 89.7646 -223.557 -10.6008 64.3498 -57.8027 -387.211 PRESSAVG: 4009000 -22.9011 12.3786 -0.55183 12.3787 52.7474 30.5267 -0.551814 30.5267 -53.6636 GPRESSAVG: 4009000 -24.5129 12.5445 -0.322543 9.35511 53.2781 31.7795 -2.12644 28.777 -53.073 TIMING: 4009000 CPU: 12024.7, 0.00305951/step Wall: 12024.7, 0.00305951/step, 0.842214 hours remaining, 206.417969 MB of memory in use. ENERGY: 4009000 750.1905 2101.3925 1934.9306 119.5188 -205440.6478 17092.2241 0.0000 0.0000 34174.1111 -149268.2801 298.4510 -183442.3912 -149175.1880 298.3184 -400.0990 -367.3619 559058.4196 -7.9391 -8.1026 PRESSURE: 4009200 -94.5187 -68.0261 41.2129 -68.0247 233.423 20.1086 41.2141 20.1081 36.9307 GPRESSURE: 4009200 -39.75 -19.0276 13.0898 -126.902 249.111 65.0168 95.0525 21.7064 62.8526 PRESSAVG: 4009200 -5.24656 -2.17689 -27.8134 -2.17694 10.7419 -49.3703 -27.8134 -49.3702 7.54188 GPRESSAVG: 4009200 -4.10907 -3.25257 -26.1402 -0.126485 10.2518 -50.9695 -28.0535 -47.7074 6.3913 TIMING: 4009200 CPU: 12025.4, 0.00307447/step Wall: 12025.4, 0.00307447/step, 0.846163 hours remaining, 206.417969 MB of memory in use. ENERGY: 4009200 736.5601 2055.0900 1947.2395 127.0767 -206024.6588 17676.8651 0.0000 0.0000 34126.2199 -149355.6074 298.0328 -183481.8273 -149264.1392 299.3867 58.6116 90.7379 557855.2716 4.3457 4.1780 PRESSURE: 4009400 -148.212 -82.5591 -2.78137 -82.5599 92.145 -119.168 -2.78242 -119.169 126.765 GPRESSURE: 4009400 -89.657 -28.4468 -16.9434 -76.8682 109.513 -133.186 -75.467 -133.902 140.583 PRESSAVG: 4009400 -48.1335 -1.10942 -45.7705 -1.10952 51.4213 -4.33851 -45.7705 -4.33855 15.4293 GPRESSAVG: 4009400 -50.0859 -0.790216 -47.9104 0.751306 51.9063 -3.55969 -43.9437 -4.18243 15.734 TIMING: 4009400 CPU: 12026, 0.00306379/step Wall: 12026, 0.00306379/step, 0.843053 hours remaining, 206.417969 MB of memory in use. ENERGY: 4009400 731.3084 2097.3841 1945.9094 109.1890 -206430.3307 17877.8161 0.0000 0.0000 34360.0845 -149308.6391 300.0752 -183668.7237 -149215.8002 298.9130 23.5660 53.4798 557615.4547 6.2390 5.8515 PRESSURE: 4009600 -249.411 28.6809 8.81422 28.6814 -349.009 79.9373 8.8145 79.9374 -190.462 GPRESSURE: 4009600 -260.927 -10.2943 -50.2938 21.8946 -274.355 180.39 42.0483 22.4021 -150.947 PRESSAVG: 4009600 -75.5492 57.5502 38.2022 57.5502 9.79853 -14.8228 38.2023 -14.8228 74.1548 GPRESSAVG: 4009600 -75.6801 56.9586 39.3886 57.073 9.97538 -16.8311 38.3427 -14.9885 74.3255 TIMING: 4009600 CPU: 12026.6, 0.00308529/step Wall: 12026.6, 0.00308529/step, 0.848797 hours remaining, 206.417969 MB of memory in use. ENERGY: 4009600 801.0877 2060.3349 1952.1746 100.2450 -205736.1786 17427.6797 0.0000 0.0000 34192.5671 -149202.0895 298.6122 -183394.6566 -149108.6955 299.6472 -262.9605 -228.7429 559137.6049 2.8014 2.8736 PRESSURE: 4009800 23.9928 -79.1759 60.105 -79.1772 21.4263 51.9981 60.1064 51.9981 80.4201 GPRESSURE: 4009800 61.6735 -74.0845 119.299 -61.2116 2.05882 44.801 23.8023 44.4428 159.572 PRESSAVG: 4009800 -11.1795 11.2013 -20.0671 11.2013 27.3386 4.89117 -20.0671 4.89127 36.7537 GPRESSAVG: 4009800 -10.1421 13.0494 -22.0319 10.1928 26.0244 7.14428 -20.441 4.59642 37.0639 TIMING: 4009800 CPU: 12027.2, 0.00308789/step Wall: 12027.2, 0.00308789/step, 0.849342 hours remaining, 206.417969 MB of memory in use. ENERGY: 4009800 703.5971 2107.6627 1946.3085 120.3491 -206105.1218 17700.4031 0.0000 0.0000 34309.4994 -149217.3020 299.6334 -183526.8014 -149111.8194 299.2444 41.9464 74.4346 557502.4159 17.6376 17.6487 PRESSURE: 4010000 -293.412 -27.5318 -104.021 -27.5311 -188.129 -93.3683 -104.021 -93.3673 -107.583 GPRESSURE: 4010000 -217.821 -38.5894 -52.0884 -47.1834 -126.745 -120.361 -85.6803 -6.87619 -132.222 PRESSAVG: 4010000 -12.4389 14.3837 4.27517 14.3835 -7.05787 -49.3912 4.2752 -49.3912 -4.17702 GPRESSAVG: 4010000 -11.7689 10.9022 5.91519 16.3214 -7.13322 -49.8885 5.41371 -48.7225 -4.53693 TIMING: 4010000 CPU: 12027.8, 0.00306442/step Wall: 12027.8, 0.00306442/step, 0.842716 hours remaining, 206.417969 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: 4010000 717.7002 2094.9121 1946.4144 120.6356 -205885.4327 17435.3396 0.0000 0.0000 34317.9879 -149252.4429 299.7075 -183570.4308 -149158.6629 299.0272 -196.3746 -158.9293 557459.8309 -7.8913 -7.8130 PRESSURE: 4010200 -247.597 78.5699 14.101 78.5703 -24.9595 1.50263 14.1013 1.50271 -137.521 GPRESSURE: 4010200 -237.758 39.4897 112.643 59.6736 38.2018 -83.6654 -12.9398 43.8109 -126.56 PRESSAVG: 4010200 5.90799 45.1079 -66.8532 45.1079 5.56729 15.1204 -66.8532 15.1204 -25.2492 GPRESSAVG: 4010200 4.35957 47.5199 -65.0917 43.8854 7.06049 18.1398 -68.8579 13.613 -25.5518 TIMING: 4010200 CPU: 12028.4, 0.0030455/step Wall: 12028.4, 0.0030455/step, 0.837344 hours remaining, 206.417969 MB of memory in use. ENERGY: 4010200 768.1346 2102.6524 1958.4659 109.6361 -205975.6427 17631.1213 0.0000 0.0000 34259.4716 -149146.1607 299.1965 -183405.6324 -149053.5373 299.4621 -136.6923 -108.7056 558779.5019 -4.5913 -4.7106 PRESSURE: 4010400 -115.824 -37.4563 -109.535 -37.4565 -185.587 -169.211 -109.534 -169.211 90.0415 GPRESSURE: 4010400 -90.8724 -72.5527 -132.7 67.9982 -98.8213 -196.807 -31.0989 -100.744 74.6768 PRESSAVG: 4010400 -30.0431 13.9686 -53.5813 13.9686 60.3596 -21.8166 -53.5812 -21.8166 -20.2555 GPRESSAVG: 4010400 -28.8479 15.3732 -54.5499 12.9048 60.0092 -23.8886 -51.5499 -20.661 -21.2113 TIMING: 4010400 CPU: 12029, 0.00302068/step Wall: 12029, 0.00302068/step, 0.830351 hours remaining, 206.417969 MB of memory in use. ENERGY: 4010400 767.8519 2136.1484 1937.0795 123.0740 -206104.4545 17667.0928 0.0000 0.0000 34346.4972 -149126.7105 299.9565 -183473.2078 -149040.8508 299.4807 -70.4565 -38.3390 558843.0334 3.3537 3.3167 PRESSURE: 4010600 -192.393 171.15 -10.0805 171.15 -69.6504 -149.487 -10.0794 -149.487 -112.543 GPRESSURE: 4010600 -182.241 183.506 49.6916 238.398 -22.225 -73.0056 54.795 -113.402 -82.7571 PRESSAVG: 4010600 -43.7103 33.9342 -2.30056 33.9343 -47.8724 -4.7117 -2.30052 -4.71173 62.2449 GPRESSAVG: 4010600 -45.4975 33.6514 -3.69379 33.9592 -48.1153 -4.47172 -3.2059 -4.87542 64.0949 TIMING: 4010600 CPU: 12029.6, 0.00303407/step Wall: 12029.6, 0.00303407/step, 0.833862 hours remaining, 206.417969 MB of memory in use. ENERGY: 4010600 747.3114 2093.2066 1937.1606 113.0659 -205998.8795 17602.8784 0.0000 0.0000 34384.4649 -149120.7917 300.2881 -183505.2566 -149014.3107 299.4710 -124.8622 -95.7410 556682.1060 -9.7793 -9.8393 PRESSURE: 4010800 84.1445 24.2436 -4.35863 24.2428 -176.867 -120.356 -4.36008 -120.355 -216.674 GPRESSURE: 4010800 106.452 -1.42941 -53.7653 17.2222 -161.355 -88.0499 -33.6522 -49.02 -159.986 PRESSAVG: 4010800 70.4284 27.2649 38.9692 27.2649 9.40782 -18.275 38.9692 -18.2749 -24.1688 GPRESSAVG: 4010800 71.9014 28.96 39.583 28.3977 8.78324 -17.4202 38.1134 -20.1293 -25.2167 TIMING: 4010800 CPU: 12030.2, 0.00304511/step Wall: 12030.2, 0.00304511/step, 0.836729 hours remaining, 206.417969 MB of memory in use. ENERGY: 4010800 745.8229 2070.4989 1934.5254 121.9383 -206293.1315 17855.1069 0.0000 0.0000 34421.4727 -149143.7663 300.6113 -183565.2390 -149044.4917 299.5974 -103.1321 -71.6297 558606.4302 18.5558 18.4893 PRESSURE: 4011000 7.59243 194.661 -67.9241 194.661 44.1071 36.9739 -67.9245 36.974 -8.32712 GPRESSURE: 4011000 48.2168 227.118 -48.1018 112.09 61.2558 34.8867 -74.9467 14.7905 25.6406 PRESSAVG: 4011000 -29.1971 58.8148 -37.4003 58.8147 15.1646 -21.6515 -37.4002 -21.6513 44.6357 GPRESSAVG: 4011000 -29.4468 56.6109 -38.1308 57.7507 15.4545 -21.6353 -37.5769 -20.2657 44.8197 TIMING: 4011000 CPU: 12030.9, 0.00308299/step Wall: 12030.9, 0.00308299/step, 0.846965 hours remaining, 206.417969 MB of memory in use. ENERGY: 4011000 718.1273 2137.6771 1948.4710 128.7845 -206170.4819 17810.6933 0.0000 0.0000 34475.8014 -148950.9273 301.0857 -183426.7287 -148858.9110 299.8183 14.4575 45.0377 557917.9834 10.2011 10.2758 PRESSURE: 4011200 6.9689 -116.686 -63.6087 -116.687 -161.456 -101.26 -63.6081 -101.26 -12.3104 GPRESSURE: 4011200 91.895 -130.943 -70.1953 -119.041 -162.773 -92.1304 -39.7557 -94.4963 12.1007 PRESSAVG: 4011200 15.4432 -49.032 27.2085 -49.032 6.32589 11.8079 27.2086 11.808 -35.3599 GPRESSAVG: 4011200 14.9519 -50.2977 28.417 -47.9529 7.02962 10.8005 27.5633 12.5436 -35.3415 TIMING: 4011200 CPU: 12031.5, 0.00304918/step Wall: 12031.5, 0.00304918/step, 0.837508 hours remaining, 206.417969 MB of memory in use. ENERGY: 4011200 757.1548 2083.0244 1968.8412 107.5574 -206100.1798 17701.4833 0.0000 0.0000 34525.0666 -148957.0520 301.5160 -183482.1187 -148860.1636 300.5935 -55.5990 -19.5924 557017.8500 -4.5303 -4.4533 PRESSURE: 4011400 -26.6671 -108.855 -115.464 -108.856 9.35468 -210.593 -115.465 -210.593 206.103 GPRESSURE: 4011400 46.8341 -50.0279 -116.955 -112.67 74.3234 -139.889 -163.574 -215.357 154.323 PRESSAVG: 4011400 57.4565 -49.3956 11.6903 -49.3955 -41.8716 -1.05492 11.6903 -1.05495 42.1241 GPRESSAVG: 4011400 58.2039 -47.3187 12.2323 -49.9162 -42.7385 -1.11636 10.5863 -1.37733 42.128 TIMING: 4011400 CPU: 12032.1, 0.00305019/step Wall: 12032.1, 0.00305019/step, 0.837617 hours remaining, 206.417969 MB of memory in use. ENERGY: 4011400 712.1531 2136.9043 1968.4892 118.6629 -206100.9407 17744.4504 0.0000 0.0000 34289.3075 -149130.9734 299.4571 -183420.2809 -149022.1416 299.7775 62.9301 91.8269 556615.7300 19.2363 19.1978 PRESSURE: 4011600 47.1322 7.27984 13.8495 7.27975 81.2746 116.844 13.8492 116.843 -57.2954 GPRESSURE: 4011600 67.2676 76.3586 -30.3716 -113.58 116.025 150.868 67.6675 96.8278 -21.5646 PRESSAVG: 4011600 -54.5511 -30.9099 -2.73842 -30.9098 -8.42367 35.9088 -2.7384 35.9088 41.3995 GPRESSAVG: 4011600 -55.2391 -30.8587 -4.71483 -31.6097 -7.68126 35.9849 -0.955086 36.6332 41.3606 TIMING: 4011600 CPU: 12032.7, 0.00305409/step Wall: 12032.7, 0.00305409/step, 0.838517 hours remaining, 206.417969 MB of memory in use. ENERGY: 4011600 731.7345 2059.2887 1961.4273 115.0417 -205968.3714 17686.0908 0.0000 0.0000 34177.5377 -149237.2507 298.4809 -183414.7884 -149140.2197 299.1799 23.7038 53.9092 555781.3480 -7.1917 -7.1866 PRESSURE: 4011800 -319.771 -25.8454 -83.4703 -25.8451 -321.456 54.3635 -83.4705 54.3648 -377.456 GPRESSURE: 4011800 -262.679 0.700148 -68.1493 -3.49031 -295.548 -52.9212 6.60971 34.7639 -364.568 PRESSAVG: 4011800 -23.8555 2.44883 12.3845 2.44888 -14.0613 -9.94534 12.3846 -9.94546 -5.2528 GPRESSAVG: 4011800 -22.8154 -0.606099 14.8972 4.22558 -15.3206 -10.2736 14.1242 -10.7834 -5.40518 TIMING: 4011800 CPU: 12033.3, 0.00304295/step Wall: 12033.3, 0.00304295/step, 0.83529 hours remaining, 206.417969 MB of memory in use. ENERGY: 4011800 750.3037 2111.6317 1959.0219 114.6589 -205505.8812 17232.0499 0.0000 0.0000 34163.7739 -149174.4413 298.3607 -183338.2152 -149079.5873 299.5032 -339.5611 -307.5984 558380.2405 -14.3898 -14.5137 PRESSURE: 4012000 15.8401 -89.0881 115.442 -89.0872 87.6759 50.9794 115.442 50.9814 135.432 GPRESSURE: 4012000 14.1879 -61.278 183.558 -97.817 134.737 172.989 94.9929 -44.6136 184.794 PRESSAVG: 4012000 3.27685 -58.2124 13.2589 -58.2124 -19.0085 -5.59648 13.2589 -5.59644 13.4862 GPRESSAVG: 4012000 2.26027 -57.2069 13.3797 -58.3549 -19.1598 -3.86579 11.7567 -5.2167 14.798 TIMING: 4012000 CPU: 12033.9, 0.00308374/step Wall: 12033.9, 0.00308374/step, 0.846314 hours remaining, 206.417969 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: 4012000 762.8041 2104.3067 1956.4636 126.8430 -206422.3923 17908.5972 0.0000 0.0000 34293.2582 -149270.1194 299.4916 -183563.3776 -149176.6773 298.6108 79.6492 111.2395 556637.9653 -0.7485 -0.7005 PRESSURE: 4012200 -43.3715 -25.7811 -0.730022 -25.7812 122.53 -106.168 -0.730885 -106.167 -139.725 GPRESSURE: 4012200 -30.2326 17.1244 -59.3686 61.0738 149.209 -138.807 103.49 -122.962 -78.297 PRESSAVG: 4012200 -8.61371 2.46668 -55.6942 2.46669 35.0204 2.57587 -55.6942 2.57575 -21.4837 GPRESSAVG: 4012200 -7.84284 4.48246 -56.7246 2.30399 35.0149 3.37996 -53.8997 0.0596433 -22.244 TIMING: 4012200 CPU: 12034.5, 0.0030411/step Wall: 12034.5, 0.0030411/step, 0.834443 hours remaining, 206.417969 MB of memory in use. ENERGY: 4012200 766.4852 2100.3130 1975.6925 107.2732 -206323.3953 17749.6506 0.0000 0.0000 34372.3795 -149251.6013 300.1825 -183623.9807 -149153.5637 298.8904 -20.1887 13.5598 556941.0866 1.6410 1.6427 LDB: ============= START OF LOAD BALANCING ============== 12038 LDB: ============== END OF LOAD BALANCING =============== 12038 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12038 LDB: ============= START OF LOAD BALANCING ============== 12038.3 LDB: Largest compute 4822 load 0.023756 is 20.1% of average load 0.118130 LDB: Average compute 0.001733 is 1.5% of average load 0.118130 LDB: TIME 12038.3 LOAD: AVG 0.11813 MAX 0.2201 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.246 MB LDB: TIME 12038.3 LOAD: AVG 0.11813 MAX 0.2201 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.246 MB LDB: TIME 12038.3 LOAD: AVG 0.11813 MAX 0.2201 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.246 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12038.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12038.3 PRESSURE: 4012400 -24.4116 48.151 200.404 48.1505 -142.303 86.0684 200.404 86.0685 -16.2132 GPRESSURE: 4012400 -27.3811 21.9811 154.676 90.8241 -66.9631 108.769 260.039 190.606 9.06298 PRESSAVG: 4012400 2.94306 0.824021 40.0728 0.824003 -18.6089 -19.4133 40.0728 -19.4134 5.05976 GPRESSAVG: 4012400 4.19781 -0.967379 40.0979 -0.0815994 -19.3264 -20.1396 38.7824 -17.6202 4.42514 TIMING: 4012400 CPU: 12035.1, 0.00309929/step Wall: 12035.1, 0.00309929/step, 0.850238 hours remaining, 205.945312 MB of memory in use. ENERGY: 4012400 737.2988 2131.4729 1935.5874 117.8209 -206178.1992 17795.9289 0.0000 0.0000 34143.8606 -149316.2297 298.1868 -183460.0903 -149219.7135 298.9221 -60.9761 -28.4271 557322.7709 -3.5354 -3.5678 PRESSURE: 4012600 -188.546 128.506 19.5473 128.505 -159.511 -83.7299 19.548 -83.7296 61.7571 GPRESSURE: 4012600 -139.746 95.5995 85.1547 176.838 -144.536 -32.749 -55.2618 -88.9988 99.0546 PRESSAVG: 4012600 55.5425 -10.4299 12.5324 -10.4299 -97.0453 54.6881 12.5323 54.6882 17.876 GPRESSAVG: 4012600 54.5709 -10.7823 12.7411 -8.70771 -96.4438 53.8537 11.7176 55.1834 18.3488 TIMING: 4012600 CPU: 12035.8, 0.00303964/step Wall: 12035.8, 0.00303964/step, 0.833706 hours remaining, 205.945312 MB of memory in use. ENERGY: 4012600 760.3943 2081.8857 1967.7247 105.6343 -206146.8235 17704.7404 0.0000 0.0000 34345.5387 -149180.9055 299.9481 -183526.4442 -149075.9855 299.1092 -95.4333 -61.7426 555872.4183 -7.8756 -7.8413 PRESSURE: 4012800 57.3735 -7.49527 199.829 -7.49654 201.94 -73.8877 199.831 -73.888 -31.6674 GPRESSURE: 4012800 40.1746 43.8969 243.108 14.5292 240.312 -64.2292 225.515 -109.689 26.1683 PRESSAVG: 4012800 18.3503 -11.8097 25.8899 -11.8098 -20.8453 43.4327 25.8899 43.4326 5.34464 GPRESSAVG: 4012800 16.6709 -9.65205 25.782 -15.6063 -19.0096 43.592 24.9539 40.5338 5.1951 TIMING: 4012800 CPU: 12036.4, 0.00302845/step Wall: 12036.4, 0.00302845/step, 0.830469 hours remaining, 205.945312 MB of memory in use. ENERGY: 4012800 762.5917 2079.1297 1931.7161 105.2835 -206067.9114 17800.9555 0.0000 0.0000 34168.2490 -149219.9859 298.3998 -183388.2349 -149117.0376 299.3649 75.8820 102.2182 556344.1245 0.9499 0.9521 PRESSURE: 4013000 36.3669 -96.5315 -107.415 -96.5301 -141.142 20.8058 -107.414 20.8059 -234.036 GPRESSURE: 4013000 45.8866 -24.8329 -99.716 -129.726 -75.3956 -54.4679 -162.369 30.179 -212.455 PRESSAVG: 4013000 2.68543 -13.0575 9.6924 -13.0575 -15.8677 10.4813 9.69248 10.4812 15.4752 GPRESSAVG: 4013000 4.48799 -13.2747 9.04825 -11.6288 -18.2992 10.0561 9.25347 11.1844 15.7086 TIMING: 4013000 CPU: 12037, 0.00306776/step Wall: 12037, 0.00306776/step, 0.841077 hours remaining, 205.945312 MB of memory in use. ENERGY: 4013000 733.5136 2116.6475 1929.8464 114.3054 -206109.9899 17614.5186 0.0000 0.0000 34372.8221 -149228.3364 300.1864 -183601.1585 -149122.4960 299.8549 -112.9372 -80.6546 558043.3500 0.7643 0.6325 PRESSURE: 4013200 -192.358 -89.4297 17.1482 -89.4309 -56.0357 134.864 17.1475 134.863 -326.956 GPRESSURE: 4013200 -130.157 45.71 -49.2026 -165.779 -22.0425 112.41 1.67052 73.8337 -333.929 PRESSAVG: 4013200 -38.6557 -32.5761 -3.21375 -32.576 36.583 28.9373 -3.21371 28.9372 -27.5079 GPRESSAVG: 4013200 -39.4502 -34.0548 -2.93755 -31.4544 37.7793 28.6041 -1.65181 31.0344 -27.6729 TIMING: 4013200 CPU: 12037.6, 0.00307057/step Wall: 12037.6, 0.00307057/step, 0.841678 hours remaining, 205.945312 MB of memory in use. ENERGY: 4013200 794.9143 2083.7784 1950.0886 121.7847 -206164.0830 17659.5667 0.0000 0.0000 34284.8636 -149269.0867 299.4182 -183553.9503 -149167.1400 299.8378 -191.7832 -162.0429 558531.5658 -9.8602 -9.7813 PRESSURE: 4013400 100.331 101.335 170.293 101.335 -175.071 -121.73 170.293 -121.729 266.658 GPRESSURE: 4013400 118.003 65.4609 155.307 125.424 -115.507 -100.302 112.969 -178.367 282.797 PRESSAVG: 4013400 53.4659 -13.8358 -37.1795 -13.8358 -6.31232 -54.8576 -37.1794 -54.8578 -26.1202 GPRESSAVG: 4013400 54.4447 -13.8847 -37.3867 -12.9071 -6.5193 -53.5809 -39.7641 -55.2036 -27.0025 TIMING: 4013400 CPU: 12038.2, 0.0030941/step Wall: 12038.2, 0.0030941/step, 0.847954 hours remaining, 205.945312 MB of memory in use. ENERGY: 4013400 783.6908 2066.0479 1946.3967 122.9532 -206629.8237 18196.8595 0.0000 0.0000 34121.7686 -149392.1071 297.9939 -183513.8756 -149297.2867 298.9712 63.9725 95.0979 557333.7111 7.0111 6.9743 PRESSURE: 4013600 187.521 6.6194 120.187 6.61976 182.596 19.5977 120.187 19.5976 49.3733 GPRESSURE: 4013600 210.939 79.8011 88.778 37.6829 203.036 14.2543 100.709 -54.0015 105.876 PRESSAVG: 4013600 29.1971 32.2855 -2.54005 32.2855 -75.492 -37.7668 -2.54003 -37.7666 30.173 GPRESSAVG: 4013600 27.5377 31.8968 -1.32547 31.5886 -74.6574 -39.3915 -2.33134 -37.251 31.0661 TIMING: 4013600 CPU: 12038.8, 0.00309125/step Wall: 12038.8, 0.00309125/step, 0.847004 hours remaining, 205.945312 MB of memory in use. ENERGY: 4013600 774.5994 2055.5358 1942.2078 107.6614 -206429.9913 18084.7595 0.0000 0.0000 34062.6415 -149402.5859 297.4775 -183465.2274 -149311.8757 298.3245 139.8300 173.2837 558761.3855 -5.3740 -5.3512 PRESSURE: 4013800 -128.543 98.3626 123.632 98.3623 -33.7995 -203.897 123.631 -203.896 67.654 GPRESSURE: 4013800 -80.5988 109.92 166.232 78.6713 -27.0143 -122.716 157.895 -281.774 106.597 PRESSAVG: 4013800 -24.632 23.2838 -23.8504 23.2839 -8.28082 -69.3505 -23.8504 -69.3505 30.0138 GPRESSAVG: 4013800 -23.2918 25.0084 -26.814 22.8758 -8.71807 -70.2037 -19.1951 -68.6553 29.1546 TIMING: 4013800 CPU: 12039.4, 0.00308315/step Wall: 12039.4, 0.00308315/step, 0.844612 hours remaining, 205.945312 MB of memory in use. ENERGY: 4013800 735.3386 2097.6186 1946.3767 120.9228 -206353.1530 17755.3970 0.0000 0.0000 34355.4646 -149342.0348 300.0348 -183697.4993 -149244.2185 299.3681 -31.5627 -0.3386 559380.9626 -0.9663 -0.9517 PRESSURE: 4014000 -79.4625 21.2586 -136.285 21.2607 -130.17 -113.539 -136.285 -113.54 -96.0263 GPRESSURE: 4014000 -71.972 2.48135 -69.7885 10.2628 -70.9778 -73.4982 -63.3915 -124.681 -67.1882 PRESSAVG: 4014000 11.0298 5.89366 -38.8825 5.89363 -56.8897 4.91668 -38.8826 4.9166 43.582 GPRESSAVG: 4014000 10.1862 5.59479 -35.169 6.40718 -56.7224 5.2672 -42.3891 3.7683 44.0518 TIMING: 4014000 CPU: 12040.1, 0.00310189/step Wall: 12040.1, 0.00310189/step, 0.849573 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: 4014000 758.2574 2084.3782 1958.3249 112.8278 -206407.6418 17916.3788 0.0000 0.0000 34239.9868 -149337.4880 299.0263 -183577.4747 -149242.3423 298.8744 -101.8863 -70.0460 559779.5388 -0.7593 -0.8281 PRESSURE: 4014200 -80.5193 -78.743 104.129 -78.7436 -83.7823 102.797 104.13 102.796 -64.9119 GPRESSURE: 4014200 18.958 -135.556 65.2781 -53.2919 -116.156 187.068 48.2397 -15.0445 -30.541 PRESSAVG: 4014200 35.8496 25.0169 18.3074 25.0169 -58.5813 -25.1874 18.3074 -25.1875 -9.45387 GPRESSAVG: 4014200 36.3025 24.5296 16.8888 25.258 -59.6137 -22.9625 20.447 -25.0576 -8.67123 TIMING: 4014200 CPU: 12040.7, 0.00309589/step Wall: 12040.7, 0.00309589/step, 0.847758 hours remaining, 205.945312 MB of memory in use. ENERGY: 4014200 776.3357 2102.3417 1926.5285 114.3325 -206375.7851 17895.5316 0.0000 0.0000 34167.0290 -149393.6860 298.3892 -183560.7151 -149292.4774 298.6310 -76.4045 -42.5796 558457.3092 -10.7285 -10.6608 PRESSURE: 4014400 -272.823 -93.1345 -109.546 -93.1357 -213.208 -96.4784 -109.545 -96.48 -56.4207 GPRESSURE: 4014400 -280.547 -43.4372 -123.007 -151.942 -176.197 -65.1651 -161.111 -23.9141 29.2548 PRESSAVG: 4014400 -21.6003 40.9647 52.6263 40.9647 -46.2704 -17.7419 52.6262 -17.7419 77.434 GPRESSAVG: 4014400 -22.2697 39.0835 52.1369 41.1744 -46.0389 -16.8192 50.6182 -18.9517 78.3777 TIMING: 4014400 CPU: 12041.3, 0.00306536/step Wall: 12041.3, 0.00306536/step, 0.839227 hours remaining, 205.945312 MB of memory in use. ENERGY: 4014400 731.8563 2118.5923 1962.2957 105.3788 -206112.8404 17556.4305 0.0000 0.0000 34359.9486 -149278.3383 300.0740 -183638.2869 -149180.1249 298.9336 -180.8171 -142.4965 558071.3357 3.1877 3.3563 PRESSURE: 4014600 -387.248 74.9434 -17.424 74.9446 104.755 53.1653 -17.4239 53.1651 -184.487 GPRESSURE: 4014600 -295.291 49.4837 -25.6583 78.3389 94.921 -30.2945 4.90044 171.188 -172.524 PRESSAVG: 4014600 7.29549 27.1885 34.8226 27.1885 -55.1663 19.6991 34.8226 19.699 45.361 GPRESSAVG: 4014600 7.51358 31.4268 34.081 27.6925 -54.2575 16.5433 35.4582 22.1421 44.1081 TIMING: 4014600 CPU: 12041.9, 0.00307684/step Wall: 12041.9, 0.00307684/step, 0.842201 hours remaining, 205.945312 MB of memory in use. ENERGY: 4014600 723.9560 2076.8887 1979.5176 122.6797 -206042.9346 17648.8782 0.0000 0.0000 34179.1663 -149311.8481 298.4952 -183491.0144 -149220.3038 298.7360 -155.6598 -124.2980 559528.7217 -0.8366 -0.8786 PRESSURE: 4014800 -168.74 77.0158 75.9246 77.015 137.551 -142.786 75.9255 -142.786 1.44048 GPRESSURE: 4014800 -111.496 62.0982 60.1838 99.1749 105.852 -141.966 164.941 -152.747 72.6246 PRESSAVG: 4014800 -79.2469 48.834 81.0256 48.834 40.5748 -60.6813 81.0256 -60.6813 69.2991 GPRESSAVG: 4014800 -79.3819 47.1367 80.9497 48.4043 39.8234 -60.6124 82.9767 -61.8769 69.9487 TIMING: 4014800 CPU: 12042.5, 0.00308289/step Wall: 12042.5, 0.00308289/step, 0.843683 hours remaining, 205.945312 MB of memory in use. ENERGY: 4014800 741.8468 2061.8400 1960.4972 121.2274 -206468.9894 17999.5703 0.0000 0.0000 34272.8342 -149311.1734 299.3132 -183584.0077 -149219.3054 299.0044 -9.9162 22.3268 558512.0892 10.2090 10.1301 PRESSURE: 4015000 -190.602 -7.69166 -149.05 -7.69133 1.23896 -26.9679 -149.051 -26.9674 109.557 GPRESSURE: 4015000 -125.54 61.3248 -146.594 -108.699 -4.9021 7.00937 -189.994 -98.8567 127.158 PRESSAVG: 4015000 -44.116 34.5594 27.9222 34.5595 43.1025 -22.9035 27.9222 -22.9036 11.1839 GPRESSAVG: 4015000 -43.7385 34.3472 27.6761 34.4914 43.1319 -22.6828 25.8833 -23.1478 10.3791 TIMING: 4015000 CPU: 12043.1, 0.00306847/step Wall: 12043.1, 0.00306847/step, 0.839567 hours remaining, 205.945312 MB of memory in use. ENERGY: 4015000 717.1208 2095.1443 1956.7953 124.6750 -206114.4453 17798.0131 0.0000 0.0000 34023.8369 -149398.8598 297.1386 -183422.6967 -149302.7244 298.8395 -26.6019 -1.0949 557850.1677 3.3902 3.2575 PRESSURE: 4015200 25.3187 -58.6934 -83.7177 -58.6933 -223.365 -18.256 -83.7176 -18.255 -21.3441 GPRESSURE: 4015200 27.3816 -83.3522 -41.8229 46.9521 -162.466 -31.2275 -19.0614 17.5548 12.1415 PRESSAVG: 4015200 45.7035 74.5092 3.40173 74.5093 0.0317943 2.26522 3.40171 2.26525 3.95688 GPRESSAVG: 4015200 45.3888 74.1499 4.93212 72.8673 0.158261 0.92289 2.6571 3.74187 3.69097 TIMING: 4015200 CPU: 12043.8, 0.00308311/step Wall: 12043.8, 0.00308311/step, 0.843401 hours remaining, 205.945312 MB of memory in use. ENERGY: 4015200 741.8132 2073.0706 1950.8048 118.0010 -205831.3222 17707.6981 0.0000 0.0000 33983.6264 -149256.3082 296.7875 -183239.9346 -149160.6873 298.7759 -73.1303 -40.9809 557239.2379 16.5641 16.4127 PRESSURE: 4015400 -81.8247 -20.9347 -24.7325 -20.9367 0.916414 -28.056 -24.7316 -28.0557 -3.65906 GPRESSURE: 4015400 -7.60246 -18.5473 66.8941 -9.74474 -20.4031 -48.9678 -57.4787 63.6593 43.9264 PRESSAVG: 4015400 -13.202 7.37913 -28.0529 7.37908 -25.7094 2.87411 -28.0529 2.87412 27.0074 GPRESSAVG: 4015400 -14.0958 6.74437 -28.4442 8.57008 -24.4511 4.91488 -29.5904 1.80694 27.2224 TIMING: 4015400 CPU: 12044.4, 0.00302374/step Wall: 12044.4, 0.00302375/step, 0.826994 hours remaining, 205.945312 MB of memory in use. ENERGY: 4015400 776.5519 2106.6447 1942.8016 118.6639 -206223.9450 17705.7667 0.0000 0.0000 34259.5086 -149314.0077 299.1968 -183573.5162 -149224.7142 299.0160 -28.1891 5.3069 556920.9547 -3.9680 -3.7749 PRESSURE: 4015600 187.857 -54.547 -35.8012 -54.5467 101.711 57.2928 -35.8003 57.2934 7.96219 GPRESSURE: 4015600 210.24 26.124 -91.0782 -103.888 112.408 62.1918 -24.947 122.045 58.8293 PRESSAVG: 4015600 28.3081 8.15731 5.38643 8.15728 -6.15821 48.617 5.38647 48.6169 -34.9423 GPRESSAVG: 4015600 29.0509 8.87291 4.96235 7.63495 -7.45598 47.7915 6.57837 48.9272 -34.1293 TIMING: 4015600 CPU: 12045, 0.00299969/step Wall: 12045, 0.00299969/step, 0.820248 hours remaining, 205.945312 MB of memory in use. ENERGY: 4015600 739.9584 2080.6583 1921.9323 104.2155 -206252.8272 17954.5264 0.0000 0.0000 34115.0418 -149336.4945 297.9351 -183451.5363 -149245.2438 298.5438 99.1764 127.1592 556877.5942 -4.2641 -4.1781 PRESSURE: 4015800 -137.557 -82.1943 -123.891 -82.1934 4.96063 -5.589 -123.89 -5.58935 -420.833 GPRESSURE: 4015800 -130.703 -86.297 -35.1275 -3.85871 12.2391 16.8119 -179.551 -51.1037 -332.336 PRESSAVG: 4015800 -36.0514 -18.0439 6.00535 -18.044 20.039 19.2939 6.00541 19.2939 28.148 GPRESSAVG: 4015800 -35.7341 -19.2709 7.84277 -16.6861 19.7869 20.1156 5.99755 19.1556 28.2196 TIMING: 4015800 CPU: 12045.6, 0.00305433/step Wall: 12045.6, 0.00305433/step, 0.835019 hours remaining, 205.945312 MB of memory in use. ENERGY: 4015800 740.5458 2068.6733 1932.4619 112.7549 -205836.9821 17399.1558 0.0000 0.0000 34249.6470 -149333.7435 299.1107 -183583.3905 -149239.2301 298.7613 -184.4765 -150.2668 556435.0652 4.0452 4.0908 PRESSURE: 4016000 -122.83 31.251 203.79 31.2502 -482.58 -44.0008 203.789 -44.002 -265.1 GPRESSURE: 4016000 -35.8073 46.6179 266.124 119.184 -452.466 -0.871233 209.294 20.4473 -271.994 PRESSAVG: 4016000 14.8175 30.9161 9.65606 30.9162 -14.0228 12.1928 9.65606 12.1929 -5.26917 GPRESSAVG: 4016000 14.7028 31.5494 8.42192 29.9371 -13.0355 12.6207 10.3794 10.9248 -5.78807 TIMING: 4016000 CPU: 12046.2, 0.00304297/step Wall: 12046.2, 0.00304297/step, 0.831745 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: 4016000 729.9660 2112.4888 1944.6780 112.0976 -205720.5820 17264.0118 0.0000 0.0000 34353.0734 -149204.2663 300.0139 -183557.3397 -149114.9167 298.8285 -290.1701 -253.4224 558245.2858 -1.4915 -1.3736 PRESSURE: 4016200 -2.41795 129.353 118.169 129.353 152.627 37.9132 118.17 37.9128 -1.06483 GPRESSURE: 4016200 40.7746 150.355 187.982 163.554 150.701 164.595 68.0874 -58.9026 55.1263 PRESSAVG: 4016200 45.1808 33.5477 -12.0865 33.5477 2.49772 11.019 -12.0866 11.0189 -32.5108 GPRESSAVG: 4016200 45.4493 31.1298 -12.3043 32.6628 1.59167 11.9744 -11.3295 10.8855 -32.097 TIMING: 4016200 CPU: 12046.8, 0.00306524/step Wall: 12046.8, 0.00306524/step, 0.837662 hours remaining, 205.945312 MB of memory in use. ENERGY: 4016200 727.0378 2073.2335 1929.9948 109.0286 -205932.8988 17868.0709 0.0000 0.0000 34051.4280 -149174.1051 297.3796 -183225.5331 -149079.1017 298.9887 49.7147 82.2005 559704.3449 5.0559 4.9813 LDB: ============= START OF LOAD BALANCING ============== 12050.2 LDB: ============== END OF LOAD BALANCING =============== 12050.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12050.2 LDB: ============= START OF LOAD BALANCING ============== 12050.5 LDB: Largest compute 4822 load 0.024262 is 20.6% of average load 0.118019 LDB: Average compute 0.001727 is 1.5% of average load 0.118019 LDB: TIME 12050.5 LOAD: AVG 0.118019 MAX 0.220189 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.434 MB LDB: TIME 12050.5 LOAD: AVG 0.118019 MAX 0.220189 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.438 MB LDB: TIME 12050.5 LOAD: AVG 0.118019 MAX 0.220189 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.438 MB LDB: ============== END OF LOAD BALANCING =============== 12050.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12050.5 PRESSURE: 4016400 -26.3263 80.8288 -61.0248 80.8287 -146.342 82.3503 -61.0261 82.3505 -168.428 GPRESSURE: 4016400 70.0492 101.215 -34.6908 33.7462 -122.809 148.926 25.1974 40.5239 -191.443 PRESSAVG: 4016400 32.4376 3.64564 25.4679 3.64563 -46.1314 10.4054 25.468 10.4054 -0.283284 GPRESSAVG: 4016400 32.2035 6.24807 24.6846 5.5721 -44.6275 7.79788 25.1406 11.8923 -1.7706 TIMING: 4016400 CPU: 12047.4, 0.00312293/step Wall: 12047.4, 0.00312293/step, 0.853254 hours remaining, 206.203125 MB of memory in use. ENERGY: 4016400 727.9534 2090.1506 1939.7127 119.7374 -205533.1314 17319.0909 0.0000 0.0000 34363.1532 -148973.3332 300.1020 -183336.4864 -148873.9647 299.2249 -113.6988 -81.4012 559157.9868 -4.6590 -4.7316 PRESSURE: 4016600 186.92 -19.0187 41.9045 -19.0187 -356.006 66.8756 41.905 66.8759 54.2631 GPRESSURE: 4016600 192.823 6.21299 74.347 -42.5584 -288.366 64.3159 -9.17786 67.8536 75.0045 PRESSAVG: 4016600 26.7293 -2.67788 -25.4116 -2.6779 -35.344 16.1597 -25.4118 16.1598 -11.8949 GPRESSAVG: 4016600 26.2893 -2.48584 -25.1704 -4.2694 -35.1368 16.1867 -25.3716 17.1406 -11.4575 TIMING: 4016600 CPU: 12048, 0.00307549/step Wall: 12048, 0.00307549/step, 0.840122 hours remaining, 206.203125 MB of memory in use. ENERGY: 4016600 748.5392 2123.1432 1923.8101 116.3723 -206128.8112 17844.0232 0.0000 0.0000 34417.6487 -148955.2744 300.5779 -183372.9231 -148851.9932 300.2143 -38.2746 -6.8461 558061.4473 -6.8365 -6.7683 PRESSURE: 4016800 -112.22 6.08796 57.14 6.08843 -49.0129 92.2769 57.1399 92.2777 -164.268 GPRESSURE: 4016800 -55.9944 42.8893 68.4597 38.4704 -2.49195 106.936 11.1884 192.901 -179.105 PRESSAVG: 4016800 27.9259 -17.2566 3.01555 -17.2566 -62.2898 61.2465 3.01547 61.2465 15.4245 GPRESSAVG: 4016800 29.1001 -18.0631 3.15592 -15.3866 -63.629 62.6602 1.92478 61.7919 15.7723 TIMING: 4016800 CPU: 12048.7, 0.00309614/step Wall: 12048.7, 0.00309614/step, 0.845589 hours remaining, 206.203125 MB of memory in use. ENERGY: 4016800 746.8698 2146.2072 1937.0508 106.7264 -205540.4255 17656.4543 0.0000 0.0000 34210.5920 -148736.5250 298.7696 -182947.1171 -148642.9143 299.9054 -108.5003 -79.1971 560659.9748 -6.3131 -6.2522 PRESSURE: 4017000 -26.4629 68.4117 232.491 68.4118 134.901 56.2825 232.492 56.2841 122.288 GPRESSURE: 4017000 -48.2029 61.1764 137.577 136.171 232.468 50.8897 222.546 85.0768 148.465 PRESSAVG: 4017000 -31.9617 18.1475 14.1529 18.1476 -18.6293 -20.8009 14.1529 -20.8009 27.8462 GPRESSAVG: 4017000 -32.3304 17.4268 12.9861 17.8678 -17.8824 -19.9829 15.0957 -22.2797 27.9757 TIMING: 4017000 CPU: 12049.3, 0.003039/step Wall: 12049.3, 0.003039/step, 0.829816 hours remaining, 206.203125 MB of memory in use. ENERGY: 4017000 710.6045 2103.4620 1938.8490 119.0381 -206080.8047 17869.1959 0.0000 0.0000 34365.6587 -148973.9966 300.1238 -183339.6552 -148871.6542 299.3723 76.9087 110.9098 559808.3045 -7.5816 -7.4124 PRESSURE: 4017200 125.996 42.7886 -70.9135 42.7887 138.645 -59.2503 -70.9136 -59.2494 28.2863 GPRESSURE: 4017200 146.649 -8.13717 13.4891 51.1774 153.934 -85.93 -80.3127 14.4807 83.9752 PRESSAVG: 4017200 23.5115 28.2987 26.015 28.2987 -39.2047 -16.645 26.0151 -16.6451 -0.368942 GPRESSAVG: 4017200 22.6078 30.2337 26.1346 26.6911 -39.6358 -17.2936 26.4205 -15.0528 1.1111 TIMING: 4017200 CPU: 12049.9, 0.00306429/step Wall: 12049.9, 0.00306429/step, 0.836551 hours remaining, 206.203125 MB of memory in use. ENERGY: 4017200 753.4248 2064.4278 1938.6361 113.4776 -206246.8780 18014.8398 0.0000 0.0000 34226.0717 -149136.0000 298.9048 -183362.0717 -149043.5445 300.2232 97.6426 128.1862 557911.0502 -5.3540 -5.3056 PRESSURE: 4017400 -39.7626 80.3274 -86.841 80.3277 -317.318 -30.4577 -86.84 -30.4576 72.9696 GPRESSURE: 4017400 -35.2745 93.0881 -93.8279 71.4277 -255.145 46.3191 -74.2899 -83.3707 94.7038 PRESSAVG: 4017400 35.1893 57.2676 0.365424 57.2676 9.72738 -15.4286 0.365412 -15.4286 -25.5735 GPRESSAVG: 4017400 36.5809 53.4098 2.998 59.3226 9.36897 -16.2417 -1.67881 -16.7494 -26.2753 TIMING: 4017400 CPU: 12050.5, 0.00307839/step Wall: 12050.5, 0.00307839/step, 0.84023 hours remaining, 206.203125 MB of memory in use. ENERGY: 4017400 756.8077 2121.1246 1946.3531 104.4330 -205878.5346 17682.0395 0.0000 0.0000 34027.7600 -149240.0166 297.1729 -183267.7767 -149139.3093 299.3863 -94.7036 -65.2386 558419.3335 6.4477 6.5582 PRESSURE: 4017600 -191.517 50.0156 -3.62914 50.0168 -291.611 -120.071 -3.6286 -120.07 24.1225 GPRESSURE: 4017600 -203.37 86.7798 -72.766 18.7756 -192.448 -110.942 22.758 -58.0757 31.3394 PRESSAVG: 4017600 -5.21276 24.547 39.2504 24.547 -11.0584 22.059 39.2503 22.0589 29.9137 GPRESSAVG: 4017600 -5.87921 25.7765 39.1894 25.963 -11.5982 22.004 38.3951 24.8444 31.3702 TIMING: 4017600 CPU: 12051.1, 0.00306918/step Wall: 12051.1, 0.00306918/step, 0.837545 hours remaining, 206.203125 MB of memory in use. ENERGY: 4017600 765.0240 2151.0737 1946.5562 115.1947 -206152.5612 17629.4699 0.0000 0.0000 34207.1084 -149338.1344 298.7392 -183545.2427 -149242.8855 298.5444 -153.0021 -121.4929 557810.2614 4.5475 4.6309 PRESSURE: 4017800 -125.705 -75.2595 -66.1435 -75.2594 74.6639 -111.872 -66.143 -111.873 -514.892 GPRESSURE: 4017800 -103.669 15.5427 -139.773 -76.3307 102.739 -53.379 -49.9273 -174.631 -464.661 PRESSAVG: 4017800 -18.1282 -10.8563 12.0059 -10.8563 -31.5219 40.9322 12.0058 40.9322 30.3237 GPRESSAVG: 4017800 -17.7654 -9.28116 9.91689 -12.396 -31.2537 43.4551 15.2355 36.8415 29.3733 TIMING: 4017800 CPU: 12051.7, 0.00305151/step Wall: 12051.7, 0.00305151/step, 0.832553 hours remaining, 206.203125 MB of memory in use. ENERGY: 4017800 749.2939 2106.9731 1952.2461 110.9150 -205384.3952 17187.9182 0.0000 0.0000 34084.0689 -149192.9801 297.6647 -183277.0490 -149109.1539 299.1536 -188.6442 -155.1967 557390.5737 -6.4421 -6.5486 PRESSURE: 4018000 14.1832 -227.487 -24.1707 -227.487 -182.08 -2.76291 -24.1709 -2.7622 72.3315 GPRESSURE: 4018000 60.9109 -177.331 -4.6727 -240.74 -160.751 91.83 -5.16293 34.0454 103.508 PRESSAVG: 4018000 4.0578 -10.4449 28.3225 -10.4448 -55.9696 -24.3386 28.3225 -24.3386 32.5234 GPRESSAVG: 4018000 4.25916 -9.94168 30.829 -14.1501 -55.8959 -26.2868 27.0009 -22.132 32.0834 TIMING: 4018000 CPU: 12052.3, 0.00306939/step Wall: 12052.3, 0.00306939/step, 0.837261 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: 4018000 751.1116 2127.7293 1921.9950 108.6644 -205906.6850 17561.9158 0.0000 0.0000 34232.4008 -149202.8681 298.9601 -183435.2690 -149108.9285 298.5728 -31.8552 1.2227 556395.7488 -6.4628 -6.5178 PRESSURE: 4018200 156.5 -94.3381 37.6356 -94.3372 158.117 225.312 37.6362 225.311 309.33 GPRESSURE: 4018200 186.738 -92.2361 39.7235 -93.5281 177.927 123.865 28.1192 199.198 365.217 PRESSAVG: 4018200 11.3039 2.6979 -29.6353 2.69783 -82.3512 -34.1949 -29.6352 -34.195 76.9364 GPRESSAVG: 4018200 10.3399 1.94196 -30.2615 4.80582 -81.9381 -35.378 -30.1061 -33.3304 77.8418 TIMING: 4018200 CPU: 12052.9, 0.00303022/step Wall: 12052.9, 0.00303022/step, 0.826409 hours remaining, 206.203125 MB of memory in use. ENERGY: 4018200 744.4327 2099.6660 1952.2585 114.0274 -206498.5545 18033.9806 0.0000 0.0000 34310.7976 -149243.3916 299.6447 -183554.1892 -149149.6429 299.0139 207.9822 243.2941 554746.9250 1.9630 2.0812 PRESSURE: 4018400 112.232 16.0619 -5.75326 16.0615 -68.64 136.898 -5.75153 136.898 -41.5196 GPRESSURE: 4018400 124.313 51.9017 -47.4818 45.6238 2.53096 139.696 -21.7649 143.101 -30.1571 PRESSAVG: 4018400 31.3711 -20.9263 -44.4433 -20.9263 -30.3711 -3.86622 -44.4433 -3.86629 52.0255 GPRESSAVG: 4018400 31.6952 -20.7453 -45.7659 -21.1661 -31.0606 -2.83838 -42.1413 -4.50029 52.1175 TIMING: 4018400 CPU: 12053.5, 0.00307191/step Wall: 12053.5, 0.00307191/step, 0.837607 hours remaining, 206.203125 MB of memory in use. ENERGY: 4018400 772.5309 2134.7655 1931.8167 111.6964 -206143.3902 17815.1609 0.0000 0.0000 34239.8011 -149137.6187 299.0247 -183377.4198 -149049.2676 299.5962 0.6910 32.2288 555065.1159 17.6751 17.5841 PRESSURE: 4018600 67.7197 -13.1988 -113.814 -13.1982 -23.9343 139.043 -113.814 139.042 -109.87 GPRESSURE: 4018600 122.532 14.9525 46.3958 14.7027 -52.5163 89.9423 -181.749 144.522 -42.5809 PRESSAVG: 4018600 12.0448 35.6136 -11.388 35.6135 -16.3742 45.6875 -11.388 45.6876 20.9218 GPRESSAVG: 4018600 12.7711 34.0774 -9.11142 35.1842 -16.4857 46.931 -14.3228 43.9792 20.6004 TIMING: 4018600 CPU: 12054.2, 0.0030474/step Wall: 12054.2, 0.0030474/step, 0.830755 hours remaining, 206.203125 MB of memory in use. ENERGY: 4018600 735.2658 2041.1707 1967.6265 121.3543 -206224.6265 17814.4428 0.0000 0.0000 34274.2999 -149270.4666 299.3260 -183544.7665 -149172.2128 299.0167 -22.0282 9.1450 556977.2483 5.5308 5.6286 PRESSURE: 4018800 111.833 -6.26835 -40.3533 -6.26858 -131.958 -16.1634 -40.3533 -16.1618 -125.676 GPRESSURE: 4018800 134.847 -55.0095 -39.7265 8.34699 -107.468 -27.524 -50.4226 -95.483 -78.3407 PRESSAVG: 4018800 21.4463 14.5779 -16.722 14.5779 16.7318 -12.8935 -16.7221 -12.8935 -71.6237 GPRESSAVG: 4018800 20.7062 14.1587 -17.3903 16.5775 17.785 -12.0027 -16.2844 -13.0337 -71.8357 TIMING: 4018800 CPU: 12054.8, 0.00303094/step Wall: 12054.8, 0.00303094/step, 0.8261 hours remaining, 206.203125 MB of memory in use. ENERGY: 4018800 731.3461 2106.9938 1931.4539 115.5876 -206116.4180 17641.8338 0.0000 0.0000 34438.8318 -149150.3711 300.7629 -183589.2029 -149052.9881 299.4129 -48.6003 -16.9871 556916.9074 -11.1486 -11.1148 PRESSURE: 4019000 -115.061 49.5359 68.7226 49.5363 -58.5305 -36.4185 68.7225 -36.4182 -245.339 GPRESSURE: 4019000 -165.58 -7.7572 -5.90072 75.05 5.03115 41.8382 144.184 -50.8501 -166.145 PRESSAVG: 4019000 22.5836 -20.3861 43.5651 -20.386 12.4006 -69.8369 43.5651 -69.8369 -14.1536 GPRESSAVG: 4019000 22.4252 -20.0774 42.1134 -21.6749 12.8141 -69.8019 45.7011 -67.8551 -13.8749 TIMING: 4019000 CPU: 12055.4, 0.00305471/step Wall: 12055.4, 0.00305471/step, 0.832409 hours remaining, 206.203125 MB of memory in use. ENERGY: 4019000 731.3447 2105.8569 1973.3001 106.9660 -206045.4631 17704.2042 0.0000 0.0000 34101.0616 -149322.7296 297.8131 -183423.7912 -149226.7372 299.1807 -139.6434 -108.8979 558397.2679 6.9435 7.1215 PRESSURE: 4019200 20.9483 87.9184 62.875 87.9183 348.166 -55.5017 62.8753 -55.5044 288.163 GPRESSURE: 4019200 24.4933 60.2851 99.9403 90.7114 383.447 -25.0943 27.4092 -25.6307 350.801 PRESSAVG: 4019200 -38.2462 -27.3119 22.2459 -27.3118 34.8813 26.967 22.246 26.967 4.31426 GPRESSAVG: 4019200 -37.6541 -25.6255 22.9997 -28.3442 34.5939 25.4129 20.8203 28.8872 3.74547 TIMING: 4019200 CPU: 12056, 0.00305645/step Wall: 12056, 0.00305645/step, 0.832713 hours remaining, 206.203125 MB of memory in use. ENERGY: 4019200 734.5654 2041.9005 1945.1237 121.5763 -206501.8132 18207.2387 0.0000 0.0000 34283.1128 -149168.2958 299.4030 -183451.4086 -149071.1419 299.1145 219.0922 252.9138 557401.8660 0.3165 0.2284 PRESSURE: 4019400 60.9171 6.97865 6.32159 6.97775 99.893 -205.873 6.32151 -205.873 -58.9503 GPRESSURE: 4019400 138.327 -18.7942 81.1902 -25.5108 140.287 -191.468 -9.21998 -121.559 -72.4237 PRESSAVG: 4019400 -0.570323 -0.223012 -1.47012 -0.222979 -41.7289 -0.404502 -1.47015 -0.404529 82.8837 GPRESSAVG: 4019400 -0.497307 -0.757299 -2.01572 0.084035 -41.4244 -0.285511 -0.8008 -0.53054 82.5898 TIMING: 4019400 CPU: 12056.6, 0.00301605/step Wall: 12056.6, 0.00301605/step, 0.821538 hours remaining, 206.203125 MB of memory in use. ENERGY: 4019400 733.9882 2082.5725 1952.0757 124.8005 -206519.8673 18153.6321 0.0000 0.0000 34286.7470 -149186.0513 299.4347 -183472.7983 -149085.6428 299.1316 33.9532 68.7300 557498.8299 13.5282 13.5560 PRESSURE: 4019600 89.1893 -52.8717 33.4488 -52.8717 8.7926 -80.6058 33.4489 -80.6029 -227.747 GPRESSURE: 4019600 112.779 -35.1014 14.4436 -94.1349 15.6429 -105.626 -1.47124 -149.298 -172.162 PRESSAVG: 4019600 -71.2715 -32.8077 4.78834 -32.8078 13.3849 -42.2856 4.7884 -42.2856 12.4053 GPRESSAVG: 4019600 -70.734 -33.4467 5.30199 -31.571 13.4036 -43.9579 3.50709 -42.2373 12.1305 TIMING: 4019600 CPU: 12057.2, 0.00303968/step Wall: 12057.2, 0.00303968/step, 0.827806 hours remaining, 206.203125 MB of memory in use. ENERGY: 4019600 806.1683 2133.5748 1934.7187 124.1606 -206309.1246 17918.3303 0.0000 0.0000 34378.2921 -149013.8798 300.2342 -183392.1719 -148924.5739 300.0806 -43.2550 -14.5800 558238.4621 -15.1604 -15.0666 PRESSURE: 4019800 -24.7372 -226.413 109.756 -226.414 -197.602 35.1574 109.755 35.1565 123.884 GPRESSURE: 4019800 19.3411 -196.765 126.657 -179.605 -167.438 59.6147 181.898 7.28772 144.469 PRESSAVG: 4019800 52.2195 -50.5587 48.9989 -50.5587 25.2137 -6.66296 48.9989 -6.66295 -13.1457 GPRESSAVG: 4019800 51.4307 -50.4093 49.8035 -48.8314 24.7727 -5.47334 49.0759 -8.88039 -12.1646 TIMING: 4019800 CPU: 12057.8, 0.00301677/step Wall: 12057.8, 0.00301677/step, 0.8214 hours remaining, 206.203125 MB of memory in use. ENERGY: 4019800 788.1209 2041.2928 1935.9711 123.9563 -206267.7190 17950.8340 0.0000 0.0000 34305.3170 -149122.2268 299.5969 -183427.5439 -149025.1189 300.0661 -32.8182 -1.2092 558148.5379 21.4292 21.3463 PRESSURE: 4020000 59.4848 -12.6136 89.3723 -12.6126 -240.571 106.9 89.3735 106.901 -90.6651 GPRESSURE: 4020000 67.3527 57.1112 42.0963 -77.7029 -139.142 1.09913 165.657 104.704 -101.31 PRESSAVG: 4020000 6.91484 6.64711 14.8559 6.64703 -14.1226 16.3021 14.8559 16.3021 6.0996 GPRESSAVG: 4020000 6.28956 8.38789 12.446 3.98517 -14.5666 16.3365 15.9776 18.8565 6.69001 TIMING: 4020000 CPU: 12058.4, 0.00305277/step Wall: 12058.4, 0.00305277/step, 0.831032 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: 4020000 774.9461 2077.0227 1901.3483 117.1665 -205544.8885 17555.6755 0.0000 0.0000 34322.9171 -148795.8124 299.7506 -183118.7294 -148699.9691 299.2565 -90.5838 -57.6997 559345.9625 -0.3694 -0.5290 PRESSURE: 4020200 31.7058 -106.237 -87.6831 -106.237 160.675 108.806 -87.6817 108.804 216.027 GPRESSURE: 4020200 48.2842 -52.4919 -136.921 -182.203 221.792 145.638 -111.401 77.4907 233.673 PRESSAVG: 4020200 6.5125 2.00676 43.9773 2.00674 24.0525 54.6661 43.9773 54.6662 0.857526 GPRESSAVG: 4020200 7.73629 2.03054 43.481 0.511721 23.4711 55.8148 46.0414 53.5302 0.20731 TIMING: 4020200 CPU: 12059, 0.0030755/step Wall: 12059, 0.0030755/step, 0.837048 hours remaining, 206.203125 MB of memory in use. ENERGY: 4020200 736.7491 2108.0009 1933.4177 119.2893 -205968.1201 17926.3018 0.0000 0.0000 34387.2817 -148757.0795 300.3127 -183144.3613 -148659.7957 300.5491 136.1362 167.9162 558601.4833 10.4742 10.4716 LDB: ============= START OF LOAD BALANCING ============== 12062.5 LDB: ============== END OF LOAD BALANCING =============== 12062.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12062.5 LDB: ============= START OF LOAD BALANCING ============== 12062.8 LDB: Largest compute 4820 load 0.023773 is 20.1% of average load 0.118206 LDB: Average compute 0.001727 is 1.5% of average load 0.118206 LDB: TIME 12062.8 LOAD: AVG 0.118206 MAX 0.220657 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.742 MB LDB: TIME 12062.8 LOAD: AVG 0.118206 MAX 0.220657 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: TIME 12062.8 LOAD: AVG 0.118206 MAX 0.220657 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.742 MB LDB: ============== END OF LOAD BALANCING =============== 12062.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12062.8 PRESSURE: 4020400 -206.45 -70.5639 66.932 -70.5634 122.145 -95.0974 66.9327 -95.0996 -243.025 GPRESSURE: 4020400 -146.496 -115.83 135.065 -41.868 140.256 -89.1609 13.8064 -72.2514 -229.907 PRESSAVG: 4020400 15.6736 -30.1002 6.16696 -30.1002 81.3066 -39.3514 6.16698 -39.3515 -45.6335 GPRESSAVG: 4020400 16.0475 -31.3055 8.01479 -28.5149 81.8739 -38.444 4.63635 -39.3941 -46.4182 TIMING: 4020400 CPU: 12059.7, 0.00312527/step Wall: 12059.7, 0.00312527/step, 0.850421 hours remaining, 205.742188 MB of memory in use. ENERGY: 4020400 759.2332 2088.7702 1945.7892 131.3213 -205988.9198 17883.5439 0.0000 0.0000 34232.9733 -148947.2887 298.9651 -183180.2620 -148849.5962 300.4820 -109.1102 -78.7157 558889.5196 17.1155 17.1677 PRESSURE: 4020600 -291.178 138.461 -65.7035 138.461 195.587 -149.67 -65.7049 -149.669 78.1272 GPRESSURE: 4020600 -252.311 193.936 -67.8892 88.7359 248.963 -203.69 23.8363 -121.436 75.5154 PRESSAVG: 4020600 11.9716 -36.8847 31.6721 -36.8847 19.6597 -14.1833 31.672 -14.1834 -4.27765 GPRESSAVG: 4020600 10.8264 -36.9474 31.8708 -38.132 19.7393 -16.1812 28.9636 -14.0399 -3.18002 TIMING: 4020600 CPU: 12060.3, 0.00303635/step Wall: 12060.3, 0.00303635/step, 0.826056 hours remaining, 205.742188 MB of memory in use. ENERGY: 4020600 745.6469 2043.8014 1966.2598 116.1225 -206281.1388 17925.9162 0.0000 0.0000 34511.1778 -148972.2143 301.3947 -183483.3920 -148876.0961 300.0785 -5.8216 24.0560 557876.1459 9.1179 9.1286 PRESSURE: 4020800 -155.179 57.1242 -26.5285 57.124 154.408 -35.0238 -26.5295 -35.0236 -179.132 GPRESSURE: 4020800 -41.847 99.3497 -40.6686 119.728 114.366 -106.506 -65.0424 -0.306348 -149.007 PRESSAVG: 4020800 -50.0537 -11.8314 49.0915 -11.8313 18.4325 -51.5731 49.0916 -51.5731 11.6918 GPRESSAVG: 4020800 -49.0021 -12.35 49.6889 -9.73258 17.9654 -52.3272 49.5852 -50.2551 11.3736 TIMING: 4020800 CPU: 12060.9, 0.00302081/step Wall: 12060.9, 0.00302081/step, 0.821661 hours remaining, 205.742188 MB of memory in use. ENERGY: 4020800 727.6465 2014.9375 1943.9946 111.0193 -205709.9378 17749.3899 0.0000 0.0000 34112.8016 -149050.1484 297.9156 -183162.9501 -148950.7627 299.9306 -59.9676 -25.4961 558612.7034 -6.6431 -6.5544 PRESSURE: 4021000 -66.404 -6.9886 26.5077 -6.98851 91.1548 -85.6019 26.5074 -85.6011 173.555 GPRESSURE: 4021000 -31.3306 95.4266 -30.3959 -78.0401 133.745 -90.6143 -26.4297 -86.6806 186.787 PRESSAVG: 4021000 -6.03576 -26.7816 18.5737 -26.7816 25.6502 -17.8679 18.5737 -17.8679 5.02439 GPRESSAVG: 4021000 -7.60217 -25.1487 19.2825 -28.493 26.0754 -16.5356 18.4263 -18.9106 5.62035 TIMING: 4021000 CPU: 12061.5, 0.003043/step Wall: 12061.5, 0.003043/step, 0.827527 hours remaining, 205.742188 MB of memory in use. ENERGY: 4021000 688.5571 2090.9837 1916.4991 111.5040 -205794.3297 17741.0597 0.0000 0.0000 34444.8817 -148800.8443 300.8157 -183245.7261 -148705.5542 300.0592 66.1019 96.4005 558223.8765 8.2129 8.0312 PRESSURE: 4021200 57.61 173.819 -102.954 173.819 12.7947 67.5338 -102.953 67.5359 -155.061 GPRESSURE: 4021200 129.354 231.633 -202.055 224.458 54.328 56.761 -17.4746 7.92799 -167.234 PRESSAVG: 4021200 8.03984 -2.12421 -16.1337 -2.12411 -24.0353 -33.9028 -16.1336 -33.9027 40.9855 GPRESSAVG: 4021200 9.04911 -3.21825 -15.6413 -0.842258 -24.0628 -34.4666 -15.3708 -34.2803 39.2695 TIMING: 4021200 CPU: 12062.1, 0.00308674/step Wall: 12062.1, 0.00308674/step, 0.83925 hours remaining, 205.742188 MB of memory in use. ENERGY: 4021200 756.6513 2089.7845 1941.2543 122.0753 -205537.1624 17692.4489 0.0000 0.0000 34277.8210 -148657.1271 299.3567 -182934.9481 -148558.3031 300.8995 -28.2189 5.4827 560088.3670 8.3300 8.0853 PRESSURE: 4021400 109.966 -14.4346 -28.1979 -14.4335 -176.202 63.538 -28.1966 63.5368 97.5001 GPRESSURE: 4021400 98.8656 -137.749 -60.0898 22.3454 -117.716 183.766 -28.3354 39.3097 145.724 PRESSAVG: 4021400 -3.02328 36.598 29.3377 36.5981 -2.27905 -52.3756 29.3378 -52.3756 2.77939 GPRESSAVG: 4021400 -3.67031 36.2962 28.3882 36.0181 -2.01154 -52.6865 29.5864 -51.8754 3.45012 TIMING: 4021400 CPU: 12062.7, 0.00307805/step Wall: 12062.7, 0.00307805/step, 0.836717 hours remaining, 205.742188 MB of memory in use. ENERGY: 4021400 705.2411 2042.5206 1940.1916 124.7364 -205816.2349 17895.8045 0.0000 0.0000 34422.5451 -148685.1957 300.6206 -183107.7408 -148585.4363 300.2774 10.4214 42.2914 559832.9970 -0.8410 -0.7439 PRESSURE: 4021600 65.8467 -140.26 161.33 -140.26 -265.793 -54.5436 161.33 -54.5425 -197.164 GPRESSURE: 4021600 61.8523 -90.4949 132.864 -207.834 -201.139 -47.788 207.385 -34.5349 -161.373 PRESSAVG: 4021600 -5.13809 -3.08721 -15.4035 -3.08715 -51.6414 4.6046 -15.4035 4.60467 70.9133 GPRESSAVG: 4021600 -5.05152 -2.51653 -16.3986 -4.66689 -51.9393 6.0907 -14.4228 5.71103 71.3138 TIMING: 4021600 CPU: 12063.3, 0.0030847/step Wall: 12063.3, 0.0030847/step, 0.838353 hours remaining, 205.742188 MB of memory in use. ENERGY: 4021600 739.1497 2080.5899 1908.1440 112.2473 -205619.1331 17590.5803 0.0000 0.0000 34436.6404 -148751.7815 300.7437 -183188.4219 -148651.7826 301.2223 -132.3701 -100.2197 558402.0848 4.7113 4.7743 PRESSURE: 4021800 153.392 -30.2483 -80.442 -30.2489 -1.81168 191.466 -80.4429 191.466 26.7966 GPRESSURE: 4021800 220.199 8.54217 -56.461 108.768 10.5356 252.973 -89.82 192.192 41.4614 PRESSAVG: 4021800 59.2844 46.7948 -5.39934 46.7949 -50.5101 14.6833 -5.39927 14.6833 -39.6327 GPRESSAVG: 4021800 60.0911 48.6326 -6.02623 49.521 -51.029 13.5069 -4.23686 14.1319 -39.9353 TIMING: 4021800 CPU: 12063.9, 0.00307768/step Wall: 12063.9, 0.00307768/step, 0.836274 hours remaining, 205.742188 MB of memory in use. ENERGY: 4021800 719.4193 2108.9902 1926.3553 98.2570 -205718.3923 17763.4008 0.0000 0.0000 34500.7836 -148601.1861 301.3039 -183101.9697 -148505.6385 300.7303 59.4589 90.7319 558445.7773 -10.2861 -10.2911 PRESSURE: 4022000 220.86 -38.3113 56.2019 -38.3112 79.1495 98.2335 56.2012 98.2369 44.4819 GPRESSURE: 4022000 185.842 -19.7885 126.692 -6.07657 110.759 19.7482 76.7151 97.8676 144.91 PRESSAVG: 4022000 35.9476 -5.67498 7.64887 -5.67503 54.9294 33.7461 7.64881 33.7461 -52.187 GPRESSAVG: 4022000 34.7959 -7.13188 8.61872 -6.40099 55.3463 33.6035 7.40532 33.4418 -51.5885 TIMING: 4022000 CPU: 12064.5, 0.00305902/step Wall: 12064.5, 0.00305902/step, 0.831035 hours remaining, 205.742188 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: 4022000 698.8655 2065.8939 1932.2360 118.8891 -205581.4560 17750.7733 0.0000 0.0000 34536.5799 -148478.2183 301.6165 -183014.7982 -148377.5468 301.5625 114.8306 147.1703 558213.8018 12.8967 12.8512 PRESSURE: 4022200 -142.658 6.71034 149.724 6.71024 -95.7263 154.834 149.724 154.835 120.885 GPRESSURE: 4022200 -62.0018 51.2372 106.641 -21.7978 -106.651 255.112 162.905 36.137 154.988 PRESSAVG: 4022200 3.46896 18.594 40.1307 18.5941 -21.1912 -1.64825 40.1305 -1.6481 -24.9586 GPRESSAVG: 4022200 3.77708 17.143 38.5337 19.0563 -20.6986 1.3227 41.6719 -2.92323 -24.996 TIMING: 4022200 CPU: 12065.2, 0.00304807/step Wall: 12065.2, 0.00304807/step, 0.827891 hours remaining, 205.742188 MB of memory in use. ENERGY: 4022200 743.0877 2102.2187 1922.1034 111.7433 -205413.6491 17604.8017 0.0000 0.0000 34429.0124 -148500.6818 300.6771 -182929.6942 -148410.0509 301.2193 -39.1665 -4.5547 559250.4025 -14.2269 -13.9725 PRESSURE: 4022400 -110.889 35.6359 77.3489 35.6367 50.9786 107.845 77.3472 107.844 177.601 GPRESSURE: 4022400 -57.2953 103.657 95.243 -19.4178 55.9281 146.636 -33.5119 57.6639 228.512 PRESSAVG: 4022400 -61.3679 -24.8895 -11.0975 -24.8894 34.8002 20.9482 -11.0975 20.9482 27.062 GPRESSAVG: 4022400 -61.186 -23.4894 -9.8687 -27.4736 34.6387 19.9154 -13.1206 22.5923 27.5504 TIMING: 4022400 CPU: 12065.8, 0.0030742/step Wall: 12065.8, 0.0030742/step, 0.834815 hours remaining, 205.742188 MB of memory in use. ENERGY: 4022400 734.3403 2093.2428 1923.7019 109.2872 -205649.3713 17786.1264 0.0000 0.0000 34412.9788 -148589.6939 300.5371 -183002.6727 -148492.2877 300.9308 39.2302 75.7150 558685.1732 0.1648 0.3344 PRESSURE: 4022600 -198.031 46.1452 -161.83 46.1436 0.167468 -40.2495 -161.829 -40.2482 28.2686 GPRESSURE: 4022600 -149.883 38.7861 -78.4702 24.6853 24.9858 -1.54257 -165.595 -49.5351 43.3281 PRESSAVG: 4022600 -21.1035 2.79939 -5.72459 2.79943 -16.9594 8.39208 -5.72454 8.39205 25.119 GPRESSAVG: 4022600 -21.1792 2.95176 -6.47457 4.47009 -17.995 5.91314 -6.73727 8.48049 25.5498 TIMING: 4022600 CPU: 12066.4, 0.0030683/step Wall: 12066.4, 0.0030683/step, 0.833044 hours remaining, 205.945312 MB of memory in use. ENERGY: 4022600 750.6722 2039.5094 1933.6382 112.0973 -205503.3781 17628.3924 0.0000 0.0000 34308.4158 -148730.6529 299.6239 -183039.0687 -148628.6896 301.0501 -56.5316 -27.1895 557894.6465 -4.3146 -4.5415 PRESSURE: 4022800 242.281 -56.2787 -120.514 -56.2791 90.9576 -2.69767 -120.515 -2.69693 -100.03 GPRESSURE: 4022800 240.19 -18.8881 -42.7478 -111.867 90.396 -55.5461 -196.111 62.6493 -4.83743 PRESSAVG: 4022800 -30.2936 -47.7654 2.1092 -47.7655 0.370526 -18.4065 2.10929 -18.4065 56.8281 GPRESSAVG: 4022800 -30.4326 -48.765 4.71307 -48.0633 1.24272 -16.091 1.75232 -18.545 55.8105 TIMING: 4022800 CPU: 12067, 0.00305559/step Wall: 12067, 0.00305559/step, 0.829422 hours remaining, 205.945312 MB of memory in use. ENERGY: 4022800 734.6775 2139.9292 1944.2467 118.0409 -205985.9268 17859.4093 0.0000 0.0000 34337.6507 -148851.9725 299.8792 -183189.6232 -148756.2802 300.4106 77.7364 108.5829 557752.7635 8.9683 8.8735 PRESSURE: 4023000 -115.598 -66.107 195.44 -66.1074 -152.208 57.4522 195.438 57.4523 -16.0099 GPRESSURE: 4023000 -86.5667 24.9418 121.988 -111.826 -74.2455 93.4133 183.125 60.3498 -29.9967 PRESSAVG: 4023000 -0.0944884 -25.5674 2.51377 -25.5673 21.7858 -13.7635 2.51381 -13.7635 19.5615 GPRESSAVG: 4023000 0.558131 -25.5235 1.5498 -24.9866 21.868 -15.3155 3.9915 -14.0746 19.275 TIMING: 4023000 CPU: 12067.6, 0.00307076/step Wall: 12067.6, 0.00307076/step, 0.833371 hours remaining, 205.945312 MB of memory in use. ENERGY: 4023000 747.3740 2108.1071 1947.7826 103.5251 -205640.1577 17563.4811 0.0000 0.0000 34337.1036 -148832.7843 299.8745 -183169.8880 -148739.1966 300.2724 -94.6051 -63.6030 559274.6757 13.7510 13.9004 PRESSURE: 4023200 56.323 25.1821 -21.9227 25.1822 3.4819 -117.137 -21.9222 -117.136 -119.05 GPRESSURE: 4023200 122.385 129.471 103.754 -43.7012 27.6809 -109.736 -155.709 -116.069 -124.127 PRESSAVG: 4023200 -18.5472 8.38498 3.90787 8.385 98.3236 -64.9858 3.90784 -64.9858 -46.6632 GPRESSAVG: 4023200 -18.2111 9.50961 1.52623 6.17048 97.6821 -62.8467 2.81772 -66.8157 -46.7083 TIMING: 4023200 CPU: 12068.2, 0.0030624/step Wall: 12068.2, 0.0030624/step, 0.830932 hours remaining, 205.945312 MB of memory in use. ENERGY: 4023200 737.1383 2099.1945 1952.1216 113.6900 -206137.4511 17915.5642 0.0000 0.0000 34516.6920 -148803.0506 301.4429 -183319.7426 -148705.5203 300.0198 -19.7484 8.6463 559789.3559 11.0377 10.9209 PRESSURE: 4023400 -54.1831 34.7959 -9.68246 34.7971 188.139 -62.8481 -9.68198 -62.8476 -219.365 GPRESSURE: 4023400 -85.7409 111.051 -7.45463 -65.5625 254.949 -71.3193 -7.98017 -17.9082 -162.656 PRESSAVG: 4023400 -2.07912 2.37486 -41.2814 2.37479 88.1678 -7.01062 -41.2814 -7.01075 -59.7698 GPRESSAVG: 4023400 -3.07655 -0.301063 -42.0414 3.95096 88.5479 -9.01812 -39.268 -6.29592 -59.4574 TIMING: 4023400 CPU: 12068.8, 0.00306873/step Wall: 12068.8, 0.00306873/step, 0.832478 hours remaining, 205.945312 MB of memory in use. ENERGY: 4023400 753.6800 2129.3386 1954.8362 126.1799 -206065.0246 17804.2334 0.0000 0.0000 34404.7697 -148891.9867 300.4654 -183296.7564 -148791.9343 300.5346 -28.4699 2.1839 559581.3428 8.7730 8.6713 PRESSURE: 4023600 22.8933 -113.006 26.7814 -113.006 -109.122 140.746 26.7813 140.746 -216.765 GPRESSURE: 4023600 92.364 -123.115 107.033 -144.172 -159.085 153.707 54.3211 24.2119 -140.829 PRESSAVG: 4023600 -54.3978 -0.947564 41.2422 -0.947568 58.2168 -13.1464 41.2422 -13.1464 -5.07549 GPRESSAVG: 4023600 -54.6209 0.413507 41.9155 -1.03934 57.9722 -12.2674 40.4978 -11.278 -3.96186 TIMING: 4023600 CPU: 12069.5, 0.00307393/step Wall: 12069.5, 0.00307393/step, 0.833717 hours remaining, 205.945312 MB of memory in use. ENERGY: 4023600 733.5824 2075.8626 1953.2305 118.2763 -206192.1783 17862.1597 0.0000 0.0000 34407.0777 -149041.9891 300.4856 -183449.0668 -148943.5956 300.0194 -100.9980 -69.1833 559191.0632 -0.4188 -0.2035 PRESSURE: 4023800 119.687 243.455 -36.294 243.457 106.81 -262.888 -36.294 -262.889 134.438 GPRESSURE: 4023800 143.292 189.703 21.7153 181.951 174.846 -288.372 -29.3194 -229.618 146.171 PRESSAVG: 4023800 -34.4783 -59.3937 -3.53631 -59.3937 77.8558 -16.5627 -3.53626 -16.5626 -39.1226 GPRESSAVG: 4023800 -34.3226 -59.1048 -3.067 -60.9333 78.7466 -17.3579 -2.65949 -16.8611 -39.8315 TIMING: 4023800 CPU: 12070.1, 0.00310414/step Wall: 12070.1, 0.00310414/step, 0.841738 hours remaining, 205.945312 MB of memory in use. ENERGY: 4023800 767.2934 2013.2060 1927.3286 102.4326 -206420.2213 18072.9358 0.0000 0.0000 34472.2794 -149064.7455 301.0550 -183537.0249 -148974.0750 299.5161 120.3118 154.7696 557181.9530 1.4183 1.5308 PRESSURE: 4024000 -97.974 149.43 -164.059 149.43 70.1942 -91.2762 -164.06 -91.276 21.575 GPRESSURE: 4024000 -18.9023 146.435 -181.656 214.906 83.6161 -18.0405 -168.73 -77.7135 16.6849 PRESSAVG: 4024000 -102.553 -13.7778 -50.4842 -13.7778 56.7962 -1.72578 -50.4842 -1.72582 41.4974 GPRESSAVG: 4024000 -103.067 -12.3429 -50.4535 -13.9996 55.897 -0.889853 -50.9397 -2.69958 42.581 TIMING: 4024000 CPU: 12070.7, 0.00312218/step Wall: 12070.7, 0.00312218/step, 0.846457 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: 4024000 759.6827 2063.2229 1950.8653 127.3737 -205950.8785 17843.1391 0.0000 0.0000 34225.4016 -148981.1931 298.8989 -183206.5947 -148885.4599 299.7715 -2.0683 27.1329 557854.2588 -1.4198 -1.5295 PRESSURE: 4024200 -341.914 114.554 -107.786 114.553 -51.6839 176.237 -107.786 176.237 -44.1467 GPRESSURE: 4024200 -277.197 89.6423 -42.2534 40.3554 -46.5383 224.445 -127.304 186.515 -16.4236 PRESSAVG: 4024200 -4.71062 17.1423 -65.2262 17.1422 92.2331 29.6934 -65.2262 29.6934 -72.3826 GPRESSAVG: 4024200 -3.3873 14.7193 -63.5766 19.0852 91.2288 30.1596 -66.3185 27.989 -73.3676 TIMING: 4024200 CPU: 12071.3, 0.00309032/step Wall: 12071.3, 0.00309032/step, 0.837648 hours remaining, 205.945312 MB of memory in use. ENERGY: 4024200 742.1649 2096.5910 1931.8233 124.3248 -205859.3784 17643.5335 0.0000 0.0000 34334.3907 -148986.5502 299.8508 -183320.9409 -148888.7306 299.6313 -145.9149 -113.3863 558351.8426 5.0466 4.8246 LDB: ============= START OF LOAD BALANCING ============== 12074.8 LDB: ============== END OF LOAD BALANCING =============== 12074.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12074.8 LDB: ============= START OF LOAD BALANCING ============== 12075.1 LDB: Largest compute 4822 load 0.024803 is 21.0% of average load 0.118152 LDB: Average compute 0.001732 is 1.5% of average load 0.118152 LDB: TIME 12075.1 LOAD: AVG 0.118152 MAX 0.218209 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.77 MB LDB: TIME 12075.1 LOAD: AVG 0.118152 MAX 0.218209 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.012 MB LDB: TIME 12075.1 LOAD: AVG 0.118152 MAX 0.218209 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.012 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12075.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12075.1 PRESSURE: 4024400 -19.8546 45.7781 -81.9436 45.7786 -34.7552 112.694 -81.944 112.694 -461.794 GPRESSURE: 4024400 4.04749 -35.4987 -18.1048 80.5816 -0.36919 23.5053 -87.6897 175.1 -432.176 PRESSAVG: 4024400 20.8241 -25.0713 -2.90832 -25.0713 43.556 18.1178 -2.90837 18.1179 -11.2541 GPRESSAVG: 4024400 19.6219 -20.8334 -4.98388 -26.5741 43.0365 20.2681 -3.21953 18.7851 -9.58155 TIMING: 4024400 CPU: 12071.9, 0.00312692/step Wall: 12071.9, 0.00312692/step, 0.847395 hours remaining, 206.085938 MB of memory in use. ENERGY: 4024400 707.8265 2076.1705 1934.8564 125.0975 -205911.2236 17543.2263 0.0000 0.0000 34466.9064 -149057.1400 301.0081 -183524.0464 -148970.9084 300.5449 -172.1347 -142.8324 559461.2541 17.7086 17.6923 PRESSURE: 4024600 -54.3737 -90.9372 -22.2572 -90.9371 -78.3073 -15.2833 -22.258 -15.284 -42.6058 GPRESSURE: 4024600 6.22249 -76.5397 63.2995 -78.2997 -32.2925 -15.0334 -42.9381 4.71886 -57.1876 PRESSAVG: 4024600 59.8019 -40.7518 8.44472 -40.7518 -0.993729 -1.52994 8.4447 -1.53001 -21.4844 GPRESSAVG: 4024600 59.8 -43.2637 9.7935 -39.8917 -0.0175663 -1.18533 10.8187 -2.24188 -22.1523 TIMING: 4024600 CPU: 12072.6, 0.00306945/step Wall: 12072.6, 0.00306945/step, 0.83165 hours remaining, 206.085938 MB of memory in use. ENERGY: 4024600 735.6933 2149.9552 1924.5651 108.6203 -205703.1681 17620.2132 0.0000 0.0000 34026.9345 -149137.1864 297.1657 -183164.1209 -149045.0996 299.6677 -58.4290 -27.7526 557778.0165 12.4413 12.5434 PRESSURE: 4024800 200.461 20.4471 -15.1469 20.4472 -103.329 -135.486 -15.1465 -135.488 171.79 GPRESSURE: 4024800 215.056 -27.3835 -7.36283 47.467 -39.0894 -150.53 15.6034 -89.8172 175.608 PRESSAVG: 4024800 -10.6506 -53.9363 -0.813656 -53.9362 9.81445 -30.3434 -0.81359 -30.3433 -26.3916 GPRESSAVG: 4024800 -11.2531 -54.5195 -1.26921 -53.5437 12.0678 -32.1508 -1.79259 -28.0423 -27.558 TIMING: 4024800 CPU: 12073.2, 0.0030549/step Wall: 12073.2, 0.0030549/step, 0.827537 hours remaining, 206.085938 MB of memory in use. ENERGY: 4024800 750.5424 2117.7379 1900.5934 119.9612 -206252.3042 17948.7138 0.0000 0.0000 34335.2538 -149079.5017 299.8583 -183414.7556 -148984.0371 298.4982 89.6406 117.1917 557439.8123 -9.0759 -8.9144 PRESSURE: 4025000 -101.328 10.2819 -120.368 10.2839 -145.962 39.1807 -120.368 39.1799 -68.2539 GPRESSURE: 4025000 -104.125 -14.4141 -187.696 107.907 -43.1759 15.4517 -56.2909 -20.6252 -50.2249 PRESSAVG: 4025000 -27.5456 -20.5205 40.8874 -20.5204 11.2415 21.2043 40.8874 21.2044 22.3061 GPRESSAVG: 4025000 -27.0186 -21.7853 39.0026 -20.898 9.1427 19.2619 40.9516 22.1277 24.0716 TIMING: 4025000 CPU: 12073.8, 0.00304203/step Wall: 12073.8, 0.00304203/step, 0.823882 hours remaining, 206.085938 MB of memory in use. ENERGY: 4025000 766.3013 2115.3979 1941.3187 115.1524 -205876.3738 17757.3037 0.0000 0.0000 34208.6915 -148972.2082 298.7530 -183180.8997 -148874.3912 299.8608 -105.1813 -65.8419 557818.3875 2.0007 2.0652 PRESSURE: 4025200 34.5932 78.1259 -161.669 78.1257 100.944 3.95865 -161.67 3.95776 100.256 GPRESSURE: 4025200 -1.34869 84.8893 -162.122 84.0911 201.232 -14.5496 -235.296 -45.75 128.1 PRESSAVG: 4025200 5.96061 -8.0877 -7.40012 -8.08768 10.8829 7.31208 -7.40015 7.31208 -13.8327 GPRESSAVG: 4025200 6.274 -6.01413 -5.65974 -9.84499 9.97316 9.66681 -7.03429 6.95935 -13.7817 TIMING: 4025200 CPU: 12074.4, 0.00304693/step Wall: 12074.4, 0.00304693/step, 0.82504 hours remaining, 206.085938 MB of memory in use. ENERGY: 4025200 749.5288 2102.2428 1940.6389 120.8545 -206130.4809 17999.3530 0.0000 0.0000 34299.6176 -148918.2455 299.5471 -183217.8631 -148821.4696 300.2442 78.5978 109.3278 558389.2562 1.0036 0.8218 PRESSURE: 4025400 -32.5533 41.8057 -96.2463 41.8058 25.1151 -26.4275 -96.2458 -26.4286 -107.876 GPRESSURE: 4025400 -25.0426 21.4662 -111.35 46.0906 99.4092 -53.3383 -107.213 5.54476 -77.4049 PRESSAVG: 4025400 6.99644 6.02709 -29.4079 6.0271 -44.3714 10.9703 -29.4079 10.9704 1.31057 GPRESSAVG: 4025400 6.81912 4.78634 -28.7133 8.28544 -43.7986 9.16788 -32.456 11.6046 1.25445 TIMING: 4025400 CPU: 12075, 0.00303491/step Wall: 12075, 0.0030349/step, 0.821616 hours remaining, 206.085938 MB of memory in use. ENERGY: 4025400 775.4660 2132.1183 1961.2943 112.9383 -206245.9040 17985.0190 0.0000 0.0000 34222.0152 -149057.0529 298.8694 -183279.0681 -148962.6561 299.6681 -38.4381 -1.0128 557651.9386 -12.0215 -11.9084 PRESSURE: 4025600 -11.3149 -20.8892 -185.817 -20.8903 -12.558 17.6702 -185.818 17.6712 -6.22941 GPRESSURE: 4025600 60.6896 -89.0015 -295.604 39.4788 12.6739 3.43666 -40.0912 -16.1007 1.22539 PRESSAVG: 4025600 1.53458 -62.1809 -37.5537 -62.1809 32.6548 -53.6241 -37.5537 -53.624 -0.55933 GPRESSAVG: 4025600 2.89076 -61.2486 -38.4439 -62.9146 31.7492 -53.0358 -33.9003 -51.878 -1.12319 TIMING: 4025600 CPU: 12075.6, 0.00301999/step Wall: 12075.6, 0.00301999/step, 0.81741 hours remaining, 206.085938 MB of memory in use. ENERGY: 4025600 746.7056 2104.7018 1936.0345 108.4829 -205706.9430 17699.8658 0.0000 0.0000 34158.1521 -148953.0002 298.3116 -183111.1523 -148855.6069 299.4620 -10.0341 24.8630 556784.3995 11.2100 11.1723 PRESSURE: 4025800 19.9618 -57.3655 -81.5655 -57.3657 66.6961 57.112 -81.566 57.1134 143.216 GPRESSURE: 4025800 24.7305 -54.3129 -69.5572 -87.9971 68.4373 68.2412 -95.1939 17.4074 230.7 PRESSAVG: 4025800 -23.4126 -3.97375 -51.2691 -3.97375 -40.0621 -10.5101 -51.2692 -10.51 40.3268 GPRESSAVG: 4025800 -24.1208 -4.4565 -49.6593 -2.77883 -39.6839 -9.51789 -53.7342 -12.9659 40.109 TIMING: 4025800 CPU: 12076.2, 0.0030514/step Wall: 12076.2, 0.0030514/step, 0.825742 hours remaining, 206.085938 MB of memory in use. ENERGY: 4025800 763.1819 2115.5960 1943.7950 107.6436 -206497.8832 17961.9801 0.0000 0.0000 34480.2665 -149125.4201 301.1247 -183605.6867 -149028.2161 299.8933 76.6245 107.9559 556602.9132 -7.7160 -7.8986 PRESSURE: 4026000 203.496 144.465 -61.0027 144.466 -207.311 5.75561 -61.0022 5.75489 50.9681 GPRESSURE: 4026000 207.956 96.0592 -16.9613 170.617 -149.808 46.1418 -40.5915 17.5571 95.8999 PRESSAVG: 4026000 -3.37567 -16.1246 -112.724 -16.1247 -42.0184 -5.91541 -112.725 -5.91529 23.7157 GPRESSAVG: 4026000 -4.62086 -15.6198 -113.718 -16.9705 -41.8284 -6.43598 -111.508 -6.52668 24.1507 TIMING: 4026000 CPU: 12076.8, 0.00306304/step Wall: 12076.8, 0.00306304/step, 0.828721 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: 4026000 742.8731 2118.2544 1947.8777 111.9560 -206147.4334 17877.3875 0.0000 0.0000 34146.6409 -149202.4438 298.2111 -183349.0847 -149109.7645 299.6797 15.7177 51.3494 557883.0225 -7.2261 -7.4329 PRESSURE: 4026200 -227.815 -38.0308 -224.317 -38.0302 -118.632 -108.428 -224.319 -108.428 -298.321 GPRESSURE: 4026200 -173.302 -54.5729 -207.514 3.15872 -112.327 -99.0311 -207.645 -46.7404 -254.929 PRESSAVG: 4026200 -1.00137 33.5988 -78.9569 33.5987 -32.4941 -13.9931 -78.9568 -13.9931 -16.9563 GPRESSAVG: 4026200 -0.476552 32.1694 -76.1139 33.9871 -32.373 -13.8169 -81.3136 -12.9004 -17.913 TIMING: 4026200 CPU: 12077.4, 0.00307407/step Wall: 12077.4, 0.00307407/step, 0.831536 hours remaining, 206.085938 MB of memory in use. ENERGY: 4026200 754.9182 2113.6528 1952.2543 115.6727 -205783.5643 17421.9291 0.0000 0.0000 34222.7369 -149202.4003 298.8757 -183425.1372 -149109.0363 298.9015 -214.9227 -180.1859 556822.3521 -16.8173 -16.9208 PRESSURE: 4026400 -218.791 101.784 86.8925 101.784 -227.194 84.9618 86.8918 84.9621 -12.0708 GPRESSURE: 4026400 -145.547 85.4871 128.59 104.086 -241.962 71.7957 12.76 -9.9042 27.0266 PRESSAVG: 4026400 7.41778 -16.6481 -26.5962 -16.6481 7.97153 -28.6696 -26.5963 -28.6695 32.5993 GPRESSAVG: 4026400 7.49168 -17.1214 -29.0522 -17.4577 8.69321 -29.2481 -25.9197 -28.8192 32.0804 TIMING: 4026400 CPU: 12078, 0.00307034/step Wall: 12078, 0.00307034/step, 0.830356 hours remaining, 206.085938 MB of memory in use. ENERGY: 4026400 728.0473 2079.3947 1918.3410 115.4693 -206007.1267 17591.9387 0.0000 0.0000 34238.7490 -149335.1867 299.0155 -183573.9357 -149239.4425 299.0868 -152.6852 -120.1608 556747.3206 15.9962 16.0884 PRESSURE: 4026600 149.687 138.958 -21.1789 138.957 -13.5218 -107.865 -21.1796 -107.867 -98.6794 GPRESSURE: 4026600 175.049 69.8603 24.343 127.45 11.8241 -143.528 -4.60485 -73.0482 -65.6037 PRESSAVG: 4026600 -2.63039 -18.0324 -46.6033 -18.0324 -41.6488 -5.95083 -46.6034 -5.95093 -5.35358 GPRESSAVG: 4026600 -3.89433 -16.2488 -46.4777 -18.2275 -41.6298 -5.79234 -45.6099 -4.22518 -4.07217 TIMING: 4026600 CPU: 12078.7, 0.00304826/step Wall: 12078.7, 0.00304826/step, 0.824216 hours remaining, 206.085938 MB of memory in use. ENERGY: 4026600 744.9134 2118.4690 1927.8521 110.7624 -206051.9643 17748.7517 0.0000 0.0000 34120.9244 -149280.2914 297.9865 -183401.2158 -149183.7201 298.4558 12.4953 40.4233 557563.0504 -16.5443 -16.5321 PRESSURE: 4026800 -39.0089 -25.894 36.3895 -25.8936 122.247 -86.8719 36.3888 -86.8718 -439.152 GPRESSURE: 4026800 -34.9931 46.0768 -28.9867 1.58243 146.651 -10.4466 -0.485813 -133.497 -362.384 PRESSAVG: 4026800 2.21702 -15.3073 -43.1867 -15.3072 1.33277 -26.1342 -43.1866 -26.1341 -27.5092 GPRESSAVG: 4026800 2.55535 -17.3647 -43.218 -14.137 1.00629 -24.0558 -43.706 -27.9501 -27.4179 TIMING: 4026800 CPU: 12079.3, 0.00305612/step Wall: 12079.3, 0.00305612/step, 0.826171 hours remaining, 206.085938 MB of memory in use. ENERGY: 4026800 741.0399 2142.0036 1937.0621 119.1136 -206090.4677 17676.3721 0.0000 0.0000 34249.7398 -149225.1366 299.1115 -183474.8764 -149133.1993 299.3033 -118.6380 -83.5753 558156.9374 -7.9865 -7.9521 PRESSURE: 4027000 106.69 -20.8645 133.414 -20.8636 184.209 -168.589 133.414 -168.589 -269.61 GPRESSURE: 4027000 140.671 36.092 16.8485 -51.147 203.807 -198.621 211.318 -145.14 -234.643 PRESSAVG: 4027000 -19.4855 -76.4722 -27.1138 -76.4722 57.086 -39.301 -27.1137 -39.301 -25.8645 GPRESSAVG: 4027000 -18.4291 -77.9664 -31.1624 -75.624 56.5609 -41.5771 -25.886 -37.3728 -26.8549 TIMING: 4027000 CPU: 12079.9, 0.00306366/step Wall: 12079.9, 0.00306366/step, 0.82804 hours remaining, 206.085938 MB of memory in use. ENERGY: 4027000 751.4299 2089.1139 1940.1053 118.1647 -205989.9575 17696.3462 0.0000 0.0000 34219.2975 -149175.5000 298.8456 -183394.7975 -149076.3773 299.1664 7.0959 36.6115 557838.3387 3.9120 3.7590 PRESSURE: 4027200 -27.3794 -112.982 58.1082 -112.982 52.1194 -11.9022 58.1082 -11.9029 75.4833 GPRESSURE: 4027200 36.7903 -169.883 31.3278 -92.6719 60.9254 -29.763 60.4782 -34.2183 101.88 PRESSAVG: 4027200 65.5403 -81.8249 51.6914 -81.825 -29.1336 52.981 51.6914 52.9809 -9.62434 GPRESSAVG: 4027200 65.0263 -79.9195 55.4595 -82.5784 -30.5251 52.2582 49.5972 52.1088 -8.08834 TIMING: 4027200 CPU: 12080.5, 0.00303996/step Wall: 12080.5, 0.00303996/step, 0.821464 hours remaining, 206.085938 MB of memory in use. ENERGY: 4027200 782.8266 2085.9185 1952.5912 122.2642 -206381.7028 17901.0395 0.0000 0.0000 34191.7293 -149345.3334 298.6049 -183537.0628 -149246.6255 299.0215 33.4077 66.5319 556257.0041 8.9275 8.8043 PRESSURE: 4027400 83.463 20.7358 79.5197 20.7355 28.303 -298.989 79.5196 -298.989 54.3742 GPRESSURE: 4027400 81.3591 122.841 95.2018 -27.6982 63.4671 -292.905 116.449 -246.721 133.163 PRESSAVG: 4027400 15.4852 -5.40128 19.5802 -5.40126 17.4577 49.8885 19.5802 49.8884 -9.12049 GPRESSAVG: 4027400 15.5085 -6.30747 19.1122 -5.1895 17.7919 51.1246 21.4311 49.6744 -9.04125 TIMING: 4027400 CPU: 12081.1, 0.00301834/step Wall: 12081.1, 0.00301834/step, 0.815456 hours remaining, 206.085938 MB of memory in use. ENERGY: 4027400 725.4044 2046.1675 1934.7991 114.7948 -206289.8941 17746.9073 0.0000 0.0000 34275.0049 -149446.8162 299.3321 -183721.8210 -149351.8969 298.5855 55.3800 92.6629 555919.5945 7.9408 8.0864 PRESSURE: 4027600 122.724 -11.6009 46.59 -11.6016 -58.6898 -42.8059 46.5898 -42.8058 -144.151 GPRESSURE: 4027600 158.132 24.9967 57.928 -76.0755 -85.4144 -24.8271 34.147 -43.8256 -62.9232 PRESSAVG: 4027600 -13.6695 7.40949 35.736 7.40949 23.6882 14.3229 35.736 14.3228 -4.64099 GPRESSAVG: 4027600 -14.0187 9.41576 36.6042 5.51649 24.502 14.738 34.3654 12.9145 -5.79046 TIMING: 4027600 CPU: 12081.7, 0.00305486/step Wall: 12081.7, 0.00305486/step, 0.825153 hours remaining, 206.085938 MB of memory in use. ENERGY: 4027600 769.1301 2085.8543 1926.0059 109.4575 -206338.3532 17690.9177 0.0000 0.0000 34328.3772 -149428.6105 299.7983 -183756.9876 -149332.0310 298.7836 -26.7055 3.2648 557019.1991 1.7926 1.5643 PRESSURE: 4027800 -117.541 45.2783 114.621 45.2776 -9.46692 -16.8963 114.62 -16.8963 230.041 GPRESSURE: 4027800 -34.479 54.1867 223.424 -40.9798 19.8848 -92.756 157.956 -5.61057 213.905 PRESSAVG: 4027800 -28.3521 -21.5537 -14.1577 -21.5537 21.912 -34.7001 -14.1579 -34.7 -20.3339 GPRESSAVG: 4027800 -27.5257 -22.0974 -13.8442 -21.5645 21.2097 -36.6152 -13.2841 -35.1816 -21.1676 TIMING: 4027800 CPU: 12082.3, 0.00306386/step Wall: 12082.3, 0.00306386/step, 0.827413 hours remaining, 206.085938 MB of memory in use. ENERGY: 4027800 745.7174 2033.2172 1931.1081 126.6021 -206087.9019 17751.7377 0.0000 0.0000 34096.0147 -149403.5047 297.7690 -183499.5194 -149306.2331 298.2082 34.3443 66.4370 558450.3672 -8.9247 -9.1612 PRESSURE: 4028000 -77.2402 -87.2708 -102.707 -87.2706 -69.5812 -85.5624 -102.708 -85.561 10.7957 GPRESSURE: 4028000 -53.9007 -78.219 -132.322 -115.981 -18.1194 -30.9535 -123.352 -140.096 35.8596 PRESSAVG: 4028000 18.034 18.2141 -31.7597 18.2141 -62.5784 5.81192 -31.7597 5.81202 43.0401 GPRESSAVG: 4028000 16.2502 19.1668 -32.5466 18.5606 -61.5592 7.69176 -31.1103 9.44567 43.5574 TIMING: 4028000 CPU: 12082.9, 0.00306079/step Wall: 12082.9, 0.00306079/step, 0.826414 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: 4028000 768.0589 2066.9052 1898.8517 111.8851 -206069.4254 17682.6939 0.0000 0.0000 33989.7121 -149551.3185 296.8406 -183541.0306 -149460.7520 298.1005 -45.3419 -12.0535 556169.9060 -0.5015 -0.5839 PRESSURE: 4028200 -2.55663 27.2326 -29.4424 27.2327 -167.523 -75.0302 -29.4413 -75.0317 -373.556 GPRESSURE: 4028200 -18.0358 116.764 -50.1341 25.5608 -83.1117 -85.2572 20.6525 -66.2743 -347.602 PRESSAVG: 4028200 41.1801 -31.3571 -2.35013 -31.357 -23.5253 -4.02307 -2.35016 -4.023 -24.3979 GPRESSAVG: 4028200 42.2911 -33.1856 -2.84807 -31.7711 -24.5572 -5.50238 -4.23602 -5.20393 -24.31 TIMING: 4028200 CPU: 12083.5, 0.00303875/step Wall: 12083.5, 0.00303875/step, 0.820295 hours remaining, 206.085938 MB of memory in use. ENERGY: 4028200 748.6446 2142.6321 1963.1406 90.2894 -206005.5620 17437.1581 0.0000 0.0000 34152.7050 -149470.9920 298.2641 -183623.6970 -149367.3756 297.8023 -181.2117 -149.5831 558863.0491 -2.2477 -2.1920 LDB: ============= START OF LOAD BALANCING ============== 12087 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12087 LDB: =============== DONE WITH MIGRATION ================ 12087 LDB: ============= START OF LOAD BALANCING ============== 12087.3 LDB: Largest compute 4822 load 0.025134 is 21.3% of average load 0.118043 LDB: Average compute 0.001730 is 1.5% of average load 0.118043 LDB: TIME 12087.3 LOAD: AVG 0.118043 MAX 0.217868 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 205.73 MB LDB: TIME 12087.3 LOAD: AVG 0.118043 MAX 0.217868 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.938 MB LDB: TIME 12087.3 LOAD: AVG 0.118043 MAX 0.217868 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 205.938 MB LDB: ============== END OF LOAD BALANCING =============== 12087.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12087.3 PRESSURE: 4028400 -94.4466 -232.005 36.4749 -232.004 -45.5231 43.0827 36.4749 43.0817 -185.04 GPRESSURE: 4028400 -82.1425 -243.029 8.13873 -157.73 -11.3006 102.823 59.3679 -1.82886 -139.617 PRESSAVG: 4028400 -20.5582 -10.3658 -23.3494 -10.3658 7.7301 -52.7693 -23.3493 -52.7693 30.7115 GPRESSAVG: 4028400 -21.0922 -10.8563 -21.6924 -7.5764 7.42495 -49.1012 -24.3101 -53.6993 31.1303 TIMING: 4028400 CPU: 12084.2, 0.00310242/step Wall: 12084.2, 0.00310242/step, 0.837309 hours remaining, 207.332031 MB of memory in use. ENERGY: 4028400 763.4502 2056.3952 1951.0447 117.0543 -206398.7622 17801.3825 0.0000 0.0000 34361.0349 -149348.4003 300.0835 -183709.4352 -149252.5212 298.4322 -108.3365 -77.6867 558182.0145 5.9612 5.8210 PRESSURE: 4028600 -270.564 45.4424 66.1817 45.4425 -320.178 -92.7009 66.1818 -92.6999 -221.447 GPRESSURE: 4028600 -200.211 2.36189 78.4399 113.717 -271.395 -93.5232 79.3733 -114.152 -247.319 PRESSAVG: 4028600 -7.52473 -83.2445 43.09 -83.2444 -8.58958 -29.313 43.09 -29.3131 -20.2152 GPRESSAVG: 4028600 -7.56889 -82.831 41.5883 -84.857 -9.15057 -32.041 44.497 -26.4924 -19.6649 TIMING: 4028600 CPU: 12084.8, 0.00302968/step Wall: 12084.8, 0.00302968/step, 0.817509 hours remaining, 207.531250 MB of memory in use. ENERGY: 4028600 803.5996 2100.5186 1950.4898 123.0993 -206222.9310 17605.1011 0.0000 0.0000 34238.3204 -149401.8022 299.0118 -183640.1226 -149316.7477 298.7177 -270.7300 -239.6417 558173.3437 -12.1098 -12.1281 PRESSURE: 4028800 -127.384 -54.7901 206.992 -54.7906 -66.7902 -27.3918 206.992 -27.3924 -106.071 GPRESSURE: 4028800 -108.386 15.8843 241.952 -97.0054 -45.1531 -127.139 128.435 29.8844 -49.3804 PRESSAVG: 4028800 -68.2325 -37.7819 63.2217 -37.7819 -3.30205 -4.35773 63.2217 -4.35755 29.3423 GPRESSAVG: 4028800 -67.8964 -37.4588 62.8427 -37.7716 -1.97065 -3.94311 63.7509 -7.2041 28.2221 TIMING: 4028800 CPU: 12085.4, 0.00302782/step Wall: 12085.4, 0.00302782/step, 0.816837 hours remaining, 207.531250 MB of memory in use. ENERGY: 4028800 746.2736 2105.8135 1944.6597 117.2828 -206329.4973 17759.8985 0.0000 0.0000 34089.0881 -149566.4810 297.7085 -183655.5691 -149470.0643 298.5647 -100.0815 -67.6399 557287.4278 -14.0641 -13.8816 PRESSURE: 4029000 -112.973 76.0693 80.399 76.0691 -25.6696 15.047 80.3993 15.0447 -132.707 GPRESSURE: 4029000 -35.2075 73.8152 144.179 -54.4647 -19.4827 14.691 33.1089 50.1126 -115.448 PRESSAVG: 4029000 -38.4602 -47.9919 51.0978 -47.9917 -21.6616 -18.4995 51.0977 -18.4996 63.1038 GPRESSAVG: 4029000 -38.2913 -47.0936 51.2108 -49.6286 -21.9481 -19.7212 50.2665 -18.5048 63.6026 TIMING: 4029000 CPU: 12086, 0.00304212/step Wall: 12086, 0.00304212/step, 0.820527 hours remaining, 207.531250 MB of memory in use. ENERGY: 4029000 738.6905 2097.2033 1982.1842 115.4706 -206636.6696 17967.0569 0.0000 0.0000 34089.0333 -149647.0309 297.7080 -183736.0641 -149550.2176 298.4039 -90.4498 -56.7127 558098.8431 0.9940 1.1211 PRESSURE: 4029200 30.1397 -17.3601 -16.4419 -17.361 25.5777 -236.542 -16.4429 -236.544 273.228 GPRESSURE: 4029200 88.7154 -41.5253 10.6324 -33.6486 89.9088 -300.726 0.38062 -207.344 254.166 PRESSAVG: 4029200 8.28028 12.5024 -3.68931 12.5025 -32.9311 -19.8638 -3.6893 -19.8638 -0.145471 GPRESSAVG: 4029200 9.91281 10.9043 -3.63528 14.2897 -33.2719 -18.866 -2.10192 -18.4211 -1.42059 TIMING: 4029200 CPU: 12086.6, 0.00305321/step Wall: 12086.6, 0.00305321/step, 0.82335 hours remaining, 207.546875 MB of memory in use. ENERGY: 4029200 753.2577 2014.7559 1959.2426 118.3794 -206582.7552 17956.3941 0.0000 0.0000 34235.8696 -149544.8558 298.9904 -183780.7254 -149446.6398 298.2206 109.6484 144.2633 557493.5563 -8.2654 -8.2599 PRESSURE: 4029400 -61.1447 -48.3257 6.4607 -48.3271 -285.628 -77.3193 6.4612 -77.318 30.0176 GPRESSURE: 4029400 1.47528 -125.306 92.445 -8.10371 -274.351 -35.9364 -81.9461 -109.632 46.1421 PRESSAVG: 4029400 -1.30838 13.7244 29.7311 13.7243 -14.1988 -26.663 29.731 -26.663 8.96229 GPRESSAVG: 4029400 -1.29529 12.8044 31.1796 16.0989 -13.9827 -24.9546 27.3957 -27.4744 9.14534 TIMING: 4029400 CPU: 12087.2, 0.003062/step Wall: 12087.2, 0.003062/step, 0.825549 hours remaining, 207.546875 MB of memory in use. ENERGY: 4029400 748.3857 2117.4335 1957.1898 118.0803 -206219.8057 17668.6961 0.0000 0.0000 34262.1825 -149347.8378 299.2202 -183610.0203 -149251.4597 298.8252 -105.5850 -75.5778 556735.3629 -2.1816 -2.0442 PRESSURE: 4029600 -27.3335 -19.0197 140.886 -19.0203 270.741 158.545 140.886 158.545 -105.732 GPRESSURE: 4029600 16.871 -50.3419 133.515 32.6119 276.781 102.569 177.951 172.283 -57.1167 PRESSAVG: 4029600 -9.93075 -50.0117 -18.9654 -50.0117 56.4968 9.3395 -18.9654 9.33946 -7.20272 GPRESSAVG: 4029600 -11.5827 -48.987 -20.3561 -51.1021 56.4518 8.25104 -17.7756 8.1114 -5.6221 TIMING: 4029600 CPU: 12087.8, 0.00304529/step Wall: 12087.8, 0.0030453/step, 0.820876 hours remaining, 207.546875 MB of memory in use. ENERGY: 4029600 749.3130 2104.1358 1962.7342 111.5258 -205940.4589 17691.5088 0.0000 0.0000 34376.3774 -148944.8638 300.2175 -183321.2413 -148846.8363 299.5016 45.8917 78.8451 556999.2645 13.1211 13.0823 PRESSURE: 4029800 -43.9403 -73.3735 -24.3002 -73.3731 -30.0473 145.024 -24.3009 145.024 -28.7191 GPRESSURE: 4029800 -13.6932 -88.3742 -10.6048 -67.2289 15.8004 114.246 -24.0939 100.554 -16.2551 PRESSAVG: 4029800 6.11529 -26.4508 2.1325 -26.4508 -5.12879 -23.8578 2.13244 -23.8579 -12.5921 GPRESSAVG: 4029800 6.48769 -25.1462 1.61872 -28.8215 -3.88688 -23.5857 0.0125348 -22.7547 -14.0678 TIMING: 4029800 CPU: 12088.4, 0.00305821/step Wall: 12088.4, 0.00305821/step, 0.824187 hours remaining, 207.546875 MB of memory in use. ENERGY: 4029800 720.2760 2145.4525 1957.2788 100.4410 -205727.6369 17616.0066 0.0000 0.0000 34345.8181 -148842.3639 299.9506 -183188.1820 -148749.9126 300.2590 -34.2356 -4.7159 558337.5427 -3.8685 -3.8223 PRESSURE: 4030000 83.6753 20.6842 -28.5397 20.6824 294.545 108.202 -28.541 108.202 236.348 GPRESSURE: 4030000 99.3252 25.5068 -24.7137 33.9491 342.119 112.517 -57.3862 117.869 255.031 PRESSAVG: 4030000 -22.7857 20.3257 27.5832 20.3258 30.5599 -15.3294 27.5832 -15.3294 -36.1921 GPRESSAVG: 4030000 -23.1291 21.8254 28.1947 20.2687 30.2925 -17.1317 28.7819 -14.5774 -35.9499 TIMING: 4030000 CPU: 12089, 0.00305199/step Wall: 12089, 0.00305199/step, 0.822342 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: 4030000 737.7116 2125.4703 1948.3178 116.3149 -206315.5918 18079.1636 0.0000 0.0000 34379.8868 -148928.7268 300.2481 -183308.6136 -148838.0581 300.0914 204.8563 232.1582 557038.7889 -9.4726 -9.5955 PRESSURE: 4030200 77.5101 -16.9837 -124.306 -16.983 146.679 -64.3704 -124.306 -64.371 106.308 GPRESSURE: 4030200 34.6904 -47.4234 -112.334 -35.3849 222.298 -47.8527 -175.589 -102.196 155.786 PRESSAVG: 4030200 -40.5671 -60.0241 3.02517 -60.0241 17.4549 -31.1359 3.02526 -31.136 88.3691 GPRESSAVG: 4030200 -39.8819 -62.6704 2.70368 -58.764 16.8447 -28.1801 2.9194 -32.7656 88.4149 TIMING: 4030200 CPU: 12089.6, 0.00302586/step Wall: 12089.6, 0.00302586/step, 0.815133 hours remaining, 207.546875 MB of memory in use. ENERGY: 4030200 743.3255 2113.7214 1924.5558 127.5035 -206106.8367 17869.4954 0.0000 0.0000 34313.3665 -149014.8687 299.6672 -183328.2352 -148918.3556 300.2011 110.1656 137.5917 558284.7449 21.7523 21.7926 PRESSURE: 4030400 -257.15 13.0147 40.508 13.0149 -284.091 14.18 40.5091 14.1796 -167.525 GPRESSURE: 4030400 -256.97 -16.681 138.498 39.3207 -226.55 -69.6181 16.1146 54.1991 -126.828 PRESSAVG: 4030400 37.1041 0.347249 -48.1759 0.347267 -30.4949 4.41338 -48.1759 4.41344 15.6561 GPRESSAVG: 4030400 35.4645 0.552078 -46.1623 -0.280595 -29.5077 2.54371 -50.0757 5.99364 16.3003 TIMING: 4030400 CPU: 12090.2, 0.00305529/step Wall: 12090.2, 0.00305529/step, 0.822891 hours remaining, 207.546875 MB of memory in use. ENERGY: 4030400 747.4600 2079.5413 1919.9371 109.0249 -205413.3762 17257.3079 0.0000 0.0000 34333.6245 -148966.4806 299.8441 -183300.1051 -148877.1622 299.9843 -236.2555 -203.4493 558815.6175 7.4217 7.4190 PRESSURE: 4030600 -25.5707 -14.0738 16.0962 -14.0732 57.5222 11.8168 16.097 11.8183 -74.1455 GPRESSURE: 4030600 -5.19627 16.1472 -6.75227 21.449 97.6387 -18.5556 9.11388 54.0774 -45.299 PRESSAVG: 4030600 76.3762 -15.2257 -18.0165 -15.2257 -30.7771 38.1248 -18.0166 38.1248 -12.8173 GPRESSAVG: 4030600 77.7198 -15.7107 -18.45 -15.1487 -32.059 36.8884 -16.8559 36.5783 -13.4082 TIMING: 4030600 CPU: 12090.9, 0.0030646/step Wall: 12090.9, 0.0030646/step, 0.825228 hours remaining, 207.546875 MB of memory in use. ENERGY: 4030600 725.1654 2090.0972 1947.0145 100.8824 -206228.4548 17866.7547 0.0000 0.0000 34360.9782 -149137.5624 300.0830 -183498.5406 -149040.9111 300.2237 -14.0647 15.7145 557634.2235 10.9273 10.7509 PRESSURE: 4030800 -81.9895 -17.8475 -54.3927 -17.8485 -21.2167 61.1878 -54.3922 61.1862 -102.733 GPRESSURE: 4030800 -98.8692 -37.2708 -3.98863 -10.4054 62.4096 -27.4982 -132.529 31.5072 -72.8432 PRESSAVG: 4030800 54.769 -55.8281 -26.9965 -55.8282 -34.6237 21.8093 -26.9964 21.8092 -8.70006 GPRESSAVG: 4030800 54.641 -52.6091 -27.9951 -54.9236 -34.228 22.7641 -28.0149 22.4585 -9.61323 TIMING: 4030800 CPU: 12091.5, 0.00307318/step Wall: 12091.5, 0.00307318/step, 0.827368 hours remaining, 207.546875 MB of memory in use. ENERGY: 4030800 742.6535 2129.1157 1942.1212 118.4789 -205985.6558 17742.2727 0.0000 0.0000 34268.8134 -149042.2003 299.2781 -183311.0138 -148945.7055 299.6580 -68.6464 -36.4343 558701.1140 3.8151 3.5999 PRESSURE: 4031000 72.6342 -28.7013 -116.258 -28.702 99.7484 -86.1815 -116.259 -86.1799 -157.398 GPRESSURE: 4031000 164.436 -15.2416 -14.3423 -29.7841 110.285 -106.107 -147.607 -67.8688 -149.988 PRESSAVG: 4031000 14.0515 -17.2274 -9.10246 -17.2273 -1.53388 -34.8846 -9.10239 -34.8846 -15.7826 GPRESSAVG: 4031000 14.9368 -19.1217 -8.77363 -19.1387 -2.09416 -34.1885 -7.75935 -34.7116 -15.4188 TIMING: 4031000 CPU: 12092.1, 0.0030547/step Wall: 12092.1, 0.0030547/step, 0.822222 hours remaining, 207.546875 MB of memory in use. ENERGY: 4031000 700.3141 2045.3300 1911.8037 102.9766 -206024.5627 17782.5566 0.0000 0.0000 34399.1569 -149082.4247 300.4164 -183481.5816 -148993.0297 299.5769 4.9950 41.5775 558298.9594 -1.0883 -0.8587 PRESSURE: 4031200 26.4946 -139.721 -49.2018 -139.721 -211.764 -67.6763 -49.2024 -67.6756 105.428 GPRESSURE: 4031200 18.3399 -124.968 -82.7299 -122.4 -149.446 -105.022 31.3127 -34.2815 160.956 PRESSAVG: 4031200 -25.3269 -53.9235 6.67011 -53.9235 26.4791 14.9447 6.6702 14.9448 -22.8097 GPRESSAVG: 4031200 -26.2923 -54.6548 6.86483 -52.8413 27.2566 14.5926 4.7778 14.8946 -22.909 TIMING: 4031200 CPU: 12092.7, 0.00305769/step Wall: 12092.7, 0.00305769/step, 0.822858 hours remaining, 207.546875 MB of memory in use. ENERGY: 4031200 723.6933 2102.8226 1941.7174 109.1783 -205915.8988 17779.1946 0.0000 0.0000 34204.9634 -149054.3291 298.7205 -183259.2925 -148963.0128 299.6104 -26.6136 9.9498 558503.1871 -7.2192 -7.3149 PRESSURE: 4031400 -96.5276 -67.8846 0.262819 -67.883 63.5677 62.5822 0.263572 62.581 236.15 GPRESSURE: 4031400 -86.3489 -59.622 -38.972 -93.9817 135.892 112.347 31.9072 28.9788 255.199 PRESSAVG: 4031400 -37.4368 -16.5746 17.7784 -16.5745 17.448 -0.631355 17.7784 -0.631463 5.83465 GPRESSAVG: 4031400 -36.9255 -15.811 19.168 -17.2078 17.2456 0.836218 19.9292 -0.520189 5.93655 TIMING: 4031400 CPU: 12093.3, 0.00304916/step Wall: 12093.3, 0.00304916/step, 0.820392 hours remaining, 207.546875 MB of memory in use. ENERGY: 4031400 741.0430 2131.9847 1957.6149 118.9534 -206367.7081 17893.2500 0.0000 0.0000 34278.0591 -149246.8028 299.3588 -183524.8619 -149144.8370 298.7798 67.7300 101.5807 559496.0193 -4.7181 -4.5811 PRESSURE: 4031600 53.9091 -80.9245 200.363 -80.9248 249.684 42.455 200.364 42.4543 -95.6979 GPRESSURE: 4031600 83.0172 -156.633 221.017 56.7108 348.099 44.7324 118.39 27.3556 -125.429 PRESSAVG: 4031600 16.647 -21.4471 15.7176 -21.447 -52.1561 75.2477 15.7176 75.2475 45.1025 GPRESSAVG: 4031600 16.0181 -22.5587 15.2502 -19.2481 -51.94 74.0463 15.3063 75.2791 45.1545 TIMING: 4031600 CPU: 12093.9, 0.00303884/step Wall: 12093.9, 0.00303884/step, 0.817449 hours remaining, 207.546875 MB of memory in use. ENERGY: 4031600 728.8101 2151.0078 1954.1731 111.9111 -206535.3358 18267.8250 0.0000 0.0000 34229.8829 -149091.7257 298.9381 -183321.6087 -148997.8671 299.2022 69.2985 101.8958 560109.1167 3.1978 3.0775 PRESSURE: 4031800 262.418 -36.1345 22.7273 -36.1348 69.1129 -174.503 22.7277 -174.504 219.644 GPRESSURE: 4031800 327.8 52.7705 52.4814 -36.1542 75.9458 -185.443 -73.2164 -171.734 239.301 PRESSAVG: 4031800 -20.3441 3.39198 36.4475 3.39196 -24.7946 -46.8769 36.4476 -46.8768 54.6759 GPRESSAVG: 4031800 -20.5287 4.258 34.52 1.05764 -24.7279 -46.4225 36.4049 -45.8984 55.2827 TIMING: 4031800 CPU: 12094.5, 0.00307599/step Wall: 12094.5, 0.00307599/step, 0.82727 hours remaining, 207.546875 MB of memory in use. ENERGY: 4031800 729.0288 2082.5416 1974.4574 112.7683 -206191.3642 18063.6544 0.0000 0.0000 34193.8858 -149035.0279 298.6237 -183228.9137 -148943.0611 299.6402 183.7251 214.3490 559215.8393 3.1791 3.3420 PRESSURE: 4032000 -142.994 199.649 100.97 199.648 192.221 54.3533 100.971 54.3527 170.613 GPRESSURE: 4032000 -100.728 212.299 111.456 115.015 192.299 91.9391 85.1372 41.7909 211.521 PRESSAVG: 4032000 -34.8952 19.2413 -6.42041 19.2412 -12.8013 -17.0954 -6.42043 -17.0954 33.5734 GPRESSAVG: 4032000 -34.9513 19.873 -6.66625 19.7554 -12.6263 -18.6352 -5.42999 -16.2017 33.688 TIMING: 4032000 CPU: 12095.1, 0.00303957/step Wall: 12095.1, 0.00303957/step, 0.817306 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: 4032000 749.8344 2154.9362 1953.7041 107.2398 -206537.7581 18109.4686 0.0000 0.0000 34314.2612 -149148.3138 299.6750 -183462.5750 -149056.8009 299.3357 73.2798 101.0308 557227.1353 -4.7077 -4.6299 PRESSURE: 4032200 -233.733 3.11911 59.2958 3.11999 25.9383 18.1914 59.2976 18.1921 -17.3366 GPRESSURE: 4032200 -228.046 24.9908 -11.7598 63.7818 76.5546 10.7784 38.0659 7.88471 15.7661 PRESSAVG: 4032200 -60.389 -0.0180184 22.891 -0.0180658 -29.7786 22.7445 22.8911 22.7444 76.5777 GPRESSAVG: 4032200 -60.0554 -2.55381 23.5094 0.981894 -30.0813 24.6962 23.2992 20.3929 76.6186 TIMING: 4032200 CPU: 12095.8, 0.00308146/step Wall: 12095.8, 0.00308146/step, 0.8284 hours remaining, 207.546875 MB of memory in use. ENERGY: 4032200 730.9402 2097.7950 1960.9001 124.5293 -205999.9257 17663.9196 0.0000 0.0000 34129.0755 -149292.7660 298.0577 -183421.8415 -149194.7712 299.1483 -75.0436 -45.2418 559297.5242 -4.5299 -4.5060 LDB: ============= START OF LOAD BALANCING ============== 12099.2 LDB: ============== END OF LOAD BALANCING =============== 12099.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12099.2 LDB: ============= START OF LOAD BALANCING ============== 12099.5 LDB: Largest compute 4822 load 0.024730 is 20.9% of average load 0.118045 LDB: Average compute 0.001730 is 1.5% of average load 0.118045 LDB: TIME 12099.5 LOAD: AVG 0.118045 MAX 0.217859 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.113 MB LDB: TIME 12099.5 LOAD: AVG 0.118045 MAX 0.217859 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.246 MB LDB: TIME 12099.5 LOAD: AVG 0.118045 MAX 0.217859 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.246 MB LDB: ============== END OF LOAD BALANCING =============== 12099.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12099.5 PRESSURE: 4032400 19.3186 -215.225 60.5511 -215.225 32.2293 -7.6986 60.5496 -7.69949 3.9979 GPRESSURE: 4032400 89.9568 -197.364 -5.21152 -190.578 71.8891 -94.9481 65.8435 8.07837 -17.9789 PRESSAVG: 4032400 -18.5969 -22.8598 2.18152 -22.8597 -1.93494 -29.778 2.18155 -29.7781 42.2515 GPRESSAVG: 4032400 -18.8387 -20.9817 2.83574 -21.7273 -1.71909 -27.8206 1.11557 -29.629 42.5175 TIMING: 4032400 CPU: 12096.4, 0.00313765/step Wall: 12096.4, 0.00313765/step, 0.843329 hours remaining, 209.718750 MB of memory in use. ENERGY: 4032400 730.8596 2064.7430 1950.1297 107.0077 -206031.9740 17834.1612 0.0000 0.0000 34045.7718 -149299.3010 297.3302 -183345.0728 -149200.0354 299.2123 18.5153 47.9557 558749.7342 7.2399 7.3199 PRESSURE: 4032600 -135.073 -122.193 -59.7217 -122.193 -66.5406 -16.5109 -59.7214 -16.5128 130.42 GPRESSURE: 4032600 -70.0354 -89.9181 -0.647285 -170.259 -35.0213 -66.5871 -61.8784 -2.64036 136.716 PRESSAVG: 4032600 -46.1954 -43.2142 27.3465 -43.2143 62.0312 23.3972 27.3465 23.3973 -8.56312 GPRESSAVG: 4032600 -45.6064 -44.2432 27.8415 -44.2994 60.7931 22.4615 27.9124 23.7154 -8.42121 TIMING: 4032600 CPU: 12097, 0.00302816/step Wall: 12097, 0.00302816/step, 0.813733 hours remaining, 209.718750 MB of memory in use. ENERGY: 4032600 728.7512 2066.9508 1952.0673 118.0907 -205862.9203 17632.2622 0.0000 0.0000 34070.6198 -149294.1783 297.5472 -183364.7980 -149196.3102 298.5458 -23.7313 10.5531 558783.3554 2.4242 2.2551 PRESSURE: 4032800 172.428 -44.5818 -15.5587 -44.5824 -236.004 229.758 -15.5601 229.759 -365.299 GPRESSURE: 4032800 170.896 -12.235 -6.05573 -40.1541 -200.409 147.428 65.2732 220.705 -299.129 PRESSAVG: 4032800 -0.919674 -0.891764 -12.967 -0.891836 -1.49765 25.7629 -12.967 25.7628 -9.37195 GPRESSAVG: 4032800 -0.30629 0.182299 -15.9556 -2.10877 -2.23349 24.3451 -12.1675 23.8765 -9.93688 TIMING: 4032800 CPU: 12097.6, 0.00303507/step Wall: 12097.6, 0.00303507/step, 0.815422 hours remaining, 209.718750 MB of memory in use. ENERGY: 4032800 751.9867 2109.7315 1936.2097 109.6305 -206073.4503 17795.4295 0.0000 0.0000 34069.0637 -149301.3988 297.5336 -183370.4624 -149203.1960 298.9853 -142.9584 -109.5476 560734.9574 -3.9298 -4.1589 PRESSURE: 4033000 -151.622 -18.6049 -83.3039 -18.6036 -191.769 42.7526 -83.304 42.7517 91.5529 GPRESSURE: 4033000 -103.363 -28.918 -113.482 3.75145 -130.215 34.1723 -101.869 43.3886 67.8337 PRESSAVG: 4033000 -28.4771 -36.0776 22.7834 -36.0776 3.20216 20.5165 22.7834 20.5164 53.6986 GPRESSAVG: 4033000 -29.2117 -35.8413 23.9399 -36.2907 4.81022 21.0771 22.3341 22.9038 52.8863 TIMING: 4033000 CPU: 12098.2, 0.00303041/step Wall: 12098.2, 0.00303041/step, 0.814002 hours remaining, 209.718750 MB of memory in use. ENERGY: 4033000 753.1630 2132.3646 1918.8766 118.2024 -206054.8480 17782.3703 0.0000 0.0000 34152.5494 -149197.3218 298.2627 -183349.8712 -149105.8925 298.6158 -83.9459 -55.2479 558474.2382 9.4746 9.4949 PRESSURE: 4033200 -151.603 74.8347 103.599 74.836 -105.455 -246.092 103.599 -246.092 -60.234 GPRESSURE: 4033200 -68.463 154.492 89.7295 17.0267 -71.7997 -192.358 -39.5071 -240.13 -95.7595 PRESSAVG: 4033200 -60.7269 -15.0126 -2.35007 -15.0126 1.61593 -43.1693 -2.35007 -43.1692 15.1759 GPRESSAVG: 4033200 -61.204 -15.1304 -3.60716 -13.4344 1.39344 -42.9463 -2.17786 -43.1232 15.9777 TIMING: 4033200 CPU: 12098.8, 0.00308008/step Wall: 12098.8, 0.00308008/step, 0.827174 hours remaining, 209.898438 MB of memory in use. ENERGY: 4033200 753.5309 2108.8288 1950.2309 114.4510 -206003.9326 17600.7482 0.0000 0.0000 34218.4002 -149257.7426 298.8378 -183476.1428 -149165.2822 298.9825 -105.7642 -78.6740 557570.7734 -14.6450 -14.6109 PRESSURE: 4033400 -31.4282 -153.452 -38.5389 -153.452 -39.4718 50.6924 -38.5397 50.6918 195.195 GPRESSURE: 4033400 39.6313 -127.099 -9.18071 -198.293 4.01582 10.7599 -78.1968 53.0632 169.275 PRESSAVG: 4033400 30.5582 -23.9967 5.67855 -23.9967 -34.2013 -35.2087 5.67855 -35.2086 6.71297 GPRESSAVG: 4033400 29.7259 -24.685 6.25949 -24.8263 -33.8414 -36.252 5.54502 -33.09 6.59271 TIMING: 4033400 CPU: 12099.4, 0.00306189/step Wall: 12099.4, 0.00306189/step, 0.822118 hours remaining, 209.968750 MB of memory in use. ENERGY: 4033400 788.2170 2050.4954 1956.1444 106.5035 -206417.5705 17961.5749 0.0000 0.0000 34129.2950 -149425.3402 298.0596 -183554.6352 -149328.6122 299.0009 41.4316 70.9740 558250.9799 1.0233 0.8257 PRESSURE: 4033600 176.966 -83.9037 -27.2386 -83.9039 -189.89 20.2111 -27.2385 20.2102 132.748 GPRESSURE: 4033600 216.824 -79.2718 -0.71711 -90.9758 -149.134 51.3609 21.0765 43.8728 156.866 PRESSAVG: 4033600 -3.20785 -47.4666 11.3531 -47.4665 -5.45539 -4.10243 11.3531 -4.1024 9.63435 GPRESSAVG: 4033600 -2.27678 -47.5647 11.9431 -46.6581 -6.43028 -3.06719 10.2379 -5.69631 9.661 TIMING: 4033600 CPU: 12100, 0.00304423/step Wall: 12100, 0.00304423/step, 0.817207 hours remaining, 209.968750 MB of memory in use. ENERGY: 4033600 730.4571 2116.2541 1942.1405 126.2058 -206422.8817 17810.5399 0.0000 0.0000 34284.1495 -149413.1348 299.4120 -183697.2843 -149313.7046 298.8423 39.9417 74.8523 556677.1298 0.3237 0.3180 PRESSURE: 4033800 -96.5002 -178.728 -55.1542 -178.729 -42.2565 -26.4448 -55.1544 -26.4439 70.0717 GPRESSURE: 4033800 -56.7416 -127.493 -60.013 -257.284 17.0567 -34.5315 72.4759 15.9064 80.7185 PRESSAVG: 4033800 -30.2871 -42.7418 -4.33122 -42.7418 24.6443 -21.1218 -4.33121 -21.1218 30.1093 GPRESSAVG: 4033800 -29.7901 -40.8031 -5.21151 -44.4758 24.3868 -21.045 -1.75522 -22.614 30.0335 TIMING: 4033800 CPU: 12100.6, 0.00305051/step Wall: 12100.6, 0.00305051/step, 0.818723 hours remaining, 209.968750 MB of memory in use. ENERGY: 4033800 731.4908 2074.0301 1925.0742 114.8545 -206468.3427 17847.2322 0.0000 0.0000 34408.0371 -149367.6238 300.4939 -183775.6609 -149274.4119 298.7229 -22.8950 13.6779 556600.8664 8.1555 8.2100 PRESSURE: 4034000 -21.1849 -55.4778 -94.9286 -55.4776 424.631 102.952 -94.9292 102.953 297.066 GPRESSURE: 4034000 -29.2684 -63.2008 -86.1513 -22.6311 471.28 71.6537 -147.144 76.5052 339.59 PRESSAVG: 4034000 -67.9419 7.57189 -57.3199 7.57177 34.0865 43.2265 -57.32 43.2265 37.2389 GPRESSAVG: 4034000 -67.0637 5.08467 -57.0375 8.28643 33.8019 41.8162 -57.7307 44.98 37.0891 TIMING: 4034000 CPU: 12101.3, 0.00305252/step Wall: 12101.3, 0.00305252/step, 0.819092 hours remaining, 209.968750 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: 4034000 738.7287 2099.9165 1942.9073 96.3256 -206567.5788 18125.6704 0.0000 0.0000 34314.5739 -149249.4564 299.6777 -183564.0303 -149156.3327 299.0910 233.5040 260.5338 555600.2012 1.1278 1.2758 PRESSURE: 4034200 -93.0006 -109.329 -36.6679 -109.329 -127.869 65.0081 -36.6668 65.0087 -396.286 GPRESSURE: 4034200 -37.0154 -131.981 -26.5036 -30.9348 -86.4602 69.9981 -48.5475 95.1913 -400.678 PRESSAVG: 4034200 -40.1534 -33.0172 11.2471 -33.0172 75.8875 40.4295 11.2471 40.4296 -20.909 GPRESSAVG: 4034200 -41.0351 -33.553 11.1202 -32.9868 76.0846 42.5484 11.0608 40.2819 -20.1017 TIMING: 4034200 CPU: 12101.9, 0.00306994/step Wall: 12101.9, 0.00306994/step, 0.823598 hours remaining, 209.968750 MB of memory in use. ENERGY: 4034200 722.7913 2108.8605 1910.7617 127.8755 -205858.8340 17546.9371 0.0000 0.0000 34183.0074 -149258.6005 298.5287 -183441.6080 -149165.8764 298.5362 -205.7184 -174.7180 558001.1601 4.9417 4.9826 PRESSURE: 4034400 -55.7687 12.1776 81.4232 12.1771 -195.863 1.29347 81.4233 1.29241 84.1151 GPRESSURE: 4034400 -24.6369 99.8153 153.638 -0.821807 -162.8 33.5544 89.8481 8.98462 124.147 PRESSAVG: 4034400 -2.64829 11.9011 0.01448 11.9011 71.2757 -38.989 0.0145283 -38.989 -51.8551 GPRESSAVG: 4034400 -3.01148 12.1604 2.01203 10.9722 72.0241 -39.1744 -0.14752 -38.7304 -52.3806 TIMING: 4034400 CPU: 12102.5, 0.00307732/step Wall: 12102.5, 0.00307732/step, 0.825405 hours remaining, 209.968750 MB of memory in use. ENERGY: 4034400 783.1302 2084.9376 1936.6540 122.2504 -206186.0328 17692.3831 0.0000 0.0000 34231.7653 -149334.9122 298.9545 -183566.6775 -149241.1209 299.1867 -55.8388 -21.0969 557690.1532 5.5908 5.5440 PRESSURE: 4034600 33.6192 38.9712 -123.247 38.9712 -132.598 31.9187 -123.248 31.9181 -58.7897 GPRESSURE: 4034600 75.2152 169.698 -200.701 -0.832485 -65.5823 77.8112 -35.4548 24.8772 -59.8584 PRESSAVG: 4034600 11.7959 3.96517 46.864 3.96522 9.66185 17.0035 46.864 17.0035 20.1355 GPRESSAVG: 4034600 11.7558 3.93259 45.4777 4.21209 9.8715 16.9106 48.9113 15.7944 19.374 TIMING: 4034600 CPU: 12103.1, 0.0030821/step Wall: 12103.1, 0.0030821/step, 0.826516 hours remaining, 209.968750 MB of memory in use. ENERGY: 4034600 746.8059 2119.9834 1947.5481 113.0966 -206336.8854 17864.3919 0.0000 0.0000 34083.7672 -149461.2924 297.6620 -183545.0596 -149366.5906 298.7097 -52.5896 -16.7418 557429.2079 13.8644 13.6671 PRESSURE: 4034800 -180.198 -169.879 -156.699 -169.88 -356.146 -19.4337 -156.697 -19.4351 90.878 GPRESSURE: 4034800 -145.575 -135.47 -137.228 -216.091 -340.869 -23.3466 -85.9007 82.4909 135.802 PRESSAVG: 4034800 -45.4337 -43.8694 1.80601 -43.8693 36.0773 6.51718 1.80605 6.51716 -2.67632 GPRESSAVG: 4034800 -45.6889 -42.6698 2.14275 -44.6821 36.1485 6.15909 -2.93912 7.34326 -2.29673 TIMING: 4034800 CPU: 12103.7, 0.00309032/step Wall: 12103.7, 0.00309032/step, 0.82855 hours remaining, 209.968750 MB of memory in use. ENERGY: 4034800 722.3339 2094.9224 1961.9071 113.2761 -205917.6597 17419.7699 0.0000 0.0000 34262.5894 -149342.8610 299.2237 -183605.4504 -149242.1346 298.9994 -148.4886 -116.8806 558786.8627 -4.0109 -3.9457 PRESSURE: 4035000 -342.482 74.6968 0.447638 74.6975 -196.02 -38.8746 0.4472 -38.8739 -106.522 GPRESSURE: 4035000 -309.543 84.0433 -26.1363 5.4049 -99.021 62.6801 5.74303 -96.064 -134.368 PRESSAVG: 4035000 -48.3727 -17.5144 5.16628 -17.5144 3.08331 -35.9764 5.16631 -35.9764 29.321 GPRESSAVG: 4035000 -47.6558 -17.4597 5.14653 -16.708 2.2882 -34.8736 7.90657 -37.9813 28.9593 TIMING: 4035000 CPU: 12104.3, 0.00306973/step Wall: 12104.3, 0.00306973/step, 0.822859 hours remaining, 209.968750 MB of memory in use. ENERGY: 4035000 749.0080 2096.6556 1968.4048 106.7654 -206051.8885 17586.0440 0.0000 0.0000 34271.2945 -149273.7163 299.2997 -183545.0108 -149186.5320 299.2937 -215.0080 -180.9773 558509.3871 -5.3228 -5.4694 PRESSURE: 4035200 -29.1579 -22.566 -20.3645 -22.5666 41.772 -158.692 -20.3651 -158.693 36.4516 GPRESSURE: 4035200 26.4378 -57.7862 56.8115 49.9038 43.9931 -164.725 4.41468 -179.694 86.1649 PRESSAVG: 4035200 15.9022 -10.0767 -32.8026 -10.0766 29.4771 -64.8749 -32.8025 -64.8748 -28.0837 GPRESSAVG: 4035200 15.8119 -12.1671 -32.2121 -8.20642 29.6605 -64.7693 -34.6828 -64.1692 -28.5633 TIMING: 4035200 CPU: 12105, 0.00308021/step Wall: 12105, 0.00308021/step, 0.825498 hours remaining, 209.968750 MB of memory in use. ENERGY: 4035200 730.2690 2125.4829 1945.6117 116.3687 -206080.5339 17756.1571 0.0000 0.0000 34044.6581 -149361.9864 297.3205 -183406.6445 -149267.7856 299.3717 16.3553 52.1986 558298.2365 5.7652 5.6364 PRESSURE: 4035400 -216.238 119.613 -10.4581 119.615 9.21113 116.538 -10.4586 116.54 -294.022 GPRESSURE: 4035400 -113.9 51.5465 -16.476 105.404 31.7838 49.849 55.2258 112.224 -306.891 PRESSAVG: 4035400 48.2312 -77.1441 14.4554 -77.1441 5.84079 -7.22623 14.4556 -7.22599 -24.4095 GPRESSAVG: 4035400 48.3564 -75.8223 13.5843 -81.6719 5.0157 -7.75604 13.7661 -5.62189 -24.0649 TIMING: 4035400 CPU: 12105.6, 0.00307385/step Wall: 12105.6, 0.00307385/step, 0.823621 hours remaining, 209.968750 MB of memory in use. ENERGY: 4035400 714.4502 2094.6171 1925.4415 108.3141 -206393.0489 17707.0656 0.0000 0.0000 34344.6019 -149498.5585 299.9400 -183843.1604 -149400.1536 299.0923 -167.0164 -129.6691 557415.6125 9.8875 9.7691 PRESSURE: 4035600 101.239 89.702 105.715 89.7001 -26.9047 192.041 105.714 192.041 -189.883 GPRESSURE: 4035600 121.516 39.395 108.699 131.51 -47.1398 161.237 119.218 225.709 -87.8986 PRESSAVG: 4035600 -18.8938 -9.70701 17.1719 -9.70697 6.18245 61.0627 17.1718 61.0625 -8.78078 GPRESSAVG: 4035600 -19.9854 -9.18182 16.1698 -7.12104 7.74545 60.7168 20.0778 61.1578 -9.26505 TIMING: 4035600 CPU: 12106.2, 0.0030514/step Wall: 12106.2, 0.0030514/step, 0.817435 hours remaining, 209.968750 MB of memory in use. ENERGY: 4035600 739.0347 2100.3919 1960.1082 106.5814 -206289.0567 17770.8153 0.0000 0.0000 34204.7319 -149407.3933 298.7184 -183612.1251 -149308.8576 299.1060 -38.5164 -4.5075 557035.2071 -7.1641 -7.1683 PRESSURE: 4035800 -4.61413 -122.83 -40.6166 -122.829 66.6442 -139.452 -40.6166 -139.451 -91.3175 GPRESSURE: 4035800 53.5505 -96.7474 -100.362 -34.1571 46.0474 -184.655 34.4967 -122.06 -24.6706 PRESSAVG: 4035800 52.4648 17.8294 27.9661 17.8294 39.0857 -55.4681 27.9661 -55.4681 -24.129 GPRESSAVG: 4035800 52.5813 17.5124 28.9252 17.9055 38.229 -52.3855 27.7404 -57.3659 -22.8072 TIMING: 4035800 CPU: 12106.8, 0.00306061/step Wall: 12106.8, 0.00306061/step, 0.819733 hours remaining, 209.968750 MB of memory in use. ENERGY: 4035800 725.7886 2057.1922 1921.0478 104.1126 -206493.9920 18020.5148 0.0000 0.0000 34264.7308 -149400.6052 299.2424 -183665.3360 -149304.2044 298.9704 -9.7625 24.9758 556520.3120 22.4738 22.6677 PRESSURE: 4036000 64.6149 -16.4584 2.54074 -16.4576 129.842 67.2716 2.54012 67.2731 -26.6442 GPRESSURE: 4036000 106.481 -93.9629 55.8148 -21.4603 205.282 64.7848 -96.0835 33.9955 -51.3649 PRESSAVG: 4036000 4.67157 -2.02707 -4.64343 -2.02708 35.9157 15.6172 -4.64341 15.6173 3.17079 GPRESSAVG: 4036000 4.56929 -3.07957 -5.20717 -2.08312 37.0996 14.1142 -5.57853 15.9938 2.06546 TIMING: 4036000 CPU: 12107.4, 0.00304992/step Wall: 12107.4, 0.00304992/step, 0.816701 hours remaining, 209.968750 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: 4036000 704.9524 2152.1012 1956.8927 115.7199 -206608.7979 17993.7615 0.0000 0.0000 34154.4537 -149530.9166 298.2793 -183685.3704 -149435.4892 298.3065 55.9375 86.7992 557470.1269 14.5860 14.5781 PRESSURE: 4036200 -437.558 22.4457 -73.9597 22.4445 -211.991 41.8892 -73.9602 41.8894 -160.488 GPRESSURE: 4036200 -414.378 -14.5119 -132.819 46.8492 -180.467 8.23322 -11.0538 48.3924 -123.826 PRESSAVG: 4036200 -25.379 -17.3758 -0.203393 -17.3759 13.159 30.9265 -0.203459 30.9267 15.6416 GPRESSAVG: 4036200 -24.4063 -17.719 -0.551413 -14.4694 11.6515 29.6498 1.79418 32.0484 15.9478 TIMING: 4036200 CPU: 12108, 0.00306538/step Wall: 12108, 0.00306538/step, 0.82067 hours remaining, 209.968750 MB of memory in use. ENERGY: 4036200 769.8569 2081.6093 1950.5700 122.9125 -206042.4912 17510.1550 0.0000 0.0000 33999.2336 -149608.1538 296.9238 -183607.3874 -149520.2278 298.1868 -270.0125 -239.5573 557870.6025 1.1405 1.0643 LDB: ============= START OF LOAD BALANCING ============== 12111.5 LDB: ============== END OF LOAD BALANCING =============== 12111.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12111.5 LDB: ============= START OF LOAD BALANCING ============== 12111.8 LDB: Largest compute 4822 load 0.024745 is 20.9% of average load 0.118168 LDB: Average compute 0.001728 is 1.5% of average load 0.118168 LDB: TIME 12111.8 LOAD: AVG 0.118168 MAX 0.224234 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.742 MB LDB: TIME 12111.8 LOAD: AVG 0.118168 MAX 0.224234 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.742 MB LDB: TIME 12111.8 LOAD: AVG 0.118168 MAX 0.224234 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.742 MB LDB: ============== END OF LOAD BALANCING =============== 12111.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12111.8 PRESSURE: 4036400 16.1701 60.0908 -104.162 60.0908 -177.962 101.591 -104.162 101.591 -155.262 GPRESSURE: 4036400 11.0491 120.364 -34.9274 129.025 -125.708 60.1819 -126.892 112.715 -118.877 PRESSAVG: 4036400 9.52323 31.8865 -33.2766 31.8865 12.81 -28.8173 -33.2766 -28.8174 13.1934 GPRESSAVG: 4036400 8.38325 34.5466 -31.9313 28.6963 13.5259 -27.663 -34.574 -28.2784 13.2485 TIMING: 4036400 CPU: 12108.6, 0.00316112/step Wall: 12108.6, 0.00316112/step, 0.846126 hours remaining, 207.765625 MB of memory in use. ENERGY: 4036400 755.8744 2097.6582 1961.8425 113.3872 -205994.7634 17573.0545 0.0000 0.0000 34053.8310 -149439.1157 297.4006 -183492.9467 -149344.2151 297.9828 -105.6846 -77.8453 557009.4630 11.8422 11.7192 PRESSURE: 4036600 8.0013 111.569 -47.1015 111.567 -67.6393 59.283 -47.1011 59.2819 -97.6052 GPRESSURE: 4036600 72.7216 135.357 -136.872 182.861 -35.1494 26.6027 -31.4735 127.368 -89.5786 PRESSAVG: 4036600 -17.3585 19.2201 22.2344 19.22 42.1933 0.309645 22.2344 0.309585 23.2901 GPRESSAVG: 4036600 -16.009 16.649 21.1766 20.5223 41.9386 1.00538 22.6687 -2.77996 22.1285 TIMING: 4036600 CPU: 12109.3, 0.00305721/step Wall: 12109.3, 0.00305721/step, 0.818144 hours remaining, 207.968750 MB of memory in use. ENERGY: 4036600 735.6742 2061.4191 1947.8539 105.2564 -206329.8071 17851.2093 0.0000 0.0000 34322.5947 -149305.7995 299.7478 -183628.3942 -149216.4380 299.2785 -52.4144 -17.3355 556145.1907 16.0416 16.0194 PRESSURE: 4036800 255.241 -60.146 -13.4755 -60.144 87.7987 -91.3742 -13.4746 -91.3733 89.707 GPRESSURE: 4036800 240.254 -160.143 -42.3777 -69.9691 130.195 -59.9723 15.5667 -119.91 139.041 PRESSAVG: 4036800 35.6915 -38.2668 -5.07253 -38.2668 -16.1486 0.704739 -5.07237 0.704721 22.4331 GPRESSAVG: 4036800 34.0287 -34.8137 -5.52373 -41.0552 -14.6056 -1.18583 -6.18342 2.54367 22.6925 TIMING: 4036800 CPU: 12109.9, 0.00306145/step Wall: 12109.9, 0.00306145/step, 0.819107 hours remaining, 207.968750 MB of memory in use. ENERGY: 4036800 748.0879 2095.4883 1944.6535 114.7916 -206178.6855 17883.7327 0.0000 0.0000 34194.2284 -149197.7030 298.6267 -183391.9315 -149105.7782 299.2006 144.2489 169.8299 556484.4061 13.9920 14.0385 PRESSURE: 4037000 -308.364 104.195 -6.74862 104.195 24.8029 -67.6217 -6.74898 -67.62 -97.1059 GPRESSURE: 4037000 -252.821 90.0528 15.8124 96.0101 103.755 -0.303201 -19.3029 -91.1062 -142.699 PRESSAVG: 4037000 -9.25728 110.342 -7.37608 110.342 50.9022 12.1446 -7.37612 12.1447 -12.6812 GPRESSAVG: 4037000 -10.0557 110.487 -6.58707 112.293 50.6085 13.4897 -4.5092 10.821 -11.5615 TIMING: 4037000 CPU: 12110.5, 0.00309471/step Wall: 12110.5, 0.00309471/step, 0.827836 hours remaining, 207.968750 MB of memory in use. ENERGY: 4037000 739.2072 2038.9300 1994.7152 123.9846 -205792.8445 17542.1319 0.0000 0.0000 34212.8757 -149140.9998 298.7896 -183353.8755 -149042.2054 298.7334 -126.8891 -97.2548 557480.6522 9.6546 9.6638 PRESSURE: 4037200 -19.0821 2.89297 74.5325 2.89151 -75.7546 -74.5077 74.5324 -74.5062 102.716 GPRESSURE: 4037200 21.3611 -59.834 11.767 -33.6906 -25.6137 -66.2992 120.414 -103.638 99.0683 PRESSAVG: 4037200 -27.9341 -34.832 -50.8711 -34.832 -48.9436 52.2248 -50.8711 52.2247 65.3455 GPRESSAVG: 4037200 -26.6778 -36.1679 -51.4235 -35.7808 -48.8419 51.6237 -52.7858 51.7627 64.7079 TIMING: 4037200 CPU: 12111.1, 0.00306375/step Wall: 12111.1, 0.00306375/step, 0.819384 hours remaining, 207.968750 MB of memory in use. ENERGY: 4037200 731.8156 2042.6336 1945.3482 108.9348 -205889.2282 17732.7294 0.0000 0.0000 34296.3932 -149031.3735 299.5189 -183327.7666 -148935.3259 300.1095 2.6266 31.6053 558114.4115 -3.8441 -3.6039 PRESSURE: 4037400 -118.298 123.113 92.6839 123.112 37.3049 95.959 92.6838 95.9597 23.8234 GPRESSURE: 4037400 -68.3496 138.241 -16.5836 105.078 110.866 91.8824 138.548 117.042 8.36117 PRESSAVG: 4037400 -7.21698 -57.5738 -10.6636 -57.5739 2.20602 -7.44915 -10.6636 -7.44922 47.9119 GPRESSAVG: 4037400 -6.22214 -57.3301 -11.3924 -55.6884 1.69544 -8.62387 -9.75268 -6.75409 47.4828 TIMING: 4037400 CPU: 12111.7, 0.00308639/step Wall: 12111.7, 0.00308639/step, 0.825266 hours remaining, 207.968750 MB of memory in use. ENERGY: 4037400 709.2094 2100.8059 1996.5480 111.3977 -205842.7577 17613.0906 0.0000 0.0000 34363.4573 -148948.2487 300.1046 -183311.7060 -148850.9996 299.7432 -19.0567 16.9592 557703.4860 14.3003 14.3187 PRESSURE: 4037600 -416.035 106.087 -79.1995 106.089 -106.5 52.0986 -79.1998 52.0992 -25.656 GPRESSURE: 4037600 -377.416 70.8635 -126.308 184.298 -72.56 130.662 6.30615 13.9794 -5.98451 PRESSAVG: 4037600 -6.51254 -36.4461 -20.6751 -36.4462 11.8447 7.15054 -20.6751 7.15054 19.0738 GPRESSAVG: 4037600 -7.17132 -38.1503 -19.6132 -37.5723 11.5331 8.50672 -21.6622 7.82846 19.875 TIMING: 4037600 CPU: 12112.3, 0.00307073/step Wall: 12112.3, 0.00307073/step, 0.820909 hours remaining, 207.968750 MB of memory in use. ENERGY: 4037600 712.7672 2044.5986 1952.5206 111.3108 -205286.8581 17220.6672 0.0000 0.0000 34566.9416 -148678.0522 301.8817 -183244.9938 -148566.9789 300.8576 -182.7305 -151.9870 558115.7019 8.1353 8.0789 PRESSURE: 4037800 142.395 41.5434 -243.093 41.5432 -123.489 41.2038 -243.094 41.2036 -40.7429 GPRESSURE: 4037800 121.15 114.912 -207.358 75.4359 -80.7967 69.1543 -235.825 -22.3231 30.3237 PRESSAVG: 4037800 -4.37643 4.08954 -26.2344 4.08949 -75.797 -10.0859 -26.2345 -10.0859 76.551 GPRESSAVG: 4037800 -3.50654 6.50562 -27.8996 4.30876 -75.9006 -10.5667 -25.869 -11.1975 75.9674 TIMING: 4037800 CPU: 12112.9, 0.00304955/step Wall: 12112.9, 0.00304955/step, 0.815076 hours remaining, 207.968750 MB of memory in use. ENERGY: 4037800 748.4207 2091.0173 1969.7177 108.1489 -205564.0962 17701.5220 0.0000 0.0000 34282.3231 -148662.9465 299.3961 -182945.2696 -148565.9872 300.8774 -7.2790 23.5589 557864.8026 -1.2075 -1.1466 PRESSURE: 4038000 110.769 -63.75 -14.094 -63.7511 173.569 -165.273 -14.0935 -165.273 262.914 GPRESSURE: 4038000 151.057 -119.788 51.3714 9.72272 191.98 -200.666 -69.3476 -152.132 292.438 PRESSAVG: 4038000 -15.2735 20.8898 -42.7444 20.8898 20.5962 10.0285 -42.7444 10.0286 27.827 GPRESSAVG: 4038000 -15.9275 21.1512 -42.0574 20.2421 19.9041 8.02092 -43.8821 10.4971 28.7653 TIMING: 4038000 CPU: 12113.6, 0.00304343/step Wall: 12113.6, 0.00304343/step, 0.813272 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: 4038000 763.1021 2069.9624 1958.7064 106.8530 -206156.5170 18132.4554 0.0000 0.0000 34524.6372 -148600.8005 301.5122 -183125.4377 -148501.1529 300.2831 182.4176 211.8248 558137.6494 11.0499 10.9140 PRESSURE: 4038200 -154.53 89.1575 40.7368 89.1583 -30.6767 -26.1542 40.7375 -26.155 -136.131 GPRESSURE: 4038200 -131.871 83.2445 75.5521 26.743 -37.4494 -114.129 35.7533 134.523 -53.9839 PRESSAVG: 4038200 -2.67792 0.914589 7.35162 0.914563 -23.5873 -10.7959 7.3516 -10.7959 55.4531 GPRESSAVG: 4038200 -2.97644 -0.478719 9.36691 1.40337 -23.0913 -10.4824 7.24588 -9.48425 54.6838 TIMING: 4038200 CPU: 12114.2, 0.00306715/step Wall: 12114.2, 0.00306715/step, 0.819441 hours remaining, 207.968750 MB of memory in use. ENERGY: 4038200 770.8176 2073.0768 1958.7307 121.1463 -205598.3746 17661.5432 0.0000 0.0000 34282.8444 -148730.2157 299.4006 -183013.0601 -148639.1725 300.4663 -107.1125 -74.4348 559850.4820 9.7293 9.5387 PRESSURE: 4038400 250.333 -57.5 -203.567 -57.5008 88.1819 -8.21484 -203.567 -8.21668 76.7995 GPRESSURE: 4038400 250.087 -96.494 -209.576 -24.4875 183.686 17.4509 -152.443 -42.1257 89.5193 PRESSAVG: 4038400 1.64205 52.9267 -7.24402 52.9267 -17.9837 -46.0405 -7.24403 -46.0405 0.325144 GPRESSAVG: 4038400 1.48927 52.9497 -10.3176 54.1726 -16.9177 -43.5655 -5.71544 -47.4576 -0.622847 TIMING: 4038400 CPU: 12114.8, 0.00305507/step Wall: 12114.8, 0.00305507/step, 0.816042 hours remaining, 207.968750 MB of memory in use. ENERGY: 4038400 711.3072 2063.7244 1942.3001 114.4617 -206041.2206 18032.6748 0.0000 0.0000 34392.8677 -148783.8847 300.3615 -183176.7525 -148690.3691 300.7672 138.4380 174.4306 559776.6810 -5.3388 -5.3504 PRESSURE: 4038600 -140.064 50.2688 110.089 50.2705 -123.864 9.26233 110.089 9.26289 -318.853 GPRESSURE: 4038600 -92.5638 121.275 124.164 32.2629 -119.369 -13.3653 107.508 -10.8787 -273.33 PRESSAVG: 4038600 -44.5293 21.4003 -5.06169 21.4004 14.9099 35.1595 -5.06166 35.1596 23.0444 GPRESSAVG: 4038600 -43.8792 23.2155 -0.418016 17.882 14.2758 32.0897 -7.32582 38.21 23.4135 TIMING: 4038600 CPU: 12115.4, 0.00303976/step Wall: 12115.4, 0.00303976/step, 0.811784 hours remaining, 207.968750 MB of memory in use. ENERGY: 4038600 762.5286 2074.7414 1951.1768 113.2078 -205714.2920 17571.8131 0.0000 0.0000 34262.6475 -148978.1768 299.2242 -183240.8243 -148885.2274 300.2874 -194.2607 -161.7542 559331.1775 -2.1916 -2.0633 PRESSURE: 4038800 111.277 45.1553 56.6501 45.1555 125.935 45.8592 56.6507 45.8584 10.5327 GPRESSURE: 4038800 145.976 30.1576 94.4839 155.857 132.436 -23.2827 -0.911964 186.981 55.2661 PRESSAVG: 4038800 30.3145 32.6344 17.5391 32.6344 -14.9214 31.5387 17.5391 31.5386 9.28722 GPRESSAVG: 4038800 29.6211 30.8225 15.9839 34.8824 -15.0479 32.7009 18.023 28.4238 9.98132 TIMING: 4038800 CPU: 12116, 0.00308476/step Wall: 12116, 0.00308476/step, 0.823631 hours remaining, 208.226562 MB of memory in use. ENERGY: 4038800 757.6985 2084.9827 1936.0750 113.3514 -206198.0753 18012.2440 0.0000 0.0000 34211.4447 -149082.2789 298.7771 -183293.7236 -148987.6687 300.0037 82.5818 111.2259 557799.4134 8.2268 8.1848 PRESSURE: 4039000 67.9413 39.4662 -29.7818 39.4653 60.2405 75.5242 -29.78 75.5249 -134.982 GPRESSURE: 4039000 107.951 129.18 -58.2286 -66.8579 66.8877 60.0503 -32.0329 96.4613 -81.7138 PRESSAVG: 4039000 -15.7528 72.0442 -33.8472 72.0441 9.17214 -32.6137 -33.8472 -32.6136 2.9116 GPRESSAVG: 4039000 -16.2921 72.8907 -34.7551 71.677 8.86834 -33.0391 -34.6749 -31.0151 3.60674 TIMING: 4039000 CPU: 12116.6, 0.00308042/step Wall: 12116.6, 0.00308042/step, 0.822301 hours remaining, 208.238281 MB of memory in use. ENERGY: 4039000 714.0582 2027.3800 1924.8479 104.6054 -205637.7673 17663.7160 0.0000 0.0000 34181.2349 -149021.9249 298.5132 -183203.1598 -148920.5424 299.2086 -2.2666 31.0416 558354.0563 -1.2230 -1.2723 PRESSURE: 4039200 25.8299 74.7818 117.348 74.7822 40.3904 45.2187 117.348 45.2192 22.5263 GPRESSURE: 4039200 53.792 70.0302 105.03 63.4727 89.4495 70.568 155.797 72.4436 35.7952 PRESSAVG: 4039200 -14.9974 37.7075 -5.30534 37.7075 -11.0992 -25.8565 -5.30535 -25.8565 10.0997 GPRESSAVG: 4039200 -14.3242 35.5725 -6.49893 37.3206 -11.3669 -25.2972 -2.52046 -25.2309 9.6109 TIMING: 4039200 CPU: 12117.2, 0.00307271/step Wall: 12117.2, 0.00307271/step, 0.820072 hours remaining, 208.238281 MB of memory in use. ENERGY: 4039200 748.8332 2106.1922 1963.5756 113.0429 -206055.7679 17681.9889 0.0000 0.0000 34478.3134 -148963.8218 301.1077 -183442.1352 -148873.0597 299.6634 29.5822 59.6789 557713.9236 -5.3323 -5.3601 PRESSURE: 4039400 78.8782 -25.3492 120.452 -25.3495 17.4847 255.894 120.451 255.895 51.6645 GPRESSURE: 4039400 74.7245 -17.9221 100.18 -39.3845 83.3817 231.649 54.5984 170.979 80.935 PRESSAVG: 4039400 60.4348 -10.0432 36.0204 -10.0431 -36.0258 15.9262 36.0205 15.9263 -60.5071 GPRESSAVG: 4039400 60.2036 -10.1933 35.8722 -8.86242 -36.0718 14.0875 34.5959 14.2456 -60.3634 TIMING: 4039400 CPU: 12117.8, 0.00305354/step Wall: 12117.8, 0.00305354/step, 0.814786 hours remaining, 208.238281 MB of memory in use. ENERGY: 4039400 758.6154 2067.9107 1945.5646 119.8059 -205863.4237 17873.0394 0.0000 0.0000 34204.3608 -148894.1268 298.7152 -183098.4876 -148803.8604 300.3067 49.3425 79.6804 557893.7353 -12.0327 -12.0772 PRESSURE: 4039600 -307.502 40.7791 7.98523 40.7804 -328.722 205.546 7.98516 205.545 -113.657 GPRESSURE: 4039600 -277.878 -15.4565 71.5716 -50.6535 -277.937 177.778 34.3851 163.807 -98.3839 PRESSAVG: 4039600 10.8693 17.1809 -62.8004 17.1808 -9.57491 21.6408 -62.8004 21.6407 27.012 GPRESSAVG: 4039600 10.8324 20.9752 -61.545 12.2476 -9.9676 23.4054 -62.2407 21.5387 27.1185 TIMING: 4039600 CPU: 12118.5, 0.00304691/step Wall: 12118.5, 0.00304691/step, 0.812849 hours remaining, 208.238281 MB of memory in use. ENERGY: 4039600 736.6494 2064.6948 1927.9962 119.6545 -205521.5094 17327.9755 0.0000 0.0000 34219.7187 -149124.8205 298.8493 -183344.5392 -149028.4426 298.9797 -249.9606 -218.0661 558175.7461 9.4355 9.3278 PRESSURE: 4039800 -36.4953 146.466 79.4721 146.467 -91.0651 99.2173 79.4723 99.2169 -494.393 GPRESSURE: 4039800 -19.9496 150.831 48.5183 222.702 -108.581 -3.38219 7.38606 189.301 -380.812 PRESSAVG: 4039800 -0.0095241 56.7316 8.85236 56.7316 43.0225 16.509 8.8525 16.5091 -7.22503 GPRESSAVG: 4039800 -0.423675 56.592 8.16466 59.0191 44.2284 15.5738 8.30167 15.4708 -8.15719 TIMING: 4039800 CPU: 12119.1, 0.00305395/step Wall: 12119.1, 0.00305395/step, 0.814557 hours remaining, 208.238281 MB of memory in use. ENERGY: 4039800 753.9777 2112.7021 1935.1236 112.3450 -205723.4981 17575.8738 0.0000 0.0000 34071.2261 -149162.2498 297.5525 -183233.4759 -149067.7717 299.5289 -207.3180 -169.7808 556939.5916 11.9293 11.8825 PRESSURE: 4040000 22.1614 -138.214 173.139 -138.214 -1.17529 -27.0564 173.14 -27.0562 15.0936 GPRESSURE: 4040000 -4.22113 -154.347 164.839 -140.283 61.1828 -111.038 161.16 3.82848 63.4176 PRESSAVG: 4040000 24.7091 -30.5879 -7.94741 -30.5879 -30.1974 108.72 -7.94734 108.72 -13.8163 GPRESSAVG: 4040000 23.7686 -31.5467 -6.48609 -30.9197 -29.8567 107.067 -8.31032 109.951 -13.5737 TIMING: 4040000 CPU: 12119.7, 0.00301594/step Wall: 12119.7, 0.00301594/step, 0.804251 hours remaining, 208.238281 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: 4040000 770.8814 2055.4413 1928.1729 112.5714 -205923.7783 17933.2335 0.0000 0.0000 34032.9752 -149090.5028 297.2184 -183123.4779 -148991.3696 298.9462 12.0266 40.1264 558382.8292 -6.4349 -6.5540 PRESSURE: 4040200 -119.397 -25.3378 152.364 -25.3391 -24.3277 -135.332 152.366 -135.332 2.90191 GPRESSURE: 4040200 -34.6011 -83.5478 250.799 -28.3599 -33.9595 -122.555 121.092 -108.467 9.41093 PRESSAVG: 4040200 -27.5644 26.5966 15.1665 26.5965 0.383145 66.5197 15.1666 66.5197 9.53531 GPRESSAVG: 4040200 -24.9498 27.0559 17.1788 26.888 -1.57381 68.6418 14.1193 66.2327 8.35993 TIMING: 4040200 CPU: 12120.3, 0.00306489/step Wall: 12120.3, 0.00306489/step, 0.817135 hours remaining, 208.238281 MB of memory in use. ENERGY: 4040200 725.9104 2120.3277 1939.7860 117.4046 -206158.8178 17694.8741 0.0000 0.0000 34267.1127 -149293.4023 299.2632 -183560.5151 -149199.4212 299.0541 -46.9408 -19.7166 557299.0634 -5.8820 -6.0546 LDB: ============= START OF LOAD BALANCING ============== 12123.7 LDB: ============== END OF LOAD BALANCING =============== 12123.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12123.7 LDB: ============= START OF LOAD BALANCING ============== 12124 LDB: Largest compute 4820 load 0.025577 is 21.7% of average load 0.118051 LDB: Average compute 0.001737 is 1.5% of average load 0.118051 LDB: TIME 12124 LOAD: AVG 0.118051 MAX 0.222529 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.512 MB LDB: TIME 12124 LOAD: AVG 0.118051 MAX 0.22253 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.711 MB LDB: TIME 12124 LOAD: AVG 0.118051 MAX 0.22253 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.711 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12124 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12124 PRESSURE: 4040400 -136.997 -99.0117 -62.4933 -99.0105 105.558 2.84685 -62.4944 2.84674 93.3489 GPRESSURE: 4040400 -17.4221 -95.0703 -72.2916 -81.3734 57.3226 2.64835 52.4307 -77.198 118.838 PRESSAVG: 4040400 -19.9167 5.56638 80.0448 5.56634 32.0458 31.5599 80.0448 31.56 -7.65599 GPRESSAVG: 4040400 -20.3182 3.81078 76.5022 6.16054 32.0743 31.8482 81.9659 31.1133 -6.84853 TIMING: 4040400 CPU: 12120.9, 0.00316169/step Wall: 12120.9, 0.00316169/step, 0.842766 hours remaining, 206.957031 MB of memory in use. ENERGY: 4040400 735.6143 2130.8528 1955.9857 104.4787 -206039.9956 17816.5843 0.0000 0.0000 34045.6533 -149250.8265 297.3292 -183296.4798 -149152.0700 298.9122 20.6369 52.9128 558681.7985 1.4910 1.6358 PRESSURE: 4040600 25.3634 0.726035 -165.289 0.726932 -68.8518 53.743 -165.288 53.7428 24.3643 GPRESSURE: 4040600 47.3354 10.5337 -145.281 29.3631 -17.4469 93.9532 -124.557 54.0667 48.3275 PRESSAVG: 4040600 82.5471 -35.2676 -1.12605 -35.2676 9.21304 -55.6378 -1.12601 -55.6379 -93.2063 GPRESSAVG: 4040600 81.4293 -35.4256 -3.71402 -34.6648 10.6968 -56.26 1.55661 -53.542 -93.4091 TIMING: 4040600 CPU: 12121.5, 0.00308364/step Wall: 12121.5, 0.00308364/step, 0.821789 hours remaining, 207.160156 MB of memory in use. ENERGY: 4040600 763.0250 2122.1834 1943.6988 109.8996 -206122.5280 17762.6750 0.0000 0.0000 34223.6087 -149197.4376 298.8833 -183421.0462 -149107.4232 298.9228 -6.3747 26.0720 557956.6019 -0.4820 -0.4277 PRESSURE: 4040800 196.698 -129.084 -155.195 -129.084 80.2444 -34.9938 -155.198 -34.9943 165.362 GPRESSURE: 4040800 268.427 -149.203 -117.094 -211.396 113.134 33.6334 -126.931 -113.318 159.707 PRESSAVG: 4040800 55.108 -16.5834 19.5226 -16.5835 -32.8809 -3.92769 19.5227 -3.92767 -51.6871 GPRESSAVG: 4040800 55.7446 -18.0663 22.5427 -14.3207 -34.1609 -4.33966 16.3351 -5.9836 -51.1911 TIMING: 4040800 CPU: 12122.1, 0.0030623/step Wall: 12122.1, 0.0030623/step, 0.815933 hours remaining, 207.160156 MB of memory in use. ENERGY: 4040800 709.2668 2042.2000 1934.7094 108.0783 -206149.0018 17854.1015 0.0000 0.0000 34168.7048 -149331.9410 298.4038 -183500.6458 -149235.4332 298.6372 147.4347 180.4230 555264.1614 -9.8200 -9.8691 PRESSURE: 4041000 -156.499 -82.5889 -32.4122 -82.5909 -139.345 22.4422 -32.4129 22.4427 -60.1109 GPRESSURE: 4041000 -54.0341 -110.706 21.5085 -110.997 -125.007 -0.89288 -70.2481 -65.0749 -79.7916 PRESSAVG: 4041000 83.536 -25.3109 -11.2296 -25.311 -56.1111 -21.3387 -11.2295 -21.3387 -38.7241 GPRESSAVG: 4041000 84.5631 -24.3963 -11.3283 -27.6794 -56.2122 -20.4871 -11.9543 -21.1322 -39.1459 TIMING: 4041000 CPU: 12122.8, 0.00312485/step Wall: 12122.8, 0.00312485/step, 0.832425 hours remaining, 207.160156 MB of memory in use. ENERGY: 4041000 742.6128 2035.0734 1971.9905 110.1097 -205902.6179 17632.2897 0.0000 0.0000 34239.2797 -149171.2621 299.0201 -183410.5418 -149070.8690 299.4262 -118.6517 -86.2777 557889.2128 -3.7664 -3.5983 PRESSURE: 4041200 10.4553 186.848 -45.0039 186.849 -123.867 66.4898 -45.0025 66.4903 -203.463 GPRESSURE: 4041200 -29.826 150.754 -79.2669 273.513 -59.7958 56.6313 22.0525 -26.4231 -124.526 PRESSAVG: 4041200 -28.2984 20.245 54.6821 20.2451 3.63011 61.473 54.6821 61.473 13.999 GPRESSAVG: 4041200 -29.6999 20.6211 56.8273 21.8904 3.77271 62.5358 54.3423 61.8027 15.2164 TIMING: 4041200 CPU: 12123.4, 0.00312567/step Wall: 12123.4, 0.00312567/step, 0.83247 hours remaining, 207.160156 MB of memory in use. ENERGY: 4041200 731.2550 2111.0320 1938.5937 118.2196 -206275.4483 17752.6142 0.0000 0.0000 34417.5303 -149206.2036 300.5769 -183623.7339 -149114.9050 299.2430 -105.6248 -71.3828 558097.5062 -3.5565 -3.5703 PRESSURE: 4041400 -72.0088 129.027 -95.9731 129.027 -50.437 145.402 -95.9737 145.403 -167.227 GPRESSURE: 4041400 37.1364 79.9476 -89.4104 183.346 -116.558 160.161 -98.5985 156.78 -116.534 PRESSAVG: 4041400 -23.6332 -4.06092 -42.9095 -4.06084 -57.8718 101.808 -42.9096 101.809 77.9993 GPRESSAVG: 4041400 -22.5183 -5.10911 -44.5355 -6.75423 -57.9798 100.611 -41.8867 100.923 77.014 TIMING: 4041400 CPU: 12124, 0.00310244/step Wall: 12124, 0.00310244/step, 0.82611 hours remaining, 207.160156 MB of memory in use. ENERGY: 4041400 770.6009 2151.8765 1953.0779 101.0423 -206124.0097 17751.6822 0.0000 0.0000 34362.0830 -149033.6469 300.0926 -183395.7300 -148943.3426 300.1707 -96.5576 -65.3184 558098.7104 -1.1686 -1.1614 PRESSURE: 4041600 -111.669 232.213 -6.88189 232.214 92.541 46.7104 -6.88211 46.7093 10.1588 GPRESSURE: 4041600 -40.6324 174.305 3.89268 150.073 124.208 43.2326 43.3985 -0.431681 6.37411 PRESSAVG: 4041600 -40.1745 19.7329 6.97737 19.7329 46.1952 -13.1741 6.97742 -13.1743 51.3131 GPRESSAVG: 4041600 -41.641 21.1314 5.93983 22.0601 47.6672 -14.4505 6.53736 -10.7932 51.457 TIMING: 4041600 CPU: 12124.6, 0.00310568/step Wall: 12124.6, 0.00310568/step, 0.8268 hours remaining, 207.160156 MB of memory in use. ENERGY: 4041600 781.2179 2043.3692 1943.8156 104.7891 -206054.5680 17904.9916 0.0000 0.0000 34190.2408 -149086.1439 298.5919 -183276.3847 -148988.8087 299.9720 -2.9898 29.9831 556290.3897 19.1113 19.1611 PRESSURE: 4041800 155.957 -70.2493 26.1467 -70.2499 -52.7552 -183.493 26.1458 -183.491 -67.6655 GPRESSURE: 4041800 227.931 -98.8418 -35.5217 -43.5781 -23.9257 -257.726 148.041 -176.808 -70.8561 PRESSAVG: 4041800 -17.3203 28.5636 -26.4043 28.5635 -6.35371 -79.0325 -26.4043 -79.0324 11.4781 GPRESSAVG: 4041800 -16.4075 28.6387 -22.7869 28.317 -7.32706 -80.1741 -26.5552 -79.1484 12.059 TIMING: 4041800 CPU: 12125.3, 0.00309747/step Wall: 12125.3, 0.00309747/step, 0.824443 hours remaining, 207.160156 MB of memory in use. ENERGY: 4041800 760.6572 2098.9314 1956.0873 123.1259 -206163.1651 17684.6179 0.0000 0.0000 34581.7821 -148957.9634 302.0113 -183539.7455 -148855.6538 300.4179 11.8456 44.3830 555616.6213 -4.0653 -3.8919 PRESSURE: 4042000 24.3967 -41.2303 15.8896 -41.2297 65.3413 -35.5441 15.8891 -35.5465 -154.718 GPRESSURE: 4042000 18.207 -53.8679 79.4797 -56.3448 129.71 -91.698 -73.8843 -80.7737 -107.229 PRESSAVG: 4042000 43.443 4.86775 13.344 4.86772 -48.2643 -42.1967 13.3441 -42.1967 -6.38131 GPRESSAVG: 4042000 41.2199 5.7545 11.3112 4.08648 -46.8806 -43.3967 12.8178 -42.1468 -5.91935 TIMING: 4042000 CPU: 12125.9, 0.00307849/step Wall: 12125.9, 0.00307849/step, 0.819221 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: 4042000 751.9855 2087.8726 1952.4572 119.6294 -206230.3348 17911.6386 0.0000 0.0000 34388.2063 -149018.5453 300.3208 -183406.7515 -148915.0784 300.1665 -21.6600 13.5627 558000.3504 -3.7342 -3.8600 PRESSURE: 4042200 -25.1056 110.82 128.741 110.82 73.3779 -173.101 128.74 -173.103 -41.3163 GPRESSURE: 4042200 -36.2971 218.264 179.357 105.672 132.128 -149.044 56.6512 -196.824 16.599 PRESSAVG: 4042200 -3.75839 -1.57566 39.7521 -1.57563 7.90839 -65.0377 39.7521 -65.0379 -5.12383 GPRESSAVG: 4042200 -1.94953 -3.421 39.9822 -1.18788 6.0422 -61.9201 39.4164 -67.2133 -5.77847 TIMING: 4042200 CPU: 12126.5, 0.00305055/step Wall: 12126.5, 0.00305055/step, 0.811617 hours remaining, 207.160156 MB of memory in use. ENERGY: 4042200 780.9510 2101.2346 1934.4034 114.8350 -205982.5096 17919.0419 0.0000 0.0000 34164.1208 -148967.9227 298.3638 -183132.0436 -148871.7331 299.7679 2.3187 37.4765 557749.1894 -0.3246 -0.5619 PRESSURE: 4042400 -273.667 11.7849 -51.4239 11.7846 -163.383 -40.6376 -51.4223 -40.6387 -63.7059 GPRESSURE: 4042400 -169.589 0.690745 -2.65028 84.2004 -170.737 6.22007 -96.1248 -20.3011 -78.7132 PRESSAVG: 4042400 -26.2374 30.3454 -24.1958 30.3454 14.4415 -93.6917 -24.1958 -93.6918 64.0298 GPRESSAVG: 4042400 -26.5775 32.176 -24.7499 30.1749 15.1901 -95.5263 -20.8787 -91.3697 63.7676 TIMING: 4042400 CPU: 12127.1, 0.00307775/step Wall: 12127.1, 0.00307775/step, 0.818681 hours remaining, 207.160156 MB of memory in use. ENERGY: 4042400 762.9087 2051.8308 1942.6608 121.5597 -205645.8116 17470.7613 0.0000 0.0000 34391.0994 -148904.9910 300.3460 -183296.0904 -148803.5440 300.3145 -166.9189 -139.6797 557232.4130 17.4113 17.4601 PRESSURE: 4042600 252.261 64.7883 -114.044 64.7882 38.871 -20.1929 -114.044 -20.1937 -16.9304 GPRESSURE: 4042600 239.995 60.9432 -70.2033 77.1143 96.7149 -19.0629 -121.285 37.386 23.0104 PRESSAVG: 4042600 25.9716 -2.07209 -70.5417 -2.07201 -17.4922 6.78781 -70.5418 6.78772 -29.1233 GPRESSAVG: 4042600 26.071 -2.68367 -70.9804 -2.38757 -17.7446 7.60856 -71.4722 5.06079 -29.2445 TIMING: 4042600 CPU: 12127.7, 0.0030289/step Wall: 12127.7, 0.0030289/step, 0.805518 hours remaining, 207.160156 MB of memory in use. ENERGY: 4042600 731.2786 2104.3841 1944.5558 123.2654 -205926.1207 17767.4935 0.0000 0.0000 34393.5127 -148861.6306 300.3671 -183255.1432 -148768.3573 300.6363 91.4007 119.9069 556198.8561 -6.8813 -6.9727 PRESSURE: 4042800 61.3629 80.4326 97.7418 80.4331 382.07 58.2062 97.7428 58.2061 178.917 GPRESSURE: 4042800 93.4104 140.762 77.7265 12.5208 364.151 96.3917 -12.2661 107.311 260.214 PRESSAVG: 4042800 -0.407023 23.5888 -19.2656 23.5889 37.2262 -25.3261 -19.2655 -25.3261 -15.276 GPRESSAVG: 4042800 -0.00960629 23.007 -19.9548 23.4066 37.3723 -25.1777 -19.8327 -24.0677 -15.8644 TIMING: 4042800 CPU: 12128.3, 0.00301739/step Wall: 12128.3, 0.00301739/step, 0.802289 hours remaining, 207.160156 MB of memory in use. ENERGY: 4042800 722.5962 2092.0809 1937.8576 104.5111 -206066.8638 17969.9077 0.0000 0.0000 34224.7230 -149015.1874 298.8930 -183239.9103 -148915.0520 300.3180 207.4502 239.2585 555948.3151 7.1810 7.1661 PRESSURE: 4043000 20.3369 -100.825 -132.188 -100.825 -63.5506 -107.279 -132.188 -107.28 187.079 GPRESSURE: 4043000 92.2692 -129.79 -115.472 -102.954 -17.6918 -108.843 -117.921 -112.505 178.139 PRESSAVG: 4043000 16.0394 -29.8523 28.7928 -29.8524 -9.86388 -20.7768 28.7927 -20.777 36.094 GPRESSAVG: 4043000 15.4128 -28.3556 29.957 -31.4756 -8.06555 -20.1805 29.048 -21.0721 35.4618 TIMING: 4043000 CPU: 12128.9, 0.00305019/step Wall: 12128.9, 0.00305019/step, 0.810842 hours remaining, 207.160156 MB of memory in use. ENERGY: 4043000 744.4458 2136.3140 1959.1118 126.8920 -206089.0321 17849.6825 0.0000 0.0000 34210.8848 -149061.7012 298.7722 -183272.5860 -148968.0224 299.6888 47.9552 84.2388 556141.3200 14.0898 14.2697 PRESSURE: 4043200 -20.5792 93.6183 -7.70523 93.6179 35.0293 44.5842 -7.70483 44.5842 -7.38992 GPRESSURE: 4043200 47.7509 102.479 -16.6017 64.0848 58.6504 -13.8648 -38.6709 81.5892 1.72262 PRESSAVG: 4043200 -39.118 -8.27565 -55.8224 -8.27568 51.9368 15.6882 -55.8225 15.6882 20.9047 GPRESSAVG: 4043200 -39.0774 -7.11845 -57.2201 -6.0758 51.3721 15.6857 -55.6389 16.333 21.6595 TIMING: 4043200 CPU: 12129.5, 0.00307034/step Wall: 12129.5, 0.00307034/step, 0.816029 hours remaining, 207.160156 MB of memory in use. ENERGY: 4043200 754.9571 2172.7120 1940.0022 119.8431 -206276.2988 17934.7771 0.0000 0.0000 34418.0132 -148935.9941 300.5811 -183354.0073 -148842.3029 299.8845 2.3534 36.0413 557626.8006 11.2412 11.3181 PRESSURE: 4043400 -26.1645 -68.9463 -194.716 -68.9466 -111.369 116.468 -194.715 116.468 -33.8299 GPRESSURE: 4043400 -9.16624 -54.901 -229.788 -77.3748 -124.421 141.072 -130.367 -1.36599 47.1197 PRESSAVG: 4043400 -23.1012 4.37625 -18.6417 4.37625 32.6693 63.0831 -18.6418 63.0831 22.6571 GPRESSAVG: 4043400 -23.1526 2.94999 -19.2051 5.06797 31.6972 63.8209 -16.2155 63.065 23.6035 TIMING: 4043400 CPU: 12130.1, 0.00307975/step Wall: 12130.1, 0.00307975/step, 0.818359 hours remaining, 207.160156 MB of memory in use. ENERGY: 4043400 747.9178 2139.3196 1945.0266 128.7995 -206431.4450 17788.7276 0.0000 0.0000 34592.8690 -149088.7849 302.1081 -183681.6539 -148985.7881 300.0987 -57.1211 -28.8226 556697.0100 10.7417 10.7160 PRESSURE: 4043600 364.477 -148.655 166.994 -148.655 249.167 105.884 166.995 105.885 93.1479 GPRESSURE: 4043600 399.787 -138.516 179.312 -155.739 282.964 71.5392 128.076 150.064 110.342 PRESSAVG: 4043600 6.13332 -42.0706 22.3872 -42.0706 30.0118 9.57787 22.3873 9.5779 -43.7338 GPRESSAVG: 4043600 7.24582 -40.8112 23.6121 -44.0813 29.3218 9.26321 19.9086 12.525 -44.7144 TIMING: 4043600 CPU: 12130.8, 0.003087/step Wall: 12130.8, 0.003087/step, 0.820112 hours remaining, 207.160156 MB of memory in use. ENERGY: 4043600 716.1467 2169.2625 1963.2841 118.1692 -206269.5484 17899.4120 0.0000 0.0000 34312.4863 -149090.7877 299.6595 -183403.2739 -149003.9577 300.1127 235.5974 264.3644 555034.1175 -2.5296 -2.7156 PRESSURE: 4043800 83.2293 -18.6214 130.283 -18.6209 -368.652 7.28841 130.284 7.28891 -8.48474 GPRESSURE: 4043800 59.0214 60.6598 126.141 -72.7618 -330.872 86.434 124.502 -19.4972 67.4761 PRESSAVG: 4043800 -10.3806 28.6574 12.6788 28.6575 -12.0242 -10.4442 12.6789 -10.4442 7.14196 GPRESSAVG: 4043800 -11.0485 28.39 12.7792 30.2791 -11.1696 -10.4311 13.2261 -14.267 7.19158 TIMING: 4043800 CPU: 12131.4, 0.00309179/step Wall: 12131.4, 0.00309179/step, 0.821214 hours remaining, 207.160156 MB of memory in use. ENERGY: 4043800 742.5874 2086.0089 1960.9409 131.4953 -205865.4900 17490.2880 0.0000 0.0000 34251.6003 -149202.5693 299.1277 -183454.1696 -149098.7302 299.4896 -97.9691 -68.1249 555181.8394 -5.0876 -5.0088 PRESSURE: 4044000 55.6693 -23.9433 -52.9897 -23.9443 68.43 -113.41 -52.99 -113.41 -2.5859 GPRESSURE: 4044000 98.1426 -0.972163 -162.642 -100.377 118.35 -37.6585 -64.3204 -153.219 2.49279 PRESSAVG: 4044000 1.24335 -4.08954 12.4126 -4.08956 -25.0688 -9.7989 12.4125 -9.7989 30.9621 GPRESSAVG: 4044000 1.53075 -5.20987 11.232 -6.69581 -25.6974 -10.8778 13.8094 -9.21179 31.5401 TIMING: 4044000 CPU: 12132, 0.0031224/step Wall: 12132, 0.0031224/step, 0.829172 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: 4044000 811.1279 2053.7315 1947.7056 107.1523 -205959.8564 17753.2000 0.0000 0.0000 34032.9989 -149253.9401 297.2186 -183286.9390 -149155.3091 298.9433 40.5045 72.9952 555860.0835 2.3789 2.4578 PRESSURE: 4044200 -23.8306 75.711 -13.2407 75.7108 -93.4539 -164.143 -13.2405 -164.143 -106.837 GPRESSURE: 4044200 -10.3595 144.037 -51.4455 -31.507 -84.4088 -127.153 -52.9608 -176.203 -28.2138 PRESSAVG: 4044200 -18.5346 -31.0276 -12.8503 -31.0277 15.5597 -22.4657 -12.8502 -22.4656 5.28277 GPRESSAVG: 4044200 -18.6085 -32.0161 -10.9087 -28.5183 15.2607 -19.6046 -14.8893 -23.3714 5.35804 TIMING: 4044200 CPU: 12132.6, 0.00308333/step Wall: 12132.6, 0.00308333/step, 0.818624 hours remaining, 207.160156 MB of memory in use. ENERGY: 4044200 737.4391 2086.5826 1928.6055 130.7649 -206320.3131 17633.9731 0.0000 0.0000 34611.0530 -149191.8949 302.2669 -183802.9479 -149086.9753 299.5067 -74.7070 -40.9941 555593.3161 0.7693 0.6701 LDB: ============= START OF LOAD BALANCING ============== 12136.1 LDB: ============== END OF LOAD BALANCING =============== 12136.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12136.1 LDB: ============= START OF LOAD BALANCING ============== 12136.4 LDB: Largest compute 4822 load 0.025074 is 21.2% of average load 0.118095 LDB: Average compute 0.001729 is 1.5% of average load 0.118095 LDB: TIME 12136.4 LOAD: AVG 0.118095 MAX 0.21917 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.242 MB LDB: TIME 12136.4 LOAD: AVG 0.118095 MAX 0.21917 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.484 MB LDB: TIME 12136.4 LOAD: AVG 0.118095 MAX 0.21917 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.484 MB LDB: ============== END OF LOAD BALANCING =============== 12136.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12136.4 PRESSURE: 4044400 -308.201 134.777 -97.0526 134.777 -493.767 19.4323 -97.0521 19.4306 -267.989 GPRESSURE: 4044400 -244.575 204.622 -120.188 94.0598 -435.426 80.2277 -53.5082 -28.62 -286.62 PRESSAVG: 4044400 49.6925 27.1109 -11.6441 27.1111 0.763719 -44.7418 -11.6442 -44.7418 8.97137 GPRESSAVG: 4044400 49.1663 28.0181 -14.0235 25.9911 0.99346 -47.5138 -9.50111 -43.9017 9.3268 TIMING: 4044400 CPU: 12133.2, 0.00311226/step Wall: 12133.2, 0.00311226/step, 0.826132 hours remaining, 208.015625 MB of memory in use. ENERGY: 4044400 774.1056 2075.3631 1951.0846 111.1415 -205708.8292 17228.2738 0.0000 0.0000 34268.7073 -149300.1532 299.2771 -183568.8605 -149198.6705 299.3753 -356.6522 -322.2070 557120.5108 19.8092 19.8288 PRESSURE: 4044600 96.8011 16.5825 -73.4556 16.5815 -102.56 -99.0182 -73.4551 -99.0171 76.5145 GPRESSURE: 4044600 133.463 -34.0785 -105.926 -8.7439 -75.0344 -118.726 -89.1085 -82.3741 117.61 PRESSAVG: 4044600 52.4732 8.41042 -60.1629 8.4104 -18.5484 13.449 -60.1629 13.4489 -45.4127 GPRESSAVG: 4044600 52.8944 8.99783 -58.4047 7.79005 -19.4742 15.1156 -60.0791 13.8895 -45.067 TIMING: 4044600 CPU: 12133.9, 0.00306951/step Wall: 12133.9, 0.00306951/step, 0.814615 hours remaining, 208.015625 MB of memory in use. ENERGY: 4044600 743.2833 2107.9686 1949.6670 116.4856 -206376.3626 17793.2718 0.0000 0.0000 34345.4528 -149320.2336 299.9474 -183665.6864 -149222.5079 299.6765 23.5853 58.6795 555065.7410 -3.8293 -3.8823 PRESSURE: 4044800 43.0148 134.256 -98.9317 134.255 163.675 182.348 -98.932 182.348 -49.9642 GPRESSURE: 4044800 95.2973 65.5639 -55.5103 130.927 186.122 136.59 -127.921 192.106 -25.7026 PRESSAVG: 4044800 85.9088 -5.48968 -15.6463 -5.48975 -13.1463 -9.79054 -15.6464 -9.79052 -75.8314 GPRESSAVG: 4044800 85.9779 -8.13724 -16.5952 -3.13485 -12.3933 -10.8556 -16.9973 -10.6803 -76.9374 TIMING: 4044800 CPU: 12134.5, 0.00308177/step Wall: 12134.5, 0.00308177/step, 0.817697 hours remaining, 208.015625 MB of memory in use. ENERGY: 4044800 765.0052 2048.6652 1944.0354 123.3987 -206505.9797 17936.1276 0.0000 0.0000 34421.4456 -149267.3019 300.6110 -183688.7475 -149173.0248 300.1384 52.2418 85.2389 554933.6111 -1.0230 -1.1176 PRESSURE: 4045000 -78.8574 -69.3326 -4.69532 -69.3328 -315.224 41.0271 -4.69601 41.0279 -60.2654 GPRESSURE: 4045000 -30.9061 -88.8283 20.0729 32.7472 -279.242 14.7056 -78.8545 13.2867 -48.6879 PRESSAVG: 4045000 42.1333 -43.5918 12.1437 -43.5918 6.63595 -11.6931 12.1437 -11.6932 -55.8635 GPRESSAVG: 4045000 41.1363 -41.141 12.2683 -44.1166 6.53257 -12.0039 12.7885 -12.7257 -54.8546 TIMING: 4045000 CPU: 12135.1, 0.00306716/step Wall: 12135.1, 0.00306716/step, 0.813651 hours remaining, 208.015625 MB of memory in use. ENERGY: 4045000 747.4875 2059.4666 1956.8906 106.4518 -206357.5520 17619.1902 0.0000 0.0000 34389.3450 -149478.7204 300.3307 -183868.0654 -149382.6639 299.6892 -151.4491 -119.6121 555437.8095 -2.3648 -2.3952 PRESSURE: 4045200 -29.6889 -80.296 -154.191 -80.2955 49.9074 -124.494 -154.19 -124.494 30.0179 GPRESSURE: 4045200 -16.1559 -96.8373 -103.488 -66.7037 138 -1.0262 -248.824 -147.172 33.3965 PRESSAVG: 4045200 45.0863 -57.1122 -0.127822 -57.1122 -12.2484 -9.55328 -0.1278 -9.55322 5.25186 GPRESSAVG: 4045200 44.5864 -58.3443 -0.591847 -56.097 -10.7687 -9.08397 0.00110903 -10.119 4.53493 TIMING: 4045200 CPU: 12135.7, 0.00305262/step Wall: 12135.7, 0.00305262/step, 0.809623 hours remaining, 208.015625 MB of memory in use. ENERGY: 4045200 752.0171 2096.6753 1967.1639 112.6066 -206584.0635 17867.3746 0.0000 0.0000 34110.4372 -149677.7887 297.8949 -183788.2259 -149582.4462 298.6021 16.7454 51.7467 555798.8354 12.6966 12.7842 PRESSURE: 4045400 147.159 -77.0585 -108.315 -77.0577 -23.1221 -7.86259 -108.316 -7.8641 48.1701 GPRESSURE: 4045400 211.787 -174.107 -110.701 -90.0616 -17.6943 -41.549 -96.0152 3.57712 68.4093 PRESSAVG: 4045400 -13.462 -73.4422 -16.4792 -73.4423 10.8508 1.2431 -16.4792 1.24314 11.0867 GPRESSAVG: 4045400 -11.8652 -72.4944 -16.6879 -74.5612 9.2809 -0.661645 -15.6009 4.35373 10.9472 TIMING: 4045400 CPU: 12136.3, 0.00304603/step Wall: 12136.3, 0.00304603/step, 0.807707 hours remaining, 208.015625 MB of memory in use. ENERGY: 4045400 773.2657 2166.9117 1918.3127 114.6393 -206757.0569 17935.5530 0.0000 0.0000 34060.0405 -149788.3341 297.4548 -183848.3746 -149696.8418 297.8587 57.4024 87.5006 556213.8490 2.8252 2.7877 PRESSURE: 4045600 -264.752 170.804 40.788 170.804 -70.9219 -51.2155 40.7887 -51.2145 -4.6368 GPRESSURE: 4045600 -191.164 147.608 -13.2377 191.397 -41.076 -37.6801 77.0928 -87.704 -16.9518 PRESSAVG: 4045600 39.7045 -14.1558 -17.6947 -14.1557 0.519271 -57.9581 -17.6947 -57.9581 -39.0437 GPRESSAVG: 4045600 38.9921 -15.3816 -18.0032 -10.6689 0.459643 -54.8338 -17.9916 -58.6245 -38.3545 TIMING: 4045600 CPU: 12136.9, 0.00306323/step Wall: 12136.9, 0.00306323/step, 0.812097 hours remaining, 208.015625 MB of memory in use. ENERGY: 4045600 772.6249 2011.0232 1959.7779 101.9737 -206734.7959 17778.1252 0.0000 0.0000 34462.1210 -149649.1501 300.9663 -184111.2710 -149547.3299 298.3249 -113.4368 -83.0638 556868.8372 0.3934 0.3658 PRESSURE: 4045800 -109.509 127.974 -64.5161 127.975 -24.9212 -56.7666 -64.5162 -56.7685 197.577 GPRESSURE: 4045800 -64.9098 31.3316 5.82907 111.389 -9.65023 -3.71292 -78.1091 -68.3235 226.54 PRESSAVG: 4045800 0.389251 37.151 -48.6929 37.151 -22.1609 -10.2954 -48.6929 -10.2953 45.9274 GPRESSAVG: 4045800 -0.50596 37.2506 -47.2474 33.6531 -21.7534 -11.3423 -51.1402 -10.8452 46.1737 TIMING: 4045800 CPU: 12137.5, 0.00306852/step Wall: 12137.5, 0.00306852/step, 0.813328 hours remaining, 208.015625 MB of memory in use. ENERGY: 4045800 738.3797 2084.0965 1963.0679 112.3759 -206552.3640 17922.0915 0.0000 0.0000 34383.3332 -149349.0194 300.2782 -183732.3525 -149242.2955 299.2162 21.0488 50.6601 556371.6777 8.0519 7.9714 PRESSURE: 4046000 -92.7657 -25.803 -132.664 -25.803 -60.0275 -39.5665 -132.664 -39.5659 162.744 GPRESSURE: 4046000 -59.7513 -14.0247 -117.214 -48.841 -57.9174 -40.6667 -124.527 -88.9753 218.72 PRESSAVG: 4046000 11.2583 1.22632 -23.3962 1.22633 -12.7655 -43.2864 -23.3962 -43.2863 -14.4263 GPRESSAVG: 4046000 10.8179 -0.459698 -23.9872 2.37226 -11.7561 -43.7683 -22.7169 -43.3872 -15.1196 TIMING: 4046000 CPU: 12138.1, 0.00305938/step Wall: 12138.1, 0.00305938/step, 0.810735 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: 4046000 749.2727 2108.7902 1931.9783 114.1883 -206112.1457 17831.7074 0.0000 0.0000 34139.8743 -149236.3344 298.1520 -183376.2087 -149141.7286 298.8228 3.3168 33.6837 557923.0989 -5.3112 -5.3526 PRESSURE: 4046200 257.824 -70.1549 -48.6265 -70.1562 99.2038 -36.5928 -48.6247 -36.5932 41.1712 GPRESSURE: 4046200 308.377 -25.9369 -9.01777 -28.629 155.227 25.4397 -130.916 -119.101 39.3201 PRESSAVG: 4046200 29.8159 -13.9523 -23.0654 -13.9521 -2.30608 -13.0055 -23.0653 -13.0055 -1.82286 GPRESSAVG: 4046200 30.7716 -13.0166 -21.1134 -15.2254 -1.82062 -13.0454 -24.3034 -13.6595 -3.18059 TIMING: 4046200 CPU: 12138.8, 0.00307298/step Wall: 12138.8, 0.00307298/step, 0.814168 hours remaining, 208.015625 MB of memory in use. ENERGY: 4046200 734.7590 2134.0241 1957.1646 112.7660 -206327.7502 17832.4525 0.0000 0.0000 34399.2224 -149157.3616 300.4170 -183556.5840 -149063.8531 299.2529 132.7329 167.6415 557125.4951 8.5623 8.5901 PRESSURE: 4046400 75.0063 -41.71 -7.2985 -41.7096 136.847 59.7278 -7.29937 59.7293 235.129 GPRESSURE: 4046400 126.054 -11.2488 -18.1032 -34.7436 138.42 37.7692 82.4098 37.2939 272.384 PRESSAVG: 4046400 -67.5126 5.51124 19.3591 5.51125 51.6599 -40.7415 19.359 -40.7414 -4.62604 GPRESSAVG: 4046400 -66.1501 8.19218 16.9604 5.7125 50.1396 -42.9093 21.0032 -39.8094 -4.1751 TIMING: 4046400 CPU: 12139.4, 0.0030627/step Wall: 12139.4, 0.0030627/step, 0.811276 hours remaining, 208.015625 MB of memory in use. ENERGY: 4046400 729.6150 2125.5415 1948.8449 120.7900 -206634.1780 18112.5334 0.0000 0.0000 34267.3485 -149329.5047 299.2653 -183596.8532 -149237.7981 299.5758 148.9940 178.9528 556863.9679 -6.8262 -6.7285 PRESSURE: 4046600 -150.569 37.8432 -96.8359 37.8432 8.53083 -84.1956 -96.8356 -84.1969 44.8333 GPRESSURE: 4046600 -91.436 56.258 -156.474 -6.3818 18.6537 -42.8068 -104.385 -154.65 80.2972 PRESSAVG: 4046600 -14.6554 -48.8521 73.8634 -48.8521 41.2691 4.81448 73.8633 4.81446 9.74597 GPRESSAVG: 4046600 -16.2119 -51.0642 74.8298 -49.5235 41.3767 8.37664 74.3123 3.92921 10.3645 TIMING: 4046600 CPU: 12140, 0.00305412/step Wall: 12140, 0.00305412/step, 0.808834 hours remaining, 208.015625 MB of memory in use. ENERGY: 4046600 744.7372 2128.3904 1960.6415 115.2899 -206440.4785 17815.6985 0.0000 0.0000 34438.1897 -149237.5313 300.7573 -183675.7210 -149137.2351 299.0416 -32.4017 2.5050 557493.1499 12.1199 11.8431 PRESSURE: 4046800 149.053 95.3221 40.8746 95.3227 70.7639 80.4031 40.8752 80.4047 -53.3342 GPRESSURE: 4046800 226.05 24.3985 64.8714 87.2185 92.3741 137.861 92.8961 40.1118 -48.3818 PRESSAVG: 4046800 14.1135 51.7715 0.747001 51.7714 -18.3906 76.5713 0.746927 76.5713 46.3543 GPRESSAVG: 4046800 13.3257 52.4419 -0.334695 51.6503 -17.9759 75.6261 1.3967 77.4428 46.9009 TIMING: 4046800 CPU: 12140.6, 0.00306151/step Wall: 12140.6, 0.00306151/step, 0.810619 hours remaining, 208.015625 MB of memory in use. ENERGY: 4046800 706.6987 2115.0170 1958.6914 116.1304 -205899.7543 17702.9101 0.0000 0.0000 34245.2072 -149055.0996 299.0719 -183300.3067 -148972.6406 298.5022 55.4941 90.0140 557989.6225 14.0258 14.0836 PRESSURE: 4047000 173.222 -215.87 -6.0772 -215.871 84.4214 9.97266 -6.07654 9.97446 97.6065 GPRESSURE: 4047000 186.804 -219.412 63.8339 -259.446 125.012 -18.6538 -44.7436 -36.1915 143.288 PRESSAVG: 4047000 59.1599 -21.9209 15.6451 -21.921 -42.3743 46.5408 15.6451 46.5408 19.0969 GPRESSAVG: 4047000 58.711 -20.895 17.4396 -20.4614 -42.8809 48.4846 14.5947 45.9332 19.6855 TIMING: 4047000 CPU: 12141.2, 0.00308551/step Wall: 12141.2, 0.00308551/step, 0.816802 hours remaining, 208.015625 MB of memory in use. ENERGY: 4047000 742.0091 2124.1819 1955.2630 115.8371 -206474.7176 18157.1167 0.0000 0.0000 34268.0154 -149112.2943 299.2711 -183380.3097 -149009.9930 298.8241 118.4166 151.7015 558691.0717 11.9608 11.8385 PRESSURE: 4047200 -270.74 53.2371 28.8795 53.2371 -86.9583 -94.2866 28.8797 -94.2871 2.92422 GPRESSURE: 4047200 -141.139 11.8062 75.3153 117.314 -114.615 -57.8443 -60.3777 -128.551 4.36483 PRESSAVG: 4047200 4.80944 6.0094 20.2232 6.0093 -65.7198 19.275 20.2234 19.275 -5.4806 GPRESSAVG: 4047200 4.82178 4.75348 18.51 7.32688 -65.3365 16.6983 19.8322 19.6567 -6.18961 TIMING: 4047200 CPU: 12141.8, 0.0030888/step Wall: 12141.8, 0.0030888/step, 0.817502 hours remaining, 208.015625 MB of memory in use. ENERGY: 4047200 768.9701 2107.3590 1929.9321 119.2898 -206163.7226 17730.3814 0.0000 0.0000 34335.4827 -149172.3073 299.8603 -183507.7901 -149087.9596 299.1196 -118.2580 -83.7965 558238.2440 -22.1303 -22.2348 PRESSURE: 4047400 -176.215 -6.2786 105.393 -6.27965 -86.2633 25.5843 105.393 25.5838 -10.6646 GPRESSURE: 4047400 -143.697 -61.1785 139.178 43.2071 -110.463 47.8098 114.143 33.8373 76.1032 PRESSAVG: 4047400 38.3074 -53.284 23.3974 -53.2841 -13.9761 10.7242 23.3973 10.7241 -3.37174 GPRESSAVG: 4047400 38.3732 -51.7281 21.9818 -56.5522 -14.2215 11.9759 24.43 10.6782 -2.15724 TIMING: 4047400 CPU: 12142.4, 0.003092/step Wall: 12142.4, 0.003092/step, 0.818179 hours remaining, 208.015625 MB of memory in use. ENERGY: 4047400 749.3289 2086.9703 1929.4305 122.2527 -205983.0905 17646.2248 0.0000 0.0000 34358.3598 -149090.5236 300.0601 -183448.8834 -148987.8225 299.7183 -91.0477 -59.3521 558140.3111 6.9865 7.3315 PRESSURE: 4047600 -81.0815 -200.223 42.5233 -200.221 126.053 -17.4884 42.5229 -17.4892 -144.829 GPRESSURE: 4047600 -13.8655 -210.272 -26.0509 -158.216 150.317 -0.456149 159.458 -79.4162 -147.001 PRESSAVG: 4047600 -23.6489 0.800558 69.6089 0.800488 -28.6088 36.5338 69.6088 36.5337 64.6539 GPRESSAVG: 4047600 -23.0934 0.0322318 72.0404 3.491 -28.3088 35.4124 66.8697 36.6031 63.9499 TIMING: 4047600 CPU: 12143.1, 0.00310096/step Wall: 12143.1, 0.00310096/step, 0.820376 hours remaining, 208.015625 MB of memory in use. ENERGY: 4047600 763.9522 2104.2762 1911.1140 127.3180 -205755.5935 17699.1890 0.0000 0.0000 34315.9004 -148833.8437 299.6893 -183149.7441 -148734.6324 300.2951 -33.2858 -3.5166 559885.1828 4.1321 4.1826 PRESSURE: 4047800 15.8127 37.3891 65.927 37.3889 -281.29 -157.396 65.9272 -157.394 -192.595 GPRESSURE: 4047800 -35.6296 -64.9597 31.9003 5.31012 -224.269 -145.532 157.551 -183.948 -111.047 PRESSAVG: 4047800 44.294 11.6806 69.4156 11.6805 -5.03857 -76.9702 69.4155 -76.9703 -5.82194 GPRESSAVG: 4047800 44.8451 10.0409 67.773 12.7377 -4.82015 -74.9558 71.6377 -77.5117 -6.30908 TIMING: 4047800 CPU: 12143.7, 0.00306208/step Wall: 12143.7, 0.00306208/step, 0.80992 hours remaining, 208.015625 MB of memory in use. ENERGY: 4047800 714.7403 2081.3611 1944.6772 125.0368 -205322.7197 17229.4107 0.0000 0.0000 34452.1959 -148775.2977 300.8796 -183227.4936 -148676.1605 300.8456 -152.6908 -123.6487 557512.0752 11.1445 11.2386 PRESSURE: 4048000 2.99039 91.8647 -213.243 91.8643 -58.2031 51.1773 -213.244 51.1765 -188.736 GPRESSURE: 4048000 34.9112 87.6114 -191.606 43.274 -6.47327 -31.4132 -234.225 153.739 -177.749 PRESSAVG: 4048000 38.6794 38.8922 -33.9037 38.8923 -56.8412 -23.3172 -33.9036 -23.3172 -2.59456 GPRESSAVG: 4048000 37.8214 38.401 -35.0113 38.4341 -56.8677 -23.0534 -32.587 -24.1318 -1.71237 TIMING: 4048000 CPU: 12144.3, 0.00305215/step Wall: 12144.3, 0.00305215/step, 0.807125 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: 4048000 753.1895 2137.4264 1942.6404 117.6227 -205847.8930 17573.1513 0.0000 0.0000 34528.5756 -148795.2870 301.5466 -183323.8626 -148705.3430 300.8892 -81.3161 -49.7703 557606.1514 -6.9188 -6.9195 PRESSURE: 4048200 -223.539 195.789 -69.4358 195.789 -56.0231 1.40584 -69.4355 1.40754 54.9371 GPRESSURE: 4048200 -151.433 197.252 -75.9422 194.383 24.679 32.6424 -50.7804 -49.2395 8.90974 PRESSAVG: 4048200 26.6966 -9.27453 18.7269 -9.27447 2.4614 -25.2783 18.7269 -25.2783 -7.51573 GPRESSAVG: 4048200 27.7775 -8.40693 20.4409 -8.71474 1.78697 -26.1365 15.9689 -23.6669 -7.79896 TIMING: 4048200 CPU: 12144.9, 0.00307088/step Wall: 12144.9, 0.00307088/step, 0.811906 hours remaining, 208.015625 MB of memory in use. ENERGY: 4048200 753.0272 2113.5551 1926.5874 114.6918 -205524.9691 17665.0475 0.0000 0.0000 34198.7151 -148753.3451 298.6659 -182952.0602 -148662.3365 300.4948 -74.8749 -39.2815 558938.0303 7.2141 7.2552 LDB: ============= START OF LOAD BALANCING ============== 12148.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12148.3 LDB: =============== DONE WITH MIGRATION ================ 12148.3 LDB: ============= START OF LOAD BALANCING ============== 12148.6 LDB: Largest compute 4820 load 0.027707 is 23.5% of average load 0.118088 LDB: Average compute 0.001734 is 1.5% of average load 0.118088 LDB: TIME 12148.7 LOAD: AVG 0.118088 MAX 0.218784 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.297 MB LDB: TIME 12148.7 LOAD: AVG 0.118088 MAX 0.218784 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.297 MB LDB: TIME 12148.7 LOAD: AVG 0.118088 MAX 0.218784 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.297 MB LDB: ============== END OF LOAD BALANCING =============== 12148.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12148.7 PRESSURE: 4048400 -139.445 -92.1193 -78.5635 -92.1183 -107.819 6.13829 -78.5639 6.14007 204.548 GPRESSURE: 4048400 -96.7458 -189.076 -28.9169 -102.746 -64.9631 -51.6228 -123.59 -16.7289 215.567 PRESSAVG: 4048400 38.3594 -8.63489 73.4984 -8.63482 -30.2072 5.37728 73.4983 5.37733 -28.1308 GPRESSAVG: 4048400 38.4033 -8.10707 71.709 -8.70535 -30.6334 4.4117 75.6384 3.85328 -27.5389 TIMING: 4048400 CPU: 12145.5, 0.00312883/step Wall: 12145.5, 0.00312882/step, 0.827053 hours remaining, 207.824219 MB of memory in use. ENERGY: 4048400 734.6427 2106.3165 1952.1818 127.2689 -205851.8558 17754.5420 0.0000 0.0000 34316.8073 -148860.0967 299.6972 -183176.9039 -148757.8741 300.4699 -14.2390 17.9527 556632.6617 -6.6595 -6.5897 PRESSURE: 4048600 7.41405 95.0279 -10.8654 95.0287 -204.576 92.3095 -10.8657 92.3086 71.7887 GPRESSURE: 4048600 36.9026 20.3283 -53.5263 128.629 -129.875 177.778 41.0071 41.6051 56.2798 PRESSAVG: 4048600 6.72499 39.841 -8.87324 39.841 -23.8826 14.4886 -8.87339 14.4886 50.2863 GPRESSAVG: 4048600 4.81886 40.709 -7.0186 37.5539 -22.2148 13.8747 -8.091 17.0143 50.4668 TIMING: 4048600 CPU: 12146.1, 0.00304183/step Wall: 12146.1, 0.00304183/step, 0.803888 hours remaining, 208.027344 MB of memory in use. ENERGY: 4048600 772.4053 2126.4439 1964.1282 124.8455 -206025.5124 17743.0233 0.0000 0.0000 34347.4524 -148947.2139 299.9648 -183294.6664 -148852.0678 300.0292 -41.7910 -12.2307 556632.3664 11.0429 11.0236 PRESSURE: 4048800 166.532 -130.638 -31.7836 -130.639 287.527 54.2569 -31.7839 54.2572 127.352 GPRESSURE: 4048800 218.503 -269.164 -90.448 -13.8148 259.205 20.7744 13.1514 84.9207 193.19 PRESSAVG: 4048800 10.197 9.02601 54.7585 9.02609 39.4653 7.9116 54.7585 7.91165 -71.0794 GPRESSAVG: 4048800 10.5375 9.09008 54.0715 11.2198 39.2037 9.61535 54.3044 3.77039 -71.3051 TIMING: 4048800 CPU: 12146.7, 0.00301217/step Wall: 12146.7, 0.00301217/step, 0.795883 hours remaining, 208.027344 MB of memory in use. ENERGY: 4048800 750.2749 2110.8473 1947.4035 118.3854 -206438.2990 17997.7148 0.0000 0.0000 34478.1526 -149035.5205 301.1063 -183513.6731 -148937.6488 299.7987 193.8037 223.6328 555771.5548 -7.1390 -7.1880 PRESSURE: 4049000 139.05 10.1801 0.239232 10.1803 32.4223 76.0624 0.24 76.0622 152.034 GPRESSURE: 4049000 89.1011 -76.2862 18.5529 32.8804 85.4483 -8.00412 -14.6821 149.615 253.483 PRESSAVG: 4049000 -10.6836 16.8166 16.6307 16.8166 -7.95373 -15.0301 16.6307 -15.0302 51.7431 GPRESSAVG: 4049000 -10.3543 17.1395 15.5197 16.3818 -7.95895 -17.7665 15.132 -12.0382 51.1797 TIMING: 4049000 CPU: 12147.3, 0.00304638/step Wall: 12147.3, 0.00304638/step, 0.804753 hours remaining, 208.027344 MB of memory in use. ENERGY: 4049000 716.4501 2061.3257 1965.4234 115.2563 -206232.6031 17989.6678 0.0000 0.0000 34236.7610 -149147.7188 298.9981 -183384.4798 -149054.4419 299.9398 107.8353 142.6776 557440.1140 11.0353 10.9555 PRESSURE: 4049200 -69.8842 29.3661 -0.657547 29.3655 158.383 -40.8179 -0.657312 -40.8184 -328.378 GPRESSURE: 4049200 4.9716 89.4721 22.8356 -55.4127 100.698 -60.9603 -18.2247 5.91848 -248.672 PRESSAVG: 4049200 14.5391 -48.5521 2.44995 -48.5521 13.8335 -4.82808 2.45 -4.82808 38.529 GPRESSAVG: 4049200 15.2383 -51.014 4.50318 -49.1779 12.2172 -4.12838 3.09701 -4.58885 39.2095 TIMING: 4049200 CPU: 12148, 0.00305721/step Wall: 12148, 0.00305721/step, 0.807444 hours remaining, 208.027344 MB of memory in use. ENERGY: 4049200 747.9990 2115.7244 1932.5763 117.0653 -206361.3635 17685.0444 0.0000 0.0000 34477.1324 -149285.8218 301.0974 -183762.9542 -149187.5660 299.0702 -79.9596 -47.6674 556787.7806 22.3005 22.2216 PRESSURE: 4049400 -102.566 8.19409 -114.207 8.19412 128.46 3.2056 -114.209 3.2055 -199.709 GPRESSURE: 4049400 -79.7356 28.7569 -113.689 -65.4002 163.727 41.1479 -119.854 -56.5695 -154.664 PRESSAVG: 4049400 -43.8231 1.83035 34.5922 1.83042 30.5902 -53.1864 34.5923 -53.1863 4.74812 GPRESSAVG: 4049400 -43.3961 3.34277 34.1038 3.51644 31.5992 -52.203 33.6542 -53.7114 3.27005 TIMING: 4049400 CPU: 12148.6, 0.00306904/step Wall: 12148.6, 0.00306904/step, 0.810397 hours remaining, 208.027344 MB of memory in use. ENERGY: 4049400 760.5200 2065.9568 1933.4100 108.0520 -205691.6616 17443.0282 0.0000 0.0000 34204.0966 -149176.5980 298.7129 -183380.6945 -149074.8918 299.4976 -57.9383 -23.5574 555943.0130 -2.8282 -2.8423 PRESSURE: 4049600 361.235 -62.8924 131.383 -62.8915 19.5611 -55.4903 131.382 -55.4898 253.766 GPRESSURE: 4049600 416.853 -79.9378 126.987 -41.4022 44.3749 -5.54111 74.413 -91.6991 270.242 PRESSAVG: 4049600 44.244 -14.7934 -26.2522 -14.7933 -51.9955 2.96498 -26.2522 2.96491 22.2667 GPRESSAVG: 4049600 42.9298 -15.0888 -27.5169 -15.5018 -50.9863 2.8303 -25.1411 1.95905 22.0611 TIMING: 4049600 CPU: 12149.2, 0.0030988/step Wall: 12149.2, 0.0030988/step, 0.818084 hours remaining, 208.027344 MB of memory in use. ENERGY: 4049600 742.0322 2068.6881 1962.7650 120.0330 -206221.5018 17939.0154 0.0000 0.0000 34178.7950 -149210.1732 298.4919 -183388.9682 -149116.0413 298.7007 211.5210 243.8234 555614.3069 4.8384 4.6682 PRESSURE: 4049800 -261.484 -121.46 90.0319 -121.46 -126.187 188.171 90.0324 188.17 -197.995 GPRESSURE: 4049800 -215.653 -160.739 26.0939 -200.993 -102.789 199.7 137.557 156.001 -164.826 PRESSAVG: 4049800 -28.2776 6.9922 40.8781 6.99227 34.9211 4.20905 40.8781 4.209 -20.619 GPRESSAVG: 4049800 -28.9092 7.13966 42.7599 6.74105 34.4753 4.73148 41.6173 3.91726 -19.0675 TIMING: 4049800 CPU: 12149.8, 0.00304206/step Wall: 12149.8, 0.00304206/step, 0.802935 hours remaining, 208.027344 MB of memory in use. ENERGY: 4049800 752.9621 2075.3625 1931.1494 111.8365 -205783.8606 17515.5238 0.0000 0.0000 34187.1168 -149209.9094 298.5646 -183397.0263 -149111.1985 299.3361 -195.2220 -161.0893 557859.1645 -4.6585 -4.5005 PRESSURE: 4050000 146.864 1.62281 -1.45938 1.62259 -108.143 -82.9306 -1.45884 -82.9293 -116.473 GPRESSURE: 4050000 110.182 -62.6326 -107.103 33.7502 -85.2401 -160.642 67.0044 -96.5307 0.513645 PRESSAVG: 4050000 -22.7843 39.965 44.663 39.965 49.2285 -5.26877 44.663 -5.26877 -4.67559 GPRESSAVG: 4050000 -20.4437 40.4069 42.7527 39.1538 48.1144 -6.67914 45.7075 -3.11866 -5.78766 TIMING: 4050000 CPU: 12150.4, 0.00302006/step Wall: 12150.4, 0.00302006/step, 0.796961 hours remaining, 208.027344 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: 4050000 738.2084 2100.4325 1950.9734 100.6332 -206291.1667 17730.4204 0.0000 0.0000 34211.6922 -149458.8066 298.7792 -183670.4988 -149365.4615 298.7392 -25.9173 8.4853 556754.2439 7.2562 7.2944 PRESSURE: 4050200 -2.80103 -157.488 -183.975 -157.489 -173.217 131.831 -183.974 131.831 -31.0032 GPRESSURE: 4050200 20.8147 -210.816 -106.63 -150.892 -121.093 65.1532 -140.816 173.305 -6.9659 PRESSAVG: 4050200 27.4904 6.1271 -45.7947 6.12703 -10.5319 72.0267 -45.7946 72.0267 -16.4931 GPRESSAVG: 4050200 24.7205 7.07013 -45.5852 5.64174 -8.75119 72.5725 -45.2442 70.6557 -15.6933 TIMING: 4050200 CPU: 12151, 0.00303764/step Wall: 12151, 0.00303764/step, 0.801431 hours remaining, 208.027344 MB of memory in use. ENERGY: 4050200 763.7388 2066.3108 1939.0334 123.1779 -206276.1853 17693.3997 0.0000 0.0000 34248.9590 -149441.5657 299.1047 -183690.5247 -149347.1817 298.3363 -69.0071 -35.7479 555139.2706 0.1551 0.0920 PRESSURE: 4050400 74.4322 83.481 -59.662 83.4825 57.2975 156.742 -59.6631 156.743 3.05225 GPRESSURE: 4050400 178.764 181.749 -102.413 62.7788 96.0909 172.457 -60.6563 142.227 -48.6457 PRESSAVG: 4050400 12.5514 -19.312 -26.0361 -19.3121 32.5644 -19.4357 -26.0361 -19.4358 -18.4373 GPRESSAVG: 4050400 13.3582 -22.0119 -24.8869 -17.2725 31.8271 -18.4885 -28.642 -19.6154 -19.0032 TIMING: 4050400 CPU: 12151.6, 0.00303254/step Wall: 12151.6, 0.00303254/step, 0.799918 hours remaining, 208.027344 MB of memory in use. ENERGY: 4050400 742.3729 2130.3062 1958.6073 107.1222 -206498.9270 17928.7667 0.0000 0.0000 34192.0475 -149439.7043 298.6077 -183631.7517 -149348.5105 298.8081 44.9273 75.4030 556368.0045 8.8929 8.7273 PRESSURE: 4050600 -181.978 -76.5092 17.585 -76.5083 62.3795 -83.5728 17.585 -83.5709 -120.516 GPRESSURE: 4050600 -152.927 -88.2911 -34.0787 7.14173 102.985 -37.8888 39.6511 -102.142 -76.7091 PRESSAVG: 4050600 -20.4246 41.0404 -81.3264 41.0404 22.2772 -7.48207 -81.3263 -7.48197 -2.37775 GPRESSAVG: 4050600 -19.7032 42.9929 -81.6035 41.0578 21.3642 -8.2217 -79.7717 -7.40479 -2.54046 TIMING: 4050600 CPU: 12152.2, 0.00306341/step Wall: 12152.2, 0.00306341/step, 0.80789 hours remaining, 208.027344 MB of memory in use. ENERGY: 4050600 719.5039 2087.1115 1950.6699 115.3881 -206083.0910 17624.8463 0.0000 0.0000 34225.0172 -149360.5541 298.8956 -183585.5713 -149267.2645 298.2950 -80.0381 -42.2173 557391.6298 -0.1750 -0.2932 PRESSURE: 4050800 -235.551 -164.22 -101.311 -164.22 -13.8105 -56.5527 -101.311 -56.5538 63.5244 GPRESSURE: 4050800 -206.814 -154.094 -59.5264 -164.026 -29.4352 -120.193 -94.1429 32.3543 148.068 PRESSAVG: 4050800 -10.7998 -13.5355 -57.7137 -13.5354 51.2305 -37.3097 -57.7136 -37.3097 -13.1228 GPRESSAVG: 4050800 -11.4144 -13.9681 -58.0481 -13.7661 52.2068 -39.0296 -57.5324 -38.9379 -13.2058 TIMING: 4050800 CPU: 12152.8, 0.00303056/step Wall: 12152.8, 0.00303056/step, 0.799057 hours remaining, 208.027344 MB of memory in use. ENERGY: 4050800 755.4123 2049.4622 1939.7556 110.4551 -206170.8874 17863.6513 0.0000 0.0000 34093.5074 -149358.6435 297.7471 -183452.1509 -149261.4577 298.2995 -61.9458 -29.3938 557917.6635 9.1026 9.1955 PRESSURE: 4051000 33.7393 153.573 55.4189 153.574 18.5734 -79.4788 55.4187 -79.4798 -134.352 GPRESSURE: 4051000 112.785 175.727 72.2541 50.4045 -21.321 -135.697 0.0197234 -95.1267 -69.7976 PRESSAVG: 4051000 60.3032 -12.6452 -21.0203 -12.6451 -57.4481 15.4525 -21.0203 15.4525 10.4257 GPRESSAVG: 4051000 59.1023 -12.7682 -20.5356 -12.5618 -56.986 17.3261 -23.1871 16.0889 11.7543 TIMING: 4051000 CPU: 12153.4, 0.00304671/step Wall: 12153.4, 0.00304671/step, 0.803147 hours remaining, 208.027344 MB of memory in use. ENERGY: 4051000 756.0928 2077.4724 1983.2888 125.5215 -205884.7366 17646.9952 0.0000 0.0000 34064.8332 -149230.5327 297.4967 -183295.3659 -149137.0905 299.1824 -27.3464 7.2220 557325.7731 4.4269 4.6235 PRESSURE: 4051200 -269.879 -52.931 167.564 -52.933 -253.243 -22.4352 167.564 -22.4362 -241.242 GPRESSURE: 4051200 -198.98 -75.7911 188.447 3.47512 -216.845 23.0241 93.5484 -35.4793 -249.827 PRESSAVG: 4051200 52.731 13.1223 4.19388 13.1222 -101.791 -13.7463 4.19379 -13.7463 48.1814 GPRESSAVG: 4051200 54.3958 12.8251 2.2792 11.8533 -103.352 -15.512 8.59929 -12.4915 47.6169 TIMING: 4051200 CPU: 12154.1, 0.00303394/step Wall: 12154.1, 0.00303394/step, 0.799613 hours remaining, 208.027344 MB of memory in use. ENERGY: 4051200 787.0511 2136.0491 1961.2672 123.5889 -205836.3036 17327.4021 0.0000 0.0000 34271.4272 -149229.5179 299.3009 -183500.9451 -149128.4633 298.6953 -254.7881 -221.8838 557511.7581 -0.2927 -0.4465 PRESSURE: 4051400 116.771 -75.2089 -60.8726 -75.2088 -59.5664 -181.548 -60.8735 -181.549 -58.1677 GPRESSURE: 4051400 144.598 -58.6818 -109.31 7.65648 -5.96647 -166.437 -60.544 -126.412 -43.1428 PRESSAVG: 4051400 -56.7624 22.6786 6.24802 22.6787 -25.0227 -28.5299 6.24796 -28.5299 70.4998 GPRESSAVG: 4051400 -56.4269 23.8563 7.58538 22.8621 -24.5919 -29.5293 4.27159 -26.7293 69.9406 TIMING: 4051400 CPU: 12154.7, 0.00302927/step Wall: 12154.7, 0.00302927/step, 0.798212 hours remaining, 208.027344 MB of memory in use. ENERGY: 4051400 737.8338 2066.3959 1953.8153 119.4905 -206171.1808 17956.3690 0.0000 0.0000 33937.2775 -149399.9989 296.3827 -183337.2764 -149310.0968 298.5924 -0.3210 31.8296 557541.5809 -3.7618 -3.6927 PRESSURE: 4051600 -54.9499 163.311 -102.589 163.311 -77.6838 -112.901 -102.589 -112.903 -78.8474 GPRESSURE: 4051600 -34.3739 161.503 -133.198 122.857 -19.6516 -199.791 -63.1554 -153.649 -42.0616 PRESSAVG: 4051600 -7.64639 71.6319 1.81922 71.632 -4.69821 -4.53902 1.81913 -4.53907 -23.8893 GPRESSAVG: 4051600 -8.0293 71.6038 2.92573 71.837 -3.64721 -3.41556 0.356304 -6.37332 -24.5379 TIMING: 4051600 CPU: 12155.3, 0.00305253/step Wall: 12155.3, 0.00305253/step, 0.804173 hours remaining, 208.027344 MB of memory in use. ENERGY: 4051600 726.1404 2081.1172 1925.7552 103.9433 -205887.2323 17690.2117 0.0000 0.0000 34280.5406 -149079.5239 299.3805 -183360.0645 -148982.0439 299.2872 -70.4937 -32.0290 557943.1817 -12.0780 -12.0715 PRESSURE: 4051800 21.9114 -112.395 65.6303 -112.396 119.374 -137.116 65.6305 -137.116 -76.8035 GPRESSURE: 4051800 46.4239 -78.2281 119.385 -79.0149 123.383 -28.0747 -6.83436 -143.723 -2.63329 PRESSAVG: 4051800 -3.95457 -2.02199 2.9213 -2.02196 78.9244 -46.4444 2.92123 -46.4444 -66.7795 GPRESSAVG: 4051800 -2.5394 0.865558 2.40793 -3.40936 78.2182 -41.9342 4.04008 -47.0844 -67.7096 TIMING: 4051800 CPU: 12155.9, 0.00306214/step Wall: 12155.9, 0.00306214/step, 0.806535 hours remaining, 208.027344 MB of memory in use. ENERGY: 4051800 747.4563 2060.4493 1940.7123 124.2774 -205938.9085 17769.8376 0.0000 0.0000 34461.1006 -148835.0750 300.9574 -183296.1756 -148741.4030 299.7857 21.4940 55.7245 557968.3358 2.7301 2.6564 PRESSURE: 4052000 -190.26 -4.657 -162.211 -4.65692 -163.457 -47.9446 -162.209 -47.9462 -42.6146 GPRESSURE: 4052000 -201.718 7.68106 -95.8363 -10.466 -103.839 -27.2217 -183.549 -120.04 2.85003 PRESSAVG: 4052000 1.62126 14.2733 -35.5669 14.2733 1.49204 37.9538 -35.5669 37.9538 -36.362 GPRESSAVG: 4052000 1.06263 11.2591 -33.9523 15.783 1.01584 34.5923 -37.0501 39.6486 -35.756 TIMING: 4052000 CPU: 12156.5, 0.00305718/step Wall: 12156.5, 0.00305718/step, 0.805058 hours remaining, 208.027344 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: 4052000 768.3027 2060.8430 1946.1869 110.8256 -205500.9027 17466.7334 0.0000 0.0000 34255.8348 -148892.1764 299.1647 -183148.0112 -148792.0864 299.8606 -132.1105 -100.9025 557711.3116 -11.0829 -11.2258 PRESSURE: 4052200 34.3862 6.84317 -45.471 6.84391 248.442 61.956 -45.4705 61.9571 -194.285 GPRESSURE: 4052200 64.3355 4.98786 -72.5357 9.40455 264.506 -38.6559 -15.0518 56.6364 -155.929 PRESSAVG: 4052200 -15.1078 -29.8967 -17.8778 -29.8966 115.485 -6.75783 -17.8778 -6.75782 -72.1098 GPRESSAVG: 4052200 -14.8663 -29.1652 -20.4913 -30.8195 114.789 -7.22885 -17.3694 -7.08947 -71.9411 TIMING: 4052200 CPU: 12157.1, 0.00307016/step Wall: 12157.1, 0.00307016/step, 0.808304 hours remaining, 208.027344 MB of memory in use. ENERGY: 4052200 738.2826 2029.1031 1959.7654 107.7278 -206214.0256 17811.4312 0.0000 0.0000 34512.1439 -149055.5717 301.4031 -183567.7156 -148960.5305 299.2928 29.5144 57.6376 555385.2895 9.4225 9.3272 LDB: ============= START OF LOAD BALANCING ============== 12160.5 LDB: ============== END OF LOAD BALANCING =============== 12160.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12160.5 LDB: ============= START OF LOAD BALANCING ============== 12160.9 LDB: Largest compute 4820 load 0.026111 is 22.1% of average load 0.118097 LDB: Average compute 0.001727 is 1.5% of average load 0.118097 LDB: TIME 12160.9 LOAD: AVG 0.118097 MAX 0.220515 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.867 MB LDB: TIME 12160.9 LOAD: AVG 0.118097 MAX 0.220515 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.07 MB LDB: TIME 12160.9 LOAD: AVG 0.118097 MAX 0.220515 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.07 MB LDB: ============== END OF LOAD BALANCING =============== 12160.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12160.9 PRESSURE: 4052400 -160.864 79.6083 42.4178 79.6081 8.94839 13.8509 42.4174 13.851 180.241 GPRESSURE: 4052400 -95.8737 99.6561 38.8395 52.4 79.3318 23.3566 31.4022 39.1945 156.601 PRESSAVG: 4052400 0.284685 -13.6765 -33.1904 -13.6765 9.42389 -23.6669 -33.1904 -23.667 3.78262 GPRESSAVG: 4052400 -0.796339 -12.0271 -33.4465 -12.7373 10.6722 -21.7684 -31.5003 -24.481 3.86718 TIMING: 4052400 CPU: 12157.7, 0.00310982/step Wall: 12157.7, 0.00310982/step, 0.818573 hours remaining, 207.746094 MB of memory in use. ENERGY: 4052400 739.1600 2078.2142 1957.9616 110.7789 -206270.6848 17915.9207 0.0000 0.0000 34341.9011 -149126.7483 299.9164 -183468.6494 -149029.8869 299.2119 9.4418 46.6864 558197.6710 4.4971 4.5810 PRESSURE: 4052600 -256.981 39.2446 -35.979 39.2431 -22.0519 -68.3077 -35.9798 -68.3088 -54.237 GPRESSURE: 4052600 -320.248 68.8736 -34.5775 81.4249 14.7268 -84.9358 -68.0031 -80.8632 79.9473 PRESSAVG: 4052600 -20.7862 16.6131 19.1278 16.6131 -1.19807 8.53083 19.1278 8.53071 20.1131 GPRESSAVG: 4052600 -20.8329 15.7103 20.4426 17.3584 -0.424749 5.16907 17.5339 10.3008 19.8179 TIMING: 4052600 CPU: 12158.3, 0.00305355/step Wall: 12158.3, 0.00305355/step, 0.803593 hours remaining, 208.003906 MB of memory in use. ENERGY: 4052600 765.3627 2055.0222 1974.3687 113.1769 -205943.9962 17664.4430 0.0000 0.0000 34175.8827 -149195.7399 298.4665 -183371.6226 -149106.7647 299.5630 -111.0900 -75.1911 557913.3238 -0.6237 -0.4799 PRESSURE: 4052800 80.4727 -21.8476 79.2764 -21.8468 35.4074 168.654 79.2767 168.653 76.3664 GPRESSURE: 4052800 139.214 38.7637 108.709 38.2221 76.7309 8.81143 81.4162 180.805 67.3703 PRESSAVG: 4052800 -14.7985 -41.9782 27.0813 -41.9782 3.2587 17.305 27.0814 17.3051 33.1767 GPRESSAVG: 4052800 -15.7065 -42.5811 25.7384 -42.0712 3.51686 19.4139 27.0641 15.9726 33.8777 TIMING: 4052800 CPU: 12159, 0.00306777/step Wall: 12159, 0.00306777/step, 0.807165 hours remaining, 208.003906 MB of memory in use. ENERGY: 4052800 714.1698 2070.2195 1949.4758 97.4785 -206566.3475 17937.8006 0.0000 0.0000 34523.5102 -149273.6930 301.5024 -183797.2033 -149175.0303 298.9535 64.0822 94.4382 557237.1287 7.2123 7.2294 PRESSURE: 4053000 140.559 -47.2985 37.674 -47.2991 169.683 -36.4743 37.6757 -36.4744 -143.14 GPRESSURE: 4053000 186.737 -49.3438 30.8043 -42.9148 150.177 70.5565 -26.229 -93.3321 -69.3739 PRESSAVG: 4053000 44.3841 55.9077 0.430446 55.9077 -18.5353 -2.9593 0.430453 -2.95928 -6.68487 GPRESSAVG: 4053000 46.7623 57.2845 2.198 56.4505 -19.9762 -2.41854 -0.302831 -3.18047 -7.34649 TIMING: 4053000 CPU: 12159.6, 0.00306216/step Wall: 12159.6, 0.00306216/step, 0.805517 hours remaining, 208.003906 MB of memory in use. ENERGY: 4053000 691.6363 2111.1863 1951.9082 118.9767 -206030.3072 17746.5065 0.0000 0.0000 34008.0847 -149402.0085 297.0011 -183410.0932 -149295.6211 298.7143 55.7008 89.1799 557343.8253 6.3880 6.4799 PRESSURE: 4053200 24.2223 61.6927 71.775 61.6941 -110.874 65.8299 71.7754 65.83 -77.8211 GPRESSURE: 4053200 49.2541 15.0204 26.5864 53.3503 -45.2521 109.215 95.9992 78.1959 -77.5593 PRESSAVG: 4053200 59.2504 16.5799 -2.19983 16.5798 23.2829 49.6319 -2.19985 49.632 -88.3572 GPRESSAVG: 4053200 57.5294 15.7535 -2.29466 15.1554 25.5271 48.9954 -1.11358 48.91 -88.7711 TIMING: 4053200 CPU: 12160.2, 0.00308506/step Wall: 12160.2, 0.00308506/step, 0.811372 hours remaining, 208.003906 MB of memory in use. ENERGY: 4053200 731.6652 2071.2743 1946.1364 113.7741 -205993.3256 17625.1832 0.0000 0.0000 34119.4169 -149385.8756 297.9734 -183505.2925 -149281.5688 298.6821 -54.8244 -24.5191 556828.5794 -1.9413 -1.9048 PRESSURE: 4053400 -125.481 -2.94946 -78.6125 -2.95044 -299.674 -48.7586 -78.613 -48.7594 -414.705 GPRESSURE: 4053400 -138.082 -15.3316 7.40395 29.315 -238.164 -79.3797 -38.8949 -57.1996 -358.994 PRESSAVG: 4053400 30.9423 -8.05664 13.7722 -8.05666 -6.80161 17.262 13.7722 17.262 -32.2583 GPRESSAVG: 4053400 30.5677 -9.11792 14.2544 -8.05703 -7.54271 16.6164 12.0429 17.3851 -31.006 TIMING: 4053400 CPU: 12160.8, 0.00307268/step Wall: 12160.8, 0.00307268/step, 0.807944 hours remaining, 208.003906 MB of memory in use. ENERGY: 4053400 741.1174 2123.3360 1936.3611 121.1459 -205794.8876 17270.8075 0.0000 0.0000 34342.4889 -149259.6309 299.9215 -183602.1197 -149162.8465 298.4233 -279.9534 -245.0799 557173.3195 -2.7059 -2.6603 PRESSURE: 4053600 -15.1533 -221.188 -39.4183 -221.188 89.8376 -48.0348 -39.4177 -48.0361 119.112 GPRESSURE: 4053600 -48.1663 -234.747 27.0851 -136.241 134.814 -49.4518 -76.995 39.3316 200.742 PRESSAVG: 4053600 0.359983 -35.9718 18.6695 -35.972 23.2952 24.382 18.6695 24.3821 -38.1652 GPRESSAVG: 4053600 0.828419 -35.6859 17.5594 -35.6673 22.7365 25.0556 20.8049 24.5078 -38.4823 TIMING: 4053600 CPU: 12161.4, 0.00307156/step Wall: 12161.4, 0.00307156/step, 0.807479 hours remaining, 208.003906 MB of memory in use. ENERGY: 4053600 780.5169 2180.5028 1968.3701 111.3128 -206682.5076 17947.7630 0.0000 0.0000 34283.1098 -149410.9321 299.4029 -183694.0419 -149321.9177 298.9962 64.5989 95.7966 556845.0995 -4.8367 -4.9725 PRESSURE: 4053800 39.3801 -95.2267 21.6545 -95.2268 -19.9736 -93.5725 21.6536 -93.572 75.2303 GPRESSURE: 4053800 103.038 -150.539 -16.2309 -65.0507 24.6742 -128.996 49.4661 -101.045 60.462 PRESSAVG: 4053800 9.182 -29.9906 -31.9741 -29.9907 18.7502 -9.6348 -31.974 -9.63476 -7.25159 GPRESSAVG: 4053800 9.54194 -28.6208 -32.5976 -31.294 18.5634 -10.4674 -32.4445 -8.63746 -7.59348 TIMING: 4053800 CPU: 12162, 0.00307734/step Wall: 12162, 0.00307734/step, 0.808828 hours remaining, 208.003906 MB of memory in use. ENERGY: 4053800 711.5349 2066.4777 1966.0634 127.0295 -206660.4612 17968.6197 0.0000 0.0000 34314.3936 -149506.3422 299.6761 -183820.7359 -149404.9360 299.0034 31.5456 62.7249 557598.0323 6.8935 6.8373 PRESSURE: 4054000 110.263 7.94742 13.9465 7.94723 -299.081 169.921 13.9465 169.922 -27.1588 GPRESSURE: 4054000 148.166 16.1471 74.6785 -19.8608 -282.105 161.264 -0.0958157 135.812 13.5833 PRESSAVG: 4054000 16.8387 -17.8517 -61.7859 -17.8517 4.04228 -8.14253 -61.7859 -8.14252 -29.5794 GPRESSAVG: 4054000 15.9671 -19.2569 -61.1545 -17.6334 4.52514 -10.497 -62.3048 -6.91508 -29.0339 TIMING: 4054000 CPU: 12162.6, 0.00307774/step Wall: 12162.6, 0.00307774/step, 0.808762 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: 4054000 735.0287 2085.2760 1929.5451 122.2325 -206497.2844 17899.6488 0.0000 0.0000 34419.5153 -149306.0380 300.5942 -183725.5533 -149214.1871 299.0328 -71.9922 -40.1185 557928.8102 -2.8995 -2.8472 PRESSURE: 4054200 -239.171 167.79 -171.482 167.788 -35.2311 110.342 -171.481 110.34 -60.4036 GPRESSURE: 4054200 -175.436 160.334 -146.27 229.229 -49.2879 -34.2498 -123.805 143.288 -13.4972 PRESSAVG: 4054200 0.842125 31.9302 -74.7688 31.9301 -10.2722 64.8578 -74.7688 64.8577 -9.18905 GPRESSAVG: 4054200 1.00638 29.9877 -74.6923 35.8799 -11.468 65.7028 -74.3631 62.7783 -7.90177 TIMING: 4054200 CPU: 12163.3, 0.00306909/step Wall: 12163.3, 0.00306909/step, 0.806317 hours remaining, 208.003906 MB of memory in use. ENERGY: 4054200 733.6340 2135.9896 1981.4429 121.3038 -206030.9119 17531.8125 0.0000 0.0000 34267.6808 -149259.0482 299.2682 -183526.7290 -149165.0255 299.0250 -111.6019 -79.4070 557883.4569 -6.2064 -6.1211 PRESSURE: 4054400 225.13 29.7815 80.2045 29.7821 193.817 50.9736 80.2049 50.9738 -216.941 GPRESSURE: 4054400 259.899 69.9139 64.0559 -32.6107 210.224 115.599 118.675 30.6272 -172.226 PRESSAVG: 4054400 10.5917 -21.8091 41.9096 -21.8092 40.6485 29.1434 41.9096 29.1434 -7.54733 GPRESSAVG: 4054400 11.2904 -18.9265 40.9095 -26.2776 41.6566 29.1404 43.0615 30.6549 -9.45854 TIMING: 4054400 CPU: 12163.9, 0.00311506/step Wall: 12163.9, 0.00311506/step, 0.818222 hours remaining, 208.003906 MB of memory in use. ENERGY: 4054400 753.3280 2111.7184 1935.6371 121.9855 -206624.7731 18140.7504 0.0000 0.0000 34305.4129 -149255.9407 299.5977 -183561.3536 -149161.9051 299.2399 67.3354 99.2992 557302.4430 14.5643 14.4961 PRESSURE: 4054600 -205.696 104.196 -33.1156 104.196 76.6383 -147.197 -33.1153 -147.198 -17.8138 GPRESSURE: 4054600 -199.489 137.277 -19.9411 7.86835 114.757 -127.493 5.9806 -134.808 33.533 PRESSAVG: 4054600 -47.6811 -15.94 -30.2685 -15.9401 53.1132 48.7018 -30.2684 48.7019 -14.7526 GPRESSAVG: 4054600 -47.5908 -16.4831 -28.8077 -14.4206 52.4967 49.2414 -30.6219 46.9282 -13.7396 TIMING: 4054600 CPU: 12164.5, 0.00307273/step Wall: 12164.5, 0.00307273/step, 0.806932 hours remaining, 208.003906 MB of memory in use. ENERGY: 4054600 745.0728 2056.4149 1964.2107 108.9363 -205685.2075 17592.0410 0.0000 0.0000 34051.1099 -149167.4218 297.3768 -183218.5317 -149071.7426 298.4548 -48.9571 -17.0663 556950.4599 -3.1068 -2.9446 PRESSURE: 4054800 -169.396 140.251 100.831 140.251 115.465 30.7547 100.83 30.7548 -332.993 GPRESSURE: 4054800 -124.68 81.8569 122.958 147.951 149.649 -8.50992 149.02 96.2725 -314.82 PRESSAVG: 4054800 37.224 76.5227 -7.60911 76.5226 28.4782 2.04213 -7.60911 2.0422 -59.4247 GPRESSAVG: 4054800 35.8035 74.5955 -9.05211 76.943 29.6229 3.16827 -8.1395 3.05027 -59.5792 TIMING: 4054800 CPU: 12165.1, 0.00305443/step Wall: 12165.1, 0.00305443/step, 0.801957 hours remaining, 208.003906 MB of memory in use. ENERGY: 4054800 761.6244 2128.9555 1966.9150 118.7352 -205804.7051 17635.5494 0.0000 0.0000 34106.1993 -149086.7263 297.8579 -183192.9256 -148994.4276 299.3052 -128.9746 -96.6167 557363.0626 2.0925 1.9491 PRESSURE: 4055000 86.7576 -104.882 -256.343 -104.882 -165.512 43.9343 -256.343 43.9345 -164.597 GPRESSURE: 4055000 176.412 -110.287 -273.713 -73.4752 -130.464 84.9074 -189.001 59.2895 -179.904 PRESSAVG: 4055000 35.4929 -11.3707 -33.9129 -11.3707 53.4959 16.7037 -33.9128 16.7036 -81.7155 GPRESSAVG: 4055000 35.9633 -10.3261 -33.6015 -12.0474 53.9658 16.7222 -31.8946 14.9896 -83.5942 TIMING: 4055000 CPU: 12165.7, 0.00304365/step Wall: 12165.7, 0.00304365/step, 0.798958 hours remaining, 208.003906 MB of memory in use. ENERGY: 4055000 770.8537 2134.6781 1933.5725 117.6092 -206299.3182 17833.9753 0.0000 0.0000 34337.0015 -149171.6278 299.8736 -183508.6293 -149073.4502 300.2898 -81.1171 -44.6520 557603.2427 2.4245 2.1116 PRESSURE: 4055200 -36.4885 108.394 112.999 108.394 123.593 -182.036 113.001 -182.035 178.418 GPRESSURE: 4055200 -38.6345 40.1971 118.066 127.736 157.328 -112.877 27.2006 -186.595 242.546 PRESSAVG: 4055200 -20.6504 12.0215 0.00367014 12.0215 19.7058 -52.6915 0.00369765 -52.6915 -23.2027 GPRESSAVG: 4055200 -20.6197 11.4825 -1.26646 14.8388 18.7863 -54.638 0.350421 -50.7984 -22.1896 TIMING: 4055200 CPU: 12166.3, 0.00303376/step Wall: 12166.3, 0.00303376/step, 0.796193 hours remaining, 208.003906 MB of memory in use. ENERGY: 4055200 735.4331 2128.7702 1937.0640 104.8523 -206280.5891 17742.3488 0.0000 0.0000 34348.4631 -149283.6575 299.9737 -183632.1206 -149188.2827 299.4053 88.5073 120.4130 556946.1541 -8.0491 -8.0077 PRESSURE: 4055400 -50.953 -29.2509 -50.3118 -29.2514 -35.2627 -102.46 -50.3113 -102.461 -301.222 GPRESSURE: 4055400 12.07 -2.24182 -93.2552 -53.8888 -35.394 -33.9513 14.3314 -93.4286 -273.007 PRESSAVG: 4055400 5.4865 11.6608 43.061 11.6607 12.9229 -31.088 43.0611 -31.0881 -20.5873 GPRESSAVG: 4055400 6.55826 10.4746 46.2578 7.8532 12.7794 -30.5621 41.2132 -32.2204 -21.2824 TIMING: 4055400 CPU: 12166.9, 0.00308643/step Wall: 12166.9, 0.00308643/step, 0.809845 hours remaining, 208.003906 MB of memory in use. ENERGY: 4055400 769.7710 2093.5308 1936.3340 112.6444 -206321.3985 17793.7278 0.0000 0.0000 34223.7705 -149391.6200 298.8847 -183615.3905 -149299.6685 299.3957 -129.1459 -98.7769 557881.5488 -0.7260 -0.6482 PRESSURE: 4055600 38.7333 -140.614 80.2961 -140.613 -5.77434 -30.5841 80.2966 -30.5833 -51.8002 GPRESSURE: 4055600 119.755 -66.4397 6.57006 -184.951 -9.58829 -29.1651 46.9438 57.0936 -34.6167 PRESSAVG: 4055600 8.98158 21.5224 69.629 21.5223 77.8081 33.0973 69.629 33.0974 -79.2779 GPRESSAVG: 4055600 9.28507 21.0703 67.9637 23.2242 76.515 34.561 70.4735 31.8166 -77.5534 TIMING: 4055600 CPU: 12167.6, 0.00307169/step Wall: 12167.6, 0.00307169/step, 0.805808 hours remaining, 208.003906 MB of memory in use. ENERGY: 4055600 722.4860 2136.0235 1910.4501 123.5889 -206184.8846 17691.9931 0.0000 0.0000 34334.3550 -149265.9881 299.8505 -183600.3431 -149167.6831 298.8526 -6.2804 25.1834 557760.2820 2.5039 2.7489 PRESSURE: 4055800 -22.2371 77.1663 71.3029 77.1662 44.9337 -155.17 71.3017 -155.171 111.589 GPRESSURE: 4055800 -4.63398 99.8528 57.9894 108.866 112.444 -129.247 29.419 -162.102 120.455 PRESSAVG: 4055800 -45.5331 -39.142 33.2701 -39.1421 34.219 -31.6788 33.27 -31.6788 3.37761 GPRESSAVG: 4055800 -45.818 -36.853 33.0255 -40.2892 35.824 -30.5498 33.2333 -32.2658 2.54942 TIMING: 4055800 CPU: 12168.2, 0.00306498/step Wall: 12168.2, 0.00306498/step, 0.803876 hours remaining, 208.003906 MB of memory in use. ENERGY: 4055800 792.1372 2138.3414 1929.2950 121.7149 -206859.6345 18028.8795 0.0000 0.0000 34511.7447 -149337.5219 301.3997 -183849.2666 -149235.0852 299.2320 44.7618 76.0881 556992.4095 -2.6455 -2.4815 PRESSURE: 4056000 -81.1819 -18.0246 -22.4689 -18.0251 91.3173 -135.515 -22.4688 -135.514 104.723 GPRESSURE: 4056000 -67.4953 -102.964 24.1746 104.913 100.922 -131.22 1.14623 -162.045 192.207 PRESSAVG: 4056000 -30.7236 20.2742 74.9338 20.2743 16.4785 -9.18628 74.9337 -9.1864 34.2703 GPRESSAVG: 4056000 -30.4103 19.4766 76.3275 20.8436 14.8614 -10.364 74.973 -7.81106 35.7081 TIMING: 4056000 CPU: 12168.8, 0.00304605/step Wall: 12168.8, 0.00304605/step, 0.798742 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: 4056000 775.0188 2128.1746 1965.7377 99.8782 -206438.5296 17981.3023 0.0000 0.0000 34199.5873 -149288.8307 298.6735 -183488.4180 -149184.5253 299.2464 38.2861 75.2113 557244.7833 6.6751 6.7197 PRESSURE: 4056200 -176.467 192.363 53.8164 192.363 -323.423 102.83 53.8152 102.83 -94.1681 GPRESSURE: 4056200 -176.401 142.903 89.0207 193.016 -264.34 132.006 66.4825 49.2014 -47.2924 PRESSAVG: 4056200 -9.40041 -26.9198 60.7891 -26.9199 22.4882 -0.565671 60.789 -0.565598 -28.1094 GPRESSAVG: 4056200 -9.28589 -27.7551 58.9016 -27.5504 23.6256 -2.21571 61.3824 0.857846 -29.3729 TIMING: 4056200 CPU: 12169.4, 0.00307358/step Wall: 12169.4, 0.00307358/step, 0.80579 hours remaining, 208.003906 MB of memory in use. ENERGY: 4056200 783.7275 2170.7947 1942.4827 127.1466 -206289.5667 17773.7484 0.0000 0.0000 34275.1127 -149216.5539 299.3331 -183491.6666 -149115.1952 299.5668 -198.0191 -162.6777 557283.4083 -5.0072 -5.0111 LDB: ============= START OF LOAD BALANCING ============== 12172.8 LDB: ============== END OF LOAD BALANCING =============== 12172.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12172.8 LDB: ============= START OF LOAD BALANCING ============== 12173.1 LDB: Largest compute 4822 load 0.024497 is 20.7% of average load 0.118116 LDB: Average compute 0.001719 is 1.5% of average load 0.118116 LDB: TIME 12173.1 LOAD: AVG 0.118116 MAX 0.220025 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.027 MB LDB: TIME 12173.1 LOAD: AVG 0.118116 MAX 0.220025 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.09 MB LDB: TIME 12173.1 LOAD: AVG 0.118116 MAX 0.220025 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.09 MB LDB: ============== END OF LOAD BALANCING =============== 12173.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12173.1 PRESSURE: 4056400 -186.313 12.9599 51.6992 12.9594 -98.2748 77.507 51.6984 77.5066 70.4521 GPRESSURE: 4056400 -145.587 0.73143 53.7709 90.5657 2.97688 49.8049 39.0584 75.3827 32.1891 PRESSAVG: 4056400 -52.5001 -6.60709 27.8796 -6.60707 -23.9327 31.9289 27.8796 31.9289 60.3495 GPRESSAVG: 4056400 -52.5952 -5.24901 28.6043 -4.83493 -24.0215 32.5745 26.1079 30.5855 60.8789 TIMING: 4056400 CPU: 12170, 0.00311511/step Wall: 12170, 0.00311511/step, 0.816505 hours remaining, 207.750000 MB of memory in use. ENERGY: 4056400 724.7690 2168.9225 1954.9820 122.9330 -206358.1258 17780.1440 0.0000 0.0000 34298.5724 -149307.8029 299.5380 -183606.3753 -149211.8150 299.5290 -71.3785 -36.8070 555714.7849 -5.3611 -5.2459 PRESSURE: 4056600 -114.35 -1.36924 203.92 -1.36923 -25.9462 -79.6043 203.919 -79.604 247.446 GPRESSURE: 4056600 -67.4341 -105.937 254.556 34.2362 -17.4233 -12.0259 144.851 -95.0507 290.356 PRESSAVG: 4056600 -24.6702 5.86153 39.336 5.86163 -48.4062 39.4638 39.3359 39.4637 22.1475 GPRESSAVG: 4056600 -25.1194 5.51861 41.1333 7.11789 -48.1604 41.3018 39.3989 38.3761 22.2216 TIMING: 4056600 CPU: 12170.6, 0.00307438/step Wall: 12170.6, 0.00307438/step, 0.805658 hours remaining, 207.953125 MB of memory in use. ENERGY: 4056600 712.9357 2122.7557 1984.6849 111.3669 -206548.2441 17825.7835 0.0000 0.0000 34533.3107 -149257.4067 301.5880 -183790.7174 -149155.2650 299.4253 35.7165 68.4996 556015.4315 -16.9763 -17.0194 PRESSURE: 4056800 111.561 -64.6521 -114.793 -64.6519 139.105 -121.765 -114.792 -121.765 -165.374 GPRESSURE: 4056800 93.8913 -62.8931 -35.4284 -125.617 183.615 -169.713 -120.118 -56.5758 -102.939 PRESSAVG: 4056800 31.2786 -70.981 43.4255 -70.981 30.1786 -52.2799 43.4255 -52.28 -39.8699 GPRESSAVG: 4056800 31.0991 -70.7606 42.4547 -73.5749 29.7786 -54.2496 43.7188 -53.0906 -38.9626 TIMING: 4056800 CPU: 12171.2, 0.00305451/step Wall: 12171.2, 0.00305451/step, 0.800281 hours remaining, 207.953125 MB of memory in use. ENERGY: 4056800 777.2615 2153.9392 1959.4719 120.7995 -206199.0896 17704.1265 0.0000 0.0000 34166.7197 -149316.7714 298.3865 -183483.4910 -149222.6843 299.5544 28.4308 58.1892 555590.1149 7.1958 7.3050 PRESSURE: 4057000 -119.8 52.0268 -152.972 52.0271 -185.492 -43.4832 -152.972 -43.4853 -57.4062 GPRESSURE: 4057000 -53.8684 90.1183 -184.035 111.663 -122.185 -96.8368 -201.438 -32.19 -89.0661 PRESSAVG: 4057000 49.1026 -21.8864 13.0125 -21.8864 30.0565 18.854 13.0124 18.854 -93.9434 GPRESSAVG: 4057000 49.9554 -23.3511 12.2835 -22.0065 30.8171 19.4396 12.2783 21.518 -95.6183 TIMING: 4057000 CPU: 12171.9, 0.00306655/step Wall: 12171.9, 0.00306655/step, 0.803265 hours remaining, 207.953125 MB of memory in use. ENERGY: 4057000 763.9637 2122.1418 1970.3460 140.3780 -206140.2531 17554.8741 0.0000 0.0000 34372.4810 -149216.0685 300.1834 -183588.5495 -149125.4038 299.9085 -120.8993 -88.3732 556024.3814 -4.9281 -4.9486 PRESSURE: 4057200 13.3872 62.0691 82.0705 62.0686 -274.5 93.4192 82.0705 93.4177 -340.253 GPRESSURE: 4057200 32.5261 84.1641 125.12 -60.1544 -312.296 101.715 114.716 23.2709 -210.537 PRESSAVG: 4057200 -26.8909 -15.6582 -20.1737 -15.6583 -28.5418 6.2738 -20.1737 6.27364 53.5276 GPRESSAVG: 4057200 -27.8487 -14.8624 -19.8843 -15.9611 -28.5127 7.61447 -19.7202 4.8783 54.204 TIMING: 4057200 CPU: 12172.5, 0.00308809/step Wall: 12172.5, 0.00308809/step, 0.808736 hours remaining, 207.953125 MB of memory in use. ENERGY: 4057200 752.1009 2094.8700 1955.0970 112.2638 -206154.2826 17533.1537 0.0000 0.0000 34299.9512 -149406.8460 299.5500 -183706.7972 -149299.6880 299.0114 -200.4553 -163.4357 556891.1581 -0.6350 -0.7191 PRESSURE: 4057400 58.4328 80.8468 69.6917 80.8478 255.201 101.96 69.6926 101.96 -0.0116221 GPRESSURE: 4057400 118.931 108.523 6.44447 121.453 281.602 58.5587 71.2641 22.3427 15.0095 PRESSAVG: 4057400 -60.9425 5.33804 -10.2021 5.33814 102.292 39.1293 -10.2021 39.1294 -35.509 GPRESSAVG: 4057400 -60.0896 4.93622 -11.2075 7.68599 103.025 39.1522 -9.95669 38.6955 -36.8904 TIMING: 4057400 CPU: 12173.1, 0.00308538/step Wall: 12173.1, 0.00308538/step, 0.807857 hours remaining, 207.953125 MB of memory in use. ENERGY: 4057400 734.2483 2092.2478 1965.6973 125.0202 -206543.4332 17892.9865 0.0000 0.0000 34312.2532 -149420.9799 299.6574 -183733.2331 -149326.4429 299.1682 104.5406 138.5141 555652.4220 1.9468 2.0151 PRESSURE: 4057600 -99.4009 18.2402 -45.8527 18.2396 -138.242 75.5312 -45.8528 75.5305 -53.326 GPRESSURE: 4057600 -52.4179 -19.4419 40.5413 -30.9677 -107.305 89.7646 -96.8147 74.5911 -37.0076 PRESSAVG: 4057600 -7.506 -49.6843 14.634 -49.6843 -16.6574 -15.0915 14.634 -15.0915 52.3436 GPRESSAVG: 4057600 -7.07214 -48.4785 16.8879 -50.6729 -18.5446 -16.3935 13.0647 -13.9535 53.6401 TIMING: 4057600 CPU: 12173.7, 0.00308398/step Wall: 12173.7, 0.00308398/step, 0.807319 hours remaining, 207.953125 MB of memory in use. ENERGY: 4057600 724.8504 2079.3021 1959.5551 117.5110 -205883.1286 17520.0107 0.0000 0.0000 34101.3098 -149380.5896 297.8152 -183481.8995 -149278.7233 299.2786 -96.9896 -65.5770 556515.3222 9.3934 9.3411 PRESSURE: 4057800 -107.512 20.4259 36.0491 20.4256 14.395 33.8159 36.0496 33.8155 397.054 GPRESSURE: 4057800 -92.8216 31.1923 117.658 -18.8318 50.6551 -36.9562 57.576 33.7848 449.366 PRESSAVG: 4057800 -74.1557 14.0479 2.02794 14.048 3.08596 55.5017 2.02811 55.5017 15.6332 GPRESSAVG: 4057800 -75.2231 12.9774 0.757737 16.2343 3.23808 53.8624 4.37383 58.2693 16.1031 TIMING: 4057800 CPU: 12174.3, 0.00307984/step Wall: 12174.3, 0.00307984/step, 0.806062 hours remaining, 207.953125 MB of memory in use. ENERGY: 4057800 715.3560 2103.9705 1977.8664 122.1195 -206449.5629 17834.8205 0.0000 0.0000 34177.7566 -149517.6734 298.4828 -183695.4300 -149424.1468 298.2564 101.3123 135.7330 556340.2124 -18.4788 -18.6273 PRESSURE: 4058000 68.5172 -85.6174 83.4662 -85.618 -127.213 -159.075 83.4662 -159.075 -168.022 GPRESSURE: 4058000 131.847 -126.461 73.5244 -105.568 -86.269 -61.4422 38.265 -158.84 -179.46 PRESSAVG: 4058000 49.5197 0.705448 54.9208 0.705392 -1.95929 -17.2893 54.9209 -17.2892 17.4545 GPRESSAVG: 4058000 49.51 3.43113 53.6181 -3.27486 -1.57501 -17.1224 56.1635 -20.2967 17.4033 TIMING: 4058000 CPU: 12174.9, 0.00306949/step Wall: 12174.9, 0.00306949/step, 0.803182 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: 4058000 723.2127 2122.4361 1987.3517 117.9697 -206264.3903 17547.1820 0.0000 0.0000 34287.4555 -149478.7825 299.4409 -183766.2380 -149384.1066 298.6283 -75.5728 -44.6273 554740.5313 21.6716 21.7794 PRESSURE: 4058200 57.1042 -50.1 -57.2568 -50.0993 168.262 116.983 -57.2569 116.981 95.0653 GPRESSURE: 4058200 75.238 -12.3183 -125.297 -21.3995 181.922 161.729 -85.3325 44.3592 153.481 PRESSAVG: 4058200 29.7847 -84.585 48.3529 -84.585 10.2066 4.20995 48.3528 4.20996 -93.6075 GPRESSAVG: 4058200 29.6805 -86.8522 48.8861 -83.955 10.8577 6.12703 46.4859 3.26899 -93.8354 TIMING: 4058200 CPU: 12175.5, 0.00302981/step Wall: 12175.5, 0.00302981/step, 0.792633 hours remaining, 207.953125 MB of memory in use. ENERGY: 4058200 739.5823 2123.7844 1968.7489 120.5098 -206250.5952 17844.9156 0.0000 0.0000 34183.8179 -149269.2363 298.5358 -183453.0541 -149174.4929 298.3882 106.8104 136.8803 556179.0695 -17.8721 -17.7657 PRESSURE: 4058400 -159.984 -34.3216 153.258 -34.3231 193.222 118.904 153.258 118.905 -17.371 GPRESSURE: 4058400 -77.0254 -98.1268 36.3031 -60.0725 162.467 147.932 231.112 88.4358 23.0488 PRESSAVG: 4058400 -20.7725 15.9829 41.7781 15.9829 0.688506 7.7272 41.7781 7.72708 14.9678 GPRESSAVG: 4058400 -18.6575 16.3585 42.0298 18.0315 -0.643051 5.25623 42.5864 8.59925 13.4646 TIMING: 4058400 CPU: 12176.1, 0.00302664/step Wall: 12176.1, 0.00302664/step, 0.791636 hours remaining, 207.953125 MB of memory in use. ENERGY: 4058400 724.8723 2126.0956 1949.0417 111.5601 -206263.2460 17867.2282 0.0000 0.0000 34260.8965 -149223.5517 299.2089 -183484.4482 -149119.0970 299.2782 5.2891 36.1634 556491.0945 -1.7054 -1.9453 PRESSURE: 4058600 -270.739 -131.348 44.6085 -131.35 38.1515 43.8469 44.6101 43.8454 -194.822 GPRESSURE: 4058600 -204.299 -200.823 23.3674 -57.9439 48.6496 31.2357 72.708 88.4266 -166.547 PRESSAVG: 4058600 43.1735 -25.2241 -22.8176 -25.2242 -33.7654 15.4649 -22.8175 15.465 29.3596 GPRESSAVG: 4058600 40.8843 -26.6634 -22.9457 -26.5975 -32.7899 16.5285 -22.1218 14.9525 30.7497 TIMING: 4058600 CPU: 12176.8, 0.00306374/step Wall: 12176.8, 0.00306374/step, 0.801167 hours remaining, 207.953125 MB of memory in use. ENERGY: 4058600 768.3909 2050.9508 1939.7173 122.6099 -205723.4197 17511.8358 0.0000 0.0000 34257.0525 -149072.8625 299.1754 -183329.9151 -148980.6427 298.8643 -142.4700 -107.3987 559005.0254 12.9226 12.9480 PRESSURE: 4058800 1.26334 68.0135 11.4268 68.0123 22.7578 52.268 11.4278 52.2705 -142.637 GPRESSURE: 4058800 53.7352 135.099 -7.22546 74.0173 58.7525 -0.438768 42.1709 4.69722 -139.603 PRESSAVG: 4058800 49.6126 40.3858 17.2428 40.3858 -29.8786 14.9983 17.2429 14.9983 -6.5248 GPRESSAVG: 4058800 49.7833 41.5564 17.2459 42.0612 -29.1977 14.7935 17.0014 15.8406 -7.66494 TIMING: 4058800 CPU: 12177.4, 0.00304985/step Wall: 12177.4, 0.00304985/step, 0.797365 hours remaining, 207.953125 MB of memory in use. ENERGY: 4058800 734.4727 2098.1506 1950.6208 114.1761 -206120.9560 17719.2952 0.0000 0.0000 34377.3947 -149126.8461 300.2263 -183504.2408 -149028.9561 299.5564 -39.5385 -9.0385 557659.0809 4.4031 4.3069 PRESSURE: 4059000 -142.159 -13.4251 5.83876 -13.4245 -90.7173 -8.42846 5.83804 -8.42816 -181.542 GPRESSURE: 4059000 -85.3273 -47.4216 -10.0017 66.7988 -26.6475 -30.8583 57.8283 -12.6855 -205.624 PRESSAVG: 4059000 28.9421 29.7379 4.58324 29.7379 52.1665 14.0705 4.58321 14.0705 -59.3987 GPRESSAVG: 4059000 28.4596 29.7783 4.14876 28.6951 52.939 14.1258 4.96812 11.6031 -59.9775 TIMING: 4059000 CPU: 12178, 0.00302171/step Wall: 12178, 0.00302171/step, 0.789841 hours remaining, 207.953125 MB of memory in use. ENERGY: 4059000 725.5440 2116.9605 1960.4342 109.0770 -205834.6616 17592.9969 0.0000 0.0000 34211.9466 -149117.7023 298.7814 -183329.6489 -149020.6387 300.1200 -138.1397 -105.8662 557605.4363 7.2366 7.1404 PRESSURE: 4059200 -27.398 -23.4741 -104.778 -23.4749 -201.809 -8.90794 -104.777 -8.9076 115.807 GPRESSURE: 4059200 45.7244 -111.886 -90.4683 2.83604 -176.738 0.524957 -64.1615 -6.85027 118.804 PRESSAVG: 4059200 5.25476 63.8436 -14.5898 63.8437 33.7617 -53.2101 -14.5898 -53.2101 -38.883 GPRESSAVG: 4059200 6.16978 63.0372 -9.75845 64.1828 32.662 -51.8429 -18.5012 -51.8609 -38.0217 TIMING: 4059200 CPU: 12178.6, 0.00306713/step Wall: 12178.6, 0.00306713/step, 0.801543 hours remaining, 207.953125 MB of memory in use. ENERGY: 4059200 786.8359 2072.2536 1946.3063 123.7719 -206048.9562 17732.2582 0.0000 0.0000 34268.7497 -149118.7806 299.2775 -183387.5303 -149025.5028 299.5290 -37.7997 -4.0699 557606.3732 0.0445 0.2700 PRESSURE: 4059400 214.355 80.2831 56.0202 80.2833 217.35 110.309 56.0205 110.31 202.933 GPRESSURE: 4059400 262.186 52.908 -35.3916 109.924 294.302 160.793 21.0538 48.5566 172.397 PRESSAVG: 4059400 -31.9286 12.2693 -0.306755 12.2693 -3.42772 5.61115 -0.306734 5.61118 -14.1448 GPRESSAVG: 4059400 -33.4027 12.7243 -3.66545 10.9218 -2.17642 4.84933 2.96873 4.6571 -14.219 TIMING: 4059400 CPU: 12179.2, 0.00308323/step Wall: 12179.2, 0.00308323/step, 0.80558 hours remaining, 207.953125 MB of memory in use. ENERGY: 4059400 714.9963 2075.9911 1946.6098 114.3564 -206600.5992 18285.7632 0.0000 0.0000 34316.1722 -149146.7103 299.6917 -183462.8825 -149048.6400 299.4365 211.5459 242.9616 557803.9482 -16.5004 -16.5994 PRESSURE: 4059600 -168.698 -101.024 -81.9121 -101.024 -330.823 40.7658 -81.9133 40.7653 -255.386 GPRESSURE: 4059600 -145.839 -97.3833 -50.4829 34.2867 -301.231 95.1256 -104.423 29.9233 -204.032 PRESSAVG: 4059600 3.06724 21.1947 -22.655 21.1947 -11.0015 5.71143 -22.655 5.71139 47.6713 GPRESSAVG: 4059600 5.46255 20.7613 -21.2599 25.2372 -12.5556 4.93575 -23.879 6.42094 46.7066 TIMING: 4059600 CPU: 12179.8, 0.00308718/step Wall: 12179.8, 0.00308718/step, 0.806439 hours remaining, 207.953125 MB of memory in use. ENERGY: 4059600 755.3141 2102.8060 1954.0314 122.7159 -205829.3266 17489.4009 0.0000 0.0000 34183.2521 -149221.8061 298.5308 -183405.0582 -149131.1013 299.3762 -251.6354 -217.0340 557797.9044 13.2457 13.2045 PRESSURE: 4059800 -184.972 -27.8726 34.8921 -27.8733 103.895 60.5587 34.8925 60.5578 -108.281 GPRESSURE: 4059800 -194.029 -38.4318 45.1757 -6.00909 133.954 94.3721 73.4964 84.477 -34.5731 PRESSAVG: 4059800 13.6086 -43.3082 -20.6976 -43.3081 -42.0889 -36.1364 -20.6976 -36.1364 21.3014 GPRESSAVG: 4059800 13.2889 -43.4715 -21.2164 -44.0897 -42.036 -36.7402 -20.9226 -36.1572 21.6314 TIMING: 4059800 CPU: 12180.4, 0.00308453/step Wall: 12180.4, 0.00308453/step, 0.805576 hours remaining, 207.953125 MB of memory in use. ENERGY: 4059800 747.8040 2101.0361 1947.9423 113.7030 -205875.7002 17751.6113 0.0000 0.0000 34085.1858 -149128.4177 297.6744 -183213.6035 -149032.3503 299.3369 -63.1191 -31.5496 557718.2204 -2.3930 -2.3719 PRESSURE: 4060000 -12.0646 -47.9416 13.5586 -47.9413 231.459 -81.5164 13.56 -81.5167 253.412 GPRESSURE: 4060000 49.9134 -82.3439 -32.5231 -41.2952 219.582 -83.1884 91.386 -22.0329 291.663 PRESSAVG: 4060000 -26.9895 21.0567 -18.3919 21.0567 -21.6306 -33.4932 -18.3918 -33.4931 31.8551 GPRESSAVG: 4060000 -27.9936 23.7707 -15.9884 19.6008 -20.4911 -31.2136 -17.8281 -33.4056 32.3592 TIMING: 4060000 CPU: 12181, 0.00306174/step Wall: 12181, 0.00306174/step, 0.799454 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: 4060000 753.8652 2105.0402 1926.9607 115.4409 -206055.8641 17823.4662 0.0000 0.0000 34202.8664 -149128.2246 298.7021 -183331.0910 -149033.0352 299.4138 157.6022 187.0526 556336.1377 -5.5883 -5.3752 PRESSURE: 4060200 -89.9687 133.582 -85.9452 133.581 -108.226 -39.8852 -85.9467 -39.8844 95.5576 GPRESSURE: 4060200 -19.5147 188.027 -14.1284 135.742 -103.648 61.6072 -119.362 -15.9347 133.715 PRESSAVG: 4060200 19.3642 52.7299 -45.6295 52.7299 49.2533 13.596 -45.6295 13.5959 -41.8282 GPRESSAVG: 4060200 20.29 49.7476 -46.7265 54.6347 49.0284 10.7205 -45.5885 16.2049 -42.3164 TIMING: 4060200 CPU: 12181.7, 0.00305966/step Wall: 12181.7, 0.00305966/step, 0.798741 hours remaining, 207.953125 MB of memory in use. ENERGY: 4060200 746.7699 2102.4992 1941.7088 118.2798 -205820.4306 17605.9484 0.0000 0.0000 34254.9377 -149050.2868 299.1569 -183305.2245 -148953.7562 299.7109 -34.2124 3.5174 558207.5283 8.9298 9.0006 LDB: ============= START OF LOAD BALANCING ============== 12185.1 LDB: ============== END OF LOAD BALANCING =============== 12185.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12185.1 LDB: ============= START OF LOAD BALANCING ============== 12185.4 LDB: Largest compute 4820 load 0.024274 is 20.5% of average load 0.118141 LDB: Average compute 0.001714 is 1.5% of average load 0.118141 LDB: TIME 12185.4 LOAD: AVG 0.118141 MAX 0.219441 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.543 MB LDB: TIME 12185.4 LOAD: AVG 0.118141 MAX 0.219441 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.746 MB LDB: TIME 12185.4 LOAD: AVG 0.118141 MAX 0.219441 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.746 MB LDB: ============== END OF LOAD BALANCING =============== 12185.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12185.4 PRESSURE: 4060400 -46.5027 178.24 -56.3874 178.239 28.3058 -164.08 -56.3885 -164.08 82.4453 GPRESSURE: 4060400 -41.5605 233.322 -41.0633 238.65 114.8 -243.98 -19.5873 -138.462 80.5751 PRESSAVG: 4060400 -25.9485 84.6543 -38.6101 84.6543 -5.36765 -21.4671 -38.61 -21.4671 99.2838 GPRESSAVG: 4060400 -25.3073 86.0831 -40.0477 81.446 -6.46126 -20.4703 -37.955 -23.5218 99.3966 TIMING: 4060400 CPU: 12182.3, 0.00312033/step Wall: 12182.3, 0.00312033/step, 0.814407 hours remaining, 207.808594 MB of memory in use. ENERGY: 4060400 718.7485 2095.8828 1944.8791 111.4948 -206195.2819 17859.8293 0.0000 0.0000 34364.3489 -149100.0987 300.1124 -183464.4475 -149004.1763 300.0059 21.4161 51.2714 558696.0777 22.6559 22.5427 PRESSURE: 4060600 -117.992 180.531 -143.645 180.53 15.3997 76.6309 -143.645 76.6321 108.914 GPRESSURE: 4060600 -98.3859 183.857 -180.45 242.579 75.7603 85.9836 -82.6675 78.3384 122.531 PRESSAVG: 4060600 -41.938 91.8314 -64.2142 91.8314 27.0372 -58.1256 -64.2142 -58.1256 19.804 GPRESSAVG: 4060600 -42.0427 92.878 -63.9361 93.2206 27.6471 -59.5818 -64.6187 -57.6081 19.0166 TIMING: 4060600 CPU: 12182.9, 0.00305908/step Wall: 12182.9, 0.00305908/step, 0.79825 hours remaining, 207.808594 MB of memory in use. ENERGY: 4060600 768.2950 2023.3832 1935.8838 112.7933 -206216.0138 17809.5209 0.0000 0.0000 34431.4574 -149134.6803 300.6985 -183566.1377 -149036.3770 299.6754 2.1073 33.3018 557689.5166 1.6344 1.5403 PRESSURE: 4060800 62.1079 -16.0183 -85.5754 -16.0179 -66.8438 -109.544 -85.5768 -109.542 7.98548 GPRESSURE: 4060800 90.8713 -4.46694 -132.469 7.35976 -21.9541 -117.694 -58.1495 -132.784 33.9654 PRESSAVG: 4060800 -85.7009 -26.6932 16.9003 -26.6932 118.676 -12.8581 16.9003 -12.858 6.1521 GPRESSAVG: 4060800 -85.7317 -28.8194 17.2308 -27.3881 118.419 -11.5717 16.5616 -12.9802 7.3764 TIMING: 4060800 CPU: 12183.5, 0.0030677/step Wall: 12183.5, 0.0030677/step, 0.80033 hours remaining, 207.808594 MB of memory in use. ENERGY: 4060800 728.7221 2078.5764 1963.2346 121.5994 -206264.8795 17742.3255 0.0000 0.0000 34484.1588 -149146.2627 301.1587 -183630.4215 -149050.5939 300.5006 1.0832 34.2942 557592.0167 13.0424 13.3547 PRESSURE: 4061000 -235.875 69.2138 52.0214 69.2137 -223.788 122.105 52.0206 122.108 42.2836 GPRESSURE: 4061000 -253.314 24.3721 2.92485 46.6148 -182.549 20.8345 87.5182 101.909 113.271 PRESSAVG: 4061000 -50.4961 24.669 -6.46452 24.6688 47.4672 -27.6935 -6.46454 -27.6935 -26.613 GPRESSAVG: 4061000 -50.026 26.084 -7.42739 23.2494 46.0307 -28.7476 -6.2731 -27.9468 -25.5675 TIMING: 4061000 CPU: 12184.1, 0.00307414/step Wall: 12184.1, 0.00307414/step, 0.801838 hours remaining, 207.808594 MB of memory in use. ENERGY: 4061000 764.3832 2127.5128 1953.9177 107.5861 -206002.0105 17600.6853 0.0000 0.0000 34315.2584 -149132.6668 299.6837 -183447.9252 -149041.4023 299.2597 -139.1262 -107.5308 557216.1316 -9.8806 -9.8542 PRESSURE: 4061200 301.733 -6.31321 -156.218 -6.31308 195.27 41.5616 -156.216 41.5631 -86.002 GPRESSURE: 4061200 339.052 -22.1876 -135.381 -26.182 274.722 65.1655 -110.144 -8.10456 -94.768 PRESSAVG: 4061200 -36.9016 -42.5139 0.581451 -42.514 47.7809 -24.3789 0.581536 -24.3789 18.4192 GPRESSAVG: 4061200 -37.0373 -42.7405 1.60108 -40.3758 48.9218 -23.7151 1.97863 -23.7748 17.6419 TIMING: 4061200 CPU: 12184.7, 0.00307804/step Wall: 12184.7, 0.00307804/step, 0.802684 hours remaining, 207.808594 MB of memory in use. ENERGY: 4061200 750.3866 2073.1099 1952.1298 115.5120 -206270.1196 18044.5312 0.0000 0.0000 34085.7678 -149248.6823 297.6795 -183334.4500 -149159.5024 298.9407 137.0003 173.0018 557128.0630 9.7662 9.8422 PRESSURE: 4061400 251.639 36.0253 42.6712 36.0256 -33.1278 -46.0697 42.6703 -46.07 -23.4151 GPRESSURE: 4061400 342.745 35.7051 27.2047 -47.5493 -26.2504 -130.366 88.5421 -51.9198 -17.755 PRESSAVG: 4061400 -34.5062 -1.65421 -17.716 -1.65426 36.8721 -46.2875 -17.7161 -46.2875 -58.2045 GPRESSAVG: 4061400 -34.1389 -2.8877 -19.6193 -2.5422 37.4247 -47.6179 -17.5754 -45.6538 -58.8896 TIMING: 4061400 CPU: 12185.4, 0.00306399/step Wall: 12185.4, 0.00306399/step, 0.79885 hours remaining, 207.808594 MB of memory in use. ENERGY: 4061400 769.2905 2078.9946 1944.0926 114.1224 -206277.6287 17801.8615 0.0000 0.0000 34317.7488 -149251.5184 299.7054 -183569.2672 -149157.2537 299.0966 65.0320 99.5800 556987.8387 -18.6128 -18.5346 PRESSURE: 4061600 -90.9049 70.1148 -73.6637 70.1145 -203.015 -137.181 -73.664 -137.181 6.90804 GPRESSURE: 4061600 -98.8959 2.96905 -98.1472 147.87 -115.521 -235.028 -94.1491 5.80676 16.1532 PRESSAVG: 4061600 51.1009 43.3259 -29.1387 43.3259 -47.1969 -48.8948 -29.1388 -48.8949 16.3274 GPRESSAVG: 4061600 50.2813 45.3438 -27.3749 43.0812 -45.4198 -47.0337 -30.1067 -50.0882 15.6983 TIMING: 4061600 CPU: 12186, 0.00309064/step Wall: 12186, 0.00309064/step, 0.805627 hours remaining, 207.808594 MB of memory in use. ENERGY: 4061600 728.2572 2090.6893 1960.1588 118.6370 -206049.1785 17768.6415 0.0000 0.0000 34029.8339 -149352.9607 297.1910 -183382.7946 -149256.1369 298.8538 -95.6705 -66.0880 557605.0286 6.7438 6.8532 PRESSURE: 4061800 -107.316 -160.527 -31.323 -160.527 -154.12 -147.124 -31.3219 -147.123 -48.1429 GPRESSURE: 4061800 -93.4003 -197.09 63.3281 -83.4074 -134.847 -156.424 -30.3111 -137.636 17.5749 PRESSAVG: 4061800 -48.5558 -36.9135 -29.9357 -36.9136 -42.1105 -48.2184 -29.9357 -48.2185 89.5098 GPRESSAVG: 4061800 -50.2888 -37.755 -28.9624 -36.4973 -43.1875 -47.4324 -30.7496 -50.4705 92.3244 TIMING: 4061800 CPU: 12186.6, 0.00308202/step Wall: 12186.6, 0.00308201/step, 0.803207 hours remaining, 207.808594 MB of memory in use. ENERGY: 4061800 741.2248 2006.1096 1941.8419 122.1545 -206153.2728 17786.5054 0.0000 0.0000 34212.4100 -149343.0266 298.7855 -183555.4366 -149249.4848 298.9989 -103.1931 -70.2242 558859.5116 -0.3855 -0.3840 PRESSURE: 4062000 52.3639 33.3146 -66.2231 33.3143 -107.768 -146.77 -66.2234 -146.772 -32.1851 GPRESSURE: 4062000 75.2576 22.864 -57.4099 75.0824 -63.9932 -92.1841 -81.6441 -115.758 -15.4537 PRESSAVG: 4062000 17.982 -18.0457 -35.0427 -18.0457 -17.0045 -5.6877 -35.0427 -5.68773 -6.02848 GPRESSAVG: 4062000 20.3774 -19.4634 -35.1717 -16.8668 -17.7221 -5.71955 -34.5988 -3.59399 -7.85994 TIMING: 4062000 CPU: 12187.2, 0.00312292/step Wall: 12187.2, 0.00312292/step, 0.813694 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: 4062000 709.4504 2091.6366 1957.8242 122.8534 -206139.6550 17583.3995 0.0000 0.0000 34333.1847 -149341.3062 299.8402 -183674.4909 -149243.1951 299.1075 -29.1965 -1.3965 555800.6015 -1.6837 -1.7349 PRESSURE: 4062200 56.7029 -150.384 -64.6444 -150.384 -52.9612 -16.7627 -64.6429 -16.7624 -195.015 GPRESSURE: 4062200 12.3773 -183.834 -137.263 -50.2225 -12.0632 -40.0766 2.91444 -66.4274 -105.311 PRESSAVG: 4062200 -60.2966 -8.78518 6.35852 -8.78517 32.1734 53.5028 6.35849 53.5027 30.5409 GPRESSAVG: 4062200 -62.6851 -7.52163 4.4697 -8.31145 33.4147 50.7362 6.19614 53.2142 31.6049 TIMING: 4062200 CPU: 12187.8, 0.00308989/step Wall: 12187.8, 0.00308989/step, 0.804917 hours remaining, 207.808594 MB of memory in use. ENERGY: 4062200 747.3472 2100.8153 1942.9932 120.7867 -206095.4238 17698.3209 0.0000 0.0000 34243.6572 -149241.5034 299.0584 -183485.1606 -149142.4395 299.3325 -63.7576 -34.9990 557724.8183 0.8059 0.7782 PRESSURE: 4062400 178.334 -234.226 117.017 -234.227 263.435 -59.0873 117.016 -59.0863 -56.1618 GPRESSURE: 4062400 212.681 -242.62 176.725 -206.323 294.056 34.71 153.449 -146.585 -24.1418 PRESSAVG: 4062400 -36.1165 2.80339 72.4655 2.80343 44.6222 41.1223 72.4656 41.1223 -34.3718 GPRESSAVG: 4062400 -34.7858 2.86363 75.6947 1.35615 44.0392 42.4491 69.4567 41.1433 -35.6293 TIMING: 4062400 CPU: 12188.4, 0.00304912/step Wall: 12188.4, 0.00304912/step, 0.794125 hours remaining, 207.808594 MB of memory in use. ENERGY: 4062400 735.4108 2099.5616 1943.3918 103.9412 -206559.4075 18084.6117 0.0000 0.0000 34197.3303 -149395.1600 298.6538 -183592.4903 -149296.4070 298.9383 128.5358 160.8650 557184.3849 -8.6220 -8.7920 PRESSURE: 4062600 -194.725 91.6132 134.345 91.6107 -20.9854 48.7662 134.345 48.7653 -151.232 GPRESSURE: 4062600 -161.164 118.196 171.558 100.459 -11.754 43.6824 39.9495 57.3983 -104.068 PRESSAVG: 4062600 -113.121 13.8627 25.2999 13.8627 43.5239 -0.616619 25.3 -0.616627 29.5827 GPRESSAVG: 4062600 -112.22 15.095 24.034 13.7561 42.3514 -1.02174 26.3123 -0.816924 29.8831 TIMING: 4062600 CPU: 12189.1, 0.00304604/step Wall: 12189.1, 0.00304604/step, 0.793154 hours remaining, 207.808594 MB of memory in use. ENERGY: 4062600 760.8862 2114.2467 1932.2803 106.5237 -206441.3790 17883.8315 0.0000 0.0000 34278.3382 -149365.2724 299.3613 -183643.6106 -149267.8380 298.6660 -122.3140 -92.3285 558209.8412 -13.3380 -13.3287 PRESSURE: 4062800 -85.2627 78.0312 22.8362 78.03 91.1577 88.1405 22.8363 88.1383 71.0538 GPRESSURE: 4062800 -31.3899 83.9865 -72.1637 10.3683 72.5627 92.782 24.7926 64.9327 132.614 PRESSAVG: 4062800 -65.5195 18.3709 -32.7991 18.371 85.4286 -2.06473 -32.7991 -2.06481 -17.6549 GPRESSAVG: 4062800 -65.9232 18.8738 -33.7847 17.6896 85.9794 -1.59926 -30.9063 -2.83761 -18.3686 TIMING: 4062800 CPU: 12189.7, 0.0030593/step Wall: 12189.7, 0.0030593/step, 0.796437 hours remaining, 207.808594 MB of memory in use. ENERGY: 4062800 688.1299 2102.0199 1939.7819 116.2002 -206497.2943 17797.8002 0.0000 0.0000 34369.8947 -149483.4676 300.1608 -183853.3622 -149387.1615 298.9338 25.6496 57.9288 557046.8749 0.7514 0.5625 PRESSURE: 4063000 -24.5167 56.7979 31.3518 56.798 409.795 196.023 31.3533 196.021 37.8624 GPRESSURE: 4063000 18.7328 17.8451 46.996 40.3255 444.641 244.893 43.6312 78.3399 55.8295 PRESSAVG: 4063000 -39.3255 -1.86473 -21.4931 -1.86478 60.8098 10.8839 -21.4932 10.8838 -29.3476 GPRESSAVG: 4063000 -38.2084 -4.4628 -22.2853 -1.68889 59.182 10.1602 -21.4708 11.0072 -28.8171 TIMING: 4063000 CPU: 12190.3, 0.00307683/step Wall: 12190.3, 0.00307683/step, 0.800829 hours remaining, 207.808594 MB of memory in use. ENERGY: 4063000 749.4614 2078.9691 1953.4795 131.4101 -206550.6990 18054.0566 0.0000 0.0000 34120.6363 -149462.6860 297.9840 -183583.3223 -149363.3995 298.1415 141.0469 173.0676 557527.9728 -2.6211 -2.6145 PRESSURE: 4063200 -111.268 125.425 41.3231 125.425 -122.365 136.552 41.3226 136.552 -126.095 GPRESSURE: 4063200 -93.5481 102.306 7.49293 108.869 -69.1428 210.132 62.7023 53.8541 -96.2046 PRESSAVG: 4063200 -45.6418 22.2569 34.0249 22.2569 7.42141 47.4178 34.0248 47.4178 20.1683 GPRESSAVG: 4063200 -47.416 24.3368 36.5416 21.3291 9.93211 47.496 32.559 48.0214 19.3791 TIMING: 4063200 CPU: 12190.9, 0.00308159/step Wall: 12190.9, 0.00308159/step, 0.801899 hours remaining, 207.808594 MB of memory in use. ENERGY: 4063200 750.6591 2049.7154 1974.4575 106.1559 -206206.8682 17747.3243 0.0000 0.0000 34162.3295 -149416.2266 298.3481 -183578.5561 -149323.6692 298.3814 -119.9095 -86.2985 558639.0484 -6.0174 -6.0350 PRESSURE: 4063400 -251.412 -89.3144 2.66367 -89.3155 -274.31 -25.114 2.66474 -25.1146 -30.173 GPRESSURE: 4063400 -201.077 -100.895 48.566 -121.432 -239.634 8.59911 8.95831 47.1054 -20.7469 PRESSAVG: 4063400 -37.6599 22.6124 29.6827 22.6124 -4.89802 -14.8974 29.6826 -14.8974 39.463 GPRESSAVG: 4063400 -36.8626 21.0726 27.5373 24.5322 -6.84182 -15.9746 29.3509 -14.5857 40.6057 TIMING: 4063400 CPU: 12191.5, 0.00307688/step Wall: 12191.5, 0.00307688/step, 0.800503 hours remaining, 207.808594 MB of memory in use. ENERGY: 4063400 747.0875 2062.3160 1935.2192 126.3393 -206004.2483 17470.4786 0.0000 0.0000 34067.8825 -149594.9252 297.5233 -183662.8077 -149502.8742 298.6797 -185.2984 -153.8193 557516.1953 -1.0316 -1.0329 PRESSURE: 4063600 -62.1681 21.9823 57.9366 21.9816 -3.20596 9.79858 57.9351 9.79739 -128.166 GPRESSURE: 4063600 -69.6082 -5.62012 -87.0024 14.405 27.4623 34.3797 127.69 61.5737 -51.0671 PRESSAVG: 4063600 -50.7095 -8.76998 40.8296 -8.76989 -9.0874 -48.3005 40.8297 -48.3005 76.8546 GPRESSAVG: 4063600 -50.5999 -9.47201 41.2292 -8.66468 -8.14325 -46.1489 41.1976 -48.9816 75.9319 TIMING: 4063600 CPU: 12192.1, 0.00310614/step Wall: 12192.1, 0.00310614/step, 0.807941 hours remaining, 207.808594 MB of memory in use. ENERGY: 4063600 741.5835 2086.1446 1976.4820 120.6872 -206097.5037 17679.7526 0.0000 0.0000 33984.5669 -149508.2869 296.7957 -183492.8538 -149416.9160 298.4721 -64.5134 -31.0710 556568.8897 5.6859 5.7296 PRESSURE: 4063800 -138.291 -74.9645 109.3 -74.9637 -33.1935 -105.665 109.3 -105.663 -289.685 GPRESSURE: 4063800 -63.8914 -141.514 190.87 -59.0776 -34.5489 -61.1818 73.1972 -201.93 -265.496 PRESSAVG: 4063800 -85.3958 -7.88575 20.3215 -7.88576 76.5691 -23.7742 20.3214 -23.7741 -20.4111 GPRESSAVG: 4063800 -86.1597 -7.16514 20.9943 -6.72828 76.4609 -24.1743 19.3748 -24.0264 -19.3209 TIMING: 4063800 CPU: 12192.7, 0.00308557/step Wall: 12192.7, 0.00308557/step, 0.802419 hours remaining, 207.808594 MB of memory in use. ENERGY: 4063800 712.5431 2112.3998 1933.6196 121.4199 -206411.5220 17727.9282 0.0000 0.0000 34301.7338 -149501.8776 299.5656 -183803.6115 -149406.4377 298.3255 -153.7235 -121.3123 557759.2720 -9.7459 -9.6732 PRESSURE: 4064000 75.7769 77.7656 -19.0049 77.7671 103.381 37.2828 -19.0061 37.2833 -163.264 GPRESSURE: 4064000 115.995 41.9015 45.817 62.6798 130.179 37.8811 -62.9315 37.576 -142.337 PRESSAVG: 4064000 -11.1095 23.2924 -14.3439 23.2924 1.8407 -26.9553 -14.344 -26.9552 9.78262 GPRESSAVG: 4064000 -9.45477 20.4476 -15.9669 22.554 0.501603 -26.726 -12.6418 -26.1405 9.47495 TIMING: 4064000 CPU: 12193.4, 0.00305948/step Wall: 12193.4, 0.00305948/step, 0.795466 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: 4064000 692.3937 2161.2541 1948.9452 108.5039 -206361.6253 17923.7180 0.0000 0.0000 34109.5282 -149417.2822 297.8870 -183526.8104 -149327.8255 297.8315 5.2981 34.6122 559161.3308 0.1713 0.1739 PRESSURE: 4064200 -29.626 125.26 14.5162 125.26 73.8126 105.461 14.5158 105.46 293.849 GPRESSURE: 4064200 -13.5801 197.24 -43.9618 -8.27538 122.732 96.0697 46.2095 108.303 341.654 PRESSAVG: 4064200 12.5211 -17.7589 -8.14079 -17.7589 53.8764 38.6467 -8.14077 38.6465 -54.8417 GPRESSAVG: 4064200 10.7335 -15.4773 -9.61151 -18.5667 56.1326 39.7916 -5.63894 38.4292 -54.9742 TIMING: 4064200 CPU: 12194, 0.00306007/step Wall: 12194, 0.00306007/step, 0.795449 hours remaining, 207.808594 MB of memory in use. ENERGY: 4064200 678.8735 2052.6998 1954.3869 129.2082 -206250.0246 18015.1053 0.0000 0.0000 33981.1681 -149438.5828 296.7660 -183419.7509 -149347.9465 297.7638 112.6784 150.2688 558052.9141 3.8520 3.9640 LDB: ============= START OF LOAD BALANCING ============== 12197.4 LDB: ============== END OF LOAD BALANCING =============== 12197.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12197.4 LDB: ============= START OF LOAD BALANCING ============== 12197.7 LDB: Largest compute 4822 load 0.023337 is 19.7% of average load 0.118167 LDB: Average compute 0.001719 is 1.5% of average load 0.118167 LDB: TIME 12197.7 LOAD: AVG 0.118167 MAX 0.218879 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.039 MB LDB: TIME 12197.7 LOAD: AVG 0.118167 MAX 0.218879 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.043 MB LDB: TIME 12197.7 LOAD: AVG 0.118167 MAX 0.218879 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12197.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12197.7 PRESSURE: 4064400 58.875 45.7432 27.7161 45.7424 -503.929 -21.3828 27.7159 -21.3838 -155.554 GPRESSURE: 4064400 41.4525 -6.89504 -109.585 128.159 -395.212 24.7644 65.4292 -7.58314 -144.139 PRESSAVG: 4064400 1.51676 16.9359 -32.8185 16.936 14.6864 -9.1316 -32.8185 -9.13161 -36.3352 GPRESSAVG: 4064400 2.09935 18.5498 -32.1329 17.3624 13.4767 -10.5055 -35.2546 -9.16894 -35.9354 TIMING: 4064400 CPU: 12194.6, 0.0031133/step Wall: 12194.6, 0.0031133/step, 0.809113 hours remaining, 207.238281 MB of memory in use. ENERGY: 4064400 746.3517 2073.9052 1975.0201 103.9936 -206103.3280 17491.7585 0.0000 0.0000 34291.5229 -149420.7758 299.4764 -183712.2987 -149324.5184 297.8398 -200.2026 -165.9660 558262.3722 -6.7107 -6.7865 PRESSURE: 4064600 83.9156 -11.4521 52.8252 -11.4532 -64.909 128.994 52.8251 128.993 -408.105 GPRESSURE: 4064600 71.0103 70.0355 63.7168 -79.7747 11.6929 80.994 108.678 105.531 -368.917 PRESSAVG: 4064600 101.138 -36.2222 4.6146 -36.2222 -49.8216 62.2579 4.61476 62.258 -2.23817 GPRESSAVG: 4064600 100.503 -38.5647 6.98572 -37.0724 -48.5813 62.8672 2.94039 62.6849 -3.11451 TIMING: 4064600 CPU: 12195.2, 0.0030397/step Wall: 12195.2, 0.0030397/step, 0.789815 hours remaining, 207.238281 MB of memory in use. ENERGY: 4064600 715.0658 2061.5825 1968.4901 115.8654 -205978.9663 17699.2770 0.0000 0.0000 34178.4367 -149240.2488 298.4888 -183418.6856 -149147.5849 298.6426 -129.6995 -95.4047 558661.4267 16.3595 16.2690 PRESSURE: 4064800 26.2385 -177.176 71.6548 -177.177 107.03 14.5849 71.6557 14.5858 54.192 GPRESSURE: 4064800 74.6053 -184.056 87.3469 -127.919 162.319 -32.8605 68.588 19.2921 37.3922 PRESSAVG: 4064800 45.9568 33.903 -32.129 33.903 46.8009 37.917 -32.1292 37.917 -66.4846 GPRESSAVG: 4064800 46.3594 34.6503 -35.8495 34.2531 44.9912 37.1461 -28.5337 36.9182 -65.2876 TIMING: 4064800 CPU: 12195.8, 0.00306577/step Wall: 12195.8, 0.00306577/step, 0.796418 hours remaining, 207.238281 MB of memory in use. ENERGY: 4064800 716.8522 2054.8460 1962.4741 120.4149 -206488.0353 17961.8795 0.0000 0.0000 34355.7508 -149315.8178 300.0373 -183671.5686 -149220.9540 299.3049 62.4870 91.4388 558357.1917 8.7577 8.6877 PRESSURE: 4065000 381.5 37.4591 -156.458 37.4575 -27.0874 36.6977 -156.457 36.6966 -168.304 GPRESSURE: 4065000 363.884 91.1469 -132.752 -9.21419 55.6519 91.2171 -157.452 29.8397 -144.439 PRESSAVG: 4065000 77.3528 14.8481 2.47372 14.8481 35.8839 -12.7388 2.47365 -12.7388 -67.5312 GPRESSAVG: 4065000 76.6391 14.967 4.60023 15.3671 36.3383 -13.4961 -1.26104 -10.1827 -67.9375 TIMING: 4065000 CPU: 12196.4, 0.0031059/step Wall: 12196.4, 0.0031059/step, 0.80667 hours remaining, 207.238281 MB of memory in use. ENERGY: 4065000 701.2064 2157.0474 1967.1596 108.1835 -206464.7855 17973.0354 0.0000 0.0000 34231.4866 -149326.6665 298.9521 -183558.1531 -149222.8216 299.4644 62.0363 91.6990 558443.9752 15.2352 15.0133 PRESSURE: 4065200 -232.848 74.5795 -111.315 74.579 -219.367 -40.1524 -111.315 -40.1531 132.545 GPRESSURE: 4065200 -209.637 68.6742 -52.5091 60.3137 -179.685 -35.9679 -79.8254 -54.0729 179.982 PRESSAVG: 4065200 -11.1573 -4.13965 -60.035 -4.13974 45.5409 23.4402 -60.0351 23.4404 -40.6078 GPRESSAVG: 4065200 -11.4983 -4.61394 -60.4344 -5.38215 46.248 24.8491 -57.9262 21.0673 -40.7859 TIMING: 4065200 CPU: 12197.1, 0.00307888/step Wall: 12197.1, 0.00307888/step, 0.799481 hours remaining, 207.238281 MB of memory in use. ENERGY: 4065200 771.7215 2108.2013 1963.3443 109.1436 -206372.6897 17934.3793 0.0000 0.0000 34169.9453 -149315.9543 298.4146 -183485.8996 -149219.5367 299.4671 -106.5567 -69.7800 559121.5817 -2.0747 -2.0121 PRESSURE: 4065400 -2.10383 20.5996 -88.3442 20.6003 -164.455 1.64327 -88.3436 1.64306 -251.171 GPRESSURE: 4065400 32.9611 -7.81726 -36.3258 43.446 -134.178 6.34658 -134.658 92.1391 -213.506 PRESSAVG: 4065400 53.377 12.624 -22.8693 12.6241 -34.0201 28.5172 -22.8693 28.5171 -46.4493 GPRESSAVG: 4065400 53.0874 11.829 -22.9984 14.2177 -34.0101 27.1067 -23.1752 29.9327 -46.1122 TIMING: 4065400 CPU: 12197.7, 0.0030745/step Wall: 12197.7, 0.0030745/step, 0.798174 hours remaining, 207.238281 MB of memory in use. ENERGY: 4065400 723.6709 2117.1174 1949.2823 131.8058 -206334.9263 17724.3352 0.0000 0.0000 34269.3488 -149419.3658 299.2827 -183688.7146 -149322.1990 299.4737 -139.2433 -104.9077 558298.7802 -9.0308 -9.0116 PRESSURE: 4065600 141.447 195.633 101.469 195.633 -264.637 -172.213 101.467 -172.214 177.119 GPRESSURE: 4065600 232.425 140.905 63.2793 247.298 -266.696 -82.4819 139.736 -251.066 183.679 PRESSAVG: 4065600 96.1502 3.43464 -52.0588 3.43473 -10.5814 -7.65048 -52.0588 -7.65029 -56.7782 GPRESSAVG: 4065600 96.1948 4.82378 -54.1065 0.89928 -10.9318 -6.52028 -50.1889 -8.55892 -55.9005 TIMING: 4065600 CPU: 12198.3, 0.00311034/step Wall: 12198.3, 0.00311034/step, 0.807305 hours remaining, 207.238281 MB of memory in use. ENERGY: 4065600 738.1924 2093.0250 1956.1312 118.1180 -206482.2674 17928.6998 0.0000 0.0000 34090.4686 -149557.6324 297.7205 -183648.1011 -149462.6059 299.2670 17.9761 49.8030 557146.2965 9.5968 9.7875 PRESSURE: 4065800 151.628 120.675 74.3672 120.674 293.531 70.9706 74.3655 70.9693 -113.717 GPRESSURE: 4065800 185.457 139.327 76.3336 161.755 320.801 75.196 98.3409 46.2818 -77.8269 PRESSAVG: 4065800 13.9459 -1.32295 -25.4417 -1.32298 -73.261 38.0945 -25.4417 38.0945 22.4953 GPRESSAVG: 4065800 13.1608 -1.61543 -24.7008 -0.669286 -72.0515 38.0609 -25.6264 37.9386 21.8676 TIMING: 4065800 CPU: 12198.9, 0.00308308/step Wall: 12198.9, 0.00308308/step, 0.800058 hours remaining, 207.304688 MB of memory in use. ENERGY: 4065800 761.1709 2106.6314 1909.4292 122.3498 -206753.4141 18191.1554 0.0000 0.0000 34152.2944 -149510.3829 298.2605 -183662.6774 -149415.1463 298.3676 110.4808 142.8105 557010.0198 -12.2733 -12.3411 PRESSURE: 4066000 67.3585 12.4684 161.084 12.4685 -43.4503 60.1155 161.083 60.1157 -23.3677 GPRESSURE: 4066000 143.154 -10.6227 150.508 14.389 -9.61539 65.6783 177.873 10.9299 -33.5652 PRESSAVG: 4066000 -31.7315 29.4191 34.2066 29.4192 35.6597 -10.5334 34.2066 -10.5335 -4.32711 GPRESSAVG: 4066000 -29.2356 30.6062 35.0798 29.2073 33.3488 -9.4924 34.1536 -11.6809 -5.08148 TIMING: 4066000 CPU: 12199.5, 0.00307395/step Wall: 12199.5, 0.00307395/step, 0.797519 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: 4066000 714.2031 2052.5283 1960.9098 120.0436 -206286.1156 17739.9219 0.0000 0.0000 34205.0540 -149493.4549 298.7212 -183698.5089 -149384.2825 298.0517 0.1802 33.3243 557307.5232 -0.1330 -0.3228 PRESSURE: 4066200 -243.498 -132.058 -145.916 -132.059 -188.627 72.8037 -145.917 72.8041 -303.488 GPRESSURE: 4066200 -238.59 -66.2961 -178.628 -185.539 -151.275 58.901 -73.0951 68.0889 -248.58 PRESSAVG: 4066200 -24.5773 -20.6915 50.4073 -20.6916 61.8297 89.6399 50.4073 89.6399 -0.921675 GPRESSAVG: 4066200 -26.0665 -21.2234 50.3259 -19.0841 62.2727 88.2401 48.8591 92.2012 -0.331822 TIMING: 4066200 CPU: 12200.1, 0.00309399/step Wall: 12200.1, 0.00309399/step, 0.802547 hours remaining, 207.304688 MB of memory in use. ENERGY: 4066200 748.4477 2154.9054 1939.5298 127.6474 -206016.6595 17439.8474 0.0000 0.0000 34178.5758 -149427.7061 298.4900 -183606.2819 -149326.9180 298.0884 -245.2043 -212.8148 558475.1875 12.1102 11.9581 PRESSURE: 4066400 -232.813 -5.24934 20.9537 -5.2493 -349.642 44.649 20.9538 44.6496 -14.1019 GPRESSURE: 4066400 -214.375 37.284 10.2718 -43.2873 -370.579 -24.3387 9.58292 84.2742 61.9284 PRESSAVG: 4066400 12.3942 31.5236 59.0906 31.5237 1.50796 26.5417 59.0907 26.5418 -22.766 GPRESSAVG: 4066400 11.8726 30.5529 59.2647 30.0303 1.37511 25.1998 59.0068 25.8266 -21.8384 TIMING: 4066400 CPU: 12200.8, 0.00309407/step Wall: 12200.8, 0.00309407/step, 0.802396 hours remaining, 207.304688 MB of memory in use. ENERGY: 4066400 799.0124 2083.6187 1967.1480 107.6927 -206320.8942 17660.1319 0.0000 0.0000 34278.4601 -149424.8303 299.3623 -183703.2904 -149325.1723 298.5636 -198.8523 -174.3421 558299.9416 -2.9546 -2.8636 PRESSURE: 4066600 96.0964 -20.8431 -0.168203 -20.8431 107.851 89.9862 -0.166992 89.9866 -130.675 GPRESSURE: 4066600 97.4991 5.18208 37.5268 -25.5759 134.643 117.75 48.1704 134.431 -60.7647 PRESSAVG: 4066600 9.09922 -11.4316 10.452 -11.4316 17.2486 14.753 10.452 14.7531 -29.3558 GPRESSAVG: 4066600 10.5769 -9.39189 11.0459 -11.526 17.5461 14.6357 11.8794 17.6637 -30.3205 TIMING: 4066600 CPU: 12201.4, 0.00308805/step Wall: 12201.4, 0.00308805/step, 0.800664 hours remaining, 207.304688 MB of memory in use. ENERGY: 4066600 755.2740 2056.2073 1970.5000 120.4045 -206652.9408 18035.6569 0.0000 0.0000 34149.2297 -149565.6684 298.2337 -183714.8981 -149462.9564 298.8387 24.4242 57.1257 557488.3483 -1.0026 -0.7325 PRESSURE: 4066800 166.753 94.3667 -10.4013 94.3664 -55.9923 76.1139 -10.402 76.1139 -204.144 GPRESSURE: 4066800 194.832 82.9805 -54.837 67.9997 -54.6174 147.421 41.6633 45.2824 -139.076 PRESSAVG: 4066800 16.8365 -7.70655 26.7636 -7.70651 10.9122 39.9461 26.7636 39.9462 -39.4424 GPRESSAVG: 4066800 16.1958 -7.65726 26.6833 -7.54346 10.3259 43.3184 24.2041 35.6171 -37.8555 TIMING: 4066800 CPU: 12202, 0.00312324/step Wall: 12202, 0.00312324/step, 0.809613 hours remaining, 207.304688 MB of memory in use. ENERGY: 4066800 740.3343 2097.1149 1944.2383 117.8737 -206667.0612 17880.5023 0.0000 0.0000 34272.6023 -149614.3953 299.3112 -183886.9977 -149519.3762 298.8290 -31.1277 0.3793 558118.6769 -3.8979 -3.7779 PRESSURE: 4067000 92.9443 118.801 -36.8001 118.801 -76.2693 -97.2555 -36.7997 -97.255 144.71 GPRESSURE: 4067000 125.489 152.382 -67.2808 92.8833 -37.5563 -68.8667 -39.2955 -109.394 177.495 PRESSAVG: 4067000 4.12435 3.50143 35.185 3.50146 1.7785 41.1714 35.185 41.1713 0.575621 GPRESSAVG: 4067000 3.57827 3.36723 35.8267 3.42844 3.02986 38.6613 33.9974 43.383 0.0256547 TIMING: 4067000 CPU: 12202.6, 0.00309389/step Wall: 12202.6, 0.00309389/step, 0.801832 hours remaining, 207.304688 MB of memory in use. ENERGY: 4067000 737.0833 2093.7243 1962.0102 114.2590 -206443.4120 17969.6950 0.0000 0.0000 34169.9792 -149396.6612 298.4149 -183566.6404 -149304.9575 298.5478 53.7950 88.4759 557385.7724 2.1595 2.2113 PRESSURE: 4067200 116.794 -88.216 -122.224 -88.2156 -258.908 -102.875 -122.226 -102.875 -7.94477 GPRESSURE: 4067200 161.141 -2.60404 -49.1864 -132.487 -217.745 -106.758 -216.206 -34.2831 -0.185929 PRESSAVG: 4067200 86.7848 -23.2385 -12.3943 -23.2385 -20.5029 14.7058 -12.3943 14.7058 -40.9717 GPRESSAVG: 4067200 87.7618 -23.2988 -14.6855 -23.7035 -19.9642 17.3905 -11.5275 12.8611 -42.9328 TIMING: 4067200 CPU: 12203.2, 0.00309565/step Wall: 12203.2, 0.00309565/step, 0.802118 hours remaining, 207.304688 MB of memory in use. ENERGY: 4067200 775.5730 2099.2502 1946.1630 114.5394 -206482.9328 18029.7844 0.0000 0.0000 34238.3923 -149279.2306 299.0124 -183517.6229 -149175.9914 299.4100 -50.0195 -18.9299 558745.0929 8.4368 8.2883 PRESSURE: 4067400 -50.2186 31.7736 66.8827 31.7735 -3.19181 81.1748 66.882 81.1739 143.881 GPRESSURE: 4067400 65.3407 49.5061 107.618 50.4716 11.041 146.33 58.2371 78.4503 110.625 PRESSAVG: 4067400 53.7587 23.156 -9.11514 23.156 -47.0064 16.6823 -9.11507 16.6824 4.92975 GPRESSAVG: 4067400 53.9498 21.6627 -7.22808 23.8975 -48.6495 12.33 -7.44561 18.4477 6.64922 TIMING: 4067400 CPU: 12203.9, 0.00308864/step Wall: 12203.9, 0.00308864/step, 0.800129 hours remaining, 207.304688 MB of memory in use. ENERGY: 4067400 777.7495 2032.0269 1947.2193 108.6568 -206497.2298 17906.2244 0.0000 0.0000 34536.4866 -149188.8662 301.6157 -183725.3528 -149087.2355 299.6010 30.1569 62.3358 558010.8808 3.8940 3.9832 PRESSURE: 4067600 -49.0322 3.1509 -319.109 3.15107 325.785 25.6007 -319.109 25.6023 135.327 GPRESSURE: 4067600 -6.5578 20.6131 -384.859 -8.51236 307.71 74.0514 -277.693 43.954 199.046 PRESSAVG: 4067600 22.6613 27.4855 -12.3686 27.4855 -1.905 107.449 -12.3686 107.449 -15.8331 GPRESSAVG: 4067600 23.0361 28.0697 -14.646 25.9664 -1.36433 110.508 -11.5607 105.424 -16.5729 TIMING: 4067600 CPU: 12204.5, 0.00308139/step Wall: 12204.5, 0.00308139/step, 0.798081 hours remaining, 207.304688 MB of memory in use. ENERGY: 4067600 749.4119 2043.1095 1939.0622 114.5452 -206397.5034 17996.1008 0.0000 0.0000 34401.3430 -149153.9308 300.4355 -183555.2738 -149055.1779 299.5104 137.3601 166.7327 559084.1125 1.6411 1.6996 PRESSURE: 4067800 34.1424 94.4141 -112.484 94.4143 -122.911 -163.543 -112.484 -163.543 -70.2534 GPRESSURE: 4067800 53.609 85.4878 -41.2587 131.61 -45.4161 -151.62 -112.198 -132.007 -60.5173 PRESSAVG: 4067800 12.0309 -25.1355 -29.2237 -25.1356 -22.3396 50.8115 -29.2237 50.8115 39.7229 GPRESSAVG: 4067800 11.8005 -24.0733 -28.378 -23.0294 -22.9431 51.369 -27.236 51.4964 40.8912 TIMING: 4067800 CPU: 12205.1, 0.00310075/step Wall: 12205.1, 0.00310075/step, 0.802922 hours remaining, 207.304688 MB of memory in use. ENERGY: 4067800 744.8421 2135.3398 1929.7386 128.2553 -206025.4959 17779.6252 0.0000 0.0000 34245.5712 -149062.1238 299.0751 -183307.6949 -148967.5409 299.5658 -53.0072 -17.4414 558970.0143 9.8047 9.9162 PRESSURE: 4068000 59.5633 -112.073 -68.9103 -112.073 75.622 -39.6269 -68.9098 -39.6279 494.23 GPRESSURE: 4068000 102.004 -65.6289 -59.119 -139.567 87.9654 -74.8556 0.912537 -13.2322 527.322 PRESSAVG: 4068000 2.12119 -9.35765 -78.1027 -9.35761 -24.8287 -37.2458 -78.1027 -37.2459 14.2637 GPRESSAVG: 4068000 1.64577 -7.6555 -79.0213 -12.1728 -25.4485 -36.1045 -78.0365 -36.5419 14.8541 TIMING: 4068000 CPU: 12205.7, 0.00308237/step Wall: 12205.7, 0.00308237/step, 0.79799 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: 4068000 708.4663 2124.6531 1982.6530 119.7352 -206552.3749 18063.0142 0.0000 0.0000 34416.2573 -149137.5958 300.5657 -183553.8531 -149043.2913 299.8283 209.8050 239.0972 556468.9077 -2.8146 -2.9829 PRESSURE: 4068200 -25.6317 -7.76736 -148.765 -7.76841 -241.018 105.878 -148.765 105.878 164.87 GPRESSURE: 4068200 18.8096 -33.494 -252.396 67.163 -186.556 117.394 -202.107 88.7761 152.217 PRESSAVG: 4068200 -12.1664 27.5022 -27.2214 27.5021 12.6826 -30.2217 -27.2215 -30.2217 -10.1022 GPRESSAVG: 4068200 -11.6246 24.4194 -26.0988 30.5805 13.5417 -32.729 -29.5993 -29.0666 -11.2118 TIMING: 4068200 CPU: 12206.3, 0.00310676/step Wall: 12206.3, 0.00310676/step, 0.804132 hours remaining, 207.304688 MB of memory in use. ENERGY: 4068200 771.8522 2171.0883 1943.5977 111.9558 -205650.4590 17437.7673 0.0000 0.0000 34120.4405 -149093.7571 297.9823 -183214.1976 -148997.8906 299.1008 -33.9265 -5.1766 556206.7636 -3.1953 -3.0983 LDB: ============= START OF LOAD BALANCING ============== 12209.8 LDB: ============== END OF LOAD BALANCING =============== 12209.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12209.8 LDB: ============= START OF LOAD BALANCING ============== 12210.1 LDB: Largest compute 4820 load 0.023340 is 19.8% of average load 0.118089 LDB: Average compute 0.001718 is 1.5% of average load 0.118089 LDB: TIME 12210.1 LOAD: AVG 0.118089 MAX 0.222904 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.801 MB LDB: TIME 12210.1 LOAD: AVG 0.118089 MAX 0.222904 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.004 MB LDB: TIME 12210.1 LOAD: AVG 0.118089 MAX 0.222904 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.004 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12210.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12210.1 PRESSURE: 4068400 -69.7037 -94.9663 28.6874 -94.9669 -57.9648 -23.5433 28.6864 -23.5452 -145.376 GPRESSURE: 4068400 -62.5939 -211.09 55.5476 14.6664 -31.3145 -30.4932 -16.1499 -1.95859 -92.9914 PRESSAVG: 4068400 -17.3284 -18.4461 -11.1198 -18.4461 6.90509 -35.5175 -11.1198 -35.5175 -12.6403 GPRESSAVG: 4068400 -18.0573 -19.8889 -10.8619 -18.8299 6.99908 -34.7864 -11.3909 -36.0695 -11.7181 TIMING: 4068400 CPU: 12207, 0.00314046/step Wall: 12207, 0.00314046/step, 0.812681 hours remaining, 208.261719 MB of memory in use. ENERGY: 4068400 768.6944 2058.3703 1934.4377 107.1942 -206216.9782 17745.9038 0.0000 0.0000 34521.5069 -149080.8709 301.4849 -183602.3778 -148980.9849 300.0367 -91.0149 -62.2999 556992.3254 -7.6879 -7.5921 PRESSURE: 4068600 -223.759 -78.7142 -75.1335 -78.7145 -192.866 -10.5197 -75.1336 -10.5202 -217.04 GPRESSURE: 4068600 -235.44 -131.695 -72.2582 -68.0137 -97.3223 7.01415 -95.7647 20.8931 -203.421 PRESSAVG: 4068600 -45.6109 7.97892 -21.8914 7.97875 14.495 -20.027 -21.8914 -20.027 14.9419 GPRESSAVG: 4068600 -45.5959 11.4719 -21.4054 6.15979 14.6974 -22.3218 -21.7003 -18.0123 14.3871 TIMING: 4068600 CPU: 12207.6, 0.00309808/step Wall: 12207.6, 0.00309808/step, 0.801543 hours remaining, 208.519531 MB of memory in use. ENERGY: 4068600 740.4488 2044.4648 1949.7312 117.9278 -205598.1435 17345.2635 0.0000 0.0000 34279.0176 -149121.2898 299.3672 -183400.3074 -149021.6227 299.6227 -211.2216 -178.7277 557645.9862 -5.3913 -5.5038 PRESSURE: 4068800 -197.759 -120.606 -19.2199 -120.606 -86.8255 -54.0934 -19.2202 -54.0942 -177.235 GPRESSURE: 4068800 -166.289 -154.166 -89.1911 -20.5293 -87.107 -13.4744 -20.7323 -59.9737 -109.29 PRESSAVG: 4068800 -14.7092 -23.809 -4.66797 -23.809 7.57392 -19.4788 -4.66791 -19.4788 36.1778 GPRESSAVG: 4068800 -14.0691 -24.835 -4.61289 -23.5797 7.73625 -19.011 -4.92331 -21.1014 35.2852 TIMING: 4068800 CPU: 12208.2, 0.00307464/step Wall: 12208.2, 0.00307464/step, 0.795307 hours remaining, 208.519531 MB of memory in use. ENERGY: 4068800 778.8776 2103.7622 1960.6960 99.5187 -205904.1904 17633.6658 0.0000 0.0000 34333.2413 -148994.4288 299.8407 -183327.6701 -148893.3732 299.8385 -153.9398 -120.8954 556964.8515 9.6808 9.6508 PRESSURE: 4069000 -137.01 -13.6048 -199.97 -13.6049 -189.476 -53.2073 -199.971 -53.2059 -327.608 GPRESSURE: 4069000 -129.703 84.3177 -146.459 -81.3666 -187.535 -104.503 -258.818 -23.2013 -263.689 PRESSAVG: 4069000 -25.0276 6.37271 -91.8895 6.37267 11.6531 -48.3449 -91.8894 -48.3449 44.7015 GPRESSAVG: 4069000 -25.2289 4.62005 -92.3025 7.21839 11.2465 -47.5522 -92.2212 -47.9424 44.8576 TIMING: 4069000 CPU: 12208.8, 0.00307096/step Wall: 12208.8, 0.00307096/step, 0.794183 hours remaining, 208.585938 MB of memory in use. ENERGY: 4069000 763.2970 2123.0682 1971.4139 116.8374 -205823.6625 17587.4542 0.0000 0.0000 34323.6404 -148937.9513 299.7569 -183261.5918 -148838.2691 299.4737 -218.0315 -193.6424 557725.0535 10.4423 10.2917 PRESSURE: 4069200 -16.9118 -71.6492 -113.759 -71.648 -16.7691 36.688 -113.76 36.6881 -230.572 GPRESSURE: 4069200 75.1582 -70.0298 -41.9054 -175.432 0.599007 40.0822 -100.772 6.81929 -248.441 PRESSAVG: 4069200 3.29481 -98.0418 -37.2727 -98.0419 5.70828 17.8887 -37.2728 17.8887 -40.2466 GPRESSAVG: 4069200 2.84541 -96.1287 -36.6039 -99.2049 6.7975 17.1073 -35.7005 18.0619 -40.6804 TIMING: 4069200 CPU: 12209.4, 0.00307232/step Wall: 12209.4, 0.00307232/step, 0.794364 hours remaining, 208.585938 MB of memory in use. ENERGY: 4069200 805.4259 2117.2967 1942.4606 120.5219 -205829.5480 17703.7434 0.0000 0.0000 34285.8669 -148854.2327 299.4270 -183140.0995 -148759.4931 300.5155 -88.0842 -57.5613 557737.9618 -10.4145 -10.3458 PRESSURE: 4069400 -41.8521 99.4003 -86.4106 99.3989 -427.309 75.6806 -86.4103 75.6804 -36.3679 GPRESSURE: 4069400 -63.8956 91.7582 -96.2308 17.5744 -369.596 66.9392 -36.8269 109.212 10.0478 PRESSAVG: 4069400 29.412 -56.5991 -28.3165 -56.599 -16.1828 69.1543 -28.3164 69.1544 -7.40391 GPRESSAVG: 4069400 29.0408 -57.1134 -29.0105 -55.4258 -16.7126 70.7257 -30.7035 68.6493 -6.62931 TIMING: 4069400 CPU: 12210, 0.00306819/step Wall: 12210, 0.00306819/step, 0.793128 hours remaining, 208.585938 MB of memory in use. ENERGY: 4069400 778.6653 2099.6032 1944.4011 127.8943 -205921.1058 17586.3106 0.0000 0.0000 34337.4160 -149046.8153 299.8772 -183384.2312 -148945.2196 300.5457 -168.5096 -141.1478 557308.3122 1.9418 1.8996 PRESSURE: 4069600 37.9252 139.642 -12.7032 139.642 169.791 -22.4958 -12.7036 -22.496 -117.316 GPRESSURE: 4069600 40.5197 135.139 95.02 118.745 183.907 -13.2703 -116.276 -42.9314 -33.084 PRESSAVG: 4069600 59.4993 29.1146 -52.8426 29.1145 10.4587 6.50313 -52.8425 6.50315 -62.2643 GPRESSAVG: 4069600 59.5329 26.6902 -53.0397 29.6528 10.0409 6.733 -51.4895 4.3323 -61.6669 TIMING: 4069600 CPU: 12210.6, 0.00304311/step Wall: 12210.6, 0.00304311/step, 0.786475 hours remaining, 208.585938 MB of memory in use. ENERGY: 4069600 731.0991 2128.5640 1940.1347 114.6623 -206223.4328 17872.3757 0.0000 0.0000 34454.2692 -148982.3277 300.8977 -183436.5969 -148886.4478 299.9357 30.1333 63.7810 557599.6910 2.5646 2.6356 PRESSURE: 4069800 325.934 -103.113 -46.4359 -103.112 24.9337 171.075 -46.4349 171.075 192.484 GPRESSURE: 4069800 370.909 -45.8719 -71.5258 -92.0324 70.8208 185.269 -20.9307 106.008 196.175 PRESSAVG: 4069800 9.18273 -17.2631 -46.924 -17.2631 12.8397 53.3529 -46.9239 53.3528 -16.1776 GPRESSAVG: 4069800 8.44418 -15.2803 -46.7231 -18.839 12.531 52.0976 -47.304 55.8135 -16.0114 TIMING: 4069800 CPU: 12211.3, 0.00305353/step Wall: 12211.3, 0.00305353/step, 0.788997 hours remaining, 208.828125 MB of memory in use. ENERGY: 4069800 708.8927 2095.4037 1961.8343 109.6864 -206061.4147 17996.5176 0.0000 0.0000 34046.9717 -149142.1082 297.3407 -183189.0799 -149047.0975 299.4198 181.1170 212.6352 557670.9740 1.9483 1.6546 PRESSURE: 4070000 -102.166 -40.1928 -142.587 -40.192 57.3967 124.674 -142.588 124.674 -203.827 GPRESSURE: 4070000 -107.73 -30.3492 -142.803 -29.2408 62.8613 88.7387 -82.3133 164.006 -102.23 PRESSAVG: 4070000 -33.5841 68.4174 -46.1521 68.4173 66.0809 11.6312 -46.1521 11.6312 -4.13686 GPRESSAVG: 4070000 -33.6836 68.4044 -47.321 69.3515 65.4154 10.8068 -46.3735 12.3893 -3.78971 TIMING: 4070000 CPU: 12211.9, 0.00305182/step Wall: 12211.9, 0.00305182/step, 0.788387 hours remaining, 208.828125 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: 4070000 762.5254 2133.2520 1971.7316 110.1049 -206231.9068 17666.7291 0.0000 0.0000 34386.3556 -149201.2082 300.3046 -183587.5637 -149100.7399 299.4559 -82.8654 -49.0330 556730.7635 9.4533 9.3140 PRESSURE: 4070200 -1.32893 107.4 -8.57781 107.399 126.249 -49.0294 -8.57848 -49.03 161.975 GPRESSURE: 4070200 77.4534 59.1005 45.5299 102.609 115.674 7.5389 -122.845 -57.1506 190.494 PRESSAVG: 4070200 -6.64018 49.0636 -73.0442 49.0637 33.2703 3.48956 -73.0442 3.48965 -8.08182 GPRESSAVG: 4070200 -6.67999 49.3554 -69.4643 48.4038 34.1376 6.7481 -73.8073 2.86724 -8.711 TIMING: 4070200 CPU: 12212.5, 0.00307411/step Wall: 12212.5, 0.00307411/step, 0.793974 hours remaining, 208.828125 MB of memory in use. ENERGY: 4070200 723.6456 2130.4573 1934.9748 115.5150 -206250.8181 17873.9479 0.0000 0.0000 34402.6739 -149069.6036 300.4471 -183472.2775 -148975.6197 299.9584 95.6318 127.8738 556754.7276 6.1828 6.2489 PRESSURE: 4070400 -16.635 -21.5774 124.444 -21.576 -63.409 -159.053 124.443 -159.054 -91.6015 GPRESSURE: 4070400 -14.0111 -92.2258 58.4562 -2.48242 -33.8748 -123.506 170.089 -182.072 -31.2201 PRESSAVG: 4070400 -18.9381 -13.7658 -20.5223 -13.7658 20.5514 30.1517 -20.5222 30.1517 -3.1173 GPRESSAVG: 4070400 -18.1079 -14.5055 -21.9858 -12.7575 20.8871 29.4749 -19.8783 29.8167 -4.74066 TIMING: 4070400 CPU: 12213.1, 0.00308445/step Wall: 12213.1, 0.00308445/step, 0.796474 hours remaining, 208.828125 MB of memory in use. ENERGY: 4070400 780.3959 2107.2267 1931.7019 119.0614 -206639.6237 17895.1084 0.0000 0.0000 34469.5526 -149336.5767 301.0312 -183806.1293 -149240.7975 299.3585 -57.2151 -26.3687 556379.2577 -0.5014 -0.6538 PRESSURE: 4070600 -212.517 -46.3739 -54.7131 -46.3735 77.3642 44.7821 -54.7119 44.7824 -113.455 GPRESSURE: 4070600 -162.38 -4.77029 -45.2576 -86.248 140.227 47.6634 22.014 6.9426 -128.87 PRESSAVG: 4070600 20.1636 -15.5546 35.8933 -15.5546 71.8339 -38.1613 35.8933 -38.1613 -50.5117 GPRESSAVG: 4070600 20.7466 -14.7439 35.8905 -16.4207 71.4563 -37.0094 34.7762 -40.2183 -51.075 TIMING: 4070600 CPU: 12213.7, 0.00307595/step Wall: 12213.7, 0.00307595/step, 0.794107 hours remaining, 208.828125 MB of memory in use. ENERGY: 4070600 741.7912 2110.0343 1935.3123 110.3002 -206230.5320 17773.9535 0.0000 0.0000 34173.8434 -149385.2971 298.4487 -183559.1406 -149283.5766 299.3914 -82.8694 -50.3410 557148.0330 13.8286 13.7093 PRESSURE: 4070800 -16.6685 -100.04 -158.678 -100.04 92.614 -108.121 -158.68 -108.121 47.3715 GPRESSURE: 4070800 29.7209 -14.7681 -207.503 -168.69 63.2226 -68.1716 -176.62 -72.359 137.928 PRESSAVG: 4070800 -12.3586 -35.6258 -33.51 -35.6257 11.9741 37.7988 -33.51 37.7987 7.79807 GPRESSAVG: 4070800 -13.0446 -35.3739 -34.9406 -34.9036 10.7479 33.4153 -32.5341 40.6956 9.47211 TIMING: 4070800 CPU: 12214.3, 0.00307976/step Wall: 12214.3, 0.00307976/step, 0.79492 hours remaining, 208.828125 MB of memory in use. ENERGY: 4070800 728.1468 2073.0233 1945.1563 116.4313 -206421.1334 17779.3924 0.0000 0.0000 34126.1124 -149652.8710 298.0318 -183778.9834 -149555.2386 298.6501 41.1056 76.9572 554737.4677 2.4712 2.3918 PRESSURE: 4071000 4.1221 81.615 53.9055 81.615 62.0656 2.23351 53.9048 2.23234 -74.0867 GPRESSURE: 4071000 50.9047 -49.3081 90.1238 194.019 114.55 62.7276 20.1479 -21.7212 -72.6888 PRESSAVG: 4071000 13.0121 -2.41681 -17.4684 -2.41675 24.9815 0.123574 -17.4684 0.123628 -11.5344 GPRESSAVG: 4071000 13.4746 -4.42643 -16.5882 -2.04969 25.1794 2.81449 -16.864 -2.0526 -12.7435 TIMING: 4071000 CPU: 12214.9, 0.00307547/step Wall: 12214.9, 0.00307547/step, 0.793643 hours remaining, 208.828125 MB of memory in use. ENERGY: 4071000 751.8304 2041.6307 1919.4951 107.0038 -206466.2967 17766.5334 0.0000 0.0000 34098.0339 -149781.7693 297.7866 -183879.8032 -149687.1784 297.8815 -2.6330 30.9219 556514.1515 8.8198 8.6368 PRESSURE: 4071200 -59.9917 -57.1554 -145.344 -57.1544 -313.017 113.51 -145.343 113.511 -149.077 GPRESSURE: 4071200 -23.2864 -80.2953 -175.757 -56.1565 -247.235 126.824 -143.017 84.4873 -140.553 PRESSAVG: 4071200 54.4009 58.3242 -84.5124 58.3241 -35.6771 -19.83 -84.5125 -19.8299 -51.3864 GPRESSAVG: 4071200 55.2475 59.6975 -82.8764 59.229 -36.8164 -18.7932 -86.2785 -20.398 -50.5491 TIMING: 4071200 CPU: 12215.6, 0.00306768/step Wall: 12215.6, 0.00306768/step, 0.791461 hours remaining, 208.828125 MB of memory in use. ENERGY: 4071200 753.3832 2092.7018 1943.7478 118.8147 -206290.6367 17644.7241 0.0000 0.0000 34128.7795 -149608.4855 298.0551 -183737.2650 -149516.6275 296.8069 -174.0286 -137.0247 556658.4483 -10.8875 -10.7060 PRESSURE: 4071400 -200.601 291.027 222.22 291.029 73.0747 37.0024 222.22 37.0031 -71.6703 GPRESSURE: 4071400 -183.453 269.339 222.016 218.356 99.0164 6.7384 186.827 33.4826 -29.3942 PRESSAVG: 4071400 16.884 42.7213 0.341414 42.7214 17.4543 35.6136 0.34122 35.6136 -79.5059 GPRESSAVG: 4071400 15.4931 42.3986 -1.52456 40.4294 18.8826 37.1891 1.86487 35.4111 -79.9667 TIMING: 4071400 CPU: 12216.2, 0.00305671/step Wall: 12216.2, 0.00305671/step, 0.788461 hours remaining, 208.828125 MB of memory in use. ENERGY: 4071400 705.0396 2095.0457 1956.0379 108.5945 -206456.5917 17750.3860 0.0000 0.0000 34050.0771 -149791.4109 297.3678 -183841.4880 -149691.0606 298.0872 -66.3990 -37.9435 556479.6295 -15.0559 -15.1970 PRESSURE: 4071600 -32.6957 -33.1102 65.1638 -33.1084 -17.7641 8.09485 65.1635 8.09488 305.755 GPRESSURE: 4071600 73.6257 -33.868 79.1562 27.6687 -22.1159 -18.342 -3.34314 24.173 299.585 PRESSAVG: 4071600 49.0588 55.7759 -4.48569 55.7759 -54.7382 -17.6571 -4.48566 -17.6572 34.4709 GPRESSAVG: 4071600 49.4806 56.2833 -1.21612 57.5079 -54.319 -19.4295 -6.16523 -16.0404 33.1397 TIMING: 4071600 CPU: 12216.8, 0.0030405/step Wall: 12216.8, 0.0030405/step, 0.784112 hours remaining, 208.828125 MB of memory in use. ENERGY: 4071600 764.0959 2124.2499 1946.5700 123.1880 -206335.3547 17786.9096 0.0000 0.0000 33820.2656 -149770.0756 295.3608 -183590.3413 -149679.3545 297.4854 85.0984 117.0317 555478.0374 9.5972 9.4338 PRESSURE: 4071800 102.312 -102.632 215.746 -102.633 128.208 144.729 215.746 144.729 -109.951 GPRESSURE: 4071800 112.819 -109.555 210.928 -170.347 173.091 165.924 161.159 126.023 -65.0305 PRESSAVG: 4071800 39.6404 -18.78 -8.26225 -18.78 -11.0163 -3.05083 -8.26228 -3.05076 -42.2965 GPRESSAVG: 4071800 37.5533 -20.573 -10.1825 -19.1867 -10.8974 -1.81845 -9.13451 -3.94651 -40.1813 TIMING: 4071800 CPU: 12217.4, 0.00302651/step Wall: 12217.4, 0.00302651/step, 0.780334 hours remaining, 208.828125 MB of memory in use. ENERGY: 4071800 757.4434 2083.8105 1927.7747 122.7545 -206943.4495 17952.4682 0.0000 0.0000 34190.7413 -149908.4570 298.5962 -184099.1983 -149809.4705 297.6932 40.1893 73.6264 554692.6726 -4.5575 -4.5085 PRESSURE: 4072000 -89.5189 -207.274 91.6971 -207.276 -154.919 -54.2933 91.697 -54.2922 -140.879 GPRESSURE: 4072000 -38.1245 -201.809 117.292 -211.115 -97.7171 4.22811 10.904 -99.18 -167.026 PRESSAVG: 4072000 7.2893 -66.8753 24.1387 -66.8754 48.4663 -44.0035 24.1387 -44.0035 3.86097 GPRESSAVG: 4072000 8.16048 -65.8816 21.8945 -68.2212 49.0484 -45.7505 25.2705 -44.1202 2.41981 TIMING: 4072000 CPU: 12218, 0.00304314/step Wall: 12218, 0.00304314/step, 0.784454 hours remaining, 208.828125 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: 4072000 725.7517 2126.5212 1941.3644 126.3971 -206635.7778 17765.2772 0.0000 0.0000 33971.3326 -149979.1335 296.6801 -183950.4661 -149881.3991 296.9299 -128.4388 -100.9558 556553.9600 19.8722 19.8762 PRESSURE: 4072200 61.6229 -18.2391 -1.83801 -18.2379 58.3987 -137.569 -1.83927 -137.569 -216.732 GPRESSURE: 4072200 134.133 -73.2596 51.3804 -35.7618 130.627 -89.26 -32.2452 -135.213 -259.543 PRESSAVG: 4072200 20.6846 43.6308 19.4157 43.6309 22.7815 -13.4532 19.4158 -13.4532 -16.7958 GPRESSAVG: 4072200 21.5941 41.5345 19.358 45.7256 21.435 -13.4245 20.53 -13.1702 -16.2329 TIMING: 4072200 CPU: 12218.6, 0.00306488/step Wall: 12218.6, 0.00306488/step, 0.789888 hours remaining, 208.828125 MB of memory in use. ENERGY: 4072200 728.0170 2091.9852 1945.9901 105.0114 -206531.8270 17765.0070 0.0000 0.0000 34090.1523 -149805.6639 297.7178 -183895.8162 -149703.4877 297.2385 -32.2368 1.7390 557606.9353 8.8901 8.9321 LDB: ============= START OF LOAD BALANCING ============== 12222 LDB: ============== END OF LOAD BALANCING =============== 12222 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12222 LDB: ============= START OF LOAD BALANCING ============== 12222.3 LDB: Largest compute 4822 load 0.022738 is 19.2% of average load 0.118141 LDB: Average compute 0.001715 is 1.5% of average load 0.118141 LDB: TIME 12222.3 LOAD: AVG 0.118141 MAX 0.219608 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.746 MB LDB: TIME 12222.3 LOAD: AVG 0.118141 MAX 0.219608 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.762 MB LDB: TIME 12222.3 LOAD: AVG 0.118141 MAX 0.219608 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.762 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12222.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12222.4 PRESSURE: 4072400 -91.2181 41.1192 -86.4507 41.1176 -173.864 24.9928 -86.4504 24.9927 -216.83 GPRESSURE: 4072400 -84.1234 62.1481 -30.3603 -12.9424 -134.379 87.0274 -83.4 -32.4786 -174.75 PRESSAVG: 4072400 1.03541 16.6565 14.3455 16.6565 22.7899 35.7404 14.3454 35.7404 -23.5623 GPRESSAVG: 4072400 0.909617 17.3704 16.3481 17.2873 23.0157 33.6276 13.3425 37.1145 -23.2736 TIMING: 4072400 CPU: 12219.2, 0.00311648/step Wall: 12219.2, 0.00311648/step, 0.803014 hours remaining, 210.328125 MB of memory in use. ENERGY: 4072400 743.0361 2099.7160 1899.1630 106.3853 -206563.9263 17661.1262 0.0000 0.0000 34196.4817 -149858.0181 298.6464 -184054.4998 -149768.2736 297.8016 -160.6375 -131.0843 557634.0727 0.0877 0.2172 PRESSURE: 4072600 261.763 -11.5401 -47.8215 -11.5397 125.904 126.141 -47.8219 126.14 -54.0893 GPRESSURE: 4072600 275.874 -11.5442 -112.416 -22.6133 144.108 168.622 -10.7644 21.9632 13.3253 PRESSAVG: 4072600 30.8382 -22.695 31.5702 -22.6949 -50.6426 -54.0495 31.5701 -54.0495 2.48356 GPRESSAVG: 4072600 30.838 -20.5861 28.6425 -25.5747 -51.117 -52.3464 33.1111 -54.9399 3.56771 TIMING: 4072600 CPU: 12219.8, 0.00304822/step Wall: 12219.8, 0.00304822/step, 0.785256 hours remaining, 210.328125 MB of memory in use. ENERGY: 4072600 744.7929 2058.7712 1950.1988 108.2056 -206635.8293 18113.1871 0.0000 0.0000 33957.5255 -149703.1483 296.5595 -183660.6737 -149598.8434 297.7416 111.1924 144.4357 556939.2295 -5.7736 -5.5704 PRESSURE: 4072800 -162.364 93.6268 109.843 93.628 -16.8405 -40.8626 109.842 -40.8635 -287.519 GPRESSURE: 4072800 -73.7105 75.4651 158.962 23.5824 18.9392 22.6481 133.327 -78.5896 -299.92 PRESSAVG: 4072800 71.5848 56.433 -20.2716 56.4331 -32.3019 27.7962 -20.2716 27.7961 -26.7489 GPRESSAVG: 4072800 72.3596 56.0682 -18.5193 56.8041 -31.8807 27.7226 -21.5478 27.1259 -27.8173 TIMING: 4072800 CPU: 12220.4, 0.00304694/step Wall: 12220.4, 0.00304694/step, 0.784755 hours remaining, 210.625000 MB of memory in use. ENERGY: 4072800 754.6034 2066.8571 1921.7214 96.4504 -206410.1522 17706.2148 0.0000 0.0000 34136.5279 -149727.7772 298.1228 -183864.3051 -149628.1339 297.2147 -155.5746 -118.2305 557324.4176 4.1780 4.2205 PRESSURE: 4073000 -73.7322 11.2181 142.058 11.2176 106.749 -47.9874 142.059 -47.9858 86.9131 GPRESSURE: 4073000 -14.8495 142.709 84.9586 -26.3466 73.6291 -43.2985 175.379 -26.9234 154.849 PRESSAVG: 4073000 60.4755 35.278 31.1275 35.2781 15.2552 5.51514 31.1275 5.51511 -89.0157 GPRESSAVG: 4073000 61.3573 34.0142 29.2334 37.0518 14.9052 5.21778 32.8577 6.17319 -89.0979 TIMING: 4073000 CPU: 12221.1, 0.00305594/step Wall: 12221.1, 0.00305594/step, 0.786904 hours remaining, 210.625000 MB of memory in use. ENERGY: 4073000 749.7061 2061.9109 1934.9685 107.9222 -206580.1325 17880.7281 0.0000 0.0000 34145.4244 -149699.4724 298.2005 -183844.8968 -149607.0571 297.6997 39.9767 71.2095 556978.0600 -4.4284 -4.2785 PRESSURE: 4073200 -166.585 -12.1701 111.988 -12.1699 232.815 -30.5559 111.989 -30.5552 72.7058 GPRESSURE: 4073200 -141.722 -36.4481 110.407 10.2621 234.779 -128.941 144.948 40.5359 152.962 PRESSAVG: 4073200 6.02669 31.1313 -45.4072 31.1312 7.52007 23.0503 -45.4073 23.0503 -35.2715 GPRESSAVG: 4073200 6.64812 31.8222 -43.4147 31.8922 7.79117 23.0398 -46.2248 22.5974 -35.8759 TIMING: 4073200 CPU: 12221.7, 0.00303068/step Wall: 12221.7, 0.00303068/step, 0.780233 hours remaining, 210.625000 MB of memory in use. ENERGY: 4073200 744.2553 2081.8001 1941.0827 109.7623 -206646.0564 18026.7358 0.0000 0.0000 34229.6461 -149512.7742 298.9360 -183742.4203 -149413.2251 298.4613 46.3120 82.0066 557303.5962 -7.2416 -7.1455 PRESSURE: 4073400 -106.849 58.3152 -215.628 58.3159 -190.514 -25.3632 -215.628 -25.3622 -371.318 GPRESSURE: 4073400 -104.34 37.2765 -232.384 7.80927 -166.351 -51.6624 -224.36 -71.2868 -314.334 PRESSAVG: 4073400 10.6705 -45.7754 -31.7528 -45.7753 -1.80277 50.0846 -31.7528 50.0845 -23.9373 GPRESSAVG: 4073400 10.1015 -48.2047 -31.2257 -43.15 -1.52761 50.0348 -34.0075 51.49 -23.8072 TIMING: 4073400 CPU: 12222.3, 0.00304769/step Wall: 12222.3, 0.00304769/step, 0.784442 hours remaining, 210.625000 MB of memory in use. ENERGY: 4073400 763.4287 2131.8057 1948.8575 122.1575 -206142.8683 17557.5107 0.0000 0.0000 34109.0683 -149510.0398 297.8830 -183619.1082 -149411.6253 298.4813 -222.8939 -195.0082 558277.2209 -5.0232 -5.0778 PRESSURE: 4073600 350.596 -16.9166 -240.598 -16.9181 9.73871 -49.1956 -240.598 -49.194 172.13 GPRESSURE: 4073600 373.758 -49.0467 -210.674 -60.9903 34.6792 -54.1226 -212.726 -83.314 211.553 PRESSAVG: 4073600 66.7449 36.7354 -81.0276 36.7354 -49.1928 -27.8431 -81.0275 -27.8431 -16.3004 GPRESSAVG: 4073600 66.7009 38.4617 -81.8962 34.057 -49.6192 -27.8065 -81.2588 -29.3491 -15.371 TIMING: 4073600 CPU: 12222.9, 0.00303466/step Wall: 12222.9, 0.00303466/step, 0.78092 hours remaining, 210.656250 MB of memory in use. ENERGY: 4073600 729.0293 2114.8311 1931.9592 118.9866 -206899.9152 18113.9864 0.0000 0.0000 34502.5536 -149388.5689 301.3194 -183891.1225 -149290.6589 299.1387 177.4883 206.6632 556155.3915 0.4172 0.5702 PRESSURE: 4073800 -97.114 69.5295 18.1866 69.5285 60.4286 84.7202 18.1876 84.7217 -27.0183 GPRESSURE: 4073800 -75.4235 97.2619 74.0796 57.7457 60.3507 17.0402 -98.7723 112.903 51.1226 PRESSAVG: 4073800 24.7385 23.9914 -84.5809 23.9913 -59.2721 20.6075 -84.5808 20.6076 65.191 GPRESSAVG: 4073800 25.6783 23.9456 -84.7982 23.3568 -61.5639 20.4562 -83.042 22.5042 65.9873 TIMING: 4073800 CPU: 12223.5, 0.00307132/step Wall: 12223.5, 0.00307132/step, 0.790183 hours remaining, 210.656250 MB of memory in use. ENERGY: 4073800 696.6862 2117.0587 1925.8832 121.5725 -206161.6426 17758.0786 0.0000 0.0000 34264.8216 -149277.5417 299.2432 -183542.3633 -149175.7797 299.2102 -21.2346 12.0166 557372.9785 10.2191 10.0339 PRESSURE: 4074000 -205.767 -170.152 -115.623 -170.151 -81.7811 -23.4082 -115.622 -23.4092 65.6525 GPRESSURE: 4074000 -121.387 -95.0498 -206.833 -189.432 -73.6199 -22.8764 -122.852 -48.754 87.5082 PRESSAVG: 4074000 -16.1412 18.3138 -53.6002 18.3139 13.8855 14.6907 -53.6002 14.6906 60.2635 GPRESSAVG: 4074000 -16.4686 19.6847 -53.1978 17.9401 15.4854 12.8559 -53.6146 13.5597 59.4538 TIMING: 4074000 CPU: 12224.1, 0.00306837/step Wall: 12224.1, 0.00306837/step, 0.789252 hours remaining, 210.656250 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: 4074000 723.9802 2144.0029 1921.4010 99.9813 -205923.2516 17625.0816 0.0000 0.0000 34014.0747 -149394.7298 297.0534 -183408.8045 -149299.8616 299.1227 -73.9651 -35.8330 558542.9185 19.3359 19.4902 PRESSURE: 4074200 241.675 -47.0638 54.9778 -47.0636 -142.865 -128.18 54.9772 -128.179 -4.06845 GPRESSURE: 4074200 228.935 11.7874 36.0414 -70.7605 -57.6214 -76.7058 111.999 -181.152 17.3671 PRESSAVG: 4074200 -30.5605 17.3134 -40.1415 17.3136 12.9616 2.41667 -40.1414 2.41673 -4.46586 GPRESSAVG: 4074200 -31.2383 16.5864 -41.0378 17.2499 13.8227 3.19224 -40.2678 3.7618 -4.60014 TIMING: 4074200 CPU: 12224.7, 0.00307459/step Wall: 12224.7, 0.00307459/step, 0.790682 hours remaining, 210.656250 MB of memory in use. ENERGY: 4074200 740.1049 2093.2991 1954.1961 96.8912 -206190.4347 17801.2221 0.0000 0.0000 34265.3737 -149239.3476 299.2480 -183504.7213 -149140.8073 298.8166 31.5804 62.8934 557700.8631 -7.3549 -7.3386 PRESSURE: 4074400 -25.0757 -83.7315 105.306 -83.7315 -48.4839 -12.1063 105.307 -12.1063 -195.115 GPRESSURE: 4074400 -7.7923 31.9802 150.915 -82.37 -77.5763 -3.4519 110.948 8.47507 -83.0744 PRESSAVG: 4074400 -11.1941 -21.1638 24.8176 -21.1638 -13.6256 -58.623 24.8176 -58.623 62.1643 GPRESSAVG: 4074400 -11.5871 -20.4915 26.1691 -22.2733 -14.8721 -56.3821 23.3795 -60.6069 63.8566 TIMING: 4074400 CPU: 12225.3, 0.00306332/step Wall: 12225.3, 0.00306332/step, 0.787614 hours remaining, 210.656250 MB of memory in use. ENERGY: 4074400 791.1710 2107.7596 1930.3455 100.9389 -205929.1084 17674.9850 0.0000 0.0000 34237.5429 -149086.3655 299.0050 -183323.9084 -148986.2970 299.6249 -89.5584 -56.1477 558314.2453 12.4482 12.4658 PRESSURE: 4074600 -86.33 136.731 -26.6057 136.73 -23.3068 5.86364 -26.6071 5.86297 4.80054 GPRESSURE: 4074600 -73.8679 148.475 -53.7395 173.849 42.3081 8.52935 23.4878 -48.9024 18.1205 PRESSAVG: 4074600 -12.1193 -3.37533 90.5232 -3.37529 2.74052 20.183 90.5232 20.1829 10.8349 GPRESSAVG: 4074600 -11.5515 -4.86511 89.3617 -0.314581 3.61426 18.2931 91.0989 20.744 8.93227 TIMING: 4074600 CPU: 12226, 0.00309048/step Wall: 12226, 0.00309048/step, 0.794425 hours remaining, 210.656250 MB of memory in use. ENERGY: 4074600 747.6634 2105.1394 1933.5301 127.9885 -206083.4195 17703.0133 0.0000 0.0000 34281.9581 -149184.1267 299.3929 -183466.0847 -149093.8547 299.4054 -34.9454 -4.4798 557954.1647 0.4854 0.3317 PRESSURE: 4074800 388.974 31.6623 -125.933 31.6611 -6.22792 -3.16853 -125.934 -3.16922 122.276 GPRESSURE: 4074800 393.068 77.9805 -79.8387 30.4759 55.3171 -40.7221 -165.492 -1.33238 133.175 PRESSAVG: 4074800 47.7797 -29.107 55.0956 -29.1071 -25.5895 28.5856 55.0955 28.5857 -38.8324 GPRESSAVG: 4074800 48.4484 -28.3738 54.7429 -29.4705 -26.3273 28.7416 55.5741 28.5786 -39.024 TIMING: 4074800 CPU: 12226.6, 0.00307278/step Wall: 12226.6, 0.00307278/step, 0.789705 hours remaining, 210.656250 MB of memory in use. ENERGY: 4074800 718.7247 2104.4357 1913.2729 114.1731 -206231.5674 17985.8564 0.0000 0.0000 34244.9558 -149150.1488 299.0697 -183395.1046 -149054.1989 299.0171 168.3407 193.8535 558043.6223 -5.5474 -5.6343 PRESSURE: 4075000 -132.475 -74.5949 25.2026 -74.5941 50.7494 -88.9148 25.203 -88.9155 -61.6261 GPRESSURE: 4075000 -104.684 -126.074 58.1146 -65.3073 113.361 -91.7634 1.5451 -57.6528 -55.7895 PRESSAVG: 4075000 18.2148 29.4631 -12.4066 29.463 7.17194 -29.1944 -12.4066 -29.1945 -47.1068 GPRESSAVG: 4075000 16.4751 31.2118 -10.434 28.8039 8.07085 -29.6388 -13.362 -27.7333 -45.9891 TIMING: 4075000 CPU: 12227.2, 0.00305415/step Wall: 12227.2, 0.00305415/step, 0.784748 hours remaining, 210.656250 MB of memory in use. ENERGY: 4075000 819.1087 2082.8780 1927.3864 112.7659 -206318.7671 17774.1537 0.0000 0.0000 34422.5219 -149179.9525 300.6204 -183602.4744 -149073.5727 299.9852 -47.7838 -15.7040 556882.8023 -7.2400 -7.1477 PRESSURE: 4075200 116.005 -98.8402 -165.566 -98.8409 102.345 134.544 -165.566 134.544 26.3635 GPRESSURE: 4075200 130.307 -132.58 -190.159 -67.1666 156.38 53.2664 -122.376 151.959 54.364 PRESSAVG: 4075200 13.468 -13.964 22.0406 -13.9642 -59.2839 28.1568 22.0408 28.1567 23.1504 GPRESSAVG: 4075200 13.6743 -15.9556 21.747 -13.1722 -59.0858 28.6433 24.0546 26.0498 22.925 TIMING: 4075200 CPU: 12227.8, 0.00304809/step Wall: 12227.8, 0.00304809/step, 0.78302 hours remaining, 210.656250 MB of memory in use. ENERGY: 4075200 790.8200 2117.5113 1970.5245 111.3103 -206142.9517 17941.0492 0.0000 0.0000 34134.2119 -149077.5245 298.1026 -183211.7364 -148987.7502 300.2946 81.5710 113.6836 556171.8812 -7.5552 -7.4955 PRESSURE: 4075400 -266.99 -20.221 44.7298 -20.2205 113.364 155.114 44.7303 155.113 -136.482 GPRESSURE: 4075400 -168.916 20.7086 23.451 -33.6564 104.652 201.472 47.4636 98.7641 -125.304 PRESSAVG: 4075400 57.4136 -74.0353 40.3909 -74.0353 -6.20325 27.6545 40.3909 27.6543 11.5924 GPRESSAVG: 4075400 59.2176 -76.0704 39.02 -74.6884 -7.44921 26.5604 40.2431 28.9422 10.4556 TIMING: 4075400 CPU: 12228.4, 0.00307229/step Wall: 12228.4, 0.00307229/step, 0.789067 hours remaining, 210.656250 MB of memory in use. ENERGY: 4075400 775.8534 2139.8531 1953.9465 118.0197 -205884.5637 17597.5941 0.0000 0.0000 34320.0112 -148979.2857 299.7252 -183299.2970 -148888.6653 299.1421 -96.7027 -63.1893 557276.6448 20.9343 20.7413 PRESSURE: 4075600 -11.4236 73.6473 -41.182 73.6473 33.154 21.3352 -41.1817 21.3351 79.9162 GPRESSURE: 4075600 -30.4708 83.0302 -34.5273 84.7676 115.042 80.9415 33.3549 -150.588 100.536 PRESSAVG: 4075600 9.63171 -21.4432 9.88284 -21.4432 35.1924 46.3994 9.88275 46.3993 -45.5535 GPRESSAVG: 4075600 8.35191 -19.4224 11.3676 -21.9157 35.914 46.893 7.36981 45.9994 -45.4898 TIMING: 4075600 CPU: 12229, 0.00309947/step Wall: 12229, 0.00309947/step, 0.795876 hours remaining, 210.656250 MB of memory in use. ENERGY: 4075600 727.6296 2139.9908 1960.8632 117.4581 -205874.2702 17679.1290 0.0000 0.0000 34330.4987 -148918.7008 299.8168 -183249.1996 -148821.6667 300.1799 33.8822 61.7023 558158.7983 -0.2431 -0.4080 PRESSURE: 4075800 -303.56 71.1637 -77.2799 71.1633 41.3911 187.466 -77.2795 187.467 298.534 GPRESSURE: 4075800 -229.771 46.6362 -51.6616 74.1917 93.7852 201.7 -51.954 182.231 265.043 PRESSAVG: 4075800 15.0748 12.8359 -20.3054 12.8359 -19.715 -1.33739 -20.3054 -1.33743 42.1082 GPRESSAVG: 4075800 15.3974 12.8717 -22.4745 14.7928 -20.1187 -0.0675133 -15.8218 -0.271815 42.3805 TIMING: 4075800 CPU: 12229.6, 0.00308961/step Wall: 12229.6, 0.00308961/step, 0.793171 hours remaining, 210.656250 MB of memory in use. ENERGY: 4075800 726.2263 2059.2435 1949.9099 110.6213 -205766.7162 17585.3855 0.0000 0.0000 34351.6962 -148983.6336 300.0019 -183335.3297 -148885.3846 299.3365 12.1220 43.0191 557213.2834 12.4893 12.5530 PRESSURE: 4076000 -7.34266 -22.2027 18.9827 -22.2013 93.6216 -114.311 18.9831 -114.311 119.083 GPRESSURE: 4076000 80.7005 -88.546 43.0866 16.3535 134.199 -83.3351 -41.3363 -178.012 92.5399 PRESSAVG: 4076000 13.9997 -5.71546 30.2683 -5.71554 35.7928 33.6783 30.2684 33.6782 -21.6391 GPRESSAVG: 4076000 13.2907 -4.04257 32.209 -6.47968 36.164 35.1406 28.1465 31.8678 -21.5922 TIMING: 4076000 CPU: 12230.3, 0.00305211/step Wall: 12230.3, 0.00305211/step, 0.783375 hours remaining, 210.656250 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: 4076000 760.4187 2033.8093 1949.6465 135.8501 -206082.0609 17878.6576 0.0000 0.0000 34467.0061 -148856.6728 301.0089 -183323.6788 -148761.1125 300.2480 68.4541 102.4797 556407.4389 9.3845 9.2875 PRESSURE: 4076200 -10.0921 -38.4788 -66.8566 -38.4791 -230.37 -64.1287 -66.8547 -64.1276 57.6034 GPRESSURE: 4076200 43.4483 -81.7017 -94.173 -32.5565 -170.502 -38.1987 -83.0775 -102.026 29.6973 PRESSAVG: 4076200 -0.339833 -16.2225 39.3484 -16.2224 5.23367 30.4845 39.3485 30.4846 -36.2547 GPRESSAVG: 4076200 1.6905 -17.6994 38.2996 -17.2551 3.50937 27.6816 39.7573 31.4383 -36.7069 TIMING: 4076200 CPU: 12230.9, 0.003076/step Wall: 12230.9, 0.003076/step, 0.789335 hours remaining, 210.656250 MB of memory in use. ENERGY: 4076200 728.4435 2114.9612 1942.1616 111.7838 -205733.2415 17684.9078 0.0000 0.0000 34285.5428 -148865.4407 299.4242 -183150.9836 -148769.7306 300.1833 -60.9530 -32.4523 557168.0362 -10.4536 -10.5023 LDB: ============= START OF LOAD BALANCING ============== 12234.3 LDB: ============== END OF LOAD BALANCING =============== 12234.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12234.3 LDB: ============= START OF LOAD BALANCING ============== 12234.6 LDB: Largest compute 4820 load 0.022795 is 19.3% of average load 0.118169 LDB: Average compute 0.001727 is 1.5% of average load 0.118169 LDB: TIME 12234.6 LOAD: AVG 0.118169 MAX 0.218326 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.578 MB LDB: TIME 12234.6 LOAD: AVG 0.118169 MAX 0.218326 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.578 MB LDB: TIME 12234.6 LOAD: AVG 0.118169 MAX 0.218326 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12234.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12234.6 PRESSURE: 4076400 -94.6945 5.07334 -66.7938 5.07318 -348.714 -50.5879 -66.7936 -50.5888 -144.512 GPRESSURE: 4076400 -72.1356 -65.2618 -51.2893 56.6492 -287.189 -74.3978 -58.4911 -10.5073 -132.599 PRESSAVG: 4076400 85.2638 -4.05925 -12.046 -4.0592 -71.8014 2.8721 -12.0458 2.87217 6.59575 GPRESSAVG: 4076400 84.4195 -2.323 -10.2513 -3.6605 -71.7536 3.63659 -14.0772 2.88438 7.20567 TIMING: 4076400 CPU: 12231.5, 0.00312935/step Wall: 12231.5, 0.00312935/step, 0.802852 hours remaining, 208.535156 MB of memory in use. ENERGY: 4076400 742.0816 2049.0773 1931.6552 110.1657 -205400.5817 17398.3434 0.0000 0.0000 34260.3443 -148908.9141 299.2041 -183169.2584 -148805.8780 300.3271 -195.9735 -163.9746 557730.1851 6.6861 6.6238 PRESSURE: 4076600 -156.394 40.7879 96.5091 40.7867 -235.588 -16.788 96.508 -16.7879 -109.088 GPRESSURE: 4076600 -171.75 118.821 87.3092 7.3415 -174.198 9.81711 177.734 -54.5986 -55.9824 PRESSAVG: 4076600 41.3533 -29.5732 14.3378 -29.5731 -36.1201 -11.4888 14.3378 -11.4888 -26.5307 GPRESSAVG: 4076600 39.5947 -29.2479 12.3009 -28.913 -34.8865 -10.3895 15.3257 -11.8534 -25.4364 TIMING: 4076600 CPU: 12232.1, 0.00307389/step Wall: 12232.1, 0.00307389/step, 0.788454 hours remaining, 208.734375 MB of memory in use. ENERGY: 4076600 746.9658 2071.2430 1949.7368 111.5531 -205674.9104 17546.7717 0.0000 0.0000 34331.8472 -148916.7927 299.8286 -183248.6400 -148822.2405 299.2629 -167.0232 -133.9768 558147.0838 -7.0992 -6.9094 PRESSURE: 4076800 -198.386 70.2808 -188.139 70.2811 -180.526 15.1471 -188.14 15.1479 -194.082 GPRESSURE: 4076800 -168.672 168.933 -169.547 -7.26009 -139.26 -56.2613 -165.502 66.7526 -166.076 PRESSAVG: 4076800 14.1176 14.4361 -24.4626 14.4361 -64.6405 41.8027 -24.4626 41.8028 39.5162 GPRESSAVG: 4076800 15.1657 13.2352 -24.9531 13.0061 -64.6385 41.6446 -22.608 42.8792 38.405 TIMING: 4076800 CPU: 12232.7, 0.00307454/step Wall: 12232.7, 0.00307454/step, 0.788448 hours remaining, 208.734375 MB of memory in use. ENERGY: 4076800 760.5185 2118.9897 1945.6264 115.9899 -205576.4895 17471.6332 0.0000 0.0000 34408.2800 -148755.4518 300.4961 -183163.7318 -148658.2916 300.5977 -190.9982 -158.0024 558096.3893 -3.6689 -3.6893 PRESSURE: 4077000 -67.6019 -144.177 -71.4407 -144.177 83.5273 -34.1783 -71.4425 -34.1767 -380.407 GPRESSURE: 4077000 -66.9877 -165.558 -110.196 -117.911 144.194 -109.496 -60.0671 17.3266 -337.301 PRESSAVG: 4077000 11.0101 -0.000427726 29.8545 -0.000469679 -3.28968 -23.4297 29.8545 -23.4297 -10.4066 GPRESSAVG: 4077000 11.2195 -1.2526 31.6642 0.0401918 -3.46365 -23.7922 27.3288 -24.5576 -9.80226 TIMING: 4077000 CPU: 12233.3, 0.00305891/step Wall: 12233.3, 0.00305891/step, 0.784272 hours remaining, 208.734375 MB of memory in use. ENERGY: 4077000 732.5276 2062.0745 1964.0361 120.5535 -205701.4493 17482.6838 0.0000 0.0000 34377.9753 -148961.5984 300.2314 -183339.5737 -148865.0739 300.0688 -121.4940 -86.6984 557095.7582 -0.8954 -0.6821 PRESSURE: 4077200 184.393 -200.648 -13.9913 -200.648 26.5432 -0.250709 -13.9918 -0.2511 237.381 GPRESSURE: 4077200 210.294 -217.96 -31.7015 -211.989 48.1153 -7.77999 12.1318 -8.15774 273.614 PRESSAVG: 4077200 -1.5213 -39.7485 -53.0318 -39.7485 -18.1391 -26.9937 -53.0318 -26.9937 6.0851 GPRESSAVG: 4077200 -0.83501 -39.7515 -51.7391 -37.1781 -18.4074 -26.2066 -54.905 -25.9767 5.66736 TIMING: 4077200 CPU: 12233.9, 0.00306061/step Wall: 12233.9, 0.00306061/step, 0.784537 hours remaining, 208.734375 MB of memory in use. ENERGY: 4077200 739.1285 2151.8912 1973.6052 103.1335 -206291.0470 18024.3539 0.0000 0.0000 34403.7766 -148895.1581 300.4567 -183298.9347 -148802.5170 300.7836 149.4389 177.3412 556675.3051 -4.5251 -4.5250 PRESSURE: 4077400 102.122 115.112 -6.45385 115.111 -9.69771 -28.9554 -6.45544 -28.9553 -27.5991 GPRESSURE: 4077400 118.11 168.095 -60.0013 118.921 25.0454 18.6547 52.9941 -26.4527 4.67848 PRESSAVG: 4077400 -0.687705 -56.7608 -4.43065 -56.7609 -17.4053 -39.7581 -4.43064 -39.7579 51.0719 GPRESSAVG: 4077400 -0.238846 -55.9126 -4.62702 -60.059 -17.1752 -40.465 -1.77245 -41.4766 51.0559 TIMING: 4077400 CPU: 12234.6, 0.00307147/step Wall: 12234.6, 0.00307147/step, 0.787149 hours remaining, 208.734375 MB of memory in use. ENERGY: 4077400 705.1734 2092.0598 1924.2980 113.5108 -206139.4788 17797.0637 0.0000 0.0000 34418.0696 -149089.3034 300.5816 -183507.3730 -148991.2080 300.0815 21.6082 49.2780 558486.1337 10.9930 11.2139 PRESSURE: 4077600 185.411 -89.9547 -143.283 -89.9547 144.519 -60.4538 -143.282 -60.4541 221.178 GPRESSURE: 4077600 217.931 -79.9264 -85.1192 -50.1607 148.348 -86.3558 -209.843 -66.5739 286.534 PRESSAVG: 4077600 2.5543 40.2294 -52.1049 40.2294 -46.1781 13.4591 -52.1048 13.4592 54.6939 GPRESSAVG: 4077600 2.47879 40.5943 -53.434 43.2373 -47.5082 14.1989 -51.0174 13.6589 55.7233 TIMING: 4077600 CPU: 12235.2, 0.00307643/step Wall: 12235.2, 0.00307643/step, 0.788249 hours remaining, 208.734375 MB of memory in use. ENERGY: 4077600 747.9612 2063.6543 1928.1164 111.6703 -206209.9267 18042.2863 0.0000 0.0000 34076.2021 -149240.0360 297.5959 -183316.2381 -149149.4776 299.1444 183.7023 217.6044 557217.9904 3.6900 3.5647 PRESSURE: 4077800 -7.92155 94.8631 -30.6922 94.8613 103.113 39.4603 -30.6922 39.4598 -101.241 GPRESSURE: 4077800 -19.5036 33.6829 -116.188 185.237 159.751 -20.7564 -45.0706 35.9659 -53.8223 PRESSAVG: 4077800 7.36431 75.6042 -4.66337 75.6041 -34.3508 40.8732 -4.66325 40.8733 -3.27604 GPRESSAVG: 4077800 6.88962 75.3388 -5.76244 74.3348 -32.818 41.6268 -5.09416 41.2711 -4.40176 TIMING: 4077800 CPU: 12235.8, 0.0030771/step Wall: 12235.8, 0.0030771/step, 0.788251 hours remaining, 208.734375 MB of memory in use. ENERGY: 4077800 741.5273 2072.4709 1939.4698 117.1065 -206482.9056 18033.6492 0.0000 0.0000 34352.8928 -149225.7891 300.0124 -183578.6820 -149130.4127 299.0979 -2.0165 28.8083 558043.4186 -10.0875 -10.1100 PRESSURE: 4078000 -46.2096 -203.267 40.2324 -203.266 262.64 -144.627 40.2323 -144.627 -259.026 GPRESSURE: 4078000 24.2742 -160.038 62.4239 -220.416 167.428 -202.069 -52.376 -176.247 -135.848 PRESSAVG: 4078000 1.14138 -6.79943 -6.73492 -6.7995 52.545 -10.4826 -6.73495 -10.4824 -27.2917 GPRESSAVG: 4078000 0.780308 -7.43761 -5.41616 -6.48066 52.5149 -11.839 -7.05457 -11.0017 -26.2259 TIMING: 4078000 CPU: 12236.4, 0.00305073/step Wall: 12236.4, 0.00305073/step, 0.781327 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: 4078000 727.8383 2115.4161 1959.1163 104.8375 -206263.8994 17767.8841 0.0000 0.0000 34412.8309 -149175.9761 300.5358 -183588.8070 -149080.3319 299.9111 -14.1987 18.6179 557422.4074 8.7982 9.0231 PRESSURE: 4078200 50.3358 37.6384 55.7296 37.638 -6.5321 30.0666 55.7289 30.0676 141.88 GPRESSURE: 4078200 114.946 -25.2143 25.6806 67.5118 33.8 -45.5544 80.7364 73.8046 126.794 PRESSAVG: 4078200 -23.5437 -49.6191 -18.3661 -49.619 45.6277 4.75431 -18.366 4.75428 -44.9722 GPRESSAVG: 4078200 -21.8694 -48.2309 -16.9537 -50.1569 45.4488 3.45705 -19.0391 5.02036 -46.6481 TIMING: 4078200 CPU: 12237, 0.00304629/step Wall: 12237, 0.00304629/step, 0.78002 hours remaining, 208.734375 MB of memory in use. ENERGY: 4078200 733.4946 2018.4434 1967.7559 114.8756 -206247.8438 17898.3520 0.0000 0.0000 34266.7677 -149248.1547 299.2602 -183514.9223 -149161.7136 299.5911 61.8946 91.8467 557140.7013 -7.6294 -7.6896 PRESSURE: 4078400 -189.119 -169.297 50.7402 -169.298 -140.122 -127.766 50.7397 -127.766 -202.769 GPRESSURE: 4078400 -105.392 -157.972 57.8221 -187.019 -122.976 -0.754528 79.8891 -254.625 -218.934 PRESSAVG: 4078400 -10.2276 14.8615 22.6588 14.8615 1.44493 -1.74389 22.6587 -1.74389 -1.56762 GPRESSAVG: 4078400 -10.3906 14.9711 20.897 15.2119 0.0967021 -1.2699 22.734 -1.70558 -0.371725 TIMING: 4078400 CPU: 12237.6, 0.00305335/step Wall: 12237.6, 0.00305335/step, 0.781658 hours remaining, 208.734375 MB of memory in use. ENERGY: 4078400 741.1515 2071.9606 1938.8623 112.0486 -205723.1917 17445.0921 0.0000 0.0000 34352.3426 -149061.7340 300.0076 -183414.0766 -148964.2268 299.9715 -177.3365 -149.1005 557371.7853 -3.4501 -3.5552 PRESSURE: 4078600 16.9695 -84.8594 -169.208 -84.8615 7.93489 33.7614 -169.206 33.7614 192.996 GPRESSURE: 4078600 32.1545 -68.8974 -176.835 -48.0813 75.5196 76.8235 -113.201 -108.829 208.906 PRESSAVG: 4078600 -4.31777 -24.9237 18.9571 -24.9237 7.13714 38.0729 18.9571 38.0729 25.1008 GPRESSAVG: 4078600 -4.57387 -25.8362 19.4236 -26.7667 9.11471 38.7856 19.3984 37.2411 23.8046 TIMING: 4078600 CPU: 12238.2, 0.00305079/step Wall: 12238.2, 0.00305079/step, 0.780834 hours remaining, 208.734375 MB of memory in use. ENERGY: 4078600 756.3016 2097.9571 1928.9901 107.7369 -206243.5979 17941.5429 0.0000 0.0000 34167.8192 -149243.2502 298.3961 -183411.0694 -149145.8489 300.1296 72.6336 105.5265 555984.6329 9.3067 9.4485 PRESSURE: 4078800 30.944 -16.4543 127.308 -16.4538 -109.515 177.654 127.309 177.653 -140.885 GPRESSURE: 4078800 101.398 -12.9422 120.057 -41.6661 -104.255 191.127 148.352 50.9334 -134.449 PRESSAVG: 4078800 5.28653 -16.2812 21.471 -16.281 -7.43069 -12.7972 21.4711 -12.7973 -39.6615 GPRESSAVG: 4078800 4.90852 -15.1242 21.9061 -15.0634 -8.80268 -12.2114 21.8939 -15.0364 -37.6088 TIMING: 4078800 CPU: 12238.8, 0.00306223/step Wall: 12238.8, 0.00306223/step, 0.78359 hours remaining, 208.734375 MB of memory in use. ENERGY: 4078800 734.8046 2061.5825 1943.7291 119.8312 -206051.3557 17803.3001 0.0000 0.0000 34150.0940 -149238.0142 298.2413 -183388.1082 -149145.2899 299.1444 -73.1523 -45.7685 558126.0954 -13.9352 -13.8343 PRESSURE: 4079000 -287.165 19.9715 -180.357 19.9729 -159.569 103.996 -180.357 103.996 178.539 GPRESSURE: 4079000 -171.338 58.4095 -96.7721 -49.7282 -163.919 130.546 -265.578 160.559 162.22 PRESSAVG: 4079000 2.07233 -34.9026 41.3505 -34.9024 -34.7226 53.4162 41.3505 53.4162 22.8656 GPRESSAVG: 4079000 2.34961 -35.4317 41.9766 -34.9528 -34.835 53.0936 39.9004 56.2354 23.3794 TIMING: 4079000 CPU: 12239.5, 0.00309412/step Wall: 12239.5, 0.00309412/step, 0.791578 hours remaining, 208.734375 MB of memory in use. ENERGY: 4079000 753.0243 2119.0827 1926.1774 129.7665 -206038.5256 17769.7716 0.0000 0.0000 34144.5378 -149196.1653 298.1927 -183340.7031 -149096.3537 299.3221 -89.3986 -57.6788 558904.8164 -3.2615 -3.0353 PRESSURE: 4079200 -177.713 -19.8568 -70.3724 -19.8565 -62.5695 -122.978 -70.3731 -122.978 -103.138 GPRESSURE: 4079200 -165.888 0.266166 -88.8445 -7.56847 -32.8061 -138.201 -122.636 -163.642 -53.451 PRESSAVG: 4079200 12.1202 82.9874 10.2396 82.9874 -42.4012 9.7488 10.2396 9.74885 11.4058 GPRESSAVG: 4079200 12.2036 82.813 9.48235 82.3849 -41.2992 9.73727 10.3366 9.40496 10.8007 TIMING: 4079200 CPU: 12240.1, 0.00312427/step Wall: 12240.1, 0.00312427/step, 0.799118 hours remaining, 208.734375 MB of memory in use. ENERGY: 4079200 753.8308 2093.4373 1940.9836 106.9224 -206197.7884 17658.7395 0.0000 0.0000 34346.5590 -149297.3159 299.9570 -183643.8748 -149191.9883 299.0585 -114.4737 -84.0485 558152.6711 -6.2918 -6.0983 PRESSURE: 4079400 -81.2808 -158.967 -2.94704 -158.966 125.42 25.3442 -2.94757 25.3436 -294.272 GPRESSURE: 4079400 8.79811 -82.7109 82.1664 -135.647 103.107 23.2424 0.776466 -36.2906 -255.58 PRESSAVG: 4079400 4.37176 -1.06912 37.2786 -1.06905 65.8399 -4.10835 37.2786 -4.10825 -34.1717 GPRESSAVG: 4079400 5.42541 -0.697723 37.3041 -0.559459 65.0419 -4.26389 37.3015 -3.94288 -33.7032 TIMING: 4079400 CPU: 12240.7, 0.00309702/step Wall: 12240.7, 0.00309702/step, 0.791976 hours remaining, 208.734375 MB of memory in use. ENERGY: 4079400 745.9815 2105.8992 1937.7757 121.8707 -205964.6272 17743.6077 0.0000 0.0000 34010.4715 -149299.0209 297.0219 -183309.4923 -149205.1204 298.9328 -83.3775 -47.8915 558013.2306 12.0133 12.2547 PRESSURE: 4079600 -56.5647 23.2057 69.3404 23.2062 145.509 -50.7391 69.3391 -50.7408 -246.9 GPRESSURE: 4079600 -11.9893 67.7081 58.5048 -43.2796 125.614 -67.3607 64.7854 -77.4623 -178.344 PRESSAVG: 4079600 27.9518 15.3977 16.296 15.3977 49.4092 -3.34593 16.296 -3.3459 -42.7697 GPRESSAVG: 4079600 28.2602 14.8115 15.0159 14.799 49.7771 -2.74828 16.5574 -3.86682 -43.788 TIMING: 4079600 CPU: 12241.3, 0.00308068/step Wall: 12241.3, 0.00308067/step, 0.787626 hours remaining, 208.734375 MB of memory in use. ENERGY: 4079600 748.1472 2163.2036 1956.9542 121.1959 -206478.2760 17836.8761 0.0000 0.0000 34403.0596 -149248.8395 300.4505 -183651.8991 -149149.1857 299.3361 -52.6518 -21.5733 558212.3493 11.5304 11.4164 PRESSURE: 4079800 132.576 -36.0092 -145.193 -36.0097 -35.364 82.188 -145.193 82.1874 -3.39888 GPRESSURE: 4079800 147.099 -45.3752 -38.9713 -35.4251 -5.14211 111.366 -142.64 132.366 41.8234 PRESSAVG: 4079800 -24.0276 7.55894 -3.01561 7.55901 -8.27848 7.02414 -3.01551 7.02413 30.6422 GPRESSAVG: 4079800 -25.3698 8.24166 -2.9636 6.42834 -8.05555 7.51827 -2.43517 7.16321 31.7353 TIMING: 4079800 CPU: 12241.9, 0.00308798/step Wall: 12241.9, 0.00308798/step, 0.789323 hours remaining, 208.734375 MB of memory in use. ENERGY: 4079800 762.7637 2073.0335 1953.6898 119.4812 -206448.5061 17887.4077 0.0000 0.0000 34205.9643 -149446.1660 298.7292 -183652.1303 -149342.4957 299.0545 31.2711 61.2602 555749.6461 -0.5546 -0.5634 PRESSURE: 4080000 -27.8646 102.492 -128.944 102.494 175.606 24.2268 -128.947 24.2273 -97.6572 GPRESSURE: 4080000 -5.59032 108.504 -94.2081 132.812 242.633 16.5618 -167.551 77.8435 -83.4169 PRESSAVG: 4080000 20.559 -24.5906 -16.805 -24.5905 24.8918 57.7646 -16.8049 57.7647 24.8288 GPRESSAVG: 4080000 19.8539 -25.0531 -15.3626 -23.8816 25.6594 57.2115 -15.6841 57.3479 24.2512 TIMING: 4080000 CPU: 12242.6, 0.00309262/step Wall: 12242.6, 0.00309262/step, 0.790336 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: 4080000 748.4012 2090.7029 1955.2406 123.3810 -206336.8433 17844.2930 0.0000 0.0000 34150.1472 -149424.6773 298.2417 -183574.8245 -149324.0018 298.2021 16.6948 51.2085 556907.9721 23.4266 23.2548 PRESSURE: 4080200 281.624 71.5851 22.3067 71.5843 294.941 -80.0369 22.3075 -80.0373 -245.702 GPRESSURE: 4080200 297.175 66.1787 52.0456 74.1548 379.072 -32.2655 -29.9167 -86.5477 -253.712 PRESSAVG: 4080200 42.3226 50.0161 -49.5319 50.0161 -25.168 42.0638 -49.5319 42.0638 -26.0905 GPRESSAVG: 4080200 43.3933 48.9913 -50.2139 52.2042 -25.7943 40.0937 -50.6787 42.6561 -26.7549 TIMING: 4080200 CPU: 12243.2, 0.00308597/step Wall: 12243.2, 0.00308597/step, 0.788466 hours remaining, 208.734375 MB of memory in use. ENERGY: 4080200 715.2904 2094.7970 1944.5965 115.1502 -206298.6201 17840.4858 0.0000 0.0000 34251.4988 -149336.8014 299.1269 -183588.3002 -149241.5426 299.1833 110.2874 140.8451 556547.3575 -2.9786 -3.0520 LDB: ============= START OF LOAD BALANCING ============== 12246.6 LDB: ============== END OF LOAD BALANCING =============== 12246.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12246.6 LDB: ============= START OF LOAD BALANCING ============== 12246.9 LDB: Largest compute 4820 load 0.023185 is 19.6% of average load 0.118169 LDB: Average compute 0.001717 is 1.5% of average load 0.118169 LDB: TIME 12246.9 LOAD: AVG 0.118169 MAX 0.221927 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.051 MB LDB: TIME 12246.9 LOAD: AVG 0.118169 MAX 0.221927 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.109 MB LDB: TIME 12246.9 LOAD: AVG 0.118169 MAX 0.221927 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.109 MB LDB: ============== END OF LOAD BALANCING =============== 12246.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12246.9 PRESSURE: 4080400 -345.57 -119.31 126.853 -119.308 -70.5954 84.5223 126.853 84.5209 -140.227 GPRESSURE: 4080400 -301.725 -152.195 125.631 -64.3205 -83.5353 48.0931 132.033 101.235 -78.6924 PRESSAVG: 4080400 -36.5254 15.5789 -6.04087 15.579 -18.0477 21.0219 -6.0409 21.022 18.8797 GPRESSAVG: 4080400 -37.0383 16.7416 -7.33383 15.7414 -17.8167 22.7588 -5.69682 19.6301 19.1451 TIMING: 4080400 CPU: 12243.8, 0.00311765/step Wall: 12243.8, 0.00311765/step, 0.796386 hours remaining, 208.843750 MB of memory in use. ENERGY: 4080400 756.0153 2100.5038 1959.8635 121.0978 -206330.9788 17545.3764 0.0000 0.0000 34307.2605 -149540.8616 299.6138 -183848.1221 -149449.5903 299.0145 -185.4640 -154.6510 557309.8352 -11.8978 -11.9033 PRESSURE: 4080600 107.401 41.2985 58.8053 41.2984 -11.8294 16.032 58.8052 16.0325 21.0628 GPRESSURE: 4080600 136.976 17.2895 77.8831 49.9206 56.3531 52.6573 114.748 77.7275 8.70486 PRESSAVG: 4080600 48.2679 74.3923 21.5834 74.3922 52.1175 -23.1461 21.5833 -23.1463 -42.7142 GPRESSAVG: 4080600 48.919 73.8683 21.1456 75.3811 51.9434 -24.0784 21.3355 -23.8894 -43.1698 TIMING: 4080600 CPU: 12244.4, 0.00307897/step Wall: 12244.4, 0.00307897/step, 0.786335 hours remaining, 208.843750 MB of memory in use. ENERGY: 4080600 720.9101 2097.5280 1947.6606 114.9097 -206442.8888 17876.6695 0.0000 0.0000 34183.7467 -149501.4643 298.5352 -183685.2110 -149405.3687 298.7198 38.8782 67.3446 557021.1487 19.2237 19.2309 PRESSURE: 4080800 -137.47 66.4463 19.2546 66.447 -461.046 -22.4966 19.254 -22.4971 -38.969 GPRESSURE: 4080800 -117.042 45.9071 -50.8263 120.36 -372.378 -46.7269 -27.7 -8.70227 -45.3774 PRESSAVG: 4080800 15.5442 86.0867 40.8552 86.0867 -64.6787 30.3599 40.8551 30.3599 34.8482 GPRESSAVG: 4080800 15.1724 87.9391 41.1497 83.8878 -65.1331 31.1698 42.3879 30.4587 35.3487 TIMING: 4080800 CPU: 12245, 0.00307099/step Wall: 12245, 0.00307099/step, 0.784127 hours remaining, 208.843750 MB of memory in use. ENERGY: 4080800 778.4801 2110.6220 1951.9815 126.4573 -206462.5469 17684.1563 0.0000 0.0000 34421.7085 -149389.1412 300.6133 -183810.8497 -149286.6109 298.9177 -212.4951 -178.2658 557643.2807 -4.7621 -4.8707 PRESSURE: 4081000 83.0195 170.32 -60.0369 170.32 73.8949 -73.2811 -60.0365 -73.28 407.306 GPRESSURE: 4081000 85.2518 177.989 -2.22151 190.424 81.6386 -79.1206 -76.2694 -118.791 484.439 PRESSAVG: 4081000 -24.4789 -17.4166 -10.0186 -17.4166 -3.47017 27.1231 -10.0186 27.1232 53.0886 GPRESSAVG: 4081000 -22.7639 -17.6983 -8.80187 -17.2475 -4.80695 26.7663 -12.7278 28.4065 52.7377 TIMING: 4081000 CPU: 12245.6, 0.00306328/step Wall: 12245.6, 0.00306328/step, 0.781987 hours remaining, 208.843750 MB of memory in use. ENERGY: 4081000 754.4521 2071.8067 1967.9018 118.4239 -206788.1008 18028.7512 0.0000 0.0000 34477.3199 -149369.4451 301.0990 -183846.7650 -149272.4104 299.1187 188.0736 217.1099 555580.9694 8.3798 8.3889 PRESSURE: 4081200 264.835 -62.7757 17.9176 -62.7753 -162.173 -30.1459 17.9174 -30.1455 24.621 GPRESSURE: 4081200 284.134 -74.938 6.75855 -80.0112 -140.784 49.5293 31.1043 20.1229 80.1161 PRESSAVG: 4081200 34.2845 -34.9106 -38.4395 -34.9106 -60.9873 11.5382 -38.4396 11.5381 -7.96952 GPRESSAVG: 4081200 33.0578 -34.4271 -39.1117 -35.4018 -59.809 11.3751 -36.4279 12.6907 -8.35174 TIMING: 4081200 CPU: 12246.3, 0.00304703/step Wall: 12246.3, 0.00304703/step, 0.777669 hours remaining, 208.843750 MB of memory in use. ENERGY: 4081200 782.4864 2122.7097 1971.5433 115.4018 -206296.8295 17956.1188 0.0000 0.0000 34061.1583 -149287.4112 297.4646 -183348.5696 -149188.3470 299.2329 42.4277 74.4887 556523.0042 -11.5575 -11.7010 PRESSURE: 4081400 -186.4 83.2258 -73.5966 83.2259 -74.9533 36.2093 -73.5964 36.208 -145.894 GPRESSURE: 4081400 -135.901 135.999 -175.527 56.6344 -14.1036 37.3424 -52.2735 74.2594 -143.839 PRESSAVG: 4081400 60.2547 -2.88674 38.7712 -2.88663 14.7492 39.4703 38.7712 39.4702 -87.5034 GPRESSAVG: 4081400 60.0776 -4.12764 37.6944 -2.66411 13.6403 38.6953 38.9671 38.7228 -86.3489 TIMING: 4081400 CPU: 12246.9, 0.00302365/step Wall: 12246.9, 0.00302365/step, 0.771534 hours remaining, 208.843750 MB of memory in use. ENERGY: 4081400 773.2911 2083.1962 1962.1386 106.1957 -206054.9489 17618.1006 0.0000 0.0000 34190.8237 -149321.2029 298.5970 -183512.0267 -149228.8206 298.4316 -135.7489 -97.9477 556800.8812 -4.1665 -4.2103 PRESSURE: 4081600 -48.1559 -85.2421 -66.5366 -85.244 141.266 33.267 -66.5368 33.2661 -39.9288 GPRESSURE: 4081600 -50.211 -99.1954 -54.4667 -167.552 157.331 41.3855 -53.3312 -36.1452 51.9871 PRESSAVG: 4081600 49.9451 -31.1809 4.52724 -31.1809 -43.8093 6.69486 4.52719 6.69473 -12.8354 GPRESSAVG: 4081600 50.001 -30.1961 6.29089 -30.7281 -44.3458 9.33214 4.68935 6.12559 -12.4047 TIMING: 4081600 CPU: 12247.5, 0.00302936/step Wall: 12247.5, 0.00302936/step, 0.772823 hours remaining, 208.843750 MB of memory in use. ENERGY: 4081600 772.9443 2091.6432 1923.4039 112.0006 -206653.9821 17945.4929 0.0000 0.0000 34448.9402 -149359.5571 300.8512 -183808.4973 -149265.7076 298.8892 17.7272 53.0357 557708.4975 -2.2332 -2.2498 PRESSURE: 4081800 -381.094 -141.666 -0.107655 -141.665 120.443 23.2898 -0.108193 23.2903 -225.136 GPRESSURE: 4081800 -325.017 -216.773 -63.5573 -50.8046 151.624 74.2821 -3.35622 -2.85482 -205.279 PRESSAVG: 4081800 -29.8893 -59.9188 12.5269 -59.9188 46.8234 -6.47116 12.527 -6.47115 -61.3773 GPRESSAVG: 4081800 -31.0475 -60.2004 12.5633 -57.852 48.7962 -8.87683 12.198 -5.5576 -62.2679 TIMING: 4081800 CPU: 12248.1, 0.00306391/step Wall: 12248.1, 0.00306391/step, 0.781468 hours remaining, 208.843750 MB of memory in use. ENERGY: 4081800 754.5661 2090.8551 1928.7676 103.0382 -206042.5972 17662.4472 0.0000 0.0000 34168.1292 -149334.7939 298.3988 -183502.9230 -149237.8239 298.6804 -161.9288 -126.2239 559168.9873 -14.8144 -14.8398 PRESSURE: 4082000 126.019 43.0813 -71.9046 43.0817 13.3356 76.5152 -71.9039 76.5163 -30.6849 GPRESSURE: 4082000 180.231 99.8288 -1.03938 3.40615 32.7123 19.3038 -151.827 101.232 -12.7203 PRESSAVG: 4082000 -32.4966 -29.1177 15.0512 -29.1177 -14.5626 5.64214 15.0513 5.64213 2.80783 GPRESSAVG: 4082000 -32.7009 -29.9298 13.8089 -30.5347 -15.6595 7.46929 17.4461 4.06326 3.79846 TIMING: 4082000 CPU: 12248.7, 0.0030718/step Wall: 12248.7, 0.0030718/step, 0.783309 hours remaining, 208.843750 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: 4082000 718.3160 2076.3732 1968.9219 113.8645 -206277.0234 17917.8070 0.0000 0.0000 34216.6151 -149265.1257 298.8222 -183481.7408 -149168.9408 298.4822 36.2231 66.7409 557834.2242 -14.7505 -14.8540 PRESSURE: 4082200 -59.5017 36.5282 85.919 36.5272 -49.457 99.1836 85.9198 99.1825 -230.148 GPRESSURE: 4082200 -36.7729 117.045 81.7574 -44.0732 -81.1538 56.7154 58.5713 170.743 -134.982 PRESSAVG: 4082200 -41.8153 -33.7973 -29.7576 -33.7974 38.2685 9.0212 -29.7576 9.02114 43.0675 GPRESSAVG: 4082200 -40.4048 -33.1232 -27.0461 -35.3376 38.2792 7.06793 -33.5017 9.06323 41.6793 TIMING: 4082200 CPU: 12249.3, 0.00305406/step Wall: 12249.3, 0.00305406/step, 0.778616 hours remaining, 208.843750 MB of memory in use. ENERGY: 4082200 722.0590 2135.2602 1917.8163 124.6092 -206240.1974 17801.9090 0.0000 0.0000 34160.0323 -149378.5115 298.3281 -183538.5438 -149286.4337 298.6297 -113.0356 -84.3029 559189.3175 13.1736 13.1846 PRESSURE: 4082400 -283.755 68.5272 -5.37881 68.5268 245.186 -69.8218 -5.37766 -69.8214 -57.8604 GPRESSURE: 4082400 -230.803 108.967 -19.3528 26.3024 229.866 -119.508 -19.1946 -54.3334 -8.16521 PRESSAVG: 4082400 -30.9399 7.30285 57.2086 7.30281 67.8152 -10.2967 57.2087 -10.2967 -33.6346 GPRESSAVG: 4082400 -30.8814 6.1921 56.5437 7.04986 66.5434 -8.06284 60.2697 -9.61231 -33.0135 TIMING: 4082400 CPU: 12249.9, 0.00300184/step Wall: 12249.9, 0.00300184/step, 0.765135 hours remaining, 208.843750 MB of memory in use. ENERGY: 4082400 727.9191 2114.9969 1938.6220 118.2945 -206678.9635 17914.7403 0.0000 0.0000 34361.4448 -149502.9460 300.0870 -183864.3908 -149412.2442 299.1210 -32.1433 -3.0340 557328.7802 1.0802 0.8828 PRESSURE: 4082600 132.47 -185.409 85.7163 -185.409 14.7266 -116.606 85.716 -116.608 -262.192 GPRESSURE: 4082600 72.7816 -226.291 87.0747 -244.167 132.957 -125.302 124.584 -66.6345 -224.672 PRESSAVG: 4082600 40.8573 -7.3372 14.5576 -7.33728 58.3191 24.3621 14.5575 24.3622 -57.42 GPRESSAVG: 4082600 39.4796 -6.50749 12.9822 -7.17669 59.577 24.8231 13.9961 21.9789 -56.9964 TIMING: 4082600 CPU: 12250.5, 0.0030144/step Wall: 12250.5, 0.0030144/step, 0.768169 hours remaining, 208.843750 MB of memory in use. ENERGY: 4082600 730.3621 2118.9910 1951.6389 111.6354 -206260.1799 17775.7612 0.0000 0.0000 34182.6076 -149389.1837 298.5252 -183571.7913 -149294.3668 298.2764 -38.3319 -6.3109 556006.2486 13.9188 14.0201 PRESSURE: 4082800 32.9871 -15.7199 -102.894 -15.7223 27.9486 -52.9149 -102.893 -52.9141 43.454 GPRESSURE: 4082800 116.944 23.7593 -102.739 -41.7359 88.5005 63.944 -126.103 -76.9239 -5.5249 PRESSAVG: 4082800 -26.3741 -2.02153 -21.7596 -2.02155 -73.4638 -1.34697 -21.7595 -1.34695 40.2562 GPRESSAVG: 4082800 -25.9097 -3.9515 -19.4999 -0.49845 -73.1652 -2.82398 -22.8894 0.978232 39.6601 TIMING: 4082800 CPU: 12251.1, 0.00304231/step Wall: 12251.1, 0.00304231/step, 0.775112 hours remaining, 208.843750 MB of memory in use. ENERGY: 4082800 758.2366 2113.2587 1965.4475 116.1697 -206380.0876 17832.2638 0.0000 0.0000 34207.9974 -149386.7140 298.7469 -183594.7113 -149290.7484 298.1750 34.7966 66.6400 556349.4554 -19.8606 -19.8050 PRESSURE: 4083000 -223.927 -34.9113 16.6569 -34.9106 -297.828 10.3304 16.6575 10.3294 -81.8282 GPRESSURE: 4083000 -166.959 10.2652 139.994 -47.1935 -263.094 29.2504 -10.9769 24.8647 -88.562 PRESSAVG: 4083000 -66.3172 20.9716 12.7848 20.9716 -24.7431 38.231 12.7848 38.2309 86.7789 GPRESSAVG: 4083000 -64.316 22.0057 11.0619 20.9189 -25.5711 39.7591 13.5665 37.864 85.7717 TIMING: 4083000 CPU: 12251.7, 0.0030446/step Wall: 12251.7, 0.0030446/step, 0.775527 hours remaining, 208.843750 MB of memory in use. ENERGY: 4083000 738.3069 2111.6367 1928.2426 112.9519 -205967.9658 17482.4508 0.0000 0.0000 34178.5485 -149415.8282 298.4898 -183594.3768 -149315.9713 298.7173 -201.1945 -172.8718 557335.3178 -1.4271 -1.3718 PRESSURE: 4083200 140.084 -11.9008 -48.2612 -11.9015 -190.391 -54.8785 -48.2632 -54.8775 -85.2374 GPRESSURE: 4083200 168.228 66.4416 -50.5899 -24.5194 -176.892 -32.2055 -10.2012 -118.348 -26.6064 PRESSAVG: 4083200 -4.62632 21.3544 1.63213 21.3545 26.7381 -7.95532 1.63204 -7.95538 10.1702 GPRESSAVG: 4083200 -6.15041 20.6516 0.196752 22.1642 27.1513 -9.76179 1.90309 -8.90738 11.4721 TIMING: 4083200 CPU: 12252.3, 0.0030617/step Wall: 12252.3, 0.0030617/step, 0.779713 hours remaining, 208.843750 MB of memory in use. ENERGY: 4083200 751.0669 2048.2613 1941.9921 101.9620 -206398.1418 17827.8307 0.0000 0.0000 34425.6259 -149301.4029 300.6476 -183727.0288 -149198.3670 298.9867 -45.1816 -11.7568 556324.3309 10.7607 10.8243 PRESSURE: 4083400 63.5497 123.881 -91.7014 123.88 -36.01 2.04977 -91.702 2.0487 -34.6843 GPRESSURE: 4083400 103.622 82.722 -67.0829 130.402 -6.04427 -29.3515 -121.255 -15.4824 -2.86992 PRESSAVG: 4083400 9.30817 -5.03492 -15.1408 -5.0349 -50.2589 45.3473 -15.1408 45.3473 48.3242 GPRESSAVG: 4083400 9.913 -2.99045 -12.2437 -5.57481 -50.3898 44.9082 -16.4279 45.5446 48.1021 TIMING: 4083400 CPU: 12252.9, 0.00307341/step Wall: 12252.9, 0.00307341/step, 0.782526 hours remaining, 208.843750 MB of memory in use. ENERGY: 4083400 784.7191 2066.9026 1934.2502 111.4620 -206213.6495 17828.5623 0.0000 0.0000 34335.5544 -149152.1987 299.8609 -183487.7531 -149056.2903 299.6867 -2.3815 31.5694 557284.7430 2.4578 2.5418 PRESSURE: 4083600 0.854661 83.4454 146.286 83.4463 58.3731 41.3466 146.284 41.3452 -101.397 GPRESSURE: 4083600 9.72544 79.1651 243.128 48.4388 18.7619 -74.8727 77.3684 38.5216 27.9714 PRESSAVG: 4083600 -30.5017 -22.7058 18.2955 -22.7058 13.3055 35.7272 18.2954 35.7272 -5.92521 GPRESSAVG: 4083600 -31.0079 -24.5286 17.9634 -20.7662 13.0226 34.7352 16.5891 38.4029 -4.60234 TIMING: 4083600 CPU: 12253.6, 0.00311705/step Wall: 12253.6, 0.00311705/step, 0.793464 hours remaining, 208.843750 MB of memory in use. ENERGY: 4083600 754.1261 2109.1483 1950.8992 93.7257 -205898.7859 17687.8366 0.0000 0.0000 34275.9836 -149027.0664 299.3407 -183303.0500 -148930.9620 299.3444 -14.0565 18.8196 557964.2697 -7.7071 -7.5292 PRESSURE: 4083800 -102.91 103.575 -118.291 103.576 46.3999 -16.4659 -118.292 -16.4638 152.377 GPRESSURE: 4083800 -69.5554 132.32 -111.177 36.7112 45.474 -23.9258 -139.47 -61.1992 237.998 PRESSAVG: 4083800 56.431 -5.87333 4.94804 -5.87333 -4.80614 53.672 4.94805 53.6719 -13.0676 GPRESSAVG: 4083800 55.8067 -4.57566 4.08146 -9.62759 -4.70201 55.4849 7.61064 52.7969 -12.7246 TIMING: 4083800 CPU: 12254.2, 0.00309958/step Wall: 12254.2, 0.00309958/step, 0.788844 hours remaining, 208.843750 MB of memory in use. ENERGY: 4083800 739.9210 2079.0895 1952.7519 109.5041 -206248.0835 17891.5758 0.0000 0.0000 34516.0769 -148959.1643 301.4375 -183475.2412 -148863.7292 300.1456 31.9556 71.3054 558902.6051 12.8524 12.7934 PRESSURE: 4084000 183.91 106.046 -86.5414 106.047 -166.169 45.7532 -86.5415 45.7523 191.598 GPRESSURE: 4084000 191.833 15.207 -136.062 142.397 -108.327 -32.7573 -71.721 64.5102 212.867 PRESSAVG: 4084000 116.128 47.3439 29.6015 47.3439 -82.6337 17.8945 29.6014 17.8944 -34.0839 GPRESSAVG: 4084000 116.679 45.1348 29.8437 49.7944 -82.1929 19.1093 28.392 17.3986 -35.2382 TIMING: 4084000 CPU: 12254.8, 0.00309546/step Wall: 12254.8, 0.00309546/step, 0.787622 hours remaining, 208.843750 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: 4084000 766.1538 2078.9022 1944.1488 129.0342 -205991.8925 18011.1097 0.0000 0.0000 34129.2343 -148933.3095 298.0591 -183062.5438 -148843.1490 299.4733 69.7798 98.7907 558119.9685 -0.1964 -0.2508 PRESSURE: 4084200 154.487 52.7163 -92.9097 52.716 118.902 22.3528 -92.9118 22.352 -138.752 GPRESSURE: 4084200 164.392 93.552 -53.1007 16.7962 139.496 141.832 -51.7375 41.632 -83.3037 PRESSAVG: 4084200 7.16136 19.1831 -7.70107 19.1831 -8.0178 -10.8249 -7.70108 -10.8249 35.5093 GPRESSAVG: 4084200 6.83608 21.8951 -8.27874 18.0491 -8.31951 -13.5661 -7.24675 -7.88113 35.1647 TIMING: 4084200 CPU: 12255.4, 0.00305136/step Wall: 12255.4, 0.00305136/step, 0.776233 hours remaining, 208.843750 MB of memory in use. ENERGY: 4084200 757.8039 2057.3837 1955.1969 107.6848 -206117.9329 17823.0340 0.0000 0.0000 34392.0894 -149024.7403 300.3547 -183416.8297 -148923.9417 300.6733 44.8789 73.5280 557192.9802 11.5510 11.2271 LDB: ============= START OF LOAD BALANCING ============== 12258.9 LDB: ============== END OF LOAD BALANCING =============== 12258.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12258.9 LDB: ============= START OF LOAD BALANCING ============== 12259.2 LDB: Largest compute 4822 load 0.024151 is 20.4% of average load 0.118114 LDB: Average compute 0.001735 is 1.5% of average load 0.118114 LDB: TIME 12259.2 LOAD: AVG 0.118114 MAX 0.220008 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.816 MB LDB: TIME 12259.2 LOAD: AVG 0.118114 MAX 0.220008 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.816 MB LDB: TIME 12259.2 LOAD: AVG 0.118114 MAX 0.220008 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.816 MB LDB: ============== END OF LOAD BALANCING =============== 12259.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12259.2 PRESSURE: 4084400 -136.291 122.725 47.2934 122.725 -158.454 14.5139 47.2929 14.5152 14.0979 GPRESSURE: 4084400 -157.437 186.152 74.2817 82.4357 -72.7752 42.9886 30.2509 27.3753 59.9539 PRESSAVG: 4084400 -40.5186 5.96555 -9.75837 5.96549 5.62203 -1.3781 -9.75832 -1.378 28.4618 GPRESSAVG: 4084400 -40.4103 6.01228 -9.34897 5.97926 6.03912 -0.150672 -9.04185 -2.85655 27.8588 TIMING: 4084400 CPU: 12256, 0.00311264/step Wall: 12256, 0.00311264/step, 0.791648 hours remaining, 207.496094 MB of memory in use. ENERGY: 4084400 753.0134 2055.4320 1954.1446 109.4103 -206052.7442 17746.0253 0.0000 0.0000 34347.5221 -149087.1963 299.9655 -183434.7185 -148984.6058 299.8616 -93.5492 -56.7529 559823.5039 -2.1449 -2.1708 PRESSURE: 4084600 -107.926 111.787 -118.592 111.787 89.0127 -16.777 -118.592 -16.7759 -464.758 GPRESSURE: 4084600 -54.9046 120.923 -62.9482 -17.4198 59.996 -56.6679 -202.089 33.5117 -379.019 PRESSAVG: 4084600 -7.08515 11.3952 -21.2725 11.3952 12.1015 -15.1409 -21.2724 -15.141 -22.128 GPRESSAVG: 4084600 -7.54047 9.61585 -21.7759 12.8338 11.919 -14.8626 -21.1076 -14.5808 -20.7663 TIMING: 4084600 CPU: 12256.7, 0.00309423/step Wall: 12256.7, 0.00309423/step, 0.786794 hours remaining, 207.496094 MB of memory in use. ENERGY: 4084600 746.0466 2106.4809 1915.9957 106.3864 -205709.5914 17567.8969 0.0000 0.0000 34415.4693 -148851.3157 300.5589 -183266.7850 -148755.1695 299.6627 -161.2237 -124.6424 559648.3838 -5.7039 -5.4626 PRESSURE: 4084800 196.83 -3.06365 122.795 -3.06196 70.4201 149.696 122.795 149.695 143.71 GPRESSURE: 4084800 212.717 10.1285 112.517 109.346 78.5843 225.362 90.5573 107.362 209.77 PRESSAVG: 4084800 22.8986 -6.01509 -16.6987 -6.01503 -50.9839 -0.772139 -16.6988 -0.772176 12.9172 GPRESSAVG: 4084800 22.2188 -2.65685 -17.1089 -7.32557 -49.8646 -1.1726 -18.9935 -1.05263 11.9697 TIMING: 4084800 CPU: 12257.3, 0.00308976/step Wall: 12257.3, 0.00308976/step, 0.785486 hours remaining, 207.496094 MB of memory in use. ENERGY: 4084800 745.9516 2124.7382 1925.6117 109.9002 -206180.7735 17987.1945 0.0000 0.0000 34316.3026 -148971.0747 299.6928 -183287.3773 -148875.6707 299.7143 136.9866 167.0238 557399.8250 -5.0560 -5.2253 PRESSURE: 4085000 156.232 75.1808 57.5667 75.1801 -88.8207 -154.817 57.566 -154.819 29.8735 GPRESSURE: 4085000 165.114 41.8019 131.09 44.8278 7.30878 -248.348 -38.4883 -100.569 32.0176 PRESSAVG: 4085000 57.0551 -17.8401 -8.30898 -17.84 -26.3638 1.48046 -8.30898 1.48035 -12.1836 GPRESSAVG: 4085000 58.0731 -19.1865 -8.93775 -18.4073 -27.8129 2.53723 -7.52396 0.502503 -11.7303 TIMING: 4085000 CPU: 12257.9, 0.00308091/step Wall: 12257.9, 0.00308091/step, 0.783064 hours remaining, 207.496094 MB of memory in use. ENERGY: 4085000 735.6055 2097.4815 1955.5442 111.6753 -205950.9716 17533.7053 0.0000 0.0000 34531.8157 -148985.1440 301.5749 -183516.9597 -148891.6721 300.2320 32.4283 68.1469 555326.1577 6.1692 6.1766 PRESSURE: 4085200 130.287 -92.5264 55.4461 -92.5284 -275.023 -76.7496 55.4453 -76.7504 86.323 GPRESSURE: 4085200 173.421 -98.9221 36.7737 -36.1496 -244.843 -131.465 41.1435 -168.803 108.187 PRESSAVG: 4085200 53.5636 9.08766 29.951 9.08771 -6.14085 -29.5518 29.9509 -29.5518 -60.9477 GPRESSAVG: 4085200 54.1629 6.95159 28.9225 9.9108 -6.45678 -30.3196 30.8303 -28.8154 -61.6474 TIMING: 4085200 CPU: 12258.5, 0.00308037/step Wall: 12258.5, 0.00308037/step, 0.782755 hours remaining, 207.496094 MB of memory in use. ENERGY: 4085200 767.5988 2029.7339 1945.5474 113.5188 -206051.3422 17903.5255 0.0000 0.0000 34433.9697 -148857.4479 300.7204 -183291.4176 -148756.3573 300.1078 -19.4709 12.2549 557562.2438 -4.5083 -4.6471 PRESSURE: 4085400 -344.342 31.1217 -47.0476 31.1206 -107.458 -118.009 -47.048 -118.007 70.1173 GPRESSURE: 4085400 -297.668 59.0282 -21.5501 -35.8347 -109.366 -56.1691 -60.9793 -129.582 127.841 PRESSAVG: 4085400 -51.5568 -43.0391 42.7168 -43.0391 -18.3136 5.43798 42.7167 5.43805 46.9358 GPRESSAVG: 4085400 -52.6777 -43.579 45.2686 -40.0846 -17.5449 6.11745 41.3464 5.49079 47.7329 TIMING: 4085400 CPU: 12259.1, 0.00307592/step Wall: 12259.1, 0.00307592/step, 0.781454 hours remaining, 207.496094 MB of memory in use. ENERGY: 4085400 745.0247 2069.9805 1964.1658 111.3040 -205557.3686 17490.7111 0.0000 0.0000 34400.4787 -148775.7038 300.4279 -183176.1826 -148677.0944 300.8127 -127.2276 -93.0643 557292.1981 -7.6448 -7.4966 PRESSURE: 4085600 -61.7618 210.175 -134.136 210.176 -139.967 -156.228 -134.137 -156.229 -201.125 GPRESSURE: 4085600 -36.5886 223.557 -78.9222 247.13 -148.811 -169.032 -52.7766 -179.713 -108.303 PRESSAVG: 4085600 -3.57527 5.59713 -12.6194 5.59714 -27.9006 -76.1661 -12.6193 -76.1661 -5.70672 GPRESSAVG: 4085600 -2.1456 7.73563 -14.7034 2.8685 -29.6779 -76.4443 -11.6945 -76.0764 -4.63829 TIMING: 4085600 CPU: 12259.7, 0.00309776/step Wall: 12259.7, 0.00309776/step, 0.786832 hours remaining, 207.617188 MB of memory in use. ENERGY: 4085600 748.2311 2115.9825 1932.7422 105.0224 -205739.4319 17533.1478 0.0000 0.0000 34503.7535 -148800.5524 301.3299 -183304.3059 -148705.7634 300.1393 -134.2844 -97.9010 558592.2080 -12.3942 -12.1539 PRESSURE: 4085800 186.108 32.444 -0.803181 32.443 -29.3045 -15.1049 -0.804134 -15.1052 20.6735 GPRESSURE: 4085800 180.193 -16.716 -6.26333 39.9156 -7.50483 69.4661 -74.4626 -42.3357 106.113 PRESSAVG: 4085800 -32.8383 21.3794 -39.0252 21.3794 9.11846 -2.17781 -39.0251 -2.17778 -1.89397 GPRESSAVG: 4085800 -32.2442 22.5285 -37.8959 21.3918 9.18078 -3.28651 -38.3224 -2.44741 -3.11223 TIMING: 4085800 CPU: 12260.4, 0.00310556/step Wall: 12260.4, 0.00310556/step, 0.78864 hours remaining, 207.617188 MB of memory in use. ENERGY: 4085800 758.5914 2088.0110 1951.2670 106.3333 -205848.1626 17821.2307 0.0000 0.0000 34222.2272 -148900.5021 298.8712 -183122.7293 -148806.0233 300.3693 59.1591 92.9337 556061.5379 -8.5379 -8.7252 PRESSURE: 4086000 264.929 -65.1995 -157.988 -65.1989 -68.2175 -71.8726 -157.987 -71.8705 -43.2992 GPRESSURE: 4086000 280.589 -52.2597 -178.261 -19.9538 2.18087 -25.6758 -197.253 -91.8965 -22.9551 PRESSAVG: 4086000 45.8251 -10.3374 13.5325 -10.3373 9.83864 -34.7275 13.5325 -34.7275 -45.2105 GPRESSAVG: 4086000 44.7121 -9.46292 14.3203 -9.34166 10.4568 -33.4236 13.0425 -35.6253 -44.5695 TIMING: 4086000 CPU: 12261, 0.00306739/step Wall: 12261, 0.00306739/step, 0.778776 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: 4086000 786.6973 2112.1594 1942.7312 108.7385 -206337.8711 17922.3056 0.0000 0.0000 34617.9145 -148847.3247 302.3269 -183465.2391 -148755.6658 300.7969 51.1375 86.6051 557159.0686 3.4844 3.5331 PRESSURE: 4086200 -90.1397 -18.6369 29.6591 -18.6365 5.14409 143.318 29.6616 143.318 -32.9834 GPRESSURE: 4086200 -26.4816 67.4303 86.8416 -43.2714 10.7888 133.816 40.057 101.952 -4.68546 PRESSAVG: 4086200 69.1853 21.305 -36.6087 21.305 -69.8419 -12.3107 -36.6087 -12.3107 -33.2555 GPRESSAVG: 4086200 69.2384 19.042 -37.5636 19.8333 -69.8674 -11.9457 -36.8569 -13.8229 -33.3696 TIMING: 4086200 CPU: 12261.6, 0.00307055/step Wall: 12261.6, 0.00307055/step, 0.779407 hours remaining, 207.617188 MB of memory in use. ENERGY: 4086200 761.0910 2097.3809 1936.0431 113.2756 -206071.7926 17688.1822 0.0000 0.0000 34289.5157 -149186.3041 299.4589 -183475.8198 -149092.4812 299.8385 -39.3263 -6.7928 556609.0066 -11.3040 -11.3329 PRESSURE: 4086400 139.925 -33.1098 -41.1876 -33.1107 66.5883 57.4416 -41.1883 57.44 115.925 GPRESSURE: 4086400 188.949 -81.4377 10.7056 -16.7128 119.76 94.7992 -105.017 20.0309 113.65 PRESSAVG: 4086400 13.1812 -24.4085 -41.4667 -24.4086 -62.568 31.3021 -41.4667 31.3021 -0.592421 GPRESSAVG: 4086400 14.0355 -26.985 -41.8524 -23.1741 -62.0886 31.0869 -41.5271 33.9594 -1.70007 TIMING: 4086400 CPU: 12262.2, 0.00306901/step Wall: 12262.2, 0.00306901/step, 0.778846 hours remaining, 207.617188 MB of memory in use. ENERGY: 4086400 767.5553 2094.4212 1940.3097 113.6510 -206520.7404 18143.0166 0.0000 0.0000 34215.4115 -149246.3751 298.8117 -183461.7867 -149149.8355 299.4347 107.4794 140.7863 557617.7791 -16.6598 -16.5844 PRESSURE: 4086600 165.143 -25.2252 83.2309 -25.2255 24.2103 67.8289 83.23 67.829 -55.4415 GPRESSURE: 4086600 177.315 3.62119 16.0694 -130.375 25.4534 80.8243 59.0698 82.8914 15.8613 PRESSAVG: 4086600 35.4296 -3.56784 -0.242675 -3.56773 -31.4605 23.7222 -0.24272 23.7223 27.0046 GPRESSAVG: 4086600 35.0951 1.3993 0.438908 -5.8636 -30.5549 25.6045 -1.06026 21.5559 26.2896 TIMING: 4086600 CPU: 12262.8, 0.00304125/step Wall: 12262.8, 0.00304125/step, 0.771634 hours remaining, 207.617188 MB of memory in use. ENERGY: 4086600 780.9719 2137.6309 1950.1162 99.0251 -206228.2998 17880.7436 0.0000 0.0000 34061.5540 -149318.2581 297.4680 -183379.8121 -149228.4238 298.9390 44.6372 72.8764 558148.9064 10.3246 10.2766 PRESSURE: 4086800 96.8243 -94.6005 -228.452 -94.5981 214.073 -10.3489 -228.451 -10.3491 21.8885 GPRESSURE: 4086800 81.9349 -128.568 -205.896 -83.7233 217.734 -3.2087 -292.609 -45.1385 121.045 PRESSAVG: 4086800 -48.3977 52.1328 16.7499 52.1328 1.07917 16.9934 16.7501 16.9933 40.1025 GPRESSAVG: 4086800 -48.2422 50.5297 15.7364 52.963 0.593716 16.6437 17.2909 18.6345 40.87 TIMING: 4086800 CPU: 12263.4, 0.00304754/step Wall: 12263.4, 0.00304754/step, 0.773059 hours remaining, 207.617188 MB of memory in use. ENERGY: 4086800 720.2903 2103.5340 1949.0663 103.9012 -206636.8259 18152.7778 0.0000 0.0000 34285.6376 -149321.6185 299.4250 -183607.2561 -149220.5372 298.7677 110.9285 140.2381 556591.6665 -2.4053 -2.2595 PRESSURE: 4087000 -207.281 10.0986 78.4309 10.0981 2.85438 15.5272 78.4309 15.5263 -7.95807 GPRESSURE: 4087000 -159.693 -78.9791 103.185 46.4599 39.514 -75.0618 15.9485 -43.5489 10.2721 PRESSAVG: 4087000 18.2 -41.7627 0.0377409 -41.7627 29.4516 -8.13282 0.0376867 -8.13278 -80.7081 GPRESSAVG: 4087000 17.5757 -41.1088 1.23151 -41.6702 29.6865 -10.1613 -0.77724 -7.86727 -79.9497 TIMING: 4087000 CPU: 12264, 0.00303457/step Wall: 12264, 0.00303457/step, 0.7696 hours remaining, 207.617188 MB of memory in use. ENERGY: 4087000 778.1234 2151.0704 1955.2825 118.6851 -206278.3121 17670.3822 0.0000 0.0000 34311.6041 -149293.1644 299.6518 -183604.7685 -149202.2043 298.7096 -70.7949 -36.6357 557610.9328 -11.0188 -10.8958 PRESSURE: 4087200 -294.625 52.4138 -27.1653 52.4127 -234.104 48.7964 -27.1659 48.7963 -80.7374 GPRESSURE: 4087200 -230.808 84.7777 64.784 5.24435 -220.734 27.3147 -18.8592 78.2427 -60.8651 PRESSAVG: 4087200 -33.406 29.8386 -19.5379 29.8386 -30.1281 -8.32586 -19.538 -8.32584 59.0493 GPRESSAVG: 4087200 -32.6577 29.0034 -21.3608 28.0888 -30.7422 -8.99829 -19.0868 -8.65743 58.3228 TIMING: 4087200 CPU: 12264.6, 0.0030621/step Wall: 12264.6, 0.0030621/step, 0.776411 hours remaining, 207.617188 MB of memory in use. ENERGY: 4087200 714.3356 2116.2517 1921.3215 116.6552 -206106.7978 17525.7041 0.0000 0.0000 34222.8291 -149489.7005 298.8765 -183712.5296 -149392.7913 298.6979 -203.1557 -170.8025 558751.5008 -1.4949 -1.6924 PRESSURE: 4087400 0.693941 -32.7793 -142.963 -32.7788 57.2008 111.166 -142.961 111.167 -149.245 GPRESSURE: 4087400 10.7231 30.1693 -178.126 -96.4003 79.2596 124.874 -59.4627 163.11 -79.7658 PRESSAVG: 4087400 -35.298 25.8044 -12.1103 25.8043 -42.8294 19.1653 -12.1102 19.1653 33.3082 GPRESSAVG: 4087400 -36.4862 25.7706 -10.6655 25.4302 -42.6927 20.61 -11.8894 18.9927 34.194 TIMING: 4087400 CPU: 12265.3, 0.00307261/step Wall: 12265.3, 0.00307261/step, 0.778907 hours remaining, 207.617188 MB of memory in use. ENERGY: 4087400 802.4895 2058.0285 1949.6943 109.9514 -206617.1509 18042.7005 0.0000 0.0000 34135.3656 -149518.9211 298.1126 -183654.2866 -149419.2016 297.7621 -30.4501 3.4057 557237.9800 -14.9397 -14.9949 PRESSURE: 4087600 -242.877 13.2326 -155.547 13.2327 -72.2222 71.2865 -155.548 71.2869 17.6456 GPRESSURE: 4087600 -197.376 16.7533 -201.123 -6.76301 -69.5823 56.3176 -170.864 50.129 73.8709 PRESSAVG: 4087600 -28.6368 48.8348 7.30776 48.8348 13.1791 53.0225 7.30769 53.0225 -21.7331 GPRESSAVG: 4087600 -27.8878 50.0381 6.84086 49.9185 12.7511 53.3266 7.61521 52.6779 -22.1158 TIMING: 4087600 CPU: 12265.9, 0.00305262/step Wall: 12265.9, 0.00305262/step, 0.77367 hours remaining, 207.617188 MB of memory in use. ENERGY: 4087600 753.1270 2107.6996 1964.1162 111.6164 -205960.2532 17561.6581 0.0000 0.0000 34118.2604 -149343.7754 297.9633 -183462.0358 -149251.8983 298.3680 -99.1513 -64.3624 558851.7748 -12.3969 -12.4175 PRESSURE: 4087800 230.394 -138.46 -52.9459 -138.459 139.75 -86.9143 -52.945 -86.9141 88.7155 GPRESSURE: 4087800 281.68 -116.279 -22.3992 -93.2474 122.636 -47.6573 -10.9997 -48.7128 137.968 PRESSAVG: 4087800 41.1542 -54.2882 20.3109 -54.2882 -42.316 -24.1635 20.3109 -24.1634 6.32297 GPRESSAVG: 4087800 42.1581 -54.5363 21.2644 -53.7628 -42.7818 -23.2968 20.3967 -24.0898 5.76226 TIMING: 4087800 CPU: 12266.5, 0.00305034/step Wall: 12266.5, 0.00305034/step, 0.772922 hours remaining, 207.617188 MB of memory in use. ENERGY: 4087800 729.9748 2115.0082 1942.1358 114.9171 -206673.7363 18118.8051 0.0000 0.0000 34139.2774 -149513.6180 298.1468 -183652.8954 -149420.5811 298.5969 152.9531 180.7614 556401.6929 1.7204 1.7129 PRESSURE: 4088000 155.429 -177.399 -197.067 -177.4 -95.771 -239.404 -197.066 -239.403 -224.437 GPRESSURE: 4088000 167.931 -89.3822 -174.354 -171.752 -60.8701 -324.053 -149.994 -118.474 -181.447 PRESSAVG: 4088000 -35.8178 19.2111 29.9266 19.211 49.6277 -9.42577 29.9267 -9.42574 -50.4869 GPRESSAVG: 4088000 -37.4743 19.2514 30.3974 18.441 50.7847 -10.4244 28.209 -8.74285 -50.081 TIMING: 4088000 CPU: 12267.1, 0.003067/step Wall: 12267.1, 0.003067/step, 0.776975 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: 4088000 712.2504 2141.4554 1945.1506 107.7554 -206393.0566 17827.8869 0.0000 0.0000 34135.6065 -149522.9516 298.1147 -183658.5580 -149424.6324 297.7475 -54.9264 -24.7955 559467.9565 -12.2257 -12.2569 PRESSURE: 4088200 -96.8104 -42.3725 91.2698 -42.3724 25.5995 55.4528 91.2693 55.4533 -63.1492 GPRESSURE: 4088200 -26.271 51.0972 91.8418 -24.1933 3.3025 41.0583 133.227 84.2518 -4.02031 PRESSAVG: 4088200 -32.6391 -39.8386 30.7592 -39.8385 -2.34945 16.3905 30.7592 16.3907 6.66012 GPRESSAVG: 4088200 -31.6663 -38.3295 30.0252 -38.8648 -1.99107 16.0983 32.8675 16.8531 5.89147 TIMING: 4088200 CPU: 12267.7, 0.00307905/step Wall: 12267.7, 0.00307905/step, 0.779856 hours remaining, 207.617188 MB of memory in use. ENERGY: 4088200 754.2252 2127.6956 1950.0346 113.8786 -207013.1278 18241.0464 0.0000 0.0000 34298.7044 -149527.5430 299.5391 -183826.2474 -149427.4273 298.6705 -44.7867 -8.9963 558354.1247 -9.4428 -9.2553 LDB: ============= START OF LOAD BALANCING ============== 12271.1 LDB: ============== END OF LOAD BALANCING =============== 12271.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12271.1 LDB: ============= START OF LOAD BALANCING ============== 12271.5 LDB: Largest compute 4820 load 0.023761 is 20.1% of average load 0.118179 LDB: Average compute 0.001724 is 1.5% of average load 0.118179 LDB: TIME 12271.5 LOAD: AVG 0.118179 MAX 0.2199 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.469 MB LDB: TIME 12271.5 LOAD: AVG 0.118179 MAX 0.2199 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.473 MB LDB: TIME 12271.5 LOAD: AVG 0.118179 MAX 0.2199 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.473 MB LDB: ============== END OF LOAD BALANCING =============== 12271.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12271.5 PRESSURE: 4088400 -39.7586 32.7815 -13.4127 32.7829 -19.3005 -53.4115 -13.4124 -53.411 11.7987 GPRESSURE: 4088400 -6.96008 9.03735 -25.5639 105.3 -10.3904 -9.02904 99.8671 -44.262 64.0511 PRESSAVG: 4088400 -69.7006 -44.4127 -0.63079 -44.4125 77.6148 5.59079 -0.63074 5.59072 2.80284 GPRESSAVG: 4088400 -70.9001 -45.306 -0.718026 -44.8486 77.3945 7.27261 -0.833039 6.0416 3.52535 TIMING: 4088400 CPU: 12268.3, 0.00312023/step Wall: 12268.3, 0.00312023/step, 0.790112 hours remaining, 206.847656 MB of memory in use. ENERGY: 4088400 766.2074 2123.4701 1935.9774 117.9352 -206741.3668 18098.5478 0.0000 0.0000 34169.4279 -149529.8010 298.4101 -183699.2289 -149430.1457 298.5208 -15.7535 15.5669 557505.7476 3.5724 3.3399 PRESSURE: 4088600 -139.341 -144.548 13.1275 -144.549 148.145 -50.1348 13.1263 -50.1362 277.237 GPRESSURE: 4088600 -127.783 -236.756 63.5933 -69.6059 215.287 -120.803 9.48493 17.1274 293.851 PRESSAVG: 4088600 -4.68964 -91.428 17.5031 -91.4281 -2.40164 82.8068 17.5032 82.8067 -12.9824 GPRESSAVG: 4088600 -3.94866 -93.2714 16.7835 -90.6423 -2.55314 80.357 16.8918 82.6187 -13.5219 TIMING: 4088600 CPU: 12269, 0.00309357/step Wall: 12269, 0.00309357/step, 0.783189 hours remaining, 207.050781 MB of memory in use. ENERGY: 4088600 748.2841 2073.6648 1935.6720 100.7273 -206767.0825 18060.6732 0.0000 0.0000 34374.1933 -149473.8677 300.1984 -183848.0610 -149379.4970 298.2014 95.3473 127.1184 557950.3971 -6.6912 -6.6746 PRESSURE: 4088800 104.48 15.7549 18.3983 15.7558 125.326 -88.9108 18.3989 -88.9107 161.947 GPRESSURE: 4088800 106.025 101.652 -22.48 -36.1701 151.308 -133.963 47.9598 -7.94258 236.236 PRESSAVG: 4088800 -22.4805 -27.8524 4.85918 -27.8524 29.9087 1.38615 4.85916 1.38614 31.2115 GPRESSAVG: 4088800 -22.3944 -24.0591 4.54984 -31.2193 29.6011 1.24147 4.24476 1.00568 31.4678 TIMING: 4088800 CPU: 12269.6, 0.00306497/step Wall: 12269.6, 0.00306497/step, 0.775777 hours remaining, 207.050781 MB of memory in use. ENERGY: 4088800 727.3641 2075.1756 1950.0781 115.3077 -206489.7875 17916.9629 0.0000 0.0000 34271.4168 -149433.4822 299.3008 -183704.8991 -149338.2320 298.7925 130.5844 164.5231 556834.3325 12.8799 12.8915 PRESSURE: 4089000 -139.936 -114.112 109.33 -114.111 -143.366 -127.938 109.33 -127.939 -211.64 GPRESSURE: 4089000 -103.544 -37.9172 166.812 -76.2776 -137.909 -91.5392 176.676 -137.736 -151.354 PRESSAVG: 4089000 -44.0362 -0.655156 26.6523 -0.655027 -7.75475 -11.4482 26.6522 -11.4481 46.6465 GPRESSAVG: 4089000 -44.5978 -2.86661 26.4509 1.5165 -7.58545 -11.8271 27.7205 -10.8836 47.0503 TIMING: 4089000 CPU: 12270.2, 0.00306951/step Wall: 12270.2, 0.00306951/step, 0.776758 hours remaining, 207.050781 MB of memory in use. ENERGY: 4089000 756.2962 2097.4456 1954.7704 97.9432 -206419.2095 17728.9813 0.0000 0.0000 34163.8289 -149619.9439 298.3612 -183783.7728 -149526.8174 298.2269 -164.9805 -130.9356 557839.8947 -1.7148 -1.7110 PRESSURE: 4089200 -219.71 -42.9794 16.2449 -42.9806 87.692 49.5997 16.2448 49.5969 6.21024 GPRESSURE: 4089200 -191.506 -22.4665 16.7669 -55.9662 117.205 103.069 75.441 46.3054 56.4427 PRESSAVG: 4089200 9.12531 1.83921 5.39773 1.8393 -26.0085 44.181 5.39778 44.1809 31.3846 GPRESSAVG: 4089200 9.50645 2.7158 5.56908 1.25197 -26.3726 46.1402 4.9854 42.5305 31.1884 TIMING: 4089200 CPU: 12270.8, 0.00309195/step Wall: 12270.8, 0.00309195/step, 0.782263 hours remaining, 207.050781 MB of memory in use. ENERGY: 4089200 756.0366 2068.2768 1956.6947 108.2385 -206697.5510 17882.9614 0.0000 0.0000 34304.1654 -149621.1777 299.5868 -183925.3431 -149523.6289 298.9153 -41.9360 -5.9527 556201.4653 4.8338 4.7741 PRESSURE: 4089400 -255.183 -21.6761 -114.311 -21.677 111.517 69.9028 -114.312 69.9034 -209.734 GPRESSURE: 4089400 -276.768 -50.5896 -142.636 2.45184 161.464 17.1548 -104.11 101.332 -152.583 PRESSAVG: 4089400 28.9861 -48.9526 1.62573 -48.9525 36.4207 30.7697 1.62563 30.7697 -23.5245 GPRESSAVG: 4089400 29.4377 -51.2884 1.68555 -47.9736 36.6178 28.8728 1.76426 30.7763 -23.4996 TIMING: 4089400 CPU: 12271.4, 0.00310258/step Wall: 12271.4, 0.00310258/step, 0.784781 hours remaining, 207.050781 MB of memory in use. ENERGY: 4089400 770.6466 2119.8845 1942.2302 116.3754 -206260.5740 17607.3279 0.0000 0.0000 34203.7193 -149500.3900 298.7096 -183704.1093 -149406.7275 298.5566 -117.8002 -89.2956 557289.8537 13.9608 14.1853 PRESSURE: 4089600 108.526 -68.6199 -158.808 -68.6202 -245.894 -47.3445 -158.808 -47.3434 -208.08 GPRESSURE: 4089600 129.329 -160.099 -162.259 31.6041 -213.311 -70.0119 -143.012 -68.0816 -157.483 PRESSAVG: 4089600 59.6453 -21.3575 -3.25645 -21.3576 -39.269 26.9893 -3.2564 26.9893 -3.87614 GPRESSAVG: 4089600 60.0635 -22.6435 -1.41697 -20.8595 -38.3378 26.1339 -3.77287 26.4683 -4.97187 TIMING: 4089600 CPU: 12272, 0.0031031/step Wall: 12272, 0.0031031/step, 0.78474 hours remaining, 207.050781 MB of memory in use. ENERGY: 4089600 762.4339 2106.4792 1944.7703 120.0404 -206131.6936 17665.3807 0.0000 0.0000 33987.2100 -149545.3792 296.8188 -183532.5892 -149453.1800 298.6818 -115.1492 -80.4887 555615.5881 5.5001 5.5846 PRESSURE: 4089800 19.0674 -24.314 138.751 -24.3142 189.51 1.9335 138.751 1.93282 53.4418 GPRESSURE: 4089800 70.7815 27.5225 174.421 -17.669 180.906 27.7222 83.3684 59.1061 94.2401 PRESSAVG: 4089800 51.7776 -57.6518 6.96424 -57.6519 5.73705 23.7078 6.96412 23.7078 -28.5848 GPRESSAVG: 4089800 52.5978 -55.9731 4.97137 -60.2124 4.54887 24.3689 8.5738 24.8226 -28.0072 TIMING: 4089800 CPU: 12272.7, 0.0030571/step Wall: 12272.7, 0.0030571/step, 0.772937 hours remaining, 207.050781 MB of memory in use. ENERGY: 4089800 789.8422 2093.5051 1949.9555 119.2394 -206830.3969 18124.9337 0.0000 0.0000 34192.9481 -149559.9729 298.6155 -183752.9210 -149461.2314 298.4401 87.3398 115.3091 556987.6502 9.6433 9.7132 PRESSURE: 4090000 -147.544 -7.79028 21.9374 -7.78958 267.312 75.4756 21.9371 75.4803 232.265 GPRESSURE: 4090000 -120.637 36.0338 2.662 -66.247 265.773 26.0395 -17.4252 120.22 314.292 PRESSAVG: 4090000 -110.485 -10.3897 -26.0422 -10.3896 124.093 34.7336 -26.0422 34.7335 27.0018 GPRESSAVG: 4090000 -111.882 -9.57472 -24.6139 -9.09656 125.328 36.8839 -28.4203 34.5993 26.9839 TIMING: 4090000 CPU: 12273.3, 0.00304218/step Wall: 12273.3, 0.00304218/step, 0.768996 hours remaining, 207.050781 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: 4090000 742.1866 2052.4769 1937.1725 124.1987 -206807.1340 18152.9897 0.0000 0.0000 34234.5830 -149563.5267 298.9791 -183798.1096 -149471.2113 298.7780 117.3440 153.1428 557448.3159 13.5364 13.4765 PRESSURE: 4090200 -185.458 -4.55312 155.413 -4.55329 114.307 115.117 155.412 115.119 203.845 GPRESSURE: 4090200 -177.305 36.8006 111.985 14.088 146.101 114.126 231.457 104.864 268.804 PRESSAVG: 4090200 -109.54 18.0449 -1.66135 18.0449 98.6195 24.5711 -1.66132 24.571 36.8294 GPRESSAVG: 4090200 -109.954 16.8312 -3.26014 18.728 98.8082 23.1699 -1.25365 22.8492 37.3816 TIMING: 4090200 CPU: 12273.9, 0.00303812/step Wall: 12273.9, 0.00303812/step, 0.7678 hours remaining, 207.050781 MB of memory in use. ENERGY: 4090200 732.8195 2083.2117 1933.9016 123.5732 -206514.2947 17760.6293 0.0000 0.0000 34324.7948 -149555.3646 299.7670 -183880.1594 -149459.0555 298.8582 44.2315 79.1999 556248.2630 8.6362 8.7451 PRESSURE: 4090400 -204.65 109.036 90.1731 109.037 54.3014 -52.999 90.1746 -53.0001 55.7583 GPRESSURE: 4090400 -188.5 71.7026 117.995 125.704 83.7247 -24.8976 31.0286 -88.3309 110.004 PRESSAVG: 4090400 -67.1152 17.203 25.1842 17.203 72.3703 13.1232 25.1842 13.1231 47.6411 GPRESSAVG: 4090400 -66.6214 17.0058 24.6973 18.5016 71.8031 12.7993 24.2551 14.0015 47.6082 TIMING: 4090400 CPU: 12274.5, 0.00303116/step Wall: 12274.5, 0.00303116/step, 0.765873 hours remaining, 207.050781 MB of memory in use. ENERGY: 4090400 745.3821 2079.1772 1916.7162 119.0989 -206197.5187 17751.0760 0.0000 0.0000 34105.4565 -149480.6117 297.8514 -183586.0682 -149382.1479 298.5404 -31.5300 1.7430 556753.3187 17.6321 17.5966 PRESSURE: 4090600 16.2542 -73.1156 -202.458 -73.1155 -130.174 20.6914 -202.458 20.6894 -144.991 GPRESSURE: 4090600 -21.7237 -100.273 -232.726 -91.1157 -61.3494 42.7813 -240.307 -33.6387 -89.4089 PRESSAVG: 4090600 -69.4578 39.7662 -33.4897 39.7662 60.3677 -3.67961 -33.4897 -3.67979 -9.0658 GPRESSAVG: 4090600 -70.0637 41.1621 -34.5039 37.684 61.0109 -3.90313 -32.5602 -3.67126 -9.38639 TIMING: 4090600 CPU: 12275.1, 0.00304019/step Wall: 12275.1, 0.00304019/step, 0.767987 hours remaining, 207.050781 MB of memory in use. ENERGY: 4090600 730.2895 2075.8926 1959.7427 118.7312 -206182.3266 17751.9157 0.0000 0.0000 34099.2259 -149446.5291 297.7970 -183545.7550 -149354.1740 298.6478 -86.3038 -57.4940 558189.9414 -6.0519 -6.1464 PRESSURE: 4090800 73.9737 -7.49923 76.6004 -7.49748 -190.903 -3.51866 76.6019 -3.51836 -132.938 GPRESSURE: 4090800 22.3496 32.8547 70.1766 -42.4912 -91.1703 -30.8026 34.2908 -11.7843 -81.6943 PRESSAVG: 4090800 53.8462 -32.0958 11.0798 -32.0958 -18.5181 -38.8803 11.0798 -38.8804 0.709473 GPRESSAVG: 4090800 53.141 -31.2129 12.6161 -32.865 -18.9083 -38.7207 10.4518 -37.7832 1.77283 TIMING: 4090800 CPU: 12275.7, 0.00304721/step Wall: 12275.7, 0.00304721/step, 0.769589 hours remaining, 207.050781 MB of memory in use. ENERGY: 4090800 742.4225 2143.6437 1909.6325 129.2110 -206447.3408 17828.7355 0.0000 0.0000 34227.1631 -149466.5325 298.9143 -183693.6956 -149368.3296 299.0460 -83.2889 -50.1717 557748.0637 12.0125 12.0019 PRESSURE: 4091000 200.728 14.4721 -182.393 14.4706 25.8078 8.8068 -182.393 8.80766 67.3837 GPRESSURE: 4091000 223.135 0.104588 -170.685 104.603 74.6563 -40.121 -77.8216 41.289 104.15 PRESSAVG: 4091000 41.6306 -32.5626 -16.5262 -32.5627 -69.9571 36.486 -16.5261 36.4861 0.35844 GPRESSAVG: 4091000 42.8257 -34.1335 -15.8735 -30.7336 -70.2877 37.675 -15.9875 35.6581 -1.1732 TIMING: 4091000 CPU: 12276.3, 0.00307415/step Wall: 12276.3, 0.00307415/step, 0.776224 hours remaining, 207.050781 MB of memory in use. ENERGY: 4091000 745.9780 2092.6538 1946.7966 115.5815 -206761.3318 18082.9608 0.0000 0.0000 34203.7227 -149573.6385 298.7096 -183777.3612 -149475.5457 297.7705 97.9731 133.9802 556855.7576 -9.3227 -9.5451 PRESSURE: 4091200 127.019 -12.2522 46.5349 -12.2534 -43.453 -77.1999 46.5341 -77.2004 -59.0419 GPRESSURE: 4091200 174.483 -14.4162 13.5468 -55.4278 -22.5186 -55.3369 35.0649 -55.9136 -39.6316 PRESSAVG: 4091200 37.173 -49.4904 15.6593 -49.4904 -28.0575 8.50206 15.6592 8.50213 -11.3635 GPRESSAVG: 4091200 35.3695 -49.1005 15.3879 -50.633 -28.4993 7.14634 15.9399 9.74176 -9.31002 TIMING: 4091200 CPU: 12276.9, 0.00311153/step Wall: 12276.9, 0.00311153/step, 0.785489 hours remaining, 207.050781 MB of memory in use. ENERGY: 4091200 754.4193 2135.4916 1936.2443 110.4997 -206424.7815 17758.5140 0.0000 0.0000 34351.8404 -149377.7723 300.0032 -183729.6127 -149287.7459 299.0658 8.1747 37.4441 557076.1030 -0.7493 -0.8133 PRESSURE: 4091400 -169.826 -159.202 36.3934 -159.204 -235.14 -67.7576 36.3948 -67.7568 -44.3488 GPRESSURE: 4091400 -143.473 -78.6357 20.6594 -228.258 -186.788 -36.9183 49.8805 -33.8121 -31.8952 PRESSAVG: 4091400 8.19867 -3.74839 -0.172105 -3.74831 -69.408 -29.9007 -0.172014 -29.9006 53.3058 GPRESSAVG: 4091400 9.46715 -4.25895 0.617276 -4.62472 -68.2676 -31.4345 -0.724513 -29.0416 51.0866 TIMING: 4091400 CPU: 12277.5, 0.00309442/step Wall: 12277.5, 0.00309442/step, 0.780998 hours remaining, 207.050781 MB of memory in use. ENERGY: 4091400 800.5400 2149.0501 1933.1665 107.8585 -205947.2733 17427.3332 0.0000 0.0000 34242.5433 -149286.7818 299.0486 -183529.3251 -149197.0733 298.8240 -149.7716 -120.7185 556916.7363 -2.6345 -2.5713 PRESSURE: 4091600 -74.4932 11.7064 138.391 11.7058 -118.756 48.4975 138.39 48.4973 -32.6682 GPRESSURE: 4091600 30.6468 -64.9718 164.942 99.8009 -114.362 28.0989 120.036 107.775 -52.4484 PRESSAVG: 4091600 19.019 -5.59235 -7.49981 -5.59232 -80.5659 -12.4838 -7.49989 -12.4838 58.7987 GPRESSAVG: 4091600 19.8355 -7.20906 -9.38251 -3.03434 -81.6624 -9.35065 -6.16743 -15.1307 59.1398 TIMING: 4091600 CPU: 12278.2, 0.00309465/step Wall: 12278.2, 0.00309465/step, 0.780884 hours remaining, 207.050781 MB of memory in use. ENERGY: 4091600 719.0109 2146.9901 1946.2586 115.4847 -205993.8377 17537.7152 0.0000 0.0000 34138.7454 -149389.6329 298.1422 -183528.3782 -149293.2234 299.4657 -75.3059 -45.3878 557095.7952 -0.9161 -0.8957 PRESSURE: 4091800 -98.7706 4.72564 -53.7868 4.72552 299.751 79.7051 -53.7854 79.7054 -80.2893 GPRESSURE: 4091800 25.0045 -50.8264 -116.002 51.9456 267.515 74.6767 -159.908 67.9376 -86.5545 PRESSAVG: 4091800 20.1181 61.2299 13.6373 61.23 -15.527 24.993 13.6373 24.993 12.0205 GPRESSAVG: 4091800 19.9991 65.3007 14.2723 58.5564 -15.2652 25.0986 13.8307 25.8559 11.9674 TIMING: 4091800 CPU: 12278.8, 0.00308568/step Wall: 12278.8, 0.00308568/step, 0.778449 hours remaining, 207.050781 MB of memory in use. ENERGY: 4091800 750.3593 2106.2938 1930.3414 109.2709 -206232.2203 17789.3391 0.0000 0.0000 34149.8679 -149396.7480 298.2393 -183546.6158 -149300.9660 298.4724 40.2304 68.6552 557245.7101 5.5372 5.5671 PRESSURE: 4092000 169 -36.2187 187.959 -36.2185 -58.086 -113.619 187.958 -113.621 67.3721 GPRESSURE: 4092000 157.687 -8.81779 179.936 -114.24 -25.4893 -93.2513 77.8527 -160.862 131.609 PRESSAVG: 4092000 47.3202 -42.1811 7.63686 -42.1811 -25.3098 21.5585 7.63695 21.5586 -7.20272 GPRESSAVG: 4092000 46.4297 -42.5854 8.9253 -42.9529 -26.1408 19.6397 6.01933 21.6016 -6.06515 TIMING: 4092000 CPU: 12279.4, 0.00307047/step Wall: 12279.4, 0.00307047/step, 0.77444 hours remaining, 207.050781 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: 4092000 746.7958 2061.1301 1960.0171 111.5456 -206291.1866 17760.7012 0.0000 0.0000 34279.7767 -149371.2202 299.3738 -183650.9969 -149266.6380 298.3579 59.4286 87.9356 556912.1952 4.9359 4.7413 PRESSURE: 4092200 0.317762 -59.9893 49.6039 -59.9893 -18.6716 -46.1961 49.6044 -46.1946 -26.124 GPRESSURE: 4092200 81.8137 -43.2847 87.9265 -67.4189 -4.45508 -65.1041 66.4752 -14.2754 -16.5202 PRESSAVG: 4092200 13.0182 -11.0633 40.3268 -11.0632 -66.5515 20.0169 40.3269 20.0169 33.2531 GPRESSAVG: 4092200 13.1578 -12.4881 39.3426 -8.37809 -66.1864 20.0817 40.8549 20.7255 32.1885 TIMING: 4092200 CPU: 12280, 0.00309874/step Wall: 12280, 0.00309874/step, 0.781399 hours remaining, 207.050781 MB of memory in use. ENERGY: 4092200 719.1705 2078.5357 1969.4160 106.4359 -206319.8598 17848.0532 0.0000 0.0000 34302.4685 -149295.7801 299.5720 -183598.2485 -149192.2711 298.4637 -14.8260 20.2795 558286.2059 -6.7601 -6.9467 LDB: ============= START OF LOAD BALANCING ============== 12283.5 LDB: ============== END OF LOAD BALANCING =============== 12283.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12283.5 LDB: ============= START OF LOAD BALANCING ============== 12283.8 LDB: Largest compute 4820 load 0.026154 is 22.1% of average load 0.118158 LDB: Average compute 0.001722 is 1.5% of average load 0.118158 LDB: TIME 12283.8 LOAD: AVG 0.118158 MAX 0.222571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.652 MB LDB: TIME 12283.8 LOAD: AVG 0.118158 MAX 0.222571 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.652 MB LDB: TIME 12283.8 LOAD: AVG 0.118158 MAX 0.222571 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.652 MB LDB: ============== END OF LOAD BALANCING =============== 12283.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12283.8 PRESSURE: 4092400 -382.446 93.3359 11.8516 93.3355 176.716 -9.18554 11.8527 -9.18518 -365.308 GPRESSURE: 4092400 -295.492 190.121 -42.0592 35.0546 182.955 -42.6289 4.99929 58.9662 -366.034 PRESSAVG: 4092400 3.93678 9.38384 39.9811 9.38383 -47.7939 -17.7929 39.9812 -17.7929 64.44 GPRESSAVG: 4092400 4.20697 8.38913 39.4724 11.2581 -47.5417 -17.4848 39.416 -19.7068 64.4681 TIMING: 4092400 CPU: 12280.6, 0.00315079/step Wall: 12280.6, 0.00315079/step, 0.79435 hours remaining, 208.718750 MB of memory in use. ENERGY: 4092400 727.5544 2098.7965 1945.3726 113.9337 -205686.5144 17421.4183 0.0000 0.0000 34403.2834 -148976.1554 300.4524 -183379.4388 -148884.7648 299.5097 -190.3459 -159.5238 559956.2823 6.8610 7.0445 PRESSURE: 4092600 91.3333 -2.37035 91.4936 -2.37075 -63.9088 -41.4547 91.493 -41.4548 57.2037 GPRESSURE: 4092600 100.597 -14.3103 63.3984 71.7346 7.70077 -39.9918 2.2831 -69.1561 70.7936 PRESSAVG: 4092600 -45.6915 14.1656 -2.43262 14.1655 -2.83944 -67.7603 -2.43273 -67.7602 100.935 GPRESSAVG: 4092600 -46.7442 15.3399 -2.71116 10.787 -2.46551 -67.4574 0.680633 -65.9482 101.256 TIMING: 4092600 CPU: 12281.3, 0.00305731/step Wall: 12281.3, 0.00305731/step, 0.770612 hours remaining, 208.718750 MB of memory in use. ENERGY: 4092600 760.5695 2068.9134 1939.4470 98.7563 -206018.6450 17788.6661 0.0000 0.0000 34417.7036 -148944.5891 300.5784 -183362.2927 -148845.1367 300.5621 28.2094 59.6970 556900.8283 17.4681 17.3489 PRESSURE: 4092800 -167.636 -61.9707 -62.9559 -61.9702 -66.0447 65.2232 -62.9572 65.2243 -105.567 GPRESSURE: 4092800 -209.059 -87.6949 -116.988 43.4214 36.7286 81.9744 -5.5434 70.5049 -63.3014 PRESSAVG: 4092800 6.09028 -34.3627 -11.004 -34.3626 17.6609 7.8871 -11.004 7.88711 -7.83156 GPRESSAVG: 4092800 5.57771 -34.8144 -10.7499 -33.485 17.952 8.88285 -11.5868 6.20943 -7.35184 TIMING: 4092800 CPU: 12281.9, 0.00305034/step Wall: 12281.9, 0.00305034/step, 0.768687 hours remaining, 208.718750 MB of memory in use. ENERGY: 4092800 761.5896 2053.2727 1964.9181 108.3162 -206056.6847 17743.8883 0.0000 0.0000 34542.3601 -148882.3397 301.6670 -183424.6997 -148789.6242 300.1058 -113.0825 -78.5438 558577.9436 5.3065 5.3926 PRESSURE: 4093000 155.417 220.493 -27.9648 220.492 384.643 37.9577 -27.9644 37.9556 -16.1369 GPRESSURE: 4093000 111.577 310.284 -65.8198 186.61 459.147 83.0214 -112.655 53.7494 45.412 PRESSAVG: 4093000 -21.766 -49.6557 45.813 -49.6557 29.3066 -22.6475 45.8131 -22.6475 -29.9556 GPRESSAVG: 4093000 -22.2208 -47.6495 45.5562 -51.5989 30.2627 -24.3002 44.957 -21.4857 -30.6349 TIMING: 4093000 CPU: 12282.5, 0.00307636/step Wall: 12282.5, 0.00307636/step, 0.775071 hours remaining, 208.718750 MB of memory in use. ENERGY: 4093000 756.4007 2044.8344 1935.4659 120.7399 -206234.9496 18044.5120 0.0000 0.0000 34258.1479 -149074.8488 299.1849 -183332.9967 -148984.3791 299.6886 174.6411 205.3787 557157.9021 -7.4716 -7.5310 PRESSURE: 4093200 -237.792 89.2211 10.3586 89.2212 59.1773 -27.3204 10.3577 -27.3215 -82.2589 GPRESSURE: 4093200 -190.176 43.2907 15.4861 166 106.461 -64.0101 -17.7567 -85.636 -77.8334 PRESSAVG: 4093200 22.4866 -16.3559 4.6697 -16.3559 -7.46098 -31.2809 4.66963 -31.2809 7.5929 GPRESSAVG: 4093200 23.5843 -18.2191 6.0241 -12.8327 -9.1994 -30.8273 3.41033 -30.1194 8.3978 TIMING: 4093200 CPU: 12283.1, 0.00306032/step Wall: 12283.1, 0.00306032/step, 0.77086 hours remaining, 208.718750 MB of memory in use. ENERGY: 4093200 770.1996 2072.0979 1940.2385 114.9541 -206149.8617 17833.1397 0.0000 0.0000 34351.3138 -149067.9181 299.9986 -183419.2320 -148970.8939 299.4570 -86.9580 -53.8495 556933.6951 7.5395 7.5942 PRESSURE: 4093400 81.415 -34.6317 107.523 -34.6338 238.891 -76.9841 107.522 -76.9829 60.6618 GPRESSURE: 4093400 110.814 -29.1194 -4.02116 47.3271 243.661 -102.8 130.313 -48.6312 123.245 PRESSAVG: 4093400 -11.667 51.6595 -11.5163 51.6595 63.5566 -44.4112 -11.5163 -44.4111 5.77303 GPRESSAVG: 4093400 -11.8293 52.9703 -12.3343 50.5278 64.2918 -44.4887 -11.2999 -46.3717 4.75629 TIMING: 4093400 CPU: 12283.7, 0.00305598/step Wall: 12283.7, 0.00305598/step, 0.769599 hours remaining, 208.718750 MB of memory in use. ENERGY: 4093400 711.6029 2080.8071 1953.4762 121.4982 -206325.8935 17969.2367 0.0000 0.0000 34430.8090 -149058.4635 300.6928 -183489.2725 -148955.1464 300.0051 126.9893 159.2403 557726.1695 19.2209 19.0729 PRESSURE: 4093600 -114.215 -30.8224 -9.94817 -30.823 -117.33 66.5759 -9.9473 66.5757 -43.3671 GPRESSURE: 4093600 -49.9622 -25.2062 12.9897 -39.034 -117.919 34.9649 -30.1332 104.304 -19.4961 PRESSAVG: 4093600 34.4481 34.185 -31.9525 34.185 30.7644 10.2657 -31.9524 10.2658 -33.769 GPRESSAVG: 4093600 35.033 31.1667 -31.2233 35.0519 30.4941 10.7657 -31.7634 9.4243 -33.3136 TIMING: 4093600 CPU: 12284.3, 0.00305299/step Wall: 12284.3, 0.00305299/step, 0.768675 hours remaining, 208.718750 MB of memory in use. ENERGY: 4093600 752.5915 2048.7143 1937.7955 114.2591 -206054.5500 17785.9788 0.0000 0.0000 34259.0993 -149156.1117 299.1932 -183415.2109 -149053.8831 299.7217 -91.6373 -62.4590 558227.8659 10.4811 10.7378 PRESSURE: 4093800 -118.71 49.3101 171.944 49.312 -206.54 -29.7996 171.944 -29.8009 19.3033 GPRESSURE: 4093800 -21.9331 -33.0915 238.939 91.5766 -227.286 -38.2396 43.538 8.78878 40.813 PRESSAVG: 4093800 77.2489 13.5113 45.3413 13.5112 -41.6792 -36.1538 45.3412 -36.1538 3.64456 GPRESSAVG: 4093800 76.476 14.9746 46.1993 11.3688 -40.9636 -36.2077 45.1182 -34.4711 4.54134 TIMING: 4093800 CPU: 12284.9, 0.00308627/step Wall: 12284.9, 0.00308627/step, 0.776883 hours remaining, 208.718750 MB of memory in use. ENERGY: 4093800 733.0616 2138.2194 1941.0720 118.5788 -205985.8840 17718.9592 0.0000 0.0000 34132.6581 -149203.3348 298.0890 -183335.9929 -149114.3907 298.8820 -101.9823 -69.4689 558961.3095 13.0715 13.3512 PRESSURE: 4094000 -222.826 -67.2041 -29.3132 -67.2044 -70.2061 -200.068 -29.3145 -200.067 -116.428 GPRESSURE: 4094000 -170.535 -118.398 -27.5572 -12.4309 -85.0381 -225.403 29.3291 -145.48 -55.9439 PRESSAVG: 4094000 16.1789 16.9414 11.8139 16.9414 -37.7605 -13.8807 11.8138 -13.8806 16.7307 GPRESSAVG: 4094000 17.5335 16.9867 12.0382 17.2602 -39.7168 -13.4563 10.4719 -13.4614 16.9682 TIMING: 4094000 CPU: 12285.5, 0.00304691/step Wall: 12285.5, 0.00304691/step, 0.766806 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: 4094000 749.9199 2047.9761 1956.7504 115.1077 -205883.8109 17722.3252 0.0000 0.0000 34069.3801 -149222.3514 297.5364 -183291.7315 -149122.8467 299.1336 -136.4868 -103.8391 558540.1060 -1.6170 -1.7383 PRESSURE: 4094200 89.4485 -194.785 49.7411 -194.786 133.336 -22.8555 49.7415 -22.8572 -162.834 GPRESSURE: 4094200 115.197 -217.904 35.5337 -144.224 190.546 -32.5334 92.8517 -51.3486 -156.88 PRESSAVG: 4094200 96.747 -7.85676 34.9116 -7.85685 -13.8061 41.0725 34.9116 41.0724 -52.4301 GPRESSAVG: 4094200 95.682 -5.33326 32.7873 -7.85368 -12.5907 40.1953 37.7299 41.2757 -52.3951 TIMING: 4094200 CPU: 12286.2, 0.00304622/step Wall: 12286.2, 0.00304622/step, 0.766463 hours remaining, 208.718750 MB of memory in use. ENERGY: 4094200 787.8817 2119.1089 1954.1555 114.5076 -206338.2403 17900.2044 0.0000 0.0000 34322.7781 -149139.6040 299.7494 -183462.3821 -149043.7246 298.6412 19.9836 49.6208 557745.9880 10.1703 10.2321 PRESSURE: 4094400 -212.61 72.545 41.2373 72.5454 -344.906 132.705 41.2368 132.704 -441.901 GPRESSURE: 4094400 -178.376 69.6157 20.2837 9.84586 -347.576 123.299 71.7706 85.1308 -382.001 PRESSAVG: 4094400 74.837 -14.6783 -36.9207 -14.6782 -35.3909 -38.568 -36.9208 -38.5681 -56.0004 GPRESSAVG: 4094400 74.7107 -17.6277 -35.3465 -15.2902 -35.4993 -39.2235 -38.0722 -39.2967 -55.8598 TIMING: 4094400 CPU: 12286.8, 0.0030668/step Wall: 12286.8, 0.0030668/step, 0.77147 hours remaining, 208.718750 MB of memory in use. ENERGY: 4094400 752.8570 2112.4033 1921.8697 123.9122 -205749.4690 17455.4255 0.0000 0.0000 34305.6227 -149077.3786 299.5995 -183383.0013 -148978.9638 299.2303 -333.1390 -302.6511 560267.2070 -5.5181 -5.5495 PRESSURE: 4094600 -129.82 51.1656 -25.0252 51.1668 -46.5178 114.907 -25.0256 114.907 -53.2837 GPRESSURE: 4094600 -123.82 83.9593 43.4882 4.59215 -13.8809 136.26 -3.82248 112.784 9.96953 PRESSAVG: 4094600 -7.08751 46.5051 18.1384 46.5051 -18.5798 45.813 18.1384 45.8131 29.1172 GPRESSAVG: 4094600 -6.99922 48.9642 17.9132 47.1436 -17.4395 47.4239 17.4692 47.289 27.6829 TIMING: 4094600 CPU: 12287.4, 0.00303786/step Wall: 12287.4, 0.00303786/step, 0.764023 hours remaining, 208.718750 MB of memory in use. ENERGY: 4094600 762.2800 2059.1964 1936.9935 119.8313 -205760.2596 17723.4907 0.0000 0.0000 34098.1873 -149060.2804 297.7880 -183158.4677 -148963.3218 299.1816 -76.5404 -42.5771 559411.1521 1.1500 1.0814 PRESSURE: 4094800 156.917 73.3234 19.2185 73.3212 0.484351 53.3507 19.2183 53.3526 -21.8041 GPRESSURE: 4094800 192.156 24.9125 16.5901 33.1585 50.4283 53.0475 50.6891 59.5409 -2.6178 PRESSAVG: 4094800 -9.7741 4.87 36.3516 4.87005 11.6746 -14.6369 36.3517 -14.6369 -4.52205 GPRESSAVG: 4094800 -9.03459 3.74278 37.3994 3.88617 10.9524 -15.6056 35.6972 -15.4761 -4.43725 TIMING: 4094800 CPU: 12288, 0.00302934/step Wall: 12288, 0.00302934/step, 0.76171 hours remaining, 208.718750 MB of memory in use. ENERGY: 4094800 762.6725 2133.8890 1926.8834 127.1299 -206320.9983 17914.3812 0.0000 0.0000 34470.0463 -148985.9960 301.0355 -183456.0423 -148897.1000 299.3195 45.1991 79.9889 558620.9114 -0.8738 -0.8398 PRESSURE: 4095000 76.2334 -96.9075 94.8 -96.9078 -88.858 -163.23 94.8009 -163.229 -132.955 GPRESSURE: 4095000 112.998 -125.31 91.3896 -38.3199 -89.4927 -127.963 -0.766274 -151.63 -80.3931 PRESSAVG: 4095000 27.1761 -4.09296 -3.26623 -4.09293 56.758 6.25877 -3.2662 6.25869 -46.0375 GPRESSAVG: 4095000 26.0604 -4.41332 -5.42624 -2.36386 57.7795 6.67559 -2.22317 6.75178 -45.8637 TIMING: 4095000 CPU: 12288.6, 0.00304049/step Wall: 12288.6, 0.00304049/step, 0.764345 hours remaining, 208.718750 MB of memory in use. ENERGY: 4095000 740.0635 2149.7656 1922.6860 107.2962 -205927.4215 17630.1943 0.0000 0.0000 34301.7991 -149075.6168 299.5661 -183377.4159 -148968.4270 300.1656 -48.5264 -18.9626 556610.2624 12.6322 12.6588 PRESSURE: 4095200 -241.15 13.4166 -13.4868 13.4158 -318.889 22.1601 -13.4871 22.161 -214.08 GPRESSURE: 4095200 -202.301 -21.1247 -23.0477 17.806 -260.168 111.12 40.0259 -68.9105 -208.327 PRESSAVG: 4095200 -12.4793 6.09986 49.946 6.09987 7.78866 35.2984 49.9459 35.2985 -9.49121 GPRESSAVG: 4095200 -11.8691 6.02235 49.9999 4.68276 7.06914 34.5531 49.2217 35.9613 -8.51911 TIMING: 4095200 CPU: 12289.2, 0.00302523/step Wall: 12289.2, 0.00302523/step, 0.760342 hours remaining, 208.718750 MB of memory in use. ENERGY: 4095200 751.4161 2080.0685 1948.6054 123.1360 -205610.2146 17360.2280 0.0000 0.0000 34326.5107 -149020.2497 299.7820 -183346.7604 -148928.3984 300.1600 -258.0393 -223.5984 557941.6451 -4.7273 -4.4397 PRESSURE: 4095400 -44.4036 67.6521 -135.194 67.6513 -95.3702 19.4145 -135.193 19.4161 255.938 GPRESSURE: 4095400 30.4789 32.5169 -242.496 126.456 -58.0466 85.9499 -94.1195 14.9021 229.579 PRESSAVG: 4095400 -5.61571 -54.9659 -12.7192 -54.9658 -43.5877 25.136 -12.7193 25.1359 14.8787 GPRESSAVG: 4095400 -4.29314 -55.2509 -12.0532 -54.9028 -44.0105 26.3639 -12.0357 24.3012 13.8118 TIMING: 4095400 CPU: 12289.8, 0.00302647/step Wall: 12289.8, 0.00302647/step, 0.760485 hours remaining, 208.718750 MB of memory in use. ENERGY: 4095400 747.3925 2079.0221 1951.5570 126.6653 -205970.6865 17782.3305 0.0000 0.0000 34387.6489 -148896.0703 300.3159 -183283.7192 -148798.1148 300.1182 38.7215 67.3371 558023.9403 -11.4416 -11.4973 PRESSURE: 4095600 66.9189 -102.595 40.8722 -102.595 6.31625 -10.3634 40.8728 -10.3633 144.739 GPRESSURE: 4095600 84.8744 -130.759 67.7397 -65.9944 33.944 19.3764 -13.4789 42.6373 199.322 PRESSAVG: 4095600 -1.12706 6.02896 72.9481 6.02903 -18.4513 62.4088 72.948 62.4088 22.661 GPRESSAVG: 4095600 -3.27561 5.55194 72.3292 6.62321 -18.7742 59.9622 73.2765 64.5389 24.4227 TIMING: 4095600 CPU: 12290.4, 0.00305688/step Wall: 12290.4, 0.00305688/step, 0.767955 hours remaining, 208.718750 MB of memory in use. ENERGY: 4095600 778.1780 2031.1123 1962.4484 124.8082 -206265.6259 17895.6104 0.0000 0.0000 34378.8981 -149094.5706 300.2395 -183473.4687 -149003.5448 299.9272 72.6581 106.0469 556376.5651 1.0275 0.7910 PRESSURE: 4095800 -135.772 60.9836 24.5104 60.9836 -232.607 90.5138 24.5102 90.5128 101.765 GPRESSURE: 4095800 -99.7537 1.9336 124.736 75.5675 -171.075 -17.2069 110.663 102.55 113.105 PRESSAVG: 4095800 -12.9163 -12.0523 16.3582 -12.0522 -35.5934 -2.00609 16.3582 -2.00612 54.0776 GPRESSAVG: 4095800 -12.073 -12.7685 15.8107 -12.3791 -34.8234 -0.301645 18.3818 -2.61966 52.0739 TIMING: 4095800 CPU: 12291, 0.00305964/step Wall: 12291, 0.00305964/step, 0.768479 hours remaining, 208.718750 MB of memory in use. ENERGY: 4095800 727.6102 2106.4968 1892.4786 123.3687 -206077.9468 17737.7927 0.0000 0.0000 34448.2675 -149041.9324 300.8453 -183490.1999 -148951.2148 299.8587 -88.8713 -52.5746 557859.9675 1.8560 1.7258 PRESSURE: 4096000 -300.575 77.2416 -50.9543 77.2419 -98.476 28.5874 -50.9548 28.5871 -10.0911 GPRESSURE: 4096000 -255.259 146.126 19.7189 77.7583 -54.6236 21.6416 -57.0622 42.0232 -2.8143 PRESSAVG: 4096000 -0.358649 -15.0404 57.6104 -15.0403 -66.7133 -1.77497 57.6104 -1.77499 90.4785 GPRESSAVG: 4096000 -0.846732 -12.4383 58.0472 -15.6145 -66.6782 -3.50682 54.5637 -1.24965 90.4119 TIMING: 4096000 CPU: 12291.6, 0.00301962/step Wall: 12291.6, 0.00301962/step, 0.758261 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: 4096000 774.7451 2058.2794 1919.5257 116.7883 -205691.2305 17633.3220 0.0000 0.0000 34228.7599 -148959.8102 298.9283 -183188.5702 -148871.7029 299.9270 -136.3809 -104.2322 556919.2201 7.8022 7.6290 PRESSURE: 4096200 -226.04 -78.5454 -171.601 -78.5432 241.086 -227.069 -171.602 -227.069 -5.29622 GPRESSURE: 4096200 -161.485 -122.241 -132.23 23.7364 255.31 -164.276 -142.052 -205.898 20.6344 PRESSAVG: 4096200 39.7866 58.281 -11.0796 58.2809 -79.5866 -18.0866 -11.0796 -18.0867 32.3248 GPRESSAVG: 4096200 40.9643 56.7944 -9.70897 57.2542 -81.0482 -18.0601 -10.7755 -17.6011 31.9744 TIMING: 4096200 CPU: 12292.2, 0.00303571/step Wall: 12292.2, 0.00303571/step, 0.762131 hours remaining, 208.718750 MB of memory in use. ENERGY: 4096200 742.4247 2055.3854 1936.2730 99.4571 -206195.5517 17920.2688 0.0000 0.0000 34366.5788 -149075.1640 300.1319 -183441.7428 -148977.2462 299.6816 3.2499 38.1531 557496.4933 -2.4917 -2.7032 LDB: ============= START OF LOAD BALANCING ============== 12295.7 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12295.7 LDB: =============== DONE WITH MIGRATION ================ 12295.7 LDB: ============= START OF LOAD BALANCING ============== 12296 LDB: Largest compute 4820 load 0.024480 is 20.7% of average load 0.118172 LDB: Average compute 0.001727 is 1.5% of average load 0.118172 LDB: TIME 12296 LOAD: AVG 0.118172 MAX 0.218695 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.562 MB LDB: TIME 12296 LOAD: AVG 0.118172 MAX 0.218695 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.594 MB LDB: TIME 12296 LOAD: AVG 0.118172 MAX 0.218695 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.594 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12296 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12296 PRESSURE: 4096400 -10.9723 -40.9846 27.5142 -40.9848 39.8059 -103.03 27.5137 -103.031 54.319 GPRESSURE: 4096400 73.5994 -1.57853 64.8926 -143.077 63.0938 -73.5597 20.7468 -118.347 38.8458 PRESSAVG: 4096400 -32.2177 -10.4987 -37.2383 -10.4987 0.32299 -4.24839 -37.2383 -4.24845 -3.95336 GPRESSAVG: 4096400 -33.1317 -10.0931 -37.855 -10.4832 0.619764 -4.23665 -36.9528 -4.6375 -3.09799 TIMING: 4096400 CPU: 12292.9, 0.00310773/step Wall: 12292.9, 0.00310773/step, 0.78004 hours remaining, 207.050781 MB of memory in use. ENERGY: 4096400 711.9427 2072.8601 1942.9390 115.5811 -206239.5241 17785.5867 0.0000 0.0000 34459.5961 -149151.0184 300.9442 -183610.6146 -149055.1965 299.5803 27.7175 58.5130 558003.3819 -11.9494 -11.8700 PRESSURE: 4096600 -43.2502 -99.9161 -29.9006 -99.9173 -195.362 -27.8868 -29.9012 -27.8844 -283.262 GPRESSURE: 4096600 -51.852 -169.219 -44.265 -36.1219 -84.9389 25.3666 -62.4213 -50.8179 -296.543 PRESSAVG: 4096600 52.6542 25.9732 24.5952 25.9731 -16.3113 0.893215 24.5952 0.893367 50.7445 GPRESSAVG: 4096600 53.9807 24.6529 24.9747 25.9525 -16.0337 1.16212 22.0729 -0.15599 49.75 TIMING: 4096600 CPU: 12293.5, 0.00307986/step Wall: 12293.5, 0.00307986/step, 0.772873 hours remaining, 207.050781 MB of memory in use. ENERGY: 4096600 746.7750 2102.8685 1950.8526 131.7373 -205858.9592 17565.2619 0.0000 0.0000 34318.2828 -149043.1812 299.7101 -183361.4639 -148949.4291 299.8149 -173.9580 -144.4445 557272.3657 29.0291 29.2323 PRESSURE: 4096800 -86.5272 111.261 -94.8433 111.261 -152.02 3.88355 -94.8435 3.88585 12.1131 GPRESSURE: 4096800 -62.4094 247.283 -85.1946 93.7843 -117.764 10.9229 -42.5858 60.7565 45.5908 PRESSAVG: 4096800 10.7487 -28.5972 3.03514 -28.5972 55.4107 20.2563 3.03513 20.2562 -75.584 GPRESSAVG: 4096800 9.40542 -26.9194 0.648223 -27.0143 54.9587 21.5464 5.65997 21.1438 -73.4683 TIMING: 4096800 CPU: 12294.1, 0.0030551/step Wall: 12294.1, 0.0030551/step, 0.766491 hours remaining, 207.050781 MB of memory in use. ENERGY: 4096800 754.4889 2094.6292 1936.9795 111.6880 -206179.8507 17741.5736 0.0000 0.0000 34621.9110 -148918.5804 302.3618 -183540.4914 -148817.7553 300.1875 -75.4779 -44.8608 558372.6918 -3.1416 -3.0347 PRESSURE: 4097000 -90.0557 -81.3894 35.5801 -81.3896 -135.996 -204.003 35.5798 -204.003 -191.698 GPRESSURE: 4097000 -71.0511 -96.9189 62.9458 -91.3444 -113.421 -275.335 -4.65222 -206.654 -128.055 PRESSAVG: 4097000 19.4576 -45.818 26.1434 -45.8178 -8.44819 3.00467 26.1434 3.00468 -2.50873 GPRESSAVG: 4097000 20.3749 -47.2674 27.0655 -45.637 -7.42749 3.05666 24.3108 1.67702 -4.59901 TIMING: 4097000 CPU: 12294.7, 0.00307114/step Wall: 12294.7, 0.00307114/step, 0.770345 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097000 738.9280 2067.9944 1906.9203 111.1171 -205890.8808 17572.1253 0.0000 0.0000 34481.8789 -149011.9168 301.1388 -183493.7957 -148915.6777 300.4482 -139.2497 -104.1758 558889.3082 2.8336 2.7828 PRESSURE: 4097200 18.8785 -131.477 -85.6651 -131.477 176.682 -86.4943 -85.6649 -86.4956 -95.6203 GPRESSURE: 4097200 61.0206 -187.947 -31.7913 -102.224 158.44 -44.414 -101.84 -51.7439 -20.6832 PRESSAVG: 4097200 -22.8209 -57.2546 -22.1732 -57.2546 11.248 18.1035 -22.1733 18.1034 50.578 GPRESSAVG: 4097200 -21.8366 -57.5837 -21.3799 -57.3135 10.0174 17.2784 -22.7601 19.7039 51.2653 TIMING: 4097200 CPU: 12295.3, 0.00310448/step Wall: 12295.3, 0.00310448/step, 0.778534 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097200 721.5809 2135.3000 1929.8116 107.4143 -206324.4532 17985.3250 0.0000 0.0000 34507.2779 -148937.7433 301.3606 -183445.0212 -148845.8227 300.1098 33.3135 66.2593 557743.4768 13.0017 13.1487 PRESSURE: 4097400 27.1304 14.8135 -114.209 14.8123 -195.26 70.3932 -114.208 70.3951 -250.459 GPRESSURE: 4097400 72.4608 53.5952 -55.0638 -2.50044 -174.643 155.576 -119.812 74.0856 -232.027 PRESSAVG: 4097400 6.73571 -41.4973 -36.4493 -41.4974 -58.7312 45.6931 -36.4493 45.6932 31.8494 GPRESSAVG: 4097400 5.92028 -38.9511 -38.0448 -42.6557 -57.6496 44.1911 -33.8331 47.0941 31.2714 TIMING: 4097400 CPU: 12295.9, 0.00306838/step Wall: 12295.9, 0.00306838/step, 0.769311 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097400 781.3273 2066.4534 1931.6558 104.3339 -206121.5709 17674.2136 0.0000 0.0000 34412.7679 -149150.8189 300.5353 -183563.5868 -149055.4657 299.5248 -139.5294 -111.4032 558730.1033 -6.7154 -6.8193 PRESSURE: 4097600 131.392 8.43476 17.1569 8.43568 316.238 12.6912 17.1567 12.6914 159.313 GPRESSURE: 4097600 223.382 -7.46546 -36.854 119.623 333.941 43.7873 131.261 -17.9149 138.979 PRESSAVG: 4097600 90.7273 -35.4749 1.11481 -35.4748 -30.7907 -6.9307 1.11475 -6.93077 -52.0208 GPRESSAVG: 4097600 91.0836 -36.5265 4.63299 -35.4923 -30.4396 -6.48255 -1.60658 -9.56295 -52.6937 TIMING: 4097600 CPU: 12296.5, 0.00307842/step Wall: 12296.5, 0.00307842/step, 0.771657 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097600 749.6984 2149.9259 1927.9777 103.2374 -206935.2616 18182.9431 0.0000 0.0000 34506.0212 -149315.4579 301.3497 -183821.4791 -149216.0563 300.0384 202.3141 232.1006 557102.2406 2.6386 2.6501 PRESSURE: 4097800 194.139 -65.5044 -83.0024 -65.5057 120.822 183.701 -83.0031 183.702 274.18 GPRESSURE: 4097800 199.969 22.4118 -51.0375 -98.5585 160.609 219.462 -46.1393 126.818 326.752 PRESSAVG: 4097800 14.9077 -11.71 -38.2174 -11.7101 15.3857 78.7823 -38.2173 78.7822 -18.0746 GPRESSAVG: 4097800 15.9418 -12.3606 -40.0755 -11.7256 14.3077 78.7058 -38.2463 79.8845 -17.6856 TIMING: 4097800 CPU: 12297.2, 0.00308205/step Wall: 12297.2, 0.00308205/step, 0.772396 hours remaining, 207.050781 MB of memory in use. ENERGY: 4097800 729.8100 2063.5622 1924.3164 111.2904 -206618.8559 18138.9860 0.0000 0.0000 34403.7093 -149247.1817 300.4562 -183650.8910 -149149.5772 299.3786 196.3806 229.1100 556972.7093 4.0729 4.1880 PRESSURE: 4098000 -120.644 60.9476 -16.7817 60.9484 -283.659 -106.574 -16.7817 -106.573 -73.6989 GPRESSURE: 4098000 -87.0384 35.0256 -37.0985 103.337 -248.544 -130.416 16.7585 -55.2224 -40.2957 PRESSAVG: 4098000 40.0095 -25.8178 -17.6952 -25.8179 -3.39143 12.3228 -17.6952 12.3229 -21.6786 GPRESSAVG: 4098000 38.4231 -24.3595 -20.0964 -25.4639 -2.01741 12.6882 -14.9191 12.7044 -21.2532 TIMING: 4098000 CPU: 12297.8, 0.00302117/step Wall: 12297.8, 0.00302117/step, 0.756972 hours remaining, 207.050781 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: 4098000 747.0353 2087.7495 1939.7142 120.3595 -205791.1038 17483.3296 0.0000 0.0000 34330.0687 -149082.8469 299.8130 -183412.9156 -148988.3011 299.4908 -159.3340 -125.2928 558672.5241 4.9798 5.0508 PRESSURE: 4098200 55.9334 117.415 179.774 117.415 58.6969 -212.731 179.774 -212.73 -28.8438 GPRESSURE: 4098200 98.3957 137.132 144.419 103.886 107.38 -171.495 221.311 -219.125 -25.253 PRESSAVG: 4098200 -14.3156 -1.89958 13.3868 -1.89979 -48.3317 -34.3812 13.3868 -34.3812 38.1078 GPRESSAVG: 4098200 -14.2943 -1.47861 12.743 -2.59692 -49.059 -34.4724 12.6799 -35.13 38.6187 TIMING: 4098200 CPU: 12298.4, 0.0030568/step Wall: 12298.4, 0.0030568/step, 0.765727 hours remaining, 207.050781 MB of memory in use. ENERGY: 4098200 747.5424 2095.2321 1947.0243 95.5867 -206140.6304 17856.1689 0.0000 0.0000 34353.7944 -149045.2816 300.0202 -183399.0761 -148950.6747 299.0412 28.5955 60.1743 556808.8725 -8.1798 -8.2449 PRESSURE: 4098400 26.174 -109.419 132.739 -109.419 -48.9988 32.9685 132.739 32.9682 202.993 GPRESSURE: 4098400 127.911 -153.043 84.124 -39.6412 -33.5331 -22.214 136.516 43.0052 180.75 PRESSAVG: 4098400 -17.0023 -3.00376 47.276 -3.00373 -59.6353 -29.8759 47.276 -29.8757 36.531 GPRESSAVG: 4098400 -15.8442 -3.67768 49.7254 -2.09383 -60.076 -29.6769 45.2869 -32.9681 35.347 TIMING: 4098400 CPU: 12299, 0.00307501/step Wall: 12299, 0.00307501/step, 0.77012 hours remaining, 207.050781 MB of memory in use. ENERGY: 4098400 702.9077 2120.2381 1940.3154 119.2626 -206181.7034 17693.8730 0.0000 0.0000 34588.7401 -149016.3665 302.0721 -183605.1067 -148924.5275 300.0736 60.0560 91.7095 556762.4536 -13.3689 -13.5244 PRESSURE: 4098600 14.4976 96.1049 72.5389 96.1047 -156.787 -113.344 72.5388 -113.345 -408.5 GPRESSURE: 4098600 11.8504 126.539 117.582 130.175 -129.64 -119.245 17.8001 -134.977 -348.401 PRESSAVG: 4098600 19.336 17.7704 -41.6116 17.7702 -63.0289 4.62748 -41.6116 4.62754 4.40185 GPRESSAVG: 4098600 18.7247 18.7896 -41.27 17.3758 -62.3615 6.23403 -41.9766 7.55339 4.30646 TIMING: 4098600 CPU: 12299.6, 0.00305796/step Wall: 12299.6, 0.00305796/step, 0.765679 hours remaining, 207.050781 MB of memory in use. ENERGY: 4098600 763.7037 2119.7557 1962.2044 109.5735 -205738.4272 17483.5333 0.0000 0.0000 34391.5627 -148908.0938 300.3501 -183299.6565 -148820.6261 299.9614 -183.5963 -155.3969 556492.5507 -13.0970 -13.1101 PRESSURE: 4098800 -206.773 32.9709 -82.5839 32.9708 -23.4115 110.967 -82.5826 110.969 -115.582 GPRESSURE: 4098800 -178.908 52.6475 -64.7092 -38.6912 -9.18407 85.3919 -46.4825 199.81 -64.9916 PRESSAVG: 4098800 2.35348 -11.7388 9.79026 -11.7387 -64.9765 21.812 9.79024 21.8121 39.8756 GPRESSAVG: 4098800 2.36587 -12.7139 8.77746 -12.3465 -64.7636 20.715 11.5256 19.5349 39.2792 TIMING: 4098800 CPU: 12300.2, 0.00301667/step Wall: 12300.2, 0.00301667/step, 0.755173 hours remaining, 207.050781 MB of memory in use. ENERGY: 4098800 739.9011 2070.5892 1947.0893 117.1496 -205577.5028 17417.2043 0.0000 0.0000 34420.6862 -148864.8829 300.6044 -183285.5691 -148760.5798 300.8142 -115.2556 -84.3613 556524.1241 -7.5825 -7.7062 PRESSURE: 4099000 175.22 130.898 51.9693 130.898 -147.789 39.4514 51.9695 39.4504 9.67643 GPRESSURE: 4099000 159.081 34.4023 -59.0684 96.9518 -59.1048 75.2951 1.02618 22.05 44.2752 PRESSAVG: 4099000 -0.361933 -37.4371 15.1123 -37.437 -4.57183 2.56512 15.1122 2.56517 40.2309 GPRESSAVG: 4099000 -1.5306 -36.7507 15.3953 -37.1165 -4.45414 3.21963 12.466 3.22549 40.9806 TIMING: 4099000 CPU: 12300.8, 0.00300005/step Wall: 12300.8, 0.00300005/step, 0.750846 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099000 750.4326 2078.7248 1926.2614 112.3974 -206293.3383 17834.1066 0.0000 0.0000 34513.8430 -149077.5724 301.4180 -183591.4154 -148982.5699 300.6657 12.3690 48.0840 556768.7657 11.7657 11.6653 PRESSURE: 4099200 -113.11 150.798 135.792 150.798 227.346 -57.0471 135.793 -57.0477 -20.7017 GPRESSURE: 4099200 -50.1021 153.673 104.559 99.6256 224.014 -132.796 114.65 -67.4191 17.7285 PRESSAVG: 4099200 26.3983 27.8276 5.86604 27.8276 -14.8034 8.68686 5.86609 8.68681 -15.1208 GPRESSAVG: 4099200 28.1534 28.0748 5.85879 27.319 -16.5271 6.95695 7.58525 10.0721 -15.3713 TIMING: 4099200 CPU: 12301.4, 0.0030048/step Wall: 12301.4, 0.0030048/step, 0.751867 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099200 733.5008 2135.3410 1938.0727 126.0519 -206148.3594 17829.1988 0.0000 0.0000 34357.4132 -149028.7810 300.0518 -183386.1942 -148937.2451 300.2044 31.1781 63.8801 557012.5397 -1.1753 -1.2483 PRESSURE: 4099400 99.3392 -1.905 -127.127 -1.90484 121.861 -69.7613 -127.128 -69.7607 -395.551 GPRESSURE: 4099400 136.451 -33.1188 -140.598 20.1494 178.402 -137.047 13.9622 -80.2929 -398.497 PRESSAVG: 4099400 -25.7218 -5.35206 40.6882 -5.35197 23.7155 34.4713 40.6882 34.4714 -22.0434 GPRESSAVG: 4099400 -26.1261 -4.10969 40.5102 -5.94428 24.9075 34.4561 40.4827 35.5093 -22.142 TIMING: 4099400 CPU: 12302, 0.00303178/step Wall: 12302, 0.00303178/step, 0.758449 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099400 764.4748 2105.2348 1923.0769 121.7390 -205972.3924 17852.2564 0.0000 0.0000 34205.3335 -149000.2771 298.7237 -183205.6106 -148903.4991 299.7453 -58.1170 -27.8814 558274.4619 -8.0166 -7.7869 PRESSURE: 4099600 10.2578 -101.727 104.808 -101.727 -247.915 43.2078 104.807 43.2078 -56.4861 GPRESSURE: 4099600 42.4665 -45.1067 62.0979 -141.605 -232.373 29.2212 113.141 65.757 -14.3098 PRESSAVG: 4099600 -0.857129 -17.2262 14.7737 -17.2262 -10.1655 65.5476 14.7738 65.5476 48.1011 GPRESSAVG: 4099600 -0.184987 -19.4322 13.0572 -16.5925 -10.1272 67.5227 17.0262 64.2394 47.9816 TIMING: 4099600 CPU: 12302.6, 0.00304986/step Wall: 12302.6, 0.00304986/step, 0.762803 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099600 765.6473 2079.3576 1922.0847 120.3807 -206019.9285 17807.3038 0.0000 0.0000 34288.4758 -149036.6785 299.4498 -183325.1543 -148943.5635 299.8981 -98.0479 -68.0721 559107.7779 12.3595 12.5565 PRESSURE: 4099800 205.566 -89.533 150.37 -89.5326 -23.8136 -97.6911 150.37 -97.6932 96.7113 GPRESSURE: 4099800 269.063 -90.1249 191.495 -53.2006 29.6538 -165.952 15.6605 -59.2882 91.6913 PRESSAVG: 4099800 -2.01797 -9.95199 5.32826 -9.95198 -46.4287 -30.9433 5.32844 -30.9434 15.0606 GPRESSAVG: 4099800 -2.15969 -9.41083 8.16637 -6.69107 -46.8644 -31.5473 4.00525 -32.7313 15.5086 TIMING: 4099800 CPU: 12303.2, 0.0030551/step Wall: 12303.2, 0.0030551/step, 0.763945 hours remaining, 207.050781 MB of memory in use. ENERGY: 4099800 727.4549 2134.1737 1914.0924 125.0785 -206368.4976 18102.0286 0.0000 0.0000 34261.0050 -149104.6645 299.2099 -183365.6695 -149011.5919 299.9920 92.8211 130.1361 559007.5092 -11.1287 -11.1718 PRESSURE: 4100000 23.1865 -99.6437 -95.6829 -99.6432 38.8127 35.5199 -95.6829 35.5192 103.819 GPRESSURE: 4100000 34.9289 -111.171 -172.2 -118.341 62.9996 169.321 -26.4279 8.54329 162.609 PRESSAVG: 4100000 -1.41614 -50.8531 -14.9158 -50.8532 -55.7995 -45.2953 -14.9157 -45.2953 26.9777 GPRESSAVG: 4100000 -1.11697 -49.6028 -14.478 -54.419 -55.361 -46.3842 -17.1705 -44.8787 27.014 TIMING: 4100000 CPU: 12303.8, 0.00305291/step Wall: 12303.8, 0.00305291/step, 0.763229 hours remaining, 207.050781 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: 4100000 748.8502 2104.2493 1886.8030 110.6422 -206252.3164 17906.1555 0.0000 0.0000 34365.3019 -149130.3142 300.1207 -183495.6161 -149037.2739 299.0870 55.2727 86.8457 558428.6877 -10.0793 -9.8213 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4100000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4100000 WRITING COORDINATES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4100000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4100200 -75.0501 127.061 77.1308 127.061 -105.91 144.926 77.1305 144.927 275.886 GPRESSURE: 4100200 -44.8506 107.607 51.8052 79.5709 -62.9932 164.727 48.1527 214.175 292.958 PRESSAVG: 4100200 -10.7591 46.4006 17.6329 46.4006 12.2728 39.2877 17.6329 39.2875 11.1374 GPRESSAVG: 4100200 -9.82308 45.6759 15.2087 49.6756 11.5865 42.3351 19.1511 38.3926 10.6203 TIMING: 4100200 CPU: 12304.5, 0.00312932/step Wall: 12304.5, 0.00312932/step, 0.782155 hours remaining, 207.050781 MB of memory in use. ENERGY: 4100200 735.1929 2111.3344 1915.8159 110.8446 -206196.9374 17864.9640 0.0000 0.0000 34188.8248 -149269.9608 298.5795 -183458.7857 -149179.1754 299.3768 31.6420 61.7046 559519.3636 4.2170 4.1279 LDB: ============= START OF LOAD BALANCING ============== 12307.9 LDB: ============== END OF LOAD BALANCING =============== 12307.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12307.9 LDB: ============= START OF LOAD BALANCING ============== 12308.2 LDB: Largest compute 4820 load 0.025153 is 21.3% of average load 0.118086 LDB: Average compute 0.001722 is 1.5% of average load 0.118086 LDB: TIME 12308.2 LOAD: AVG 0.118086 MAX 0.220984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.562 MB LDB: TIME 12308.2 LOAD: AVG 0.118086 MAX 0.220984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.562 MB LDB: TIME 12308.2 LOAD: AVG 0.118086 MAX 0.220984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.562 MB LDB: ============== END OF LOAD BALANCING =============== 12308.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12308.2 PRESSURE: 4100400 -4.71218 97.4659 -132.738 97.4662 -238.83 4.37465 -132.739 4.37287 -84.6488 GPRESSURE: 4100400 -26.868 200.825 -128.151 116.714 -204.162 -17.4182 -55.3313 32.3824 2.06581 PRESSAVG: 4100400 1.91603 23.8463 52.4317 23.8464 -28.9067 9.66341 52.4318 9.66326 26.4927 GPRESSAVG: 4100400 1.85791 25.4675 52.4247 21.0426 -28.0394 8.23622 52.3922 11.6645 25.7281 TIMING: 4100400 CPU: 12305.1, 0.0031055/step Wall: 12305.1, 0.0031055/step, 0.776029 hours remaining, 209.105469 MB of memory in use. ENERGY: 4100400 760.3613 2030.9290 1936.0308 120.9462 -206152.4733 17695.3375 0.0000 0.0000 34459.0218 -149149.8467 300.9392 -183608.8685 -149046.0842 299.5250 -109.3969 -76.3213 558159.3806 -0.1660 -0.1511 PRESSURE: 4100600 165.076 121.393 101.311 121.394 -165.509 -22.8136 101.312 -22.8139 -138.325 GPRESSURE: 4100600 168.417 78.9391 20.5445 60.802 -100.887 49.8091 114.1 -72.678 -106.372 PRESSAVG: 4100600 20.8121 12.1921 -1.17463 12.1921 12.9226 -5.36159 -1.17466 -5.36174 -57.6776 GPRESSAVG: 4100600 20.1025 9.42311 -1.95314 10.8972 12.33 -7.00842 -0.0422557 -4.73345 -56.2789 TIMING: 4100600 CPU: 12305.7, 0.00308235/step Wall: 12305.7, 0.00308235/step, 0.770074 hours remaining, 209.308594 MB of memory in use. ENERGY: 4100600 717.2153 2063.8990 1937.9069 116.2866 -206027.4398 17732.8377 0.0000 0.0000 34275.9061 -149183.3882 299.3400 -183459.2944 -149084.8143 299.2680 -46.2528 -12.9473 557628.7540 -7.9810 -7.9488 PRESSURE: 4100800 109.601 -34.1014 119.798 -34.1011 -151.961 -20.2791 119.799 -20.2804 75.0385 GPRESSURE: 4100800 187.934 -78.7593 83.2932 -53.3946 -127.183 75.3694 124.31 -57.1377 78.5327 PRESSAVG: 4100800 33.8618 -16.8647 50.1431 -16.8647 -9.7837 43.8277 50.1432 43.8277 2.35155 GPRESSAVG: 4100800 34.2152 -14.3391 50.5225 -15.3576 -8.85132 44.3009 48.3338 43.8012 0.793939 TIMING: 4100800 CPU: 12306.3, 0.00306925/step Wall: 12306.3, 0.00306925/step, 0.766632 hours remaining, 209.308594 MB of memory in use. ENERGY: 4100800 725.1275 2066.6930 1930.1583 111.4148 -205792.5405 17706.9889 0.0000 0.0000 34169.8190 -149082.3391 298.4135 -183252.1580 -148989.1057 299.5256 10.8930 46.4277 558574.1991 8.8099 8.7193 PRESSURE: 4101000 109.437 109.988 160.346 109.987 -64.0458 -88.5809 160.345 -88.5816 56.878 GPRESSURE: 4101000 142.044 57.7176 87.9501 132.9 -55.0967 -66.5151 172.279 -80.3188 128.934 PRESSAVG: 4101000 85.0311 33.5675 -12.3721 33.5676 -49.6135 -8.32084 -12.3721 -8.32077 21.0324 GPRESSAVG: 4101000 84.2793 30.5252 -12.4046 36.3714 -50.1905 -5.46463 -12.7853 -11.5268 22.1507 TIMING: 4101000 CPU: 12306.9, 0.00305052/step Wall: 12306.9, 0.00305052/step, 0.761783 hours remaining, 209.308594 MB of memory in use. ENERGY: 4101000 729.9231 2050.7664 1937.0466 117.3290 -206004.1792 17792.3177 0.0000 0.0000 34548.7144 -148828.0821 301.7225 -183376.7965 -148736.2747 300.0014 34.0898 71.9604 557797.3629 18.8167 18.7465 PRESSURE: 4101200 62.6281 -182.762 -149.343 -182.762 -116.946 117.786 -149.344 117.784 -18.7495 GPRESSURE: 4101200 26.8657 -188.498 -118.679 -114.004 -65.6171 13.4946 -176.253 173.276 47.1071 PRESSAVG: 4101200 -41.7825 18.8537 -33.1346 18.8538 -44.3191 22.4554 -33.1347 22.4554 53.5116 GPRESSAVG: 4101200 -39.5776 18.864 -32.3624 18.0528 -44.7255 19.0849 -32.7523 25.8015 52.3037 TIMING: 4101200 CPU: 12307.5, 0.00306544/step Wall: 12307.5, 0.00306544/step, 0.765339 hours remaining, 209.308594 MB of memory in use. ENERGY: 4101200 750.9410 2049.4290 1939.8258 108.6606 -205756.0129 17652.7834 0.0000 0.0000 34440.6449 -148813.7282 300.7787 -183254.3732 -148722.3571 300.6976 -24.3559 2.7852 558775.3656 -10.8633 -10.6665 PRESSURE: 4101400 -188.372 -6.28536 -54.7987 -6.28387 210.461 -1.86717 -54.7998 -1.86722 76.4734 GPRESSURE: 4101400 -185.534 -6.84646 -39.5682 -1.11684 236.157 -39.2956 -36.0365 30.898 148.937 PRESSAVG: 4101400 -8.58343 32.3732 -32.2846 32.3732 -27.4461 -12.9246 -32.2847 -12.9247 -15.9488 GPRESSAVG: 4101400 -9.47298 35.6493 -32.5706 31.0406 -27.4895 -11.5298 -31.5031 -14.2256 -14.4843 TIMING: 4101400 CPU: 12308.2, 0.00307256/step Wall: 12308.2, 0.00307256/step, 0.766945 hours remaining, 209.308594 MB of memory in use. ENERGY: 4101400 726.4347 2061.6884 1955.5330 106.6139 -205959.9529 17861.6391 0.0000 0.0000 34300.7078 -148947.3359 299.5566 -183248.0437 -148851.0058 299.4239 32.8542 66.5200 557714.1350 -17.3261 -17.1489 PRESSURE: 4101600 -240.187 -6.4256 -36.9648 -6.42496 229.439 200.043 -36.9658 200.042 288.2 GPRESSURE: 4101600 -188.169 35.3038 -34.8834 31.6638 217.393 189.551 32.8836 214.052 349.073 PRESSAVG: 4101600 -3.92969 34.5895 7.55475 34.5896 68.0792 52.2454 7.55474 52.2455 -48.2849 GPRESSAVG: 4101600 -4.73138 35.5173 6.87427 33.0425 68.6631 50.4866 7.5973 54.1991 -47.8234 TIMING: 4101600 CPU: 12308.8, 0.00303712/step Wall: 12308.8, 0.00303712/step, 0.75793 hours remaining, 209.308594 MB of memory in use. ENERGY: 4101600 675.3879 2053.4535 1945.7362 122.7801 -206242.6923 17907.3257 0.0000 0.0000 34387.5673 -149150.4416 300.3152 -183538.0090 -149047.7357 299.0808 92.4841 126.0990 557755.5569 5.2882 5.3694 PRESSURE: 4101800 11.1995 17.1667 65.5425 17.167 -89.322 56.1208 65.5426 56.1215 181.522 GPRESSURE: 4101800 94.5517 28.9453 60.1823 -45.0325 -11.7481 27.5231 -34.6738 13.9681 130.141 PRESSAVG: 4101800 5.95459 2.36632 -87.0939 2.36632 -15.7372 -6.52536 -87.0939 -6.52539 -23.9848 GPRESSAVG: 4101800 6.08376 -0.390211 -86.6335 3.82301 -15.5144 -6.58731 -87.3048 -7.60111 -24.5595 TIMING: 4101800 CPU: 12309.4, 0.00304931/step Wall: 12309.4, 0.00304931/step, 0.760802 hours remaining, 209.308594 MB of memory in use. ENERGY: 4101800 716.2755 2079.2809 1931.3330 109.3781 -206046.5890 17812.3897 0.0000 0.0000 34330.6283 -149067.3036 299.8179 -183397.9319 -148980.1541 299.9041 34.4665 70.9815 557453.4067 -11.2558 -11.3300 PRESSURE: 4102000 -23.8846 113.442 -88.3019 113.443 121.715 293.226 -88.3031 293.228 -425.432 GPRESSURE: 4102000 -35.2268 48.6085 -121.466 76.4252 172.589 223.77 12.5237 312.206 -371.676 PRESSAVG: 4102000 45.6796 1.11783 -10.3159 1.11783 4.88147 39.2022 -10.3159 39.2021 -19.0821 GPRESSAVG: 4102000 46.12 1.39266 -9.3745 1.79569 4.17794 41.0566 -9.93187 38.2089 -19.2744 TIMING: 4102000 CPU: 12310, 0.00307251/step Wall: 12310, 0.00307251/step, 0.76642 hours remaining, 209.308594 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: 4102000 739.4543 2120.4949 1920.2880 114.1212 -206128.4438 17714.9000 0.0000 0.0000 34336.0074 -149183.1780 299.8649 -183519.1854 -149093.6289 299.0498 -109.2007 -78.1049 558608.5769 10.4930 10.3412 PRESSURE: 4102200 -137.364 125.215 61.9247 125.216 -63.5321 63.0053 61.9248 63.006 -25.134 GPRESSURE: 4102200 -72.8019 150.004 69.0556 105.551 -43.4939 64.9121 116.456 65.1863 -17.7435 PRESSAVG: 4102200 77.5175 37.4171 -26.3134 37.4171 -4.85721 58.7261 -26.3134 58.726 -60.0641 GPRESSAVG: 4102200 77.6996 33.9217 -27.7555 39.3156 -5.42025 57.0435 -27.0268 59.1045 -59.7397 TIMING: 4102200 CPU: 12310.6, 0.00305084/step Wall: 12310.6, 0.00305084/step, 0.760844 hours remaining, 209.308594 MB of memory in use. ENERGY: 4102200 726.2695 2069.8024 1924.4136 112.0030 -206120.9418 17697.4355 0.0000 0.0000 34260.2314 -149330.7865 299.2031 -183591.0178 -149227.7626 299.3134 -75.3433 -44.6798 556893.5350 4.1987 4.1799 PRESSURE: 4102400 -22.2082 72.7619 6.73508 72.7626 73.2264 46.9199 6.73396 46.9204 51.67 GPRESSURE: 4102400 -16.1884 62.6725 74.2896 -13.2646 101.503 -4.40288 52.7077 57.8386 108.074 PRESSAVG: 4102400 26.6671 -0.0411615 44.4889 -0.041152 -10.663 16.0185 44.489 16.0184 16.2819 GPRESSAVG: 4102400 25.9868 3.37267 45.1662 -2.50972 -10.3611 18.2495 43.0514 15.6852 16.0129 TIMING: 4102400 CPU: 12311.2, 0.00304615/step Wall: 12311.2, 0.00304615/step, 0.759508 hours remaining, 209.308594 MB of memory in use. ENERGY: 4102400 693.0527 2124.9095 1931.4022 126.3353 -206253.3590 17824.8665 0.0000 0.0000 34370.6883 -149182.1045 300.1678 -183552.7928 -149096.2113 298.6320 34.2294 64.4628 556890.9345 10.7620 10.5462 PRESSURE: 4102600 39.5413 29.4795 229.808 29.48 156.814 228.946 229.809 228.946 270.553 GPRESSURE: 4102600 84.1093 -25.2702 279.549 56.5837 111.743 181.2 210.891 195.686 358.771 PRESSAVG: 4102600 20.7663 21.347 -9.47274 21.347 -45.1903 91.2228 -9.47284 91.2228 -13.2777 GPRESSAVG: 4102600 20.5146 19.9454 -6.99413 21.7023 -46.0194 89.3309 -10.8798 91.4461 -12.4286 TIMING: 4102600 CPU: 12311.8, 0.00306889/step Wall: 12311.8, 0.00306889/step, 0.765006 hours remaining, 209.308594 MB of memory in use. ENERGY: 4102600 723.7812 2119.5224 1923.4174 112.5388 -206180.4793 18008.4568 0.0000 0.0000 34144.3941 -149148.3685 298.1915 -183292.7626 -149050.0745 298.4787 155.6362 184.8742 557328.4785 -12.5672 -12.6445 PRESSURE: 4102800 -198.612 124.555 21.6207 124.555 -17.4756 -85.3227 21.62 -85.3225 64.1043 GPRESSURE: 4102800 -147.957 88.6188 9.45773 125.469 31.3413 -171.328 56.2722 -78.9489 56.8986 PRESSAVG: 4102800 -0.865162 -13.9884 27.8276 -13.9885 14.0832 1.71129 27.8275 1.7112 65.1824 GPRESSAVG: 4102800 -0.859887 -13.1825 23.8643 -14.2107 15.2754 2.55607 31.0381 1.82289 63.9699 TIMING: 4102800 CPU: 12312.4, 0.00308126/step Wall: 12312.4, 0.00308126/step, 0.767918 hours remaining, 209.308594 MB of memory in use. ENERGY: 4102800 722.6700 2157.0237 1945.5786 115.0045 -205884.9578 17709.6115 0.0000 0.0000 34173.0989 -149061.9706 298.4422 -183235.0695 -148966.4855 299.7568 -50.6612 -19.9056 557674.6955 26.1335 26.1285 PRESSURE: 4103000 -13.4799 -97.6442 -58.9731 -97.6436 113.226 -24.5853 -58.9723 -24.5859 71.5252 GPRESSURE: 4103000 -0.71144 -66.9734 -12.6207 -97.2858 151.086 -34.1566 -76.2692 6.3572 117.901 PRESSAVG: 4103000 0.0798118 22.2784 -28.7866 22.2783 34.1956 20.0933 -28.7867 20.0934 -12.002 GPRESSAVG: 4103000 -0.0465407 22.1814 -27.5477 22.3557 33.6279 20.6561 -29.0529 20.1872 -11.4014 TIMING: 4103000 CPU: 12313.1, 0.00307912/step Wall: 12313.1, 0.00307912/step, 0.767214 hours remaining, 209.308594 MB of memory in use. ENERGY: 4103000 755.7321 2078.7091 1938.8396 106.8100 -206163.2276 17896.2133 0.0000 0.0000 34278.5228 -149108.4007 299.3629 -183386.9235 -149013.3825 299.6926 57.0903 89.4252 558486.4058 7.4245 7.3933 PRESSURE: 4103200 -44.4144 -1.44102 -189.151 -1.44082 108.262 -106.263 -189.151 -106.261 43.3236 GPRESSURE: 4103200 -42.0986 11.6742 -251.18 -72.7603 151.11 -29.96 -167.131 -138.302 93.5313 PRESSAVG: 4103200 28.4284 18.926 12.9522 18.9259 -7.31618 0.062621 12.9522 0.0627441 -9.77575 GPRESSAVG: 4103200 28.3368 20.0084 11.4066 18.2526 -6.52875 -0.68942 12.074 -0.963253 -11.0573 TIMING: 4103200 CPU: 12313.7, 0.00308516/step Wall: 12313.7, 0.00308516/step, 0.768547 hours remaining, 209.308594 MB of memory in use. ENERGY: 4103200 761.5139 2033.7888 1957.4329 115.4086 -205944.7181 17821.6953 0.0000 0.0000 34070.7554 -149184.1231 297.5484 -183254.8785 -149092.4281 299.5324 35.7236 67.5143 559353.1344 3.7788 3.5836 PRESSURE: 4103400 -64.189 -75.8951 -83.4889 -75.8953 -221.442 -102.102 -83.4905 -102.102 -24.0008 GPRESSURE: 4103400 -43.3138 -20.8113 -209.948 -147.32 -169.57 -122.237 -74.4636 -92.4835 -2.79239 PRESSAVG: 4103400 -35.23 26.232 -88.8224 26.2321 -20.8432 -14.776 -88.8223 -14.7759 12.297 GPRESSAVG: 4103400 -34.0238 24.4254 -88.8794 27.4678 -22.8516 -16.8956 -86.3875 -11.8749 13.0742 TIMING: 4103400 CPU: 12314.3, 0.00307567/step Wall: 12314.3, 0.00307567/step, 0.766014 hours remaining, 209.308594 MB of memory in use. ENERGY: 4103400 764.8126 2089.0177 1954.6916 109.1462 -206436.0216 18003.3617 0.0000 0.0000 34064.6497 -149450.3421 297.4951 -183514.9918 -149364.9178 298.9565 -103.2107 -71.8921 559835.9726 -14.5921 -14.6004 PRESSURE: 4103600 90.0783 56.9847 185.94 56.9845 -209.676 194.106 185.941 194.106 -154.191 GPRESSURE: 4103600 50.0954 48.4158 223.164 59.5082 -103.029 130.967 111.502 198.878 -124.582 PRESSAVG: 4103600 23.3179 28.7679 -8.29698 28.768 11.9197 6.98192 -8.29694 6.98189 -6.66624 GPRESSAVG: 4103600 22.1448 30.8538 -5.5765 27.45 12.5401 8.30957 -10.6276 5.12751 -6.58477 TIMING: 4103600 CPU: 12314.9, 0.00305273/step Wall: 12314.9, 0.00305273/step, 0.76013 hours remaining, 209.308594 MB of memory in use. ENERGY: 4103600 677.3883 2052.5444 1943.3612 113.8267 -206223.0184 17738.1744 0.0000 0.0000 34263.4900 -149434.2334 299.2316 -183697.7234 -149331.0116 298.1740 -91.2629 -59.1720 559511.9260 9.5238 9.3667 PRESSURE: 4103800 -54.7484 7.4223 245.068 7.42041 -216.754 -116.38 245.067 -116.38 -209.194 GPRESSURE: 4103800 -62.1881 21.4479 260.606 10.3541 -145.328 -100.055 304.423 -131.373 -186.957 PRESSAVG: 4103800 -41.3343 -34.3207 58.8571 -34.3206 10.9669 -10.0484 58.8571 -10.0485 33.9589 GPRESSAVG: 4103800 -41.4285 -36.1015 56.3339 -32.3278 11.1754 -9.32794 61.0618 -9.58362 33.5749 TIMING: 4103800 CPU: 12315.5, 0.00307082/step Wall: 12315.5, 0.00307082/step, 0.764463 hours remaining, 209.308594 MB of memory in use. ENERGY: 4103800 718.4393 2060.6704 1924.6397 114.4691 -206390.1816 17960.2104 0.0000 0.0000 34181.0687 -149430.6840 298.5118 -183611.7527 -149341.3715 297.7972 -160.2319 -131.4909 558972.0606 1.1972 1.1073 PRESSURE: 4104000 -173.374 103.857 -95.406 103.855 71.0098 23.7151 -95.4057 23.715 54.7623 GPRESSURE: 4104000 -114.359 67.1796 25.5611 130.696 86.2674 40.6928 -31.97 17.9379 67.5317 PRESSAVG: 4104000 -98.0607 69.5965 25.975 69.5965 76.1106 -37.643 25.975 -37.643 26.8867 GPRESSAVG: 4104000 -99.0519 68.6913 28.5705 69.0186 76.3576 -37.757 22.0365 -38.465 27.6547 TIMING: 4104000 CPU: 12316.1, 0.00304345/step Wall: 12316.1, 0.00304345/step, 0.757481 hours remaining, 209.308594 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: 4104000 760.2519 2054.3768 1933.8840 118.0497 -206404.2327 18060.1075 0.0000 0.0000 34105.6040 -149371.9589 297.8527 -183477.5628 -149280.5226 298.2960 -15.8671 13.1468 559572.8315 1.6455 1.6534 PRESSURE: 4104200 -156.439 -50.7403 -131.05 -50.7403 58.5697 43.7822 -131.05 43.7826 -92.018 GPRESSURE: 4104200 -145.019 -8.56409 -11.5857 -52.8114 125.895 97.8221 -137.166 43.4079 -62.9291 PRESSAVG: 4104200 -41.9538 -0.144484 43.584 -0.144415 18.799 -16.4752 43.5839 -16.4752 28.3019 GPRESSAVG: 4104200 -41.1874 0.423491 43.1628 1.99108 18.2575 -17.2475 46.9093 -16.0899 27.4212 TIMING: 4104200 CPU: 12316.7, 0.00306663/step Wall: 12316.7, 0.00306663/step, 0.763081 hours remaining, 209.308594 MB of memory in use. ENERGY: 4104200 769.1066 2088.0663 1933.3614 116.5434 -206513.3141 18084.5920 0.0000 0.0000 34065.7448 -149455.8994 297.5046 -183521.6442 -149361.7307 298.5450 -63.2959 -27.3512 558881.0275 1.7157 1.4971 LDB: ============= START OF LOAD BALANCING ============== 12320.2 LDB: ============== END OF LOAD BALANCING =============== 12320.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12320.2 LDB: ============= START OF LOAD BALANCING ============== 12320.5 LDB: Largest compute 4820 load 0.026828 is 22.7% of average load 0.118192 LDB: Average compute 0.001727 is 1.5% of average load 0.118192 LDB: TIME 12320.5 LOAD: AVG 0.118192 MAX 0.223242 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.754 MB LDB: TIME 12320.5 LOAD: AVG 0.118192 MAX 0.223242 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.754 MB LDB: TIME 12320.5 LOAD: AVG 0.118192 MAX 0.223242 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.754 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12320.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12320.5 PRESSURE: 4104400 -230.712 -176.71 -113.849 -176.71 -146.616 152.363 -113.848 152.363 29.7491 GPRESSURE: 4104400 -193.304 -196.652 -65.3309 -190.61 -131.668 133.391 -152.414 220.401 85.9038 PRESSAVG: 4104400 -67.9284 3.47165 -81.5132 3.47161 40.4089 45.0102 -81.5132 45.0103 64.1091 GPRESSAVG: 4104400 -68.6663 4.86931 -84.1393 1.80811 41.5441 45.459 -82.4868 46.184 64.0906 TIMING: 4104400 CPU: 12317.4, 0.00311996/step Wall: 12317.4, 0.00311996/step, 0.776177 hours remaining, 208.265625 MB of memory in use. ENERGY: 4104400 722.3345 2077.2519 1948.5929 123.1898 -206447.2878 17794.5788 0.0000 0.0000 33970.4736 -149810.8662 296.6726 -183781.3399 -149720.2530 297.9742 -115.8594 -79.6894 558019.4162 12.1965 12.3228 PRESSURE: 4104600 -268.691 186.429 -85.5822 186.43 -569.469 -39.5 -85.5823 -39.5007 -341.115 GPRESSURE: 4104600 -232.135 160.697 -86.2074 119.621 -557.158 -55.0075 -141.845 -35.9704 -295.907 PRESSAVG: 4104600 64.5924 -18.1328 -38.7332 -18.1329 -53.1457 11.2675 -38.7333 11.2675 6.94 GPRESSAVG: 4104600 64.9714 -18.3147 -36.8641 -18.3398 -53.3061 12.141 -39.5508 9.92222 6.84062 TIMING: 4104600 CPU: 12318, 0.00305487/step Wall: 12318, 0.00305487/step, 0.759815 hours remaining, 208.468750 MB of memory in use. ENERGY: 4104600 734.4682 2095.4503 1939.5417 128.7606 -205621.9273 17174.0204 0.0000 0.0000 33903.3907 -149646.2954 296.0867 -183549.6862 -149555.0975 298.2877 -393.0918 -361.7334 557704.5705 6.1289 6.1687 PRESSURE: 4104800 240.991 66.2501 53.8686 66.2504 17.4803 -250.974 53.8696 -250.973 -149.634 GPRESSURE: 4104800 217.269 24.9016 116.575 87.4717 74.386 -201.279 147.822 -281.039 -83.677 PRESSAVG: 4104800 -11.9341 7.32506 -12.2671 7.3251 2.68224 5.15843 -12.2672 5.15846 42.6281 GPRESSAVG: 4104800 -13.0115 8.09858 -12.9353 7.39101 2.85707 4.56715 -11.0754 4.83066 43.5843 TIMING: 4104800 CPU: 12318.6, 0.00303582/step Wall: 12318.6, 0.00303582/step, 0.754906 hours remaining, 208.468750 MB of memory in use. ENERGY: 4104800 735.6873 2060.2526 1941.9389 106.1147 -206769.9715 17970.1679 0.0000 0.0000 34477.6523 -149478.1579 301.1019 -183955.8102 -149377.6618 298.5043 36.2794 69.3261 556696.8968 11.1254 11.1433 PRESSURE: 4105000 138.308 -119.816 -15.1044 -119.817 -108.673 14.5705 -15.1045 14.5697 -16.3584 GPRESSURE: 4105000 180.071 -117.568 -10.4549 -187.337 -56.7946 -16.1087 -9.39218 -23.9031 -5.82776 PRESSAVG: 4105000 -6.82103 -72.6619 54.9494 -72.662 -27.1832 -8.17985 54.9494 -8.17984 31.4425 GPRESSAVG: 4105000 -4.70526 -71.3211 57.5196 -75.8133 -28.4076 -9.07257 54.5721 -7.60522 31.523 TIMING: 4105000 CPU: 12319.2, 0.00305489/step Wall: 12319.2, 0.00305489/step, 0.75948 hours remaining, 208.468750 MB of memory in use. ENERGY: 4105000 731.7959 2077.0599 1919.5425 125.3237 -206009.3490 17703.6217 0.0000 0.0000 34024.1156 -149427.8897 297.1411 -183452.0053 -149344.6219 298.4924 4.4257 39.1495 557592.2707 -0.8539 -0.5299 PRESSURE: 4105200 76.7196 -49.5283 -103.096 -49.5291 16.9608 -40.8957 -103.096 -40.8966 173.019 GPRESSURE: 4105200 131.374 2.48204 -33.955 -53.7364 37.3996 39.1279 -175.962 -122.494 179.613 PRESSAVG: 4105200 58.986 22.0025 -16.0611 22.0024 -6.54452 -33.497 -16.061 -33.4971 -19.4322 GPRESSAVG: 4105200 58.8627 20.6915 -18.3069 26.8667 -6.11156 -34.5412 -15.5238 -34.0359 -19.876 TIMING: 4105200 CPU: 12319.8, 0.00308235/step Wall: 12319.8, 0.00308235/step, 0.766136 hours remaining, 208.468750 MB of memory in use. ENERGY: 4105200 758.1701 2052.2185 1918.3104 95.6238 -206382.7633 17914.2714 0.0000 0.0000 34079.3706 -149564.7986 297.6236 -183644.1692 -149472.2986 297.2668 88.8998 116.1290 557307.1089 11.0031 10.9584 PRESSURE: 4105400 -119.085 21.6386 203.821 21.6383 -398.024 -6.79326 203.82 -6.79371 -207.065 GPRESSURE: 4105400 -64.068 32.5961 248.192 42.8175 -391.473 4.41794 128.576 -106.556 -163.519 PRESSAVG: 4105400 10.864 -5.13775 23.0082 -5.1377 -54.9211 26.4346 23.0082 26.4346 11.0356 GPRESSAVG: 4105400 9.75512 -4.43257 21.8548 -6.66036 -54.3922 27.5571 24.1912 27.406 11.7828 TIMING: 4105400 CPU: 12320.4, 0.00307668/step Wall: 12320.4, 0.00307668/step, 0.764556 hours remaining, 208.468750 MB of memory in use. ENERGY: 4105400 746.5072 2075.8041 1934.2930 122.3176 -205995.4272 17527.5374 0.0000 0.0000 34093.9912 -149494.9767 297.7513 -183588.9680 -149395.3178 297.7124 -241.3911 -206.3532 558616.8976 -11.0072 -10.9514 PRESSURE: 4105600 -104.644 74.924 -136.976 74.9237 -177.097 -120.059 -136.976 -120.059 27.2289 GPRESSURE: 4105600 -34.701 15.9829 -83.2891 180.253 -174.214 -72.9401 -169.398 -144.084 49.8172 PRESSAVG: 4105600 -34.917 -22.8366 27.9472 -22.8366 12.1231 -1.26755 27.9471 -1.26758 -3.32048 GPRESSAVG: 4105600 -34.4259 -22.9624 28.34 -22.7064 11.4642 -1.51639 27.3491 -1.11001 -2.40121 TIMING: 4105600 CPU: 12321, 0.00305834/step Wall: 12321, 0.00305834/step, 0.759827 hours remaining, 208.468750 MB of memory in use. ENERGY: 4105600 763.1836 2068.9536 1945.9593 104.7765 -206187.4731 17736.1597 0.0000 0.0000 34093.4826 -149474.9579 297.7469 -183568.4405 -149381.8826 298.6863 -84.8375 -53.0327 558731.9710 -8.7048 -8.4543 PRESSURE: 4105800 78.5004 59.908 2.37082 59.9089 -41.8831 103.276 2.37101 103.277 159.467 GPRESSURE: 4105800 97.9509 47.1902 69.7261 36.3187 -33.8537 43.1231 17.2746 160.277 221.117 PRESSAVG: 4105800 -1.08575 11.0716 0.46615 11.0716 -40.9474 -12.818 0.466062 -12.8179 30.0392 GPRESSAVG: 4105800 -1.23624 11.3515 0.727559 10.6731 -39.6052 -14.9581 0.467303 -12.7493 28.4718 TIMING: 4105800 CPU: 12321.6, 0.00305752/step Wall: 12321.6, 0.00305752/step, 0.759453 hours remaining, 208.468750 MB of memory in use. ENERGY: 4105800 733.0891 2080.6292 1961.0904 117.8690 -206394.7258 17913.8649 0.0000 0.0000 34137.5282 -149450.6551 298.1315 -183588.1833 -149361.1823 298.7057 65.3614 95.0714 558476.8957 -3.9980 -4.1232 PRESSURE: 4106000 181.017 -3.9116 104.833 -3.91179 184.278 56.5028 104.832 56.5016 175.015 GPRESSURE: 4106000 284.372 -38.6633 105.925 -3.68489 180.014 66.089 55.4865 63.0225 181.331 PRESSAVG: 4106000 39.3726 0.192071 71.0659 0.192218 -8.96593 9.81392 71.0658 9.81397 20.1706 GPRESSAVG: 4106000 39.3202 -0.938455 71.8672 1.27597 -10.491 12.9432 70.467 7.01351 21.4933 TIMING: 4106000 CPU: 12322.3, 0.0030717/step Wall: 12322.3, 0.0030717/step, 0.762806 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: 4106000 750.5826 2055.7750 1916.9577 116.2062 -207114.6876 18314.0154 0.0000 0.0000 34392.8771 -149568.2735 300.3616 -183961.1507 -149467.1191 298.1529 180.1030 215.2390 557929.3158 16.8591 16.7742 PRESSURE: 4106200 -36.5239 47.4606 90.4615 47.4588 -54.3183 7.79228 90.462 7.79184 -131.416 GPRESSURE: 4106200 47.035 -41.6782 111.911 107.901 -43.0883 10.0876 45.6484 -16.4373 -139.122 PRESSAVG: 4106200 -17.2724 -12.3351 48.7225 -12.3351 -12.6568 0.584921 48.7225 0.584944 14.4179 GPRESSAVG: 4106200 -17.1477 -12.0521 47.8261 -12.9578 -11.2255 -2.74868 49.8782 4.75906 13.765 TIMING: 4106200 CPU: 12322.9, 0.00307779/step Wall: 12322.9, 0.00307779/step, 0.764146 hours remaining, 208.468750 MB of memory in use. ENERGY: 4106200 770.9282 2155.9316 1918.7824 118.0615 -206439.4331 17875.4966 0.0000 0.0000 34027.9682 -149572.2645 297.1747 -183600.2327 -149481.3804 298.0170 -74.0861 -45.0585 559052.1143 -5.1704 -4.8694 PRESSURE: 4106400 120.145 154.076 8.39703 154.076 122.668 -65.4315 8.39788 -65.4322 -303.216 GPRESSURE: 4106400 107.895 141.45 29.6208 125.966 169.213 6.50413 -94.2471 -76.9627 -241.369 PRESSAVG: 4106400 71.4767 -78.1981 79.4298 -78.198 5.62231 -43.1994 79.4299 -43.1994 -48.1231 GPRESSAVG: 4106400 71.4325 -78.458 79.3435 -77.0615 5.64534 -41.5857 77.0025 -44.3543 -47.9796 TIMING: 4106400 CPU: 12323.5, 0.00311879/step Wall: 12323.5, 0.00311879/step, 0.774152 hours remaining, 208.468750 MB of memory in use. ENERGY: 4106400 744.3599 2117.4462 1959.6027 116.0959 -206474.4570 17898.5526 0.0000 0.0000 34140.1119 -149498.2876 298.1541 -183638.3995 -149410.5424 298.4777 -20.1343 11.9128 558750.1071 9.6587 9.6994 PRESSURE: 4106600 156.463 -175.333 146.336 -175.335 193.695 85.0413 146.336 85.0401 -28.9731 GPRESSURE: 4106600 213.759 -65.3716 72.848 -199.483 193.752 159.036 146.518 72.3665 17.0524 PRESSAVG: 4106600 28.843 -31.1725 80.5504 -31.1725 12.074 -72.4908 80.5505 -72.4908 -52.6715 GPRESSAVG: 4106600 30.2994 -30.0082 82.1339 -34.5826 10.7548 -71.835 81.1895 -72.6133 -52.5992 TIMING: 4106600 CPU: 12324.1, 0.00309429/step Wall: 12324.1, 0.00309429/step, 0.7679 hours remaining, 208.468750 MB of memory in use. ENERGY: 4106600 739.3126 2148.0273 1948.9505 115.9004 -206366.4131 18007.7701 0.0000 0.0000 34016.2141 -149390.2380 297.0721 -183406.4522 -149295.2650 298.7993 107.0618 141.5210 558259.6575 -3.9182 -3.8483 PRESSURE: 4106800 25.564 74.9202 138.945 74.9204 -48.5598 -52.2042 138.943 -52.2033 -95.8973 GPRESSURE: 4106800 126.329 69.1344 178.71 105.119 -97.856 9.77907 174.798 13.0909 -52.2594 PRESSAVG: 4106800 -65.0317 -5.2387 2.78115 -5.23878 69.6518 -31.4232 2.78115 -31.4232 2.95853 GPRESSAVG: 4106800 -66.0786 -6.55862 2.54675 -2.09353 70.0572 -30.8324 2.66834 -32.2355 3.83468 TIMING: 4106800 CPU: 12324.7, 0.00307388/step Wall: 12324.7, 0.00307388/step, 0.762664 hours remaining, 208.468750 MB of memory in use. ENERGY: 4106800 746.6525 2124.5374 1938.5831 111.9835 -206546.6592 17886.2531 0.0000 0.0000 34167.3534 -149571.2961 298.3920 -183738.6496 -149480.0468 298.9607 -39.6310 -7.9287 557098.8575 2.5262 2.6044 PRESSURE: 4107000 -289.449 12.9798 92.613 12.9809 -61.029 -208.818 92.6131 -208.819 -234.958 GPRESSURE: 4107000 -233.313 -46.1801 41.7772 47.8541 -14.4779 -199.978 54.4285 -210.434 -234.462 PRESSAVG: 4107000 117.92 -8.4502 40.5702 -8.45018 -87.5805 -41.6409 40.5702 -41.6408 -10.2302 GPRESSAVG: 4107000 118.267 -7.57924 40.0689 -10.6028 -87.4907 -41.0089 40.516 -41.8131 -10.9544 TIMING: 4107000 CPU: 12325.3, 0.00307757/step Wall: 12325.3, 0.00307757/step, 0.763408 hours remaining, 208.468750 MB of memory in use. ENERGY: 4107000 750.5760 2118.1028 1926.3280 111.5559 -206256.3488 17602.7089 0.0000 0.0000 34259.3707 -149487.7065 299.1956 -183747.0772 -149387.5027 298.5356 -195.1453 -160.7512 556751.6445 6.7029 6.6074 PRESSURE: 4107200 -325.443 -16.3242 111.442 -16.323 -94.2633 13.7721 111.441 13.7733 -151.977 GPRESSURE: 4107200 -248.27 -18.1401 193.945 4.47404 -128.261 40.1583 12.4924 -2.2248 -81.0378 PRESSAVG: 4107200 31.0859 40.5061 23.1802 40.5061 19.5107 1.09196 23.1802 1.09207 -26.3982 GPRESSAVG: 4107200 30.3807 41.022 21.1137 41.7601 20.0155 -0.34443 25.0826 1.85559 -26.0381 TIMING: 4107200 CPU: 12326, 0.00308452/step Wall: 12326, 0.00308451/step, 0.76496 hours remaining, 208.468750 MB of memory in use. ENERGY: 4107200 771.7998 2081.0502 1912.4168 115.0775 -206071.5314 17510.8550 0.0000 0.0000 33995.1581 -149685.1740 296.8882 -183680.3321 -149589.4422 298.3347 -190.5613 -152.5230 557597.5582 8.0661 8.1194 PRESSURE: 4107400 -78.6948 -121.248 -9.67468 -121.248 217.548 96.6138 -9.67418 96.6161 -79.8931 GPRESSURE: 4107400 28.4754 -41.8058 13.5807 -156.106 207.65 152.773 -16.5975 58.4454 -77.1997 PRESSAVG: 4107400 4.75189 11.5324 -44.5595 11.5324 -27.4655 50.2587 -44.5596 50.2588 27.7648 GPRESSAVG: 4107400 3.17156 12.0908 -43.6215 13.1299 -26.0598 49.9793 -45.2671 50.0265 27.4953 TIMING: 4107400 CPU: 12326.6, 0.00305332/step Wall: 12326.6, 0.00305332/step, 0.757054 hours remaining, 208.468750 MB of memory in use. ENERGY: 4107400 742.5185 2092.2316 1917.3434 110.8613 -206309.8059 17893.6921 0.0000 0.0000 34037.3675 -149515.7916 297.2568 -183553.1590 -149417.2459 297.9753 19.6533 52.9754 558317.4949 1.6837 1.5357 PRESSURE: 4107600 133.674 -0.757496 22.3811 -0.757565 -92.1911 31.3579 22.3801 31.3596 -344.118 GPRESSURE: 4107600 92.7783 -64.4968 79.0748 44.2204 12.2823 7.81628 -37.5175 81.5717 -307.618 PRESSAVG: 4107600 -18.7802 53.5548 -52.218 53.5549 37.9431 -10.5642 -52.2181 -10.5641 -13.2588 GPRESSAVG: 4107600 -17.3927 53.8205 -52.2297 52.4248 36.9084 -10.2215 -50.6661 -9.15495 -13.2903 TIMING: 4107600 CPU: 12327.2, 0.00307594/step Wall: 12327.2, 0.00307594/step, 0.762492 hours remaining, 208.468750 MB of memory in use. ENERGY: 4107600 732.4147 2094.1202 1931.4922 120.8929 -206494.9691 17709.2223 0.0000 0.0000 34593.9915 -149312.8352 302.1179 -183906.8267 -149213.9258 299.4238 -100.8784 -67.5191 557546.1247 1.9680 2.0751 PRESSURE: 4107800 -4.95431 202.842 -195.619 202.843 34.2213 174.723 -195.619 174.723 56.2256 GPRESSURE: 4107800 -21.0666 228.252 -207.508 169.11 88.6188 206.999 -184.763 108.229 117.471 PRESSAVG: 4107800 13.1165 18.5012 -23.4587 18.5012 59.5344 31.5392 -23.4587 31.5392 -98.7778 GPRESSAVG: 4107800 12.4952 18.8321 -23.1042 17.3995 60.0806 32.527 -24.6669 29.1435 -98.4637 TIMING: 4107800 CPU: 12327.8, 0.00308499/step Wall: 12327.8, 0.00308499/step, 0.764563 hours remaining, 208.468750 MB of memory in use. ENERGY: 4107800 731.7814 2144.3577 1888.9686 111.7226 -205928.0279 17773.4974 0.0000 0.0000 33972.3786 -149305.3217 296.6892 -183277.7002 -149216.9109 299.0940 28.4975 61.6744 557467.5655 -8.7090 -8.6293 PRESSURE: 4108000 -161.441 124.71 16.3245 124.711 -265.282 -56.6394 16.323 -56.639 -304.798 GPRESSURE: 4108000 -155.679 160.663 2.42873 15.7457 -214.464 -99.1616 62.609 0.0658513 -239.839 PRESSAVG: 4108000 24.3188 60.2555 -8.44226 60.2556 -16.9902 -22.0647 -8.44231 -22.0647 37.039 GPRESSAVG: 4108000 25.1585 59.1392 -7.74218 59.4538 -18.7757 -23.3665 -9.13908 -21.6248 37.9325 TIMING: 4108000 CPU: 12328.4, 0.00304256/step Wall: 12328.4, 0.00304256/step, 0.75388 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: 4108000 764.3284 2086.8009 1929.4244 100.9188 -205864.9135 17593.5419 0.0000 0.0000 34215.8333 -149174.0659 298.8154 -183389.8993 -149078.3126 299.1025 -243.8404 -203.3273 559221.1138 14.7892 14.7718 PRESSURE: 4108200 -397.361 146.036 -124.549 146.035 215.904 -18.5502 -124.548 -18.5475 -71.5619 GPRESSURE: 4108200 -348.431 211.542 -21.5605 138.366 238.176 -11.1926 -202.911 28.9859 -38.0509 PRESSAVG: 4108200 12.5521 15.9665 8.39005 15.9664 29.1674 -68.0835 8.3901 -68.0835 -44.8041 GPRESSAVG: 4108200 12.8137 14.9252 7.03418 17.754 28.5947 -67.7902 8.50134 -68.6846 -44.9746 TIMING: 4108200 CPU: 12329, 0.00307517/step Wall: 12329, 0.00307517/step, 0.761788 hours remaining, 208.468750 MB of memory in use. ENERGY: 4108200 750.1907 2078.3263 1921.0883 107.6335 -206265.3248 17774.2487 0.0000 0.0000 34184.7024 -149449.1350 298.5435 -183633.8373 -149356.2728 298.8562 -84.3397 -49.4354 558156.2789 -1.0282 -1.1887 LDB: ============= START OF LOAD BALANCING ============== 12332.5 LDB: ============== END OF LOAD BALANCING =============== 12332.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12332.5 LDB: ============= START OF LOAD BALANCING ============== 12332.8 LDB: Largest compute 4820 load 0.024216 is 20.5% of average load 0.118162 LDB: Average compute 0.001722 is 1.5% of average load 0.118162 LDB: TIME 12332.8 LOAD: AVG 0.118162 MAX 0.220373 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.438 MB LDB: TIME 12332.8 LOAD: AVG 0.118162 MAX 0.220373 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.441 MB LDB: TIME 12332.8 LOAD: AVG 0.118162 MAX 0.220373 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.441 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12332.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12332.8 PRESSURE: 4108400 -233.2 4.89548 88.5274 4.89535 -288.651 -1.14634 88.5277 -1.14733 -63.6578 GPRESSURE: 4108400 -152.205 29.354 152.371 -100.622 -265.383 28.1853 26.3861 13.3519 -73.2797 PRESSAVG: 4108400 -6.70715 -7.35726 -45.1738 -7.35732 56.0478 9.08105 -45.1737 9.08105 -34.7835 GPRESSAVG: 4108400 -7.32889 -7.87329 -43.2485 -7.74937 57.4114 9.99577 -46.2612 9.45494 -35.3988 TIMING: 4108400 CPU: 12329.7, 0.00313154/step Wall: 12329.7, 0.00313154/step, 0.775577 hours remaining, 208.410156 MB of memory in use. ENERGY: 4108400 726.2168 2110.7240 1936.8750 106.7992 -205938.4144 17409.7423 0.0000 0.0000 34004.2906 -149643.7664 296.9679 -183648.0570 -149552.6155 298.5192 -195.1697 -163.6228 558755.0183 4.8524 4.8946 PRESSURE: 4108600 -348.126 20.5751 145.001 20.5751 -58.9028 219.191 145.002 219.19 -52.5899 GPRESSURE: 4108600 -308.474 10.2063 129.719 65.1254 11.7613 200.056 130.015 311.013 -56.0354 PRESSAVG: 4108600 -32.5065 46.0486 -24.1367 46.0486 16.6622 12.6335 -24.1367 12.6335 57.3986 GPRESSAVG: 4108600 -30.9641 48.9766 -26.6779 46.1212 16.2082 11.6292 -19.8653 13.7989 56.6354 TIMING: 4108600 CPU: 12330.3, 0.00306894/step Wall: 12330.3, 0.00306894/step, 0.759904 hours remaining, 208.613281 MB of memory in use. ENERGY: 4108600 760.8627 2083.0409 1941.0360 104.3550 -206228.1969 17639.4486 0.0000 0.0000 34077.8750 -149621.5787 297.6106 -183699.4537 -149526.6218 298.1060 -153.2063 -117.5828 557932.7509 13.8514 13.9598 PRESSURE: 4108800 -163.629 -21.4194 -134.221 -21.4204 -68.3457 90.7947 -134.221 90.7946 46.6878 GPRESSURE: 4108800 -65.83 -55.0923 -71.3259 -22.0323 -64.0727 41.0561 -81.4702 70.7592 43.7911 PRESSAVG: 4108800 1.67117 -38.7281 28.6408 -38.7282 29.4681 34.9664 28.6408 34.9663 -50.15 GPRESSAVG: 4108800 -0.196903 -38.8516 29.2698 -40.1211 29.8748 35.5158 27.791 33.7795 -48.5387 TIMING: 4108800 CPU: 12330.9, 0.00305449/step Wall: 12330.9, 0.00305449/step, 0.756156 hours remaining, 208.613281 MB of memory in use. ENERGY: 4108800 762.8407 2100.1552 1961.2342 108.3724 -206477.8601 17955.1438 0.0000 0.0000 34004.7880 -149585.3258 296.9723 -183590.1138 -149497.3161 298.4609 -61.7622 -28.7039 558401.1547 -6.3369 -6.2870 PRESSURE: 4109000 -41.0167 -97.9028 -52.2007 -97.9017 -42.2527 -80.529 -52.2008 -80.529 -38.0296 GPRESSURE: 4109000 4.13494 -95.215 9.5613 -59.9308 5.55508 15.749 -76.7266 -86.9749 -37.6797 PRESSAVG: 4109000 -28.0686 -22.1259 -29.3235 -22.1259 -15.3341 -8.54452 -29.3236 -8.54457 -22.1341 GPRESSAVG: 4109000 -27.0326 -22.9713 -26.5137 -21.3588 -15.4329 -7.55576 -30.796 -8.8077 -23.0608 TIMING: 4109000 CPU: 12331.5, 0.00305054/step Wall: 12331.5, 0.00305054/step, 0.755008 hours remaining, 208.613281 MB of memory in use. ENERGY: 4109000 787.5707 2144.3178 1919.2157 124.1114 -206402.4800 17867.5852 0.0000 0.0000 34140.1260 -149419.5532 298.1542 -183559.6792 -149323.6473 298.8198 -40.4330 -9.3299 558208.3994 -21.8456 -21.8421 PRESSURE: 4109200 11.857 -22.7422 -2.94249 -22.7413 -158.323 84.8257 -2.94235 84.8274 -155.185 GPRESSURE: 4109200 7.76764 -21.2399 87.4305 -74.3165 -124.953 38.5338 -70.2518 103.63 -88.6782 PRESSAVG: 4109200 -1.02731 -34.8392 -0.637813 -34.8391 6.36661 41.2402 -0.637908 41.2402 -34.6017 GPRESSAVG: 4109200 -0.667812 -35.2939 -3.06925 -33.3563 5.30287 37.8612 0.681737 43.9066 -33.107 TIMING: 4109200 CPU: 12332.1, 0.00306592/step Wall: 12332.1, 0.00306592/step, 0.758645 hours remaining, 208.613281 MB of memory in use. ENERGY: 4109200 776.1845 2125.7000 1957.8961 117.5416 -206252.3314 17651.7854 0.0000 0.0000 34134.1205 -149489.1033 298.1018 -183623.2238 -149394.0842 298.8352 -100.5502 -68.6212 557684.2523 -9.7541 -9.4906 PRESSURE: 4109400 236.148 2.06216 -147.819 2.06117 -234.157 -98.9378 -147.819 -98.9373 -125.493 GPRESSURE: 4109400 300.967 -21.9686 -168.119 39.5408 -203.721 -82.2117 -153.915 -67.2958 -135.125 PRESSAVG: 4109400 98.0172 -2.19219 -17.8129 -2.19225 -21.1532 47.8588 -17.8129 47.8589 -60.2684 GPRESSAVG: 4109400 97.6906 -2.30637 -19.4775 -3.7014 -19.2832 49.907 -18.1637 45.9471 -61.6747 TIMING: 4109400 CPU: 12332.7, 0.0030587/step Wall: 12332.7, 0.0030587/step, 0.756689 hours remaining, 208.613281 MB of memory in use. ENERGY: 4109400 745.1416 2125.0213 1895.5798 102.9181 -206669.7003 17827.1677 0.0000 0.0000 34391.9054 -149581.9664 300.3531 -183973.8718 -149496.9206 298.6357 -41.1674 -12.6264 556884.3587 5.5319 5.5776 PRESSURE: 4109600 -29.4643 37.0882 13.5874 37.0883 -32.4722 -79.9167 13.588 -79.9179 0.448677 GPRESSURE: 4109600 28.6098 91.8616 52.7414 45.7055 -33.5298 -114.03 -78.2885 -57.0967 34.486 PRESSAVG: 4109600 19.8682 -0.666374 -10.1017 -0.666399 4.71035 -24.6051 -10.1017 -24.605 -58.5144 GPRESSAVG: 4109600 19.1366 1.82462 -8.07208 -1.62278 4.97701 -25.8916 -10.153 -22.2418 -57.9527 TIMING: 4109600 CPU: 12333.3, 0.00306107/step Wall: 12333.3, 0.00306107/step, 0.757104 hours remaining, 208.613281 MB of memory in use. ENERGY: 4109600 726.7315 2080.9273 1904.6949 114.6822 -206586.8463 17889.3641 0.0000 0.0000 34098.7054 -149771.7409 297.7925 -183870.4462 -149678.0269 298.4338 -20.4960 9.8553 557522.5692 -11.3120 -11.2797 PRESSURE: 4109800 -129.17 119.694 126.521 119.693 147.026 26.9452 126.519 26.9457 -143.587 GPRESSURE: 4109800 -106.63 75.0904 166.004 121.21 229.543 26.039 95.7306 92.5478 -156.309 PRESSAVG: 4109800 35.3428 16.9261 -4.253 16.9262 45.819 20.478 -4.25309 20.4781 -121.89 GPRESSAVG: 4109800 37.1214 14.0874 -2.98513 20.3655 43.3568 21.6205 -6.28182 18.8499 -121.614 TIMING: 4109800 CPU: 12333.9, 0.00307343/step Wall: 12333.9, 0.00307343/step, 0.759991 hours remaining, 208.613281 MB of memory in use. ENERGY: 4109800 740.5757 2093.3595 1944.8982 132.4232 -206549.2537 17985.0675 0.0000 0.0000 33870.7080 -149782.2216 295.8013 -183652.9296 -149685.9903 297.3103 -41.9104 -11.1320 557888.0512 -13.5762 -13.7120 PRESSURE: 4110000 -93.8535 -17.6381 34.665 -17.6382 -126.857 39.1032 34.666 39.1041 -302.624 GPRESSURE: 4110000 -22.642 1.94867 74.2383 -79.7438 -87.7752 12.2175 32.085 13.6498 -326.933 PRESSAVG: 4110000 -31.2266 -12.3927 -46.4001 -12.3927 44.7667 11.2837 -46.4001 11.2835 -24.3332 GPRESSAVG: 4110000 -32.2293 -12.3289 -48.2159 -13.9226 45.5821 12.2523 -44.543 11.3905 -24.1073 TIMING: 4110000 CPU: 12334.6, 0.00307568/step Wall: 12334.6, 0.00307568/step, 0.760377 hours remaining, 208.613281 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: 4110000 712.4075 2071.5306 1947.4458 116.1581 -205953.5754 17429.2600 0.0000 0.0000 34054.5535 -149622.2200 297.4069 -183676.7735 -149521.7627 297.5242 -174.4447 -145.7833 557262.8742 -3.5977 -3.5848 PRESSURE: 4110200 -75.428 141.642 76.1246 141.642 58.2226 58.765 76.125 58.7659 -91.1959 GPRESSURE: 4110200 -83.8345 209.321 -7.91911 74.0901 63.4598 38.458 86.3347 95.3563 6.18779 PRESSAVG: 4110200 -9.49504 24.6166 33.7627 24.6167 -2.24009 26.4694 33.7627 26.4693 -18.5425 GPRESSAVG: 4110200 -8.50308 24.0857 34.9775 25.1057 -2.96666 24.0974 33.1842 25.5256 -18.6643 TIMING: 4110200 CPU: 12335.2, 0.00304495/step Wall: 12335.2, 0.00304495/step, 0.75261 hours remaining, 208.613281 MB of memory in use. ENERGY: 4110200 749.0850 2127.5217 1919.8548 118.6905 -206328.2472 17874.3441 0.0000 0.0000 34060.2050 -149478.5461 297.4562 -183538.7511 -149384.5764 297.6581 -36.1338 -4.7290 557063.5165 -10.0926 -10.0447 PRESSURE: 4110400 76.4032 -160.562 -73.9659 -160.561 -135.438 92.9756 -73.967 92.9768 57.8313 GPRESSURE: 4110400 97.9152 -108.98 -62.5072 -192.786 -57.5542 92.7932 -77.9925 108.615 67.7851 PRESSAVG: 4110400 2.06212 25.0353 27.5618 25.0354 12.3424 63.8143 27.562 63.8142 -5.53435 GPRESSAVG: 4110400 1.97911 24.4648 27.4477 27.9559 12.5902 64.241 27.1772 66.6757 -5.91484 TIMING: 4110400 CPU: 12335.8, 0.00306371/step Wall: 12335.8, 0.00306371/step, 0.757076 hours remaining, 208.613281 MB of memory in use. ENERGY: 4110400 750.3016 2154.2542 1929.6369 125.1381 -206217.5742 17623.5613 0.0000 0.0000 34117.0819 -149517.6002 297.9530 -183634.6821 -149422.0346 298.3540 -0.4012 36.0487 556266.3165 2.9567 2.8848 PRESSURE: 4110600 -43.7586 13.7844 -231.278 13.7845 -323.329 -26.5454 -231.279 -26.5455 -165.812 GPRESSURE: 4110600 -12.4825 17.1854 -296.732 20.0094 -223.089 35.9586 -198.351 -86.5048 -185.63 PRESSAVG: 4110600 25.6596 8.58766 11.9536 8.5877 19.3825 14.8896 11.9536 14.8895 -106.751 GPRESSAVG: 4110600 24.7066 11.2595 11.4523 4.64369 19.8531 14.5994 12.2056 14.1643 -106.142 TIMING: 4110600 CPU: 12336.4, 0.00304913/step Wall: 12336.4, 0.00304913/step, 0.753304 hours remaining, 208.613281 MB of memory in use. ENERGY: 4110600 739.7438 2066.9330 1914.9349 105.0963 -206157.5426 17607.1391 0.0000 0.0000 34112.8453 -149610.8502 297.9160 -183723.6956 -149515.0447 298.4805 -177.6333 -140.4004 557928.9752 -20.5698 -20.5276 PRESSURE: 4110800 -222.21 -219.049 -153.513 -219.049 127.32 -11.2833 -153.513 -11.2857 -354.204 GPRESSURE: 4110800 -167.247 -252.375 -225.968 -156.183 139.055 -30.2914 -85.0354 -11.7457 -319.905 PRESSAVG: 4110800 80.5037 -3.933 -33.0182 -3.93303 -39.8528 -46.8467 -33.0181 -46.8468 -50.5554 GPRESSAVG: 4110800 81.2224 -6.62873 -34.031 -2.89981 -39.9568 -45.1882 -32.5873 -48.0845 -50.9501 TIMING: 4110800 CPU: 12337, 0.00304034/step Wall: 12337, 0.00304034/step, 0.750964 hours remaining, 208.613281 MB of memory in use. ENERGY: 4110800 763.9129 2111.2925 1941.9857 102.3729 -206326.1085 17613.2897 0.0000 0.0000 34162.1858 -149631.0690 298.3469 -183793.2547 -149537.1915 297.8242 -149.6978 -116.0325 557020.0173 -3.3015 -3.2281 PRESSURE: 4111000 181.167 -71.3993 -55.0226 -71.4008 -46.7451 -49.092 -55.023 -49.0916 -171.552 GPRESSURE: 4111000 145.005 -58.3567 -109.833 -71.6039 46.6488 -76.7158 -52.4537 -43.6616 -127.047 PRESSAVG: 4111000 54.241 -19.4328 -54.4032 -19.4327 13.3039 24.6071 -54.4032 24.607 -74.0187 GPRESSAVG: 4111000 53.1814 -15.2002 -55.0024 -20.3216 14.2615 23.6836 -52.063 23.27 -73.5901 TIMING: 4111000 CPU: 12337.6, 0.00303678/step Wall: 12337.6, 0.00303678/step, 0.749916 hours remaining, 208.613281 MB of memory in use. ENERGY: 4111000 715.3821 2026.2379 1954.9083 130.9046 -206292.2005 17735.9304 0.0000 0.0000 33962.9330 -149765.9042 296.6067 -183728.8372 -149676.6550 297.4630 -12.3764 21.5355 556306.7382 -2.1579 -2.0491 PRESSURE: 4111200 71.7369 15.1773 -53.7146 15.1769 -68.7357 41.754 -53.7133 41.7539 -66.0938 GPRESSURE: 4111200 117.262 37.7398 -94.451 43.7974 -91.9828 -5.83785 -20.4001 53.6598 21.3477 PRESSAVG: 4111200 5.94842 -65.4386 14.377 -65.4387 -23.9393 74.868 14.377 74.868 16.4045 GPRESSAVG: 4111200 6.22776 -68.5112 16.3453 -65.7037 -25.5167 74.6608 11.9541 76.9776 17.1001 TIMING: 4111200 CPU: 12338.2, 0.00303339/step Wall: 12338.2, 0.00303339/step, 0.74891 hours remaining, 208.613281 MB of memory in use. ENERGY: 4111200 687.9554 2084.8159 1941.1556 118.7788 -206207.8071 17659.3282 0.0000 0.0000 34034.4356 -149681.3376 297.2312 -183715.7732 -149596.6474 298.0697 -21.0309 15.5423 555314.9614 -0.5288 -0.7296 PRESSURE: 4111400 -125.73 -40.1815 -101.406 -40.1812 -98.6827 123.474 -101.406 123.474 28.8182 GPRESSURE: 4111400 -17.6046 -17.566 -127.452 -33.4879 -94.7651 29.8657 -74.3667 116.954 18.3287 PRESSAVG: 4111400 -19.5914 20.7192 29.4849 20.7191 -21.264 19.4201 29.4849 19.4201 66.3691 GPRESSAVG: 4111400 -20.0919 22.7602 30.7377 21.9647 -20.7257 19.878 28.5975 17.446 65.6691 TIMING: 4111400 CPU: 12338.8, 0.0030879/step Wall: 12338.8, 0.0030879/step, 0.762197 hours remaining, 208.625000 MB of memory in use. ENERGY: 4111400 765.1017 2093.8240 1938.4499 113.2242 -206570.9413 17828.1011 0.0000 0.0000 34034.1365 -149798.1039 297.2286 -183832.2404 -149705.3020 297.1231 -65.1983 -31.3470 555984.0806 8.5046 8.2838 PRESSURE: 4111600 -2.50352 40.7692 27.0158 40.768 -58.7995 21.4707 27.0154 21.4693 -286.676 GPRESSURE: 4111600 -3.70497 74.975 70.5004 76.6313 18.3098 60.0842 -47.6903 49.3906 -257.898 PRESSAVG: 4111600 57.6781 6.4977 -9.5367 6.49767 -53.7802 30.1762 -9.53674 30.1763 13.3778 GPRESSAVG: 4111600 58.8474 6.71381 -9.70566 4.36521 -54.2232 31.0442 -7.38154 33.212 12.5717 TIMING: 4111600 CPU: 12339.4, 0.00303992/step Wall: 12339.4, 0.00303992/step, 0.750184 hours remaining, 208.625000 MB of memory in use. ENERGY: 4111600 754.0951 2098.8285 1938.1728 111.1819 -206390.9714 17808.2634 0.0000 0.0000 34150.5754 -149529.8543 298.2455 -183680.4296 -149432.7491 297.7892 -115.9929 -81.0978 557175.0146 5.7586 5.7320 PRESSURE: 4111800 -244.718 145.921 -11.0033 145.921 -64.4991 88.5616 -11.0035 88.563 -183.975 GPRESSURE: 4111800 -193.033 141.001 101.253 114.793 -26.2863 124.609 -78.2643 70.7178 -178.671 PRESSAVG: 4111800 2.08483 54.1051 -9.87656 54.1051 -17.0973 20.8608 -9.87657 20.8608 44.777 GPRESSAVG: 4111800 0.844823 52.0279 -9.71439 55.7417 -17.1574 19.9385 -12.0135 21.6938 46.0361 TIMING: 4111800 CPU: 12340, 0.00302549/step Wall: 12340, 0.00302549/step, 0.746456 hours remaining, 208.625000 MB of memory in use. ENERGY: 4111800 727.5732 2132.8419 1929.1897 116.3262 -206682.5211 17865.4441 0.0000 0.0000 34358.6749 -149552.4712 300.0629 -183911.1462 -149456.5865 298.7879 -164.3974 -132.6635 559098.0222 9.9215 9.9078 PRESSURE: 4112000 28.7183 -12.1983 -24.8832 -12.1989 72.3337 -101.093 -24.8823 -101.094 -64.3538 GPRESSURE: 4112000 54.6994 12.7452 -67.2159 -53.7627 104.776 -105.102 10.9384 -98.3525 -20.8983 PRESSAVG: 4112000 0.374057 11.9252 22.3748 11.9253 9.87595 26.7333 22.3747 26.7333 -5.53937 GPRESSAVG: 4112000 1.35755 12.5123 23.043 11.6292 10.473 27.5433 20.7782 24.1974 -6.83822 TIMING: 4112000 CPU: 12340.7, 0.00303329/step Wall: 12340.7, 0.00303329/step, 0.748211 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: 4112000 749.5784 2128.5605 1917.7205 120.0208 -206556.6163 17895.3340 0.0000 0.0000 34034.5698 -149710.8323 297.2324 -183745.4021 -149616.4197 297.6322 12.2327 46.1925 558026.4226 1.5702 1.6641 PRESSURE: 4112200 204.677 92.1161 -142.719 92.1163 5.00394 18.6573 -142.719 18.657 100.357 GPRESSURE: 4112200 260.519 94.9965 -112.695 144.612 20.5298 13.3457 -198.074 50.5268 129.901 PRESSAVG: 4112200 50.5383 23.2979 -46.3874 23.298 62.6921 -2.72053 -46.3875 -2.72054 -68.9237 GPRESSAVG: 4112200 49.6399 22.7317 -47.3311 24.0763 63.6389 -3.67912 -45.9785 -1.22974 -68.5731 TIMING: 4112200 CPU: 12341.3, 0.00303839/step Wall: 12341.3, 0.00303839/step, 0.749301 hours remaining, 208.625000 MB of memory in use. ENERGY: 4112200 759.5406 2086.5646 1926.1878 125.2623 -206605.8858 18013.8706 0.0000 0.0000 33982.3305 -149712.1294 296.7761 -183694.4600 -149622.2556 297.7089 103.3461 136.9830 556817.4217 14.7689 14.9019 LDB: ============= START OF LOAD BALANCING ============== 12344.7 LDB: ============== END OF LOAD BALANCING =============== 12344.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12344.7 LDB: ============= START OF LOAD BALANCING ============== 12345 LDB: Largest compute 4820 load 0.024646 is 20.9% of average load 0.118136 LDB: Average compute 0.001716 is 1.5% of average load 0.118136 LDB: TIME 12345 LOAD: AVG 0.118136 MAX 0.221316 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.707 MB LDB: TIME 12345 LOAD: AVG 0.118136 MAX 0.221316 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.949 MB LDB: TIME 12345 LOAD: AVG 0.118136 MAX 0.221316 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.949 MB LDB: ============== END OF LOAD BALANCING =============== 12345 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12345 PRESSURE: 4112400 -88.681 25.2247 54.8322 25.2233 66.9488 56.8941 54.832 56.8934 -87.9437 GPRESSURE: 4112400 -7.16566 28.2416 86.8324 -69.0472 64.7319 14.4582 -1.08476 144.495 -79.2938 PRESSAVG: 4112400 50.577 14.1544 -31.338 14.1544 5.79089 9.08812 -31.338 9.0882 -42.5666 GPRESSAVG: 4112400 50.8049 13.3152 -31.9585 13.5986 5.64433 10.2524 -28.9864 7.50555 -42.6639 TIMING: 4112400 CPU: 12341.9, 0.00312437/step Wall: 12341.9, 0.00312437/step, 0.770331 hours remaining, 208.148438 MB of memory in use. ENERGY: 4112400 743.3589 2095.6386 1950.6830 127.3878 -206404.3867 17747.2770 0.0000 0.0000 34157.4116 -149582.6298 298.3052 -183740.0414 -149482.9174 297.6129 -36.5586 -7.2425 556350.6330 4.6004 4.5951 PRESSURE: 4112600 -198.499 145.602 -12.2269 145.602 -306.441 -122.72 -12.2261 -122.72 -36.0822 GPRESSURE: 4112600 -173.232 133.804 19.675 214.799 -230.798 -113.167 -82.1537 -50.0894 -38.7751 PRESSAVG: 4112600 -3.21682 0.621054 22.5702 0.621007 -57.4873 4.51218 22.5702 4.51201 56.2678 GPRESSAVG: 4112600 -4.12963 2.51055 22.9476 -2.46249 -57.3726 4.20103 22.1962 4.91719 57.3076 TIMING: 4112600 CPU: 12342.5, 0.00305564/step Wall: 12342.5, 0.00305564/step, 0.753215 hours remaining, 208.390625 MB of memory in use. ENERGY: 4112600 736.5013 2076.2780 1911.0776 119.4250 -206062.3628 17589.4761 0.0000 0.0000 34034.0999 -149595.5050 297.2283 -183629.6049 -149501.2009 298.5312 -180.3407 -147.6017 556856.4751 -1.4788 -1.3982 PRESSURE: 4112800 -82.8509 -119.353 55.0319 -119.353 -160.02 9.2028 55.0318 9.20256 -21.6618 GPRESSURE: 4112800 -41.4019 -173.31 -33.4297 -29.9318 -150.084 -87.2043 74.7061 77.3102 25.4274 PRESSAVG: 4112800 15.4099 -22.1512 22.491 -22.1512 -41.5853 -11.42 22.491 -11.42 -43.1221 GPRESSAVG: 4112800 15.341 -22.6046 23.4444 -21.0138 -41.1826 -10.0633 21.0185 -11.8358 -43.4334 TIMING: 4112800 CPU: 12343.1, 0.00305319/step Wall: 12343.1, 0.00305319/step, 0.752441 hours remaining, 208.390625 MB of memory in use. ENERGY: 4112800 783.8804 2178.6965 1920.0804 117.0079 -206438.2440 17778.1674 0.0000 0.0000 34125.4957 -149534.9157 298.0264 -183660.4114 -149443.1169 298.3968 -88.1775 -55.3529 556425.7054 -23.0992 -23.0916 PRESSURE: 4113000 -221.472 87.7452 134.802 87.7458 -102.874 132.806 134.802 132.805 -48.1243 GPRESSURE: 4113000 -186.033 73.3592 50.3603 74.0839 -83.5324 107.448 246.221 116.304 -15.1004 PRESSAVG: 4113000 3.5808 9.56963 22.7882 9.56964 45.0481 -36.2652 22.7882 -36.2651 -11.3815 GPRESSAVG: 4113000 3.5764 8.9567 22.3138 11.4412 44.342 -38.5533 22.3881 -34.2001 -11.6149 TIMING: 4113000 CPU: 12343.7, 0.00304978/step Wall: 12343.7, 0.00304978/step, 0.751432 hours remaining, 208.390625 MB of memory in use. ENERGY: 4113000 752.5700 2106.0232 1925.8002 118.7952 -206426.2539 17836.1672 0.0000 0.0000 34243.8284 -149443.0696 299.0599 -183686.8980 -149350.3734 298.8860 -124.1567 -94.8888 557836.3727 12.4158 12.1012 PRESSURE: 4113200 -40.6204 -56.3605 -204.994 -56.3604 -65.9884 -6.16891 -204.993 -6.16784 217.726 GPRESSURE: 4113200 12.1558 3.43016 -156 -48.879 -53.5173 -29.4035 -228.109 -72.0223 265.799 PRESSAVG: 4113200 50.9596 -65.3911 -24.2988 -65.391 -25.6734 -27.0692 -24.2987 -27.0691 15.3211 GPRESSAVG: 4113200 50.7505 -63.4493 -27.2987 -66.8416 -25.7586 -27.7145 -22.8758 -27.1271 15.239 TIMING: 4113200 CPU: 12344.3, 0.00304279/step Wall: 12344.3, 0.00304279/step, 0.74954 hours remaining, 208.390625 MB of memory in use. ENERGY: 4113200 744.6701 2131.6089 1929.7957 110.4484 -206406.6614 17885.0364 0.0000 0.0000 34203.0672 -149402.0347 298.7039 -183605.1019 -149303.4968 298.6965 37.0391 74.8126 557825.3366 13.5358 13.4103 PRESSURE: 4113400 -50.3853 -12.1344 39.8832 -12.1342 56.6844 -127.425 39.8847 -127.424 298.972 GPRESSURE: 4113400 -37.2654 38.5655 23.0552 -11.9349 126.66 -180.736 86.4499 -116.006 315.949 PRESSAVG: 4113400 85.052 -37.2979 41.1168 -37.298 -57.3763 -53.4318 41.1168 -53.4317 -32.0008 GPRESSAVG: 4113400 85.693 -40.393 42.132 -34.5295 -58.5163 -52.5962 41.4132 -54.137 -30.8206 TIMING: 4113400 CPU: 12344.9, 0.00302829/step Wall: 12344.9, 0.00302829/step, 0.745802 hours remaining, 208.445312 MB of memory in use. ENERGY: 4113400 693.4658 2102.9421 1941.0298 102.5284 -206455.9806 17926.4921 0.0000 0.0000 34112.1652 -149577.3571 297.9100 -183689.5223 -149473.6224 298.3377 101.7570 135.1146 557213.6913 -1.4417 -1.2147 PRESSURE: 4113600 7.9487 -68.5577 128.753 -68.5585 93.4184 -104.922 128.753 -104.921 -35.159 GPRESSURE: 4113600 -14.7899 -129.024 119.084 2.8932 183.918 -57.8757 100.895 -52.2994 -1.46201 PRESSAVG: 4113600 10.1985 -42.4532 46.5319 -42.4532 42.6775 9.9009 46.5317 9.90067 -35.6449 GPRESSAVG: 4113600 11.3726 -42.9398 45.9064 -45.0523 43.2208 10.4612 47.0694 11.6704 -37.3755 TIMING: 4113600 CPU: 12345.5, 0.00303632/step Wall: 12345.5, 0.00303632/step, 0.747609 hours remaining, 208.445312 MB of memory in use. ENERGY: 4113600 760.3235 2090.7965 1946.3792 123.0118 -206658.9063 17836.8269 0.0000 0.0000 34379.9882 -149521.5802 300.2490 -183901.5684 -149423.1582 298.2059 22.0694 55.8888 556044.0212 5.7437 5.7393 PRESSURE: 4113800 95.6717 -179.322 -1.19401 -179.322 141.619 -40.7472 -1.19401 -40.7482 -30.993 GPRESSURE: 4113800 127.896 -168.577 -71.2384 -119.07 167.867 7.75829 -6.34893 -47.52 21.0238 PRESSAVG: 4113800 13.1857 -35.3622 32.1666 -35.3622 0.305208 -60.4649 32.1665 -60.4648 20.6241 GPRESSAVG: 4113800 11.3044 -33.5304 34.4101 -36.3261 1.13669 -60.6769 30.9837 -62.9042 21.8907 TIMING: 4113800 CPU: 12346.1, 0.00305698/step Wall: 12346.1, 0.00305698/step, 0.752526 hours remaining, 208.445312 MB of memory in use. ENERGY: 4113800 745.1737 2140.3483 1951.3882 122.8804 -206522.5728 18033.2870 0.0000 0.0000 34211.3140 -149318.1812 298.7759 -183529.4952 -149221.3722 298.7681 68.7658 105.5955 557345.5789 11.3717 11.4439 PRESSURE: 4114000 8.81629 -82.6135 37.3018 -82.6126 102.679 -58.9327 37.302 -58.9329 -162.624 GPRESSURE: 4114000 62.8155 -76.7533 47.648 -102.635 112.064 -58.9081 32.8049 -38.7211 -127.318 PRESSAVG: 4114000 30.0549 -39.3188 -31.555 -39.3188 15.7873 -30.2317 -31.5551 -30.2316 -7.86219 GPRESSAVG: 4114000 31.3653 -39.1562 -30.688 -39.9435 15.0385 -29.5265 -33.3623 -29.6419 -7.50259 TIMING: 4114000 CPU: 12346.8, 0.00304607/step Wall: 12346.8, 0.00304607/step, 0.749671 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: 4114000 728.3739 2062.7948 1924.8435 99.0522 -206182.7662 17835.3335 0.0000 0.0000 34266.3041 -149266.0641 299.2562 -183532.3682 -149165.0509 299.2246 -17.0430 15.8538 558599.2524 12.6600 12.9671 PRESSURE: 4114200 -277.961 60.0873 76.1461 60.0882 -286.683 -52.9902 76.1464 -52.9894 -12.2217 GPRESSURE: 4114200 -203.179 103.829 67.5531 42.38 -247.796 -53.9976 145.092 -25.2192 -26.4468 PRESSAVG: 4114200 1.55263 -5.45412 30.3125 -5.45405 -10.2107 -64.7128 30.3126 -64.7127 -12.567 GPRESSAVG: 4114200 2.42608 -5.56071 29.4146 -4.63799 -9.11608 -64.088 30.1459 -64.8873 -14.3105 TIMING: 4114200 CPU: 12347.4, 0.00308142/step Wall: 12347.4, 0.00308142/step, 0.7582 hours remaining, 208.503906 MB of memory in use. ENERGY: 4114200 731.5338 2083.9622 1934.0344 101.8562 -205860.0490 17471.5100 0.0000 0.0000 34145.3152 -149391.8372 298.1995 -183537.1524 -149297.9371 298.4960 -192.2887 -159.1409 557588.2117 -7.0750 -7.0002 PRESSURE: 4114400 -73.9534 72.9416 42.8901 72.9417 -369.142 36.6529 42.8903 36.6532 -309.831 GPRESSURE: 4114400 -63.5504 53.9547 31.9825 110.453 -354.731 39.1686 -42.3583 -38.8061 -223.584 PRESSAVG: 4114400 18.447 31.5474 -4.2836 31.5475 0.982585 -35.5666 -4.28365 -35.5666 -10.8653 GPRESSAVG: 4114400 16.5466 29.6697 -2.66956 35.571 0.491651 -35.684 -3.22114 -35.7394 -8.83874 TIMING: 4114400 CPU: 12348, 0.00305741/step Wall: 12348, 0.00305741/step, 0.752124 hours remaining, 208.503906 MB of memory in use. ENERGY: 4114400 761.8986 2065.8040 1913.3285 103.2027 -206075.5712 17574.0513 0.0000 0.0000 34346.7954 -149310.4906 299.9591 -183657.2861 -149215.9104 298.7872 -250.9754 -213.9550 558823.0779 2.8548 2.7332 PRESSURE: 4114600 -77.2988 137.712 -72.7599 137.712 -322.689 376.139 -72.7602 376.138 -162.835 GPRESSURE: 4114600 -70.7263 75.6476 -63.1883 167.639 -310.91 331.862 -102.222 419.298 -86.7159 PRESSAVG: 4114600 25.3417 20.3384 20.0555 20.3385 -32.3793 27.443 20.0555 27.4429 43.2609 GPRESSAVG: 4114600 26.8676 20.3227 19.7088 18.5589 -33.1215 26.2525 19.1671 26.7273 42.1126 TIMING: 4114600 CPU: 12348.6, 0.00305798/step Wall: 12348.6, 0.00305798/step, 0.752093 hours remaining, 208.503906 MB of memory in use. ENERGY: 4114600 759.9661 2094.1508 1921.2668 115.4044 -205969.0941 17503.3937 0.0000 0.0000 34193.4410 -149381.4713 298.6198 -183574.9123 -149283.8289 298.9388 -187.6075 -156.1173 557845.6015 12.0744 11.9529 PRESSURE: 4114800 172.085 136.261 -58.0123 136.26 158.241 130.662 -58.0118 130.663 34.2497 GPRESSURE: 4114800 166.488 122.347 -140.407 106.261 219.473 149.966 14.3743 115.297 70.4558 PRESSAVG: 4114800 4.16699 18.6355 -40.8014 18.6356 24.242 36.0987 -40.8014 36.0988 4.7948 GPRESSAVG: 4114800 3.97969 20.266 -41.4857 19.0223 24.7055 37.5456 -39.6304 35.706 4.96883 TIMING: 4114800 CPU: 12349.2, 0.00306546/step Wall: 12349.2, 0.00306546/step, 0.753764 hours remaining, 208.503906 MB of memory in use. ENERGY: 4114800 761.5937 2063.5584 1924.0974 121.5168 -206551.0891 17983.3942 0.0000 0.0000 34403.2609 -149293.6677 300.4522 -183696.9287 -149190.6051 299.1203 121.5251 152.1388 556192.6539 11.0679 11.2180 PRESSURE: 4115000 -161.428 -9.0599 31.0385 -9.05951 -34.3261 -0.295926 31.0396 -0.29504 -263.975 GPRESSURE: 4115000 -139.215 -66.2601 115.878 48.3011 25.8714 22.9112 26.1597 -10.0184 -233.609 PRESSAVG: 4115000 -44.1845 39.5389 6.87833 39.5389 81.9385 23.0597 6.87832 23.0597 -53.826 GPRESSAVG: 4115000 -45.3072 38.3282 8.01323 40.2122 83.6928 20.893 5.06303 25.6888 -54.4492 TIMING: 4115000 CPU: 12349.8, 0.00305788/step Wall: 12349.8, 0.00305788/step, 0.751729 hours remaining, 208.503906 MB of memory in use. ENERGY: 4115000 762.7445 2038.5905 1939.3969 109.2586 -205936.5108 17550.1308 0.0000 0.0000 34162.0791 -149374.3104 298.3459 -183536.3894 -149269.0170 299.2512 -153.2431 -115.6510 556910.9724 -5.3573 -5.3545 PRESSURE: 4115200 252.347 88.4041 97.086 88.4052 20.8565 85.0504 97.0867 85.0514 15.5501 GPRESSURE: 4115200 347.573 126.532 83.9799 126.496 48.0067 78.9454 69.2999 61.0031 -15.7535 PRESSAVG: 4115200 -29.755 5.85396 35.8519 5.85395 4.12588 75.6158 35.852 75.6158 13.2402 GPRESSAVG: 4115200 -27.6737 7.73162 35.3175 3.97256 2.1622 77.0769 37.6972 75.4207 12.7948 TIMING: 4115200 CPU: 12350.4, 0.00305644/step Wall: 12350.4, 0.00305644/step, 0.751206 hours remaining, 208.503906 MB of memory in use. ENERGY: 4115200 720.3834 2154.1653 1946.0931 130.2706 -206235.8119 17865.5000 0.0000 0.0000 34142.7235 -149276.6759 298.1769 -183419.3995 -149181.0472 298.6664 96.2512 126.6087 556382.7533 -4.1296 -4.2389 PRESSURE: 4115400 -125.712 -102.033 108.394 -102.033 -98.847 -136.952 108.395 -136.951 -77.8471 GPRESSURE: 4115400 -7.08127 -149.744 81.7431 -93.8581 -91.9418 -48.5829 214.096 -222.885 -105.272 PRESSAVG: 4115400 -3.78591 -41.583 6.51533 -41.583 20.953 -32.306 6.51548 -32.306 -50.9736 GPRESSAVG: 4115400 -4.54204 -43.6212 6.23283 -42.696 20.8861 -32.3342 8.61793 -33.3416 -50.0578 TIMING: 4115400 CPU: 12351, 0.00305166/step Wall: 12351, 0.00305166/step, 0.749861 hours remaining, 208.503906 MB of memory in use. ENERGY: 4115400 757.4543 2100.3642 1944.5150 113.4148 -205929.2912 17655.8872 0.0000 0.0000 34053.2420 -149304.4137 297.3954 -183357.6557 -149219.3157 299.1277 -100.8021 -68.0983 558737.0897 -11.2688 -11.2379 PRESSURE: 4115600 159.012 -47.9455 -73.1322 -47.9455 32.7067 -29.9444 -73.132 -29.9469 14.7482 GPRESSURE: 4115600 161.163 -90.755 -2.67931 -33.3034 89.6849 -29.1866 -57.4942 -93.2394 49.2147 PRESSAVG: 4115600 30.1023 -1.08116 -23.3466 -1.08121 -1.20125 -18.7068 -23.3467 -18.707 -13.7222 GPRESSAVG: 4115600 28.99 -0.558129 -24.0462 0.208557 -0.892633 -19.1552 -23.9506 -18.8744 -13.7111 TIMING: 4115600 CPU: 12351.7, 0.00304061/step Wall: 12351.7, 0.00304061/step, 0.746976 hours remaining, 208.503906 MB of memory in use. ENERGY: 4115600 745.2157 2091.4100 1933.4328 123.3887 -206595.7205 18009.4201 0.0000 0.0000 34456.9921 -149235.8611 300.9215 -183692.8532 -149142.4952 300.0171 68.8223 100.0209 556370.9969 5.0596 4.7954 PRESSURE: 4115800 -53.86 40.0536 -148.3 40.0538 -228.605 112.425 -148.301 112.426 -68.7443 GPRESSURE: 4115800 -6.01648 98.7633 -158.904 38.2125 -194.071 96.4581 -86.4841 122.203 -50.4866 PRESSAVG: 4115800 4.28726 27.7058 -20.2531 27.7058 -31.8026 -10.6781 -20.2531 -10.678 62.8697 GPRESSAVG: 4115800 3.31588 28.7813 -19.1246 27.1886 -30.317 -11.1706 -21.1534 -11.7063 61.9937 TIMING: 4115800 CPU: 12352.3, 0.00303412/step Wall: 12352.3, 0.00303412/step, 0.745213 hours remaining, 208.503906 MB of memory in use. ENERGY: 4115800 748.5173 2060.4662 1952.6075 111.8841 -206050.4033 17840.0155 0.0000 0.0000 34096.0088 -149240.9039 297.7689 -183336.9127 -149140.4143 299.3810 -117.0697 -83.5247 558158.3106 11.7848 11.6642 PRESSURE: 4116000 5.85732 107.987 -58.2198 107.987 7.43694 0.140256 -58.2201 0.142286 -64.6529 GPRESSURE: 4116000 9.79483 93.1112 7.72157 70.9753 63.8939 123.423 -103.236 -41.3708 -19.4825 PRESSAVG: 4116000 -4.78432 62.4291 -1.13351 62.4291 -41.8992 10.1859 -1.13363 10.186 21.6957 GPRESSAVG: 4116000 -3.68771 60.5211 -2.39051 63.8185 -42.5122 11.8258 -2.25821 10.438 21.2495 TIMING: 4116000 CPU: 12352.9, 0.00304425/step Wall: 12352.9, 0.00304425/step, 0.747534 hours remaining, 208.503906 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: 4116000 743.5237 2062.3791 1963.0478 107.2809 -206108.2186 17874.5232 0.0000 0.0000 34354.8834 -149002.5804 300.0297 -183357.4638 -148904.6305 299.2609 -17.1196 18.0687 557990.9210 -8.3293 -8.3168 PRESSURE: 4116200 -90.8989 63.0427 -53.7932 63.0426 20.4305 52.2839 -53.7935 52.2832 154.246 GPRESSURE: 4116200 -27.1001 64.0241 -12.3893 62.7738 38.2884 37.1018 -104.286 15.6697 184.49 PRESSAVG: 4116200 0.884639 -16.1554 10.6937 -16.1554 25.1612 18.1333 10.6937 18.1332 -36.2008 GPRESSAVG: 4116200 1.30865 -15.4311 10.8995 -16.2145 23.5847 16.3021 12.1182 18.118 -35.29 TIMING: 4116200 CPU: 12353.5, 0.00304798/step Wall: 12353.5, 0.00304798/step, 0.74828 hours remaining, 208.503906 MB of memory in use. ENERGY: 4116200 780.6612 2101.6187 1935.9580 121.2867 -206129.5679 17994.4059 0.0000 0.0000 34247.9955 -148947.6420 299.0963 -183195.6374 -148859.3176 300.1270 27.9257 65.2262 557807.7207 -3.3850 -3.4656 LDB: ============= START OF LOAD BALANCING ============== 12356.9 LDB: ============== END OF LOAD BALANCING =============== 12356.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12356.9 LDB: ============= START OF LOAD BALANCING ============== 12357.2 LDB: Largest compute 4820 load 0.024816 is 21.0% of average load 0.118213 LDB: Average compute 0.001722 is 1.5% of average load 0.118213 LDB: TIME 12357.2 LOAD: AVG 0.118213 MAX 0.223549 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.113 MB LDB: TIME 12357.2 LOAD: AVG 0.118213 MAX 0.223549 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.113 MB LDB: TIME 12357.2 LOAD: AVG 0.118213 MAX 0.223549 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.113 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12357.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12357.2 PRESSURE: 4116400 56.3221 -13.3574 -154.056 -13.3578 -169.999 -128.049 -154.056 -128.05 4.96118 GPRESSURE: 4116400 74.9 -92.203 -76.5769 49.2842 -138.957 -130.285 -162.386 -96.4552 46.7595 PRESSAVG: 4116400 -36.9844 -19.2733 -29.9974 -19.2733 -36.8918 -24.7799 -29.9973 -24.7798 45.9919 GPRESSAVG: 4116400 -37.2766 -19.2087 -28.5023 -19.1359 -35.7939 -23.9311 -31.0048 -23.2037 45.4433 TIMING: 4116400 CPU: 12354.1, 0.00309447/step Wall: 12354.1, 0.00309447/step, 0.75952 hours remaining, 208.394531 MB of memory in use. ENERGY: 4116400 723.7670 2074.3772 1937.8799 113.5550 -205905.1994 17758.7398 0.0000 0.0000 34203.5819 -149093.2985 298.7084 -183296.8804 -148998.3528 299.6642 -36.2387 -5.7659 559018.6845 -9.2948 -9.2091 PRESSURE: 4116600 178.071 -87.9596 50.1003 -87.9583 102.528 -18.067 50.0996 -18.0658 -189.727 GPRESSURE: 4116600 192.275 1.69936 -35.9293 -157.866 180.242 61.9657 92.9928 -99.721 -182.299 PRESSAVG: 4116600 -56.337 2.57163 7.70639 2.57161 39.5825 -34.6893 7.70638 -34.6893 21.8269 GPRESSAVG: 4116600 -56.2779 3.55635 6.50528 1.45167 40.1952 -31.8936 10.2022 -37.8208 21.3405 TIMING: 4116600 CPU: 12354.7, 0.00305529/step Wall: 12354.7, 0.00305529/step, 0.749734 hours remaining, 208.597656 MB of memory in use. ENERGY: 4116600 734.8979 2081.7102 1909.4903 109.8540 -206286.0606 17843.4105 0.0000 0.0000 34411.9661 -149194.7316 300.5283 -183606.6978 -149091.3731 299.3017 30.2906 63.4059 557541.8989 1.6908 1.7526 PRESSURE: 4116800 104.03 -119.904 -21.4935 -119.903 179.27 -43.6048 -21.4929 -43.6032 -277.407 GPRESSURE: 4116800 79.1215 -129.006 -1.92129 -177.755 239.707 -65.3873 -79.0109 -66.0373 -232.744 PRESSAVG: 4116800 25.7162 -34.4834 -2.57395 -34.4833 39.3408 28.4309 -2.57407 28.4309 -78.3498 GPRESSAVG: 4116800 25.8287 -33.3916 -4.84142 -34.1644 38.4726 25.2136 -3.61378 31.1824 -77.5987 TIMING: 4116800 CPU: 12355.3, 0.00303789/step Wall: 12355.3, 0.00303789/step, 0.745297 hours remaining, 208.597656 MB of memory in use. ENERGY: 4116800 733.9186 2074.8361 1916.7188 104.7293 -206110.6297 17889.8178 0.0000 0.0000 34258.8800 -149131.7292 299.1913 -183390.6092 -149026.8826 299.2062 1.9644 28.6946 558090.4424 -4.4310 -4.4325 PRESSURE: 4117000 -99.4551 -24.6189 198.918 -24.6185 80.5361 -136.82 198.918 -136.822 -134.625 GPRESSURE: 4117000 -77.173 -100.592 130.064 -78.5632 117.157 -108.884 222.487 -73.929 -95.7946 PRESSAVG: 4117000 -15.3443 -44.0539 -14.0958 -44.0538 43.2977 34.6254 -14.0958 34.6253 -25.8344 GPRESSAVG: 4117000 -15.9543 -45.0475 -13.3012 -42.3113 42.546 36.132 -15.1244 34.2425 -24.4498 TIMING: 4117000 CPU: 12355.9, 0.00304512/step Wall: 12355.9, 0.00304512/step, 0.746901 hours remaining, 208.597656 MB of memory in use. ENERGY: 4117000 749.6015 2082.5416 1897.5426 116.5916 -206279.1480 17861.1808 0.0000 0.0000 34383.7489 -149187.9411 300.2818 -183571.6899 -149087.9970 299.7055 -51.1814 -18.6036 558159.0289 0.7063 0.7140 PRESSURE: 4117200 -93.8018 -8.33568 77.1178 -8.33582 -189.52 57.1182 77.1183 57.1173 -126.129 GPRESSURE: 4117200 -105.363 -1.82078 -5.66391 62.3178 -132.954 -6.0272 55.5322 106.721 -73.966 PRESSAVG: 4117200 -89.1423 -33.0473 23.4631 -33.0473 33.3775 23.2598 23.4631 23.2598 3.23498 GPRESSAVG: 4117200 -88.4307 -32.6101 23.863 -33.8557 33.6353 23.1943 24.1257 22.8187 1.82592 TIMING: 4117200 CPU: 12356.5, 0.00307219/step Wall: 12356.5, 0.00307219/step, 0.753368 hours remaining, 208.597656 MB of memory in use. ENERGY: 4117200 769.3486 2023.8934 1921.3089 113.3817 -205937.8711 17650.0544 0.0000 0.0000 34195.3839 -149264.5002 298.6368 -183459.8841 -149162.6788 299.5622 -136.4838 -104.0946 559051.3157 -17.5100 -17.6565 PRESSURE: 4117400 423.867 -74.0163 -43.5657 -74.0158 -53.9924 63.8523 -43.5667 63.8506 166.462 GPRESSURE: 4117400 449.227 -60.3745 -89.792 -84.2711 -14.932 101.432 37.4505 44.8732 212.43 PRESSAVG: 4117400 44.4672 -36.5645 -47.7464 -36.5646 -69.1182 42.8447 -47.7463 42.8447 22.4254 GPRESSAVG: 4117400 42.8714 -36.9992 -47.872 -38.9007 -67.6502 43.931 -49.3315 42.2712 23.078 TIMING: 4117400 CPU: 12357.2, 0.00306741/step Wall: 12357.2, 0.00306741/step, 0.752026 hours remaining, 208.597656 MB of memory in use. ENERGY: 4117400 704.8965 2113.1583 1935.7117 121.6876 -206322.5966 18011.4019 0.0000 0.0000 34213.9625 -149221.7781 298.7990 -183435.7406 -149132.6717 298.6118 178.7789 215.5750 557847.6855 -0.7419 -0.5669 PRESSURE: 4117600 9.81303 -12.5668 49.7213 -12.5662 -45.2797 206.056 49.7208 206.056 91.9728 GPRESSURE: 4117600 56.2668 -8.50664 90.5858 16.7327 10.9685 178.814 72.0801 201.39 86.7267 PRESSAVG: 4117600 68.1882 13.2184 6.58147 13.2183 -48.7538 32.9051 6.58152 32.9051 -6.7705 GPRESSAVG: 4117600 68.9867 13.2812 7.82384 14.0024 -49.7507 31.2674 8.48265 33.0657 -6.53847 TIMING: 4117600 CPU: 12357.8, 0.00306067/step Wall: 12357.8, 0.00306067/step, 0.750203 hours remaining, 208.597656 MB of memory in use. ENERGY: 4117600 744.5338 2058.8024 1945.7774 124.2271 -206280.4473 17935.2075 0.0000 0.0000 34326.3300 -149145.5691 299.7804 -183471.8991 -149054.0470 299.5466 18.8354 51.3207 558118.7299 4.2213 4.2325 PRESSURE: 4117800 -152.899 85.1777 -91.953 85.1771 -436.489 202.02 -91.9526 202.019 -136.03 GPRESSURE: 4117800 -88.9524 137.15 -53.4684 37.3583 -428.1 78.0693 -50.9506 226.294 -110.954 PRESSAVG: 4117800 34.4204 -8.46033 -0.110474 -8.4604 7.08364 31.2739 -0.110543 31.2738 -28.9664 GPRESSAVG: 4117800 35.8283 -9.4009 -0.631852 -7.80565 6.89373 32.4229 0.131755 30.6253 -29.9392 TIMING: 4117800 CPU: 12358.4, 0.00305318/step Wall: 12358.4, 0.00305318/step, 0.748198 hours remaining, 208.597656 MB of memory in use. ENERGY: 4117800 781.1111 2084.6330 1952.1603 114.3006 -205905.6241 17567.7659 0.0000 0.0000 34145.9577 -149259.6955 298.2051 -183405.6532 -149164.8112 299.5675 -241.8062 -209.3357 557821.1932 4.1792 4.2610 PRESSURE: 4118000 -115.072 75.0825 117.811 75.0836 -57.0231 -50.3347 117.812 -50.3342 35.9926 GPRESSURE: 4118000 -2.43392 42.6969 68.2495 87.7382 -66.4872 -48.7166 102.14 -100.998 23.0185 PRESSAVG: 4118000 3.91534 3.04726 -58.5176 3.04717 -35.371 -3.07965 -58.5176 -3.0797 6.9796 GPRESSAVG: 4118000 2.72001 3.7456 -60.6654 0.617569 -34.7277 -3.48569 -57.7346 -3.86899 7.32906 TIMING: 4118000 CPU: 12359, 0.00308444/step Wall: 12359, 0.00308444/step, 0.755687 hours remaining, 208.597656 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: 4118000 769.1875 2065.1227 1916.0997 130.6876 -205834.2919 17597.6286 0.0000 0.0000 34116.0258 -149239.5400 297.9437 -183355.5658 -149140.4203 298.7144 -45.3674 -15.3008 556944.2706 -8.1587 -8.2262 PRESSURE: 4118200 -32.3187 65.1723 -58.4345 65.1722 -104.374 -130.422 -58.4355 -130.422 46.936 GPRESSURE: 4118200 -29.6101 51.0055 -53.6175 73.5467 -56.838 -63.6269 -16.0529 -148.769 99.2979 PRESSAVG: 4118200 -52.8345 -34.4514 -67.8562 -34.4514 -14.9193 -16.3793 -67.8562 -16.3792 36.1466 GPRESSAVG: 4118200 -52.6952 -34.1295 -67.2084 -31.5914 -16.2661 -15.8492 -68.9318 -16.3852 37.4519 TIMING: 4118200 CPU: 12359.6, 0.00306157/step Wall: 12359.6, 0.00306157/step, 0.749915 hours remaining, 208.597656 MB of memory in use. ENERGY: 4118200 762.6874 2070.8923 1933.4613 109.5190 -205686.7414 17513.3672 0.0000 0.0000 34122.0762 -149174.7381 297.9966 -183296.8143 -149081.0700 298.6104 -29.9191 4.2833 555510.8780 -10.5357 -10.5031 PRESSURE: 4118400 127.24 -27.8297 -57.5077 -27.8302 -47.2029 41.1625 -57.5078 41.1621 21.3497 GPRESSURE: 4118400 215.645 -35.816 -63.0471 49.4167 -19.2063 24.9685 -108.058 -11.4527 9.19254 PRESSAVG: 4118400 -29.272 -15.7501 -8.59911 -15.7502 4.12114 22.629 -8.59913 22.6291 15.2358 GPRESSAVG: 4118400 -29.6037 -15.7551 -6.65211 -17.3659 4.39904 22.3718 -10.6393 23.4896 15.1256 TIMING: 4118400 CPU: 12360.2, 0.00309887/step Wall: 12360.2, 0.00309887/step, 0.75888 hours remaining, 208.597656 MB of memory in use. ENERGY: 4118400 760.7494 2102.0420 1972.0942 118.6730 -205671.2437 17668.4623 0.0000 0.0000 33985.0570 -149064.1659 296.8000 -183049.2229 -148972.3891 298.9298 33.7956 68.5437 556482.0586 -3.3050 -3.3597 PRESSURE: 4118600 -28.987 102.019 -133.592 102.018 -144.853 70.0415 -133.593 70.0432 10.8292 GPRESSURE: 4118600 -29.101 95.696 -115.681 116.478 -116.749 99.404 -94.1357 46.029 82.6736 PRESSAVG: 4118600 21.9702 -17.9737 14.5202 -17.9737 -32.6735 36.2333 14.5201 36.2333 35.5331 GPRESSAVG: 4118600 21.5087 -17.4692 12.0102 -16.4759 -31.7027 36.3083 15.6699 36.103 35.5606 TIMING: 4118600 CPU: 12360.8, 0.0030551/step Wall: 12360.8, 0.0030551/step, 0.74799 hours remaining, 208.597656 MB of memory in use. ENERGY: 4118600 769.5632 2106.7485 1935.8680 107.4931 -205951.1559 17807.8769 0.0000 0.0000 34211.4207 -149012.1854 298.7768 -183223.6061 -148915.3527 299.6779 -54.3370 -21.0586 557784.1091 8.2766 8.4555 PRESSURE: 4118800 -107.662 -44.0971 -2.81459 -44.0981 -178.441 -98.5975 -2.81461 -98.5974 -22.025 GPRESSURE: 4118800 -81.8602 27.9418 -55.2498 -58.6752 -143.246 -112.97 -50.25 -76.8139 21.0632 PRESSAVG: 4118800 -9.38102 18.7363 -14.696 18.7362 -12.3206 -8.58213 -14.696 -8.58199 37.6882 GPRESSAVG: 4118800 -9.40388 19.3725 -12.3699 17.2006 -13.0279 -8.30533 -12.8551 -11.088 38.1737 TIMING: 4118800 CPU: 12361.4, 0.00306593/step Wall: 12361.4, 0.00306593/step, 0.750473 hours remaining, 208.597656 MB of memory in use. ENERGY: 4118800 774.6319 2080.0042 1905.9601 112.5191 -206063.0154 17669.6096 0.0000 0.0000 34357.3799 -149162.9106 300.0515 -183520.2905 -149064.8044 299.7967 -102.7093 -68.0144 557583.2154 5.3288 5.2473 PRESSURE: 4119000 98.2076 -68.4546 -72.7821 -68.4553 89.8691 -31.8241 -72.7824 -31.8226 -437.178 GPRESSURE: 4119000 93.952 -15.5405 -48.1027 -109.662 134.533 -10.1405 -134.452 -15.781 -386.041 PRESSAVG: 4119000 -59.8308 27.1025 4.48304 27.1026 48.4714 15.6544 4.4831 15.6544 4.98915 GPRESSAVG: 4119000 -57.1132 23.7861 4.09297 28.8791 47.6238 13.73 2.40711 18.091 2.5637 TIMING: 4119000 CPU: 12362.1, 0.00305238/step Wall: 12362.1, 0.00305238/step, 0.746985 hours remaining, 208.597656 MB of memory in use. ENERGY: 4119000 768.2743 2086.7801 1927.2466 103.1543 -205809.3783 17648.6554 0.0000 0.0000 34309.8296 -148965.4381 299.6363 -183275.2677 -148872.5695 299.5644 -83.0336 -52.5187 557401.3548 -2.1234 -2.3086 PRESSURE: 4119200 60.4793 43.2413 65.6031 43.2416 -28.6557 -106.606 65.6036 -106.608 -13.9633 GPRESSURE: 4119200 127 3.99651 34.1245 40.3243 -77.0288 -124.202 17.3005 -17.9771 54.9805 PRESSAVG: 4119200 -40.2088 -1.67523 37.098 -1.67527 97.1786 3.94811 37.0981 3.94811 -12.498 GPRESSAVG: 4119200 -41.9046 0.146118 36.2311 0.711614 97.3699 5.09638 39.2581 2.66329 -10.4411 TIMING: 4119200 CPU: 12362.7, 0.00305042/step Wall: 12362.7, 0.00305042/step, 0.746337 hours remaining, 208.597656 MB of memory in use. ENERGY: 4119200 735.4127 2096.7951 1915.0608 120.7003 -205889.2084 17786.2079 0.0000 0.0000 34322.2131 -148912.8183 299.7444 -183235.0314 -148817.1751 299.9091 5.9534 34.9840 558951.5694 14.8239 15.0080 PRESSURE: 4119400 -103.038 -18.1511 -31.7534 -18.1501 -46.8123 -67.4256 -31.7515 -67.4263 -134.132 GPRESSURE: 4119400 -36.4401 45.372 -22.7056 -28.9313 -42.7519 59.5084 4.93351 -34.0268 -109.433 PRESSAVG: 4119400 -54.3384 -54.4447 -36.6297 -54.4448 35.168 -14.2716 -36.6297 -14.2715 38.4673 GPRESSAVG: 4119400 -52.9392 -54.0674 -34.7378 -58.2393 33.9973 -13.9161 -40.551 -16.2101 38.1236 TIMING: 4119400 CPU: 12363.3, 0.00304484/step Wall: 12363.3, 0.00304484/step, 0.744801 hours remaining, 208.597656 MB of memory in use. ENERGY: 4119400 782.4799 2095.9415 1921.6194 124.4784 -205868.4126 17671.7100 0.0000 0.0000 34479.4146 -148792.7688 301.1173 -183272.1834 -148691.3534 300.4594 -94.6609 -62.8750 557238.0087 6.4323 6.3939 PRESSURE: 4119600 -171.73 215.849 -44.7767 215.849 -96.7611 -18.2689 -44.7762 -18.2672 -256.231 GPRESSURE: 4119600 -152.368 205.093 -27.2445 146.898 -66.5629 -86.0149 15.7067 13.8492 -211.631 PRESSAVG: 4119600 -19.0234 39.2813 18.0763 39.2813 -16.4844 -4.68233 18.0763 -4.68236 40.832 GPRESSAVG: 4119600 -19.4383 40.2277 17.8253 40.0899 -14.3831 -5.69319 20.8259 -2.7203 39.5308 TIMING: 4119600 CPU: 12363.9, 0.00304004/step Wall: 12363.9, 0.00304004/step, 0.743459 hours remaining, 208.597656 MB of memory in use. ENERGY: 4119600 756.3038 2088.3757 1944.3365 109.2766 -205460.1815 17362.9569 0.0000 0.0000 34352.9066 -148846.0253 300.0125 -183198.9320 -148752.1951 300.2926 -174.9075 -143.5207 557739.7883 1.7747 1.9031 PRESSURE: 4119800 -74.6987 78.506 133.678 78.5067 61.806 152.33 133.677 152.332 -68.6295 GPRESSURE: 4119800 -10.5526 127.895 52.7201 -7.09119 36.3954 148.045 146.631 154.487 -8.2041 PRESSAVG: 4119800 -19.6723 55.1657 9.12683 55.1656 25.8275 3.96242 9.12675 3.96226 -8.08739 GPRESSAVG: 4119800 -20.2075 56.0496 8.46956 54.4535 24.6976 4.76607 8.99652 4.94511 -6.77868 TIMING: 4119800 CPU: 12364.5, 0.0030519/step Wall: 12364.5, 0.0030519/step, 0.746189 hours remaining, 208.597656 MB of memory in use. ENERGY: 4119800 747.0614 2124.8571 1915.6742 114.8095 -205736.0804 17521.6863 0.0000 0.0000 34463.7341 -148848.2578 300.9804 -183311.9918 -148754.3972 300.6960 -27.1741 5.8796 557736.4785 -0.6441 -0.7629 PRESSURE: 4120000 173.469 -174.456 59.9354 -174.456 145.436 -111.93 59.9347 -111.93 240.473 GPRESSURE: 4120000 238.642 -100.099 -6.4771 -220.311 157.054 -117.228 36.3563 -0.675429 250.955 PRESSAVG: 4120000 -12.757 -34.3791 30.4718 -34.379 -42.9725 -53.8508 30.4718 -53.8508 92.3369 GPRESSAVG: 4120000 -12.0272 -35.6965 29.3879 -35.1983 -43.8322 -54.3906 29.9107 -53.5743 92.4413 TIMING: 4120000 CPU: 12365.1, 0.00306005/step Wall: 12365.1, 0.00306005/step, 0.748012 hours remaining, 208.597656 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: 4120000 698.4540 2095.5759 1938.2586 121.2461 -206040.7736 17852.5310 0.0000 0.0000 34492.0225 -148842.6854 301.2274 -183334.7079 -148748.1216 300.8280 186.4593 215.5501 556833.3279 12.2025 12.1940 PRESSURE: 4120200 -172.475 101.194 -184.295 101.193 -377.603 135.123 -184.294 135.122 -101.162 GPRESSURE: 4120200 -110.983 132.165 -163.467 89.1102 -332.591 91.0443 -188.951 86.9168 -120.757 PRESSAVG: 4120200 -63.2202 -10.1993 26.2444 -10.1992 -26.7371 36.8842 26.2445 36.8842 34.6244 GPRESSAVG: 4120200 -63.373 -9.08023 27.8582 -9.92498 -25.999 36.074 25.9896 35.3958 33.7544 TIMING: 4120200 CPU: 12365.7, 0.00306513/step Wall: 12365.7, 0.00306513/step, 0.749084 hours remaining, 208.597656 MB of memory in use. ENERGY: 4120200 745.9364 2070.2574 1909.8983 115.4505 -205703.1718 17586.6206 0.0000 0.0000 34322.2571 -148952.7516 299.7448 -183275.0087 -148856.0293 300.1072 -217.0801 -188.1105 558804.9633 -18.4443 -18.5392 LDB: ============= START OF LOAD BALANCING ============== 12369.2 LDB: ============== END OF LOAD BALANCING =============== 12369.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12369.2 LDB: ============= START OF LOAD BALANCING ============== 12369.5 LDB: Largest compute 4820 load 0.025534 is 21.6% of average load 0.118119 LDB: Average compute 0.001712 is 1.4% of average load 0.118119 LDB: TIME 12369.5 LOAD: AVG 0.118119 MAX 0.224047 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.914 MB LDB: TIME 12369.5 LOAD: AVG 0.118119 MAX 0.224047 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.918 MB LDB: TIME 12369.5 LOAD: AVG 0.118119 MAX 0.224047 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.918 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12369.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12369.5 PRESSURE: 4120400 -154.374 -67.5542 14.9671 -67.5538 -202.011 114.299 14.9677 114.297 57.7116 GPRESSURE: 4120400 -160.478 -74.1631 81.5551 -90.5376 -161.793 97.8292 39.3223 141.981 114.716 PRESSAVG: 4120400 -62.1391 10.5482 -1.92011 10.5481 9.15612 -17.8908 -1.92007 -17.8909 60.475 GPRESSAVG: 4120400 -62.7244 10.1683 -2.75046 9.86547 9.5502 -18.4373 -1.23189 -16.1066 60.4507 TIMING: 4120400 CPU: 12366.3, 0.00311753/step Wall: 12366.3, 0.00311753/step, 0.761717 hours remaining, 207.175781 MB of memory in use. ENERGY: 4120400 725.6042 2113.2934 1906.8937 100.8610 -206046.4746 17697.8823 0.0000 0.0000 34377.8928 -149124.0473 300.2307 -183501.9401 -149025.8838 300.3593 -99.5577 -69.1848 557552.1335 2.4973 2.4255 PRESSURE: 4120600 1.08521 -75.5409 -16.0802 -75.5409 -152.347 -83.0068 -16.081 -83.008 171.457 GPRESSURE: 4120600 66.0605 -69.7185 -85.3735 -35.6452 -105.119 -88.6889 -8.34759 -89.9506 153.085 PRESSAVG: 4120600 -12.5162 2.51014 -21.946 2.51011 -10.2928 -10.2137 -21.946 -10.2136 23.99 GPRESSAVG: 4120600 -12.108 2.60836 -20.4739 3.2009 -11.9313 -8.00986 -23.181 -12.7302 24.7871 TIMING: 4120600 CPU: 12367, 0.00304033/step Wall: 12367, 0.00304033/step, 0.742686 hours remaining, 207.175781 MB of memory in use. ENERGY: 4120600 734.3867 2060.3329 1946.2261 105.5272 -205858.1349 17626.0087 0.0000 0.0000 34260.4455 -149125.2077 299.2050 -183385.6533 -149033.6743 299.5070 6.7319 38.0091 557189.4666 0.3937 0.2493 PRESSURE: 4120800 -43.8154 41.2238 77.5469 41.2251 -49.9272 198.267 77.5483 198.268 -148.153 GPRESSURE: 4120800 -56.5354 12.3102 57.9347 12.0837 -3.13104 156.127 67.1606 142.166 -97.5841 PRESSAVG: 4120800 -22.8751 20.097 5.87664 20.097 -35.7574 24.8153 5.87666 24.8153 63.7572 GPRESSAVG: 4120800 -22.8241 19.6044 4.8279 21.1279 -34.7886 23.378 6.72256 25.6623 62.8316 TIMING: 4120800 CPU: 12367.6, 0.00304963/step Wall: 12367.6, 0.00304963/step, 0.744788 hours remaining, 207.175781 MB of memory in use. ENERGY: 4120800 754.9794 2038.0312 1936.1520 101.5241 -205935.4554 17692.5392 0.0000 0.0000 34399.5075 -149012.7220 300.4195 -183412.2295 -148917.3350 299.6343 -80.6318 -52.4168 558627.1783 1.7082 1.7396 PRESSURE: 4121000 -214.202 130.719 177.776 130.72 -52.5711 154.856 177.776 154.856 279.341 GPRESSURE: 4121000 -206.775 73.5511 175.397 128.587 3.14773 170.122 120.605 86.1344 307.995 PRESSAVG: 4121000 -4.99818 6.11484 63.8103 6.11491 -70.9406 12.9844 63.8104 12.9843 81.8817 GPRESSAVG: 4121000 -5.32066 6.50479 62.9888 3.68651 -70.028 13.7619 64.4551 13.6681 81.34 TIMING: 4121000 CPU: 12368.2, 0.00307352/step Wall: 12368.2, 0.00307352/step, 0.75045 hours remaining, 207.175781 MB of memory in use. ENERGY: 4121000 754.9890 2094.9111 1938.4672 100.8067 -206177.6328 18007.0802 0.0000 0.0000 34160.5932 -149120.7853 298.3330 -183281.3785 -149020.8919 299.9505 4.1895 34.7895 559119.6192 1.9810 1.9971 PRESSURE: 4121200 -33.8862 102.638 72.2138 102.637 -68.9517 82.4626 72.214 82.4618 48.8641 GPRESSURE: 4121200 33.0069 121.95 161.626 98.8364 -18.1174 143.371 4.49606 55.6643 27.3168 PRESSAVG: 4121200 -66.7426 19.8997 51.1362 19.8997 -17.3077 20.9672 51.1362 20.9671 67.9627 GPRESSAVG: 4121200 -66.3174 19.88 50.2449 20.1258 -17.4916 20.1269 49.4589 20.1774 68.2678 TIMING: 4121200 CPU: 12368.8, 0.00305589/step Wall: 12368.8, 0.00305589/step, 0.745977 hours remaining, 207.175781 MB of memory in use. ENERGY: 4121200 756.2726 2071.6368 1944.6367 118.4685 -206427.6070 18124.3813 0.0000 0.0000 34289.9355 -149122.2756 299.4625 -183412.2111 -149024.4381 299.3904 -17.9913 14.0688 559440.6157 -5.3626 -5.1804 PRESSURE: 4121400 -135.472 81.2542 -111.634 81.2536 -14.1355 150.429 -111.634 150.428 69.7463 GPRESSURE: 4121400 -48.9903 126.148 -59.2772 117.505 -23.5241 96.0563 -86.4172 125.639 97.1098 PRESSAVG: 4121400 10.4617 72.2255 -15.9766 72.2256 -28.0282 50.7148 -15.9766 50.7147 29.8256 GPRESSAVG: 4121400 9.54735 72.4849 -13.6873 73.1229 -28.5558 50.88 -14.7049 51.0702 30.4565 TIMING: 4121400 CPU: 12369.4, 0.00305657/step Wall: 12369.4, 0.00305657/step, 0.745973 hours remaining, 207.175781 MB of memory in use. ENERGY: 4121400 758.5716 2122.0812 1950.1404 114.7693 -206130.0728 17887.0803 0.0000 0.0000 34090.8424 -149206.5878 297.7238 -183297.4302 -149103.8915 299.3442 -26.6203 8.1985 559990.9404 4.0864 3.8160 PRESSURE: 4121600 66.1554 36.9191 -45.9854 36.9196 14.4891 -48.1686 -45.9839 -48.1691 153.171 GPRESSURE: 4121600 106.928 40.0707 90.9515 -7.55947 31.758 -37.9379 -199.328 -96.7277 200.155 PRESSAVG: 4121600 -62.7674 -6.57277 7.36056 -6.57282 -88.5266 5.55876 7.36051 5.55869 116.01 GPRESSAVG: 4121600 -61.7657 -8.34812 3.63801 -6.5653 -87.9719 5.32635 8.79405 5.66905 114.902 TIMING: 4121600 CPU: 12370, 0.00301921/step Wall: 12370, 0.00301921/step, 0.736686 hours remaining, 207.175781 MB of memory in use. ENERGY: 4121600 758.4795 2125.6218 1933.1963 110.3385 -206683.8247 18235.2782 0.0000 0.0000 34296.8113 -149224.0990 299.5226 -183520.9103 -149128.1634 298.8341 77.9385 112.9471 558958.2086 -11.7613 -11.6117 PRESSURE: 4121800 -190.887 -37.8841 -60.0373 -37.8847 31.5294 29.2938 -60.0375 29.2943 215.962 GPRESSURE: 4121800 -129.378 -15.4294 -35.4779 -42.8989 57.441 20.1345 -27.6802 12.7267 229.247 PRESSAVG: 4121800 4.666 -16.5856 25.0753 -16.5855 -34.7513 -13.4301 25.0754 -13.4301 23.0213 GPRESSAVG: 4121800 4.45874 -16.1456 27.8765 -15.8861 -35.2818 -12.8168 21.4083 -13.5422 23.884 TIMING: 4121800 CPU: 12370.6, 0.00304333/step Wall: 12370.6, 0.00304333/step, 0.742403 hours remaining, 207.175781 MB of memory in use. ENERGY: 4121800 752.0423 2085.5913 1931.8693 101.0332 -206307.2091 17920.5116 0.0000 0.0000 34319.7188 -149196.4427 299.7226 -183516.1615 -149099.1817 298.6196 18.8682 52.4367 558125.4004 -2.3547 -2.3130 PRESSURE: 4122000 -157.881 -43.8553 116.025 -43.8537 6.41669 -98.3769 116.024 -98.3776 312.709 GPRESSURE: 4122000 -145.29 -1.10691 89.7141 -135.642 38.866 -92.0995 135.709 -25.4544 370.359 PRESSAVG: 4122000 -4.46894 -38.0474 -9.28092 -38.0474 -23.5888 0.941939 -9.28104 0.941856 43.6321 GPRESSAVG: 4122000 -4.30136 -37.0859 -9.08133 -38.7749 -22.5453 0.505736 -5.95715 1.98949 42.8021 TIMING: 4122000 CPU: 12371.2, 0.00305721/step Wall: 12371.2, 0.00305721/step, 0.74562 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: 4122000 739.2785 2035.5958 1958.4775 120.4809 -206004.6747 17814.6371 0.0000 0.0000 34142.5505 -149193.6544 298.1754 -183336.2050 -149093.6209 298.7268 53.7482 87.9785 557463.2659 5.1915 5.3185 PRESSURE: 4122200 42.368 -29.2438 30.3116 -29.2438 -10.682 -89.6267 30.3113 -89.6261 82.5196 GPRESSURE: 4122200 124.746 16.4582 24.4835 -14.4914 -0.696152 -79.3166 118.623 -76.903 85.4006 PRESSAVG: 4122200 97.1899 3.7203 -3.88564 3.72035 -42.6232 -15.2546 -3.88569 -15.2546 -27.8533 GPRESSAVG: 4122200 96.3083 3.90864 -4.70902 4.08172 -42.9602 -15.3147 -4.33657 -14.9563 -26.2524 TIMING: 4122200 CPU: 12371.8, 0.0030663/step Wall: 12371.8, 0.0030663/step, 0.747666 hours remaining, 207.175781 MB of memory in use. ENERGY: 4122200 766.0697 2074.0050 1926.6156 114.3458 -206255.4056 17947.0808 0.0000 0.0000 34193.1064 -149234.1822 298.6169 -183427.2886 -149133.1763 298.4634 38.0685 69.8167 558323.6810 8.9044 9.0319 PRESSURE: 4122400 -69.3349 116.862 36.8195 116.863 17.28 19.5787 36.8196 19.5778 -9.99775 GPRESSURE: 4122400 -58.4306 -24.6192 35.2549 153.59 81.5394 -44.2138 -5.35399 115.579 13.3581 PRESSAVG: 4122400 1.36637 17.6331 58.2085 17.6332 5.54657 1.32889 58.2084 1.32895 10.1613 GPRESSAVG: 4122400 2.55005 16.5699 59.0084 19.261 5.90801 2.22856 57.5277 -1.03807 8.77502 TIMING: 4122400 CPU: 12372.4, 0.00304699/step Wall: 12372.4, 0.00304699/step, 0.742787 hours remaining, 207.175781 MB of memory in use. ENERGY: 4122400 724.1988 2088.4338 1924.1309 104.9676 -206063.8259 17943.0028 0.0000 0.0000 34182.7518 -149096.3402 298.5265 -183279.0920 -148998.3279 298.7597 -20.6842 12.1556 560215.2739 5.6914 5.7444 PRESSURE: 4122600 -164.517 94.0943 -67.5925 94.0953 -294.374 30.6013 -67.593 30.6017 -300.827 GPRESSURE: 4122600 -233.069 -13.503 -51.1842 133.496 -214.44 -42.2447 -89.0388 74.5291 -220.239 PRESSAVG: 4122600 -15.8551 34.4295 25.5532 34.4294 33.7868 24.2988 25.5532 24.2988 -10.7593 GPRESSAVG: 4122600 -16.3206 36.9143 24.9392 32.1719 32.2799 23.9252 27.173 24.7656 -9.04209 TIMING: 4122600 CPU: 12373.1, 0.00307409/step Wall: 12373.1, 0.00307409/step, 0.749225 hours remaining, 207.175781 MB of memory in use. ENERGY: 4122600 768.4066 2114.1208 1933.9516 112.1858 -205924.0880 17553.7968 0.0000 0.0000 34557.5325 -148884.0938 301.7995 -183441.6263 -148786.3776 299.7060 -253.2393 -222.5828 559514.3395 2.3908 2.3057 PRESSURE: 4122800 -156.311 -167.197 15.7911 -167.197 -99.193 -35.4387 15.7921 -35.4387 204.78 GPRESSURE: 4122800 -86.5688 -179.084 61.5852 -95.0032 -62.5915 70.9047 -43.7608 -88.342 198.248 PRESSAVG: 4122800 -57.7015 21.8614 8.89713 21.8615 39.9194 30.3744 8.89706 30.3744 -12.6599 GPRESSAVG: 4122800 -57.751 21.5166 9.79956 20.4776 40.7094 30.217 8.12703 30.6853 -13.2467 TIMING: 4122800 CPU: 12373.7, 0.00306794/step Wall: 12373.7, 0.00306794/step, 0.747555 hours remaining, 207.175781 MB of memory in use. ENERGY: 4122800 731.3442 2066.5956 1938.9504 116.1745 -205798.0622 17766.9990 0.0000 0.0000 34325.2504 -148852.7482 299.7709 -183177.9986 -148748.5181 300.4035 -16.9078 16.3625 559767.0774 -10.1473 -10.0961 PRESSURE: 4123000 -237.034 -49.2489 -124.894 -49.2483 45.4432 21.2284 -124.894 21.2278 174.578 GPRESSURE: 4123000 -189.206 -112.613 -149.353 -19.0111 48.6435 13.9807 -114.172 -88.7391 215.475 PRESSAVG: 4123000 -50.1067 -45.9839 -42.058 -45.9839 13.1214 -0.327609 -42.0581 -0.327554 -1.07464 GPRESSAVG: 4123000 -49.7024 -47.9008 -43.5881 -42.5955 13.111 -0.0936294 -43.6878 -0.976319 -1.23094 TIMING: 4123000 CPU: 12374.3, 0.00305258/step Wall: 12374.3, 0.00305258/step, 0.743642 hours remaining, 207.175781 MB of memory in use. ENERGY: 4123000 733.3298 2059.3096 1941.5068 110.0818 -205573.5862 17762.3769 0.0000 0.0000 34310.6509 -148656.3304 299.6434 -182966.9813 -148563.8076 300.2159 -5.6712 24.9709 558824.7839 -12.6866 -12.6074 PRESSURE: 4123200 -67.495 18.8193 -68.5477 18.8185 -56.0642 21.0899 -68.5491 21.0891 51.8071 GPRESSURE: 4123200 -52.2483 35.7352 -48.8672 2.69404 -29.2951 -36.1776 -44.0074 -31.9013 103.812 PRESSAVG: 4123200 -12.9205 -23.7985 -32.304 -23.7986 -18.1597 -0.137231 -32.304 -0.137174 28.0713 GPRESSAVG: 4123200 -13.6225 -20.8847 -31.231 -24.9557 -17.0061 -2.96848 -30.8497 2.32395 27.4105 TIMING: 4123200 CPU: 12374.9, 0.00305033/step Wall: 12374.9, 0.00305033/step, 0.742926 hours remaining, 207.175781 MB of memory in use. ENERGY: 4123200 766.6503 2129.9780 1930.4481 101.2642 -205731.8444 17658.4737 0.0000 0.0000 34237.7397 -148907.2904 299.0067 -183145.0301 -148805.3120 300.3359 -23.9174 7.4228 560632.1851 -1.0030 -1.0727 PRESSURE: 4123400 -305.437 61.8383 35.5741 61.8385 -60.281 67.5218 35.5731 67.5215 -37.5672 GPRESSURE: 4123400 -230.253 -9.47589 10.9961 83.4063 -16.2421 44.0287 -3.45341 76.2966 -61.7965 PRESSAVG: 4123400 -35.7652 5.98236 35.1974 5.98243 -41.1187 3.12197 35.1975 3.12206 77.4916 GPRESSAVG: 4123400 -34.4722 5.85444 34.1826 5.77965 -42.4135 4.58053 35.6321 0.91043 77.9297 TIMING: 4123400 CPU: 12375.5, 0.00306483/step Wall: 12375.5, 0.00306483/step, 0.746286 hours remaining, 207.175781 MB of memory in use. ENERGY: 4123400 777.2554 2084.6995 1941.4561 105.4605 -205647.9426 17628.1885 0.0000 0.0000 34294.6125 -148816.2701 299.5034 -183110.8826 -148714.3300 300.0897 -134.4285 -102.7638 558824.1135 0.2026 0.3480 PRESSURE: 4123600 -238.251 16.0541 -59.9567 16.0549 -146.55 57.6073 -59.9565 57.6063 -64.3418 GPRESSURE: 4123600 -197.088 76.4722 -150.907 -60.9679 -132.689 28.2458 -6.48118 70.3492 -28.9401 PRESSAVG: 4123600 -3.16347 24.6745 33.4603 24.6745 -57.9505 -40.1785 33.4604 -40.1785 88.8623 GPRESSAVG: 4123600 -4.38801 23.0242 34.9465 25.6917 -58.0798 -40.8399 32.2347 -39.1884 89.5713 TIMING: 4123600 CPU: 12376.1, 0.00304195/step Wall: 12376.1, 0.00304195/step, 0.740546 hours remaining, 207.175781 MB of memory in use. ENERGY: 4123600 815.9865 2139.9252 1942.7264 108.2751 -206166.4005 17858.1957 0.0000 0.0000 34455.0527 -148846.2389 300.9045 -183301.2916 -148747.8124 300.2031 -149.7143 -119.5726 558118.1343 9.2494 9.0345 PRESSURE: 4123800 -139.436 -34.4471 31.6868 -34.4476 242.87 -59.3298 31.6877 -59.3314 159.112 GPRESSURE: 4123800 -51.6239 -42.6057 33.9993 -95.3537 200.894 -25.2785 -19.8325 -22.9287 204.132 PRESSAVG: 4123800 0.169575 -40.6306 53.4805 -40.6306 13.501 6.20632 53.4804 6.2064 -22.0525 GPRESSAVG: 4123800 1.13709 -40.5034 54.6993 -40.7647 13.4569 8.82244 51.5263 5.42821 -22.7355 TIMING: 4123800 CPU: 12376.7, 0.00303981/step Wall: 12376.7, 0.00303981/step, 0.739856 hours remaining, 207.175781 MB of memory in use. ENERGY: 4123800 777.6560 2158.4202 1935.2927 122.8049 -206428.6508 18085.4753 0.0000 0.0000 34474.7889 -148874.2128 301.0769 -183349.0018 -148776.0230 299.5303 87.5154 117.8007 558700.2007 -2.7940 -2.7138 PRESSURE: 4124000 193.46 -35.4556 49.9678 -35.4564 -149.681 153.409 49.9683 153.408 204.702 GPRESSURE: 4124000 220.993 -81.5954 88.7529 37.5841 -75.6012 137.359 2.71894 207.757 205.222 PRESSAVG: 4124000 -31.4802 -16.3139 20.3982 -16.3138 51.98 -6.02213 20.3982 -6.0222 -25.6582 GPRESSAVG: 4124000 -31.9269 -16.1403 19.1112 -16.0729 51.7595 -7.07156 21.2737 -4.65085 -24.8918 TIMING: 4124000 CPU: 12377.3, 0.00304131/step Wall: 12377.3, 0.00304131/step, 0.740051 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: 4124000 779.4165 2077.7150 1929.5430 134.1744 -206036.0753 18020.5302 0.0000 0.0000 34280.2973 -148814.3989 299.3784 -183094.6962 -148718.0969 300.4199 82.8270 116.8711 558577.2414 -1.7195 -1.6864 PRESSURE: 4124200 -125.917 -1.47414 66.6169 -1.47464 -37.1449 -157.605 66.6167 -157.605 -229.866 GPRESSURE: 4124200 -79.0142 50.5808 20.4624 -76.6929 -16.6912 -160.287 105.845 -136.08 -199.862 PRESSAVG: 4124200 3.20203 18.1132 -11.3866 18.1132 -9.39264 -20.3886 -11.3865 -20.3887 36.3616 GPRESSAVG: 4124200 2.90204 18.313 -10.931 18.01 -8.42367 -22.8354 -10.3148 -21.719 35.4287 TIMING: 4124200 CPU: 12377.9, 0.00302537/step Wall: 12377.9, 0.00302537/step, 0.736005 hours remaining, 207.175781 MB of memory in use. ENERGY: 4124200 739.8338 2077.9203 1937.7617 119.9640 -205711.2304 17663.8906 0.0000 0.0000 34344.7677 -148827.0923 299.9414 -183171.8601 -148737.6425 299.4949 -130.9759 -98.5225 559557.7768 10.0570 9.9690 LDB: ============= START OF LOAD BALANCING ============== 12381.4 LDB: ============== END OF LOAD BALANCING =============== 12381.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12381.4 LDB: ============= START OF LOAD BALANCING ============== 12381.7 LDB: Largest compute 4820 load 0.024751 is 20.9% of average load 0.118146 LDB: Average compute 0.001711 is 1.4% of average load 0.118146 LDB: TIME 12381.7 LOAD: AVG 0.118146 MAX 0.222267 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.625 MB LDB: TIME 12381.7 LOAD: AVG 0.118146 MAX 0.222267 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.824 MB LDB: TIME 12381.7 LOAD: AVG 0.118146 MAX 0.222267 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.824 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12381.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12381.7 PRESSURE: 4124400 58.7244 -41.4135 144.617 -41.4137 -186.873 13.5321 144.617 13.5326 128.063 GPRESSURE: 4124400 121.359 -11.995 153.973 -83.2293 -130.265 -64.0356 108.681 -15.1596 98.5884 PRESSAVG: 4124400 25.6555 34.2269 -5.62103 34.2269 -23.2971 4.81736 -5.62112 4.81734 8.51496 GPRESSAVG: 4124400 25.7921 34.5198 -5.42317 32.9842 -23.7827 5.90045 -6.70639 4.33273 9.05391 TIMING: 4124400 CPU: 12378.6, 0.00309374/step Wall: 12378.6, 0.00309374/step, 0.752467 hours remaining, 209.363281 MB of memory in use. ENERGY: 4124400 725.8432 2129.5071 1914.6983 107.3686 -206051.5083 17895.0587 0.0000 0.0000 34260.9317 -149018.1007 299.2092 -183279.0324 -148917.8433 300.2490 -0.0285 29.8939 558912.5253 3.6244 3.6877 PRESSURE: 4124600 347.443 -6.22456 34.1096 -6.22532 35.8876 -6.50437 34.1094 -6.50374 150.36 GPRESSURE: 4124600 452.569 1.76203 95.284 -25.5444 5.22372 -66.3167 24.4639 67.3161 168.195 PRESSAVG: 4124600 42.0637 42.3989 12.6574 42.399 -5.50794 -48.711 12.6575 -48.711 -22.63 GPRESSAVG: 4124600 40.8673 41.8668 12.0238 42.9803 -4.94013 -48.7627 13.807 -47.8893 -21.5961 TIMING: 4124600 CPU: 12379.2, 0.00305724/step Wall: 12379.2, 0.00305724/step, 0.743419 hours remaining, 209.363281 MB of memory in use. ENERGY: 4124600 749.6354 2085.3012 1924.9202 121.7448 -206364.4910 18210.7883 0.0000 0.0000 34204.8393 -149067.2618 298.7194 -183272.1011 -148972.7140 299.9617 177.8970 208.6626 557568.1636 4.6419 4.7770 PRESSURE: 4124800 -60.2857 97.5288 -122.497 97.5285 -200.873 135.295 -122.497 135.295 -147.794 GPRESSURE: 4124800 -6.22613 81.7813 -105.932 185.554 -196.83 153.083 -134.599 43.0569 -118.633 PRESSAVG: 4124800 37.8943 10.8282 -18.1989 10.8282 23.9628 -31.725 -18.1988 -31.7249 -70.3606 GPRESSAVG: 4124800 37.8992 11.6153 -19.4761 11.4 24.143 -33.3452 -17.1612 -30.6104 -70.8984 TIMING: 4124800 CPU: 12379.8, 0.00304204/step Wall: 12379.8, 0.00304204/step, 0.739553 hours remaining, 209.363281 MB of memory in use. ENERGY: 4124800 750.0473 2096.4203 1911.7003 110.8511 -206096.7768 17752.4131 0.0000 0.0000 34224.6350 -149250.7097 298.8922 -183475.3447 -149154.2028 299.2870 -136.3174 -107.2295 559017.4013 -2.8345 -2.9520 PRESSURE: 4125000 -273.426 -97.4205 -113.297 -97.4221 -111.939 168.495 -113.297 168.494 15.2927 GPRESSURE: 4125000 -273.785 -96.8364 -164.808 -109.473 -91.1235 175.029 -165.307 229.438 85.1381 PRESSAVG: 4125000 13.8721 -10.5896 28.3032 -10.5896 5.20402 24.2826 28.3034 24.2825 20.5245 GPRESSAVG: 4125000 13.655 -10.836 30.2184 -11.4831 5.19696 25.5356 28.2155 22.2944 20.8442 TIMING: 4125000 CPU: 12380.4, 0.00305877/step Wall: 12380.4, 0.00305877/step, 0.743451 hours remaining, 209.363281 MB of memory in use. ENERGY: 4125000 756.3900 2050.9828 1949.0031 116.4521 -205953.4312 17608.9827 0.0000 0.0000 34164.8427 -149306.7778 298.3701 -183471.6204 -149213.1043 298.6586 -123.3575 -93.2569 557369.9041 13.2002 13.2321 PRESSURE: 4125200 -0.744945 -134.677 128.085 -134.676 263.805 122.175 128.085 122.174 -101.011 GPRESSURE: 4125200 4.63274 -183.875 148.444 -151.786 307.995 166.042 103.791 137.635 -62.7619 PRESSAVG: 4125200 11.3693 -27.0348 3.15516 -27.0348 27.0971 9.12077 3.15511 9.12085 12.9481 GPRESSAVG: 4125200 11.4917 -27.3359 3.05467 -27.2194 27.2223 9.197 1.87048 10.2402 12.3502 TIMING: 4125200 CPU: 12381, 0.00304234/step Wall: 12381, 0.00304234/step, 0.739288 hours remaining, 209.363281 MB of memory in use. ENERGY: 4125200 731.2762 2133.6604 1940.5450 103.6762 -206293.1009 17803.4856 0.0000 0.0000 34125.7423 -149454.7152 298.0286 -183580.4575 -149359.0156 298.4312 54.0166 83.2887 556675.7457 17.1381 17.0214 PRESSURE: 4125400 85.0461 100.737 -27.007 100.738 40.3863 85.7193 -27.0097 85.7199 -138.183 GPRESSURE: 4125400 90.4269 102.719 -13.1556 143.446 75.1828 52.5799 -17.8948 183.976 -79.3521 PRESSAVG: 4125400 -7.53306 -17.6426 -36.6105 -17.6425 5.40998 44.3765 -36.6106 44.3763 27.6822 GPRESSAVG: 4125400 -8.40259 -17.2645 -38.2307 -17.2413 5.99129 45.2082 -36.2028 43.5878 28.2104 TIMING: 4125400 CPU: 12381.6, 0.0030447/step Wall: 12381.6, 0.0030447/step, 0.739694 hours remaining, 209.363281 MB of memory in use. ENERGY: 4125400 751.8925 2026.9351 1925.9639 107.6805 -206309.0160 17751.3121 0.0000 0.0000 34195.8381 -149549.3938 298.6408 -183745.2319 -149455.7769 298.2452 -4.2502 28.7525 555571.8662 8.5197 8.5997 PRESSURE: 4125600 208.047 -31.9909 94.7525 -31.9919 84.3733 19.7491 94.753 19.7489 -20.8809 GPRESSURE: 4125600 231.158 -72.467 22.9072 -29.1365 104.846 -26.1701 116.582 68.8835 46.0811 PRESSAVG: 4125600 35.6422 48.2628 1.21806 48.2628 4.80899 39.539 1.218 39.539 -13.6204 GPRESSAVG: 4125600 37.032 49.0551 1.64646 49.826 4.91764 40.123 0.697553 39.7077 -15.3193 TIMING: 4125600 CPU: 12382.2, 0.0030313/step Wall: 12382.2, 0.0030313/step, 0.736269 hours remaining, 209.363281 MB of memory in use. ENERGY: 4125600 713.4377 2043.7286 1947.4720 111.3453 -206540.9219 18017.0212 0.0000 0.0000 34186.5846 -149521.3324 298.5599 -183707.9170 -149430.0140 298.0013 90.5132 127.3617 555847.1749 8.9436 8.8768 PRESSURE: 4125800 -219.682 68.9234 -87.4732 68.9239 20.5949 38.5908 -87.474 38.5921 -18.9363 GPRESSURE: 4125800 -141.564 86.4917 -65.9593 93.3951 29.9637 66.4447 -70.407 36.2526 -0.322907 PRESSAVG: 4125800 0.365637 -21.2087 13.7813 -21.2086 4.65003 39.0199 13.7813 39.0198 -15.9528 GPRESSAVG: 4125800 0.801912 -23.6539 13.1088 -21.0322 4.28834 36.0171 15.334 41.2354 -15.7422 TIMING: 4125800 CPU: 12382.8, 0.00304816/step Wall: 12382.8, 0.00304816/step, 0.740196 hours remaining, 209.363281 MB of memory in use. ENERGY: 4125800 733.1702 2057.1981 1961.3772 117.0101 -206523.1630 17678.2176 0.0000 0.0000 34394.2709 -149581.9190 300.3737 -183976.1899 -149491.2006 297.7939 -72.6743 -37.3077 555136.6289 -3.6457 -3.5507 PRESSURE: 4126000 160.771 39.0139 57.4355 39.0138 383.052 141.335 57.4353 141.335 58.3515 GPRESSURE: 4126000 159.172 91.2509 50.5383 -18.3521 398.918 160.133 -39.1944 105.133 132.221 PRESSAVG: 4126000 -34.8113 9.76284 -33.1679 9.76285 -26.7686 71.5448 -33.1678 71.5448 39.5525 GPRESSAVG: 4126000 -34.7646 9.59058 -33.4806 8.71506 -26.7034 74.1383 -34.7673 69.1363 39.9144 TIMING: 4126000 CPU: 12383.4, 0.00305491/step Wall: 12383.4, 0.00305491/step, 0.741664 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: 4126000 765.6833 2042.2562 1946.8331 106.0849 -206429.1960 18148.0519 0.0000 0.0000 34145.9839 -149274.3025 298.2054 -183420.2865 -149180.2931 297.9653 200.7250 230.1038 557160.4969 -7.3425 -7.1845 PRESSURE: 4126200 -25.5038 -11.853 -121.36 -11.8533 120.816 61.4911 -121.36 61.4912 117.796 GPRESSURE: 4126200 -20.7181 4.04456 -149.115 43.0483 106.828 71.6348 -119.226 113.21 218.113 PRESSAVG: 4126200 -30.9534 24.3591 -23.1223 24.3591 38.5875 50.9778 -23.1221 50.9777 -39.7383 GPRESSAVG: 4126200 -31.8872 24.2667 -21.3443 25.8209 39.7582 48.3377 -22.9676 53.8758 -40.0504 TIMING: 4126200 CPU: 12384, 0.00306673/step Wall: 12384, 0.00306673/step, 0.744364 hours remaining, 209.363281 MB of memory in use. ENERGY: 4126200 726.0747 2056.1575 1924.4360 116.0208 -206230.1335 17983.6991 0.0000 0.0000 34240.1308 -149183.6144 299.0276 -183423.7453 -149089.0881 299.2073 71.0361 101.4076 557746.5876 -10.7014 -10.7265 PRESSURE: 4126400 -194.335 -129.654 -229.811 -129.654 -251.642 134.385 -229.812 134.384 -109.817 GPRESSURE: 4126400 -185.281 -62.5251 -268.793 -168.805 -196.767 12.3644 -122.624 151.431 -84.7232 PRESSAVG: 4126400 -16.5914 -42.5849 0.410505 -42.5848 -7.35494 35.3961 0.410493 35.3961 26.0413 GPRESSAVG: 4126400 -15.8045 -42.4015 0.34331 -45.1819 -7.47465 38.3553 -0.223005 34.2073 25.3881 TIMING: 4126400 CPU: 12384.7, 0.00306558/step Wall: 12384.7, 0.00306558/step, 0.743914 hours remaining, 209.363281 MB of memory in use. ENERGY: 4126400 789.8870 2092.5070 1937.6417 115.0178 -206091.4156 17645.8616 0.0000 0.0000 34492.7244 -149017.7761 301.2335 -183510.5005 -148921.7845 300.1799 -185.2649 -155.5905 557080.5467 0.6983 0.7030 PRESSURE: 4126600 117.502 8.60514 211.88 8.60639 6.95972 75.295 211.879 75.2951 331.014 GPRESSURE: 4126600 155.956 -36.1594 201.603 78.5262 58.8687 81.6501 192.94 89.844 334.47 PRESSAVG: 4126600 -38.0401 1.05707 -38.6833 1.05701 -13.6893 40.452 -38.6833 40.4522 17.6564 GPRESSAVG: 4126600 -38.2642 1.93562 -38.582 3.93775 -13.7129 41.8595 -38.2561 38.7886 18.0277 TIMING: 4126600 CPU: 12385.3, 0.00307623/step Wall: 12385.3, 0.00307623/step, 0.746327 hours remaining, 209.417969 MB of memory in use. ENERGY: 4126600 681.0704 2099.6074 1934.4049 112.3768 -205915.7014 17742.8557 0.0000 0.0000 34372.3352 -148973.0510 300.1822 -183345.3862 -148875.2239 300.0905 151.8253 183.0981 557925.3100 -11.3577 -11.3165 PRESSURE: 4126800 -159.237 52.7095 125.248 52.7094 -337.573 -57.6375 125.248 -57.6377 -157.651 GPRESSURE: 4126800 -136.854 57.7355 177.625 34.851 -325.071 6.76558 130.062 -115.109 -77.996 PRESSAVG: 4126800 -27.1636 28.9109 6.82741 28.9109 -41.7883 18.5034 6.82736 18.5033 51.2452 GPRESSAVG: 4126800 -26.4981 28.5072 6.59827 26.4327 -41.9007 17.9089 7.91277 18.6631 51.0426 TIMING: 4126800 CPU: 12385.9, 0.00303588/step Wall: 12385.9, 0.00303588/step, 0.736369 hours remaining, 209.417969 MB of memory in use. ENERGY: 4126800 748.8891 2089.7963 1942.9889 112.8641 -205494.4475 17299.3875 0.0000 0.0000 34197.2334 -149103.2883 298.6529 -183300.5216 -148999.3357 299.0991 -218.1540 -179.9738 558612.7916 -5.9023 -5.7854 PRESSURE: 4127000 67.8738 98.8943 108.646 98.8941 368.04 -1.02161 108.646 -1.02245 -207.379 GPRESSURE: 4127000 82.5405 98.4492 122.263 180.917 397.913 -24.9413 37.5821 26.2852 -155.668 PRESSAVG: 4127000 2.11537 55.4947 -1.27804 55.4946 -50.5007 4.61568 -1.27804 4.61563 19.3092 GPRESSAVG: 4127000 1.38611 55.3247 -0.625578 57.7398 -49.7359 2.17422 -4.36783 7.12797 19.9608 TIMING: 4127000 CPU: 12386.5, 0.00304081/step Wall: 12386.5, 0.00304081/step, 0.737397 hours remaining, 209.417969 MB of memory in use. ENERGY: 4127000 759.0023 2128.5477 1921.8698 111.1869 -205947.0841 17713.1513 0.0000 0.0000 34257.2708 -149056.0552 299.1773 -183313.3260 -148963.0498 298.8470 76.1781 108.2619 558283.9335 -9.6921 -9.4630 PRESSURE: 4127200 47.0037 -78.487 32.9741 -78.4851 46.4367 -0.290839 32.974 -0.291413 -142.537 GPRESSURE: 4127200 52.7396 -25.099 49.7459 -120.985 111.817 25.7182 103.018 -31.8978 -121.209 PRESSAVG: 4127200 8.78633 21.3875 -14.0391 21.3874 42.0108 70.2573 -14.0391 70.2573 -20.2455 GPRESSAVG: 4127200 9.30304 22.0455 -14.4904 19.5809 41.6189 70.255 -10.4688 68.506 -20.8476 TIMING: 4127200 CPU: 12387.1, 0.00304255/step Wall: 12387.1, 0.00304255/step, 0.73765 hours remaining, 209.417969 MB of memory in use. ENERGY: 4127200 753.7855 2107.8892 1955.1942 120.8385 -206094.8954 17784.9277 0.0000 0.0000 34293.4504 -149078.8099 299.4932 -183372.2603 -148982.4237 299.4825 -16.3655 14.4490 557421.0033 10.1839 10.0248 PRESSURE: 4127400 -52.0212 -47.3555 -11.7821 -47.3558 -210.906 -31.4249 -11.7832 -31.4258 101.479 GPRESSURE: 4127400 -16.7827 -39.5706 -25.7424 -26.4475 -160.537 39.2765 16.3422 -53.4516 127.112 PRESSAVG: 4127400 65.7529 -9.94246 -8.59039 -9.94254 -78.0139 9.86127 -8.59044 9.86139 -16.1095 GPRESSAVG: 4127400 66.8955 -9.52248 -5.8019 -11.2947 -79.1569 10.8407 -11.9371 9.84077 -15.635 TIMING: 4127400 CPU: 12387.7, 0.00302535/step Wall: 12387.7, 0.00302535/step, 0.73331 hours remaining, 209.417969 MB of memory in use. ENERGY: 4127400 718.2876 2132.7659 1953.5235 115.1731 -206130.0018 17731.8848 0.0000 0.0000 34287.3234 -149191.0433 299.4397 -183478.3668 -149095.9273 299.4127 -53.8161 -16.7359 557835.9748 -9.4568 -9.2988 PRESSURE: 4127600 -165.507 -9.95708 -35.9891 -9.95665 65.6997 162.125 -35.9892 162.127 -10.3894 GPRESSURE: 4127600 -123.153 15.136 -102.053 18.8781 48.9529 170.509 -46.0496 196.796 58.029 PRESSAVG: 4127600 23.0547 7.31737 -11.826 7.31745 -32.1049 33.5558 -11.8261 33.5559 13.3547 GPRESSAVG: 4127600 21.517 9.67617 -14.494 7.57252 -32.1984 31.0407 -10.2445 35.3987 15.1133 TIMING: 4127600 CPU: 12388.3, 0.00302977/step Wall: 12388.3, 0.00302977/step, 0.734213 hours remaining, 209.417969 MB of memory in use. ENERGY: 4127600 729.4742 2051.4364 1930.6943 107.4628 -206556.7519 18082.7846 0.0000 0.0000 34368.3618 -149286.5379 300.1475 -183654.8997 -149186.6598 299.4114 -36.7321 -5.3905 556868.4354 1.4349 1.4773 PRESSURE: 4127800 124.642 139.108 -164.906 139.107 56.6313 -157.169 -164.906 -157.17 164.705 GPRESSURE: 4127800 132.416 118.055 -192.806 99.9025 93.6272 -51.6058 -58.5319 -218.294 216.145 PRESSAVG: 4127800 23.6334 24.4249 -6.79632 24.4249 -21.8428 32.1804 -6.79635 32.1803 14.93 GPRESSAVG: 4127800 24.7964 23.347 -7.10404 24.4029 -20.3427 31.9368 -6.03977 31.6368 12.607 TIMING: 4127800 CPU: 12388.9, 0.0030237/step Wall: 12388.9, 0.0030237/step, 0.732575 hours remaining, 209.417969 MB of memory in use. ENERGY: 4127800 736.3522 2030.2405 1904.0992 112.3569 -206329.8474 18047.8469 0.0000 0.0000 34260.5579 -149238.3938 299.2060 -183498.9517 -149140.1768 298.9813 115.3262 147.3962 556780.9176 5.5735 5.6869 PRESSURE: 4128000 68.9749 -10.1609 -23.1618 -10.1609 -36.8043 -5.67085 -23.1616 -5.67106 160.139 GPRESSURE: 4128000 119.148 -92.8047 28.7932 16.9139 27.1907 24.2133 52.0343 -75.9457 148.218 PRESSAVG: 4128000 31.8284 -1.48007 -16.362 -1.48006 -6.12024 8.94206 -16.362 8.94215 -4.818 GPRESSAVG: 4128000 31.8332 -3.31879 -15.9788 -0.155285 -6.92923 10.1403 -17.8422 7.69521 -3.98109 TIMING: 4128000 CPU: 12389.5, 0.00305611/step Wall: 12389.5, 0.00305611/step, 0.740259 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: 4128000 740.6809 2063.4792 1927.1352 111.9221 -206286.7101 17945.6488 0.0000 0.0000 34284.9308 -149212.9130 299.4188 -183497.8439 -149119.6573 298.8375 64.1031 98.1856 557810.3652 6.9634 6.9743 PRESSURE: 4128200 19.7563 153.465 64.5971 153.464 10.0914 -43.1227 64.5958 -43.1217 -185.93 GPRESSURE: 4128200 30.0409 116.103 19.6836 150.399 76.7501 -33.5442 90.5441 -28.7509 -149.894 PRESSAVG: 4128200 72.6724 26.4167 20.1104 26.4168 -39.6013 28.2277 20.1104 28.2279 -36.9941 GPRESSAVG: 4128200 72.4585 28.7552 20.6675 24.0366 -39.5937 28.9941 21.1089 29.0789 -36.6956 TIMING: 4128200 CPU: 12390.1, 0.0030499/step Wall: 12390.1, 0.0030499/step, 0.738584 hours remaining, 209.417969 MB of memory in use. ENERGY: 4128200 758.7575 2083.9458 1925.6670 115.1925 -206220.6446 17867.9472 0.0000 0.0000 34378.5773 -149090.5572 300.2367 -183469.1345 -148988.6725 299.4384 -52.0273 -14.3676 558120.2030 -1.3077 -1.2769 LDB: ============= START OF LOAD BALANCING ============== 12393.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12393.6 LDB: =============== DONE WITH MIGRATION ================ 12393.6 LDB: ============= START OF LOAD BALANCING ============== 12393.9 LDB: Largest compute 4820 load 0.023689 is 20.0% of average load 0.118215 LDB: Average compute 0.001715 is 1.5% of average load 0.118215 LDB: TIME 12393.9 LOAD: AVG 0.118215 MAX 0.223571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.387 MB LDB: TIME 12393.9 LOAD: AVG 0.118215 MAX 0.223571 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.449 MB LDB: TIME 12393.9 LOAD: AVG 0.118215 MAX 0.223571 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.449 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12393.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12393.9 PRESSURE: 4128400 -111.349 22.5767 3.22026 22.5766 -21.4222 -51.5378 3.22087 -51.5388 -28.3472 GPRESSURE: 4128400 -34.9213 -25.0699 11.6781 56.8715 -38.86 -46.7768 -29.9826 -67.9868 15.7766 PRESSAVG: 4128400 22.0908 -71.1829 -13.634 -71.1829 35.105 40.2285 -13.634 40.2283 -55.8112 GPRESSAVG: 4128400 21.264 -74.3459 -13.7617 -69.5884 35.472 37.7887 -15.8179 41.7458 -55.472 TIMING: 4128400 CPU: 12390.8, 0.00310699/step Wall: 12390.8, 0.00310699/step, 0.752237 hours remaining, 207.609375 MB of memory in use. ENERGY: 4128400 766.9562 2065.7228 1949.0082 116.4907 -205992.3900 17747.3625 0.0000 0.0000 34298.1002 -149048.7494 299.5338 -183346.8497 -148945.4762 299.7110 -53.7063 -19.3349 556190.2216 0.4615 0.4213 PRESSURE: 4128600 176.094 -124.879 -250.594 -124.879 24.0368 15.3476 -250.593 15.3463 28.9834 GPRESSURE: 4128600 176.612 -160.608 -242.733 -95.3998 26.0143 -69.0211 -220.48 97.4728 115.597 PRESSAVG: 4128600 -32.3266 -33.3244 -36.1308 -33.3244 45.5947 -10.0402 -36.1309 -10.0401 -18.8371 GPRESSAVG: 4128600 -32.7272 -31.7217 -36.4145 -35.2359 45.6368 -9.45968 -32.4576 -10.7964 -17.9894 TIMING: 4128600 CPU: 12391.4, 0.00303889/step Wall: 12391.4, 0.00303889/step, 0.735581 hours remaining, 207.609375 MB of memory in use. ENERGY: 4128600 722.2584 2109.7621 1934.9757 111.8591 -205900.8134 17687.2988 0.0000 0.0000 34325.3681 -149009.2912 299.7720 -183334.6594 -148909.2478 299.5867 76.3713 106.0745 556066.8608 -1.8563 -1.6932 PRESSURE: 4128800 294.304 79.4772 36.6575 79.4786 193.914 96.7129 36.6558 96.7119 79.7632 GPRESSURE: 4128800 332.607 98.6302 44.1193 32.1854 267.705 88.2347 39.7967 42.4986 62.365 PRESSAVG: 4128800 53.7613 10.6462 -1.3041 10.6461 25.1845 -42.6834 -1.30411 -42.6834 -51.3755 GPRESSAVG: 4128800 52.7718 11.1454 -0.264176 12.7353 25.8394 -38.4858 -4.80024 -45.0792 -50.7725 TIMING: 4128800 CPU: 12392, 0.00302089/step Wall: 12392, 0.00302089/step, 0.731055 hours remaining, 207.609375 MB of memory in use. ENERGY: 4128800 717.7760 2105.5761 1948.9560 119.8235 -206707.6748 18057.6358 0.0000 0.0000 34621.7917 -149136.1158 302.3607 -183757.9075 -149042.5885 299.6857 189.3273 220.8923 555807.1593 9.1901 9.2796 PRESSURE: 4129000 182.062 9.83953 -88.8955 9.84009 382.794 58.3297 -88.895 58.3301 -43.7157 GPRESSURE: 4129000 214.769 8.83272 -64.5349 45.8318 433.25 110.699 -64.798 -58.8665 -27.7493 PRESSAVG: 4129000 -8.94202 -14.026 -6.04448 -14.0259 57.7822 19.1608 -6.04452 19.1608 -95.3293 GPRESSAVG: 4129000 -6.74333 -13.1513 -5.75225 -16.1387 57.5783 14.0851 -4.59807 21.5059 -97.6722 TIMING: 4129000 CPU: 12392.6, 0.00306144/step Wall: 12392.6, 0.00306144/step, 0.740699 hours remaining, 207.609375 MB of memory in use. ENERGY: 4129000 737.8700 2097.5997 1907.2038 115.4591 -206050.5791 17844.7727 0.0000 0.0000 34202.2886 -149145.3852 298.6971 -183347.6738 -149040.3909 299.4445 173.7135 206.7566 555688.4302 -15.4964 -15.6124 PRESSURE: 4129200 -118.449 -26.2489 -141.245 -26.2493 -65.5215 156.516 -141.244 156.516 133.134 GPRESSURE: 4129200 -89.7916 5.61979 -179.596 -76.2631 -32.2982 139.18 -170.676 167.296 176.141 PRESSAVG: 4129200 -21.8522 -4.96124 13.1815 -4.96115 8.33078 7.30396 13.1816 7.30395 -9.25734 GPRESSAVG: 4129200 -22.6514 -6.62069 13.2431 -3.35764 9.2255 10.1979 12.1592 7.20067 -9.41555 TIMING: 4129200 CPU: 12393.2, 0.00304577/step Wall: 12393.2, 0.00304577/step, 0.736738 hours remaining, 207.730469 MB of memory in use. ENERGY: 4129200 774.8128 2029.4616 1941.8006 112.5423 -206139.4897 17842.4200 0.0000 0.0000 34255.6412 -149182.8113 299.1630 -183438.4525 -149088.5442 299.2204 -16.9456 18.0171 557271.4705 -7.5929 -7.6138 PRESSURE: 4129400 4.47592 -44.2268 -96.98 -44.2254 219.167 -38.6255 -96.9788 -38.6255 -156.891 GPRESSURE: 4129400 -5.99702 -103.275 49.4556 -8.81147 323.39 0.468408 -217.061 -89.7531 -148.169 PRESSAVG: 4129400 -35.4372 -16.3721 -38.2988 -16.372 58.4917 43.9303 -38.2988 43.9303 -15.9417 GPRESSAVG: 4129400 -35.6342 -16.4972 -39.2674 -16.6966 57.7063 43.7735 -38.2322 41.8036 -14.8651 TIMING: 4129400 CPU: 12393.8, 0.00304801/step Wall: 12393.8, 0.00304801/step, 0.73711 hours remaining, 207.730469 MB of memory in use. ENERGY: 4129400 763.6498 2148.4361 1939.5150 124.1752 -205974.7761 17744.5581 0.0000 0.0000 34204.3970 -149050.0450 298.7155 -183254.4420 -148950.4825 299.3837 22.2507 56.4083 558636.7251 2.3710 2.4023 PRESSURE: 4129600 181.846 108.684 -61.5289 108.684 160.525 130.83 -61.5285 130.83 333.427 GPRESSURE: 4129600 251.108 108.269 -8.00529 107.438 198.702 92.7475 -137.234 203.335 318.418 PRESSAVG: 4129600 7.20721 -9.62968 -24.8741 -9.62964 29.0093 32.5563 -24.8739 32.5563 -58.8146 GPRESSAVG: 4129600 7.68792 -7.4256 -24.6033 -9.46876 29.4112 31.5484 -24.1222 34.3264 -60.3572 TIMING: 4129600 CPU: 12394.4, 0.00304718/step Wall: 12394.4, 0.00304718/step, 0.736739 hours remaining, 207.730469 MB of memory in use. ENERGY: 4129600 768.8577 2144.1422 1930.3519 131.5767 -206457.5518 18164.7229 0.0000 0.0000 34174.7899 -149143.1105 298.4569 -183317.9004 -149050.1980 300.2595 225.2659 256.0760 556805.5791 -7.5327 -7.7527 PRESSURE: 4129800 -247.224 -35.6737 -0.0350962 -35.6736 -129.722 37.3381 -0.0350916 37.3387 -251.456 GPRESSURE: 4129800 -267.263 -79.2454 -63.9041 -99.9183 -76.4561 100.739 56.6878 3.05691 -181.919 PRESSAVG: 4129800 -13.982 -38.5304 9.45057 -38.5303 31.5594 -55.5751 9.4505 -55.5752 -6.29856 GPRESSAVG: 4129800 -13.8895 -39.4425 10.1219 -36.4116 31.6036 -55.2224 9.98453 -55.1622 -6.64532 TIMING: 4129800 CPU: 12395, 0.00303551/step Wall: 12395, 0.00303551/step, 0.73375 hours remaining, 207.730469 MB of memory in use. ENERGY: 4129800 760.0909 2093.4686 1963.8860 125.8914 -205682.4818 17499.9845 0.0000 0.0000 34340.9562 -148898.2042 299.9081 -183239.1604 -148802.5351 299.8364 -209.4673 -175.2128 558172.6273 3.7596 3.6896 PRESSURE: 4130000 -193.705 -86.1855 56.7028 -86.1853 -335.043 3.19011 56.7011 3.18992 -76.2407 GPRESSURE: 4130000 -77.6502 -28.1469 146.696 -70.7374 -336.412 58.3638 -41.8295 -104.839 -79.5514 PRESSAVG: 4130000 -4.95362 -66.2784 -39.7362 -66.2784 -30.7003 -29.9345 -39.7362 -29.9345 35.6952 GPRESSAVG: 4130000 -4.30563 -64.9064 -38.8291 -69.1489 -31.8877 -31.3415 -39.7375 -27.9166 36.3269 TIMING: 4130000 CPU: 12395.6, 0.00304016/step Wall: 12395.6, 0.00304016/step, 0.734706 hours remaining, 207.730469 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: 4130000 757.3147 2104.7489 1971.6887 110.7050 -205640.5180 17456.6043 0.0000 0.0000 34438.4157 -148801.0406 300.7592 -183239.4563 -148706.4258 300.7215 -201.6629 -164.5379 558134.9667 0.0137 0.0445 PRESSURE: 4130200 -184.95 -131.137 -109.911 -131.138 9.02641 29.7372 -109.912 29.7381 79.268 GPRESSURE: 4130200 -126.031 -164.116 -71.1729 -44.9168 46.3277 10.9412 -153.786 14.7938 85.026 PRESSAVG: 4130200 -8.55486 11.5171 -19.1915 11.5171 -42.1268 6.78149 -19.1915 6.78152 1.42305 GPRESSAVG: 4130200 -9.82319 9.18991 -21.6863 12.8648 -41.6161 7.83217 -21.8149 5.70814 1.11988 TIMING: 4130200 CPU: 12396.2, 0.00306072/step Wall: 12396.2, 0.00306072/step, 0.739503 hours remaining, 207.730469 MB of memory in use. ENERGY: 4130200 722.4383 2103.6986 1964.2480 119.8116 -205775.2209 17598.9109 0.0000 0.0000 34290.4127 -148975.7007 299.4667 -183266.1134 -148876.5068 299.8769 -32.2186 1.7742 556675.3726 -16.4195 -16.7731 PRESSURE: 4130400 37.4673 141.408 -102.372 141.409 22.3831 62.1465 -102.37 62.1479 218.77 GPRESSURE: 4130400 111.415 108.776 -128.781 100.529 17.7482 106.525 -65.6136 40.6162 246.694 PRESSAVG: 4130400 -15.2966 -42.0525 -15.377 -42.0525 16.4968 44.1763 -15.3769 44.1765 -19.6595 GPRESSAVG: 4130400 -15.3924 -40.4203 -13.8294 -42.7427 16.2055 42.8418 -14.8686 44.5414 -19.3362 TIMING: 4130400 CPU: 12396.8, 0.00306583/step Wall: 12396.8, 0.00306583/step, 0.740568 hours remaining, 207.730469 MB of memory in use. ENERGY: 4130400 720.7712 2145.3587 1913.3336 110.2737 -206185.5423 17909.5406 0.0000 0.0000 34299.9547 -149086.3100 299.5500 -183386.2646 -148989.7463 299.4847 92.8736 125.2859 557860.3808 -6.1531 -6.1743 PRESSURE: 4130600 -122.828 -92.1534 -72.7134 -92.1523 -239.608 -44.0744 -72.7135 -44.0728 113.58 GPRESSURE: 4130600 -134.919 -28.9393 -19.508 -115.363 -217.141 -34.7538 -170.155 -25.549 219.208 PRESSAVG: 4130600 -1.01168 39.5266 19.8798 39.5267 8.03656 -50.3843 19.8798 -50.3842 -33.3179 GPRESSAVG: 4130600 -1.56559 37.4339 17.6984 41.0592 9.46613 -50.3098 20.1776 -50.5755 -34.0762 TIMING: 4130600 CPU: 12397.5, 0.00306034/step Wall: 12397.5, 0.00306034/step, 0.739072 hours remaining, 207.730469 MB of memory in use. ENERGY: 4130600 742.5235 2087.1166 1939.7357 111.5443 -206027.5753 17641.4970 0.0000 0.0000 34359.1757 -149145.9824 300.0672 -183505.1581 -149045.4761 299.6877 -82.9522 -44.2838 557112.7240 -8.7643 -8.7252 PRESSURE: 4130800 113.2 -89.7698 29.1371 -89.7695 -28.7869 -36.4452 29.1371 -36.4451 163.85 GPRESSURE: 4130800 143.136 -209.328 117.661 -84.8628 41.8322 -0.70206 -0.790677 -108.705 163.737 PRESSAVG: 4130800 -40.9336 -11.9647 -67.0744 -11.9647 -10.7926 -46.0663 -67.0746 -46.0665 71.3357 GPRESSAVG: 4130800 -39.977 -12.4661 -65.5204 -10.9173 -11.3712 -43.7684 -65.739 -48.0045 71.0808 TIMING: 4130800 CPU: 12398.1, 0.00305125/step Wall: 12398.1, 0.00305125/step, 0.736708 hours remaining, 207.730469 MB of memory in use. ENERGY: 4130800 749.7943 2085.8812 1931.0098 120.9877 -206279.2679 17908.9498 0.0000 0.0000 34264.5606 -149218.0844 299.2409 -183482.6451 -149120.7180 299.6878 82.7546 116.2349 556924.7424 6.5365 6.5775 PRESSURE: 4131000 -135.001 -22.1321 -38.003 -22.1332 91.2119 -72.8886 -38.0027 -72.8886 -203.204 GPRESSURE: 4131000 -65.2456 -51.0768 -16.9972 -48.0056 111.954 -79.7775 -16.9465 -60.3546 -191.813 PRESSAVG: 4131000 1.87413 -2.14125 27.8537 -2.14134 12.985 -2.87071 27.8537 -2.87064 -15.801 GPRESSAVG: 4131000 0.861133 -0.648855 27.9039 -3.76093 13.1221 -4.62199 28.819 -2.91672 -15.3386 TIMING: 4131000 CPU: 12398.7, 0.00306825/step Wall: 12398.7, 0.00306825/step, 0.740642 hours remaining, 207.730469 MB of memory in use. ENERGY: 4131000 771.9680 2063.7311 1949.8393 110.5282 -206059.7454 17816.1551 0.0000 0.0000 34062.5231 -149285.0006 297.4765 -183347.5237 -149188.9172 298.7430 -82.3310 -48.3680 558690.2252 -0.3140 -0.4518 PRESSURE: 4131200 143.428 46.1142 0.741306 46.112 -12.4852 61.4191 0.740688 61.4176 -336.805 GPRESSURE: 4131200 101.223 -5.05219 -49.9452 82.4877 1.52371 102.689 58.5959 68.7315 -213.004 PRESSAVG: 4131200 -37.3762 9.9708 -12.9053 9.97075 26.4714 3.69676 -12.9053 3.6967 2.99443 GPRESSAVG: 4131200 -37.392 10.2629 -14.3578 9.33124 26.498 3.34336 -14.2998 5.72322 3.0008 TIMING: 4131200 CPU: 12399.3, 0.00306015/step Wall: 12399.3, 0.00306015/step, 0.738515 hours remaining, 207.730469 MB of memory in use. ENERGY: 4131200 723.6146 2053.0347 1956.0329 116.3526 -205994.9467 17616.7906 0.0000 0.0000 34112.1811 -149416.9401 297.9102 -183529.1213 -149320.6065 298.8846 -68.6209 -36.7523 557610.4326 -2.6368 -2.6311 PRESSURE: 4131400 9.40704 -64.7193 -23.9335 -64.7205 231.653 56.1319 -23.9345 56.1313 -49.701 GPRESSURE: 4131400 48.0628 -48.4123 -8.77886 -60.7302 268.901 81.6 -43.3544 87.6807 -22.9298 PRESSAVG: 4131400 -54.0874 45.7211 -35.5178 45.7211 8.96 -20.8586 -35.5178 -20.8586 18.1032 GPRESSAVG: 4131400 -53.8165 45.0617 -34.9242 46.1198 8.9758 -20.3759 -35.9854 -21.7893 17.2335 TIMING: 4131400 CPU: 12399.9, 0.00304175/step Wall: 12399.9, 0.00304175/step, 0.733906 hours remaining, 207.730469 MB of memory in use. ENERGY: 4131400 732.4597 2088.6835 1972.0949 107.6756 -206687.4496 17972.6559 0.0000 0.0000 34326.5656 -149487.3143 299.7824 -183813.8799 -149387.5769 298.3177 63.7863 98.0114 556894.5293 -9.0081 -9.2024 PRESSURE: 4131600 -128.723 103.849 26.5975 103.849 65.1527 -75.2477 26.5975 -75.2488 -174.656 GPRESSURE: 4131600 -96.1304 105.248 -28.1732 147.329 51.5046 -78.3519 19.3402 -50.1475 -98.1419 PRESSAVG: 4131600 -43.8968 26.7239 6.84141 26.7239 21.6805 -3.25153 6.84152 -3.2516 17.2052 GPRESSAVG: 4131600 -43.795 27.2805 4.65177 26.0253 20.2419 -3.98355 7.09157 -1.6507 19.2046 TIMING: 4131600 CPU: 12400.5, 0.00299117/step Wall: 12400.5, 0.00299117/step, 0.721536 hours remaining, 207.730469 MB of memory in use. ENERGY: 4131600 748.2470 2103.7890 1925.1273 112.8208 -206010.8442 17651.4655 0.0000 0.0000 33951.7942 -149517.6004 296.5095 -183469.3946 -149418.8683 297.9807 -79.4087 -47.5892 556604.1121 -1.6704 -1.4495 PRESSURE: 4131800 -11.5732 -45.8818 6.07855 -45.882 -10.3393 145.44 6.07854 145.441 -134.233 GPRESSURE: 4131800 38.3617 -7.08252 65.6451 -134.443 25.2094 159.929 -26.7317 99.152 -129.416 PRESSAVG: 4131800 -27.8993 -44.1645 22.7609 -44.1646 27.6839 -24.2149 22.7608 -24.215 -19.0914 GPRESSAVG: 4131800 -28.1803 -44.7353 28.0966 -41.9287 29.4269 -24.2092 20.6308 -26.0293 -20.514 TIMING: 4131800 CPU: 12401.1, 0.00298993/step Wall: 12401.1, 0.00298993/step, 0.721072 hours remaining, 207.730469 MB of memory in use. ENERGY: 4131800 753.2121 2110.5930 1925.5772 104.8017 -206896.7760 18028.9635 0.0000 0.0000 34305.0835 -149668.5450 299.5948 -183973.6285 -149572.1259 298.1753 -52.0484 -21.9484 557185.7975 -6.4356 -6.4225 PRESSURE: 4132000 -80.7448 -68.9011 -122.539 -68.9003 -20.5497 21.2995 -122.538 21.2999 145.192 GPRESSURE: 4132000 -95.6402 -76.4998 -105.26 -42.1677 25.1658 -52.9721 -202.975 113.29 201.787 PRESSAVG: 4132000 5.52378 -22.8646 -36.3869 -22.8646 22.2674 12.241 -36.387 12.2408 -19.3487 GPRESSAVG: 4132000 6.28285 -22.3862 -42.6378 -21.827 19.8808 13.8391 -32.5758 11.0483 -18.0508 TIMING: 4132000 CPU: 12401.7, 0.00299657/step Wall: 12401.7, 0.00299657/step, 0.722506 hours remaining, 207.730469 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: 4132000 755.2831 2077.2349 1923.4554 116.1218 -206613.6351 18001.5381 0.0000 0.0000 34034.6799 -149705.3220 297.2333 -183740.0019 -149603.8718 297.4253 14.6326 43.7710 557153.5781 2.8142 2.7043 PRESSURE: 4132200 -49.3099 250.183 19.6023 250.183 -216.579 -14.1463 19.6005 -14.1458 -212.216 GPRESSURE: 4132200 26.0961 267.862 62.3589 188.277 -198.558 -31.6652 -51.0842 64.83 -209.407 PRESSAVG: 4132200 -1.44092 -12.1193 6.40396 -12.1194 -24.2382 -11.8452 6.40389 -11.8452 77.2362 GPRESSAVG: 4132200 -1.39946 -13.7391 10.7554 -12.4248 -23.0897 -12.5725 5.10989 -11.15 76.193 TIMING: 4132200 CPU: 12402.3, 0.00302755/step Wall: 12402.3, 0.00302755/step, 0.729807 hours remaining, 207.730469 MB of memory in use. ENERGY: 4132200 771.2999 2087.2051 1932.1059 97.0794 -206279.4139 17675.7797 0.0000 0.0000 34077.6218 -149638.3221 297.6083 -183715.9439 -149537.6536 297.7673 -159.3683 -127.2896 557893.1245 17.1857 17.2346 LDB: ============= START OF LOAD BALANCING ============== 12405.7 LDB: ============== END OF LOAD BALANCING =============== 12405.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12405.7 LDB: ============= START OF LOAD BALANCING ============== 12406 LDB: Largest compute 4820 load 0.023541 is 19.9% of average load 0.118110 LDB: Average compute 0.001714 is 1.5% of average load 0.118110 LDB: TIME 12406 LOAD: AVG 0.11811 MAX 0.218906 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.336 MB LDB: TIME 12406 LOAD: AVG 0.11811 MAX 0.218906 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.336 MB LDB: TIME 12406 LOAD: AVG 0.11811 MAX 0.218906 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.336 MB LDB: ============== END OF LOAD BALANCING =============== 12406 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 PRESSURE: 4132400 240.834 62.3155 -77.4031 62.3164 -13.7837 122.88 -77.4038 122.88 -108.089 GPRESSURE: 4132400 248.894 96.9146 -92.6117 -53.7877 66.1423 94.0012 -72.6487 147.718 -103.888 PRESSAVG: 4132400 -34.177 36.5292 -17.0976 36.5292 1.29019 -7.54886 -17.0977 -7.54886 34.1405 GPRESSAVG: 4132400 -35.5141 37.4506 -18.3624 35.7628 2.08696 -8.25012 -17.8026 -5.77117 34.8644 TIMING: 4132400 CPU: 12402.9, 0.00306812/step Wall: 12402.9, 0.00306812/step, 0.739417 hours remaining, 209.558594 MB of memory in use. ENERGY: 4132400 761.3617 2065.8783 1965.1207 113.0129 -206493.0437 18054.9346 0.0000 0.0000 34103.9018 -149428.8337 297.8379 -183532.7355 -149331.7782 298.4096 39.6539 70.3828 557254.9919 0.4179 0.4791 PRESSURE: 4132600 -130.01 -133.136 -19.5988 -133.134 10.3108 90.2788 -19.5997 90.2796 -242.198 GPRESSURE: 4132600 -111.726 -77.1999 -72.4282 -114.013 63.7786 53.0863 54.7836 43.3635 -223.557 PRESSAVG: 4132600 -38.5827 -7.12515 -57.374 -7.12511 94.0939 -2.39177 -57.374 -2.39184 -34.3753 GPRESSAVG: 4132600 -37.7658 -7.38791 -60.2165 -8.13044 93.6132 -0.972871 -54.8621 -3.2058 -34.8066 TIMING: 4132600 CPU: 12403.5, 0.00305702/step Wall: 12403.5, 0.00305702/step, 0.736572 hours remaining, 209.761719 MB of memory in use. ENERGY: 4132600 748.8719 2104.8394 1934.0069 108.6426 -206091.6221 17641.4098 0.0000 0.0000 34154.8464 -149399.0049 298.2828 -183553.8514 -149302.7841 298.3213 -120.6323 -90.5015 558111.0348 7.0453 7.0136 PRESSURE: 4132800 -255.758 46.3427 11.1562 46.3424 -205.583 -34.4282 11.1554 -34.4287 -93.8696 GPRESSURE: 4132800 -255.026 102.752 -7.08719 29.63 -191.647 -70.8102 3.51272 40.4095 -12.9202 PRESSAVG: 4132800 -34.5847 14.6054 39.162 14.6054 45.4991 26.1371 39.1621 26.137 -26.4881 GPRESSAVG: 4132800 -35.7826 14.1422 42.0343 16.5565 47.5424 25.2356 36.333 26.5469 -27.0126 TIMING: 4132800 CPU: 12404.1, 0.00303615/step Wall: 12404.1, 0.00303615/step, 0.731376 hours remaining, 209.761719 MB of memory in use. ENERGY: 4132800 764.5589 2125.8242 1920.4285 120.7952 -206270.2527 17692.3421 0.0000 0.0000 34155.8169 -149490.4870 298.2912 -183646.3039 -149399.6951 298.7376 -185.0701 -153.1977 558446.8855 -5.1912 -5.0843 PRESSURE: 4133000 101.284 80.3738 -44.0533 80.3734 32.3931 29.4603 -44.0518 29.4596 -154.843 GPRESSURE: 4133000 171.021 -9.85656 -26.1241 68.9285 81.7715 51.028 -58.4816 -20.0704 -173.599 PRESSAVG: 4133000 4.87778 51.7715 20.3638 51.7715 36.8328 -13.8287 20.3639 -13.8288 -17.0496 GPRESSAVG: 4133000 6.25842 52.3002 21.1231 50.9368 36.1015 -13.9151 19.2581 -12.9121 -17.6713 TIMING: 4133000 CPU: 12404.7, 0.00303629/step Wall: 12404.7, 0.00303629/step, 0.731239 hours remaining, 209.761719 MB of memory in use. ENERGY: 4133000 726.2943 2054.9174 1914.4712 117.8371 -206165.4154 17730.5606 0.0000 0.0000 34149.7596 -149471.5753 298.2383 -183621.3348 -149372.3676 298.8927 -7.0552 26.3979 557210.7679 8.2203 8.2295 PRESSURE: 4133200 33.4857 32.4015 345.402 32.4022 129.407 -24.5154 345.401 -24.5153 -73.2876 GPRESSURE: 4133200 54.9109 53.478 287.701 3.30534 157.655 -38.8493 333.441 12.4454 -21.9873 PRESSAVG: 4133200 69.6377 11.575 44.1363 11.5751 -44.1328 30.3063 44.1363 30.3063 -40.684 GPRESSAVG: 4133200 68.5604 12.433 42.6574 12.4992 -44.8373 30.2042 46.1404 28.1774 -39.3355 TIMING: 4133200 CPU: 12405.3, 0.00302241/step Wall: 12405.3, 0.00302241/step, 0.727729 hours remaining, 209.761719 MB of memory in use. ENERGY: 4133200 720.6986 2080.5769 1946.6501 109.4177 -206490.8548 18018.2211 0.0000 0.0000 34190.3821 -149424.9082 298.5931 -183615.2903 -149333.5580 298.9015 29.8685 63.5262 556644.7423 -5.0597 -5.2041 PRESSURE: 4133400 141.798 -52.1095 -118.957 -52.1084 -157.492 -34.6345 -118.956 -34.6333 -102.743 GPRESSURE: 4133400 157.674 -7.17114 -126.048 -59.0781 -81.9966 43.0332 -56.5491 -94.2364 -103.295 PRESSAVG: 4133400 24.2424 -19.951 53.3033 -19.951 -28.9694 -26.8367 53.3033 -26.8366 4.10519 GPRESSAVG: 4133400 24.0583 -20.4694 54.6198 -20.4739 -29.069 -26.628 52.2644 -26.4448 4.60329 TIMING: 4133400 CPU: 12406, 0.00303663/step Wall: 12406, 0.00303663/step, 0.730985 hours remaining, 209.761719 MB of memory in use. ENERGY: 4133400 704.3612 2079.9100 1927.6043 130.7960 -205883.8302 17490.8638 0.0000 0.0000 34274.2741 -149276.0207 299.3258 -183550.2949 -149187.4157 299.0332 -39.4787 -9.2059 557139.4462 -0.2072 -0.1358 PRESSURE: 4133600 -66.178 188.683 -39.6171 188.683 -16.3814 6.05296 -39.6162 6.05387 -455.436 GPRESSURE: 4133600 1.92827 190.898 -87.1562 188.154 -34.1855 -58.4521 81.0637 119.524 -413.036 PRESSAVG: 4133600 90.7042 38.8369 40.7369 38.8368 -21.5088 -18.7534 40.737 -18.7534 -50.9658 GPRESSAVG: 4133600 91.498 39.1967 41.2592 37.526 -21.7104 -19.7272 42.0371 -19.9884 -51.1712 TIMING: 4133600 CPU: 12406.6, 0.00305588/step Wall: 12406.6, 0.00305588/step, 0.735449 hours remaining, 209.761719 MB of memory in use. ENERGY: 4133600 791.9262 2079.7709 1955.2394 107.9567 -206382.3810 17520.5093 0.0000 0.0000 34528.6419 -149398.3367 301.5472 -183926.9786 -149306.7700 299.1120 -179.3320 -148.4311 556488.8342 6.0765 6.2055 PRESSURE: 4133800 -63.8011 -47.5798 32.47 -47.5794 -139.478 157.969 32.4707 157.969 183.087 GPRESSURE: 4133800 -45.059 -89.2223 77.015 61.7513 -90.224 182.709 23.9001 144.385 217.098 PRESSAVG: 4133800 2.48552 -11.6496 -24.6219 -11.6496 82.2489 3.1111 -24.6219 3.1112 -45.2116 GPRESSAVG: 4133800 2.1278 -10.9773 -25.6206 -13.2676 82.4434 4.61183 -24.6956 3.81608 -45.1075 TIMING: 4133800 CPU: 12407.2, 0.00303339/step Wall: 12407.2, 0.00303339/step, 0.729867 hours remaining, 209.761719 MB of memory in use. ENERGY: 4133800 778.8202 2126.5123 1924.6732 116.8327 -206277.4249 17651.9788 0.0000 0.0000 34221.4956 -149457.1122 298.8648 -183678.6078 -149364.1701 298.7059 -6.7306 27.2716 554270.9978 13.1743 13.1546 PRESSURE: 4134000 24.1817 50.7904 47.0372 50.7899 55.3234 13.8182 47.0378 13.8187 38.3458 GPRESSURE: 4134000 14.4774 41.1297 57.8515 76.1435 65.0907 35.1969 14.9262 61.3327 142.582 PRESSAVG: 4134000 -5.1304 -17.3011 11.5542 -17.301 -21.3292 37.8183 11.5543 37.8184 2.27445 GPRESSAVG: 4134000 -6.2158 -18.3461 11.8921 -14.2575 -20.8996 37.6881 10.5336 38.5291 2.29298 TIMING: 4134000 CPU: 12407.8, 0.0030457/step Wall: 12407.8, 0.0030457/step, 0.732659 hours remaining, 209.761719 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: 4134000 763.4136 2079.4683 1934.0916 117.9451 -206610.1054 18013.3134 0.0000 0.0000 34410.3338 -149291.5396 300.5140 -183701.8734 -149188.1125 298.8366 39.2836 74.0502 556860.6968 -8.0617 -8.2741 PRESSURE: 4134200 -3.69565 169 14.3324 169 -131.281 -109.576 14.333 -109.577 -104.586 GPRESSURE: 4134200 11.8557 108.164 27.0047 202.371 -78.7058 -20.6911 -19.6122 -115.065 -82.7912 PRESSAVG: 4134200 27.4679 -53.1238 -3.06396 -53.1238 -47.8726 -0.184915 -3.06399 -0.184834 4.58302 GPRESSAVG: 4134200 27.9939 -52.2188 -1.42565 -54.5828 -48.5095 -0.480545 -3.61488 0.403634 5.13246 TIMING: 4134200 CPU: 12408.4, 0.0030584/step Wall: 12408.4, 0.0030584/step, 0.735545 hours remaining, 209.761719 MB of memory in use. ENERGY: 4134200 744.5122 2164.1863 1920.9605 112.0054 -206038.7803 17702.6162 0.0000 0.0000 34320.2353 -149074.2644 299.7272 -183394.4997 -148975.7488 299.8375 -79.8543 -49.8804 557840.5292 -5.2739 -5.1277 PRESSURE: 4134400 -86.86 -180.287 -108.376 -180.286 -22.6758 -10.8624 -108.377 -10.8624 -13.1276 GPRESSURE: 4134400 -38.8057 -135.317 -127.276 -261.554 -83.0829 -73.9179 -94.2634 -36.6892 101.636 PRESSAVG: 4134400 -11.6526 -13.1687 -29.1985 -13.1686 18.9863 50.4149 -29.1986 50.4151 -36.7032 GPRESSAVG: 4134400 -11.3244 -13.9886 -31.4165 -13.0013 19.138 50.3309 -27.2385 48.0844 -36.1983 TIMING: 4134400 CPU: 12409, 0.00307175/step Wall: 12409, 0.00307175/step, 0.738585 hours remaining, 209.761719 MB of memory in use. ENERGY: 4134400 755.6179 2098.3324 1949.4500 107.6332 -206519.8721 18030.3464 0.0000 0.0000 34266.1349 -149312.3574 299.2547 -183578.4922 -149208.9782 299.4691 -40.8878 -6.7508 558555.6669 -9.7898 -9.4615 PRESSURE: 4134600 134.909 -40.6262 -115.292 -40.6277 -178.694 -15.4837 -115.293 -15.485 -91.2853 GPRESSURE: 4134600 194.339 -32.2941 -31.5655 43.7618 -169.525 -31.6251 -148.674 70.577 -63.1849 PRESSAVG: 4134600 23.2003 -40.1429 20.7424 -40.1429 -72.6809 1.12466 20.7425 1.12452 15.7344 GPRESSAVG: 4134600 22.4052 -39.3941 19.5567 -40.6649 -71.8136 1.53743 21.3083 2.12157 15.5983 TIMING: 4134600 CPU: 12409.6, 0.00308794/step Wall: 12409.6, 0.00308794/step, 0.742307 hours remaining, 209.761719 MB of memory in use. ENERGY: 4134600 766.6517 2076.6998 1945.0106 99.0088 -205998.2046 17681.7468 0.0000 0.0000 34203.9982 -149225.0886 298.7120 -183429.0868 -149127.3434 299.0985 -45.0237 -12.7902 558457.1555 -11.2487 -11.2701 PRESSURE: 4134800 -190.156 -15.6468 -0.977577 -15.6462 -167.052 55.8117 -0.976488 55.8109 -200.359 GPRESSURE: 4134800 -145.57 -139.73 -39.9797 -83.0788 -108.916 -4.63485 -23.307 49.1212 -208.712 PRESSAVG: 4134800 14.2564 0.285428 7.66729 0.285387 -37.332 -21.0778 7.66737 -21.0779 18.5742 GPRESSAVG: 4134800 16.2456 -0.0863155 9.89152 -0.905728 -37.306 -22.658 7.33297 -20.4028 17.3246 TIMING: 4134800 CPU: 12410.2, 0.00305278/step Wall: 12410.2, 0.00305278/step, 0.733684 hours remaining, 209.761719 MB of memory in use. ENERGY: 4134800 793.0722 2083.0201 1951.5902 121.3328 -206105.7810 17735.6104 0.0000 0.0000 34141.0131 -149280.1424 298.1620 -183421.1555 -149185.4966 298.7930 -185.8556 -154.3992 558887.6681 -1.5004 -1.2452 PRESSURE: 4135000 -22.3609 -131.041 -180.565 -131.042 -203.603 -149.626 -180.566 -149.626 22.4764 GPRESSURE: 4135000 53.8946 -171.764 -204.77 -38.6252 -225.071 -184.511 -166.944 -100.675 57.1184 PRESSAVG: 4135000 27.5411 4.80996 -8.28688 4.80997 -48.8293 24.8998 -8.28688 24.8998 27.3434 GPRESSAVG: 4135000 26.1348 4.65315 -8.62618 7.64619 -48.6197 26.2173 -8.88969 23.105 28.3349 TIMING: 4135000 CPU: 12410.9, 0.00306665/step Wall: 12410.9, 0.00306665/step, 0.736849 hours remaining, 209.761719 MB of memory in use. ENERGY: 4135000 786.3049 2100.0509 1964.2852 111.2746 -206328.9220 17880.8346 0.0000 0.0000 34321.0193 -149165.1524 299.7340 -183486.1718 -149070.8416 299.0759 -67.8293 -38.0195 558946.2621 2.0184 1.9500 PRESSURE: 4135200 -93.5855 -102.51 -75.0671 -102.51 -54.5188 -109.467 -75.0667 -109.466 -194.916 GPRESSURE: 4135200 -69.607 -50.7961 -56.5486 -82.3877 -23.0005 -45.8233 -82.6326 -84.2577 -155.708 PRESSAVG: 4135200 -15.831 -7.97816 -35.4404 -7.97819 -13.9837 -1.11233 -35.4404 -1.1123 29.106 GPRESSAVG: 4135200 -15.9256 -8.15344 -35.5487 -6.93043 -14.6871 -1.33761 -35.4869 -0.492511 30.0058 TIMING: 4135200 CPU: 12411.5, 0.00306374/step Wall: 12411.5, 0.00306374/step, 0.735979 hours remaining, 209.761719 MB of memory in use. ENERGY: 4135200 723.4114 2092.6824 1946.6321 112.7194 -206224.8125 17769.2665 0.0000 0.0000 34184.8645 -149395.2363 298.5449 -183580.1008 -149299.5470 298.3415 -114.3399 -82.7719 560872.9738 -0.2362 -0.2023 PRESSURE: 4135400 51.9967 24.4568 47.7795 24.4575 102.756 0.2362 47.7794 0.235674 -143.12 GPRESSURE: 4135400 25.259 -27.5735 29.8989 104.194 172.007 -52.3476 46.1554 77.8417 -77.7522 PRESSAVG: 4135400 20.3117 3.49451 -50.2658 3.49446 0.00118117 -10.5415 -50.2658 -10.5414 0.0546489 GPRESSAVG: 4135400 21.0539 2.47294 -52.0934 1.89192 1.28826 -9.35651 -50.4194 -10.2896 -1.32186 TIMING: 4135400 CPU: 12412.1, 0.00307074/step Wall: 12412.1, 0.00307074/step, 0.737489 hours remaining, 209.761719 MB of memory in use. ENERGY: 4135400 748.6611 2106.6412 1942.4703 116.1475 -206548.2367 17988.5767 0.0000 0.0000 34327.2532 -149318.4868 299.7884 -183645.7400 -149222.0786 298.5347 3.8774 39.8378 559163.3058 6.7892 7.0068 PRESSURE: 4135600 -34.359 47.1692 -18.5858 47.1693 115.555 -219.44 -18.5866 -219.44 -0.511527 GPRESSURE: 4135600 28.4793 128.679 10.3249 6.56895 105.02 -155.024 -87.8688 -213.397 41.265 PRESSAVG: 4135600 -6.12236 16.7682 -40.4754 16.7682 -22.0297 -18.4403 -40.4755 -18.4404 67.2865 GPRESSAVG: 4135600 -4.9193 18.4919 -39.1764 17.7067 -23.7199 -17.7636 -40.6232 -18.4902 68.733 TIMING: 4135600 CPU: 12412.7, 0.00305259/step Wall: 12412.7, 0.00305259/step, 0.732961 hours remaining, 209.761719 MB of memory in use. ENERGY: 4135600 769.4659 2038.2198 1929.2621 106.8972 -206430.3726 18107.4234 0.0000 0.0000 34397.6376 -149081.4667 300.4031 -183479.1042 -148990.2626 299.6374 26.8947 58.2549 559139.4271 13.0448 13.3646 PRESSURE: 4135800 -416.368 47.2713 -152.534 47.2704 -218.398 -28.1917 -152.533 -28.1906 53.8013 GPRESSURE: 4135800 -382.019 84.6332 -154.39 18.7047 -219.848 20.1425 -147.027 -88.4272 118.369 PRESSAVG: 4135800 -0.494412 -5.75789 -47.4648 -5.75786 -95.857 -32.0924 -47.4648 -32.0925 35.2608 GPRESSAVG: 4135800 -0.281722 -3.11809 -47.9502 -8.97405 -96.0458 -34.5177 -48.0579 -31.7792 35.3072 TIMING: 4135800 CPU: 12413.3, 0.00306161/step Wall: 12413.3, 0.00306161/step, 0.734955 hours remaining, 209.761719 MB of memory in use. ENERGY: 4135800 740.7800 2092.5830 1962.4498 111.4904 -206066.7940 17644.0191 0.0000 0.0000 34403.1711 -149112.3007 300.4514 -183515.4718 -149007.8976 299.5048 -193.6548 -161.1661 559643.1238 -20.3635 -20.3401 PRESSURE: 4136000 -70.8077 2.90067 -77.4585 2.90169 -55.5055 -29.2134 -77.4588 -29.2136 225.912 GPRESSURE: 4136000 -23.4918 63.1523 -101.056 -55.3976 -12.9408 98.7365 20.6571 -31.6866 231.497 PRESSAVG: 4136000 -35.5122 26.7362 22.5632 26.7362 -26.5808 20.7086 22.5632 20.7085 83.9959 GPRESSAVG: 4136000 -37.0393 22.4375 21.5301 29.3736 -24.5783 22.4395 24.0737 20.3393 83.1171 TIMING: 4136000 CPU: 12413.9, 0.0030402/step Wall: 12413.9, 0.0030402/step, 0.729647 hours remaining, 209.761719 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: 4136000 741.5757 2080.7633 1957.4807 115.4732 -206249.1365 17921.1277 0.0000 0.0000 34296.4899 -149136.2260 299.5198 -183432.7159 -149045.5810 299.5088 33.1995 65.0215 559741.1286 7.3010 7.1665 PRESSURE: 4136200 -265.083 -75.8991 -77.0419 -75.8986 -88.7981 64.2722 -77.0423 64.2724 61.5373 GPRESSURE: 4136200 -250.814 36.4528 -81.3039 -77.2767 -44.9173 -20.5517 -143.41 81.6901 93.9516 PRESSAVG: 4136200 -86.7475 35.3308 -43.8246 35.3308 38.0686 -2.37735 -43.8247 -2.3772 48.8847 GPRESSAVG: 4136200 -88.3534 35.8779 -42.8508 36.1466 37.8125 -5.37345 -45.4107 -2.20736 50.487 TIMING: 4136200 CPU: 12414.5, 0.0030277/step Wall: 12414.5, 0.0030277/step, 0.726479 hours remaining, 209.761719 MB of memory in use. ENERGY: 4136200 741.8338 2066.5326 1946.6600 108.0683 -205876.5835 17628.4676 0.0000 0.0000 34275.9777 -149109.0435 299.3406 -183385.0212 -149003.6453 299.1290 -97.4481 -67.2598 558496.1881 0.0686 -0.0180 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 ============== 12418.3 LDB: Largest compute 4820 load 0.025509 is 21.6% of average load 0.118149 LDB: Average compute 0.001727 is 1.5% of average load 0.118149 LDB: TIME 12418.3 LOAD: AVG 0.118149 MAX 0.222223 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.891 MB LDB: TIME 12418.3 LOAD: AVG 0.118149 MAX 0.222223 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.891 MB LDB: TIME 12418.3 LOAD: AVG 0.118149 MAX 0.222223 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.891 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12418.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12418.3 PRESSURE: 4136400 61.6935 -155.332 -57.0909 -155.331 -67.3388 89.5687 -57.0918 89.5683 258.743 GPRESSURE: 4136400 107.281 -117.957 -51.0352 -220.567 -59.1256 91.9094 -119.002 21.6894 298.528 PRESSAVG: 4136400 -11.7356 -25.6381 6.52029 -25.6381 -0.902636 -32.3627 6.52022 -32.3628 33.4995 GPRESSAVG: 4136400 -10.8591 -26.0006 7.90638 -25.4399 -1.43259 -29.8872 6.81247 -32.1295 33.2299 TIMING: 4136400 CPU: 12415.1, 0.00308262/step Wall: 12415.1, 0.00308262/step, 0.739486 hours remaining, 208.855469 MB of memory in use. ENERGY: 4136400 740.1846 2044.8351 1982.5204 107.1534 -206435.3916 17986.0715 0.0000 0.0000 34515.5088 -149059.1177 301.4325 -183574.6266 -148967.1645 299.5469 84.3660 115.5612 557894.3677 6.9538 6.9794 PRESSURE: 4136600 257.324 21.8284 9.02527 21.8301 197.328 -72.834 9.02611 -72.8335 143.676 GPRESSURE: 4136600 274.034 27.3035 -61.0656 21.0314 245.407 -137.651 -8.55138 -135.626 186.117 PRESSAVG: 4136600 -16.4832 -41.4874 -9.46802 -41.4874 33.8958 20.9406 -9.46796 20.9406 17.8984 GPRESSAVG: 4136600 -16.3331 -39.5845 -10.9609 -43.0433 33.4461 19.1185 -8.25253 21.299 17.8656 TIMING: 4136600 CPU: 12415.7, 0.00303914/step Wall: 12415.7, 0.00303914/step, 0.728886 hours remaining, 208.855469 MB of memory in use. ENERGY: 4136600 717.4839 2077.4165 1993.9296 124.1053 -206109.8289 18067.2543 0.0000 0.0000 34231.5521 -148898.0872 298.9527 -183129.6393 -148804.1301 299.7147 199.4425 235.1860 558172.5567 11.7703 11.6595 PRESSURE: 4136800 -160.614 -15.4269 -62.4378 -15.4272 216.319 75.5955 -62.4377 75.5952 249.391 GPRESSURE: 4136800 -149.061 37.1334 -44.1601 16.6951 210.106 78.4977 -32.45 88.6108 337.614 PRESSAVG: 4136800 -9.62749 53.7149 -8.1689 53.7148 -41.2989 43.8331 -8.16903 43.8332 13.371 GPRESSAVG: 4136800 -8.27493 52.6141 -7.36728 54.5418 -42.0155 43.0225 -8.7448 44.8055 12.6574 TIMING: 4136800 CPU: 12416.3, 0.00304172/step Wall: 12416.3, 0.00304172/step, 0.729336 hours remaining, 208.855469 MB of memory in use. ENERGY: 4136800 741.3359 2086.0518 1930.2920 106.7198 -206106.2511 17921.5105 0.0000 0.0000 34251.6582 -149068.6830 299.1283 -183320.3412 -148980.9867 299.5504 101.6987 132.8862 557037.5790 -12.5185 -12.5443 PRESSURE: 4137000 -26.7542 38.9008 140.535 38.9012 28.584 148.169 140.535 148.168 -13.445 GPRESSURE: 4137000 -8.98212 59.9517 205.275 38.1678 99.7182 89.1676 104.133 69.3269 7.13794 PRESSAVG: 4137000 19.5313 -17.5299 2.97794 -17.5298 -25.8579 5.82835 2.97799 5.82837 -20.5385 GPRESSAVG: 4137000 18.1657 -17.4116 2.10575 -18.3506 -25.2696 8.17948 3.86851 3.96138 -19.4987 TIMING: 4137000 CPU: 12417, 0.00303015/step Wall: 12417, 0.00303015/step, 0.726394 hours remaining, 208.855469 MB of memory in use. ENERGY: 4137000 769.9996 2096.4442 1936.1931 118.9670 -206186.8212 17957.6035 0.0000 0.0000 34166.2393 -149141.3744 298.3823 -183307.6138 -149047.5913 298.8725 -3.8717 32.6247 557518.8241 -8.9550 -8.8675 PRESSURE: 4137200 -6.80598 -13.394 -104.271 -13.3949 -305.283 50.0028 -104.271 50.003 -108.316 GPRESSURE: 4137200 69.9744 -52.6591 -65.0027 -24.108 -274.328 25.6452 -157.928 105.08 -113.578 PRESSAVG: 4137200 35.5168 -2.10792 -27.7221 -2.10798 -80.8813 -19.0649 -27.7221 -19.0649 65.7882 GPRESSAVG: 4137200 37.8738 -0.339757 -26.9743 -2.97001 -80.3066 -19.3759 -29.4089 -20.2074 63.2173 TIMING: 4137200 CPU: 12417.6, 0.00303432/step Wall: 12417.6, 0.00303432/step, 0.727225 hours remaining, 208.855469 MB of memory in use. ENERGY: 4137200 743.1809 2060.6894 1946.9217 120.1919 -205729.7580 17461.3539 0.0000 0.0000 34348.2956 -149049.1246 299.9722 -183397.4202 -148941.9787 299.1301 -140.1350 -105.9771 556652.6679 6.8079 6.9282 PRESSURE: 4137400 5.02802 -6.34947 170.218 -6.34962 -43.3283 -135.663 170.219 -135.662 128.894 GPRESSURE: 4137400 34.2415 29.267 -14.4524 18.9561 -35.5944 -160.34 190.99 -104.331 186.089 PRESSAVG: 4137400 11.0724 30.5816 15.2927 30.5817 27.7393 60.047 15.2926 60.047 31.4928 GPRESSAVG: 4137400 9.37337 29.455 16.2567 30.0244 28.582 61.3808 14.8797 61.886 32.471 TIMING: 4137400 CPU: 12418.2, 0.0030521/step Wall: 12418.2, 0.0030521/step, 0.731317 hours remaining, 208.855469 MB of memory in use. ENERGY: 4137400 753.9688 2108.7046 1948.2290 119.6841 -206041.2288 17731.5428 0.0000 0.0000 34267.6507 -149111.4488 299.2679 -183379.0995 -149008.8032 299.7783 30.1980 61.5788 555775.3640 23.4349 23.4754 PRESSURE: 4137600 -2.45504 116.744 101.176 116.745 -59.5569 -126.164 101.175 -126.163 52.759 GPRESSURE: 4137600 8.26923 72.1336 22.6927 125.06 -42.9734 -91.1444 119.418 -76.3405 128.71 PRESSAVG: 4137600 -12.4146 6.22293 -25.3836 6.22296 13.8868 3.51454 -25.3836 3.5146 -11.6451 GPRESSAVG: 4137600 -12.1728 5.33839 -28.0158 7.68202 14.2332 2.31049 -24.276 2.05185 -12.0157 TIMING: 4137600 CPU: 12418.8, 0.00304937/step Wall: 12418.8, 0.00304937/step, 0.730493 hours remaining, 208.855469 MB of memory in use. ENERGY: 4137600 723.2210 2135.8456 1938.3521 122.0097 -205990.2464 17666.0972 0.0000 0.0000 34189.0214 -149215.6993 298.5812 -183404.7208 -149119.8512 298.8858 -3.0843 31.3351 557599.8431 -3.3910 -3.3184 PRESSURE: 4137800 -355.881 -146.282 -78.0764 -146.281 -90.0271 151.283 -78.0763 151.285 -99.8869 GPRESSURE: 4137800 -293.512 -174.286 -70.9265 -147.634 -53.2339 43.364 -15.4747 171.114 -101.36 PRESSAVG: 4137800 -13.6775 -11.5137 46.5386 -11.5137 36.626 -9.3584 46.5386 -9.35826 -19.6316 GPRESSAVG: 4137800 -12.5317 -11.0717 47.7723 -11.5981 35.4564 -8.93867 46.5209 -8.66658 -20.0363 TIMING: 4137800 CPU: 12419.4, 0.00304908/step Wall: 12419.4, 0.00304908/step, 0.730254 hours remaining, 208.855469 MB of memory in use. ENERGY: 4137800 750.2657 2086.7623 1940.9744 117.5608 -206069.6060 17653.7417 0.0000 0.0000 34264.4519 -149255.8493 299.2400 -183520.3012 -149151.3005 299.3515 -181.9318 -149.3684 557042.0383 1.1057 0.9628 PRESSURE: 4138000 -187.994 58.3362 -216.646 58.3358 16.6929 54.3372 -216.646 54.338 44.9523 GPRESSURE: 4138000 -197.516 34.3893 -258.653 83.0771 67.3514 49.6265 -221.088 49.2855 96.9666 PRESSAVG: 4138000 -27.9205 -8.85934 -11.8033 -8.85935 2.71354 -13.9507 -11.8034 -13.9507 -16.4448 GPRESSAVG: 4138000 -29.7122 -8.62009 -11.7975 -7.78701 3.95163 -16.4578 -12.1136 -12.6277 -16.2209 TIMING: 4138000 CPU: 12420, 0.00305618/step Wall: 12420, 0.00305618/step, 0.731784 hours remaining, 208.855469 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: 4138000 785.5458 2113.1253 1950.0358 108.6243 -206257.2377 17764.6922 0.0000 0.0000 34359.4211 -149175.7931 300.0694 -183535.2143 -149081.8920 299.2159 -42.1161 -11.0659 557089.6320 -13.8839 -13.9938 PRESSURE: 4138200 -220.123 -66.6756 196.135 -66.6749 -461.13 -62.2392 196.136 -62.2403 130.21 GPRESSURE: 4138200 -168.38 -25.0419 215.957 -93.9547 -432.669 -137.959 159.476 -65.63 152.77 PRESSAVG: 4138200 4.88325 43.9265 17.6197 43.9265 49.7237 16.5737 17.6196 16.5737 -64.5236 GPRESSAVG: 4138200 4.86652 44.9187 18.67 44.3777 50.0404 17.6935 17.2163 16.6251 -64.6825 TIMING: 4138200 CPU: 12420.6, 0.00304745/step Wall: 12420.6, 0.00304745/step, 0.729525 hours remaining, 208.855469 MB of memory in use. ENERGY: 4138200 761.9196 2089.7143 1915.3519 110.1782 -206006.3285 17651.9777 0.0000 0.0000 34323.3026 -149153.8841 299.7539 -183477.1868 -149053.4760 299.3131 -183.6811 -149.4264 558831.1975 -3.3056 -3.2585 PRESSURE: 4138400 -73.3716 -23.0041 13.1429 -23.0038 -167.642 127.976 13.1429 127.977 56.7688 GPRESSURE: 4138400 -16.6288 3.89872 44.4219 -58.6562 -183.723 42.6437 -86.6633 204.468 111.425 PRESSAVG: 4138400 20.6256 24.6341 -23.1641 24.6342 -47.6296 -28.9659 -23.164 -28.9659 -27.1147 GPRESSAVG: 4138400 20.1747 24.507 -23.8384 23.3284 -48.317 -27.8078 -20.1606 -31.1442 -26.3932 TIMING: 4138400 CPU: 12421.2, 0.0030489/step Wall: 12421.2, 0.0030489/step, 0.729704 hours remaining, 208.855469 MB of memory in use. ENERGY: 4138400 734.9699 2091.4793 1936.1119 113.8069 -205776.9555 17624.1730 0.0000 0.0000 34272.3893 -149004.0253 299.3093 -183276.4146 -148908.8850 299.5107 -61.4149 -29.6423 559582.9158 -18.0396 -18.1785 PRESSURE: 4138600 -458.306 17.4181 -35.5106 17.4188 -111.407 5.50349 -35.5111 5.50354 -137.714 GPRESSURE: 4138600 -392.487 6.74071 -64.8755 60.2164 -72.3705 -7.75654 55.8457 -17.0757 -140.588 PRESSAVG: 4138600 -9.76708 -32.2965 4.07099 -32.2965 -17.5155 3.39507 4.07107 3.39511 31.9622 GPRESSAVG: 4138600 -10.094 -31.062 4.36438 -33.8101 -17.6787 2.3223 1.44798 3.389 32.0347 TIMING: 4138600 CPU: 12421.8, 0.0030955/step Wall: 12421.8, 0.0030955/step, 0.740684 hours remaining, 208.855469 MB of memory in use. ENERGY: 4138600 753.0363 2082.2518 1953.0504 113.2254 -206297.7541 17592.4545 0.0000 0.0000 34594.0787 -149209.6569 302.1187 -183803.7356 -149112.4053 299.9744 -235.8091 -201.8154 557856.1552 1.5599 1.4207 PRESSURE: 4138800 273.7 46.907 -20.9957 46.907 326.177 96.4497 -20.9943 96.45 206.918 GPRESSURE: 4138800 316.033 63.0382 -49.2333 82.4091 350.732 101.605 28.875 74.8729 227.758 PRESSAVG: 4138800 7.21079 25.2343 -4.32119 25.2344 25.2784 -25.1363 -4.32111 -25.1363 -8.83118 GPRESSAVG: 4138800 8.18804 22.9309 -4.07969 27.2712 25.1109 -23.2946 -3.96979 -24.0892 -9.20963 TIMING: 4138800 CPU: 12422.5, 0.00308278/step Wall: 12422.5, 0.00308278/step, 0.73747 hours remaining, 208.855469 MB of memory in use. ENERGY: 4138800 727.9505 2072.9766 1978.3822 127.7301 -206917.0826 18291.8597 0.0000 0.0000 34352.7556 -149365.4278 300.0112 -183718.1834 -149258.8155 299.6238 268.9315 298.1742 557691.5306 7.8860 8.0298 PRESSURE: 4139000 -244.244 -42.1835 -36.5187 -42.1833 -114.8 109.18 -36.52 109.181 -77.207 GPRESSURE: 4139000 -187.321 -28.2487 -54.7142 -71.8768 -62.7643 45.1033 -6.76255 123.99 -83.8924 PRESSAVG: 4139000 79.0571 16.8358 -43.7543 16.8357 5.19122 -29.4254 -43.7544 -29.4254 -90.7654 GPRESSAVG: 4139000 78.8982 17.6791 -44.0481 15.6029 5.0421 -30.5006 -42.7666 -29.887 -90.0289 TIMING: 4139000 CPU: 12423.1, 0.00305222/step Wall: 12423.1, 0.00305222/step, 0.729989 hours remaining, 208.855469 MB of memory in use. ENERGY: 4139000 725.4107 2065.6608 1952.3284 111.0405 -206129.3954 17590.3363 0.0000 0.0000 34096.2405 -149588.3782 297.7709 -183684.6187 -149497.4033 298.0660 -145.4172 -111.3261 556690.2553 -2.1723 -2.0295 PRESSURE: 4139200 -259.204 -60.3882 53.1307 -60.3891 -478.351 50.5707 53.1302 50.5712 -356.607 GPRESSURE: 4139200 -176.842 -59.4784 11.2349 -17.7828 -455.658 4.81921 75.7918 34.6085 -358.12 PRESSAVG: 4139200 -1.45147 3.09421 36.1817 3.09428 -2.47763 -24.1502 36.1819 -24.1502 1.22463 GPRESSAVG: 4139200 -0.99288 2.98781 36.0442 3.53236 -2.79041 -23.9327 36.2746 -23.9309 1.16787 TIMING: 4139200 CPU: 12423.7, 0.00305557/step Wall: 12423.7, 0.00305557/step, 0.730621 hours remaining, 208.855469 MB of memory in use. ENERGY: 4139200 754.1942 2084.7572 1927.0558 111.9131 -206105.0530 17359.7450 0.0000 0.0000 34167.9594 -149699.4284 298.3973 -183867.3878 -149596.9823 297.4825 -364.7207 -330.2065 557165.8825 -0.9015 -0.8718 PRESSURE: 4139400 -43.0461 70.1382 11.9204 70.1391 104.935 14.067 11.9196 14.0673 -163.021 GPRESSURE: 4139400 27.4674 3.94956 57.3302 72.716 88.2597 94.5062 -16.5711 40.2978 -112.603 PRESSAVG: 4139400 -28.7354 13.3542 -7.79776 13.3543 74.2972 34.4575 -7.79778 34.4575 -23.7898 GPRESSAVG: 4139400 -29.1175 14.5915 -6.88188 12.4609 74.2185 35.2117 -9.45852 32.8239 -23.9849 TIMING: 4139400 CPU: 12424.3, 0.00302944/step Wall: 12424.3, 0.00302944/step, 0.724204 hours remaining, 208.855469 MB of memory in use. ENERGY: 4139400 731.7719 2088.8694 1913.4156 107.6140 -206571.2937 17901.7839 0.0000 0.0000 34090.3471 -149737.4919 297.7195 -183827.8390 -149634.1431 297.4169 -33.7107 1.0414 557546.4599 7.2573 7.0387 PRESSURE: 4139600 7.2175 16.492 17.2733 16.4922 61.5679 316.264 17.272 316.265 -8.99594 GPRESSURE: 4139600 101.924 -29.3403 -5.87974 81.9764 76.0458 312.052 -1.08599 231.943 -12.8063 PRESSAVG: 4139600 -53.3803 1.26618 -58.3325 1.2662 -1.55961 10.5696 -58.3325 10.5695 32.2638 GPRESSAVG: 4139600 -54.0242 1.56109 -57.7998 0.772416 -1.22676 10.5245 -55.9766 10.5816 32.6346 TIMING: 4139600 CPU: 12424.9, 0.00304083/step Wall: 12424.9, 0.00304083/step, 0.726759 hours remaining, 208.855469 MB of memory in use. ENERGY: 4139600 763.8836 2064.9024 1940.1302 104.7026 -206405.5954 17813.9195 0.0000 0.0000 34079.7983 -149638.2589 297.6274 -183718.0571 -149546.6997 297.7406 19.9298 55.0544 555215.2712 -7.5587 -7.5388 PRESSURE: 4139800 293.694 8.57872 43.383 8.5785 -156.362 -176.377 43.3832 -176.377 129.961 GPRESSURE: 4139800 320.524 37.0098 31.1365 -141.225 -130.563 -212.293 27.4096 -172.685 182.583 PRESSAVG: 4139800 19.6572 -19.6885 -35.5191 -19.6885 -11.4457 -24.4166 -35.5192 -24.4166 15.2056 GPRESSAVG: 4139800 20.1983 -19.0066 -35.4461 -18.947 -12.2074 -26.8487 -37.0009 -23.1048 15.4061 TIMING: 4139800 CPU: 12425.5, 0.00304958/step Wall: 12425.5, 0.00304958/step, 0.72868 hours remaining, 208.855469 MB of memory in use. ENERGY: 4139800 696.7514 2099.4089 1919.9820 116.3431 -206183.9986 17836.6778 0.0000 0.0000 33983.5086 -149531.3269 296.7864 -183514.8355 -149441.8660 298.3432 89.0978 124.1813 556027.2002 7.8057 7.7990 PRESSURE: 4140000 333.618 -104.017 -0.619402 -104.016 70.639 -84.4624 -0.62016 -84.463 11.8957 GPRESSURE: 4140000 337.053 -60.0577 -108.371 -182.815 174.626 -57.0227 40.0556 -30.9893 -0.356799 PRESSAVG: 4140000 24.1432 -25.4548 -72.9501 -25.4549 -49.0796 26.6825 -72.9501 26.6826 20.8093 GPRESSAVG: 4140000 23.6409 -26.8527 -75.3244 -25.3611 -49.123 27.8521 -73.6573 27.4604 20.8361 TIMING: 4140000 CPU: 12426.1, 0.00303821/step Wall: 12426.1, 0.00303821/step, 0.725795 hours remaining, 208.855469 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: 4140000 724.5166 2028.2569 1956.6268 111.5456 -206516.5910 17927.9884 0.0000 0.0000 34267.6029 -149500.0539 299.2675 -183767.6569 -149407.7404 298.4114 138.7175 170.4408 555162.7487 -1.3757 -1.5487 PRESSURE: 4140200 58.7072 -32.2213 -114.919 -32.2216 68.1758 117.259 -114.92 117.258 148.915 GPRESSURE: 4140200 108.304 -77.8477 -59.8479 -31.8452 130.463 125.368 -85.1865 68.0501 137.784 PRESSAVG: 4140200 23.0102 -33.3926 20.6146 -33.3926 -31.2409 -9.83793 20.6146 -9.83785 46.9304 GPRESSAVG: 4140200 22.1572 -33.0214 21.2787 -33.9005 -30.2445 -8.55313 22.0492 -11.3753 47.0534 TIMING: 4140200 CPU: 12426.7, 0.00304771/step Wall: 12426.7, 0.00304771/step, 0.727896 hours remaining, 208.855469 MB of memory in use. ENERGY: 4140200 745.4417 2090.7507 1958.9846 106.8318 -206600.8947 18087.9027 0.0000 0.0000 33895.9231 -149715.0601 296.0215 -183610.9833 -149620.4385 297.9136 91.9326 125.5169 557332.3683 12.8999 12.9887 LDB: ============= START OF LOAD BALANCING ============== 12430.2 LDB: ============== END OF LOAD BALANCING =============== 12430.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12430.2 LDB: ============= START OF LOAD BALANCING ============== 12430.5 LDB: Largest compute 4820 load 0.024013 is 20.3% of average load 0.118154 LDB: Average compute 0.001719 is 1.5% of average load 0.118154 LDB: TIME 12430.5 LOAD: AVG 0.118154 MAX 0.220737 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.754 MB LDB: TIME 12430.5 LOAD: AVG 0.118154 MAX 0.220737 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.754 MB LDB: TIME 12430.5 LOAD: AVG 0.118154 MAX 0.220737 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.754 MB LDB: ============== END OF LOAD BALANCING =============== 12430.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12430.5 PRESSURE: 4140400 -136.961 -67.4654 -16.4758 -67.4653 -22.4494 -77.2167 -16.4766 -77.2177 -74.7977 GPRESSURE: 4140400 -88.6808 -71.0197 -81.5273 -82.0322 0.0321492 -107.499 187.022 -45.7196 -47.5401 PRESSAVG: 4140400 31.6492 -13.9935 -0.953118 -13.9935 -2.39192 -5.80016 -0.95301 -5.80024 -24.4302 GPRESSAVG: 4140400 32.1945 -14.5194 -0.338643 -14.1863 -2.75766 -6.79685 0.333435 -5.68514 -24.5621 TIMING: 4140400 CPU: 12427.3, 0.00312382/step Wall: 12427.3, 0.00312382/step, 0.745898 hours remaining, 207.824219 MB of memory in use. ENERGY: 4140400 736.0319 2034.6625 1927.3242 130.0962 -206225.8412 17727.4495 0.0000 0.0000 34026.2069 -149644.0700 297.1593 -183670.2769 -149558.7264 297.7164 -78.0694 -45.3962 558295.3097 1.6090 1.6249 PRESSURE: 4140600 -23.9761 -106.797 39.1016 -106.797 -117.325 -83.329 39.1022 -83.3294 290.666 GPRESSURE: 4140600 -21.7846 -110.254 29.9234 -111.148 -29.0157 -5.56781 47.8107 -132.106 284.222 PRESSAVG: 4140600 -42.0736 -43.746 -9.10313 -43.746 43.7113 5.60597 -9.1032 5.60597 -3.84024 GPRESSAVG: 4140600 -40.8456 -43.7926 -9.83006 -41.6706 43.1677 6.57334 -8.16296 5.13572 -4.66429 TIMING: 4140600 CPU: 12428, 0.00305304/step Wall: 12428, 0.00305304/step, 0.728829 hours remaining, 207.824219 MB of memory in use. ENERGY: 4140600 731.8345 2112.4211 1910.0935 106.5225 -206266.6384 17790.6940 0.0000 0.0000 34025.0465 -149590.0264 297.1492 -183615.0728 -149499.2482 298.1901 49.7881 77.8074 556214.8052 -0.7342 -0.7807 PRESSURE: 4140800 4.40585 -17.6683 -56.2527 -17.6696 -79.9944 -55.5396 -56.2518 -55.538 78.0122 GPRESSURE: 4140800 22.6388 14.9246 -58.642 29.7489 -62.58 -132.784 -30.158 40.5658 161.104 PRESSAVG: 4140800 32.0068 -31.5 -4.90868 -31.4998 -11.952 -51.8313 -4.90868 -51.8314 -44.2661 GPRESSAVG: 4140800 30.9398 -31.1675 -4.63214 -33.7473 -11.3827 -53.1377 -6.82186 -50.2625 -43.1937 TIMING: 4140800 CPU: 12428.6, 0.00303118/step Wall: 12428.6, 0.00303118/step, 0.723442 hours remaining, 207.824219 MB of memory in use. ENERGY: 4140800 702.3541 2070.2933 1916.9483 113.6906 -206309.2888 17699.5148 0.0000 0.0000 34326.4112 -149480.0765 299.7811 -183806.4876 -149375.5310 298.9659 0.8079 40.3874 556503.9148 -8.0704 -7.8789 PRESSURE: 4141000 185.241 -75.4913 16.2897 -75.4916 -8.74763 -51.9496 16.2885 -51.9499 90.3372 GPRESSURE: 4141000 241.116 -187.587 26.2597 -29.2067 6.61641 13.3017 -24.5682 -160.102 122.342 PRESSAVG: 4141000 0.631947 3.24012 -65.4724 3.24017 49.0107 -18.3308 -65.4723 -18.3309 -1.41679 GPRESSAVG: 4141000 -0.132339 1.53924 -64.2101 3.41458 49.3482 -17.5527 -67.0899 -19.2076 -0.945077 TIMING: 4141000 CPU: 12429.2, 0.00305989/step Wall: 12429.2, 0.00305989/step, 0.730123 hours remaining, 207.824219 MB of memory in use. ENERGY: 4141000 713.6129 2101.0053 1914.5145 103.5556 -206740.0348 18132.1842 0.0000 0.0000 34248.9875 -149526.1748 299.1049 -183775.1623 -149426.3332 298.9921 88.9434 123.3583 556899.6344 16.0753 16.0903 PRESSURE: 4141200 291.051 -207.51 -0.453589 -207.511 51.1383 101.296 -0.453096 101.297 76.3197 GPRESSURE: 4141200 260.685 -180.487 66.0915 -262.796 91.6662 47.6126 -7.97863 66.6665 158.774 PRESSAVG: 4141200 31.0766 -15.9438 16.7886 -15.9439 18.2588 -5.21573 16.7886 -5.21571 -58.6188 GPRESSAVG: 4141200 31.8664 -14.9475 16.5365 -15.2958 17.547 -4.37964 17.583 -7.6493 -58.4195 TIMING: 4141200 CPU: 12429.8, 0.00305593/step Wall: 12429.8, 0.00305593/step, 0.72901 hours remaining, 207.824219 MB of memory in use. ENERGY: 4141200 707.4816 2088.6577 1921.0261 103.4976 -206531.2965 17994.0290 0.0000 0.0000 34251.0821 -149465.5225 299.1232 -183716.6045 -149364.4397 299.1345 139.5030 170.3751 556715.6117 -3.0945 -3.0020 PRESSURE: 4141400 55.5417 -85.2583 -2.02033 -85.2581 28.74 141.067 -2.02056 141.068 -112.474 GPRESSURE: 4141400 110.36 -105.35 -82.3995 -206.96 55.0969 137.831 20.9303 152.085 -93.8042 PRESSAVG: 4141400 -17.9856 -21.4388 26.5805 -21.4389 26.0374 33.2389 26.5805 33.2388 -62.5365 GPRESSAVG: 4141400 -17.9953 -21.9786 25.8081 -21.7324 27.2188 31.0935 26.819 34.6041 -63.5466 TIMING: 4141400 CPU: 12430.4, 0.00306289/step Wall: 12430.4, 0.00306289/step, 0.7305 hours remaining, 207.824219 MB of memory in use. ENERGY: 4141400 745.6015 2059.5993 1940.8066 124.1202 -206445.2338 17764.2368 0.0000 0.0000 34235.8357 -149575.0337 298.9901 -183810.8694 -149481.7604 298.4853 -9.3975 23.8841 556186.9206 -18.1616 -18.1077 PRESSURE: 4141600 96.232 153.283 -123.852 153.282 -82.3703 54.3275 -123.851 54.3272 218.724 GPRESSURE: 4141600 117.425 113.408 -42.7034 54.4142 -46.5686 3.87968 -140.736 -12.7207 257.863 PRESSAVG: 4141600 27.0653 -64.7209 56.1334 -64.7209 -5.16827 47.6148 56.1334 47.6148 -54.945 GPRESSAVG: 4141600 25.841 -64.0447 55.7902 -65.6713 -4.03897 49.4868 58.5563 47.6393 -54.955 TIMING: 4141600 CPU: 12431, 0.00303628/step Wall: 12431, 0.00303628/step, 0.723985 hours remaining, 207.824219 MB of memory in use. ENERGY: 4141600 758.9284 2102.6463 1945.9509 118.9459 -206486.8150 17966.8858 0.0000 0.0000 34155.0914 -149438.3664 298.2849 -183593.4578 -149344.5199 298.6818 77.5284 109.5731 556216.0082 -11.0160 -11.0510 PRESSURE: 4141800 156.558 -48.724 -80.2368 -48.7241 13.9989 77.3459 -80.2375 77.3459 67.3909 GPRESSURE: 4141800 209.803 10.5595 -120.614 44.9163 27.2128 84.3878 -116.573 32.7413 95.072 PRESSAVG: 4141800 48.4856 -56.0848 34.4771 -56.0848 -66.1679 -32.5598 34.477 -32.5597 28.0169 GPRESSAVG: 4141800 50.142 -57.4832 34.679 -55.4254 -67.4965 -36.1574 32.6628 -30.2846 28.142 TIMING: 4141800 CPU: 12431.6, 0.00305304/step Wall: 12431.6, 0.00305304/step, 0.72781 hours remaining, 207.824219 MB of memory in use. ENERGY: 4141800 747.3227 2116.7259 1908.1443 114.9953 -206719.5667 17954.8199 0.0000 0.0000 34516.7658 -149360.7929 301.4435 -183877.5586 -149266.1396 298.8515 79.3160 110.6959 555552.6894 3.4449 3.5958 PRESSURE: 4142000 80.3242 247.358 77.9998 247.357 -67.9113 131.45 77.9997 131.45 -203.424 GPRESSURE: 4142000 91.6401 219.056 135.495 202.154 -39.2544 168.905 35.1121 122.547 -156.269 PRESSAVG: 4142000 -6.35756 -19.9408 -31.9793 -19.9408 12.22 26.1882 -31.9792 26.1881 -25.845 GPRESSAVG: 4142000 -6.80445 -20.5021 -31.3781 -19.6171 12.2797 29.5671 -32.175 23.4741 -25.249 TIMING: 4142000 CPU: 12432.2, 0.00305113/step Wall: 12432.2, 0.00305113/step, 0.727185 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: 4142000 743.6720 2097.6346 1910.0607 105.8013 -206283.1464 17768.0098 0.0000 0.0000 34225.2238 -149432.7442 298.8974 -183657.9680 -149337.4260 299.0942 -63.6703 -34.6278 557818.8913 -6.6608 -6.5913 PRESSURE: 4142200 -155.305 14.1858 -116.919 14.186 34.7782 -36.8979 -116.919 -36.8977 -58.7288 GPRESSURE: 4142200 -165.971 52.3055 -22.6012 12.2713 82.1697 67.0165 -179.495 -91.4983 -22.1139 PRESSAVG: 4142200 4.61948 20.3337 17.4606 20.3337 -8.82658 -4.25889 17.4605 -4.25893 -26.2784 GPRESSAVG: 4142200 3.75516 21.3736 16.2541 19.0063 -9.08829 -2.47868 17.114 -3.21664 -25.7071 TIMING: 4142200 CPU: 12432.8, 0.00304777/step Wall: 12432.8, 0.00304777/step, 0.726217 hours remaining, 207.824219 MB of memory in use. ENERGY: 4142200 760.2012 2124.5976 1932.9780 111.7968 -206219.4104 17728.6839 0.0000 0.0000 34341.2219 -149219.9310 299.9104 -183561.1529 -149124.2481 299.4964 -59.7517 -35.3051 557004.3976 -10.1618 -10.3467 PRESSURE: 4142400 40.3306 -106.842 58.934 -106.843 -413.365 163.132 58.9348 163.129 35.3884 GPRESSURE: 4142400 30.6476 -95.8516 73.7332 -101.066 -378.757 166.081 79.4884 105.873 99.379 PRESSAVG: 4142400 1.48956 -29.6273 -24.6682 -29.6273 16.2334 -31.8945 -24.6682 -31.8945 -35.6318 GPRESSAVG: 4142400 2.71251 -29.0118 -25.0177 -30.9636 16.4271 -36.231 -23.7949 -30.7786 -36.4394 TIMING: 4142400 CPU: 12433.4, 0.00303384/step Wall: 12433.4, 0.00303384/step, 0.722727 hours remaining, 207.824219 MB of memory in use. ENERGY: 4142400 759.0889 2154.5533 1932.4991 108.7267 -205976.0614 17525.7630 0.0000 0.0000 34443.3132 -149052.1172 300.8020 -183495.4304 -148954.8358 299.4204 -112.5487 -82.9101 556117.7355 -5.9696 -5.7666 PRESSURE: 4142600 113.958 161.394 57.2335 161.394 16.8678 41.3159 57.2328 41.3142 -79.6605 GPRESSURE: 4142600 86.615 126.997 55.6453 92.6485 52.58 58.6103 45.1337 -38.8921 7.24942 PRESSAVG: 4142600 17.125 -12.377 2.29861 -12.377 -58.0008 11.8155 2.29876 11.8155 58.0431 GPRESSAVG: 4142600 15.9729 -12.6714 3.57421 -10.6273 -58.8727 12.0818 -1.01772 9.44524 60.0199 TIMING: 4142600 CPU: 12434.1, 0.00305511/step Wall: 12434.1, 0.00305511/step, 0.727625 hours remaining, 207.824219 MB of memory in use. ENERGY: 4142600 753.3130 2073.5085 1987.1092 110.6394 -206274.1609 18042.4518 0.0000 0.0000 34454.4094 -148852.7295 300.8989 -183307.1389 -148751.9128 300.3247 17.0550 48.8148 558288.1173 5.7224 5.7067 PRESSURE: 4142800 -109.276 103.755 -63.8895 103.754 -160.286 72.6659 -63.8893 72.666 -50.727 GPRESSURE: 4142800 -97.0279 110.434 -69.6746 66.2297 -145.568 33.8162 -109.766 191.326 5.86252 PRESSAVG: 4142800 8.72736 -20.009 42.7814 -20.0091 34.2995 15.9224 42.7815 15.9223 -53.2584 GPRESSAVG: 4142800 8.68617 -20.2733 41.0605 -22.4719 34.3395 17.3295 44.7664 18.7165 -52.5956 TIMING: 4142800 CPU: 12434.7, 0.00304819/step Wall: 12434.7, 0.00304819/step, 0.725808 hours remaining, 207.824219 MB of memory in use. ENERGY: 4142800 760.0600 2168.5979 1936.9402 117.9387 -205830.5535 17671.4197 0.0000 0.0000 34258.9361 -148916.6609 299.1918 -183175.5970 -148818.3941 300.4651 -106.7630 -78.9110 559226.0685 -3.4105 -3.1900 PRESSURE: 4143000 -124.338 -94.008 37.3846 -94.0068 -314.547 -115.033 37.384 -115.034 101.9 GPRESSURE: 4143000 -58.8651 -118.373 -2.64408 -137.8 -252.056 -96.2288 10.2026 -78.2003 71.9131 PRESSAVG: 4143000 -13.241 1.58113 -2.17937 1.58109 -29.7493 27.3878 -2.17931 27.3878 48.7825 GPRESSAVG: 4143000 -13.0704 0.976872 0.122285 3.55996 -29.2862 26.2326 -2.26834 27.1844 47.7139 TIMING: 4143000 CPU: 12435.3, 0.00302567/step Wall: 12435.3, 0.00302567/step, 0.720278 hours remaining, 207.824219 MB of memory in use. ENERGY: 4143000 761.7725 2120.6811 1944.5556 116.0251 -205919.4261 17642.7402 0.0000 0.0000 34284.5291 -149049.1225 299.4153 -183333.6516 -148950.0101 299.9108 -112.3287 -79.6693 558908.5462 1.9307 1.7858 PRESSURE: 4143200 38.2286 90.0115 39.2855 90.0118 33.6395 69.021 39.2847 69.0188 -145.47 GPRESSURE: 4143200 79.9574 51.3709 61.5349 29.0769 37.6298 -4.23439 115.022 67.2609 -90.8754 PRESSAVG: 4143200 39.1477 -33.2661 36.6182 -33.2661 -20.7215 36.88 36.6183 36.88 -51.8497 GPRESSAVG: 4143200 39.5358 -30.6118 37.0599 -34.4515 -19.7882 38.149 36.2012 35.1258 -53.42 TIMING: 4143200 CPU: 12435.9, 0.00304771/step Wall: 12435.9, 0.00304771/step, 0.725355 hours remaining, 207.824219 MB of memory in use. ENERGY: 4143200 750.4350 2109.5439 1937.4887 119.7955 -206415.4512 17936.7340 0.0000 0.0000 34262.9879 -149298.4662 299.2272 -183561.4541 -149200.9847 298.6040 -24.5341 8.9040 558689.1069 -11.1412 -11.2241 PRESSURE: 4143400 -40.8003 32.6886 100.591 32.6881 251.709 51.7267 100.593 51.726 55.2767 GPRESSURE: 4143400 28.6763 36.3032 155.744 21.8048 283.917 29.8307 31.4589 120.088 46.4835 PRESSAVG: 4143400 6.02557 -9.13106 -42.5385 -9.13106 -8.16466 25.3092 -42.5385 25.3092 16.1177 GPRESSAVG: 4143400 6.90546 -8.52182 -44.5262 -9.54731 -9.00046 22.7479 -40.7216 27.222 16.1263 TIMING: 4143400 CPU: 12436.5, 0.00303675/step Wall: 12436.5, 0.00303675/step, 0.722578 hours remaining, 207.824219 MB of memory in use. ENERGY: 4143400 735.0206 2071.8998 1934.2377 126.5452 -206477.0703 18003.5557 0.0000 0.0000 34223.6371 -149382.1742 298.8835 -183605.8113 -149288.5620 299.0777 88.7285 119.6924 557644.3501 4.6595 4.6771 PRESSURE: 4143600 -159.998 54.9863 154.817 54.9859 -13.3518 28.8189 154.816 28.8196 199.392 GPRESSURE: 4143600 -164.092 60.1099 170.832 10.3094 21.5118 -85.1354 102.932 37.7236 264.775 PRESSAVG: 4143600 -16.5942 -19.5752 -5.61283 -19.5752 29.8707 3.98115 -5.61281 3.98113 -25.1524 GPRESSAVG: 4143600 -17.1593 -21.6825 -5.9267 -18.7906 28.7606 6.60052 -5.75686 0.874842 -23.3393 TIMING: 4143600 CPU: 12437.1, 0.00302434/step Wall: 12437.1, 0.00302434/step, 0.719458 hours remaining, 207.824219 MB of memory in use. ENERGY: 4143600 754.2731 2108.8815 1953.0653 107.0041 -206345.6657 17975.2530 0.0000 0.0000 34080.0971 -149367.0915 297.6300 -183447.1887 -149275.5490 298.3472 8.6806 40.7315 557831.3600 -3.9587 -3.9127 PRESSURE: 4143800 187.859 -173.428 -130.686 -173.427 62.1812 -1.34637 -130.685 -1.34586 77.175 GPRESSURE: 4143800 179.584 -121.606 -198.724 -144.304 85.4603 2.20611 -39.225 30.5218 165.401 PRESSAVG: 4143800 -11.7595 37.6402 -36.3724 37.6402 31.4383 4.32763 -36.3726 4.32742 -46.8465 GPRESSAVG: 4143800 -11.6135 38.5854 -35.5623 37.9435 31.9845 4.65116 -35.6164 3.55359 -47.3061 TIMING: 4143800 CPU: 12437.7, 0.00303101/step Wall: 12437.7, 0.003031/step, 0.720874 hours remaining, 207.824219 MB of memory in use. ENERGY: 4143800 721.0313 2125.3590 1981.2215 114.8826 -206535.8846 18060.8767 0.0000 0.0000 34157.7010 -149374.8125 298.3077 -183532.5135 -149283.6738 298.7609 109.0716 143.4819 556824.6518 -9.0559 -8.9784 PRESSURE: 4144000 248.417 -19.1753 203.725 -19.1754 253.546 22.29 203.725 22.2905 -125.192 GPRESSURE: 4144000 265.303 17.8284 166.109 -28.8048 321.627 50.1239 212.269 -32.019 -111.842 PRESSAVG: 4144000 -30.5596 6.93193 43.2605 6.93192 59.2536 2.2012 43.2605 2.20122 -14.6372 GPRESSAVG: 4144000 -28.772 6.79449 43.6055 6.17614 58.7365 1.86163 41.3148 4.34989 -15.7726 TIMING: 4144000 CPU: 12438.3, 0.00302988/step Wall: 12438.3, 0.00302988/step, 0.720438 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: 4144000 774.0911 2075.0919 1937.8182 111.9175 -206665.8019 18130.5753 0.0000 0.0000 34311.2033 -149325.1045 299.6483 -183636.3078 -149232.0417 298.9965 125.5906 158.3627 556961.5555 4.6856 4.7306 PRESSURE: 4144200 -43.6364 206.509 49.4385 206.507 321.521 170.147 49.4387 170.147 12.9742 GPRESSURE: 4144200 4.98303 183.686 46.797 158.568 356.918 105.777 26.3622 106.411 20.4032 PRESSAVG: 4144200 -14.6616 6.26263 16.7664 6.26272 123.469 24.2157 16.7665 24.2157 -41.0299 GPRESSAVG: 4144200 -16.8261 4.11713 16.9681 6.91582 124.779 26.3889 17.5024 23.8435 -40.7395 TIMING: 4144200 CPU: 12438.9, 0.00303147/step Wall: 12438.9, 0.00303147/step, 0.720648 hours remaining, 207.824219 MB of memory in use. ENERGY: 4144200 720.7289 2117.3580 1926.0817 129.4658 -206393.4752 17754.0494 0.0000 0.0000 34443.3850 -149302.4064 300.8026 -183745.7914 -149201.3614 298.7658 96.9529 127.4346 555978.8173 22.5926 22.4045 LDB: ============= START OF LOAD BALANCING ============== 12442.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12442.3 LDB: =============== DONE WITH MIGRATION ================ 12442.3 LDB: ============= START OF LOAD BALANCING ============== 12442.7 LDB: Largest compute 4820 load 0.024315 is 20.6% of average load 0.118179 LDB: Average compute 0.001718 is 1.5% of average load 0.118179 LDB: TIME 12442.7 LOAD: AVG 0.118179 MAX 0.22281 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.785 MB LDB: TIME 12442.7 LOAD: AVG 0.118179 MAX 0.22281 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.855 MB LDB: TIME 12442.7 LOAD: AVG 0.118179 MAX 0.22281 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.855 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12442.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12442.7 PRESSURE: 4144400 -308.625 -181.571 -41.2302 -181.571 -153.691 188.664 -41.2287 188.664 -251.282 GPRESSURE: 4144400 -274.552 -261.114 -53.9227 -192.711 -110.201 227.701 12.2105 215.631 -247.449 PRESSAVG: 4144400 -28.5781 3.90424 68.6865 3.90429 33.508 84.8274 68.6866 84.8274 -17.45 GPRESSAVG: 4144400 -28.0863 4.26179 67.7084 5.97054 33.8065 83.0854 69.358 84.0112 -18.1139 TIMING: 4144400 CPU: 12439.5, 0.0031172/step Wall: 12439.5, 0.0031172/step, 0.740854 hours remaining, 208.023438 MB of memory in use. ENERGY: 4144400 768.8498 2074.6902 1917.4188 113.1430 -205968.1427 17396.0833 0.0000 0.0000 34237.2467 -149460.7110 299.0024 -183697.9577 -149365.0111 299.1230 -237.8662 -210.7343 557048.1102 -4.1734 -4.1312 PRESSURE: 4144600 -189.102 16.752 75.1798 16.7528 -67.7909 15.6344 75.1788 15.6344 -59.9246 GPRESSURE: 4144600 -151.278 10.99 44.6497 85.106 -89.9257 14.7989 88.5042 -50.2787 20.7666 PRESSAVG: 4144600 -16.1032 -31.0504 18.2474 -31.0504 42.7254 37.2055 18.2474 37.2054 -0.408791 GPRESSAVG: 4144600 -15.3766 -27.8765 18.0469 -34.8783 41.4943 37.0597 19.8299 39.6965 0.21586 TIMING: 4144600 CPU: 12440.1, 0.00304931/step Wall: 12440.1, 0.00304931/step, 0.72455 hours remaining, 208.023438 MB of memory in use. ENERGY: 4144600 757.7940 2105.6851 1938.5242 125.2417 -206366.0095 17582.9733 0.0000 0.0000 34411.8853 -149443.9060 300.5276 -183855.7912 -149345.8843 298.6099 -105.6059 -73.4790 556838.1706 8.7378 8.7778 PRESSURE: 4144800 -239.323 -47.3951 -4.64183 -47.3941 85.0617 -196.468 -4.64231 -196.469 -126.438 GPRESSURE: 4144800 -177.865 -57.0501 3.1508 40.839 133.236 -236.83 -31.5527 -192.457 -144.527 PRESSAVG: 4144800 -18.3122 1.49582 38.4567 1.49588 -15.325 4.73904 38.4566 4.73917 -17.217 GPRESSAVG: 4144800 -19.4348 -0.519098 38.055 3.21307 -14.9712 1.49101 38.0561 4.46774 -16.6104 TIMING: 4144800 CPU: 12440.7, 0.00303916/step Wall: 12440.7, 0.00303916/step, 0.72197 hours remaining, 208.023438 MB of memory in use. ENERGY: 4144800 733.8441 2130.0147 1938.6727 109.6684 -206122.3458 17729.8469 0.0000 0.0000 34114.2965 -149366.0025 297.9286 -183480.2990 -149269.8241 299.1913 -93.5665 -63.0519 558038.3477 -16.9514 -17.0055 PRESSURE: 4145000 -339.597 41.9407 -36.0803 41.9384 -250.581 -71.6218 -36.0806 -71.6214 -183.586 GPRESSURE: 4145000 -289.602 -32.8705 18.716 107.997 -203.716 -81.1411 -107.458 -61.6283 -190.885 PRESSAVG: 4145000 -58.0809 17.38 -0.52954 17.38 91.7159 12.9297 -0.529615 12.9297 -4.17666 GPRESSAVG: 4145000 -57.6586 17.3322 1.50746 15.9328 92.7846 15.5496 -3.95736 11.5737 -5.44168 TIMING: 4145000 CPU: 12441.4, 0.00302958/step Wall: 12441.4, 0.00302958/step, 0.719525 hours remaining, 208.023438 MB of memory in use. ENERGY: 4145000 752.4719 2010.1566 1943.8103 113.3823 -206035.0641 17617.9841 0.0000 0.0000 34244.7523 -149352.5066 299.0679 -183597.2589 -149253.7769 298.8635 -257.9214 -228.0673 558680.5879 9.8194 9.8948 PRESSURE: 4145200 -53.0351 -45.5248 -97.2252 -45.5236 -109.774 48.2325 -97.225 48.2309 -82.8211 GPRESSURE: 4145200 -58.486 -67.7433 -42.7959 12.3457 -36.9281 88.4455 -90.0235 15.6377 -55.0183 PRESSAVG: 4145200 -47.4787 15.1922 42.3126 15.1922 -20.3604 30.4258 42.3127 30.4258 52.4055 GPRESSAVG: 4145200 -46.5774 13.7436 42.0066 16.9013 -22.0584 29.3043 44.8174 30.3334 52.4027 TIMING: 4145200 CPU: 12442, 0.00304661/step Wall: 12442, 0.00304661/step, 0.7234 hours remaining, 208.023438 MB of memory in use. ENERGY: 4145200 745.1413 2110.0064 1945.9364 110.7568 -205975.5445 17558.4586 0.0000 0.0000 34275.3484 -149229.8966 299.3351 -183505.2449 -149141.4847 298.4827 -81.8768 -50.1441 556443.3461 -5.1445 -5.4110 PRESSURE: 4145400 -56.1948 28.6459 2.65565 28.6462 -346.005 68.9843 2.65455 68.9849 -236.458 GPRESSURE: 4145400 -25.7991 21.9447 -14.1178 45.6689 -283.487 94.6821 61.9793 119.659 -240.618 PRESSAVG: 4145400 11.1307 -28.6548 10.6535 -28.6548 -39.8634 16.0876 10.6534 16.0875 61.3135 GPRESSAVG: 4145400 9.48313 -26.0916 9.44195 -30.7322 -39.3051 15.3943 11.9033 18.0107 62.3398 TIMING: 4145400 CPU: 12442.6, 0.00304917/step Wall: 12442.6, 0.00304917/step, 0.72384 hours remaining, 208.023438 MB of memory in use. ENERGY: 4145400 777.3489 2065.5628 1929.0568 118.5422 -205891.0853 17684.3121 0.0000 0.0000 34113.6320 -149202.6306 297.9228 -183316.2626 -149115.8435 299.2867 -212.8859 -183.3015 557313.7021 10.8603 10.8393 PRESSURE: 4145600 -43.0331 98.2845 -15.3454 98.285 47.006 86.6259 -15.3456 86.6248 95.9531 GPRESSURE: 4145600 -6.47439 82.5662 16.7561 136.741 53.441 126.777 -17.403 39.0791 143.921 PRESSAVG: 4145600 -6.94276 -58.762 30.1683 -58.762 44.2852 14.9558 30.1683 14.9558 -43.1586 GPRESSAVG: 4145600 -4.80157 -60.8645 28.3925 -56.7959 43.296 16.1396 29.645 14.0482 -44.1359 TIMING: 4145600 CPU: 12443.2, 0.00302744/step Wall: 12443.2, 0.00302744/step, 0.718512 hours remaining, 208.023438 MB of memory in use. ENERGY: 4145600 789.4946 2134.4141 1931.4922 106.4422 -206541.5896 17978.9270 0.0000 0.0000 34116.7570 -149484.0625 297.9501 -183600.8195 -149389.3974 298.4790 33.3087 63.6291 555779.0770 -1.9387 -1.8805 PRESSURE: 4145800 -54.6135 -50.6441 -55.8571 -50.6446 -60.7071 52.034 -55.8571 52.0326 -147.859 GPRESSURE: 4145800 34.4627 -68.161 -35.4496 -10.9767 -32.2656 -28.6465 -40.9229 15.9952 -174.145 PRESSAVG: 4145800 1.25161 -37.051 -11.6641 -37.0509 47.4443 15.1562 -11.6641 15.1563 -57.0532 GPRESSAVG: 4145800 -0.21376 -35.2409 -7.96784 -37.7496 48.8242 15.0251 -13.4712 14.843 -57.4244 TIMING: 4145800 CPU: 12443.8, 0.00302956/step Wall: 12443.8, 0.00302956/step, 0.718846 hours remaining, 208.023438 MB of memory in use. ENERGY: 4145800 767.0286 2121.2817 1909.4505 119.8731 -206674.5590 18010.8118 0.0000 0.0000 34396.9754 -149349.1379 300.3973 -183746.1133 -149256.7557 299.1356 -87.7267 -57.3160 558047.5442 -2.7858 -2.9380 PRESSURE: 4146000 148.624 -32.9661 -142.005 -32.9655 -29.4955 -146.131 -142.005 -146.131 -60.6139 GPRESSURE: 4146000 162.652 -105.721 -147.322 38.2902 11.0431 -225.339 -61.3605 -93.0008 -15.7019 PRESSAVG: 4146000 123.389 -19.2611 23.4042 -19.2611 -16.8214 -9.27639 23.4042 -9.27623 -81.9967 GPRESSAVG: 4146000 123.478 -19.8631 21.4084 -19.8384 -17.3745 -9.593 24.8364 -10.1616 -80.5129 TIMING: 4146000 CPU: 12444.4, 0.0030197/step Wall: 12444.4, 0.0030197/step, 0.71634 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: 4146000 740.7103 2075.5286 1928.6572 123.7701 -206461.9196 17931.3306 0.0000 0.0000 34073.3767 -149588.5462 297.5713 -183661.9228 -149495.6357 298.8025 19.5049 52.6644 557464.6201 8.1903 8.5304 PRESSURE: 4146200 47.6762 -187.38 -86.3184 -187.378 -222.051 114.923 -86.3176 114.924 14.1563 GPRESSURE: 4146200 92.3179 -227.277 -105.733 -136.382 -188.101 146.908 -116.598 121.809 35.8473 PRESSAVG: 4146200 62.7781 28.2843 10.0411 28.2844 -18.5174 2.29649 10.0411 2.29646 14.9231 GPRESSAVG: 4146200 63.1552 27.9424 9.71719 28.9071 -19.2497 2.25789 9.61891 2.93402 14.4766 TIMING: 4146200 CPU: 12445, 0.0030396/step Wall: 12445, 0.0030396/step, 0.720891 hours remaining, 208.023438 MB of memory in use. ENERGY: 4146200 731.3278 2091.1750 1954.7700 113.2978 -206648.8624 17822.0319 0.0000 0.0000 34407.1636 -149529.0963 300.4863 -183936.2599 -149439.4208 298.4578 -53.4062 -19.9786 556256.5069 19.7279 19.4607 PRESSURE: 4146400 87.4505 113.048 -34.4497 113.048 27.9625 -33.4989 -34.4506 -33.4997 -61.6917 GPRESSURE: 4146400 97.3375 78.7961 -13.08 76.156 45.3864 -41.506 5.02139 -2.97987 27.0175 PRESSAVG: 4146400 85.9042 -3.20544 4.55395 -3.20533 -44.3343 -7.06688 4.55376 -7.06694 -41.2156 GPRESSAVG: 4146400 85.4886 -4.43296 6.09524 -0.689399 -43.6459 -5.27009 2.02764 -7.35909 -41.1683 TIMING: 4146400 CPU: 12445.6, 0.00304419/step Wall: 12445.6, 0.00304419/step, 0.721812 hours remaining, 208.023438 MB of memory in use. ENERGY: 4146400 734.2668 2083.9167 1920.8855 110.7005 -206408.5616 17841.1345 0.0000 0.0000 34165.1883 -149552.4693 298.3731 -183717.6576 -149456.6993 298.1302 17.9071 56.5805 556513.4818 0.1181 0.2248 PRESSURE: 4146600 -38.534 96.4477 99.1647 96.4473 16.7084 -6.86012 99.1625 -6.86034 -173.865 GPRESSURE: 4146600 28.1962 87.7225 65.7869 110.541 73.4787 34.6065 51.1082 -41.131 -216.448 PRESSAVG: 4146600 42.1664 -7.55215 -11.9458 -7.55207 0.0940619 16.3601 -11.9457 16.3601 -78.759 GPRESSAVG: 4146600 41.9255 -4.9308 -14.934 -10.5312 0.556506 13.9764 -9.0825 18.5385 -78.965 TIMING: 4146600 CPU: 12446.2, 0.00303309/step Wall: 12446.2, 0.00303309/step, 0.71901 hours remaining, 208.023438 MB of memory in use. ENERGY: 4146600 786.6400 2089.6611 1936.5285 109.8510 -206347.3985 17558.0644 0.0000 0.0000 34305.8832 -149560.7704 299.6018 -183866.6536 -149463.8527 298.1292 -65.2303 -38.2577 555564.7481 -12.1662 -12.1610 PRESSURE: 4146800 -12.4462 -64.1956 -61.413 -64.1954 308.35 13.3141 -61.4129 13.3146 -10.0296 GPRESSURE: 4146800 29.109 -29.9997 -168.05 -68.2236 315.758 45.8992 -30.3807 -24.3583 41.1966 PRESSAVG: 4146800 25.7144 -28.068 40.5008 -28.068 -2.58361 38.3929 40.5008 38.3929 2.52966 GPRESSAVG: 4146800 26.6575 -30.2622 44.4857 -27.7365 -3.41357 39.4335 39.8127 35.5364 2.1124 TIMING: 4146800 CPU: 12446.8, 0.00302318/step Wall: 12446.8, 0.00302318/step, 0.716493 hours remaining, 208.023438 MB of memory in use. ENERGY: 4146800 729.6199 2119.8092 1945.8118 106.4114 -206637.2390 18008.8477 0.0000 0.0000 34148.9770 -149577.7620 298.2315 -183726.7390 -149469.5273 298.1376 95.2914 128.6879 556671.8784 8.5535 8.4521 PRESSURE: 4147000 -139.927 -70.4068 139.575 -70.4067 10.7786 71.2814 139.576 71.2809 129.308 GPRESSURE: 4147000 -96.4793 -69.7767 126.894 -87.3692 80.818 106.74 115.404 106.131 124.607 PRESSAVG: 4147000 18.9187 2.17685 -44.9526 2.17674 7.84892 61.9431 -44.9526 61.9432 -40.2331 GPRESSAVG: 4147000 18.0529 2.0994 -46.3182 3.36137 9.1946 62.0251 -44.0076 61.2193 -41.4056 TIMING: 4147000 CPU: 12447.4, 0.00302981/step Wall: 12447.4, 0.00302982/step, 0.717898 hours remaining, 208.023438 MB of memory in use. ENERGY: 4147000 754.4202 2136.6099 1933.4311 111.2722 -206654.4104 17953.4720 0.0000 0.0000 34148.2506 -149616.9543 298.2252 -183765.2049 -149519.7610 298.1658 0.0533 36.3154 558223.8684 -4.4885 -4.7194 PRESSURE: 4147200 -132.621 17.8473 -151.07 17.8464 -121.451 137.552 -151.069 137.553 -187.356 GPRESSURE: 4147200 -148.775 -4.24305 -193.128 60.4278 -86.8015 172.377 -55.1845 149.447 -109.157 PRESSAVG: 4147200 -37.3544 15.1604 -48.8067 15.1604 12.8535 66.0108 -48.8066 66.0107 -7.48262 GPRESSAVG: 4147200 -37.4096 17.585 -48.8696 13.7549 12.2603 65.6051 -49.1064 66.3488 -6.70126 TIMING: 4147200 CPU: 12448, 0.00301959/step Wall: 12448, 0.00301959/step, 0.715307 hours remaining, 208.023438 MB of memory in use. ENERGY: 4147200 768.2766 2177.0242 1943.9648 104.0499 -206278.1466 17638.8579 0.0000 0.0000 34073.1764 -149572.7969 297.5695 -183645.9733 -149475.0261 298.0056 -147.1428 -114.9113 557252.2165 -10.6612 -10.6169 PRESSURE: 4147400 -12.4146 -88.3891 264.924 -88.39 -335.61 51.4504 264.924 51.4516 -162.776 GPRESSURE: 4147400 12.9085 44.0198 297.074 -124.855 -259.422 40.4791 222.958 54.0569 -168.889 PRESSAVG: 4147400 22.5106 -1.70773 -9.74864 -1.70772 24.2853 31.5267 -9.74864 31.5268 -32.8365 GPRESSAVG: 4147400 22.902 -3.18883 -9.34917 0.0948259 22.8117 31.6782 -9.35676 33.88 -31.7959 TIMING: 4147400 CPU: 12448.6, 0.00304254/step Wall: 12448.6, 0.00304254/step, 0.720576 hours remaining, 208.050781 MB of memory in use. ENERGY: 4147400 745.8237 2102.9509 1923.8097 124.4184 -205998.4449 17531.0009 0.0000 0.0000 34133.9554 -149436.4858 298.1003 -183570.4412 -149343.9573 298.6104 -170.2669 -138.4675 557525.3500 4.6531 4.6393 PRESSURE: 4147600 44.4643 -133.034 -88.1477 -133.035 8.25008 2.28509 -88.1493 2.28483 208.339 GPRESSURE: 4147600 81.476 -175.012 -169.473 -204.221 79.7959 104.588 -45.4521 -72.8522 197.934 PRESSAVG: 4147600 -17.4544 -3.5807 11.2501 -3.58061 6.32188 31.1315 11.2501 31.1315 18.1891 GPRESSAVG: 4147600 -17.4181 -3.31096 8.92866 -4.35897 6.66209 31.04 13.1996 29.7159 17.4502 TIMING: 4147600 CPU: 12449.2, 0.00303313/step Wall: 12449.2, 0.00303313/step, 0.718178 hours remaining, 208.050781 MB of memory in use. ENERGY: 4147600 737.0013 2089.6445 1965.9615 118.1243 -206713.0688 18005.1550 0.0000 0.0000 34280.3191 -149516.8631 299.3786 -183797.1821 -149419.2543 298.2198 87.0178 119.7352 557068.5540 2.3522 2.2314 PRESSURE: 4147800 -8.39085 -67.5143 18.8413 -67.5148 -45.057 95.4076 18.8411 95.4058 -20.3242 GPRESSURE: 4147800 42.3387 -60.5393 71.251 -113.474 30.0906 230.136 1.505 -0.155854 -50.2257 PRESSAVG: 4147800 -32.9512 17.5662 18.7309 17.5662 -20.416 39.999 18.7308 39.9992 19.1873 GPRESSAVG: 4147800 -33.3854 15.2954 19.9846 17.2202 -19.8861 39.3568 18.0055 41.345 19.0925 TIMING: 4147800 CPU: 12449.9, 0.00306826/step Wall: 12449.9, 0.00306826/step, 0.726326 hours remaining, 208.050781 MB of memory in use. ENERGY: 4147800 722.6201 2043.5157 1931.1619 117.0034 -206492.7342 17937.3959 0.0000 0.0000 34184.7214 -149556.3158 298.5437 -183741.0372 -149455.5451 297.8648 -24.5907 7.4012 558105.4535 -11.3933 -11.3930 PRESSURE: 4148000 102.863 53.0663 280.534 53.0672 -82.6967 -18.7627 280.534 -18.7631 -30.3379 GPRESSURE: 4148000 133.533 65.0338 307.777 29.6729 -30.6506 -25.8675 271.046 -59.5277 -23.3274 PRESSAVG: 4148000 10.7008 61.3391 -13.5021 61.3391 -15.0247 19.2294 -13.5021 19.2294 -10.2954 GPRESSAVG: 4148000 10.4713 62.9169 -14.1066 63.4654 -15.4086 18.9968 -14.7969 17.6394 -9.79167 TIMING: 4148000 CPU: 12450.5, 0.00305648/step Wall: 12450.5, 0.00305648/step, 0.723367 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: 4148000 763.6535 2104.0935 1911.9005 95.9284 -206445.6277 17943.9628 0.0000 0.0000 34257.8120 -149368.2770 299.1820 -183626.0889 -149268.0011 297.8165 -3.3904 26.5182 557158.5560 -4.8731 -4.9097 PRESSURE: 4148200 224.107 112.164 78.6702 112.164 -166.458 7.42348 78.6721 7.42283 -58.0645 GPRESSURE: 4148200 255.09 61.546 36.2419 96.6563 -98.4915 42.3578 60.9873 -8.67614 -51.6333 PRESSAVG: 4148200 -33.3474 -23.7293 -5.42825 -23.7293 9.49119 67.2564 -5.42818 67.2564 16.4066 GPRESSAVG: 4148200 -33.1366 -23.7369 -4.69137 -23.8978 10.0575 66.3777 -5.00955 69.2804 16.0557 TIMING: 4148200 CPU: 12451.1, 0.00307059/step Wall: 12451.1, 0.00307059/step, 0.726536 hours remaining, 208.050781 MB of memory in use. ENERGY: 4148200 738.4651 2112.6259 1958.9269 116.2898 -206205.1768 17814.6165 0.0000 0.0000 34065.7421 -149398.5105 297.5046 -183464.2526 -149300.8531 298.5628 -0.1386 34.9883 558058.0301 -2.4832 -2.3412 LDB: ============= START OF LOAD BALANCING ============== 12454.5 LDB: ============== END OF LOAD BALANCING =============== 12454.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12454.5 LDB: ============= START OF LOAD BALANCING ============== 12454.8 LDB: Largest compute 4820 load 0.021905 is 18.6% of average load 0.118071 LDB: Average compute 0.001708 is 1.4% of average load 0.118071 LDB: TIME 12454.8 LOAD: AVG 0.118071 MAX 0.22378 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.211 MB LDB: TIME 12454.8 LOAD: AVG 0.118071 MAX 0.22378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.211 MB LDB: TIME 12454.8 LOAD: AVG 0.118071 MAX 0.22378 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.211 MB LDB: ============== END OF LOAD BALANCING =============== 12454.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12454.8 PRESSURE: 4148400 58.7246 -91.2633 104.296 -91.2626 -75.4079 27.1932 104.297 27.1937 141.625 GPRESSURE: 4148400 121.475 -110.088 146.171 -101.837 -74.5707 1.2762 89.0495 46.2918 180.332 PRESSAVG: 4148400 -14.96 -5.98757 -48.7625 -5.98743 44.4141 -4.74362 -48.7625 -4.74359 16.5777 GPRESSAVG: 4148400 -14.5407 -5.38583 -48.0318 -8.72439 43.9329 -3.33928 -48.1091 -6.55133 16.7023 TIMING: 4148400 CPU: 12451.7, 0.00314158/step Wall: 12451.7, 0.00314158/step, 0.743158 hours remaining, 207.722656 MB of memory in use. ENERGY: 4148400 738.5939 2075.4034 1962.7055 112.5692 -206374.3123 18008.8865 0.0000 0.0000 34080.2837 -149395.8702 297.6316 -183476.1539 -149304.8355 298.7025 41.6471 75.7454 557517.6563 15.3439 15.3648 PRESSURE: 4148600 -281.548 33.8247 47.7388 33.8247 -375.27 39.5165 47.7394 39.5151 -401.054 GPRESSURE: 4148600 -264.978 80.3964 38.4279 -41.1475 -341.142 27.3743 76.9741 22.2821 -361.453 PRESSAVG: 4148600 -25.2509 -50.0892 -16.7347 -50.0892 -2.63011 -7.50004 -16.7347 -7.49986 5.78831 GPRESSAVG: 4148600 -26.2377 -49.8609 -20.7145 -49.6584 -2.16433 -6.04558 -16.3613 -9.1317 6.74992 TIMING: 4148600 CPU: 12452.3, 0.00306686/step Wall: 12452.3, 0.00306686/step, 0.725313 hours remaining, 207.722656 MB of memory in use. ENERGY: 4148600 753.3086 2076.8523 1964.7675 105.6621 -205912.8417 17479.4304 0.0000 0.0000 34146.0982 -149386.7226 298.2064 -183532.8208 -149283.6420 298.6534 -352.6240 -322.5241 558170.6444 -7.3642 -7.2174 PRESSURE: 4148800 112.462 53.6529 -38.6454 53.6539 -227.201 -174.86 -38.6444 -174.86 -145.899 GPRESSURE: 4148800 107.043 76.4769 5.19694 12.9619 -195.696 -124.572 -37.6421 -249.863 -85.1496 PRESSAVG: 4148800 11.1568 -11.9614 -33.6278 -11.9614 29.0489 -4.37721 -33.6277 -4.37724 -17.9041 GPRESSAVG: 4148800 11.7609 -10.5795 -29.4722 -12.6002 28.154 -7.37981 -34.6183 -0.341903 -18.5457 TIMING: 4148800 CPU: 12452.9, 0.00306236/step Wall: 12452.9, 0.00306236/step, 0.724079 hours remaining, 207.722656 MB of memory in use. ENERGY: 4148800 739.8575 2090.9363 1996.9707 113.6615 -206337.2651 17690.9057 0.0000 0.0000 34238.1497 -149466.7838 299.0103 -183704.9335 -149367.1925 299.0006 -86.8794 -57.9345 557318.2651 7.4339 7.1230 PRESSURE: 4149000 -165.043 40.2189 87.418 40.2189 27.6651 21.5886 87.4184 21.5901 1.54884 GPRESSURE: 4149000 -116.044 70.2668 -7.98581 27.7353 21.8947 15.643 86.6261 -46.1021 53.7226 PRESSAVG: 4149000 47.0403 -11.3575 63.3107 -11.3575 19.7916 -30.7255 63.3108 -30.7256 -42.5175 GPRESSAVG: 4149000 46.2235 -13.097 63.0631 -10.4137 20.1988 -29.6351 64.4753 -33.8312 -42.1148 TIMING: 4149000 CPU: 12453.5, 0.00303757/step Wall: 12453.5, 0.00303757/step, 0.718048 hours remaining, 207.722656 MB of memory in use. ENERGY: 4149000 749.9541 2127.0686 1941.5347 113.5535 -206311.4858 17692.8595 0.0000 0.0000 34146.2625 -149540.2528 298.2078 -183686.5153 -149442.7155 299.0726 -45.2764 -13.4757 557287.8158 8.1048 8.1025 PRESSURE: 4149200 145.393 96.026 -141.557 96.0263 -165.248 -20.8412 -141.557 -20.8397 342.527 GPRESSURE: 4149200 204.05 114.392 -92.607 86.0507 -104.933 18.807 -216.922 -55.9959 317.882 PRESSAVG: 4149200 21.7234 26.7462 38.7092 26.7462 -70.3479 50.6421 38.7093 50.6422 -2.41163 GPRESSAVG: 4149200 22.2634 25.6949 39.6654 26.4886 -70.7858 51.4631 38.8231 50.857 -3.089 TIMING: 4149200 CPU: 12454.2, 0.00306616/step Wall: 12454.2, 0.00306616/step, 0.724635 hours remaining, 207.722656 MB of memory in use. ENERGY: 4149200 764.4705 2110.5311 1927.1595 108.9737 -206609.9301 18096.6913 0.0000 0.0000 34041.6088 -149560.4952 297.2938 -183602.1040 -149461.7088 297.7360 107.5572 139.0000 556675.9505 -17.0120 -17.2038 PRESSURE: 4149400 60.9956 72.7217 -10.9894 72.722 5.44158 -92.134 -10.9888 -92.1361 -253.681 GPRESSURE: 4149400 58.2841 -23.3999 1.39722 21.3618 -5.29917 -130.307 26.838 -50.9443 -131.216 PRESSAVG: 4149400 122.891 -20.9143 19.3309 -20.9143 -22.7583 -54.6569 19.3309 -54.6569 -68.0149 GPRESSAVG: 4149400 123.459 -19.8324 19.0818 -19.2696 -23.1287 -55 18.6424 -51.6235 -68.8257 TIMING: 4149400 CPU: 12454.8, 0.00306562/step Wall: 12454.8, 0.00306562/step, 0.724337 hours remaining, 207.722656 MB of memory in use. ENERGY: 4149400 778.6568 2101.5506 1949.1265 113.4304 -206612.4944 17960.5170 0.0000 0.0000 34207.9225 -149501.2906 298.7463 -183709.2131 -149402.4906 298.6397 -62.4145 -26.0769 559373.8619 10.7058 10.5017 PRESSURE: 4149600 -155.153 66.0675 56.4165 66.0672 -250.56 19.1302 56.4167 19.1321 -151.455 GPRESSURE: 4149600 -114.516 152.929 33.0788 12.5361 -194.59 62.1892 123.459 -65.9458 -153.569 PRESSAVG: 4149600 40.7487 -16.0794 -4.90512 -16.0794 -58.8459 -13.3197 -4.90518 -13.3197 -4.76272 GPRESSAVG: 4149600 38.9453 -14.3733 -5.00915 -16.0785 -57.9911 -12.9771 -4.29914 -14.814 -3.23529 TIMING: 4149600 CPU: 12455.4, 0.00304129/step Wall: 12455.4, 0.00304129/step, 0.718421 hours remaining, 207.722656 MB of memory in use. ENERGY: 4149600 770.9899 2092.6441 1925.0145 105.1995 -206333.5178 17696.6147 0.0000 0.0000 34133.9852 -149609.0699 298.1006 -183743.0551 -149509.3259 297.9523 -185.7226 -154.2252 557667.3368 -7.6200 -7.4270 PRESSURE: 4149800 1.78628 72.871 -40.3828 72.8715 379.846 -52.7332 -40.3837 -52.7332 206.036 GPRESSURE: 4149800 72.6382 -1.271 20.5875 114.129 429.075 -53.0027 -98.557 -83.1835 173.467 PRESSAVG: 4149800 -49.4872 -12.5578 10.6275 -12.5578 -17.4857 -39.0898 10.6275 -39.0897 61.4973 GPRESSAVG: 4149800 -49.7876 -12.842 7.69675 -14.7595 -17.3831 -38.6968 11.4568 -38.9888 61.5007 TIMING: 4149800 CPU: 12456, 0.00303599/step Wall: 12456, 0.00303599/step, 0.716999 hours remaining, 207.722656 MB of memory in use. ENERGY: 4149800 727.6689 2109.1712 1920.9867 125.5777 -206803.3376 18094.2496 0.0000 0.0000 34115.6210 -149710.0624 297.9402 -183825.6834 -149616.6383 298.0631 195.8893 225.0600 555630.3672 -1.8252 -1.8900 PRESSURE: 4150000 -65.4936 20.0436 77.6856 20.0421 23.5873 -256.209 77.6851 -256.21 -145.058 GPRESSURE: 4150000 0.958731 17.3408 111.494 20.1732 67.7172 -213.182 29.3493 -228.74 -165.622 PRESSAVG: 4150000 -35.8107 60.4198 29.6341 60.4198 10.1155 -64.4333 29.6342 -64.4334 15.713 GPRESSAVG: 4150000 -35.4586 57.6768 31.3852 62.1386 10.6307 -65.2899 27.3607 -64.9013 15.6015 TIMING: 4150000 CPU: 12456.6, 0.00303984/step Wall: 12456.6, 0.00303984/step, 0.717741 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: 4150000 735.0840 2118.8754 1924.3840 123.9351 -206016.1787 17663.3981 0.0000 0.0000 34063.7502 -149386.7519 297.4872 -183450.5021 -149295.6684 298.6267 -62.3213 -32.3154 557160.4507 -3.3274 -3.0754 PRESSURE: 4150200 -53.6663 -43.5884 -14.2621 -43.5898 15.2146 1.37987 -14.2629 1.37861 52.6204 GPRESSURE: 4150200 -62.1896 50.0112 -6.25818 -100.543 9.07989 13.0494 -57.819 -45.8146 148.42 PRESSAVG: 4150200 -45.1687 19.31 -2.17952 19.31 65.6323 -38.759 -2.1796 -38.7591 -25.4805 GPRESSAVG: 4150200 -44.3142 21.246 -0.904331 20.3548 65.9298 -36.7206 -2.986 -38.6792 -26.3704 TIMING: 4150200 CPU: 12457.2, 0.00306114/step Wall: 12457.2, 0.00306114/step, 0.722599 hours remaining, 207.980469 MB of memory in use. ENERGY: 4150200 735.1774 2080.5644 1953.3713 125.2625 -206300.3355 17651.3615 0.0000 0.0000 34200.1812 -149554.4173 298.6787 -183754.5985 -149454.6794 299.0080 4.7229 31.7701 556015.3617 -1.6723 -1.5849 PRESSURE: 4150400 -192.345 70.6542 38.6221 70.6543 -293.423 -93.1699 38.6224 -93.1689 -293.034 GPRESSURE: 4150400 -139.039 87.7859 42.3787 109.596 -233.443 -11.5387 53.9422 -135.751 -321.129 PRESSAVG: 4150400 -56.8876 -10.5423 -0.814844 -10.5423 30.5547 -54.0134 -0.814969 -54.0135 10.6385 GPRESSAVG: 4150400 -57.0095 -8.60369 -2.73081 -10.8667 29.1024 -56.2191 1.49858 -53.0261 12.0846 TIMING: 4150400 CPU: 12457.8, 0.0030828/step Wall: 12457.8, 0.0030828/step, 0.727541 hours remaining, 207.980469 MB of memory in use. ENERGY: 4150400 748.7280 2032.7617 1939.9373 116.4138 -205946.1476 17503.1380 0.0000 0.0000 34196.5780 -149408.5909 298.6472 -183605.1689 -149314.6546 299.0732 -259.6006 -231.2036 558685.3999 -5.2315 -5.2742 PRESSURE: 4150600 -312.716 39.9753 -131.457 39.9744 -20.8792 -99.4078 -131.458 -99.4062 -17.6852 GPRESSURE: 4150600 -273.397 36.5753 -69.6021 43.9634 -17.7301 -78.9124 -112.429 -126.331 58.472 PRESSAVG: 4150600 -9.35694 -12.0405 37.731 -12.0406 9.53379 -47.3037 37.7311 -47.3037 4.71668 GPRESSAVG: 4150600 -9.37502 -14.0985 38.29 -13.5983 9.92764 -47.2513 38.7009 -49.5024 4.28408 TIMING: 4150600 CPU: 12458.4, 0.00304737/step Wall: 12458.4, 0.00304737/step, 0.71901 hours remaining, 207.980469 MB of memory in use. ENERGY: 4150600 751.9617 2114.6586 1911.3249 110.7064 -206075.2826 17718.5532 0.0000 0.0000 34183.4577 -149284.6201 298.5326 -183468.0778 -149192.6663 299.4307 -117.0936 -77.5516 558507.3844 1.6312 1.6122 PRESSURE: 4150800 -116.071 74.6884 -19.6101 74.6885 26.1342 -11.1432 -19.6094 -11.1434 443.188 GPRESSURE: 4150800 -76.3746 98.6371 -20.9813 124.608 120.719 -0.357143 -10.2992 41.7298 406.801 PRESSAVG: 4150800 -62.5441 10.698 -7.07114 10.698 5.21612 -38.7474 -7.07112 -38.7472 101.809 GPRESSAVG: 4150800 -62.2786 11.8351 -4.61539 11.4243 6.28762 -38.3429 -9.5541 -38.2421 100.137 TIMING: 4150800 CPU: 12459, 0.00304346/step Wall: 12459, 0.00304345/step, 0.717917 hours remaining, 207.980469 MB of memory in use. ENERGY: 4150800 717.1810 2107.4115 1942.2488 110.5956 -206482.3823 17903.7880 0.0000 0.0000 34408.8755 -149292.2818 300.5013 -183701.1573 -149203.9525 299.2869 117.7505 150.3817 556471.5838 14.8269 14.7154 PRESSURE: 4151000 -97.1211 82.124 -81.2035 82.1251 -68.41 -59.9171 -81.2025 -59.9173 94.2196 GPRESSURE: 4151000 -59.146 88.0693 -45.6663 54.6054 -56.8909 -50.4926 -46.1754 4.88366 140.203 PRESSAVG: 4151000 -5.17434 5.92662 1.86856 5.92652 -10.1841 -34.2197 1.86859 -34.2197 15.9667 GPRESSAVG: 4151000 -5.83654 3.97521 1.1262 6.58605 -11.1385 -34.8369 2.99898 -32.7505 17.498 TIMING: 4151000 CPU: 12459.6, 0.0030556/step Wall: 12459.6, 0.0030556/step, 0.720613 hours remaining, 207.980469 MB of memory in use. ENERGY: 4151000 719.0474 2054.9950 1952.3096 103.7806 -205983.2914 17643.6508 0.0000 0.0000 34380.3216 -149129.1865 300.2519 -183509.5081 -149031.7067 299.9949 -23.7705 8.0555 557351.5388 0.2028 0.1743 PRESSURE: 4151200 -331.439 25.191 19.827 25.1896 -20.3642 -112.481 19.8273 -112.482 151.759 GPRESSURE: 4151200 -268.743 14.3019 92.9746 -16.2308 35.7481 -32.1995 -11.6392 -182.708 131.876 PRESSAVG: 4151200 -43.1401 12.5205 16.3807 12.5204 14.5638 -17.7999 16.3805 -17.7999 -16.7054 GPRESSAVG: 4151200 -43.5734 12.7631 14.6609 12.5526 15.1819 -14.2269 17.6932 -19.0582 -17.5203 TIMING: 4151200 CPU: 12460.3, 0.00304951/step Wall: 12460.3, 0.00304951/step, 0.719006 hours remaining, 207.980469 MB of memory in use. ENERGY: 4151200 764.4983 2074.0423 1973.2153 104.9939 -206369.0848 17802.3207 0.0000 0.0000 34315.0823 -149334.9319 299.6821 -183650.0142 -149233.0550 299.2694 -66.6817 -33.7061 556869.1543 -15.0939 -15.3039 PRESSURE: 4151400 108.578 99.4013 123.337 99.4029 -256.342 -19.951 123.337 -19.951 -137.37 GPRESSURE: 4151400 169.223 105.959 97.0158 128.3 -161.82 -86.7551 83.6621 -19.3227 -187.81 PRESSAVG: 4151400 -1.01124 9.12241 56.7988 9.12251 -43.9168 -24.2403 56.7987 -24.2405 15.8936 GPRESSAVG: 4151400 -0.851703 9.506 58.3408 9.47986 -43.9172 -26.1901 55.3392 -24.0598 15.9082 TIMING: 4151400 CPU: 12460.9, 0.00306644/step Wall: 12460.9, 0.00306644/step, 0.722828 hours remaining, 207.980469 MB of memory in use. ENERGY: 4151400 755.2756 2070.4243 1941.5991 114.3792 -206194.8876 17677.5553 0.0000 0.0000 34171.1376 -149464.5165 298.4250 -183635.6541 -149369.7509 298.9391 -95.0450 -60.1356 557415.1672 -9.6782 -9.6202 PRESSURE: 4151600 43.6915 -132.384 -98.6327 -132.384 -319.932 25.5246 -98.632 25.5258 262.535 GPRESSURE: 4151600 66.9395 -119.734 -151.479 -200.423 -280.549 59.6674 -98.962 -13.0456 306.648 PRESSAVG: 4151600 10.6945 55.2442 10.914 55.2442 -42.4918 20.9122 10.914 20.912 25.7512 GPRESSAVG: 4151600 10.5225 55.1778 10.7929 53.7133 -42.8938 22.5512 11.2068 20.4061 26.7462 TIMING: 4151600 CPU: 12461.5, 0.00303812/step Wall: 12461.5, 0.00303812/step, 0.715984 hours remaining, 207.980469 MB of memory in use. ENERGY: 4151600 759.4684 2099.2354 1900.4439 109.2169 -206291.6446 17736.8774 0.0000 0.0000 34197.2432 -149489.1594 298.6530 -183686.4026 -149394.3518 298.6006 -4.5685 31.0130 555250.9042 -2.0153 -1.8750 PRESSURE: 4151800 48.1767 142.667 148.99 142.667 -157.398 -206.335 148.991 -206.336 -147.861 GPRESSURE: 4151800 60.3707 197.938 122.942 86.7404 -112.928 -236.588 107.508 -104.887 -105.653 PRESSAVG: 4151800 -38.2206 -20.8561 -4.71226 -20.8562 -5.91112 8.01767 -4.71229 8.01767 26.6585 GPRESSAVG: 4151800 -38.3471 -20.6923 -6.87227 -19.327 -4.02363 7.07873 -3.7429 10.4403 24.9973 TIMING: 4151800 CPU: 12462.1, 0.00302522/step Wall: 12462.1, 0.00302522/step, 0.712776 hours remaining, 207.980469 MB of memory in use. ENERGY: 4151800 764.6927 2115.4419 1937.5946 120.8338 -206114.3988 17631.5063 0.0000 0.0000 34114.0995 -149430.2301 297.9269 -183544.3295 -149331.4329 298.7840 -85.6942 -52.7368 556967.4202 -5.8244 -5.7911 PRESSURE: 4152000 191.025 -28.9756 -39.6908 -28.9753 87.0424 -45.0516 -39.6913 -45.0509 89.9944 GPRESSURE: 4152000 221.674 0.0831832 -57.4053 -8.34268 145.897 -63.6396 -26.4369 -70.0495 92.7238 PRESSAVG: 4152000 32.5883 33.4213 0.688019 33.4213 -24.743 -11.0866 0.687921 -11.0865 22.163 GPRESSAVG: 4152000 32.5635 33.4365 3.11409 33.0572 -25.7945 -11.1333 -0.959305 -12.765 22.5112 TIMING: 4152000 CPU: 12462.7, 0.00301048/step Wall: 12462.7, 0.00301048/step, 0.709135 hours remaining, 207.980469 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: 4152000 762.6073 2118.8007 1932.2862 105.1988 -206552.1765 18038.3371 0.0000 0.0000 34284.7127 -149310.2337 299.4169 -183594.9464 -149217.0284 298.8099 122.6874 153.4316 556619.6227 10.0027 9.7601 PRESSURE: 4152200 -252.031 -92.1075 -85.4164 -92.1076 -24.7507 -52.4687 -85.4171 -52.4677 32.8067 GPRESSURE: 4152200 -281.566 -145.519 -28.3416 -50.588 7.61417 -88.13 -70.4599 -28.6168 122.665 PRESSAVG: 4152200 -51.5836 4.77571 -17.9717 4.77577 17.8287 22.3439 -17.9717 22.3439 46.6819 GPRESSAVG: 4152200 -50.2014 3.79567 -18.7037 4.82073 17.1893 22.9853 -17.4241 23.4 46.6699 TIMING: 4152200 CPU: 12463.3, 0.00303567/step Wall: 12463.3, 0.00303567/step, 0.714901 hours remaining, 207.980469 MB of memory in use. ENERGY: 4152200 797.2190 2121.4535 1970.9242 112.0088 -206002.6707 17597.7151 0.0000 0.0000 34086.3223 -149317.0277 297.6843 -183403.3500 -149224.1525 298.8264 -81.3251 -50.4289 557157.2894 4.3090 4.5526 LDB: ============= START OF LOAD BALANCING ============== 12466.7 LDB: ============== END OF LOAD BALANCING =============== 12466.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12466.7 LDB: ============= START OF LOAD BALANCING ============== 12467 LDB: Largest compute 4820 load 0.022851 is 19.4% of average load 0.118087 LDB: Average compute 0.001709 is 1.4% of average load 0.118087 LDB: TIME 12467 LOAD: AVG 0.118087 MAX 0.223546 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.211 MB LDB: TIME 12467 LOAD: AVG 0.118087 MAX 0.223546 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.27 MB LDB: TIME 12467 LOAD: AVG 0.118087 MAX 0.223546 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.27 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12467 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12467 PRESSURE: 4152400 186.819 -102.476 67.5453 -102.477 -139.487 131.675 67.544 131.675 -237.013 GPRESSURE: 4152400 173.344 -101.087 64.5884 7.50477 -99.9513 60.8972 139.6 91.846 -164.982 PRESSAVG: 4152400 -28.2227 38.0394 -51.5171 38.0395 39.3801 5.25265 -51.5171 5.25272 -15.6027 GPRESSAVG: 4152400 -30.0266 38.5372 -52.0697 36.6702 40.9057 5.89842 -49.3902 3.72913 -15.405 TIMING: 4152400 CPU: 12463.9, 0.0031158/step Wall: 12463.9, 0.0031158/step, 0.733598 hours remaining, 207.980469 MB of memory in use. ENERGY: 4152400 744.2140 2108.2860 1950.5007 116.8277 -206333.2236 17915.6771 0.0000 0.0000 34378.9009 -149118.8171 300.2395 -183497.7180 -149015.1680 299.4201 -63.2269 -30.5297 557573.8435 -1.4818 -1.5086 PRESSURE: 4152600 217.847 13.7975 -88.5456 13.7975 58.2242 -47.8916 -88.5441 -47.89 103.637 GPRESSURE: 4152600 243.167 23.2495 -182.427 9.90223 96.7533 -67.1482 -20.9649 -0.999501 130.314 PRESSAVG: 4152600 8.43038 4.91927 -2.2869 4.91926 -30.3747 4.10188 -2.28693 4.1019 -31.34 GPRESSAVG: 4152600 9.18666 4.62565 -1.89579 5.48796 -30.4301 1.60407 -4.80435 7.30163 -32.0147 TIMING: 4152600 CPU: 12464.5, 0.00302739/step Wall: 12464.5, 0.00302739/step, 0.712615 hours remaining, 207.980469 MB of memory in use. ENERGY: 4152600 720.5020 2167.8273 1943.4951 123.0944 -206273.7471 17916.9342 0.0000 0.0000 34291.6380 -149110.2561 299.4774 -183401.8941 -149010.7115 300.2865 126.5696 156.7447 555760.5280 -17.7615 -17.7527 PRESSURE: 4152800 161.908 39.4323 -93.3104 39.4313 -64.5847 -142.482 -93.3107 -142.483 -65.0117 GPRESSURE: 4152800 220.077 81.7479 -116.389 -4.99382 -67.9604 -119.779 -134.639 -182.792 -24.5171 PRESSAVG: 4152800 108.988 28.5004 -35.4155 28.5005 -6.28067 -21.5234 -35.4154 -21.5235 -68.9745 GPRESSAVG: 4152800 108.555 27.9729 -34.6636 29.3309 -6.78374 -20.3567 -37.0749 -23.7889 -68.3293 TIMING: 4152800 CPU: 12465.1, 0.00302219/step Wall: 12465.1, 0.00302219/step, 0.711221 hours remaining, 207.980469 MB of memory in use. ENERGY: 4152800 753.2904 2098.1846 1902.5173 109.2669 -206202.3386 17694.1778 0.0000 0.0000 34342.6896 -149302.2120 299.9233 -183644.9016 -149199.8402 299.8989 10.7705 42.5331 555817.1600 11.2442 11.1474 PRESSURE: 4153000 13.2301 -144.387 -153.186 -144.388 112.75 25.1114 -153.187 25.1111 94.048 GPRESSURE: 4153000 64.193 -230.665 -157.388 -44.7935 120.379 21.5122 -147.514 42.0299 122.822 PRESSAVG: 4153000 -8.87991 -32.5552 -45.3649 -32.5553 7.21741 27.1489 -45.3649 27.1489 -3.70533 GPRESSAVG: 4153000 -8.27255 -32.9697 -44.9678 -32.7148 7.92163 27.3209 -43.5451 29.0681 -4.75305 TIMING: 4153000 CPU: 12465.7, 0.00301398/step Wall: 12465.7, 0.00301398/step, 0.709121 hours remaining, 207.980469 MB of memory in use. ENERGY: 4153000 770.3064 2130.2115 1933.3858 114.8178 -206366.1118 17742.2918 0.0000 0.0000 34389.0358 -149286.0628 300.3280 -183675.0985 -149194.7042 299.5530 73.3426 102.4647 555779.5065 -1.7893 -1.7013 PRESSURE: 4153200 53.6019 134.875 6.83735 134.874 408.271 108.796 6.83697 108.796 -86.3624 GPRESSURE: 4153200 50.4375 152.282 -51.653 153.817 447.531 69.8017 -24.5946 150.022 -24.6247 PRESSAVG: 4153200 -16.2579 5.35068 -21.3655 5.35067 46.7825 31.0792 -21.3655 31.0792 -21.7562 GPRESSAVG: 4153200 -16.3796 4.14691 -22.024 4.55314 46.8472 29.1244 -21.5335 31.8289 -21.8744 TIMING: 4153200 CPU: 12466.3, 0.00302813/step Wall: 12466.3, 0.00302813/step, 0.712283 hours remaining, 207.980469 MB of memory in use. ENERGY: 4153200 763.0004 2082.6389 1946.3715 108.1522 -206817.6347 18091.2111 0.0000 0.0000 34534.8810 -149291.3795 301.6017 -183826.2605 -149188.9443 299.7993 125.1702 157.7813 555542.7069 2.9228 2.8644 PRESSURE: 4153400 -214.275 17.3407 -201.013 17.3408 -102.714 -59.2901 -201.014 -59.2899 -342.912 GPRESSURE: 4153400 -185.775 52.3004 -207.256 67.7797 -58.8588 -74.1932 -180.106 -8.15281 -306.779 PRESSAVG: 4153400 9.20696 11.4585 -47.7863 11.4585 59.4152 -51.4218 -47.7863 -51.422 -19.3708 GPRESSAVG: 4153400 7.96388 12.6117 -50.345 10.9507 60.2137 -50.6862 -45.8204 -52.9006 -19.8676 TIMING: 4153400 CPU: 12466.9, 0.00303304/step Wall: 12466.9, 0.00303304/step, 0.713269 hours remaining, 207.980469 MB of memory in use. ENERGY: 4153400 784.5682 2121.1082 1939.2531 113.5105 -206109.1816 17583.4893 0.0000 0.0000 34158.6957 -149408.5565 298.3164 -183567.2523 -149316.0106 299.7502 -219.9673 -183.8044 557747.9726 16.4171 16.1033 PRESSURE: 4153600 -104.512 -5.05354 -33.7514 -5.05411 -73.1413 85.0179 -33.7503 85.0176 120.923 GPRESSURE: 4153600 -57.2005 -18.5357 -156.821 -107.201 -25.2067 65.345 60.1669 70.4825 125.753 PRESSAVG: 4153600 -2.23462 -13.3049 -32.738 -13.3049 -1.65131 -5.79777 -32.7381 -5.79779 2.42933 GPRESSAVG: 4153600 -1.71275 -11.7261 -31.7899 -13.7739 -3.20023 -4.83116 -33.4051 -7.91376 2.71607 TIMING: 4153600 CPU: 12467.6, 0.00305206/step Wall: 12467.6, 0.00305206/step, 0.717573 hours remaining, 207.980469 MB of memory in use. ENERGY: 4153600 760.9672 2088.5268 1961.1806 110.4962 -206494.7784 17749.3050 0.0000 0.0000 34197.3779 -149626.9246 298.6542 -183824.3025 -149528.4159 298.6978 -18.9101 14.4485 555484.5425 -0.4855 -0.7323 PRESSURE: 4153800 165.407 -26.1545 57.1817 -26.1538 51.3627 25.7599 57.1817 25.7615 287.523 GPRESSURE: 4153800 260.729 45.9395 95.8061 -57.9137 44.1086 23.277 81.5389 36.9713 288.823 PRESSAVG: 4153800 -20.2162 6.74639 -13.4449 6.74641 34.9722 6.19603 -13.4449 6.19599 -16.0112 GPRESSAVG: 4153800 -20.3919 6.70792 -11.9629 7.07192 35.4083 7.1286 -15.0485 7.16542 -16.0982 TIMING: 4153800 CPU: 12468.2, 0.00303062/step Wall: 12468.2, 0.00303062/step, 0.712365 hours remaining, 207.980469 MB of memory in use. ENERGY: 4153800 707.5387 2069.3207 1965.7801 106.3859 -206655.4192 18023.4436 0.0000 0.0000 34200.2629 -149582.6873 298.6794 -183782.9502 -149479.6932 299.1532 168.0977 197.8869 555382.3754 -0.4184 -0.3606 PRESSURE: 4154000 24.6333 -48.4824 -30.8361 -48.4821 -102.25 -118.943 -30.8363 -118.943 47.0752 GPRESSURE: 4154000 101.287 17.7029 -32.5332 -52.5697 -86.5137 -159.975 -35.3091 -84.0517 59.2432 PRESSAVG: 4154000 31.4325 -7.4662 34.943 -7.46626 51.2727 24.7057 34.943 24.7057 -58.7136 GPRESSAVG: 4154000 30.5058 -8.24001 34.6837 -6.98551 50.9525 21.8298 35.5253 25.7846 -57.0839 TIMING: 4154000 CPU: 12468.8, 0.00302642/step Wall: 12468.8, 0.00302642/step, 0.711208 hours remaining, 207.980469 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: 4154000 715.3395 2087.8133 2003.0427 119.2823 -206155.7725 17622.6994 0.0000 0.0000 34202.3408 -149405.2545 298.6975 -183607.5953 -149307.2530 299.3278 -10.1806 24.6720 557999.5019 7.9972 8.1248 PRESSURE: 4154200 -48.7848 -157.522 51.66 -157.521 7.57597 -188.468 51.6584 -188.467 -115.429 GPRESSURE: 4154200 14.1581 -176.017 101.38 -128.366 6.66475 -183.689 -67.8936 -138.719 -89.5434 PRESSAVG: 4154200 61.7164 -37.5248 8.74014 -37.5248 72.8104 -23.7125 8.74011 -23.7124 -67.1953 GPRESSAVG: 4154200 61.4544 -36.8993 8.02327 -38.0961 72.2907 -20.5651 8.45625 -23.9899 -66.7934 TIMING: 4154200 CPU: 12469.4, 0.00303587/step Wall: 12469.4, 0.00303587/step, 0.71326 hours remaining, 207.980469 MB of memory in use. ENERGY: 4154200 784.1324 2129.6668 1961.3436 97.1256 -206415.2600 17810.2338 0.0000 0.0000 34117.3457 -149515.4121 297.9553 -183632.7578 -149426.4562 298.6614 -52.2127 -22.9069 557342.2549 22.4439 22.3172 PRESSURE: 4154400 9.62564 84.27 -35.1537 84.271 -186.067 74.5302 -35.1553 74.5311 271.895 GPRESSURE: 4154400 23.2701 7.91364 53.2134 106.467 -121.579 37.6977 -98.0199 95.6007 302.278 PRESSAVG: 4154400 55.3056 -16.7945 -6.0674 -16.7946 -26.3836 56.0481 -6.06739 56.0481 -15.4514 GPRESSAVG: 4154400 55.3894 -17.2733 -3.77381 -16.6506 -25.6162 54.63 -7.65531 54.2915 -16.4024 TIMING: 4154400 CPU: 12470, 0.00305788/step Wall: 12470, 0.00305788/step, 0.718262 hours remaining, 207.980469 MB of memory in use. ENERGY: 4154400 752.4364 2092.3896 1960.6518 103.2297 -206419.9589 17918.1276 0.0000 0.0000 34215.9570 -149377.1668 298.8165 -183593.1238 -149285.5817 298.1921 31.8178 67.9898 557436.7544 4.4902 4.4570 PRESSURE: 4154600 -493.628 -94.8096 -28.8419 -94.8095 -110.697 74.0938 -28.8415 74.0947 -269.395 GPRESSURE: 4154600 -474.119 -160.828 -83.823 27.5319 -42.534 101.259 -105.061 -27.7653 -264.186 PRESSAVG: 4154600 -56.5945 -24.8587 -61.8217 -24.8587 13.914 41.9343 -61.8218 41.9342 -6.22398 GPRESSAVG: 4154600 -55.6994 -25.8474 -65.0917 -23.2132 12.6427 40.073 -59.0466 43.0082 -6.30505 TIMING: 4154600 CPU: 12470.6, 0.00308168/step Wall: 12470.6, 0.00308168/step, 0.72368 hours remaining, 207.980469 MB of memory in use. ENERGY: 4154600 803.5094 2162.4906 1950.4283 117.3317 -206377.1297 17600.0758 0.0000 0.0000 34252.2614 -149491.0325 299.1335 -183743.2939 -149393.9659 298.5203 -291.2404 -260.2799 557545.7253 -16.3015 -16.4539 PRESSURE: 4154800 -93.1833 106.723 -1.74793 106.723 -282.491 -18.2386 -1.74848 -18.2405 -285.839 GPRESSURE: 4154800 -31.9611 91.1519 -12.7212 42.8317 -252.267 106.743 1.85202 -42.6989 -292.168 PRESSAVG: 4154800 -5.05422 -26.7448 -23.9065 -26.7448 -6.90416 -8.99612 -23.9066 -8.99622 17.793 GPRESSAVG: 4154800 -5.55147 -25.625 -23.0458 -26.4584 -6.04106 -5.99277 -23.9254 -9.09737 18.3979 TIMING: 4154800 CPU: 12471.2, 0.00307089/step Wall: 12471.2, 0.00307089/step, 0.720976 hours remaining, 207.980469 MB of memory in use. ENERGY: 4154800 756.1140 2166.3523 1947.3554 110.9890 -206303.9588 17496.6546 0.0000 0.0000 34242.2963 -149584.1973 299.0465 -183826.4936 -149482.2740 297.9254 -220.5045 -192.1320 557448.3533 1.9449 2.2684 PRESSURE: 4155000 -112.449 -57.4384 -21.5507 -57.4388 273.307 -25.3138 -21.5491 -25.3128 -8.65928 GPRESSURE: 4155000 -121.784 -72.141 -77.177 -91.1696 278.271 27.1743 -9.20341 -58.8625 89.6559 PRESSAVG: 4155000 -11.1629 -0.183469 -4.6163 -0.183475 -67.3484 41.0881 -4.6163 41.0882 35.136 GPRESSAVG: 4155000 -10.0948 1.01871 -6.75513 -3.6649 -67.0656 42.0152 -4.12064 40.1217 34.5154 TIMING: 4155000 CPU: 12471.8, 0.0030457/step Wall: 12471.8, 0.0030457/step, 0.714894 hours remaining, 207.980469 MB of memory in use. ENERGY: 4155000 735.1609 2156.5072 1938.9445 119.7596 -206689.5487 17977.8505 0.0000 0.0000 34303.9094 -149457.4166 299.5846 -183761.3260 -149354.4363 298.4974 50.7329 82.0474 557319.6432 -14.4585 -14.2150 PRESSURE: 4155200 -131.629 -131.803 68.5433 -131.805 44.7877 35.5533 68.543 35.5531 -148.211 GPRESSURE: 4155200 -47.8223 -49.6407 101.659 -132.389 101.877 35.4592 80.3998 80.8937 -190.586 PRESSAVG: 4155200 -50.2291 -3.19781 29.289 -3.19778 20.8262 -31.6696 29.289 -31.6696 15.804 GPRESSAVG: 4155200 -49.9891 -5.25277 32.9486 -0.137134 21.4595 -34.2007 27.3471 -31.2608 14.7762 TIMING: 4155200 CPU: 12472.4, 0.00303388/step Wall: 12472.4, 0.00303388/step, 0.711951 hours remaining, 207.980469 MB of memory in use. ENERGY: 4155200 718.8719 2149.8338 1950.7769 115.4983 -206363.9550 17680.8442 0.0000 0.0000 34380.9050 -149367.2248 300.2570 -183748.1299 -149266.5363 298.6529 -78.3510 -45.5103 556966.6576 -4.5330 -4.5844 PRESSURE: 4155400 -171.734 -13.3408 28.1604 -13.3411 67.7907 -238.177 28.1615 -238.177 89.3683 GPRESSURE: 4155400 -165.31 -56.0875 157.056 -4.23288 121.078 -271.416 -59.5777 -194.857 128.259 PRESSAVG: 4155400 -48.6926 -39.6535 36.666 -39.6535 -36.6956 33.6266 36.6661 33.6267 51.0453 GPRESSAVG: 4155400 -49.1499 -39.986 34.5554 -40.032 -37.2752 34.8224 35.2037 33.4498 52.2759 TIMING: 4155400 CPU: 12473, 0.00302794/step Wall: 12473, 0.00302794/step, 0.710389 hours remaining, 207.980469 MB of memory in use. ENERGY: 4155400 751.8359 2134.4132 1943.5294 106.6788 -206169.8366 17797.9226 0.0000 0.0000 34279.1464 -149156.3104 299.3683 -183435.4567 -149060.5435 299.3164 -4.8583 28.0089 557480.2342 -11.4476 -11.3831 PRESSURE: 4155600 -254.87 -18.5649 51.9717 -18.5661 -288.416 55.9613 51.9721 55.9604 -226.404 GPRESSURE: 4155600 -192.859 28.4844 62.0043 -41.7599 -229.272 102.768 50.8235 69.7334 -238.346 PRESSAVG: 4155600 -55.1521 -3.20747 47.0005 -3.20747 50.5749 -27.1745 47.0005 -27.1745 22.4476 GPRESSAVG: 4155600 -55.6527 -1.13251 47.6722 -3.37523 50.2826 -28.5384 47.3839 -27.2672 22.6695 TIMING: 4155600 CPU: 12473.6, 0.00306539/step Wall: 12473.6, 0.00306539/step, 0.719004 hours remaining, 207.980469 MB of memory in use. ENERGY: 4155600 765.3814 2059.2693 1961.1722 111.9042 -206018.1086 17511.0434 0.0000 0.0000 34336.6145 -149272.7236 299.8702 -183609.3381 -149174.6317 299.5268 -256.5634 -220.1592 557944.6435 5.9568 5.7665 PRESSURE: 4155800 12.8408 -77.0961 -96.7571 -77.0959 -13.5049 -71.8702 -96.7555 -71.8698 -207.517 GPRESSURE: 4155800 15.0354 -45.9884 -168.434 -93.2488 -10.736 -223.043 -69.0963 25.7151 -111.863 PRESSAVG: 4155800 -16.9269 -7.36208 -36.8645 -7.3621 -7.72173 -53.572 -36.8646 -53.5719 22.1258 GPRESSAVG: 4155800 -16.3871 -8.90891 -34.9362 -8.97419 -6.52077 -52.0291 -38.901 -52.3024 21.0446 TIMING: 4155800 CPU: 12474.3, 0.00303244/step Wall: 12474.3, 0.00303244/step, 0.711108 hours remaining, 207.980469 MB of memory in use. ENERGY: 4155800 757.4575 2142.5411 1948.0572 118.6166 -206300.2483 17766.4608 0.0000 0.0000 34303.7092 -149263.4059 299.5828 -183567.1152 -149163.5175 298.7827 -69.3938 -35.8544 556987.4924 -0.8409 -0.6211 PRESSURE: 4156000 211.295 13.5464 -53.5228 13.5471 221.984 -31.7291 -53.5236 -31.7293 10.8313 GPRESSURE: 4156000 292.794 -32.5785 -99.5878 91.7874 199.929 -127.596 -4.23154 46.7863 32.4428 PRESSAVG: 4156000 51.3315 52.9569 -5.35013 52.957 60.6467 -50.7522 -5.35017 -50.7522 -54.6645 GPRESSAVG: 4156000 51.5531 54.8648 -7.28819 52.5943 59.2266 -51.6825 -3.68852 -52.1369 -53.8355 TIMING: 4156000 CPU: 12474.9, 0.00304968/step Wall: 12474.9, 0.00304968/step, 0.714981 hours remaining, 207.980469 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: 4156000 741.6730 2146.1075 1953.3236 122.0830 -206706.6584 18150.1934 0.0000 0.0000 34326.6949 -149266.5830 299.7836 -183593.2778 -149168.5516 299.0851 148.0368 175.0554 556703.0506 19.1046 18.9814 PRESSURE: 4156200 -283.471 -18.7345 -33.8081 -18.7357 80.6779 4.72169 -33.8069 4.72197 39.9529 GPRESSURE: 4156200 -196.625 16.8304 23.6769 22.1681 83.6351 56.96 9.99019 -18.7375 38.202 PRESSAVG: 4156200 49.8344 -28.2279 -37.9332 -28.2279 33.1727 28.4526 -37.9332 28.4527 -62.4796 GPRESSAVG: 4156200 49.4369 -28.1841 -37.9587 -26.6978 34.2495 29.3028 -36.0873 27.3817 -63.6937 TIMING: 4156200 CPU: 12475.5, 0.00306621/step Wall: 12475.5, 0.00306621/step, 0.718685 hours remaining, 207.980469 MB of memory in use. ENERGY: 4156200 764.7839 2073.2638 1932.0031 108.1078 -206195.5869 17848.5905 0.0000 0.0000 34262.0887 -149206.7492 299.2193 -183468.8379 -149108.3384 298.6581 -54.2802 -24.9294 559466.4528 6.8425 6.6642 LDB: ============= START OF LOAD BALANCING ============== 12478.9 LDB: ============== END OF LOAD BALANCING =============== 12478.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12478.9 LDB: ============= START OF LOAD BALANCING ============== 12479.2 LDB: Largest compute 4820 load 0.024709 is 20.9% of average load 0.118051 LDB: Average compute 0.001716 is 1.5% of average load 0.118051 LDB: TIME 12479.2 LOAD: AVG 0.118051 MAX 0.224791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.211 MB LDB: TIME 12479.2 LOAD: AVG 0.118051 MAX 0.224791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.211 MB LDB: TIME 12479.2 LOAD: AVG 0.118051 MAX 0.224791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.211 MB LDB: ============== END OF LOAD BALANCING =============== 12479.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12479.2 PRESSURE: 4156400 -63.5749 99.1235 44.5371 99.1231 46.7762 -74.1724 44.5367 -74.1735 22.1163 GPRESSURE: 4156400 5.24666 134.693 52.1217 183.956 66.7725 -13.7395 11.1105 -117.025 32.2998 PRESSAVG: 4156400 -47.3203 4.34119 -21.2806 4.34108 -11.3617 25.9663 -21.2806 25.9662 43.1553 GPRESSAVG: 4156400 -46.457 2.50153 -20.468 4.74551 -11.332 25.4995 -22.5293 27.1457 42.2868 TIMING: 4156400 CPU: 12476.1, 0.00313824/step Wall: 12476.1, 0.00313824/step, 0.735393 hours remaining, 207.652344 MB of memory in use. ENERGY: 4156400 750.6050 2091.4504 1966.1613 113.6185 -205997.0954 17756.4009 0.0000 0.0000 34078.0254 -149240.8339 297.6119 -183318.8593 -149149.7385 298.9603 1.7725 34.7730 557911.0813 -5.1756 -5.1674 PRESSURE: 4156600 137.442 136.093 62.6818 136.092 55.1773 -66.6791 62.6837 -66.6775 45.1335 GPRESSURE: 4156600 117.587 232.006 40.266 104.925 107.467 -46.9222 96.8378 -110.519 107.997 PRESSAVG: 4156600 -28.5228 -6.15729 -6.81397 -6.15735 36.2435 45.6879 -6.81399 45.6879 1.84372 GPRESSAVG: 4156600 -30.0325 -4.28565 -9.72248 -7.57211 35.4946 45.4852 -4.94122 45.3382 4.06291 TIMING: 4156600 CPU: 12476.7, 0.00305376/step Wall: 12476.7, 0.00305376/step, 0.715428 hours remaining, 207.652344 MB of memory in use. ENERGY: 4156600 769.4495 2110.3394 1938.7609 107.2190 -206316.3666 18005.9161 0.0000 0.0000 34192.9969 -149191.6848 298.6159 -183384.6817 -149100.3851 299.4406 79.2510 111.0171 557225.6734 3.1882 3.1750 PRESSURE: 4156800 11.6787 94.3549 99.2089 94.356 -365.053 23.8386 99.2092 23.8393 -86.3127 GPRESSURE: 4156800 25.4112 33.0203 180.017 120.273 -279.796 135.433 102.898 -7.04488 -84.9395 PRESSAVG: 4156800 92.4303 30.2567 52.0253 30.2568 -116.163 54.8031 52.0253 54.803 2.45003 GPRESSAVG: 4156800 93.3833 29.2788 54.2697 32.469 -115.554 54.6891 49.531 54.7679 1.44884 TIMING: 4156800 CPU: 12477.3, 0.00304644/step Wall: 12477.3, 0.00304644/step, 0.713543 hours remaining, 207.652344 MB of memory in use. ENERGY: 4156800 761.4670 2136.4344 1897.2292 116.1463 -206129.3235 17708.8372 0.0000 0.0000 34328.7346 -149180.4748 299.8014 -183509.2094 -149083.7786 299.6434 -146.5624 -113.1082 558068.9683 -7.0941 -6.9071 PRESSURE: 4157000 -318.486 18.8937 12.9896 18.8934 31.7922 140.293 12.9909 140.295 -235.585 GPRESSURE: 4157000 -256.988 4.42007 7.06822 35.2982 14.3833 202.19 39.3739 109.17 -196.676 PRESSAVG: 4157000 45.3014 30.8241 48.5151 30.824 -41.005 50.4578 48.5151 50.4577 -14.1054 GPRESSAVG: 4157000 44.545 32.0163 48.9545 29.5277 -41.8281 47.9636 49.3654 52.3796 -12.5197 TIMING: 4157000 CPU: 12477.9, 0.00306376/step Wall: 12477.9, 0.00306376/step, 0.71743 hours remaining, 207.652344 MB of memory in use. ENERGY: 4157000 740.9166 2084.9627 1935.8091 97.3138 -205759.4270 17635.4537 0.0000 0.0000 34164.4092 -149100.5619 298.3663 -183264.9711 -149001.4425 299.6686 -174.0929 -146.4269 559006.3894 -3.2696 -3.2676 PRESSURE: 4157200 112.637 201.66 10.3146 201.657 -110.27 -96.0598 10.316 -96.0588 -72.8351 GPRESSURE: 4157200 86.3679 150.035 4.67685 258.803 -41.5498 -114.197 98.7042 -89.3254 -28.0263 PRESSAVG: 4157200 -5.90418 -1.40199 13.6427 -1.40204 -16.0284 -19.8411 13.6427 -19.841 30.2911 GPRESSAVG: 4157200 -5.32691 -1.99933 12.9738 -2.13836 -14.9714 -17.8218 12.4303 -21.2429 29.3563 TIMING: 4157200 CPU: 12478.5, 0.00304148/step Wall: 12478.5, 0.00304148/step, 0.712044 hours remaining, 207.652344 MB of memory in use. ENERGY: 4157200 744.1088 2120.3527 1970.0242 112.9755 -205968.9246 17751.9137 0.0000 0.0000 34190.0413 -149079.5085 298.5901 -183269.5498 -148989.7973 299.3795 -23.4896 5.5972 556465.4093 2.7862 3.0193 PRESSURE: 4157400 -25.0653 181.103 -119.146 181.102 -125.15 71.9732 -119.147 71.9735 272.092 GPRESSURE: 4157400 72.211 198.274 -118.334 231.017 -76.7224 15.7061 -174.501 -18.1503 227.22 PRESSAVG: 4157400 42.3641 25.7515 -1.6003 25.7514 -9.38763 -7.99113 -1.6003 -7.99109 -41.1823 GPRESSAVG: 4157400 43.6282 24.9095 -1.77264 27.2163 -10.0569 -8.82826 -0.827826 -7.93004 -42.1313 TIMING: 4157400 CPU: 12479.2, 0.00301637/step Wall: 12479.2, 0.00301637/step, 0.705998 hours remaining, 207.652344 MB of memory in use. ENERGY: 4157400 736.4878 2069.1369 1924.7381 105.6891 -206117.6236 18029.5193 0.0000 0.0000 34207.8140 -149044.2384 298.7453 -183252.0524 -148945.9322 299.6193 40.6259 74.2362 558544.8439 -2.7353 -2.8533 PRESSURE: 4157600 -183.282 73.2888 126.179 73.2888 -114.916 -6.17483 126.179 -6.17597 55.8676 GPRESSURE: 4157600 -137.49 80.39 189.976 11.8294 -37.1863 -42.9343 61.1212 40.9332 31.1689 PRESSAVG: 4157600 -3.20514 46.1834 -19.2043 46.1834 -4.37747 21.4092 -19.2043 21.4092 26.0714 GPRESSAVG: 4157600 -3.59158 45.9998 -19.9781 45.3225 -4.02177 22.0152 -18.4348 20.6883 26.0412 TIMING: 4157600 CPU: 12479.8, 0.00300993/step Wall: 12479.8, 0.00300993/step, 0.704324 hours remaining, 207.652344 MB of memory in use. ENERGY: 4157600 753.6098 2108.1068 1936.8712 109.7307 -205711.5526 17498.6142 0.0000 0.0000 34251.0988 -149053.5211 299.1234 -183304.6199 -148952.7200 299.7649 -80.7768 -47.8360 557049.8030 6.1629 6.1426 PRESSURE: 4157800 -107.42 -65.1437 132.694 -65.1437 106.019 -97.0322 132.694 -97.0335 -104.18 GPRESSURE: 4157800 -54.836 -125.162 70.9838 22.5136 158.375 -36.8563 166.219 -104.265 -112.25 PRESSAVG: 4157800 -14.4532 85.4478 18.176 85.4478 -9.30507 -25.9892 18.1759 -25.9891 -45.8066 GPRESSAVG: 4157800 -15.4486 86.6689 20.8202 85.0405 -9.00275 -26.89 17.8146 -25.7553 -45.1884 TIMING: 4157800 CPU: 12480.4, 0.00303639/step Wall: 12480.4, 0.00303639/step, 0.710347 hours remaining, 207.652344 MB of memory in use. ENERGY: 4157800 764.4599 2092.0707 1919.0719 101.1696 -205879.9071 17596.5606 0.0000 0.0000 34313.2986 -149093.2757 299.6666 -183406.5743 -148998.3897 299.7449 -35.1934 -2.9035 556204.5922 -23.1883 -23.2132 PRESSURE: 4158000 201.397 12.7418 -67.8153 12.7427 318.724 -69.8425 -67.8155 -69.8439 -113.817 GPRESSURE: 4158000 220.768 52.0919 24.3538 -62.1922 346.594 -32.9342 -114.194 -20.5525 -61.9816 PRESSAVG: 4158000 134.63 28.7278 4.21829 28.7277 6.7023 -21.7041 4.21831 -21.7042 -148.834 GPRESSAVG: 4158000 136.396 30.2771 3.79378 28.53 5.58518 -19.0143 2.8346 -22.7628 -149.588 TIMING: 4158000 CPU: 12481, 0.00304711/step Wall: 12481, 0.00304711/step, 0.712685 hours remaining, 207.652344 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: 4158000 777.2508 2082.7188 1917.8830 121.5123 -206164.5265 17849.9565 0.0000 0.0000 34375.7857 -149039.4194 300.2123 -183415.2051 -148942.6805 299.4679 135.4347 168.4603 555229.4755 -2.5008 -2.5357 PRESSURE: 4158200 113.901 -39.5417 45.7135 -39.5411 144.453 225.377 45.7123 225.378 297.915 GPRESSURE: 4158200 211.906 -63.5426 74.4479 -11.542 102.471 142.189 69.7226 233.528 340.616 PRESSAVG: 4158200 20.8187 19.4172 -0.610515 19.4173 69.3032 -0.585133 -0.610447 -0.58514 -94.6423 GPRESSAVG: 4158200 22.4823 18.1377 -0.96295 19.6839 68.9751 -3.78741 1.52271 2.67381 -95.3783 TIMING: 4158200 CPU: 12481.6, 0.00303688/step Wall: 12481.6, 0.00303688/step, 0.710123 hours remaining, 207.652344 MB of memory in use. ENERGY: 4158200 752.5954 2070.9815 1974.5008 108.0509 -206419.0297 18038.7505 0.0000 0.0000 34377.9257 -149096.2249 300.2310 -183474.1506 -149002.7280 299.9955 185.4230 218.3310 555989.9175 -1.5068 -1.3069 PRESSURE: 4158400 -152.668 -84.8167 65.1226 -84.8155 -387.911 -159.489 65.1232 -159.488 -150.027 GPRESSURE: 4158400 -101.591 -100.549 11.2492 -126.598 -337.933 -136.488 31.7415 -138.072 -160.177 PRESSAVG: 4158400 27.0495 17.5489 36.9256 17.549 17.3552 12.0367 36.9255 12.0367 -24.2763 GPRESSAVG: 4158400 24.101 17.7795 34.1548 16.8596 19.3011 15.6464 35.8346 8.87667 -24.3299 TIMING: 4158400 CPU: 12482.2, 0.00305813/step Wall: 12482.2, 0.00305813/step, 0.714923 hours remaining, 207.652344 MB of memory in use. ENERGY: 4158400 772.7355 2121.2028 1917.6462 117.2705 -205714.1345 17583.0405 0.0000 0.0000 34102.5693 -149099.6697 297.8262 -183202.2390 -149011.0221 299.5827 -230.2020 -199.9002 558483.6204 6.7095 6.3574 PRESSURE: 4158600 68.7106 95.3692 -41.9922 95.368 -80.141 163.771 -41.9945 163.771 30.0799 GPRESSURE: 4158600 50.4457 23.0183 -34.7148 84.7654 -26.0713 223.159 -47.2885 101.283 89.3827 PRESSAVG: 4158600 31.6629 32.7159 -37.5003 32.7159 -17.8826 -20.6801 -37.5002 -20.68 7.88551 GPRESSAVG: 4158600 31.9398 31.2294 -35.4122 32.9603 -18.969 -22.0198 -36.6031 -20.5025 7.87288 TIMING: 4158600 CPU: 12482.8, 0.00305393/step Wall: 12482.8, 0.00305393/step, 0.713772 hours remaining, 207.652344 MB of memory in use. ENERGY: 4158600 809.6853 2077.2143 1940.0758 109.3499 -206083.9740 17754.0483 0.0000 0.0000 34228.0342 -149165.5662 298.9219 -183393.6005 -149070.3239 300.0603 6.2165 37.9191 555814.1190 7.2219 6.9479 PRESSURE: 4158800 48.297 71.5745 76.5299 71.5733 -43.2706 -65.6947 76.5292 -65.697 -109.282 GPRESSURE: 4158800 126.522 -0.20169 -13.9741 53.2461 -53.3212 -47.0833 18.3432 -82.6632 -94.5265 PRESSAVG: 4158800 105.137 -10.6872 47.3094 -10.6871 -21.5574 -9.38216 47.3094 -9.38204 -68.1635 GPRESSAVG: 4158800 104.817 -10.1143 46.5904 -10.2259 -22.4752 -8.08033 47.3124 -8.62559 -67.1077 TIMING: 4158800 CPU: 12483.4, 0.00305613/step Wall: 12483.4, 0.00305613/step, 0.714116 hours remaining, 207.652344 MB of memory in use. ENERGY: 4158800 768.4637 2105.5106 1953.7397 112.4404 -206297.0125 17770.4217 0.0000 0.0000 34171.2313 -149415.2051 298.4259 -183586.4364 -149321.8975 299.0782 -34.7517 -7.1087 555753.6666 5.1385 5.0781 PRESSURE: 4159000 -44.5676 -35.0964 -36.269 -35.0963 -110.729 104.469 -36.2682 104.468 -191.714 GPRESSURE: 4159000 -16.4372 -2.75558 -86 -50.5752 -30.7694 188.907 37.2011 31.3046 -194.797 PRESSAVG: 4159000 37.9626 35.2851 35.1247 35.2851 -37.2847 1.96669 35.1247 1.96677 20.5018 GPRESSAVG: 4159000 37.8606 34.6735 35.5042 35.988 -36.2157 1.16825 34.1548 2.66851 19.6844 TIMING: 4159000 CPU: 12484, 0.00304415/step Wall: 12484, 0.00304415/step, 0.711147 hours remaining, 207.652344 MB of memory in use. ENERGY: 4159000 758.5961 2118.9953 1934.1502 123.2809 -206179.3838 17647.5436 0.0000 0.0000 34303.0861 -149293.7317 299.5774 -183596.8178 -149200.5307 299.5675 -115.6702 -80.6677 557457.9900 7.0599 7.1098 PRESSURE: 4159200 -89.551 8.68152 -42.2562 8.68061 -202.426 -47.431 -42.2555 -47.4315 -287.858 GPRESSURE: 4159200 -95.1963 49.0904 -17.1841 -31.0538 -187.393 -82.63 -40.9807 -130.57 -193.072 PRESSAVG: 4159200 9.7361 -33.3429 45.0162 -33.3428 24.8979 -4.52316 45.0162 -4.52318 -48.7391 GPRESSAVG: 4159200 10.5762 -32.3652 45.6814 -34.82 23.7127 -5.46796 42.7692 -5.77215 -48.7754 TIMING: 4159200 CPU: 12484.6, 0.00305763/step Wall: 12484.6, 0.00305763/step, 0.714127 hours remaining, 207.652344 MB of memory in use. ENERGY: 4159200 758.9955 2069.4067 1953.3033 102.2824 -205803.3419 17469.5700 0.0000 0.0000 34164.6925 -149285.0915 298.3688 -183449.7840 -149185.7563 299.0169 -193.2784 -158.5539 557628.9098 -4.7017 -4.8289 PRESSURE: 4159400 -46.7467 11.5512 -10.2915 11.5521 -68.745 6.49028 -10.2919 6.4912 -27.1161 GPRESSURE: 4159400 6.71887 15.0038 39.2355 28.1822 -61.7505 -38.127 25.9867 11.1549 3.78585 PRESSAVG: 4159400 -12.7093 34.7751 28.7062 34.775 13.6249 -22.6201 28.7061 -22.6201 -6.90242 GPRESSAVG: 4159400 -13.0909 36.5856 28.103 33.7607 13.7788 -21.8219 32.9232 -22.4588 -6.50527 TIMING: 4159400 CPU: 12485.2, 0.00306227/step Wall: 12485.2, 0.00306227/step, 0.71504 hours remaining, 207.652344 MB of memory in use. ENERGY: 4159400 778.9619 2102.4805 1958.3645 113.8930 -206163.5203 17735.9531 0.0000 0.0000 34009.4663 -149464.4010 297.0131 -183473.8673 -149367.9598 298.4963 -47.5360 -17.0819 555662.3942 -1.9956 -1.9391 PRESSURE: 4159600 -213.421 37.0135 112.72 37.0131 -51.6533 26.8665 112.722 26.867 26.5927 GPRESSURE: 4159600 -168.721 -4.67236 67.0472 27.7899 26.718 -1.56949 32.7965 -79.3111 3.63222 PRESSAVG: 4159600 48.1195 -14.884 53.3039 -14.8841 -14.2879 28.9419 53.3039 28.9418 -46.0404 GPRESSAVG: 4159600 48.0066 -16.2413 53.2489 -14.2349 -13.7668 29.5105 52.215 28.0059 -46.515 TIMING: 4159600 CPU: 12485.9, 0.00307624/step Wall: 12485.9, 0.00307624/step, 0.718131 hours remaining, 207.652344 MB of memory in use. ENERGY: 4159600 752.0264 2014.6463 1983.6278 120.3490 -206278.8633 17703.5441 0.0000 0.0000 34252.2891 -149452.3806 299.1338 -183704.6696 -149359.9930 299.2388 -79.4940 -46.1237 557231.1516 -4.0696 -4.0918 PRESSURE: 4159800 -76.9824 83.003 -21.0409 83.0018 -5.08798 -53.0633 -21.0409 -53.062 -36.0073 GPRESSURE: 4159800 -33.4353 95.1955 89.8643 79.2789 27.1294 -29.6506 -45.7362 -81.6441 -22.6553 PRESSAVG: 4159800 -25.1191 -9.83756 19.7843 -9.83757 -47.8939 -9.48563 19.7842 -9.4859 26.0435 GPRESSAVG: 4159800 -23.7531 -9.96417 20.6835 -9.9695 -48.318 -10.6773 18.3099 -6.77045 25.0093 TIMING: 4159800 CPU: 12486.5, 0.00306977/step Wall: 12486.5, 0.00306977/step, 0.716451 hours remaining, 207.652344 MB of memory in use. ENERGY: 4159800 752.0886 2051.2986 1942.9439 109.1215 -206327.2936 17827.4858 0.0000 0.0000 34290.8372 -149353.5179 299.4704 -183644.3551 -149262.4601 298.7611 -39.3592 -9.6537 556959.9298 -15.6565 -15.6873 PRESSURE: 4160000 -28.3788 0.78138 -4.30071 0.781154 182.759 -109.754 -4.30197 -109.755 -52.323 GPRESSURE: 4160000 -10.9339 14.3454 -21.8381 55.0569 206.022 -114.656 -56.3145 -98.2247 4.55159 PRESSAVG: 4160000 0.724557 41.8323 73.182 41.8324 16.1942 -34.6257 73.1821 -34.6257 -11.1084 GPRESSAVG: 4160000 -0.496345 40.0973 71.9228 43.4733 16.5097 -33.1941 74.0049 -39.1062 -9.87005 TIMING: 4160000 CPU: 12487.1, 0.00307105/step Wall: 12487.1, 0.00307105/step, 0.716578 hours remaining, 207.652344 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: 4160000 706.6815 2134.0068 1948.0662 112.7776 -206186.5568 17778.7675 0.0000 0.0000 34152.4260 -149353.8312 298.2616 -183506.2572 -149256.3553 299.3345 34.0190 66.5465 557948.8903 1.9368 2.0478 PRESSURE: 4160200 306.251 -64.1273 139.043 -64.1271 233.615 -21.4385 139.043 -21.4386 313.183 GPRESSURE: 4160200 304.003 -16.3575 149.468 -97.9458 270.904 -87.1614 123.436 -1.27663 380.543 PRESSAVG: 4160200 -4.19514 56.3694 23.6025 56.3695 24.0911 -25.4743 23.6025 -25.4744 -13.6122 GPRESSAVG: 4160200 -5.11972 55.6051 21.998 55.6934 24.8948 -25.4676 24.2557 -23.9773 -13.7612 TIMING: 4160200 CPU: 12487.7, 0.0030635/step Wall: 12487.7, 0.0030635/step, 0.714646 hours remaining, 207.652344 MB of memory in use. ENERGY: 4160200 764.8530 2057.8279 1944.1172 119.0973 -206813.1789 18221.8614 0.0000 0.0000 34405.1763 -149300.2458 300.4690 -183705.4222 -149201.9835 299.0580 284.3495 318.4832 555938.2862 2.0946 2.0046 LDB: ============= START OF LOAD BALANCING ============== 12491.1 LDB: ============== END OF LOAD BALANCING =============== 12491.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12491.1 LDB: ============= START OF LOAD BALANCING ============== 12491.4 LDB: Largest compute 4820 load 0.023643 is 20.0% of average load 0.118116 LDB: Average compute 0.001715 is 1.5% of average load 0.118116 LDB: TIME 12491.4 LOAD: AVG 0.118116 MAX 0.222862 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.844 MB LDB: TIME 12491.4 LOAD: AVG 0.118116 MAX 0.222862 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.844 MB LDB: TIME 12491.4 LOAD: AVG 0.118116 MAX 0.222862 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.844 MB LDB: ============== END OF LOAD BALANCING =============== 12491.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12491.5 PRESSURE: 4160400 -115.3 70.4101 103.798 70.411 -19.9774 11.2305 103.798 11.23 172.683 GPRESSURE: 4160400 -77.1841 33.6224 139.045 132.999 -7.30003 -41.28 30.3097 76.4553 227.131 PRESSAVG: 4160400 37.9741 -16.6396 -26.6754 -16.6396 -16.9934 13.9091 -26.6755 13.9091 -41.24 GPRESSAVG: 4160400 38.3862 -14.0944 -26.5982 -18.1048 -16.8759 13.6251 -27.5029 14.3082 -41.7038 TIMING: 4160400 CPU: 12488.3, 0.00312864/step Wall: 12488.3, 0.00312864/step, 0.729669 hours remaining, 208.093750 MB of memory in use. ENERGY: 4160400 737.0675 2135.8838 1952.4846 115.7444 -206193.6833 17832.4500 0.0000 0.0000 34218.9169 -149201.1361 298.8423 -183420.0530 -149103.6236 299.4280 12.4687 47.5490 557841.1949 -6.7531 -6.7312 PRESSURE: 4160600 -20.1026 48.7453 -50.8968 48.7447 38.2458 -162.298 -50.8965 -162.299 37.669 GPRESSURE: 4160600 -23.6218 -5.67122 -60.3975 175.789 40.7444 -95.0747 -122.853 -154.958 139.676 PRESSAVG: 4160600 30.238 12.4446 -40.4328 12.4447 6.82603 50.8952 -40.4328 50.8951 -25.3151 GPRESSAVG: 4160600 30.7706 11.101 -37.7395 13.9967 4.43412 50.5909 -40.2056 51.2938 -23.748 TIMING: 4160600 CPU: 12488.9, 0.00305069/step Wall: 12488.9, 0.00305069/step, 0.71132 hours remaining, 208.093750 MB of memory in use. ENERGY: 4160600 732.7871 2106.3223 1939.1279 99.8861 -206090.0763 17743.2778 0.0000 0.0000 34328.1469 -149140.5281 299.7962 -183468.6750 -149044.7197 299.0576 18.6041 52.2662 557560.1196 3.9163 3.8189 PRESSURE: 4160800 24.9248 114.542 -214.459 114.541 -146.251 -25.5131 -214.459 -25.5133 -6.60968 GPRESSURE: 4160800 43.5052 120.138 -249.326 65.7001 -109.005 -50.8156 -218.233 -75.1622 27.4736 PRESSAVG: 4160800 20.395 8.0263 3.48365 8.02626 67.6974 -0.757616 3.48367 -0.757701 -25.4007 GPRESSAVG: 4160800 20.4665 8.16663 -0.0266807 7.34121 69.5812 0.38258 4.64554 -1.07212 -27.5559 TIMING: 4160800 CPU: 12489.5, 0.00303786/step Wall: 12489.5, 0.00303786/step, 0.708159 hours remaining, 208.093750 MB of memory in use. ENERGY: 4160800 746.3429 2086.0168 1949.7343 123.3121 -205933.6882 17627.5348 0.0000 0.0000 34239.5854 -149161.1620 299.0228 -183400.7474 -149072.4624 299.6556 -42.6454 -12.6755 557375.3604 20.8973 20.8306 PRESSURE: 4161000 228.526 11.8585 5.66762 11.8577 -69.9288 77.6805 5.66775 77.6785 74.6755 GPRESSURE: 4161000 229.578 0.108024 87.9834 19.3097 -15.5609 100.257 -19.4496 88.5596 116.33 PRESSAVG: 4161000 18.0985 35.2799 -16.1373 35.2798 35.8115 -14.6486 -16.1373 -14.6486 16.8679 GPRESSAVG: 4161000 16.9936 36.147 -14.8871 33.5133 35.0053 -17.7536 -15.714 -12.9794 18.4691 TIMING: 4161000 CPU: 12490.2, 0.00304385/step Wall: 12490.2, 0.00304385/step, 0.709386 hours remaining, 208.093750 MB of memory in use. ENERGY: 4161000 734.2307 2127.7631 1948.4354 111.6533 -206477.7214 18066.2477 0.0000 0.0000 34295.4831 -149193.9080 299.5110 -183489.3912 -149094.9732 299.4980 77.7576 110.1157 557814.8823 23.5926 23.4893 PRESSURE: 4161200 -247.59 7.07306 -82.4431 7.07327 -161.994 111.776 -82.4435 111.776 -250.593 GPRESSURE: 4161200 -241.347 48.0152 -14.6464 -61.6529 -107.766 59.3812 -83.5252 67.296 -195.024 PRESSAVG: 4161200 45.194 17.5199 3.92764 17.5201 -3.68924 13.8398 3.92763 13.8398 -36.4809 GPRESSAVG: 4161200 45.4217 15.9199 4.17435 18.0987 -4.39997 16.3279 4.09001 11.4415 -35.8205 TIMING: 4161200 CPU: 12490.8, 0.00301651/step Wall: 12490.8, 0.00301651/step, 0.702846 hours remaining, 208.093750 MB of memory in use. ENERGY: 4161200 739.0622 2122.2714 1960.8424 114.2486 -206004.8870 17651.0992 0.0000 0.0000 34235.7253 -149181.6378 298.9891 -183417.3631 -149078.3476 299.5750 -220.0591 -181.3791 558239.7326 1.6746 1.7338 PRESSURE: 4161400 59.9301 -65.8506 46.4865 -65.8503 -199.032 -16.3413 46.4874 -16.344 -203.551 GPRESSURE: 4161400 105.441 -15.0506 -5.74247 -58.6708 -196.033 -117.215 -19.8717 21.1749 -157.782 PRESSAVG: 4161400 28.0005 -32.4998 18.6597 -32.4998 -0.981845 -12.1812 18.6596 -12.1811 -25.1629 GPRESSAVG: 4161400 29.6458 -32.481 18.2873 -30.2562 -0.334053 -14.0038 15.673 -11.538 -27.0291 TIMING: 4161400 CPU: 12491.4, 0.00304714/step Wall: 12491.4, 0.00304714/step, 0.709814 hours remaining, 208.093750 MB of memory in use. ENERGY: 4161400 738.7668 2061.8316 1950.8276 118.0041 -205817.5962 17551.0524 0.0000 0.0000 34226.0757 -149171.0380 298.9048 -183397.1138 -149070.4158 299.5652 -114.2175 -82.7914 558922.4693 0.6186 0.7609 PRESSURE: 4161600 -17.1276 -168.552 50.3552 -168.553 44.7965 28.4236 50.3544 28.4222 116.934 GPRESSURE: 4161600 -22.2798 -115.266 5.0427 -171.014 142.049 88.0134 105.267 -26.4124 120.721 PRESSAVG: 4161600 9.12102 -51.0171 -5.43368 -51.0172 -17.6234 5.11827 -5.43369 5.11832 -15.7797 GPRESSAVG: 4161600 9.78656 -51.1271 -4.03888 -52.3213 -18.4355 6.72214 -5.3564 6.11579 -15.5688 TIMING: 4161600 CPU: 12492, 0.00301166/step Wall: 12492, 0.00301166/step, 0.701382 hours remaining, 208.093750 MB of memory in use. ENERGY: 4161600 742.2833 2037.5029 1965.1284 122.3995 -206304.1674 17868.5545 0.0000 0.0000 34346.3195 -149221.9794 299.9550 -183568.2989 -149124.3130 299.5556 48.2010 80.1633 557291.1082 -8.0940 -8.0726 PRESSURE: 4161800 -112.777 8.20453 -61.1182 8.20468 -17.6019 -3.48589 -61.1181 -3.48402 176.376 GPRESSURE: 4161800 -110.694 -16.6249 -41.4525 -10.2289 5.31201 62.5203 -58.2282 -90.2601 250.669 PRESSAVG: 4161800 -32.4314 -69.0703 -18.1399 -69.0703 -22.4413 22.0921 -18.1399 22.0921 56.8798 GPRESSAVG: 4161800 -32.4553 -68.4411 -19.6425 -69.1992 -22.5385 20.7789 -16.5683 23.1969 56.6301 TIMING: 4161800 CPU: 12492.6, 0.00303462/step Wall: 12492.6, 0.00303462/step, 0.70656 hours remaining, 208.093750 MB of memory in use. ENERGY: 4161800 761.5594 2051.9737 1932.3891 113.0734 -206159.6520 17807.9783 0.0000 0.0000 34406.6649 -149086.0131 300.4820 -183492.6780 -148990.9217 298.9146 15.3323 48.4291 557217.4950 0.6690 0.5454 PRESSURE: 4162000 126.673 -42.8364 86.9013 -42.8378 192.262 99.1069 86.9019 99.1078 -100.794 GPRESSURE: 4162000 170.184 -9.28514 116.629 -25.0692 184.69 -12.1066 208.41 175.01 -54.432 PRESSAVG: 4162000 -37.2121 41.577 17.3429 41.5771 -7.91838 11.7862 17.343 11.7862 113.446 GPRESSAVG: 4162000 -37.812 41.1872 17.8713 42.2826 -7.98073 10.2341 17.4601 12.3653 113.776 TIMING: 4162000 CPU: 12493.2, 0.00305433/step Wall: 12493.2, 0.00305433/step, 0.710979 hours remaining, 208.093750 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: 4162000 762.8922 2174.8063 1920.9899 111.0756 -206308.2585 17946.1990 0.0000 0.0000 34161.7841 -149230.5115 298.3434 -183392.2956 -149139.0512 299.4778 72.7136 100.1472 556105.8089 22.7717 22.6610 PRESSURE: 4162200 -42.5866 -14.2867 93.3452 -14.2857 -62.1874 -6.78479 93.3441 -6.78706 -92.9278 GPRESSURE: 4162200 -16.3655 -30.2371 23.7191 -74.771 0.768928 -52.4436 45.5333 -10.1647 -78.4002 PRESSAVG: 4162200 -3.0471 -27.4053 -12.6365 -27.4052 -36.5054 36.2684 -12.6364 36.2685 55.893 GPRESSAVG: 4162200 -3.15555 -29.5036 -11.7513 -26.9894 -35.5138 38.0429 -14.3634 35.0971 55.5039 TIMING: 4162200 CPU: 12493.8, 0.00303311/step Wall: 12493.8, 0.00303311/step, 0.705871 hours remaining, 208.093750 MB of memory in use. ENERGY: 4162200 718.9141 2130.6281 1927.3919 120.0645 -206187.1846 17637.1168 0.0000 0.0000 34411.8943 -149241.1750 300.5276 -183653.0693 -149143.0684 299.6401 -65.9006 -31.3322 557193.9151 5.4468 5.6115 PRESSURE: 4162400 232.902 -177.025 2.02362 -177.026 -148.784 75.9891 2.02245 75.9891 59.3741 GPRESSURE: 4162400 233.249 -267.079 18.2119 -68.8795 -72.6932 88.832 -16.0593 37.2792 94.6431 PRESSAVG: 4162400 30.7503 13.9683 -25.3441 13.9683 -32.7017 -10.7389 -25.3441 -10.7388 30.8392 GPRESSAVG: 4162400 30.9465 15.2419 -23.6994 13.3763 -31.7409 -10.6334 -25.4422 -10.4974 29.2931 TIMING: 4162400 CPU: 12494.4, 0.00304262/step Wall: 12494.4, 0.00304262/step, 0.707917 hours remaining, 208.093750 MB of memory in use. ENERGY: 4162400 723.7963 2024.1372 1952.6727 109.8071 -206132.0337 17876.2571 0.0000 0.0000 34188.5641 -149256.7992 298.5772 -183445.3633 -149167.3460 298.8190 47.8306 85.0665 558382.2213 9.6293 9.4995 PRESSURE: 4162600 -109.94 137.234 103.57 137.234 -157.36 -16.3772 103.571 -16.3795 -364.353 GPRESSURE: 4162600 -118.452 174.664 137.689 109.892 -96.5288 -19.6122 151.227 -11.3122 -313.633 PRESSAVG: 4162600 101.782 16.9153 47.1676 16.9152 -58.1833 -2.22735 47.1675 -2.22723 -46.5962 GPRESSAVG: 4162600 99.6115 15.6812 45.8796 18.363 -57.7358 -2.19232 48.1093 -3.07325 -44.9785 TIMING: 4162600 CPU: 12495, 0.00303657/step Wall: 12495, 0.00303657/step, 0.706339 hours remaining, 208.093750 MB of memory in use. ENERGY: 4162600 759.3188 2072.8362 1935.8420 106.6456 -205717.1342 17519.0782 0.0000 0.0000 34016.0818 -149307.3316 297.0709 -183323.4135 -149209.9172 299.2202 -210.5512 -176.2046 557872.2259 -0.9992 -1.0343 PRESSURE: 4162800 102.612 75.6018 -14.301 75.6021 34.1665 -73.113 -14.3002 -73.113 92.4263 GPRESSURE: 4162800 163.788 21.9375 -44.9179 64.3887 113.511 -6.58886 28.9858 -53.3932 54.5425 PRESSAVG: 4162800 5.16984 50.2231 22.4189 50.2231 65.7217 -44.7034 22.4189 -44.7033 -77.3121 GPRESSAVG: 4162800 6.29259 52.1963 22.8405 48.9405 64.6916 -45.2797 23.0204 -44.634 -77.0748 TIMING: 4162800 CPU: 12495.6, 0.00303139/step Wall: 12495.6, 0.00303139/step, 0.704967 hours remaining, 208.093750 MB of memory in use. ENERGY: 4162800 750.5460 2107.0356 1931.4656 122.0003 -206288.1071 17966.3771 0.0000 0.0000 34211.5122 -149199.1702 298.7776 -183410.6824 -149104.0636 299.2630 76.4015 110.6141 556290.0796 -2.1402 -2.0302 PRESSURE: 4163000 -158.658 174.687 -98.2554 174.687 102.03 -114.371 -98.2558 -114.37 -353.82 GPRESSURE: 4163000 -129.126 176.329 -152.415 188.619 153.8 -244.933 -75.8948 -43.4925 -336.903 PRESSAVG: 4163000 2.61585 0.558294 3.35832 0.558281 66.6477 15.9963 3.35834 15.9963 -54.0756 GPRESSAVG: 4163000 2.62478 2.65642 1.68871 -0.869135 66.4053 16.3556 4.9926 16.5804 -53.4994 TIMING: 4163000 CPU: 12496.2, 0.00306207/step Wall: 12496.2, 0.00306207/step, 0.71193 hours remaining, 208.093750 MB of memory in use. ENERGY: 4163000 780.8855 2111.2943 1967.9533 102.2407 -206254.5321 17798.7161 0.0000 0.0000 34212.2662 -149281.1761 298.7842 -183493.4423 -149180.5688 299.6262 -136.8161 -104.0762 557532.1137 5.0626 5.1769 PRESSURE: 4163200 -166.708 -168.788 -42.1452 -168.787 183.276 66.6146 -42.1457 66.6135 -127.061 GPRESSURE: 4163200 -38.9008 -275.705 -40.6843 -165.182 186.248 38.6889 -64.6106 104.025 -148.227 PRESSAVG: 4163200 54.8547 11.2642 19.348 11.2641 9.54126 -17.6203 19.348 -17.6204 -83.738 GPRESSAVG: 4163200 56.4077 7.04342 19.3409 13.5174 10.3902 -17.53 19.2117 -17.662 -85.598 TIMING: 4163200 CPU: 12496.8, 0.00306885/step Wall: 12496.8, 0.00306885/step, 0.713338 hours remaining, 208.093750 MB of memory in use. ENERGY: 4163200 777.5348 2076.6420 1920.9201 117.5721 -206349.6600 18040.8117 0.0000 0.0000 34148.9300 -149267.2493 298.2311 -183416.1793 -149165.0946 299.9825 -36.8311 -0.2935 558268.6758 -6.4474 -6.2667 PRESSURE: 4163400 -77.4544 -3.83011 84.1415 -3.82877 103.667 -84.894 84.141 -84.8931 -195.941 GPRESSURE: 4163400 -83.4595 42.4578 102.647 -18.8485 156.36 -133.565 141.866 -28.2657 -151.13 PRESSAVG: 4163400 53.2164 -8.44542 45.3614 -8.44549 -20.3146 19.5888 45.3614 19.5888 -64.3044 GPRESSAVG: 4163400 53.0207 -6.95549 45.3314 -7.92339 -20.315 20.5196 43.4495 15.5764 -64.3324 TIMING: 4163400 CPU: 12497.4, 0.00305361/step Wall: 12497.4, 0.00305361/step, 0.709625 hours remaining, 208.093750 MB of memory in use. ENERGY: 4163400 777.4147 2072.4123 1951.7028 109.6575 -206124.3522 17726.8232 0.0000 0.0000 34143.2535 -149343.0881 298.1815 -183486.3417 -149248.3822 299.1253 -56.5760 -26.0766 557077.7425 -10.4675 -10.5422 PRESSURE: 4163600 -20.6342 160.682 -113.369 160.681 -259.314 -162.33 -113.37 -162.33 -117.908 GPRESSURE: 4163600 41.5652 90.0553 -152.514 159.029 -236.004 -52.868 -66.8822 -172.835 -104.654 PRESSAVG: 4163600 -5.27237 -6.91176 -40.0181 -6.91169 -3.34654 -0.44993 -40.0181 -0.449887 11.8378 GPRESSAVG: 4163600 -5.75517 -7.15748 -40.6943 -5.58821 -2.95308 1.38876 -40.0192 1.58642 12.2549 TIMING: 4163600 CPU: 12498.1, 0.0030762/step Wall: 12498.1, 0.0030762/step, 0.714704 hours remaining, 208.093750 MB of memory in use. ENERGY: 4163600 731.6656 2048.0199 1925.5834 111.6565 -206155.9288 17757.4400 0.0000 0.0000 34256.2332 -149325.3302 299.1682 -183581.5634 -149222.2910 299.3813 -132.6189 -99.6974 557947.8069 1.0730 1.1822 PRESSURE: 4163800 -419.215 132.973 -216.344 132.974 -322.368 -80.4672 -216.345 -80.4656 -269.823 GPRESSURE: 4163800 -406.915 238.399 -284.816 61.8667 -264.191 -4.54236 -242.541 -97.6982 -240.94 PRESSAVG: 4163800 -72.1111 86.6804 6.22513 86.6803 39.3974 -18.0364 6.22517 -18.0365 23.1151 GPRESSAVG: 4163800 -73.2215 88.0295 7.71968 83.5674 38.2986 -21.5065 6.47641 -15.446 24.4887 TIMING: 4163800 CPU: 12498.7, 0.00304868/step Wall: 12498.7, 0.00304868/step, 0.70814 hours remaining, 208.093750 MB of memory in use. ENERGY: 4163800 748.8554 2112.6114 1925.3262 123.0000 -205557.1944 17156.8076 0.0000 0.0000 34193.0216 -149297.5722 298.6162 -183490.5938 -149207.8433 299.2152 -337.1352 -304.0154 557752.6611 -3.1995 -3.4781 PRESSURE: 4164000 3.5626 -206.584 4.76521 -206.584 305.305 -92.8809 4.76549 -92.8825 -76.3551 GPRESSURE: 4164000 3.0114 -220.087 40.7336 -181.433 385.169 -50.476 -25.5612 -164.812 -56.4085 PRESSAVG: 4164000 -0.401919 24.4048 21.7344 24.4048 15.8791 5.72793 21.7344 5.7279 -36.3701 GPRESSAVG: 4164000 -0.148049 22.6492 20.2304 27.2643 16.5054 5.7718 23.8079 4.81743 -36.7367 TIMING: 4164000 CPU: 12499.3, 0.00303698/step Wall: 12499.3, 0.00303698/step, 0.705255 hours remaining, 208.093750 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: 4164000 761.2519 2107.2316 1920.4471 115.7711 -206679.8447 18057.8130 0.0000 0.0000 34336.9526 -149380.3774 299.8731 -183717.3300 -149288.5856 299.0973 77.5040 110.5907 557512.5784 -6.9643 -6.7931 PRESSURE: 4164200 -47.3625 14.0946 11.1456 14.0954 -217.157 11.2885 11.1457 11.2872 -8.02993 GPRESSURE: 4164200 -43.0718 35.9678 -44.3821 -19.5626 -158.967 21.9684 11.1922 7.84539 34.2758 PRESSAVG: 4164200 -9.82115 5.84275 52.446 5.84272 -20.8587 -7.868 52.4461 -7.86796 42.2586 GPRESSAVG: 4164200 -9.32579 8.27533 52.95 1.7712 -19.6087 -8.02692 52.2252 -6.74576 40.4831 TIMING: 4164200 CPU: 12499.9, 0.00301474/step Wall: 12499.9, 0.00301474/step, 0.699922 hours remaining, 208.093750 MB of memory in use. ENERGY: 4164200 747.3638 2038.9585 1952.1704 120.9650 -206205.0163 17676.3426 0.0000 0.0000 34350.3039 -149318.9122 299.9897 -183669.2160 -149221.1319 299.3343 -90.8497 -55.9211 557326.9099 3.8596 3.8496 LDB: ============= START OF LOAD BALANCING ============== 12503.3 LDB: ============== END OF LOAD BALANCING =============== 12503.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12503.3 LDB: ============= START OF LOAD BALANCING ============== 12503.6 LDB: Largest compute 4820 load 0.024148 is 20.4% of average load 0.118118 LDB: Average compute 0.001713 is 1.5% of average load 0.118118 LDB: TIME 12503.6 LOAD: AVG 0.118118 MAX 0.222813 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 12503.6 LOAD: AVG 0.118118 MAX 0.222813 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.043 MB LDB: TIME 12503.6 LOAD: AVG 0.118118 MAX 0.222813 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.043 MB LDB: ============== END OF LOAD BALANCING =============== 12503.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12503.6 PRESSURE: 4164400 -186.118 39.7489 38.724 39.7501 57.2922 -11.2755 38.7238 -11.2756 273.043 GPRESSURE: 4164400 -148.485 13.3641 -17.4161 55.7232 107.64 26.4235 120.223 15.7517 282.357 PRESSAVG: 4164400 -35.5798 4.26066 8.96421 4.26066 40.7738 26.3981 8.96413 26.3981 -27.2027 GPRESSAVG: 4164400 -34.5701 1.06123 9.10341 5.62554 39.3275 27.4253 8.2067 26.1205 -26.0454 TIMING: 4164400 CPU: 12500.5, 0.00310725/step Wall: 12500.5, 0.00310725/step, 0.721228 hours remaining, 208.722656 MB of memory in use. ENERGY: 4164400 751.5947 2142.7761 1944.3254 110.1462 -206708.6183 18091.9447 0.0000 0.0000 34473.1409 -149194.6903 301.0625 -183667.8312 -149098.9045 298.9827 48.0725 80.5041 557837.4305 -7.3362 -7.0960 PRESSURE: 4164600 -230.7 -97.1301 -16.9954 -97.1297 -104.19 97.8842 -16.9956 97.8853 4.3029 GPRESSURE: 4164600 -163.468 -53.6419 10.4192 -52.0134 -121.46 0.790835 40.54 88.1372 44.7989 PRESSAVG: 4164600 8.00963 -36.5711 -17.2743 -36.5712 -4.18384 -18.5924 -17.2743 -18.5924 -14.6655 GPRESSAVG: 4164600 6.77015 -34.5924 -17.5162 -36.738 -2.91504 -20.0795 -15.8907 -18.8827 -14.7246 TIMING: 4164600 CPU: 12501.1, 0.00304754/step Wall: 12501.1, 0.00304754/step, 0.707199 hours remaining, 208.722656 MB of memory in use. ENERGY: 4164600 769.6614 2089.6309 1951.8488 111.5791 -206034.7764 17688.6940 0.0000 0.0000 34185.0717 -149238.2905 298.5467 -183423.3622 -149148.6143 299.3513 -110.1958 -80.0429 557579.2805 -3.6132 -3.6232 PRESSURE: 4164800 -456.047 6.14475 -14.9062 6.14409 -346.087 20.8853 -14.9052 20.8852 -2.985 GPRESSURE: 4164800 -431.246 0.996979 -7.31669 17.0749 -256.784 30.6242 -67.5112 4.80038 -17.966 PRESSAVG: 4164800 5.62051 -56.0738 -20.2702 -56.0738 -32.8674 32.7835 -20.2703 32.7835 28.6445 GPRESSAVG: 4164800 6.82084 -57.6332 -21.3701 -54.6718 -33.0224 32.9196 -20.6363 32.8667 27.7141 TIMING: 4164800 CPU: 12501.7, 0.003018/step Wall: 12501.7, 0.003018/step, 0.700176 hours remaining, 208.722656 MB of memory in use. ENERGY: 4164800 758.7365 2085.7694 1922.8160 115.7420 -205786.0882 17391.9882 0.0000 0.0000 34253.4463 -149257.5898 299.1439 -183511.0361 -149153.9383 298.7507 -268.3729 -235.3320 558927.3938 0.4659 0.5042 PRESSURE: 4165000 -133.289 -112.14 -4.72452 -112.139 86.458 -86.358 -4.72378 -86.3571 146.529 GPRESSURE: 4165000 -60.3366 -38.7204 15.5164 -164.146 83.4133 -109.355 -45.7642 -41.0576 167.258 PRESSAVG: 4165000 7.31847 -39.7086 -63.133 -39.7085 -36.1525 -9.89332 -63.133 -9.89326 54.4639 GPRESSAVG: 4165000 5.88667 -39.4968 -62.7318 -39.7413 -35.8119 -7.15633 -61.9054 -11.7095 55.9215 TIMING: 4165000 CPU: 12502.3, 0.00303056/step Wall: 12502.3, 0.00303056/step, 0.702922 hours remaining, 208.722656 MB of memory in use. ENERGY: 4165000 758.5957 2098.1428 1926.8481 120.7053 -206310.3851 17910.8321 0.0000 0.0000 34291.5006 -149203.7606 299.4762 -183495.2612 -149107.4165 299.2835 33.2327 63.4450 557893.4720 8.5433 8.6654 PRESSURE: 4165200 -147.952 51.8539 -60.1977 51.8537 -3.33253 84.9517 -60.1981 84.9513 6.11812 GPRESSURE: 4165200 -147.817 -2.99429 -152.258 -1.71166 3.18155 2.28287 -39.2774 100.347 82.1171 PRESSAVG: 4165200 -15.4798 -24.5093 -70.7139 -24.5093 22.6396 -2.75581 -70.7138 -2.75584 8.64161 GPRESSAVG: 4165200 -15.205 -23.8449 -70.8794 -25.4713 23.0606 -3.22938 -72.532 -3.02833 8.2533 TIMING: 4165200 CPU: 12502.9, 0.00303633/step Wall: 12502.9, 0.00303633/step, 0.704091 hours remaining, 208.722656 MB of memory in use. ENERGY: 4165200 751.1515 2049.8539 1936.4349 97.2148 -205723.6029 17694.5611 0.0000 0.0000 34059.2811 -149135.1054 297.4482 -183194.3866 -149053.2448 299.6260 -48.3889 -20.8395 560095.9477 5.2671 5.3696 PRESSURE: 4165400 -139.518 -39.7618 10.4447 -39.7626 -1.11741 166.085 10.4457 166.084 16.1811 GPRESSURE: 4165400 -66.0954 -68.5709 -26.826 -8.09521 35.5202 99.5736 62.4033 134.994 3.50778 PRESSAVG: 4165400 -64.0327 -24.0031 58.2475 -24.0031 31.1757 49.4896 58.2476 49.4895 10.2665 GPRESSAVG: 4165400 -63.9193 -23.2646 58.9581 -24.1487 29.9383 48.7277 58.8395 50.6924 12.0465 TIMING: 4165400 CPU: 12503.5, 0.00304651/step Wall: 12503.5, 0.00304651/step, 0.706281 hours remaining, 208.722656 MB of memory in use. ENERGY: 4165400 715.8120 2156.2971 1923.3164 104.4347 -206036.1364 17673.5713 0.0000 0.0000 34297.0255 -149165.6795 299.5245 -183462.7049 -149074.1461 299.4635 -41.4849 -9.0225 557322.6955 -7.5302 -7.3115 PRESSURE: 4165600 -203.728 -73.8589 66.0512 -73.8581 -61.992 -127.024 66.0518 -127.025 73.1571 GPRESSURE: 4165600 -122.113 -68.1688 22.3366 -60.0698 -43.5277 -173.409 114.242 -168.817 64.7757 PRESSAVG: 4165600 -64.9961 34.5573 13.8913 34.5573 51.7226 0.731098 13.8914 0.731072 13.388 GPRESSAVG: 4165600 -63.8075 31.972 13.4631 35.399 53.5587 0.449715 11.7138 0.428066 10.8924 TIMING: 4165600 CPU: 12504.1, 0.00303243/step Wall: 12504.1, 0.00303243/step, 0.70285 hours remaining, 208.722656 MB of memory in use. ENERGY: 4165600 743.8598 2053.5393 1922.4450 132.1926 -205903.9044 17854.3738 0.0000 0.0000 34144.1451 -149053.3489 298.1893 -183197.4941 -148954.4335 298.5820 -64.1875 -33.6218 559453.9499 0.0382 0.2145 PRESSURE: 4165800 58.4095 3.54619 126.524 3.54629 119.659 52.1124 126.522 52.1143 -80.5675 GPRESSURE: 4165800 97.6238 -4.08992 141.571 -128.393 173.852 45.7748 39.9359 37.1233 -73.7454 PRESSAVG: 4165800 -16.2979 -6.43648 15.8117 -6.43653 -9.88934 15.0324 15.8117 15.0323 -5.59774 GPRESSAVG: 4165800 -15.8731 -3.05302 16.0475 -7.09644 -10.518 15.0979 17.0126 14.1391 -5.24033 TIMING: 4165800 CPU: 12504.8, 0.00303051/step Wall: 12504.8, 0.00303051/step, 0.702236 hours remaining, 208.722656 MB of memory in use. ENERGY: 4165800 763.9695 2071.8720 1940.7240 100.5565 -206327.9697 18004.7763 0.0000 0.0000 34309.0471 -149137.0243 299.6294 -183446.0714 -149043.5230 299.4220 32.5003 65.9102 559162.7504 -10.5950 -10.5438 PRESSURE: 4166000 65.1065 -79.9801 -37.3611 -79.9807 -256.3 -49.6885 -37.3614 -49.687 55.6594 GPRESSURE: 4166000 94.7341 -150.549 -19.76 -47.6603 -212.686 3.49492 -5.32936 -128.668 84.7232 PRESSAVG: 4166000 53.1201 68.9509 21.5911 68.9508 -60.0472 -26.076 21.591 -26.0761 32.8265 GPRESSAVG: 4166000 51.7938 67.3193 23.2851 70.5645 -59.6157 -24.7337 20.9699 -27.6941 33.6013 TIMING: 4166000 CPU: 12505.4, 0.00305842/step Wall: 12505.4, 0.00305842/step, 0.708533 hours remaining, 208.722656 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: 4166000 713.7731 2116.4298 1955.5756 112.9854 -206170.5954 17686.5637 0.0000 0.0000 34402.2235 -149183.0441 300.4432 -183585.2677 -149092.8031 299.1005 -45.1782 -11.0761 558232.2877 8.6331 8.5931 PRESSURE: 4166200 -1.90773 -44.3321 -18.3194 -44.3322 308.025 148.141 -18.3184 148.142 -202.035 GPRESSURE: 4166200 52.7367 17.4243 -0.178048 -55.0002 319.155 115.737 -38.2694 183.058 -158.615 PRESSAVG: 4166200 52.4278 42.1614 23.6829 42.1614 29.4078 -2.28369 23.6829 -2.28372 -74.9962 GPRESSAVG: 4166200 52.3067 42.9458 22.3719 42.1848 28.9189 -3.56698 26.5806 0.0844232 -74.8797 TIMING: 4166200 CPU: 12506, 0.00304511/step Wall: 12506, 0.00304511/step, 0.705281 hours remaining, 208.722656 MB of memory in use. ENERGY: 4166200 739.4464 2077.7405 1955.0915 134.1456 -206505.1174 18035.9835 0.0000 0.0000 34404.9421 -149157.7678 300.4669 -183562.7099 -149056.5514 299.2907 34.6942 71.0920 556126.7803 2.2798 2.1153 PRESSURE: 4166400 10.4519 -101.543 42.319 -101.543 25.1968 132.128 42.3201 132.127 -210.697 GPRESSURE: 4166400 1.63742 -40.8671 81.9902 -120.429 108.183 166.123 36.5994 110.008 -197.095 PRESSAVG: 4166400 23.7535 -13.7087 30.8777 -13.7086 -25.8657 -1.5323 30.8778 -1.53227 4.58111 GPRESSAVG: 4166400 22.8429 -14.7226 32.0906 -13.7989 -25.3039 -0.895576 29.9037 -1.09921 4.1434 TIMING: 4166400 CPU: 12506.6, 0.00308559/step Wall: 12506.6, 0.00308559/step, 0.714485 hours remaining, 208.722656 MB of memory in use. ENERGY: 4166400 742.2609 2104.7822 1929.7664 115.0931 -205685.0778 17644.7349 0.0000 0.0000 34105.4919 -149042.9484 297.8517 -183148.4403 -148957.7906 299.1703 -58.3494 -29.0916 558126.0917 0.8230 0.5608 PRESSURE: 4166600 -223.195 -86.7296 84.286 -86.7299 -123.67 183.888 84.2859 183.888 -90.4989 GPRESSURE: 4166600 -219.526 -193.813 103.292 -51.6141 -57.461 188.61 40.0331 191.231 -62.5948 PRESSAVG: 4166600 -27.4435 47.4454 -51.4531 47.4454 3.18895 -25.9295 -51.4531 -25.9296 31.7889 GPRESSAVG: 4166600 -27.1083 49.1248 -51.0069 46.3786 2.89916 -26.4474 -52.6668 -25.9257 31.4494 TIMING: 4166600 CPU: 12507.2, 0.00307328/step Wall: 12507.2, 0.00307328/step, 0.711464 hours remaining, 208.722656 MB of memory in use. ENERGY: 4166600 724.3131 2101.8087 1961.1009 112.1468 -205861.5903 17618.7723 0.0000 0.0000 34264.8239 -149078.6246 299.2432 -183343.4485 -148981.5341 299.1351 -145.7879 -113.1938 558832.3744 2.5115 2.4134 PRESSURE: 4166800 -166.572 -53.1781 1.33668 -53.1786 -8.86867 132.178 1.33707 132.177 -346.632 GPRESSURE: 4166800 -151.642 -106.618 -19.447 -1.24671 -4.97052 65.7699 80.3167 148.958 -273.923 PRESSAVG: 4166800 -19.0773 8.44047 46.5798 8.44052 2.44734 24.3406 46.5799 24.3405 1.46785 GPRESSAVG: 4166800 -18.5648 6.981 45.1377 9.83202 1.8974 25.5155 48.9062 24.5538 1.28405 TIMING: 4166800 CPU: 12507.8, 0.00307386/step Wall: 12507.8, 0.00307386/step, 0.711429 hours remaining, 208.722656 MB of memory in use. ENERGY: 4166800 761.5395 2055.8730 1976.6907 110.8196 -206094.1284 17725.9256 0.0000 0.0000 34260.0609 -149203.2191 299.2016 -183463.2800 -149107.8304 299.1342 -174.0242 -143.5117 557567.8817 -5.0540 -5.1278 PRESSURE: 4167000 132.707 -15.8234 237.174 -15.8243 310.185 -143.165 237.173 -143.164 -338.068 GPRESSURE: 4167000 84.0062 -66.1993 179.605 -25.0749 361.997 -181.148 195.04 -147.025 -243.116 PRESSAVG: 4167000 4.76358 6.47694 42.5082 6.47698 62.4169 -29.3885 42.5083 -29.3883 -76.2689 GPRESSAVG: 4167000 3.84792 8.17353 42.8364 4.42958 63.1063 -31.35 39.1534 -30.7765 -76.0784 TIMING: 4167000 CPU: 12508.4, 0.00307004/step Wall: 12508.4, 0.00307004/step, 0.710373 hours remaining, 208.722656 MB of memory in use. ENERGY: 4167000 692.3674 2044.1828 1937.1486 107.9709 -206109.3577 17801.9215 0.0000 0.0000 34076.8418 -149448.9248 297.6015 -183525.7665 -149355.5150 298.1604 34.9412 67.6291 557502.3348 -3.0295 -3.0414 PRESSURE: 4167200 -29.053 -115.215 -25.3874 -115.215 -250.066 -60.6258 -25.3903 -60.6266 177.768 GPRESSURE: 4167200 8.72422 -206.385 25.2348 -64.6839 -203.444 35.6335 4.48817 -53.526 197.975 PRESSAVG: 4167200 -15.1137 17.8905 17.4279 17.8906 55.5973 -31.3712 17.4279 -31.3712 -15.7808 GPRESSAVG: 4167200 -13.4185 18.0496 16.1426 19.6213 54.5082 -29.733 20.8083 -30.432 -16.7597 TIMING: 4167200 CPU: 12509, 0.00305894/step Wall: 12509, 0.00305894/step, 0.707636 hours remaining, 208.722656 MB of memory in use. ENERGY: 4167200 754.6482 2116.7182 1939.2463 107.7804 -206495.6104 17852.8501 0.0000 0.0000 34112.7661 -149611.6012 297.9153 -183724.3673 -149514.4984 298.9849 -33.7835 1.0851 557179.0513 8.2342 8.1100 PRESSURE: 4167400 79.9746 -47.6775 178.917 -47.6783 -46.2204 149.944 178.916 149.944 33.1962 GPRESSURE: 4167400 135.307 -136.045 234.858 4.56356 -30.1126 81.7195 199.54 173.953 61.464 PRESSAVG: 4167400 -6.36875 9.17471 -59.2538 9.17466 -5.5277 5.55021 -59.2538 5.55035 9.72574 GPRESSAVG: 4167400 -7.68755 10.8767 -57.5651 7.58393 -4.14208 4.93938 -61.0593 5.09776 9.90868 TIMING: 4167400 CPU: 12509.7, 0.00302593/step Wall: 12509.7, 0.00302593/step, 0.699831 hours remaining, 208.722656 MB of memory in use. ENERGY: 4167400 746.8891 2099.0485 1941.2383 119.1050 -206789.6469 18055.5330 0.0000 0.0000 34248.9671 -149578.8660 299.1047 -183827.8331 -149482.4278 297.6951 22.3168 55.5530 556800.1459 -0.7236 -0.6403 PRESSURE: 4167600 -79.7629 72.7109 113.234 72.7123 -178.134 -42.556 113.234 -42.554 -64.253 GPRESSURE: 4167600 -47.5294 142.923 129.939 68.9428 -102.988 -108.22 134.11 24.3114 -80.77 PRESSAVG: 4167600 1.34859 38.2303 -32.1988 38.2303 -40.0989 11.9065 -32.1988 11.9065 70.2035 GPRESSAVG: 4167600 0.346901 38.016 -32.2761 38.511 -40.7276 12.2867 -31.3002 12.7221 71.6307 TIMING: 4167600 CPU: 12510.3, 0.00302088/step Wall: 12510.3, 0.00302088/step, 0.698496 hours remaining, 208.722656 MB of memory in use. ENERGY: 4167600 741.0482 2091.8164 1941.6850 115.0846 -206528.2399 17902.7769 0.0000 0.0000 34115.8143 -149620.0144 297.9419 -183735.8287 -149528.2592 298.0588 -107.3833 -77.0960 558846.7463 10.4844 10.4167 PRESSURE: 4167800 -23.495 -81.5068 45.707 -81.5059 -158.286 -17.2129 45.708 -17.2144 -113.5 GPRESSURE: 4167800 51.3977 -31.4585 -21.0788 -99.3721 -143.565 -64.0907 69.7416 -13.8314 -100.607 PRESSAVG: 4167800 -46.8032 54.6889 19.132 54.6889 42.7231 -46.4113 19.132 -46.4111 22.2909 GPRESSAVG: 4167800 -45.655 55.117 17.7896 53.3025 43.6586 -48.8027 17.8185 -45.3229 20.5012 TIMING: 4167800 CPU: 12510.9, 0.00305518/step Wall: 12510.9, 0.00305518/step, 0.706257 hours remaining, 208.722656 MB of memory in use. ENERGY: 4167800 764.1289 2122.7753 1937.3287 123.4121 -206479.1145 18040.4615 0.0000 0.0000 33942.6881 -149548.3200 296.4299 -183491.0081 -149462.1948 297.9497 -98.4268 -64.2580 557682.2469 6.0703 6.1683 PRESSURE: 4168000 73.8936 -32.2082 96.7564 -32.2089 71.5108 71.83 96.7555 71.8316 -58.3242 GPRESSURE: 4168000 111.72 19.924 28.2444 -31.2746 125.813 -0.329425 97.5581 159.768 -57.1335 PRESSAVG: 4168000 54.4831 22.8573 9.32398 22.8573 -37.6898 -26.2708 9.32387 -26.2707 -14.2157 GPRESSAVG: 4168000 54.4561 20.6092 8.53915 22.6337 -38.0466 -24.1781 10.8079 -26.2325 -14.5445 TIMING: 4168000 CPU: 12511.5, 0.00304569/step Wall: 12511.5, 0.00304569/step, 0.703893 hours remaining, 208.722656 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: 4168000 736.5249 2116.1160 1927.5702 115.3066 -206082.3680 17688.1346 0.0000 0.0000 34085.8749 -149412.8407 297.6804 -183498.7157 -149325.7304 298.5565 29.0267 60.1334 558558.5419 0.8592 0.6217 PRESSURE: 4168200 53.7572 109.881 -37.3909 109.88 310.078 64.8085 -37.392 64.8085 21.1409 GPRESSURE: 4168200 128.521 133.992 -35.0252 62.2065 316.403 -2.52854 1.56303 118.404 32.213 PRESSAVG: 4168200 15.5323 -22.1507 -42.251 -22.1507 31.9715 -15.6455 -42.251 -15.6455 -69.03 GPRESSAVG: 4168200 15.2408 -20.4062 -41.8632 -22.2524 31.5263 -16.739 -43.5425 -16.6723 -67.9471 TIMING: 4168200 CPU: 12512.1, 0.00303974/step Wall: 12512.1, 0.00303974/step, 0.702348 hours remaining, 208.722656 MB of memory in use. ENERGY: 4168200 704.6989 2123.0067 1953.7417 116.8080 -206847.8045 18169.5095 0.0000 0.0000 34269.3952 -149510.6445 299.2832 -183780.0397 -149416.1590 298.5710 128.3255 159.0457 556381.0691 -7.1754 -7.0600 LDB: ============= START OF LOAD BALANCING ============== 12515.5 LDB: ============== END OF LOAD BALANCING =============== 12515.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12515.5 LDB: ============= START OF LOAD BALANCING ============== 12515.8 LDB: Largest compute 4822 load 0.024616 is 20.8% of average load 0.118141 LDB: Average compute 0.001709 is 1.4% of average load 0.118141 LDB: TIME 12515.8 LOAD: AVG 0.118141 MAX 0.225178 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 12515.8 LOAD: AVG 0.118141 MAX 0.225178 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.25 MB LDB: TIME 12515.8 LOAD: AVG 0.118141 MAX 0.225178 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.25 MB LDB: ============== END OF LOAD BALANCING =============== 12515.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12515.8 PRESSURE: 4168400 -80.5312 -34.3332 113.796 -34.3328 70.1924 -21.6255 113.796 -21.6257 -138.474 GPRESSURE: 4168400 -7.38631 -40.4699 162.651 -59.1068 118.218 39.7245 141.991 -51.3507 -157.499 PRESSAVG: 4168400 21.0169 -0.708877 -30.1153 -0.70887 2.06862 10.6264 -30.1154 10.6264 -2.48378 GPRESSAVG: 4168400 20.8574 -1.26231 -27.7922 0.197632 2.2261 12.1242 -29.2572 11.6237 -2.35634 TIMING: 4168400 CPU: 12512.7, 0.00310442/step Wall: 12512.7, 0.00310442/step, 0.717121 hours remaining, 206.675781 MB of memory in use. ENERGY: 4168400 722.4855 2105.5029 1929.5498 105.8304 -206141.6339 17655.1515 0.0000 0.0000 34232.8892 -149390.2246 298.9643 -183623.1137 -149293.5502 298.1356 -49.6043 -15.5559 556241.4048 6.8672 6.9090 PRESSURE: 4168600 -247.375 62.2308 183.669 62.2321 -198.128 -172.354 183.669 -172.353 -279.094 GPRESSURE: 4168600 -210.016 9.89889 213.814 85.3644 -147.753 -139.158 160.033 -233.991 -270.686 PRESSAVG: 4168600 -20.3339 -8.5821 -41.7378 -8.58218 12.3188 -6.56353 -41.7378 -6.56367 -6.73302 GPRESSAVG: 4168600 -19.5256 -10.7128 -44.0079 -7.50025 12.5711 -6.74889 -41.6747 -7.2703 -7.72695 TIMING: 4168600 CPU: 12513.3, 0.0030487/step Wall: 12513.3, 0.0030487/step, 0.70408 hours remaining, 206.675781 MB of memory in use. ENERGY: 4168600 794.2829 2139.2563 1931.0099 108.5995 -205716.5708 17369.1527 0.0000 0.0000 33988.1874 -149386.0821 296.8273 -183374.2695 -149290.7626 298.6559 -241.5325 -209.4852 556746.2149 -4.9160 -4.8938 PRESSURE: 4168800 -8.88474 18.2277 -156.373 18.2283 60.5798 -167.006 -156.373 -167.005 -225.105 GPRESSURE: 4168800 56.7803 53.5271 -153.687 -11.1008 88.3034 -19.6592 -150.51 -227.276 -223.128 PRESSAVG: 4168800 -100.126 16.7734 -21.6488 16.7735 97.7492 10.2488 -21.6488 10.2489 48.0084 GPRESSAVG: 4168800 -100.616 17.7498 -22.2291 18.8292 98.2826 10.1668 -19.6033 10.5305 48.486 TIMING: 4168800 CPU: 12513.9, 0.00303561/step Wall: 12513.9, 0.00303561/step, 0.700888 hours remaining, 206.675781 MB of memory in use. ENERGY: 4168800 772.6077 2062.7266 1943.6489 118.3760 -206478.0012 17788.2782 0.0000 0.0000 34268.4325 -149523.9313 299.2747 -183792.3637 -149426.1748 298.7715 -57.8034 -26.0149 556124.4496 15.2104 15.3841 PRESSURE: 4169000 267.845 -175.304 97.2471 -175.303 -69.6531 -40.3481 97.248 -40.3468 -47.6246 GPRESSURE: 4169000 253.828 -274.492 103.969 -158.927 -24.3634 -30.504 106.592 -67.8947 8.62913 PRESSAVG: 4169000 39.3557 37.3819 18.9803 37.3819 -7.20047 -14.711 18.9802 -14.711 -84.5869 GPRESSAVG: 4169000 39.5315 36.1312 18.9228 34.2943 -8.28947 -14.054 18.9206 -16.174 -83.9149 TIMING: 4169000 CPU: 12514.5, 0.00302081/step Wall: 12514.5, 0.00302081/step, 0.697303 hours remaining, 206.675781 MB of memory in use. ENERGY: 4169000 735.5141 2066.4597 1938.9826 113.9548 -206648.3720 18073.9174 0.0000 0.0000 34227.5571 -149491.9864 298.9178 -183719.5435 -149395.4842 298.0009 50.1891 79.3646 556432.4250 -17.4772 -17.5576 PRESSURE: 4169200 -104.101 171.139 95.5309 171.139 219.937 241.651 95.5294 241.65 56.7223 GPRESSURE: 4169200 -93.7082 148.321 93.5936 218.795 259.106 265.262 83.3443 284.721 91.3908 PRESSAVG: 4169200 -0.840926 59.3518 7.58345 59.3517 -48.7488 49.2912 7.58341 49.2914 32.3656 GPRESSAVG: 4169200 -0.281308 60.4225 7.30913 59.021 -48.5941 48.3772 5.94901 51.3968 31.5731 TIMING: 4169200 CPU: 12515.1, 0.00305226/step Wall: 12515.1, 0.00305226/step, 0.704393 hours remaining, 206.675781 MB of memory in use. ENERGY: 4169200 741.3209 2100.5034 1928.8637 107.5695 -206537.8132 17855.3560 0.0000 0.0000 34337.9565 -149466.2432 299.8819 -183804.1997 -149376.3855 298.6969 57.5193 85.5961 555610.1856 -5.7414 -5.7674 PRESSURE: 4169400 -188.505 -9.04657 175.99 -9.04663 -83.4198 -81.9914 175.991 -81.9931 -126.094 GPRESSURE: 4169400 -182.327 71.8067 257.216 3.16836 -53.6218 -78.2405 137.522 -138.332 -71.0583 PRESSAVG: 4169400 -22.4071 50.4027 -39.2488 50.4028 -0.640657 10.3625 -39.2489 10.3624 30.0896 GPRESSAVG: 4169400 -23.4943 50.6426 -38.6407 50.9431 0.0152503 9.71648 -39.651 9.40958 30.0445 TIMING: 4169400 CPU: 12515.7, 0.00302237/step Wall: 12515.7, 0.00302237/step, 0.697329 hours remaining, 206.675781 MB of memory in use. ENERGY: 4169400 731.7175 2064.4643 1925.9478 115.4816 -206009.1422 17607.1644 0.0000 0.0000 34173.4567 -149390.9100 298.4453 -183564.3667 -149295.8004 298.4487 -132.6729 -102.3356 558156.2272 2.3473 2.1885 PRESSURE: 4169600 -67.2685 136.37 -9.55937 136.37 24.3997 118.238 -9.55909 118.237 109.452 GPRESSURE: 4169600 -15.931 125.61 -43.7619 119.716 6.44932 114.4 -12.0972 114.539 182.823 PRESSAVG: 4169600 -99.2814 0.313661 -43.4028 0.313656 20.1108 36.6939 -43.4028 36.694 50.5655 GPRESSAVG: 4169600 -98.3023 -0.955452 -41.9596 1.63292 18.6386 36.3654 -42.9574 36.9982 51.2672 TIMING: 4169600 CPU: 12516.3, 0.00303152/step Wall: 12516.3, 0.00303152/step, 0.69927 hours remaining, 206.675781 MB of memory in use. ENERGY: 4169600 777.4348 2108.0671 1894.8919 112.0273 -206389.6080 17881.7319 0.0000 0.0000 34216.3684 -149399.0866 298.8201 -183615.4551 -149308.6317 298.8267 22.1945 57.7804 556570.2687 -9.5351 -9.4655 PRESSURE: 4169800 -80.0475 10.1659 -26.6332 10.1651 -60.9463 -141.727 -26.6333 -141.727 84.1826 GPRESSURE: 4169800 -3.16668 98.7011 -89.022 -73.1961 -84.1177 -177.799 -38.5559 -118.484 125.753 PRESSAVG: 4169800 -34.4562 -33.6463 48.224 -33.6463 -47.9393 8.40533 48.224 8.40539 105.312 GPRESSAVG: 4169800 -34.5324 -31.0066 46.6162 -34.5844 -47.3047 10.7273 47.9787 8.99078 104.397 TIMING: 4169800 CPU: 12517, 0.00302419/step Wall: 12517, 0.00302419/step, 0.697411 hours remaining, 206.675781 MB of memory in use. ENERGY: 4169800 746.4432 2135.2378 1942.6843 109.4053 -206117.2705 17724.8239 0.0000 0.0000 34110.0942 -149348.5818 297.8919 -183458.6759 -149253.9043 299.4078 -18.9371 12.8228 556940.2650 7.6388 7.5198 PRESSURE: 4170000 -27.6231 9.03386 6.36122 9.03331 70.5977 -36.1536 6.36106 -36.1539 127.557 GPRESSURE: 4170000 48.6512 72.502 -7.13531 -47.0295 61.0518 -29.7855 43.022 -43.7016 161.07 PRESSAVG: 4170000 16.4528 -1.88372 -3.33652 -1.88369 -31.2133 -13.1063 -3.33646 -13.1062 7.47107 GPRESSAVG: 4170000 14.7277 -2.35848 -5.76414 -0.20159 -29.9082 -15.4551 -0.524484 -12.4527 7.90033 TIMING: 4170000 CPU: 12517.6, 0.00299968/step Wall: 12517.6, 0.00299968/step, 0.691594 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: 4170000 712.6330 2077.5304 1930.9709 99.5900 -206215.3882 17785.4104 0.0000 0.0000 34202.6144 -149406.6392 298.6999 -183609.2536 -149306.6836 298.7087 56.8438 90.2576 555986.1660 -2.4298 -2.4267 PRESSURE: 4170200 -187.407 -1.43866 13.4957 -1.43892 -21.4721 -37.6801 13.4946 -37.6825 -382.805 GPRESSURE: 4170200 -152.655 6.41632 -21.0897 18.6284 40.4046 43.3187 30.0741 -93.6395 -402.008 PRESSAVG: 4170200 -39.4401 11.8542 -52.0262 11.8542 23.6747 -44.8726 -52.0262 -44.8724 29.785 GPRESSAVG: 4170200 -38.0803 10.0705 -50.9925 11.5559 23.5482 -44.0972 -53.4533 -46.7133 28.5579 TIMING: 4170200 CPU: 12518.2, 0.00303058/step Wall: 12518.2, 0.00303058/step, 0.698548 hours remaining, 206.675781 MB of memory in use. ENERGY: 4170200 730.7451 2076.4729 1951.2883 110.6531 -205834.5991 17454.6929 0.0000 0.0000 34339.5297 -149171.2171 299.8957 -183510.7468 -149078.1676 299.8595 -197.2278 -171.4196 558127.7810 4.6732 4.6753 PRESSURE: 4170400 -105.845 -70.5996 -45.8266 -70.5997 -58.6149 161.596 -45.8265 161.595 -257.937 GPRESSURE: 4170400 -53.83 -77.3141 39.3085 -77.2683 -68.298 113.233 -54.289 140.644 -198.68 PRESSAVG: 4170400 17.0492 -12.067 -29.9328 -12.067 42.5057 5.6755 -29.9329 5.67549 -50.2805 GPRESSAVG: 4170400 17.3851 -11.5164 -29.4393 -13.6074 43.6047 7.5981 -28.0323 4.04976 -50.6935 TIMING: 4170400 CPU: 12518.8, 0.00305029/step Wall: 12518.8, 0.00305029/step, 0.702922 hours remaining, 206.675781 MB of memory in use. ENERGY: 4170400 715.3621 2073.5151 1946.2140 120.7166 -206018.0000 17679.9879 0.0000 0.0000 34244.5320 -149237.6723 299.0660 -183482.2043 -149147.7328 299.7130 -140.7990 -106.9361 557961.9577 3.0915 3.4321 PRESSURE: 4170600 192.319 -39.8602 -69.9505 -39.86 514.043 187.826 -69.9515 187.826 180.758 GPRESSURE: 4170600 285.256 0.00769339 -33.6514 -41.0612 482.905 218.827 -222.249 150.472 223.715 PRESSAVG: 4170600 -19.9342 -4.09256 -3.25916 -4.09266 41.7747 51.2196 -3.25921 51.2196 -9.77913 GPRESSAVG: 4170600 -19.0661 -3.57648 -1.95682 -2.98435 40.8594 49.8684 -5.46728 52.7161 -8.93666 TIMING: 4170600 CPU: 12519.4, 0.00308119/step Wall: 12519.4, 0.00308119/step, 0.709872 hours remaining, 206.675781 MB of memory in use. ENERGY: 4170600 725.8788 2060.8261 1924.2567 127.2961 -206812.0642 18323.1800 0.0000 0.0000 34247.5338 -149403.0927 299.0922 -183650.6264 -149296.4309 298.5074 295.7066 330.6254 555668.8670 4.0205 4.2856 PRESSURE: 4170800 -154.291 -124.731 -361.979 -124.732 -227.014 94.2017 -361.979 94.2006 -292.684 GPRESSURE: 4170800 -224.755 -155.802 -340.174 -116.089 -157.982 42.7234 -414.491 101.755 -200.792 PRESSAVG: 4170800 5.58386 -25.2648 -56.6469 -25.2647 37.0861 66.6843 -56.647 66.6844 -0.403915 GPRESSAVG: 4170800 4.86472 -24.1036 -58.2018 -27.0665 37.242 66.3663 -54.6893 67.0492 -0.211383 TIMING: 4170800 CPU: 12520, 0.00307752/step Wall: 12520, 0.00307752/step, 0.708855 hours remaining, 206.675781 MB of memory in use. ENERGY: 4170800 752.1388 2074.7532 1936.7612 123.6934 -205788.9863 17313.7561 0.0000 0.0000 34260.7930 -149327.0906 299.2080 -183587.8836 -149232.5363 298.8424 -224.6630 -194.5096 556732.8745 14.0887 13.9651 PRESSURE: 4171000 -73.1905 -99.8324 -15.9618 -99.8326 21.7144 72.1747 -15.9626 72.1754 -11.3195 GPRESSURE: 4171000 -4.80531 -203.554 58.9938 -45.1811 83.4993 114.502 -128.549 -25.4949 -30.0572 PRESSAVG: 4171000 -0.417654 37.1574 -34.7091 37.1574 28.8317 2.7264 -34.709 2.72637 27.2577 GPRESSAVG: 4171000 -1.04908 37.7704 -33.8216 37.5173 29.5148 3.08286 -36.591 2.28029 27.5452 TIMING: 4171000 CPU: 12520.6, 0.00302991/step Wall: 12520.6, 0.00302991/step, 0.697721 hours remaining, 206.675781 MB of memory in use. ENERGY: 4171000 727.8808 2060.8944 1946.7322 127.0030 -206124.7981 17830.2445 0.0000 0.0000 34049.6533 -149382.3900 297.3641 -183432.0433 -149287.3774 298.8092 -20.9319 16.2123 557038.6502 18.5572 18.6703 PRESSURE: 4171200 79.9471 -126.263 -161.2 -126.263 -162.307 66.7372 -161.198 66.7374 55.0148 GPRESSURE: 4171200 93.7271 -87.6842 -116.454 -189.4 -157.545 59.8487 -135.371 38.9192 137.585 PRESSAVG: 4171200 -15.6475 -7.67626 -34.8054 -7.67634 -62.708 1.55342 -34.8054 1.55333 60.9787 GPRESSAVG: 4171200 -15.5731 -7.87447 -35.5738 -7.65082 -62.6697 1.28456 -35.6259 1.09967 60.3944 TIMING: 4171200 CPU: 12521.2, 0.00303523/step Wall: 12521.2, 0.00303523/step, 0.698777 hours remaining, 206.675781 MB of memory in use. ENERGY: 4171200 719.8282 2046.6644 1960.0296 111.4546 -206095.6772 17823.1291 0.0000 0.0000 34089.6694 -149344.9020 297.7136 -183434.5714 -149245.5784 298.7420 -9.1151 24.5890 557884.0913 -5.7923 -5.9495 PRESSURE: 4171400 408.192 0.769716 16.3894 0.769224 -60.0733 63.2705 16.3908 63.2715 92.4659 GPRESSURE: 4171400 428.322 30.7961 10.2651 19.2007 26.4339 124.014 -18.2295 105.667 90.9657 PRESSAVG: 4171400 35.6043 -57.659 -34.7115 -57.6591 1.61314 21.8388 -34.7115 21.8389 14.7708 GPRESSAVG: 4171400 36.0844 -58.8382 -34.4748 -57.4371 1.44888 23.1286 -35.4916 23.3574 14.6907 TIMING: 4171400 CPU: 12521.8, 0.00299942/step Wall: 12521.8, 0.00299942/step, 0.690367 hours remaining, 206.675781 MB of memory in use. ENERGY: 4171400 752.5811 2085.1934 1946.4667 124.6038 -206511.4411 18219.9752 0.0000 0.0000 34197.1825 -149185.4384 298.6525 -183382.6210 -149094.9817 299.0531 146.8616 181.9072 557670.8209 17.3294 17.4080 PRESSURE: 4171600 -7.41746 168.068 29.8096 168.069 34.7786 -65.0835 29.8094 -65.0836 173.552 GPRESSURE: 4171600 70.644 233.759 -30.9551 71.2611 3.96556 -71.9683 120.637 -4.4792 220.533 PRESSAVG: 4171600 -13.48 31.2999 -17.0471 31.2999 -72.5945 27.9025 -17.047 27.9025 76.3243 GPRESSAVG: 4171600 -14.705 33.0321 -16.0935 29.9206 -73.1094 27.8406 -16.2697 27.7014 77.9626 TIMING: 4171600 CPU: 12522.4, 0.00303034/step Wall: 12522.4, 0.00303034/step, 0.697314 hours remaining, 206.675781 MB of memory in use. ENERGY: 4171600 724.5732 2067.0985 1946.6489 117.7701 -206169.2746 17913.3605 0.0000 0.0000 34200.6827 -149199.1408 298.6831 -183399.8234 -149107.9356 299.0504 66.9711 98.3808 557844.3433 -3.2501 -3.2839 PRESSURE: 4171800 -38.713 44.1257 -44.8767 44.1266 13.6213 43.0497 -44.8762 43.0494 67.0334 GPRESSURE: 4171800 -17.4191 20.802 -12.698 56.1503 40.2799 68.7197 -62.7558 -31.5243 121.478 PRESSAVG: 4171800 -40.8061 -51.4429 14.021 -51.443 34.0272 -7.08271 14.021 -7.08264 7.92059 GPRESSAVG: 4171800 -40.1433 -51.5706 14.0731 -50.9929 33.5311 -8.51349 13.3888 -8.12107 8.02923 TIMING: 4171800 CPU: 12523, 0.00304005/step Wall: 12523, 0.00304005/step, 0.69938 hours remaining, 206.675781 MB of memory in use. ENERGY: 4171800 708.7177 2131.7464 1930.0520 109.3801 -206223.6193 17843.8150 0.0000 0.0000 34147.2456 -149352.6625 298.2164 -183499.9082 -149253.0678 298.8949 13.9806 48.1128 556210.9333 0.3806 0.4723 PRESSURE: 4172000 -56.8541 33.0959 22.4979 33.0954 136.19 63.8821 22.498 63.8806 105.491 GPRESSURE: 4172000 -11.5634 79.7893 9.04975 61.9389 148.388 81.0112 33.2935 46.7845 142.149 PRESSAVG: 4172000 13.3353 -55.2116 4.21404 -55.2116 -14.562 9.38733 4.21397 9.38724 45.7311 GPRESSAVG: 4172000 14.2582 -56.7258 3.93993 -54.1846 -15.6774 11.9899 6.21221 8.31446 45.6733 TIMING: 4172000 CPU: 12523.6, 0.00303626/step Wall: 12523.6, 0.00303626/step, 0.69834 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: 4172000 740.5425 2102.9762 1924.3369 112.0085 -206432.3732 17725.7990 0.0000 0.0000 34256.8525 -149569.8576 299.1736 -183826.7101 -149473.8828 299.2346 61.6091 92.9914 556219.1253 14.8348 14.7514 PRESSURE: 4172200 -27.8795 84.1804 31.6433 84.1785 -146.287 67.316 31.6437 67.3159 56.9717 GPRESSURE: 4172200 -9.38517 115.786 33.102 66.9401 -126.209 47.068 5.65793 -6.77453 118.046 PRESSAVG: 4172200 68.4134 -50.6257 35.0678 -50.6258 -45.833 -24.5611 35.0677 -24.5611 -3.49487 GPRESSAVG: 4172200 67.1378 -49.452 33.5252 -51.7227 -44.9748 -26.5891 35.1599 -22.3744 -3.19335 TIMING: 4172200 CPU: 12524.2, 0.0030336/step Wall: 12524.2, 0.0030336/step, 0.69756 hours remaining, 206.675781 MB of memory in use. ENERGY: 4172200 722.9694 2114.0463 1944.1525 110.3390 -206888.9468 17995.3266 0.0000 0.0000 34261.4140 -149740.6990 299.2135 -184002.1130 -149642.9825 297.9204 -39.0651 -5.8495 557638.6860 6.3619 6.3232 LDB: ============= START OF LOAD BALANCING ============== 12527.7 LDB: ============== END OF LOAD BALANCING =============== 12527.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12527.7 LDB: ============= START OF LOAD BALANCING ============== 12528 LDB: Largest compute 4820 load 0.024419 is 20.7% of average load 0.118122 LDB: Average compute 0.001712 is 1.4% of average load 0.118122 LDB: TIME 12528 LOAD: AVG 0.118122 MAX 0.222318 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.98 MB LDB: TIME 12528 LOAD: AVG 0.118122 MAX 0.222318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.98 MB LDB: TIME 12528 LOAD: AVG 0.118122 MAX 0.222318 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.98 MB LDB: ============== END OF LOAD BALANCING =============== 12528 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12528 PRESSURE: 4172400 -95.6933 -40.803 121.425 -40.8034 -61.9601 2.78115 121.426 2.78153 -349.089 GPRESSURE: 4172400 -136.495 -24.0307 85.8665 -17.5623 4.48579 6.67663 158.164 -1.47109 -265.806 PRESSAVG: 4172400 -16.7833 -30.1882 11.7782 -30.1883 18.1781 1.05833 11.7782 1.05831 -13.1706 GPRESSAVG: 4172400 -16.6213 -30.893 12.8914 -30.5004 18.7798 1.28347 8.93648 0.863423 -13.844 TIMING: 4172400 CPU: 12524.9, 0.00307473/step Wall: 12524.9, 0.00307473/step, 0.706846 hours remaining, 207.890625 MB of memory in use. ENERGY: 4172400 772.5491 2064.6203 1932.3007 116.7433 -206739.6341 17985.5531 0.0000 0.0000 34196.3019 -149671.5658 298.6448 -183867.8676 -149575.6448 298.1639 -168.9142 -132.6049 558675.3869 -3.9253 -3.8952 PRESSURE: 4172600 50.9684 48.1833 -216.208 48.183 70.9593 -36.4391 -216.208 -36.4382 -7.20826 GPRESSURE: 4172600 129.215 15.6351 -187.935 95.0856 88.6184 -23.9681 -190.588 -76.2799 -22.1343 PRESSAVG: 4172600 13.2264 14.2614 -11.8144 14.2614 18.3716 40.7699 -11.8144 40.7697 17.1064 GPRESSAVG: 4172600 12.5959 15.9515 -11.8059 15.1191 18.4848 42.2064 -9.78674 38.7331 17.7803 TIMING: 4172600 CPU: 12525.5, 0.00302801/step Wall: 12525.5, 0.00302801/step, 0.695937 hours remaining, 207.890625 MB of memory in use. ENERGY: 4172600 731.1085 2087.9556 1945.9530 113.6021 -206589.2546 18005.6335 0.0000 0.0000 34129.9779 -149575.0240 298.0656 -183705.0020 -149490.4449 297.6545 38.2398 65.2329 558043.2166 16.2348 16.2870 PRESSURE: 4172800 173.853 -5.56718 64.9195 -5.5682 239.318 24.574 64.921 24.5755 -252.441 GPRESSURE: 4172800 204.525 36.5836 16.8355 -26.268 247.893 27.9301 11.5441 68.0425 -201.686 PRESSAVG: 4172800 -80.9813 -24.8892 11.7688 -24.8892 73.232 30.7858 11.7689 30.7858 3.46129 GPRESSAVG: 4172800 -81.1134 -25.4233 10.402 -26.0846 73.7332 30.6471 11.1604 32.9996 3.42147 TIMING: 4172800 CPU: 12526.1, 0.00306198/step Wall: 12526.1, 0.00306198/step, 0.703576 hours remaining, 207.890625 MB of memory in use. ENERGY: 4172800 757.3351 2120.3784 1942.7904 108.4430 -206290.3031 17924.6096 0.0000 0.0000 34105.5168 -149331.2299 297.8520 -183436.7466 -149242.1350 298.5704 53.5766 83.5771 558575.9427 -1.4293 -1.3196 PRESSURE: 4173000 150.34 31.4501 -73.7547 31.45 -91.1115 -167.787 -73.7545 -167.785 181.965 GPRESSURE: 4173000 141.81 28.0377 -44.4948 24.5014 -4.48535 -233.962 -59.8806 -165.913 206.402 PRESSAVG: 4173000 -9.06161 8.59166 4.85101 8.5916 44.6457 35.2806 4.85104 35.2807 -8.34815 GPRESSAVG: 4173000 -8.17902 7.55253 5.22893 11.803 44.2864 34.0145 6.89095 36.4469 -9.05653 TIMING: 4173000 CPU: 12526.7, 0.00305469/step Wall: 12526.7, 0.00305469/step, 0.701731 hours remaining, 207.890625 MB of memory in use. ENERGY: 4173000 747.1305 2010.4172 1973.1778 105.9248 -206708.2418 18111.0632 0.0000 0.0000 34465.0764 -149295.4519 300.9921 -183760.5283 -149207.3789 299.9446 80.3979 114.5754 556893.9858 9.0786 9.0169 PRESSURE: 4173200 -161.686 -53.1206 172.911 -53.1202 -231.651 -177.265 172.911 -177.265 -251.509 GPRESSURE: 4173200 -187.895 -67.9436 141.58 -50.1137 -169.319 -229.852 209.057 -113.467 -189.947 PRESSAVG: 4173200 62.4595 -11.4348 19.0894 -11.4348 9.03547 -17.8888 19.0894 -17.8888 -50.5573 GPRESSAVG: 4173200 62.1763 -10.1574 20.768 -12.5432 8.81711 -17.1494 16.5947 -17.5547 -50.0265 TIMING: 4173200 CPU: 12527.3, 0.00305128/step Wall: 12527.3, 0.00305128/step, 0.700777 hours remaining, 207.890625 MB of memory in use. ENERGY: 4173200 773.2363 2075.0145 1937.4585 120.9710 -205871.6862 17529.2529 0.0000 0.0000 34285.4166 -149150.3365 299.4231 -183435.7530 -149059.9325 299.9528 -214.9485 -182.3869 557927.1968 6.9792 6.9889 PRESSURE: 4173400 -99.8422 -13.41 198.738 -13.4109 188.082 105.769 198.738 105.769 -198.846 GPRESSURE: 4173400 -89.8799 12.9406 254.35 67.3199 219.993 90.189 128.904 121.029 -146.674 PRESSAVG: 4173400 -26.4165 12.9265 51.2819 12.9264 8.51637 -41.3772 51.2818 -41.3774 -7.20704 GPRESSAVG: 4173400 -26.8517 12.7366 50.2075 14.5288 9.19798 -43.2761 51.9091 -41.9161 -7.62111 TIMING: 4173400 CPU: 12527.9, 0.00304264/step Wall: 12527.9, 0.00304264/step, 0.698625 hours remaining, 207.890625 MB of memory in use. ENERGY: 4173400 747.5500 2058.6909 1937.0592 119.7735 -206180.7421 17795.9672 0.0000 0.0000 34389.4448 -149132.2565 300.3316 -183521.7013 -149038.6970 299.4536 -36.8688 -5.5203 556513.8866 -8.3690 -8.4249 PRESSURE: 4173600 68.2165 -12.3448 27.1307 -12.3461 17.9102 -27.0048 27.1317 -27.0046 -187.279 GPRESSURE: 4173600 53.4491 -71.6605 69.8306 26.8827 37.8833 -39.4475 -95.4452 17.9549 -84.7355 PRESSAVG: 4173600 28.0887 -41.4026 34.0356 -41.4025 -9.19655 -49.9759 34.0358 -49.9758 -28.3245 GPRESSAVG: 4173600 28.2436 -42.111 34.5098 -42.5193 -8.408 -48.1649 34.5772 -47.7561 -29.0718 TIMING: 4173600 CPU: 12528.5, 0.00306807/step Wall: 12528.5, 0.00306807/step, 0.704294 hours remaining, 207.890625 MB of memory in use. ENERGY: 4173600 716.0870 2087.2999 1949.2622 111.1314 -206134.9017 17791.0955 0.0000 0.0000 34243.8581 -149236.1676 299.0601 -183480.0256 -149143.5966 299.5245 -33.7175 2.1990 557738.1019 -3.1441 -3.0788 PRESSURE: 4173800 -93.1833 70.1603 -0.652549 70.1599 49.9342 -31.0688 -0.652367 -31.0688 -51.0349 GPRESSURE: 4173800 -66.6576 -12.9769 3.51385 68.2074 79.7454 7.59147 72.7033 -77.5628 -11.6116 PRESSAVG: 4173800 66.3772 5.12679 -18.5336 5.12683 -49.6591 59.623 -18.5336 59.623 -34.4533 GPRESSAVG: 4173800 67.0731 4.94333 -18.8705 6.4473 -49.7799 58.4495 -18.8872 56.9607 -35.3212 TIMING: 4173800 CPU: 12529.1, 0.0030554/step Wall: 12529.1, 0.0030554/step, 0.701215 hours remaining, 207.890625 MB of memory in use. ENERGY: 4173800 730.9615 2119.5771 1947.9141 100.7096 -206278.6570 17788.4335 0.0000 0.0000 34270.1808 -149320.8805 299.2900 -183591.0613 -149226.3402 299.2218 -31.4280 0.4921 558098.6280 -5.9118 -6.0094 PRESSURE: 4174000 9.22766 73.5725 -142.289 73.572 21.1401 -101.84 -142.289 -101.839 -79.9148 GPRESSURE: 4174000 30.7144 61.0058 -86.6011 59.7053 42.4241 -50.2496 -81.2489 -126.274 -16.445 PRESSAVG: 4174000 -40.8389 -7.53564 -58.6557 -7.53564 -13.6878 43.3083 -58.6556 43.3083 16.6039 GPRESSAVG: 4174000 -42.388 -8.55082 -58.0565 -8.37758 -13.8079 43.6643 -58.6425 44.6068 17.5668 TIMING: 4174000 CPU: 12529.7, 0.00309481/step Wall: 12529.7, 0.00309481/step, 0.710086 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: 4174000 742.9148 2046.9875 1940.8491 106.2666 -205882.9214 17602.3573 0.0000 0.0000 34087.6075 -149355.9386 297.6956 -183443.5461 -149256.3290 298.8147 -16.5157 18.8978 556680.9526 -12.6409 -12.8764 PRESSURE: 4174200 -119.442 13.3303 -35.1157 13.3289 159.205 -92.0218 -35.117 -92.0213 -118.118 GPRESSURE: 4174200 -144.429 -66.9217 -8.7796 36.0157 201.252 -93.7898 9.57379 -79.5096 -40.7767 PRESSAVG: 4174200 -39.8557 -7.97748 -12.68 -7.97745 81.2799 -48.4389 -12.6799 -48.4388 -17.6152 GPRESSAVG: 4174200 -40.2743 -6.11451 -13.1075 -7.98351 82.0023 -46.981 -12.7505 -48.4899 -17.8562 TIMING: 4174200 CPU: 12530.4, 0.00308461/step Wall: 12530.4, 0.00308461/step, 0.707575 hours remaining, 207.890625 MB of memory in use. ENERGY: 4174200 776.3580 2123.1760 1940.8920 124.8221 -206064.6680 17755.8479 0.0000 0.0000 34121.8514 -149221.7206 297.9946 -183343.5720 -149126.2944 299.2091 -26.1182 5.3488 558195.3155 7.9363 7.9573 PRESSURE: 4174400 -86.7498 -89.6433 -68.4508 -89.6418 5.49933 -142.056 -68.451 -142.057 115.857 GPRESSURE: 4174400 -16.1023 -54.2688 -150.669 -91.4156 28.8533 -251.757 -38.723 -102.421 115.389 PRESSAVG: 4174400 -19.2919 -83.6282 -49.8432 -83.6282 -26.7928 -31.9926 -49.8431 -31.9924 25.2646 GPRESSAVG: 4174400 -19.2371 -84.1398 -51.1598 -85.4722 -27.0962 -33.6344 -50.6476 -32.9546 25.1048 TIMING: 4174400 CPU: 12531, 0.0030684/step Wall: 12531, 0.0030684/step, 0.703687 hours remaining, 207.890625 MB of memory in use. ENERGY: 4174400 752.2122 2148.4266 1934.5943 108.3221 -206281.2548 17739.1832 0.0000 0.0000 34276.3294 -149322.1869 299.3437 -183598.5163 -149234.9769 299.1150 11.5354 42.7134 555507.8989 -6.9400 -7.0762 PRESSURE: 4174600 -139.449 -23.0917 39.6772 -23.0909 -249.992 -121.097 39.6769 -121.097 -43.6952 GPRESSURE: 4174600 -90.9523 16.0576 21.1044 60.0934 -235.126 -166.543 75.8171 -78.0501 -11.3036 PRESSAVG: 4174600 2.62138 -34.6781 -1.83994 -34.6781 -111.535 -26.3124 -1.83993 -26.3125 64.665 GPRESSAVG: 4174600 1.8983 -36.0941 -0.47252 -30.37 -111.469 -24.3711 -2.01106 -27.2607 65.8356 TIMING: 4174600 CPU: 12531.6, 0.0030453/step Wall: 12531.6, 0.0030453/step, 0.698219 hours remaining, 207.890625 MB of memory in use. ENERGY: 4174600 778.1356 2090.2096 1934.2511 131.6127 -206237.1870 17731.0889 0.0000 0.0000 34360.9637 -149210.9255 300.0828 -183571.8892 -149114.3332 299.4855 -144.3789 -112.4607 557614.6178 -14.7494 -14.5782 PRESSURE: 4174800 -41.5842 45.064 45.1667 45.0653 -125.198 140.484 45.1674 140.484 108.614 GPRESSURE: 4174800 -26.7999 79.7357 -0.508724 54.5011 -90.8813 63.8139 91.3962 168.048 156.786 PRESSAVG: 4174800 -12.5168 -29.7135 46.7789 -29.7135 -52.5426 39.8432 46.7788 39.8432 38.7522 GPRESSAVG: 4174800 -12.8659 -27.9131 45.5665 -34.5955 -52.0834 38.4424 48.3175 41.5301 38.4975 TIMING: 4174800 CPU: 12532.2, 0.00305033/step Wall: 12532.2, 0.00305033/step, 0.699204 hours remaining, 207.890625 MB of memory in use. ENERGY: 4174800 788.6062 2046.9944 1945.1400 107.4270 -206273.1381 17874.8208 0.0000 0.0000 34195.3536 -149314.7961 298.6365 -183510.1497 -149217.4603 300.2915 -19.3893 13.0349 556353.3417 -8.7691 -8.8173 PRESSURE: 4175000 -76.3399 229.794 35.0953 229.792 -99.8191 -83.3768 35.0943 -83.3766 -38.6684 GPRESSURE: 4175000 -124.736 147.703 63.4773 242.287 -21.4809 -71.4862 27.0818 -110.048 25.8311 PRESSAVG: 4175000 12.1554 16.1245 12.2068 16.1245 -29.8173 -8.84042 12.2068 -8.84035 20.9303 GPRESSAVG: 4175000 13.7456 14.4898 10.9756 21.237 -30.8828 -8.68737 11.2273 -9.22311 21.0559 TIMING: 4175000 CPU: 12532.8, 0.00307318/step Wall: 12532.8, 0.00307318/step, 0.704269 hours remaining, 207.890625 MB of memory in use. ENERGY: 4175000 769.3005 2017.8740 1933.1608 110.4277 -206347.6734 17768.9481 0.0000 0.0000 34222.8762 -149525.0862 298.8769 -183747.9624 -149421.8081 298.9113 -71.6091 -40.1287 556704.1187 1.0895 1.3062 PRESSURE: 4175200 -148.405 -112.843 9.53607 -112.844 -85.3344 -38.1903 9.5369 -38.19 84.0364 GPRESSURE: 4175200 -100.053 -131.853 79.1537 -163.634 -12.5331 -65.8037 -40.9844 -20.9558 52.4257 PRESSAVG: 4175200 13.0756 15.4369 -41.0865 15.4368 -24.141 -9.44542 -41.0866 -9.44531 18.6097 GPRESSAVG: 4175200 12.4345 15.6289 -39.2527 11.768 -23.2787 -8.50981 -39.4639 -8.45339 18.1873 TIMING: 4175200 CPU: 12533.4, 0.00306324/step Wall: 12533.4, 0.00306324/step, 0.701822 hours remaining, 207.890625 MB of memory in use. ENERGY: 4175200 716.2046 2029.2181 1932.0268 115.2676 -205985.1248 17603.1457 0.0000 0.0000 34157.5635 -149431.6985 298.3065 -183589.2620 -149336.6073 298.4081 -49.9009 -20.0534 555443.3369 2.5147 2.4477 PRESSURE: 4175400 156.023 179.224 -37.08 179.225 -189.896 -74.2223 -37.0811 -74.2212 -75.7552 GPRESSURE: 4175400 176.606 149.034 -37.5782 211.507 -121.587 -101.248 -10.9193 -0.18354 -64.4343 PRESSAVG: 4175400 -9.64802 59.0469 -32.2739 59.047 6.87592 -39.0168 -32.2739 -39.0169 -8.76784 GPRESSAVG: 4175400 -8.79462 58.9777 -33.2434 61.8736 6.45585 -38.3443 -34.111 -40.7538 -9.34633 TIMING: 4175400 CPU: 12534, 0.00307899/step Wall: 12534, 0.00307899/step, 0.705259 hours remaining, 207.890625 MB of memory in use. ENERGY: 4175400 721.4669 2098.5240 1926.4812 110.3984 -205840.1252 17617.5403 0.0000 0.0000 33907.7431 -149457.9713 296.1248 -183365.7145 -149368.1250 298.4255 -36.5429 -3.1386 557843.5578 -3.8466 -3.8950 PRESSURE: 4175600 282.127 -66.6741 114.734 -66.675 135.283 95.0502 114.736 95.0511 6.27102 GPRESSURE: 4175600 335.351 -93.8017 109.408 13.3428 119.318 38.9711 47.07 129.692 43.3851 PRESSAVG: 4175600 -28.6322 -19.2494 68.467 -19.2494 4.81677 51.352 68.467 51.3521 23.9602 GPRESSAVG: 4175600 -28.6892 -17.9465 69.83 -19.9231 4.42996 49.0867 68.409 51.2034 24.4243 TIMING: 4175600 CPU: 12534.7, 0.00307215/step Wall: 12534.7, 0.00307215/step, 0.703523 hours remaining, 207.890625 MB of memory in use. ENERGY: 4175600 768.8467 2060.8635 1933.1134 112.5886 -206647.3724 18175.3205 0.0000 0.0000 34184.8605 -149411.7793 298.5449 -183596.6398 -149307.1941 298.0140 141.2271 166.0180 558832.3433 0.0483 0.0550 PRESSURE: 4175800 72.4839 90.4621 -15.0287 90.4621 -100.525 43.2791 -15.0299 43.278 -315.42 GPRESSURE: 4175800 46.8515 50.6219 -57.1932 101.11 -56.63 -18.7693 57.0648 76.2803 -240.684 PRESSAVG: 4175800 109.515 -14.8054 -43.1804 -14.8055 -69.7702 20.0191 -43.1804 20.0192 -35.0401 GPRESSAVG: 4175800 108.603 -14.5923 -42.4624 -16.2253 -69.9462 23.4064 -42.8253 19.1302 -33.9785 TIMING: 4175800 CPU: 12535.3, 0.00305191/step Wall: 12535.3, 0.00305191/step, 0.698718 hours remaining, 207.890625 MB of memory in use. ENERGY: 4175800 713.1646 2067.9660 1943.5841 125.9659 -205999.2520 17608.0504 0.0000 0.0000 34265.6204 -149274.9006 299.2502 -183540.5210 -149171.0229 298.8211 -114.4870 -83.4876 557525.9371 1.5681 1.5595 PRESSURE: 4176000 177.775 55.1654 -201.378 55.1654 145.044 -136.073 -201.378 -136.072 -218.698 GPRESSURE: 4176000 246.567 75.0138 -174.757 59.2221 150.081 -115.025 -242.14 -12.5341 -202.596 PRESSAVG: 4176000 64.4178 -11.114 2.27992 -11.114 -4.10823 -5.13143 2.27988 -5.13142 -18.2668 GPRESSAVG: 4176000 64.6409 -11.5936 -0.570759 -10.5755 -2.89048 -5.71295 3.59928 -4.29257 -19.5464 TIMING: 4176000 CPU: 12535.9, 0.0030474/step Wall: 12535.9, 0.0030474/step, 0.697517 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: 4176000 732.5346 2086.9037 1938.3710 105.7504 -206399.3934 17976.4665 0.0000 0.0000 34318.7422 -149240.6250 299.7141 -183559.3672 -149143.8018 299.0751 34.7069 64.6843 557893.9366 14.0143 14.0680 PRESSURE: 4176200 116.114 19.2371 151.174 19.2369 -29.3854 41.7854 151.174 41.7855 -397.587 GPRESSURE: 4176200 196.349 14.3636 198.919 73.3671 -34.8134 52.5346 134.75 45.7844 -362.247 PRESSAVG: 4176200 28.2115 2.72636 -0.44564 2.72625 -9.68937 -20.9795 -0.445648 -20.9795 -48.7237 GPRESSAVG: 4176200 29.524 3.93377 0.849769 2.75937 -10.6444 -21.5548 -0.693315 -20.053 -49.2675 TIMING: 4176200 CPU: 12536.5, 0.00306207/step Wall: 12536.5, 0.00306207/step, 0.700703 hours remaining, 207.890625 MB of memory in use. ENERGY: 4176200 751.2727 2084.3513 1925.4932 95.9096 -205697.5886 17723.3187 0.0000 0.0000 33918.9219 -149198.3212 296.2224 -183117.2431 -149098.6970 299.0054 -103.6194 -66.9039 557321.9992 -10.0672 -10.1293 LDB: ============= START OF LOAD BALANCING ============== 12539.9 LDB: ============== END OF LOAD BALANCING =============== 12539.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12539.9 LDB: ============= START OF LOAD BALANCING ============== 12540.2 LDB: Largest compute 4820 load 0.024708 is 20.9% of average load 0.118102 LDB: Average compute 0.001711 is 1.4% of average load 0.118102 LDB: TIME 12540.2 LOAD: AVG 0.118102 MAX 0.224443 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.562 MB LDB: TIME 12540.2 LOAD: AVG 0.118102 MAX 0.224443 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.766 MB LDB: TIME 12540.2 LOAD: AVG 0.118102 MAX 0.224443 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12540.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12540.2 PRESSURE: 4176400 -54.348 -50.1996 5.21041 -50.1997 -59.4704 -70.8525 5.213 -70.8547 -358.062 GPRESSURE: 4176400 -28.5239 -70.7168 75.0923 -77.3613 8.39394 -87.3656 14.0144 -15.578 -348.565 PRESSAVG: 4176400 57.9455 -29.0766 -9.26825 -29.0765 -1.23141 -32.3638 -9.26829 -32.364 -49.592 GPRESSAVG: 4176400 57.0177 -29.7361 -9.07065 -28.1316 -1.05927 -34.2221 -7.96665 -31.9237 -47.9163 TIMING: 4176400 CPU: 12537.1, 0.00311547/step Wall: 12537.1, 0.00311547/step, 0.71275 hours remaining, 209.125000 MB of memory in use. ENERGY: 4176400 744.4928 2096.1681 1915.1847 104.9971 -206276.8146 17664.6360 0.0000 0.0000 34670.7753 -149080.5605 302.7885 -183751.3358 -148982.4803 299.5472 -157.2933 -122.8983 558071.6379 2.3740 2.6807 PRESSURE: 4176600 -178.412 13.1627 60.342 13.1629 -226.076 20.509 60.343 20.5099 -83.2616 GPRESSURE: 4176600 -144.181 -9.43749 -43.0974 57.5701 -119.485 -69.6248 85.5809 62.4103 -123.057 PRESSAVG: 4176600 23.1965 -60.5264 -3.67984 -60.5264 60.9372 31.4022 -3.67994 31.4022 -102.112 GPRESSAVG: 4176600 23.374 -61.859 -5.47075 -61.4197 61.5891 30.0529 -5.046 31.4745 -102.933 TIMING: 4176600 CPU: 12537.7, 0.00303227/step Wall: 12537.7, 0.00303227/step, 0.693549 hours remaining, 209.125000 MB of memory in use. ENERGY: 4176600 754.0135 2035.1299 1937.8645 121.3946 -205712.2016 17493.8311 0.0000 0.0000 34270.4454 -149099.5226 299.2923 -183369.9680 -148997.1373 300.1912 -162.5830 -128.9077 556915.9053 -5.9927 -5.9899 PRESSURE: 4176800 -97.1811 23.1568 -12.3537 23.156 -197.77 -21.0155 -12.3537 -21.0179 33.1307 GPRESSURE: 4176800 -60.0651 -68.1941 -33.0391 38.3857 -170.979 -6.89668 8.95916 -25.9222 75.5743 PRESSAVG: 4176800 18.4979 -68.5365 -49.3566 -68.5365 77.4098 26.8543 -49.3566 26.8543 -43.5202 GPRESSAVG: 4176800 18.8331 -67.774 -49.0328 -68.6396 75.9527 29.1119 -50.9696 26.6233 -42.9588 TIMING: 4176800 CPU: 12538.3, 0.00304528/step Wall: 12538.3, 0.00304528/step, 0.696355 hours remaining, 209.125000 MB of memory in use. ENERGY: 4176800 779.7158 2125.9529 1934.8255 116.2682 -206055.5052 17778.3337 0.0000 0.0000 34303.4166 -149016.9925 299.5803 -183320.4091 -148921.0715 299.9978 -87.2735 -51.8234 558580.9704 17.4625 17.2757 PRESSURE: 4177000 182.515 38.6834 -184.539 38.6837 -200.082 67.5543 -184.539 67.5537 131.243 GPRESSURE: 4177000 221.501 7.64533 -174.016 14.636 -173.319 62.1343 -194.882 13.4323 174.999 PRESSAVG: 4177000 26.7253 1.75404 -45.2796 1.75406 -43.4094 27.881 -45.2795 27.881 39.3042 GPRESSAVG: 4177000 27.2456 0.346379 -45.3579 1.10236 -41.9336 26.9749 -43.772 27.9047 38.001 TIMING: 4177000 CPU: 12538.9, 0.00301746/step Wall: 12538.9, 0.00301746/step, 0.689824 hours remaining, 209.125000 MB of memory in use. ENERGY: 4177000 778.3280 2024.7296 1938.1757 123.8820 -205983.3612 17773.4995 0.0000 0.0000 34332.0047 -149012.7417 299.8299 -183344.7464 -148920.7587 299.3979 37.8919 74.3939 556065.1148 7.5400 7.7710 PRESSURE: 4177200 -196.507 -38.5787 6.04035 -38.5802 -13.2572 106.521 6.04026 106.521 -27.9706 GPRESSURE: 4177200 -102.638 27.5651 -28.7527 -28.9241 -18.4786 78.9994 -40.5133 97.5407 -21.893 PRESSAVG: 4177200 5.80697 26.4731 26.5578 26.4732 -37.5832 9.84327 26.5577 9.84328 39.7987 GPRESSAVG: 4177200 4.47351 27.7527 28.7013 26.9216 -38.4845 8.93795 24.285 10.3834 41.4782 TIMING: 4177200 CPU: 12539.5, 0.0030323/step Wall: 12539.5, 0.0030323/step, 0.69305 hours remaining, 209.125000 MB of memory in use. ENERGY: 4177200 773.9634 2052.6286 1955.3571 110.1486 -205920.1369 17917.0129 0.0000 0.0000 34154.4990 -148956.5273 298.2797 -183111.0263 -148860.2265 300.3877 -79.2451 -47.6699 558715.9035 2.6741 2.4891 PRESSURE: 4177400 -10.8531 -93.8643 48.3927 -93.8639 1.74719 249.082 48.3924 249.081 124.271 GPRESSURE: 4177400 69.5734 -31.5105 23.7752 -51.8557 57.0675 256.442 -22.6766 265.282 79.4462 PRESSAVG: 4177400 62.4565 9.89471 -22.2046 9.89468 -86.2368 17.0374 -22.2045 17.0373 39.1052 GPRESSAVG: 4177400 63.5795 9.58383 -24.269 10.9727 -87.0479 15.9078 -20.6653 18.1235 38.1947 TIMING: 4177400 CPU: 12540.1, 0.00305624/step Wall: 12540.1, 0.00305624/step, 0.698351 hours remaining, 209.125000 MB of memory in use. ENERGY: 4177400 763.1882 2142.1883 1937.2805 126.2751 -206282.0297 17855.3933 0.0000 0.0000 34397.9385 -149059.7658 300.4058 -183457.7043 -148964.0334 299.8981 38.3884 68.6957 557638.1770 5.1083 4.9088 PRESSURE: 4177600 -5.56595 -21.2583 -109.798 -21.2584 -58.0813 -115.335 -109.796 -115.334 146.303 GPRESSURE: 4177600 -18.0346 -56.8058 -46.5958 24.728 -7.28271 -135.333 -102.152 -143.652 200.02 PRESSAVG: 4177600 -29.8059 -25.5669 46.7462 -25.5669 18.6453 21.0025 46.7462 21.0024 12.5691 GPRESSAVG: 4177600 -30.9613 -23.8278 47.6227 -29.1066 19.8771 21.8588 46.2016 19.2553 12.7754 TIMING: 4177600 CPU: 12540.7, 0.0029983/step Wall: 12540.7, 0.0029983/step, 0.684944 hours remaining, 209.125000 MB of memory in use. ENERGY: 4177600 763.7366 2116.8490 1918.6036 123.5293 -206040.1528 17959.0673 0.0000 0.0000 34197.0832 -148961.2839 298.6516 -183158.3671 -148868.5251 299.9997 27.5520 58.2344 559370.2072 0.4695 0.5637 PRESSURE: 4177800 42.9118 -7.70011 -125.095 -7.69903 -35.3275 129.681 -125.094 129.683 -29.7947 GPRESSURE: 4177800 62.2076 -76.8044 -83.9151 64.7549 -35.7064 95.1369 -65.2998 61.3511 42.0043 PRESSAVG: 4177800 -12.482 27.6054 8.54552 27.6053 53.6169 1.42558 8.5455 1.42563 -0.293335 GPRESSAVG: 4177800 -10.7377 26.3075 9.50126 31.9212 52.4552 1.34594 9.91039 0.540059 -0.641005 TIMING: 4177800 CPU: 12541.4, 0.0030317/step Wall: 12541.4, 0.0030317/step, 0.692406 hours remaining, 209.125000 MB of memory in use. ENERGY: 4177800 770.1750 2081.6199 1923.3207 125.1186 -206222.5281 17875.0848 0.0000 0.0000 34319.0276 -149128.1815 299.7166 -183447.2091 -149027.7478 299.9830 -7.4035 22.8352 557114.3793 13.6138 13.6922 PRESSURE: 4178000 41.8065 62.6271 -120.665 62.6282 -134.318 92.6545 -120.666 92.6536 -33.6334 GPRESSURE: 4178000 21.7598 42.0284 -114.208 106.729 -72.7401 139.962 -146.839 125.903 23.8893 PRESSAVG: 4178000 72.5952 -1.85195 23.199 -1.85183 -59.4519 -49.0272 23.199 -49.0273 -2.36093 GPRESSAVG: 4178000 71.1118 -1.41177 22.8512 -2.90408 -58.8224 -47.1062 21.7761 -49.4721 -1.34813 TIMING: 4178000 CPU: 12542, 0.00307093/step Wall: 12542, 0.00307093/step, 0.701195 hours remaining, 209.125000 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: 4178000 773.4547 2036.2275 1946.1633 108.7248 -206465.7520 17963.6087 0.0000 0.0000 34650.4994 -148987.0736 302.6114 -183637.5729 -148881.4834 299.7066 -42.0482 -9.0303 558322.1313 3.5941 3.6471 PRESSURE: 4178200 -388.49 47.9108 124.113 47.9109 -34.367 -86.8324 124.113 -86.8326 -171.441 GPRESSURE: 4178200 -300.197 -8.7163 194.751 80.6472 -59.2889 12.3885 85.7879 -149.503 -138.768 PRESSAVG: 4178200 -22.5958 -2.66409 -21.3804 -2.66419 16.3157 -16.3011 -21.3805 -16.301 -14.2314 GPRESSAVG: 4178200 -21.8761 -3.38936 -22.2835 -3.54617 15.9324 -14.784 -21.0379 -17.6538 -14.7531 TIMING: 4178200 CPU: 12542.6, 0.00306659/step Wall: 12542.6, 0.00306659/step, 0.700035 hours remaining, 209.125000 MB of memory in use. ENERGY: 4178200 760.7761 2082.5639 1948.9251 118.1379 -205783.2464 17522.9238 0.0000 0.0000 34311.4524 -149038.4672 299.6504 -183349.9196 -148945.2399 300.2927 -198.0994 -166.0849 557283.7773 -6.8372 -6.8989 PRESSURE: 4178400 -45.6401 -74.4611 -3.5318 -74.4602 255.344 -94.7229 -3.53213 -94.7212 -104.983 GPRESSURE: 4178400 -9.75803 -37.0267 32.1704 -62.9406 232.87 -161.426 -7.95765 -48.4417 -16.216 PRESSAVG: 4178400 -20.4063 -30.0566 14.9198 -30.0565 -4.43685 -27.91 14.9198 -27.9101 50.6064 GPRESSAVG: 4178400 -20.5515 -30.2389 14.8184 -28.7821 -4.32311 -27.6528 13.2373 -24.9438 51.4575 TIMING: 4178400 CPU: 12543.2, 0.00306779/step Wall: 12543.2, 0.00306779/step, 0.700138 hours remaining, 209.125000 MB of memory in use. ENERGY: 4178400 754.3178 2113.4553 1907.2356 114.4576 -206028.1880 17904.3824 0.0000 0.0000 34191.0279 -149043.3113 298.5988 -183234.3392 -148946.2053 299.6228 34.9067 68.9653 556616.2246 8.5878 8.8610 PRESSURE: 4178600 -52.2905 -49.7536 -18.3015 -49.7548 -153.967 4.31312 -18.3015 4.31545 146.77 GPRESSURE: 4178600 -62.5228 -66.6092 -1.64435 -49.8431 -125.891 22.2802 -24.7481 56.042 224.347 PRESSAVG: 4178600 16.9623 21.9512 -14.9813 21.9511 -30.2433 -22.8387 -14.9813 -22.8387 11.0122 GPRESSAVG: 4178600 17.4656 22.7907 -13.5716 19.5263 -30.161 -26.3764 -13.7469 -22.4178 10.602 TIMING: 4178600 CPU: 12543.8, 0.00304558/step Wall: 12543.8, 0.00304558/step, 0.6949 hours remaining, 209.125000 MB of memory in use. ENERGY: 4178600 754.2270 2079.6575 1938.0027 112.8204 -206121.3638 17886.7372 0.0000 0.0000 34229.5030 -149120.4160 298.9348 -183349.9190 -149021.3758 298.5528 -19.8291 11.9777 557594.1505 -0.7563 -0.6978 PRESSURE: 4178800 -209.641 -142.302 129.981 -142.302 -98.6364 -53.8366 129.981 -53.8348 260.407 GPRESSURE: 4178800 -110.358 -88.2684 90.5899 -182.334 -81.6731 -56.0185 235.063 -21.7035 244.473 PRESSAVG: 4178800 -22.279 21.2824 24.6923 21.2824 44.9846 -62.4213 24.6923 -62.4214 35.5766 GPRESSAVG: 4178800 -22.0966 21.5081 24.2773 21.592 44.5876 -61.036 25.39 -63.8914 35.5046 TIMING: 4178800 CPU: 12544.4, 0.0030359/step Wall: 12544.4, 0.0030359/step, 0.692523 hours remaining, 209.125000 MB of memory in use. ENERGY: 4178800 774.6029 2074.7983 1933.4509 123.8202 -206127.0206 17759.2469 0.0000 0.0000 34375.0552 -149086.0461 300.2059 -183461.1014 -148989.9806 299.9114 -15.9568 17.4807 557842.7072 19.4274 19.3319 PRESSURE: 4179000 -120.14 19.7215 -69.6689 19.7216 -137.346 -12.3086 -69.6677 -12.3105 -54.6015 GPRESSURE: 4179000 -154.876 11.9408 -67.8226 -41.6085 -89.7801 72.9521 -28.8534 -15.6873 33.5091 PRESSAVG: 4179000 -31.0108 -11.1306 28.1972 -11.1305 -35.6376 -6.10979 28.1972 -6.10977 57.9279 GPRESSAVG: 4179000 -30.784 -8.77805 29.544 -12.6509 -35.8532 -7.03353 27.5375 -5.99018 57.7141 TIMING: 4179000 CPU: 12545, 0.00301733/step Wall: 12545, 0.00301733/step, 0.688119 hours remaining, 209.125000 MB of memory in use. ENERGY: 4179000 772.5083 2122.0115 1948.5992 114.2198 -206097.8711 17868.9951 0.0000 0.0000 34239.1936 -149032.3436 299.0194 -183271.5372 -148929.2488 299.9880 -104.0294 -70.3822 558224.8511 -2.9068 -2.9744 PRESSURE: 4179200 -2.87531 24.9243 84.0449 24.9247 -135.433 -101.985 84.0443 -101.985 -65.1922 GPRESSURE: 4179200 45.6156 71.0113 102.446 18.5736 -122.602 -10.2523 46.7485 -141.66 -28.6878 PRESSAVG: 4179200 79.3578 -9.70647 65.4009 -9.70663 -50.692 -28.0132 65.4008 -28.0131 -28.7572 GPRESSAVG: 4179200 79.331 -10.1985 64.7261 -8.61598 -50.8294 -24.9604 63.8633 -28.6037 -28.9961 TIMING: 4179200 CPU: 12545.6, 0.00306663/step Wall: 12545.6, 0.00306663/step, 0.699192 hours remaining, 209.125000 MB of memory in use. ENERGY: 4179200 764.8862 2110.9386 1939.5903 111.2858 -206154.0916 17929.5809 0.0000 0.0000 34209.4926 -149088.3174 298.7600 -183297.8099 -148994.4757 300.1080 -67.8335 -35.2248 557936.1310 -0.0305 -0.1648 PRESSURE: 4179400 252.439 -7.4801 47.2144 -7.48002 281.165 270.186 47.2127 270.186 91.2262 GPRESSURE: 4179400 282.539 -105.441 116.31 4.77253 314.293 163.924 74.7104 294.437 132.731 PRESSAVG: 4179400 11.4817 -11.7896 14.8291 -11.7895 -42.5495 25.4864 14.8291 25.4865 32.6789 GPRESSAVG: 4179400 10.9941 -13.3879 13.5985 -12.0969 -41.7009 23.8647 17.0305 25.8357 31.8152 TIMING: 4179400 CPU: 12546.2, 0.00306424/step Wall: 12546.2, 0.00306424/step, 0.698476 hours remaining, 209.125000 MB of memory in use. ENERGY: 4179400 735.2358 2140.0542 1914.8170 114.1319 -206441.5273 18022.6692 0.0000 0.0000 34473.0189 -149041.6003 301.0614 -183514.6191 -148943.9867 299.5428 208.2766 243.1873 556957.0705 0.5370 0.3695 PRESSURE: 4179600 110.28 66.9435 15.7335 66.9444 57.6844 106.224 15.7335 106.225 2.35745 GPRESSURE: 4179600 140.246 22.8465 -18.3963 109.79 91.9083 48.6338 -28.7784 97.653 36.3002 PRESSAVG: 4179600 72.8526 2.057 52.5893 2.05705 -13.5487 43.5035 52.5893 43.5033 -20.7978 GPRESSAVG: 4179600 73.9155 0.490531 51.7851 3.41091 -14.1589 43.3018 52.2344 44.8047 -20.6477 TIMING: 4179600 CPU: 12546.8, 0.00304443/step Wall: 12546.8, 0.00304443/step, 0.693791 hours remaining, 209.125000 MB of memory in use. ENERGY: 4179600 736.0981 2089.7530 1937.9360 116.2299 -206184.2703 17940.4891 0.0000 0.0000 34278.1289 -149085.6352 299.3594 -183363.7641 -148987.4311 299.5691 56.7739 89.4849 558721.7038 12.8354 13.0363 PRESSURE: 4179800 51.824 40.4703 62.6245 40.4697 -240.189 157.99 62.6247 157.988 -154.385 GPRESSURE: 4179800 93.1895 0.509785 203.693 -24.4532 -173.643 134.584 39.5636 162.561 -168.288 PRESSAVG: 4179800 36.9815 -17.085 12.0055 -17.085 32.8446 -3.46321 12.0055 -3.46329 -41.7813 GPRESSAVG: 4179800 35.8193 -14.3547 13.6474 -16.6517 31.6865 -5.16811 10.3281 -5.6829 -39.7631 TIMING: 4179800 CPU: 12547.5, 0.0030622/step Wall: 12547.5, 0.0030622/step, 0.697672 hours remaining, 209.125000 MB of memory in use. ENERGY: 4179800 740.6943 2079.6127 1919.2383 123.0958 -206060.2618 17723.7514 0.0000 0.0000 34385.9221 -149087.9472 300.3008 -183473.8694 -148992.9297 299.5303 -114.2501 -82.9137 559266.9805 9.3482 9.2476 PRESSURE: 4180000 -357.514 -124.326 190.821 -124.326 -216.595 196.129 190.822 196.129 -206.896 GPRESSURE: 4180000 -319.762 -48.3687 244.484 -134.07 -208.447 212.651 147.928 109.701 -139.892 PRESSAVG: 4180000 32.0988 -7.05429 -9.00395 -7.0543 -15.3431 29.0198 -9.00391 29.0199 -50.1177 GPRESSAVG: 4180000 32.523 -8.42746 -9.35042 -8.44937 -13.9446 28.665 -7.61904 29.9452 -52.3604 TIMING: 4180000 CPU: 12548.1, 0.00303486/step Wall: 12548.1, 0.00303486/step, 0.691274 hours remaining, 209.125000 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: 4180000 792.6810 2065.5479 1935.9278 111.0947 -205362.3780 17204.7395 0.0000 0.0000 34281.5446 -148970.8425 299.3893 -183252.3872 -148871.9363 300.0073 -260.3350 -222.7002 558146.8813 -11.1207 -11.2607 PRESSURE: 4180200 -188.301 9.55253 200.252 9.55278 -264.405 -24.7466 200.252 -24.7462 93.4772 GPRESSURE: 4180200 -150.822 -16.9159 193.195 36.0974 -208.809 -48.2603 240.921 0.169836 97.9021 PRESSAVG: 4180200 52.6602 72.3068 4.7557 72.3068 -52.7252 24.0874 4.75567 24.0874 -1.06186 GPRESSAVG: 4180200 53.423 70.875 5.13273 72.9967 -52.8131 25.8888 5.45732 23.6965 -1.21624 TIMING: 4180200 CPU: 12548.7, 0.0030436/step Wall: 12548.7, 0.0030436/step, 0.693096 hours remaining, 209.125000 MB of memory in use. ENERGY: 4180200 749.5732 2122.5474 1951.1021 116.0624 -205987.9492 17630.0068 0.0000 0.0000 34501.0520 -148917.6053 301.3063 -183418.6574 -148820.8454 300.4481 -119.7431 -87.2430 557307.1255 -0.3756 -0.2021 LDB: ============= START OF LOAD BALANCING ============== 12552.1 LDB: ============== END OF LOAD BALANCING =============== 12552.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12552.1 LDB: ============= START OF LOAD BALANCING ============== 12552.4 LDB: Largest compute 4820 load 0.024772 is 21.0% of average load 0.118146 LDB: Average compute 0.001713 is 1.4% of average load 0.118146 LDB: TIME 12552.4 LOAD: AVG 0.118146 MAX 0.226033 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.238 MB LDB: TIME 12552.4 LOAD: AVG 0.118146 MAX 0.226033 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.309 MB LDB: TIME 12552.4 LOAD: AVG 0.118146 MAX 0.226033 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.309 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12552.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12552.4 PRESSURE: 4180400 260.567 59.635 11.4099 59.6347 19.1471 18.3736 11.411 18.3745 -91.0453 GPRESSURE: 4180400 299.941 8.55052 -65.5354 43.8954 89.0292 44.0675 19.585 67.9472 -111.276 PRESSAVG: 4180400 48.7719 4.65296 11.1755 4.6529 -17.1118 74.3419 11.1754 74.342 -48.5834 GPRESSAVG: 4180400 48.1238 6.51047 12.8094 4.4052 -17.9461 74.4147 10.2411 75.5082 -46.9572 TIMING: 4180400 CPU: 12549.3, 0.00312531/step Wall: 12549.3, 0.00312531/step, 0.711529 hours remaining, 207.617188 MB of memory in use. ENERGY: 4180400 739.3352 2117.6375 1932.9166 126.3804 -206275.7604 17877.1107 0.0000 0.0000 34456.7381 -149025.6418 300.9193 -183482.3799 -148929.1579 300.7426 62.8896 92.5648 557969.8393 -5.6411 -5.5932 PRESSURE: 4180600 79.4099 46.4812 77.0828 46.4807 100.636 -110.592 77.0834 -110.592 -155.728 GPRESSURE: 4180600 134.116 -29.9483 118.897 -10.0593 162.029 -47.349 34.0334 -115.966 -170.202 PRESSAVG: 4180600 1.39262 -32.7243 -13.8972 -32.7243 47.355 1.16505 -13.8973 1.16504 -42.8585 GPRESSAVG: 4180600 0.64385 -32.5953 -16.0966 -30.9104 48.6444 2.72548 -13.3906 -0.648595 -42.9785 TIMING: 4180600 CPU: 12549.9, 0.00301081/step Wall: 12549.9, 0.00301081/step, 0.685294 hours remaining, 207.617188 MB of memory in use. ENERGY: 4180600 725.1763 2062.7561 1948.6315 108.3440 -205870.7869 17647.7546 0.0000 0.0000 34442.2426 -148935.8818 300.7927 -183378.1244 -148833.8456 300.4188 8.1062 41.9813 556665.4949 1.9630 2.1032 PRESSURE: 4180800 395.716 -34.8282 -8.969 -34.8293 138.234 118.184 -8.96884 118.181 173.577 GPRESSURE: 4180800 401.079 -79.3481 19.4735 -101.828 121.256 21.983 118.492 103.417 292.375 PRESSAVG: 4180800 47.4027 -38.9289 -8.58891 -38.9289 -4.82829 13.8202 -8.58887 13.8202 -38.2848 GPRESSAVG: 4180800 48.416 -40.0832 -9.33121 -39.5783 -5.59441 12.3478 -7.65287 12.8389 -38.3702 TIMING: 4180800 CPU: 12550.5, 0.00303883/step Wall: 12550.5, 0.00303883/step, 0.691503 hours remaining, 207.617188 MB of memory in use. ENERGY: 4180800 731.4553 2102.2662 1934.0624 108.3353 -206045.2408 17998.7327 0.0000 0.0000 34114.5180 -149055.8709 297.9306 -183170.3889 -148960.4619 300.0458 235.8425 271.5699 555821.0545 1.4299 1.4838 PRESSURE: 4181000 245.188 55.7688 129.258 55.7699 139.448 138.776 129.257 138.776 162.838 GPRESSURE: 4181000 243.609 74.6979 50.0835 118.807 195.911 132.97 193.398 84.451 193.239 PRESSAVG: 4181000 46.6046 24.3293 35.9123 24.3292 58.0491 -0.596957 35.9123 -0.597095 -97.0116 GPRESSAVG: 4181000 46.1205 24.1782 36.1488 23.9494 58.3401 0.39084 35.4247 1.20701 -97.4072 TIMING: 4181000 CPU: 12551.1, 0.00304252/step Wall: 12551.1, 0.00304252/step, 0.692173 hours remaining, 207.617188 MB of memory in use. ENERGY: 4181000 736.6248 2056.6756 1947.8203 110.8216 -206031.4799 17830.6957 0.0000 0.0000 34235.8053 -149113.0368 298.9898 -183348.8420 -149016.2897 299.4727 182.4914 210.9197 556406.2470 2.5474 2.3511 PRESSURE: 4181200 -158.771 113.959 1.87784 113.959 -165.235 -67.2726 1.87749 -67.2723 -22.4644 GPRESSURE: 4181200 -152.074 57.7352 43.9964 65.9785 -124.756 -164.615 -39.4894 51.7612 32.0822 PRESSAVG: 4181200 45.8322 29.792 1.75783 29.7919 -8.84706 4.46571 1.75779 4.46585 -22.2922 GPRESSAVG: 4181200 44.9679 30.0663 3.56812 29.9169 -9.03285 3.45296 2.03519 5.97927 -21.4542 TIMING: 4181200 CPU: 12551.7, 0.00307784/step Wall: 12551.7, 0.00307784/step, 0.700037 hours remaining, 207.617188 MB of memory in use. ENERGY: 4181200 729.6901 2121.2057 1935.7930 111.2419 -205836.0940 17450.0798 0.0000 0.0000 34449.2937 -149038.7898 300.8543 -183488.0835 -148939.5609 299.8414 -115.4902 -81.5829 556784.7418 4.8977 4.8269 PRESSURE: 4181400 52.4325 5.65021 -50.9869 5.65111 -12.182 43.0449 -50.988 43.0445 -73.025 GPRESSURE: 4181400 5.03756 8.05842 -19.9708 26.7785 55.1098 116.674 -81.7032 46.4352 -2.51629 PRESSAVG: 4181400 -4.86809 -20.1241 -42.7762 -20.124 -12.8126 -7.57747 -42.7762 -7.57744 34.6773 GPRESSAVG: 4181400 -4.31187 -21.5261 -44.1379 -20.5413 -13.7672 -8.52544 -42.5122 -8.45347 35.2596 TIMING: 4181400 CPU: 12552.4, 0.00306938/step Wall: 12552.4, 0.00306938/step, 0.697942 hours remaining, 207.617188 MB of memory in use. ENERGY: 4181400 756.7622 2140.6878 1928.2294 128.4628 -206223.7420 17762.9644 0.0000 0.0000 34389.8217 -149116.8137 300.3349 -183506.6354 -149019.4983 300.2041 -10.9248 19.2103 557057.9231 5.6655 5.7268 PRESSURE: 4181600 -20.7525 -145.269 95.7341 -145.271 -49.4444 1.04278 95.7335 1.04445 239.152 GPRESSURE: 4181600 9.95831 -104.417 171.013 -167.379 -45.309 118.547 73.129 35.3005 310.483 PRESSAVG: 4181600 25.6202 -51.8165 -30.9772 -51.8165 -18.6441 17.7562 -30.9771 17.7561 -44.2505 GPRESSAVG: 4181600 25.7051 -51.7562 -29.8184 -49.5072 -17.7607 20.0288 -31.7192 15.1086 -45.2403 TIMING: 4181600 CPU: 12553, 0.00304052/step Wall: 12553, 0.00304052/step, 0.691212 hours remaining, 207.617188 MB of memory in use. ENERGY: 4181600 732.1630 2043.9921 1914.7972 125.7191 -206085.3513 17895.9617 0.0000 0.0000 34121.9034 -149250.8148 297.9951 -183372.7183 -149153.6578 299.0130 56.3182 91.7107 556136.9443 -12.4248 -12.4320 PRESSURE: 4181800 -301.701 105.858 -75.8252 105.857 -66.8966 39.162 -75.8247 39.1631 -117.931 GPRESSURE: 4181800 -197.189 96.4772 -64.6522 55.5813 -78.2012 -3.42016 -80.7694 56.4051 -112.069 PRESSAVG: 4181800 34.9025 -8.08406 84.1836 -8.08418 -65.111 35.6362 84.1836 35.6361 42.1523 GPRESSAVG: 4181800 35.6943 -5.77158 81.275 -10.4133 -65.9472 35.2389 85.6692 36.4251 42.1439 TIMING: 4181800 CPU: 12553.6, 0.0030509/step Wall: 12553.6, 0.0030509/step, 0.693402 hours remaining, 207.617188 MB of memory in use. ENERGY: 4181800 760.3909 2086.4333 1938.3011 104.0419 -205683.8456 17335.9626 0.0000 0.0000 34350.9725 -149107.7433 299.9956 -183458.7159 -149013.3902 299.6855 -162.1762 -129.1532 557559.7705 3.9813 3.9636 PRESSURE: 4182000 4.08436 233.587 -183.89 233.587 -31.5088 94.6705 -183.889 94.6704 -350.259 GPRESSURE: 4182000 1.95523 251.458 -169.866 275.127 -20.9671 88.2347 -181.883 92.2783 -273.478 PRESSAVG: 4182000 50.8545 77.1244 36.8586 77.1244 -1.19442 -7.96064 36.8586 -7.96069 -50.7415 GPRESSAVG: 4182000 49.6077 76.7104 38.4478 77.9242 -0.888815 -7.58248 34.67 -7.23798 -50.144 TIMING: 4182000 CPU: 12554.2, 0.00304688/step Wall: 12554.2, 0.00304688/step, 0.69232 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: 4182000 750.3866 2083.0109 1921.3030 119.5408 -205764.1265 17492.8672 0.0000 0.0000 34301.3370 -149095.6811 299.5621 -183397.0180 -148999.0579 299.9182 -125.8945 -97.4967 557556.5947 -0.3605 -0.4750 PRESSURE: 4182200 -209.804 34.2251 -61.0225 34.2241 -154.669 157.8 -61.022 157.801 43.9551 GPRESSURE: 4182200 -159.298 56.7034 -106.146 53.5609 -96.4163 120.499 34.9768 178.862 35.9993 PRESSAVG: 4182200 42.3767 63.2939 -32.4185 63.2939 59.995 33.0121 -32.4186 33.0122 -73.6001 GPRESSAVG: 4182200 43.1345 64.1794 -32.32 62.9604 60.3692 33.4737 -33.1365 31.853 -74.0449 TIMING: 4182200 CPU: 12554.8, 0.00305491/step Wall: 12554.8, 0.00305491/step, 0.693974 hours remaining, 207.617188 MB of memory in use. ENERGY: 4182200 735.5183 2070.2198 1968.5530 112.1086 -205784.8651 17513.7271 0.0000 0.0000 34365.2348 -149019.5033 300.1201 -183384.7382 -148929.9113 300.0107 -106.8395 -73.2384 556232.2693 9.5905 9.8196 PRESSURE: 4182400 -92.1607 -7.36503 134.943 -7.36661 -69.0323 46.5994 134.943 46.6002 -94.442 GPRESSURE: 4182400 -62.5997 50.6145 165.359 -27.1381 -60.3905 -2.98766 181.65 15.0422 -38.0988 PRESSAVG: 4182400 -46.3859 30.3728 24.6806 30.3727 12.6173 -0.0269253 24.6807 -0.0268611 31.8315 GPRESSAVG: 4182400 -45.7468 29.4497 23.6673 30.5406 12.3537 -0.525146 25.197 1.20235 31.0396 TIMING: 4182400 CPU: 12555.4, 0.00308863/step Wall: 12555.4, 0.00308863/step, 0.701462 hours remaining, 207.617188 MB of memory in use. ENERGY: 4182400 763.6619 2085.1646 1947.1572 90.1944 -205583.0638 17485.3317 0.0000 0.0000 34427.8078 -148783.7462 300.6666 -183211.5541 -148693.7630 300.7973 -85.2117 -53.6964 556634.0643 -0.6457 -0.7845 PRESSURE: 4182600 -85.9311 -184.367 -172.046 -184.367 -200.435 73.2553 -172.047 73.2558 63.6677 GPRESSURE: 4182600 -45.6261 -191.666 -165.523 -171.458 -208.601 -25.3501 -166.246 155.562 128.444 PRESSAVG: 4182600 11.9689 49.828 35.0006 49.828 1.91637 12.9905 35.0006 12.9905 -2.2493 GPRESSAVG: 4182600 11.1936 49.8084 36.0323 49.2147 1.8553 8.99884 36.9814 12.8849 -1.09367 TIMING: 4182600 CPU: 12556, 0.00308228/step Wall: 12556, 0.00308228/step, 0.699849 hours remaining, 207.617188 MB of memory in use. ENERGY: 4182600 760.9583 2067.0460 1932.2260 112.3538 -205704.2009 17611.0724 0.0000 0.0000 34334.8979 -148885.6464 299.8552 -183220.5443 -148797.5272 300.7159 -74.2329 -41.9275 557688.2472 3.8787 3.9851 PRESSURE: 4182800 9.79283 30.8852 145.678 30.8851 -56.1179 57.8619 145.677 57.861 -72.6658 GPRESSURE: 4182800 32.0449 -60.5655 173.188 65.0572 -65.1086 83.9551 26.9355 71.5232 1.37911 PRESSAVG: 4182800 11.5152 1.28236 -17.2947 1.28238 -16.2984 -7.47695 -17.2946 -7.47694 -31.0425 GPRESSAVG: 4182800 10.6494 1.81754 -16.5046 1.1541 -14.9023 -4.46531 -19.0848 -5.98888 -31.6169 TIMING: 4182800 CPU: 12556.6, 0.00307703/step Wall: 12556.6, 0.00307703/step, 0.698487 hours remaining, 207.617188 MB of memory in use. ENERGY: 4182800 771.4865 2055.4478 1914.2619 117.3302 -205714.6196 17664.3404 0.0000 0.0000 34587.0746 -148604.6783 302.0575 -183191.7529 -148515.5306 300.5875 -39.6636 -10.5615 557645.6778 -11.9419 -11.9566 PRESSURE: 4183000 209.835 -10.8524 -118.675 -10.8515 84.7917 87.502 -118.675 87.5023 -79.2126 GPRESSURE: 4183000 232.786 -10.4725 -113.999 -10.015 116.425 77.5608 -97.3435 19.2285 -37.8661 PRESSAVG: 4183000 37.0124 12.1253 -31.5663 12.1252 52.0137 26.6028 -31.5663 26.6027 -43.0147 GPRESSAVG: 4183000 38.6293 9.27316 -33.311 13.1629 50.4467 24.6201 -30.4295 26.1804 -43.3636 TIMING: 4183000 CPU: 12557.3, 0.0030973/step Wall: 12557.3, 0.0030973/step, 0.702914 hours remaining, 207.617188 MB of memory in use. ENERGY: 4183000 770.1392 2087.7422 1942.5262 113.7818 -205869.0100 17893.9940 0.0000 0.0000 34366.4815 -148694.3451 300.1310 -183060.8266 -148602.0611 300.6538 71.8046 103.7815 557381.1753 15.3371 15.2375 PRESSURE: 4183200 146.752 -162.45 -90.9138 -162.451 -56.9701 46.3809 -90.9144 46.3814 159.515 GPRESSURE: 4183200 142.452 -103.622 39.9359 -117.12 23.5389 82.1993 -67.9847 54.6253 184.513 PRESSAVG: 4183200 54.1131 -33.7102 9.36856 -33.7101 -49.4735 -42.5842 9.36857 -42.5842 22.7115 GPRESSAVG: 4183200 53.518 -31.2588 10.7023 -33.644 -49.3887 -39.9023 8.75584 -43.367 23.313 TIMING: 4183200 CPU: 12557.9, 0.0030827/step Wall: 12557.9, 0.0030827/step, 0.699431 hours remaining, 207.617188 MB of memory in use. ENERGY: 4183200 733.0015 2088.6453 1927.2610 112.6269 -206313.9825 17978.4081 0.0000 0.0000 34574.2980 -148899.7419 301.9459 -183474.0399 -148786.9508 300.3275 83.0988 116.8346 557445.4718 9.1170 9.1474 PRESSURE: 4183400 225.521 -14.4959 -4.02897 -14.497 -35.1625 -76.334 -4.02948 -76.3358 163.789 GPRESSURE: 4183400 243.041 26.3369 37.4614 -28.9451 33.3939 -27.5253 -119.734 -89.1792 170.68 PRESSAVG: 4183400 -45.1045 32.5846 30.2716 32.5845 48.2223 12.1188 30.2715 12.1188 12.2779 GPRESSAVG: 4183400 -46.0963 32.3481 30.4419 31.0285 48.6368 11.3985 30.2922 14.0908 12.5877 TIMING: 4183400 CPU: 12558.5, 0.00310587/step Wall: 12558.5, 0.00310587/step, 0.704514 hours remaining, 207.617188 MB of memory in use. ENERGY: 4183400 757.4011 2078.7135 1898.2256 107.5889 -206055.4770 17957.5728 0.0000 0.0000 34433.2065 -148822.7686 300.7138 -183255.9752 -148724.0764 300.9445 118.0493 149.0384 558020.5092 5.1319 5.0427 PRESSURE: 4183600 -93.9647 57.142 148.408 57.1417 -113.029 122.313 148.408 122.314 -87.8586 GPRESSURE: 4183600 -29.6901 72.7481 167.319 49.2858 -76.1028 58.8713 197.538 52.2362 -96.5726 PRESSAVG: 4183600 -25.3806 -1.14707 5.91025 -1.14704 -1.09681 -40.075 5.91036 -40.0751 48.5328 GPRESSAVG: 4183600 -25.0889 -2.3579 4.70663 -1.07735 -1.10128 -41.2076 7.71752 -40.4243 48.6722 TIMING: 4183600 CPU: 12559.1, 0.00310354/step Wall: 12559.1, 0.00310354/step, 0.703815 hours remaining, 207.617188 MB of memory in use. ENERGY: 4183600 792.8890 2159.8908 1948.6289 133.7697 -205871.3099 17520.0529 0.0000 0.0000 34502.3184 -148813.7602 301.3173 -183316.0786 -148720.9073 300.3203 -98.2842 -67.4552 555792.9248 7.3518 7.4940 PRESSURE: 4183800 135.963 182.056 -42.7287 182.054 -114.65 29.117 -42.7281 29.1169 -110.277 GPRESSURE: 4183800 115.364 146.405 -46.0328 164.104 -40.7016 14.8255 -15.4113 25.3547 -73.4037 PRESSAVG: 4183800 -24.5562 38.9429 27.0715 38.9429 20.6123 18.3063 27.0715 18.3064 32.8824 GPRESSAVG: 4183800 -23.5316 38.9869 28.1359 38.1116 19.0403 17.6053 25.5626 17.4654 32.8241 TIMING: 4183800 CPU: 12559.7, 0.00309438/step Wall: 12559.7, 0.00309438/step, 0.701564 hours remaining, 207.617188 MB of memory in use. ENERGY: 4183800 796.9104 2099.4055 1945.7397 106.2761 -206135.5678 17847.0076 0.0000 0.0000 34324.9598 -149015.2687 299.7684 -183340.2285 -148924.9502 300.1133 -29.6547 0.4196 556635.3643 9.6462 9.4443 PRESSURE: 4184000 -402.262 -94.2059 -78.6342 -94.2059 -125.918 58.6116 -78.6352 58.6114 -23.3671 GPRESSURE: 4184000 -353.509 -55.8027 -66.5001 -43.7087 -138.051 119.266 -92.4941 9.04311 36.1691 PRESSAVG: 4184000 36.6533 12.9168 28.9626 12.9167 -23.8816 -20.7955 28.9626 -20.7955 12.6859 GPRESSAVG: 4184000 37.2636 11.8828 29.4059 16.0577 -23.7855 -19.4607 28.3371 -21.1015 12.0369 TIMING: 4184000 CPU: 12560.4, 0.00308546/step Wall: 12560.4, 0.00308546/step, 0.699371 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: 4184000 752.1582 2117.3641 1954.4089 120.9711 -206167.3855 17580.5771 0.0000 0.0000 34419.7629 -149222.1431 300.5964 -183641.9061 -149125.6128 299.7974 -183.8491 -151.7970 557454.3372 8.4859 8.5050 PRESSURE: 4184200 207.004 -10.7656 -27.438 -10.7655 284.741 -1.19593 -27.4388 -1.1939 43.1231 GPRESSURE: 4184200 187.728 69.0848 59.0771 -112.234 281.147 -32.9226 -64.3212 93.5946 161.041 PRESSAVG: 4184200 -25.2333 -6.15825 -14.9765 -6.15829 31.3999 -56.9871 -14.9765 -56.9871 28.1142 GPRESSAVG: 4184200 -26.4152 -6.20325 -16.36 -7.79676 33.2639 -56.2627 -12.8883 -55.8862 27.3903 TIMING: 4184200 CPU: 12561, 0.0030323/step Wall: 12561, 0.0030323/step, 0.687154 hours remaining, 207.617188 MB of memory in use. ENERGY: 4184200 748.2935 2059.4710 1916.8705 108.3031 -206466.8968 18052.7263 0.0000 0.0000 34383.8195 -149197.4129 300.2824 -183581.2324 -149092.3745 299.2981 178.2892 209.9719 556824.2780 11.4269 11.4130 LDB: ============= START OF LOAD BALANCING ============== 12564.4 LDB: ============== END OF LOAD BALANCING =============== 12564.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12564.4 LDB: ============= START OF LOAD BALANCING ============== 12564.7 LDB: Largest compute 4822 load 0.023976 is 20.3% of average load 0.118067 LDB: Average compute 0.001715 is 1.5% of average load 0.118067 LDB: TIME 12564.7 LOAD: AVG 0.118067 MAX 0.221227 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.227 MB LDB: TIME 12564.7 LOAD: AVG 0.118067 MAX 0.221227 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.434 MB LDB: TIME 12564.7 LOAD: AVG 0.118067 MAX 0.221227 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.434 MB LDB: ============== END OF LOAD BALANCING =============== 12564.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12564.7 PRESSURE: 4184400 -182.203 12.5433 46.2718 12.5424 15.2671 41.6347 46.2724 41.637 -2.59709 GPRESSURE: 4184400 -95.397 -36.8842 71.3378 -0.669245 -11.5975 53.5256 38.7225 15.5945 19.4485 PRESSAVG: 4184400 1.78274 -27.1084 -1.57339 -27.1083 -1.38723 -41.6221 -1.57341 -41.6221 -4.31556 GPRESSAVG: 4184400 2.67789 -25.132 -1.51828 -27.216 -3.54664 -42.0343 -1.59089 -41.732 -3.35482 TIMING: 4184400 CPU: 12561.6, 0.00311452/step Wall: 12561.6, 0.00311452/step, 0.705611 hours remaining, 207.003906 MB of memory in use. ENERGY: 4184400 773.4161 2101.7932 1930.8632 103.4360 -206288.9730 17718.4307 0.0000 0.0000 34415.7953 -149245.2385 300.5617 -183661.0338 -149147.8064 299.5821 -56.5110 -29.1820 556065.3379 -1.3067 -1.4079 PRESSURE: 4184600 -54.7951 91.0476 -128.883 91.0475 142.79 -110.115 -128.883 -110.114 -364.542 GPRESSURE: 4184600 -19.9397 37.4848 -98.9378 64.4278 136.773 -121.396 -176.386 -127.344 -296.394 PRESSAVG: 4184600 -66.9306 30.6109 -68.3137 30.6108 4.65194 -20.8515 -68.3137 -20.8516 77.5973 GPRESSAVG: 4184600 -67.4857 29.2185 -67.936 30.4333 5.74794 -21.9723 -70.0253 -20.5773 76.5512 TIMING: 4184600 CPU: 12562.2, 0.00307811/step Wall: 12562.2, 0.00307811/step, 0.697192 hours remaining, 207.203125 MB of memory in use. ENERGY: 4184600 743.6175 2067.3487 1936.8073 126.2695 -206204.4292 17743.9673 0.0000 0.0000 34264.7409 -149321.6779 299.2425 -183586.4188 -149221.5121 298.5590 -92.1824 -59.8535 557568.9746 5.1062 4.9378 PRESSURE: 4184800 99.4916 29.9076 -153.113 29.9089 -38.0843 -123.492 -153.113 -123.491 -229.002 GPRESSURE: 4184800 161.62 36.0596 -165.793 2.32126 50.2684 -23.8206 -148.248 -143.779 -289.933 PRESSAVG: 4184800 54.8965 0.445449 11.613 0.445459 -68.3734 -5.20612 11.6131 -5.20602 7.86209 GPRESSAVG: 4184800 52.319 -1.12858 10.3381 2.5438 -67.6575 -3.75771 13.5839 -7.1495 8.95191 TIMING: 4184800 CPU: 12562.8, 0.00308064/step Wall: 12562.8, 0.00308064/step, 0.697595 hours remaining, 207.203125 MB of memory in use. ENERGY: 4184800 705.6428 2091.7043 1915.6141 124.8532 -206002.6587 17627.9936 0.0000 0.0000 34193.7967 -149343.0540 298.6229 -183536.8507 -149246.4261 298.8703 -55.8649 -26.0147 558062.9388 -1.8716 -2.1289 PRESSURE: 4185000 -29.5965 -85.3379 -49.1176 -85.3379 167.943 -204.688 -49.1187 -204.689 187.276 GPRESSURE: 4185000 -13.7033 -62.9362 8.12707 -122.76 229.893 -181.031 -86.3222 -249.3 202.676 PRESSAVG: 4185000 3.80371 -21.1326 -1.28022 -21.1326 -29.9234 -8.00723 -1.28031 -8.00726 -6.23421 GPRESSAVG: 4185000 5.61916 -19.1141 1.49242 -24.61 -30.631 -9.84956 -3.93195 -6.51745 -7.85388 TIMING: 4185000 CPU: 12563.4, 0.00307594/step Wall: 12563.4, 0.00307594/step, 0.696358 hours remaining, 207.203125 MB of memory in use. ENERGY: 4185000 742.9044 2028.0573 1908.6055 118.9984 -206221.6123 18027.9105 0.0000 0.0000 34028.6810 -149366.4551 297.1809 -183395.1361 -149263.0750 299.0158 108.5410 139.6219 557934.2050 -10.7846 -10.9552 PRESSURE: 4185200 -38.0452 155.061 76.8108 155.062 30.0302 -170.95 76.8111 -170.95 42.6569 GPRESSURE: 4185200 -7.32412 171.837 50.6422 145.982 74.3488 -132.879 194.372 -241.317 61.7887 PRESSAVG: 4185200 16.1016 0.161327 16.46 0.161316 25.7289 -44.6915 16.4601 -44.6915 -9.04229 GPRESSAVG: 4185200 16.409 0.158429 14.6553 0.302593 24.9432 -42.9582 16.9642 -46.6631 -8.14645 TIMING: 4185200 CPU: 12564, 0.00304643/step Wall: 12564, 0.00304643/step, 0.689508 hours remaining, 207.203125 MB of memory in use. ENERGY: 4185200 742.8127 2076.8650 1939.9516 128.6204 -206005.3409 17666.4439 0.0000 0.0000 34166.4561 -149284.1911 298.3842 -183450.6472 -149186.3546 298.5867 11.5473 42.9378 556568.9422 10.9294 11.0686 PRESSURE: 4185400 6.93001 -207.312 78.3747 -207.312 -80.9539 77.6541 78.3743 77.6553 -48.7951 GPRESSURE: 4185400 -12.4762 -174.008 -13.159 -108.16 -26.696 154.006 180.757 23.9889 23.0672 PRESSAVG: 4185400 36.9883 -21.5799 29.4052 -21.5799 -26.9471 -4.76032 29.4052 -4.76038 -0.376286 GPRESSAVG: 4185400 37.0212 -22.6894 27.4325 -19.6559 -26.1029 -6.27554 33.1302 -1.654 -0.729754 TIMING: 4185400 CPU: 12564.7, 0.00306493/step Wall: 12564.7, 0.00306493/step, 0.693526 hours remaining, 207.203125 MB of memory in use. ENERGY: 4185400 751.2452 2065.6095 1931.6944 112.8743 -206109.7977 17699.3969 0.0000 0.0000 34123.7465 -149425.2310 298.0112 -183548.9775 -149330.8021 298.7362 -40.9397 -5.3683 556314.1234 3.2216 3.3962 PRESSURE: 4185600 -73.0711 -16.5335 158.899 -16.5335 244.183 -95.6326 158.899 -95.6329 -258.841 GPRESSURE: 4185600 14.396 -12.6269 85.6212 13.7196 242.503 -121.882 143.37 -115.889 -233.205 PRESSAVG: 4185600 -86.0651 14.1245 -14.6613 14.1246 30.5543 28.2526 -14.6613 28.2526 52.4648 GPRESSAVG: 4185600 -86.6929 15.1867 -12.917 13.7945 29.3757 28.0632 -18.5534 27.3679 53.3527 TIMING: 4185600 CPU: 12565.3, 0.00304773/step Wall: 12565.3, 0.00304773/step, 0.689464 hours remaining, 207.203125 MB of memory in use. ENERGY: 4185600 771.6630 2066.1776 1955.3103 107.6204 -206247.1532 17841.8036 0.0000 0.0000 34209.0335 -149295.5448 298.7560 -183504.5783 -149198.5145 299.1117 -29.2430 7.8982 558353.3294 -1.0153 -1.3215 PRESSURE: 4185800 72.0112 79.2581 29.7096 79.2578 237.396 -65.4434 29.7102 -65.4434 22.7919 GPRESSURE: 4185800 81.4793 93.4951 -11.982 148.664 294.809 -29.3774 66.9246 -37.9849 48.9343 PRESSAVG: 4185800 -4.25666 36.8701 0.574483 36.8701 -30.4589 -39.8303 0.574423 -39.8304 35.7507 GPRESSAVG: 4185800 -3.72074 36.3452 0.583093 38.0197 -29.9305 -39.316 1.25953 -40.7353 34.2135 TIMING: 4185800 CPU: 12565.9, 0.00305864/step Wall: 12565.9, 0.00305864/step, 0.691763 hours remaining, 207.203125 MB of memory in use. ENERGY: 4185800 706.8127 2086.9464 1933.8468 104.4087 -206254.9483 17913.4977 0.0000 0.0000 34204.9553 -149304.4807 298.7204 -183509.4360 -149211.1775 299.1918 110.7330 141.7409 557193.2486 0.3450 0.1874 PRESSURE: 4186000 164.683 160.76 -12.8812 160.76 187.591 294.528 -12.8819 294.527 -78.0005 GPRESSURE: 4186000 175.901 154.201 -34.3987 132.698 232.665 216.721 -2.13562 269.221 -22.9071 PRESSAVG: 4186000 73.6155 47.6712 -1.87485 47.6713 -45.184 54.2968 -1.87487 54.2969 -33.6407 GPRESSAVG: 4186000 74.5033 46.5754 -3.45483 47.0504 -46.9301 53.7081 -0.341402 54.4844 -32.7744 TIMING: 4186000 CPU: 12566.5, 0.00308627/step Wall: 12566.5, 0.00308627/step, 0.69784 hours remaining, 207.203125 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: 4186000 739.3019 2072.4081 1931.6756 100.6249 -206579.4320 18148.7708 0.0000 0.0000 34284.6438 -149302.0069 299.4163 -183586.6507 -149207.7192 298.9445 91.4244 128.5531 556712.9767 -1.7364 -1.7337 PRESSURE: 4186200 321.559 -62.0038 61.388 -62.0034 37.959 59.6103 61.3875 59.6104 -161.478 GPRESSURE: 4186200 339.868 -62.9731 86.4745 -1.94757 65.9189 168.018 66.5564 7.38289 -105.257 PRESSAVG: 4186200 10.8446 -32.1318 -12.2242 -32.1318 -40.2874 49.9219 -12.2241 49.9218 34.3219 GPRESSAVG: 4186200 9.37407 -31.9859 -9.96055 -32.1206 -39.1537 50.8524 -13.9419 50.8946 34.4696 TIMING: 4186200 CPU: 12567.1, 0.00304529/step Wall: 12567.1, 0.00304529/step, 0.688404 hours remaining, 207.203125 MB of memory in use. ENERGY: 4186200 708.0950 2073.5861 1954.0830 114.4748 -206227.5642 17907.6312 0.0000 0.0000 34106.4710 -149363.2232 297.8603 -183469.6942 -149266.5978 298.9889 66.0135 100.1767 557685.7417 1.6264 1.5633 PRESSURE: 4186400 9.48176 107.365 -68.7667 107.363 77.6934 -98.2425 -68.7667 -98.2429 202.778 GPRESSURE: 4186400 52.4255 120.128 -51.8908 74.4875 107.521 -79.6542 -101.067 -82.8821 208.531 PRESSAVG: 4186400 32.7029 30.8337 10.9396 30.8338 5.12183 -37.8546 10.9395 -37.8546 18.5126 GPRESSAVG: 4186400 32.575 32.7661 10.7251 27.5572 6.29015 -36.7575 10.3237 -39.9873 17.065 TIMING: 4186400 CPU: 12567.7, 0.00305535/step Wall: 12567.7, 0.00305535/step, 0.690509 hours remaining, 207.203125 MB of memory in use. ENERGY: 4186400 717.3130 2031.8927 1932.9260 121.8029 -206577.0717 18079.0982 0.0000 0.0000 34333.8686 -149360.1705 299.8462 -183694.0391 -149263.1452 298.9916 96.6511 122.8260 556358.5922 18.7791 18.6434 PRESSURE: 4186600 -166.217 49.9541 134.195 49.9543 240.034 -0.575061 134.193 -0.57604 165.345 GPRESSURE: 4186600 -103.205 117.508 96.8734 9.77779 210.801 59.3544 142.379 -37.2159 234.492 PRESSAVG: 4186600 -25.4238 36.8733 2.14261 36.8733 -9.92043 -29.3943 2.14258 -29.3943 -0.945521 GPRESSAVG: 4186600 -25.9754 35.2814 2.26946 40.2965 -9.89964 -30.1543 2.40359 -28.6976 -0.846469 TIMING: 4186600 CPU: 12568.3, 0.0030762/step Wall: 12568.3, 0.0030762/step, 0.69505 hours remaining, 207.203125 MB of memory in use. ENERGY: 4186600 750.0383 2061.8873 1965.4160 111.9707 -206332.8030 17977.3496 0.0000 0.0000 34146.3571 -149319.7839 298.2086 -183466.1411 -149225.0234 298.5700 79.7206 114.0294 556388.7975 -12.0966 -12.2405 PRESSURE: 4186800 185.602 86.4981 -85.6071 86.4982 113.926 1.54445 -85.6064 1.54625 -90.5611 GPRESSURE: 4186800 177.693 136.519 -60.6356 34.5821 186.697 48.5662 -15.8312 78.4799 -57.5373 PRESSAVG: 4186800 -33.4158 -4.93593 -8.40478 -4.93603 77.6118 48.0088 -8.40475 48.0087 -22.1023 GPRESSAVG: 4186800 -32.43 -5.87937 -8.82896 -5.95539 76.526 48.3855 -7.60719 48.2174 -22.0871 TIMING: 4186800 CPU: 12568.9, 0.00305171/step Wall: 12568.9, 0.00305171/step, 0.689348 hours remaining, 207.203125 MB of memory in use. ENERGY: 4186800 758.9918 2081.9051 1965.2977 113.1346 -206584.0622 17930.3086 0.0000 0.0000 34216.5066 -149517.9180 298.8213 -183734.4246 -149420.2514 298.5642 69.6557 102.2843 556698.7468 7.3646 7.3363 PRESSURE: 4187000 291.406 -90.8947 -22.3198 -90.8949 -105.346 -211.72 -22.3193 -211.721 90.0779 GPRESSURE: 4187000 327.98 -137.004 -92.586 -44.1255 -81.759 -166.279 23.3908 -195.489 135.284 PRESSAVG: 4187000 98.0317 -48.0133 -16.7699 -48.0134 35.2039 -4.58039 -16.7699 -4.58039 -129.373 GPRESSAVG: 4187000 95.8824 -48.3252 -16.8585 -47.4178 36.2305 -3.58068 -16.3878 -5.17933 -128.127 TIMING: 4187000 CPU: 12569.6, 0.00309119/step Wall: 12569.6, 0.00309119/step, 0.698093 hours remaining, 207.203125 MB of memory in use. ENERGY: 4187000 721.7087 2013.8922 1947.0582 108.2237 -206616.0162 17989.7201 0.0000 0.0000 34285.4935 -149549.9197 299.4237 -183835.4132 -149451.0413 298.7657 92.0460 127.1684 557758.9384 1.2876 1.3287 PRESSURE: 4187200 -88.4099 -59.5037 -93.078 -59.5046 -343.753 84.1355 -93.0774 84.1359 -51.4686 GPRESSURE: 4187200 -98.2458 66.9504 -89.9998 -96.7508 -317.866 135.263 -62.8286 86.0957 21.1138 PRESSAVG: 4187200 41.1842 -18.8311 -79.8038 -18.8311 -26.9619 5.06581 -79.8038 5.06583 -1.06826 GPRESSAVG: 4187200 41.9503 -17.6698 -81.7334 -19.7733 -27.5372 4.67313 -79.3903 6.44891 -0.895275 TIMING: 4187200 CPU: 12570.2, 0.00306941/step Wall: 12570.2, 0.00306941/step, 0.693004 hours remaining, 207.203125 MB of memory in use. ENERGY: 4187200 745.3580 2123.3354 1941.6826 106.5380 -206273.0449 17825.9941 0.0000 0.0000 34259.5433 -149270.5937 299.1971 -183530.1369 -149171.6737 298.6137 -161.2104 -131.6659 558838.2965 4.3847 4.5060 PRESSURE: 4187400 285.678 105.656 8.11044 105.657 142.947 49.3269 8.11131 49.3274 197.899 GPRESSURE: 4187400 377.351 107.885 73.5597 63.965 127.466 30.8037 -3.60725 89.6646 230.918 PRESSAVG: 4187400 52.3708 11.9891 -13.9747 11.9892 -51.1818 6.09817 -13.9746 6.09825 -12.8059 GPRESSAVG: 4187400 52.5785 12.1916 -12.7173 12.6283 -51.3534 5.55537 -12.5673 7.90329 -12.8269 TIMING: 4187400 CPU: 12570.8, 0.00305538/step Wall: 12570.8, 0.00305538/step, 0.689668 hours remaining, 207.203125 MB of memory in use. ENERGY: 4187400 749.7350 2084.6976 1915.1353 120.4819 -206982.4503 18413.3463 0.0000 0.0000 34146.6489 -149552.4053 298.2112 -183699.0542 -149459.2839 298.9962 208.8414 245.2451 555895.3348 -3.8723 -3.8673 PRESSURE: 4187600 -49.2603 -45.803 -78.0674 -45.8029 141.14 -73.2192 -78.0667 -73.2198 -12.0718 GPRESSURE: 4187600 1.04949 -17.9766 -109.711 -79.8653 66.5211 -33.1155 -104.624 -165.879 118.014 PRESSAVG: 4187600 105.588 -11.3484 -44.5702 -11.3485 -47.2479 -18.887 -44.5702 -18.887 -53.1408 GPRESSAVG: 4187600 106.063 -10.0878 -44.6158 -12.5494 -47.2817 -18.0916 -48.0327 -20.0218 -53.9577 TIMING: 4187600 CPU: 12571.4, 0.00303853/step Wall: 12571.4, 0.00303853/step, 0.685695 hours remaining, 207.203125 MB of memory in use. ENERGY: 4187600 739.8277 2062.0788 1939.6330 117.0088 -206863.9542 18072.6289 0.0000 0.0000 34322.7169 -149610.0601 299.7488 -183932.7770 -149517.9680 299.0163 26.6026 61.8616 557127.4759 1.7330 1.6078 PRESSURE: 4187800 4.38732 18.0116 -86.8215 18.0115 -94.1685 -26.0699 -86.8204 -26.0686 -90.9447 GPRESSURE: 4187800 37.277 -17.7708 -56.6845 136.193 -68.6008 -59.5774 -78.3491 10.1352 -51.2156 PRESSAVG: 4187800 34.7978 25.9383 18.4836 25.9381 -43.7832 59.6935 18.4836 59.6935 -2.67391 GPRESSAVG: 4187800 35.0042 24.7683 19.925 27.3094 -43.3978 60.0134 19.6152 60.9305 -3.31536 TIMING: 4187800 CPU: 12572, 0.00305524/step Wall: 12572, 0.00305524/step, 0.689295 hours remaining, 207.203125 MB of memory in use. ENERGY: 4187800 741.5985 2060.1231 1935.9888 123.5944 -206680.2366 17952.4147 0.0000 0.0000 34257.1417 -149609.3755 299.1761 -183866.5172 -149515.4421 298.0889 -60.2420 -27.5131 559600.0671 -3.8865 -3.9030 PRESSURE: 4188000 95.8088 108.663 -52.3696 108.662 99.2873 -35.0593 -52.3703 -35.0591 111.215 GPRESSURE: 4188000 118.988 68.3935 -27.114 86.045 176.317 -72.3859 -9.89614 -4.94754 102.999 PRESSAVG: 4188000 41.3855 -32.6424 -34.7092 -32.6424 -36.7157 16.771 -34.7092 16.7709 -10.9872 GPRESSAVG: 4188000 41.2293 -31.8206 -35.2455 -34.347 -37.5383 15.1309 -32.6488 14.9247 -10.6613 TIMING: 4188000 CPU: 12572.6, 0.0030771/step Wall: 12572.6, 0.0030771/step, 0.694058 hours remaining, 207.203125 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: 4188000 713.7276 2177.0926 1929.5852 110.6893 -206782.6569 18001.9143 0.0000 0.0000 34031.2065 -149818.4415 297.2030 -183849.6479 -149718.6334 298.0715 102.1037 132.7679 556845.8757 -2.1058 -2.3234 PRESSURE: 4188200 -249.92 -221.288 16.2683 -221.287 -349.419 46.9265 16.2694 46.9262 -104.793 GPRESSURE: 4188200 -243.476 -202.86 -25.5268 -221.278 -259.032 3.40841 47.7436 69.1695 -109.477 PRESSAVG: 4188200 10.8601 3.9442 -21.4414 3.94421 28.6698 20.2182 -21.4413 20.218 -55.6412 GPRESSAVG: 4188200 10.516 6.77123 -21.1135 2.83771 29.2878 21.7687 -22.9435 20.1258 -55.4039 TIMING: 4188200 CPU: 12573.2, 0.00303988/step Wall: 12573.2, 0.00303988/step, 0.685494 hours remaining, 207.203125 MB of memory in use. ENERGY: 4188200 766.0988 2087.3778 1942.3509 117.6729 -206390.1400 17598.6439 0.0000 0.0000 34089.5786 -149788.4171 297.7128 -183877.9957 -149693.6260 297.7435 -234.7108 -203.9949 556983.7778 -5.3704 -5.2000 LDB: ============= START OF LOAD BALANCING ============== 12576.7 LDB: ============== END OF LOAD BALANCING =============== 12576.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12576.7 LDB: ============= START OF LOAD BALANCING ============== 12577 LDB: Largest compute 4822 load 0.023150 is 19.6% of average load 0.118138 LDB: Average compute 0.001718 is 1.5% of average load 0.118138 LDB: TIME 12577 LOAD: AVG 0.118138 MAX 0.226238 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.289 MB LDB: TIME 12577 LOAD: AVG 0.118138 MAX 0.226238 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.496 MB LDB: TIME 12577 LOAD: AVG 0.118138 MAX 0.226238 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.496 MB LDB: ============== END OF LOAD BALANCING =============== 12577 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12577 PRESSURE: 4188400 26.7314 -5.2069 -79.7095 -5.20693 -190.696 61.6185 -79.7087 61.6189 -74.6336 GPRESSURE: 4188400 54.1234 -39.3402 -16.505 -55.2628 -144.427 102.472 -116.899 34.03 -41.5673 PRESSAVG: 4188400 46.7528 -8.10015 -55.6232 -8.10016 -4.84391 11.7382 -55.6233 11.7382 -35.7611 GPRESSAVG: 4188400 45.6998 -10.5901 -58.8412 -5.29856 -3.62804 9.79262 -52.852 12.4296 -35.4998 TIMING: 4188400 CPU: 12573.8, 0.00308774/step Wall: 12573.8, 0.00308774/step, 0.696115 hours remaining, 207.207031 MB of memory in use. ENERGY: 4188400 734.3164 2091.8693 1946.7984 111.8491 -206790.3140 18020.3053 0.0000 0.0000 33971.4999 -149913.6756 296.6816 -183885.1755 -149824.0855 297.6075 -79.5328 -43.9569 555794.2200 2.0492 2.1906 PRESSURE: 4188600 235.069 -90.1609 -80.9124 -90.1615 -52.8781 -13.4838 -80.9119 -13.483 17.1305 GPRESSURE: 4188600 287.334 -136.077 -38.2746 -17.2072 -4.76911 18.0934 -134.959 17.6761 11.7881 PRESSAVG: 4188600 93.0549 3.86389 0.997386 3.86385 -19.8176 -61.3768 0.99742 -61.3768 -29.4368 GPRESSAVG: 4188600 94.3545 4.10834 4.71962 3.86558 -20.2048 -58.9351 -2.66097 -60.8532 -30.4971 TIMING: 4188600 CPU: 12574.5, 0.00308244/step Wall: 12574.5, 0.00308244/step, 0.694748 hours remaining, 207.207031 MB of memory in use. ENERGY: 4188600 729.6829 2078.5143 1889.0918 108.1097 -206871.0609 17988.9756 0.0000 0.0000 34204.8346 -149871.8519 298.7193 -184076.6865 -149776.9727 297.0083 66.4406 98.1178 556516.0563 14.6002 14.5509 PRESSURE: 4188800 59.4472 74.8769 -168.408 74.8762 184.736 -177.674 -168.409 -177.673 251.274 GPRESSURE: 4188800 136.821 89.8518 -98.6926 -0.177443 200.624 -207.855 -202.471 -144.501 263.276 PRESSAVG: 4188800 19.7687 -1.70309 -24.3182 -1.70291 4.24402 2.32807 -24.3181 2.32799 -38.4856 GPRESSAVG: 4188800 18.836 -0.141108 -25.3931 -2.55679 4.95099 3.16626 -22.7904 -0.158207 -38.5204 TIMING: 4188800 CPU: 12575.1, 0.00305856/step Wall: 12575.1, 0.00305856/step, 0.689195 hours remaining, 207.261719 MB of memory in use. ENERGY: 4188800 712.8801 2006.2287 1946.6987 113.1809 -206999.0902 18159.0860 0.0000 0.0000 34207.3415 -149853.6743 298.7412 -184061.0158 -149761.1754 297.2023 165.1526 200.2403 556376.9144 -4.8243 -4.9111 PRESSURE: 4189000 -56.1558 -120.915 68.0427 -120.916 -261.611 152.677 68.0426 152.675 -2.52293 GPRESSURE: 4189000 -14.3187 -34.8665 101.4 -129.272 -211.443 134.507 51.7823 131.352 6.43321 PRESSAVG: 4189000 23.1901 41.1186 -38.9043 41.1186 -51.5766 25.5264 -38.9042 25.5264 55.1953 GPRESSAVG: 4189000 23.0159 40.6332 -39.7342 41.9823 -51.443 26.2202 -37.6814 26.5121 55.8498 TIMING: 4189000 CPU: 12575.7, 0.00305153/step Wall: 12575.7, 0.00305153/step, 0.687442 hours remaining, 207.261719 MB of memory in use. ENERGY: 4189000 777.2043 2091.9961 1955.8411 112.2455 -206288.6454 17767.2019 0.0000 0.0000 33893.1501 -149691.0063 295.9973 -183584.1564 -149597.0268 297.1661 -106.7633 -73.1096 558128.6320 8.9363 9.1409 PRESSURE: 4189200 145.821 -79.8261 -57.0866 -79.8244 -69.8481 40.4436 -57.0879 40.4441 2.00167 GPRESSURE: 4189200 132.729 -133.019 -22.5536 -121.007 -49.3546 31.0661 -119.36 66.3332 101.938 PRESSAVG: 4189200 -1.15676 70.3814 -22.8576 70.3815 -30.3368 -11.3965 -22.8576 -11.3966 38.1974 GPRESSAVG: 4189200 -0.501969 68.2358 -22.169 70.8131 -30.5648 -13.053 -25.331 -9.58 37.8537 TIMING: 4189200 CPU: 12576.3, 0.00305441/step Wall: 12576.3, 0.00305441/step, 0.687921 hours remaining, 207.261719 MB of memory in use. ENERGY: 4189200 738.9594 2076.4489 1945.6102 106.6185 -206421.8599 17808.8275 0.0000 0.0000 34073.3797 -149672.0157 297.5713 -183745.3954 -149579.2631 297.8916 25.9914 61.7706 556200.0563 2.2346 2.2623 PRESSURE: 4189400 184.336 98.4455 164.808 98.4455 -7.39555 -111.627 164.809 -111.629 -280.334 GPRESSURE: 4189400 148.784 106.19 156.589 118.884 35.808 -151.179 116.343 -88.1203 -187.432 PRESSAVG: 4189400 54.5427 24.0807 -14.9904 24.0808 -59.6081 -23.4582 -14.9905 -23.4584 4.03137 GPRESSAVG: 4189400 54.2286 26.411 -13.9246 21.8009 -60.2775 -22.7178 -15.3611 -24.9763 5.26431 TIMING: 4189400 CPU: 12576.9, 0.00306067/step Wall: 12576.9, 0.00306067/step, 0.689162 hours remaining, 207.261719 MB of memory in use. ENERGY: 4189400 725.8147 2109.8613 1935.0523 106.3824 -206415.9872 17806.7020 0.0000 0.0000 34037.2738 -149694.9007 297.2560 -183732.1745 -149596.2635 297.7295 -34.4645 -0.9467 556461.6277 -0.3447 -0.2615 PRESSURE: 4189600 -66.9121 -51.7605 76.1669 -51.7591 -33.7564 42.5734 76.1677 42.5755 49.4616 GPRESSURE: 4189600 31.5102 -58.4209 92.1986 -44.1236 -61.193 38.9131 48.1941 51.5979 87.1576 PRESSAVG: 4189600 -3.3743 24.6376 51.7266 24.6376 -47.0393 -71.8093 51.7267 -71.8093 26.7364 GPRESSAVG: 4189600 -3.30472 23.6449 51.4548 25.3839 -46.5814 -72.8669 53.6116 -71.2164 25.5053 TIMING: 4189600 CPU: 12577.5, 0.00303757/step Wall: 12577.5, 0.00303757/step, 0.68379 hours remaining, 207.261719 MB of memory in use. ENERGY: 4189600 718.4920 2102.2962 1912.1610 104.8370 -206635.3165 17769.9425 0.0000 0.0000 34168.8873 -149858.7006 298.4054 -184027.5879 -149760.0743 297.8673 -17.0690 19.1582 557028.1998 -7.8924 -8.1269 PRESSURE: 4189800 -80.986 -12.9568 -36.4454 -12.9558 -264.305 -172.09 -36.4464 -172.09 253.019 GPRESSURE: 4189800 -47.6444 66.6301 68.8288 -41.5553 -268.93 -44.8527 -119.832 -237.543 321.14 PRESSAVG: 4189800 26.3456 -30.4193 30.7749 -30.4194 -91.2983 -23.2169 30.7748 -23.217 16.5117 GPRESSAVG: 4189800 26.4216 -29.1697 29.6624 -31.133 -91.557 -19.3327 30.2109 -26.7348 16.5971 TIMING: 4189800 CPU: 12578.1, 0.00304305/step Wall: 12578.1, 0.00304305/step, 0.684855 hours remaining, 207.261719 MB of memory in use. ENERGY: 4189800 739.6179 2092.4197 1927.3475 101.7707 -206759.9032 17828.4442 0.0000 0.0000 34137.3635 -149932.9397 298.1301 -184070.3032 -149837.5828 297.2743 -30.7573 1.5219 556704.3254 -16.1470 -16.1795 PRESSURE: 4190000 -3.05642 -66.915 89.5002 -66.9131 -104.42 2.18919 89.4998 2.18811 -215.935 GPRESSURE: 4190000 60.7099 17.8011 95.0682 -118.872 -46.4196 20.9917 100.208 4.96527 -230.948 PRESSAVG: 4190000 36.3508 6.93646 30.0147 6.9366 -65.2356 -33.364 30.0147 -33.3639 5.10696 GPRESSAVG: 4190000 37.97 5.64387 29.7742 7.66957 -66.1657 -34.3488 29.6872 -33.4617 4.33106 TIMING: 4190000 CPU: 12578.7, 0.00305255/step Wall: 12578.7, 0.00305255/step, 0.686824 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: 4190000 748.3776 2050.0674 1929.8709 103.4350 -206312.9991 17778.9593 0.0000 0.0000 33949.4737 -149752.8153 296.4892 -183702.2890 -149657.5214 296.7934 -107.8039 -72.2192 559229.2239 -7.9259 -7.9549 PRESSURE: 4190200 35.218 5.33992 102.52 5.34073 -236.193 -40.2638 102.519 -40.2634 -148.547 GPRESSURE: 4190200 112.936 24.0992 127.524 -24.2638 -216.693 -7.04776 102.995 -83.218 -134.882 PRESSAVG: 4190200 12.3607 -11.4813 72.035 -11.4814 -6.21689 -64.5042 72.0351 -64.5042 -26.8326 GPRESSAVG: 4190200 10.7083 -11.0801 72.3311 -12.7005 -5.41816 -66.6177 73.6114 -60.8372 -26.248 TIMING: 4190200 CPU: 12579.3, 0.00304014/step Wall: 12579.3, 0.00304014/step, 0.683862 hours remaining, 207.261719 MB of memory in use. ENERGY: 4190200 730.7283 2041.0433 1942.7026 112.1785 -206677.8114 17905.3060 0.0000 0.0000 34073.6184 -149872.2343 297.5734 -183945.8527 -149780.7505 297.2312 -116.5076 -79.5461 559022.3987 -6.8963 -6.9859 PRESSURE: 4190400 -38.6327 61.6355 21.7576 61.6351 -82.9237 -10.855 21.7577 -10.8555 273.111 GPRESSURE: 4190400 -83.552 50.5987 41.567 85.3683 -5.29921 -35.7145 23.0021 -18.6031 341.338 PRESSAVG: 4190400 -7.85882 1.48633 -4.84477 1.48633 4.59331 -29.2954 -4.84483 -29.2954 -43.9389 GPRESSAVG: 4190400 -8.25322 0.000558363 -4.99624 2.67379 4.31417 -27.8777 -6.34716 -30.1172 -43.3576 TIMING: 4190400 CPU: 12579.9, 0.00303878/step Wall: 12579.9, 0.00303878/step, 0.683388 hours remaining, 207.261719 MB of memory in use. ENERGY: 4190400 769.9349 2038.4411 1930.5779 102.8988 -206294.6828 17924.9242 0.0000 0.0000 33916.9141 -149610.9918 296.2048 -183527.9058 -149518.8348 298.0917 50.5181 84.1622 555368.9527 -15.7348 -15.7655 PRESSURE: 4190600 -351.535 7.30053 119.809 7.29939 -21.4926 -55.2809 119.807 -55.2812 -90.7312 GPRESSURE: 4190600 -286.018 25.6675 162.813 9.9572 -8.0877 -59.8142 114.478 -101.21 -77.8734 PRESSAVG: 4190600 -83.8947 12.0222 10.0025 12.0221 93.2342 -68.49 10.0025 -68.49 14.8254 GPRESSAVG: 4190600 -82.1875 14.1584 10.4294 11.1627 92.3369 -68.2111 9.29371 -68.3441 14.0906 TIMING: 4190600 CPU: 12580.6, 0.0030489/step Wall: 12580.6, 0.0030489/step, 0.685494 hours remaining, 207.261719 MB of memory in use. ENERGY: 4190600 792.8320 2066.3847 1916.9990 95.8132 -206064.3944 17598.7376 0.0000 0.0000 34063.8779 -149529.7499 297.4883 -183593.6279 -149431.4213 297.7603 -154.5863 -123.9932 557802.5473 8.0550 8.0800 PRESSURE: 4190800 -6.18447 104.34 20.2685 104.34 -163.092 76.3571 20.2689 76.3552 -189.266 GPRESSURE: 4190800 -0.665215 162.57 45.1149 94.405 -82.8546 233.211 87.9385 -17.5228 -176.931 PRESSAVG: 4190800 -81.1178 87.0066 38.1559 87.0066 72.5588 -67.7312 38.1559 -67.7312 -25.229 GPRESSAVG: 4190800 -82.2893 86.5475 39.3879 88.2017 73.6316 -67.437 40.2495 -68.4615 -25.6158 TIMING: 4190800 CPU: 12581.2, 0.00304805/step Wall: 12581.2, 0.00304805/step, 0.685134 hours remaining, 207.261719 MB of memory in use. ENERGY: 4190800 728.2166 2060.6640 1940.9848 119.0423 -206276.1694 17775.3927 0.0000 0.0000 34147.8576 -149504.0113 298.2217 -183651.8689 -149397.9453 298.8515 -119.5140 -86.8170 558202.0149 -11.2627 -11.4245 PRESSURE: 4191000 34.5249 63.9346 48.3774 63.9336 0.560545 -173.008 48.3776 -173.008 73.8584 GPRESSURE: 4191000 89.0652 100.219 55.1167 71.8714 29.1665 -268.948 55.9195 -141.757 96.0209 PRESSAVG: 4191000 54.7783 18.2323 24.1214 18.2324 -28.6337 -18.4099 24.1214 -18.41 -12.9681 GPRESSAVG: 4191000 55.1668 18.322 23.2551 17.2895 -27.7832 -20.8124 22.0675 -16.248 -13.6784 TIMING: 4191000 CPU: 12581.8, 0.00304888/step Wall: 12581.8, 0.00304888/step, 0.685152 hours remaining, 207.261719 MB of memory in use. ENERGY: 4191000 765.6232 2065.0658 1889.7595 126.0171 -206359.2080 17826.1917 0.0000 0.0000 34274.5354 -149412.0152 299.3280 -183686.5506 -149314.7180 298.2031 36.3146 71.4175 555166.5492 4.3922 4.5684 PRESSURE: 4191200 240.699 -127.734 5.58675 -127.733 -7.39714 -178.375 5.58597 -178.377 8.93931 GPRESSURE: 4191200 286.868 -122.045 -4.12357 -94.2552 30.5476 -118.229 -26.7937 -237.113 37.0938 PRESSAVG: 4191200 64.5467 14.3128 -57.2334 14.3128 -40.0074 -28.6776 -57.2335 -28.6778 -12.2933 GPRESSAVG: 4191200 63.8694 13.6363 -58.2924 15.9707 -41.1611 -28.9345 -55.9819 -30.5615 -10.6733 TIMING: 4191200 CPU: 12582.4, 0.00300982/step Wall: 12582.4, 0.00300982/step, 0.676207 hours remaining, 207.261719 MB of memory in use. ENERGY: 4191200 749.2269 2149.4300 1935.9128 114.3690 -206505.1677 17906.0093 0.0000 0.0000 34228.4928 -149421.7267 298.9259 -183650.2195 -149320.7720 298.8354 80.7472 118.1699 556110.9319 4.0820 4.0117 PRESSURE: 4191400 -7.80253 -113.967 -30.7702 -113.967 48.2737 -29.9761 -30.7699 -29.977 -111.182 GPRESSURE: 4191400 -62.8271 -161.647 -60.5813 -24.0915 116.78 -1.78653 -45.9016 -79.3001 -27.4159 PRESSAVG: 4191400 -20.9433 -25.3919 -82.9638 -25.3919 59.5606 -43.3808 -82.9638 -43.3807 -22.0187 GPRESSAVG: 4191400 -19.8685 -25.9172 -83.2165 -24.3566 58.7907 -40.8603 -83.873 -42.5944 -22.679 TIMING: 4191400 CPU: 12583, 0.00303653/step Wall: 12583, 0.00303653/step, 0.682038 hours remaining, 207.261719 MB of memory in use. ENERGY: 4191400 734.1465 2036.6841 1934.4559 118.4548 -206290.8861 17822.0552 0.0000 0.0000 34366.0059 -149279.0837 300.1269 -183645.0896 -149179.1715 299.9432 -23.5703 8.8458 558257.0545 5.5329 5.4144 PRESSURE: 4191600 57.7861 -31.8635 -163.897 -31.8635 2.59863 -70.2079 -163.896 -70.2062 75.499 GPRESSURE: 4191600 87.3839 21.0564 -183.479 -53.6113 -17.2494 -21.3022 -111.396 -109.545 166.948 PRESSAVG: 4191600 11.3351 -32.8893 -41.1714 -32.8893 -20.4938 -45.6043 -41.1714 -45.6042 -28.3012 GPRESSAVG: 4191600 11.2174 -31.2524 -41.9697 -35.1415 -21.3911 -47.6363 -39.1728 -46.4247 -27.2963 TIMING: 4191600 CPU: 12583.6, 0.00306082/step Wall: 12583.6, 0.00306082/step, 0.687324 hours remaining, 207.261719 MB of memory in use. ENERGY: 4191600 725.3815 2123.3563 1916.3669 124.3017 -206101.7539 17833.3597 0.0000 0.0000 34228.5593 -149150.4285 298.9265 -183378.9877 -149060.1601 299.4787 45.2946 79.0275 557988.7253 -12.4867 -12.4900 PRESSURE: 4191800 -64.3727 -254.762 -136.642 -254.763 -144.081 32.9241 -136.642 32.9232 124.94 GPRESSURE: 4191800 -12.9298 -233.771 -137.573 -138.392 -115.757 56.7851 -109.355 32.4711 145.394 PRESSAVG: 4191800 28.9279 31.5806 -58.3966 31.5805 -57.4224 22.6312 -58.3966 22.6312 50.0928 GPRESSAVG: 4191800 28.2334 32.0454 -57.4688 32.1231 -56.0105 22.4734 -58.9918 24.0759 48.7122 TIMING: 4191800 CPU: 12584.2, 0.00304/step Wall: 12584.2, 0.00304/step, 0.682481 hours remaining, 207.261719 MB of memory in use. ENERGY: 4191800 750.3405 2128.6265 1940.0766 113.0615 -206192.7643 17812.9787 0.0000 0.0000 34375.1185 -149072.5620 300.2065 -183447.6804 -148970.6840 299.1198 -27.8377 5.5692 556738.2851 7.1994 6.9784 PRESSURE: 4192000 -119.994 -144.624 -60.5425 -144.623 175.938 199.136 -60.5423 199.135 -54.8951 GPRESSURE: 4192000 -114.398 -151.483 -14.0444 -102.604 195.913 142.202 -96.1654 221.696 26.3022 PRESSAVG: 4192000 -13.6371 -40.4274 33.9975 -40.4274 12.9973 -3.24381 33.9975 -3.24383 40.5392 GPRESSAVG: 4192000 -14.2806 -41.6203 34.67 -40.7265 12.0327 -1.23678 31.6732 -5.79596 42.1369 TIMING: 4192000 CPU: 12584.8, 0.00302902/step Wall: 12584.8, 0.00302902/step, 0.679847 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: 4192000 723.4281 2057.0461 1924.5249 106.0198 -205886.1523 17754.2773 0.0000 0.0000 34144.3509 -149176.5052 298.1911 -183320.8561 -149087.6303 299.1358 0.3495 35.9391 557149.9688 13.2998 13.2963 PRESSURE: 4192200 -36.6482 -13.1007 129.606 -13.1015 -44.9259 -31.8894 129.605 -31.891 -187.43 GPRESSURE: 4192200 -8.16969 17.8248 152.65 -38.7158 -8.115 50.5739 141.528 -97.7118 -153.444 PRESSAVG: 4192200 20.0946 32.4526 68.4383 32.4526 -62.9772 65.1672 68.4382 65.1671 13.6225 GPRESSAVG: 4192200 19.9255 32.0782 68.151 34.2651 -62.8098 63.9016 70.087 65.9677 12.9556 TIMING: 4192200 CPU: 12585.4, 0.00302543/step Wall: 12585.4, 0.00302543/step, 0.678873 hours remaining, 207.261719 MB of memory in use. ENERGY: 4192200 710.8362 2075.6829 1937.1796 98.1538 -206050.2262 17494.7780 0.0000 0.0000 34601.7484 -149131.8471 302.1857 -183733.5956 -149029.2731 299.0514 -89.6680 -56.5762 556819.8802 -9.7533 -9.9762 LDB: ============= START OF LOAD BALANCING ============== 12588.8 LDB: ============== END OF LOAD BALANCING =============== 12588.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12588.8 LDB: ============= START OF LOAD BALANCING ============== 12589.2 LDB: Largest compute 4820 load 0.024200 is 20.5% of average load 0.118178 LDB: Average compute 0.001711 is 1.4% of average load 0.118178 LDB: TIME 12589.2 LOAD: AVG 0.118178 MAX 0.223707 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.648 MB LDB: TIME 12589.2 LOAD: AVG 0.118178 MAX 0.223707 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.648 MB LDB: TIME 12589.2 LOAD: AVG 0.118178 MAX 0.223707 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.648 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12589.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12589.2 PRESSURE: 4192400 26.1666 -98.386 57.584 -98.386 -34.9598 -265.14 57.584 -265.141 27.8677 GPRESSURE: 4192400 41.5695 -71.0359 -6.17832 -116.186 29.9396 -262.27 13.339 -253.82 35.7362 PRESSAVG: 4192400 12.7824 -24.6085 -23.8799 -24.6085 -35.4649 56.0416 -23.8798 56.0415 59.1561 GPRESSAVG: 4192400 13.0793 -23.5943 -25.955 -24.4073 -35.0872 57.0665 -24.0006 54.6438 58.6699 TIMING: 4192400 CPU: 12586, 0.00308915/step Wall: 12586, 0.00308915/step, 0.693 hours remaining, 208.421875 MB of memory in use. ENERGY: 4192400 727.6557 2045.4488 1921.3913 105.4301 -206019.1578 17728.7065 0.0000 0.0000 34286.1382 -149204.3872 299.4294 -183490.5254 -149103.3419 299.1924 6.3582 35.7484 557583.6369 12.1579 12.2207 PRESSURE: 4192600 -248.465 -43.9831 -39.2352 -43.9829 45.5781 -86.6744 -39.2345 -86.6757 57.253 GPRESSURE: 4192600 -179.224 24.3741 21.3186 -83.0745 30.4342 -102.976 -86.2664 -38.6526 90.9379 PRESSAVG: 4192600 -15.8721 -37.0027 -1.18347 -37.0026 -7.55217 -1.43875 -1.18344 -1.43876 32.5973 GPRESSAVG: 4192600 -15.6118 -38.1957 0.766656 -37.964 -7.19894 0.261229 -2.32774 -0.83787 32.1659 TIMING: 4192600 CPU: 12586.6, 0.00303479/step Wall: 12586.6, 0.00303479/step, 0.680635 hours remaining, 208.492188 MB of memory in use. ENERGY: 4192600 710.7246 2134.8905 1923.7085 117.4595 -205926.8017 17801.1046 0.0000 0.0000 34117.8221 -149121.0919 297.9594 -183238.9140 -149028.1551 299.3329 -48.5445 -19.2841 559157.1898 3.0577 3.1184 PRESSURE: 4192800 -201.623 -90.0028 24.7329 -90.0027 105.717 222.027 24.7324 222.028 51.2175 GPRESSURE: 4192800 -146.326 -108.102 61.5586 -47.5753 148.892 183.348 1.55763 114.652 70.2064 PRESSAVG: 4192800 -103.078 -69.8388 -7.89912 -69.8387 39.4101 36.3395 -7.89911 36.3395 78.8292 GPRESSAVG: 4192800 -102.41 -69.1695 -10.8207 -69.3545 38.1157 32.0783 -4.83067 36.9944 79.4264 TIMING: 4192800 CPU: 12587.2, 0.00304029/step Wall: 12587.2, 0.00304029/step, 0.681702 hours remaining, 208.492188 MB of memory in use. ENERGY: 4192800 752.5175 2081.8998 1914.7405 127.6040 -206009.1719 17846.4756 0.0000 0.0000 34209.8497 -149076.0848 298.7631 -183285.9345 -148977.5597 298.9741 -14.8961 24.2573 558818.7068 5.0537 5.0440 PRESSURE: 4193000 -185.026 -157.2 161.532 -157.201 -297.545 9.35122 161.53 9.35187 214.779 GPRESSURE: 4193000 -171.441 -122.53 165.757 -135.843 -250.586 69.6244 240.753 42.3554 263.58 PRESSAVG: 4193000 -73.5126 -70.4444 -5.44389 -70.4444 59.705 4.9229 -5.4439 4.92303 24.579 GPRESSAVG: 4193000 -73.6145 -67.8873 -2.12349 -71.5934 60.0783 7.38229 -7.68946 7.18063 24.3359 TIMING: 4193000 CPU: 12587.9, 0.00304577/step Wall: 12587.9, 0.00304577/step, 0.682761 hours remaining, 208.750000 MB of memory in use. ENERGY: 4193000 728.2475 2073.1759 1944.6518 116.4749 -205999.4346 17803.1129 0.0000 0.0000 34235.0889 -149098.6827 298.9835 -183333.7716 -149003.6668 299.3224 -89.2638 -52.8156 559742.7084 3.5905 3.5999 PRESSURE: 4193200 -68.0391 -53.9932 -48.3169 -53.9922 -345.333 48.0812 -48.3173 48.0797 -50.1986 GPRESSURE: 4193200 -72.9222 -95.4777 -40.662 -9.44482 -329.661 27.165 39.4759 36.7335 28.2809 PRESSAVG: 4193200 -25.2097 -28.0249 10.6166 -28.0249 -46.4834 35.4625 10.6166 35.4624 67.6947 GPRESSAVG: 4193200 -25.9145 -28.2327 10.7711 -29.912 -45.5677 37.3015 11.3776 33.0399 67.5657 TIMING: 4193200 CPU: 12588.5, 0.00305291/step Wall: 12588.5, 0.00305291/step, 0.684192 hours remaining, 208.750000 MB of memory in use. ENERGY: 4193200 749.6602 2110.7848 1949.7936 117.6363 -205616.3176 17468.0563 0.0000 0.0000 34299.4740 -148920.9125 299.5458 -183220.3864 -148826.4064 299.3118 -154.5235 -124.7676 560339.6990 -1.3328 -1.3055 PRESSURE: 4193400 -285.695 70.6319 175.576 70.6328 -236.722 -10.6425 175.576 -10.6419 -133.89 GPRESSURE: 4193400 -224.36 39.4673 60.4972 94.7617 -208.888 27.6333 168.742 -49.1432 -114.298 PRESSAVG: 4193400 2.15329 -31.9589 10.62 -31.9589 -99.0354 -11.787 10.62 -11.7869 48.1547 GPRESSAVG: 4193400 2.74055 -34.6782 8.35025 -30.2306 -99.2872 -13.7263 10.6314 -10.1884 47.55 TIMING: 4193400 CPU: 12589.1, 0.00303929/step Wall: 12589.1, 0.00303929/step, 0.680969 hours remaining, 208.750000 MB of memory in use. ENERGY: 4193400 723.7508 2068.3356 1928.4597 103.1373 -205656.6821 17495.3689 0.0000 0.0000 34298.0558 -149039.5740 299.5335 -183337.6297 -148946.3240 299.2637 -218.7691 -182.5151 559838.6735 -16.2425 -16.3322 PRESSURE: 4193600 -112.013 -109.145 92.1503 -109.145 -142.09 12.4355 92.1513 12.4366 -218.374 GPRESSURE: 4193600 -98.11 -172.711 29.549 -16.2084 -89.5513 110.784 103.022 -2.40038 -191.462 PRESSAVG: 4193600 2.12127 -30.8727 25.7655 -30.8727 34.1741 -29.0557 25.7654 -29.0557 8.1289 GPRESSAVG: 4193600 1.97055 -28.9133 27.7183 -31.0609 33.4174 -29.3915 24.6123 -28.4067 8.86125 TIMING: 4193600 CPU: 12589.7, 0.00303792/step Wall: 12589.7, 0.00303792/step, 0.680495 hours remaining, 208.750000 MB of memory in use. ENERGY: 4193600 735.9592 2078.1870 1947.8772 101.0601 -205930.7088 17672.3976 0.0000 0.0000 34436.8655 -148958.3621 300.7457 -183395.2276 -148859.8016 299.7507 -157.4924 -126.3745 559620.8908 14.8081 14.7497 PRESSURE: 4193800 -8.25404 41.378 -52.1446 41.3778 -228.429 33.5725 -52.1447 33.5731 -298.294 GPRESSURE: 4193800 9.75571 -7.13907 -98.4684 47.637 -153.634 7.12287 -26.3104 44.7291 -295.794 PRESSAVG: 4193800 -27.6253 -15.5329 -30.2622 -15.5329 19.0015 -18.5636 -30.2622 -18.5636 -9.7165 GPRESSAVG: 4193800 -28.1826 -17.2141 -30.0415 -14.4111 20.3616 -17.8044 -29.3597 -18.9221 -10.9243 TIMING: 4193800 CPU: 12590.3, 0.00304499/step Wall: 12590.3, 0.00304499/step, 0.681909 hours remaining, 208.750000 MB of memory in use. ENERGY: 4193800 782.3874 2099.0984 1950.0683 130.1395 -205887.8662 17666.8056 0.0000 0.0000 34129.8656 -149129.5014 298.0646 -183259.3670 -149037.5385 299.0932 -178.3254 -146.5574 557955.2126 -6.1134 -6.2484 PRESSURE: 4194000 77.9893 -104.86 129.655 -104.859 -28.3563 17.6859 129.656 17.6834 -60.9142 GPRESSURE: 4194000 106.873 -109.766 105.078 64.3075 24.5134 -28.3054 179.578 -23.1203 -47.4081 PRESSAVG: 4194000 49.1363 46.6953 27.9147 46.6952 -56.0082 25.5916 27.9147 25.5916 -9.98112 GPRESSAVG: 4194000 49.1504 47.9365 26.02 47.0516 -56.6437 25.2998 27.5919 23.6102 -8.96599 TIMING: 4194000 CPU: 12590.9, 0.00307673/step Wall: 12590.9, 0.00307674/step, 0.688847 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: 4194000 761.1615 2153.6454 1936.1535 107.8355 -206552.2372 18051.5325 0.0000 0.0000 34349.0413 -149192.8674 299.9787 -183541.9087 -149097.5912 299.1424 -3.7604 27.9929 559601.8945 -5.6177 -5.4864 PRESSURE: 4194200 78.3392 22.1856 11.3196 22.1855 -174.838 -72.222 11.3206 -72.2228 -264.267 GPRESSURE: 4194200 67.8494 -51.9816 -116.346 40.8946 -95.7211 -52.6043 -19.3036 -83.8341 -232.171 PRESSAVG: 4194200 65.4561 43.4673 10.7859 43.4673 -26.7895 -13.1215 10.7859 -13.1215 -9.23047 GPRESSAVG: 4194200 65.2767 45.5508 9.51705 41.8595 -27.5489 -12.3303 10.6652 -13.2086 -8.55617 TIMING: 4194200 CPU: 12591.5, 0.00306022/step Wall: 12591.5, 0.00306022/step, 0.684979 hours remaining, 208.750000 MB of memory in use. ENERGY: 4194200 761.4896 2057.0103 1929.8782 111.9237 -205848.2295 17536.3802 0.0000 0.0000 34225.3217 -149226.2258 298.8982 -183451.5475 -149129.7795 298.8251 -120.2552 -86.6810 558181.7008 9.8120 9.7239 PRESSURE: 4194400 -234.991 -137.902 -69.9983 -137.902 -197.784 111.854 -69.9982 111.854 -57.2548 GPRESSURE: 4194400 -197.474 -74.2247 -180.271 -120.044 -158.041 135.141 27.9954 106.431 -29.0864 PRESSAVG: 4194400 3.69151 -51.8384 -7.27102 -51.8385 5.66403 91.2288 -7.27103 91.2289 -21.7442 GPRESSAVG: 4194400 4.63604 -53.9153 -7.09241 -51.4813 6.38663 89.5242 -5.68949 92.7638 -22.8292 TIMING: 4194400 CPU: 12592.1, 0.00308261/step Wall: 12592.1, 0.00308261/step, 0.689821 hours remaining, 208.750000 MB of memory in use. ENERGY: 4194400 739.5560 2092.1338 1903.5955 121.6363 -206213.6308 17581.0774 0.0000 0.0000 34390.0585 -149385.5734 300.3369 -183775.6319 -149293.1853 298.9298 -163.3431 -128.2006 558054.8031 -4.1295 -3.9355 PRESSURE: 4194600 90.6411 -17.1525 -100.454 -17.1506 -84.6949 45.7148 -100.454 45.7165 -153.052 GPRESSURE: 4194600 129.475 -34.2384 -88.2621 -8.9402 -98.3427 94.3512 -138.454 56.7916 -79.0152 PRESSAVG: 4194600 35.1348 18.2496 -36.0152 18.2496 -19.227 -13.2767 -36.0152 -13.2766 31.6443 GPRESSAVG: 4194600 35.4629 17.0616 -34.6374 19.983 -19.5924 -12.2691 -37.4748 -13.5688 31.7208 TIMING: 4194600 CPU: 12592.7, 0.00305571/step Wall: 12592.7, 0.00305571/step, 0.683631 hours remaining, 208.750000 MB of memory in use. ENERGY: 4194600 761.2356 2056.4084 1924.4067 128.5137 -206197.2267 17772.5419 0.0000 0.0000 34294.4151 -149259.7053 299.5017 -183554.1203 -149168.3639 298.5117 -49.0354 -15.9608 557628.0270 15.8507 15.8638 PRESSURE: 4194800 -88.2371 -54.3043 -48.9384 -54.3042 -179.332 53.5762 -48.9388 53.5775 33.1355 GPRESSURE: 4194800 -13.2635 -177.411 -90.9378 8.02756 -129.65 40.2837 -11.5622 36.0043 -4.66115 PRESSAVG: 4194800 43.5482 30.6994 -58.066 30.6995 -28.4761 6.95908 -58.066 6.9591 14.5831 GPRESSAVG: 4194800 43.1693 32.5519 -57.1375 30.6981 -29.2088 6.0289 -57.54 6.48569 16.0408 TIMING: 4194800 CPU: 12593.3, 0.0030258/step Wall: 12593.3, 0.0030258/step, 0.67677 hours remaining, 208.750000 MB of memory in use. ENERGY: 4194800 733.8986 2161.4543 1905.6364 125.0512 -205862.0913 17699.5747 0.0000 0.0000 33959.6984 -149276.7779 296.5785 -183236.4763 -149182.5543 298.4762 -78.1445 -49.1917 557836.2308 9.8851 10.0004 PRESSURE: 4195000 45.9381 -6.05282 -24.8917 -6.05198 162.752 90.8491 -24.8926 90.8489 249.66 GPRESSURE: 4195000 43.2346 27.9949 -3.79492 -57.931 214.15 174.087 -88.025 27.9427 292.816 PRESSAVG: 4195000 -26.3506 52.2887 11.5814 52.2887 7.4948 1.82059 11.5814 1.82053 8.60511 GPRESSAVG: 4195000 -26.8251 50.1904 9.78051 52.3156 8.60623 2.13911 12.448 2.17097 7.5161 TIMING: 4195000 CPU: 12594, 0.00302187/step Wall: 12594, 0.00302187/step, 0.675723 hours remaining, 208.750000 MB of memory in use. ENERGY: 4195000 738.3505 2168.9504 1907.9447 102.9480 -206206.9747 17987.1306 0.0000 0.0000 34185.6720 -149115.9784 298.5520 -183301.6505 -149020.3997 299.0749 152.7835 183.4002 557343.3869 -3.4169 -3.5676 PRESSURE: 4195200 -153.72 44.5664 144.035 44.5681 -452.75 -33.1028 144.035 -33.1032 -185.11 GPRESSURE: 4195200 -173.899 40.5653 82.9025 54.8986 -377.866 -46.9999 200.04 11.984 -146.975 PRESSAVG: 4195200 -43.6589 -7.56518 6.04005 -7.56508 -21.7003 7.69881 6.04012 7.69881 32.9551 GPRESSAVG: 4195200 -44.1737 -6.18757 5.59711 -8.16551 -21.3855 8.94262 5.1919 7.01629 33.2228 TIMING: 4195200 CPU: 12594.6, 0.0030331/step Wall: 12594.6, 0.0030331/step, 0.678065 hours remaining, 208.750000 MB of memory in use. ENERGY: 4195200 730.4960 2149.6095 1911.8092 103.4501 -205354.4493 17218.5503 0.0000 0.0000 34085.2800 -149155.2542 297.6752 -183240.5341 -149059.8283 299.9015 -263.8597 -232.9134 558918.6394 -10.8014 -10.7788 PRESSURE: 4195400 -322.954 195.572 133.013 195.572 -173.555 168.07 133.012 168.07 99.5689 GPRESSURE: 4195400 -272.555 152.603 171.836 265.705 -102.759 167.052 234.463 24.5262 73.2578 PRESSAVG: 4195400 42.1882 -23.9058 2.65296 -23.9058 -43.9841 22.5768 2.65283 22.5767 28.6226 GPRESSAVG: 4195400 42.2504 -25.5935 4.29978 -23.1339 -44.3421 21.7722 1.02106 23.8394 28.9557 TIMING: 4195400 CPU: 12595.2, 0.00303102/step Wall: 12595.2, 0.00303102/step, 0.677434 hours remaining, 208.750000 MB of memory in use. ENERGY: 4195400 760.6376 2159.1982 1908.9153 124.1033 -206059.2840 17689.8594 0.0000 0.0000 34257.9285 -149158.6417 299.1830 -183416.5701 -149064.2246 299.3605 -132.3131 -100.6857 557535.6968 8.9422 8.9547 PRESSURE: 4195600 90.0482 -39.8756 -57.6439 -39.8749 -79.7409 127.924 -57.6454 127.924 118.135 GPRESSURE: 4195600 128.047 -12.9753 -103.613 -17.5105 -29.9545 139.83 -21.2344 87.8727 134.316 PRESSAVG: 4195600 -88.1308 -23.0545 -9.62977 -23.0545 7.94297 -21.3111 -9.62983 -21.3111 46.9094 GPRESSAVG: 4195600 -88.3494 -22.4512 -11.7061 -24.4539 8.48983 -17.3618 -8.57581 -22.3855 46.7266 TIMING: 4195600 CPU: 12595.8, 0.00302326/step Wall: 12595.8, 0.00302326/step, 0.675531 hours remaining, 208.750000 MB of memory in use. ENERGY: 4195600 767.2976 2144.8717 1917.8394 118.1714 -206049.9080 17851.6607 0.0000 0.0000 34253.7512 -148996.3161 299.1465 -183250.0673 -148894.8798 299.7945 42.8142 77.4693 557360.1731 -11.0928 -11.0443 PRESSURE: 4195800 55.6824 7.23792 -46.1838 7.23826 85.5954 19.3416 -46.1834 19.3419 -87.7173 GPRESSURE: 4195800 124.412 28.3183 -8.11446 -37.7232 108.479 -28.1125 -57.492 33.2299 -94.8775 PRESSAVG: 4195800 57.7466 -10.475 -16.55 -10.475 -9.83626 15.2627 -16.5499 15.2628 -16.3188 GPRESSAVG: 4195800 58.6258 -12.1714 -15.5983 -8.34768 -10.9882 9.69315 -17.8994 16.9298 -16.0057 TIMING: 4195800 CPU: 12596.4, 0.00302518/step Wall: 12596.4, 0.00302518/step, 0.675793 hours remaining, 208.750000 MB of memory in use. ENERGY: 4195800 777.9257 2064.3750 1937.6192 112.6771 -206236.4728 17960.0417 0.0000 0.0000 34335.5872 -149048.2470 299.8612 -183383.8342 -148948.5487 300.0980 17.8535 46.0043 556922.9795 10.5305 10.5440 PRESSURE: 4196000 310.236 19.4801 -118.036 19.4818 241.493 121.419 -118.038 121.419 102.016 GPRESSURE: 4196000 372.619 1.00481 -100.012 37.5932 291.412 102.232 -3.30887 141.452 99.3415 PRESSAVG: 4196000 76.6605 13.1355 -45.8203 13.1355 -78.4383 18.9499 -45.8203 18.9499 0.216843 GPRESSAVG: 4196000 77.0255 14.8497 -44.7448 11.7958 -78.76 21.3309 -45.2184 17.3304 0.576931 TIMING: 4196000 CPU: 12597, 0.00301024/step Wall: 12597, 0.00301024/step, 0.672287 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: 4196000 754.9166 2195.0834 1929.2622 106.8261 -206887.3651 18206.6329 0.0000 0.0000 34487.3797 -149207.2641 301.1869 -183694.6438 -149115.3147 299.2381 217.9148 254.4575 556006.9049 -0.5203 -0.3858 PRESSURE: 4196200 -233.448 -83.5205 -39.7291 -83.5206 -65.4706 121.099 -39.7278 121.099 85.8162 GPRESSURE: 4196200 -209.218 -159.206 61.0114 -76.3677 -39.7583 175.486 -81.5198 45.3092 140.03 PRESSAVG: 4196200 -11.7077 30.4208 -12.2925 30.4207 13.2451 57.8645 -12.2924 57.8645 10.1348 GPRESSAVG: 4196200 -12.4357 31.4492 -11.7461 29.1452 13.5314 57.3479 -13.4547 58.1472 10.811 TIMING: 4196200 CPU: 12597.6, 0.00302602/step Wall: 12597.6, 0.00302602/step, 0.675644 hours remaining, 208.750000 MB of memory in use. ENERGY: 4196200 763.8732 2218.4710 1943.6960 101.4973 -206455.1646 17871.7391 0.0000 0.0000 34280.6795 -149275.2086 299.3817 -183555.8881 -149176.6394 300.1928 -71.0339 -36.3155 558073.0627 3.8907 3.9689 LDB: ============= START OF LOAD BALANCING ============== 12601 LDB: ============== END OF LOAD BALANCING =============== 12601 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12601 LDB: ============= START OF LOAD BALANCING ============== 12601.3 LDB: Largest compute 4822 load 0.023838 is 20.2% of average load 0.118154 LDB: Average compute 0.001716 is 1.5% of average load 0.118154 LDB: TIME 12601.3 LOAD: AVG 0.118154 MAX 0.220583 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.766 MB LDB: TIME 12601.3 LOAD: AVG 0.118154 MAX 0.220583 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.766 MB LDB: TIME 12601.3 LOAD: AVG 0.118154 MAX 0.220583 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.766 MB LDB: ============== END OF LOAD BALANCING =============== 12601.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12601.3 PRESSURE: 4196400 -33.4913 43.0707 108.552 43.0707 -115.216 -25.0124 108.553 -25.0139 -223.756 GPRESSURE: 4196400 0.558253 76.73 39.1583 12.5091 -105.526 10.5257 159.573 -12.3672 -176.461 PRESSAVG: 4196400 -10.083 36.3689 15.3887 36.3689 22.259 -36.1953 15.3887 -36.1953 -5.43232 GPRESSAVG: 4196400 -11.8797 35.6354 15.2593 37.2471 24.0605 -34.8138 17.1794 -35.6516 -5.65911 TIMING: 4196400 CPU: 12598.2, 0.00307437/step Wall: 12598.2, 0.00307437/step, 0.686268 hours remaining, 207.722656 MB of memory in use. ENERGY: 4196400 765.1215 2073.8709 1952.4410 117.5195 -206121.0764 17781.3643 0.0000 0.0000 34087.1702 -149343.5891 297.6917 -183430.7592 -149256.0294 298.8369 -124.1542 -93.8098 558256.7262 2.2479 2.1739 PRESSURE: 4196600 5.664 -114.762 24.9783 -114.761 -310.832 30.1874 24.9773 30.1883 -192.989 GPRESSURE: 4196600 25.2812 -105.741 53.1854 -63.2955 -269.435 71.5341 26.5587 30.7135 -148.458 PRESSAVG: 4196600 5.3691 -9.32037 -21.7836 -9.32037 -31.305 -4.32415 -21.7837 -4.32418 28.4465 GPRESSAVG: 4196600 7.59739 -11.7555 -22.613 -6.9112 -33.1753 -4.25068 -22.5473 -4.4313 27.7615 TIMING: 4196600 CPU: 12598.8, 0.00306073/step Wall: 12598.8, 0.00306073/step, 0.683052 hours remaining, 207.722656 MB of memory in use. ENERGY: 4196600 759.9565 2136.9024 1960.0284 115.9394 -206374.5145 17634.0833 0.0000 0.0000 34301.3763 -149466.2282 299.5625 -183767.6045 -149378.2508 298.7177 -166.0523 -130.8705 557734.5333 0.8369 0.7279 PRESSURE: 4196800 62.403 -183.104 13.6098 -183.103 -150.84 48.0668 13.6097 48.0665 -183.484 GPRESSURE: 4196800 119.055 -123.609 -35.984 -169.048 -86.9587 38.6006 43.9473 57.0734 -195.253 PRESSAVG: 4196800 23.0415 -37.6482 19.7568 -37.6482 -33.7771 12.9375 19.7568 12.9376 27.7477 GPRESSAVG: 4196800 23.4672 -35.8909 18.9801 -40.0325 -34.2232 11.3941 19.9311 13.8608 27.9314 TIMING: 4196800 CPU: 12599.4, 0.00306417/step Wall: 12599.4, 0.00306417/step, 0.68365 hours remaining, 207.722656 MB of memory in use. ENERGY: 4196800 752.4253 2114.2700 1938.0319 119.8734 -206544.3442 17811.0284 0.0000 0.0000 34409.3952 -149399.3201 300.5058 -183808.7152 -149303.3526 298.9342 -90.6403 -54.3857 557769.7092 5.6707 5.7251 PRESSURE: 4197000 -62.2437 -84.8945 -46.7653 -84.8955 30.3745 8.52198 -46.7649 8.52137 141.295 GPRESSURE: 4197000 -54.424 -49.7842 0.114752 -130.634 21.6942 61.2445 -136.509 -87.3857 239.013 PRESSAVG: 4197000 24.8698 26.6242 -22.5207 26.6241 -53.6216 -2.23693 -22.5207 -2.23688 39.388 GPRESSAVG: 4197000 24.1038 25.2102 -22.7842 27.0419 -52.9624 -0.268043 -21.6071 -5.18214 39.6172 TIMING: 4197000 CPU: 12600, 0.00307189/step Wall: 12600, 0.00307189/step, 0.685202 hours remaining, 207.722656 MB of memory in use. ENERGY: 4197000 747.4417 2114.2367 1936.1033 109.7947 -206375.3583 17862.0376 0.0000 0.0000 34164.3477 -149441.3966 298.3657 -183605.7443 -149344.1794 298.7135 36.4754 68.7610 556898.8678 3.5454 3.5862 PRESSURE: 4197200 186.45 -15.8708 -90.5429 -15.8704 -260.205 77.2891 -90.5424 77.2904 48.517 GPRESSURE: 4197200 186.514 -30.8172 15.2589 44.4228 -217.295 106.82 -110.442 56.2426 98.4982 PRESSAVG: 4197200 11.1633 8.49698 -42.1193 8.49698 -61.8602 -35.7503 -42.1193 -35.7504 68.3783 GPRESSAVG: 4197200 11.4366 10.8164 -39.9832 7.76242 -62.0537 -37.1939 -43.2549 -33.5512 68.3493 TIMING: 4197200 CPU: 12600.7, 0.0030641/step Wall: 12600.7, 0.0030641/step, 0.683294 hours remaining, 207.722656 MB of memory in use. ENERGY: 4197200 737.9034 2122.1568 1944.8218 113.0228 -206389.7217 17847.4391 0.0000 0.0000 34153.7484 -149470.6295 298.2732 -183624.3779 -149371.0323 298.4650 -8.4129 22.5723 556789.4072 5.8938 5.9107 PRESSURE: 4197400 291.409 -99.4982 31.5042 -99.498 422.863 68.5519 31.5039 68.5512 211.333 GPRESSURE: 4197400 308.013 -109.905 19.5108 -44.4135 465.51 23.0774 15.4247 76.8171 261.478 PRESSAVG: 4197400 27.7539 14.9087 -60.0883 14.9086 -13.397 26.047 -60.0884 26.047 10.8403 GPRESSAVG: 4197400 28.1467 15.0022 -61.9623 16.1339 -13.9199 27.2817 -61.2185 26.2936 10.8358 TIMING: 4197400 CPU: 12601.3, 0.00306129/step Wall: 12601.3, 0.00306129/step, 0.682498 hours remaining, 207.722656 MB of memory in use. ENERGY: 4197400 733.8523 2106.7567 1946.6030 110.3301 -206887.4007 18299.1650 0.0000 0.0000 34376.8130 -149313.8807 300.2213 -183690.6936 -149218.3855 298.3978 308.5351 345.0004 555585.1571 8.3991 8.3542 PRESSURE: 4197600 -136.255 36.5016 -146.209 36.5007 -248.048 119.363 -146.208 119.362 -245.775 GPRESSURE: 4197600 -82.5304 -11.8185 -116.82 59.4981 -219.465 130.592 -157.45 17.9369 -229.401 PRESSAVG: 4197600 6.7706 -25.729 -44.1606 -25.7289 -52.6502 -73.5992 -44.1606 -73.5991 50.7024 GPRESSAVG: 4197600 6.56808 -25.1723 -43.0102 -26.9833 -51.3645 -74.9053 -41.9107 -74.6031 49.3829 TIMING: 4197600 CPU: 12601.9, 0.00306367/step Wall: 12601.9, 0.00306367/step, 0.682858 hours remaining, 207.722656 MB of memory in use. ENERGY: 4197600 749.3832 2131.1732 1904.5835 107.1817 -205888.3080 17563.8625 0.0000 0.0000 34149.3174 -149282.8065 298.2345 -183432.1239 -149187.9398 298.8392 -210.0260 -177.1324 559378.1581 1.6076 1.5288 PRESSURE: 4197800 -55.1605 -21.6935 -35.9831 -21.6919 -79.1957 -131.613 -35.984 -131.611 -176.844 GPRESSURE: 4197800 -17.2251 -67.4823 -80.1446 37.8434 -59.7292 -50.726 8.73849 -196.878 -114.131 PRESSAVG: 4197800 42.5631 25.4459 -42.0209 25.4459 5.05845 -10.6051 -42.0209 -10.6052 -35.3437 GPRESSAVG: 4197800 41.9051 24.1776 -42.1376 27.7127 4.72954 -9.27569 -41.4293 -9.81716 -33.6124 TIMING: 4197800 CPU: 12602.5, 0.00306777/step Wall: 12602.5, 0.00306777/step, 0.6836 hours remaining, 207.722656 MB of memory in use. ENERGY: 4197800 774.0724 2042.1661 1949.6241 117.3395 -206647.1439 17929.4060 0.0000 0.0000 34403.6953 -149430.8404 300.4560 -183834.5357 -149332.7040 299.2596 -103.7333 -63.6950 557254.6239 4.0926 4.3408 PRESSURE: 4198000 -255.416 -186.149 58.6825 -186.151 -178.096 -128.467 58.6826 -128.466 6.693 GPRESSURE: 4198000 -167.132 -162.047 63.1963 -165.473 -177.792 -43.3845 40.4614 -123.976 27.6677 PRESSAVG: 4198000 19.1498 -23.4692 43.8504 -23.469 -19.6638 -44.9515 43.8505 -44.9514 35.2645 GPRESSAVG: 4198000 18.2466 -23.6713 43.4972 -23.4646 -18.8424 -46.9132 42.3393 -43.6063 35.592 TIMING: 4198000 CPU: 12603.1, 0.00308595/step Wall: 12603.1, 0.00308595/step, 0.687481 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: 4198000 809.9229 2122.0840 1921.3424 117.8355 -206486.7379 17893.5248 0.0000 0.0000 34152.7864 -149469.2419 298.2648 -183622.0283 -149377.9263 298.4059 -142.2730 -105.7522 558278.4765 11.5835 11.6654 PRESSURE: 4198200 -29.3534 -39.2316 -63.9236 -39.232 -107.116 53.4197 -63.9236 53.4191 -194.964 GPRESSURE: 4198200 -20.0796 -47.7524 -105.832 20.086 -105.454 55.9856 -41.6238 16.3816 -108.871 PRESSAVG: 4198200 1.30293 -38.2923 -4.8729 -38.2924 -32.0596 -26.6504 -4.87294 -26.6504 15.2426 GPRESSAVG: 4198200 1.6465 -40.8311 -4.93488 -37.4931 -31.2775 -27.5902 -4.56404 -27.1836 13.8946 TIMING: 4198200 CPU: 12603.7, 0.00306673/step Wall: 12603.7, 0.00306673/step, 0.683028 hours remaining, 207.722656 MB of memory in use. ENERGY: 4198200 778.3375 2083.0902 1935.3439 101.5609 -206160.0936 17760.7113 0.0000 0.0000 33962.2044 -149538.8454 296.6004 -183501.0498 -149448.0081 298.4538 -110.4779 -78.1351 557893.1126 -5.1714 -5.2455 PRESSURE: 4198400 -122.569 -157.859 228.895 -157.857 58.6959 -5.55077 228.895 -5.55094 159.165 GPRESSURE: 4198400 -49.0265 -216.606 250.871 -93.582 32.927 -134.626 191.596 -20.7567 213.654 PRESSAVG: 4198400 4.04021 16.9547 1.6363 16.9547 -64.7232 -44.9133 1.63633 -44.9133 41.8984 GPRESSAVG: 4198400 5.46954 18.023 2.50989 15.4209 -65.8792 -45.4734 2.76409 -45.6692 42.3112 TIMING: 4198400 CPU: 12604.3, 0.00304927/step Wall: 12604.3, 0.00304927/step, 0.67897 hours remaining, 207.722656 MB of memory in use. ENERGY: 4198400 734.8594 2010.1364 1956.4646 105.0463 -206334.6333 17820.2652 0.0000 0.0000 34105.4212 -149602.4403 297.8511 -183707.8614 -149503.7729 298.3434 31.7638 65.8515 556414.4576 -6.2615 -6.0328 PRESSURE: 4198600 -272.825 66.0445 118.162 66.0453 -248.254 149.291 118.162 149.29 -18.6338 GPRESSURE: 4198600 -214.308 90.7732 80.7215 6.53554 -227.183 118.675 60.8203 191.007 3.26302 PRESSAVG: 4198600 27.202 -21.5185 -7.9505 -21.5184 -31.5357 72.4862 -7.95054 72.4861 -20.7953 GPRESSAVG: 4198600 27.5184 -20.2489 -7.49352 -20.075 -32.1072 73.2962 -10.2962 73.0598 -20.5748 TIMING: 4198600 CPU: 12604.9, 0.00308351/step Wall: 12604.9, 0.00308351/step, 0.686424 hours remaining, 207.722656 MB of memory in use. ENERGY: 4198600 747.7457 2022.3133 1948.8897 117.1868 -206341.2216 17685.2617 0.0000 0.0000 34250.7194 -149569.1049 299.1201 -183819.8243 -149470.6181 298.1326 -179.9045 -146.0761 558325.9893 -8.3763 -8.3878 PRESSURE: 4198800 26.9916 -96.4554 -159.672 -96.4553 -17.7675 -106.126 -159.673 -106.125 -56.4426 GPRESSURE: 4198800 32.673 -89.446 -115.148 -51.8954 -6.48606 -103.989 -85.4664 -128.912 36.3875 PRESSAVG: 4198800 -32.4995 11.9252 -32.5757 11.9253 -62.8483 35.8836 -32.5758 35.8837 74.7102 GPRESSAVG: 4198800 -33.4528 13.5414 -35.7038 10.909 -62.0935 37.6748 -30.6448 35.3838 74.5237 TIMING: 4198800 CPU: 12605.6, 0.00306464/step Wall: 12605.6, 0.00306464/step, 0.682053 hours remaining, 207.722656 MB of memory in use. ENERGY: 4198800 782.7651 2028.7665 1932.4661 112.1812 -206419.6062 17987.6534 0.0000 0.0000 34115.3140 -149460.4599 297.9375 -183575.7739 -149357.1652 298.5029 -15.7395 20.8582 558571.9972 -6.8792 -7.0076 PRESSURE: 4199000 -11.4846 50.7395 -6.48905 50.7399 111.206 33.3228 -6.48866 33.3225 -61.6572 GPRESSURE: 4199000 20.9466 90.7844 19.608 -66.1914 165.659 11.4226 -50.6965 75.0969 -42.2017 PRESSAVG: 4199000 -26.4283 8.43381 -30.3253 8.4337 0.565479 20.2137 -30.3252 20.2136 80.1645 GPRESSAVG: 4199000 -26.0464 7.99785 -26.6622 6.7862 0.641044 19.1507 -31.335 20.808 79.9997 TIMING: 4199000 CPU: 12606.2, 0.00305493/step Wall: 12606.2, 0.00305493/step, 0.679723 hours remaining, 207.722656 MB of memory in use. ENERGY: 4199000 772.6828 2052.6854 1930.7601 109.9078 -206035.0537 17697.8051 0.0000 0.0000 34242.3637 -149228.8488 299.0471 -183471.2124 -149129.0265 298.8578 12.6879 48.1346 557373.8265 18.1006 18.1981 PRESSURE: 4199200 -48.4717 31.8933 76.1242 31.8931 -165.355 38.0758 76.1256 38.0773 -138.645 GPRESSURE: 4199200 0.0339371 -17.8672 25.8635 -18.5017 -165.391 84.9113 116.453 89.7227 -97.6301 PRESSAVG: 4199200 6.72919 -31.9742 34.4285 -31.9741 -10.1506 -8.06432 34.4285 -8.06425 15.1333 GPRESSAVG: 4199200 5.16128 -33.0037 34.9333 -31.3186 -10.0153 -8.32195 34.3111 -8.39153 15.5606 TIMING: 4199200 CPU: 12606.8, 0.00308608/step Wall: 12606.8, 0.00308608/step, 0.686481 hours remaining, 207.722656 MB of memory in use. ENERGY: 4199200 773.2179 2065.5400 1941.9913 110.9088 -206036.9167 17561.2636 0.0000 0.0000 34264.0447 -149319.9502 299.2364 -183583.9950 -149216.5608 298.5125 -117.4906 -87.6625 556972.0343 3.9040 3.5688 PRESSURE: 4199400 198.31 -82.5452 22.2094 -82.547 45.4242 7.42511 22.21 7.42454 149.653 GPRESSURE: 4199400 245.767 -74.536 110.007 19.6923 106.718 20.5371 9.94562 -19.4412 141.168 PRESSAVG: 4199400 24.5905 -8.4348 62.0405 -8.43479 -3.86199 -80.7325 62.0406 -80.7326 9.38907 GPRESSAVG: 4199400 25.8364 -9.53604 58.692 -7.68623 -4.6301 -80.2099 62.4695 -80.9235 8.95875 TIMING: 4199400 CPU: 12607.4, 0.00307842/step Wall: 12607.4, 0.00307842/step, 0.684606 hours remaining, 207.722656 MB of memory in use. ENERGY: 4199400 752.8772 2090.7659 1946.7978 118.5471 -206224.8332 17988.5671 0.0000 0.0000 34079.2442 -149248.0339 297.6225 -183327.2781 -149153.1404 298.6272 131.1288 164.5508 557036.9430 10.0392 10.0550 PRESSURE: 4199600 -140.504 86.7991 106.792 86.7984 -150.857 -180.743 106.791 -180.742 -99.1242 GPRESSURE: 4199600 -82.1179 112.74 105.227 27.6408 -94.063 -223.356 92.3015 -92.1783 -110.589 PRESSAVG: 4199600 3.70429 28.0666 -8.03187 28.0666 -18.039 -13.6322 -8.0318 -13.6322 15.0777 GPRESSAVG: 4199600 3.24291 28.4723 -5.2337 28.1185 -19.0249 -14.0332 -9.37984 -14.8481 16.2998 TIMING: 4199600 CPU: 12608, 0.00307785/step Wall: 12608, 0.00307785/step, 0.684309 hours remaining, 207.722656 MB of memory in use. ENERGY: 4199600 731.8822 2035.6715 1935.7757 119.6284 -205853.6014 17517.0800 0.0000 0.0000 34269.2138 -149244.3499 299.2816 -183513.5637 -149141.7058 298.6135 -130.1615 -95.5899 557397.4706 0.2477 0.1726 PRESSURE: 4199800 245.1 63.6802 -125.779 63.6814 -97.113 -78.172 -125.778 -78.173 75.4827 GPRESSURE: 4199800 269.576 97.6344 -210.203 104.184 -37.7284 -82.8477 -76.2135 -110.756 85.6722 PRESSAVG: 4199800 26.9226 29.2808 -68.1657 29.2807 -4.91183 17.4803 -68.1657 17.4801 -26.5921 GPRESSAVG: 4199800 27.6092 30.5917 -70.9653 27.9897 -3.13484 17.3829 -67.5774 18.5345 -28.5722 TIMING: 4199800 CPU: 12608.6, 0.00305633/step Wall: 12608.6, 0.00305633/step, 0.679353 hours remaining, 207.722656 MB of memory in use. ENERGY: 4199800 713.4087 2043.3554 1947.8706 104.2064 -205841.0753 17761.9020 0.0000 0.0000 34195.4887 -149074.8436 298.6377 -183270.3323 -148978.9416 299.5943 74.4899 105.8401 557733.3543 -1.5271 -1.3660 PRESSURE: 4200000 -79.886 269.864 134.037 269.863 162.518 -32.9888 134.037 -32.9869 -17.2435 GPRESSURE: 4200000 -30.8808 261.481 118.749 283.981 131.703 -69.236 110.1 25.5555 60.9684 PRESSAVG: 4200000 15.5804 8.18998 8.082 8.19004 0.303294 -5.73138 8.08205 -5.73123 59.9142 GPRESSAVG: 4200000 15.9346 8.86688 9.48761 9.448 -0.350404 -6.5538 8.01334 -4.23523 60.4654 TIMING: 4200000 CPU: 12609.2, 0.00303461/step Wall: 12609.2, 0.00303461/step, 0.674358 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: 4200000 697.6625 2075.4740 1943.6012 115.5123 -206087.2723 17868.2928 0.0000 0.0000 34190.6072 -149196.1223 298.5951 -183386.7294 -149100.7995 299.4671 21.7961 53.9302 558397.2140 25.2660 25.3499 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4200000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4200000 WRITING COORDINATES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4200000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4200200 90.4741 -80.6857 133.579 -80.685 -89.4705 -80.9392 133.578 -80.9403 151.641 GPRESSURE: 4200200 125.854 -122.158 72.5625 -112.443 -46.4368 43.7295 139.607 -112.017 174.507 PRESSAVG: 4200200 6.6062 26.9984 2.78891 26.9985 17.617 -7.47039 2.78901 -7.47027 42.5655 GPRESSAVG: 4200200 6.8385 26.6504 5.12396 26.6152 17.4711 -5.5994 1.87159 -9.2412 42.2393 TIMING: 4200200 CPU: 12609.9, 0.00316115/step Wall: 12609.9, 0.00316115/step, 0.702302 hours remaining, 207.722656 MB of memory in use. ENERGY: 4200200 787.9030 2070.6767 1928.6556 118.9784 -206613.9799 18022.8338 0.0000 0.0000 34538.4433 -149146.4891 301.6328 -183684.9324 -149056.5009 299.0866 50.8817 84.6415 557420.3833 22.2629 22.1829 LDB: ============= START OF LOAD BALANCING ============== 12613.3 LDB: ============== END OF LOAD BALANCING =============== 12613.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12613.3 LDB: ============= START OF LOAD BALANCING ============== 12613.6 LDB: Largest compute 4822 load 0.023873 is 20.2% of average load 0.118145 LDB: Average compute 0.001722 is 1.5% of average load 0.118145 LDB: TIME 12613.6 LOAD: AVG 0.118145 MAX 0.224711 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.195 MB LDB: TIME 12613.6 LOAD: AVG 0.118145 MAX 0.224711 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.395 MB LDB: TIME 12613.6 LOAD: AVG 0.118145 MAX 0.224711 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.395 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12613.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12613.6 PRESSURE: 4200400 -386.768 226.48 75.52 226.479 -231.875 9.42907 75.5209 9.4288 -55.1886 GPRESSURE: 4200400 -372.918 240.051 -27.6819 181.939 -196.846 20.9951 83.8396 -37.9813 -0.410696 PRESSAVG: 4200400 -63.0583 22.3629 55.7693 22.3629 3.08907 15.0625 55.7694 15.0623 63.2652 GPRESSAVG: 4200400 -62.0997 22.2511 54.4386 21.6723 1.85213 14.0041 58.0554 15.1942 63.8902 TIMING: 4200400 CPU: 12610.5, 0.00309018/step Wall: 12610.5, 0.00309018/step, 0.686364 hours remaining, 207.714844 MB of memory in use. ENERGY: 4200400 743.2320 2048.1303 1933.9236 106.5671 -205671.9294 17496.6535 0.0000 0.0000 34316.1313 -149027.2916 299.6913 -183343.4229 -148932.1187 299.9029 -224.6108 -190.0581 559425.7097 1.0987 1.2142 PRESSURE: 4200600 -7.17804 -52.8498 60.1683 -52.8495 -33.1933 37.8066 60.1686 37.8035 46.8982 GPRESSURE: 4200600 46.0528 -49.5096 23.6716 14.6128 -10.661 46.9402 147.988 23.46 85.0703 PRESSAVG: 4200600 -16.0205 -11.1807 20.4566 -11.1808 14.6041 -6.51303 20.4566 -6.51309 -5.19788 GPRESSAVG: 4200600 -17.7874 -12.9467 19.4836 -8.38017 14.8651 -5.90149 17.9216 -5.87372 -4.1592 TIMING: 4200600 CPU: 12611.1, 0.00302159/step Wall: 12611.1, 0.00302159/step, 0.67096 hours remaining, 207.714844 MB of memory in use. ENERGY: 4200600 694.4024 2086.1455 1935.4241 119.6478 -206123.4590 17896.0923 0.0000 0.0000 34207.4397 -149184.3073 298.7421 -183391.7470 -149094.1871 298.7685 2.1756 40.1540 559064.8574 -2.2048 -2.3605 PRESSURE: 4200800 -46.5228 -174.086 -124.063 -174.085 -94.4314 32.9273 -124.061 32.9266 89.5958 GPRESSURE: 4200800 -28.3433 -168.795 -85.3576 -100.229 -41.1856 -33.6931 -74.443 57.1397 122.925 PRESSAVG: 4200800 -46.025 -16.0919 7.0367 -16.0919 -10.5085 -17.33 7.03671 -17.33 38.458 GPRESSAVG: 4200800 -46.8331 -15.5376 8.36378 -18.8211 -9.91015 -17.8448 6.85589 -16.8497 37.9442 TIMING: 4200800 CPU: 12611.7, 0.00306465/step Wall: 12611.7, 0.00306465/step, 0.680353 hours remaining, 207.714844 MB of memory in use. ENERGY: 4200800 747.1488 2062.1153 1953.5240 106.0127 -205912.4683 17724.6441 0.0000 0.0000 34277.1285 -149041.8950 299.3507 -183319.0235 -148936.5272 298.6009 -17.1195 17.7988 557864.5933 -6.0252 -6.2663 PRESSURE: 4201000 -104.553 3.53756 -184.881 3.53776 -39.8332 -151.84 -184.881 -151.839 157.227 GPRESSURE: 4201000 -21.9451 -27.3044 -215.552 -31.3736 36.972 -105.297 -148.35 -185.238 94.3854 PRESSAVG: 4201000 -4.21871 -9.22739 -9.47927 -9.22744 13.4172 -75.9422 -9.47915 -75.9422 1.3355 GPRESSAVG: 4201000 -4.33543 -9.80427 -9.40245 -8.11467 13.4422 -75.3954 -7.46122 -79.3257 2.17904 TIMING: 4201000 CPU: 12612.3, 0.00303948/step Wall: 12612.3, 0.00303948/step, 0.674596 hours remaining, 207.714844 MB of memory in use. ENERGY: 4201000 776.1507 2115.7857 1929.4892 119.8019 -205967.5034 17891.5124 0.0000 0.0000 34109.9239 -149024.8397 297.8904 -183134.7636 -148933.0474 299.1713 4.2802 36.4708 558481.2922 3.5113 3.7619 PRESSURE: 4201200 -326.652 -52.0195 105.089 -52.0188 -129.607 -138.163 105.089 -138.161 -50.9983 GPRESSURE: 4201200 -239.147 29.8689 42.045 -59.8519 -110.907 -187.814 127.426 -101.071 -63.9882 PRESSAVG: 4201200 -10.5452 8.17626 -14.5348 8.17625 -9.36948 -31.5722 -14.5348 -31.5721 54.2429 GPRESSAVG: 4201200 -9.44606 7.26611 -13.5519 9.36741 -8.53248 -32.0664 -14.9805 -29.2862 52.0222 TIMING: 4201200 CPU: 12612.9, 0.00302093/step Wall: 12612.9, 0.00302093/step, 0.670311 hours remaining, 207.714844 MB of memory in use. ENERGY: 4201200 732.2541 2055.7238 1939.8676 118.0674 -205663.1720 17671.4553 0.0000 0.0000 34282.4796 -148863.3242 299.3974 -183145.8038 -148767.4444 299.5025 -169.0856 -138.0139 558897.4140 11.4427 11.3479 PRESSURE: 4201400 -82.6246 29.633 100.662 29.6335 35.8472 76.3198 100.662 76.3202 -94.4246 GPRESSURE: 4201400 -50.8955 54.7692 103.876 -12.4026 78.6697 73.2443 107.932 83.526 -85.6118 PRESSAVG: 4201400 -44.6644 -45.7806 48.7127 -45.7806 30.5676 -60.1201 48.7127 -60.1201 -0.784446 GPRESSAVG: 4201400 -44.5819 -45.3508 44.8119 -44.738 29.1339 -59.9664 50.67 -58.955 1.04718 TIMING: 4201400 CPU: 12613.5, 0.00304402/step Wall: 12613.5, 0.00304402/step, 0.675265 hours remaining, 207.714844 MB of memory in use. ENERGY: 4201400 782.8527 2069.3151 1947.9413 109.7177 -205682.5210 17631.5230 0.0000 0.0000 34241.3152 -148899.8559 299.0379 -183141.1711 -148802.2917 300.3191 -47.0673 -19.2792 558100.1054 -4.9604 -4.8003 PRESSURE: 4201600 -54.4815 176.469 53.4404 176.469 51.4548 -52.7167 53.4407 -52.7161 -59.8715 GPRESSURE: 4201600 -24.7997 102.884 62.3414 156.168 54.2678 -43.8485 152.076 -10.5778 -2.87314 PRESSAVG: 4201600 -32.2714 62.3913 71.8743 62.3914 32.3522 3.24654 71.8743 3.24653 15.4377 GPRESSAVG: 4201600 -33.4529 63.2838 73.4129 59.5426 32.9641 3.23109 71.4737 2.69081 15.3354 TIMING: 4201600 CPU: 12614.1, 0.00307196/step Wall: 12614.1, 0.00307196/step, 0.681293 hours remaining, 207.714844 MB of memory in use. ENERGY: 4201600 742.2436 2085.1153 1928.7231 118.0316 -206111.7714 17773.7615 0.0000 0.0000 34345.8116 -149118.0848 299.9505 -183463.8963 -149029.4075 299.2365 -20.9661 8.8650 555947.1004 5.1728 4.9489 PRESSURE: 4201800 -49.3927 39.8945 8.76019 39.8951 -1.44417 42.5416 8.7602 42.5415 243.616 GPRESSURE: 4201800 13.5537 5.61175 72.8133 49.184 13.8288 49.4383 23.4016 82.7737 251.773 PRESSAVG: 4201800 -60.1943 19.2667 46.065 19.2667 -29.0285 26.0515 46.065 26.0516 52.6786 GPRESSAVG: 4201800 -59.117 17.5102 46.9762 19.1369 -30.1805 26.074 46.0301 25.5375 52.8786 TIMING: 4201800 CPU: 12614.8, 0.00305511/step Wall: 12614.8, 0.00305511/step, 0.677385 hours remaining, 207.714844 MB of memory in use. ENERGY: 4201800 726.2393 2080.1170 1953.8457 122.7822 -206060.1565 17823.4251 0.0000 0.0000 34188.1617 -149165.5855 298.5737 -183353.7472 -149079.6689 299.5777 64.2597 93.0520 558327.9130 -12.1814 -12.1396 PRESSURE: 4202000 112.674 -41.316 -19.6285 -41.3161 162.517 -48.0498 -19.629 -48.0509 -33.7433 GPRESSURE: 4202000 138.504 5.60402 -52.6784 22.6683 158.503 13.6786 24.2928 -30.0533 38.9644 PRESSAVG: 4202000 -0.587682 -55.2291 12.9664 -55.2292 39.5263 3.47682 12.9665 3.47699 24.085 GPRESSAVG: 4202000 -1.25199 -53.058 12.6664 -55.9932 40.1321 1.98624 12.4769 4.76632 24.232 TIMING: 4202000 CPU: 12615.4, 0.00310351/step Wall: 12615.4, 0.00310351/step, 0.687945 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: 4202000 777.9333 2101.3944 1957.3891 119.4215 -206293.6221 17975.9203 0.0000 0.0000 34130.8002 -149230.7633 298.0728 -183361.5634 -149150.9596 299.4269 80.4827 111.9904 558329.4945 21.0079 21.0373 PRESSURE: 4202200 367.374 79.9052 106.798 79.9056 1.4151 -32.9546 106.797 -32.9531 13.8387 GPRESSURE: 4202200 386.291 172.121 69.3778 -3.60301 48.4442 24.6047 78.2327 -44.3246 45.8397 PRESSAVG: 4202200 -48.6725 9.69365 12.8215 9.69374 -17.3141 -56.1841 12.8216 -56.1842 51.1699 GPRESSAVG: 4202200 -47.4729 8.85132 14.3908 8.21329 -17.7303 -53.5107 11.447 -58.4312 50.0615 TIMING: 4202200 CPU: 12616, 0.00309647/step Wall: 12616, 0.00309647/step, 0.686211 hours remaining, 207.714844 MB of memory in use. ENERGY: 4202200 798.7263 2095.1501 1926.4383 113.0428 -206614.6988 18111.6367 0.0000 0.0000 34415.2386 -149154.4661 300.5568 -183569.7047 -149052.6957 299.0078 127.5426 160.1917 556269.5704 -4.9389 -5.0472 PRESSURE: 4202400 -145.85 25.5788 -188.871 25.5787 168.515 23.6924 -188.872 23.6932 196.841 GPRESSURE: 4202400 -100.75 16.0307 -109.569 44.887 226.925 -24.4355 -269.894 -32.7013 195.179 PRESSAVG: 4202400 -8.39223 17.9185 -6.94222 17.9185 -11.1684 -9.13278 -6.94223 -9.13282 32.1934 GPRESSAVG: 4202400 -8.42354 17.6093 -7.40293 22.1171 -10.8264 -10.9568 -7.20455 -9.25505 32.12 TIMING: 4202400 CPU: 12616.6, 0.00305643/step Wall: 12616.6, 0.00305643/step, 0.67717 hours remaining, 207.714844 MB of memory in use. ENERGY: 4202400 753.0495 2159.1106 1912.5532 112.5713 -206280.3830 17813.2856 0.0000 0.0000 34272.1645 -149257.6483 299.3073 -183529.8128 -149156.3660 299.3118 73.1688 107.1179 556591.6677 4.2109 4.2900 PRESSURE: 4202600 -438.908 -135.648 -60.4058 -135.648 -198.188 54.404 -60.4056 54.4027 -200.839 GPRESSURE: 4202600 -397.722 -72.5441 -71.5134 -167.327 -153.515 -26.3647 -96.0424 167.427 -204.416 PRESSAVG: 4202600 -41.3753 43.2621 17.5107 43.2621 -7.28297 -30.2054 17.5107 -30.2053 55.4087 GPRESSAVG: 4202600 -42.0908 43.7959 14.7201 43.7127 -7.2049 -30.8957 17.0681 -28.7433 55.7067 TIMING: 4202600 CPU: 12617.2, 0.00305381/step Wall: 12617.2, 0.00305381/step, 0.67642 hours remaining, 207.847656 MB of memory in use. ENERGY: 4202600 782.4896 2172.0826 1954.7101 107.4887 -205648.3188 17340.9705 0.0000 0.0000 34152.2141 -149138.3631 298.2598 -183290.5772 -149050.9757 299.4397 -279.3119 -251.8847 558162.0646 2.2502 2.1370 PRESSURE: 4202800 -112.693 24.7955 130.859 24.7951 -188.217 -12.5021 130.859 -12.5018 109.477 GPRESSURE: 4202800 -42.1649 116.378 56.3905 -45.4336 -135.127 59.1264 200.247 -52.7227 83.9556 PRESSAVG: 4202800 -46.6542 14.1406 27.5323 14.1406 -26.5461 36.5312 27.5322 36.5312 79.368 GPRESSAVG: 4202800 -45.3377 14.0933 26.7094 13.2339 -26.7329 37.8024 28.7803 37.5786 77.9937 TIMING: 4202800 CPU: 12617.8, 0.00302189/step Wall: 12617.8, 0.00302189/step, 0.66918 hours remaining, 207.847656 MB of memory in use. ENERGY: 4202800 751.9312 2156.0538 1938.8128 114.6186 -206184.0999 17771.0852 0.0000 0.0000 34321.3687 -149130.2295 299.7370 -183451.5982 -149031.7291 299.8582 -63.8111 -31.1122 557487.9504 2.0559 1.9744 PRESSURE: 4203000 220.1 82.3573 -100.082 82.3576 4.68882 -58.8056 -100.083 -58.8053 -13.8326 GPRESSURE: 4203000 233.915 167.223 -100.24 44.1651 38.3185 -154.843 -117.291 10.1377 31.6422 PRESSAVG: 4203000 16.1725 -3.73755 22.2893 -3.73751 15.6158 27.2686 22.2893 27.2685 -33.9623 GPRESSAVG: 4203000 14.9151 -4.29846 24.2849 -5.20461 15.9749 26.7436 20.8928 25.5717 -33.1595 TIMING: 4203000 CPU: 12618.4, 0.00303182/step Wall: 12618.4, 0.00303182/step, 0.671211 hours remaining, 207.847656 MB of memory in use. ENERGY: 4203000 721.3635 2129.3294 1926.5196 116.9510 -206108.9808 17784.6921 0.0000 0.0000 34252.2472 -149177.8780 299.1334 -183430.1252 -149075.7748 300.0147 70.3187 101.2920 557307.1507 -0.7247 -0.7565 PRESSURE: 4203200 72.4358 -103.85 -26.5661 -103.849 289.903 34.9612 -26.5669 34.9609 -61.165 GPRESSURE: 4203200 113.161 -67.1469 11.5296 -25.4415 291.045 102.654 -3.74633 59.1167 -13.3987 PRESSAVG: 4203200 -1.91991 8.50018 -37.9936 8.50026 33.5329 46.9224 -37.9935 46.9225 -21.7781 GPRESSAVG: 4203200 -2.63046 9.95314 -39.0186 9.40551 33.3758 46.8793 -35.7534 48.4105 -21.4983 TIMING: 4203200 CPU: 12619, 0.00306868/step Wall: 12619, 0.00306868/step, 0.6792 hours remaining, 207.847656 MB of memory in use. ENERGY: 4203200 756.7492 2082.1401 1953.9807 104.8734 -206458.0088 18083.3313 0.0000 0.0000 34291.7648 -149185.1692 299.4785 -183476.9340 -149089.0936 299.5432 100.3914 130.2688 557211.2508 3.2783 3.0823 PRESSURE: 4203400 150.322 -32.1795 22.6293 -32.1789 -150.217 83.1104 22.6278 83.1108 24.0105 GPRESSURE: 4203400 213.967 -97.5976 64.4143 -35.8467 -123.669 93.0035 -21.1983 90.8609 26.8757 PRESSAVG: 4203400 -36.6419 3.80272 -30.5899 3.80276 45.2536 58.0246 -30.59 58.0245 43.1382 GPRESSAVG: 4203400 -36.7332 2.08821 -28.2517 4.19481 45.0908 57.1065 -33.4784 55.9963 43.2435 TIMING: 4203400 CPU: 12619.7, 0.00307746/step Wall: 12619.7, 0.00307746/step, 0.680974 hours remaining, 207.847656 MB of memory in use. ENERGY: 4203400 777.3999 2097.4453 1939.6538 105.4179 -206320.6339 18002.2661 0.0000 0.0000 34235.7806 -149162.6704 298.9896 -183398.4509 -149060.2099 299.7981 8.0386 39.0579 557056.6761 17.2500 17.2004 PRESSURE: 4203600 -93.0799 99.4564 19.1995 99.4548 125.713 -41.1068 19.1999 -41.1062 -82.8082 GPRESSURE: 4203600 -8.11989 125.42 27.3531 49.2807 126.648 -9.30268 62.2856 -68.142 -75.9518 PRESSAVG: 4203600 -31.5517 -31.0925 -6.3397 -31.0925 -24.3072 -47.9794 -6.33984 -47.9793 15.7591 GPRESSAVG: 4203600 -31.4404 -28.4695 -9.52228 -32.2529 -24.6834 -47.5527 -4.17474 -47.255 16.2636 TIMING: 4203600 CPU: 12620.3, 0.00306962/step Wall: 12620.3, 0.00306962/step, 0.679068 hours remaining, 207.847656 MB of memory in use. ENERGY: 4203600 773.9431 2090.8079 1961.9200 114.7670 -206293.8692 17929.8802 0.0000 0.0000 34292.7184 -149129.8326 299.4868 -183422.5510 -149024.0044 299.8206 -16.7251 14.1921 557547.6189 -13.3666 -13.2867 PRESSURE: 4203800 -58.8313 -129.926 73.8563 -129.927 -422.171 -52.1662 73.8553 -52.1664 -310.775 GPRESSURE: 4203800 -114.671 -155.084 64.1392 -118.093 -332.859 -28.7321 50.7174 1.19426 -250.921 PRESSAVG: 4203800 -6.87801 -25.0218 -28.0156 -25.0218 -27.1702 -6.72268 -28.0155 -6.72272 27.282 GPRESSAVG: 4203800 -6.46938 -26.5303 -27.5759 -24.4897 -27.1866 -7.92541 -26.7488 -3.46887 27.0007 TIMING: 4203800 CPU: 12620.9, 0.00304244/step Wall: 12620.9, 0.00304244/step, 0.672887 hours remaining, 207.847656 MB of memory in use. ENERGY: 4203800 785.1940 2150.2004 1979.8847 114.4903 -206307.0513 17746.8232 0.0000 0.0000 34338.7575 -149191.7013 299.8889 -183530.4588 -149093.1167 299.5339 -263.9260 -232.8170 559819.8070 -2.2554 -2.2184 PRESSURE: 4204000 -93.1794 -105.176 152.089 -105.176 100.225 -25.4593 152.09 -25.4584 -293.742 GPRESSURE: 4204000 -104.091 -103.192 232.712 -213.391 100.622 -138.691 118.159 -161.003 -176.704 PRESSAVG: 4204000 28.8643 -34.2538 49.7464 -34.2538 -64.3212 6.33202 49.7463 6.33199 36.9324 GPRESSAVG: 4204000 28.4548 -34.4867 50.2982 -35.9412 -63.6634 7.19082 47.2152 2.77338 37.3999 TIMING: 4204000 CPU: 12621.5, 0.00303777/step Wall: 12621.5, 0.00303777/step, 0.671684 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: 4204000 779.0580 2139.3836 1937.2742 108.7437 -206448.7892 17928.0766 0.0000 0.0000 34251.0456 -149305.2076 299.1229 -183556.2531 -149208.0197 299.3453 -95.5652 -60.0579 557846.3493 0.4918 0.7304 PRESSURE: 4204200 -245.307 17.7799 115.635 17.7791 -15.4825 26.1527 115.635 26.1521 -284.912 GPRESSURE: 4204200 -237.14 -13.5796 249.174 24.3735 32.7346 -17.1688 109.054 48.6757 -246.805 PRESSAVG: 4204200 25.8127 -49.7307 28.1678 -49.7308 -0.0164898 -18.4036 28.1678 -18.4035 3.15067 GPRESSAVG: 4204200 25.1413 -50.1261 29.1146 -48.8549 0.158629 -16.8657 29.6954 -18.028 3.37087 TIMING: 4204200 CPU: 12622.1, 0.0030362/step Wall: 12622.1, 0.0030362/step, 0.67117 hours remaining, 207.847656 MB of memory in use. ENERGY: 4204200 752.2788 2106.3798 1971.4404 103.3628 -206129.5816 17566.1314 0.0000 0.0000 34348.7440 -149281.2445 299.9761 -183629.9885 -149187.9635 299.1149 -181.9006 -150.4032 557516.5606 9.6490 9.5569 LDB: ============= START OF LOAD BALANCING ============== 12625.5 LDB: ============== END OF LOAD BALANCING =============== 12625.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12625.5 LDB: ============= START OF LOAD BALANCING ============== 12625.8 LDB: Largest compute 4822 load 0.024869 is 21.1% of average load 0.118078 LDB: Average compute 0.001723 is 1.5% of average load 0.118078 LDB: TIME 12625.8 LOAD: AVG 0.118078 MAX 0.225856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.047 MB LDB: TIME 12625.8 LOAD: AVG 0.118078 MAX 0.225856 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.051 MB LDB: TIME 12625.8 LOAD: AVG 0.118078 MAX 0.225856 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12625.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12625.8 PRESSURE: 4204400 -73.6541 61.7459 190.516 61.7473 48.0421 92.0515 190.516 92.0502 -254.911 GPRESSURE: 4204400 -49.7348 105.924 192.924 3.72812 49.1762 108.808 159.276 83.2949 -191.404 PRESSAVG: 4204400 -14.8288 59.7771 36.2794 59.7771 -15.7009 46.0061 36.2793 46.006 48.5155 GPRESSAVG: 4204400 -13.6171 59.2243 35.7742 62.2597 -15.7825 44.6874 37.3654 47.7583 47.4329 TIMING: 4204400 CPU: 12622.7, 0.0031179/step Wall: 12622.7, 0.0031179/step, 0.689057 hours remaining, 207.339844 MB of memory in use. ENERGY: 4204400 742.6488 2080.3014 1962.4617 112.6099 -206330.4607 17934.5411 0.0000 0.0000 34309.3778 -149188.5201 299.6323 -183497.8979 -149091.8742 299.5140 -93.5077 -63.9876 559223.3160 5.9953 6.0111 PRESSURE: 4204600 -27.5878 83.0593 119.762 83.06 -162.859 68.3964 119.761 68.3964 90.2096 GPRESSURE: 4204600 -6.80911 17.4379 127.99 98.4546 -120.326 139.598 167.489 66.7255 119.431 PRESSAVG: 4204600 -5.11687 11.7188 85.4777 11.7188 27.8447 14.9641 85.4778 14.9641 22.5475 GPRESSAVG: 4204600 -5.27081 13.0017 87.0023 8.97631 29.0023 13.7771 84.3642 15.2258 22.3235 TIMING: 4204600 CPU: 12623.3, 0.00308228/step Wall: 12623.3, 0.00308228/step, 0.681012 hours remaining, 207.339844 MB of memory in use. ENERGY: 4204600 735.9804 2140.1342 1970.8894 111.7566 -206413.8197 17816.0122 0.0000 0.0000 34384.0181 -149255.0289 300.2842 -183639.0470 -149155.7383 299.4498 -33.4123 -2.5680 556370.2862 15.0918 15.3517 PRESSURE: 4204800 -4.32557 74.7373 -79.3666 74.7378 -398.455 -223.364 -79.3669 -223.364 152.82 GPRESSURE: 4204800 27.5493 63.4002 -101.047 98.4856 -336.463 -228.792 -31.8865 -88.1707 159.277 PRESSAVG: 4204800 -4.50452 -51.36 43.172 -51.3601 59.3514 -11.6802 43.172 -11.6802 -35.2888 GPRESSAVG: 4204800 -3.74639 -51.8848 42.3355 -49.8855 58.1428 -11.1197 43.5843 -12.8034 -34.5338 TIMING: 4204800 CPU: 12623.9, 0.00306318/step Wall: 12623.9, 0.00306318/step, 0.676622 hours remaining, 207.339844 MB of memory in use. ENERGY: 4204800 718.4016 2143.0303 1975.9650 105.5778 -206238.4989 17895.0506 0.0000 0.0000 34236.5308 -149163.9429 298.9961 -183400.4737 -149067.4378 299.2002 -83.3203 -49.8789 558728.3020 6.5194 6.6209 PRESSURE: 4205000 -163.94 -38.1467 -19.3442 -38.1479 -211.335 5.93745 -19.3442 5.93898 -339.919 GPRESSURE: 4205000 -127.597 85.3183 20.9818 -26.3491 -203.78 -81.6565 5.29841 -39.1557 -288.013 PRESSAVG: 4205000 -7.12082 30.185 10.1892 30.185 34.5167 -15.4477 10.1893 -15.4477 -54.4606 GPRESSAVG: 4205000 -8.51987 30.677 10.7808 29.1575 35.8418 -16.5165 8.06978 -16.8246 -54.2501 TIMING: 4205000 CPU: 12624.6, 0.00303938/step Wall: 12624.6, 0.00303938/step, 0.671197 hours remaining, 207.339844 MB of memory in use. ENERGY: 4205000 748.2048 2139.0490 1920.2189 104.8325 -205947.3659 17748.6320 0.0000 0.0000 34053.7239 -149232.7049 297.3996 -183286.4288 -149134.2328 299.5563 -238.3978 -206.4635 560882.1939 -9.0216 -8.9761 PRESSURE: 4205200 133.836 19.9004 44.5196 19.9007 134.894 -80.7372 44.521 -80.7362 69.7948 GPRESSURE: 4205200 161.391 113.359 101.089 19.6569 156.015 -54.3949 31.787 -176.563 118.629 PRESSAVG: 4205200 41.8463 -11.5817 31.7531 -11.5818 -16.3903 -43.4783 31.7532 -43.4784 -31.2125 GPRESSAVG: 4205200 40.8563 -13.0573 29.8388 -9.99791 -16.6631 -42.5845 34.5562 -43.7573 -30.0219 TIMING: 4205200 CPU: 12625.2, 0.00307128/step Wall: 12625.2, 0.00307128/step, 0.678071 hours remaining, 207.339844 MB of memory in use. ENERGY: 4205200 772.5065 2056.7523 1949.7252 106.0352 -206531.1671 18047.3726 0.0000 0.0000 34290.0954 -149308.6799 299.4639 -183598.7753 -149207.7910 298.6755 112.8417 145.3450 557977.3547 -1.9188 -1.9429 PRESSURE: 4205400 -5.97359 -47.4872 51.8617 -47.4869 355.15 23.2956 51.8622 23.2965 71.4209 GPRESSURE: 4205400 5.17083 -40.3338 9.40766 -83.47 378.205 100.613 -0.650922 1.59721 131.624 PRESSAVG: 4205400 -23.8424 -25.754 17.6096 -25.754 62.4228 -37.1973 17.6096 -37.1972 40.0552 GPRESSAVG: 4205400 -22.8841 -24.4857 17.6153 -26.8516 62.2966 -38.5463 15.8544 -36.4425 39.457 TIMING: 4205400 CPU: 12625.8, 0.00305056/step Wall: 12625.8, 0.00305056/step, 0.673327 hours remaining, 207.339844 MB of memory in use. ENERGY: 4205400 731.5803 2096.5857 1925.7002 134.3062 -206586.1128 18127.6445 0.0000 0.0000 34226.8225 -149343.4734 298.9114 -183570.2959 -149247.0701 299.0726 140.1990 171.6668 558451.4802 26.2119 26.2898 PRESSURE: 4205600 -194.448 -5.50976 93.0408 -5.50877 -198.446 -39.607 93.0399 -39.6081 -37.9662 GPRESSURE: 4205600 -109.617 14.7545 64.2769 1.58085 -217.538 -39.2802 60.7286 -18.7998 -9.49021 PRESSAVG: 4205600 -37.939 -16.9629 -11.5812 -16.9629 14.7044 26.0596 -11.5812 26.0596 42.4709 GPRESSAVG: 4205600 -37.9418 -16.9129 -11.1163 -18.3311 15.2427 27.9284 -10.0053 25.3758 41.9989 TIMING: 4205600 CPU: 12626.4, 0.00303064/step Wall: 12626.4, 0.00303064/step, 0.66876 hours remaining, 207.339844 MB of memory in use. ENERGY: 4205600 720.4062 2113.8394 1962.4548 116.7549 -206307.2466 17714.3251 0.0000 0.0000 34313.8752 -149365.5910 299.6716 -183679.4663 -149269.1104 298.8582 -143.6198 -112.2152 558960.0660 6.4121 6.4333 PRESSURE: 4205800 -39.4226 -51.2008 190.959 -51.2002 -144.139 56.8242 190.958 56.8237 66.7876 GPRESSURE: 4205800 -0.569864 -132.578 228.394 -42.9732 -89.5252 134.345 127.401 -17.0114 74.98 PRESSAVG: 4205800 19.1899 -48.0915 -43.9602 -48.0916 3.08793 -9.65852 -43.9604 -9.65849 -0.0485714 GPRESSAVG: 4205800 18.2623 -50.313 -43.5485 -46.7495 3.47372 -8.77358 -46.9437 -10.2114 0.726707 TIMING: 4205800 CPU: 12627, 0.00304241/step Wall: 12627, 0.00304241/step, 0.671189 hours remaining, 207.339844 MB of memory in use. ENERGY: 4205800 761.4271 2107.6589 1964.3953 111.1407 -206324.1957 17666.7557 0.0000 0.0000 34365.7288 -149347.0893 300.1245 -183712.8181 -149244.4207 299.4304 -38.9245 -5.0383 555974.8876 7.4097 7.4876 PRESSURE: 4206000 -239.483 46.452 45.7939 46.4528 -21.206 118.241 45.7946 118.241 -192.81 GPRESSURE: 4206000 -201.424 58.8281 36.9113 19.3753 7.82785 78.4587 58.1862 110.427 -163.662 PRESSAVG: 4206000 -9.0427 25.8026 -19.1972 25.8026 -26.8519 24.7672 -19.1973 24.7672 37.6225 GPRESSAVG: 4206000 -8.55462 26.0647 -18.8097 26.3449 -26.9552 24.8039 -17.8412 23.8862 37.1924 TIMING: 4206000 CPU: 12627.6, 0.00303938/step Wall: 12627.6, 0.00303938/step, 0.670353 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: 4206000 769.1519 2028.3844 1952.6397 99.5418 -205971.5229 17678.5609 0.0000 0.0000 34103.8480 -149339.3962 297.8374 -183443.2442 -149243.0008 299.1450 -151.1664 -119.0859 557374.9111 0.5760 0.5609 PRESSURE: 4206200 -217.837 244.677 38.2654 244.677 -87.2648 18.4215 38.2657 18.4218 -593.479 GPRESSURE: 4206200 -195.196 233.565 56.3333 275.222 -41.4952 50.3041 -61.6656 89.151 -575.02 PRESSAVG: 4206200 -30.539 35.1802 -21.8542 35.1801 48.2477 31.0544 -21.8542 31.0543 -48.0613 GPRESSAVG: 4206200 -29.7236 33.8645 -21.9534 34.8726 47.6672 31.5886 -21.246 31.1699 -48.0928 TIMING: 4206200 CPU: 12628.2, 0.0030486/step Wall: 12628.2, 0.0030486/step, 0.672216 hours remaining, 207.339844 MB of memory in use. ENERGY: 4206200 780.4866 2025.9375 1945.7808 109.9570 -205766.9320 17403.1911 0.0000 0.0000 34145.6836 -149355.8955 298.2027 -183501.5791 -149252.2206 298.1269 -299.5269 -270.5704 558874.9976 -10.1175 -10.0498 PRESSURE: 4206400 -76.2081 -16.0796 -13.3844 -16.0812 66.1796 137.587 -13.3843 137.586 -61.0331 GPRESSURE: 4206400 -11.1655 3.52806 -24.3649 -52.6026 74.8434 119.786 -69.7957 230.411 -42.671 PRESSAVG: 4206400 16.9448 33.2507 -5.59421 33.2507 26.9122 -35.9529 -5.5942 -35.9529 -29.789 GPRESSAVG: 4206400 17.2141 33.1401 -7.2934 32.4554 27.2406 -35.2791 -6.30379 -35.1472 -30.5082 TIMING: 4206400 CPU: 12628.8, 0.00304479/step Wall: 12628.8, 0.00304479/step, 0.671206 hours remaining, 207.339844 MB of memory in use. ENERGY: 4206400 744.6890 2048.6599 1959.8476 108.1438 -206324.1471 17864.5594 0.0000 0.0000 34317.8281 -149280.4193 299.7061 -183598.2474 -149186.1622 298.8212 -23.6872 7.0023 557198.4180 4.6894 4.6488 PRESSURE: 4206600 -207.42 133.3 -33.991 133.298 -331.362 -29.0613 -33.991 -29.0608 -268.58 GPRESSURE: 4206600 -164.794 182.649 11.8249 127.437 -316.76 -36.7694 -16.5039 -9.51561 -215.296 PRESSAVG: 4206600 -23.1768 64.519 45.636 64.519 67.1272 50.034 45.636 50.0341 -18.5166 GPRESSAVG: 4206600 -22.8524 65.3134 46.9532 64.9688 66.9557 47.9197 46.6294 51.9493 -17.8264 TIMING: 4206600 CPU: 12629.4, 0.00302468/step Wall: 12629.4, 0.00302468/step, 0.666606 hours remaining, 207.339844 MB of memory in use. ENERGY: 4206600 771.6431 2073.6475 1950.0722 102.8847 -205562.3115 17367.4970 0.0000 0.0000 34204.2042 -149092.3627 298.7138 -183296.5669 -148993.6033 299.6217 -269.1207 -232.2832 557803.7284 8.4779 8.7590 PRESSURE: 4206800 -428.007 114.104 -149.759 114.105 -104.083 41.8928 -149.759 41.8933 -88.8193 GPRESSURE: 4206800 -332.828 102.025 -93.9075 148.662 -121.147 62.1599 -205.858 76.77 -67.0409 PRESSAVG: 4206800 -13.309 78.9383 -18.269 78.9382 -17.9983 36.4558 -18.269 36.4558 12.0156 GPRESSAVG: 4206800 -13.7208 78.8448 -17.0705 81.012 -18.9081 34.5858 -18.9911 36.5003 13.7559 TIMING: 4206800 CPU: 12630, 0.00302811/step Wall: 12630, 0.00302811/step, 0.667194 hours remaining, 207.339844 MB of memory in use. ENERGY: 4206800 778.5523 2044.5046 1969.7007 115.8786 -205714.7393 17631.9980 0.0000 0.0000 34266.1744 -148907.9306 299.2550 -183174.1050 -148808.7810 299.8401 -206.9695 -173.6722 558761.8196 -6.4306 -6.2910 PRESSURE: 4207000 74.3147 -47.4986 96.1611 -47.4987 57.4977 0.209767 96.1596 0.208566 337.882 GPRESSURE: 4207000 104.529 -92.6353 175.827 -50.2758 118.893 -20.8776 129.624 75.1287 328.943 PRESSAVG: 4207000 -96.748 24.2967 48.1259 24.2967 16.5555 17.5056 48.1257 17.5055 44.6748 GPRESSAVG: 4207000 -96.8897 24.4275 46.548 23.1361 17.6113 18.0957 49.4545 17.3276 43.858 TIMING: 4207000 CPU: 12630.6, 0.00308101/step Wall: 12630.6, 0.00308101/step, 0.678677 hours remaining, 207.339844 MB of memory in use. ENERGY: 4207000 756.8167 2072.7402 1950.2196 104.3881 -206281.0763 18150.1233 0.0000 0.0000 34174.9764 -149071.8120 298.4586 -183246.7884 -148973.6069 299.2604 156.5648 184.1219 556364.7722 -11.8392 -11.8068 PRESSURE: 4207200 -248.206 -17.5086 44.29 -17.5082 -96.9057 -27.857 44.2888 -27.8578 -371.013 GPRESSURE: 4207200 -218.81 -74.7037 -9.36136 35.7477 -55.8218 -111.887 132.943 60.2277 -340.238 PRESSAVG: 4207200 6.58106 18.1084 59.3461 18.1084 17.8053 34.586 59.3462 34.5861 8.01944 GPRESSAVG: 4207200 7.21779 17.2333 58.5357 18.1124 17.9103 35.9652 58.8022 35.0312 7.26823 TIMING: 4207200 CPU: 12631.3, 0.00306864/step Wall: 12631.3, 0.00306864/step, 0.675784 hours remaining, 207.339844 MB of memory in use. ENERGY: 4207200 772.1561 2100.2393 1956.0076 98.0957 -206187.8232 17581.8631 0.0000 0.0000 34459.9362 -149219.5251 300.9472 -183679.4614 -149124.9958 298.8099 -238.7084 -204.9565 555343.3396 10.8019 10.7988 PRESSURE: 4207400 105.805 164.472 -70.4767 164.472 -41.3135 -37.6069 -70.4778 -37.6069 -211.944 GPRESSURE: 4207400 113.248 71.7306 1.576 49.0342 -16.3883 -50.851 -125.458 5.30509 -150.162 PRESSAVG: 4207400 -57.4612 -9.22626 1.78132 -9.2262 27.2903 39.7801 1.78144 39.78 39.5843 GPRESSAVG: 4207400 -57.8008 -9.12137 5.08225 -8.03036 26.4004 40.1685 0.892836 37.8538 41.2206 TIMING: 4207400 CPU: 12631.9, 0.00307004/step Wall: 12631.9, 0.00307004/step, 0.67592 hours remaining, 207.339844 MB of memory in use. ENERGY: 4207400 775.8782 2050.4590 1978.9456 124.1859 -205899.7243 17626.8164 0.0000 0.0000 34176.4437 -149166.9956 298.4714 -183343.4393 -149065.7379 299.2746 -49.1509 -17.7676 557001.7534 3.1378 3.2734 PRESSURE: 4207600 -248.611 -124.063 100.954 -124.063 -169.371 -30.5622 100.955 -30.5603 -265.987 GPRESSURE: 4207600 -224.453 -110.011 102.969 -81.4258 -87.7307 -60.404 147.323 66.848 -281.506 PRESSAVG: 4207600 -15.4107 -8.97279 -4.20447 -8.9729 12.055 -7.36887 -4.20436 -7.36881 -2.26712 GPRESSAVG: 4207600 -15.0568 -8.95508 -6.60566 -10.7562 12.6347 -9.48196 -3.40431 -4.3943 -2.90547 TIMING: 4207600 CPU: 12632.5, 0.0030493/step Wall: 12632.5, 0.0030493/step, 0.671186 hours remaining, 207.339844 MB of memory in use. ENERGY: 4207600 735.8256 2104.7611 1963.2935 121.4530 -205590.1109 17415.6062 0.0000 0.0000 34090.9772 -149158.1945 297.7250 -183249.1717 -149063.2540 300.0434 -227.9897 -197.8964 559731.3427 -1.8743 -1.7759 PRESSURE: 4207800 -264.03 -217.009 7.67636 -217.009 -91.3089 -157.338 7.67498 -157.339 -52.5474 GPRESSURE: 4207800 -271.432 -207.921 -58.9581 -205.933 -38.2056 -177.981 106.207 -114.1 3.90499 PRESSAVG: 4207800 -77.0857 -45.159 -20.4523 -45.159 -1.80947 -7.68047 -20.4524 -7.68042 61.098 GPRESSAVG: 4207800 -78.6315 -42.3909 -19.8727 -46.3288 -1.11311 -5.20292 -20.7627 -8.87446 62.3778 TIMING: 4207800 CPU: 12633.1, 0.0030169/step Wall: 12633.1, 0.0030169/step, 0.663886 hours remaining, 207.339844 MB of memory in use. ENERGY: 4207800 733.8186 2108.9702 1950.5764 105.9448 -206179.7191 17681.1329 0.0000 0.0000 34454.0535 -149145.2228 300.8958 -183599.2763 -149047.7208 298.8138 -135.9622 -101.9109 557626.2259 -5.9324 -5.7889 PRESSURE: 4208000 -204.685 -21.8159 -140.531 -21.8173 -124.067 36.8821 -140.53 36.8817 -41.6997 GPRESSURE: 4208000 -157.799 -29.6297 -81.0176 -57.1568 -82.247 53.7941 -185.619 24.892 -35.7484 PRESSAVG: 4208000 -57.9775 -59.2714 -26.8437 -59.2713 19.0148 -27.5526 -26.8438 -27.5526 33.7835 GPRESSAVG: 4208000 -56.0833 -61.2469 -26.8133 -58.3708 18.4364 -27.6416 -26.5331 -28.0956 32.009 TIMING: 4208000 CPU: 12633.7, 0.00303584/step Wall: 12633.7, 0.00303584/step, 0.667885 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: 4208000 701.3143 2058.8395 1941.5283 112.5841 -205369.1955 17375.7727 0.0000 0.0000 34216.7996 -148962.3569 298.8238 -183179.1565 -148863.3284 299.0813 -123.4839 -91.9315 558685.9217 -1.7264 -1.8793 PRESSURE: 4208200 69.0944 -58.6038 51.4584 -58.6034 -131.226 -31.1128 51.4589 -31.1132 134.424 GPRESSURE: 4208200 123.673 -112.014 70.0925 23.0649 -148.703 -29.5158 0.366619 -11.4534 191.524 PRESSAVG: 4208200 -23.3766 -22.3581 -27.4206 -22.3582 -12.4112 -61.4569 -27.4205 -61.4568 -2.58469 GPRESSAVG: 4208200 -23.9538 -21.4814 -28.9991 -23.1626 -13.8602 -59.9635 -26.8551 -61.7885 -0.684693 TIMING: 4208200 CPU: 12634.3, 0.00302331/step Wall: 12634.3, 0.00302331/step, 0.66496 hours remaining, 207.339844 MB of memory in use. ENERGY: 4208200 733.7333 2123.9600 1917.3908 107.7719 -206031.6488 17776.5145 0.0000 0.0000 34312.7785 -149059.4998 299.6620 -183372.2783 -148963.3154 299.5772 24.0975 55.4980 559517.4262 -12.7908 -12.8329 LDB: ============= START OF LOAD BALANCING ============== 12637.7 LDB: ============== END OF LOAD BALANCING =============== 12637.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12637.7 LDB: ============= START OF LOAD BALANCING ============== 12638 LDB: Largest compute 4822 load 0.022791 is 19.3% of average load 0.118180 LDB: Average compute 0.001727 is 1.5% of average load 0.118180 LDB: TIME 12638 LOAD: AVG 0.11818 MAX 0.219671 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.766 MB LDB: TIME 12638 LOAD: AVG 0.11818 MAX 0.219671 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.766 MB LDB: TIME 12638 LOAD: AVG 0.11818 MAX 0.219671 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.766 MB LDB: ============== END OF LOAD BALANCING =============== 12638 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 PRESSURE: 4208400 -45.9657 63.2558 22.6043 63.2549 84.5066 -11.4642 22.604 -11.464 183.029 GPRESSURE: 4208400 -23.289 59.4054 25.4985 102.096 126.871 62.2714 1.2784 -60.9684 216.81 PRESSAVG: 4208400 -36.5473 -14.6537 -21.7993 -14.6538 8.39605 -2.82587 -21.7992 -2.82587 -13.2761 GPRESSAVG: 4208400 -37.78 -16.0061 -20.4755 -13.8503 9.0888 -3.80623 -22.769 -1.77305 -13.8664 TIMING: 4208400 CPU: 12634.9, 0.00309041/step Wall: 12634.9, 0.00309041/step, 0.679547 hours remaining, 208.558594 MB of memory in use. ENERGY: 4208400 740.3903 2059.3100 1949.1109 101.0188 -206384.5797 18062.4289 0.0000 0.0000 34337.2770 -149135.0438 299.8760 -183472.3209 -149038.7894 298.9732 73.8566 106.7972 559451.1798 -13.8091 -14.1859 PRESSURE: 4208600 -419.404 -1.15692 71.9805 -1.15655 -72.69 118.293 71.9797 118.293 -337.167 GPRESSURE: 4208600 -385.327 -98.2566 147.681 56.6069 -35.0987 169.597 60.4866 60.8479 -309.654 PRESSAVG: 4208600 5.48811 -13.0166 18.2544 -13.0167 30.532 1.29422 18.2543 1.29419 -62.4165 GPRESSAVG: 4208600 6.76176 -12.9213 20.1802 -14.0392 29.9662 0.682126 16.5602 -0.557426 -63.05 TIMING: 4208600 CPU: 12635.5, 0.00304243/step Wall: 12635.5, 0.00304243/step, 0.668828 hours remaining, 209.058594 MB of memory in use. ENERGY: 4208600 752.0451 2075.7988 1951.8067 118.4599 -205947.8208 17598.5646 0.0000 0.0000 34403.9785 -149047.1672 300.4585 -183451.1457 -148948.7509 299.3504 -276.4202 -243.3599 559228.0507 -8.7988 -8.7740 PRESSURE: 4208800 -101.3 12.0877 63.1055 12.0877 207.865 103.904 63.1049 103.905 93.5142 GPRESSURE: 4208800 -75.2254 -14.502 55.3735 -10.6304 190.624 95.87 114.188 84.5108 172.351 PRESSAVG: 4208800 -33.8542 4.85388 -20.1114 4.85378 41.3036 4.16455 -20.1115 4.16465 11.9123 GPRESSAVG: 4208800 -35.3372 5.19933 -21.1479 4.8302 42.0701 3.19229 -17.7686 4.52352 12.1722 TIMING: 4208800 CPU: 12636.1, 0.00303709/step Wall: 12636.1, 0.00303709/step, 0.667485 hours remaining, 209.058594 MB of memory in use. ENERGY: 4208800 722.6314 2081.4932 1970.6448 104.6900 -206051.6007 17914.2001 0.0000 0.0000 34261.1495 -148996.7916 299.2111 -183257.9411 -148904.2445 299.5758 66.6930 95.9165 558675.9571 6.4539 6.3017 PRESSURE: 4209000 6.15012 12.3839 -113.347 12.384 -109.354 7.74484 -113.348 7.74564 253.429 GPRESSURE: 4209000 20.5083 20.7548 36.9349 89.9379 -51.1878 27.6078 -128.377 12.6175 278.415 PRESSAVG: 4209000 -56.8603 -11.9193 -10.6233 -11.9193 -12.6991 48.1223 -10.6232 48.1222 59.2877 GPRESSAVG: 4209000 -56.951 -12.5588 -11.0458 -11.3562 -12.2898 49.155 -11.1273 49.5249 58.9807 TIMING: 4209000 CPU: 12636.7, 0.00306472/step Wall: 12636.7, 0.00306472/step, 0.673388 hours remaining, 209.058594 MB of memory in use. ENERGY: 4209000 769.0396 2085.8755 1955.0802 97.9453 -206107.4592 17849.0339 0.0000 0.0000 34224.6452 -149125.8394 298.8923 -183350.4846 -149024.6356 299.1342 50.0751 82.5784 556756.9407 -3.4239 -3.4200 PRESSURE: 4209200 126.357 8.01107 64.4233 8.01146 -112.025 109.567 64.4222 109.568 11.7194 GPRESSURE: 4209200 198.501 -11.8372 84.4796 6.6678 -92.217 200.149 -63.8163 -95.9026 8.66086 PRESSAVG: 4209200 13.1516 20.5575 5.03711 20.5575 -19.3923 -8.21968 5.03713 -8.2197 54.8696 GPRESSAVG: 4209200 13.0632 21.5205 4.0566 19.6451 -20.5058 -7.75038 4.31647 -10.8673 56.5224 TIMING: 4209200 CPU: 12637.3, 0.00303138/step Wall: 12637.3, 0.00303138/step, 0.665894 hours remaining, 209.058594 MB of memory in use. ENERGY: 4209200 754.1119 2041.9636 1950.9627 101.3194 -205969.1492 17781.3553 0.0000 0.0000 34178.6403 -149160.7961 298.4906 -183339.4364 -149065.7268 299.5162 8.6836 38.3148 557627.1235 16.2096 16.3599 PRESSURE: 4209400 -381.359 -3.5366 22.1034 -3.53572 -143.414 -52.8591 22.1019 -52.8587 30.8617 GPRESSURE: 4209400 -277.508 8.43771 39.3282 -53.9769 -81.468 -105.508 56.4591 8.12534 -36.1653 PRESSAVG: 4209400 31.2358 25.2777 -23.7297 25.2776 -30.2032 8.38989 -23.7297 8.38981 -7.98481 GPRESSAVG: 4209400 30.6584 22.3637 -22.0572 27.1729 -28.9643 6.53859 -23.5624 10.6003 -9.10018 TIMING: 4209400 CPU: 12638, 0.00304311/step Wall: 12638, 0.00304311/step, 0.6683 hours remaining, 209.058594 MB of memory in use. ENERGY: 4209400 703.8345 2027.6668 1949.5115 105.6034 -205582.5296 17532.9092 0.0000 0.0000 34232.9463 -149030.0578 298.9648 -183263.0041 -148944.0030 299.5998 -164.6370 -131.7138 557839.1401 -2.3174 -2.4687 PRESSURE: 4209600 -74.7631 37.0647 96.3838 37.0641 -59.3732 -118.219 96.3828 -118.22 -170.218 GPRESSURE: 4209600 -9.75271 -62.3326 117.492 35.4291 -56.8417 -60.3749 21.5088 -112.775 -127.287 PRESSAVG: 4209600 -42.1804 54.463 49.198 54.4631 59.6898 21.3764 49.198 21.3764 -28.4371 GPRESSAVG: 4209600 -40.4068 57.4909 48.3128 52.1349 59.5439 23.4271 48.9278 19.9178 -29.8828 TIMING: 4209600 CPU: 12638.6, 0.00302849/step Wall: 12638.6, 0.00302849/step, 0.664922 hours remaining, 209.058594 MB of memory in use. ENERGY: 4209600 753.7034 2048.8854 1954.2243 112.4923 -206113.2951 17726.9735 0.0000 0.0000 34353.8521 -149163.1642 300.0207 -183517.0162 -149072.8269 299.3360 -101.4514 -64.6272 558724.3693 -3.6425 -3.5819 PRESSURE: 4209800 -64.2086 81.2789 -67.8581 81.2778 -154.818 84.8221 -67.8586 84.821 -282.704 GPRESSURE: 4209800 -121.132 167.837 -89.9997 87.5077 -101.544 93.5449 -17.521 87.6703 -180.202 PRESSAVG: 4209800 7.44723 24.2182 63.5747 24.2181 6.45301 12.7296 63.5747 12.7296 -34.5164 GPRESSAVG: 4209800 7.40953 24.4414 62.5516 23.9704 5.57423 11.1157 63.5408 13.2243 -33.8091 TIMING: 4209800 CPU: 12639.2, 0.00305744/step Wall: 12639.2, 0.00305744/step, 0.671108 hours remaining, 209.058594 MB of memory in use. ENERGY: 4209800 751.8437 2068.6372 1936.5351 118.3004 -206023.7688 17608.9790 0.0000 0.0000 34234.9169 -149304.5566 298.9820 -183539.4735 -149205.6662 298.5149 -167.2433 -134.2925 559155.8281 -6.8721 -6.9418 PRESSURE: 4210000 -155.898 -71.0209 63.2823 -71.0207 83.1719 46.123 63.2847 46.1237 -59.6346 GPRESSURE: 4210000 -145.305 -96.3455 61.8389 -118.021 88.6977 46.2658 80.509 164.033 6.23709 PRESSAVG: 4210000 16.8838 -16.895 -11.5623 -16.895 -50.537 -0.755662 -11.5623 -0.755708 34.9006 GPRESSAVG: 4210000 15.835 -17.796 -8.88678 -15.8871 -50.2675 -1.43374 -11.6093 -0.0795692 35.6611 TIMING: 4210000 CPU: 12639.8, 0.00303299/step Wall: 12639.8, 0.00303299/step, 0.665573 hours remaining, 209.058594 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: 4210000 738.8670 2066.5766 1951.9513 108.7732 -206099.7390 17784.3694 0.0000 0.0000 34157.0837 -149292.1177 298.3023 -183449.2014 -149200.1503 298.9346 -44.1202 -16.7899 558692.0627 0.4158 0.4095 PRESSURE: 4210200 100.862 12.8536 38.0988 12.8533 -46.0855 33.7568 38.0974 33.7575 104.725 GPRESSURE: 4210200 126.693 4.77859 59.9031 54.097 -63.0442 18.9274 -2.91388 64.0301 203.042 PRESSAVG: 4210200 -32.8632 -0.225946 -2.74724 -0.226009 -46.1664 -13.353 -2.74727 -13.353 56.7653 GPRESSAVG: 4210200 -32.859 -2.05445 -3.73508 0.203805 -46.1522 -12.7845 -4.04674 -15.0372 56.6406 TIMING: 4210200 CPU: 12640.4, 0.00305758/step Wall: 12640.4, 0.00305758/step, 0.670798 hours remaining, 209.058594 MB of memory in use. ENERGY: 4210200 748.6714 2036.4626 1956.7160 116.2879 -206303.9827 17892.0945 0.0000 0.0000 34334.4219 -149219.3284 299.8510 -183553.7503 -149116.4884 298.9667 53.1671 88.8969 556711.8920 -7.4214 -7.4569 PRESSURE: 4210400 -294.373 43.0796 175.064 43.0812 -150.099 119.209 175.064 119.21 -121.062 GPRESSURE: 4210400 -277.308 -13.902 201.363 66.0432 -103.535 13.4233 98.2914 115.815 -103.355 PRESSAVG: 4210400 -0.260246 33.9742 -14.0469 33.9742 -1.3346 -12.2668 -14.0469 -12.2667 62.4271 GPRESSAVG: 4210400 -0.593639 34.4495 -12.3911 34.7478 -2.428 -12.5491 -11.9999 -11.1119 63.3075 TIMING: 4210400 CPU: 12641, 0.00306577/step Wall: 12641, 0.00306577/step, 0.672426 hours remaining, 209.113281 MB of memory in use. ENERGY: 4210400 759.9961 2045.1606 1962.2226 116.4067 -205935.2625 17528.3628 0.0000 0.0000 34167.3228 -149355.7908 298.3917 -183523.1136 -149262.1403 298.8933 -188.5113 -161.3994 557725.1924 20.2774 20.0953 PRESSURE: 4210600 -82.6012 13.0372 72.9726 13.0375 55.8485 103.689 72.9723 103.691 -75.8667 GPRESSURE: 4210600 -61.9149 -22.4128 6.5353 -15.5371 98.881 88.1284 92.0024 91.783 -45.3078 PRESSAVG: 4210600 -87.3279 -13.1107 60.3361 -13.1107 12.5016 -19.6626 60.3361 -19.6625 7.60769 GPRESSAVG: 4210600 -86.0424 -13.988 58.3575 -14.642 13.8596 -20.5527 59.493 -20.0194 6.26733 TIMING: 4210600 CPU: 12641.6, 0.00305791/step Wall: 12641.6, 0.00305791/step, 0.670532 hours remaining, 209.113281 MB of memory in use. ENERGY: 4210600 786.4240 2086.4697 1976.6079 110.7433 -206165.5211 17831.2490 0.0000 0.0000 34256.7686 -149117.2586 299.1729 -183374.0272 -149025.6666 298.6432 -34.2065 -2.7805 557689.4249 -22.4062 -21.9718 PRESSURE: 4210800 -173.493 -66.2309 -188.938 -66.2308 -217.08 25.8873 -188.937 25.888 -2.76798 GPRESSURE: 4210800 -140.434 -79.4477 -168.636 -75.1458 -197.437 12.4251 -195.287 94.4776 63.5798 PRESSAVG: 4210800 15.4177 4.9392 11.2452 4.93925 23.7766 30.9661 11.2452 30.9661 -25.0926 GPRESSAVG: 4210800 14.7461 6.97502 11.3881 4.78163 23.9432 32.0274 11.9961 32.8573 -24.6738 TIMING: 4210800 CPU: 12642.2, 0.00306414/step Wall: 12642.2, 0.00306414/step, 0.671728 hours remaining, 209.113281 MB of memory in use. ENERGY: 4210800 722.5186 2146.3649 1928.6510 95.6448 -206088.3641 17700.6270 0.0000 0.0000 34270.3859 -149224.1719 299.2918 -183494.5578 -149135.8435 299.6972 -131.1137 -91.4303 556221.0900 4.7006 4.6718 PRESSURE: 4211000 208.411 -10.1043 27.66 -10.1052 85.8006 -24.531 27.6601 -24.5319 -24.322 GPRESSURE: 4211000 183.493 37.6026 44.8708 -25.4093 168.12 -87.9542 8.80844 48.576 9.85467 PRESSAVG: 4211000 41.2273 -45.6467 1.68848 -45.6468 -34.3245 -28.2984 1.68852 -28.2984 -33.1911 GPRESSAVG: 4211000 40.7375 -46.1853 0.557683 -45.0571 -34.2898 -29.1525 1.89804 -28.4613 -32.6174 TIMING: 4211000 CPU: 12642.8, 0.00305354/step Wall: 12642.8, 0.00305354/step, 0.669234 hours remaining, 209.183594 MB of memory in use. ENERGY: 4211000 759.8446 2103.2765 1925.7902 99.0318 -206033.4706 17929.8171 0.0000 0.0000 34144.1757 -149071.5347 298.1896 -183215.7105 -148979.5531 299.5732 89.9631 120.4892 556776.4716 -8.7627 -8.7232 PRESSURE: 4211200 -35.8195 18.9002 -183.064 18.9002 -67.0047 -82.1185 -183.064 -82.1181 206.148 GPRESSURE: 4211200 60.0618 23.4796 -215.862 64.2449 -46.7084 -93.3102 -160.243 -106.584 183.976 PRESSAVG: 4211200 -37.0846 20.4931 10.3421 20.493 18.0865 -45.9815 10.3421 -45.9814 67.8483 GPRESSAVG: 4211200 -37.4934 19.9382 9.56743 21.1038 18.4604 -43.5632 9.85997 -46.8546 67.7364 TIMING: 4211200 CPU: 12643.5, 0.00306149/step Wall: 12643.5, 0.00306149/step, 0.670805 hours remaining, 209.183594 MB of memory in use. ENERGY: 4211200 759.5720 2061.9289 1979.1089 105.6311 -205875.2550 17773.6053 0.0000 0.0000 34323.1825 -148872.2264 299.7529 -183195.4089 -148778.0448 299.6858 34.4413 65.7764 558125.1233 16.2834 16.2345 PRESSURE: 4211400 58.3524 -141.515 140.16 -141.514 -63.7053 0.378536 140.16 0.381189 118.147 GPRESSURE: 4211400 95.1085 -129.53 139.66 -138.825 -20.2088 -21.4426 60.3 36.9636 122.662 PRESSAVG: 4211400 -50.1508 44.7303 6.75845 44.7302 2.7296 -16.1632 6.75846 -16.1633 29.6639 GPRESSAVG: 4211400 -49.9499 45.083 8.24807 43.8496 2.66466 -17.4534 7.56747 -15.2103 29.3707 TIMING: 4211400 CPU: 12644.1, 0.00302191/step Wall: 12644.1, 0.00302191/step, 0.661966 hours remaining, 209.183594 MB of memory in use. ENERGY: 4211400 733.8672 2081.1060 1936.4831 117.0647 -205912.1114 17776.8733 0.0000 0.0000 34302.5729 -148964.1443 299.5729 -183266.7172 -148862.3645 299.6128 37.5981 65.8539 558595.7265 -5.9191 -5.9715 PRESSURE: 4211600 -97.9949 -41.4435 44.9322 -41.443 88.6839 50.4472 44.9309 50.4459 65.9994 GPRESSURE: 4211600 -100.282 -102.93 81.5181 -0.583974 102.419 52.7628 58.8922 129.795 154.557 PRESSAVG: 4211600 -25.8104 -3.61754 35.1276 -3.61758 14.0463 13.9348 35.1276 13.9349 -5.49889 GPRESSAVG: 4211600 -25.7057 -3.06167 33.7049 -4.11591 12.5798 16.0767 34.6338 13.4911 -3.94006 TIMING: 4211600 CPU: 12644.7, 0.00306856/step Wall: 12644.7, 0.00306856/step, 0.672015 hours remaining, 209.183594 MB of memory in use. ENERGY: 4211600 707.5101 2062.1128 1934.7451 115.5769 -205723.5780 17684.5936 0.0000 0.0000 34222.8548 -148996.1847 298.8767 -183219.0395 -148909.3864 299.5454 18.8961 52.2312 557292.2050 -5.7543 -5.6887 PRESSURE: 4211800 -146.123 17.1755 -122.091 17.176 283.154 -92.0746 -122.091 -92.0751 28.919 GPRESSURE: 4211800 -114.623 10.5315 39.9224 32.9773 335.12 -99.3166 -152.956 -162.02 32.3697 PRESSAVG: 4211800 -26.6897 15.4481 -12.3376 15.4482 -12.7647 -35.4208 -12.3376 -35.4208 39.927 GPRESSAVG: 4211800 -25.9621 17.2806 -10.2734 15.561 -11.5146 -34.1361 -12.05 -36.9244 37.9796 TIMING: 4211800 CPU: 12645.3, 0.00301435/step Wall: 12645.3, 0.00301435/step, 0.659976 hours remaining, 209.183594 MB of memory in use. ENERGY: 4211800 729.6449 2073.1917 1981.4608 114.7962 -206261.0651 17794.8661 0.0000 0.0000 34358.0450 -149209.0603 300.0574 -183567.1053 -149122.1811 299.5207 55.3165 84.2889 557219.3115 0.1575 0.1676 PRESSURE: 4212000 40.9607 -21.2258 216.854 -21.2257 174.651 -87.5991 216.853 -87.599 39.4885 GPRESSURE: 4212000 90.2557 64.9513 303.957 -3.58093 228.992 -22.552 113.493 -151.702 31.6814 PRESSAVG: 4212000 -18.2695 9.84991 3.24745 9.84981 120.687 -29.2148 3.24746 -29.2147 -68.3095 GPRESSAVG: 4212000 -19.1122 9.36223 3.50166 10.6278 120.781 -30.8525 1.72581 -29.1689 -67.5868 TIMING: 4212000 CPU: 12645.9, 0.00302139/step Wall: 12645.9, 0.00302139/step, 0.661348 hours remaining, 209.183594 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: 4212000 732.1529 2096.2209 1953.8428 128.6247 -206781.7126 18048.1891 0.0000 0.0000 34369.6487 -149453.0335 300.1587 -183822.6822 -149369.3076 298.9800 85.0334 116.9764 556451.4163 11.3693 11.3607 PRESSURE: 4212200 -70.313 -2.25055 -293.132 -2.25033 74.9493 -77.1407 -293.132 -77.1401 -150.674 GPRESSURE: 4212200 -57.9119 -40.4456 -338.535 -5.68751 106.957 -56.3401 -239.818 -137.98 -116.559 PRESSAVG: 4212200 -22.784 -21.1109 -25.0886 -21.1109 28.7656 -22.8521 -25.0886 -22.8521 -27.3502 GPRESSAVG: 4212200 -22.1637 -21.537 -27.9954 -21.678 28.4276 -23.7375 -23.1381 -22.9969 -27.171 TIMING: 4212200 CPU: 12646.5, 0.00304547/step Wall: 12646.5, 0.00304547/step, 0.666451 hours remaining, 209.183594 MB of memory in use. ENERGY: 4212200 757.8758 2081.0681 1945.3627 120.9364 -206412.7294 17884.3377 0.0000 0.0000 34144.6056 -149478.5430 298.1933 -183623.1486 -149378.1209 298.8070 -48.6794 -22.5046 556712.4553 -7.1229 -6.9690 LDB: ============= START OF LOAD BALANCING ============== 12649.9 LDB: ============== END OF LOAD BALANCING =============== 12649.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12649.9 LDB: ============= START OF LOAD BALANCING ============== 12650.2 LDB: Largest compute 4822 load 0.022895 is 19.4% of average load 0.118070 LDB: Average compute 0.001718 is 1.5% of average load 0.118070 LDB: TIME 12650.2 LOAD: AVG 0.11807 MAX 0.223442 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.289 MB LDB: TIME 12650.2 LOAD: AVG 0.11807 MAX 0.223442 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.289 MB LDB: TIME 12650.2 LOAD: AVG 0.11807 MAX 0.223442 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.289 MB LDB: ============== END OF LOAD BALANCING =============== 12650.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12650.2 PRESSURE: 4212400 -385.97 -71.6177 -127.86 -71.618 -302.269 35.1421 -127.86 35.1456 -188.317 GPRESSURE: 4212400 -331.152 -101.151 -110.316 -84.7291 -211.886 28.7274 -88.0401 13.5314 -244.849 PRESSAVG: 4212400 -0.740394 -28.5274 7.1693 -28.5274 10.9528 -12.2773 7.16925 -12.2774 -1.40917 GPRESSAVG: 4212400 -0.866869 -28.6675 9.64379 -26.5636 10.5688 -11.6615 6.77182 -12.2284 -0.947403 TIMING: 4212400 CPU: 12647.1, 0.00313007/step Wall: 12647.1, 0.00313007/step, 0.68479 hours remaining, 208.480469 MB of memory in use. ENERGY: 4212400 761.5547 2045.7090 1968.6983 114.6007 -205847.8792 17512.4449 0.0000 0.0000 34131.3343 -149313.5374 298.0774 -183444.8717 -149213.8681 298.1893 -292.1852 -262.6290 558973.7688 2.9344 2.9182 PRESSURE: 4212600 -447.367 -55.3189 84.6404 -55.3191 -209.371 -11.2798 84.6412 -11.281 -150.841 GPRESSURE: 4212600 -425.134 -49.291 160.967 -125.76 -154.488 -102.536 31.2536 -8.69302 -126.62 PRESSAVG: 4212600 -48.0136 -22.7774 -48.548 -22.7774 -31.8403 -44.5448 -48.548 -44.5449 89.72 GPRESSAVG: 4212600 -48.3302 -22.9509 -47.5988 -24.0697 -31.6196 -46.1218 -50.2561 -42.1184 89.6164 TIMING: 4212600 CPU: 12647.7, 0.00302207/step Wall: 12647.7, 0.00302207/step, 0.660995 hours remaining, 208.683594 MB of memory in use. ENERGY: 4212600 750.7612 2098.1473 1910.3725 115.2017 -206090.9059 17515.3713 0.0000 0.0000 34102.2333 -149598.8187 297.8233 -183701.0520 -149502.1839 298.5982 -269.1931 -235.4140 558542.1518 3.2887 3.2222 PRESSURE: 4212800 80.769 136.6 -17.7197 136.601 -97.3045 -92.9306 -17.72 -92.9301 155.545 GPRESSURE: 4212800 131.067 113.459 -34.348 142.397 -106.447 -28.7896 16.8938 -34.9246 225.514 PRESSAVG: 4212800 40.7774 30.2492 -44.3231 30.2492 -57.8015 21.709 -44.3231 21.7091 43.9585 GPRESSAVG: 4212800 40.9056 31.1811 -44.5889 29.8332 -57.8102 23.4576 -42.913 20.8038 44.3869 TIMING: 4212800 CPU: 12648.3, 0.00303382/step Wall: 12648.3, 0.00303382/step, 0.663394 hours remaining, 208.683594 MB of memory in use. ENERGY: 4212800 742.6166 2108.9180 1935.2921 116.9576 -206771.0342 17960.1453 0.0000 0.0000 34073.2455 -149833.8591 297.5701 -183907.1046 -149742.7568 298.2315 46.3365 83.3780 557135.8975 8.9781 9.1608 PRESSURE: 4213000 -31.8894 -3.93214 1.48086 -3.93225 143.889 -146.229 1.48116 -146.23 -103.746 GPRESSURE: 4213000 21.1606 27.0953 -3.57819 -24.299 167.652 -131.45 -6.62076 -156.98 -79.5629 PRESSAVG: 4213000 31.7306 8.88495 31.7585 8.88499 29.4645 -11.5385 31.7585 -11.5386 -2.69291 GPRESSAVG: 4213000 32.1486 7.29112 33.1139 10.4376 28.5258 -13.0243 29.3717 -11.1539 -2.0777 TIMING: 4213000 CPU: 12648.9, 0.00302631/step Wall: 12648.9, 0.00302631/step, 0.661586 hours remaining, 208.683594 MB of memory in use. ENERGY: 4213000 755.6984 2092.4844 1960.3172 108.8569 -206943.9298 17933.8480 0.0000 0.0000 34408.8359 -149683.8889 300.5009 -184092.7248 -149588.3746 297.4933 2.7511 36.4167 555930.9389 19.5007 19.5323 PRESSURE: 4213200 -185.913 -84.7057 57.7292 -84.7051 -220.298 -149.839 57.7289 -149.838 -147.95 GPRESSURE: 4213200 -140.286 -72.926 23.8461 -73.8032 -165.896 -125.52 15.571 -158.229 -153.389 PRESSAVG: 4213200 15.8277 -5.01904 -36.2334 -5.01894 1.24687 -17.6761 -36.2333 -17.6761 -74.4236 GPRESSAVG: 4213200 15.1385 -5.22569 -38.6909 -5.17019 2.57512 -17.0363 -33.2043 -20.3255 -75.6234 TIMING: 4213200 CPU: 12649.5, 0.003037/step Wall: 12649.5, 0.003037/step, 0.663754 hours remaining, 208.683594 MB of memory in use. ENERGY: 4213200 742.5091 2092.4805 1955.2536 100.5325 -206026.5817 17457.5004 0.0000 0.0000 34066.1491 -149612.1565 297.5082 -183678.3056 -149517.0223 298.3845 -184.7204 -153.1906 556709.5199 -19.1163 -19.3033 PRESSURE: 4213400 118.397 -95.0459 -14.7291 -95.0445 -205.935 24.9492 -14.7279 24.9486 -173.486 GPRESSURE: 4213400 155.388 -146.913 -183.747 0.153847 -179.034 43.2288 144.666 98.0099 -131.365 PRESSAVG: 4213400 12.6401 -25.0315 -84.376 -25.0314 70.1998 -0.284963 -84.3759 -0.285043 -10.8325 GPRESSAVG: 4213400 12.4735 -24.1614 -85.8506 -24.9636 68.4386 -0.406101 -82.7337 3.66669 -8.74601 TIMING: 4213400 CPU: 12650.1, 0.0030399/step Wall: 12650.1, 0.0030399/step, 0.664218 hours remaining, 208.683594 MB of memory in use. ENERGY: 4213400 749.3663 2050.6570 1944.6963 113.6903 -206150.5100 17637.3506 0.0000 0.0000 34191.8589 -149462.8906 298.6060 -183654.7496 -149362.4814 299.1493 -87.0084 -51.6703 556274.0135 24.0024 24.0554 PRESSURE: 4213600 -82.5985 109.518 -90.0453 109.518 -100.457 94.9891 -90.0457 94.9901 29.7232 GPRESSURE: 4213600 -1.80162 7.86539 -55.1676 159.641 -89.2906 136.79 -127.486 177.56 29.1646 PRESSAVG: 4213600 -11.3405 -2.72857 13.3067 -2.72858 -30.9081 -46.9492 13.3066 -46.9493 6.992 GPRESSAVG: 4213600 -11.2158 -2.25316 13.5575 -3.868 -30.1738 -45.1597 12.4096 -48.7246 5.76977 TIMING: 4213600 CPU: 12650.8, 0.00306441/step Wall: 12650.8, 0.00306441/step, 0.669402 hours remaining, 208.683594 MB of memory in use. ENERGY: 4213600 749.4771 2076.6035 1944.6425 105.9414 -206366.0365 17751.3136 0.0000 0.0000 34433.4165 -149304.6418 300.7156 -183738.0583 -149206.9264 299.4201 -51.1107 -20.6425 556774.3972 -11.7522 -11.8733 PRESSURE: 4213800 55.9321 -136.203 -301.518 -136.202 49.2835 8.51 -301.518 8.50942 70.478 GPRESSURE: 4213800 61.7766 -131.921 -298.079 -174.58 88.0506 21.5656 -266.839 -38.1852 126.985 PRESSAVG: 4213800 -8.3516 10.4177 12.453 10.4177 41.1316 -44.7735 12.453 -44.7735 -28.907 GPRESSAVG: 4213800 -7.82314 11.9936 14.4658 11.2189 40.9103 -47.0153 11.1328 -43.9701 -29.3243 TIMING: 4213800 CPU: 12651.4, 0.00305205/step Wall: 12651.4, 0.00305205/step, 0.666534 hours remaining, 208.683594 MB of memory in use. ENERGY: 4213800 751.2464 2111.5910 1939.2643 110.3588 -206482.4359 17972.7817 0.0000 0.0000 34368.6291 -149228.5647 300.1498 -183597.1938 -149133.9519 299.7847 58.5645 92.2709 555939.6861 1.2910 1.2543 PRESSURE: 4214000 -95.5421 6.54567 48.861 6.54615 -57.3036 -18.3728 48.8628 -18.3719 -229.599 GPRESSURE: 4214000 -109.674 -2.88333 33.5745 -16.9788 -5.55562 52.0072 35.8607 12.434 -170.078 PRESSAVG: 4214000 30.9167 -43.5537 46.165 -43.5538 -0.985987 -12.129 46.165 -12.129 16.7041 GPRESSAVG: 4214000 29.42 -45.1002 44.4478 -43.3717 -0.141839 -10.7266 46.2027 -13.7033 17.4253 TIMING: 4214000 CPU: 12652, 0.00305139/step Wall: 12652, 0.00305139/step, 0.66622 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: 4214000 766.3230 2154.3870 1941.6249 115.6224 -206028.0258 17595.7590 0.0000 0.0000 34297.2204 -149157.0891 299.5262 -183454.3095 -149067.9304 299.6529 -127.4815 -95.1025 557142.7522 15.5449 15.5678 PRESSURE: 4214200 53.2597 -145.324 135.347 -145.323 148.903 -15.6654 135.348 -15.6659 -118.509 GPRESSURE: 4214200 117.185 -155.815 156.862 -155.458 156.054 -74.4408 17.7749 -35.523 -102.481 PRESSAVG: 4214200 -32.2582 16.9293 -1.41517 16.9293 32.4857 -13.8764 -1.41509 -13.8764 -3.21886 GPRESSAVG: 4214200 -32.1789 17.3838 -0.924558 18.2873 32.8376 -16.3878 -0.6884 -12.0681 -3.94187 TIMING: 4214200 CPU: 12652.6, 0.00305638/step Wall: 12652.6, 0.00305638/step, 0.667141 hours remaining, 208.683594 MB of memory in use. ENERGY: 4214200 717.5393 2107.7238 1966.0268 119.5553 -206216.1058 17850.9535 0.0000 0.0000 34378.6197 -149075.6874 300.2370 -183454.3072 -148981.1005 300.4088 27.8845 56.9196 558256.7554 -0.9971 -1.0944 PRESSURE: 4214400 39.973 75.5835 81.0865 75.5839 -110.151 133.123 81.0869 133.122 61.3963 GPRESSURE: 4214400 85.333 89.0171 86.0914 129.504 -111 239.339 33.4658 35.982 103.324 PRESSAVG: 4214400 15.4404 30.6007 26.0275 30.6006 11.131 -29.2103 26.0274 -29.2103 -27.6608 GPRESSAVG: 4214400 15.4239 29.0229 27.0275 30.1121 10.1329 -28.7879 25.3684 -29.0916 -26.85 TIMING: 4214400 CPU: 12653.2, 0.00304969/step Wall: 12653.2, 0.00304969/step, 0.665511 hours remaining, 208.683594 MB of memory in use. ENERGY: 4214400 736.6375 2125.1221 1960.1714 113.1922 -206173.4672 17631.7234 0.0000 0.0000 34272.8508 -149333.7697 299.3133 -183606.6205 -149237.0110 299.5208 -2.9274 25.8856 555483.2230 -0.3631 -0.4311 PRESSURE: 4214600 -37.4384 206.877 53.8139 206.877 1.72576 -42.1022 53.8142 -42.1038 -179.253 GPRESSURE: 4214600 6.18476 161.283 88.2486 168.131 47.5406 -135.724 57.1667 -81.9463 -170.742 PRESSAVG: 4214600 -24.3411 46.1313 11.8097 46.1313 22.1369 -21.832 11.8097 -21.8319 -7.82879 GPRESSAVG: 4214600 -23.1348 46.08 11.5375 45.3969 22.4239 -21.1812 11.1921 -21.9357 -9.1396 TIMING: 4214600 CPU: 12653.8, 0.0030621/step Wall: 12653.8, 0.0030621/step, 0.668048 hours remaining, 208.683594 MB of memory in use. ENERGY: 4214600 748.6633 2096.5238 1938.5424 117.7106 -206322.3997 17814.8636 0.0000 0.0000 34266.6354 -149339.4606 299.2590 -183606.0960 -149246.4452 299.2229 -71.6553 -39.0055 556051.8751 -3.3443 -3.2835 PRESSURE: 4214800 127.908 111.023 -9.32089 111.021 193.05 26.102 -9.32151 26.0998 150.19 GPRESSURE: 4214800 224.007 -1.96638 -92.8798 152.487 176.069 -32.7375 10.5202 50.1374 171.395 PRESSAVG: 4214800 7.3267 -11.5309 7.03188 -11.531 -27.1784 -44.3119 7.03194 -44.312 22.1355 GPRESSAVG: 4214800 6.69927 -10.4705 5.98235 -12.9464 -27.8499 -44.7231 9.24389 -44.6946 23.6951 TIMING: 4214800 CPU: 12654.4, 0.00306167/step Wall: 12654.4, 0.00306167/step, 0.667785 hours remaining, 208.683594 MB of memory in use. ENERGY: 4214800 732.8800 2071.9985 1962.2446 109.8636 -206603.0590 18010.9586 0.0000 0.0000 34367.9220 -149347.1917 300.1436 -183715.1137 -149246.1715 298.6958 157.0494 190.4902 555788.3252 0.7613 0.8482 PRESSURE: 4215000 -105.683 29.0021 10.9746 29.0009 -213.222 -57.5947 10.9749 -57.5951 -125.681 GPRESSURE: 4215000 -72.5647 29.3712 35.1241 -20.308 -184.687 17.5414 -18.0556 -26.3011 -76.7085 PRESSAVG: 4215000 13.9547 8.34416 19.6707 8.34405 -17.3085 34.5222 19.6707 34.5223 -4.09414 GPRESSAVG: 4215000 15.8713 7.53003 18.925 9.55153 -17.4965 35.0015 19.8382 33.0273 -5.54124 TIMING: 4215000 CPU: 12655, 0.00302157/step Wall: 12655, 0.00302157/step, 0.65887 hours remaining, 208.683594 MB of memory in use. ENERGY: 4215000 746.1960 2091.5010 1970.5257 111.4615 -206120.6945 17750.1738 0.0000 0.0000 34090.7444 -149360.0920 297.7230 -183450.8365 -149260.8324 298.4138 -148.1953 -111.3199 557697.4762 -2.4826 -2.3888 PRESSURE: 4215200 -272.884 -72.0257 -103.375 -72.026 -111.731 -5.45597 -103.375 -5.45732 109.247 GPRESSURE: 4215200 -174.279 -93.4298 -141.756 -41.636 -114.968 -9.60856 -35.347 70.4402 111.439 PRESSAVG: 4215200 11.7096 -43.6814 3.27186 -43.6814 56.2555 20.4842 3.27181 20.4842 -33.8356 GPRESSAVG: 4215200 11.5874 -41.531 3.44284 -43.3397 57.2409 19.1288 2.64902 22.6273 -35.3145 TIMING: 4215200 CPU: 12655.6, 0.00301509/step Wall: 12655.6, 0.00301509/step, 0.657289 hours remaining, 208.683594 MB of memory in use. ENERGY: 4215200 766.8422 2110.4226 1948.2158 110.8656 -206088.0324 17757.3775 0.0000 0.0000 34358.0892 -149036.2196 300.0577 -183394.3088 -148944.2162 299.6557 -91.7895 -59.2696 557218.1184 11.3765 11.1713 PRESSURE: 4215400 -136.844 -62.3136 39.1267 -62.3128 38.5364 -108.947 39.127 -108.946 -32.3992 GPRESSURE: 4215400 -101.303 -42.8258 19.4232 -1.44866 94.8847 -119.717 72.1058 -135.942 -36.199 PRESSAVG: 4215400 -50.6535 -73.3476 21.9379 -73.3476 59.205 7.24329 21.9379 7.2434 -4.77037 GPRESSAVG: 4215400 -51.993 -75.4537 22.5157 -73.3329 59.2595 8.32461 21.2879 5.28207 -4.06639 TIMING: 4215400 CPU: 12656.2, 0.00303919/step Wall: 12656.2, 0.00303919/step, 0.662375 hours remaining, 208.683594 MB of memory in use. ENERGY: 4215400 774.2527 2067.7132 1944.0200 106.3869 -206170.2481 17847.7712 0.0000 0.0000 34366.8659 -149063.2382 300.1344 -183430.1041 -148969.0821 300.2583 -43.5688 -14.2058 557816.1114 1.2604 1.0667 PRESSURE: 4215600 28.4902 37.0617 -72.9698 37.0608 -285.364 -115.835 -72.9691 -115.835 -167.07 GPRESSURE: 4215600 75.5633 93.1685 -73.9613 16.1034 -225.674 -56.3114 -43.0926 -124.133 -174.95 PRESSAVG: 4215600 5.29957 22.9506 3.19973 22.9505 10.9212 -28.6281 3.19979 -28.6281 -9.59556 GPRESSAVG: 4215600 3.95633 24.4893 3.20874 22.4114 11.6089 -27.8339 3.89502 -28.8299 -8.9186 TIMING: 4215600 CPU: 12656.8, 0.00304963/step Wall: 12656.8, 0.00304963/step, 0.66448 hours remaining, 208.683594 MB of memory in use. ENERGY: 4215600 733.4154 2102.7407 1949.9554 112.9548 -205828.2624 17565.2115 0.0000 0.0000 34381.8836 -148982.1010 300.2655 -183363.9846 -148880.4095 300.5930 -141.3145 -108.3535 558949.1823 2.2084 2.2155 PRESSURE: 4215800 -68.5548 -81.3841 -82.279 -81.3853 -257.056 216.77 -82.2795 216.771 -300.006 GPRESSURE: 4215800 -53.4718 -131.449 33.5244 -40.4558 -242.426 55.4871 -106.335 307.563 -231.735 PRESSAVG: 4215800 -32.0738 -4.37251 -8.6811 -4.37246 -32.6913 5.28107 -8.68114 5.28118 49.5714 GPRESSAVG: 4215800 -31.9352 -6.84658 -10.0739 -3.4659 -33.0463 3.65683 -7.24816 4.83977 50.02 TIMING: 4215800 CPU: 12657.5, 0.00306532/step Wall: 12657.5, 0.00306532/step, 0.667728 hours remaining, 208.683594 MB of memory in use. ENERGY: 4215800 736.4686 2108.6408 1935.4403 109.9819 -205669.8490 17377.3618 0.0000 0.0000 34423.0888 -148978.8667 300.6254 -183401.9556 -148880.9360 300.4184 -208.5390 -175.8776 558630.3949 -5.0646 -4.9872 PRESSURE: 4216000 -23.9443 91.4988 -65.5352 91.4997 -62.3628 -87.4386 -65.5343 -87.4384 24.3035 GPRESSURE: 4216000 -18.4079 95.3218 62.1 87.7628 -28.985 -93.5634 -30.4489 -114.699 85.5727 PRESSAVG: 4216000 15.0283 -4.59193 -38.9135 -4.59186 -8.22888 39.2448 -38.9135 39.2447 -14.9966 GPRESSAVG: 4216000 15.6636 -2.53686 -37.578 -5.29887 -9.53779 40.6932 -40.8038 39.9298 -13.7402 TIMING: 4216000 CPU: 12658.1, 0.00305512/step Wall: 12658.1, 0.00305512/step, 0.665336 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: 4216000 735.8632 2143.1667 1957.8334 103.9890 -206071.2233 17700.6735 0.0000 0.0000 34438.4292 -148991.2684 300.7594 -183429.6976 -148893.7796 300.6871 -20.6679 12.7266 558613.1466 -2.7324 -2.5382 PRESSURE: 4216200 98.9079 -50.4859 17.3209 -50.486 -255.652 -111.145 17.3208 -111.145 140.354 GPRESSURE: 4216200 96.8105 -70.8619 -64.4568 -68.3511 -163.658 -146.423 4.30037 -107.927 145.294 PRESSAVG: 4216200 -45.4645 39.2949 -22.2175 39.2948 43.6073 57.5337 -22.2176 57.5337 -45.6318 GPRESSAVG: 4216200 -44.1341 38.5423 -21.8832 40.511 44.53 55.6581 -21.1638 57.5846 -47.5082 TIMING: 4216200 CPU: 12658.7, 0.00304743/step Wall: 12658.7, 0.00304743/step, 0.663494 hours remaining, 208.683594 MB of memory in use. ENERGY: 4216200 735.8353 2128.9260 1920.6195 111.9544 -206052.1710 17760.3331 0.0000 0.0000 34478.3478 -148916.1548 301.1080 -183394.5026 -148818.9252 300.2394 -5.4633 26.1485 557413.4672 -15.8297 -15.7041 LDB: ============= START OF LOAD BALANCING ============== 12662.1 LDB: ============== END OF LOAD BALANCING =============== 12662.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12662.1 LDB: ============= START OF LOAD BALANCING ============== 12662.4 LDB: Largest compute 4820 load 0.023611 is 20.0% of average load 0.118117 LDB: Average compute 0.001723 is 1.5% of average load 0.118117 LDB: TIME 12662.4 LOAD: AVG 0.118117 MAX 0.222988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.723 MB LDB: TIME 12662.4 LOAD: AVG 0.118117 MAX 0.222988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.93 MB LDB: TIME 12662.4 LOAD: AVG 0.118117 MAX 0.222988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12662.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12662.4 PRESSURE: 4216400 44.5266 -179.074 -33.5406 -179.073 36.861 47.8774 -33.5398 47.8772 -86.0175 GPRESSURE: 4216400 45.7127 -243.281 -127.628 -159.632 123.973 112.859 -39.0537 33.5825 -81.6998 PRESSAVG: 4216400 5.59796 -44.5925 -45.4551 -44.5925 89.098 -1.87507 -45.4551 -1.87503 -67.0753 GPRESSAVG: 4216400 4.2106 -46.0721 -44.6072 -46.4588 90.1255 0.156055 -47.5908 0.0748197 -66.5132 TIMING: 4216400 CPU: 12659.3, 0.00308516/step Wall: 12659.3, 0.00308516/step, 0.671537 hours remaining, 207.980469 MB of memory in use. ENERGY: 4216400 751.8480 2149.5881 1927.0848 111.9210 -206388.5618 17887.8872 0.0000 0.0000 34469.7941 -149090.4385 301.0333 -183560.2327 -148991.7061 299.9798 -1.5433 29.3286 556409.8454 9.2069 9.2743 PRESSURE: 4216600 39.8469 19.4604 102.537 19.4618 -274.043 53.5871 102.538 53.5885 108.989 GPRESSURE: 4216600 76.9597 -26.0998 51.1952 58.5459 -265.568 74.7567 117.25 19.1323 155.822 PRESSAVG: 4216600 -48.1317 -1.27511 -3.84039 -1.27507 18.1692 23.1339 -3.8405 23.1339 16.1081 GPRESSAVG: 4216600 -46.7 0.452548 -2.87089 -1.21341 17.158 21.6245 -3.14537 23.4243 15.9413 TIMING: 4216600 CPU: 12659.9, 0.00306022/step Wall: 12659.9, 0.00306022/step, 0.665939 hours remaining, 208.050781 MB of memory in use. ENERGY: 4216600 756.0988 2066.3883 1942.8688 100.8778 -206343.1048 17832.4009 0.0000 0.0000 34358.1924 -149286.2778 300.0586 -183644.4701 -149189.8371 299.8276 -41.7355 -10.9287 557831.0588 -4.6182 -4.5336 PRESSURE: 4216800 -456.833 22.4951 44.5957 22.4944 -451.36 111.447 44.5953 111.448 -84.9684 GPRESSURE: 4216800 -410.241 -26.7697 70.4069 1.76699 -412.564 78.3724 139.595 38.0235 -84.8731 PRESSAVG: 4216800 -61.6983 40.3668 41.0564 40.3667 51.2893 18.9857 41.0564 18.9859 38.0036 GPRESSAVG: 4216800 -62.6976 40.8518 39.7664 40.0783 51.2999 19.4957 42.0631 16.3224 39.2814 TIMING: 4216800 CPU: 12660.5, 0.00304797/step Wall: 12660.5, 0.00304797/step, 0.663102 hours remaining, 208.050781 MB of memory in use. ENERGY: 4216800 762.7439 2037.3290 1972.1935 124.8847 -205589.5119 17499.4911 0.0000 0.0000 34192.1539 -149000.7158 298.6086 -183192.8698 -148907.8365 299.6045 -331.0538 -302.5593 559141.1554 9.1982 9.2945 PRESSURE: 4217000 -121.511 -33.7903 -80.0722 -33.7922 80.1815 -135.578 -80.0705 -135.578 187.613 GPRESSURE: 4217000 -64.8942 -74.0186 -52.7385 -9.77433 65.3831 -112.636 -52.0506 -203.315 253.16 PRESSAVG: 4217000 -64.9147 -2.25473 -19.1893 -2.25475 -22.6116 49.3979 -19.1893 49.3978 15.1329 GPRESSAVG: 4217000 -64.1291 -1.63769 -18.7533 -2.46892 -23.5523 48.2253 -19.573 51.3054 15.0719 TIMING: 4217000 CPU: 12661.1, 0.00302668/step Wall: 12661.1, 0.00302668/step, 0.658302 hours remaining, 208.050781 MB of memory in use. ENERGY: 4217000 720.8726 2086.1200 1925.5952 110.1244 -205864.2233 17751.5429 0.0000 0.0000 34262.7408 -149007.2273 299.2250 -183269.9681 -148902.2737 300.0586 48.7612 84.5496 558335.7556 -24.1311 -24.2031 PRESSURE: 4217200 -253.967 119.135 -41.2047 119.135 -214.858 61.2338 -41.2057 61.2344 -159.177 GPRESSURE: 4217200 -191.087 79.2213 -18.213 120.276 -251.298 36.6011 -69.2501 14.2423 -79.7602 PRESSAVG: 4217200 -32.4024 20.9515 -35.6302 20.9515 13.5057 41.1208 -35.6301 41.1208 6.34875 GPRESSAVG: 4217200 -32.1407 19.7053 -36.2695 21.1286 13.1937 43.2727 -36.8855 39.5073 5.86144 TIMING: 4217200 CPU: 12661.7, 0.00304763/step Wall: 12661.7, 0.00304763/step, 0.66269 hours remaining, 208.050781 MB of memory in use. ENERGY: 4217200 735.0779 2064.9070 1960.3817 107.4699 -205713.1855 17440.7856 0.0000 0.0000 34552.4783 -148852.0851 301.7554 -183404.5634 -148758.1424 299.9128 -209.3340 -174.0484 559765.1341 -4.1827 -4.3619 PRESSURE: 4217400 -225.923 162.149 65.8791 162.148 35.5196 -53.8959 65.8778 -53.8981 210.085 GPRESSURE: 4217400 -184.672 135.132 -40.1255 117.672 40.4325 -31.8325 130.316 -69.9744 263.532 PRESSAVG: 4217400 -80.4856 39.612 27.4145 39.612 106.395 23.2999 27.4146 23.2998 5.13706 GPRESSAVG: 4217400 -82.4636 39.94 29.2801 38.1679 107.206 22.1157 27.8641 24.5282 5.7477 TIMING: 4217400 CPU: 12662.4, 0.0030723/step Wall: 12662.4, 0.0030723/step, 0.667884 hours remaining, 208.050781 MB of memory in use. ENERGY: 4217400 761.9569 2061.7043 1968.2142 123.6001 -205849.3103 17682.8004 0.0000 0.0000 34484.2769 -148766.7575 301.1598 -183251.0345 -148664.5170 300.4520 6.5605 39.7641 559087.2659 10.3490 10.1635 PRESSURE: 4217600 -99.4804 144.265 2.82664 144.263 4.88623 -3.19117 2.82631 -3.19063 -184.938 GPRESSURE: 4217600 -55.1788 159.151 27.1414 89.5968 53.5175 -82.875 -14.0814 110.755 -168.895 PRESSAVG: 4217600 -20.813 22.2586 51.5318 22.2586 99.7169 11.7775 51.5318 11.7777 -2.80717 GPRESSAVG: 4217600 -19.5914 20.7939 52.0347 22.9058 99.6231 10.1094 52.6773 12.4359 -4.29701 TIMING: 4217600 CPU: 12663, 0.00305966/step Wall: 12663, 0.00305966/step, 0.664967 hours remaining, 208.050781 MB of memory in use. ENERGY: 4217600 758.9788 2086.5874 1966.9260 126.1594 -205707.8294 17484.9224 0.0000 0.0000 34518.7695 -148765.4859 301.4610 -183284.2553 -148677.4060 300.8914 -93.1774 -56.8521 557083.2252 25.3656 25.2449 PRESSURE: 4217800 -117.051 -33.0057 56.2117 -33.0052 -104.261 -139.49 56.2105 -139.49 -51.7399 GPRESSURE: 4217800 -54.3914 -120.933 92.8422 -39.1951 -82.418 -167.631 93.167 -186.16 -37.4238 PRESSAVG: 4217800 -57.9497 15.3044 13.4934 15.3044 32.5641 -29.2327 13.4934 -29.2327 9.41614 GPRESSAVG: 4217800 -58.2223 15.8586 12.3552 16.1664 31.4003 -28.9446 13.4892 -29.0824 11.2514 TIMING: 4217800 CPU: 12663.6, 0.00306941/step Wall: 12663.6, 0.00306941/step, 0.666915 hours remaining, 208.050781 MB of memory in use. ENERGY: 4217800 742.3743 2137.9878 1944.4717 110.9284 -205409.9711 17453.0672 0.0000 0.0000 34274.3278 -148746.8139 299.3262 -183021.1417 -148648.6125 300.5388 -91.0172 -58.0778 559356.7173 -5.3232 -5.1902 PRESSURE: 4218000 -119.74 -49.5066 -18.7218 -49.5069 184.787 -140.457 -18.7205 -140.458 101.029 GPRESSURE: 4218000 -21.0334 -105.04 -53.9734 -8.06941 177.475 -180.624 -3.53893 -47.1672 120.225 PRESSAVG: 4218000 33.8411 23.7869 -11.7811 23.787 -3.13086 7.53791 -11.781 7.53779 6.80115 GPRESSAVG: 4218000 33.211 24.3588 -11.546 21.6442 -1.68392 6.62462 -11.2908 9.24401 5.69365 TIMING: 4218000 CPU: 12664.2, 0.00306601/step Wall: 12664.2, 0.00306601/step, 0.666005 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: 4218000 736.1033 2098.8125 1955.1415 111.4347 -205750.3101 17766.3024 0.0000 0.0000 34249.7713 -148832.7443 299.1118 -183082.5157 -148740.9314 300.5760 55.3588 92.2223 558043.3068 12.5038 12.4069 PRESSURE: 4218200 -142.042 -133.069 -249.043 -133.068 -104.591 225.712 -249.042 225.711 -72.1149 GPRESSURE: 4218200 -148.588 -159.273 -267.122 -139.046 -7.26748 232.1 -191.702 206.832 -57.8074 PRESSAVG: 4218200 -26.7595 -1.92609 -75.9444 -1.92611 23.7109 39.5106 -75.9443 39.5107 18.2091 GPRESSAVG: 4218200 -26.8002 -3.27193 -76.1819 -0.297529 22.7525 41.4623 -75.7438 38.6517 19.1409 TIMING: 4218200 CPU: 12664.8, 0.00309205/step Wall: 12664.8, 0.00309205/step, 0.67149 hours remaining, 208.050781 MB of memory in use. ENERGY: 4218200 727.6600 2122.0914 1962.7596 130.2702 -205523.0026 17632.5046 0.0000 0.0000 34390.9142 -148556.8027 300.3444 -182947.7169 -148461.1199 300.6884 -106.2494 -71.2210 558286.3402 5.0535 5.0311 PRESSURE: 4218400 -66.3134 48.2257 -26.986 48.2247 -127.526 -40.6696 -26.9856 -40.67 -269.845 GPRESSURE: 4218400 -54.4959 45.3156 -38.776 -5.91391 -107.208 -78.2323 22.4842 10.2328 -198.821 PRESSAVG: 4218400 -97.9249 2.72975 16.4778 2.72975 40.2316 -0.716062 16.4778 -0.716175 19.624 GPRESSAVG: 4218400 -97.2252 2.69902 17.5044 2.56193 40.2745 -2.66188 14.8958 -2.02196 19.1171 TIMING: 4218400 CPU: 12665.4, 0.00307558/step Wall: 12665.4, 0.00307558/step, 0.667742 hours remaining, 208.050781 MB of memory in use. ENERGY: 4218400 735.3341 2107.1212 1962.2125 122.4554 -205240.7048 17422.1568 0.0000 0.0000 34423.2789 -148468.1460 300.6271 -182891.4249 -148373.2106 301.3344 -154.5615 -120.1752 559556.7190 -12.6898 -12.6112 PRESSURE: 4218600 -55.5906 202.645 158.12 202.644 84.2931 -50.4208 158.118 -50.4217 208.475 GPRESSURE: 4218600 -38.1536 187.264 98.4702 160.68 209.987 -24.0858 166.881 -100.503 174.236 PRESSAVG: 4218600 -43.6243 -28.8683 24.3403 -28.8684 -14.439 -35.5568 24.3404 -35.5568 37.6759 GPRESSAVG: 4218600 -43.6657 -27.5216 23.0179 -30.4211 -14.0162 -33.0443 23.1988 -36.1949 37.895 TIMING: 4218600 CPU: 12666, 0.00310348/step Wall: 12666, 0.00310348/step, 0.673627 hours remaining, 208.050781 MB of memory in use. ENERGY: 4218600 778.8941 2093.7477 1953.2619 122.6653 -205446.9192 17647.8354 0.0000 0.0000 34529.2179 -148321.2969 301.5522 -182850.5148 -148220.2679 301.0930 79.0590 115.3565 556565.0289 -6.7958 -6.5956 PRESSURE: 4218800 -200.798 11.4038 15.8827 11.4037 116.984 21.0217 15.8814 21.0224 -232.628 GPRESSURE: 4218800 -150.813 6.7981 -48.9484 23.6761 152.32 9.1724 20.6145 -24.3934 -216.3 PRESSAVG: 4218800 -28.4944 -45.1064 59.9423 -45.1064 1.24631 -15.8738 59.9423 -15.8737 -14.1797 GPRESSAVG: 4218800 -27.8455 -44.3709 57.4564 -43.3256 1.72704 -18.607 63.561 -15.8763 -15.4668 TIMING: 4218800 CPU: 12666.7, 0.00305834/step Wall: 12666.7, 0.00305834/step, 0.66366 hours remaining, 208.050781 MB of memory in use. ENERGY: 4218800 711.1746 2088.6163 1968.5764 111.8873 -204881.2864 17265.6332 0.0000 0.0000 34459.6603 -148275.7384 300.9448 -182735.3986 -148190.6947 301.5018 -105.4805 -71.5975 558359.9452 -13.8093 -13.8618 PRESSURE: 4219000 22.9134 168.32 -269.453 168.321 -130.28 81.285 -269.452 81.2844 -107.173 GPRESSURE: 4219000 28.5423 176.144 -237.741 149.439 -79.2247 139.664 -236.305 59.4351 -62.8959 PRESSAVG: 4219000 -31.3905 -10.3323 57.5819 -10.3323 -5.63167 -47.4056 57.5819 -47.4056 24.4883 GPRESSAVG: 4219000 -32.5865 -11.5712 60.5391 -9.19273 -4.92545 -48.2091 57.0306 -46.882 25.3978 TIMING: 4219000 CPU: 12667.3, 0.00303406/step Wall: 12667.3, 0.00303406/step, 0.658221 hours remaining, 208.050781 MB of memory in use. ENERGY: 4219000 722.9210 2122.0988 1941.9255 106.2283 -205611.6156 17565.9877 0.0000 0.0000 34669.2063 -148483.2481 302.7748 -183152.4544 -148388.3891 301.3302 -71.5132 -37.8594 557783.3359 -4.1779 -4.0381 PRESSURE: 4219200 36.0477 81.6104 62.4866 81.6091 -94.0435 -138.257 62.4868 -138.258 210.22 GPRESSURE: 4219200 95.9405 42.744 49.1143 44.6478 -74.4278 -117.491 88.1875 -81.8641 228.363 PRESSAVG: 4219200 -40.4648 34.4741 29.8168 34.4741 29.3269 14.1744 29.8167 14.1744 10.9052 GPRESSAVG: 4219200 -40.0278 36.1731 28.8257 29.6877 28.7741 16.927 29.0938 14.0279 11.387 TIMING: 4219200 CPU: 12667.9, 0.00302487/step Wall: 12667.9, 0.00302487/step, 0.65606 hours remaining, 208.050781 MB of memory in use. ENERGY: 4219200 727.8571 2116.2505 1947.3761 112.5202 -205845.1610 17864.7044 0.0000 0.0000 34481.3547 -148595.0979 301.1342 -183076.4526 -148493.8437 300.7672 50.7413 83.2919 558049.3337 -0.0775 0.0444 PRESSURE: 4219400 -54.0426 -169.286 235.907 -169.287 104.011 -6.35687 235.907 -6.35874 -320.902 GPRESSURE: 4219400 -47.2211 -100.683 150.426 -193.227 88.8912 48.576 214.559 -29.5523 -224.638 PRESSAVG: 4219400 10.2431 -19.7239 47.0923 -19.7238 -16.0965 -6.65037 47.0924 -6.6503 24.2455 GPRESSAVG: 4219400 10.46 -20.3678 49.0036 -16.9037 -15.6674 -8.26016 44.9817 -6.81818 24.0595 TIMING: 4219400 CPU: 12668.5, 0.00302931/step Wall: 12668.5, 0.00302931/step, 0.656854 hours remaining, 208.050781 MB of memory in use. ENERGY: 4219400 804.9889 2114.6293 1923.8303 118.7969 -205537.0493 17489.3864 0.0000 0.0000 34483.0530 -148602.3645 301.1491 -183085.4176 -148511.9887 300.7526 -90.3110 -60.9893 557229.7223 6.1307 6.2840 PRESSURE: 4219600 -239.083 102.297 -0.0354055 102.296 23.0462 -133.486 -0.0354765 -133.485 -266.56 GPRESSURE: 4219600 -174.782 105.746 52.8923 42.0935 12.1581 -125.302 -62.5509 -81.5369 -217.803 PRESSAVG: 4219600 -5.28134 19.9011 13.72 19.9011 -7.60165 14.7452 13.7201 14.7453 0.429387 GPRESSAVG: 4219600 -5.60159 20.1381 12.4107 19.3266 -7.36154 14.9006 15.2039 14.8036 -0.0201074 TIMING: 4219600 CPU: 12669.1, 0.00305712/step Wall: 12669.1, 0.00305712/step, 0.662715 hours remaining, 208.050781 MB of memory in use. ENERGY: 4219600 745.8261 2062.3881 1941.5859 107.2556 -205449.2921 17351.0872 0.0000 0.0000 34542.7407 -148698.4085 301.6703 -183241.1492 -148600.1225 300.7160 -160.8656 -126.8089 558894.1897 -4.1512 -4.3277 PRESSURE: 4219800 -181.544 -32.7726 -17.1798 -32.7716 -207.551 52.7122 -17.1787 52.7115 -27.4318 GPRESSURE: 4219800 -181.499 -47.0288 -38.6549 6.29874 -119.569 118.514 -4.39635 -58.8148 -14.8769 PRESSAVG: 4219800 45.089 -15.3444 5.68821 -15.3444 -41.1475 25.729 5.68816 25.729 -16.8664 GPRESSAVG: 4219800 44.7431 -16.1905 5.10486 -12.3419 -40.8497 26.7494 6.12661 26.2817 -16.6361 TIMING: 4219800 CPU: 12669.7, 0.00304088/step Wall: 12669.7, 0.00304088/step, 0.659026 hours remaining, 208.050781 MB of memory in use. ENERGY: 4219800 721.8067 2041.2248 1954.6221 112.0302 -205536.1171 17348.6440 0.0000 0.0000 34387.5388 -148970.2505 300.3149 -183357.7893 -148875.9978 300.4034 -138.8424 -105.3147 556628.5084 -4.3083 -4.2476 PRESSURE: 4220000 -98.6122 -65.4393 14.9426 -65.4398 -242.032 83.5727 14.9425 83.5734 -93.0517 GPRESSURE: 4220000 -13.0758 -64.7005 -46.5795 28.9954 -271.716 3.41623 59.5509 126.757 -60.158 PRESSAVG: 4220000 43.1303 -18.155 -37.6375 -18.1551 -20.9049 22.5583 -37.6376 22.5584 25.8224 GPRESSAVG: 4220000 43.834 -17.368 -38.3674 -18.9262 -22.5667 21.6217 -37.4385 21.065 26.5139 TIMING: 4220000 CPU: 12670.3, 0.00306769/step Wall: 12670.3, 0.00306769/step, 0.664666 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: 4220000 736.9029 2028.2854 1922.3680 114.3359 -205812.4590 17589.3166 0.0000 0.0000 34343.7630 -149077.4872 299.9326 -183421.2502 -148977.7282 300.1324 -144.5654 -114.9834 557585.5619 16.0159 15.9271 PRESSURE: 4220200 -182.586 253.514 8.97958 253.514 -162.646 -5.17636 8.97965 -5.17631 -155.136 GPRESSURE: 4220200 -107.246 150.063 -5.39289 331.771 -155.179 52.7719 -47.0641 -21.0593 -143.328 PRESSAVG: 4220200 16.9925 8.60036 -19.7725 8.60039 -14.8748 -6.5522 -19.7726 -6.55209 -27.204 GPRESSAVG: 4220200 17.3285 7.46872 -17.7398 9.40853 -14.0255 -8.17576 -20.2198 -4.42528 -28.1838 TIMING: 4220200 CPU: 12670.9, 0.0030802/step Wall: 12670.9, 0.0030802/step, 0.667205 hours remaining, 208.050781 MB of memory in use. ENERGY: 4220200 733.3014 2098.0138 1960.9236 127.1423 -205970.3183 17621.1377 0.0000 0.0000 34307.9732 -149121.8264 299.6201 -183429.7995 -149031.8769 299.5844 -166.7894 -135.2511 556330.4839 -8.3621 -8.2936 LDB: ============= START OF LOAD BALANCING ============== 12674.4 LDB: ============== END OF LOAD BALANCING =============== 12674.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12674.4 LDB: ============= START OF LOAD BALANCING ============== 12674.7 LDB: Largest compute 4820 load 0.024220 is 20.5% of average load 0.118150 LDB: Average compute 0.001720 is 1.5% of average load 0.118150 LDB: TIME 12674.7 LOAD: AVG 0.11815 MAX 0.224511 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.785 MB LDB: TIME 12674.7 LOAD: AVG 0.11815 MAX 0.224511 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.785 MB LDB: TIME 12674.7 LOAD: AVG 0.11815 MAX 0.224511 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.785 MB LDB: ============== END OF LOAD BALANCING =============== 12674.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12674.7 PRESSURE: 4220400 -185.609 -71.6924 -19.9307 -71.6911 -43.3777 -24.3526 -19.9313 -24.3518 -149.007 GPRESSURE: 4220400 -145.321 -118.409 13.6924 -109.443 38.8985 -51.0745 18.3584 -70.9719 -167.655 PRESSAVG: 4220400 -39.655 5.74511 6.24941 5.74508 41.0177 -8.85038 6.24941 -8.85033 -29.4943 GPRESSAVG: 4220400 -40.3596 7.1072 4.03048 4.75778 40.8904 -6.61707 8.61839 -11.0383 -28.7986 TIMING: 4220400 CPU: 12671.5, 0.00313056/step Wall: 12671.5, 0.00313056/step, 0.67794 hours remaining, 208.289062 MB of memory in use. ENERGY: 4220400 762.6688 2110.9283 1941.9027 116.3195 -205945.0508 17488.0458 0.0000 0.0000 34312.3681 -149212.8177 299.6584 -183525.1857 -149115.3400 299.2278 -125.9978 -91.3592 556872.0203 -9.3772 -9.4226 PRESSURE: 4220600 -230.396 82.0153 -9.41212 82.0158 -35.4592 46.7642 -9.41232 46.7631 -163.771 GPRESSURE: 4220600 -200.761 115.205 18.4559 77.4775 -40.575 3.47596 -45.4064 19.4974 -72.2022 PRESSAVG: 4220600 82.1034 -29.8901 40.5842 -29.8901 7.26548 -11.6498 40.5841 -11.6499 -73.6947 GPRESSAVG: 4220600 82.5134 -30.7257 40.5942 -28.725 6.73032 -12.4111 39.5661 -11.579 -73.5426 TIMING: 4220600 CPU: 12672.2, 0.00304063/step Wall: 12672.2, 0.00304063/step, 0.658297 hours remaining, 208.492188 MB of memory in use. ENERGY: 4220600 704.3943 2089.1059 1942.5417 122.3422 -205997.1248 17539.9987 0.0000 0.0000 34527.4425 -149071.2995 301.5367 -183598.7420 -148971.5889 299.9536 -143.2088 -104.5127 558979.6913 5.2247 5.2337 PRESSURE: 4220800 -286.67 10.4754 -78.669 10.4753 9.13861 -65.5282 -78.6699 -65.5298 -198.433 GPRESSURE: 4220800 -231.136 -134.425 -122.871 79.7968 85.6226 -41.5473 -122.303 -84.2554 -234.47 PRESSAVG: 4220800 -13.878 -50.0239 -12.2388 -50.0239 39.1937 29.2974 -12.2388 29.2972 -14.7403 GPRESSAVG: 4220800 -12.5557 -48.9529 -12.7307 -51.6578 39.0124 29.391 -12.0098 29.397 -15.435 TIMING: 4220800 CPU: 12672.8, 0.00304342/step Wall: 12672.8, 0.00304342/step, 0.658732 hours remaining, 208.492188 MB of memory in use. ENERGY: 4220800 726.0267 2094.1906 1930.4130 125.1914 -205930.0296 17550.4082 0.0000 0.0000 34523.5033 -148980.2964 301.5023 -183503.7997 -148881.0921 299.8373 -158.6549 -126.6612 556726.4275 3.5251 3.6739 PRESSURE: 4221000 94.2932 -109.202 53.8217 -109.202 76.7688 45.5583 53.8207 45.5605 18.0755 GPRESSURE: 4221000 136.036 -134.365 94.0139 -56.5795 115.397 19.6395 38.6261 59.6531 44.7258 PRESSAVG: 4221000 -40.4833 9.78727 -47.5399 9.78735 57.5908 31.5254 -47.5399 31.5253 -0.150998 GPRESSAVG: 4221000 -41.3746 10.0088 -44.3195 11.4156 58.1593 31.1812 -50.5218 30.1248 1.3029 TIMING: 4221000 CPU: 12673.4, 0.00305112/step Wall: 12673.4, 0.00305112/step, 0.660229 hours remaining, 208.691406 MB of memory in use. ENERGY: 4221000 726.4694 2103.0626 1922.7258 112.0409 -206030.1842 17845.9968 0.0000 0.0000 34220.9712 -149098.9174 298.8603 -183319.8886 -149002.8063 299.5991 63.0458 98.7195 556784.9491 5.6522 6.0292 PRESSURE: 4221200 243.132 -20.9218 -100.139 -20.9208 -25.7484 -34.1682 -100.137 -34.1683 151.34 GPRESSURE: 4221200 272.696 -60.2698 -144.256 -125.569 -3.22824 -17.3437 -76.9397 -6.49139 196.096 PRESSAVG: 4221200 -2.97258 29.0496 38.2701 29.0496 0.635604 -21.9619 38.2703 -21.9619 -4.90527 GPRESSAVG: 4221200 -2.33165 29.1393 36.0951 29.3469 -0.396854 -22.9849 39.2533 -21.8733 -4.64121 TIMING: 4221200 CPU: 12674, 0.00306804/step Wall: 12674, 0.00306804/step, 0.663718 hours remaining, 208.691406 MB of memory in use. ENERGY: 4221200 770.3114 2116.6273 1950.3509 115.1076 -206563.2138 18282.3573 0.0000 0.0000 34256.7148 -149071.7443 299.1724 -183328.4591 -148974.2989 299.6818 122.9078 155.1880 557227.3742 -2.4141 -2.4566 PRESSURE: 4221400 -162.043 -125.891 18.7537 -125.891 -87.0136 28.4238 18.7537 28.4247 -54.9097 GPRESSURE: 4221400 -43.7845 -62.826 -2.47287 -105.842 -48.6953 81.2148 79.2272 54.8267 -113.072 PRESSAVG: 4221400 -63.1984 -19.2337 32.9065 -19.2337 -1.77496 1.07231 32.9065 1.07232 29.0994 GPRESSAVG: 4221400 -62.4006 -18.7626 32.8089 -20.8944 0.821666 0.793917 33.3522 4.40067 26.3522 TIMING: 4221400 CPU: 12674.6, 0.00303563/step Wall: 12674.6, 0.00303563/step, 0.65654 hours remaining, 208.691406 MB of memory in use. ENERGY: 4221400 706.4357 2070.7124 1950.3320 109.3531 -205599.0746 17502.6482 0.0000 0.0000 34228.5041 -149031.0892 298.9260 -183259.5932 -148931.7032 299.3333 -101.3222 -68.5174 559087.6137 -11.9580 -11.7422 PRESSURE: 4221600 -21.2979 91.5872 62.4915 91.5871 -34.1268 -8.94835 62.4904 -8.95034 -79.7858 GPRESSURE: 4221600 -20.5652 127.775 28.4413 26.2581 29.6211 -108.696 86.0621 41.6392 -50.1185 PRESSAVG: 4221600 5.99502 -5.47488 -1.72247 -5.47496 0.859051 -34.4382 -1.72254 -34.4382 -0.25741 GPRESSAVG: 4221600 6.56233 -8.27817 -1.61389 -4.24265 -1.40196 -32.9507 -1.71486 -35.5579 1.50403 TIMING: 4221600 CPU: 12675.2, 0.00302156/step Wall: 12675.2, 0.00302156/step, 0.653327 hours remaining, 208.691406 MB of memory in use. ENERGY: 4221600 747.4364 2073.2473 1944.7837 105.3226 -206365.9458 17792.8079 0.0000 0.0000 34445.9737 -149256.3743 300.8253 -183702.3480 -149164.7339 300.0668 -45.0702 -13.6875 555938.5304 2.1989 2.2215 PRESSURE: 4221800 -67.2716 -12.4176 -84.0157 -12.4177 7.48731 21.7595 -84.0157 21.7592 99.7622 GPRESSURE: 4221800 -10.3346 -78.3104 -81.3665 -25.2526 34.2069 23.2072 -148.703 -29.5671 113.947 PRESSAVG: 4221800 -57.3341 40.329 -2.39587 40.329 4.50445 -67.4482 -2.39589 -67.4482 27.2498 GPRESSAVG: 4221800 -58.1233 42.2756 -3.13265 39.9021 4.81309 -68.0208 -1.5455 -66.8167 27.0431 TIMING: 4221800 CPU: 12675.8, 0.00303364/step Wall: 12675.8, 0.00303364/step, 0.655771 hours remaining, 208.691406 MB of memory in use. ENERGY: 4221800 743.6803 2029.5981 1919.0545 113.7991 -206201.4838 17873.9861 0.0000 0.0000 34308.3718 -149212.9938 299.6235 -183521.3656 -149109.1933 299.7241 13.3260 45.9396 556582.1804 -8.5266 -8.7557 PRESSURE: 4222000 -310.724 26.9613 132.751 26.9609 -443.244 96.3127 132.75 96.3113 10.5792 GPRESSURE: 4222000 -260.722 93.0281 144.14 -28.5514 -400.861 154.918 155.968 -20.3754 12.0678 PRESSAVG: 4222000 -34.0635 5.92754 -8.19765 5.9276 15.6316 -16.701 -8.19766 -16.701 48.4465 GPRESSAVG: 4222000 -34.1181 6.24532 -8.5994 6.22423 16.015 -16.2239 -8.89772 -18.0762 48.4677 TIMING: 4222000 CPU: 12676.4, 0.0030357/step Wall: 12676.4, 0.0030357/step, 0.656048 hours remaining, 208.691406 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: 4222000 760.6520 2058.3703 1957.4401 112.6705 -205598.0719 17388.7435 0.0000 0.0000 34112.9324 -149207.2632 297.9167 -183320.1956 -149107.1211 299.4308 -247.7964 -216.5050 558906.0426 10.0049 10.1215 PRESSURE: 4222200 11.7579 -17.1933 62.2396 -17.1923 -107.448 -114.237 62.2387 -114.238 23.6196 GPRESSURE: 4222200 50.2561 -65.7921 69.0451 14.2413 -65.7559 7.59649 82.7315 -93.9525 42.6782 PRESSAVG: 4222200 -69.4834 -50.314 -17.7271 -50.314 33.4727 -0.238311 -17.7271 -0.238431 52.3881 GPRESSAVG: 4222200 -70.0603 -51.3204 -16.2712 -51.354 33.617 -0.157923 -16.5501 1.32694 53.0794 TIMING: 4222200 CPU: 12677, 0.00305514/step Wall: 12677, 0.00305514/step, 0.660081 hours remaining, 208.691406 MB of memory in use. ENERGY: 4222200 771.4445 2104.6735 1946.8472 125.2300 -206368.0194 17897.0115 0.0000 0.0000 34259.8075 -149263.0052 299.1994 -183522.8127 -149166.7946 298.7569 -24.0235 9.0595 557398.0544 5.4591 5.5454 PRESSURE: 4222400 -279.266 -97.438 204.774 -97.4375 21.648 -49.4889 204.774 -49.4889 -409.268 GPRESSURE: 4222400 -214.662 -133.283 218.495 -21.8949 20.2544 -55.6482 175.819 -81.1303 -374.147 PRESSAVG: 4222400 -24.5454 -51.2317 51.6589 -51.2317 12.6355 35.9477 51.6589 35.9478 2.23135 GPRESSAVG: 4222400 -23.4322 -50.2334 52.5144 -49.565 12.4764 35.569 50.3277 35.0717 1.33364 TIMING: 4222400 CPU: 12677.6, 0.00306471/step Wall: 12677.6, 0.00306471/step, 0.661978 hours remaining, 208.691406 MB of memory in use. ENERGY: 4222400 769.9708 2095.4769 1912.5680 114.6358 -206158.1524 17516.6094 0.0000 0.0000 34457.8911 -149291.0005 300.9293 -183748.8916 -149194.4243 299.0887 -222.2955 -189.5181 556137.5787 -3.2262 -3.2074 PRESSURE: 4222600 150.344 157.734 -41.9122 157.733 -30.0533 132.162 -41.9123 132.163 -126.705 GPRESSURE: 4222600 157.34 150.381 -40.2592 93.8962 -41.2553 178.357 -57.2201 130.569 -25.6352 PRESSAVG: 4222600 20.9055 40.2709 38.556 40.2709 30.8613 -0.396857 38.556 -0.396908 -31.8175 GPRESSAVG: 4222600 19.9828 42.0722 37.8438 37.8898 30.5594 -0.0919589 39.0286 1.41657 -30.0915 TIMING: 4222600 CPU: 12678.2, 0.00304838/step Wall: 12678.2, 0.00304838/step, 0.658281 hours remaining, 208.691406 MB of memory in use. ENERGY: 4222600 788.5199 2106.4849 1958.2025 115.3915 -206199.9127 17771.3057 0.0000 0.0000 34238.4814 -149221.5269 299.0132 -183460.0083 -149117.7498 299.4244 -2.1381 30.1498 556036.0386 6.6498 6.8169 PRESSURE: 4222800 -365.98 -41.4805 5.90488 -41.4797 156.275 -158.135 5.90355 -158.135 -366.536 GPRESSURE: 4222800 -313.458 4.36779 10.3247 -57.2608 162.5 -221.236 44.3126 -163.099 -301.147 PRESSAVG: 4222800 4.373 -3.94087 -1.12127 -3.94082 61.3357 -6.52138 -1.12122 -6.52155 -46.5502 GPRESSAVG: 4222800 5.05711 -6.36783 -0.650257 -2.58776 61.3225 -7.04823 -1.6381 -7.83917 -47.625 TIMING: 4222800 CPU: 12678.9, 0.00300819/step Wall: 12678.9, 0.00300819/step, 0.649434 hours remaining, 208.828125 MB of memory in use. ENERGY: 4222800 745.3251 2130.9089 1947.4118 118.0158 -206065.6295 17786.0900 0.0000 0.0000 34275.4889 -149062.3890 299.3364 -183337.8779 -148962.4996 299.6070 -192.0802 -150.7017 558419.6533 6.3862 6.2515 PRESSURE: 4223000 -82.1836 58.4579 -233.592 58.4565 -33.2952 -22.427 -233.591 -22.4263 -33.2218 GPRESSURE: 4223000 -37.8416 125.17 -159.206 9.66097 -34.7687 -33.0796 -253.992 -17.8664 20.0613 PRESSAVG: 4223000 74.4347 36.2394 -62.9459 36.2394 8.84068 -53.9451 -62.946 -53.9452 -71.9544 GPRESSAVG: 4223000 75.294 38.1243 -63.1397 35.0276 8.92037 -53.3026 -62.8395 -54.1413 -72.5061 TIMING: 4223000 CPU: 12679.5, 0.00302062/step Wall: 12679.5, 0.00302062/step, 0.65195 hours remaining, 208.828125 MB of memory in use. ENERGY: 4223000 743.2705 2111.3132 1947.3601 104.5333 -206155.6785 17654.1117 0.0000 0.0000 34359.3320 -149235.7576 300.0686 -183595.0896 -149128.6214 299.8480 -49.5669 -17.5164 556559.6765 3.7737 3.9028 PRESSURE: 4223200 -27.4102 33.7183 151.835 33.7179 -251.136 40.5718 151.835 40.5724 -48.1209 GPRESSURE: 4223200 34.8693 111.093 136.838 3.41418 -213.687 30.5143 116.585 169.414 -47.9903 PRESSAVG: 4223200 54.2 -10.1349 -61.0476 -10.1349 27.7622 -1.44995 -61.0477 -1.45 -54.1571 GPRESSAVG: 4223200 53.376 -13.0623 -59.7101 -9.57938 28.6606 -1.54792 -61.7629 -0.543374 -53.9884 TIMING: 4223200 CPU: 12680.1, 0.00303047/step Wall: 12680.1, 0.00303047/step, 0.653908 hours remaining, 208.828125 MB of memory in use. ENERGY: 4223200 771.0354 2117.8534 1925.3215 113.7330 -205895.5529 17526.0952 0.0000 0.0000 34150.7439 -149290.7705 298.2469 -183441.5145 -149200.5512 298.4141 -108.8889 -75.6026 555836.6500 9.2684 9.3494 PRESSURE: 4223400 13.6703 -7.11354 49.7749 -7.11395 -128.886 118.043 49.7747 118.045 -97.0029 GPRESSURE: 4223400 13.1548 -8.12405 81.0238 46.7402 -53.4889 33.3178 -25.8931 127.21 -75.2775 PRESSAVG: 4223400 30.7186 51.7843 -1.12267 51.7842 -18.8577 48.6615 -1.12261 48.6615 -26.32 GPRESSAVG: 4223400 29.1467 54.7361 -3.04127 53.2292 -19.4992 49.7287 -0.896611 46.0766 -23.9661 TIMING: 4223400 CPU: 12680.7, 0.00307182/step Wall: 12680.7, 0.00307182/step, 0.66266 hours remaining, 208.828125 MB of memory in use. ENERGY: 4223400 761.6161 2105.8357 1949.0189 104.0144 -206021.4390 17654.5333 0.0000 0.0000 34220.7178 -149225.7029 298.8580 -183446.4207 -149125.4884 298.6067 -70.7394 -38.5372 556705.2139 -4.8197 -4.7728 PRESSURE: 4223600 114.627 -24.9584 -47.0905 -24.9581 -29.2218 -96.8723 -47.0915 -96.8705 104.157 GPRESSURE: 4223600 171.398 -73.1443 -19.5793 -79.4779 28.9227 -90.4763 -38.7634 -56.2436 81.9118 PRESSAVG: 4223600 38.4628 1.06524 -18.5796 1.06531 -27.0577 27.1186 -18.5796 27.1186 -39.862 GPRESSAVG: 4223600 40.5463 -0.0970591 -16.8876 -0.619177 -27.0525 26.4381 -18.9252 28.289 -41.4927 TIMING: 4223600 CPU: 12681.3, 0.00306209/step Wall: 12681.3, 0.00306209/step, 0.66039 hours remaining, 208.828125 MB of memory in use. ENERGY: 4223600 741.6075 2121.4506 1949.9969 111.6216 -206203.6959 17756.7878 0.0000 0.0000 34222.9476 -149299.2839 298.8775 -183522.2315 -149215.1865 299.2324 63.1875 94.0776 556423.9559 -9.4856 -9.3330 PRESSURE: 4223800 218.196 -72.263 -250.056 -72.263 216.485 -43.675 -250.057 -43.6741 7.24374 GPRESSURE: 4223800 176.664 -89.0914 -279.594 -66.4262 282.195 -68.7646 -240.286 -14.3945 94.135 PRESSAVG: 4223800 48.9427 -3.74907 -31.3098 -3.74899 63.0753 4.45361 -31.3098 4.45369 -76.037 GPRESSAVG: 4223800 48.6878 -4.53247 -32.6125 -2.03583 63.6462 4.9593 -31.1463 5.09523 -76.4008 TIMING: 4223800 CPU: 12681.9, 0.00303826/step Wall: 12681.9, 0.00303826/step, 0.655082 hours remaining, 208.828125 MB of memory in use. ENERGY: 4223800 753.2264 2119.1692 1937.0134 104.7577 -206158.2782 17884.9617 0.0000 0.0000 34218.5280 -149140.6219 298.8389 -183359.1500 -149045.6441 299.5266 147.3081 184.3312 556305.0275 11.9937 11.9778 PRESSURE: 4224000 201.33 81.4954 -6.34246 81.4953 288.476 -45.9303 -6.34158 -45.9297 -108.799 GPRESSURE: 4224000 215.272 26.5125 51.8579 115.581 301.684 -18.3506 2.04663 -50.5644 -37.9496 PRESSAVG: 4224000 62.7785 18.906 1.66442 18.9059 -10.1516 -6.72165 1.66442 -6.72166 -53.1999 GPRESSAVG: 4224000 62.8762 17.948 1.24179 18.3816 -10.7823 -9.01174 3.82116 -5.5496 -52.9881 TIMING: 4224000 CPU: 12682.5, 0.00305865/step Wall: 12682.5, 0.00305865/step, 0.65931 hours remaining, 208.828125 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: 4224000 735.7345 2052.5833 1939.9962 111.4519 -206524.1794 18071.4335 0.0000 0.0000 34254.4278 -149358.5522 299.1524 -183612.9800 -149262.9290 299.2868 127.0024 159.6688 555703.1719 -0.1910 -0.2981 PRESSURE: 4224200 34.8473 -100.943 -30.3677 -100.943 21.8361 -35.4598 -30.3688 -35.4599 -359.205 GPRESSURE: 4224200 66.3793 -95.5122 -83.621 -128.885 9.15196 -67.0607 34.8611 121.29 -286.748 PRESSAVG: 4224200 1.14846 3.89834 0.929077 3.89832 13.2649 -25.6857 0.928992 -25.6857 18.4589 GPRESSAVG: 4224200 1.52149 5.74925 2.71726 3.0699 13.5601 -22.7452 -1.07386 -29.151 18.613 TIMING: 4224200 CPU: 12683.1, 0.00308006/step Wall: 12683.1, 0.00308006/step, 0.663753 hours remaining, 208.828125 MB of memory in use. ENERGY: 4224200 735.2896 2044.4200 1902.5901 98.6845 -205791.6281 17486.1786 0.0000 0.0000 34307.9457 -149216.5198 299.6198 -183524.4655 -149112.5758 299.3414 -100.8405 -70.4056 557053.1632 10.9574 11.2315 LDB: ============= START OF LOAD BALANCING ============== 12686.6 LDB: ============== END OF LOAD BALANCING =============== 12686.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12686.6 LDB: ============= START OF LOAD BALANCING ============== 12686.9 LDB: Largest compute 4820 load 0.022654 is 19.2% of average load 0.118141 LDB: Average compute 0.001720 is 1.5% of average load 0.118141 LDB: TIME 12686.9 LOAD: AVG 0.118141 MAX 0.225766 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.586 MB LDB: TIME 12686.9 LOAD: AVG 0.118141 MAX 0.225766 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.828 MB LDB: TIME 12686.9 LOAD: AVG 0.118141 MAX 0.225766 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.828 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12686.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12686.9 PRESSURE: 4224400 259.272 4.35216 -54.0404 4.35141 57.6952 -10.781 -54.0412 -10.7819 -41.0656 GPRESSURE: 4224400 284.629 64.7774 58.2719 -86.2942 109.473 8.19912 -102.113 -103.679 -22.9432 PRESSAVG: 4224400 7.04071 62.908 -31.4585 62.9081 56.0026 -1.44854 -31.4585 -1.44853 -50.9053 GPRESSAVG: 4224400 6.38505 62.1855 -30.6079 63.6628 56.3852 -2.73871 -32.7282 -0.0046479 -50.3769 TIMING: 4224400 CPU: 12683.7, 0.00313442/step Wall: 12683.7, 0.00313442/step, 0.675294 hours remaining, 207.773438 MB of memory in use. ENERGY: 4224400 724.2473 2088.9678 1953.3454 114.4609 -206259.9504 17977.5640 0.0000 0.0000 34157.6475 -149243.7177 298.3072 -183401.3652 -149141.4012 299.4817 91.9672 123.7195 557379.1783 4.0460 4.1311 PRESSURE: 4224600 -132.204 -8.66501 116.297 -8.66463 -206.274 22.4922 116.296 22.491 -191.225 GPRESSURE: 4224600 -70.6939 -44.8212 158.685 -13.3483 -181.816 36.8582 37.0089 44.0318 -175.647 PRESSAVG: 4224600 15.9917 4.63545 -18.6176 4.63551 45.1954 -3.86386 -18.6177 -3.8637 -54.6837 GPRESSAVG: 4224600 16.6678 5.50055 -19.0828 1.91475 44.832 -4.94677 -15.9889 -1.83612 -55.2751 TIMING: 4224600 CPU: 12684.4, 0.00303681/step Wall: 12684.4, 0.00303681/step, 0.654094 hours remaining, 207.843750 MB of memory in use. ENERGY: 4224600 716.4640 2048.1136 1965.5827 105.6861 -206051.6390 17499.7494 0.0000 0.0000 34342.2060 -149373.8372 299.9190 -183716.0433 -149275.5737 298.8711 -176.5675 -142.7189 557967.3645 2.1678 2.0749 PRESSURE: 4224800 -250.832 -61.9919 2.03219 -61.991 53.8387 -95.9522 2.03301 -95.9501 43.3673 GPRESSURE: 4224800 -199.814 -103.104 -11.7757 -36.9975 62.7752 -124.968 -1.3909 -58.4658 88.636 PRESSAVG: 4224800 -4.34719 -27.3853 14.3999 -27.3852 -7.65588 -27.3793 14.3998 -27.3793 2.64352 GPRESSAVG: 4224800 -4.9976 -29.9428 14.4869 -25.6425 -7.28098 -27.1932 13.565 -28.64 2.74306 TIMING: 4224800 CPU: 12685, 0.00304191/step Wall: 12685, 0.00304191/step, 0.655024 hours remaining, 207.910156 MB of memory in use. ENERGY: 4224800 747.6529 2054.8857 1952.6113 128.6206 -206340.1028 17869.0057 0.0000 0.0000 34143.3521 -149443.9744 298.1824 -183587.3266 -149356.3539 298.6028 -51.2088 -16.1343 558944.0265 -3.1199 -3.1785 PRESSURE: 4225000 172.68 157.642 37.9358 157.641 7.03637 -122.793 37.9357 -122.793 9.62732 GPRESSURE: 4225000 206.768 123.692 -23.9096 176.128 63.4095 -41.1083 67.9894 -116.85 15.9176 PRESSAVG: 4225000 -14.314 1.35294 20.4123 1.35288 -16.6444 -17.2957 20.4123 -17.2957 47.5576 GPRESSAVG: 4225000 -13.211 5.16321 19.5084 1.68184 -16.9436 -18.0683 22.5339 -16.244 46.5109 TIMING: 4225000 CPU: 12685.6, 0.00304929/step Wall: 12685.6, 0.0030493/step, 0.656445 hours remaining, 207.910156 MB of memory in use. ENERGY: 4225000 715.7314 2056.9204 1927.6411 104.3871 -205829.8922 17821.2956 0.0000 0.0000 33978.1611 -149225.7555 296.7397 -183203.9165 -149128.7661 298.7586 63.1147 95.3651 558771.2923 5.5330 5.4521 PRESSURE: 4225200 16.8737 34.282 0.772274 34.2832 -14.9571 -35.7058 0.771257 -35.7064 -76.3145 GPRESSURE: 4225200 69.7062 11.2174 16.4281 -5.81794 34.9733 -64.7944 62.5678 6.32095 -74.0984 PRESSAVG: 4225200 35.2643 -28.2623 35.1169 -28.2622 -49.4232 -20.3217 35.1169 -20.3218 43.9951 GPRESSAVG: 4225200 33.7087 -30.8967 35.2394 -29.5678 -48.1478 -18.3531 32.2524 -20.8165 44.2444 TIMING: 4225200 CPU: 12686.2, 0.0030654/step Wall: 12686.2, 0.0030654/step, 0.659742 hours remaining, 207.910156 MB of memory in use. ENERGY: 4225200 738.5658 2094.3675 1952.3398 116.8375 -206307.2634 17914.6685 0.0000 0.0000 34360.2859 -149130.1983 300.0769 -183490.4843 -149028.4594 298.8473 -24.7993 10.1937 559206.1300 9.9454 9.9351 PRESSURE: 4225400 101.015 61.3648 -108.059 61.3643 -28.4853 202.337 -108.06 202.337 -41.9582 GPRESSURE: 4225400 69.304 62.2372 -130.744 36.7759 8.0137 247.757 -78.9571 190.006 44.7517 PRESSAVG: 4225400 40.8432 -22.5146 -48.0903 -22.5147 -40.385 -1.27046 -48.0903 -1.27041 45.6974 GPRESSAVG: 4225400 41.911 -20.246 -47.4213 -21.7474 -41.3606 -2.20969 -47.6677 -2.4469 45.8496 TIMING: 4225400 CPU: 12686.8, 0.00304003/step Wall: 12686.8, 0.00304003/step, 0.654113 hours remaining, 207.910156 MB of memory in use. ENERGY: 4225400 753.7055 2058.3946 1951.2832 108.5328 -206436.5234 17952.8788 0.0000 0.0000 34428.2828 -149183.4458 300.6708 -183611.7286 -149080.2785 299.2318 10.1905 40.6898 558836.7649 15.3852 15.4667 PRESSURE: 4225600 -123.801 -34.8236 -66.9631 -34.8237 -203.867 -118.362 -66.963 -118.362 -85.2942 GPRESSURE: 4225600 -99.4875 -14.7567 -65.1818 -44.2557 -170.45 -130.37 -13.543 -104.766 -54.9325 PRESSAVG: 4225600 -39.4522 23.2387 -36.1772 23.2387 -14.9051 -4.6675 -36.1771 -4.66748 108.335 GPRESSAVG: 4225600 -39.6391 21.1691 -36.5174 22.8657 -16.1776 -3.26167 -35.8804 -3.79674 109.109 TIMING: 4225600 CPU: 12687.4, 0.00306362/step Wall: 12687.4, 0.00306362/step, 0.659019 hours remaining, 207.910156 MB of memory in use. ENERGY: 4225600 773.3926 2040.9077 1954.1097 107.0318 -205962.4102 17731.7608 0.0000 0.0000 34134.0985 -149221.1091 298.1016 -183355.2076 -149118.0086 298.9841 -137.6539 -108.2901 558091.3254 17.9927 17.7642 PRESSURE: 4225800 -305.264 97.9792 -38.5335 97.9793 89.6213 -85.544 -38.5316 -85.5456 -186.597 GPRESSURE: 4225800 -195.944 64.8516 -34.7703 80.0641 39.7913 -55.0705 10.3524 -70.9258 -158.087 PRESSAVG: 4225800 18.3289 5.3779 -44.9005 5.37791 -48.3875 -51.1146 -44.9005 -51.1146 37.2802 GPRESSAVG: 4225800 18.2866 6.29345 -45.4702 5.54474 -47.1035 -50.2974 -41.4219 -51.1422 36.4206 TIMING: 4225800 CPU: 12688, 0.00304703/step Wall: 12688, 0.00304703/step, 0.655281 hours remaining, 207.910156 MB of memory in use. ENERGY: 4225800 759.9514 2070.9031 1932.9593 120.2023 -206105.5051 17753.6065 0.0000 0.0000 34371.5278 -149096.3546 300.1751 -183467.8824 -149003.4122 298.4178 -134.0799 -104.7463 559358.5009 2.4072 2.5346 PRESSURE: 4226000 -106.253 31.0058 94.4179 31.0053 65.5303 54.1654 94.4182 54.1658 198.772 GPRESSURE: 4226000 -47.2392 130.289 80.3009 4.15434 132.181 15.2105 97.7885 88.3699 169.461 PRESSAVG: 4226000 48.7262 61.4836 -14.6592 61.4836 -61.9788 -4.47053 -14.6593 -4.47053 2.33111 GPRESSAVG: 4226000 47.9079 62.2076 -13.5125 61.5638 -62.3592 -4.60713 -15.3201 -3.40242 3.59779 TIMING: 4226000 CPU: 12688.6, 0.00306911/step Wall: 12688.6, 0.00306911/step, 0.659859 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: 4226000 757.2913 2077.1091 1901.6011 130.0650 -206139.4719 17788.8460 0.0000 0.0000 34282.2007 -149202.3588 299.3950 -183484.5595 -149102.8684 299.8790 52.6833 84.8009 556712.7676 -3.6405 -3.6178 PRESSURE: 4226200 -34.6279 -48.7767 120.175 -48.777 -141.88 -109.509 120.175 -109.509 109.26 GPRESSURE: 4226200 34.7311 -0.970498 91.4781 -86.7954 -186.541 -120.514 165.902 -163.505 177.339 PRESSAVG: 4226200 -0.268518 4.22704 6.7363 4.22711 -25.5725 -26.9221 6.73628 -26.9222 38.1512 GPRESSAVG: 4226200 1.74327 1.37722 7.21559 6.36546 -25.2012 -27.5561 5.72886 -27.8467 36.401 TIMING: 4226200 CPU: 12689.2, 0.0030457/step Wall: 12689.2, 0.0030457/step, 0.654657 hours remaining, 207.910156 MB of memory in use. ENERGY: 4226200 760.5778 2106.1045 1923.5715 121.5802 -206016.9615 17631.1356 0.0000 0.0000 34126.9887 -149347.0032 298.0395 -183473.9919 -149255.4381 299.9501 -22.4160 8.5094 556565.9854 4.1034 4.3144 PRESSURE: 4226400 -192.718 -127.235 4.82894 -127.234 199.013 92.3565 4.83082 92.3544 195.119 GPRESSURE: 4226400 -148.22 -98.55 42.3808 -109.8 228.88 11.0969 -51.6932 202.827 226.049 PRESSAVG: 4226400 -37.9057 -0.247372 -13.2893 -0.247393 22.1543 -16.8445 -13.2892 -16.8445 68.0651 GPRESSAVG: 4226400 -37.9174 1.36408 -15.4563 -1.84848 22.084 -17.773 -12.4145 -17.2003 68.2359 TIMING: 4226400 CPU: 12689.8, 0.00303552/step Wall: 12689.8, 0.00303552/step, 0.652299 hours remaining, 207.910156 MB of memory in use. ENERGY: 4226400 729.9700 2056.7512 1907.8370 111.4384 -206289.2721 17887.1072 0.0000 0.0000 34255.0331 -149341.1353 299.1577 -183596.1684 -149241.0945 299.0058 67.1380 102.2363 555890.1315 17.4379 17.4675 PRESSURE: 4226600 -138.709 201.697 -25.277 201.697 -135.333 -74.7226 -25.2763 -74.7234 -34.6298 GPRESSURE: 4226600 -68.9314 212.926 -57.014 240.957 -108.031 -109.482 74.798 -36.877 -28.5826 PRESSAVG: 4226600 14.5733 -12.82 -11.8536 -12.82 -39.7784 -21.051 -11.8536 -21.0511 32.387 GPRESSAVG: 4226600 14.6608 -13.7665 -9.01555 -12.8586 -39.484 -19.8754 -11.729 -21.2543 32.16 TIMING: 4226600 CPU: 12690.5, 0.00302937/step Wall: 12690.5, 0.00302937/step, 0.65081 hours remaining, 207.910156 MB of memory in use. ENERGY: 4226600 742.5097 2109.3092 1922.3933 124.5925 -205872.3575 17444.0051 0.0000 0.0000 34180.1802 -149349.3675 298.5040 -183529.5477 -149260.4564 298.4865 -102.8906 -68.5150 555770.1380 2.3940 2.4456 PRESSURE: 4226800 -135.105 77.11 -41.439 77.1109 9.69111 116.298 -41.44 116.297 -111.719 GPRESSURE: 4226800 -120.678 43.4359 -26.9827 45.7849 33.8161 105.542 -53.8062 101.599 -47.5692 PRESSAVG: 4226800 15.2166 -4.81226 -20.123 -4.81232 38.2538 -1.5697 -20.1229 -1.56972 -43.0456 GPRESSAVG: 4226800 15.0621 -5.75721 -18.3047 -2.93469 37.3543 -0.452992 -22.9599 -2.66761 -42.1292 TIMING: 4226800 CPU: 12691.1, 0.00306147/step Wall: 12691.1, 0.00306147/step, 0.657536 hours remaining, 207.910156 MB of memory in use. ENERGY: 4226800 733.0347 2117.1725 1932.2882 110.9015 -206295.5066 17776.7367 0.0000 0.0000 34118.3030 -149507.0700 297.9636 -183625.3730 -149409.3523 298.3969 -79.0443 -44.8104 557266.8424 3.4749 3.4291 PRESSURE: 4227000 -16.9535 37.8935 -60.5367 37.8932 42.7523 45.8881 -60.5375 45.8896 -62.9766 GPRESSURE: 4227000 13.1832 36.927 -78.4952 35.3402 36.7381 80.7634 -129.72 -6.50538 11.9391 PRESSAVG: 4227000 -38.8353 -14.1407 67.7295 -14.1407 25.495 21.748 67.7295 21.748 21.8606 GPRESSAVG: 4227000 -38.4116 -10.6498 65.8791 -17.0752 25.2726 19.9963 68.0305 24.0954 21.6888 TIMING: 4227000 CPU: 12691.7, 0.00305289/step Wall: 12691.7, 0.00305289/step, 0.655523 hours remaining, 207.910156 MB of memory in use. ENERGY: 4227000 753.4691 2169.9957 1940.3889 101.9643 -206415.2590 17797.4655 0.0000 0.0000 34112.1129 -149539.8626 297.9096 -183651.9755 -149447.9443 297.9873 -12.3926 20.6201 558653.7253 2.8401 2.8499 PRESSURE: 4227200 -51.3254 30.2236 -71.3277 30.2243 -124.715 94.7245 -71.3276 94.7248 -196.786 GPRESSURE: 4227200 -31.8918 3.61275 -133.719 28.5444 -85.196 130.012 -1.22681 56.0198 -142.867 PRESSAVG: 4227200 -17.5341 -7.98685 -32.8508 -7.98693 -19.1951 86.7484 -32.8508 86.7485 35.2909 GPRESSAVG: 4227200 -16.9376 -9.00454 -31.8864 -5.90156 -17.8623 85.5279 -31.8632 88.3428 33.7731 TIMING: 4227200 CPU: 12692.3, 0.00305114/step Wall: 12692.3, 0.00305114/step, 0.654977 hours remaining, 207.910156 MB of memory in use. ENERGY: 4227200 730.6571 2115.7712 1917.4747 99.4776 -206377.2046 17670.2044 0.0000 0.0000 34386.9864 -149456.6332 300.3101 -183843.6196 -149355.2547 298.2115 -124.2754 -86.6515 557833.2572 -0.4795 -0.3423 PRESSURE: 4227400 40.3994 127.166 76.9184 127.166 143.358 130.882 76.917 130.883 233.208 GPRESSURE: 4227400 58.6511 165.301 98.5473 147.328 188.759 29.7889 126.792 219.271 267.618 PRESSAVG: 4227400 -27.5317 -24.5937 10.4149 -24.5936 53.1332 48.6693 10.4149 48.6693 -33.2412 GPRESSAVG: 4227400 -28.7875 -26.4748 8.63369 -24.5478 53.1493 51.7116 9.93988 48.0885 -32.1047 TIMING: 4227400 CPU: 12692.9, 0.00305314/step Wall: 12692.9, 0.00305314/step, 0.655238 hours remaining, 207.910156 MB of memory in use. ENERGY: 4227400 721.1703 2053.0838 1947.9681 120.7322 -206323.4048 18007.7360 0.0000 0.0000 33900.5408 -149572.1734 296.0619 -183472.7142 -149474.0625 298.0969 138.9883 171.6761 557038.1100 -2.5466 -2.5809 PRESSURE: 4227600 -209.794 6.24073 1.9963 6.24015 82.8461 -10.893 1.99666 -10.8922 26.2133 GPRESSURE: 4227600 -183.74 47.2762 -24.7274 32.4926 136.066 43.7156 22.8949 -40.5053 51.2942 PRESSAVG: 4227600 -28.977 -5.55563 17.2904 -5.55572 -30.0135 -7.64974 17.2903 -7.64978 73.4084 GPRESSAVG: 4227600 -27.4636 -5.98544 17.0253 -5.86923 -32.0845 -8.75581 19.2259 -8.49184 74.6004 TIMING: 4227600 CPU: 12693.5, 0.00301643/step Wall: 12693.5, 0.00301643/step, 0.647191 hours remaining, 207.910156 MB of memory in use. ENERGY: 4227600 711.0253 2151.8912 1943.6006 112.1141 -206839.5698 17946.0075 0.0000 0.0000 34497.7062 -149477.2249 301.2770 -183974.9311 -149380.4928 298.3192 -33.5784 1.2068 556096.4203 4.8060 5.0174 PRESSURE: 4227800 -163.96 51.8372 26.2378 51.8369 -160.894 -57.0551 26.2387 -57.0548 -212.413 GPRESSURE: 4227800 -150.377 -13.411 26.6596 71.7616 -151.004 -83.9969 -3.58163 -123.341 -125.49 PRESSAVG: 4227800 -72.1093 27.5422 -40.1198 27.5424 49.6045 14.0659 -40.1197 14.0658 38.0859 GPRESSAVG: 4227800 -72.8963 28.5797 -38.5775 26.8916 50.997 13.236 -39.1881 13.114 37.6066 TIMING: 4227800 CPU: 12694.1, 0.00303524/step Wall: 12694.1, 0.00303524/step, 0.651058 hours remaining, 207.910156 MB of memory in use. ENERGY: 4227800 778.7920 2049.0682 1951.4892 118.6522 -206362.7904 17667.3441 0.0000 0.0000 34262.0298 -149535.4149 299.2188 -183797.4447 -149438.7475 298.7478 -179.0890 -142.2904 557366.6507 5.1937 5.2358 PRESSURE: 4228000 188.128 41.5081 40.4589 41.5079 108.436 -13.8829 40.4598 -13.8825 514.479 GPRESSURE: 4228000 187.089 53.1756 25.2872 63.6762 191.855 39.1289 51.2716 -32.5538 520.585 PRESSAVG: 4228000 5.69433 -24.9499 13.3762 -24.9499 -19.4788 -2.43078 13.3763 -2.43086 30.0695 GPRESSAVG: 4228000 6.58764 -26.9057 13.4577 -25.2569 -19.7262 -2.57087 10.7261 -2.27953 29.9978 TIMING: 4228000 CPU: 12694.7, 0.00302718/step Wall: 12694.7, 0.00302718/step, 0.649161 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: 4228000 714.0045 2097.6642 1949.8399 125.1064 -206846.2836 18306.5921 0.0000 0.0000 34204.5160 -149448.5605 298.7165 -183653.0765 -149352.7310 298.8338 270.3477 299.8427 556071.7533 5.4283 5.6197 PRESSURE: 4228200 10.0997 -107.038 -77.2109 -107.038 -95.2108 -84.8771 -77.2115 -84.8774 88.6597 GPRESSURE: 4228200 77.4954 -131.379 -168.482 -47.4996 -102.013 -30.1551 -43.0973 -139.667 127.876 PRESSAVG: 4228200 21.2791 48.3182 -5.59618 48.3182 -35.1805 -62.2182 -5.59619 -62.2181 30.7778 GPRESSAVG: 4228200 21.4393 49.0983 -5.4164 49.2079 -36.2367 -61.2348 -5.00613 -61.8546 32.6283 TIMING: 4228200 CPU: 12695.3, 0.00303598/step Wall: 12695.3, 0.00303598/step, 0.650879 hours remaining, 207.910156 MB of memory in use. ENERGY: 4228200 745.7138 2076.5559 1926.8733 110.4311 -206033.2509 17624.5685 0.0000 0.0000 34124.2442 -149424.8641 298.0155 -183549.1083 -149328.5122 298.5221 1.1829 34.4530 557048.3537 5.6255 5.9436 LDB: ============= START OF LOAD BALANCING ============== 12698.8 LDB: ============== END OF LOAD BALANCING =============== 12698.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12698.8 LDB: ============= START OF LOAD BALANCING ============== 12699.1 LDB: Largest compute 4820 load 0.023516 is 19.9% of average load 0.118119 LDB: Average compute 0.001730 is 1.5% of average load 0.118119 LDB: TIME 12699.1 LOAD: AVG 0.118119 MAX 0.225563 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.152 MB LDB: TIME 12699.1 LOAD: AVG 0.118119 MAX 0.225563 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.223 MB LDB: TIME 12699.1 LOAD: AVG 0.118119 MAX 0.225563 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.223 MB LDB: ============== END OF LOAD BALANCING =============== 12699.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12699.1 PRESSURE: 4228400 29.5848 190.762 21.3003 190.762 -150.967 -17.1168 21.3006 -17.1178 -23.381 GPRESSURE: 4228400 30.5561 175.051 48.6121 148.508 -98.629 -78.2898 -2.82186 -23.7906 20.7215 PRESSAVG: 4228400 6.11559 4.82662 10.7365 4.82656 -32.8681 -7.53926 10.7364 -7.53922 55.7774 GPRESSAVG: 4228400 5.82618 5.40228 10.4016 4.20617 -32.5636 -7.5502 8.91546 -6.49605 55.9529 TIMING: 4228400 CPU: 12695.9, 0.00310518/step Wall: 12695.9, 0.00310518/step, 0.665543 hours remaining, 209.128906 MB of memory in use. ENERGY: 4228400 748.6088 2093.6048 1957.9539 115.3470 -206227.1765 17743.4594 0.0000 0.0000 34219.4200 -149348.7826 298.8467 -183568.2027 -149259.1254 298.9843 -48.2545 -15.7838 557264.8983 9.6750 9.7385 PRESSURE: 4228600 -97.6282 29.092 -59.7488 29.0918 273.618 152.094 -59.749 152.094 367.738 GPRESSURE: 4228600 -29.306 83.058 -3.48962 -37.8802 315.247 108.466 -35.4807 179.881 359.821 PRESSAVG: 4228600 -10.5156 -1.28666 27.7825 -1.28667 -39.8375 -53.8529 27.7826 -53.8529 73.2229 GPRESSAVG: 4228600 -10.9103 -1.63433 27.3592 -0.441153 -39.0423 -52.9494 30.4755 -55.0982 72.4323 TIMING: 4228600 CPU: 12696.6, 0.0030481/step Wall: 12696.6, 0.0030481/step, 0.65314 hours remaining, 209.386719 MB of memory in use. ENERGY: 4228600 701.1817 2116.5062 1943.5882 110.5032 -206408.4960 18060.8691 0.0000 0.0000 34177.8142 -149298.0333 298.4834 -183475.8476 -149199.0746 299.6921 181.2426 215.2539 556528.1418 7.6233 7.4932 PRESSURE: 4228800 -386.995 6.15811 14.1923 6.15916 19.4017 -8.6549 14.1929 -8.65476 86.3427 GPRESSURE: 4228800 -324.946 -11.0192 -8.93617 -128.255 22.4826 -109.576 56.3676 50.8352 124.177 PRESSAVG: 4228800 -49.4073 -6.78117 27.5015 -6.7812 50.9996 -8.56424 27.5015 -8.56425 21.9065 GPRESSAVG: 4228800 -49.7695 -6.50313 28.4068 -8.09443 52.6952 -8.54275 23.2356 -8.01274 21.1267 TIMING: 4228800 CPU: 12697.2, 0.00302004/step Wall: 12697.2, 0.00302004/step, 0.64696 hours remaining, 209.386719 MB of memory in use. ENERGY: 4228800 769.4054 2127.0412 1953.7119 106.9027 -205796.6924 17629.5515 0.0000 0.0000 34026.6809 -149183.3987 297.1635 -183210.0797 -149087.3008 299.7274 -93.7503 -59.4289 558862.1068 7.8329 8.0175 PRESSURE: 4229000 105.958 3.23703 93.7796 3.23714 -236.241 2.58522 93.779 2.58337 -218.688 GPRESSURE: 4229000 90.4348 120.145 67.919 -49.944 -148.024 11.7386 152.574 43.4108 -206.823 PRESSAVG: 4229000 -40.6225 -11.7654 16.0451 -11.7655 -14.3853 5.4329 16.045 5.43288 35.5154 GPRESSAVG: 4229000 -39.8403 -11.9934 15.329 -12.7477 -15.8394 2.42198 18.7327 4.58065 35.9194 TIMING: 4229000 CPU: 12697.8, 0.00302315/step Wall: 12697.8, 0.00302315/step, 0.647458 hours remaining, 209.386719 MB of memory in use. ENERGY: 4229000 745.5095 2098.2312 1964.8104 101.6937 -206316.6977 17850.2250 0.0000 0.0000 34340.7154 -149215.5123 299.9060 -183556.2278 -149117.5071 299.2042 -116.3239 -88.1374 558568.7411 -6.4975 -6.5868 PRESSURE: 4229200 29.3926 124.364 115.121 124.364 -63.9765 46.8497 115.121 46.8488 -255.613 GPRESSURE: 4229200 106.03 115.552 13.2247 133.543 -6.55506 -3.68122 181.662 97.9785 -287.398 PRESSAVG: 4229200 10.5453 33.036 66.8665 33.0359 25.6714 18.886 66.8665 18.8862 -23.1487 GPRESSAVG: 4229200 10.7291 32.6367 65.7736 32.7962 25.9331 20.0672 68.3906 19.7298 -23.1632 TIMING: 4229200 CPU: 12698.4, 0.00301979/step Wall: 12698.4, 0.00301979/step, 0.646571 hours remaining, 209.386719 MB of memory in use. ENERGY: 4229200 766.1336 2078.2422 1948.1623 112.6227 -206152.7175 17828.1311 0.0000 0.0000 34315.7901 -149103.6354 299.6883 -183419.4255 -149006.8033 299.2631 -96.7323 -62.6411 559770.3198 4.3560 4.4997 PRESSURE: 4229400 41.5988 -36.5521 48.0452 -36.5515 -18.0295 7.59866 48.0442 7.59906 -194.438 GPRESSURE: 4229400 86.2012 -32.9367 -28.0981 -0.817875 19.987 -8.49086 173.931 124.505 -179.713 PRESSAVG: 4229400 3.53754 42.4496 21.8352 42.4496 -20.0342 -16.2524 21.8351 -16.2524 64.3226 GPRESSAVG: 4229400 4.13511 41.854 25.5158 44.3374 -19.8344 -16.6169 20.5668 -15.9808 63.2583 TIMING: 4229400 CPU: 12699, 0.00304243/step Wall: 12699, 0.00304243/step, 0.651249 hours remaining, 209.386719 MB of memory in use. ENERGY: 4229400 792.8355 2074.7833 1923.9508 134.3086 -206569.9719 17984.4586 0.0000 0.0000 34564.6657 -149094.9693 301.8618 -183659.6351 -148999.0218 299.6542 -56.9563 -24.5083 559367.7006 15.9420 15.8530 PRESSURE: 4229600 2.46788 46.0991 -124.299 46.0981 107.51 -203.27 -124.299 -203.269 -60.5295 GPRESSURE: 4229600 10.3978 17.0962 -114.396 2.99895 122.516 -206.169 -122.527 -189.567 13.1151 PRESSAVG: 4229600 67.7286 -9.16112 -21.9502 -9.16096 -68.2681 -14.6675 -21.9503 -14.6675 8.20282 GPRESSAVG: 4229600 68.0716 -6.24141 -23.2519 -8.21832 -69.9118 -13.4652 -21.7678 -15.1053 9.48321 TIMING: 4229600 CPU: 12699.6, 0.00303659/step Wall: 12699.6, 0.00303659/step, 0.649829 hours remaining, 209.386719 MB of memory in use. ENERGY: 4229600 757.3712 2049.3695 1957.9690 114.0255 -206417.7149 17926.0617 0.0000 0.0000 34380.4759 -149232.4421 300.2532 -183612.9180 -149133.8722 299.9904 16.4827 48.6762 557869.3628 2.5544 2.5477 PRESSURE: 4229800 120.137 -35.2391 155.851 -35.2397 34.6602 -158.47 155.851 -158.469 -65.0556 GPRESSURE: 4229800 149.729 -82.007 189.219 63.6683 65.9205 -209.737 69.4481 -106.739 -14.6838 PRESSAVG: 4229800 23.4086 0.701803 -46.5423 0.70176 26.1727 2.64811 -46.5423 2.64802 -59.5404 GPRESSAVG: 4229800 22.3557 -1.84054 -46.388 -1.95084 27.3378 3.24909 -47.4344 1.70022 -59.5969 TIMING: 4229800 CPU: 12700.2, 0.00304948/step Wall: 12700.2, 0.00304948/step, 0.65242 hours remaining, 209.644531 MB of memory in use. ENERGY: 4229800 754.1005 2103.0923 1941.2713 98.2998 -206365.4115 17957.9046 0.0000 0.0000 34347.3066 -149163.4363 299.9636 -183510.7429 -149058.5275 298.7479 29.9140 66.9885 557872.7713 -3.3197 -3.3011 PRESSURE: 4230000 -267.127 -13.3432 -4.63536 -13.3431 -329.978 -59.2291 -4.63608 -59.2275 -231.856 GPRESSURE: 4230000 -205.854 36.1766 -25.4036 -2.13835 -299.852 -170.022 -11.2264 85.0776 -219.346 PRESSAVG: 4230000 7.56678 -24.4225 15.513 -24.4224 -19.3719 -1.07452 15.513 -1.07446 1.5941 GPRESSAVG: 4230000 7.78654 -24.7109 14.684 -23.5322 -19.426 -2.05517 15.041 0.108409 1.5255 TIMING: 4230000 CPU: 12700.8, 0.00306145/step Wall: 12700.8, 0.00306145/step, 0.65481 hours remaining, 209.644531 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: 4230000 756.3606 2119.9386 1972.5586 111.5108 -205857.3616 17424.7232 0.0000 0.0000 34255.8516 -149216.4182 299.1649 -183472.2698 -149114.6220 299.5508 -276.3202 -241.6842 559087.4831 -3.4037 -3.3713 PRESSURE: 4230200 -6.22818 -109.003 52.2478 -109.003 60.2239 50.0266 52.2476 50.0267 -102.838 GPRESSURE: 4230200 -48.9932 -101.813 -49.747 -128.581 33.9796 -5.88052 32.1438 -47.7104 62.9491 PRESSAVG: 4230200 62.5957 -46.2382 -4.34898 -46.2383 -36.5908 -15.1671 -4.34899 -15.1672 -29.2217 GPRESSAVG: 4230200 62.6774 -45.3739 -5.01841 -47.5335 -36.8097 -14.8894 -1.71048 -15.5016 -29.119 TIMING: 4230200 CPU: 12701.4, 0.00306518/step Wall: 12701.4, 0.00306518/step, 0.655437 hours remaining, 209.644531 MB of memory in use. ENERGY: 4230200 742.5393 2148.0294 1948.9275 104.3971 -206234.1938 17703.4583 0.0000 0.0000 34358.3781 -149228.4641 300.0603 -183586.8422 -149133.6297 299.4747 -16.2806 15.9785 557991.1307 -1.0723 -1.0838 PRESSURE: 4230400 -72.5667 -36.7265 20.0105 -36.7262 6.54928 -39.3989 20.011 -39.3985 193.929 GPRESSURE: 4230400 59.269 -99.6307 54.4116 -30.4898 1.10518 -65.8791 53.5257 38.4456 164.209 PRESSAVG: 4230400 47.5397 -57.8358 -7.23193 -57.8359 -4.5333 -55.1723 -7.23188 -55.1723 -17.5294 GPRESSAVG: 4230400 48.9265 -57.3169 -5.19682 -56.809 -5.56385 -54.2226 -8.08904 -54.3548 -18.4106 TIMING: 4230400 CPU: 12702, 0.0030689/step Wall: 12702, 0.0030689/step, 0.656063 hours remaining, 209.644531 MB of memory in use. ENERGY: 4230400 794.2653 2108.3638 1952.3966 110.3757 -206461.2856 18046.5053 0.0000 0.0000 34473.5009 -148975.8780 301.0657 -183449.3788 -148880.4825 299.6473 42.6373 74.8610 558045.5670 8.4923 8.3173 PRESSURE: 4230600 -220.739 -3.48032 -102.275 -3.4804 43.5838 -51.9264 -102.277 -51.9268 -193.232 GPRESSURE: 4230600 -168.976 20.6841 -117.245 -6.71384 27.0961 37.8273 -107.118 -125.903 -126.143 PRESSAVG: 4230600 -34.1572 -14.9156 -31.176 -14.9155 3.4613 22.3338 -31.1759 22.3338 34.1547 GPRESSAVG: 4230600 -35.87 -15.5591 -33.4142 -16.1399 5.46485 23.5122 -31.8636 20.9112 33.7856 TIMING: 4230600 CPU: 12702.6, 0.00309183/step Wall: 12702.6, 0.00309183/step, 0.660793 hours remaining, 209.644531 MB of memory in use. ENERGY: 4230600 734.2417 2117.4694 1956.0692 115.2475 -205866.1471 17760.5274 0.0000 0.0000 34163.4489 -149019.1430 298.3579 -183182.5919 -148922.0237 299.8389 -123.4623 -89.3409 558626.1005 1.1529 1.1268 PRESSURE: 4230800 423.624 -126.278 -3.57704 -126.279 216.448 -75.9923 -3.57646 -75.9908 -197.916 GPRESSURE: 4230800 443.08 -93.4634 7.66083 -117.698 254.979 -24.5915 11.1963 -101.172 -154.125 PRESSAVG: 4230800 -43.4343 36.9317 52.1784 36.9317 38.1058 7.40499 52.1784 7.40498 -43.303 GPRESSAVG: 4230800 -43.2904 37.5076 51.9892 38.353 37.0762 5.45684 52.0106 8.55321 -42.4608 TIMING: 4230800 CPU: 12703.3, 0.00304327/step Wall: 12703.3, 0.00304327/step, 0.650244 hours remaining, 209.644531 MB of memory in use. ENERGY: 4230800 754.6848 2087.0860 1986.5041 111.8707 -206330.0662 18083.8678 0.0000 0.0000 34254.1534 -149051.8993 299.1500 -183306.0527 -148948.0111 299.6538 147.3851 181.3110 557282.9934 -16.2105 -16.2250 PRESSURE: 4231000 14.6189 50.8962 -5.87334 50.8955 31.6447 -7.37393 -5.87232 -7.3732 -121.777 GPRESSURE: 4231000 28.9734 78.9285 92.6546 -26.3769 62.1843 61.607 -66.39 -131.227 -84.5277 PRESSAVG: 4231000 45.4852 -5.03273 16.3544 -5.03274 -13.7905 -9.86831 16.3544 -9.86814 -10.6113 GPRESSAVG: 4231000 44.6879 -5.26893 18.137 -3.93572 -13.0409 -9.66643 15.2874 -12.4123 -11.0118 TIMING: 4231000 CPU: 12703.9, 0.00302505/step Wall: 12703.9, 0.00302505/step, 0.646185 hours remaining, 209.644531 MB of memory in use. ENERGY: 4231000 800.7390 2081.7743 1962.4204 103.6081 -206831.2935 17979.7458 0.0000 0.0000 34507.1574 -149395.8486 301.3596 -183903.0060 -149296.2700 299.8011 -25.1711 2.2100 556480.6416 7.0278 6.8784 PRESSURE: 4231200 -7.50296 -13.0021 89.0502 -13.0017 119.503 -51.5107 89.0512 -51.5108 -177.836 GPRESSURE: 4231200 27.3206 44.316 211.78 -25.1117 157.117 -89.191 5.70789 -31.1324 -133.777 PRESSAVG: 4231200 -9.14522 -7.79007 -26.3031 -7.79001 20.8024 -34.1926 -26.3031 -34.1927 -21.0688 GPRESSAVG: 4231200 -8.80449 -7.36247 -26.1043 -8.77726 19.7963 -34.3125 -25.6518 -32.6092 -20.6144 TIMING: 4231200 CPU: 12704.5, 0.00303945/step Wall: 12704.5, 0.00303945/step, 0.649092 hours remaining, 209.644531 MB of memory in use. ENERGY: 4231200 759.9043 2089.5647 1985.7417 102.5493 -206715.9417 17921.6859 0.0000 0.0000 34465.8546 -149390.6411 300.9989 -183856.4958 -149297.7887 299.3398 -21.9454 16.8870 554956.4333 -3.1372 -3.2076 PRESSURE: 4231400 -196.015 -97.7044 59.6015 -97.7044 -12.5106 51.4186 59.6012 51.4198 -169.244 GPRESSURE: 4231400 -181.836 -89.307 2.56873 -175.637 4.47082 28.8212 28.8137 39.4101 -109.543 PRESSAVG: 4231400 -32.2141 -4.55843 32.1812 -4.55842 3.31811 10.3874 32.1811 10.3873 18.4528 GPRESSAVG: 4231400 -32.2628 -4.22646 31.1133 -4.45673 4.32514 12.3496 32.461 9.54402 17.3951 TIMING: 4231400 CPU: 12705.1, 0.00304242/step Wall: 12705.1, 0.00304242/step, 0.649558 hours remaining, 209.644531 MB of memory in use. ENERGY: 4231400 740.9963 2105.6849 1936.0220 116.7635 -205931.1900 17626.6492 0.0000 0.0000 34075.6727 -149329.4013 297.5913 -183405.0739 -149237.0022 299.2091 -125.9231 -95.6359 557606.2652 -3.4811 -3.5142 PRESSURE: 4231600 -339.577 -43.0752 94.2817 -43.076 -264.134 -29.9462 94.281 -29.9491 82.6194 GPRESSURE: 4231600 -295.564 1.52665 108.558 -81.0732 -237.931 -117.668 162.248 -20.3559 102.246 PRESSAVG: 4231600 -47.0235 -0.397165 33.7966 -0.397272 -15.4449 26.0884 33.7966 26.0884 83.1111 GPRESSAVG: 4231600 -46.0278 -0.568787 33.9372 0.0286713 -16.418 25.7812 34.2002 25.4938 83.0197 TIMING: 4231600 CPU: 12705.7, 0.00305648/step Wall: 12705.7, 0.00305648/step, 0.652389 hours remaining, 209.644531 MB of memory in use. ENERGY: 4231600 763.4473 2106.1305 1937.8565 124.8709 -205871.8633 17630.2638 0.0000 0.0000 34170.0515 -149139.2428 298.4156 -183309.2943 -149048.1080 299.2886 -173.6971 -143.7496 557429.4463 6.8809 6.8580 PRESSURE: 4231800 19.4015 -73.6716 -10.0137 -73.6704 259.412 -164.02 -10.0145 -164.022 115.592 GPRESSURE: 4231800 62.3944 -47.8965 -106.61 -116.384 267.568 -99.4551 47.28 -201.602 161.794 PRESSAVG: 4231800 -3.1821 -39.7211 64.3847 -39.7211 -40.3634 -6.1844 64.3848 -6.18452 38.9008 GPRESSAVG: 4231800 -6.22515 -39.7248 65.0691 -38.9756 -39.6551 -7.97998 64.9274 -4.46233 41.0081 TIMING: 4231800 CPU: 12706.3, 0.00306082/step Wall: 12706.3, 0.00306082/step, 0.653146 hours remaining, 209.644531 MB of memory in use. ENERGY: 4231800 750.0624 2127.2511 1972.0759 115.6294 -206661.4630 18049.9836 0.0000 0.0000 34493.8329 -149152.6277 301.2432 -183646.4606 -149058.8316 299.7648 131.4685 163.9187 556178.4979 -1.5482 -1.6240 PRESSURE: 4232000 -74.7727 28.4841 13.1486 28.4831 81.7804 157.593 13.1484 157.593 -275.721 GPRESSURE: 4232000 -19.0487 42.2986 -47.4398 -74.595 50.2526 141.677 -24.4494 139.059 -214.044 PRESSAVG: 4232000 14.4172 -36.4077 47.6234 -36.4078 58.7974 1.68087 47.6234 1.68083 -16.5546 GPRESSAVG: 4232000 17.0153 -36.6246 47.337 -36.4523 57.7204 2.67867 46.4522 1.59304 -17.3207 TIMING: 4232000 CPU: 12706.9, 0.00304691/step Wall: 12706.9, 0.00304691/step, 0.650007 hours remaining, 209.644531 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: 4232000 728.0933 2104.1052 1937.0265 117.3519 -206429.4415 17821.7898 0.0000 0.0000 34384.0418 -149337.0330 300.2844 -183721.0748 -149242.7066 299.9304 -89.5712 -60.9466 556202.3652 18.8867 19.1383 PRESSURE: 4232200 123.753 -6.66748 -83.3515 -6.66826 61.6722 -276.089 -83.3515 -276.089 -20.6805 GPRESSURE: 4232200 166.15 -119.1 -118.722 96.4086 80.6597 -253.802 -56.6965 -206.883 23.7564 PRESSAVG: 4232200 18.4484 -4.16094 35.6472 -4.16088 73.7083 31.388 35.6472 31.3881 -65.5853 GPRESSAVG: 4232200 18.4822 -5.12754 32.7581 -2.87299 74.1713 32.5679 37.3037 29.8014 -65.9843 TIMING: 4232200 CPU: 12707.5, 0.00302924/step Wall: 12707.5, 0.00302924/step, 0.646069 hours remaining, 209.644531 MB of memory in use. ENERGY: 4232200 746.8884 2096.7879 1927.4629 113.0695 -205963.9379 17775.4635 0.0000 0.0000 34175.2825 -149128.9832 298.4612 -183304.2658 -149038.2132 299.7040 54.9147 90.1887 556827.3740 8.8571 8.8897 LDB: ============= START OF LOAD BALANCING ============== 12711 LDB: ============== END OF LOAD BALANCING =============== 12711 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12711 LDB: ============= START OF LOAD BALANCING ============== 12711.3 LDB: Largest compute 4820 load 0.026005 is 22.0% of average load 0.118118 LDB: Average compute 0.001732 is 1.5% of average load 0.118118 LDB: TIME 12711.3 LOAD: AVG 0.118118 MAX 0.221136 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.035 MB LDB: TIME 12711.3 LOAD: AVG 0.118118 MAX 0.221136 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.098 MB LDB: TIME 12711.3 LOAD: AVG 0.118118 MAX 0.221136 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.098 MB LDB: ============== END OF LOAD BALANCING =============== 12711.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12711.3 PRESSURE: 4232400 -271.332 111.189 -35.9678 111.187 -49.2267 -39.9233 -35.9688 -39.9231 -30.2392 GPRESSURE: 4232400 -230.72 146.663 -4.91146 121.526 -1.20378 -29.4747 8.95363 -53.7648 -23.2734 PRESSAVG: 4232400 21.3059 41.1816 0.775263 41.1816 36.2549 38.3712 0.775281 38.3713 -80.0735 GPRESSAVG: 4232400 20.6843 41.9057 4.08162 39.3007 36.5962 38.1883 -1.36905 38.6696 -80.2343 TIMING: 4232400 CPU: 12708.1, 0.00311028/step Wall: 12708.1, 0.00311028/step, 0.663181 hours remaining, 207.328125 MB of memory in use. ENERGY: 4232400 751.8552 2026.8041 1947.8145 125.5577 -205838.5895 17575.2373 0.0000 0.0000 34461.3224 -148949.9983 300.9593 -183411.3207 -148846.5402 299.4993 -116.9328 -85.0658 557547.1843 -7.5042 -7.6513 PRESSURE: 4232600 36.3516 -16.9307 125.229 -16.9312 83.9799 37.4005 125.229 37.4009 -192.776 GPRESSURE: 4232600 21.9149 5.9077 53.8496 -79.3523 172.412 20.9909 85.1997 30.4961 -170.809 PRESSAVG: 4232600 -3.81692 11.9858 21.2493 11.9858 8.42076 35.4534 21.2493 35.4534 -22.7158 GPRESSAVG: 4232600 -3.88262 12.7485 18.7861 10.8434 8.50387 34.2041 23.9061 34.822 -22.4703 TIMING: 4232600 CPU: 12708.7, 0.00304963/step Wall: 12708.7, 0.00304963/step, 0.65008 hours remaining, 207.328125 MB of memory in use. ENERGY: 4232600 748.1145 2054.8024 1948.6827 109.5492 -205962.0770 17804.6284 0.0000 0.0000 34353.3806 -148942.9192 300.0166 -183296.2998 -148851.5583 300.1391 -24.1483 7.8393 557272.0373 -6.0373 -5.9497 PRESSURE: 4232800 233.222 -179.687 -29.3606 -179.687 -165.715 -28.4064 -29.3605 -28.4054 -140.232 GPRESSURE: 4232800 241.746 -65.5922 36.2957 -124.59 -126.317 -24.7604 23.8862 -37.9269 -84.3404 PRESSAVG: 4232800 49.7133 -11.5788 61.6915 -11.5788 2.20281 -28.6356 61.6914 -28.6356 -54.6401 GPRESSAVG: 4232800 49.8865 -11.7492 64.2387 -9.90357 2.69036 -29.3688 59.6577 -26.93 -55.2159 TIMING: 4232800 CPU: 12709.4, 0.00302698/step Wall: 12709.4, 0.00302698/step, 0.645084 hours remaining, 207.328125 MB of memory in use. ENERGY: 4232800 741.7727 2035.5054 1954.7685 114.9311 -206083.2639 17763.8886 0.0000 0.0000 34371.6144 -149100.7832 300.1759 -183472.3976 -149009.7299 299.4240 -24.2418 10.3630 557714.3709 -0.9080 -0.8797 PRESSURE: 4233000 176.048 -143.513 -111.793 -143.514 -36.2715 -27.2129 -111.793 -27.2117 100.837 GPRESSURE: 4233000 186.62 -59.418 -112.325 -181.232 24.3792 -57.8904 -166.286 -54.2005 133.747 PRESSAVG: 4233000 -43.0285 29.9018 -23.0025 29.9018 25.6586 -32.6887 -23.0025 -32.6888 63.7323 GPRESSAVG: 4233000 -43.273 28.0991 -23.7073 30.618 25.6396 -32.2765 -23.2746 -32.6299 63.7763 TIMING: 4233000 CPU: 12710, 0.00304238/step Wall: 12710, 0.00304238/step, 0.648197 hours remaining, 207.328125 MB of memory in use. ENERGY: 4233000 755.9335 2052.7673 1928.9517 115.5380 -206093.0832 17784.1489 0.0000 0.0000 34392.3042 -149063.4395 300.3565 -183455.7437 -148963.7781 299.7796 80.2047 114.9153 557204.3366 15.4541 15.3809 PRESSURE: 4233200 -145.654 -65.2582 -57.7366 -65.2579 -149.403 94.3082 -57.737 94.3081 -169.404 GPRESSURE: 4233200 -126.696 -147.594 26.1325 -4.1695 -92.0552 176.475 -180.236 69.4729 -138.155 PRESSAVG: 4233200 6.35335 0.830118 -37.8662 0.830044 -46.2407 24.8454 -37.8662 24.8454 58.2922 GPRESSAVG: 4233200 7.25711 0.868145 -38.2733 0.538673 -47.1211 25.4889 -38.1984 24.4819 58.2566 TIMING: 4233200 CPU: 12710.6, 0.00304857/step Wall: 12710.6, 0.00304857/step, 0.649345 hours remaining, 207.328125 MB of memory in use. ENERGY: 4233200 756.5431 2061.8211 1935.7645 114.1833 -205674.4293 17551.2882 0.0000 0.0000 34207.8007 -149047.0284 298.7452 -183254.8291 -148944.8477 299.3289 -154.8203 -118.9686 558379.4989 6.1350 6.1309 PRESSURE: 4233400 -108.004 27.8636 -83.2953 27.8628 -257.158 69.9158 -83.2973 69.9163 -240.564 GPRESSURE: 4233400 -36.6257 77.4457 -163.401 19.5534 -241.135 30.2905 -63.7337 98.7826 -230.372 PRESSAVG: 4233400 105.598 -4.64275 -42.9832 -4.64271 -65.1892 35.7552 -42.9832 35.7552 -9.63294 GPRESSAVG: 4233400 105.49 -1.4415 -45.0458 -5.68829 -65.1608 36.2423 -41.063 35.454 -9.21554 TIMING: 4233400 CPU: 12711.2, 0.00302832/step Wall: 12711.2, 0.00302832/step, 0.644863 hours remaining, 207.328125 MB of memory in use. ENERGY: 4233400 766.7611 2080.1076 1945.9903 111.1009 -206089.3192 17503.4108 0.0000 0.0000 34684.0300 -148997.9185 302.9043 -183681.9485 -148890.7427 299.5696 -201.9088 -169.3774 557612.6015 10.2587 10.3713 PRESSURE: 4233600 61.9944 -7.20204 70.899 -7.20102 -390.63 -76.397 70.8989 -76.397 -402.402 GPRESSURE: 4233600 95.9774 42.6003 76.073 -35.2591 -384.905 -38.4189 145.827 -19.4158 -342.818 PRESSAVG: 4233600 35.3846 7.73701 -26.0676 7.73709 -8.3839 24.1194 -26.0676 24.1195 -53.9871 GPRESSAVG: 4233600 34.1436 6.2776 -24.7757 9.10021 -7.96683 25.0969 -25.3311 22.8611 -53.6412 TIMING: 4233600 CPU: 12711.8, 0.00305769/step Wall: 12711.8, 0.00305769/step, 0.650948 hours remaining, 207.328125 MB of memory in use. ENERGY: 4233600 716.3343 2086.6670 1960.9570 115.4886 -205605.0438 17359.8021 0.0000 0.0000 34187.2215 -149178.5732 298.5655 -183365.7947 -149078.2718 299.3748 -243.6794 -210.5819 557701.7638 -8.9955 -9.1548 PRESSURE: 4233800 148.564 -64.8159 -52.3551 -64.8145 -90.9648 -142.116 -52.355 -142.117 70.2009 GPRESSURE: 4233800 184.013 -26.5057 -45.0268 -89.5758 -30.701 -189.008 -4.05875 -108.251 73.4723 PRESSAVG: 4233800 60.208 27.588 -5.31289 27.588 -63.1572 -45.3444 -5.31291 -45.3445 3.05841 GPRESSAVG: 4233800 60.8496 27.5414 -5.05068 26.835 -64.0272 -45.2288 -6.1576 -44.3283 2.78709 TIMING: 4233800 CPU: 12712.4, 0.00304887/step Wall: 12712.4, 0.00304887/step, 0.648902 hours remaining, 207.328125 MB of memory in use. ENERGY: 4233800 725.6833 2101.0670 1932.7676 124.8884 -206200.6862 17866.9043 0.0000 0.0000 34220.3648 -149229.0109 298.8550 -183449.3757 -149129.1406 299.2883 42.5999 75.5949 557034.4504 0.0364 -0.1302 PRESSURE: 4234000 85.7763 161.249 63.3426 161.251 -53.5091 74.1899 63.3425 74.1884 -322.889 GPRESSURE: 4234000 102.466 148.803 92.157 249.436 -62.2831 44.2926 57.1503 141.553 -235.737 PRESSAVG: 4234000 17.1796 -27.8895 -29.8769 -27.8896 -47.8036 -34.1253 -29.877 -34.1254 2.72578 GPRESSAVG: 4234000 16.8721 -28.4192 -29.6456 -25.2022 -48.7387 -33.5301 -30.5559 -34.8489 3.45563 TIMING: 4234000 CPU: 12713, 0.00304691/step Wall: 12713, 0.00304691/step, 0.648314 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: 4234000 762.9087 2062.8384 1912.6769 124.6705 -206123.4090 17664.9546 0.0000 0.0000 34223.8338 -149371.5262 298.8853 -183595.3601 -149269.2260 298.7514 -96.8738 -65.1846 558844.9679 -9.2994 -9.4703 PRESSURE: 4234200 -28.5679 116.779 68.2293 116.779 -251.581 80.7187 68.2288 80.7188 -114.785 GPRESSURE: 4234200 14.3367 115.342 21.8874 75.9997 -239.75 125.215 73.7567 106.884 -70.9498 PRESSAVG: 4234200 39.8968 31.9842 -0.131481 31.9842 -68.9298 20.535 -0.131517 20.5351 -8.56491 GPRESSAVG: 4234200 40.2569 31.9317 -1.29956 28.7005 -68.0006 18.0271 -1.28086 21.5079 -9.17803 TIMING: 4234200 CPU: 12713.6, 0.00306806/step Wall: 12713.6, 0.00306806/step, 0.652644 hours remaining, 207.328125 MB of memory in use. ENERGY: 4234200 707.6936 2064.2129 1929.8152 117.8873 -205870.7001 17471.6320 0.0000 0.0000 34255.0133 -149324.4457 299.1576 -183579.4590 -149230.5201 298.8526 -131.6446 -98.7876 558463.9213 -12.5326 -12.3072 PRESSURE: 4234400 -149.538 43.5576 19.7914 43.5574 -149.871 112.184 19.7923 112.184 290.438 GPRESSURE: 4234400 -86.3811 29.4944 -9.80556 116.888 -172.177 200.439 61.989 7.5482 372.047 PRESSAVG: 4234400 14.9281 11.5233 -17.0668 11.5232 -17.2801 53.4508 -17.0667 53.4507 27.657 GPRESSAVG: 4234400 15.5341 11.5635 -14.6336 13.207 -16.6962 54.2948 -17.7079 54.256 26.6377 TIMING: 4234400 CPU: 12714.2, 0.00303739/step Wall: 12714.2, 0.00303739/step, 0.645952 hours remaining, 207.328125 MB of memory in use. ENERGY: 4234400 714.1704 2109.8731 1942.0099 105.8676 -206340.9464 17868.9400 0.0000 0.0000 34295.8858 -149304.1996 299.5145 -183600.0854 -149211.8005 299.1344 -2.9902 37.8297 557632.6670 8.4350 8.4919 PRESSURE: 4234600 225.36 63.2031 17.8364 63.2047 -106.832 24.3046 17.8362 24.305 -222.615 GPRESSURE: 4234600 237.078 74.1804 61.3461 3.75499 -136.343 33.4049 14.007 17.8072 -102.837 PRESSAVG: 4234600 65.2714 -5.53849 60.4613 -5.53854 -115.977 18.3926 60.4612 18.3925 23.1141 GPRESSAVG: 4234600 64.708 -5.08517 58.777 -6.03306 -115.851 20.8459 62.5703 16.2205 23.1727 TIMING: 4234600 CPU: 12714.8, 0.00303505/step Wall: 12714.8, 0.00303505/step, 0.645286 hours remaining, 207.328125 MB of memory in use. ENERGY: 4234600 727.3681 2089.8066 1940.5792 106.3053 -206355.8225 17690.3048 0.0000 0.0000 34404.1139 -149397.3446 300.4597 -183801.4585 -149302.3897 299.1795 -34.6955 -0.7007 556704.0562 -9.1972 -9.3234 PRESSURE: 4234800 106.267 -5.34323 -26.9734 -5.34271 78.2369 224.391 -26.974 224.39 -233.765 GPRESSURE: 4234800 91.5756 -10.8149 50.9943 13.1172 122.039 234.5 -56.9449 258.996 -174.001 PRESSAVG: 4234800 -19.0876 12.0357 53.1126 12.0357 18.1073 -20.9579 53.1127 -20.9578 -15.038 GPRESSAVG: 4234800 -19.6766 12.4055 54.7568 11.8689 17.6208 -22.9273 52.0656 -18.2744 -13.8207 TIMING: 4234800 CPU: 12715.4, 0.0030534/step Wall: 12715.4, 0.0030534/step, 0.649018 hours remaining, 207.328125 MB of memory in use. ENERGY: 4234800 753.3619 2050.0908 1976.6623 109.8167 -206007.1558 17668.7837 0.0000 0.0000 34176.7487 -149271.6916 298.4740 -183448.4404 -149174.6121 298.6954 -16.4204 13.2046 555565.7392 -5.3395 -5.2922 PRESSURE: 4235000 53.1008 -151.755 -107.573 -151.754 330.494 -56.0924 -107.573 -56.094 111.434 GPRESSURE: 4235000 153.435 -121.489 -79.1838 -85.3495 301.718 -149.397 -148.649 1.15023 125.156 PRESSAVG: 4235000 -90.9525 -15.3321 73.5365 -15.332 118.708 9.86408 73.5364 9.86407 4.09554 GPRESSAVG: 4235000 -90.5809 -16.9852 72.293 -14.793 117.721 8.6951 73.9877 9.39441 4.32511 TIMING: 4235000 CPU: 12716.1, 0.00304626/step Wall: 12716.1, 0.00304626/step, 0.64733 hours remaining, 207.328125 MB of memory in use. ENERGY: 4235000 731.9521 2075.7702 1932.2040 110.7188 -206161.2975 17928.1031 0.0000 0.0000 34053.3309 -149329.2185 297.3962 -183382.5493 -149239.7562 298.5299 165.0097 193.4363 555593.5108 10.6171 10.4882 PRESSURE: 4235200 155.467 93.4874 -147.333 93.4868 177.475 144.287 -147.333 144.285 198.941 GPRESSURE: 4235200 222.993 56.9388 -116.189 80.6636 177.954 135.563 -167.864 138.153 241.178 PRESSAVG: 4235200 -21.3795 58.1498 18.1192 58.1498 47.9724 1.75027 18.1193 1.75014 -22.2883 GPRESSAVG: 4235200 -21.2677 58.4537 18.0715 56.2955 47.5516 4.19144 18.6703 0.677689 -21.9298 TIMING: 4235200 CPU: 12716.7, 0.00303636/step Wall: 12716.7, 0.00303636/step, 0.645057 hours remaining, 207.328125 MB of memory in use. ENERGY: 4235200 742.4840 2057.0554 1975.7359 118.7749 -206541.7514 18167.5602 0.0000 0.0000 34219.3223 -149260.8187 298.8459 -183480.1410 -149165.4620 299.5759 177.2944 214.0417 556161.9536 1.4349 1.4514 PRESSURE: 4235400 290.765 -159.369 -117.823 -159.368 -165.505 -69.7125 -117.822 -69.713 -75.4751 GPRESSURE: 4235400 315.932 -136.536 -135.319 -183.14 -145.263 -36.2301 -41.7544 -71.1248 -21.2911 PRESSAVG: 4235400 -85.0053 -0.766458 -36.1169 -0.766399 -15.0564 4.09024 -36.117 4.09024 49.8708 GPRESSAVG: 4235400 -85.5142 0.836292 -37.6538 -1.67763 -13.821 2.18565 -35.498 6.57086 49.1588 TIMING: 4235400 CPU: 12717.3, 0.00304386/step Wall: 12717.3, 0.00304386/step, 0.646481 hours remaining, 207.328125 MB of memory in use. ENERGY: 4235400 762.3141 2135.4317 1949.7293 100.8661 -206203.4964 17837.4565 0.0000 0.0000 34415.6027 -149002.0960 300.5600 -183417.6988 -148911.0692 299.0967 16.5950 49.7927 557371.3884 -16.7303 -16.7254 PRESSURE: 4235600 102.792 -47.7952 -9.41944 -47.7963 58.2555 -180.526 -9.41743 -180.525 -157.798 GPRESSURE: 4235600 64.0859 83.3559 -55.1035 -175.79 95.9567 -172.552 19.5581 -128.054 -50.9822 PRESSAVG: 4235600 15.4218 -13.4434 -17.9933 -13.4435 -26.0685 14.3812 -17.9932 14.3811 -32.3247 GPRESSAVG: 4235600 16.3162 -15.077 -15.3711 -11.7175 -26.9657 17.7695 -19.0081 11.0596 -32.0813 TIMING: 4235600 CPU: 12717.9, 0.00303138/step Wall: 12717.9, 0.00303138/step, 0.643664 hours remaining, 207.328125 MB of memory in use. ENERGY: 4235600 747.2395 2037.4833 1937.7615 106.9665 -205980.6915 17821.6086 0.0000 0.0000 34349.2512 -148980.3810 299.9806 -183329.6321 -148883.6716 299.7421 1.0830 36.3534 557260.7339 -14.3238 -14.2436 PRESSURE: 4235800 -4.57738 38.6832 -31.8127 38.6823 33.0889 46.313 -31.8138 46.3135 -209.738 GPRESSURE: 4235800 -9.12577 8.61884 -90.4328 108.531 105.047 117.675 -12.4562 67.2432 -191.65 PRESSAVG: 4235800 20.5379 -57.7194 -14.5381 -57.7194 -0.642814 -45.7532 -14.5381 -45.7532 -27.2874 GPRESSAVG: 4235800 18.8219 -56.5268 -15.564 -60.003 1.25938 -47.8887 -14.3906 -44.4013 -27.3073 TIMING: 4235800 CPU: 12718.5, 0.00302651/step Wall: 12718.5, 0.00302651/step, 0.642461 hours remaining, 207.328125 MB of memory in use. ENERGY: 4235800 762.5545 2024.9801 1959.5343 102.5201 -205727.6663 17600.6701 0.0000 0.0000 34206.8507 -149070.5566 298.7369 -183277.4073 -148973.3718 299.7757 -60.4089 -31.9098 557754.3671 -2.4641 -2.4086 PRESSURE: 4236000 -214.455 35.0902 -63.0759 35.0903 -13.812 -123.519 -63.0762 -123.519 70.6696 GPRESSURE: 4236000 -197.718 -68.8656 -66.4353 57.6259 33.3844 -150.441 -102.465 -37.768 107.394 PRESSAVG: 4236000 -51.2236 -21.2213 -65.1293 -21.2213 42.9804 7.93933 -65.1293 7.93925 64.6891 GPRESSAVG: 4236000 -50.0326 -21.7689 -64.7295 -19.6354 42.1908 8.54946 -63.3913 8.65337 64.5675 TIMING: 4236000 CPU: 12719.1, 0.00304158/step Wall: 12719.1, 0.00304158/step, 0.645492 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: 4236000 752.5347 2044.6696 1935.1984 105.5418 -205781.7183 17544.1608 0.0000 0.0000 34269.5296 -149130.0834 299.2843 -183399.6130 -149030.0626 300.1034 -52.5324 -18.9800 556301.5951 18.8153 18.9086 PRESSURE: 4236200 226.54 9.21115 -7.46487 9.21127 126.145 108.153 -7.46475 108.152 17.49 GPRESSURE: 4236200 215.276 42.1003 -25.0791 -18.6718 186.235 51.4406 -39.5847 208.366 64.4133 PRESSAVG: 4236200 17.0337 -45.0055 -12.6113 -45.0056 55.1422 -8.52753 -12.6112 -8.52748 -28.1182 GPRESSAVG: 4236200 17.1596 -43.3246 -13.7403 -44.697 54.8507 -10.8163 -11.7122 -7.35925 -27.9513 TIMING: 4236200 CPU: 12719.7, 0.00304694/step Wall: 12719.7, 0.00304694/step, 0.646458 hours remaining, 207.328125 MB of memory in use. ENERGY: 4236200 731.7630 2038.1157 1946.7069 109.6630 -206317.2422 17987.5643 0.0000 0.0000 34197.3712 -149306.0581 298.6541 -183503.4293 -149207.3643 298.6581 123.3919 155.3080 556691.3548 14.6859 14.6863 LDB: ============= START OF LOAD BALANCING ============== 12723.1 LDB: ============== END OF LOAD BALANCING =============== 12723.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12723.1 LDB: ============= START OF LOAD BALANCING ============== 12723.4 LDB: Largest compute 4820 load 0.024138 is 20.4% of average load 0.118088 LDB: Average compute 0.001735 is 1.5% of average load 0.118088 LDB: TIME 12723.4 LOAD: AVG 0.118088 MAX 0.222914 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.785 MB LDB: TIME 12723.4 LOAD: AVG 0.118088 MAX 0.222914 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.785 MB LDB: TIME 12723.4 LOAD: AVG 0.118088 MAX 0.222914 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.785 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12723.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12723.5 PRESSURE: 4236400 -150.075 81.6696 24.0965 81.6698 86.3971 36.8386 24.0963 36.8374 67.7044 GPRESSURE: 4236400 -132.849 132.037 92.0966 4.02033 125.745 86.1202 -59.2563 -52.8909 115.283 PRESSAVG: 4236400 -43.9552 -39.8581 -34.6366 -39.8581 6.73899 33.8831 -34.6366 33.8832 -2.921 GPRESSAVG: 4236400 -44.5763 -40.4262 -33.8967 -38.728 6.8368 36.2635 -36.7283 32.3303 -1.86904 TIMING: 4236400 CPU: 12720.3, 0.00311157/step Wall: 12720.3, 0.00311157/step, 0.659998 hours remaining, 207.785156 MB of memory in use. ENERGY: 4236400 753.4108 2051.6018 1927.4698 99.7516 -206307.3987 17984.6213 0.0000 0.0000 34032.9232 -149457.6202 297.2180 -183490.5434 -149370.6961 297.6275 1.3421 36.0597 558731.7815 -13.3791 -13.2028 PRESSURE: 4236600 -224.978 10.089 8.40644 10.0886 -58.1988 137.133 8.40726 137.134 -0.61934 GPRESSURE: 4236600 -127.016 13.7866 -24.0948 125.906 -38.1048 132.578 91.8777 166.777 -23.184 PRESSAVG: 4236600 14.7493 13.0416 -30.8569 13.0416 -27.6933 -41.1852 -30.8568 -41.1853 9.24361 GPRESSAVG: 4236600 14.6308 11.6211 -30.0467 14.3093 -26.6256 -42.0212 -31.1253 -40.2797 8.3864 TIMING: 4236600 CPU: 12720.9, 0.00305453/step Wall: 12720.9, 0.00305453/step, 0.647731 hours remaining, 207.785156 MB of memory in use. ENERGY: 4236600 745.1252 2091.2367 1932.5450 100.6468 -206097.8729 17870.0895 0.0000 0.0000 33949.5747 -149408.6550 296.4901 -183358.2297 -149309.7080 298.3378 -94.5986 -62.7684 558532.9254 -1.2335 -1.2028 PRESSURE: 4236800 260.529 32.7566 195.939 32.7574 178.864 -96.2601 195.938 -96.2595 -29.5495 GPRESSURE: 4236800 274.068 36.7741 166.205 70.1926 228.304 -81.8858 205.687 -88.3101 -9.3571 PRESSAVG: 4236800 -94.9019 8.33629 31.3295 8.33625 28.9629 -71.2412 31.3294 -71.2411 52.9739 GPRESSAVG: 4236800 -93.6634 9.37744 31.2035 5.91415 27.0239 -70.1368 32.7011 -72.2637 53.5788 TIMING: 4236800 CPU: 12721.5, 0.00303934/step Wall: 12721.5, 0.00303934/step, 0.64434 hours remaining, 207.785156 MB of memory in use. ENERGY: 4236800 712.5378 2083.5143 1916.4134 117.8651 -206217.4726 17925.2643 0.0000 0.0000 34174.5488 -149287.3290 298.4548 -183461.8778 -149190.8865 298.6073 136.6146 164.3382 556516.9603 -4.3217 -4.3535 PRESSURE: 4237000 -422.904 12.3109 32.6805 12.311 -200.37 -101.106 32.6806 -101.107 -143.617 GPRESSURE: 4237000 -407.689 -9.4437 -47.6308 -22.1822 -164.456 -28.7822 9.65106 -139.603 -89.9782 PRESSAVG: 4237000 -15.6298 -14.2272 27.8149 -14.2272 21.2457 -57.559 27.8149 -57.5589 -34.5721 GPRESSAVG: 4237000 -16.1764 -15.9053 26.7125 -12.0123 21.65 -57.0652 26.789 -59.9763 -34.3828 TIMING: 4237000 CPU: 12722.2, 0.0030534/step Wall: 12722.2, 0.0030534/step, 0.647151 hours remaining, 207.785156 MB of memory in use. ENERGY: 4237000 740.7189 2065.7821 1942.5166 112.0617 -205440.2475 17264.7749 0.0000 0.0000 34126.9826 -149187.4107 298.0394 -183314.3933 -149090.0065 299.1985 -255.6301 -220.7078 558516.6091 -9.6521 -9.6364 PRESSURE: 4237200 -182.073 121.251 132.576 121.251 -144.955 150.535 132.576 150.534 55.6456 GPRESSURE: 4237200 -119.104 110.042 82.6085 124.326 -169.067 95.8886 140.004 184.872 110.818 PRESSAVG: 4237200 -21.8402 -33.2898 10.3767 -33.2898 -6.22545 -31.8939 10.3766 -31.8938 3.56558 GPRESSAVG: 4237200 -21.5895 -33.0612 9.05457 -34.9821 -5.99739 -33.8236 12.1068 -30.624 2.88668 TIMING: 4237200 CPU: 12722.8, 0.00303907/step Wall: 12722.8, 0.00303907/step, 0.643946 hours remaining, 207.785156 MB of memory in use. ENERGY: 4237200 732.3338 2091.4402 1922.4721 115.4966 -206004.1974 17589.6760 0.0000 0.0000 34424.9783 -149127.8004 300.6419 -183552.7787 -149019.9029 299.4665 -90.4608 -59.1178 557540.6031 -8.1667 -8.2334 PRESSURE: 4237400 -378.732 50.8105 88.2097 50.8111 -109.323 -6.30093 88.2091 -6.29871 -197.65 GPRESSURE: 4237400 -363.139 19.5741 140.297 38.5755 -58.7967 15.7256 114.593 -20.4302 -168.255 PRESSAVG: 4237400 11.6987 -32.8441 17.2434 -32.844 -41.6871 -0.604942 17.2434 -0.605004 26.9809 GPRESSAVG: 4237400 11.3736 -31.7912 21.2885 -32.4704 -41.7727 -0.848251 14.6052 0.113348 27.4645 TIMING: 4237400 CPU: 12723.4, 0.00306058/step Wall: 12723.4, 0.00306058/step, 0.648332 hours remaining, 207.785156 MB of memory in use. ENERGY: 4237400 750.6104 2109.8240 1930.6647 109.3147 -205711.5930 17523.5744 0.0000 0.0000 34231.0588 -149056.5461 298.9484 -183287.6049 -148963.2534 299.4248 -228.5684 -196.7304 558207.9281 -1.0025 -0.9782 PRESSURE: 4237600 -358.601 -70.8486 12.8018 -70.8476 -212.626 -103.025 12.8018 -103.026 -66.4801 GPRESSURE: 4237600 -322.533 -45.4368 -20.1923 -29.9818 -113.241 -107.454 62.1204 -113.821 -105.774 PRESSAVG: 4237600 -12.3932 -3.21959 15.0145 -3.21963 -37.374 -58.3645 15.0146 -58.3646 6.41617 GPRESSAVG: 4237600 -12.3596 -3.45589 12.0429 -1.94711 -36.9164 -55.9658 17.282 -58.1131 5.61802 TIMING: 4237600 CPU: 12724, 0.00306745/step Wall: 12724, 0.00306745/step, 0.649618 hours remaining, 207.785156 MB of memory in use. ENERGY: 4237600 713.4437 2109.1135 1940.1896 120.3737 -205673.0951 17411.8599 0.0000 0.0000 34220.6150 -149157.4997 298.8571 -183378.1147 -149056.6783 300.0960 -212.5689 -180.5161 557019.9307 -14.4503 -14.5527 PRESSURE: 4237800 -39.1065 46.5199 40.7467 46.5202 -213.208 121.705 40.7465 121.703 187.848 GPRESSURE: 4237800 18.3819 82.4532 82.9647 -15.6121 -176.273 182.338 30.2419 81.622 189.233 PRESSAVG: 4237800 113.989 31.2686 -15.7412 31.2687 -51.1265 37.4421 -15.7412 37.442 -18.7232 GPRESSAVG: 4237800 114.553 32.5572 -15.451 30.1505 -51.8262 35.0931 -17.1415 39.3138 -18.845 TIMING: 4237800 CPU: 12724.6, 0.00306107/step Wall: 12724.6, 0.00306107/step, 0.648097 hours remaining, 207.785156 MB of memory in use. ENERGY: 4237800 759.3108 2097.8098 1971.8153 104.9254 -206305.2436 17842.9911 0.0000 0.0000 34276.9860 -149251.4052 299.3494 -183528.3912 -149152.1386 299.5666 -21.4886 10.4471 556486.9245 14.7130 14.6272 PRESSURE: 4238000 -239.636 -92.415 115.218 -92.4136 -166.323 11.3211 115.219 11.3206 -118.838 GPRESSURE: 4238000 -197.201 -108.482 192.831 -35.1796 -122.96 -5.96583 2.26333 62.5396 -99.9934 PRESSAVG: 4238000 -10.6631 -16.0009 44.2384 -16.0009 29.6514 -38.6654 44.2384 -38.6654 11.9173 GPRESSAVG: 4238000 -11.8595 -17.1784 44.3646 -16.3646 31.4982 -39.2705 44.3951 -39.1309 11.2151 TIMING: 4238000 CPU: 12725.2, 0.00307038/step Wall: 12725.2, 0.00307037/step, 0.649896 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: 4238000 755.9495 2077.5930 1955.5858 121.2176 -206191.7536 17652.7265 0.0000 0.0000 34340.5756 -149288.1056 299.9048 -183628.6812 -149191.5293 299.5070 -174.9321 -140.0515 556996.0339 10.3018 10.2846 PRESSURE: 4238200 165.109 -48.5685 38.8766 -48.5692 -61.0753 45.1767 38.8763 45.177 39.2282 GPRESSURE: 4238200 151.971 25.0873 -41.8862 -78.2226 27.0858 44.0747 52.9911 17.8482 72.5556 PRESSAVG: 4238200 26.4303 -44.0134 74.2451 -44.0136 38.9866 -12.6057 74.2451 -12.6056 -70.6895 GPRESSAVG: 4238200 27.4604 -43.8604 73.8527 -44.2819 36.4701 -12.3548 74.6642 -12.8748 -68.9543 TIMING: 4238200 CPU: 12725.8, 0.00305462/step Wall: 12725.8, 0.00305462/step, 0.646393 hours remaining, 207.785156 MB of memory in use. ENERGY: 4238200 691.0601 2084.5953 1937.4511 116.1807 -205828.6060 17654.3430 0.0000 0.0000 34221.2873 -149123.6884 298.8630 -183344.9757 -149028.3319 299.2830 47.7539 83.8707 555430.5715 -1.7576 -1.6746 PRESSURE: 4238400 0.130927 -131.293 41.9534 -131.294 -230.116 108.363 41.9526 108.362 -114.087 GPRESSURE: 4238400 34.3999 -183.105 38.3091 -134.352 -218.896 196.794 45.1008 -7.23513 -66.5547 PRESSAVG: 4238400 33.7045 -33.1662 -23.4164 -33.1663 -11.0058 5.3901 -23.4164 5.39014 -7.46166 GPRESSAVG: 4238400 34.1194 -33.4458 -22.8538 -32.0328 -9.6518 6.2827 -25.1532 4.26397 -9.11304 TIMING: 4238400 CPU: 12726.4, 0.00306826/step Wall: 12726.4, 0.00306826/step, 0.649107 hours remaining, 207.785156 MB of memory in use. ENERGY: 4238400 753.3219 2090.8835 1927.7808 124.9117 -206093.2275 17752.7105 0.0000 0.0000 34246.5596 -149197.0596 299.0837 -183443.6192 -149097.5503 298.7143 -114.6905 -83.6835 558230.9072 5.0790 5.1182 PRESSURE: 4238600 -233.926 -25.7581 -102.418 -25.7587 -332.187 -153.899 -102.418 -153.899 -184.832 GPRESSURE: 4238600 -223.854 -50.8251 -60.1054 53.2212 -264.816 -141.86 -106.328 -156.27 -157.453 PRESSAVG: 4238600 -12.1669 -10.5898 -20.8387 -10.5898 -13.0361 -31.9083 -20.8387 -31.9082 44.3874 GPRESSAVG: 4238600 -13.1252 -9.26173 -20.4298 -10.6104 -12.4845 -32.8199 -19.2413 -32.8941 44.9474 TIMING: 4238600 CPU: 12727, 0.00305564/step Wall: 12727, 0.00305564/step, 0.646269 hours remaining, 207.785156 MB of memory in use. ENERGY: 4238600 785.0629 2088.8907 1959.2160 122.9508 -206115.5704 17547.1035 0.0000 0.0000 34433.1957 -149179.1507 300.7137 -183612.3465 -149089.6722 299.6820 -250.3150 -215.3744 557285.9075 6.3948 6.4459 PRESSURE: 4238800 -33.6219 -16.7656 71.3939 -16.7653 9.70486 -17.8779 71.3953 -17.8792 -20.7065 GPRESSURE: 4238800 33.6318 -7.77672 164.27 -43.1998 28.0431 -81.9346 13.7223 -85.2976 -6.63839 PRESSAVG: 4238800 -37.3161 -52.3248 60.7979 -52.3248 -15.6173 -54.9856 60.798 -54.9857 44.8062 GPRESSAVG: 4238800 -37.095 -52.9064 61.8036 -53.5246 -15.4278 -55.5777 60.6017 -51.5709 44.3203 TIMING: 4238800 CPU: 12727.7, 0.00305242/step Wall: 12727.7, 0.00305242/step, 0.645417 hours remaining, 207.785156 MB of memory in use. ENERGY: 4238800 753.8087 2100.9575 1957.4323 104.3538 -206401.8281 17903.3177 0.0000 0.0000 34330.4754 -149251.4828 299.8166 -183581.9582 -149156.9204 299.1900 -14.8745 18.3455 556836.7013 -2.7090 -2.7342 PRESSURE: 4239000 71.183 -89.4231 26.4389 -89.4236 128.619 10.0383 26.4371 10.0377 37.4293 GPRESSURE: 4239000 95.1888 -163.748 68.587 -187.899 146.513 -35.2623 -47.8964 62.9225 99.313 PRESSAVG: 4239000 -2.87312 -6.55523 -78.8972 -6.5553 -3.05313 56.8214 -78.8971 56.8214 6.0228 GPRESSAVG: 4239000 -2.43253 -6.59488 -78.1542 -5.96907 -4.28174 58.8744 -80.3685 57.2877 6.67592 TIMING: 4239000 CPU: 12728.3, 0.00304835/step Wall: 12728.3, 0.00304835/step, 0.644387 hours remaining, 207.785156 MB of memory in use. ENERGY: 4239000 722.0893 2140.5629 1952.6785 115.9842 -206242.7790 18006.3798 0.0000 0.0000 34079.1995 -149225.8848 297.6221 -183305.0844 -149129.3750 298.8402 79.0772 113.6716 557786.8105 0.0322 -0.0128 PRESSURE: 4239200 65.7673 -113.534 109.31 -113.533 196.162 -57.2599 109.31 -57.2606 155.906 GPRESSURE: 4239200 123.634 -100.984 64.2468 -118.974 213.538 15.6781 116.793 -129.246 189.432 PRESSAVG: 4239200 -27.6579 42.9163 -28.0016 42.9162 -85.2503 43.2157 -28.0016 43.2157 84.9908 GPRESSAVG: 4239200 -27.6916 43.7231 -29.6038 44.1271 -84.8506 42.5218 -27.6221 40.1262 84.7367 TIMING: 4239200 CPU: 12728.9, 0.00304479/step Wall: 12728.9, 0.00304479/step, 0.643465 hours remaining, 207.785156 MB of memory in use. ENERGY: 4239200 720.7849 2085.3569 1947.9147 128.6738 -206316.4087 17939.0392 0.0000 0.0000 34120.0224 -149374.6168 297.9786 -183494.6392 -149277.0743 298.6070 139.2787 175.5347 556943.4738 -9.3058 -9.2685 PRESSURE: 4239400 205.073 -216.446 -133.187 -216.446 -365.298 -175.424 -133.187 -175.422 101.379 GPRESSURE: 4239400 221.957 -166.413 -139.387 -261.933 -330.598 -130.995 -132.322 -190.143 134.232 PRESSAVG: 4239400 8.99197 1.94473 11.2895 1.94463 -20.6556 -28.505 11.2894 -28.5049 29.09 GPRESSAVG: 4239400 8.31409 0.612088 11.5091 1.66466 -19.9388 -26.8186 10.8914 -27.5743 29.1386 TIMING: 4239400 CPU: 12729.5, 0.00304021/step Wall: 12729.5, 0.00304021/step, 0.642329 hours remaining, 207.785156 MB of memory in use. ENERGY: 4239400 720.6152 2110.6018 1937.7708 108.8248 -206351.1366 17782.5511 0.0000 0.0000 34249.4772 -149441.2957 299.1092 -183690.7729 -149347.8276 298.8979 -19.6151 8.5301 556848.9934 5.8088 5.8380 PRESSURE: 4239600 -72.8156 -8.99515 -70.8458 -8.99723 147.074 -122.391 -70.8452 -122.39 -88.3387 GPRESSURE: 4239600 -7.42313 -95.139 -36.3546 26.292 116.304 -61.2731 -114.847 -26.5012 -24.5997 PRESSAVG: 4239600 3.96683 -19.4558 3.39477 -19.4559 -21.4211 -12.3433 3.39472 -12.3433 1.01916 GPRESSAVG: 4239600 4.667 -19.3993 4.34288 -18.3599 -21.7557 -12.9111 3.54355 -11.8351 1.01183 TIMING: 4239600 CPU: 12730.1, 0.00301628/step Wall: 12730.1, 0.00301628/step, 0.637105 hours remaining, 207.785156 MB of memory in use. ENERGY: 4239600 737.8276 2044.5920 1947.3423 123.5287 -206372.0994 17847.0081 0.0000 0.0000 34299.6419 -149372.1587 299.5473 -183671.8006 -149281.3241 298.3912 -4.6934 28.0938 556624.3264 -5.4784 -5.3589 PRESSURE: 4239800 -356.902 -95.8127 -125.848 -95.8109 -258.624 -14.6259 -125.849 -14.6245 -202.028 GPRESSURE: 4239800 -297.995 -63.9318 -155.056 -41.5842 -270.13 63.3846 -36.3404 -187.912 -156.225 PRESSAVG: 4239800 -53.966 -12.6296 4.83974 -12.6297 -75.7887 -20.5107 4.83969 -20.5107 85.7763 GPRESSAVG: 4239800 -53.9618 -12.4971 4.3045 -13.1525 -75.3462 -23.0189 3.67245 -18.2716 85.5617 TIMING: 4239800 CPU: 12730.7, 0.00302991/step Wall: 12730.7, 0.00302991/step, 0.639816 hours remaining, 207.785156 MB of memory in use. ENERGY: 4239800 770.6506 2089.0851 1936.2531 109.3192 -205764.1284 17387.1034 0.0000 0.0000 33970.5475 -149501.1695 296.6732 -183471.7170 -149401.7693 299.7612 -272.5178 -241.4503 556211.0559 -14.6595 -14.5821 PRESSURE: 4240000 -279.271 40.4192 110.314 40.4187 -110.057 -133.635 110.314 -133.635 254.713 GPRESSURE: 4240000 -226.066 41.3794 142.047 56.4887 -116.072 -168.869 21.2665 -122.671 307.309 PRESSAVG: 4240000 60.1707 39.8997 -15.2562 39.8997 -70.2052 -73.5719 -15.2564 -73.5719 52.2222 GPRESSAVG: 4240000 60.6747 41.4606 -16.3765 39.1182 -70.4123 -72.2374 -14.9634 -74.8165 51.502 TIMING: 4240000 CPU: 12731.3, 0.00304858/step Wall: 12731.3, 0.00304858/step, 0.643589 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: 4240000 726.6692 2060.0465 1958.1965 115.8340 -206370.8526 17681.9131 0.0000 0.0000 34416.0789 -149412.1143 300.5642 -183828.1932 -149325.0158 298.8948 -44.8717 -11.6096 556755.5129 14.0626 13.9215 PRESSURE: 4240200 -213.826 -7.15694 -68.6252 -7.15658 -97.7929 -145.857 -68.6247 -145.857 -174.002 GPRESSURE: 4240200 -152.398 -50.3257 -46.2545 -53.9652 -97.451 -127.786 -141.048 -195.207 -132.932 PRESSAVG: 4240200 -33.3326 19.492 -17.743 19.4921 -58.3459 -56.5823 -17.743 -56.5822 84.5916 GPRESSAVG: 4240200 -33.8175 19.1091 -16.2744 17.6543 -58.1413 -55.5966 -19.2623 -58.0983 84.6427 TIMING: 4240200 CPU: 12731.9, 0.00303166/step Wall: 12731.9, 0.00303166/step, 0.63985 hours remaining, 207.785156 MB of memory in use. ENERGY: 4240200 716.4659 2057.3769 1948.8806 106.6780 -206009.9407 17516.7209 0.0000 0.0000 34245.1223 -149418.6962 299.0712 -183663.8185 -149314.6986 298.7059 -161.8736 -127.5938 557260.0748 -2.3623 -2.4387 LDB: ============= START OF LOAD BALANCING ============== 12735.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12735.3 LDB: =============== DONE WITH MIGRATION ================ 12735.3 LDB: ============= START OF LOAD BALANCING ============== 12735.7 LDB: Largest compute 4820 load 0.024016 is 20.3% of average load 0.118107 LDB: Average compute 0.001736 is 1.5% of average load 0.118107 LDB: TIME 12735.7 LOAD: AVG 0.118107 MAX 0.22434 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.785 MB LDB: TIME 12735.7 LOAD: AVG 0.118107 MAX 0.22434 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.785 MB LDB: TIME 12735.7 LOAD: AVG 0.118107 MAX 0.22434 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.785 MB LDB: ============== END OF LOAD BALANCING =============== 12735.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 12735.7 Info: useSync: 0 useProxySync: 0 PRESSURE: 4240400 -162.279 34.4337 -9.90116 34.4333 -118.215 -83.7916 -9.90183 -83.7923 7.95453 GPRESSURE: 4240400 -120.603 17.5268 -176.089 43.4535 -129.257 -92.5235 8.97724 -74.8221 78.1372 PRESSAVG: 4240400 -85.7789 -16.6416 -8.00789 -16.6416 14.0979 -2.56268 -8.0078 -2.5627 75.4614 GPRESSAVG: 4240400 -85.5002 -16.4999 -9.99569 -16.0918 13.1811 -1.79648 -6.05654 -3.16777 76.3962 TIMING: 4240400 CPU: 12732.5, 0.00311243/step Wall: 12732.5, 0.00311243/step, 0.656724 hours remaining, 207.273438 MB of memory in use. ENERGY: 4240400 724.5950 2080.5588 1957.6129 109.9772 -206098.0882 17527.0860 0.0000 0.0000 34122.9912 -149575.2671 298.0046 -183698.2583 -149477.2474 298.6487 -90.8465 -57.2411 556693.5621 1.2601 1.3590 PRESSURE: 4240600 20.1185 -38.4151 155.358 -38.4158 -79.5708 -214.231 155.358 -214.231 -270.425 GPRESSURE: 4240600 34.9256 -61.6672 71.7865 -51.0905 -67.3186 -187.273 101.093 -221.7 -208.03 PRESSAVG: 4240600 -16.0247 -41.2432 -39.2456 -41.2431 -17.1228 -22.5595 -39.2457 -22.5596 45.7373 GPRESSAVG: 4240600 -16.8141 -41.1641 -37.0323 -42.3639 -17.1947 -22.5776 -38.9707 -20.7981 45.8298 TIMING: 4240600 CPU: 12733.1, 0.00305592/step Wall: 12733.1, 0.00305592/step, 0.644629 hours remaining, 207.273438 MB of memory in use. ENERGY: 4240600 778.5918 2090.5618 1932.1601 126.8874 -206215.3217 17546.2856 0.0000 0.0000 34123.9076 -149616.9273 298.0126 -183740.8350 -149518.8488 298.1134 -109.9591 -80.1409 557141.7373 4.1966 3.9404 PRESSURE: 4240800 105.156 -61.6324 -81.1181 -61.632 163.135 100.529 -81.1183 100.528 150.371 GPRESSURE: 4240800 145.554 -104.39 -106.251 -94.6781 143.544 155.693 -98.6865 30.3874 224.626 PRESSAVG: 4240800 18.8447 -19.4707 12.9417 -19.4708 12.9597 30.712 12.9418 30.712 -6.43485 GPRESSAVG: 4240800 19.274 -21.5344 10.4907 -16.9025 13.2121 29.0309 13.1592 28.9459 -7.24781 TIMING: 4240800 CPU: 12733.8, 0.00305857/step Wall: 12733.8, 0.00305857/step, 0.645018 hours remaining, 207.273438 MB of memory in use. ENERGY: 4240800 749.3509 2068.5658 1964.4731 114.4014 -206967.0094 18113.2613 0.0000 0.0000 34356.9682 -149599.9888 300.0479 -183956.9569 -149511.3769 298.8253 139.5541 171.2412 555641.4783 8.4565 8.4127 PRESSURE: 4241000 -60.8212 -21.286 -63.3346 -21.2855 -90.4868 -164.889 -63.3345 -164.889 215.379 GPRESSURE: 4241000 -2.60791 -48.8012 -65.5693 -89.8844 -148.033 -183.879 -45.4747 -28.8457 284.787 PRESSAVG: 4241000 74.1248 2.64662 2.13443 2.64668 -46.4084 42.4349 2.13457 42.435 -8.29034 GPRESSAVG: 4241000 74.161 4.93868 3.2029 0.160116 -45.5812 41.7212 2.27156 45.8911 -8.85631 TIMING: 4241000 CPU: 12734.4, 0.00303459/step Wall: 12734.4, 0.00303459/step, 0.639792 hours remaining, 207.273438 MB of memory in use. ENERGY: 4241000 727.9445 2078.7372 1947.3876 114.5701 -206576.4297 17976.0591 0.0000 0.0000 34171.6462 -149560.0851 298.4295 -183731.7313 -149460.7536 298.8049 21.3568 44.7156 557742.0394 6.4754 6.5745 PRESSURE: 4241200 -60.8392 -46.9188 177.49 -46.919 -272.989 -11.2045 177.49 -11.2048 -406.003 GPRESSURE: 4241200 -52.0259 -47.0986 161.194 -42.7847 -214.451 7.12808 173.45 17.7756 -380.123 PRESSAVG: 4241200 50.9466 21.9027 -3.99864 21.9027 -75.4086 23.9071 -3.99865 23.9071 38.5163 GPRESSAVG: 4241200 52.0657 21.8722 -4.41039 22.8324 -76.9369 26.0511 -5.51025 22.1417 38.622 TIMING: 4241200 CPU: 12735, 0.00304237/step Wall: 12735, 0.00304237/step, 0.641265 hours remaining, 207.273438 MB of memory in use. ENERGY: 4241200 738.6272 2068.4408 1935.8749 110.6784 -205759.1831 17486.0072 0.0000 0.0000 34039.5386 -149380.0160 297.2758 -183419.5546 -149290.9345 298.5747 -246.6103 -215.5332 557819.3001 4.6848 4.5836 PRESSURE: 4241400 -346.118 189.917 -199.465 189.917 210.907 -80.6731 -199.465 -80.674 -195.583 GPRESSURE: 4241400 -299.346 93.4206 -222.443 142.965 250.926 -107.203 -173.089 -81.3374 -185.445 PRESSAVG: 4241400 5.98281 51.5976 -50.699 51.5976 37.5252 -26.8767 -50.6992 -26.8766 -22.9473 GPRESSAVG: 4241400 5.19747 50.6663 -51.2923 51.6543 37.857 -28.1607 -50.6034 -26.3027 -22.5717 TIMING: 4241400 CPU: 12735.6, 0.00305152/step Wall: 12735.6, 0.00305152/step, 0.643024 hours remaining, 207.273438 MB of memory in use. ENERGY: 4241400 748.3062 2025.2459 1949.7804 112.5399 -206120.4263 17717.6294 0.0000 0.0000 34158.2048 -149408.7197 298.3121 -183566.9245 -149309.2719 298.8178 -110.2646 -77.9552 557797.2422 6.8536 6.8276 PRESSURE: 4241600 -128.746 -126.242 -2.93362 -126.242 -165.149 69.4784 -2.93446 69.476 -167.271 GPRESSURE: 4241600 -23.2835 -221.274 -1.43652 -102.991 -149.788 49.7518 3.94223 47.0627 -202.848 PRESSAVG: 4241600 -43.0834 -7.89763 -44.6159 -7.89757 18.7918 10.6241 -44.6158 10.6242 26.6197 GPRESSAVG: 4241600 -42.651 -7.98428 -43.4138 -10.3712 17.9017 9.64554 -42.9662 9.4026 26.66 TIMING: 4241600 CPU: 12736.2, 0.00308186/step Wall: 12736.2, 0.00308186/step, 0.649246 hours remaining, 207.273438 MB of memory in use. ENERGY: 4241600 738.3589 2120.3185 1922.7194 115.3678 -206190.7754 17733.1801 0.0000 0.0000 34095.9070 -149464.9236 297.7680 -183560.8306 -149372.4913 298.8628 -153.7222 -125.3062 558221.5695 0.7760 0.6369 PRESSURE: 4241800 -77.1279 -181.62 -52.0607 -181.62 88.8794 95.2179 -52.0602 95.2192 85.5461 GPRESSURE: 4241800 -35.6739 -249.127 -78.0219 -138.305 144.216 87.7957 -56.1669 61.1466 110.243 PRESSAVG: 4241800 -26.4685 -53.074 49.2357 -53.074 4.98816 -40.4477 49.2357 -40.4476 49.6297 GPRESSAVG: 4241800 -26.5688 -52.5075 51.202 -50.0575 6.00526 -37.9303 48.5088 -43.1655 48.7743 TIMING: 4241800 CPU: 12736.8, 0.00306542/step Wall: 12736.8, 0.00306542/step, 0.645611 hours remaining, 207.273438 MB of memory in use. ENERGY: 4241800 751.7960 2078.1649 1960.4899 129.9532 -206487.1346 18048.3951 0.0000 0.0000 34045.2914 -149473.0440 297.3260 -183518.3354 -149383.8533 297.8751 32.4325 72.9286 557017.0603 9.3831 9.4036 PRESSURE: 4242000 -41.4739 131.472 45.882 131.471 95.5795 -60.7426 45.8844 -60.7428 152.59 GPRESSURE: 4242000 -87.1224 89.7409 20.5922 199.621 199.595 -75.967 32.2021 -34.3397 183.68 PRESSAVG: 4242000 -46.9891 -12.7106 -0.457582 -12.7104 -19.419 -12.3417 -0.457572 -12.3416 94.7497 GPRESSAVG: 4242000 -46.5793 -12.5311 -1.71742 -13.8689 -21.1734 -14.7975 -0.502832 -9.02268 95.7194 TIMING: 4242000 CPU: 12737.4, 0.00306763/step Wall: 12737.4, 0.00306763/step, 0.645907 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: 4242000 746.7401 2123.1727 1908.4683 104.5179 -206810.0030 18143.9001 0.0000 0.0000 34186.4533 -149596.7505 298.5588 -183783.2039 -149498.4377 297.9078 68.8985 98.7174 558529.6965 9.4472 9.3222 PRESSURE: 4242200 35.1766 -109.581 19.572 -109.581 11.2347 51.5167 19.5715 51.5169 79.8889 GPRESSURE: 4242200 162.672 -142.233 88.8138 -122.758 11.0836 99.8413 80.1732 19.9113 48.4764 PRESSAVG: 4242200 66.3126 6.40074 29.7839 6.40081 -11.8685 6.91425 29.7839 6.91431 -13.4798 GPRESSAVG: 4242200 65.9685 6.66919 30.4994 6.87139 -10.6324 8.09336 29.6719 6.05818 -14.7251 TIMING: 4242200 CPU: 12738, 0.00302615/step Wall: 12738, 0.00302615/step, 0.637005 hours remaining, 207.273438 MB of memory in use. ENERGY: 4242200 763.2235 2133.6442 1935.2390 97.8774 -206482.2684 17962.2211 0.0000 0.0000 34061.4563 -149528.6069 297.4672 -183590.0633 -149434.7073 297.5056 42.1001 74.0775 557534.5943 13.6548 13.5370 PRESSURE: 4242400 -264.77 107.766 -51.4005 107.766 95.5443 143.219 -51.4002 143.221 -82.53 GPRESSURE: 4242400 -254.311 201.908 71.465 -27.8442 148.049 160.841 -133.791 75.2666 -42.776 PRESSAVG: 4242400 -58.3037 -21.5044 -41.4054 -21.5045 26.5133 -9.40564 -41.4055 -9.40572 17.0407 GPRESSAVG: 4242400 -59.4683 -22.0601 -42.0679 -20.72 25.761 -6.1522 -42.1777 -11.172 19.2864 TIMING: 4242400 CPU: 12738.6, 0.00302561/step Wall: 12738.6, 0.00302561/step, 0.636722 hours remaining, 207.273438 MB of memory in use. ENERGY: 4242400 726.6923 2060.6240 1966.7212 112.2115 -206222.4482 17677.8896 0.0000 0.0000 34048.7146 -149629.5950 297.3559 -183678.3096 -149532.3975 297.9643 -83.9185 -49.6794 557811.9870 -4.9166 -4.8070 PRESSURE: 4242600 -117.656 -52.2601 123.963 -52.2593 -131.381 63.6895 123.964 63.6878 -122.759 GPRESSURE: 4242600 -93.022 -48.7184 67.3789 -39.1759 -64.822 41.8886 130.311 91.6841 -124.581 PRESSAVG: 4242600 14.4108 -28.0738 -8.94522 -28.0737 -0.784541 32.0766 -8.94518 32.0766 -33.29 GPRESSAVG: 4242600 14.512 -27.4473 -9.23086 -28.6505 -0.180753 28.3972 -8.5712 34.6164 -34.4543 TIMING: 4242600 CPU: 12739.2, 0.00303758/step Wall: 12739.2, 0.00303758/step, 0.639074 hours remaining, 207.273438 MB of memory in use. ENERGY: 4242600 737.3481 2052.2184 1951.4080 106.8836 -205866.1857 17514.0317 0.0000 0.0000 33969.9974 -149534.2985 296.6684 -183504.2960 -149437.4860 297.7359 -123.9318 -94.1417 558559.6521 -6.5546 -6.7077 PRESSURE: 4242800 115.183 52.6153 84.7213 52.6163 -119.121 11.6288 84.7223 11.6277 52.9148 GPRESSURE: 4242800 129.882 65.1454 69.4236 52.7467 -104.839 -14.1526 127.717 26.6037 114.073 PRESSAVG: 4242800 -40.7378 45.2241 -20.2398 45.2241 40.7824 -49.6051 -20.2398 -49.6052 -31.3921 GPRESSAVG: 4242800 -40.9223 45.7772 -20.0197 44.7313 41.4472 -47.755 -19.131 -50.4678 -32.0041 TIMING: 4242800 CPU: 12739.8, 0.00303389/step Wall: 12739.8, 0.00303389/step, 0.638128 hours remaining, 207.273438 MB of memory in use. ENERGY: 4242800 742.7554 2110.4457 1942.5633 117.7840 -206396.1085 17891.2596 0.0000 0.0000 34064.9599 -149526.3405 297.4978 -183591.3005 -149429.3452 298.0383 16.3257 46.3721 556173.7550 -10.4492 -10.4931 PRESSURE: 4243000 -332.116 86.3705 -128.476 86.372 4.76676 110.725 -128.475 110.724 -330.976 GPRESSURE: 4243000 -277.019 52.901 -138.804 145.209 9.073 76.7558 -155.562 46.5088 -290.95 PRESSAVG: 4243000 -13.2228 64.0884 9.06168 64.0884 102.122 30.4792 9.06162 30.4792 -69.6929 GPRESSAVG: 4243000 -12.4957 62.5894 9.6389 64.8352 101.619 29.7521 8.73245 30.8887 -70.263 TIMING: 4243000 CPU: 12740.5, 0.0030182/step Wall: 12740.5, 0.0030182/step, 0.634661 hours remaining, 207.273438 MB of memory in use. ENERGY: 4243000 791.9997 2058.4553 1976.5808 113.9821 -206179.4474 17473.3909 0.0000 0.0000 34148.4473 -149616.5913 298.2269 -183765.0386 -149516.0083 297.7027 -219.4417 -186.2987 556629.0055 6.4020 6.2868 PRESSURE: 4243200 -34.0575 -103.256 -81.8258 -103.257 -136.648 147.943 -81.8253 147.943 117.003 GPRESSURE: 4243200 15.0549 -135.129 5.33371 -21.4303 -100.746 25.1416 -113.371 161.653 118.815 PRESSAVG: 4243200 -58.1738 -49.8255 -23.6801 -49.8255 126.141 51.4572 -23.6801 51.4573 -49.4831 GPRESSAVG: 4243200 -59.8554 -49.9487 -24.6219 -49.1613 126.73 51.6796 -21.0646 50.7929 -48.1721 TIMING: 4243200 CPU: 12741.1, 0.00302432/step Wall: 12741.1, 0.00302432/step, 0.63578 hours remaining, 207.273438 MB of memory in use. ENERGY: 4243200 747.8694 2084.9632 1931.8669 108.7242 -206484.7144 17931.1962 0.0000 0.0000 34111.2027 -149568.8917 297.9016 -183680.0944 -149480.0756 297.7796 -17.9010 11.0410 556341.4172 6.1613 6.2343 PRESSURE: 4243400 -120.074 39.4032 -77.9123 39.4026 -51.9041 -62.0615 -77.9125 -62.0636 -2.04901 GPRESSURE: 4243400 -67.5962 5.48483 -58.0778 84.0245 -2.44716 -60.6428 -84.5273 19.1187 -9.65759 PRESSAVG: 4243400 -34.4661 8.855 21.9049 8.855 11.9795 31.9226 21.9048 31.9227 73.3056 GPRESSAVG: 4243400 -35.1912 8.57762 22.0953 9.26597 13.81 30.5407 18.4012 32.158 72.4733 TIMING: 4243400 CPU: 12741.7, 0.00303232/step Wall: 12741.7, 0.00303232/step, 0.637293 hours remaining, 207.273438 MB of memory in use. ENERGY: 4243400 743.4718 2141.6816 1933.0263 112.7325 -206332.5733 17709.9993 0.0000 0.0000 34378.5718 -149313.0901 300.2366 -183691.6619 -149222.0020 298.9037 -58.0090 -26.5670 556010.2815 16.9397 17.0307 PRESSURE: 4243600 198.001 -43.6088 -24.7359 -43.6077 -182.819 -0.167909 -24.7365 -0.168562 75.0149 GPRESSURE: 4243600 218.622 71.3761 -25.5961 -22.3714 -124.527 27.1704 16.141 -12.7322 92.9255 PRESSAVG: 4243600 36.523 37.4467 31.9148 37.4467 -30.2031 -38.805 31.9147 -38.8049 5.16899 GPRESSAVG: 4243600 37.6113 40.1522 31.8033 34.4035 -33.224 -35.0057 35.4592 -41.281 7.27385 TIMING: 4243600 CPU: 12742.3, 0.00305923/step Wall: 12742.3, 0.00305923/step, 0.642778 hours remaining, 207.273438 MB of memory in use. ENERGY: 4243600 759.0541 2086.9165 1943.9095 111.2561 -206266.7062 17807.8782 0.0000 0.0000 34336.6386 -149221.0531 299.8704 -183557.6917 -149122.3500 299.7066 30.0655 62.3400 557741.9687 3.8296 3.8871 PRESSURE: 4243800 59.3271 -1.30635 88.7673 -1.30675 -93.9792 -202.174 88.7671 -202.173 111.007 GPRESSURE: 4243800 61.0897 -89.3062 -28.7899 9.36378 -15.1013 -169.295 91.0872 -221.932 131.828 PRESSAVG: 4243800 54.4473 -43.3683 1.29146 -43.3684 -20.1112 22.7837 1.29147 22.7838 -31.6664 GPRESSAVG: 4243800 54.919 -45.3726 2.18505 -42.3295 -18.8557 19.9135 -0.325212 25.4541 -32.8382 TIMING: 4243800 CPU: 12742.9, 0.00309536/step Wall: 12742.9, 0.00309536/step, 0.650198 hours remaining, 207.273438 MB of memory in use. ENERGY: 4243800 739.5706 2145.3421 1932.8254 111.5999 -206141.6334 17748.3916 0.0000 0.0000 34468.0872 -148995.8167 301.0184 -183463.9038 -148906.9313 299.3577 25.4515 59.2721 559795.0000 0.8899 1.0750 PRESSURE: 4244000 -67.3109 34.1089 -123.275 34.1086 -377.193 107.919 -123.276 107.918 -314.61 GPRESSURE: 4244000 -29.3361 -20.6695 -84.3485 41.4797 -378.24 134.401 -48.8228 62.8436 -249.842 PRESSAVG: 4244000 82.1932 -37.9249 14.057 -37.9249 -59.5952 26.5892 14.0569 26.5892 -26.1326 GPRESSAVG: 4244000 81.9522 -38.7728 14.7658 -37.6533 -60.0486 29.2835 12.4752 25.724 -26.0336 TIMING: 4244000 CPU: 12743.5, 0.00305525/step Wall: 12743.5, 0.00305525/step, 0.641602 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: 4244000 793.1586 2078.9059 1925.9649 104.9211 -205869.1558 17612.5082 0.0000 0.0000 34297.2334 -149056.4636 299.5263 -183353.6970 -148964.9331 299.4258 -253.0378 -219.1394 560232.1597 -1.1782 -1.3767 PRESSURE: 4244200 -274.741 -107.104 -69.7711 -107.104 -391.434 3.57896 -69.7709 3.57892 -67.3098 GPRESSURE: 4244200 -199.477 -142.893 -68.2558 -149.768 -369.84 48.922 -59.7436 19.6047 -80.5085 PRESSAVG: 4244200 14.3402 -2.36543 -30.9139 -2.36552 -24.035 16.7397 -30.914 16.7397 -22.5271 GPRESSAVG: 4244200 14.7628 -2.69046 -32.6353 -2.20282 -24.0775 16.6876 -30.3251 16.6835 -23.04 TIMING: 4244200 CPU: 12744.1, 0.00304474/step Wall: 12744.1, 0.00304474/step, 0.639227 hours remaining, 207.273438 MB of memory in use. ENERGY: 4244200 758.3732 2123.2242 1945.8656 104.5959 -205720.3750 17626.0293 0.0000 0.0000 34265.9896 -148896.2972 299.2534 -183162.2868 -148792.1587 299.7976 -244.4947 -216.6085 560623.2091 -10.7406 -10.7849 LDB: ============= START OF LOAD BALANCING ============== 12747.6 LDB: ============== END OF LOAD BALANCING =============== 12747.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12747.6 LDB: ============= START OF LOAD BALANCING ============== 12747.9 LDB: Largest compute 4820 load 0.024957 is 21.1% of average load 0.118161 LDB: Average compute 0.001735 is 1.5% of average load 0.118161 LDB: TIME 12747.9 LOAD: AVG 0.118161 MAX 0.226384 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.719 MB LDB: TIME 12747.9 LOAD: AVG 0.118161 MAX 0.226384 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.723 MB LDB: TIME 12747.9 LOAD: AVG 0.118161 MAX 0.226384 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.723 MB LDB: ============== END OF LOAD BALANCING =============== 12747.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12747.9 PRESSURE: 4244400 27.3929 -119.718 -4.08758 -119.718 -43.5895 184.765 -4.08736 184.766 -38.0346 GPRESSURE: 4244400 26.1936 -57.6337 69.2004 -90.3372 3.21072 49.7642 -16.1856 172.151 10.3305 PRESSAVG: 4244400 -0.0343433 -30.4137 -27.1399 -30.4138 15.2538 46.5234 -27.1399 46.5234 -12.4828 GPRESSAVG: 4244400 0.366155 -30.559 -27.4471 -31.0388 15.6275 44.7453 -26.4093 47.5557 -13.088 TIMING: 4244400 CPU: 12744.7, 0.00311702/step Wall: 12744.7, 0.00311702/step, 0.654228 hours remaining, 209.261719 MB of memory in use. ENERGY: 4244400 815.5953 2133.7773 1959.8169 108.1450 -206155.5953 17884.2110 0.0000 0.0000 34319.7201 -148934.3296 299.7227 -183254.0497 -148840.6794 300.0633 -18.0770 13.2450 557288.0981 0.9122 0.9686 PRESSURE: 4244600 76.1531 -120.759 -56.6779 -120.76 149.063 37.3691 -56.6771 37.3674 -171.293 GPRESSURE: 4244600 120.389 -153.089 -75.9129 -90.4251 207.153 65.7514 -103.404 57.4296 -163.588 PRESSAVG: 4244600 13.9218 -58.8323 -1.06497 -58.8323 37.1487 -15.1505 -1.06497 -15.1507 -20.6652 GPRESSAVG: 4244600 14.4326 -57.0704 0.767503 -58.1844 36.4367 -15.1496 -3.35758 -16.024 -20.6044 TIMING: 4244600 CPU: 12745.3, 0.00302468/step Wall: 12745.3, 0.00302468/step, 0.634678 hours remaining, 209.261719 MB of memory in use. ENERGY: 4244600 773.1568 2145.8074 1939.0732 104.2752 -205984.6949 17857.9883 0.0000 0.0000 34351.9137 -148812.4802 300.0038 -183164.3939 -148717.4086 299.9511 17.9745 54.6513 557913.2732 10.1351 10.0883 PRESSURE: 4244800 129.902 -114.989 -79.0901 -114.989 -15.4543 -8.70196 -79.0881 -8.70299 -161.291 GPRESSURE: 4244800 155.054 -103.738 -25.6297 -35.1835 23.5748 -61.8512 -126.65 13.2209 -129.584 PRESSAVG: 4244800 16.7283 -55.0493 -30.6191 -55.0493 78.1667 20.2306 -30.6191 20.2305 -66.7118 GPRESSAVG: 4244800 15.7476 -56.7137 -30.9985 -53.3767 78.3607 20.0495 -30.215 19.5322 -66.2064 TIMING: 4244800 CPU: 12745.9, 0.0030113/step Wall: 12745.9, 0.0030113/step, 0.631703 hours remaining, 209.261719 MB of memory in use. ENERGY: 4244800 748.5856 2132.3242 1918.8393 118.2649 -205725.5925 17563.0714 0.0000 0.0000 34536.9656 -148707.5415 301.6199 -183244.5071 -148607.6112 300.2724 -15.6145 16.3481 557827.5583 9.3944 9.3006 PRESSURE: 4245000 -394.938 35.2802 25.5552 35.2803 -233.009 -42.061 25.555 -42.0619 -315.818 GPRESSURE: 4245000 -338.733 -61.7087 175.254 95.7472 -203.812 -39.586 -100.326 1.66187 -300.194 PRESSAVG: 4245000 -83.5758 -12.7725 -33.6544 -12.7725 68.9964 23.0553 -33.6544 23.0554 28.9475 GPRESSAVG: 4245000 -83.1258 -11.1896 -32.5886 -15.7026 68.4741 23.8384 -32.8368 22.6996 28.971 TIMING: 4245000 CPU: 12746.6, 0.0030295/step Wall: 12746.6, 0.0030295/step, 0.635354 hours remaining, 209.261719 MB of memory in use. ENERGY: 4245000 789.0628 2130.9881 1928.0141 111.2495 -205574.6690 17432.0605 0.0000 0.0000 34126.4795 -149056.8144 298.0350 -183183.2940 -148968.9369 300.5687 -314.5885 -280.9131 558074.9491 4.7894 4.7731 PRESSURE: 4245200 -8.11304 -9.81926 39.6197 -9.81776 73.8229 -90.2009 39.6201 -90.2007 -36.7034 GPRESSURE: 4245200 6.99878 24.6996 -55.5232 4.91247 140.664 -48.8529 157.193 -75.8763 -12.4775 PRESSAVG: 4245200 -79.7975 -3.63935 2.84125 -3.63925 56.759 -15.2472 2.8413 -15.2472 27.884 GPRESSAVG: 4245200 -78.8859 -5.28187 0.698999 -0.703739 57.2521 -16.6735 2.70063 -14.4767 27.1846 TIMING: 4245200 CPU: 12747.2, 0.0030379/step Wall: 12747.2, 0.0030379/step, 0.636947 hours remaining, 209.261719 MB of memory in use. ENERGY: 4245200 763.0328 2151.9592 1949.1339 113.6514 -206591.1242 18137.6243 0.0000 0.0000 34320.2195 -149155.5031 299.7270 -183475.7226 -149062.7004 300.2350 9.6688 45.0618 558705.6561 1.6152 1.8503 PRESSURE: 4245400 -181.599 -105.357 69.6802 -105.356 104.566 -38.9275 69.6789 -38.9277 -35.6926 GPRESSURE: 4245400 -162.988 -103.313 108.695 -87.0517 149.861 -112.834 10.1031 7.06259 -9.19538 PRESSAVG: 4245400 -43.7646 -67.6291 -51.1726 -67.6291 -13.5576 -38.6423 -51.1726 -38.6424 47.3922 GPRESSAVG: 4245400 -44.9814 -65.03 -50.5792 -69.6341 -11.7604 -38.365 -51.4606 -37.8917 47.5687 TIMING: 4245400 CPU: 12747.8, 0.00301536/step Wall: 12747.8, 0.00301536/step, 0.632054 hours remaining, 209.261719 MB of memory in use. ENERGY: 4245400 763.3220 2096.5274 1914.6014 116.6130 -206111.4668 17711.3318 0.0000 0.0000 34302.1020 -149206.9692 299.5688 -183509.0712 -149102.3370 299.2745 -37.5751 -7.4411 559239.4492 -3.3100 -3.0577 PRESSURE: 4245600 16.5888 20.1887 -125.357 20.1892 35.4489 172.402 -125.356 172.403 -379.756 GPRESSURE: 4245600 9.73228 1.76445 -206.986 -49.7471 106.987 160.426 -106.821 256.794 -355.941 PRESSAVG: 4245600 -47.3642 -12.313 -5.36487 -12.313 29.2654 -6.95699 -5.36492 -6.95694 40.0579 GPRESSAVG: 4245600 -47.0143 -12.6634 -5.27504 -11.9871 27.3995 -7.41261 -4.61013 -7.22688 41.1751 TIMING: 4245600 CPU: 12748.4, 0.00302889/step Wall: 12748.4, 0.00302889/step, 0.634721 hours remaining, 209.261719 MB of memory in use. ENERGY: 4245600 734.2190 2157.3714 1960.2213 116.4214 -206366.6718 17727.9689 0.0000 0.0000 34308.0692 -149362.4007 299.6209 -183670.4699 -149266.1230 299.3632 -109.2394 -79.7406 557140.4281 7.3197 7.1868 PRESSURE: 4245800 -249.931 53.364 54.9579 53.3646 -183.964 21.5987 54.9583 21.598 -76.8661 GPRESSURE: 4245800 -176.421 95.4549 34.932 10.6995 -169.68 5.34477 99.7603 131.558 -69.0872 PRESSAVG: 4245800 -12.1217 32.8446 12.1301 32.8446 -26.7352 20.0231 12.1302 20.0231 7.80315 GPRESSAVG: 4245800 -11.9334 30.094 13.7481 34.0591 -26.4473 20.5267 12.1291 19.8771 7.21952 TIMING: 4245800 CPU: 12749, 0.00301167/step Wall: 12749, 0.00301167/step, 0.630944 hours remaining, 209.261719 MB of memory in use. ENERGY: 4245800 761.1310 2119.1966 1950.1929 119.2016 -206102.7971 17701.6091 0.0000 0.0000 34260.7103 -149190.7556 299.2073 -183451.4658 -149090.1700 299.4222 -170.2538 -138.3962 557938.7728 -10.3513 -10.3870 PRESSURE: 4246000 -188.347 99.1202 -113.637 99.1207 -305.499 -78.735 -113.637 -78.7343 -227.599 GPRESSURE: 4246000 -85.5319 -24.1405 -75.9734 101.28 -315.77 -71.6009 -113.991 -37.3086 -218.719 PRESSAVG: 4246000 -9.72316 25.8566 3.10859 25.8567 -62.316 1.86357 3.10859 1.86361 31.6589 GPRESSAVG: 4246000 -9.75028 25.9736 1.55339 24.1858 -62.4026 1.64076 2.67817 2.71124 31.803 TIMING: 4246000 CPU: 12749.6, 0.00304099/step Wall: 12749.6, 0.00304099/step, 0.636918 hours remaining, 209.261719 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: 4246000 765.2179 2089.0831 1955.8196 107.4633 -205901.9999 17428.4761 0.0000 0.0000 34158.1645 -149397.7755 298.3117 -183555.9399 -149294.4410 299.3632 -240.4816 -206.6738 557677.5869 -13.4601 -13.4500 PRESSURE: 4246200 114.246 142.198 10.2641 142.197 -397.279 -112.188 10.264 -112.189 108.55 GPRESSURE: 4246200 166.043 164.649 3.45715 77.5162 -320.397 -88.8632 34.8004 -112.584 69.0782 PRESSAVG: 4246200 -37.4083 60.0221 -13.2278 60.022 15.2345 -32.6517 -13.2278 -32.6518 -20.7741 GPRESSAVG: 4246200 -37.1984 61.3806 -15.1188 59.3169 13.7452 -32.6608 -13.1842 -31.4272 -20.4216 TIMING: 4246200 CPU: 12750.2, 0.00305684/step Wall: 12750.2, 0.00305684/step, 0.640069 hours remaining, 209.261719 MB of memory in use. ENERGY: 4246200 741.8754 2135.6434 1952.8347 122.2248 -206113.8418 17708.2278 0.0000 0.0000 33963.6685 -149489.3672 296.6132 -183453.0358 -149395.4986 299.0284 -58.1608 -28.4253 556441.0609 -14.3160 -14.6249 PRESSURE: 4246400 104.393 86.713 -18.9557 86.7138 -143.924 90.5325 -18.9553 90.534 74.5438 GPRESSURE: 4246400 134.791 126.663 93.6814 7.40443 -88.052 68.7186 -101.641 72.5213 94.3702 PRESSAVG: 4246400 55.4052 24.2563 -14.402 24.2564 -6.27604 2.75276 -14.4021 2.7528 -1.15934 GPRESSAVG: 4246400 55.8707 24.7899 -14.145 23.7955 -5.2883 0.369603 -14.2677 2.85219 -1.88077 TIMING: 4246400 CPU: 12750.8, 0.0030318/step Wall: 12750.8, 0.0030318/step, 0.634657 hours remaining, 209.261719 MB of memory in use. ENERGY: 4246400 765.3067 2095.8398 1918.4152 108.1772 -206306.5037 17779.3172 0.0000 0.0000 34256.0125 -149383.4349 299.1663 -183639.4474 -149286.8779 298.5755 11.6711 47.0363 557900.3920 15.9899 16.2339 PRESSURE: 4246600 85.9352 -105.564 -8.4826 -105.565 -319.255 18.2923 -8.48302 18.2931 -82.9325 GPRESSURE: 4246600 128.118 -87.6524 -3.40631 -78.9553 -296.274 25.9639 34.9176 -18.3775 -58.8041 PRESSAVG: 4246600 26.63 -22.4015 2.06416 -22.4016 1.26168 5.00651 2.06396 5.00642 -30.4892 GPRESSAVG: 4246600 25.8851 -24.0714 2.36461 -20.14 1.02721 8.9583 1.74918 2.17645 -29.5043 TIMING: 4246600 CPU: 12751.4, 0.00306656/step Wall: 12751.4, 0.00306656/step, 0.641762 hours remaining, 209.261719 MB of memory in use. ENERGY: 4246600 749.3276 2083.7660 1914.2249 116.7916 -206074.4381 17750.1598 0.0000 0.0000 34105.6109 -149354.5574 297.8528 -183460.1683 -149254.1563 298.6874 -105.4174 -75.6536 558470.8565 -0.8658 -0.8640 PRESSURE: 4246800 268.705 -14.4293 -104.588 -14.4293 -139.532 126.751 -104.588 126.75 20.0019 GPRESSURE: 4246800 366.791 -61.0249 -153.744 54.5365 -140.662 180.412 -149.302 52.4758 38.2078 PRESSAVG: 4246800 27.1012 34.4002 -26.6952 34.4002 -56.8083 35.7694 -26.6953 35.7694 10.9908 GPRESSAVG: 4246800 28.1424 36.1208 -24.1201 33.8696 -56.4453 33.1251 -28.5124 36.3436 9.44926 TIMING: 4246800 CPU: 12752, 0.00302827/step Wall: 12752, 0.00302827/step, 0.633581 hours remaining, 209.261719 MB of memory in use. ENERGY: 4246800 713.0548 2091.1711 1967.1509 114.5817 -206245.1370 17786.3212 0.0000 0.0000 34123.7077 -149449.1496 298.0108 -183572.8573 -149347.4602 299.1964 49.7247 88.1122 557506.6798 -6.2388 -6.2846 PRESSURE: 4247000 -26.0405 39.7156 -4.26799 39.7164 48.1334 161.276 -4.26887 161.276 373.378 GPRESSURE: 4247000 34.2521 58.4598 8.33584 31.2793 107.802 119.632 16.9273 124.957 347.512 PRESSAVG: 4247000 9.52859 32.1495 -40.3681 32.1495 5.42124 35.9762 -40.3681 35.9762 27.6454 GPRESSAVG: 4247000 9.81548 31.8812 -41.8879 31.2322 5.03812 36.4193 -36.9156 38.4711 27.7637 TIMING: 4247000 CPU: 12752.6, 0.00303882/step Wall: 12752.6, 0.00303882/step, 0.63562 hours remaining, 209.261719 MB of memory in use. ENERGY: 4247000 745.8366 2080.0766 1936.4239 125.9428 -206601.8236 18014.5925 0.0000 0.0000 34204.2189 -149494.7323 298.7140 -183698.9513 -149398.9364 298.7808 131.8236 163.1887 557082.9967 14.1984 14.2058 PRESSURE: 4247200 85.9666 -12.6051 167.637 -12.6058 -111.701 14.4555 167.638 14.4558 -120.642 GPRESSURE: 4247200 92.4103 5.59603 178.35 31.8039 -20.0862 -38.0382 151.336 13.2876 -121.255 PRESSAVG: 4247200 35.2991 1.75206 -9.8836 1.75202 -49.1122 27.9368 -9.88363 27.9368 51.5775 GPRESSAVG: 4247200 34.412 -0.475525 -8.7424 2.51669 -48.2481 27.8596 -11.4161 27.981 51.2007 TIMING: 4247200 CPU: 12753.2, 0.0030546/step Wall: 12753.2, 0.0030546/step, 0.63875 hours remaining, 209.261719 MB of memory in use. ENERGY: 4247200 739.8370 2136.6654 1939.2360 112.9889 -206195.3521 17766.4202 0.0000 0.0000 34050.1706 -149450.0340 297.3686 -183500.2047 -149350.2820 297.8253 -48.7921 -16.3102 557665.5796 12.5881 12.4548 PRESSURE: 4247400 49.3632 83.6991 -140.47 83.7001 -12.7402 88.5261 -140.469 88.5261 39.3907 GPRESSURE: 4247400 77.7382 19.2637 -84.7414 73.9969 25.6897 178.887 -164.806 -50.9789 57.3019 PRESSAVG: 4247400 -27.0451 -33.7002 -20.6409 -33.7003 -0.457725 27.4244 -20.6409 27.4245 70.5785 GPRESSAVG: 4247400 -26.958 -31.0842 -20.4464 -35.9371 -0.783352 28.6354 -22.1976 26.1119 70.8645 TIMING: 4247400 CPU: 12753.8, 0.00305605/step Wall: 12753.8, 0.00305605/step, 0.638885 hours remaining, 209.261719 MB of memory in use. ENERGY: 4247400 751.4243 2095.1987 1952.1909 115.6530 -206307.1863 17821.9084 0.0000 0.0000 34159.9068 -149410.9041 298.3270 -183570.8110 -149312.0249 298.3296 25.3379 53.5766 556610.7290 14.3585 14.3744 PRESSURE: 4247600 -84.4316 -238.371 50.2682 -238.371 -98.0416 24.8492 50.2684 24.8494 -204.901 GPRESSURE: 4247600 -32.9667 -197.568 -67.177 -225.269 -87.5067 55.94 132.874 -16.058 -168.851 PRESSAVG: 4247600 72.4285 -88.0334 22.2032 -88.0332 -55.9797 -39.9539 22.2031 -39.9539 -4.79684 GPRESSAVG: 4247600 72.7279 -89.6923 21.505 -85.4763 -56.5452 -39.7814 23.4531 -39.9589 -4.26539 TIMING: 4247600 CPU: 12754.5, 0.00307761/step Wall: 12754.5, 0.00307761/step, 0.643221 hours remaining, 209.261719 MB of memory in use. ENERGY: 4247600 759.8097 2160.8254 1939.8471 103.3993 -206066.9174 17655.3408 0.0000 0.0000 34274.4459 -149173.2492 299.3273 -183447.6951 -149075.9452 299.2271 -129.1246 -96.4416 557557.2532 3.8840 3.9724 PRESSURE: 4247800 -273.04 -176.693 -141.548 -176.692 -117.574 -60.8083 -141.548 -60.8084 -91.3389 GPRESSURE: 4247800 -181.314 -93.8006 -78.7322 -187.263 -95.442 -116.285 -120.781 -46.8511 -99.334 PRESSAVG: 4247800 35.8543 -7.0511 -16.65 -7.05106 -31.3426 -17.4206 -16.65 -17.4205 36.3752 GPRESSAVG: 4247800 35.8247 -3.56101 -16.8049 -8.8421 -32.0067 -15.5193 -16.7671 -20.4376 37.9448 TIMING: 4247800 CPU: 12755.1, 0.0030762/step Wall: 12755.1, 0.0030762/step, 0.642755 hours remaining, 209.261719 MB of memory in use. ENERGY: 4247800 781.0747 2084.6325 1933.2620 123.0444 -206120.6460 17698.1877 0.0000 0.0000 34259.2228 -149241.2220 299.1943 -183500.4447 -149147.9372 299.4570 -160.6509 -125.3633 557212.4970 13.6290 13.9209 PRESSURE: 4248000 -62.9585 -83.746 -13.5032 -83.7475 -96.5127 -156.181 -13.5044 -156.181 -25.866 GPRESSURE: 4248000 -45.8728 -134.935 -29.631 -11.1958 -63.5987 -104.766 9.66217 -144.934 25.5832 PRESSAVG: 4248000 25.0737 30.7001 6.61709 30.7001 -56.3049 -14.4747 6.61712 -14.4747 24.6685 GPRESSAVG: 4248000 24.9094 28.3468 8.31028 32.8826 -54.9324 -15.2885 7.559 -12.0459 23.568 TIMING: 4248000 CPU: 12755.7, 0.00305493/step Wall: 12755.7, 0.00305493/step, 0.63814 hours remaining, 209.261719 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: 4248000 755.2573 2078.7279 1957.2432 120.6129 -206283.5664 17864.9786 0.0000 0.0000 34594.7701 -148911.9765 302.1247 -183506.7466 -148814.4320 300.2261 -61.7791 -27.9628 557292.4908 -2.1876 -2.1517 PRESSURE: 4248200 -237.12 -2.75676 40.1495 -2.75589 -143.356 -13.6335 40.1483 -13.6316 141.053 GPRESSURE: 4248200 -186.707 21.9748 81.1501 48.0222 -138.175 -57.5036 55.7371 -18.6704 173.607 PRESSAVG: 4248200 -81.0346 -2.81721 22.2797 -2.81723 63.4024 -9.97557 22.2797 -9.9756 -8.28041 GPRESSAVG: 4248200 -80.1855 -3.73968 19.9149 -2.76915 61.9958 -9.47315 23.3495 -10.4712 -7.39298 TIMING: 4248200 CPU: 12756.3, 0.00303383/step Wall: 12756.3, 0.00303383/step, 0.633564 hours remaining, 209.261719 MB of memory in use. ENERGY: 4248200 772.0892 2092.8580 1926.4677 113.2369 -205424.1077 17487.8154 0.0000 0.0000 34305.7200 -148725.9205 299.6004 -183031.6405 -148626.9429 300.6169 -79.8077 -50.4250 558260.5769 -8.6375 -8.5276 LDB: ============= START OF LOAD BALANCING ============== 12759.7 LDB: ============== END OF LOAD BALANCING =============== 12759.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12759.7 LDB: ============= START OF LOAD BALANCING ============== 12760 LDB: Largest compute 4820 load 0.023793 is 20.1% of average load 0.118105 LDB: Average compute 0.001742 is 1.5% of average load 0.118105 LDB: TIME 12760 LOAD: AVG 0.118105 MAX 0.220794 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.648 MB LDB: TIME 12760 LOAD: AVG 0.118105 MAX 0.220794 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.676 MB LDB: TIME 12760 LOAD: AVG 0.118105 MAX 0.220794 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.676 MB LDB: ============== END OF LOAD BALANCING =============== 12760 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12760 PRESSURE: 4248400 -18.1756 65.1503 -31.9141 65.152 11.1202 -166.982 -31.9141 -166.983 -171.628 GPRESSURE: 4248400 -34.1191 -21.7006 2.08744 94.5114 47.285 -168.798 -18.7355 -175.664 -87.9459 PRESSAVG: 4248400 -21.8213 -66.7456 -13.11 -66.7456 22.8194 5.98005 -13.1101 5.98009 -3.11872 GPRESSAVG: 4248400 -24.2509 -64.9603 -11.2626 -67.6588 24.9075 7.29394 -15.0867 3.69078 -3.33841 TIMING: 4248400 CPU: 12756.9, 0.00312594/step Wall: 12756.9, 0.00312594/step, 0.652626 hours remaining, 207.773438 MB of memory in use. ENERGY: 4248400 754.0360 2072.5544 1923.7501 125.9684 -205750.2434 17687.5015 0.0000 0.0000 34261.0827 -148925.3503 299.2106 -183186.4330 -148832.8300 299.9672 -59.5612 -24.9267 558847.3173 -0.7069 -0.8940 PRESSURE: 4248600 -169.349 -130.226 -10.8182 -130.226 -216.952 -167.646 -10.8172 -167.647 -175.199 GPRESSURE: 4248600 -75.0564 -114.686 1.21469 -87.4401 -244.291 -222.383 -52.2117 -162.367 -133.464 PRESSAVG: 4248600 29.8488 -30.5779 -32.4158 -30.5779 -24.9227 -42.6753 -32.4159 -42.6752 12.0071 GPRESSAVG: 4248600 31.0238 -31.7156 -32.1765 -28.5067 -25.684 -46.4317 -32.9896 -39.5131 11.7216 TIMING: 4248600 CPU: 12757.5, 0.003028/step Wall: 12757.5, 0.003028/step, 0.632012 hours remaining, 207.843750 MB of memory in use. ENERGY: 4248600 752.1737 2075.9704 1919.0163 114.4062 -205824.8732 17611.6770 0.0000 0.0000 34350.3423 -149001.2872 299.9901 -183351.6295 -148903.2220 300.0826 -187.1665 -150.9371 558443.0716 5.6444 5.6871 PRESSURE: 4248800 -58.8047 -76.9936 -80.8886 -76.9945 -222.325 78.5448 -80.8885 78.5458 92.986 GPRESSURE: 4248800 8.17614 -29.6533 -70.2985 -50.2072 -217.187 8.26029 -96.6949 31.8412 123.728 PRESSAVG: 4248800 10.8979 -3.73239 -1.17417 -3.73242 -44.4049 -37.89 -1.17413 -37.89 4.76847 GPRESSAVG: 4248800 10.6298 -4.80429 -1.42186 -4.33831 -44.1376 -35.1305 -2.34078 -39.8677 4.93755 TIMING: 4248800 CPU: 12758.1, 0.00305124/step Wall: 12758.1, 0.00305124/step, 0.636691 hours remaining, 207.843750 MB of memory in use. ENERGY: 4248800 746.8913 2078.4189 1973.1540 122.4859 -206301.5244 17804.5778 0.0000 0.0000 34428.2673 -149147.7292 300.6706 -183575.9966 -149049.7228 299.5203 -62.7144 -28.4276 557028.2170 -9.5795 -9.5234 PRESSURE: 4249000 -121.656 -107.9 24.4305 -107.9 -18.9554 122.261 24.4303 122.261 -41.6618 GPRESSURE: 4249000 -101.137 -128.383 87.8731 -136.286 14.4582 78.2207 -30.0232 98.5307 12.0517 PRESSAVG: 4249000 24.5128 -24.9279 -32.9918 -24.9279 -6.77324 -64.2959 -32.9918 -64.2959 19.1907 GPRESSAVG: 4249000 24.8864 -24.012 -34.4614 -25.682 -7.0408 -65.7535 -30.7193 -64.8451 19.7873 TIMING: 4249000 CPU: 12758.7, 0.00302781/step Wall: 12758.7, 0.00302781/step, 0.631636 hours remaining, 207.843750 MB of memory in use. ENERGY: 4249000 768.6536 2059.0351 1938.9708 107.1921 -205988.0464 17650.6429 0.0000 0.0000 34186.8302 -149276.7216 298.5621 -183463.5519 -149179.8510 299.0813 -60.7576 -24.8756 555868.2100 12.3101 12.5443 PRESSURE: 4249200 -70.6678 147.36 -24.2454 147.36 -122.31 -2.97833 -24.2462 -2.97821 -92.1748 GPRESSURE: 4249200 -23.2517 134.299 -116.73 64.21 -67.7906 -61.5954 77.071 -32.58 -78.929 PRESSAVG: 4249200 1.21731 52.7052 -31.0984 52.7052 40.789 -2.59629 -31.0983 -2.59623 -39.4171 GPRESSAVG: 4249200 2.72878 54.0432 -29.9819 51.8381 41.006 -2.87114 -31.4424 -0.86344 -40.6279 TIMING: 4249200 CPU: 12759.3, 0.00302431/step Wall: 12759.3, 0.00302431/step, 0.630737 hours remaining, 207.875000 MB of memory in use. ENERGY: 4249200 743.1702 2111.7509 1947.0168 124.9166 -206165.8581 17854.4038 0.0000 0.0000 34096.5214 -149288.0786 297.7734 -183384.6000 -149191.6294 299.4808 -95.0509 -56.6571 557999.9900 0.8631 1.0356 PRESSURE: 4249400 249.997 -85.3253 113.514 -85.3241 -111.439 -115.639 113.514 -115.639 -99.5573 GPRESSURE: 4249400 207.816 -149.273 111.404 -93.9194 -12.4048 -83.4724 61.6814 -27.3748 -65.9843 PRESSAVG: 4249400 78.0846 13.5954 9.39774 13.5955 17.1868 -50.8839 9.39779 -50.8839 -93.7427 GPRESSAVG: 4249400 76.5123 12.458 8.37242 13.3582 17.095 -50.1438 9.71691 -52.0003 -92.8566 TIMING: 4249400 CPU: 12760, 0.00303029/step Wall: 12760, 0.00303029/step, 0.631815 hours remaining, 207.875000 MB of memory in use. ENERGY: 4249400 704.3373 2139.4015 1923.6173 110.8584 -206022.8917 17621.8587 0.0000 0.0000 34270.7822 -149252.0364 299.2953 -183522.8185 -149158.3220 298.8932 13.0002 43.1422 556209.1201 0.5095 0.2502 PRESSURE: 4249600 8.17632 95.7059 -77.7093 95.706 -205.614 -75.1911 -77.7098 -75.1905 -23.9995 GPRESSURE: 4249600 20.8128 0.0464403 -45.376 27.2418 -116.747 -54.3903 -44.5517 -23.09 -9.88902 PRESSAVG: 4249600 -21.5137 48.6367 -12.1749 48.6369 -50.2819 -5.51359 -12.1748 -5.51348 57.09 GPRESSAVG: 4249600 -21.7081 48.8624 -12.5392 49.6872 -49.0119 -4.1187 -13.3282 -7.16571 56.3437 TIMING: 4249600 CPU: 12760.6, 0.00301206/step Wall: 12760.6, 0.00301206/step, 0.627847 hours remaining, 207.875000 MB of memory in use. ENERGY: 4249600 740.3446 2069.5394 1921.1237 117.1393 -206048.9013 17722.8714 0.0000 0.0000 34188.4435 -149289.4394 298.5762 -183477.8829 -149194.6530 298.5384 -73.8125 -35.2745 557916.0304 -4.9019 -4.7921 PRESSURE: 4249800 -28.8229 79.2859 -91.2455 79.2873 23.3592 7.28505 -91.2459 7.28327 103.198 GPRESSURE: 4249800 31.5978 139.061 -49.91 31.0646 21.7762 8.59988 -109.457 -71.9818 142.959 PRESSAVG: 4249800 -28.5767 65.3051 -7.72807 65.3051 -2.37273 -10.3417 -7.7281 -10.3418 50.7871 GPRESSAVG: 4249800 -27.4832 64.0857 -4.67703 67.013 -3.55331 -9.88452 -8.9752 -9.91766 51.1302 TIMING: 4249800 CPU: 12761.2, 0.00302906/step Wall: 12761.2, 0.00302906/step, 0.631222 hours remaining, 207.875000 MB of memory in use. ENERGY: 4249800 705.1781 2115.3851 1932.9886 105.9397 -206161.0347 17695.1348 0.0000 0.0000 34292.3042 -149314.1043 299.4832 -183606.4085 -149220.9593 298.8401 32.5782 65.4443 556271.6951 6.6125 6.6979 PRESSURE: 4250000 107.233 144.63 -121.756 144.629 124.785 4.98644 -121.757 4.98502 546.226 GPRESSURE: 4250000 119.646 95.162 -110.498 155.917 205.008 9.31337 -178.826 33.6036 542.464 PRESSAVG: 4250000 -42.7613 67.8901 11.0585 67.89 15.5444 39.5019 11.0584 39.5019 -4.68797 GPRESSAVG: 4250000 -42.9866 68.0361 7.72068 66.0091 16.7568 38.1126 11.929 39.7481 -5.81988 TIMING: 4250000 CPU: 12761.8, 0.00303652/step Wall: 12761.8, 0.00303652/step, 0.632608 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: 4250000 747.2319 2072.7303 1928.8221 111.4821 -206390.8113 18101.7015 0.0000 0.0000 34080.8845 -149347.9587 297.6368 -183428.8432 -149251.0513 299.0588 259.4147 289.0392 555903.4312 -10.6350 -10.6832 PRESSURE: 4250200 -12.4981 -44.0239 -118.74 -44.0233 -156.13 53.2816 -118.741 53.2823 62.5431 GPRESSURE: 4250200 -18.7075 22.1694 -120.343 -132.577 -82.1625 53.1456 -87.5308 69.353 97.6274 PRESSAVG: 4250200 -2.85411 70.8082 -42.4063 70.8082 4.30401 63.2192 -42.4064 63.2192 15.943 GPRESSAVG: 4250200 -3.4779 71.5531 -42.2657 72.8724 3.47611 61.6431 -43.7612 64.7134 17.3159 TIMING: 4250200 CPU: 12762.4, 0.0030415/step Wall: 12762.4, 0.0030415/step, 0.633476 hours remaining, 207.875000 MB of memory in use. ENERGY: 4250200 758.9376 2112.8228 1971.5229 117.9998 -206246.8199 17594.3982 0.0000 0.0000 34360.1331 -149331.0056 300.0756 -183691.1386 -149238.4867 299.2902 -35.3617 -1.0809 555894.7115 5.7976 5.7714 PRESSURE: 4250400 385.744 -96.1409 101.905 -96.1416 139.943 -44.3745 101.904 -44.3755 130.735 GPRESSURE: 4250400 420.296 -83.0001 45.2969 -71.1963 155.045 -99.1036 83.6199 -71.6099 168.232 PRESSAVG: 4250400 -25.4861 8.76412 -71.983 8.76418 -23.8794 -29.3494 -71.9829 -29.3494 142.442 GPRESSAVG: 4250400 -24.4316 8.26183 -70.8794 8.34949 -23.9699 -28.6723 -71.3596 -31.3802 141.408 TIMING: 4250400 CPU: 12763, 0.00303698/step Wall: 12763, 0.00303698/step, 0.632367 hours remaining, 207.875000 MB of memory in use. ENERGY: 4250400 735.0834 2112.9642 1923.9486 117.7368 -206541.4037 17988.9647 0.0000 0.0000 34290.6962 -149372.0098 299.4692 -183662.7060 -149273.6216 299.5333 218.8071 247.8577 553872.7259 31.0253 31.0023 PRESSURE: 4250600 -86.1527 61.3411 -19.7527 61.3416 -189.347 -25.9757 -19.7532 -25.975 -1.75056 GPRESSURE: 4250600 -72.0473 -14.9757 -80.4704 75.1078 -107.869 -0.831822 45.1217 -83.5343 10.5305 PRESSAVG: 4250600 8.87116 52.3134 -25.3185 52.3133 -80.5112 15.0125 -25.3186 15.0124 46.6422 GPRESSAVG: 4250600 9.83845 50.8707 -24.95 54.0788 -81.5199 15.4371 -24.0377 15.1803 47.0975 TIMING: 4250600 CPU: 12763.6, 0.00304286/step Wall: 12763.6, 0.00304286/step, 0.633421 hours remaining, 207.875000 MB of memory in use. ENERGY: 4250600 749.4557 2128.6032 1941.3755 107.1071 -206344.8741 17775.0671 0.0000 0.0000 34355.6853 -149287.5802 300.0367 -183643.2655 -149189.7538 299.3981 -92.4166 -56.4618 556496.3505 -8.3326 -8.1947 PRESSURE: 4250800 35.5341 159.767 -58.3686 159.768 333.31 -115.395 -58.3679 -115.395 -258.618 GPRESSURE: 4250800 71.3902 181.713 -9.85743 168.147 334.285 -131.35 -73.7586 -165.185 -201.89 PRESSAVG: 4250800 3.10075 -8.54474 -9.57438 -8.54478 -23.4321 -1.64197 -9.57432 -1.64191 31.8239 GPRESSAVG: 4250800 2.54926 -6.23213 -8.53403 -10.7585 -23.1923 -1.42561 -11.1666 0.947859 31.6383 TIMING: 4250800 CPU: 12764.2, 0.00302809/step Wall: 12764.2, 0.00302809/step, 0.63018 hours remaining, 207.875000 MB of memory in use. ENERGY: 4250800 763.8233 2069.9051 1975.1209 107.6733 -206154.3872 17939.1737 0.0000 0.0000 34185.2075 -149113.4834 298.5479 -183298.6909 -149017.0453 300.3222 36.7421 67.9282 557021.2499 3.8309 3.6651 PRESSURE: 4251000 140.445 8.12666 83.5432 8.12699 -252.467 82.0511 83.5429 82.0525 295.55 GPRESSURE: 4251000 225.852 -18.6963 53.7702 19.0239 -218.178 52.8274 101.181 65.8851 279.231 PRESSAVG: 4251000 57.7904 25.5256 5.2452 25.5257 -58.8879 -3.47421 5.24515 -3.47428 13.0971 GPRESSAVG: 4251000 56.8499 23.2165 4.66757 26.2926 -59.7045 -2.80292 5.32213 -4.96596 14.1688 TIMING: 4251000 CPU: 12764.8, 0.00302308/step Wall: 12764.8, 0.00302308/step, 0.628969 hours remaining, 207.875000 MB of memory in use. ENERGY: 4251000 769.0374 2126.5811 1952.7954 101.8045 -206605.9482 18030.8741 0.0000 0.0000 34528.1017 -149096.7540 301.5425 -183624.8557 -149006.1481 299.9818 61.1763 95.6349 557302.4747 3.9999 3.7714 PRESSURE: 4251200 -237.225 -24.4263 -64.7192 -24.4259 145.232 27.8941 -64.719 27.8935 -17.6612 GPRESSURE: 4251200 -142.315 -15.2022 -56.2361 7.37152 191.078 50.5419 -16.1487 48.6112 -56.1105 PRESSAVG: 4251200 4.98186 -53.7505 -57.675 -53.7504 -54.8492 38.1758 -57.6749 38.1757 1.57238 GPRESSAVG: 4251200 4.61203 -53.7305 -58.0929 -55.8923 -53.7492 37.4705 -57.4625 37.8554 0.815764 TIMING: 4251200 CPU: 12765.4, 0.00304236/step Wall: 12765.4, 0.00304236/step, 0.632812 hours remaining, 207.875000 MB of memory in use. ENERGY: 4251200 766.7925 2128.6492 1971.2582 116.3990 -206494.0581 17834.1678 0.0000 0.0000 34540.7829 -149136.0086 301.6532 -183676.7914 -149038.8680 299.9587 -36.5516 -2.4490 558008.8252 -16.0983 -16.1071 PRESSURE: 4251400 180.214 -6.69567 -37.4849 -6.69583 133.496 182.611 -37.486 182.611 -8.29689 GPRESSURE: 4251400 191.951 41.2985 -19.4919 -44.6018 195.608 209.824 -40.4439 67.6273 32.7354 PRESSAVG: 4251400 48.263 -26.868 -18.6811 -26.868 -64.4666 23.5926 -18.6811 23.5924 -6.53068 GPRESSAVG: 4251400 48.1632 -24.2812 -17.3146 -26.262 -65.4381 22.4171 -18.6013 24.4461 -5.41111 TIMING: 4251400 CPU: 12766, 0.00304061/step Wall: 12766, 0.00304061/step, 0.632278 hours remaining, 207.875000 MB of memory in use. ENERGY: 4251400 712.4985 2119.5504 1927.6776 117.5861 -205728.4964 17732.2039 0.0000 0.0000 34102.3707 -149016.6090 297.8245 -183118.9797 -148921.2498 299.2185 101.8042 140.0980 557667.8233 -7.5781 -7.5620 PRESSURE: 4251600 55.5087 -146.016 23.9121 -146.016 76.478 152.035 23.9131 152.035 84.4148 GPRESSURE: 4251600 59.9187 -146.546 59.7186 -152.066 141.24 129.142 -79.2586 226.092 113.079 PRESSAVG: 4251600 -10.9832 9.03356 19.6163 9.0336 -64.5864 12.5755 19.6162 12.5754 41.5635 GPRESSAVG: 4251600 -10.8658 8.68013 18.773 8.1551 -64.3314 13.1723 20.2628 12.5647 40.6577 TIMING: 4251600 CPU: 12766.6, 0.00305276/step Wall: 12766.6, 0.00305276/step, 0.634636 hours remaining, 207.875000 MB of memory in use. ENERGY: 4251600 804.4353 2073.8429 1951.4353 115.2692 -205992.0172 17828.2759 0.0000 0.0000 34326.8301 -148891.9286 299.7847 -183218.7587 -148797.9087 299.6529 72.1338 104.7459 555828.9942 -11.3354 -11.5132 PRESSURE: 4251800 217.013 24.0696 13.9054 24.0698 -34.1026 -178.685 13.9052 -178.685 -75.4196 GPRESSURE: 4251800 270.318 -5.59846 -100.945 59.3798 -5.80361 -219.79 38.1323 -133.665 -51.2375 PRESSAVG: 4251800 -43.1511 12.5105 0.893464 12.5105 -22.5033 -2.61518 0.893436 -2.61516 58.1362 GPRESSAVG: 4251800 -43.0568 12.9588 -0.666044 14.364 -22.7519 -3.67316 1.17029 -1.36808 58.3558 TIMING: 4251800 CPU: 12767.2, 0.0030417/step Wall: 12767.2, 0.0030417/step, 0.632166 hours remaining, 207.875000 MB of memory in use. ENERGY: 4251800 745.9374 2078.5821 1965.7660 112.5615 -206039.6579 17685.9978 0.0000 0.0000 34354.4612 -149096.3519 300.0261 -183450.8131 -148998.5859 299.7352 35.8302 71.0922 556524.5701 -2.5061 -2.4843 PRESSURE: 4252000 66.9039 -144.002 -109.517 -144.002 12.7017 46.2055 -109.517 46.2059 -37.0295 GPRESSURE: 4252000 57.7579 -134.253 -78.9322 -183.284 45.5993 62.4365 -233.943 66.2433 21.6239 PRESSAVG: 4252000 -5.52709 19.2585 18.2211 19.2585 21.6888 22.2511 18.2212 22.2511 3.6617 GPRESSAVG: 4252000 -5.90074 19.263 18.9494 17.8726 21.5561 24.1675 18.882 21.6621 3.82591 TIMING: 4252000 CPU: 12767.8, 0.00304471/step Wall: 12767.8, 0.00304471/step, 0.632623 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: 4252000 750.2239 2084.2046 1961.2055 115.4952 -205999.8012 17749.0999 0.0000 0.0000 34400.4672 -148939.1049 300.4278 -183339.5721 -148848.0862 299.7707 14.1920 41.6603 558287.5896 6.6078 6.4937 PRESSURE: 4252200 168.042 -50.928 70.7515 -50.9264 195.568 101.729 70.7531 101.731 -96.5356 GPRESSURE: 4252200 243.574 -124.442 141.457 26.866 267.398 52.8357 111.028 81.1759 -142.689 PRESSAVG: 4252200 -13.4266 -19.5118 8.95314 -19.5119 79.4634 45.2625 8.95311 45.2625 -49.0434 GPRESSAVG: 4252200 -13.263 -18.5455 9.40376 -20.4857 80.4859 43.7367 8.09139 45.0119 -50.2966 TIMING: 4252200 CPU: 12768.5, 0.00304119/step Wall: 12768.5, 0.00304119/step, 0.631722 hours remaining, 207.875000 MB of memory in use. ENERGY: 4252200 758.7037 2073.6974 1932.3417 116.8640 -206087.3408 17940.3942 0.0000 0.0000 34252.3915 -149012.9483 299.1347 -183265.3397 -148917.6038 300.1930 89.0247 122.7613 558431.0479 5.6645 5.6421 LDB: ============= START OF LOAD BALANCING ============== 12771.9 LDB: ============== END OF LOAD BALANCING =============== 12771.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12771.9 LDB: ============= START OF LOAD BALANCING ============== 12772.2 LDB: Largest compute 4820 load 0.023291 is 19.7% of average load 0.118103 LDB: Average compute 0.001733 is 1.5% of average load 0.118103 LDB: TIME 12772.2 LOAD: AVG 0.118103 MAX 0.223403 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.121 MB LDB: TIME 12772.2 LOAD: AVG 0.118103 MAX 0.223403 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.121 MB LDB: TIME 12772.2 LOAD: AVG 0.118103 MAX 0.223403 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.121 MB LDB: ============== END OF LOAD BALANCING =============== 12772.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12772.2 PRESSURE: 4252400 -114.326 57.2666 38.9924 57.267 -263.894 -16.9272 38.9921 -16.927 298.914 GPRESSURE: 4252400 -98.5313 136.812 19.7134 51.9679 -215.461 -0.531028 27.46 7.07759 340.223 PRESSAVG: 4252400 -60.563 17.3303 20.3081 17.3304 2.79114 18.2883 20.308 18.2882 54.4518 GPRESSAVG: 4252400 -60.0296 15.955 21.1136 18.0805 2.82629 21.2193 19.1765 18.6931 54.1556 TIMING: 4252400 CPU: 12769.1, 0.00310255/step Wall: 12769.1, 0.00310255/step, 0.644297 hours remaining, 209.070312 MB of memory in use. ENERGY: 4252400 775.2073 2056.3616 1930.6404 114.3685 -206201.7912 17924.3813 0.0000 0.0000 34385.3580 -149015.4742 300.2959 -183400.8321 -148918.1534 299.9264 -26.4351 8.7435 558529.3640 -1.1067 -1.0159 PRESSURE: 4252600 -250.23 -21.2465 8.06452 -21.2479 274.358 3.82791 8.06366 3.8292 -68.6601 GPRESSURE: 4252600 -194.091 16.6006 59.9429 -18.6075 298.424 -43.9976 -5.96181 58.5476 -55.643 PRESSAVG: 4252600 -33.7884 3.08099 52.522 3.08101 41.329 -21.5178 52.522 -21.5178 -2.14503 GPRESSAVG: 4252600 -34.9613 3.06336 50.9395 3.94423 40.3908 -23.2139 53.061 -21.7379 -0.522044 TIMING: 4252600 CPU: 12769.7, 0.00305526/step Wall: 12769.7, 0.00305526/step, 0.634306 hours remaining, 209.070312 MB of memory in use. ENERGY: 4252600 722.1644 2085.0397 1961.6347 130.4161 -206130.0396 17738.1093 0.0000 0.0000 34391.7671 -149100.9082 300.3519 -183492.6753 -149002.4709 299.3252 -14.8442 16.2300 558245.8840 1.7985 1.6358 PRESSURE: 4252800 253.23 100.06 -84.784 100.06 -58.7367 52.937 -84.7836 52.9372 -14.187 GPRESSURE: 4252800 230.751 55.8285 -63.0948 96.3964 8.06946 -10.6987 -42.5398 44.193 34.8381 PRESSAVG: 4252800 5.13738 80.1569 22.3017 80.1569 -29.0369 1.10282 22.3017 1.10281 -2.31112 GPRESSAVG: 4252800 6.08684 78.7373 24.1098 79.9843 -30.0634 0.835043 21.6432 0.958753 -1.92401 TIMING: 4252800 CPU: 12770.3, 0.00305397/step Wall: 12770.3, 0.00305397/step, 0.633868 hours remaining, 209.070312 MB of memory in use. ENERGY: 4252800 737.0195 2096.4013 1953.3174 115.0924 -206216.1279 17815.1024 0.0000 0.0000 34101.4723 -149397.7226 297.8166 -183499.1949 -149302.4718 298.7271 60.1022 91.2194 556053.9865 -8.7369 -8.6335 PRESSURE: 4253000 158.936 44.9117 -125.275 44.912 -38.5585 -91.9475 -125.274 -91.9473 63.6594 GPRESSURE: 4253000 170.884 -0.588417 -96.1546 -4.20987 34.8298 -79.0701 -214.989 -37.2616 77.6311 PRESSAVG: 4253000 -37.8377 38.3326 22.949 38.3325 31.5452 -24.4314 22.949 -24.4315 5.90226 GPRESSAVG: 4253000 -37.5622 39.3957 20.9821 38.5392 32.6411 -24.0407 25.9496 -24.2524 5.05288 TIMING: 4253000 CPU: 12770.9, 0.00305912/step Wall: 12770.9, 0.00305912/step, 0.634767 hours remaining, 209.070312 MB of memory in use. ENERGY: 4253000 742.9931 2075.4494 1934.7870 112.8832 -206295.0499 17833.5116 0.0000 0.0000 34081.2258 -149514.1998 297.6398 -183595.4256 -149416.0634 298.2571 61.3456 94.4483 556222.9596 -0.1301 0.0439 PRESSURE: 4253200 199.495 54.9137 -186.445 54.9136 -74.9124 -71.7856 -186.448 -71.7847 -139.863 GPRESSURE: 4253200 246.151 109.609 -152.478 82.8395 -65.7001 -114.135 -255.409 -49.6752 -88.7374 PRESSAVG: 4253200 4.56547 24.9287 -17.2715 24.9286 -9.58292 -7.27453 -17.2714 -7.27452 22.7507 GPRESSAVG: 4253200 4.113 24.3598 -16.7523 26.2859 -8.95008 -5.30353 -19.1 -5.52145 21.907 TIMING: 4253200 CPU: 12771.5, 0.00305251/step Wall: 12771.5, 0.00305251/step, 0.633226 hours remaining, 209.070312 MB of memory in use. ENERGY: 4253200 729.5820 2095.2208 1940.1481 108.7380 -206227.4919 17766.7068 0.0000 0.0000 34326.9711 -149260.1251 299.7860 -183587.0962 -149165.0524 298.3763 -5.0932 30.5713 555598.8945 5.9111 5.6900 PRESSURE: 4253400 -388.52 94.4937 64.3863 94.4931 -45.947 -12.4469 64.3871 -12.4465 -230.948 GPRESSURE: 4253400 -335.015 78.7744 92.2749 117.368 -42.9593 -1.7201 132.528 -77.9196 -182.813 PRESSAVG: 4253400 -8.27723 3.46208 -28.284 3.46208 45.8467 1.56702 -28.2839 1.56696 -27.0017 GPRESSAVG: 4253400 -8.58552 3.31009 -29.3456 2.41183 44.7221 0.401901 -25.8284 0.440058 -25.9648 TIMING: 4253400 CPU: 12772.1, 0.00302351/step Wall: 12772.1, 0.00302351/step, 0.627043 hours remaining, 209.070312 MB of memory in use. ENERGY: 4253400 721.8821 2148.1126 1913.9711 117.1141 -206024.7499 17644.7949 0.0000 0.0000 34317.1020 -149161.7730 299.6998 -183478.8750 -149070.0831 298.6998 -221.8048 -186.9293 557504.1495 3.5226 3.3906 PRESSURE: 4253600 -4.60099 71.7332 92.1094 71.7314 -24.5105 -75.2987 92.1086 -75.2988 -157.895 GPRESSURE: 4253600 68.3737 83.3867 17.9893 38.3445 -29.3551 -67.4956 195.358 -108.571 -104.687 PRESSAVG: 4253600 30.2824 6.80021 6.71023 6.80018 7.50523 3.59448 6.71013 3.59441 -44.1989 GPRESSAVG: 4253600 29.6564 6.73307 10.2041 5.45605 7.85984 3.60633 4.17338 3.91518 -43.7307 TIMING: 4253600 CPU: 12772.7, 0.00305144/step Wall: 12772.7, 0.00305144/step, 0.632666 hours remaining, 209.070312 MB of memory in use. ENERGY: 4253600 724.8679 2114.7515 1954.9938 112.7655 -205651.1871 17566.3572 0.0000 0.0000 34240.7242 -148936.7270 299.0328 -183177.4512 -148839.9555 299.7682 -62.3356 -21.8893 557237.4237 -2.1371 -2.0715 PRESSURE: 4253800 169.936 -33.8725 183.757 -33.8728 184.534 -22.8717 183.756 -22.8705 -124.487 GPRESSURE: 4253800 240.658 -75.4156 237.554 -57.0144 185.905 23.9305 167.963 -87.718 -107.631 PRESSAVG: 4253800 31.5001 -43.6786 -20.3295 -43.6787 25.6341 -37.5214 -20.3296 -37.5213 -95.7361 GPRESSAVG: 4253800 32.2626 -43.2968 -22.6238 -42.4049 26.3208 -37.841 -20.1037 -37.4004 -96.9943 TIMING: 4253800 CPU: 12773.3, 0.00306047/step Wall: 12773.3, 0.00306047/step, 0.634367 hours remaining, 209.070312 MB of memory in use. ENERGY: 4253800 735.0518 2105.6595 1939.9762 118.5520 -205995.3404 17803.8633 0.0000 0.0000 34417.1633 -148875.0745 300.5736 -183292.2377 -148777.9654 300.0571 76.6610 106.3109 557561.4543 -12.8673 -12.8037 PRESSURE: 4254000 29.903 175.688 -169.512 175.688 50.1674 -13.8714 -169.511 -13.871 132.065 GPRESSURE: 4254000 28.6194 224.887 -118.488 201.367 58.5238 52.1473 -236.854 -9.61025 219.107 PRESSAVG: 4254000 -4.68498 -17.156 12.5092 -17.1561 14.5228 -31.0966 12.5092 -31.0965 -8.56869 GPRESSAVG: 4254000 -4.87583 -16.983 13.5025 -16.952 15.047 -30.9968 12.1651 -31.0461 -8.87737 TIMING: 4254000 CPU: 12774, 0.00303704/step Wall: 12774, 0.00303704/step, 0.629341 hours remaining, 209.070312 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: 4254000 738.7203 2139.1664 1950.5091 111.9260 -206210.2625 17937.9124 0.0000 0.0000 34474.6738 -148857.3545 301.0759 -183332.0282 -148758.7604 300.5427 70.7119 102.0834 556313.4545 0.4230 0.4313 PRESSURE: 4254200 -279.664 145.653 -36.709 145.653 -44.2318 109.416 -36.7085 109.416 -27.7771 GPRESSURE: 4254200 -279.771 171.555 -24.0334 64.1878 42.7381 32.273 -74.7725 164.734 -5.62511 PRESSAVG: 4254200 16.6665 -10.5782 8.43834 -10.5782 24.0489 10.2632 8.43835 10.263 -23.7953 GPRESSAVG: 4254200 16.3554 -11.7986 6.64123 -9.77375 23.6783 10.8284 8.08603 10.1199 -23.2257 TIMING: 4254200 CPU: 12774.6, 0.00303284/step Wall: 12774.6, 0.00303285/step, 0.628304 hours remaining, 209.070312 MB of memory in use. ENERGY: 4254200 752.0800 2118.8140 1936.5806 107.4998 -205688.7470 17548.0761 0.0000 0.0000 34412.0668 -148813.6297 300.5291 -183225.6965 -148720.4567 300.7648 -117.2242 -80.8861 556722.2536 5.6401 5.6027 PRESSURE: 4254400 198.643 -24.8548 -10.7604 -24.8553 -32.8718 -163.989 -10.762 -163.988 37.2335 GPRESSURE: 4254400 234.626 -71.6211 -47.6637 -8.98814 -14.8263 -157.493 -17.4535 -225.426 68.5531 PRESSAVG: 4254400 -15.2074 4.66633 13.6014 4.66637 50.6537 4.83311 13.6013 4.83311 -7.97626 GPRESSAVG: 4254400 -12.7695 6.92883 14.1357 3.51807 49.3655 2.70281 12.5282 6.0558 -8.88603 TIMING: 4254400 CPU: 12775.2, 0.0030461/step Wall: 12775.2, 0.0030461/step, 0.63088 hours remaining, 209.070312 MB of memory in use. ENERGY: 4254400 737.1427 2129.5414 1929.8613 118.6680 -205967.2991 17859.5122 0.0000 0.0000 34377.0885 -148815.4850 300.2237 -183192.5735 -148728.6918 300.4894 67.6681 96.1177 557424.9623 9.1567 9.2366 PRESSURE: 4254600 -25.8438 -42.9126 108.173 -42.9135 -66.3026 -44.4977 108.173 -44.4964 96.8975 GPRESSURE: 4254600 0.517549 7.38221 116.018 -45.3764 -8.34641 -57.7548 71.5243 -75.1868 88.723 PRESSAVG: 4254600 -1.03824 -39.6594 43.1247 -39.6594 -43.7179 -54.0175 43.1246 -54.0176 37.1803 GPRESSAVG: 4254600 -3.33714 -41.2815 43.4926 -39.9971 -42.6521 -53.3693 45.045 -53.7073 37.9848 TIMING: 4254600 CPU: 12775.8, 0.00303533/step Wall: 12775.8, 0.00303533/step, 0.628481 hours remaining, 209.070312 MB of memory in use. ENERGY: 4254600 716.4041 2092.0219 1915.9729 109.1708 -205798.2086 17558.7119 0.0000 0.0000 34465.4217 -148940.5053 300.9951 -183405.9270 -148842.3769 300.1813 1.5837 26.9647 556955.6737 -2.5253 -2.6681 PRESSURE: 4254800 11.8945 -39.6947 -100.162 -39.6946 -42.4427 78.8369 -100.161 78.8362 -299.415 GPRESSURE: 4254800 14.1823 -63.6806 -69.0304 -44.6443 -52.8828 123.586 -151.036 23.9645 -194.873 PRESSAVG: 4254800 -71.6102 -42.8628 -6.10874 -42.8629 48.4555 -16.3904 -6.10874 -16.3903 16.8633 GPRESSAVG: 4254800 -71.6475 -41.2731 -6.45003 -43.3466 47.8533 -14.8026 -6.06291 -17.414 16.7769 TIMING: 4254800 CPU: 12776.4, 0.00304625/step Wall: 12776.4, 0.00304625/step, 0.630574 hours remaining, 209.070312 MB of memory in use. ENERGY: 4254800 716.8392 2076.3190 1919.0180 107.9884 -205451.7001 17491.5631 0.0000 0.0000 34204.1089 -148935.8635 298.7130 -183139.9724 -148837.2025 299.5337 -109.9876 -77.8578 557986.1957 -2.0971 -2.3391 PRESSURE: 4255000 133.249 94.6028 16.7603 94.6022 196.097 20.5159 16.7604 20.5165 -36.1084 GPRESSURE: 4255000 169.594 101.109 -0.137953 29.4059 285.654 -33.7006 76.5879 13.8689 -53.1995 PRESSAVG: 4255000 11.8474 -33.1444 -7.86865 -33.1444 -81.0951 32.1896 -7.86876 32.1895 61.3845 GPRESSAVG: 4255000 12.1708 -32.9134 -8.72149 -31.0452 -80.0451 32.0133 -8.53796 31.8938 60.005 TIMING: 4255000 CPU: 12777, 0.00304955/step Wall: 12777, 0.00304955/step, 0.631088 hours remaining, 209.070312 MB of memory in use. ENERGY: 4255000 748.2334 2092.2768 1895.7672 129.4307 -205907.0643 17787.3576 0.0000 0.0000 34412.6303 -148841.3683 300.5341 -183253.9986 -148743.4894 299.9377 97.7459 134.0159 556531.2183 -2.6211 -2.6231 PRESSURE: 4255200 69.0526 -121.933 -31.7735 -121.933 35.5525 47.8998 -31.7737 47.8986 99.1536 GPRESSURE: 4255200 115.5 -155.039 -41.4424 -132.884 36.3429 75.0816 6.65161 34.6889 151.916 PRESSAVG: 4255200 -48.7804 23.7133 3.50143 23.7133 32.8323 15.9529 3.50148 15.9528 -33.8253 GPRESSAVG: 4255200 -48.0521 23.3218 5.20525 22.4183 32.6357 16.3866 2.78707 15.836 -34.0495 TIMING: 4255200 CPU: 12777.6, 0.00305537/step Wall: 12777.6, 0.00305537/step, 0.632122 hours remaining, 209.070312 MB of memory in use. ENERGY: 4255200 721.3487 2143.1081 1936.5546 97.0237 -205733.3555 17590.5553 0.0000 0.0000 34372.4288 -148872.3365 300.1830 -183244.7653 -148779.9147 300.7515 67.9196 101.2529 555853.7172 -16.5911 -16.4887 PRESSURE: 4255400 -156.48 71.6275 -44.0274 71.627 -345.946 8.20301 -44.0279 8.20406 -273.737 GPRESSURE: 4255400 -108.407 12.3677 -111.109 143.339 -300.007 -12.9412 38.2795 46.8422 -271.606 PRESSAVG: 4255400 33.7467 -16.8272 57.1791 -16.8272 -53.6524 -52.7153 57.1793 -52.7153 60.6007 GPRESSAVG: 4255400 33.0926 -15.93 59.1016 -16.5377 -53.6188 -51.4682 55.0658 -52.7195 61.7564 TIMING: 4255400 CPU: 12778.2, 0.00302061/step Wall: 12778.2, 0.00302061/step, 0.624762 hours remaining, 209.070312 MB of memory in use. ENERGY: 4255400 790.5922 2078.9486 1940.6422 100.2205 -205782.3421 17386.9196 0.0000 0.0000 34501.9237 -148983.0953 301.3139 -183485.0190 -148879.7569 300.8123 -258.7211 -226.6735 556897.7914 13.5650 13.7434 PRESSURE: 4255600 -53.9061 -22.7899 -68.3628 -22.7902 81.8115 113.814 -68.3625 113.815 -123.789 GPRESSURE: 4255600 -30.6096 -56.5179 -60.9215 36.8199 114.977 142.274 -23.5381 75.9803 -100.441 PRESSAVG: 4255600 22.5115 25.9212 -15.0469 25.9212 -10.2893 16.7226 -15.0469 16.7227 -39.5807 GPRESSAVG: 4255600 22.9363 24.8692 -18.0254 28.6881 -10.29 14.7418 -10.6747 17.8773 -39.836 TIMING: 4255600 CPU: 12778.8, 0.00307419/step Wall: 12778.8, 0.00307419/step, 0.635674 hours remaining, 209.070312 MB of memory in use. ENERGY: 4255600 743.3646 2107.1746 1967.2984 125.2587 -206157.1297 17744.5224 0.0000 0.0000 34534.6050 -148934.9060 301.5993 -183469.5110 -148834.4206 300.5623 -31.9610 -5.3577 556027.7419 -9.1195 -9.0633 PRESSURE: 4255800 64.6435 -116.48 108.954 -116.481 146.895 112.595 108.955 112.595 311.752 GPRESSURE: 4255800 144.602 -93.1187 44.4924 -103.695 131.372 73.3718 86.2018 97.1541 347.703 PRESSAVG: 4255800 75.3946 -11.7663 32.121 -11.7662 -33.0622 6.19965 32.121 6.19965 -49.8076 GPRESSAVG: 4255800 75.5279 -10.4198 31.8826 -16.3186 -33.174 5.78868 32.1895 6.18471 -49.2753 TIMING: 4255800 CPU: 12779.4, 0.00303135/step Wall: 12779.4, 0.00303135/step, 0.626648 hours remaining, 209.070312 MB of memory in use. ENERGY: 4255800 735.7468 2162.4045 1956.1022 111.0924 -206474.6794 18101.2339 0.0000 0.0000 34479.3340 -148928.7656 301.1166 -183408.0997 -148831.7390 301.0178 174.4301 207.8925 557697.9605 -2.4918 -2.3071 PRESSURE: 4256000 130.798 38.3616 -62.7175 38.3628 47.6524 15.7799 -62.7172 15.781 -9.24863 GPRESSURE: 4256000 124.355 106.425 0.533734 141.943 98.3478 -49.6551 -31.8884 -18.5418 47.5133 PRESSAVG: 4256000 82.442 29.6633 -17.4425 29.6633 -36.2768 -0.34392 -17.4426 -0.343852 -4.45494 GPRESSAVG: 4256000 83.2147 29.584 -15.5205 32.4564 -36.825 1.6412 -20.0577 -0.0586218 -5.00873 TIMING: 4256000 CPU: 12780, 0.00301907/step Wall: 12780, 0.00301907/step, 0.623942 hours remaining, 209.070312 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: 4256000 770.0964 2131.0317 1951.4763 108.2854 -205999.7335 17757.3154 0.0000 0.0000 34346.9146 -148934.6137 299.9601 -183281.5283 -148839.5608 300.0905 56.4004 90.0719 558147.3913 13.9034 13.7937 PRESSURE: 4256200 15.9603 93.1788 186.763 93.1791 -521.535 55.8221 186.762 55.8204 -199.271 GPRESSURE: 4256200 60.5999 73.4837 212.865 144.125 -412.03 51.3403 171.932 39.1749 -255.432 PRESSAVG: 4256200 -36.3278 -12.1215 6.12091 -12.1217 -14.452 46.632 6.12094 46.6321 -6.60383 GPRESSAVG: 4256200 -37.4726 -11.9429 5.10253 -11.8132 -14.6037 45.1465 7.01731 44.4961 -5.10347 TIMING: 4256200 CPU: 12780.6, 0.00303997/step Wall: 12780.6, 0.00303997/step, 0.628092 hours remaining, 209.070312 MB of memory in use. ENERGY: 4256200 725.5320 2102.2635 1924.3672 101.3980 -205467.2830 17424.6806 0.0000 0.0000 34315.1466 -148873.8952 299.6827 -183189.0418 -148779.9436 299.7190 -234.9484 -202.2871 558353.7194 -19.1279 -19.0599 LDB: ============= START OF LOAD BALANCING ============== 12784.1 LDB: ============== END OF LOAD BALANCING =============== 12784.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12784.1 LDB: ============= START OF LOAD BALANCING ============== 12784.4 LDB: Largest compute 4820 load 0.024171 is 20.5% of average load 0.118082 LDB: Average compute 0.001740 is 1.5% of average load 0.118082 LDB: TIME 12784.4 LOAD: AVG 0.118082 MAX 0.222087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.688 MB LDB: TIME 12784.4 LOAD: AVG 0.118082 MAX 0.222087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.75 MB LDB: TIME 12784.4 LOAD: AVG 0.118082 MAX 0.222087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.75 MB LDB: ============== END OF LOAD BALANCING =============== 12784.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12784.4 PRESSURE: 4256400 132.174 -35.1385 77.6247 -35.139 117.267 89.8438 77.625 89.8438 -182.132 GPRESSURE: 4256400 182.462 -48.3743 119.524 -34.2412 103.06 134.517 144.087 56.7779 -110.787 PRESSAVG: 4256400 32.5167 55.3352 37.4061 55.3351 -32.0529 -18.9099 37.406 -18.9098 -7.92481 GPRESSAVG: 4256400 33.1362 55.9183 39.0713 54.4672 -31.7821 -18.8041 39.0254 -18.8704 -8.88283 TIMING: 4256400 CPU: 12781.3, 0.00312877/step Wall: 12781.3, 0.00312877/step, 0.646265 hours remaining, 206.656250 MB of memory in use. ENERGY: 4256400 732.8379 2094.3974 1929.4071 99.0066 -206036.7169 17856.6848 0.0000 0.0000 34366.0918 -148958.2914 300.1276 -183324.3832 -148862.2687 299.7331 22.4363 58.2449 559242.2968 -2.4870 -2.5096 PRESSURE: 4256600 -31.439 -38.7659 110.039 -38.7654 149.059 -112.313 110.039 -112.313 182.759 GPRESSURE: 4256600 -35.6738 -52.5036 52.5328 -70.9595 197.297 -148.667 180.91 -142.369 243.78 PRESSAVG: 4256600 53.5794 -19.7662 63.4548 -19.7661 -30.9037 -33.7682 63.4548 -33.7682 -24.2624 GPRESSAVG: 4256600 52.7951 -21.9144 61.3423 -19.1441 -29.6917 -33.4903 61.372 -32.3475 -24.678 TIMING: 4256600 CPU: 12781.9, 0.00308148/step Wall: 12781.9, 0.00308148/step, 0.636326 hours remaining, 206.765625 MB of memory in use. ENERGY: 4256600 743.6476 2062.2265 1934.1600 116.5824 -206089.4812 17940.3573 0.0000 0.0000 34372.1156 -148920.3917 300.1802 -183292.5074 -148826.2388 299.5865 100.1265 135.1344 558696.6494 -0.5289 -0.5249 PRESSURE: 4256800 -188.791 -86.9637 2.97118 -86.9633 -54.6332 63.7361 2.97092 63.7354 -97.3937 GPRESSURE: 4256800 -111.729 -175.075 3.1875 7.65968 -60.8384 47.2675 -27.3541 120.982 -75.6955 PRESSAVG: 4256800 -8.93374 7.18212 -3.37941 7.18211 26.827 -14.7145 -3.37948 -14.7144 6.95899 GPRESSAVG: 4256800 -8.89491 8.99798 -3.58702 6.98953 27.3461 -13.4838 -1.48388 -16.5734 7.05239 TIMING: 4256800 CPU: 12782.5, 0.00306545/step Wall: 12782.5, 0.00306545/step, 0.632845 hours remaining, 206.765625 MB of memory in use. ENERGY: 4256800 761.7757 2095.2670 1926.7256 114.0679 -205774.0112 17555.1931 0.0000 0.0000 34445.2340 -148875.7478 300.8188 -183320.9818 -148780.4878 300.1556 -113.6060 -82.7543 558989.0894 8.2841 8.5012 PRESSURE: 4257000 -13.8337 -14.4414 -71.808 -14.4409 -185.215 197.814 -71.808 197.814 114.437 GPRESSURE: 4257000 -31.791 79.0755 -28.6257 -77.2661 -167.077 80.384 -152.882 159.101 200.22 PRESSAVG: 4257000 14.2564 23.2668 13.5019 23.2668 -1.36904 7.25944 13.5018 7.25948 11.6963 GPRESSAVG: 4257000 15.8587 25.2586 13.7835 22.8324 -2.34706 4.5597 11.0246 9.19442 11.1288 TIMING: 4257000 CPU: 12783.1, 0.00304312/step Wall: 12783.1, 0.00304312/step, 0.628065 hours remaining, 206.765625 MB of memory in use. ENERGY: 4257000 729.6470 2058.8352 1963.8146 113.9492 -205785.8648 17764.1551 0.0000 0.0000 34389.7567 -148765.7070 300.3343 -183155.4636 -148668.6431 300.2126 -28.2040 0.4506 558555.2845 8.1945 8.2135 PRESSURE: 4257200 -279.162 -70.8855 -71.4867 -70.8859 -296.651 -84.4916 -71.4871 -84.4919 50.6527 GPRESSURE: 4257200 -195.834 -73.929 -84.082 -48.0681 -304.914 -92.839 -138.024 11.7638 67.117 PRESSAVG: 4257200 -11.3761 -6.3349 -30.9587 -6.33478 -26.6414 21.135 -30.9588 21.1351 66.2419 GPRESSAVG: 4257200 -12.7157 -9.0413 -32.9291 -6.47845 -26.6258 21.1437 -28.8946 19.0446 67.9783 TIMING: 4257200 CPU: 12783.7, 0.00307413/step Wall: 12783.7, 0.00307413/step, 0.634296 hours remaining, 206.765625 MB of memory in use. ENERGY: 4257200 736.1140 2096.1569 1937.4051 125.5980 -205639.7177 17525.5172 0.0000 0.0000 34358.5318 -148860.3949 300.0616 -183218.9267 -148760.3205 300.3828 -175.0534 -144.5439 558484.9716 9.4081 9.5456 PRESSURE: 4257400 -122.416 72.8353 -95.0256 72.8359 -183.962 -12.7664 -95.0259 -12.7656 26.1812 GPRESSURE: 4257400 -93.4357 133.019 -30.3873 39.4779 -101.599 -43.3616 -101.676 42.6604 19.7185 PRESSAVG: 4257400 -26.6894 -8.68163 36.6695 -8.68166 8.66295 9.90927 36.6695 9.90927 30.5352 GPRESSAVG: 4257400 -26.0116 -7.95924 38.0018 -9.08917 8.07328 10.1041 34.1393 11.8584 30.8348 TIMING: 4257400 CPU: 12784.3, 0.00309728/step Wall: 12784.3, 0.00309728/step, 0.6389 hours remaining, 206.765625 MB of memory in use. ENERGY: 4257400 764.1615 2112.8538 1931.8456 120.8050 -205788.3470 17673.5540 0.0000 0.0000 34226.6417 -148958.4854 298.9098 -183185.1271 -148866.9526 299.8413 -93.3988 -58.4387 558968.2506 4.1696 4.2988 PRESSURE: 4257600 42.2908 -204.72 69.3861 -204.718 60.471 -147.038 69.3861 -147.038 -25.8386 GPRESSURE: 4257600 64.9274 -240.777 93.502 -206.269 75.3733 -175.532 -3.51347 -144.213 30.2859 PRESSAVG: 4257600 38.3471 -2.80351 50.0822 -2.80343 -10.5115 -34.3854 50.0822 -34.3854 5.4745 GPRESSAVG: 4257600 36.3261 -3.23122 50.5624 -0.816718 -9.43546 -33.5649 50.6306 -35.1363 6.32067 TIMING: 4257600 CPU: 12785, 0.00306078/step Wall: 12785, 0.00306078/step, 0.631201 hours remaining, 206.765625 MB of memory in use. ENERGY: 4257600 707.8660 2066.0380 1931.2152 114.5438 -205983.5220 17758.1645 0.0000 0.0000 34456.8253 -148948.8691 300.9200 -183405.6944 -148851.7787 299.8673 25.6411 56.8622 558118.7053 11.1034 11.0705 PRESSURE: 4257800 -108.924 -195.158 -52.4527 -195.157 327.706 -225.6 -52.4528 -225.601 199.325 GPRESSURE: 4257800 -88.9238 -101.675 38.5476 -150.414 373.139 -305.757 -21.9703 -176.953 235.342 PRESSAVG: 4257800 2.04717 -25.5493 48.9215 -25.5493 -43.4893 -37.9067 48.9216 -37.9069 54.4779 GPRESSAVG: 4257800 3.0793 -24.1768 48.3361 -28.3354 -43.8504 -38.9186 50.3685 -36.5352 53.6005 TIMING: 4257800 CPU: 12785.6, 0.00305142/step Wall: 12785.6, 0.00305142/step, 0.629101 hours remaining, 206.765625 MB of memory in use. ENERGY: 4257800 708.6709 2081.6915 1949.8030 100.6674 -206426.2289 18089.0251 0.0000 0.0000 34366.5631 -149129.8079 300.1317 -183496.3710 -149027.8650 299.8272 139.3688 173.1858 558478.1601 4.3453 4.2765 PRESSURE: 4258000 53.4384 42.0298 4.9833 42.0308 -232.022 -7.95748 4.98484 -7.95734 -216.103 GPRESSURE: 4258000 122.438 -1.25841 -56.3313 -25.1097 -284.042 -126.159 46.6984 -34.3785 -144.811 PRESSAVG: 4258000 -14.6294 6.48733 7.84148 6.48721 3.66738 -9.26243 7.84152 -9.26248 -21.3816 GPRESSAVG: 4258000 -13.9707 6.69784 7.91619 7.74095 4.09111 -9.66765 5.75981 -11.0921 -22.0677 TIMING: 4258000 CPU: 12786.2, 0.00304022/step Wall: 12786.2, 0.00304022/step, 0.626622 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: 4258000 772.1133 2107.9175 1924.2510 131.7549 -206007.8576 17551.2680 0.0000 0.0000 34179.7351 -149340.8178 298.5001 -183520.5529 -149241.0286 298.7344 -131.5625 -102.1384 558990.9137 -10.7812 -10.6491 PRESSURE: 4258200 -406.035 0.428411 -46.4035 0.429853 -112.256 46.863 -46.4025 46.8649 -44.2612 GPRESSURE: 4258200 -360.804 -65.8059 -15.8058 85.6103 -107.373 191.585 -48.0145 14.886 0.749859 PRESSAVG: 4258200 -4.22282 -53.3494 50.5422 -53.3494 -35.2911 15.8958 50.5421 15.8958 4.31269 GPRESSAVG: 4258200 -4.03899 -55.2552 50.2888 -52.1568 -35.7089 18.8418 52.4957 16.5027 4.60385 TIMING: 4258200 CPU: 12786.8, 0.00303139/step Wall: 12786.8, 0.00303139/step, 0.624636 hours remaining, 206.765625 MB of memory in use. ENERGY: 4258200 730.5495 2077.6065 1956.5532 117.2034 -205996.0714 17554.5290 0.0000 0.0000 34222.5652 -149337.0647 298.8742 -183559.6298 -149235.6177 297.9065 -187.5172 -155.8091 560199.4869 -11.7337 -11.7147 PRESSURE: 4258400 -56.7167 -132.088 -154.242 -132.088 -191.239 -119.748 -154.241 -119.749 -84.5598 GPRESSURE: 4258400 -57.6835 -211.328 -54.283 -115.944 -144.551 -121.76 -88.5797 -87.9672 -45.3599 PRESSAVG: 4258400 -19.8228 -88.8526 -44.0178 -88.8526 16.0725 2.81015 -44.0178 2.81019 60.1606 GPRESSAVG: 4258400 -20.1531 -88.0605 -44.1267 -89.4311 16.7103 3.23313 -44.5272 1.60666 60.5497 TIMING: 4258400 CPU: 12787.4, 0.00306587/step Wall: 12787.4, 0.00306587/step, 0.631569 hours remaining, 206.765625 MB of memory in use. ENERGY: 4258400 759.2282 2105.5585 1931.5662 111.4999 -205955.8109 17649.2386 0.0000 0.0000 34137.6706 -149261.0489 298.1328 -183398.7195 -149163.8471 298.9323 -110.8387 -82.5315 558600.9286 18.8035 19.0356 PRESSURE: 4258600 105.381 73.1533 329.069 73.1543 77.5202 -118.31 329.068 -118.308 -189.364 GPRESSURE: 4258600 128.338 89.1798 365.099 37.1088 110.632 -121.179 265.221 -129.69 -137.715 PRESSAVG: 4258600 33.9824 -65.9964 9.11027 -65.9965 -5.16784 28.3064 9.11038 28.3064 -10.5406 GPRESSAVG: 4258600 35.2219 -66.0318 9.42622 -67.4156 -6.36572 27.9061 8.07285 29.0232 -10.4314 TIMING: 4258600 CPU: 12788, 0.00304501/step Wall: 12788, 0.00304501/step, 0.627103 hours remaining, 206.765625 MB of memory in use. ENERGY: 4258600 778.7861 2027.1362 1938.9208 129.9643 -206326.0884 17908.7127 0.0000 0.0000 34252.1686 -149290.3997 299.1327 -183542.5683 -149188.9697 299.1516 -2.1541 33.7517 558210.5763 6.0913 6.1416 PRESSURE: 4258800 -236.934 -151.264 52.1942 -151.265 59.1936 44.6522 52.1947 44.6545 269.05 GPRESSURE: 4258800 -206.353 -56.1612 127.612 -174.081 105.431 68.3693 4.59646 -37.5276 290.068 PRESSAVG: 4258800 -25.4626 -27.9891 33.7794 -27.9892 1.01017 38.3429 33.7793 38.3429 29.3181 GPRESSAVG: 4258800 -26.7159 -27.2679 33.2665 -29.3066 1.45937 36.0885 32.3083 40.3226 29.8278 TIMING: 4258800 CPU: 12788.6, 0.00306827/step Wall: 12788.6, 0.00306827/step, 0.631723 hours remaining, 206.765625 MB of memory in use. ENERGY: 4258800 734.4447 2068.9533 1952.2972 110.6838 -206203.9511 17838.2218 0.0000 0.0000 34218.6551 -149280.6951 298.8400 -183499.3502 -149185.9091 299.6595 30.4366 63.0488 558377.1425 1.6219 1.5238 PRESSURE: 4259000 -105.413 59.1938 -62.2092 59.1922 -228.295 -127.006 -62.2086 -127.007 -183.829 GPRESSURE: 4259000 -117.424 94.6162 -82.5539 0.714332 -181.28 -67.4218 -24.3963 -77.2891 -113.633 PRESSAVG: 4259000 -12.8169 -0.677614 -41.8247 -0.677627 -64.4724 -8.99895 -41.8247 -8.99888 67.2027 GPRESSAVG: 4259000 -12.7127 -1.89765 -40.8004 1.52971 -63.7275 -8.10683 -41.6834 -10.2414 66.3745 TIMING: 4259000 CPU: 12789.2, 0.00304784/step Wall: 12789.2, 0.00304784/step, 0.627346 hours remaining, 206.765625 MB of memory in use. ENERGY: 4259000 760.2088 2067.5366 1917.7562 104.1078 -205921.5442 17615.1977 0.0000 0.0000 34298.7947 -149157.9425 299.5399 -183456.7372 -149051.6731 298.8496 -172.5124 -137.4456 558251.9711 -3.3622 -3.3552 PRESSURE: 4259200 -157.919 192.575 25.4654 192.575 -6.44484 -46.5441 25.466 -46.5445 -257.909 GPRESSURE: 4259200 -79.1273 271.332 -42.8643 134.395 -23.7054 -73.1902 19.3489 -57.5076 -214.796 PRESSAVG: 4259200 0.0605662 5.01955 -11.6478 5.01946 -27.3004 -19.6807 -11.6479 -19.6806 12.67 GPRESSAVG: 4259200 0.909833 4.88884 -10.7897 5.70855 -27.0732 -19.635 -11.8599 -19.0438 11.8485 TIMING: 4259200 CPU: 12789.8, 0.00305383/step Wall: 12789.8, 0.00305383/step, 0.62841 hours remaining, 206.765625 MB of memory in use. ENERGY: 4259200 702.7151 2093.4811 1939.9376 103.9715 -206081.8911 17693.3520 0.0000 0.0000 34246.7320 -149301.7018 299.0852 -183548.4338 -149202.3574 298.9708 -140.7575 -105.8763 557701.4874 -4.8566 -4.7716 PRESSURE: 4259400 136.842 26.8121 -2.71671 26.8121 35.0295 -60.8285 -2.71639 -60.8281 -23.6207 GPRESSURE: 4259400 146.666 -20.5138 -23.958 -9.66634 24.0382 -86.5481 18.2197 -89.7011 84.8343 PRESSAVG: 4259400 27.4901 80.1438 40.0125 80.1438 -49.8965 -59.2705 40.0123 -59.2706 -18.4882 GPRESSAVG: 4259400 27.7692 80.4245 41.2038 79.1769 -51.0766 -59.1856 39.7765 -58.055 -17.5943 TIMING: 4259400 CPU: 12790.4, 0.00306095/step Wall: 12790.4, 0.00306095/step, 0.629705 hours remaining, 206.765625 MB of memory in use. ENERGY: 4259400 715.2131 2114.9136 1958.7307 99.3769 -206555.9451 17907.4950 0.0000 0.0000 34527.1848 -149233.0311 301.5345 -183760.2159 -149133.5581 298.9690 49.4169 85.1795 557716.6309 -13.6315 -13.6339 PRESSURE: 4259600 133.038 14.6503 6.46441 14.6504 -185.933 81.7369 6.46448 81.7365 -116.094 GPRESSURE: 4259600 101.752 -0.0228841 -33.1282 58.7155 -92.907 49.5646 74.6519 37.5787 -66.2819 PRESSAVG: 4259600 34.8803 58.9458 -10.5424 58.9458 -13.2597 -1.87318 -10.5424 -1.87325 26.625 GPRESSAVG: 4259600 33.7004 59.6891 -12.6262 57.898 -12.4829 -2.28818 -10.4742 -3.21116 27.2972 TIMING: 4259600 CPU: 12791.1, 0.00302572/step Wall: 12791.1, 0.00302572/step, 0.622289 hours remaining, 206.765625 MB of memory in use. ENERGY: 4259600 724.4821 2098.7841 1946.9551 114.4146 -206015.6592 17659.5392 0.0000 0.0000 34143.5244 -149327.9598 298.1839 -183471.4842 -149222.0275 299.4791 -56.3297 -19.1456 557935.1002 16.0819 16.1716 PRESSURE: 4259800 -116.623 59.3406 3.05048 59.3407 -129.931 -108.812 3.0509 -108.814 -65.1575 GPRESSURE: 4259800 -79.4604 29.119 36.7831 153.355 -65.2408 -76.1277 -28.6543 -74.6414 -62.8247 PRESSAVG: 4259800 25.4432 26.4275 20.3771 26.4276 -10.7941 -39.8558 20.3771 -39.8558 7.62957 GPRESSAVG: 4259800 25.1324 26.1851 20.5151 26.3831 -9.29696 -38.0647 21.3855 -39.8589 6.24495 TIMING: 4259800 CPU: 12791.7, 0.0030438/step Wall: 12791.7, 0.0030438/step, 0.62584 hours remaining, 206.765625 MB of memory in use. ENERGY: 4259800 727.1068 2076.3689 1918.6029 124.7652 -206084.2848 17689.5225 0.0000 0.0000 34121.3863 -149426.5322 297.9906 -183547.9185 -149333.3852 298.7946 -103.9037 -69.1753 556802.7108 7.4262 7.3601 PRESSURE: 4260000 -356.565 33.6168 -108.446 33.6176 -62.3396 27.0354 -108.447 27.0364 40.4937 GPRESSURE: 4260000 -323.064 64.2952 -110.837 63.752 -22.4917 -8.60511 -122.196 28.4082 63.7092 PRESSAVG: 4260000 -72.3394 53.8985 45.9718 53.8984 -1.01268 0.778638 45.9718 0.778585 54.8633 GPRESSAVG: 4260000 -71.8744 55.2856 45.04 53.6934 -2.09835 1.56323 46.3142 -0.979639 55.1655 TIMING: 4260000 CPU: 12792.3, 0.00305125/step Wall: 12792.3, 0.00305125/step, 0.627201 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: 4260000 749.9700 2086.6910 1928.7120 113.5270 -206040.6382 17735.2130 0.0000 0.0000 34174.9367 -149251.5886 298.4582 -183426.5253 -149149.3658 299.1978 -126.1368 -93.9487 558534.4934 -6.1629 -6.2691 PRESSURE: 4260200 88.8032 8.44795 19.4825 8.44674 128.317 -110.028 19.4827 -110.03 275.331 GPRESSURE: 4260200 103.038 126.15 -43.82 -133.275 215.43 -108.596 42.3587 -118.345 259.079 PRESSAVG: 4260200 -89.4874 47.3212 -32.3745 47.3212 91.5869 0.468881 -32.3745 0.468901 3.31857 GPRESSAVG: 4260200 -89.8146 46.2518 -34.6415 46.6536 92.1516 -0.515098 -31.8391 3.35155 2.58747 TIMING: 4260200 CPU: 12792.9, 0.00305646/step Wall: 12792.9, 0.00305646/step, 0.628102 hours remaining, 206.765625 MB of memory in use. ENERGY: 4260200 740.4369 2123.6331 1949.9274 124.7070 -206236.7862 17984.4283 0.0000 0.0000 34212.7363 -149100.9173 298.7883 -183313.6536 -149003.9737 299.8168 164.1505 192.5157 557439.9560 1.8060 1.6415 LDB: ============= START OF LOAD BALANCING ============== 12796.3 LDB: ============== END OF LOAD BALANCING =============== 12796.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12796.3 LDB: ============= START OF LOAD BALANCING ============== 12796.6 LDB: Largest compute 4820 load 0.024239 is 20.5% of average load 0.118157 LDB: Average compute 0.001738 is 1.5% of average load 0.118157 LDB: TIME 12796.6 LOAD: AVG 0.118157 MAX 0.2202 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 12796.6 LOAD: AVG 0.118157 MAX 0.2202 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.844 MB LDB: TIME 12796.6 LOAD: AVG 0.118157 MAX 0.2202 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.844 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12796.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12796.6 PRESSURE: 4260400 -73.2987 108.942 -28.1248 108.942 -33.3067 -76.1286 -28.1243 -76.129 -102.882 GPRESSURE: 4260400 19.6807 91.6433 -21.5332 159.88 -5.74661 -42.7162 27.053 -93.5525 -129.378 PRESSAVG: 4260400 -31.2276 45.543 -8.06533 45.543 -7.1018 2.55274 -8.06527 2.55265 44.5916 GPRESSAVG: 4260400 -31.653 46.1823 -4.97944 47.673 -7.50289 1.12273 -9.68687 2.48076 45.0778 TIMING: 4260400 CPU: 12793.5, 0.00309588/step Wall: 12793.5, 0.00309588/step, 0.636031 hours remaining, 207.277344 MB of memory in use. ENERGY: 4260400 757.5113 2050.3987 1937.6545 109.5462 -206154.5758 17794.8962 0.0000 0.0000 34165.8272 -149338.7417 298.3787 -183504.5689 -149236.4547 298.6731 -69.8290 -38.4814 557894.8805 2.0874 1.9740 PRESSURE: 4260600 140.582 15.9324 -230.528 15.9317 -91.6026 58.0466 -230.528 58.0466 -213.109 GPRESSURE: 4260600 166.978 61.1 -225.725 45.2599 -123.456 3.03451 -255.384 133.538 -105.719 PRESSAVG: 4260600 -26.6011 37.3574 -52.5213 37.3574 3.8181 78.2691 -52.5213 78.269 -6.62994 GPRESSAVG: 4260600 -26.5022 36.0809 -53.795 38.2584 3.84211 79.11 -53.0684 78.6994 -6.48422 TIMING: 4260600 CPU: 12794.1, 0.00303283/step Wall: 12794.1, 0.00303283/step, 0.622909 hours remaining, 207.277344 MB of memory in use. ENERGY: 4260600 742.5907 2047.0949 1919.0463 106.0467 -205954.3813 17706.5404 0.0000 0.0000 34136.4475 -149296.6147 298.1221 -183433.0622 -149201.2345 298.6576 -54.7098 -20.7322 557825.0459 -9.8043 -9.7148 PRESSURE: 4260800 190.52 -192.419 -83.5717 -192.419 79.0299 47.3513 -83.5724 47.3513 160.821 GPRESSURE: 4260800 168.194 -199.9 -120.459 -186.738 170.065 -28.7987 -8.51695 52.0131 200.605 PRESSAVG: 4260800 -68.7579 82.1071 -29.3412 82.1071 55.0457 13.5338 -29.3412 13.5339 5.22672 GPRESSAVG: 4260800 -68.2016 81.5256 -27.7531 79.5586 53.7251 13.5165 -27.74 11.582 6.17926 TIMING: 4260800 CPU: 12794.7, 0.00300896/step Wall: 12794.7, 0.00300896/step, 0.617841 hours remaining, 207.277344 MB of memory in use. ENERGY: 4260800 745.2922 2113.0003 1961.8621 115.9976 -206556.7176 18123.1244 0.0000 0.0000 34304.9833 -149192.4578 299.5940 -183497.4410 -149093.4712 298.9066 143.4569 179.6211 556917.3200 -2.8285 -2.7657 PRESSURE: 4261000 -273.202 218.825 -122.761 218.824 153.969 -61.7462 -122.764 -61.7457 -207.017 GPRESSURE: 4261000 -194.611 211.238 -82.2144 190.166 197.32 -157.804 -58.5238 -0.322059 -222.825 PRESSAVG: 4261000 -68.7002 10.7089 -54.2309 10.7088 61.3336 -52.1457 -54.2309 -52.1458 56.4905 GPRESSAVG: 4261000 -68.6301 11.9414 -54.605 11.6523 62.6514 -52.1218 -55.5596 -52.7065 55.6714 TIMING: 4261000 CPU: 12795.3, 0.00303394/step Wall: 12795.3, 0.00303394/step, 0.622801 hours remaining, 207.277344 MB of memory in use. ENERGY: 4261000 760.3031 2047.7046 1936.9446 99.5674 -205722.0178 17567.0365 0.0000 0.0000 34318.6298 -148991.8318 299.7131 -183310.4616 -148899.6585 299.9263 -108.7499 -73.3724 556696.1526 16.3746 16.5642 PRESSURE: 4261200 81.7265 23.3253 66.8473 23.3247 157.106 150.128 66.8477 150.128 153.775 GPRESSURE: 4261200 122.066 -101.815 198.346 87.5474 186.083 158.553 -26.0917 175.44 187.925 PRESSAVG: 4261200 -35.8038 22.8617 -4.82912 22.8617 40.2941 16.6958 -4.82913 16.6957 -26.2132 GPRESSAVG: 4261200 -35.7504 20.1595 -6.76585 24.1411 40.3429 15.8372 -3.83098 19.6088 -26.5063 TIMING: 4261200 CPU: 12795.9, 0.00301371/step Wall: 12795.9, 0.00301371/step, 0.618479 hours remaining, 207.277344 MB of memory in use. ENERGY: 4261200 735.3921 2111.2559 1940.0281 107.0154 -206237.1528 18071.1335 0.0000 0.0000 34299.8732 -148972.4545 299.5493 -183272.3277 -148877.3630 299.8611 130.8692 165.3582 556778.5505 -7.2410 -7.3046 PRESSURE: 4261400 166.231 -165.045 -38.4472 -165.045 119.918 -271.059 -38.4458 -271.06 129.43 GPRESSURE: 4261400 112.177 -134.611 53.419 -126.122 197.462 -339.85 -123.554 -178.428 205.414 PRESSAVG: 4261400 57.6256 -12.9358 52.4053 -12.9358 -56.0743 -27.2474 52.4053 -27.2473 34.4232 GPRESSAVG: 4261400 57.0609 -11.7286 54.9924 -13.5641 -56.0154 -25.4766 49.3971 -31.2708 34.8604 TIMING: 4261400 CPU: 12796.5, 0.00303579/step Wall: 12796.5, 0.00303579/step, 0.622842 hours remaining, 207.277344 MB of memory in use. ENERGY: 4261400 720.3829 2141.3247 1945.9272 115.5638 -206242.1639 18102.5255 0.0000 0.0000 34331.3454 -148885.0944 299.8242 -183216.4398 -148784.8971 299.6042 138.5265 171.6842 557379.7436 11.9915 11.9687 PRESSURE: 4261600 97.1732 -154.855 102.358 -154.855 -61.1141 153.28 102.358 153.279 -87.9397 GPRESSURE: 4261600 161.169 -49.9804 57.5009 -196.649 -42.8238 128.367 119.614 170.092 -69.438 PRESSAVG: 4261600 35.9935 50.2144 6.30503 50.2144 -76.1713 -37.4064 6.30505 -37.4064 30.7022 GPRESSAVG: 4261600 35.8275 51.4519 6.06948 48.7437 -76.4473 -39.3037 8.14505 -33.6338 31.054 TIMING: 4261600 CPU: 12797.1, 0.00306894/step Wall: 12797.1, 0.00306894/step, 0.629474 hours remaining, 207.277344 MB of memory in use. ENERGY: 4261600 748.2235 2131.3791 1920.5055 105.5790 -206122.5072 17807.8153 0.0000 0.0000 34562.1484 -148846.8565 301.8398 -183409.0049 -148740.3148 299.8319 -17.2935 16.3023 557717.3283 -3.1585 -3.1886 PRESSURE: 4261800 -35.4406 -38.4913 30.8296 -38.4911 -94.047 159.016 30.8289 159.015 26.0385 GPRESSURE: 4261800 29.25 -3.66919 -60.2087 -91.1536 -106.305 107.396 -11.7421 113.428 76.8236 PRESSAVG: 4261800 -0.285831 29.8858 16.0212 29.8858 25.3344 -13.2726 16.0213 -13.2727 -39.5707 GPRESSAVG: 4261800 -0.379127 29.7751 14.9503 29.8025 26.4541 -11.3413 14.3761 -15.0066 -39.841 TIMING: 4261800 CPU: 12797.8, 0.00306643/step Wall: 12797.8, 0.00306643/step, 0.628788 hours remaining, 207.277344 MB of memory in use. ENERGY: 4261800 759.7046 2120.8523 1949.6189 114.5890 -205942.2144 17786.6973 0.0000 0.0000 34352.0651 -148858.6871 300.0051 -183210.7522 -148758.4315 300.6505 -34.4830 -0.0770 557364.1895 -4.8407 -4.5887 PRESSURE: 4262000 -254.933 9.85894 134.134 9.85796 -280.164 37.8618 134.135 37.8624 -314.228 GPRESSURE: 4262000 -253.149 26.6629 57.7661 45.6233 -264.47 29.6838 183.929 35.3475 -230.596 PRESSAVG: 4262000 -2.21038 56.749 38.6505 56.749 -52.2984 11.3743 38.6505 11.3744 14.6781 GPRESSAVG: 4262000 -1.05436 57.4649 40.3404 57.7914 -52.4913 8.89596 40.5189 11.6019 13.4507 TIMING: 4262000 CPU: 12798.4, 0.00305525/step Wall: 12798.4, 0.00305525/step, 0.626326 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: 4262000 782.1759 2156.5178 1945.9290 142.1847 -205679.0664 17512.4397 0.0000 0.0000 34322.2957 -148817.5237 299.7451 -183139.8194 -148726.7845 300.2571 -283.1086 -249.4051 558892.0855 -13.2769 -13.3650 PRESSURE: 4262200 80.4677 27.3212 76.2049 27.322 -139.956 -67.2708 76.2043 -67.2693 3.95525 GPRESSURE: 4262200 91.2689 -2.28875 65.7449 44.5911 -33.514 -142.316 57.1302 -30.4771 -6.56059 PRESSAVG: 4262200 51.9281 32.4848 33.0688 32.4847 2.01532 -11.7675 33.0688 -11.7675 -89.6071 GPRESSAVG: 4262200 51.2796 31.4839 31.6192 33.3597 1.57693 -12.263 33.372 -11.9983 -87.9324 TIMING: 4262200 CPU: 12799, 0.00299089/step Wall: 12799, 0.00299089/step, 0.612965 hours remaining, 207.277344 MB of memory in use. ENERGY: 4262200 807.9467 2111.4737 1895.5432 113.4354 -205963.0264 17807.6718 0.0000 0.0000 34307.3507 -148919.6049 299.6146 -183226.9556 -148832.3762 300.2714 -18.5110 17.0648 557060.8498 -11.8879 -11.6920 PRESSURE: 4262400 -206.102 -112.547 -36.2001 -112.548 -150.634 51.2797 -36.1996 51.2789 -97.2217 GPRESSURE: 4262400 -161.273 -69.9325 -62.1841 -171.374 -137.604 33.2308 -8.64403 4.6249 -45.1486 PRESSAVG: 4262400 6.12012 14.8461 7.34502 14.8461 2.16243 36.7933 7.34491 36.7933 -11.052 GPRESSAVG: 4262400 7.68076 15.2401 8.68519 14.7463 2.19061 38.8475 7.013 36.4966 -12.1473 TIMING: 4262400 CPU: 12799.6, 0.0030624/step Wall: 12799.6, 0.0030624/step, 0.627452 hours remaining, 207.277344 MB of memory in use. ENERGY: 4262400 755.0564 2045.8032 1950.4810 108.2998 -205996.7287 17692.8897 0.0000 0.0000 34386.0947 -149058.1039 300.3023 -183444.1987 -148964.3350 300.3657 -151.3193 -114.6752 558337.6515 -0.9231 -0.7587 PRESSURE: 4262600 -48.6315 -31.1312 -148.18 -31.1314 -204.652 -55.9445 -148.18 -55.945 -110.77 GPRESSURE: 4262600 -63.2708 14.5151 -112.097 4.52065 -128.972 -101.139 -170.203 -30.1367 -64.4308 PRESSAVG: 4262600 -4.15444 34.2067 24.5741 34.2066 18.3594 79.5605 24.5742 79.5605 -22.4448 GPRESSAVG: 4262600 -5.47096 34.2336 25.292 33.7317 18.8692 80.2313 23.5185 80.5512 -21.8275 TIMING: 4262600 CPU: 12800.2, 0.00304893/step Wall: 12800.2, 0.00304893/step, 0.624522 hours remaining, 207.277344 MB of memory in use. ENERGY: 4262600 809.2219 2069.1941 1909.9358 116.0815 -206072.6723 17709.8215 0.0000 0.0000 34285.2253 -149173.1922 299.4214 -183458.4175 -149079.1656 299.5242 -121.3511 -85.5580 557679.2686 -2.7466 -2.8097 PRESSURE: 4262800 186.952 186.569 -135.838 186.57 41.6112 -121.188 -135.839 -121.187 45.0927 GPRESSURE: 4262800 190.004 166.318 -178.356 224.659 184.648 -76.2227 -108.794 -168.846 5.57135 PRESSAVG: 4262800 20.2319 60.7823 -14.5484 60.7823 32.7342 -7.83568 -14.5484 -7.83569 -26.4735 GPRESSAVG: 4262800 19.9189 57.9501 -14.8254 61.9818 33.0104 -9.8101 -13.3112 -8.575 -26.4446 TIMING: 4262800 CPU: 12800.8, 0.00302399/step Wall: 12800.8, 0.00302399/step, 0.619246 hours remaining, 207.277344 MB of memory in use. ENERGY: 4262800 736.1262 2100.7453 1952.9078 118.0902 -206311.4243 18003.5847 0.0000 0.0000 34129.0365 -149270.9337 298.0574 -183399.9702 -149173.2136 299.1177 91.2185 126.7411 557257.5791 8.8309 8.8282 PRESSURE: 4263000 58.4731 -7.18857 -41.3388 -7.18794 -51.4174 114.253 -41.3383 114.252 -55.7178 GPRESSURE: 4263000 94.1248 -19.0801 9.72002 3.33584 -29.3164 102.647 -57.1876 126.319 -13.1039 PRESSAVG: 4263000 -4.245 6.87336 -17.0339 6.87338 70.4223 -22.347 -17.0338 -22.3469 -55.4545 GPRESSAVG: 4263000 -3.56855 9.26628 -18.3021 7.59458 70.3137 -21.2653 -16.9004 -23.9668 -55.2142 TIMING: 4263000 CPU: 12801.4, 0.00303778/step Wall: 12801.4, 0.00303778/step, 0.621901 hours remaining, 207.277344 MB of memory in use. ENERGY: 4263000 712.9498 2117.6523 1950.1486 110.8046 -206034.0814 17555.9590 0.0000 0.0000 34119.8788 -149466.6882 297.9774 -183586.5670 -149367.5412 299.0339 -16.2207 17.2349 555804.1636 3.5743 3.8436 PRESSURE: 4263200 -194.226 -41.7313 -8.51608 -41.7306 -56.8428 -7.42129 -8.51598 -7.41936 3.60733 GPRESSURE: 4263200 -130.869 -58.0642 -3.26843 19.9417 -22.1398 37.6193 10.598 58.0106 0.236174 PRESSAVG: 4263200 -48.7231 -45.9212 7.75979 -45.9212 10.6498 17.3706 7.75993 17.3705 55.021 GPRESSAVG: 4263200 -47.5413 -45.3518 8.08849 -48.3685 11.0905 18.7937 5.35995 19.3491 54.6892 TIMING: 4263200 CPU: 12802, 0.00304128/step Wall: 12802, 0.00304128/step, 0.622448 hours remaining, 207.277344 MB of memory in use. ENERGY: 4263200 757.0221 2093.0423 1943.9195 103.5340 -206122.5091 17612.2552 0.0000 0.0000 34240.9829 -149371.7531 299.0350 -183612.7359 -149269.0729 298.8443 -82.4872 -50.9242 556420.9245 5.6492 6.0795 PRESSURE: 4263400 35.4792 -44.2265 -211.955 -44.2267 246.876 -183.36 -211.955 -183.359 -208.282 GPRESSURE: 4263400 48.9549 -43.8554 -278.036 11.2674 221.68 -190.465 -178.266 -282.568 -99.9397 PRESSAVG: 4263400 12.9424 -48.6318 -11.4412 -48.6319 49.1342 11.9238 -11.4412 11.9238 -27.0261 GPRESSAVG: 4263400 11.3437 -49.6472 -13.2534 -48.4498 49.041 11.4133 -8.455 11.3131 -25.7043 TIMING: 4263400 CPU: 12802.6, 0.0030417/step Wall: 12802.6, 0.0030417/step, 0.622365 hours remaining, 207.277344 MB of memory in use. ENERGY: 4263400 756.8031 2209.4744 1961.3230 122.8930 -206605.4381 17887.7253 0.0000 0.0000 34242.5531 -149424.6662 299.0487 -183667.2194 -149330.9777 299.2138 24.6910 56.8983 555525.6634 11.6835 11.5602 PRESSURE: 4263600 -173.084 -183.094 23.5029 -183.093 32.5383 -19.1859 23.5043 -19.1868 100.006 GPRESSURE: 4263600 -176.497 -179.232 -48.2317 -193.494 80.2132 -89.9986 26.6247 75.2145 163.64 PRESSAVG: 4263600 6.23854 22.0992 28.961 22.0993 -17.1391 -19.0985 28.961 -19.0985 10.0667 GPRESSAVG: 4263600 6.24501 22.068 30.2934 22.7797 -16.8427 -19.2199 28.5575 -18.4745 9.54269 TIMING: 4263600 CPU: 12803.2, 0.00305053/step Wall: 12803.2, 0.00305053/step, 0.624003 hours remaining, 207.277344 MB of memory in use. ENERGY: 4263600 762.5141 2110.1750 1980.9708 120.2488 -206719.1727 17842.5380 0.0000 0.0000 34417.8252 -149484.9008 300.5794 -183902.7260 -149385.7369 299.1485 -13.5130 22.4519 555713.7365 -0.2780 -0.3517 PRESSURE: 4263800 -129.488 -135.328 -109.353 -135.327 157.697 60.0425 -109.353 60.0409 -361.558 GPRESSURE: 4263800 4.21636 -157.262 -89.2425 -52.7624 155.907 36.7275 -92.9446 83.8004 -396.316 PRESSAVG: 4263800 -54.2345 -9.87546 -9.47203 -9.87552 63.5321 -6.67089 -9.47208 -6.67088 -23.0954 GPRESSAVG: 4263800 -54.3288 -9.3157 -8.6609 -10.3455 62.417 -7.56187 -11.3135 -7.24988 -22.7463 TIMING: 4263800 CPU: 12803.8, 0.0030543/step Wall: 12803.8, 0.0030543/step, 0.624605 hours remaining, 207.277344 MB of memory in use. ENERGY: 4263800 787.0790 2114.0995 1952.6075 112.3001 -206285.8122 17792.8475 0.0000 0.0000 34113.9216 -149412.9571 297.9254 -183526.8787 -149318.6722 298.5921 -111.1164 -78.7308 557152.5938 -4.5993 -4.8860 PRESSURE: 4264000 121.47 -25.2786 -42.1299 -25.2785 -253.573 109.544 -42.1325 109.546 -416.841 GPRESSURE: 4264000 102.746 -95.2596 -78.4479 24.1264 -236.919 60.7806 -51.3841 142.395 -324.907 PRESSAVG: 4264000 51.4714 -21.7574 -66.8903 -21.7575 19.2791 5.50076 -66.8903 5.50086 -56.8923 GPRESSAVG: 4264000 52.1414 -24.0442 -67.6659 -21.0002 19.5347 4.07955 -66.628 6.57086 -57.7837 TIMING: 4264000 CPU: 12804.4, 0.00305121/step Wall: 12804.4, 0.00305121/step, 0.623802 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: 4264000 776.3849 2139.0686 1923.3104 108.7291 -206379.5549 17539.8730 0.0000 0.0000 34365.5384 -149526.6505 300.1228 -183892.1889 -149420.3416 298.9513 -182.9813 -153.0268 555947.5935 4.6194 4.6308 PRESSURE: 4264200 81.9282 30.2502 -141.927 30.2498 60.6803 -28.2262 -141.927 -28.226 -173.029 GPRESSURE: 4264200 100.355 -4.16196 -101.818 -29.5218 136.924 -98.2171 -149.987 82.6244 -171.86 PRESSAVG: 4264200 -1.92152 -18.6887 -35.4958 -18.6888 43.0589 2.54451 -35.4958 2.54464 0.259537 GPRESSAVG: 4264200 -2.43718 -15.6777 -35.3165 -22.4919 43.3552 3.94555 -34.4614 1.77138 0.237725 TIMING: 4264200 CPU: 12805.1, 0.00308885/step Wall: 12805.1, 0.00308885/step, 0.631326 hours remaining, 207.277344 MB of memory in use. ENERGY: 4264200 767.6354 2174.8547 1975.3208 119.4699 -206447.7711 17956.1005 0.0000 0.0000 34340.1810 -149114.2088 299.9013 -183454.3898 -149013.3003 299.2963 -10.1403 21.8063 556473.9055 13.7990 13.7186 LDB: ============= START OF LOAD BALANCING ============== 12808.5 LDB: ============== END OF LOAD BALANCING =============== 12808.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12808.5 LDB: ============= START OF LOAD BALANCING ============== 12808.8 LDB: Largest compute 4820 load 0.022956 is 19.4% of average load 0.118088 LDB: Average compute 0.001742 is 1.5% of average load 0.118088 LDB: TIME 12808.8 LOAD: AVG 0.118088 MAX 0.22248 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.07 MB LDB: TIME 12808.8 LOAD: AVG 0.118088 MAX 0.22248 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.07 MB LDB: TIME 12808.8 LOAD: AVG 0.118088 MAX 0.22248 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.07 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12808.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12808.8 PRESSURE: 4264400 -162.347 -67.7085 46.9707 -67.7089 25.2544 124.085 46.9702 124.084 -145.12 GPRESSURE: 4264400 -100.357 -38.3356 79.2078 -95.081 -0.742273 162.211 91.3156 116.325 -79.5963 PRESSAVG: 4264400 25.2922 -17.9926 36.0904 -17.9926 -77.6322 -1.99595 36.0903 -1.996 13.2385 GPRESSAVG: 4264400 24.6013 -19.1119 38.2257 -12.3995 -77.9069 -1.89105 35.6675 -2.68685 13.899 TIMING: 4264400 CPU: 12805.7, 0.00312707/step Wall: 12805.7, 0.00312707/step, 0.638965 hours remaining, 208.359375 MB of memory in use. ENERGY: 4264400 719.5768 2093.7529 1921.6624 127.5672 -205963.6508 17647.5894 0.0000 0.0000 34216.1490 -149237.3531 298.8181 -183453.5021 -149140.9905 299.7329 -94.0706 -60.2318 557784.4570 -13.0338 -13.1355 PRESSURE: 4264600 -154.734 52.5194 -26.8998 52.5194 40.0108 95.0884 -26.8983 95.0875 172.725 GPRESSURE: 4264600 -59.2874 26.9345 -15.2127 71.2744 75.2606 190.784 -18.6965 84.3265 129.134 PRESSAVG: 4264600 12.2583 30.7753 28.7838 30.7754 8.34083 42.9298 28.7839 42.9298 -11.773 GPRESSAVG: 4264600 13.1574 30.932 25.9601 29.3794 7.75499 41.5458 31.4027 44.6329 -12.3552 TIMING: 4264600 CPU: 12806.3, 0.00308351/step Wall: 12806.3, 0.00308351/step, 0.629892 hours remaining, 208.359375 MB of memory in use. ENERGY: 4264600 760.1926 2128.0628 1916.5759 106.9926 -206121.8091 17740.0635 0.0000 0.0000 34320.8481 -149149.0735 299.7325 -183469.9217 -149053.9722 299.8186 19.3339 48.3690 556734.4455 2.9421 2.8524 PRESSURE: 4264800 -181.908 -30.4839 -102.044 -30.4844 -193.483 147.028 -102.045 147.028 -177.346 GPRESSURE: 4264800 -159.365 -17.2639 -18.8381 -27.8568 -186.989 153.834 -89.3013 97.8504 -114.894 PRESSAVG: 4264800 -50.1887 -17.1832 27.438 -17.1831 13.0439 -6.18735 27.438 -6.18734 16.316 GPRESSAVG: 4264800 -49.7497 -16.9664 27.3302 -17.4659 13.6507 -4.74875 26.0895 -6.28167 15.4909 TIMING: 4264800 CPU: 12806.9, 0.00307859/step Wall: 12806.9, 0.00307859/step, 0.628717 hours remaining, 208.359375 MB of memory in use. ENERGY: 4264800 750.6682 2152.7936 1915.0467 112.2585 -206053.3987 17662.7578 0.0000 0.0000 34173.5211 -149286.3528 298.4459 -183459.8739 -149188.4358 299.4158 -184.2457 -153.7493 558537.5102 -6.9429 -6.8694 PRESSURE: 4265000 -272.345 16.0879 18.4341 16.0877 111.401 20.4241 18.4344 20.4226 -117.81 GPRESSURE: 4265000 -258.306 19.5405 60.8325 44.4253 152.46 34.1598 0.217109 7.43389 -75.0925 PRESSAVG: 4265000 23.8925 -34.1517 -21.9819 -34.1517 -74.3467 -11.9925 -21.9818 -11.9924 28.5043 GPRESSAVG: 4265000 23.3226 -35.0593 -20.0964 -35.0206 -75.4963 -12.217 -23.1904 -13.4748 29.8393 TIMING: 4265000 CPU: 12807.5, 0.00306007/step Wall: 12807.5, 0.00306007/step, 0.624764 hours remaining, 208.359375 MB of memory in use. ENERGY: 4265000 722.9665 2177.4302 1951.0214 117.4467 -206128.7672 17727.5259 0.0000 0.0000 34062.8589 -149369.5175 297.4794 -183432.3764 -149274.0624 298.6499 -92.9181 -60.3129 559319.0103 -7.3166 -7.4448 PRESSURE: 4265200 -252.69 -171.464 67.0591 -171.462 19.094 -35.6097 67.0584 -35.609 -224.525 GPRESSURE: 4265200 -228.814 -253.271 58.5607 -124.336 122.41 -112.951 120.073 -66.3563 -244.944 PRESSAVG: 4265200 -16.1669 28.6696 49.2752 28.6697 7.1996 22.5403 49.2752 22.5403 23.2077 GPRESSAVG: 4265200 -16.5934 28.7613 48.3543 28.025 7.92313 25.431 49.9646 22.642 23.2452 TIMING: 4265200 CPU: 12808.1, 0.00304876/step Wall: 12808.1, 0.00304876/step, 0.622287 hours remaining, 208.359375 MB of memory in use. ENERGY: 4265200 779.8993 2085.1386 1939.8798 116.7210 -206474.4465 17768.4445 0.0000 0.0000 34390.0649 -149394.2985 300.3370 -183784.3634 -149294.4537 298.7024 -152.7068 -117.1160 558682.4726 4.7468 4.8583 PRESSURE: 4265400 -172.352 -55.2251 28.8376 -55.2241 -25.9723 56.0939 28.8378 56.0942 -15.9775 GPRESSURE: 4265400 -154.724 -150.89 101.334 -95.1627 30.6262 92.0942 21.9099 40.8979 11.1017 PRESSAVG: 4265400 -105.273 35.9668 -13.7483 35.9667 66.118 24.6165 -13.7483 24.6166 16.994 GPRESSAVG: 4265400 -104.13 36.1564 -14.3526 36.5846 65.1825 22.8171 -11.0104 25.6919 16.7566 TIMING: 4265400 CPU: 12808.8, 0.00305328/step Wall: 12808.8, 0.00305328/step, 0.623039 hours remaining, 208.359375 MB of memory in use. ENERGY: 4265400 770.1400 2146.8620 1922.2433 112.7972 -206794.6463 18034.8681 0.0000 0.0000 34284.8014 -149522.9344 299.4177 -183807.7358 -149432.8307 298.3164 -71.4340 -37.6653 557452.1175 -7.3870 -7.3969 PRESSURE: 4265600 -275.923 152.175 43.8888 152.173 -202.696 8.4374 43.8908 8.43842 -219.941 GPRESSURE: 4265600 -284.235 84.5568 74.8841 210.076 -178.207 44.4853 -12.1421 -42.9209 -138.06 PRESSAVG: 4265600 -47.7896 8.67933 45.8623 8.6793 5.87475 105.057 45.8624 105.056 33.4224 GPRESSAVG: 4265600 -47.6673 7.53272 48.165 8.19185 6.42714 105.374 41.7678 104.986 33.3046 TIMING: 4265600 CPU: 12809.4, 0.0030633/step Wall: 12809.4, 0.0030633/step, 0.624914 hours remaining, 208.359375 MB of memory in use. ENERGY: 4265600 777.5686 2127.7427 1954.0619 109.0559 -205988.3141 17497.7955 0.0000 0.0000 33976.2470 -149545.8425 296.7230 -183522.0895 -149447.5821 298.1493 -232.8532 -200.1674 558061.2588 -2.8308 -2.6452 PRESSURE: 4265800 358.126 87.3308 -51.0398 87.3305 189.088 46.0762 -51.0405 46.0754 444.966 GPRESSURE: 4265800 404.636 155.963 -25.8177 71.6287 231.284 -28.7363 -9.64511 -45.9172 445.826 PRESSAVG: 4265800 29.6131 28.9346 34.1913 28.9346 -19.6069 -21.5667 34.1914 -21.5666 15.9662 GPRESSAVG: 4265800 28.4167 29.9772 31.0752 29.9524 -19.9907 -21.4588 37.1454 -22.4927 17.5908 TIMING: 4265800 CPU: 12810, 0.00307213/step Wall: 12810, 0.00307213/step, 0.626544 hours remaining, 208.359375 MB of memory in use. ENERGY: 4265800 732.9722 2178.3241 1952.7508 122.8374 -207048.3835 18376.3722 0.0000 0.0000 34041.9251 -149643.2016 297.2966 -183685.1267 -149542.8805 297.6820 330.7266 360.5820 556269.9378 8.6575 8.6722 PRESSURE: 4266000 -44.078 -39.8686 1.84326 -39.8675 -64.91 -72.8053 1.84417 -72.8063 -168.91 GPRESSURE: 4266000 -19.7741 -73.2514 -94.4501 -78.0305 -47.4598 -103.551 50.2061 -17.3314 -116.4 PRESSAVG: 4266000 66.4699 -1.75832 0.28604 -1.75838 -45.3528 13.8387 0.286013 13.8386 -54.9976 GPRESSAVG: 4266000 66.6497 -0.60713 0.709666 -4.06936 -44.4755 13.6963 -0.924712 14.0334 -55.6953 TIMING: 4266000 CPU: 12810.6, 0.00304829/step Wall: 12810.6, 0.00304829/step, 0.621513 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: 4266000 728.9583 2063.8522 1941.7265 98.2734 -206003.6579 17507.5845 0.0000 0.0000 34149.1196 -149514.1435 298.2328 -183663.2631 -149416.3505 298.1026 -92.6328 -61.2112 556723.5784 -11.2935 -11.1737 PRESSURE: 4266200 -201.34 -16.4965 -83.9865 -16.497 -158.076 -13.2167 -83.9858 -13.2159 -197.111 GPRESSURE: 4266200 -163.68 2.8487 -55.7176 -15.6835 -181.179 -86.1308 -78.9475 22.5213 -109.154 PRESSAVG: 4266200 -17.365 1.25514 -7.64002 1.25509 3.32994 23.4088 -7.63998 23.4088 18.6873 GPRESSAVG: 4266200 -16.355 2.01182 -5.47868 0.659332 3.25975 23.7819 -9.07439 24.5038 18.3461 TIMING: 4266200 CPU: 12811.2, 0.00303553/step Wall: 12811.2, 0.00303553/step, 0.618741 hours remaining, 208.359375 MB of memory in use. ENERGY: 4266200 767.4574 2122.4408 1933.4367 114.6762 -206366.9759 17681.1454 0.0000 0.0000 34247.9261 -149499.8933 299.0957 -183747.8194 -149403.9024 298.2353 -185.5091 -151.3379 557693.0757 1.5507 1.7503 PRESSURE: 4266400 -128.727 17.6662 -244.019 17.6662 -112.345 -68.0783 -244.02 -68.0775 88.5078 GPRESSURE: 4266400 -58.1055 -7.36191 -165.381 43.9194 -82.4744 -93.0374 -277.584 -4.91812 93.0885 PRESSAVG: 4266400 -23.3903 23.7359 30.8549 23.7358 -3.52614 4.42624 30.8549 4.4263 17.8578 GPRESSAVG: 4266400 -23.4506 21.9852 30.769 23.752 -3.18115 2.77268 30.7449 5.26383 17.7798 TIMING: 4266400 CPU: 12811.8, 0.00304661/step Wall: 12811.8, 0.00304661/step, 0.620831 hours remaining, 208.359375 MB of memory in use. ENERGY: 4266400 764.9079 2104.6033 1925.0185 108.2536 -206208.2992 17731.2405 0.0000 0.0000 34165.7308 -149408.5446 298.3778 -183574.2754 -149310.0848 298.3682 -50.8550 -15.8305 557158.5577 -3.0195 -2.9507 PRESSURE: 4266600 -322.084 148.576 171.761 148.577 44.5119 160.531 171.761 160.53 124.989 GPRESSURE: 4266600 -305.046 118.774 217.662 194.104 92.1366 171.001 167.771 138.381 135.472 PRESSAVG: 4266600 -67.0668 18.5448 33.4988 18.5447 58.6745 -1.1386 33.4989 -1.13874 4.41455 GPRESSAVG: 4266600 -67.1597 18.6233 31.5665 21.4782 58.7075 -1.7288 33.6771 -0.210205 5.17132 TIMING: 4266600 CPU: 12812.4, 0.00304405/step Wall: 12812.4, 0.00304405/step, 0.620141 hours remaining, 208.359375 MB of memory in use. ENERGY: 4266600 729.6321 2136.2462 1959.7728 120.4451 -206168.9378 17693.2244 0.0000 0.0000 33999.8310 -149529.7860 296.9290 -183529.6170 -149429.7319 298.5127 -50.8610 -25.8124 557222.4429 -1.3259 -1.0936 PRESSURE: 4266800 -185.133 -169.71 -111.454 -169.71 -51.3366 -121.264 -111.454 -121.264 -244.306 GPRESSURE: 4266800 -170.497 -226.288 -168.214 -123.82 15.8128 -62.9421 -136.346 -167.255 -225.304 PRESSAVG: 4266800 -42.7293 1.85926 42.4285 1.85923 41.4103 68.6075 42.4285 68.6076 -12.8653 GPRESSAVG: 4266800 -42.1571 0.82192 43.4148 2.80814 41.6694 69.4511 41.6703 68.3573 -14.0183 TIMING: 4266800 CPU: 12813, 0.00303444/step Wall: 12813, 0.00303444/step, 0.618014 hours remaining, 208.359375 MB of memory in use. ENERGY: 4266800 779.8140 2114.0895 1941.9602 114.1533 -205931.3465 17459.3053 0.0000 0.0000 34018.1144 -149503.9099 297.0887 -183522.0243 -149405.9976 297.9156 -160.2584 -126.6626 556016.1335 -4.7281 -4.8353 PRESSURE: 4267000 -178.959 31.3551 149.416 31.3561 -108.562 83.5715 149.417 83.5715 -177.64 GPRESSURE: 4267000 -189.461 124.805 146.475 68.6787 -52.1272 104.447 128.129 -9.84925 -138.217 PRESSAVG: 4267000 -75.4678 -18.902 24.5577 -18.902 73.0869 26.6818 24.5576 26.6819 -15.5979 GPRESSAVG: 4267000 -76.7836 -16.4703 24.2733 -20.6855 73.4799 27.0001 24.7615 25.3708 -14.9996 TIMING: 4267000 CPU: 12813.6, 0.00301779/step Wall: 12813.6, 0.00301779/step, 0.614455 hours remaining, 208.359375 MB of memory in use. ENERGY: 4267000 776.3858 2091.7332 1946.5165 118.9637 -206295.4881 17690.9226 0.0000 0.0000 34221.2456 -149449.7208 298.8626 -183670.9663 -149352.9572 298.3608 -155.0536 -126.6018 557566.6200 -5.9929 -6.1011 PRESSURE: 4267200 -153.369 63.2489 173.882 63.2498 -264.527 65.8434 173.883 65.8434 13.5554 GPRESSURE: 4267200 -138.855 -50.6694 106.419 189.062 -174.806 16.67 191.706 38.0961 3.66518 PRESSAVG: 4267200 -29.1153 1.50801 22.8508 1.50796 2.00856 -7.28514 22.8508 -7.28518 48.9247 GPRESSAVG: 4267200 -28.2933 -1.95382 22.3079 4.04973 0.60531 -7.12948 23.1168 -7.7572 50.3676 TIMING: 4267200 CPU: 12814.2, 0.00302484/step Wall: 12814.2, 0.00302484/step, 0.615724 hours remaining, 208.359375 MB of memory in use. ENERGY: 4267200 767.7956 2102.1204 1943.4601 126.1130 -206546.3880 17852.1253 0.0000 0.0000 34258.9585 -149495.8151 299.1920 -183754.7736 -149401.5227 298.8591 -134.7805 -103.3319 558719.4717 7.2727 7.5599 PRESSURE: 4267400 -81.0639 -72.9354 -17.5612 -72.9356 132.555 28.6332 -17.5618 28.6339 84.6042 GPRESSURE: 4267400 6.43937 -111.04 0.190441 36.3889 112.561 -54.7522 30.8045 86.4109 118.056 PRESSAVG: 4267400 -31.5716 24.6217 48.0697 24.6216 11.0844 44.9869 48.0697 44.9869 -7.46527 GPRESSAVG: 4267400 -32.738 24.1808 48.6925 22.5309 12.888 43.7799 49.1769 48.5389 -8.17142 TIMING: 4267400 CPU: 12814.8, 0.00302398/step Wall: 12814.8, 0.00302398/step, 0.61538 hours remaining, 208.359375 MB of memory in use. ENERGY: 4267400 739.3281 2081.5625 1985.4860 123.6989 -206696.7171 17982.8290 0.0000 0.0000 34408.6368 -149375.1758 300.4992 -183783.8126 -149285.1896 299.1589 45.3652 79.0187 557136.3394 -9.3175 -9.3405 PRESSURE: 4267600 -24.8295 68.5732 36.7328 68.5742 -183.218 30.0976 36.7327 30.0987 32.3334 GPRESSURE: 4267600 -5.33065 134.765 -22.2186 5.56046 -154.627 28.1749 22.9053 11.2881 80.8939 PRESSAVG: 4267600 0.370208 -0.474889 2.23197 -0.474841 -3.25476 -46.3023 2.23201 -46.3023 29.7818 GPRESSAVG: 4267600 1.64054 2.85988 3.31988 -2.56409 -4.09252 -46.4979 0.986118 -48.0922 29.9299 TIMING: 4267600 CPU: 12815.4, 0.00303804/step Wall: 12815.4, 0.00303804/step, 0.618071 hours remaining, 208.359375 MB of memory in use. ENERGY: 4267600 764.9990 2043.9668 1966.5658 105.2862 -206332.8465 17822.1686 0.0000 0.0000 34282.7340 -149347.1260 299.3996 -183629.8600 -149250.2561 299.0523 -58.5715 -26.3545 556762.3269 8.9657 9.1593 PRESSURE: 4267800 -181.488 14.6783 -16.159 14.6782 -288.385 105.219 -16.159 105.219 -167.403 GPRESSURE: 4267800 -136.402 31.0197 21.7345 56.0611 -264.061 93.7982 15.6428 115.895 -148.979 PRESSAVG: 4267800 19.9282 -17.8888 -10.7741 -17.8889 -94.9156 -49.9786 -10.7742 -49.9785 79 GPRESSAVG: 4267800 20.373 -17.7647 -14.1322 -17.23 -95.8227 -49.0702 -8.19083 -50.537 78.9787 TIMING: 4267800 CPU: 12816, 0.00302474/step Wall: 12816, 0.00302474/step, 0.615198 hours remaining, 208.562500 MB of memory in use. ENERGY: 4267800 796.2318 2081.2865 1965.3709 119.0909 -206371.1859 17601.6306 0.0000 0.0000 34415.3943 -149392.1809 300.5582 -183807.5752 -149294.8422 298.7232 -212.4255 -183.1474 557361.0195 1.3375 1.1764 PRESSURE: 4268000 45.1319 -34.294 45.6179 -34.296 38.9288 -133.282 45.6184 -133.28 -149.113 GPRESSURE: 4268000 93.4722 37.0967 86.3566 -91.0505 63.5589 -157.446 -1.02541 -78.5712 -113.303 PRESSAVG: 4268000 11.1112 -13.1913 -12.3482 -13.1912 -9.70566 -0.813125 -12.3481 -0.813199 -35.0812 GPRESSAVG: 4268000 11.0668 -15.6507 -11.0645 -10.427 -8.93268 -0.896491 -13.8264 -0.46417 -35.3076 TIMING: 4268000 CPU: 12816.7, 0.00301391/step Wall: 12816.7, 0.00301391/step, 0.612829 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: 4268000 727.0353 2089.9311 1935.6975 118.6986 -206441.1033 17847.1844 0.0000 0.0000 34322.9541 -149399.6023 299.7509 -183722.5564 -149304.2233 298.9685 -21.6841 14.5762 557382.3512 -11.2252 -11.0578 PRESSURE: 4268200 339.77 -92.5893 177.716 -92.5888 218.338 -88.2149 177.719 -88.2142 -167.546 GPRESSURE: 4268200 320.39 -69.0475 104.503 -152.337 275.942 -49.0462 211.189 -8.24294 -98.9984 PRESSAVG: 4268200 59.9857 -17.6874 6.66188 -17.6874 18.6226 -16.7561 6.66196 -16.7562 -45.4523 GPRESSAVG: 4268200 59.0855 -15.1454 5.03778 -20.5585 19.5567 -17.315 6.6524 -16.2879 -45.5611 TIMING: 4268200 CPU: 12817.3, 0.003021/step Wall: 12817.3, 0.003021/step, 0.614101 hours remaining, 208.562500 MB of memory in use. ENERGY: 4268200 717.8257 2104.1996 1926.7121 110.1927 -206280.7815 17891.9135 0.0000 0.0000 34409.6830 -149120.2548 300.5083 -183529.9378 -149025.1217 300.0535 130.1870 165.7780 556275.1299 11.0520 11.0271 LDB: ============= START OF LOAD BALANCING ============== 12820.7 LDB: ============== END OF LOAD BALANCING =============== 12820.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12820.7 LDB: ============= START OF LOAD BALANCING ============== 12821 LDB: Largest compute 4820 load 0.022670 is 19.2% of average load 0.118182 LDB: Average compute 0.001734 is 1.5% of average load 0.118182 LDB: TIME 12821 LOAD: AVG 0.118182 MAX 0.223636 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.129 MB LDB: TIME 12821 LOAD: AVG 0.118182 MAX 0.223636 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: TIME 12821 LOAD: AVG 0.118182 MAX 0.223636 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12821 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12821 PRESSURE: 4268400 -60.706 -58.2792 133.395 -58.2797 255.698 -60.8879 133.396 -60.8881 3.81543 GPRESSURE: 4268400 4.42945 -82.1176 135.726 -9.90362 264.399 -72.4462 83.7734 -126.862 18.8901 PRESSAVG: 4268400 -17.948 17.6901 -4.39072 17.6902 59.042 44.1565 -4.39072 44.1565 -30.2974 GPRESSAVG: 4268400 -17.8557 17.9316 -2.32912 16.8837 58.2383 44.3818 -4.52922 45.7341 -30.3019 TIMING: 4268400 CPU: 12817.9, 0.00307905/step Wall: 12817.9, 0.00307905/step, 0.625731 hours remaining, 207.703125 MB of memory in use. ENERGY: 4268400 762.9952 2118.7108 1949.8030 110.4031 -206633.2177 18080.5450 0.0000 0.0000 34416.0827 -149194.6779 300.5642 -183610.7606 -149100.0025 299.6884 66.2692 95.9063 556686.5881 3.5989 3.3602 PRESSURE: 4268600 28.6662 -42.9142 -28.0495 -42.9163 -8.79058 150.009 -28.0491 150.009 240.31 GPRESSURE: 4268600 85.4998 -40.6029 -109.276 -18.4217 12.4734 99.8303 31.6177 157.588 261.139 PRESSAVG: 4268600 -13.7294 6.66205 -43.6479 6.66201 50.2547 -16.6422 -43.6478 -16.6421 -26.0689 GPRESSAVG: 4268600 -13.0427 7.18717 -45.1788 7.56202 49.8424 -16.0177 -41.3185 -18.7246 -25.7903 TIMING: 4268600 CPU: 12818.5, 0.00304176/step Wall: 12818.5, 0.00304176/step, 0.617985 hours remaining, 207.703125 MB of memory in use. ENERGY: 4268600 719.2363 2157.9016 1932.5658 120.7441 -206276.1156 17974.1115 0.0000 0.0000 34228.1726 -149143.3838 298.9231 -183371.5564 -149060.5144 299.3463 86.7285 119.7039 556514.6395 3.4855 3.6698 PRESSURE: 4268800 -189 51.0349 51.188 51.0346 -257.571 -50.1114 51.1878 -50.1102 -172.207 GPRESSURE: 4268800 -91.0264 -2.7664 59.4042 92.3747 -279.682 -100.359 -35.4606 15.2295 -152.982 PRESSAVG: 4268800 -8.38705 15.9249 -12.7996 15.9249 -64.432 34.6375 -12.7996 34.6375 82.6954 GPRESSAVG: 4268800 -9.47224 14.6976 -11.0702 16.3534 -64.0732 33.9491 -15.0822 34.9465 82.8661 TIMING: 4268800 CPU: 12819.1, 0.00305887/step Wall: 12819.1, 0.00305887/step, 0.621291 hours remaining, 207.703125 MB of memory in use. ENERGY: 4268800 746.7885 2129.1717 1947.0492 111.5080 -205628.7610 17439.2801 0.0000 0.0000 34186.6058 -149068.3578 298.5601 -183254.9635 -148972.8058 298.8220 -206.2595 -174.5633 557348.9155 3.2921 3.1069 PRESSURE: 4269000 27.0786 -6.45775 10.1689 -6.45794 -39.5411 -132.093 10.1696 -132.093 -143.192 GPRESSURE: 4269000 66.5453 -31.2794 148.001 19.9363 -47.06 -119.527 -63.9917 -193.184 -74.3445 PRESSAVG: 4269000 71.6294 6.47468 -11.5718 6.47466 6.64004 -17.5356 -11.5718 -17.5356 -61.1735 GPRESSAVG: 4269000 71.1676 7.2781 -9.43509 6.58395 6.76923 -16.7682 -10.7957 -18.93 -61.0054 TIMING: 4269000 CPU: 12819.7, 0.00305412/step Wall: 12819.7, 0.00305412/step, 0.620157 hours remaining, 207.703125 MB of memory in use. ENERGY: 4269000 784.7130 2119.1912 1944.2361 110.7979 -205971.0644 17689.1245 0.0000 0.0000 34206.8609 -149116.1407 298.7370 -183323.0016 -149025.7299 299.8101 -51.8848 -18.2864 556194.8865 5.6987 5.6438 PRESSURE: 4269200 134.246 -142.357 50.0241 -142.357 -245.882 -108.248 50.0241 -108.247 -10.196 GPRESSURE: 4269200 142.797 -109.423 9.09918 -133.548 -136.82 -79.9274 52.9581 -127.546 -27.2656 PRESSAVG: 4269200 16.4945 10.3468 7.57238 10.3468 42.5655 -15.491 7.57246 -15.4911 -1.93274 GPRESSAVG: 4269200 16.9884 11.8248 8.42558 11.6443 42.8415 -15.0531 6.80245 -13.3039 -2.06666 TIMING: 4269200 CPU: 12820.3, 0.00306712/step Wall: 12820.3, 0.00306712/step, 0.622625 hours remaining, 207.703125 MB of memory in use. ENERGY: 4269200 716.3369 2099.0042 1940.8106 119.7217 -206220.7436 17797.4987 0.0000 0.0000 34285.9482 -149261.4233 299.4277 -183547.3715 -149158.8021 299.4822 -40.6105 -7.0963 557797.2949 19.0424 19.2544 PRESSURE: 4269400 -286.257 -214.002 -41.0151 -214.002 -225.386 -47.1219 -41.0141 -47.1228 -194.263 GPRESSURE: 4269400 -274.408 -98.6752 22.7438 -244.696 -155.403 -74.3262 -100.976 -67.8362 -170.994 PRESSAVG: 4269400 13.3823 -14.9994 -5.02072 -14.9994 6.40322 -92.9125 -5.02063 -92.9126 33.1078 GPRESSAVG: 4269400 13.4424 -17.7297 -7.01552 -15.3422 5.5711 -94.703 -5.34091 -93.0222 33.8599 TIMING: 4269400 CPU: 12820.9, 0.00306153/step Wall: 12820.9, 0.00306153/step, 0.621321 hours remaining, 207.703125 MB of memory in use. ENERGY: 4269400 771.2783 2099.4228 1941.7126 112.2410 -205787.2184 17527.2957 0.0000 0.0000 34242.3475 -149092.9204 299.0469 -183335.2679 -148991.5745 299.0320 -235.3020 -200.2683 560185.5631 17.6311 17.6245 PRESSURE: 4269600 -179.171 -64.6647 -119.7 -64.6634 -24.4001 -89.9471 -119.7 -89.9481 121.453 GPRESSURE: 4269600 -162.862 -10.3439 -78.4223 -73.6253 51.6363 -122.827 -128.011 -60.1854 118.489 PRESSAVG: 4269600 -34.7215 -10.5252 -35.8266 -10.5252 59.0602 28.8949 -35.8266 28.8949 -31.7473 GPRESSAVG: 4269600 -35.2014 -10.0021 -36.4796 -12.0446 59.8748 31.0048 -34.7314 26.6319 -32.7566 TIMING: 4269600 CPU: 12821.5, 0.0030298/step Wall: 12821.5, 0.0030298/step, 0.614713 hours remaining, 207.703125 MB of memory in use. ENERGY: 4269600 735.9667 2075.0511 1919.0518 118.3793 -206090.8165 17853.7075 0.0000 0.0000 34416.9136 -148971.7464 300.5715 -183388.6600 -148876.9094 300.1671 -27.3727 2.4212 558472.8549 -2.4695 -2.6944 PRESSURE: 4269800 51.1983 -195.928 -74.3312 -195.929 157.908 -32.4307 -74.3309 -32.4301 130.054 GPRESSURE: 4269800 53.0294 -167.312 -82.623 -145.96 178.1 -10.2678 -43.2944 -36.7038 203.575 PRESSAVG: 4269800 -46.9989 26.4194 -56.9078 26.4194 63.9709 -46.2878 -56.9079 -46.2878 27.7147 GPRESSAVG: 4269800 -46.0033 25.6175 -55.0098 28.7925 62.638 -46.8336 -59.4127 -45.4214 27.9667 TIMING: 4269800 CPU: 12822.1, 0.00303824/step Wall: 12822.1, 0.00303824/step, 0.616257 hours remaining, 207.703125 MB of memory in use. ENERGY: 4269800 750.1602 2065.2237 1913.5707 115.2079 -206280.9889 18010.9314 0.0000 0.0000 34444.6898 -148981.2052 300.8140 -183425.8950 -148884.2012 300.4850 113.0533 144.9015 557564.8849 14.8956 14.8671 PRESSURE: 4270000 -185.615 193.276 3.5006 193.276 -121.291 -165.97 3.50053 -165.97 -56.4927 GPRESSURE: 4270000 -154.567 135.822 4.60404 176.994 -85.3883 -164.238 -17.8949 -70.3048 -24.1815 PRESSAVG: 4270000 -21.3918 7.60276 -29.5695 7.60273 4.76237 -22.41 -29.5695 -22.4101 -1.18394 GPRESSAVG: 4270000 -21.8167 9.87354 -32.7792 4.47959 4.34972 -21.4505 -27.1389 -21.9532 -0.30133 TIMING: 4270000 CPU: 12822.8, 0.00304757/step Wall: 12822.8, 0.00304757/step, 0.61798 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: 4270000 759.5734 2034.9564 1936.8013 105.1119 -205927.2779 17635.0163 0.0000 0.0000 34402.4225 -149053.3962 300.4449 -183455.8187 -148948.2306 300.6149 -121.1332 -88.0455 557754.6147 -5.9378 -5.9228 PRESSURE: 4270200 109.006 -63.5939 -4.78515 -63.5955 1.86086 127.138 -4.78453 127.137 372.524 GPRESSURE: 4270200 187.759 -81.4704 61.7557 -32.6466 32.3681 163.597 -31.9991 160.617 372.145 PRESSAVG: 4270200 42.779 13.0444 -10.4239 13.0445 -24.2708 26.5039 -10.4239 26.5039 3.70132 GPRESSAVG: 4270200 42.3762 9.79411 -8.1909 15.5045 -22.8453 25.4741 -10.6824 25.0624 2.55446 TIMING: 4270200 CPU: 12823.4, 0.00305801/step Wall: 12823.4, 0.00305801/step, 0.619927 hours remaining, 207.703125 MB of memory in use. ENERGY: 4270200 751.1911 2082.3226 1939.4256 105.8578 -206152.1234 18058.2787 0.0000 0.0000 34140.8205 -149074.2271 298.1603 -183215.0476 -148980.3987 299.3801 161.1302 197.4241 556737.9684 7.4032 7.3618 PRESSURE: 4270400 256.259 33.4772 89.4175 33.4761 40.7458 -142.952 89.4182 -142.953 -131.661 GPRESSURE: 4270400 260.948 88.9872 126.744 1.91255 54.2131 -94.4797 46.9475 -104.696 -57.3578 PRESSAVG: 4270400 -3.48825 2.40271 35.1881 2.40272 19.4039 -62.2878 35.1881 -62.2878 -21.7381 GPRESSAVG: 4270400 -3.81046 5.67399 35.8122 1.94688 18.308 -61.3458 34.2996 -60.7723 -20.5015 TIMING: 4270400 CPU: 12824, 0.00304939/step Wall: 12824, 0.00304939/step, 0.61801 hours remaining, 207.703125 MB of memory in use. ENERGY: 4270400 755.7527 2123.4781 1936.5811 100.5413 -206461.9722 18032.2553 0.0000 0.0000 34333.8411 -149179.5226 299.8460 -183513.3637 -149083.0228 299.5886 55.1147 85.9343 557019.5420 -1.9408 -2.0013 PRESSURE: 4270600 41.1149 -43.8917 -59.7929 -43.8911 -189.926 -44.9979 -59.7935 -44.9958 23.8004 GPRESSURE: 4270600 43.3178 51.9063 -81.2478 9.1659 -153.706 -79.7119 -50.3389 -63.8763 76.1588 PRESSAVG: 4270600 10.1054 36.5215 -6.74565 36.5214 11.1251 12.7754 -6.74565 12.7755 -19.9009 GPRESSAVG: 4270600 10.4009 35.2878 -8.05906 37.2267 11.3368 11.006 -3.99456 13.0488 -21.1898 TIMING: 4270600 CPU: 12824.6, 0.00304406/step Wall: 12824.6, 0.00304406/step, 0.616761 hours remaining, 207.703125 MB of memory in use. ENERGY: 4270600 781.2785 2093.4665 1927.9702 107.6408 -206333.9580 17950.5770 0.0000 0.0000 34219.3566 -149253.6684 298.8462 -183473.0250 -149159.2794 299.0010 -41.6701 -11.4098 557184.3598 0.4432 0.1826 PRESSURE: 4270800 87.6315 -9.31466 22.3894 -9.31432 -155.398 16.9652 22.3903 16.9659 63.7297 GPRESSURE: 4270800 90.2734 -41.7238 78.4118 0.578438 -137.703 93.7227 13.9502 15.0224 140.169 PRESSAVG: 4270800 15.3233 29.2887 -36.0184 29.2887 -37.8194 46.0095 -36.0183 46.0095 51.6176 GPRESSAVG: 4270800 15.6248 28.9862 -34.808 27.6514 -38.8094 47.6466 -38.6402 44.4817 52.0243 TIMING: 4270800 CPU: 12825.2, 0.00303524/step Wall: 12825.2, 0.00303524/step, 0.614805 hours remaining, 207.703125 MB of memory in use. ENERGY: 4270800 731.0611 2073.8051 1914.6898 109.5362 -206064.0517 17810.7136 0.0000 0.0000 34254.7059 -149169.5399 299.1549 -183424.2458 -149083.7994 299.3468 -1.3456 30.9132 557138.3567 9.7072 9.6132 PRESSURE: 4271000 -118.264 -69.0663 -5.97265 -69.0668 -73.6697 -27.8688 -5.97332 -27.8695 -12.1519 GPRESSURE: 4271000 -53.2047 -25.2826 -52.7701 -75.2042 -58.8745 -2.77576 49.072 -15.8543 9.01865 PRESSAVG: 4271000 14.9671 19.6094 -10.1603 19.6094 -31.1675 31.0704 -10.1604 31.0705 -36.1205 GPRESSAVG: 4271000 15.2377 21.2649 -12.6603 20.151 -31.5025 30.65 -8.92874 31.1906 -35.894 TIMING: 4271000 CPU: 12825.8, 0.00303215/step Wall: 12825.8, 0.00303215/step, 0.614011 hours remaining, 207.703125 MB of memory in use. ENERGY: 4271000 769.9701 2141.6863 1930.5644 105.6720 -206154.5088 17776.3665 0.0000 0.0000 34137.2637 -149292.9858 298.1292 -183430.2495 -149200.5961 299.5177 -68.0287 -34.3535 555792.9966 -17.4403 -17.3863 PRESSURE: 4271200 -19.4265 53.2324 -127.525 53.2336 160.975 30.8172 -127.523 30.8175 388.028 GPRESSURE: 4271200 8.24638 83.9258 -61.5879 -31.6288 191.897 85.3425 -111.277 75.4425 434.215 PRESSAVG: 4271200 2.941 -14.1668 -15.4777 -14.1667 5.49819 21.5058 -15.4777 21.5058 -0.794305 GPRESSAVG: 4271200 2.27248 -15.1827 -14.2017 -15.7831 5.15655 21.5511 -15.637 21.4539 0.417055 TIMING: 4271200 CPU: 12826.4, 0.00303853/step Wall: 12826.4, 0.00303853/step, 0.615134 hours remaining, 207.703125 MB of memory in use. ENERGY: 4271200 728.3228 2130.0070 1922.3522 104.8720 -206316.1002 17972.5882 0.0000 0.0000 34253.1094 -149204.8485 299.1409 -183457.9579 -149108.0183 299.3236 176.5256 211.4527 556705.2559 2.5483 2.6154 PRESSURE: 4271400 91.3923 64.8858 66.2369 64.8862 -9.20307 3.79779 66.237 3.79743 78.4876 GPRESSURE: 4271400 166.837 63.7876 76.6233 92.6322 -20.3076 -69.7572 121.74 -43.9208 111.88 PRESSAVG: 4271400 -32.0248 6.87267 20.2036 6.87278 -33.5341 38.4449 20.2036 38.4448 54.2101 GPRESSAVG: 4271400 -31.9097 6.03596 18.8997 6.45018 -32.7646 37.962 19.8913 39.6006 53.6019 TIMING: 4271400 CPU: 12827, 0.00305207/step Wall: 12827, 0.00305207/step, 0.617705 hours remaining, 207.703125 MB of memory in use. ENERGY: 4271400 762.6902 2114.6227 1925.6597 120.2176 -206245.8023 17870.9530 0.0000 0.0000 34176.1412 -149275.5180 298.4687 -183451.6592 -149178.0783 299.1006 53.5589 86.1366 557164.9033 -3.7829 -3.6908 PRESSURE: 4271600 -93.6614 -73.8331 83.3185 -73.8326 42.4731 30.1598 83.32 30.1583 83.5784 GPRESSURE: 4271600 -62.8767 -45.5514 125.074 -95.2528 86.1776 17.1122 63.9773 30.4153 97.9153 PRESSAVG: 4271600 23.6459 -27.3492 -17.8757 -27.3493 -44.7921 -3.31403 -17.8757 -3.31417 35.8527 GPRESSAVG: 4271600 23.8261 -26.3844 -17.32 -26.0933 -45.3936 -4.23783 -19.6293 -4.0918 35.5339 TIMING: 4271600 CPU: 12827.6, 0.00304212/step Wall: 12827.6, 0.00304212/step, 0.615522 hours remaining, 207.703125 MB of memory in use. ENERGY: 4271600 752.7557 2139.7919 1954.2414 113.8419 -206538.3864 18002.2862 0.0000 0.0000 34235.9848 -149339.4845 298.9914 -183575.4693 -149242.5234 298.9940 10.7967 40.4054 557563.4385 4.9022 4.6555 PRESSURE: 4271800 -169.668 50.4146 61.5625 50.4141 16.6205 -51.8791 61.5621 -51.879 -189.41 GPRESSURE: 4271800 -126.547 17.5871 4.22072 104.208 -9.53699 -123.585 107.325 30.3879 -109.104 PRESSAVG: 4271800 29.8494 -26.6693 -23.7247 -26.6692 26.6511 -9.03449 -23.7247 -9.03444 -25.4553 GPRESSAVG: 4271800 29.4343 -27.3449 -22.5024 -27.2714 26.6723 -8.48418 -23.5324 -7.89012 -24.8547 TIMING: 4271800 CPU: 12828.2, 0.00300606/step Wall: 12828.2, 0.00300606/step, 0.608059 hours remaining, 207.703125 MB of memory in use. ENERGY: 4271800 756.8661 2177.0645 1939.5352 115.4417 -205999.8202 17586.2706 0.0000 0.0000 34063.1469 -149361.4952 297.4819 -183424.6421 -149260.9248 298.3818 -114.1526 -81.7292 558292.6686 10.3484 10.4173 PRESSURE: 4272000 235.794 87.2546 -92.9159 87.2533 -155.025 112.748 -92.915 112.746 214.543 GPRESSURE: 4272000 246.752 113.445 20.6092 160.74 -84.8619 99.3219 -95.7893 76.3733 224.753 PRESSAVG: 4272000 41.6144 -49.578 -16.0512 -49.5779 -36.1075 18.247 -16.0513 18.2471 5.924 GPRESSAVG: 4272000 41.3195 -47.3516 -17.1362 -48.6165 -36.7985 19.4361 -15.0531 16.6493 6.41359 TIMING: 4272000 CPU: 12828.8, 0.00304102/step Wall: 12828.8, 0.00304102/step, 0.614961 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: 4272000 764.9790 2104.0923 1987.7866 110.7387 -206671.0118 18109.3154 0.0000 0.0000 34154.8288 -149439.2709 298.2826 -183594.0997 -149343.7179 298.5648 98.4374 128.8811 556996.8386 3.8103 3.6449 PRESSURE: 4272200 92.9889 36.2961 -106.256 36.297 -270.435 75.6502 -106.256 75.6493 -253.873 GPRESSURE: 4272200 72.4297 147.795 -120.423 -20.5644 -245.327 91.3894 -77.4951 75.0948 -154.368 PRESSAVG: 4272200 29.6891 8.36269 -65.6738 8.36269 -83.6629 -16.3097 -65.6739 -16.3097 33.2938 GPRESSAVG: 4272200 30.0992 7.39193 -65.6991 9.05402 -83.5034 -15.6121 -64.9033 -16.8178 32.8389 TIMING: 4272200 CPU: 12829.4, 0.00303985/step Wall: 12829.4, 0.00303985/step, 0.614556 hours remaining, 207.703125 MB of memory in use. ENERGY: 4272200 747.0880 2134.1002 1940.0183 107.0848 -206048.6161 17727.2786 0.0000 0.0000 34172.8471 -149220.1992 298.4400 -183393.0462 -149119.9467 298.5039 -143.7732 -109.0885 557552.6362 -6.8933 -6.8551 LDB: ============= START OF LOAD BALANCING ============== 12832.9 LDB: ============== END OF LOAD BALANCING =============== 12832.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12832.9 LDB: ============= START OF LOAD BALANCING ============== 12833.2 LDB: Largest compute 4820 load 0.023432 is 19.8% of average load 0.118254 LDB: Average compute 0.001729 is 1.5% of average load 0.118254 LDB: TIME 12833.2 LOAD: AVG 0.118254 MAX 0.222555 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.719 MB LDB: TIME 12833.2 LOAD: AVG 0.118254 MAX 0.222555 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.719 MB LDB: TIME 12833.2 LOAD: AVG 0.118254 MAX 0.222555 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12833.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12833.2 PRESSURE: 4272400 -194.748 20.0675 -82.8071 20.0674 -144.99 -0.702659 -82.8068 -0.702883 -163.941 GPRESSURE: 4272400 -177.617 48.2302 -110.641 56.9515 -56.9881 6.76102 -62.7284 49.8108 -174.697 PRESSAVG: 4272400 86.8547 11.7494 -13.6537 11.7493 -54.2329 -3.74604 -13.6539 -3.74603 6.06996 GPRESSAVG: 4272400 86.6219 14.1034 -13.0529 11.6924 -53.6208 -4.3222 -15.1909 -2.0721 5.58512 TIMING: 4272400 CPU: 12830.1, 0.00307901/step Wall: 12830.1, 0.00307901/step, 0.622303 hours remaining, 209.894531 MB of memory in use. ENERGY: 4272400 754.3833 2122.8147 1963.2643 117.0848 -206215.3398 17708.2992 0.0000 0.0000 34470.6917 -149078.8019 301.0411 -183549.4935 -148981.2528 299.7682 -167.8931 -136.4342 558093.4032 12.8973 12.8620 PRESSURE: 4272600 7.06477 -243.815 -140.214 -243.815 -12.3804 -56.9317 -140.215 -56.9333 -268.347 GPRESSURE: 4272600 16.9488 -224.384 -50.923 -215.081 26.2827 -194.379 -137.987 59.3925 -223.029 PRESSAVG: 4272600 50.8346 21.0253 -10.4606 21.0254 -0.231973 29.285 -10.4605 29.2851 -39.8555 GPRESSAVG: 4272600 52.4991 19.9625 -11.0955 19.9884 -1.28284 29.1978 -10.5444 28.426 -39.5717 TIMING: 4272600 CPU: 12830.7, 0.00305204/step Wall: 12830.7, 0.00305203/step, 0.616681 hours remaining, 210.152344 MB of memory in use. ENERGY: 4272600 721.3113 2142.8408 1936.6542 115.7335 -206029.7774 17684.7724 0.0000 0.0000 34287.9707 -149140.4944 299.4454 -183428.4651 -149047.8939 299.9177 -91.2208 -59.9326 557857.2022 3.5824 3.8815 PRESSURE: 4272800 121.173 44.6637 160.621 44.6643 236.81 136.442 160.621 136.445 -94.407 GPRESSURE: 4272800 155.609 34.5937 133.21 67.6912 266.041 92.4499 176.759 114.602 -81.3991 PRESSAVG: 4272800 52.2438 32.0169 -20.9435 32.0169 50.3862 -25.4351 -20.9435 -25.4351 -89.868 GPRESSAVG: 4272800 51.4437 31.7512 -20.1037 30.705 51.649 -25.1548 -21.7352 -25.7485 -90.6908 TIMING: 4272800 CPU: 12831.3, 0.00305283/step Wall: 12831.3, 0.00305283/step, 0.616671 hours remaining, 210.152344 MB of memory in use. ENERGY: 4272800 750.0978 2103.5074 1941.8937 115.3074 -206501.7063 18033.4561 0.0000 0.0000 34476.6179 -149080.8261 301.0929 -183557.4439 -148993.2560 299.5419 87.8587 113.4171 556817.3863 4.2540 4.1340 PRESSURE: 4273000 314.408 207.056 -49.9761 207.056 271.43 -71.1885 -49.9762 -71.1878 118.729 GPRESSURE: 4273000 306.115 198.442 -46.7517 285.968 351.078 -90.7782 -89.9994 -9.89617 145.403 PRESSAVG: 4273000 -29.0717 57.4701 -4.83818 57.4701 35.7054 -10.2583 -4.83811 -10.2582 -40.3267 GPRESSAVG: 4273000 -29.2895 58.9583 -6.01894 57.8502 34.6554 -10.7906 -1.84332 -7.01053 -38.7335 TIMING: 4273000 CPU: 12831.9, 0.00307543/step Wall: 12831.9, 0.00307543/step, 0.621066 hours remaining, 210.152344 MB of memory in use. ENERGY: 4273000 746.3902 2078.6860 1944.6890 112.2934 -206299.2311 18109.6006 0.0000 0.0000 34096.8171 -149210.7548 297.7760 -183307.5719 -149111.5947 299.8639 234.8559 267.5320 558454.6468 -11.2310 -11.1225 PRESSURE: 4273200 67.3785 -22.9686 -66.8686 -22.9692 -2.92391 -143.819 -66.8684 -143.819 70.2924 GPRESSURE: 4273200 114.031 30.6403 -70.3708 -57.8526 91.3353 -49.3514 -66.8607 -104.981 21.8558 PRESSAVG: 4273200 50.4125 71.5547 -2.41489 71.5547 5.3209 -15.8379 -2.41489 -15.8381 -23.9108 GPRESSAVG: 4273200 51.1416 68.2956 -2.74838 71.6612 5.62745 -14.1911 -4.53121 -18.1072 -24.9635 TIMING: 4273200 CPU: 12832.5, 0.00306299/step Wall: 12832.5, 0.00306299/step, 0.618383 hours remaining, 210.152344 MB of memory in use. ENERGY: 4273200 712.4149 2121.4207 1927.9676 103.0402 -206110.4087 17665.3015 0.0000 0.0000 34496.3317 -149083.9319 301.2650 -183580.2637 -148991.6463 299.1580 44.9157 75.7408 557484.8090 10.6075 10.6019 PRESSURE: 4273400 112.185 77.3061 147.452 77.3066 -68.9489 -45.2041 147.453 -45.2035 -284.669 GPRESSURE: 4273400 150.362 7.02474 91.1806 29.1743 -63.6786 -46.1643 158.674 31.6486 -221.164 PRESSAVG: 4273400 31.0024 -18.5354 12.0712 -18.5355 14.0265 -53.4579 12.0712 -53.458 -41.7759 GPRESSAVG: 4273400 31.1525 -17.5144 13.0694 -19.1582 13.6062 -55.9884 13.4445 -50.8817 -40.9398 TIMING: 4273400 CPU: 12833.1, 0.00303041/step Wall: 12833.1, 0.00303041/step, 0.611639 hours remaining, 210.152344 MB of memory in use. ENERGY: 4273400 757.2642 2122.2444 1943.6612 123.6231 -205822.2119 17749.8044 0.0000 0.0000 34216.6749 -148908.9397 298.8227 -183125.6146 -148815.7375 299.7733 -80.4775 -44.8269 558638.0215 1.0843 1.2730 PRESSURE: 4273600 72.2254 54.8893 78.3392 54.89 170.515 -89.7598 78.3391 -89.7584 -196.694 GPRESSURE: 4273600 162.923 110.347 95.202 49.1474 185.268 -73.7655 45.8629 -78.0636 -189.567 PRESSAVG: 4273600 -0.482092 -24.75 -12.2596 -24.75 43.8181 26.4306 -12.2596 26.4305 -57.9112 GPRESSAVG: 4273600 -0.573612 -25.3802 -14.4043 -24.0749 44.667 27.2287 -13.0456 24.7693 -58.5245 TIMING: 4273600 CPU: 12833.7, 0.00304211/step Wall: 12833.7, 0.00304211/step, 0.61383 hours remaining, 210.152344 MB of memory in use. ENERGY: 4273600 757.1308 2100.1318 1928.5796 120.4271 -205967.1990 17742.0100 0.0000 0.0000 34274.7882 -149044.1316 299.3302 -183318.9198 -148942.7428 300.1633 15.3489 52.8749 557601.7674 -4.8584 -4.8104 PRESSURE: 4273800 203.052 138.499 -51.3238 138.5 149.22 8.58097 -51.324 8.58054 -101.497 GPRESSURE: 4273800 268.508 83.1785 -96.0083 103.03 198 25.3393 -37.5723 -22.9829 -110.372 PRESSAVG: 4273800 50.2614 83.1011 1.79593 83.101 1.46324 -4.75876 1.79594 -4.75891 -36.086 GPRESSAVG: 4273800 49.4839 83.0863 4.53603 83.9142 1.50978 -6.27034 1.64829 -4.94828 -35.645 TIMING: 4273800 CPU: 12834.3, 0.00304107/step Wall: 12834.3, 0.00304107/step, 0.613451 hours remaining, 210.152344 MB of memory in use. ENERGY: 4273800 758.6803 2079.9808 1942.7405 108.2096 -206297.7764 17962.9357 0.0000 0.0000 34271.4541 -149173.7753 299.3011 -183445.2295 -149075.7118 299.6697 83.5915 118.7118 556812.7939 5.2129 5.1162 PRESSURE: 4274000 -62.9059 49.3671 -132.683 49.3678 -350.931 -65.7102 -132.684 -65.7097 -190.319 GPRESSURE: 4274000 -6.79768 98.2017 -223.478 55.9355 -325.211 -0.420768 -109.499 -93.9146 -170.408 PRESSAVG: 4274000 27.878 40.3629 -14.2619 40.3629 -66.4513 -29.3822 -14.2619 -29.3823 8.91283 GPRESSAVG: 4274000 28.4267 42.3588 -15.3727 38.7291 -66.3372 -28.0304 -13.3859 -30.8925 7.89497 TIMING: 4274000 CPU: 12834.9, 0.00303195/step Wall: 12834.9, 0.00303195/step, 0.611442 hours remaining, 210.152344 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: 4274000 724.9765 2141.0897 1938.5152 113.5915 -205924.2536 17568.7094 0.0000 0.0000 34124.7745 -149312.5968 298.0201 -183437.3713 -149209.7457 299.1984 -201.3853 -167.4723 557902.0407 -9.8868 -10.0052 PRESSURE: 4274200 276.08 30.356 -61.5588 30.3556 101.074 -165.692 -61.5597 -165.689 102.275 GPRESSURE: 4274200 303.239 82.2363 -147.08 -9.3475 146.735 -221.192 2.95055 -105.71 127.283 PRESSAVG: 4274200 39.1522 -21.1098 -7.33077 -21.1097 -2.66589 -76.7733 -7.33078 -76.7733 -30.2313 GPRESSAVG: 4274200 38.5612 -23.6941 -7.28819 -20.5909 -3.14243 -76.6444 -8.54354 -75.1129 -29.3594 TIMING: 4274200 CPU: 12835.5, 0.00303722/step Wall: 12835.5, 0.00303722/step, 0.612338 hours remaining, 210.152344 MB of memory in use. ENERGY: 4274200 733.3585 2102.0165 1952.3750 106.3010 -206623.2169 18053.5994 0.0000 0.0000 34309.6692 -149365.8974 299.6349 -183675.5666 -149267.5176 298.5775 159.8094 192.4192 556409.7501 2.0850 2.0198 PRESSURE: 4274400 -130.357 -19.2779 -16.8659 -19.2787 117.807 6.65484 -16.8652 6.65511 44.6087 GPRESSURE: 4274400 -24.4681 -70.2286 59.0712 9.81948 93.169 -35.9163 77.6065 23.9357 64.2707 PRESSAVG: 4274400 -53.9806 -46.5551 -20.5877 -46.5551 34.2462 2.45257 -20.5878 2.45238 49.1451 GPRESSAVG: 4274400 -53.2961 -44.2519 -19.6603 -48.3065 33.1202 1.41049 -19.1747 1.74582 48.8502 TIMING: 4274400 CPU: 12836.1, 0.00303021/step Wall: 12836.1, 0.00303022/step, 0.610757 hours remaining, 210.152344 MB of memory in use. ENERGY: 4274400 761.0427 2141.8428 1962.8773 110.4689 -206480.3226 17916.5090 0.0000 0.0000 34346.0913 -149241.4905 299.9530 -183587.5819 -149148.9626 300.0609 10.6864 44.3239 558075.1594 9.8036 9.5581 PRESSURE: 4274600 39.616 46.0394 11.7597 46.0407 -107.399 48.9534 11.7584 48.9529 -50.0362 GPRESSURE: 4274600 49.6319 109.567 -67.9835 47.2144 0.314325 57.7546 124.796 35.7128 -65.0553 PRESSAVG: 4274600 -28.7275 55.6136 22.0609 55.6136 26.0289 80.4232 22.0609 80.4232 25.5333 GPRESSAVG: 4274600 -28.3778 55.3958 20.6399 58.6771 25.3271 82.0289 21.5445 80.3497 26.0492 TIMING: 4274600 CPU: 12836.7, 0.00301959/step Wall: 12836.7, 0.00301959/step, 0.608448 hours remaining, 210.386719 MB of memory in use. ENERGY: 4274600 716.7209 2091.1895 1945.1398 132.7820 -206134.9149 17714.2806 0.0000 0.0000 34370.0962 -149164.7059 300.1626 -183534.8020 -149062.7559 299.4896 -39.2731 -5.0364 557648.5649 7.6115 7.6662 PRESSURE: 4274800 -52.1276 41.2334 5.15651 41.2344 -71.4554 78.5004 5.15619 78.5001 -2.89373 GPRESSURE: 4274800 -0.12325 26.3479 -28.8367 91.516 -29.3055 18.9214 60.4436 116.222 -17.1936 PRESSAVG: 4274800 7.62993 32.7747 -2.86109 32.7747 -3.82636 15.8786 -2.86115 15.8786 -25.4394 GPRESSAVG: 4274800 7.44766 32.4045 -2.99682 30.5546 -3.43172 13.7167 -1.88641 16.3537 -26.1658 TIMING: 4274800 CPU: 12837.4, 0.00302238/step Wall: 12837.4, 0.00302238/step, 0.608842 hours remaining, 210.386719 MB of memory in use. ENERGY: 4274800 727.3159 2076.5056 1946.7524 115.2587 -205938.6970 17742.8547 0.0000 0.0000 34199.5157 -149130.4940 298.6729 -183330.0097 -149037.9598 299.5371 -42.1589 -15.5408 557235.9605 -7.2119 -7.3833 PRESSURE: 4275000 -77.8457 82.766 -163.378 82.7665 -322.429 -92.2847 -163.378 -92.2829 -368.78 GPRESSURE: 4275000 -23.2665 -15.9854 -100.091 83.9477 -287.12 -93.5079 -157.442 6.68189 -335.051 PRESSAVG: 4275000 43.3279 0.564902 30.1871 0.56482 -33.7107 -2.17758 30.1871 -2.17752 -13.4393 GPRESSAVG: 4275000 42.798 -1.48724 31.1276 1.16823 -33.4141 -2.04145 28.908 -1.26063 -12.9393 TIMING: 4275000 CPU: 12838, 0.00302946/step Wall: 12838, 0.00302946/step, 0.610099 hours remaining, 210.386719 MB of memory in use. ENERGY: 4275000 732.2706 2093.8960 1919.9849 119.2129 -205968.0013 17540.1466 0.0000 0.0000 34446.7919 -149115.6984 300.8324 -183562.4903 -149025.5357 299.3044 -256.3514 -215.1458 557712.5953 -1.2740 -1.1851 PRESSURE: 4275200 36.3706 -61.9826 -148.219 -61.9811 56.8589 96.8446 -148.219 96.8441 -50.4202 GPRESSURE: 4275200 119.775 -108.435 -109.576 -27.4617 37.9755 72.7592 -186.998 165.821 -30.4213 PRESSAVG: 4275200 -47.44 38.2048 19.7667 38.2048 -29.2923 -1.88116 19.7667 -1.88122 84.0044 GPRESSAVG: 4275200 -46.6738 39.1772 19.0532 38.7032 -29.9237 -2.45322 20.1013 -2.84385 83.8718 TIMING: 4275200 CPU: 12838.6, 0.0030643/step Wall: 12838.6, 0.0030643/step, 0.616946 hours remaining, 210.386719 MB of memory in use. ENERGY: 4275200 775.1135 2116.3844 1921.4380 112.0039 -206301.2371 17907.6085 0.0000 0.0000 34380.3315 -149088.3573 300.2520 -183468.6888 -148980.5537 299.0449 14.2698 42.4432 558428.5602 2.4240 2.4248 PRESSURE: 4275400 -438.223 -84.041 -53.8781 -84.0409 -48.7241 26.7292 -53.8787 26.7292 -267.582 GPRESSURE: 4275400 -346.195 15.7614 -39.6888 -65.5054 -44.3743 68.1669 -68.5829 18.9325 -273.672 PRESSAVG: 4275400 -8.82714 -18.1111 -7.10791 -18.1111 2.29609 10.5132 -7.1079 10.5132 -3.68924 GPRESSAVG: 4275400 -9.3238 -18.045 -7.50533 -19.6278 2.21453 11.8164 -8.6614 11.8976 -2.89201 TIMING: 4275400 CPU: 12839.2, 0.00303775/step Wall: 12839.2, 0.00303775/step, 0.611431 hours remaining, 210.386719 MB of memory in use. ENERGY: 4275400 776.2805 2092.2232 1934.2448 106.5873 -205784.6686 17524.8361 0.0000 0.0000 34170.5048 -149179.9918 298.4195 -183350.4965 -149084.9704 300.1116 -251.5095 -221.4138 559066.2934 -3.4068 -3.3338 PRESSURE: 4275600 50.8658 2.82123 -86.7002 2.82133 -66.9924 156.919 -86.7005 156.918 100.143 GPRESSURE: 4275600 73.8114 -3.32099 -64.548 62.1858 -8.63524 139.939 -87.0384 101.69 109.15 PRESSAVG: 4275600 -40.3837 19.9675 14.1401 19.9674 -12.8215 35.1244 14.14 35.1245 29.0406 GPRESSAVG: 4275600 -40.063 20.8959 13.7332 19.222 -11.6347 35.962 17.1479 32.9191 28.1914 TIMING: 4275600 CPU: 12839.8, 0.00302803/step Wall: 12839.8, 0.00302803/step, 0.609307 hours remaining, 210.386719 MB of memory in use. ENERGY: 4275600 744.7655 2125.4328 1932.8257 108.0589 -206277.2442 17825.7753 0.0000 0.0000 34202.8344 -149337.5517 298.7019 -183540.3861 -149245.4366 298.3052 28.0056 58.1088 556623.8512 -8.0549 -7.8355 PRESSURE: 4275800 -4.40253 -115.309 -51.1611 -115.311 109.762 -2.09455 -51.1611 -2.09508 -197.674 GPRESSURE: 4275800 7.17853 -181.917 -1.21474 -119.247 115.523 -18.1748 -62.1869 2.76287 -115.577 PRESSAVG: 4275800 93.1454 68.2666 -24.3279 68.2666 -58.8736 19.6296 -24.3279 19.6296 -25.0317 GPRESSAVG: 4275800 92.5304 66.01 -21.4827 69.7844 -58.3534 18.035 -27.4073 20.6499 -24.9937 TIMING: 4275800 CPU: 12840.4, 0.00305771/step Wall: 12840.4, 0.00305771/step, 0.615109 hours remaining, 210.386719 MB of memory in use. ENERGY: 4275800 736.2855 2101.3839 1960.2728 120.2644 -206267.5137 17822.9226 0.0000 0.0000 34245.2640 -149281.1204 299.0724 -183526.3845 -149180.2954 299.2925 -30.7716 2.3749 557541.3821 3.0800 3.0611 PRESSURE: 4276000 -290.186 156.518 66.8579 156.517 -304.121 -61.8932 66.8569 -61.8929 -193.975 GPRESSURE: 4276000 -219.974 151.181 64.1864 141.833 -320.932 11.7472 40.8981 -60.4587 -150.425 PRESSAVG: 4276000 38.2985 -29.8101 11.3662 -29.8101 -51.7201 -56.0577 11.3663 -56.0577 0.00193727 GPRESSAVG: 4276000 38.5164 -30.2856 10.3749 -30.2017 -52.6198 -53.188 11.3411 -56.7058 0.106938 TIMING: 4276000 CPU: 12841, 0.00306954/step Wall: 12841, 0.00306954/step, 0.617319 hours remaining, 210.386719 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: 4276000 799.0298 2120.4307 1943.7169 114.6318 -205957.3419 17548.6967 0.0000 0.0000 34090.6537 -149340.1822 297.7222 -183430.8359 -149241.3524 298.8249 -262.7609 -230.4434 557995.4518 -4.4732 -4.6655 PRESSURE: 4276200 67.2589 -43.1723 -56.0163 -43.1734 115.2 -79.5681 -56.0168 -79.5668 1.57525 GPRESSURE: 4276200 99.2893 -33.7625 -14.0044 -74.5629 185.279 -57.631 -63.7123 -49.7736 3.62045 PRESSAVG: 4276200 -40.9708 -5.8269 -32.0647 -5.82688 13.3325 3.27846 -32.0647 3.27851 7.00005 GPRESSAVG: 4276200 -41.0152 -4.82617 -33.1582 -4.48153 14.3928 0.454805 -31.839 4.27652 5.95728 TIMING: 4276200 CPU: 12841.6, 0.00304687/step Wall: 12841.6, 0.00304687/step, 0.612591 hours remaining, 210.386719 MB of memory in use. ENERGY: 4276200 739.9533 2052.2246 1963.5897 115.2147 -206322.0218 18016.5543 0.0000 0.0000 34256.1108 -149178.3743 299.1671 -183434.4852 -149080.4656 298.9026 61.3446 96.0628 558149.3779 -6.8794 -6.8884 LDB: ============= START OF LOAD BALANCING ============== 12845.1 LDB: ============== END OF LOAD BALANCING =============== 12845.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12845.1 LDB: ============= START OF LOAD BALANCING ============== 12845.4 LDB: Largest compute 4820 load 0.023100 is 19.6% of average load 0.118059 LDB: Average compute 0.001735 is 1.5% of average load 0.118059 LDB: TIME 12845.4 LOAD: AVG 0.118059 MAX 0.223205 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.406 MB LDB: TIME 12845.4 LOAD: AVG 0.118059 MAX 0.223205 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.406 MB LDB: TIME 12845.4 LOAD: AVG 0.118059 MAX 0.223205 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.406 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12845.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12845.4 PRESSURE: 4276400 -53.9404 -2.46104 -35.4634 -2.46165 64.5807 177.207 -35.463 177.206 7.9724 GPRESSURE: 4276400 -52.2687 55.1805 -55.1158 74.2971 117.556 144.195 -66.9319 161.17 56.4652 PRESSAVG: 4276400 -44.7331 11.6315 23.61 11.6314 22.268 -24.7149 23.6099 -24.7149 3.7845 GPRESSAVG: 4276400 -45.3129 11.7552 23.4069 11.9533 21.6353 -24.3179 24.8395 -25.3934 4.95177 TIMING: 4276400 CPU: 12842.2, 0.00312268/step Wall: 12842.2, 0.00312268/step, 0.627659 hours remaining, 207.277344 MB of memory in use. ENERGY: 4276400 728.8168 2093.8244 1943.0046 113.7429 -206145.4392 17759.1482 0.0000 0.0000 34491.7608 -149015.1414 301.2251 -183506.9022 -148919.0895 299.7194 6.2042 40.5841 558462.7330 -6.2269 -6.2420 PRESSURE: 4276600 156.256 87.0022 -95.667 87.0021 114.799 -16.8002 -95.666 -16.7989 -36.2672 GPRESSURE: 4276600 129.864 150.83 -45.1491 56.6997 156.188 -18.3969 -111.497 -15.6732 38.0489 PRESSAVG: 4276600 -33.4816 -8.51757 -34.9807 -8.51767 49.0593 -13.3493 -34.9806 -13.3493 -6.64391 GPRESSAVG: 4276600 -32.2799 -10.5533 -34.67 -7.57446 49.1655 -13.9818 -35.5359 -13.1486 -7.82755 TIMING: 4276600 CPU: 12842.9, 0.00306993/step Wall: 12842.9, 0.00306993/step, 0.616885 hours remaining, 207.277344 MB of memory in use. ENERGY: 4276600 758.6621 2106.9745 1907.9623 119.8350 -206155.7110 17922.2974 0.0000 0.0000 34350.4277 -148989.5519 299.9908 -183339.9796 -148892.4468 300.0595 78.2625 108.0335 558722.0670 2.9779 3.0194 PRESSURE: 4276800 296.636 -15.4548 -51.7456 -15.4563 -49.4479 197.658 -51.7451 197.659 -48.948 GPRESSURE: 4276800 266.299 -0.359701 53.0076 46.9874 16.928 179.062 -142.522 207.828 17.7558 PRESSAVG: 4276800 4.93916 31.6568 8.88337 31.6568 -40.9706 -16.4735 8.88328 -16.4736 60.1209 GPRESSAVG: 4276800 4.31299 33.8102 7.81896 27.7709 -42.2739 -15.9578 9.17525 -15.7633 61.9308 TIMING: 4276800 CPU: 12843.5, 0.00306866/step Wall: 12843.5, 0.00306866/step, 0.61646 hours remaining, 207.277344 MB of memory in use. ENERGY: 4276800 716.0778 2122.9468 1908.3479 124.0748 -206146.9296 17848.6613 0.0000 0.0000 34525.7256 -148901.0955 301.5217 -183426.8211 -148797.1778 300.4214 66.0800 100.3275 557856.4751 8.0298 7.9900 PRESSURE: 4277000 -323.856 80.6642 13.7287 80.6645 -319.046 87.1736 13.7281 87.1719 -269.103 GPRESSURE: 4277000 -215.466 83.8198 78.0322 83.2221 -271.975 127.513 51.6528 14.0223 -321.964 PRESSAVG: 4277000 41.5061 -47.4101 36.5858 -47.4102 -12.4855 -21.6925 36.5859 -21.6926 -0.463985 GPRESSAVG: 4277000 42.5874 -48.0214 38.987 -47.8708 -12.2714 -23.1429 37.2121 -21.4575 -1.77316 TIMING: 4277000 CPU: 12844.1, 0.00306545/step Wall: 12844.1, 0.00306545/step, 0.615644 hours remaining, 207.277344 MB of memory in use. ENERGY: 4277000 756.9342 2129.7903 1933.6879 115.4496 -205320.4650 17171.3608 0.0000 0.0000 34473.3860 -148739.8562 301.0647 -183213.2422 -148640.7897 300.1051 -304.0018 -269.8019 558723.8999 9.5189 9.5143 PRESSURE: 4277200 -399.328 169.895 -78.9573 169.895 -282.952 0.616703 -78.9569 0.616558 -105.885 GPRESSURE: 4277200 -406.117 107.589 -176.395 167.45 -255.95 -30.125 0.201027 43.8588 -33.572 PRESSAVG: 4277200 -32.6786 7.88984 -12.6167 7.88989 -2.28824 17.3593 -12.6167 17.3593 89.235 GPRESSAVG: 4277200 -33.6167 7.74699 -14.9179 10.1061 -1.98921 19.7237 -10.9474 15.4773 90.0046 TIMING: 4277200 CPU: 12844.7, 0.00308151/step Wall: 12844.7, 0.00308151/step, 0.618699 hours remaining, 207.277344 MB of memory in use. ENERGY: 4277200 728.7134 2096.3569 1927.4900 111.2560 -205385.1617 17297.1263 0.0000 0.0000 34313.2407 -148910.9784 299.6661 -183224.2191 -148820.5850 300.4072 -262.7217 -231.8796 558678.9270 18.0894 18.1329 PRESSURE: 4277400 129.389 -85.5019 46.5622 -85.5022 187.9 31.8869 46.5616 31.8874 85.5229 GPRESSURE: 4277400 202.499 -31.3888 28.7068 -86.8358 175.855 78.9816 116.969 -48.0876 136.343 PRESSAVG: 4277400 -2.51769 -4.93487 -16.6442 -4.9349 -43.8168 -48.1621 -16.6443 -48.162 24.5802 GPRESSAVG: 4277400 -3.32832 -6.06307 -15.7318 -4.50249 -43.4016 -46.7495 -17.2816 -48.6754 25.4614 TIMING: 4277400 CPU: 12845.3, 0.0030877/step Wall: 12845.3, 0.0030877/step, 0.61977 hours remaining, 207.277344 MB of memory in use. ENERGY: 4277400 713.4346 2097.8536 1945.9624 107.4188 -206316.8114 18030.6221 0.0000 0.0000 34571.0199 -148850.4998 301.9173 -183421.5197 -148759.2152 300.4573 134.2706 171.5659 556158.3694 -7.2514 -7.0895 PRESSURE: 4277600 -44.174 -113.667 -112.78 -113.666 38.9478 -155.438 -112.779 -155.437 -119.493 GPRESSURE: 4277600 -20.0585 -54.7282 -110.131 -154.362 109.85 -74.4261 -120.375 -156.965 -103.898 PRESSAVG: 4277600 31.6814 -2.29945 -31.4115 -2.2994 -43.248 -11.1924 -31.4115 -11.1924 54.4979 GPRESSAVG: 4277600 32.4394 -2.0264 -30.8736 -2.65983 -43.839 -14.7363 -31.5174 -9.29041 54.2537 TIMING: 4277600 CPU: 12845.9, 0.0030467/step Wall: 12845.9, 0.0030467/step, 0.611372 hours remaining, 207.277344 MB of memory in use. ENERGY: 4277600 739.2943 2096.6163 1953.2967 114.1767 -206008.6891 17683.6015 0.0000 0.0000 34622.9072 -148798.7964 302.3705 -183421.7036 -148702.7098 300.9183 -41.5731 -4.7021 557767.6388 14.3104 14.2847 PRESSURE: 4277800 -181.159 110.465 73.8543 110.465 -248.068 -125.192 73.8536 -125.192 145.458 GPRESSURE: 4277800 -178.636 58.433 148.102 134.24 -162.506 -135.727 12.7542 -185.639 155.157 PRESSAVG: 4277800 -15.5095 4.92247 43.3696 4.92245 -31.7333 -4.10604 43.3697 -4.10601 30.9107 GPRESSAVG: 4277800 -16.344 5.86724 44.2395 4.56319 -30.9695 -2.47522 41.3548 -5.73763 31.2053 TIMING: 4277800 CPU: 12846.5, 0.00303158/step Wall: 12846.5, 0.00303158/step, 0.608168 hours remaining, 207.277344 MB of memory in use. ENERGY: 4277800 727.5295 2102.8579 1946.1215 106.1037 -205690.8366 17673.0656 0.0000 0.0000 34433.8823 -148701.2762 300.7197 -183135.1585 -148608.3427 301.0339 -94.5894 -61.9949 558526.8419 -5.4441 -5.3694 PRESSURE: 4278000 206.791 107.903 259.145 107.903 210.754 51.0672 259.144 51.0667 24.1356 GPRESSURE: 4278000 316.485 47.6182 274.641 101.398 163.73 160.545 275.247 62.108 52.1888 PRESSAVG: 4278000 2.19466 -21.3765 20.1986 -21.3765 -25.1633 18.1485 20.1986 18.1485 58.7898 GPRESSAVG: 4278000 3.66645 -20.6103 18.1791 -21.837 -26.2487 19.4885 21.5584 19.4368 58.1232 TIMING: 4278000 CPU: 12847.2, 0.00308209/step Wall: 12847.2, 0.00308209/step, 0.61813 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: 4278000 742.0062 2088.9560 1954.6071 114.7690 -205890.4818 17895.2250 0.0000 0.0000 34312.0143 -148782.9042 299.6554 -183094.9185 -148691.1476 300.7743 147.2268 177.4681 558028.9193 11.9404 11.8470 PRESSURE: 4278200 3.6469 -65.8892 -91.9405 -65.889 -151.905 110.77 -91.9401 110.768 -112.046 GPRESSURE: 4278200 56.1957 -41.4196 -12.56 19.6257 -132.263 58.3203 -144.206 14.876 -96.5977 PRESSAVG: 4278200 -49.676 -3.29829 -24.4561 -3.29829 30.4209 28.6301 -24.4561 28.63 28.0648 GPRESSAVG: 4278200 -49.8544 -2.92738 -23.6661 -3.58143 29.907 28.3872 -23.15 27.7504 28.9961 TIMING: 4278200 CPU: 12847.8, 0.00308577/step Wall: 12847.8, 0.00308577/step, 0.618697 hours remaining, 207.277344 MB of memory in use. ENERGY: 4278200 760.3822 2149.5399 1954.2725 109.7672 -205581.5084 17474.6783 0.0000 0.0000 34504.8282 -148628.0401 301.3392 -183132.8683 -148533.6058 300.1409 -86.7680 -57.5550 556813.1012 2.9366 3.0162 PRESSURE: 4278400 -237.448 -145.366 -7.49772 -145.365 -237.369 54.888 -7.4988 54.8884 -309.167 GPRESSURE: 4278400 -251.641 -139.212 12.7226 -124.897 -171.372 100.725 -18.3255 -9.44783 -272.401 PRESSAVG: 4278400 -46.8165 8.89283 6.44824 8.89284 47.0841 12.9879 6.44821 12.9879 29.1867 GPRESSAVG: 4278400 -46.7797 7.15002 6.63333 9.36379 48.4554 11.0566 5.64318 13.898 27.6617 TIMING: 4278400 CPU: 12848.4, 0.0030643/step Wall: 12848.4, 0.0030643/step, 0.614221 hours remaining, 207.277344 MB of memory in use. ENERGY: 4278400 785.1950 2117.6602 1921.0304 97.0625 -205239.8179 17189.9564 0.0000 0.0000 34617.8134 -148511.0999 302.3260 -183128.9134 -148408.6711 301.4753 -261.3279 -231.8044 558392.3727 9.8181 9.7791 PRESSURE: 4278600 -191.358 -17.0395 17.0023 -17.0387 126.468 94.1917 17.0023 94.1955 -29.5166 GPRESSURE: 4278600 -137.16 -85.7977 43.326 -60.125 132.516 56.5119 -7.7531 76.2086 6.82606 PRESSAVG: 4278600 -38.2447 48.4238 -3.49479 48.4238 53.2083 -1.2886 -3.49479 -1.28863 -15.6546 GPRESSAVG: 4278600 -39.1748 47.8591 -4.6459 48.9393 53.3709 -0.183827 -4.95639 -2.32861 -15.8119 TIMING: 4278600 CPU: 12849, 0.0030495/step Wall: 12849, 0.0030495/step, 0.611087 hours remaining, 207.277344 MB of memory in use. ENERGY: 4278600 734.4735 2138.0373 1929.1878 102.4545 -205848.7245 17728.6745 0.0000 0.0000 34536.7884 -148679.1086 301.6184 -183215.8970 -148579.5258 301.8676 -31.4688 0.7274 557696.6810 -0.2303 -0.5386 PRESSURE: 4278800 -176.534 101.564 -38.8411 101.564 37.6563 83.6019 -38.8411 83.5997 47.4112 GPRESSURE: 4278800 -161.378 77.7795 -25.8843 93.3268 42.4855 11.9715 1.32303 112.522 105.098 PRESSAVG: 4278800 -79.1634 5.9916 1.33754 5.99164 62.4068 -29.5431 1.33749 -29.5432 25.7804 GPRESSAVG: 4278800 -78.2622 7.03222 3.67727 6.54181 61.6212 -30.3794 0.164106 -28.635 25.8458 TIMING: 4278800 CPU: 12849.6, 0.00303137/step Wall: 12849.6, 0.00303137/step, 0.607284 hours remaining, 207.277344 MB of memory in use. ENERGY: 4278800 776.6453 2110.0273 1922.0404 126.4183 -205817.6069 17699.6751 0.0000 0.0000 34452.0829 -148730.7176 300.8786 -183182.8005 -148639.2009 300.6009 -30.4888 -4.5983 558754.8244 3.0079 3.0683 PRESSURE: 4279000 -11.3537 177.401 -24.481 177.401 125.028 73.6174 -24.4803 73.6167 6.32173 GPRESSURE: 4279000 10.1206 127.038 -105.205 223.885 170.238 116.361 17.7684 -1.3774 44.992 PRESSAVG: 4279000 26.6437 -19.7308 28.9162 -19.731 -3.61161 24.9722 28.9162 24.9722 -22.0867 GPRESSAVG: 4279000 26.8724 -21.8975 28.1169 -20.3397 -5.18098 26.9905 29.38 23.6322 -21.0925 TIMING: 4279000 CPU: 12850.2, 0.00301444/step Wall: 12850.2, 0.00301444/step, 0.603725 hours remaining, 207.277344 MB of memory in use. ENERGY: 4279000 804.5305 2137.8032 1931.5150 112.9195 -206163.4723 17798.6258 0.0000 0.0000 34659.9065 -148718.1718 302.6936 -183378.0783 -148628.7397 300.4925 39.9988 75.1170 557225.0285 0.3151 0.1996 PRESSURE: 4279200 67.7937 53.0877 -59.4838 53.0882 98.4494 -100.193 -59.4837 -100.191 -342.361 GPRESSURE: 4279200 130.61 59.8959 -137.057 -14.3108 92.8485 -128.982 -65.2355 -108.847 -305.759 PRESSAVG: 4279200 62.0079 52.0099 33.6893 52.0099 21.2693 -7.16001 33.6894 -7.16001 -56.9325 GPRESSAVG: 4279200 61.293 53.2833 32.0969 50.9338 22.5741 -9.33227 34.9909 -4.80644 -57.3881 TIMING: 4279200 CPU: 12850.8, 0.00304761/step Wall: 12850.8, 0.00304761/step, 0.610199 hours remaining, 207.277344 MB of memory in use. ENERGY: 4279200 768.5675 2108.5265 1928.5626 119.7434 -205865.5550 17749.1895 0.0000 0.0000 34463.4764 -148727.4892 300.9781 -183190.9655 -148631.1968 300.4044 -58.7060 -27.4335 557676.0313 8.7816 8.8263 PRESSURE: 4279400 16.9276 -31.4116 -41.2545 -31.4113 -201.836 -57.2135 -41.2538 -57.2126 -107.375 GPRESSURE: 4279400 83.0798 -3.05307 -8.44073 55.2028 -160.944 -44.2319 8.83426 -20.3351 -125.737 PRESSAVG: 4279400 78.6542 -25.241 16.7437 -25.241 7.49649 10.2581 16.7436 10.2581 -61.4458 GPRESSAVG: 4279400 78.4576 -25.4506 17.8716 -23.3323 8.29223 11.915 16.9215 10.143 -62.0759 TIMING: 4279400 CPU: 12851.4, 0.00304985/step Wall: 12851.4, 0.00304985/step, 0.610478 hours remaining, 207.277344 MB of memory in use. ENERGY: 4279400 784.6918 2076.1567 1935.6786 110.4248 -205932.4072 17777.0352 0.0000 0.0000 34513.9697 -148734.4503 301.4191 -183248.4200 -148640.0102 301.6450 -97.4278 -67.8670 558073.6845 8.2350 8.2246 PRESSURE: 4279600 -85.0068 -20.8692 -57.3859 -20.8693 -196.079 -102.841 -57.387 -102.84 -30.1306 GPRESSURE: 4279600 -91.4955 -62.6124 -115.717 31.0381 -136.154 -177.15 -23.0765 -7.0021 2.78224 PRESSAVG: 4279600 42.2643 11.0737 -19.6097 11.0736 -37.0098 12.9818 -19.6096 12.9818 -3.94959 GPRESSAVG: 4279600 41.4755 11.1801 -20.3552 9.38942 -36.5598 11.1683 -19.124 11.0774 -3.67427 TIMING: 4279600 CPU: 12852, 0.00307222/step Wall: 12852, 0.00307222/step, 0.614786 hours remaining, 207.277344 MB of memory in use. ENERGY: 4279600 761.8762 2161.0032 1917.6959 124.6313 -205858.7842 17702.7688 0.0000 0.0000 34295.2931 -148895.5158 299.5093 -183190.8088 -148796.8583 299.7718 -103.7389 -74.9559 558130.0575 0.4350 0.4138 PRESSURE: 4279800 -360.103 115.628 38.8261 115.629 -429.383 159.678 38.8265 159.679 -218.982 GPRESSURE: 4279800 -364.57 91.0866 -25.6275 92.6746 -402.437 136.38 -11.2028 152.042 -147.364 PRESSAVG: 4279800 -35.6724 30.771 27.9995 30.7711 17.7071 41.4473 27.9995 41.4472 17.6036 GPRESSAVG: 4279800 -34.327 31.0303 30.2685 31.6594 15.5624 43.2493 26.1209 41.5742 18.0889 TIMING: 4279800 CPU: 12852.7, 0.00309645/step Wall: 12852.7, 0.00309645/step, 0.619461 hours remaining, 207.277344 MB of memory in use. ENERGY: 4279800 731.0761 2131.8782 1911.6319 110.1565 -205608.1797 17243.9868 0.0000 0.0000 34381.4744 -149097.9759 300.2620 -183479.4503 -148997.6732 300.5355 -336.1560 -304.7903 559084.8028 -0.1206 -0.2252 PRESSURE: 4280000 -185.499 40.3956 -20.4051 40.3951 67.2117 -121.059 -20.4057 -121.059 47.4952 GPRESSURE: 4280000 -162.074 94.3041 54.9557 32.5975 135.559 -6.41736 -65.4733 -122.38 48.0897 PRESSAVG: 4280000 17.2852 -12.067 -38.6091 -12.0671 -17.1492 32.7615 -38.6092 32.7616 -33.3376 GPRESSAVG: 4280000 17.446 -12.3459 -39.4624 -11.3303 -16.6198 32.0661 -39.6546 32.3893 -34.1906 TIMING: 4280000 CPU: 12853.3, 0.00306759/step Wall: 12853.3, 0.00306759/step, 0.613518 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: 4280000 724.1897 2126.1188 1938.5759 103.4015 -206000.5081 17686.1016 0.0000 0.0000 34110.2729 -149311.8477 297.8935 -183422.1207 -149218.7368 299.2776 -23.5974 7.1915 556669.1458 -11.0672 -11.1214 PRESSURE: 4280200 -19.2537 101.65 -185.526 101.651 -251.898 -205.068 -185.526 -205.068 178.81 GPRESSURE: 4280200 19.3136 185.167 -139.187 27.1414 -195.268 -226.802 -251.878 -145.429 181.556 PRESSAVG: 4280200 -38.7557 -22.1276 -32.155 -22.1277 7.11638 -49.7771 -32.155 -49.777 36.3036 GPRESSAVG: 4280200 -39.4479 -19.8162 -31.8518 -24.1522 7.18977 -49.3412 -32.0627 -49.7413 36.8973 TIMING: 4280200 CPU: 12853.9, 0.00305882/step Wall: 12853.9, 0.00305882/step, 0.611593 hours remaining, 207.277344 MB of memory in use. ENERGY: 4280200 731.2774 2130.2040 1962.2595 100.4039 -205955.8738 17643.0833 0.0000 0.0000 34172.4618 -149216.1839 298.4366 -183388.6456 -149118.2730 298.8885 -30.7807 1.8672 557372.4907 1.5548 1.5464 LDB: ============= START OF LOAD BALANCING ============== 12857.3 LDB: ============== END OF LOAD BALANCING =============== 12857.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12857.3 LDB: ============= START OF LOAD BALANCING ============== 12857.6 LDB: Largest compute 4820 load 0.023555 is 20.0% of average load 0.118047 LDB: Average compute 0.001727 is 1.5% of average load 0.118047 LDB: TIME 12857.6 LOAD: AVG 0.118047 MAX 0.221133 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.07 MB LDB: TIME 12857.6 LOAD: AVG 0.118047 MAX 0.221133 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.07 MB LDB: TIME 12857.6 LOAD: AVG 0.118047 MAX 0.221133 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.07 MB LDB: ============== END OF LOAD BALANCING =============== 12857.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12857.6 PRESSURE: 4280400 -512.013 28.6026 -51.5733 28.6034 58.4535 9.80042 -51.5724 9.799 -17.4669 GPRESSURE: 4280400 -448.547 14.3116 -115.496 124.094 95.6018 -35.2375 -33.6126 21.6304 -16.3476 PRESSAVG: 4280400 -122.797 -4.15848 -32.8987 -4.15846 47.4095 -11.1265 -32.8987 -11.1265 25.1282 GPRESSAVG: 4280400 -122.572 -3.86051 -33.4948 -3.14358 48.0978 -11.3579 -31.5661 -11.4595 24.4758 TIMING: 4280400 CPU: 12854.5, 0.00312724/step Wall: 12854.5, 0.00312724/step, 0.625101 hours remaining, 209.195312 MB of memory in use. ENERGY: 4280400 788.9110 2171.6035 1938.2698 90.9580 -205801.4411 17480.9041 0.0000 0.0000 33944.3602 -149386.4345 296.4445 -183330.7947 -149299.3645 297.8178 -157.0087 -123.0975 557739.2154 -16.7530 -16.6660 PRESSURE: 4280600 -202.454 168.74 -251.311 168.739 97.7235 49.3463 -251.311 49.3462 -187.465 GPRESSURE: 4280600 -166.715 211.16 -256.914 136.226 114.102 -69.5233 -96.2503 27.0478 -142.745 PRESSAVG: 4280600 -105.739 -0.0984688 2.71278 -0.0984601 87.1876 42.9389 2.71279 42.9388 -3.61363 GPRESSAVG: 4280600 -106.373 -2.32585 1.36503 -1.18291 87.01 42.7492 3.94351 42.534 -2.35012 TIMING: 4280600 CPU: 12855.1, 0.00307798/step Wall: 12855.1, 0.00307798/step, 0.615083 hours remaining, 209.398438 MB of memory in use. ENERGY: 4280600 775.3594 2100.9888 1913.2060 112.0841 -206461.5455 17941.9353 0.0000 0.0000 34201.8119 -149416.1600 298.6929 -183617.9719 -149310.8911 298.6620 -97.3984 -65.1191 556128.5971 -7.3883 -7.2378 PRESSURE: 4280800 -55.1273 89.901 -7.98931 89.9014 15.2033 88.5086 -7.98989 88.5112 25.0222 GPRESSURE: 4280800 -16.3436 158.298 -1.77365 92.7831 63.7475 55.6131 -5.66267 70.3457 30.791 PRESSAVG: 4280800 53.1434 -5.00685 -2.17644 -5.00688 -39.4295 21.1301 -2.17647 21.1301 29.8877 GPRESSAVG: 4280800 52.9866 -3.1572 -0.727842 -5.12116 -39.033 18.808 -0.339914 23.7609 28.861 TIMING: 4280800 CPU: 12855.7, 0.00307143/step Wall: 12855.7, 0.00307143/step, 0.613604 hours remaining, 209.398438 MB of memory in use. ENERGY: 4280800 725.8479 2167.1364 1908.3738 114.6915 -206256.9108 17866.5058 0.0000 0.0000 34180.3073 -149294.0481 298.5051 -183474.3554 -149197.9184 298.1993 -4.9673 26.0650 557007.6736 14.5338 14.2715 PRESSURE: 4281000 -164.426 87.2036 168.387 87.2034 -139.91 -53.0282 168.387 -53.0284 -114.496 GPRESSURE: 4281000 -116.033 110.411 108.509 80.0824 -109.047 -32.8685 161.86 -23.8291 -100.361 PRESSAVG: 4281000 -6.66058 -11.377 32.2665 -11.377 6.75391 25.0494 32.2665 25.0493 -1.73307 GPRESSAVG: 4281000 -6.28957 -13.2171 30.7947 -10.4308 5.60003 26.4865 31.1351 24.0687 -1.10616 TIMING: 4281000 CPU: 12856.3, 0.00306751/step Wall: 12856.3, 0.00306751/step, 0.61265 hours remaining, 209.597656 MB of memory in use. ENERGY: 4281000 775.2917 2100.9252 1920.0065 113.4620 -206223.4062 17701.5693 0.0000 0.0000 34362.4470 -149249.7045 300.0958 -183612.1515 -149155.4718 299.1586 -139.6106 -108.4803 557684.4724 -0.5466 -0.5986 PRESSURE: 4281200 -52.0806 -102.586 24.8813 -102.586 -383.256 -29.5879 24.8804 -29.5884 21.9487 GPRESSURE: 4281200 -27.2363 -125.829 16.9072 -121.21 -399.769 -76.1377 95.0014 -23.8731 115.534 PRESSAVG: 4281200 18.4938 -27.0869 -26.4465 -27.087 -10.1616 -20.1794 -26.4466 -20.1793 32.9759 GPRESSAVG: 4281200 18.8024 -25.5982 -25.0183 -29.1047 -9.80094 -21.4899 -27.8057 -19.4148 32.5884 TIMING: 4281200 CPU: 12857, 0.00306611/step Wall: 12857, 0.00306611/step, 0.612199 hours remaining, 209.597656 MB of memory in use. ENERGY: 4281200 758.5795 2060.5042 1946.2450 119.7078 -206275.2318 17775.5237 0.0000 0.0000 34469.8075 -149144.8642 301.0334 -183614.6717 -149055.1919 299.8812 -137.7958 -103.8236 558253.3554 13.7694 13.8633 PRESSURE: 4281400 -10.2532 -115.719 92.1018 -115.721 -160.031 -83.6731 92.1011 -83.6729 155.873 GPRESSURE: 4281400 70.9175 -120.791 75.7805 -101.381 -148.519 -157.242 166.419 -51.5927 160.545 PRESSAVG: 4281400 15.5063 -65.306 0.361691 -65.306 -110.376 -27.9647 0.361582 -27.9647 71.1607 GPRESSAVG: 4281400 15.4158 -65.8884 0.769608 -62.3179 -110.083 -26.5352 -1.55213 -28.0739 71.7459 TIMING: 4281400 CPU: 12857.6, 0.00305881/step Wall: 12857.6, 0.00305881/step, 0.610571 hours remaining, 209.667969 MB of memory in use. ENERGY: 4281400 784.3519 2103.3512 1925.0270 106.1811 -206405.1832 17966.5596 0.0000 0.0000 34377.7229 -149141.9895 300.2292 -183519.7124 -149040.9781 300.0686 -4.8036 27.6476 558305.8072 -7.9031 -7.6405 PRESSURE: 4281600 -326.96 -107.222 -45.7422 -107.223 -14.0327 262.972 -45.7432 262.972 1.40843 GPRESSURE: 4281600 -287.026 -13.8648 -28.8428 -161.424 20.4741 280.194 48.0236 276.383 36.2002 PRESSAVG: 4281600 -64.3862 34.9012 24.4922 34.9012 -28.778 26.4907 24.4921 26.4908 83.9377 GPRESSAVG: 4281600 -64.2941 33.6196 23.4043 34.2213 -29.7683 27.2791 27.4607 24.7969 84.8015 TIMING: 4281600 CPU: 12858.2, 0.00308817/step Wall: 12858.2, 0.00308817/step, 0.616262 hours remaining, 209.667969 MB of memory in use. ENERGY: 4281600 804.6365 2090.3971 1951.4097 130.8627 -206252.8893 17875.9178 0.0000 0.0000 34220.6770 -149178.9885 298.8577 -183399.6655 -149080.2351 299.5551 -113.1948 -76.7840 558257.6518 -3.0755 -3.0870 PRESSURE: 4281800 -138.061 65.5268 6.58471 65.5272 -91.8753 -20.4681 6.58622 -20.4684 -256.169 GPRESSURE: 4281800 -41.1705 89.6126 -26.304 97.2624 -93.4745 31.8665 -14.2794 41.2025 -238.775 PRESSAVG: 4281800 24.8037 -16.251 5.06156 -16.251 -35.3404 46.4443 5.06151 46.4443 21.8217 GPRESSAVG: 4281800 24.5486 -15.7071 5.96524 -16.8842 -33.0344 46.7216 6.36897 47.6483 19.7814 TIMING: 4281800 CPU: 12858.8, 0.00308011/step Wall: 12858.8, 0.00308011/step, 0.614482 hours remaining, 209.667969 MB of memory in use. ENERGY: 4281800 774.8151 2110.7335 1948.0560 105.6312 -206143.8059 17653.4641 0.0000 0.0000 34368.6292 -149182.4768 300.1498 -183551.1061 -149080.3415 299.3581 -162.0351 -124.4733 558095.1379 3.7617 3.7652 PRESSURE: 4282000 -110.588 131.155 -130.011 131.155 -125.993 59.0512 -130.012 59.051 -138.821 GPRESSURE: 4282000 -128.053 106.31 -142.549 -8.05008 -2.45398 100.898 -112.605 96.9691 -141.229 PRESSAVG: 4282000 57.2261 15.8358 -2.86992 15.8359 -27.6855 29.0331 -2.86991 29.033 -3.88708 GPRESSAVG: 4282000 57.7548 17.2608 -3.42123 15.9577 -28.6026 27.9878 -5.13055 29.4705 -3.53063 TIMING: 4282000 CPU: 12859.4, 0.00305969/step Wall: 12859.4, 0.00305969/step, 0.610237 hours remaining, 209.667969 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: 4282000 738.1807 2110.5982 1948.1178 118.9548 -205906.3983 17528.6258 0.0000 0.0000 34326.2443 -149135.6767 299.7796 -183461.9210 -149041.9090 299.7495 -125.1338 -90.5785 558870.9553 8.5512 8.5405 PRESSURE: 4282200 92.0085 174.457 80.4237 174.457 25.9813 130.038 80.4239 130.037 -312.185 GPRESSURE: 4282200 113.77 159.396 0.168956 267.626 36.3418 126.792 47.5775 106.414 -241.134 PRESSAVG: 4282200 31.8516 -6.73001 -53.3024 -6.73 -13.6458 -1.99185 -53.3024 -1.99184 -19.326 GPRESSAVG: 4282200 31.8181 -8.2397 -54.8189 -5.31945 -13.5939 -0.949967 -54.0432 -2.0547 -19.0227 TIMING: 4282200 CPU: 12860, 0.00303635/step Wall: 12860, 0.00303635/step, 0.605414 hours remaining, 209.667969 MB of memory in use. ENERGY: 4282200 762.6989 2123.2806 1986.3189 118.4266 -206037.3817 17634.1277 0.0000 0.0000 34327.2941 -149085.2350 299.7888 -183412.5290 -148979.7809 299.2622 -64.7318 -30.3406 556383.6980 -0.3734 -0.2661 PRESSURE: 4282400 -68.766 3.26549 -218.766 3.26493 104.03 -56.5061 -218.766 -56.5031 -48.0481 GPRESSURE: 4282400 -10.0413 18.9463 -297.264 -51.5804 105.092 5.91678 -71.6932 -18.527 -24.6952 PRESSAVG: 4282400 60.6176 -0.877653 -23.6246 -0.877606 16.361 6.01224 -23.6247 6.01216 -68.1094 GPRESSAVG: 4282400 60.3717 0.787583 -24.2389 -3.19305 16.3499 6.94392 -24.0708 6.83522 -68.2905 TIMING: 4282400 CPU: 12860.6, 0.00302067/step Wall: 12860.6, 0.00302067/step, 0.602121 hours remaining, 209.667969 MB of memory in use. ENERGY: 4282400 741.1751 2203.9488 1941.2877 108.4793 -206402.8319 17933.0378 0.0000 0.0000 34306.8126 -149168.0907 299.6099 -183474.9033 -149071.5550 300.0307 -4.2615 23.4519 556614.6503 2.9564 2.8104 PRESSURE: 4282600 141.651 -74.1933 18.7306 -74.1929 -25.3237 -23.1982 18.7299 -23.1989 -222.734 GPRESSURE: 4282600 187.782 -80.3107 30.8768 -66.1197 -5.52332 -42.347 -40.86 62.929 -188.93 PRESSAVG: 4282600 43.8068 -42.9462 9.89424 -42.9462 -3.86456 13.1699 9.89425 13.1699 -72.6478 GPRESSAVG: 4282600 43.6843 -45.2012 11.9186 -41.4403 -5.03576 12.4091 11.2083 13.1411 -71.4241 TIMING: 4282600 CPU: 12861.2, 0.00300702/step Wall: 12861.2, 0.00300702/step, 0.599232 hours remaining, 209.667969 MB of memory in use. ENERGY: 4282600 782.9860 2131.7382 1971.8846 115.4651 -206261.1071 17784.3135 0.0000 0.0000 34132.7606 -149341.9592 298.0899 -183474.7197 -149242.4817 299.3270 -35.4688 -2.2235 557375.6722 -10.9018 -10.9252 PRESSURE: 4282800 290.67 -53.7779 -86.6061 -53.779 69.9628 -32.2857 -86.6071 -32.2875 -233.002 GPRESSURE: 4282800 356.136 -78.9631 -159.771 -22.1461 91.4243 82.676 -70.2295 -47.7284 -233.049 PRESSAVG: 4282800 78.7493 2.97869 -24.1374 2.97866 -18.6641 8.81475 -24.1374 8.81468 -73.9827 GPRESSAVG: 4282800 78.5566 4.77715 -24.9458 2.37694 -17.4333 11.2015 -24.422 5.71126 -75.1186 TIMING: 4282800 CPU: 12861.8, 0.00302753/step Wall: 12861.8, 0.00302753/step, 0.60315 hours remaining, 209.667969 MB of memory in use. ENERGY: 4282800 789.9522 2180.9627 1965.3204 116.6482 -206714.9583 18095.1596 0.0000 0.0000 34326.3935 -149240.5217 299.7809 -183566.9152 -149139.8244 299.5072 42.5435 71.5038 556322.6855 -4.6325 -4.6651 PRESSURE: 4283000 291.704 -82.6516 -2.32214 -82.6526 15.6491 26.0279 -2.3215 26.0283 188.741 GPRESSURE: 4283000 286.683 -60.3696 66.4218 -64.0462 134.46 76.1996 -20.1265 -30.2602 179.269 PRESSAVG: 4283000 51.5318 -0.693944 -32.5347 -0.69399 -6.81931 4.64735 -32.5348 4.64724 -50.9027 GPRESSAVG: 4283000 50.6565 -2.00513 -30.4778 -0.145866 -7.1369 1.84783 -32.0226 7.11917 -49.6056 TIMING: 4283000 CPU: 12862.4, 0.00304582/step Wall: 12862.4, 0.00304582/step, 0.606627 hours remaining, 209.667969 MB of memory in use. ENERGY: 4283000 746.6736 2200.1208 1980.2375 103.8924 -206476.1923 17868.7590 0.0000 0.0000 34431.1699 -149145.3391 300.6960 -183576.5090 -149042.2467 299.8458 165.3648 200.1375 556542.3110 -2.0634 -2.0287 PRESSURE: 4283200 -143.193 135.623 241.93 135.623 208.052 40.9739 241.929 40.9735 -52.3146 GPRESSURE: 4283200 -98.2213 181.537 229.618 88.894 199.829 44.1634 279.201 78.7577 18.1403 PRESSAVG: 4283200 -49.9054 9.17301 17.4395 9.17306 19.5148 -11.1488 17.4396 -11.1489 27.5817 GPRESSAVG: 4283200 -48.8682 10.6048 17.511 9.48828 19.4905 -10.1606 17.4113 -9.90221 26.3398 TIMING: 4283200 CPU: 12863.1, 0.00303563/step Wall: 12863.1, 0.00303563/step, 0.604427 hours remaining, 209.667969 MB of memory in use. ENERGY: 4283200 740.3743 2166.8551 1945.4207 121.7008 -206572.5552 17826.2690 0.0000 0.0000 34521.6016 -149250.3337 301.4857 -183771.9353 -149147.5694 300.1522 4.1814 39.9160 555387.2593 -0.9363 -1.0126 PRESSURE: 4283400 -201.164 -174.498 9.25751 -174.497 -11.1399 -65.9958 9.25754 -65.9958 -76.3735 GPRESSURE: 4283400 -154.124 -100.269 7.51518 -150.545 57.0536 -90.193 96.5484 -45.8301 -72.2833 PRESSAVG: 4283400 -44.963 6.50707 56.9254 6.50711 62.6162 20.994 56.9255 20.994 0.863439 GPRESSAVG: 4283400 -45.5881 3.32064 55.1421 6.68645 63.2916 18.5271 57.5426 20.9636 0.623388 TIMING: 4283400 CPU: 12863.7, 0.00304889/step Wall: 12863.7, 0.00304889/step, 0.606898 hours remaining, 209.667969 MB of memory in use. ENERGY: 4283400 778.8782 2140.3954 1963.1492 109.4997 -205984.2713 17837.6094 0.0000 0.0000 34044.0241 -149110.7152 297.3149 -183154.7393 -149007.3520 299.4398 -96.2256 -56.4511 558702.8899 6.1722 6.1089 PRESSURE: 4283600 -342.956 -65.3429 139.596 -65.3422 -148.923 -106.982 139.597 -106.982 -116.734 GPRESSURE: 4283600 -368.228 -14.9603 150.46 29.7706 -120.733 -53.6187 124.147 -90.5465 -32.7235 PRESSAVG: 4283600 -27.4983 -24.981 21.7768 -24.981 14.8034 -42.7037 21.7767 -42.7037 1.89673 GPRESSAVG: 4283600 -28.4592 -21.7418 21.764 -23.8235 14.6605 -41.8165 22.4308 -43.0901 2.50594 TIMING: 4283600 CPU: 12864.3, 0.00305846/step Wall: 12864.3, 0.00305846/step, 0.608633 hours remaining, 209.667969 MB of memory in use. ENERGY: 4283600 753.3942 2131.5379 1956.1203 124.4745 -205692.6078 17380.6074 0.0000 0.0000 34184.2465 -149162.2271 298.5395 -183346.4735 -149060.8129 299.3805 -202.8711 -173.8946 558431.6647 -3.5994 -3.7642 PRESSURE: 4283800 -72.6006 -101.377 -134.401 -101.375 55.9227 -133.279 -134.403 -133.281 264.106 GPRESSURE: 4283800 -53.5108 -90.2083 -152.53 -138.774 61.2021 -109.4 -46.486 -183.548 337.623 PRESSAVG: 4283800 -41.8893 -8.54079 34.8577 -8.54077 53.6298 -36.7421 34.8576 -36.7421 21.9486 GPRESSAVG: 4283800 -41.7846 -9.41263 35.7757 -9.92968 53.302 -34.5889 33.982 -38.4083 22.2427 TIMING: 4283800 CPU: 12864.9, 0.00306965/step Wall: 12864.9, 0.00306965/step, 0.610691 hours remaining, 209.667969 MB of memory in use. ENERGY: 4283800 741.3274 2168.7700 1949.5340 118.9364 -206057.6396 17858.2903 0.0000 0.0000 34252.4944 -148968.2871 299.1356 -183220.7814 -148864.7287 300.1508 82.4762 115.1048 558629.3272 11.2297 11.2534 PRESSURE: 4284000 -197.397 -50.0056 85.1067 -50.0053 -59.9364 33.4867 85.1076 33.4855 -104.108 GPRESSURE: 4284000 -134.646 -52.9711 84.9443 -84.6736 -19.3498 -41.1196 77.059 25.1384 -108.195 PRESSAVG: 4284000 -8.89139 12.7654 1.98786 12.7654 -11.5234 45.4567 1.98799 45.4566 23.6788 GPRESSAVG: 4284000 -8.90431 12.0287 2.11309 12.9705 -11.7652 43.6208 1.22555 46.7036 23.8042 TIMING: 4284000 CPU: 12865.5, 0.00307777/step Wall: 12865.5, 0.00307777/step, 0.612134 hours remaining, 209.667969 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: 4284000 743.1225 2168.4515 1934.3254 110.3257 -206207.8374 17708.1759 0.0000 0.0000 34517.1615 -149026.2749 301.4470 -183543.4364 -148916.9165 300.0481 -120.4804 -87.3969 558319.2074 1.0880 1.0449 PRESSURE: 4284200 -64.5084 163.92 177.856 163.92 -51.3718 -188.035 177.856 -188.035 23.1961 GPRESSURE: 4284200 -4.35809 179.284 158.964 89.2693 -40.6899 -183.141 136.83 -236.964 55.1791 PRESSAVG: 4284200 -37.6183 32.8084 39.0343 32.8083 3.7468 -5.33288 39.0342 -5.33283 34.178 GPRESSAVG: 4284200 -37.7409 34.5072 37.8828 30.8868 3.89714 -4.40224 38.4077 -4.72226 33.8288 TIMING: 4284200 CPU: 12866.1, 0.003085/step Wall: 12866.1, 0.003085/step, 0.613401 hours remaining, 209.667969 MB of memory in use. ENERGY: 4284200 787.4274 2056.0833 1912.8513 104.3006 -206398.2138 18013.1437 0.0000 0.0000 34399.8498 -149124.5577 300.4224 -183524.4075 -149030.3510 299.9016 -30.8947 3.3771 559221.6207 0.1021 -0.0050 LDB: ============= START OF LOAD BALANCING ============== 12869.6 LDB: ============== END OF LOAD BALANCING =============== 12869.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12869.6 LDB: ============= START OF LOAD BALANCING ============== 12869.9 LDB: Largest compute 4820 load 0.024509 is 20.8% of average load 0.118112 LDB: Average compute 0.001736 is 1.5% of average load 0.118112 LDB: TIME 12869.9 LOAD: AVG 0.118112 MAX 0.221527 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 12869.9 LOAD: AVG 0.118112 MAX 0.221527 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.117 MB LDB: TIME 12869.9 LOAD: AVG 0.118112 MAX 0.221527 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.117 MB LDB: ============== END OF LOAD BALANCING =============== 12869.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12869.9 PRESSURE: 4284400 -405.887 120.664 -50.9918 120.664 46.3512 104.143 -50.9928 104.143 -100.358 GPRESSURE: 4284400 -336.024 75.3453 -113.186 168.844 100.531 162.345 -42.7953 88.7133 -118.225 PRESSAVG: 4284400 -58.8099 16.6629 -18.7849 16.6629 13.2196 18.5503 -18.785 18.5503 5.12234 GPRESSAVG: 4284400 -59.4635 16.7811 -19.2621 16.64 13.5345 18.8508 -18.1292 18.021 5.06531 TIMING: 4284400 CPU: 12866.8, 0.00314442/step Wall: 12866.8, 0.00314442/step, 0.625042 hours remaining, 207.976562 MB of memory in use. ENERGY: 4284400 790.5498 2134.1209 1955.7503 116.5919 -206029.4028 17833.1363 0.0000 0.0000 34313.7577 -148885.4959 299.6706 -183199.2536 -148783.6613 300.3035 -153.2981 -117.9059 560179.8441 -13.4893 -13.6212 PRESSURE: 4284600 87.9563 -156.894 -182.722 -156.895 101.415 47.1041 -182.724 47.1038 148.853 GPRESSURE: 4284600 91.9761 -166.565 -192.101 -163.785 103.315 69.9826 -77.9699 63.9712 249.592 PRESSAVG: 4284600 -71.2327 -32.134 -34.5148 -32.1342 73.0673 -8.68963 -34.5148 -8.68966 -2.13023 GPRESSAVG: 4284600 -70.2457 -32.3516 -34.9249 -32.5165 72.5835 -9.33844 -34.7605 -10.1556 -2.63113 TIMING: 4284600 CPU: 12867.4, 0.00309138/step Wall: 12867.4, 0.00309138/step, 0.614326 hours remaining, 208.179688 MB of memory in use. ENERGY: 4284600 718.7775 2126.2595 1984.2313 107.6030 -206536.6513 18197.6284 0.0000 0.0000 34480.9651 -148921.1866 301.1308 -183402.1517 -148824.0434 300.4449 112.7413 148.2944 559028.0012 -0.0985 -0.0978 PRESSURE: 4284800 -45.6807 1.2876 1.08385 1.28711 -270.11 -133.386 1.0833 -133.386 -76.299 GPRESSURE: 4284800 -45.4689 -26.7306 -30.978 14.7133 -206.615 -149.569 -34.2606 -117.195 -33.0778 PRESSAVG: 4284800 -19.9597 25.7492 -8.4417 25.7491 13.0155 16.2349 -8.44181 16.2349 25.2861 GPRESSAVG: 4284800 -20.788 25.0944 -7.79354 27.2631 13.3238 16.7893 -8.14946 15.847 25.4264 TIMING: 4284800 CPU: 12868, 0.00306519/step Wall: 12868, 0.00306519/step, 0.608952 hours remaining, 208.332031 MB of memory in use. ENERGY: 4284800 766.2943 2205.4493 1967.4622 111.2343 -205913.4478 17671.9858 0.0000 0.0000 34193.1366 -148997.8853 298.6172 -183191.0218 -148900.3701 299.7437 -130.6965 -95.0539 559311.0769 6.1140 5.9874 PRESSURE: 4285000 -416.851 -81.3201 32.5648 -81.3199 -266.046 170.714 32.5664 170.715 12.4684 GPRESSURE: 4285000 -400.614 -80.0543 68.7973 -72.3837 -252.046 175.441 71.5249 230.154 79.3913 PRESSAVG: 4285000 28.1397 -46.542 -15.0871 -46.5421 -10.7695 -9.53893 -15.0871 -9.53904 4.58761 GPRESSAVG: 4285000 29.1352 -46.5952 -15.7589 -46.0422 -11.533 -11.0093 -14.8116 -7.53867 4.41087 TIMING: 4285000 CPU: 12868.6, 0.00303798/step Wall: 12868.6, 0.00303798/step, 0.603376 hours remaining, 208.332031 MB of memory in use. ENERGY: 4285000 781.4665 2105.2343 1931.6705 113.6746 -205759.9905 17534.0052 0.0000 0.0000 34378.5072 -148915.4322 300.2361 -183293.9394 -148812.8780 299.4803 -223.4761 -191.0895 558665.8257 7.3193 7.3377 PRESSURE: 4285200 96.6074 -9.82497 -12.4656 -9.82544 -113.76 -236.774 -12.4648 -236.774 75.9109 GPRESSURE: 4285200 168.589 -43.8415 -62.213 -39.2313 -115.563 -209.714 -34.7624 -243.765 91.1918 PRESSAVG: 4285200 10.2074 17.1964 20.8559 17.1964 38.7461 26.2753 20.8559 26.2754 -35.2687 GPRESSAVG: 4285200 9.13299 16.0073 22.6055 18.364 40.0819 26.8273 20.8966 25.5297 -35.8828 TIMING: 4285200 CPU: 12869.2, 0.00304752/step Wall: 12869.2, 0.00304752/step, 0.605103 hours remaining, 208.332031 MB of memory in use. ENERGY: 4285200 732.9957 2209.2803 1934.0071 108.8587 -206040.9718 17818.6594 0.0000 0.0000 34452.2526 -148784.9179 300.8801 -183237.1706 -148684.3408 300.4925 19.5861 48.0725 558209.2488 4.5616 4.4440 PRESSURE: 4285400 121.268 43.6079 85.6982 43.6084 -78.7366 -47.5026 85.6973 -47.5024 -357.958 GPRESSURE: 4285400 96.68 81.3504 51.2639 132.948 -65.8562 -83.8368 89.7644 -40.3714 -246.181 PRESSAVG: 4285400 10.0689 6.95258 17.6855 6.95256 10.2628 -41.329 17.6855 -41.3289 -46.7543 GPRESSAVG: 4285400 9.8842 8.49521 16.5019 4.93726 9.60049 -42.0153 17.5668 -40.5056 -46.2163 TIMING: 4285400 CPU: 12869.8, 0.00306389/step Wall: 12869.8, 0.00306389/step, 0.608183 hours remaining, 208.332031 MB of memory in use. ENERGY: 4285400 729.3515 2070.4881 1948.0555 99.7938 -205449.1599 17457.9081 0.0000 0.0000 34378.5539 -148765.0089 300.2365 -183143.5628 -148672.0047 300.7349 -105.1422 -71.7859 557692.8387 -8.8075 -8.9105 PRESSURE: 4285600 -139.127 -25.1104 -54.7871 -25.1104 103.357 -15.8383 -54.7882 -15.8382 -199.803 GPRESSURE: 4285600 -67.2396 -102.761 -117.892 27.6121 91.5384 -30.4097 -70.9881 18.8234 -156.994 PRESSAVG: 4285600 7.88 7.30085 -35.6033 7.30081 47.5791 60.6845 -35.6033 60.6844 -0.895406 GPRESSAVG: 4285600 7.14829 8.04961 -36.3404 8.73757 47.3932 60.7172 -34.191 60.2862 -0.00817122 TIMING: 4285600 CPU: 12870.4, 0.00308904/step Wall: 12870.4, 0.00308904/step, 0.613002 hours remaining, 208.332031 MB of memory in use. ENERGY: 4285600 754.7825 2118.7845 1942.8246 111.8886 -205826.3254 17586.7643 0.0000 0.0000 34417.3841 -148893.8967 300.5756 -183311.2808 -148792.8876 301.0594 -78.5242 -44.2318 556940.0584 18.1879 18.1778 PRESSURE: 4285800 255.28 73.4111 -22.4959 73.4115 -174.973 36.9919 -22.4963 36.9926 -150.932 GPRESSURE: 4285800 296.74 23.2496 -15.2543 114.904 -151.401 29.4234 -52.9243 59.5963 -106.489 PRESSAVG: 4285800 2.68709 25.8739 -30.8421 25.8738 68.9497 1.73656 -30.842 1.73655 -59.1789 GPRESSAVG: 4285800 3.92218 22.3924 -29.855 27.2781 69.9561 2.91336 -30.7717 1.11471 -60.6924 TIMING: 4285800 CPU: 12871, 0.00306162/step Wall: 12871, 0.00306162/step, 0.607392 hours remaining, 208.332031 MB of memory in use. ENERGY: 4285800 792.5387 2125.3886 1952.3424 103.8936 -205821.9636 17656.8374 0.0000 0.0000 34322.7819 -148868.1810 299.7494 -183190.9629 -148771.1614 300.7951 -23.5418 12.9500 557931.8459 4.1526 4.3953 PRESSURE: 4286000 0.611512 53.0812 -15.861 53.0823 98.3197 -17.3278 -15.8612 -17.3293 30.6599 GPRESSURE: 4286000 14.3713 56.8556 -110.208 25.095 174.19 -15.6243 31.3187 -60.3906 36.194 PRESSAVG: 4286000 -4.56967 16.0998 -13.9496 16.0999 40.4149 38.4926 -13.9496 38.4927 7.69623 GPRESSAVG: 4286000 -5.98651 19.0885 -14.0848 13.8132 40.842 36.7402 -15.4422 38.0425 8.67065 TIMING: 4286000 CPU: 12871.7, 0.00305222/step Wall: 12871.7, 0.00305222/step, 0.605356 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: 4286000 736.1313 2109.7198 1975.9409 128.4620 -205734.1189 17603.7619 0.0000 0.0000 34506.6313 -148673.4716 301.3550 -183180.1029 -148572.2814 300.6188 43.1970 74.9186 556361.8554 14.5138 14.5087 PRESSURE: 4286200 -77.2352 -139.684 -35.3242 -139.684 -240.313 43.8228 -35.3253 43.8222 140.166 GPRESSURE: 4286200 -44.4321 -119.554 -84.0063 -162.8 -146.078 5.12953 -81.2016 27.6822 121.597 PRESSAVG: 4286200 30.3634 45.8037 -5.7502 45.8037 -2.37059 -33.4148 -5.75023 -33.4147 -27.5324 GPRESSAVG: 4286200 31.0196 45.0124 -6.54046 47.0373 -2.4141 -32.4366 -3.41133 -31.4979 -27.7847 TIMING: 4286200 CPU: 12872.3, 0.00305173/step Wall: 12872.3, 0.00305173/step, 0.605091 hours remaining, 208.332031 MB of memory in use. ENERGY: 4286200 776.7548 2032.0524 1933.0547 100.4093 -205673.7410 17708.8275 0.0000 0.0000 34453.9914 -148668.6508 300.8953 -183122.6423 -148565.8442 300.9213 -59.1274 -22.9709 558311.8538 0.1535 0.2736 PRESSURE: 4286400 -390.693 37.8411 8.7751 37.8404 -278.944 -28.7819 8.77601 -28.7818 -281.876 GPRESSURE: 4286400 -353.787 -4.21135 41.8436 63.5783 -241.45 -108.563 31.8703 5.65278 -251.496 PRESSAVG: 4286400 33.8742 46.243 7.35136 46.2429 -55.3121 23.7231 7.35144 23.7232 -6.54694 GPRESSAVG: 4286400 34.3555 47.5143 8.79465 44.3525 -56.358 24.1096 5.11404 22.0287 -5.39189 TIMING: 4286400 CPU: 12872.9, 0.00305456/step Wall: 12872.9, 0.00305456/step, 0.605482 hours remaining, 208.332031 MB of memory in use. ENERGY: 4286400 794.7820 2083.2576 1948.2257 114.7277 -205406.9164 17470.8746 0.0000 0.0000 34429.8867 -148565.1621 300.6848 -182995.0488 -148465.0854 300.9023 -317.1712 -282.2442 560229.6482 -9.3283 -9.1315 PRESSURE: 4286600 -220.686 107.088 -135.387 107.088 13.2223 -122.835 -135.388 -122.835 59.4799 GPRESSURE: 4286600 -179.785 81.2595 -62.9981 127.56 30.1587 -47.9991 -283.396 -84.2178 98.1421 PRESSAVG: 4286600 -51.6393 40.6275 -4.91508 40.6276 -34.8092 4.48074 -4.91503 4.48063 120.783 GPRESSAVG: 4286600 -50.7887 40.0835 -7.11686 41.8084 -34.9992 5.08028 -3.64654 5.56559 119.529 TIMING: 4286600 CPU: 12873.5, 0.00305515/step Wall: 12873.5, 0.00305515/step, 0.605429 hours remaining, 208.332031 MB of memory in use. ENERGY: 4286600 796.2398 2090.2520 1933.2115 113.1115 -205608.9672 17694.5746 0.0000 0.0000 34400.6369 -148580.9410 300.4293 -182981.5779 -148485.7195 301.4698 -49.3278 -17.1613 558519.3834 11.4449 11.2471 PRESSURE: 4286800 -127.652 114.088 10.954 114.087 -104.721 8.923 10.954 8.92478 -144.253 GPRESSURE: 4286800 -136.121 5.65893 33.6138 210.771 -134.789 -74.2009 22.7227 28.0305 -3.82614 PRESSAVG: 4286800 -22.2339 -2.35747 -30.8279 -2.35749 -37.569 29.688 -30.8279 29.688 29.5162 GPRESSAVG: 4286800 -22.3251 -1.67647 -30.2933 -3.81596 -37.6929 27.7202 -31.9813 30.3056 29.6405 TIMING: 4286800 CPU: 12874.1, 0.00303502/step Wall: 12874.1, 0.00303502/step, 0.601271 hours remaining, 208.332031 MB of memory in use. ENERGY: 4286800 748.2673 2112.8403 1931.7963 121.4573 -205468.2064 17579.5910 0.0000 0.0000 34301.1890 -148673.0652 299.5608 -182974.2543 -148579.8437 300.7060 -125.5422 -91.5788 559757.4427 -10.0956 -10.1258 PRESSURE: 4287000 13.8329 71.7502 -17.486 71.7499 -153.914 -40.4662 -17.4853 -40.4665 -35.2812 GPRESSURE: 4287000 81.0291 42.6039 -11.1204 89.4452 -166.783 -76.9648 -29.8458 -18.2571 5.20827 PRESSAVG: 4287000 -10.1824 -31.4814 20.0692 -31.4813 3.36259 -14.7723 20.0692 -14.7723 2.05535 GPRESSAVG: 4287000 -10.7832 -30.4381 20.4316 -29.5728 3.53984 -13.9131 17.8624 -15.9689 2.2122 TIMING: 4287000 CPU: 12874.7, 0.00302508/step Wall: 12874.7, 0.00302508/step, 0.599133 hours remaining, 208.332031 MB of memory in use. ENERGY: 4287000 743.4443 2079.3344 1965.9830 122.8232 -205969.7618 17712.7442 0.0000 0.0000 34478.7068 -148866.7261 301.1111 -183345.4328 -148765.1187 300.1547 -58.4543 -26.8485 558313.3106 -1.5881 -1.6770 PRESSURE: 4287200 -102.743 -139.113 -52.0021 -139.112 24.8706 -54.4558 -52.0028 -54.4567 -37.1285 GPRESSURE: 4287200 -82.6772 -120.146 34.529 -170.009 40.3489 -66.5602 -56.5873 -82.5949 26.9451 PRESSAVG: 4287200 -9.39274 -27.1314 18.9552 -27.1315 -1.49474 -14.4224 18.9552 -14.4223 -30.1758 GPRESSAVG: 4287200 -8.87296 -27.1776 19.3112 -27.0804 -0.450653 -13.0926 19.8782 -13.9774 -31.2443 TIMING: 4287200 CPU: 12875.3, 0.00302985/step Wall: 12875.3, 0.00302985/step, 0.59991 hours remaining, 208.332031 MB of memory in use. ENERGY: 4287200 750.5194 2121.7271 1954.1341 106.0019 -205851.7935 17638.4953 0.0000 0.0000 34453.6089 -148827.3067 300.8919 -183280.9157 -148733.4376 300.4960 -38.3337 -5.1277 558629.4583 -13.6878 -13.5226 PRESSURE: 4287400 -199.745 178.359 -60.4218 178.36 329.711 53.5673 -60.4217 53.5682 15.2204 GPRESSURE: 4287400 -186.979 43.601 -82.7491 214.652 372.831 -64.8911 -16.627 82.1696 51.8289 PRESSAVG: 4287400 -37.558 1.31628 -25.3242 1.31618 68.8358 24.4367 -25.3242 24.4367 -22.9724 GPRESSAVG: 4287400 -36.9073 -0.576894 -27.6207 0.759696 68.3488 23.1217 -24.1283 24.0037 -23.1808 TIMING: 4287400 CPU: 12875.9, 0.00305962/step Wall: 12875.9, 0.00305962/step, 0.605635 hours remaining, 208.332031 MB of memory in use. ENERGY: 4287400 759.9181 2047.3351 1970.8218 105.1812 -206071.3115 17862.4966 0.0000 0.0000 34358.6675 -148966.8911 300.0628 -183325.5586 -148872.9271 300.5073 48.3955 79.2269 556671.9764 2.7685 2.7536 PRESSURE: 4287600 31.5267 -47.3734 -11.1931 -47.3727 -42.4655 -128.021 -11.1939 -128.021 -103.146 GPRESSURE: 4287600 13.0134 -96.6744 23.1793 -7.95152 70.4421 -113.528 -28.715 -124.534 -96.0961 PRESSAVG: 4287600 -11.8171 -33.2533 13.6938 -33.2533 10.2076 -48.8612 13.6938 -48.8612 -17.0817 GPRESSAVG: 4287600 -11.5725 -32.6594 14.707 -33.0071 10.421 -47.091 11.5704 -49.3405 -17.3149 TIMING: 4287600 CPU: 12876.5, 0.00307277/step Wall: 12876.5, 0.00307277/step, 0.608066 hours remaining, 208.332031 MB of memory in use. ENERGY: 4287600 726.6862 2135.7948 1961.6468 122.2092 -205996.7642 17697.9535 0.0000 0.0000 34288.7064 -149063.7672 299.4518 -183352.4737 -148969.0914 299.5758 -38.0283 -4.2135 558480.4470 -6.2304 -6.1555 PRESSURE: 4287800 75.4222 -42.1242 41.9209 -42.1239 -106.127 57.5192 41.9215 57.5189 -59.7982 GPRESSURE: 4287800 75.4547 -32.9331 161.137 6.13074 -90.8806 58.4485 -25.3248 35.3627 19.6314 PRESSAVG: 4287800 18.1498 -39.688 32.6583 -39.688 -8.76947 7.95588 32.6582 7.95585 -12.0975 GPRESSAVG: 4287800 17.8808 -41.0214 33.4019 -40.2563 -9.82298 7.64909 34.842 6.1199 -10.9628 TIMING: 4287800 CPU: 12877.1, 0.00308308/step Wall: 12877.1, 0.00308308/step, 0.609935 hours remaining, 208.332031 MB of memory in use. ENERGY: 4287800 747.3386 2097.5559 1950.4185 116.9816 -205969.6887 17691.1317 0.0000 0.0000 34482.6498 -148883.6126 301.1456 -183366.2624 -148784.1992 299.5215 -30.1678 1.4018 558654.7888 -0.9057 -0.9683 PRESSURE: 4288000 -147.149 -157.636 107.24 -157.637 -128.762 -86.1864 107.24 -86.1859 187.537 GPRESSURE: 4288000 -101.062 -197.739 7.44858 -119.262 -125.524 -34.1082 176.731 -145.699 225.175 PRESSAVG: 4288000 -21.0601 15.9693 -51.2969 15.9694 -56.679 33.2939 -51.297 33.2938 68.1039 GPRESSAVG: 4288000 -22.1253 17.0894 -53.1204 14.8834 -55.8255 32.4257 -52.622 35.0889 68.6439 TIMING: 4288000 CPU: 12877.8, 0.0030662/step Wall: 12877.8, 0.0030662/step, 0.606426 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: 4288000 742.0919 2066.2015 1943.2228 131.7706 -205868.3856 17716.6735 0.0000 0.0000 34288.8846 -148979.5407 299.4534 -183268.4253 -148889.1347 299.7312 -29.4577 -0.4702 557976.3592 -3.2117 -3.1023 PRESSURE: 4288200 -143.424 62.5497 -58.0472 62.5507 224.681 51.1792 -58.0471 51.1777 164.564 GPRESSURE: 4288200 -118.242 36.8077 -191.689 43.4638 287.276 121.734 -50.2733 7.79469 174.685 PRESSAVG: 4288200 -32.3459 0.593454 -44.683 0.593443 -3.45418 28.3185 -44.683 28.3185 1.73435 GPRESSAVG: 4288200 -32.2511 0.609601 -42.9044 1.89879 -3.49222 29.1115 -44.3503 27.1835 1.52547 TIMING: 4288200 CPU: 12878.4, 0.00307469/step Wall: 12878.4, 0.00307469/step, 0.607934 hours remaining, 208.332031 MB of memory in use. ENERGY: 4288200 726.1064 2049.7083 1942.9854 111.6198 -206156.6002 17846.7946 0.0000 0.0000 34409.6066 -149069.7791 300.5077 -183479.3858 -148972.9236 299.9919 81.9401 114.5731 556094.4952 -11.3552 -11.4060 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 4820 load 0.024893 is 21.1% of average load 0.118173 LDB: Average compute 0.001734 is 1.5% of average load 0.118173 LDB: TIME 12882.1 LOAD: AVG 0.118173 MAX 0.222963 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 12882.1 LOAD: AVG 0.118173 MAX 0.222963 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.793 MB LDB: TIME 12882.1 LOAD: AVG 0.118173 MAX 0.222963 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.793 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: 4288400 73.9969 -281.796 16.3019 -281.796 139.261 -107.727 16.301 -107.727 29.4888 GPRESSURE: 4288400 93.1209 -295.352 -8.50236 -258.197 132.283 -65.9042 -3.49332 -83.2347 116.616 PRESSAVG: 4288400 -60.3394 48.0742 -22.4495 48.0742 37.5789 38.5045 -22.4495 38.5046 39.0024 GPRESSAVG: 4288400 -60.3572 50.5426 -23.4291 44.0655 37.2527 38.3217 -22.0957 38.9127 39.4005 TIMING: 4288400 CPU: 12879, 0.00314849/step Wall: 12879, 0.00314849/step, 0.622351 hours remaining, 208.359375 MB of memory in use. ENERGY: 4288400 713.7699 2114.0772 1973.0109 109.3059 -206145.9096 17693.3898 0.0000 0.0000 34326.3942 -149215.9617 299.7809 -183542.3559 -149120.3481 299.3723 80.9156 114.0067 556504.3918 5.4140 5.4320 PRESSURE: 4288600 72.9904 -42.9735 180.136 -42.9732 -263.207 91.7844 180.136 91.7834 -183.592 GPRESSURE: 4288600 64.7915 -61.075 148.137 -5.94327 -173.883 84.3816 217.07 142.37 -168.332 PRESSAVG: 4288600 -25.9619 -5.30778 3.47992 -5.30775 -32.6578 10.2233 3.48002 10.2234 31.5929 GPRESSAVG: 4288600 -24.9275 -7.2144 3.86534 -2.94384 -31.3078 9.76326 3.75309 12.0763 29.3015 TIMING: 4288600 CPU: 12879.6, 0.00306343/step Wall: 12879.6, 0.00306343/step, 0.605367 hours remaining, 208.359375 MB of memory in use. ENERGY: 4288600 714.6193 2078.4895 1929.5133 105.1426 -206108.1850 17676.5858 0.0000 0.0000 34321.0428 -149282.7918 299.7342 -183603.8346 -149187.5793 299.5476 -124.6029 -92.4744 558124.7867 -9.0089 -8.9779 PRESSURE: 4288800 -12.2058 67.4203 67.7122 67.4206 25.8664 37.046 67.7124 37.0452 259.015 GPRESSURE: 4288800 6.44453 22.7722 8.19226 89.1294 95.7331 23.5882 63.6425 57.9299 267.197 PRESSAVG: 4288800 -62.2544 -1.30766 27.3731 -1.30769 49.7166 -0.290067 27.3731 -0.29007 2.56999 GPRESSAVG: 4288800 -63.7038 -0.612318 27.4664 -2.59093 49.6751 -0.867989 25.7184 -0.178609 4.4219 TIMING: 4288800 CPU: 12880.2, 0.00308938/step Wall: 12880.2, 0.00308938/step, 0.610324 hours remaining, 208.359375 MB of memory in use. ENERGY: 4288800 758.7289 2126.4202 1940.0942 110.3744 -206111.8314 17785.3833 0.0000 0.0000 34091.9533 -149298.8770 297.7335 -183390.8303 -149210.3564 299.6755 90.8919 123.1250 556403.0708 -3.3226 -3.2023 PRESSURE: 4289000 -168.302 80.2743 22.4976 80.2741 86.9795 -45.6638 22.4976 -45.6649 215.354 GPRESSURE: 4289000 -68.1993 107.225 17.6833 75.8531 90.5935 -74.8037 -2.50823 -66.0534 196.02 PRESSAVG: 4289000 -18.7891 -9.76784 52.7638 -9.76781 -45.3012 -0.213498 52.7638 -0.213508 93.8951 GPRESSAVG: 4289000 -19.4681 -9.92674 54.5686 -9.03112 -45.7862 -1.07006 52.2982 -0.66466 94.3645 TIMING: 4289000 CPU: 12880.8, 0.00305024/step Wall: 12880.8, 0.00305024/step, 0.602423 hours remaining, 208.359375 MB of memory in use. ENERGY: 4289000 715.9442 2116.6142 1935.5351 103.5323 -206188.2406 17733.1367 0.0000 0.0000 34143.1581 -149440.3201 298.1807 -183583.4782 -149344.9207 299.4336 44.6771 72.8047 556838.0826 9.9349 9.7034 PRESSURE: 4289200 -37.0574 -62.8881 113.002 -62.8888 -114.66 28.2133 113.001 28.2131 187.699 GPRESSURE: 4289200 58.4171 -112.085 153.535 -6.31887 -126.9 48.7641 35.2279 54.4816 205.548 PRESSAVG: 4289200 -6.38399 -8.00488 5.27306 -8.00494 -61.3351 10.976 5.27304 10.9762 38.4032 GPRESSAVG: 4289200 -5.80071 -8.58134 3.65908 -5.6755 -62.3708 12.523 8.09939 10.9356 39.3806 TIMING: 4289200 CPU: 12881.5, 0.00309585/step Wall: 12881.5, 0.00309585/step, 0.611258 hours remaining, 208.359375 MB of memory in use. ENERGY: 4289200 755.4987 2098.7936 1939.6025 113.7617 -206277.7002 18010.5463 0.0000 0.0000 33886.7878 -149472.7097 295.9417 -183359.4975 -149374.8077 297.6214 11.9938 45.6882 557266.2633 -9.7720 -9.5970 PRESSURE: 4289400 203.81 32.8107 11.5298 32.8112 62.7701 166.067 11.53 166.068 -114.853 GPRESSURE: 4289400 166.074 80.594 9.23535 20.5434 154.23 126.958 92.6428 240.445 -74.9495 PRESSAVG: 4289400 19.288 54.3689 29.1784 54.3688 -55.6269 26.6941 29.1784 26.6941 36.5677 GPRESSAVG: 4289400 18.9 53.7783 27.784 53.0993 -54.5548 26.8363 28.3169 24.6883 36.0826 TIMING: 4289400 CPU: 12882.1, 0.0030901/step Wall: 12882.1, 0.0030901/step, 0.609951 hours remaining, 208.359375 MB of memory in use. ENERGY: 4289400 743.9508 2133.2069 1944.4860 102.9633 -206413.3011 17847.4254 0.0000 0.0000 34252.4125 -149388.8562 299.1348 -183641.2687 -149291.3956 297.9489 50.5759 81.7850 557795.0829 0.0763 0.1426 PRESSURE: 4289600 29.0229 159.947 -159.817 159.947 -176.499 80.0774 -159.817 80.0764 -12.2541 GPRESSURE: 4289600 178.939 196.48 -136.127 142.879 -155.832 10.7549 -106.921 40.5878 -85.862 PRESSAVG: 4289600 19.7003 22.9734 12.5315 22.9734 33.9695 -36.4638 12.5316 -36.4639 -52.6918 GPRESSAVG: 4289600 20.6909 25.0318 15.2075 22.0515 34.1537 -37.9424 12.0574 -33.6662 -53.5647 TIMING: 4289600 CPU: 12882.7, 0.0030855/step Wall: 12882.7, 0.0030855/step, 0.608872 hours remaining, 208.425781 MB of memory in use. ENERGY: 4289600 707.9056 2148.3569 1945.1869 125.5526 -206147.0028 17780.7175 0.0000 0.0000 34203.4638 -149235.8195 298.7074 -183439.2833 -149138.5059 297.9845 -53.2434 -20.9181 557715.0252 0.3260 0.4266 PRESSURE: 4289800 -254.403 17.7815 -68.228 17.7814 -67.4652 -3.59963 -68.2278 -3.59842 -24.5826 GPRESSURE: 4289800 -218.664 -60.6127 -65.7552 140.28 -34.6378 -4.59414 -36.2347 32.0393 6.87126 PRESSAVG: 4289800 62.2433 48.3547 35.9462 48.3548 -49.0187 15.2028 35.9462 15.2028 0.967031 GPRESSAVG: 4289800 62.2794 47.2133 35.6952 50.6138 -50.8539 17.1193 36.351 14.4777 2.05469 TIMING: 4289800 CPU: 12883.3, 0.00305773/step Wall: 12883.3, 0.00305773/step, 0.603222 hours remaining, 208.425781 MB of memory in use. ENERGY: 4289800 783.7041 2111.1907 1923.9028 121.9169 -206242.8300 17748.8622 0.0000 0.0000 34314.7381 -149238.5151 299.6791 -183553.2532 -149141.4150 299.3761 -115.4835 -82.1436 557654.7236 4.7306 4.4934 PRESSURE: 4290000 88.146 206.6 26.5566 206.6 -18.2948 -39.3992 26.557 -39.4001 -67.5359 GPRESSURE: 4290000 90.0979 171.864 33.1675 220.733 32.7909 -36.1875 34.1264 6.45419 -13.8632 PRESSAVG: 4290000 7.00671 37.5342 -8.97859 37.5342 40.1958 23.2265 -8.97857 23.2264 -39.2669 GPRESSAVG: 4290000 4.70563 36.2375 -7.85455 36.8948 41.5922 23.7527 -9.65499 21.9785 -38.7288 TIMING: 4290000 CPU: 12883.9, 0.0030446/step Wall: 12883.9, 0.0030446/step, 0.600462 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: 4290000 747.1126 2102.0379 1924.9212 110.6725 -206253.6999 17886.7334 0.0000 0.0000 34213.1092 -149269.1131 298.7916 -183482.2222 -149173.1109 298.9305 0.7717 36.3419 557678.3826 2.6452 2.5230 PRESSURE: 4290200 47.4874 -0.770013 -5.68582 -0.770075 72.6045 65.518 -5.68446 65.5191 83.9506 GPRESSURE: 4290200 63.0187 27.9184 37.7645 55.0661 128.76 26.7291 -162.996 127.775 108.244 PRESSAVG: 4290200 -53.746 10.7287 29.1557 10.7286 63.0874 15.3031 29.1558 15.3032 29.2038 GPRESSAVG: 4290200 -51.8255 12.2867 28.0953 9.7995 62.8431 15.0333 28.7135 15.3869 27.7215 TIMING: 4290200 CPU: 12884.5, 0.00305339/step Wall: 12884.5, 0.00305339/step, 0.602026 hours remaining, 208.425781 MB of memory in use. ENERGY: 4290200 719.4249 2104.2777 1968.1002 108.7745 -206045.0014 17888.1427 0.0000 0.0000 34184.2261 -149072.0553 298.5393 -183256.2814 -148974.9245 298.8794 68.0141 100.0075 558176.1534 12.8484 12.9130 PRESSURE: 4290400 3.27562 -20.0552 39.3855 -20.056 87.6572 -48.4989 39.3843 -48.4982 220.437 GPRESSURE: 4290400 64.3759 -149.135 98.2278 106.883 151.093 -138.904 -72.0283 -3.99328 198.372 PRESSAVG: 4290400 25.6001 10.441 -28.156 10.441 33.6063 0.479842 -28.156 0.479779 -30.0872 GPRESSAVG: 4290400 25.3737 9.29629 -29.5573 10.1749 33.4128 -0.33549 -25.9721 2.20521 -29.542 TIMING: 4290400 CPU: 12885.1, 0.00305771/step Wall: 12885.1, 0.00305771/step, 0.602709 hours remaining, 208.425781 MB of memory in use. ENERGY: 4290400 706.0024 2029.6308 1951.9436 99.6478 -206398.9270 18020.5286 0.0000 0.0000 34463.2053 -149127.9685 300.9757 -183591.1739 -149030.8547 299.9996 103.7900 137.9470 557754.0040 9.7064 9.7482 PRESSURE: 4290600 -9.2418 22.391 44.387 22.3915 -148.159 -101.389 44.3872 -101.387 -43.6929 GPRESSURE: 4290600 65.4135 -98.8647 65.1407 40.1016 -105.382 -96.6772 -7.69264 -55.6427 -54.7095 PRESSAVG: 4290600 4.37052 92.7586 -7.44703 92.7586 -56.19 -16.0662 -7.44712 -16.0662 8.35255 GPRESSAVG: 4290600 4.44707 93.1509 -6.96988 93.1775 -56.7012 -15.7349 -8.9141 -15.3402 9.00191 TIMING: 4290600 CPU: 12885.7, 0.00302707/step Wall: 12885.7, 0.00302707/step, 0.5965 hours remaining, 208.425781 MB of memory in use. ENERGY: 4290600 753.6572 2069.7787 1928.0802 109.0685 -206194.9980 17844.8977 0.0000 0.0000 34349.6284 -149139.8872 299.9838 -183489.5156 -149039.6256 299.2102 -67.0313 -31.5595 558027.9078 -14.4890 -14.4174 PRESSURE: 4290800 2.30388 19.1509 -190.045 19.151 244.203 -8.32285 -190.045 -8.32265 262.871 GPRESSURE: 4290800 92.421 66.1911 -206.132 -26.6786 256.029 -11.2631 -119.077 -18.168 245.338 PRESSAVG: 4290800 -10.3304 31.2401 -79.6506 31.2401 0.916639 -19.8966 -79.6505 -19.8966 23.7179 GPRESSAVG: 4290800 -10.4001 30.753 -81.342 30.2823 1.33727 -20.2018 -79.2137 -20.5138 23.1391 TIMING: 4290800 CPU: 12886.4, 0.00305761/step Wall: 12886.4, 0.00305761/step, 0.602349 hours remaining, 208.425781 MB of memory in use. ENERGY: 4290800 714.4251 2112.8241 1926.0156 95.0907 -206158.9236 17858.0147 0.0000 0.0000 34337.1635 -149115.3900 299.8750 -183452.5534 -149017.9861 299.2730 169.7925 197.9292 556638.2442 4.7681 4.6921 PRESSURE: 4291000 -98.4002 26.6547 -117.371 26.6549 -344.284 67.3272 -117.369 67.3267 -98.7493 GPRESSURE: 4291000 -37.4298 21.1521 -148.611 51.6549 -266.247 130.666 -65.0798 56.6902 -146.509 PRESSAVG: 4291000 -14.9894 30.7169 -15.1866 30.7169 53.6913 6.02476 -15.1866 6.0248 -35.3154 GPRESSAVG: 4291000 -15.1113 31.4463 -13.3547 30.1237 54.0659 6.20467 -14.0528 4.39585 -35.7939 TIMING: 4291000 CPU: 12887, 0.003062/step Wall: 12887, 0.003062/step, 0.603044 hours remaining, 208.425781 MB of memory in use. ENERGY: 4291000 765.6440 2083.0029 1948.9357 112.0376 -205828.0946 17560.0099 0.0000 0.0000 34235.1887 -149123.2758 298.9844 -183358.4646 -149031.7334 299.4024 -180.4777 -150.0618 557629.7548 1.1288 1.0536 PRESSURE: 4291200 27.7302 -16.7279 256.275 -16.7275 -62.2018 79.7286 256.274 79.7285 347.611 GPRESSURE: 4291200 52.7549 -54.9785 144.695 51.9243 2.75225 172.298 247.908 -8.94209 353.981 PRESSAVG: 4291200 33.7377 -22.6775 11.916 -22.6775 16.4568 11.928 11.9159 11.928 -77.9896 GPRESSAVG: 4291200 32.8504 -22.9917 10.4107 -23.798 15.5967 10.9875 12.5025 13.9678 -76.768 TIMING: 4291200 CPU: 12887.6, 0.00306567/step Wall: 12887.6, 0.00306567/step, 0.603597 hours remaining, 208.425781 MB of memory in use. ENERGY: 4291200 741.4146 2078.7371 1960.1038 118.2250 -205997.1466 17814.3813 0.0000 0.0000 34226.6680 -149057.6169 298.9100 -183284.2849 -148960.9850 299.4139 104.3797 136.4962 556988.3959 -9.2650 -9.4403 PRESSURE: 4291400 -17.4223 -105.745 -121.432 -105.744 -173.37 50.84 -121.432 50.8385 145.409 GPRESSURE: 4291400 80.3793 -43.8035 -77.2767 -80.2314 -136.088 26.6125 -139.191 31.1776 116.746 PRESSAVG: 4291400 46.7797 -34.2806 -6.07091 -34.2806 -33.8978 -21.2612 -6.07095 -21.2612 0.289106 GPRESSAVG: 4291400 48.4097 -34.3139 -4.92408 -31.7896 -33.1467 -22.8098 -8.53436 -22.106 -1.65076 TIMING: 4291400 CPU: 12888.2, 0.00306578/step Wall: 12888.2, 0.00306578/step, 0.603447 hours remaining, 208.425781 MB of memory in use. ENERGY: 4291400 762.5001 2034.8881 1943.8880 114.5042 -206106.0141 17860.7542 0.0000 0.0000 34262.5206 -149126.9590 299.2231 -183389.4795 -149025.2774 299.3658 -15.1278 20.3457 558631.9694 4.3903 4.5374 PRESSURE: 4291600 -221.385 48.8138 -102.961 48.8137 -354.101 -58.2785 -102.96 -58.2785 20.2164 GPRESSURE: 4291600 -190.051 65.9785 -88.5787 7.61036 -323.812 -89.6603 -168.824 -2.25406 39.2019 PRESSAVG: 4291600 18.2073 -17.4987 42.9553 -17.4987 18.1823 -22.3742 42.9553 -22.3743 -1.10447 GPRESSAVG: 4291600 17.1853 -17.592 43.3561 -18.9239 18.6713 -18.7995 44.0272 -23.3889 -0.482146 TIMING: 4291600 CPU: 12888.8, 0.0030616/step Wall: 12888.8, 0.0030616/step, 0.602455 hours remaining, 208.425781 MB of memory in use. ENERGY: 4291600 762.4874 2118.7460 1946.7144 106.0623 -205742.9427 17483.0953 0.0000 0.0000 34228.8502 -149096.9872 298.9291 -183325.8374 -149000.5678 299.3771 -185.0899 -158.2203 558509.5714 11.7617 11.7915 PRESSURE: 4291800 9.57515 6.19354 259.74 6.19289 -84.2073 85.2562 259.74 85.2584 1.52051 GPRESSURE: 4291800 -8.04278 1.17114 242.337 0.263043 -38.0369 15.7497 257.301 96.1951 61.2453 PRESSAVG: 4291800 -3.20824 2.1202 43.6063 2.12024 48.4038 4.5824 43.6063 4.58244 -43.2166 GPRESSAVG: 4291800 -3.20531 1.5034 44.3756 2.96226 46.5104 2.59073 42.1052 4.5611 -42.09 TIMING: 4291800 CPU: 12889.4, 0.00305379/step Wall: 12889.4, 0.00305379/step, 0.600748 hours remaining, 208.425781 MB of memory in use. ENERGY: 4291800 756.9584 2053.3509 1930.9353 116.0686 -206000.3084 17721.4088 0.0000 0.0000 34373.3674 -149048.2192 300.1912 -183421.5865 -148942.6537 298.9457 -24.3705 5.0552 558300.7521 0.6596 0.4050 PRESSURE: 4292000 52.021 64.3902 -4.81273 64.391 141.456 159.724 -4.81319 159.724 -29.3911 GPRESSURE: 4292000 130.665 132.204 -11.2799 63.6862 139.661 201.237 23.9643 68.934 -6.27673 PRESSAVG: 4292000 65.3436 -62.3964 24.2563 -62.3964 20.8047 -54.024 24.2563 -54.0241 -62.7506 GPRESSAVG: 4292000 65.4158 -60.3932 23.8812 -60.8464 20.9022 -54.1214 25.574 -53.8855 -63.2476 TIMING: 4292000 CPU: 12890, 0.00309497/step Wall: 12890, 0.00309497/step, 0.608678 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: 4292000 728.6708 2094.5043 1924.6859 128.8150 -206003.1800 17875.9549 0.0000 0.0000 34131.2441 -149119.3051 298.0766 -183250.5491 -149021.3942 299.5044 54.6954 88.0165 557451.2881 7.7992 7.6902 PRESSURE: 4292200 -60.493 -151.412 120.5 -151.412 205.937 141.864 120.5 141.864 -16.0288 GPRESSURE: 4292200 -2.85379 -137.556 107.963 -106.637 198.615 87.8925 86.6167 199.09 30.7059 PRESSAVG: 4292200 -20.7786 -0.60768 -4.28035 -0.607658 36.3965 -9.69369 -4.28027 -9.69364 9.30485 GPRESSAVG: 4292200 -20.6192 -0.701286 -4.15214 -3.24686 36.915 -10.5228 -3.14969 -7.81139 8.83126 TIMING: 4292200 CPU: 12890.7, 0.00310306/step Wall: 12890.7, 0.00310306/step, 0.610096 hours remaining, 208.425781 MB of memory in use. ENERGY: 4292200 744.3737 2079.7047 1944.4777 119.7529 -206193.4217 18053.8958 0.0000 0.0000 34308.0843 -148943.1326 299.6210 -183251.2169 -148847.7650 299.1444 43.1383 75.4891 559441.6684 8.3076 8.3757 LDB: ============= START OF LOAD BALANCING ============== 12894.1 LDB: ============== END OF LOAD BALANCING =============== 12894.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12894.1 LDB: ============= START OF LOAD BALANCING ============== 12894.4 LDB: Largest compute 4820 load 0.024218 is 20.5% of average load 0.118077 LDB: Average compute 0.001740 is 1.5% of average load 0.118077 LDB: TIME 12894.4 LOAD: AVG 0.118077 MAX 0.218328 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.559 MB LDB: TIME 12894.4 LOAD: AVG 0.118077 MAX 0.218328 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.559 MB LDB: TIME 12894.4 LOAD: AVG 0.118077 MAX 0.218328 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12894.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12894.4 PRESSURE: 4292400 241.504 57.082 78.7354 57.0824 326.814 85.7931 78.7338 85.7936 287.86 GPRESSURE: 4292400 227.467 116.071 56.1819 36.0015 371.276 85.5755 30.2246 46.034 341.101 PRESSAVG: 4292400 -52.9972 -51.7583 29.597 -51.7583 95.396 -21.4776 29.597 -21.4776 -118.338 GPRESSAVG: 4292400 -53.7816 -51.9869 30.6412 -51.8058 96.1269 -19.7424 28.613 -22.9151 -118.425 TIMING: 4292400 CPU: 12891.3, 0.00313548/step Wall: 12891.3, 0.00313548/step, 0.616296 hours remaining, 207.078125 MB of memory in use. ENERGY: 4292400 724.0540 2101.1708 1937.0387 120.0143 -206738.2972 18262.4640 0.0000 0.0000 34598.4119 -148995.1436 302.1565 -183593.5554 -148899.1236 299.5231 285.3925 313.2813 556996.8363 -25.3130 -25.3600 PRESSURE: 4292600 -36.8889 -45.6634 -67.9171 -45.6638 -226.488 59.0403 -67.917 59.0397 -276.645 GPRESSURE: 4292600 -68.9241 -143.976 -79.0817 -30.0393 -114.946 72.2725 -57.313 46.0288 -253.084 PRESSAVG: 4292600 -7.04017 -38.9707 11.6312 -38.9706 1.74755 52.9276 11.6312 52.9276 -5.27521 GPRESSAVG: 4292600 -6.82635 -40.4013 9.01478 -38.3623 1.97009 53.4125 12.9171 52.6708 -5.43847 TIMING: 4292600 CPU: 12891.9, 0.00306495/step Wall: 12891.9, 0.00306495/step, 0.602264 hours remaining, 207.335938 MB of memory in use. ENERGY: 4292600 761.4851 2109.1108 1949.7944 128.5511 -206120.7193 17630.1206 0.0000 0.0000 34473.6117 -149068.0456 301.0666 -183541.6573 -148970.2144 299.9809 -180.0073 -145.6517 557940.4052 -3.5226 -3.4316 PRESSURE: 4292800 217.777 -66.6803 28.7818 -66.6802 124.035 73.1018 28.7809 73.1013 -34.9012 GPRESSURE: 4292800 244.354 -28.5522 23.9731 -46.815 136.289 98.0198 -11.5779 61.7209 15.3282 PRESSAVG: 4292800 -3.15165 -9.10925 -6.5776 -9.10926 59.3387 -36.9093 -6.57765 -36.9094 -17.9884 GPRESSAVG: 4292800 -3.57871 -9.59624 -4.72174 -7.20568 58.1828 -38.0345 -6.67812 -35.7618 -16.5998 TIMING: 4292800 CPU: 12892.5, 0.00307031/step Wall: 12892.5, 0.00307031/step, 0.603145 hours remaining, 207.335938 MB of memory in use. ENERGY: 4292800 724.7403 2143.9971 1914.9966 124.0726 -206451.0816 18007.9610 0.0000 0.0000 34299.1351 -149236.1788 299.5429 -183535.3140 -149140.7562 298.9702 102.3036 131.9904 558210.6602 12.7329 12.6681 PRESSURE: 4293000 -13.6254 -47.8626 -56.4264 -47.8617 -137.223 52.5113 -56.4251 52.5125 -71.8256 GPRESSURE: 4293000 36.8748 -25.8953 -121.33 -32.0502 -133.019 80.9802 155.128 79.7709 -16.1933 PRESSAVG: 4293000 61.1862 5.51291 -12.5227 5.51293 39.7847 28.6531 -12.5227 28.6531 -86.3442 GPRESSAVG: 4293000 63.048 5.29575 -12.176 4.78832 40.2442 28.3968 -12.7174 30.0554 -88.4668 TIMING: 4293000 CPU: 12893.1, 0.00306653/step Wall: 12893.1, 0.00306653/step, 0.602232 hours remaining, 207.335938 MB of memory in use. ENERGY: 4293000 731.7090 2103.0926 1932.4951 117.5396 -206023.3269 17709.2422 0.0000 0.0000 34101.5177 -149327.7307 297.8170 -183429.2485 -149233.2116 298.8161 -74.2246 -37.4459 557576.9232 4.8756 4.9418 PRESSURE: 4293200 -143.4 65.0887 -12.7986 65.0883 125.469 -181.836 -12.7981 -181.838 -185.75 GPRESSURE: 4293200 -79.5584 64.322 0.0684748 81.4558 150.057 -225.228 -47.1252 -212.231 -174.726 PRESSAVG: 4293200 23.3155 0.351996 -42.1579 0.352052 2.52191 -11.361 -42.1579 -11.361 -11.7666 GPRESSAVG: 4293200 21.9494 0.51204 -44.5127 -0.414676 2.60878 -10.375 -41.5955 -13.7187 -10.4295 TIMING: 4293200 CPU: 12893.7, 0.00307091/step Wall: 12893.7, 0.00307091/step, 0.602922 hours remaining, 207.335938 MB of memory in use. ENERGY: 4293200 725.3952 2080.0491 1948.5380 101.3984 -206391.0616 17882.7870 0.0000 0.0000 34364.8040 -149288.0899 300.1164 -183652.8939 -149180.1024 299.7116 -67.8937 -34.7425 558416.4996 4.6903 4.7095 PRESSURE: 4293400 10.9879 -24.0149 -49.6732 -24.0153 -38.4609 -251.424 -49.6732 -251.424 -106.253 GPRESSURE: 4293400 48.7621 -81.741 64.8541 -71.3941 0.131494 -305.014 -108.709 -210.924 -81.1016 PRESSAVG: 4293400 -2.07991 -29.8068 -0.604165 -29.8068 44.5564 8.07796 -0.604186 8.07785 -36.3792 GPRESSAVG: 4293400 0.0650767 -29.2177 1.30723 -30.0317 43.7591 7.35921 -0.917799 9.20807 -36.9458 TIMING: 4293400 CPU: 12894.4, 0.00307727/step Wall: 12894.4, 0.00307727/step, 0.604001 hours remaining, 207.335938 MB of memory in use. ENERGY: 4293400 726.3944 2066.9442 1943.3327 106.3995 -206047.1454 17762.2401 0.0000 0.0000 34113.3863 -149328.4482 297.9207 -183441.8346 -149231.3449 298.6890 -44.5752 -10.7360 557896.9434 2.0324 2.2928 PRESSURE: 4293600 210.394 -113.033 -56.8564 -113.033 55.6005 102.294 -56.8575 102.295 167.942 GPRESSURE: 4293600 226.359 -137.276 -131.127 -103.655 65.861 28.7273 -1.03992 138.384 234.435 PRESSAVG: 4293600 3.54562 -9.08026 0.497744 -9.08023 34.1055 -8.34334 0.497812 -8.34335 4.46699 GPRESSAVG: 4293600 2.05761 -6.63671 -0.417511 -11.1705 34.8308 -7.38424 1.28089 -11.3696 5.14326 TIMING: 4293600 CPU: 12895, 0.00306006/step Wall: 12895, 0.00306006/step, 0.600452 hours remaining, 207.390625 MB of memory in use. ENERGY: 4293600 702.6169 2071.6363 1952.8452 112.7655 -206450.8470 17877.0668 0.0000 0.0000 34288.8603 -149445.0560 299.4531 -183733.9164 -149352.5801 298.9264 144.6456 175.5518 557023.5980 14.0394 14.0105 PRESSURE: 4293800 66.1131 95.8592 41.3843 95.86 40.0057 -203.901 41.3841 -203.901 -32.5338 GPRESSURE: 4293800 97.7924 117.729 94.9759 64.0638 48.431 -225.484 64.8505 -103.494 27.903 PRESSAVG: 4293800 -1.66142 -66.1821 22.7961 -66.1821 17.8813 4.32936 22.7962 4.32935 -60.7672 GPRESSAVG: 4293800 -2.3383 -68.4581 22.698 -66.7845 17.2118 3.29466 22.7901 7.11134 -59.6851 TIMING: 4293800 CPU: 12895.6, 0.00308737/step Wall: 12895.6, 0.00308737/step, 0.605639 hours remaining, 207.390625 MB of memory in use. ENERGY: 4293800 750.2499 2034.3375 1926.4340 103.2073 -206647.7930 18027.4423 0.0000 0.0000 34221.8102 -149584.3118 298.8676 -183806.1220 -149488.5320 298.6840 24.5284 58.0422 557649.7749 -14.8491 -14.9372 PRESSURE: 4294000 76.7828 180.22 28.7946 180.221 -130.911 123.655 28.7948 123.655 42.9169 GPRESSURE: 4294000 87.6499 160.184 -0.667961 155.487 -49.875 25.821 37.398 183.509 38.0577 PRESSAVG: 4294000 -10.8986 -8.00715 4.5271 -8.00717 -2.27612 -42.8203 4.52707 -42.8204 -51.9165 GPRESSAVG: 4294000 -10.4447 -7.37113 4.53087 -5.44015 -0.685449 -42.1526 3.23021 -42.6564 -53.2228 TIMING: 4294000 CPU: 12896.2, 0.00308205/step Wall: 12896.2, 0.00308205/step, 0.604424 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: 4294000 725.4191 2062.1715 1953.2301 100.9311 -206559.7096 17890.5411 0.0000 0.0000 34432.2424 -149395.1742 300.7053 -183827.4166 -149303.6946 298.9114 -3.7369 25.2775 557503.6223 -21.6971 -21.4510 PRESSURE: 4294200 65.7968 104.824 -38.4924 104.825 -31.7464 -240.122 -38.4916 -240.123 -144.891 GPRESSURE: 4294200 120.227 159.503 50.7327 104.083 -12.1359 -188.627 -133.61 -277.655 -106.224 PRESSAVG: 4294200 65.7021 13.8728 25.0113 13.8727 35.4073 -7.20715 25.0113 -7.20721 -86.7421 GPRESSAVG: 4294200 66.9159 13.3857 23.9276 14.3274 33.9297 -6.61154 25.4989 -8.2971 -86.6667 TIMING: 4294200 CPU: 12896.8, 0.00307518/step Wall: 12896.8, 0.00307518/step, 0.602907 hours remaining, 207.390625 MB of memory in use. ENERGY: 4294200 742.0125 2026.0018 1953.3321 112.7390 -206287.1584 17780.8880 0.0000 0.0000 34355.5156 -149316.6693 300.0353 -183672.1849 -149222.8058 299.2734 -36.9468 0.6223 558334.0555 4.7891 4.7263 PRESSURE: 4294400 -111.326 -8.1944 65.2691 -8.19349 -101.437 106.438 65.2697 106.436 -166.915 GPRESSURE: 4294400 -77.8426 -57.552 80.7712 51.9481 -83.4024 181.63 47.4572 153.575 -117.309 PRESSAVG: 4294400 -4.21233 42.1917 -0.811228 42.1918 -29.589 27.1497 -0.811186 27.1496 9.74727 GPRESSAVG: 4294400 -4.08468 40.6235 1.7515 43.3787 -29.3678 28.3268 -2.46876 27.4564 9.83617 TIMING: 4294400 CPU: 12897.4, 0.00308733/step Wall: 12897.4, 0.00308733/step, 0.605117 hours remaining, 207.390625 MB of memory in use. ENERGY: 4294400 735.6988 2070.7951 1949.2667 111.5519 -206240.2780 17769.9199 0.0000 0.0000 34264.2135 -149338.8321 299.2379 -183603.0456 -149244.9137 299.0199 -126.5591 -92.8514 558905.6665 -8.0180 -7.8721 PRESSURE: 4294600 194.046 40.1491 -36.2027 40.1491 -117.784 19.0587 -36.204 19.0584 14.9298 GPRESSURE: 4294600 131.466 61.8297 -134.534 -22.8559 2.88465 81.7673 -35.6321 -14.7274 62.0393 PRESSAVG: 4294600 39.1345 -29.6723 47.3642 -29.6723 -16.9156 19.5209 47.3641 19.5209 -22.7556 GPRESSAVG: 4294600 37.6683 -28.9871 46.6318 -31.1905 -15.8351 18.826 48.1607 18.7131 -22.5389 TIMING: 4294600 CPU: 12898, 0.00303072/step Wall: 12898, 0.00303072/step, 0.593853 hours remaining, 207.390625 MB of memory in use. ENERGY: 4294600 712.1976 2030.9826 1940.6761 118.3165 -205916.3421 17801.0888 0.0000 0.0000 34108.6307 -149204.4497 297.8792 -183313.0805 -149110.7785 299.1379 30.3973 65.4634 557416.6461 -0.1789 -0.2352 PRESSURE: 4294800 4.68341 -56.7635 -85.5829 -56.7645 -77.9137 26.8867 -85.5841 26.885 -165.147 GPRESSURE: 4294800 63.2067 0.869753 -31.6146 -101.851 -43.2251 30.8453 -95.0388 103.404 -164.791 PRESSAVG: 4294800 -29.7638 -70.1123 -68.1417 -70.1123 30.8259 -2.40914 -68.1416 -2.40915 -7.25521 GPRESSAVG: 4294800 -29.6155 -69.3309 -70.8646 -69.8327 31.553 -3.65373 -66.3085 -1.80218 -8.40941 TIMING: 4294800 CPU: 12898.6, 0.00304408/step Wall: 12898.6, 0.00304408/step, 0.596301 hours remaining, 207.390625 MB of memory in use. ENERGY: 4294800 765.9969 2077.0551 1906.9766 113.7042 -206288.1823 17841.5174 0.0000 0.0000 34143.8711 -149439.0610 298.1869 -183582.9321 -149346.2954 299.1183 -79.4592 -48.2698 557282.8920 -2.0644 -2.1573 PRESSURE: 4295000 41.6587 -19.4168 -3.7172 -19.4174 -242.148 -107.341 -3.7166 -107.34 -120.309 GPRESSURE: 4295000 71.8799 61.5858 -8.49404 -7.8025 -200.398 -80.6358 123.146 -118.38 -74.4627 PRESSAVG: 4295000 125.325 -78.5075 -36.227 -78.5076 -96.1624 -10.4718 -36.227 -10.4717 -70.1451 GPRESSAVG: 4295000 125.743 -78.4507 -34.0567 -78.9406 -97.3961 -9.81254 -34.7778 -8.89611 -69.0617 TIMING: 4295000 CPU: 12899.3, 0.00302996/step Wall: 12899.3, 0.00302996/step, 0.593366 hours remaining, 207.390625 MB of memory in use. ENERGY: 4295000 754.2320 2133.1532 1934.8089 115.5108 -206339.2993 17763.8540 0.0000 0.0000 34224.8842 -149412.8562 298.8944 -183637.7404 -149319.6821 298.9226 -106.9331 -67.6601 556624.5143 -13.6607 -13.5716 PRESSURE: 4295200 91.9253 3.45129 71.2466 3.45181 -211.308 -72.3148 71.2462 -72.3165 25.3577 GPRESSURE: 4295200 92.1887 -17.093 23.5961 -15.9087 -184.174 -54.5087 100.446 -122.533 100.379 PRESSAVG: 4295200 49.4715 36.8217 45.4845 36.8217 -63.0222 -63.7097 45.4846 -63.7097 -5.74487 GPRESSAVG: 4295200 49.9897 38.5156 46.4465 36.5253 -63.963 -64.2125 42.6585 -65.3929 -4.94637 TIMING: 4295200 CPU: 12899.9, 0.00302941/step Wall: 12899.9, 0.00302941/step, 0.593092 hours remaining, 207.390625 MB of memory in use. ENERGY: 4295200 700.9501 2100.5231 1965.4059 117.0377 -206247.2289 17700.5830 0.0000 0.0000 34370.4939 -149292.2353 300.1661 -183662.7291 -149195.6033 299.2853 -31.3418 2.7978 556883.4778 -6.4319 -6.3066 PRESSURE: 4295400 112.504 36.2696 3.8649 36.2708 114.233 80.2644 3.86364 80.2642 80.0105 GPRESSURE: 4295400 118.878 46.7888 32.2213 19.136 166.974 115.687 -75.9444 80.2896 113.86 PRESSAVG: 4295400 23.2812 29.4557 -8.45175 29.4558 -22.0289 7.79564 -8.45186 7.79572 -16.7927 GPRESSAVG: 4295400 22.3224 26.3528 -9.13499 29.4961 -19.6285 5.96529 -7.99053 10.5437 -18.0768 TIMING: 4295400 CPU: 12900.5, 0.00304308/step Wall: 12900.5, 0.00304308/step, 0.595599 hours remaining, 207.390625 MB of memory in use. ENERGY: 4295400 747.5413 2032.8098 1949.4356 124.5402 -206537.9455 17980.7622 0.0000 0.0000 34303.5770 -149399.2794 299.5817 -183702.8564 -149311.3458 298.9180 102.2492 133.2373 556176.1740 -5.1801 -5.1276 PRESSURE: 4295600 -1.91848 72.9835 -156.023 72.983 197.131 171.665 -156.023 171.666 71.4785 GPRESSURE: 4295600 74.9341 170.887 -207.827 -2.49855 191.636 172.682 -90.6562 93.3346 99.0337 PRESSAVG: 4295600 -44.6526 12.3133 -2.9767 12.3132 72.1978 57.7974 -2.97661 57.7973 -66.8268 GPRESSAVG: 4295600 -43.5412 15.3026 -2.76028 11.2329 70.9226 59.5613 -5.08625 54.6259 -66.1427 TIMING: 4295600 CPU: 12901.1, 0.00304658/step Wall: 12901.1, 0.00304658/step, 0.596113 hours remaining, 207.390625 MB of memory in use. ENERGY: 4295600 765.6716 2071.3428 1956.0096 141.2031 -206467.6199 17953.4319 0.0000 0.0000 34122.9843 -149456.9766 298.0045 -183579.9609 -149371.2161 299.1014 88.8970 121.8681 555080.5182 -13.0939 -12.9205 PRESSURE: 4295800 228.698 7.96178 -58.1514 7.96053 -2.03625 -0.648956 -58.1514 -0.647279 -248.178 GPRESSURE: 4295800 205.037 -31.5436 10.5642 61.28 26.4473 -28.1112 -106.854 45.1805 -147.608 PRESSAVG: 4295800 -23.9723 20.2235 -44.8825 20.2235 -2.94197 13.3374 -44.8825 13.3375 -27.9402 GPRESSAVG: 4295800 -25.4622 16.9218 -44.6447 22.0126 -3.66767 13.5666 -44.7763 13.3624 -26.4276 TIMING: 4295800 CPU: 12901.7, 0.00304205/step Wall: 12901.7, 0.00304205/step, 0.595058 hours remaining, 207.390625 MB of memory in use. ENERGY: 4295800 759.7990 2063.3653 1944.2865 104.3545 -206160.1827 17833.2025 0.0000 0.0000 34178.0490 -149277.1260 298.4854 -183455.1749 -149179.5361 298.4422 -7.1718 27.9590 557705.9821 -18.2848 -18.5192 PRESSURE: 4296000 -56.0648 -54.4622 -38.6286 -54.4614 156.38 54.1251 -38.6284 54.1264 46.2404 GPRESSURE: 4296000 -68.843 -2.05393 -35.4122 -98.3712 210.565 76.7613 -20.7072 72.2624 96.3726 PRESSAVG: 4296000 85.3734 23.9079 -20.6969 23.9079 -0.38074 39.1034 -20.6969 39.1034 -62.8051 GPRESSAVG: 4296000 85.6268 27.4195 -21.7757 23.1695 1.2654 39.0807 -19.0484 38.688 -64.4679 TIMING: 4296000 CPU: 12902.3, 0.00304156/step Wall: 12902.3, 0.00304156/step, 0.594793 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: 4296000 795.8490 2130.5653 1944.7001 111.9139 -206618.5955 18017.9460 0.0000 0.0000 34210.6417 -149406.9794 298.7700 -183617.6211 -149316.3904 298.6362 48.8519 79.3648 557045.1795 7.3959 7.4747 PRESSURE: 4296200 12.2706 61.8991 -12.5022 61.9001 -95.1513 -51.2406 -12.5028 -51.2417 -299.422 GPRESSURE: 4296200 85.6866 13.4083 -7.63385 138.476 -92.7874 -10.956 -89.1472 -33.7776 -272.818 PRESSAVG: 4296200 74.1999 -22.4277 36.6013 -22.4278 2.67473 3.49241 36.6014 3.49239 -25.5979 GPRESSAVG: 4296200 73.951 -25.1809 37.581 -20.7584 1.80492 4.30077 36.7554 4.95767 -24.6129 TIMING: 4296200 CPU: 12902.9, 0.00305976/step Wall: 12902.9, 0.00305976/step, 0.598183 hours remaining, 207.390625 MB of memory in use. ENERGY: 4296200 789.2504 2105.3859 1924.3981 119.2618 -206033.5016 17645.6022 0.0000 0.0000 34337.0041 -149112.5991 299.8736 -183449.6032 -149017.0776 298.8923 -127.4343 -93.3061 558493.2811 17.0923 17.0477 LDB: ============= START OF LOAD BALANCING ============== 12906.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 12906.3 LDB: =============== DONE WITH MIGRATION ================ 12906.3 LDB: ============= START OF LOAD BALANCING ============== 12906.6 LDB: Largest compute 4820 load 0.024564 is 20.8% of average load 0.118141 LDB: Average compute 0.001731 is 1.5% of average load 0.118141 LDB: TIME 12906.7 LOAD: AVG 0.118141 MAX 0.220629 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.363 MB LDB: TIME 12906.7 LOAD: AVG 0.118141 MAX 0.220629 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.426 MB LDB: TIME 12906.7 LOAD: AVG 0.118141 MAX 0.220629 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.426 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12906.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12906.7 PRESSURE: 4296400 84.7974 -106.079 146.379 -106.08 207.699 -6.83104 146.379 -6.8303 -174.915 GPRESSURE: 4296400 88.3714 -90.1231 97.8275 -77.6611 257.121 94.6403 209.025 -59.1024 -123.374 PRESSAVG: 4296400 55.8752 -11.2882 -1.07164 -11.2882 2.33992 15.7129 -1.07164 15.7129 -34.9238 GPRESSAVG: 4296400 55.4966 -9.96681 -2.69771 -11.0722 3.13146 16.2181 -0.938785 13.6342 -34.9363 TIMING: 4296400 CPU: 12903.5, 0.00310361/step Wall: 12903.5, 0.00310361/step, 0.606583 hours remaining, 209.070312 MB of memory in use. ENERGY: 4296400 732.5548 2110.7716 1944.5505 106.1450 -206063.7243 17820.9628 0.0000 0.0000 34190.6597 -149158.0800 298.5955 -183348.7397 -149049.9628 299.2835 39.1936 74.0394 556823.1622 7.7638 7.8973 PRESSURE: 4296600 43.9548 129.126 53.1502 129.124 34.4828 4.66154 53.1528 4.6624 281.911 GPRESSURE: 4296600 13.44 161.552 157.993 29.6649 125.152 6.30776 24.9216 71.3621 306.901 PRESSAVG: 4296600 -102.313 -9.00299 14.5309 -9.00289 103.888 4.33928 14.5309 4.33928 -5.90931 GPRESSAVG: 4296600 -102.773 -11.9884 14.2809 -8.23275 104.045 4.27998 15.1789 3.40435 -6.02335 TIMING: 4296600 CPU: 12904.1, 0.00306031/step Wall: 12904.1, 0.00306031/step, 0.597951 hours remaining, 209.140625 MB of memory in use. ENERGY: 4296600 715.6411 2043.4885 1962.4750 115.1564 -206218.7335 17874.0339 0.0000 0.0000 34112.5095 -149395.4292 297.9130 -183507.9387 -149305.2102 299.0219 120.1161 148.4976 556809.0974 -1.4446 -1.5838 PRESSURE: 4296800 -198.926 48.4127 40.312 48.4127 -416.14 1.78242 40.3125 1.78286 -73.402 GPRESSURE: 4296800 -156.707 -83.9181 25.3667 32.7406 -375.978 -33.4081 33.512 39.0344 -67.6056 PRESSAVG: 4296800 -50.6445 -5.67839 -62.1315 -5.67842 1.46628 -22.9073 -62.1316 -22.9073 41.6779 GPRESSAVG: 4296800 -49.9114 -4.64919 -61.3156 -7.18156 1.44821 -24.339 -62.0676 -20.1516 40.6912 TIMING: 4296800 CPU: 12904.8, 0.00305936/step Wall: 12904.8, 0.00305936/step, 0.597595 hours remaining, 209.140625 MB of memory in use. ENERGY: 4296800 744.2712 2100.0605 1924.9608 112.2869 -205787.8471 17335.3879 0.0000 0.0000 34201.5460 -149369.3339 298.6906 -183570.8799 -149268.4045 298.5849 -229.4892 -200.0969 557185.9200 -2.5001 -2.5907 PRESSURE: 4297000 -117.719 -71.4338 -132.105 -71.4324 46.083 118.53 -132.105 118.531 -415.233 GPRESSURE: 4297000 -70.3195 -28.1708 -124.607 28.4019 70.8646 108.873 -196.951 105.126 -400.062 PRESSAVG: 4297000 -47.2726 12.52 -59.7358 12.52 74.629 14.0634 -59.7359 14.0634 -41.6941 GPRESSAVG: 4297000 -46.7661 13.4506 -60.2359 12.8156 73.8305 14.6619 -61.627 14.469 -41.1683 TIMING: 4297000 CPU: 12905.4, 0.0030633/step Wall: 12905.4, 0.0030633/step, 0.598195 hours remaining, 209.140625 MB of memory in use. ENERGY: 4297000 745.5515 2060.4858 1918.7703 116.4171 -206410.1605 17819.2557 0.0000 0.0000 34319.2279 -149430.4522 299.7184 -183749.6801 -149333.7377 298.6866 -162.2896 -133.1722 557819.9675 -4.7792 -4.7013 PRESSURE: 4297200 27.3983 15.6863 -19.1796 15.6862 -28.6769 -48.0504 -19.1808 -48.0504 -21.7248 GPRESSURE: 4297200 86.3013 31.7039 -33.3998 -29.452 -11.437 -56.363 -4.46295 -82.4698 1.89432 PRESSAVG: 4297200 15.4196 31.4608 -80.1812 31.4608 32.957 19.9805 -80.1812 19.9806 -66.2793 GPRESSAVG: 4297200 15.5851 31.7846 -80.1985 32.4968 33.312 20.6612 -81.6689 18.5791 -66.8548 TIMING: 4297200 CPU: 12906, 0.00308746/step Wall: 12906, 0.00308746/step, 0.602741 hours remaining, 209.140625 MB of memory in use. ENERGY: 4297200 752.5416 2060.1903 1955.9455 121.0303 -206341.4763 17935.6838 0.0000 0.0000 34123.7087 -149392.3760 298.0108 -183516.0847 -149294.9868 299.1263 -7.6678 25.5862 557434.2047 -5.9676 -5.9859 PRESSURE: 4297400 -226.209 47.9401 -123.887 47.9407 220.563 38.5214 -123.887 38.5205 -182.648 GPRESSURE: 4297400 -237.039 72.8698 -62.4024 29.0833 255.323 79.3555 -89.1584 58.8991 -111.486 PRESSAVG: 4297400 42.6419 67.0883 -54.24 67.0884 24.4744 26.0745 -54.24 26.0745 -102.703 GPRESSAVG: 4297400 41.9175 66.1088 -52.8137 65.6731 23.8729 23.8039 -52.8394 26.4871 -101.759 TIMING: 4297400 CPU: 12906.6, 0.00308324/step Wall: 12906.6, 0.00308324/step, 0.601746 hours remaining, 209.140625 MB of memory in use. ENERGY: 4297400 749.6335 2118.0048 1934.2996 111.5311 -205983.0575 17605.3236 0.0000 0.0000 34096.6738 -149367.5911 297.7747 -183464.2650 -149272.4184 298.4309 -62.7643 -31.0672 557407.7551 -11.8622 -11.9895 PRESSURE: 4297600 32.6352 123.455 -13.3926 123.454 -36.2123 59.4768 -13.391 59.476 79.9145 GPRESSURE: 4297600 77.521 125.799 13.6128 134.028 9.58798 91.4279 -64.353 32.157 90.2758 PRESSAVG: 4297600 30.4392 5.85001 -16.5416 5.84992 15.7857 1.62891 -16.5416 1.62892 -61.5237 GPRESSAVG: 4297600 31.3494 6.01403 -16.6674 6.67002 16.9194 4.30316 -16.3002 0.50527 -62.8559 TIMING: 4297600 CPU: 12907.2, 0.00305382/step Wall: 12907.2, 0.00305382/step, 0.595834 hours remaining, 209.140625 MB of memory in use. ENERGY: 4297600 719.7176 2104.6804 1969.0848 121.8647 -206292.2529 17776.0803 0.0000 0.0000 34398.4366 -149202.3884 300.4101 -183600.8251 -149109.1261 298.6243 25.4458 59.1282 557535.9151 -5.0996 -4.8624 PRESSURE: 4297800 -3.4694 165.482 37.1882 165.483 146.364 27.9547 37.1879 27.9551 -138.112 GPRESSURE: 4297800 -33.0224 83.7032 -19.1501 213.798 226.692 39.4848 57.741 1.27174 -89.5441 PRESSAVG: 4297800 3.95575 1.41172 -37.2944 1.41176 57.299 40.5335 -37.2944 40.5334 -6.21216 GPRESSAVG: 4297800 3.74972 1.71465 -37.6469 2.26149 56.9986 37.9041 -37.4239 42.8027 -5.63334 TIMING: 4297800 CPU: 12907.8, 0.00305665/step Wall: 12907.8, 0.00305665/step, 0.596217 hours remaining, 209.140625 MB of memory in use. ENERGY: 4297800 750.4842 2091.1942 1939.9741 111.8908 -206031.2803 17713.1343 0.0000 0.0000 34288.2138 -149136.3889 299.4475 -183424.6027 -149025.9137 299.1473 1.5941 34.7084 557163.5550 18.3475 18.3717 PRESSURE: 4298000 -198.419 -7.74644 -114.338 -7.74344 -246.119 80.9301 -114.337 80.9308 -73.2901 GPRESSURE: 4298000 -132.689 -77.7266 -49.4587 -49.1718 -218.967 116.483 -183.124 -48.9795 -77.3999 PRESSAVG: 4298000 50.4788 -23.8436 -25.9942 -23.8435 -68.3425 43.7691 -25.9943 43.7691 30.3351 GPRESSAVG: 4298000 51.0879 -23.8172 -25.9817 -25.1291 -68.7897 46.3141 -25.6798 43.1923 29.9161 TIMING: 4298000 CPU: 12908.4, 0.003046/step Wall: 12908.4, 0.003046/step, 0.59397 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: 4298000 745.3283 2084.5998 1940.0296 115.6897 -205616.3327 17405.3140 0.0000 0.0000 34302.4222 -149022.9491 299.5716 -183325.3714 -148937.7758 299.5483 -172.6092 -143.0187 558306.3277 4.1571 4.0714 PRESSURE: 4298200 98.2576 -20.8539 177.851 -20.8536 72.5535 -58.6357 177.851 -58.6371 -261.39 GPRESSURE: 4298200 116.898 -67.1126 133.012 48.5143 84.8305 -82.5436 214.344 3.5201 -206.397 PRESSAVG: 4298200 -15.2489 -2.13064 -14.8696 -2.13063 -32.5267 -4.60126 -14.8697 -4.60119 61.95 GPRESSAVG: 4298200 -15.3217 -1.12325 -14.8206 -1.97195 -32.3878 -6.29416 -15.3349 -1.27509 61.9879 TIMING: 4298200 CPU: 12909, 0.00304566/step Wall: 12909, 0.00304566/step, 0.593734 hours remaining, 209.140625 MB of memory in use. ENERGY: 4298200 729.0109 2101.5740 1974.3932 126.0835 -206299.7966 17846.3479 0.0000 0.0000 34378.4355 -149143.9516 300.2354 -183522.3871 -149047.9620 299.4443 -30.1928 -1.5562 558064.0542 4.7248 4.7595 PRESSURE: 4298400 246.189 -27.8267 -49.531 -27.8276 75.5662 77.2094 -49.5308 77.2094 245.791 GPRESSURE: 4298400 308.925 -73.2764 -50.8195 13.0038 89.7681 105.238 4.24019 27.7058 265.399 PRESSAVG: 4298400 13.2402 -9.9247 -2.05413 -9.92468 28.1694 -15.519 -2.05419 -15.5189 -5.1908 GPRESSAVG: 4298400 11.966 -10.4296 -1.46623 -9.53717 29.0942 -13.3779 -2.63778 -19.6954 -4.87333 TIMING: 4298400 CPU: 12909.7, 0.00306434/step Wall: 12909.7, 0.00306434/step, 0.597205 hours remaining, 209.140625 MB of memory in use. ENERGY: 4298400 738.8102 2069.1002 1930.1786 105.8080 -206197.2086 18064.3740 0.0000 0.0000 34171.5050 -149117.4326 298.4283 -183288.9375 -149017.9199 299.6209 189.1819 221.3638 558912.4420 12.0729 12.0623 PRESSURE: 4298600 29.3301 23.6464 -99.3159 23.6483 203.015 63.5283 -99.3154 63.5284 -144.758 GPRESSURE: 4298600 72.8826 1.1813 -84.209 94.9473 236.292 70.4594 -60.5929 56.0047 -128.279 PRESSAVG: 4298600 7.92358 7.14599 -21.1581 7.14596 -42.1619 -4.4721 -21.1582 -4.47208 49.2826 GPRESSAVG: 4298600 8.60783 7.16797 -22.6758 7.61996 -42.3358 -5.4234 -19.3988 -4.0202 49.1355 TIMING: 4298600 CPU: 12910.3, 0.00303844/step Wall: 12910.3, 0.00303844/step, 0.59199 hours remaining, 209.140625 MB of memory in use. ENERGY: 4298600 710.9267 2126.5893 1952.9915 106.4574 -205889.6124 17775.3589 0.0000 0.0000 34231.5402 -148985.7484 298.9526 -183217.2886 -148889.2068 299.5646 29.1959 60.2984 557757.0235 5.0148 5.1358 PRESSURE: 4298800 182.872 -105.167 -28.4055 -105.167 -8.73046 12.5911 -28.4055 12.5906 86.8401 GPRESSURE: 4298800 218.395 -141.123 -31.9611 -67.2585 22.0584 90.0583 -7.48488 12.5624 121.568 PRESSAVG: 4298800 5.96863 -8.05771 -24.4897 -8.05766 -37.0442 53.27 -24.4897 53.27 -0.652174 GPRESSAVG: 4298800 6.298 -8.71277 -23.7606 -9.30674 -36.598 53.1138 -25.8531 53.4024 -1.15506 TIMING: 4298800 CPU: 12910.9, 0.00305176/step Wall: 12910.9, 0.00305176/step, 0.594415 hours remaining, 209.140625 MB of memory in use. ENERGY: 4298800 742.4963 2042.8226 1960.7711 114.4811 -206112.0355 17965.4889 0.0000 0.0000 34222.4941 -149063.4812 298.8736 -183285.9754 -148967.5344 299.0062 86.9939 120.6737 557968.8153 -10.5759 -10.4850 PRESSURE: 4299000 -14.0505 -82.8595 -50.5045 -82.859 -128.338 188.182 -50.504 188.181 -141.146 GPRESSURE: 4299000 -16.2721 -149.004 -37.535 -115.544 -50.9612 109.263 -53.5061 187.359 -116.759 PRESSAVG: 4299000 23.9647 -39.4339 -49.0979 -39.4339 3.67857 54.0734 -49.098 54.0735 -12.2091 GPRESSAVG: 4299000 24.0045 -36.5994 -48.191 -41.5028 4.13801 53.6791 -48.7741 54.3872 -12.11 TIMING: 4299000 CPU: 12911.5, 0.00305383/step Wall: 12911.5, 0.00305383/step, 0.594649 hours remaining, 209.140625 MB of memory in use. ENERGY: 4299000 720.5159 2125.9449 1980.4842 113.8021 -205943.3631 17551.7947 0.0000 0.0000 34530.9562 -148919.8650 301.5674 -183450.8212 -148825.9526 299.5417 -94.5115 -61.3306 557313.7557 5.1447 5.3442 PRESSURE: 4299200 -212.914 96.8387 -25.7753 96.8396 15.1784 200.564 -25.7749 200.563 41.5451 GPRESSURE: 4299200 -218.027 -38.3247 -97.3206 150.081 57.699 165.904 -9.67381 192.768 88.5387 PRESSAVG: 4299200 29.6582 23.3321 -24.9442 23.3321 -47.9214 38.0926 -24.9443 38.0926 19.5543 GPRESSAVG: 4299200 29.3252 20.3381 -25.5441 27.4673 -48.7518 37.8575 -25.9557 38.9539 20.3581 TIMING: 4299200 CPU: 12912.1, 0.0030937/step Wall: 12912.1, 0.0030937/step, 0.602239 hours remaining, 209.140625 MB of memory in use. ENERGY: 4299200 723.3718 2131.1658 1930.6461 112.2694 -205580.0136 17539.9091 0.0000 0.0000 34361.8228 -148780.8286 300.0903 -183142.6514 -148685.4838 299.9248 -52.0636 -23.9296 557888.9776 0.4303 0.3105 PRESSURE: 4299400 -35.676 -18.7371 -18.9125 -18.7365 241.631 -141.5 -18.914 -141.502 -31.9059 GPRESSURE: 4299400 53.3046 9.12387 -70.9932 -0.577332 238.299 -153.523 49.1624 -73.4876 -26.874 PRESSAVG: 4299400 10.0095 -26.5336 7.03631 -26.5337 26.2431 26.3958 7.03629 26.3959 -16.4082 GPRESSAVG: 4299400 9.69858 -25.0091 7.47798 -28.7095 26.044 28.3903 9.06414 24.5454 -16.1686 TIMING: 4299400 CPU: 12912.7, 0.00310194/step Wall: 12912.7, 0.00310194/step, 0.603672 hours remaining, 209.140625 MB of memory in use. ENERGY: 4299400 748.2962 2112.9501 1946.2054 118.8243 -206029.0359 17847.5986 0.0000 0.0000 34316.7004 -148938.4610 299.6963 -183255.1614 -148837.8178 299.8088 58.0163 88.2431 557955.4146 6.6148 6.5247 PRESSURE: 4299600 236.992 1.5771 39.8365 1.5785 -18.6043 -48.0897 39.8364 -48.0887 -178.709 GPRESSURE: 4299600 278.15 -110.436 -30.0626 -18.3687 22.7247 -46.8166 81.8255 -59.0894 -164.506 PRESSAVG: 4299600 54.0537 22.7622 15.6326 22.7621 -35.3136 2.77872 15.6327 2.77892 -19.4664 GPRESSAVG: 4299600 55.0506 22.7702 14.7735 20.9285 -36.3406 1.38966 14.5673 3.47582 -19.9891 TIMING: 4299600 CPU: 12913.3, 0.00310178/step Wall: 12913.3, 0.00310178/step, 0.603469 hours remaining, 209.140625 MB of memory in use. ENERGY: 4299600 752.2237 2109.7894 1936.0087 117.9991 -206223.5912 17800.9554 0.0000 0.0000 34539.0468 -148967.5680 301.6381 -183506.6148 -148866.3323 299.9955 13.2264 45.4564 557683.9218 -0.2421 -0.4264 PRESSURE: 4299800 -218.561 -73.7596 22.9046 -73.7595 -86.913 57.1649 22.9039 57.1653 -65.2353 GPRESSURE: 4299800 -124.117 -68.8509 14.5713 -91.5827 -129.535 40.6819 48.3034 67.0836 -16.508 PRESSAVG: 4299800 62.4127 -15.9806 -21.9106 -15.9807 -20.3624 -33.0976 -21.9106 -33.0976 -24.8208 GPRESSAVG: 4299800 62.5261 -14.2906 -22.406 -14.8333 -19.1797 -32.061 -21.8745 -32.7131 -26.0033 TIMING: 4299800 CPU: 12914, 0.00307573/step Wall: 12914, 0.00307573/step, 0.59823 hours remaining, 209.140625 MB of memory in use. ENERGY: 4299800 814.0832 2064.3396 1935.0037 99.9258 -206341.0450 17860.7378 0.0000 0.0000 34558.8542 -149008.1008 301.8111 -183566.9550 -148920.4516 299.9809 -123.5697 -90.0535 557655.8168 5.7431 5.7810 PRESSURE: 4300000 -9.13657 154.194 -30.9823 154.196 -247.291 -79.4034 -30.9831 -79.4029 -164.065 GPRESSURE: 4300000 -48.2089 132.442 18.7764 140.499 -127.575 -154.802 -38.5251 -55.258 -125.035 PRESSAVG: 4300000 -46.16 28.0956 -71.8512 28.0956 -21.537 -31.1963 -71.8512 -31.1963 3.76288 GPRESSAVG: 4300000 -47.4725 25.1486 -69.6887 28.3586 -20.8615 -31.9004 -73.5749 -30.7686 3.66535 TIMING: 4300000 CPU: 12914.6, 0.00307666/step Wall: 12914.6, 0.00307666/step, 0.598239 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: 4300000 771.8515 2088.6123 1970.2743 109.3882 -205841.5894 17619.6326 0.0000 0.0000 34358.8957 -148922.9349 300.0648 -183281.8306 -148823.8976 299.6967 -140.1642 -100.2731 558304.1466 -21.3114 -21.5562 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4300000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4300000 WRITING COORDINATES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4300000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4300200 -40.1999 -11.9345 -20.3027 -11.9347 -183.499 140.643 -20.3018 140.643 -155.309 GPRESSURE: 4300200 -8.3739 15.5517 12.3306 -36.5495 -142.46 177.142 18.8103 89.578 -127.261 PRESSAVG: 4300200 21.7081 32.243 2.6093 32.243 -12.3441 14.9748 2.60932 14.9748 -14.3547 GPRESSAVG: 4300200 22.927 34.6848 1.87676 31.3125 -12.9351 14.9128 2.98193 14.8714 -14.6644 TIMING: 4300200 CPU: 12915.2, 0.00312275/step Wall: 12915.2, 0.00312275/step, 0.607028 hours remaining, 209.265625 MB of memory in use. ENERGY: 4300200 746.5749 2089.4638 1948.9967 111.0901 -205867.9611 17603.2661 0.0000 0.0000 34418.0258 -148950.5439 300.5812 -183368.5696 -148852.0054 299.8705 -126.3360 -92.6985 556625.3648 -1.6635 -1.5575 LDB: ============= START OF LOAD BALANCING ============== 12918.6 LDB: ============== END OF LOAD BALANCING =============== 12918.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12918.6 LDB: ============= START OF LOAD BALANCING ============== 12918.9 LDB: Largest compute 4820 load 0.022849 is 19.3% of average load 0.118147 LDB: Average compute 0.001728 is 1.5% of average load 0.118147 LDB: TIME 12918.9 LOAD: AVG 0.118147 MAX 0.218314 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.59 MB LDB: TIME 12918.9 LOAD: AVG 0.118147 MAX 0.218314 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.59 MB LDB: TIME 12918.9 LOAD: AVG 0.118147 MAX 0.218314 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.59 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12918.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12918.9 PRESSURE: 4300400 -232.001 -28.7116 24.3966 -28.7117 91.2149 -123.137 24.3974 -123.137 -157.119 GPRESSURE: 4300400 -211.317 -63.2529 36.5369 56.1868 127.349 -43.7055 38.6627 -184.186 -100.067 PRESSAVG: 4300400 -28.6387 22.0438 -67.5945 22.0438 -75.0431 -1.66329 -67.5945 -1.6633 24.8216 GPRESSAVG: 4300400 -29.2196 21.4252 -71.2354 21.594 -76.3228 -0.527659 -64.6586 -3.93513 27.1008 TIMING: 4300400 CPU: 12915.8, 0.00309602/step Wall: 12915.8, 0.00309602/step, 0.601661 hours remaining, 208.421875 MB of memory in use. ENERGY: 4300400 779.2445 2054.1948 1931.9718 126.2231 -205769.6230 17672.4362 0.0000 0.0000 34229.8686 -148975.6839 298.9380 -183205.5526 -148879.0956 299.5891 -99.3016 -61.3448 556810.9423 -26.2868 -26.1472 PRESSURE: 4300600 -186.876 -34.8097 -53.4953 -34.8108 -128.39 20.0573 -53.4947 20.0583 -4.09111 GPRESSURE: 4300600 -126.529 -35.8146 -73.4693 -62.0156 -140.683 -12.8342 -35.7903 -16.8133 52.3351 PRESSAVG: 4300600 -57.5732 20.5356 -50.5834 20.5356 36.8259 -14.5768 -50.5833 -14.5769 27.567 GPRESSAVG: 4300600 -56.2811 19.8779 -48.5113 19.8856 37.8832 -15.6682 -51.6118 -15.8459 25.5873 TIMING: 4300600 CPU: 12916.4, 0.00305042/step Wall: 12916.4, 0.00305042/step, 0.592629 hours remaining, 208.562500 MB of memory in use. ENERGY: 4300600 804.8233 2090.1864 1927.1507 107.9387 -205668.8807 17590.2586 0.0000 0.0000 34314.1893 -148834.3337 299.6743 -183148.5230 -148738.7563 300.3845 -106.4522 -71.6257 558835.2564 2.2732 2.3964 PRESSURE: 4300800 -184.068 -122.036 124.763 -122.037 4.68443 79.1243 124.762 79.1238 -1.09772 GPRESSURE: 4300800 -100.681 -137.288 71.5814 -76.1954 23.6901 70.8122 51.5501 90.6932 -2.74231 PRESSAVG: 4300800 -65.0875 15.9537 -15.0198 15.9537 23.3698 40.0696 -15.0198 40.0695 39.2604 GPRESSAVG: 4300800 -66.3356 16.3514 -16.0644 17.9794 23.8207 41.1195 -15.6768 42.1798 39.6074 TIMING: 4300800 CPU: 12917, 0.00302135/step Wall: 12917, 0.00302134/step, 0.586812 hours remaining, 208.562500 MB of memory in use. ENERGY: 4300800 764.1997 2089.5976 1948.4468 117.9625 -205604.5838 17594.8670 0.0000 0.0000 34199.9952 -148889.5150 298.6771 -183089.5102 -148787.5367 300.0750 -60.1606 -26.5777 557456.4845 -0.8191 -0.9692 PRESSURE: 4301000 -136.035 -43.0786 144.197 -43.0787 6.60822 146.517 144.199 146.517 72.3947 GPRESSURE: 4301000 -131.223 -10.9794 158.815 -39.8395 49.0968 144.754 175.147 179.646 122.296 PRESSAVG: 4301000 -6.08895 -8.0171 -12.0211 -8.01699 -5.97181 -0.490447 -12.0211 -0.490462 7.83332 GPRESSAVG: 4301000 -5.09226 -10.6763 -10.277 -6.78631 -6.13994 -0.797996 -10.223 -0.474357 7.12183 TIMING: 4301000 CPU: 12917.6, 0.0030578/step Wall: 12917.6, 0.0030578/step, 0.593722 hours remaining, 208.562500 MB of memory in use. ENERGY: 4301000 771.1805 2074.5397 1933.9851 105.7830 -206185.7898 17836.1814 0.0000 0.0000 34402.7724 -149061.3477 300.4480 -183464.1201 -148962.3071 299.8694 -19.0107 13.3897 557911.0676 -1.4091 -1.3701 PRESSURE: 4301200 -122.67 86.4149 53.8753 86.4154 -86.8064 128.655 53.8755 128.655 -308.852 GPRESSURE: 4301200 -116.061 111.037 27.7365 183.57 -25.7798 39.4631 107.854 124.442 -279.137 PRESSAVG: 4301200 -71.2949 41.1302 19.4913 41.1303 24.9124 9.16544 19.4913 9.16552 56.3606 GPRESSAVG: 4301200 -70.9511 41.9536 18.3945 41.2209 24.1616 9.63239 18.9421 8.44407 56.8973 TIMING: 4301200 CPU: 12918.2, 0.00303493/step Wall: 12918.2, 0.00303493/step, 0.589114 hours remaining, 208.562500 MB of memory in use. ENERGY: 4301200 706.5519 2122.1000 1932.0185 103.2118 -205781.1865 17503.4131 0.0000 0.0000 34361.8894 -149052.0018 300.0909 -183413.8912 -148954.2558 299.9805 -172.7764 -140.3260 557951.8175 3.3260 3.3693 PRESSURE: 4301400 -288.51 -147.903 144.505 -147.903 -9.04938 -225.203 144.506 -225.205 -42.6979 GPRESSURE: 4301400 -281.76 -109.532 162.011 -161.3 50.4575 -228.101 43.6987 -156.119 1.51057 PRESSAVG: 4301400 -1.70898 -60.4984 46.8723 -60.4983 18.9378 -40.4321 46.8723 -40.4321 -3.31769 GPRESSAVG: 4301400 -3.02243 -56.3999 47.5104 -63.4768 20.4239 -40.9736 45.6414 -38.7309 -3.60244 TIMING: 4301400 CPU: 12918.9, 0.00303437/step Wall: 12918.9, 0.00303437/step, 0.588836 hours remaining, 208.562500 MB of memory in use. ENERGY: 4301400 759.6480 2114.5089 1940.4498 107.6832 -206080.3394 17724.1118 0.0000 0.0000 34406.4279 -149027.5098 300.4799 -183433.9377 -148918.9658 299.6522 -113.4192 -76.5972 557594.9317 4.6370 4.5997 PRESSURE: 4301600 -29.6462 -202.088 16.0096 -202.088 -304.426 87.6292 16.0087 87.6278 100.626 GPRESSURE: 4301600 51.2351 -71.2068 34.7187 -218.992 -260.449 33.1562 55.8857 165.133 68.7995 PRESSAVG: 4301600 -20.5087 -67.5657 5.76079 -67.5656 7.8191 5.00546 5.7608 5.00544 16.6465 GPRESSAVG: 4301600 -21.3366 -68.3645 5.82735 -68.0835 7.55043 4.50555 5.75181 4.05612 18.2657 TIMING: 4301600 CPU: 12919.5, 0.00305142/step Wall: 12919.5, 0.00305142/step, 0.591975 hours remaining, 208.562500 MB of memory in use. ENERGY: 4301600 746.6325 2159.1494 1969.8779 117.4617 -205847.1506 17659.5544 0.0000 0.0000 34162.9517 -149031.5231 298.3536 -183194.4748 -148936.8787 300.0710 -77.8155 -46.8047 557210.9341 1.3190 1.4932 PRESSURE: 4301800 94.7464 -41.6666 -3.19156 -41.6669 -114.052 45.8241 -3.19182 45.8246 24.583 GPRESSURE: 4301800 129.411 -51.1284 -91.799 -79.0465 -63.7105 23.2198 1.72927 -3.49131 41.8676 PRESSAVG: 4301800 82.326 -66.5429 -4.12061 -66.543 17.5918 -4.49294 -4.1208 -4.4929 -98.3858 GPRESSAVG: 4301800 83.4653 -69.0152 -5.56599 -65.146 17.0442 -2.9437 -5.48731 -4.63141 -98.881 TIMING: 4301800 CPU: 12920.1, 0.00307193/step Wall: 12920.1, 0.00307193/step, 0.595785 hours remaining, 208.562500 MB of memory in use. ENERGY: 4301800 767.3883 2109.8365 1927.0083 117.3727 -206131.5394 17781.0380 0.0000 0.0000 34146.8444 -149282.0512 298.2129 -183428.8956 -149188.4958 299.5519 1.7592 35.8562 556575.2507 0.5106 0.5428 PRESSURE: 4302000 -2.88286 49.4965 -163.842 49.496 14.0229 -36.7497 -163.841 -36.7501 118.333 GPRESSURE: 4302000 46.6774 93.2105 -122.189 43.0789 -8.66007 -26.54 -151.333 -52.7202 193.437 PRESSAVG: 4302000 22.8444 2.94043 -55.0016 2.94044 -7.81776 -10.0189 -55.0017 -10.0189 -28.0522 GPRESSAVG: 4302000 21.9979 4.33074 -53.3018 3.88761 -7.25998 -10.2048 -53.6999 -10.2319 -27.0921 TIMING: 4302000 CPU: 12920.7, 0.0030787/step Wall: 12920.7, 0.0030787/step, 0.596925 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: 4302000 758.0646 2115.3184 1941.6083 100.5081 -206598.4373 18026.4319 0.0000 0.0000 34320.1441 -149336.3619 299.7264 -183656.5060 -149242.0971 298.9177 43.1576 77.1515 557753.8081 -4.3418 -4.1181 PRESSURE: 4302200 130.491 -102.759 -25.7861 -102.759 68.4269 -89.262 -25.7874 -89.2615 -89.7006 GPRESSURE: 4302200 231.81 -139.251 -16.4583 -83.9575 109.308 -97.8641 39.3075 -137.835 -115.319 PRESSAVG: 4302200 -43.7828 -20.6024 8.03772 -20.6024 38.2326 10.0563 8.03772 10.0564 -6.45304 GPRESSAVG: 4302200 -42.1156 -21.1729 8.28647 -21.0705 38.0649 6.36807 8.03092 11.4514 -8.33658 TIMING: 4302200 CPU: 12921.3, 0.00304044/step Wall: 12921.3, 0.00304044/step, 0.589339 hours remaining, 208.562500 MB of memory in use. ENERGY: 4302200 753.5483 2109.0980 1956.5071 107.2245 -206327.0613 17827.2881 0.0000 0.0000 34335.9658 -149237.4295 299.8645 -183573.3952 -149133.7999 299.4120 36.4058 75.2666 556052.6986 -4.0011 -4.1291 PRESSURE: 4302400 -208.079 117.855 -87.3112 117.853 274.738 189.684 -87.3114 189.684 24.2257 GPRESSURE: 4302400 -139.843 161.919 -63.9906 115 259.578 215.959 -91.4144 186.1 71.9843 PRESSAVG: 4302400 -13.8184 -28.7889 -1.57428 -28.7889 27.8046 16.5624 -1.57422 16.5623 16.4044 GPRESSAVG: 4302400 -14.4861 -28.8294 -1.8132 -27.7398 28.2643 19.1348 -1.32524 15.4527 16.9395 TIMING: 4302400 CPU: 12921.9, 0.00304412/step Wall: 12921.9, 0.00304412/step, 0.589883 hours remaining, 208.562500 MB of memory in use. ENERGY: 4302400 764.2368 2156.5408 1944.7700 94.9739 -206470.3087 17972.1725 0.0000 0.0000 34280.1677 -149257.4470 299.3772 -183537.6146 -149151.4523 299.8643 30.2949 63.9065 556417.4527 10.1302 10.2392 PRESSURE: 4302600 -168.248 167.496 42.6175 167.495 15.7217 -14.6254 42.617 -14.6267 -158.584 GPRESSURE: 4302600 -124.067 95.8196 38.7447 163.483 -3.95485 -100.929 173.031 -98.7005 -78.735 PRESSAVG: 4302600 -7.35949 -58.465 -14.8838 -58.465 15.1704 -22.0416 -14.8838 -22.0416 -9.90273 GPRESSAVG: 4302600 -6.73358 -57.1736 -15.709 -60.435 14.2283 -21.8128 -13.0284 -20.8021 -9.62007 TIMING: 4302600 CPU: 12922.5, 0.00307259/step Wall: 12922.5, 0.00307259/step, 0.595229 hours remaining, 208.562500 MB of memory in use. ENERGY: 4302600 775.2493 2154.2316 1959.3713 107.8653 -206229.1283 17776.1199 0.0000 0.0000 34078.9638 -149377.3270 297.6201 -183456.2908 -149282.6681 299.0542 -103.7034 -68.9191 557366.6851 -0.6973 -0.7085 PRESSURE: 4302800 165.129 -88.1924 4.44881 -88.1915 76.9737 -88.8775 4.44837 -88.8778 -243.798 GPRESSURE: 4302800 220.032 -201.125 -104.027 -49.6053 103.889 -155.769 59.331 -31.3542 -238.891 PRESSAVG: 4302800 66.4976 0.0809377 51.1143 0.0808814 32.0197 -14.0983 51.1145 -14.0983 -114.828 GPRESSAVG: 4302800 65.2777 0.222133 52.1534 0.65203 32.9394 -14.1874 48.8127 -16.8179 -114.538 TIMING: 4302800 CPU: 12923.1, 0.00309188/step Wall: 12923.1, 0.00309188/step, 0.598794 hours remaining, 208.562500 MB of memory in use. ENERGY: 4302800 764.9093 2104.0435 1911.9636 107.3731 -206213.1109 17700.3013 0.0000 0.0000 34329.1126 -149295.4074 299.8047 -183624.5200 -149198.1708 299.3692 -0.5650 28.3433 557199.4220 -5.4368 -5.4402 PRESSURE: 4303000 -283.084 -214.688 -16.9784 -214.688 184.985 24.648 -16.9775 24.6489 -178.154 GPRESSURE: 4303000 -219.789 -292.49 17.3318 -76.8144 194.442 111.043 -44.7078 20.6503 -146.363 PRESSAVG: 4303000 18.2162 -18.209 13.7718 -18.2091 39.9473 -10.3314 13.7719 -10.3314 -26.4068 GPRESSAVG: 4303000 19.1575 -20.1836 13.4132 -15.6407 39.4054 -9.54955 13.9706 -8.44654 -26.3102 TIMING: 4303000 CPU: 12923.8, 0.00307244/step Wall: 12923.8, 0.00307244/step, 0.594858 hours remaining, 208.562500 MB of memory in use. ENERGY: 4303000 765.4121 2094.6335 1939.9357 112.0841 -206076.1715 17797.0033 0.0000 0.0000 34183.6731 -149183.4298 298.5345 -183367.1029 -149087.4683 299.7732 -92.0843 -57.2366 556665.3534 10.5856 10.7509 PRESSURE: 4303200 -227.784 42.3837 3.8583 42.3848 -272.883 -4.36129 3.85787 -4.36267 -242.551 GPRESSURE: 4303200 -149.925 65.1645 -78.1092 53.1501 -291.904 -50.3204 26.985 -52.415 -195.393 PRESSAVG: 4303200 2.47292 -48.7279 -6.8703 -48.728 4.90298 44.8776 -6.8701 44.8776 18.975 GPRESSAVG: 4303200 3.08438 -47.1366 -10.1631 -49.246 5.42173 42.8258 -3.12489 46.6138 18.4843 TIMING: 4303200 CPU: 12924.4, 0.00311607/step Wall: 12924.4, 0.00311607/step, 0.603134 hours remaining, 208.562500 MB of memory in use. ENERGY: 4303200 785.0896 2128.2764 1929.9584 108.2667 -205531.6803 17361.4271 0.0000 0.0000 34324.3590 -148894.3030 299.7632 -183218.6621 -148799.9220 300.4213 -247.7392 -212.4071 557306.0021 8.7836 8.9968 PRESSURE: 4303400 -74.5674 25.4544 198.837 25.4544 -149.554 154.541 198.837 154.54 -158.859 GPRESSURE: 4303400 -99.874 99.525 189.572 -25.9119 -80.9661 75.9435 209.237 179.412 -93.1454 PRESSAVG: 4303400 24.9599 -40.8154 -9.32235 -40.8154 7.91133 71.7276 -9.32237 71.7277 -2.92611 GPRESSAVG: 4303400 25.2031 -40.6043 -7.8776 -44.0902 8.07855 72.6122 -11.2553 69.4419 -3.28407 TIMING: 4303400 CPU: 12925, 0.00308253/step Wall: 12925, 0.00308253/step, 0.59647 hours remaining, 208.562500 MB of memory in use. ENERGY: 4303400 727.5186 2121.4418 1923.4768 124.9297 -206208.5275 17739.0266 0.0000 0.0000 34541.7909 -149030.3433 301.6621 -183572.1342 -148929.1721 300.7430 -127.6600 -91.3285 557963.9808 9.9817 9.9992 PRESSURE: 4303600 167.503 49.8048 -14.1298 49.8043 94.6761 134.176 -14.1299 134.176 39.9142 GPRESSURE: 4303600 179.48 88.8558 -44.3736 72.625 114.244 174.991 -35.1007 57.5095 109.095 PRESSAVG: 4303600 -50.0046 -7.37236 -58.2681 -7.37245 16.3336 -19.0671 -58.268 -19.067 46.0696 GPRESSAVG: 4303600 -50.622 -7.88185 -58.6979 -4.75857 16.3069 -16.3977 -56.7119 -18.9707 46.9887 TIMING: 4303600 CPU: 12925.6, 0.00307071/step Wall: 12925.6, 0.00307071/step, 0.594012 hours remaining, 208.562500 MB of memory in use. ENERGY: 4303600 724.6802 2119.5025 1940.5825 116.8326 -205954.1438 17826.8984 0.0000 0.0000 34412.9585 -148812.6891 300.5369 -183225.6476 -148716.4961 300.2978 100.6978 134.2727 556965.7291 4.1328 4.2246 PRESSURE: 4303800 -81.0765 -18.9145 -88.6594 -18.914 12.3723 178.142 -88.6599 178.143 25.3957 GPRESSURE: 4303800 -11.2906 6.03838 -159.81 12.7273 32.4403 149.233 -62.3776 133.696 33.9567 PRESSAVG: 4303800 -13.7418 10.186 -36.2 10.1861 -5.99831 -22.1644 -36.1999 -22.1645 -8.52886 GPRESSAVG: 4303800 -13.3596 8.60836 -35.9159 9.75032 -6.27885 -23.8173 -38.4658 -23.1088 -8.72298 TIMING: 4303800 CPU: 12926.2, 0.00304581/step Wall: 12926.2, 0.00304581/step, 0.589026 hours remaining, 208.562500 MB of memory in use. ENERGY: 4303800 772.6762 2080.8860 1914.2614 108.5339 -205928.5460 17869.0369 0.0000 0.0000 34334.1465 -148849.0051 299.8486 -183183.1516 -148757.0570 300.0715 -14.4362 18.3688 558675.6067 -9.4230 -9.4538 PRESSURE: 4304000 19.8288 -45.0375 -28.6779 -45.0386 171.093 41.1341 -28.6773 41.1329 -91.212 GPRESSURE: 4304000 24.9001 -29.5345 18.8848 -23.6495 221.149 63.2446 -82.5864 -24.7568 -45.998 PRESSAVG: 4304000 -30.3599 69.9581 5.99808 69.9581 29.764 -28.967 5.99817 -28.967 47.3925 GPRESSAVG: 4304000 -30.2849 73.4222 4.85829 68.3521 30.1697 -31.1411 6.17434 -27.312 47.1701 TIMING: 4304000 CPU: 12926.8, 0.00306332/step Wall: 12926.8, 0.00306332/step, 0.592241 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: 4304000 724.4684 2083.7866 1947.5118 121.5975 -205947.9984 17796.3986 0.0000 0.0000 34378.6093 -148895.6262 300.2369 -183274.2355 -148796.8306 299.9508 33.2368 66.6838 558058.7168 15.5989 15.6850 PRESSURE: 4304200 -247.524 -157.479 -30.7227 -157.479 -99.7731 -10.1011 -30.7204 -10.0989 5.71237 GPRESSURE: 4304200 -185.355 -173.649 91.343 -142.716 -98.2095 -0.956065 -58.4336 -88.9705 47.6244 PRESSAVG: 4304200 -73.4515 4.40413 -4.79644 4.40417 -33.3755 1.10327 -4.79636 1.10326 81.5858 GPRESSAVG: 4304200 -73.9135 2.31567 -2.85076 6.87254 -32.7109 1.67399 -4.36371 1.25753 81.3889 TIMING: 4304200 CPU: 12927.5, 0.0030806/step Wall: 12927.5, 0.0030806/step, 0.595412 hours remaining, 208.562500 MB of memory in use. ENERGY: 4304200 747.2340 2053.5673 1942.0339 114.4438 -205888.3634 17703.6226 0.0000 0.0000 34176.4484 -149151.0134 298.4714 -183327.4618 -149055.1623 299.2998 -113.8616 -78.6466 558138.1717 -8.4137 -8.4118 LDB: ============= START OF LOAD BALANCING ============== 12930.9 LDB: ============== END OF LOAD BALANCING =============== 12930.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12930.9 LDB: ============= START OF LOAD BALANCING ============== 12931.2 LDB: Largest compute 4820 load 0.023707 is 20.1% of average load 0.118124 LDB: Average compute 0.001725 is 1.5% of average load 0.118124 LDB: TIME 12931.2 LOAD: AVG 0.118124 MAX 0.220241 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.109 MB LDB: TIME 12931.2 LOAD: AVG 0.118124 MAX 0.220241 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.113 MB LDB: TIME 12931.2 LOAD: AVG 0.118124 MAX 0.220241 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.113 MB LDB: ============== END OF LOAD BALANCING =============== 12931.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12931.2 PRESSURE: 4304400 -12.7136 -239.216 142.448 -239.216 224.823 -25.6797 142.448 -25.6789 -284.678 GPRESSURE: 4304400 18.616 -184.21 120.805 -136.208 285.814 39.0405 118.553 -48.361 -291.566 PRESSAVG: 4304400 -27.254 -27.0885 22.8492 -27.0884 70.9076 12.885 22.8492 12.885 -33.3872 GPRESSAVG: 4304400 -27.1457 -25.6871 22.2071 -28.7509 70.3636 13.1429 22.7309 13.4766 -33.3717 TIMING: 4304400 CPU: 12928.1, 0.00312062/step Wall: 12928.1, 0.00312062/step, 0.602972 hours remaining, 207.273438 MB of memory in use. ENERGY: 4304400 763.8454 2112.9925 1942.2313 109.3587 -206136.3312 17881.6805 0.0000 0.0000 34122.0708 -149204.1519 297.9965 -183326.2227 -149106.6818 299.3883 -24.1896 4.2879 557360.5451 3.4221 3.2821 PRESSURE: 4304600 -296.693 -174.101 -69.7534 -174.102 -49.2015 -139.255 -69.7525 -139.253 -15.7459 GPRESSURE: 4304600 -288.19 -169.106 42.7517 -167.921 -3.59811 -144.659 -38.4669 -188.775 25.0699 PRESSAVG: 4304600 24.995 -77.6481 2.12572 -77.6481 27.6348 22.4638 2.12566 22.4639 -9.28057 GPRESSAVG: 4304600 25.0174 -81.259 3.23159 -75.8981 28.3932 21.1252 2.23575 23.0711 -10.3453 TIMING: 4304600 CPU: 12928.7, 0.00307464/step Wall: 12928.7, 0.00307464/step, 0.593918 hours remaining, 207.273438 MB of memory in use. ENERGY: 4304600 769.0011 2062.4803 1941.0389 111.7547 -205882.0665 17662.7940 0.0000 0.0000 34224.3371 -149110.6604 298.8896 -183334.9975 -149024.6268 299.4817 -120.5469 -88.9062 558696.2706 14.4497 14.3551 PRESSURE: 4304800 304.104 138.316 -105.475 138.317 -147.882 67.8119 -105.475 67.8118 -218.163 GPRESSURE: 4304800 262.193 170.217 -138.097 135.242 -62.605 4.44293 -0.519795 107.815 -151.444 PRESSAVG: 4304800 76.823 30.8468 -29.7924 30.8468 -4.46077 10.624 -29.7923 10.6241 -27.8441 GPRESSAVG: 4304800 75.2345 32.8464 -30.3387 27.7356 -3.63348 12.5057 -29.5979 8.59941 -26.762 TIMING: 4304800 CPU: 12929.3, 0.00308242/step Wall: 12929.3, 0.00308242/step, 0.595249 hours remaining, 207.273438 MB of memory in use. ENERGY: 4304800 731.9190 2062.6969 1930.7672 112.6492 -206133.9303 17791.8703 0.0000 0.0000 34472.7881 -149031.2397 301.0594 -183504.0278 -148935.9842 299.9188 -20.6470 16.0478 557478.0282 14.8394 14.9463 PRESSURE: 4305000 -501.93 -209.021 36.0187 -209.02 -401.334 -83.8002 36.0189 -83.8008 -245.03 GPRESSURE: 4305000 -477.519 -210.745 100.209 -272.939 -368.221 31.6564 -83.1124 -148.28 -216.682 PRESSAVG: 4305000 11.8369 2.7873 -13.1409 2.78732 -41.4552 -38.9115 -13.1409 -38.9115 7.65625 GPRESSAVG: 4305000 12.73 0.950824 -13.7066 4.32267 -42.3363 -38.3984 -13.7712 -38.2802 7.66773 TIMING: 4305000 CPU: 12929.9, 0.00305273/step Wall: 12929.9, 0.00305273/step, 0.589346 hours remaining, 207.273438 MB of memory in use. ENERGY: 4305000 762.2901 2096.0996 1928.0412 114.4988 -205435.9092 17211.7794 0.0000 0.0000 34159.1468 -149164.0533 298.3203 -183323.2001 -149069.2071 298.9527 -382.7645 -354.1406 558562.7402 -7.3207 -7.3129 PRESSURE: 4305200 147.636 -39.7107 -37.7468 -39.7102 37.2721 -8.93406 -37.7473 -8.93446 -101.058 GPRESSURE: 4305200 158.474 -89.9641 -69.2951 18.0377 110.261 19.4829 -66.8314 6.2493 -87.7295 PRESSAVG: 4305200 -65.9594 -21.3556 6.9692 -21.3556 76.5509 -21.8708 6.9691 -21.8707 12.2066 GPRESSAVG: 4305200 -65.4516 -19.1095 6.52871 -21.6714 76.9296 -23.1025 6.44802 -21.8469 10.8982 TIMING: 4305200 CPU: 12930.5, 0.00306295/step Wall: 12930.5, 0.00306295/step, 0.591149 hours remaining, 207.273438 MB of memory in use. ENERGY: 4305200 762.9187 2094.3469 1945.7363 108.1804 -206330.9133 17964.0907 0.0000 0.0000 34283.1796 -149172.4607 299.4035 -183455.6402 -149078.5024 299.2674 27.9499 60.3353 557829.5285 7.5994 7.4588 PRESSURE: 4305400 -119.325 8.02647 105.848 8.0255 -7.02138 -15.2048 105.848 -15.2026 -137.719 GPRESSURE: 4305400 -90.9012 -5.62016 170.746 -18.768 8.58409 6.16779 45.0075 -6.09877 -79.6277 PRESSAVG: 4305400 -67.0812 4.32022 -42.4816 4.32032 48.99 -22.5172 -42.4816 -22.5172 5.32925 GPRESSAVG: 4305400 -66.4507 3.12482 -41.0387 5.29039 47.8598 -21.0523 -43.8658 -23.9404 5.97416 TIMING: 4305400 CPU: 12931.1, 0.00307579/step Wall: 12931.1, 0.00307579/step, 0.593456 hours remaining, 207.273438 MB of memory in use. ENERGY: 4305400 754.6143 2122.1940 1923.3407 98.4565 -206389.7028 17967.4690 0.0000 0.0000 34316.3217 -149207.3066 299.6930 -183523.6283 -149104.9553 299.3735 -88.0219 -53.9816 559615.0354 -4.2540 -4.2056 PRESSURE: 4305600 312.665 -226.098 145.992 -226.099 497.528 -28.0069 145.992 -28.0086 359.047 GPRESSURE: 4305600 341.359 -233.691 153.407 -257.909 534.823 -84.668 88.491 -111.176 399.807 PRESSAVG: 4305600 23.2048 -30.2269 60.359 -30.2269 -4.18352 2.32205 60.359 2.32207 -29.5391 GPRESSAVG: 4305600 22.1591 -29.5238 60.2824 -33.3212 -3.28347 2.32974 64.1784 2.76611 -29.2601 TIMING: 4305600 CPU: 12931.8, 0.00308631/step Wall: 12931.8, 0.00308631/step, 0.595314 hours remaining, 207.273438 MB of memory in use. ENERGY: 4305600 740.1656 2066.0990 1949.6418 103.2527 -206675.6994 18394.8017 0.0000 0.0000 34126.7074 -149295.0312 298.0370 -183421.7386 -149203.4140 299.4748 389.7466 425.3294 557160.3101 -3.5059 -3.4615 PRESSURE: 4305800 -83.7323 -82.2994 19.2657 -82.2994 -58.3305 131.857 19.2655 131.858 33.6507 GPRESSURE: 4305800 -28.4589 -90.9467 70.0752 -64.604 -63.3964 35.9066 14.5778 158.362 81.7918 PRESSAVG: 4305800 13.5489 -38.7724 2.27291 -38.7725 -28.9546 4.91881 2.2729 4.91884 66.0849 GPRESSAVG: 4305800 13.783 -39.8511 2.03878 -36.6839 -29.1523 4.6568 -1.21708 5.22166 65.7269 TIMING: 4305800 CPU: 12932.4, 0.00306634/step Wall: 12932.4, 0.00306634/step, 0.591293 hours remaining, 207.273438 MB of memory in use. ENERGY: 4305800 781.7359 2086.6067 1947.6824 119.3178 -206052.1879 17781.3898 0.0000 0.0000 34061.3079 -149274.1473 297.4659 -183335.4553 -149168.9849 298.4612 -36.1373 -3.3545 557064.0848 16.8931 16.7859 PRESSURE: 4306000 -315.24 54.3964 -105.265 54.396 -3.65683 174.847 -105.264 174.845 -139.144 GPRESSURE: 4306000 -280.741 99.9859 -153.568 76.0282 60.0901 173.902 -131.631 143.487 -151.758 PRESSAVG: 4306000 8.33581 15.7148 32.7433 15.7147 20.8826 -62.3045 32.7433 -62.3045 -16.8918 GPRESSAVG: 4306000 8.96782 18.1163 33.5966 15.0508 20.8477 -61.953 32.8238 -61.302 -17.2464 TIMING: 4306000 CPU: 12933, 0.00308038/step Wall: 12933, 0.00308038/step, 0.59383 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: 4306000 756.8278 2132.9547 1920.3419 102.1926 -206236.5617 17624.7872 0.0000 0.0000 34352.1438 -149347.3137 300.0058 -183699.4575 -149257.9398 300.2971 -152.6802 -124.1363 556978.3998 4.1089 4.1897 PRESSURE: 4306200 -204.386 179.009 109.354 179.008 -143.877 -166.572 109.355 -166.571 -82.3957 GPRESSURE: 4306200 -180.714 254.725 119.36 182.807 -80.5758 -259.774 148.427 -130.679 -73.9531 PRESSAVG: 4306200 61.0705 1.39631 23.6231 1.39635 -87.706 -4.1934 23.6232 -4.19349 36.8566 GPRESSAVG: 4306200 60.1519 0.737242 24.2348 0.768005 -88.3886 -5.99678 24.8606 -2.28371 38.2076 TIMING: 4306200 CPU: 12933.6, 0.00304772/step Wall: 12933.6, 0.00304772/step, 0.587364 hours remaining, 207.273438 MB of memory in use. ENERGY: 4306200 782.2827 2132.7052 1930.3665 111.9455 -206222.4061 17732.7897 0.0000 0.0000 34274.4417 -149257.8749 299.3272 -183532.3166 -149154.6772 299.6840 -143.5529 -111.7478 557932.9433 3.4070 3.3236 PRESSURE: 4306400 70.468 57.3259 118.567 57.3262 -321.303 107.389 118.567 107.389 -129.389 GPRESSURE: 4306400 37.3697 -0.129085 -31.9827 40.5162 -237.313 151.086 145.395 121.309 -71.6484 PRESSAVG: 4306400 108.478 15.6275 29.3166 15.6275 -66.4384 -14.7552 29.3166 -14.7554 -9.57751 GPRESSAVG: 4306400 108.257 14.6064 28.6123 14.8933 -66.3941 -12.9789 29.3866 -18.6158 -10.0277 TIMING: 4306400 CPU: 12934.2, 0.00304275/step Wall: 12934.2, 0.00304275/step, 0.586237 hours remaining, 207.273438 MB of memory in use. ENERGY: 4306400 754.0574 2114.3232 1951.8936 112.0975 -205971.7673 17723.8215 0.0000 0.0000 34114.8117 -149200.7624 297.9331 -183315.5741 -149112.2167 299.5524 -126.7412 -90.5305 558161.7494 10.8205 10.6118 PRESSURE: 4306600 -86.5358 -24.1279 32.7498 -24.1291 -7.78753 -177.615 32.7484 -177.615 155.046 GPRESSURE: 4306600 -86.4576 7.5063 6.6158 9.19905 58.3201 -75.1518 50.6318 -217.536 189.882 PRESSAVG: 4306600 -36.9792 -4.50639 13.698 -4.50639 -3.15481 -17.2429 13.698 -17.243 58.9482 GPRESSAVG: 4306600 -36.2184 -3.17286 12.2542 -3.03744 -3.49663 -18.1508 13.584 -16.8955 58.1941 TIMING: 4306600 CPU: 12934.8, 0.00305324/step Wall: 12934.8, 0.00305324/step, 0.588089 hours remaining, 207.273438 MB of memory in use. ENERGY: 4306600 760.1212 2139.6441 1930.5319 119.6504 -206230.0857 17939.8065 0.0000 0.0000 34379.4768 -148960.8549 300.2445 -183340.3317 -148864.7105 299.1799 20.2409 53.9147 558604.6311 6.2714 6.1597 PRESSURE: 4306800 -193.735 -27.6465 183.947 -27.6472 41.3882 -146.052 183.947 -146.052 -135.527 GPRESSURE: 4306800 -199.693 -54.6912 171.65 -57.0655 14.7396 -173.838 178.541 -106.733 -12.0381 PRESSAVG: 4306800 -17.0656 -3.18848 43.9245 -3.18855 -11.2678 -65.2911 43.9244 -65.2911 37.2248 GPRESSAVG: 4306800 -17.8336 -4.33753 45.9409 -3.15376 -10.8518 -64.4053 43.2615 -66.0707 38.0729 TIMING: 4306800 CPU: 12935.4, 0.00305115/step Wall: 12935.4, 0.00305115/step, 0.587516 hours remaining, 207.273438 MB of memory in use. ENERGY: 4306800 741.0678 2054.6730 1949.0508 112.4888 -205966.5127 17775.1913 0.0000 0.0000 34601.5664 -148732.4745 302.1841 -183334.0409 -148630.2087 300.3085 -95.9580 -65.6638 559921.8586 2.9638 3.1291 PRESSURE: 4307000 -94.0824 52.2778 -5.1661 52.2772 26.711 1.8917 -5.16661 1.89239 -206.853 GPRESSURE: 4307000 -52.4453 37.6422 -68.4664 -36.0391 56.8108 81.5461 16.2963 -66.6173 -179.294 PRESSAVG: 4307000 25.7085 -34.0985 2.22789 -34.0985 12.1921 -14.1952 2.22787 -14.1954 -34.3299 GPRESSAVG: 4307000 25.22 -33.883 1.67216 -35.285 12.6228 -14.3752 1.55998 -15.1606 -33.895 TIMING: 4307000 CPU: 12936, 0.00305382/step Wall: 12936, 0.00305382/step, 0.58786 hours remaining, 207.273438 MB of memory in use. ENERGY: 4307000 758.8746 2126.5454 1934.7066 103.6173 -205506.1421 17590.1489 0.0000 0.0000 34332.0850 -148660.1643 299.8306 -182992.2493 -148562.8412 300.9044 -91.4080 -58.3094 559072.6670 1.1902 1.3160 PRESSURE: 4307200 -234.401 61.7365 137.105 61.737 -239.194 -49.1702 137.105 -49.1718 -575.666 GPRESSURE: 4307200 -288.094 50.2139 120.752 28.3735 -158.309 -70.3692 89.7932 -32.9745 -509.486 PRESSAVG: 4307200 -9.91717 28.0038 -64.2956 28.0038 110.185 51.4785 -64.2956 51.4784 -58.2509 GPRESSAVG: 4307200 -9.69496 29.4895 -64.6414 28.3559 110.321 51.4765 -63.859 53.3811 -58.0726 TIMING: 4307200 CPU: 12936.7, 0.0030723/step Wall: 12936.7, 0.0030723/step, 0.591247 hours remaining, 207.273438 MB of memory in use. ENERGY: 4307200 760.4994 2130.5822 1927.1001 105.9874 -205275.1344 17149.8627 0.0000 0.0000 34552.7490 -148648.3537 301.7578 -183201.1026 -148544.2123 301.5837 -349.7537 -318.6298 560929.8810 14.0057 14.1844 PRESSURE: 4307400 -23.2109 -88.453 50.4629 -88.4531 74.6937 -10.9544 50.4609 -10.9545 -66.0797 GPRESSURE: 4307400 42.9734 -70.68 65.1383 -88.3058 28.6749 -3.96697 -19.8372 -105.888 1.93281 PRESSAVG: 4307400 18.3898 -7.89811 15.8773 -7.898 -32.8855 11.3219 15.8771 11.322 10.3907 GPRESSAVG: 4307400 19.5498 -8.81138 17.5225 -6.88917 -33.7333 9.97606 13.7352 12.827 10.0717 TIMING: 4307400 CPU: 12937.3, 0.00306319/step Wall: 12937.3, 0.00306319/step, 0.589323 hours remaining, 207.273438 MB of memory in use. ENERGY: 4307400 735.6013 2135.4764 1958.9019 113.5867 -206031.4813 17888.6750 0.0000 0.0000 34540.0543 -148659.1857 301.6469 -183199.2400 -148559.5579 301.2513 -4.8656 24.5270 557638.2941 -1.3683 -1.3706 PRESSURE: 4307600 -75.2481 49.0327 -148.411 49.0338 -380.885 214.561 -148.409 214.561 -334.95 GPRESSURE: 4307600 -70.3497 30.7474 -199.69 46.6276 -332.643 219.026 -94.3856 166.242 -301.522 PRESSAVG: 4307600 18.2355 -16.0496 -20.3903 -16.0498 -49.1797 32.3055 -20.3903 32.3055 45.7253 GPRESSAVG: 4307600 16.5118 -17.7164 -24.4123 -16.1717 -47.8951 31.5559 -17.5545 31.2038 45.092 TIMING: 4307600 CPU: 12937.9, 0.00304682/step Wall: 12937.9, 0.00304682/step, 0.586004 hours remaining, 207.273438 MB of memory in use. ENERGY: 4307600 716.2481 2079.1059 1985.0103 109.3332 -205147.3078 17177.6761 0.0000 0.0000 34308.9760 -148770.9581 299.6288 -183079.9341 -148679.5497 300.3867 -263.6943 -234.8381 558146.4740 4.9271 4.5696 PRESSURE: 4307800 23.753 -35.7956 20.1035 -35.7948 114.662 -49.6065 20.1024 -49.6062 -99.2936 GPRESSURE: 4307800 72.3436 -23.7685 59.798 -60.158 157.276 -16.1199 -27.5214 -159.449 -88.6306 PRESSAVG: 4307800 10.6278 -2.42163 -13.8442 -2.42167 -22.1502 9.44133 -13.8441 9.44129 6.7059 GPRESSAVG: 4307800 11.298 -0.0362971 -10.0815 -2.82659 -23.6017 9.92995 -15.2491 9.94955 7.65503 TIMING: 4307800 CPU: 12938.5, 0.00305776/step Wall: 12938.5, 0.00305776/step, 0.58794 hours remaining, 207.273438 MB of memory in use. ENERGY: 4307800 731.0742 2102.7358 1946.6492 106.5116 -205973.0698 17787.5568 0.0000 0.0000 34341.0168 -148957.5255 299.9086 -183298.5423 -148862.8953 300.7307 13.0405 46.9964 557581.9569 -1.6055 -1.5496 PRESSURE: 4308000 -71.0217 -58.4142 17.4348 -58.4146 97.9374 -19.1665 17.4346 -19.1666 -247.666 GPRESSURE: 4308000 -50.9046 -57.5835 20.767 -93.3684 63.3085 -91.6592 46.1092 -0.370149 -133.55 PRESSAVG: 4308000 3.43291 28.7523 -34.3681 28.7522 14.8013 1.7666 -34.3681 1.76658 21.5352 GPRESSAVG: 4308000 3.04367 27.3636 -35.606 27.2375 15.0765 1.94685 -34.4406 1.34516 21.5166 TIMING: 4308000 CPU: 12939.1, 0.00306241/step Wall: 12939.1, 0.00306241/step, 0.588663 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: 4308000 761.0734 2116.1569 1951.5917 109.0835 -206128.8380 17908.0951 0.0000 0.0000 34356.0329 -148926.8044 300.0398 -183282.8373 -148826.6217 300.5778 -73.5833 -40.3821 558182.2105 13.2565 13.2122 PRESSURE: 4308200 -127.384 98.8614 -78.9823 98.8611 -173.524 52.6993 -78.9828 52.6987 -295.324 GPRESSURE: 4308200 -76.3804 105.399 -61.035 186.869 -169.483 78.0323 -44.1272 -4.23047 -259.024 PRESSAVG: 4308200 21.9098 -22.9009 10.9224 -22.9009 30.0669 -12.2092 10.9224 -12.2092 -52.1337 GPRESSAVG: 4308200 21.8161 -22.3995 10.4626 -21.2407 31.0347 -9.35461 11.932 -12.9266 -52.5798 TIMING: 4308200 CPU: 12939.7, 0.00305101/step Wall: 12939.7, 0.00305101/step, 0.586303 hours remaining, 207.273438 MB of memory in use. ENERGY: 4308200 780.9833 2150.5429 1941.8489 106.5474 -205804.5930 17671.3366 0.0000 0.0000 34432.8014 -148720.5325 300.7102 -183153.3339 -148622.9050 300.5031 -198.7439 -168.2958 558857.1930 -0.0523 0.0903 LDB: ============= START OF LOAD BALANCING ============== 12943.1 LDB: ============== END OF LOAD BALANCING =============== 12943.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12943.1 LDB: ============= START OF LOAD BALANCING ============== 12943.5 LDB: Largest compute 4820 load 0.023791 is 20.1% of average load 0.118162 LDB: Average compute 0.001728 is 1.5% of average load 0.118162 LDB: TIME 12943.5 LOAD: AVG 0.118162 MAX 0.218625 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.066 MB LDB: TIME 12943.5 LOAD: AVG 0.118162 MAX 0.218625 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.066 MB LDB: TIME 12943.5 LOAD: AVG 0.118162 MAX 0.218625 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.066 MB LDB: ============== END OF LOAD BALANCING =============== 12943.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12943.5 PRESSURE: 4308400 71.5241 -144.328 -90.7612 -144.326 -271.672 4.9507 -90.7613 4.94995 -181.138 GPRESSURE: 4308400 141.407 -210.538 -38.9783 -183.631 -282.377 93.3819 -89.4565 -43.9957 -135.254 PRESSAVG: 4308400 -95.898 -31.9536 6.84291 -31.9535 85.2266 8.73601 6.84284 8.73597 -13.7981 GPRESSAVG: 4308400 -95.7454 -32.4919 6.8322 -33.3089 84.4428 9.20465 8.36032 7.82634 -13.146 TIMING: 4308400 CPU: 12940.3, 0.00309955/step Wall: 12940.3, 0.00309955/step, 0.595458 hours remaining, 208.621094 MB of memory in use. ENERGY: 4308400 765.6977 2110.0537 1940.0083 105.5530 -205932.2602 17697.9739 0.0000 0.0000 34404.2937 -148908.6798 300.4613 -183312.9735 -148808.2756 300.4359 -127.0953 -92.0746 559929.3225 -8.1565 -8.1495 PRESSURE: 4308600 -36.6991 -43.5861 217.279 -43.5862 -74.3936 -14.5006 217.279 -14.5022 97.4952 GPRESSURE: 4308600 12.1415 0.399289 213.666 -62.7111 -47.0646 -20.9948 278.376 -79.6426 114.052 PRESSAVG: 4308600 92.2382 -32.8552 2.62502 -32.8552 -0.262785 -22.5952 2.62511 -22.5952 -58.8271 GPRESSAVG: 4308600 92.2511 -33.8646 5.15223 -31.5361 -0.43666 -25.0482 1.67031 -21.7814 -58.5777 TIMING: 4308600 CPU: 12940.9, 0.003073/step Wall: 12940.9, 0.003073/step, 0.590186 hours remaining, 208.691406 MB of memory in use. ENERGY: 4308600 758.0209 2109.8536 1944.2283 113.5986 -206075.7665 17885.6252 0.0000 0.0000 34252.6574 -149011.7826 299.1370 -183264.4400 -148908.9891 299.8954 -4.5325 26.3764 558655.0793 11.0494 11.0789 PRESSURE: 4308800 119.041 50.3558 163.837 50.3544 -297.557 50.0852 163.836 50.0854 -87.2035 GPRESSURE: 4308800 117.815 55.9627 143.913 52.5345 -233.748 22.4125 174.252 27.9719 -59.8994 PRESSAVG: 4308800 28.8943 10.3366 -5.09275 10.3366 -52.2992 -31.3539 -5.09294 -31.354 64.7879 GPRESSAVG: 4308800 27.8957 10.3592 -6.17031 12.4927 -50.3408 -31.3774 -6.21905 -29.6088 63.7338 TIMING: 4308800 CPU: 12941.6, 0.00304383/step Wall: 12941.6, 0.00304383/step, 0.584415 hours remaining, 208.894531 MB of memory in use. ENERGY: 4308800 750.6350 2091.4286 1952.4162 95.1839 -206021.4032 17658.0562 0.0000 0.0000 34278.4188 -149195.2644 299.3620 -183473.6832 -149107.4409 299.2559 -88.5732 -58.6109 558759.3528 13.7943 13.7629 PRESSURE: 4309000 -321.909 -81.3673 -43.6372 -81.3678 -71.4374 -27.3326 -43.6372 -27.3325 -126.666 GPRESSURE: 4309000 -258.974 -93.1672 14.3495 -0.746623 -55.582 5.54027 3.14142 -115.421 -113.728 PRESSAVG: 4309000 46.6288 -15.6425 -47.0912 -15.6425 -24.0279 -23.7383 -47.0913 -23.7383 -8.47941 GPRESSAVG: 4309000 48.7223 -14.7376 -48.5806 -17.154 -27.692 -23.2145 -47.3779 -25.2519 -7.52741 TIMING: 4309000 CPU: 12942.2, 0.00303671/step Wall: 12942.2, 0.00303671/step, 0.58288 hours remaining, 208.894531 MB of memory in use. ENERGY: 4309000 781.7909 2091.3543 1906.7030 109.3780 -205951.8486 17593.9154 0.0000 0.0000 34393.2392 -149075.4679 300.3647 -183468.7071 -148988.0512 299.1629 -173.3375 -142.7612 558922.5829 4.7072 4.5009 PRESSURE: 4309200 39.9114 204.934 66.1969 204.933 -399.279 -7.20889 66.1961 -7.20765 -86.6874 GPRESSURE: 4309200 121.234 134.448 72.9953 244.435 -342.188 -3.8451 77.6507 -3.77086 -121.457 PRESSAVG: 4309200 15.7156 -10.5317 -13.0872 -10.5318 -57.9487 11.0297 -13.0872 11.0296 52.029 GPRESSAVG: 4309200 15.6444 -9.16516 -12.3352 -9.71694 -57.3133 9.51473 -12.1598 12.5216 51.1148 TIMING: 4309200 CPU: 12942.8, 0.00304605/step Wall: 12942.8, 0.00304605/step, 0.584504 hours remaining, 208.894531 MB of memory in use. ENERGY: 4309200 762.1693 2139.8514 1960.5672 102.2406 -206117.1252 17728.7854 0.0000 0.0000 34305.3044 -149118.2068 299.5968 -183423.5113 -149023.5604 299.9060 -148.6851 -114.1368 557200.0332 3.2653 3.1486 PRESSURE: 4309400 17.051 170.737 -70.6475 170.737 -157.026 -29.1341 -70.6474 -29.136 -99.711 GPRESSURE: 4309400 54.9829 86.2511 -9.28559 168.507 -189.197 -59.203 -55.7211 9.74787 -13.0615 PRESSAVG: 4309400 27.2738 3.41822 -20.2951 3.41825 -26.9504 47.3183 -20.2951 47.3184 34.8442 GPRESSAVG: 4309400 26.1132 2.5643 -19.0177 1.60031 -25.3148 49.6906 -20.8423 45.6704 34.803 TIMING: 4309400 CPU: 12943.4, 0.00309008/step Wall: 12943.4, 0.00309008/step, 0.59278 hours remaining, 208.894531 MB of memory in use. ENERGY: 4309400 747.3290 2098.2890 1962.6086 107.2489 -205940.4507 17680.9976 0.0000 0.0000 34071.5459 -149272.4317 297.5553 -183343.9776 -149167.6755 299.3855 -79.8955 -49.0919 558585.4532 11.7226 11.8672 PRESSURE: 4309600 -344.395 -128.621 105.223 -128.621 -206.218 -21.0169 105.224 -21.0167 -146.477 GPRESSURE: 4309600 -292.345 -113.206 116.661 -140.063 -187.718 -66.7815 56.9634 36.2713 -109.911 PRESSAVG: 4309600 28.9801 22.1655 34.2569 22.1655 7.798 -15.912 34.257 -15.9121 4.25138 GPRESSAVG: 4309600 29.0005 21.9074 33.4327 23.9571 7.60728 -18.7274 34.5784 -15.3524 4.57678 TIMING: 4309600 CPU: 12944, 0.00310161/step Wall: 12944, 0.00310161/step, 0.59482 hours remaining, 208.894531 MB of memory in use. ENERGY: 4309600 765.4540 2100.2135 1921.9698 112.3428 -206184.9114 17592.0050 0.0000 0.0000 34337.3707 -149355.5559 299.8768 -183692.9265 -149258.0002 298.9546 -232.3635 -196.6579 557789.2893 13.6765 13.7282 PRESSURE: 4309800 -158.991 -24.8018 -322.33 -24.8014 -120.124 82.7498 -322.331 82.7495 -34.7786 GPRESSURE: 4309800 -102.568 24.283 -279.83 -37.1389 -99.0558 115.895 -283.17 83.9775 -14.3405 PRESSAVG: 4309800 -4.66241 38.8973 40.3377 38.8973 36.6273 35.2103 40.3377 35.2104 -50.7989 GPRESSAVG: 4309800 -5.49311 39.2197 41.8434 39.1205 35.9273 37.3287 39.9732 34.9397 -50.1371 TIMING: 4309800 CPU: 12944.6, 0.00310042/step Wall: 12944.6, 0.00310042/step, 0.59442 hours remaining, 208.894531 MB of memory in use. ENERGY: 4309800 762.3229 2060.5708 1947.0007 116.8983 -206271.7015 17759.1307 0.0000 0.0000 34251.9586 -149373.8195 299.1309 -183625.7781 -149272.5673 299.2203 -104.6313 -71.9879 556407.7328 -6.2780 -6.5676 PRESSURE: 4310000 -171.709 77.5927 -39.4167 77.5923 -319.187 111.479 -39.4174 111.48 -315.618 GPRESSURE: 4310000 -171.758 88.9617 -49.8012 110.975 -307.061 100.495 -7.09468 97.2948 -235.607 PRESSAVG: 4310000 29.4394 5.17452 -44.1581 5.17444 27.1019 12.1489 -44.158 12.149 -71.4873 GPRESSAVG: 4310000 29.6776 5.22968 -44.7329 4.55235 26.6614 10.7005 -44.1935 10.738 -71.269 TIMING: 4310000 CPU: 12945.2, 0.00306267/step Wall: 12945.2, 0.00306267/step, 0.587011 hours remaining, 208.894531 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: 4310000 741.3914 2079.1102 1919.6381 117.7143 -205676.4883 17325.2887 0.0000 0.0000 34051.2243 -149442.1214 297.3778 -183493.3458 -149349.3663 298.6497 -268.8383 -238.1422 557335.1466 -4.9820 -4.9767 PRESSURE: 4310200 -139.404 154.297 33.3265 154.297 -44.5618 47.946 33.328 47.9442 -24.2229 GPRESSURE: 4310200 -74.3753 207.519 97.6067 165.351 -38.6397 -26.1475 55.2423 159.792 9.48398 PRESSAVG: 4310200 -9.11224 28.1582 -23.2375 28.1581 35.0309 -11.7913 -23.2376 -11.7914 -40.9652 GPRESSAVG: 4310200 -8.831 28.4657 -24.5051 26.7657 36.2233 -9.69826 -21.9622 -11.516 -42.7562 TIMING: 4310200 CPU: 12945.9, 0.00307354/step Wall: 12945.9, 0.00307354/step, 0.588925 hours remaining, 208.894531 MB of memory in use. ENERGY: 4310200 796.6233 2093.2535 1940.4386 107.9328 -206358.5009 17808.9937 0.0000 0.0000 34326.1021 -149285.1569 299.7784 -183611.2590 -149186.9327 299.0442 -69.3962 -34.5103 557691.5057 -5.0155 -5.1213 PRESSURE: 4310400 -184.906 125.185 -57.6284 125.184 -165.261 88.4015 -57.6291 88.4006 -209.535 GPRESSURE: 4310400 -141.43 135.284 -130.306 153.169 -152.17 122.316 -21.6315 61.6725 -170.635 PRESSAVG: 4310400 50.088 8.51103 27.0003 8.51096 9.1923 4.64318 27.0003 4.64316 -38.3719 GPRESSAVG: 4310400 50.1403 9.47068 25.7707 10.8061 7.91509 5.16555 26.8359 4.80269 -37.4885 TIMING: 4310400 CPU: 12946.5, 0.00306376/step Wall: 12946.5, 0.00306376/step, 0.58688 hours remaining, 208.894531 MB of memory in use. ENERGY: 4310400 750.3126 2047.6083 1909.5578 106.2965 -205813.3733 17475.4188 0.0000 0.0000 34233.8728 -149290.3065 298.9729 -183524.1793 -149193.8454 299.2113 -186.5671 -154.7452 556571.9996 6.9695 6.8556 PRESSURE: 4310600 16.9599 7.47795 -10.2025 7.47731 -159.819 31.3747 -10.2034 31.375 -293.694 GPRESSURE: 4310600 75.8528 17.1105 -47.0605 0.655785 -163.051 23.0666 16.4126 -48.5517 -259.535 PRESSAVG: 4310600 -1.95736 -11.1543 -33.7207 -11.1543 -17.6317 -2.82069 -33.7206 -2.82072 39.8598 GPRESSAVG: 4310600 -2.61096 -12.0637 -33.1165 -12.4988 -17.3708 -4.90734 -33.5649 -1.29378 39.5885 TIMING: 4310600 CPU: 12947.1, 0.00306563/step Wall: 12947.1, 0.00306563/step, 0.587068 hours remaining, 208.894531 MB of memory in use. ENERGY: 4310600 744.0023 2113.2701 1939.8109 110.3908 -206138.7571 17789.1780 0.0000 0.0000 34232.0232 -149210.0818 298.9568 -183442.1050 -149114.4743 299.3206 -145.5178 -115.5778 559102.9146 6.7569 6.5356 PRESSURE: 4310800 -319.286 40.2759 -134.111 40.2777 -104.963 43.3924 -134.113 43.3918 -197.126 GPRESSURE: 4310800 -264.786 72.6787 -104.144 51.8965 -72.2716 24.0013 -175.75 107.424 -189.445 PRESSAVG: 4310800 17.4923 -2.70343 -71.5955 -2.70339 17.7375 31.8127 -71.5955 31.8127 -46.6954 GPRESSAVG: 4310800 18.0098 -2.94081 -70.7374 -1.3575 19.4551 31.9043 -71.1984 31.0995 -48.9117 TIMING: 4310800 CPU: 12947.7, 0.00305407/step Wall: 12947.7, 0.00305407/step, 0.584685 hours remaining, 208.894531 MB of memory in use. ENERGY: 4310800 704.7678 2075.4246 1931.5730 115.6041 -205646.9881 17447.2920 0.0000 0.0000 34128.1619 -149244.1649 298.0497 -183372.3267 -149151.5095 299.0540 -207.1250 -175.5009 557676.5795 -3.8218 -3.8156 PRESSURE: 4311000 -131.436 9.40665 54.9008 9.40658 -28.3986 118.346 54.9015 118.347 -282.413 GPRESSURE: 4311000 -142.104 23.0909 120.421 -5.4935 58.1873 115.739 17.9023 172.328 -260.305 PRESSAVG: 4311000 34.4116 5.80026 -15.7577 5.80021 29.6367 11.5037 -15.7577 11.5035 -29.7794 GPRESSAVG: 4311000 33.805 5.75406 -14.9822 7.31457 27.6539 10.6895 -15.1904 10.7057 -27.5353 TIMING: 4311000 CPU: 12948.3, 0.00303991/step Wall: 12948.3, 0.00303991/step, 0.581804 hours remaining, 208.894531 MB of memory in use. ENERGY: 4311000 762.6748 2080.9929 1939.2467 111.8568 -206306.3069 17713.1185 0.0000 0.0000 34355.8698 -149342.5475 300.0384 -183698.4173 -149246.6371 299.9213 -147.4159 -114.7407 556923.0369 11.4230 11.3079 PRESSURE: 4311200 198.743 -29.0117 -88.3551 -29.0112 -72.0783 -39.3168 -88.3552 -39.3158 -26.6796 GPRESSURE: 4311200 254.438 -27.1617 -132.725 5.72587 -93.7644 -70.3334 -159.799 6.20354 30.8874 PRESSAVG: 4311200 -46.0368 -8.12064 -1.67492 -8.12054 14.1243 24.4053 -1.67492 24.4053 24.2181 GPRESSAVG: 4311200 -44.4765 -5.87029 -1.10692 -11.4872 13.6422 25.8894 -4.04748 25.8538 22.7963 TIMING: 4311200 CPU: 12948.9, 0.00305415/step Wall: 12948.9, 0.00305415/step, 0.584361 hours remaining, 208.894531 MB of memory in use. ENERGY: 4311200 687.1401 2097.9975 1941.8761 122.4300 -206198.0141 17800.4186 0.0000 0.0000 34323.0757 -149225.0761 299.7520 -183548.1518 -149128.6780 299.7378 33.3284 63.8536 557363.8059 -2.5648 -2.6793 PRESSURE: 4311400 -37.7308 -252.539 -120.555 -252.539 -85.4742 -25.464 -120.555 -25.4654 -121.356 GPRESSURE: 4311400 -33.9785 -229.391 -91.0126 -279.773 -17.4355 10.3525 -68.9809 -82.1916 -89.9548 PRESSAVG: 4311400 -3.96828 6.33108 11.2896 6.3312 23.4895 -31.2955 11.2896 -31.2955 -1.34565 GPRESSAVG: 4311400 -4.57599 4.07618 6.22464 8.74084 23.6297 -33.3709 14.4193 -31.6893 -1.05407 TIMING: 4311400 CPU: 12949.5, 0.00306272/step Wall: 12949.5, 0.00306272/step, 0.585831 hours remaining, 208.894531 MB of memory in use. ENERGY: 4311400 705.7201 2042.2010 1927.4035 116.7980 -205836.1770 17484.3476 0.0000 0.0000 34368.9795 -149190.7273 300.1528 -183559.7068 -149093.1543 299.1916 -81.5204 -47.1230 557686.0382 6.0585 5.9999 PRESSURE: 4311600 368.958 -25.8188 -20.9236 -25.8197 14.3889 -181.995 -20.9218 -181.995 97.9038 GPRESSURE: 4311600 393.146 -4.15594 2.44787 -10.7995 -1.90976 -110.601 18.8169 -207.09 187.784 PRESSAVG: 4311600 -42.4824 -18.0086 60.4226 -18.0086 5.18315 -19.0729 60.4226 -19.073 57.786 GPRESSAVG: 4311600 -42.957 -16.6439 64.5423 -18.8718 4.92352 -19.871 58.8524 -19.3328 58.6552 TIMING: 4311600 CPU: 12950.1, 0.00305371/step Wall: 12950.1, 0.00305371/step, 0.583938 hours remaining, 208.894531 MB of memory in use. ENERGY: 4311600 746.0317 2075.6511 1917.8061 116.1375 -206577.9611 18125.5451 0.0000 0.0000 34422.6085 -149174.1812 300.6212 -183596.7897 -149077.7569 299.5026 160.4170 193.0070 556637.4770 6.8289 6.8739 PRESSURE: 4311800 -73.998 -86.5496 94.3796 -86.5501 31.4068 80.8728 94.379 80.872 100.309 GPRESSURE: 4311800 -4.19216 -167.569 123.199 -82.0116 -22.1708 51.8113 172.51 112.343 179.67 PRESSAVG: 4311800 23.7788 -11.6944 31.4399 -11.6944 -20.0007 2.6919 31.44 2.69184 15.7014 GPRESSAVG: 4311800 24.5366 -12.9014 30.9722 -12.0936 -18.7407 5.00125 31.6737 3.1138 13.4683 TIMING: 4311800 CPU: 12950.7, 0.00304881/step Wall: 12950.7, 0.00304881/step, 0.582831 hours remaining, 208.894531 MB of memory in use. ENERGY: 4311800 746.3099 2079.7425 1936.6813 112.8763 -206310.0700 17904.3086 0.0000 0.0000 34401.3056 -149128.8457 300.4352 -183530.1513 -149029.3852 299.6905 19.2392 51.1025 557683.0528 6.4932 6.4214 PRESSURE: 4312000 40.1591 -49.486 -39.9113 -49.486 262.452 146.965 -39.9125 146.963 233.847 GPRESSURE: 4312000 93.9162 -5.22435 -3.91319 -13.1614 309.355 158.941 14.642 149.559 232.451 PRESSAVG: 4312000 -26.6965 -17.2297 33.0266 -17.2297 -73.6933 13.8772 33.0265 13.8771 102.246 GPRESSAVG: 4312000 -26.8982 -16.6971 33.5949 -18.3887 -73.3428 12.7792 34.1715 14.6735 102.421 TIMING: 4312000 CPU: 12951.4, 0.00305173/step Wall: 12951.4, 0.00305173/step, 0.58322 hours remaining, 208.894531 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: 4312000 735.8687 2080.4667 1907.3366 112.1192 -206367.2495 18109.7531 0.0000 0.0000 34084.5725 -149337.1327 297.6690 -183421.7052 -149240.9673 299.2833 178.8195 211.9073 556758.9664 0.6187 0.7266 PRESSURE: 4312200 -149.265 -80.7539 -28.8304 -80.7542 91.3422 -5.38076 -28.8321 -5.38095 -72.9013 GPRESSURE: 4312200 -44.2771 1.40877 -104.626 -141.208 120.815 26.9504 -34.5034 -90.7522 -104.543 PRESSAVG: 4312200 -25.8998 -27.3546 79.6004 -27.3545 -10.6237 -45.3131 79.6004 -45.3131 36.5633 GPRESSAVG: 4312200 -26.1403 -26.241 78.1552 -25.6734 -12.0832 -44.5211 79.1212 -47.9322 37.746 TIMING: 4312200 CPU: 12952, 0.00305951/step Wall: 12952, 0.00305951/step, 0.584536 hours remaining, 208.894531 MB of memory in use. ENERGY: 4312200 746.1696 2083.8770 1953.2931 115.6986 -206075.2082 17892.8038 0.0000 0.0000 33868.7656 -149414.6006 295.7844 -183283.3662 -149321.4745 299.0951 -43.6081 -9.3350 558402.6204 0.0133 -0.1591 LDB: ============= START OF LOAD BALANCING ============== 12955.4 LDB: ============== END OF LOAD BALANCING =============== 12955.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12955.4 LDB: ============= START OF LOAD BALANCING ============== 12955.7 LDB: Largest compute 4820 load 0.023047 is 19.5% of average load 0.118254 LDB: Average compute 0.001721 is 1.5% of average load 0.118254 LDB: TIME 12955.7 LOAD: AVG 0.118254 MAX 0.221554 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.906 MB LDB: TIME 12955.7 LOAD: AVG 0.118254 MAX 0.221554 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.906 MB LDB: TIME 12955.7 LOAD: AVG 0.118254 MAX 0.221554 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.906 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12955.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12955.7 PRESSURE: 4312400 120.493 -83.6311 -41.191 -83.6313 30.8549 -63.3136 -41.1903 -63.3141 168.36 GPRESSURE: 4312400 98.9555 -86.5493 -115.086 -92.2319 108.223 -55.3133 -126.576 -139.95 217.089 PRESSAVG: 4312400 -69.9893 34.586 78.1692 34.5861 -41.2015 7.92266 78.1691 7.92267 85.1621 GPRESSAVG: 4312400 -71.1641 33.8139 78.2378 32.9847 -39.0065 7.98881 76.3455 11.4837 84.0644 TIMING: 4312400 CPU: 12952.6, 0.00311277/step Wall: 12952.6, 0.00311277/step, 0.594539 hours remaining, 208.421875 MB of memory in use. ENERGY: 4312400 728.4335 2155.7487 1913.8190 112.4979 -206625.9947 18124.7810 0.0000 0.0000 34170.6486 -149420.0660 298.4208 -183590.7146 -149324.9623 298.9357 106.5692 141.4226 557281.6518 -8.6762 -8.7021 PRESSURE: 4312600 -57.8806 20.4739 98.0459 20.4728 15.1217 1.12138 98.0473 1.12296 219.969 GPRESSURE: 4312600 12.452 2.93789 91.3617 -7.57404 27.2799 -49.0728 80.0126 -34.6582 232.93 PRESSAVG: 4312600 -54.9069 65.3049 -7.07453 65.3049 11.8195 -27.3273 -7.07454 -27.3272 42.9433 GPRESSAVG: 4312600 -53.798 65.8899 -5.41739 66.3089 9.90198 -27.5975 -5.32061 -28.7344 43.7829 TIMING: 4312600 CPU: 12953.2, 0.00307984/step Wall: 12953.2, 0.00307984/step, 0.588078 hours remaining, 208.621094 MB of memory in use. ENERGY: 4312600 797.1395 2111.5831 1939.4834 113.8118 -206813.2613 18242.8702 0.0000 0.0000 34203.6533 -149404.7201 298.7090 -183608.3734 -149304.3271 298.8690 59.0701 90.8874 558173.4352 -0.0480 -0.0377 PRESSURE: 4312800 -19.1309 218.64 -42.1277 218.639 -6.93778 131.091 -42.1277 131.091 119.86 GPRESSURE: 4312800 -27.7393 159.091 -17.6 262.132 -6.74126 99.8027 -32.955 105.571 210.356 PRESSAVG: 4312800 -32.0178 18.8312 -6.04013 18.8312 -12.2697 4.57342 -6.04007 4.57358 67.7788 GPRESSAVG: 4312800 -32.2431 17.9927 -7.36088 18.9401 -13.029 5.13026 -4.44166 3.6077 68.1408 TIMING: 4312800 CPU: 12953.8, 0.00307051/step Wall: 12953.8, 0.00307051/step, 0.586127 hours remaining, 208.621094 MB of memory in use. ENERGY: 4312800 746.3015 2185.4818 1983.7961 117.3746 -206597.0169 17998.1856 0.0000 0.0000 34106.2200 -149459.6574 297.8581 -183565.8774 -149357.7677 298.5840 31.2638 58.6253 557447.7087 7.8304 7.6229 PRESSURE: 4313000 -223.853 61.7122 -94.903 61.7115 -68.7321 -128.956 -94.9022 -128.955 -137.409 GPRESSURE: 4313000 -193.871 46.6836 -27.17 7.99466 -24.0731 -178.833 -201.105 -110.776 -111.658 PRESSAVG: 4313000 -21.6057 8.13399 11.0509 8.13401 -18.8332 -0.289809 11.0509 -0.289804 29.914 GPRESSAVG: 4313000 -21.5734 8.22412 9.95577 6.77068 -18.1912 -0.234287 8.51756 1.19573 28.9798 TIMING: 4313000 CPU: 12954.4, 0.00307583/step Wall: 12954.4, 0.00307583/step, 0.586971 hours remaining, 208.621094 MB of memory in use. ENERGY: 4313000 780.4752 2117.7217 1937.7126 105.8713 -206435.0941 17800.6460 0.0000 0.0000 34134.0403 -149558.6270 298.1011 -183692.6673 -149472.4580 298.3313 -143.3314 -109.8674 556899.8414 -3.5083 -3.5949 PRESSURE: 4313200 14.8641 -51.709 -73.6763 -51.7071 -157.225 56.3645 -73.677 56.3654 -52.2712 GPRESSURE: 4313200 34.6925 -124.223 -76.9979 -23.8213 -160.375 86.1664 -96.785 60.5207 16.5586 PRESSAVG: 4313200 16.4703 -21.5618 -22.106 -21.5618 12.873 -11.8839 -22.1061 -11.884 -17.2027 GPRESSAVG: 4313200 15.5049 -22.5462 -21.0413 -19.1431 13.2817 -12.9009 -18.9341 -11.6743 -17.0388 TIMING: 4313200 CPU: 12955.1, 0.00307476/step Wall: 12955.1, 0.00307476/step, 0.586595 hours remaining, 208.621094 MB of memory in use. ENERGY: 4313200 731.8878 2082.5327 1974.8891 125.3247 -206302.3209 17747.0150 0.0000 0.0000 34170.4055 -149470.2660 298.4187 -183640.6715 -149373.5226 298.8856 -64.8775 -36.3747 557729.1110 4.0469 3.9159 PRESSURE: 4313400 -1.42994 102.51 20.059 102.51 -146.005 -24.5258 20.0593 -24.5259 -100.559 GPRESSURE: 4313400 73.0675 127.497 -29.0522 205.651 -172.603 -47.7682 50.2538 -31.3857 -68.3656 PRESSAVG: 4313400 31.3563 33.2771 -41.0701 33.2771 -24.8587 0.107158 -41.0701 0.107127 8.37565 GPRESSAVG: 4313400 31.2534 34.6068 -41.3428 32.2175 -26.345 0.115674 -42.8053 0.703822 8.85926 TIMING: 4313400 CPU: 12955.7, 0.00309702/step Wall: 12955.7, 0.00309702/step, 0.59067 hours remaining, 208.621094 MB of memory in use. ENERGY: 4313400 726.6113 2069.7991 1946.9300 110.7248 -206023.2110 17572.9779 0.0000 0.0000 34026.5331 -149569.6349 297.1622 -183596.1680 -149466.3141 298.5797 -82.6647 -55.9670 558033.7951 4.9578 4.5892 PRESSURE: 4313600 68.7491 25.2637 78.6898 25.2621 13.2035 41.4336 78.6906 41.4328 -40.4691 GPRESSURE: 4313600 27.5637 -80.4853 111.457 19.0347 71.3962 17.5759 40.103 23.533 39.2349 PRESSAVG: 4313600 -12.9074 -28.4008 -14.0277 -28.4008 46.4559 23.8202 -14.0277 23.8202 -22.4322 GPRESSAVG: 4313600 -12.9681 -28.563 -11.5719 -28.9028 47.121 24.1515 -14.8495 22.2884 -22.7671 TIMING: 4313600 CPU: 12956.3, 0.00311502/step Wall: 12956.3, 0.00311502/step, 0.59393 hours remaining, 208.621094 MB of memory in use. ENERGY: 4313600 744.2385 2113.3512 1949.9090 119.9152 -206456.1704 17734.2353 0.0000 0.0000 33965.1003 -149829.4209 296.6257 -183794.5212 -149731.6325 297.8623 13.8278 46.0649 555718.7432 3.7054 3.7953 PRESSURE: 4313800 7.5812 -7.12649 -12.7719 -7.12835 -8.24792 -7.79502 -12.7709 -7.7969 -215.509 GPRESSURE: 4313800 65.0752 -38.7454 -15.9064 97.1241 -15.7021 60.0219 -1.46359 -66.094 -174.423 PRESSAVG: 4313800 -30.3602 19.9672 -19.1907 19.9672 27.3575 57.5699 -19.1907 57.5699 20.2411 GPRESSAVG: 4313800 -30.3173 21.5697 -19.8443 19.8032 27.2994 58.8853 -19.7475 57.0631 19.7204 TIMING: 4313800 CPU: 12956.9, 0.00307849/step Wall: 12956.9, 0.00307849/step, 0.586794 hours remaining, 208.621094 MB of memory in use. ENERGY: 4313800 771.2782 2089.2702 1931.3839 105.5210 -206282.7595 17781.0761 0.0000 0.0000 33876.4819 -149727.7483 295.8517 -183604.2302 -149635.6868 298.3773 -72.0586 -41.6834 556987.7509 5.7461 5.5675 PRESSURE: 4314000 -110.806 -38.2163 28.8072 -38.2167 114.411 75.9769 28.8064 75.9771 213.352 GPRESSURE: 4314000 -62.508 15.1207 -41.575 23.5566 114.64 72.6203 11.2723 98.1333 250.966 PRESSAVG: 4314000 45.3849 13.6962 -23.5942 13.6961 -33.1929 -6.14526 -23.5942 -6.14534 14.7061 GPRESSAVG: 4314000 46.0525 12.0777 -24.9686 15.3367 -33.5654 -6.68624 -21.2003 -6.18424 15.1009 TIMING: 4314000 CPU: 12957.5, 0.00308419/step Wall: 12957.5, 0.00308419/step, 0.587709 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: 4314000 754.1785 2042.7385 1949.2707 124.6929 -206619.2875 17824.7322 0.0000 0.0000 34104.7573 -149818.9174 297.8453 -183923.6747 -149719.6618 297.9102 72.3186 101.0324 554935.6751 8.9660 9.1960 PRESSURE: 4314200 -57.3827 -18.6527 119.588 -18.6538 -107.389 -47.6538 119.589 -47.6545 -43.611 GPRESSURE: 4314200 -62.4991 -55.2011 -15.0368 -35.8481 -92.2414 54.1407 111.047 -102.401 52.7518 PRESSAVG: 4314200 -2.3348 -22.2258 3.10933 -22.2258 -64.6504 46.6646 3.1093 46.6646 76.1247 GPRESSAVG: 4314200 -4.02772 -19.6107 1.7757 -24.2721 -64.7161 47.0888 3.37644 48.6205 77.61 TIMING: 4314200 CPU: 12958.1, 0.00306886/step Wall: 12958.1, 0.00306886/step, 0.584618 hours remaining, 208.621094 MB of memory in use. ENERGY: 4314200 757.9954 2104.8163 1953.6186 114.9425 -206299.2156 17831.8043 0.0000 0.0000 33976.4094 -149559.6290 296.7244 -183536.0384 -149465.0682 298.0926 -69.4608 -33.9962 558018.6171 3.0465 2.9554 PRESSURE: 4314400 -332.638 56.9413 -11.3186 56.9423 -266.516 53.9194 -11.3178 53.9187 -431.522 GPRESSURE: 4314400 -322.873 104.006 -35.1813 39.7702 -237.88 26.7542 15.7445 88.7297 -383.224 PRESSAVG: 4314400 -6.87392 3.23204 3.90095 3.23196 -22.2746 -3.37997 3.90095 -3.37994 62.874 GPRESSAVG: 4314400 -5.8851 0.863787 5.49589 5.06356 -21.4303 -3.31427 4.56155 -4.14045 60.4164 TIMING: 4314400 CPU: 12958.8, 0.00305855/step Wall: 12958.8, 0.00305855/step, 0.582483 hours remaining, 208.621094 MB of memory in use. ENERGY: 4314400 785.6223 2056.9411 1932.2516 127.4571 -206135.4481 17370.4893 0.0000 0.0000 34366.6937 -149495.9929 300.1329 -183862.6866 -149399.0095 298.0657 -343.5586 -314.6589 557903.2872 11.2418 11.0337 PRESSURE: 4314600 -45.5841 1.41796 -261.07 1.41672 77.7126 89.8805 -261.069 89.8801 204.249 GPRESSURE: 4314600 -22.0668 -31.1858 -325.46 14.6707 144.307 58.3437 -221.191 49.6484 220.236 PRESSAVG: 4314600 -21.4312 48.466 -21.6709 48.466 49.9086 68.247 -21.6708 68.247 -39.6232 GPRESSAVG: 4314600 -23.3913 47.6952 -22.0918 48.0699 50.1807 68.1689 -23.2017 67.3403 -38.4376 TIMING: 4314600 CPU: 12959.4, 0.00305567/step Wall: 12959.4, 0.00305567/step, 0.581766 hours remaining, 208.621094 MB of memory in use. ENERGY: 4314600 745.9635 2095.8666 1948.1398 110.7423 -206372.6538 17912.2971 0.0000 0.0000 34051.1080 -149508.5364 297.3768 -183559.6444 -149417.6357 298.2820 78.7927 114.1585 557068.5429 -3.7153 -3.8827 PRESSURE: 4314800 -171.654 81.638 101.738 81.6386 -35.5371 97.8059 101.737 97.8055 -272.447 GPRESSURE: 4314800 -90.6813 126.062 150.883 79.31 -48.3486 95.8983 78.7742 73.4213 -249.869 PRESSAVG: 4314800 33.7507 -4.05079 -42.9655 -4.05082 44.2519 -9.16833 -42.9656 -9.16847 -17.1655 GPRESSAVG: 4314800 33.6746 -1.89734 -42.5217 -4.41586 43.9582 -8.45372 -44.3381 -10.4286 -17.0048 TIMING: 4314800 CPU: 12960, 0.00304103/step Wall: 12960, 0.00304103/step, 0.57881 hours remaining, 208.621094 MB of memory in use. ENERGY: 4314800 770.7539 2069.2929 1927.4664 115.4715 -206114.2955 17640.3123 0.0000 0.0000 34149.2915 -149441.7070 298.2343 -183590.9985 -149342.1752 298.1865 -159.8792 -129.6330 557577.8923 20.2790 20.2093 PRESSURE: 4315000 -130.555 48.0763 8.36015 48.0773 -31.1416 -8.82071 8.35983 -8.82058 -157.861 GPRESSURE: 4315000 -113.513 1.23518 78.5798 -25.2446 8.93141 -120.413 -8.03562 106.237 -108.056 PRESSAVG: 4315000 12.8023 -20.2601 37.9476 -20.2601 -2.08278 37.042 37.9476 37.042 -15.6093 GPRESSAVG: 4315000 14.1271 -20.3214 39.9633 -19.8351 -2.79346 36.9857 37.6241 40.091 -15.9348 TIMING: 4315000 CPU: 12960.6, 0.0030336/step Wall: 12960.6, 0.0030336/step, 0.577227 hours remaining, 208.621094 MB of memory in use. ENERGY: 4315000 710.2387 2106.5485 1937.2491 118.1111 -206346.6359 17834.9487 0.0000 0.0000 34044.1661 -149595.3737 297.3162 -183639.5398 -149502.7010 298.8274 -106.5193 -70.8791 556949.3366 -1.6299 -1.5337 PRESSURE: 4315200 -55.9832 112.201 18.8363 112.2 -109.467 7.8001 18.836 7.80205 -6.5463 GPRESSURE: 4315200 10.3724 128.44 76.2749 90.2038 -66.3219 30.9793 -20.6488 31.613 -23.0897 PRESSAVG: 4315200 -3.72743 2.78387 8.21438 2.7839 40.6048 16.617 8.21433 16.6169 -3.49734 GPRESSAVG: 4315200 -3.54128 1.81031 8.20964 2.77959 40.1137 13.261 8.5731 16.248 -3.19813 TIMING: 4315200 CPU: 12961.2, 0.00306525/step Wall: 12961.2, 0.00306525/step, 0.583078 hours remaining, 208.621094 MB of memory in use. ENERGY: 4315200 752.9196 2036.4173 1933.5291 105.2208 -206455.2812 17822.4824 0.0000 0.0000 34154.9748 -149649.7372 298.2839 -183804.7119 -149551.0694 298.6779 -57.3320 -26.3464 557928.0439 11.1267 11.1248 PRESSURE: 4315400 130.44 11.5352 126.943 11.535 153.755 -217.12 126.944 -217.12 -37.5486 GPRESSURE: 4315400 190.253 -5.68858 -8.24843 -55.2562 231.907 -185.133 170.155 -235.119 -68.6439 PRESSAVG: 4315400 24.5587 8.57803 21.4358 8.57794 -16.8674 -75.5423 21.4358 -75.5423 2.13569 GPRESSAVG: 4315400 24.3847 8.54371 17.1022 8.16724 -15.8397 -73.1176 22.9693 -77.0428 1.56369 TIMING: 4315400 CPU: 12961.8, 0.00306586/step Wall: 12961.8, 0.00306586/step, 0.583024 hours remaining, 208.621094 MB of memory in use. ENERGY: 4315400 712.9207 2108.0211 1943.7696 109.5146 -206422.1038 17888.7402 0.0000 0.0000 34225.0183 -149434.1192 298.8956 -183659.1375 -149336.7150 298.7313 82.2156 117.8389 556485.0733 3.2756 3.3696 PRESSURE: 4315600 86.9684 87.0172 115.037 87.0187 -107.057 -90.4004 115.039 -90.3999 124.755 GPRESSURE: 4315600 94.1722 148.335 83.6185 -1.88026 -78.6842 -153.28 156.27 22.7788 189.834 PRESSAVG: 4315600 51.4195 -29.5452 21.7233 -29.5452 2.31508 -78.1062 21.7234 -78.1063 -36.2674 GPRESSAVG: 4315600 52.2679 -28.9507 22.7182 -29.5939 2.16028 -79.6599 21.8281 -76.998 -36.4982 TIMING: 4315600 CPU: 12962.4, 0.00305594/step Wall: 12962.4, 0.00305594/step, 0.580968 hours remaining, 208.621094 MB of memory in use. ENERGY: 4315600 751.6611 2067.2825 1943.7089 108.4885 -206241.5515 17892.9762 0.0000 0.0000 34214.4720 -149262.9623 298.8035 -183477.4343 -149168.0214 298.3833 34.8887 68.4407 557273.3428 5.8224 5.9767 PRESSURE: 4315800 -9.97713 116.823 -111.053 116.823 -185.578 22.6079 -111.053 22.6074 324.618 GPRESSURE: 4315800 -2.89344 123.456 -84.3842 54.9855 -141.029 23.3243 -35.418 -22.7742 370.413 PRESSAVG: 4315800 -37.4009 20.8216 -28.9749 20.8218 22.3299 20.3284 -28.975 20.3284 32.9623 GPRESSAVG: 4315800 -36.9656 18.4224 -27.9036 21.8527 22.8086 22.6141 -28.0514 18.0745 32.2204 TIMING: 4315800 CPU: 12963, 0.00306641/step Wall: 12963, 0.00306641/step, 0.582789 hours remaining, 208.621094 MB of memory in use. ENERGY: 4315800 711.2733 2184.1961 1944.9055 107.2841 -206266.1235 17846.8460 0.0000 0.0000 34153.3617 -149318.2566 298.2698 -183471.6183 -149227.1898 299.0073 43.0210 75.4968 556778.8649 5.9638 6.0211 PRESSURE: 4316000 144.584 -192.205 -102.28 -192.204 76.7659 2.20862 -102.278 2.20855 301.808 GPRESSURE: 4316000 161.138 -180.516 -119.105 -233.345 71.8951 11.2371 -90.6292 -34.6905 394.104 PRESSAVG: 4316000 20.2384 1.01051 -40.428 1.01057 27.0773 -39.9296 -40.428 -39.9297 -2.47934 GPRESSAVG: 4316000 20.1365 4.70243 -39.0925 -0.698228 26.354 -41.4519 -40.6282 -38.1318 -1.84562 TIMING: 4316000 CPU: 12963.6, 0.00308161/step Wall: 12963.6, 0.00308161/step, 0.585505 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: 4316000 748.1107 2050.4302 1933.2130 109.3813 -206652.0571 18129.2404 0.0000 0.0000 34309.4439 -149372.2377 299.6329 -183681.6815 -149273.2631 298.6721 174.3858 209.0456 556771.7054 14.9455 14.8816 PRESSURE: 4316200 -317.29 63.9268 -70.8766 63.926 -248.067 -112.36 -70.8766 -112.361 -85.1082 GPRESSURE: 4316200 -302.366 88.8819 -76.7381 -7.46668 -153.799 -77.3442 -102.926 -77.3751 -93.5592 PRESSAVG: 4316200 23.2951 -38.1982 -31.3084 -38.1981 -67.9018 9.39353 -31.3083 9.39341 -21.799 GPRESSAVG: 4316200 23.2658 -40.6897 -34.0407 -36.3817 -68.0567 9.67187 -31.3811 10.3292 -22.0055 TIMING: 4316200 CPU: 12964.3, 0.0030656/step Wall: 12964.3, 0.0030656/step, 0.582295 hours remaining, 208.621094 MB of memory in use. ENERGY: 4316200 752.7727 2109.3534 1928.8473 118.5065 -205858.7382 17446.0220 0.0000 0.0000 34233.7133 -149269.5231 298.9715 -183503.2364 -149175.8576 299.6805 -216.8217 -183.2412 557462.6039 -22.1352 -22.2655 LDB: ============= START OF LOAD BALANCING ============== 12967.7 LDB: ============== END OF LOAD BALANCING =============== 12967.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12967.7 LDB: ============= START OF LOAD BALANCING ============== 12968 LDB: Largest compute 4820 load 0.023530 is 19.9% of average load 0.118224 LDB: Average compute 0.001713 is 1.4% of average load 0.118224 LDB: TIME 12968 LOAD: AVG 0.118224 MAX 0.221159 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.652 MB LDB: TIME 12968 LOAD: AVG 0.118224 MAX 0.221159 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.715 MB LDB: TIME 12968 LOAD: AVG 0.118224 MAX 0.221159 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12968 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12968 PRESSURE: 4316400 84.6416 14.2091 19.8101 14.2074 309.347 -1.8192 19.8095 -1.81885 84.1775 GPRESSURE: 4316400 140.668 -45.0738 -15.1899 33.5805 339.242 75.1629 53.48 -15.15 113.933 PRESSAVG: 4316400 -15.3105 18.3109 -31.1703 18.3109 -30.2427 7.50507 -31.1703 7.50505 56.7224 GPRESSAVG: 4316400 -14.44 18.3545 -30.2772 16.9361 -31.0464 6.96007 -32.0978 7.17255 57.1026 TIMING: 4316400 CPU: 12964.9, 0.00316128/step Wall: 12964.9, 0.00316128/step, 0.600292 hours remaining, 208.425781 MB of memory in use. ENERGY: 4316400 757.6650 2062.8169 1941.3931 103.7889 -206879.8982 18181.3627 0.0000 0.0000 34312.5008 -149520.3708 299.6596 -183832.8716 -149418.7732 298.6156 159.3888 197.9477 556483.5117 3.7231 3.8721 PRESSURE: 4316600 81.5806 -174.63 22.3764 -174.629 -16.9392 -0.550471 22.3764 -0.549461 -214.955 GPRESSURE: 4316600 75.3411 -192.078 31.1309 -125.703 8.66221 14.7675 -3.54533 73.158 -126.22 PRESSAVG: 4316600 -14.3415 -31.6041 40.4251 -31.6041 47.8467 -21.5468 40.4251 -21.5469 -49.428 GPRESSAVG: 4316600 -15.4308 -31.3263 41.5295 -29.1047 48.5853 -19.9593 40.5451 -20.8382 -49.0094 TIMING: 4316600 CPU: 12965.5, 0.00306716/step Wall: 12965.5, 0.00306716/step, 0.582249 hours remaining, 208.425781 MB of memory in use. ENERGY: 4316600 739.9593 2124.0855 1939.0398 112.5461 -206292.5202 17837.3278 0.0000 0.0000 34166.2774 -149373.2843 298.3826 -183539.5618 -149273.7686 298.6892 -50.1047 -14.0723 557820.2141 -5.3076 -5.2850 PRESSURE: 4316800 -353.168 72.3742 -159.525 72.3735 -72.3556 -167.493 -159.524 -167.491 -166.171 GPRESSURE: 4316800 -317.184 88.3733 -161.979 142.853 -9.15496 -181.736 -92.4681 -130.302 -172.715 PRESSAVG: 4316800 96.7356 -25.2409 12.5141 -25.2408 5.29126 -5.93575 12.5141 -5.93576 -55.5796 GPRESSAVG: 4316800 96.7057 -26.0321 11.6984 -27.464 5.04281 -6.65785 11.6804 -7.79039 -55.538 TIMING: 4316800 CPU: 12966.1, 0.00310733/step Wall: 12966.1, 0.00310733/step, 0.589702 hours remaining, 208.425781 MB of memory in use. ENERGY: 4316800 767.6723 2087.5995 1941.6415 100.6599 -206097.1571 17552.2216 0.0000 0.0000 34377.3023 -149270.0601 300.2255 -183647.3623 -149180.7024 300.0787 -197.2316 -166.3514 557566.2135 15.4824 15.4035 PRESSURE: 4317000 157.61 -132.899 -39.8747 -132.899 -237.409 -165.43 -39.8739 -165.43 -146.518 GPRESSURE: 4317000 175.775 -81.3869 -139.01 -31.2582 -159.666 -164.565 -26.8327 -92.1919 -141.707 PRESSAVG: 4317000 18.3087 -33.9241 -64.7184 -33.924 -23.9389 -0.847419 -64.7184 -0.847418 38.0894 GPRESSAVG: 4317000 18.0096 -34.0636 -65.986 -31.7265 -23.3962 0.167813 -62.9617 1.55973 37.784 TIMING: 4317000 CPU: 12966.7, 0.00309451/step Wall: 12966.7, 0.00309451/step, 0.587097 hours remaining, 208.425781 MB of memory in use. ENERGY: 4317000 773.0086 2084.6878 1932.1195 123.1476 -206516.1812 17817.5759 0.0000 0.0000 34568.2591 -149217.3826 301.8932 -183785.6418 -149121.7658 299.5813 -75.4389 -41.8661 556812.2667 10.8197 10.7991 PRESSURE: 4317200 35.6616 103.748 -46.4242 103.749 116.547 95.469 -46.4236 95.4677 112.057 GPRESSURE: 4317200 44.3669 12.4752 -58.7011 186.138 124.003 -34.1113 -15.8079 200.942 181.663 PRESSAVG: 4317200 11.2973 -34.0036 -7.25118 -34.0036 12.0002 -51.5145 -7.25107 -51.5147 -12.6909 GPRESSAVG: 4317200 12.9844 -33.8779 -7.87937 -34.1803 10.9491 -53.511 -5.50233 -53.883 -13.1329 TIMING: 4317200 CPU: 12967.4, 0.00309935/step Wall: 12967.4, 0.00309935/step, 0.587844 hours remaining, 208.425781 MB of memory in use. ENERGY: 4317200 772.1736 2093.8449 1952.6120 106.5897 -206385.3674 17944.3357 0.0000 0.0000 34317.6589 -149198.1526 299.7047 -183515.8115 -149107.2179 299.5764 88.0885 116.6778 556109.4624 3.5356 3.6002 PRESSURE: 4317400 174.441 29.3205 -11.6204 29.3207 138.405 66.9524 -11.6216 66.9516 -77.2506 GPRESSURE: 4317400 195.776 -17.865 -59.0228 42.5123 198.79 169.058 -19.4462 26.5416 -68.6814 PRESSAVG: 4317400 13.6504 -13.5879 11.9577 -13.5878 42.8638 23.3473 11.9578 23.3474 -48.6959 GPRESSAVG: 4317400 12.4019 -15.6865 14.2469 -13.6375 43.5963 24.3394 9.6306 23.3353 -48.2408 TIMING: 4317400 CPU: 12968, 0.00306509/step Wall: 12968, 0.00306509/step, 0.581174 hours remaining, 208.425781 MB of memory in use. ENERGY: 4317400 760.4877 2099.3620 1953.4723 109.4013 -206109.9752 17720.4037 0.0000 0.0000 34274.1380 -149192.7102 299.3246 -183466.8482 -149096.5170 299.2619 78.5319 108.6281 556411.9960 2.6061 2.5858 PRESSURE: 4317600 -553.657 67.008 79.8616 67.0078 -16.8402 29.7282 79.8603 29.7293 47.2837 GPRESSURE: 4317600 -458.23 -1.05343 80.7819 103.382 -17.2789 41.4994 67.1503 61.3334 49.3721 PRESSAVG: 4317600 -125.876 5.20148 -32.7518 5.20149 138.825 19.1464 -32.7518 19.1463 -5.03393 GPRESSAVG: 4317600 -125.62 7.201 -34.2103 3.39611 138.209 20.4339 -32.6618 18.2558 -4.41616 TIMING: 4317600 CPU: 12968.6, 0.00310292/step Wall: 12968.6, 0.00310292/step, 0.588176 hours remaining, 208.425781 MB of memory in use. ENERGY: 4317600 751.1318 2150.5097 1957.1313 102.3332 -205825.6055 17417.2348 0.0000 0.0000 34316.2007 -149131.0640 299.6919 -183447.2647 -149041.9431 300.1133 -174.4045 -142.0454 556696.7316 2.6382 2.7244 PRESSURE: 4317800 -98.0542 -25.3576 -70.2647 -25.3581 -77.876 -38.2304 -70.265 -38.2312 -213.053 GPRESSURE: 4317800 -12.8732 11.4468 -46.2889 15.2388 -28.646 -53.3375 -59.9955 -14.4231 -245.742 PRESSAVG: 4317800 -40.6795 -35.7597 -40.0335 -35.7598 27.4201 36.0428 -40.0336 36.0429 25.1606 GPRESSAVG: 4317800 -39.9223 -33.2945 -38.5199 -36.3843 28.3979 34.1268 -41.0096 36.5556 23.1437 TIMING: 4317800 CPU: 12969.2, 0.00308344/step Wall: 12969.2, 0.00308344/step, 0.584312 hours remaining, 208.425781 MB of memory in use. ENERGY: 4317800 782.4444 2128.9375 1992.8802 120.0643 -205857.7230 17577.4814 0.0000 0.0000 34174.0667 -149081.8484 298.4506 -183255.9151 -148982.3607 300.0965 -129.6609 -95.7537 555706.3092 3.9671 3.8731 PRESSURE: 4318000 -308.638 155.347 175.008 155.347 -64.2362 111.836 175.008 111.837 20.8723 GPRESSURE: 4318000 -289.153 182.795 307.112 143.404 -69.6419 52.6715 74.6799 42.8265 108.708 PRESSAVG: 4318000 54.4458 -19.8965 18.6661 -19.8965 -20.462 0.796483 18.6662 0.796451 -31.6913 GPRESSAVG: 4318000 52.6416 -21.0075 19.492 -20.7042 -21.55 -0.859181 18.7909 3.04153 -28.5786 TIMING: 4318000 CPU: 12969.8, 0.0030597/step Wall: 12969.8, 0.0030597/step, 0.579644 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: 4318000 738.0156 2160.5214 1962.5598 114.6260 -206008.9521 17638.0465 0.0000 0.0000 34445.2850 -148949.8978 300.8192 -183395.1829 -148854.2131 300.4999 -117.3339 -83.3622 556965.4722 0.7642 0.8377 PRESSURE: 4318200 4.98444 -20.5834 -106.124 -20.5847 -113.169 0.0461667 -106.122 0.0437594 -114.805 GPRESSURE: 4318200 23.7276 -51.429 -163.483 12.779 -62.9909 -19.9759 -5.36252 36.0674 -85.9775 PRESSAVG: 4318200 53.5405 -6.24667 47.6962 -6.2466 -49.3025 -21.2686 47.6962 -21.2686 -40.8581 GPRESSAVG: 4318200 53.9477 -6.84587 49.1533 -4.79285 -48.4402 -20.1067 49.096 -22.6389 -42.5582 TIMING: 4318200 CPU: 12970.4, 0.00304566/step Wall: 12970.4, 0.00304566/step, 0.576815 hours remaining, 208.425781 MB of memory in use. ENERGY: 4318200 779.8942 2166.7987 1949.0044 115.3275 -206065.7699 17800.4619 0.0000 0.0000 34530.4159 -148723.8674 301.5627 -183254.2834 -148631.9558 300.7671 -74.3299 -41.7469 558254.7298 -12.2067 -12.3502 PRESSURE: 4318400 -131.29 -69.1649 43.4922 -69.164 -177.009 -56.0018 43.492 -56.0011 -34.5454 GPRESSURE: 4318400 -105.436 -124.369 138.881 -56.8454 -151.902 -59.2264 -7.0653 -96.8741 -10.3408 PRESSAVG: 4318400 29.5826 -16.5981 14.9363 -16.5981 -63.6557 15.5105 14.9364 15.5106 13.2549 GPRESSAVG: 4318400 30.3387 -16.6222 13.6487 -15.8721 -64.1385 18.2854 13.1756 12.5097 13.4154 TIMING: 4318400 CPU: 12971, 0.00306226/step Wall: 12971, 0.00306226/step, 0.579788 hours remaining, 208.425781 MB of memory in use. ENERGY: 4318400 788.8187 2119.1303 1964.9223 99.2196 -205727.0332 17468.6077 0.0000 0.0000 34415.4235 -148870.9111 300.5585 -183286.3346 -148766.9790 301.3633 -114.2813 -89.2265 558435.3635 -6.9394 -6.7948 PRESSURE: 4318600 82.8125 19.2685 76.5719 19.2694 -136.761 -19.501 76.5718 -19.5019 -320.74 GPRESSURE: 4318600 125.551 0.757856 38.5633 -20.6021 -83.9691 -30.4301 112.624 -14.9349 -307.968 PRESSAVG: 4318600 -5.67697 -15.2759 -8.4141 -15.2759 -35.1216 -11.2365 -8.41406 -11.2366 13.8604 GPRESSAVG: 4318600 -7.41762 -15.3752 -7.46071 -16.2767 -34.3986 -11.4534 -5.95643 -7.95873 15.1158 TIMING: 4318600 CPU: 12971.7, 0.00306277/step Wall: 12971.7, 0.00306277/step, 0.579713 hours remaining, 208.425781 MB of memory in use. ENERGY: 4318600 769.0709 2104.7389 1941.2756 104.6305 -205894.5835 17734.7566 0.0000 0.0000 34406.3564 -148833.7545 300.4793 -183240.1109 -148738.1191 301.0039 -124.8961 -88.7953 559085.8788 -8.9794 -8.9001 PRESSURE: 4318800 -82.1937 13.2082 -198.346 13.2105 -112.584 94.7971 -198.346 94.7978 -69.8561 GPRESSURE: 4318800 9.15628 -20.6321 -205.097 31.8875 -125.789 87.4178 -185.414 -19.3359 -48.0054 PRESSAVG: 4318800 31.356 -9.81793 31.2468 -9.8179 -49.7476 27.4714 31.2467 27.4714 -8.31281 GPRESSAVG: 4318800 33.7571 -8.9033 29.174 -9.58546 -50.3135 27.1313 31.0897 26.7775 -9.80717 TIMING: 4318800 CPU: 12972.3, 0.00305699/step Wall: 12972.3, 0.00305699/step, 0.578451 hours remaining, 208.425781 MB of memory in use. ENERGY: 4318800 747.0069 2148.2566 1956.9309 113.4504 -205833.2251 17519.4715 0.0000 0.0000 34465.3370 -148882.7718 300.9944 -183348.1088 -148784.9919 300.7761 -88.2114 -54.8794 556999.5841 -8.9015 -8.7879 PRESSURE: 4319000 -138.286 -62.5299 15.8068 -62.5283 -140.613 89.8022 15.8077 89.802 -209.341 GPRESSURE: 4319000 -143.687 -5.82692 -7.14058 -76.9748 -89.959 201.511 8.42968 14.7886 -178.485 PRESSAVG: 4319000 -38.3676 64.2957 3.48071 64.2957 21.4682 23.0278 3.48067 23.0278 1.85963 GPRESSAVG: 4319000 -39.9236 63.0271 6.43285 66.3387 20.6932 22.974 3.27529 23.2572 3.35754 TIMING: 4319000 CPU: 12972.9, 0.00306717/step Wall: 12972.9, 0.00306717/step, 0.580206 hours remaining, 208.425781 MB of memory in use. ENERGY: 4319000 744.0414 2138.4323 1919.4285 108.4219 -205864.7244 17591.6176 0.0000 0.0000 34413.3925 -148949.3902 300.5407 -183362.7827 -148845.1024 300.6301 -162.7466 -137.3769 558680.2399 -5.0133 -5.2909 PRESSURE: 4319200 -78.3764 270.792 76.0702 270.792 -112.126 -56.3622 76.0701 -56.3641 135.364 GPRESSURE: 4319200 -15.7516 260.69 40.1848 253.237 -67.8035 -91.534 158.042 -13.8965 130.096 PRESSAVG: 4319200 -6.19905 80.7998 21.733 80.7996 -25.7512 -7.77391 21.733 -7.77401 52.2918 GPRESSAVG: 4319200 -6.41835 82.5935 19.3026 78.6453 -24.1613 -10.2205 22.7872 -6.42644 51.0921 TIMING: 4319200 CPU: 12973.5, 0.00306659/step Wall: 12973.5, 0.00306659/step, 0.579927 hours remaining, 208.425781 MB of memory in use. ENERGY: 4319200 763.9141 2099.6224 1935.6367 110.8861 -206043.4748 17854.1613 0.0000 0.0000 34445.2993 -148833.9549 300.8194 -183279.2542 -148736.3919 300.1614 -18.3794 15.5136 556434.0317 6.7805 6.8375 PRESSURE: 4319400 44.6355 92.1943 -107.502 92.1931 86.9629 -40.1277 -107.503 -40.1272 54.6216 GPRESSURE: 4319400 128.44 101.829 -50.1067 57.8621 111.55 -10.4806 -128.231 3.52218 43.5434 PRESSAVG: 4319400 19.5339 25.0315 -10.5094 25.0314 -99.9189 69.2169 -10.5094 69.2169 66.0344 GPRESSAVG: 4319400 21.2381 25.1101 -7.57251 23.8595 -100.561 72.4808 -11.6626 66.3276 64.6069 TIMING: 4319400 CPU: 12974.1, 0.00307751/step Wall: 12974.1, 0.00307751/step, 0.581821 hours remaining, 208.425781 MB of memory in use. ENERGY: 4319400 775.4914 2109.0312 1929.8337 106.7191 -205966.0156 17843.3669 0.0000 0.0000 34462.1574 -148739.4159 300.9666 -183201.5733 -148647.1521 300.2016 62.0733 94.5111 557301.5430 -4.7835 -4.9054 PRESSURE: 4319600 -7.27277 -44.8206 209.523 -44.8211 -410.295 25.033 209.522 25.0325 -256.416 GPRESSURE: 4319600 21.7503 -71.8443 235.158 -23.3538 -386.955 38.4491 173.153 91.5688 -205.833 PRESSAVG: 4319600 57.4775 4.22834 42.2948 4.22838 -39.7847 -50.5705 42.2949 -50.5705 28.6227 GPRESSAVG: 4319600 55.6026 1.65926 39.9723 7.0178 -39.8276 -50.6692 43.4519 -48.0513 30.2178 TIMING: 4319600 CPU: 12974.7, 0.00308708/step Wall: 12974.7, 0.00308708/step, 0.583459 hours remaining, 208.425781 MB of memory in use. ENERGY: 4319600 788.9284 2122.7899 1927.9493 109.1398 -205354.4380 17405.1714 0.0000 0.0000 34223.0448 -148777.4145 298.8784 -183000.4592 -148674.0397 300.8782 -224.6614 -190.3459 558829.5659 15.4385 15.3309 PRESSURE: 4319800 -283.439 17.2621 45.5096 17.2624 -120.967 30.1164 45.5108 30.1152 -484.039 GPRESSURE: 4319800 -254.37 -55.2876 42.7514 69.5448 -88.1222 104.723 114.316 -14.3198 -444.794 PRESSAVG: 4319800 42.3199 13.1704 45.6234 13.1703 -60.9749 8.8559 45.6236 8.85577 13.6026 GPRESSAVG: 4319800 42.554 14.0465 47.0756 11.7906 -62.2411 9.02354 42.3208 7.98237 14.4073 TIMING: 4319800 CPU: 12975.3, 0.00306924/step Wall: 12975.3, 0.00306924/step, 0.579916 hours remaining, 208.425781 MB of memory in use. ENERGY: 4319800 764.8334 2111.8805 1921.0337 126.9633 -205585.2780 17363.3902 0.0000 0.0000 34398.6158 -148898.5610 300.4117 -183297.1768 -148797.2424 300.0989 -296.1483 -262.4289 559036.5063 -1.6841 -1.7600 PRESSURE: 4320000 75.5317 -15.9664 -20.2012 -15.9673 212.639 -17.3188 -20.2012 -17.319 185.753 GPRESSURE: 4320000 97.1999 51.1246 13.4819 -1.59606 247.353 -6.57789 -54.4677 11.2099 223.863 PRESSAVG: 4320000 -23.8443 2.2954 -13.3771 2.29547 30.9511 -50.6784 -13.3771 -50.6783 31.5745 GPRESSAVG: 4320000 -23.851 2.08985 -14.4954 3.17863 32.1003 -51.3244 -11.6392 -51.7425 30.6161 TIMING: 4320000 CPU: 12976, 0.00304114/step Wall: 12976, 0.00304114/step, 0.574438 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: 4320000 759.3336 2105.8597 1925.3902 121.0791 -205889.8323 17885.2534 0.0000 0.0000 34386.7251 -148706.1911 300.3078 -183092.9162 -148609.5861 299.9248 157.9747 189.4720 556545.3110 12.8938 12.9551 PRESSURE: 4320200 -109.838 61.1165 100.344 61.1169 72.3142 -119.846 100.344 -119.848 -75.8868 GPRESSURE: 4320200 -24.5867 111.787 44.619 39.9361 68.663 -185.512 51.6851 16.1644 -72.9609 PRESSAVG: 4320200 -89.9634 -4.48858 -27.0428 -4.48849 98.8864 -47.6345 -27.0428 -47.6345 -39.2454 GPRESSAVG: 4320200 -89.7343 -2.00198 -25.594 -6.06957 98.729 -47.8383 -25.476 -45.6861 -39.1931 TIMING: 4320200 CPU: 12976.6, 0.00304063/step Wall: 12976.6, 0.00304063/step, 0.574173 hours remaining, 208.425781 MB of memory in use. ENERGY: 4320200 762.3048 2131.4548 1923.0581 112.0555 -205786.7912 17681.5074 0.0000 0.0000 34482.7289 -148693.6816 301.1462 -183176.4105 -148598.2959 300.1028 -37.8033 -9.6282 556985.7986 -10.1075 -10.0661 LDB: ============= START OF LOAD BALANCING ============== 12980 LDB: ============== END OF LOAD BALANCING =============== 12980 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12980 LDB: ============= START OF LOAD BALANCING ============== 12980.3 LDB: Largest compute 4820 load 0.021786 is 18.4% of average load 0.118134 LDB: Average compute 0.001713 is 1.5% of average load 0.118134 LDB: TIME 12980.3 LOAD: AVG 0.118134 MAX 0.219813 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.262 MB LDB: TIME 12980.3 LOAD: AVG 0.118134 MAX 0.219813 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: TIME 12980.3 LOAD: AVG 0.118134 MAX 0.219813 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12980.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12980.3 PRESSURE: 4320400 95.7427 -93.8015 38.6619 -93.8015 155.789 -15.6329 38.6627 -15.6328 140.165 GPRESSURE: 4320400 103.737 -81.3503 46.478 -95.544 145.274 88.7839 69.1539 -76.8164 239.75 PRESSAVG: 4320400 -16.1513 3.24421 0.648296 3.24419 62.9637 -2.24372 0.648314 -2.24372 -33.3099 GPRESSAVG: 4320400 -16.2454 1.84265 -0.0964206 3.47882 61.8283 -2.09814 0.986643 -2.91107 -31.7391 TIMING: 4320400 CPU: 12977.2, 0.00311691/step Wall: 12977.2, 0.0031169/step, 0.588402 hours remaining, 207.585938 MB of memory in use. ENERGY: 4320400 691.9057 2100.8587 1963.1774 109.1869 -205559.9291 17717.5439 0.0000 0.0000 34251.5271 -148725.7293 299.1271 -182977.2563 -148621.3142 301.0418 130.5656 162.9204 557569.0714 4.5008 4.6146 PRESSURE: 4320600 -11.7157 36.8756 -56.2515 36.8763 -29.9565 -112.437 -56.2525 -112.438 -202.101 GPRESSURE: 4320600 22.2297 -40.3345 -62.9364 58.0415 20.5378 -120.56 -23.5989 -125.138 -189.269 PRESSAVG: 4320600 21.6561 -20.1306 -17.3113 -20.1306 56.7041 -12.6681 -17.3113 -12.6681 -41.7532 GPRESSAVG: 4320600 21.7759 -18.8459 -17.3001 -21.358 57.391 -13.0376 -17.2779 -12.14 -42.6478 TIMING: 4320600 CPU: 12977.8, 0.0030611/step Wall: 12977.8, 0.0030611/step, 0.577697 hours remaining, 207.789062 MB of memory in use. ENERGY: 4320600 722.4139 2175.5899 1915.2317 105.2737 -205763.1182 17613.1584 0.0000 0.0000 34396.5003 -148834.9503 300.3932 -183231.4506 -148729.9368 300.3069 -81.2577 -48.8337 557328.9630 12.2023 12.1730 PRESSURE: 4320800 -153.869 -90.8468 2.72711 -90.847 22.0869 16.0506 2.72636 16.0495 95.2461 GPRESSURE: 4320800 -148.796 -70.6678 -31.698 -58.5556 104.888 54.976 41.4596 -21.714 98.173 PRESSAVG: 4320800 -101.462 35.379 38.6682 35.3791 68.4796 -7.22787 38.6681 -7.22783 33.0248 GPRESSAVG: 4320800 -100.858 34.6144 39.1382 35.9299 68.3153 -5.97237 37.5433 -9.24448 32.8541 TIMING: 4320800 CPU: 12978.4, 0.00305518/step Wall: 12978.4, 0.00305519/step, 0.576412 hours remaining, 207.789062 MB of memory in use. ENERGY: 4320800 734.8545 2038.7521 1962.2999 107.4642 -206030.4560 17776.9850 0.0000 0.0000 34483.0899 -148927.0103 301.1494 -183410.1002 -148828.1073 300.2421 -12.1787 18.0883 558502.3848 0.0141 0.1037 PRESSURE: 4321000 -321.888 50.3743 67.0772 50.3743 -154.255 -104.692 67.0757 -104.692 4.90536 GPRESSURE: 4321000 -228.728 10.0287 80.9135 50.5902 -112.258 -80.5335 75.2847 -72.1092 -40.1567 PRESSAVG: 4321000 -115.121 -6.03977 10.9669 -6.03964 78.3328 -34.0893 10.9668 -34.0895 -6.59617 GPRESSAVG: 4321000 -115.8 -6.57251 9.02876 -2.97978 78.2402 -37.3531 7.7904 -32.2398 -6.02426 TIMING: 4321000 CPU: 12979, 0.00307898/step Wall: 12979, 0.00307898/step, 0.58073 hours remaining, 207.789062 MB of memory in use. ENERGY: 4321000 713.1855 2122.8377 1929.1296 127.4597 -205593.8951 17405.8185 0.0000 0.0000 34410.7643 -148884.6997 300.5178 -183295.4641 -148793.3216 300.1439 -157.0792 -127.0474 558660.6729 -14.4614 -14.5281 PRESSURE: 4321200 -183.617 -20.2453 -77.8608 -20.245 -151.342 -89.7004 -77.8617 -89.6982 -105.726 GPRESSURE: 4321200 -154.488 94.3236 -131.118 -97.1389 -126.517 -115.6 25.1315 -37.8217 -50.9904 PRESSAVG: 4321200 -48.3822 -17.9853 -2.6725 -17.9854 31.7328 -66.2079 -2.67253 -66.2079 11.5632 GPRESSAVG: 4321200 -48.3418 -16.7348 -2.42639 -19.5484 31.9961 -64.5128 0.10928 -68.3296 10.8736 TIMING: 4321200 CPU: 12979.6, 0.00309599/step Wall: 12979.6, 0.00309599/step, 0.583765 hours remaining, 207.789062 MB of memory in use. ENERGY: 4321200 755.6285 2091.1748 1913.2136 113.0514 -205715.8364 17549.3962 0.0000 0.0000 34336.3727 -148956.9993 299.8681 -183293.3720 -148862.4044 299.9308 -146.8949 -110.6651 557441.5965 -1.6954 -1.8241 PRESSURE: 4321400 -125.267 -109.141 -24.8359 -109.141 -326.577 -51.4054 -24.836 -51.4066 -52.1424 GPRESSURE: 4321400 -191.629 -61.5982 -10.8076 -50.3794 -182.29 -57.6325 -8.11278 -13.1102 -37.0586 PRESSAVG: 4321400 -11.1316 -7.96604 -64.1259 -7.96601 -24.9237 -36.5815 -64.1259 -36.5815 36.2737 GPRESSAVG: 4321400 -11.684 -9.14475 -64.09 -9.69876 -24.1483 -37.1139 -66.4419 -36.0031 35.9527 TIMING: 4321400 CPU: 12980.3, 0.00305905/step Wall: 12980.3, 0.00305905/step, 0.576631 hours remaining, 207.789062 MB of memory in use. ENERGY: 4321400 766.6104 2067.8149 1941.9714 118.0315 -205863.2503 17528.7012 0.0000 0.0000 34345.1874 -149094.9335 299.9451 -183440.1209 -149002.4370 299.8923 -167.9957 -136.9927 557532.5120 0.0728 0.0401 PRESSURE: 4321600 139.437 -110.489 -32.7718 -110.489 -84.7518 -9.72107 -32.7726 -9.72171 95.582 GPRESSURE: 4321600 224.273 -218.995 -59.1271 -112.18 -55.4482 -17.2438 -13.5276 -37.5358 88.4274 PRESSAVG: 4321600 -46.5566 -24.1189 -30.1412 -24.1188 33.7599 -30.8628 -30.141 -30.8629 24.062 GPRESSAVG: 4321600 -46.1023 -23.4366 -29.6715 -24.3815 33.6827 -32.2767 -30.1235 -29.7428 23.6196 TIMING: 4321600 CPU: 12980.9, 0.00307876/step Wall: 12980.9, 0.00307876/step, 0.580174 hours remaining, 207.992188 MB of memory in use. ENERGY: 4321600 770.8524 2106.1800 1975.0175 107.0740 -206449.8924 17963.5249 0.0000 0.0000 34307.8482 -149219.3954 299.6190 -183527.2436 -149136.7379 299.7614 50.0892 85.7506 556628.2818 3.7551 3.7333 PRESSURE: 4321800 -87.8199 -121.152 6.99343 -121.153 38.9389 -147.029 6.99404 -147.029 -186.426 GPRESSURE: 4321800 -58.4313 -99.9279 60.1343 -37.1276 102.272 -123.417 -43.3536 -235.343 -193.908 PRESSAVG: 4321800 -13.9033 -54.0404 13.2056 -54.0404 25.6995 -56.9243 13.2056 -56.9242 44.5068 GPRESSAVG: 4321800 -14.1695 -55.3882 14.1425 -52.6269 26.3051 -53.3184 14.4891 -57.4562 44.5733 TIMING: 4321800 CPU: 12981.5, 0.0030556/step Wall: 12981.5, 0.0030556/step, 0.575642 hours remaining, 207.992188 MB of memory in use. ENERGY: 4321800 774.2539 2087.8615 1948.8181 107.0354 -206235.0330 17786.7071 0.0000 0.0000 34281.9214 -149248.4356 299.3925 -183530.3570 -149155.2331 299.3218 -78.4357 -50.0226 558772.1662 18.7677 18.9030 PRESSURE: 4322000 218.497 -74.683 59.3747 -74.6833 207.507 -6.83029 59.3756 -6.83175 97.9495 GPRESSURE: 4322000 298.342 -23.4069 75.1777 -95.1515 198.667 38.708 53.4062 49.634 127.542 PRESSAVG: 4322000 -27.8254 -19.1575 -38.3086 -19.1576 79.1004 -8.28727 -38.3086 -8.28731 -61.9991 GPRESSAVG: 4322000 -27.6505 -18.5065 -39.4233 -18.1507 78.8383 -8.45872 -37.9507 -8.35641 -61.0862 TIMING: 4322000 CPU: 12982.1, 0.00305005/step Wall: 12982.1, 0.00305005/step, 0.574427 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: 4322000 757.5326 2083.6907 1943.0401 107.6183 -206594.2251 18068.4925 0.0000 0.0000 34386.9370 -149246.9139 300.3097 -183633.8509 -149150.5190 299.3800 174.6514 208.1840 557095.5661 -3.5747 -3.2995 PRESSURE: 4322200 -334.488 138.861 7.55839 138.862 -317.756 -97.1743 7.55872 -97.1737 -527.696 GPRESSURE: 4322200 -327.333 85.892 65.645 144.921 -261.4 -191.664 -18.1279 -6.83241 -490.602 PRESSAVG: 4322200 -2.38412 -20.9601 22.5967 -20.9601 27.3701 68.7078 22.5967 68.7077 -10.6508 GPRESSAVG: 4322200 -2.78643 -21.8901 23.7362 -20.4505 27.803 67.0642 21.9284 68.2178 -10.4302 TIMING: 4322200 CPU: 12982.7, 0.00302834/step Wall: 12982.7, 0.00302834/step, 0.570169 hours remaining, 207.992188 MB of memory in use. ENERGY: 4322200 759.2233 2106.2066 1917.0322 114.4761 -205609.6859 17158.8707 0.0000 0.0000 34315.1098 -149238.7670 299.6824 -183553.8769 -149135.5582 299.6840 -393.3134 -359.7783 558861.6538 4.7784 4.8621 PRESSURE: 4322400 -275.902 8.30075 -176.799 8.30203 -68.9655 14.4902 -176.799 14.4909 -37.2177 GPRESSURE: 4322400 -225.737 -10.0528 -101.277 133.068 -44.6181 52.165 -192.782 5.98998 -15.1212 PRESSAVG: 4322400 -66.0793 18.3763 29.8812 18.3763 9.46035 52.0667 29.8812 52.0667 35.6735 GPRESSAVG: 4322400 -66.0494 19.4905 29.1592 16.3019 10.2908 54.704 29.0078 51.6792 34.4283 TIMING: 4322400 CPU: 12983.3, 0.00302588/step Wall: 12983.3, 0.00302588/step, 0.569538 hours remaining, 207.992188 MB of memory in use. ENERGY: 4322400 766.7210 2115.7374 1947.5793 110.8584 -205935.2122 17719.8333 0.0000 0.0000 34045.5420 -149228.9409 297.3282 -183274.4828 -149133.2030 298.5831 -127.3616 -95.1587 556568.9102 -6.9818 -7.1101 PRESSURE: 4322600 137.367 6.54013 -39.8567 6.53926 6.19066 163.857 -39.8561 163.857 72.5348 GPRESSURE: 4322600 196.137 -16.3079 29.6925 93.5606 26.5788 249.078 -40.9466 131.565 94.8963 PRESSAVG: 4322600 -18.8431 -15.1086 -2.24136 -15.1085 38.2151 38.9122 -2.24132 38.9122 16.4582 GPRESSAVG: 4322600 -18.4756 -14.6732 -1.92868 -15.0726 37.7054 37.8712 -1.5719 37.7566 16.9483 TIMING: 4322600 CPU: 12983.9, 0.00303901/step Wall: 12983.9, 0.00303901/step, 0.571841 hours remaining, 207.992188 MB of memory in use. ENERGY: 4322600 751.2197 2132.3290 1928.7776 113.6635 -206355.0981 17885.2876 0.0000 0.0000 34350.2016 -149193.6192 299.9889 -183543.8208 -149095.1424 299.6414 72.0309 105.8709 555992.0260 11.9434 12.0594 PRESSURE: 4322800 164.058 32.7256 179.223 32.7263 65.554 56.8115 179.225 56.8115 22.4773 GPRESSURE: 4322800 217.629 29.9469 202.964 40.8273 63.2808 77.7789 139.151 77.3412 58.558 PRESSAVG: 4322800 -0.350081 -70.1691 4.81176 -70.1692 -8.86387 -2.75485 4.81182 -2.75488 -40.7233 GPRESSAVG: 4322800 -2.75301 -68.7735 3.81344 -69.1689 -8.24096 -2.10137 4.82787 -1.19815 -39.3385 TIMING: 4322800 CPU: 12984.5, 0.00301211/step Wall: 12984.5, 0.00301211/step, 0.566611 hours remaining, 207.992188 MB of memory in use. ENERGY: 4322800 795.8557 2120.1222 1935.8894 96.0561 -206547.7135 17975.5650 0.0000 0.0000 34423.0548 -149201.1703 300.6251 -183624.2251 -149109.5068 299.6466 84.0296 113.1560 556620.4402 -16.6458 -16.7775 PRESSURE: 4323000 -50.1761 13.9888 189.928 13.9892 -73.145 3.28007 189.927 3.28048 -58.2705 GPRESSURE: 4323000 -15.461 25.823 205.249 -28.602 -20.7923 4.03337 265.918 71.2763 -41.6417 PRESSAVG: 4323000 -20.2909 -8.87954 32.4929 -8.87957 32.3406 33.646 32.4929 33.6458 7.39075 GPRESSAVG: 4323000 -19.1536 -9.54873 32.5166 -11.922 32.0687 31.178 33.1104 36.455 6.4883 TIMING: 4323000 CPU: 12985.1, 0.0030198/step Wall: 12985.1, 0.0030198/step, 0.567891 hours remaining, 207.992188 MB of memory in use. ENERGY: 4323000 749.8407 2160.8193 1929.6827 105.4553 -205936.1882 17555.9626 0.0000 0.0000 34326.5298 -149107.8978 299.7821 -183434.4276 -149008.1734 300.0768 -60.5305 -25.9650 558680.4976 6.4802 6.4678 PRESSURE: 4323200 -92.0213 2.22948 17.1737 2.22877 19.491 -16.4722 17.1729 -16.4719 -250.202 GPRESSURE: 4323200 -133.811 -53.3707 23.1345 12.7016 54.3672 -108.961 15.8434 4.82755 -148.715 PRESSAVG: 4323200 -63.2382 -4.67128 56.7879 -4.67131 59.6769 31.5622 56.7879 31.5621 -3.75781 GPRESSAVG: 4323200 -64.453 -5.8851 56.3778 -0.773696 59.3492 31.0755 57.1379 28.3585 -2.39487 TIMING: 4323200 CPU: 12985.7, 0.00303875/step Wall: 12985.7, 0.00303875/step, 0.571285 hours remaining, 207.992188 MB of memory in use. ENERGY: 4323200 802.8379 2155.1858 1947.6275 113.6616 -206195.0445 17835.5026 0.0000 0.0000 34207.4042 -149132.8248 298.7418 -183340.2291 -149032.6745 299.6165 -107.5774 -76.0529 558677.8572 -2.4397 -2.4996 PRESSURE: 4323400 85.0958 -74.7262 23.3028 -74.7279 -225.693 72.1459 23.3028 72.1449 61.5793 GPRESSURE: 4323400 97.7891 18.0124 -85.907 -178.842 -163.121 37.9373 21.4496 88.2867 80.6567 PRESSAVG: 4323400 57.4581 30.1356 -41.1557 30.1357 -94.782 2.14528 -41.1557 2.14528 -13.9485 GPRESSAVG: 4323400 59.9495 29.0346 -39.2075 29.6414 -94.9595 3.8095 -43.3324 3.9425 -15.6359 TIMING: 4323400 CPU: 12986.3, 0.00305793/step Wall: 12986.3, 0.00305793/step, 0.574721 hours remaining, 207.992188 MB of memory in use. ENERGY: 4323400 761.9211 2136.7648 1924.6204 115.8067 -206079.0500 17662.8351 0.0000 0.0000 34253.9891 -149223.1128 299.1486 -183477.1019 -149125.2639 299.4479 -26.3394 5.1084 558288.7436 -17.0908 -16.8820 PRESSURE: 4323600 -62.1077 20.1607 40.2567 20.159 -238.999 56.9466 40.2567 56.9477 -181.913 GPRESSURE: 4323600 -54.6957 64.4707 28.7511 -93.7417 -233.284 70.3544 -1.5632 4.97453 -105.958 PRESSAVG: 4323600 5.75111 28.076 -44.6034 28.0759 -57.2365 29.3301 -44.6034 29.33 11.8657 GPRESSAVG: 4323600 4.90139 29.656 -45.3015 26.5246 -57.8637 30.8816 -43.3066 27.4551 12.8453 TIMING: 4323600 CPU: 12986.9, 0.00306005/step Wall: 12986.9, 0.00306005/step, 0.57495 hours remaining, 207.992188 MB of memory in use. ENERGY: 4323600 767.1135 2110.1612 1934.6872 118.9803 -205812.1152 17479.5659 0.0000 0.0000 33935.4492 -149466.1579 296.3667 -183401.6071 -149369.4036 298.7560 -161.0064 -131.3124 557281.7798 -13.2066 -13.3723 PRESSURE: 4323800 73.8582 -25.7924 137.129 -25.7914 124.203 108.236 137.129 108.237 -144.022 GPRESSURE: 4323800 155.963 -54.1957 83.7766 30.645 120.051 201.786 115.693 118.745 -127.895 PRESSAVG: 4323800 49.4135 -11.4367 77.0431 -11.4367 -58.8101 30.7268 77.0431 30.7265 7.53565 GPRESSAVG: 4323800 49.6657 -11.6831 77.0359 -11.1389 -58.8395 29.0783 76.4345 32.2326 7.21873 TIMING: 4323800 CPU: 12987.6, 0.00306104/step Wall: 12987.6, 0.00306104/step, 0.574965 hours remaining, 207.992188 MB of memory in use. ENERGY: 4323800 747.6006 2144.0593 1934.1197 121.6575 -206425.9471 17848.4276 0.0000 0.0000 34251.1073 -149378.9751 299.1234 -183630.0824 -149277.3183 298.3686 18.0129 49.3731 556792.4578 -0.6203 -0.6517 PRESSURE: 4324000 155.776 -77.7955 40.9203 -77.7951 -146.869 -73.2936 40.9195 -73.2939 -25.096 GPRESSURE: 4324000 153.559 -69.7475 53.9828 -68.0145 -45.1058 -117.637 -5.70454 19.4502 -27.8636 PRESSAVG: 4324000 6.74062 -1.26304 8.16842 -1.26294 53.8361 48.7889 8.16832 48.789 -11.8639 GPRESSAVG: 4324000 7.01596 -0.598284 9.68579 -0.39526 53.7665 46.1578 8.80423 50.7992 -12.5375 TIMING: 4324000 CPU: 12988.2, 0.00305142/step Wall: 12988.2, 0.00305142/step, 0.572989 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: 4324000 776.1554 2094.7308 1920.0856 123.7224 -206615.6546 17984.4646 0.0000 0.0000 34283.2959 -149433.1998 299.4046 -183716.4957 -149330.2635 299.3237 -5.3963 26.8631 557437.5846 16.2376 16.0817 PRESSURE: 4324200 -293.681 27.191 117.412 27.191 -19.6475 102.003 117.412 102.004 -250.86 GPRESSURE: 4324200 -273.261 32.1261 68.9142 23.169 16.2866 118.278 104.739 82.9356 -210.952 PRESSAVG: 4324200 -42.9463 21.5697 -17.5749 21.5697 -21.3159 21.2819 -17.5749 21.2818 67.4864 GPRESSAVG: 4324200 -43.9724 20.3064 -21.7133 20.8639 -20.7971 22.5751 -17.0779 21.1712 68.1278 TIMING: 4324200 CPU: 12988.8, 0.00304779/step Wall: 12988.8, 0.00304779/step, 0.572138 hours remaining, 207.992188 MB of memory in use. ENERGY: 4324200 744.7801 2067.5105 1933.7209 114.2118 -205808.0542 17507.0915 0.0000 0.0000 34137.0587 -149303.6806 298.1274 -183440.7394 -149204.0498 298.9044 -188.0629 -155.9754 558154.2582 1.0747 1.1195 LDB: ============= START OF LOAD BALANCING ============== 12992.2 LDB: ============== END OF LOAD BALANCING =============== 12992.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12992.2 LDB: ============= START OF LOAD BALANCING ============== 12992.5 LDB: Largest compute 4820 load 0.023386 is 19.8% of average load 0.118107 LDB: Average compute 0.001723 is 1.5% of average load 0.118107 LDB: TIME 12992.5 LOAD: AVG 0.118107 MAX 0.220319 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.84 MB LDB: TIME 12992.5 LOAD: AVG 0.118107 MAX 0.220319 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.973 MB LDB: TIME 12992.5 LOAD: AVG 0.118107 MAX 0.220319 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.973 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 12992.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 12992.5 PRESSURE: 4324400 -618.124 -81.7232 -142.426 -81.7232 -401.784 -81.3585 -142.426 -81.3584 -246.961 GPRESSURE: 4324400 -533.404 -46.6018 -81.5299 -72.2275 -400.222 -29.3142 -154.148 -71.27 -228.98 PRESSAVG: 4324400 19.3236 1.15686 7.43553 1.15677 24.9583 2.24615 7.43546 2.24615 -53.2419 GPRESSAVG: 4324400 19.0997 0.90003 10.6426 1.92055 25.424 3.70328 4.77216 0.98914 -53.413 TIMING: 4324400 CPU: 12989.4, 0.00312852/step Wall: 12989.4, 0.00312852/step, 0.587119 hours remaining, 209.960938 MB of memory in use. ENERGY: 4324400 773.5610 2075.7024 1926.7236 121.0628 -205039.6473 17014.0548 0.0000 0.0000 34193.0569 -148935.4857 298.6165 -183128.5427 -148842.9431 299.3739 -422.2897 -387.5355 558420.9794 -2.9867 -2.9631 PRESSURE: 4324600 -96.3888 32.6305 5.58663 32.6294 -27.8666 -75.1597 5.58695 -75.1593 12.4401 GPRESSURE: 4324600 -32.8418 -37.8288 -17.2616 68.6844 6.60823 -44.1899 -7.50774 -165.644 5.64731 PRESSAVG: 4324600 -73.8575 -23.9778 -64.1362 -23.9776 33.0652 -44.8306 -64.1361 -44.8307 22.1815 GPRESSAVG: 4324600 -72.381 -24.1184 -66.1168 -22.4753 32.5097 -44.4389 -61.5511 -45.3233 21.2532 TIMING: 4324600 CPU: 12990, 0.00308347/step Wall: 12990, 0.00308347/step, 0.578493 hours remaining, 210.031250 MB of memory in use. ENERGY: 4324600 743.9169 2130.5410 1949.4259 99.6987 -205935.2541 17590.5558 0.0000 0.0000 34483.3807 -148937.7352 301.1519 -183421.1159 -148837.0673 300.1536 -37.2718 -6.8621 557011.3098 -6.2036 -6.2061 PRESSURE: 4324800 -365.264 -7.6339 -19.7702 -7.63499 -275.778 -106.057 -19.77 -106.057 -251.332 GPRESSURE: 4324800 -325.136 -68.7229 -42.2557 -41.2768 -272.652 -140.028 51.8948 -33.1317 -194.492 PRESSAVG: 4324800 2.35454 -40.7517 -13.5864 -40.7518 17.5414 -0.00966361 -13.5863 -0.00966117 6.53145 GPRESSAVG: 4324800 2.28095 -40.6365 -12.8526 -43.0426 16.7523 0.159825 -15.6621 -0.603407 7.8739 TIMING: 4324800 CPU: 12990.6, 0.00308022/step Wall: 12990.6, 0.00308022/step, 0.577713 hours remaining, 210.031250 MB of memory in use. ENERGY: 4324800 776.5391 2061.1400 1933.5902 112.3670 -205728.6039 17334.6840 0.0000 0.0000 34477.1821 -149033.1015 301.0978 -183510.2836 -148941.9517 299.8998 -297.4580 -264.0933 558250.8056 8.8091 8.9690 PRESSURE: 4325000 -75.914 112.789 -215.648 112.788 135.482 -12.6232 -215.648 -12.6225 229.344 GPRESSURE: 4325000 -23.5736 91.9316 -113.996 117.209 161.02 -3.56186 -197.385 -37.0571 241.012 PRESSAVG: 4325000 -55.4653 5.32041 36.6601 5.32036 18.3339 -26.0471 36.6601 -26.0471 -1.18743 GPRESSAVG: 4325000 -55.4903 5.6542 35.2321 4.7288 18.3951 -24.341 38.2924 -28.4458 -0.949608 TIMING: 4325000 CPU: 12991.2, 0.00305172/step Wall: 12991.2, 0.00305172/step, 0.572198 hours remaining, 210.031250 MB of memory in use. ENERGY: 4325000 726.2530 2062.4058 1932.5122 116.4571 -205932.8248 17773.8368 0.0000 0.0000 34236.2494 -149085.1104 298.9937 -183321.3597 -148987.6172 299.4043 96.3038 126.1528 556602.8450 -12.7729 -12.6816 PRESSURE: 4325200 220.946 11.0444 74.1796 11.0459 63.3882 -56.5117 74.18 -56.5112 109.135 GPRESSURE: 4325200 247.423 -91.657 142.702 48.7793 67.4073 -12.5125 106.928 -53.8187 178.777 PRESSAVG: 4325200 -58.2356 17.932 29.151 17.9319 16.3133 52.7073 29.151 52.7073 50.0163 GPRESSAVG: 4325200 -58.2195 16.0921 30.1284 17.8635 16.6599 48.2328 29.3202 56.9036 49.8207 TIMING: 4325200 CPU: 12991.9, 0.00305023/step Wall: 12991.9, 0.00305023/step, 0.571748 hours remaining, 210.031250 MB of memory in use. ENERGY: 4325200 715.4419 2079.9764 1969.9652 115.1675 -206432.9111 17931.4944 0.0000 0.0000 34363.1817 -149257.6839 300.1022 -183620.8657 -149161.0008 298.9457 131.1564 164.5355 556160.9282 2.6980 2.7537 PRESSURE: 4325400 171.142 -5.60558 -103.297 -5.60734 37.2488 7.82893 -103.297 7.82799 98.756 GPRESSURE: 4325400 181.656 -7.95533 -17.2637 5.21825 74.9021 36.3261 -63.3883 -67.3744 133.942 PRESSAVG: 4325400 -14.3247 -12.3832 17.8221 -12.3831 -66.4584 7.19233 17.8221 7.19233 56.7102 GPRESSAVG: 4325400 -14.2159 -12.5944 18.7884 -11.6304 -65.9408 10.9737 18.3964 5.69431 56.046 TIMING: 4325400 CPU: 12992.5, 0.00308432/step Wall: 12992.5, 0.00308432/step, 0.577968 hours remaining, 210.042969 MB of memory in use. ENERGY: 4325400 715.9701 2054.7710 1938.4069 107.4586 -206131.3301 18042.0180 0.0000 0.0000 34010.9361 -149261.7694 297.0260 -183272.7055 -149166.0973 298.6164 102.3821 130.1670 558186.4697 -8.0243 -8.0369 PRESSURE: 4325600 -10.3276 58.2813 52.2598 58.2811 182.015 -229.465 52.2596 -229.464 36.093 GPRESSURE: 4325600 7.28722 54.6246 47.9629 -8.52449 183.609 -228.891 79.0416 -233.964 101.929 PRESSAVG: 4325600 -5.46742 -12.2159 52.2199 -12.2159 39.3926 -6.57793 52.22 -6.57783 6.52036 GPRESSAVG: 4325600 -7.14669 -10.4329 52.1467 -13.1497 39.7004 -8.45032 51.5363 -5.29722 8.04799 TIMING: 4325600 CPU: 12993.1, 0.00307565/step Wall: 12993.1, 0.00307565/step, 0.576171 hours remaining, 210.042969 MB of memory in use. ENERGY: 4325600 691.0809 2077.3104 1965.3718 110.3598 -206045.3896 17597.4363 0.0000 0.0000 34517.3377 -149086.4927 301.4485 -183603.8304 -148991.0541 298.6582 69.2602 97.6084 556732.9063 13.4818 13.5339 PRESSURE: 4325800 45.8357 -157.711 69.5632 -157.709 -190.89 31.8581 69.5631 31.8585 -82.4937 GPRESSURE: 4325800 58.4691 -98.4243 63.3492 -113.818 -156.72 13.6488 30.0148 0.0955084 -27.4793 PRESSAVG: 4325800 58.6842 -1.90584 2.34932 -1.90577 -55.3262 20.4096 2.3493 20.4096 -10.4102 GPRESSAVG: 4325800 60.9232 -4.12415 2.13751 -0.368208 -55.5163 19.7687 2.34719 19.2607 -12.2836 TIMING: 4325800 CPU: 12993.7, 0.00307604/step Wall: 12993.7, 0.00307604/step, 0.576073 hours remaining, 210.042969 MB of memory in use. ENERGY: 4325800 752.7438 2121.8466 1956.0014 102.6257 -205884.3314 17701.9063 0.0000 0.0000 34079.9374 -149169.2701 297.6286 -183249.2075 -149078.8590 298.7819 -75.8493 -41.9101 558950.3379 -2.3507 -2.2922 PRESSURE: 4326000 -139.035 1.93881 -86.8422 1.93917 77.803 -27.2764 -86.8434 -27.2765 -184.697 GPRESSURE: 4326000 -89.2197 11.1501 -156.416 107.5 94.1261 -97.1608 13.2671 -108.286 -139.998 PRESSAVG: 4326000 49.8723 6.0134 24.5889 6.01335 -8.73543 27.1984 24.5888 27.1984 1.9996 GPRESSAVG: 4326000 47.3186 5.71348 25.1433 6.27422 -7.39219 28.6728 24.0189 25.7155 2.98065 TIMING: 4326000 CPU: 12994.3, 0.00306536/step Wall: 12994.3, 0.00306536/step, 0.573903 hours remaining, 210.042969 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: 4326000 773.3992 2083.5489 1958.6503 103.2876 -205973.1261 17670.0546 0.0000 0.0000 34201.7388 -149182.4467 298.6923 -183384.1855 -149085.0883 298.4039 -81.9762 -45.0306 558726.9220 14.3788 14.3023 PRESSURE: 4326200 53.5006 -86.3553 -95.3063 -86.355 -19.5305 -90.7253 -95.3083 -90.7247 142.102 GPRESSURE: 4326200 88.2248 -59.2089 -107.928 -23.8114 -12.9086 -105.73 -192.512 -201.262 193.802 PRESSAVG: 4326200 17.8081 59.8275 38.6817 59.8275 34.4458 -36.4331 38.6816 -36.433 -19.7071 GPRESSAVG: 4326200 19.109 60.7311 36.6148 59.2731 33.6844 -37.4435 39.1308 -33.6694 -20.3256 TIMING: 4326200 CPU: 12994.9, 0.00306564/step Wall: 12994.9, 0.00306564/step, 0.573786 hours remaining, 210.042969 MB of memory in use. ENERGY: 4326200 757.5776 2116.5061 1939.6305 114.2482 -206499.2230 18086.0795 0.0000 0.0000 34302.9289 -149182.2521 299.5760 -183485.1811 -149096.6585 298.9918 58.6907 89.7061 558731.9310 10.8489 10.8226 PRESSURE: 4326400 -125.601 -11.292 94.2182 -11.2926 106.373 207.877 94.2177 207.876 -170.822 GPRESSURE: 4326400 -88.8958 -1.56739 51.5035 2.40306 149.925 167.509 80.0886 199.546 -158.859 PRESSAVG: 4326400 20.6656 -16.6081 11.4547 -16.608 -36.7757 31.3522 11.4546 31.3522 19.6943 GPRESSAVG: 4326400 21.9852 -15.2853 14.3032 -17.2297 -37.6521 33.9555 9.59673 30.4777 19.5841 TIMING: 4326400 CPU: 12995.5, 0.00306606/step Wall: 12995.5, 0.00306606/step, 0.573695 hours remaining, 210.042969 MB of memory in use. ENERGY: 4326400 783.9082 2133.1212 1920.2864 105.4808 -206353.9589 17976.4056 0.0000 0.0000 34203.7475 -149231.0091 298.7098 -183434.7566 -149129.3050 298.9441 -63.3498 -32.6097 559522.6720 1.1947 1.3057 PRESSURE: 4326600 -177.065 16.4657 79.491 16.465 -195.48 4.70825 79.4897 4.70909 21.4666 GPRESSURE: 4326600 -157.996 33.0075 76.2016 13.3883 -138.321 49.4874 119.524 -19.0332 47.8408 PRESSAVG: 4326600 -30.4997 0.350509 17.7381 0.350467 11.7369 59.656 17.738 59.6561 12.1991 GPRESSAVG: 4326600 -31.1386 -0.243223 15.5681 0.807108 11.6541 57.8946 21.3507 58.9066 13.7027 TIMING: 4326600 CPU: 12996.2, 0.0030548/step Wall: 12996.2, 0.0030548/step, 0.571417 hours remaining, 210.042969 MB of memory in use. ENERGY: 4326600 738.7049 2162.1255 1930.3508 99.4185 -205970.6707 17678.3832 0.0000 0.0000 34214.8785 -149146.8094 298.8070 -183361.6879 -149044.2517 298.7384 -117.0260 -82.8256 558779.4043 -2.1879 -1.9273 PRESSURE: 4326800 -153.124 69.3646 16.112 69.3656 -10.1817 -228.602 16.1109 -228.601 26.4329 GPRESSURE: 4326800 -110.948 50.5497 68.8743 83.7293 8.58309 -228.328 22.9972 -245.319 60.2657 PRESSAVG: 4326800 -96.7873 33.5087 25.751 33.5086 71.812 -51.7196 25.751 -51.7196 65.2934 GPRESSAVG: 4326800 -96.2305 34.7468 28.0173 32.9844 72.5725 -51.3657 24.2882 -50.4679 64.1105 TIMING: 4326800 CPU: 12996.8, 0.00307488/step Wall: 12996.8, 0.00307488/step, 0.575002 hours remaining, 210.042969 MB of memory in use. ENERGY: 4326800 725.4017 2149.9244 1949.4674 105.8033 -206313.8329 17900.2970 0.0000 0.0000 34179.2837 -149303.6553 298.4962 -183482.9390 -149211.5939 298.5119 -45.6241 -14.0330 558402.5006 13.4394 13.4842 PRESSURE: 4327000 -345.407 70.4788 110.178 70.4789 -192.928 -143.402 110.178 -143.403 -599.011 GPRESSURE: 4327000 -316.847 43.2547 110.836 80.4922 -165.439 -206.322 93.737 -24.3388 -558.821 PRESSAVG: 4327000 7.33081 29.4789 -2.88725 29.4789 -7.45788 8.82522 -2.88724 8.82528 11.5517 GPRESSAVG: 4327000 8.08822 28.7356 -3.39873 29.2382 -7.36241 9.75709 -1.89385 9.08151 10.5906 TIMING: 4327000 CPU: 12997.4, 0.00305436/step Wall: 12997.4, 0.00305436/step, 0.570996 hours remaining, 210.042969 MB of memory in use. ENERGY: 4327000 793.7678 2150.4909 1953.4985 120.1630 -205463.1655 17300.0705 0.0000 0.0000 33886.5602 -149258.6147 295.9398 -183145.1749 -149162.5527 298.5315 -379.1153 -347.0358 558986.6427 3.8082 3.7721 PRESSURE: 4327200 -88.0285 93.531 -12.3974 93.5305 -98.8952 -106.351 -12.3986 -106.35 345.896 GPRESSURE: 4327200 -47.208 94.3802 36.6489 -11.7932 -62.5204 -59.2924 -22.7039 -69.8183 359.031 PRESSAVG: 4327200 20.2002 -2.7212 -45.6619 -2.72115 29.2765 -17.5905 -45.6618 -17.5906 2.40061 GPRESSAVG: 4327200 19.61 -3.7117 -46.3169 -1.51898 29.2488 -18.7681 -46.8195 -17.9695 2.6861 TIMING: 4327200 CPU: 12998, 0.00303718/step Wall: 12998, 0.00303718/step, 0.567615 hours remaining, 210.042969 MB of memory in use. ENERGY: 4327200 715.6365 2125.8727 1953.3749 109.4390 -206203.5300 17888.0214 0.0000 0.0000 34306.8730 -149104.3126 299.6105 -183411.1856 -149005.0515 299.3580 52.9907 83.1009 558235.5796 17.2924 17.1816 PRESSURE: 4327400 176.759 -58.6256 -24.3742 -58.6252 -46.1935 -80.0856 -24.3736 -80.0841 171.731 GPRESSURE: 4327400 253.832 15.7909 -38.2173 -82.8752 19.9749 -59.6282 -29.9838 -65.7859 130.276 PRESSAVG: 4327400 3.80326 -5.53284 55.7527 -5.53289 -27.1467 -20.5396 55.7527 -20.5397 58.4289 GPRESSAVG: 4327400 3.30032 -3.32983 52.8461 -8.47513 -26.2409 -18.0537 55.3103 -21.8334 58.0806 TIMING: 4327400 CPU: 12998.6, 0.00305455/step Wall: 12998.6, 0.00305455/step, 0.570692 hours remaining, 210.042969 MB of memory in use. ENERGY: 4327400 745.2141 2153.9785 1980.9844 138.5708 -206407.3435 17999.8640 0.0000 0.0000 34179.5130 -149209.2188 298.4982 -183388.7318 -149113.6385 299.7089 100.7656 134.6943 557354.1487 11.6952 11.7133 PRESSURE: 4327600 -19.751 -52.1194 -14.0712 -52.1203 -148.618 78.8329 -14.0722 78.8334 -139.031 GPRESSURE: 4327600 22.6803 -111.961 -51.3428 -64.8908 -130.092 56.3925 -27.4423 53.6721 -105.572 PRESSAVG: 4327600 50.0367 4.5713 30.1516 4.57124 -7.88402 -25.0001 30.1517 -25.0001 -72.9065 GPRESSAVG: 4327600 49.5629 0.977953 32.6503 7.12505 -8.55204 -27.0907 29.7529 -24.6928 -71.8253 TIMING: 4327600 CPU: 12999.2, 0.00303599/step Wall: 12999.2, 0.00303599/step, 0.567055 hours remaining, 210.042969 MB of memory in use. ENERGY: 4327600 748.6942 2054.8602 1967.3830 109.2305 -206112.2780 17653.7176 0.0000 0.0000 34149.9177 -149428.4748 298.2397 -183578.3925 -149337.6207 298.8640 -102.4668 -70.9944 557649.0631 -10.2513 -10.2715 PRESSURE: 4327800 -98.3713 -150.176 -30.2456 -150.177 77.5045 7.50462 -30.2468 7.50689 -68.8944 GPRESSURE: 4327800 -59.3234 -191.885 -27.036 -115.355 80.1013 -66.376 -106.612 26.229 -2.90204 PRESSAVG: 4327800 37.7522 -24.8563 26.9584 -24.8563 -12.9238 -30.2061 26.9584 -30.2061 -32.7779 GPRESSAVG: 4327800 38.4369 -22.3686 26.0099 -25.309 -11.5783 -31.0037 28.0131 -28.5675 -34.3784 TIMING: 4327800 CPU: 12999.8, 0.00304903/step Wall: 12999.8, 0.00304903/step, 0.569322 hours remaining, 210.042969 MB of memory in use. ENERGY: 4327800 785.7666 2163.1456 1937.6101 110.0226 -206590.8271 18009.5120 0.0000 0.0000 34137.3577 -149447.4125 298.1300 -183584.7702 -149349.3671 298.5234 -29.9204 5.9586 557384.9015 -2.6498 -2.5066 PRESSURE: 4328000 206.553 62.3477 -23.4948 62.3482 151.739 -81.9412 -23.4948 -81.9414 57.1577 GPRESSURE: 4328000 245.474 18.5956 35.1996 114.8 149.294 -151.674 38.2401 -50.3433 123.358 PRESSAVG: 4328000 -12.8372 -17.9051 -45.284 -17.9052 30.1925 -14.5295 -45.2839 -14.5295 -3.05491 GPRESSAVG: 4328000 -11.7443 -19.6599 -45.4051 -16.5491 27.5306 -14.0084 -47.9092 -14.4138 -1.5137 TIMING: 4328000 CPU: 13000.4, 0.00304342/step Wall: 13000.4, 0.00304342/step, 0.568106 hours remaining, 210.042969 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: 4328000 782.2372 2151.9992 1957.0310 99.5984 -206291.7655 18062.9345 0.0000 0.0000 33954.3029 -149283.6625 296.5314 -183237.9654 -149187.5465 298.9317 138.4830 172.7088 557285.9024 4.7668 4.7575 PRESSURE: 4328200 11.9345 44.9679 -62.9333 44.9688 -91.4609 131.53 -62.9319 131.53 142.882 GPRESSURE: 4328200 67.1181 15.5927 -62.598 110.405 -106.743 52.9707 -23.5945 168.48 181.669 PRESSAVG: 4328200 46.028 -17.2773 -36.3209 -17.2774 26.6069 -1.89305 -36.321 -1.893 -47.8551 GPRESSAVG: 4328200 45.1691 -18.2499 -36.172 -18.6541 27.3105 -2.10211 -32.9041 -3.74108 -47.5674 TIMING: 4328200 CPU: 13001, 0.0030604/step Wall: 13001, 0.0030604/step, 0.571104 hours remaining, 210.042969 MB of memory in use. ENERGY: 4328200 752.6646 2127.9768 1960.6062 133.4199 -206386.1254 17917.6014 0.0000 0.0000 34316.3918 -149177.4647 299.6936 -183493.8565 -149086.5663 299.0326 21.1185 47.3479 557053.1779 8.2599 8.3041 LDB: ============= START OF LOAD BALANCING ============== 13004.5 LDB: ============== END OF LOAD BALANCING =============== 13004.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13004.5 LDB: ============= START OF LOAD BALANCING ============== 13004.8 LDB: Largest compute 4820 load 0.021790 is 18.4% of average load 0.118167 LDB: Average compute 0.001718 is 1.5% of average load 0.118167 LDB: TIME 13004.8 LOAD: AVG 0.118167 MAX 0.220167 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.703 MB LDB: TIME 13004.8 LOAD: AVG 0.118167 MAX 0.220167 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.91 MB LDB: TIME 13004.8 LOAD: AVG 0.118167 MAX 0.220167 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.91 MB LDB: ============== END OF LOAD BALANCING =============== 13004.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13004.8 PRESSURE: 4328400 159.091 7.0887 125.241 7.08808 -104.204 -144.235 125.241 -144.237 -25.9994 GPRESSURE: 4328400 201.976 43.2537 86.8828 36.5746 -96.2797 -67.3544 161.957 -145.26 19.9746 PRESSAVG: 4328400 77.4795 26.228 -0.154065 26.228 -57.649 20.3539 -0.154178 20.3537 -8.26584 GPRESSAVG: 4328400 77.5348 27.9571 -0.16017 26.8036 -56.7318 20.7264 -0.781327 22.2736 -9.57139 TIMING: 4328400 CPU: 13001.7, 0.0031393/step Wall: 13001.7, 0.0031393/step, 0.585654 hours remaining, 208.988281 MB of memory in use. ENERGY: 4328400 788.8923 2077.0210 1951.8275 117.3040 -206373.3999 17907.1842 0.0000 0.0000 34215.8286 -149315.3421 298.8153 -183531.1707 -149221.6685 300.0116 9.6292 41.8904 556129.6090 3.8549 3.7439 PRESSURE: 4328600 -124.337 66.3002 29.2576 66.3018 -26.1328 12.5559 29.2564 12.5543 -317.465 GPRESSURE: 4328600 -77.8214 83.0737 -20.3975 37.6137 -47.8084 -47.4214 71.8984 -43.407 -255.19 PRESSAVG: 4328600 -17.3266 21.6095 -12.1645 21.6096 38.7196 -63.704 -12.1645 -63.704 -5.72087 GPRESSAVG: 4328600 -17.7942 22.343 -13.7897 20.8799 36.9136 -62.9194 -12.623 -64.4337 -3.97169 TIMING: 4328600 CPU: 13002.3, 0.0030708/step Wall: 13002.3, 0.0030708/step, 0.572705 hours remaining, 208.988281 MB of memory in use. ENERGY: 4328600 794.5111 2066.0679 1940.4050 118.5501 -206564.7895 17837.2819 0.0000 0.0000 34406.6680 -149401.3054 300.4820 -183807.9734 -149292.1266 299.3008 -155.9785 -126.9400 557637.3518 5.2241 5.0493 PRESSURE: 4328800 -262.803 39.5498 -71.4294 39.5498 -74.8375 -212.782 -71.4283 -212.784 71.1047 GPRESSURE: 4328800 -200.009 42.2165 -57.2825 18.7659 -35.8795 -246.421 -30.5319 -203.656 72.8612 PRESSAVG: 4328800 37.9074 42.7478 -37.4609 42.7478 16.9347 -24.1484 -37.4609 -24.1484 -46.8046 GPRESSAVG: 4328800 36.8244 42.7592 -35.665 41.737 18.9546 -24.6719 -37.4114 -23.9974 -47.448 TIMING: 4328800 CPU: 13002.9, 0.00308146/step Wall: 13002.9, 0.00308146/step, 0.574522 hours remaining, 208.988281 MB of memory in use. ENERGY: 4328800 805.8944 2134.6814 1927.5454 110.0453 -206396.8415 17780.7467 0.0000 0.0000 34242.5269 -149395.4013 299.0485 -183637.9283 -149306.9954 298.7168 -88.8452 -54.3424 557347.9719 2.6792 2.7770 PRESSURE: 4329000 -154.831 35.5784 -12.2274 35.5797 -80.8127 -41.5567 -12.2278 -41.557 1.10033 GPRESSURE: 4329000 -165.979 53.527 3.62998 48.5943 -27.4289 -8.48358 88.3892 -80.856 52.6987 PRESSAVG: 4329000 -18.5714 -37.1874 6.87667 -37.1873 42.0827 -4.17962 6.87673 -4.17966 -9.68968 GPRESSAVG: 4329000 -19.0485 -38.3429 7.67688 -35.4208 41.3019 -2.47063 6.56394 -6.01261 -9.32635 TIMING: 4329000 CPU: 13003.5, 0.00305586/step Wall: 13003.5, 0.00305586/step, 0.569578 hours remaining, 209.250000 MB of memory in use. ENERGY: 4329000 739.2426 2133.7593 1952.1533 112.3256 -205861.6650 17473.5629 0.0000 0.0000 34157.6898 -149292.9316 298.3076 -183450.6214 -149194.1894 299.0718 -78.1811 -46.9029 556189.1332 4.6072 4.3090 PRESSURE: 4329200 -49.022 27.88 -166.313 27.8806 -198.141 11.2346 -166.313 11.2343 -33.935 GPRESSURE: 4329200 -22.6513 63.9192 -120.862 49.2589 -147.4 -12.6901 -158.693 83.9429 -19.0431 PRESSAVG: 4329200 -21.1559 6.75153 3.49975 6.75146 72.9317 -51.3317 3.49977 -51.3318 -41.1473 GPRESSAVG: 4329200 -20.1418 6.96295 1.71718 8.88513 74.0025 -50.7378 4.26761 -50.6246 -43.2978 TIMING: 4329200 CPU: 13004.1, 0.00309976/step Wall: 13004.1, 0.00309976/step, 0.577589 hours remaining, 209.250000 MB of memory in use. ENERGY: 4329200 779.7615 2068.4336 1931.5151 106.5085 -205948.9595 17775.9354 0.0000 0.0000 33960.0828 -149326.7226 296.5818 -183286.8054 -149228.3454 298.6078 -93.6994 -63.0315 557714.5420 3.5428 3.5210 PRESSURE: 4329400 129.324 61.6218 47.0422 61.6206 30.8372 100.179 47.0428 100.179 405.983 GPRESSURE: 4329400 75.0099 121.528 85.2915 45.9486 76.0429 66.5031 -9.5847 49.0667 505.058 PRESSAVG: 4329400 -9.95526 52.0166 13.8245 52.0165 0.296899 -18.5121 13.8244 -18.5121 43.7092 GPRESSAVG: 4329400 -9.58618 51.9356 16.9295 51.3877 -1.48031 -19.8974 10.777 -17.9225 45.3968 TIMING: 4329400 CPU: 13004.7, 0.00302388/step Wall: 13004.7, 0.00302388/step, 0.563281 hours remaining, 209.250000 MB of memory in use. ENERGY: 4329400 732.1877 2067.1409 1945.3842 118.0447 -206720.3822 18106.9548 0.0000 0.0000 34354.4415 -149396.2283 300.0259 -183750.6698 -149301.3640 298.6276 188.7148 218.7037 556710.2983 11.3503 11.4434 PRESSURE: 4329600 -81.4894 23.1243 -25.4033 23.1235 -121.75 7.90116 -25.4025 7.90029 195.571 GPRESSURE: 4329600 -27.3693 23.3751 -62.4965 -8.83559 -65.3293 -20.0853 -18.0911 22.6069 195.847 PRESSAVG: 4329600 -73.2824 25.9671 17.7086 25.9672 62.8107 21.4036 17.7086 21.4036 45.683 GPRESSAVG: 4329600 -73.8464 26.1127 14.0915 23.9152 63.5518 20.8523 22.42 19.9993 45.9257 TIMING: 4329600 CPU: 13005.3, 0.00304643/step Wall: 13005.3, 0.00304643/step, 0.567313 hours remaining, 209.250000 MB of memory in use. ENERGY: 4329600 740.7363 2119.7617 1943.3062 120.4371 -206519.6778 17880.9614 0.0000 0.0000 34261.4477 -149453.0274 299.2137 -183714.4751 -149355.3139 298.4943 -2.5560 34.3828 557537.6981 11.7371 11.8770 PRESSURE: 4329800 -32.5889 -4.0196 28.0664 -4.01966 -35.6513 53.0765 28.0675 53.0767 -287.911 GPRESSURE: 4329800 8.53917 -60.3595 -55.0875 24.5501 -52.0891 73.7241 146.059 -27.4998 -232.054 PRESSAVG: 4329800 28.3445 -46.9515 -19.707 -46.9515 -50.7867 12.8429 -19.7069 12.8428 12.3191 GPRESSAVG: 4329800 28.6314 -46.1178 -18.8474 -47.3178 -49.9559 10.2803 -22.3368 15.342 11.115 TIMING: 4329800 CPU: 13005.9, 0.00302104/step Wall: 13005.9, 0.00302104/step, 0.562417 hours remaining, 209.250000 MB of memory in use. ENERGY: 4329800 709.6675 2124.0567 1954.0299 107.5758 -206127.8702 17659.0037 0.0000 0.0000 34100.9921 -149472.5445 297.8124 -183573.5365 -149376.6342 297.8785 -118.7171 -91.8680 558337.8257 -3.3744 -3.4032 PRESSURE: 4330000 -8.32368 38.5808 149.821 38.5807 88.7684 57.7081 149.822 57.7072 -50.5019 GPRESSURE: 4330000 -6.36164 59.1719 134.192 20.3335 128.737 140.705 132.94 -14.9512 6.13436 PRESSAVG: 4330000 -16.7635 -13.1522 16.2957 -13.1522 35.0827 28.4841 16.2957 28.4842 -24.1455 GPRESSAVG: 4330000 -17.9995 -14.55 17.0054 -12.2537 35.5221 30.0429 17.8226 29.4281 -23.2793 TIMING: 4330000 CPU: 13006.5, 0.00300912/step Wall: 13006.5, 0.00300912/step, 0.560031 hours remaining, 209.250000 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: 4330000 728.1611 2044.7973 1957.2622 107.9322 -206111.1599 17857.7980 0.0000 0.0000 34142.9690 -149272.2402 298.1790 -183415.2092 -149184.5612 298.7645 9.9809 42.8365 558919.6512 -1.9421 -1.9189 PRESSURE: 4330200 103.834 -74.8548 -60.6637 -74.8533 112.335 -67.248 -60.665 -67.2486 151.455 GPRESSURE: 4330200 197.682 -14.2469 -38.1431 -55.9587 124.34 -66.8131 -17.8354 -83.9018 138.153 PRESSAVG: 4330200 4.21178 -3.90628 21.8373 -3.90632 -16.38 42.1233 21.8373 42.1233 12.1917 GPRESSAVG: 4330200 5.48119 -3.60881 23.5879 -3.60603 -16.8159 44.4986 21.5033 39.8151 11.428 TIMING: 4330200 CPU: 13007.2, 0.00302823/step Wall: 13007.2, 0.00302823/step, 0.563419 hours remaining, 209.250000 MB of memory in use. ENERGY: 4330200 756.4258 2090.7334 1941.2701 128.4303 -206257.0277 17976.1766 0.0000 0.0000 34326.0666 -149037.9250 299.7781 -183363.9915 -148932.0465 299.3598 122.5413 153.3914 557162.9929 0.0078 0.0311 PRESSURE: 4330400 33.0821 -105.157 -134.189 -105.157 9.29398 -43.2899 -134.189 -43.2883 -13.1339 GPRESSURE: 4330400 109.292 -89.7934 -77.2379 -162.292 23.4938 16.8186 -248.429 -66.8483 -5.9555 PRESSAVG: 4330400 20.0814 10.4701 55.1053 10.4702 -0.561293 3.16731 55.1054 3.1672 -19.0465 GPRESSAVG: 4330400 19.9946 12.5154 52.4582 10.2979 -0.669356 1.57233 55.2321 4.348 -19.0893 TIMING: 4330400 CPU: 13007.8, 0.00306547/step Wall: 13007.8, 0.00306547/step, 0.570177 hours remaining, 209.250000 MB of memory in use. ENERGY: 4330400 729.9167 2032.2324 1912.5696 106.1300 -205811.5897 17717.7281 0.0000 0.0000 34450.5222 -148862.4906 300.8650 -183313.0128 -148764.1222 300.4462 9.7474 42.2767 555828.4567 0.1579 0.0787 PRESSURE: 4330600 92.7676 -147.293 48.8846 -147.293 -39.4153 -2.50386 48.8832 -2.5042 331.022 GPRESSURE: 4330600 123.649 -117.603 44.5376 -103.346 1.62922 -86.4414 65.8454 112.24 353.987 PRESSAVG: 4330600 48.3234 35.419 -13.7013 35.419 2.44023 27.3255 -13.7014 27.3255 -43.5027 GPRESSAVG: 4330600 48.1755 33.1733 -10.942 33.9828 1.53039 25.6157 -15.3471 28.68 -42.3973 TIMING: 4330600 CPU: 13008.4, 0.00304001/step Wall: 13008.4, 0.00304001/step, 0.565274 hours remaining, 209.492188 MB of memory in use. ENERGY: 4330600 760.5989 2050.0418 1933.4915 104.6056 -206177.4608 17960.6971 0.0000 0.0000 34420.7787 -148947.2470 300.6052 -183368.0258 -148849.6156 299.7226 128.1248 159.7551 556505.7425 2.4203 2.4362 PRESSURE: 4330800 -39.0736 299.004 128.948 299.004 -51.5733 -218.288 128.949 -218.289 -217.867 GPRESSURE: 4330800 -17.4105 270.446 270.598 308.068 13.4654 -247.259 24.5776 -210.418 -212.757 PRESSAVG: 4330800 21.5914 51.4118 49.3376 51.4118 -0.219134 12.0459 49.3376 12.046 52.4601 GPRESSAVG: 4330800 20.9761 50.1585 48.5619 53.4234 0.421548 12.6846 48.951 11.0752 51.9927 TIMING: 4330800 CPU: 13009, 0.00304534/step Wall: 13009, 0.00304534/step, 0.566094 hours remaining, 209.492188 MB of memory in use. ENERGY: 4330800 787.1402 2065.1230 1942.5143 94.0822 -205660.5878 17675.0387 0.0000 0.0000 34319.4410 -148777.2483 299.7202 -183096.6893 -148675.4653 300.1646 -102.8381 -72.2341 557196.8508 24.6108 24.4634 PRESSURE: 4331000 80.6778 100.989 169.64 100.989 -252.309 -49.4523 169.64 -49.4521 309.554 GPRESSURE: 4331000 118.263 143.139 91.4499 71.1048 -226.504 -15.9988 171.205 -92.8945 344.441 PRESSAVG: 4331000 39.6896 63.0504 -29.8723 63.0504 -0.0606542 -40.0635 -29.8722 -40.0636 6.80208 GPRESSAVG: 4331000 39.7627 64.5413 -31.1963 61.3866 -0.97225 -39.1941 -28.9865 -40.4749 7.2171 TIMING: 4331000 CPU: 13009.6, 0.00305561/step Wall: 13009.6, 0.00305561/step, 0.567834 hours remaining, 209.492188 MB of memory in use. ENERGY: 4331000 751.3216 2102.2840 1941.8386 123.2615 -205967.3527 17768.5283 0.0000 0.0000 34429.3748 -148850.7439 300.6803 -183280.1187 -148755.7886 300.8556 45.9742 78.7334 555134.1692 15.4770 15.3358 PRESSURE: 4331200 -305.763 28.7405 166.6 28.7406 -311.263 62.8231 166.6 62.8226 -141.707 GPRESSURE: 4331200 -225.761 22.7415 195.092 36.7753 -257.998 73.9221 163.906 -8.04383 -198.139 PRESSAVG: 4331200 20.7816 17.3784 34.3787 17.3784 -47.1858 -6.40518 34.3787 -6.40504 5.23816 GPRESSAVG: 4331200 19.9681 17.7572 34.4857 17.2362 -46.7108 -4.39651 36.0277 -6.69163 5.83316 TIMING: 4331200 CPU: 13010.2, 0.00303401/step Wall: 13010.2, 0.00303401/step, 0.563652 hours remaining, 209.492188 MB of memory in use. ENERGY: 4331200 800.8138 2098.3782 1949.1138 128.3746 -205247.0521 17385.3942 0.0000 0.0000 34238.4534 -148646.5241 299.0129 -182884.9776 -148554.1434 300.5704 -252.9111 -227.2991 558438.4914 -7.0553 -6.9698 PRESSURE: 4331400 -43.7808 113.288 188.326 113.286 -12.7281 -98.8672 188.326 -98.8668 -194.807 GPRESSURE: 4331400 -21.226 69.7499 75.5363 91.569 36.1566 -188.347 221.544 -116.615 -178.311 PRESSAVG: 4331400 -18.2803 29.245 49.1497 29.2451 -5.31573 38.1219 49.1496 38.1219 12.7602 GPRESSAVG: 4331400 -16.7616 29.6315 49.07 29.3839 -5.02638 35.8451 49.9435 38.4324 10.6784 TIMING: 4331400 CPU: 13010.8, 0.00300463/step Wall: 13010.8, 0.00300463/step, 0.558027 hours remaining, 209.492188 MB of memory in use. ENERGY: 4331400 716.0078 2139.6917 1962.4895 124.1103 -205469.6940 17625.4854 0.0000 0.0000 34504.7038 -148397.2056 301.3382 -182901.9094 -148299.2662 300.8492 -83.7720 -54.4600 558873.5395 -3.6120 -3.7032 PRESSURE: 4331600 -172.577 21.2528 -51.818 21.2534 -48.9162 103.832 -51.8183 103.831 -173.651 GPRESSURE: 4331600 -189.537 131.775 -118.229 -8.08196 23.0124 45.8567 18.0729 175.965 -128.489 PRESSAVG: 4331600 -59.4134 15.0693 -22.1913 15.0693 26.578 -37.3192 -22.1912 -37.3193 35.0153 GPRESSAVG: 4331600 -60.601 16.4884 -21.8361 15.123 26.0808 -37.7611 -24.8161 -36.9459 36.7521 TIMING: 4331600 CPU: 13011.4, 0.00302119/step Wall: 13011.4, 0.00302119/step, 0.560934 hours remaining, 209.492188 MB of memory in use. ENERGY: 4331600 766.4759 2115.0145 1943.4305 117.4133 -205793.9819 17682.0265 0.0000 0.0000 34895.6251 -148273.9960 304.7522 -183169.6211 -148179.2482 301.7144 -131.7148 -98.3380 557171.2470 0.7267 0.7440 PRESSURE: 4331800 -18.5368 168.927 108.303 168.928 -104.094 -27.7759 108.302 -27.7763 54.6599 GPRESSURE: 4331800 9.95473 173.447 153.893 125.028 -30.6069 -98.3369 67.5734 61.4003 48.5302 PRESSAVG: 4331800 -50.9793 83.5015 6.896 83.5016 52.9643 -19.5338 6.89605 -19.5338 11.7411 GPRESSAVG: 4331800 -51.2564 81.5663 8.84606 84.4924 53.5757 -18.3314 6.37728 -21.07 10.8915 TIMING: 4331800 CPU: 13012, 0.00301922/step Wall: 13012, 0.00301922/step, 0.560402 hours remaining, 209.492188 MB of memory in use. ENERGY: 4331800 750.1962 2061.5997 1974.1025 107.2046 -205679.3896 17811.7119 0.0000 0.0000 34668.2428 -148306.3320 302.7664 -182974.5748 -148198.5030 302.6301 -22.6571 9.2927 558202.5828 4.5754 4.4036 PRESSURE: 4332000 -71.6322 20.0851 195.363 20.0867 -198.563 65.1128 195.364 65.1131 -334.018 GPRESSURE: 4332000 23.0338 -41.8759 171.045 -3.75897 -223.126 118.514 203.747 76.2317 -307.681 PRESSAVG: 4332000 -10.9085 18.119 21.3162 18.1191 -9.97182 25.1197 21.3162 25.1196 -5.85087 GPRESSAVG: 4332000 -10.4108 16.9269 19.2874 16.87 -9.8146 24.9912 21.803 25.8389 -5.63542 TIMING: 4332000 CPU: 13012.6, 0.00300391/step Wall: 13012.6, 0.00300391/step, 0.557391 hours remaining, 209.492188 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: 4332000 732.6615 2113.4250 1970.3077 115.5643 -205564.5269 17364.6033 0.0000 0.0000 34762.8952 -148505.0698 303.5930 -183267.9650 -148408.9971 303.1772 -201.4044 -169.2579 558872.1088 -8.9104 -8.6203 PRESSURE: 4332200 117.334 23.0175 -135.461 23.0169 -78.3977 40.6678 -135.462 40.6691 30.649 GPRESSURE: 4332200 83.165 -24.5599 -126.023 31.7774 0.790871 71.5771 -110.965 19.8238 78.3161 PRESSAVG: 4332200 -80.8656 -39.9045 29.9799 -39.9045 83.6682 22.2903 29.9799 22.2903 -34.2654 GPRESSAVG: 4332200 -80.6857 -40.8539 31.5354 -39.1833 83.1974 21.3371 30.9167 24.0177 -34.1902 TIMING: 4332200 CPU: 13013.2, 0.00303075/step Wall: 13013.2, 0.00303075/step, 0.562205 hours remaining, 209.492188 MB of memory in use. ENERGY: 4332200 743.1563 2090.8847 1951.8964 107.3266 -206101.6859 17792.2127 0.0000 0.0000 34677.2366 -148738.9725 302.8449 -183416.2092 -148644.5996 301.5221 23.1950 54.0906 557751.3222 -10.4876 -10.5595 LDB: ============= START OF LOAD BALANCING ============== 13016.7 LDB: ============== END OF LOAD BALANCING =============== 13016.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13016.7 LDB: ============= START OF LOAD BALANCING ============== 13017 LDB: Largest compute 4820 load 0.021707 is 18.4% of average load 0.118135 LDB: Average compute 0.001725 is 1.5% of average load 0.118135 LDB: TIME 13017 LOAD: AVG 0.118135 MAX 0.215256 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.578 MB LDB: TIME 13017 LOAD: AVG 0.118135 MAX 0.215256 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.578 MB LDB: TIME 13017 LOAD: AVG 0.118135 MAX 0.215256 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.578 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13017 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13017 PRESSURE: 4332400 -76.0952 107.846 -93.4358 107.846 -89.3636 153.775 -93.4345 153.776 69.5292 GPRESSURE: 4332400 -6.61323 123.198 -152.236 92.578 -20.3948 133.653 -87.6361 227.99 36.0571 PRESSAVG: 4332400 -17.1295 25.9001 -38.1733 25.9001 -13.663 -6.21502 -38.1734 -6.21504 -23.9546 GPRESSAVG: 4332400 -17.7274 27.4832 -37.8082 26.9778 -12.57 -6.28052 -39.6115 -6.5396 -24.6119 TIMING: 4332400 CPU: 13013.8, 0.00314621/step Wall: 13013.8, 0.00314621/step, 0.583447 hours remaining, 208.859375 MB of memory in use. ENERGY: 4332400 779.7695 2158.0755 1964.6825 130.6184 -206247.9884 18016.4829 0.0000 0.0000 34306.5375 -148891.8222 299.6075 -183198.3596 -148799.7788 300.9331 -31.9765 3.0164 559878.1381 -18.2490 -18.3031 PRESSURE: 4332600 -208.009 27.3837 73.4265 27.3848 77.6199 56.8743 73.4259 56.8739 -141.747 GPRESSURE: 4332600 -189.921 -53.5183 113.661 70.336 116.749 8.44548 17.3176 -10.2409 -99.8762 PRESSAVG: 4332600 52.1798 42.3231 -52.3032 42.3231 -71.0948 43.3417 -52.3031 43.3418 46.9835 GPRESSAVG: 4332600 52.3637 41.3748 -54.371 43.048 -73.0562 43.5042 -49.4351 43.5091 48.5926 TIMING: 4332600 CPU: 13014.5, 0.00307029/step Wall: 13014.5, 0.00307029/step, 0.569197 hours remaining, 208.929688 MB of memory in use. ENERGY: 4332600 772.0743 2173.0451 1939.7139 116.7071 -206366.9075 17912.3810 0.0000 0.0000 34287.2511 -149165.7351 299.4391 -183452.9861 -149070.2076 299.9059 -90.7121 -57.6828 558711.4478 9.3562 9.3000 PRESSURE: 4332800 -59.3875 52.4156 -141.941 52.4155 -73.7594 -25.0123 -141.942 -25.0107 -175.686 GPRESSURE: 4332800 -6.66608 38.7067 -184.892 88.9707 -52.4843 -67.9853 -24.9816 12.3876 -144.576 PRESSAVG: 4332800 -6.02957 67.3661 -21.9405 67.3661 31.4486 6.26952 -21.9405 6.26959 -51.884 GPRESSAVG: 4332800 -5.38206 65.7156 -21.4472 68.3968 30.9563 6.97756 -22.8271 5.44369 -52.0408 TIMING: 4332800 CPU: 13015.1, 0.00306947/step Wall: 13015.1, 0.00306947/step, 0.568875 hours remaining, 208.929688 MB of memory in use. ENERGY: 4332800 796.0682 2098.0677 1930.0310 116.2871 -206338.8348 17857.1817 0.0000 0.0000 34476.2096 -149064.9894 301.0893 -183541.1990 -148967.0186 299.6351 -102.9444 -67.9087 557705.0157 -8.8217 -8.8222 PRESSURE: 4333000 -227.363 207.317 33.9597 207.316 -83.8121 41.2305 33.9607 41.2296 14.2963 GPRESSURE: 4333000 -224.504 154.823 31.8413 159.933 -64.721 88.0778 -2.25303 53.1237 93.4572 PRESSAVG: 4333000 -18.2464 36.0526 -49.7196 36.0525 -6.96545 9.41727 -49.7196 9.41715 27.9816 GPRESSAVG: 4333000 -19.4169 39.5206 -48.0037 34.5479 -6.22702 8.49931 -51.4121 9.19176 27.7902 TIMING: 4333000 CPU: 13015.7, 0.00304352/step Wall: 13015.7, 0.00304352/step, 0.563896 hours remaining, 208.929688 MB of memory in use. ENERGY: 4333000 709.1174 2098.4204 1948.4557 122.6746 -205995.7783 17592.9264 0.0000 0.0000 34394.1165 -149130.0673 300.3724 -183524.1838 -149019.7568 300.3840 -98.9594 -65.2558 558669.4879 0.9232 0.7154 PRESSURE: 4333200 -110.855 -12.6735 61.7646 -12.6737 -0.965053 -98.2998 61.7649 -98.3013 25.1058 GPRESSURE: 4333200 -50.0798 69.6058 -14.6637 -21.223 11.5532 -101.299 132.552 -152.189 54.9287 PRESSAVG: 4333200 74.4482 11.3514 -23.0541 11.3513 -6.46824 18.7517 -23.054 18.7517 -47.7039 GPRESSAVG: 4333200 76.2062 8.98624 -25.0258 9.91483 -7.52782 19.3238 -21.2747 19.3989 -48.7442 TIMING: 4333200 CPU: 13016.3, 0.00306262/step Wall: 13016.3, 0.00306262/step, 0.567265 hours remaining, 208.929688 MB of memory in use. ENERGY: 4333200 726.2448 2143.0343 1954.5388 113.3347 -206124.9879 17733.0148 0.0000 0.0000 34129.0424 -149325.7781 298.0574 -183454.8206 -149233.9158 299.7431 -28.9047 5.4674 557849.6542 6.7587 6.6447 PRESSURE: 4333400 -103.306 56.5639 58.7029 56.5644 293.431 92.4976 58.7031 92.4961 117.281 GPRESSURE: 4333400 -50.0442 49.0134 -24.64 58.0508 331.716 134.76 71.5375 81.4292 126.811 PRESSAVG: 4333400 -9.06743 73.6025 47.4322 73.6025 -25.8257 -24.7453 47.4321 -24.7453 8.18591 GPRESSAVG: 4333400 -10.6032 74.6821 47.7942 73.7725 -25.0126 -23.5295 49.1804 -26.9647 9.02468 TIMING: 4333400 CPU: 13016.9, 0.00302701/step Wall: 13016.9, 0.00302701/step, 0.560502 hours remaining, 208.929688 MB of memory in use. ENERGY: 4333400 747.7497 2080.1456 1922.5079 110.8760 -206573.3189 18013.2272 0.0000 0.0000 34315.8563 -149382.9561 299.6889 -183698.8124 -149285.3208 298.8337 102.4687 136.1610 557055.6972 -8.9024 -8.8637 PRESSURE: 4333600 -127.701 -121.488 71.4951 -121.488 -404.561 118.732 71.4946 118.732 -421.548 GPRESSURE: 4333600 -77.691 -148.948 100.932 -160.809 -396.691 70.6077 18.8415 88.883 -378.272 PRESSAVG: 4333600 69.3579 22.0555 -26.9862 22.0554 17.2751 24.9078 -26.9862 24.9079 -118.801 GPRESSAVG: 4333600 69.4628 19.8536 -26.0715 23.0216 17.0134 23.9067 -30.1112 24.8626 -119.024 TIMING: 4333600 CPU: 13017.5, 0.00304905/step Wall: 13017.5, 0.00304905/step, 0.564414 hours remaining, 208.929688 MB of memory in use. ENERGY: 4333600 772.4544 2105.0654 1963.8601 122.6304 -205964.8953 17244.0923 0.0000 0.0000 34406.1926 -149350.6002 300.4778 -183756.7928 -149253.5744 298.9310 -317.9367 -284.2183 557384.5764 -10.7225 -10.8494 PRESSURE: 4333800 -138.215 40.8407 52.9167 40.8402 170.973 102.414 52.916 102.414 -234.333 GPRESSURE: 4333800 -125.325 61.6826 129.788 98.4676 192.287 105.805 59.3938 65.1052 -175.613 PRESSAVG: 4333800 62.297 -0.622717 -13.6624 -0.622732 18.8705 -45.2093 -13.6623 -45.2094 -51.0335 GPRESSAVG: 4333800 62.4612 0.0103506 -13.5988 -1.26626 17.7032 -42.8565 -14.2785 -45.9617 -50.0936 TIMING: 4333800 CPU: 13018.1, 0.00301769/step Wall: 13018.1, 0.00301769/step, 0.558441 hours remaining, 208.929688 MB of memory in use. ENERGY: 4333800 754.6441 2125.1444 1958.8526 102.9002 -206186.6140 17727.1076 0.0000 0.0000 34045.1549 -149472.8102 297.3248 -183517.9650 -149374.5583 298.5387 -67.1919 -36.2170 557577.2321 10.0446 10.0236 PRESSURE: 4334000 214.957 -101.133 -116.684 -101.134 -183.588 -105.693 -116.683 -105.694 24.3573 GPRESSURE: 4334000 224.204 -156.227 -50.8628 -106.575 -170.207 -82.6393 -161.573 -63.0556 93.8478 PRESSAVG: 4334000 47.9978 -32.7964 15.6147 -32.7963 -11.8731 1.99452 15.6147 1.99438 -29.2581 GPRESSAVG: 4334000 48.6878 -31.2048 16.8973 -30.9197 -11.5389 0.633988 17.4187 2.59173 -29.7685 TIMING: 4334000 CPU: 13018.7, 0.00303437/step Wall: 13018.7, 0.00303437/step, 0.561358 hours remaining, 208.929688 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: 4334000 748.6836 2087.0313 1950.0757 108.1351 -206478.4080 17929.5663 0.0000 0.0000 34153.3831 -149501.5329 298.2700 -183654.9160 -149398.5781 298.2402 18.5754 49.2818 557195.3088 2.2889 2.4601 PRESSURE: 4334200 -131.937 128.008 67.4355 128.008 -141.902 -41.2034 67.4343 -41.2045 -193.463 GPRESSURE: 4334200 -115.153 36.0065 41.8631 22.7456 -93.8167 -50.2784 197.036 -111.665 -162.554 PRESSAVG: 4334200 11.8833 21.8042 -27.9697 21.8042 -53.5206 1.77492 -27.9697 1.7751 11.9018 GPRESSAVG: 4334200 11.6432 19.0003 -30.8652 22.0119 -53.395 0.671705 -27.0621 2.70017 11.396 TIMING: 4334200 CPU: 13019.3, 0.00304838/step Wall: 13019.3, 0.00304838/step, 0.56378 hours remaining, 208.929688 MB of memory in use. ENERGY: 4334200 730.5645 2137.6129 1973.3854 105.3103 -206055.3746 17530.2790 0.0000 0.0000 34202.3554 -149375.8672 298.6977 -183578.2226 -149285.3652 298.4394 -155.7673 -123.8413 557657.9424 -9.9118 -10.1186 PRESSURE: 4334400 -207.332 95.0437 198.671 95.044 -217.215 -95.8988 198.669 -95.8977 -149.722 GPRESSURE: 4334400 -199.477 116.624 158.925 59.7744 -156.971 -144.186 186.171 -131.572 -124.258 PRESSAVG: 4334400 29.9082 63.4503 69.1863 63.4503 -17.8113 -33.5263 69.1863 -33.5262 -18.9984 GPRESSAVG: 4334400 29.604 66.255 71.4009 62.1917 -17.9193 -35.8244 68.4201 -33.1775 -18.6782 TIMING: 4334400 CPU: 13019.9, 0.00304319/step Wall: 13019.9, 0.00304319/step, 0.562652 hours remaining, 208.929688 MB of memory in use. ENERGY: 4334400 737.0477 2099.5506 1932.0929 109.4835 -205933.1354 17460.5067 0.0000 0.0000 34210.2840 -149384.1699 298.7669 -183594.4540 -149279.5881 298.7613 -191.4228 -160.2354 557027.2994 -2.3005 -2.3312 PRESSURE: 4334600 409.685 76.5336 -173.73 76.533 117.111 221.72 -173.73 221.721 93.8271 GPRESSURE: 4334600 434.534 177.629 -60.4099 67.8725 144.946 186.95 -164.407 180.525 151.235 PRESSAVG: 4334600 -17.9174 39.2551 -14.0373 39.2552 -10.209 74.1338 -14.0373 74.1339 44.2734 GPRESSAVG: 4334600 -18.196 38.2998 -15.6245 40.0864 -8.98903 76.0424 -14.2514 72.1698 43.6032 TIMING: 4334600 CPU: 13020.5, 0.00303804/step Wall: 13020.5, 0.00303804/step, 0.561531 hours remaining, 208.929688 MB of memory in use. ENERGY: 4334600 718.6466 2079.2193 1931.1449 110.4253 -206491.6336 17967.8949 0.0000 0.0000 34148.4448 -149535.8578 298.2269 -183684.3026 -149438.4366 298.8445 206.8745 243.5716 554450.0865 5.3824 5.4727 PRESSURE: 4334800 -136 75.3292 68.8359 75.3302 -215.713 -25.2489 68.837 -25.2486 94.0605 GPRESSURE: 4334800 -77.0539 42.643 111.544 93.028 -166.763 -70.7769 -15.401 -30.9503 86.9274 PRESSAVG: 4334800 -1.12972 4.90202 -17.7856 4.90204 51.503 14.4979 -17.7856 14.498 -56.9624 GPRESSAVG: 4334800 -1.3279 5.8067 -17.9561 2.98478 51.1942 15.3376 -17.4536 15.2453 -56.3015 TIMING: 4334800 CPU: 13021.2, 0.00304256/step Wall: 13021.2, 0.00304256/step, 0.562197 hours remaining, 208.929688 MB of memory in use. ENERGY: 4334800 767.4736 2052.2482 1941.6290 99.9741 -206425.5970 17861.5981 0.0000 0.0000 34163.1746 -149539.4993 298.3555 -183702.6739 -149441.2804 298.6791 -85.8840 -52.2965 556451.4478 -2.1964 -2.1451 PRESSURE: 4335000 -63.6609 -33.8306 146.257 -33.8317 -39.5846 -107.528 146.258 -107.529 -87.5909 GPRESSURE: 4335000 -62.9029 -1.91328 151.995 -30.6908 8.33701 -81.3585 76.5128 -85.0149 -38.6764 PRESSAVG: 4335000 -22.4154 27.828 -33.3886 27.828 31.825 20.0013 -33.3887 20.0013 40.67 GPRESSAVG: 4335000 -23.2806 27.8348 -33.387 26.3916 31.7922 17.8448 -33.6843 22.3054 41.6524 TIMING: 4335000 CPU: 13021.8, 0.00301988/step Wall: 13021.8, 0.00301988/step, 0.55784 hours remaining, 208.929688 MB of memory in use. ENERGY: 4335000 745.1759 2120.9039 1947.6418 112.8266 -206291.8537 17706.9705 0.0000 0.0000 34220.0848 -149438.2502 298.8525 -183658.3349 -149343.9407 298.6335 -63.6122 -31.0808 557065.3112 16.6932 16.7213 PRESSURE: 4335200 -112.761 -48.407 -123.254 -48.4054 -157.707 -205.555 -123.255 -205.554 68.0522 GPRESSURE: 4335200 -51.5993 -64.6885 -124.015 19.5729 -148.931 -246.213 -53.2966 -161.77 98.4521 PRESSAVG: 4335200 13.5473 -32.0502 11.0716 -32.0502 60.8803 -36.7644 11.0715 -36.7644 -3.60702 GPRESSAVG: 4335200 14.9673 -33.6148 12.19 -31.5962 60.7362 -34.9491 11.2568 -37.6341 -5.28289 TIMING: 4335200 CPU: 13022.4, 0.00304365/step Wall: 13022.4, 0.00304365/step, 0.562061 hours remaining, 208.929688 MB of memory in use. ENERGY: 4335200 790.4971 2075.5568 1945.8523 112.9528 -206179.1324 17798.8157 0.0000 0.0000 34221.8515 -149233.6062 298.8679 -183455.4577 -149137.6118 299.2725 -67.4719 -34.0260 556853.2522 23.6068 23.4735 PRESSURE: 4335400 -189.055 -46.4164 103.945 -46.4163 -189.426 17.4042 103.945 17.4051 -79.4654 GPRESSURE: 4335400 -181.042 -45.2341 161.865 -91.2781 -94.8919 52.4915 -39.5781 -79.478 -80.1329 PRESSAVG: 4335400 12.7272 -71.0853 33.9611 -71.0853 -85.3669 2.43626 33.9611 2.43643 39.1288 GPRESSAVG: 4335400 12.1936 -71.0285 33.3884 -70.7741 -85.0697 0.0590928 32.1088 2.06357 39.2246 TIMING: 4335400 CPU: 13023, 0.00302839/step Wall: 13023, 0.00302839/step, 0.559074 hours remaining, 208.929688 MB of memory in use. ENERGY: 4335400 725.4620 2050.4268 1932.5949 107.6494 -206042.8857 17649.6862 0.0000 0.0000 34360.0512 -149217.0152 300.0749 -183577.0664 -149117.8950 299.0062 -152.6488 -118.6888 558869.8913 -11.1703 -11.2172 PRESSURE: 4335600 -310.703 -336.926 -64.0844 -336.926 -136.215 51.425 -64.0839 51.426 -692.975 GPRESSURE: 4335600 -239.944 -358.075 -2.86166 -316.155 -152.786 69.8942 -68.9148 66.2201 -651.401 PRESSAVG: 4335600 67.9762 -51.5047 -30.8437 -51.5047 -59.6554 -0.138912 -30.8437 -0.138962 -10.615 GPRESSAVG: 4335600 69.0199 -50.6548 -29.3292 -50.7634 -60.224 0.569645 -30.3633 -0.336298 -11.0318 TIMING: 4335600 CPU: 13023.6, 0.00304091/step Wall: 13023.6, 0.00304091/step, 0.561216 hours remaining, 208.929688 MB of memory in use. ENERGY: 4335600 756.5446 2062.5463 1948.4237 110.2851 -205828.2796 17263.8316 0.0000 0.0000 34340.6884 -149345.9598 299.9058 -183686.6482 -149248.8905 298.9343 -379.9643 -348.0437 557316.6151 -0.7647 -0.7453 PRESSURE: 4335800 -265.606 130.914 -160.319 130.914 -316.23 73.0402 -160.319 73.0397 -65.5965 GPRESSURE: 4335800 -257.708 122.095 -105.287 132.024 -219 114.086 -171.301 -62.0004 -66.3225 PRESSAVG: 4335800 47.8056 -11.4245 -5.13586 -11.4245 47.1601 -8.35887 -5.13584 -8.3589 -11.4079 GPRESSAVG: 4335800 47.9517 -10.551 -3.44175 -11.9208 47.0174 -7.74206 -5.96332 -9.12787 -11.4733 TIMING: 4335800 CPU: 13024.2, 0.00303101/step Wall: 13024.2, 0.00303101/step, 0.559222 hours remaining, 208.929688 MB of memory in use. ENERGY: 4335800 762.3176 2031.8324 1947.2545 105.6409 -206081.6418 17560.1666 0.0000 0.0000 34229.6719 -149444.7578 298.9362 -183674.4297 -149340.8216 299.0524 -215.8108 -181.0103 557580.5881 27.8526 27.8320 PRESSURE: 4336000 59.3444 -68.9153 -63.3909 -68.9159 -157.529 155.618 -63.3921 155.621 245.546 GPRESSURE: 4336000 55.1094 0.687571 -45.0092 -115.088 -130.397 32.6107 -62.4274 210.993 316.935 PRESSAVG: 4336000 28.8724 7.94186 -39.4271 7.94182 -60.4607 7.82312 -39.4271 7.8231 40.5103 GPRESSAVG: 4336000 27.0731 7.74199 -42.7271 8.80754 -59.6505 6.61014 -35.525 9.1699 40.7977 TIMING: 4336000 CPU: 13024.8, 0.00304646/step Wall: 13024.8, 0.00304646/step, 0.561902 hours remaining, 208.929688 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: 4336000 726.2929 2092.6345 1928.0588 101.8538 -206644.1369 18088.7350 0.0000 0.0000 34358.9540 -149347.6077 300.0653 -183706.5618 -149252.1170 299.2055 49.1207 80.5492 558702.0532 2.9740 2.7401 PRESSURE: 4336200 -33.6721 166.745 76.8394 166.746 62.5121 61.0131 76.8398 61.0134 181.959 GPRESSURE: 4336200 12.7022 107.563 5.15081 162.031 69.5145 12.3936 150.186 52.1586 229.981 PRESSAVG: 4336200 -14.6475 15.3343 6.35035 15.3342 -10.9947 18.0363 6.35037 18.0361 3.33302 GPRESSAVG: 4336200 -14.4126 13.8943 6.97059 15.7354 -11.1062 20.5197 1.74469 16.9636 2.51925 TIMING: 4336200 CPU: 13025.4, 0.00304211/step Wall: 13025.4, 0.00304211/step, 0.560932 hours remaining, 208.929688 MB of memory in use. ENERGY: 4336200 756.1685 2109.3494 1929.7387 116.8884 -206228.2390 17891.5879 0.0000 0.0000 34185.7395 -149238.7664 298.5526 -183424.5060 -149141.4884 299.7138 70.2662 104.0660 557123.2461 -7.4364 -7.6665 LDB: ============= START OF LOAD BALANCING ============== 13028.8 LDB: ============== END OF LOAD BALANCING =============== 13028.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13028.8 LDB: ============= START OF LOAD BALANCING ============== 13029.1 LDB: Largest compute 4820 load 0.020837 is 17.6% of average load 0.118132 LDB: Average compute 0.001722 is 1.5% of average load 0.118132 LDB: TIME 13029.1 LOAD: AVG 0.118132 MAX 0.215005 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.832 MB LDB: TIME 13029.1 LOAD: AVG 0.118132 MAX 0.215005 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.832 MB LDB: TIME 13029.1 LOAD: AVG 0.118132 MAX 0.215005 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.832 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13029.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13029.2 PRESSURE: 4336400 221.964 103.741 -85.3698 103.74 130.342 208.226 -85.3701 208.224 54.8718 GPRESSURE: 4336400 281.263 145.138 -109.101 80.9504 158.505 109.633 8.74192 160.091 48.6721 PRESSAVG: 4336400 13.3036 49.2864 -72.0737 49.2864 -19.0008 -3.20554 -72.0737 -3.20543 -5.26283 GPRESSAVG: 4336400 13.4031 50.7054 -71.2533 48.5009 -19.8076 -4.51222 -71.0071 -2.1045 -4.90745 TIMING: 4336400 CPU: 13026, 0.0030907/step Wall: 13026, 0.0030907/step, 0.569718 hours remaining, 207.367188 MB of memory in use. ENERGY: 4336400 720.4593 2133.7723 1949.4380 120.4882 -206483.3810 17997.6475 0.0000 0.0000 34219.9935 -149341.5822 298.8517 -183561.5757 -149243.2374 298.9632 135.7260 162.8133 557011.5833 -3.6534 -3.7706 PRESSURE: 4336600 -57.4473 -86.5591 -76.2063 -86.5576 113.461 -11.6286 -76.2056 -11.6287 -119.081 GPRESSURE: 4336600 3.59863 -119.988 19.292 -42.6994 116.502 81.4885 -160.754 -48.0298 -75.5317 PRESSAVG: 4336600 5.35945 -63.7269 -42.2327 -63.7269 -31.256 -19.3422 -42.2328 -19.3422 14.0894 GPRESSAVG: 4336600 5.13203 -65.569 -42.8284 -63.6751 -29.9306 -17.8496 -40.9594 -18.761 13.3309 TIMING: 4336600 CPU: 13026.6, 0.00299856/step Wall: 13026.6, 0.00299856/step, 0.552568 hours remaining, 207.570312 MB of memory in use. ENERGY: 4336600 743.0054 2096.4646 1953.9665 112.8809 -206061.1735 17662.7534 0.0000 0.0000 34078.0741 -149414.0284 297.6123 -183492.1025 -149307.7491 298.8545 -21.0225 14.8563 557775.2912 -3.9357 -3.8226 PRESSURE: 4336800 56.9805 -94.7685 -95.9865 -94.7688 30.4813 122.491 -95.987 122.492 -225.519 GPRESSURE: 4336800 60.2623 -67.7489 -123.335 -52.568 57.5106 178.147 -151.122 38.2998 -169.11 PRESSAVG: 4336800 25.4697 -71.4373 -11.9537 -71.4373 -63.6071 -34.4683 -11.9537 -34.4682 30.7069 GPRESSAVG: 4336800 25.3115 -70.3847 -10.8562 -72.8998 -63.8522 -35.4357 -13.8154 -36.1208 30.5737 TIMING: 4336800 CPU: 13027.2, 0.0030225/step Wall: 13027.2, 0.0030225/step, 0.556812 hours remaining, 207.570312 MB of memory in use. ENERGY: 4336800 732.8390 2055.0858 1935.3329 102.5384 -206157.7300 17770.5983 0.0000 0.0000 34129.2712 -149432.0645 298.0594 -183561.3357 -149332.7735 298.5804 -46.0189 -17.1125 557227.0108 -2.4768 -2.6557 PRESSURE: 4337000 -146.718 -107.436 52.2862 -107.435 -100.967 237.349 52.2858 237.348 -140.233 GPRESSURE: 4337000 -162.008 -83.2043 34.5342 -64.1797 -30.7585 170.397 62.993 212.357 -95.9127 PRESSAVG: 4337000 3.56376 -73.2895 -12.019 -73.2896 43.1254 7.83406 -12.0191 7.83425 -31.9781 GPRESSAVG: 4337000 3.29464 -72.803 -14.1158 -72.8422 42.0806 7.59613 -8.88331 8.84509 -31.2837 TIMING: 4337000 CPU: 13027.8, 0.00300612/step Wall: 13027.8, 0.00300612/step, 0.553627 hours remaining, 207.570312 MB of memory in use. ENERGY: 4337000 749.3396 2086.2216 1922.9688 109.6684 -206124.8206 17584.0782 0.0000 0.0000 34068.2488 -149604.2952 297.5265 -183672.5440 -149511.4776 298.0449 -129.3061 -96.2264 555996.8295 4.9037 4.6972 PRESSURE: 4337200 -363.497 -193.631 4.73374 -193.631 -223.016 -188.828 4.73482 -188.83 6.63758 GPRESSURE: 4337200 -313.966 -138.097 91.0886 -203.55 -219.954 -177.829 -99.8365 -202.468 51.6099 PRESSAVG: 4337200 -21.2034 4.7555 -5.78833 4.75559 -14.6922 -14.1071 -5.78838 -14.1072 27.2142 GPRESSAVG: 4337200 -20.9531 4.19068 -3.74832 5.89021 -14.5635 -10.8405 -6.57325 -15.5787 26.8923 TIMING: 4337200 CPU: 13028.4, 0.0030428/step Wall: 13028.4, 0.0030428/step, 0.560214 hours remaining, 207.570312 MB of memory in use. ENERGY: 4337200 775.2236 2014.5359 1950.2194 124.8118 -206043.5042 17535.6466 0.0000 0.0000 33959.4876 -149683.5792 296.5767 -183643.0668 -149590.3385 297.8425 -193.2917 -160.7700 556870.6231 -2.8938 -2.8748 PRESSURE: 4337400 150.525 117.364 220.612 117.364 -33.5336 -203.563 220.611 -203.562 87.3351 GPRESSURE: 4337400 175.994 75.0997 171.653 95.7423 -24.0559 -197.032 218.149 -205.54 148.926 PRESSAVG: 4337400 -18.3481 -53.2334 11.3345 -53.2333 14.76 -46.966 11.3344 -46.9661 -2.90095 GPRESSAVG: 4337400 -18.2187 -52.5113 11.8767 -53.8012 15.01 -49.8394 10.0415 -45.5443 -3.10277 TIMING: 4337400 CPU: 13029, 0.00304723/step Wall: 13029, 0.00304723/step, 0.56086 hours remaining, 207.570312 MB of memory in use. ENERGY: 4337400 752.8085 2050.2412 1928.6117 123.8734 -206574.5781 17985.3859 0.0000 0.0000 34015.4264 -149718.2310 297.0652 -183733.6574 -149622.9563 297.9000 68.1087 100.2881 557115.5476 -2.1630 -2.1038 PRESSURE: 4337600 -43.1188 76.7155 -11.0531 76.7139 14.8705 -21.8647 -11.0543 -21.8649 -51.024 GPRESSURE: 4337600 -53.4821 194.947 55.9364 0.793338 81.0503 1.53633 -38.8375 -87.4459 -10.9558 PRESSAVG: 4337600 5.56203 7.08583 4.47319 7.08596 26.3956 5.478 4.47321 5.47799 -16.1386 GPRESSAVG: 4337600 6.16032 8.15726 1.87563 5.97804 25.4165 3.90925 5.33894 6.72488 -16.4535 TIMING: 4337600 CPU: 13029.7, 0.00305224/step Wall: 13029.7, 0.00305224/step, 0.561613 hours remaining, 207.570312 MB of memory in use. ENERGY: 4337600 748.1443 2098.1286 1936.4160 106.7685 -206419.6778 17835.5761 0.0000 0.0000 34161.5288 -149533.1154 298.3411 -183694.6442 -149437.0115 298.1236 -26.4241 5.5375 558345.1000 5.2730 5.0411 PRESSURE: 4337800 -127.31 -53.7427 -118.828 -53.7416 152.642 -87.2144 -118.827 -87.2144 -2.97173 GPRESSURE: 4337800 -124.027 -54.8983 -108.97 -72.3628 223.844 -36.409 -227.449 -101.863 39.1661 PRESSAVG: 4337800 5.87768 63.3992 36.1754 63.3992 1.37303 -29.8521 36.1754 -29.852 -7.75688 GPRESSAVG: 4337800 4.1991 62.5395 35.763 64.9044 1.37146 -27.1701 35.4125 -32.7422 -6.22932 TIMING: 4337800 CPU: 13030.3, 0.0030755/step Wall: 13030.3, 0.0030755/step, 0.565721 hours remaining, 207.570312 MB of memory in use. ENERGY: 4337800 726.9064 2033.8144 1923.4856 111.3621 -206224.0155 17876.2829 0.0000 0.0000 34189.5056 -149362.6585 298.5855 -183552.1641 -149266.0147 298.2406 7.4535 46.3277 556996.7263 -0.1687 -0.2196 PRESSURE: 4338000 163.327 81.5047 133.209 81.503 176.3 -28.517 133.207 -28.518 68.9112 GPRESSURE: 4338000 139.471 -36.856 133.17 71.1968 253.226 67.1084 154.714 -36.0442 119.925 PRESSAVG: 4338000 -10.22 7.31847 -22.4648 7.31838 12.7828 -11.2761 -22.4647 -11.276 12.522 GPRESSAVG: 4338000 -10.3608 6.25795 -21.4522 6.29889 13.6994 -11.5199 -22.7818 -8.84024 11.4827 TIMING: 4338000 CPU: 13030.9, 0.00308165/step Wall: 13030.9, 0.00308165/step, 0.566681 hours remaining, 207.570312 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: 4338000 754.1898 2030.5947 1964.0989 120.3997 -206865.5162 18179.0113 0.0000 0.0000 34401.6177 -149415.6040 300.4379 -183817.2218 -149323.8247 298.9567 136.1794 170.8739 556819.7840 5.0283 4.9404 PRESSURE: 4338200 92.9292 90.9145 68.1634 90.9146 402.728 26.8908 68.1626 26.8887 -72.8116 GPRESSURE: 4338200 159.401 145.051 1.17878 87.17 414.477 -27.365 95.3498 74.7767 -57.6892 PRESSAVG: 4338200 17.2926 24.0632 28.9681 24.0631 43.9694 -30.1569 28.9681 -30.1569 -81.1663 GPRESSAVG: 4338200 17.3761 25.8088 28.991 25.006 44.3258 -29.526 30.3087 -32.6623 -81.333 TIMING: 4338200 CPU: 13031.5, 0.00308696/step Wall: 13031.5, 0.00308696/step, 0.567486 hours remaining, 207.570312 MB of memory in use. ENERGY: 4338200 741.2158 2124.6217 1917.1285 113.3808 -206292.8220 17793.7778 0.0000 0.0000 34339.1351 -149263.5624 299.8922 -183602.6975 -149162.9523 299.6000 140.9485 172.0631 556353.7940 -6.6348 -6.5437 PRESSURE: 4338400 -227.166 -33.9403 134.698 -33.9403 -119.162 -16.8259 134.697 -16.8248 150.585 GPRESSURE: 4338400 -197.875 -72.804 138.843 8.05602 -82.756 132.537 58.1706 -45.9303 174.583 PRESSAVG: 4338400 68.5112 4.4617 56.3965 4.46162 -30.059 25.4069 56.3966 25.4069 2.48147 GPRESSAVG: 4338400 70.1295 3.41806 58.0866 5.01782 -30.0351 26.3468 54.5363 26.0549 0.591094 TIMING: 4338400 CPU: 13032.1, 0.00309115/step Wall: 13032.1, 0.00309115/step, 0.568084 hours remaining, 207.570312 MB of memory in use. ENERGY: 4338400 764.0976 2026.4113 1943.6395 105.4463 -205923.2395 17675.6185 0.0000 0.0000 34209.7754 -149198.2509 298.7625 -183408.0263 -149101.6202 298.9267 -65.2473 -35.3492 555963.0775 13.6445 13.5618 PRESSURE: 4338600 294.347 38.3312 62.6761 38.33 34.2935 185.536 62.6758 185.537 -238.841 GPRESSURE: 4338600 368.733 -50.3511 55.3334 55.3931 47.9899 86.0319 59.8754 274.103 -231.95 PRESSAVG: 4338600 -29.4135 17.8442 -3.68946 17.8441 14.0216 49.8801 -3.68953 49.8801 48.452 GPRESSAVG: 4338600 -30.7928 19.1841 -4.19721 15.2602 14.3013 48.2541 -1.98604 50.7873 49.8533 TIMING: 4338600 CPU: 13032.7, 0.00301989/step Wall: 13032.7, 0.00301989/step, 0.554821 hours remaining, 207.570312 MB of memory in use. ENERGY: 4338600 742.5292 2057.9750 1927.0568 110.5606 -206243.0770 17841.9376 0.0000 0.0000 34289.1448 -149273.8730 299.4556 -183563.0178 -149178.7754 299.1142 29.9333 61.5910 556018.7211 11.0201 11.1206 PRESSURE: 4338800 -160.351 14.4892 -111.061 14.4907 -21.7036 -187.137 -111.06 -187.136 -123.464 GPRESSURE: 4338800 -117.397 -32.1607 -191.455 -22.164 -58.229 -262.064 -42.3132 -113.164 -35.6827 PRESSAVG: 4338800 34.5215 -5.03812 9.25254 -5.03811 34.3139 1.77264 9.25243 1.77265 -63.6416 GPRESSAVG: 4338800 34.0819 -7.23898 7.61346 -4.54119 34.7682 1.36425 10.0939 1.84108 -63.0613 TIMING: 4338800 CPU: 13033.3, 0.00303903/step Wall: 13033.3, 0.00303903/step, 0.558168 hours remaining, 207.570312 MB of memory in use. ENERGY: 4338800 705.8203 2058.2736 1973.8790 125.0615 -205863.4066 17480.5410 0.0000 0.0000 34188.6749 -149331.1564 298.5782 -183519.8313 -149231.8907 298.6861 -101.8394 -70.4361 556269.2013 1.7312 1.9296 PRESSURE: 4339000 66.3903 6.66554 -198.394 6.66693 59.6733 -144.747 -198.394 -144.748 -286.404 GPRESSURE: 4339000 85.2408 56.5211 -224.74 15.3854 97.328 -160.131 -146.464 -151.305 -245.549 PRESSAVG: 4339000 9.22153 -18.7513 6.01831 -18.7514 27.0781 -33.2404 6.01836 -33.2404 -53.9121 GPRESSAVG: 4339000 10.1701 -14.9701 7.25867 -18.4281 27.0561 -33.1072 5.12772 -33.4848 -54.8522 TIMING: 4339000 CPU: 13033.9, 0.00304797/step Wall: 13033.9, 0.00304797/step, 0.559642 hours remaining, 207.570312 MB of memory in use. ENERGY: 4339000 724.4193 2020.1659 1932.9846 135.7749 -206038.0981 17617.0486 0.0000 0.0000 34292.6766 -149315.0282 299.4865 -183607.7048 -149215.3780 299.2202 -53.4467 -20.9935 557378.8263 -5.8708 -5.8754 PRESSURE: 4339200 -305.066 111.125 -1.77578 111.124 -150.793 -139.982 -1.77498 -139.981 -110.787 GPRESSURE: 4339200 -261.22 161.403 -63.4554 68.771 -125.956 -160.329 -22.6725 -109.88 -77.0857 PRESSAVG: 4339200 -49.5581 -21.3213 4.61442 -21.3214 -8.97248 -18.4453 4.61445 -18.4453 43.4094 GPRESSAVG: 4339200 -50.1438 -22.9168 1.94665 -21.5424 -8.71637 -18.2167 5.02908 -19.6655 43.6146 TIMING: 4339200 CPU: 13034.6, 0.00305689/step Wall: 13034.6, 0.00305689/step, 0.56111 hours remaining, 207.570312 MB of memory in use. ENERGY: 4339200 735.0811 2081.0892 1960.1802 107.5996 -206032.8059 17419.6631 0.0000 0.0000 34324.6651 -149404.5276 299.7658 -183729.1927 -149302.2077 298.1954 -188.8820 -154.7539 557570.8133 -5.0404 -5.0819 PRESSURE: 4339400 -28.409 -4.00182 74.874 -4.00331 -192.754 223.521 74.8744 223.522 -139.324 GPRESSURE: 4339400 -11.137 -31.3031 55.5117 44.4099 -88.7477 256.141 26.3549 182.137 -159.714 PRESSAVG: 4339400 -44.5929 40.8138 1.684 40.8138 -16.5112 -38.5119 1.68392 -38.5119 43.1266 GPRESSAVG: 4339400 -43.1132 39.8881 3.40105 41.0296 -18.4305 -38.8159 3.22462 -35.2679 44.1195 TIMING: 4339400 CPU: 13035.2, 0.00304382/step Wall: 13035.2, 0.00304382/step, 0.558541 hours remaining, 207.570312 MB of memory in use. ENERGY: 4339400 728.9044 2052.7967 1939.5386 106.9774 -206078.7307 17569.8116 0.0000 0.0000 34328.4038 -149352.2982 299.7985 -183680.7019 -149252.4717 297.8235 -120.1624 -86.5328 557459.6255 -5.9925 -5.8081 PRESSURE: 4339600 36.2239 41.88 -48.3519 41.88 22.1904 -160.011 -48.3503 -160.011 51.9178 GPRESSURE: 4339600 2.63183 5.7029 -71.33 67.222 79.025 -203.607 6.60245 -95.9624 117.648 PRESSAVG: 4339600 1.27218 0.741333 -15.9178 0.741279 -34.1216 46.0071 -15.9178 46.0071 -12.5911 GPRESSAVG: 4339600 0.287198 -0.606069 -16.2919 2.58216 -33.2479 46.0259 -14.8196 45.0901 -12.2871 TIMING: 4339600 CPU: 13035.8, 0.00304159/step Wall: 13035.8, 0.00304159/step, 0.557964 hours remaining, 207.570312 MB of memory in use. ENERGY: 4339600 748.7324 2093.1677 1934.1343 111.9522 -206620.1312 18003.7403 0.0000 0.0000 34313.7733 -149414.6309 299.6707 -183728.4042 -149322.2330 299.7564 36.7774 66.4348 557346.4772 -15.1469 -15.0826 PRESSURE: 4339800 36.5978 -119.682 35.385 -119.683 56.7248 60.5983 35.3859 60.5986 -53.9317 GPRESSURE: 4339800 125.3 -50.8622 -6.98837 -192.276 62.2956 53.1144 20.9802 72.3572 -51.696 PRESSAVG: 4339800 2.80154 -16.9115 -10.3982 -16.9115 21.1387 18.0021 -10.3981 18.0021 -37.5963 GPRESSAVG: 4339800 3.32823 -14.6236 -10.8742 -20.0154 22.0067 21.4952 -10.8388 15.8605 -38.7395 TIMING: 4339800 CPU: 13036.4, 0.00303341/step Wall: 13036.4, 0.00303341/step, 0.556294 hours remaining, 207.570312 MB of memory in use. ENERGY: 4339800 742.5151 2103.9074 1949.7793 94.0617 -206650.6612 18087.3668 0.0000 0.0000 34272.1511 -149400.8798 299.3072 -183673.0309 -149304.2581 298.7246 13.1303 45.2997 557394.1847 -4.5520 -4.4682 PRESSURE: 4340000 19.5262 23.2937 17.9054 23.2932 118.829 -42.3402 17.9058 -42.3419 -88.5765 GPRESSURE: 4340000 28.5124 -16.6509 18.4771 12.5842 154.791 13.9948 55.3588 -109.72 -39.2396 PRESSAVG: 4340000 31.0133 11.3702 -0.497694 11.3701 -3.45034 -13.7976 -0.497659 -13.7976 -2.37084 GPRESSAVG: 4340000 29.9641 9.75871 0.315632 14.7738 -3.24032 -16.5723 -0.350204 -12.708 -1.4577 TIMING: 4340000 CPU: 13037, 0.0030447/step Wall: 13037, 0.0030447/step, 0.558194 hours remaining, 207.570312 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: 4340000 720.6186 2114.6510 1927.6223 125.3047 -206442.6993 17955.2228 0.0000 0.0000 34188.8164 -149410.4635 298.5794 -183599.2799 -149310.8072 298.5759 16.5928 48.0213 557569.2611 8.3974 8.4220 PRESSURE: 4340200 -20.3347 194.013 157.983 194.013 -169.382 60.2195 157.982 60.2177 -134.167 GPRESSURE: 4340200 -43.8767 131.642 91.0694 191.782 -83.7055 56.3772 203.465 40.9964 -106.326 PRESSAVG: 4340200 34.0164 -27.462 18.3791 -27.462 -34.4908 -31.8515 18.3791 -31.8515 -22.8173 GPRESSAVG: 4340200 33.9094 -26.9427 18.1519 -28.1903 -34.2559 -31.5049 16.3768 -32.9875 -23.1578 TIMING: 4340200 CPU: 13037.6, 0.00304611/step Wall: 13037.6, 0.00304611/step, 0.558284 hours remaining, 207.570312 MB of memory in use. ENERGY: 4340200 762.2150 2065.1193 1934.3211 120.9903 -206387.3861 17696.2378 0.0000 0.0000 34448.7045 -149359.7982 300.8491 -183808.5027 -149269.2543 298.5062 -107.9610 -77.9693 558181.5326 -7.7639 -7.8348 LDB: ============= START OF LOAD BALANCING ============== 13041 LDB: ============== END OF LOAD BALANCING =============== 13041 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13041 LDB: ============= START OF LOAD BALANCING ============== 13041.3 LDB: Largest compute 4822 load 0.021559 is 18.2% of average load 0.118284 LDB: Average compute 0.001723 is 1.5% of average load 0.118284 LDB: TIME 13041.3 LOAD: AVG 0.118284 MAX 0.220805 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.137 MB LDB: TIME 13041.3 LOAD: AVG 0.118284 MAX 0.220805 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.379 MB LDB: TIME 13041.3 LOAD: AVG 0.118284 MAX 0.220805 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.379 MB LDB: ============== END OF LOAD BALANCING =============== 13041.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13041.4 PRESSURE: 4340400 -349.127 36.8621 -114.879 36.8625 -71.494 -156.301 -114.879 -156.302 144.662 GPRESSURE: 4340400 -350.353 68.8032 -111.636 3.62072 51.137 -56.1567 -100.085 -142.088 113.386 PRESSAVG: 4340400 28.7453 34.7185 62.0542 34.7185 30.1563 41.9958 62.0542 41.9957 -30.1752 GPRESSAVG: 4340400 29.805 34.0192 62.7322 33.4491 30.5149 42.9694 62.6727 43.8542 -31.0559 TIMING: 4340400 CPU: 13038.2, 0.00312176/step Wall: 13038.2, 0.00312176/step, 0.571976 hours remaining, 206.847656 MB of memory in use. ENERGY: 4340400 706.9252 2097.8513 1923.4463 108.9310 -206214.9306 17739.6222 0.0000 0.0000 34185.7738 -149452.3807 298.5529 -183638.1545 -149347.7970 298.1842 -91.9865 -61.9433 558869.2432 9.5755 9.7546 PRESSURE: 4340600 73.4396 46.2068 -9.77487 46.2068 -64.2639 57.139 -9.77457 57.1393 -83.9843 GPRESSURE: 4340600 108.677 -7.31375 5.946 88.4539 -1.13728 40.6913 -6.91535 56.7909 -85.9532 PRESSAVG: 4340600 -7.59499 1.62739 61.0937 1.62738 -9.83101 87.6887 61.0937 87.6887 20.5492 GPRESSAVG: 4340600 -6.93444 3.54445 60.4127 1.71633 -10.8551 87.1455 60.2644 88.1695 20.5728 TIMING: 4340600 CPU: 13038.8, 0.00304547/step Wall: 13038.8, 0.00304547/step, 0.557829 hours remaining, 206.847656 MB of memory in use. ENERGY: 4340600 715.7100 2065.4447 1925.3239 110.2123 -206267.8576 17835.3684 0.0000 0.0000 34167.2833 -149448.5151 298.3914 -183615.7984 -149357.1118 298.1153 -24.9362 7.1954 559058.2846 1.0411 0.9278 PRESSURE: 4340800 74.523 -8.56541 -100.713 -8.564 -96.4431 210.36 -100.713 210.361 -352.858 GPRESSURE: 4340800 67.668 -3.17175 -74.6225 -33.7944 -98.4596 323.187 -110.516 138.929 -240.52 PRESSAVG: 4340800 -16.3096 -65.5505 -53.9413 -65.5505 -35.0335 20.6233 -53.9414 20.6233 -1.34249 GPRESSAVG: 4340800 -17.2681 -65.5717 -52.1389 -65.4273 -34.4981 21.1362 -51.6433 18.4469 -1.00426 TIMING: 4340800 CPU: 13039.4, 0.00301582/step Wall: 13039.4, 0.00301582/step, 0.55223 hours remaining, 206.847656 MB of memory in use. ENERGY: 4340800 747.0109 2045.5307 1948.4839 112.3069 -206115.0929 17667.0184 0.0000 0.0000 34236.9891 -149357.7530 299.0001 -183594.7421 -149261.9866 298.1844 -124.9262 -90.4371 555763.2245 -17.5619 -17.5902 PRESSURE: 4341000 268.093 8.72378 -140.693 8.72394 65.6697 -277.428 -140.692 -277.428 -109.981 GPRESSURE: 4341000 352.049 111.371 -151.864 17.3354 48.3798 -310.102 -124.719 -298.411 -82.0521 PRESSAVG: 4341000 72.345 21.9392 -26.0067 21.9393 -11.0999 1.44929 -26.0068 1.44931 -15.757 GPRESSAVG: 4341000 73.5595 21.7844 -27.4833 22.0855 -12.6691 -2.40942 -26.6391 1.61017 -15.9708 TIMING: 4341000 CPU: 13040, 0.00301318/step Wall: 13040, 0.00301318/step, 0.551578 hours remaining, 206.847656 MB of memory in use. ENERGY: 4341000 721.3900 2075.2881 1949.6691 108.4381 -206477.2622 17909.3513 0.0000 0.0000 34387.1641 -149325.9615 300.3117 -183713.1256 -149226.3683 299.1859 74.5940 106.1257 555642.0463 15.1627 14.9732 PRESSURE: 4341200 -179.903 36.2833 81.6854 36.284 -305.466 -77.943 81.6861 -77.9429 -180.677 GPRESSURE: 4341200 -129.169 36.9407 102.915 80.5892 -261.986 -41.8531 112.399 -59.2898 -188.977 PRESSAVG: 4341200 -28.7333 54.6425 -16.0913 54.6426 18.2785 -38.5629 -16.0911 -38.5627 6.94168 GPRESSAVG: 4341200 -29.0055 54.541 -15.7387 55.6022 18.2967 -35.3137 -15.9611 -38.5168 6.7407 TIMING: 4341200 CPU: 13040.6, 0.00299473/step Wall: 13040.6, 0.00299473/step, 0.548036 hours remaining, 206.847656 MB of memory in use. ENERGY: 4341200 728.7221 2013.8379 1960.0457 117.9235 -205795.2599 17458.5215 0.0000 0.0000 34170.5933 -149345.6159 298.4203 -183516.2092 -149246.1352 299.2636 -222.0153 -193.3775 557479.2338 -1.1710 -1.3227 PRESSURE: 4341400 -156.738 -103.592 -150.333 -103.592 -47.9984 53.542 -150.334 53.5429 -253.078 GPRESSURE: 4341400 -93.997 -7.76189 -154.857 -70.3666 -3.63529 24.1073 -198.466 69.8798 -267.634 PRESSAVG: 4341400 -26.3901 2.45942 -15.4022 2.45938 32.1002 -44.0594 -15.4023 -44.0596 -24.1877 GPRESSAVG: 4341400 -26.431 2.1009 -16.1337 2.51476 32.1492 -43.7663 -16.641 -43.0794 -24.149 TIMING: 4341400 CPU: 13041.2, 0.0030452/step Wall: 13041.2, 0.0030452/step, 0.557103 hours remaining, 206.847656 MB of memory in use. ENERGY: 4341400 734.1560 2054.7314 1941.4052 103.6756 -205906.4448 17511.5161 0.0000 0.0000 34237.3386 -149323.6219 299.0032 -183560.9605 -149224.2906 298.7600 -152.6047 -121.7554 556684.1643 -6.1592 -6.1436 PRESSURE: 4341600 -31.2906 -10.6513 -41.4108 -10.6513 9.99445 27.5019 -41.411 27.5028 -281.81 GPRESSURE: 4341600 -10.0725 26.2505 -169.122 -78.2508 77.5188 -28.1619 34.3366 70.2795 -264.373 PRESSAVG: 4341600 -9.3389 -43.0764 -33.3514 -43.0764 -13.583 -3.08068 -33.3515 -3.08066 26.4445 GPRESSAVG: 4341600 -9.32235 -43.5926 -34.2645 -42.4482 -13.2376 -5.85426 -32.759 -1.75689 25.9687 TIMING: 4341600 CPU: 13041.9, 0.0030502/step Wall: 13041.9, 0.0030502/step, 0.557848 hours remaining, 206.847656 MB of memory in use. ENERGY: 4341600 747.3273 2035.9077 1926.4015 109.2258 -206064.2118 17715.9399 0.0000 0.0000 34213.4924 -149315.9172 298.7949 -183529.4096 -149216.2035 298.6849 -101.0356 -65.6424 557867.7421 1.1742 1.1362 PRESSURE: 4341800 -210.421 -72.5047 -121.793 -72.5058 -229.467 2.5029 -121.792 2.50251 55.8103 GPRESSURE: 4341800 -215.26 -26.4359 -133.708 -26.3419 -128.979 -103.189 10.0843 0.469489 57.7842 PRESSAVG: 4341800 13.179 14.546 -85.8104 14.546 40.9594 5.86698 -85.8105 5.86709 -16.8467 GPRESSAVG: 4341800 13.0765 15.0083 -86.0303 13.5539 40.6624 7.17392 -83.2674 3.79673 -15.9674 TIMING: 4341800 CPU: 13042.5, 0.00303457/step Wall: 13042.5, 0.00303457/step, 0.554821 hours remaining, 206.847656 MB of memory in use. ENERGY: 4341800 716.0398 1985.0200 1959.7583 102.3646 -205842.2142 17497.1346 0.0000 0.0000 34255.2902 -149326.6067 299.1600 -183581.8969 -149224.2602 298.5173 -128.0260 -95.4850 556350.7731 12.4306 12.5905 PRESSURE: 4342000 -13.5312 -77.1863 -23.1224 -77.1869 25.0698 51.0241 -23.1228 51.0236 -46.1133 GPRESSURE: 4342000 8.98145 -68.7565 -45.5165 -164.269 39.2089 36.4739 21.9201 43.8738 14.5194 PRESSAVG: 4342000 0.865358 -42.5163 -14.6561 -42.5163 9.29354 -55.9653 -14.6561 -55.9653 29.7926 GPRESSAVG: 4342000 0.0210895 -41.3201 -12.7727 -44.6679 9.81773 -55.4881 -17.4018 -55.2633 30.2187 TIMING: 4342000 CPU: 13043.1, 0.00302966/step Wall: 13043.1, 0.00302966/step, 0.553755 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: 4342000 751.9316 2076.2291 1951.5738 102.0161 -206344.3522 17872.5089 0.0000 0.0000 34260.1403 -149329.9525 299.2023 -183590.0927 -149235.2605 298.6575 -11.5249 20.9033 556482.8208 13.3172 13.3525 PRESSURE: 4342200 1.53151 -126.443 142.284 -126.444 -156.55 176.791 142.286 176.792 -67.2898 GPRESSURE: 4342200 10.4188 -87.3916 134.713 -80.5487 -57.3902 134.539 181.691 155.716 -68.6441 PRESSAVG: 4342200 -18.8671 10.0575 -25.2857 10.0576 -16.4296 -16.0482 -25.2857 -16.0482 52.1008 GPRESSAVG: 4342200 -17.6417 9.20595 -23.7895 11.6864 -15.8241 -15.7675 -25.1271 -15.7389 50.2572 TIMING: 4342200 CPU: 13043.7, 0.00306575/step Wall: 13043.7, 0.00306575/step, 0.560181 hours remaining, 206.847656 MB of memory in use. ENERGY: 4342200 779.2544 2025.0735 1944.1371 121.4061 -206121.7945 17668.6922 0.0000 0.0000 34419.6691 -149163.5623 300.5955 -183583.2313 -149077.7172 299.2106 -74.1028 -38.5385 556598.1120 5.6014 5.5971 PRESSURE: 4342400 -132.414 -10.2164 19.233 -10.2164 156.708 -116.424 19.233 -116.425 269.578 GPRESSURE: 4342400 -126.959 -17.4979 -62.6704 -72.1971 218.161 -94.7129 82.9078 -106.331 302.994 PRESSAVG: 4342400 -17.7263 -37.7954 6.60633 -37.7953 27.9531 5.75247 6.60631 5.75241 8.47749 GPRESSAVG: 4342400 -19.5166 -39.2074 4.34149 -36.3843 28.643 4.6276 8.25019 5.19725 9.04832 TIMING: 4342400 CPU: 13044.3, 0.00302115/step Wall: 13044.3, 0.00302115/step, 0.551864 hours remaining, 206.847656 MB of memory in use. ENERGY: 4342400 728.2381 2062.3476 1948.8227 107.5622 -205770.7966 17716.6291 0.0000 0.0000 34210.4327 -148996.7642 298.7682 -183207.1969 -148901.2297 299.3647 97.9572 131.3986 556859.8490 6.2348 6.0582 PRESSURE: 4342600 103.758 -7.71132 46.3908 -7.7113 161.639 -36.0591 46.3914 -36.0586 -127.029 GPRESSURE: 4342600 197.18 114.825 11.4294 -31.6923 197.33 -31.9406 154.423 -42.7094 -160.381 PRESSAVG: 4342600 30.4972 -31.3447 39.0911 -31.3447 4.81049 45.4307 39.0912 45.4307 13.3753 GPRESSAVG: 4342600 30.5083 -30.3265 40.5902 -33.5083 3.49357 44.0021 35.2254 47.6384 14.09 TIMING: 4342600 CPU: 13044.9, 0.00299588/step Wall: 13044.9, 0.00299588/step, 0.547081 hours remaining, 206.847656 MB of memory in use. ENERGY: 4342600 733.4881 2058.6678 1944.8628 115.4162 -206237.3225 17945.9087 0.0000 0.0000 34305.9528 -149133.0262 299.6024 -183438.9790 -149029.1138 298.9945 46.1224 78.0431 556280.4636 16.2277 16.0306 PRESSURE: 4342800 -409.312 99.349 -60.0263 99.3491 -200.453 -57.7254 -60.027 -57.7257 -226.044 GPRESSURE: 4342800 -340.374 180.174 -3.72549 73.468 -160.551 10.6248 -60.8958 -173.241 -248.69 PRESSAVG: 4342800 -63.8653 -10.9866 -5.74797 -10.9867 36.7715 44.5412 -5.74797 44.5412 -6.21121 GPRESSAVG: 4342800 -63.8852 -11.9582 -7.9 -9.96762 36.7727 46.1264 -2.90142 41.4153 -6.64858 TIMING: 4342800 CPU: 13045.5, 0.0029956/step Wall: 13045.5, 0.0029956/step, 0.546863 hours remaining, 206.847656 MB of memory in use. ENERGY: 4342800 763.3598 2110.7374 1926.4824 106.6384 -205529.1454 17338.5826 0.0000 0.0000 34344.8449 -148938.5000 299.9421 -183283.3449 -148835.4676 299.8627 -278.6031 -249.8714 559610.4386 -11.1017 -11.2537 PRESSURE: 4343000 -480.299 114.527 56.6587 114.528 -256.054 24.9773 56.6585 24.9775 -584.345 GPRESSURE: 4343000 -476.75 124.989 88.4246 222.896 -253.062 42.9381 104.471 33.3258 -496.416 PRESSAVG: 4343000 6.0454 -26.4291 82.7509 -26.429 77.639 14.6217 82.751 14.6217 -91.8497 GPRESSAVG: 4343000 7.09581 -26.0066 83.9902 -27.3156 77.671 14.9838 83.4568 14.9053 -92.7334 TIMING: 4343000 CPU: 13046.1, 0.00302868/step Wall: 13046.1, 0.00302868/step, 0.552734 hours remaining, 206.847656 MB of memory in use. ENERGY: 4343000 758.3890 2148.4686 1933.4584 103.5833 -205560.2196 17438.7867 0.0000 0.0000 34336.7439 -148840.7897 299.8713 -183177.5336 -148742.6486 300.4203 -440.2327 -408.7428 560786.5335 -2.7218 -2.6555 PRESSURE: 4343200 -20.9662 -8.89805 -112.167 -8.89795 -266.86 2.41412 -112.167 2.41475 -103.54 GPRESSURE: 4343200 -10.8925 -1.12982 -86.3078 -64.346 -229.806 -37.1763 -111.262 70.5483 -58.7798 PRESSAVG: 4343200 -56.6891 -37.9501 -23.0109 -37.9501 72.5376 -22.8566 -23.0109 -22.8566 -15.8448 GPRESSAVG: 4343200 -57.4726 -38.21 -22.6404 -37.935 72.926 -23.0089 -23.9337 -21.3898 -15.2911 TIMING: 4343200 CPU: 13046.7, 0.00301884/step Wall: 13046.7, 0.00301884/step, 0.55077 hours remaining, 206.847656 MB of memory in use. ENERGY: 4343200 752.2205 2084.7485 1966.9312 130.1005 -205512.5837 17522.2376 0.0000 0.0000 34218.5060 -148837.8394 298.8387 -183056.3454 -148745.2563 301.0204 -130.4553 -99.8261 558022.4261 0.0012 0.0541 PRESSURE: 4343400 10.281 -61.0947 -115.776 -61.0957 -56.9959 58.2454 -115.777 58.2465 226.625 GPRESSURE: 4343400 16.2173 -81.9472 -92.3403 -60.1744 8.47918 26.8168 -134.777 44.3489 256.492 PRESSAVG: 4343400 -12.514 5.44502 -4.81557 5.4449 70.1236 -41.6427 -4.81556 -41.6426 -49.2519 GPRESSAVG: 4343400 -12.4437 6.31615 -3.59537 7.1812 70.6383 -41.0828 -6.64103 -42.9555 -49.5905 TIMING: 4343400 CPU: 13047.3, 0.00305611/step Wall: 13047.3, 0.00305611/step, 0.5574 hours remaining, 206.847656 MB of memory in use. ENERGY: 4343400 769.0142 2026.7738 1951.7682 108.0131 -205839.5125 17828.1551 0.0000 0.0000 34449.6718 -148706.1163 300.8576 -183155.7881 -148609.9826 300.7105 59.9701 93.7296 556403.3635 2.7859 2.8680 PRESSURE: 4343600 -0.572243 -9.51481 -106.085 -9.51424 70.947 -105.416 -106.085 -105.414 7.79055 GPRESSURE: 4343600 17.3882 -48.8889 -71.8001 -39.4589 111.166 -119.392 -80.3177 -132.851 39.4671 PRESSAVG: 4343600 -44.729 21.1699 12.3922 21.1699 9.62792 -61.9041 12.3922 -61.9042 11.5795 GPRESSAVG: 4343600 -45.7116 21.0172 11.9097 18.9488 9.42865 -63.2629 15.0102 -62.7519 12.5513 TIMING: 4343600 CPU: 13047.9, 0.00303746/step Wall: 13047.9, 0.00303746/step, 0.553831 hours remaining, 206.847656 MB of memory in use. ENERGY: 4343600 739.9089 2068.9275 1943.0870 134.8674 -205768.9560 17630.9621 0.0000 0.0000 34446.4993 -148804.7039 300.8298 -183251.2032 -148704.0452 300.5991 26.0551 56.0070 556112.2232 -7.8405 -7.9106 PRESSURE: 4343800 -47.1401 -18.6443 -77.1079 -18.6423 -361.674 96.7988 -77.1096 96.7991 167.443 GPRESSURE: 4343800 -36.6898 -60.8096 -49.5254 -46.3296 -293.704 120.648 -47.8309 162.32 185.869 PRESSAVG: 4343800 40.6968 48.2318 2.53668 48.2318 -37.5134 14.4982 2.53666 14.4983 -11.4779 GPRESSAVG: 4343800 40.9281 49.8829 1.67555 48.4479 -36.5509 14.9726 0.0452057 15.7357 -12.0146 TIMING: 4343800 CPU: 13048.5, 0.0030123/step Wall: 13048.5, 0.0030123/step, 0.549075 hours remaining, 206.847656 MB of memory in use. ENERGY: 4343800 750.7132 2043.0088 1943.8634 119.5104 -205644.2049 17537.1763 0.0000 0.0000 34285.7664 -148964.1664 299.4261 -183249.9328 -148860.7735 300.1857 -80.4571 -48.1749 558262.9926 -2.7648 -2.5458 PRESSURE: 4344000 -83.5906 -24.2001 -15.0025 -24.1996 -119.649 -54.071 -15.0019 -54.0737 -97.41 GPRESSURE: 4344000 -72.8496 10.4132 -32.829 -35.7469 -64.9029 -69.7144 73.8833 -105.495 -77.811 PRESSAVG: 4344000 31.3703 61.9503 33.3863 61.9503 -58.997 8.3404 33.3864 8.34031 42.4185 GPRESSAVG: 4344000 31.4893 61.7502 33.2633 61.1349 -59.9307 8.58165 35.2323 8.02516 43.134 TIMING: 4344000 CPU: 13049.1, 0.00307356/step Wall: 13049.1, 0.00307356/step, 0.560071 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: 4344000 746.5381 2130.3836 1933.3825 104.1836 -206040.9322 17679.3887 0.0000 0.0000 34325.9532 -149121.1025 299.7771 -183447.0557 -149022.8606 299.5926 -100.2164 -71.8545 557808.4902 4.9306 4.8976 PRESSURE: 4344200 -31.9916 -4.01356 -41.5922 -4.01454 -22.6607 -82.9019 -41.5922 -82.9 -104.341 GPRESSURE: 4344200 -61.5074 -14.9511 2.92972 59.3977 62.1291 -110.263 -36.1399 -36.0287 -54.2695 PRESSAVG: 4344200 -44.8785 38.2685 -8.10865 38.2685 5.30399 -28.7318 -8.10861 -28.7318 15.7428 GPRESSAVG: 4344200 -44.5487 37.9776 -5.90782 38.8113 5.34324 -27.4154 -10.7088 -29.0239 15.2676 TIMING: 4344200 CPU: 13049.7, 0.00306764/step Wall: 13049.7, 0.00306764/step, 0.558821 hours remaining, 206.847656 MB of memory in use. ENERGY: 4344200 792.6242 2097.2800 1928.7486 117.3087 -206019.9136 17673.0855 0.0000 0.0000 34325.6830 -149085.1838 299.7747 -183410.8668 -148991.2674 299.7608 -52.9979 -17.8826 557555.7999 -7.9439 -7.9793 LDB: ============= START OF LOAD BALANCING ============== 13053.2 LDB: ============== END OF LOAD BALANCING =============== 13053.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13053.2 LDB: ============= START OF LOAD BALANCING ============== 13053.5 LDB: Largest compute 4822 load 0.020284 is 17.2% of average load 0.118144 LDB: Average compute 0.001726 is 1.5% of average load 0.118144 LDB: TIME 13053.5 LOAD: AVG 0.118144 MAX 0.219694 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.621 MB LDB: TIME 13053.5 LOAD: AVG 0.118144 MAX 0.219694 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.621 MB LDB: TIME 13053.5 LOAD: AVG 0.118144 MAX 0.219694 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.621 MB LDB: ============== END OF LOAD BALANCING =============== 13053.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13053.5 PRESSURE: 4344400 59.6794 23.7892 -19.6931 23.7896 -37.6278 -113.765 -19.6932 -113.764 -184.873 GPRESSURE: 4344400 52.6218 1.22397 -76.1777 27.2764 72.4871 -190.624 -36.8691 -74.9449 -174.582 PRESSAVG: 4344400 0.263267 -1.07438 22.2693 -1.07433 -26.291 -33.1628 22.2691 -33.1629 58.4768 GPRESSAVG: 4344400 2.24256 -0.171065 20.1637 -2.10698 -26.4019 -34.4133 23.7112 -31.0664 57.0116 TIMING: 4344400 CPU: 13050.4, 0.00312312/step Wall: 13050.4, 0.00312312/step, 0.568755 hours remaining, 210.664062 MB of memory in use. ENERGY: 4344400 738.8865 2139.3848 1926.6767 108.7122 -205774.0781 17656.7269 0.0000 0.0000 34199.3961 -149004.2948 298.6718 -183203.6909 -148907.7747 300.2141 -54.2739 -16.4909 556803.0398 10.8164 10.9507 PRESSURE: 4344600 381.104 -143.822 -139.251 -143.823 193.298 -37.6377 -139.25 -37.6393 140.092 GPRESSURE: 4344600 368.994 -108.463 -137.94 -152.896 232.045 -42.1197 -93.5129 -32.0608 210.103 PRESSAVG: 4344600 5.79546 -41.3232 -14.4829 -41.3232 26.1977 -10.6121 -14.483 -10.612 -25.9282 GPRESSAVG: 4344600 4.9617 -40.9701 -14.9459 -41.9139 24.9143 -11.3079 -13.6271 -10.8165 -23.8815 TIMING: 4344600 CPU: 13051, 0.00306205/step Wall: 13051, 0.00306205/step, 0.557464 hours remaining, 210.867188 MB of memory in use. ENERGY: 4344600 747.6073 2141.6996 1934.8802 112.8180 -206020.2730 17942.9774 0.0000 0.0000 34229.2686 -148911.0218 298.9327 -183140.2904 -148818.8236 299.4148 238.1647 270.3810 557545.8522 2.0217 1.9981 PRESSURE: 4344800 -178.531 -121.354 -122.154 -121.354 216.271 34.038 -122.155 34.0379 125.559 GPRESSURE: 4344800 -96.382 -153.911 -75.0925 -25.8544 203.136 13.6848 -96.7345 -27.8859 156.114 PRESSAVG: 4344800 -23.675 -6.48236 27.8035 -6.48231 46.6747 24.9391 27.8035 24.939 -6.72882 GPRESSAVG: 4344800 -24.8081 -7.4666 28.6069 -5.80644 48.4326 27.2606 27.6271 24.2479 -7.19283 TIMING: 4344800 CPU: 13051.6, 0.00307504/step Wall: 13051.6, 0.00307504/step, 0.559657 hours remaining, 210.867188 MB of memory in use. ENERGY: 4344800 763.5643 2072.4647 1933.8547 111.4427 -206079.5808 17861.8999 0.0000 0.0000 34260.0981 -149076.2564 299.2020 -183336.3544 -148977.6186 299.5499 54.4329 87.6228 557570.0871 5.4236 5.4772 PRESSURE: 4345000 -115.397 -11.7792 -36.2305 -11.7803 34.111 -125.554 -36.2305 -125.555 15.102 GPRESSURE: 4345000 -61.0186 -18.5261 -45.4734 -74.5773 17.0191 -127.021 -56.2966 -93.2655 72.9917 PRESSAVG: 4345000 51.3042 -67.7537 0.570523 -67.7537 58.7021 -17.7193 0.570551 -17.7193 -54.4802 GPRESSAVG: 4345000 51.8063 -69.0656 1.35051 -66.9904 58.3192 -17.6714 -0.2185 -18.8012 -54.9251 TIMING: 4345000 CPU: 13052.2, 0.003064/step Wall: 13052.2, 0.003064/step, 0.557478 hours remaining, 210.867188 MB of memory in use. ENERGY: 4345000 764.5000 2123.4358 1932.2862 110.7385 -205900.1431 17679.3616 0.0000 0.0000 34456.3994 -148833.4216 300.9163 -183289.8210 -148733.8353 300.5270 -22.0612 9.6641 558744.5238 18.5087 18.4001 PRESSURE: 4345200 -60.2066 87.4086 177.636 87.4083 -34.7419 -255.982 177.635 -255.982 -89.8965 GPRESSURE: 4345200 -1.73655 19.5551 146.54 108.515 -54.353 -161.757 157.655 -233.311 -31.5954 PRESSAVG: 4345200 -3.49572 3.91121 -13.7183 3.91109 -55.2532 -26.1986 -13.7183 -26.1985 22.8512 GPRESSAVG: 4345200 -3.23134 3.61747 -11.6862 4.25576 -55.6027 -27.8466 -14.3295 -23.8291 23.8548 TIMING: 4345200 CPU: 13052.8, 0.00304352/step Wall: 13052.8, 0.00304352/step, 0.553583 hours remaining, 210.867188 MB of memory in use. ENERGY: 4345200 786.5318 2069.5838 1954.2811 113.9193 -205800.1714 17744.1051 0.0000 0.0000 34244.9794 -148886.7709 299.0699 -183131.7504 -148781.5306 300.0702 -61.6150 -29.2283 558883.1258 -11.9659 -11.6598 PRESSURE: 4345400 170.535 -65.8053 48.7725 -65.8046 -144.478 128.215 48.7717 128.214 -196 GPRESSURE: 4345400 232.946 -28.9121 4.44227 -100.364 -140.241 37.5799 98.0114 160.142 -159.669 PRESSAVG: 4345400 -15.6281 36.6002 5.27912 36.6002 17.7122 -4.72401 5.27923 -4.72395 0.912347 GPRESSAVG: 4345400 -15.6686 38.2776 2.35255 35.0044 17.8458 -3.01172 5.43971 -5.68576 0.327736 TIMING: 4345400 CPU: 13053.4, 0.00305004/step Wall: 13053.4, 0.00305004/step, 0.554599 hours remaining, 210.867188 MB of memory in use. ENERGY: 4345400 737.3137 2159.0438 1913.0993 109.1277 -205907.7977 17811.4872 0.0000 0.0000 34373.1487 -148804.5773 300.1893 -183177.7260 -148697.7363 300.2061 -56.6477 -22.3213 559442.7088 0.9988 0.8350 PRESSURE: 4345600 -189.949 64.6819 17.9076 64.6817 -299.641 -16.1922 17.9082 -16.192 -50.259 GPRESSURE: 4345600 -125.749 11.2295 45.5493 101.165 -267.144 -37.2836 -70.1136 -73.5473 -59.2717 PRESSAVG: 4345600 40.1738 -6.28998 -1.19149 -6.28991 -19.4066 3.68649 -1.1916 3.68648 -26.6656 GPRESSAVG: 4345600 38.9594 -8.26684 -2.5404 -6.38478 -18.2091 3.08788 -1.98664 1.75345 -26.586 TIMING: 4345600 CPU: 13054, 0.00303633/step Wall: 13054, 0.00303633/step, 0.551938 hours remaining, 210.867188 MB of memory in use. ENERGY: 4345600 733.6807 2097.9067 1931.7430 115.0507 -205835.7633 17769.1956 0.0000 0.0000 34235.5276 -148952.6591 298.9874 -183188.1866 -148853.8345 299.9217 -179.9495 -150.7216 560732.3338 -1.9661 -1.9452 PRESSURE: 4345800 -88.805 -88.6964 128.579 -88.6959 -120.21 -75.2911 128.58 -75.2915 224.177 GPRESSURE: 4345800 0.815107 -78.232 79.1656 -103.504 -84.5575 -21.4654 120.284 -88.3542 189.674 PRESSAVG: 4345800 89.3103 -3.23552 12.4747 -3.23551 -72.2449 -6.77606 12.4748 -6.77601 -16.2629 GPRESSAVG: 4345800 90.5108 -1.43681 14.4194 -3.14069 -73.6407 -6.73384 13.3947 -5.66688 -17.1948 TIMING: 4345800 CPU: 13054.6, 0.0030387/step Wall: 13054.6, 0.0030387/step, 0.5522 hours remaining, 210.867188 MB of memory in use. ENERGY: 4345800 715.5726 2093.5576 1918.0739 120.9919 -205741.1216 17760.5163 0.0000 0.0000 34314.5686 -148817.8407 299.6777 -183132.4093 -148714.5410 299.6609 5.0540 35.3105 559796.4892 0.2675 -0.1083 PRESSURE: 4346000 41.3455 -63.7134 -170.86 -63.7128 -186.427 64.4108 -170.859 64.412 -54.2953 GPRESSURE: 4346000 2.01751 -15.7613 -94.0637 -24.5752 -107.393 -8.64158 -232.671 93.549 12.3407 PRESSAVG: 4346000 23.9512 10.8745 32.7551 10.8744 -77.0233 -23.4531 32.7552 -23.4531 -11.1589 GPRESSAVG: 4346000 23.0759 10.7213 34.214 11.7724 -76.8593 -27.2417 33.0716 -21.3757 -10.4088 TIMING: 4346000 CPU: 13055.2, 0.00300425/step Wall: 13055.2, 0.00300425/step, 0.545772 hours remaining, 210.867188 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: 4346000 767.1214 2106.3310 1964.3464 107.4716 -205730.1892 17767.9028 0.0000 0.0000 34115.4450 -148901.5710 297.9387 -183017.0160 -148805.5099 299.7405 -66.4589 -31.0118 560286.8707 -21.4103 -21.3974 PRESSURE: 4346200 47.5024 101.985 -189.894 101.987 -4.29673 124.02 -189.895 124.02 32.526 GPRESSURE: 4346200 52.7775 18.8521 -84.8352 144.997 28.9774 163.246 -236.557 113.305 81.4934 PRESSAVG: 4346200 -2.76056 28.0862 -72.8735 28.0863 -16.7356 50.1385 -72.8734 50.1385 45.1741 GPRESSAVG: 4346200 -1.7744 25.2197 -73.3452 29.5226 -16.4067 50.7998 -74.5083 48.0283 44.4948 TIMING: 4346200 CPU: 13055.8, 0.00300627/step Wall: 13055.8, 0.00300627/step, 0.545972 hours remaining, 210.867188 MB of memory in use. ENERGY: 4346200 762.7665 2132.6400 1954.8533 118.4790 -205949.8773 17861.1328 0.0000 0.0000 34220.9189 -148899.0868 298.8598 -183120.0057 -148802.1556 300.2856 25.2439 54.4161 559456.6838 8.5593 8.7712 PRESSURE: 4346400 132.222 77.4946 -108.773 77.4951 -347.119 140.778 -108.773 140.779 152.475 GPRESSURE: 4346400 151.396 93.3402 -106.767 122.843 -303.532 144.04 -91.0523 149.059 187.972 PRESSAVG: 4346400 13.2969 14.7309 38.753 14.7309 12.9771 -21.5024 38.7529 -21.5025 -50.9713 GPRESSAVG: 4346400 12.4905 16.946 37.012 12.673 12.8153 -19.533 40.5111 -22.1306 -50.8355 TIMING: 4346400 CPU: 13056.5, 0.00302562/step Wall: 13056.5, 0.00302562/step, 0.549318 hours remaining, 210.867188 MB of memory in use. ENERGY: 4346400 702.9516 2139.3141 1944.4560 107.6394 -206110.9859 17745.6770 0.0000 0.0000 34538.9956 -148931.9522 301.6376 -183470.9477 -148824.8776 300.1763 -20.8073 11.9452 558014.7843 -8.2324 -8.5099 PRESSURE: 4346600 222.744 -8.78812 79.9099 -8.78761 -237.683 77.2631 79.91 77.2641 -117.071 GPRESSURE: 4346600 283.035 -6.33995 55.2756 -36.2476 -279.514 74.846 72.3621 46.9102 -39.0251 PRESSAVG: 4346600 10.2291 22.6908 54.6712 22.6908 -33.7545 42.3282 54.6711 42.3281 5.91493 GPRESSAVG: 4346600 9.80726 23.0395 56.9229 22.2268 -34.4418 42.9574 52.5365 41.4506 7.04438 TIMING: 4346600 CPU: 13057.1, 0.00302127/step Wall: 13057.1, 0.00302127/step, 0.54836 hours remaining, 210.867188 MB of memory in use. ENERGY: 4346600 730.8247 2085.9261 1933.9933 104.4627 -206155.7269 17769.1106 0.0000 0.0000 34304.8831 -149226.5264 299.5931 -183531.4095 -149118.9931 299.9176 -44.0035 -11.8346 559359.2482 -5.8702 -5.8634 PRESSURE: 4346800 -244.602 16.8435 -47.7363 16.8448 -84.8669 -29.2093 -47.736 -29.2085 22.4022 GPRESSURE: 4346800 -204.809 -25.1752 -84.42 52.2943 -20.3901 -34.5718 -33.7519 -68.5224 18.7507 PRESSAVG: 4346800 3.29351 6.90745 24.5952 6.90741 1.85543 5.46197 24.5952 5.46191 -24.4938 GPRESSAVG: 4346800 4.51287 7.01706 23.2723 8.06802 2.84774 4.5069 26.6302 6.49397 -26.3707 TIMING: 4346800 CPU: 13057.7, 0.00301382/step Wall: 13057.7, 0.00301382/step, 0.546841 hours remaining, 210.867188 MB of memory in use. ENERGY: 4346800 732.7733 2054.8007 1951.0104 125.5657 -206152.6270 17653.7658 0.0000 0.0000 34400.3532 -149234.3579 300.4268 -183634.7111 -149134.7821 299.1772 -102.3555 -68.8160 557924.7291 -6.4483 -6.3367 PRESSURE: 4347000 2.82813 -78.7387 -94.3456 -78.7398 200.475 40.18 -94.3461 40.18 -178.448 GPRESSURE: 4347000 66.6205 -99.077 -28.0118 -95.498 214.582 79.6008 -116.115 69.4482 -158.861 PRESSAVG: 4347000 -17.5709 -0.462036 28.2059 -0.462034 11.3147 36.5018 28.2057 36.5019 9.39508 GPRESSAVG: 4347000 -17.7514 -1.57495 27.2099 -0.658329 11.0001 36.5315 29.13 38.3383 10.1615 TIMING: 4347000 CPU: 13058.3, 0.00299788/step Wall: 13058.3, 0.00299788/step, 0.543782 hours remaining, 210.867188 MB of memory in use. ENERGY: 4347000 760.1918 2014.2960 1932.0000 118.7969 -206310.0957 17815.7476 0.0000 0.0000 34588.9947 -149080.0687 302.0743 -183669.0634 -148980.5378 300.0381 8.2850 40.7806 558115.7395 1.0463 1.1367 PRESSURE: 4347200 -192.945 -44.6222 46.2916 -44.6214 -110.242 92.8395 46.2916 92.8396 -95.2572 GPRESSURE: 4347200 -178 -19.191 20.9255 -68.8512 -80.7248 31.2921 23.3795 140.498 -43.2143 PRESSAVG: 4347200 6.65477 -6.30858 -23.4661 -6.30868 32.2687 3.28973 -23.466 3.28982 -29.6907 GPRESSAVG: 4347200 5.22171 -6.65943 -23.3771 -5.65194 32.8726 3.77756 -25.9919 2.94111 -28.6578 TIMING: 4347200 CPU: 13058.9, 0.00299496/step Wall: 13058.9, 0.00299496/step, 0.543086 hours remaining, 210.937500 MB of memory in use. ENERGY: 4347200 741.5572 2035.1407 1913.8826 107.9206 -205718.7361 17553.5554 0.0000 0.0000 34183.7003 -149182.9793 298.5348 -183366.6796 -149083.4498 300.0881 -132.8149 -100.6463 558848.6980 3.0776 3.1455 PRESSURE: 4347400 -141.74 23.7199 -101.2 23.72 51.1241 21.8278 -101.201 21.8273 -51.8947 GPRESSURE: 4347400 -174.963 88.2621 -82.5294 3.9671 167.284 -7.62017 -114.086 -40.4976 -30.5225 PRESSAVG: 4347400 -37.144 7.46801 10.9036 7.46797 7.67406 -31.2221 10.9035 -31.222 -7.34531 GPRESSAVG: 4347400 -35.4653 7.82995 12.1432 6.59525 7.41726 -32.2266 13.3639 -30.5733 -8.71994 TIMING: 4347400 CPU: 13059.5, 0.00301295/step Wall: 13059.5, 0.00301295/step, 0.54618 hours remaining, 210.937500 MB of memory in use. ENERGY: 4347400 741.3776 2061.4028 1945.3316 107.3806 -205767.3850 17529.6254 0.0000 0.0000 34312.2280 -149070.0389 299.6572 -183382.2669 -148970.4992 299.4422 -47.5036 -12.7338 557550.8064 -12.2717 -12.2560 PRESSURE: 4347600 -21.5808 70.0216 -183.842 70.0212 -49.1809 98.74 -183.84 98.7379 127.526 GPRESSURE: 4347600 28.2554 143.65 -241.681 40.4004 -21.519 54.4085 -201.979 103.917 144.965 PRESSAVG: 4347600 -34.0177 26.2956 -18.238 26.2955 64.8769 2.80545 -18.238 2.8055 -12.8908 GPRESSAVG: 4347600 -34.9053 27.0153 -18.078 28.0382 64.6273 1.14181 -18.3776 3.39174 -11.7749 TIMING: 4347600 CPU: 13060.1, 0.00302942/step Wall: 13060.1, 0.00302942/step, 0.548998 hours remaining, 210.937500 MB of memory in use. ENERGY: 4347600 748.0056 2096.5501 1951.3416 102.5955 -206508.0171 18073.9404 0.0000 0.0000 34413.3551 -149122.2286 300.5404 -183535.5837 -149030.5915 300.0329 18.9215 50.5673 558118.9687 5.9895 5.9824 PRESSURE: 4347800 -104.067 -34.6183 -1.89201 -34.6198 30.6576 51.1428 -1.89186 51.1437 -31.6079 GPRESSURE: 4347800 -50.346 -69.1894 13.0104 100.804 95.153 33.2179 -35.9899 86.1698 -54.7626 PRESSAVG: 4347800 14.6882 18.8474 2.11739 18.8473 2.49449 46.3608 2.11742 46.3608 7.86571 GPRESSAVG: 4347800 14.8529 16.9319 1.27022 18.7952 2.07348 47.6349 0.414869 46.3599 8.06838 TIMING: 4347800 CPU: 13060.7, 0.00304206/step Wall: 13060.7, 0.00304206/step, 0.55112 hours remaining, 210.937500 MB of memory in use. ENERGY: 4347800 746.5744 2049.5993 1956.1468 120.9628 -205907.2254 17746.2620 0.0000 0.0000 34159.8395 -149127.8407 298.3264 -183287.6801 -149031.3938 299.6653 -35.0059 -3.3185 556691.2927 8.3495 8.3316 PRESSURE: 4348000 41.6451 193.543 -21.4934 193.544 17.2981 49.8943 -21.4939 49.8927 28.2653 GPRESSURE: 4348000 161.032 124.262 -27.3899 132 -0.106996 75.5406 -9.55367 29.0798 25.7555 PRESSAVG: 4348000 20.3132 45.8392 -21.8278 45.8392 16.9855 45.8238 -21.8278 45.8236 -11.3326 GPRESSAVG: 4348000 20.8168 46.7436 -22.1648 44.9143 17.1822 47.2857 -21.5991 44.6699 -12.549 TIMING: 4348000 CPU: 13061.3, 0.00302012/step Wall: 13061.3, 0.00302012/step, 0.546977 hours remaining, 210.937500 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: 4348000 759.2509 2069.1917 1952.3297 115.4421 -206505.9529 17934.8111 0.0000 0.0000 34432.3970 -149242.5303 300.7067 -183674.9273 -149143.5720 299.7310 29.0695 62.2268 555762.9395 8.6554 8.4833 PRESSURE: 4348200 224.267 -135.577 -169.486 -135.577 320.873 -84.1783 -169.487 -84.1785 28.6744 GPRESSURE: 4348200 293.683 -126.335 -198.459 -95.5944 316.894 -33.6497 -102.383 -81.7718 47.1457 PRESSAVG: 4348200 -29.1827 -61.8854 -2.36111 -61.8854 12.8454 -30.0098 -2.36096 -30.0098 9.14669 GPRESSAVG: 4348200 -30.5138 -61.0509 -1.37214 -62.816 12.9528 -31.4167 -2.5506 -29.8802 10.3195 TIMING: 4348200 CPU: 13061.9, 0.00304921/step Wall: 13061.9, 0.00304921/step, 0.552076 hours remaining, 210.937500 MB of memory in use. ENERGY: 4348200 744.7631 2053.4345 1948.5943 122.9688 -206022.6797 17929.2913 0.0000 0.0000 34094.1493 -149129.4784 297.7527 -183223.6277 -149030.8398 299.2016 191.2713 219.2410 556217.2415 -2.3969 -2.4138 LDB: ============= START OF LOAD BALANCING ============== 13065.3 LDB: ============== END OF LOAD BALANCING =============== 13065.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13065.3 LDB: ============= START OF LOAD BALANCING ============== 13065.6 LDB: Largest compute 4820 load 0.020148 is 17.1% of average load 0.118149 LDB: Average compute 0.001729 is 1.5% of average load 0.118149 LDB: TIME 13065.6 LOAD: AVG 0.118149 MAX 0.21851 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.777 MB LDB: TIME 13065.6 LOAD: AVG 0.118149 MAX 0.21851 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.781 MB LDB: TIME 13065.6 LOAD: AVG 0.118149 MAX 0.21851 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.781 MB LDB: ============== END OF LOAD BALANCING =============== 13065.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13065.6 PRESSURE: 4348400 -227.56 -63.2926 154.164 -63.2936 -149.242 87.5248 154.162 87.5253 -262.647 GPRESSURE: 4348400 -204.117 -13.2548 138.801 -110.28 -138.859 56.4729 174.824 59.9182 -198.859 PRESSAVG: 4348400 38.5851 12.5169 4.22417 12.5168 -28.8079 8.94865 4.22409 8.94861 -23.2458 GPRESSAVG: 4348400 39.0304 12.48 4.20874 14.9484 -30.091 9.84342 5.48168 9.07758 -22.4195 TIMING: 4348400 CPU: 13062.5, 0.00310025/step Wall: 13062.5, 0.00310025/step, 0.561146 hours remaining, 207.074219 MB of memory in use. ENERGY: 4348400 779.9329 2084.2893 1932.9111 108.0313 -205767.4253 17518.2471 0.0000 0.0000 34347.6808 -148996.3328 299.9668 -183344.0136 -148902.9338 299.5905 -213.1495 -180.6118 557622.8708 -4.4896 -4.4934 PRESSURE: 4348600 -109.505 31.7518 -21.4139 31.7528 -396.638 -2.40913 -21.4145 -2.4107 141.815 GPRESSURE: 4348600 -69.4841 -17.2475 -22.6409 67.8791 -299.625 63.2273 7.2476 -24.5183 103.019 PRESSAVG: 4348600 42.4422 -41.9272 23.8367 -41.9273 -0.255765 4.46866 23.8367 4.46873 7.53172 GPRESSAVG: 4348600 41.617 -43.944 23.5499 -43.4903 1.02074 5.6309 26.0291 4.24802 7.00052 TIMING: 4348600 CPU: 13063.1, 0.00303109/step Wall: 13063.1, 0.00303109/step, 0.54846 hours remaining, 207.074219 MB of memory in use. ENERGY: 4348600 755.0276 2114.3994 1943.1391 102.2536 -206270.3258 17733.1119 0.0000 0.0000 34619.7055 -149002.6887 302.3425 -183622.3942 -148903.1966 300.3743 -121.4428 -88.6966 556730.2936 16.5727 16.5461 PRESSURE: 4348800 -16.975 -12.9801 189.319 -12.9805 219.348 -65.956 189.318 -65.9545 -7.01151 GPRESSURE: 4348800 -3.5472 -16.4751 233.239 -27.3251 210.248 35.2553 252.469 -49.6267 76.3494 PRESSAVG: 4348800 -6.71841 -10.0579 35.1799 -10.0579 32.6544 -1.48558 35.1799 -1.48555 -20.1379 GPRESSAVG: 4348800 -6.03718 -11.4645 35.4414 -6.86415 31.3955 -0.547763 34.101 -1.27314 -20.1185 TIMING: 4348800 CPU: 13063.7, 0.0030245/step Wall: 13063.7, 0.0030245/step, 0.547098 hours remaining, 207.074219 MB of memory in use. ENERGY: 4348800 709.3884 2081.1695 1944.1010 116.2515 -206059.3870 17733.0407 0.0000 0.0000 34572.2547 -148903.1812 301.9281 -183475.4359 -148808.0479 299.6403 65.1204 94.3502 555627.7493 1.9327 1.7466 PRESSURE: 4349000 158.515 60.0568 46.7827 60.0582 123.606 59.4509 46.7824 59.4511 -222.387 GPRESSURE: 4349000 230.435 50.04 28.7635 -3.42087 168.508 170.522 68.6696 -11.9183 -238.941 PRESSAVG: 4349000 38.9212 31.0564 8.10429 31.0563 8.05876 24.8034 8.10433 24.8035 -31.4859 GPRESSAVG: 4349000 38.031 33.2438 6.44759 27.853 8.43 23.3142 6.4773 25.8454 -31.0775 TIMING: 4349000 CPU: 13064.3, 0.00302717/step Wall: 13064.3, 0.00302717/step, 0.547413 hours remaining, 207.074219 MB of memory in use. ENERGY: 4349000 742.0522 2115.2347 1932.1062 111.7102 -206166.1750 17776.2004 0.0000 0.0000 34590.1656 -148898.7058 302.0845 -183488.8714 -148798.3600 300.9542 19.9112 53.3340 557014.8738 5.1647 5.1278 PRESSURE: 4349200 -274.47 37.3195 -77.1738 37.3195 -302.889 208.167 -77.1737 208.166 -154.33 GPRESSURE: 4349200 -217.101 1.41438 -107.023 55.8845 -283.36 141.885 -114.441 96.5264 -123.895 PRESSAVG: 4349200 51.9008 37.4575 51.1996 37.4575 31.9145 28.8749 51.1996 28.8749 -84.6226 GPRESSAVG: 4349200 51.7375 36.6766 51.2003 39.9854 31.5452 27.2199 50.9778 28.0232 -84.3604 TIMING: 4349200 CPU: 13064.9, 0.00303943/step Wall: 13064.9, 0.00303943/step, 0.549461 hours remaining, 207.074219 MB of memory in use. ENERGY: 4349200 787.2256 2078.5826 1965.3914 106.3359 -205786.6804 17609.1817 0.0000 0.0000 34363.2992 -148876.6641 300.1032 -183239.9633 -148774.8248 301.1863 -243.8961 -208.1187 557901.0298 -0.2691 -0.3592 PRESSURE: 4349400 -223.364 -223.206 -88.1778 -223.207 -98.67 -250.239 -88.1769 -250.238 46.461 GPRESSURE: 4349400 -169.775 -257.878 -131.494 -147.547 -101.53 -253.268 -52.4976 -246.124 88.5891 PRESSAVG: 4349400 -22.3151 27.7701 5.95062 27.77 73.3142 17.0562 5.95058 17.0562 -44.4776 GPRESSAVG: 4349400 -22.1781 28.8066 6.49246 25.5196 73.6442 20.1558 7.06652 16.9541 -45.0225 TIMING: 4349400 CPU: 13065.5, 0.00303104/step Wall: 13065.5, 0.00303104/step, 0.547776 hours remaining, 207.074219 MB of memory in use. ENERGY: 4349400 770.4143 2098.9534 1945.9556 103.8149 -205957.4761 17614.2347 0.0000 0.0000 34335.8760 -149088.2272 299.8637 -183424.1032 -148991.3773 300.4856 -91.8578 -60.9054 557148.7248 2.1738 2.1478 PRESSURE: 4349600 -112.046 -25.8318 -12.0826 -25.8303 -60.6904 129.282 -12.0818 129.282 -88.4929 GPRESSURE: 4349600 -111.001 80.6652 40.4115 -11.2806 -59.6689 93.171 -57.7689 210.285 10.5022 PRESSAVG: 4349600 -10.2463 -39.5632 -0.65441 -39.5632 -37.7723 25.972 -0.654312 25.9721 17.9067 GPRESSAVG: 4349600 -9.68032 -39.1691 0.371943 -39.5365 -37.7138 23.3933 -0.0362458 27.3921 16.9702 TIMING: 4349600 CPU: 13066.1, 0.00301672/step Wall: 13066.1, 0.00301672/step, 0.545021 hours remaining, 207.074219 MB of memory in use. ENERGY: 4349600 766.0791 2090.4019 1942.9240 110.4851 -206078.7337 17583.3882 0.0000 0.0000 34300.2283 -149285.2271 299.5524 -183585.4554 -149187.2670 299.0780 -87.0766 -53.3893 555868.1917 -10.0373 -10.1413 PRESSURE: 4349800 -117.328 2.24429 35.7888 2.24383 13.4762 11.5733 35.7885 11.5726 -1.66955 GPRESSURE: 4349800 -90.7964 42.1908 31.5553 21.1379 38.8877 34.5931 35.633 60.9604 43.2081 PRESSAVG: 4349800 38.1673 17.4564 44.9967 17.4564 -41.9407 -18.1096 44.9967 -18.1096 -47.2051 GPRESSAVG: 4349800 38.1823 15.3226 44.4229 18.1468 -42.0585 -15.9118 43.9216 -19.5524 -46.8487 TIMING: 4349800 CPU: 13066.7, 0.00301394/step Wall: 13066.7, 0.00301394/step, 0.544351 hours remaining, 207.074219 MB of memory in use. ENERGY: 4349800 740.1889 2103.2720 1942.9667 111.3361 -206201.5126 17775.2648 0.0000 0.0000 34179.7590 -149348.7250 298.5003 -183528.4839 -149258.1397 298.8050 -35.1739 -2.9002 557312.9038 -16.9928 -16.9083 PRESSURE: 4350000 -75.5182 -15.8519 -2.56417 -15.8515 -188.241 181.608 -2.56345 181.608 -167.442 GPRESSURE: 4350000 -19.7515 37.8863 79.0936 -185.686 -165.663 120.344 -12.7865 156.708 -154.612 PRESSAVG: 4350000 16.7607 -1.00508 -26.7898 -1.00503 -6.93494 33.3334 -26.7897 33.3334 8.27653 GPRESSAVG: 4350000 16.5191 1.62439 -26.122 -2.82171 -7.52461 30.661 -25.7797 33.2555 8.94983 TIMING: 4350000 CPU: 13067.3, 0.00301566/step Wall: 13067.3, 0.00301566/step, 0.544493 hours remaining, 207.074219 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: 4350000 816.0046 2121.7333 1954.3856 103.6418 -206484.0342 17776.4081 0.0000 0.0000 34388.2098 -149323.6513 300.3208 -183711.8610 -149216.7709 299.8705 -143.7338 -113.3419 558516.8172 6.0341 5.9814 PRESSURE: 4350200 306.098 -24.0931 97.1671 -24.0918 230.697 -197.323 97.1668 -197.323 515.806 GPRESSURE: 4350200 266.979 24.5316 71.8976 31.2094 301.021 -189.45 10.4896 -187.386 579.565 PRESSAVG: 4350200 38.9697 19.4117 20.0141 19.4116 -7.24971 -41.0833 20.0142 -41.0833 -13.138 GPRESSAVG: 4350200 39.7815 18.31 19.1869 22.0314 -6.43339 -40.0605 18.967 -40.1529 -14.8492 TIMING: 4350200 CPU: 13068, 0.00305444/step Wall: 13068, 0.00305444/step, 0.551327 hours remaining, 207.074219 MB of memory in use. ENERGY: 4350200 731.3135 2088.5794 1966.8037 116.4085 -207019.4137 18303.6458 0.0000 0.0000 34441.3894 -149371.2735 300.7852 -183812.6629 -149266.1427 299.6559 350.8669 382.5216 555891.6853 6.1940 6.1663 PRESSURE: 4350400 -142.786 -32.9637 123.193 -32.964 -116.686 121.872 123.194 121.872 45.6926 GPRESSURE: 4350400 -108.154 18.8435 131.572 -59.0486 -45.3834 183.134 216.949 107.436 29.0554 PRESSAVG: 4350400 26.1244 -50.7808 -16.0456 -50.7808 -39.0736 26.5481 -16.0456 26.5481 24.5197 GPRESSAVG: 4350400 25.4331 -50.1294 -14.6232 -50.7082 -38.7263 28.0529 -16.216 26.6967 25.8186 TIMING: 4350400 CPU: 13068.6, 0.0030325/step Wall: 13068.6, 0.0030325/step, 0.547197 hours remaining, 207.074219 MB of memory in use. ENERGY: 4350400 733.2079 2102.8931 1962.4571 122.4534 -206125.7748 17742.7363 0.0000 0.0000 34122.9491 -149339.0779 298.0042 -183462.0270 -149247.3279 299.1554 -71.2597 -41.4939 557242.3370 3.8568 4.1751 PRESSURE: 4350600 -104.5 39.3847 95.2543 39.3831 121.193 -19.9118 95.2546 -19.9109 66.3783 GPRESSURE: 4350600 -78.2872 21.7704 75.517 124.368 153.329 36.2807 65.9335 -12.4892 108.534 PRESSAVG: 4350600 -47.4614 -11.4654 -23.9218 -11.4654 8.54456 30.6916 -23.9218 30.6916 33.6877 GPRESSAVG: 4350600 -47.1003 -11.8396 -25.0421 -11.5874 8.57378 29.6615 -23.3919 32.028 33.7728 TIMING: 4350600 CPU: 13069.2, 0.00303646/step Wall: 13069.2, 0.00303646/step, 0.547744 hours remaining, 207.074219 MB of memory in use. ENERGY: 4350600 746.8301 2078.3283 1961.8828 108.0898 -206388.3514 17832.2565 0.0000 0.0000 34359.4065 -149301.5573 300.0692 -183660.9638 -149206.5510 299.3075 27.6904 61.1920 556876.0173 -1.7430 -1.5846 PRESSURE: 4350800 29.3035 9.74937 -163.004 9.7498 104.886 -152.699 -163.003 -152.699 -218.469 GPRESSURE: 4350800 87.7956 -56.0821 -96.7377 -20.3163 139.767 -166.699 -190.242 -224.211 -207.387 PRESSAVG: 4350800 16.3144 -22.6647 -52.7448 -22.6648 38.9874 2.46588 -52.7448 2.46585 -16.8903 GPRESSAVG: 4350800 17.3547 -22.5254 -52.1965 -24.0602 39.4881 2.01814 -53.0373 0.656093 -18.6521 TIMING: 4350800 CPU: 13069.8, 0.00303358/step Wall: 13069.8, 0.00303358/step, 0.547056 hours remaining, 207.074219 MB of memory in use. ENERGY: 4350800 769.4542 2091.2084 1973.1952 117.9185 -206159.3949 17738.4294 0.0000 0.0000 34447.3615 -149021.8278 300.8374 -183469.1893 -148924.9051 299.6565 -28.0932 6.7251 557137.4735 12.8039 12.7302 PRESSURE: 4351000 -114.122 -28.3272 -30.7947 -28.3258 -48.6216 -84.2599 -30.7951 -84.2598 -171.589 GPRESSURE: 4351000 5.61936 47.0429 -88.6818 -6.15556 -79.4197 -80.9503 92.0273 -84.9675 -173.055 PRESSAVG: 4351000 25.1358 -6.76865 -27.6737 -6.76863 15.3438 -21.0229 -27.6737 -21.0229 -39.1468 GPRESSAVG: 4351000 24.4101 -5.34454 -27.8929 -7.1247 15.2585 -20.5651 -26.8751 -18.7742 -38.3507 TIMING: 4351000 CPU: 13070.4, 0.0030464/step Wall: 13070.4, 0.0030464/step, 0.549198 hours remaining, 207.074219 MB of memory in use. ENERGY: 4351000 779.9250 2108.7484 1949.9500 116.7036 -205996.2018 17563.9343 0.0000 0.0000 34445.7795 -149031.1609 300.8236 -183476.9404 -148933.9195 299.7652 -111.4442 -82.2852 556759.1989 0.4443 0.4393 PRESSURE: 4351200 38.3535 14.8 -74.6939 14.8004 213.249 102.827 -74.6934 102.83 93.1238 GPRESSURE: 4351200 109.47 77.2118 4.47444 -56.6488 236.791 93.5694 -185.23 96.2958 95.8344 PRESSAVG: 4351200 -13.2418 82.0318 19.7502 82.0318 73.5833 56.3711 19.7502 56.3712 -32.7279 GPRESSAVG: 4351200 -14.7583 81.9755 19.1491 82.744 74.1704 56.1093 19.6114 55.1033 -32.0276 TIMING: 4351200 CPU: 13071, 0.0030277/step Wall: 13071, 0.0030277/step, 0.545659 hours remaining, 207.074219 MB of memory in use. ENERGY: 4351200 754.7614 2058.2050 1958.9641 104.7404 -206175.3023 17933.0838 0.0000 0.0000 34293.9518 -149071.5957 299.4976 -183365.5475 -148974.3582 300.1022 114.9088 147.3652 558710.7272 9.2045 9.1282 PRESSURE: 4351400 -45.848 -101.374 102.002 -101.373 306.381 121.291 102.002 121.292 14.1113 GPRESSURE: 4351400 27.4571 -63.6654 99.3404 -171.611 347.213 118.155 95.819 114.702 6.4618 PRESSAVG: 4351400 7.16059 11.16 9.77676 11.16 -5.55642 20.258 9.77667 20.258 11.852 GPRESSAVG: 4351400 8.45897 9.65682 11.89 11.7215 -6.86926 21.5635 8.56245 19.8465 12.5211 TIMING: 4351400 CPU: 13071.6, 0.00301813/step Wall: 13071.6, 0.00301813/step, 0.543766 hours remaining, 207.074219 MB of memory in use. ENERGY: 4351400 693.0841 2119.8990 1960.6471 110.4412 -206144.5552 17836.7341 0.0000 0.0000 34229.6233 -149194.1264 298.9358 -183423.7497 -149098.2168 299.2128 91.5480 127.0439 558009.7225 4.4854 4.7036 PRESSURE: 4351600 105.623 97.1694 -239.561 97.1696 -141.024 -27.3093 -239.561 -27.3095 -80.7311 GPRESSURE: 4351600 44.1287 83.6557 -261.964 154.457 -80.5795 11.1496 -265.843 -44.7753 24.5501 PRESSAVG: 4351600 -31.4198 -42.7109 68.4211 -42.7109 38.4375 33.962 68.4212 33.962 -0.450389 GPRESSAVG: 4351600 -31.5813 -41.1495 67.1318 -43.5019 38.0262 33.0567 68.898 34.9139 -0.410885 TIMING: 4351600 CPU: 13072.2, 0.00302494/step Wall: 13072.2, 0.00302494/step, 0.544826 hours remaining, 207.074219 MB of memory in use. ENERGY: 4351600 724.5883 2102.7638 1963.8765 99.8406 -206042.2762 17748.5817 0.0000 0.0000 34125.2276 -149277.3977 298.0241 -183402.6253 -149179.7379 299.2480 -38.7107 -3.9669 557521.9249 2.1891 2.0113 PRESSURE: 4351800 225.7 2.73711 18.3752 2.73697 -252.756 16.8102 18.3757 16.8106 -228.425 GPRESSURE: 4351800 224.154 216.104 7.35227 -73.8972 -156.92 32.1682 66.5954 3.03446 -217.207 PRESSAVG: 4351800 22.2121 27.1569 21.7553 27.1569 19.5554 -9.54356 21.7552 -9.54344 -10.8411 GPRESSAVG: 4351800 22.3332 26.6672 21.913 28.2914 19.0794 -10.2357 22.2306 -10.9306 -10.6609 TIMING: 4351800 CPU: 13072.8, 0.00304269/step Wall: 13072.8, 0.00304269/step, 0.547852 hours remaining, 207.074219 MB of memory in use. ENERGY: 4351800 761.5427 2087.9018 1928.3485 111.8136 -206368.7168 17886.3420 0.0000 0.0000 34262.7446 -149330.0237 299.2251 -183592.7683 -149233.9052 298.4555 -85.1603 -49.9912 558203.3761 10.3088 10.2505 PRESSURE: 4352000 42.9078 50.7832 68.993 50.7822 -189.649 208.975 68.9927 208.976 22.1892 GPRESSURE: 4352000 79.9358 53.5916 116.264 47.5097 -181.704 228.138 125.482 230.752 59.0754 PRESSAVG: 4352000 -39.6844 61.9599 62.2845 61.9599 19.2224 -8.54895 62.2846 -8.54892 25.104 GPRESSAVG: 4352000 -41.1958 62.9464 63.1369 61.4129 21.3583 -7.29538 61.891 -8.63054 24.7449 TIMING: 4352000 CPU: 13073.4, 0.00303368/step Wall: 13073.4, 0.00303368/step, 0.546063 hours remaining, 207.074219 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: 4352000 744.9116 2116.3358 1927.6444 106.2821 -205930.3453 17500.9857 0.0000 0.0000 34276.0312 -149258.1544 299.3411 -183534.1857 -149169.3161 299.4128 -41.5172 -14.2311 558140.7627 1.5473 1.6358 PRESSURE: 4352200 -111.579 -67.5766 -69.1346 -67.5778 -85.7942 14.6346 -69.135 14.6355 -48.5893 GPRESSURE: 4352200 -64.0976 -29.1057 -80.1023 -97.3144 -74.6605 31.5507 -159.136 16.8987 0.690528 PRESSAVG: 4352200 -12.7345 -30.8928 -12.0746 -30.8928 7.05275 37.0666 -12.0746 37.0666 -7.39543 GPRESSAVG: 4352200 -12.3302 -32.4858 -11.9583 -29.7807 6.15919 35.2972 -14.1936 38.7331 -6.86526 TIMING: 4352200 CPU: 13074, 0.00303576/step Wall: 13074, 0.00303576/step, 0.546269 hours remaining, 207.074219 MB of memory in use. ENERGY: 4352200 706.8368 2079.1169 1943.3468 128.6461 -206225.0169 17760.8481 0.0000 0.0000 34360.2893 -149245.9330 300.0770 -183606.2223 -149150.5249 299.3500 -81.9875 -46.0225 558527.9455 -4.3591 -4.3454 LDB: ============= START OF LOAD BALANCING ============== 13077.5 LDB: ============== END OF LOAD BALANCING =============== 13077.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13077.5 LDB: ============= START OF LOAD BALANCING ============== 13077.8 LDB: Largest compute 4820 load 0.020088 is 17.0% of average load 0.118173 LDB: Average compute 0.001732 is 1.5% of average load 0.118173 LDB: TIME 13077.8 LOAD: AVG 0.118173 MAX 0.219809 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.586 MB LDB: TIME 13077.8 LOAD: AVG 0.118173 MAX 0.219809 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.789 MB LDB: TIME 13077.8 LOAD: AVG 0.118173 MAX 0.219809 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.789 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13077.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13077.8 PRESSURE: 4352400 -103.932 112.296 -0.631841 112.295 -30.9211 50.7925 -0.6333 50.7926 -205.342 GPRESSURE: 4352400 -104.279 119.627 -24.318 101.026 31.5245 -12.3595 -27.8303 59.3873 -170.067 PRESSAVG: 4352400 -14.7156 -20.994 -7.55642 -20.9939 49.3346 21.7555 -7.55648 21.7554 -38.2115 GPRESSAVG: 4352400 -13.7049 -18.8813 -9.58227 -22.2684 48.797 22.0273 -5.42402 20.1274 -38.4103 TIMING: 4352400 CPU: 13074.6, 0.00310919/step Wall: 13074.6, 0.00310919/step, 0.559309 hours remaining, 208.355469 MB of memory in use. ENERGY: 4352400 760.8515 2041.3507 1888.4230 110.6297 -206194.5817 17863.9414 0.0000 0.0000 34269.0023 -149260.3831 299.2797 -183529.3854 -149152.4610 299.3902 -113.3984 -80.9404 558686.4815 -1.1975 -1.1061 PRESSURE: 4352600 22.0061 25.4735 -25.9248 25.4745 -90.732 -41.2282 -25.9243 -41.2288 -130.955 GPRESSURE: 4352600 27.1143 15.8449 -46.2611 -9.21907 -27.4038 -79.8375 -34.714 36.9189 -102.701 PRESSAVG: 4352600 1.65425 -28.8228 5.06313 -28.8228 61.3766 -18.4585 5.06306 -18.4584 -29.1787 GPRESSAVG: 4352600 1.45329 -28.5536 5.39409 -28.5556 61.9324 -16.3335 4.99038 -17.3563 -29.7295 TIMING: 4352600 CPU: 13075.3, 0.00303304/step Wall: 13075.3, 0.00303304/step, 0.545442 hours remaining, 208.410156 MB of memory in use. ENERGY: 4352600 715.1467 2111.3478 1955.7578 120.3900 -206101.3963 17688.8294 0.0000 0.0000 34295.9343 -149213.9902 299.5149 -183509.9245 -149112.2515 299.1735 -66.5602 -34.3301 556690.5430 11.2840 11.2187 PRESSURE: 4352800 -75.9464 -63.0226 124.441 -63.0217 -243.828 144.314 124.441 144.314 153.393 GPRESSURE: 4352800 66.1607 -34.3106 67.3239 -81.8503 -246.058 106.486 211.129 131.825 104.861 PRESSAVG: 4352800 -15.2786 -12.9402 -14.1971 -12.9402 -26.3004 31.3807 -14.1972 31.3807 50.8074 GPRESSAVG: 4352800 -15.0285 -14.3783 -14.0258 -12.3786 -27.1006 30.7176 -14.0677 30.712 51.422 TIMING: 4352800 CPU: 13075.9, 0.00305032/step Wall: 13075.9, 0.00305032/step, 0.54838 hours remaining, 208.410156 MB of memory in use. ENERGY: 4352800 742.4109 2111.0330 1941.2630 124.5724 -206138.6735 17721.5380 0.0000 0.0000 34199.5017 -149298.3546 298.6728 -183497.8563 -149195.1108 299.1277 -55.4605 -25.0120 558356.3018 3.0761 3.0976 PRESSURE: 4353000 -174.578 98.4971 30.0421 98.4975 -77.4801 17.1937 30.0421 17.194 -237.785 GPRESSURE: 4353000 -159.535 89.7633 23.7817 149.214 -44.9996 5.71029 -12.1593 -45.3889 -186.306 PRESSAVG: 4353000 -41.5182 -1.88947 19.9752 -1.88951 19.8616 -15.185 19.9752 -15.1853 48.4391 GPRESSAVG: 4353000 -41.2937 -2.88235 20.4477 -1.55668 20.2339 -13.8905 20.4299 -15.6349 47.43 TIMING: 4353000 CPU: 13076.5, 0.00306232/step Wall: 13076.5, 0.00306232/step, 0.550367 hours remaining, 208.410156 MB of memory in use. ENERGY: 4353000 732.2685 2090.2716 1938.9897 106.9789 -206122.2701 17622.9195 0.0000 0.0000 34150.5305 -149480.3114 298.2451 -183630.8419 -149381.3070 299.3400 -163.2813 -130.2801 558204.8071 8.9275 8.7901 PRESSURE: 4353200 209.864 121.898 -76.5248 121.897 92.9354 -169.914 -76.526 -169.915 316.715 GPRESSURE: 4353200 219.165 152.051 -50.4417 114.085 150.504 -119.67 -87.1551 -148.948 348.843 PRESSAVG: 4353200 -1.43486 18.4703 -24.9424 18.4703 -19.3977 0.149799 -24.9425 0.149818 10.5885 GPRESSAVG: 4353200 -0.473923 17.5864 -26.7026 19.7092 -20.1378 -2.51088 -24.4315 1.86874 10.8212 TIMING: 4353200 CPU: 13077.1, 0.00305314/step Wall: 13077.1, 0.00305314/step, 0.548548 hours remaining, 208.410156 MB of memory in use. ENERGY: 4353200 754.3899 2100.0638 1942.1120 112.9436 -206610.7245 18281.9500 0.0000 0.0000 34055.4030 -149363.8621 297.4143 -183419.2651 -149267.0984 298.8013 206.5049 239.5043 557713.5397 -3.4147 -3.2635 PRESSURE: 4353400 -80.2761 83.9685 -2.86883 83.9696 178.322 -95.7742 -2.86858 -95.7746 -13.554 GPRESSURE: 4353400 -52.4722 167.835 31.3563 10.6593 198.228 -43.3052 -54.8476 -80.2951 27.165 PRESSAVG: 4353400 43.9669 -30.9251 -6.75488 -30.9252 -38.1142 -13.1439 -6.75499 -13.1439 29.0288 GPRESSAVG: 4353400 42.8545 -30.2701 -6.41881 -29.9749 -36.7494 -12.4511 -8.02693 -13.2878 28.6732 TIMING: 4353400 CPU: 13077.7, 0.00304594/step Wall: 13077.7, 0.00304594/step, 0.547085 hours remaining, 208.410156 MB of memory in use. ENERGY: 4353400 726.6913 2105.7209 1960.7972 104.4313 -206457.3243 18017.0405 0.0000 0.0000 34216.0656 -149326.5775 298.8174 -183542.6431 -149235.5806 299.2878 28.1638 57.6404 559294.4200 11.6272 11.5928 PRESSURE: 4353600 227.921 -142.758 -73.8814 -142.759 -7.72305 -74.2829 -73.8816 -74.2814 72.904 GPRESSURE: 4353600 300.294 -156.764 -33.8466 -230.948 -39.2748 15.7915 -59.7557 -105.046 123.518 PRESSAVG: 4353600 -35.1144 -16.9799 -35.8169 -16.9799 -11.8287 28.0728 -35.8169 28.073 41.8575 GPRESSAVG: 4353600 -34.5547 -15.552 -34.3305 -19.2592 -11.2919 29.387 -36.7597 25.3764 40.7878 TIMING: 4353600 CPU: 13078.3, 0.0030513/step Wall: 13078.3, 0.0030513/step, 0.547879 hours remaining, 208.410156 MB of memory in use. ENERGY: 4353600 737.7928 2114.1281 1985.8615 115.9721 -206693.8817 18200.6017 0.0000 0.0000 34051.1666 -149488.3589 297.3773 -183539.5256 -149382.5672 298.2082 97.7007 128.1792 559902.6549 -1.6952 -1.6863 PRESSURE: 4353800 185.457 64.375 -104.518 64.3745 -301.33 -23.3983 -104.518 -23.3969 -331.379 GPRESSURE: 4353800 192.587 69.1081 -107.19 107.725 -206.982 21.6155 -97.5126 3.86737 -333.084 PRESSAVG: 4353800 -15.5134 -59.2845 8.39938 -59.2846 -4.02151 27.4079 8.3994 27.4079 -4.29261 GPRESSAVG: 4353800 -15.6754 -60.3828 7.03445 -59.1514 -5.51467 27.184 8.86782 28.923 -3.49376 TIMING: 4353800 CPU: 13078.9, 0.00302916/step Wall: 13078.9, 0.00302916/step, 0.543734 hours remaining, 208.410156 MB of memory in use. ENERGY: 4353800 756.9247 2081.2494 1928.0179 123.2109 -206309.2753 17675.5181 0.0000 0.0000 34091.6893 -149652.6651 297.7312 -183744.3544 -149552.6888 297.6400 -149.0843 -115.8264 558345.5782 -7.9425 -8.2279 PRESSURE: 4354000 211.424 0.245867 -18.6328 0.246847 129.741 -103.845 -18.6323 -103.843 2.92439 GPRESSURE: 4354000 221.447 -107.625 -5.74687 88.5793 111.022 -124.36 -79.7702 -164.626 105.194 PRESSAVG: 4354000 5.53539 -19.9026 -29.6055 -19.9026 6.4585 -76.4748 -29.6055 -76.4748 -35.7351 GPRESSAVG: 4354000 4.65633 -22.7723 -28.982 -18.4798 6.22034 -77.5765 -29.7249 -75.6029 -34.8233 TIMING: 4354000 CPU: 13079.5, 0.00302057/step Wall: 13079.5, 0.00302057/step, 0.542025 hours remaining, 208.410156 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: 4354000 768.4601 2076.0815 1941.0599 114.0840 -206561.4870 18072.7958 0.0000 0.0000 34090.1803 -149498.8253 297.7180 -183589.0056 -149412.7147 298.0389 114.6967 145.8878 556843.8200 -7.9137 -7.9822 PRESSURE: 4354200 -65.3716 48.5792 118.796 48.5775 110.137 113.262 118.797 113.262 -160.097 GPRESSURE: 4354200 -33.5156 118.004 128.079 -22.6756 139.4 122.179 130.554 167.035 -114.625 PRESSAVG: 4354200 54.2671 8.11344 38.2008 8.11345 -40.5786 67.2856 38.2008 67.2854 1.45662 GPRESSAVG: 4354200 54.6987 10.6529 37.7554 5.95822 -40.907 67.3908 37.5295 66.2201 1.14691 TIMING: 4354200 CPU: 13080.1, 0.00300868/step Wall: 13080.1, 0.00300868/step, 0.539725 hours remaining, 208.410156 MB of memory in use. ENERGY: 4354200 746.4009 2095.0073 1944.3110 108.2935 -206309.4632 17726.1981 0.0000 0.0000 34176.5077 -149512.7446 298.4719 -183689.2523 -149420.3750 298.9547 -38.4438 -2.9134 555931.1734 5.0484 4.9795 PRESSURE: 4354400 -129.545 102.738 234.797 102.738 -283.217 -203.193 234.796 -203.192 -202.053 GPRESSURE: 4354400 -117.692 87.4083 191.045 68.3983 -309.727 -173.958 229.962 -187.237 -86.6909 PRESSAVG: 4354400 -6.92072 9.30504 25.3121 9.30513 -33.9994 -2.4442 25.3121 -2.44416 0.951258 GPRESSAVG: 4354400 -6.98535 9.69242 24.5024 7.80224 -33.4565 -3.66316 26.3252 -0.191612 0.016331 TIMING: 4354400 CPU: 13080.7, 0.00300254/step Wall: 13080.7, 0.00300254/step, 0.538455 hours remaining, 208.410156 MB of memory in use. ENERGY: 4354400 748.5352 2148.0156 1965.5331 119.1511 -206070.4344 17381.7253 0.0000 0.0000 34229.2585 -149478.2154 298.9326 -183707.4740 -149377.2123 298.3212 -204.9382 -171.3700 555480.3155 -13.3230 -13.4752 PRESSURE: 4354600 -68.5457 103.608 150.172 103.608 -76.8789 57.4054 150.171 57.4042 15.302 GPRESSURE: 4354600 -34.8092 110.438 187.023 126.343 -65.5371 72.7439 212.237 12.1114 50.1022 PRESSAVG: 4354600 61.3806 16.5206 37.0032 16.5206 -67.6528 -33.6671 37.0032 -33.6671 42.9649 GPRESSAVG: 4354600 61.8218 16.1758 36.5902 19.3491 -68.4472 -33.6101 39.8065 -35.3856 42.645 TIMING: 4354600 CPU: 13081.3, 0.00302715/step Wall: 13081.3, 0.00302715/step, 0.542701 hours remaining, 208.476562 MB of memory in use. ENERGY: 4354600 732.5411 2062.8409 1960.6396 120.5147 -206564.6584 17815.8684 0.0000 0.0000 34297.8612 -149574.3925 299.5318 -183872.2537 -149481.7817 298.8298 -43.3742 -16.7480 556136.4216 12.2309 12.0065 PRESSURE: 4354800 -32.2486 21.5764 67.773 21.5759 -63.1051 48.0246 67.7729 48.0228 126.336 GPRESSURE: 4354800 -0.69312 -101.935 -31.8465 77.9542 -27.228 28.6293 50.4 47.7122 159.872 PRESSAVG: 4354800 -21.5901 -16.1952 18.3347 -16.1952 -51.8605 18.6029 18.3347 18.6028 84.134 GPRESSAVG: 4354800 -22.3763 -16.9783 19.4733 -15.1934 -51.6178 20.532 16.7064 18.3559 84.6311 TIMING: 4354800 CPU: 13081.9, 0.00300945/step Wall: 13081.9, 0.00300945/step, 0.53936 hours remaining, 208.476562 MB of memory in use. ENERGY: 4354800 774.2201 2092.6479 1942.0235 115.5156 -206596.6108 18015.6763 0.0000 0.0000 34014.6900 -149641.8375 297.0587 -183656.5275 -149542.0693 299.0462 10.3274 43.9836 556436.7341 3.5611 3.5457 PRESSURE: 4355000 -211.724 29.6565 85.424 29.6566 185.296 -119.464 85.4238 -119.464 -127.368 GPRESSURE: 4355000 -151.272 82.4551 98.2851 123.895 165.522 -157.137 91.1451 -81.9592 -66.2898 PRESSAVG: 4355000 -38.9302 -38.1929 38.789 -38.193 -24.917 -55.857 38.7891 -55.8571 54.8284 GPRESSAVG: 4355000 -39.2485 -35.2604 39.5553 -40.0392 -24.7955 -58.9179 38.1068 -53.9046 55.661 TIMING: 4355000 CPU: 13082.5, 0.00299766/step Wall: 13082.5, 0.00299766/step, 0.537082 hours remaining, 208.476562 MB of memory in use. ENERGY: 4355000 737.7146 2151.5749 1951.0415 122.3358 -206248.7631 17695.4240 0.0000 0.0000 33968.5679 -149622.1043 296.6560 -183590.6723 -149532.3174 297.7875 -51.2655 -17.3465 557982.3892 -3.0063 -2.7943 PRESSURE: 4355200 -30.9592 -216.413 -67.4457 -216.413 -23.4728 2.36925 -67.4457 2.3703 57.5914 GPRESSURE: 4355200 -7.21893 -169.19 -126.397 -231.828 21.9526 49.8413 -28.2319 -3.8963 79.6818 PRESSAVG: 4355200 15.9223 -29.405 -0.858247 -29.4049 -6.40878 -48.1298 -0.858291 -48.1298 -2.7749 GPRESSAVG: 4355200 15.2226 -30.4409 -1.85817 -29.4038 -5.83926 -45.4145 1.14779 -50.2748 -2.83595 TIMING: 4355200 CPU: 13083.1, 0.00300693/step Wall: 13083.1, 0.00300693/step, 0.538574 hours remaining, 208.476562 MB of memory in use. ENERGY: 4355200 778.5798 2099.0742 1949.1731 106.2207 -206582.1278 17917.0913 0.0000 0.0000 34319.1590 -149412.8298 299.7178 -183731.9888 -149308.1826 298.5727 1.0531 31.4718 556407.1802 2.2462 2.1825 PRESSURE: 4355400 201.558 112.442 105.776 112.441 42.4921 -20.1902 105.775 -20.1896 151.138 GPRESSURE: 4355400 287.363 168.857 89.9015 68.3548 18.6117 11.4975 135.516 -0.894455 198.134 PRESSAVG: 4355400 -31.662 -34.2754 4.05567 -34.2754 2.28573 -17.9004 4.05574 -17.9003 28.4445 GPRESSAVG: 4355400 -31.6484 -36.6155 2.6405 -35.0751 2.77084 -17.5619 2.75336 -18.9537 27.7112 TIMING: 4355400 CPU: 13083.7, 0.00301147/step Wall: 13083.7, 0.00301147/step, 0.53922 hours remaining, 208.476562 MB of memory in use. ENERGY: 4355400 719.3892 2107.4964 1933.9278 113.1546 -206273.3007 17912.2553 0.0000 0.0000 34086.3156 -149400.7618 297.6843 -183487.0775 -149304.9231 298.7480 131.7292 168.0362 556563.2658 -0.3106 -0.3888 PRESSURE: 4355600 -42.5454 178.393 59.8043 178.394 -93.8493 5.23918 59.8035 5.24029 -63.7062 GPRESSURE: 4355600 -33.9763 91.1768 5.21464 148.294 -24.8899 -6.74697 67.7235 -28.1979 -48.1878 PRESSAVG: 4355600 29.1657 23.2856 28.3328 23.2856 20.794 -23.2497 28.3328 -23.2497 -50.553 GPRESSAVG: 4355600 29.5174 25.7891 30.3045 23.58 20.2939 -23.2714 28.6308 -21.0512 -51.132 TIMING: 4355600 CPU: 13084.3, 0.00302707/step Wall: 13084.3, 0.00302707/step, 0.541845 hours remaining, 208.476562 MB of memory in use. ENERGY: 4355600 739.9573 2110.0536 1956.4339 117.1068 -206231.5052 17576.9866 0.0000 0.0000 34357.1335 -149373.8334 300.0494 -183730.9669 -149283.3978 298.7714 -66.7003 -35.6847 556983.0994 -0.1978 -0.4402 PRESSURE: 4355800 -232.885 77.8366 -121.543 77.8373 113.497 -174.519 -121.542 -174.519 -46.8514 GPRESSURE: 4355800 -258.644 3.08538 -134.397 116.74 199.579 -186.899 -174.04 -133.787 -15.0207 PRESSAVG: 4355800 7.77222 -7.99471 -47.6542 -7.99468 -85.1836 -17.9148 -47.6541 -17.9148 91.162 GPRESSAVG: 4355800 6.15439 -7.89234 -49.8489 -5.80215 -85.4362 -18.6097 -45.1288 -17.8384 93.3226 TIMING: 4355800 CPU: 13084.9, 0.00304468/step Wall: 13084.9, 0.00304468/step, 0.544829 hours remaining, 208.476562 MB of memory in use. ENERGY: 4355800 741.6621 2087.2628 1962.7519 112.1216 -206338.6193 17674.6794 0.0000 0.0000 34351.0189 -149409.1227 299.9960 -183760.1415 -149312.6203 299.3910 -55.4134 -24.6952 556086.0692 4.5835 4.6803 PRESSURE: 4356000 116.763 5.19027 -10.6988 5.19039 -120.219 54.4202 -10.6995 54.4209 -139.807 GPRESSURE: 4356000 188.332 -37.2415 27.2066 53.1308 -70.4889 59.7816 -109.54 88.3106 -166.942 PRESSAVG: 4356000 -21.0327 -17.1189 26.0882 -17.1188 4.96832 16.0207 26.0882 16.0207 1.16129 GPRESSAVG: 4356000 -19.8453 -18.9408 28.5014 -17.8848 5.1915 14.8851 23.9597 17.2066 0.0996707 TIMING: 4356000 CPU: 13085.5, 0.0029904/step Wall: 13085.5, 0.0029904/step, 0.534949 hours remaining, 208.476562 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: 4356000 739.5628 2071.9146 1936.3302 98.4180 -205967.2130 17755.8549 0.0000 0.0000 34068.5080 -149296.6245 297.5288 -183365.1326 -149205.3948 299.6407 -47.7544 -16.3663 558616.2023 -4.9677 -4.8514 PRESSURE: 4356200 -107.139 -103.287 -26.7555 -103.288 -142.903 -139.902 -26.7564 -139.902 -11.2458 GPRESSURE: 4356200 -103.402 -157.015 -116.761 -114.289 -68.992 -131.912 63.4804 -94.0779 7.79352 PRESSAVG: 4356200 25.6494 -28.0561 19.5836 -28.0561 12.7109 12.6202 19.5837 12.6202 -68.8696 GPRESSAVG: 4356200 25.2634 -25.6554 19.1657 -28.5067 12.5204 11.0747 20.0156 11.0672 -68.6696 TIMING: 4356200 CPU: 13086.1, 0.00300027/step Wall: 13086.1, 0.00300027/step, 0.536548 hours remaining, 208.476562 MB of memory in use. ENERGY: 4356200 791.4070 2069.7703 1937.8926 106.9791 -206335.8155 17826.3852 0.0000 0.0000 34406.6054 -149196.7759 300.4814 -183603.3812 -149103.9410 298.7808 -87.0959 -54.8669 558415.0917 -10.1698 -10.2953 LDB: ============= START OF LOAD BALANCING ============== 13089.6 LDB: ============== END OF LOAD BALANCING =============== 13089.6 LDB: =============== DONE WITH MIGRATION ================ 13089.6 Info: useSync: 0 useProxySync: 0 LDB: ============= START OF LOAD BALANCING ============== 13089.9 LDB: Largest compute 4820 load 0.020579 is 17.4% of average load 0.118149 LDB: Average compute 0.001736 is 1.5% of average load 0.118149 LDB: TIME 13089.9 LOAD: AVG 0.118149 MAX 0.217779 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.074 MB LDB: TIME 13089.9 LOAD: AVG 0.118149 MAX 0.217779 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.074 MB LDB: TIME 13089.9 LOAD: AVG 0.118149 MAX 0.217779 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.074 MB LDB: ============== END OF LOAD BALANCING =============== 13089.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13089.9 PRESSURE: 4356400 -164.527 29.5773 -84.5072 29.5776 -43.5543 16.8316 -84.5059 16.833 -39.274 GPRESSURE: 4356400 -99.373 -53.9319 -14.1111 7.27899 -43.2369 -15.9868 -5.92262 -8.36195 -6.02843 PRESSAVG: 4356400 -22.7811 -15.8557 30.0664 -15.8557 68.4661 27.6504 30.0664 27.6504 -52.3695 GPRESSAVG: 4356400 -23.7975 -18.1015 30.5077 -17.0762 69.2972 30.7647 31.3555 26.3247 -51.902 TIMING: 4356400 CPU: 13086.8, 0.00308726/step Wall: 13086.8, 0.00308726/step, 0.551933 hours remaining, 207.843750 MB of memory in use. ENERGY: 4356400 709.2136 2107.3112 1938.0369 115.7337 -206113.1596 17720.2406 0.0000 0.0000 34372.5180 -149150.1056 300.1837 -183522.6236 -149047.8986 299.4812 -82.4519 -49.5461 558081.8651 -2.2282 -2.1341 PRESSURE: 4356600 -28.5395 37.4316 -12.7995 37.4308 -80.6808 -191.527 -12.7995 -191.528 -174.709 GPRESSURE: 4356600 -44.3225 -38.4984 -3.09302 31.9195 -49.8647 -123.964 7.66244 -220.607 -95.9973 PRESSAVG: 4356600 -27.0528 6.55665 -4.79429 6.55661 1.37931 -46.7523 -4.79436 -46.7523 4.44804 GPRESSAVG: 4356600 -25.5146 8.85225 -7.05045 7.87473 -0.339627 -48.4356 -4.89278 -46.3615 4.55148 TIMING: 4356600 CPU: 13087.4, 0.00304232/step Wall: 13087.4, 0.00304232/step, 0.54373 hours remaining, 208.046875 MB of memory in use. ENERGY: 4356600 769.1592 2185.2178 1914.8568 112.0178 -206000.0013 17713.0569 0.0000 0.0000 34052.9172 -149252.7755 297.3926 -183305.6927 -149156.4298 299.3779 -94.6432 -63.3949 558535.8459 -7.0751 -7.1009 PRESSURE: 4356800 191.597 -95.0924 -120.737 -95.0929 -99.1233 -132.339 -120.738 -132.337 -127.776 GPRESSURE: 4356800 166.651 -155.71 -39.2029 -59.2381 -39.2315 -191.481 -164.587 -156.562 -59.8261 PRESSAVG: 4356800 -7.16152 3.09156 -46.6319 3.09161 31.3733 -58.9678 -46.6319 -58.9678 -22.5095 GPRESSAVG: 4356800 -7.4091 4.50999 -43.251 2.80565 32.8301 -58.6085 -48.817 -59.592 -23.4496 TIMING: 4356800 CPU: 13088, 0.00303606/step Wall: 13088, 0.00303606/step, 0.542442 hours remaining, 208.046875 MB of memory in use. ENERGY: 4356800 795.9911 2111.2562 1913.2674 119.9800 -206525.0016 18030.5200 0.0000 0.0000 34236.2428 -149317.7441 298.9936 -183553.9870 -149223.0953 298.8402 -11.7675 22.5313 557505.6334 0.5674 0.6571 PRESSURE: 4357000 -70.1718 157.185 -105.631 157.185 -199.01 -74.7801 -105.629 -74.7795 -119.531 GPRESSURE: 4357000 -58.1314 316.466 -191.45 174.629 -160.02 -47.7854 -167.783 -153.89 -78.5357 PRESSAVG: 4357000 35.4626 59.0754 -31.3305 59.0753 -49.937 -59.0837 -31.3304 -59.0837 -25.1343 GPRESSAVG: 4357000 35.285 58.5278 -35.3007 59.8145 -50.1705 -56.3822 -30.5627 -59.1293 -25.5443 TIMING: 4357000 CPU: 13088.6, 0.00305786/step Wall: 13088.6, 0.00305786/step, 0.546168 hours remaining, 208.046875 MB of memory in use. ENERGY: 4357000 730.6275 2076.4726 1946.3417 114.0844 -206052.1128 17638.6760 0.0000 0.0000 34256.5370 -149289.3737 299.1709 -183545.9107 -149196.1540 299.2228 -129.5712 -98.8957 558418.2555 -13.2029 -13.4766 PRESSURE: 4357200 64.731 106.605 -73.1305 106.606 -5.25306 10.32 -73.1315 10.3193 41.7635 GPRESSURE: 4357200 77.7092 14.6962 12.0029 220.03 24.5866 -56.2304 -163.793 26.2987 99.5084 PRESSAVG: 4357200 35.9686 45.6673 -45.2117 45.6674 -81.3265 -25.6373 -45.2116 -25.6374 28.5534 GPRESSAVG: 4357200 35.1852 43.5876 -42.0688 46.5114 -81.3704 -26.5985 -46.0509 -25.8946 29.5461 TIMING: 4357200 CPU: 13089.2, 0.00302533/step Wall: 13089.2, 0.00302533/step, 0.540189 hours remaining, 208.046875 MB of memory in use. ENERGY: 4357200 774.1741 2147.0980 1952.4873 133.3638 -206565.2360 17997.6813 0.0000 0.0000 34262.3417 -149298.0897 299.2216 -183560.4315 -149204.1420 299.4854 33.7471 67.2681 556928.5617 -5.6015 -5.5464 PRESSURE: 4357400 -25.1615 85.5037 -0.177803 85.5026 109.811 -58.7206 -0.17908 -58.7191 -76.2232 GPRESSURE: 4357400 42.1384 65.4769 -19.3245 169.219 108.666 -71.3368 70.4908 -35.0429 -38.03 PRESSAVG: 4357400 34.6285 37.0738 -86.6031 37.0738 -18.8948 12.8 -86.6032 12.8 8.57474 GPRESSAVG: 4357400 34.2664 37.5466 -86.5557 36.6843 -18.6497 12.7305 -86.52 14.0398 8.24267 TIMING: 4357400 CPU: 13089.8, 0.00304046/step Wall: 13089.8, 0.00304046/step, 0.542722 hours remaining, 208.046875 MB of memory in use. ENERGY: 4357400 760.5935 2056.1872 1950.2103 102.7161 -206463.5103 17912.0451 0.0000 0.0000 34358.4728 -149323.2854 300.0611 -183681.7582 -149231.1669 299.2152 2.8088 37.5913 557569.5701 8.1028 7.9531 PRESSURE: 4357600 -17.0745 -4.77208 -119.919 -4.77231 -432.87 311.2 -119.919 311.2 -66.0392 GPRESSURE: 4357600 -33.8502 43.4622 -129.372 4.59322 -358.216 374.67 -103.848 336.584 -25.6497 PRESSAVG: 4357600 -26.5691 -16.4338 -98.9302 -16.4337 -31.5808 -5.55643 -98.9302 -5.55644 40.2558 GPRESSAVG: 4357600 -27.3901 -14.8538 -100.072 -17.2429 -30.5933 -6.02559 -96.984 -4.59768 40.2708 TIMING: 4357600 CPU: 13090.4, 0.00306179/step Wall: 13090.4, 0.00306179/step, 0.546359 hours remaining, 208.046875 MB of memory in use. ENERGY: 4357600 775.7609 2163.8731 1962.4642 100.5062 -206110.7804 17681.8876 0.0000 0.0000 34210.7395 -149215.5489 298.7709 -183426.2883 -149117.4875 299.7247 -171.9946 -139.2385 557966.7191 -5.9647 -5.9042 PRESSURE: 4357800 24.1012 -59.2838 -197.975 -59.2823 -185.685 -28.6746 -197.975 -28.6736 290.93 GPRESSURE: 4357800 74.2214 -41.6653 -150.964 -2.37274 -169.021 57.6043 -209.668 -60.5587 311.097 PRESSAVG: 4357800 -14.1219 -0.736113 -15.5183 -0.736091 -23.039 26.2639 -15.5183 26.264 64.106 GPRESSAVG: 4357800 -14.1019 -0.667148 -15.9538 -1.08211 -23.4744 27.0355 -17.185 25.7179 64.4711 TIMING: 4357800 CPU: 13091, 0.00302745/step Wall: 13091, 0.00302745/step, 0.540063 hours remaining, 208.046875 MB of memory in use. ENERGY: 4357800 773.8187 2134.1728 1938.6832 111.1841 -206128.3187 17819.8302 0.0000 0.0000 34220.8109 -149129.8190 298.8589 -183350.6298 -149030.2315 299.4056 43.1153 72.0989 556294.7589 8.9817 8.9649 PRESSURE: 4358000 -6.15668 161.795 42.6761 161.795 -157.082 37.4444 42.6775 37.4436 132.775 GPRESSURE: 4358000 7.97818 190.297 138.424 203.273 -115.511 69.9003 43.7445 58.2916 169.826 PRESSAVG: 4358000 21.6499 25.8989 -6.2966 25.8988 -76.0797 -7.67373 -6.29658 -7.67376 81.0608 GPRESSAVG: 4358000 23.7643 24.8685 -5.99851 25.1407 -77.2115 -9.91459 -4.82163 -6.67684 79.5103 TIMING: 4358000 CPU: 13091.6, 0.00302153/step Wall: 13091.6, 0.00302153/step, 0.53884 hours remaining, 208.046875 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: 4358000 728.4512 2157.2097 1950.2351 117.6177 -206264.4402 17960.9190 0.0000 0.0000 34263.9981 -149086.0093 299.2360 -183350.0074 -148992.0300 299.3759 -10.1547 20.7642 557257.3784 8.8770 8.6877 PRESSURE: 4358200 78.3125 178.105 10.7118 178.105 179.694 129.28 10.7119 129.28 -358.532 GPRESSURE: 4358200 94.9394 142.169 22.8917 156.541 189.407 129.554 81.4597 68.6039 -285.684 PRESSAVG: 4358200 -74.7954 6.12017 -18.4901 6.1201 -4.48516 -31.3483 -18.4901 -31.3483 63.8602 GPRESSAVG: 4358200 -76.0821 5.89981 -16.8712 7.02336 -3.40796 -30.9933 -21.3829 -32.6096 64.171 TIMING: 4358200 CPU: 13092.2, 0.00302327/step Wall: 13092.2, 0.00302327/step, 0.538982 hours remaining, 208.046875 MB of memory in use. ENERGY: 4358200 730.8444 2113.4158 1945.1852 109.8951 -206166.3796 17712.2150 0.0000 0.0000 34377.6633 -149177.1608 300.2287 -183554.8241 -149089.2235 299.8841 -33.5085 -0.4461 557103.1334 -5.1401 -5.1063 PRESSURE: 4358400 130.592 -1.81339 -177.253 -1.81245 198.38 -174.533 -177.253 -174.532 257.29 GPRESSURE: 4358400 108.778 36.3171 -130.011 16.02 262.042 -210.983 -227.498 -171.483 318.208 PRESSAVG: 4358400 21.1505 23.5163 -34.6764 23.5162 31.5676 -36.2299 -34.6763 -36.2298 -86.1819 GPRESSAVG: 4358400 21.8085 26.071 -37.0931 24.0279 31.2186 -34.8426 -33.3047 -37.5203 -86.4149 TIMING: 4358400 CPU: 13092.8, 0.00303667/step Wall: 13092.8, 0.00303667/step, 0.541202 hours remaining, 208.046875 MB of memory in use. ENERGY: 4358400 744.7075 2125.6624 1978.8314 118.8764 -206711.9665 18181.4895 0.0000 0.0000 34476.5532 -149085.8461 301.0923 -183562.3993 -148984.4734 299.6831 195.4209 229.6757 556325.1025 -11.1546 -11.1293 PRESSURE: 4358600 -35.6145 -8.02342 225.02 -8.02377 237.115 0.303574 225.02 0.303233 5.66854 GPRESSURE: 4358600 -21.3056 -115.579 262.492 29.631 239.49 -3.15806 130.943 19.8278 78.7165 PRESSAVG: 4358600 46.884 50.346 -41.6244 50.3459 -4.73495 -8.77936 -41.6244 -8.77925 -57.7106 GPRESSAVG: 4358600 47.2714 49.349 -40.6932 50.1917 -5.2151 -8.9956 -41.7001 -9.75743 -57.5631 TIMING: 4358600 CPU: 13093.4, 0.00302543/step Wall: 13093.4, 0.00302543/step, 0.539032 hours remaining, 208.046875 MB of memory in use. ENERGY: 4358600 745.5335 2106.6841 1929.9670 91.9739 -206109.2287 17943.3744 0.0000 0.0000 34313.6573 -148978.0385 299.6697 -183291.6958 -148881.7740 300.2608 69.0565 98.9668 556662.1126 -5.1872 -5.1689 PRESSURE: 4358800 -158.907 -97.6992 5.39097 -97.7 -378.093 78.3688 5.39162 78.3694 -97.7673 GPRESSURE: 4358800 -128.175 -97.5176 -43.0857 -68.2764 -328.245 25.7929 117.688 55.2449 -91.553 PRESSAVG: 4358800 42.2712 -16.0059 7.8614 -16.006 21.0757 -36.5756 7.86133 -36.5756 -66.1904 GPRESSAVG: 4358800 42.4817 -17.6702 5.0891 -15.711 19.7537 -36.5627 9.72213 -35.3343 -65.2075 TIMING: 4358800 CPU: 13094, 0.00301736/step Wall: 13094, 0.00301736/step, 0.537425 hours remaining, 208.046875 MB of memory in use. ENERGY: 4358800 749.7586 2053.1989 1937.0259 110.1618 -205832.5946 17570.4038 0.0000 0.0000 34430.2103 -148981.8354 300.6876 -183412.0456 -148883.3032 299.6022 -211.5889 -182.6577 558886.3062 -0.9478 -0.9907 PRESSURE: 4359000 -268.772 -65.9254 -51.2622 -65.9255 -44.2572 -18.7461 -51.2616 -18.7456 113.444 GPRESSURE: 4359000 -201.213 -105.977 -74.3747 -91.2604 2.07993 -28.6675 -26.0108 36.1742 86.1012 PRESSAVG: 4359000 -7.77318 -5.63516 -6.23108 -5.63514 81.4433 14.5787 -6.23102 14.5786 -54.3557 GPRESSAVG: 4359000 -7.94942 -4.56043 -5.29722 -6.94311 82.6359 14.5738 -7.9193 16.7146 -54.7459 TIMING: 4359000 CPU: 13094.6, 0.00302911/step Wall: 13094.6, 0.00302911/step, 0.53935 hours remaining, 208.046875 MB of memory in use. ENERGY: 4359000 782.1759 2054.3068 1932.6707 105.6405 -206255.6649 17915.0356 0.0000 0.0000 34291.3311 -149174.5042 299.4747 -183465.8353 -149074.3334 300.0457 -66.5284 -37.6773 556770.6133 6.4381 6.6469 PRESSURE: 4359200 12.2754 -64.3288 107.673 -64.3297 9.1829 -137.66 107.673 -137.659 -16.0827 GPRESSURE: 4359200 52.6925 -83.3626 86.0971 22.2277 28.758 -159.145 103.256 -139.621 13.7346 PRESSAVG: 4359200 50.4757 33.7092 20.2514 33.7093 -30.0143 -8.85016 20.2514 -8.85008 -11.939 GPRESSAVG: 4359200 49.5954 32.9884 20.9964 35.9695 -29.2195 -8.31965 22.3428 -9.93114 -11.7635 TIMING: 4359200 CPU: 13095.3, 0.00304055/step Wall: 13095.3, 0.00304055/step, 0.541218 hours remaining, 208.046875 MB of memory in use. ENERGY: 4359200 738.8269 2138.1679 1912.3087 107.1669 -205776.4109 17761.0807 0.0000 0.0000 33978.8510 -149140.0089 296.7458 -183118.8598 -149048.1454 299.6043 1.7919 31.7284 559038.1813 2.8408 2.8708 PRESSURE: 4359400 -222.333 164.366 84.2348 164.363 -111.261 3.41921 84.2347 3.41858 -208.76 GPRESSURE: 4359400 -157.489 182.343 23.9982 116.955 -112.742 21.0137 84.3242 -11.7296 -170.187 PRESSAVG: 4359400 -75.0193 36.7635 58.3774 36.7635 45.5765 20.5853 58.3773 20.5853 -14.1182 GPRESSAVG: 4359400 -75.2366 39.0028 58.4181 33.7545 44.9098 19.0778 56.5423 21.5438 -13.1927 TIMING: 4359400 CPU: 13095.9, 0.00304894/step Wall: 13095.9, 0.00304894/step, 0.542541 hours remaining, 208.046875 MB of memory in use. ENERGY: 4359400 712.6183 2149.9935 1964.4229 125.2856 -205972.2940 17516.3072 0.0000 0.0000 34283.5288 -149220.1378 299.4066 -183503.6666 -149128.7968 299.1694 -180.7848 -146.8058 559200.6384 -14.5203 -14.5065 PRESSURE: 4359600 -125.565 -9.27655 -32.2753 -9.27616 -78.8435 -34.441 -32.2748 -34.4423 -186.308 GPRESSURE: 4359600 -74.6199 -68.3965 -50.5964 27.2927 -25.5395 -115.358 -55.3789 38.1128 -188.615 PRESSAVG: 4359600 -44.1089 -7.22794 -24.1729 -7.22802 28.8919 -25.8885 -24.1729 -25.8884 5.70887 GPRESSAVG: 4359600 -44.1596 -9.31764 -24.0618 -5.33158 29.0816 -25.4951 -21.564 -25.4803 6.08716 TIMING: 4359600 CPU: 13096.5, 0.00306564/step Wall: 13096.5, 0.00306564/step, 0.545344 hours remaining, 208.046875 MB of memory in use. ENERGY: 4359600 756.7081 2106.4374 1937.5692 126.3362 -206197.2778 17712.6313 0.0000 0.0000 34217.1119 -149340.4838 298.8265 -183557.5957 -149244.0855 299.0566 -130.2389 -96.2581 557626.1741 -3.1694 -2.9970 PRESSURE: 4359800 -186.264 -49.6669 123.044 -49.667 -77.1862 -155.181 123.044 -155.182 -192.114 GPRESSURE: 4359800 -129.359 3.07105 57.8915 -70.2656 -32.1268 -175.094 104.478 -87.1334 -195.136 PRESSAVG: 4359800 9.60846 2.02528 30.7088 2.0253 4.60903 -0.358687 30.7088 -0.358652 10.0235 GPRESSAVG: 4359800 10.1542 3.69881 32.2712 1.19686 5.0813 -1.69087 27.9923 0.623644 9.18406 TIMING: 4359800 CPU: 13097.1, 0.00304324/step Wall: 13097.1, 0.00304324/step, 0.541189 hours remaining, 208.046875 MB of memory in use. ENERGY: 4359800 785.7441 2099.1833 1980.0478 117.0682 -206471.6836 17870.8862 0.0000 0.0000 34273.0122 -149345.7418 299.3147 -183618.7541 -149246.3679 299.0105 -151.8545 -118.8737 558498.5749 8.0803 8.1398 PRESSURE: 4360000 -109.206 -222.55 -53.0761 -222.549 -28.2619 133.898 -53.0767 133.898 -88.8216 GPRESSURE: 4360000 -88.7273 -292.161 -21.9831 -244.234 -55.9256 125.403 -19.9185 148.126 13.4989 PRESSAVG: 4360000 6.10374 -33.0986 32.9177 -33.0986 -31.0065 25.4515 32.9178 25.4517 24.3802 GPRESSAVG: 4360000 5.01476 -34.0746 30.9815 -33.751 -30.1657 27.8138 32.0767 21.5757 24.6782 TIMING: 4360000 CPU: 13097.7, 0.00303091/step Wall: 13097.7, 0.00303091/step, 0.538828 hours remaining, 208.046875 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: 4360000 755.6490 2062.7936 1961.4954 106.2702 -206287.7234 17758.3911 0.0000 0.0000 34248.4051 -149394.7189 299.0998 -183643.1240 -149298.9868 298.9225 -75.4299 -43.7180 558386.2937 -0.1742 -0.1576 PRESSURE: 4360200 -197.506 -155 -152.947 -155 -178.682 -83.7802 -152.944 -83.7795 -132.955 GPRESSURE: 4360200 -158.391 -208.462 -139.436 -122.943 -195.697 -46.3127 -192.925 -69.7642 -56.2694 PRESSAVG: 4360200 -35.537 -41.6853 -5.93014 -41.6854 -30.317 20.7238 -5.9302 20.7238 78.0222 GPRESSAVG: 4360200 -33.7928 -41.8352 -5.28971 -40.366 -31.6888 19.0015 -6.97365 23.8662 77.8607 TIMING: 4360200 CPU: 13098.3, 0.00304556/step Wall: 13098.3, 0.00304556/step, 0.541264 hours remaining, 208.046875 MB of memory in use. ENERGY: 4360200 701.6953 2088.9191 1937.7712 115.7440 -205974.7494 17603.8555 0.0000 0.0000 34168.6085 -149358.1557 298.4030 -183526.7642 -149266.6231 298.8300 -169.7143 -136.7858 558240.2133 4.0561 4.1264 LDB: ============= START OF LOAD BALANCING ============== 13101.7 LDB: ============== END OF LOAD BALANCING =============== 13101.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13101.7 LDB: ============= START OF LOAD BALANCING ============== 13102 LDB: Largest compute 4820 load 0.020014 is 16.9% of average load 0.118117 LDB: Average compute 0.001733 is 1.5% of average load 0.118117 LDB: TIME 13102.1 LOAD: AVG 0.118117 MAX 0.22097 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.871 MB LDB: TIME 13102.1 LOAD: AVG 0.118117 MAX 0.22097 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.934 MB LDB: TIME 13102.1 LOAD: AVG 0.118117 MAX 0.22097 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.934 MB LDB: ============== END OF LOAD BALANCING =============== 13102.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13102.1 PRESSURE: 4360400 -13.9957 145.46 98.3048 145.462 43.4073 40.5359 98.3051 40.5358 -29.569 GPRESSURE: 4360400 23.8712 229.961 -0.27448 117.139 57.3762 80.4278 130.589 31.6443 28.0627 PRESSAVG: 4360400 2.37588 44.9773 34.6878 44.9773 -7.2198 34.0754 34.6877 34.0756 -9.46913 GPRESSAVG: 4360400 0.829168 44.4983 32.6697 44.9415 -5.7118 36.3802 36.3579 32.6569 -9.05706 TIMING: 4360400 CPU: 13098.9, 0.00312795/step Wall: 13098.9, 0.00312795/step, 0.555733 hours remaining, 207.207031 MB of memory in use. ENERGY: 4360400 769.3745 2094.3756 1925.8041 113.6366 -206136.6566 17761.0835 0.0000 0.0000 34161.3643 -149311.0180 298.3397 -183472.3822 -149203.2632 298.9749 -0.0525 36.4367 556309.9826 -4.7710 -4.6466 PRESSURE: 4360600 -145.147 31.2069 -70.6686 31.2065 -293.236 -153.931 -70.6691 -153.931 -114.193 GPRESSURE: 4360600 -122.74 59.1437 -30.8866 138.256 -310.722 -62.7027 -137.414 -126.486 -23.098 PRESSAVG: 4360600 21.3937 21.8881 13.3012 21.8881 -24.2116 -10.5469 13.3013 -10.547 1.21854 GPRESSAVG: 4360600 23.0374 21.8209 14.1479 21.6668 -25.414 -12.033 14.5203 -10.2751 0.763259 TIMING: 4360600 CPU: 13099.5, 0.00305934/step Wall: 13099.5, 0.00305934/step, 0.543372 hours remaining, 207.207031 MB of memory in use. ENERGY: 4360600 787.6479 2087.8675 1962.1804 119.6674 -206325.5426 17853.6517 0.0000 0.0000 34087.9102 -149426.6176 297.6982 -183514.5278 -149335.1159 298.7200 -184.1921 -152.1865 557304.6692 -0.5331 -0.5377 PRESSURE: 4360800 302.358 -33.5656 104.173 -33.5667 30.9991 74.8432 104.173 74.8422 -249.533 GPRESSURE: 4360800 296.149 23.3596 6.69241 -60.347 124.864 14.4751 178.958 102.957 -240.256 PRESSAVG: 4360800 64.2679 -10.1861 -4.098 -10.1862 6.88757 42.3744 -4.09796 42.3744 -28.6114 GPRESSAVG: 4360800 64.2087 -9.47783 -4.6634 -11.6873 7.01112 41.2245 -4.04737 42.7665 -28.649 TIMING: 4360800 CPU: 13100.2, 0.00308263/step Wall: 13100.2, 0.00308263/step, 0.547337 hours remaining, 207.207031 MB of memory in use. ENERGY: 4360800 742.1630 2071.0774 1956.4036 122.9601 -206375.8090 17865.2306 0.0000 0.0000 34336.0125 -149281.9620 299.8649 -183617.9744 -149182.3218 299.2149 27.9412 60.2526 556415.1132 14.1814 14.1903 PRESSURE: 4361000 139.099 128.151 222.05 128.15 72.0992 77.3344 222.05 77.3336 -103.973 GPRESSURE: 4361000 204.72 134.502 255.979 142.274 92.4809 9.53022 217.796 74.4997 -79.1884 PRESSAVG: 4361000 81.4977 25.2226 3.74472 25.2227 -12.8183 22.8005 3.74478 22.8004 -70.5002 GPRESSAVG: 4361000 81.8231 25.7418 3.04383 27.1156 -12.2655 23.6969 6.19596 23.8928 -71.5018 TIMING: 4361000 CPU: 13100.8, 0.00308078/step Wall: 13100.8, 0.00308078/step, 0.546838 hours remaining, 207.207031 MB of memory in use. ENERGY: 4361000 776.4320 2045.1166 1982.3209 136.5373 -206232.6993 17899.4456 0.0000 0.0000 34099.4529 -149293.3942 297.7990 -183392.8470 -149200.0849 299.1906 35.7420 72.6707 556337.4510 -0.6069 -0.6481 PRESSURE: 4361200 -0.91386 -54.076 -37.9687 -54.0757 38.5823 31.0194 -37.9682 31.0188 -189.783 GPRESSURE: 4361200 20.114 -41.6894 -86.0768 -149.246 68.3963 48.9913 -27.4246 11.5779 -160.262 PRESSAVG: 4361200 -28.8907 41.4504 11.0912 41.4505 13.1179 34.1597 11.0912 34.1597 14.0584 GPRESSAVG: 4361200 -29.6365 40.5525 11.8492 39.7124 13.9512 33.9833 8.29484 34.1786 14.2258 TIMING: 4361200 CPU: 13101.4, 0.00304267/step Wall: 13101.4, 0.00304267/step, 0.539904 hours remaining, 207.207031 MB of memory in use. ENERGY: 4361200 770.3074 2104.8346 1943.7619 110.5091 -206410.1179 18025.9775 0.0000 0.0000 34218.0242 -149236.7031 298.8345 -183454.7273 -149137.9160 299.3893 -50.7050 -23.9171 558337.9465 -0.5715 -0.4865 PRESSURE: 4361400 -107.747 42.8797 6.96602 42.8784 -135.114 48.2027 6.96559 48.1999 118.512 GPRESSURE: 4361400 -78.3628 70.3333 -6.65719 53.9066 -113.829 69.1897 10.8417 55.7689 161.13 PRESSAVG: 4361400 30.0222 25.8566 -10.9625 25.8566 -48.6988 25.8207 -10.9625 25.8208 21.2413 GPRESSAVG: 4361400 30.2321 28.2636 -9.93032 25.8062 -50.0426 25.952 -12.4436 24.5399 22.546 TIMING: 4361400 CPU: 13102, 0.00301757/step Wall: 13102, 0.00301757/step, 0.535283 hours remaining, 207.207031 MB of memory in use. ENERGY: 4361400 754.7706 2145.5507 1937.2333 111.8389 -206398.3568 17867.7035 0.0000 0.0000 34405.8380 -149175.4216 300.4747 -183581.2597 -149070.0391 300.1224 -41.4498 -10.3538 557270.7522 0.8549 0.9118 PRESSURE: 4361600 140.371 -50.9837 -141.896 -50.9831 -70.9209 -119.504 -141.897 -119.504 205.077 GPRESSURE: 4361600 179.366 -76.0854 -11.3273 71.1207 -43.6485 -114.509 -195.618 -155.31 240.311 PRESSAVG: 4361600 46.8268 12.6316 -48.292 12.6317 11.7314 -37.9587 -48.292 -37.9588 -11.4493 GPRESSAVG: 4361600 45.9428 12.5299 -49.1472 12.3354 13.6548 -38.3171 -46.0821 -37.3411 -12.5765 TIMING: 4361600 CPU: 13102.6, 0.00302794/step Wall: 13102.6, 0.00302794/step, 0.536954 hours remaining, 207.207031 MB of memory in use. ENERGY: 4361600 757.7539 2103.1637 1966.5631 107.0316 -206236.3438 17907.3883 0.0000 0.0000 34316.7444 -149077.6987 299.6967 -183394.4432 -148982.0055 299.5855 91.5091 125.3427 557935.3448 15.7030 15.6737 PRESSURE: 4361800 -51.3944 -140.17 -90.9136 -140.171 -34.0137 -152.08 -90.9142 -152.081 -103.453 GPRESSURE: 4361800 -21.1263 -132.239 -68.9328 -132.623 -3.57566 -149.844 -155.453 -83.8503 -48.3092 PRESSAVG: 4361800 55.5225 -2.1908 -57.3226 -2.19081 -51.3691 17.9058 -57.3227 17.9059 -28.3052 GPRESSAVG: 4361800 56.5973 -3.88132 -57.4563 -1.00164 -51.5756 17.8378 -58.3781 19.5996 -29.2354 TIMING: 4361800 CPU: 13103.2, 0.00302101/step Wall: 13103.2, 0.00302101/step, 0.535559 hours remaining, 207.207031 MB of memory in use. ENERGY: 4361800 736.8312 2111.4869 1947.6169 116.7562 -206105.7203 17889.4639 0.0000 0.0000 34289.3094 -149014.2558 299.4571 -183303.5652 -148913.3774 299.8620 -62.9538 -24.3371 559820.6889 -8.0506 -8.0712 PRESSURE: 4362000 -329.829 -75.2434 -89.7863 -75.2429 4.30559 49.1649 -89.7872 49.1653 -265.308 GPRESSURE: 4362000 -233.985 -66.5762 -54.6251 -16.6668 -37.4385 110.73 -55.9262 53.0618 -223.447 PRESSAVG: 4362000 42.7716 -68.0124 -46.9578 -68.0124 -40.4269 -0.616625 -46.9578 -0.616809 12.2545 GPRESSAVG: 4362000 43.0018 -69.0943 -45.7779 -67.8494 -41.7124 -0.568671 -44.9611 -2.19307 13.3307 TIMING: 4362000 CPU: 13103.8, 0.00302182/step Wall: 13103.8, 0.00302182/step, 0.535534 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: 4362000 764.3130 2106.5462 1951.9736 119.5315 -205831.5270 17506.0258 0.0000 0.0000 34315.6084 -149067.5285 299.6867 -183383.1369 -148970.5894 299.8696 -196.9437 -164.9568 556412.1869 4.8664 4.8734 PRESSURE: 4362200 90.6454 51.2141 -4.39831 51.213 147.293 15.5366 -4.39836 15.538 -152.179 GPRESSURE: 4362200 78.0203 55.4097 22.0709 -46.8612 248.507 29.0163 -37.0246 28.4282 -140.539 PRESSAVG: 4362200 7.67933 85.4319 -24.7843 85.4319 48.5806 4.91362 -24.7843 4.91356 -25.8174 GPRESSAVG: 4362200 7.38952 88.7116 -25.1107 83.3291 49.1258 4.6172 -27.2782 4.47182 -25.3896 TIMING: 4362200 CPU: 13104.4, 0.00302704/step Wall: 13104.4, 0.00302704/step, 0.53629 hours remaining, 207.207031 MB of memory in use. ENERGY: 4362200 781.8935 2110.7701 1958.1110 125.3415 -206518.0517 17978.1523 0.0000 0.0000 34385.1632 -149178.6201 300.2942 -183563.7833 -149080.4469 299.8317 28.5867 61.9961 556713.8873 10.1475 10.3753 PRESSURE: 4362400 -28.9584 100.128 184.755 100.128 -90.6661 -18.238 184.755 -18.2378 -95.4037 GPRESSURE: 4362400 38.1052 225.308 176.501 -1.03693 -75.3202 -32.2501 182.436 -18.7369 -76.7704 PRESSAVG: 4362400 -27.9526 -3.69957 36.1095 -3.69957 6.15405 20.7229 36.1095 20.723 32.2046 GPRESSAVG: 4362400 -28.0241 -5.31795 34.6168 -2.01744 6.31816 17.8486 37.5024 22.2717 32.7184 TIMING: 4362400 CPU: 13105, 0.00305143/step Wall: 13105, 0.00305143/step, 0.540443 hours remaining, 207.207031 MB of memory in use. ENERGY: 4362400 781.2051 2089.0377 1943.6877 106.9830 -205974.7256 17649.9796 0.0000 0.0000 34281.4228 -149122.4097 299.3882 -183403.8324 -149035.0749 299.2977 -71.6761 -37.9952 556643.5359 3.4687 3.6708 PRESSURE: 4362600 -43.0343 2.98016 97.9459 2.98027 90.414 120.589 97.9464 120.588 -33.0094 GPRESSURE: 4362600 -12.5766 -59.7039 133.861 61.6503 126.594 72.7223 117.957 107.36 -6.67063 PRESSAVG: 4362600 -22.0615 21.1105 53.8927 21.1105 -8.73564 27.5255 53.8926 27.5256 56.584 GPRESSAVG: 4362600 -21.5625 19.3763 55.7408 21.5583 -8.00706 29.9162 51.9394 25.8455 55.322 TIMING: 4362600 CPU: 13105.6, 0.00303309/step Wall: 13105.6, 0.00303309/step, 0.537025 hours remaining, 207.207031 MB of memory in use. ENERGY: 4362600 746.9511 2107.1930 1942.5731 113.3152 -206221.7991 17819.4347 0.0000 0.0000 34192.2609 -149300.0711 298.6095 -183492.3320 -149199.4985 299.5063 4.7901 35.7822 557575.8842 8.5956 8.5841 PRESSURE: 4362800 78.1017 22.5794 -22.1111 22.5802 -54.2434 -10.2429 -22.1113 -10.2438 -236.349 GPRESSURE: 4362800 117.785 12.1114 -20.2763 -19.1928 -40.0842 -30.7941 -39.1605 -41.8329 -193.797 PRESSAVG: 4362800 13.3045 -5.17659 21.2338 -5.17657 -2.5905 -9.71004 21.2339 -9.71004 -28.1698 GPRESSAVG: 4362800 12.7734 -5.55798 19.8737 -5.75225 -3.74626 -10.2789 21.4487 -9.97693 -26.916 TIMING: 4362800 CPU: 13106.2, 0.00303087/step Wall: 13106.2, 0.00303087/step, 0.536463 hours remaining, 207.207031 MB of memory in use. ENERGY: 4362800 779.7675 2139.3440 1952.7716 105.4742 -205975.0827 17613.1402 0.0000 0.0000 34201.0597 -149183.5255 298.6864 -183384.5852 -149087.9373 299.4514 -70.8304 -38.6988 556964.5040 -5.8186 -5.9630 PRESSURE: 4363000 -257.704 -179.237 137.49 -179.237 -99.6558 21.3458 137.49 21.3461 55.9669 GPRESSURE: 4363000 -210.727 -158.633 125.663 -167.585 -61.219 -31.2968 140.265 -2.625 82.557 PRESSAVG: 4363000 -27.5825 12.3025 48.1589 12.3026 8.16878 24.3224 48.1589 24.3224 13.2033 GPRESSAVG: 4363000 -26.665 12.6095 48.0516 11.9007 7.70332 24.4209 48.6377 25.2639 12.6025 TIMING: 4363000 CPU: 13106.8, 0.00304699/step Wall: 13106.8, 0.00304699/step, 0.539148 hours remaining, 207.207031 MB of memory in use. ENERGY: 4363000 752.3073 2063.9170 1960.7989 122.1628 -206053.7212 17716.2901 0.0000 0.0000 34121.1962 -149317.0489 297.9889 -183438.2451 -149216.9022 299.6088 -100.4644 -63.1297 557931.4133 -2.0701 -2.1197 PRESSURE: 4363200 -22.9596 90.7995 0.216431 90.8009 115.053 34.2252 0.218636 34.2264 294.894 GPRESSURE: 4363200 45.784 96.7664 -10.4741 83.8811 105.093 67.676 4.52689 -73.3584 326.597 PRESSAVG: 4363200 44.9151 5.93701 67.5027 5.9371 -60.2172 -38.1297 67.5026 -38.1297 37.7813 GPRESSAVG: 4363200 44.9695 7.07233 68.6634 5.80907 -60.0453 -38.1723 66.9486 -37.8439 36.9555 TIMING: 4363200 CPU: 13107.4, 0.00306621/step Wall: 13107.4, 0.00306621/step, 0.542378 hours remaining, 207.207031 MB of memory in use. ENERGY: 4363200 718.3926 2082.9564 1928.4716 104.4464 -206549.8613 17960.8232 0.0000 0.0000 34315.5678 -149439.2031 299.6864 -183754.7710 -149342.1286 298.7366 128.9957 159.1579 556829.8031 7.4931 7.2932 PRESSURE: 4363400 -251.024 116.089 -95.2218 116.091 -142.582 -89.704 -95.2214 -89.703 -156.678 GPRESSURE: 4363400 -236.66 106.601 -108.218 185.451 -112.89 -90.1467 -86.7929 -32.9702 -104.894 PRESSAVG: 4363400 -81.8248 26.9248 34.4061 26.9248 37.0104 -47.3872 34.4062 -47.3872 35.6854 GPRESSAVG: 4363400 -82.6246 26.089 35.1983 27.2415 36.1627 -46.5164 32.8569 -47.1047 36.9119 TIMING: 4363400 CPU: 13108.1, 0.00306161/step Wall: 13108.1, 0.00306161/step, 0.541395 hours remaining, 207.207031 MB of memory in use. ENERGY: 4363400 732.2957 2101.3734 1928.4247 107.3030 -205701.4771 17495.9391 0.0000 0.0000 33943.7295 -149392.4116 296.4390 -183336.1412 -149289.2454 298.2863 -183.4281 -151.4811 558117.9032 -3.0430 -3.1833 PRESSURE: 4363600 -217.148 88.0283 -30.2229 88.0284 17.1721 113.752 -30.2237 113.752 32.5412 GPRESSURE: 4363600 -187.802 119.845 82.4132 173.476 16.2749 74.5015 -44.3898 103.453 100.569 PRESSAVG: 4363600 -45.3609 14.6243 -1.88144 14.6243 -11.2249 -12.7224 -1.88152 -12.7225 31.3192 GPRESSAVG: 4363600 -45.4416 13.1365 -1.67219 16.6975 -11.4607 -12.7782 0.74996 -13.3283 31.9317 TIMING: 4363600 CPU: 13108.7, 0.00303754/step Wall: 13108.7, 0.00303754/step, 0.536969 hours remaining, 207.207031 MB of memory in use. ENERGY: 4363600 696.7093 2122.3333 1941.4677 106.3236 -205764.0543 17520.4803 0.0000 0.0000 34093.5893 -149283.1509 297.7478 -183376.7402 -149193.8072 297.9984 -55.8115 -23.6527 557995.6770 -8.4222 -8.3236 PRESSURE: 4363800 -127.145 -68.3993 -45.3425 -68.3985 82.0906 -121.441 -45.3426 -121.441 -174.063 GPRESSURE: 4363800 -61.2532 -23.9973 -88.3455 -110.965 71.5463 -169.833 -14.1988 -124.832 -138.864 PRESSAVG: 4363800 -32.7028 10.0555 22.1211 10.0555 42.9933 -5.03144 22.121 -5.03144 15.5552 GPRESSAVG: 4363800 -33.2133 11.7734 20.3106 8.70486 43.5854 -6.96331 21.8516 -4.27802 14.5076 TIMING: 4363800 CPU: 13109.3, 0.00301421/step Wall: 13109.3, 0.00301421/step, 0.532678 hours remaining, 207.207031 MB of memory in use. ENERGY: 4363800 731.7514 2090.3776 1963.6002 119.7538 -206257.5289 17789.2913 0.0000 0.0000 34253.8638 -149308.8908 299.1475 -183562.7546 -149215.2730 299.2687 -73.0390 -42.8571 558492.0019 8.6152 8.2933 PRESSURE: 4364000 192.074 -195.833 145.193 -195.833 82.6359 12.3503 145.19 12.3504 -62.8156 GPRESSURE: 4364000 221.357 -199.04 117.421 -130.239 122.078 -17.3092 90.2084 55.6163 -40.9278 PRESSAVG: 4364000 -1.81229 -32.3666 3.9358 -32.3667 18.1333 -7.08668 3.93577 -7.08664 -9.33861 GPRESSAVG: 4364000 -0.210376 -32.6925 4.5109 -32.6644 17.6139 -5.76429 4.09945 -7.46504 -10.4399 TIMING: 4364000 CPU: 13109.9, 0.00302614/step Wall: 13109.9, 0.00302614/step, 0.534618 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: 4364000 732.7181 2088.7520 1962.4940 112.4044 -206524.5746 17941.7324 0.0000 0.0000 34305.8179 -149380.6558 299.6012 -183686.4737 -149277.8532 299.2112 70.6314 100.8357 557959.2878 2.3275 2.3212 PRESSURE: 4364200 78.2006 69.9777 110.068 69.9782 -47.0344 -32.758 110.066 -32.756 313.472 GPRESSURE: 4364200 105.914 60.2335 98.0696 53.5439 -13.7522 -133.798 50.0841 70.3828 334.421 PRESSAVG: 4364200 -23.6234 -12.6771 -30.4942 -12.677 26.2115 -8.26904 -30.4942 -8.26891 11.6678 GPRESSAVG: 4364200 -24.4123 -11.8656 -27.7702 -13.5039 27.324 -6.7646 -31.1015 -9.5926 11.1382 TIMING: 4364200 CPU: 13110.5, 0.00302184/step Wall: 13110.5, 0.00302184/step, 0.533691 hours remaining, 207.207031 MB of memory in use. ENERGY: 4364200 760.6112 2089.6935 1944.6305 113.3796 -206262.8853 17907.4926 0.0000 0.0000 34136.1130 -149310.9649 298.1192 -183447.0779 -149223.6243 298.7633 114.8795 142.1943 558292.2354 4.7520 4.6833 LDB: ============= START OF LOAD BALANCING ============== 13113.9 LDB: ============== END OF LOAD BALANCING =============== 13113.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13113.9 LDB: ============= START OF LOAD BALANCING ============== 13114.2 LDB: Largest compute 4820 load 0.020168 is 17.1% of average load 0.118120 LDB: Average compute 0.001733 is 1.5% of average load 0.118120 LDB: TIME 13114.2 LOAD: AVG 0.11812 MAX 0.214494 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.488 MB LDB: TIME 13114.2 LOAD: AVG 0.11812 MAX 0.214494 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.559 MB LDB: TIME 13114.2 LOAD: AVG 0.11812 MAX 0.214494 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13114.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13114.2 PRESSURE: 4364400 101.351 -21.9039 16.5901 -21.9031 -120.679 35.9808 16.5895 35.9813 -43.9193 GPRESSURE: 4364400 148.15 0.508053 34.7759 -2.24316 -96.4249 57.6294 -3.29248 42.3514 -16.0341 PRESSAVG: 4364400 118.775 -41.4419 3.2924 -41.442 -43.8874 55.0779 3.29243 55.0781 -47.0414 GPRESSAVG: 4364400 118.235 -43.0493 0.434694 -42.2806 -44.0073 52.9534 2.62544 56.9315 -46.7645 TIMING: 4364400 CPU: 13111.1, 0.00305346/step Wall: 13111.1, 0.00305346/step, 0.539106 hours remaining, 207.515625 MB of memory in use. ENERGY: 4364400 794.9656 2084.9875 1964.7060 113.3729 -206364.3688 17883.1458 0.0000 0.0000 34154.5262 -149368.6648 298.2800 -183523.1909 -149269.6599 299.1316 -21.0827 11.8969 556918.0786 9.2820 9.1544 PRESSURE: 4364600 63.3197 -79.966 23.1926 -79.966 127.657 2.5318 23.1908 2.52962 46.3762 GPRESSURE: 4364600 88.5153 -77.0362 23.1644 -23.1895 150.901 26.75 -15.0618 -32.3356 92.4447 PRESSAVG: 4364600 6.97613 13.0991 -6.71688 13.099 4.92421 -31.3593 -6.71694 -31.3592 -30.0698 GPRESSAVG: 4364600 6.8952 14.1344 -5.65307 13.6206 4.64358 -28.9135 -4.7678 -33.1299 -29.0529 TIMING: 4364600 CPU: 13111.7, 0.00301852/step Wall: 13111.7, 0.00301852/step, 0.532769 hours remaining, 207.718750 MB of memory in use. ENERGY: 4364600 741.0778 2069.2744 1951.8735 115.7349 -206627.5524 17986.5163 0.0000 0.0000 34317.7587 -149445.3168 299.7055 -183763.0755 -149349.6771 298.7200 79.1175 110.6202 556931.9747 -6.0565 -5.8381 PRESSURE: 4364800 350.033 -150.951 -59.4584 -150.951 221.291 -84.4913 -59.4567 -84.4919 -24.9749 GPRESSURE: 4364800 328.617 -75.6817 -21.301 -244.05 314.487 -182.498 -111.109 9.84349 6.90882 PRESSAVG: 4364800 10.1521 -64.5189 5.70334 -64.5188 37.9625 4.50859 5.70329 4.50855 -57.395 GPRESSAVG: 4364800 10.2077 -66.5762 5.73844 -64.4578 38.2626 3.29561 4.07498 6.02618 -57.3027 TIMING: 4364800 CPU: 13112.3, 0.00300904/step Wall: 13112.3, 0.00300904/step, 0.530928 hours remaining, 207.976562 MB of memory in use. ENERGY: 4364800 695.7461 2121.9279 1952.5368 107.6453 -206447.4789 18079.5906 0.0000 0.0000 34289.0977 -149200.9346 299.4552 -183490.0323 -149110.8218 298.9690 182.1164 216.6710 557186.3687 -3.0935 -2.9441 PRESSURE: 4365000 -428.304 119.746 -153.824 119.745 -378.327 -52.098 -153.823 -52.0998 -516.108 GPRESSURE: 4365000 -386.484 203.604 -176.908 67.6798 -379.953 -116.896 -134.657 -0.219112 -453.712 PRESSAVG: 4365000 20.8309 45.3475 -11.8062 45.3474 51.7143 42.0839 -11.8062 42.084 -52.185 GPRESSAVG: 4365000 21.6551 47.2617 -12.2807 46.4114 51.8776 41.3065 -12.2541 40.7163 -53.459 TIMING: 4365000 CPU: 13112.9, 0.0030263/step Wall: 13112.9, 0.0030263/step, 0.533806 hours remaining, 207.976562 MB of memory in use. ENERGY: 4365000 747.1279 2065.6601 1928.1857 111.4209 -205694.0371 17286.0588 0.0000 0.0000 34173.3100 -149382.2737 298.4440 -183555.5837 -149281.8543 299.1088 -440.9132 -406.7166 559122.3375 6.7867 6.6912 PRESSURE: 4365200 40.6987 90.5221 12.8915 90.5213 145.804 31.7152 12.892 31.7148 105.563 GPRESSURE: 4365200 63.0907 -17.4739 -23.8222 55.9963 174.642 69.4495 55.3391 63.0139 151.386 PRESSAVG: 4365200 31.034 8.0155 24.8722 8.0156 14.529 4.8059 24.8722 4.80591 -52.5048 GPRESSAVG: 4365200 31.2546 7.58325 24.1774 7.53659 14.3095 4.75343 26.2051 5.94659 -52.7537 TIMING: 4365200 CPU: 13113.5, 0.00301974/step Wall: 13113.5, 0.00301974/step, 0.532481 hours remaining, 207.976562 MB of memory in use. ENERGY: 4365200 755.2272 2049.1410 1927.2893 109.7677 -206117.8423 17804.0773 0.0000 0.0000 34171.1849 -149301.1549 298.4255 -183472.3397 -149200.7121 298.9460 97.3552 129.7062 557086.4628 -2.3139 -2.3965 PRESSURE: 4365400 -153.853 74.4625 115.796 74.4647 25.8291 3.08259 115.796 3.08134 -2.48562 GPRESSURE: 4365400 -85.7946 65.6068 142.707 96.2814 72.8614 126.158 53.0073 -40.8926 -20.4551 PRESSAVG: 4365400 -3.32783 -15.5449 17.697 -15.5449 46.4806 -21.2695 17.6971 -21.2695 -45.3315 GPRESSAVG: 4365400 -2.7903 -14.5832 16.4438 -15.1175 45.4677 -19.1341 19.2816 -22.7524 -45.0264 TIMING: 4365400 CPU: 13114.1, 0.00302383/step Wall: 13114.1, 0.00302383/step, 0.533034 hours remaining, 207.976562 MB of memory in use. ENERGY: 4365400 777.9523 2129.0570 1897.9404 108.9966 -206334.6632 17893.1295 0.0000 0.0000 34163.2289 -149364.3585 298.3560 -183527.5874 -149268.6936 299.3774 -43.5030 -11.1294 556403.6924 -0.7262 -0.7830 PRESSURE: 4365600 30.1282 -3.25775 -66.7331 -3.25745 190.676 -31.8616 -66.7338 -31.8603 25.1775 GPRESSURE: 4365600 89.8541 59.6979 -54.317 -18.1641 259.234 -37.1458 19.9336 11.9698 3.77627 PRESSAVG: 4365600 3.83696 -7.68326 -19.6388 -7.68333 47.9497 4.48288 -19.6388 4.48283 -26.7365 GPRESSAVG: 4365600 3.69092 -8.27508 -19.1647 -8.18888 47.4907 2.9656 -18.5043 4.81906 -26.1749 TIMING: 4365600 CPU: 13114.7, 0.00301755/step Wall: 13114.7, 0.00301755/step, 0.53176 hours remaining, 207.976562 MB of memory in use. ENERGY: 4365600 745.0982 2074.1607 1945.1825 107.4997 -206160.7408 17766.4119 0.0000 0.0000 34132.8773 -149389.5104 298.0909 -183522.3877 -149288.7988 298.9564 81.9939 117.6216 557230.3659 8.3501 8.3356 PRESSURE: 4365800 16.5488 -23.425 38.9498 -23.4255 38.8783 108.169 38.9494 108.169 346.255 GPRESSURE: 4365800 13.633 2.67541 23.0719 -31.358 77.6659 126.128 26.3421 59.4184 414.689 PRESSAVG: 4365800 -8.09787 27.3329 12.156 27.333 -0.48415 39.9427 12.156 39.9429 0.673931 GPRESSAVG: 4365800 -8.63986 27.4074 14.9748 27.9935 0.109864 37.2659 9.6479 39.7697 -0.532332 TIMING: 4365800 CPU: 13115.3, 0.0030414/step Wall: 13115.3, 0.0030414/step, 0.535794 hours remaining, 207.976562 MB of memory in use. ENERGY: 4365800 741.0554 2147.4309 1933.7153 115.2676 -206140.6614 17872.5311 0.0000 0.0000 34024.7350 -149305.9262 297.1465 -183330.6612 -149216.5323 298.6839 133.8941 168.6626 555796.9743 -2.6360 -3.0208 PRESSURE: 4366000 23.6214 142.997 -53.3046 142.998 18.8861 -54.4153 -53.3039 -54.4147 -19.5232 GPRESSURE: 4366000 81.3652 146.17 88.6835 196.867 63.1046 -41.7643 -55.8198 -63.2047 -28.1448 PRESSAVG: 4366000 45.9159 3.97294 -15.7414 3.97284 14.2959 12.1809 -15.7414 12.1808 -10.045 GPRESSAVG: 4366000 46.3194 4.77669 -14.9635 5.15042 14.0894 17.0549 -17.5939 11.8013 -9.97823 TIMING: 4366000 CPU: 13115.9, 0.00301537/step Wall: 13115.9, 0.00301537/step, 0.531039 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: 4366000 771.7204 2058.4439 1936.9907 110.9714 -206313.0374 17853.2633 0.0000 0.0000 34164.1395 -149417.5081 298.3639 -183581.6476 -149314.0585 298.1827 7.6614 38.7750 556468.2866 16.7223 16.8102 PRESSURE: 4366200 102.326 -39.6952 -8.48342 -39.6961 135.224 -35.7918 -8.48355 -35.793 81.1997 GPRESSURE: 4366200 161.664 -82.5837 -51.457 1.62186 153.139 -30.956 -3.44864 -51.8133 99.3398 PRESSAVG: 4366200 1.76911 -11.5376 7.3548 -11.5376 -14.547 21.3738 7.35468 21.3737 -7.07467 GPRESSAVG: 4366200 1.68825 -12.2609 7.02803 -13.0607 -15.6618 18.2172 6.97627 21.9666 -5.59029 TIMING: 4366200 CPU: 13116.5, 0.00301011/step Wall: 13116.5, 0.00301011/step, 0.529947 hours remaining, 207.976562 MB of memory in use. ENERGY: 4366200 732.3183 2107.9482 1932.6235 111.1150 -206107.5426 17797.9612 0.0000 0.0000 34117.0247 -149308.5517 297.9525 -183425.5765 -149212.3448 298.8525 106.2499 138.0476 555567.7787 -6.6175 -6.5213 PRESSURE: 4366400 7.50134 -3.53574 -173.365 -3.53516 -35.4295 -59.6334 -173.367 -59.6341 79.5177 GPRESSURE: 4366400 65.388 7.8876 -131.921 4.00276 -23.6735 80.8594 -205.859 -167.551 112.488 PRESSAVG: 4366400 -17.868 0.311906 -37.5946 0.311844 19.9057 -19.965 -37.5945 -19.9649 49.1269 GPRESSAVG: 4366400 -18.1201 0.398747 -37.3565 0.915654 21.5898 -20.2648 -38.1868 -18.662 48.2776 TIMING: 4366400 CPU: 13117.1, 0.00300781/step Wall: 13117.1, 0.00300781/step, 0.529374 hours remaining, 207.976562 MB of memory in use. ENERGY: 4366400 754.7453 2069.8683 1957.0796 104.5706 -206560.1237 17977.8130 0.0000 0.0000 34284.2078 -149411.8392 299.4125 -183696.0469 -149321.1090 299.1137 17.1965 51.4009 556871.2248 17.0548 17.2491 PRESSURE: 4366600 -148.858 -188.971 -65.2562 -188.971 79.9352 57.6767 -65.2547 57.676 -276.695 GPRESSURE: 4366600 -143.826 -115.214 -48.2388 -185.115 144.484 33.5304 -102.991 29.9637 -253.531 PRESSAVG: 4366600 -17.7559 30.2937 -65.7104 30.2937 21.569 25.634 -65.7104 25.6339 19.1067 GPRESSAVG: 4366600 -17.5642 31.5719 -65.8515 28.8482 20.8731 26.3321 -64.2676 26.2768 19.4527 TIMING: 4366600 CPU: 13117.7, 0.00302374/step Wall: 13117.7, 0.00302374/step, 0.53201 hours remaining, 207.976562 MB of memory in use. ENERGY: 4366600 751.9894 2140.3531 1925.4197 107.6567 -206205.4291 17662.9784 0.0000 0.0000 34259.2062 -149357.8256 299.1942 -183617.0318 -149264.6260 298.3814 -115.2058 -84.2909 556637.5431 7.6399 7.5872 PRESSURE: 4366800 164.436 -177.772 85.5499 -177.773 -41.6042 -160.187 85.5492 -160.187 -43.5562 GPRESSURE: 4366800 199.456 -159.048 33.4514 -129.407 -5.6675 -85.2979 42.9997 -275.66 -19.4605 PRESSAVG: 4366800 21.6225 6.76505 -32.7175 6.76502 37.0203 31.1699 -32.7176 31.1698 -39.5892 GPRESSAVG: 4366800 20.4116 4.92678 -31.325 8.20692 38.1396 31.9961 -32.5101 29.7598 -39.7199 TIMING: 4366800 CPU: 13118.3, 0.00305826/step Wall: 13118.3, 0.00305826/step, 0.537913 hours remaining, 207.976562 MB of memory in use. ENERGY: 4366800 719.1623 2133.4647 1934.3515 119.2361 -206067.7687 17552.7198 0.0000 0.0000 34353.4614 -149255.3729 300.0173 -183608.8344 -149156.6500 299.0197 26.4251 58.1093 554898.5706 6.3512 6.2771 PRESSURE: 4367000 -203.761 39.7185 -85.8272 39.7192 -80.1464 187.257 -85.8267 187.255 -156.706 GPRESSURE: 4367000 -185.088 5.49998 -35.8393 91.9388 -53.2079 147.875 -101.876 163.168 -115.129 PRESSAVG: 4367000 56.9634 -17.5288 -2.99587 -17.5288 -39.7856 12.929 -2.99589 12.9291 -15.6269 GPRESSAVG: 4367000 57.6786 -17.6715 -5.18568 -17.4427 -40.8872 12.3984 -3.2122 12.5804 -15.7824 TIMING: 4367000 CPU: 13119, 0.00304046/step Wall: 13119, 0.00304046/step, 0.534613 hours remaining, 207.976562 MB of memory in use. ENERGY: 4367000 743.5970 2079.8743 1963.4855 113.6115 -205983.8948 17552.0454 0.0000 0.0000 34285.1558 -149246.1254 299.4208 -183531.2812 -149149.3320 299.2144 -146.8712 -117.8084 557812.8111 0.5170 0.3363 PRESSURE: 4367200 -148.415 60.8437 -55.6104 60.8432 -64.7803 16.7163 -55.6112 16.7149 89.2229 GPRESSURE: 4367200 -66.7152 25.1814 4.80109 161.92 -82.6169 -9.03343 -37.5026 34.3332 136.759 PRESSAVG: 4367200 47.5025 -18.6903 -19.6413 -18.6904 -21.7638 58.2988 -19.6414 58.2988 -32.3953 GPRESSAVG: 4367200 46.9592 -16.6505 -20.1959 -19.6853 -21.4391 58.3222 -21.752 58.1161 -31.7963 TIMING: 4367200 CPU: 13119.6, 0.00303457/step Wall: 13119.6, 0.00303457/step, 0.53341 hours remaining, 207.976562 MB of memory in use. ENERGY: 4367200 745.0247 2083.6499 1937.2616 111.9953 -206128.7421 17702.5584 0.0000 0.0000 34144.5453 -149403.7071 298.1928 -183548.2524 -149306.9903 299.5946 -41.3241 -4.1912 556876.7027 -2.2189 -2.0920 PRESSURE: 4367400 73.5762 -34.5906 74.8868 -34.5916 21.0652 -52.3062 74.8861 -52.307 416.551 GPRESSURE: 4367400 97.2172 -16.0937 64.5936 -85.6688 103.229 -36.3027 62.6335 -87.8754 408.57 PRESSAVG: 4367400 -25.1316 -10.319 -52.6654 -10.319 -3.97507 55.0951 -52.6654 55.0951 -0.957321 GPRESSAVG: 4367400 -24.0105 -12.5956 -52.1525 -9.72504 -5.45721 53.6477 -51.7431 55.8648 -0.524752 TIMING: 4367400 CPU: 13120.2, 0.0030184/step Wall: 13120.2, 0.0030184/step, 0.5304 hours remaining, 207.976562 MB of memory in use. ENERGY: 4367400 683.4081 2054.7295 1955.3324 131.9340 -206553.4555 18025.2812 0.0000 0.0000 34404.9436 -149297.8268 300.4669 -183702.7704 -149196.9492 298.5156 170.3973 203.0055 557365.8403 -10.0213 -9.9975 PRESSURE: 4367600 -44.1869 -22.7919 58.7106 -22.7922 -84.3017 -132.513 58.7108 -132.513 -204.744 GPRESSURE: 4367600 -6.71924 -8.57988 140.652 38.7563 -90.4568 -103.742 -26.267 -106.547 -151.392 PRESSAVG: 4367600 -2.06366 53.4036 40.4852 53.4036 68.3371 -39.7613 40.4851 -39.7612 -36.9292 GPRESSAVG: 4367600 -2.09483 52.7962 39.207 56.4512 69.4542 -38.7369 44.0667 -39.5353 -37.8641 TIMING: 4367600 CPU: 13120.8, 0.00303127/step Wall: 13120.8, 0.00303127/step, 0.532493 hours remaining, 207.976562 MB of memory in use. ENERGY: 4367600 739.4169 2110.3312 1964.2442 135.5386 -206088.6754 17689.7656 0.0000 0.0000 34009.5823 -149439.7966 297.0141 -183449.3789 -149350.9822 298.7282 -111.0774 -82.8561 558564.5836 9.7814 9.8317 PRESSURE: 4367800 254.657 -39.6669 128.275 -39.666 378.881 144.446 128.275 144.445 10.2661 GPRESSURE: 4367800 259.146 -103.043 130.116 17.7542 426.292 181.387 152.151 156.46 58.956 PRESSAVG: 4367800 0.252985 -14.8523 -10.505 -14.8522 15.8546 24.763 -10.505 24.7629 -19.1667 GPRESSAVG: 4367800 0.3446 -15.0595 -7.90818 -17.2793 15.0965 24.5691 -13.9062 23.7867 -18.3432 TIMING: 4367800 CPU: 13121.4, 0.00305127/step Wall: 13121.4, 0.00305127/step, 0.535836 hours remaining, 207.976562 MB of memory in use. ENERGY: 4367800 736.1667 2114.6834 1936.9303 102.9228 -206781.1018 18190.0342 0.0000 0.0000 34073.4324 -149626.9319 297.5718 -183700.3643 -149534.0433 297.9902 214.6011 248.1311 556119.8498 -1.0197 -0.9674 PRESSURE: 4368000 13.2718 -42.4451 -14.1922 -42.4439 -70.1433 48.3542 -14.1931 48.3537 -91.6342 GPRESSURE: 4368000 -19.3616 -125.955 -59.9055 13.0679 -18.5912 -0.216022 39.1629 -31.663 -25.7443 PRESSAVG: 4368000 12.2514 5.49785 54.9009 5.4979 58.1158 -36.5924 54.9008 -36.5924 -71.2909 GPRESSAVG: 4368000 11.8384 4.38404 53.0455 7.54872 57.1097 -36.1499 55.9412 -36.1456 -70.3051 TIMING: 4368000 CPU: 13122, 0.00304602/step Wall: 13122, 0.00304602/step, 0.534746 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: 4368000 713.5028 2094.1986 1952.1770 106.0305 -206240.6595 17765.2964 0.0000 0.0000 34055.0108 -149554.4434 297.4109 -183609.4542 -149457.4536 298.7009 -49.5019 -21.2324 558680.6714 -0.3079 -0.4523 PRESSURE: 4368200 93.39 -81.8673 112.626 -81.8694 20.1846 7.1543 112.626 7.15304 -156.823 GPRESSURE: 4368200 183.988 -155.201 190.377 -117.13 15.8795 33.5645 136.481 -76.767 -150.324 PRESSAVG: 4368200 -1.05754 -12.3989 0.67228 -12.3989 -54.471 -30.9735 0.672215 -30.9735 68.0454 GPRESSAVG: 4368200 -1.73381 -9.99158 1.15105 -15.8719 -53.0578 -31.067 1.17015 -30.7813 67.4735 TIMING: 4368200 CPU: 13122.6, 0.00304091/step Wall: 13122.6, 0.00304091/step, 0.53368 hours remaining, 207.976562 MB of memory in use. ENERGY: 4368200 734.0818 2089.6551 1943.4757 114.3473 -206444.2589 17933.7344 0.0000 0.0000 34223.6556 -149405.3090 298.8837 -183628.9646 -149311.0737 298.6543 -14.4161 16.5143 558906.3644 4.1723 4.2273 LDB: ============= START OF LOAD BALANCING ============== 13126 LDB: ============== END OF LOAD BALANCING =============== 13126 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13126 LDB: ============= START OF LOAD BALANCING ============== 13126.3 LDB: Largest compute 4820 load 0.021982 is 18.6% of average load 0.118133 LDB: Average compute 0.001735 is 1.5% of average load 0.118133 LDB: TIME 13126.3 LOAD: AVG 0.118133 MAX 0.216631 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.395 MB LDB: TIME 13126.3 LOAD: AVG 0.118133 MAX 0.216631 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.398 MB LDB: TIME 13126.3 LOAD: AVG 0.118133 MAX 0.216631 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.398 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13126.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13126.3 PRESSURE: 4368400 178.028 169.117 61.7485 169.115 25.2461 67.6775 61.7494 67.6777 -62.3388 GPRESSURE: 4368400 227.865 177.084 32.3008 186.594 85.033 124.4 140.948 56.6267 -84.5332 PRESSAVG: 4368400 -21.2073 -22.8877 -51.688 -22.8877 20.155 15.5125 -51.6881 15.5125 1.46776 GPRESSAVG: 4368400 -21.5997 -21.1702 -51.6619 -21.4212 21.5346 15.2504 -52.19 14.8042 0.171576 TIMING: 4368400 CPU: 13123.2, 0.003102/step Wall: 13123.2, 0.003102/step, 0.544228 hours remaining, 208.417969 MB of memory in use. ENERGY: 4368400 761.1741 2056.0802 1920.7474 108.9621 -206414.0107 17986.9114 0.0000 0.0000 34234.3847 -149345.7508 298.9774 -183580.1355 -149253.0385 298.6869 46.9784 76.1216 556595.6839 0.1385 0.0355 PRESSURE: 4368600 -139.012 -21.756 123.654 -21.7562 39.8642 173.244 123.653 173.246 -258.615 GPRESSURE: 4368600 -67.0685 -21.8628 107.894 -17.6924 22.5722 251.538 107.498 153.992 -206.221 PRESSAVG: 4368600 25.483 -3.57341 5.30362 -3.57335 -7.09164 -13.1687 5.30358 -13.1687 -24.0216 GPRESSAVG: 4368600 25.9483 -5.61837 2.19729 -1.66013 -9.38058 -12.454 6.08013 -13.9708 -21.8908 TIMING: 4368600 CPU: 13123.8, 0.00304846/step Wall: 13123.8, 0.00304846/step, 0.534666 hours remaining, 208.621094 MB of memory in use. ENERGY: 4368600 765.3171 2087.1281 1980.2545 108.2283 -205884.3995 17574.1685 0.0000 0.0000 34131.8886 -149237.4144 298.0823 -183369.3030 -149147.9670 298.3364 -119.2544 -83.5724 557029.0331 -1.8768 -1.7744 PRESSURE: 4368800 -83.4879 -88.5938 197.811 -88.5947 43.3889 -45.3614 197.811 -45.3627 -41.4932 GPRESSURE: 4368800 -73.6832 -20.8149 219.256 -81.1413 22.0543 -76.2957 160.237 -64.897 65.2997 PRESSAVG: 4368800 -54.4701 24.6437 6.28098 24.6437 57.3673 12.0882 6.28107 12.0882 19.2306 GPRESSAVG: 4368800 -55.0822 24.6213 9.13967 25.2929 59.0576 11.7048 7.14849 12.6881 17.7251 TIMING: 4368800 CPU: 13124.4, 0.0030601/step Wall: 13124.4, 0.0030601/step, 0.536537 hours remaining, 208.621094 MB of memory in use. ENERGY: 4368800 758.2389 2075.3280 1954.0092 111.9094 -206441.4255 17893.4464 0.0000 0.0000 34432.7315 -149215.7621 300.7096 -183648.4936 -149117.0692 299.6943 -27.1974 4.5569 557986.0925 7.3759 7.2335 PRESSURE: 4369000 -47.1561 1.77567 -57.6772 1.77686 -269.588 29.9388 -57.6771 29.9377 -39.7485 GPRESSURE: 4369000 -42.8005 -67.0366 54.7736 -68.0477 -228.589 113.492 -129.803 60.5365 0.911478 PRESSAVG: 4369000 7.83602 -65.8893 20.1306 -65.8893 22.1293 -33.4605 20.1306 -33.4605 7.5336 GPRESSAVG: 4369000 7.40456 -66.5722 20.7753 -66.9022 21.0335 -32.3524 18.5079 -34.4792 8.32839 TIMING: 4369000 CPU: 13125.1, 0.00305401/step Wall: 13125.1, 0.00305401/step, 0.5353 hours remaining, 208.621094 MB of memory in use. ENERGY: 4369000 753.6902 2042.0056 1956.2140 104.0209 -205954.1748 17698.9484 0.0000 0.0000 34287.3491 -149111.9466 299.4399 -183399.2957 -149011.9883 299.4776 -118.8308 -90.1593 558261.9699 12.4997 12.2555 PRESSURE: 4369200 -24.2928 145.496 102.895 145.495 -31.6379 30.4968 102.896 30.4965 14.8306 GPRESSURE: 4369200 -0.0457183 84.0587 102.32 101.124 5.05658 181.343 47.6387 -11.1148 37.69 PRESSAVG: 4369200 15.213 -32.3784 14.3183 -32.3785 30.6531 29.6582 14.3182 29.6581 -16.2671 GPRESSAVG: 4369200 16.873 -32.0519 15.6323 -33.8554 30.382 28.3345 14.1911 30.7626 -17.6002 TIMING: 4369200 CPU: 13125.7, 0.00307744/step Wall: 13125.7, 0.00307744/step, 0.539236 hours remaining, 208.621094 MB of memory in use. ENERGY: 4369200 717.5216 2066.0005 1940.8542 114.5640 -205775.5965 17725.5540 0.0000 0.0000 34152.5467 -149058.5555 298.2627 -183211.1021 -148958.7979 299.6418 -13.7001 14.2336 558240.6515 9.8663 9.8849 PRESSURE: 4369400 -102.108 -97.2828 1.74794 -97.2825 -193.475 127.357 1.74884 127.357 -162.419 GPRESSURE: 4369400 -89.784 -128.054 26.3312 -65.5648 -125.115 159.33 -9.59138 98.973 -146.741 PRESSAVG: 4369400 -1.83145 -29.153 -50.0071 -29.1529 -9.45228 41.1545 -50.007 41.1545 -1.31789 GPRESSAVG: 4369400 -2.54668 -28.374 -52.23 -28.5213 -9.5718 42.4195 -50.1635 41.3872 -0.580981 TIMING: 4369400 CPU: 13126.3, 0.00303471/step Wall: 13126.3, 0.00303471/step, 0.531581 hours remaining, 208.621094 MB of memory in use. ENERGY: 4369400 709.7939 2109.0314 1947.7018 129.4850 -205895.8447 17544.1852 0.0000 0.0000 34342.7987 -149112.8486 299.9242 -183455.6473 -149012.2788 299.6970 -152.6673 -120.5465 557428.4592 -4.2005 -4.2332 PRESSURE: 4369600 309.049 -13.2627 -62.578 -13.2633 245.773 29.4872 -62.5791 29.4884 366.814 GPRESSURE: 4369600 289.049 18.9503 -126.868 -60.4971 282.182 -137.532 -15.3966 74.4055 449.547 PRESSAVG: 4369600 -8.83536 0.682142 11.5496 0.682167 4.22467 40.9686 11.5495 40.9686 34.7793 GPRESSAVG: 4369600 -9.04675 -0.38755 13.0982 1.42171 4.06221 40.5152 12.2177 39.1166 34.8486 TIMING: 4369600 CPU: 13126.9, 0.00307189/step Wall: 13126.9, 0.00307189/step, 0.537921 hours remaining, 208.621094 MB of memory in use. ENERGY: 4369600 721.2223 2143.5529 1946.3163 117.5214 -206326.6592 18054.8067 0.0000 0.0000 34377.6586 -148965.5812 300.2286 -183343.2397 -148868.8391 299.9335 307.2124 340.2591 554853.5873 10.0562 9.9547 PRESSURE: 4369800 81.2833 -59.0219 -2.03428 -59.0207 111.018 23.2127 -2.03511 23.2146 -120.683 GPRESSURE: 4369800 90.314 28.1191 49.14 -97.4955 175.78 94.5275 -9.5606 -47.4782 -87.1902 PRESSAVG: 4369800 17.3542 -51.9944 -29.5502 -51.9945 -35.1794 -36.1409 -29.5503 -36.1408 34.9839 GPRESSAVG: 4369800 17.8679 -52.4735 -30.4816 -52.2112 -34.2926 -35.4735 -30.7636 -34.2969 33.7563 TIMING: 4369800 CPU: 13127.5, 0.00304644/step Wall: 13127.5, 0.00304644/step, 0.533295 hours remaining, 208.621094 MB of memory in use. ENERGY: 4369800 780.4668 2088.4225 1947.0966 113.3783 -205841.5000 17560.3546 0.0000 0.0000 34159.4311 -149192.3501 298.3228 -183351.7812 -149101.0512 299.6764 23.8728 59.6346 556311.7310 5.7196 5.7772 PRESSURE: 4370000 -7.28279 85.5722 48.6118 85.5727 -133.903 92.678 48.6115 92.6795 192.788 GPRESSURE: 4370000 -21.5456 97.8549 131.075 109.627 -71.7416 76.6627 -10.9767 164.241 250.695 PRESSAVG: 4370000 -31.299 -5.54588 31.0757 -5.54587 41.938 -10.4278 31.0756 -10.4277 -28.1734 GPRESSAVG: 4370000 -32.1863 -4.45608 30.4071 -7.98745 42.6779 -10.5902 31.8791 -10.323 -27.9475 TIMING: 4370000 CPU: 13128.1, 0.00302792/step Wall: 13128.1, 0.00302792/step, 0.529886 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: 4370000 735.2614 2143.4953 1972.3700 125.3764 -206336.4769 17905.2773 0.0000 0.0000 34302.3082 -149152.3884 299.5706 -183454.6965 -149053.0343 299.3121 17.2006 52.4693 556458.6239 -5.8448 -5.8186 PRESSURE: 4370200 -391.787 -37.7861 -21.0599 -37.7861 -186.85 81.9067 -21.0603 81.9069 -64.7108 GPRESSURE: 4370200 -365.032 12.3871 -84.7481 -59.3566 -169.939 52.344 24.3672 55.5303 -16.2076 PRESSAVG: 4370200 -24.2985 34.1863 -35.3276 34.1863 8.93111 53.2177 -35.3276 53.2177 50.1801 GPRESSAVG: 4370200 -23.8275 35.0463 -35.4188 34.2475 7.24855 52.5779 -33.2563 54.9361 51.0115 TIMING: 4370200 CPU: 13128.7, 0.00302112/step Wall: 13128.7, 0.00302112/step, 0.528528 hours remaining, 208.621094 MB of memory in use. ENERGY: 4370200 761.9624 2088.9930 1945.5327 118.7785 -206018.2573 17588.4842 0.0000 0.0000 34355.1054 -149159.4011 300.0317 -183514.5065 -149063.1973 299.5028 -214.4495 -183.7263 556289.9857 11.6042 11.4775 PRESSURE: 4370400 -81.1897 -102.434 16.4032 -102.436 -184.616 -69.1945 16.403 -69.1944 -307.844 GPRESSURE: 4370400 -21.985 -52.5182 41.2153 -53.0286 -185.481 -64.2149 59.5112 -133.516 -259.059 PRESSAVG: 4370400 -2.32106 -3.82935 43.4969 -3.82943 -34.2477 19.0202 43.4969 19.0203 5.63648 GPRESSAVG: 4370400 -1.85232 -5.56619 43.5421 -2.24432 -33.6763 19.0698 42.3583 17.8981 4.60453 TIMING: 4370400 CPU: 13129.3, 0.00302121/step Wall: 13129.3, 0.00302121/step, 0.528377 hours remaining, 208.621094 MB of memory in use. ENERGY: 4370400 750.9970 2117.2628 1934.8873 107.0087 -206025.6475 17617.8608 0.0000 0.0000 34407.1520 -149090.4790 300.4862 -183497.6310 -148994.3232 300.0693 -191.2166 -155.5081 557175.3295 -10.3108 -10.3080 PRESSURE: 4370600 177.349 31.6294 53.3136 31.6293 -146.44 -92.3778 53.3147 -92.3783 24.4601 GPRESSURE: 4370600 207.606 36.7457 17.5377 44.6326 -118.763 -47.4098 56.0064 -84.8279 48.0232 PRESSAVG: 4370600 15.1995 21.4959 -41.0303 21.4959 63.3323 -16.1805 -41.0303 -16.1805 -43.1469 GPRESSAVG: 4370600 13.7185 21.3295 -39.2421 22.4285 63.7103 -16.0135 -43.4597 -17.1988 -42.1609 TIMING: 4370600 CPU: 13129.9, 0.00302505/step Wall: 13129.9, 0.00302505/step, 0.528879 hours remaining, 208.621094 MB of memory in use. ENERGY: 4370600 765.7081 2068.6859 1938.9795 128.4943 -206284.7700 17754.8950 0.0000 0.0000 34354.9693 -149273.0378 300.0305 -183628.0071 -149177.1919 299.0195 18.4566 45.6223 555025.3555 11.7950 11.7560 PRESSURE: 4370800 -161.193 22.2378 -1.7004 22.2391 -189.376 -125.04 -1.70124 -125.041 -246.31 GPRESSURE: 4370800 -142.025 4.6732 -78.8413 113.388 -115.39 -209.236 15.3237 -155.904 -242.952 PRESSAVG: 4370800 61.2738 -26.9847 -8.92811 -26.9846 18.2915 -44.8998 -8.92816 -44.8998 -74.7769 GPRESSAVG: 4370800 61.9359 -26.8481 -9.59012 -27.5254 18.2586 -45.1143 -8.70723 -45.7917 -75.0261 TIMING: 4370800 CPU: 13130.5, 0.00302135/step Wall: 13130.5, 0.00302135/step, 0.528065 hours remaining, 208.824219 MB of memory in use. ENERGY: 4370800 731.7599 2166.0044 1963.4234 107.7968 -205979.6837 17397.6128 0.0000 0.0000 34410.3298 -149202.7566 300.5140 -183613.0864 -149110.6166 298.4937 -198.9595 -166.7889 555542.0771 1.5961 1.7228 PRESSURE: 4371000 52.3818 91.5969 80.3082 91.5979 -37.596 -55.1276 80.3089 -55.1285 -189.611 GPRESSURE: 4371000 35.107 96.8223 134.192 150.883 -24.4892 -135.803 6.37472 -9.79317 -85.4055 PRESSAVG: 4371000 79.3144 42.1564 -29.8992 42.1563 -29.1463 -5.57736 -29.8992 -5.57743 -44.3567 GPRESSAVG: 4371000 79.904 43.8659 -31.7541 40.925 -30.1435 -3.90447 -28.9057 -4.84384 -43.6109 TIMING: 4371000 CPU: 13131.1, 0.00302025/step Wall: 13131.1, 0.00302025/step, 0.527705 hours remaining, 208.824219 MB of memory in use. ENERGY: 4371000 749.6705 2079.9118 1943.5847 126.7113 -206296.1462 17669.1345 0.0000 0.0000 34529.3847 -149197.7489 301.5537 -183727.1335 -149105.7486 299.8370 -58.2752 -24.9293 555373.1882 1.9371 2.0499 PRESSURE: 4371200 -59.367 147.761 20.9477 147.761 -14.8079 122.838 20.9474 122.837 25.1768 GPRESSURE: 4371200 -24.9226 49.3674 17.4617 161.032 45.3141 124.952 -34.1014 101.108 12.65 PRESSAVG: 4371200 4.86048 -35.2729 -12.3998 -35.2728 -19.8276 -18.2995 -12.3998 -18.2994 53.3569 GPRESSAVG: 4371200 3.90562 -35.6534 -12.0721 -35.5095 -17.0155 -20.0281 -12.2083 -17.7197 51.8916 TIMING: 4371200 CPU: 13131.7, 0.00300361/step Wall: 13131.7, 0.00300361/step, 0.52463 hours remaining, 208.824219 MB of memory in use. ENERGY: 4371200 714.1271 2146.9548 1923.9438 103.1579 -206017.6775 17579.3723 0.0000 0.0000 34198.6790 -149351.4427 298.6656 -183550.1217 -149263.4807 299.1988 -16.3327 11.0138 556134.0418 12.7966 12.9272 PRESSURE: 4371400 -377.674 111.741 134.666 111.741 -40.1634 -41.7807 134.664 -41.7809 -110.892 GPRESSURE: 4371400 -298.927 111.135 154.101 40.0414 -43.0765 15.8672 50.9872 -94.1495 -102.779 PRESSAVG: 4371400 -62.9954 31.8754 -3.77864 31.8754 34.5208 27.4757 -3.77864 27.4757 3.01424 GPRESSAVG: 4371400 -62.9752 31.741 -2.54151 30.6186 33.2524 27.9837 -4.82018 26.3211 4.29955 TIMING: 4371400 CPU: 13132.3, 0.00303546/step Wall: 13132.3, 0.00303546/step, 0.530024 hours remaining, 208.824219 MB of memory in use. ENERGY: 4371400 761.2971 2083.5404 1930.8086 109.1739 -205778.8814 17296.2543 0.0000 0.0000 34132.0911 -149465.7161 298.0840 -183597.8072 -149377.7370 298.2735 -176.2433 -148.2607 556486.5657 -8.4868 -8.4744 PRESSURE: 4371600 -140.538 -2.67053 -164.281 -2.67114 241.388 27.991 -164.281 27.9903 239.506 GPRESSURE: 4371600 -86.3662 -36.9684 -169.775 41.3358 276.566 3.06529 -100.57 -27.2671 245.923 PRESSAVG: 4371600 -50.5869 -14.7995 -55.129 -14.7994 32.3722 33.9329 -55.1289 33.933 27.8043 GPRESSAVG: 4371600 -51.1319 -15.7445 -57.7024 -13.3191 32.7863 35.8362 -52.7583 32.8062 27.592 TIMING: 4371600 CPU: 13132.9, 0.00304107/step Wall: 13132.9, 0.00304107/step, 0.530835 hours remaining, 208.824219 MB of memory in use. ENERGY: 4371600 770.7088 2106.7024 1928.3927 106.4406 -206131.7989 18072.1871 0.0000 0.0000 33923.2172 -149224.1500 296.2599 -183147.3672 -149126.9955 299.1983 113.4517 145.3741 556113.4090 3.1965 3.0821 PRESSURE: 4371800 73.7189 -166.747 6.9697 -166.747 -30.5482 -59.233 6.96935 -59.2331 42.4032 GPRESSURE: 4371800 103.629 -119.395 26.285 -156.32 -12.3249 -92.7392 -30.5333 -47.5114 81.6617 PRESSAVG: 4371800 -6.82079 -23.0528 24.6873 -23.0527 11.2965 9.04511 24.6872 9.04522 1.67852 GPRESSAVG: 4371800 -6.49421 -21.438 25.8305 -22.5446 10.4106 7.83478 24.268 9.97691 1.84331 TIMING: 4371800 CPU: 13133.5, 0.00301772/step Wall: 13133.5, 0.00301773/step, 0.526593 hours remaining, 208.824219 MB of memory in use. ENERGY: 4371800 776.8771 2066.6268 1950.2573 114.5181 -206354.5665 17921.2707 0.0000 0.0000 34273.9605 -149251.0560 299.3230 -183525.0165 -149156.7166 299.3352 28.5246 57.6553 556522.7399 2.0514 1.9199 PRESSURE: 4372000 -260.162 93.1834 -56.8465 93.1834 -231.068 36.1528 -56.8471 36.1539 -203.04 GPRESSURE: 4372000 -200.525 -3.87966 -48.4167 171.1 -173.865 24.9408 -12.0319 29.606 -210.203 PRESSAVG: 4372000 -13.2762 -17.0066 -77.5737 -17.0066 -13.3908 16.1595 -77.5738 16.1596 7.96104 GPRESSAVG: 4372000 -12.3594 -18.6263 -76.3999 -15.989 -14.4275 15.3096 -78.9614 17.985 8.41273 TIMING: 4372000 CPU: 13134.1, 0.00302129/step Wall: 13134.1, 0.00302129/step, 0.527048 hours remaining, 208.824219 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: 4372000 757.0432 2097.7943 1922.3664 121.9585 -205818.1391 17409.7874 0.0000 0.0000 34260.2887 -149248.9006 299.2036 -183509.1893 -149151.8900 299.0252 -231.4230 -194.8645 556371.7462 -6.2353 -6.1247 PRESSURE: 4372200 -74.9709 -118.052 -138.951 -118.053 98.9876 22.5269 -138.951 22.5253 -102.787 GPRESSURE: 4372200 -20.1631 -104.797 -182.054 -25.5214 122.384 -48.9244 -217.706 11.8642 -73.6297 PRESSAVG: 4372200 17.3626 -3.04879 -104.528 -3.04884 -13.0959 38.6775 -104.528 38.6775 -11.3184 GPRESSAVG: 4372200 15.7309 -2.61548 -105.972 -2.95745 -11.7052 38.5237 -102.325 37.3286 -11.1508 TIMING: 4372200 CPU: 13134.8, 0.0030274/step Wall: 13134.8, 0.0030274/step, 0.527945 hours remaining, 208.824219 MB of memory in use. ENERGY: 4372200 758.2347 2107.7870 1926.9541 113.9228 -206544.5322 17979.5091 0.0000 0.0000 34343.1880 -149314.9365 299.9276 -183658.1245 -149208.1950 299.5488 -26.2567 9.5305 556196.2317 -2.3506 -2.3750 LDB: ============= START OF LOAD BALANCING ============== 13138.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13138.2 LDB: =============== DONE WITH MIGRATION ================ 13138.2 LDB: ============= START OF LOAD BALANCING ============== 13138.5 LDB: Largest compute 4820 load 0.021360 is 18.1% of average load 0.118180 LDB: Average compute 0.001729 is 1.5% of average load 0.118180 LDB: TIME 13138.5 LOAD: AVG 0.11818 MAX 0.218991 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.301 MB LDB: TIME 13138.5 LOAD: AVG 0.11818 MAX 0.218991 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.301 MB LDB: TIME 13138.5 LOAD: AVG 0.11818 MAX 0.218991 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13138.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13138.5 PRESSURE: 4372400 -124.044 -44.9564 -26.5875 -44.957 -80.0345 96.1243 -26.5884 96.1254 -183.957 GPRESSURE: 4372400 -60.0335 8.8494 -9.71442 -61.2 -46.7346 31.9373 -91.9684 106.135 -181.584 PRESSAVG: 4372400 20.2622 10.4102 13.7435 10.4102 -15.99 72.2769 13.7436 72.277 -15.9996 GPRESSAVG: 4372400 21.575 12.8772 14.3874 7.76673 -16.101 72.816 11.0025 72.7706 -17.3889 TIMING: 4372400 CPU: 13135.4, 0.00309609/step Wall: 13135.4, 0.00309609/step, 0.539752 hours remaining, 208.101562 MB of memory in use. ENERGY: 4372400 753.3217 2098.1815 1925.1465 115.9101 -206011.9110 17657.7388 0.0000 0.0000 34283.5783 -149178.0341 299.4070 -183461.6124 -149085.5202 298.8181 -129.3453 -96.1173 557801.3487 -3.9091 -3.9716 PRESSURE: 4372600 -299.152 -28.5863 -52.1835 -28.5857 -95.0256 157.942 -52.1837 157.943 67.0762 GPRESSURE: 4372600 -242.563 -74.1068 -92.6141 -44.0246 -77.6811 189.076 -48.2409 164.448 84.2963 PRESSAVG: 4372600 -36.0901 21.2476 -47.9 21.2477 15.3523 14.6007 -47.9 14.6006 25.3719 GPRESSAVG: 4372600 -38.5511 18.7824 -45.0534 23.6649 15.3975 13.4675 -47.2869 15.7061 27.0009 TIMING: 4372600 CPU: 13136, 0.00305105/step Wall: 13136, 0.00305105/step, 0.53173 hours remaining, 208.304688 MB of memory in use. ENERGY: 4372600 731.2316 2094.0581 1955.5284 99.1193 -206079.4317 17704.0106 0.0000 0.0000 34213.5252 -149281.9586 298.7952 -183495.4838 -149186.7907 299.6671 -109.0339 -78.6494 558746.8411 1.5447 1.2824 PRESSURE: 4372800 -47.8704 -5.15702 51.3511 -5.15785 -248.166 13.8352 51.3513 13.8338 -293.87 GPRESSURE: 4372800 -37.6432 14.2688 27.7084 -25.7451 -192.486 -62.4995 66.4942 39.3963 -274.034 PRESSAVG: 4372800 13.8656 11.2413 6.38673 11.2413 -8.51006 -6.69315 6.38681 -6.69324 -3.46162 GPRESSAVG: 4372800 15.6258 11.5337 4.20669 11.3111 -9.4608 -5.96277 7.22724 -7.6136 -4.39723 TIMING: 4372800 CPU: 13136.6, 0.00304123/step Wall: 13136.6, 0.00304123/step, 0.52985 hours remaining, 208.562500 MB of memory in use. ENERGY: 4372800 773.4590 2013.7516 1924.6212 104.4401 -206167.0310 17714.6168 0.0000 0.0000 34335.4984 -149300.6440 299.8604 -183636.1424 -149205.8160 299.2119 -196.6355 -168.0543 558539.1179 0.6313 0.5892 PRESSURE: 4373000 69.2442 12.4767 42.3038 12.4764 87.774 43.7414 42.3033 43.7412 284.226 GPRESSURE: 4373000 112.15 4.25876 -23.4227 2.54823 75.8434 80.4962 74.8095 25.6984 359.283 PRESSAVG: 4373000 -6.97484 33.0296 -65.6455 33.0295 1.41947 -50.2499 -65.6456 -50.2499 1.17722 GPRESSAVG: 4373000 -8.10249 32.7914 -66.1374 32.4863 2.35106 -50.2161 -65.4992 -48.6059 1.49705 TIMING: 4373000 CPU: 13137.2, 0.00303401/step Wall: 13137.2, 0.00303401/step, 0.528423 hours remaining, 208.562500 MB of memory in use. ENERGY: 4373000 744.3641 2035.1543 1940.3883 115.1673 -206587.7721 17957.7347 0.0000 0.0000 34268.1287 -149526.8347 299.2721 -183794.9634 -149429.0639 298.5609 147.0815 182.4253 555966.6854 -1.4594 -1.4181 PRESSURE: 4373200 -111.459 101.215 -75.7949 101.215 -87.3256 18.9708 -75.7949 18.9699 -268.682 GPRESSURE: 4373200 -103.008 10.4144 -29.3508 106.693 -42.1378 -0.0247649 -87.7513 51.5926 -203.266 PRESSAVG: 4373200 27.5075 -12.4859 -64.1532 -12.4859 25.5989 14.612 -64.1531 14.612 -72.0123 GPRESSAVG: 4373200 28.1032 -12.1681 -62.8846 -12.3805 25.7313 16.1875 -63.8824 12.483 -72.1597 TIMING: 4373200 CPU: 13137.8, 0.0030411/step Wall: 13137.8, 0.0030411/step, 0.529489 hours remaining, 208.562500 MB of memory in use. ENERGY: 4373200 706.3006 2074.5547 1911.0616 110.1339 -206178.1114 17580.5494 0.0000 0.0000 34133.1395 -149662.3718 298.0932 -183795.5113 -149566.3664 297.3936 -155.8220 -116.1372 557515.2630 -6.3020 -6.1084 PRESSURE: 4373400 31.463 238.287 -24.7551 238.288 84.7825 3.49698 -24.7534 3.49721 -137.824 GPRESSURE: 4373400 38.0041 191.161 0.556627 246.322 123.925 -55.9704 -12.8169 14.7815 -91.977 PRESSAVG: 4373400 59.772 14.7384 -45.0196 14.7385 23.0541 -8.72011 -45.0196 -8.72014 7.49635 GPRESSAVG: 4373400 60.2438 13.0499 -43.471 15.7203 23.2466 -12.2217 -46.1502 -4.42175 6.73108 TIMING: 4373400 CPU: 13138.4, 0.00301892/step Wall: 13138.4, 0.00301892/step, 0.525461 hours remaining, 208.562500 MB of memory in use. ENERGY: 4373400 752.4238 2048.3601 1931.7759 111.8070 -206472.3710 17837.0875 0.0000 0.0000 34254.5169 -149536.3997 299.1532 -183790.9165 -149437.8362 298.1185 -7.1927 23.3173 555853.0082 30.1075 30.0738 PRESSURE: 4373600 -74.7637 -18.4593 -22.4904 -18.4589 -179.149 -162.214 -22.4912 -162.214 -126.896 GPRESSURE: 4373600 -35.3115 -44.4495 4.1269 2.7661 -120.109 -165.18 -96.6426 -77.0319 -127.073 PRESSAVG: 4373600 -9.80482 25.9105 -19.9918 25.9104 18.7348 0.785428 -19.9918 0.785428 -8.78031 GPRESSAVG: 4373600 -10.745 29.0215 -22.2135 24.3216 19.3752 1.62868 -18.7839 -1.99545 -8.58723 TIMING: 4373600 CPU: 13139, 0.00304836/step Wall: 13139, 0.00304836/step, 0.530414 hours remaining, 208.562500 MB of memory in use. ENERGY: 4373600 751.6180 2038.9599 1930.0447 113.5724 -206523.3344 17752.6838 0.0000 0.0000 34211.8088 -149724.6468 298.7802 -183936.4556 -149628.2066 298.2233 -126.9362 -94.1647 556430.0783 0.0499 0.0143 PRESSURE: 4373800 -103.644 -34.6366 -120.122 -34.6368 70.7416 22.754 -120.12 22.7539 -187.711 GPRESSURE: 4373800 -81.8231 37.6042 -106.977 -136.934 60.5112 112.269 -81.2008 -22.731 -99.6284 PRESSAVG: 4373800 -41.3337 46.5782 -44.4908 46.5783 42.5426 15.7531 -44.4906 15.7532 -19.2368 GPRESSAVG: 4373800 -40.4645 42.4226 -43.4268 48.8299 40.9672 17.2766 -45.7202 15.6206 -18.8721 TIMING: 4373800 CPU: 13139.6, 0.00303794/step Wall: 13139.6, 0.00303794/step, 0.528432 hours remaining, 208.562500 MB of memory in use. ENERGY: 4373800 753.1048 2103.5164 1924.9241 116.1377 -206469.4277 17842.3959 0.0000 0.0000 34031.8706 -149697.4782 297.2088 -183729.3488 -149603.2619 297.8148 -73.5376 -40.3134 556699.9364 -6.0093 -6.1231 PRESSURE: 4374000 49.5863 -15.8181 -180.408 -15.8178 -142.472 -46.5476 -180.408 -46.5471 -13.6207 GPRESSURE: 4374000 12.1438 -16.2846 -122.441 -16.895 -74.7641 -51.0491 -167.885 -80.8578 68.3961 PRESSAVG: 4374000 -19.2051 -19.3427 -13.1952 -19.3427 29.45 -12.6723 -13.1952 -12.6723 -38.5867 GPRESSAVG: 4374000 -18.69 -17.21 -14.824 -22.4754 28.3094 -13.7741 -10.8268 -11.7531 -37.8423 TIMING: 4374000 CPU: 13140.2, 0.00307495/step Wall: 13140.2, 0.00307495/step, 0.534699 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: 4374000 739.7489 2136.2191 1944.5946 117.3282 -206265.2256 17582.0122 0.0000 0.0000 34018.1355 -149727.1871 297.0888 -183745.3226 -149631.9630 297.8703 -35.5020 1.9253 555404.9591 -9.4473 -9.4077 PRESSURE: 4374200 -213.964 -7.90147 5.60261 -7.90193 -147.576 2.92271 5.6018 2.92234 -94.7683 GPRESSURE: 4374200 -101.072 -57.4635 -12.4261 92.3299 -139.5 -45.609 -11.9368 -55.7313 -111.021 PRESSAVG: 4374200 48.6461 4.00747 -0.000927664 4.00752 -35.5841 50.4693 -0.000930057 50.4693 3.04396 GPRESSAVG: 4374200 48.5536 4.85796 -0.479878 6.59911 -35.531 49.8198 -2.44989 48.7407 2.52642 TIMING: 4374200 CPU: 13140.9, 0.00303765/step Wall: 13140.9, 0.00303765/step, 0.528044 hours remaining, 208.562500 MB of memory in use. ENERGY: 4374200 772.8271 2070.0250 1961.2057 101.6824 -206497.5019 17739.2306 0.0000 0.0000 34230.3242 -149622.2068 298.9419 -183852.5310 -149521.0673 298.2487 -152.1027 -117.1976 557538.1122 5.3687 5.1830 PRESSURE: 4374400 228.743 163.877 -141.834 163.877 32.7689 11.335 -141.834 11.3343 -58.8901 GPRESSURE: 4374400 279.973 126.967 -156.463 199.11 64.6679 72.0369 -52.854 -45.2757 -49.484 PRESSAVG: 4374400 21.4683 -34.1991 -25.6992 -34.199 -39.3982 -2.996 -25.6991 -2.99591 -19.8761 GPRESSAVG: 4374400 21.3944 -35.3577 -25.0911 -36.4012 -39.0167 -1.40007 -24.0215 -3.86899 -20.0529 TIMING: 4374400 CPU: 13141.5, 0.00303255/step Wall: 13141.5, 0.00303255/step, 0.52699 hours remaining, 208.562500 MB of memory in use. ENERGY: 4374400 738.2187 2054.4393 1955.3888 92.2861 -206280.9644 17869.0447 0.0000 0.0000 34020.0291 -149551.5577 297.1054 -183571.5868 -149443.6496 297.6522 67.5405 98.3855 556561.1468 -12.6020 -12.5584 PRESSURE: 4374600 62.0755 -80.5085 -7.80621 -80.5071 23.9229 -39.6335 -7.8049 -39.6351 -29.6606 GPRESSURE: 4374600 118.053 -104.954 -68.0844 -51.3192 65.6986 27.0118 14.6142 -102.634 -38.8684 PRESSAVG: 4374600 8.33355 27.8169 -53.1428 27.8169 -45.6863 26.4392 -53.1427 26.4391 34.8452 GPRESSAVG: 4374600 7.64075 27.7752 -50.5432 28.3657 -44.6291 26.6051 -54.4476 26.8478 33.8899 TIMING: 4374600 CPU: 13142.1, 0.00303742/step Wall: 13142.1, 0.00303742/step, 0.527667 hours remaining, 208.562500 MB of memory in use. ENERGY: 4374600 751.9267 2074.4090 1947.8826 120.3804 -206356.5195 17872.1741 0.0000 0.0000 34123.4183 -149466.3285 298.0083 -183589.7468 -149370.1368 298.0760 18.7793 48.2945 557237.1205 -0.8358 -1.0328 PRESSURE: 4374800 346.222 4.68422 211.306 4.68475 -408.835 37.5252 211.306 37.5251 -106.621 GPRESSURE: 4374800 361.33 51.6292 214.047 9.09252 -322.436 -5.72266 235.861 39.7044 -115.766 PRESSAVG: 4374800 -5.98048 15.1733 2.36502 15.1733 24.5101 -16.1415 2.36499 -16.1414 -30.1177 GPRESSAVG: 4374800 -5.29204 15.7353 1.8804 14.6498 23.2425 -16.3879 2.48633 -16.589 -29.1358 TIMING: 4374800 CPU: 13142.7, 0.0030335/step Wall: 13142.7, 0.0030335/step, 0.526817 hours remaining, 208.593750 MB of memory in use. ENERGY: 4374800 730.3082 2060.1700 1941.2284 115.5563 -206084.3294 17775.0173 0.0000 0.0000 34079.1269 -149382.9222 297.6215 -183462.0491 -149289.5930 298.0676 -56.4113 -25.6239 558646.8157 -3.8627 -3.7285 PRESSURE: 4375000 -47.4968 -57.783 112.705 -57.7826 -161.008 -30.0721 112.705 -30.072 -203.655 GPRESSURE: 4375000 5.45562 -76.8104 109.164 -2.54208 -145.399 -76.4979 158.964 -34.6118 -167.414 PRESSAVG: 4375000 -3.76715 -49.4298 -5.89236 -49.4299 9.9361 -10.1734 -5.89242 -10.1734 -3.48753 GPRESSAVG: 4375000 -3.58518 -50.4871 -5.16903 -49.7445 10.5885 -9.85804 -7.22597 -7.07136 -3.75552 TIMING: 4375000 CPU: 13143.3, 0.00303971/step Wall: 13143.3, 0.00303971/step, 0.527728 hours remaining, 208.593750 MB of memory in use. ENERGY: 4375000 732.6175 2054.4855 1930.8129 116.5189 -206110.0446 17557.0495 0.0000 0.0000 34253.1136 -149465.4468 299.1410 -183718.5604 -149373.7751 298.5253 -137.3865 -102.4527 557165.3806 0.8938 1.0826 PRESSURE: 4375200 -159.906 -70.2811 -11.9667 -70.2798 57.0504 -67.498 -11.968 -67.496 -353.158 GPRESSURE: 4375200 -168.204 -83.9929 -42.3966 -82.549 91.4087 -65.7237 -43.9337 -122.936 -288.795 PRESSAVG: 4375200 88.9406 -6.74977 -53.8919 -6.74964 -43.3736 45.5674 -53.8919 45.5675 -8.38783 GPRESSAVG: 4375200 89.1586 -5.64995 -55.879 -5.51075 -42.9121 46.7479 -51.3269 42.0712 -8.88994 TIMING: 4375200 CPU: 13143.9, 0.0030444/step Wall: 13143.9, 0.0030444/step, 0.528373 hours remaining, 208.593750 MB of memory in use. ENERGY: 4375200 768.1952 2063.4359 1944.4936 119.0630 -206050.1947 17595.8728 0.0000 0.0000 34274.9298 -149284.2044 299.3315 -183559.1341 -149182.8783 299.0413 -152.0048 -121.8634 558682.0776 12.3931 12.4522 PRESSURE: 4375400 -22.0578 -55.6993 -8.01333 -55.6995 -205.882 21.6677 -8.01433 21.6664 35.1407 GPRESSURE: 4375400 -45.1351 -84.1289 -34.8372 -13.7343 -123.818 3.74496 -9.87635 46.9101 73.6709 PRESSAVG: 4375400 72.6351 -9.89224 12.1553 -9.89226 -76.0981 33.8355 12.1553 33.8355 18.1827 GPRESSAVG: 4375400 71.968 -9.47575 12.5774 -12.1173 -75.7642 33.0865 12.026 34.9412 19.1472 TIMING: 4375400 CPU: 13144.5, 0.00305631/step Wall: 13144.5, 0.00305631/step, 0.530269 hours remaining, 208.593750 MB of memory in use. ENERGY: 4375400 720.6661 2103.6408 1972.0114 107.5238 -206421.0458 17744.9688 0.0000 0.0000 34309.1434 -149463.0915 299.6303 -183772.2349 -149359.8912 298.9518 -64.2664 -31.7609 556134.7060 4.9066 5.1170 PRESSURE: 4375600 45.806 -51.1335 10.2814 -51.1341 -158.25 -84.2 10.283 -84.1995 209.467 GPRESSURE: 4375600 37.7495 12.749 12.9753 3.41178 -93.7834 -106.955 -22.6093 -16.6455 256.377 PRESSAVG: 4375600 76.0807 -0.155934 -19.5689 -0.155896 -83.5804 -16.9671 -19.5689 -16.9671 35.0225 GPRESSAVG: 4375600 75.8394 -0.768453 -19.8669 1.26063 -83.394 -17.2765 -20.0534 -17.5206 34.9722 TIMING: 4375600 CPU: 13145.1, 0.00305068/step Wall: 13145.1, 0.00305068/step, 0.529124 hours remaining, 208.593750 MB of memory in use. ENERGY: 4375600 739.1247 2042.5624 1947.4713 102.8194 -206214.8555 17759.2266 0.0000 0.0000 34286.7406 -149336.9106 299.4346 -183623.6511 -149241.4359 298.9911 32.3408 66.7809 558365.1887 9.1743 9.1392 PRESSURE: 4375800 24.1339 33.4308 -75.626 33.4319 0.448411 -252.105 -75.6276 -252.103 -21.8362 GPRESSURE: 4375800 90.5429 185.723 -58.0866 -13.4588 -7.22877 -220.122 -131.139 -210.115 15.6833 PRESSAVG: 4375800 78.8698 -23.527 -31.1199 -23.5269 -39.2602 -10.6973 -31.12 -10.6973 2.37091 GPRESSAVG: 4375800 79.3731 -24.0274 -29.1946 -21.6194 -39.4464 -9.28032 -31.8751 -9.74037 1.79581 TIMING: 4375800 CPU: 13145.7, 0.00304187/step Wall: 13145.7, 0.00304187/step, 0.527426 hours remaining, 208.593750 MB of memory in use. ENERGY: 4375800 710.6314 2101.1495 1938.7115 118.0963 -206425.8262 17989.4344 0.0000 0.0000 34197.5941 -149370.2091 298.6561 -183567.8031 -149275.5949 299.1892 0.9154 32.9991 557458.1102 13.9935 13.9075 PRESSURE: 4376000 206.334 56.1447 -33.5501 56.1444 12.9546 -16.1869 -33.5498 -16.1861 -42.1003 GPRESSURE: 4376000 292.025 76.2428 -43.1199 74.0361 69.6551 -88.255 -0.952057 29.8169 -80.049 PRESSAVG: 4376000 44.8925 -22.9531 53.9615 -22.9532 -31.8033 -30.1075 53.9617 -30.1074 -25.7485 GPRESSAVG: 4376000 45.1748 -22.2217 52.4446 -25.4511 -32.0734 -29.6108 54.9878 -31.0606 -25.7072 TIMING: 4376000 CPU: 13146.3, 0.00303907/step Wall: 13146.3, 0.00303907/step, 0.526772 hours remaining, 208.593750 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: 4376000 778.4517 2075.8863 1950.2936 112.6171 -206518.0125 17965.7514 0.0000 0.0000 34286.1399 -149348.8725 299.4294 -183635.0125 -149254.3904 299.4961 59.0627 93.8771 556122.9018 -4.2198 -4.2019 PRESSURE: 4376200 3.06808 132.036 57.5462 132.037 232.384 171.689 57.5469 171.689 274.764 GPRESSURE: 4376200 39.896 107.314 115.528 177.662 222.008 199.478 -73.0794 185.689 341.041 PRESSAVG: 4376200 4.26031 -24.1017 -25.7327 -24.1017 21.9579 18.9415 -25.7327 18.9415 -53.2894 GPRESSAVG: 4376200 3.53316 -24.6562 -28.3436 -23.6531 21.4234 16.8554 -22.9413 20.712 -52.9294 TIMING: 4376200 CPU: 13146.9, 0.00306122/step Wall: 13146.9, 0.00306122/step, 0.530441 hours remaining, 208.593750 MB of memory in use. ENERGY: 4376200 687.3971 2045.2720 1932.6096 117.2175 -206324.0504 18030.1942 0.0000 0.0000 34253.1907 -149258.1691 299.1416 -183511.3598 -149156.4822 299.3044 170.0720 200.9817 556530.5444 -9.0237 -9.3243 LDB: ============= START OF LOAD BALANCING ============== 13150.4 LDB: ============== END OF LOAD BALANCING =============== 13150.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13150.4 LDB: ============= START OF LOAD BALANCING ============== 13150.7 LDB: Largest compute 4820 load 0.022618 is 19.1% of average load 0.118133 LDB: Average compute 0.001724 is 1.5% of average load 0.118133 LDB: TIME 13150.7 LOAD: AVG 0.118133 MAX 0.217914 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.039 MB LDB: TIME 13150.7 LOAD: AVG 0.118133 MAX 0.217914 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.039 MB LDB: TIME 13150.7 LOAD: AVG 0.118133 MAX 0.217914 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.039 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13150.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13150.7 PRESSURE: 4376400 382.689 -81.7386 73.0084 -81.7388 201.354 -73.6646 73.008 -73.6657 68.788 GPRESSURE: 4376400 446.605 -36.4599 60.538 -167.655 220.174 -87.7521 114.354 -84.6492 77.0153 PRESSAVG: 4376400 94.2442 6.81727 25.3993 6.81734 -45.8364 -43.382 25.3992 -43.3818 -22.4426 GPRESSAVG: 4376400 93.5096 7.13095 26.7612 4.78277 -45.0599 -41.9203 23.7526 -45.0206 -22.6087 TIMING: 4376400 CPU: 13147.6, 0.00310178/step Wall: 13147.6, 0.00310178/step, 0.537298 hours remaining, 207.550781 MB of memory in use. ENERGY: 4376400 784.1615 2065.1406 1939.5532 110.9673 -206564.6670 18207.0033 0.0000 0.0000 34202.3550 -149255.4861 298.6977 -183457.8411 -149164.6021 298.8173 217.6103 247.9317 556277.1344 8.6551 8.6137 PRESSURE: 4376600 128.149 162.797 72.4713 162.798 145.526 -5.89275 72.4709 -5.89471 -80.3829 GPRESSURE: 4376600 175.687 219.102 178.897 167.229 178.825 52.8328 19.0072 -59.8358 -66.9418 PRESSAVG: 4376600 57.5657 -1.02733 3.2235 -1.02731 -63.6581 44.7577 3.22347 44.7577 -16.8895 GPRESSAVG: 4376600 57.2477 0.904292 5.33927 -0.292363 -63.0257 43.9034 2.58993 47.0185 -17.5681 TIMING: 4376600 CPU: 13148.2, 0.00302854/step Wall: 13148.2, 0.00302854/step, 0.524442 hours remaining, 207.550781 MB of memory in use. ENERGY: 4376600 738.0422 2055.5199 1964.6294 124.6311 -206190.0235 17901.5682 0.0000 0.0000 34388.3096 -149017.3232 300.3217 -183405.6328 -148924.9438 298.9668 64.4308 95.8566 557611.7821 -7.6607 -7.7820 PRESSURE: 4376800 -36.2761 34.3126 0.863734 34.3122 90.842 -98.0351 0.86396 -98.0361 -3.72422 GPRESSURE: 4376800 14.0828 57.5557 -18.3286 8.07996 107.03 15.0671 11.2917 -63.0996 27.6109 PRESSAVG: 4376800 -0.552511 -4.80767 -15.5692 -4.8077 16.5691 36.6129 -15.5693 36.6129 -19.1967 GPRESSAVG: 4376800 -1.22908 -6.06757 -17.1559 -4.36389 16.6307 36.08 -15.2837 36.1019 -18.2746 TIMING: 4376800 CPU: 13148.8, 0.00300784/step Wall: 13148.8, 0.00300784/step, 0.520691 hours remaining, 207.550781 MB of memory in use. ENERGY: 4376800 748.5677 2038.8007 1957.0192 105.9419 -206158.6813 17821.3155 0.0000 0.0000 34336.9907 -149150.0457 299.8735 -183487.0364 -149048.3654 299.7992 16.9472 49.5746 557844.3825 -1.0600 -0.9577 PRESSURE: 4377000 -219.014 48.2337 -6.59654 48.233 -89.9396 -41.8088 -6.59727 -41.8091 -56.505 GPRESSURE: 4377000 -230.19 49.3908 11.2735 26.3675 -25.2008 -33.9481 -34.1784 -22.0555 -11.7303 PRESSAVG: 4377000 -53.6913 14.7089 6.8213 14.7089 -0.466923 29.5875 6.82129 29.5873 24.4518 GPRESSAVG: 4377000 -52.9407 14.011 7.34909 14.3817 -1.45365 28.4462 4.51199 30.637 24.7457 TIMING: 4377000 CPU: 13149.4, 0.00302151/step Wall: 13149.4, 0.00302151/step, 0.522889 hours remaining, 207.550781 MB of memory in use. ENERGY: 4377000 773.6897 2080.0866 1979.2811 110.8785 -205919.2669 17624.7490 0.0000 0.0000 34298.8185 -149051.7634 299.5401 -183350.5819 -148952.0626 300.0227 -121.8197 -89.0402 557586.5884 -9.9022 -9.8829 PRESSURE: 4377200 371.358 -43.0473 105.733 -43.0471 175.295 1.44937 105.734 1.44832 -30.4806 GPRESSURE: 4377200 388.916 -94.178 38.4003 -22.5798 172.726 -34.1758 67.4141 0.643096 32.9978 PRESSAVG: 4377200 -17.3435 50.865 31.2172 50.8651 15.5311 3.49692 31.2172 3.4969 -0.900192 GPRESSAVG: 4377200 -17.1391 54.2779 31.5085 48.4118 15.1302 2.53244 33.6488 2.72947 -0.83939 TIMING: 4377200 CPU: 13150, 0.00303734/step Wall: 13150, 0.00303734/step, 0.52546 hours remaining, 207.550781 MB of memory in use. ENERGY: 4377200 708.6119 2045.6647 1959.0527 118.2681 -206464.2130 18173.7601 0.0000 0.0000 34214.6440 -149244.2115 298.8050 -183458.8555 -149145.6980 299.6880 172.0573 198.2133 556427.7324 -0.9042 -0.9494 PRESSURE: 4377400 -75.3397 -84.052 -44.6309 -84.0517 366.219 -10.0372 -44.6311 -10.0366 -104.948 GPRESSURE: 4377400 -40.1074 -49.9139 -29.9443 -55.0482 366.994 3.95593 -153.076 -50.5798 -48.7301 PRESSAVG: 4377400 10.1625 23.6591 -30.4142 23.6591 67.3192 -8.18928 -30.414 -8.18927 -66.8394 GPRESSAVG: 4377400 10.1119 21.0964 -30.8693 26.2044 67.8901 -4.96336 -31.4197 -9.11738 -67.7378 TIMING: 4377400 CPU: 13150.6, 0.00305868/step Wall: 13150.6, 0.00305868/step, 0.528982 hours remaining, 207.550781 MB of memory in use. ENERGY: 4377400 734.5988 2076.9782 1976.5850 107.5271 -206159.7731 17708.7442 0.0000 0.0000 34279.3143 -149276.0254 299.3698 -183555.3397 -149172.3055 299.1399 61.9771 92.7190 556962.3483 3.5474 3.4214 PRESSURE: 4377600 34.4496 -19.9152 -275.074 -19.9155 189.919 55.8985 -275.073 55.8999 -125.401 GPRESSURE: 4377600 57.0616 -100.584 -308.745 17.2161 230.571 119.452 -211.711 -12.4096 -102.575 PRESSAVG: 4377600 -5.3981 -62.5951 -68.8617 -62.595 103.467 -28.8242 -68.8617 -28.8242 -73.0976 GPRESSAVG: 4377600 -5.68269 -62.9237 -68.1511 -61.6378 102.295 -29.3919 -69.0747 -31.7445 -72.0233 TIMING: 4377600 CPU: 13151.2, 0.00308182/step Wall: 13151.2, 0.00308182/step, 0.532812 hours remaining, 207.550781 MB of memory in use. ENERGY: 4377600 733.5859 2139.7340 1955.6852 129.6727 -206184.5577 17856.8868 0.0000 0.0000 34340.8975 -149028.0956 299.9076 -183368.9931 -148932.3078 299.6555 32.9893 61.6858 557513.3603 8.3237 8.1962 PRESSURE: 4377800 -122.518 -26.1846 -88.0042 -26.1847 -12.5481 38.2996 -88.0039 38.2987 -119.176 GPRESSURE: 4377800 -131.682 -53.9459 -40.6127 -48.9842 -17.9411 19.0842 -98.7092 34.6031 -17.2553 PRESSAVG: 4377800 -9.76296 -10.6905 -19.0405 -10.6906 33.9524 9.07492 -19.0404 9.07491 -2.88219 GPRESSAVG: 4377800 -9.93763 -12.6774 -16.982 -8.94004 35.4188 10.3245 -19.0975 10.463 -3.43604 TIMING: 4377800 CPU: 13151.8, 0.00307298/step Wall: 13151.8, 0.00307298/step, 0.531113 hours remaining, 207.550781 MB of memory in use. ENERGY: 4377800 745.9129 2095.5614 1957.0579 92.7278 -205978.3633 17582.1824 0.0000 0.0000 34139.8234 -149365.0976 298.1516 -183504.9210 -149265.9851 299.1631 -84.7471 -55.6261 557684.9763 7.1024 7.3484 PRESSURE: 4378000 -209.486 58.8414 125.226 58.8415 -203.565 -62.456 125.227 -62.4563 58.8516 GPRESSURE: 4378000 -173.423 -17.925 77.0136 60.0422 -169.351 -99.5279 183.151 -66.2338 89.0893 PRESSAVG: 4378000 8.1195 -1.52321 27.9158 -1.52326 24.7519 -9.91705 27.9157 -9.91705 -0.468235 GPRESSAVG: 4378000 9.39523 0.736258 25.4014 -4.24226 24.5891 -12.2278 29.0959 -8.11184 -0.764695 TIMING: 4378000 CPU: 13152.4, 0.00306207/step Wall: 13152.4, 0.00306207/step, 0.529058 hours remaining, 207.550781 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: 4378000 778.9110 2073.0743 1972.7161 122.7243 -206340.5380 17814.7820 0.0000 0.0000 34421.6172 -149156.7131 300.6125 -183578.3303 -149059.3226 299.6303 -118.0666 -84.5616 557911.7614 10.8010 11.0732 PRESSURE: 4378200 28.4724 17.1484 -70.3953 17.1485 -345.958 -47.5883 -70.395 -47.5893 -180.254 GPRESSURE: 4378200 84.8732 44.6123 -98.1771 25.3194 -322.96 -97.4814 -77.8297 56.2225 -157.4 PRESSAVG: 4378200 11.3089 -5.02317 23.3722 -5.02302 -27.9128 -36.6931 23.3722 -36.6931 4.52705 GPRESSAVG: 4378200 11.5074 -3.62948 24.8978 -2.77499 -27.7931 -36.8265 21.9185 -37.4105 4.32482 TIMING: 4378200 CPU: 13153, 0.00305394/step Wall: 13153, 0.00305394/step, 0.527483 hours remaining, 207.550781 MB of memory in use. ENERGY: 4378200 750.0325 2073.5024 1970.5195 107.3871 -205686.0049 17344.8948 0.0000 0.0000 34376.1741 -149063.4945 300.2157 -183439.6687 -148967.3956 300.2815 -165.9131 -131.8287 556313.3064 -4.0256 -3.9870 PRESSURE: 4378400 -210.183 -46.1425 71.3012 -46.1417 -53.2923 -97.7489 71.3024 -97.7494 77.2257 GPRESSURE: 4378400 -192.421 43.6345 33.0438 -74.5937 -15.2284 -58.7996 110.551 -110.513 121.246 PRESSAVG: 4378400 -95.4843 48.4144 53.1719 48.4145 -4.09729 -56.3446 53.1719 -56.3445 74.5946 GPRESSAVG: 4378400 -95.9107 45.7131 51.8721 47.8619 -4.06709 -56.9677 53.7722 -56.3481 75.4532 TIMING: 4378400 CPU: 13153.7, 0.00305476/step Wall: 13153.7, 0.00305476/step, 0.527456 hours remaining, 207.550781 MB of memory in use. ENERGY: 4378400 778.5033 2076.1473 1970.5015 108.2248 -205830.0929 17672.8368 0.0000 0.0000 34218.8433 -149005.0359 298.8417 -183223.8792 -148907.7482 300.0742 -62.0831 -28.8011 557649.9920 -8.3290 -8.1749 PRESSURE: 4378600 83.5503 -14.8791 124.443 -14.8798 283.927 170.485 124.443 170.487 247.154 GPRESSURE: 4378600 156.42 42.1208 118.071 -34.7335 269.887 178.226 155.257 144.618 288.852 PRESSAVG: 4378600 -48.942 7.82892 -12.4248 7.82888 -4.36702 -18.751 -12.4249 -18.751 18.6362 GPRESSAVG: 4378600 -49.4172 10.2713 -13.1434 8.02543 -4.09728 -17.77 -10.9654 -18.1539 18.1307 TIMING: 4378600 CPU: 13154.3, 0.00306015/step Wall: 13154.3, 0.00306015/step, 0.528215 hours remaining, 207.550781 MB of memory in use. ENERGY: 4378600 747.0181 2086.2529 1997.3934 124.1131 -206227.7163 18079.4665 0.0000 0.0000 34328.9311 -148864.5412 299.8031 -183193.4722 -148761.5037 299.7652 204.8771 238.3862 555943.3761 -11.5576 -11.7946 PRESSURE: 4378800 -105.34 -164.802 -141.595 -164.802 11.1087 93.1493 -141.594 93.1497 -462.415 GPRESSURE: 4378800 -96.5303 -128.691 -7.39944 -221.168 3.54137 129.072 -181.473 22.1803 -361.773 PRESSAVG: 4378800 -53.6284 -21.5179 -4.52978 -21.5178 27.8035 -17.7844 -4.52976 -17.7844 33.6002 GPRESSAVG: 4378800 -53.9106 -20.7438 -4.47884 -23.5313 26.6102 -19.7892 -4.82888 -16.3585 34.0391 TIMING: 4378800 CPU: 13154.9, 0.00303111/step Wall: 13154.9, 0.00303111/step, 0.523035 hours remaining, 207.550781 MB of memory in use. ENERGY: 4378800 768.1052 2142.2066 1955.8479 116.6322 -205811.5946 17562.5290 0.0000 0.0000 34353.3146 -148912.9591 300.0160 -183266.2737 -148809.2912 300.1933 -185.5488 -151.5872 558018.5377 2.5917 2.2462 PRESSURE: 4379000 65.5285 92.6644 8.33559 92.663 22.2701 235.959 8.33646 235.959 214.96 GPRESSURE: 4379000 124.707 77.5082 47.8527 76.1921 -26.7605 195.712 38.2533 262.471 300.035 PRESSAVG: 4379000 -20.0095 -18.0399 18.8989 -18.0398 -25.4568 -8.57911 18.899 -8.57897 -2.0906 GPRESSAVG: 4379000 -20.5967 -20.9653 20.9641 -16.4021 -24.7649 -7.62732 17.4277 -8.19161 -1.94721 TIMING: 4379000 CPU: 13155.5, 0.00303881/step Wall: 13155.5, 0.00303881/step, 0.524194 hours remaining, 207.550781 MB of memory in use. ENERGY: 4379000 759.4918 2103.0619 1936.2554 101.9057 -205798.0744 17704.6052 0.0000 0.0000 34209.1275 -148983.6268 298.7568 -183192.7544 -148883.8073 299.9450 100.9195 132.6607 557204.7678 -15.8523 -15.7696 PRESSURE: 4379200 -104.45 189.886 208.377 189.886 -26.214 -30.6687 208.378 -30.6674 -53.2368 GPRESSURE: 4379200 -112.9 178.452 206.487 149.16 1.45494 27.2693 243.454 -103.972 13.5974 PRESSAVG: 4379200 4.38323 60.3771 -20.0024 60.3771 -58.5233 34.3593 -20.0024 34.3593 45.4596 GPRESSAVG: 4379200 3.39323 63.8434 -23.9328 59.3548 -58.1139 35.4263 -18.0088 33.5466 46.2768 TIMING: 4379200 CPU: 13156.1, 0.00304866/step Wall: 13156.1, 0.00304866/step, 0.525724 hours remaining, 207.550781 MB of memory in use. ENERGY: 4379200 739.9600 2054.9528 1939.4461 115.0933 -205827.9739 17608.1530 0.0000 0.0000 34183.0365 -149187.3321 298.5290 -183370.3686 -149087.7950 299.0107 -61.3001 -32.6159 558665.4386 -2.8935 -2.8146 PRESSURE: 4379400 247.007 -7.49384 -33.4514 -7.49196 114.719 -46.2178 -33.4515 -46.2175 -231.307 GPRESSURE: 4379400 265.776 -2.57297 49.3644 76.9902 172.759 -25.3233 -112.561 -121.481 -204.771 PRESSAVG: 4379400 -4.0023 52.6182 44.0728 52.618 49.365 -7.03613 44.0729 -7.03615 -24.3612 GPRESSAVG: 4379400 -3.64465 50.1597 45.1148 52.2951 49.4876 -7.13 41.7886 -7.79747 -24.6143 TIMING: 4379400 CPU: 13156.7, 0.00306399/step Wall: 13156.7, 0.00306399/step, 0.528198 hours remaining, 207.550781 MB of memory in use. ENERGY: 4379400 735.4284 2078.6649 1940.1204 121.6740 -206128.1737 17823.5714 0.0000 0.0000 34237.9319 -149190.7828 299.0084 -183428.7147 -149091.7812 299.2885 43.4728 77.9211 556872.5408 7.0005 7.0762 PRESSURE: 4379600 99.2666 176.384 -86.8805 176.384 43.0847 -25.0588 -86.8805 -25.0594 -182.508 GPRESSURE: 4379600 90.3259 140.323 -171.91 110.563 120.109 39.2022 -78.9166 -31.1449 -143.617 PRESSAVG: 4379600 12.2585 -37.228 3.17442 -37.228 -28.7336 -8.09311 3.17443 -8.09317 16.0891 GPRESSAVG: 4379600 12.8289 -37.9795 1.22893 -37.34 -28.7714 -7.34878 6.03007 -8.69087 15.4069 TIMING: 4379600 CPU: 13157.3, 0.00302939/step Wall: 13157.3, 0.00302939/step, 0.522064 hours remaining, 207.550781 MB of memory in use. ENERGY: 4379600 741.4596 2075.1486 1946.7497 108.0074 -205925.8075 17842.6352 0.0000 0.0000 34069.5448 -149142.2623 297.5378 -183211.8071 -149044.1989 299.0379 -13.3855 22.2726 559194.1393 -0.1286 -0.1785 PRESSURE: 4379800 131.615 -82.3605 -131.292 -82.3604 -91.1562 333.53 -131.291 333.53 -105.311 GPRESSURE: 4379800 137.121 -20.341 -160.009 -139.433 -51.8781 354.507 -49.2236 330.483 -57.8628 PRESSAVG: 4379800 -17.2945 -9.13731 -31.3997 -9.1373 4.7066 57.8818 -31.3996 57.8818 -16.649 GPRESSAVG: 4379800 -17.0037 -6.90615 -28.5818 -8.7803 3.23855 57.7321 -33.812 57.702 -15.2234 TIMING: 4379800 CPU: 13157.9, 0.00303972/step Wall: 13157.9, 0.00303972/step, 0.523677 hours remaining, 207.550781 MB of memory in use. ENERGY: 4379800 782.9081 2090.1899 1985.8146 112.7321 -206408.5763 17908.4917 0.0000 0.0000 34429.0370 -149099.4029 300.6773 -183528.4399 -149008.9886 299.2602 -21.6171 9.1268 557865.5605 -9.7456 -9.6629 PRESSURE: 4380000 -162.49 -98.8441 -86.7859 -98.8457 27.5747 155.821 -86.7873 155.822 29.0269 GPRESSURE: 4380000 -164.803 -79.1463 -94.7962 -114.823 78.1407 83.5561 -128.856 213.69 66.9515 PRESSAVG: 4380000 -3.58554 -40.127 -34.4179 -40.127 45.9819 43.5188 -34.4178 43.5189 -10.9984 GPRESSAVG: 4380000 -3.99665 -41.764 -33.8127 -39.626 47.3608 42.9199 -33.5097 44.7483 -12.5145 TIMING: 4380000 CPU: 13158.5, 0.00301696/step Wall: 13158.5, 0.00301696/step, 0.519587 hours remaining, 207.550781 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: 4380000 740.9845 2063.7256 1952.6243 106.5611 -206589.2693 17964.6945 0.0000 0.0000 34525.8038 -149234.8755 301.5224 -183760.6793 -149136.6696 300.2341 -35.2960 -6.5701 558873.6198 10.4660 10.2832 PRESSURE: 4380200 -218.604 -72.2771 -45.1254 -72.2765 276.457 85.059 -45.1254 85.061 51.9583 GPRESSURE: 4380200 -140.184 -13.8978 -102.536 -87.3143 322.928 65.4399 109.812 63.9301 18.4283 PRESSAVG: 4380200 -40.6737 0.405633 -5.40343 0.405593 42.8057 38.039 -5.40331 38.0389 -33.7021 GPRESSAVG: 4380200 -40.8971 0.715554 -7.3865 1.03618 42.6904 40.8244 -6.13866 37.5484 -33.3556 TIMING: 4380200 CPU: 13159.1, 0.00301576/step Wall: 13159.1, 0.00301576/step, 0.519214 hours remaining, 207.550781 MB of memory in use. ENERGY: 4380200 731.1612 2091.0242 1975.2726 121.2656 -206094.0533 17968.6054 0.0000 0.0000 34096.1088 -149110.6154 297.7698 -183206.7243 -149018.6054 299.1164 36.6037 67.0573 557799.5633 -10.5234 -10.5208 LDB: ============= START OF LOAD BALANCING ============== 13162.6 LDB: ============== END OF LOAD BALANCING =============== 13162.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13162.6 LDB: ============= START OF LOAD BALANCING ============== 13162.9 LDB: Largest compute 4820 load 0.021421 is 18.1% of average load 0.118214 LDB: Average compute 0.001737 is 1.5% of average load 0.118214 LDB: TIME 13162.9 LOAD: AVG 0.118214 MAX 0.215787 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.32 MB LDB: TIME 13162.9 LOAD: AVG 0.118214 MAX 0.215787 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.523 MB LDB: TIME 13162.9 LOAD: AVG 0.118214 MAX 0.215787 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.523 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13162.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13162.9 PRESSURE: 4380400 -94.5295 -116.75 90.8714 -116.748 -17.2463 -129.209 90.8725 -129.209 -178.236 GPRESSURE: 4380400 -115.235 -58.3647 71.9066 -70.6089 57.9835 -86.8618 58.8821 -148.369 -130.407 PRESSAVG: 4380400 -41.7322 -77.005 -19.57 -77.0049 56.2391 -20.7908 -19.5701 -20.7907 -3.35329 GPRESSAVG: 4380400 -41.6768 -76.3934 -19.4458 -78.1599 56.6396 -22.7071 -18.9286 -19.3503 -3.5218 TIMING: 4380400 CPU: 13159.7, 0.00310456/step Wall: 13159.7, 0.00310456/step, 0.534329 hours remaining, 208.382812 MB of memory in use. ENERGY: 4380400 759.6795 2111.1020 1956.3982 108.7585 -206086.1892 17786.6750 0.0000 0.0000 34304.8247 -149058.7513 299.5926 -183363.5760 -148968.9681 299.6986 -96.6707 -62.5529 557358.1386 3.7178 3.8137 PRESSURE: 4380600 -25.5096 4.18515 -63.0814 4.18597 -192.468 -167.992 -63.081 -167.99 43.2187 GPRESSURE: 4380600 44.8328 -49.52 -118.001 33.3811 -144.272 -238.649 1.13806 -58.4124 20.8877 PRESSAVG: 4380600 -23.8914 -3.79798 -58.5658 -3.7979 5.82561 -19.0245 -58.5658 -19.0245 20.6765 GPRESSAVG: 4380600 -23.8857 -4.14622 -56.8215 -3.1989 5.69073 -20.7959 -59.1822 -19.6188 20.2832 TIMING: 4380600 CPU: 13160.4, 0.00305834/step Wall: 13160.4, 0.00305834/step, 0.526204 hours remaining, 208.382812 MB of memory in use. ENERGY: 4380600 738.7953 2033.8200 1937.3291 128.0328 -206104.2963 17634.0018 0.0000 0.0000 34502.7208 -149129.5965 301.3208 -183632.3173 -149029.6058 299.5121 -58.2531 -26.1838 557109.0661 0.8702 0.6961 PRESSURE: 4380800 75.0118 8.64474 61.5542 8.64535 102.848 40.4492 61.554 40.4496 85.2144 GPRESSURE: 4380800 98.36 -66.2977 70.0903 -28.7669 147.841 45.0241 -8.3259 8.37324 98.7715 PRESSAVG: 4380800 19.658 25.3092 9.42548 25.3091 -76.1906 29.3819 9.4254 29.3818 32.7732 GPRESSAVG: 4380800 19.3459 26.603 8.78241 23.8771 -76.7392 30.7463 9.41452 29.6468 32.6879 TIMING: 4380800 CPU: 13161, 0.00302997/step Wall: 13161, 0.00302997/step, 0.521155 hours remaining, 208.382812 MB of memory in use. ENERGY: 4380800 719.7262 2079.5194 1928.3529 114.1259 -205706.4889 17688.1428 0.0000 0.0000 34077.2315 -149099.3901 297.6049 -183176.6216 -149006.9896 298.4760 87.6913 114.9907 558279.0190 -7.9198 -8.2351 PRESSURE: 4381000 7.52037 -73.4121 -78.9286 -73.4116 -127.45 25.8372 -78.9287 25.8366 -167.889 GPRESSURE: 4381000 -4.0473 -149.962 -114.782 -34.9812 -80.8973 -49.9986 -107.037 -14.2169 -114.762 PRESSAVG: 4381000 -23.7212 27.0224 -39.7237 27.0224 -65.0756 6.58523 -39.7238 6.58531 54.2104 GPRESSAVG: 4381000 -23.9816 28.116 -41.0021 27.2203 -65.2236 8.39909 -38.0249 6.43234 54.7522 TIMING: 4381000 CPU: 13161.6, 0.00303851/step Wall: 13161.6, 0.00303851/step, 0.522454 hours remaining, 208.382812 MB of memory in use. ENERGY: 4381000 704.6786 2080.7576 1923.3816 113.5291 -205951.6948 17668.9512 0.0000 0.0000 34308.6693 -149151.7273 299.6261 -183460.3966 -149050.9764 299.1506 -95.9396 -66.5689 557642.4253 -11.5288 -11.4843 PRESSURE: 4381200 188.043 -69.1057 206.501 -69.1052 160.076 -22.6731 206.501 -22.6719 297.78 GPRESSURE: 4381200 192.022 -95.047 217.448 96.383 154.594 -125.379 230.275 -1.73915 384.33 PRESSAVG: 4381200 0.716404 -12.7482 -72.1621 -12.7482 -22.5776 4.64582 -72.1621 4.64593 4.74178 GPRESSAVG: 4381200 1.01454 -14.3372 -71.844 -11.0252 -21.0184 2.32227 -72.739 4.50064 3.7234 TIMING: 4381200 CPU: 13162.2, 0.003031/step Wall: 13162.2, 0.003031/step, 0.520996 hours remaining, 208.382812 MB of memory in use. ENERGY: 4381200 713.0125 2096.9207 1959.9255 108.8304 -206146.3760 18056.1600 0.0000 0.0000 34108.5400 -149102.9870 297.8784 -183211.5270 -149010.4526 299.3874 215.2994 243.6489 557506.9968 -5.7065 -5.4268 PRESSURE: 4381400 70.8795 -100.909 -54.6462 -100.91 0.289592 82.3287 -54.6457 82.3276 211.964 GPRESSURE: 4381400 128.124 -168.173 -112.79 -25.3677 46.351 171.619 -32.9527 -48.3484 211.513 PRESSAVG: 4381400 44.2678 29.3989 30.7179 29.3988 8.2749 30.9648 30.718 30.9648 1.20223 GPRESSAVG: 4381400 44.4477 29.1494 29.3415 29.1091 6.74447 32.8666 31.3298 29.502 2.20189 TIMING: 4381400 CPU: 13162.8, 0.00302415/step Wall: 13162.8, 0.00302415/step, 0.51965 hours remaining, 208.382812 MB of memory in use. ENERGY: 4381400 714.7584 2021.2743 1953.2227 105.6653 -205963.4195 17847.0423 0.0000 0.0000 34181.4692 -149139.9874 298.5153 -183321.4566 -149040.5965 299.0190 94.3776 128.6626 558100.4713 17.9150 17.7980 PRESSURE: 4381600 85.0839 12.1185 116.758 12.1189 161.546 -18.701 116.758 -18.7012 281.512 GPRESSURE: 4381600 104.511 43.4257 230.383 -19.6998 222.704 -5.37212 78.6897 -23.1228 303.692 PRESSAVG: 4381600 -22.7004 -6.60532 6.33031 -6.60536 36.3518 -67.225 6.33034 -67.225 -23.9216 GPRESSAVG: 4381600 -21.9871 -5.08455 8.43032 -5.79449 36.1069 -65.7986 5.32995 -67.5487 -24.0917 TIMING: 4381600 CPU: 13163.4, 0.0030386/step Wall: 13163.4, 0.0030386/step, 0.521964 hours remaining, 208.382812 MB of memory in use. ENERGY: 4381600 762.1811 2076.8900 1909.6835 108.8341 -206514.7246 18146.8510 0.0000 0.0000 34284.1089 -149226.1760 299.4117 -183510.2849 -149133.3585 299.7784 176.0475 210.3026 556437.0879 -3.4234 -3.3240 PRESSURE: 4381800 -127.379 -239.631 172.427 -239.629 61.6918 -53.492 172.427 -53.4928 -268.347 GPRESSURE: 4381800 -75.612 -265.277 150.444 -280.926 91.9752 -55.8136 76.3846 -6.49523 -248.51 PRESSAVG: 4381800 5.15874 -13.2554 28.1385 -13.2554 49.743 -47.7799 28.1386 -47.7799 -26.3263 GPRESSAVG: 4381800 4.4736 -14.36 27.8902 -14.2469 50.6181 -50.7876 26.914 -46.3581 -26.5925 TIMING: 4381800 CPU: 13164, 0.00303405/step Wall: 13164, 0.00303405/step, 0.521014 hours remaining, 208.382812 MB of memory in use. ENERGY: 4381800 721.4067 2107.8936 1925.8461 111.3032 -206354.3707 17759.9156 0.0000 0.0000 34574.9921 -149153.0133 301.9520 -183728.0054 -149050.7804 299.9147 -111.3448 -77.3822 558597.3918 9.5251 9.4997 PRESSURE: 4382000 22.8344 -209.241 54.1998 -209.24 211.491 -9.32249 54.1992 -9.32188 93.2843 GPRESSURE: 4382000 91.8971 -193.502 48.7686 -154.985 208.845 37.1868 92.3129 -62.041 128.791 PRESSAVG: 4382000 21.342 -50.3939 94.6218 -50.3938 47.4655 -3.71637 94.6217 -3.71624 -31.9128 GPRESSAVG: 4382000 20.6098 -49.652 93.5659 -48.4294 48.4103 -2.46152 96.768 -2.79493 -31.7028 TIMING: 4382000 CPU: 13164.6, 0.00302902/step Wall: 13164.6, 0.00302902/step, 0.519983 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: 4382000 738.0025 2102.0634 1930.6073 107.1788 -206130.6032 17884.5073 0.0000 0.0000 34155.2780 -149212.9658 298.2865 -183368.2438 -149112.7160 299.9284 109.2033 143.1776 557009.7657 12.2982 12.4391 PRESSURE: 4382200 65.7221 76.6723 -126.695 76.6729 -81.2907 -39.9348 -126.696 -39.9349 85.1579 GPRESSURE: 4382200 108.05 102.924 -138.891 17.4482 -44.852 -77.3341 -141.813 -73.359 88.8466 PRESSAVG: 4382200 6.10789 -41.2445 -44.1924 -41.2445 -29.7947 -65.4649 -44.1923 -65.465 -4.92089 GPRESSAVG: 4382200 6.82313 -41.3523 -41.3959 -43.7723 -30.0123 -66.5504 -47.6797 -64.7851 -5.55326 TIMING: 4382200 CPU: 13165.2, 0.00302006/step Wall: 13165.2, 0.00302006/step, 0.518276 hours remaining, 208.382812 MB of memory in use. ENERGY: 4382200 769.5762 2053.8794 1930.1063 100.8246 -205760.9871 17650.0541 0.0000 0.0000 34258.3827 -148998.1638 299.1870 -183256.5464 -148906.5869 299.6637 23.1965 50.6816 556989.3428 -9.5359 -9.5808 PRESSURE: 4382400 -190.912 42.8771 25.3073 42.8782 -513.079 -7.94282 25.3077 -7.93982 -225.592 GPRESSURE: 4382400 -143.042 20.9537 32.2777 34.4484 -430.925 -42.7065 36.4337 119.923 -246.476 PRESSAVG: 4382400 22.5872 -2.21909 31.0899 -2.21906 -59.3798 62.1927 31.09 62.1927 36.2355 GPRESSAVG: 4382400 22.4125 -0.741966 29.2072 -2.21685 -59.4194 61.6628 32.9375 60.6484 36.5837 TIMING: 4382400 CPU: 13165.8, 0.00301888/step Wall: 13165.8, 0.00301888/step, 0.517906 hours remaining, 208.382812 MB of memory in use. ENERGY: 4382400 744.8513 2107.1984 1932.7987 108.7369 -205612.1442 17337.3328 0.0000 0.0000 34376.7755 -149004.4506 300.2209 -183381.2261 -148905.4607 299.6164 -309.8607 -273.4813 557904.9046 -0.1857 -0.1411 PRESSURE: 4382600 -44.9109 34.6599 266.826 34.6598 -29.6462 -55.9301 266.826 -55.9293 40.3038 GPRESSURE: 4382600 -53.4109 75.1371 312.502 76.305 39.2685 -54.7404 207.231 -94.9896 67.1829 PRESSAVG: 4382600 6.08419 4.70899 41.4458 4.70902 1.23959 -4.18456 41.4458 -4.18454 29.7432 GPRESSAVG: 4382600 6.61298 3.68322 41.6287 6.69314 -0.227655 -4.66466 41.3154 -3.30364 29.7963 TIMING: 4382600 CPU: 13166.4, 0.00301837/step Wall: 13166.4, 0.00301837/step, 0.51765 hours remaining, 208.382812 MB of memory in use. ENERGY: 4382600 758.7149 2090.5179 1952.7223 120.7384 -205982.6290 17786.7096 0.0000 0.0000 34132.2645 -149140.9615 298.0856 -183273.2260 -149049.3593 299.1226 -11.4178 17.6802 558496.7020 12.3556 12.0605 PRESSURE: 4382800 -181.298 34.857 -86.0868 34.8576 -29.2467 145.863 -86.0877 145.863 255.416 GPRESSURE: 4382800 -123.647 91.1406 -52.4539 15.3927 26.2887 93.5458 -35.2436 223.386 235.16 PRESSAVG: 4382800 -54.4498 -5.28739 1.21908 -5.28738 57.9045 -15.6858 1.21908 -15.6859 9.27018 GPRESSAVG: 4382800 -53.8648 -5.36449 0.985748 -5.53151 58.2492 -14.2805 1.26554 -16.1112 8.74365 TIMING: 4382800 CPU: 13167, 0.00301001/step Wall: 13167, 0.00301001/step, 0.516049 hours remaining, 208.382812 MB of memory in use. ENERGY: 4382800 701.3133 2119.4026 1943.9985 108.9352 -205904.9380 17731.2807 0.0000 0.0000 34124.3896 -149175.6181 298.0168 -183300.0077 -149070.9629 299.4542 14.9572 45.9341 558140.2085 4.2416 4.3760 PRESSURE: 4383000 284.577 -107.064 -123.4 -107.064 151.244 55.849 -123.4 55.85 111.706 GPRESSURE: 4383000 338.009 -110.14 -192.653 -108.966 184.466 125.474 -109.349 60.0846 106.206 PRESSAVG: 4383000 -46.5466 -77.002 -57.3233 -77.002 -24.9205 -27.7865 -57.3233 -27.7865 48.5848 GPRESSAVG: 4383000 -48.8709 -78.3563 -57.2986 -77.522 -24.1063 -26.5214 -57.2047 -28.2241 49.7583 TIMING: 4383000 CPU: 13167.6, 0.00306365/step Wall: 13167.6, 0.00306365/step, 0.525075 hours remaining, 208.382812 MB of memory in use. ENERGY: 4383000 738.2654 2094.6792 1955.8146 118.2298 -206257.0247 17970.7287 0.0000 0.0000 34261.3349 -149117.9721 299.2128 -183379.3070 -149019.6798 299.1514 182.5088 209.5605 556365.5913 -7.6275 -7.7396 PRESSURE: 4383200 421.112 -63.1222 -103.706 -63.1212 24.1758 -44.2455 -103.705 -44.2459 62.6324 GPRESSURE: 4383200 414.773 -52.2056 -206.075 -28.8563 31.42 -17.8136 -62.0601 -45.8322 150.95 PRESSAVG: 4383200 44.1466 78.9475 27.0216 78.9475 39.3721 64.1706 27.0216 64.1706 -72.016 GPRESSAVG: 4383200 43.9583 80.4821 27.216 78.7578 39.9929 64.6725 25.5481 63.8082 -72.4419 TIMING: 4383200 CPU: 13168.2, 0.00305369/step Wall: 13168.2, 0.00305369/step, 0.523199 hours remaining, 208.382812 MB of memory in use. ENERGY: 4383200 723.6915 2149.5016 1929.2902 113.6081 -206074.1899 17932.8359 0.0000 0.0000 34320.3377 -148904.9249 299.7280 -183225.2626 -148807.1032 299.5707 169.3069 199.0475 556767.6765 3.8342 3.8364 PRESSURE: 4383400 220.291 91.5031 56.342 91.5039 -153.99 -190.129 56.3417 -190.131 171.722 GPRESSURE: 4383400 213.27 153.776 83.1328 -7.697 -78.1096 -227.649 68.6832 -64.9668 190.552 PRESSAVG: 4383400 44.1695 -25.9339 -15.1206 -25.9339 -7.02943 -34.7016 -15.1206 -34.7016 -33.9231 GPRESSAVG: 4383400 45.8583 -25.8798 -13.3914 -26.4882 -8.97457 -36.2691 -13.8327 -32.9377 -33.2581 TIMING: 4383400 CPU: 13168.8, 0.00301972/step Wall: 13168.8, 0.00301972/step, 0.517212 hours remaining, 208.382812 MB of memory in use. ENERGY: 4383400 716.8112 2061.7239 1948.4384 109.5937 -206126.9247 17865.6559 0.0000 0.0000 34493.5409 -148931.1606 301.2407 -183424.7016 -148831.6183 300.2767 79.3410 108.5708 557406.8811 1.0723 1.2085 PRESSURE: 4383600 344.928 51.9302 28.8787 51.9292 74.2285 -259.621 28.8773 -259.62 243.842 GPRESSURE: 4383600 336.728 -0.382537 -34.5579 16.782 141.12 -238.11 49.3099 -165.569 281.409 PRESSAVG: 4383600 37.2517 -7.07959 11.792 -7.07966 -38.0122 -29.8685 11.792 -29.8684 35.9524 GPRESSAVG: 4383600 35.6773 -6.09662 11.1088 -8.80081 -37.072 -27.6942 10.5654 -34.7969 36.1384 TIMING: 4383600 CPU: 13169.4, 0.00301228/step Wall: 13169.4, 0.00301229/step, 0.51577 hours remaining, 208.382812 MB of memory in use. ENERGY: 4383600 767.8954 2087.5757 1947.7226 108.9828 -206151.0902 18003.5470 0.0000 0.0000 34231.6563 -149003.7105 298.9536 -183235.3667 -148906.7211 299.7613 220.9994 253.0855 556653.0521 11.7306 11.5813 PRESSURE: 4383800 -287.095 -72.1183 -60.0919 -72.119 -427.298 -36.2573 -60.0916 -36.2579 -160.905 GPRESSURE: 4383800 -229.646 -61.0304 -112.637 -132.202 -377.168 -99.6068 -8.10193 -65.668 -165.962 PRESSAVG: 4383800 16.0882 38.3875 -18.387 38.3875 -30.4543 -65.9615 -18.3869 -65.9616 11.8222 GPRESSAVG: 4383800 17.0083 35.9777 -17.6797 41.6839 -30.218 -67.4826 -17.7695 -62.247 11.1407 TIMING: 4383800 CPU: 13170, 0.00301867/step Wall: 13170, 0.00301867/step, 0.516696 hours remaining, 208.453125 MB of memory in use. ENERGY: 4383800 807.4147 2116.1833 1954.5600 122.1009 -205979.7864 17538.4243 0.0000 0.0000 34501.8672 -148939.2360 301.3134 -183441.1032 -148842.7890 299.8041 -291.7661 -257.5917 558757.2209 -0.8480 -0.6897 PRESSURE: 4384000 -25.9611 97.6613 -95.5679 97.6625 -55.844 -52.2599 -95.567 -52.2594 -26.9188 GPRESSURE: 4384000 29.3459 98.1804 -138.502 5.19438 -11.223 -128.508 27.9574 -15.2952 -23.8577 PRESSAVG: 4384000 55.9174 29.382 -31.7338 29.382 -40.3681 -9.37505 -31.7338 -9.37491 18.9762 GPRESSAVG: 4384000 55.628 29.4122 -32.8213 27.0911 -41.5126 -10.1508 -32.7955 -8.70445 20.157 TIMING: 4384000 CPU: 13170.7, 0.00303125/step Wall: 13170.7, 0.00303125/step, 0.51868 hours remaining, 208.652344 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: 4384000 767.9365 2102.4380 1962.1696 121.8526 -206221.3524 17895.5059 0.0000 0.0000 34197.6656 -149173.7842 298.6567 -183371.4498 -149072.1243 299.8512 -36.2413 -1.9116 558007.3617 11.5085 11.4241 PRESSURE: 4384200 76.7711 157.596 134.079 157.598 -8.01812 39.7009 134.078 39.7014 -108.4 GPRESSURE: 4384200 78.0488 163.082 107.299 80.5526 35.7518 95.2333 171.062 86.212 -65.0526 PRESSAVG: 4384200 -48.205 -42.3166 -36.8893 -42.3166 36.4951 -4.77361 -36.8893 -4.77366 10.8222 GPRESSAVG: 4384200 -48.8899 -41.3013 -36.198 -41.5892 37.8712 -5.46358 -36.4125 -4.87826 10.6093 TIMING: 4384200 CPU: 13171.3, 0.00302886/step Wall: 13171.3, 0.00302886/step, 0.518104 hours remaining, 208.652344 MB of memory in use. ENERGY: 4384200 753.8728 2076.6930 1957.1426 106.1883 -206120.9936 17733.3932 0.0000 0.0000 34307.3662 -149186.3375 299.6148 -183493.7036 -149084.7594 299.4510 -13.2156 16.2493 558322.7010 -0.2959 -0.1365 LDB: ============= START OF LOAD BALANCING ============== 13174.7 LDB: ============== END OF LOAD BALANCING =============== 13174.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13174.7 LDB: ============= START OF LOAD BALANCING ============== 13175 LDB: Largest compute 4820 load 0.022243 is 18.8% of average load 0.118150 LDB: Average compute 0.001732 is 1.5% of average load 0.118150 LDB: TIME 13175 LOAD: AVG 0.11815 MAX 0.218165 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.098 MB LDB: TIME 13175 LOAD: AVG 0.11815 MAX 0.218165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.102 MB LDB: TIME 13175 LOAD: AVG 0.11815 MAX 0.218165 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13175 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13175 PRESSURE: 4384400 -165.796 39.9469 68.8912 39.9453 -140.402 -131.334 68.8908 -131.333 50.7797 GPRESSURE: 4384400 -153.261 29.6415 108.72 -26.1838 -78.5531 -80.687 33.7058 -145.396 87.9582 PRESSAVG: 4384400 3.2769 -19.008 -23.8681 -19.008 -4.1765 -10.3971 -23.8681 -10.397 -5.36669 GPRESSAVG: 4384400 4.29656 -19.8228 -23.6032 -17.9259 -4.2545 -9.89958 -24.2311 -9.89713 -6.13957 TIMING: 4384400 CPU: 13171.9, 0.00310032/step Wall: 13171.9, 0.00310032/step, 0.530154 hours remaining, 207.355469 MB of memory in use. ENERGY: 4384400 735.3320 2061.7960 1972.5148 105.0531 -206210.9878 17850.1742 0.0000 0.0000 34216.2822 -149269.8356 298.8193 -183486.1177 -149172.2437 299.5080 -85.1394 -47.9519 558403.6152 -2.0888 -2.0325 PRESSURE: 4384600 -68.1943 -92.8209 -87.2845 -92.8207 184.236 5.75847 -87.2853 5.75921 32.1662 GPRESSURE: 4384600 -67.1158 -68.1586 -120.634 -85.9576 242.871 -4.43541 -78.6657 -11.1145 75.586 PRESSAVG: 4384600 -29.0918 35.2208 -34.1572 35.2207 3.87604 25.7829 -34.1574 25.783 14.0016 GPRESSAVG: 4384600 -29.8621 37.828 -35.1194 33.6897 3.27569 25.242 -32.2078 26.1233 15.2173 TIMING: 4384600 CPU: 13172.5, 0.00305198/step Wall: 13172.5, 0.00305198/step, 0.521718 hours remaining, 207.355469 MB of memory in use. ENERGY: 4384600 737.1122 2063.7886 1949.0648 140.9338 -206264.6047 17969.6804 0.0000 0.0000 34289.8904 -149114.1345 299.4621 -183404.0249 -149023.5774 299.5587 49.4025 83.7805 557814.1357 -3.7381 -3.7897 PRESSURE: 4384800 -144.396 3.00581 -38.9373 3.00637 -25.9016 102.706 -38.9362 102.706 -395.585 GPRESSURE: 4384800 -86.9414 18.4825 -79.6301 -7.37117 -18.901 39.7506 -18.0947 99.0016 -359.041 PRESSAVG: 4384800 -29.612 -1.25789 -4.92773 -1.25801 16.2786 -8.43376 -4.92776 -8.43354 -27.9223 GPRESSAVG: 4384800 -29.0918 -2.21666 -4.85243 0.532423 15.8373 -7.29793 -6.71021 -10.2631 -28.1623 TIMING: 4384800 CPU: 13173.1, 0.00301312/step Wall: 13173.1, 0.00301312/step, 0.514908 hours remaining, 207.355469 MB of memory in use. ENERGY: 4384800 774.0347 2101.2826 1936.9118 114.2453 -205729.7420 17460.8027 0.0000 0.0000 34392.2144 -148950.2506 300.3558 -183342.4650 -148850.5230 299.9221 -188.6276 -154.9610 558580.3574 -13.7519 -13.8056 PRESSURE: 4385000 29.2126 77.7207 -77.8844 77.72 -77.9321 80.4758 -77.8847 80.475 70.8617 GPRESSURE: 4385000 106.791 80.9606 -133.421 52.0528 -62.3605 61.9787 7.38904 94.8614 74.0736 PRESSAVG: 4385000 -22.6592 -8.91396 -22.8727 -8.91397 37.0444 26.8195 -22.8727 26.8194 -32.962 GPRESSAVG: 4385000 -22.2011 -6.50578 -24.2622 -10.8653 36.5918 26.25 -21.6092 26.298 -33.1064 TIMING: 4385000 CPU: 13173.7, 0.00303793/step Wall: 13173.7, 0.00303793/step, 0.518979 hours remaining, 207.355469 MB of memory in use. ENERGY: 4385000 736.8530 2106.5727 1943.5241 107.2046 -206134.9972 17780.5881 0.0000 0.0000 34465.0855 -148995.1692 300.9922 -183460.2547 -148895.5697 300.0966 7.3808 39.5015 556288.2456 -6.1923 -6.2386 PRESSURE: 4385200 -121.286 -72.6544 73.3827 -72.6541 -38.654 11.1275 73.3825 11.1276 25.1594 GPRESSURE: 4385200 -116.597 -141.138 119.324 16.4916 48.2049 -30.7558 97.8422 -7.31144 34.3619 PRESSAVG: 4385200 9.17992 16.7626 -20.1755 16.7626 24.626 49.7899 -20.1755 49.79 -4.84297 GPRESSAVG: 4385200 8.71959 12.356 -16.774 20.9791 24.6368 48.8848 -21.6813 51.2687 -3.92562 TIMING: 4385200 CPU: 13174.3, 0.00302689/step Wall: 13174.3, 0.00302689/step, 0.516925 hours remaining, 207.460938 MB of memory in use. ENERGY: 4385200 723.3178 2127.9069 1951.8337 124.4552 -205900.9719 17597.4449 0.0000 0.0000 34346.0407 -149029.9727 299.9525 -183376.0134 -148932.9005 300.0404 -44.9268 -11.3434 558620.4256 9.6543 9.8103 PRESSURE: 4385400 -160.365 -14.1031 269.86 -14.1025 -471.595 97.5415 269.858 97.5413 137.907 GPRESSURE: 4385400 -85.3727 -78.7864 274.688 0.995489 -491.033 170.246 285.174 2.5058 181.264 PRESSAVG: 4385400 -0.187076 5.02664 12.8931 5.02664 -31.1778 -7.67166 12.8931 -7.67166 47.5396 GPRESSAVG: 4385400 -0.904859 8.49062 13.3741 3.74098 -29.1089 -6.75621 12.3574 -7.76086 46.0273 TIMING: 4385400 CPU: 13174.9, 0.00305735/step Wall: 13174.9, 0.00305735/step, 0.521958 hours remaining, 207.460938 MB of memory in use. ENERGY: 4385400 779.7004 2111.6360 1968.5295 122.5776 -205680.5767 17419.3865 0.0000 0.0000 34542.3537 -148736.3931 301.6670 -183278.7468 -148638.6327 299.9950 -164.6839 -131.7141 558293.2608 5.3916 5.3378 PRESSURE: 4385600 295.531 -144.326 -11.7249 -144.327 202.035 80.4306 -11.7248 80.4311 335.211 GPRESSURE: 4385600 281.875 -141.545 7.11841 -33.7754 198.86 73.6912 -44.0842 153.116 444.551 PRESSAVG: 4385600 -34.8775 -48.4596 -6.69105 -48.4597 -11.0151 -14.0995 -6.69109 -14.0995 35.1646 GPRESSAVG: 4385600 -33.5846 -50.7234 -8.09215 -48.8771 -12.361 -14.9991 -7.09603 -13.3115 35.5049 TIMING: 4385600 CPU: 13175.5, 0.00305965/step Wall: 13175.5, 0.00305965/step, 0.52218 hours remaining, 207.460938 MB of memory in use. ENERGY: 4385600 722.1529 2063.7319 1948.1688 120.8307 -206397.6646 18134.6104 0.0000 0.0000 34546.5457 -148861.6242 301.7036 -183408.1699 -148768.5072 301.3466 277.5924 308.4286 556985.8927 -3.5760 -3.4802 PRESSURE: 4385800 170.122 96.1619 -10.7581 96.1623 28.5708 -24.6421 -10.7589 -24.6412 161.071 GPRESSURE: 4385800 174.594 53.8574 28.9172 154.183 89.3407 -37.8899 55.8685 -33.2869 195.614 PRESSAVG: 4385800 45.5552 12.7483 7.18127 12.7482 -2.08894 34.249 7.1812 34.249 -25.8941 GPRESSAVG: 4385800 44.5825 13.656 5.87232 12.0616 -1.22453 36.5898 8.33331 33.5726 -26.3362 TIMING: 4385800 CPU: 13176.1, 0.00299975/step Wall: 13176.1, 0.00299975/step, 0.511791 hours remaining, 207.460938 MB of memory in use. ENERGY: 4385800 777.1637 2049.6539 1991.7483 118.4691 -206603.0383 18162.2976 0.0000 0.0000 34540.4318 -148963.2739 301.6502 -183503.7057 -148859.1228 301.0045 119.9214 153.1832 558288.9157 5.8574 5.6739 PRESSURE: 4386000 -81.7894 11.9393 127.758 11.9394 -246.222 230.645 127.757 230.646 36.0904 GPRESSURE: 4386000 -57.9843 -32.9242 115.908 75.7231 -125.904 207.295 109.229 240.818 -3.41724 PRESSAVG: 4386000 24.4495 4.67268 2.60493 4.6728 -8.37702 4.87338 2.60492 4.87337 -24.753 GPRESSAVG: 4386000 25.5934 6.14248 3.2209 4.03576 -8.84437 3.86411 3.71278 4.24276 -25.0643 TIMING: 4386000 CPU: 13176.7, 0.00302157/step Wall: 13176.7, 0.00302157/step, 0.515345 hours remaining, 207.460938 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: 4386000 783.2899 2070.5244 1947.3286 106.8815 -206031.8970 17664.2945 0.0000 0.0000 34434.4498 -149025.1284 300.7246 -183459.5782 -148927.8022 300.0161 -97.3070 -62.4351 556983.9790 -2.8935 -2.7718 PRESSURE: 4386200 -278.398 87.3602 87.4066 87.3605 4.90834 49.7179 87.406 49.7173 -133.727 GPRESSURE: 4386200 -253.848 108.325 65.0563 38.03 -0.0673007 56.648 18.6275 7.82032 -62.9062 PRESSAVG: 4386200 9.60737 12.6384 -31.3882 12.6384 14.3865 4.57046 -31.3882 4.57042 -14.8307 GPRESSAVG: 4386200 8.12854 10.8444 -29.9397 13.903 13.9057 4.86616 -31.7865 4.87553 -12.4082 TIMING: 4386200 CPU: 13177.3, 0.00301567/step Wall: 13177.3, 0.00301567/step, 0.514172 hours remaining, 207.460938 MB of memory in use. ENERGY: 4386200 761.7383 2072.7148 1966.5193 109.9353 -205867.5317 17627.0478 0.0000 0.0000 34313.1910 -149016.3852 299.6656 -183329.5762 -148920.7236 299.9145 -135.7386 -105.6070 558137.3541 3.0544 3.2087 PRESSURE: 4386400 -82.7433 -70.3649 -41.8532 -70.3646 77.5087 -76.6506 -41.8534 -76.6505 55.2265 GPRESSURE: 4386400 -49.9578 -104.383 -36.4395 -30.3386 145.654 -116.244 -74.0747 2.2758 64.4799 PRESSAVG: 4386400 -74.7395 53.3118 1.0288 53.3118 21.3487 -42.7314 1.02895 -42.7315 31.0866 GPRESSAVG: 4386400 -74.5248 53.2306 1.04191 53.8817 22.3689 -42.0245 2.38455 -41.4293 30.0935 TIMING: 4386400 CPU: 13177.9, 0.00300223/step Wall: 13177.9, 0.00300223/step, 0.511714 hours remaining, 207.460938 MB of memory in use. ENERGY: 4386400 746.4464 2060.8706 1954.2660 102.3926 -205875.3207 17751.3957 0.0000 0.0000 34291.0175 -148968.9320 299.4720 -183259.9495 -148872.1938 300.1300 16.6640 53.3920 557939.6373 -7.4347 -7.3542 PRESSURE: 4386600 34.6696 -151.184 60.0366 -151.184 99.2584 101.276 60.037 101.276 19.9053 GPRESSURE: 4386600 66.2276 -144.342 14.3159 -144.289 85.1121 104.468 140.51 92.2251 87.7508 PRESSAVG: 4386600 -28.9722 -11.5164 6.87308 -11.5163 -45.3994 10.2617 6.87306 10.2617 55.4834 GPRESSAVG: 4386600 -28.1853 -9.59844 5.96071 -13.5894 -45.716 9.36678 5.55043 8.39798 54.7745 TIMING: 4386600 CPU: 13178.5, 0.00300669/step Wall: 13178.5, 0.00300669/step, 0.512306 hours remaining, 207.460938 MB of memory in use. ENERGY: 4386600 750.3464 2067.6121 1936.4065 108.6036 -205862.8125 17769.8903 0.0000 0.0000 34370.3661 -148859.5873 300.1650 -183229.9535 -148763.5863 299.8833 51.2778 79.6968 557327.9603 -6.2961 -6.3756 PRESSURE: 4386800 98.9397 -87.6379 151.871 -87.6373 3.09941 100.253 151.873 100.252 -248.813 GPRESSURE: 4386800 103.114 -57.1649 133.817 -95.8205 42.8104 16.8678 134.362 54.7115 -197.951 PRESSAVG: 4386800 -13.5961 -76.954 12.0807 -76.9539 -72.9804 -56.0741 12.0808 -56.0742 91.1125 GPRESSAVG: 4386800 -13.7561 -76.6063 12.5274 -75.6272 -73.5186 -56.1094 11.8698 -55.4779 91.6827 TIMING: 4386800 CPU: 13179.1, 0.00300886/step Wall: 13179.1, 0.00300886/step, 0.512509 hours remaining, 207.460938 MB of memory in use. ENERGY: 4386800 742.3499 2051.4895 1944.6172 116.1314 -205619.1658 17556.1220 0.0000 0.0000 34349.4170 -148859.0388 299.9820 -183208.4558 -148758.1725 300.7814 -48.9245 -17.3424 557268.4757 1.5120 1.4693 PRESSURE: 4387000 -204.402 19.9568 27.991 19.9569 -165.822 -36.6475 27.9915 -36.6491 253.658 GPRESSURE: 4387000 -198.357 -13.0472 60.5178 71.8257 -148.299 -20.0933 28.5033 -125.357 333.891 PRESSAVG: 4387000 -49.4997 -40.6911 35.78 -40.691 -32.4487 -25.0433 35.78 -25.0434 52.6138 GPRESSAVG: 4387000 -49.474 -42.8433 36.5546 -41.7153 -30.8138 -24.3292 35.189 -25.9655 51.3787 TIMING: 4387000 CPU: 13179.7, 0.00301491/step Wall: 13179.7, 0.00301491/step, 0.513373 hours remaining, 207.460938 MB of memory in use. ENERGY: 4387000 745.0856 2080.1823 1958.3022 101.3523 -205885.2725 17766.1940 0.0000 0.0000 34421.2353 -148812.9209 300.6092 -183234.1562 -148721.8887 300.3589 -38.8552 -4.2550 558363.3201 -9.7782 -9.6363 PRESSURE: 4387200 -111.04 20.951 -24.6745 20.9522 -105.503 -105.997 -24.6736 -105.997 -45.4554 GPRESSURE: 4387200 -106.011 44.3052 30.206 14.9981 -55.3944 -116.259 -24.8159 -65.0326 -7.9904 PRESSAVG: 4387200 -54.2559 -18.954 38.3979 -18.9541 -6.97885 -18.287 38.3979 -18.2869 17.9965 GPRESSAVG: 4387200 -54.3611 -16.526 37.2274 -20.2106 -7.92755 -18.1488 38.1113 -17.1029 18.6471 TIMING: 4387200 CPU: 13180.3, 0.00300704/step Wall: 13180.3, 0.00300704/step, 0.511865 hours remaining, 207.460938 MB of memory in use. ENERGY: 4387200 727.4444 2131.2211 1983.5135 115.7346 -205930.0749 17521.7882 0.0000 0.0000 34500.2464 -148950.1267 301.2992 -183450.3731 -148850.8473 300.5836 -87.3330 -56.4652 557041.2321 -14.4128 -14.5472 PRESSURE: 4387400 -115.593 -45.6006 -50.8858 -45.5997 -107.683 135.508 -50.8865 135.508 -175.223 GPRESSURE: 4387400 -129.05 -63.0346 -4.25629 16.748 -71.3772 156.392 -36.4147 65.2998 -110.881 PRESSAVG: 4387400 14.9085 -38.9745 56.2923 -38.9745 26.9806 1.42924 56.2924 1.42919 -7.62556 GPRESSAVG: 4387400 14.1619 -41.5052 55.7312 -36.6068 27.2285 2.9267 55.7124 0.167265 -7.66693 TIMING: 4387400 CPU: 13180.9, 0.00301433/step Wall: 13180.9, 0.00301433/step, 0.512938 hours remaining, 207.460938 MB of memory in use. ENERGY: 4387400 725.9895 2119.9907 1965.1179 111.6703 -205659.7827 17454.7153 0.0000 0.0000 34491.4740 -148790.8249 301.2226 -183282.2989 -148694.8458 300.3418 -132.8331 -103.7694 556980.6058 11.4212 11.2412 PRESSURE: 4387600 -18.8719 -79.9973 125.66 -79.9974 -124.17 -19.3257 125.66 -19.3266 -67.5347 GPRESSURE: 4387600 75.5781 -100.905 53.2213 -38.2645 -104.556 45.7446 145.866 30.0132 -76.819 PRESSAVG: 4387600 -3.86951 -55.4182 12.2573 -55.4183 29.6599 -0.726266 12.2574 -0.726292 26.732 GPRESSAVG: 4387600 -3.321 -56.458 13.2766 -54.3773 29.7105 -3.19464 13.1995 1.0492 26.7843 TIMING: 4387600 CPU: 13181.6, 0.00304365/step Wall: 13181.6, 0.00304365/step, 0.517759 hours remaining, 207.460938 MB of memory in use. ENERGY: 4387600 709.5779 2044.1099 1951.3580 105.7684 -205785.9231 17633.9269 0.0000 0.0000 34629.9190 -148711.2630 302.4317 -183341.1820 -148613.5785 300.8595 -70.1924 -35.2656 558485.1367 17.5075 17.7246 PRESSURE: 4387800 215.477 2.43261 157.84 2.4332 94.3728 65.2108 157.838 65.2104 -118.943 GPRESSURE: 4387800 300.75 41.2491 250.603 27.1358 100.739 67.1003 71.0885 42.6671 -122.231 PRESSAVG: 4387800 -5.39406 -54.1302 30.0103 -54.1302 26.1287 -94.5067 30.0102 -94.5068 23.6079 GPRESSAVG: 4387800 -5.37156 -52.0411 29.8307 -54.7187 26.115 -93.5319 29.2959 -94.1172 23.0963 TIMING: 4387800 CPU: 13182.2, 0.00305584/step Wall: 13182.2, 0.00305584/step, 0.519662 hours remaining, 207.460938 MB of memory in use. ENERGY: 4387800 705.1345 2076.8809 1957.9927 118.2964 -205524.6276 17774.1837 0.0000 0.0000 34202.0817 -148690.0577 298.6953 -182892.1394 -148593.8935 300.9455 63.6356 93.0860 558039.0704 14.7808 14.6132 PRESSURE: 4388000 133.772 52.7748 4.45278 52.7752 69.8471 -53.0015 4.45305 -53.0001 121.397 GPRESSURE: 4388000 175.583 58.0346 14.7969 16.8946 114.403 -82.188 28.446 -12.5466 130.299 PRESSAVG: 4388000 64.0389 4.29721 37.2332 4.29714 -40.3172 -16.238 37.2331 -16.2379 -61.0306 GPRESSAVG: 4388000 63.0671 3.31613 36.9967 2.48739 -39.3388 -16.0101 38.3464 -18.4191 -61.4385 TIMING: 4388000 CPU: 13182.8, 0.00300437/step Wall: 13182.8, 0.00300437/step, 0.510744 hours remaining, 207.460938 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: 4388000 747.4841 2108.1128 1925.4215 105.1843 -206067.2443 17997.1274 0.0000 0.0000 34498.4757 -148685.4385 301.2838 -183183.9142 -148594.0094 300.7484 108.3389 140.0951 557829.3281 -12.4363 -12.5701 PRESSURE: 4388200 356.424 -7.0218 -63.6806 -7.02133 70.0214 -113.102 -63.6801 -113.102 129.803 GPRESSURE: 4388200 361.485 -6.23682 -63.2594 -67.3945 93.4274 -140.579 -59.8578 -116.319 203.069 PRESSAVG: 4388200 -28.8796 25.7795 -3.52723 25.7796 56.4958 -10.6975 -3.52718 -10.6974 -8.8145 GPRESSAVG: 4388200 -27.4462 27.6448 -5.4235 24.6876 54.7677 -12.273 -1.35585 -10.7499 -8.00354 TIMING: 4388200 CPU: 13183.4, 0.0030359/step Wall: 13183.4, 0.0030359/step, 0.515935 hours remaining, 207.460938 MB of memory in use. ENERGY: 4388200 748.2455 2109.5771 1957.0293 112.4215 -206508.8502 18203.5498 0.0000 0.0000 34492.5555 -148885.4716 301.2321 -183378.0270 -148781.3580 300.2923 185.4162 219.3271 556433.0044 6.2672 6.4393 LDB: ============= START OF LOAD BALANCING ============== 13186.8 LDB: ============== END OF LOAD BALANCING =============== 13186.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13186.8 LDB: ============= START OF LOAD BALANCING ============== 13187.1 LDB: Largest compute 4820 load 0.022351 is 18.9% of average load 0.118098 LDB: Average compute 0.001731 is 1.5% of average load 0.118098 LDB: TIME 13187.1 LOAD: AVG 0.118098 MAX 0.216529 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.605 MB LDB: TIME 13187.1 LOAD: AVG 0.118098 MAX 0.216529 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.809 MB LDB: TIME 13187.1 LOAD: AVG 0.118098 MAX 0.216529 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.809 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13187.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13187.1 PRESSURE: 4388400 0.284224 -243.739 -8.29504 -243.738 282.288 -100.57 -8.29494 -100.57 168.586 GPRESSURE: 4388400 24.7498 -230.014 -46.6126 -153.852 309.186 -141.165 19.255 -46.6594 219.742 PRESSAVG: 4388400 33.9183 -67.3549 -11.3907 -67.3548 -1.44759 -28.8981 -11.3907 -28.898 -12.5282 GPRESSAVG: 4388400 32.8008 -69.0666 -11.4683 -65.7516 -0.688297 -28.3561 -14.8388 -27.4176 -12.4796 TIMING: 4388400 CPU: 13184, 0.00311198/step Wall: 13184, 0.00311198/step, 0.528691 hours remaining, 206.890625 MB of memory in use. ENERGY: 4388400 748.9708 2076.7911 1964.3510 114.6993 -205927.8387 17834.7404 0.0000 0.0000 34440.9215 -148747.3646 300.7811 -183188.2860 -148652.4716 300.1260 150.3861 184.5594 556865.0191 6.6475 6.5443 PRESSURE: 4388600 223.387 -97.2915 -89.6392 -97.2914 214.086 -258.272 -89.6394 -258.272 136.927 GPRESSURE: 4388600 226.995 -6.86314 -81.0872 -108.989 284.242 -327.832 -87.4328 -194.91 157.246 PRESSAVG: 4388600 -50.5221 -31.7492 -32.5758 -31.7493 19.0903 -44.2368 -32.5759 -44.2368 -10.0864 GPRESSAVG: 4388600 -51.1604 -31.6734 -31.0633 -29.8241 19.299 -43.2028 -32.8143 -43.111 -9.3871 TIMING: 4388600 CPU: 13184.6, 0.00304559/step Wall: 13184.6, 0.00304559/step, 0.517243 hours remaining, 206.890625 MB of memory in use. ENERGY: 4388600 727.1508 2104.5651 1923.4700 106.1490 -206329.6708 17966.3459 0.0000 0.0000 34674.6096 -148827.3803 302.8220 -183501.9899 -148733.3320 301.0701 191.4666 222.8275 555907.5715 -13.8394 -13.7495 PRESSURE: 4388800 62.3857 105.409 15.5388 105.41 24.5736 -96.5026 15.5401 -96.5037 8.11339 GPRESSURE: 4388800 118.087 91.6749 67.0096 111.867 35.7195 -34.5032 49.3883 -56.6493 28.2448 PRESSAVG: 4388800 -23.043 27.1367 -4.51372 27.1366 56.6881 -3.80474 -4.51359 -3.80466 -85.2375 GPRESSAVG: 4388800 -23.0018 27.9679 -4.13857 24.9908 57.23 -4.80315 -6.04148 -4.62066 -86.5459 TIMING: 4388800 CPU: 13185.2, 0.00301257/step Wall: 13185.2, 0.00301257/step, 0.511467 hours remaining, 206.890625 MB of memory in use. ENERGY: 4388800 749.2237 2104.9953 1970.5866 121.5839 -205884.5645 17655.4240 0.0000 0.0000 34452.5191 -148830.2320 300.8824 -183282.7510 -148740.2337 300.9925 31.6909 60.6838 559184.3409 -17.1975 -17.4392 PRESSURE: 4389000 145.046 99.9111 -205.881 99.91 -45.2529 57.6112 -205.881 57.6113 1.21134 GPRESSURE: 4389000 149.837 126.758 -200.794 51.4527 -5.35734 -25.0522 -136.258 184.492 47.7675 PRESSAVG: 4389000 25.6542 40.2706 -22.951 40.2706 33.2578 28.3029 -22.9509 28.303 -12.656 GPRESSAVG: 4389000 25.553 39.8955 -22.8235 40.3203 33.179 28.6712 -21.2566 27.2795 -11.8651 TIMING: 4389000 CPU: 13185.8, 0.00304446/step Wall: 13185.8, 0.00304446/step, 0.516712 hours remaining, 206.890625 MB of memory in use. ENERGY: 4389000 761.0105 2104.3007 1919.4677 122.3248 -205589.0570 17697.9370 0.0000 0.0000 34398.3315 -148585.6849 300.4092 -182984.0164 -148486.9126 300.2300 33.6682 64.0825 559186.3450 15.4186 15.6223 PRESSURE: 4389200 26.0529 -79.7085 -55.2618 -79.7083 56.5566 -12.5959 -55.2602 -12.5948 244.999 GPRESSURE: 4389200 35.9278 -30.8242 -7.51824 -64.3005 116.468 -42.8797 -45.2062 -15.2949 271.283 PRESSAVG: 4389200 -43.0611 38.8698 -27.0167 38.8698 0.802084 -10.8981 -27.0167 -10.8981 45.6987 GPRESSAVG: 4389200 -42.1137 38.0071 -28.0097 39.4169 -0.521046 -10.3311 -26.2038 -12.3681 46.146 TIMING: 4389200 CPU: 13186.4, 0.00300744/step Wall: 13186.4, 0.00300744/step, 0.510263 hours remaining, 206.890625 MB of memory in use. ENERGY: 4389200 725.1838 2108.3526 1987.3623 116.7516 -205629.0313 17696.5248 0.0000 0.0000 34409.3345 -148585.5217 300.5053 -182994.8562 -148487.8119 300.8607 109.2027 141.2262 557192.1369 1.1465 1.1704 PRESSURE: 4389400 108.913 50.8344 -168.81 50.8347 -245.817 -110.376 -168.809 -110.375 95.5121 GPRESSURE: 4389400 69.3901 46.0304 -195.283 108.614 -172.562 -80.2852 -107.825 -90.6449 159.616 PRESSAVG: 4389400 -16.6592 -39.1794 21.8552 -39.1793 -18.2171 -27.6174 21.8552 -27.6173 56.8389 GPRESSAVG: 4389400 -17.8587 -39.1468 22.5767 -39.0942 -18.0274 -27.174 21.1385 -27.1316 57.8692 TIMING: 4389400 CPU: 13187, 0.00303013/step Wall: 13187, 0.00303013/step, 0.513944 hours remaining, 206.890625 MB of memory in use. ENERGY: 4389400 772.0838 2110.0042 1953.5767 113.9857 -205912.6053 17734.8589 0.0000 0.0000 34547.4580 -148680.6381 301.7115 -183228.0961 -148585.9348 300.4493 -13.7974 18.8145 559026.9691 7.3209 7.3277 PRESSURE: 4389600 -98.4933 -84.464 -91.08 -84.4647 64.1647 -156.532 -91.0799 -156.532 325.624 GPRESSURE: 4389600 -70.3884 -46.3512 -138.161 -53.741 68.2611 -235.929 -40.0192 -174.288 384.168 PRESSAVG: 4389600 -32.8279 2.87738 -9.08637 2.8774 -26.9692 -23.4914 -9.08639 -23.4913 68.9609 GPRESSAVG: 4389600 -31.4958 3.63533 -9.31299 3.30464 -26.6136 -22.9191 -8.80253 -22.4777 67.2646 TIMING: 4389600 CPU: 13187.6, 0.00304748/step Wall: 13187.6, 0.00304748/step, 0.516718 hours remaining, 206.890625 MB of memory in use. ENERGY: 4389600 726.6838 2066.8146 1963.4258 115.2885 -206272.3166 17919.0592 0.0000 0.0000 34572.2181 -148908.8266 301.9278 -183481.0447 -148815.6277 300.0956 97.0986 127.3470 557977.6505 3.0546 3.0517 PRESSURE: 4389800 -24.9247 110.63 18.3658 110.631 83.1288 -67.192 18.3664 -67.191 164.359 GPRESSURE: 4389800 18.7531 79.5023 -20.9102 168.622 112.701 -29.4467 102.896 -89.6015 185.262 PRESSAVG: 4389800 -14.2234 38.0741 -56.7199 38.0741 6.34968 -22.7632 -56.7198 -22.7632 21.2016 GPRESSAVG: 4389800 -14.7622 39.4311 -56.8261 35.7356 6.90304 -22.0659 -57.3855 -24.0607 21.0947 TIMING: 4389800 CPU: 13188.3, 0.00307928/step Wall: 13188.3, 0.00307928/step, 0.521938 hours remaining, 206.890625 MB of memory in use. ENERGY: 4389800 776.7674 2096.6356 1962.2057 120.1812 -206376.6932 18109.3631 0.0000 0.0000 34369.1913 -148942.3489 300.1547 -183311.5402 -148850.1097 300.4163 74.1877 105.5722 558742.0538 4.4426 4.4119 PRESSURE: 4390000 -95.712 14.9096 116.738 14.9109 187.841 -133.804 116.739 -133.802 -333.238 GPRESSURE: 4390000 -91.3473 -10.7441 73.198 26.2773 190.074 -142.023 59.5103 -144.341 -246.287 PRESSAVG: 4390000 -100.6 -28.4171 9.86511 -28.4171 29.366 -27.1532 9.86515 -27.1533 50.1257 GPRESSAVG: 4390000 -99.0882 -29.1833 9.64418 -28.9972 27.6705 -30.2734 10.3375 -25.7336 50.4377 TIMING: 4390000 CPU: 13188.9, 0.00307332/step Wall: 13188.9, 0.00307332/step, 0.520757 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: 4390000 758.7898 2056.0284 1968.4156 125.2697 -206263.3368 17845.9103 0.0000 0.0000 34398.3990 -149110.5240 300.4098 -183508.9230 -149017.2586 299.8181 -80.3698 -49.1867 559017.9751 -7.0361 -6.9933 PRESSURE: 4390200 -108.231 53.0547 -81.9169 53.0546 0.805834 99.5107 -81.917 99.5098 -105.931 GPRESSURE: 4390200 -83.905 60.8886 -117.833 9.72621 35.3226 85.6225 -178.906 112.709 -67.4468 PRESSAVG: 4390200 -12.0808 21.8188 -27.1999 21.8188 -12.8173 5.44066 -27.1999 5.44063 9.20049 GPRESSAVG: 4390200 -13.0884 23.4311 -25.5429 23.8671 -11.2831 6.0191 -28.1171 5.93853 8.71626 TIMING: 4390200 CPU: 13189.5, 0.00306199/step Wall: 13189.5, 0.00306199/step, 0.518666 hours remaining, 206.890625 MB of memory in use. ENERGY: 4390200 761.9876 2140.2585 1959.4617 114.8825 -206154.2276 17765.7000 0.0000 0.0000 34235.7608 -149176.1765 298.9894 -183411.9373 -149088.7121 298.9521 -71.1188 -38.6764 557967.5878 -5.2325 -5.2184 PRESSURE: 4390400 -28.9507 -24.423 -187.822 -24.4227 79.2971 -125.821 -187.821 -125.821 -320.748 GPRESSURE: 4390400 -10.4724 -71.5581 -73.416 -34.551 46.0394 -137.116 -189.142 -58.7801 -209.214 PRESSAVG: 4390400 -43.9439 6.74269 -22.8689 6.74259 -7.37581 5.69501 -22.8689 5.69501 71.6216 GPRESSAVG: 4390400 -44.7852 6.80244 -24.9529 4.25494 -7.93153 5.64856 -22.8541 5.96049 73.0221 TIMING: 4390400 CPU: 13190.1, 0.00304761/step Wall: 13190.1, 0.00304761/step, 0.516063 hours remaining, 206.890625 MB of memory in use. ENERGY: 4390400 741.7749 2063.7496 1951.5749 111.6540 -206400.1399 17766.4770 0.0000 0.0000 34536.3497 -149228.5598 301.6145 -183764.9095 -149126.5200 299.8117 -90.1338 -57.8823 557672.9638 6.7673 6.7684 PRESSURE: 4390600 304.058 -100.3 76.8454 -100.3 174.249 -8.69399 76.8444 -8.69418 88.9517 GPRESSURE: 4390600 278.759 -116.565 85.6033 -73.6223 260.59 -134.455 110.355 82.13 112.781 PRESSAVG: 4390600 8.16629 -2.03552 27.9594 -2.03549 35.7226 9.88974 27.9594 9.88981 -25.581 GPRESSAVG: 4390600 8.52358 -3.59082 30.0589 -0.886363 34.4933 10.9535 27.8075 9.18818 -25.0376 TIMING: 4390600 CPU: 13190.7, 0.00303274/step Wall: 13190.7, 0.00303274/step, 0.513376 hours remaining, 206.890625 MB of memory in use. ENERGY: 4390600 754.9230 2099.9583 1933.5400 112.3209 -206348.7161 17897.3897 0.0000 0.0000 34239.4668 -149311.1173 299.0218 -183550.5841 -149210.8435 299.1102 189.0863 217.3771 556730.6282 6.1026 5.9931 PRESSURE: 4390800 -333.793 28.6431 89.5527 28.6429 -347.449 -107.118 89.5522 -107.12 -223.199 GPRESSURE: 4390800 -326.059 -0.225989 73.7014 -48.4895 -300.62 -86.0405 172.428 -96.2269 -175.181 PRESSAVG: 4390800 6.0013 -7.53493 -8.42736 -7.53485 13.8844 -40.2007 -8.42743 -40.2007 -39.7589 GPRESSAVG: 4390800 5.01177 -7.06838 -9.21461 -8.20478 16.2842 -41.8496 -8.57065 -40.8299 -41.0555 TIMING: 4390800 CPU: 13191.3, 0.00307101/step Wall: 13191.3, 0.00307101/step, 0.519683 hours remaining, 206.890625 MB of memory in use. ENERGY: 4390800 766.1912 2031.2050 1940.8976 108.4675 -206091.0762 17439.3629 0.0000 0.0000 34513.8515 -149291.1006 301.4180 -183804.9521 -149187.4164 298.7457 -301.4802 -267.2868 557606.1180 -6.6244 -6.5865 PRESSURE: 4391000 -295.531 61.5312 -14.4459 61.5305 -235.3 -166.249 -14.4464 -166.248 -134.251 GPRESSURE: 4391000 -258.208 45.6753 12.4257 45.519 -202.893 -164.099 -6.58716 -216.36 -110.249 PRESSAVG: 4391000 71.6152 1.36961 23.1711 1.36954 1.26286 -40.9393 23.171 -40.9392 -3.86482 GPRESSAVG: 4391000 71.8564 -0.927 20.2807 3.12458 0.38896 -40.2227 24.9462 -42.2301 -3.60473 TIMING: 4391000 CPU: 13191.9, 0.0030484/step Wall: 13191.9, 0.0030484/step, 0.515688 hours remaining, 206.890625 MB of memory in use. ENERGY: 4391000 743.7793 2100.6050 1965.1934 121.9552 -206307.7045 17496.5264 0.0000 0.0000 34502.1818 -149377.4635 301.3161 -183879.6453 -149278.3512 299.2421 -221.6938 -190.4501 558654.9139 23.0044 22.8802 PRESSURE: 4391200 -5.3811 -61.6544 43.5976 -61.6533 -53.722 -116.284 43.597 -116.282 -242.884 GPRESSURE: 4391200 46.9699 0.146461 56.3509 -103.936 5.36677 -171.138 21.3804 -100.535 -268.785 PRESSAVG: 4391200 9.45851 15.064 26.5912 15.064 -36.1254 -11.3772 26.5912 -11.3771 34.7266 GPRESSAVG: 4391200 10.2931 16.5501 28.2747 13.515 -36.268 -11.1444 25.7576 -11.0106 33.9558 TIMING: 4391200 CPU: 13192.5, 0.00306036/step Wall: 13192.5, 0.00306036/step, 0.51754 hours remaining, 206.890625 MB of memory in use. ENERGY: 4391200 743.3431 2182.6612 1953.5661 119.2280 -206200.4113 17593.3124 0.0000 0.0000 34170.8954 -149437.4051 298.4229 -183608.3005 -149342.4889 298.2503 -100.6622 -72.1495 558008.7625 2.6866 2.6603 PRESSURE: 4391400 36.9921 79.984 -77.8564 79.9851 150.544 -22.8367 -77.8561 -22.8372 -99.6772 GPRESSURE: 4391400 75.1317 82.1514 -32.0812 122.542 186.023 -53.4607 -96.3922 -15.975 -89.9181 PRESSAVG: 4391400 28.4591 35.125 1.18388 35.1249 -48.7534 -3.31766 1.18388 -3.31774 26.2973 GPRESSAVG: 4391400 27.8008 34.9117 2.11548 37.4663 -47.8997 -4.82548 -1.50958 -3.92478 26.3295 TIMING: 4391400 CPU: 13193.1, 0.00301692/step Wall: 13193.1, 0.00301692/step, 0.510027 hours remaining, 206.890625 MB of memory in use. ENERGY: 4391400 743.5014 2154.9299 1969.2281 126.4887 -206560.2866 17981.9456 0.0000 0.0000 33956.1928 -149628.0001 296.5479 -183584.1929 -149536.0881 297.8931 29.2862 57.0789 557432.4681 2.0010 2.0769 PRESSURE: 4391600 -65.9865 -118.296 162.538 -118.295 -130.165 -5.76442 162.538 -5.76207 -282.483 GPRESSURE: 4391600 -0.340433 -150.097 111.638 -135.706 -143.076 -57.9109 123.936 37.012 -229.694 PRESSAVG: 4391600 9.63459 -12.0768 -36.9916 -12.0769 5.10696 -4.30612 -36.9917 -4.30612 -49.022 GPRESSAVG: 4391600 9.64443 -11.797 -38.1155 -12.6533 4.28287 -1.77835 -34.8025 -4.19279 -48.2398 TIMING: 4391600 CPU: 13193.7, 0.00306888/step Wall: 13193.7, 0.00306888/step, 0.518641 hours remaining, 206.890625 MB of memory in use. ENERGY: 4391600 733.4012 2127.0646 1967.6515 115.6138 -206165.0102 17573.2263 0.0000 0.0000 34114.6094 -149533.4433 297.9314 -183648.0528 -149436.6334 297.8902 -159.5448 -124.3701 558429.9644 -11.4268 -11.4375 PRESSURE: 4391800 37.1241 -59.3356 -43.98 -59.3364 16.7562 -44.4988 -43.9815 -44.4968 100.096 GPRESSURE: 4391800 43.8425 -93.1762 -54.6815 -64.3173 81.3381 71.9244 -17.3188 -14.067 129.378 PRESSAVG: 4391800 55.1944 -34.2622 -9.28547 -34.2621 47.2559 47.1911 -9.28549 47.1912 -81.0705 GPRESSAVG: 4391800 56.4031 -33.3111 -7.79962 -35.0187 45.9531 45.2186 -9.29335 49.6008 -80.7458 TIMING: 4391800 CPU: 13194.4, 0.00307033/step Wall: 13194.4, 0.00307033/step, 0.518716 hours remaining, 206.890625 MB of memory in use. ENERGY: 4391800 727.4626 2081.8007 1937.4791 124.9204 -206697.1698 17743.6704 0.0000 0.0000 34321.1951 -149760.6414 299.7355 -184081.8366 -149660.4696 298.6369 51.3253 84.8529 555160.8130 7.1266 7.2035 PRESSURE: 4392000 161.251 43.4669 -90.1922 43.4662 -65.9218 -43.0417 -90.1905 -43.0406 -87.863 GPRESSURE: 4392000 184.118 99.7169 -68.7788 39.3849 -64.1871 -24.2835 -85.4329 -142.173 -22.2416 PRESSAVG: 4392000 5.29252 13.0079 -22.2948 13.0078 -37.51 -0.916324 -22.2948 -0.91636 26.3182 GPRESSAVG: 4392000 4.79058 11.0284 -21.7258 14.9979 -36.8788 0.309225 -23.2481 -3.57015 26.3275 TIMING: 4392000 CPU: 13195, 0.00308096/step Wall: 13195, 0.00308096/step, 0.520341 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: 4392000 722.2614 2078.6709 1950.4382 107.0167 -206469.7536 17725.7665 0.0000 0.0000 34152.7261 -149732.8738 298.2643 -183885.6000 -149627.7205 297.7825 2.4887 32.5632 554893.8697 -1.9664 -1.9203 PRESSURE: 4392200 -328.001 -139.785 -114.597 -139.785 -71.3401 -86.7555 -114.597 -86.7554 -146.783 GPRESSURE: 4392200 -285.987 -128.805 -57.1056 -77.6347 -52.4996 -138.932 -141.047 -51.7118 -114.408 PRESSAVG: 4392200 -10.0309 -5.92215 -8.5712 -5.92211 17.0574 -7.25087 -8.57117 -7.25107 17.4774 GPRESSAVG: 4392200 -9.87061 -3.28259 -9.92457 -7.78867 18.0835 -8.56064 -6.46401 -4.3132 16.1959 TIMING: 4392200 CPU: 13195.6, 0.00305849/step Wall: 13195.6, 0.00305849/step, 0.516374 hours remaining, 206.890625 MB of memory in use. ENERGY: 4392200 758.9879 2120.5458 1913.4444 114.8920 -206085.2253 17603.8786 0.0000 0.0000 33975.3260 -149598.1506 296.7150 -183573.4766 -149496.0697 298.0735 -182.0413 -150.9652 556902.5049 8.1680 8.1363 LDB: ============= START OF LOAD BALANCING ============== 13199 LDB: ============== END OF LOAD BALANCING =============== 13199 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13199 LDB: ============= START OF LOAD BALANCING ============== 13199.3 LDB: Largest compute 4820 load 0.024215 is 20.5% of average load 0.118075 LDB: Average compute 0.001734 is 1.5% of average load 0.118075 LDB: TIME 13199.3 LOAD: AVG 0.118075 MAX 0.219988 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.434 MB LDB: TIME 13199.3 LOAD: AVG 0.118075 MAX 0.219988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.637 MB LDB: TIME 13199.3 LOAD: AVG 0.118075 MAX 0.219988 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13199.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13199.3 PRESSURE: 4392400 -111.052 20.958 43.6048 20.9576 -271.95 95.8475 43.6047 95.8476 164.317 GPRESSURE: 4392400 -75.7258 122.197 24.9676 -96.0228 -212.875 135.087 3.92653 18.838 176.168 PRESSAVG: 4392400 -40.8579 -27.4922 12.4278 -27.4922 -40.4259 74.6051 12.4278 74.6051 53.7876 GPRESSAVG: 4392400 -41.4233 -27.5672 14.1646 -27.2018 -40.7866 76.5415 10.4273 72.9437 54.6621 TIMING: 4392400 CPU: 13196.2, 0.0031203/step Wall: 13196.2, 0.0031203/step, 0.526638 hours remaining, 208.359375 MB of memory in use. ENERGY: 4392400 735.7547 2120.0202 1934.6124 105.9907 -206285.3124 17656.1661 0.0000 0.0000 34031.2053 -149701.5629 297.2030 -183732.7682 -149607.5651 297.8120 -72.8953 -37.4776 557840.3737 -9.1654 -9.1826 PRESSURE: 4392600 391.238 -12.0954 152.196 -12.0945 143.692 -12.3209 152.196 -12.3217 -140.888 GPRESSURE: 4392600 392.306 -54.6599 178.002 62.5976 211.037 -45.3321 123.812 -5.29357 -87.9495 PRESSAVG: 4392600 9.91288 -41.8214 79.8103 -41.8214 15.0437 15.5574 79.8102 15.5574 -7.71658 GPRESSAVG: 4392600 9.98332 -42.0474 79.255 -44.0567 14.812 15.6736 81.5205 17.4588 -7.33285 TIMING: 4392600 CPU: 13196.8, 0.00305393/step Wall: 13196.8, 0.00305393/step, 0.515265 hours remaining, 208.359375 MB of memory in use. ENERGY: 4392600 715.4323 2129.3647 1943.4794 111.6027 -206632.2267 18035.5931 0.0000 0.0000 34170.6409 -149526.1136 298.4207 -183696.7545 -149429.0485 298.1647 131.3472 171.7979 555412.0073 5.7467 5.8208 PRESSURE: 4392800 -56.7434 104.125 11.6565 104.125 153.827 -73.8701 11.6557 -73.8694 76.3873 GPRESSURE: 4392800 -67.4112 90.6122 -4.29667 219.282 195.702 -93.0788 16.8777 -106.176 149.679 PRESSAVG: 4392800 3.01187 26.2969 -9.8602 26.2968 73.0908 8.20165 -9.86012 8.20162 -65.4259 GPRESSAVG: 4392800 2.52419 26.8378 -8.82353 28.2038 73.4236 8.21112 -13.7231 7.77277 -65.3744 TIMING: 4392800 CPU: 13197.4, 0.00302241/step Wall: 13197.4, 0.00302241/step, 0.509779 hours remaining, 208.359375 MB of memory in use. ENERGY: 4392800 730.2788 2119.9869 1950.3953 110.6855 -206351.7321 17793.1894 0.0000 0.0000 34349.0439 -149298.1524 299.9787 -183647.1963 -149199.4986 298.9547 57.8236 92.6564 557300.0217 3.5589 3.5245 PRESSURE: 4393000 -100.335 8.69827 55.4956 8.69898 -170.016 63.8814 55.4952 63.8804 -11.954 GPRESSURE: 4393000 -136.53 -76.3072 -13.7714 48.7458 -104.488 51.0206 94.5385 32.7543 47.9084 PRESSAVG: 4393000 39.0852 31.6685 -13.089 31.6685 -43.285 -43.8715 -13.0891 -43.8714 15.987 GPRESSAVG: 4393000 40.3242 31.2463 -15.0235 30.2212 -42.8504 -44.1049 -9.67947 -44.3765 14.2545 TIMING: 4393000 CPU: 13198, 0.00299982/step Wall: 13198, 0.00299982/step, 0.505804 hours remaining, 208.359375 MB of memory in use. ENERGY: 4393000 763.4297 2050.8797 1923.9779 121.5097 -206367.8638 17763.6353 0.0000 0.0000 34457.3105 -149287.1210 300.9243 -183744.4315 -149187.9165 299.5332 -94.1018 -64.3698 557133.7292 3.9291 3.9094 PRESSURE: 4393200 -44.9491 105.204 75.7223 105.203 -265.844 181.14 75.7203 181.138 -71.2237 GPRESSURE: 4393200 -20.9922 216.5 65.7118 50.9106 -219.404 66.8176 89.8625 194.058 -39.8198 PRESSAVG: 4393200 36.1119 -13.5158 72.248 -13.5158 -58.9562 -25.4924 72.248 -25.4925 0.403188 GPRESSAVG: 4393200 36.233 -13.897 72.7982 -13.3331 -60.1798 -25.4714 73.2342 -25.4918 1.10956 TIMING: 4393200 CPU: 13198.6, 0.00302125/step Wall: 13198.6, 0.00302125/step, 0.509248 hours remaining, 208.359375 MB of memory in use. ENERGY: 4393200 766.6058 2161.1857 1920.4343 111.8971 -206033.1161 17730.0852 0.0000 0.0000 34139.5603 -149203.3477 298.1493 -183342.9080 -149103.8903 299.4307 -127.3391 -93.4054 558755.1133 -7.4804 -7.6124 PRESSURE: 4393400 150.891 171.174 -51.5699 171.176 81.6004 -150.472 -51.5689 -150.47 230.037 GPRESSURE: 4393400 205.212 77.6237 -40.1597 249.115 82.668 -150.468 -26.7134 -124.321 276.49 PRESSAVG: 4393400 40.7421 32.7879 16.9119 32.7878 -36.8315 -66.4862 16.9119 -66.4861 -2.15491 GPRESSAVG: 4393400 40.7916 33.455 16.6342 33.0338 -36.6987 -66.1817 16.3927 -68.1894 -2.63582 TIMING: 4393400 CPU: 13199.2, 0.00303128/step Wall: 13199.2, 0.00303128/step, 0.51077 hours remaining, 208.359375 MB of memory in use. ENERGY: 4393400 742.2758 2107.9624 1943.7236 128.9507 -206430.2785 18106.2707 0.0000 0.0000 34235.3263 -149165.7690 298.9856 -183401.0954 -149071.6004 299.2502 154.1758 188.1235 558980.6893 0.5852 0.4857 PRESSURE: 4393600 198.864 -6.92801 10.0283 -6.9279 -29.2342 -44.592 10.029 -44.5929 116.109 GPRESSURE: 4393600 259.848 35.7625 68.4597 -56.2201 -27.3073 -15.2471 -36.2262 -70.7939 147.332 PRESSAVG: 4393600 36.2407 48.1049 12.7919 48.105 5.39339 -18.3621 12.792 -18.3621 -6.60864 GPRESSAVG: 4393600 36.7808 49.4306 12.5211 48.9895 5.05985 -19.4387 12.2129 -14.8837 -6.6407 TIMING: 4393600 CPU: 13199.9, 0.00305865/step Wall: 13199.9, 0.00305865/step, 0.515213 hours remaining, 208.359375 MB of memory in use. ENERGY: 4393600 745.8692 2072.6856 1942.3330 108.4890 -206548.4510 18177.0464 0.0000 0.0000 34332.1625 -149169.8654 299.8313 -183502.0279 -149076.2331 299.4765 95.2463 126.6241 558141.5338 11.6751 11.7333 PRESSURE: 4393800 89.3789 -26.6179 -167.749 -26.6173 -18.531 -59.9786 -167.749 -59.9775 86.1435 GPRESSURE: 4393800 118.642 38.4896 -198.094 -95.1926 20.9534 -25.9627 -100.823 -15.1354 107.168 PRESSAVG: 4393800 74.0151 -2.15033 -83.5254 -2.15037 21.1744 25.4099 -83.5254 25.4099 -60.9956 GPRESSAVG: 4393800 73.2103 -2.39215 -84.4377 -2.04615 21.4826 28.0445 -82.248 22.1753 -60.2408 TIMING: 4393800 CPU: 13200.5, 0.00307637/step Wall: 13200.5, 0.00307637/step, 0.518026 hours remaining, 208.359375 MB of memory in use. ENERGY: 4393800 730.5465 2091.7252 1953.4443 107.5876 -206555.4530 18001.4409 0.0000 0.0000 34434.7929 -149235.9157 300.7276 -183670.7086 -149134.2985 299.5880 52.3305 82.2545 557732.3467 11.3980 11.4840 PRESSURE: 4394000 -114.061 208.209 130.604 208.21 -96.7613 98.9468 130.603 98.9468 -132.825 GPRESSURE: 4394000 -45.464 230.03 165.938 166.331 -75.5563 121.025 71.4816 86.4379 -129.779 PRESSAVG: 4394000 22.9899 6.09844 -68.9634 6.09843 36.2907 -2.70897 -68.9634 -2.7089 -53.0095 GPRESSAVG: 4394000 23.5986 7.21966 -68.8485 6.879 34.6246 -5.61118 -69.4401 -0.281676 -52.7246 TIMING: 4394000 CPU: 13201.1, 0.00303947/step Wall: 13201.1, 0.00303947/step, 0.511644 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: 4394000 769.0950 2101.4674 1935.0441 102.3656 -206376.5596 17824.8797 0.0000 0.0000 34331.9522 -149311.7558 299.8295 -183643.7079 -149210.1595 299.5510 -114.5492 -83.5998 557952.3580 2.0904 1.8329 PRESSURE: 4394200 402.788 -87.3176 48.2751 -87.3179 -123.264 -93.6179 48.2745 -93.6176 -30.4321 GPRESSURE: 4394200 429.869 -131.786 26.5201 -68.3325 -102.71 -148.053 69.9029 -89.0514 28.5348 PRESSAVG: 4394200 -4.89305 74.4559 18.5232 74.4557 29.1576 -12.5058 18.5233 -12.5059 -29.0677 GPRESSAVG: 4394200 -4.45438 73.7552 17.9722 73.5347 29.7849 -11.3713 18.3709 -13.4853 -30.2249 TIMING: 4394200 CPU: 13201.7, 0.00300833/step Wall: 13201.7, 0.00300833/step, 0.506235 hours remaining, 208.359375 MB of memory in use. ENERGY: 4394200 720.9647 2145.2204 1938.9900 103.8685 -206628.0809 18049.4772 0.0000 0.0000 34315.8371 -149353.7229 299.6887 -183669.5600 -149254.5675 299.7580 83.0305 118.5646 556572.7862 -1.6010 -1.6315 PRESSURE: 4394400 55.6905 -2.67774 80.5044 -2.67699 -8.53373 72.0475 80.5041 72.0486 -0.684894 GPRESSURE: 4394400 68.2275 119.784 85.3735 -23.2573 57.8063 90.4818 98.0978 -16.0853 18.149 PRESSAVG: 4394400 -6.92377 -14.1279 -23.1554 -14.1279 22.5613 -32.4163 -23.1554 -32.4162 -16.6633 GPRESSAVG: 4394400 -8.63565 -13.9986 -20.9015 -13.7561 23.4877 -33.2827 -24.925 -33.1214 -15.9987 TIMING: 4394400 CPU: 13202.3, 0.00301516/step Wall: 13202.3, 0.00301516/step, 0.507216 hours remaining, 208.359375 MB of memory in use. ENERGY: 4394400 700.8101 2148.7948 1939.5884 117.3154 -206329.5713 17770.3526 0.0000 0.0000 34388.1748 -149264.5351 300.3205 -183652.7099 -149164.7760 299.4275 15.4906 48.0609 555396.2450 -0.3419 -0.3822 PRESSURE: 4394600 51.1901 11.0898 -46.1301 11.0907 126.728 152.801 -46.1298 152.801 -175.33 GPRESSURE: 4394600 45.4852 25.2085 -85.285 52.5566 155.215 169.58 86.7541 119.661 -111.456 PRESSAVG: 4394600 -64.4217 55.92 -32.0757 55.92 -14.1055 -0.779667 -32.0756 -0.779598 64.1278 GPRESSAVG: 4394600 -64.2505 56.46 -30.735 55.1897 -14.6624 -1.16317 -30.5993 0.815981 64.0673 TIMING: 4394600 CPU: 13202.9, 0.00300614/step Wall: 13202.9, 0.00300614/step, 0.505533 hours remaining, 208.359375 MB of memory in use. ENERGY: 4394600 742.5199 2089.4722 1934.3635 106.7899 -206108.0458 17838.4358 0.0000 0.0000 34322.7687 -149073.6957 299.7493 -183396.4645 -148970.8806 299.3764 0.8627 29.7480 557366.3140 -4.7998 -4.9485 PRESSURE: 4394800 239.198 38.8294 -189.024 38.8298 125.137 157.596 -189.024 157.596 -43.2527 GPRESSURE: 4394800 230.956 58.8583 -165.53 90.6924 226.648 156.084 -326.402 108.627 -34.5915 PRESSAVG: 4394800 1.87101 30.9701 26.1918 30.9701 -9.08003 15.4603 26.1919 15.4603 -12.485 GPRESSAVG: 4394800 2.69908 29.4413 23.2999 32.0116 -9.10754 16.0187 28.0108 13.3337 -12.7413 TIMING: 4394800 CPU: 13203.5, 0.00302692/step Wall: 13203.5, 0.00302692/step, 0.508859 hours remaining, 208.359375 MB of memory in use. ENERGY: 4394800 726.5142 2011.2029 1963.6603 124.9305 -205797.1882 17664.3249 0.0000 0.0000 34240.8448 -149065.7105 299.0338 -183306.5553 -148963.7273 299.7029 107.0274 141.0041 556491.7633 -6.5647 -6.3833 PRESSURE: 4395000 -222.971 -146.828 -72.181 -146.829 55.6083 0.86043 -72.182 0.861365 -282.024 GPRESSURE: 4395000 -174.301 -164.43 -127.165 -86.9101 58.9362 28.0162 -64.3367 56.832 -253.905 PRESSAVG: 4395000 -28.1102 90.2873 19.2432 90.2873 66.9876 25.1629 19.2431 25.1629 1.78092 GPRESSAVG: 4395000 -28.3722 91.7588 20.8452 88.472 66.756 22.8392 17.7644 27.4873 2.00607 TIMING: 4395000 CPU: 13204.1, 0.00305487/step Wall: 13204.1, 0.00305487/step, 0.513387 hours remaining, 208.359375 MB of memory in use. ENERGY: 4395000 758.0621 2099.5663 1959.8750 115.1537 -206182.9935 17670.1422 0.0000 0.0000 34337.8285 -149242.3658 299.8808 -183580.1943 -149144.0631 299.2413 -149.7957 -123.0898 558053.8753 13.5528 13.4633 PRESSURE: 4395200 -271.707 81.4863 82.2951 81.4875 -65.0871 -118.179 82.296 -118.177 -142.508 GPRESSURE: 4395200 -191.5 89.4459 68.4284 110.705 -14.8721 -91.2408 72.2988 -184.451 -165.797 PRESSAVG: 4395200 4.24821 -18.8857 42.5896 -18.8858 37.3333 -20.6842 42.5895 -20.6843 -43.5869 GPRESSAVG: 4395200 4.78281 -18.9925 42.3762 -17.6971 37.8465 -17.2914 42.3878 -23.2931 -44.7263 TIMING: 4395200 CPU: 13204.7, 0.00303805/step Wall: 13204.7, 0.00303805/step, 0.510393 hours remaining, 208.359375 MB of memory in use. ENERGY: 4395200 751.4469 2092.7769 1932.1804 119.7250 -205964.9252 17559.8305 0.0000 0.0000 34194.3916 -149314.5739 298.6281 -183508.9655 -149206.1992 298.5568 -159.7675 -124.0564 557964.7236 -0.6685 -0.6990 PRESSURE: 4395400 228.498 88.2692 -50.2719 88.2706 -44.8463 35.0634 -50.2711 35.0643 -94.1354 GPRESSURE: 4395400 217.152 64.7257 23.5139 17.2611 -10.1317 -0.446591 -107.341 -106.226 -23.7562 PRESSAVG: 4395400 2.72904 20.2813 51.1501 20.2813 53.4018 0.595078 51.1501 0.594965 -43.8051 GPRESSAVG: 4395400 3.07223 19.5387 49.2387 19.6313 53.2594 -0.0367126 52.5143 1.36899 -43.9975 TIMING: 4395400 CPU: 13205.3, 0.00304398/step Wall: 13205.3, 0.00304398/step, 0.51122 hours remaining, 208.359375 MB of memory in use. ENERGY: 4395400 732.8071 2043.5961 1954.3151 111.9130 -206123.3388 17777.1547 0.0000 0.0000 33979.7075 -149523.8453 296.7532 -183503.5528 -149427.6379 298.3032 29.8388 61.0882 556054.6069 4.1086 4.1114 PRESSURE: 4395600 -117.972 -63.7843 8.95819 -63.7834 -99.6722 1.51107 8.9567 1.50986 -45.471 GPRESSURE: 4395600 -58.5073 -101.24 12.0712 -39.9886 -46.89 37.6194 29.7092 -91.1326 -55.5326 PRESSAVG: 4395600 -33.8516 -28.734 8.54971 -28.734 -25.1502 -7.11054 8.54981 -7.11044 82.7012 GPRESSAVG: 4395600 -35.1168 -29.6028 10.8475 -29.1055 -23.2988 -7.34123 6.97368 -6.29439 82.1217 TIMING: 4395600 CPU: 13205.9, 0.00301999/step Wall: 13205.9, 0.00301999/step, 0.507023 hours remaining, 208.359375 MB of memory in use. ENERGY: 4395600 713.4110 2053.3537 1943.8597 118.6654 -206473.5671 17697.7751 0.0000 0.0000 34352.7614 -149593.7408 300.0112 -183946.5022 -149491.3273 297.6487 -87.7050 -53.6433 558300.7077 7.8998 7.9021 PRESSURE: 4395800 -129.403 -6.0385 70.7939 -6.0396 -31.4429 30.46 70.7938 30.4609 -36.7024 GPRESSURE: 4395800 -54.2653 -27.4292 36.149 5.68081 10.9173 -9.81675 76.3194 105.438 -66.1803 PRESSAVG: 4395800 10.9235 9.68027 -28.8777 9.68031 -61.719 -31.8379 -28.8778 -31.8378 57.3595 GPRESSAVG: 4395800 11.3888 11.4584 -29.3087 9.68332 -63.4524 -29.7367 -28.0137 -33.6518 58.6788 TIMING: 4395800 CPU: 13206.5, 0.00303536/step Wall: 13206.5, 0.00303536/step, 0.509435 hours remaining, 208.359375 MB of memory in use. ENERGY: 4395800 718.1104 2068.1224 1959.1670 108.1218 -206082.4734 17576.3957 0.0000 0.0000 34122.7609 -149529.7952 298.0026 -183652.5561 -149437.8602 298.4496 -65.8496 -36.5095 556747.1190 2.1880 2.2050 PRESSURE: 4396000 -136.946 38.2128 -154.409 38.2125 -250.199 -46.3856 -154.409 -46.3852 -12.5294 GPRESSURE: 4396000 -157.057 -62.3874 -246.978 53.8052 -140.704 -126.987 -143.763 -27.1948 6.88178 PRESSAVG: 4396000 13.6019 -35.7119 -62.0055 -35.712 47.7934 -24.9274 -62.0056 -24.9272 -35.1045 GPRESSAVG: 4396000 13.0634 -36.693 -63.2573 -33.3374 47.8133 -26.304 -61.8311 -23.7187 -34.4015 TIMING: 4396000 CPU: 13207.1, 0.00303414/step Wall: 13207.1, 0.00303414/step, 0.509061 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: 4396000 749.7669 2056.0429 1947.0464 107.5753 -206163.3924 17534.9348 0.0000 0.0000 34303.7558 -149464.2703 299.5832 -183768.0261 -149365.6044 298.3884 -133.2246 -96.9599 556785.7926 8.7636 8.8251 PRESSURE: 4396200 -317.803 28.4159 4.76496 28.4155 -46.5281 -146.498 4.76463 -146.499 116.273 GPRESSURE: 4396200 -265.607 64.9638 10.5055 64.8242 -47.7832 -123.543 30.6219 -147.315 170.322 PRESSAVG: 4396200 -17.1392 -6.01544 -51.8558 -6.01549 26.8721 -11.7979 -51.8558 -11.798 -37.9277 GPRESSAVG: 4396200 -16.3916 -5.20754 -51.3324 -9.01587 28.2431 -13.9167 -52.107 -10.1701 -39.8775 TIMING: 4396200 CPU: 13207.7, 0.00303439/step Wall: 13207.7, 0.00303439/step, 0.508934 hours remaining, 208.359375 MB of memory in use. ENERGY: 4396200 744.5723 2110.7245 1954.2434 108.5419 -206227.5527 17731.0770 0.0000 0.0000 34262.4400 -149315.9536 299.2224 -183578.3936 -149214.7759 299.4494 -82.6860 -47.6894 557290.8860 -9.3982 -9.3420 LDB: ============= START OF LOAD BALANCING ============== 13211.2 LDB: ============== END OF LOAD BALANCING =============== 13211.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13211.2 LDB: ============= START OF LOAD BALANCING ============== 13211.5 LDB: Largest compute 4820 load 0.023065 is 19.5% of average load 0.118150 LDB: Average compute 0.001745 is 1.5% of average load 0.118150 LDB: TIME 13211.5 LOAD: AVG 0.11815 MAX 0.214858 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.047 MB LDB: TIME 13211.5 LOAD: AVG 0.11815 MAX 0.214858 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.117 MB LDB: TIME 13211.5 LOAD: AVG 0.11815 MAX 0.214858 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.117 MB LDB: ============== END OF LOAD BALANCING =============== 13211.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13211.5 PRESSURE: 4396400 212.848 -71.0359 189.79 -71.0359 235.486 16.0509 189.79 16.0501 -120.727 GPRESSURE: 4396400 295.447 -36.3927 202.573 -149.12 232.365 -2.97671 120.232 12.4929 -87.2295 PRESSAVG: 4396400 -27.0374 -40.3151 37.0354 -40.3151 57.1353 -8.876 37.0354 -8.87599 3.00073 GPRESSAVG: 4396400 -26.6118 -42.7913 37.2309 -38.1341 55.4559 -7.87056 36.9324 -9.33539 4.15028 TIMING: 4396400 CPU: 13208.4, 0.003083/step Wall: 13208.4, 0.003083/step, 0.516917 hours remaining, 209.394531 MB of memory in use. ENERGY: 4396400 745.1837 2075.1920 1950.2156 109.1194 -206573.1142 18133.1745 0.0000 0.0000 34077.8401 -149482.3889 297.6103 -183560.2290 -149390.0566 299.0145 109.2023 146.8610 555770.7446 11.0329 10.9981 PRESSURE: 4396600 -207.677 46.3968 -182.32 46.3967 -334.016 203.141 -182.32 203.142 61.5066 GPRESSURE: 4396600 -191.876 18.5972 -194.559 76.283 -286.188 195.404 -210.035 194.015 103.151 PRESSAVG: 4396600 -16.3795 -36.7753 -16.3004 -36.7753 10.7956 52.9968 -16.3004 52.9967 10.5149 GPRESSAVG: 4396600 -16.2461 -33.4621 -16.3298 -39.4562 11.5271 53.2527 -15.658 51.8152 9.98702 TIMING: 4396600 CPU: 13209, 0.00302342/step Wall: 13209, 0.00302342/step, 0.506758 hours remaining, 209.394531 MB of memory in use. ENERGY: 4396600 777.8316 2103.8712 1941.8628 107.7531 -206375.7137 17820.8199 0.0000 0.0000 34153.0691 -149470.5058 298.2672 -183623.5749 -149380.4053 298.9190 -160.0620 -124.9709 557414.5756 1.6437 1.7560 PRESSURE: 4396800 -73.8104 -4.30877 -222.203 -4.30845 216.131 -27.2356 -222.203 -27.2359 -151.077 GPRESSURE: 4396800 15.4876 2.47354 -293.337 -22.4787 209.648 -18.3409 -76.9426 32.9425 -138.396 PRESSAVG: 4396800 26.8164 -33.2248 -23.0397 -33.2247 -29.8847 80.6069 -23.0398 80.6069 6.1207 GPRESSAVG: 4396800 25.901 -33.437 -24.0466 -32.2406 -30.615 80.7263 -21.9349 80.7473 7.49444 TIMING: 4396800 CPU: 13209.6, 0.00299357/step Wall: 13209.6, 0.00299357/step, 0.50159 hours remaining, 209.394531 MB of memory in use. ENERGY: 4396800 724.4700 2059.4275 1969.9262 105.2215 -206422.6440 17756.8541 0.0000 0.0000 34279.1993 -149527.5454 299.3688 -183806.7447 -149437.1759 298.3064 -2.9187 28.9131 556013.7864 1.0175 0.9268 PRESSURE: 4397000 364.507 52.2685 -14.9515 52.2687 206.896 89.3575 -14.9502 89.3568 -165.502 GPRESSURE: 4397000 389.098 79.1791 -22.412 8.17515 226.389 129.36 5.77768 75.6674 -117.627 PRESSAVG: 4397000 36.6353 23.4294 2.90632 23.4294 -3.8624 36.3317 2.90637 36.3316 22.1146 GPRESSAVG: 4397000 36.9596 20.3211 3.8892 24.7807 -3.91255 35.4962 1.75335 37.4877 21.9262 TIMING: 4397000 CPU: 13210.2, 0.00303667/step Wall: 13210.2, 0.00303667/step, 0.508643 hours remaining, 209.394531 MB of memory in use. ENERGY: 4397000 726.7058 2081.9144 1950.4004 114.2510 -206606.4638 18086.3933 0.0000 0.0000 34255.5760 -149391.2229 299.1625 -183646.7988 -149292.8733 297.7897 135.3004 165.9534 557892.1511 18.2958 18.3244 PRESSURE: 4397200 -36.2579 124.74 32.9651 124.74 155.445 -105.015 32.9658 -105.017 -5.46855 GPRESSURE: 4397200 5.04708 64.8261 56.0992 134.056 205.041 -63.2385 -10.6722 -129.778 3.25989 PRESSAVG: 4397200 -1.17355 70.6892 3.08631 70.6892 -32.1021 -38.1838 3.08628 -38.1839 11.1389 GPRESSAVG: 4397200 -1.61574 71.1252 5.3133 70.2358 -31.8343 -38.0019 2.37441 -39.7828 11.1182 TIMING: 4397200 CPU: 13210.8, 0.00303231/step Wall: 13210.8, 0.00303231/step, 0.507744 hours remaining, 209.394531 MB of memory in use. ENERGY: 4397200 734.9506 2081.9650 1937.1634 109.1864 -206126.0499 17757.2875 0.0000 0.0000 34117.0901 -149388.4070 297.9530 -183505.4971 -149298.0746 298.8139 37.9061 71.1161 556616.7033 -7.3789 -7.4439 PRESSURE: 4397400 -175.203 182.175 -4.40916 182.174 -79.9969 -94.7178 -4.40833 -94.7174 -103.896 GPRESSURE: 4397400 -126.099 159.201 -60.9575 126.63 -64.7649 -208.669 -2.79793 36.0296 -65.874 PRESSAVG: 4397400 36.5501 53.337 -33.955 53.337 -27.0287 17.6169 -33.955 17.617 30.9979 GPRESSAVG: 4397400 37.476 54.0786 -35.256 54.7762 -27.3574 19.691 -32.6065 16.4439 30.2511 TIMING: 4397400 CPU: 13211.4, 0.00301854/step Wall: 13211.4, 0.00301854/step, 0.50527 hours remaining, 209.394531 MB of memory in use. ENERGY: 4397400 762.7005 2018.3309 1960.6975 101.1134 -206033.2047 17665.9649 0.0000 0.0000 34275.7149 -149248.6827 299.3383 -183524.3976 -149155.3092 298.7157 -119.6986 -85.5793 557387.7922 13.5064 13.4566 PRESSURE: 4397600 66.2182 52.2395 -96.4393 52.2406 264.296 66.5741 -96.4377 66.5743 131.749 GPRESSURE: 4397600 61.4059 48.5857 -157.227 4.35405 294.574 53.9286 -42.323 162.928 193.664 PRESSAVG: 4397600 26.7431 37.4638 20.9495 37.4638 -13.5282 -29.0253 20.9495 -29.0253 -30.2719 GPRESSAVG: 4397600 25.4636 38.8585 19.526 35.6475 -12.9152 -31.7043 21.2329 -27.5714 -30.4856 TIMING: 4397600 CPU: 13212, 0.00300581/step Wall: 13212, 0.00300581/step, 0.502972 hours remaining, 209.394531 MB of memory in use. ENERGY: 4397600 776.5307 2054.3468 1922.5985 109.5102 -206393.9451 18077.2552 0.0000 0.0000 34233.5749 -149220.1287 298.9703 -183453.7036 -149121.3256 299.7082 154.0876 183.2145 557172.9495 -5.6857 -5.9791 PRESSURE: 4397800 -181.048 -124.223 -133.849 -124.226 -31.2579 -14.9158 -133.848 -14.9175 -27.0509 GPRESSURE: 4397800 -153.187 -117.047 -143.94 -64.8362 43.7616 80.682 -202.841 -61.5873 -26.6165 PRESSAVG: 4397800 -37.1581 -26.4127 -55.731 -26.4127 115.447 -19.0763 -55.731 -19.0763 -10.6007 GPRESSAVG: 4397800 -37.195 -27.8301 -54.6786 -24.9403 114.831 -16.5498 -55.0466 -20.4405 -10.0944 TIMING: 4397800 CPU: 13212.6, 0.00300547/step Wall: 13212.6, 0.00300547/step, 0.502749 hours remaining, 209.394531 MB of memory in use. ENERGY: 4397800 736.1385 2049.4961 1907.6545 105.8469 -206240.1886 17763.1533 0.0000 0.0000 34403.9244 -149273.9749 300.4580 -183677.8993 -149180.5055 299.2834 -79.7857 -45.3473 557892.9617 22.5628 22.5139 PRESSURE: 4398000 -273.023 121.969 45.1747 121.97 -223.278 33.7459 45.1747 33.7464 -161.713 GPRESSURE: 4398000 -235.28 294.287 31.3248 67.2875 -144.957 -52.4652 135.906 20.6876 -169.91 PRESSAVG: 4398000 8.51061 6.54853 14.3802 6.54845 10.0696 -47.6922 14.3802 -47.6921 44.4273 GPRESSAVG: 4398000 9.11249 7.45184 15.3855 4.66768 10.3342 -48.2664 12.5743 -45.9076 43.9672 TIMING: 4398000 CPU: 13213.2, 0.00301092/step Wall: 13213.2, 0.00301092/step, 0.503492 hours remaining, 209.394531 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: 4398000 773.2123 2041.9570 1955.0512 114.0228 -206162.8548 17635.2329 0.0000 0.0000 34404.9660 -149238.4127 300.4671 -183643.3787 -149147.8156 299.5515 -219.3379 -183.3824 558103.3541 21.0025 21.1380 PRESSURE: 4398200 74.5325 -55.3589 68.0881 -55.359 -195.782 -18.9818 68.0881 -18.983 -100.853 GPRESSURE: 4398200 62.2914 -77.5776 101.108 -91.082 -169.374 -8.16183 89.0741 -69.4797 -5.32459 PRESSAVG: 4398200 -0.423539 18.0926 -15.7968 18.0925 -22.3069 -59.9004 -15.7969 -59.9003 24.8212 GPRESSAVG: 4398200 -1.03793 17.8793 -17.0585 21.4349 -21.8594 -60.0914 -14.8541 -62.2363 24.8255 TIMING: 4398200 CPU: 13213.8, 0.00302479/step Wall: 13213.8, 0.00302479/step, 0.505644 hours remaining, 209.394531 MB of memory in use. ENERGY: 4398200 739.7893 2065.2589 1957.5695 109.9031 -206487.9477 17951.5598 0.0000 0.0000 34432.4684 -149231.3988 300.7073 -183663.8672 -149143.2578 298.7166 -74.0341 -37.4691 557686.5506 0.6969 0.6427 PRESSURE: 4398400 -235.488 20.2763 -121.629 20.2768 -77.8749 140.937 -121.628 140.937 -149.425 GPRESSURE: 4398400 -240.326 54.3418 -148.884 17.7896 -66.8301 128.291 -66.4573 187.262 -66.9536 PRESSAVG: 4398400 6.44782 -6.83296 54.239 -6.83295 -45.2029 -24.8301 54.239 -24.8301 3.27662 GPRESSAVG: 4398400 6.05329 -9.17791 53.6507 -7.12866 -45.1569 -24.7839 53.7255 -22.3214 3.62374 TIMING: 4398400 CPU: 13214.4, 0.00303527/step Wall: 13214.4, 0.00303528/step, 0.507228 hours remaining, 209.394531 MB of memory in use. ENERGY: 4398400 727.4619 2111.0748 1937.4794 121.5257 -205963.2873 17514.5513 0.0000 0.0000 34302.9324 -149248.2619 299.5760 -183551.1943 -149147.9441 299.7388 -154.2627 -124.7032 557932.1717 -11.8262 -11.8266 PRESSURE: 4398600 -157.314 -11.4943 -26.4463 -11.4946 -82.0286 200.243 -26.4461 200.244 -190.52 GPRESSURE: 4398600 -131.538 -117.697 -92.8739 44.5506 -30.9732 146.108 38.2529 247.444 -176.865 PRESSAVG: 4398600 24.4029 4.32175 -8.60471 4.32178 -38.7831 34.7651 -8.60479 34.765 -8.04015 GPRESSAVG: 4398600 24.3344 5.86757 -8.8727 2.78147 -38.5441 35.3958 -7.25339 34.1689 -8.44193 TIMING: 4398600 CPU: 13215, 0.00304734/step Wall: 13215, 0.00304734/step, 0.509075 hours remaining, 209.394531 MB of memory in use. ENERGY: 4398600 733.8591 2077.6940 1944.2386 108.8530 -205930.6847 17584.9862 0.0000 0.0000 34275.9117 -149205.1421 299.3401 -183481.0537 -149095.6409 299.4016 -143.2878 -113.1253 558824.9882 -7.4734 -7.5505 PRESSURE: 4398800 -8.71442 -38.0136 4.18629 -38.0141 -275.713 316.317 4.18734 316.316 -104.48 GPRESSURE: 4398800 12.0527 17.2296 2.97323 -23.9494 -210.029 254.065 21.6063 245.269 -100.046 PRESSAVG: 4398800 13.3176 -7.48434 4.88984 -7.48441 -14.5488 103.356 4.88983 103.356 38.9956 GPRESSAVG: 4398800 12.5188 -6.60573 6.93741 -8.15119 -14.122 102.507 3.70769 104.459 38.701 TIMING: 4398800 CPU: 13215.6, 0.00304646/step Wall: 13215.6, 0.00304646/step, 0.508758 hours remaining, 209.394531 MB of memory in use. ENERGY: 4398800 737.5606 2104.9407 1961.1501 118.8020 -205753.3478 17582.0463 0.0000 0.0000 34189.8159 -149059.0322 298.5882 -183248.8482 -148958.3775 299.3035 -129.6356 -99.3409 557832.6963 12.5881 12.3659 PRESSURE: 4399000 -42.7937 -20.3439 42.9181 -20.3438 138.742 44.9356 42.9183 44.9358 20.8789 GPRESSURE: 4399000 76.4567 -65.3922 81.5085 84.7743 95.5121 163.745 -27.9579 -4.98579 56.9023 PRESSAVG: 4399000 -17.5069 -43.3215 21.0616 -43.3216 -15.829 43.4237 21.0617 43.4237 42.9161 GPRESSAVG: 4399000 -16.2686 -43.7639 19.8409 -42.3538 -17.349 43.1564 19.2047 41.064 43.3564 TIMING: 4399000 CPU: 13216.2, 0.0030327/step Wall: 13216.2, 0.0030327/step, 0.506293 hours remaining, 209.394531 MB of memory in use. ENERGY: 4399000 746.9538 2101.5791 1948.1690 108.2265 -206557.6255 18027.4786 0.0000 0.0000 34363.9884 -149261.2302 300.1093 -183625.2186 -149163.4712 299.7319 38.9423 76.2904 557071.1899 3.1934 3.2463 PRESSURE: 4399200 -328.599 -13.5894 17.5871 -13.589 -30.4203 -140.736 17.5869 -140.738 -46.6245 GPRESSURE: 4399200 -294.681 57.1723 141.363 -6.52308 -57.4958 -147.964 25.0697 -133.975 32.1696 PRESSAVG: 4399200 -86.038 32.1438 -5.60544 32.1437 69.9739 24.5845 -5.6055 24.5844 5.86683 GPRESSAVG: 4399200 -86.7583 31.4285 -3.30838 30.2834 70.0918 26.2742 -3.86501 26.058 5.9374 TIMING: 4399200 CPU: 13216.8, 0.00302167/step Wall: 13216.8, 0.00302167/step, 0.504283 hours remaining, 209.394531 MB of memory in use. ENERGY: 4399200 733.6790 2192.3861 1953.1069 114.9106 -206400.2814 17644.6599 0.0000 0.0000 34332.0215 -149429.5174 299.8301 -183761.5390 -149330.6825 298.9726 -135.2147 -106.6692 557160.6598 -3.3991 -3.5764 PRESSURE: 4399400 -62.7034 113.51 178.542 113.512 -68.2249 11.999 178.542 11.9992 120.518 GPRESSURE: 4399400 7.74725 75.5538 111.979 177.279 -31.7889 -31.1728 222.171 -59.7384 107.263 PRESSAVG: 4399400 -43.2844 13.0996 41.8209 13.0996 41.0915 31.5392 41.8209 31.5391 38.9206 GPRESSAVG: 4399400 -43.2562 12.6699 38.1304 15.5122 41.6329 30.4787 39.958 31.7829 38.91 TIMING: 4399400 CPU: 13217.4, 0.00302191/step Wall: 13217.4, 0.00302191/step, 0.504155 hours remaining, 209.394531 MB of memory in use. ENERGY: 4399400 753.4025 2046.2861 1940.4545 114.7165 -206472.4919 17926.5019 0.0000 0.0000 34153.1991 -149537.9314 298.2684 -183691.1305 -149439.0058 298.4443 -3.4702 27.7405 557311.6404 12.2426 12.4289 PRESSURE: 4399600 198.209 16.9356 -108.374 16.9341 -25.1377 61.0547 -108.373 61.0542 409.16 GPRESSURE: 4399600 231.221 46.7919 -76.4258 -2.31048 -27.1085 21.0298 -95.9127 59.0939 454.692 PRESSAVG: 4399600 -5.20943 29.0881 28.8955 29.0881 27.0921 -37.0517 28.8956 -37.0516 -14.8402 GPRESSAVG: 4399600 -5.07165 29.9571 30.4202 27.0206 26.8291 -35.7941 31.7095 -38.9082 -15.1678 TIMING: 4399600 CPU: 13218, 0.00302083/step Wall: 13218, 0.00302083/step, 0.503808 hours remaining, 209.394531 MB of memory in use. ENERGY: 4399600 699.2126 2103.5059 1941.0839 112.5061 -206625.1558 18020.7540 0.0000 0.0000 34304.2779 -149443.8154 299.5878 -183748.0933 -149341.0313 298.3949 194.0771 219.6016 558372.8981 2.3475 2.1966 PRESSURE: 4399800 -56.4518 9.21993 150.828 9.22129 -23.4597 37.776 150.828 37.7776 253.021 GPRESSURE: 4399800 -15.716 21.299 128.803 24.6791 21.136 82.5944 110.994 45.0523 277.936 PRESSAVG: 4399800 -7.82943 -1.55906 70.4744 -1.55894 -2.29259 22.6156 70.4745 22.6156 43.1131 GPRESSAVG: 4399800 -6.96436 -1.52335 70.5341 0.136553 -3.01922 21.6373 68.3979 23.6305 42.6218 TIMING: 4399800 CPU: 13218.6, 0.00300812/step Wall: 13218.6, 0.00300812/step, 0.501521 hours remaining, 209.394531 MB of memory in use. ENERGY: 4399800 771.3810 2113.6230 1953.3343 124.4740 -206305.3217 17821.0701 0.0000 0.0000 34284.5315 -149236.9077 299.4153 -183521.4393 -149146.0620 298.7637 57.7031 94.4521 557844.6296 10.9970 10.8794 PRESSURE: 4400000 -82.375 93.5456 22.3223 93.5445 -339.68 32.3311 22.3217 32.3321 -149.856 GPRESSURE: 4400000 -38.4649 -14.3078 82.5285 132.189 -283.138 -116.171 56.4184 101.995 -160.791 PRESSAVG: 4400000 -35.6224 -38.3884 -8.71994 -38.3884 -44.7748 -11.7855 -8.71992 -11.7854 33.3305 GPRESSAVG: 4400000 -35.1593 -39.3812 -8.66392 -38.097 -44.4703 -10.3034 -9.95429 -13.1145 32.9406 TIMING: 4400000 CPU: 13219.2, 0.00304668/step Wall: 13219.2, 0.00304668/step, 0.50778 hours remaining, 209.394531 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: 4400000 747.1232 2163.0014 1954.6913 119.2725 -205590.2820 17438.6272 0.0000 0.0000 33944.7237 -149222.8427 296.4477 -183167.5664 -149129.6403 298.6701 -190.6369 -160.7980 559428.4295 -15.6889 -15.5630 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4400000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4400000 WRITING COORDINATES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4400000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4400200 -17.6782 -78.9545 187.397 -78.9542 -72.8025 -100.813 187.398 -100.812 -97.9607 GPRESSURE: 4400200 -6.87027 -120.831 184.606 -71.7984 -65.96 -62.5062 184.503 -86.6058 -9.38621 PRESSAVG: 4400200 -19.9823 -17.1143 60.4089 -17.1141 7.8897 -53.526 60.4089 -53.5259 31.8654 GPRESSAVG: 4400200 -20.7571 -15.3656 61.1789 -19.5778 9.09076 -54.7069 61.1056 -53.0414 31.5342 TIMING: 4400200 CPU: 13219.9, 0.00335143/step Wall: 13219.9, 0.00335143/step, 0.558385 hours remaining, 209.394531 MB of memory in use. ENERGY: 4400200 800.1593 2102.7730 1967.0610 119.8550 -206233.1828 17851.7547 0.0000 0.0000 34293.4975 -149098.0823 299.4936 -183391.5798 -149006.2241 300.0759 -62.8138 -27.4055 559128.5310 6.5909 6.6226 LDB: ============= START OF LOAD BALANCING ============== 13223.3 LDB: ============== END OF LOAD BALANCING =============== 13223.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13223.3 LDB: ============= START OF LOAD BALANCING ============== 13223.6 LDB: Largest compute 4820 load 0.023246 is 19.7% of average load 0.118142 LDB: Average compute 0.001734 is 1.5% of average load 0.118142 LDB: TIME 13223.6 LOAD: AVG 0.118142 MAX 0.216683 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.074 MB LDB: TIME 13223.6 LOAD: AVG 0.118142 MAX 0.216683 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.078 MB LDB: TIME 13223.6 LOAD: AVG 0.118142 MAX 0.216683 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.078 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13223.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13223.7 PRESSURE: 4400400 -340.733 13.2939 -159.216 13.2935 84.0344 -19.7057 -159.216 -19.7043 -349.035 GPRESSURE: 4400400 -312.072 -39.0758 -180.718 -11.2351 116.509 110.883 -119.318 -93.6041 -297.04 PRESSAVG: 4400400 -9.62621 -75.6403 20.5953 -75.6402 5.3054 -16.669 20.5953 -16.6691 -25.7051 GPRESSAVG: 4400400 -10.2246 -77.6342 20.9354 -72.6947 4.87212 -17.1847 19.533 -16.5892 -24.6121 TIMING: 4400400 CPU: 13220.5, 0.00307228/step Wall: 13220.5, 0.00307228/step, 0.511706 hours remaining, 206.808594 MB of memory in use. ENERGY: 4400400 752.5232 2077.8362 1992.9066 126.9628 -205646.4599 17429.9739 0.0000 0.0000 34159.1540 -149107.1031 298.3204 -183266.2571 -149009.3640 299.2909 -201.9112 -164.2012 557971.6797 -10.0086 -9.9882 PRESSURE: 4400600 51.712 27.8557 -118.778 27.8557 -122.645 -3.79268 -118.779 -3.79327 -25.5022 GPRESSURE: 4400600 68.2899 15.6469 -113.968 24.3059 -98.9397 22.6165 -69.0896 15.556 24.4214 PRESSAVG: 4400600 -68.8553 82.5496 19.2106 82.5497 90.2598 45.6044 19.2104 45.6043 16.2768 GPRESSAVG: 4400600 -68.4297 83.9777 18.616 81.3639 89.8129 46.6639 19.2882 45.7838 15.7394 TIMING: 4400600 CPU: 13221.1, 0.00301607/step Wall: 13221.1, 0.00301607/step, 0.502176 hours remaining, 206.808594 MB of memory in use. ENERGY: 4400600 757.1726 2089.1655 1942.2280 113.2246 -206104.1535 17914.8543 0.0000 0.0000 34115.9770 -149171.5315 297.9433 -183287.5085 -149082.1511 299.2736 -32.1452 -2.0761 558176.1033 12.5604 12.3742 PRESSURE: 4400800 30.7678 11.3127 93.9546 11.3108 36.1006 85.3564 93.9551 85.356 188.97 GPRESSURE: 4400800 48.5014 34.0497 126.352 51.4606 60.3949 34.3538 104.609 124.533 249.623 PRESSAVG: 4400800 77.3892 25.0303 -7.19297 25.0304 -24.4971 30.75 -7.19297 30.7499 -34.7901 GPRESSAVG: 4400800 76.6427 25.5143 -6.88041 26.5218 -24.3746 30.5336 -4.96351 31.905 -34.3397 TIMING: 4400800 CPU: 13221.7, 0.00303564/step Wall: 13221.7, 0.00303564/step, 0.505265 hours remaining, 207.007812 MB of memory in use. ENERGY: 4400800 801.8663 2079.4047 1937.8461 104.2932 -206404.5174 18003.5577 0.0000 0.0000 34242.2542 -149235.2952 299.0461 -183477.5494 -149130.3309 298.6571 85.2793 119.5065 557033.0275 6.0340 5.9761 PRESSURE: 4401000 100.181 93.9173 161.665 93.9191 -210.423 166.034 161.666 166.033 -214.466 GPRESSURE: 4401000 143.002 97.1569 43.5281 96.8128 -191.482 250.354 224.057 195.709 -172.173 PRESSAVG: 4401000 -3.0383 31.4683 -8.47118 31.4683 -10.8716 12.6742 -8.47104 12.6742 18.6073 GPRESSAVG: 4401000 -2.87336 31.7121 -10.4208 29.2566 -10.6274 12.5575 -7.93573 11.6828 18.6662 TIMING: 4401000 CPU: 13222.3, 0.00302763/step Wall: 13222.3, 0.00302763/step, 0.503765 hours remaining, 207.007812 MB of memory in use. ENERGY: 4401000 729.7387 2152.8705 1960.9113 120.4962 -205765.5991 17494.3504 0.0000 0.0000 34090.2962 -149216.9357 297.7190 -183307.2320 -149127.5873 298.7837 -108.2363 -73.5514 557534.8964 1.5658 1.7218 PRESSURE: 4401200 -0.622065 -132.905 -77.3007 -132.905 -139.54 23.1554 -77.2999 23.1557 -5.76715 GPRESSURE: 4401200 45.9874 -148.215 -21.2552 -180.988 -169.814 69.5894 -140.073 -92.7864 62.858 PRESSAVG: 4401200 45.9346 -36.3965 -65.5138 -36.3964 -31.7855 -18.4406 -65.5138 -18.4408 9.89823 GPRESSAVG: 4401200 46.0898 -36.4251 -63.2092 -36.5555 -31.8679 -19.3006 -66.7282 -19.8145 9.98145 TIMING: 4401200 CPU: 13222.9, 0.00300739/step Wall: 13222.9, 0.00300739/step, 0.500228 hours remaining, 207.007812 MB of memory in use. ENERGY: 4401200 723.6517 2130.1686 1955.3815 119.8013 -205900.1319 17470.4953 0.0000 0.0000 34463.7913 -149036.8422 300.9809 -183500.6335 -148939.0883 299.5402 -48.6430 -20.3229 555946.9479 8.0158 8.0678 PRESSURE: 4401400 -47.2261 10.1806 73.9575 10.1816 -239.543 74.9538 73.9575 74.9516 -34.7794 GPRESSURE: 4401400 38.7121 52.6383 91.5375 10.1068 -237.316 158.246 21.9196 55.254 -30.407 PRESSAVG: 4401400 76.4849 15.3548 -17.038 15.3549 -27.1983 -60.9545 -17.0379 -60.9547 -43.9519 GPRESSAVG: 4401400 76.5932 14.8592 -17.2363 15.5387 -27.457 -60.1556 -17.7014 -61.0744 -43.8857 TIMING: 4401400 CPU: 13223.5, 0.00301398/step Wall: 13223.5, 0.00301398/step, 0.501158 hours remaining, 207.007812 MB of memory in use. ENERGY: 4401400 789.2092 2082.5859 1959.9801 100.4538 -206025.8179 17659.5933 0.0000 0.0000 34193.6015 -149240.3941 298.6212 -183433.9956 -149145.3927 299.3690 -107.1828 -76.3371 558242.3831 1.7783 1.7502 PRESSURE: 4401600 -131.396 8.05604 -62.1249 8.05754 206.563 8.62156 -62.1244 8.62109 -150.769 GPRESSURE: 4401600 -56.3239 -11.6071 -44.6158 32.2128 173.4 -19.1673 -132.875 103.287 -104.357 PRESSAVG: 4401600 0.45271 -14.7438 -18.9645 -14.7439 -48.8635 7.88625 -18.9644 7.88637 27.263 GPRESSAVG: 4401600 0.368097 -14.5019 -19.2817 -14.4986 -49.3394 6.56321 -17.7585 11.2282 27.235 TIMING: 4401600 CPU: 13224.1, 0.00300236/step Wall: 13224.1, 0.00300236/step, 0.499059 hours remaining, 207.007812 MB of memory in use. ENERGY: 4401600 767.1614 2115.1760 1958.2969 117.7760 -206206.1946 17793.2971 0.0000 0.0000 34130.9962 -149323.4909 298.0745 -183454.4871 -149224.8984 299.2193 -25.2004 4.2397 557986.1113 -7.0493 -7.2454 PRESSURE: 4401800 -107.933 144.498 -20.402 144.498 0.0601144 147.705 -20.4024 147.703 116.635 GPRESSURE: 4401800 -39 138.496 39.0854 186.637 66.8897 179.169 -1.36527 147.234 82.3678 PRESSAVG: 4401800 10.3135 22.483 -11.1954 22.4831 62.6849 27.5405 -11.1956 27.5404 -21.6706 GPRESSAVG: 4401800 10.2584 23.7185 -12.4981 23.5075 63.1781 28.1213 -11.4591 24.76 -22.1155 TIMING: 4401800 CPU: 13224.8, 0.00301912/step Wall: 13224.8, 0.00301912/step, 0.501677 hours remaining, 207.007812 MB of memory in use. ENERGY: 4401800 747.0495 2088.8150 1948.2425 110.4330 -206170.0979 17869.8959 0.0000 0.0000 34108.8585 -149296.8034 297.8811 -183405.6619 -149199.1766 298.4493 2.9207 36.7525 557945.5855 17.1092 17.1070 PRESSURE: 4402000 49.8021 3.68694 -164.706 3.68724 52.4163 -30.8006 -164.705 -30.8001 42.2503 GPRESSURE: 4402000 63.0739 47.6134 -162.314 -89.2956 59.1477 56.0791 -102.428 -44.1582 114.421 PRESSAVG: 4402000 34.9861 32.6582 -23.2615 32.6581 17.6103 -9.3022 -23.2615 -9.30224 -27.0131 GPRESSAVG: 4402000 35.0875 29.987 -23.0695 32.4049 17.0084 -7.5449 -22.4068 -9.60597 -27.1682 TIMING: 4402000 CPU: 13225.4, 0.00306874/step Wall: 13225.4, 0.00306874/step, 0.509751 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: 4402000 716.3616 2134.1647 1944.0860 121.1237 -206120.7322 17678.8667 0.0000 0.0000 34195.1241 -149331.0053 298.6345 -183526.1294 -149234.4932 298.4083 48.1562 78.8809 556107.4051 8.5277 8.3092 PRESSURE: 4402200 59.012 -43.8007 19.7859 -43.7995 75.7582 -23.1161 19.7844 -23.1162 38.3866 GPRESSURE: 4402200 119.379 -80.968 26.9508 -61.6937 97.8847 23.7853 -36.9206 -67.5283 50.8475 PRESSAVG: 4402200 20.8917 -17.6195 35.1369 -17.6195 -34.079 -33.4414 35.1369 -33.4414 -0.597974 GPRESSAVG: 4402200 20.7189 -17.8598 35.5606 -17.5906 -34.5101 -33.7735 33.1366 -33.9164 0.194766 TIMING: 4402200 CPU: 13226, 0.00306316/step Wall: 13226, 0.00306316/step, 0.508656 hours remaining, 207.007812 MB of memory in use. ENERGY: 4402200 739.2967 2065.0457 1962.6300 119.6626 -206089.1761 17897.6856 0.0000 0.0000 34239.7040 -149065.1514 299.0239 -183304.8554 -148962.9144 299.3760 57.7189 89.3706 556227.0908 -4.5951 -4.5321 PRESSURE: 4402400 187.972 -52.4266 64.3875 -52.4255 -273.644 -219.771 64.3889 -219.771 226.373 GPRESSURE: 4402400 233.307 -30.6318 48.6783 -64.7806 -189.136 -191.491 -9.38564 -248.605 208.824 PRESSAVG: 4402400 25.0749 -15.5181 -10.686 -15.5181 8.56561 -5.25012 -10.686 -5.25014 -30.0627 GPRESSAVG: 4402400 24.1208 -15.053 -10.162 -15.8085 10.4497 -5.52603 -10.309 -5.58767 -30.9558 TIMING: 4402400 CPU: 13226.6, 0.00304747/step Wall: 13226.6, 0.00304747/step, 0.505879 hours remaining, 207.007812 MB of memory in use. ENERGY: 4402400 770.1689 2029.8999 1949.7912 98.4645 -206050.6794 17834.8266 0.0000 0.0000 34312.3529 -149055.1754 299.6583 -183367.5283 -148961.6324 299.9730 46.9004 84.3318 557431.0897 1.1926 1.2049 PRESSURE: 4402600 5.82885 74.8991 59.6234 74.8981 78.7144 -61.6918 59.6234 -61.6905 -43.9692 GPRESSURE: 4402600 27.1481 94.5872 -8.3497 113.594 116.368 -127.152 75.1425 15.3465 0.736275 PRESSAVG: 4402600 -59.9108 -7.42101 -79.3905 -7.42113 28.7255 -52.639 -79.3906 -52.639 33.1888 GPRESSAVG: 4402600 -59.1152 -5.71525 -79.2307 -9.15348 28.6007 -53.4466 -79.5082 -52.4212 32.7449 TIMING: 4402600 CPU: 13227.2, 0.0030398/step Wall: 13227.2, 0.0030398/step, 0.504437 hours remaining, 207.007812 MB of memory in use. ENERGY: 4402600 761.1223 2052.7988 1967.1380 116.0451 -206203.2485 17905.9946 0.0000 0.0000 34267.6979 -149132.4517 299.2683 -183400.1496 -149022.7295 299.3464 13.5247 48.0842 557979.1043 0.6679 0.7435 PRESSURE: 4402800 -203.597 -37.3059 -36.3193 -37.3059 1.28021 0.284836 -36.3184 0.285534 32.3549 GPRESSURE: 4402800 -160.417 -60.6875 8.7 -32.9278 39.233 66.5205 -83.0325 41.1123 36.3406 PRESSAVG: 4402800 -5.73675 -15.259 4.54414 -15.2589 -15.7129 -29.2359 4.5441 -29.2359 -27.7123 GPRESSAVG: 4402800 -5.86816 -16.3045 5.67282 -15.0211 -16.6084 -28.4401 5.47664 -29.8882 -27.0055 TIMING: 4402800 CPU: 13227.8, 0.00304019/step Wall: 13227.8, 0.00304019/step, 0.504333 hours remaining, 207.074219 MB of memory in use. ENERGY: 4402800 777.6261 2087.6028 1963.8346 101.8489 -206070.4832 17617.5135 0.0000 0.0000 34398.5433 -149123.5141 300.4110 -183522.0574 -149023.7075 300.1669 -56.6540 -28.2811 558324.6690 -16.3873 -16.4940 PRESSURE: 4403000 81.5143 16.5526 -31.2604 16.5518 -12.9204 111.497 -31.2586 111.497 -9.8812 GPRESSURE: 4403000 150.677 58.7691 -9.89286 -22.3141 35.2597 126.113 -62.0283 96.894 -24.206 PRESSAVG: 4403000 -24.7282 0.518145 -34.9493 0.518179 15.3513 7.95523 -34.9492 7.95529 25.487 GPRESSAVG: 4403000 -24.9618 1.82413 -35.2798 1.51236 17.2602 7.87678 -36.4538 9.12673 24.1865 TIMING: 4403000 CPU: 13228.4, 0.00305227/step Wall: 13228.4, 0.00305227/step, 0.506169 hours remaining, 207.074219 MB of memory in use. ENERGY: 4403000 771.4138 2101.1888 1995.9805 114.6471 -206343.2005 17921.1602 0.0000 0.0000 34436.7889 -149002.0213 300.7450 -183438.8102 -148903.9373 299.4191 19.5709 53.9104 557835.3340 5.3700 5.4950 PRESSURE: 4403200 -178.654 -66.3732 68.4114 -66.3724 324.659 -145.093 68.411 -145.092 -88.9478 GPRESSURE: 4403200 -136.68 -130.124 8.27271 20.3088 281.935 10.0537 139.43 -148.093 1.25057 PRESSAVG: 4403200 -29.9962 -32.7692 2.25986 -32.7692 14.3116 12.0095 2.25988 12.0095 8.28436 GPRESSAVG: 4403200 -30.3052 -32.9027 1.43701 -33.0921 13.2192 9.49307 2.52161 13.0529 9.52161 TIMING: 4403200 CPU: 13229, 0.00303511/step Wall: 13229, 0.00303511/step, 0.503154 hours remaining, 207.074219 MB of memory in use. ENERGY: 4403200 693.9428 2146.9554 1910.2332 106.3028 -206040.9794 17908.1010 0.0000 0.0000 34154.7540 -149120.6903 298.2820 -183275.4443 -149029.1858 299.9271 19.0190 48.8351 559499.0294 -2.4667 -2.5215 PRESSURE: 4403400 114.214 117.215 83.0706 117.214 -41.1904 150.877 83.0705 150.879 -30.3563 GPRESSURE: 4403400 113.868 184.634 68.8953 108.136 22.2414 208.568 66.0956 171.53 13.1976 PRESSAVG: 4403400 -36.3391 -3.51377 66.3138 -3.51377 30.0127 38.4702 66.3139 38.4702 32.8868 GPRESSAVG: 4403400 -35.6762 -4.69321 66.3453 -3.80363 29.4937 41.7013 66.171 37.1583 32.6755 TIMING: 4403400 CPU: 13229.6, 0.00302107/step Wall: 13229.6, 0.00302108/step, 0.500659 hours remaining, 207.074219 MB of memory in use. ENERGY: 4403400 776.5239 2149.5775 1938.2386 106.5878 -206014.6254 17903.4388 0.0000 0.0000 34208.7990 -148931.4598 298.7539 -183140.2588 -148841.3805 299.7381 14.2224 49.7690 557347.7035 8.8535 8.8310 PRESSURE: 4403600 126.303 -118.754 -72.9135 -118.754 268.533 -179.411 -72.9129 -179.411 -68.6331 GPRESSURE: 4403600 170.513 -94.2143 -50.6023 -224.236 307.015 -147.887 12.1981 -201.231 -58.4471 PRESSAVG: 4403600 0.446624 -3.64216 35.0538 -3.64217 -3.19213 14.1992 35.0538 14.1994 24.7162 GPRESSAVG: 4403600 -0.0403546 -3.99589 34.5852 -1.33495 -2.52354 12.6012 36.0286 14.0655 24.5584 TIMING: 4403600 CPU: 13230.2, 0.00302729/step Wall: 13230.2, 0.00302729/step, 0.501521 hours remaining, 207.074219 MB of memory in use. ENERGY: 4403600 755.6405 2137.5558 1975.9733 122.3513 -206059.2892 17827.2903 0.0000 0.0000 34306.4907 -148933.9871 299.6071 -183240.4778 -148838.8114 300.0568 108.7345 139.6936 556871.0090 7.3236 7.3315 PRESSURE: 4403800 -181.563 -82.3151 267.655 -82.3147 -223.442 25.2625 267.655 25.2617 -244.243 GPRESSURE: 4403800 -215.045 -44.5271 274.545 -123.012 -139.847 49.7436 307.618 29.3016 -198.188 PRESSAVG: 4403800 55.354 -8.90916 45.8473 -8.90917 12.9881 44.2151 45.8472 44.2151 5.57804 GPRESSAVG: 4403800 55.8549 -6.83105 46.9833 -11.5515 12.4627 45.0802 43.8985 45.7709 5.14977 TIMING: 4403800 CPU: 13230.8, 0.00303708/step Wall: 13230.8, 0.00303708/step, 0.502973 hours remaining, 207.074219 MB of memory in use. ENERGY: 4403800 746.4439 2093.7625 1958.1219 118.6019 -206054.3595 17587.6090 0.0000 0.0000 34440.1106 -149109.7097 300.7741 -183549.8204 -149009.0619 300.1471 -216.4160 -184.3599 557800.0639 24.6400 24.4891 PRESSURE: 4404000 137.375 -229.653 71.3213 -229.654 226.111 74.7091 71.3203 74.7113 48.109 GPRESSURE: 4404000 165.504 -182.63 22.0394 -209.142 271.214 81.0667 42.5519 39.7396 70.1631 PRESSAVG: 4404000 11.8736 -42.0134 10.1478 -42.0135 -5.04812 -26.015 10.1478 -26.0148 -27.7876 GPRESSAVG: 4404000 11.8014 -40.4161 8.99231 -44.1105 -5.572 -27.0216 10.6445 -25.3354 -27.5177 TIMING: 4404000 CPU: 13231.4, 0.00301707/step Wall: 13231.4, 0.00301707/step, 0.499493 hours remaining, 207.074219 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: 4404000 730.6668 2107.4560 1954.8711 125.7990 -206176.9303 17906.2030 0.0000 0.0000 34387.5583 -148964.3761 300.3151 -183351.9344 -148865.3436 300.6246 137.1985 168.9604 556829.1251 -6.9874 -7.0961 PRESSURE: 4404200 -0.919144 31.9768 -65.5159 31.9749 -9.31731 26.2785 -65.5159 26.279 -9.93222 GPRESSURE: 4404200 34.013 44.8565 -27.5972 86.0642 14.1533 40.0554 -158.17 17.5077 32.2223 PRESSAVG: 4404200 -29.4727 48.3155 25.6688 48.3154 33.1423 19.8084 25.6688 19.8084 -21.6944 GPRESSAVG: 4404200 -28.9617 47.5562 25.116 50.4837 32.6315 21.1471 24.9563 17.6902 -21.4388 TIMING: 4404200 CPU: 13232, 0.00302282/step Wall: 13232, 0.00302282/step, 0.500276 hours remaining, 207.074219 MB of memory in use. ENERGY: 4404200 727.5510 2070.6024 1969.7392 122.1903 -205920.0157 17608.6297 0.0000 0.0000 34425.5740 -148995.7290 300.6471 -183421.3031 -148896.9616 300.3438 -6.7229 26.7962 557520.4335 -6.0083 -5.9230 LDB: ============= START OF LOAD BALANCING ============== 13235.5 LDB: ============== END OF LOAD BALANCING =============== 13235.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13235.5 LDB: ============= START OF LOAD BALANCING ============== 13235.8 LDB: Largest compute 4820 load 0.024441 is 20.7% of average load 0.118102 LDB: Average compute 0.001742 is 1.5% of average load 0.118102 LDB: TIME 13235.8 LOAD: AVG 0.118102 MAX 0.216071 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.844 MB LDB: TIME 13235.8 LOAD: AVG 0.118102 MAX 0.216071 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.043 MB LDB: TIME 13235.8 LOAD: AVG 0.118102 MAX 0.216071 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13235.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13235.8 PRESSURE: 4404400 -311.76 -118.257 -83.0819 -118.258 111.162 -60.5929 -83.0813 -60.5917 -54.3384 GPRESSURE: 4404400 -274.282 -122.925 -83.9322 -108.88 125.969 -10.244 -63.7782 -101.631 -15.9646 PRESSAVG: 4404400 -73.3256 39.7173 -0.0291803 39.7173 20.623 -25.6269 -0.0290798 -25.6269 38.6805 GPRESSAVG: 4404400 -73.7141 36.6391 -0.0723733 39.7456 22.1463 -25.5331 0.639839 -24.9044 37.7627 TIMING: 4404400 CPU: 13232.7, 0.00308516/step Wall: 13232.7, 0.00308516/step, 0.510422 hours remaining, 209.125000 MB of memory in use. ENERGY: 4404400 796.8536 2114.3405 1937.6352 116.4219 -205624.8551 17506.9140 0.0000 0.0000 34206.3111 -148946.3787 298.7322 -183152.6898 -148845.4336 299.9601 -84.9788 -54.7590 559522.6531 -4.6740 -4.6017 PRESSURE: 4404600 97.2878 109.793 -43.188 109.793 -107.649 5.18446 -43.1876 5.18412 -39.5124 GPRESSURE: 4404600 187.746 144.729 -54.4698 41.3945 -110.629 45.3972 -57.4437 -61.9952 -15.813 PRESSAVG: 4404600 -34.1337 20.3686 -13.9359 20.3685 3.32322 -17.7216 -13.9359 -17.7215 6.85534 GPRESSAVG: 4404600 -34.799 19.729 -14.6967 21.471 2.69153 -18.6926 -13.1425 -17.5797 8.21838 TIMING: 4404600 CPU: 13233.3, 0.00302326/step Wall: 13233.3, 0.00302326/step, 0.500014 hours remaining, 209.195312 MB of memory in use. ENERGY: 4404600 751.6441 2086.3958 1980.6147 103.7878 -205881.4633 17771.3520 0.0000 0.0000 34374.9451 -148812.7238 300.2049 -183187.6689 -148714.8399 300.6840 -16.6244 20.4348 559040.3023 -7.9851 -7.9630 PRESSURE: 4404800 35.3539 -110.603 -51.9517 -110.602 146.572 -3.48402 -51.9523 -3.4841 245.201 GPRESSURE: 4404800 80.4993 -120.279 -74.6517 -111.425 159.016 -39.582 29.5851 -119.586 288.844 PRESSAVG: 4404800 -12.8728 -43.7346 36.231 -43.7346 -22.9799 -46.0227 36.2309 -46.0227 31.5831 GPRESSAVG: 4404800 -11.7033 -41.9599 38.3474 -43.5525 -23.0017 -44.4984 35.3064 -47.8901 30.9864 TIMING: 4404800 CPU: 13233.9, 0.00301176/step Wall: 13233.9, 0.00301176/step, 0.497944 hours remaining, 209.195312 MB of memory in use. ENERGY: 4404800 743.5408 1996.4197 1957.7284 120.7530 -206198.1817 18011.2871 0.0000 0.0000 34400.8921 -148967.5607 300.4315 -183368.4528 -148872.2246 300.0047 142.3757 176.1197 557678.0582 -1.4232 -1.2395 PRESSURE: 4405000 -260.121 37.0011 87.1336 37.0013 0.858595 -124.272 87.1356 -124.273 -73.3651 GPRESSURE: 4405000 -163.752 40.0319 57.6107 -25.8745 -15.6698 -112.361 87.099 -213.319 -74.9864 PRESSAVG: 4405000 17.2778 -46.1775 35.0325 -46.1775 23.0331 40.36 35.0325 40.36 -64.6338 GPRESSAVG: 4405000 16.5668 -47.8681 34.6165 -46.3543 24.5185 40.7411 36.3791 40.915 -65.4741 TIMING: 4405000 CPU: 13234.5, 0.00303691/step Wall: 13234.5, 0.00303691/step, 0.501934 hours remaining, 209.195312 MB of memory in use. ENERGY: 4405000 729.8844 2033.1137 1934.5333 114.8046 -205771.0209 17740.1840 0.0000 0.0000 34199.2489 -149019.2521 298.6705 -183218.5010 -148916.5812 299.6387 -110.8757 -84.8026 558995.7383 -8.1076 -8.1296 PRESSURE: 4405200 -29.1079 64.0501 95.0682 64.0505 -123.602 -113.423 95.0683 -113.422 -73.5835 GPRESSURE: 4405200 16.2636 94.3303 35.3805 77.4401 -67.958 -117.928 136.541 -62.8958 -72.0129 PRESSAVG: 4405200 -73.3636 72.5686 57.3553 72.5685 -11.6876 17.8444 57.3553 17.8444 44.3898 GPRESSAVG: 4405200 -73.2975 75.0429 56.8043 73.0505 -11.813 14.9543 57.1932 17.8275 45.0194 TIMING: 4405200 CPU: 13235.1, 0.00308041/step Wall: 13235.1, 0.00308041/step, 0.508952 hours remaining, 209.195312 MB of memory in use. ENERGY: 4405200 774.4106 2101.9732 1962.0866 114.6443 -206050.7673 17757.0208 0.0000 0.0000 34244.0352 -149096.5967 299.0617 -183340.6319 -149001.0871 299.6687 -75.4313 -41.2358 559303.4461 -13.5538 -13.3637 PRESSURE: 4405400 160.796 68.9115 -36.5422 68.9111 -105.824 -36.6127 -36.5417 -36.6129 239.561 GPRESSURE: 4405400 202.603 152.461 -36.6777 -25.5499 -43.9639 -51.3966 -61.7811 -48.5 228.852 PRESSAVG: 4405400 -7.44255 9.7405 -41.4322 9.74053 -26.8658 3.32658 -41.4322 3.32651 52.332 GPRESSAVG: 4405400 -7.9986 10.9212 -39.7996 7.75856 -26.7732 4.71374 -43.6404 3.70416 52.5137 TIMING: 4405400 CPU: 13235.7, 0.00305132/step Wall: 13235.7, 0.00305132/step, 0.503976 hours remaining, 209.195312 MB of memory in use. ENERGY: 4405400 715.0475 2016.0114 1953.5408 109.2412 -206377.0364 17975.6280 0.0000 0.0000 34345.1173 -149262.4502 299.9445 -183607.5676 -149160.0213 299.3143 98.1777 129.1636 558732.7557 6.0079 5.9139 PRESSURE: 4405600 -66.6913 -28.3046 49.8282 -28.3047 -29.8768 -106.601 49.8289 -106.601 48.1535 GPRESSURE: 4405600 -30.7393 13.7523 48.3852 -52.6143 -3.77175 -11.8602 53.3432 -79.1427 82.0013 PRESSAVG: 4405600 -44.6003 -29.5639 -1.61525 -29.5639 -21.8155 -13.329 -1.61518 -13.329 90.3628 GPRESSAVG: 4405600 -44.8898 -31.0775 -2.76262 -28.499 -21.977 -13.4488 1.72906 -12.8878 91.2958 TIMING: 4405600 CPU: 13236.3, 0.00308081/step Wall: 13236.3, 0.00308081/step, 0.508676 hours remaining, 209.195312 MB of memory in use. ENERGY: 4405600 734.5897 2002.9205 1944.3594 111.2058 -206092.2448 17725.0646 0.0000 0.0000 34254.9319 -149319.1729 299.1568 -183574.1048 -149220.0982 298.9062 -16.1382 15.8301 558096.2530 7.9823 8.1430 PRESSURE: 4405800 186.472 -62.2129 11.4406 -62.2132 -11.7113 -168.345 11.4397 -168.346 -88.7887 GPRESSURE: 4405800 184.361 -60.0219 16.1715 -74.163 7.23803 -117.805 5.79987 -42.8568 -3.57136 PRESSAVG: 4405800 2.21979 64.3187 -29.6747 64.3186 -22.5244 20.4183 -29.6748 20.4183 44.8449 GPRESSAVG: 4405800 1.52423 63.6117 -30.5999 65.271 -21.438 21.7341 -30.9018 19.7829 44.2402 TIMING: 4405800 CPU: 13236.9, 0.00305204/step Wall: 13236.9, 0.00305204/step, 0.503756 hours remaining, 209.195312 MB of memory in use. ENERGY: 4405800 700.4417 2102.4979 1948.6272 114.0112 -206242.3202 17927.2549 0.0000 0.0000 34086.9602 -149362.5270 297.6899 -183449.4872 -149267.4132 299.5399 28.6574 62.6758 558319.6332 8.1801 8.1088 PRESSURE: 4406000 9.64589 -50.5575 -57.9267 -50.5578 -118.305 -12.8106 -57.9262 -12.8108 -211.968 GPRESSURE: 4406000 -10.3894 -77.8862 -66.7704 33.9434 -65.0726 -56.5953 -164.781 25.056 -134.947 PRESSAVG: 4406000 -30.8554 21.2896 10.9399 21.2897 50.7982 8.49052 10.9398 8.49059 -5.07193 GPRESSAVG: 4406000 -30.6635 20.5331 12.9418 19.9899 51.3565 5.59623 10.6055 8.03063 -5.7695 TIMING: 4406000 CPU: 13237.5, 0.0030584/step Wall: 13237.5, 0.0030584/step, 0.504637 hours remaining, 209.312500 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: 4406000 791.3796 2166.1126 1945.2395 116.0389 -206277.6380 17811.4669 0.0000 0.0000 34117.8054 -149329.5952 297.9593 -183447.4006 -149232.4329 298.6141 -106.8757 -70.1362 557714.0262 4.9570 4.9745 PRESSURE: 4406200 -111.756 87.1146 -147.009 87.1148 -158.037 109.981 -147.008 109.981 -23.9894 GPRESSURE: 4406200 -96.478 129.907 -160.648 67.6306 -61.841 36.2718 -113.408 218.649 -31.2699 PRESSAVG: 4406200 -62.8965 1.04964 -16.9808 1.04964 55.6266 38.559 -16.9808 38.559 28.9218 GPRESSAVG: 4406200 -62.881 2.49953 -19.4664 0.576771 54.6181 40.3114 -18.0216 38.1588 30.1927 TIMING: 4406200 CPU: 13238.1, 0.00303125/step Wall: 13238.1, 0.00303125/step, 0.499988 hours remaining, 209.312500 MB of memory in use. ENERGY: 4406200 732.2915 2118.8075 1970.7732 122.2224 -206255.3692 17814.9102 0.0000 0.0000 34069.9756 -149426.3887 297.5416 -183496.3644 -149330.6806 298.7047 -97.9276 -63.1963 558805.4850 7.2173 7.3099 PRESSURE: 4406400 -85.6813 -113.617 -92.3302 -113.617 -70.7322 -139.622 -92.3306 -139.621 50.3865 GPRESSURE: 4406400 -90.5977 -92.9386 -126.563 -186.619 12.6862 -151.192 -44.3554 -54.8372 69.5369 PRESSAVG: 4406400 -62.015 -21.4854 -35.8121 -21.4853 2.1672 -18.6539 -35.8121 -18.6539 8.95249 GPRESSAVG: 4406400 -60.6809 -23.9682 -35.7721 -21.7168 2.21999 -17.911 -34.1758 -18.0664 7.20004 TIMING: 4406400 CPU: 13238.8, 0.00304582/step Wall: 13238.8, 0.00304582/step, 0.502222 hours remaining, 209.312500 MB of memory in use. ENERGY: 4406400 765.2300 2129.2204 1948.9462 110.8021 -206347.2298 17775.1979 0.0000 0.0000 34199.3962 -149418.4371 298.6718 -183617.8333 -149328.5300 298.3033 -35.3423 -2.7916 558703.7163 -16.9651 -17.0870 PRESSURE: 4406600 54.1558 -87.4439 114.787 -87.4429 10.6046 -83.9667 114.787 -83.9665 -129.288 GPRESSURE: 4406600 49.4786 -34.3619 123.312 -47.1538 58.7575 -45.7975 113.698 -119.289 -75.0033 PRESSAVG: 4406600 21.591 18.3806 12.7647 18.3805 25.0071 -55.6416 12.7647 -55.6415 -42.5501 GPRESSAVG: 4406600 20.8325 20.964 13.976 18.1393 25.6758 -57.6032 12.1169 -55.2389 -42.4871 TIMING: 4406600 CPU: 13239.4, 0.00306279/step Wall: 13239.4, 0.00306279/step, 0.504851 hours remaining, 209.312500 MB of memory in use. ENERGY: 4406600 764.6727 2110.3553 1955.0355 113.6817 -206690.6071 18012.5676 0.0000 0.0000 34331.3025 -149402.9919 299.8238 -183734.2944 -149312.3176 299.0677 -21.5093 11.0776 557368.7102 1.3493 1.3404 PRESSURE: 4406800 -150.422 -77.0466 -94.5305 -77.0473 -196.791 66.1804 -94.5305 66.1805 96.1621 GPRESSURE: 4406800 -104.418 -107.052 -111.432 -6.72751 -184.139 111.932 -38.9022 107.443 147.095 PRESSAVG: 4406800 50.017 -47.2665 15.1304 -47.2665 -38.0328 -0.749385 15.1303 -0.749503 -35.121 GPRESSAVG: 4406800 49.8128 -48.3385 14.5575 -45.5033 -38.88 0.529444 14.2635 -1.8762 -34.3132 TIMING: 4406800 CPU: 13240, 0.00308028/step Wall: 13240, 0.00308028/step, 0.507562 hours remaining, 209.312500 MB of memory in use. ENERGY: 4406800 751.9184 2166.9630 1937.7343 117.5995 -206282.5710 17610.1988 0.0000 0.0000 34342.2134 -149355.9435 299.9191 -183698.1570 -149264.9076 298.9955 -83.6838 -47.1540 557750.9249 -7.7123 -7.7935 PRESSURE: 4407000 6.22927 59.2515 -72.146 59.2527 5.09342 -66.5477 -72.146 -66.5483 20.0144 GPRESSURE: 4407000 -3.39073 -4.2931 -101.778 99.6848 -7.21852 -66.4781 -28.1952 -103.822 130.836 PRESSAVG: 4407000 -27.3102 -16.1918 -9.57681 -16.1918 -16.911 21.8473 -9.57685 21.8474 -15.3996 GPRESSAVG: 4407000 -26.6935 -18.1094 -8.02772 -15.6408 -17.3711 21.0407 -9.38331 21.4216 -15.6287 TIMING: 4407000 CPU: 13240.6, 0.00305416/step Wall: 13240.6, 0.00305416/step, 0.503088 hours remaining, 209.312500 MB of memory in use. ENERGY: 4407000 732.0531 2095.9037 1946.4927 104.6713 -206452.8989 17919.5758 0.0000 0.0000 34493.1441 -149161.0582 301.2372 -183654.2022 -149063.3517 299.5003 10.4457 40.0757 557886.0041 -19.8736 -19.8978 PRESSURE: 4407200 140.01 -160.845 -123.692 -160.844 49.8776 57.1046 -123.692 57.1045 -203.71 GPRESSURE: 4407200 201.865 -252.209 -99.674 -106.586 66.2788 16.8113 -117.902 85.5362 -169.722 PRESSAVG: 4407200 16.1789 -36.8237 1.72923 -36.8236 20.0392 13.8311 1.72921 13.831 -53.4346 GPRESSAVG: 4407200 16.145 -35.1356 1.11851 -39.8215 19.3603 15.0694 2.02046 15.3891 -52.3279 TIMING: 4407200 CPU: 13241.2, 0.00305021/step Wall: 13241.2, 0.00305021/step, 0.502268 hours remaining, 209.312500 MB of memory in use. ENERGY: 4407200 741.9965 2112.3382 1940.6192 116.1134 -205834.7093 17693.7116 0.0000 0.0000 34349.8559 -148880.0746 299.9858 -183229.9304 -148782.3155 299.8423 -4.6075 32.8072 557878.9781 -5.7388 -5.6075 PRESSURE: 4407400 -119.281 23.3819 -43.8814 23.3826 101.793 35.9214 -43.8812 35.9208 66.9741 GPRESSURE: 4407400 -42.4181 48.7806 -80.1771 -43.4243 192.084 53.2873 -68.7584 70.9809 -11.0284 PRESSAVG: 4407400 4.76541 -36.7742 0.130115 -36.7742 54.9979 -15.2094 0.130105 -15.2094 -33.1417 GPRESSAVG: 4407400 4.18998 -36.6234 -0.177925 -35.8111 56.0953 -15.8778 0.347291 -16.2356 -33.9084 TIMING: 4407400 CPU: 13241.8, 0.00303755/step Wall: 13241.8, 0.00303755/step, 0.500015 hours remaining, 209.312500 MB of memory in use. ENERGY: 4407400 730.8355 2113.8944 1976.3237 107.1864 -205829.7590 17787.8101 0.0000 0.0000 34323.6873 -148790.0215 299.7573 -183113.7088 -148697.4389 300.4111 16.4956 46.2125 558281.3387 8.8739 8.7923 PRESSURE: 4407600 -87.9157 9.919 28.7372 9.91934 253.357 -13.0305 28.7376 -13.0321 0.135112 GPRESSURE: 4407600 -40.1012 -12.1418 38.4518 12.5141 290.297 -38.1234 -5.85763 49.6564 18.8305 PRESSAVG: 4407600 -69.7274 93.0424 -42.1499 93.0424 9.50957 32.8794 -42.1499 32.8795 35.4263 GPRESSAVG: 4407600 -68.8931 94.0415 -42.4561 92.921 8.46232 34.8345 -41.5417 33.2652 35.9 TIMING: 4407600 CPU: 13242.4, 0.00302044/step Wall: 13242.4, 0.00302044/step, 0.497031 hours remaining, 209.312500 MB of memory in use. ENERGY: 4407600 712.3788 2123.9590 1960.6318 109.4829 -205718.3377 17677.3777 0.0000 0.0000 34240.7256 -148893.7820 299.0328 -183134.5076 -148794.0865 300.1601 55.1921 89.6754 557434.5926 -8.2639 -8.1769 PRESSURE: 4407800 -75.7504 162.262 17.9718 162.263 -2.51533 168.293 17.9704 168.294 -43.1691 GPRESSURE: 4407800 -53.4752 132.955 -30.1989 138.474 44.9302 149.107 68.7579 120.838 -23.3967 PRESSAVG: 4407800 -55.4224 -7.5141 24.9144 -7.51403 50.971 1.72999 24.9144 1.73002 61.6581 GPRESSAVG: 4407800 -57.5818 -9.98064 24.6431 -5.87773 52.3478 0.0160873 23.9667 2.34764 61.7394 TIMING: 4407800 CPU: 13243, 0.00303577/step Wall: 13243, 0.00303577/step, 0.499384 hours remaining, 209.312500 MB of memory in use. ENERGY: 4407800 734.1497 2114.4863 1923.6615 110.3464 -205965.5120 17687.0258 0.0000 0.0000 34435.2032 -148960.6392 300.7312 -183395.8424 -148867.4640 300.4951 -40.4783 -10.6472 558169.1601 19.0689 18.8351 PRESSURE: 4408000 -126.162 -50.911 -84.299 -50.9096 82.9701 193.754 -84.2988 193.756 -84.4316 GPRESSURE: 4408000 -98.3957 -28.8862 -52.732 -47.5353 119.575 157.588 -123.711 261.176 -46.6516 PRESSAVG: 4408000 -67.9272 6.37006 -2.77284 6.37013 -30.0603 -20.594 -2.77277 -20.594 39.3309 GPRESSAVG: 4408000 -66.5216 6.47333 -2.45396 6.99859 -30.8677 -20.8332 -2.74991 -21.4314 37.9869 TIMING: 4408000 CPU: 13243.6, 0.00300813/step Wall: 13243.6, 0.00300813/step, 0.494671 hours remaining, 209.312500 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: 4408000 739.5607 2049.5928 1937.0136 101.2585 -205727.3503 17743.0842 0.0000 0.0000 34235.5889 -148921.2516 298.9879 -183156.8406 -148827.5836 299.3160 -42.5411 -8.4907 558555.2077 -19.5522 -19.8008 PRESSURE: 4408200 112.211 -5.86395 -123.394 -5.86408 27.8249 -53.1576 -123.395 -53.1572 -61.5153 GPRESSURE: 4408200 127.663 73.0672 -117.76 -17.0739 110.886 -67.7219 -71.6821 -114.583 -52.9717 PRESSAVG: 4408200 -39.8508 7.79815 3.348 7.79816 -53.2942 -26.2259 3.34799 -26.226 59.2699 GPRESSAVG: 4408200 -41.1178 10.1631 4.8095 6.96516 -52.6593 -28.07 2.93602 -25.3099 60.2647 TIMING: 4408200 CPU: 13244.2, 0.00301894/step Wall: 13244.2, 0.00301894/step, 0.496281 hours remaining, 209.312500 MB of memory in use. ENERGY: 4408200 720.7395 2061.6235 1944.9079 105.9596 -205932.7958 17898.0655 0.0000 0.0000 34226.2729 -148975.2269 298.9066 -183201.4997 -148870.5439 299.5567 26.1735 61.8592 557596.6542 -11.2917 -11.1708 LDB: ============= START OF LOAD BALANCING ============== 13247.7 LDB: ============== END OF LOAD BALANCING =============== 13247.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13247.7 LDB: ============= START OF LOAD BALANCING ============== 13248 LDB: Largest compute 4820 load 0.023738 is 20.1% of average load 0.118106 LDB: Average compute 0.001736 is 1.5% of average load 0.118106 LDB: TIME 13248 LOAD: AVG 0.118106 MAX 0.219819 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.098 MB LDB: TIME 13248 LOAD: AVG 0.118106 MAX 0.219819 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.16 MB LDB: TIME 13248 LOAD: AVG 0.118106 MAX 0.219819 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.16 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13248 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13248 PRESSURE: 4408400 -152.22 232.423 81.1396 232.424 -39.6749 117.449 81.1398 117.45 67.3012 GPRESSURE: 4408400 -169.324 224.527 73.2302 154.524 -21.8751 158.404 17.5459 57.8721 163.765 PRESSAVG: 4408400 16.6702 49.2238 -12.0254 49.2238 19.0025 -33.5115 -12.0254 -33.5115 -7.19716 GPRESSAVG: 4408400 17.0741 49.1158 -11.6224 46.4952 17.9759 -31.0204 -13.0492 -35.3105 -7.23124 TIMING: 4408400 CPU: 13244.9, 0.00310504/step Wall: 13244.9, 0.00310504/step, 0.510262 hours remaining, 207.847656 MB of memory in use. ENERGY: 4408400 711.4009 2044.0045 1962.2344 122.0690 -205888.0196 17751.2331 0.0000 0.0000 34272.8090 -149024.2688 299.3130 -183297.0778 -148926.2668 299.2167 -41.5312 -9.1450 558147.2312 9.4918 9.2729 PRESSURE: 4408600 -189.252 55.8535 22.7425 55.8538 -93.3498 138.484 22.7435 138.485 -75.2699 GPRESSURE: 4408600 -183.097 89.6076 40.6642 70.569 -89.9403 209.045 -4.5103 141.665 14.2679 PRESSAVG: 4408600 -79.0232 -13.7568 -2.68473 -13.7569 27.702 10.0383 -2.68475 10.0384 26.6066 GPRESSAVG: 4408600 -78.2591 -14.1034 -2.63989 -11.3233 27.9487 10.3473 -0.939824 11.6049 25.4353 TIMING: 4408600 CPU: 13245.5, 0.00304021/step Wall: 13245.5, 0.00304021/step, 0.499438 hours remaining, 208.050781 MB of memory in use. ENERGY: 4408600 727.0739 2103.0724 1932.3958 108.3707 -205738.9129 17575.6632 0.0000 0.0000 34357.4467 -148934.8902 300.0521 -183292.3369 -148838.9209 299.5065 -119.2904 -86.2566 559724.4905 -8.2382 -8.2917 PRESSURE: 4408800 -21.9513 21.0963 -72.854 21.0954 -63.5471 -36.9504 -72.8531 -36.9505 2.29528 GPRESSURE: 4408800 -3.62702 64.9953 -89.0503 -15.1571 13.5751 13.8407 -153.977 -36.7603 6.41436 PRESSAVG: 4408800 -33.9488 -24.112 -4.48493 -24.112 36.9421 -24.0762 -4.48501 -24.0763 24.5784 GPRESSAVG: 4408800 -34.261 -23.6531 -6.01461 -21.6654 37.1707 -23.8182 -5.21373 -26.5577 25.303 TIMING: 4408800 CPU: 13246.1, 0.00304428/step Wall: 13246.1, 0.00304428/step, 0.499939 hours remaining, 208.050781 MB of memory in use. ENERGY: 4408800 729.3841 2082.9963 1942.1310 119.3264 -205520.9079 17620.1802 0.0000 0.0000 34180.6824 -148846.2075 298.5084 -183026.8899 -148749.6337 299.3299 -27.7344 5.4541 558483.5305 9.1906 9.4043 PRESSURE: 4409000 13.9791 48.7511 38.3606 48.751 42.8152 147.029 38.3606 147.029 -45.5541 GPRESSURE: 4409000 116.202 46.7185 74.3159 94.5074 53.0214 139.8 31.7778 125.174 -54.291 PRESSAVG: 4409000 41.7606 -26.6538 27.3115 -26.6539 -4.80978 20.1733 27.3114 20.1733 -42.0214 GPRESSAVG: 4409000 42.4391 -23.3022 28.8063 -29.9607 -6.15538 19.4473 27.217 21.1929 -41.9745 TIMING: 4409000 CPU: 13246.7, 0.00303831/step Wall: 13246.7, 0.00303831/step, 0.49879 hours remaining, 208.050781 MB of memory in use. ENERGY: 4409000 792.2679 2084.2181 1943.9166 113.1582 -205933.0388 17775.6021 0.0000 0.0000 34301.2362 -148922.6397 299.5612 -183223.8760 -148827.7078 299.1960 3.7467 38.3109 557420.3192 -1.6902 -1.8969 PRESSURE: 4409200 -123.39 -40.3683 137.958 -40.3685 -229.414 173.316 137.957 173.316 -200.175 GPRESSURE: 4409200 -45.7429 20.5207 196.639 -68.2008 -199.327 167.694 74.3868 187.662 -202.062 PRESSAVG: 4409200 43.0536 6.8696 9.88248 6.86947 -11.5918 47.8369 9.88251 47.837 37.8436 GPRESSAVG: 4409200 41.6794 2.92059 9.33788 9.24973 -10.0449 49.8527 10.2261 47.057 38.3136 TIMING: 4409200 CPU: 13247.3, 0.00305857/step Wall: 13247.3, 0.00305857/step, 0.501945 hours remaining, 208.050781 MB of memory in use. ENERGY: 4409200 793.6721 2050.7929 1968.3087 116.3868 -205594.2229 17432.6350 0.0000 0.0000 34326.9736 -148905.4537 299.7860 -183232.4274 -148802.0969 300.0826 -184.3262 -149.0437 557598.3870 23.1018 23.3160 PRESSURE: 4409400 93.2907 38.8115 40.1149 38.8118 -53.8492 -32.4121 40.1147 -32.4133 43.6823 GPRESSURE: 4409400 140.65 49.2067 66.3023 24.8333 14.9344 -69.025 20.7177 -31.6529 27.8841 PRESSAVG: 4409400 9.55397 9.61329 55.9418 9.61329 -3.04402 9.17086 55.9418 9.17077 -21.5466 GPRESSAVG: 4409400 9.61528 12.9399 56.5118 7.15154 -2.3067 5.54427 56.9491 12.9125 -22.5124 TIMING: 4409400 CPU: 13247.9, 0.00306255/step Wall: 13247.9, 0.00306255/step, 0.502429 hours remaining, 208.050781 MB of memory in use. ENERGY: 4409400 722.7373 2071.7429 1951.1728 96.5005 -205705.0196 17643.4213 0.0000 0.0000 34368.7850 -148850.6598 300.1511 -183219.4448 -148751.3857 300.0120 27.7079 61.1562 555649.2357 -5.0122 -5.0679 PRESSURE: 4409600 40.7851 -98.6676 -107.495 -98.6686 81.5555 -78.8784 -107.496 -78.8775 -111.517 GPRESSURE: 4409600 55.9482 -227.645 -114.63 93.415 107.075 -114.787 -158.236 11.6569 -61.6137 PRESSAVG: 4409600 -53.0944 -47.1297 -16.3635 -47.1298 63.1156 8.70131 -16.3635 8.70122 -12.5033 GPRESSAVG: 4409600 -53.1233 -48.9326 -18.6191 -45.9494 61.4812 10.6871 -16.8724 7.55029 -11.1199 TIMING: 4409600 CPU: 13248.5, 0.00305768/step Wall: 13248.5, 0.00305768/step, 0.50146 hours remaining, 208.050781 MB of memory in use. ENERGY: 4409600 744.2193 2088.2906 1917.7595 87.6536 -206094.4004 17916.5991 0.0000 0.0000 34357.5759 -148982.3025 300.0533 -183339.8784 -148888.7879 299.9891 3.6080 33.8031 557601.8622 -0.8274 -0.9206 PRESSURE: 4409800 41.0702 -47.4686 8.44454 -47.4688 -224.298 -47.5073 8.44522 -47.5075 116.667 GPRESSURE: 4409800 51.7039 5.21153 105.396 -102.322 -142.906 -7.97271 -86.0122 -36.1672 120.395 PRESSAVG: 4409800 10.0024 -60.4501 15.2053 -60.45 -2.92389 -6.93877 15.2054 -6.93874 20.8619 GPRESSAVG: 4409800 10.7008 -60.4012 15.0515 -59.8313 -2.5614 -6.6338 16.9871 -8.06206 20.5728 TIMING: 4409800 CPU: 13249.1, 0.00302756/step Wall: 13249.1, 0.00302756/step, 0.496352 hours remaining, 208.050781 MB of memory in use. ENERGY: 4409800 787.1762 2067.1395 1905.2625 106.5137 -206094.3220 17928.4454 0.0000 0.0000 34292.6459 -149007.1388 299.4862 -183299.7847 -148916.4186 299.5985 -22.1869 9.7311 559049.9984 9.3135 9.5707 PRESSURE: 4410000 35.0967 181.44 157.792 181.441 89.8847 7.92906 157.792 7.92845 189.96 GPRESSURE: 4410000 103.983 221.049 99.8101 141.469 124.066 7.71996 121.296 8.83961 188.685 PRESSAVG: 4410000 -24.0713 -3.97188 24.3653 -3.97186 -30.0648 -6.07002 24.3654 -6.07008 25.6036 GPRESSAVG: 4410000 -23.829 -4.13099 24.3762 -5.95635 -29.5496 -6.17827 22.6409 -4.07274 25.1887 TIMING: 4410000 CPU: 13249.7, 0.00303218/step Wall: 13249.7, 0.00303218/step, 0.49694 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: 4410000 752.1153 2089.6158 1931.2191 115.5682 -206315.2236 18072.4333 0.0000 0.0000 34403.2985 -148950.9733 300.4526 -183354.2718 -148853.4731 299.6462 104.9805 138.9112 559385.3342 -9.5108 -9.3966 PRESSURE: 4410200 135.738 108.752 -17.7271 108.751 0.0653261 -140.069 -17.7265 -140.069 17.4681 GPRESSURE: 4410200 161.083 192.13 -0.799281 102.595 0.540399 -120.703 -76.3075 -136.846 86.604 PRESSAVG: 4410200 31.3988 10.982 -24.4689 10.9819 -67.2815 -25.7305 -24.4689 -25.7304 59.145 GPRESSAVG: 4410200 30.4315 10.0999 -23.4777 12.9101 -66.5112 -24.6739 -24.549 -28.8694 59.7538 TIMING: 4410200 CPU: 13250.3, 0.00304241/step Wall: 13250.3, 0.00304241/step, 0.498449 hours remaining, 208.050781 MB of memory in use. ENERGY: 4410200 737.0823 2095.8873 1917.0289 126.5483 -206053.0492 17879.2757 0.0000 0.0000 34358.5494 -148938.6772 300.0618 -183297.2267 -148843.0091 300.0894 51.0903 82.7426 557081.8422 7.7541 7.8914 PRESSURE: 4410400 -225.784 -9.6749 68.1438 -9.67629 -512.755 -9.02379 68.1434 -9.02509 -211.681 GPRESSURE: 4410400 -184.183 -68.5269 23.4292 -20.8592 -415.83 10.4827 98.2111 -48.6811 -239.88 PRESSAVG: 4410400 30.9841 -18.1705 -11.2927 -18.1705 -53.4837 28.0953 -11.2927 28.0953 65.6187 GPRESSAVG: 4410400 32.827 -20.0517 -10.0656 -17.6016 -54.9704 25.4177 -11.5071 30.7887 65.2758 TIMING: 4410400 CPU: 13250.9, 0.0030609/step Wall: 13250.9, 0.0030609/step, 0.501308 hours remaining, 208.050781 MB of memory in use. ENERGY: 4410400 749.2548 2110.2010 1931.9737 106.3989 -205490.3347 17192.3887 0.0000 0.0000 34482.0012 -148918.1163 301.1399 -183400.1175 -148820.8479 300.2505 -316.7401 -279.9641 557308.3699 14.3731 14.3775 PRESSURE: 4410600 280.406 -25.4631 191.433 -25.463 -50.5574 73.091 191.433 73.0916 -251.741 GPRESSURE: 4410600 214.392 60.4641 152.44 -130.76 -17.1691 122.334 160.177 26.8218 -139.666 PRESSAVG: 4410600 16.8528 -39.5247 -29.8075 -39.5247 -59.6314 38.3083 -29.8075 38.3083 26.0964 GPRESSAVG: 4410600 15.8336 -38.2425 -29.9421 -39.8291 -58.7284 39.6768 -29.7445 36.8744 26.3183 TIMING: 4410600 CPU: 13251.6, 0.00305109/step Wall: 13251.6, 0.00305109/step, 0.499532 hours remaining, 208.050781 MB of memory in use. ENERGY: 4410600 742.7181 2092.3330 1952.0201 118.2757 -205632.9221 17464.0089 0.0000 0.0000 34434.1862 -148829.3801 300.7223 -183263.5664 -148730.8321 300.1548 -7.2974 19.1854 556611.1888 -5.5607 -5.5255 PRESSURE: 4410800 115.496 -63.0871 -53.3993 -63.0887 -254.803 55.2529 -53.3987 55.2526 -110.676 GPRESSURE: 4410800 123.351 -91.3776 29.157 -70.9439 -211.744 16.1812 -108.745 129.182 -59.7791 PRESSAVG: 4410800 70.8605 2.61054 -26.7347 2.61048 -32.9677 43.5039 -26.7346 43.5039 -22.8047 GPRESSAVG: 4410800 71.1443 3.15036 -26.9258 2.16207 -33.1233 42.9788 -28.8277 44.013 -22.8344 TIMING: 4410800 CPU: 13252.2, 0.00304547/step Wall: 13252.2, 0.00304547/step, 0.498441 hours remaining, 208.050781 MB of memory in use. ENERGY: 4410800 725.1192 2036.1965 1921.3449 104.3137 -205611.4090 17517.3338 0.0000 0.0000 34422.9627 -148884.1382 300.6243 -183307.1009 -148784.4143 300.9463 -83.3279 -49.3908 557200.7367 5.0294 5.0622 PRESSURE: 4411000 74.8035 -63.9256 -75.5836 -63.9251 -79.8739 -108.145 -75.5839 -108.146 -59.8906 GPRESSURE: 4411000 40.4599 22.141 -92.78 -57.0975 0.704822 -114.194 -74.9638 -39.478 -7.83543 PRESSAVG: 4411000 20.6635 -8.32445 34.0768 -8.32437 -9.69243 13.6101 34.0768 13.6102 -20.0029 GPRESSAVG: 4411000 20.5781 -7.73882 34.3933 -8.89085 -9.32671 15.3451 35.3695 13.2995 -20.2285 TIMING: 4411000 CPU: 13252.8, 0.0030271/step Wall: 13252.8, 0.0030271/step, 0.495267 hours remaining, 208.050781 MB of memory in use. ENERGY: 4411000 720.7126 2087.4100 1917.0273 107.8228 -206030.4417 17820.6130 0.0000 0.0000 34253.8437 -149123.0123 299.1473 -183376.8560 -149026.6893 300.4257 -21.6537 11.1098 557895.1065 -3.0106 -2.9924 PRESSURE: 4411200 -107.349 -114.261 134.28 -114.263 168.398 -43.9312 134.28 -43.9297 -187.772 GPRESSURE: 4411200 -94.9885 -106.098 112.973 -146.043 248.71 3.87755 94.3252 -153.676 -180.733 PRESSAVG: 4411200 112.548 29.5432 -18.8506 29.5432 2.47968 -45.6991 -18.8507 -45.699 -94.7846 GPRESSAVG: 4411200 113.01 28.7162 -20.2254 30.692 1.57887 -45.686 -17.7496 -47.1376 -94.5363 TIMING: 4411200 CPU: 13253.4, 0.00302885/step Wall: 13253.4, 0.00302885/step, 0.495386 hours remaining, 208.050781 MB of memory in use. ENERGY: 4411200 736.2631 2092.7689 1925.6752 111.1143 -205734.2937 17671.2139 0.0000 0.0000 34134.1769 -149063.0814 298.1023 -183197.2583 -148972.1031 299.9887 -42.2413 -9.0040 557418.8080 6.7477 6.6843 PRESSURE: 4411400 -26.2636 -18.0173 -145.629 -18.0167 138.45 4.16251 -145.629 4.15995 -198.085 GPRESSURE: 4411400 16.4801 12.863 -95.1094 93.5241 167.81 68.2035 -124.263 -47.6873 -153.352 PRESSAVG: 4411400 -13.7347 21.4917 -1.33711 21.4917 37.7052 -40.9212 -1.33712 -40.9212 -66.0925 GPRESSAVG: 4411400 -12.6164 23.076 -0.844628 18.4419 37.6769 -41.5857 -0.65148 -39.9973 -66.713 TIMING: 4411400 CPU: 13254, 0.00301182/step Wall: 13254, 0.00301182/step, 0.492432 hours remaining, 208.050781 MB of memory in use. ENERGY: 4411400 720.5778 2032.0131 1956.9361 112.7030 -205998.6956 17688.1931 0.0000 0.0000 34320.6954 -149167.5771 299.7312 -183488.2725 -149073.5868 299.6268 -28.6328 10.3127 556793.0911 -14.0407 -13.8842 PRESSURE: 4411600 83.9431 80.5065 -40.5007 80.5071 -244.044 77.0036 -40.4998 77.0034 -21.4847 GPRESSURE: 4411600 141.644 117.41 2.87295 9.11608 -225.135 105.9 -42.3436 61.3952 -3.27791 PRESSAVG: 4411600 54.537 -35.3457 -3.39547 -35.3456 -6.21129 10.9225 -3.39556 10.9224 -51.7994 GPRESSAVG: 4411600 53.5215 -34.0635 -3.5224 -35.5482 -6.30894 10.8203 -2.8563 10.5332 -50.8409 TIMING: 4411600 CPU: 13254.6, 0.00304932/step Wall: 13254.6, 0.00304932/step, 0.498394 hours remaining, 208.050781 MB of memory in use. ENERGY: 4411600 782.1970 2105.7430 1961.5006 115.8480 -206112.9651 17838.1131 0.0000 0.0000 34112.4856 -149197.0778 297.9128 -183309.5634 -149106.4708 299.5718 -60.5284 -28.9230 556536.7351 -1.1579 -1.2095 PRESSURE: 4411800 275.859 60.2333 -195.991 60.2331 -89.9356 45.8832 -195.991 45.8832 -356.181 GPRESSURE: 4411800 281.049 24.468 -138.503 34.2668 -26.5334 -11.1487 -180.854 16.1853 -334.918 PRESSAVG: 4411800 21.6972 23.7792 7.40247 23.7792 23.3398 55.4572 7.4025 55.4571 -91.973 GPRESSAVG: 4411800 21.879 22.8381 6.08157 23.9026 24.1472 53.9384 6.23278 55.8109 -93.1196 TIMING: 4411800 CPU: 13255.2, 0.00303755/step Wall: 13255.2, 0.00303755/step, 0.496302 hours remaining, 208.050781 MB of memory in use. ENERGY: 4411800 761.6433 2097.8415 1926.2559 120.7626 -206445.1065 17826.9991 0.0000 0.0000 34469.0552 -149242.5490 301.0268 -183711.6041 -149143.2946 299.5682 -56.7525 -26.8010 558540.6210 -15.6454 -15.6978 PRESSURE: 4412000 37.3997 -66.2227 -12.6356 -66.222 -49.4322 -26.5197 -12.6338 -26.5208 48.5309 GPRESSURE: 4412000 124.105 16.235 -64.636 -65.3932 -24.0683 -84.3446 47.4779 66.9265 51.4935 PRESSAVG: 4412000 10.3502 0.491826 -28.4441 0.491905 57.2467 22.8496 -28.444 22.8496 -80.4285 GPRESSAVG: 4412000 9.48642 -1.47878 -25.677 2.22942 57.4177 25.1418 -30.6248 23.0198 -79.4243 TIMING: 4412000 CPU: 13255.8, 0.00304227/step Wall: 13255.8, 0.00304227/step, 0.496904 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: 4412000 748.6068 2104.5114 1962.7993 118.7012 -206379.9218 17757.3089 0.0000 0.0000 34335.0326 -149352.9616 299.8564 -183687.9942 -149251.7191 299.4868 12.1661 50.5102 556212.4557 -4.2772 -4.1734 PRESSURE: 4412200 -100.206 154.191 -16.3327 154.189 -95.3079 -69.325 -16.3315 -69.3257 -206.087 GPRESSURE: 4412200 -73.5518 106.813 -16.9648 90.0905 -61.1134 -214.76 -37.7848 -38.4198 -169.553 PRESSAVG: 4412200 -2.27357 -24.7324 -25.4962 -24.7325 -12.5751 7.71347 -25.4962 7.71352 36.3178 GPRESSAVG: 4412200 -2.75473 -24.9791 -28.5584 -24.4477 -12.4201 6.25347 -22.8729 7.75532 36.6566 TIMING: 4412200 CPU: 13256.4, 0.00304647/step Wall: 13256.4, 0.00304647/step, 0.497421 hours remaining, 208.050781 MB of memory in use. ENERGY: 4412200 751.6848 2116.1340 1942.9863 109.1875 -206128.9554 17549.8129 0.0000 0.0000 34238.4863 -149420.6637 299.0132 -183659.1500 -149326.0778 299.0606 -133.8672 -101.4061 556733.9742 7.1564 7.1606 LDB: ============= START OF LOAD BALANCING ============== 13259.8 LDB: ============== END OF LOAD BALANCING =============== 13259.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13259.8 LDB: ============= START OF LOAD BALANCING ============== 13260.2 LDB: Largest compute 4820 load 0.021818 is 18.5% of average load 0.118127 LDB: Average compute 0.001732 is 1.5% of average load 0.118127 LDB: TIME 13260.2 LOAD: AVG 0.118127 MAX 0.214751 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.98 MB LDB: TIME 13260.2 LOAD: AVG 0.118127 MAX 0.214751 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.98 MB LDB: TIME 13260.2 LOAD: AVG 0.118127 MAX 0.214751 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.98 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13260.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13260.2 PRESSURE: 4412400 -1.3112 -16.2735 192.193 -16.2734 119.826 48.5115 192.193 48.5112 29.024 GPRESSURE: 4412400 81.3531 -14.4921 125.583 99.1479 98.4245 109.716 213.357 50.2803 82.3675 PRESSAVG: 4412400 -30.6464 35.5383 2.41633 35.5384 55.4113 -5.85234 2.41633 -5.85215 -1.49147 GPRESSAVG: 4412400 -28.9618 35.8425 3.90347 33.7188 54.7264 -6.61994 2.74103 -5.80196 -2.64413 TIMING: 4412400 CPU: 13257, 0.00310173/step Wall: 13257, 0.00310173/step, 0.506271 hours remaining, 207.785156 MB of memory in use. ENERGY: 4412400 729.5497 2094.9361 1959.6467 105.7225 -206309.3444 17880.4962 0.0000 0.0000 34160.1206 -149378.8726 298.3288 -183538.9932 -149273.3805 298.9987 49.1795 87.3817 555614.2225 7.7578 7.7068 PRESSURE: 4412600 72.9211 30.7741 -22.4893 30.7752 96.7233 -210.86 -22.4888 -210.861 222.595 GPRESSURE: 4412600 115.483 44.421 -96.5699 116.473 171.858 -185.404 23.168 -221.058 198.322 PRESSAVG: 4412600 26.8805 25.3243 -15.4079 25.3243 -72.2398 17.6865 -15.4078 17.6867 22.182 GPRESSAVG: 4412600 25.8029 24.9373 -14.8746 28.8609 -70.6213 19.9181 -15.201 16.814 22.1581 TIMING: 4412600 CPU: 13257.6, 0.00302445/step Wall: 13257.6, 0.00302445/step, 0.49349 hours remaining, 207.785156 MB of memory in use. ENERGY: 4412600 719.3345 2022.4098 1924.9341 111.9831 -206541.4459 17973.6482 0.0000 0.0000 34444.9634 -149344.1727 300.8164 -183789.1361 -149243.1525 299.3522 130.7464 161.8874 555261.8449 -7.7257 -7.5534 PRESSURE: 4412800 -117.86 64.6887 194.267 64.6888 -68.5448 -166.557 194.267 -166.558 -187.947 GPRESSURE: 4412800 -136.221 104.639 180.744 30.0633 -14.3663 -156.055 184.149 -33.7994 -110.098 PRESSAVG: 4412800 14.5035 16.0535 53.5677 16.0535 4.32625 9.04624 53.5676 9.04627 8.64956 GPRESSAVG: 4412800 15.8817 15.023 53.1963 14.3439 2.62269 7.57252 53.6272 10.3516 8.74608 TIMING: 4412800 CPU: 13258.2, 0.00302096/step Wall: 13258.2, 0.00302096/step, 0.492752 hours remaining, 207.785156 MB of memory in use. ENERGY: 4412800 735.4133 2037.4097 1958.7455 121.7462 -206157.7559 17649.4663 0.0000 0.0000 34308.6921 -149346.2828 299.6263 -183654.9749 -149246.5296 299.2647 -124.7842 -86.8951 557101.8958 9.1598 9.0835 PRESSURE: 4413000 -114.886 -22.2062 -23.2577 -22.2066 27.4217 18.9471 -23.2579 18.9488 24.7521 GPRESSURE: 4413000 -72.5308 41.473 -69.5677 -19.0943 37.6123 -14.8891 -9.84919 18.6199 64.1321 PRESSAVG: 4413000 52.785 -23.1223 3.86133 -23.1223 -70.2376 33.2813 3.86129 33.2813 -7.5592 GPRESSAVG: 4413000 52.9175 -21.1047 5.2114 -22.6424 -68.9938 33.8506 1.52121 32.9715 -8.4492 TIMING: 4413000 CPU: 13258.8, 0.00302825/step Wall: 13258.8, 0.00302825/step, 0.493773 hours remaining, 207.785156 MB of memory in use. ENERGY: 4413000 717.1838 2106.7900 1953.9702 124.7584 -206177.2138 17713.3349 0.0000 0.0000 34300.7434 -149260.4332 299.5569 -183561.1766 -149171.3586 298.6189 -20.9040 9.7379 557600.5805 -8.3373 -8.1752 PRESSURE: 4413200 -231.979 123.554 132.302 123.556 -20.8885 74.2427 132.302 74.2417 -115.587 GPRESSURE: 4413200 -189.963 129.793 184.278 201.31 40.8536 99.7764 133.777 81.1471 -136.849 PRESSAVG: 4413200 60.2614 110.633 22.7889 110.633 -81.001 -5.73347 22.7889 -5.7335 32.5644 GPRESSAVG: 4413200 60.3596 108.912 21.9407 111.218 -81.6383 -4.96663 24.5138 -5.13756 32.3289 TIMING: 4413200 CPU: 13259.5, 0.00303282/step Wall: 13259.5, 0.00303282/step, 0.49435 hours remaining, 207.785156 MB of memory in use. ENERGY: 4413200 732.2424 2070.7141 1919.8137 115.5477 -206276.2556 17736.9192 0.0000 0.0000 34281.9216 -149419.0970 299.3925 -183701.0186 -149322.9012 298.8017 -122.8181 -95.3195 558000.4051 3.9416 3.6834 PRESSURE: 4413400 -215.865 -25.3033 -88.931 -25.3036 11.0811 79.3692 -88.9313 79.37 36.3441 GPRESSURE: 4413400 -123.737 -6.06811 -72.551 -24.386 32.1278 112.861 -14.5544 -14.0278 19.6405 PRESSAVG: 4413400 84.1588 53.7842 8.92339 53.7843 -32.2924 52.0706 8.92331 52.0706 -11.6088 GPRESSAVG: 4413400 83.204 55.4102 10.1079 51.769 -33.372 51.8141 5.38379 50.262 -10.3216 TIMING: 4413400 CPU: 13260.1, 0.00303586/step Wall: 13260.1, 0.00303586/step, 0.494676 hours remaining, 207.785156 MB of memory in use. ENERGY: 4413400 764.8018 2097.8359 1964.5100 111.4427 -206213.5574 17777.9445 0.0000 0.0000 34137.4700 -149359.5527 298.1310 -183497.0226 -149259.0886 299.1341 -56.1467 -23.9896 557451.6044 13.4192 13.1701 PRESSURE: 4413600 -84.0134 51.7999 11.8826 51.7999 -10.5125 3.17344 11.8844 3.17258 -90.1835 GPRESSURE: 4413600 -4.71381 80.8868 62.7863 54.3517 -20.7454 56.3212 41.1931 -71.2719 -68.2117 PRESSAVG: 4413600 -22.692 45.2858 -49.0365 45.2858 -6.5275 37.8471 -49.0365 37.847 -13.1159 GPRESSAVG: 4413600 -21.692 46.4408 -51.0172 45.2954 -6.86015 38.8212 -45.3736 38.6421 -14.6327 TIMING: 4413600 CPU: 13260.7, 0.0030536/step Wall: 13260.7, 0.0030536/step, 0.497398 hours remaining, 207.785156 MB of memory in use. ENERGY: 4413600 771.3146 2118.7780 1959.2478 110.4171 -206415.6807 17866.2483 0.0000 0.0000 34157.3086 -149432.3662 298.3043 -183589.6748 -149336.8154 299.0801 -61.5698 -31.2237 557861.9334 -14.1118 -14.3950 PRESSURE: 4413800 423.146 6.17008 -68.8878 6.16935 254.588 51.7405 -68.8886 51.74 177.949 GPRESSURE: 4413800 477.202 -63.439 -8.60802 85.0167 297.158 -4.50258 -116.349 75.7808 173.382 PRESSAVG: 4413800 -11.4959 61.6599 -16.6751 61.6599 20.4258 5.60368 -16.6751 5.60364 1.95359 GPRESSAVG: 4413800 -12.3945 59.5072 -16.5582 62.2672 21.3201 3.28321 -16.3235 6.09375 1.5813 TIMING: 4413800 CPU: 13261.3, 0.00304504/step Wall: 13261.3, 0.00304504/step, 0.495834 hours remaining, 207.785156 MB of memory in use. ENERGY: 4413800 736.0402 2090.4000 1962.2333 111.3847 -206806.7498 18248.5990 0.0000 0.0000 34207.6377 -149450.4550 298.7438 -183658.0926 -149357.9556 298.5027 285.2278 315.9138 556540.6660 3.6278 3.5023 PRESSURE: 4414000 -108.761 -76.1997 -93.7001 -76.1998 -67.0819 137.899 -93.701 137.9 -148.405 GPRESSURE: 4414000 -89.3149 -82.3615 4.0715 -81.2282 -19.9524 53.0334 -58.866 237.475 -110.609 PRESSAVG: 4414000 -32.1525 19.8519 -36.1002 19.8519 4.03764 10.1731 -36.1003 10.1732 59.8507 GPRESSAVG: 4414000 -32.8424 18.5694 -35.3623 21.0065 3.54006 10.9167 -35.9401 9.14627 60.4994 TIMING: 4414000 CPU: 13261.9, 0.00304229/step Wall: 13261.9, 0.00304229/step, 0.495217 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: 4414000 786.0623 2125.4336 1938.8488 112.2405 -206020.9847 17633.6039 0.0000 0.0000 34053.2157 -149371.5799 297.3952 -183424.7956 -149281.5378 298.9871 -108.0827 -73.2922 558669.9183 10.5786 10.3990 PRESSURE: 4414200 -193.76 -9.36768 3.8998 -9.36838 203.931 44.8572 3.89846 44.8555 230.953 GPRESSURE: 4414200 -100.363 -56.3268 -19.8858 -10.1292 193.155 113.235 -76.5014 4.46557 239.597 PRESSAVG: 4414200 -109.238 -18.2896 2.37954 -18.2895 55.1841 -3.44594 2.37972 -3.44588 39.6318 GPRESSAVG: 4414200 -108.99 -17.5948 3.84899 -18.1015 55.7989 -4.90538 0.840342 -1.88952 38.6141 TIMING: 4414200 CPU: 13262.5, 0.00305422/step Wall: 13262.5, 0.00305422/step, 0.496989 hours remaining, 207.785156 MB of memory in use. ENERGY: 4414200 745.0960 2081.4301 1933.6405 124.8611 -206623.4263 17919.1457 0.0000 0.0000 34315.1937 -149504.0593 299.6831 -183819.2530 -149404.8252 298.7147 80.3748 110.7964 557103.8311 -4.8075 -4.8592 PRESSURE: 4414400 137.606 -98.8997 37.7825 -98.8981 -72.8744 -128.039 37.7823 -128.04 -182.117 GPRESSURE: 4414400 195.188 -109.026 9.85009 -50.3526 -59.3033 -47.5523 43.623 -101.007 -161.676 PRESSAVG: 4414400 -58.2063 -37.2465 40.6301 -37.2465 69.8264 19.9549 40.6301 19.9549 15.1281 GPRESSAVG: 4414400 -57.5754 -34.5171 41.8926 -41.3701 67.3757 22.4178 40.6966 19.2751 16.6096 TIMING: 4414400 CPU: 13263.1, 0.00304406/step Wall: 13263.1, 0.00304406/step, 0.495167 hours remaining, 207.785156 MB of memory in use. ENERGY: 4414400 769.3998 2111.1989 1951.0971 148.3196 -206665.7230 17967.9157 0.0000 0.0000 34394.7733 -149323.0185 300.3781 -183717.7918 -149223.7659 299.3841 -39.1284 -8.5970 556625.4501 8.9161 8.8033 PRESSURE: 4414600 6.85741 -71.1418 -81.3147 -71.1411 -243.844 -76.8269 -81.3158 -76.8265 37.1396 GPRESSURE: 4414600 -12.0117 -115.44 -53.1562 -74.0597 -152.381 -21.7608 -209.735 -220.778 71.5591 PRESSAVG: 4414600 2.41526 -111.411 -6.30095 -111.411 -74.0055 27.2931 -6.30092 27.293 59.3789 GPRESSAVG: 4414600 1.78069 -112.047 -8.81987 -108.752 -72.4258 24.4589 -5.78385 28.5816 58.2771 TIMING: 4414600 CPU: 13263.7, 0.00304229/step Wall: 13263.7, 0.00304229/step, 0.49471 hours remaining, 207.785156 MB of memory in use. ENERGY: 4414600 741.1820 2130.2963 1938.4362 116.8178 -205952.1706 17722.2000 0.0000 0.0000 34177.2359 -149126.0024 298.4783 -183303.2382 -149036.8559 299.5554 -66.6156 -30.9445 560442.2305 -4.0704 -4.1227 PRESSURE: 4414800 -187.843 -60.8829 71.0308 -60.8832 -133.272 111.014 71.0291 111.015 233.14 GPRESSURE: 4414800 -151.581 -71.002 128.924 -49.8894 -159.901 136.659 139.661 135.583 319.304 PRESSAVG: 4414800 -16.2378 -16.8572 -23.5266 -16.8572 -11.3542 37.6912 -23.5266 37.6912 60.1858 GPRESSAVG: 4414800 -15.2209 -17.3724 -21.8329 -18.5107 -11.3517 39.4971 -24.2572 36.3645 59.0543 TIMING: 4414800 CPU: 13264.3, 0.0030547/step Wall: 13264.3, 0.0030547/step, 0.496559 hours remaining, 207.785156 MB of memory in use. ENERGY: 4414800 734.8966 2124.8722 1929.2961 115.1016 -206249.3394 17872.9015 0.0000 0.0000 34448.0913 -149024.1801 300.8437 -183472.2714 -148916.3720 299.9213 -29.3247 2.6073 558983.6503 10.8646 10.8272 PRESSURE: 4415000 -51.0163 -72.7325 -144.268 -72.7325 57.166 -74.8621 -144.269 -74.8618 110.354 GPRESSURE: 4415000 -9.9086 -117.259 -116.496 2.20634 132.661 -29.3889 -95.8117 -65.5138 96.9815 PRESSAVG: 4415000 -34.2405 -20.8319 34.0741 -20.8318 -30.8155 37.4303 34.0741 37.4302 16.7285 GPRESSAVG: 4415000 -35.0123 -21.4974 33.1614 -18.3983 -30.439 39.8448 35.4853 35.985 16.6646 TIMING: 4415000 CPU: 13264.9, 0.00305152/step Wall: 13264.9, 0.00305152/step, 0.495872 hours remaining, 207.785156 MB of memory in use. ENERGY: 4415000 740.9632 2118.2533 1945.5163 120.0566 -206541.2525 18010.4901 0.0000 0.0000 34493.7309 -149112.2420 301.2423 -183605.9729 -149017.6773 299.5427 38.8347 73.2445 557758.4641 -16.1092 -16.2622 PRESSURE: 4415200 -127.647 -48.1139 72.8667 -48.1142 70.8237 -106.831 72.8685 -106.831 140.796 GPRESSURE: 4415200 -83.1964 -91.0591 87.0781 -73.652 58.5631 -114.444 91.8716 -102.757 209.271 PRESSAVG: 4415200 -66.4618 -8.84765 9.79647 -8.84769 74.0737 -42.8957 9.79653 -42.8958 20.3229 GPRESSAVG: 4415200 -66.8744 -9.43777 12.0938 -10.1582 73.6642 -44.8531 9.29324 -42.7383 20.6476 TIMING: 4415200 CPU: 13265.5, 0.00305559/step Wall: 13265.5, 0.00305559/step, 0.496364 hours remaining, 207.785156 MB of memory in use. ENERGY: 4415200 752.6632 2089.0814 1946.9928 112.5356 -206264.3226 17930.3715 0.0000 0.0000 34103.0048 -149329.6732 297.8300 -183432.6781 -149234.8283 298.7367 27.9911 61.5457 557306.5872 9.3116 9.1458 PRESSURE: 4415400 137.465 53.7353 -43.0964 53.7355 112.888 1.97738 -43.0953 1.97691 -11.8665 GPRESSURE: 4415400 158.104 32.6561 39.3393 64.5557 170.982 -49.3 -58.4128 -53.9546 17.1743 PRESSAVG: 4415400 -65.6788 -21.6046 20.6489 -21.6046 -12.0073 -3.92291 20.649 -3.92302 12.4373 GPRESSAVG: 4415400 -65.9907 -21.0005 20.3155 -20.3212 -12.4986 -2.8884 19.8374 -3.52742 13.1184 TIMING: 4415400 CPU: 13266.2, 0.00305374/step Wall: 13266.2, 0.00305374/step, 0.495893 hours remaining, 207.785156 MB of memory in use. ENERGY: 4415400 755.7721 2124.1767 1970.9935 116.1951 -206074.3392 17801.3991 0.0000 0.0000 34044.6842 -149261.1185 297.3207 -183305.8028 -149159.9753 298.5383 79.4954 115.4203 556720.6364 -21.7496 -21.7903 PRESSURE: 4415600 4.96417 62.1464 43.6145 62.1463 -68.2754 104.66 43.6156 104.661 -200.63 GPRESSURE: 4415600 -39.2929 59.7533 83.3482 137.425 -0.555221 82.6964 13.5029 145.923 -124.384 PRESSAVG: 4415600 -43.4395 -30.5486 -6.62255 -30.5486 27.1375 12.4278 -6.62258 12.4278 24.8109 GPRESSAVG: 4415600 -43.5435 -30.5395 -8.63088 -31.2651 26.2383 11.2727 -4.59775 11.37 25.4444 TIMING: 4415600 CPU: 13266.8, 0.00302337/step Wall: 13266.8, 0.00302337/step, 0.490793 hours remaining, 207.785156 MB of memory in use. ENERGY: 4415600 776.2516 2112.7690 1935.9988 123.7642 -206121.7415 17780.4886 0.0000 0.0000 34311.5193 -149080.9501 299.6510 -183392.4694 -148981.5329 299.5786 -87.9804 -54.7441 556756.5034 2.8363 2.7131 PRESSURE: 4415800 124.873 -139.882 -42.3376 -139.881 30.3633 1.12787 -42.3387 1.12766 -18.9434 GPRESSURE: 4415800 165.091 -31.8051 -16.4692 -124.455 105.705 -26.8595 -25.0477 3.31829 -41.9401 PRESSAVG: 4415800 7.58812 -16.7608 13.9644 -16.7607 10.3075 22.1491 13.9644 22.149 -27.0966 GPRESSAVG: 4415800 8.7097 -15.9009 13.7053 -17.9565 10.5645 21.0431 13.0994 25.0881 -28.2026 TIMING: 4415800 CPU: 13267.4, 0.00304145/step Wall: 13267.4, 0.00304145/step, 0.49356 hours remaining, 207.785156 MB of memory in use. ENERGY: 4415800 771.9731 2038.6168 1931.5495 120.1949 -206026.5351 17759.9156 0.0000 0.0000 34288.7829 -149115.5024 299.4525 -183404.2852 -149018.5588 299.6300 45.4310 76.2854 557006.1412 -3.0670 -2.9761 PRESSURE: 4416000 168.327 -68.6409 -54.7852 -68.6411 234.409 -230.801 -54.7854 -230.802 -86.386 GPRESSURE: 4416000 171.838 -103.632 -99.9459 -100.635 244.02 -179.244 -97.4721 -213.879 -3.62923 PRESSAVG: 4416000 26.8395 -29.4109 -43.5883 -29.4108 4.26825 3.13301 -43.5882 3.13309 -48.452 GPRESSAVG: 4416000 26.1745 -29.4866 -45.3919 -29.6189 5.43514 4.07683 -43.9731 1.03119 -48.9931 TIMING: 4416000 CPU: 13268, 0.00306023/step Wall: 13268, 0.00306023/step, 0.496438 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: 4416000 718.8190 2087.0159 1971.8174 119.9357 -206337.0939 17909.2484 0.0000 0.0000 34456.6461 -149073.6114 300.9185 -183530.2575 -148982.1564 299.1555 105.4500 137.4095 557869.2606 -5.7814 -5.7945 PRESSURE: 4416200 157.159 74.0554 -68.1119 74.0558 -61.1862 -33.3781 -68.1113 -33.379 -309.854 GPRESSURE: 4416200 154.706 40.8555 -4.29207 111.245 2.08642 106.48 -122.058 -97.0069 -272.528 PRESSAVG: 4416200 -1.53514 0.121026 -57.0599 0.121099 12.4744 -47.5155 -57.0598 -47.5156 -10.9241 GPRESSAVG: 4416200 -2.54543 -2.82074 -54.3327 1.36495 11.8919 -48.3583 -58.3415 -47.4393 -9.82085 TIMING: 4416200 CPU: 13268.6, 0.00305103/step Wall: 13268.6, 0.00305103/step, 0.494775 hours remaining, 207.785156 MB of memory in use. ENERGY: 4416200 744.1903 2155.3697 1951.3233 95.1507 -206051.6799 17735.2657 0.0000 0.0000 34145.0598 -149225.3204 298.1973 -183370.3802 -149127.7840 298.8243 -71.2936 -38.5785 558849.2190 0.0051 -0.1581 LDB: ============= START OF LOAD BALANCING ============== 13272 LDB: ============== END OF LOAD BALANCING =============== 13272 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13272 LDB: ============= START OF LOAD BALANCING ============== 13272.3 LDB: Largest compute 4820 load 0.022938 is 19.4% of average load 0.118082 LDB: Average compute 0.001739 is 1.5% of average load 0.118082 LDB: TIME 13272.3 LOAD: AVG 0.118082 MAX 0.218253 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.559 MB LDB: TIME 13272.3 LOAD: AVG 0.118082 MAX 0.218253 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.766 MB LDB: TIME 13272.3 LOAD: AVG 0.118082 MAX 0.218253 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.766 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13272.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13272.3 PRESSURE: 4416400 -97.1634 -15.1995 -15.4936 -15.1994 -54.9312 -267.47 -15.4942 -267.47 -47.2332 GPRESSURE: 4416400 -114.707 -5.43596 -114.64 -99.5636 -26.318 -310.79 50.3021 -273.737 46.3879 PRESSAVG: 4416400 0.0900988 -31.2897 -39.9975 -31.2896 43.36 -46.2724 -39.9975 -46.2725 -52.1453 GPRESSAVG: 4416400 -0.145352 -30.7707 -39.583 -28.2839 43.0781 -45.1213 -38.594 -46.4774 -51.8562 TIMING: 4416400 CPU: 13269.2, 0.00310003/step Wall: 13269.2, 0.00310003/step, 0.50255 hours remaining, 208.046875 MB of memory in use. ENERGY: 4416400 756.4157 2097.6160 1942.9693 123.6323 -206088.4524 17761.6793 0.0000 0.0000 34053.3993 -149352.7405 297.3968 -183406.1398 -149256.1461 299.2714 -66.4426 -31.5456 558974.5899 -2.8984 -2.9745 PRESSURE: 4416600 182.557 141.486 -29.3871 141.486 -62.7935 154.542 -29.3875 154.542 -145.952 GPRESSURE: 4416600 208.28 124.132 -15.1004 96.7051 -21.2659 93.2485 -47.8155 168.999 -94.7096 PRESSAVG: 4416600 36.4605 -30.8882 -26.1694 -30.8882 2.328 -29.1362 -26.1694 -29.1361 -28.0156 GPRESSAVG: 4416600 37.8463 -28.5574 -25.16 -35.6063 2.06627 -29.8156 -27.1279 -29.9467 -28.9405 TIMING: 4416600 CPU: 13269.8, 0.00306132/step Wall: 13269.8, 0.00306132/step, 0.496103 hours remaining, 208.117188 MB of memory in use. ENERGY: 4416600 757.5227 2051.1318 1929.3171 121.9367 -206168.5112 17774.0857 0.0000 0.0000 34288.1911 -149246.3262 299.4473 -183534.5172 -149152.8617 298.9923 -8.7296 30.7682 557652.8663 3.5910 3.6573 PRESSURE: 4416800 35.1917 147.835 1.64412 147.835 108.705 115.918 1.64414 115.916 -27.0665 GPRESSURE: 4416800 105.814 133.174 72.2134 151.9 112.873 -16.4745 -5.75626 127.036 9.22539 PRESSAVG: 4416800 -32.6757 47.3991 58.8159 47.399 48.7618 17.109 58.8159 17.109 -24.7391 GPRESSAVG: 4416800 -33.669 45.1215 57.1367 50.1544 49.338 16.1548 59.4322 17.9143 -24.1034 TIMING: 4416800 CPU: 13270.4, 0.00305752/step Wall: 13270.4, 0.00305752/step, 0.495319 hours remaining, 208.117188 MB of memory in use. ENERGY: 4416800 767.4070 1999.7986 1933.7207 112.4856 -206643.6781 18188.7435 0.0000 0.0000 34280.6925 -149360.8302 299.3818 -183641.5227 -149259.0586 298.9375 38.9435 75.9707 556918.2014 -2.8843 -2.8115 PRESSURE: 4417000 -78.7403 36.1329 -47.157 36.1331 122.162 65.1767 -47.1556 65.1772 -42.2318 GPRESSURE: 4417000 -53.41 103.144 -4.1977 16.7736 141.483 -51.272 -31.9504 138.423 -3.80174 PRESSAVG: 4417000 -10.3811 26.1961 -6.86014 26.196 82.8667 -52.859 -6.86008 -52.859 -34.7449 GPRESSAVG: 4417000 -10.2572 27.9649 -8.22978 25.6881 83.0439 -52.7622 -6.52328 -52.9994 -35.0286 TIMING: 4417000 CPU: 13271, 0.00302563/step Wall: 13271, 0.00302563/step, 0.489983 hours remaining, 208.117188 MB of memory in use. ENERGY: 4417000 728.9552 2131.4295 1921.9275 97.5895 -206312.5017 17843.3923 0.0000 0.0000 34429.1910 -149160.0166 300.6787 -183589.2077 -149063.0044 299.6866 0.3965 28.0905 557681.8082 12.5802 12.5860 PRESSURE: 4417200 113.811 -214.125 5.14576 -214.126 117.051 -82.4208 5.14615 -82.421 197.039 GPRESSURE: 4417200 176.127 -234.763 -72.1324 -183.81 128.722 -101.642 -11.0082 -79.4761 227.597 PRESSAVG: 4417200 -33.0028 9.85307 -10.6835 9.85311 -36.3412 4.90643 -10.6834 4.90646 9.92161 GPRESSAVG: 4417200 -33.0669 8.88241 -8.06432 8.67258 -37.0905 4.96184 -11.3534 5.32815 10.563 TIMING: 4417200 CPU: 13271.6, 0.0030136/step Wall: 13271.6, 0.0030136/step, 0.487869 hours remaining, 208.117188 MB of memory in use. ENERGY: 4417200 722.1343 2143.3328 1941.4398 124.4775 -206263.1897 17852.2436 0.0000 0.0000 34557.7561 -148921.8057 301.8015 -183479.5618 -148830.2713 300.1497 142.6336 177.4821 556483.2785 -19.8075 -19.8648 PRESSURE: 4417400 -9.31854 -47.1565 -95.5846 -47.1563 85.1712 6.19359 -95.5846 6.19424 83.1325 GPRESSURE: 4417400 15.1357 -107.944 -91.8872 6.27391 108.835 -52.7766 -132.915 110.457 120.488 PRESSAVG: 4417400 -74.6757 -32.7348 -40.5154 -32.7348 41.9631 24.7185 -40.5154 24.7186 33.1751 GPRESSAVG: 4417400 -75.6474 -33.7814 -42.7806 -32.536 43.2109 25.4681 -40.621 23.4108 32.529 TIMING: 4417400 CPU: 13272.3, 0.00302691/step Wall: 13272.3, 0.00302691/step, 0.489855 hours remaining, 208.117188 MB of memory in use. ENERGY: 4417400 728.1370 2066.6259 1968.2716 131.9996 -206081.5519 17795.2291 0.0000 0.0000 34302.9767 -149088.3120 299.5764 -183391.2887 -148989.2878 300.2801 52.9951 81.4860 557838.0589 0.1542 0.0308 PRESSURE: 4417600 64.8864 29.8961 -89.836 29.8958 85.8349 155.416 -89.8354 155.416 8.58786 GPRESSURE: 4417600 131.879 41.767 -107.086 -10.1642 110.278 186.905 -81.2416 236.139 25.0262 PRESSAVG: 4417600 76.5964 -12.9396 -29.5223 -12.9396 1.43825 23.6195 -29.5223 23.6194 -21.4629 GPRESSAVG: 4417600 77.9073 -12.5898 -30.496 -11.9639 -0.17226 23.8459 -29.3401 23.1172 -20.9631 TIMING: 4417600 CPU: 13272.9, 0.00303785/step Wall: 13272.9, 0.00303785/step, 0.491457 hours remaining, 208.117188 MB of memory in use. ENERGY: 4417600 764.8607 2060.8732 1954.8601 119.9718 -206398.7502 17941.7991 0.0000 0.0000 34534.8863 -149021.4990 301.6018 -183556.3853 -148926.8769 300.3285 53.1031 89.0610 557116.8356 18.8572 18.9240 PRESSURE: 4417800 -69.2184 -57.3388 126.954 -57.339 -178.728 71.9192 126.954 71.9183 -169.983 GPRESSURE: 4417800 6.50476 -18.5786 126.918 -100.244 -194.906 -15.4266 39.7444 144.582 -138.513 PRESSAVG: 4417800 -31.957 -20.528 14.2032 -20.528 26.5371 10.3789 14.2032 10.379 -5.36854 GPRESSAVG: 4417800 -32.6215 -21.5272 13.3632 -18.7603 28.6848 10.8666 14.3346 10.9579 -6.66954 TIMING: 4417800 CPU: 13273.5, 0.00301588/step Wall: 13273.5, 0.00301588/step, 0.487736 hours remaining, 208.117188 MB of memory in use. ENERGY: 4417800 811.2807 2058.6192 1954.8005 128.4703 -205975.1755 17788.9878 0.0000 0.0000 34299.8316 -148933.1854 299.5490 -183233.0169 -148836.1463 300.3276 -139.3099 -108.9715 557668.0005 -3.5962 -3.5354 PRESSURE: 4418000 -438.113 -53.4296 -138.684 -53.429 -327.693 65.2486 -138.684 65.2488 -187.337 GPRESSURE: 4418000 -407.169 -45.8536 -84.2477 16.9903 -299.57 62.4475 -120.096 78.1066 -144.598 PRESSAVG: 4418000 -8.96933 14.4623 -15.375 14.4623 16.6557 -22.548 -15.375 -22.548 24.4336 GPRESSAVG: 4418000 -8.86319 16.1193 -13.514 13.824 16.2923 -23.9923 -16.0893 -24.7522 25.105 TIMING: 4418000 CPU: 13274.1, 0.00300181/step Wall: 13274.1, 0.00300181/step, 0.485293 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: 4418000 756.9489 2076.3848 1959.6928 123.8866 -205886.1077 17498.1450 0.0000 0.0000 34440.5947 -149030.4549 300.7783 -183471.0496 -148936.2817 299.8539 -317.7143 -283.7793 557763.2814 10.7067 10.8447 PRESSURE: 4418200 -144.664 95.0572 -65.3739 95.0575 159.476 -146.462 -65.373 -146.461 -143.946 GPRESSURE: 4418200 -120.976 72.6544 -100.219 115.878 116.368 -77.3692 -94.2877 -214.839 -14.6243 PRESSAVG: 4418200 -2.82526 -4.55451 -17.3072 -4.55452 53.5794 -51.3258 -17.3071 -51.3258 -76.8218 GPRESSAVG: 4418200 -3.62768 -5.804 -19.2023 -4.71883 53.5789 -52.7417 -17.0286 -48.4273 -76.1802 TIMING: 4418200 CPU: 13274.7, 0.00299132/step Wall: 13274.7, 0.00299132/step, 0.483431 hours remaining, 208.117188 MB of memory in use. ENERGY: 4418200 749.1264 2057.6444 1975.7583 114.6765 -205665.4456 17518.0930 0.0000 0.0000 34256.0915 -148994.0554 299.1670 -183250.1469 -148896.6180 300.0470 -43.0446 -6.4109 557688.9187 -8.6892 -8.7430 PRESSURE: 4418400 156.626 -72.8918 -22.6447 -72.8921 15.2091 -67.9552 -22.6443 -67.9562 -82.9006 GPRESSURE: 4418400 157.546 -56.3788 -33.5047 -17.0452 74.5005 -59.206 -20.2879 -34.5254 -43.8048 PRESSAVG: 4418400 47.9284 14.5812 -41.7873 14.5812 34.284 14.9313 -41.7872 14.9313 -31.6537 GPRESSAVG: 4418400 48.1018 15.5115 -40.6765 14.0568 34.25 16.1224 -40.7532 13.1981 -31.5302 TIMING: 4418400 CPU: 13275.3, 0.00302095/step Wall: 13275.3, 0.00302095/step, 0.488051 hours remaining, 208.117188 MB of memory in use. ENERGY: 4418400 725.8955 2024.1691 1956.5160 103.8695 -206443.8898 18058.3439 0.0000 0.0000 34423.4597 -149151.6362 300.6286 -183575.0959 -149059.9307 299.8400 29.6448 62.7474 559287.5663 16.8529 16.9405 PRESSURE: 4418600 18.9879 -77.5901 142.859 -77.5899 -201.841 48.2727 142.86 48.2737 -126.92 GPRESSURE: 4418600 74.3725 -31.6626 147.258 -57.4733 -180.922 58.0181 111.176 -20.448 -108.313 PRESSAVG: 4418600 -6.59934 7.10464 1.16337 7.10463 -8.60765 -12.5168 1.16336 -12.5168 -45.2327 GPRESSAVG: 4418600 -6.03646 7.98871 0.728946 6.22624 -8.28372 -13.1807 -0.0397329 -9.25383 -45.7413 TIMING: 4418600 CPU: 13275.9, 0.00303513/step Wall: 13275.9, 0.00303513/step, 0.490173 hours remaining, 208.117188 MB of memory in use. ENERGY: 4418600 749.6551 2042.3991 1941.8834 129.0371 -205955.3674 17805.9395 0.0000 0.0000 34183.8687 -149102.5846 298.5362 -183286.4532 -149003.3430 299.3580 -103.2578 -71.6209 559688.4460 -20.1466 -20.0205 PRESSURE: 4418800 -26.4158 19.6714 -98.5693 19.6705 -173.527 188.996 -98.5707 188.995 -23.5073 GPRESSURE: 4418800 -16.9425 -55.3492 -63.8627 48.4259 -151.585 245.599 -38.3793 169.364 54.1758 PRESSAVG: 4418800 71.9963 18.5275 6.01775 18.5275 -19.3371 10.8257 6.01775 10.8258 -28.4989 GPRESSAVG: 4418800 72.3039 16.4925 7.66501 19.1614 -18.8417 12.9579 6.06419 8.58063 -29.2031 TIMING: 4418800 CPU: 13276.5, 0.00304765/step Wall: 13276.5, 0.00304765/step, 0.492026 hours remaining, 208.320312 MB of memory in use. ENERGY: 4418800 743.4501 2066.6123 1963.9148 120.3137 -206589.0050 17916.0266 0.0000 0.0000 34469.4389 -149309.2486 301.0302 -183778.6875 -149219.9238 299.4646 -74.4833 -38.1174 558065.3751 8.0534 8.0864 PRESSURE: 4419000 -94.4825 12.257 5.12633 12.2575 -24.8097 31.8917 5.12556 31.8921 -117.125 GPRESSURE: 4419000 -108.527 -18.4679 62.914 68.6409 21.7703 111.65 -29.191 80.6736 -64.8984 PRESSAVG: 4419000 41.5357 28.1258 23.2157 28.1258 -0.318047 13.5892 23.2157 13.5892 -34.1882 GPRESSAVG: 4419000 41.9876 29.8116 22.1087 28.0131 -1.77466 12.9022 24.3618 13.9326 -33.4609 TIMING: 4419000 CPU: 13277.1, 0.00306269/step Wall: 13277.1, 0.00306269/step, 0.494284 hours remaining, 208.320312 MB of memory in use. ENERGY: 4419000 747.6030 2108.2236 1949.5129 121.5552 -206007.8328 17571.2682 0.0000 0.0000 34252.8471 -149256.8228 299.1386 -183509.6698 -149159.5510 299.1678 -78.8058 -50.5516 556393.3394 2.3432 2.2507 PRESSURE: 4419200 164.232 4.0148 129.02 4.01583 347.776 26.7936 129.02 26.7941 -72.2232 GPRESSURE: 4419200 176.689 -9.795 194.734 29.865 430.508 121.571 176.333 -45.2403 -86.6153 PRESSAVG: 4419200 28.6779 47.2886 12.1381 47.2885 -1.01085 10.0622 12.1381 10.0623 -74.2026 GPRESSAVG: 4419200 28.4879 47.26 11.6332 47.3557 -0.0949666 9.71519 11.4918 9.03646 -74.862 TIMING: 4419200 CPU: 13277.7, 0.003034/step Wall: 13277.7, 0.003034/step, 0.489486 hours remaining, 208.320312 MB of memory in use. ENERGY: 4419200 777.0836 2047.1501 1951.9697 108.7374 -206437.6487 18091.7174 0.0000 0.0000 34202.8903 -149258.1002 298.7023 -183460.9905 -149164.7949 299.7879 146.5950 173.5272 556598.9962 -15.5119 -15.4897 PRESSURE: 4419400 99.6474 -97.6612 180.948 -97.6599 -252.833 100.831 180.949 100.83 -179.357 GPRESSURE: 4419400 113.976 -206.708 261.724 15.9921 -229.077 107.807 130.632 124.424 -131.748 PRESSAVG: 4419400 -43.3304 24.7749 40.1358 24.7749 -12.7175 37.3552 40.1358 37.3552 88.3671 GPRESSAVG: 4419400 -42.798 24.0606 41.0016 23.9658 -13.2918 36.0002 41.685 39.1666 88.5695 TIMING: 4419400 CPU: 13278.3, 0.00301845/step Wall: 13278.3, 0.00301845/step, 0.486809 hours remaining, 208.320312 MB of memory in use. ENERGY: 4419400 754.2826 2060.8946 1933.3734 122.1751 -206186.2896 17720.1064 0.0000 0.0000 34265.6841 -149329.7735 299.2507 -183595.4576 -149239.4629 299.1813 -110.8474 -82.2831 557075.0159 10.7731 10.8266 PRESSURE: 4419600 129.883 -44.8308 -12.6716 -44.8305 -389.468 36.9364 -12.6717 36.9369 -276.263 GPRESSURE: 4419600 160.396 38.1116 -25.7005 -52.1653 -329.504 55.9149 -78.2996 68.853 -267.762 PRESSAVG: 4419600 16.2621 31.4495 16.686 31.4496 -63.0345 57.2138 16.6859 57.2139 45.0101 GPRESSAVG: 4419600 16.2954 31.7231 15.8594 31.7617 -62.8642 60.2473 14.9747 57.2582 45.328 TIMING: 4419600 CPU: 13278.9, 0.00301968/step Wall: 13278.9, 0.00301968/step, 0.486839 hours remaining, 208.320312 MB of memory in use. ENERGY: 4419600 789.4604 2136.6280 1921.4452 117.8344 -206200.5533 17584.7965 0.0000 0.0000 34308.6992 -149341.6897 299.6264 -183650.3889 -149244.1371 298.7075 -178.6161 -145.6235 556538.0081 -0.5874 -0.4136 PRESSURE: 4419800 -82.9573 92.4859 -47.722 92.4855 -110.794 -206.151 -47.721 -206.151 120.781 GPRESSURE: 4419800 -52.3585 103.377 -86.8732 32.3449 -38.4743 5.02517 3.39215 -215.439 124.119 PRESSAVG: 4419800 3.86634 14.1527 -24.237 14.1527 -10.1436 44.331 -24.237 44.3309 -23.682 GPRESSAVG: 4419800 3.78962 13.6516 -23.2469 14.2806 -10.9835 42.5037 -25.5186 45.8891 -23.2914 TIMING: 4419800 CPU: 13279.5, 0.00303451/step Wall: 13279.5, 0.00303451/step, 0.489062 hours remaining, 208.320312 MB of memory in use. ENERGY: 4419800 765.1467 2041.9393 1937.5890 108.7629 -206369.6355 17951.6422 0.0000 0.0000 34086.4571 -149478.0983 297.6855 -183564.5554 -149378.5869 298.6118 -24.3236 11.0955 556566.9522 -9.9864 -10.1618 PRESSURE: 4420000 188.212 -61.4512 -59.4127 -61.4516 264.531 -165.659 -59.4122 -165.66 267.979 GPRESSURE: 4420000 225.252 -101.898 4.40777 4.57798 351.982 -155.954 -40.2142 -172.558 246.074 PRESSAVG: 4420000 -9.50064 -12.4842 -30.5456 -12.4843 36.3878 34.58 -30.5456 34.58 -11.8412 GPRESSAVG: 4420000 -10.7074 -13.7781 -33.077 -11.6886 38.4765 32.7013 -27.931 32.7853 -12.8042 TIMING: 4420000 CPU: 13280.1, 0.00304795/step Wall: 13280.1, 0.00304795/step, 0.491059 hours remaining, 208.320312 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: 4420000 714.0464 2029.9511 1945.2046 114.6383 -206919.7163 18258.5102 0.0000 0.0000 34352.2337 -149505.1319 300.0066 -183857.3656 -149404.0881 298.8058 240.2406 274.4359 556323.6292 5.0153 4.9883 PRESSURE: 4420200 53.6662 38.5627 -70.7128 38.5633 23.1483 71.654 -70.7126 71.6543 43.8479 GPRESSURE: 4420200 16.8242 165.861 -29.7932 -31.4178 43.7353 61.3406 -87.4646 21.0879 162.546 PRESSAVG: 4420200 41.501 -1.03243 -8.20103 -1.03237 -37.3315 0.0165184 -8.201 0.0164127 6.41491 GPRESSAVG: 4420200 40.689 0.563337 -8.48711 -2.45914 -38.1267 -0.251498 -7.79566 -0.264202 7.85005 TIMING: 4420200 CPU: 13280.7, 0.00304408/step Wall: 13280.7, 0.00304408/step, 0.490266 hours remaining, 208.320312 MB of memory in use. ENERGY: 4420200 767.3300 2057.2445 1934.2096 106.4931 -206542.8745 18274.8344 0.0000 0.0000 34111.8513 -149290.9116 297.9073 -183402.7628 -149198.5268 298.4835 40.2208 74.3685 558884.4731 3.5281 3.4708 LDB: ============= START OF LOAD BALANCING ============== 13284.2 LDB: ============== END OF LOAD BALANCING =============== 13284.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13284.2 LDB: ============= START OF LOAD BALANCING ============== 13284.5 LDB: Largest compute 4820 load 0.022979 is 19.5% of average load 0.118100 LDB: Average compute 0.001732 is 1.5% of average load 0.118100 LDB: TIME 13284.5 LOAD: AVG 0.1181 MAX 0.221649 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 13284.5 LOAD: AVG 0.1181 MAX 0.221649 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.992 MB LDB: TIME 13284.5 LOAD: AVG 0.1181 MAX 0.221649 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13284.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13284.5 PRESSURE: 4420400 -435.096 -41.1652 113.161 -41.1638 -120.569 -55.2628 113.162 -55.2633 -28.4727 GPRESSURE: 4420400 -355.322 -95.4006 145.28 -61.4546 -83.7934 -53.5631 78.7302 -100.37 -41.3393 PRESSAVG: 4420400 -31.3659 -20.5912 47.4362 -20.5912 -32.1433 13.2895 47.4363 13.2895 48.3754 GPRESSAVG: 4420400 -31.4094 -18.41 47.8463 -20.6571 -31.3915 14.6195 46.597 13.7325 47.9777 TIMING: 4420400 CPU: 13281.4, 0.00309634/step Wall: 13281.4, 0.00309634/step, 0.498511 hours remaining, 207.585938 MB of memory in use. ENERGY: 4420400 777.6679 2096.2517 1949.0275 96.4853 -206459.8761 17736.6047 0.0000 0.0000 34382.6331 -149421.2060 300.2721 -183803.8391 -149321.3574 299.2318 -194.7128 -160.1515 558188.5901 -5.0446 -4.9411 PRESSURE: 4420600 82.7057 -69.8712 -86.7442 -69.8717 -54.2968 1.28626 -86.7435 1.28714 80.7224 GPRESSURE: 4420600 119.255 -85.8483 14.4933 22.6969 -26.1922 13.1887 -106.586 74.0797 116.715 PRESSAVG: 4420600 -35.2621 -19.1402 26.0503 -19.1402 32.3046 -49.3143 26.0503 -49.3143 0.422704 GPRESSAVG: 4420600 -34.586 -20.8508 26.7443 -18.3386 31.8323 -47.5605 24.7911 -49.3227 0.106533 TIMING: 4420600 CPU: 13282, 0.00306672/step Wall: 13282, 0.00306673/step, 0.493572 hours remaining, 207.789062 MB of memory in use. ENERGY: 4420600 737.4093 2071.9857 1934.8964 96.2528 -206063.4659 17745.6378 0.0000 0.0000 33918.8135 -149558.4705 296.2214 -183477.2840 -149462.3399 298.5653 36.3771 69.9258 555798.1671 -0.8449 -0.8824 PRESSURE: 4420800 -347.98 -37.7477 76.4966 -37.7479 -113.734 11.516 76.4966 11.5151 -46.4468 GPRESSURE: 4420800 -262.362 -133.903 138.65 76.96 -99.9928 43.9109 51.488 -86.9997 -36.0535 PRESSAVG: 4420800 -47.9066 -8.28076 -9.78886 -8.28077 11.0029 -20.6659 -9.78886 -20.6659 25.4101 GPRESSAVG: 4420800 -48.0004 -9.33128 -10.9393 -9.63213 10.5151 -22.5696 -9.50217 -19.2162 25.8436 TIMING: 4420800 CPU: 13282.6, 0.00305743/step Wall: 13282.6, 0.00305743/step, 0.491906 hours remaining, 207.789062 MB of memory in use. ENERGY: 4420800 746.8820 2098.8764 1939.4455 109.4107 -206312.0349 17638.3830 0.0000 0.0000 34081.6043 -149697.4329 297.6431 -183779.0372 -149600.6183 297.9917 -169.3869 -132.8029 556744.7238 -3.8312 -3.8806 PRESSURE: 4421000 -26.9973 119.331 -9.03977 119.332 -404.859 88.6279 -9.03927 88.6265 -184.798 GPRESSURE: 4421000 44.4978 124.384 86.5336 185.776 -377.125 78.8965 49.8305 78.1166 -190.516 PRESSAVG: 4421000 47.9743 9.26882 23.4671 9.26892 -15.0111 20.4056 23.467 20.4056 2.19008 GPRESSAVG: 4421000 48.3071 10.0787 25.5401 10.722 -16.54 21.4756 23.1279 18.5758 3.02605 TIMING: 4421000 CPU: 13283.2, 0.00307935/step Wall: 13283.2, 0.00307935/step, 0.495262 hours remaining, 207.789062 MB of memory in use. ENERGY: 4421000 741.0587 2071.0962 1960.3142 99.7894 -206255.7085 17471.7808 0.0000 0.0000 34200.7097 -149710.9595 298.6833 -183911.6692 -149607.4836 298.2446 -205.5513 -174.3811 557777.8544 11.7178 11.5977 PRESSURE: 4421200 -38.1116 -4.50347 -28.2738 -4.50214 7.61549 48.656 -28.2743 48.6559 146.357 GPRESSURE: 4421200 41.4004 -9.19873 72.6134 2.54928 51.778 67.607 -35.7959 49.7039 116.857 PRESSAVG: 4421200 31.8894 22.0374 -8.08462 22.0375 -43.4404 26.3505 -8.0845 26.3505 -34.9932 GPRESSAVG: 4421200 31.4237 20.6273 -9.05492 21.6585 -41.4731 25.9372 -6.08748 24.8472 -36.4622 TIMING: 4421200 CPU: 13283.8, 0.00306515/step Wall: 13283.8, 0.00306515/step, 0.492808 hours remaining, 207.789062 MB of memory in use. ENERGY: 4421200 731.9912 2069.8789 1944.3455 114.4821 -206841.2278 18077.2315 0.0000 0.0000 34150.6950 -149752.6035 298.2465 -183903.2985 -149653.7682 298.2819 38.6203 70.0120 557808.7546 -15.5147 -15.5039 PRESSURE: 4421400 -281.455 -1.00876 41.182 -1.0073 -259.272 -69.1998 41.1818 -69.1997 -391.927 GPRESSURE: 4421400 -234.238 1.36304 52.2594 -75.6671 -271.026 -89.9142 56.8227 1.95234 -328.91 PRESSAVG: 4421400 10.8741 -30.5498 -15.4649 -30.5498 -6.90279 -0.617439 -15.465 -0.617572 -44.2919 GPRESSAVG: 4421400 10.3734 -30.002 -16.0436 -28.9532 -6.30875 0.695879 -15.7082 0.729696 -44.0173 TIMING: 4421400 CPU: 13284.4, 0.00305553/step Wall: 13284.4, 0.00305553/step, 0.491092 hours remaining, 207.789062 MB of memory in use. ENERGY: 4421400 711.0993 2041.9997 1946.0606 113.8214 -205915.6690 17464.5114 0.0000 0.0000 33947.6475 -149690.5290 296.4732 -183638.1766 -149589.1540 298.0187 -310.8845 -278.0580 559192.8403 -13.4402 -13.3176 PRESSURE: 4421600 267.424 -0.855062 -11.8313 -0.853998 10.8875 56.6279 -11.8322 56.6273 285.875 GPRESSURE: 4421600 323.73 -18.5791 -99.8119 29.8285 33.284 15.1218 14.1553 67.6137 309.228 PRESSAVG: 4421600 -29.4862 -6.85354 -42.8656 -6.85358 18.9286 -2.78962 -42.8655 -2.78965 -13.1745 GPRESSAVG: 4421600 -30.4898 -7.23638 -42.7488 -7.19602 19.5322 -4.23846 -44.6299 -2.42945 -12.6726 TIMING: 4421600 CPU: 13285, 0.00305378/step Wall: 13285, 0.00305378/step, 0.490641 hours remaining, 207.789062 MB of memory in use. ENERGY: 4421600 769.6331 2023.3571 1952.4563 114.1736 -207083.7701 18312.6474 0.0000 0.0000 34348.6612 -149562.8415 299.9754 -183911.5027 -149464.9089 298.1153 188.0621 222.0809 556591.2210 -7.9107 -7.8767 PRESSURE: 4421800 159.35 142.967 2.46447 142.967 173.859 -36.2945 2.46507 -36.2966 164.569 GPRESSURE: 4421800 163.425 145.016 3.50569 109.238 272.176 -98.4531 43.6055 -53.5459 180.836 PRESSAVG: 4421800 73.0917 3.01977 -41.7752 3.01981 12.7319 -1.47334 -41.7752 -1.47342 -59.3978 GPRESSAVG: 4421800 74.7469 2.91017 -39.9987 3.33504 12.1431 -2.24036 -41.5097 -1.03136 -60.5576 TIMING: 4421800 CPU: 13285.6, 0.00308362/step Wall: 13285.6, 0.00308362/step, 0.495264 hours remaining, 207.789062 MB of memory in use. ENERGY: 4421800 759.0213 2074.8702 1921.7383 126.4840 -206943.5791 18274.5078 0.0000 0.0000 34275.6734 -149511.2841 299.3380 -183786.9575 -149408.8908 298.1601 165.9262 205.4792 556504.7829 8.8086 8.7775 PRESSURE: 4422000 -101.194 11.3607 -231.077 11.3596 134.699 -26.2952 -231.077 -26.2949 -169.687 GPRESSURE: 4422000 -81.7687 149.526 -187.844 -128.721 135.384 10.1137 -205.967 -11.4904 -79.3259 PRESSAVG: 4422000 33.1762 -76.5568 -37.1856 -76.5568 28.9845 35.6197 -37.1857 35.6196 -24.3314 GPRESSAVG: 4422000 31.9566 -73.8069 -36.9543 -78.0165 28.8978 37.8526 -38.2268 35.2472 -23.3825 TIMING: 4422000 CPU: 13286.3, 0.00306714/step Wall: 13286.3, 0.00306714/step, 0.492446 hours remaining, 207.789062 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: 4422000 700.8434 2049.4673 1922.4352 99.7747 -206166.8977 17676.6954 0.0000 0.0000 34302.4327 -149415.2490 299.5717 -183717.6817 -149316.7802 298.9898 -45.3943 -8.5702 558170.8978 12.6098 12.4906 PRESSURE: 4422200 23.3342 -67.2502 132.358 -67.2507 25.4918 25.9388 132.357 25.9376 -59.1747 GPRESSURE: 4422200 38.1164 -37.4129 164.534 -25.3015 75.8962 -60.552 103.803 137.844 -31.181 PRESSAVG: 4422200 -15.6897 -34.2276 -15.9956 -34.2276 48.7712 43.5925 -15.9957 43.5924 -53.2866 GPRESSAVG: 4422200 -14.827 -35.586 -18.0863 -32.47 49.7205 43.6047 -14.5832 42.6102 -54.6857 TIMING: 4422200 CPU: 13286.9, 0.0030478/step Wall: 13286.9, 0.0030478/step, 0.489171 hours remaining, 207.789062 MB of memory in use. ENERGY: 4422200 726.1333 2106.0123 1945.3779 112.7626 -206304.7714 17765.6862 0.0000 0.0000 34375.1396 -149273.6596 300.2066 -183648.7991 -149184.4422 299.2155 -3.4495 27.6105 556727.4665 -6.7350 -6.5974 PRESSURE: 4422400 -171.933 101.448 37.7697 101.448 -294.826 10.3712 37.7696 10.3716 3.01561 GPRESSURE: 4422400 -124.735 60.4253 -4.83857 139.773 -252.13 109.007 45.5811 9.44223 15.0124 PRESSAVG: 4422400 13.7386 24.1505 14.1338 24.1503 11.5856 -6.1427 14.1338 -6.14271 -61.8708 GPRESSAVG: 4422400 13.1494 22.6798 12.0713 23.695 10.814 -8.97704 13.5187 -3.99275 -60.2844 TIMING: 4422400 CPU: 13287.5, 0.00302333/step Wall: 13287.5, 0.00302333/step, 0.485076 hours remaining, 207.789062 MB of memory in use. ENERGY: 4422400 742.0926 2039.2939 1944.5720 117.8127 -205850.5020 17567.0537 0.0000 0.0000 34098.6206 -149341.0566 297.7917 -183439.6772 -149240.8801 298.6600 -154.5810 -120.6176 557910.7342 -12.1822 -12.1070 PRESSURE: 4422600 -87.3131 0.264158 30.2671 0.265154 117.114 27.4967 30.2671 27.4977 8.04936 GPRESSURE: 4422600 -73.4785 58.7315 -2.88049 -29.8393 203.052 48.8137 59.4611 37.5252 18.3454 PRESSAVG: 4422600 15.2791 -4.1852 -16.9383 -4.18517 42.635 1.38721 -16.9383 1.38728 -44.9141 GPRESSAVG: 4422600 15.2746 -2.04506 -15.6798 -4.91656 44.1798 3.54791 -16.5725 0.896875 -46.367 TIMING: 4422600 CPU: 13288.1, 0.00305731/step Wall: 13288.1, 0.00305731/step, 0.490359 hours remaining, 207.789062 MB of memory in use. ENERGY: 4422600 770.0724 2061.2337 1946.8177 98.8756 -206036.3823 17844.5303 0.0000 0.0000 34069.0626 -149245.7900 297.5336 -183314.8526 -149146.2605 299.2201 12.6166 49.3063 556054.6106 4.3333 4.3625 PRESSURE: 4422800 52.6219 -98.8665 -114.067 -98.8667 3.98571 54.8833 -114.066 54.8861 -394.752 GPRESSURE: 4422800 33.3673 -16.745 -126.598 -188.181 46.8279 147.542 -114.152 118.652 -314.894 PRESSAVG: 4422800 -6.36323 24.4807 36.9714 24.4806 46.8355 -8.07013 36.9715 -8.07013 -2.16559 GPRESSAVG: 4422800 -5.40042 24.9739 38.0542 24.6368 45.2493 -8.54668 36.342 -8.52987 -1.22054 TIMING: 4422800 CPU: 13288.7, 0.00304805/step Wall: 13288.7, 0.00304805/step, 0.488705 hours remaining, 207.789062 MB of memory in use. ENERGY: 4422800 734.8699 2139.9632 1953.9310 97.9045 -205835.8529 17478.9221 0.0000 0.0000 34431.3385 -148998.9237 300.6974 -183430.2622 -148897.0779 300.5534 -112.7148 -78.2331 556656.1854 12.7689 12.8761 PRESSURE: 4423000 -492.283 3.32217 106.818 3.32372 78.2518 -40.9409 106.819 -40.9406 -4.03011 GPRESSURE: 4423000 -408.514 100.823 192.892 -4.61787 77.946 -69.0174 52.9111 -4.65262 23.59 PRESSAVG: 4423000 16.0743 -15.4003 44.4619 -15.4003 -59.8523 -13.1147 44.4618 -13.1147 27.4864 GPRESSAVG: 4423000 16.4042 -16.1329 43.1332 -14.0675 -59.4985 -11.854 43.1621 -13.4256 26.5976 TIMING: 4423000 CPU: 13289.3, 0.00303699/step Wall: 13289.3, 0.00303699/step, 0.486762 hours remaining, 207.789062 MB of memory in use. ENERGY: 4423000 746.0606 2135.2311 1953.2195 112.1705 -205628.9108 17544.0845 0.0000 0.0000 34017.2462 -149120.8982 297.0811 -183138.1445 -149021.7150 299.2923 -139.3537 -102.3260 558055.5723 -5.4305 -5.4989 PRESSURE: 4423200 63.5333 -153.151 -148.236 -153.152 -69.8516 -120.114 -148.235 -120.113 193.048 GPRESSURE: 4423200 46.8675 -148.858 -105.625 -162.41 -21.2663 -139.735 -232.568 -205.486 261.675 PRESSAVG: 4423200 -11.7822 30.3688 15.2961 30.3687 -3.14684 8.3997 15.2959 8.39984 53.1792 GPRESSAVG: 4423200 -12.9013 29.9231 16.1365 28.3506 -2.89206 6.89387 16.0958 8.5973 53.931 TIMING: 4423200 CPU: 13289.9, 0.00306106/step Wall: 13289.9, 0.00306106/step, 0.490451 hours remaining, 207.789062 MB of memory in use. ENERGY: 4423200 750.6157 2069.6298 2003.6060 114.6512 -206168.2666 17808.1549 0.0000 0.0000 34421.0220 -149000.5871 300.6073 -183421.6090 -148901.3193 299.6221 62.2433 95.7589 556501.8865 12.7500 12.7125 PRESSURE: 4423400 113.767 -48.7975 33.1659 -48.7978 421.752 -35.0922 33.1663 -35.0928 181.057 GPRESSURE: 4423400 187.355 11.7362 35.9962 0.103687 453.06 -23.3523 66.3228 -33.84 181.472 PRESSAVG: 4423400 -53.3192 33.9306 0.194326 33.9306 -13.083 94.8103 0.194266 94.8104 45.3864 GPRESSAVG: 4423400 -53.2032 34.4143 2.04417 34.9528 -13.0761 95.1806 0.107111 94.0186 44.84 TIMING: 4423400 CPU: 13290.5, 0.00304123/step Wall: 13290.5, 0.00304123/step, 0.487104 hours remaining, 207.789062 MB of memory in use. ENERGY: 4423400 755.3048 2098.7872 1944.3885 110.8909 -206607.2222 18184.2401 0.0000 0.0000 34445.8545 -149067.7562 300.8242 -183513.6108 -148970.1396 300.1902 238.8584 273.9624 556696.3181 -7.0052 -7.1464 PRESSURE: 4423600 -305.153 133.311 143.553 133.312 -171.456 89.7919 143.553 89.7907 -276.552 GPRESSURE: 4423600 -259.128 90.5547 123.953 169.587 -129.521 111.307 80.888 154.663 -252.513 PRESSAVG: 4423600 -13.5521 97.6177 67.609 97.6177 49.7634 39.2782 67.6089 39.2782 -24.9773 GPRESSAVG: 4423600 -12.5068 97.8653 65.5422 98.6032 49.483 39.4611 69.1619 40.7441 -25.581 TIMING: 4423600 CPU: 13291.1, 0.00303629/step Wall: 13291.1, 0.00303629/step, 0.486144 hours remaining, 207.789062 MB of memory in use. ENERGY: 4423600 751.1598 2085.5165 1943.3108 109.7394 -205578.9348 17422.2564 0.0000 0.0000 34325.1406 -148941.8112 299.7700 -183266.9518 -148838.6612 299.8833 -251.0538 -213.7208 558024.7523 3.7446 3.7984 PRESSURE: 4423800 -133.612 29.0596 62.5797 29.0598 117.798 163.144 62.5795 163.143 -259.915 GPRESSURE: 4423800 -75.8183 75.908 118.662 -27.2089 79.9152 128.536 39.261 156.378 -193.369 PRESSAVG: 4423800 -27.3705 -15.9853 17.3461 -15.9853 -21.1268 30.5563 17.346 30.5565 47.9915 GPRESSAVG: 4423800 -28.9703 -16.4803 19.3461 -16.4199 -20.3081 29.1066 14.0414 30.714 48.7567 TIMING: 4423800 CPU: 13291.7, 0.00304843/step Wall: 13291.7, 0.00304843/step, 0.487918 hours remaining, 207.789062 MB of memory in use. ENERGY: 4423800 775.6169 2141.4312 1973.9639 117.2338 -205927.5863 17615.2156 0.0000 0.0000 34347.3724 -148956.7525 299.9641 -183304.1249 -148864.2625 300.3891 -91.9097 -63.0907 556803.9539 -0.1686 -0.1739 PRESSURE: 4424000 -304.137 69.263 3.42835 69.2619 -93.873 -8.34667 3.4282 -8.34564 -407.167 GPRESSURE: 4424000 -256.564 37.2627 -11.2008 84.0467 -102.781 -108.472 -24.9424 38.4097 -344.853 PRESSAVG: 4424000 -26.5093 25.9478 62.7997 25.9477 -11.0043 14.5649 62.7998 14.5649 -1.75982 GPRESSAVG: 4424000 -25.7086 25.1975 62.0206 25.5197 -11.1883 17.9019 64.4168 14.198 -2.18722 TIMING: 4424000 CPU: 13292.3, 0.00303144/step Wall: 13292.3, 0.00303144/step, 0.485031 hours remaining, 207.789062 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: 4424000 782.6053 2063.3430 1986.3411 97.8089 -205690.1629 17278.1877 0.0000 0.0000 34516.6373 -148965.2397 301.4424 -183481.8770 -148865.2591 300.7239 -268.3925 -234.7328 556473.7391 -13.0911 -13.0280 PRESSURE: 4424200 123.95 -108.849 33.5012 -108.848 -91.6119 66.9139 33.5031 66.9133 96.4344 GPRESSURE: 4424200 189.875 -95.131 -9.60711 -191.035 -109.866 68.4387 99.428 26.6998 146.972 PRESSAVG: 4424200 44.3225 -21.2864 -13.2168 -21.2865 4.45631 -9.56006 -13.2169 -9.56 2.6219 GPRESSAVG: 4424200 43.2087 -21.5147 -15.561 -21.57 4.74922 -13.2785 -10.6589 -8.95972 3.2457 TIMING: 4424200 CPU: 13293, 0.00304535/step Wall: 13293, 0.00304535/step, 0.487088 hours remaining, 207.789062 MB of memory in use. ENERGY: 4424200 760.4530 2148.0041 1933.9778 123.0925 -206271.2263 17719.4096 0.0000 0.0000 34578.6726 -149007.6168 301.9841 -183586.2894 -148904.7346 300.6938 42.9243 75.6602 555863.1548 17.1336 17.0679 LDB: ============= START OF LOAD BALANCING ============== 13296.4 LDB: ============== END OF LOAD BALANCING =============== 13296.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13296.4 LDB: ============= START OF LOAD BALANCING ============== 13296.7 LDB: Largest compute 4820 load 0.023243 is 19.7% of average load 0.118135 LDB: Average compute 0.001736 is 1.5% of average load 0.118135 LDB: TIME 13296.7 LOAD: AVG 0.118135 MAX 0.219113 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.492 MB LDB: TIME 13296.7 LOAD: AVG 0.118135 MAX 0.219113 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.555 MB LDB: TIME 13296.7 LOAD: AVG 0.118135 MAX 0.219113 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13296.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13296.7 PRESSURE: 4424400 -186.539 -104.425 -17.2924 -104.425 -348.653 17.733 -17.2924 17.734 -84.3442 GPRESSURE: 4424400 -157.776 -92.3666 5.07861 -133.566 -248.187 45.3439 -24.2493 -36.1935 -129.139 PRESSAVG: 4424400 32.4012 30.1879 36.8994 30.1879 -8.4201 -44.4397 36.8994 -44.4396 22.2365 GPRESSAVG: 4424400 32.502 30.5335 37.5433 30.0971 -9.88846 -43.7446 35.3267 -46.7878 23.6674 TIMING: 4424400 CPU: 13293.6, 0.00308871/step Wall: 13293.6, 0.00308871/step, 0.49385 hours remaining, 208.558594 MB of memory in use. ENERGY: 4424400 820.1227 2132.0150 1965.3376 100.7126 -205780.4324 17379.8712 0.0000 0.0000 34402.9567 -148979.4166 300.4496 -183382.3734 -148887.6195 300.9493 -206.5120 -178.3676 557457.6219 15.4058 15.4270 PRESSURE: 4424600 147.553 120.888 114.1 120.889 -82.4371 44.8247 114.099 44.8259 -152.543 GPRESSURE: 4424600 204.087 167.125 152.157 98.3547 -40.5834 0.700896 86.4808 102.287 -139.745 PRESSAVG: 4424600 -6.20718 -39.4088 24.9237 -39.4089 4.76058 21.6257 24.9237 21.6257 -32.7448 GPRESSAVG: 4424600 -6.6069 -39.8296 25.3698 -40.6568 6.51942 22.669 22.9061 21.296 -34.5785 TIMING: 4424600 CPU: 13294.2, 0.00302168/step Wall: 13294.2, 0.00302168/step, 0.482966 hours remaining, 208.558594 MB of memory in use. ENERGY: 4424600 754.4982 2103.1691 1956.4350 121.5392 -205694.6566 17542.3114 0.0000 0.0000 34340.5007 -148876.2030 299.9041 -183216.7037 -148780.2327 300.3584 -29.1424 7.9196 556941.5425 -11.3971 -11.5553 PRESSURE: 4424800 231.611 -37.193 132.319 -37.1928 76.1836 69.2129 132.318 69.2123 52.4273 GPRESSURE: 4424800 219.819 -65.906 39.9642 -30.5588 124.771 28.5561 206.395 27.6711 120.477 PRESSAVG: 4424800 29.5867 15.5133 10.6402 15.5133 35.4475 4.8229 10.6402 4.82293 -14.6297 GPRESSAVG: 4424800 30.0609 17.3911 9.76322 14.574 34.9644 2.4751 12.6483 7.00975 -14.8869 TIMING: 4424800 CPU: 13294.8, 0.0030624/step Wall: 13294.8, 0.0030624/step, 0.489303 hours remaining, 208.558594 MB of memory in use. ENERGY: 4424800 735.1692 2065.0295 1968.4923 136.9995 -206088.6812 17711.7218 0.0000 0.0000 34683.3859 -148787.8831 302.8986 -183471.2690 -148691.8176 300.1633 120.0741 155.0222 556919.8860 16.8015 16.7128 PRESSURE: 4425000 -260.009 -44.0934 -7.52179 -44.0927 -47.9761 -11.8712 -7.52225 -11.8706 -41.2682 GPRESSURE: 4425000 -265.873 -100.117 83.213 -19.193 0.225566 -49.7283 -24.0153 35.4341 29.8326 PRESSAVG: 4425000 -69.3424 1.00957 -6.89761 1.00971 -0.914771 -6.44158 -6.89763 -6.44164 61.9189 GPRESSAVG: 4425000 -69.7007 0.350158 -5.49196 2.13647 -0.463694 -4.96567 -7.16205 -8.3251 62.1084 TIMING: 4425000 CPU: 13295.4, 0.0030376/step Wall: 13295.4, 0.0030376/step, 0.485173 hours remaining, 208.558594 MB of memory in use. ENERGY: 4425000 748.6236 2137.0328 1981.8000 113.6739 -205544.0736 17591.7172 0.0000 0.0000 34299.3425 -148671.8836 299.5447 -182971.2261 -148570.5050 300.6744 -116.4177 -78.6050 559494.1139 -2.7794 -2.6853 PRESSURE: 4425200 -15.0127 17.3249 -105.217 17.3246 -63.8115 -14.6376 -105.216 -14.637 -41.7235 GPRESSURE: 4425200 12.3384 53.4019 -103.232 19.2049 -23.0736 47.5372 -191.606 3.47075 -26.7049 PRESSAVG: 4425200 27.0934 2.1584 40.0038 2.15842 -27.4337 1.86752 40.004 1.86757 -2.29763 GPRESSAVG: 4425200 28.0156 2.49646 36.4623 1.8106 -27.4171 0.653465 38.911 2.6931 -3.16319 TIMING: 4425200 CPU: 13296, 0.00302517/step Wall: 13296, 0.00302517/step, 0.483019 hours remaining, 208.558594 MB of memory in use. ENERGY: 4425200 750.3938 2166.5065 1955.7429 104.5395 -205749.2090 17695.6174 0.0000 0.0000 34588.8861 -148487.5228 302.0733 -183076.4089 -148392.3823 301.1498 -40.1826 -12.4800 557480.2839 -0.8793 -0.8549 PRESSURE: 4425400 -57.5873 45.4453 75.915 45.4443 -10.9321 114.095 75.9156 114.094 -145.123 GPRESSURE: 4425400 -60.2176 22.0429 123.716 75.7721 -18.8312 85.8855 83.825 20.6619 -33.7884 PRESSAVG: 4425400 67.6421 1.99054 4.36684 1.99054 -50.4323 -58.3354 4.36692 -58.3354 7.95845 GPRESSAVG: 4425400 67.6266 1.30342 5.86586 1.37576 -50.9633 -58.5142 6.42901 -57.8223 8.5695 TIMING: 4425400 CPU: 13296.6, 0.00305204/step Wall: 13296.6, 0.00305204/step, 0.487139 hours remaining, 208.558594 MB of memory in use. ENERGY: 4425400 764.9538 2119.7593 1982.4695 101.7657 -205584.4507 17584.7319 0.0000 0.0000 34472.0990 -148558.6715 301.0534 -183030.7705 -148464.9377 301.5735 -71.2140 -37.6124 558356.4898 8.3894 8.4109 PRESSURE: 4425600 -159.769 38.2527 -70.8784 38.2539 22.4001 -192.089 -70.8802 -192.087 199.684 GPRESSURE: 4425600 -173.283 24.644 -126.889 -46.9833 67.0598 -195.604 -43.3425 -187.865 258.616 PRESSAVG: 4425600 -16.1695 -9.45451 -13.2097 -9.45443 -12.089 -50.6453 -13.2097 -50.6455 72.9015 GPRESSAVG: 4425600 -17.6019 -9.96522 -12.5681 -8.68705 -11.9147 -50.2047 -13.5195 -50.8787 73.2308 TIMING: 4425600 CPU: 13297.2, 0.00305079/step Wall: 13297.2, 0.00305079/step, 0.486771 hours remaining, 208.558594 MB of memory in use. ENERGY: 4425600 790.9448 2078.2648 1960.5031 111.3479 -205665.5055 17819.6602 0.0000 0.0000 34478.5682 -148426.2164 301.1099 -182904.7846 -148338.2833 301.0613 20.7717 50.7978 559555.3069 14.8810 14.5714 PRESSURE: 4425800 -99.639 65.8028 -54.1682 65.8028 -191.465 92.0663 -54.1679 92.068 46.6848 GPRESSURE: 4425800 -61.6383 162.292 -80.6442 28.1156 -124.663 149.864 -24.6656 64.4641 45.55 PRESSAVG: 4425800 -58.4925 -1.20247 26.1476 -1.20244 -28.5707 31.0592 26.1476 31.0592 69.3485 GPRESSAVG: 4425800 -57.3559 -0.336089 25.9362 -1.33268 -29.3086 30.2168 25.2904 29.4485 69.0006 TIMING: 4425800 CPU: 13297.8, 0.00305599/step Wall: 13297.8, 0.00305599/step, 0.487431 hours remaining, 208.558594 MB of memory in use. ENERGY: 4425800 770.3695 2096.2601 1947.7958 111.3252 -205398.6403 17687.7369 0.0000 0.0000 34285.5860 -148499.5670 299.4245 -182785.1529 -148405.9784 300.9897 -81.4730 -46.9170 559521.1778 -5.9049 -5.8880 PRESSURE: 4426000 95.0456 -10.5686 60.88 -10.5681 -40.0492 -164.282 60.8799 -164.281 193.496 GPRESSURE: 4426000 75.4707 25.2051 -43.4889 -65.6375 44.4882 -205.487 85.8963 -94.4588 215.865 PRESSAVG: 4426000 -7.58871 -59.4303 16.1065 -59.4304 6.28868 19.1964 16.1065 19.1964 33.4844 GPRESSAVG: 4426000 -7.40804 -60.472 15.7518 -60.3449 7.72284 19.7574 16.7017 21.4744 31.8862 TIMING: 4426000 CPU: 13298.4, 0.00305307/step Wall: 13298.4, 0.00305307/step, 0.486796 hours remaining, 208.558594 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: 4426000 756.4153 2065.5083 1968.5050 110.2129 -205723.1383 17928.9914 0.0000 0.0000 34606.1252 -148287.3803 302.2239 -182893.5054 -148190.8003 301.4284 82.8308 111.9414 559318.5784 10.7281 10.7337 PRESSURE: 4426200 -68.8126 99.1775 21.1969 99.176 11.7362 96.0452 21.1975 96.0461 -44.1356 GPRESSURE: 4426200 -13.7207 116.196 55.3913 44.215 21.7834 33.5914 15.5247 97.0611 -15.2277 PRESSAVG: 4426200 -32.2861 -12.9635 25.6175 -12.9635 -35.7894 -7.36515 25.6174 -7.36513 89.8679 GPRESSAVG: 4426200 -31.8606 -13.2835 26.5932 -13.8127 -35.8877 -6.08434 25.8821 -7.66321 89.6303 TIMING: 4426200 CPU: 13299.1, 0.00306944/step Wall: 13299.1, 0.00306944/step, 0.489234 hours remaining, 208.558594 MB of memory in use. ENERGY: 4426200 718.6600 2083.1041 1970.7752 116.0489 -205547.9140 17599.4455 0.0000 0.0000 34627.6467 -148432.2335 302.4119 -183059.8802 -148330.0564 302.2533 -33.7373 -2.3883 559081.2147 7.2641 7.2940 PRESSURE: 4426400 -41.7304 13.4694 22.4645 13.4691 -42.9702 -253.633 22.4636 -253.632 -175.231 GPRESSURE: 4426400 50.4406 20.5333 -43.0478 22.3335 -66.4166 -275.71 -2.97649 -206.668 -144.497 PRESSAVG: 4426400 -30.2406 -23.8036 20.3988 -23.8036 39.0889 -3.25323 20.3987 -3.25309 33.7636 GPRESSAVG: 4426400 -30.3355 -22.7035 19.2391 -22.9086 37.2429 -3.76237 20.039 -3.52989 35.3897 TIMING: 4426400 CPU: 13299.7, 0.00305178/step Wall: 13299.7, 0.00305178/step, 0.48625 hours remaining, 208.558594 MB of memory in use. ENERGY: 4426400 797.6957 2015.6201 1936.1247 109.8354 -205455.9121 17697.1002 0.0000 0.0000 34548.1500 -148351.3860 301.7176 -182899.5360 -148255.1079 302.0920 -86.6438 -53.4911 558855.6451 14.2040 14.0990 PRESSURE: 4426600 -222.69 71.9008 18.303 71.8998 -246.819 218.009 18.3024 218.008 -103.588 GPRESSURE: 4426600 -188.174 80.8292 52.2001 53.2215 -231.376 137.57 29.4856 139.01 -67.0336 PRESSAVG: 4426600 41.2865 -46.0431 12.3789 -46.0431 -91.3047 -37.153 12.3789 -37.1531 12.4767 GPRESSAVG: 4426600 40.2646 -47.4147 13.5815 -46.1822 -90.3983 -37.4874 11.665 -36.38 11.8545 TIMING: 4426600 CPU: 13300.3, 0.00304658/step Wall: 13300.3, 0.00304658/step, 0.485253 hours remaining, 208.558594 MB of memory in use. ENERGY: 4426600 761.4074 2115.4434 1947.2572 114.0088 -205146.3249 17310.6441 0.0000 0.0000 34542.0018 -148355.5622 301.6639 -182897.5640 -148259.7214 301.9821 -191.0323 -162.1944 559942.7647 -12.5138 -12.7597 PRESSURE: 4426800 173.946 -85.6481 -23.8044 -85.6491 115.274 -43.8777 -23.8045 -43.8782 109.239 GPRESSURE: 4426800 190.503 -120.051 -42.6735 -112.063 121.733 -48.6811 -7.9974 -84.047 179.489 PRESSAVG: 4426800 32.246 -33.7558 17.7065 -33.7557 0.0365781 -39.9838 17.7064 -39.9837 -21.3468 GPRESSAVG: 4426800 32.586 -33.8428 17.5387 -32.3091 -0.861472 -37.8871 17.9909 -41.8979 -21.3008 TIMING: 4426800 CPU: 13300.9, 0.0030549/step Wall: 13300.9, 0.0030549/step, 0.486409 hours remaining, 208.558594 MB of memory in use. ENERGY: 4426800 770.1944 2113.7149 1931.6620 123.2005 -205830.8911 17961.9999 0.0000 0.0000 34527.9803 -148402.1391 301.5414 -182930.1194 -148303.6361 301.5585 132.8194 163.9084 557869.1710 3.6453 3.4746 PRESSURE: 4427000 -186.248 -119.507 174.424 -119.508 -173.231 -25.2227 174.425 -25.2221 -132.348 GPRESSURE: 4427000 -79.6548 -131.407 171.2 -24.0655 -185.723 -24.5638 166.331 -45.2842 -126.857 PRESSAVG: 4427000 -26.2991 -1.44648 3.70101 -1.44645 -19.0889 29.5292 3.7011 29.529 12.6511 GPRESSAVG: 4427000 -26.4368 -1.39721 3.77655 -0.653233 -19.0822 26.5985 3.75374 30.7691 12.4632 TIMING: 4427000 CPU: 13301.5, 0.00305012/step Wall: 13301.5, 0.00305012/step, 0.485478 hours remaining, 208.558594 MB of memory in use. ENERGY: 4427000 764.1331 2067.4032 1980.3933 123.6373 -205182.7924 17303.8693 0.0000 0.0000 34655.9752 -148287.3811 302.6593 -182943.3562 -148181.8428 301.9215 -163.9424 -130.7450 557417.6842 -10.9123 -11.0186 PRESSURE: 4427200 -316.597 121.765 75.3748 121.764 -279.988 -2.7809 75.3764 -2.78042 -155.498 GPRESSURE: 4427200 -258.669 103.704 107.463 99.2686 -213.746 -47.7081 21.941 48.7073 -162.002 PRESSAVG: 4427200 -8.81022 -9.04317 36.04 -9.04319 -96.6588 9.22995 36.0401 9.22993 90.7718 GPRESSAVG: 4427200 -9.32724 -10 35.7269 -8.57564 -96.1403 10.9028 35.7265 7.87354 90.7921 TIMING: 4427200 CPU: 13302.1, 0.00305761/step Wall: 13302.1, 0.00305761/step, 0.4865 hours remaining, 208.558594 MB of memory in use. ENERGY: 4427200 746.3308 2065.4318 1949.2150 118.3959 -205258.1781 17386.6855 0.0000 0.0000 34660.6240 -148331.4952 302.6998 -182992.1192 -148232.0617 302.1791 -250.6942 -211.4720 558920.2671 -4.8991 -4.8918 PRESSURE: 4427400 -186.78 -180.261 -91.3457 -180.261 -258.087 65.5217 -91.3464 65.522 -124.643 GPRESSURE: 4427400 -190.373 -151.088 -103.103 -137.899 -198.58 35.4445 -81.0852 86.5516 -97.1466 PRESSAVG: 4427400 -50.2388 -54.9759 26.371 -54.9758 4.37515 19.1349 26.371 19.135 50.0255 GPRESSAVG: 4427400 -50.0807 -54.8878 26.4468 -55.9143 4.28996 19.3788 26.1139 19.6051 49.6344 TIMING: 4427400 CPU: 13302.7, 0.00302769/step Wall: 13302.7, 0.00302769/step, 0.481571 hours remaining, 208.558594 MB of memory in use. ENERGY: 4427400 761.9517 2067.5180 1962.4407 116.4975 -205055.0964 17258.6064 0.0000 0.0000 34298.6497 -148589.4323 299.5386 -182888.0820 -148499.0817 301.4748 -189.8366 -162.0331 559063.3922 1.3873 1.2812 PRESSURE: 4427600 82.0943 135.094 92.0718 135.095 3.63636 133.396 92.0719 133.396 -92.2653 GPRESSURE: 4427600 100.211 193.417 93.6494 107.883 77.3764 108.4 79.1976 104.136 -79.6519 PRESSAVG: 4427600 56.9561 16.0439 -34.9092 16.0439 19.0841 14.8296 -34.909 14.8295 -6.98995 GPRESSAVG: 4427600 55.9414 15.6081 -37.3533 16.4573 19.8114 14.7622 -32.5169 13.7829 -6.41926 TIMING: 4427600 CPU: 13303.3, 0.00302287/step Wall: 13303.3, 0.00302287/step, 0.480636 hours remaining, 208.558594 MB of memory in use. ENERGY: 4427600 763.2421 2115.7182 1930.8227 112.7150 -205676.9305 17635.4377 0.0000 0.0000 34357.2616 -148761.7331 300.0505 -183118.9947 -148661.1910 301.0429 -2.1782 32.6450 557518.8436 23.0168 23.1112 PRESSURE: 4427800 76.7524 47.1312 54.9353 47.1307 -68.2764 49.2368 54.9348 49.2378 -158.94 GPRESSURE: 4427800 51.4335 23.4427 -42.6538 83.0289 -27.0137 94.2544 95.3832 -12.6892 -58.2716 PRESSAVG: 4427800 16.4676 -53.1338 -27.6479 -53.1336 67.6027 -20.2754 -27.6479 -20.2755 -91.0743 GPRESSAVG: 4427800 16.7233 -54.1297 -27.6597 -54.74 66.3401 -20.2915 -28.6598 -18.8613 -90.6185 TIMING: 4427800 CPU: 13303.9, 0.00304704/step Wall: 13303.9, 0.00304704/step, 0.48431 hours remaining, 208.558594 MB of memory in use. ENERGY: 4427800 757.4501 2090.6589 1967.8772 125.6318 -205724.5414 17748.4384 0.0000 0.0000 34332.8789 -148701.6062 299.8376 -183034.4851 -148605.1131 300.3231 -50.1548 -11.2840 558161.0499 -2.3347 -2.5184 PRESSURE: 4428000 -335.766 55.1276 -115.053 55.1272 13.0261 -65.8948 -115.053 -65.8945 -128.026 GPRESSURE: 4428000 -313.764 98.0669 -139.853 -19.8063 74.4102 -66.2884 -82.722 3.00964 -108.996 PRESSAVG: 4428000 -24.204 28.7851 -32.5048 28.7851 32.9574 -26.1008 -32.5047 -26.1008 -20.6727 GPRESSAVG: 4428000 -24.4482 29.6897 -30.8384 30.3567 33.1996 -25.7009 -32.9423 -24.9947 -20.6742 TIMING: 4428000 CPU: 13304.5, 0.00306153/step Wall: 13304.5, 0.00306153/step, 0.486442 hours remaining, 208.558594 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: 4428000 709.8847 2126.8987 1969.9385 98.9216 -205367.1402 17441.7664 0.0000 0.0000 34284.6105 -148735.1199 299.4160 -183019.7304 -148639.2487 300.5167 -150.2553 -116.1168 558854.5344 -3.9731 -3.9743 PRESSURE: 4428200 -255.191 42.1374 -44.7878 42.1375 -390.012 19.4323 -44.787 19.4327 -177.988 GPRESSURE: 4428200 -197.446 -16.5651 -75.3461 123.905 -366.143 51.8278 -20.6706 154.082 -162.642 PRESSAVG: 4428200 16.2013 -4.9917 -71.4005 -4.99168 -42.566 -3.65092 -71.4006 -3.65092 -12.7464 GPRESSAVG: 4428200 17.49 -2.41613 -74.2415 -8.35697 -41.8032 -2.65855 -71.356 -5.66422 -14.201 TIMING: 4428200 CPU: 13305.1, 0.00302429/step Wall: 13305.1, 0.00302429/step, 0.480358 hours remaining, 208.558594 MB of memory in use. ENERGY: 4428200 734.6455 2060.3031 1913.7813 103.8047 -205342.1254 17265.7280 0.0000 0.0000 34321.3779 -148942.4848 299.7371 -183263.8627 -148843.9561 299.6955 -274.3972 -242.0772 558452.5534 -13.0370 -12.8381 LDB: ============= START OF LOAD BALANCING ============== 13308.6 LDB: ============== END OF LOAD BALANCING =============== 13308.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13308.6 LDB: ============= START OF LOAD BALANCING ============== 13308.9 LDB: Largest compute 4820 load 0.025818 is 21.9% of average load 0.118121 LDB: Average compute 0.001743 is 1.5% of average load 0.118121 LDB: TIME 13308.9 LOAD: AVG 0.118121 MAX 0.216363 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.559 MB LDB: TIME 13308.9 LOAD: AVG 0.118121 MAX 0.216363 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.629 MB LDB: TIME 13308.9 LOAD: AVG 0.118121 MAX 0.216363 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.629 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13308.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13308.9 PRESSURE: 4428400 56.5747 43.2634 21.8514 43.264 169.698 -166.783 21.8514 -166.783 -29.4237 GPRESSURE: 4428400 65.0848 -12.1291 82.3492 46.6211 179.66 -167.337 0.772812 -176.636 49.4508 PRESSAVG: 4428400 26.8617 -35.8625 -6.10034 -35.8623 -55.6901 -46.3591 -6.10043 -46.3591 35.0661 GPRESSAVG: 4428400 25.8312 -39.998 -2.84366 -33.1471 -55.3249 -47.0858 -7.78912 -45.7703 36.5532 TIMING: 4428400 CPU: 13305.8, 0.00308769/step Wall: 13305.8, 0.00308769/step, 0.490256 hours remaining, 207.078125 MB of memory in use. ENERGY: 4428400 757.3960 2066.9593 1916.5872 110.4371 -206129.6941 17827.7853 0.0000 0.0000 34434.6125 -149015.9167 300.7260 -183450.5292 -148927.6730 299.8431 65.6163 98.0651 556974.9008 2.0792 2.3532 PRESSURE: 4428600 174.732 -4.13988 3.62094 -4.13991 -123.388 67.3627 3.62091 67.3611 -255.048 GPRESSURE: 4428600 119.345 -13.3889 52.2666 -51.3339 -20.3237 110.122 7.87786 -10.8954 -207.728 PRESSAVG: 4428600 -31.8603 -55.7235 -6.74327 -55.7234 0.152985 -34.9275 -6.74324 -34.9274 -13.4584 GPRESSAVG: 4428600 -31.5678 -51.901 -6.19773 -57.0611 -0.170915 -34.4964 -8.39155 -35.7035 -14.0822 TIMING: 4428600 CPU: 13306.4, 0.00304658/step Wall: 13306.4, 0.00304658/step, 0.483561 hours remaining, 207.078125 MB of memory in use. ENERGY: 4428600 769.2580 2019.9206 1937.3138 100.2001 -205897.2102 17677.1981 0.0000 0.0000 34351.8063 -149041.5131 300.0029 -183393.3195 -148950.9397 299.7900 -67.9013 -36.2355 557019.9474 -15.0552 -15.2736 PRESSURE: 4428800 -73.12 189.754 283.567 189.754 50.5622 -93.3666 283.567 -93.3664 -78.8463 GPRESSURE: 4428800 -70.4662 158.966 284.68 157.048 69.0611 -77.761 205.254 -46.5088 -7.58274 PRESSAVG: 4428800 31.3382 -20.3508 11.3547 -20.3507 -6.19199 -27.0193 11.3546 -27.0192 -5.467 GPRESSAVG: 4428800 31.9699 -20.0177 9.36848 -21.382 -6.68126 -26.7424 14.9531 -24.5497 -5.31995 TIMING: 4428800 CPU: 13307, 0.00304056/step Wall: 13307, 0.00304056/step, 0.482435 hours remaining, 207.078125 MB of memory in use. ENERGY: 4428800 745.1614 2084.0334 1950.6116 110.1198 -206117.9037 17824.6683 0.0000 0.0000 34257.0022 -149146.3071 299.1749 -183403.3093 -149053.5538 299.9325 -33.8013 -2.9960 557243.6320 6.5597 6.6562 PRESSURE: 4429000 -453.324 -17.3952 13.277 -17.3941 -73.4556 -31.461 13.2762 -31.4621 -182.253 GPRESSURE: 4429000 -402.999 39.4932 49.9953 -44.9892 -57.1362 -21.2497 -52.6686 38.0967 -142.095 PRESSAVG: 4429000 5.75324 4.5965 52.472 4.59652 -14.4401 14.1179 52.4719 14.118 4.77572 GPRESSAVG: 4429000 5.63138 3.50565 51.7611 6.1511 -14.1972 12.6914 53.0217 12.9816 5.34454 TIMING: 4429000 CPU: 13307.6, 0.00303112/step Wall: 13307.6, 0.00303112/step, 0.480769 hours remaining, 207.078125 MB of memory in use. ENERGY: 4429000 745.9276 2124.5547 1923.8029 121.9585 -205697.7177 17475.2122 0.0000 0.0000 34298.0841 -149008.1777 299.5337 -183306.2618 -148913.6733 299.6059 -236.3441 -200.7434 559756.6766 -1.3037 -1.0738 PRESSURE: 4429200 36.3127 -43.0077 -10.5063 -43.0064 109.01 82.0963 -10.5066 82.0943 -3.08838 GPRESSURE: 4429200 58.4719 -35.4967 -4.83773 -80.2432 128.488 126.635 -22.0828 29.3898 54.931 PRESSAVG: 4429200 15.5293 -32.0707 43.6447 -32.0707 -10.7848 5.6357 43.6447 5.63583 3.75354 GPRESSAVG: 4429200 16.0584 -32.8637 44.22 -32.1523 -11.8137 5.24573 42.8503 6.27119 4.49148 TIMING: 4429200 CPU: 13308.2, 0.00305538/step Wall: 13308.2, 0.00305538/step, 0.484447 hours remaining, 207.078125 MB of memory in use. ENERGY: 4429200 769.9462 2064.3619 1925.5441 110.1636 -206129.4399 17920.8109 0.0000 0.0000 34314.4677 -149024.1456 299.6768 -183338.6133 -148932.0938 300.1522 47.4115 80.6302 557209.1596 2.8327 2.9121 PRESSURE: 4429400 -140.749 -98.7593 -317.306 -98.7607 -402.583 26.9175 -317.307 26.9179 -235.882 GPRESSURE: 4429400 -105.042 -137.152 -353.759 -114.897 -371.621 6.28556 -281.581 18.1303 -207.123 PRESSAVG: 4429400 49.5581 -20.0569 -9.18037 -20.0569 56.082 -35.5641 -9.18036 -35.564 -53.0218 GPRESSAVG: 4429400 49.2081 -16.1495 -9.15653 -21.4297 56.6882 -34.4485 -10.8813 -34.8541 -52.7964 TIMING: 4429400 CPU: 13308.8, 0.00303719/step Wall: 13308.8, 0.00303719/step, 0.481394 hours remaining, 207.078125 MB of memory in use. ENERGY: 4429400 748.1147 2083.3000 1945.2072 114.1481 -205607.3305 17450.6696 0.0000 0.0000 34267.6069 -148998.2841 299.2675 -183265.8910 -148902.9675 299.8644 -259.7379 -227.9288 558310.7652 17.5395 17.6999 PRESSURE: 4429600 -42.8311 57.7033 73.0272 57.7028 -89.0598 -228.964 73.0271 -228.964 54.1729 GPRESSURE: 4429600 2.24938 131.028 74.8732 20.5303 -51.6353 -167.844 100.32 -172.721 86.343 PRESSAVG: 4429600 -10.8628 5.81758 24.7483 5.81759 -14.9453 5.01262 24.7483 5.01246 34.7846 GPRESSAVG: 4429600 -10.3157 1.7847 22.1146 9.66651 -14.6235 5.41586 29.0283 2.95649 34.089 TIMING: 4429600 CPU: 13309.4, 0.00304589/step Wall: 13309.4, 0.00304589/step, 0.482604 hours remaining, 207.078125 MB of memory in use. ENERGY: 4429600 753.0631 2044.3032 1933.8823 119.3001 -206056.8644 17828.6726 0.0000 0.0000 34469.1814 -148908.4616 301.0279 -183377.6430 -148804.7964 299.7088 -25.9060 12.3190 557824.1031 2.9922 3.0500 PRESSURE: 4429800 107.736 37.8967 274.178 37.897 44.6968 7.67186 274.179 7.67128 -15.1616 GPRESSURE: 4429800 173.322 47.3958 180.508 116.817 86.9186 52.5216 328.957 -130.637 -22.2019 PRESSAVG: 4429800 -24.5574 -4.34398 -36.3716 -4.34398 5.99434 -7.35701 -36.3716 -7.357 25.9892 GPRESSAVG: 4429800 -24.0474 0.57121 -33.3673 -10.7232 5.28502 -7.11426 -39.4379 -7.374 26.4608 TIMING: 4429800 CPU: 13310, 0.00303981/step Wall: 13310, 0.00303981/step, 0.481472 hours remaining, 207.078125 MB of memory in use. ENERGY: 4429800 777.8023 2071.1208 1931.7769 104.9453 -206162.3638 17889.1201 0.0000 0.0000 34487.0857 -148900.5128 301.1843 -183387.5985 -148804.2421 300.2329 45.7572 79.3462 556604.9513 2.4754 2.5661 PRESSURE: 4430000 303.846 -5.16169 3.50971 -5.16234 -9.65661 6.9156 3.51016 6.91544 -75.3231 GPRESSURE: 4430000 342.321 29.9305 -47.382 -80.4034 8.41738 37.6022 43.3099 36.8906 -35.4229 PRESSAVG: 4430000 79.48 -6.12493 44.8245 -6.12486 -33.8369 -20.5223 44.8246 -20.5222 -41.1333 GPRESSAVG: 4430000 78.738 -8.52597 42.3853 -4.07686 -33.4853 -18.9739 46.8861 -19.8042 -41.3908 TIMING: 4430000 CPU: 13310.6, 0.00305115/step Wall: 13310.6, 0.00305115/step, 0.483098 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: 4430000 762.5181 2105.5587 1939.4353 113.8164 -206306.4391 17882.3396 0.0000 0.0000 34515.6106 -148987.1603 301.4334 -183502.7709 -148879.6094 300.2099 72.9555 105.1050 558144.2564 1.5032 1.2873 PRESSURE: 4430200 -108.636 13.1082 -29.9407 13.1073 -184.117 -83.911 -29.9398 -83.91 -227.08 GPRESSURE: 4430200 -66.9479 5.69502 -112.888 15.1948 -183.955 -73.4689 -29.9459 -68.4039 -165.682 PRESSAVG: 4430200 75.4041 -37.3694 -3.859 -37.3694 -36.1719 21.2459 -3.85892 21.2459 -66.8778 GPRESSAVG: 4430200 75.8083 -40.1265 -2.44763 -36.6119 -37.7803 18.5952 -4.75828 22.0756 -66.1481 TIMING: 4430200 CPU: 13311.2, 0.00302957/step Wall: 13311.2, 0.00302957/step, 0.479514 hours remaining, 207.078125 MB of memory in use. ENERGY: 4430200 760.7378 2142.6317 1945.1866 116.6373 -206114.5560 17641.0201 0.0000 0.0000 34371.3079 -149137.0348 300.1732 -183508.3426 -149038.6783 299.6674 -173.2775 -138.8617 558927.6094 -9.2152 -9.3734 PRESSURE: 4430400 77.9641 -87.183 -52.7327 -87.1831 -186.329 28.6748 -52.7331 28.6748 -271.18 GPRESSURE: 4430400 135.115 -54.4137 -92.2665 -123.024 -180.865 17.6294 -66.6844 -89.3437 -242.008 PRESSAVG: 4430400 6.40556 -50.8417 -11.5287 -50.8418 12.0937 -8.99223 -11.5287 -8.99218 -37.3839 GPRESSAVG: 4430400 5.94841 -50.1369 -12.9911 -48.5263 14.1668 -9.42885 -10.2292 -7.16729 -38.7104 TIMING: 4430400 CPU: 13311.8, 0.00303075/step Wall: 13311.8, 0.00303075/step, 0.479531 hours remaining, 207.078125 MB of memory in use. ENERGY: 4430400 741.2617 2047.2518 1951.7122 122.3563 -205952.5273 17617.6980 0.0000 0.0000 34166.7095 -149305.5379 298.3864 -183472.2474 -149212.4206 299.8040 -126.5149 -95.9192 557757.3037 -6.2949 -6.1984 PRESSURE: 4430600 13.8019 -74.1182 -149.952 -74.1176 188.999 -53.345 -149.953 -53.3441 -310.696 GPRESSURE: 4430600 90.8871 -57.0196 -212.356 -88.587 229.588 -94.3002 -31.0069 -76.3077 -324.542 PRESSAVG: 4430600 50.6641 -55.1974 -4.79668 -55.1974 94.4014 -39.7542 -4.79664 -39.7543 -81.2281 GPRESSAVG: 4430600 51.5132 -55.7244 -3.59092 -56.8792 93.5756 -39.3311 -5.0089 -43.0128 -80.9303 TIMING: 4430600 CPU: 13312.5, 0.00303157/step Wall: 13312.5, 0.00303157/step, 0.479494 hours remaining, 207.078125 MB of memory in use. ENERGY: 4430600 725.0640 2128.2241 1953.2462 117.6441 -206532.9603 17897.3818 0.0000 0.0000 34242.8964 -149468.5038 299.0517 -183711.4002 -149371.7806 299.1042 -35.9650 -1.3555 557330.7954 21.2791 21.3862 PRESSURE: 4430800 -189.847 61.1803 82.9087 61.1793 -173.443 -75.9047 82.9084 -75.9045 -61.191 GPRESSURE: 4430800 -162.562 14.0285 102.729 38.3774 -91.6927 -22.8509 91.2788 -106.217 -63.0044 PRESSAVG: 4430800 -38.2146 -17.5374 2.72394 -17.5374 58.5934 -11.039 2.72378 -11.039 -13.8513 GPRESSAVG: 4430800 -38.3704 -16.8419 2.8535 -15.4142 58.0682 -11.5514 1.47167 -10.2296 -13.6077 TIMING: 4430800 CPU: 13313.1, 0.0030238/step Wall: 13313.1, 0.0030238/step, 0.478096 hours remaining, 207.078125 MB of memory in use. ENERGY: 4430800 758.9505 2076.5072 1930.9931 114.4706 -206114.9383 17776.6589 0.0000 0.0000 33998.1590 -149459.1992 296.9144 -183457.3582 -149362.8810 298.7747 -141.4939 -105.7530 558051.8592 2.1758 2.0300 PRESSURE: 4431000 95.0247 -35.4134 38.6275 -35.4121 130.378 30.2334 38.6283 30.2341 -139.195 GPRESSURE: 4431000 156.411 -14.7137 31.599 2.8319 93.4755 31.1335 39.7834 -29.7667 -67.8359 PRESSAVG: 4431000 58.5368 -62.2756 -38.2248 -62.2755 -6.49779 -7.11165 -38.2248 -7.11164 -9.68631 GPRESSAVG: 4431000 58.4754 -62.0563 -39.5068 -64.665 -6.14187 -6.16391 -36.9561 -7.46344 -10.2816 TIMING: 4431000 CPU: 13313.7, 0.00303372/step Wall: 13313.7, 0.00303372/step, 0.479497 hours remaining, 207.078125 MB of memory in use. ENERGY: 4431000 759.2868 2083.8631 1968.3061 103.4213 -206862.3635 18198.9510 0.0000 0.0000 34310.2352 -149438.2999 299.6398 -183748.5351 -149337.9754 298.4279 28.7356 60.6835 557151.4273 14.1176 14.0173 PRESSURE: 4431200 99.8947 -28.7459 -23.7855 -28.7466 150.166 101.685 -23.7844 101.684 8.59932 GPRESSURE: 4431200 177.619 -51.9087 -35.5248 -68.3016 118.808 98.7523 -3.78877 79.543 53.2347 PRESSAVG: 4431200 21.2377 -5.6785 -41.628 -5.67845 -9.95468 12.9164 -41.628 12.9163 -25.3932 GPRESSAVG: 4431200 21.7093 -3.6844 -41.3038 -5.2074 -11.5333 12.5479 -42.9971 12.3401 -23.6491 TIMING: 4431200 CPU: 13314.3, 0.0030601/step Wall: 13314.3, 0.0030601/step, 0.483496 hours remaining, 207.078125 MB of memory in use. ENERGY: 4431200 743.2958 2111.9901 1959.0693 113.7129 -206783.7849 18208.3392 0.0000 0.0000 34123.4862 -149523.8914 298.0089 -183647.3776 -149424.1681 298.3177 86.2201 116.5540 557670.7800 -4.7034 -4.4910 PRESSURE: 4431400 -12.3081 24.1396 183.144 24.1394 28.5813 63.1293 183.144 63.1301 24.2187 GPRESSURE: 4431400 67.7241 39.4375 152.454 4.84193 -22.4095 -8.70506 220.381 147.953 100.892 PRESSAVG: 4431400 3.08365 -5.05581 46.966 -5.05587 -31.5758 32.4768 46.966 32.4768 -2.36651 GPRESSAVG: 4431400 2.00487 -5.95092 48.7198 -4.30345 -30.1148 32.3615 46.007 32.9219 -2.9589 TIMING: 4431400 CPU: 13314.9, 0.00304529/step Wall: 13314.9, 0.00304529/step, 0.480986 hours remaining, 207.078125 MB of memory in use. ENERGY: 4431400 773.2353 2031.4774 1945.9374 112.3908 -206146.6922 17741.5675 0.0000 0.0000 34219.9997 -149322.0841 298.8518 -183542.0838 -149227.6034 298.2732 13.4973 48.7354 558121.7751 -10.2862 -10.3563 PRESSURE: 4431600 -201.351 -6.08281 -41.046 -6.08313 115.345 -39.758 -41.0472 -39.7582 264.754 GPRESSURE: 4431600 -156.925 10.8721 -47.1511 45.2106 112.118 -48.6464 -73.4798 -4.23403 308.991 PRESSAVG: 4431600 -27.3525 -18.2561 -12.0139 -18.256 24.2525 -54.7778 -12.014 -54.7778 -7.24074 GPRESSAVG: 4431600 -28.2073 -18.3421 -14.5639 -18.8585 25.6091 -55.4229 -10.251 -55.6692 -7.33487 TIMING: 4431600 CPU: 13315.5, 0.00306088/step Wall: 13315.5, 0.00306088/step, 0.483279 hours remaining, 207.078125 MB of memory in use. ENERGY: 4431600 760.0734 2075.2962 1931.0492 112.3975 -206270.4909 17881.0390 0.0000 0.0000 34282.5701 -149228.0655 299.3982 -183510.6357 -149130.8723 298.5100 59.5826 88.0615 557251.8237 -3.4469 -3.3110 PRESSURE: 4431800 -9.01203 -174.176 147.612 -174.175 -219.611 -60.1579 147.613 -60.1572 -113.425 GPRESSURE: 4431800 40.8808 -205.783 89.5729 -124.396 -210.394 -44.1602 203.466 -103.124 -78.6237 PRESSAVG: 4431800 31.2858 -9.71865 5.19632 -9.71864 16.2358 30.3504 5.19641 30.3504 -3.5246 GPRESSAVG: 4431800 30.4236 -8.94875 7.24262 -10.0089 16.0224 31.8122 3.62545 30.4805 -2.69133 TIMING: 4431800 CPU: 13316.1, 0.00305747/step Wall: 13316.1, 0.00305747/step, 0.482571 hours remaining, 207.078125 MB of memory in use. ENERGY: 4431800 745.5783 2111.7117 1961.0733 111.1246 -206084.6900 17690.4552 0.0000 0.0000 34044.9483 -149419.7986 297.3230 -183464.7468 -149319.9625 299.0235 -114.0163 -82.7123 557979.1842 14.6657 14.5849 PRESSURE: 4432000 141.183 -78.9832 9.25389 -78.9824 145.103 26.5632 9.25429 26.5612 385.693 GPRESSURE: 4432000 234.469 -59.5862 -26.7212 -30.9165 163.939 -83.3091 78.6378 16.4853 380.944 PRESSAVG: 4432000 2.916 -50.5327 18.6581 -50.5327 -66.8444 -32.9046 18.6581 -32.9046 63.9781 GPRESSAVG: 4432000 3.48664 -50.218 17.6627 -51.7722 -67.4848 -35.1143 17.9559 -32.6307 63.8585 TIMING: 4432000 CPU: 13316.7, 0.00305333/step Wall: 13316.7, 0.00305333/step, 0.481747 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: 4432000 711.9771 2082.6985 1921.8684 117.4161 -206593.0180 18065.4979 0.0000 0.0000 34072.1673 -149621.3928 297.5607 -183693.5600 -149527.2204 298.6526 223.9926 259.7843 555384.9169 0.0166 -0.0466 PRESSURE: 4432200 93.5168 -55.2362 4.01781 -55.2359 266.289 -67.8595 4.01702 -67.8587 164.507 GPRESSURE: 4432200 111.656 -124.704 -77.7966 -113.125 266.477 -112.322 153.209 6.29962 240.668 PRESSAVG: 4432200 10.8186 44.0527 16.2025 44.0527 -63.8812 -0.0736204 16.2025 -0.0736305 58.6271 GPRESSAVG: 4432200 11.9686 42.2592 16.9212 45.8477 -65.1407 1.36925 17.3661 -0.141695 58.4337 TIMING: 4432200 CPU: 13317.3, 0.00304863/step Wall: 13317.3, 0.00304863/step, 0.480837 hours remaining, 207.078125 MB of memory in use. ENERGY: 4432200 721.4897 2020.0200 1968.5472 111.9948 -206826.8641 18067.4070 0.0000 0.0000 34259.7220 -149677.6834 299.1987 -183937.4054 -149573.6958 297.5006 174.7710 206.2671 556082.1328 1.8548 1.7539 LDB: ============= START OF LOAD BALANCING ============== 13320.8 LDB: ============== END OF LOAD BALANCING =============== 13320.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13320.8 LDB: ============= START OF LOAD BALANCING ============== 13321.1 LDB: Largest compute 4820 load 0.024645 is 20.9% of average load 0.118098 LDB: Average compute 0.001739 is 1.5% of average load 0.118098 LDB: TIME 13321.1 LOAD: AVG 0.118098 MAX 0.219854 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.359 MB LDB: TIME 13321.1 LOAD: AVG 0.118098 MAX 0.219854 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.359 MB LDB: TIME 13321.1 LOAD: AVG 0.118098 MAX 0.219854 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.359 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13321.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13321.1 PRESSURE: 4432400 -291.37 45.8673 196.411 45.8663 -184.809 25.2939 196.411 25.2943 -182.782 GPRESSURE: 4432400 -272.895 30.871 163.149 64.9088 -104.798 87.0775 83.5678 28.9997 -181.63 PRESSAVG: 4432400 -37.2099 26.2393 4.24407 26.2394 -8.95355 7.59536 4.24409 7.59551 47.3389 GPRESSAVG: 4432400 -37.0881 25.8433 5.16281 27.0715 -6.28357 7.22946 3.89458 7.0607 44.4924 TIMING: 4432400 CPU: 13317.9, 0.0030783/step Wall: 13317.9, 0.0030783/step, 0.485346 hours remaining, 208.343750 MB of memory in use. ENERGY: 4432400 740.1562 2063.6505 1959.2019 105.4951 -206082.6269 17508.2841 0.0000 0.0000 34063.7031 -149642.1361 297.4868 -183705.8392 -149541.3173 297.6058 -219.6537 -186.4409 557647.0953 0.3918 0.3736 PRESSURE: 4432600 181.87 39.5847 -77.6205 39.5854 125.852 105.312 -77.6213 105.311 65.3539 GPRESSURE: 4432600 161.94 64.38 -53.0655 -8.59187 164.521 69.1989 -48.8541 156.744 154.796 PRESSAVG: 4432600 27.3675 17.8912 41.2426 17.8912 -28.8394 3.96264 41.2426 3.96268 27.7531 GPRESSAVG: 4432600 26.7322 18.4716 40.6122 17.3226 -29.8472 4.51595 42.5636 3.54486 29.4755 TIMING: 4432600 CPU: 13318.5, 0.0030078/step Wall: 13318.5, 0.00300781/step, 0.474064 hours remaining, 208.585938 MB of memory in use. ENERGY: 4432600 715.8881 1978.6655 1957.2939 114.2267 -206532.5845 18233.6759 0.0000 0.0000 34012.3242 -149520.5102 297.0381 -183532.8344 -149428.0271 297.7708 124.3585 160.4191 558833.1914 8.7604 8.7868 PRESSURE: 4432800 -19.7622 -30.3797 -89.1188 -30.3808 -27.3583 70.8691 -89.1209 70.8698 89.9508 GPRESSURE: 4432800 -12.0132 -33.962 -65.4248 -4.66824 3.51529 60.5564 -52.1535 148.102 161.248 PRESSAVG: 4432800 56.9625 46.1718 4.94706 46.1717 -27.9043 4.73121 4.94708 4.73116 1.56036 GPRESSAVG: 4432800 55.6744 45.3654 3.82699 45.1177 -27.6126 3.36149 4.16775 6.64784 2.83582 TIMING: 4432800 CPU: 13319.1, 0.00301206/step Wall: 13319.1, 0.00301206/step, 0.474567 hours remaining, 208.585938 MB of memory in use. ENERGY: 4432800 724.4100 2013.5495 1938.1968 105.9240 -206620.9576 18072.1541 0.0000 0.0000 34102.7025 -149664.0206 297.8274 -183766.7231 -149566.4732 297.7620 14.2768 50.9166 558813.7320 10.2062 10.2992 PRESSURE: 4433000 -19.5045 -84.3471 140.124 -84.3483 -600.284 -94.7067 140.123 -94.7066 -77.9767 GPRESSURE: 4433000 35.0775 -59.9012 39.9006 -74.0487 -540.895 -125.451 217.112 -73.7665 -85.2546 PRESSAVG: 4433000 6.3427 -60.0618 -27.5684 -60.0618 -76.214 -5.31302 -27.5684 -5.31295 82.1524 GPRESSAVG: 4433000 7.13907 -57.8387 -26.9978 -61.8984 -77.3893 -4.81625 -27.4232 -6.29134 82.3884 TIMING: 4433000 CPU: 13319.8, 0.00301817/step Wall: 13319.8, 0.00301817/step, 0.475361 hours remaining, 208.585938 MB of memory in use. ENERGY: 4433000 767.7425 2059.1719 1941.0158 114.7153 -205983.7077 17550.6545 0.0000 0.0000 34063.1600 -149487.2478 297.4820 -183550.4077 -149395.2214 297.0085 -232.5885 -197.0241 559090.8612 4.0937 4.0460 PRESSURE: 4433200 -264.139 -118.547 -284.141 -118.547 61.7351 -67.7226 -284.141 -67.7236 -44.7312 GPRESSURE: 4433200 -193.929 -154.255 -233.29 -103.837 64.7847 -68.0521 -296.325 -68.5985 -24.364 PRESSAVG: 4433200 -57.0988 -42.0659 -28.4264 -42.0659 -4.22358 -24.6232 -28.4264 -24.6232 63.7482 GPRESSAVG: 4433200 -56.0335 -42.9247 -30.2777 -39.9414 -3.87526 -23.2875 -26.8019 -25.3546 62.46 TIMING: 4433200 CPU: 13320.4, 0.00302201/step Wall: 13320.4, 0.00302201/step, 0.475798 hours remaining, 208.585938 MB of memory in use. ENERGY: 4433200 763.6033 2009.2098 1961.2558 104.1540 -206235.2968 17847.8901 0.0000 0.0000 34129.7012 -149419.4827 298.0632 -183549.1839 -149331.7830 299.1471 -82.3783 -51.1696 558701.1799 0.8086 0.8504 PRESSURE: 4433400 279.632 -24.2857 -112.901 -24.2855 -91.5485 53.3229 -112.901 53.3221 -191.242 GPRESSURE: 4433400 356.382 -99.3011 -154.701 3.98333 -129.074 146.146 -72.9329 -59.8485 -156.805 PRESSAVG: 4433400 -70.0862 14.2924 -44.1323 14.2925 34.7091 9.41316 -44.1322 9.41316 -22.2464 GPRESSAVG: 4433400 -70.2386 14.3415 -41.1428 12.5919 33.8554 10.1619 -46.2653 9.28018 -21.3814 TIMING: 4433400 CPU: 13321, 0.00302618/step Wall: 13321, 0.00302618/step, 0.476287 hours remaining, 208.585938 MB of memory in use. ENERGY: 4433400 759.2680 2080.0453 1950.7294 110.4200 -206627.3680 17976.9481 0.0000 0.0000 34447.0769 -149302.8803 300.8349 -183749.9572 -149202.6430 299.1121 -1.0529 23.5010 556764.8004 -19.2078 -19.2549 PRESSURE: 4433600 329.263 43.3289 -103.132 43.3281 -132.713 -31.0894 -103.131 -31.0885 216.627 GPRESSURE: 4433600 342.124 -4.21669 -10.1445 86.9287 -71.9613 -87.6766 -163.36 -57.0251 236.683 PRESSAVG: 4433600 19.7845 44.5421 -34.8638 44.5421 -11.2298 21.4734 -34.8637 21.4734 15.2233 GPRESSAVG: 4433600 19.8274 44.8796 -36.517 42.838 -11.02 18.7091 -33.9412 21.9152 14.9269 TIMING: 4433600 CPU: 13321.6, 0.00302673/step Wall: 13321.6, 0.00302673/step, 0.476206 hours remaining, 208.585938 MB of memory in use. ENERGY: 4433600 781.4407 2054.7588 1956.1284 122.6337 -206294.5991 18006.9589 0.0000 0.0000 34255.2862 -149117.3925 299.1599 -183372.6787 -149016.8733 299.3409 137.7256 168.9484 557476.9419 7.9260 7.9114 PRESSURE: 4433800 87.4382 7.07245 91.8432 7.07311 -323.393 10.0156 91.8443 10.0153 13.9272 GPRESSURE: 4433800 167.979 -7.43969 62.9281 -52.4468 -269.984 106.604 54.2882 -71.3679 -22.8675 PRESSAVG: 4433800 -27.9215 24.5497 -6.31167 24.5496 27.0433 -43.6936 -6.31167 -43.6937 -44.7035 GPRESSAVG: 4433800 -27.6215 22.7557 -6.61367 27.5936 27.4207 -43.494 -6.39996 -43.0576 -45.2897 TIMING: 4433800 CPU: 13322.2, 0.00304226/step Wall: 13322.2, 0.00304226/step, 0.47848 hours remaining, 208.585938 MB of memory in use. ENERGY: 4433800 746.8372 2099.1979 1949.9024 112.9881 -205828.3193 17666.5661 0.0000 0.0000 34290.3575 -148962.4700 299.4662 -183252.8276 -148866.4840 299.5816 -74.0093 -41.6242 558478.3895 -15.1939 -15.1635 PRESSURE: 4434000 125.75 34.7076 222.987 34.7058 -105.777 154.76 222.988 154.762 154.141 GPRESSURE: 4434000 120.257 -10.6197 178.609 124.497 -85.5717 143.104 168.446 196.328 228.271 PRESSAVG: 4434000 8.43475 4.5177 -8.64257 4.51767 3.80897 -5.42445 -8.64253 -5.42452 14.7389 GPRESSAVG: 4434000 7.99634 5.95656 -8.80127 3.85535 3.79442 -4.01615 -10.3646 -4.81275 15.8353 TIMING: 4434000 CPU: 13322.8, 0.00304247/step Wall: 13322.8, 0.00304247/step, 0.478343 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: 4434000 776.9601 2025.7764 1950.9570 104.8886 -206012.7317 17871.1573 0.0000 0.0000 34294.0441 -148988.9483 299.4984 -183282.9924 -148887.1467 299.2013 58.0380 87.6522 557491.7488 8.9942 9.2087 PRESSURE: 4434200 -130.147 -24.0506 11.9814 -24.0506 -120.422 -73.9967 11.9821 -73.9978 -82.6589 GPRESSURE: 4434200 -120.271 8.2613 15.2378 25.7584 -120.447 7.34134 -1.99502 -47.0323 -4.07607 PRESSAVG: 4434200 -33.6148 27.3752 -13.7675 27.3751 -30.2261 1.68803 -13.7675 1.68793 75.9254 GPRESSAVG: 4434200 -33.1258 28.072 -10.5487 28.1442 -30.2525 2.62814 -12.6 -0.872843 75.0718 TIMING: 4434200 CPU: 13323.4, 0.00304091/step Wall: 13323.4, 0.00304091/step, 0.477929 hours remaining, 208.585938 MB of memory in use. ENERGY: 4434200 795.7078 2049.8381 1922.9269 106.2615 -205918.5611 17789.5468 0.0000 0.0000 34328.1779 -148926.1020 299.7965 -183254.2800 -148824.7170 299.8346 -111.0760 -81.5982 558395.0693 4.0282 3.8978 PRESSURE: 4434400 -41.501 -21.9082 -128.607 -21.9081 121.707 -155.811 -128.608 -155.811 90.8167 GPRESSURE: 4434400 -11.4198 22.6145 -58.8086 -17.491 131.945 -165.331 -79.8745 -155.557 139.649 PRESSAVG: 4434400 -55.994 1.26681 0.792706 1.26681 27.3835 -45.7608 0.792735 -45.7609 41.9612 GPRESSAVG: 4434400 -57.2947 1.55719 -1.1697 -0.62781 27.4081 -48.3123 1.78958 -44.624 43.2704 TIMING: 4434400 CPU: 13324, 0.00303993/step Wall: 13324, 0.00303993/step, 0.477607 hours remaining, 208.585938 MB of memory in use. ENERGY: 4434400 765.8786 2059.7127 1945.5876 119.3099 -206242.6649 18048.1120 0.0000 0.0000 34215.8622 -149088.2017 298.8156 -183304.0640 -148987.7247 300.2943 57.0076 86.7246 558472.5284 4.4502 4.4613 PRESSURE: 4434600 -29.0293 -35.4331 -0.868653 -35.4327 -265.147 34.3084 -0.869016 34.3065 -60.133 GPRESSURE: 4434600 -12.2426 -118.465 64.8618 34.2008 -251.191 -67.6906 -86.3112 44.8932 -5.61193 PRESSAVG: 4434600 -59.2475 -18.5412 -33.4332 -18.5412 -35.8604 39.7192 -33.4332 39.7193 124.237 GPRESSAVG: 4434600 -58.3667 -20.3966 -33.4858 -17.0547 -36.8352 41.4213 -33.9555 38.8565 124.33 TIMING: 4434600 CPU: 13324.6, 0.00306598/step Wall: 13324.6, 0.00306598/step, 0.481529 hours remaining, 208.585938 MB of memory in use. ENERGY: 4434600 760.5408 2082.0876 1965.3350 110.4706 -206079.7071 17631.2865 0.0000 0.0000 34441.6170 -149088.3696 300.7872 -183529.9866 -148993.2789 299.5503 -118.1032 -89.6818 556824.9256 9.7096 9.7093 PRESSURE: 4434800 -42.9226 61.9547 58.0801 61.9555 -186.899 3.41479 58.0806 3.41445 24.0094 GPRESSURE: 4434800 13.2103 113.376 76.3762 -33.3045 -153.746 3.54111 1.66179 55.9864 38.7014 PRESSAVG: 4434800 -59.658 19.6309 -31.7228 19.6309 30.11 -16.0037 -31.7228 -16.0036 32.7192 GPRESSAVG: 4434800 -59.8992 19.6129 -33.2125 19.6331 31.4811 -17.6152 -30.1682 -14.1332 31.0347 TIMING: 4434800 CPU: 13325.2, 0.00304479/step Wall: 13325.2, 0.00304479/step, 0.478031 hours remaining, 208.585938 MB of memory in use. ENERGY: 4434800 781.1466 2019.5245 1902.6567 103.7745 -205878.6597 17767.4445 0.0000 0.0000 34264.8514 -149039.2614 299.2435 -183304.1128 -148935.5347 299.3638 -68.6042 -33.9446 557549.5340 1.0570 0.8722 PRESSURE: 4435000 -51.6371 91.1875 -42.6833 91.187 -12.9633 67.4709 -42.6835 67.4721 278.374 GPRESSURE: 4435000 6.64069 47.4924 -34.5228 154.365 24.8998 -9.12621 -21.2032 101.668 276.223 PRESSAVG: 4435000 5.94001 19.7251 -31.6635 19.7251 -67.4999 24.8752 -31.6635 24.8751 64.9815 GPRESSAVG: 4435000 5.09699 20.2032 -29.5982 19.2662 -68.3881 26.4335 -33.6256 24.9986 66.7025 TIMING: 4435000 CPU: 13325.8, 0.00304907/step Wall: 13325.8, 0.00304907/step, 0.478535 hours remaining, 208.585938 MB of memory in use. ENERGY: 4435000 768.0470 2063.7331 1946.8863 109.6265 -206135.6691 17867.5638 0.0000 0.0000 34336.0402 -149043.7723 299.8652 -183379.8124 -148946.0383 299.1715 71.2580 102.5880 558037.2376 1.1406 1.1371 PRESSURE: 4435200 76.5112 -118.364 93.5528 -118.364 -20.0263 -174.144 93.5525 -174.144 43.3248 GPRESSURE: 4435200 98.2801 -82.657 156.448 -95.54 -16.7275 -208.323 -16.7183 -108.388 93.7397 PRESSAVG: 4435200 -13.4626 -35.4492 -22.4227 -35.449 -15.4823 -17.9021 -22.4227 -17.902 20.2298 GPRESSAVG: 4435200 -12.474 -36.0882 -23.5191 -35.3237 -15.5062 -19.4722 -22.9781 -19.9799 19.6605 TIMING: 4435200 CPU: 13326.4, 0.00303822/step Wall: 13326.4, 0.00303822/step, 0.476662 hours remaining, 208.585938 MB of memory in use. ENERGY: 4435200 744.9413 2072.1926 1958.8807 113.4662 -206063.2661 17999.0925 0.0000 0.0000 34119.5691 -149055.1237 297.9747 -183174.6929 -148957.6900 299.7001 33.2699 58.4308 559799.6277 -2.9050 -2.7732 PRESSURE: 4435400 -76.3994 -199.026 -85.1579 -199.026 -1.39052 91.101 -85.1586 91.1006 -130.027 GPRESSURE: 4435400 -20.3981 -222.058 -156.372 -236.116 21.0985 112.587 -30.3135 57.4413 -114.342 PRESSAVG: 4435400 2.20271 30.8319 -24.4555 30.8318 2.52325 -70.3195 -24.4554 -70.3195 29.4448 GPRESSAVG: 4435400 3.32626 30.2859 -23.8964 31.0239 2.53005 -69.4142 -22.2409 -70.1117 28.5662 TIMING: 4435400 CPU: 13327, 0.00303988/step Wall: 13327, 0.00303988/step, 0.476755 hours remaining, 208.648438 MB of memory in use. ENERGY: 4435400 752.2868 2046.1276 1983.6381 104.6651 -206254.0915 17787.8714 0.0000 0.0000 34331.6107 -149247.8919 299.8265 -183579.5026 -149148.9890 299.4299 -69.2722 -37.8805 558223.1865 11.3903 11.4742 PRESSURE: 4435600 94.3383 84.8166 71.3968 84.8183 98.1564 50.4466 71.3977 50.4469 52.6576 GPRESSURE: 4435600 108.897 119.797 48.6019 52.7404 139.475 61.9651 19.2818 31.3233 98.1078 PRESSAVG: 4435600 22.2808 -35.086 -15.6804 -35.086 26.8811 -25.3435 -15.6804 -25.3433 -26.7095 GPRESSAVG: 4435600 21.8489 -35.6002 -15.5639 -35.691 26.7317 -24.3192 -19.3138 -25.22 -26.3934 TIMING: 4435600 CPU: 13327.7, 0.00303595/step Wall: 13327.7, 0.00303595/step, 0.47597 hours remaining, 208.648438 MB of memory in use. ENERGY: 4435600 758.1322 2074.4374 1933.6697 113.6323 -206347.6050 17936.4110 0.0000 0.0000 34096.0982 -149435.2241 297.7697 -183531.3224 -149340.1487 298.5934 81.7175 115.4932 558109.4026 7.4841 7.3957 PRESSURE: 4435800 -30.292 -222.276 -60.9981 -222.276 7.30011 224.47 -60.9978 224.469 -140.659 GPRESSURE: 4435800 31.7236 -238.115 -49.7832 -214.49 17.7137 196.211 -59.9108 197.968 -113.055 PRESSAVG: 4435800 38.1222 -84.9296 -27.4628 -84.9295 17.5843 -8.18273 -27.4628 -8.1827 -64.0965 GPRESSAVG: 4435800 36.6577 -82.9829 -27.9564 -85.2922 18.0707 -8.33901 -25.2782 -6.27491 -63.1089 TIMING: 4435800 CPU: 13328.3, 0.00303431/step Wall: 13328.3, 0.00303431/step, 0.475544 hours remaining, 208.648438 MB of memory in use. ENERGY: 4435800 736.5446 2102.4081 1939.9611 105.5454 -206403.9643 17803.5637 0.0000 0.0000 34265.2913 -149450.6500 299.2473 -183715.9413 -149357.2664 298.3135 -54.5504 -21.2059 559006.6116 -2.7967 -2.7935 PRESSURE: 4436000 288.36 121.009 -41.6107 121.009 -73.3374 17.2698 -41.6108 17.2704 365.056 GPRESSURE: 4436000 321.906 46.4845 -35.3341 97.7347 -27.4092 -45.8176 -48.4596 -15.1894 385.734 PRESSAVG: 4436000 32.7298 -19.6576 -3.46153 -19.6575 -14.1741 72.0136 -3.46151 72.0136 4.38741 GPRESSAVG: 4436000 33.0488 -21.4498 -5.35113 -18.8328 -15.1733 70.2368 -1.12265 70.6625 4.67234 TIMING: 4436000 CPU: 13328.9, 0.00307118/step Wall: 13328.9, 0.00307118/step, 0.481151 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: 4436000 749.9536 2068.3196 1950.9589 113.3202 -207033.4096 18511.2178 0.0000 0.0000 34226.9210 -149412.7184 298.9122 -183639.6394 -149313.6842 298.5482 193.3594 226.7438 559231.8954 7.6477 7.5159 PRESSURE: 4436200 17.8949 -70.363 -97.2748 -70.3608 309.873 -55.7088 -97.2751 -55.7086 -105.574 GPRESSURE: 4436200 86.3531 -57.2768 -94.0916 -102.258 272.095 -50.4166 -83.4008 -86.3888 -37.7223 PRESSAVG: 4436200 0.687221 7.48548 -17.4473 7.48553 3.91934 -25.9447 -17.4473 -25.9449 35.8888 GPRESSAVG: 4436200 1.86073 6.96335 -15.7058 6.7197 4.04869 -26.1614 -18.0465 -25.0672 34.9299 TIMING: 4436200 CPU: 13329.5, 0.00302969/step Wall: 13329.5, 0.00302969/step, 0.474483 hours remaining, 208.648438 MB of memory in use. ENERGY: 4436200 734.3485 2068.4154 1949.1365 116.8967 -206631.8656 18214.6753 0.0000 0.0000 34092.6818 -149455.7114 297.7399 -183548.3932 -149370.9378 298.3035 74.0645 106.9087 559138.9610 13.4985 13.6131 LDB: ============= START OF LOAD BALANCING ============== 13332.9 LDB: ============== END OF LOAD BALANCING =============== 13332.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13332.9 LDB: ============= START OF LOAD BALANCING ============== 13333.2 LDB: Largest compute 4820 load 0.023098 is 19.6% of average load 0.118088 LDB: Average compute 0.001739 is 1.5% of average load 0.118088 LDB: TIME 13333.2 LOAD: AVG 0.118088 MAX 0.220087 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.289 MB LDB: TIME 13333.2 LOAD: AVG 0.118088 MAX 0.220087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.289 MB LDB: TIME 13333.2 LOAD: AVG 0.118088 MAX 0.220087 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.289 MB LDB: ============== END OF LOAD BALANCING =============== 13333.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13333.2 PRESSURE: 4436400 177.107 34.4607 149.442 34.4608 113.009 -58.3373 149.44 -58.3379 -71.3572 GPRESSURE: 4436400 220.866 -49.5161 180.883 116.429 162.921 -173.973 174.476 14.2028 -74.6907 PRESSAVG: 4436400 32.8082 29.8564 -119.924 29.8563 -4.04472 -13.3989 -119.924 -13.3989 -36.8915 GPRESSAVG: 4436400 33.1018 30.6283 -119.582 28.6741 -3.75822 -11.1386 -121.64 -13.3717 -36.9139 TIMING: 4436400 CPU: 13330.1, 0.00307501/step Wall: 13330.1, 0.00307501/step, 0.48141 hours remaining, 207.847656 MB of memory in use. ENERGY: 4436400 722.5099 2050.1388 1988.0558 115.3422 -206491.9733 18113.4589 0.0000 0.0000 34074.4549 -149428.0127 297.5807 -183502.4677 -149340.2046 299.0628 72.9195 103.0322 557995.0432 -2.7094 -2.5234 PRESSURE: 4436600 -141.714 73.6075 -17.5208 73.6079 216.408 -93.5404 -17.5225 -93.5398 -44.0295 GPRESSURE: 4436600 -128.218 122.931 7.32908 60.3221 220.577 -116.856 -20.0474 -89.9246 34.9358 PRESSAVG: 4436600 13.2668 26.7955 -18.5743 26.7956 -30.9902 -42.002 -18.5742 -42.002 6.81512 GPRESSAVG: 4436600 10.9905 25.6615 -19.584 27.94 -29.8165 -42.2109 -17.3749 -41.53 7.47274 TIMING: 4436600 CPU: 13330.7, 0.00304729/step Wall: 13330.7, 0.00304729/step, 0.476901 hours remaining, 207.917969 MB of memory in use. ENERGY: 4436600 745.4094 2024.3738 1964.0678 116.3893 -205975.5827 17715.0911 0.0000 0.0000 34045.9019 -149364.3493 297.3313 -183410.2511 -149261.4857 298.0236 10.2215 42.4316 557949.0294 -3.6361 -3.7844 PRESSURE: 4436800 -30.9628 40.9603 7.3384 40.9614 -268.054 21.864 7.33882 21.8624 -121.056 GPRESSURE: 4436800 31.2031 122.222 27.9895 -10.8114 -231.667 8.71669 27.5865 23.7619 -111.414 PRESSAVG: 4436800 -43.1571 10.0325 -5.07841 10.0324 -1.79983 -50.3773 -5.07846 -50.3773 21.4677 GPRESSAVG: 4436800 -41.094 10.4606 -5.68375 8.76815 -1.94371 -52.3437 -2.7603 -51.7799 19.6495 TIMING: 4436800 CPU: 13331.3, 0.00305942/step Wall: 13331.3, 0.00305942/step, 0.478629 hours remaining, 207.917969 MB of memory in use. ENERGY: 4436800 769.9502 2035.7107 1959.1379 118.2692 -206289.2276 17746.0939 0.0000 0.0000 34184.4558 -149475.6099 298.5414 -183660.0657 -149379.5716 298.0034 -140.0241 -103.9594 557451.7628 -7.8297 -7.7961 PRESSURE: 4437000 264.844 -14.9599 -191.699 -14.9601 -17.2107 58.8682 -191.697 58.8685 -37.7584 GPRESSURE: 4437000 248.4 79.4888 -103.725 -85.1083 70.9303 0.158206 -270.467 119.097 -13.9438 PRESSAVG: 4437000 -8.17587 8.59177 11.7688 8.59177 4.80917 -21.852 11.7688 -21.8521 28.6543 GPRESSAVG: 4437000 -9.51807 8.66881 13.0567 8.24365 3.65496 -20.5018 8.89313 -23.2095 30.7734 TIMING: 4437000 CPU: 13331.9, 0.00305998/step Wall: 13331.9, 0.00305998/step, 0.478547 hours remaining, 207.917969 MB of memory in use. ENERGY: 4437000 739.7993 2005.9735 1973.5511 116.2434 -206407.8003 17975.5981 0.0000 0.0000 34121.1800 -149475.4550 297.9888 -183596.6349 -149377.4714 298.4846 69.9583 101.7956 556615.3495 8.4292 8.3034 PRESSURE: 4437200 8.30214 -3.57804 -155.827 -3.57863 -85.2484 141.629 -155.826 141.63 130.977 GPRESSURE: 4437200 32.8629 -113.226 -183.21 112.049 -39.971 142.78 -140.681 91.9492 161.759 PRESSAVG: 4437200 -41.7798 -13.2201 -21.1126 -13.22 -13.1721 31.3757 -21.1127 31.3757 7.61566 GPRESSAVG: 4437200 -41.9284 -14.6119 -21.5945 -11.5741 -11.8166 29.5129 -19.6814 32.3527 6.4658 TIMING: 4437200 CPU: 13332.5, 0.00305697/step Wall: 13332.5, 0.00305697/step, 0.477906 hours remaining, 207.917969 MB of memory in use. ENERGY: 4437200 720.9470 2073.6775 1933.1120 122.6358 -206177.0910 17711.2197 0.0000 0.0000 34145.7160 -149469.7831 298.2030 -183615.4990 -149374.5368 298.5374 18.0102 51.5504 556193.8308 -15.7787 -15.7597 PRESSURE: 4437400 -47.4294 76.3302 60.4493 76.3317 -59.0757 -89.3805 60.4485 -89.3822 85.048 GPRESSURE: 4437400 -16.2183 65.6252 31.2618 100.803 -45.8196 -100.836 84.3858 -67.3933 143.324 PRESSAVG: 4437400 39.022 -67.9108 -9.827 -67.9108 -13.6173 -11.3034 -9.82712 -11.3035 -17.402 GPRESSAVG: 4437400 39.1015 -65.4083 -10.7431 -69.3875 -14.5377 -9.84565 -10.3977 -9.02656 -16.8807 TIMING: 4437400 CPU: 13333.2, 0.00308583/step Wall: 13333.2, 0.00308583/step, 0.482247 hours remaining, 207.917969 MB of memory in use. ENERGY: 4437400 736.5396 2124.3503 1950.2687 109.9189 -206260.1929 17788.8858 0.0000 0.0000 34208.7801 -149341.4495 298.7538 -183550.2296 -149245.7576 298.8727 -7.1524 27.0955 557211.2109 2.6676 2.5610 PRESSURE: 4437600 359.966 -1.9703 -95.5488 -1.96926 -28.9398 -129.948 -95.5493 -129.949 380.149 GPRESSURE: 4437600 436.782 11.7817 -98.069 -53.0742 8.54533 -110.313 -73.1431 -126.949 362.434 PRESSAVG: 4437600 13.716 27.3035 -57.6069 27.3035 -69.5195 -24.6665 -57.6069 -24.6666 5.0219 GPRESSAVG: 4437600 12.4295 26.6823 -54.8797 28.0889 -68.4428 -22.7707 -58.1491 -26.5148 4.84738 TIMING: 4437600 CPU: 13333.8, 0.00305758/step Wall: 13333.8, 0.00305758/step, 0.477662 hours remaining, 207.917969 MB of memory in use. ENERGY: 4437600 752.9716 2118.0271 1946.0040 109.1890 -206663.5341 18224.5384 0.0000 0.0000 34275.3284 -149237.4756 299.3350 -183512.8039 -149138.2263 299.5133 237.0583 269.2536 556452.7045 -16.9272 -17.0553 PRESSURE: 4437800 63.8005 79.3401 -101.41 79.3407 63.2245 -104.475 -101.409 -104.474 -21.8698 GPRESSURE: 4437800 131.836 75.6593 -78.0396 99.9523 134.487 -109.759 -59.3199 -84.8505 -61.0764 PRESSAVG: 4437800 45.0305 -46.3884 -39.6484 -46.3883 11.669 1.60546 -39.6484 1.60551 -8.759 GPRESSAVG: 4437800 46.1695 -46.275 -39.4149 -47.6362 10.8923 -0.27972 -40.1288 2.65521 -8.78459 TIMING: 4437800 CPU: 13334.4, 0.00309343/step Wall: 13334.4, 0.00309343/step, 0.48309 hours remaining, 207.917969 MB of memory in use. ENERGY: 4437800 759.0239 2093.7880 1953.8302 109.3718 -206152.7880 17971.4538 0.0000 0.0000 33995.4030 -149269.9173 296.8903 -183265.3203 -149178.6507 299.9199 35.0518 68.4155 558950.9330 15.9801 16.0924 PRESSURE: 4438000 230.506 -23.3643 63.2332 -23.3656 9.73455 -40.2134 63.2336 -40.2135 -4.86284 GPRESSURE: 4438000 236.043 -12.8681 20.2676 64.5488 26.407 -33.4009 14.328 -90.9075 77.9867 PRESSAVG: 4438000 -23.429 17.7568 2.51052 17.7567 75.481 -11.3771 2.51055 -11.377 -69.5523 GPRESSAVG: 4438000 -24.5308 17.9765 2.12477 18.227 75.1767 -11.1776 2.83113 -13.2953 -68.305 TIMING: 4438000 CPU: 13335, 0.00303115/step Wall: 13335, 0.00303115/step, 0.473195 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: 4438000 778.9058 2018.6482 1992.2819 104.2229 -206460.2905 18047.6789 0.0000 0.0000 34153.6222 -149364.9307 298.2721 -183518.5529 -149274.2771 299.3113 78.4592 113.4787 557621.3331 -5.8334 -5.8863 PRESSURE: 4438200 -166.262 210.842 206.408 210.841 4.88242 32.4756 206.408 32.4747 -325.719 GPRESSURE: 4438200 -212.731 258.199 175.602 169.572 16.6852 24.5791 201.443 -52.5074 -191.297 PRESSAVG: 4438200 1.88808 -15.6855 4.93315 -15.6855 -4.42812 -15.8245 4.93311 -15.8245 28.2586 GPRESSAVG: 4438200 1.74798 -15.7906 3.27849 -17.0297 -3.50116 -15.3654 5.60427 -16.4977 27.4266 TIMING: 4438200 CPU: 13335.6, 0.00301972/step Wall: 13335.6, 0.00301972/step, 0.471244 hours remaining, 207.917969 MB of memory in use. ENERGY: 4438200 745.6046 2101.8958 1944.3747 115.6407 -206100.2017 17479.1372 0.0000 0.0000 34284.0031 -149429.5456 299.4107 -183713.5487 -149327.8525 298.3718 -162.3664 -129.1145 556209.3815 8.5728 8.5578 PRESSURE: 4438400 -263.366 22.0796 59.516 22.0801 -336.022 71.4654 59.5157 71.4645 -88.6017 GPRESSURE: 4438400 -192.161 -42.5826 21.1111 -13.4408 -328.637 -56.3377 70.4427 139.838 -69.7547 PRESSAVG: 4438400 1.87221 17.3152 1.86871 17.3152 -16.3087 -40.7517 1.86874 -40.7517 61.9899 GPRESSAVG: 4438400 1.65453 17.3545 2.98123 19.7862 -16.1788 -42.3631 3.0595 -38.5148 62.161 TIMING: 4438400 CPU: 13336.2, 0.00301867/step Wall: 13336.2, 0.00301867/step, 0.470912 hours remaining, 207.917969 MB of memory in use. ENERGY: 4438400 775.3503 2103.7061 1934.2311 117.3167 -206128.0912 17560.5162 0.0000 0.0000 34171.4963 -149465.4744 298.4282 -183636.9707 -149370.2600 298.1340 -229.3301 -196.8509 556883.9957 15.8511 15.8789 PRESSURE: 4438600 -313.351 59.6587 14.3292 59.6597 -347.914 114.852 14.3294 114.854 54.6377 GPRESSURE: 4438600 -275.719 32.262 -67.5274 54.4328 -310.996 221.495 -65.6417 91.2651 78.8187 PRESSAVG: 4438600 50.9333 6.00911 -44.4495 6.0091 -59.5208 -6.23768 -44.4495 -6.23769 -3.7545 GPRESSAVG: 4438600 51.4432 3.58029 -43.8421 5.35411 -59.1774 -3.23123 -45.2952 -6.73893 -4.75239 TIMING: 4438600 CPU: 13336.8, 0.00305074/step Wall: 13336.8, 0.00305074/step, 0.475746 hours remaining, 207.917969 MB of memory in use. ENERGY: 4438600 753.5687 2060.0645 1961.5437 107.1545 -206058.7956 17569.8442 0.0000 0.0000 34256.5656 -149350.0543 299.1711 -183606.6199 -149255.3055 298.6230 -202.2093 -169.2988 557865.3342 -4.1140 -4.1622 PRESSURE: 4438800 188.64 13.0448 16.2339 13.0429 -141.928 70.5455 16.2331 70.5446 156.944 GPRESSURE: 4438800 193.186 34.4385 -109.898 63.2395 -70.1393 20.8153 29.8685 17.3468 167.325 PRESSAVG: 4438800 -20.7728 40.9231 -46.1408 40.923 17.4292 25.6107 -46.1409 25.6108 6.57689 GPRESSAVG: 4438800 -19.5737 40.9395 -46.912 43.2801 15.8883 24.2548 -46.7478 26.1916 7.10314 TIMING: 4438800 CPU: 13337.4, 0.00301829/step Wall: 13337.4, 0.00301829/step, 0.470517 hours remaining, 207.917969 MB of memory in use. ENERGY: 4438800 754.6434 2080.2435 1970.0147 114.1931 -206660.5511 18014.6172 0.0000 0.0000 34296.8519 -149429.9873 299.5229 -183726.8391 -149328.1667 298.2724 67.8854 96.7908 557165.4782 1.0778 1.1392 PRESSURE: 4439000 -52.5033 -61.8903 65.3459 -61.8904 281.853 -11.7747 65.3452 -11.7753 40.1245 GPRESSURE: 4439000 -25.5417 -68.8882 -30.1027 -91.6549 353.248 -19.7934 55.631 39.4398 44.6296 PRESSAVG: 4439000 10.651 -25.5284 -36.5685 -25.5285 -16.1308 -46.5017 -36.5684 -46.5018 16.4413 GPRESSAVG: 4439000 10.5515 -24.899 -37.1256 -28.2415 -15.673 -46.8138 -36.1671 -46.0067 16.2284 TIMING: 4439000 CPU: 13338, 0.00300745/step Wall: 13338, 0.00300745/step, 0.468661 hours remaining, 207.917969 MB of memory in use. ENERGY: 4439000 753.5596 2143.9266 1960.3847 117.2651 -206561.8127 17907.3395 0.0000 0.0000 34238.3179 -149441.0193 299.0117 -183679.3372 -149347.8519 298.8203 89.8246 124.1119 555797.3401 3.6538 3.7023 PRESSURE: 4439200 -247.482 113.374 -44.7686 113.374 256.462 65.1038 -44.7675 65.1052 -194.312 GPRESSURE: 4439200 -168.439 49.6969 -97.2539 103.783 252.131 124.357 33.4675 52.0551 -167.368 PRESSAVG: 4439200 -54.957 17.8604 -22.7807 17.8604 -10.3215 24.9913 -22.7808 24.9912 82.3911 GPRESSAVG: 4439200 -55.6176 17.7906 -22.0422 18.6285 -11.0158 25.4019 -22.1061 24.3819 83.8284 TIMING: 4439200 CPU: 13338.6, 0.00307066/step Wall: 13338.6, 0.00307066/step, 0.478341 hours remaining, 207.917969 MB of memory in use. ENERGY: 4439200 720.5500 2116.2148 1969.3137 116.5704 -206123.3261 17675.5356 0.0000 0.0000 34113.6933 -149411.4483 297.9234 -183525.1416 -149319.4897 298.2395 -61.7774 -27.8921 556930.4413 5.7042 5.7317 PRESSURE: 4439400 -168.482 -37.6663 -5.24237 -37.6665 -360.201 -169.568 -5.24336 -169.567 -433.608 GPRESSURE: 4439400 -152.706 -24.9072 -39.1231 -105.022 -336.463 -185.771 57.4466 -133.4 -369.547 PRESSAVG: 4439400 85.8005 -17.0544 -46.3049 -17.0545 -9.47282 3.23359 -46.3049 3.23354 -56.799 GPRESSAVG: 4439400 85.8559 -16.4049 -45.7953 -18.0246 -9.02854 3.10629 -46.039 4.02219 -57.0157 TIMING: 4439400 CPU: 13339.2, 0.00303724/step Wall: 13339.2, 0.00303724/step, 0.472965 hours remaining, 207.917969 MB of memory in use. ENERGY: 4439400 738.3416 2089.3179 1944.4897 112.5557 -205635.2268 17291.9782 0.0000 0.0000 34320.3812 -149138.1624 299.7284 -183458.5436 -149039.4567 299.3396 -320.7639 -286.2386 558055.4614 6.5096 6.6039 PRESSURE: 4439600 -113.369 -44.0131 29.082 -44.0118 -267.79 37.8766 29.0822 37.8751 -296.735 GPRESSURE: 4439600 -161.52 -28.7422 10.985 -43.3818 -176.715 74.0599 -12.0243 27.3311 -239.816 PRESSAVG: 4439600 80.4019 -4.23528 -23.5383 -4.23533 -24.0072 -20.9722 -23.5383 -20.9723 -82.7524 GPRESSAVG: 4439600 80.8482 -4.43584 -23.3479 -3.04908 -23.556 -21.1938 -25.0458 -21.7337 -83.4952 TIMING: 4439600 CPU: 13339.8, 0.00302554/step Wall: 13339.8, 0.00302554/step, 0.470976 hours remaining, 207.917969 MB of memory in use. ENERGY: 4439600 782.9877 2070.7429 1957.1141 106.1069 -205639.0653 17373.8220 0.0000 0.0000 34179.1135 -149169.1782 298.4947 -183348.2917 -149070.0194 298.8617 -225.9647 -192.6835 557705.3084 -8.7859 -8.7343 PRESSURE: 4439800 60.0518 113.727 -36.6268 113.726 38.234 5.86673 -36.6266 5.86639 -33.7574 GPRESSURE: 4439800 79.7941 141.064 -100.806 26.7685 122.21 -6.1218 -56.5053 76.5941 -35.228 PRESSAVG: 4439800 2.79461 -37.0683 2.54128 -37.0683 45.8197 -1.07115 2.54123 -1.07116 -88.6205 GPRESSAVG: 4439800 1.47401 -36.3007 2.3116 -38.2552 45.9998 1.9771 3.28029 -3.68605 -87.3786 TIMING: 4439800 CPU: 13340.5, 0.00302267/step Wall: 13340.5, 0.00302267/step, 0.470361 hours remaining, 207.917969 MB of memory in use. ENERGY: 4439800 780.2921 2058.9100 1919.8881 105.7895 -206040.9364 17784.3379 0.0000 0.0000 34208.9360 -149182.7829 298.7551 -183391.7189 -149082.2170 298.2617 21.5095 55.5920 558261.0540 -13.3354 -13.3016 PRESSURE: 4440000 -197.469 -123.289 -165.577 -123.29 -24.62 113.775 -165.577 113.775 107.487 GPRESSURE: 4440000 -174.862 -135.22 -101.158 -57.2834 25.3888 43.4904 -221.14 164.817 132.439 PRESSAVG: 4440000 13.1204 8.28386 -29.9791 8.28387 45.8177 6.38625 -29.9791 6.38628 -34.1768 GPRESSAVG: 4440000 13.2985 8.53032 -30.096 8.10863 45.2885 5.24301 -31.5248 9.17783 -34.2147 TIMING: 4440000 CPU: 13341.1, 0.00303868/step Wall: 13341.1, 0.00303868/step, 0.472683 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: 4440000 722.0912 2059.0232 1940.6229 98.9695 -206424.4256 17877.9390 0.0000 0.0000 34533.1349 -149192.6451 301.5865 -183725.7800 -149102.8330 299.3979 -38.2008 -5.6779 558451.6748 8.2538 8.1241 PRESSURE: 4440200 -134.632 94.5631 -136.415 94.5624 -9.7494 87.7508 -136.417 87.7518 -250.974 GPRESSURE: 4440200 -84.1755 87.7729 -84.9279 59.537 46.2302 119.972 -97.6484 98.4683 -254.279 PRESSAVG: 4440200 -44.7958 48.2068 -58.5267 48.2068 31.5752 18.3528 -58.5267 18.3527 -9.23084 GPRESSAVG: 4440200 -43.4564 47.5379 -59.7153 48.1463 30.9532 17.6805 -56.1465 18.0286 -10.4145 TIMING: 4440200 CPU: 13341.7, 0.00307102/step Wall: 13341.7, 0.00307102/step, 0.477544 hours remaining, 207.917969 MB of memory in use. ENERGY: 4440200 744.2272 2115.4207 1951.4774 118.1832 -205526.1776 17353.8526 0.0000 0.0000 34324.3223 -148918.6942 299.7628 -183243.0165 -148822.4485 300.2667 -131.7852 -97.4080 557920.5864 -7.4838 -7.6393 LDB: ============= START OF LOAD BALANCING ============== 13345.1 LDB: ============== END OF LOAD BALANCING =============== 13345.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13345.1 LDB: ============= START OF LOAD BALANCING ============== 13345.4 LDB: Largest compute 4820 load 0.024426 is 20.7% of average load 0.118043 LDB: Average compute 0.001736 is 1.5% of average load 0.118043 LDB: TIME 13345.4 LOAD: AVG 0.118043 MAX 0.22272 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.199 MB LDB: TIME 13345.4 LOAD: AVG 0.118043 MAX 0.22272 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.203 MB LDB: TIME 13345.4 LOAD: AVG 0.118043 MAX 0.22272 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.203 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13345.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13345.4 PRESSURE: 4440400 220.994 173.113 50.4095 173.112 125.698 8.04762 50.4103 8.0464 -277.359 GPRESSURE: 4440400 221.578 167.928 141.691 106.105 146.238 72.0614 -45.273 -89.4386 -197.994 PRESSAVG: 4440400 -0.211019 21.0555 32.2571 21.0554 20.0288 -26.1073 32.257 -26.1074 -42.3236 GPRESSAVG: 4440400 -2.21477 22.3305 32.2939 22.5267 21.4043 -25.9591 32.16 -26.1827 -41.8623 TIMING: 4440400 CPU: 13342.3, 0.00314259/step Wall: 13342.3, 0.00314259/step, 0.488498 hours remaining, 208.156250 MB of memory in use. ENERGY: 4440400 768.0355 2089.2093 1938.5693 120.1551 -206227.8593 17995.5952 0.0000 0.0000 34235.4546 -149080.8403 298.9867 -183316.2949 -148981.1512 300.1705 23.1111 56.6073 556910.5746 -7.5020 -7.5576 PRESSURE: 4440600 -513.558 0.82179 86.5092 0.821716 20.4153 -14.3547 86.5082 -14.3547 -118.464 GPRESSURE: 4440600 -477.086 22.1015 88.9582 -87.1522 40.906 -34.0193 96.6581 -27.5602 -73.9168 PRESSAVG: 4440600 -4.39717 2.33912 17.1926 2.33909 55.8383 4.97926 17.1926 4.97924 -54.3218 GPRESSAVG: 4440600 -3.99619 1.81352 18.7663 0.585169 55.3683 4.36705 15.3646 6.95244 -54.0303 TIMING: 4440600 CPU: 13342.9, 0.00306258/step Wall: 13342.9, 0.00306258/step, 0.475891 hours remaining, 208.226562 MB of memory in use. ENERGY: 4440600 722.4384 2022.2949 1950.1180 127.8241 -205445.6603 17372.1656 0.0000 0.0000 34280.8035 -148970.0158 299.3828 -183250.8193 -148880.1877 299.8343 -203.8687 -170.0322 558390.0893 -0.9602 -0.8860 PRESSURE: 4440800 99.5373 -84.189 -123.319 -84.1891 -152.034 38.2079 -123.319 38.2076 -189.183 GPRESSURE: 4440800 135.122 -123.95 -36.0454 -41.2176 -118.834 70.1844 -163.282 32.5317 -161.925 PRESSAVG: 4440800 115.257 5.36425 35.5268 5.36422 -47.6401 -7.07582 35.5269 -7.07572 -34.2472 GPRESSAVG: 4440800 116.043 4.70504 33.8502 5.85634 -47.4375 -6.68801 36.9486 -8.21505 -35.4042 TIMING: 4440800 CPU: 13343.5, 0.00306375/step Wall: 13343.5, 0.00306375/step, 0.475902 hours remaining, 208.226562 MB of memory in use. ENERGY: 4440800 738.5413 2090.1148 1972.6888 117.8042 -205936.1974 17757.8430 0.0000 0.0000 34172.8021 -149086.4033 298.4396 -183259.2053 -148983.6518 300.2351 -80.5597 -48.5452 558245.7030 11.1231 11.0671 PRESSURE: 4441000 -66.5181 65.1512 -10.3271 65.1519 87.6144 -171.044 -10.3279 -171.043 -33.4653 GPRESSURE: 4441000 -25.2052 58.973 -0.709495 73.1533 85.9594 -122.334 15.7297 -129.289 37.5226 PRESSAVG: 4441000 12.4671 -29.6612 65.2944 -29.6613 -1.8641 -47.5625 65.2944 -47.5625 5.13551 GPRESSAVG: 4441000 11.8355 -28.7932 69.5226 -30.0285 -2.74627 -47.3648 62.2962 -48.0798 6.49483 TIMING: 4441000 CPU: 13344.1, 0.00306218/step Wall: 13344.1, 0.00306218/step, 0.475489 hours remaining, 208.226562 MB of memory in use. ENERGY: 4441000 716.6524 2105.2052 1950.4108 119.5430 -206142.7585 17966.8883 0.0000 0.0000 34158.0389 -149126.0199 298.3106 -183284.0588 -149035.8617 299.8836 -4.1230 32.7589 559448.1036 5.2462 5.1947 PRESSURE: 4441200 -122.008 -1.27218 91.0888 -1.27105 -3.92494 -29.8904 91.0875 -29.8908 14.046 GPRESSURE: 4441200 -143.983 35.0095 172.621 -51.1227 36.6661 -43.4174 42.6212 37.8601 83.7666 PRESSAVG: 4441200 36.8414 -5.32568 22.2429 -5.3256 -35.5057 -56.2937 22.243 -56.2936 50.524 GPRESSAVG: 4441200 37.4838 -6.18797 19.3042 -5.56579 -35.5796 -57.0414 24.9373 -54.0576 49.5786 TIMING: 4441200 CPU: 13344.7, 0.00305038/step Wall: 13344.7, 0.00305038/step, 0.473487 hours remaining, 208.226562 MB of memory in use. ENERGY: 4441200 760.2621 2098.9202 1969.7032 117.9943 -206412.0651 17985.0067 0.0000 0.0000 34418.3775 -149061.8010 300.5843 -183480.1785 -148960.0829 299.6351 -37.2957 -7.8502 558445.6239 17.2866 17.1609 PRESSURE: 4441400 -136.816 -39.9017 -115.467 -39.9011 -110.433 -6.528 -115.467 -6.52848 -308.206 GPRESSURE: 4441400 -87.5066 -64.7453 -83.6983 34.413 -127.483 -65.8556 -78.9867 -1.56335 -256.387 PRESSAVG: 4441400 61.3512 23.2618 -10.8528 23.2618 -56.6711 21.2574 -10.8528 21.2573 -17.0981 GPRESSAVG: 4441400 61.6058 21.785 -10.0499 25.3956 -56.6221 22.0952 -11.6547 18.9934 -17.5105 TIMING: 4441400 CPU: 13345.4, 0.00305698/step Wall: 13345.4, 0.00305698/step, 0.474341 hours remaining, 208.226562 MB of memory in use. ENERGY: 4441400 751.0591 2119.3142 1934.9332 123.0873 -205943.7609 17560.0845 0.0000 0.0000 34325.0242 -149130.2584 299.7690 -183455.2826 -149024.2374 299.8579 -185.1516 -157.1254 558476.5004 -4.1393 -4.1756 PRESSURE: 4441600 -170.204 160.349 80.7347 160.348 291.062 -106.852 80.7341 -106.853 39.9804 GPRESSURE: 4441600 -79.7568 223.583 103.206 100.758 283.13 -42.9077 165.446 -69.5592 56.767 PRESSAVG: 4441600 69.9988 5.62034 -54.7138 5.62049 -65.4402 -58.9502 -54.7137 -58.9501 29.4881 GPRESSAVG: 4441600 69.6966 7.43447 -55.7827 3.36169 -65.386 -58.1218 -52.3108 -58.516 29.1223 TIMING: 4441600 CPU: 13346, 0.00304661/step Wall: 13346, 0.00304661/step, 0.472563 hours remaining, 208.226562 MB of memory in use. ENERGY: 4441600 750.9834 2096.7154 1931.7222 128.5305 -206189.9782 17960.2810 0.0000 0.0000 34159.4577 -149162.2880 298.3230 -183321.7457 -149068.3204 299.5431 53.6127 86.7134 557479.1445 11.3489 11.1443 PRESSURE: 4441800 240.505 145.105 85.4808 145.106 -3.56258 -171.873 85.4807 -171.871 22.7721 GPRESSURE: 4441800 207.934 258.156 25.309 92.0636 79.339 -219.495 70.0574 -98.3315 76.9306 PRESSAVG: 4441800 39.8759 48.8841 -16.1915 48.8841 -56.1922 -55.0566 -16.1914 -55.0567 2.90102 GPRESSAVG: 4441800 38.5957 50.238 -17.6477 48.4616 -55.8497 -54.3959 -15.0555 -55.0557 3.46796 TIMING: 4441800 CPU: 13346.6, 0.00305372/step Wall: 13346.6, 0.00305372/step, 0.473497 hours remaining, 208.226562 MB of memory in use. ENERGY: 4441800 747.5534 2107.7202 1946.7259 110.5485 -206351.9954 18009.6850 0.0000 0.0000 34183.9133 -149245.8491 298.5366 -183429.7624 -149148.1474 299.4910 86.5714 121.4013 557010.7076 -4.4718 -4.5954 PRESSURE: 4442000 99.0141 -17.1018 -13.0923 -17.1015 -42.1823 -18.4987 -13.0923 -18.4982 121.152 GPRESSURE: 4442000 94.7555 -26.6796 -124.994 -0.575879 17.1705 64.3617 57.9076 -81.6925 180.734 PRESSAVG: 4442000 -16.8995 80.3532 -17.0398 80.3532 -13.1101 -70.7951 -17.0399 -70.7952 17.4949 GPRESSAVG: 4442000 -15.9823 77.7123 -13.3869 80.9228 -12.319 -73.3588 -19.3157 -70.7417 16.3234 TIMING: 4442000 CPU: 13347.2, 0.00307825/step Wall: 13347.2, 0.00307825/step, 0.477129 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: 4442000 722.0105 2116.9147 1943.9916 107.3129 -206326.2153 17926.2893 0.0000 0.0000 33982.8345 -149526.8619 296.7805 -183509.6964 -149430.8280 298.8010 59.3280 97.5534 556675.0199 -4.1716 -3.9927 PRESSURE: 4442200 -86.5248 158.001 -8.90954 158.001 -30.536 -96.9023 -8.91037 -96.9023 -151.041 GPRESSURE: 4442200 -7.49632 160.383 15.5476 152.154 -35.7662 -61.137 -37.1568 -159.508 -128.739 PRESSAVG: 4442200 -8.44257 47.7974 -49.9459 47.7974 -39.6669 -36.409 -49.946 -36.4091 81.9371 GPRESSAVG: 4442200 -10.0762 49.1157 -50.7326 45.8432 -40.1512 -32.8665 -50.1887 -37.599 83.4049 TIMING: 4442200 CPU: 13347.8, 0.00306074/step Wall: 13347.8, 0.00306074/step, 0.474244 hours remaining, 208.226562 MB of memory in use. ENERGY: 4442200 766.6351 2087.2592 1928.3462 113.7999 -206172.8280 17535.4365 0.0000 0.0000 34025.3208 -149716.0302 297.1516 -183741.3510 -149620.8578 297.6910 -89.3672 -57.3338 556062.1639 11.2759 11.0592 PRESSURE: 4442400 -208.607 85.1649 75.7099 85.1648 78.7537 -33.0023 75.7107 -33.0021 33.8591 GPRESSURE: 4442400 -198.054 90.0541 14.19 19.7768 87.3195 -155.789 87.5405 36.4423 105.357 PRESSAVG: 4442400 -58.3951 14.9818 -8.9893 14.9817 69.8809 -14.7484 -8.98929 -14.7484 19.4531 GPRESSAVG: 4442400 -56.5576 14.4412 -11.5398 16.376 69.1579 -17.6804 -8.83266 -12.4517 18.7298 TIMING: 4442400 CPU: 13348.4, 0.00307173/step Wall: 13348.4, 0.00307173/step, 0.475777 hours remaining, 208.226562 MB of memory in use. ENERGY: 4442400 749.0205 2097.8799 1940.6188 105.0371 -206170.8906 17698.5717 0.0000 0.0000 33918.8743 -149660.8884 296.2220 -183579.7627 -149561.2678 297.7157 -31.9982 -1.7927 556057.6514 10.3130 10.4434 PRESSURE: 4442600 -136.471 55.0417 -55.2834 55.0414 -131.982 -176.128 -55.2847 -176.127 -46.3903 GPRESSURE: 4442600 -68.3091 -30.8389 -131.723 -13.0472 -130.767 -213.458 -2.81621 -188.703 -14.009 PRESSAVG: 4442600 -67.7865 6.94125 -25.3802 6.94125 10.37 -62.2019 -25.3801 -62.2019 65.9307 GPRESSAVG: 4442600 -67.5894 6.45336 -22.8552 7.05784 10.4389 -61.3935 -26.1221 -62.5326 65.9397 TIMING: 4442600 CPU: 13349, 0.00306404/step Wall: 13349, 0.00306404/step, 0.474415 hours remaining, 208.226562 MB of memory in use. ENERGY: 4442600 744.7782 2144.3027 1929.3616 120.8183 -206194.6514 17579.6190 0.0000 0.0000 34004.2811 -149671.4904 296.9678 -183675.7715 -149567.7949 297.3565 -104.9477 -71.0284 556211.9610 2.8381 2.9297 PRESSURE: 4442800 -48.7429 96.8366 -171.197 96.837 87.0544 30.1129 -171.197 30.1143 -45.9999 GPRESSURE: 4442800 5.26851 252.702 -59.8392 51.4505 110.346 27.9547 -149.643 -9.67968 -19.1091 PRESSAVG: 4442800 -15.7263 16.2257 28.3816 16.2257 -16.606 -10.1985 28.3816 -10.1986 35.3857 GPRESSAVG: 4442800 -15.9721 16.7542 28.6006 15.6344 -16.3034 -9.41201 27.3121 -11.0294 35.5007 TIMING: 4442800 CPU: 13349.6, 0.00304689/step Wall: 13349.6, 0.00304689/step, 0.471592 hours remaining, 208.226562 MB of memory in use. ENERGY: 4442800 763.2085 2122.5009 1950.4462 115.6699 -206411.7480 17749.6416 0.0000 0.0000 34004.5782 -149705.7027 296.9704 -183710.2809 -149604.3766 297.7802 -2.5628 32.1683 556369.7478 1.0178 1.0750 PRESSURE: 4443000 242.066 -54.608 -181.014 -54.6081 53.4827 214.501 -181.014 214.501 -96.6017 GPRESSURE: 4443000 278.809 -26.4737 -123.13 -99.339 74.9892 166.318 -229.095 300.836 -69.8321 PRESSAVG: 4443000 23.7051 -39.4164 -10.4043 -39.4164 24.3374 -5.86874 -10.4043 -5.86864 -53.1167 GPRESSAVG: 4443000 23.2328 -38.9975 -10.6003 -40.1487 24.5335 -8.15605 -9.43079 -3.02284 -52.8334 TIMING: 4443000 CPU: 13350.3, 0.00309843/step Wall: 13350.3, 0.00309843/step, 0.479396 hours remaining, 208.226562 MB of memory in use. ENERGY: 4443000 728.1930 2086.1414 1944.5674 112.3149 -206668.0830 17870.5329 0.0000 0.0000 34107.7569 -149818.5764 297.8715 -183926.3333 -149718.2776 297.3537 66.3156 94.6553 557523.2552 -1.6914 -1.6890 PRESSURE: 4443200 -103.089 127.576 19.6298 127.576 -90.9903 47.6912 19.6299 47.6911 -178.721 GPRESSURE: 4443200 -46.742 124.192 -38.5889 66.0845 -40.4142 92.3966 94.0041 46.7513 -167.497 PRESSAVG: 4443200 20.6498 18.7098 44.3321 18.7098 -4.30723 42.8569 44.332 42.8569 -1.46881 GPRESSAVG: 4443200 21.1006 18.0906 43.4948 19.2769 -4.16386 43.734 46.3592 42.4037 -1.72706 TIMING: 4443200 CPU: 13350.9, 0.00307928/step Wall: 13350.9, 0.00307928/step, 0.476263 hours remaining, 208.226562 MB of memory in use. ENERGY: 4443200 721.8317 2095.4565 1960.8156 113.4776 -206537.0257 17761.8080 0.0000 0.0000 34165.3984 -149718.2379 298.3749 -183883.6364 -149620.2701 297.6076 -124.2666 -84.8843 557214.5106 4.9579 5.0699 PRESSURE: 4443400 14.0017 -26.5311 -76.2273 -26.531 46.7597 39.3367 -76.2273 39.3364 -229.259 GPRESSURE: 4443400 18.3193 -65.5836 -124.348 10.5562 121.733 91.5558 -58.4295 -53.7249 -195.261 PRESSAVG: 4443400 29.8179 -8.90955 6.77993 -8.90952 -21.5232 40.2219 6.7799 40.222 -44.3414 GPRESSAVG: 4443400 29.6585 -9.37479 4.32153 -8.60042 -22.9074 41.2787 7.70203 38.6211 -43.8358 TIMING: 4443400 CPU: 13351.5, 0.00306571/step Wall: 13351.5, 0.00306571/step, 0.473993 hours remaining, 208.226562 MB of memory in use. ENERGY: 4443400 733.5380 2067.6664 1953.9917 115.5525 -206744.2288 17918.6841 0.0000 0.0000 34300.1422 -149654.6539 299.5517 -183954.7961 -149559.0581 298.6244 -56.1660 -18.4031 555750.8520 -12.0156 -12.3615 PRESSURE: 4443600 156.739 -35.4047 -132.235 -35.4043 -3.31034 16.2086 -132.236 16.2092 -188.955 GPRESSURE: 4443600 169.434 -17.6164 -122.97 -77.0361 9.99108 -3.62909 -180.329 -1.62323 -112.619 PRESSAVG: 4443600 22.4931 -3.84773 15.3267 -3.84776 49.3215 -16.1198 15.3268 -16.1199 -43.6042 GPRESSAVG: 4443600 21.3336 -2.0009 16.782 -5.64711 49.8039 -18.1298 13.8905 -14.8764 -42.5723 TIMING: 4443600 CPU: 13352.1, 0.00307381/step Wall: 13352.1, 0.00307381/step, 0.475075 hours remaining, 208.226562 MB of memory in use. ENERGY: 4443600 742.5668 2128.6575 1938.4847 117.6782 -206391.9534 17628.3555 0.0000 0.0000 34397.9636 -149438.2471 300.4060 -183836.2108 -149335.6252 298.4552 -11.8420 22.2686 555795.9521 9.4035 9.5217 PRESSURE: 4443800 -518.71 134.368 -5.84678 134.368 3.27641 -44.703 -5.84891 -44.7047 -130.638 GPRESSURE: 4443800 -437.903 197.842 -43.9514 51.3532 12.0491 -37.0354 40.3079 -102.331 -118.369 PRESSAVG: 4443800 -79.0936 -32.7378 46.5054 -32.7379 38.5114 -66.2942 46.5053 -66.2942 17.0236 GPRESSAVG: 4443800 -78.7338 -34.0362 49.6485 -31.1942 39.2474 -64.335 44.5755 -67.1478 16.4501 TIMING: 4443800 CPU: 13352.7, 0.00306117/step Wall: 13352.7, 0.00306117/step, 0.472951 hours remaining, 208.226562 MB of memory in use. ENERGY: 4443800 797.1076 2110.8250 1983.4685 109.4763 -205903.8333 17473.4892 0.0000 0.0000 34072.1126 -149357.3542 297.5602 -183429.4668 -149258.9608 299.3739 -215.3571 -181.4074 557270.8032 -7.8529 -7.6788 PRESSURE: 4444000 3.48085 -87.098 88.6118 -87.0989 -54.273 11.1921 88.6107 11.1939 123.196 GPRESSURE: 4444000 66.7319 -43.5533 108.354 -38.3273 -32.0637 -26.9985 49.0194 -3.21309 140.402 PRESSAVG: 4444000 -79.2711 31.3091 0.527142 31.3091 38.2148 -16.3813 0.527118 -16.3813 66.3936 GPRESSAVG: 4444000 -78.4983 30.3006 0.0684078 31.7117 37.2552 -18.0019 1.74896 -14.5917 66.3271 TIMING: 4444000 CPU: 13353.3, 0.00307208/step Wall: 13353.3, 0.00307208/step, 0.474465 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: 4444000 737.5336 2124.3203 1928.7980 104.3829 -206645.7620 17936.9930 0.0000 0.0000 34385.4797 -149428.2546 300.2969 -183813.7343 -149332.3570 298.9561 24.1347 58.3567 556095.7587 8.4458 8.3613 PRESSURE: 4444200 138.637 114.075 -79.6074 114.075 177.562 -63.1866 -79.6079 -63.1873 -175.097 GPRESSURE: 4444200 137.286 76.2088 -56.7983 146.874 238.543 -96.7652 -26.7798 -23.128 -138.156 PRESSAVG: 4444200 -64.9373 24.6056 -41.9458 24.6055 58.6091 -41.9028 -41.9458 -41.9027 -1.24119 GPRESSAVG: 4444200 -65.3836 24.8944 -42.2058 25.2528 58.9069 -40.3814 -43.5969 -44.0351 -1.66529 TIMING: 4444200 CPU: 13353.9, 0.00307428/step Wall: 13353.9, 0.00307428/step, 0.474634 hours remaining, 208.226562 MB of memory in use. ENERGY: 4444200 762.7083 2046.2289 1937.9131 120.2364 -206342.7300 17810.4542 0.0000 0.0000 34423.4046 -149241.7845 300.6282 -183665.1892 -149150.6284 298.8526 47.0340 79.2243 555916.5010 -2.5231 -2.7140 LDB: ============= START OF LOAD BALANCING ============== 13357.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13357.4 LDB: =============== DONE WITH MIGRATION ================ 13357.4 LDB: ============= START OF LOAD BALANCING ============== 13357.7 LDB: Largest compute 4820 load 0.024204 is 20.5% of average load 0.118143 LDB: Average compute 0.001737 is 1.5% of average load 0.118143 LDB: TIME 13357.7 LOAD: AVG 0.118143 MAX 0.222012 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.445 MB LDB: TIME 13357.7 LOAD: AVG 0.118143 MAX 0.222012 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.648 MB LDB: TIME 13357.7 LOAD: AVG 0.118143 MAX 0.222012 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.648 MB LDB: ============== END OF LOAD BALANCING =============== 13357.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13357.7 PRESSURE: 4444400 61.2359 -69.6316 1.55439 -69.6306 25.3837 122.724 1.55446 122.724 -51.3988 GPRESSURE: 4444400 98.6306 -117.502 -26.8589 -65.4469 33.3331 97.6744 -29.4792 133.539 -9.68622 PRESSAVG: 4444400 -56.6617 39.5777 -12.9684 39.5777 91.871 -9.1507 -12.9684 -9.15067 -21.324 GPRESSAVG: 4444400 -56.4586 39.6144 -12.658 39.2478 91.7339 -9.99452 -11.4861 -7.48669 -21.0128 TIMING: 4444400 CPU: 13354.6, 0.00312441/step Wall: 13354.6, 0.00312441/step, 0.482201 hours remaining, 208.156250 MB of memory in use. ENERGY: 4444400 750.3708 2116.6949 1940.7591 109.6986 -206269.6070 17815.4121 0.0000 0.0000 34137.9532 -149398.7184 298.1352 -183536.6716 -149307.7255 298.5109 11.7402 40.7591 556348.3058 4.6284 4.7542 PRESSURE: 4444600 -101.437 -34.6909 -297.592 -34.6895 -154.835 -32.8807 -297.593 -32.881 -22.1136 GPRESSURE: 4444600 -55.0937 -33.2584 -290.96 -14.2971 -161.085 50.9547 -304.34 -95.7723 29.2783 PRESSAVG: 4444600 -10.4013 38.0617 -43.3 38.0617 -15.6269 6.40265 -43.2999 6.40263 18.7378 GPRESSAVG: 4444600 -9.96481 38.1191 -41.0469 38.3056 -16.2373 8.07951 -43.8661 5.24094 18.5927 TIMING: 4444600 CPU: 13355.2, 0.00304552/step Wall: 13355.2, 0.00304552/step, 0.469856 hours remaining, 208.156250 MB of memory in use. ENERGY: 4444600 754.1587 2085.7846 1931.9575 125.6790 -206253.2302 17652.2118 0.0000 0.0000 34292.9847 -149410.4538 299.4892 -183703.4385 -149312.3671 299.0027 -92.7952 -62.3002 556685.2093 -2.4301 -2.5365 PRESSURE: 4444800 137.705 98.8024 52.3439 98.8018 -90.7208 181.037 52.3439 181.036 117.747 GPRESSURE: 4444800 149.13 61.6936 114.799 132.442 -86.9627 257.551 83.7702 135.811 201.205 PRESSAVG: 4444800 -40.6596 -4.47843 36.5704 -4.47847 32.6594 32.9574 36.5704 32.9573 -4.14754 GPRESSAVG: 4444800 -40.7875 -6.58571 33.8202 -4.39408 34.1672 31.0569 38.7135 33.6878 -4.95578 TIMING: 4444800 CPU: 13355.8, 0.00302438/step Wall: 13355.8, 0.00302438/step, 0.466427 hours remaining, 208.156250 MB of memory in use. ENERGY: 4444800 750.8758 2079.2986 1919.1268 105.1247 -206376.2401 18056.5211 0.0000 0.0000 34199.3733 -149265.9197 298.6716 -183465.2930 -149177.7509 298.9607 54.9103 87.7908 558732.4281 -4.0493 -3.8587 PRESSURE: 4445000 -162.691 -17.9329 -81.8039 -17.9343 -2.79604 24.4707 -81.8034 24.472 163.699 GPRESSURE: 4445000 -103.777 65.3072 -100.823 -33.9868 -1.26085 150.118 -43.7573 -15.7861 198.253 PRESSAVG: 4445000 38.6448 5.44447 19.732 5.44454 11.842 17.4787 19.732 17.4788 -18.5964 GPRESSAVG: 4445000 39.0872 7.41985 18.0814 4.53491 10.9198 21.9422 18.9689 15.567 -17.7148 TIMING: 4445000 CPU: 13356.4, 0.0030224/step Wall: 13356.4, 0.0030224/step, 0.465953 hours remaining, 208.156250 MB of memory in use. ENERGY: 4445000 778.1890 2062.5427 1916.2666 107.4971 -206488.0790 17918.5232 0.0000 0.0000 34325.2310 -149379.8294 299.7708 -183705.0604 -149284.9946 299.7142 -0.5960 31.0716 558245.8793 10.6301 10.7641 PRESSURE: 4445200 -74.0912 -76.8125 -56.8388 -76.8126 -63.9666 177.581 -56.8376 177.583 214.319 GPRESSURE: 4445200 16.4715 -130.138 -86.535 -160.079 -70.7321 167.07 -52.3567 192.752 229.369 PRESSAVG: 4445200 -47.9618 -98.025 11.2159 -98.0249 -45.5134 -18.5736 11.2159 -18.5736 88.2245 GPRESSAVG: 4445200 -47.4656 -97.5051 13.1586 -99.8738 -44.8547 -21.7125 12.0675 -17.2374 86.9279 TIMING: 4445200 CPU: 13357, 0.00300421/step Wall: 13357, 0.00300421/step, 0.462982 hours remaining, 208.156250 MB of memory in use. ENERGY: 4445200 742.4070 2064.1837 1914.3997 106.8425 -206594.0321 17968.0565 0.0000 0.0000 34334.1637 -149463.9790 299.8488 -183798.1427 -149366.2001 298.4796 25.4204 58.3694 556498.8854 -1.7502 -1.7975 PRESSURE: 4445400 -94.9119 142.068 -72.3023 142.068 -218.112 -178.878 -72.3038 -178.878 -39.655 GPRESSURE: 4445400 -55.4151 144.54 -141.098 115.608 -167.119 -226.719 -40.9591 -152.264 -20.7336 PRESSAVG: 4445400 -19.4622 -22.4406 -12.975 -22.4407 -67.2268 1.62757 -12.9751 1.62738 64.2179 GPRESSAVG: 4445400 -20.8026 -23.064 -14.5474 -20.0317 -65.9503 0.812721 -14.2371 2.71319 63.507 TIMING: 4445400 CPU: 13357.6, 0.00303937/step Wall: 13357.6, 0.00303937/step, 0.468231 hours remaining, 208.156250 MB of memory in use. ENERGY: 4445400 739.2485 2063.5014 1966.9881 106.1127 -206057.1354 17654.6978 0.0000 0.0000 34423.5023 -149103.0846 300.6290 -183526.5869 -149005.9300 298.6535 -117.5596 -81.0891 556116.4064 -7.4904 -7.7486 PRESSURE: 4445600 -158.369 75.8592 58.2536 75.8594 -55.3572 -265.438 58.2532 -265.439 88.3578 GPRESSURE: 4445600 -158.878 43.8532 82.4577 87.681 -42.5108 -253.744 -20.574 -253.431 169.759 PRESSAVG: 4445600 -48.2037 6.90768 -20.8065 6.90767 16.1929 -27.5893 -20.8064 -27.5892 35.0717 GPRESSAVG: 4445600 -47.7269 7.17253 -20.4664 5.05897 15.9819 -27.1114 -20.8502 -28.2461 35.1877 TIMING: 4445600 CPU: 13358.2, 0.00303706/step Wall: 13358.2, 0.00303706/step, 0.467707 hours remaining, 208.156250 MB of memory in use. ENERGY: 4445600 714.5124 2066.0369 1932.7522 112.6910 -205589.5744 17532.2593 0.0000 0.0000 34224.4448 -149006.8776 298.8906 -183231.3225 -148920.7673 299.6211 -41.7894 -10.5432 558579.0496 1.0203 1.1476 PRESSURE: 4445800 -25.0529 5.21954 -89.3512 5.22059 -34.6161 -41.0409 -89.3522 -41.0413 -66.6285 GPRESSURE: 4445800 53.9454 -14.3356 -91.0975 112.508 14.544 -8.0152 -51.1896 0.0737555 -97.3183 PRESSAVG: 4445800 -14.5759 58.733 20.2732 58.733 13.0106 -29.1947 20.2732 -29.1947 -6.83277 GPRESSAVG: 4445800 -14.8527 58.4031 19.4034 59.4665 13.0224 -28.4796 22.3922 -30.1089 -6.64644 TIMING: 4445800 CPU: 13358.8, 0.00305786/step Wall: 13358.8, 0.00305786/step, 0.47074 hours remaining, 208.156250 MB of memory in use. ENERGY: 4445800 738.6485 2097.6340 1949.7218 123.3306 -205989.9618 17678.3868 0.0000 0.0000 34439.8861 -148962.3540 300.7721 -183402.2401 -148869.1752 299.7917 -42.0992 -9.6096 556544.1644 -2.7994 -2.8256 PRESSURE: 4446000 121.516 24.3216 7.1117 24.3218 -40.6618 40.534 7.11209 40.5339 -200.479 GPRESSURE: 4446000 150.143 -63.1773 80.0682 38.4174 9.0944 64.8017 -69.0906 104.667 -173.464 PRESSAVG: 4446000 82.8037 26.6899 24.027 26.6899 49.6736 -45.063 24.0271 -45.0631 -95.6402 GPRESSAVG: 4446000 82.7798 25.1049 25.8877 27.4544 50.1546 -47.2272 22.6834 -43.1084 -95.6579 TIMING: 4446000 CPU: 13359.4, 0.00306384/step Wall: 13359.4, 0.00306384/step, 0.47149 hours remaining, 208.156250 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: 4446000 756.8950 2039.2659 1964.9702 112.5236 -206162.1262 17950.2766 0.0000 0.0000 34188.1765 -149150.0184 298.5738 -183338.1949 -149064.3311 299.7016 -39.8751 -4.7424 558141.9743 12.2790 12.4255 PRESSURE: 4446200 0.857718 82.3113 147.862 82.3116 94.2662 76.6273 147.863 76.6285 -52.3486 GPRESSURE: 4446200 29.9777 75.3221 135.748 111.808 142.702 105.972 125.873 102.209 -39.4845 PRESSAVG: 4446200 57.6822 -7.9352 -4.19897 -7.93527 8.5075 65.5201 -4.19902 65.5202 -29.2072 GPRESSAVG: 4446200 58.8772 -8.5465 -6.29389 -5.06899 8.10945 67.0162 -2.90814 64.7955 -29.3567 TIMING: 4446200 CPU: 13360, 0.003027/step Wall: 13360, 0.003027/step, 0.465654 hours remaining, 208.156250 MB of memory in use. ENERGY: 4446200 716.9375 2077.0494 1961.1530 103.1215 -206284.5617 17827.9587 0.0000 0.0000 34387.5504 -149210.7911 300.3150 -183598.3415 -149121.1506 299.2617 14.2584 44.3983 557525.3370 12.3275 12.5433 PRESSURE: 4446400 287.315 -78.021 14.7 -78.0203 -137.56 273.855 14.6998 273.856 32.0685 GPRESSURE: 4446400 345 3.46303 101.882 -133.658 -132.155 207.525 25.9035 263.617 52.8959 PRESSAVG: 4446400 -4.70178 -17.8357 62.1847 -17.8357 -44.4253 76.8883 62.1847 76.8884 54.3175 GPRESSAVG: 4446400 -5.56994 -17.6849 64.264 -19.8595 -45.1262 77.5025 61.445 76.1385 55.2404 TIMING: 4446400 CPU: 13360.6, 0.00301202/step Wall: 13360.6, 0.00301202/step, 0.463182 hours remaining, 208.156250 MB of memory in use. ENERGY: 4446400 712.3292 2063.5363 1925.6832 109.2311 -206192.5845 17774.4043 0.0000 0.0000 34406.8118 -149200.5885 300.4832 -183607.4003 -149097.1443 299.3208 60.6079 88.5803 555690.5704 1.7301 1.5147 PRESSURE: 4446600 -162.562 127.845 -122.747 127.845 84.5135 172.827 -122.746 172.826 -61.7868 GPRESSURE: 4446600 -126.378 98.3646 -209.245 114.442 131.934 319.108 -139.613 107.087 -49.7663 PRESSAVG: 4446600 30.8242 7.92369 14.4191 7.92369 17.9287 9.4365 14.419 9.43647 -19.47 GPRESSAVG: 4446600 29.9914 10.6841 13.3058 6.41039 19.0892 10.3666 13.8408 10.0171 -20.1341 TIMING: 4446600 CPU: 13361.2, 0.00302441/step Wall: 13361.2, 0.00302441/step, 0.464918 hours remaining, 208.156250 MB of memory in use. ENERGY: 4446600 743.4723 2056.1060 1922.0837 101.7359 -205881.5860 17723.2949 0.0000 0.0000 34218.2095 -149116.6836 298.8361 -183334.8931 -149020.6023 299.7102 -46.6119 -14.7367 557118.3058 9.7609 9.6489 PRESSURE: 4446800 -120.649 35.7131 53.9075 35.7124 78.4866 -88.828 53.9053 -88.8276 -60.9874 GPRESSURE: 4446800 -118.163 -20.6664 47.9067 130.973 68.792 -77.8319 72.3369 -91.3167 48.692 PRESSAVG: 4446800 -22.7015 -61.3775 36.8526 -61.3776 4.45698 25.0616 36.8527 25.0616 -4.64626 GPRESSAVG: 4446800 -21.5204 -62.7614 38.2403 -59.6524 3.24852 23.485 34.2163 25.7104 -3.77478 TIMING: 4446800 CPU: 13361.9, 0.00303443/step Wall: 13361.9, 0.00303443/step, 0.46629 hours remaining, 208.156250 MB of memory in use. ENERGY: 4446800 723.2903 2090.2391 1953.8004 111.5834 -205790.9662 17636.8220 0.0000 0.0000 34148.0258 -149127.2053 298.2232 -183275.2311 -149031.2993 299.7177 -34.3833 -0.2264 556120.9504 -7.6303 -7.3489 PRESSURE: 4447000 -158.009 -12.0522 57.7547 -12.0515 176.421 39.2813 57.7545 39.2808 -50.7705 GPRESSURE: 4447000 -107.93 50.7216 103.729 -97.4459 246.341 65.3574 29.9836 46.208 -69.4277 PRESSAVG: 4447000 -14.6084 -8.88372 -13.2423 -8.88379 37.0724 -16.8522 -13.2422 -16.8523 -73.3013 GPRESSAVG: 4447000 -14.1513 -7.92765 -15.1156 -7.25194 37.5665 -16.2519 -10.8919 -17.3814 -75.1915 TIMING: 4447000 CPU: 13362.5, 0.00304733/step Wall: 13362.5, 0.00304733/step, 0.468103 hours remaining, 208.156250 MB of memory in use. ENERGY: 4447000 764.4832 2068.1642 1958.0313 112.7453 -205996.2465 17748.8049 0.0000 0.0000 34162.1313 -149181.8862 298.3464 -183344.0175 -149092.1917 299.4642 -10.7864 22.9945 557069.3142 -16.9458 -17.2587 PRESSURE: 4447200 -340.461 -195.393 116.361 -195.392 -186.555 -189.485 116.361 -189.486 46.2241 GPRESSURE: 4447200 -329.867 -190.778 122.996 -134.636 -110.24 -224.928 147.03 -65.1818 40.4206 PRESSAVG: 4447200 -91.0161 -40.0332 -3.72991 -40.033 112.731 8.84041 -3.72993 8.84031 -20.5086 GPRESSAVG: 4447200 -91.1675 -40.7518 -5.68794 -40.8673 113.079 9.74991 -2.71138 8.24703 -20.9919 TIMING: 4447200 CPU: 13363.1, 0.00304442/step Wall: 13363.1, 0.00304442/step, 0.467488 hours remaining, 208.156250 MB of memory in use. ENERGY: 4447200 777.6784 2162.7759 1918.1538 103.5508 -206208.5313 17525.4909 0.0000 0.0000 34290.7160 -149430.1655 299.4694 -183720.8815 -149333.0368 298.8257 -160.2642 -133.2287 556658.3085 0.4019 0.3067 PRESSURE: 4447400 -76.261 -161.254 117.531 -161.254 66.1307 -179.887 117.532 -179.887 140.583 GPRESSURE: 4447400 -16.1427 -217.475 32.8856 -245.252 67.5509 -174.988 197.911 -166.359 178.574 PRESSAVG: 4447400 -2.92509 -64.4057 43.3162 -64.4057 -5.84484 -60.5524 43.3162 -60.5524 15.7459 GPRESSAVG: 4447400 -3.01642 -65.2917 45.3462 -65.1881 -6.58381 -59.4632 40.3658 -60.6881 16.9417 TIMING: 4447400 CPU: 13363.7, 0.00304863/step Wall: 13363.7, 0.00304863/step, 0.467964 hours remaining, 208.156250 MB of memory in use. ENERGY: 4447400 711.3717 2075.3236 1973.6797 105.8340 -206158.1284 17748.5353 0.0000 0.0000 34076.1698 -149467.2143 297.5957 -183543.3842 -149371.0584 298.7219 43.4842 76.6608 556751.7469 2.3253 2.4471 PRESSURE: 4447600 181.072 -54.0909 -17.9059 -54.0898 -49.9854 91.4677 -17.9062 91.4679 60.1025 GPRESSURE: 4447600 222.136 -69.1493 17.8249 -59.5208 36.4726 80.9474 -24.0327 126.196 30.4943 PRESSAVG: 4447600 -16.5869 -46.7062 -11.8233 -46.7063 -0.0713012 -6.99892 -11.8234 -6.99904 -5.75894 GPRESSAVG: 4447600 -16.1675 -46.8547 -9.59363 -45.0407 -0.681408 -8.35407 -11.046 -3.9101 -5.76398 TIMING: 4447600 CPU: 13364.3, 0.00301669/step Wall: 13364.3, 0.00301669/step, 0.462895 hours remaining, 208.156250 MB of memory in use. ENERGY: 4447600 722.4007 2095.5995 1963.2807 106.1415 -206519.5508 17894.6935 0.0000 0.0000 34007.9509 -149729.4840 296.9999 -183737.4349 -149631.2845 298.3737 63.7296 96.3676 556554.0042 -7.4724 -7.5376 PRESSURE: 4447800 -194.421 37.3988 -104.897 37.3982 -162.903 -69.3838 -104.897 -69.3849 -273.214 GPRESSURE: 4447800 -175.445 32.3081 -81.1113 74.2632 -134.781 -15.458 -19.4278 -47.9772 -224.903 PRESSAVG: 4447800 -67.6408 21.5954 -46.338 21.5954 20.7304 7.47946 -46.3379 7.47932 79.6706 GPRESSAVG: 4447800 -68.8876 22.7228 -46.6799 20.8645 22.2726 8.09394 -45.0914 3.71615 79.3531 TIMING: 4447800 CPU: 13364.9, 0.00300804/step Wall: 13364.9, 0.00300804/step, 0.4614 hours remaining, 208.156250 MB of memory in use. ENERGY: 4447800 748.3773 2036.5186 1930.4809 109.4735 -205865.6596 17402.0581 0.0000 0.0000 33924.9290 -149713.8222 296.2748 -183638.7512 -149616.1084 297.7082 -210.1793 -178.3768 557379.4738 10.9200 10.9127 PRESSURE: 4448000 234.628 -61.8031 24.9567 -61.8021 242.751 124.866 24.9569 124.866 77.3368 GPRESSURE: 4448000 217.708 -124.703 9.57843 -83.4607 303.294 79.3671 48.0909 103.559 130.224 PRESSAVG: 4448000 -51.1949 -42.042 -50.8564 -42.042 46.3928 16.6772 -50.8564 16.6772 17.2774 GPRESSAVG: 4448000 -50.5399 -41.532 -51.6433 -43.8411 46.9361 16.916 -51.5982 17.3045 16.2305 TIMING: 4448000 CPU: 13365.5, 0.00301/step Wall: 13365.5, 0.00301/step, 0.461533 hours remaining, 208.156250 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: 4448000 721.7140 2150.6932 1943.8587 118.0369 -206441.8810 17933.3959 0.0000 0.0000 34042.3320 -149531.8502 297.3002 -183574.1822 -149433.6604 297.4845 184.9055 217.0752 557108.9751 4.1584 4.2089 PRESSURE: 4448200 -111.813 -97.6772 16.6767 -97.6786 178.218 -47.0262 16.6768 -47.0249 -26.362 GPRESSURE: 4448200 -43.3645 -151.428 8.75579 -28.4658 215.882 -67.7583 22.219 19.5748 -24.1389 PRESSAVG: 4448200 -52.3846 -21.0335 -6.53912 -21.0335 67.1691 30.5272 -6.53908 30.5271 -9.39055 GPRESSAVG: 4448200 -53.2243 -21.9072 -6.1066 -20.3968 65.3567 30.366 -6.36546 29.7318 -6.65116 TIMING: 4448200 CPU: 13366.1, 0.00306292/step Wall: 13366.1, 0.00306292/step, 0.469478 hours remaining, 208.156250 MB of memory in use. ENERGY: 4448200 748.3722 2056.4678 1955.1537 117.1683 -206541.8049 17913.0152 0.0000 0.0000 34314.1877 -149437.4401 299.6743 -183751.6277 -149341.4901 298.6560 13.3478 49.4595 556719.6380 1.7980 1.8271 LDB: ============= START OF LOAD BALANCING ============== 13369.5 LDB: ============== END OF LOAD BALANCING =============== 13369.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13369.5 LDB: ============= START OF LOAD BALANCING ============== 13369.8 LDB: Largest compute 4820 load 0.023268 is 19.7% of average load 0.118015 LDB: Average compute 0.001733 is 1.5% of average load 0.118015 LDB: TIME 13369.8 LOAD: AVG 0.118015 MAX 0.22017 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.656 MB LDB: TIME 13369.8 LOAD: AVG 0.118015 MAX 0.22017 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.656 MB LDB: TIME 13369.8 LOAD: AVG 0.118015 MAX 0.22017 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.656 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13369.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13369.8 PRESSURE: 4448400 -66.9296 177.371 -173.86 177.372 -6.21108 69.122 -173.86 69.1218 -131.809 GPRESSURE: 4448400 25.2085 142.519 -160.277 172.926 22.698 117.064 -128.809 106.37 -162.996 PRESSAVG: 4448400 -8.92287 -27.117 -49.5966 -27.1169 29.2646 -20.0876 -49.5965 -20.0876 19.5205 GPRESSAVG: 4448400 -8.62555 -28.6479 -48.493 -26.7282 31.0664 -20.3835 -48.8145 -18.6358 17.3741 TIMING: 4448400 CPU: 13366.7, 0.00309686/step Wall: 13366.7, 0.00309686/step, 0.474509 hours remaining, 207.917969 MB of memory in use. ENERGY: 4448400 771.5085 2072.1332 1906.2422 107.6958 -206259.9371 17819.9719 0.0000 0.0000 34026.0853 -149556.3002 297.1583 -183582.3856 -149458.7576 298.4002 -68.3166 -38.3631 556025.8116 13.2874 13.2716 PRESSURE: 4448600 -103.127 -81.1196 -43.9312 -81.1201 -123.548 -130.679 -43.9316 -130.679 169.081 GPRESSURE: 4448600 -57.1904 -19.7685 -23.7842 -135.495 -121.601 -137.586 40.0142 -68.0741 213.262 PRESSAVG: 4448600 49.3084 39.0866 -10.3951 39.0867 22.1527 -41.5945 -10.395 -41.5945 -2.0353 GPRESSAVG: 4448600 49.695 39.2404 -11.346 39.8041 21.0417 -42.6744 -10.0909 -40.4591 -1.07347 TIMING: 4448600 CPU: 13367.3, 0.00303467/step Wall: 13367.3, 0.00303467/step, 0.464811 hours remaining, 207.917969 MB of memory in use. ENERGY: 4448600 736.2543 2048.0331 1945.5144 136.5069 -206269.2790 17748.2826 0.0000 0.0000 34204.1855 -149450.5023 298.7137 -183654.6878 -149358.0419 298.3464 -19.1980 11.4901 555474.9008 23.1419 23.2211 PRESSURE: 4448800 -207.866 -56.3381 26.0159 -56.3374 -236.24 329.885 26.018 329.884 -540.129 GPRESSURE: 4448800 -190.893 -2.8022 -47.623 -141.92 -237.358 224.83 93.5991 343.981 -454.607 PRESSAVG: 4448800 16.1659 2.8736 -21.3691 2.87367 49.1643 11.2304 -21.369 11.2304 -47.115 GPRESSAVG: 4448800 16.0188 4.16215 -22.3402 0.75327 48.9538 13.3615 -20.6791 8.96594 -47.2206 TIMING: 4448800 CPU: 13367.9, 0.00302845/step Wall: 13367.9, 0.00302845/step, 0.46369 hours remaining, 207.917969 MB of memory in use. ENERGY: 4448800 756.1782 2103.3957 1917.2101 116.7318 -205726.0221 17258.8415 0.0000 0.0000 34211.5714 -149362.0934 298.7782 -183573.6648 -149263.0072 298.6651 -328.0782 -294.2859 557538.8500 6.0717 5.9173 PRESSURE: 4449000 -109.688 50.2546 -108.621 50.2556 -29.0947 -63.2378 -108.621 -63.2369 157.602 GPRESSURE: 4449000 -117.204 70.0701 -117.038 96.221 45.5155 -166.742 -15.003 -11.5401 178.379 PRESSAVG: 4449000 20.6711 20.9971 -28.2888 20.997 55.1937 -16.9038 -28.2888 -16.9037 -29.9793 GPRESSAVG: 4449000 20.0616 21.1055 -28.7496 21.9728 56.3357 -19.2744 -28.9004 -12.9364 -30.8027 TIMING: 4449000 CPU: 13368.5, 0.00303195/step Wall: 13368.5, 0.00303195/step, 0.464057 hours remaining, 207.917969 MB of memory in use. ENERGY: 4449000 749.5318 2096.3080 1973.7306 118.1290 -206363.2146 17730.6656 0.0000 0.0000 34328.2919 -149366.5575 299.7975 -183694.8495 -149265.6485 299.3878 6.2733 35.5636 555767.2463 15.2951 15.1982 PRESSURE: 4449200 -225.24 -84.5196 73.1147 -84.5195 -64.6885 -32.2296 73.1131 -32.2302 -41.5088 GPRESSURE: 4449200 -200.368 -118.911 28.5793 -126.956 6.40923 -48.5342 35.0549 -42.1005 -41.9134 PRESSAVG: 4449200 -14.3425 8.84843 14.9336 8.84847 18.6385 -7.00432 14.9335 -7.00438 -46.7916 GPRESSAVG: 4449200 -14.0262 8.67317 14.8655 10.4968 17.7591 -7.42024 15.3055 -9.22773 -46.0556 TIMING: 4449200 CPU: 13369.1, 0.00302361/step Wall: 13369.1, 0.00302361/step, 0.462612 hours remaining, 207.917969 MB of memory in use. ENERGY: 4449200 756.2297 2093.0895 1932.4840 108.4107 -206031.7077 17588.9067 0.0000 0.0000 34328.9215 -149223.6656 299.8030 -183552.5871 -149129.6789 299.3652 -110.4792 -78.6239 557414.2786 -14.1652 -14.1076 PRESSURE: 4449400 -236.98 -59.5823 46.1162 -59.5831 -297.463 -95.5858 46.1159 -95.5875 -188.724 GPRESSURE: 4449400 -273.783 -59.4352 39.8063 -19.441 -188.464 -87.5301 -17.465 6.51147 -154.395 PRESSAVG: 4449400 -6.64156 1.08594 -8.61155 1.08596 -15.7203 -18.5423 -8.61163 -18.5424 -9.88361 GPRESSAVG: 4449400 -6.56835 0.461935 -6.83152 -0.81027 -15.9638 -18.3283 -9.09539 -16.5078 -9.79895 TIMING: 4449400 CPU: 13369.7, 0.00302403/step Wall: 13369.7, 0.00302403/step, 0.462508 hours remaining, 207.917969 MB of memory in use. ENERGY: 4449400 811.5642 2044.5931 1946.9331 121.0768 -205756.5661 17381.0327 0.0000 0.0000 34223.2010 -149228.1652 298.8797 -183451.3662 -149125.7674 299.6491 -241.0554 -205.5473 557136.2142 -10.7485 -10.7770 PRESSURE: 4449600 -7.63017 17.9946 34.6433 17.9937 -159.123 67.9957 34.6414 67.9949 -423.803 GPRESSURE: 4449600 -61.3036 10.6897 33.5927 77.0354 -61.0191 56.263 29.8672 127.159 -357.385 PRESSAVG: 4449600 30.2754 69.1972 -0.521972 69.1972 37.328 58.8004 -0.521922 58.8003 -40.5583 GPRESSAVG: 4449600 31.8462 71.3636 -1.13994 69.471 37.9674 59.6913 -1.64865 57.1205 -43.0698 TIMING: 4449600 CPU: 13370.4, 0.003047/step Wall: 13370.4, 0.003047/step, 0.465852 hours remaining, 207.917969 MB of memory in use. ENERGY: 4449600 786.0823 2081.2018 1915.9133 105.5510 -206183.3555 17712.6240 0.0000 0.0000 34276.0803 -149305.9028 299.3415 -183581.9830 -149218.3267 299.0266 -196.8523 -159.9026 559042.5031 9.0150 8.9146 PRESSURE: 4449800 143.693 -37.8159 -3.39299 -37.8167 81.7762 -103.051 -3.39369 -103.053 214.284 GPRESSURE: 4449800 271.169 -40.8959 -24.7739 45.5734 23.366 -80.9465 88.9658 -104.347 234.368 PRESSAVG: 4449800 39.8947 47.4148 -20.4115 47.4149 22.1426 21.5191 -20.4114 21.5189 -45.7598 GPRESSAVG: 4449800 38.4303 47.5316 -18.5502 48.7482 22.8586 23.5483 -19.8732 20.5529 -44.9383 TIMING: 4449800 CPU: 13371, 0.00305344/step Wall: 13371, 0.00305344/step, 0.466667 hours remaining, 207.917969 MB of memory in use. ENERGY: 4449800 733.1310 2125.0787 1934.7424 113.3474 -206354.3583 18005.5826 0.0000 0.0000 34074.6809 -149367.7953 297.5827 -183442.4762 -149268.3826 298.3529 146.5842 176.3008 556818.8142 5.4259 5.4502 PRESSURE: 4450000 249.393 -66.0951 203.769 -66.095 -48.7695 -64.3154 203.77 -64.3155 -258.748 GPRESSURE: 4450000 282.641 -97.1096 251.286 -30.3822 -49.0639 -84.9661 128.439 -87.9093 -202.206 PRESSAVG: 4450000 33.071 -31.3521 -11.0372 -31.3521 -24.491 -76.6285 -11.0372 -76.6285 -51.8804 GPRESSAVG: 4450000 31.717 -32.0565 -11.4958 -31.8501 -24.5876 -76.0822 -11.8315 -75.7067 -50.1828 TIMING: 4450000 CPU: 13371.6, 0.00302615/step Wall: 13371.6, 0.00302615/step, 0.462329 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: 4450000 742.2167 2081.4562 1927.3615 105.8476 -206395.0685 17915.5905 0.0000 0.0000 34174.4004 -149448.1956 298.4535 -183622.5960 -149349.0123 298.5231 -19.3748 10.4572 556652.7058 -14.4335 -14.3511 PRESSURE: 4450200 -347.277 22.2696 16.8813 22.2696 -392.715 29.918 16.8805 29.918 10.4005 GPRESSURE: 4450200 -299.187 47.1526 -1.10313 28.356 -352.619 -26.1088 84.179 97.1647 24.5669 PRESSAVG: 4450200 -55.862 -18.1832 -14.8709 -18.1832 -4.00844 -64.6961 -14.8709 -64.6962 65.962 GPRESSAVG: 4450200 -55.8615 -19.8849 -15.2321 -17.8659 -3.59763 -64.3889 -13.0525 -64.9646 65.4216 TIMING: 4450200 CPU: 13372.2, 0.00304789/step Wall: 13372.2, 0.00304789/step, 0.46548 hours remaining, 207.917969 MB of memory in use. ENERGY: 4450200 795.1738 2039.7688 1946.8579 116.5034 -206254.9227 17746.8099 0.0000 0.0000 34297.6473 -149312.1616 299.5299 -183609.8089 -149213.9712 298.8116 -243.1972 -209.0795 559135.9276 2.0305 1.9875 PRESSURE: 4450400 -56.3898 116.442 27.5205 116.441 -71.5911 -1.38457 27.5208 -1.38361 181.876 GPRESSURE: 4450400 4.94511 146.316 20.5238 55.5742 -45.0456 0.390575 41.7968 -89.8934 201.065 PRESSAVG: 4450400 -10.3711 -21.7816 -55.6034 -21.7815 -67.8422 -33.4602 -55.6035 -33.4602 60.1526 GPRESSAVG: 4450400 -9.18423 -19.2159 -55.2722 -22.6746 -67.886 -37.3487 -57.3699 -32.564 58.5657 TIMING: 4450400 CPU: 13372.8, 0.00304538/step Wall: 13372.8, 0.00304538/step, 0.464928 hours remaining, 207.917969 MB of memory in use. ENERGY: 4450400 764.1732 2050.7673 1931.5225 121.7274 -206143.1784 17729.1677 0.0000 0.0000 34351.9483 -149193.8720 300.0041 -183545.8204 -149090.9510 299.0991 17.9650 53.6547 557223.0269 -6.0202 -6.1682 PRESSURE: 4450600 283.671 -72.3202 39.2676 -72.3198 138.678 87.2689 39.2683 87.269 114.556 GPRESSURE: 4450600 327.115 -2.49053 -4.30221 -72.4409 191.537 120.599 120.281 110.841 116.669 PRESSAVG: 4450600 44.8673 2.94582 -35.1428 2.94585 -30.365 37.785 -35.1428 37.7849 -11.0145 GPRESSAVG: 4450600 44.2778 2.69711 -34.3107 4.1192 -30.2822 40.4053 -34.8584 36.9285 -10.6047 TIMING: 4450600 CPU: 13373.4, 0.00304319/step Wall: 13373.4, 0.00304319/step, 0.464425 hours remaining, 207.917969 MB of memory in use. ENERGY: 4450600 735.8092 2107.5567 1961.9273 113.4817 -206243.2483 18042.3984 0.0000 0.0000 34140.6777 -149141.3973 298.1590 -183282.0750 -149050.0693 299.5705 178.9682 211.7733 556826.2030 1.1626 1.1303 PRESSURE: 4450800 -194.776 98.4446 131.859 98.4446 -27.5764 15.7905 131.858 15.7906 -122.429 GPRESSURE: 4450800 -181.895 126.93 93.7308 62.3949 -16.3675 15.2344 130.431 -78.8769 -55.3113 PRESSAVG: 4450800 31.7584 18.7308 -17.0347 18.7308 66.3413 63.6779 -17.0348 63.6777 -55.9717 GPRESSAVG: 4450800 32.2371 17.5323 -18.2477 18.7008 65.7772 63.5846 -17.3084 62.7641 -55.6893 TIMING: 4450800 CPU: 13374, 0.00304804/step Wall: 13374, 0.00304804/step, 0.464995 hours remaining, 207.917969 MB of memory in use. ENERGY: 4450800 724.3364 2075.6980 1952.4562 117.6306 -205845.4789 17443.6933 0.0000 0.0000 34316.6823 -149214.9820 299.6961 -183531.6643 -149111.1815 299.0848 -114.9272 -84.5244 557860.4682 14.0427 14.1083 PRESSURE: 4451000 -198.753 242.731 -128.222 242.731 164.184 49.4537 -128.223 49.4555 -149.259 GPRESSURE: 4451000 -177.236 251.235 -104.843 164.349 180.44 85.7232 -73.3264 75.3935 -96.5768 PRESSAVG: 4451000 37.6513 -0.0450987 -80.7726 -0.0450439 16.291 23.7334 -80.7727 23.7334 -45.5699 GPRESSAVG: 4451000 37.6709 -0.158509 -80.0377 -0.800742 16.6665 23.4701 -80.6578 24.786 -45.8767 TIMING: 4451000 CPU: 13374.6, 0.00303771/step Wall: 13374.6, 0.00303771/step, 0.463251 hours remaining, 207.917969 MB of memory in use. ENERGY: 4451000 739.4979 2079.8032 1939.4175 121.7793 -205896.6309 17630.1757 0.0000 0.0000 34140.1450 -149245.8123 298.1544 -183385.9573 -149151.0650 299.0375 -61.2761 -31.1243 555896.5480 2.7908 2.8202 PRESSURE: 4451200 48.7996 64.1085 158.702 64.1074 162.225 -196.686 158.703 -196.686 -17.4308 GPRESSURE: 4451200 59.2954 28.321 127.172 108.736 190.685 -99.6 132.835 -175.115 30.2412 PRESSAVG: 4451200 -40.7543 7.49489 -20.313 7.49493 43.3726 -10.3265 -20.3129 -10.3265 -30.1646 GPRESSAVG: 4451200 -41.5117 7.4169 -20.3032 9.59652 43.2723 -9.81631 -19.2294 -9.7597 -29.5435 TIMING: 4451200 CPU: 13375.2, 0.00303301/step Wall: 13375.2, 0.00303301/step, 0.462365 hours remaining, 207.917969 MB of memory in use. ENERGY: 4451200 689.1835 2085.9821 1971.8969 107.6925 -206201.8222 17664.2609 0.0000 0.0000 34325.7590 -149357.0474 299.7754 -183682.8064 -149257.7216 298.3035 64.5314 93.4071 556135.0055 -9.1821 -9.2610 PRESSURE: 4451400 -118.038 19.4774 -270.415 19.4767 177.821 101.508 -270.415 101.508 172.187 GPRESSURE: 4451400 -78.0813 20.0271 -236.124 0.206443 182.081 116.737 -227.846 80.5347 212.856 PRESSAVG: 4451400 -28.0944 37.2714 -71.0746 37.2714 -7.31047 25.8045 -71.0746 25.8047 32.9603 GPRESSAVG: 4451400 -28.8769 36.3892 -72.7993 35.2627 -7.26582 24.4151 -71.6028 25.63 34.268 TIMING: 4451400 CPU: 13375.8, 0.00301598/step Wall: 13375.8, 0.00301598/step, 0.459602 hours remaining, 207.917969 MB of memory in use. ENERGY: 4451400 709.4749 2069.9526 1973.3272 101.1491 -206332.9491 17834.0047 0.0000 0.0000 34389.2726 -149255.7680 300.3301 -183645.0407 -149168.6178 299.2351 77.3235 105.6188 557543.2659 -0.8148 -0.6249 PRESSURE: 4451600 11.1673 23.1741 -126.805 23.1753 251.467 -35.7642 -126.805 -35.7672 -89.9623 GPRESSURE: 4451600 32.8439 -9.20623 -160.259 -50.2668 257.628 -0.259022 -168.46 -146.748 -26.1448 PRESSAVG: 4451600 83.2829 -21.2173 -8.83922 -21.2174 13.9423 28.4574 -8.83925 28.4573 -60.6396 GPRESSAVG: 4451600 84.4154 -22.0046 -7.86102 -20.4053 14.2706 28.8937 -10.055 26.9844 -62.8935 TIMING: 4451600 CPU: 13376.4, 0.00303298/step Wall: 13376.4, 0.00303298/step, 0.462023 hours remaining, 207.917969 MB of memory in use. ENERGY: 4451600 781.6953 2040.6013 1915.0455 106.9967 -206419.4476 18090.3294 0.0000 0.0000 34344.5270 -149140.2524 299.9393 -183484.7794 -149050.1736 299.4476 57.5575 88.1091 557494.0325 12.1952 11.9308 PRESSURE: 4451800 -245.768 60.1383 24.6573 60.1383 -28.0604 -68.0924 24.658 -68.0934 -270.174 GPRESSURE: 4451800 -204.984 0.543969 3.3885 64.4399 -5.4733 -9.6268 66.1044 -117.302 -240.327 PRESSAVG: 4451800 9.80794 -4.35259 33.1983 -4.35258 -13.4371 12.6268 33.1984 12.6269 -6.07344 GPRESSAVG: 4451800 9.98197 -2.44495 33.05 -6.42039 -13.5051 12.936 33.484 14.591 -6.14706 TIMING: 4451800 CPU: 13377, 0.00306009/step Wall: 13377, 0.00306009/step, 0.465983 hours remaining, 207.917969 MB of memory in use. ENERGY: 4451800 749.6492 2060.2306 1948.4396 126.4487 -205768.6432 17527.9261 0.0000 0.0000 34261.8140 -149094.1350 299.2169 -183355.9490 -148996.6236 299.1101 -181.3342 -150.2613 558154.3458 -3.2342 -3.2234 PRESSURE: 4452000 -171.963 -94.1457 -37.8276 -94.1455 -197.842 -38.5018 -37.8276 -38.5027 -206.231 GPRESSURE: 4452000 -132.179 -107.992 -8.37013 -101.36 -144.265 72.1388 -94.7506 -125.939 -199.337 PRESSAVG: 4452000 76.0893 -53.0851 42.7069 -53.0851 1.99319 -3.35595 42.7069 -3.35587 3.58561 GPRESSAVG: 4452000 76.46 -52.4471 43.5713 -53.1827 1.86252 -3.54064 42.4072 -5.19937 3.05782 TIMING: 4452000 CPU: 13377.7, 0.00306098/step Wall: 13377.7, 0.00306098/step, 0.46595 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: 4452000 749.7733 2060.3071 1965.6443 105.7314 -205610.7175 17577.8035 0.0000 0.0000 34154.7715 -148996.6865 298.2821 -183151.4580 -148903.6420 299.7200 -192.0119 -158.5935 557903.1351 27.2227 27.1268 PRESSURE: 4452200 -329.578 -25.1992 132.222 -25.2 -188.055 52.1771 132.222 52.1794 -147.864 GPRESSURE: 4452200 -217.013 -18.9716 67.778 -40.9716 -177.855 3.55683 122.952 66.0619 -180.648 PRESSAVG: 4452200 -8.78192 -25.0581 -25.6503 -25.0582 -21.8534 -20.5225 -25.6504 -20.5225 32.2964 GPRESSAVG: 4452200 -8.66946 -25.1717 -27.9246 -23.4433 -23.628 -20.9773 -24.4876 -18.0825 34.3212 TIMING: 4452200 CPU: 13378.3, 0.00307066/step Wall: 13378.3, 0.00307066/step, 0.467252 hours remaining, 207.917969 MB of memory in use. ENERGY: 4452200 756.7728 2040.1762 1941.2480 111.1237 -205585.4495 17433.4161 0.0000 0.0000 34286.6945 -149016.0183 299.4342 -183302.7128 -148920.2221 300.1884 -221.8322 -191.8389 557308.5564 0.5537 0.6746 LDB: ============= START OF LOAD BALANCING ============== 13381.7 LDB: ============== END OF LOAD BALANCING =============== 13381.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13381.7 LDB: ============= START OF LOAD BALANCING ============== 13382 LDB: Largest compute 4820 load 0.024955 is 21.1% of average load 0.118186 LDB: Average compute 0.001728 is 1.5% of average load 0.118186 LDB: TIME 13382 LOAD: AVG 0.118186 MAX 0.223614 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.633 MB LDB: TIME 13382 LOAD: AVG 0.118186 MAX 0.223614 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.66 MB LDB: TIME 13382 LOAD: AVG 0.118186 MAX 0.223614 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.66 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13382 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 PRESSURE: 4452400 136.587 -43.291 11.6674 -43.2918 -278.39 205.088 11.6674 205.087 -136.459 GPRESSURE: 4452400 94.0938 -22.0772 31.6129 -59.1232 -177.738 241.259 59.6387 236.034 -106.588 PRESSAVG: 4452400 103.362 8.45766 22.8759 8.45763 -77.1148 4.46398 22.8759 4.46398 0.395239 GPRESSAVG: 4452400 101.938 10.4581 21.8534 4.82144 -75.7178 6.93322 22.2908 0.961682 -0.180101 TIMING: 4452400 CPU: 13378.9, 0.0031181/step Wall: 13378.9, 0.0031181/step, 0.474298 hours remaining, 209.589844 MB of memory in use. ENERGY: 4452400 775.1738 2061.0605 1956.3076 105.5778 -206028.3196 17757.4890 0.0000 0.0000 34377.8017 -148994.9092 300.2299 -183372.7110 -148895.0585 299.7886 -92.7540 -63.4108 557356.9708 8.8809 8.6801 PRESSURE: 4452600 311.827 4.24778 -0.382414 4.24708 183.546 77.611 -0.382609 77.6102 -101.659 GPRESSURE: 4452600 313.18 17.2869 37.1127 -32.6972 183.554 159.362 -0.727825 13.5352 -6.19546 PRESSAVG: 4452600 88.8348 12.4662 7.31751 12.4661 2.98747 -9.1882 7.31746 -9.18818 -42.2514 GPRESSAVG: 4452600 89.6654 8.13365 9.87036 16.6727 1.86674 -11.8143 5.55303 -6.40531 -42.5148 TIMING: 4452600 CPU: 13379.5, 0.00307815/step Wall: 13379.5, 0.00307815/step, 0.46805 hours remaining, 209.660156 MB of memory in use. ENERGY: 4452600 758.3990 2063.3064 1978.6280 119.0756 -206291.1796 18044.0693 0.0000 0.0000 34323.7060 -149003.9952 299.7575 -183327.7013 -148909.6174 299.6222 131.2379 163.5129 559053.9615 16.5236 16.3391 PRESSURE: 4452800 -174.244 -165.853 23.1363 -165.853 -81.3995 77.9679 23.1352 77.9684 -246.196 GPRESSURE: 4452800 -181.542 -58.9011 -20.5728 -315.723 25.332 76.2232 -54.7015 69.0985 -245.192 PRESSAVG: 4452800 80.2844 68.4573 64.0584 68.4574 87.7587 -9.58203 64.0585 -9.58207 -140.896 GPRESSAVG: 4452800 80.4946 69.9807 62.9441 65.8563 88.1505 -7.63705 65.7564 -10.865 -141.339 TIMING: 4452800 CPU: 13380.1, 0.00303712/step Wall: 13380.1, 0.00303712/step, 0.461642 hours remaining, 209.660156 MB of memory in use. ENERGY: 4452800 757.2126 2037.4345 1955.1993 126.4022 -205743.3719 17560.9685 0.0000 0.0000 34494.8103 -148811.3445 301.2518 -183306.1548 -148713.5598 300.1329 -167.2797 -133.8006 558761.5698 9.0490 9.1019 PRESSURE: 4453000 88.464 87.1056 104.621 87.1061 62.4995 -56.4809 104.621 -56.4793 -77.0981 GPRESSURE: 4453000 167.056 54.3871 52.802 128.299 61.855 -27.1738 -19.2231 26.8517 -62.1657 PRESSAVG: 4453000 20.4148 8.00995 43.4698 8.00998 34.6242 -6.83108 43.4699 -6.83105 -15.9982 GPRESSAVG: 4453000 19.6018 7.75409 44.4799 9.27766 34.7201 -7.63478 43.14 -5.86871 -15.3864 TIMING: 4453000 CPU: 13380.7, 0.00303758/step Wall: 13380.7, 0.00303758/step, 0.461544 hours remaining, 209.902344 MB of memory in use. ENERGY: 4453000 742.2246 2043.3042 1906.8970 122.0103 -205702.8414 17631.3742 0.0000 0.0000 34446.7288 -148810.3022 300.8319 -183257.0310 -148717.0947 300.7269 24.6218 55.5819 558718.6384 13.0136 12.9785 PRESSURE: 4453200 131.279 -105.113 -56.0037 -105.112 59.583 81.6743 -56.0045 81.6747 70.2888 GPRESSURE: 4453200 168.821 -79.9614 -47.3768 -56.1647 137.824 116.812 -39.6337 64.4762 45.2843 PRESSAVG: 4453200 26.0486 -28.7259 -15.4244 -28.7258 47.6968 3.88591 -15.4244 3.88582 -37.1595 GPRESSAVG: 4453200 26.8531 -27.059 -16.5893 -29.6174 47.0862 3.07143 -13.5075 5.18781 -37.4982 TIMING: 4453200 CPU: 13381.3, 0.00306884/step Wall: 13381.3, 0.00306884/step, 0.466122 hours remaining, 209.902344 MB of memory in use. ENERGY: 4453200 782.8518 2042.3168 1931.2557 105.3170 -206160.4016 18002.3762 0.0000 0.0000 34347.3911 -148948.8929 299.9643 -183296.2840 -148847.4723 299.7645 87.0501 117.3095 558062.0981 12.1953 12.1470 PRESSURE: 4453400 -45.5785 0.622892 31.9157 0.624055 -99.1149 -88.6095 31.9172 -88.6092 -165.594 GPRESSURE: 4453400 -2.09466 -91.3855 4.81889 40.8267 -71.9074 -143.157 -0.504075 -26.5258 -131.172 PRESSAVG: 4453400 -8.27701 -23.0662 -13.4901 -23.0661 29.3334 34.5081 -13.4899 34.508 -10.8842 GPRESSAVG: 4453400 -8.4961 -21.1996 -12.2625 -24.5061 29.1128 35.5641 -14.9045 34.1503 -11.03 TIMING: 4453400 CPU: 13381.9, 0.00302833/step Wall: 13381.9, 0.00302833/step, 0.459802 hours remaining, 209.902344 MB of memory in use. ENERGY: 4453400 752.5666 2057.6218 1935.7128 123.1404 -206033.0591 17756.9804 0.0000 0.0000 34345.3846 -149061.6526 299.9468 -183407.0372 -148966.9588 300.0486 -103.4292 -68.3914 557945.1060 3.3907 3.1955 PRESSURE: 4453600 61.3767 8.55826 -123.628 8.55842 29.2461 29.0055 -123.626 29.0057 -104.123 GPRESSURE: 4453600 46.2857 3.03347 -84.2807 35.2402 54.8165 -7.27949 -99.3795 48.4264 -20.9667 PRESSAVG: 4453600 16.8756 18.2681 52.6083 18.268 -24.9558 49.0481 52.6083 49.0481 15.3494 GPRESSAVG: 4453600 17.3772 14.903 53.4805 20.3014 -25.1125 47.4304 51.2285 49.4089 14.7493 TIMING: 4453600 CPU: 13382.6, 0.00303276/step Wall: 13382.6, 0.00303276/step, 0.460306 hours remaining, 209.902344 MB of memory in use. ENERGY: 4453600 732.4761 2071.6319 1953.1225 128.2419 -205965.9788 17706.6609 0.0000 0.0000 34343.1403 -149030.7052 299.9272 -183373.8455 -148929.3078 299.4495 -4.5001 26.7118 557682.3553 2.4230 2.3380 PRESSURE: 4453800 56.3672 -8.85244 85.9618 -8.85188 25.7045 82.3776 85.9626 82.3776 377.073 GPRESSURE: 4453800 82.0691 -31.4653 33.3714 -11.8627 38.9925 91.5657 106.159 98.6476 423.193 PRESSAVG: 4453800 0.996125 22.3735 -33.6323 22.3735 2.4568 37.6014 -33.6322 37.6014 13.2985 GPRESSAVG: 4453800 1.02363 23.6127 -35.68 22.5326 1.78701 39.1603 -31.7835 36.5053 13.7749 TIMING: 4453800 CPU: 13383.2, 0.00304359/step Wall: 13383.2, 0.00304359/step, 0.46178 hours remaining, 209.902344 MB of memory in use. ENERGY: 4453800 745.0437 2122.0812 1912.2869 115.9681 -206077.1277 17947.4876 0.0000 0.0000 34182.0830 -149052.1773 298.5206 -183234.2603 -148951.5630 298.9581 153.0482 181.4183 557501.0076 5.5838 5.5285 PRESSURE: 4454000 -16.4804 58.9534 34.9575 58.9534 -220.775 -71.1652 34.9569 -71.1644 7.70353 GPRESSURE: 4454000 31.5608 51.567 45.0986 -45.4431 -211.262 -23.0066 21.7379 -54.4019 47.7069 PRESSAVG: 4454000 -74.5301 -11.5648 48.499 -11.5648 -8.80071 -51.1493 48.4989 -51.1492 25.3311 GPRESSAVG: 4454000 -76.138 -12.0345 51.2881 -13.6638 -7.1357 -51.6083 47.2733 -50.0039 24.6093 TIMING: 4454000 CPU: 13383.8, 0.00301451/step Wall: 13383.8, 0.00301451/step, 0.457201 hours remaining, 209.902344 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: 4454000 794.2251 2070.4517 1931.5185 106.9064 -205934.8989 17650.1739 0.0000 0.0000 34435.5129 -148946.1103 300.7339 -183381.6232 -148850.1691 299.7745 -76.5172 -43.9981 558229.1229 -19.3333 -19.5548 PRESSURE: 4454200 40.4673 -215.744 184.774 -215.745 223.596 -13.2372 184.774 -13.2364 5.13593 GPRESSURE: 4454200 71.512 -130.542 131.423 -241.408 219.919 67.4108 158.731 -29.8956 67.1218 PRESSAVG: 4454200 -9.28333 -12.3091 -10.3252 -12.3091 -40.0707 -82.4678 -10.3252 -82.4678 33.5229 GPRESSAVG: 4454200 -9.19626 -12.123 -13.3939 -10.1096 -40.6696 -81.704 -9.87805 -83.6765 33.4778 TIMING: 4454200 CPU: 13384.4, 0.00303843/step Wall: 13384.4, 0.00303843/step, 0.460659 hours remaining, 209.902344 MB of memory in use. ENERGY: 4454200 774.3509 2125.0357 1943.1676 108.3408 -206216.9535 17905.5947 0.0000 0.0000 34439.0463 -148921.4176 300.7648 -183360.4639 -148822.7740 300.3906 89.7329 119.5174 556357.9449 -5.2771 -5.4627 PRESSURE: 4454400 -219.394 78.1241 132.649 78.1241 -192.066 -61.256 132.651 -61.2562 148.069 GPRESSURE: 4454400 -145.119 64.785 77.8383 52.076 -222.305 -28.1643 86.5578 -14.3513 196.425 PRESSAVG: 4454400 -0.665223 -32.1435 -23.4621 -32.1435 19.6415 -34.5153 -23.4621 -34.5154 28.0926 GPRESSAVG: 4454400 0.390493 -33.09 -22.1952 -31.5074 18.2532 -34.0872 -23.0459 -34.9539 28.1905 TIMING: 4454400 CPU: 13385, 0.003027/step Wall: 13385, 0.003027/step, 0.458759 hours remaining, 209.902344 MB of memory in use. ENERGY: 4454400 708.6936 2118.7445 1932.2285 107.1803 -205846.1614 17678.2897 0.0000 0.0000 34478.1197 -148822.9053 301.1060 -183301.0249 -148726.9878 300.0176 -87.7970 -56.9998 558833.6770 15.6896 15.6114 PRESSURE: 4454600 105.002 -156.148 -112.966 -156.147 -57.5044 140.688 -112.966 140.688 -128.388 GPRESSURE: 4454600 128.938 -188.141 -64.5045 -127.427 -44.8749 109.253 -102.996 130.956 -68.2618 PRESSAVG: 4454600 -20.3449 11.7094 -29.451 11.7093 -32.0588 -12.268 -29.451 -12.2679 48.7424 GPRESSAVG: 4454600 -21.603 13.2644 -29.2213 10.3329 -30.4445 -13.7487 -30.9884 -11.0939 48.5861 TIMING: 4454600 CPU: 13385.6, 0.00301085/step Wall: 13385.6, 0.00301085/step, 0.456144 hours remaining, 209.902344 MB of memory in use. ENERGY: 4454600 744.4275 2076.3365 1951.9235 114.5747 -205990.6764 17849.5104 0.0000 0.0000 34452.0802 -148801.8235 300.8786 -183253.9037 -148708.0729 300.1347 -26.9632 5.2672 558390.8109 -1.2204 -1.1538 PRESSURE: 4454800 -139.23 98.6441 -30.3446 98.6446 -151.048 99.0124 -30.3446 99.0139 68.3536 GPRESSURE: 4454800 -183.924 184.792 -12.3975 -9.17039 -0.218362 114.185 -43.0353 93.9536 78.6511 PRESSAVG: 4454800 -42.7175 -14.1462 -13.2586 -14.1462 -8.78297 61.2092 -13.2586 61.2093 69.4833 GPRESSAVG: 4454800 -41.5253 -14.008 -13.5166 -14.8183 -9.23999 61.9122 -10.7898 60.9782 68.7972 TIMING: 4454800 CPU: 13386.2, 0.00301061/step Wall: 13386.2, 0.00301061/step, 0.45594 hours remaining, 209.902344 MB of memory in use. ENERGY: 4454800 752.9363 2159.1691 1932.0374 113.7064 -205985.7569 17780.1723 0.0000 0.0000 34456.7235 -148791.0121 300.9191 -183247.7355 -148699.2793 299.8483 -73.9749 -35.1639 559614.7260 5.9943 6.0106 PRESSURE: 4455000 -96.6194 157.464 131.041 157.464 -189.715 -3.29441 131.041 -3.29373 -112.498 GPRESSURE: 4455000 -22.9723 133.156 133.664 114.154 -253.974 -34.7711 162.765 -17.0066 -30.2042 PRESSAVG: 4455000 22.0336 0.922611 -11.3802 0.922695 -35.9633 -7.60617 -11.3803 -7.60615 17.017 GPRESSAVG: 4455000 21.9015 -0.223224 -12.9655 0.843914 -36.3655 -9.30266 -12.0076 -6.97035 17.867 TIMING: 4455000 CPU: 13386.8, 0.00302077/step Wall: 13386.8, 0.00302077/step, 0.457311 hours remaining, 209.902344 MB of memory in use. ENERGY: 4455000 764.5858 2112.4694 1926.9207 115.0341 -205700.4680 17683.5997 0.0000 0.0000 34282.5569 -148815.3013 299.3981 -183097.8583 -148716.4323 300.3683 -132.9444 -102.3836 559742.5499 1.0291 1.1343 PRESSURE: 4455200 -239.324 -176.912 -15.6081 -176.911 27.4389 19.787 -15.6073 19.7875 206.566 GPRESSURE: 4455200 -232.8 -196.239 4.74861 -170.08 59.1417 -36.1641 -48.5374 23.421 261.452 PRESSAVG: 4455200 -25.1511 -6.52271 -19.0465 -6.52266 -22.1384 -18.8965 -19.0465 -18.8964 15.4195 GPRESSAVG: 4455200 -26.4082 -7.86335 -16.7591 -6.69126 -22.004 -18.8445 -18.805 -18.4935 16.1523 TIMING: 4455200 CPU: 13387.4, 0.00302335/step Wall: 13387.4, 0.00302335/step, 0.457533 hours remaining, 209.902344 MB of memory in use. ENERGY: 4455200 753.3980 2068.7851 1960.5863 103.1246 -205460.1544 17653.8442 0.0000 0.0000 34082.8568 -148837.5594 297.6541 -182920.4161 -148742.2139 299.3786 -1.7732 29.2643 559844.9422 -10.6233 -10.7533 PRESSURE: 4455400 -138.137 85.3865 9.57556 85.3865 -64.2109 86.0605 9.57485 86.0603 -82.5828 GPRESSURE: 4455400 -109.655 39.8365 58.0421 84.5027 -27.425 46.7762 11.6491 92.8384 -45.7726 PRESSAVG: 4455400 11.0513 33.0914 -25.3873 33.0914 34.2542 -22.6608 -25.3873 -22.661 9.04171 GPRESSAVG: 4455400 10.5073 34.8666 -27.5149 32.8249 34.5156 -22.7748 -24.4875 -22.5275 9.58842 TIMING: 4455400 CPU: 13388, 0.00305104/step Wall: 13388, 0.00305104/step, 0.461554 hours remaining, 209.902344 MB of memory in use. ENERGY: 4455400 795.3269 2143.6367 1938.3553 113.4894 -205842.1267 17665.0026 0.0000 0.0000 34319.6119 -148866.7038 299.7217 -183186.3158 -148762.2705 299.6103 -94.9768 -60.9509 559231.7438 18.1157 18.2038 PRESSURE: 4455600 184.714 19.4803 -177.67 19.4813 -10.6269 19.8811 -177.67 19.8799 88.4474 GPRESSURE: 4455600 198.424 -13.0474 -155.425 -9.75163 12.7569 -11.4233 -155.285 49.8163 171.888 PRESSAVG: 4455600 -40.722 6.39122 22.373 6.39128 3.40855 6.87541 22.3729 6.87538 47.5256 GPRESSAVG: 4455600 -40.2192 5.43072 22.8961 7.30173 3.15072 8.59418 21.3873 4.25859 46.5992 TIMING: 4455600 CPU: 13388.6, 0.00305148/step Wall: 13388.6, 0.00305148/step, 0.461452 hours remaining, 209.902344 MB of memory in use. ENERGY: 4455600 717.7802 2132.9666 1945.6131 101.9310 -206047.2987 17879.2880 0.0000 0.0000 34478.0479 -148791.6719 301.1054 -183269.7198 -148684.6174 300.0242 87.5115 127.6896 558197.9270 3.4040 3.1769 PRESSURE: 4455800 -199.279 17.2474 36.7079 17.246 -137.832 -187.046 36.7086 -187.045 -186.183 GPRESSURE: 4455800 -240.409 59.3321 25.472 43.7292 -106.197 -241.511 86.9711 -145.26 -79.7728 PRESSAVG: 4455800 31.962 -2.43831 10.3983 -2.43839 -46.5616 -5.52269 10.3983 -5.52281 -6.62219 GPRESSAVG: 4455800 31.5057 -0.729295 11.2021 -3.50037 -46.1136 -4.42008 9.82104 -5.16278 -6.73547 TIMING: 4455800 CPU: 13389.2, 0.00302933/step Wall: 13389.2, 0.00302933/step, 0.457933 hours remaining, 209.902344 MB of memory in use. ENERGY: 4455800 750.7914 2096.8143 1967.4845 116.2061 -205756.3749 17541.3296 0.0000 0.0000 34263.3226 -149020.4264 299.2301 -183283.7490 -148927.3655 300.4478 -174.4310 -142.1261 559071.0989 -7.0739 -7.1145 PRESSURE: 4456000 -74.3288 97.3243 156.711 97.3249 -57.0459 -26.0323 156.711 -26.034 -174.257 GPRESSURE: 4456000 -64.1088 127.032 163.06 147.473 -45.729 11.3525 145.253 -23.9208 -87.1591 PRESSAVG: 4456000 8.52449 31.3026 -25.694 31.3026 -11.6662 -9.97434 -25.6939 -9.97424 -18.1658 GPRESSAVG: 4456000 10.4277 31.3019 -26.5272 31.2514 -13.3287 -9.86957 -24.3444 -8.92846 -19.0212 TIMING: 4456000 CPU: 13389.8, 0.00302528/step Wall: 13389.8, 0.00302528/step, 0.457154 hours remaining, 209.902344 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: 4456000 742.7154 2137.8809 1944.2023 108.3990 -206176.6195 17773.0697 0.0000 0.0000 34391.1378 -149079.2145 300.3464 -183470.3523 -148973.2482 299.8879 -101.8771 -65.6656 557993.9176 -7.1025 -7.3074 PRESSURE: 4456200 131.392 133.761 87.3933 133.76 -3.59837 124.971 87.394 124.971 30.9543 GPRESSURE: 4456200 143.204 101.051 42.7559 251.795 66.6992 194.249 130.145 25.9086 42.2896 PRESSAVG: 4456200 38.1605 12.1588 32.7692 12.1588 -4.9258 31.8753 32.7691 31.8754 -13.5366 GPRESSAVG: 4456200 37.4932 10.8057 32.688 13.1721 -3.52616 30.1932 32.3441 33.5138 -14.4923 TIMING: 4456200 CPU: 13390.4, 0.00303921/step Wall: 13390.4, 0.00303921/step, 0.45909 hours remaining, 209.902344 MB of memory in use. ENERGY: 4456200 700.1638 2108.5628 1950.9158 107.9853 -205916.5672 17727.4923 0.0000 0.0000 34431.7809 -148889.6663 300.7013 -183321.4472 -148790.0240 299.7790 52.9161 84.0643 557635.9065 6.5660 6.4916 LDB: ============= START OF LOAD BALANCING ============== 13393.9 LDB: ============== END OF LOAD BALANCING =============== 13393.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13393.9 LDB: ============= START OF LOAD BALANCING ============== 13394.2 LDB: Largest compute 4820 load 0.024715 is 20.9% of average load 0.118031 LDB: Average compute 0.001731 is 1.5% of average load 0.118031 LDB: TIME 13394.2 LOAD: AVG 0.118031 MAX 0.22351 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.871 MB LDB: TIME 13394.2 LOAD: AVG 0.118031 MAX 0.22351 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.871 MB LDB: TIME 13394.2 LOAD: AVG 0.118031 MAX 0.22351 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.871 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13394.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13394.2 PRESSURE: 4456400 -17.0766 91.5564 57.0401 91.5566 -17.8948 -132.923 57.0406 -132.921 -5.14142 GPRESSURE: 4456400 53.2804 22.9842 -3.36435 105.311 -14.3732 -97.0092 150.635 -110.316 9.08175 PRESSAVG: 4456400 68.3949 10.5486 -12.6966 10.5485 -57.7871 -0.268512 -12.6967 -0.268531 -37.6001 GPRESSAVG: 4456400 68.7062 9.87861 -12.1189 10.6141 -58.965 -0.710415 -12.5465 -2.08695 -37.307 TIMING: 4456400 CPU: 13391.1, 0.00311964/step Wall: 13391.1, 0.00311964/step, 0.471066 hours remaining, 206.929688 MB of memory in use. ENERGY: 4456400 703.9388 2139.0116 1945.9402 122.9903 -206068.6973 17692.5933 0.0000 0.0000 34454.5484 -149009.6746 300.9001 -183464.2230 -148913.5564 300.0378 -13.3709 15.9963 557171.1351 -8.9974 -9.1886 PRESSURE: 4456600 128.816 -149.973 -40.7055 -149.973 -143.173 3.44195 -40.7062 3.44216 120.546 GPRESSURE: 4456600 201.726 -152.781 -47.2723 -129.073 -65.8001 -11.6917 -55.3976 -49.7 67.5826 PRESSAVG: 4456600 -23.4067 28.248 -11.1255 28.248 2.86998 -10.1721 -11.1254 -10.172 20.0084 GPRESSAVG: 4456600 -22.8837 28.5955 -10.9222 28.9549 2.58042 -10.3879 -11.6364 -8.5857 20.4597 TIMING: 4456600 CPU: 13391.7, 0.00304805/step Wall: 13391.7, 0.00304805/step, 0.460087 hours remaining, 206.929688 MB of memory in use. ENERGY: 4456600 729.0460 2164.9789 1941.6594 126.1309 -206068.6100 17668.2314 0.0000 0.0000 34249.6060 -149188.9573 299.1103 -183438.5634 -149096.1845 299.1642 35.3962 67.8363 556682.0594 -0.1761 0.0521 PRESSURE: 4456800 -245.349 -118.272 -53.9596 -118.272 -179.966 31.3651 -53.9593 31.3639 -132.265 GPRESSURE: 4456800 -190.786 -168.285 -69.3871 -11.7384 -143.261 32.8238 -34.3483 62.4211 -123.766 PRESSAVG: 4456800 -57.7186 2.02241 -4.99395 2.02244 39.0692 -63.1079 -4.99401 -63.1081 40.2005 GPRESSAVG: 4456800 -57.3552 3.17459 -5.33857 1.83626 37.5523 -62.0507 -5.92129 -62.2619 41.7692 TIMING: 4456800 CPU: 13392.3, 0.00305276/step Wall: 13392.3, 0.00305276/step, 0.460628 hours remaining, 206.929688 MB of memory in use. ENERGY: 4456800 757.6232 2110.9659 1925.5941 114.2110 -205938.5676 17540.2093 0.0000 0.0000 34435.3485 -149054.6157 300.7325 -183489.9642 -148965.1635 299.7587 -185.8602 -152.6041 557489.3734 7.1837 7.3221 PRESSURE: 4457000 -19.3434 -66.8799 -26.7131 -66.8806 -288.313 -31.523 -26.7127 -31.5216 -65.8524 GPRESSURE: 4457000 -25.2894 -58.2494 -147.966 -104.928 -201.465 44.6375 -31.2511 -55.5339 -57.8798 PRESSAVG: 4457000 -3.81592 13.4775 -6.92846 13.4775 42.3241 9.16787 -6.92833 9.16797 -21.4974 GPRESSAVG: 4457000 -4.4424 13.0175 -6.0207 13.8413 44.2428 10.2926 -6.45992 8.40819 -23.1637 TIMING: 4457000 CPU: 13392.9, 0.00303726/step Wall: 13392.9, 0.00303726/step, 0.45812 hours remaining, 206.929688 MB of memory in use. ENERGY: 4457000 762.5660 2035.9722 1937.5730 130.7972 -205894.0887 17665.0663 0.0000 0.0000 34322.2835 -149039.8305 299.7450 -183362.1139 -148935.2323 300.1355 -124.5030 -94.8782 557615.0865 5.6703 5.5456 PRESSURE: 4457200 -77.3783 2.34059 30.9517 2.34166 -1.92813 -80.9401 30.9508 -80.9395 -245.452 GPRESSURE: 4457200 -79.7766 53.1462 40.9475 -37.7685 58.5697 -14.028 -55.0863 -97.2587 -204.328 PRESSAVG: 4457200 20.7172 -46.8591 10.501 -46.8591 18.8712 34.5211 10.501 34.5211 -4.26024 GPRESSAVG: 4457200 20.5348 -46.2787 10.5112 -47.1107 19.701 31.8746 8.87945 35.4079 -4.70613 TIMING: 4457200 CPU: 13393.5, 0.00306802/step Wall: 13393.5, 0.00306802/step, 0.462589 hours remaining, 206.929688 MB of memory in use. ENERGY: 4457200 726.9790 2072.5868 1957.8691 116.0450 -205737.9286 17523.8909 0.0000 0.0000 34235.9654 -149104.5924 298.9912 -183340.5577 -149008.1010 299.3369 -108.2529 -75.1782 557840.7879 11.7761 11.8432 PRESSURE: 4457400 -44.8501 41.7083 -95.9371 41.7085 -173.068 -154.458 -95.9369 -154.456 -225.07 GPRESSURE: 4457400 50.9517 84.7693 -137.627 66.3961 -150.997 -46.5103 -78.3582 -196.221 -245.948 PRESSAVG: 4457400 18.1936 -6.82247 31.4683 -6.82248 46.506 -21.6503 31.4683 -21.6502 -42.0803 GPRESSAVG: 4457400 18.8284 -5.0735 29.8934 -7.63181 45.6559 -20.6748 35.7635 -21.7457 -42.226 TIMING: 4457400 CPU: 13394.1, 0.00302128/step Wall: 13394.1, 0.00302128/step, 0.455374 hours remaining, 206.929688 MB of memory in use. ENERGY: 4457400 763.8111 2140.0679 1969.7716 106.9172 -206078.7392 17661.7589 0.0000 0.0000 34314.3689 -149122.0435 299.6759 -183436.4124 -149020.7221 299.3789 -147.6629 -115.3309 558686.1458 7.5398 7.4194 PRESSURE: 4457600 64.2417 -48.5706 14.9689 -48.57 55.5243 -12.0085 14.9686 -12.0082 18.836 GPRESSURE: 4457600 45.3928 -28.0321 68.8834 -27.1408 63.9656 37.0474 -9.25578 -23.6787 118.237 PRESSAVG: 4457600 8.78761 -0.251487 25.3523 -0.251507 53.8821 -57.4728 25.3523 -57.4728 -58.9167 GPRESSAVG: 4457600 8.66843 -1.54036 26.9076 0.561228 53.2666 -55.689 22.1489 -57.6501 -57.9238 TIMING: 4457600 CPU: 13394.7, 0.00304823/step Wall: 13394.7, 0.00304823/step, 0.459266 hours remaining, 206.929688 MB of memory in use. ENERGY: 4457600 751.0884 2108.7650 1949.9015 109.9943 -206164.7403 17942.9215 0.0000 0.0000 34268.1871 -149033.8825 299.2726 -183302.0696 -148940.8258 299.4979 46.2007 75.8651 559794.4519 1.2510 1.3371 PRESSURE: 4457800 -270.529 -45.9065 40.9585 -45.9065 -102.302 26.8759 40.9592 26.8767 -200.423 GPRESSURE: 4457800 -262.926 -9.45574 84.4581 -6.69092 -119.812 41.2233 20.0767 -33.1319 -96.1936 PRESSAVG: 4457800 -25.4139 -8.9216 32.0612 -8.92162 -31.0401 79.9487 32.0611 79.9488 49.0482 GPRESSAVG: 4457800 -26.0734 -8.31015 33.2326 -8.79222 -29.8302 77.9853 32.2588 80.1158 48.8291 TIMING: 4457800 CPU: 13395.3, 0.00306054/step Wall: 13395.3, 0.00306054/step, 0.460951 hours remaining, 206.929688 MB of memory in use. ENERGY: 4457800 769.9914 2045.9395 1958.1240 116.5454 -205927.4561 17506.5190 0.0000 0.0000 34334.6840 -149195.6528 299.8533 -183530.3368 -149096.4956 299.3281 -191.0849 -159.6438 558243.2797 -2.4686 -2.3582 PRESSURE: 4458000 -9.77169 -68.9379 62.5046 -68.9383 97.7121 -70.0696 62.506 -70.0693 -94.7333 GPRESSURE: 4458000 46.3544 -90.0906 52.2075 -89.4151 130.909 -51.0613 27.2235 -96.6234 -90.6317 PRESSAVG: 4458000 7.82015 -0.535025 12.999 -0.535009 -5.09785 -38.5183 12.9989 -38.5182 25.3801 GPRESSAVG: 4458000 8.24012 -2.72237 11.0632 -2.43398 -5.60618 -37.4469 13.6439 -39.9169 24.9145 TIMING: 4458000 CPU: 13395.9, 0.00310401/step Wall: 13395.9, 0.00310401/step, 0.467326 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: 4458000 786.0967 2099.1755 1984.1220 121.3061 -206466.1942 18046.0037 0.0000 0.0000 34195.1276 -149234.3626 298.6346 -183429.4901 -149143.4084 298.8089 -2.2643 28.8772 558597.6426 9.3675 9.1828 PRESSURE: 4458200 -128.211 -50.5358 -27.5361 -50.5363 -324.236 -27.4355 -27.5351 -27.435 -207.461 GPRESSURE: 4458200 -151.879 -24.6848 -61.7346 -80.5568 -262.833 -2.41243 -41.2611 10.9977 -142.019 PRESSAVG: 4458200 -32.0715 -22.5276 17.8614 -22.5275 -21.0871 -5.49446 17.8614 -5.49435 21.4486 GPRESSAVG: 4458200 -31.1929 -21.0039 18.9038 -20.9997 -20.4612 -7.14393 18.118 -3.12696 20.3261 TIMING: 4458200 CPU: 13396.6, 0.00306633/step Wall: 13396.6, 0.00306633/step, 0.461483 hours remaining, 206.929688 MB of memory in use. ENERGY: 4458200 784.1962 2070.1384 1994.2298 117.7844 -206119.3187 17623.3427 0.0000 0.0000 34235.1484 -149294.4788 298.9841 -183529.6272 -149193.6700 298.5343 -219.9692 -185.5768 558083.5419 -10.5700 -10.4427 PRESSURE: 4458400 -91.2832 26.181 -61.4839 26.1814 -188.563 -21.5545 -61.4852 -21.5535 -24.8214 GPRESSURE: 4458400 -110.502 27.7563 -99.1748 65.9068 -105.085 -34.9369 -13.9381 -25.3742 4.83755 PRESSAVG: 4458400 27.3785 -17.0627 4.95351 -17.0627 -29.8541 -5.25157 4.95352 -5.25144 -20.1447 GPRESSAVG: 4458400 26.9276 -18.407 3.53385 -18.3799 -30.1363 -4.54246 5.95439 -7.19233 -19.705 TIMING: 4458400 CPU: 13397.2, 0.0030511/step Wall: 13397.2, 0.0030511/step, 0.459021 hours remaining, 206.929688 MB of memory in use. ENERGY: 4458400 740.7926 2062.3326 1983.1008 115.5001 -205822.1474 17503.3586 0.0000 0.0000 34073.6292 -149343.4336 297.5735 -183417.0628 -149241.7445 299.1979 -101.5560 -70.2500 558944.1777 -7.5401 -7.6379 PRESSURE: 4458600 173.281 12.9678 158.545 12.9685 5.68532 -116.363 158.545 -116.362 235.833 GPRESSURE: 4458600 194.368 -23.8507 111.347 71.3518 49.6332 -70.5647 87.7765 -39.614 271.029 PRESSAVG: 4458600 -48.7725 24.8701 -64.8629 24.87 5.91859 -42.928 -64.8628 -42.9279 35.9904 GPRESSAVG: 4458600 -49.2885 24.2321 -64.906 26.9223 6.26998 -42.042 -66.5534 -43.0182 36.2217 TIMING: 4458600 CPU: 13397.8, 0.00306404/step Wall: 13397.8, 0.00306404/step, 0.460798 hours remaining, 206.929688 MB of memory in use. ENERGY: 4458600 777.4158 2101.4406 1999.9802 114.5430 -206517.1253 18104.8123 0.0000 0.0000 34108.1513 -149310.7820 297.8750 -183418.9333 -149222.2321 298.9819 138.2663 171.6768 556184.4636 -2.2878 -2.2656 PRESSURE: 4458800 -189.139 -65.9072 64.832 -65.9075 -129.119 310.027 64.8328 310.027 -111.404 GPRESSURE: 4458800 -146.915 -39.9144 14.2658 -101.994 -149.678 292.609 92.1283 353.769 -29.6725 PRESSAVG: 4458800 18.8311 -12.3249 -4.85506 -12.3249 -41.366 -19.7282 -4.85501 -19.7281 17.6688 GPRESSAVG: 4458800 20.0703 -10.1209 -6.85076 -15.1325 -41.4839 -20.6813 -3.85495 -17.8839 17.5117 TIMING: 4458800 CPU: 13398.4, 0.00310117/step Wall: 13398.4, 0.00310117/step, 0.46621 hours remaining, 206.929688 MB of memory in use. ENERGY: 4458800 769.0421 2128.3337 1962.4057 103.0616 -205934.2612 17508.7604 0.0000 0.0000 34167.1710 -149295.4868 298.3904 -183462.6578 -149196.2372 299.4714 -143.2208 -108.7554 557632.3961 -1.6221 -1.3006 PRESSURE: 4459000 128.962 67.3862 25.9889 67.3865 -18.2437 -119.21 25.9899 -119.21 -276.68 GPRESSURE: 4459000 163.104 73.5272 34.6251 161.398 -10.3014 -195.539 22.4038 -39.8348 -218.668 PRESSAVG: 4459000 57.0108 59.5587 -11.7039 59.5587 17.024 10.272 -11.704 10.272 -55.6309 GPRESSAVG: 4459000 56.0057 58.5718 -9.83864 60.3593 17.3453 12.7151 -11.38 7.96654 -54.8347 TIMING: 4459000 CPU: 13399, 0.00307887/step Wall: 13399, 0.00307887/step, 0.462686 hours remaining, 206.929688 MB of memory in use. ENERGY: 4459000 797.1004 2104.0136 1933.0282 97.5860 -206496.6661 18028.9516 0.0000 0.0000 34423.1195 -149112.8669 300.6257 -183535.9864 -149013.7861 299.1073 -55.3204 -21.9550 558167.3147 6.1346 6.1721 PRESSURE: 4459200 28.2438 148.46 17.3116 148.46 -131.305 159.029 17.3122 159.031 3.3408 GPRESSURE: 4459200 44.3174 147.658 14.7228 193.292 -62.8852 212.964 -45.4006 143.689 29.7627 PRESSAVG: 4459200 -17.038 3.57071 -14.685 3.57078 48.8209 25.0594 -14.685 25.0595 -48.5826 GPRESSAVG: 4459200 -17.4955 4.93479 -14.99 2.35608 49.7667 25.2656 -14.5661 24.0943 -49.4864 TIMING: 4459200 CPU: 13399.6, 0.00309235/step Wall: 13399.6, 0.00309235/step, 0.46454 hours remaining, 206.929688 MB of memory in use. ENERGY: 4459200 728.3842 2057.0795 1957.9926 128.6787 -206004.8241 17748.5403 0.0000 0.0000 34380.9101 -149003.2388 300.2570 -183384.1489 -148907.2732 299.3608 -33.2401 3.7316 559505.5302 -5.5999 -5.7384 PRESSURE: 4459400 217.677 -38.7502 34.0312 -38.751 -79.2007 -114.118 34.0323 -114.12 86.3944 GPRESSURE: 4459400 163.992 -9.84189 29.6153 -85.2571 14.086 -90.3315 51.212 -95.989 138.691 PRESSAVG: 4459400 15.4054 -0.971898 31.3434 -0.971949 28.0372 4.5874 31.3434 4.58737 -20.3689 GPRESSAVG: 4459400 15.6176 -2.73207 31.7146 1.08453 26.8083 4.68829 29.883 5.98146 -19.0373 TIMING: 4459400 CPU: 13400.2, 0.00306409/step Wall: 13400.2, 0.00306409/step, 0.460124 hours remaining, 206.929688 MB of memory in use. ENERGY: 4459400 713.8683 2121.6774 1961.9577 107.0696 -206315.4303 17912.2649 0.0000 0.0000 34253.7349 -149244.8575 299.1464 -183498.5924 -149151.7923 299.9482 74.9571 105.5894 557037.5445 7.6912 7.7962 PRESSURE: 4459600 -87.1946 -146.568 -116.992 -146.569 7.04163 71.4467 -116.991 71.447 67.342 GPRESSURE: 4459600 -6.60844 -173.975 -97.0813 -138.067 11.0762 -4.12334 -106.42 101.181 86.8007 PRESSAVG: 4459600 30.7837 -8.20413 -6.33135 -8.20413 -77.3086 7.82784 -6.33134 7.82795 -4.12413 GPRESSAVG: 4459600 32.0765 -7.35398 -5.79965 -8.05058 -76.1835 6.31111 -4.50217 8.26883 -6.49607 TIMING: 4459600 CPU: 13400.9, 0.00303931/step Wall: 13400.9, 0.00303931/step, 0.456234 hours remaining, 206.929688 MB of memory in use. ENERGY: 4459600 762.6049 2102.0204 1948.9496 99.4220 -206148.2965 17629.0870 0.0000 0.0000 34153.0569 -149453.1558 298.2671 -183606.2127 -149356.7993 298.5948 -4.2703 30.4228 556562.9947 -16.8830 -16.8677 PRESSURE: 4459800 183.296 194.05 86.8847 194.049 -291.428 -9.80116 86.8854 -9.80074 -164.675 GPRESSURE: 4459800 242.513 197.438 181.823 229.609 -264.246 -14.1258 63.6742 14.9987 -133.58 PRESSAVG: 4459800 103.969 -1.56037 -12.2503 -1.56043 -99.0414 1.37362 -12.2502 1.37353 25.9092 GPRESSAVG: 4459800 103.712 -1.50957 -9.1919 -0.805944 -100.318 1.28498 -14.3336 1.87 27.3752 TIMING: 4459800 CPU: 13401.5, 0.0030357/step Wall: 13401.5, 0.0030357/step, 0.455524 hours remaining, 206.929688 MB of memory in use. ENERGY: 4459800 756.7554 2121.6097 1948.4461 115.4725 -206091.8084 17627.0804 0.0000 0.0000 34212.9898 -149309.4544 298.7905 -183522.4442 -149209.9652 298.1847 -90.9357 -51.7712 557047.5461 10.2789 10.2565 PRESSURE: 4460000 -85.6934 -42.461 153.15 -42.4617 -243.545 111.396 153.151 111.397 -271.346 GPRESSURE: 4460000 -28.6067 -82.5687 17.8889 -67.3134 -274.899 96.1992 190.815 63.0174 -191 PRESSAVG: 4460000 2.5523 34.095 -2.03816 34.095 5.95657 16.7157 -2.03821 16.7157 56.5778 GPRESSAVG: 4460000 2.20568 33.3505 -5.39934 32.4084 7.07969 18.6159 -1.25981 14.891 55.7308 TIMING: 4460000 CPU: 13402.1, 0.00304422/step Wall: 13402.1, 0.00304422/step, 0.456633 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: 4460000 760.6012 2016.8341 1952.0258 106.3927 -206093.4236 17659.0953 0.0000 0.0000 34296.0911 -149302.3834 299.5163 -183598.4744 -149199.6737 298.8681 -200.1948 -164.8352 557827.6994 21.6956 21.6721 PRESSURE: 4460200 -236.728 191.439 -68.9079 191.439 -450.061 0.405017 -68.9084 0.40415 -139.668 GPRESSURE: 4460200 -229.844 186.793 -30.1442 248.378 -388.078 -58.7662 -58.8854 68.634 -114.805 PRESSAVG: 4460200 23.4176 -14.4757 45.3717 -14.4756 -78.4262 -48.3709 45.3717 -48.3708 13.1984 GPRESSAVG: 4460200 24.333 -14.0127 46.535 -15.2895 -79.8826 -50.3173 46.1995 -46.5022 13.7533 TIMING: 4460200 CPU: 13402.7, 0.00303564/step Wall: 13402.7, 0.00303564/step, 0.455177 hours remaining, 206.929688 MB of memory in use. ENERGY: 4460200 751.9149 2058.6691 1927.6306 104.1423 -205856.4351 17378.1054 0.0000 0.0000 34167.0632 -149468.9097 298.3895 -183635.9729 -149364.6185 298.4527 -275.4859 -244.2425 558708.4923 -13.9367 -13.9321 LDB: ============= START OF LOAD BALANCING ============== 13406.1 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13406.1 LDB: =============== DONE WITH MIGRATION ================ 13406.1 LDB: ============= START OF LOAD BALANCING ============== 13406.4 LDB: Largest compute 4819 load 0.023435 is 19.8% of average load 0.118096 LDB: Average compute 0.001738 is 1.5% of average load 0.118096 LDB: TIME 13406.4 LOAD: AVG 0.118096 MAX 0.216208 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.953 MB LDB: TIME 13406.4 LOAD: AVG 0.118096 MAX 0.216208 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.016 MB LDB: TIME 13406.4 LOAD: AVG 0.118096 MAX 0.216208 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.016 MB LDB: ============== END OF LOAD BALANCING =============== 13406.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13406.4 PRESSURE: 4460400 -165.733 67.0159 -67.7678 67.0163 -54.6146 65.6296 -67.7677 65.63 -47.3014 GPRESSURE: 4460400 -125.605 103.132 -83.5931 53.6762 -39.7938 95.6835 -32.2866 54.658 -10.417 PRESSAVG: 4460400 -17.1408 -4.18822 32.5753 -4.18823 -72.6999 5.85276 32.5754 5.8527 79.4382 GPRESSAVG: 4460400 -18.1153 -5.17001 32.8078 -4.01283 -73.3109 7.22025 33.2596 4.31404 80.8422 TIMING: 4460400 CPU: 13403.3, 0.00310292/step Wall: 13403.3, 0.00310292/step, 0.465093 hours remaining, 206.175781 MB of memory in use. ENERGY: 4460400 690.1592 2132.8627 1927.7813 124.1202 -205876.1620 17490.8426 0.0000 0.0000 34158.8460 -149351.5500 298.3177 -183510.3960 -149256.4224 298.5270 -89.2165 -58.6052 558109.3722 -3.4675 -3.5280 PRESSURE: 4460600 234.229 73.9154 122.496 73.9148 19.5583 113.124 122.496 113.123 41.1648 GPRESSURE: 4460600 293.493 -16.7146 92.2836 100.647 41.0357 115.085 175.76 62.8985 42.7516 PRESSAVG: 4460600 37.4403 33.7071 10.3248 33.7071 -68.3626 4.86668 10.3249 4.86669 20.4341 GPRESSAVG: 4460600 36.8929 36.4087 9.1323 31.4663 -66.0506 4.6582 11.1229 6.32395 18.4352 TIMING: 4460600 CPU: 13403.9, 0.00303245/step Wall: 13403.9, 0.00303245/step, 0.454362 hours remaining, 206.175781 MB of memory in use. ENERGY: 4460600 709.8595 2060.5486 1938.5957 104.6608 -206466.8585 17858.5441 0.0000 0.0000 34472.4757 -149322.1742 301.0567 -183794.6498 -149217.9047 299.6096 98.3172 125.7601 556027.0262 -3.4961 -3.5742 PRESSURE: 4460800 178.382 85.4275 -113.674 85.4278 155.274 -46.4779 -113.673 -46.4764 -10.0023 GPRESSURE: 4460800 225.072 93.8918 -43.7264 45.8406 186.592 -74.0974 -162.827 -124.863 18.7682 PRESSAVG: 4460800 8.49177 -22.8473 4.336 -22.8473 21.3997 6.28041 4.33596 6.28029 12.3023 GPRESSAVG: 4460800 8.15829 -23.9567 3.41895 -21.44 20.3819 5.10959 3.52493 7.13519 13.5215 TIMING: 4460800 CPU: 13404.5, 0.00300124/step Wall: 13404.5, 0.00300124/step, 0.44952 hours remaining, 206.175781 MB of memory in use. ENERGY: 4460800 725.0862 2119.7031 1946.2565 118.1740 -206010.9906 17778.9706 0.0000 0.0000 34218.8231 -149103.9771 298.8415 -183322.8002 -149006.4536 299.7424 107.8846 143.4775 557836.0659 14.0646 14.0206 PRESSURE: 4461000 -54.7925 46.8299 -178.546 46.8308 -144.273 -41.0802 -178.546 -41.082 -119.885 GPRESSURE: 4461000 -29.8953 100.409 -143.375 -98.3269 -81.9125 -16.5432 -194.588 -49.2302 -108.733 PRESSAVG: 4461000 -13.8184 -41.5812 -40.7768 -41.5812 45.7447 2.54796 -40.7768 2.5481 29.5978 GPRESSAVG: 4461000 -14.0818 -42.1242 -39.1478 -41.6164 46.3337 3.88778 -38.9251 -0.059422 29.3254 TIMING: 4461000 CPU: 13405.1, 0.00303462/step Wall: 13405.1, 0.00303462/step, 0.45435 hours remaining, 206.175781 MB of memory in use. ENERGY: 4461000 762.7064 2088.5002 1954.8211 129.0043 -205875.7676 17600.6308 0.0000 0.0000 34172.1755 -149167.9293 298.4341 -183340.1048 -149076.1386 299.5403 -106.3171 -73.5137 556414.6684 20.5080 20.5257 PRESSURE: 4461200 -395.032 -75.3715 12.1631 -75.3717 -166.908 -139.151 12.1634 -139.15 -99.0487 GPRESSURE: 4461200 -395.254 -102.479 -9.50342 -117.462 -120.855 -216.202 29.3452 -87.4981 -35.71 PRESSAVG: 4461200 -9.61897 -26.3204 13.0157 -26.3205 -50.8691 18.1059 13.0156 18.1059 41.9903 GPRESSAVG: 4461200 -8.20782 -27.1827 11.139 -25.644 -51.0125 19.6342 10.8724 18.1962 41.14 TIMING: 4461200 CPU: 13405.7, 0.00304169/step Wall: 13405.7, 0.00304169/step, 0.45524 hours remaining, 206.175781 MB of memory in use. ENERGY: 4461200 774.6664 2114.9702 1942.8592 121.7841 -206013.0429 17565.0526 0.0000 0.0000 34134.8433 -149358.8672 298.1081 -183493.7104 -149265.5730 298.9821 -220.3295 -183.9398 557399.7323 -6.1659 -6.0268 PRESSURE: 4461400 -113.885 -205.881 76.9172 -205.88 -289.985 84.0509 76.9173 84.0499 -144.431 GPRESSURE: 4461400 -45.9383 -243.593 84.5828 -124.523 -335.527 132.364 127.911 76.7457 -69.3499 PRESSAVG: 4461400 45.5211 -5.53756 10.4421 -5.53755 -29.316 -32.6884 10.442 -32.6886 18.1864 GPRESSAVG: 4461400 44.8004 -4.87715 9.93069 -5.6116 -29.6311 -33.2956 12.7277 -30.299 19.1679 TIMING: 4461400 CPU: 13406.3, 0.00303969/step Wall: 13406.3, 0.00303969/step, 0.454771 hours remaining, 206.175781 MB of memory in use. ENERGY: 4461400 757.5979 2034.9965 1937.0117 126.7741 -206098.3990 17595.0785 0.0000 0.0000 34313.7045 -149333.2359 299.6701 -183646.9404 -149232.2806 299.2010 -182.7670 -150.2716 557693.0534 11.4638 11.4457 PRESSURE: 4461600 54.0253 -100.838 -47.345 -100.838 61.9551 -215.229 -47.3458 -215.229 61.008 GPRESSURE: 4461600 11.6619 -81.2794 -210.037 -44.003 131.889 -158.12 -1.91573 -187.482 125.473 PRESSAVG: 4461600 -40.2757 33.8964 16.441 33.8964 -52.3467 5.06075 16.441 5.06084 110.622 GPRESSAVG: 4461600 -40.362 34.5078 16.0338 33.6827 -51.8281 2.91832 15.8438 4.11882 110.296 TIMING: 4461600 CPU: 13406.9, 0.00301207/step Wall: 13406.9, 0.00301207/step, 0.450471 hours remaining, 206.175781 MB of memory in use. ENERGY: 4461600 787.5393 2108.2839 1939.3432 103.4511 -206752.0996 18117.3018 0.0000 0.0000 34240.7492 -149455.4310 299.0330 -183696.1803 -149359.6155 298.6401 58.9961 89.6745 556661.0181 5.9997 6.0353 PRESSURE: 4461800 162.619 -44.0979 134.966 -44.0987 -33.4199 10.5482 134.967 10.5484 -12.343 GPRESSURE: 4461800 199.63 54.4471 131.991 -87.3854 -29.8972 38.7503 217.812 -44.0318 45.4183 PRESSAVG: 4461800 6.8088 18.8246 10.0248 18.8245 -15.0898 -72.9823 10.0248 -72.9824 52.7823 GPRESSAVG: 4461800 7.68806 19.9652 12.9288 17.2937 -15.952 -70.4682 8.24235 -73.4038 53.1406 TIMING: 4461800 CPU: 13407.5, 0.00299795/step Wall: 13407.5, 0.00299795/step, 0.448193 hours remaining, 206.175781 MB of memory in use. ENERGY: 4461800 712.4645 2106.3491 1934.1494 115.2956 -206390.3403 17831.5568 0.0000 0.0000 34219.0780 -149471.4469 298.8437 -183690.5249 -149376.4323 298.6834 38.9520 71.7169 555698.4273 14.8338 14.9589 PRESSURE: 4462000 103.866 -14.1586 -22.5191 -14.1593 175.994 -36.5458 -22.5197 -36.5447 56.3106 GPRESSURE: 4462000 172.311 -3.12675 -24.4673 -60.0998 226 -164.724 -23.105 48.3363 42.0743 PRESSAVG: 4462000 50.0289 6.19437 -19.0586 6.19423 10.4658 -16.5157 -19.0586 -16.5156 -13.4305 GPRESSAVG: 4462000 49.2078 3.84418 -17.6749 8.53223 10.1771 -19.5333 -18.6135 -14.8708 -12.7772 TIMING: 4462000 CPU: 13408.1, 0.002994/step Wall: 13408.1, 0.002994/step, 0.447437 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: 4462000 706.9387 2105.8194 1946.5759 110.9266 -206241.7894 17781.6611 0.0000 0.0000 34115.2455 -149474.6223 297.9369 -183589.8677 -149380.2425 298.7564 112.0569 146.7952 555443.9838 15.6881 15.5359 PRESSURE: 4462200 286.245 24.2254 -24.2239 24.2258 -10.751 155.094 -24.2232 155.093 -90.4555 GPRESSURE: 4462200 309.665 -57.2834 -96.5528 73.2803 36.4327 102.407 7.4762 116.778 -51.0156 PRESSAVG: 4462200 70.1854 46.0764 -3.9597 46.0764 7.71497 -32.0138 -3.95974 -32.0138 -30.1977 GPRESSAVG: 4462200 69.6375 46.1462 -6.6998 45.5328 8.7018 -34.5191 -3.97188 -31.7883 -30.4857 TIMING: 4462200 CPU: 13408.7, 0.00300484/step Wall: 13408.7, 0.00300484/step, 0.44889 hours remaining, 206.175781 MB of memory in use. ENERGY: 4462200 792.2088 2052.0169 1927.8200 115.2604 -206479.4392 18054.6157 0.0000 0.0000 33979.2302 -149558.2872 296.7491 -183537.5174 -149463.8451 298.3402 61.6794 98.3607 555755.5963 15.9009 15.9512 PRESSURE: 4462400 -41.2498 106.908 83.5089 106.908 -29.0172 25.0985 83.5081 25.0966 -254.759 GPRESSURE: 4462400 11.5579 50.2688 78.2431 167.77 -42.0121 81.7952 54.1908 131.975 -202.202 PRESSAVG: 4462400 21.355 13.8666 -45.3822 13.8665 -35.0034 63.2243 -45.3821 63.2243 -10.4712 GPRESSAVG: 4462400 23.5941 12.6227 -44.947 14.6895 -35.769 65.199 -44.8788 63.4034 -12.0771 TIMING: 4462400 CPU: 13409.3, 0.00301596/step Wall: 13409.3, 0.00301596/step, 0.450384 hours remaining, 206.175781 MB of memory in use. ENERGY: 4462400 762.3924 2030.6416 1966.7188 110.9268 -206257.5378 17603.6997 0.0000 0.0000 34243.9605 -149539.1980 299.0610 -183783.1585 -149447.9781 297.5242 -108.3419 -77.5521 556919.3396 -8.0398 -8.0840 PRESSURE: 4462600 50.8924 121.444 -142.008 121.444 2.21306 6.50716 -142.008 6.50724 186.266 GPRESSURE: 4462600 60.0881 42.0113 -79.4169 130.487 6.33405 -51.8635 -38.1261 31.2214 258.916 PRESSAVG: 4462600 43.4657 -7.46492 -38.8196 -7.46489 -38.4845 -42.3929 -38.8197 -42.3927 -30.2403 GPRESSAVG: 4462600 43.301 -6.4103 -36.3502 -9.06581 -38.9886 -41.0488 -39.4462 -42.9343 -29.6493 TIMING: 4462600 CPU: 13409.9, 0.00302029/step Wall: 13409.9, 0.00302029/step, 0.450863 hours remaining, 206.175781 MB of memory in use. ENERGY: 4462600 726.8268 2042.3469 1956.8317 123.5291 -206655.7074 17931.5397 0.0000 0.0000 34307.5113 -149567.1219 299.6160 -183874.6332 -149471.6609 297.8420 79.7906 108.4461 556013.4520 -8.4197 -8.4456 PRESSURE: 4462800 -6.51383 107.026 -59.9519 107.026 -252.558 50.5431 -59.9522 50.5438 -3.96192 GPRESSURE: 4462800 25.5106 63.3089 -92.1621 178.468 -244.98 57.0106 -109.421 111.189 49.1582 PRESSAVG: 4462800 10.6763 36.9106 -53.8357 36.9106 -13.5239 -85.5025 -53.8358 -85.5025 29.329 GPRESSAVG: 4462800 10.5607 36.4189 -55.0534 39.9111 -12.8043 -85.1382 -55.2482 -85.0589 28.528 TIMING: 4462800 CPU: 13410.5, 0.00301047/step Wall: 13410.5, 0.00301047/step, 0.44923 hours remaining, 206.175781 MB of memory in use. ENERGY: 4462800 742.2450 2089.1300 1940.9545 103.9839 -206272.0228 17636.5910 0.0000 0.0000 34161.5169 -149597.6014 298.3410 -183759.1184 -149497.1601 297.4892 -87.6778 -56.7703 556994.2868 8.8271 8.7615 PRESSURE: 4463000 -212.775 16.6174 10.3834 16.6182 15.1074 105.805 10.3821 105.803 44.5217 GPRESSURE: 4463000 -145.399 -2.55156 -26.3031 -9.34463 2.21238 99.1005 24.2458 37.6746 84.158 PRESSAVG: 4463000 2.04876 -2.79245 47.0443 -2.79248 -1.05188 8.45108 47.0443 8.45097 2.31061 GPRESSAVG: 4463000 2.37854 -2.68374 46.5604 -3.48302 -2.34052 9.02142 48.5807 7.76619 3.38627 TIMING: 4463000 CPU: 13411.1, 0.00301416/step Wall: 13411.1, 0.00301416/step, 0.449612 hours remaining, 206.175781 MB of memory in use. ENERGY: 4463000 724.9241 2095.0123 1942.9320 109.5738 -206328.5615 17811.1052 0.0000 0.0000 34076.5778 -149568.4364 297.5992 -183645.0142 -149467.4620 297.9694 -51.0487 -19.6762 557122.6664 1.1025 1.1414 PRESSURE: 4463200 -21.3218 -33.3159 -65.5483 -33.3153 -313.788 64.209 -65.5472 64.2073 -91.7544 GPRESSURE: 4463200 -65.021 -75.7488 -102.559 42.764 -233.95 116.52 -2.52449 -38.8019 -19.2011 PRESSAVG: 4463200 35.6681 15.975 -38.3955 15.9751 -29.5442 30.1253 -38.3954 30.1255 -15.807 GPRESSAVG: 4463200 34.304 16.2377 -38.1894 15.162 -27.2083 30.6378 -38.8128 28.1456 -16.9203 TIMING: 4463200 CPU: 13411.7, 0.00303598/step Wall: 13411.7, 0.00303598/step, 0.452698 hours remaining, 206.175781 MB of memory in use. ENERGY: 4463200 722.2319 2051.7926 1928.7882 111.6437 -206207.0854 17625.9876 0.0000 0.0000 34211.7320 -149554.9095 298.7796 -183766.6415 -149459.1964 297.9339 -142.2882 -106.0575 556984.5579 -3.2277 -3.2748 PRESSURE: 4463400 -98.8636 -8.7312 33.8125 -8.73104 -75.9509 109.686 33.8103 109.686 250.328 GPRESSURE: 4463400 -130.128 53.6402 -13.4713 -82.8982 -14.302 52.3771 -26.4559 105.9 324.508 PRESSAVG: 4463400 44.4513 12.9268 -55.2674 12.9267 -46.4074 30.4549 -55.2673 30.455 4.84368 GPRESSAVG: 4463400 44.1512 14.5363 -57.5123 12.8984 -47.7473 29.9465 -54.8097 32.5798 6.00453 TIMING: 4463400 CPU: 13412.4, 0.00303535/step Wall: 13412.4, 0.00303535/step, 0.452436 hours remaining, 206.175781 MB of memory in use. ENERGY: 4463400 725.0532 2104.4519 1951.9065 103.9219 -206417.4982 17782.7058 0.0000 0.0000 34036.5857 -149712.8731 297.2500 -183749.4588 -149625.0365 297.6455 25.1710 60.0260 555725.5729 0.9625 0.8028 PRESSURE: 4463600 -22.4354 -241.234 16.4318 -241.234 -171.367 -15.3311 16.4318 -15.331 1.34229 GPRESSURE: 4463600 20.0513 -256.578 24.6855 -159.788 -118.522 -74.9285 -28.706 -45.8635 19.7099 PRESSAVG: 4463600 -17.6184 35.6436 -30.1656 35.6437 -29.7974 -15.6195 -30.1656 -15.6196 70.2828 GPRESSAVG: 4463600 -16.794 33.9749 -29.1417 38.3525 -29.672 -15.2874 -28.9168 -15.1313 68.6368 TIMING: 4463600 CPU: 13413, 0.00302421/step Wall: 13413, 0.00302421/step, 0.450607 hours remaining, 206.175781 MB of memory in use. ENERGY: 4463600 768.4314 2095.2160 1960.5300 102.7918 -206276.0745 17686.2836 0.0000 0.0000 33990.5468 -149672.2750 296.8479 -183662.8218 -149573.8685 297.4515 -64.1534 -26.2537 555559.4338 7.6223 7.3903 PRESSURE: 4463800 69.2398 181.204 -94.0579 181.206 -91.2627 -9.59058 -94.0586 -9.5899 251.175 GPRESSURE: 4463800 55.4463 161.806 -46.17 199.055 -57.8654 -49.5081 -171.064 -6.70933 325.787 PRESSAVG: 4463800 -10.3618 15.9747 4.48726 15.9745 -16.4679 21.9042 4.48731 21.9043 -13.2245 GPRESSAVG: 4463800 -10.9691 17.2253 4.35405 12.7808 -16.4241 20.2525 2.8151 20.2884 -12.7616 TIMING: 4463800 CPU: 13413.6, 0.00304961/step Wall: 13413.6, 0.00304961/step, 0.454222 hours remaining, 206.175781 MB of memory in use. ENERGY: 4463800 761.0112 2071.7961 1936.5258 99.4626 -206310.2687 17836.1211 0.0000 0.0000 33996.2818 -149609.0701 296.8980 -183605.3519 -149508.9053 297.8824 76.3839 107.7894 555949.7656 -13.3514 -13.3849 PRESSURE: 4464000 -75.8719 30.2157 223.51 30.2172 -210.504 79.2835 223.509 79.2823 -49.8209 GPRESSURE: 4464000 -73.9001 34.398 200.933 8.5404 -197.939 155.189 178.038 -35.1827 17.6704 PRESSAVG: 4464000 6.04197 -16.6965 7.56 -16.6965 -34.9419 -46.5861 7.56001 -46.586 26.8046 GPRESSAVG: 4464000 5.63018 -16.4334 6.60833 -15.9602 -35.3743 -45.1071 8.81955 -46.7609 27.1554 TIMING: 4464000 CPU: 13414.2, 0.00304188/step Wall: 13414.2, 0.00304188/step, 0.452902 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: 4464000 757.8034 2111.8141 1937.7176 110.5585 -206276.4291 17839.1058 0.0000 0.0000 34111.6875 -149407.7422 297.9059 -183519.4297 -149310.1398 298.2199 -112.0657 -84.7229 558723.9691 -0.6984 -0.8629 PRESSURE: 4464200 -148.581 -131.125 -121.369 -131.126 -100.816 70.1143 -121.369 70.1165 -174.255 GPRESSURE: 4464200 -112.939 -39.8883 -161.794 -100.863 -81.9078 109.719 -87.3761 0.705091 -119.106 PRESSAVG: 4464200 -0.217919 2.78634 -5.36115 2.78625 61.4015 -14.3333 -5.36118 -14.3332 27.2053 GPRESSAVG: 4464200 -1.04609 1.8302 -4.31086 2.53915 62.5928 -14.8486 -3.19116 -13.7081 26.6876 TIMING: 4464200 CPU: 13414.8, 0.003027/step Wall: 13414.8, 0.003027/step, 0.450519 hours remaining, 206.175781 MB of memory in use. ENERGY: 4464200 743.4897 2071.7877 1940.5026 113.2308 -206040.0206 17669.1623 0.0000 0.0000 34277.9254 -149223.9222 299.3576 -183501.8476 -149121.7453 299.1225 -141.2175 -104.6507 558320.9801 29.4630 29.4114 LDB: ============= START OF LOAD BALANCING ============== 13418.2 LDB: ============== END OF LOAD BALANCING =============== 13418.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13418.2 LDB: ============= START OF LOAD BALANCING ============== 13418.5 LDB: Largest compute 4820 load 0.023249 is 19.7% of average load 0.118022 LDB: Average compute 0.001731 is 1.5% of average load 0.118022 LDB: TIME 13418.5 LOAD: AVG 0.118022 MAX 0.222299 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.234 MB LDB: TIME 13418.5 LOAD: AVG 0.118022 MAX 0.222299 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.238 MB LDB: TIME 13418.5 LOAD: AVG 0.118022 MAX 0.222299 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.238 MB LDB: ============== END OF LOAD BALANCING =============== 13418.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13418.5 PRESSURE: 4464400 -79.2702 -36.5311 -29.9412 -36.5306 23.6159 -47.5859 -29.9413 -47.5857 -176.513 GPRESSURE: 4464400 -55.9401 -81.451 -67.8276 -76.4934 9.31472 -7.29183 -67.1808 -27.0132 -86.3116 PRESSAVG: 4464400 0.131967 -11.6139 2.42492 -11.6138 -25.5955 -79.4345 2.42486 -79.4345 -5.26896 GPRESSAVG: 4464400 1.92382 -13.1534 0.867529 -11.5962 -27.2677 -76.6182 2.88508 -80.4045 -5.45278 TIMING: 4464400 CPU: 13415.4, 0.00312342/step Wall: 13415.4, 0.00312342/step, 0.464696 hours remaining, 208.667969 MB of memory in use. ENERGY: 4464400 710.4353 2089.2240 1953.8436 112.4029 -206424.4339 17774.5317 0.0000 0.0000 34443.5902 -149340.4064 300.8044 -183783.9966 -149239.0938 298.4847 -77.3890 -44.3123 557518.2154 -10.2442 -10.2656 PRESSURE: 4464600 -112.722 -63.2471 -135.809 -63.2467 -26.6687 170.514 -135.808 170.515 -309.165 GPRESSURE: 4464600 -102.01 -9.15898 -101.787 -136.179 -14.6161 208.439 -175.349 110.411 -245.467 PRESSAVG: 4464600 -26.5348 -20.3384 -5.34667 -20.3384 81.1392 23.6199 -5.34666 23.6199 -6.36282 GPRESSAVG: 4464600 -26.7886 -18.3048 -3.11702 -19.6486 80.9699 22.729 -8.75958 23.3697 -6.48693 TIMING: 4464600 CPU: 13416, 0.0030661/step Wall: 13416, 0.0030661/step, 0.455997 hours remaining, 208.871094 MB of memory in use. ENERGY: 4464600 769.3174 2071.3606 1919.7236 99.1079 -206078.5864 17675.9538 0.0000 0.0000 34165.9160 -149377.2072 298.3794 -183543.1232 -149283.3539 299.0161 -149.5183 -120.6978 558458.1852 16.0805 15.8981 PRESSURE: 4464800 222.399 30.782 -52.9228 30.7816 143.946 -100.314 -52.9219 -100.314 -36.2699 GPRESSURE: 4464800 222.768 32.2721 -62.4477 4.76329 150.973 -137.299 -72.4466 -43.9489 44.8873 PRESSAVG: 4464800 -30.7535 23.7893 -42.1796 23.7893 7.71728 -31.4261 -42.1798 -31.4261 31.6489 GPRESSAVG: 4464800 -30.4325 26.7899 -40.8537 21.8839 7.14898 -33.1116 -42.0489 -28.301 32.2901 TIMING: 4464800 CPU: 13416.6, 0.00303558/step Wall: 13416.6, 0.00303558/step, 0.451289 hours remaining, 208.871094 MB of memory in use. ENERGY: 4464800 714.0557 2107.1266 1960.1200 114.5681 -206504.6575 18065.2369 0.0000 0.0000 34170.0747 -149373.4756 298.4158 -183543.5502 -149279.9791 299.0292 110.0251 139.5425 557317.3022 2.8709 3.0022 PRESSURE: 4465000 230.164 -166.465 -122.944 -166.465 72.2396 -62.8317 -122.943 -62.8302 -43.2825 GPRESSURE: 4465000 302.091 -157.477 -100.518 -218.855 92.2384 -113.822 -72.8128 -12.1585 -29.3616 PRESSAVG: 4465000 43.6751 -21.8231 -0.497002 -21.823 13.9828 -18.1205 -0.49713 -18.1203 -37.2724 GPRESSAVG: 4465000 44.316 -24.4764 -2.39916 -20.3239 13.6848 -18.0586 -0.578463 -19.5454 -37.6813 TIMING: 4465000 CPU: 13417.2, 0.00302888/step Wall: 13417.2, 0.00302888/step, 0.450126 hours remaining, 208.871094 MB of memory in use. ENERGY: 4465000 712.0819 2087.4048 1951.7042 114.7037 -206682.3628 18116.3008 0.0000 0.0000 34295.7463 -149404.4212 299.5133 -183700.1675 -149310.7362 298.9853 86.3739 121.6558 556221.0991 6.7951 6.7732 PRESSURE: 4465200 20.7291 -113.419 105.405 -113.42 93.7796 88.3327 105.406 88.3312 229.314 GPRESSURE: 4465200 68.1051 -119.021 148.383 -80.4586 125.255 114.728 43.1085 1.54281 254.095 PRESSAVG: 4465200 -25.0541 -36.1678 -52.3636 -36.1678 -0.372165 19.4757 -52.3636 19.4758 22.3163 GPRESSAVG: 4465200 -24.9821 -37.0404 -53.1549 -35.8377 0.771385 20.9528 -51.7124 19.4521 21.67 TIMING: 4465200 CPU: 13417.8, 0.00302849/step Wall: 13417.8, 0.00302849/step, 0.4499 hours remaining, 208.871094 MB of memory in use. ENERGY: 4465200 747.5128 2094.1867 1949.0425 111.8312 -206556.3521 18073.5582 0.0000 0.0000 34205.0122 -149375.2085 298.7209 -183580.2207 -149269.8695 298.4610 114.6075 149.1518 556521.1602 -1.0366 -0.8469 PRESSURE: 4465400 78.8041 -155.542 -57.7077 -155.542 314.493 32.8621 -57.7083 32.8609 341.44 GPRESSURE: 4465400 85.5878 -137.91 -57.1589 -139.755 369.415 78.6024 -53.37 39.0191 370.259 PRESSAVG: 4465400 -67.5643 -53.4037 23.9331 -53.4037 66.2367 51.2099 23.9331 51.2099 1.2121 GPRESSAVG: 4465400 -68.4432 -53.7772 23.5411 -53.0465 66.1277 51.1593 23.7218 51.1639 3.05545 TIMING: 4465400 CPU: 13418.4, 0.003025/step Wall: 13418.4, 0.003025/step, 0.449212 hours remaining, 209.167969 MB of memory in use. ENERGY: 4465400 737.1375 2097.7792 1919.8616 125.5011 -206757.7028 18098.1675 0.0000 0.0000 34316.5524 -149462.7036 299.6950 -183779.2560 -149356.5662 299.0519 244.9122 275.0874 556284.0277 -0.0385 0.2466 PRESSURE: 4465600 -44.8779 -92.2761 -112.271 -92.2767 -172.853 -95.4108 -112.272 -95.4106 -425.74 GPRESSURE: 4465600 11.4284 -101.887 9.33933 42.5891 -203.813 -69.7399 -156.798 -59.8796 -336.959 PRESSAVG: 4465600 -23.284 -33.6146 -9.6025 -33.6146 33.634 40.0084 -9.60246 40.0084 4.34891 GPRESSAVG: 4465600 -21.8348 -31.4382 -7.01241 -34.306 33.3963 40.5524 -8.42552 38.6382 2.99575 TIMING: 4465600 CPU: 13419.1, 0.00303198/step Wall: 13419.1, 0.00303198/step, 0.450081 hours remaining, 209.167969 MB of memory in use. ENERGY: 4465600 752.2388 2090.8931 1924.8776 108.0668 -206101.4476 17510.2418 0.0000 0.0000 34156.5557 -149558.5739 298.2977 -183715.1296 -149464.5710 298.5233 -214.4904 -176.4478 557061.9607 4.8997 4.8524 PRESSURE: 4465800 118.871 55.5142 -85.206 55.5141 153.91 2.77353 -85.2057 2.77251 181.375 GPRESSURE: 4465800 153.499 88.2997 -35.1091 54.2683 242.415 -41.0398 -79.6866 -24.0223 147.805 PRESSAVG: 4465800 -19.2956 33.6639 -26.191 33.6639 34.666 22.2536 -26.191 22.2535 34.1894 GPRESSAVG: 4465800 -21.1439 34.16 -26.0271 34.5628 35.8744 20.0108 -26.0022 26.5049 34.112 TIMING: 4465800 CPU: 13419.7, 0.00301602/step Wall: 13419.7, 0.00301602/step, 0.447544 hours remaining, 209.167969 MB of memory in use. ENERGY: 4465800 740.9763 2152.8529 1948.4867 117.7419 -206674.5414 18099.7737 0.0000 0.0000 34074.4107 -149540.2992 297.5803 -183614.7099 -149449.8662 298.6696 151.3851 181.2398 556344.5590 16.5199 16.2808 PRESSURE: 4466000 215.522 -39.6332 -95.2683 -39.6319 -138.3 -196.372 -95.2672 -196.373 -31.7527 GPRESSURE: 4466000 212.197 -77.5319 -73.2277 0.97488 -71.1566 -144.502 -160.299 -205.748 -3.62554 PRESSAVG: 4466000 35.562 -1.40173 1.30156 -1.40173 -6.27834 -24.5288 1.30152 -24.5288 -23.9247 GPRESSAVG: 4466000 35.5956 -2.61915 -0.509763 -0.512925 -5.81271 -23.114 0.394295 -26.8918 -23.8235 TIMING: 4466000 CPU: 13420.3, 0.00302012/step Wall: 13420.3, 0.00302012/step, 0.447985 hours remaining, 209.167969 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: 4466000 728.9660 2089.6403 1945.1018 107.1927 -206369.8340 17840.4833 0.0000 0.0000 34393.3937 -149265.0562 300.3661 -183658.4499 -149169.8748 299.2109 15.1563 45.8051 557665.9480 1.7863 1.9865 PRESSURE: 4466200 -208.586 -84.0567 -15.8292 -84.0573 -25.1789 -106.413 -15.8297 -106.413 -109.1 GPRESSURE: 4466200 -130.48 -76.6022 -30.8771 -213.339 -31.3496 -62.1242 -20.441 -128.669 -76.6204 PRESSAVG: 4466200 24.9668 12.1334 -35.0712 12.1335 44.9385 -27.2916 -35.0712 -27.2916 -30.971 GPRESSAVG: 4466200 25.6374 11.931 -33.8601 10.1888 44.2131 -27.0949 -34.4179 -28.3253 -30.7439 TIMING: 4466200 CPU: 13420.9, 0.00300857/step Wall: 13420.9, 0.00300857/step, 0.446105 hours remaining, 209.312500 MB of memory in use. ENERGY: 4466200 717.0275 2071.3043 1947.4504 122.4470 -206073.8990 17689.0590 0.0000 0.0000 34227.8090 -149298.8020 298.9200 -183526.6109 -149200.3782 299.0669 -114.2886 -79.4835 557941.9467 12.9781 13.0355 PRESSURE: 4466400 -247.447 36.4981 -13.4123 36.4982 -443.998 -201.62 -13.4117 -201.619 -190.027 GPRESSURE: 4466400 -250.167 -54.0296 -31.1429 -3.93237 -407.927 -165.64 -29.834 -160.078 -119.255 PRESSAVG: 4466400 -0.0300706 4.15254 -23.9587 4.15259 30.4478 -6.26313 -23.9588 -6.26316 -7.79607 GPRESSAVG: 4466400 0.877038 5.73262 -24.6086 4.19663 28.928 -8.72976 -26.8174 -6.07671 -7.5084 TIMING: 4466400 CPU: 13421.5, 0.00303878/step Wall: 13421.5, 0.00303878/step, 0.450415 hours remaining, 209.312500 MB of memory in use. ENERGY: 4466400 747.1882 2021.0803 1942.9391 115.5308 -205774.0784 17380.3740 0.0000 0.0000 34243.1646 -149323.8013 299.0541 -183566.9660 -149233.5208 299.0531 -293.8241 -259.1162 557259.9484 7.5405 7.4322 PRESSURE: 4466600 -349.037 26.8818 -131.534 26.8806 -180.027 138.888 -131.534 138.889 -418.474 GPRESSURE: 4466600 -267.569 84.8373 -163.508 -38.7215 -168.3 146.388 -186.497 205.695 -406.599 PRESSAVG: 4466600 66.9956 39.153 -34.6866 39.153 -1.60473 22.3876 -34.6865 22.3876 -25.9009 GPRESSAVG: 4466600 67.5356 38.2854 -35.2456 38.1406 -2.25392 22.9632 -34.2033 23.214 -25.7406 TIMING: 4466600 CPU: 13422.1, 0.00304707/step Wall: 13422.1, 0.00304707/step, 0.451474 hours remaining, 209.312500 MB of memory in use. ENERGY: 4466600 724.1049 2055.0517 1935.0511 96.2200 -205798.3755 17453.1982 0.0000 0.0000 34104.2245 -149430.5250 297.8407 -183534.7495 -149332.8997 299.3487 -315.8460 -280.8225 557281.9116 13.1633 13.1803 PRESSURE: 4466800 -194.615 4.49348 65.7669 4.4935 69.2211 -21.4833 65.7673 -21.4847 -216.739 GPRESSURE: 4466800 -222.458 -23.719 151.631 24.3354 68.5278 -21.8438 53.4325 -78.9114 -91.3209 PRESSAVG: 4466800 38.024 -3.51826 -25.327 -3.51822 -20.5092 17.8015 -25.327 17.8014 -32.6239 GPRESSAVG: 4466800 36.929 -1.7907 -22.9807 -4.00727 -19.9642 18.8601 -24.9231 17.6129 -32.3338 TIMING: 4466800 CPU: 13422.7, 0.00303461/step Wall: 13422.7, 0.00303461/step, 0.44946 hours remaining, 209.312500 MB of memory in use. ENERGY: 4466800 736.8382 2135.9471 1939.7078 114.8533 -206166.5057 17776.4344 0.0000 0.0000 34159.3053 -149303.4196 298.3217 -183462.7249 -149213.4489 298.5813 -114.0446 -81.7504 558359.0215 -5.0364 -5.1230 PRESSURE: 4467000 -104.268 121.202 -11.1298 121.203 87.8848 39.8222 -11.1305 39.8236 -95.2826 GPRESSURE: 4467000 -67.8904 221.988 4.11744 61.9695 193.907 -15.0524 -43.8614 33.7087 -135.93 PRESSAVG: 4467000 11.0043 0.401522 0.354791 0.401561 5.26957 -32.288 0.354743 -32.2879 -6.01072 GPRESSAVG: 4467000 12.2724 -2.20335 -1.97297 2.90475 5.00935 -31.437 2.51005 -32.4687 -6.44183 TIMING: 4467000 CPU: 13423.3, 0.00302568/step Wall: 13423.3, 0.00302568/step, 0.447969 hours remaining, 209.312500 MB of memory in use. ENERGY: 4467000 734.3997 2091.3743 1935.4267 131.1506 -206540.7537 17757.0619 0.0000 0.0000 34187.1441 -149704.1966 298.5648 -183891.3406 -149606.7192 298.4843 -37.2218 -3.3044 556666.0058 3.4210 3.6133 PRESSURE: 4467200 -193.938 52.3504 92.9083 52.3506 -77.3519 10.8794 92.9085 10.8804 4.37527 GPRESSURE: 4467200 -94.1925 53.4081 51.2181 116.301 -100.635 82.1151 106.972 8.13446 11.6303 PRESSAVG: 4467200 79.509 3.30798 78.1449 3.30791 -17.5034 -27.5073 78.1449 -27.5073 -19.8774 GPRESSAVG: 4467200 79.2014 4.04888 77.9185 4.72956 -17.7518 -31.7718 77.0244 -25.8333 -19.3595 TIMING: 4467200 CPU: 13423.9, 0.00302693/step Wall: 13423.9, 0.00302693/step, 0.447985 hours remaining, 209.312500 MB of memory in use. ENERGY: 4467200 732.4412 2074.4664 1962.1251 112.0045 -206298.4451 17932.5576 0.0000 0.0000 33884.1279 -149600.7226 295.9185 -183484.8504 -149504.0213 298.0664 -88.9714 -61.0657 558378.2712 14.0428 14.0300 PRESSURE: 4467400 -252.798 -47.9887 26.063 -47.9881 -260.849 46.8649 26.0639 46.8655 -80.4119 GPRESSURE: 4467400 -205.314 -66.6171 -50.1934 -55.4843 -233.643 55.7886 11.8316 -22.3259 -69.8733 PRESSAVG: 4467400 41.4974 31.9386 30.5505 31.9387 -14.2726 -10.6613 30.5507 -10.6613 0.812864 GPRESSAVG: 4467400 41.8205 32.6988 30.589 29.093 -13.6601 -9.21176 31.6607 -8.9758 0.296188 TIMING: 4467400 CPU: 13424.5, 0.00304023/step Wall: 13424.5, 0.00304023/step, 0.449786 hours remaining, 209.312500 MB of memory in use. ENERGY: 4467400 754.9306 2089.5937 1943.7798 109.4628 -206451.9348 17685.0813 0.0000 0.0000 34173.0158 -149696.0708 298.4414 -183869.0866 -149604.5479 298.0588 -198.0195 -169.6100 555741.7177 9.3459 9.4855 PRESSURE: 4467600 -200.286 13.4155 -18.859 13.415 -217.985 -56.9778 -18.8588 -56.98 -69.5359 GPRESSURE: 4467600 -201.766 40.5289 -67.7245 60.9956 -171.835 -87.9388 21.6793 48.1908 -17.2417 PRESSAVG: 4467600 -24.92 11.9158 20.7305 11.9157 -21.391 19.3398 20.7304 19.3398 10.1814 GPRESSAVG: 4467600 -26.7605 12.7013 21.9916 11.7994 -20.1867 21.4866 19.4145 17.1467 10.5549 TIMING: 4467600 CPU: 13425.1, 0.0030116/step Wall: 13425.1, 0.0030116/step, 0.445382 hours remaining, 209.312500 MB of memory in use. ENERGY: 4467600 738.0494 2069.2337 1928.4310 114.2415 -206528.1867 17593.1621 0.0000 0.0000 34267.4618 -149817.6072 299.2663 -184085.0690 -149716.6204 297.7596 -162.6022 -130.2808 555677.2821 -12.0432 -12.1308 PRESSURE: 4467800 262.92 -87.2613 199.994 -87.2613 -40.4932 -33.4898 199.994 -33.4874 -305.469 GPRESSURE: 4467800 251.323 -127.952 209.931 17.0786 -20.0062 -23.8093 245.423 -83.4079 -204.267 PRESSAVG: 4467800 -46.4388 26.1128 -31.5018 26.1129 38.111 -1.28868 -31.5017 -1.28878 -42.9663 GPRESSAVG: 4467800 -46.3547 25.2829 -32.6791 26.4574 37.7133 -1.67126 -30.6176 -0.808745 -42.4577 TIMING: 4467800 CPU: 13425.7, 0.00301439/step Wall: 13425.7, 0.00301439/step, 0.445627 hours remaining, 209.312500 MB of memory in use. ENERGY: 4467800 716.2112 2075.7089 1923.4038 112.6076 -206536.7470 17851.6658 0.0000 0.0000 34094.4641 -149762.6855 297.7554 -183857.1496 -149665.2403 297.8362 -27.6805 9.0166 556749.2750 -17.0980 -17.0330 PRESSURE: 4468000 40.9215 69.971 11.2714 69.9714 6.22145 -4.5917 11.2716 -4.59074 -118.646 GPRESSURE: 4468000 61.0131 -14.2999 13.1676 138.335 30.3956 19.8107 6.63894 -19.8922 -64.8219 PRESSAVG: 4468000 -10.2043 -6.01396 42.4755 -6.01401 -19.5895 38.8316 42.4754 38.8316 11.5294 GPRESSAVG: 4468000 -9.22202 -5.3558 42.297 -6.31899 -18.5181 38.991 42.3105 38.9866 9.54705 TIMING: 4468000 CPU: 13426.3, 0.00303373/step Wall: 13426.3, 0.00303373/step, 0.448318 hours remaining, 209.312500 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: 4468000 774.1747 2075.1910 1952.7263 96.3033 -206453.5082 17784.2027 0.0000 0.0000 34133.8792 -149637.0310 298.0997 -183770.9103 -149544.3358 297.7233 -23.8342 8.8623 555587.4310 -6.0881 -6.0643 PRESSURE: 4468200 -28.2659 -64.7386 235.528 -64.7397 -225.787 60.0656 235.525 60.0655 -184.519 GPRESSURE: 4468200 -11.3123 -27.1817 262.22 -37.6924 -225.786 67.507 190.2 77.3245 -99.1931 PRESSAVG: 4468200 3.54973 -15.1053 68.0945 -15.1053 10.1295 13.8054 68.0944 13.8054 -32.5624 GPRESSAVG: 4468200 3.97891 -15.6181 67.3924 -14.0045 8.09046 15.2698 69.087 13.5246 -31.0558 TIMING: 4468200 CPU: 13426.9, 0.00300826/step Wall: 13426.9, 0.00300826/step, 0.444387 hours remaining, 209.312500 MB of memory in use. ENERGY: 4468200 769.2282 2082.7534 1934.1192 115.4198 -206093.3307 17674.0690 0.0000 0.0000 33992.7951 -149524.9459 296.8675 -183517.7410 -149431.9475 298.4667 -146.1906 -112.0970 556940.8891 -6.2944 -6.3288 LDB: ============= START OF LOAD BALANCING ============== 13430.3 LDB: ============== END OF LOAD BALANCING =============== 13430.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13430.3 LDB: ============= START OF LOAD BALANCING ============== 13430.7 LDB: Largest compute 4820 load 0.023668 is 20.0% of average load 0.118118 LDB: Average compute 0.001734 is 1.5% of average load 0.118118 LDB: TIME 13430.7 LOAD: AVG 0.118118 MAX 0.21955 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.516 MB LDB: TIME 13430.7 LOAD: AVG 0.118118 MAX 0.21955 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.516 MB LDB: TIME 13430.7 LOAD: AVG 0.118118 MAX 0.21955 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.516 MB LDB: ============== END OF LOAD BALANCING =============== 13430.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13430.7 PRESSURE: 4468400 -180.783 67.3604 -46.9094 67.3595 -147.037 105.58 -46.9096 105.58 12.2188 GPRESSURE: 4468400 -138 69.0278 35.347 146.023 -74.2016 156.115 -149.089 109.345 12.7421 PRESSAVG: 4468400 -103.934 6.40118 37.8843 6.40127 -2.33632 40.5426 37.8842 40.5426 46.6919 GPRESSAVG: 4468400 -103.874 6.57947 37.7688 6.73804 -2.01169 38.2916 36.7638 41.1924 46.6877 TIMING: 4468400 CPU: 13427.5, 0.00308475/step Wall: 13427.5, 0.00308475/step, 0.455514 hours remaining, 208.542969 MB of memory in use. ENERGY: 4468400 750.7254 2078.4774 1961.3100 130.5781 -206164.6726 17632.7183 0.0000 0.0000 34288.9893 -149321.8741 299.4543 -183610.8633 -149223.9596 298.8560 -105.2002 -66.4867 554593.9012 -19.8595 -19.7328 PRESSURE: 4468600 -10.8487 -37.8328 -72.768 -37.8318 -139.651 185.002 -72.7672 185.002 16.7621 GPRESSURE: 4468600 -18.4566 -120.74 -117.856 16.1996 -100.452 163.412 -24.8583 167.505 59.8678 PRESSAVG: 4468600 38.4297 30.7558 -5.13928 30.7558 -1.31594 60.1232 -5.13946 60.1231 -9.67543 GPRESSAVG: 4468600 39.7068 30.4973 -4.62749 31.2336 -0.675527 61.2871 -6.2593 58.4233 -10.6786 TIMING: 4468600 CPU: 13428.1, 0.00303577/step Wall: 13428.1, 0.00303577/step, 0.448113 hours remaining, 208.542969 MB of memory in use. ENERGY: 4468600 736.3603 2100.9586 1941.3797 117.7848 -206180.5308 17739.3802 0.0000 0.0000 34094.3887 -149450.2785 297.7548 -183544.6672 -149349.2193 299.6726 -44.5791 -19.6803 557528.9858 9.1461 9.4509 PRESSURE: 4468800 50.5619 33.1816 -96.825 33.182 -51.5634 -177.323 -96.8239 -177.322 -136.932 GPRESSURE: 4468800 105.492 43.832 -180.706 -24.2212 0.425512 -161.409 -29.4817 -142.642 -134.337 PRESSAVG: 4468800 74.2261 -5.69133 27.894 -5.69125 -40.5065 -13.0441 27.8939 -13.0442 -8.31326 GPRESSAVG: 4468800 73.948 -5.89274 25.9576 -7.385 -40.8211 -11.913 28.5342 -11.4201 -7.59199 TIMING: 4468800 CPU: 13428.7, 0.00302189/step Wall: 13428.7, 0.00302189/step, 0.445896 hours remaining, 208.800781 MB of memory in use. ENERGY: 4468800 742.4894 2062.6020 1952.1848 105.4474 -206626.2864 17946.3837 0.0000 0.0000 34298.4207 -149518.7586 299.5366 -183817.1793 -149422.8416 298.6593 -45.9778 -9.4731 557105.6900 8.4688 8.5116 PRESSURE: 4469000 -7.61942 -79.4337 -57.4195 -79.4331 -8.80946 262.47 -57.4189 262.468 -107.928 GPRESSURE: 4469000 24.6665 -114.946 19.515 18.0623 9.48852 211.975 -16.9219 227.405 -47.4484 PRESSAVG: 4469000 39.4175 8.408 31.6492 8.40791 -0.109441 -9.16736 31.6492 -9.16737 10.9281 GPRESSAVG: 4469000 38.0669 8.02116 35.0117 9.43326 0.963223 -11.2076 31.6881 -8.37354 11.1669 TIMING: 4469000 CPU: 13429.4, 0.00305555/step Wall: 13429.4, 0.00305555/step, 0.450694 hours remaining, 208.867188 MB of memory in use. ENERGY: 4469000 753.9220 2078.6802 1939.7154 109.0928 -206415.6158 17729.5270 0.0000 0.0000 34273.6586 -149531.0199 299.3204 -183804.6784 -149445.2507 298.1744 -41.4523 -4.4311 555996.3546 16.7454 16.7323 PRESSURE: 4469200 -211.735 41.3163 71.6778 41.3169 186.073 78.3793 71.6781 78.3791 7.61557 GPRESSURE: 4469200 -181.212 12.0581 89.9275 62.752 223.547 104.202 80.3905 99.8783 49.8428 PRESSAVG: 4469200 -88.8096 -31.4387 -1.22574 -31.4388 118.207 46.4389 -1.22563 46.4389 -33.6268 GPRESSAVG: 4469200 -88.0099 -30.5852 -3.22426 -31.9196 118.301 49.0391 -1.50512 44.6188 -34.3544 TIMING: 4469200 CPU: 13430, 0.00307421/step Wall: 13430, 0.00307421/step, 0.453275 hours remaining, 208.867188 MB of memory in use. ENERGY: 4469200 729.1563 2080.3755 1945.8634 104.9977 -206308.9868 17848.4577 0.0000 0.0000 33876.3713 -149723.7649 295.8508 -183600.1362 -149633.2656 297.7733 -6.0157 30.7258 557707.4728 -1.4099 -1.3544 PRESSURE: 4469400 -153.645 -52.747 -52.5703 -52.7481 -183.192 23.0364 -52.571 23.0353 -264.891 GPRESSURE: 4469400 -99.5777 -100.911 -85.4873 -77.2879 -136.041 0.465104 -31.1311 21.1072 -268.191 PRESSAVG: 4469400 -16.4486 -21.0826 30.8667 -21.0825 5.5891 3.22016 30.8667 3.2202 3.36865 GPRESSAVG: 4469400 -16.6867 -20.3228 31.6372 -20.9269 5.76897 0.603197 31.3291 6.18061 3.80243 TIMING: 4469400 CPU: 13430.6, 0.00306115/step Wall: 13430.6, 0.00306115/step, 0.451179 hours remaining, 208.867188 MB of memory in use. ENERGY: 4469400 747.9755 2018.0429 1934.0966 111.2965 -206109.4203 17566.5016 0.0000 0.0000 33995.0021 -149736.5052 296.8868 -183731.5073 -149643.3688 297.2541 -200.5761 -167.9364 557168.7363 -2.4970 -2.3718 PRESSURE: 4469600 -319.083 141.802 54.7794 141.802 -175.284 43.3483 54.7788 43.3472 -358 GPRESSURE: 4469600 -282.057 71.771 -53.4503 180.555 -128.113 143.42 69.173 70.1594 -345.706 PRESSAVG: 4469600 -3.81286 29.1118 -5.80404 29.1118 44.1161 26.8704 -5.80401 26.8704 -8.9678 GPRESSAVG: 4469600 -2.50599 29.6311 -6.48392 28.6923 44.2155 25.7924 -6.10398 26.7925 -10.1375 TIMING: 4469600 CPU: 13431.2, 0.0030154/step Wall: 13431.2, 0.0030154/step, 0.444269 hours remaining, 208.867188 MB of memory in use. ENERGY: 4469600 781.3256 2068.6017 1945.7094 109.2077 -206174.3933 17473.6380 0.0000 0.0000 34126.5946 -149669.3163 298.0360 -183795.9109 -149573.0001 298.1427 -284.1222 -251.9586 556418.9698 10.4452 10.5240 PRESSURE: 4469800 -295.262 -116.687 25.5191 -116.688 -224.928 113.09 25.5192 113.089 59.1171 GPRESSURE: 4469800 -277.662 -137.448 -37.6447 -24.3944 -177.052 123.633 46.8233 162.757 90.2418 PRESSAVG: 4469800 -20.9667 14.5135 21.0107 14.5136 -77.1975 61.2036 21.0107 61.2036 100.532 GPRESSAVG: 4469800 -22.8181 11.831 20.5867 14.9929 -77.0156 62.7952 20.3718 60.1307 101.893 TIMING: 4469800 CPU: 13431.8, 0.00299963/step Wall: 13431.8, 0.00299963/step, 0.441779 hours remaining, 208.867188 MB of memory in use. ENERGY: 4469800 738.7901 2042.0291 1919.7070 138.5769 -206113.1312 17420.0598 0.0000 0.0000 34157.4263 -149696.5420 298.3053 -183853.9683 -149597.0975 298.2099 -153.6910 -121.4907 555253.2137 0.7891 0.6865 PRESSURE: 4470000 39.5881 -61.5266 109.097 -61.5262 -156.728 -160.442 109.099 -160.442 -28.2224 GPRESSURE: 4470000 49.7153 -126.664 192.924 -24.2365 -195.001 -132.96 113.996 -153.264 85.1061 PRESSAVG: 4470000 -20.998 3.62608 -15.8552 3.62611 14.0912 21.1402 -15.8551 21.1401 8.03106 GPRESSAVG: 4470000 -19.4053 6.42464 -13.8219 2.05795 13.3513 20.2017 -15.517 19.9947 7.2797 TIMING: 4470000 CPU: 13432.4, 0.00301293/step Wall: 13432.4, 0.00301293/step, 0.44357 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4470000 730.7022 2065.9460 1934.7627 131.8870 -206355.4161 17670.9715 0.0000 0.0000 34165.9654 -149655.1813 298.3799 -183821.1467 -149558.7471 298.3545 -48.4541 -20.0599 556590.6261 0.3747 0.4086 PRESSURE: 4470200 -373.276 -131.147 133.877 -131.148 -141.376 95.2741 133.878 95.2748 -114.468 GPRESSURE: 4470200 -344.593 -145.485 102.225 -121.639 -71.666 42.7648 268.556 107.578 -106.608 PRESSAVG: 4470200 -12.7616 -60.061 57.4708 -60.0611 28.9916 -29.4382 57.4706 -29.4381 6.36993 GPRESSAVG: 4470200 -14.1355 -60.8688 56.2885 -60.4012 30.1727 -27.7806 57.6934 -29.7657 7.18767 TIMING: 4470200 CPU: 13433, 0.00303374/step Wall: 13433, 0.00303374/step, 0.446465 hours remaining, 208.867188 MB of memory in use. ENERGY: 4470200 746.7376 2090.3740 1963.5558 118.9612 -206331.2250 17667.9013 0.0000 0.0000 34256.9746 -149486.7204 299.1747 -183743.6950 -149395.7211 298.9223 -209.7069 -174.2890 557766.3461 7.5333 7.7416 PRESSURE: 4470400 -227.45 -18.1871 -53.8036 -18.1857 -75.6881 -33.7381 -53.8026 -33.7395 -268.354 GPRESSURE: 4470400 -185.278 9.2502 -12.9828 -65.6852 -41.295 54.1417 -69.5431 -20.9917 -253.934 PRESSAVG: 4470400 -16.5049 -48.1924 54.5277 -48.1924 -31.9513 -19.786 54.5277 -19.7859 28.6905 GPRESSAVG: 4470400 -15.5412 -48.3045 52.269 -48.2113 -31.7751 -18.2985 55.0507 -20.5536 27.6139 TIMING: 4470400 CPU: 13433.6, 0.00304163/step Wall: 13433.6, 0.00304163/step, 0.447457 hours remaining, 208.867188 MB of memory in use. ENERGY: 4470400 745.2907 2086.5545 1916.1432 122.5626 -206219.0708 17513.1643 0.0000 0.0000 34234.8990 -149600.4566 298.9819 -183835.3556 -149504.4992 298.8610 -190.4973 -160.1689 558001.8745 -6.5886 -6.5675 PRESSURE: 4470600 -17.2242 -91.4761 -8.95136 -91.4752 67.7119 -49.5612 -8.95201 -49.5615 -57.8816 GPRESSURE: 4470600 28.0525 -31.5812 -17.9624 -130.706 56.052 -81.3021 30.8993 -33.9326 6.33611 PRESSAVG: 4470600 -67.2428 19.9602 -37.6803 19.9603 9.02003 -17.5811 -37.6803 -17.581 14.491 GPRESSAVG: 4470600 -66.2284 19.3005 -36.7603 22.2882 7.89992 -20.3041 -37.3347 -15.9283 15.0992 TIMING: 4470600 CPU: 13434.2, 0.00304059/step Wall: 13434.2, 0.00304059/step, 0.447135 hours remaining, 208.867188 MB of memory in use. ENERGY: 4470600 751.5943 2085.6058 1929.4198 109.4118 -206618.9267 17858.5237 0.0000 0.0000 34305.2665 -149579.1049 299.5964 -183884.3714 -149479.4334 299.0031 -2.4646 30.1469 556753.3494 -14.5772 -14.4098 PRESSURE: 4470800 -39.118 -194.763 29.8634 -194.765 138.58 -44.4086 29.8639 -44.409 60.8549 GPRESSURE: 4470800 -34.6893 -125.271 -109.075 -182.607 213.18 -37.6346 74.6844 -81.0667 74.9187 PRESSAVG: 4470800 43.7077 -9.4312 12.9929 -9.43113 -90.9071 -12.1412 12.9931 -12.1413 50.7225 GPRESSAVG: 4470800 42.915 -8.6772 13.9626 -10.3747 -89.8144 -12.4469 13.3349 -12.4157 50.4876 TIMING: 4470800 CPU: 13434.8, 0.00302961/step Wall: 13434.8, 0.00302961/step, 0.445353 hours remaining, 208.867188 MB of memory in use. ENERGY: 4470800 773.7994 2043.7635 1950.3144 118.2184 -206659.8469 18018.4449 0.0000 0.0000 34273.3592 -149481.9470 299.3178 -183755.3063 -149385.0828 298.9983 53.4388 84.4698 556340.2751 1.1744 1.1961 PRESSURE: 4471000 -139.618 -105.38 -39.5984 -105.381 -35.4417 40.566 -39.5989 40.5667 -246.974 GPRESSURE: 4471000 -104.201 -151.329 -64.631 -62.4596 -12.7386 18.008 -64.2943 57.4165 -220.976 PRESSAVG: 4471000 -43.8699 -13.8453 -9.96503 -13.8452 49.6916 -24.9276 -9.96498 -24.9274 -11.6372 GPRESSAVG: 4471000 -44.0146 -14.7354 -9.12036 -14.53 50.0299 -23.9505 -9.1982 -26.7008 -11.6857 TIMING: 4471000 CPU: 13435.4, 0.00303055/step Wall: 13435.4, 0.00303055/step, 0.445323 hours remaining, 208.867188 MB of memory in use. ENERGY: 4471000 742.9814 2071.4597 1937.6008 122.3584 -205804.0032 17423.0647 0.0000 0.0000 34029.1170 -149477.4211 297.1847 -183506.5382 -149382.0393 298.5737 -140.6780 -112.6385 557418.1451 -1.9385 -1.8901 PRESSURE: 4471200 -136.324 -28.9093 28.2631 -28.9111 32.2045 141.836 28.2634 141.837 0.0894981 GPRESSURE: 4471200 -154.276 64.4662 -34.7091 -100.813 103.177 89.0425 41.6324 127.39 58.8713 PRESSAVG: 4471200 -10.0201 -27.5815 -40.0065 -27.5815 31.5069 60.2569 -40.0065 60.257 -3.49212 GPRESSAVG: 4471200 -10.0414 -30.2236 -41.4659 -25.1025 31.565 59.5316 -39.8508 62.0204 -3.34749 TIMING: 4471200 CPU: 13436, 0.0030361/step Wall: 13436, 0.0030361/step, 0.445969 hours remaining, 208.867188 MB of memory in use. ENERGY: 4471200 737.8708 2086.7809 1919.1045 113.4024 -206353.2753 17848.3886 0.0000 0.0000 34252.5844 -149395.1437 299.1363 -183647.7281 -149297.0229 297.8595 -34.6767 2.5908 557675.1701 5.9982 6.0587 PRESSURE: 4471400 86.3065 9.29986 112.141 9.29969 -150.394 -4.44273 112.141 -4.4421 175.58 GPRESSURE: 4471400 103.355 50.2189 76.9304 97.4964 -76.0753 41.0851 68.4177 -54.4928 190.617 PRESSAVG: 4471400 -48.7829 4.06092 10.9653 4.06083 54.9269 59.5384 10.9653 59.5382 -11.9582 GPRESSAVG: 4471400 -48.8632 5.95643 11.3354 1.27492 54.489 58.0416 10.287 60.0014 -11.2789 TIMING: 4471400 CPU: 13436.6, 0.00303032/step Wall: 13436.6, 0.00303032/step, 0.444952 hours remaining, 208.867188 MB of memory in use. ENERGY: 4471400 759.1642 2048.0922 1951.9651 98.8196 -206636.9416 18071.9339 0.0000 0.0000 34394.0286 -149312.9381 300.3716 -183706.9667 -149220.7227 298.6322 37.1640 72.6320 556340.3457 -1.9381 -1.8843 PRESSURE: 4471600 -112.231 -30.5467 104.623 -30.5438 -226.294 -81.0011 104.623 -81.0006 180.46 GPRESSURE: 4471600 -74.0258 34.9658 130.055 -71.7513 -190.914 -1.99197 60.2954 -67.79 207.126 PRESSAVG: 4471600 -25.4896 -18.1275 27.1245 -18.1274 14.608 54.2669 27.1245 54.2668 48.1202 GPRESSAVG: 4471600 -25.6943 -18.0085 26.4633 -16.8701 13.5165 57.1728 27.6018 53.2873 48.969 TIMING: 4471600 CPU: 13437.2, 0.00301902/step Wall: 13437.2, 0.00301902/step, 0.443125 hours remaining, 208.867188 MB of memory in use. ENERGY: 4471600 702.0175 2043.7819 1951.9816 110.8745 -205846.5323 17523.3341 0.0000 0.0000 34133.3845 -149381.1583 298.0953 -183514.5428 -149283.6053 298.7115 -52.6882 -19.2715 557864.4630 12.4128 12.2637 PRESSURE: 4471800 11.9117 -159.247 47.5734 -159.247 -83.1052 -86.9997 47.5751 -86.9969 -156.65 GPRESSURE: 4471800 32.4097 -158.015 9.71868 -114.881 -26.3365 -34.6386 94.9686 -129.31 -140.783 PRESSAVG: 4471800 -35.825 14.29 12.2285 14.29 73.5398 -67.1275 12.2285 -67.1274 -10.6834 GPRESSAVG: 4471800 -36.1061 15.7811 12.3221 13.5088 74.6909 -66.7819 12.8284 -68.9364 -11.3193 TIMING: 4471800 CPU: 13437.8, 0.00299124/step Wall: 13437.8, 0.00299124/step, 0.438881 hours remaining, 208.867188 MB of memory in use. ENERGY: 4471800 746.2156 2068.2374 1959.6879 111.8026 -206453.9572 17883.6121 0.0000 0.0000 34439.7872 -149244.6145 300.7712 -183684.4016 -149146.8987 298.5073 -75.9479 -44.9032 558491.5093 9.0105 9.0885 PRESSURE: 4472000 -28.279 17.6267 -0.842798 17.6273 -141.5 -56.2474 -0.843055 -56.2455 -247.706 GPRESSURE: 4472000 8.83984 114.503 13.5516 -34.8473 -92.0287 -50.3944 1.23608 -17.3185 -217.993 PRESSAVG: 4472000 -16.2348 25.4547 -29.3602 25.4548 -10.0882 -63.1989 -29.3602 -63.199 -6.19388 GPRESSAVG: 4472000 -15.6018 23.6964 -28.7263 25.6255 -10.0092 -62.3172 -29.9144 -60.251 -6.67718 TIMING: 4472000 CPU: 13438.4, 0.00301678/step Wall: 13438.4, 0.00301678/step, 0.442461 hours remaining, 208.867188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4472000 770.5861 2103.3338 1937.1735 119.6259 -206106.6417 17801.9923 0.0000 0.0000 34208.0687 -149165.8614 298.7476 -183373.9301 -149075.9690 299.1402 -139.1616 -100.3941 559109.3384 -10.8390 -10.7627 PRESSURE: 4472200 101.2 -110.873 -155.394 -110.874 174.3 80.9046 -155.394 80.9028 -70.4022 GPRESSURE: 4472200 146.092 -119.654 -79.953 -68.1835 162.468 74.0949 -187.293 87.7151 -14.1312 PRESSAVG: 4472200 -23.5258 -1.4193 -14.868 -1.41938 55.6566 17.2883 -14.868 17.2884 -31.4209 GPRESSAVG: 4472200 -25.1528 -2.06347 -14.4297 -0.933318 56.1908 16.9556 -14.4739 16.1525 -29.927 TIMING: 4472200 CPU: 13439.1, 0.00304167/step Wall: 13439.1, 0.00304167/step, 0.445943 hours remaining, 208.867188 MB of memory in use. ENERGY: 4472200 745.0050 2121.9246 1932.8469 115.2005 -206282.1130 17982.8568 0.0000 0.0000 34078.4778 -149305.8014 297.6158 -183384.2791 -149211.3243 299.3745 68.3657 98.1427 557697.2446 0.2366 0.3703 LDB: ============= START OF LOAD BALANCING ============== 13442.5 LDB: ============== END OF LOAD BALANCING =============== 13442.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13442.5 LDB: ============= START OF LOAD BALANCING ============== 13442.8 LDB: Largest compute 4820 load 0.025278 is 21.4% of average load 0.118128 LDB: Average compute 0.001734 is 1.5% of average load 0.118128 LDB: TIME 13442.8 LOAD: AVG 0.118128 MAX 0.216242 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.059 MB LDB: TIME 13442.8 LOAD: AVG 0.118128 MAX 0.216242 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.059 MB LDB: TIME 13442.8 LOAD: AVG 0.118128 MAX 0.216242 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.059 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13442.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13442.8 PRESSURE: 4472400 85.8938 9.95624 -117.414 9.95656 233.577 7.87239 -117.414 7.87297 91.1799 GPRESSURE: 4472400 137.327 21.9087 -121.086 -70.7493 271.796 -65.0147 -122.82 46.0434 106.189 PRESSAVG: 4472400 7.99227 -26.9073 -41.008 -26.9073 26.2627 -59.5299 -41.008 -59.5299 -19.0908 GPRESSAVG: 4472400 9.28234 -27.2568 -42.2477 -26.4172 25.7025 -60.8806 -40.6112 -59.5695 -20.3287 TIMING: 4472400 CPU: 13439.7, 0.00311779/step Wall: 13439.7, 0.00311779/step, 0.45693 hours remaining, 207.671875 MB of memory in use. ENERGY: 4472400 734.9685 2092.8739 1976.1980 118.6972 -206875.6975 18273.5218 0.0000 0.0000 34158.0219 -149521.4162 298.3105 -183679.4382 -149424.9110 298.7091 136.8836 171.7704 556901.4303 5.0547 4.8854 PRESSURE: 4472600 123.706 -121.242 81.4677 -121.242 85.3046 51.4341 81.4682 51.4342 -88.1445 GPRESSURE: 4472600 135.469 -134.52 41.1759 -127.197 89.4981 -9.94763 60.7169 82.9931 -0.941741 PRESSAVG: 4472600 -18.8401 -19.6629 2.79602 -19.6629 -15.1299 -33.2968 2.7959 -33.2969 1.45344 GPRESSAVG: 4472600 -18.2885 -19.0047 2.90876 -19.0728 -15.8097 -32.7876 1.79269 -32.2479 1.14899 TIMING: 4472600 CPU: 13440.3, 0.003002/step Wall: 13440.3, 0.003002/step, 0.439794 hours remaining, 207.875000 MB of memory in use. ENERGY: 4472600 742.2324 2032.3828 1958.3583 110.6495 -206591.1126 18032.3128 0.0000 0.0000 34173.9008 -149541.2761 298.4492 -183715.1769 -149442.9088 298.8708 40.2886 74.6752 557366.7155 -10.8389 -10.9831 PRESSURE: 4472800 298.535 107.297 -89.4365 107.298 192.288 -81.011 -89.4366 -81.0106 124.271 GPRESSURE: 4472800 305.18 99.6756 -73.0559 58.4208 249.825 -61.8107 -3.56317 -67.6173 170.588 PRESSAVG: 4472800 3.52549 -53.4503 58.474 -53.4503 -14.4076 -8.80725 58.4741 -8.80724 6.01431 GPRESSAVG: 4472800 2.66821 -52.6683 58.4582 -53.6327 -12.8458 -7.35494 59.4453 -9.81788 5.94579 TIMING: 4472800 CPU: 13440.9, 0.00302478/step Wall: 13440.9, 0.00302478/step, 0.442962 hours remaining, 207.875000 MB of memory in use. ENERGY: 4472800 748.5416 2014.2597 1949.5722 111.2159 -206800.2243 18341.6079 0.0000 0.0000 34042.0518 -149592.9751 297.2977 -183635.0269 -149491.0655 298.7608 205.0311 241.8643 555990.4191 -1.6226 -1.4106 PRESSURE: 4473000 -171.044 -80.9178 -70.7323 -80.9172 -69.6285 96.5816 -70.7336 96.5804 -115.671 GPRESSURE: 4473000 -132.998 -11.4672 -34.5182 -100.186 -81.6705 51.2719 -80.2834 143.859 -30.4874 PRESSAVG: 4473000 -55.3874 12.6046 -3.15044 12.6045 50.1962 -3.87143 -3.15051 -3.87148 -64.4446 GPRESSAVG: 4473000 -53.8464 15.6085 -1.8403 10.2957 48.7572 -6.21868 -3.12109 -4.50856 -64.6767 TIMING: 4473000 CPU: 13441.5, 0.00299679/step Wall: 13441.5, 0.00299679/step, 0.438696 hours remaining, 207.875000 MB of memory in use. ENERGY: 4473000 739.4119 2051.8619 1961.8017 117.6994 -206172.6691 17647.6287 0.0000 0.0000 34294.6821 -149359.5835 299.5040 -183654.2656 -149268.1714 298.6261 -118.7814 -81.7187 556223.3284 -23.2119 -23.2553 PRESSURE: 4473200 178.417 -94.7598 10.6618 -94.7589 -26.3105 -199.707 10.662 -199.708 -0.156172 GPRESSURE: 4473200 201.23 -108.682 -31.7383 -84.8629 22.8464 -240.47 14.3158 -233.14 39.2976 PRESSAVG: 4473200 2.89005 28.0813 6.7532 28.0813 53.8349 -2.43609 6.75324 -2.43603 -26.8837 GPRESSAVG: 4473200 1.71509 26.6793 6.39673 29.0534 54.4209 -3.41844 7.79066 -2.15737 -26.7406 TIMING: 4473200 CPU: 13442.1, 0.00301254/step Wall: 13442.1, 0.00301254/step, 0.440835 hours remaining, 207.875000 MB of memory in use. ENERGY: 4473200 740.3157 2080.0169 1930.8947 109.5931 -206401.6013 17983.0972 0.0000 0.0000 34079.2494 -149478.4342 297.6226 -183557.6836 -149387.9689 298.4248 50.6502 87.7913 556718.2782 9.9471 9.7985 PRESSURE: 4473400 -33.4531 -54.9599 20.8853 -54.9603 -159.781 -25.8702 20.8843 -25.8696 105.662 GPRESSURE: 4473400 -7.15031 -32.9099 -3.55986 -23.7484 -111.363 -157.194 13.8972 36.1171 128.251 PRESSAVG: 4473400 35.0477 -7.31055 30.8332 -7.31057 25.4362 22.0581 30.8332 22.0582 -27.812 GPRESSAVG: 4473400 35.2614 -7.98756 29.8495 -7.83208 26.0037 23.4946 31.0805 21.7821 -27.8908 TIMING: 4473400 CPU: 13442.7, 0.00302644/step Wall: 13442.7, 0.00302644/step, 0.4427 hours remaining, 207.875000 MB of memory in use. ENERGY: 4473400 735.3694 2065.3205 1958.8866 118.8732 -206347.4980 17801.4981 0.0000 0.0000 34167.3693 -149500.1809 298.3921 -183667.5502 -149400.8320 298.1045 -29.1907 3.2461 556512.7704 10.8907 11.1248 PRESSURE: 4473600 -152.479 24.287 -5.49877 24.2884 22.4516 57.729 -5.49969 57.7311 -2.58176 GPRESSURE: 4473600 -142.899 29.3789 -10.2783 13.5589 58.7815 0.88928 12.5633 88.7752 58.1947 PRESSAVG: 4473600 -134.531 33.9979 103.145 33.9979 65.4053 46.6692 103.145 46.6692 46.3464 GPRESSAVG: 4473600 -135.495 36.2207 106.056 33.3256 64.8967 45.5322 98.8318 46.9921 48.036 TIMING: 4473600 CPU: 13443.3, 0.00301362/step Wall: 13443.3, 0.00301362/step, 0.440658 hours remaining, 207.875000 MB of memory in use. ENERGY: 4473600 755.5253 2069.1713 1961.1438 116.5657 -206456.7367 17765.7665 0.0000 0.0000 34341.1065 -149447.4577 299.9094 -183788.5642 -149355.9070 299.0514 -44.2029 -8.6410 557716.9977 -7.5931 -7.5206 PRESSURE: 4473800 -127.199 26.6947 -22.1438 26.6932 -317.103 -58.2035 -22.1435 -58.2033 -137.414 GPRESSURE: 4473800 -119.655 42.5195 -66.9475 -40.3198 -284.718 -104.038 53.1307 -58.5422 -69.8943 PRESSAVG: 4473800 29.4907 -36.3997 49.3579 -36.3997 17.8603 14.3394 49.3579 14.3394 21.1593 GPRESSAVG: 4473800 29.088 -38.7622 46.8214 -34.3297 17.5864 15.5445 51.8982 14.1316 21.6847 TIMING: 4473800 CPU: 13443.9, 0.00300352/step Wall: 13443.9, 0.00300352/step, 0.439014 hours remaining, 207.875000 MB of memory in use. ENERGY: 4473800 791.3339 2119.3247 1961.2851 108.2505 -206237.9388 17567.0624 0.0000 0.0000 34115.0153 -149575.6671 297.9349 -183690.6824 -149475.6511 298.8577 -193.9055 -158.0889 557831.7303 22.8368 22.7864 PRESSURE: 4474000 24.446 121.159 -14.0137 121.159 155.943 93.9667 -14.0131 93.9694 106.982 GPRESSURE: 4474000 62.8776 146.652 96.3894 97.5789 153.097 196.448 -80.6658 49.9447 165.731 PRESSAVG: 4474000 51.1585 36.5924 -4.83918 36.5924 -2.8785 11.9308 -4.83914 11.9307 8.02259 GPRESSAVG: 4474000 51.7922 37.7968 -2.96444 35.3494 -1.46244 11.767 -5.87485 10.9083 5.98782 TIMING: 4474000 CPU: 13444.5, 0.00301884/step Wall: 13444.5, 0.00301884/step, 0.441086 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: 4474000 725.4521 2083.9512 1967.9950 109.8172 -206692.8772 17885.9423 0.0000 0.0000 34297.4250 -149622.2943 299.5279 -183919.7193 -149524.0268 298.1990 95.7903 127.2350 555339.4398 18.7675 18.7725 PRESSURE: 4474200 18.7991 -56.2539 -122.131 -56.2548 -76.7469 24.9967 -122.131 24.9971 -136.254 GPRESSURE: 4474200 7.98197 -12.8307 -151.03 -25.1682 -46.3254 61.5826 -138.808 -75.5042 -53.7473 PRESSAVG: 4474200 0.781359 39.0917 -21.3478 39.0917 64.4225 50.5639 -21.3479 50.5639 -18.28 GPRESSAVG: 4474200 1.62457 39.3911 -21.7016 40.5264 62.876 52.171 -21.1328 50.9009 -17.8541 TIMING: 4474200 CPU: 13445.1, 0.0030071/step Wall: 13445.1, 0.0030071/step, 0.439203 hours remaining, 207.875000 MB of memory in use. ENERGY: 4474200 773.3986 2114.4163 1937.7140 115.7012 -206659.4241 17949.7282 0.0000 0.0000 34157.4843 -149610.9815 298.3058 -183768.4658 -149514.8483 298.5945 -64.7340 -30.6969 556627.3759 15.6413 15.5488 PRESSURE: 4474400 -68.9953 -39.1097 189.308 -39.1094 -127.746 -80.8525 189.308 -80.853 -147.332 GPRESSURE: 4474400 -6.38552 -73.9353 180.647 14.2987 -98.5903 -73.4417 152.411 -76.4758 -143.481 PRESSAVG: 4474400 -7.42836 42.8343 16.6614 42.8344 62.2442 11.4712 16.6614 11.4712 -57.8698 GPRESSAVG: 4474400 -6.95311 40.3417 16.99 43.2742 63.1764 10.9191 14.5526 13.461 -58.8521 TIMING: 4474400 CPU: 13445.7, 0.00299413/step Wall: 13445.7, 0.00299413/step, 0.437143 hours remaining, 207.875000 MB of memory in use. ENERGY: 4474400 755.5159 2154.0082 1943.8116 121.7691 -206383.1842 17828.2639 0.0000 0.0000 34031.6137 -149548.2018 297.2065 -183579.8155 -149450.3115 298.5254 -114.6913 -82.8191 557474.7867 -1.0180 -0.8763 PRESSURE: 4474600 106.63 114.422 -45.9926 114.42 -157.826 86.9285 -45.9924 86.9279 225.569 GPRESSURE: 4474600 176.596 109.382 -33.0553 104.886 -133.461 41.5355 -32.9393 111.584 238.575 PRESSAVG: 4474600 28.4785 -19.0036 -0.210863 -19.0036 13.2183 22.3793 -0.210831 22.3792 -32.1187 GPRESSAVG: 4474600 27.7907 -19.31 -0.630654 -17.9265 12.6079 21.0076 2.08901 19.9281 -30.6929 TIMING: 4474600 CPU: 13446.3, 0.00302658/step Wall: 13446.3, 0.00302658/step, 0.441713 hours remaining, 207.875000 MB of memory in use. ENERGY: 4474600 794.4390 2083.0151 1948.4434 100.1916 -206637.4034 18069.0512 0.0000 0.0000 34171.0396 -149471.2234 298.4242 -183642.2630 -149368.7886 298.1762 58.1243 93.9034 557039.1223 3.1927 3.2352 PRESSURE: 4474800 -152.656 -115.728 28.6596 -115.729 -134.459 89.7864 28.662 89.7861 17.1963 GPRESSURE: 4474800 -94.6128 -81.4351 -27.7598 -135.34 -125.58 98.6537 72.7552 111.276 44.8486 PRESSAVG: 4474800 -48.8587 7.38557 15.9038 7.38563 -3.47018 -19.1692 15.9038 -19.1693 26.3515 GPRESSAVG: 4474800 -48.8102 11.727 15.1772 3.70803 -3.69787 -18.8119 17.2435 -17.2638 26.0465 TIMING: 4474800 CPU: 13446.9, 0.00303364/step Wall: 13446.9, 0.00303364/step, 0.442574 hours remaining, 207.875000 MB of memory in use. ENERGY: 4474800 747.9769 2137.9854 1963.5781 113.5496 -206363.2675 17707.9384 0.0000 0.0000 34332.6429 -149359.5962 299.8355 -183692.2392 -149271.0969 299.1383 -89.9731 -58.4480 557360.6927 -8.6591 -8.8205 PRESSURE: 4475000 -177.276 -313.955 -8.26057 -313.955 -201.765 -195.425 -8.26003 -195.427 -296.941 GPRESSURE: 4475000 -142.912 -387.688 42.4536 -263.698 -135.081 -105.912 -80.3402 -193.853 -308.705 PRESSAVG: 4475000 41.7547 -18.3256 -21.8924 -18.3256 -36.6534 -12.4475 -21.8923 -12.4476 6.59165 GPRESSAVG: 4475000 41.4636 -20.4454 -22.8374 -15.9956 -36.3353 -11.2646 -22.096 -14.3862 6.5598 TIMING: 4475000 CPU: 13447.5, 0.00308797/step Wall: 13447.5, 0.00308797/step, 0.450328 hours remaining, 207.875000 MB of memory in use. ENERGY: 4475000 785.3035 2062.2823 1979.4061 102.2998 -205764.8119 17417.2692 0.0000 0.0000 34184.6127 -149233.6384 298.5427 -183418.2511 -149133.2282 298.9959 -225.3271 -195.5660 555569.2938 3.8976 3.8960 PRESSURE: 4475200 -533.535 32.8352 -226.166 32.8351 -32.9984 3.5479 -226.166 3.54719 -250.284 GPRESSURE: 4475200 -501.789 -32.3118 -188.345 8.31264 58.7859 -21.8977 -178.309 98.1971 -272.726 PRESSAVG: 4475200 -41.4264 -24.8552 -29.6993 -24.8551 52.2153 18.2249 -29.6993 18.2249 19.0083 GPRESSAVG: 4475200 -40.2208 -25.304 -28.014 -27.3343 52.087 16.1973 -32.5783 21.702 18.4854 TIMING: 4475200 CPU: 13448.1, 0.00304103/step Wall: 13448.1, 0.00304103/step, 0.443315 hours remaining, 207.875000 MB of memory in use. ENERGY: 4475200 744.7379 2068.7376 1938.0360 111.8392 -205611.5204 17400.9006 0.0000 0.0000 34171.1048 -149176.1642 298.4248 -183347.2690 -149079.4185 299.7805 -272.2723 -238.5765 557220.9006 9.9324 10.1172 PRESSURE: 4475400 291.855 19.395 -36.5337 19.3966 -75.8833 229.382 -36.534 229.381 157.934 GPRESSURE: 4475400 341.11 36.0388 -29.8741 -37.0176 -13.1705 200.429 -19.0155 241.842 142.262 PRESSAVG: 4475400 16.5094 1.57317 -37.2888 1.57314 -15.336 27.3439 -37.2888 27.344 -33.0852 GPRESSAVG: 4475400 16.77 -0.426106 -39.1128 4.69628 -15.3169 29.5332 -35.8609 25.7535 -33.3629 TIMING: 4475400 CPU: 13448.7, 0.00305118/step Wall: 13448.7, 0.00305118/step, 0.444625 hours remaining, 207.875000 MB of memory in use. ENERGY: 4475400 742.9722 2105.4756 1967.5270 121.1961 -206042.5177 17948.3816 0.0000 0.0000 34012.6215 -149144.3436 297.0407 -183156.9651 -149054.4920 299.0016 124.6354 156.7339 556514.9539 -10.6373 -10.6366 PRESSURE: 4475600 -220.555 23.427 -67.5317 23.4279 -207.083 4.96707 -67.531 4.96563 -1.05659 GPRESSURE: 4475600 -171.088 24.8432 9.08573 19.7794 -111.97 59.6815 -167.007 12.6829 -35.9042 PRESSAVG: 4475600 -57.0698 -45.805 -58.143 -45.805 20.0708 -18.6299 -58.1429 -18.63 33.9551 GPRESSAVG: 4475600 -56.8949 -43.6781 -55.2549 -45.796 19.2157 -19.4361 -57.8971 -17.0331 34.206 TIMING: 4475600 CPU: 13449.4, 0.00306652/step Wall: 13449.4, 0.00306652/step, 0.44669 hours remaining, 207.875000 MB of memory in use. ENERGY: 4475600 716.9398 2119.6080 1941.9584 119.8726 -206028.7432 17601.8345 0.0000 0.0000 34279.8133 -149248.7165 299.3741 -183528.5298 -149155.7562 299.0450 -142.8981 -106.3209 556365.5444 -1.0147 -1.1577 PRESSURE: 4475800 98.7017 76.717 133.321 76.7169 150.916 40.1738 133.32 40.1723 27.9161 GPRESSURE: 4475800 112.191 134.277 161.32 74.9325 175.82 39.2365 89.2548 60.781 91.1398 PRESSAVG: 4475800 51.4918 -43.8981 -32.6098 -43.8981 3.85468 20.0446 -32.6097 20.0447 -22.2084 GPRESSAVG: 4475800 50.8903 -44.4998 -33.8657 -45.6108 4.67794 20.0464 -34.1446 18.2401 -22.468 TIMING: 4475800 CPU: 13450, 0.00304616/step Wall: 13450, 0.00304616/step, 0.443555 hours remaining, 207.875000 MB of memory in use. ENERGY: 4475800 712.7236 2064.1122 1947.9807 123.8298 -206639.3754 18013.5233 0.0000 0.0000 34301.6877 -149475.5180 299.5652 -183777.2057 -149367.5930 299.3929 92.5112 126.3837 556816.6276 11.0460 11.0334 PRESSURE: 4476000 164.31 -67.3237 -145.995 -67.3241 -201.011 91.924 -145.996 91.9237 23.9371 GPRESSURE: 4476000 212.538 -100.855 -144.072 -1.58144 -162.103 204.141 -67.7301 -35.2037 50.7771 PRESSAVG: 4476000 50.4334 -32.9763 -24.4648 -32.9762 -31.423 42.1342 -24.4647 42.1342 -42.9455 GPRESSAVG: 4476000 50.1946 -33.9197 -24.0998 -31.7831 -30.6713 42.4303 -23.2182 42.3773 -43.7319 TIMING: 4476000 CPU: 13450.6, 0.00302654/step Wall: 13450.6, 0.00302654/step, 0.440529 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: 4476000 720.3005 2050.8654 1918.8336 112.3905 -206260.8592 17769.2798 0.0000 0.0000 33991.9272 -149697.2622 296.8600 -183689.1894 -149596.7762 297.8400 -4.2547 33.7374 556862.5320 -7.9783 -8.0695 PRESSURE: 4476200 71.8628 -37.8083 -157.391 -37.8082 6.72726 -10.3361 -157.391 -10.3399 43.7129 GPRESSURE: 4476200 98.1903 -163.838 -155.509 78.2077 46.4543 42.2925 -106.617 -21.6841 76.3396 PRESSAVG: 4476200 94.3983 18.6038 -23.7341 18.6038 -45.6301 31.1565 -23.7341 31.1565 -40.8842 GPRESSAVG: 4476200 94.6812 18.31 -25.1499 19.1614 -45.695 29.7747 -22.6203 32.3569 -41.3838 TIMING: 4476200 CPU: 13451.2, 0.00305005/step Wall: 13451.2, 0.00305005/step, 0.443782 hours remaining, 207.875000 MB of memory in use. ENERGY: 4476200 749.6597 2049.7394 1951.7220 105.8674 -206603.8558 17984.7272 0.0000 0.0000 34230.4222 -149531.7179 298.9428 -183762.1401 -149433.5510 297.6400 40.7677 73.6614 557154.5995 2.6280 2.5341 LDB: ============= START OF LOAD BALANCING ============== 13454.6 LDB: ============== END OF LOAD BALANCING =============== 13454.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13454.6 LDB: ============= START OF LOAD BALANCING ============== 13454.9 LDB: Largest compute 4820 load 0.025042 is 21.2% of average load 0.118132 LDB: Average compute 0.001735 is 1.5% of average load 0.118132 LDB: TIME 13454.9 LOAD: AVG 0.118132 MAX 0.21884 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.344 MB LDB: TIME 13454.9 LOAD: AVG 0.118132 MAX 0.21884 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.344 MB LDB: TIME 13454.9 LOAD: AVG 0.118132 MAX 0.21884 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.344 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13454.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13454.9 PRESSURE: 4476400 -263.669 60.0704 126.443 60.071 -112.481 12.5081 126.441 12.5085 -214.118 GPRESSURE: 4476400 -246.719 99.3403 218.467 29.8335 -63.3153 -6.45987 41.7567 -0.582315 -186.095 PRESSAVG: 4476400 -2.4813 -9.7408 15.6931 -9.74065 25.0124 -50.3936 15.693 -50.3937 5.95607 GPRESSAVG: 4476400 -1.80668 -7.57632 16.8915 -11.4108 24.0672 -50.2171 15.2848 -51.6542 6.13288 TIMING: 4476400 CPU: 13451.8, 0.00311749/step Wall: 13451.8, 0.00311749/step, 0.453422 hours remaining, 208.113281 MB of memory in use. ENERGY: 4476400 805.7276 2090.1100 1928.8179 119.0828 -206149.1944 17711.1647 0.0000 0.0000 34035.6294 -149458.6620 297.2416 -183494.2913 -149366.6203 298.5222 -196.7562 -165.3764 557925.2363 9.4957 9.4645 PRESSURE: 4476600 -166.476 -59.2259 26.2613 -59.2248 -320.951 79.1431 26.2616 79.1412 -491.656 GPRESSURE: 4476600 -110.606 -92.7452 23.8575 -110.75 -306.554 78.2028 4.12979 54.5947 -461.33 PRESSAVG: 4476600 74.3868 -25.129 32.0139 -25.1291 -24.8556 -25.6063 32.014 -25.6063 -59.8906 GPRESSAVG: 4476600 73.6435 -26.4083 34.1593 -24.2004 -24.1779 -24.5378 31.4294 -23.7063 -60.0848 TIMING: 4476600 CPU: 13452.4, 0.00305083/step Wall: 13452.4, 0.00305083/step, 0.443556 hours remaining, 208.355469 MB of memory in use. ENERGY: 4476600 747.1441 2102.4843 1938.6581 102.7228 -205644.0719 17228.4831 0.0000 0.0000 34108.0884 -149416.4910 297.8744 -183524.5794 -149320.9757 299.0349 -326.3609 -292.8296 557133.3383 -3.4532 -3.5397 PRESSURE: 4476800 192.456 -254.995 96.7681 -254.995 -161.041 1.10101 96.7687 1.10127 -36.9733 GPRESSURE: 4476800 248.369 -249.356 33.433 -231.036 -127.01 -55.6993 64.0913 -61.8763 -20.4796 PRESSAVG: 4476800 24.2325 -35.8846 24.7981 -35.8846 -85.1986 26.802 24.7981 26.802 36.8083 GPRESSAVG: 4476800 24.3356 -35.5572 22.3666 -36.8466 -86.0437 27.0897 24.7359 25.6105 37.8947 TIMING: 4476800 CPU: 13453, 0.00306748/step Wall: 13453, 0.00306748/step, 0.445807 hours remaining, 208.355469 MB of memory in use. ENERGY: 4476800 748.3631 2121.5514 1925.1922 99.5563 -206487.5496 17921.9960 0.0000 0.0000 34303.4305 -149367.4602 299.5804 -183670.8907 -149272.3355 298.8748 -1.8528 33.6263 556307.3338 -8.0526 -7.9378 PRESSURE: 4477000 60.941 -93.1809 4.81164 -93.1813 -14.3209 38.5128 4.81182 38.5123 26.751 GPRESSURE: 4477000 90.2884 -56.2789 -8.46646 -106.641 31.302 23.2044 28.6146 56.9402 51.3812 PRESSAVG: 4477000 22.8741 -41.4331 -47.35 -41.4331 -25.8955 -26.6258 -47.35 -26.6257 14.0368 GPRESSAVG: 4477000 22.7871 -41.3291 -47.8206 -40.9987 -26.8933 -26.0245 -45.0172 -26.6276 14.3729 TIMING: 4477000 CPU: 13453.6, 0.00303442/step Wall: 13453.6, 0.00303442/step, 0.440834 hours remaining, 208.355469 MB of memory in use. ENERGY: 4477000 766.3173 2081.3301 1934.8521 106.0510 -206586.7920 18016.7375 0.0000 0.0000 34404.2571 -149277.2469 300.4609 -183681.5040 -149178.5697 298.8554 24.4570 57.6572 556965.7122 3.6718 3.4223 PRESSURE: 4477200 272.944 -70.3666 126.911 -70.3673 -103.981 -29.4832 126.911 -29.4837 -26.4784 GPRESSURE: 4477200 239.212 -19.2374 112.126 -103.912 3.24461 -22.7577 111.204 -39.7847 6.44835 PRESSAVG: 4477200 18.4287 4.42862 -46.8484 4.42863 3.62375 -3.81847 -46.8484 -3.81846 -18.1462 GPRESSAVG: 4477200 17.8414 3.9147 -47.1504 4.02033 5.90697 -5.74883 -48.2395 -2.13134 -19.1527 TIMING: 4477200 CPU: 13454.2, 0.0030463/step Wall: 13454.2, 0.0030463/step, 0.44239 hours remaining, 208.355469 MB of memory in use. ENERGY: 4477200 744.7049 2065.4917 1966.2435 111.9587 -206219.8626 17755.4692 0.0000 0.0000 34106.4472 -149469.5474 297.8601 -183575.9946 -149374.6315 298.1116 47.4949 82.9684 556224.8994 1.3021 1.5319 PRESSURE: 4477400 142.23 74.5635 -20.3036 74.5637 -49.7168 78.2329 -20.3034 78.2325 48.7759 GPRESSURE: 4477400 202.698 126.29 31.0711 9.87242 -28.1721 71.176 -78.7517 37.2653 61.4414 PRESSAVG: 4477400 -36.7113 -17.4481 -60.9164 -17.4481 -56.6005 -41.1095 -60.9164 -41.1095 65.6821 GPRESSAVG: 4477400 -36.0582 -20.1436 -60.1709 -15.8771 -58.0413 -40.517 -62.2541 -41.8328 66.0497 TIMING: 4477400 CPU: 13454.9, 0.00303557/step Wall: 13454.9, 0.00303557/step, 0.440664 hours remaining, 208.609375 MB of memory in use. ENERGY: 4477400 733.6361 2126.4785 1947.6196 107.0558 -206377.6259 17773.4660 0.0000 0.0000 34159.4817 -149529.8881 298.3232 -183689.3698 -149435.8426 298.5848 47.0963 78.6557 556468.9007 -9.2099 -9.3500 PRESSURE: 4477600 -273.576 68.5414 -74.3069 68.5406 -166.322 -76.9477 -74.3064 -76.9482 -148.412 GPRESSURE: 4477600 -286.868 108.426 -61.7398 39.9934 -97.6944 -91.8138 -109.45 5.70579 -109.253 PRESSAVG: 4477600 8.13955 -22.7039 -54.222 -22.7039 44.6871 -6.11097 -54.2219 -6.11101 -5.05982 GPRESSAVG: 4477600 7.32673 -20.7592 -53.503 -23.4188 46.1305 -8.22321 -52.4783 -5.95005 -5.51223 TIMING: 4477600 CPU: 13455.5, 0.00303324/step Wall: 13455.5, 0.00303324/step, 0.440156 hours remaining, 208.609375 MB of memory in use. ENERGY: 4477600 781.6785 2105.1380 1973.1284 102.6859 -206500.6592 17887.7556 0.0000 0.0000 34147.8318 -149502.4409 298.2215 -183650.2728 -149407.5308 297.9957 -196.1034 -164.6054 558645.2296 15.9223 15.9817 PRESSURE: 4477800 36.5711 8.97636 30.9792 8.97622 -48.8404 -38.0748 30.9776 -38.0749 -166.758 GPRESSURE: 4477800 40.6903 -10.1348 13.2937 2.06811 8.17689 -79.8606 -0.171959 7.17087 -138.721 PRESSAVG: 4477800 -115.863 33.9645 -37.6783 33.9643 68.8297 -11.1108 -37.6782 -11.1108 36.7253 GPRESSAVG: 4477800 -114.911 33.4655 -40.7594 34.2343 68.1353 -8.49187 -38.0097 -11.3944 36.6114 TIMING: 4477800 CPU: 13456.1, 0.00302961/step Wall: 13456.1, 0.00302961/step, 0.439461 hours remaining, 208.609375 MB of memory in use. ENERGY: 4477800 772.7561 2044.7136 1972.8155 108.8203 -206305.7622 17862.2293 0.0000 0.0000 34202.6903 -149341.7370 298.7006 -183544.4273 -149247.4356 298.6839 -59.6757 -29.9512 558335.8208 -3.4360 -3.3882 PRESSURE: 4478000 137.149 269.75 91.6289 269.75 -109.117 -57.9386 91.6292 -57.9399 78.8111 GPRESSURE: 4478000 165.552 279.461 93.2302 201.024 -38.6287 -62.9662 102.686 -67.2179 77.8811 PRESSAVG: 4478000 -54.3728 36.1704 9.92176 36.1704 87.2702 37.0328 9.92181 37.0328 7.04289 GPRESSAVG: 4478000 -54.9089 37.2481 12.5903 36.2737 88.5343 35.1598 8.17298 38.1114 6.60083 TIMING: 4478000 CPU: 13456.7, 0.00303073/step Wall: 13456.7, 0.00303073/step, 0.439456 hours remaining, 208.609375 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: 4478000 725.4589 2058.1090 1944.8873 122.7622 -206240.8567 17954.8179 0.0000 0.0000 34264.3381 -149170.4834 299.2390 -183434.8215 -149065.1801 299.2780 35.6143 68.2680 557523.5055 13.3134 13.4087 PRESSURE: 4478200 -191.909 0.635816 -225.514 0.635575 130.609 -82.1888 -225.513 -82.1877 -117.023 GPRESSURE: 4478200 -159.66 -16.8968 -191.907 -14.5671 210.306 -151.361 -143.876 -121.921 -113.388 PRESSAVG: 4478200 -37.2632 14.5132 -44.9478 14.5131 24.7029 14.9157 -44.9478 14.9157 38.6928 GPRESSAVG: 4478200 -37.5999 14.3164 -44.6646 13.2902 24.2308 15.0146 -44.8016 13.4344 38.792 TIMING: 4478200 CPU: 13457.3, 0.00304601/step Wall: 13457.3, 0.00304601/step, 0.441502 hours remaining, 208.609375 MB of memory in use. ENERGY: 4478200 732.8323 2057.8128 1942.2837 119.0578 -206071.5692 17948.4056 0.0000 0.0000 34152.2520 -149118.9249 298.2601 -183271.1769 -149016.3742 299.8469 -59.4409 -20.9140 558214.1833 8.7108 8.4743 PRESSURE: 4478400 -191.569 -6.96828 -123.146 -6.97025 -272.523 -126.396 -123.147 -126.395 -128.278 GPRESSURE: 4478400 -167.78 -41.6466 -181.02 -38.4428 -254.757 -94.5035 -66.1584 -144.106 -79.1636 PRESSAVG: 4478400 -44.488 4.21093 -36.3244 4.21091 -45.6292 -39.4014 -36.3244 -39.4012 35.3569 GPRESSAVG: 4478400 -44.474 4.19465 -37.4622 3.54921 -45.8456 -38.2786 -35.6472 -39.8416 35.3683 TIMING: 4478400 CPU: 13457.9, 0.00301309/step Wall: 13457.9, 0.00301309/step, 0.436563 hours remaining, 208.636719 MB of memory in use. ENERGY: 4478400 692.8644 2124.5177 1921.9039 108.0364 -205775.6891 17375.2437 0.0000 0.0000 34322.4564 -149230.6666 299.7465 -183553.1230 -149130.9415 299.0737 -197.4566 -167.2333 559485.8735 -18.2534 -18.3171 PRESSURE: 4478600 114.419 -48.5583 -63.7228 -48.5584 233.784 196.682 -63.7222 196.68 231.489 GPRESSURE: 4478600 154.865 63.1589 -66.6819 -90.5833 259.426 153.344 -2.6798 173.47 268.897 PRESSAVG: 4478600 -59.7372 -31.289 -65.2651 -31.289 -33.2711 -3.16252 -65.2651 -3.16249 34.6393 GPRESSAVG: 4478600 -58.9806 -31.0947 -63.3529 -28.5348 -33.6485 -3.21538 -67.0367 -0.788172 34.7102 TIMING: 4478600 CPU: 13458.5, 0.00303696/step Wall: 13458.5, 0.00303696/step, 0.439853 hours remaining, 208.636719 MB of memory in use. ENERGY: 4478600 700.9864 2117.3566 1933.3552 123.9260 -206425.6369 18146.5687 0.0000 0.0000 34309.3509 -149094.0930 299.6321 -183403.4439 -148997.0942 299.6278 193.2307 227.7293 557646.6961 -19.4563 -19.3063 PRESSURE: 4478800 -129.561 49.0985 69.2502 49.0983 288.882 -76.4736 69.2506 -76.4739 229.369 GPRESSURE: 4478800 -81.6967 -2.56655 15.1294 105.615 307.155 -115.839 102.992 -37.5465 258.175 PRESSAVG: 4478800 -66.9608 -15.2006 13.572 -15.2006 42.7488 -79.981 13.572 -79.9809 27.792 GPRESSAVG: 4478800 -68.0483 -14.6731 12.9221 -17.3855 42.6738 -78.7466 14.1456 -83.0494 28.9124 TIMING: 4478800 CPU: 13459.1, 0.00302288/step Wall: 13459.1, 0.00302288/step, 0.437646 hours remaining, 208.636719 MB of memory in use. ENERGY: 4478800 729.7369 2112.4493 1926.2036 111.6176 -206431.7850 18076.7409 0.0000 0.0000 34355.6873 -149119.3494 300.0368 -183475.0367 -149021.9273 299.5428 129.5634 161.2113 557381.1002 1.1933 1.1793 PRESSURE: 4479000 3.27452 -33.6155 -1.07112 -33.6141 94.8325 -69.5988 -1.0722 -69.6003 16.6872 GPRESSURE: 4479000 45.1167 -35.0753 -58.325 -42.2527 162.832 0.559655 -58.672 -80.2299 3.01273 PRESSAVG: 4479000 -7.36237 34.2394 1.88089 34.2395 14.4997 20.6528 1.8809 20.6527 -7.22072 GPRESSAVG: 4479000 -6.81119 34.6259 0.358357 34.1603 14.4942 19.6981 3.30204 22.0067 -8.44996 TIMING: 4479000 CPU: 13459.7, 0.00302648/step Wall: 13459.7, 0.00302648/step, 0.437999 hours remaining, 208.636719 MB of memory in use. ENERGY: 4479000 728.9952 2083.9793 1909.4434 121.3766 -206285.5234 17996.8931 0.0000 0.0000 34244.1958 -149200.6400 299.0631 -183444.8358 -149098.7942 299.8470 38.2647 70.3206 558361.3422 -0.0278 -0.2556 PRESSURE: 4479200 64.0657 18.1998 -43.0245 18.2007 113.907 -93.4992 -43.0244 -93.4978 -107.151 GPRESSURE: 4479200 95.5868 73.0662 -148.822 -112.754 152.323 -36.2463 -29.186 -63.1568 -92.4671 PRESSAVG: 4479200 35.1577 -11.8458 25.1877 -11.8459 0.916772 -43.0059 25.1876 -43.0059 -6.40034 GPRESSAVG: 4479200 36.0946 -13.8271 27.3319 -10.5309 -0.256784 -42.8525 25.2649 -43.0535 -5.99741 TIMING: 4479200 CPU: 13460.3, 0.00305702/step Wall: 13460.3, 0.00305702/step, 0.442249 hours remaining, 208.636719 MB of memory in use. ENERGY: 4479200 752.4206 2088.3795 1931.1562 114.1321 -206286.6197 17856.3543 0.0000 0.0000 34239.6388 -149304.5381 299.0233 -183544.1770 -149206.5685 299.4759 23.6071 51.8144 557320.1560 9.8914 9.9468 PRESSURE: 4479400 -316.173 -208.178 -184.662 -208.178 3.0807 56.4414 -184.664 56.4418 85.2485 GPRESSURE: 4479400 -269.959 -218.795 -278.328 -210.416 78.0404 68.0163 -116.972 113.482 60.7887 PRESSAVG: 4479400 -93.6053 -59.9949 -52.3199 -59.9949 4.07353 66.8695 -52.3199 66.8696 28.0613 GPRESSAVG: 4479400 -93.9581 -57.5456 -54.975 -62.0325 4.92385 66.379 -51.9759 66.0453 27.7667 TIMING: 4479400 CPU: 13460.9, 0.0030704/step Wall: 13460.9, 0.0030704/step, 0.444013 hours remaining, 208.636719 MB of memory in use. ENERGY: 4479400 752.7177 2084.7230 1988.3629 125.4088 -206229.4957 17836.0629 0.0000 0.0000 34187.0887 -149255.1318 298.5643 -183442.2204 -149156.3528 299.4585 -75.9478 -43.7100 557870.4922 -20.4902 -20.4225 PRESSURE: 4479600 -8.80781 13.0012 -93.5884 13.0016 99.7832 29.429 -93.5873 29.4293 89.7371 GPRESSURE: 4479600 5.62904 78.3621 -121.474 61.1024 158.349 62.3982 -28.0326 60.3959 120.581 PRESSAVG: 4479600 -30.3194 -36.0745 -37.0964 -36.0746 31.8832 61.1582 -37.0964 61.1583 6.02737 GPRESSAVG: 4479600 -29.5051 -36.8578 -34.8607 -35.2524 31.8353 62.4564 -36.9515 61.0628 5.77193 TIMING: 4479600 CPU: 13461.5, 0.00306566/step Wall: 13461.5, 0.00306566/step, 0.443158 hours remaining, 208.636719 MB of memory in use. ENERGY: 4479600 744.5849 2003.0945 1949.9966 110.6653 -206255.0390 17852.0322 0.0000 0.0000 34281.7624 -149312.9032 299.3912 -183594.6656 -149212.8540 298.8331 60.2375 94.8530 556915.8452 2.5304 2.7007 PRESSURE: 4479800 -436.96 16.3083 -1.33256 16.306 35.1282 87.0539 -1.33351 87.0544 74.6566 GPRESSURE: 4479800 -388.78 49.6735 -27.1124 25.4656 81.9371 79.7684 38.6737 175.116 86.4804 PRESSAVG: 4479800 -98.1646 11.477 -27.1167 11.477 42.9359 12.4523 -27.1167 12.4523 32.3441 GPRESSAVG: 4479800 -98.1722 11.8543 -28.1871 12.1 43.6888 10.3892 -28.1394 13.8737 31.8011 TIMING: 4479800 CPU: 13462.1, 0.00304658/step Wall: 13462.1, 0.00304658/step, 0.440231 hours remaining, 208.636719 MB of memory in use. ENERGY: 4479800 726.2906 1998.4295 1930.0854 108.0233 -206034.0906 17702.6620 0.0000 0.0000 34220.4360 -149348.1639 298.8556 -183568.5999 -149250.3375 298.6431 -109.0584 -73.4542 558612.6728 -7.6282 -7.5608 PRESSURE: 4480000 -165.503 104.834 -50.8047 104.834 -140.189 58.144 -50.8053 58.1434 -1.08804 GPRESSURE: 4480000 -162.044 22.843 -48.256 157.215 -125.515 152.482 -92.9875 67.8162 69.7936 PRESSAVG: 4480000 13.7202 4.30175 -64.5156 4.30175 8.66714 -56.377 -64.5156 -56.3771 -15.8807 GPRESSAVG: 4480000 13.2545 4.85543 -65.5276 2.63626 8.93304 -56.2559 -64.3868 -56.7262 -15.9851 TIMING: 4480000 CPU: 13462.8, 0.00304208/step Wall: 13462.8, 0.00304208/step, 0.439411 hours remaining, 208.636719 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: 4480000 698.3568 2063.0092 1964.7162 116.0151 -205926.0426 17771.2256 0.0000 0.0000 34183.2317 -149129.4879 298.5307 -183312.7196 -149030.4387 299.4613 -102.2600 -72.5884 559325.5160 2.1689 2.0675 PRESSURE: 4480200 -71.7883 -35.609 -158.57 -35.6105 -84.6298 -150.53 -158.57 -150.53 32.4048 GPRESSURE: 4480200 -17.2148 -12.3692 -237.758 -18.5335 -112.782 -192.591 -156.308 -119.813 113.139 PRESSAVG: 4480200 6.18774 42.6384 -62.1082 42.6385 22.5879 10.0056 -62.1082 10.0056 14.8837 GPRESSAVG: 4480200 6.18735 39.6368 -59.8961 45.2043 21.6368 10.6104 -62.3327 9.24263 16.4074 TIMING: 4480200 CPU: 13463.4, 0.00300762/step Wall: 13463.4, 0.00300762/step, 0.434266 hours remaining, 208.636719 MB of memory in use. ENERGY: 4480200 717.3326 2081.2291 1958.3921 116.1838 -206007.0326 17648.2105 0.0000 0.0000 34353.0518 -149132.6326 300.0137 -183485.6844 -149033.8115 299.3759 -41.3378 -5.6191 558790.8571 14.5531 14.7438 LDB: ============= START OF LOAD BALANCING ============== 13466.8 LDB: ============== END OF LOAD BALANCING =============== 13466.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13466.8 LDB: ============= START OF LOAD BALANCING ============== 13467.1 LDB: Largest compute 4820 load 0.026177 is 22.2% of average load 0.118151 LDB: Average compute 0.001743 is 1.5% of average load 0.118151 LDB: TIME 13467.1 LOAD: AVG 0.118151 MAX 0.215172 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.32 MB LDB: TIME 13467.1 LOAD: AVG 0.118151 MAX 0.215172 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.32 MB LDB: TIME 13467.1 LOAD: AVG 0.118151 MAX 0.215172 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.32 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13467.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13467.1 PRESSURE: 4480400 197.433 18.8705 88.7748 18.8699 156.72 -16.7893 88.7756 -16.7881 273.323 GPRESSURE: 4480400 274.603 -18.0819 55.3247 19.4004 151.115 -34.8234 72.4949 57.2929 311.381 PRESSAVG: 4480400 27.5513 15.1681 7.65045 15.1681 -3.0343 -34.2393 7.65051 -34.2393 -36.2049 GPRESSAVG: 4480400 27.7894 16.1181 6.56371 15.238 -1.79003 -33.5453 8.18437 -35.0168 -37.414 TIMING: 4480400 CPU: 13464, 0.0030814/step Wall: 13464, 0.0030814/step, 0.444749 hours remaining, 207.343750 MB of memory in use. ENERGY: 4480400 762.7872 2085.4115 1933.2544 112.6364 -206658.0783 18217.2395 0.0000 0.0000 34488.8658 -149057.8835 301.1998 -183546.7494 -148959.0088 299.8959 209.1586 245.6994 556573.3647 -3.8960 -3.8049 PRESSURE: 4480600 -168.636 38.8575 -110.858 38.8561 60.9844 -126.703 -110.859 -126.702 -120.999 GPRESSURE: 4480600 -159.856 129.434 -123.276 11.9602 115.625 -129.13 -104.91 -14.0674 -83.0078 PRESSAVG: 4480600 15.6073 -15.1181 -71.1052 -15.1181 -26.9238 -8.95277 -71.1052 -8.95276 6.34356 GPRESSAVG: 4480600 14.3812 -16.2932 -72.5276 -14.5134 -26.9071 -9.81116 -70.1406 -5.61814 6.87961 TIMING: 4480600 CPU: 13464.6, 0.00301792/step Wall: 13464.6, 0.00301792/step, 0.435419 hours remaining, 207.546875 MB of memory in use. ENERGY: 4480600 777.4826 2152.5528 1919.7487 111.9607 -206145.9542 17798.5624 0.0000 0.0000 34102.8925 -149282.7546 297.8290 -183385.6470 -149184.9979 299.2615 -76.2169 -42.4130 558486.3874 -1.6576 -1.8821 PRESSURE: 4480800 -183.959 70.1691 168.349 70.1698 -74.6481 73.0429 168.349 73.0433 -335.198 GPRESSURE: 4480800 -180.993 79.7911 191.789 37.7496 -100.214 32.9753 177.714 57.5479 -232.353 PRESSAVG: 4480800 -30.8367 31.4197 36.6551 31.4197 -20.9791 51.6459 36.6552 51.646 5.83896 GPRESSAVG: 4480800 -29.7086 34.0221 37.1968 31.2539 -21.6156 51.4004 36.607 48.3284 5.2733 TIMING: 4480800 CPU: 13465.2, 0.00301556/step Wall: 13465.2, 0.00301556/step, 0.434911 hours remaining, 207.546875 MB of memory in use. ENERGY: 4480800 766.1479 2009.8681 1949.8416 115.3642 -206135.7898 17605.2920 0.0000 0.0000 34287.8045 -149401.4716 299.4439 -183689.2760 -149309.6547 299.0020 -197.9349 -171.1870 557875.2660 -15.3256 -15.3503 PRESSURE: 4481000 49.3299 -224.354 -42.6973 -224.353 25.0908 -24.9198 -42.6963 -24.9202 77.9435 GPRESSURE: 4481000 108.402 -216.028 -62.5037 -117.003 61.2811 -12.7503 6.88876 -0.235589 83.5375 PRESSAVG: 4481000 19.5918 -27.326 18.4434 -27.3259 -25.7563 13.2069 18.4433 13.2067 41.7714 GPRESSAVG: 4481000 18.3962 -29.9957 18.9764 -26.5658 -24.5708 13.1036 19.1416 12.7348 41.7586 TIMING: 4481000 CPU: 13465.8, 0.00301305/step Wall: 13465.8, 0.00301305/step, 0.434381 hours remaining, 207.546875 MB of memory in use. ENERGY: 4481000 750.5825 2101.3453 1946.3324 95.6817 -206442.4455 17986.1782 0.0000 0.0000 34245.9054 -149316.4200 299.0780 -183562.3254 -149215.3124 299.7962 50.7881 84.4068 557095.7334 11.8690 11.8613 PRESSURE: 4481200 -72.8808 -6.46106 -10.5411 -6.46184 -16.5483 -14.3948 -10.5391 -14.3937 -23.543 GPRESSURE: 4481200 -37.4931 45.8365 42.2833 -22.4431 36.726 -36.7253 -45.7553 48.7523 -8.88732 PRESSAVG: 4481200 10.5267 21.9725 19.7053 21.9725 -19.1513 -37.0037 19.7053 -37.0038 50.0527 GPRESSAVG: 4481200 12.0486 23.3822 19.4707 19.3626 -20.8862 -36.171 17.7806 -36.2276 49.6903 TIMING: 4481200 CPU: 13466.4, 0.00301861/step Wall: 13466.4, 0.00301861/step, 0.435016 hours remaining, 207.546875 MB of memory in use. ENERGY: 4481200 755.5612 2111.6085 1946.7722 111.9719 -206315.7465 17785.4011 0.0000 0.0000 34331.1330 -149273.2986 299.8223 -183604.4316 -149178.4998 299.4854 -37.6574 -3.2181 556836.2310 13.8094 13.6175 PRESSURE: 4481400 54.2175 65.032 -30.9495 65.0314 71.2386 -1.48465 -30.9494 -1.48247 -186.28 GPRESSURE: 4481400 83.3853 22.2332 -27.0822 145.458 49.796 26.9913 -68.894 -7.65577 -101.898 PRESSAVG: 4481400 -7.28532 1.23433 -39.4355 1.23441 -14.6867 -43.1527 -39.4354 -43.1528 17.8001 GPRESSAVG: 4481400 -7.42184 0.409663 -39.5063 0.416824 -14.4781 -43.5676 -37.094 -41.9817 17.6926 TIMING: 4481400 CPU: 13467, 0.00303564/step Wall: 13467, 0.00303564/step, 0.4373 hours remaining, 207.546875 MB of memory in use. ENERGY: 4481400 743.0409 2120.2162 1931.8946 104.1990 -206216.8013 17823.0162 0.0000 0.0000 34382.2405 -149112.1939 300.2687 -183494.4344 -149023.2796 299.0379 -20.2746 10.4277 556839.4594 -1.3907 -1.4024 PRESSURE: 4481600 -210.525 -1.09626 91.2557 -1.09645 12.4135 202.566 91.2558 202.567 -368.661 GPRESSURE: 4481600 -174.77 -80.9028 35.7117 128.096 25.7793 143.114 3.34703 235.267 -337.278 PRESSAVG: 4481600 -18.2736 23.0431 -16.4934 23.0432 7.57173 23.9067 -16.4933 23.9068 7.01919 GPRESSAVG: 4481600 -17.2825 23.0653 -16.384 23.5899 6.82194 23.5941 -18.4026 23.6333 7.50031 TIMING: 4481600 CPU: 13467.6, 0.00304315/step Wall: 13467.6, 0.00304315/step, 0.438214 hours remaining, 207.546875 MB of memory in use. ENERGY: 4481600 759.3776 2057.0226 1937.2357 111.2300 -205647.1090 17441.1536 0.0000 0.0000 34396.7106 -148944.3788 300.3950 -183341.0894 -148852.6561 299.7952 -188.9241 -162.0895 558585.7462 -1.2276 -0.9868 PRESSURE: 4481800 81.2135 80.5916 -58.4103 80.5928 -40.5278 -77.0096 -58.4101 -77.009 254.541 GPRESSURE: 4481800 165.814 23.1171 -16.1402 151.385 -24.0088 -21.2602 -88.4993 -83.0618 243.069 PRESSAVG: 4481800 -37.591 21.8906 -25.5125 21.8906 32.8212 27.9799 -25.5126 27.9799 -28.641 GPRESSAVG: 4481800 -38.0426 22.2441 -23.3659 21.5815 33.1849 28.8986 -26.0437 28.2584 -28.9133 TIMING: 4481800 CPU: 13468.2, 0.00302692/step Wall: 13468.2, 0.00302692/step, 0.435708 hours remaining, 207.546875 MB of memory in use. ENERGY: 4481800 727.2021 2090.5857 1942.6454 110.9333 -206264.2836 18053.2432 0.0000 0.0000 34333.5726 -149006.1013 299.8436 -183339.6739 -148909.9907 300.0345 98.4090 128.2913 558797.1910 -11.1369 -11.2570 PRESSURE: 4482000 31.0037 116.438 36.2709 116.438 -60.1993 63.162 36.2709 63.1624 -86.5308 GPRESSURE: 4482000 43.3404 141.842 43.1425 100.293 -37.1804 67.7117 70.0112 19.4436 -35.9861 PRESSAVG: 4482000 49.0244 49.3924 11.3227 49.3924 11.8721 -57.4779 11.3226 -57.478 -44.7901 GPRESSAVG: 4482000 48.4137 49.7116 7.58273 50.4889 12.4391 -60.0612 13.5178 -57.0442 -44.6835 TIMING: 4482000 CPU: 13468.8, 0.00302371/step Wall: 13468.8, 0.00302371/step, 0.435078 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: 4482000 728.4944 2102.7036 1927.1835 116.4259 -205699.7132 17512.9598 0.0000 0.0000 34485.4961 -148826.4500 301.1704 -183311.9461 -148721.0496 300.1725 -38.5755 -9.9420 558571.1114 5.3688 5.3898 PRESSURE: 4482200 -30.632 -76.812 -151.504 -76.8125 -58.6094 184.453 -151.504 184.454 -5.43155 GPRESSURE: 4482200 -35.054 -81.204 -171.492 -39.9149 -64.5932 99.3896 -136.494 189.354 91.193 PRESSAVG: 4482200 -8.35945 17.4974 15.2683 17.4975 31.3514 31.3619 15.2683 31.3621 19.9354 GPRESSAVG: 4482200 -8.93564 20.5694 16.3384 16.8129 31.9371 31.9857 13.8444 30.2304 20.393 TIMING: 4482200 CPU: 13469.4, 0.00301511/step Wall: 13469.4, 0.00301511/step, 0.433673 hours remaining, 207.546875 MB of memory in use. ENERGY: 4482200 754.3062 2081.5951 1959.4835 110.3568 -205887.8487 17733.3294 0.0000 0.0000 34352.3790 -148896.3988 300.0079 -183248.7778 -148799.1388 300.1568 -31.5577 -2.8180 557871.3419 14.3091 14.4648 PRESSURE: 4482400 -20.7295 56.0908 -25.951 56.0924 254.794 -170.557 -25.951 -170.558 18.6739 GPRESSURE: 4482400 33.6609 5.33612 -19.7126 26.4031 230.634 -87.2341 -67.0163 -167.681 93.5557 PRESSAVG: 4482400 -19.1834 22.1119 -17.4283 22.1119 -84.7902 -15.2861 -17.4283 -15.286 100.079 GPRESSAVG: 4482400 -18.404 18.8019 -15.9772 22.6528 -84.3493 -13.7188 -19.1101 -14.3094 99.4922 TIMING: 4482400 CPU: 13470, 0.00302161/step Wall: 13470, 0.00302161/step, 0.43444 hours remaining, 207.546875 MB of memory in use. ENERGY: 4482400 747.4188 2095.0702 1939.6547 117.1312 -206027.7757 17799.2691 0.0000 0.0000 34453.7692 -148875.4627 300.8933 -183329.2318 -148778.0138 300.8220 84.2462 119.2835 557669.9740 -1.2981 -1.0870 PRESSURE: 4482600 48.4445 64.1031 200.699 64.103 246.559 110.433 200.698 110.433 33.7978 GPRESSURE: 4482600 85.7617 169.815 302.148 -11.4095 251.275 103.71 92.308 85.1457 79.4956 PRESSAVG: 4482600 -45.5079 22.4036 36.56 22.4035 28.9263 -10.5975 36.56 -10.5974 34.721 GPRESSAVG: 4482600 -45.3763 23.4139 33.8052 21.4862 27.6634 -8.5337 41.2854 -13.0689 36.5914 TIMING: 4482600 CPU: 13470.6, 0.00302501/step Wall: 13470.6, 0.00302501/step, 0.434762 hours remaining, 207.546875 MB of memory in use. ENERGY: 4482600 712.7960 2107.4779 1951.0499 119.6069 -205895.8302 17843.9783 0.0000 0.0000 34289.3347 -148871.5866 299.4573 -183160.9213 -148776.4536 300.6705 109.6005 138.8441 558648.9649 6.0465 6.2928 PRESSURE: 4482800 12.5925 -59.3951 -139.027 -59.3945 -35.0254 -179.006 -139.028 -179.005 174.99 GPRESSURE: 4482800 90.9345 89.4301 -161.325 -120.175 18.8175 -192.268 -115.15 -118.513 129.126 PRESSAVG: 4482800 -15.68 62.1576 -15.406 62.1576 -34.3023 -11.4993 -15.406 -11.4993 81.3459 GPRESSAVG: 4482800 -16.073 60.6913 -14.5028 63.245 -32.8301 -12.3103 -15.6982 -11.372 80.444 TIMING: 4482800 CPU: 13471.2, 0.00300834/step Wall: 13471.2, 0.00300834/step, 0.432198 hours remaining, 207.546875 MB of memory in use. ENERGY: 4482800 719.3029 2107.9671 1941.1951 115.3819 -205552.0830 17647.6357 0.0000 0.0000 34273.7366 -148746.8638 299.3211 -183020.6003 -148656.0532 300.0477 50.8522 79.6260 559367.0388 10.4545 10.5136 PRESSURE: 4483000 -245.861 -20.8357 11.2343 -20.8351 45.0189 63.393 11.2332 63.3938 52.7595 GPRESSURE: 4483000 -230.523 -13.4598 173.553 -11.7468 115.31 98.4514 -37.9547 1.68542 72.384 PRESSAVG: 4483000 25.4932 12.6225 42.968 12.6226 -25.7463 22.9856 42.9681 22.9856 -4.03415 GPRESSAVG: 4483000 24.5942 12.6253 43.7904 11.2581 -25.5726 20.6533 41.5903 25.6911 -3.27215 TIMING: 4483000 CPU: 13471.8, 0.00302173/step Wall: 13471.8, 0.00302173/step, 0.433953 hours remaining, 207.546875 MB of memory in use. ENERGY: 4483000 747.4784 2102.5110 1930.9337 108.1138 -205857.6987 17786.3986 0.0000 0.0000 34323.1581 -148859.1051 299.7527 -183182.2632 -148759.9569 299.8743 -49.3608 -14.2760 559479.5364 -1.4291 -1.4169 PRESSURE: 4483200 -96.0441 -54.1172 82.3419 -54.118 -12.1913 -89.6029 82.3415 -89.6011 -252.297 GPRESSURE: 4483200 -106.162 29.4051 103.79 -2.2386 58.7781 -59.2074 59.1818 -70.8839 -209.295 PRESSAVG: 4483200 -99.0559 48.2533 -6.01359 48.2533 96.8387 7.8883 -6.0136 7.88833 -13.7323 GPRESSAVG: 4483200 -97.8825 49.4349 -9.08597 49.9368 96.5418 8.53452 -5.84953 7.10611 -14.6177 TIMING: 4483200 CPU: 13472.4, 0.00302531/step Wall: 13472.4, 0.00302531/step, 0.4343 hours remaining, 207.546875 MB of memory in use. ENERGY: 4483200 745.2332 2113.1211 1941.6376 106.7322 -205432.4446 17553.1792 0.0000 0.0000 34112.7398 -148859.8016 297.9150 -182972.5414 -148764.4653 299.4375 -120.1775 -85.5597 559368.4966 -5.3165 -5.3195 PRESSURE: 4483400 -111.064 132.672 -101.357 132.674 242.499 -33.0636 -101.356 -33.0643 123.434 GPRESSURE: 4483400 -73.9628 129.143 -102.747 86.1281 207.937 20.0653 -66.6151 -127.964 215.122 PRESSAVG: 4483400 -62.9403 -7.70811 -13.394 -7.70805 70.8724 17.2517 -13.3939 17.2516 2.9151 GPRESSAVG: 4483400 -63.4349 -9.06469 -11.6068 -7.30131 69.1795 17.29 -15.1238 16.4751 5.06115 TIMING: 4483400 CPU: 13473, 0.00304663/step Wall: 13473, 0.00304663/step, 0.437192 hours remaining, 207.546875 MB of memory in use. ENERGY: 4483400 766.4495 2051.8366 1914.1330 112.0623 -206022.0465 17888.0839 0.0000 0.0000 34379.3130 -148910.1682 300.2431 -183289.4812 -148821.6921 299.5310 84.9560 116.3656 559094.5855 3.6157 3.6019 PRESSURE: 4483600 84.9074 -122.233 7.25691 -122.234 194.894 -59.0204 7.25599 -59.0198 71.2057 GPRESSURE: 4483600 186.684 -133.825 -15.2423 -80.006 213.432 61.5442 22.9904 -33.577 49.6819 PRESSAVG: 4483600 -5.85685 27.9937 -18.7254 27.9937 16.436 -36.6686 -18.7254 -36.6687 0.53736 GPRESSAVG: 4483600 -6.15206 29.14 -18.7428 28.3633 17.8283 -35.5722 -17.5753 -35.9184 -0.502714 TIMING: 4483600 CPU: 13473.7, 0.00302954/step Wall: 13473.7, 0.00302954/step, 0.434571 hours remaining, 207.546875 MB of memory in use. ENERGY: 4483600 764.9328 2098.8043 1925.4056 112.8206 -206300.7073 18044.8241 0.0000 0.0000 34306.2426 -149047.6774 299.6049 -183353.9200 -148959.9140 299.6198 117.0023 149.9328 558648.6112 3.7055 3.7245 PRESSURE: 4483800 -111.545 218.429 -25.4747 218.43 -37.0694 42.1472 -25.4742 42.148 82.8887 GPRESSURE: 4483800 -123.47 113.873 -54.5584 193.945 21.2521 38.7392 -56.7211 57.7999 130.602 PRESSAVG: 4483800 -15.7818 33.2075 26.5382 33.2075 -5.21412 -51.0277 26.5383 -51.0276 -23.4779 GPRESSAVG: 4483800 -15.3945 32.2314 27.9389 33.1619 -4.45241 -51.0394 25.0711 -52.0788 -24.5091 TIMING: 4483800 CPU: 13474.3, 0.00302311/step Wall: 13474.3, 0.00302311/step, 0.43348 hours remaining, 207.546875 MB of memory in use. ENERGY: 4483800 764.1702 2082.4751 1923.9869 104.6715 -206058.1377 17822.8453 0.0000 0.0000 34238.3765 -149121.6123 299.0123 -183359.9888 -149021.9166 299.5548 -21.9086 9.4613 557719.0950 -14.8246 -14.7854 PRESSURE: 4484000 -92.4815 -113.766 176.89 -113.765 73.6586 70.5085 176.89 70.51 16.3797 GPRESSURE: 4484000 -53.9845 -179.873 101.718 5.76523 110.282 -51.6493 171.665 155.67 35.7813 PRESSAVG: 4484000 -1.95826 9.48849 4.40037 9.48841 -13.8209 -45.8104 4.40031 -45.8104 -30.1658 GPRESSAVG: 4484000 -2.22665 7.98188 1.86091 10.0983 -13.0638 -48.805 3.98201 -44.5689 -30.964 TIMING: 4484000 CPU: 13474.9, 0.00303272/step Wall: 13474.9, 0.00303272/step, 0.434689 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: 4484000 742.8343 2057.1864 1953.8892 104.3541 -205976.7126 17663.6207 0.0000 0.0000 34340.8407 -149113.9872 299.9071 -183454.8279 -149020.8956 298.9647 -0.8144 30.6930 556740.3739 -15.3150 -15.4181 PRESSURE: 4484200 72.0723 -156.806 -148.21 -156.807 -208.357 -18.004 -148.21 -18.0024 -176.432 GPRESSURE: 4484200 111.814 -201.466 -106.009 -155.424 -150.092 76.9257 -194.084 -101.036 -172.057 PRESSAVG: 4484200 19.9892 -32.8879 26.6523 -32.8879 28.3234 -28.6268 26.6524 -28.6266 7.63686 GPRESSAVG: 4484200 19.9974 -33.1163 26.4055 -32.3726 27.1313 -27.1583 27.8275 -29.4912 8.1669 TIMING: 4484200 CPU: 13475.5, 0.00301544/step Wall: 13475.5, 0.00301544/step, 0.432046 hours remaining, 207.546875 MB of memory in use. ENERGY: 4484200 730.6301 2109.3083 1921.5722 113.1128 -205932.5632 17641.0766 0.0000 0.0000 34033.0997 -149383.7636 297.2195 -183416.8632 -149282.9756 299.7263 -104.2388 -70.1118 556855.7146 18.6498 18.4319 LDB: ============= START OF LOAD BALANCING ============== 13478.9 LDB: ============== END OF LOAD BALANCING =============== 13478.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13478.9 LDB: ============= START OF LOAD BALANCING ============== 13479.2 LDB: Largest compute 4820 load 0.024917 is 21.1% of average load 0.118090 LDB: Average compute 0.001741 is 1.5% of average load 0.118090 LDB: TIME 13479.2 LOAD: AVG 0.11809 MAX 0.212424 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 13479.2 LOAD: AVG 0.11809 MAX 0.212424 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: TIME 13479.2 LOAD: AVG 0.11809 MAX 0.212424 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13479.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13479.2 PRESSURE: 4484400 116.236 87.3757 -44.8031 87.3744 79.1279 16.9128 -44.8027 16.9127 -5.59188 GPRESSURE: 4484400 141.389 60.2463 -20.3284 53.2261 115.508 108.687 -114.132 -1.43182 47.8523 PRESSAVG: 4484400 26.1929 38.2069 7.35566 38.2069 -4.22278 -14.5605 7.35565 -14.5605 -60.4254 GPRESSAVG: 4484400 25.5597 37.1345 10.2626 38.4999 -3.79515 -14.7292 5.99965 -14.4142 -59.9752 TIMING: 4484400 CPU: 13476.1, 0.00307056/step Wall: 13476.1, 0.00307056/step, 0.439773 hours remaining, 209.089844 MB of memory in use. ENERGY: 4484400 746.1988 2068.9198 1961.2075 126.9557 -206343.6056 17898.7682 0.0000 0.0000 34175.0519 -149366.5036 298.4592 -183541.5555 -149269.8179 298.4007 63.2574 101.5828 558104.1185 -12.8184 -12.7369 PRESSURE: 4484600 261.79 -52.0508 114.131 -52.0515 -110.516 -47.6314 114.131 -47.6319 15.6456 GPRESSURE: 4484600 278.583 -80.5991 17.6853 -46.6338 -69.7425 -2.65139 111.554 -107.75 41.0238 PRESSAVG: 4484600 8.83867 -20.7205 -15.2909 -20.7206 -13.0667 19.4632 -15.2908 19.4633 60.281 GPRESSAVG: 4484600 9.20597 -17.6941 -16.1665 -22.5815 -13.5858 21.4185 -13.9904 19.3532 60.5854 TIMING: 4484600 CPU: 13476.7, 0.00299005/step Wall: 13476.7, 0.00299005/step, 0.428076 hours remaining, 209.160156 MB of memory in use. ENERGY: 4484600 754.2767 2104.2537 1940.5127 117.9296 -206236.7733 17990.7609 0.0000 0.0000 34163.0727 -149165.9670 298.3546 -183329.0397 -149071.5121 298.2524 55.6398 83.2881 556679.5968 18.6843 18.7352 PRESSURE: 4484800 -230.039 -169.249 37.5707 -169.25 -36.7964 147.132 37.5702 147.132 -32.3951 GPRESSURE: 4484800 -126.795 -97.4981 99.1505 -121.501 -16.3775 161.983 -21.7516 131.296 -58.7348 PRESSAVG: 4484800 -26.5761 75.7269 43.9831 75.7269 -7.71489 51.7711 43.983 51.7711 67.2544 GPRESSAVG: 4484800 -26.074 75.9172 42.5146 75.8283 -7.7132 49.6932 45.3807 52.5737 66.7626 TIMING: 4484800 CPU: 13477.3, 0.00300886/step Wall: 13477.3, 0.00300887/step, 0.430602 hours remaining, 209.160156 MB of memory in use. ENERGY: 4484800 710.5691 2021.8370 1922.7393 116.2383 -205795.9385 17561.8299 0.0000 0.0000 34432.9693 -149029.7557 300.7117 -183462.7249 -148931.6052 299.0886 -99.7435 -67.3025 558770.9644 10.9878 10.9918 PRESSURE: 4485000 -172.07 119.481 -34.9201 119.483 -4.71999 154.596 -34.9214 154.596 -218.989 GPRESSURE: 4485000 -154.355 48.1254 -95.6378 177.051 54.9726 94.5675 -44.7206 141.617 -198.761 PRESSAVG: 4485000 -27.628 26.3434 -21.6616 26.3433 75.5049 1.83559 -21.6617 1.83555 -62.9935 GPRESSAVG: 4485000 -28.5143 25.9738 -20.5078 26.3313 76.1026 4.42044 -23.4637 -1.04857 -62.9698 TIMING: 4485000 CPU: 13477.9, 0.00306036/step Wall: 13477.9, 0.00306036/step, 0.437801 hours remaining, 209.160156 MB of memory in use. ENERGY: 4485000 769.6070 2124.8124 1927.4153 107.4067 -205691.2058 17588.8841 0.0000 0.0000 34201.8370 -148971.2433 298.6931 -183173.0802 -148870.0251 299.2197 -131.9264 -99.3809 560321.5217 -5.0388 -5.1272 PRESSURE: 4485200 -216.295 18.3918 -7.35077 18.3923 -45.4158 157.081 -7.35221 157.081 179.947 GPRESSURE: 4485200 -102.348 81.7471 -39.2033 -67.057 -15.7995 164.09 -50.0724 191.823 143.206 PRESSAVG: 4485200 -43.3364 -20.1471 -44.7667 -20.147 43.8658 14.2234 -44.7666 14.2235 -11.8848 GPRESSAVG: 4485200 -43.2228 -20.7887 -44.9122 -20.2199 44.1524 11.0972 -44.7856 17.4416 -12.2517 TIMING: 4485200 CPU: 13478.5, 0.00305761/step Wall: 13478.5, 0.00305761/step, 0.437238 hours remaining, 209.160156 MB of memory in use. ENERGY: 4485200 744.6816 2080.0496 1956.9239 113.9647 -205669.1298 17690.3721 0.0000 0.0000 34269.4743 -148813.6637 299.2838 -183083.1380 -148719.9103 298.8921 -27.2547 8.3528 560674.2578 -3.7851 -3.7741 PRESSURE: 4485400 181.995 44.0393 -55.9277 44.0399 106.999 -125.167 -55.9273 -125.166 -134.763 GPRESSURE: 4485400 152.178 110.147 -44.1778 -53.1219 148.103 -120.35 -104.497 -104.228 -40.7082 PRESSAVG: 4485400 -25.167 -18.4706 -37.7201 -18.4707 56.6228 27.4338 -37.7202 27.4338 7.31021 GPRESSAVG: 4485400 -24.652 -20.7947 -37.1315 -16.645 55.4025 30.7241 -38.1559 25.7985 8.09593 TIMING: 4485400 CPU: 13479.1, 0.00304696/step Wall: 13479.1, 0.00304696/step, 0.435546 hours remaining, 209.160156 MB of memory in use. ENERGY: 4485400 721.3614 2054.3404 1935.8707 114.8360 -205716.0310 17827.4198 0.0000 0.0000 34150.1725 -148912.0302 298.2420 -183062.2027 -148808.5348 299.8676 51.4106 86.5243 558130.0597 12.9220 12.9488 PRESSURE: 4485600 -107.054 21.9114 2.41014 21.911 178.416 88.0914 2.41032 88.0923 39.7078 GPRESSURE: 4485600 -54.7163 -27.5181 -10.2796 51.9294 208.031 104.03 -32.4243 79.8045 58.6661 PRESSAVG: 4485600 -27.9352 2.29851 -63.7545 2.29855 67.9435 42.018 -63.7545 42.018 -19.1519 GPRESSAVG: 4485600 -28.3356 3.25174 -62.803 2.59847 68.3006 39.4476 -62.5385 43.2373 -19.4543 TIMING: 4485600 CPU: 13479.7, 0.0030504/step Wall: 13479.7, 0.0030504/step, 0.435868 hours remaining, 209.160156 MB of memory in use. ENERGY: 4485600 690.6628 2093.3920 1948.0602 121.3029 -205451.7187 17577.7521 0.0000 0.0000 34087.7465 -148932.8022 297.6968 -183020.5487 -148830.4946 298.9648 37.0231 70.6601 557140.5698 6.9521 6.8369 PRESSURE: 4485800 50.5741 10.2558 208.966 10.2541 179.63 -78.3039 208.964 -78.3028 -19.0779 GPRESSURE: 4485800 113.728 19.0491 156.818 58.9135 187.564 -48.9946 126.084 -66.7934 27.6343 PRESSAVG: 4485800 17.5238 8.73311 -12.6746 8.73302 29.8472 28.3714 -12.6746 28.3714 -26.7233 GPRESSAVG: 4485800 17.4124 9.61322 -12.3794 6.20899 29.7519 31.1868 -12.5956 27.2801 -26.9449 TIMING: 4485800 CPU: 13480.3, 0.00304396/step Wall: 13480.3, 0.00304396/step, 0.434778 hours remaining, 209.160156 MB of memory in use. ENERGY: 4485800 739.1846 2047.5618 1959.6252 100.7464 -205950.7251 17859.7076 0.0000 0.0000 34286.3920 -148957.5075 299.4316 -183243.8995 -148862.8204 299.1772 70.3755 109.6422 558349.4014 6.8826 6.7398 PRESSURE: 4486000 -13.8034 25.7065 -71.8859 25.7062 178.97 80.0502 -71.8857 80.0512 66.6135 GPRESSURE: 4486000 42.0293 58.0246 -88.3714 -6.58468 178.554 68.2843 -50.3323 104.494 119.99 PRESSAVG: 4486000 27.022 16.9567 -60.7127 16.9567 28.5774 -6.21575 -60.7126 -6.2158 -60.9065 GPRESSAVG: 4486000 25.3709 18.7344 -60.2018 16.5416 30.0418 -7.84587 -60.9178 -3.53044 -60.5544 TIMING: 4486000 CPU: 13480.9, 0.00306142/step Wall: 13480.9, 0.00306142/step, 0.437103 hours remaining, 209.160156 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: 4486000 732.4499 2083.3362 1935.8549 120.9492 -205989.4013 17737.7664 0.0000 0.0000 34430.7117 -148948.3329 300.6920 -183379.0446 -148854.4360 299.9933 77.2601 113.5245 556051.9352 -1.7690 -1.7139 PRESSURE: 4486200 -50.4139 -124.791 -140.469 -124.79 16.6632 141.479 -140.469 141.481 -35.3052 GPRESSURE: 4486200 -28.8546 -100.164 -65.7702 -71.5605 64.9196 84.3632 -207.48 161.746 9.44266 PRESSAVG: 4486200 21.8227 0.835793 -37.9676 0.835716 16.852 -6.45007 -37.9676 -6.45002 -65.2502 GPRESSAVG: 4486200 22.9523 0.816998 -39.2752 1.94261 15.482 -5.44153 -36.827 -7.73057 -65.285 TIMING: 4486200 CPU: 13481.5, 0.00303051/step Wall: 13481.5, 0.00303051/step, 0.43252 hours remaining, 209.160156 MB of memory in use. ENERGY: 4486200 711.4440 2058.2493 1946.1818 109.1049 -205654.7001 17577.0457 0.0000 0.0000 34438.0475 -148814.6269 300.7560 -183252.6744 -148721.5620 300.4449 -23.0186 15.1692 556445.1580 -8.8585 -8.9502 PRESSURE: 4486400 -155.072 67.2812 -20.8836 67.2838 -125.18 87.8182 -20.8837 87.8181 -231.076 GPRESSURE: 4486400 -119.123 118.251 32.8686 82.8888 -96.6738 30.0366 -102.444 74.6114 -201.114 PRESSAVG: 4486400 101.123 -32.5535 20.729 -32.5535 16.6632 -9.86698 20.7291 -9.86695 -66.9561 GPRESSAVG: 4486400 101.09 -33.5019 22.3897 -32.9771 16.693 -11.4726 17.0785 -9.26266 -66.6767 TIMING: 4486400 CPU: 13482.2, 0.00303332/step Wall: 13482.2, 0.00303332/step, 0.432753 hours remaining, 209.160156 MB of memory in use. ENERGY: 4486400 741.8534 2053.7416 1923.5278 97.3864 -205617.5799 17538.4932 0.0000 0.0000 34380.4728 -148882.1049 300.2532 -183262.5777 -148786.2139 300.3319 -170.4428 -138.9702 556770.1818 16.9434 17.0355 PRESSURE: 4486600 -185.808 116.393 24.7746 116.392 44.6676 -94.8518 24.7745 -94.8521 -231.495 GPRESSURE: 4486600 -164.582 95.0114 -44.4054 210.596 99.3554 -138.964 110.781 -66.7041 -219.425 PRESSAVG: 4486600 21.0697 15.6439 77.3005 15.6439 -17.1771 3.33444 77.3004 3.33443 -31.0883 GPRESSAVG: 4486600 20.9626 14.1231 77.4899 15.6647 -16.6771 4.13626 79.3792 2.72463 -31.514 TIMING: 4486600 CPU: 13482.8, 0.003024/step Wall: 13482.8, 0.003024/step, 0.431256 hours remaining, 209.160156 MB of memory in use. ENERGY: 4486600 751.7564 2070.9672 1932.5570 111.2558 -205830.1589 17598.3400 0.0000 0.0000 34429.9638 -148935.3187 300.6854 -183365.2825 -148839.4999 299.7641 -124.2117 -94.8838 556566.7857 -9.0653 -9.0761 PRESSURE: 4486800 154.255 -15.3367 -48.6023 -15.3359 -91.3979 -49.6322 -48.6014 -49.6305 189.708 GPRESSURE: 4486800 183.347 9.02502 -39.9468 -2.51958 -113.17 -37.0855 -35.7607 -13.7702 281.599 PRESSAVG: 4486800 9.75493 -16.2144 -8.77726 -16.2144 -36.8564 9.94303 -8.7773 9.94298 13.5629 GPRESSAVG: 4486800 9.60706 -14.3124 -9.09614 -16.05 -37.3766 8.56406 -9.89819 10.4521 14.2123 TIMING: 4486800 CPU: 13483.4, 0.0030236/step Wall: 13483.4, 0.0030236/step, 0.431031 hours remaining, 209.160156 MB of memory in use. ENERGY: 4486800 692.5281 2070.3853 1929.5952 119.8640 -205933.0707 17801.8701 0.0000 0.0000 34337.7026 -148981.1255 299.8797 -183318.8280 -148881.6734 300.2767 84.1881 117.2588 557699.5544 -4.5128 -4.5191 PRESSURE: 4487000 138.878 -133.3 -35.4704 -133.3 29.2518 -21.5878 -35.4705 -21.5884 198.694 GPRESSURE: 4487000 169.298 -40.9083 3.98729 -165.262 32.7788 46.2191 7.67175 -32.3934 269.62 PRESSAVG: 4487000 -13.3805 -7.86349 -13.5241 -7.86346 -25.9343 12.0946 -13.5242 12.0947 30.5252 GPRESSAVG: 4487000 -13.2749 -9.30647 -14.6138 -8.14894 -25.0403 11.269 -11.313 12.292 29.7438 TIMING: 4487000 CPU: 13484, 0.00304835/step Wall: 13484, 0.00304835/step, 0.434389 hours remaining, 209.160156 MB of memory in use. ENERGY: 4487000 743.7986 2029.6495 1938.8575 105.5523 -206475.5720 17995.8836 0.0000 0.0000 34520.7918 -149141.0387 301.4787 -183661.8305 -149039.7152 299.3408 122.2743 157.2323 555547.0006 -2.9299 -2.8571 PRESSURE: 4487200 102.978 58.5387 144.216 58.5378 -207.322 -61.8806 144.215 -61.8814 -176.913 GPRESSURE: 4487200 101.678 35.2764 271.038 59.2182 -178.063 -37.8126 143.271 -69.8226 -103.26 PRESSAVG: 4487200 -27.4578 -31.643 -16.1198 -31.643 -26.2824 -23.8022 -16.1198 -23.8022 51.4914 GPRESSAVG: 4487200 -27.7167 -31.8704 -12.5965 -30.2298 -26.7392 -21.56 -17.9937 -23.244 52.0852 TIMING: 4487200 CPU: 13484.6, 0.00306432/step Wall: 13484.6, 0.00306432/step, 0.436495 hours remaining, 209.160156 MB of memory in use. ENERGY: 4487200 745.0493 2066.5905 1917.9824 89.8761 -205784.3549 17535.2396 0.0000 0.0000 34508.7522 -148920.8647 301.3735 -183429.6169 -148819.6549 299.5662 -93.7521 -59.8818 557946.3830 -0.7496 -0.7902 PRESSURE: 4487400 103.962 -89.6724 73.7188 -89.6735 -203.831 -34.9636 73.719 -34.9624 -75.1607 GPRESSURE: 4487400 97.3547 35.3341 125.345 -112.004 -126.688 5.31129 53.4249 26.7709 -61.4989 PRESSAVG: 4487400 49.129 0.249751 52.4721 0.249868 14.9669 35.2876 52.4721 35.2876 -10.2347 GPRESSAVG: 4487400 49.3991 0.206035 48.2524 -1.03027 14.7254 33.6156 52.3232 35.7955 -9.95582 TIMING: 4487400 CPU: 13485.2, 0.00303803/step Wall: 13485.2, 0.00303803/step, 0.432581 hours remaining, 209.160156 MB of memory in use. ENERGY: 4487400 764.5664 2076.4900 1932.7177 114.7448 -205887.6442 17662.3677 0.0000 0.0000 34548.0462 -148788.7114 301.7167 -183336.7576 -148690.4169 300.8930 -58.3432 -30.2773 556998.4873 17.9537 18.0562 PRESSURE: 4487600 101.558 86.6386 -110.778 86.639 -4.75244 8.57188 -110.778 8.57021 100.87 GPRESSURE: 4487600 122.382 82.6064 -100.563 120.46 2.9258 -32.4445 -163.403 -29.7938 163.893 PRESSAVG: 4487600 -11.9553 -58.2064 58.0882 -58.2064 -10.3247 19.4234 58.0882 19.4235 -25.8119 GPRESSAVG: 4487600 -12.0955 -58.9354 60.8919 -56.7337 -9.19076 19.6359 60.105 18.4646 -26.6513 TIMING: 4487600 CPU: 13485.8, 0.00302165/step Wall: 13485.8, 0.00302165/step, 0.430081 hours remaining, 209.160156 MB of memory in use. ENERGY: 4487600 732.4776 2066.7725 1956.9023 116.8092 -205923.2624 17802.4931 0.0000 0.0000 34608.0157 -148639.7921 302.2404 -183247.8077 -148541.7897 300.8292 65.8920 96.4004 556990.2496 -16.0306 -15.9792 PRESSURE: 4487800 -292.949 11.7851 64.1973 11.7849 -294.411 5.04829 64.197 5.04944 86.0608 GPRESSURE: 4487800 -235.415 71.5965 14.363 6.10645 -275.638 16.8705 118.361 68.8389 102.968 PRESSAVG: 4487800 -28.0931 -15.3755 -15.8193 -15.3756 -3.53591 40.3282 -15.8193 40.328 38.8325 GPRESSAVG: 4487800 -27.2656 -15.3931 -16.7089 -16.3626 -5.2811 40.6066 -15.8028 38.7205 38.9871 TIMING: 4487800 CPU: 13486.4, 0.00302281/step Wall: 13486.4, 0.00302281/step, 0.430079 hours remaining, 209.160156 MB of memory in use. ENERGY: 4487800 755.5477 2138.2088 1918.5716 109.4134 -205619.2750 17511.0058 0.0000 0.0000 34352.9668 -148833.5610 300.0130 -183186.5278 -148741.3349 300.8258 -167.0996 -136.0282 557910.6127 2.4011 2.1468 PRESSURE: 4488000 135.321 -46.6442 10.8742 -46.6449 -15.3364 -160.196 10.8743 -160.196 -57.5556 GPRESSURE: 4488000 162.319 -77.632 -32.5163 -9.68137 2.44857 -127.455 -38.0623 -141.227 -6.43394 PRESSAVG: 4488000 53.7127 -9.60659 42.8209 -9.60654 -20.9864 -36.1519 42.8209 -36.152 0.288464 GPRESSAVG: 4488000 52.2392 -10.5205 42.4843 -8.68284 -20.3075 -35.0486 43.5468 -36.585 1.42973 TIMING: 4488000 CPU: 13487, 0.0030383/step Wall: 13487, 0.0030383/step, 0.432114 hours remaining, 209.160156 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: 4488000 746.7136 2096.3035 1949.0461 110.2893 -206081.2806 17923.6747 0.0000 0.0000 34434.8303 -148820.4231 300.7279 -183255.2534 -148730.2523 300.8950 20.8096 52.7780 557741.9847 11.0049 11.1205 PRESSURE: 4488200 -177.107 -27.8843 -37.4785 -27.8851 -232.859 -49.37 -37.4793 -49.3675 -80.1484 GPRESSURE: 4488200 -137.765 -42.0078 -18.7634 -100.864 -196.701 -28.9544 50.3836 -57.3885 -48.3033 PRESSAVG: 4488200 71.6284 26.8179 19.9649 26.8178 -25.0418 -43.8366 19.9648 -43.8367 -45.3215 GPRESSAVG: 4488200 72.7143 28.715 18.462 23.2495 -25.6274 -44.8171 20.4957 -41.7612 -45.5413 TIMING: 4488200 CPU: 13487.6, 0.00303633/step Wall: 13487.6, 0.00303633/step, 0.431665 hours remaining, 209.160156 MB of memory in use. ENERGY: 4488200 772.1854 2079.2970 1924.5700 109.1851 -205746.9352 17564.2091 0.0000 0.0000 34549.1737 -148748.3151 301.7265 -183297.4888 -148650.6396 301.5534 -163.3715 -127.5899 556875.2338 0.4217 0.5152 LDB: ============= START OF LOAD BALANCING ============== 13491.1 LDB: ============== END OF LOAD BALANCING =============== 13491.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13491.1 LDB: ============= START OF LOAD BALANCING ============== 13491.4 LDB: Largest compute 4820 load 0.025854 is 21.9% of average load 0.118093 LDB: Average compute 0.001739 is 1.5% of average load 0.118093 LDB: TIME 13491.4 LOAD: AVG 0.118093 MAX 0.215196 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.523 MB LDB: TIME 13491.4 LOAD: AVG 0.118093 MAX 0.215196 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.527 MB LDB: TIME 13491.4 LOAD: AVG 0.118093 MAX 0.215196 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.527 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13491.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13491.4 PRESSURE: 4488400 -253.343 -97.6023 -2.31073 -97.6024 58.2957 -151.625 -2.31097 -151.624 -219.434 GPRESSURE: 4488400 -153.697 -129.182 -86.1218 -88.3193 23.6995 -121.408 58.5486 -89.3572 -189.205 PRESSAVG: 4488400 89.3124 30.2563 18.8157 30.2563 2.01956 10.6525 18.8158 10.6525 -69.5522 GPRESSAVG: 4488400 88.1811 28.6294 20.8803 33.1506 1.69877 11.8523 17.0136 9.62642 -67.9494 TIMING: 4488400 CPU: 13488.2, 0.00309493/step Wall: 13488.2, 0.00309493/step, 0.439824 hours remaining, 208.832031 MB of memory in use. ENERGY: 4488400 725.5398 2076.1025 1982.3312 108.8144 -205535.8128 17553.1054 0.0000 0.0000 34244.6435 -148845.2762 299.0670 -183089.9196 -148755.2196 300.9412 -138.1604 -106.4010 559602.0900 7.2599 7.3102 PRESSURE: 4488600 -137.737 117.309 64.8809 117.309 -107.763 -62.852 64.8825 -62.851 -126.398 GPRESSURE: 4488600 -75.4963 126.25 35.6158 60.9501 -17.0245 -36.5058 105.229 -40.5477 -178.537 PRESSAVG: 4488600 -12.0691 -0.341593 -29.2636 -0.341603 7.71523 -6.59069 -29.2636 -6.59065 -11.414 GPRESSAVG: 4488600 -11.9881 1.15809 -31.037 -1.4052 8.61319 -6.0109 -28.7663 -5.93215 -13.2616 TIMING: 4488600 CPU: 13488.8, 0.00304522/step Wall: 13488.8, 0.00304522/step, 0.432591 hours remaining, 209.035156 MB of memory in use. ENERGY: 4488600 734.1176 2040.2912 1961.3131 109.8685 -205571.3493 17513.2368 0.0000 0.0000 34572.0253 -148640.4968 301.9261 -183212.5221 -148539.8557 300.7910 -123.9659 -90.3527 558093.3182 -5.2560 -5.5455 PRESSURE: 4488800 221.096 -117.27 122.844 -117.271 -60.2119 37.099 122.843 37.0997 269.636 GPRESSURE: 4488800 191.18 -53.8228 93.5652 -119.229 -2.48811 85.9033 155.632 -4.6347 338.37 PRESSAVG: 4488800 -1.7928 -22.9361 -53.6961 -22.9361 51.7277 25.553 -53.6962 25.5532 -40.7496 GPRESSAVG: 4488800 -1.79683 -21.3596 -52.5562 -24.3189 52.1586 25.4399 -53.5405 26.3271 -41.4188 TIMING: 4488800 CPU: 13489.5, 0.00303477/step Wall: 13489.5, 0.00303477/step, 0.430938 hours remaining, 209.035156 MB of memory in use. ENERGY: 4488800 711.1110 2049.1019 1939.5490 105.8555 -205556.9273 17603.5267 0.0000 0.0000 34529.2752 -148618.5081 301.5527 -183147.7833 -148523.2473 301.0824 143.5067 175.6874 558376.5350 3.0618 2.9810 PRESSURE: 4489000 -210.311 -7.95831 21.2919 -7.95771 -197.493 17.4211 21.2908 17.4215 -155.901 GPRESSURE: 4489000 -186.039 -91.286 75.2467 40.4223 -137.564 7.31586 -6.23992 10.9378 -151.374 PRESSAVG: 4489000 10.8826 6.17883 -14.1904 6.17875 26.155 10.3297 -14.1904 10.3296 17.2837 GPRESSAVG: 4489000 10.7137 3.8756 -15.6107 6.62908 26.2774 9.80585 -13.3064 8.28625 17.9185 TIMING: 4489000 CPU: 13490.1, 0.00300106/step Wall: 13490.1, 0.00300106/step, 0.425983 hours remaining, 209.035156 MB of memory in use. ENERGY: 4489000 733.6300 2019.5182 1953.4305 121.8611 -205409.4090 17299.3006 0.0000 0.0000 34569.3363 -148712.3322 301.9026 -183281.6686 -148612.4091 300.8193 -187.9016 -158.3253 559640.2467 18.1071 18.3032 PRESSURE: 4489200 141.602 63.4366 -140.951 63.4362 -116.244 53.8903 -140.951 53.8911 237.171 GPRESSURE: 4489200 182.278 109.243 -189.22 88.1803 -67.4535 50.4926 -96.892 -12.4887 243.071 PRESSAVG: 4489200 31.8593 25.131 4.59319 25.1308 0.731144 -26.8785 4.59319 -26.8784 -17.1258 GPRESSAVG: 4489200 31.718 25.0917 6.32308 27.3993 0.0972053 -28.8793 4.28788 -23.8079 -16.5988 TIMING: 4489200 CPU: 13490.7, 0.0030193/step Wall: 13490.7, 0.0030193/step, 0.428406 hours remaining, 209.035156 MB of memory in use. ENERGY: 4489200 733.6440 2057.5196 1952.0097 126.3220 -206147.2486 17894.0910 0.0000 0.0000 34604.8005 -148778.8618 302.2123 -183383.6623 -148686.8213 300.6814 87.5096 119.2983 558460.3560 5.1549 5.0721 PRESSURE: 4489400 19.9315 42.6831 101.231 42.6834 163.683 -7.25182 101.232 -7.25344 -4.92315 GPRESSURE: 4489400 41.6575 46.6007 164.755 136.608 225.404 25.9423 51.8884 -28.5529 11.168 PRESSAVG: 4489400 -81.8663 -16.2188 -13.6879 -16.2188 52.4339 -4.61717 -13.6879 -4.61725 69.9689 GPRESSAVG: 4489400 -82.5807 -16.3036 -14.5051 -15.6037 53.2898 -2.98218 -15.7469 -6.65692 69.8483 TIMING: 4489400 CPU: 13491.3, 0.00300731/step Wall: 13491.3, 0.00300731/step, 0.426536 hours remaining, 209.035156 MB of memory in use. ENERGY: 4489400 737.7765 2096.0280 1935.1330 99.2505 -206051.4937 17906.7109 0.0000 0.0000 34423.9782 -148852.6166 300.6332 -183276.5948 -148759.5058 300.4764 59.5637 92.7431 558502.6915 13.5122 13.5191 PRESSURE: 4489600 -69.9717 121.616 -12.6671 121.615 136.309 43.4427 -12.6667 43.4426 91.5268 GPRESSURE: 4489600 5.62819 38.5257 -23.4623 36.1673 134.775 88.4169 -33.0737 49.7051 115.266 PRESSAVG: 4489600 -13.1515 71.1217 22.4469 71.1217 7.96685 -22.4419 22.4468 -22.4418 -22.0093 GPRESSAVG: 4489600 -12.5694 69.4404 22.4798 69.5632 7.90896 -23.2754 24.7615 -22.7099 -22.3665 TIMING: 4489600 CPU: 13491.9, 0.00301748/step Wall: 13491.9, 0.00301748/step, 0.427811 hours remaining, 209.035156 MB of memory in use. ENERGY: 4489600 777.4892 2058.3939 1956.7182 106.0950 -205959.2882 17811.5737 0.0000 0.0000 34259.0408 -148989.9775 299.1927 -183249.0183 -148892.8956 299.8923 52.6215 85.2230 558088.9052 -9.0647 -9.0090 PRESSURE: 4489800 -0.515631 29.2439 75.3684 29.2432 -297.271 96.9361 75.3683 96.9356 -149.504 GPRESSURE: 4489800 3.06664 49.1548 -81.4964 3.2169 -224.076 48.5445 183.248 234.126 -118.839 PRESSAVG: 4489800 -1.65055 -4.14842 9.17003 -4.14851 -31.7717 19.4583 9.17007 19.4582 48.8354 GPRESSAVG: 4489800 -0.482704 -4.88193 9.47093 -3.14035 -32.5616 19.3379 9.49494 20.2022 48.226 TIMING: 4489800 CPU: 13492.5, 0.00301178/step Wall: 13492.5, 0.00301178/step, 0.426837 hours remaining, 209.035156 MB of memory in use. ENERGY: 4489800 812.7794 2076.2882 1970.1265 129.9391 -205711.6688 17552.4161 0.0000 0.0000 34259.2769 -148910.8426 299.1948 -183170.1195 -148811.6936 300.1500 -149.0967 -113.2830 559562.3162 5.1377 5.0606 PRESSURE: 4490000 -186.92 162.578 -58.8719 162.579 -34.1085 57.2035 -58.8733 57.2035 51.6891 GPRESSURE: 4490000 -118.107 132.273 -35.786 214.236 -19.3695 -19.8514 -122.135 45.7408 73.3197 PRESSAVG: 4490000 -51.2387 -65.0073 62.1331 -65.0073 54.1812 51.4244 62.1332 51.4244 30.8558 GPRESSAVG: 4490000 -52.6287 -62.1369 61.8678 -67.7659 56.1845 50.7444 61.5333 52.6433 30.9539 TIMING: 4490000 CPU: 13493.1, 0.00301684/step Wall: 13493.1, 0.00301684/step, 0.427386 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: 4490000 775.9323 2133.7341 1946.2306 108.5414 -205500.0219 17578.3656 0.0000 0.0000 34045.7616 -148911.4563 297.3301 -182957.2179 -148819.0157 299.7247 -56.4466 -21.3857 558470.6264 11.2661 11.5032 PRESSURE: 4490200 -242.104 -20.4514 177.33 -20.4525 223.435 30.3542 177.33 30.3541 -36.3536 GPRESSURE: 4490200 -172.03 -26.2345 125.472 55.3868 249.648 119.556 272.93 11.7121 -33.9377 PRESSAVG: 4490200 -30.4863 -11.8485 37.4056 -11.8484 46.5833 -4.90333 37.4056 -4.90335 -57.7396 GPRESSAVG: 4490200 -30.7624 -13.3288 38.0424 -9.284 45.9629 -4.23312 37.5771 -5.82953 -57.5306 TIMING: 4490200 CPU: 13493.7, 0.00300365/step Wall: 13493.7, 0.00300365/step, 0.42535 hours remaining, 209.035156 MB of memory in use. ENERGY: 4490200 720.9210 2097.7490 1927.2713 125.3534 -205692.8041 17641.5115 0.0000 0.0000 34213.1253 -148966.8725 298.7917 -183179.9978 -148869.3203 300.0463 -18.3407 14.5603 558410.5338 -13.8809 -14.1100 PRESSURE: 4490400 294.09 -160.043 -40.2057 -160.042 48.2617 -70.4004 -40.2049 -70.3995 77.719 GPRESSURE: 4490400 319.206 -178.981 2.80928 -104.66 160.599 -135.648 -44.5617 -26.7648 40.6838 PRESSAVG: 4490400 5.89973 24.4028 36.0149 24.4029 -0.216778 5.70345 36.0149 5.70355 4.08455 GPRESSAVG: 4490400 7.64862 26.3779 33.4157 23.6357 -1.33722 5.38185 35.0471 5.94729 4.31294 TIMING: 4490400 CPU: 13494.3, 0.00300392/step Wall: 13494.3, 0.00300392/step, 0.425222 hours remaining, 209.035156 MB of memory in use. ENERGY: 4490400 762.8966 2092.1529 1941.7044 107.7747 -206434.5654 17982.5237 0.0000 0.0000 34459.5054 -149088.0076 300.9434 -183547.5130 -148990.5880 299.9262 140.0235 173.4962 556391.0024 3.2558 3.5414 PRESSURE: 4490600 213.801 272.833 168.074 272.833 191.429 -126.183 168.074 -126.184 39.7152 GPRESSURE: 4490600 221.358 361.427 133.979 232.427 222.5 -174.897 209.822 -52.7912 114.277 PRESSAVG: 4490600 4.18922 -4.33951 11.1302 -4.33954 3.59724 -6.21884 11.1302 -6.21886 14.9444 GPRESSAVG: 4490600 4.22293 -3.97718 14.0247 -4.89822 3.49305 -4.6791 8.87288 -8.21501 14.5654 TIMING: 4490600 CPU: 13494.9, 0.00302767/step Wall: 13494.9, 0.00302767/step, 0.428416 hours remaining, 209.035156 MB of memory in use. ENERGY: 4490600 747.6608 2048.0562 1943.2759 110.2054 -206169.8253 18021.9169 0.0000 0.0000 34285.8355 -149012.8747 299.4267 -183298.7102 -148912.1167 299.9881 148.3150 186.0449 557346.9130 7.5770 7.4271 PRESSURE: 4490800 -197.513 64.2262 -60.1829 64.2247 -242.079 -22.8724 -60.1827 -22.8748 33.1599 GPRESSURE: 4490800 -156.173 79.8888 51.2366 79.7921 -193.816 -78.6773 -74.2395 -6.83963 61.5622 PRESSAVG: 4490800 -24.4864 48.2596 -30.4289 48.2596 2.14168 4.14382 -30.4289 4.14377 -14.8153 GPRESSAVG: 4490800 -24.7204 46.8269 -32.6484 48.0857 2.69161 3.80865 -27.7529 4.96472 -14.8238 TIMING: 4490800 CPU: 13495.5, 0.00303683/step Wall: 13495.5, 0.00303683/step, 0.429542 hours remaining, 209.035156 MB of memory in use. ENERGY: 4490800 743.7653 2084.4380 1946.5540 112.3611 -205871.1766 17519.7916 0.0000 0.0000 34349.6251 -149114.6415 299.9838 -183464.2666 -149015.4893 299.2489 -135.4775 -96.1423 557301.6555 -12.3867 -12.2842 PRESSURE: 4491000 395.397 -172.973 234.512 -172.972 67.6224 52.6043 234.511 52.6062 121.742 GPRESSURE: 4491000 399.817 -193.799 302.41 -96.3129 106.15 53.7725 213.94 2.42841 175.098 PRESSAVG: 4491000 0.0840347 -13.0177 -16.5697 -13.0176 -4.99461 -8.61308 -16.5698 -8.61296 -0.0365131 GPRESSAVG: 4491000 -1.04215 -12.3026 -14.4113 -12.4555 -4.65003 -10.8758 -18.5813 -6.90472 0.936096 TIMING: 4491000 CPU: 13496.1, 0.00302651/step Wall: 13496.1, 0.00302651/step, 0.427914 hours remaining, 209.035156 MB of memory in use. ENERGY: 4491000 729.1785 2053.7072 1938.5282 107.5878 -206595.0274 18142.0167 0.0000 0.0000 34352.5741 -149271.4349 300.0096 -183624.0090 -149174.1076 299.1607 194.9204 227.0219 557465.1232 -1.6490 -1.5854 PRESSURE: 4491200 4.15545 42.0625 102.093 42.0635 -20.2159 127.935 102.093 127.936 96.0825 GPRESSURE: 4491200 49.021 22.036 99.5329 31.3902 78.1262 64.5492 102.949 170.989 61.4648 PRESSAVG: 4491200 -17.2162 -26.1843 39.4815 -26.1842 29.0749 -23.1205 39.4814 -23.1207 -27.3901 GPRESSAVG: 4491200 -15.7477 -28.2821 36.5728 -26.1505 28.3674 -21.3318 41.5613 -24.1689 -28.5002 TIMING: 4491200 CPU: 13496.7, 0.00300809/step Wall: 13496.7, 0.00300809/step, 0.425143 hours remaining, 209.035156 MB of memory in use. ENERGY: 4491200 732.4739 2062.8140 1937.7507 113.2183 -206693.5546 18053.7343 0.0000 0.0000 34467.5141 -149326.0492 301.0134 -183793.5633 -149229.2683 299.0197 26.6740 62.8707 557830.4302 -5.1771 -5.2935 PRESSURE: 4491400 -191.826 -109.765 169.871 -109.765 -40.8225 -61.068 169.871 -61.0664 -85.8867 GPRESSURE: 4491400 -224.065 -35.4381 138.554 -101.196 -21.3358 -95.3001 140.973 -60.0263 30.2593 PRESSAVG: 4491400 8.9323 -51.4761 74.6043 -51.4761 26.8314 -56.8677 74.6043 -56.8678 -25.7536 GPRESSAVG: 4491400 6.33889 -49.0235 75.7129 -52.5429 26.12 -56.0626 73.4187 -58.0753 -23.1837 TIMING: 4491400 CPU: 13497.3, 0.00302615/step Wall: 13497.3, 0.00302615/step, 0.427528 hours remaining, 209.035156 MB of memory in use. ENERGY: 4491400 787.9709 2046.1800 1965.3188 107.2336 -206465.5517 17937.2827 0.0000 0.0000 34298.1713 -149323.3945 299.5345 -183621.5657 -149224.2253 298.7141 -106.1785 -71.7138 558935.5533 3.3367 3.0917 PRESSURE: 4491600 -188.663 -70.9433 70.5367 -70.9427 -87.3354 17.2836 70.5381 17.2839 -203.12 GPRESSURE: 4491600 -178.365 -53.7964 -11.0786 -64.328 -74.5092 -59.6126 135.287 63.033 -128.369 PRESSAVG: 4491600 -9.06077 -40.1132 49.9816 -40.1132 -16.424 -48.6958 49.9816 -48.6958 3.25088 GPRESSAVG: 4491600 -8.00536 -42.9601 49.6178 -37.7425 -15.9662 -49.4666 50.6022 -47.371 1.48455 TIMING: 4491600 CPU: 13497.9, 0.00299881/step Wall: 13497.9, 0.00299881/step, 0.423499 hours remaining, 209.292969 MB of memory in use. ENERGY: 4491600 748.8167 2052.4203 1916.2066 119.2196 -206039.5276 17769.0730 0.0000 0.0000 34248.1876 -149185.6038 299.0979 -183433.7914 -149097.5552 299.2475 -159.7064 -127.0812 559453.3093 -7.4113 -7.4957 PRESSURE: 4491800 99.2579 -108.278 -5.50209 -108.279 329.935 -87.2573 -5.50397 -87.2583 10.511 GPRESSURE: 4491800 190.105 -173.284 14.8298 -89.2548 360.186 -36.0467 -19.8313 -93.8472 -16.351 PRESSAVG: 4491800 -41.337 -57.7889 4.49971 -57.789 16.0104 15.8753 4.49971 15.8754 5.35747 GPRESSAVG: 4491800 -40.9439 -56.7747 6.83551 -59.7748 16.2053 16.8086 3.88898 14.6028 4.68118 TIMING: 4491800 CPU: 13498.5, 0.0030082/step Wall: 13498.5, 0.0030082/step, 0.424658 hours remaining, 209.292969 MB of memory in use. ENERGY: 4491800 728.2246 2131.1402 1943.2184 122.3080 -206400.4461 18035.0558 0.0000 0.0000 34152.3419 -149288.1572 298.2609 -183440.4990 -149200.7777 298.6800 146.5681 177.9800 556490.8534 -6.6564 -6.6858 PRESSURE: 4492000 -183.385 -3.28194 108.436 -3.2824 114.771 -49.551 108.436 -49.5499 -352.562 GPRESSURE: 4492000 -141.537 -4.70851 109.545 46.0093 118.113 -34.4476 170.868 -29.7311 -296.592 PRESSAVG: 4492000 -23.64 3.69832 54.2907 3.69829 62.0076 -35.9437 54.2906 -35.9439 -60.9316 GPRESSAVG: 4492000 -24.5453 3.90961 51.0042 6.45202 62.282 -37.3116 56.4639 -34.8138 -60.5436 TIMING: 4492000 CPU: 13499.1, 0.00304215/step Wall: 13499.1, 0.00304215/step, 0.429281 hours remaining, 209.292969 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: 4492000 771.6710 2002.3425 1936.6050 124.0092 -206251.5062 17883.5267 0.0000 0.0000 34210.2966 -149323.0552 298.7670 -183533.3518 -149221.6430 298.6783 -140.3919 -106.6718 558404.5935 -7.5213 -7.6023 PRESSURE: 4492200 19.3685 62.2214 -50.9449 62.2225 -184.871 42.38 -50.9446 42.3789 -407.528 GPRESSURE: 4492200 -4.41779 170.961 -38.3591 0.240922 -131.062 -52.6769 -32.4612 103.915 -334.737 PRESSAVG: 4492200 -11.0446 19.726 -6.48827 19.726 39.0322 -4.03628 -6.48826 -4.03613 -20.531 GPRESSAVG: 4492200 -11.2724 19.0266 -4.06509 18.7307 39.3678 -3.70801 -9.25675 -2.82899 -20.4178 TIMING: 4492200 CPU: 13499.7, 0.00301995/step Wall: 13499.7, 0.00301995/step, 0.42598 hours remaining, 209.292969 MB of memory in use. ENERGY: 4492200 741.1238 2099.2781 1915.0352 97.4835 -205578.5695 17412.8625 0.0000 0.0000 34172.4937 -149140.2927 298.4369 -183312.7864 -149046.8183 298.9618 -191.0103 -156.7387 557237.6497 2.4855 2.5592 LDB: ============= START OF LOAD BALANCING ============== 13503.1 LDB: ============== END OF LOAD BALANCING =============== 13503.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13503.1 LDB: ============= START OF LOAD BALANCING ============== 13503.4 LDB: Largest compute 4820 load 0.025385 is 21.5% of average load 0.118207 LDB: Average compute 0.001740 is 1.5% of average load 0.118207 LDB: TIME 13503.4 LOAD: AVG 0.118207 MAX 0.212738 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.719 MB LDB: TIME 13503.4 LOAD: AVG 0.118207 MAX 0.212738 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.922 MB LDB: TIME 13503.4 LOAD: AVG 0.118207 MAX 0.212738 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.922 MB LDB: ============== END OF LOAD BALANCING =============== 13503.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13503.5 PRESSURE: 4492400 4.2573 245.287 -36.3367 245.287 -178.626 0.699054 -36.3375 0.700456 -153.207 GPRESSURE: 4492400 37.0448 238.693 -28.4985 193.89 -159.106 49.7332 -32.5739 63.955 -107.576 PRESSAVG: 4492400 43.5593 7.06094 -26.5214 7.06098 -18.162 4.89443 -26.5214 4.89446 -27.1007 GPRESSAVG: 4492400 44.1152 8.20288 -28.8909 4.4001 -19.0644 3.88823 -22.3387 4.90682 -26.072 TIMING: 4492400 CPU: 13500.3, 0.00307011/step Wall: 13500.3, 0.00307011/step, 0.432885 hours remaining, 210.292969 MB of memory in use. ENERGY: 4492400 736.9131 2110.8407 1944.8143 104.1875 -206044.1458 17727.2299 0.0000 0.0000 34368.4362 -149051.7241 300.1481 -183420.1603 -148954.6486 299.6435 -109.1920 -76.5458 557804.5936 -0.5678 -0.3404 PRESSURE: 4492600 -189.532 -13.3887 166.681 -13.3868 -235.582 141.888 166.681 141.889 -73.9357 GPRESSURE: 4492600 -203.831 21.852 189.363 -107.362 -158.947 85.917 227.541 115.767 -49.5654 PRESSAVG: 4492600 -4.97689 29.2215 32.8155 29.2215 23.9799 6.76026 32.8155 6.76024 -64.007 GPRESSAVG: 4492600 -5.28864 27.1974 32.9513 30.8754 24.3958 6.05531 31.649 4.2047 -64.3576 TIMING: 4492600 CPU: 13500.9, 0.00302163/step Wall: 13500.9, 0.00302163/step, 0.425882 hours remaining, 210.363281 MB of memory in use. ENERGY: 4492600 708.9947 2040.4408 1958.1954 108.2961 -205736.6697 17542.5847 0.0000 0.0000 34184.5455 -149193.6126 298.5421 -183378.1580 -149102.7728 299.4539 -166.3499 -137.4477 559398.3575 -15.0013 -15.0835 PRESSURE: 4492800 -395.957 -90.4975 21.2889 -90.498 -44.1637 36.6771 21.2905 36.6764 -113.353 GPRESSURE: 4492800 -337.955 -109.454 65.1872 -92.3477 -73.9369 -31.6272 0.746504 71.3792 -33.1922 PRESSAVG: 4492800 -42.9086 55.0043 7.37762 55.0042 -0.799301 0.0355346 7.37762 0.0356917 25.1648 GPRESSAVG: 4492800 -41.9478 57.4531 7.55714 53.2128 -1.81858 1.7015 6.24931 2.3371 24.8233 TIMING: 4492800 CPU: 13501.5, 0.00301776/step Wall: 13501.5, 0.00301776/step, 0.425168 hours remaining, 210.363281 MB of memory in use. ENERGY: 4492800 743.1643 2045.5169 1944.1239 102.8980 -205746.7839 17592.2706 0.0000 0.0000 34263.1368 -149055.6734 299.2285 -183318.8102 -148954.1797 299.1314 -184.4911 -148.3614 558413.0057 -6.1810 -6.3143 PRESSURE: 4493000 -58.5884 34.2405 39.2791 34.2415 88.4608 136.819 39.2783 136.82 -228.164 GPRESSURE: 4493000 -17.758 -13.9637 63.6783 18.2312 65.382 129.628 -27.8179 80.8201 -136.391 PRESSAVG: 4493000 -98.4171 -17.6086 4.10296 -17.6086 30.5481 24.1673 4.10295 24.1672 70.9455 GPRESSAVG: 4493000 -99.1581 -17.7424 4.97205 -18.1909 31.3963 23.5798 4.00224 21.6576 71.1615 TIMING: 4493000 CPU: 13502.1, 0.00300251/step Wall: 13502.1, 0.00300251/step, 0.422853 hours remaining, 210.363281 MB of memory in use. ENERGY: 4493000 762.9791 2114.6740 1952.1411 114.1741 -206044.7665 17696.8713 0.0000 0.0000 34264.6330 -149139.2940 299.2416 -183403.9270 -149048.1514 299.2822 -66.0973 -29.5891 556858.3559 1.0255 1.1332 PRESSURE: 4493200 -196.377 175.367 40.2763 175.366 -39.946 -56.747 40.2759 -56.7461 143.37 GPRESSURE: 4493200 -109.501 128.634 55.1653 144.351 -52.1149 -48.0014 32.9182 -141.552 177.886 PRESSAVG: 4493200 -55.9323 12.1761 24.4629 12.1762 64.1513 -23.9655 24.463 -23.9655 54.5193 GPRESSAVG: 4493200 -56.6461 13.6782 24.864 12.6627 63.9434 -22.3429 23.6271 -23.7982 55.0521 TIMING: 4493200 CPU: 13502.7, 0.00305164/step Wall: 13502.7, 0.00305164/step, 0.429602 hours remaining, 210.363281 MB of memory in use. ENERGY: 4493200 782.7558 2089.6703 1951.4198 124.3217 -205986.5107 17803.7629 0.0000 0.0000 34184.4751 -149050.1051 298.5415 -183234.5802 -148960.1387 299.5111 -30.9843 5.4231 557600.5619 20.9127 20.7831 PRESSURE: 4493400 -195.2 143.286 -35.7493 143.287 -269.316 -102.062 -35.7491 -102.062 -368.907 GPRESSURE: 4493400 -143.713 107.275 -84.7587 196.441 -219.022 -159.63 -47.8586 -102.939 -376.686 PRESSAVG: 4493400 -19.1086 -24.1115 55.7151 -24.1115 61.4826 -3.77479 55.7151 -3.7748 -31.3045 GPRESSAVG: 4493400 -18.5154 -27.9398 57.3481 -23.3134 61.9691 -2.8599 54.9701 -4.50095 -32.0053 TIMING: 4493400 CPU: 13503.3, 0.00303398/step Wall: 13503.3, 0.00303398/step, 0.426949 hours remaining, 210.363281 MB of memory in use. ENERGY: 4493400 798.2657 2145.3780 1936.9967 98.7909 -206034.7107 17498.2030 0.0000 0.0000 34466.3298 -149090.7466 301.0030 -183557.0765 -148996.6820 299.7335 -277.8077 -246.4738 557564.8035 3.6898 3.8161 PRESSURE: 4493600 6.95387 -80.7433 -48.5867 -80.7448 208.946 -100.924 -48.5871 -100.923 -158.311 GPRESSURE: 4493600 49.5505 -149.058 1.01277 -67.3861 189.285 -134.389 -37.9589 -84.5978 -78.03 PRESSAVG: 4493600 -11.0551 1.23845 0.315685 1.23841 24.4122 14.2198 0.315695 14.2199 -21.8215 GPRESSAVG: 4493600 -10.6416 1.06719 -0.493316 0.859437 24.617 14.1927 1.82428 13.8642 -22.4772 TIMING: 4493600 CPU: 13504, 0.00304872/step Wall: 13504, 0.00304872/step, 0.428853 hours remaining, 210.363281 MB of memory in use. ENERGY: 4493600 740.4075 2080.0667 1934.6336 107.1789 -206078.7585 17864.9081 0.0000 0.0000 34178.5767 -149172.9871 298.4900 -183351.5638 -149077.8371 299.5318 19.1963 53.6016 557968.0851 -2.8215 -2.8339 PRESSURE: 4493800 -62.9626 76.7005 78.93 76.7007 -110.255 56.3082 78.9304 56.31 203.438 GPRESSURE: 4493800 -75.4063 75.1761 70.805 142.624 -5.23779 60.9926 2.67452 35.6045 216.14 PRESSAVG: 4493800 45.0894 -47.4544 -2.54349 -47.4544 3.17489 -35.4704 -2.54348 -35.4705 -61.3104 GPRESSAVG: 4493800 44.1307 -46.7409 -2.474 -44.9809 2.75164 -37.1994 -3.63047 -33.1129 -60.1321 TIMING: 4493800 CPU: 13504.6, 0.00304549/step Wall: 13504.6, 0.00304549/step, 0.428229 hours remaining, 210.363281 MB of memory in use. ENERGY: 4493800 740.1321 2079.6897 1931.5907 99.6424 -206065.0624 17793.4432 0.0000 0.0000 34306.1172 -149114.4471 299.6039 -183420.5643 -149009.7702 299.3606 10.0736 45.1654 557656.3254 -4.3487 -4.4166 PRESSURE: 4494000 -427.38 -7.1296 -113.577 -7.12946 -70.3155 126.289 -113.577 126.289 -38.675 GPRESSURE: 4494000 -331.258 -60.6245 -162.377 30.8217 -61.0738 157.74 -172.995 78.9978 -65.7599 PRESSAVG: 4494000 -28.3659 -75.2538 -41.9324 -75.2539 60.3767 34.0942 -41.9324 34.0942 -13.5054 GPRESSAVG: 4494000 -27.0228 -74.988 -40.7958 -76.7831 58.8905 33.7407 -40.2891 32.574 -13.1549 TIMING: 4494000 CPU: 13505.2, 0.0030252/step Wall: 13505.2, 0.0030252/step, 0.425208 hours remaining, 210.363281 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: 4494000 721.4679 2103.0874 1952.9733 117.5244 -206020.9623 17542.0167 0.0000 0.0000 34331.8221 -149252.0705 299.8283 -183583.8926 -149165.0932 299.7046 -178.7902 -152.6973 558348.3244 6.1685 6.2376 PRESSURE: 4494200 -194.958 32.7214 -39.5045 32.7215 -181.529 -38.706 -39.5029 -38.7074 -17.6509 GPRESSURE: 4494200 -126.852 -4.55173 -62.6301 24.5795 -198.394 -176.726 -37.2797 -38.7404 35.5902 PRESSAVG: 4494200 49.4301 -3.88449 -73.505 -3.88452 -25.0517 -9.62034 -73.505 -9.62028 -1.34901 GPRESSAVG: 4494200 49.0052 -4.34234 -76.7189 -2.70321 -24.2369 -7.87473 -74.9695 -9.96433 -1.62648 TIMING: 4494200 CPU: 13505.8, 0.00303795/step Wall: 13505.8, 0.00303795/step, 0.426832 hours remaining, 210.363281 MB of memory in use. ENERGY: 4494200 765.5557 2115.5228 1916.4731 116.7505 -206282.4167 17754.3689 0.0000 0.0000 34375.4513 -149238.2945 300.2094 -183613.7457 -149138.2217 299.3314 -131.3794 -96.5518 557129.3375 7.6765 7.7139 PRESSURE: 4494400 92.6243 100.18 -98.3023 100.18 -75.5561 173.053 -98.3024 173.053 124.661 GPRESSURE: 4494400 101.659 39.972 -0.0162502 71.5981 -53.2513 141.261 -83.9371 207.941 194.273 PRESSAVG: 4494400 1.32559 -3.15766 -68.9399 -3.15776 -0.982749 13.234 -68.9399 13.2339 26.1635 GPRESSAVG: 4494400 1.22716 -2.7399 -67.5736 -4.43704 -1.27647 12.1575 -68.676 17.1207 26.2913 TIMING: 4494400 CPU: 13506.4, 0.00303586/step Wall: 13506.4, 0.00303586/step, 0.42637 hours remaining, 210.363281 MB of memory in use. ENERGY: 4494400 772.3533 2147.6128 1944.2670 103.5348 -206268.8139 17961.2456 0.0000 0.0000 34235.9920 -149103.8085 298.9914 -183339.8004 -149003.1858 299.9581 47.2430 80.8934 558004.0194 8.8354 8.7473 PRESSURE: 4494600 -163.764 196.258 -26.9273 196.258 -154.067 -31.4108 -26.9279 -31.409 -3.79663 GPRESSURE: 4494600 -155.422 151.979 -39.0546 201.95 -118.172 19.9908 -72.1985 -18.5429 39.5958 PRESSAVG: 4494600 20.8544 -9.97739 -27.6331 -9.97741 -32.6149 -4.47253 -27.6331 -4.47257 22.3963 GPRESSAVG: 4494600 21.0759 -9.91417 -28.1352 -9.1985 -31.6421 -3.32096 -27.7595 -7.06977 21.5613 TIMING: 4494600 CPU: 13507, 0.00304406/step Wall: 13507, 0.00304406/step, 0.427352 hours remaining, 210.363281 MB of memory in use. ENERGY: 4494600 744.4794 2099.0230 1927.3444 111.1777 -206050.1958 17877.9431 0.0000 0.0000 34234.8704 -149055.3578 298.9816 -183290.2282 -148958.4258 300.4419 -107.2091 -77.9995 560852.3146 3.5453 3.6650 PRESSURE: 4494800 -32.4009 -38.1185 -70.1797 -38.1186 -42.1976 65.0897 -70.179 65.0888 165.701 GPRESSURE: 4494800 3.21014 20.8943 -75.0617 34.5388 20.1289 -20.2824 -93.5962 50.1779 155.261 PRESSAVG: 4494800 14.1098 -1.77973 -35.0516 -1.77978 -38.1452 -10.6601 -35.0516 -10.66 36.0728 GPRESSAVG: 4494800 14.3224 -0.829981 -36.2462 -3.52812 -38.9549 -11.6946 -33.4988 -12.3827 36.622 TIMING: 4494800 CPU: 13507.6, 0.00303075/step Wall: 13507.6, 0.00303075/step, 0.425315 hours remaining, 210.363281 MB of memory in use. ENERGY: 4494800 799.1813 2098.6203 1958.6150 112.4583 -206208.7963 17871.4048 0.0000 0.0000 34278.9531 -149089.5634 299.3666 -183368.5166 -148995.0195 300.3085 30.3675 59.5332 556593.2141 4.0124 3.9965 PRESSURE: 4495000 58.8327 -68.3691 -5.93065 -68.3696 62.1108 -62.7627 -5.93102 -62.7625 -120.101 GPRESSURE: 4495000 81.6143 -124.797 -84.8444 19.7607 169.904 75.3638 59.9286 -127.417 -155.589 PRESSAVG: 4495000 34.4876 28.7748 -16.9367 28.7747 -18.4898 -36.9126 -16.9368 -36.9125 18.3614 GPRESSAVG: 4495000 34.4413 27.6259 -15.4674 28.4358 -17.4176 -38.5026 -18.6547 -34.0391 17.743 TIMING: 4495000 CPU: 13508.2, 0.00302263/step Wall: 13508.2, 0.00302263/step, 0.424008 hours remaining, 210.363281 MB of memory in use. ENERGY: 4495000 766.8597 2137.6345 1923.3092 113.1750 -206042.9257 17810.7496 0.0000 0.0000 34061.1622 -149230.0355 297.4646 -183291.1977 -149133.9913 299.4023 0.2809 31.9764 557428.3708 11.4531 11.5889 PRESSURE: 4495200 -125.634 29.4668 206.334 29.4672 68.8113 -23.4785 206.334 -23.4763 240.58 GPRESSURE: 4495200 -89.3595 6.36512 190.827 17.9485 125.654 45.1799 225.23 33.2287 242.896 PRESSAVG: 4495200 -9.0485 2.40126 10.0293 2.40116 2.55166 -26.5934 10.0292 -26.5933 -3.31233 GPRESSAVG: 4495200 -8.69432 2.93011 8.5344 3.95977 1.34844 -24.6237 12.5396 -28.2527 -2.6818 TIMING: 4495200 CPU: 13508.8, 0.0030099/step Wall: 13508.8, 0.0030099/step, 0.422055 hours remaining, 210.363281 MB of memory in use. ENERGY: 4495200 764.3189 2037.7006 1944.3082 109.8263 -206235.1318 17860.0893 0.0000 0.0000 34262.3302 -149256.5583 299.2215 -183518.8885 -149164.0752 299.6896 61.2524 93.0636 556202.4530 -3.2697 -3.3426 PRESSURE: 4495400 -41.2095 -96.4197 -29.7046 -96.4199 64.513 -36.1802 -29.7036 -36.1801 12.2375 GPRESSURE: 4495400 86.7558 -192.822 57.514 -46.8342 66.2892 -31.3204 -79.5042 -35.2378 -2.86996 PRESSAVG: 4495400 25.8994 -34.5053 4.70424 -34.5053 17.62 -0.153159 4.70433 -0.153041 -1.39545 GPRESSAVG: 4495400 26.1763 -32.8611 4.69015 -34.6547 18.5192 -3.51303 3.80629 2.19403 -2.249 TIMING: 4495400 CPU: 13509.4, 0.00302611/step Wall: 13509.4, 0.00302611/step, 0.42416 hours remaining, 210.363281 MB of memory in use. ENERGY: 4495400 713.3331 2110.0420 1943.0731 98.2502 -206383.0948 17823.9638 0.0000 0.0000 34315.5034 -149378.9292 299.6858 -183694.4327 -149285.0527 298.7132 11.8470 50.0583 558127.1854 14.0413 14.1489 PRESSURE: 4495600 55.0784 -132.166 -0.603843 -132.166 -143.279 27.2422 -0.605396 27.2423 49.9405 GPRESSURE: 4495600 75.4991 -97.8542 40.5044 -114.438 -71.5633 80.6578 -30.2572 58.8452 58.3523 PRESSAVG: 4495600 29.2222 -21.2167 53.3953 -21.2167 -58.9661 -20.397 53.3953 -20.397 14.0359 GPRESSAVG: 4495600 29.1723 -25.0698 55.6433 -22.2697 -60.518 -17.4091 52.9161 -22.0948 15.7721 TIMING: 4495600 CPU: 13510, 0.00299431/step Wall: 13510, 0.00299431/step, 0.419536 hours remaining, 210.363281 MB of memory in use. ENERGY: 4495600 700.5513 2056.2872 1932.1585 115.6012 -206570.9103 17842.2895 0.0000 0.0000 34377.6980 -149546.3245 300.2290 -183924.0226 -149446.4357 299.2543 -12.7532 20.7627 557617.3473 -5.2360 -5.1912 PRESSURE: 4495800 168.158 16.1517 57.2687 16.1509 22.039 -18.9797 57.2689 -18.9786 -60.7354 GPRESSURE: 4495800 287.326 12.4772 -10.8755 74.9518 -8.95266 -29.9389 69.202 25.8391 -40.4419 PRESSAVG: 4495800 -1.77424 -67.6723 18.929 -67.6724 95.9125 -18.2228 18.929 -18.2227 -89.8663 GPRESSAVG: 4495800 -0.94832 -66.793 18.5198 -65.8178 95.948 -19.1107 19.4649 -18.7955 -90.9817 TIMING: 4495800 CPU: 13510.6, 0.002986/step Wall: 13510.6, 0.002986/step, 0.418205 hours remaining, 210.363281 MB of memory in use. ENERGY: 4495800 721.7281 2021.3670 1940.6011 111.9866 -206568.9992 17896.4424 0.0000 0.0000 34287.9396 -149588.9344 299.4451 -183876.8741 -149488.6141 298.4866 43.1540 79.3106 557861.8172 1.4240 1.3393 PRESSURE: 4496000 -98.2081 -131.336 -1.86661 -131.337 -226.191 -40.1189 -1.86713 -40.12 15.9834 GPRESSURE: 4496000 -68.057 -65.8652 8.36591 -158.983 -155.832 -42.6042 59.8997 -66.4597 5.44132 PRESSAVG: 4496000 -3.026 8.94066 14.3222 8.94069 78.9057 -36.2816 14.3222 -36.2815 -63.4455 GPRESSAVG: 4496000 -4.43191 9.58278 14.8212 6.41161 80.2123 -37.2278 13.3756 -34.2348 -63.166 TIMING: 4496000 CPU: 13511.2, 0.00299268/step Wall: 13511.2, 0.00299268/step, 0.418975 hours remaining, 210.363281 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: 4496000 742.9330 2082.4624 1925.2727 115.4701 -206055.5909 17659.2324 0.0000 0.0000 33985.5557 -149544.6646 296.8043 -183530.2203 -149450.1900 298.1875 -102.8053 -72.8157 558412.4727 4.1447 4.2048 PRESSURE: 4496200 -83.5764 35.6229 -81.3973 35.6239 -182.726 23.7738 -81.3962 23.7742 -8.76325 GPRESSURE: 4496200 -34.6133 54.0986 -36.4261 60.0794 -137.823 24.9792 -114.782 49.2392 -9.12645 PRESSAVG: 4496200 16.0804 -55.0371 -71.1536 -55.0372 -43.9746 -41.2846 -71.1536 -41.2847 68.2134 GPRESSAVG: 4496200 17.2481 -53.8837 -74.5286 -53.9362 -44.0183 -39.9611 -69.7808 -42.3582 67.6368 TIMING: 4496200 CPU: 13511.8, 0.00301553/step Wall: 13511.8, 0.00301553/step, 0.422007 hours remaining, 210.363281 MB of memory in use. ENERGY: 4496200 733.1734 2077.1970 1972.8300 103.3393 -206142.7454 17796.1981 0.0000 0.0000 34107.7721 -149352.2357 297.8717 -183460.0078 -149259.4787 298.7911 -91.6887 -60.5210 557964.6339 13.4397 13.6222 LDB: ============= START OF LOAD BALANCING ============== 13515.2 LDB: ============== END OF LOAD BALANCING =============== 13515.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13515.2 LDB: ============= START OF LOAD BALANCING ============== 13515.5 LDB: Largest compute 4820 load 0.025967 is 22.0% of average load 0.118107 LDB: Average compute 0.001747 is 1.5% of average load 0.118107 LDB: TIME 13515.5 LOAD: AVG 0.118107 MAX 0.210396 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.82 MB LDB: TIME 13515.5 LOAD: AVG 0.118107 MAX 0.210396 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.934 MB LDB: TIME 13515.5 LOAD: AVG 0.118107 MAX 0.210396 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.934 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13515.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13515.6 PRESSURE: 4496400 -62.6918 48.9065 90.2252 48.906 -232.933 13.6211 90.2255 13.6216 185.311 GPRESSURE: 4496400 -55.4807 -13.4403 92.5869 77.1913 -194.833 27.3437 82.1921 -49.715 238.488 PRESSAVG: 4496400 70.2956 -18.7482 7.3933 -18.7483 -93.8989 9.0957 7.39325 9.09565 12.9852 GPRESSAVG: 4496400 69.8451 -20.7923 9.46341 -17.7558 -93.6559 9.88235 6.54176 9.75937 13.9248 TIMING: 4496400 CPU: 13512.4, 0.00305643/step Wall: 13512.4, 0.00305643/step, 0.42756 hours remaining, 207.929688 MB of memory in use. ENERGY: 4496400 745.1049 2091.3949 1922.7710 101.9412 -206072.1531 17671.6886 0.0000 0.0000 34156.0773 -149383.1753 298.2935 -183539.2526 -149285.4322 299.4535 -36.7712 -3.9421 557192.1584 -3.5394 -3.2953 PRESSURE: 4496600 -77.3411 -33.9162 185.428 -33.9154 -176.055 -63.1006 185.427 -63.1018 -48.3537 GPRESSURE: 4496600 -36.5004 -49.1903 174.643 -51.6116 -135.874 -45.3648 183.928 -50.4471 -11.9509 PRESSAVG: 4496600 3.17 3.67746 -3.00189 3.67746 -58.7392 4.40377 -3.00206 4.4037 53.3674 GPRESSAVG: 4496600 3.36921 3.64834 -4.83015 5.18871 -58.3006 3.811 -3.04158 5.66499 53.3339 TIMING: 4496600 CPU: 13513, 0.00297858/step Wall: 13513, 0.00297858/step, 0.416504 hours remaining, 207.929688 MB of memory in use. ENERGY: 4496600 739.4400 2076.9478 1960.8034 113.9169 -206082.6001 17658.1941 0.0000 0.0000 34308.4132 -149224.8846 299.6239 -183533.2978 -149126.2249 299.8405 -100.5832 -61.4419 557958.0086 -0.7340 -0.5325 PRESSURE: 4496800 -224.348 41.5598 -53.3205 41.5603 -4.62123 -124.337 -53.3205 -124.337 -168.101 GPRESSURE: 4496800 -139.248 -36.1736 -57.9893 90.484 -27.6022 -106.198 -41.1909 -140.559 -133.118 PRESSAVG: 4496800 -11.7742 2.53127 -0.52118 2.53135 18.3405 6.26585 -0.521134 6.26589 13.5206 GPRESSAVG: 4496800 -12.2848 5.05766 2.48746 -0.528307 18.08 6.20816 -0.808768 3.99014 14.1805 TIMING: 4496800 CPU: 13513.6, 0.00301148/step Wall: 13513.6, 0.00301148/step, 0.420938 hours remaining, 207.929688 MB of memory in use. ENERGY: 4496800 792.3662 2068.4908 1954.4099 115.0099 -206288.8614 17816.9588 0.0000 0.0000 34244.7539 -149296.8720 299.0680 -183541.6259 -149203.0947 299.3211 -132.3569 -99.9893 557532.5088 6.6956 6.6586 PRESSURE: 4497000 16.1782 -6.25556 97.7528 -6.25592 -174.199 -139.557 97.7523 -139.558 -143.183 GPRESSURE: 4497000 13.7448 -7.77365 51.7812 69.7977 -194.822 -169.602 187.892 -168.071 -20.4749 PRESSAVG: 4497000 -11.024 -36.3696 52.7792 -36.3697 18.6565 -31.3062 52.7791 -31.3062 19.9774 GPRESSAVG: 4497000 -11.3754 -40.8131 51.3614 -35.3735 18.0799 -30.6206 55.1618 -30.0219 20.6309 TIMING: 4497000 CPU: 13514.2, 0.00301819/step Wall: 13514.2, 0.00301819/step, 0.421708 hours remaining, 207.929688 MB of memory in use. ENERGY: 4497000 783.3462 2049.6995 1937.8708 108.2252 -206341.1259 17790.2451 0.0000 0.0000 34273.3668 -149398.3724 299.3178 -183671.7392 -149306.7066 298.9268 -100.4011 -67.1841 557631.6806 9.2033 9.1118 PRESSURE: 4497200 -34.1187 -37.8486 10.0251 -37.8492 -73.9393 68.8373 10.0267 68.839 -288.962 GPRESSURE: 4497200 -17.1581 -43.4246 -87.8683 -16.0151 -3.95461 27.0647 58.4356 53.1838 -285.692 PRESSAVG: 4497200 -54.9801 -35.9959 -11.6492 -35.996 -3.8059 29.5638 -11.6492 29.5638 74.0532 GPRESSAVG: 4497200 -54.3337 -32.4368 -10.6461 -38.0484 -4.46935 29.2341 -14.2283 28.2167 73.4858 TIMING: 4497200 CPU: 13514.8, 0.00302629/step Wall: 13514.8, 0.00302629/step, 0.422671 hours remaining, 207.929688 MB of memory in use. ENERGY: 4497200 761.7530 2085.0582 1941.6640 108.6719 -206105.7885 17722.0209 0.0000 0.0000 34279.9151 -149206.7053 299.3750 -183486.6204 -149116.6335 299.0378 -132.3400 -102.2682 558865.0057 5.0891 4.8943 PRESSURE: 4497400 -209.422 6.74802 -0.589599 6.7495 -273.166 -137.467 -0.590044 -137.467 -310.599 GPRESSURE: 4497400 -182.019 -49.7309 48.7511 57.0435 -236.541 -109.898 -34.4809 -132.473 -283.188 PRESSAVG: 4497400 13.6283 -43.8568 9.27109 -43.8567 52.5716 -33.9619 9.27111 -33.9619 -27.4419 GPRESSAVG: 4497400 14.0613 -45.123 9.49152 -42.3712 53.425 -34.811 8.92342 -32.908 -28.3356 TIMING: 4497400 CPU: 13515.4, 0.00302408/step Wall: 13515.4, 0.00302408/step, 0.422195 hours remaining, 207.929688 MB of memory in use. ENERGY: 4497400 766.1865 2082.3870 1949.1230 121.9524 -206017.2630 17611.4153 0.0000 0.0000 34238.8020 -149247.3967 299.0160 -183486.1987 -149152.0180 299.1799 -264.3959 -233.9161 560177.1593 12.9193 13.0502 PRESSURE: 4497600 -221.744 214.694 62.6376 214.694 5.99735 -40.7625 62.6378 -40.7611 -413.093 GPRESSURE: 4497600 -157.02 259.482 35.4834 216.758 -55.5813 12.8184 78.069 -69.844 -313.687 PRESSAVG: 4497600 -101.706 -4.73353 6.52191 -4.73354 97.8917 25.3777 6.52187 25.3778 -17.7478 GPRESSAVG: 4497600 -102.953 -2.88166 4.18918 -6.68694 98.2992 26.4597 9.51003 25.2767 -17.2504 TIMING: 4497600 CPU: 13516, 0.003041/step Wall: 13516, 0.003041/step, 0.424389 hours remaining, 207.929688 MB of memory in use. ENERGY: 4497600 744.3005 2091.5796 1940.8255 117.2667 -205902.9111 17532.4597 0.0000 0.0000 34193.6114 -149282.8676 298.6213 -183476.4790 -149177.4893 298.8289 -209.6131 -175.4296 557609.5906 -7.1873 -7.3015 PRESSURE: 4497800 73.0233 -14.0892 55.063 -14.0881 -67.4012 -14.401 55.0636 -14.3998 39.2781 GPRESSURE: 4497800 85.0872 6.9869 59.5926 54.9716 14.2777 -44.7736 17.1757 56.6413 37.9373 PRESSAVG: 4497800 -53.1166 18.9518 -18.0127 18.9518 80.347 51.8333 -18.0128 51.8333 0.980674 GPRESSAVG: 4497800 -52.621 18.1645 -14.0328 21.0873 80.6392 49.2082 -19.4421 52.4791 0.318259 TIMING: 4497800 CPU: 13516.7, 0.00306854/step Wall: 13516.7, 0.00306854/step, 0.428062 hours remaining, 207.929688 MB of memory in use. ENERGY: 4497800 724.7345 2114.2950 1940.6049 108.9533 -205965.3265 17799.0848 0.0000 0.0000 34093.2784 -149184.3755 297.7451 -183277.6539 -149091.5645 299.1411 14.9667 45.7674 558864.0984 9.4037 9.4455 PRESSURE: 4498000 -38.2122 222.595 60.8346 222.595 68.9962 -115.254 60.8348 -115.254 33.2343 GPRESSURE: 4498000 2.09865 221.657 110.318 168.558 75.7419 36.3947 52.6326 -181.293 64.1804 PRESSAVG: 4498000 -25.1886 8.97286 -2.07232 8.97297 3.01413 10.8022 -2.07232 10.8022 4.95353 GPRESSAVG: 4498000 -25.2474 7.53391 -5.87908 8.52398 2.61806 12.5881 -1.49728 10.4315 5.17181 TIMING: 4498000 CPU: 13517.3, 0.00303118/step Wall: 13517.3, 0.00303118/step, 0.422681 hours remaining, 207.929688 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: 4498000 757.3753 2038.9410 1939.3898 116.4987 -206251.9934 17896.2513 0.0000 0.0000 34387.6316 -149115.9057 300.3157 -183503.5372 -149015.5330 299.1127 21.3394 47.3403 557148.6503 -5.7403 -5.8192 PRESSURE: 4498200 106.589 -166.082 2.50671 -166.083 -41.8791 77.2756 2.50759 77.2761 -205.477 GPRESSURE: 4498200 70.4831 -150.177 2.16666 -145.462 -4.41985 49.469 5.47398 75.0083 -110.197 PRESSAVG: 4498200 63.5594 5.23943 19.1543 5.2394 13.2504 20.2959 19.1544 20.296 -69.7067 GPRESSAVG: 4498200 63.017 8.23052 21.7866 4.82352 12.8254 20.6902 17.9614 19.1048 -68.8339 TIMING: 4498200 CPU: 13517.9, 0.00303615/step Wall: 13517.9, 0.00303615/step, 0.423206 hours remaining, 207.929688 MB of memory in use. ENERGY: 4498200 736.2256 2102.1447 1959.2844 106.5482 -205822.3831 17665.6112 0.0000 0.0000 34075.7860 -149176.7831 297.5923 -183252.5690 -149076.7359 299.3947 -46.9223 -14.7112 557646.4829 2.3677 2.3361 PRESSURE: 4498400 -209.09 -69.6767 12.9216 -69.6763 -239.785 20.778 12.9206 20.779 -46.3865 GPRESSURE: 4498400 -132.951 -43.2506 -10.8728 -62.2343 -228.71 8.9421 87.9316 6.16292 -27.3164 PRESSAVG: 4498400 -7.24512 -27.9007 0.615792 -27.9007 -16.9396 44.3146 0.61589 44.3147 21.5295 GPRESSAVG: 4498400 -7.03482 -29.955 2.55149 -27.8179 -17.4093 42.6649 0.150576 43.5999 21.5284 TIMING: 4498400 CPU: 13518.5, 0.00302497/step Wall: 13518.5, 0.00302496/step, 0.421478 hours remaining, 207.929688 MB of memory in use. ENERGY: 4498400 760.1121 2117.8241 1939.3473 115.9916 -205777.3112 17458.4237 0.0000 0.0000 34259.3157 -149126.2966 299.1951 -183385.6123 -149027.2191 299.2152 -165.0872 -129.6591 556960.2035 -0.8851 -0.9719 PRESSURE: 4498600 24.474 177.223 5.41911 177.223 3.09224 247.493 5.41969 247.492 -65.8573 GPRESSURE: 4498600 50.4063 153.196 43.6808 149.197 -9.7326 227.013 -18.9458 284.893 16.965 PRESSAVG: 4498600 -18.9136 -32.4103 -38.0085 -32.4103 -8.744 12.3383 -38.0086 12.3382 28.2413 GPRESSAVG: 4498600 -20.0912 -32.5402 -40.927 -32.3172 -7.95317 14.3666 -36.969 14.4264 27.8703 TIMING: 4498600 CPU: 13519.1, 0.0030241/step Wall: 13519.1, 0.0030241/step, 0.42119 hours remaining, 208.187500 MB of memory in use. ENERGY: 4498600 746.3080 2076.1118 1939.2416 102.3179 -206034.8266 17738.2589 0.0000 0.0000 34259.2652 -149173.3233 299.1947 -183432.5885 -149074.5113 299.4110 -12.7637 19.2129 558470.6077 0.1946 -0.0581 PRESSURE: 4498800 30.6106 -105.503 99.5119 -105.504 -197.449 -16.3117 99.5115 -16.3098 -126.91 GPRESSURE: 4498800 13.0255 -83.193 65.1436 -179.011 -162.035 -51.597 159.906 -19.2269 -53.1951 PRESSAVG: 4498800 -5.70126 -56.9374 -20.8881 -56.9375 37.3722 -14.6803 -20.888 -14.6804 17.5202 GPRESSAVG: 4498800 -5.28917 -57.2716 -20.248 -56.6993 38.1036 -14.0943 -21.4491 -16.1186 16.3841 TIMING: 4498800 CPU: 13519.7, 0.00305687/step Wall: 13519.7, 0.00305687/step, 0.425584 hours remaining, 208.187500 MB of memory in use. ENERGY: 4498800 709.1047 2116.5923 1946.1244 124.4564 -205616.0831 17376.9757 0.0000 0.0000 34187.3120 -149155.5175 298.5663 -183342.8295 -149060.5265 299.2967 -97.9163 -67.4016 557213.2156 16.3970 16.3995 PRESSURE: 4499000 -282.173 159.749 -84.2134 159.75 218.969 -39.216 -84.2137 -39.2152 -113.494 GPRESSURE: 4499000 -224.209 137.076 -13.3844 123.063 215.468 -106.249 -97.4645 -97.7612 -68.862 PRESSAVG: 4499000 43.5527 -50.1907 -59.2083 -50.1908 35.249 -43.6326 -59.2082 -43.6326 -45.0769 GPRESSAVG: 4499000 43.0897 -48.1017 -61.3465 -49.6134 34.6257 -44.3302 -58.4937 -44.7351 -44.3667 TIMING: 4499000 CPU: 13520.3, 0.00304365/step Wall: 13520.3, 0.00304365/step, 0.423574 hours remaining, 208.187500 MB of memory in use. ENERGY: 4499000 736.0411 2115.3531 1962.0844 117.0292 -206133.5145 17809.5797 0.0000 0.0000 34360.9630 -149032.4640 300.0828 -183393.4271 -148935.9796 299.0863 -58.8993 -25.8674 558176.7775 11.2416 11.1162 PRESSURE: 4499200 -211.487 64.8982 -20.2431 64.8986 1.04565 115.418 -20.2431 115.418 -306.168 GPRESSURE: 4499200 -145.438 79.284 -8.34297 64.7315 -18.9442 134.343 -2.43771 103.432 -253.293 PRESSAVG: 4499200 -46.1426 5.77964 -12.666 5.77966 40.9732 -15.4076 -12.6661 -15.4075 -14.2049 GPRESSAVG: 4499200 -44.3395 3.81414 -10.5029 6.0178 39.7686 -11.8034 -13.1376 -16.035 -14.7837 TIMING: 4499200 CPU: 13520.9, 0.00302213/step Wall: 13520.9, 0.00302213/step, 0.420411 hours remaining, 208.187500 MB of memory in use. ENERGY: 4499200 738.6653 2099.4648 1924.6476 110.7411 -205971.3262 17490.8783 0.0000 0.0000 34474.4160 -149132.5131 301.0736 -183606.9291 -149038.9513 299.2965 -172.2033 -139.2251 559287.9438 -6.4581 -6.4515 PRESSURE: 4499400 -168.188 74.8727 69.9459 74.872 19.699 -88.0309 69.9446 -88.0305 -54.2998 GPRESSURE: 4499400 -73.9202 65.586 131.835 35.7195 56.253 -157.568 87.4318 -33.1789 -81.7205 PRESSAVG: 4499400 5.31352 4.54828 -45.2376 4.54822 22.9102 28.3236 -45.2377 28.3235 20.9153 GPRESSAVG: 4499400 5.20222 5.91298 -45.5345 4.28655 22.8841 24.1229 -44.1068 29.232 21.1693 TIMING: 4499400 CPU: 13521.5, 0.00301872/step Wall: 13521.5, 0.00301872/step, 0.41977 hours remaining, 208.187500 MB of memory in use. ENERGY: 4499400 710.2254 2062.2511 1941.1211 114.6113 -205835.5764 17653.4663 0.0000 0.0000 34329.9757 -149023.9254 299.8122 -183353.9011 -148935.6109 300.3226 -67.5963 -33.1292 558778.5366 16.3797 16.4186 PRESSURE: 4499600 3.92709 -60.0857 -151.241 -60.0864 81.4196 91.6627 -151.241 91.6635 -193.862 GPRESSURE: 4499600 28.9771 24.3854 -121.979 -77.8357 103.684 128.508 -162.93 138.592 -140.254 PRESSAVG: 4499600 -6.72859 -22.0546 -33.5195 -22.0547 -10.2492 -38.7194 -33.5194 -38.7194 1.68017 GPRESSAVG: 4499600 -7.35478 -23.7634 -33.2593 -21.0397 -9.35655 -38.3377 -33.4824 -36.9176 1.86328 TIMING: 4499600 CPU: 13522.1, 0.00302159/step Wall: 13522.1, 0.00302159/step, 0.420001 hours remaining, 208.187500 MB of memory in use. ENERGY: 4499600 784.5861 2029.6669 1922.6256 105.8864 -205919.8780 17762.9151 0.0000 0.0000 34199.3165 -149114.8814 298.6711 -183314.1979 -149021.5665 300.2837 -36.1718 -2.5309 558996.9482 -5.0992 -4.9494 PRESSURE: 4499800 162.985 92.7601 -14.6195 92.7602 -138.445 -78.6592 -14.6208 -78.6575 -127.034 GPRESSURE: 4499800 203.583 170.613 25.6007 -25.9705 -83.0953 -104.301 -24.3192 -54.0324 -126.64 PRESSAVG: 4499800 36.4426 -31.4898 -83.2084 -31.4898 -27.6282 -14.0742 -83.2084 -14.0742 20.306 GPRESSAVG: 4499800 36.9761 -31.4398 -82.7588 -31.7032 -28.0302 -13.6862 -83.6657 -14.1014 20.2807 TIMING: 4499800 CPU: 13522.7, 0.00301984/step Wall: 13522.7, 0.00301984/step, 0.41959 hours remaining, 208.187500 MB of memory in use. ENERGY: 4499800 755.1960 2032.9673 1937.1198 124.5680 -206253.4999 17782.9195 0.0000 0.0000 34412.3101 -149208.4192 300.5313 -183620.7293 -149107.4426 299.8365 -34.1646 -2.0505 558427.4679 9.7068 9.7422 PRESSURE: 4500000 388.665 -73.6274 -91.7135 -73.6278 -6.04645 -59.6414 -91.7137 -59.6429 101.426 GPRESSURE: 4500000 385.863 -108.277 -109.66 -56.3865 63.605 -93.5799 -86.7468 -33.4569 137.68 PRESSAVG: 4500000 66.3327 -1.29003 -12.5029 -1.29007 -6.15227 41.3796 -12.5029 41.3796 -81.4343 GPRESSAVG: 4500000 66.7568 -0.168454 -11.9221 0.214671 -7.19191 44.4208 -13.1083 39.2213 -80.6849 TIMING: 4500000 CPU: 13523.3, 0.00301832/step Wall: 13523.3, 0.00301832/step, 0.419211 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: 4500000 696.0135 2088.0015 1934.8638 109.5860 -206516.5600 18120.7913 0.0000 0.0000 34353.9590 -149213.3450 300.0217 -183567.3040 -149114.6469 299.0778 161.3481 195.7161 557302.8717 -7.0846 -7.0400 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4500000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4500000 WRITING COORDINATES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4500000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4500200 -212.921 -49.6335 -95.7879 -49.6348 -168.414 -287.986 -95.7885 -287.987 -121.904 GPRESSURE: 4500200 -146.582 4.75562 -41.904 -67.1073 -121.73 -245.822 -62.5757 -348.368 -126.772 PRESSAVG: 4500200 34.9956 44.837 -17.8687 44.837 -58.6615 -10.7633 -17.8686 -10.7632 7.30465 GPRESSAVG: 4500200 35.6907 44.4834 -16.6416 43.4887 -58.6665 -13.669 -20.6401 -9.17994 6.42215 TIMING: 4500200 CPU: 13523.9, 0.00311665/step Wall: 13523.9, 0.00311665/step, 0.432694 hours remaining, 208.187500 MB of memory in use. ENERGY: 4500200 738.5557 2099.9432 1929.3801 107.7672 -206004.4394 17683.0716 0.0000 0.0000 34464.9073 -148980.8143 300.9906 -183445.7216 -148881.4388 299.7293 -167.7462 -131.6945 557406.0073 -5.4537 -5.5179 LDB: ============= START OF LOAD BALANCING ============== 13527.4 LDB: ============== END OF LOAD BALANCING =============== 13527.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13527.4 LDB: ============= START OF LOAD BALANCING ============== 13527.7 LDB: Largest compute 4820 load 0.025969 is 22.0% of average load 0.118172 LDB: Average compute 0.001740 is 1.5% of average load 0.118172 LDB: TIME 13527.7 LOAD: AVG 0.118172 MAX 0.214566 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.906 MB LDB: TIME 13527.7 LOAD: AVG 0.118172 MAX 0.214566 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.91 MB LDB: TIME 13527.7 LOAD: AVG 0.118172 MAX 0.214566 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.91 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13527.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13527.7 PRESSURE: 4500400 51.968 68.7293 -40.0316 68.7296 146.983 162.815 -40.0314 162.816 56.8649 GPRESSURE: 4500400 108.545 54.3036 -3.46226 23.1076 141.169 228.536 -49.2552 175.714 121.009 PRESSAVG: 4500400 17.4581 10.7329 -32.4604 10.7329 -43.8659 -2.30734 -32.4604 -2.3073 21.8041 GPRESSAVG: 4500400 17.2049 9.73709 -35.7682 10.4031 -44.0396 1.07567 -29.6754 -4.33569 21.7796 TIMING: 4500400 CPU: 13524.6, 0.00310251/step Wall: 13524.6, 0.00310251/step, 0.43056 hours remaining, 208.960938 MB of memory in use. ENERGY: 4500400 744.3222 2018.1394 1946.1943 104.8523 -205778.3664 17758.0138 0.0000 0.0000 34397.7364 -148809.1080 300.4040 -183206.8444 -148713.1853 300.2602 85.2719 123.5743 556983.6978 -1.5346 -1.6850 PRESSURE: 4500600 148.834 -56.9289 -8.03234 -56.9295 109.846 47.175 -8.0336 47.1746 407.819 GPRESSURE: 4500600 171.877 -52.6154 -39.4227 -87.4238 171.09 60.1315 17.5539 68.1034 416.574 PRESSAVG: 4500600 -34.8357 37.1847 -51.0812 37.1847 -29.6881 70.5881 -51.0812 70.5879 43.9901 GPRESSAVG: 4500600 -35.1502 37.0116 -48.4207 37.6733 -28.3346 69.1195 -49.6108 72.9608 42.9163 TIMING: 4500600 CPU: 13525.2, 0.00304618/step Wall: 13525.2, 0.00304618/step, 0.422573 hours remaining, 208.960938 MB of memory in use. ENERGY: 4500600 707.8908 2041.3248 1928.9886 116.3599 -205930.8044 17816.8466 0.0000 0.0000 34445.7050 -148873.6887 300.8229 -183319.3937 -148775.6503 299.9944 222.1666 253.1807 554432.9005 -6.8445 -6.8561 PRESSURE: 4500800 -28.0686 -6.45183 -48.4823 -6.45324 78.0525 45.7234 -48.4809 45.7243 183.748 GPRESSURE: 4500800 10.0783 5.14499 -77.979 44.9112 110.047 23.5314 15.9395 -1.42233 215.289 PRESSAVG: 4500800 32.6973 -4.28951 37.1431 -4.28955 -6.78758 66.8345 37.1431 66.8345 -14.8923 GPRESSAVG: 4500800 32.0343 -4.55866 36.04 -4.05881 -6.83628 66.1538 34.5035 67.1056 -13.5993 TIMING: 4500800 CPU: 13525.8, 0.00301584/step Wall: 13525.8, 0.00301584/step, 0.418196 hours remaining, 208.960938 MB of memory in use. ENERGY: 4500800 719.1722 2101.0920 1932.1736 107.5077 -205699.6774 17636.4800 0.0000 0.0000 34327.0068 -148876.2452 299.7863 -183203.2520 -148775.6150 299.9969 77.9106 111.8047 555522.1321 3.6725 3.8662 PRESSURE: 4501000 80.7097 73.3324 52.1047 73.3305 -49.1891 74.797 52.1053 74.7975 -119.164 GPRESSURE: 4501000 90.4531 49.6668 -49.1794 55.9559 -18.6608 65.2345 80.6343 97.8604 -78.996 PRESSAVG: 4501000 48.5271 5.52602 -32.6743 5.52605 -3.41276 66.5056 -32.6743 66.5056 -17.5802 GPRESSAVG: 4501000 50.115 4.59507 -33.4647 5.0064 -4.39141 66.2755 -29.539 64.2322 -18.3827 TIMING: 4501000 CPU: 13526.4, 0.00300065/step Wall: 13526.4, 0.00300065/step, 0.415923 hours remaining, 208.960938 MB of memory in use. ENERGY: 4501000 750.0442 2063.9728 1932.9074 122.8414 -205736.5934 17563.4823 0.0000 0.0000 34391.5525 -148911.7929 300.3500 -183303.3454 -148814.0015 300.5947 -29.2146 -2.4012 557417.6243 9.1781 9.1136 PRESSURE: 4501200 20.4596 -131.493 -5.3135 -131.494 105.232 37.8213 -5.31259 37.821 -90.2327 GPRESSURE: 4501200 39.3901 -68.4716 -64.2731 -145.294 142.976 38.5136 16.168 3.68259 -45.5321 PRESSAVG: 4501200 5.12831 9.96997 -31.5076 9.96991 6.88375 -13.5477 -31.5077 -13.5477 -53.7758 GPRESSAVG: 4501200 5.80616 10.8258 -30.369 11.0517 7.17331 -13.6817 -32.6039 -14.5604 -54.2205 TIMING: 4501200 CPU: 13527, 0.00299054/step Wall: 13527, 0.00299054/step, 0.414356 hours remaining, 208.960938 MB of memory in use. ENERGY: 4501200 744.2619 2154.3566 1940.6632 109.7597 -206017.0170 17808.7595 0.0000 0.0000 34141.6148 -149117.6014 298.1672 -183259.2161 -149022.3114 299.1070 11.8197 45.6112 558311.6487 -13.9212 -13.7470 PRESSURE: 4501400 238.242 61.2702 81.8316 61.2695 87.2316 -22.5888 81.8318 -22.5904 -56.5825 GPRESSURE: 4501400 256.298 16.2441 161.938 -11.3636 89.4287 28.458 33.2986 -73.1293 22.8632 PRESSAVG: 4501400 51.1486 8.76785 -7.1333 8.76782 -53.0154 -28.5246 -7.13335 -28.5244 -4.56624 GPRESSAVG: 4501400 50.6913 10.6745 -7.26851 6.30189 -52.8915 -28.9307 -7.78411 -27.5557 -4.42904 TIMING: 4501400 CPU: 13527.6, 0.00301571/step Wall: 13527.6, 0.00301571/step, 0.417675 hours remaining, 208.960938 MB of memory in use. ENERGY: 4501400 788.1779 2112.1929 1955.6397 113.1623 -206470.2863 18065.4997 0.0000 0.0000 34356.3064 -149079.3073 300.0422 -183435.6137 -148981.0588 299.2837 89.6303 122.8631 557257.9070 -2.1443 -2.2097 PRESSURE: 4501600 28.8666 65.0141 65.0336 65.0146 -9.38081 138.983 65.0341 138.984 -156.907 GPRESSURE: 4501600 46.7288 19.8598 -13.3195 -4.96986 69.787 159.655 94.9438 199.042 -154.157 PRESSAVG: 4501600 22.56 -27.7818 -1.40718 -27.7817 19.2629 16.9163 -1.40728 16.9163 22.1372 GPRESSAVG: 4501600 22.1933 -28.4221 -0.786759 -27.3681 19.7935 19.1905 -0.793418 15.8744 22.0593 TIMING: 4501600 CPU: 13528.2, 0.00301195/step Wall: 13528.2, 0.00301195/step, 0.416987 hours remaining, 208.960938 MB of memory in use. ENERGY: 4501600 737.0397 2087.6173 1950.1757 111.2304 -206159.0697 17815.2508 0.0000 0.0000 34294.9435 -149162.8123 299.5063 -183457.7558 -149068.5956 299.9906 -45.8072 -12.5470 558807.8036 21.3200 21.3487 PRESSURE: 4501800 -335.801 -165.047 -150.059 -165.048 69.5262 108.246 -150.059 108.246 -274.914 GPRESSURE: 4501800 -297.478 -211.43 -226.988 -206.262 110.858 89.9893 -165.884 63.4616 -249.781 PRESSAVG: 4501800 -46.04 -19.049 -51.6801 -19.0491 60.2233 -38.4593 -51.68 -38.4592 -37.4915 GPRESSAVG: 4501800 -45.9742 -18.6201 -54.3608 -19.0888 60.8982 -40.7655 -51.7173 -34.4208 -37.8947 TIMING: 4501800 CPU: 13528.8, 0.00301542/step Wall: 13528.8, 0.00301542/step, 0.417301 hours remaining, 208.960938 MB of memory in use. ENERGY: 4501800 730.8209 2037.0321 1945.8838 123.1222 -206012.7626 17623.4199 0.0000 0.0000 34269.6009 -149282.8828 299.2849 -183552.4837 -149187.0511 298.9385 -180.3961 -145.4669 557276.0982 -7.7694 -7.6569 PRESSURE: 4502000 -83.1757 34.9054 -8.9251 34.9056 -163.675 190.829 -8.92542 190.827 -183.649 GPRESSURE: 4502000 -48.6446 13.0921 -49.4474 -54.7317 -99.9646 176.446 -65.7608 132.963 -174.534 PRESSAVG: 4502000 5.19242 -69.1248 -44.8086 -69.1248 23.2884 68.135 -44.8087 68.1349 -31.76 GPRESSAVG: 4502000 4.9108 -70.9805 -42.7112 -67.4679 23.1916 66.936 -45.0647 67.2809 -31.3519 TIMING: 4502000 CPU: 13529.4, 0.0030358/step Wall: 13529.4, 0.0030358/step, 0.419953 hours remaining, 208.960938 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: 4502000 754.5388 2070.1775 1931.6399 116.5360 -205817.0389 17461.4060 0.0000 0.0000 34251.3062 -149231.4343 299.1252 -183482.7405 -149133.1002 298.6356 -143.4999 -107.7145 557536.3190 -1.0931 -1.0832 PRESSURE: 4502200 -46.7703 46.8865 -156.2 46.885 -80.3838 8.19061 -156.201 8.19031 -113.736 GPRESSURE: 4502200 -4.51584 28.7744 -127.778 -44.848 -65.8442 61.1532 -159.542 -19.1296 -62.7176 PRESSAVG: 4502200 -58.2947 -27.2325 -46.3204 -27.2325 88.5754 14.3275 -46.3204 14.3275 -35.8237 GPRESSAVG: 4502200 -57.6913 -25.3935 -46.9879 -28.1483 87.6051 14.8745 -46.5035 14.1897 -35.3748 TIMING: 4502200 CPU: 13530, 0.00302218/step Wall: 13530, 0.00302218/step, 0.4179 hours remaining, 208.960938 MB of memory in use. ENERGY: 4502200 749.5336 2072.6991 1940.1385 120.4300 -205994.0223 17731.9662 0.0000 0.0000 34244.0676 -149135.1873 299.0620 -183379.2550 -149040.8454 299.7335 -80.2968 -44.3592 557603.6138 -1.8477 -1.8203 PRESSURE: 4502400 -53.8258 -59.0477 191.515 -59.0488 -52.6937 -132.463 191.514 -132.464 -327.974 GPRESSURE: 4502400 -66.8478 -48.2939 210.216 76.9864 -18.1679 -163.597 147.199 -106.885 -265.222 PRESSAVG: 4502400 2.69352 11.2134 -92.2152 11.2134 30.2839 20.8339 -92.2152 20.834 14.1666 GPRESSAVG: 4502400 1.65571 9.60206 -91.1142 13.0601 30.2476 22.1133 -91.0557 19.9936 14.806 TIMING: 4502400 CPU: 13530.6, 0.00306732/step Wall: 13530.6, 0.00306732/step, 0.423971 hours remaining, 208.960938 MB of memory in use. ENERGY: 4502400 751.8095 2045.7749 1923.4229 114.7177 -206165.6408 17757.7643 0.0000 0.0000 34475.1363 -149097.0153 301.0799 -183572.1516 -149005.5214 298.7509 -144.8313 -116.7458 560051.7379 15.7147 15.5698 PRESSURE: 4502600 225.05 -153.418 106.256 -153.419 129.91 105.675 106.257 105.675 165.526 GPRESSURE: 4502600 237.513 -88.2507 41.0887 -172.808 211.907 156.586 107.656 92.6646 172.785 PRESSAVG: 4502600 -46.3887 -40.309 -19.8355 -40.309 -14.4462 59.8966 -19.8356 59.8966 55.0182 GPRESSAVG: 4502600 -46.0319 -40.6992 -20.1284 -43.218 -14.7951 59.1902 -20.9601 61.7116 55.1031 TIMING: 4502600 CPU: 13531.2, 0.00302808/step Wall: 13531.2, 0.00302808/step, 0.41838 hours remaining, 208.960938 MB of memory in use. ENERGY: 4502600 739.1136 2039.5485 1950.8687 125.4769 -206504.2751 18091.8364 0.0000 0.0000 34575.5913 -148981.8397 301.9572 -183557.4310 -148888.7984 299.9352 173.4952 207.4017 557832.2047 -1.9389 -1.9080 PRESSURE: 4502800 117.786 -14.5247 -65.6241 -14.5251 -61.3087 84.9365 -65.6241 84.9354 61.5386 GPRESSURE: 4502800 130.988 85.5189 -107.127 -98.6823 5.62812 103.062 72.573 100.292 84.6475 PRESSAVG: 4502800 -35.3469 19.031 -0.76023 19.0309 -49.2815 21.5158 -0.760257 21.5157 100.511 GPRESSAVG: 4502800 -35.8532 19.4181 -1.73176 18.8059 -48.1449 21.7331 -0.103271 19.0593 99.7948 TIMING: 4502800 CPU: 13531.8, 0.00304141/step Wall: 13531.8, 0.00304141/step, 0.420053 hours remaining, 208.960938 MB of memory in use. ENERGY: 4502800 734.2835 2061.9609 1940.6308 121.2476 -205971.2591 17750.6793 0.0000 0.0000 34407.1163 -148955.3407 300.4859 -183362.4570 -148856.7789 299.7375 39.3385 73.7547 558247.3088 5.2943 5.2656 PRESSURE: 4503000 -108.738 243.292 -124.823 243.293 -54.8361 -26.293 -124.822 -26.2924 -161.844 GPRESSURE: 4503000 -31.7073 252.71 -130.385 249.808 -26.4794 -8.32786 -238.211 68.3528 -174.377 PRESSAVG: 4503000 -15.3921 23.0062 -11.9966 23.0062 -15.6396 -13.211 -11.9965 -13.2109 32.6544 GPRESSAVG: 4503000 -14.6743 22.3314 -11.9854 24.8884 -16.5453 -11.3447 -12.4118 -11.9308 33.1519 TIMING: 4503000 CPU: 13532.4, 0.00304578/step Wall: 13532.4, 0.00304578/step, 0.420487 hours remaining, 208.960938 MB of memory in use. ENERGY: 4503000 771.8431 2058.0888 1944.2459 104.6164 -206045.6382 17752.5899 0.0000 0.0000 34152.3834 -149261.8706 298.2613 -183414.2540 -149170.1121 299.3593 -108.4728 -77.5211 558136.5405 0.5409 0.6441 PRESSURE: 4503200 6.42766 -95.9748 -127.959 -95.9729 -253.293 124.314 -127.96 124.314 280.547 GPRESSURE: 4503200 36.1613 -37.3909 -130.397 -168.916 -147.63 26.4405 -59.5046 235.707 230.346 PRESSAVG: 4503200 -22.1087 11.9083 -17.9715 11.9083 -6.76274 -4.69605 -17.9716 -4.69589 15.225 GPRESSAVG: 4503200 -22.7237 13.7612 -18.2016 10.4934 -6.02417 -6.01727 -17.3529 -5.63492 15.4747 TIMING: 4503200 CPU: 13533, 0.00303997/step Wall: 13533, 0.00303997/step, 0.419516 hours remaining, 208.960938 MB of memory in use. ENERGY: 4503200 777.0951 2080.3690 1961.6056 107.1960 -206161.1601 17878.6768 0.0000 0.0000 34082.3339 -149273.8837 297.6495 -183356.2176 -149181.4813 298.9203 11.2272 39.6258 558030.5909 -4.5488 -4.4244 PRESSURE: 4503400 -282.196 -95.2493 169.191 -95.2492 -281.726 -6.77292 169.192 -6.77378 -152.028 GPRESSURE: 4503400 -223.762 -90.8466 95.0909 -62.4347 -267.751 -36.0617 101.717 8.31757 -131.521 PRESSAVG: 4503400 -37.7209 -26.8306 2.46907 -26.8305 25.9892 -70.49 2.46906 -70.49 -19.4133 GPRESSAVG: 4503400 -38.3432 -26.3722 2.1117 -26.0821 27.6271 -70.9856 0.352418 -69.8337 -20.4249 TIMING: 4503400 CPU: 13533.6, 0.00303422/step Wall: 13533.6, 0.00303422/step, 0.418554 hours remaining, 208.960938 MB of memory in use. ENERGY: 4503400 756.4498 2077.3954 1923.9036 107.3979 -205941.2692 17631.3401 0.0000 0.0000 34298.8043 -149145.9778 299.5400 -183444.7822 -149053.3118 300.3022 -238.6503 -207.6781 559413.1599 -10.3817 -10.3803 PRESSURE: 4503600 -150.102 -129.059 73.2408 -129.061 187.086 -6.82834 73.2413 -6.82957 4.75438 GPRESSURE: 4503600 -95.2926 -132.469 79.2743 -32.018 165.221 -22.863 102.75 21.0912 70.1326 PRESSAVG: 4503600 -28.3334 34.0271 -33.1808 34.0271 -15.5315 6.35804 -33.1809 6.35811 37.0342 GPRESSAVG: 4503600 -27.9515 32.5587 -31.1862 36.0304 -16.6877 6.95143 -29.8646 5.85071 37.617 TIMING: 4503600 CPU: 13534.3, 0.00304235/step Wall: 13534.3, 0.00304235/step, 0.419507 hours remaining, 208.960938 MB of memory in use. ENERGY: 4503600 746.2247 2081.4482 1948.1384 114.8922 -206138.0464 17936.5439 0.0000 0.0000 34104.8521 -149205.9468 297.8462 -183310.7989 -149100.8417 298.9226 13.9128 46.6870 558679.3797 -2.2769 -2.3407 PRESSURE: 4503800 -166.048 -51.1587 -130.194 -51.158 160.603 -37.9161 -130.193 -37.9156 -83.1636 GPRESSURE: 4503800 -110.025 -120.313 -112.354 -165.912 162.88 -43.5591 -120.83 -14.4496 -36.4377 PRESSAVG: 4503800 -28.4061 26.7444 41.9712 26.7444 -11.4342 -22.0632 41.9712 -22.0633 37.2964 GPRESSAVG: 4503800 -28.9527 25.2068 43.2448 24.2382 -11.0481 -24.7586 39.7733 -18.9349 37.9988 TIMING: 4503800 CPU: 13534.9, 0.00302014/step Wall: 13534.9, 0.00302014/step, 0.416276 hours remaining, 208.960938 MB of memory in use. ENERGY: 4503800 728.6230 2105.4759 1937.1929 102.5170 -206038.4009 17719.2536 0.0000 0.0000 34193.6068 -149251.7316 298.6213 -183445.3385 -149162.3908 298.5385 -29.5360 5.4726 558992.4635 -0.8479 -0.6673 PRESSURE: 4504000 -223.73 -25.9679 -335.845 -25.9674 -54.0839 -71.2946 -335.845 -71.2929 -177.05 GPRESSURE: 4504000 -188.985 -52.1279 -417.158 13.1301 -21.0705 -48.942 -289.373 -130.99 -140.829 PRESSAVG: 4504000 20.8632 -6.57682 -43.682 -6.57678 -62.4707 -25.1893 -43.682 -25.1893 9.59351 GPRESSAVG: 4504000 21.8863 -6.07931 -46.6992 -6.9811 -63.0346 -25.3138 -41.61 -25.4772 9.39964 TIMING: 4504000 CPU: 13535.5, 0.00302666/step Wall: 13535.5, 0.00302666/step, 0.417007 hours remaining, 208.960938 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: 4504000 744.3315 2031.2526 1963.1294 114.7246 -205717.2569 17589.0346 0.0000 0.0000 33935.0382 -149339.7461 296.3631 -183274.7843 -149243.1702 299.2447 -151.6213 -116.9615 557739.3358 -10.6714 -10.5829 PRESSURE: 4504200 -19.8919 -1.81093 -53.4259 -1.81093 -335.326 117.977 -53.4255 117.977 -185.526 GPRESSURE: 4504200 -36.8745 -20.2294 -68.0899 -17.3896 -244.45 136.972 -131.527 161.915 -158.307 PRESSAVG: 4504200 11.1631 -25.5411 -44.3531 -25.5411 -23.4324 -17.8007 -44.3531 -17.8006 -5.46133 GPRESSAVG: 4504200 10.6123 -23.911 -41.3332 -26.2207 -23.4915 -15.1888 -46.3477 -20.1563 -5.02159 TIMING: 4504200 CPU: 13536.1, 0.00301319/step Wall: 13536.1, 0.00301319/step, 0.414983 hours remaining, 208.960938 MB of memory in use. ENERGY: 4504200 757.7947 2042.2621 1955.3642 121.2316 -206350.0255 17734.1619 0.0000 0.0000 34252.0627 -149487.1482 299.1318 -183739.2109 -149391.1387 298.6371 -180.2479 -146.5436 556863.6382 -5.9102 -5.9670 LDB: ============= START OF LOAD BALANCING ============== 13539.5 LDB: ============== END OF LOAD BALANCING =============== 13539.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13539.5 LDB: ============= START OF LOAD BALANCING ============== 13539.8 LDB: Largest compute 4820 load 0.026520 is 22.4% of average load 0.118148 LDB: Average compute 0.001739 is 1.5% of average load 0.118148 LDB: TIME 13539.8 LOAD: AVG 0.118148 MAX 0.211759 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.82 MB LDB: TIME 13539.8 LOAD: AVG 0.118148 MAX 0.211759 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.883 MB LDB: TIME 13539.8 LOAD: AVG 0.118148 MAX 0.211759 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.883 MB LDB: ============== END OF LOAD BALANCING =============== 13539.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13539.8 PRESSURE: 4504400 288.252 22.0702 -26.6743 22.0704 -235.545 3.20871 -26.6738 3.20869 109.317 GPRESSURE: 4504400 319.359 71.6749 9.76218 -57.0249 -159.013 8.94109 -19.7094 58.7411 109.014 PRESSAVG: 4504400 -26.5945 -52.2105 -31.2082 -52.2105 -24.7257 -32.615 -31.2082 -32.615 47.5831 GPRESSAVG: 4504400 -26.3286 -51.3019 -32.0852 -52.5428 -23.692 -33.2668 -30.6516 -31.2426 46.5778 TIMING: 4504400 CPU: 13536.7, 0.00308528/step Wall: 13536.7, 0.00308528/step, 0.42474 hours remaining, 208.355469 MB of memory in use. ENERGY: 4504400 712.7992 2085.7425 1931.2019 117.4710 -206189.8105 17792.6232 0.0000 0.0000 34145.6905 -149404.2822 298.2028 -183549.9727 -149314.5047 298.6458 54.0077 89.7870 556977.1458 -1.2457 -1.1476 PRESSURE: 4504600 -264.003 -86.1188 43.1869 -86.1201 -259.447 69.3919 43.1871 69.3915 85.1005 GPRESSURE: 4504600 -189.77 -128.082 57.5824 -67.3298 -173.328 140.229 27.4254 6.68554 34.2933 PRESSAVG: 4504600 -16.1355 -12.5875 -48.4146 -12.5876 -0.473743 10.415 -48.4146 10.415 17.8896 GPRESSAVG: 4504600 -16.2878 -13.3158 -49.5889 -10.7524 -1.24497 9.17099 -48.4856 10.0046 18.5407 TIMING: 4504600 CPU: 13537.3, 0.00301504/step Wall: 13537.3, 0.00301504/step, 0.414903 hours remaining, 208.558594 MB of memory in use. ENERGY: 4504600 764.3286 2053.6591 1959.0742 117.4643 -206166.5205 17670.8953 0.0000 0.0000 34186.5640 -149414.5349 298.5598 -183601.0989 -149307.7130 298.7172 -146.1164 -109.6016 556956.4736 0.4268 0.3360 PRESSURE: 4504800 -209.956 176.18 -18.1371 176.18 -192.894 20.4473 -18.1368 20.4462 -180.229 GPRESSURE: 4504800 -174.831 179.867 -34.6936 200.283 -158.972 24.5489 -89.5651 36.1899 -153.098 PRESSAVG: 4504800 -24.5359 -10.2987 -24.1705 -10.2987 18.0579 -4.42636 -24.1704 -4.42636 1.82543 GPRESSAVG: 4504800 -24.3026 -9.13306 -23.1547 -9.08792 17.3905 -0.888983 -25.2488 -5.40547 1.75853 TIMING: 4504800 CPU: 13537.9, 0.00299877/step Wall: 13537.9, 0.00299877/step, 0.412498 hours remaining, 208.558594 MB of memory in use. ENERGY: 4504800 728.0156 2085.1934 1928.2210 123.5100 -205888.6629 17478.9387 0.0000 0.0000 34170.9793 -149373.8049 298.4237 -183544.7842 -149275.6493 298.6835 -194.3599 -162.3005 557699.6784 -1.5509 -1.7178 PRESSURE: 4505000 -63.1443 88.1992 -31.2203 88.1995 -64.8275 156.692 -31.22 156.691 -79.3045 GPRESSURE: 4505000 10.1241 111.807 -40.8857 58.2207 -20.965 102.44 -40.7656 131.332 -110.439 PRESSAVG: 4505000 -41.4446 -6.61285 -0.44683 -6.61287 37.0546 12.7871 -0.446809 12.7871 16.9314 GPRESSAVG: 4505000 -40.3993 -7.91454 -1.18496 -7.97366 36.3971 11.6222 -0.226212 14.1189 16.4372 TIMING: 4505000 CPU: 13538.5, 0.00301376/step Wall: 13538.5, 0.00301376/step, 0.414392 hours remaining, 208.558594 MB of memory in use. ENERGY: 4505000 720.2067 2111.2027 1917.6136 111.0974 -206146.4735 17713.2643 0.0000 0.0000 34100.1116 -149472.9771 297.8048 -183573.0887 -149377.3061 298.3102 -69.0921 -40.4266 557358.5848 4.1805 4.1450 PRESSURE: 4505200 -87.2538 -38.5474 -61.3309 -38.547 -204.664 -67.6424 -61.3309 -67.6422 -164.017 GPRESSURE: 4505200 -42.7631 -25.8363 -6.20836 -79.9488 -190.614 -101.206 -104.297 -17.0033 -119.775 PRESSAVG: 4505200 29.4803 -3.36672 43.03 -3.36678 -5.78933 44.5335 43.03 44.5335 3.74086 GPRESSAVG: 4505200 28.6533 -3.52767 44.1904 -4.33658 -5.95874 43.0433 43.2033 45.9927 4.93479 TIMING: 4505200 CPU: 13539.1, 0.00303539/step Wall: 13539.1, 0.00303539/step, 0.417198 hours remaining, 208.558594 MB of memory in use. ENERGY: 4505200 760.0713 2127.4083 1942.6793 116.5800 -206076.4969 17649.4418 0.0000 0.0000 34114.6335 -149365.6827 297.9316 -183480.3161 -149273.6792 299.3683 -151.9783 -117.7175 557069.6051 9.1439 9.2098 PRESSURE: 4505400 -171.772 -4.84042 51.5323 -4.84069 3.25805 54.8518 51.5323 54.8522 -95.6773 GPRESSURE: 4505400 -135.804 -80.8365 7.45326 21.9058 51.3009 -16.9995 48.882 108.881 -85.995 PRESSAVG: 4505400 17.4392 41.7661 -2.87924 41.7659 23.6331 -44.485 -2.87913 -44.4849 -15.0642 GPRESSAVG: 4505400 17.6198 42.7143 -2.54097 43.2374 23.6978 -43.8015 -2.69647 -45.9213 -15.3818 TIMING: 4505400 CPU: 13539.7, 0.0030204/step Wall: 13539.7, 0.0030204/step, 0.414969 hours remaining, 208.558594 MB of memory in use. ENERGY: 4505400 771.7055 2066.4695 1935.4219 115.6891 -206033.6596 17649.8765 0.0000 0.0000 34179.6777 -149314.8195 298.4996 -183494.4972 -149221.0985 298.3607 -88.0637 -56.8326 556681.0731 8.6694 8.6453 PRESSURE: 4505600 -109.016 99.3398 -5.0281 99.3393 -81.7997 177.025 -5.02756 177.024 11.2624 GPRESSURE: 4505600 -92.7461 73.0185 12.6417 94.2171 -21.5474 261.707 -1.14811 163.737 36.1918 PRESSAVG: 4505600 -54.4039 59.764 -3.42817 59.764 11.5291 81.6419 -3.42823 81.6418 7.56006 GPRESSAVG: 4505600 -55.0693 58.3846 -3.33718 60.3399 13.0497 79.2977 -3.51998 83.159 6.96481 TIMING: 4505600 CPU: 13540.3, 0.00304074/step Wall: 13540.3, 0.00304074/step, 0.417595 hours remaining, 208.558594 MB of memory in use. ENERGY: 4505600 739.0834 2028.4862 1933.2181 106.2404 -206207.8095 17697.3062 0.0000 0.0000 34298.3513 -149405.1238 299.5360 -183703.4751 -149308.1162 298.6990 -59.8511 -26.0339 557144.7059 -11.7716 -11.6849 PRESSURE: 4505800 -169.992 -102.533 77.1878 -102.532 -151.38 15.2374 77.1868 15.2379 -101.714 GPRESSURE: 4505800 -197.586 -113.801 73.809 -74.9345 -116.026 -5.67408 129.034 70.2423 -20.2591 PRESSAVG: 4505800 -62.7824 2.31492 -39.0494 2.31475 92.13 76.0918 -39.0495 76.0918 -2.24702 GPRESSAVG: 4505800 -63.8319 2.69225 -41.7274 1.87465 91.6312 77.3857 -38.5164 75.8887 -0.965659 TIMING: 4505800 CPU: 13540.9, 0.00305751/step Wall: 13540.9, 0.00305751/step, 0.419729 hours remaining, 208.558594 MB of memory in use. ENERGY: 4505800 761.5366 2075.9212 1960.0937 118.2209 -206169.6007 17607.4610 0.0000 0.0000 34219.0420 -149427.3253 298.8434 -183646.3673 -149326.9072 298.0574 -141.0287 -111.2902 556383.8535 9.0335 8.9445 PRESSURE: 4506000 -47.1196 -94.2949 140.79 -94.296 -230.041 -122.004 140.791 -122.006 39.2838 GPRESSURE: 4506000 13.6195 -99.2571 129.074 -44.2313 -193.757 -91.0408 184.402 -193.288 40.465 PRESSAVG: 4506000 19.242 1.03224 18.1712 1.03221 0.379576 27.1258 18.1713 27.1257 -19.4792 GPRESSAVG: 4506000 20.7586 0.196634 20.1967 1.49456 0.0892467 26.9016 16.6023 26.4547 -20.9827 TIMING: 4506000 CPU: 13541.5, 0.00303787/step Wall: 13541.5, 0.00303787/step, 0.416864 hours remaining, 208.558594 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: 4506000 791.1048 2025.7027 1929.5692 115.2695 -206396.6269 17925.9887 0.0000 0.0000 34247.6322 -149361.3597 299.0931 -183608.9920 -149263.8111 299.2327 -79.2923 -46.5576 556834.8214 0.0475 -0.0450 PRESSURE: 4506200 72.9315 20.5788 26.5803 20.5772 -200.925 189.647 26.5795 189.646 -46.5249 GPRESSURE: 4506200 49.9639 -0.158428 -48.6566 -19.0335 -124.379 97.5364 19.6216 253.252 0.416007 PRESSAVG: 4506200 26.0571 -1.37365 -2.72749 -1.3737 -50.7563 -21.3305 -2.7275 -21.3306 -25.7311 GPRESSAVG: 4506200 23.9822 -1.05747 -3.88989 -1.44407 -50.5885 -19.2992 -0.440611 -21.3583 -24.3981 TIMING: 4506200 CPU: 13542.1, 0.00303638/step Wall: 13542.1, 0.00303638/step, 0.41649 hours remaining, 208.558594 MB of memory in use. ENERGY: 4506200 754.3275 2060.2743 1924.9145 115.9110 -206016.8841 17704.8169 0.0000 0.0000 33988.4235 -149468.2164 296.8294 -183456.6399 -149366.4240 299.0239 -58.1729 -24.6664 556587.5429 -16.8101 -17.0015 PRESSURE: 4506400 -12.5455 -63.2496 30.2516 -63.2485 -68.7616 -167.815 30.251 -167.815 12.8672 GPRESSURE: 4506400 27.2091 -57.4294 -37.1838 -46.0124 -16.4676 -98.4011 60.6696 -189.627 26.8394 PRESSAVG: 4506400 -10.7502 26.4717 30.7623 26.4717 25.7812 -1.12043 30.7622 -1.12034 -41.4063 GPRESSAVG: 4506400 -8.62443 29.0823 33.3595 26.5874 25.6401 -2.56851 30.8436 -0.0886032 -43.6497 TIMING: 4506400 CPU: 13542.7, 0.00306375/step Wall: 13542.7, 0.00306375/step, 0.420074 hours remaining, 208.558594 MB of memory in use. ENERGY: 4506400 755.9925 2089.6833 1919.0634 120.3462 -206278.0522 17810.6292 0.0000 0.0000 34110.2008 -149472.1367 297.8929 -183582.3375 -149378.3688 298.5187 -22.8133 12.5270 557675.1541 -8.7918 -8.8780 PRESSURE: 4506600 9.32472 114.048 36.2099 114.049 255.613 -2.35669 36.2092 -2.35589 110.454 GPRESSURE: 4506600 33.1143 122.258 50.946 122.752 288.391 -86.6366 120.837 100.963 142.844 PRESSAVG: 4506600 27.5233 2.15779 46.1172 2.15778 -2.4953 23.5717 46.1172 23.5717 4.63295 GPRESSAVG: 4506600 26.9987 1.36319 44.334 -2.28138 -2.78623 23.9939 44.6019 21.1203 5.27451 TIMING: 4506600 CPU: 13543.4, 0.00305519/step Wall: 13543.4, 0.00305519/step, 0.418731 hours remaining, 208.558594 MB of memory in use. ENERGY: 4506600 735.1545 2075.3545 1962.8062 126.9577 -206640.0454 18110.5630 0.0000 0.0000 34275.0382 -149354.1712 299.3324 -183629.2095 -149254.7565 299.1179 125.1308 154.7834 557382.5619 9.8870 9.8290 PRESSURE: 4506800 17.4057 47.1379 -11.7623 47.1377 234.092 -8.39052 -11.7615 -8.39117 100.239 GPRESSURE: 4506800 51.1152 11.2546 -30.1311 147.005 228.13 34.2515 -31.0848 40.0887 173.745 PRESSAVG: 4506800 -108.321 -22.1495 11.9398 -22.1495 94.2313 -42.6156 11.9397 -42.6156 16.5847 GPRESSAVG: 4506800 -109.178 -24.5109 12.3069 -16.1909 93.7648 -42.0974 13.1792 -41.4636 17.3122 TIMING: 4506800 CPU: 13544, 0.00302305/step Wall: 13544, 0.00302305/step, 0.414159 hours remaining, 208.558594 MB of memory in use. ENERGY: 4506800 742.7929 2111.6042 1903.9188 120.0970 -206707.9137 18180.0831 0.0000 0.0000 34283.6259 -149365.7916 299.4074 -183649.4175 -149258.4949 299.4078 117.2455 150.9966 558336.0908 0.8318 0.6328 PRESSURE: 4507000 -69.5076 13.5594 98.6547 13.559 -33.6913 40.0022 98.6542 40.0025 31.6157 GPRESSURE: 4507000 -34.069 21.5476 98.3848 0.884774 25.0563 47.3689 66.1707 31.2947 31.626 PRESSAVG: 4507000 -8.22025 19.2693 7.54727 19.2694 -10.1499 -44.8807 7.5472 -44.8807 58.0724 GPRESSAVG: 4507000 -8.89067 21.8576 10.4618 17.6662 -8.82732 -45.7316 4.81722 -46.0589 57.9339 TIMING: 4507000 CPU: 13544.6, 0.00303782/step Wall: 13544.6, 0.00303782/step, 0.416012 hours remaining, 208.558594 MB of memory in use. ENERGY: 4507000 779.2779 2109.4764 1922.2674 125.9374 -206465.5425 17923.4081 0.0000 0.0000 34350.3466 -149254.8287 299.9901 -183605.1753 -149154.0958 299.3153 -23.8610 7.5377 558147.4948 13.2341 13.4053 PRESSURE: 4507200 -356.006 -2.81231 31.1134 -2.8111 -374.691 -30.5832 31.1137 -30.5834 -247.268 GPRESSURE: 4507200 -244.48 19.9634 36.0785 49.894 -368.655 24.5214 -42.2814 -8.41005 -248.753 PRESSAVG: 4507200 28.3105 -25.8423 26.9085 -25.8423 5.38907 -11.6065 26.9086 -11.6066 -14.058 GPRESSAVG: 4507200 28.8232 -26.5692 23.6032 -25.8647 4.95329 -12.1041 27.924 -8.85521 -14.304 TIMING: 4507200 CPU: 13545.2, 0.00302206/step Wall: 13545.2, 0.00302206/step, 0.413687 hours remaining, 208.558594 MB of memory in use. ENERGY: 4507200 745.9941 2103.3484 1932.2043 128.0406 -205734.0415 17392.3076 0.0000 0.0000 34047.0802 -149385.0663 297.3416 -183432.1464 -149290.8768 298.7631 -325.9881 -287.2959 558211.9616 6.5472 6.4908 PRESSURE: 4507400 217.694 -137.881 -78.5626 -137.881 -50.0103 237.993 -78.5626 237.995 165.24 GPRESSURE: 4507400 244.603 -150.892 -125.016 -127.077 -1.20682 191.574 -17.7209 293.753 209.795 PRESSAVG: 4507400 -43.8736 -40.918 17.9425 -40.918 -51.5336 10.1607 17.9426 10.1607 46.4118 GPRESSAVG: 4507400 -43.2538 -38.8601 20.2461 -42.6719 -51.9976 9.04203 18.1697 10.3016 45.8537 TIMING: 4507400 CPU: 13545.8, 0.00303772/step Wall: 13545.8, 0.00303772/step, 0.415661 hours remaining, 208.558594 MB of memory in use. ENERGY: 4507400 755.6069 2097.9664 1949.0987 123.8890 -206497.4351 18038.9249 0.0000 0.0000 34123.1175 -149408.8317 298.0057 -183531.9492 -149313.8710 298.3218 110.9743 151.0638 556230.7995 -16.3318 -16.4659 PRESSURE: 4507600 -139.678 -106.496 96.8522 -106.497 -296.067 161.473 96.8514 161.471 87.2655 GPRESSURE: 4507600 -77.3514 -146.723 -1.72037 -56.1095 -265.529 175.949 133.525 123.496 96.2794 PRESSAVG: 4507600 -20.9237 -25.985 7.71857 -25.9849 32.9833 -46.5985 7.71863 -46.5985 45.1859 GPRESSAVG: 4507600 -21.8007 -27.9928 5.27501 -25.0457 33.4859 -44.2403 9.87129 -48.7017 46.1337 TIMING: 4507600 CPU: 13546.4, 0.00304163/step Wall: 13546.4, 0.00304163/step, 0.416028 hours remaining, 208.558594 MB of memory in use. ENERGY: 4507600 718.1771 2144.4366 1962.7674 113.9162 -206094.7988 17622.3940 0.0000 0.0000 34291.3707 -149241.7368 299.4751 -183533.1075 -149145.9491 299.5992 -116.1600 -82.2002 556231.5051 19.0818 19.2730 PRESSURE: 4507800 59.4651 11.0457 -315.26 11.0467 150.678 -51.1529 -315.26 -51.1513 8.33708 GPRESSURE: 4507800 70.5821 44.7547 -198.215 -14.4831 200.919 -46.5875 -360.954 -59.3469 52.8438 PRESSAVG: 4507800 -30.0544 21.7593 -29.3799 21.7593 -1.10449 -55.7461 -29.38 -55.7461 56.7449 GPRESSAVG: 4507800 -30.099 20.2594 -30.5559 22.2286 -1.04069 -58.0345 -28.6513 -54.5092 56.3763 TIMING: 4507800 CPU: 13547, 0.00301411/step Wall: 13547, 0.00301411/step, 0.412095 hours remaining, 208.558594 MB of memory in use. ENERGY: 4507800 759.7411 2131.8364 1954.7424 120.9908 -206222.2992 17938.1060 0.0000 0.0000 34082.3168 -149234.5656 297.6493 -183316.8824 -149140.0601 298.9652 72.8267 108.1149 557891.7179 8.5287 8.4122 PRESSURE: 4508000 174.087 -15.0138 24.9733 -15.0138 404.153 -39.7703 24.9737 -39.7689 2.14977 GPRESSURE: 4508000 257.336 51.1048 -20.8183 -79.564 434.574 -53.5206 56.744 29.5845 -7.22402 PRESSAVG: 4508000 39.6142 11.3659 25.6755 11.3659 -31.4914 -7.24592 25.6755 -7.24593 9.00378 GPRESSAVG: 4508000 40.4445 11.8187 27.9565 10.7628 -30.787 -7.2546 23.3588 -6.17852 7.94643 TIMING: 4508000 CPU: 13547.6, 0.00305627/step Wall: 13547.6, 0.00305627/step, 0.41769 hours remaining, 208.558594 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: 4508000 735.4806 2083.6652 1931.8559 114.2540 -206721.8361 18144.3963 0.0000 0.0000 34544.3303 -149167.8537 301.6842 -183712.1841 -149072.0454 299.5005 193.4633 228.2290 557723.4924 5.7088 5.8680 PRESSURE: 4508200 259.629 -12.5758 -283.148 -12.5744 -98.7478 -13.4983 -283.15 -13.4974 88.3245 GPRESSURE: 4508200 270.195 20.7639 -230.952 -44.7284 -77.4622 2.23769 -216.271 -73.5272 156.637 PRESSAVG: 4508200 -8.84722 4.91576 -28.6342 4.91574 21.8469 53.8823 -28.6342 53.8823 -4.61464 GPRESSAVG: 4508200 -9.1989 6.50807 -30.3107 5.42094 21.7906 54.6306 -26.3984 53.4757 -4.2164 TIMING: 4508200 CPU: 13548.2, 0.00305442/step Wall: 13548.2, 0.00305442/step, 0.417268 hours remaining, 208.558594 MB of memory in use. ENERGY: 4508200 741.5811 2067.6641 1935.1286 118.8372 -206251.5133 17993.2774 0.0000 0.0000 34048.3765 -149346.6483 297.3529 -183395.0248 -149245.9467 299.5418 83.0686 116.4563 558243.5229 2.7950 2.7918 LDB: ============= START OF LOAD BALANCING ============== 13551.7 LDB: ============== END OF LOAD BALANCING =============== 13551.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13551.7 LDB: ============= START OF LOAD BALANCING ============== 13552 LDB: Largest compute 4820 load 0.025541 is 21.6% of average load 0.118061 LDB: Average compute 0.001734 is 1.5% of average load 0.118061 LDB: TIME 13552 LOAD: AVG 0.118061 MAX 0.21357 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.648 MB LDB: TIME 13552 LOAD: AVG 0.118061 MAX 0.21357 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.648 MB LDB: TIME 13552 LOAD: AVG 0.118061 MAX 0.21357 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.648 MB LDB: ============== END OF LOAD BALANCING =============== 13552 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13552 PRESSURE: 4508400 -114.577 -130.232 119.569 -130.232 161.722 11.0292 119.571 11.0295 85.0665 GPRESSURE: 4508400 -76.0414 -154.798 123.764 -131.093 123.009 71.2966 161.136 -74.2336 184.755 PRESSAVG: 4508400 -15.8515 8.44197 7.48012 8.44202 -1.16799 -5.97003 7.48014 -5.97005 26.285 GPRESSAVG: 4508400 -15.9333 7.70677 8.27866 8.25871 -1.2603 -5.85573 5.21207 -7.91824 26.5982 TIMING: 4508400 CPU: 13548.8, 0.00308658/step Wall: 13548.8, 0.00308658/step, 0.421489 hours remaining, 210.667969 MB of memory in use. ENERGY: 4508400 750.9052 2071.2053 1952.3688 117.3129 -206549.2814 17939.9911 0.0000 0.0000 34231.7729 -149485.7253 298.9546 -183717.4982 -149396.8657 298.6110 44.0707 77.2409 557661.3538 3.0885 3.1349 PRESSURE: 4508600 11.8645 88.5823 -54.3089 88.5809 72.6884 -241.827 -54.3094 -241.828 -111.304 GPRESSURE: 4508600 32.927 85.2829 -36.5076 43.8109 114.853 -285.79 -81.6846 -225.371 -78.9984 PRESSAVG: 4508600 40.6565 15.5395 -0.844108 15.5395 -0.868361 26.001 -0.844094 26.0009 -12.951 GPRESSAVG: 4508600 41.8873 17.052 -1.02737 13.723 -1.79857 27.1101 -1.25227 26.3728 -13.4772 TIMING: 4508600 CPU: 13549.4, 0.00299159/step Wall: 13549.4, 0.00299159/step, 0.408353 hours remaining, 210.738281 MB of memory in use. ENERGY: 4508600 750.6970 2140.5538 1942.4207 125.5405 -206403.0128 17819.9178 0.0000 0.0000 34081.2733 -149542.6098 297.6402 -183623.8831 -149448.6411 298.9847 -8.9170 22.9271 557282.9651 8.9457 8.8705 PRESSURE: 4508800 -160.353 -193.598 23.6627 -193.598 -8.83015 -50.8454 23.6621 -50.8457 -172.783 GPRESSURE: 4508800 -103.114 -194.254 22.042 -147.067 -12.6111 -32.1076 13.5041 -49.9764 -121.628 PRESSAVG: 4508800 52.6432 -33.2073 21.7679 -33.2073 56.4881 -13.0081 21.7679 -13.0081 -82.7399 GPRESSAVG: 4508800 52.5706 -34.5831 22.7416 -31.6389 57.1817 -15.3768 22.2384 -11.8946 -82.7805 TIMING: 4508800 CPU: 13550, 0.00299914/step Wall: 13550, 0.00299914/step, 0.409215 hours remaining, 210.738281 MB of memory in use. ENERGY: 4508800 757.5194 2082.8279 1948.5149 121.4645 -206343.8835 17818.2723 0.0000 0.0000 34129.1523 -149486.1323 298.0584 -183615.2846 -149388.0076 298.0933 -113.9888 -79.1178 558349.8554 8.7971 8.9906 PRESSURE: 4509000 -101.951 -244.881 -44.5825 -244.881 103.283 -155.89 -44.5824 -155.891 -148.309 GPRESSURE: 4509000 -35.082 -158.052 -66.9671 -190.341 83.8845 -53.2343 -47.3037 -237.693 -91.7928 PRESSAVG: 4509000 -25.525 -1.35567 -1.36957 -1.35579 58.0455 8.43851 -1.36943 8.43864 -14.7595 GPRESSAVG: 4509000 -25.8179 -1.17573 -1.00249 -0.368522 59.5298 9.34733 -1.78164 7.58828 -15.2675 TIMING: 4509000 CPU: 13550.6, 0.00302223/step Wall: 13550.6, 0.00302223/step, 0.412198 hours remaining, 210.738281 MB of memory in use. ENERGY: 4509000 769.7899 2112.2774 1933.4151 101.5403 -206285.9166 17730.0397 0.0000 0.0000 34137.0847 -149501.7696 298.1277 -183638.8542 -149407.0232 298.1474 -48.9925 -14.3301 557175.7312 5.9203 6.1481 PRESSURE: 4509200 64.6749 194.878 107.132 194.879 -4.06652 15.6337 107.133 15.6331 31.2498 GPRESSURE: 4509200 40.5715 127.992 84.5165 204.156 40.0205 119.586 131.381 -48.1599 102.681 PRESSAVG: 4509200 -48.5244 -16.4051 23.4597 -16.4051 22.2795 41.7952 23.4598 41.7952 26.212 GPRESSAVG: 4509200 -47.6935 -17.4946 22.6226 -16.7637 21.3766 41.3882 23.708 42.1662 26.5719 TIMING: 4509200 CPU: 13551.2, 0.00302695/step Wall: 13551.2, 0.00302695/step, 0.412674 hours remaining, 210.738281 MB of memory in use. ENERGY: 4509200 749.2462 2092.0713 1941.6125 116.4072 -206491.5723 17867.4750 0.0000 0.0000 34158.6280 -149566.1321 298.3158 -183724.7601 -149471.9062 298.7333 30.6194 61.0910 557710.5033 -0.0109 0.0850 PRESSURE: 4509400 2.12464 -171.29 72.437 -171.29 -32.7806 152.327 72.4367 152.325 16.3976 GPRESSURE: 4509400 60.029 -215.003 44.0726 -196.199 -4.98174 216.937 73.2883 156.025 25.743 PRESSAVG: 4509400 -15.7626 4.35222 32.1449 4.35227 57.0379 -25.9363 32.145 -25.9365 -29.5413 GPRESSAVG: 4509400 -17.1354 7.05406 31.7635 3.00688 58.2927 -26.6736 31.9752 -26.1189 -29.7378 TIMING: 4509400 CPU: 13551.8, 0.00301935/step Wall: 13551.8, 0.00301935/step, 0.41147 hours remaining, 210.738281 MB of memory in use. ENERGY: 4509400 755.0762 2101.5497 1958.7183 111.2435 -206472.5164 17930.4072 0.0000 0.0000 34169.7098 -149445.8116 298.4126 -183615.5214 -149351.8106 297.8685 -4.7528 26.9301 558131.9224 3.9114 3.8065 PRESSURE: 4509600 -192.207 14.0221 -0.515675 14.0229 66.5671 -151.585 -0.515429 -151.584 -19.0416 GPRESSURE: 4509600 -144.861 95.3583 -22.5718 15.7028 59.7268 -147.818 80.5265 -138.773 50.551 PRESSAVG: 4509600 -21.4555 -5.42671 82.2088 -5.42668 45.9587 -22.735 82.2088 -22.735 -18.6674 GPRESSAVG: 4509600 -21.8454 -6.02313 81.97 -4.0022 45.352 -20.9146 81.9397 -21.0993 -17.414 TIMING: 4509600 CPU: 13552.4, 0.00301931/step Wall: 13552.4, 0.00301931/step, 0.411297 hours remaining, 210.738281 MB of memory in use. ENERGY: 4509600 726.7948 2129.7730 1928.5237 104.0543 -206232.0570 17799.1255 0.0000 0.0000 34048.3758 -149495.4099 297.3529 -183543.7857 -149405.0791 298.1365 -48.2272 -11.5276 557895.7210 1.9453 2.0309 PRESSURE: 4509800 -42.9793 48.6847 128.429 48.6849 41.494 1.75202 128.43 1.75283 160.093 GPRESSURE: 4509800 13.4755 59.5356 126.407 20.9904 68.2553 -29.4319 203.47 -27.6551 177.477 PRESSAVG: 4509800 -38.8053 34.7771 51.6031 34.7771 72.7029 -7.73232 51.6031 -7.73224 -26.9405 GPRESSAVG: 4509800 -38.2609 34.9433 53.1526 33.6657 72.5433 -7.57061 50.2385 -8.5053 -27.2425 TIMING: 4509800 CPU: 13553.1, 0.00300843/step Wall: 13553.1, 0.00300843/step, 0.409648 hours remaining, 210.738281 MB of memory in use. ENERGY: 4509800 721.9425 2105.4719 1922.9697 93.4783 -206584.9181 17965.5249 0.0000 0.0000 34316.8060 -149458.7248 299.6972 -183775.5308 -149355.9386 298.9573 52.8692 86.4026 558469.0715 2.3190 2.3466 PRESSURE: 4510000 -114.358 37.2335 4.75917 37.2331 -48.4872 73.0104 4.75878 73.0118 -246.822 GPRESSURE: 4510000 -99.2254 41.5941 2.4653 -9.34664 -22.4677 -18.9124 -31.3487 99.8561 -191.554 PRESSAVG: 4510000 55.071 8.94942 -18.8768 8.9495 -34.261 24.1247 -18.8767 24.1247 16.3404 GPRESSAVG: 4510000 55.2672 8.91503 -19.8532 8.90195 -34.2337 21.3511 -16.2267 26.1061 16.0919 TIMING: 4510000 CPU: 13553.7, 0.00302889/step Wall: 13553.7, 0.00302889/step, 0.412266 hours remaining, 210.738281 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: 4510000 725.0902 2084.4090 1958.6027 116.4568 -205921.9805 17672.2884 0.0000 0.0000 34019.2957 -149345.8377 297.0990 -183365.1334 -149239.7724 298.7968 -136.5556 -104.4158 558290.7025 12.3835 12.3751 PRESSURE: 4510200 -131.289 -172.034 18.3712 -172.034 -215.983 -81.2067 18.3703 -81.2069 167.716 GPRESSURE: 4510200 -54.7876 -218.758 -46.6358 -59.5804 -226.497 -105.039 93.6565 -49.5751 200.555 PRESSAVG: 4510200 -33.5632 -72.3754 -33.2124 -72.3754 -32.8449 -31.0096 -33.2124 -31.0094 42.2621 GPRESSAVG: 4510200 -33.5198 -72.4086 -35.4409 -72.7416 -33.0228 -28.3236 -32.9776 -34.5913 42.2012 TIMING: 4510200 CPU: 13554.3, 0.00304469/step Wall: 13554.3, 0.00304469/step, 0.414247 hours remaining, 210.738281 MB of memory in use. ENERGY: 4510200 730.0619 2077.1893 1934.0545 123.1064 -205926.4614 17850.6305 0.0000 0.0000 34028.9593 -149182.4594 297.1834 -183211.4188 -149092.8205 298.6650 -59.8522 -26.9100 559014.0109 -8.0487 -8.1138 PRESSURE: 4510400 -209.994 -76.6069 -40.3491 -76.6055 111.129 30.3021 -40.3499 30.3028 164.279 GPRESSURE: 4510400 -162.692 -113.466 -22.582 -107.49 165.734 46.3176 -71.9251 19.5505 160.369 PRESSAVG: 4510400 -17.8168 4.80316 -14.3211 4.80318 -108.326 5.8154 -14.3211 5.81548 102.557 GPRESSAVG: 4510400 -18.1303 4.5471 -12.039 7.82516 -107.035 6.51965 -16.3864 7.14354 101.751 TIMING: 4510400 CPU: 13554.9, 0.00304851/step Wall: 13554.9, 0.00304851/step, 0.414598 hours remaining, 210.738281 MB of memory in use. ENERGY: 4510400 748.0746 2087.9939 1952.3136 112.9439 -205980.2256 17642.4995 0.0000 0.0000 34186.5746 -149249.8256 298.5599 -183436.4001 -149155.0013 298.9790 21.8048 54.4705 557709.8084 -7.8622 -7.8046 PRESSURE: 4510600 -130.434 -155.565 36.2306 -155.565 115.337 -64.2518 36.2293 -64.2539 46.8388 GPRESSURE: 4510600 -66.854 -106.808 11.389 -182.78 102.696 9.24299 24.6432 -71.0813 87.27 PRESSAVG: 4510600 -22.0221 -21.644 11.8478 -21.644 7.24329 8.14257 11.8478 8.14255 81.4257 GPRESSAVG: 4510600 -21.1969 -21.5469 11.2061 -24.0313 6.3878 7.16414 10.8612 6.40661 81.4747 TIMING: 4510600 CPU: 13555.5, 0.00304092/step Wall: 13555.5, 0.00304092/step, 0.413396 hours remaining, 210.738281 MB of memory in use. ENERGY: 4510600 728.0795 2150.0960 1937.0083 121.1780 -206119.6358 17526.3027 0.0000 0.0000 34339.9309 -149317.0403 299.8992 -183656.9712 -149224.7876 299.1141 10.5805 41.0372 556069.0864 22.2156 22.2219 PRESSURE: 4510800 198.573 -49.4012 157.131 -49.4007 147.338 95.0361 157.13 95.0359 128.574 GPRESSURE: 4510800 244.996 -42.0735 145.621 -73.5008 173.994 101.343 126.13 106.039 154.828 PRESSAVG: 4510800 28.6163 5.19484 0.399542 5.1947 -41.9391 25.4043 0.399659 25.4043 6.30869 GPRESSAVG: 4510800 28.6062 4.21022 3.1567 5.65217 -42.7858 25.7437 0.434199 27.9165 6.79682 TIMING: 4510800 CPU: 13556.1, 0.00303376/step Wall: 13556.1, 0.00303376/step, 0.412255 hours remaining, 210.738281 MB of memory in use. ENERGY: 4510800 719.7806 2114.9841 1922.5408 106.5946 -206590.2378 18076.4923 0.0000 0.0000 34393.8878 -149255.9577 300.3704 -183649.8455 -149157.2468 299.9513 158.1616 191.2726 556298.5335 -2.3380 -2.4609 PRESSURE: 4511000 28.5095 17.0443 102.481 17.044 -233.898 0.314473 102.48 0.314762 146.46 GPRESSURE: 4511000 39.3853 10.6805 114.641 -10.5313 -190.906 34.0026 117.617 -75.8604 189.741 PRESSAVG: 4511000 -18.7242 -16.8404 46.4031 -16.8404 7.14774 7.78663 46.4031 7.78678 19.4318 GPRESSAVG: 4511000 -20.2918 -15.6394 43.7292 -17.6684 8.12473 7.35072 46.2448 5.79928 20.3823 TIMING: 4511000 CPU: 13556.7, 0.00305012/step Wall: 13556.7, 0.00305012/step, 0.414309 hours remaining, 210.738281 MB of memory in use. ENERGY: 4511000 712.1386 2090.6141 1933.7546 110.1229 -206051.3160 17732.6252 0.0000 0.0000 34321.9369 -149150.1236 299.7420 -183472.0606 -149053.1146 299.5533 -19.6431 12.7403 557963.0072 2.6185 2.7384 PRESSURE: 4511200 -154.988 40.6066 -114.388 40.6063 -263.274 -60.7688 -114.388 -60.7678 60.2577 GPRESSURE: 4511200 -132.741 -18.6884 -113.525 14.7037 -179.411 -107.492 -53.2533 -109.565 57.6811 PRESSAVG: 4511200 50.6811 12.6863 51.2034 12.6863 -48.7816 -34.7561 51.2034 -34.756 11.3756 GPRESSAVG: 4511200 51.0129 11.4123 53.328 13.929 -47.7343 -35.4474 52.6163 -34.6928 9.84688 TIMING: 4511200 CPU: 13557.3, 0.00307814/step Wall: 13557.3, 0.00307814/step, 0.417943 hours remaining, 210.738281 MB of memory in use. ENERGY: 4511200 742.9565 2101.6406 1954.8801 118.0851 -205776.7614 17576.3136 0.0000 0.0000 34390.8753 -148892.0102 300.3441 -183282.8855 -148798.4508 299.7304 -119.3350 -84.8234 559482.8750 4.4250 4.3752 PRESSURE: 4511400 196.799 2.40255 -248.434 2.40225 -10.6351 -39.0824 -248.433 -39.084 5.79237 GPRESSURE: 4511400 257.429 16.9358 -265.797 -11.0299 14.1854 -101.642 -223.814 22.0175 7.23687 PRESSAVG: 4511400 -17.2133 -32.0158 -58.9485 -32.0158 -17.0143 -5.14054 -58.9485 -5.14067 10.1424 GPRESSAVG: 4511400 -16.2312 -31.7386 -59.3408 -32.1664 -18.9926 -6.12389 -58.5333 -3.49104 10.7425 TIMING: 4511400 CPU: 13557.9, 0.00306332/step Wall: 13557.9, 0.00306332/step, 0.415761 hours remaining, 210.738281 MB of memory in use. ENERGY: 4511400 735.7875 2082.1819 1951.6116 102.8658 -206204.8842 17797.9317 0.0000 0.0000 34467.9830 -149066.5227 301.0175 -183534.5056 -148977.7445 300.4766 63.9855 92.9503 557965.9354 -8.0284 -8.1604 PRESSURE: 4511600 -119.363 -16.075 55.706 -16.0752 -381.743 -10.3416 55.7057 -10.3422 -67.7939 GPRESSURE: 4511600 -55.7075 7.58677 44.8242 -77.4122 -361.247 16.7634 43.6892 15.0495 -56.0757 PRESSAVG: 4511600 53.2671 -4.36861 -34.502 -4.36871 -0.855717 -11.212 -34.502 -11.2121 -52.3375 GPRESSAVG: 4511600 53.8639 -3.81836 -33.1894 -5.7621 -0.235269 -9.20049 -34.9263 -14.4435 -52.7755 TIMING: 4511600 CPU: 13558.5, 0.00304257/step Wall: 13558.5, 0.00304257/step, 0.412775 hours remaining, 210.738281 MB of memory in use. ENERGY: 4511600 771.7902 2091.4632 1958.9039 109.3945 -205982.9313 17596.7448 0.0000 0.0000 34410.7044 -149043.9302 300.5172 -183454.6346 -148940.9623 300.6390 -189.6331 -157.6766 559047.1635 0.0246 0.2844 PRESSURE: 4511800 134.853 -12.0366 -36.6825 -12.0351 38.188 -61.966 -36.682 -61.9666 15.1262 GPRESSURE: 4511800 198.755 -13.1462 -64.0627 -8.97753 75.0708 -64.6373 -20.4488 -45.4433 14.9525 PRESSAVG: 4511800 28.144 1.36957 20.6311 1.36952 -28.6399 15.2379 20.631 15.2379 -6.59659 GPRESSAVG: 4511800 28.0162 0.39434 19.8028 1.24128 -28.701 15.0735 22.4823 17.2041 -6.76678 TIMING: 4511800 CPU: 13559.1, 0.00305066/step Wall: 13559.1, 0.00305066/step, 0.413704 hours remaining, 210.738281 MB of memory in use. ENERGY: 4511800 743.3734 2082.5242 1917.0884 140.3872 -206061.0381 17930.6540 0.0000 0.0000 34213.4928 -149033.5181 298.7949 -183247.0109 -148931.4363 299.7222 62.7224 96.2596 559093.7098 -2.3642 -2.4839 PRESSURE: 4512000 -298.801 -140.996 -38.6185 -140.996 -20.2413 -27.6824 -38.619 -27.6837 -172.963 GPRESSURE: 4512000 -220.439 -132.571 -51.7514 -170.828 -1.64482 -43.9819 -16.9659 -116.979 -174.814 PRESSAVG: 4512000 21.1437 -8.85398 13.5096 -8.85391 -23.3133 -4.64374 13.5096 -4.64383 17.5468 GPRESSAVG: 4512000 20.8395 -8.06189 13.7464 -8.51722 -22.6954 -5.49242 11.0674 -3.95587 17.1881 TIMING: 4512000 CPU: 13559.8, 0.00304431/step Wall: 13559.8, 0.00304431/step, 0.412673 hours remaining, 210.738281 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: 4512000 753.1530 2066.7677 1926.0785 107.8680 -206000.2084 17645.5069 0.0000 0.0000 34505.2018 -148995.6326 301.3425 -183500.8344 -148894.9319 300.3735 -164.0018 -132.2993 558116.1210 5.1257 5.1108 PRESSURE: 4512200 415.237 -23.7972 36.0883 -23.7972 165.538 -73.391 36.0879 -73.3908 -0.175162 GPRESSURE: 4512200 459.143 37.4454 35.7511 -102.559 189.23 -47.4924 21.7683 -115.993 32.1612 PRESSAVG: 4512200 10.6735 -76.9929 14.4071 -76.9929 9.75039 -14.9802 14.407 -14.9803 -38.6502 GPRESSAVG: 4512200 9.36882 -78.0869 12.093 -75.6967 9.58552 -16.9452 14.4135 -14.1552 -36.8908 TIMING: 4512200 CPU: 13560.4, 0.00304643/step Wall: 13560.4, 0.00304643/step, 0.412792 hours remaining, 210.738281 MB of memory in use. ENERGY: 4512200 754.8935 2085.9854 1956.7667 111.8010 -206123.3440 18092.7049 0.0000 0.0000 34155.3134 -148965.8791 298.2868 -183121.1925 -148868.5646 300.4022 193.5333 226.8447 557397.4675 -6.0754 -5.9788 LDB: ============= START OF LOAD BALANCING ============== 13563.8 LDB: ============== END OF LOAD BALANCING =============== 13563.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13563.8 LDB: ============= START OF LOAD BALANCING ============== 13564.1 LDB: Largest compute 4820 load 0.025623 is 21.7% of average load 0.118116 LDB: Average compute 0.001732 is 1.5% of average load 0.118116 LDB: TIME 13564.1 LOAD: AVG 0.118116 MAX 0.214791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.844 MB LDB: TIME 13564.1 LOAD: AVG 0.118116 MAX 0.214791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.848 MB LDB: TIME 13564.1 LOAD: AVG 0.118116 MAX 0.214791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.848 MB LDB: ============== END OF LOAD BALANCING =============== 13564.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13564.1 PRESSURE: 4512400 -60.9606 5.70222 -94.1671 5.70273 130.032 4.16322 -94.1675 4.16356 167.992 GPRESSURE: 4512400 23.1136 63.132 -156.162 60.4439 105.821 72.7234 -69.7811 -18.909 219.893 PRESSAVG: 4512400 23.6228 -22.2646 -6.76026 -22.2646 45.2363 40.7059 -6.76033 40.7058 -11.6667 GPRESSAVG: 4512400 24.3722 -22.8625 -5.18942 -22.1687 46.7757 41.993 -4.46135 40.5304 -13.3696 TIMING: 4512400 CPU: 13561, 0.00310637/step Wall: 13561, 0.00310637/step, 0.42074 hours remaining, 207.832031 MB of memory in use. ENERGY: 4512400 762.0160 2124.9671 1924.1572 119.6460 -206481.5663 18003.3481 0.0000 0.0000 34647.5088 -148899.9230 302.5853 -183547.4318 -148803.2335 300.0456 79.0208 116.2761 556436.6273 19.0641 19.2594 PRESSURE: 4512600 -327.713 88.6609 158.472 88.6612 -94.9527 51.0151 158.472 51.0151 -187.212 GPRESSURE: 4512600 -285.11 124.008 68.8072 81.3815 -76.4514 -29.6692 150.767 46.1925 -141.576 PRESSAVG: 4512600 12.4003 -31.5614 -32.0681 -31.5615 -19.5488 -60.1802 -32.0681 -60.1802 -7.66202 GPRESSAVG: 4512600 12.052 -31.3182 -32.2166 -34.4764 -20.0466 -57.9704 -33.532 -62.9882 -6.34634 TIMING: 4512600 CPU: 13561.6, 0.00307189/step Wall: 13561.6, 0.00307189/step, 0.4159 hours remaining, 207.832031 MB of memory in use. ENERGY: 4512600 735.7387 2172.4861 1954.2718 109.6464 -205559.8502 17490.9277 0.0000 0.0000 34122.4241 -148974.3553 297.9996 -183096.7794 -148878.0756 300.3147 -203.2925 -167.7123 558467.8087 -4.9368 -4.7803 PRESSURE: 4512800 33.6785 37.2784 -138.347 37.2787 77.5421 58.364 -138.349 58.364 207.164 GPRESSURE: 4512800 81.6882 38.5766 -142.223 36.1825 119.967 37.9564 -115.883 107.09 211.857 PRESSAVG: 4512800 -37.9274 43.3921 -24.3806 43.3921 9.38932 -37.1172 -24.3807 -37.1173 -9.36161 GPRESSAVG: 4512800 -36.7581 43.9025 -25.1081 45.689 8.3016 -39.1354 -22.7817 -36.276 -9.18242 TIMING: 4512800 CPU: 13562.2, 0.00305012/step Wall: 13562.2, 0.00305012/step, 0.412782 hours remaining, 207.832031 MB of memory in use. ENERGY: 4512800 775.5162 2149.6954 1957.8305 108.6324 -206570.7455 18014.1672 0.0000 0.0000 34487.4618 -149077.4420 301.1876 -183564.9038 -148987.3606 300.1780 106.1282 137.8374 555548.8454 -12.6332 -12.5463 PRESSURE: 4513000 -32.8934 -73.8554 11.0308 -73.8552 -87.3484 139.515 11.0298 139.515 184.465 GPRESSURE: 4513000 48.9799 3.82152 -37.0429 -111.809 -43.3378 197.78 18.9266 158.1 184.095 PRESSAVG: 4513000 -38.5576 19.9752 24.4032 19.9752 -3.33856 -11.1483 24.4031 -11.1483 35.3763 GPRESSAVG: 4513000 -38.4415 19.992 23.8462 20.6436 -4.48034 -10.1767 24.8117 -10.4128 36.2363 TIMING: 4513000 CPU: 13562.8, 0.0030402/step Wall: 13562.8, 0.0030402/step, 0.411271 hours remaining, 207.832031 MB of memory in use. ENERGY: 4513000 722.6273 2088.7768 1939.0202 114.8358 -206080.9567 17653.1327 0.0000 0.0000 34410.2878 -149152.2761 300.5136 -183562.5639 -149062.7621 300.0937 21.4078 63.2456 556345.8811 -2.1733 -2.2285 PRESSURE: 4513200 -5.00217 170.734 -9.77188 170.733 -65.0828 44.3573 -9.77086 44.357 -107.944 GPRESSURE: 4513200 -45.433 109.419 -128.03 195.133 -8.02525 11.2954 -43.6436 93.795 -28.9821 PRESSAVG: 4513200 -7.53924 -2.5994 -27.177 -2.59942 -3.72144 11.415 -27.177 11.4151 14.618 GPRESSAVG: 4513200 -7.39062 -3.29526 -24.9969 -2.62234 -1.58285 11.4185 -29.3953 11.829 12.2749 TIMING: 4513200 CPU: 13563.4, 0.00305253/step Wall: 13563.4, 0.00305253/step, 0.412769 hours remaining, 207.832031 MB of memory in use. ENERGY: 4513200 776.6611 2126.8437 1948.1942 117.2922 -205856.3477 17607.9558 0.0000 0.0000 34155.7182 -149123.6825 298.2904 -183279.4007 -149030.8320 299.8892 -59.3429 -27.4801 556031.7038 1.1191 1.1005 PRESSURE: 4513400 -152.301 49.7873 161.626 49.7869 160.038 -5.5483 161.625 -5.54714 80.7463 GPRESSURE: 4513400 -93.9215 83.8678 149.819 92.0754 222.049 -29.8975 142.631 25.0782 51.7148 PRESSAVG: 4513400 22.2464 3.33816 38.5754 3.33806 17.7887 -11.4255 38.5754 -11.4255 -43.1125 GPRESSAVG: 4513400 22.6249 3.48146 37.6488 3.97682 16.9822 -13.9148 40.0295 -9.63993 -42.1416 TIMING: 4513400 CPU: 13564, 0.00303956/step Wall: 13564, 0.00303956/step, 0.410847 hours remaining, 207.832031 MB of memory in use. ENERGY: 4513400 735.8278 2125.4738 1942.5584 124.9955 -206391.9204 17733.1741 0.0000 0.0000 34391.6758 -149338.2151 300.3511 -183729.8908 -149248.6127 299.0279 29.4944 59.9473 556375.3868 -1.0258 -0.8448 PRESSURE: 4513600 -62.353 64.5195 20.277 64.5186 317.779 -154.255 20.2777 -154.256 214.059 GPRESSURE: 4513600 -9.62743 126.696 94.1705 91.5887 345.376 -90.2684 -9.19466 -283.443 242.178 PRESSAVG: 4513600 3.14567 2.75681 18.7509 2.75685 81.8959 -10.3937 18.7509 -10.3938 -74.4118 GPRESSAVG: 4513600 3.25334 2.67355 19.5865 1.46158 82.0562 -8.72906 17.9049 -13.3899 -74.036 TIMING: 4513600 CPU: 13564.6, 0.00303304/step Wall: 13564.6, 0.00303304/step, 0.409797 hours remaining, 207.832031 MB of memory in use. ENERGY: 4513600 730.1472 2003.4891 1955.0804 112.9385 -206290.7577 17884.0967 0.0000 0.0000 34315.3650 -149289.6407 299.6846 -183605.0057 -149199.7871 298.8477 156.4950 192.6420 555387.3227 3.5432 3.7579 PRESSURE: 4513800 236.855 15.7718 -194.875 15.7731 -47.604 -220.114 -194.875 -220.114 -28.5236 GPRESSURE: 4513800 237.561 -47.1551 -141.256 20.7333 -36.614 -282.767 -223.823 -168.136 37.4256 PRESSAVG: 4513800 -31.0368 46.2988 -42.0318 46.2989 38.2093 -44.945 -42.0317 -44.9449 -9.73442 GPRESSAVG: 4513800 -30.0712 47.0756 -42.3889 47.1247 38.7178 -44.0036 -41.9421 -45.5919 -11.1056 TIMING: 4513800 CPU: 13565.3, 0.00303911/step Wall: 13565.3, 0.00303911/step, 0.410449 hours remaining, 207.933594 MB of memory in use. ENERGY: 4513800 728.5631 2078.1435 1943.5319 110.3378 -206311.2177 17921.8054 0.0000 0.0000 34034.6537 -149494.1822 297.2331 -183528.8359 -149402.7637 299.6911 53.5759 79.4575 556873.9377 -0.8540 -0.8197 PRESSURE: 4514000 208.211 -4.62944 -31.244 -4.63028 -78.5651 -132.598 -31.244 -132.598 -220.896 GPRESSURE: 4514000 199.354 -109.226 -2.27963 20.5218 -49.3886 -81.3745 -157.359 -116.11 -146.781 PRESSAVG: 4514000 12.0568 -2.09912 -67.3251 -2.0992 10.0279 24.0643 -67.3252 24.0643 -1.62162 GPRESSAVG: 4514000 11.1178 -1.09227 -67.4325 -2.8131 9.93652 25.827 -67.6182 25.638 -0.752623 TIMING: 4514000 CPU: 13565.9, 0.0030293/step Wall: 13565.9, 0.0030293/step, 0.408955 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: 4514000 730.8198 2126.3005 1936.1856 105.5406 -206260.7774 17763.7589 0.0000 0.0000 34113.1871 -149484.9849 297.9189 -183598.1720 -149387.6695 298.5696 -30.4165 1.0615 557840.9795 6.8210 6.7672 PRESSURE: 4514200 -70.9458 38.8024 -12.5756 38.8031 -21.5823 -140.21 -12.5752 -140.21 11.5071 GPRESSURE: 4514200 -15.6963 75.2722 -42.73 -6.81289 -37.3314 -168.546 -25.1322 -117.106 65.7765 PRESSAVG: 4514200 -59.7404 51.1307 -64.8489 51.1307 61.4377 35.6596 -64.8489 35.6598 34.871 GPRESSAVG: 4514200 -59.5752 50.5364 -65.3392 48.4812 60.4534 34.3451 -64.4934 35.0892 35.43 TIMING: 4514200 CPU: 13566.5, 0.00300809/step Wall: 13566.5, 0.00300809/step, 0.405924 hours remaining, 207.933594 MB of memory in use. ENERGY: 4514200 763.6173 2095.8973 1934.6494 123.7034 -206596.4495 17885.5140 0.0000 0.0000 34317.8479 -149475.2202 299.7063 -183793.0681 -149374.0785 298.5766 -27.0070 4.2496 557567.6763 12.1894 12.1028 PRESSURE: 4514400 -225.65 -119.352 -55.5422 -119.353 246.556 -24.7706 -55.5419 -24.7694 -303.511 GPRESSURE: 4514400 -150.512 -129.157 -112.743 -143.444 247.602 -135.977 -3.27009 89.4039 -278.77 PRESSAVG: 4514400 29.5306 -19.5059 -70.7523 -19.5059 24.882 -9.05588 -70.7522 -9.05586 -96.5929 GPRESSAVG: 4514400 28.6232 -19.2288 -69.3714 -17.3206 24.9654 -11.4589 -72.2566 -7.2763 -96.0127 TIMING: 4514400 CPU: 13567.1, 0.00302866/step Wall: 13567.1, 0.00302866/step, 0.408532 hours remaining, 207.933594 MB of memory in use. ENERGY: 4514400 749.8852 2105.4266 1940.3100 91.5788 -206252.4758 17734.8872 0.0000 0.0000 34017.8194 -149612.5686 297.0861 -183630.3880 -149522.9159 298.4213 -94.2018 -60.5598 558434.0319 -14.0601 -14.1414 PRESSURE: 4514600 59.2812 -2.49421 99.4181 -2.49519 -251.166 48.1947 99.418 48.1966 -318.063 GPRESSURE: 4514600 86.4052 -26.7649 45.9544 24.2234 -244.569 23.616 85.8941 21.1342 -270.961 PRESSAVG: 4514600 43.1708 42.6159 3.27789 42.616 37.6199 15.4094 3.27777 15.4095 -58.4781 GPRESSAVG: 4514600 42.6601 39.5859 2.80694 44.4922 37.4459 15.5594 3.99065 15.8936 -57.9817 TIMING: 4514600 CPU: 13567.7, 0.00303703/step Wall: 13567.7, 0.00303703/step, 0.409493 hours remaining, 207.933594 MB of memory in use. ENERGY: 4514600 759.2244 2099.5677 1955.7820 99.3088 -206422.8364 17669.4570 0.0000 0.0000 34141.3634 -149698.1330 298.1650 -183839.4964 -149612.5369 298.1037 -169.9828 -143.0415 557362.0022 7.4375 7.3748 PRESSURE: 4514800 158.597 155.573 7.05285 155.574 137.128 -57.9279 7.05249 -57.9278 -150.195 GPRESSURE: 4514800 210.901 133.293 36.6693 221.227 172.667 -103.939 104.817 2.01368 -136.979 PRESSAVG: 4514800 -17.5153 45.9787 52.9532 45.9786 22.9273 32.3984 52.9533 32.3985 -41.434 GPRESSAVG: 4514800 -14.8847 49.0392 54.1619 44.2347 21.8971 33.51 54.7044 31.069 -42.636 TIMING: 4514800 CPU: 13568.3, 0.00303631/step Wall: 13568.3, 0.00303631/step, 0.409227 hours remaining, 207.933594 MB of memory in use. ENERGY: 4514800 716.5469 2057.8613 1964.2257 118.3589 -206709.6129 18026.2475 0.0000 0.0000 34134.3863 -149691.9864 298.1041 -183826.3727 -149592.8299 297.5869 48.5101 82.1961 555824.7358 -12.0073 -11.8745 PRESSURE: 4515000 -180.963 119.254 -66.8674 119.255 -116.627 39.0329 -66.867 39.032 -140.999 GPRESSURE: 4515000 -159.23 58.6443 -100.576 170.385 -62.8547 34.4212 15.9997 4.55104 -122.064 PRESSAVG: 4515000 16.5559 13.5318 -55.7014 13.5317 18.0728 6.0281 -55.7013 6.02812 -49.1231 GPRESSAVG: 4515000 14.142 11.5573 -54.0327 14.3431 20.7024 8.02489 -58.266 4.5066 -49.0433 TIMING: 4515000 CPU: 13568.9, 0.00304004/step Wall: 13568.9, 0.00304004/step, 0.40956 hours remaining, 207.933594 MB of memory in use. ENERGY: 4515000 751.6534 2074.5716 1944.0761 107.5757 -206376.2534 17622.0131 0.0000 0.0000 34221.4383 -149654.9251 298.8643 -183876.3634 -149550.5972 298.3417 -146.1963 -114.7165 556538.2750 -4.8315 -4.7330 PRESSURE: 4515200 -174.045 -136.089 16.2798 -136.089 74.9871 -66.1016 16.2803 -66.1 -3.30067 GPRESSURE: 4515200 -199.933 -100.409 85.2217 -137.044 176.204 -13.7794 -96.6674 -33.1703 22.1386 PRESSAVG: 4515200 -80.6207 19.2384 35.8613 19.2385 59.7092 63.323 35.8613 63.323 22.8691 GPRESSAVG: 4515200 -79.304 22.0885 34.0409 18.6416 58.2468 61.0669 37.2001 65.1191 23.4647 TIMING: 4515200 CPU: 13569.5, 0.00304837/step Wall: 13569.5, 0.00304837/step, 0.410514 hours remaining, 207.933594 MB of memory in use. ENERGY: 4515200 780.4731 2068.0043 1958.5880 114.4875 -206708.5807 17786.4761 0.0000 0.0000 34437.5427 -149563.0090 300.7516 -184000.5517 -149467.2595 298.0318 -34.1196 -0.5299 554603.7110 0.6525 0.8025 PRESSURE: 4515400 148.122 -120.518 59.95 -120.519 -215.205 -3.2367 59.9505 -3.23646 -45.8739 GPRESSURE: 4515400 209.453 -138.493 40.457 -76.4916 -215.579 -25.2856 102.908 -67.6932 -17.2098 PRESSAVG: 4515400 -3.94072 -1.65883 12.0015 -1.65878 -32.883 -9.9445 12.0015 -9.94455 51.3053 GPRESSAVG: 4515400 -4.93996 -3.82956 12.2063 -0.466378 -32.0106 -9.94856 11.5514 -10.9454 51.2007 TIMING: 4515400 CPU: 13570.1, 0.00303183/step Wall: 13570.1, 0.00303183/step, 0.408118 hours remaining, 207.933594 MB of memory in use. ENERGY: 4515400 756.9154 2074.1210 1959.7253 137.3891 -206641.9580 17965.4646 0.0000 0.0000 34028.2683 -149720.0742 297.1773 -183748.3425 -149621.2586 297.7744 -37.6522 -7.7783 557459.5795 4.8272 4.7500 PRESSURE: 4515600 -73.9909 23.6622 123.35 23.6611 -258.729 134.294 123.35 134.292 -86.3298 GPRESSURE: 4515600 -57.4738 12.1729 124.282 22.4484 -218.266 89.8187 119.448 116.846 -43.7516 PRESSAVG: 4515600 26.5625 -60.2626 31.3058 -60.2628 -18.7921 -24.1931 31.3058 -24.193 25.9117 GPRESSAVG: 4515600 27.7443 -59.8409 29.2499 -61.6035 -20.1368 -22.7493 32.3369 -25.7238 26.5903 TIMING: 4515600 CPU: 13570.7, 0.00303363/step Wall: 13570.7, 0.00303363/step, 0.408191 hours remaining, 207.933594 MB of memory in use. ENERGY: 4515600 744.9557 2144.2718 1944.4186 111.7755 -206245.9383 17562.2229 0.0000 0.0000 33893.1831 -149845.1107 295.9976 -183738.2939 -149756.4225 297.4871 -139.6834 -106.4973 556972.3454 11.2274 11.3993 PRESSURE: 4515800 -10.4595 207.279 -62.5795 207.279 138.803 80.115 -62.5793 80.1136 33.9244 GPRESSURE: 4515800 29.2385 165.638 -45.4196 166.762 216.461 32.0339 -32.5494 44.0745 18.2473 PRESSAVG: 4515800 36.2942 12.7008 -48.7183 12.7008 20.253 58.5366 -48.7183 58.5364 -13.8127 GPRESSAVG: 4515800 36.173 12.9115 -48.2985 13.8835 22.1264 58.8754 -50.0649 59.1554 -15.2593 TIMING: 4515800 CPU: 13571.3, 0.00301151/step Wall: 13571.3, 0.00301151/step, 0.405048 hours remaining, 207.933594 MB of memory in use. ENERGY: 4515800 751.0657 2051.0137 1930.7435 103.1600 -206902.6924 18128.4118 0.0000 0.0000 34294.3276 -149643.9701 299.5009 -183938.2978 -149551.8301 297.4918 54.0892 87.9821 556354.2785 14.2448 14.3467 PRESSURE: 4516000 -387.997 -164.085 47.9881 -164.085 -192.947 -108.331 47.9869 -108.33 -8.45791 GPRESSURE: 4516000 -334.001 -151.213 -16.4169 -182.618 -148.878 -120.594 124.569 -37.1538 1.8105 PRESSAVG: 4516000 72.0816 58.5117 -3.12948 58.5116 2.24039 -7.16401 -3.12952 -7.16384 -65.864 GPRESSAVG: 4516000 70.3844 57.5555 -3.44328 59.6892 1.19958 -9.47511 -3.74954 -4.73107 -63.5904 TIMING: 4516000 CPU: 13571.9, 0.0030505/step Wall: 13571.9, 0.0030505/step, 0.410123 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: 4516000 721.8614 2066.9656 1935.4245 112.4616 -206126.8765 17418.8127 0.0000 0.0000 34285.9056 -149585.4450 299.4273 -183871.3507 -149485.1978 298.6215 -196.4670 -160.3564 556472.8673 2.8193 2.6645 PRESSURE: 4516200 -336.798 129.402 82.8844 129.402 -238.33 52.3815 82.8843 52.3816 -84.2752 GPRESSURE: 4516200 -285.008 154.476 73.7883 152.407 -221.382 60.0906 52.0512 58.1554 -52.8852 PRESSAVG: 4516200 -36.7538 63.0632 -19.0287 63.0632 -18.4482 54.8353 -19.0286 54.8354 48.084 GPRESSAVG: 4516200 -35.1566 65.5906 -17.4842 60.2835 -18.1441 55.3217 -19.7957 54.3067 46.3175 TIMING: 4516200 CPU: 13572.5, 0.00303785/step Wall: 13572.5, 0.00303785/step, 0.408253 hours remaining, 207.933594 MB of memory in use. ENERGY: 4516200 791.5771 2037.3609 1965.4976 107.0388 -206334.4358 17541.9497 0.0000 0.0000 34236.6896 -149654.3221 298.9975 -183891.0117 -149559.8718 298.0038 -219.8009 -186.4250 556517.1325 -2.3726 -2.3277 LDB: ============= START OF LOAD BALANCING ============== 13576 LDB: ============== END OF LOAD BALANCING =============== 13576 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13576 LDB: ============= START OF LOAD BALANCING ============== 13576.3 LDB: Largest compute 4820 load 0.026458 is 22.4% of average load 0.118144 LDB: Average compute 0.001736 is 1.5% of average load 0.118144 LDB: TIME 13576.3 LOAD: AVG 0.118144 MAX 0.215044 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.797 MB LDB: TIME 13576.3 LOAD: AVG 0.118144 MAX 0.215044 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.859 MB LDB: TIME 13576.3 LOAD: AVG 0.118144 MAX 0.215044 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.859 MB LDB: ============== END OF LOAD BALANCING =============== 13576.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13576.3 PRESSURE: 4516400 -144.561 107.686 -84.1366 107.685 40.496 287.415 -84.1361 287.415 -95.2221 GPRESSURE: 4516400 -119.745 116.937 -54.1203 45.6749 83.0269 242.741 -135.659 270.567 -70.5367 PRESSAVG: 4516400 42.9121 39.8375 40.1201 39.8374 28.9397 -11.3346 40.1201 -11.3347 -25.8627 GPRESSAVG: 4516400 41.8076 38.2906 39.5208 40.3109 29.563 -8.58959 41.7417 -15.2622 -25.8591 TIMING: 4516400 CPU: 13573.2, 0.00310533/step Wall: 13573.2, 0.00310533/step, 0.41715 hours remaining, 208.089844 MB of memory in use. ENERGY: 4516400 789.3255 1995.2812 1936.9386 108.1801 -206504.6211 17863.0402 0.0000 0.0000 34243.3595 -149568.4960 299.0558 -183811.8555 -149466.6725 298.0207 -66.4289 -35.7517 557245.7668 15.3297 15.1705 PRESSURE: 4516600 -277.605 -43.0348 59.5916 -43.0357 -121.113 -46.0122 59.592 -46.0128 -95.2646 GPRESSURE: 4516600 -228.53 -79.7219 101.105 -2.86201 -89.6774 -23.5709 120.045 -8.12998 -58.9033 PRESSAVG: 4516600 -29.5592 72.9962 9.2368 72.9962 92.572 53.2846 9.23684 53.2846 -64.4107 GPRESSAVG: 4516600 -29.0245 73.1869 9.23948 73.0041 92.1397 52.8248 8.96996 54.7321 -65.2174 TIMING: 4516600 CPU: 13573.8, 0.00305236/step Wall: 13573.8, 0.00305236/step, 0.409864 hours remaining, 208.292969 MB of memory in use. ENERGY: 4516600 746.7746 2075.0147 1922.1471 123.3217 -206212.2696 17559.0180 0.0000 0.0000 34086.0282 -149699.9653 297.6818 -183785.9935 -149600.3735 297.9179 -164.6608 -125.7034 557351.2364 -0.4660 -0.7007 PRESSURE: 4516800 71.8946 35.242 5.95456 35.2423 -185.157 114.241 5.95408 114.241 -28.3155 GPRESSURE: 4516800 82.9247 57.8044 38.3072 1.09409 -149.491 124.802 -31.7053 86.4547 11.6999 PRESSAVG: 4516800 50.5427 -4.53923 4.5274 -4.53926 40.8543 13.4708 4.52738 13.4709 -85.2603 GPRESSAVG: 4516800 51.214 -4.61119 5.33192 -5.65536 39.6841 12.7762 6.22192 14.1207 -85.2758 TIMING: 4516800 CPU: 13574.4, 0.00304107/step Wall: 13574.4, 0.00304107/step, 0.408179 hours remaining, 208.292969 MB of memory in use. ENERGY: 4516800 714.0148 2070.5817 1928.2039 112.7849 -206227.6890 17596.5568 0.0000 0.0000 33892.2210 -149913.3259 295.9892 -183805.5469 -149822.1299 297.7162 -47.1925 -18.2887 557036.6975 2.0456 1.8741 PRESSURE: 4517000 -251.44 93.8272 -93.4275 93.8273 -94.4265 30.6254 -93.4287 30.6242 68.0368 GPRESSURE: 4517000 -191.362 49.7455 -76.4743 76.9108 -100.055 -1.85324 -65.229 50.9394 123.908 PRESSAVG: 4517000 89.0977 42.3619 28.4537 42.3619 -15.3333 63.6453 28.4537 63.6453 -97.928 GPRESSAVG: 4517000 86.9586 39.9336 27.8384 44.4207 -14.1928 62.7328 28.1177 64.8782 -96.9864 TIMING: 4517000 CPU: 13575, 0.00303873/step Wall: 13575, 0.00303873/step, 0.407697 hours remaining, 208.292969 MB of memory in use. ENERGY: 4517000 755.6172 2104.2353 1928.6220 123.6679 -206519.5370 17746.0250 0.0000 0.0000 33938.1020 -149923.2675 296.3899 -183861.3695 -149826.7158 296.7254 -92.6098 -55.8362 555468.7022 -8.0545 -8.0735 PRESSURE: 4517200 -29.4019 -44.7712 -60.7049 -44.7715 18.7125 -9.13113 -60.7047 -9.13116 -189.512 GPRESSURE: 4517200 -42.6 -22.8119 -51.2478 -33.0366 91.6363 20.6716 -121.417 6.73196 -143.817 PRESSAVG: 4517200 -0.837078 26.1353 74.6763 26.1353 54.8044 59.3251 74.6763 59.3251 -56.3341 GPRESSAVG: 4517200 0.486055 27.6752 75.4135 24.9613 53.6284 61.707 72.084 58.2105 -56.2719 TIMING: 4517200 CPU: 13575.6, 0.00303177/step Wall: 13575.6, 0.00303177/step, 0.406594 hours remaining, 208.292969 MB of memory in use. ENERGY: 4517200 742.2565 2062.9168 1952.6714 115.4650 -206460.2702 17754.0710 0.0000 0.0000 34071.7416 -149761.1479 297.5570 -183832.8895 -149661.6878 297.3958 -66.7339 -31.5937 557198.6116 -0.7889 -0.7192 PRESSURE: 4517400 -320.647 -26.9668 59.4912 -26.9663 128.275 22.5255 59.4913 22.5251 -135.829 GPRESSURE: 4517400 -299.288 -126.683 58.4958 58.0389 161.705 52.5538 39.9995 -106.055 -93.1706 PRESSAVG: 4517400 6.53038 28.0249 19.3191 28.0248 35.8238 -23.8356 19.3192 -23.8357 -4.94934 GPRESSAVG: 4517400 6.09053 29.3661 18.155 28.749 36.7536 -28.7919 21.3683 -21.9794 -4.84678 TIMING: 4517400 CPU: 13576.2, 0.00304377/step Wall: 13576.2, 0.00304377/step, 0.408034 hours remaining, 208.292969 MB of memory in use. ENERGY: 4517400 728.3506 2097.9289 1955.7285 122.6305 -206340.8685 17662.0432 0.0000 0.0000 34236.3099 -149537.8770 298.9942 -183774.1869 -149439.7390 297.9706 -109.4001 -76.9179 557938.1909 12.4683 12.6658 PRESSURE: 4517600 -355.351 3.12725 -7.32175 3.1275 -216.261 -13.706 -7.32074 -13.7057 -254.93 GPRESSURE: 4517600 -338.183 47.4225 22.4973 4.42692 -196.591 50.987 38.4481 -117.722 -188.753 PRESSAVG: 4517600 -10.6739 -56.4474 59.0927 -56.4475 43.2557 -33.8851 59.0928 -33.885 -55.3119 GPRESSAVG: 4517600 -9.81971 -58.0365 59.1189 -55.937 43.2312 -31.7764 57.6229 -36.164 -56.0086 TIMING: 4517600 CPU: 13576.8, 0.00303689/step Wall: 13576.8, 0.00303689/step, 0.406943 hours remaining, 208.292969 MB of memory in use. ENERGY: 4517600 777.4475 2108.5594 1935.3707 113.3375 -205774.7384 17367.0115 0.0000 0.0000 34010.6764 -149462.3355 297.0237 -183473.0119 -149362.2850 298.3264 -275.5140 -241.1754 558136.5535 -7.5767 -7.5324 PRESSURE: 4517800 -34.9061 -69.7392 40.6339 -69.7397 -123.052 114.096 40.6347 114.094 -40.312 GPRESSURE: 4517800 88.9811 -46.8703 78.7782 -117.307 -65.786 154.32 -41.1771 67.5842 -115.852 PRESSAVG: 4517800 23.9044 -37.391 5.8438 -37.391 96.5457 36.1436 5.84383 36.1436 -62.7032 GPRESSAVG: 4517800 23.7599 -35.0375 7.83012 -39.7052 96.0325 37.0743 5.26571 37.6984 -61.8141 TIMING: 4517800 CPU: 13577.4, 0.00303207/step Wall: 13577.4, 0.00303207/step, 0.406128 hours remaining, 208.292969 MB of memory in use. ENERGY: 4517800 752.4334 2142.5158 1926.5163 115.1628 -206261.4832 17765.4724 0.0000 0.0000 34306.7432 -149252.6393 299.6093 -183559.3825 -149152.5580 299.0213 -66.0901 -30.8856 557872.5680 19.2490 19.3261 PRESSURE: 4518000 18.6911 -8.46701 -35.8568 -8.46684 -405.377 -48.9251 -35.8564 -48.9246 4.95548 GPRESSURE: 4518000 59.1853 32.5856 -39.5993 0.313161 -381.772 -56.556 45.4015 -66.0719 34.0278 PRESSAVG: 4518000 30.6227 49.4572 44.9867 49.4571 3.30557 -5.45885 44.9868 -5.45888 -92.0841 GPRESSAVG: 4518000 30.5442 48.8249 43.3574 49.5986 3.46335 -6.07326 46.6969 -3.78954 -92.286 TIMING: 4518000 CPU: 13578, 0.00303697/step Wall: 13578, 0.00303697/step, 0.406616 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: 4518000 762.1992 2149.2193 1913.2938 113.1247 -206195.7035 17777.1033 0.0000 0.0000 34191.9220 -149288.8414 298.6066 -183480.7633 -149191.7596 299.0497 -127.2434 -96.1862 558241.5580 -19.3853 -19.4261 PRESSURE: 4518200 65.8201 -61.2757 11.4686 -61.274 -115.853 53.9467 11.4697 53.9465 -346.265 GPRESSURE: 4518200 128.363 -132.131 112.6 0.805617 -16.2647 11.644 -45.1261 -8.44917 -411.103 PRESSAVG: 4518200 59.587 39.3525 10.119 39.3526 -15.5659 11.971 10.1189 11.9709 -83.9747 GPRESSAVG: 4518200 59.8459 38.1134 10.1384 42.0059 -15.6555 11.8671 10.5111 10.4198 -84.1496 TIMING: 4518200 CPU: 13578.6, 0.00304995/step Wall: 13578.6, 0.00304995/step, 0.408186 hours remaining, 208.292969 MB of memory in use. ENERGY: 4518200 740.6780 2030.8763 1943.7797 94.4206 -206280.5307 17702.6420 0.0000 0.0000 34479.5321 -149288.6020 301.1183 -183768.1341 -149193.8156 299.1370 -132.0993 -99.6682 556130.4184 -13.3179 -13.3198 PRESSURE: 4518400 33.0164 109.921 66.9648 109.921 -506.803 96.3724 66.963 96.3729 -305.986 GPRESSURE: 4518400 60.243 128.061 5.03111 60.8269 -459.858 92.3089 51.7682 105.611 -285.214 PRESSAVG: 4518400 92.0322 -10.2854 -60.5494 -10.2853 -21.239 19.2568 -60.5494 19.2568 -78.9595 GPRESSAVG: 4518400 92.1938 -10.0222 -59.9097 -11.4459 -21.6414 19.3255 -62.2972 19.9532 -78.9743 TIMING: 4518400 CPU: 13579.2, 0.00304119/step Wall: 13579.2, 0.00304119/step, 0.406843 hours remaining, 208.292969 MB of memory in use. ENERGY: 4518400 787.4674 2061.2618 1940.4414 109.1925 -205941.4922 17607.2048 0.0000 0.0000 34061.3899 -149374.5345 297.4666 -183435.9244 -149279.7516 298.5220 -259.9245 -228.2763 557128.4810 -2.7221 -2.8073 PRESSURE: 4518600 -41.0823 21.2698 61.5512 21.2701 -86.5427 104.192 61.5504 104.192 -69.4153 GPRESSURE: 4518600 -10.8764 -2.88266 -26.9736 31.2861 -2.01678 111.131 112.164 10.0481 -86.7301 PRESSAVG: 4518600 79.3176 18.3345 33.0603 18.3344 26.8615 -6.18241 33.0603 -6.18229 -94.1745 GPRESSAVG: 4518600 77.2713 19.3181 32.3268 19.4867 27.5242 -4.62302 34.289 -6.67999 -93.2393 TIMING: 4518600 CPU: 13579.8, 0.00303145/step Wall: 13579.8, 0.00303145/step, 0.405372 hours remaining, 208.292969 MB of memory in use. ENERGY: 4518600 757.4262 2079.1205 1966.7341 116.9309 -205890.9824 17616.0499 0.0000 0.0000 34083.7216 -149270.9994 297.6616 -183354.7210 -149177.1544 298.8881 -65.6801 -33.2078 557349.9011 4.0015 3.8521 PRESSURE: 4518800 49.1544 18.7753 38.6812 18.7759 130.557 -136.021 38.6815 -136.019 1.79381 GPRESSURE: 4518800 118.859 40.9243 46.3329 67.3957 136.507 -204.553 -41.3348 -162.199 30.7561 PRESSAVG: 4518800 62.1907 63.8661 -2.58747 63.8661 -58.816 42.6247 -2.58745 42.6248 -11.7343 GPRESSAVG: 4518800 64.248 64.9464 -1.72904 61.8931 -58.9591 40.8245 -5.21462 42.0778 -13.4463 TIMING: 4518800 CPU: 13580.4, 0.00301944/step Wall: 13580.4, 0.00301944/step, 0.403598 hours remaining, 208.292969 MB of memory in use. ENERGY: 4518800 753.0038 2086.9993 1980.9915 125.4314 -206192.5627 17859.0096 0.0000 0.0000 34146.5254 -149240.6018 298.2101 -183387.1272 -149141.1823 299.1786 60.5019 95.3740 556528.3424 -2.7865 -2.7192 PRESSURE: 4519000 -125.276 -55.6373 -36.4715 -55.6374 -111.757 28.5956 -36.4709 28.5937 93.7129 GPRESSURE: 4519000 -42.3578 -43.5369 -35.2576 -59.726 -103.681 66.3223 -27.5743 -12.215 104.264 PRESSAVG: 4519000 17.0096 -25.4763 -13.9024 -25.4763 -7.91937 -49.5548 -13.9023 -49.5548 -17.1929 GPRESSAVG: 4519000 16.7994 -28.6447 -15.7572 -23.1779 -7.97286 -47.6499 -10.3069 -49.5756 -16.2922 TIMING: 4519000 CPU: 13581, 0.00301814/step Wall: 13581, 0.00301814/step, 0.403257 hours remaining, 208.292969 MB of memory in use. ENERGY: 4519000 722.2089 2097.9833 1963.9913 123.0160 -206273.4203 17758.4014 0.0000 0.0000 34253.7365 -149354.0831 299.1464 -183607.8195 -149259.6522 298.6283 -47.7736 -13.9252 558028.8678 -2.7009 -2.4885 PRESSURE: 4519200 -192.599 50.3879 -47.3636 50.3905 -158.711 -104.885 -47.3638 -104.884 -229.08 GPRESSURE: 4519200 -178.895 -4.15479 -91.6206 21.0269 -142.434 -177.346 -30.4194 -30.4463 -153.161 PRESSAVG: 4519200 -14.1254 -38.8953 31.7945 -38.8953 3.62543 -17.7037 31.7945 -17.7039 -13.4359 GPRESSAVG: 4519200 -14.7784 -36.9548 33.0887 -40.2867 4.47334 -19.8579 30.2858 -15.1839 -13.5712 TIMING: 4519200 CPU: 13581.6, 0.00298973/step Wall: 13581.6, 0.00298973/step, 0.399295 hours remaining, 208.292969 MB of memory in use. ENERGY: 4519200 746.6397 2042.1158 1938.4121 106.3588 -206048.0101 17534.2318 0.0000 0.0000 34390.2808 -149289.9711 300.3389 -183680.2519 -149188.5759 298.8558 -193.4635 -158.1631 557678.1586 -7.9786 -7.9587 PRESSURE: 4519400 -252.411 26.8252 -185.32 26.8258 -278.83 22.1258 -185.319 22.1278 -34.1347 GPRESSURE: 4519400 -220.973 -30.1663 -155.951 50.6548 -219.308 40.4501 -197.181 27.7374 -34.1098 PRESSAVG: 4519400 -37.4222 10.8146 12.3501 10.8146 15.8802 -51.7644 12.3502 -51.7642 34.6525 GPRESSAVG: 4519400 -37.0949 7.41378 10.2381 11.0635 14.3189 -48.8243 12.4717 -54.8917 35.4051 TIMING: 4519400 CPU: 13582.2, 0.00301615/step Wall: 13582.2, 0.00301615/step, 0.402657 hours remaining, 208.292969 MB of memory in use. ENERGY: 4519400 769.8998 2120.4408 1930.8113 108.5524 -206599.3901 17883.0113 0.0000 0.0000 34456.8160 -149329.8586 300.9199 -183786.6746 -149232.9839 299.3297 -188.4585 -158.1304 558527.9270 4.3702 4.2097 PRESSURE: 4519600 -277.838 -126.077 -35.4403 -126.075 34.1154 -23.49 -35.4406 -23.4895 -227.231 GPRESSURE: 4519600 -257.695 -89.7927 -113.075 -137.167 64.3706 -14.1315 3.98695 -68.8921 -179.151 PRESSAVG: 4519600 20.7196 -12.3544 -61.6095 -12.3545 28.2733 -7.95994 -61.6095 -7.95987 -36.6009 GPRESSAVG: 4519600 19.7765 -9.79131 -62.4673 -13.4121 29.7856 -10.6502 -58.1319 -6.97732 -36.9599 TIMING: 4519600 CPU: 13582.9, 0.00302912/step Wall: 13582.9, 0.00302912/step, 0.404219 hours remaining, 208.292969 MB of memory in use. ENERGY: 4519600 755.9957 2031.4999 1907.1806 110.3470 -206118.1037 17652.5235 0.0000 0.0000 34163.3397 -149497.2174 298.3569 -183660.5571 -149388.7238 298.7244 -156.9846 -124.1584 558146.8753 4.1307 4.2007 PRESSURE: 4519800 -9.01156 214.662 -78.4533 214.662 9.13545 -60.1801 -78.4535 -60.1788 -208.594 GPRESSURE: 4519800 9.57743 165.721 19.449 176.636 13.3095 31.3798 -114.508 -132.689 -129.162 PRESSAVG: 4519800 32.3887 37.7903 -25.7047 37.7903 11.598 -24.5537 -25.7047 -24.5536 -52.1687 GPRESSAVG: 4519800 33.499 38.4033 -24.5564 37.2742 10.4651 -23.0581 -27.837 -23.359 -52.1775 TIMING: 4519800 CPU: 13583.5, 0.00306614/step Wall: 13583.5, 0.00306614/step, 0.408989 hours remaining, 208.292969 MB of memory in use. ENERGY: 4519800 741.3260 2055.0089 1924.7476 112.5843 -206234.3577 17760.5302 0.0000 0.0000 34205.2400 -149434.9206 298.7229 -183640.1606 -149331.8692 297.7290 -69.4901 -35.4250 559087.3388 -2.7273 -2.7378 PRESSURE: 4520000 117.342 44.9865 94.6901 44.9856 -104.456 -3.24106 94.6912 -3.24131 -284.185 GPRESSURE: 4520000 81.8113 -9.39503 15.6359 78.7607 5.45494 -17.4943 63.4583 7.76075 -256.187 PRESSAVG: 4520000 42.2745 2.74909 29.6753 2.74889 12.4233 -48.3258 29.6752 -48.3258 -73.4773 GPRESSAVG: 4520000 41.8447 2.41938 30.3811 2.30476 12.833 -46.9448 30.4015 -49.3192 -73.4641 TIMING: 4520000 CPU: 13584.1, 0.00303602/step Wall: 13584.1, 0.00303602/step, 0.404803 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: 4520000 751.3188 2087.2756 1901.1601 103.2610 -206359.4594 17822.8484 0.0000 0.0000 34299.9866 -149393.6090 299.5503 -183693.5955 -149300.2603 299.1427 -90.4328 -56.3070 556815.6793 -6.2598 -6.2621 PRESSURE: 4520200 79.0841 119.284 -3.84486 119.283 -244.316 -165.841 -3.84631 -165.84 184.187 GPRESSURE: 4520200 184.088 180.265 -52.4363 58.0446 -203.801 -136.151 9.05579 -136.11 127.033 PRESSAVG: 4520200 2.85985 -5.38052 -16.3976 -5.38039 5.08232 -18.5305 -16.3976 -18.5305 -21.3928 GPRESSAVG: 4520200 3.36146 -5.34423 -14.6845 -4.50143 4.98848 -19.5812 -19.2522 -18.6372 -22.4563 TIMING: 4520200 CPU: 13584.7, 0.00302033/step Wall: 13584.7, 0.00302033/step, 0.402543 hours remaining, 208.292969 MB of memory in use. ENERGY: 4520200 780.8111 2062.8283 1926.5712 119.4551 -206629.8963 18038.9948 0.0000 0.0000 34290.2404 -149410.9954 299.4652 -183701.2358 -149311.9320 298.6700 6.3183 35.7735 557521.4172 -4.4835 -4.7021 LDB: ============= START OF LOAD BALANCING ============== 13588.1 LDB: ============== END OF LOAD BALANCING =============== 13588.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13588.1 LDB: ============= START OF LOAD BALANCING ============== 13588.4 LDB: Largest compute 4820 load 0.025995 is 22.0% of average load 0.118122 LDB: Average compute 0.001732 is 1.5% of average load 0.118122 LDB: TIME 13588.4 LOAD: AVG 0.118122 MAX 0.213064 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.77 MB LDB: TIME 13588.4 LOAD: AVG 0.118122 MAX 0.213064 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.773 MB LDB: TIME 13588.4 LOAD: AVG 0.118122 MAX 0.213064 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.773 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13588.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13588.4 PRESSURE: 4520400 177.259 23.0246 159.617 23.0244 171.789 -37.5764 159.616 -37.5757 127.755 GPRESSURE: 4520400 209.096 34.975 120.675 84.1559 239.114 -52.1477 153.355 -19.6715 133.556 PRESSAVG: 4520400 23.5362 37.3279 -16.603 37.3279 -2.94471 10.2855 -16.6031 10.2856 -41.2457 GPRESSAVG: 4520400 22.3732 35.3894 -17.2378 39.6117 -3.87934 10.5523 -14.2089 9.42495 -39.6698 TIMING: 4520400 CPU: 13585.3, 0.0030757/step Wall: 13585.3, 0.0030757/step, 0.409752 hours remaining, 208.343750 MB of memory in use. ENERGY: 4520400 728.8011 2082.1029 1949.5016 109.6190 -206705.4422 18109.8956 0.0000 0.0000 34357.5287 -149367.9933 300.0528 -183725.5220 -149272.1984 298.3514 158.9342 193.9219 555603.8016 -6.8848 -7.0587 PRESSURE: 4520600 -39.1625 -199.591 -57.3131 -199.59 136.758 213.466 -57.3144 213.464 -73.8066 GPRESSURE: 4520600 -17.9388 -200.016 1.23379 -218.385 155.312 210.924 -62.3238 89.0746 -16.1634 PRESSAVG: 4520600 -23.1672 30.3231 5.81991 30.3231 93.9443 -3.10969 5.81994 -3.1097 -48.3698 GPRESSAVG: 4520600 -22.8894 30.6879 5.81499 29.0965 94.8353 -4.17989 4.42392 -1.57749 -49.6269 TIMING: 4520600 CPU: 13585.9, 0.00301069/step Wall: 13585.9, 0.00301069/step, 0.400924 hours remaining, 208.343750 MB of memory in use. ENERGY: 4520600 728.4573 2088.2252 1929.4760 108.7398 -206669.5659 17915.6053 0.0000 0.0000 34295.6718 -149603.3905 299.5126 -183899.0623 -149508.1456 298.4610 7.9296 40.4031 556038.0777 7.4691 7.4397 PRESSURE: 4520800 -122.429 79.5032 -31.4124 79.5021 22.8759 167.422 -31.4129 167.422 -28.2006 GPRESSURE: 4520800 -101.128 107.761 -77.3089 12.3259 96.6273 35.7234 72.2336 256.392 -12.1632 PRESSAVG: 4520800 -36.7069 -20.7531 -51.4943 -20.7531 69.4526 12.9662 -51.4943 12.9663 -41.4335 GPRESSAVG: 4520800 -37.3849 -18.9917 -51.9762 -21.2595 69.0706 10.0054 -49.4858 14.7037 -40.9382 TIMING: 4520800 CPU: 13586.5, 0.00301314/step Wall: 13586.5, 0.00301314/step, 0.401082 hours remaining, 208.343750 MB of memory in use. ENERGY: 4520800 738.8569 2035.0706 1921.8668 118.6885 -206176.4246 17642.9348 0.0000 0.0000 34053.8080 -149665.1989 297.4004 -183719.0069 -149562.2265 298.5664 -42.5846 -5.5546 555332.2543 -2.8959 -3.0841 PRESSURE: 4521000 -317.516 -5.61135 -83.6836 -5.61114 308.815 72.0486 -83.6828 72.0484 -200.807 GPRESSURE: 4521000 -238.904 24.7723 -57.4857 -82.3892 277.307 7.63727 -138.876 117.601 -149.534 PRESSAVG: 4521000 -3.04807 18.1622 47.1113 18.1622 47.8333 -54.6729 47.1112 -54.6728 -57.283 GPRESSAVG: 4521000 -2.55158 18.3909 45.8158 17.4423 47.1188 -52.7459 46.293 -54.5746 -57.1825 TIMING: 4521000 CPU: 13587.1, 0.00299818/step Wall: 13587.1, 0.00299818/step, 0.398924 hours remaining, 208.343750 MB of memory in use. ENERGY: 4521000 775.5266 2034.1059 1938.1241 116.3143 -206391.6835 17685.3068 0.0000 0.0000 34235.6650 -149606.6410 298.9886 -183842.3060 -149512.8240 298.0212 -69.8358 -37.0439 555228.7944 -4.1659 -4.2051 PRESSURE: 4521200 -134.102 59.858 39.4449 59.8584 -151.301 -67.2875 39.4446 -67.2879 -92.1966 GPRESSURE: 4521200 -70.2706 94.437 2.65924 37.4552 -96.3338 -67.0957 39.0851 -50.6101 -105.909 PRESSAVG: 4521200 17.5997 36.2553 10.4189 36.2552 -36.4385 -45.381 10.4189 -45.3809 14.9793 GPRESSAVG: 4521200 17.543 35.1106 13.2128 36.5588 -36.0297 -43.691 9.5896 -47.2001 14.7756 TIMING: 4521200 CPU: 13587.7, 0.00299653/step Wall: 13587.7, 0.00299653/step, 0.398538 hours remaining, 208.343750 MB of memory in use. ENERGY: 4521200 733.1067 2114.6279 1933.8238 122.2470 -205912.0187 17518.5704 0.0000 0.0000 33951.1862 -149538.4566 296.5042 -183489.6427 -149436.1523 297.6750 -125.8665 -90.8377 558181.6359 -1.2865 -1.2370 PRESSURE: 4521400 -213.492 12.3888 -56.9009 12.3892 -101.427 -2.74638 -56.9002 -2.74574 45.3126 GPRESSURE: 4521400 -204.407 2.77531 59.5555 -85.9186 -84.778 28.1146 -52.078 15.7043 117.509 PRESSAVG: 4521400 36.4598 33.2897 44.1466 33.2897 -8.90138 33.9782 44.1466 33.9781 -37.4024 GPRESSAVG: 4521400 36.7253 32.5985 42.0233 34.2404 -8.9421 31.488 43.0249 34.853 -37.8726 TIMING: 4521400 CPU: 13588.3, 0.00300665/step Wall: 13588.3, 0.00300665/step, 0.399717 hours remaining, 208.343750 MB of memory in use. ENERGY: 4521400 752.9550 2117.1002 1974.3267 118.8518 -206382.7266 17556.9411 0.0000 0.0000 34207.7308 -149654.8210 298.7446 -183862.5518 -149559.1141 298.5256 -89.8687 -57.2251 556354.0349 -3.2813 -3.3631 PRESSURE: 4521600 -222.375 69.5086 145.768 69.508 -30.4957 151.419 145.767 151.418 -145.962 GPRESSURE: 4521600 -181.723 -45.0813 124.517 68.845 -31.6419 212.476 145.299 108.434 -99.6268 PRESSAVG: 4521600 -92.5427 -7.61975 43.5781 -7.61969 28.7775 82.1368 43.5781 82.1369 50.3951 GPRESSAVG: 4521600 -92.7607 -6.72818 45.4637 -7.09673 28.6272 82.7268 45.2109 82.2715 50.6102 TIMING: 4521600 CPU: 13588.9, 0.00300452/step Wall: 13588.9, 0.00300452/step, 0.399267 hours remaining, 208.343750 MB of memory in use. ENERGY: 4521600 766.5222 2071.0641 1919.4292 106.6548 -206275.8184 17571.6354 0.0000 0.0000 34160.4974 -149680.0153 298.3321 -183840.5127 -149587.8895 298.0051 -132.9443 -104.3307 555845.9497 -4.4567 -4.5078 PRESSURE: 4521800 89.5068 -104.523 42.0728 -104.524 -145.759 50.9216 42.0724 50.921 28.9793 GPRESSURE: 4521800 154.959 -75.0154 41.0871 -124.102 -132.68 52.9707 -8.86237 41.6701 45.4032 PRESSAVG: 4521800 93.5813 48.7622 -14.2106 48.7621 11.2269 12.2469 -14.2106 12.247 -75.0213 GPRESSAVG: 4521800 93.2765 49.8605 -16.7898 47.2715 10.1241 14.2273 -14.1556 12.3883 -74.2526 TIMING: 4521800 CPU: 13589.5, 0.00298537/step Wall: 13589.5, 0.00298537/step, 0.396557 hours remaining, 208.343750 MB of memory in use. ENERGY: 4521800 764.7777 2076.1820 1944.5826 107.8810 -206529.3902 17901.5633 0.0000 0.0000 34088.9892 -149645.4144 297.7076 -183734.4036 -149559.2505 297.4056 -9.0910 22.5609 556530.0920 9.9290 9.7160 PRESSURE: 4522000 88.2651 128.1 94.0319 128.1 -135.062 -113.869 94.0328 -113.869 163.387 GPRESSURE: 4522000 141.649 34.2505 149.366 95.6373 -129.225 -50.118 95.3885 -128.019 197.362 PRESSAVG: 4522000 -0.875559 -19.5961 -38.6657 -19.5961 46.8427 -65.6286 -38.6656 -65.6287 -21.7691 GPRESSAVG: 4522000 0.201519 -20.7577 -37.4448 -20.2596 46.9713 -66.9199 -38.4438 -66.0601 -22.9872 TIMING: 4522000 CPU: 13590.1, 0.00300692/step Wall: 13590.1, 0.00300692/step, 0.399252 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: 4522000 787.1351 2022.4433 1966.0871 111.6958 -206487.6862 17831.0499 0.0000 0.0000 34107.0901 -149662.1850 297.8657 -183769.2751 -149568.1195 298.3223 38.8633 69.9291 555043.7344 8.0660 8.0619 PRESSURE: 4522200 189.04 82.4269 -121.955 82.4266 102.311 -10.0826 -121.956 -10.0841 90.0483 GPRESSURE: 4522200 263.034 118.172 -174.842 85.5747 184.284 59.5216 -131.384 -85.8444 36.808 PRESSAVG: 4522200 74.7661 4.90071 -18.0789 4.90084 -28.1583 -28.0338 -18.0789 -28.0338 -19.8489 GPRESSAVG: 4522200 74.1581 6.83812 -17.9089 5.69172 -28.2972 -28.1118 -17.5407 -28.5799 -19.7565 TIMING: 4522200 CPU: 13590.7, 0.00302783/step Wall: 13590.7, 0.00302783/step, 0.40186 hours remaining, 208.343750 MB of memory in use. ENERGY: 4522200 733.0020 2072.8090 1934.4598 106.8606 -206627.4757 18012.9737 0.0000 0.0000 34131.2925 -149636.0781 298.0771 -183767.3706 -149535.3387 298.6235 127.1331 161.3756 555271.6900 8.9197 8.7014 PRESSURE: 4522400 115.529 -62.9124 -63.4483 -62.9124 22.2857 80.8241 -63.4495 80.8241 41.8963 GPRESSURE: 4522400 93.5777 -101.314 -137.403 -83.4655 107.467 138.634 43.918 89.2909 68.1728 PRESSAVG: 4522400 47.8203 36.3375 -19.4331 36.3375 52.7226 40.9079 -19.4332 40.9078 -87.3225 GPRESSAVG: 4522400 48.2326 33.4194 -19.8425 37.5542 52.9134 39.9398 -21.5424 40.778 -87.7438 TIMING: 4522400 CPU: 13591.3, 0.00302482/step Wall: 13591.3, 0.00302482/step, 0.401292 hours remaining, 208.343750 MB of memory in use. ENERGY: 4522400 739.2157 2094.9321 1943.1320 103.4745 -206605.8522 17969.1657 0.0000 0.0000 34098.0021 -149657.9300 297.7863 -183755.9321 -149559.5069 298.2111 59.9036 89.7391 557458.1862 4.4068 4.4674 PRESSURE: 4522600 -14.473 -193.882 72.9961 -193.881 41.9692 -211.114 72.9963 -211.115 149.961 GPRESSURE: 4522600 12.7385 -30.6251 -28.1935 -220.942 36.8456 -58.1438 88.9221 -296.326 215.969 PRESSAVG: 4522600 -41.4405 -28.6457 -48.6893 -28.6456 36.4281 -4.32594 -48.6892 -4.32591 42.9376 GPRESSAVG: 4522600 -42.243 -26.4777 -49.8337 -29.6042 36.7857 -2.29848 -47.5856 -4.73047 42.8914 TIMING: 4522600 CPU: 13591.9, 0.00301471/step Wall: 13591.9, 0.00301471/step, 0.399784 hours remaining, 208.343750 MB of memory in use. ENERGY: 4522600 744.4722 2128.1164 1943.1286 114.1518 -206580.2484 17978.3869 0.0000 0.0000 34131.6303 -149540.3622 298.0800 -183671.9924 -149447.1137 297.6952 59.1525 88.5176 557886.5684 12.6417 12.4780 PRESSURE: 4522800 -397.661 125.701 24.3452 125.7 -203.37 96.7458 24.345 96.7448 -114.48 GPRESSURE: 4522800 -353.03 56.2191 62.2065 226.173 -166.197 154.535 55.3676 92.0399 -112.37 PRESSAVG: 4522800 58.4002 -27.4877 -2.48131 -27.4877 -44.5896 36.3548 -2.48127 36.3548 -8.08931 GPRESSAVG: 4522800 58.4307 -26.3921 -3.81356 -29.3475 -44.2743 33.5459 -2.2183 38.3198 -8.69093 TIMING: 4522800 CPU: 13592.5, 0.00302366/step Wall: 13592.5, 0.00302366/step, 0.400803 hours remaining, 208.343750 MB of memory in use. ENERGY: 4522800 726.5072 2082.1901 1919.9291 124.4455 -206207.3852 17686.5037 0.0000 0.0000 34077.7511 -149590.0584 297.6095 -183667.8095 -149484.7169 298.2497 -238.5034 -210.5325 558392.7774 1.9071 1.8218 PRESSURE: 4523000 -152.619 27.7809 88.9863 27.78 -64.9603 112.286 88.9863 112.286 -104.376 GPRESSURE: 4523000 -79.3928 -6.09146 125.769 21.5401 -81.7226 69.4154 63.0191 119.512 -60.2233 PRESSAVG: 4523000 -1.03515 23.795 -20.7078 23.7949 10.6522 35.3899 -20.7078 35.3899 3.26376 GPRESSAVG: 4523000 -1.79379 21.978 -20.8854 26.7617 9.6117 37.3608 -19.5693 33.4703 4.84222 TIMING: 4523000 CPU: 13593.1, 0.00304362/step Wall: 13593.1, 0.00304362/step, 0.40328 hours remaining, 208.343750 MB of memory in use. ENERGY: 4523000 777.9431 2081.3325 1924.8426 99.6296 -206471.1492 17800.9978 0.0000 0.0000 34420.3048 -149366.0990 300.6011 -183786.4038 -149267.9825 297.9867 -107.3184 -73.7796 557899.2750 4.2936 4.2200 PRESSURE: 4523200 384.121 -113.579 20.1165 -113.58 -79.0494 82.1742 20.1164 82.174 -11.4817 GPRESSURE: 4523200 332.115 -101.05 102.288 -95.6386 43.1483 25.1067 13.7523 128.749 18.7148 PRESSAVG: 4523200 -20.2723 4.493 6.12963 4.49289 -23.3349 -0.414222 6.12969 -0.414335 25.2387 GPRESSAVG: 4523200 -21.3972 4.28969 6.95998 3.50679 -21.3787 0.0162487 5.45441 -0.977892 24.8158 TIMING: 4523200 CPU: 13593.7, 0.00303679/step Wall: 13593.7, 0.00303679/step, 0.402206 hours remaining, 208.343750 MB of memory in use. ENERGY: 4523200 717.4700 2071.0858 1949.9122 110.4503 -206640.7499 18091.6605 0.0000 0.0000 34248.4266 -149451.7445 299.1000 -183700.1711 -149358.5102 298.2795 97.8632 131.3261 558332.0498 -6.1228 -5.9867 PRESSURE: 4523400 -176.948 31.0206 95.774 31.0207 -15.3376 5.39361 95.7753 5.39495 52.6721 GPRESSURE: 4523400 -154.644 100.968 113.918 -17.5889 64.2491 -10.5973 150.822 1.28244 43.3029 PRESSAVG: 4523400 -21.8695 -9.05224 37.1687 -9.05225 -15.0469 24.0133 37.1686 24.0133 18.2242 GPRESSAVG: 4523400 -19.0323 -9.00049 36.6517 -8.57047 -16.7783 21.9331 37.9525 23.0025 17.5529 TIMING: 4523400 CPU: 13594.3, 0.00301552/step Wall: 13594.3, 0.00301552/step, 0.399221 hours remaining, 208.343750 MB of memory in use. ENERGY: 4523400 721.3170 2081.3588 1923.8785 111.5469 -205887.8451 17668.2327 0.0000 0.0000 34006.4528 -149375.0584 296.9868 -183381.5111 -149279.6044 298.2300 -46.5377 -15.6973 557996.3608 -6.2307 -6.0859 PRESSURE: 4523600 -228.395 51.3739 117.432 51.3734 -285.859 47.5049 117.432 47.5055 -21.4395 GPRESSURE: 4523600 -253.731 -21.9221 107.692 38.4673 -230.54 -7.78107 90.2213 66.5458 52.021 PRESSAVG: 4523600 -43.9807 -4.71943 -25.7716 -4.71944 15.6753 -16.9195 -25.7715 -16.9196 21.0224 GPRESSAVG: 4523600 -44.7778 -4.63338 -25.0078 -5.21777 16.2783 -16.6084 -29.2169 -15.8669 21.3155 TIMING: 4523600 CPU: 13594.9, 0.00301371/step Wall: 13594.9, 0.00301371/step, 0.398814 hours remaining, 208.343750 MB of memory in use. ENERGY: 4523600 734.0720 2080.5105 1955.3528 105.0517 -205790.9245 17555.4518 0.0000 0.0000 34129.1012 -149231.3845 298.0579 -183360.4857 -149140.5242 298.4615 -178.5644 -144.0831 558120.9739 -2.4276 -2.3947 PRESSURE: 4523800 43.2458 64.5408 -129.761 64.541 -36.4001 197.321 -129.762 197.32 79.5514 GPRESSURE: 4523800 105.928 31.189 -171.488 129.494 -38.6568 112.97 -129.121 244.611 117.294 PRESSAVG: 4523800 -57.604 20.6698 18.0723 20.6698 41.6509 -10.4832 18.0722 -10.4832 22.2246 GPRESSAVG: 4523800 -57.5404 22.4833 19.742 19.1362 41.5701 -10.2855 19.9076 -8.58167 21.8873 TIMING: 4523800 CPU: 13595.5, 0.00302541/step Wall: 13595.5, 0.00302541/step, 0.400195 hours remaining, 208.343750 MB of memory in use. ENERGY: 4523800 775.5842 2063.5989 1931.0808 105.0461 -206546.6228 18077.8153 0.0000 0.0000 34152.5329 -149440.9646 298.2626 -183593.4975 -149343.2363 298.6559 28.7990 61.5217 556816.5429 2.0905 1.9723 PRESSURE: 4524000 -288.14 59.685 -28.1731 59.6853 -26.0353 -105.728 -28.1742 -105.729 -12.7207 GPRESSURE: 4524000 -268.894 74.8125 -46.2729 75.9973 31.5962 -91.5369 -8.10706 -103.068 8.65878 PRESSAVG: 4524000 -43.2449 -2.77194 9.78956 -2.772 70.7299 -42.5394 9.78965 -42.5394 -2.74443 GPRESSAVG: 4524000 -44.1621 -3.51123 10.3457 -2.28151 71.1185 -43.6678 8.08811 -43.2132 -2.48029 TIMING: 4524000 CPU: 13596.1, 0.00301883/step Wall: 13596.1, 0.00301883/step, 0.399156 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: 4524000 730.2067 2076.5102 1934.8828 108.8923 -205923.8386 17404.7284 0.0000 0.0000 34288.5680 -149380.0504 299.4506 -183668.6183 -149278.3514 298.6114 -108.9652 -76.2131 557271.7658 8.2469 8.1587 PRESSURE: 4524200 -40.6827 -61.4045 -109.545 -61.404 -184.464 -32.2854 -109.545 -32.2846 -14.4245 GPRESSURE: 4524200 15.5117 -10.0858 -158.033 -45.6117 -221.075 -108.535 -125.881 32.367 73.8132 PRESSAVG: 4524200 -26.2055 -10.3591 -4.77699 -10.3592 34.201 -53.2649 -4.77699 -53.2648 -13.2171 GPRESSAVG: 4524200 -25.6996 -9.57116 -6.83406 -9.54438 34.2737 -52.8633 -5.51362 -53.9922 -13.2361 TIMING: 4524200 CPU: 13596.7, 0.00298847/step Wall: 13596.7, 0.00298847/step, 0.394976 hours remaining, 208.343750 MB of memory in use. ENERGY: 4524200 738.8670 2095.5759 1926.9401 110.3053 -206053.0420 17730.4623 0.0000 0.0000 34079.2193 -149371.6721 297.6223 -183450.8914 -149278.7449 298.0716 -79.8570 -43.9167 557015.2295 -1.7406 -1.5540 LDB: ============= START OF LOAD BALANCING ============== 13600.2 LDB: ============== END OF LOAD BALANCING =============== 13600.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13600.2 LDB: ============= START OF LOAD BALANCING ============== 13600.5 LDB: Largest compute 4820 load 0.025969 is 22.0% of average load 0.118051 LDB: Average compute 0.001740 is 1.5% of average load 0.118051 LDB: TIME 13600.5 LOAD: AVG 0.118051 MAX 0.212153 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.062 MB LDB: TIME 13600.5 LOAD: AVG 0.118051 MAX 0.212153 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.062 MB LDB: TIME 13600.5 LOAD: AVG 0.118051 MAX 0.212153 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.062 MB LDB: ============== END OF LOAD BALANCING =============== 13600.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13600.5 PRESSURE: 4524400 -325.922 -19.962 -24.2596 -19.9624 -239.006 -58.7437 -24.2613 -58.7446 -168.888 GPRESSURE: 4524400 -275.695 -83.7792 -33.4142 48.4317 -207.484 -57.9423 -10.6533 -37.4618 -155.399 PRESSAVG: 4524400 7.90716 -7.88826 -15.546 -7.88818 -33.1471 -38.4786 -15.546 -38.4786 72.1929 GPRESSAVG: 4524400 7.05858 -9.94732 -13.6681 -7.24095 -32.6134 -39.7966 -13.4724 -38.6204 72.4999 TIMING: 4524400 CPU: 13597.4, 0.00307343/step Wall: 13597.4, 0.00307343/step, 0.406034 hours remaining, 207.023438 MB of memory in use. ENERGY: 4524400 767.3987 2089.3933 1925.8674 102.7114 -205867.9986 17510.6751 0.0000 0.0000 33948.7622 -149523.1904 296.4830 -183471.9527 -149426.6904 298.1043 -244.6053 -212.8595 558244.3665 15.6510 15.6484 PRESSURE: 4524600 53.6534 219.055 64.2941 219.056 -68.4847 -88.3801 64.2937 -88.38 135.8 GPRESSURE: 4524600 114.288 282.238 97.1603 189.996 -32.0654 -78.3504 68.5176 -152.093 143.774 PRESSAVG: 4524600 19.9643 -34.1692 13.5735 -34.1692 -3.84258 15.8013 13.5736 15.8015 7.35616 GPRESSAVG: 4524600 21.586 -33.8094 12.3724 -35.035 -3.97514 18.2559 12.3436 16.8176 6.07776 TIMING: 4524600 CPU: 13598, 0.00302167/step Wall: 13598, 0.00302167/step, 0.399028 hours remaining, 207.023438 MB of memory in use. ENERGY: 4524600 788.3487 2108.1304 1923.8874 108.4452 -206411.6158 17952.6441 0.0000 0.0000 34124.7188 -149405.4413 298.0197 -183530.1600 -149312.6252 298.0034 40.3229 75.3323 556291.2456 7.8260 7.8962 PRESSURE: 4524800 211.339 -80.2399 9.22184 -80.2394 96.0982 -43.7835 9.22188 -43.7838 280.206 GPRESSURE: 4524800 213.247 -101.304 -60.3695 -117.104 156.872 -0.259401 35.8212 -38.8171 302.789 PRESSAVG: 4524800 -14.8681 27.3812 -3.76827 27.3813 5.41406 -13.9859 -3.76825 -13.9859 -3.69674 GPRESSAVG: 4524800 -15.2863 28.8858 -5.45987 28.6621 5.20329 -13.0222 -2.00114 -15.2265 -2.99192 TIMING: 4524800 CPU: 13598.6, 0.00303432/step Wall: 13598.6, 0.00303432/step, 0.40053 hours remaining, 207.023438 MB of memory in use. ENERGY: 4524800 738.2654 2050.1613 1937.0206 108.5035 -206553.5014 18004.0105 0.0000 0.0000 34188.2340 -149527.3061 298.5744 -183715.5401 -149436.3015 298.2651 195.8810 224.3030 554670.9320 -4.3836 -4.3583 PRESSURE: 4525000 -20.3843 15.3721 -219.2 15.3718 -159.531 -98.0414 -219.202 -98.0396 -78.9405 GPRESSURE: 4525000 41.1669 26.7686 -205.43 6.01519 -93.7253 -106.628 -202.899 -34.5931 -105.091 PRESSAVG: 4525000 74.5263 2.9048 -13.7693 2.90474 -92.8913 -4.01708 -13.7693 -4.01708 2.43079 GPRESSAVG: 4525000 72.9951 -0.0119518 -11.6147 1.62508 -93.7095 -8.0366 -13.6783 -2.45051 4.2467 TIMING: 4525000 CPU: 13599.2, 0.00303136/step Wall: 13599.2, 0.00303136/step, 0.399971 hours remaining, 207.023438 MB of memory in use. ENERGY: 4525000 755.1527 2100.4025 1915.6232 111.4795 -206528.0603 17940.9579 0.0000 0.0000 34258.9164 -149445.5281 299.1916 -183704.4445 -149347.0678 298.6758 -86.2854 -52.5500 557156.0504 -5.3114 -5.4892 PRESSURE: 4525200 -222.094 -96.2818 -45.42 -96.2829 -54.3633 -64.7868 -45.4189 -64.787 129.31 GPRESSURE: 4525200 -202.743 -138.849 29.5082 -29.4585 -19.7061 -118.429 -74.9311 -12.3558 178.979 PRESSAVG: 4525200 -16.7101 -5.05606 22.6941 -5.05606 -9.49123 -37.7329 22.6941 -37.7328 2.84352 GPRESSAVG: 4525200 -16.1703 -4.46262 22.6732 -4.12467 -8.33494 -37.6079 24.2202 -38.3827 1.338 TIMING: 4525200 CPU: 13599.8, 0.00301932/step Wall: 13599.8, 0.00301932/step, 0.398215 hours remaining, 207.023438 MB of memory in use. ENERGY: 4525200 740.4698 2143.2522 1934.9496 94.5255 -206294.8005 17719.0940 0.0000 0.0000 34181.0419 -149481.4675 298.5115 -183662.5094 -149389.7184 298.8988 -49.0494 -14.4903 556069.5997 -7.7859 -7.7224 PRESSURE: 4525400 263.591 14.4106 -102.632 14.4111 -132.242 -227.974 -102.632 -227.975 132.836 GPRESSURE: 4525400 292.039 27.7127 -152.178 75.5664 -98.1146 -209.474 -58.141 -206.679 175.678 PRESSAVG: 4525400 52.1936 -26.1427 -16.4649 -26.1427 -49.8472 21.7838 -16.4649 21.7838 9.1836 GPRESSAVG: 4525400 52.0932 -24.7107 -16.2478 -25.5342 -49.7299 23.5567 -17.162 19.0848 8.8878 TIMING: 4525400 CPU: 13600.4, 0.0030305/step Wall: 13600.4, 0.0030305/step, 0.399521 hours remaining, 207.023438 MB of memory in use. ENERGY: 4525400 724.0669 2116.8445 1928.4218 118.0132 -206575.3882 17917.7457 0.0000 0.0000 34176.3574 -149593.9386 298.4706 -183770.2960 -149495.8599 298.7696 88.0615 123.2007 555666.2868 3.8433 3.7504 PRESSURE: 4525600 -84.4488 72.9496 -15.9329 72.9508 -31.1567 9.48557 -15.933 9.48633 221.973 GPRESSURE: 4525600 7.34636 72.9257 -84.6458 92.792 -79.8674 -31.417 -55.5614 48.3092 276.401 PRESSAVG: 4525600 -25.5304 34.0499 18.1398 34.0499 -6.72215 -3.95027 18.1399 -3.95029 0.286432 GPRESSAVG: 4525600 -24.5108 31.8676 17.3883 34.7326 -6.88473 -3.55033 16.5866 -2.17624 -0.138902 TIMING: 4525600 CPU: 13601, 0.00302485/step Wall: 13601, 0.00302485/step, 0.398608 hours remaining, 207.023438 MB of memory in use. ENERGY: 4525600 725.8579 2135.9269 1911.9105 114.6391 -206413.2053 17824.4841 0.0000 0.0000 34223.3888 -149476.9982 298.8814 -183700.3869 -149387.4830 297.9931 35.4560 67.9601 557512.2389 -10.6554 -10.5115 PRESSURE: 4525800 -244.043 -91.2488 -58.4724 -91.2498 -109.236 178.512 -58.4729 178.511 -185.145 GPRESSURE: 4525800 -131.248 -73.0668 -11.6843 -60.791 -111.569 180.15 -71.1352 140.995 -194.469 PRESSAVG: 4525800 13.9857 24.7481 -8.95816 24.7481 -41.8685 49.382 -8.95824 49.382 19.735 GPRESSAVG: 4525800 13.3207 26.6335 -6.966 22.8589 -42.5033 50.5646 -8.13344 48.4776 20.9732 TIMING: 4525800 CPU: 13601.6, 0.00302548/step Wall: 13601.6, 0.00302548/step, 0.398522 hours remaining, 207.023438 MB of memory in use. ENERGY: 4525800 752.4070 2083.7969 1962.1058 111.0297 -206458.8666 17795.9317 0.0000 0.0000 34237.7593 -149515.8363 299.0069 -183753.5956 -149417.5133 298.5689 -179.4743 -145.7620 557597.4558 -2.7159 -2.7365 PRESSURE: 4526000 34.5967 20.8904 22.3306 20.8911 93.1578 -17.8681 22.329 -17.8683 4.76008 GPRESSURE: 4526000 10.4617 66.9979 -19.2001 103.556 125.253 37.835 -24.4686 2.3809 95.4766 PRESSAVG: 4526000 -48.1894 41.123 -14.3763 41.1231 10.4798 20.3432 -14.3763 20.3432 46.1131 GPRESSAVG: 4526000 -49.29 38.9735 -16.3654 43.646 11.3198 20.2067 -14.1579 19.5978 45.9774 TIMING: 4526000 CPU: 13602.2, 0.00304251/step Wall: 13602.2, 0.00304251/step, 0.400597 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: 4526000 757.5908 2049.5532 1973.2550 109.4088 -206708.8530 18147.4434 0.0000 0.0000 34024.2454 -149647.3563 297.1422 -183671.6018 -149548.3854 298.4362 44.1715 77.0637 557463.8624 2.8012 2.6691 PRESSURE: 4526200 307.898 -124.229 -4.01954 -124.228 88.9691 -176.152 -4.01934 -176.152 34.7861 GPRESSURE: 4526200 365.779 -122.371 -110.525 -148.041 111.451 -159.812 62.3797 -133.881 61.9448 PRESSAVG: 4526200 -45.3056 19.6851 -13.6716 19.6851 75.6072 -9.63093 -13.6718 -9.63082 29.0322 GPRESSAVG: 4526200 -44.2185 22.2944 -13.8186 15.2633 74.8916 -11.1817 -15.9477 -7.84718 29.1015 TIMING: 4526200 CPU: 13602.8, 0.00304152/step Wall: 13602.8, 0.00304152/step, 0.400298 hours remaining, 207.023438 MB of memory in use. ENERGY: 4526200 731.7001 2091.1084 1926.5071 120.4001 -206655.6920 18039.7401 0.0000 0.0000 33992.7460 -149753.4902 296.8671 -183746.2362 -149661.5805 297.7884 143.8845 179.7249 557085.1805 19.7779 19.9249 PRESSURE: 4526400 -283.768 52.8216 88.0176 52.8214 -128.539 21.1243 88.0175 21.1266 -131.162 GPRESSURE: 4526400 -217.126 82.6514 68.924 -35.9007 -122.865 -67.6314 38.7859 -30.0478 -106.237 PRESSAVG: 4526400 7.71877 8.15 20.2199 8.14995 22.654 -7.65244 20.2198 -7.65241 -54.0016 GPRESSAVG: 4526400 8.18441 6.33089 20.4505 9.7112 22.3139 -7.0982 23.0788 -8.95169 -53.8168 TIMING: 4526400 CPU: 13603.4, 0.00303199/step Wall: 13603.4, 0.00303199/step, 0.398875 hours remaining, 207.023438 MB of memory in use. ENERGY: 4526400 718.9406 2063.5769 1938.2640 113.3322 -206309.1766 17574.8916 0.0000 0.0000 34110.1381 -149790.0331 297.8923 -183900.1713 -149692.1585 296.8025 -181.1563 -148.7426 558018.8112 -7.8763 -7.7729 PRESSURE: 4526600 -20.8105 -9.60139 -46.4766 -9.59879 57.2514 -91.7077 -46.4758 -91.7079 -106.21 GPRESSURE: 4526600 55.0124 -150.732 5.98687 60.8066 98.9118 -90.9045 -43.0857 -102.84 -112.81 PRESSAVG: 4526600 66.8149 -60.085 -9.45393 -60.0851 3.88366 -2.85194 -9.45388 -2.852 -90.6997 GPRESSAVG: 4526600 67.3289 -61.4049 -7.99707 -59.6605 3.44679 -4.65592 -11.2236 -1.58391 -90.9495 TIMING: 4526600 CPU: 13604, 0.00302806/step Wall: 13604, 0.00302806/step, 0.398189 hours remaining, 207.023438 MB of memory in use. ENERGY: 4526600 739.9551 2126.5364 1908.3652 106.2006 -206762.0504 17988.1026 0.0000 0.0000 34083.2857 -149809.6049 297.6578 -183892.8906 -149725.5961 297.5752 -23.2563 13.7048 556568.2187 -6.6670 -6.7246 PRESSURE: 4526800 -27.753 11.7959 -55.4149 11.7953 86.3834 -0.158817 -55.4139 -0.159753 132.175 GPRESSURE: 4526800 66.1262 22.6162 12.7413 -67.5719 111.324 -42.8416 -110.261 11.6451 110.729 PRESSAVG: 4526800 60.543 -68.6876 -30.9334 -68.6876 -17.1563 -6.78016 -30.9333 -6.7803 -20.9077 GPRESSAVG: 4526800 59.4913 -69.6091 -30.6651 -67.3685 -15.2758 -3.60806 -31.9297 -7.58168 -21.131 TIMING: 4526800 CPU: 13604.6, 0.00299809/step Wall: 13604.6, 0.00299809/step, 0.394082 hours remaining, 207.023438 MB of memory in use. ENERGY: 4526800 775.7228 2069.3641 1961.0880 120.5712 -206638.1179 18087.3967 0.0000 0.0000 33977.2253 -149646.7498 296.7316 -183623.9751 -149560.9352 297.8674 63.6019 96.0595 558547.5103 7.4930 7.6949 PRESSURE: 4527000 -85.5604 21.2125 -142.37 21.2127 -133.357 14.4638 -142.371 14.4625 10.0958 GPRESSURE: 4527000 -77.9297 -3.8075 -169.834 97.647 -80.5828 38.7575 -130.951 -64.3343 41.7241 PRESSAVG: 4527000 41.0141 -40.0502 -33.7891 -40.0503 -11.3946 -32.653 -33.7891 -32.6528 -22.9668 GPRESSAVG: 4527000 41.2639 -38.7003 -33.5987 -39.5579 -11.8681 -34.5638 -33.7354 -29.6444 -22.865 TIMING: 4527000 CPU: 13605.2, 0.00302875/step Wall: 13605.2, 0.00302875/step, 0.397943 hours remaining, 207.023438 MB of memory in use. ENERGY: 4527000 752.1836 2039.2720 1948.9528 109.6131 -206197.4008 17812.3625 0.0000 0.0000 33924.8088 -149610.2081 296.2738 -183535.0169 -149516.9040 297.5697 -69.6071 -38.9295 558046.3145 2.2176 2.1769 PRESSURE: 4527200 -38.5283 -35.4567 -97.0901 -35.4574 -121.339 -21.0942 -97.0908 -21.095 17.4475 GPRESSURE: 4527200 95.3896 34.4262 -126.078 -130.643 -184.896 5.81794 -98.5617 -14.3238 58.9851 PRESSAVG: 4527200 34.5439 -35.2583 -62.6641 -35.2583 -28.5985 -22.9444 -62.6642 -22.9444 36.3032 GPRESSAVG: 4527200 34.3019 -34.6983 -65.9709 -38.0427 -27.9469 -23.7495 -61.1572 -23.5456 35.924 TIMING: 4527200 CPU: 13605.8, 0.00302238/step Wall: 13605.8, 0.00302238/step, 0.396939 hours remaining, 207.023438 MB of memory in use. ENERGY: 4527200 739.5095 2004.8601 1935.3417 125.6479 -206277.6502 17571.8449 0.0000 0.0000 34400.6047 -149499.8414 300.4290 -183900.4461 -149408.3780 298.0878 -47.4733 -10.1739 556573.3939 14.0829 14.0930 PRESSURE: 4527400 116.058 74.7906 182.265 74.7909 -191.139 -79.8874 182.267 -79.8877 -101.083 GPRESSURE: 4527400 111.244 14.0726 251.262 -10.2905 -139.747 -89.3052 200.276 -16.9219 -41.2466 PRESSAVG: 4527400 -16.1025 -35.4074 -6.67764 -35.4074 3.17666 -11.901 -6.67764 -11.9011 -24.917 GPRESSAVG: 4527400 -16.3133 -33.7363 -4.28559 -35.2148 3.01638 -10.9985 -5.82243 -12.8096 -24.7849 TIMING: 4527400 CPU: 13606.4, 0.00301811/step Wall: 13606.4, 0.00301811/step, 0.396211 hours remaining, 207.023438 MB of memory in use. ENERGY: 4527400 764.3036 2055.0341 1920.3416 92.7730 -206234.2472 17742.0001 0.0000 0.0000 34269.7423 -149390.0525 299.2862 -183659.7948 -149296.7118 299.1735 -58.7213 -23.2497 556892.2812 -12.6143 -12.6940 PRESSURE: 4527600 -263.297 108.195 -87.3927 108.193 -141.796 17.074 -87.3924 17.0736 -101.418 GPRESSURE: 4527600 -212.976 88.7081 -29.8631 112.632 -150.022 19.5457 -68.5772 38.4369 -43.2123 PRESSAVG: 4527600 46.772 -18.9653 -11.5916 -18.9653 -70.9844 -2.30841 -11.5916 -2.30843 -2.62559 GPRESSAVG: 4527600 47.5309 -19.7647 -9.6691 -20.1751 -71.9181 -1.11538 -12.9449 -3.76277 -2.13219 TIMING: 4527600 CPU: 13607, 0.00303139/step Wall: 13607, 0.00303139/step, 0.397785 hours remaining, 207.023438 MB of memory in use. ENERGY: 4527600 742.3909 2088.8236 1966.4858 126.4395 -205888.6193 17461.1906 0.0000 0.0000 34244.1521 -149259.1368 299.0627 -183503.2889 -149166.8113 299.0764 -168.8368 -135.4032 557274.5150 -8.9460 -8.8398 PRESSURE: 4527800 -71.3859 -3.48095 -85.568 -3.47991 -142.499 -31.8195 -85.5688 -31.8206 -315.235 GPRESSURE: 4527800 -62.1623 -5.52212 -59.7983 49.2916 -88.607 90.2398 18.3664 -159.208 -267.65 PRESSAVG: 4527800 -6.16624 6.32413 -3.73836 6.3241 19.6096 -21.0342 -3.73834 -21.0342 -45.2352 GPRESSAVG: 4527800 -6.71386 7.23134 -5.67589 7.59953 20.2942 -20.9045 -1.08292 -22.5191 -45.6706 TIMING: 4527800 CPU: 13607.7, 0.00304444/step Wall: 13607.7, 0.00304444/step, 0.399329 hours remaining, 207.023438 MB of memory in use. ENERGY: 4527800 767.8676 2061.2002 1963.5350 117.3251 -205876.7674 17599.2241 0.0000 0.0000 34009.2080 -149358.4073 297.0109 -183367.6154 -149263.2930 298.8798 -176.3734 -139.4730 558342.5413 -10.5973 -10.6968 PRESSURE: 4528000 -264.501 -44.8527 -88.8649 -44.8541 9.41189 68.8121 -88.8656 68.8111 -35.2873 GPRESSURE: 4528000 -220.809 -61.8035 -16.817 17.9227 39.1034 92.3531 -112.232 62.1086 13.131 PRESSAVG: 4528000 -9.40168 -34.0739 -85.6478 -34.0739 19.0407 -14.1446 -85.6477 -14.1447 42.6327 GPRESSAVG: 4528000 -10.2719 -37.0356 -85.1178 -32.886 20.9149 -12.5291 -88.1235 -10.9411 42.6393 TIMING: 4528000 CPU: 13608.3, 0.0030291/step Wall: 13608.3, 0.0030291/step, 0.397148 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: 4528000 741.7823 2042.0171 1932.1133 102.7728 -205865.8801 17611.6382 0.0000 0.0000 34072.4672 -149363.0893 297.5633 -183435.5564 -149268.7050 298.7192 -96.7923 -56.1916 557385.7220 17.4239 17.7608 PRESSURE: 4528200 -135.649 176.236 159.12 176.235 -330.73 38.7297 159.118 38.7313 -94.5065 GPRESSURE: 4528200 -174.555 132.489 112.391 246.617 -269.874 26.8159 188.949 75.5715 -18.3297 PRESSAVG: 4528200 -28.6819 -9.92867 -28.4922 -9.92873 0.0669299 16.0189 -28.4922 16.0189 14.585 GPRESSAVG: 4528200 -28.2332 -7.98004 -29.6288 -10.0291 -1.39018 14.5655 -26.6005 15.6486 15.39 TIMING: 4528200 CPU: 13608.9, 0.00302818/step Wall: 13608.9, 0.00302818/step, 0.39686 hours remaining, 207.023438 MB of memory in use. ENERGY: 4528200 739.6988 2050.5854 1942.0300 112.1222 -205747.1385 17366.7996 0.0000 0.0000 34135.0857 -149400.8168 298.1102 -183535.9025 -149307.3061 298.8478 -186.9618 -154.2530 556824.9558 -4.6767 -4.7444 LDB: ============= START OF LOAD BALANCING ============== 13612.3 LDB: ============== END OF LOAD BALANCING =============== 13612.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13612.3 LDB: ============= START OF LOAD BALANCING ============== 13612.6 LDB: Largest compute 4820 load 0.025770 is 21.8% of average load 0.118102 LDB: Average compute 0.001740 is 1.5% of average load 0.118102 LDB: TIME 13612.6 LOAD: AVG 0.118102 MAX 0.211984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.281 MB LDB: TIME 13612.6 LOAD: AVG 0.118102 MAX 0.211984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: TIME 13612.6 LOAD: AVG 0.118102 MAX 0.211984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.285 MB LDB: ============== END OF LOAD BALANCING =============== 13612.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13612.6 PRESSURE: 4528400 -66.0189 15.1129 1.42972 15.1128 29.961 108.746 1.42891 108.746 -83.702 GPRESSURE: 4528400 -74.5991 35.9269 12.6407 -58.2404 58.7429 128.759 45.0114 57.9198 -17.5577 PRESSAVG: 4528400 -59.1228 26.4004 -2.32741 26.4003 15.0525 -33.5646 -2.32735 -33.5646 41.3801 GPRESSAVG: 4528400 -57.6661 23.8481 -0.145214 26.258 13.5878 -33.5502 -4.76279 -33.8944 42.0732 TIMING: 4528400 CPU: 13609.5, 0.00307042/step Wall: 13609.5, 0.00307042/step, 0.402225 hours remaining, 206.699219 MB of memory in use. ENERGY: 4528400 731.6579 2073.8000 1944.8898 109.6791 -206091.3288 17638.5688 0.0000 0.0000 34224.1480 -149368.5852 298.8880 -183592.7332 -149271.8481 298.6722 -39.9200 -11.1380 556746.5211 -0.8968 -0.6684 PRESSURE: 4528600 -41.6512 257.048 -5.34142 257.048 33.1655 4.44015 -5.34113 4.44189 135.126 GPRESSURE: 4528600 3.17424 175.375 -10.7535 359.312 60.9402 22.563 -88.821 -27.2215 147.968 PRESSAVG: 4528600 -36.8034 -2.09209 -78.3746 -2.09219 6.46991 -61.1833 -78.3746 -61.1833 56.0478 GPRESSAVG: 4528600 -37.3175 0.300011 -79.0778 -2.82315 8.77774 -64.407 -76.7994 -59.2547 54.5295 TIMING: 4528600 CPU: 13610.1, 0.00301535/step Wall: 13610.1, 0.00301535/step, 0.394843 hours remaining, 206.699219 MB of memory in use. ENERGY: 4528600 768.7643 2093.7474 1947.5134 103.7448 -206393.8093 17893.6847 0.0000 0.0000 34307.2529 -149279.1018 299.6138 -183586.3547 -149176.7469 298.8010 42.2136 70.6941 555975.8290 8.5714 8.6633 PRESSURE: 4528800 -182.381 88.8387 219.578 88.8362 121.39 -100.321 219.578 -100.321 176.88 GPRESSURE: 4528800 -179.937 101.474 198.591 110.805 140.146 10.6626 200.739 -142.37 252.46 PRESSAVG: 4528800 -65.0535 -50.3721 25.3008 -50.3721 18.3973 -36.4326 25.3009 -36.4327 48.2729 GPRESSAVG: 4528800 -65.0915 -49.9702 24.647 -50.5679 16.4629 -33.1054 23.8327 -38.0919 50.5593 TIMING: 4528800 CPU: 13610.7, 0.00303119/step Wall: 13610.7, 0.00303119/step, 0.396749 hours remaining, 206.699219 MB of memory in use. ENERGY: 4528800 695.3994 2076.2620 1928.9219 108.9382 -205961.9799 17551.4952 0.0000 0.0000 34370.0338 -149230.9294 300.1621 -183600.9632 -149137.3306 299.1151 38.6298 70.8897 554824.9457 0.5389 0.6436 PRESSURE: 4529000 87.4037 30.2705 -0.777813 30.2702 -35.0503 43.1619 -0.777644 43.1594 185.87 GPRESSURE: 4529000 191.794 -5.40528 87.8712 128.496 -31.4366 94.835 8.77071 35.1352 180.47 PRESSAVG: 4529000 -46.1942 -14.6248 66.886 -14.6247 64.5469 4.3208 66.886 4.32084 6.16658 GPRESSAVG: 4529000 -45.3504 -15.4463 67.1373 -13.7884 65.1604 0.880964 66.742 4.8486 4.04952 TIMING: 4529000 CPU: 13611.3, 0.00303713/step Wall: 13611.3, 0.00303713/step, 0.397358 hours remaining, 206.699219 MB of memory in use. ENERGY: 4529000 725.7490 2102.9637 1929.1620 126.9147 -206191.0066 17802.1207 0.0000 0.0000 34211.3357 -149292.7606 298.7761 -183504.0964 -149201.1328 299.0040 79.4079 113.6094 554766.6967 8.1731 7.9532 PRESSURE: 4529200 252.485 51.7304 -30.9125 51.7294 81.2428 -11.0744 -30.9125 -11.0749 134.666 GPRESSURE: 4529200 263.03 9.12061 -103.148 35.5456 142.239 -24.503 -80.0434 -48.7339 149.278 PRESSAVG: 4529200 -12.4835 11.5225 10.2488 11.5225 19.4148 2.56037 10.2488 2.56044 -0.14076 GPRESSAVG: 4529200 -12.8924 12.2773 8.38866 11.4222 19.8803 5.23706 10.3175 3.28202 -0.187296 TIMING: 4529200 CPU: 13611.9, 0.00305135/step Wall: 13611.9, 0.00305135/step, 0.399048 hours remaining, 206.699219 MB of memory in use. ENERGY: 4529200 768.2698 2068.2555 1905.3589 108.4681 -206081.2469 17837.8291 0.0000 0.0000 33991.3942 -149401.6713 296.8553 -183393.0654 -149312.7937 298.3646 156.1312 184.8491 554683.7602 2.2635 2.2669 PRESSURE: 4529400 -212.01 -15.6818 119.099 -15.6818 109.208 -110.144 119.101 -110.143 -126.243 GPRESSURE: 4529400 -165.785 -14.703 142.474 4.16799 99.7318 -148.882 141.597 -121.181 -68.6658 PRESSAVG: 4529400 -26.3844 2.77613 52.3658 2.77618 10.5537 -22.4949 52.3658 -22.4949 31.6431 GPRESSAVG: 4529400 -25.2829 3.05107 53.5248 1.10539 10.7516 -22.6455 53.4529 -23.6755 30.318 TIMING: 4529400 CPU: 13612.5, 0.00306383/step Wall: 13612.5, 0.00306383/step, 0.400511 hours remaining, 206.699219 MB of memory in use. ENERGY: 4529400 759.7709 2040.1111 1946.5699 119.9216 -205754.0334 17471.8140 0.0000 0.0000 34071.3682 -149344.4776 297.5537 -183415.8458 -149243.4876 298.5663 -76.3483 -44.9064 555259.3616 5.2708 5.2622 PRESSURE: 4529600 -36.0674 -48.8972 -169.187 -48.8969 -171.925 -87.867 -169.187 -87.8674 112.872 GPRESSURE: 4529600 -0.677595 -56.3006 -122.538 -45.8395 -112.721 -116.299 -109.519 -81.4553 119.66 PRESSAVG: 4529600 -74.8205 -22.9576 55.5895 -22.9577 20.1773 21.7327 55.5895 21.7327 47.4656 GPRESSAVG: 4529600 -74.2942 -25.9544 56.7051 -21.6466 19.3868 23.4683 55.9928 19.4214 47.9357 TIMING: 4529600 CPU: 13613.1, 0.003052/step Wall: 13613.1, 0.003052/step, 0.398795 hours remaining, 206.699219 MB of memory in use. ENERGY: 4529600 735.6565 2021.3453 1938.1775 115.7452 -205852.3128 17600.2040 0.0000 0.0000 34179.6140 -149261.5702 298.4991 -183441.1842 -149168.7099 299.4932 -31.7071 2.0872 557116.5535 -2.3925 -2.3239 PRESSURE: 4529800 -75.2994 111.059 60.6046 111.059 56.962 -48.0127 60.6024 -48.0131 -86.3546 GPRESSURE: 4529800 -10.013 1.82565 49.1712 213.407 82.0332 33.3327 183.626 -72.6685 -80.61 PRESSAVG: 4529800 -69.4863 9.78516 -24.5249 9.78516 15.3325 -42.4028 -24.525 -42.4027 -22.0361 GPRESSAVG: 4529800 -70.4359 11.0962 -26.6473 8.37503 14.4667 -44.3388 -25.5514 -39.6998 -20.4531 TIMING: 4529800 CPU: 13613.7, 0.0030663/step Wall: 13613.7, 0.0030663/step, 0.400492 hours remaining, 206.699219 MB of memory in use. ENERGY: 4529800 751.9787 2070.0402 1952.1665 98.6035 -205942.5575 17554.5231 0.0000 0.0000 34272.4039 -149242.8417 299.3094 -183515.2455 -149141.5499 299.2602 -34.8973 -2.8633 556394.8686 -25.3966 -25.4741 PRESSURE: 4530000 -143.066 36.1168 -117.513 36.116 25.565 9.34179 -117.514 9.34218 -41.1742 GPRESSURE: 4530000 -92.7356 58.1675 -149.928 60.5763 60.5161 52.3004 -33.1266 69.8768 -32.8587 PRESSAVG: 4530000 -55.1705 -17.4365 -34.1452 -17.4366 -62.6723 15.5901 -34.1453 15.5901 77.3159 GPRESSAVG: 4530000 -55.1128 -14.803 -35.0213 -19.052 -62.834 14.9415 -32.7352 15.9842 77.3744 TIMING: 4530000 CPU: 13614.4, 0.00305012/step Wall: 13614.4, 0.00305012/step, 0.39821 hours remaining, 206.699219 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: 4530000 770.1217 2066.8186 1928.7249 120.2063 -206088.9564 17732.4900 0.0000 0.0000 34241.4524 -149229.1426 299.0391 -183470.5950 -149140.7238 299.4499 -52.8918 -21.6927 557101.3811 -13.5090 -13.5241 PRESSURE: 4530200 132.846 34.7423 6.07134 34.7423 -77.9796 -11.9706 6.07086 -11.9707 84.9723 GPRESSURE: 4530200 145.66 -61.7124 79.4338 14.3969 -47.5951 -115.337 -53.9425 15.0736 138.381 PRESSAVG: 4530200 -22.5076 65.7348 -16.4111 65.7349 -29.5328 55.6164 -16.4111 55.6164 68.0078 GPRESSAVG: 4530200 -22.8928 62.0867 -14.3678 68.4777 -29.1273 56.8853 -17.6247 53.5507 68.6254 TIMING: 4530200 CPU: 13615, 0.00305279/step Wall: 13615, 0.00305279/step, 0.398389 hours remaining, 206.699219 MB of memory in use. ENERGY: 4530200 731.9614 2101.1134 1942.1544 100.3718 -206357.3990 17920.4170 0.0000 0.0000 34397.6603 -149163.7206 300.4033 -183561.3809 -149066.9120 299.2420 46.6129 78.8156 555947.2316 5.3225 5.5351 PRESSURE: 4530400 -45.5826 8.50654 115.619 8.50566 20.9877 120.709 115.618 120.708 -252.89 GPRESSURE: 4530400 -40.6954 36.1299 109.663 112.735 75.4237 41.6251 88.6354 212.91 -217.498 PRESSAVG: 4530400 -11.4379 35.5288 -4.72545 35.5288 -0.295354 6.74977 -4.72549 6.74967 20.6622 GPRESSAVG: 4530400 -11.4135 37.2704 -6.36572 35.0519 0.966587 4.31345 -4.34346 7.96596 19.376 TIMING: 4530400 CPU: 13615.6, 0.00303573/step Wall: 13615.6, 0.00303573/step, 0.395994 hours remaining, 206.699219 MB of memory in use. ENERGY: 4530400 800.0484 2149.3271 1916.5603 107.9940 -206295.5846 17799.6530 0.0000 0.0000 34377.0648 -149144.9370 300.2235 -183522.0018 -149049.0956 299.9707 -92.4948 -60.9231 558063.4653 2.9763 2.9763 PRESSURE: 4530600 66.619 -31.5564 86.6184 -31.5556 -330.909 -16.2802 86.6193 -16.2789 -246.38 GPRESSURE: 4530600 106.807 -84.9841 188.83 26.4861 -323.83 78.6245 36.1677 -42.09 -199.206 PRESSAVG: 4530600 -10.856 4.58306 57.328 4.58307 -45.4573 14.3497 57.3281 14.3498 30.739 GPRESSAVG: 4530600 -11.4739 6.24867 59.5583 3.75933 -45.4925 17.2308 56.6372 12.7709 30.9753 TIMING: 4530600 CPU: 13616.2, 0.00305556/step Wall: 13616.2, 0.00305556/step, 0.398411 hours remaining, 206.699219 MB of memory in use. ENERGY: 4530600 756.3327 2076.2033 1936.4152 104.8792 -205700.0010 17519.6965 0.0000 0.0000 34118.6795 -149187.7946 297.9669 -183306.4741 -149095.1959 299.5447 -170.2235 -138.7433 556655.7908 -8.5248 -8.6637 PRESSURE: 4530800 -58.25 205.566 37.7191 205.566 -36.0491 -21.6148 37.7196 -21.6153 -162.142 GPRESSURE: 4530800 -62.8223 175.815 16.4365 229.416 19.795 -77.9762 43.0601 86.5673 -103.048 PRESSAVG: 4530800 5.33671 13.1164 53.6666 13.1163 -56.5855 4.02308 53.6667 4.02292 44.6701 GPRESSAVG: 4530800 5.40416 9.24815 52.4488 14.6732 -55.8383 3.69093 55.9272 4.36073 44.1585 TIMING: 4530800 CPU: 13616.8, 0.00302659/step Wall: 13616.8, 0.00302659/step, 0.394466 hours remaining, 206.699219 MB of memory in use. ENERGY: 4530800 751.8767 2089.3870 1964.7247 117.0230 -206146.0523 17670.2720 0.0000 0.0000 34338.8612 -149213.9077 299.8898 -183552.7689 -149115.2787 299.5191 -85.4802 -48.6918 556019.5076 -2.1929 -2.0919 PRESSURE: 4531000 -326.033 25.8331 2.28956 25.8323 -263.466 73.0577 2.28951 73.0573 -331.522 GPRESSURE: 4531000 -319.851 65.793 -30.9957 10.1227 -264.054 99.0219 12.3735 49.6657 -246.768 PRESSAVG: 4531000 22.8409 46.3894 24.7834 46.3894 67.0576 -29.2241 24.7832 -29.2241 -43.4389 GPRESSAVG: 4531000 22.5876 48.4499 26.1885 45.859 65.5092 -29.5959 22.1773 -29.0508 -41.231 TIMING: 4531000 CPU: 13617.4, 0.00303283/step Wall: 13617.4, 0.00303283/step, 0.39511 hours remaining, 206.699219 MB of memory in use. ENERGY: 4531000 744.4213 2105.3417 1985.8623 120.5981 -205918.3203 17468.4223 0.0000 0.0000 34092.8984 -149400.7762 297.7418 -183493.6746 -149303.1747 298.8467 -307.0069 -276.8910 559236.9727 15.4865 15.6220 PRESSURE: 4531200 -99.2413 -96.3729 -48.3172 -96.3718 -254.491 -45.1802 -48.3158 -45.1817 -305.493 GPRESSURE: 4531200 -31.497 -120.076 -24.4427 -6.37609 -189.683 24.2899 83.0835 -126.09 -334.002 PRESSAVG: 4531200 -31.5528 -62.8282 74.5995 -62.8281 5.9172 0.505219 74.5994 0.505217 15.6947 GPRESSAVG: 4531200 -30.4023 -62.3486 73.1963 -61.2392 5.5524 1.53442 77.1063 -0.328304 14.5044 TIMING: 4531200 CPU: 13618, 0.00305331/step Wall: 13618, 0.00305331/step, 0.397609 hours remaining, 206.699219 MB of memory in use. ENERGY: 4531200 761.1545 2153.9059 1960.0574 116.6160 -205701.2341 17283.2642 0.0000 0.0000 34160.2909 -149265.9452 298.3303 -183426.2361 -149178.5407 298.8481 -219.7417 -185.0609 558276.9288 -3.3137 -3.4485 PRESSURE: 4531400 116.116 125.2 54.2293 125.2 -64.9964 -228.225 54.2292 -228.225 150.823 GPRESSURE: 4531400 74.5551 72.81 79.3514 140.483 40.8792 -242.822 129.957 -183.135 189.161 PRESSAVG: 4531400 24.3267 -5.26862 38.4505 -5.26867 31.6489 21.7927 38.4505 21.7926 -46.2805 GPRESSAVG: 4531400 24.2685 -6.02911 39.7865 -6.60808 32.7748 21.1987 37.1104 23.3072 -47.2453 TIMING: 4531400 CPU: 13618.6, 0.00303649/step Wall: 13618.6, 0.00303649/step, 0.39525 hours remaining, 206.699219 MB of memory in use. ENERGY: 4531400 714.8021 2151.6904 1912.0971 113.0195 -206470.7360 18013.0438 0.0000 0.0000 34188.2402 -149377.8429 298.5744 -183566.0831 -149277.5847 299.1114 67.3140 101.5319 557814.7501 3.2317 3.2660 PRESSURE: 4531600 -124.701 -7.43445 -97.1375 -7.43514 -199.79 -3.55404 -97.137 -3.55309 -59.2284 GPRESSURE: 4531600 -107.559 10.9964 -32.465 -26.9955 -191.668 11.9045 -105.915 -90.6099 1.05395 PRESSAVG: 4531600 -14.7897 2.75484 93.5314 2.75491 52.8695 -27.6122 93.5315 -27.6122 -37.0325 GPRESSAVG: 4531600 -14.3718 3.16351 93.2941 2.3743 52.4261 -27.602 93.6271 -27.1675 -37.0287 TIMING: 4531600 CPU: 13619.2, 0.00304397/step Wall: 13619.2, 0.00304397/step, 0.396054 hours remaining, 206.699219 MB of memory in use. ENERGY: 4531600 748.7459 2104.5186 1927.5138 118.3924 -206074.4972 17738.4839 0.0000 0.0000 34142.5342 -149294.3084 298.1752 -183436.8426 -149192.0846 299.6544 -127.9063 -99.3911 558701.7234 0.3491 0.3419 PRESSURE: 4531800 -198.717 64.2835 -0.980113 64.2836 -94.6124 30.7808 -0.981224 30.7812 96.2937 GPRESSURE: 4531800 -149.423 -23.7193 -17.1695 118.943 -43.5134 79.8568 -13.1252 28.1508 101.2 PRESSAVG: 4531800 -21.4856 -3.73198 65.9917 -3.73195 -1.35797 11.2529 65.9916 11.2529 -20.6802 GPRESSAVG: 4531800 -22.2418 -3.84282 65.0598 -4.34703 -1.67723 11.071 64.9396 10.6193 -19.7483 TIMING: 4531800 CPU: 13619.8, 0.00305601/step Wall: 13619.8, 0.00305601/step, 0.397451 hours remaining, 206.699219 MB of memory in use. ENERGY: 4531800 739.1410 2094.2069 1923.6243 116.5017 -205856.9166 17801.9840 0.0000 0.0000 34116.4220 -149065.0367 297.9472 -183181.4587 -148974.8162 299.0362 -65.6787 -30.5787 558912.3823 -14.5079 -14.5558 PRESSURE: 4532000 34.0067 -36.3394 72.4232 -36.338 -86.7503 36.0658 72.4231 36.0661 233.945 GPRESSURE: 4532000 48.3369 -32.3491 34.7298 -66.7023 -51.6527 43.3654 30.6846 -28.8071 284.233 PRESSAVG: 4532000 -22.7006 -31.904 21.3604 -31.904 -14.5542 14.4736 21.3605 14.4736 27.5829 GPRESSAVG: 4532000 -21.5864 -32.2752 22.9996 -32.216 -15.205 13.8337 21.2969 16.1517 27.231 TIMING: 4532000 CPU: 13620.4, 0.00303165/step Wall: 13620.4, 0.00303165/step, 0.394114 hours remaining, 206.699219 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: 4532000 777.2763 2098.8245 1942.0354 136.6878 -206347.1803 18013.3745 0.0000 0.0000 34363.6473 -149015.3344 300.1063 -183378.9817 -148919.8816 299.8798 60.4004 93.6390 557694.3835 -3.2240 -3.1868 PRESSURE: 4532200 -101.337 100.726 -257.646 100.726 -133.213 144.493 -257.646 144.493 -285.878 GPRESSURE: 4532200 -17.2055 152.345 -356.256 67.9289 -77.7016 201.022 -196.362 121.802 -333.536 PRESSAVG: 4532200 -11.861 -4.5713 23.337 -4.57132 -17.0053 0.500586 23.337 0.5005 27.8653 GPRESSAVG: 4532200 -12.5454 -5.56549 21.4898 -3.09514 -16.8763 -0.268718 26.8619 -0.484846 27.8984 TIMING: 4532200 CPU: 13621, 0.00305699/step Wall: 13621, 0.00305699/step, 0.397238 hours remaining, 206.699219 MB of memory in use. ENERGY: 4532200 725.8752 2081.2327 1938.6871 122.8607 -205419.6962 17376.4447 0.0000 0.0000 34241.7915 -148932.8044 299.0421 -183174.5959 -148842.7111 299.4865 -173.4759 -142.8145 558828.8508 -0.3337 -0.5078 LDB: ============= START OF LOAD BALANCING ============== 13624.5 LDB: ============== END OF LOAD BALANCING =============== 13624.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13624.5 LDB: ============= START OF LOAD BALANCING ============== 13624.8 LDB: Largest compute 4820 load 0.027375 is 23.2% of average load 0.118142 LDB: Average compute 0.001746 is 1.5% of average load 0.118142 LDB: TIME 13624.8 LOAD: AVG 0.118142 MAX 0.217278 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.984 MB LDB: TIME 13624.8 LOAD: AVG 0.118142 MAX 0.217278 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.984 MB LDB: TIME 13624.8 LOAD: AVG 0.118142 MAX 0.217278 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13624.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13624.8 PRESSURE: 4532400 -93.0592 -16.8984 113.325 -16.8989 46.4873 114.609 113.325 114.609 -244.324 GPRESSURE: 4532400 -123.77 50.0616 105.555 3.79215 112.159 88.4653 99.6986 171.033 -176.199 PRESSAVG: 4532400 -13.4886 18.3375 -31.021 18.3375 14.289 64.6175 -31.0211 64.6175 16.1893 GPRESSAVG: 4532400 -14.0127 18.102 -30.5897 18.7463 14.8746 65.4737 -32.2851 64.1482 15.8922 TIMING: 4532400 CPU: 13621.7, 0.00311213/step Wall: 13621.7, 0.00311213/step, 0.404231 hours remaining, 207.589844 MB of memory in use. ENERGY: 4532400 724.7578 2125.2593 1945.8115 118.3829 -205649.4959 17538.5488 0.0000 0.0000 34361.3250 -148835.4108 300.0860 -183196.7357 -148738.6020 299.7050 -96.9653 -62.6035 558455.7979 5.6632 5.5847 PRESSURE: 4532600 217.068 91.0414 -49.4689 91.042 192.52 -14.1919 -49.4684 -14.1909 -81.7705 GPRESSURE: 4532600 301.352 48.3052 -2.46232 17.1937 207.148 -68.9713 -105.167 -44.0316 -86.6454 PRESSAVG: 4532600 63.6532 -34.3925 38.5847 -34.3926 -64.6492 3.13355 38.5848 3.13349 -37.6234 GPRESSAVG: 4532600 64.1592 -33.2031 40.7119 -34.1156 -66.2865 3.0368 38.3022 3.1845 -36.9344 TIMING: 4532600 CPU: 13622.3, 0.00306653/step Wall: 13622.3, 0.00306653/step, 0.398138 hours remaining, 207.832031 MB of memory in use. ENERGY: 4532600 742.6710 2113.2316 1914.7489 106.8389 -205825.0777 17680.2845 0.0000 0.0000 34354.0986 -148913.2041 300.0229 -183267.3027 -148822.4139 300.0648 109.2726 140.6181 556103.5807 -12.8731 -13.0206 PRESSURE: 4532800 169.17 96.8494 -9.39383 96.8476 51.3056 38.9537 -9.39418 38.9543 -430.199 GPRESSURE: 4532800 218.607 82.584 81.107 110.752 53.5263 101.682 -99.6725 10.3764 -375.086 PRESSAVG: 4532800 10.8382 17.1656 10.4414 17.1656 75.0497 11.1341 10.4414 11.1342 -95.4899 GPRESSAVG: 4532800 10.9215 17.928 9.40629 18.1899 75.61 11.0038 11.1932 11.4899 -95.5733 TIMING: 4532800 CPU: 13622.9, 0.00306043/step Wall: 13622.9, 0.00306043/step, 0.397176 hours remaining, 207.832031 MB of memory in use. ENERGY: 4532800 756.1912 2107.5958 1919.4004 118.1654 -205964.0768 17700.6325 0.0000 0.0000 34312.8923 -149049.1992 299.6630 -183362.0915 -148948.5848 299.9741 -69.9078 -34.3176 557039.8046 -3.2007 -3.0139 PRESSURE: 4533000 -277.682 -52.7149 104.679 -52.7158 -72.2668 -53.6884 104.68 -53.6868 -192.461 GPRESSURE: 4533000 -278.852 -84.8302 86.791 -93.088 -12.9056 -138.429 48.495 21.0021 -158.761 PRESSAVG: 4533000 36.6804 -44.5495 0.650739 -44.5494 24.4872 3.48754 0.650761 3.48766 -56.2623 GPRESSAVG: 4533000 36.6502 -45.1785 -0.361454 -46.3259 25.8484 4.85299 -0.902551 4.83092 -58.1881 TIMING: 4533000 CPU: 13623.5, 0.00301565/step Wall: 13623.5, 0.00301565/step, 0.391196 hours remaining, 207.832031 MB of memory in use. ENERGY: 4533000 789.1368 2126.7656 1920.2126 109.8138 -205853.3690 17715.1019 0.0000 0.0000 34153.7465 -149038.5918 298.2732 -183192.3383 -148940.2361 299.7111 -180.8031 -150.1728 558154.5610 1.6351 1.4368 PRESSURE: 4533200 -141.514 -193.344 78.301 -193.345 -99.4697 -10.5822 78.3017 -10.5815 -220.338 GPRESSURE: 4533200 -85.2134 -195.094 109.589 -185.175 -64.5882 -12.4825 64.7056 -27.8629 -216.545 PRESSAVG: 4533200 41.9175 -33.0754 -47.4993 -33.0754 22.0803 -31.8267 -47.4992 -31.8268 -58.0988 GPRESSAVG: 4533200 41.1248 -32.5228 -44.4669 -34.0076 21.971 -34.4263 -48.8723 -30.8426 -57.265 TIMING: 4533200 CPU: 13624.1, 0.00304295/step Wall: 13624.1, 0.00304295/step, 0.394569 hours remaining, 207.832031 MB of memory in use. ENERGY: 4533200 749.2381 2098.9846 1940.3078 114.3966 -205592.9599 17464.8735 0.0000 0.0000 34193.7191 -149031.4402 298.6223 -183225.1593 -148939.1527 299.9734 -153.7740 -122.1154 558499.0715 1.9663 1.9436 PRESSURE: 4533400 -127.16 33.3034 67.0732 33.3037 -161.909 -31.8693 67.0745 -31.8711 215.207 GPRESSURE: 4533400 -28.9033 115.252 159.157 88.5619 -124.069 23.9643 10.1151 -104.555 173.76 PRESSAVG: 4533400 9.32666 -42.3765 15.6044 -42.3765 28.4635 -13.4754 15.6044 -13.4754 -51.1963 GPRESSAVG: 4533400 8.74036 -44.5084 13.2952 -39.5974 28.4815 -12.0725 18.2319 -15.2063 -50.8635 TIMING: 4533400 CPU: 13624.7, 0.00307012/step Wall: 13624.7, 0.00307012/step, 0.397922 hours remaining, 207.832031 MB of memory in use. ENERGY: 4533400 757.1133 2117.0477 1937.3358 109.2780 -206206.9505 17804.7176 0.0000 0.0000 34471.9082 -149009.5499 301.0517 -183481.4581 -148911.4887 300.3284 -24.6209 6.9294 557875.9483 -4.4687 -4.5472 PRESSURE: 4533600 89.6651 -103.643 -15.2714 -103.643 319.093 -85.2272 -15.2719 -85.2272 1.62257 GPRESSURE: 4533600 81.6908 -33.099 50.7307 -192.601 360.83 -22.8692 -71.2679 -100.119 62.3434 PRESSAVG: 4533600 -32.0851 25.0979 -27.3571 25.0979 26.6541 -29.8081 -27.3572 -29.808 -10.8848 GPRESSAVG: 4533600 -31.4197 26.7564 -29.6669 24.034 26.0378 -30.1218 -26.6956 -29.2241 -11.1874 TIMING: 4533600 CPU: 13625.3, 0.0030176/step Wall: 13625.3, 0.0030176/step, 0.390947 hours remaining, 207.832031 MB of memory in use. ENERGY: 4533600 746.2906 2042.5143 1970.0215 111.5593 -206588.2586 18060.8884 0.0000 0.0000 34498.3101 -149158.6745 301.2823 -183656.9846 -149059.6421 299.7329 136.7936 168.2880 556436.8016 -5.4386 -5.5231 PRESSURE: 4533800 -105.572 -72.2095 -66.5869 -72.2101 25.8295 -18.9183 -66.5868 -18.9183 -98.6955 GPRESSURE: 4533800 -167.824 -77.7231 -112.604 -110.826 117.771 34.685 30.4122 -4.45845 -47.3904 PRESSAVG: 4533800 6.51694 -31.1621 -4.05031 -31.1621 56.1618 -15.3589 -4.05024 -15.3588 -32.9838 GPRESSAVG: 4533800 5.82846 -29.9978 -1.7676 -29.5041 55.7527 -16.0516 -3.5579 -14.4099 -32.0717 TIMING: 4533800 CPU: 13625.9, 0.00303456/step Wall: 13625.9, 0.00303456/step, 0.392975 hours remaining, 207.832031 MB of memory in use. ENERGY: 4533800 757.7273 2094.6424 1933.0783 98.1630 -205769.2216 17460.0094 0.0000 0.0000 34209.6090 -149215.9922 298.7610 -183425.6012 -149120.8768 299.5270 -59.4795 -32.4812 555908.3134 9.8983 9.8365 PRESSURE: 4534000 -38.3414 27.8882 -203.464 27.8893 -133.075 -158.916 -203.464 -158.917 -103.238 GPRESSURE: 4534000 -22.7741 -28.7306 -216.961 35.1103 -80.297 -110.805 -198.905 -263.921 -61.3026 PRESSAVG: 4534000 -31.6719 -15.6171 -49.5925 -15.617 21.2759 -22.5369 -49.5925 -22.5369 6.97438 GPRESSAVG: 4534000 -30.5072 -14.7339 -48.1593 -19.602 22.4099 -21.4521 -49.0914 -23.7476 5.36456 TIMING: 4534000 CPU: 13626.5, 0.00304394/step Wall: 13626.5, 0.00304394/step, 0.394021 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: 4534000 752.6358 2070.1856 1958.0357 104.2227 -206020.9474 17573.8673 0.0000 0.0000 34256.1607 -149305.8397 299.1676 -183562.0004 -149206.9949 299.7825 -91.5515 -54.7912 556600.8978 -1.1406 -0.9109 PRESSURE: 4534200 -112.616 -96.6495 117.871 -96.6494 54.1167 -163.729 117.871 -163.728 57.5754 GPRESSURE: 4534200 -88.6942 -44.1721 183.998 -134.469 118.174 -145.69 80.9761 -182.342 67.4001 PRESSAVG: 4534200 8.15633 -8.20075 25.4465 -8.20074 28.3988 -70.1843 25.4464 -70.1843 0.370233 GPRESSAVG: 4534200 9.21823 -8.22814 22.4773 -5.64774 27.5111 -68.9789 24.7752 -70.2077 -0.349977 TIMING: 4534200 CPU: 13627.2, 0.00304751/step Wall: 13627.2, 0.00304751/step, 0.394314 hours remaining, 208.089844 MB of memory in use. ENERGY: 4534200 783.3488 2092.0660 1929.2610 104.5419 -206569.6452 17946.2425 0.0000 0.0000 34425.6184 -149288.5665 300.6475 -183714.1849 -149191.1428 299.5621 -0.3078 32.2933 557551.4894 12.3085 12.1265 PRESSURE: 4534400 143.631 60.5726 -109.654 60.5724 -34.2725 -117.509 -109.654 -117.509 -121.599 GPRESSURE: 4534400 196.505 -13.1678 -119.47 39.2742 -72.5403 -14.8194 -60.8279 -117.472 -35.4466 PRESSAVG: 4534400 22.5145 -23.8164 11.6991 -23.8164 43.7861 -62.6114 11.6992 -62.6114 -49.5064 GPRESSAVG: 4534400 21.5434 -22.7649 13.218 -24.9737 44.2539 -63.1893 9.86436 -62.8646 -48.6047 TIMING: 4534400 CPU: 13627.8, 0.00302274/step Wall: 13627.8, 0.00302274/step, 0.390941 hours remaining, 208.089844 MB of memory in use. ENERGY: 4534400 730.3677 2116.1989 1907.1097 127.5459 -206089.2485 17829.0825 0.0000 0.0000 34335.0362 -149043.9077 299.8564 -183378.9438 -148942.8525 299.7805 -4.0800 29.5062 557795.8377 5.5981 5.7308 PRESSURE: 4534600 -162.786 54.3023 106.026 54.3013 -217.41 -28.624 106.027 -28.6232 -299.12 GPRESSURE: 4534600 -89.5855 -26.6985 53.8959 24.0485 -168.642 -66.9174 157.279 -25.3337 -311.872 PRESSAVG: 4534600 21.4366 32.7633 8.37479 32.7634 -45.3099 -24.0858 8.37478 -24.0857 31.2421 GPRESSAVG: 4534600 21.2761 30.605 9.2926 33.8554 -44.0315 -25.365 10.8558 -22.9797 30.5317 TIMING: 4534600 CPU: 13628.4, 0.00303772/step Wall: 13628.4, 0.00303772/step, 0.39271 hours remaining, 208.089844 MB of memory in use. ENERGY: 4534600 750.8629 2097.3221 1965.9664 117.0976 -205614.6867 17378.7767 0.0000 0.0000 34128.5878 -149176.0733 298.0534 -183304.6611 -149083.3241 300.0023 -226.4389 -190.0331 555687.4376 2.4563 2.5921 PRESSURE: 4534800 -89.0473 133.253 -101.711 133.253 -39.9126 -69.5858 -101.711 -69.5869 -157.944 GPRESSURE: 4534800 -41.5242 135.801 -135.28 114.778 6.34853 -8.14251 -84.89 -119.906 -159.822 PRESSAVG: 4534800 -17.8045 41.8504 -32.4976 41.8503 -56.8563 -9.21384 -32.4977 -9.21376 -9.80193 GPRESSAVG: 4534800 -17.8444 39.5507 -34.2213 42.6622 -58.5401 -8.13129 -32.3209 -11.136 -8.35716 TIMING: 4534800 CPU: 13629, 0.00304624/step Wall: 13629, 0.00304624/step, 0.393642 hours remaining, 208.089844 MB of memory in use. ENERGY: 4534800 744.1280 2140.9671 1914.8154 113.6048 -205947.0845 17553.2610 0.0000 0.0000 34387.2946 -149093.0136 300.3128 -183480.3082 -149007.3079 299.2770 -95.6346 -64.9992 557109.8815 -28.1542 -28.2472 PRESSURE: 4535000 256.359 -83.1189 8.61417 -83.1192 -33.742 -122.123 8.61341 -122.122 -130.763 GPRESSURE: 4535000 269.63 31.9207 77.4678 -164.629 13.4437 -77.3852 -104.68 -49.5282 -106.981 PRESSAVG: 4535000 43.6381 48.2108 -27.212 48.2107 -65.0316 -55.7342 -27.212 -55.7342 48.7173 GPRESSAVG: 4535000 43.3521 51.1673 -24.7182 47.4614 -64.2457 -56.2014 -27.8971 -52.4823 48.5555 TIMING: 4535000 CPU: 13629.6, 0.00303932/step Wall: 13629.6, 0.00303932/step, 0.392579 hours remaining, 208.089844 MB of memory in use. ENERGY: 4535000 770.1457 2076.6309 1944.1226 123.5859 -205963.5828 17765.5944 0.0000 0.0000 34095.7106 -149187.7928 297.7663 -183283.5034 -149093.6837 299.9849 30.6180 58.6974 556310.0644 9.1079 9.2206 PRESSURE: 4535200 191.05 -146.405 69.6141 -146.405 233.632 -61.6677 69.6136 -61.6686 203.867 GPRESSURE: 4535200 189.099 -286.24 77.7353 -40.7179 335.538 -7.17601 19.3177 -13.7536 201.503 PRESSAVG: 4535200 29.5557 5.79411 -26.245 5.79412 -45.4974 14.0591 -26.245 14.059 23.1342 GPRESSAVG: 4535200 28.6896 6.2769 -27.6392 4.58633 -44.9115 14.3865 -27.7038 13.9267 23.3613 TIMING: 4535200 CPU: 13630.2, 0.00304553/step Wall: 13630.2, 0.00304553/step, 0.393212 hours remaining, 208.089844 MB of memory in use. ENERGY: 4535200 771.2250 2122.1268 1943.0880 112.8884 -206356.3203 18003.3386 0.0000 0.0000 34262.8855 -149140.7680 299.2263 -183403.6535 -149031.7530 299.4001 209.5163 242.0465 555998.1382 2.3975 2.3798 PRESSURE: 4535400 106.865 -59.7329 -39.6229 -59.7342 -5.27906 -23.5464 -39.6249 -23.5447 248.826 GPRESSURE: 4535400 65.7803 -81.2886 -99.6485 -97.0165 34.3399 -34.0397 -49.1949 58.7254 328.482 PRESSAVG: 4535400 39.0979 -0.57001 32.468 -0.570107 27.7884 2.85995 32.4679 2.8599 -49.8004 GPRESSAVG: 4535400 38.9333 -1.67141 30.8806 -0.380785 27.5276 4.24632 34.4075 0.402333 -49.6363 TIMING: 4535400 CPU: 13630.8, 0.00304638/step Wall: 13630.8, 0.00304638/step, 0.393152 hours remaining, 208.089844 MB of memory in use. ENERGY: 4535400 747.9844 2085.0254 1927.8689 128.3395 -206162.5326 17914.4100 0.0000 0.0000 34189.7278 -149169.1767 298.5874 -183358.9044 -149067.4462 299.3348 116.8038 142.8675 556588.8571 5.6953 5.6082 PRESSURE: 4535600 -79.1057 -38.8432 -10.7113 -38.8445 -213.445 14.6248 -10.7122 14.6233 -5.10906 GPRESSURE: 4535600 -92.6139 -59.8531 -25.5076 -1.58326 -131.133 -37.565 66.1777 56.4428 29.3955 PRESSAVG: 4535600 35.1772 -10.3491 30.0676 -10.3491 -57.3087 38.367 30.0677 38.3669 3.18522 GPRESSAVG: 4535600 35.35 -10.8493 31.4024 -8.25199 -57.5803 37.5129 29.8341 41.0888 3.22574 TIMING: 4535600 CPU: 13631.4, 0.00303529/step Wall: 13631.4, 0.00303529/step, 0.391553 hours remaining, 208.089844 MB of memory in use. ENERGY: 4535600 750.7008 2070.5464 1968.6762 112.4877 -206045.0833 17626.4852 0.0000 0.0000 34323.2878 -149192.8991 299.7538 -183516.1869 -149096.7822 298.9148 -99.2200 -64.7837 557090.3919 -6.3155 -6.3349 PRESSURE: 4535800 -44.895 102.765 152.16 102.764 -230.294 -54.9559 152.161 -54.9537 18.9754 GPRESSURE: 4535800 -26.5451 125.312 168.096 85.4908 -161.099 -122.957 128.658 43.6927 31.8472 PRESSAVG: 4535800 58.3992 6.6405 -4.55138 6.64057 -83.1002 30.3586 -4.55143 30.3586 -6.94569 GPRESSAVG: 4535800 59.2379 7.54432 -4.95497 5.8934 -81.9735 27.3398 -4.42077 31.3273 -9.01004 TIMING: 4535800 CPU: 13632, 0.00303845/step Wall: 13632, 0.00303845/step, 0.391792 hours remaining, 208.156250 MB of memory in use. ENERGY: 4535800 748.6239 2113.9643 1941.8522 117.6994 -205926.3091 17753.7856 0.0000 0.0000 34191.5992 -149058.7845 298.6037 -183250.3837 -148971.5243 299.4103 -85.4046 -51.9323 558264.6510 -10.5489 -10.5819 PRESSURE: 4536000 -278.655 100.214 -121.646 100.213 -225.294 -107.598 -121.646 -107.596 -244.347 GPRESSURE: 4536000 -233.705 108.434 -117.932 74.5309 -152.94 -66.858 -130.674 -150.661 -252.765 PRESSAVG: 4536000 72.2534 25.8796 57.1911 25.8795 -109.24 -11.7723 57.1911 -11.7723 56.8465 GPRESSAVG: 4536000 72.464 25.5722 60.9539 25.1236 -110.622 -11.0889 54.2285 -11.7746 57.7968 TIMING: 4536000 CPU: 13632.6, 0.00302231/step Wall: 13632.6, 0.00302231/step, 0.389542 hours remaining, 208.156250 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: 4536000 790.6062 2050.3697 1939.1724 99.5060 -205921.7846 17632.1077 0.0000 0.0000 34079.8814 -149330.1412 297.6281 -183410.0225 -149238.8687 299.2216 -249.4319 -213.1369 558163.5522 6.6200 6.5461 PRESSURE: 4536200 -264.911 174.719 -114.363 174.72 -89.1287 174.715 -114.364 174.715 -83.6528 GPRESSURE: 4536200 -179.313 315.685 -18.7029 132.747 -63.1302 88.5334 -112.58 216.485 -100.149 PRESSAVG: 4536200 47.2788 -1.64469 3.62706 -1.64474 -59.0106 -49.4578 3.62707 -49.4578 14.5517 GPRESSAVG: 4536200 47.3672 -0.514606 0.463785 -2.1635 -59.0185 -49.6977 5.49113 -50.5851 14.5939 TIMING: 4536200 CPU: 13633.2, 0.00303847/step Wall: 13633.2, 0.00303847/step, 0.391457 hours remaining, 208.156250 MB of memory in use. ENERGY: 4536200 712.5766 2066.3944 1952.5345 116.0675 -205951.6035 17524.2049 0.0000 0.0000 34116.4434 -149463.3822 297.9474 -183579.8256 -149363.8499 298.3180 -145.8975 -114.1977 557217.5578 0.9400 0.9809 LDB: ============= START OF LOAD BALANCING ============== 13636.7 LDB: ============== END OF LOAD BALANCING =============== 13636.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13636.7 LDB: ============= START OF LOAD BALANCING ============== 13637 LDB: Largest compute 4820 load 0.025469 is 21.6% of average load 0.118151 LDB: Average compute 0.001735 is 1.5% of average load 0.118151 LDB: TIME 13637 LOAD: AVG 0.118151 MAX 0.219674 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.586 MB LDB: TIME 13637 LOAD: AVG 0.118151 MAX 0.219674 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.586 MB LDB: TIME 13637 LOAD: AVG 0.118151 MAX 0.219674 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.586 MB LDB: ============== END OF LOAD BALANCING =============== 13637 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13637 PRESSURE: 4536400 -58.3661 189.07 -22.4832 189.07 64.418 87.8917 -22.4838 87.893 39.4802 GPRESSURE: 4536400 6.62118 226.445 -10.5834 192.016 57.6236 37.189 -40.4619 58.9293 90.8013 PRESSAVG: 4536400 1.78079 -22.8067 -57.0249 -22.8068 -44.3478 10.3152 -57.025 10.3152 58.8439 GPRESSAVG: 4536400 1.57374 -22.7893 -57.9646 -22.6189 -44.5952 10.8772 -57.4971 8.90777 59.3552 TIMING: 4536400 CPU: 13633.8, 0.00310775/step Wall: 13633.8, 0.00310775/step, 0.400209 hours remaining, 207.847656 MB of memory in use. ENERGY: 4536400 699.8884 2035.4353 1955.9322 103.3170 -206119.2510 17761.5375 0.0000 0.0000 34084.9426 -149478.1979 297.6723 -183563.1405 -149385.0741 299.0732 15.1774 51.6820 558018.0982 5.4257 5.4446 PRESSURE: 4536600 67.4602 163.178 87.4101 163.176 -207.175 -43.8486 87.4109 -43.849 413.414 GPRESSURE: 4536600 88.2402 152.713 151.139 88.7803 -114.222 -0.415913 30.2667 -90.2561 401.293 PRESSAVG: 4536600 17.0614 -31.7311 -14.906 -31.7312 -87.8335 0.711701 -14.906 0.711748 50.5902 GPRESSAVG: 4536600 17.3965 -34.2646 -12.5324 -30.4962 -87.0785 1.23016 -17.4345 0.739484 49.752 TIMING: 4536600 CPU: 13634.5, 0.00304425/step Wall: 13634.5, 0.00304425/step, 0.391862 hours remaining, 207.847656 MB of memory in use. ENERGY: 4536600 744.7116 2059.4012 1944.3855 107.6907 -206707.3975 18092.8298 0.0000 0.0000 34333.4151 -149424.9636 299.8423 -183758.3787 -149329.7632 299.4824 91.2331 125.1037 556408.2070 -6.7273 -6.6434 PRESSURE: 4536800 -26.4648 -78.0429 144.75 -78.044 25.7732 -82.3253 144.75 -82.3248 -33.3186 GPRESSURE: 4536800 38.1505 -84.9255 124.745 -81.2909 33.6893 -57.0985 131.91 -65.6476 -13.7547 PRESSAVG: 4536800 -18.0888 -39.6169 29.4817 -39.6169 -46.306 34.329 29.4816 34.3289 41.8374 GPRESSAVG: 4536800 -17.4611 -37.5538 29.7495 -41.144 -47.2413 34.8781 30.3089 36.3046 42.1097 TIMING: 4536800 CPU: 13635.1, 0.0030405/step Wall: 13635.1, 0.0030405/step, 0.391211 hours remaining, 207.847656 MB of memory in use. ENERGY: 4536800 743.4806 2087.7352 1959.5663 104.8177 -206353.7005 17745.6787 0.0000 0.0000 34242.3759 -149470.0463 299.0472 -183712.4222 -149371.1913 299.2175 -11.3367 19.3617 555870.6109 -7.5192 -7.5309 PRESSURE: 4537000 172.994 -73.659 -9.00181 -73.6584 -30.2698 -0.478934 -9.00208 -0.478784 20.3245 GPRESSURE: 4537000 188.053 9.01319 -3.11849 -92.2934 -35.1206 64.1886 15.1496 -14.787 112.139 PRESSAVG: 4537000 -58.8159 -50.1084 -17.8989 -50.1084 22.1124 -4.20395 -17.8989 -4.20404 35.8324 GPRESSAVG: 4537000 -58.3323 -49.6017 -18.5177 -50.9117 22.73 -4.63198 -17.0823 -5.71659 35.1228 TIMING: 4537000 CPU: 13635.7, 0.00302608/step Wall: 13635.7, 0.00302608/step, 0.389188 hours remaining, 207.847656 MB of memory in use. ENERGY: 4537000 767.9902 2075.9490 1949.7373 103.4844 -206199.3627 17581.0673 0.0000 0.0000 34112.3918 -149608.7426 297.9120 -183721.1344 -149510.7468 298.1495 54.3496 88.3573 554053.7991 -0.2904 -0.1599 PRESSURE: 4537200 37.2873 -63.5038 -20.6355 -63.5037 -175.805 -56.6719 -20.6343 -56.6716 -106.916 GPRESSURE: 4537200 34.9087 -146.575 -73.5708 -70.9842 -114.154 -147.645 -4.60252 38.1472 -62.664 PRESSAVG: 4537200 18.8589 -20.3073 -22.5212 -20.3073 19.8648 10.8907 -22.5212 10.8907 3.74489 GPRESSAVG: 4537200 17.7299 -18.9458 -24.2866 -19.3179 21.8597 11.4032 -22.0942 9.72699 2.71377 TIMING: 4537200 CPU: 13636.3, 0.00302546/step Wall: 13636.3, 0.00302546/step, 0.388939 hours remaining, 207.847656 MB of memory in use. ENERGY: 4537200 770.4171 2109.8512 1973.6814 112.4079 -206702.3243 17836.5269 0.0000 0.0000 34233.0456 -149666.3941 298.9657 -183899.4397 -149569.5124 298.1704 -81.8115 -47.3030 555704.5094 14.1562 14.1011 PRESSURE: 4537400 42.7083 -85.5734 -49.5536 -85.5732 15.2384 -10.1194 -49.5547 -10.119 179.575 GPRESSURE: 4537400 94.2172 -81.5669 -40.186 -127.396 85.3225 -54.4426 -81.1391 25.5267 152.463 PRESSAVG: 4537400 57.5931 -23.4713 -41.8877 -23.4713 -68.9835 -43.5286 -41.8877 -43.5286 20.594 GPRESSAVG: 4537400 58.5343 -27.5207 -42.6191 -23.8928 -70.2016 -42.5259 -40.452 -42.7386 20.715 TIMING: 4537400 CPU: 13636.9, 0.00306106/step Wall: 13636.9, 0.00306106/step, 0.393346 hours remaining, 207.847656 MB of memory in use. ENERGY: 4537400 740.4925 2092.1775 1937.7746 112.2046 -206305.4420 17868.3337 0.0000 0.0000 34239.4013 -149315.0577 299.0212 -183554.4590 -149219.3682 299.2282 79.1740 110.6675 556410.1109 3.0679 3.0159 PRESSURE: 4537600 -287.082 29.148 97.5895 29.1489 88.4078 -64.9484 97.5907 -64.9474 -132.405 GPRESSURE: 4537600 -179.828 80.3629 198.907 8.572 79.9405 -106.221 9.66378 -11.6259 -125.89 PRESSAVG: 4537600 44.5838 -8.99436 55.1156 -8.99425 11.0953 -64.0713 55.1157 -64.0712 -16.4907 GPRESSAVG: 4537600 44.8364 -5.98226 58.0143 -8.60093 11.2745 -63.188 53.0864 -65.4993 -16.8089 TIMING: 4537600 CPU: 13637.5, 0.00306876/step Wall: 13637.5, 0.00306876/step, 0.394166 hours remaining, 207.847656 MB of memory in use. ENERGY: 4537600 731.6862 2090.2979 1945.7583 123.5442 -206018.6303 17625.8975 0.0000 0.0000 34230.5484 -149270.8977 298.9439 -183501.4462 -149181.9368 298.8497 -110.3597 -75.2590 557426.5385 13.0628 13.1007 PRESSURE: 4537800 69.7692 60.3759 -10.5937 60.3761 165.468 -29.6139 -10.594 -29.6138 -26.3789 GPRESSURE: 4537800 87.5217 26.7492 26.0417 107.468 216.928 -4.8638 100.202 -89.0344 8.00907 PRESSAVG: 4537800 -15.8929 -11.38 19.5468 -11.38 19.5177 -39.5413 19.5468 -39.5413 35.2853 GPRESSAVG: 4537800 -15.7856 -12.4968 18.3565 -11.1406 18.5403 -42.3255 22.5082 -38.0445 36.3185 TIMING: 4537800 CPU: 13638.1, 0.00304861/step Wall: 13638.1, 0.00304861/step, 0.391408 hours remaining, 207.847656 MB of memory in use. ENERGY: 4537800 729.1675 2103.8051 1914.5472 114.9863 -206305.8871 17711.6870 0.0000 0.0000 34451.2175 -149280.4765 300.8711 -183731.6939 -149183.8067 299.3654 69.6194 104.1528 556471.4699 12.9701 13.0244 PRESSURE: 4538000 52.9067 -50.8811 10.8329 -50.881 51.3018 98.917 10.8333 98.9165 53.0124 GPRESSURE: 4538000 139.557 13.4625 -29.5583 -55.0327 14.1757 66.1379 75.2971 88.3898 94.1085 PRESSAVG: 4538000 -30.2936 -22.9962 -22.6956 -22.9962 -12.5607 24.2788 -22.6955 24.2789 43.0202 GPRESSAVG: 4538000 -30.6108 -22.0148 -22.7953 -23.2976 -13.1811 25.6171 -22.4481 24.7487 43.8434 TIMING: 4538000 CPU: 13638.7, 0.00303668/step Wall: 13638.7, 0.00303668/step, 0.389707 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: 4538000 746.3005 2059.0265 1919.4134 126.9678 -206532.1083 18027.0345 0.0000 0.0000 34366.6623 -149286.7033 300.1326 -183653.3656 -149191.5522 299.4855 52.4070 82.6138 557251.2767 0.0553 0.0171 PRESSURE: 4538200 218.717 105.139 16.8091 105.139 27.4286 60.5737 16.8103 60.5763 273.016 GPRESSURE: 4538200 269.346 21.2998 -61.6722 104.116 50.9406 -10.7631 54.6719 86.9356 295.018 PRESSAVG: 4538200 59.81 0.178183 16.608 0.178138 -16.9877 37.9018 16.6079 37.9017 -34.3691 GPRESSAVG: 4538200 60.0455 -1.09396 18.6832 0.133257 -17.268 37.173 14.273 39.0591 -34.2661 TIMING: 4538200 CPU: 13639.3, 0.00303479/step Wall: 13639.3, 0.00303479/step, 0.389296 hours remaining, 207.847656 MB of memory in use. ENERGY: 4538200 701.1371 2116.2569 1915.5831 119.8641 -206315.2999 17855.6701 0.0000 0.0000 34181.2115 -149425.5771 298.5130 -183606.7885 -149327.9390 299.2045 173.0536 205.1017 556971.0516 2.8177 2.8371 PRESSURE: 4538400 -295.399 94.1455 127.674 94.1455 -294.379 107.509 127.676 107.511 -146.404 GPRESSURE: 4538400 -276.357 172.416 136.058 26.5041 -254.902 11.8856 92.6437 163.924 -98.6083 PRESSAVG: 4538400 12.1444 19.3454 26.688 19.3454 -36.9382 32.5361 26.688 32.5362 58.5656 GPRESSAVG: 4538400 10.7921 21.179 24.2502 20.6387 -35.8425 32.162 26.3812 33.5142 58.602 TIMING: 4538400 CPU: 13639.9, 0.00302526/step Wall: 13639.9, 0.00302526/step, 0.387906 hours remaining, 207.847656 MB of memory in use. ENERGY: 4538400 774.1589 2034.2378 1938.1334 132.6435 -206103.2936 17590.2198 0.0000 0.0000 34180.6570 -149453.2432 298.5082 -183633.9002 -149350.6623 298.9126 -245.3942 -209.9559 557299.6252 11.2573 11.1838 PRESSURE: 4538600 -370.955 2.16799 -174.336 2.1687 -468.515 31.0666 -174.337 31.066 -292.427 GPRESSURE: 4538600 -339.409 26.849 -173.897 -135.686 -369.817 28.6183 -74.9545 24.7008 -320.231 PRESSAVG: 4538600 25.4881 -32.0382 27.999 -32.0383 23.1263 22.0272 27.999 22.0272 -45.9343 GPRESSAVG: 4538600 26.1848 -31.2957 31.0038 -34.0961 22.8139 23.1417 29.1633 19.884 -46.168 TIMING: 4538600 CPU: 13640.5, 0.00304507/step Wall: 13640.5, 0.00304507/step, 0.390276 hours remaining, 207.847656 MB of memory in use. ENERGY: 4538600 765.4267 2111.1308 1946.0622 107.8823 -205689.3110 17267.2984 0.0000 0.0000 34103.6918 -149387.8190 297.8360 -183491.5108 -149292.0550 298.7551 -377.2991 -343.1522 559679.1933 0.8933 0.9436 PRESSURE: 4538800 -208.11 -94.4383 -38.5162 -94.4382 -164.276 18.7235 -38.5156 18.7252 187.954 GPRESSURE: 4538800 -191.35 -4.44205 -131.572 -165.341 -100.486 46.7455 -48.7586 -46.0317 200.845 PRESSAVG: 4538800 -14.6101 23.7006 -27.3686 23.7006 3.89647 0.159856 -27.3685 0.15979 14.488 GPRESSAVG: 4538800 -13.3859 21.1698 -28.36 25.9607 2.86455 0.0116584 -27.937 0.378775 13.8341 TIMING: 4538800 CPU: 13641.1, 0.00302874/step Wall: 13641.1, 0.00302874/step, 0.388016 hours remaining, 207.847656 MB of memory in use. ENERGY: 4538800 771.8284 2030.9042 1933.7079 115.0390 -206242.8618 17654.0375 0.0000 0.0000 34247.8374 -149489.5074 299.0949 -183737.3449 -149401.3002 298.0835 -61.4771 -30.3304 555956.4446 1.2581 1.1042 PRESSURE: 4539000 -98.506 176.864 63.4569 176.864 -307.978 -169.148 63.457 -169.149 -356.229 GPRESSURE: 4539000 -52.6732 148.508 56.1681 231.941 -324.79 -77.3104 37.6209 -233.461 -284.712 PRESSAVG: 4539000 -37.583 15.1136 -39.7513 15.1137 13.3831 -16.4324 -39.7512 -16.4323 -13.7247 GPRESSAVG: 4539000 -37.5562 15.6066 -42.969 15.6124 12.928 -17.2431 -36.1627 -15.7259 -14.0007 TIMING: 4539000 CPU: 13641.8, 0.00304043/step Wall: 13641.8, 0.00304043/step, 0.389344 hours remaining, 207.847656 MB of memory in use. ENERGY: 4539000 801.6010 2067.3092 1940.1012 100.6814 -205721.4919 17372.7801 0.0000 0.0000 34043.2973 -149395.7216 297.3086 -183439.0189 -149304.1549 298.1846 -254.2379 -220.7250 557083.3726 -12.6416 -12.8763 PRESSURE: 4539200 -147.955 -242.581 120.422 -242.581 52.5359 211.929 120.423 211.929 -7.77168 GPRESSURE: 4539200 -125.55 -246.755 9.89613 -176.891 56.8929 227.743 191.103 251.347 75.9776 PRESSAVG: 4539200 30.1477 94.9332 -5.30193 94.9331 -21.2381 35.5376 -5.30184 35.5378 6.88705 GPRESSAVG: 4539200 29.6819 94.3682 -1.44839 93.3601 -20.3578 37.5369 -9.40284 34.4708 6.75621 TIMING: 4539200 CPU: 13642.4, 0.0030225/step Wall: 13642.4, 0.0030225/step, 0.386881 hours remaining, 207.847656 MB of memory in use. ENERGY: 4539200 763.9610 2069.1729 1942.0686 115.3521 -206208.2311 17765.5534 0.0000 0.0000 34356.4293 -149195.6938 300.0432 -183552.1231 -149105.3197 299.0348 -34.3968 2.4402 556088.9311 5.2655 5.3601 PRESSURE: 4539400 -294.275 -14.2384 26.9989 -14.2371 7.45448 210.796 27.0002 210.795 -171.734 GPRESSURE: 4539400 -209.01 -38.2062 43.1643 33.1984 43.0031 261.394 -21.1914 30.8473 -188.112 PRESSAVG: 4539400 -7.26775 -48.8907 24.022 -48.8906 43.8181 76.707 24.0222 76.707 5.4443 GPRESSAVG: 4539400 -7.192 -49.1928 22.5847 -47.0198 43.5815 76.0146 24.4885 75.3163 5.53941 TIMING: 4539400 CPU: 13643, 0.00300505/step Wall: 13643, 0.00300505/step, 0.38448 hours remaining, 207.847656 MB of memory in use. ENERGY: 4539400 758.4307 2093.6475 1927.6075 127.1169 -205909.8089 17416.1166 0.0000 0.0000 34400.2066 -149186.6831 300.4256 -183586.8896 -149086.8219 299.1140 -152.8517 -118.0396 556737.4363 13.9982 13.9763 PRESSURE: 4539600 -46.9539 26.8415 47.8727 26.8411 -6.09943 -8.06338 47.8718 -8.06464 93.2376 GPRESSURE: 4539600 38.7994 141.697 80.2783 -97.9222 35.4625 14.6725 101.427 55.7054 82.99 PRESSAVG: 4539600 6.52544 25.1167 -34.7733 25.1168 27.6943 8.83152 -34.7733 8.83165 -14.8662 GPRESSAVG: 4539600 5.9041 25.5363 -35.4755 23.3079 27.2381 8.39511 -31.9918 12.4696 -14.1778 TIMING: 4539600 CPU: 13643.6, 0.00301019/step Wall: 13643.6, 0.00301019/step, 0.38497 hours remaining, 207.847656 MB of memory in use. ENERGY: 4539600 750.7344 2104.4820 1979.4916 129.0741 -206425.8046 17800.3703 0.0000 0.0000 34410.3140 -149251.3381 300.5138 -183661.6521 -149152.1296 299.2616 13.3948 52.4173 556904.7399 6.4512 6.3215 PRESSURE: 4539800 -191.167 -98.7684 62.0947 -98.769 99.1868 -156.391 62.0942 -156.392 -22.7802 GPRESSURE: 4539800 -158.869 -34.9772 72.8905 -107.324 103.998 -227.357 35.2885 -126.975 50.7802 PRESSAVG: 4539800 31.3754 -22.2398 -6.96579 -22.2399 -12.407 26.0327 -6.96584 26.0327 -24.3229 GPRESSAVG: 4539800 30.4658 -19.8708 -5.96233 -21.9111 -11.338 23.9023 -8.99774 25.9653 -25.1514 TIMING: 4539800 CPU: 13644.2, 0.00301192/step Wall: 13644.2, 0.00301192/step, 0.385024 hours remaining, 207.847656 MB of memory in use. ENERGY: 4539800 770.1416 2120.8671 1926.5868 109.2332 -206201.0219 17730.7087 0.0000 0.0000 34176.4169 -149367.0675 298.4711 -183543.4845 -149267.5783 299.2446 -38.2533 -1.3636 555790.7392 -1.7848 -2.0079 PRESSURE: 4540000 -244.2 -104.856 -49.5075 -104.856 -108.462 38.5011 -49.5072 38.502 -70.5507 GPRESSURE: 4540000 -256.294 -132.373 -62.2587 -111.865 -94.8764 24.8094 -100.978 49.7274 24.7091 PRESSAVG: 4540000 64.6243 -2.82233 20.587 -2.82222 66.5386 -25.3599 20.5869 -25.3599 -82.3697 GPRESSAVG: 4540000 63.6098 -5.13554 19.3336 -1.61672 67.1867 -23.5539 20.7511 -27.45 -81.3737 TIMING: 4540000 CPU: 13644.8, 0.00299672/step Wall: 13644.8, 0.00299672/step, 0.382914 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: 4540000 741.3491 2093.6764 1949.9658 118.8464 -206280.2791 17685.7207 0.0000 0.0000 34346.7701 -149343.9505 299.9589 -183690.7206 -149248.0528 299.3531 -141.0710 -108.8206 557821.4811 16.2644 16.4742 PRESSURE: 4540200 23.3362 63.7282 -18.3476 63.7275 98.8787 143.007 -18.3485 143.008 -97.7495 GPRESSURE: 4540200 68.3703 8.74427 33.473 90.7102 129.64 125.745 -98.8845 208.188 -95.592 PRESSAVG: 4540200 -1.60578 7.31987 -46.9982 7.31984 27.6391 14.2529 -46.9982 14.253 -59.558 GPRESSAVG: 4540200 -0.367809 9.42191 -44.033 6.49032 26.9684 14.9584 -47.9682 13.9961 -60.1485 TIMING: 4540200 CPU: 13645.4, 0.00302258/step Wall: 13645.4, 0.00302258/step, 0.386051 hours remaining, 207.847656 MB of memory in use. ENERGY: 4540200 725.4532 2095.8275 1955.7281 108.4011 -206158.2436 17820.9657 0.0000 0.0000 33936.1683 -149515.6997 296.3730 -183451.8680 -149426.2879 298.6840 8.1551 34.1393 557545.7806 -11.1749 -11.1827 LDB: ============= START OF LOAD BALANCING ============== 13648.8 LDB: ============== END OF LOAD BALANCING =============== 13648.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13648.8 LDB: ============= START OF LOAD BALANCING ============== 13649.1 LDB: Largest compute 4820 load 0.025727 is 21.8% of average load 0.118100 LDB: Average compute 0.001733 is 1.5% of average load 0.118100 LDB: TIME 13649.1 LOAD: AVG 0.1181 MAX 0.220207 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.652 MB LDB: TIME 13649.1 LOAD: AVG 0.1181 MAX 0.220207 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.723 MB LDB: TIME 13649.1 LOAD: AVG 0.1181 MAX 0.220207 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.723 MB LDB: ============== END OF LOAD BALANCING =============== 13649.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13649.1 PRESSURE: 4540400 225.743 69.7958 8.32348 69.7956 69.2891 -74.2803 8.32458 -74.2809 181.641 GPRESSURE: 4540400 281.336 73.37 122.088 47.205 94.1849 -69.283 2.95575 -55.2079 185.686 PRESSAVG: 4540400 36.9011 -20.569 -0.0169844 -20.5691 -16.6825 -4.04715 -0.0169774 -4.0471 9.15145 GPRESSAVG: 4540400 36.5195 -22.5672 -1.40185 -19.2375 -17.3785 -2.68823 1.33466 -5.82255 10.4511 TIMING: 4540400 CPU: 13646, 0.00307403/step Wall: 13646, 0.00307403/step, 0.392451 hours remaining, 208.042969 MB of memory in use. ENERGY: 4540400 746.5730 2099.8102 1934.4900 120.3531 -206954.4214 18286.8737 0.0000 0.0000 34228.5174 -149537.8040 298.9262 -183766.3214 -149441.5699 298.6263 158.8913 187.0687 556075.7034 9.7900 9.8640 PRESSURE: 4540600 417.539 3.19305 7.15234 3.19418 115.564 -35.2653 7.15299 -35.264 -7.60206 GPRESSURE: 4540600 406.768 75.5168 -93.7758 -53.9211 216.669 -125.259 -9.00504 -7.38957 5.52952 PRESSAVG: 4540600 -7.48531 -29.3188 14.0068 -29.3189 43.1889 -43.7138 14.0068 -43.7139 -15.0955 GPRESSAVG: 4540600 -6.74363 -27.4478 12.9925 -31.5613 43.4074 -44.5571 13.5259 -42.4138 -15.4536 TIMING: 4540600 CPU: 13646.6, 0.00303451/step Wall: 13646.6, 0.00303451/step, 0.387238 hours remaining, 208.113281 MB of memory in use. ENERGY: 4540600 741.1423 2062.4366 1911.8010 106.4971 -206658.1466 18024.2901 0.0000 0.0000 34306.3733 -149505.6063 299.6061 -183811.9795 -149404.2631 298.6878 175.1669 209.6554 555666.3412 6.8693 7.0701 PRESSURE: 4540800 -30.7189 103.671 20.692 103.67 -67.8739 -44.539 20.6915 -44.5399 83.6236 GPRESSURE: 4540800 -29.8665 56.6015 -26.8978 170.516 -19.5644 -27.794 17.1308 -61.705 143.902 PRESSAVG: 4540800 -40.5632 -24.956 14.1869 -24.9559 92.3562 -14.3428 14.1868 -14.3427 -13.7165 GPRESSAVG: 4540800 -41.0785 -26.2944 13.4491 -24.6443 93.375 -14.5217 14.3866 -13.8529 -13.672 TIMING: 4540800 CPU: 13647.2, 0.003043/step Wall: 13647.2, 0.003043/step, 0.388151 hours remaining, 208.113281 MB of memory in use. ENERGY: 4540800 758.1404 2055.7701 1960.2850 115.0433 -206125.7400 17749.6774 0.0000 0.0000 33898.2312 -149588.5925 296.0417 -183486.8237 -149494.9448 298.5281 -4.9898 31.4903 555728.2841 12.6922 12.8748 PRESSURE: 4541000 35.6548 -4.13985 -55.6362 -4.14096 64.5252 -37.2783 -55.6361 -37.278 -96.8178 GPRESSURE: 4541000 87.1384 -43.1974 -50.9895 57.0054 69.3914 -19.6869 -71.6103 -50.9735 -40.8345 PRESSAVG: 4541000 81.7748 12.1261 21.9502 12.1262 -80.7724 18.5284 21.9502 18.5284 22.4746 GPRESSAVG: 4541000 82.7518 12.4143 22.8448 12.863 -81.2168 17.9141 20.9946 19.1712 21.9685 TIMING: 4541000 CPU: 13647.8, 0.00304535/step Wall: 13647.8, 0.00304535/step, 0.388282 hours remaining, 208.113281 MB of memory in use. ENERGY: 4541000 745.9571 2091.5635 1952.6774 105.3527 -206422.8540 17851.8645 0.0000 0.0000 34137.6272 -149537.8117 298.1324 -183675.4389 -149448.9234 298.0965 1.1207 38.5651 556386.3479 7.8257 7.8345 PRESSURE: 4541200 -43.6777 81.9048 6.71262 81.9044 -50.494 27.4977 6.71276 27.4981 279.153 GPRESSURE: 4541200 -36.4912 33.1926 19.1154 54.8014 -14.3473 11.6022 -20.2096 51.6854 328.052 PRESSAVG: 4541200 -1.2473 26.4646 50.4572 26.4645 6.65539 -3.76848 50.4571 -3.76852 1.41334 GPRESSAVG: 4541200 -2.03351 27.5392 50.3815 26.7003 6.60668 -3.76803 52.3045 -4.23498 1.71406 TIMING: 4541200 CPU: 13648.4, 0.00304722/step Wall: 13648.4, 0.00304722/step, 0.388351 hours remaining, 208.113281 MB of memory in use. ENERGY: 4541200 737.2276 2096.2410 1939.3471 115.9963 -206816.2391 18171.5794 0.0000 0.0000 34209.9390 -149545.9087 298.7639 -183755.8477 -149455.9885 298.1877 61.6606 92.4043 557540.7002 2.2738 2.0957 PRESSURE: 4541400 134.858 60.8026 7.53317 60.8 -195.659 154.068 7.53217 154.07 -204.303 GPRESSURE: 4541400 196.309 75.9151 8.4688 86.0847 -151.538 56.1887 36.1355 95.859 -210.927 PRESSAVG: 4541400 -18.7459 -0.752966 22.2369 -0.753008 -40.1031 -14.0568 22.237 -14.0568 48.4746 GPRESSAVG: 4541400 -19.2088 -3.32133 22.0651 1.03714 -38.714 -12.6134 20.9716 -14.4332 47.7974 TIMING: 4541400 CPU: 13649, 0.00304941/step Wall: 13649, 0.00304941/step, 0.388461 hours remaining, 208.113281 MB of memory in use. ENERGY: 4541400 735.0014 2092.0691 1948.3847 105.7257 -206288.8913 17898.3904 0.0000 0.0000 33923.8858 -149585.4342 296.2657 -183509.3200 -149491.9661 298.1953 -88.3681 -55.3850 558665.7593 -3.4581 -3.3752 PRESSURE: 4541600 -224.384 63.7536 68.9249 63.7544 -126.917 69.6977 68.9247 69.6992 -68.4916 GPRESSURE: 4541600 -161.592 51.2425 46.8586 54.6005 -158.501 31.8767 37.5829 89.9328 -11.6742 PRESSAVG: 4541600 31.3266 10.1237 38.3862 10.1237 39.4503 31.3544 38.3862 31.3543 -59.3742 GPRESSAVG: 4541600 32.3606 10.7452 40.164 9.01321 37.2961 30.1023 37.0464 31.2862 -58.8112 TIMING: 4541600 CPU: 13649.6, 0.00305036/step Wall: 13649.6, 0.00305036/step, 0.388413 hours remaining, 208.113281 MB of memory in use. ENERGY: 4541600 744.8659 2073.6072 1954.4324 110.4589 -205669.6398 17530.3428 0.0000 0.0000 33818.7717 -149437.1608 295.3477 -183255.9325 -149337.5713 297.7401 -139.9309 -110.5891 558974.2283 3.8009 3.6152 PRESSURE: 4541800 73.8632 -73.6064 -116.457 -73.6071 -85.0668 -55.7579 -116.458 -55.7585 75.6162 GPRESSURE: 4541800 63.5331 -146.352 -147.999 -111.796 -68.2011 -43.5723 -62.5817 13.3906 169.021 PRESSAVG: 4541800 -5.70289 -13.6023 33.9339 -13.6024 7.39533 -8.13564 33.9339 -8.13564 -22.1794 GPRESSAVG: 4541800 -6.984 -13.3603 31.3553 -12.6722 8.96451 -9.00771 36.2341 -7.49088 -21.9948 TIMING: 4541800 CPU: 13650.2, 0.00303512/step Wall: 13650.2, 0.00303512/step, 0.386303 hours remaining, 208.113281 MB of memory in use. ENERGY: 4541800 718.5586 2078.8613 1938.8875 99.7756 -206299.9426 17999.2850 0.0000 0.0000 34022.8277 -149441.7469 297.1298 -183464.5746 -149348.0773 297.8652 21.4708 54.7844 557020.0249 -6.8290 -6.6714 PRESSURE: 4542000 30.7181 116.682 -46.9607 116.682 -183.191 -95.436 -46.9608 -95.4348 -96.0131 GPRESSURE: 4542000 95.3202 118.505 -82.1993 117.831 -111.714 -153.209 -64.7217 -31.5292 -134.063 PRESSAVG: 4542000 13.805 -34.0088 11.9084 -34.0088 62.9387 -28.9507 11.9084 -28.9508 -32.5696 GPRESSAVG: 4542000 14.4156 -32.8098 10.9843 -36.0486 63.1437 -28.2176 13.0327 -28.9332 -33.1692 TIMING: 4542000 CPU: 13650.9, 0.00305496/step Wall: 13650.9, 0.00305496/step, 0.388659 hours remaining, 208.113281 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: 4542000 766.8580 2061.0560 1946.7067 102.5675 -206474.8584 18068.4061 0.0000 0.0000 34211.3398 -149317.9243 298.7761 -183529.2641 -149221.0736 299.2222 -82.8285 -50.1525 558273.8542 14.7247 14.7967 PRESSURE: 4542200 -157.573 106.297 122.544 106.298 190.943 36.5032 122.544 36.505 242.746 GPRESSURE: 4542200 -160.068 35.0144 47.405 161.863 250.951 10.8407 215.513 -33.3911 279.529 PRESSAVG: 4542200 -2.17171 42.4517 3.07728 42.4516 -10.3384 22.5098 3.07731 22.5098 -2.90172 GPRESSAVG: 4542200 -2.14173 41.3536 4.70744 43.4252 -11.1154 21.8885 2.90239 23.2712 -2.66118 TIMING: 4542200 CPU: 13651.5, 0.00307224/step Wall: 13651.5, 0.00307224/step, 0.390686 hours remaining, 208.113281 MB of memory in use. ENERGY: 4542200 734.3159 2046.3592 1950.5875 108.7787 -206632.8148 18095.9398 0.0000 0.0000 34115.6142 -149581.2196 297.9401 -183696.8338 -149489.0656 297.7147 92.0387 123.4707 556561.8104 -5.1373 -5.3061 PRESSURE: 4542400 -357.216 6.24199 -118.371 6.24199 14.7883 -47.6259 -118.371 -47.6251 -309.769 GPRESSURE: 4542400 -343.981 -3.68645 -128.891 48.4096 16.8642 10.6323 -73.8229 -175.17 -226.575 PRESSAVG: 4542400 -57.6628 20.4243 47.5628 20.4242 22.9202 -6.15601 47.5626 -6.15598 38.5867 GPRESSAVG: 4542400 -57.5249 22.2886 47.7168 20.9571 22.3626 -5.3489 46.9257 -7.19206 39.2959 TIMING: 4542400 CPU: 13652.1, 0.00306073/step Wall: 13652.1, 0.00306073/step, 0.389053 hours remaining, 208.113281 MB of memory in use. ENERGY: 4542400 744.3500 2061.2110 1943.6267 114.5544 -205962.0826 17471.4366 0.0000 0.0000 34108.1486 -149518.7552 297.8749 -183626.9038 -149421.1969 297.0996 -217.3989 -184.5638 557307.6102 1.2814 1.3779 PRESSURE: 4542600 -348.157 -55.2165 -46.0169 -55.217 -534.863 30.4292 -46.0159 30.4288 -171.14 GPRESSURE: 4542600 -315.841 32.525 -103.097 -38.5341 -500.218 -15.0289 -70.4105 101.31 -148.406 PRESSAVG: 4542600 -74.6115 -18.2724 -31.9156 -18.2723 -42.4881 9.52144 -31.9155 9.52133 30.6665 GPRESSAVG: 4542600 -74.3839 -18.9624 -31.2187 -17.9432 -41.8262 8.5932 -32.2715 10.7437 29.9689 TIMING: 4542600 CPU: 13652.7, 0.00302155/step Wall: 13652.7, 0.00302155/step, 0.383905 hours remaining, 208.113281 MB of memory in use. ENERGY: 4542600 777.7498 2069.5744 1950.4903 108.5888 -205997.5077 17479.2844 0.0000 0.0000 34192.5411 -149419.2788 298.6120 -183611.8199 -149325.2645 298.1636 -351.3868 -321.4883 557667.3314 -28.8110 -28.7471 PRESSURE: 4542800 -274.766 -39.935 53.8258 -39.9341 -268.955 114.398 53.8257 114.397 114.574 GPRESSURE: 4542800 -232.442 -12.7769 60.3085 -75.5941 -260.956 68.4377 -22.1721 99.0484 161.05 PRESSAVG: 4542800 44.7096 -15.0585 -21.6039 -15.0585 -58.8438 -4.1392 -21.6039 -4.13919 3.45267 GPRESSAVG: 4542800 43.7719 -15.177 -21.6265 -16.7691 -58.7356 -4.50272 -21.8683 -2.26391 4.04857 TIMING: 4542800 CPU: 13653.3, 0.0030223/step Wall: 13653.3, 0.0030223/step, 0.383833 hours remaining, 208.113281 MB of memory in use. ENERGY: 4542800 753.1719 2100.1110 1921.8084 111.8994 -206015.6635 17575.8352 0.0000 0.0000 34112.8092 -149440.0283 297.9156 -183552.8375 -149344.7036 298.2138 -143.0489 -110.7824 558007.0223 -3.5605 -3.6384 PRESSURE: 4543000 23.1301 -62.2463 94.1714 -62.2459 109.936 -56.689 94.1719 -56.689 23.795 GPRESSURE: 4543000 127.349 4.67623 61.6982 -2.507 145.492 -31.0182 155.824 -72.7575 -17.2157 PRESSAVG: 4543000 -50.1684 -8.87628 21.9445 -8.87629 10.1061 -41.7738 21.9446 -41.7737 42.5496 GPRESSAVG: 4543000 -48.6705 -7.5726 21.566 -9.81575 9.70694 -41.6832 22.3465 -42.4487 41.2055 TIMING: 4543000 CPU: 13653.9, 0.00304256/step Wall: 13653.9, 0.00304256/step, 0.386236 hours remaining, 208.113281 MB of memory in use. ENERGY: 4543000 748.2884 2025.4530 1928.2855 114.2223 -206459.5350 17953.8447 0.0000 0.0000 34183.6172 -149505.8238 298.5340 -183689.4410 -149413.9678 298.1053 52.2869 85.2085 555635.6059 0.8291 0.7473 PRESSURE: 4543200 -147.674 84.0495 8.15145 84.0485 -25.1279 177.432 8.14936 177.432 -274.463 GPRESSURE: 4543200 -127.278 89.4342 -36.2022 -30.5803 -11.6265 132.888 27.0057 168.125 -205.39 PRESSAVG: 4543200 -58.7363 3.41763 32.1155 3.41758 56.9811 -4.83575 32.1154 -4.83576 12.4514 GPRESSAVG: 4543200 -60.3299 1.629 33.1194 5.21605 58.9082 -3.85667 31.7613 -6.02914 12.806 TIMING: 4543200 CPU: 13654.5, 0.00305566/step Wall: 13654.5, 0.00305566/step, 0.38773 hours remaining, 208.113281 MB of memory in use. ENERGY: 4543200 760.8623 2128.0765 1928.9689 104.1117 -206114.4710 17615.6417 0.0000 0.0000 34361.5224 -149215.2876 300.0877 -183576.8100 -149126.1539 298.5794 -149.0885 -114.7649 557440.9447 3.5654 3.7948 PRESSURE: 4543400 0.847817 164.61 1.77343 164.611 84.7247 80.1998 1.77379 80.1991 63.8537 GPRESSURE: 4543400 10.3194 137.453 -29.0373 154.512 96.487 124.047 -26.7406 87.6434 137.9 PRESSAVG: 4543400 -54.2803 -1.44747 -22.792 -1.44744 40.8389 20.1385 -22.7921 20.1385 -14.5274 GPRESSAVG: 4543400 -53.3934 -2.75163 -20.3736 -2.03863 38.7341 20.8227 -22.3703 20.0913 -13.4629 TIMING: 4543400 CPU: 13655.1, 0.0030379/step Wall: 13655.1, 0.0030379/step, 0.385306 hours remaining, 208.113281 MB of memory in use. ENERGY: 4543400 774.9934 2095.5778 1916.2676 121.1163 -206106.8429 17810.8937 0.0000 0.0000 34422.8307 -148965.1634 300.6231 -183387.9942 -148872.8872 299.2276 49.8088 81.5686 557343.6030 -9.3229 -9.3741 PRESSURE: 4543600 -41.8212 -167.617 11.7125 -167.616 -206.237 -33.5358 11.7133 -33.5338 -148.176 GPRESSURE: 4543600 -17.6118 -150.342 42.3692 -137.398 -117.138 23.8218 -132.267 -82.5963 -135.951 PRESSAVG: 4543600 -3.35868 48.5436 15.7495 48.5438 -2.85957 45.3786 15.7494 45.3786 27.9956 GPRESSAVG: 4543600 -4.03148 48.6957 11.7443 48.7815 -1.30883 44.9741 16.4177 45.5923 27.3389 TIMING: 4543600 CPU: 13655.7, 0.00306054/step Wall: 13655.7, 0.00306054/step, 0.388008 hours remaining, 208.113281 MB of memory in use. ENERGY: 4543600 726.4906 2097.7119 1931.6996 113.8270 -206103.7073 17720.7600 0.0000 0.0000 34371.8823 -149141.3359 300.1782 -183513.2182 -149043.5536 300.2676 -132.0779 -90.2336 557463.5502 7.2591 7.3329 PRESSURE: 4543800 125.276 -8.23004 33.8711 -8.22987 52.8654 89.662 33.87 89.6614 100.073 GPRESSURE: 4543800 166.527 -10.1109 -4.75801 -59.4325 50.706 67.779 43.3519 104.004 156.576 PRESSAVG: 4543800 9.82359 -10.9724 -0.981422 -10.9725 -19.3906 1.62487 -0.981364 1.6249 -18.1901 GPRESSAVG: 4543800 10.2834 -8.57613 -0.27487 -11.3048 -20.3829 2.95914 -1.17648 1.72501 -18.3206 TIMING: 4543800 CPU: 13656.3, 0.00304946/step Wall: 13656.3, 0.00304946/step, 0.386434 hours remaining, 208.113281 MB of memory in use. ENERGY: 4543800 682.9879 2108.8758 1931.7736 119.8454 -206001.4535 17792.5100 0.0000 0.0000 34254.4518 -149111.0090 299.1526 -183365.4608 -149017.2727 299.5931 92.7382 124.6030 557669.6353 -9.2524 -9.4734 PRESSURE: 4544000 -21.4483 10.851 -75.6944 10.85 -29.8375 -49.9342 -75.6956 -49.935 -168.091 GPRESSURE: 4544000 -21.6954 -71.0012 -83.4765 11.0265 -12.6722 -46.4691 -92.7994 -22.2035 -83.9274 PRESSAVG: 4544000 -17.6118 22.9512 -24.1306 22.9512 -39.6944 8.25929 -24.1307 8.25928 72.7836 GPRESSAVG: 4544000 -17.514 22.489 -23.2651 22.0404 -39.72 4.80599 -24.0976 10.3612 72.4771 TIMING: 4544000 CPU: 13657, 0.00306801/step Wall: 13657, 0.00306801/step, 0.388615 hours remaining, 208.113281 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: 4544000 751.7216 2032.6647 1956.3730 121.1765 -205807.1720 17544.0217 0.0000 0.0000 34227.2251 -149173.9893 298.9149 -183401.2144 -149076.1776 300.0098 -73.1256 -39.4316 558083.4712 5.1591 5.0811 PRESSURE: 4544200 -181.035 66.3246 -80.1625 66.3247 -394.7 178.206 -80.1625 178.207 -0.576609 GPRESSURE: 4544200 -102.025 93.1648 -39.1864 -105.883 -410.476 238.833 -103.632 105.231 26.3297 PRESSAVG: 4544200 -55.5338 -36.4568 -2.76652 -36.4568 9.21981 14.1708 -2.76649 14.1709 -2.08854 GPRESSAVG: 4544200 -56.5822 -36.8419 -2.21042 -36.2512 10.5052 17.0552 -3.29452 10.3634 -1.71239 TIMING: 4544200 CPU: 13657.6, 0.00305126/step Wall: 13657.6, 0.00305126/step, 0.386324 hours remaining, 208.113281 MB of memory in use. ENERGY: 4544200 752.9585 2101.3021 1922.4673 106.8834 -206115.1659 17768.6544 0.0000 0.0000 34311.1972 -149151.7030 299.6482 -183462.9002 -149051.0430 299.4005 -192.1037 -162.0571 559422.3207 -16.1342 -15.9298 LDB: ============= START OF LOAD BALANCING ============== 13661 LDB: ============== END OF LOAD BALANCING =============== 13661 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13661 LDB: ============= START OF LOAD BALANCING ============== 13661.3 LDB: Largest compute 4820 load 0.025686 is 21.7% of average load 0.118195 LDB: Average compute 0.001739 is 1.5% of average load 0.118195 LDB: TIME 13661.3 LOAD: AVG 0.118195 MAX 0.223841 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.723 MB LDB: TIME 13661.3 LOAD: AVG 0.118195 MAX 0.223841 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.965 MB LDB: TIME 13661.3 LOAD: AVG 0.118195 MAX 0.223841 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.965 MB LDB: ============== END OF LOAD BALANCING =============== 13661.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13661.3 PRESSURE: 4544400 -93.2154 58.1513 -39.3195 58.1525 -100.578 -14.4543 -39.3202 -14.4561 -316.106 GPRESSURE: 4544400 -73.0373 109.512 -60.9039 29.3333 -71.842 -84.3755 40.7019 71.9064 -271.146 PRESSAVG: 4544400 5.81871 35.0266 -7.65992 35.0265 -4.55828 -11.2081 -7.65984 -11.208 -61.0869 GPRESSAVG: 4544400 7.19244 33.4402 -8.94848 36.8663 -5.24968 -10.5492 -6.88919 -11.2804 -61.7079 TIMING: 4544400 CPU: 13658.2, 0.00311831/step Wall: 13658.2, 0.00311831/step, 0.394639 hours remaining, 206.765625 MB of memory in use. ENERGY: 4544400 724.9068 2106.1143 1911.3718 100.3924 -205947.4285 17739.1873 0.0000 0.0000 34282.0127 -149083.4433 299.3933 -183365.4560 -148979.5779 299.8608 -169.9665 -138.6751 560788.1274 -19.9421 -19.9217 PRESSURE: 4544600 20.9912 116.609 -93.7698 116.609 -77.0329 249.353 -93.7696 249.354 -21.2599 GPRESSURE: 4544600 89.1688 91.0091 -196.216 58.1259 -34.597 229.724 -44.9591 209.608 -36.7751 PRESSAVG: 4544600 39.8296 59.749 -24.6567 59.749 4.41506 67.9193 -24.6566 67.9193 -27.6266 GPRESSAVG: 4544600 40.2509 61.8994 -23.9016 59.3548 5.1127 68.2621 -27.2599 66.9738 -29.1651 TIMING: 4544600 CPU: 13658.8, 0.0030266/step Wall: 13658.8, 0.0030266/step, 0.382865 hours remaining, 206.765625 MB of memory in use. ENERGY: 4544600 740.2431 2057.1068 1937.3689 106.3353 -205831.1271 17768.8614 0.0000 0.0000 34306.1282 -148915.0833 299.6040 -183221.2116 -148817.4583 299.6655 -25.7672 5.9322 558774.5347 5.5394 5.3995 PRESSURE: 4544800 98.1268 -17.367 -1.66 -17.3675 188.79 -81.8024 -1.66073 -81.8024 60.8784 GPRESSURE: 4544800 142.087 41.3093 17.6689 47.7009 230.815 -9.99676 20.0971 -163.591 84.4602 PRESSAVG: 4544800 -22.0443 23.9898 13.7805 23.9898 -56.6061 71.4909 13.7805 71.4909 28.4591 GPRESSAVG: 4544800 -23.6141 21.4709 13.1431 25.293 -57.1489 71.0794 16.7642 72.5128 30.665 TIMING: 4544800 CPU: 13659.4, 0.00305585/step Wall: 13659.4, 0.00305585/step, 0.386395 hours remaining, 206.765625 MB of memory in use. ENERGY: 4544800 755.3097 2095.3437 1926.8149 106.7037 -206281.9322 18028.0972 0.0000 0.0000 34115.3145 -149254.3484 297.9375 -183369.6630 -149159.0449 299.6354 115.9318 152.4542 559228.3435 -16.7304 -16.6993 PRESSURE: 4545000 -46.8705 -55.5527 -245.14 -55.5519 8.55625 -111.092 -245.14 -111.092 -358.592 GPRESSURE: 4545000 9.46599 -3.1741 -353.005 -56.7964 36.7916 -47.7705 -126.568 -87.1386 -333.763 PRESSAVG: 4545000 53.0576 11.6446 21.0689 11.6445 19.5417 56.6635 21.0688 56.6634 -43.9308 GPRESSAVG: 4545000 53.5329 12.8661 18.8323 10.2727 18.9092 54.3799 21.3716 56.3015 -44.0036 TIMING: 4545000 CPU: 13660, 0.00306104/step Wall: 13660, 0.00306104/step, 0.386881 hours remaining, 206.765625 MB of memory in use. ENERGY: 4545000 764.6326 2122.6362 1930.3950 105.8967 -205886.1744 17723.6327 0.0000 0.0000 34191.4752 -149047.5060 298.6027 -183238.9812 -148949.8114 299.4937 -132.3021 -95.8351 558474.5949 9.5562 9.4795 PRESSURE: 4545200 -49.6444 126.308 -0.180506 126.309 -112.873 -100.373 -0.181862 -100.373 -280.618 GPRESSURE: 4545200 16.3808 11.3491 17.5412 162.875 -85.4654 -103.294 -109.891 -124.395 -275.58 PRESSAVG: 4545200 -21.7554 25.4131 -18.8744 25.413 42.6839 53.6602 -18.8744 53.6602 -8.94669 GPRESSAVG: 4545200 -21.2337 24.7936 -18.7108 25.8169 42.1533 55.1644 -17.3091 55.2439 -8.7372 TIMING: 4545200 CPU: 13660.6, 0.00308055/step Wall: 13660.6, 0.00308055/step, 0.389176 hours remaining, 206.765625 MB of memory in use. ENERGY: 4545200 745.6384 2063.7591 1970.0519 124.4692 -205818.7194 17722.5883 0.0000 0.0000 34371.8135 -148820.3989 300.1776 -183192.2124 -148727.2908 299.6100 -147.7116 -114.8882 558805.9362 3.9940 4.0608 PRESSURE: 4545400 133.981 37.4219 -67.8183 37.4214 -11.2197 55.4357 -67.8185 55.436 14.2006 GPRESSURE: 4545400 125.566 118.398 -38.6093 25.1896 46.6456 95.2372 -61.2923 1.92266 61.3301 PRESSAVG: 4545400 -5.27601 22.5637 -41.8077 22.5637 -17.2093 46.8681 -41.8078 46.8682 35.1947 GPRESSAVG: 4545400 -5.56219 22.4603 -38.1005 21.6547 -16.0115 44.6478 -44.1046 46.7345 34.0548 TIMING: 4545400 CPU: 13661.2, 0.00303686/step Wall: 13661.2, 0.00303686/step, 0.383488 hours remaining, 206.765625 MB of memory in use. ENERGY: 4545400 766.8023 2065.1727 1936.3228 110.9297 -206052.1039 17977.5010 0.0000 0.0000 34391.7313 -148803.6440 300.3515 -183195.3753 -148701.9400 300.1643 45.6539 77.8474 557708.2227 4.2364 4.1604 PRESSURE: 4545600 76.1875 -164.576 71.9994 -164.575 -411.782 85.0912 72.0003 85.0913 -114.437 GPRESSURE: 4545600 35.8108 -201.003 57.6855 -239.403 -354.631 120.316 2.81409 27.2014 -26.8435 PRESSAVG: 4545600 -1.01319 49.9648 -31.5623 49.9647 -34.9937 8.46365 -31.5622 8.46358 32.283 GPRESSAVG: 4545600 -1.82559 51.2449 -32.8587 49.9001 -34.8133 10.1446 -32.872 8.82828 32.9408 TIMING: 4545600 CPU: 13661.8, 0.00305964/step Wall: 13661.8, 0.00305964/step, 0.386195 hours remaining, 206.765625 MB of memory in use. ENERGY: 4545600 771.5821 1978.3978 1937.2056 102.4190 -205544.6604 17555.0500 0.0000 0.0000 34224.5564 -148975.4496 298.8916 -183200.0059 -148864.4353 299.4996 -150.0103 -115.2213 558636.7957 -1.2413 -1.2327 PRESSURE: 4545800 -305.761 -26.3047 73.0885 -26.3046 75.1533 132.001 73.0888 132.002 80.9879 GPRESSURE: 4545800 -215.374 43.597 18.6857 -72.8895 67.251 159.303 110.376 39.2977 98.9515 PRESSAVG: 4545800 83.5016 48.082 -12.8017 48.0819 -61.7259 -36.4034 -12.8017 -36.4033 -28.6989 GPRESSAVG: 4545800 84.2821 47.6522 -13.0841 48.4563 -62.6503 -34.0592 -11.3208 -38.3222 -28.1866 TIMING: 4545800 CPU: 13662.5, 0.00303768/step Wall: 13662.5, 0.00303768/step, 0.383253 hours remaining, 206.765625 MB of memory in use. ENERGY: 4545800 782.9969 2013.2320 1944.1552 110.9376 -205987.3207 17849.5892 0.0000 0.0000 34267.7459 -149018.6640 299.2687 -183286.4098 -148922.1122 299.5850 -49.8731 -16.3906 559353.5929 -2.3077 -2.1850 PRESSURE: 4546000 -80.3489 60.2405 106.391 60.2416 -29.2917 -159.318 106.391 -159.317 164.209 GPRESSURE: 4546000 -65.1327 59.4001 158.584 173.058 43.8293 -177.712 84.7624 -84.5384 168.945 PRESSAVG: 4546000 -57.3979 63.3123 -24.6747 63.3122 40.1251 32.2666 -24.6748 32.2666 51.2783 GPRESSAVG: 4546000 -57.9093 64.3596 -24.4164 63.6506 40.5715 29.2004 -25.5584 34.5182 51.5266 TIMING: 4546000 CPU: 13663.1, 0.00305865/step Wall: 13663.1, 0.00305865/step, 0.38573 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: 4546000 761.3182 2100.6045 1926.1811 126.6010 -205962.7281 17818.2966 0.0000 0.0000 34157.8281 -149071.8986 298.3088 -183229.7267 -148986.2535 299.1887 18.1894 49.2139 558339.0084 11.3351 11.3963 PRESSURE: 4546200 -26.4378 37.2124 -25.3029 37.2129 113.044 -94.9465 -25.303 -94.9465 139.891 GPRESSURE: 4546200 -20.4147 85.7146 -0.0979122 -6.85671 134.996 -47.2036 20.6354 -198.826 196.573 PRESSAVG: 4546200 -11.8507 -30.4 -3.30816 -30.4 2.65128 -21.1188 -3.3082 -21.1188 36.7221 GPRESSAVG: 4546200 -10.5982 -32.2409 -5.95852 -30.9308 2.45589 -19.5635 -1.31895 -23.2149 35.8189 TIMING: 4546200 CPU: 13663.7, 0.00305863/step Wall: 13663.7, 0.00305863/step, 0.385557 hours remaining, 206.765625 MB of memory in use. ENERGY: 4546200 753.1533 2131.4827 1926.3650 123.5014 -206197.3795 18047.2223 0.0000 0.0000 34071.7480 -149143.9068 297.5570 -183215.6548 -149057.7468 298.8768 75.4992 103.7181 559489.9667 9.1742 9.2255 PRESSURE: 4546400 79.3206 -34.4227 30.2547 -34.4223 -280.129 25.3725 30.2562 25.373 8.25144 GPRESSURE: 4546400 94.576 -63.8674 -34.3506 31.6896 -223.213 24.2392 103.901 9.45785 53.8751 PRESSAVG: 4546400 5.26463 56.7956 -15.1326 56.7957 -5.89547 2.94563 -15.1326 2.94564 -10.0592 GPRESSAVG: 4546400 4.74079 56.0482 -13.0085 58.1132 -4.44065 2.43792 -16.0619 3.3918 -11.1445 TIMING: 4546400 CPU: 13664.3, 0.00308796/step Wall: 13664.3, 0.00308796/step, 0.389084 hours remaining, 206.765625 MB of memory in use. ENERGY: 4546400 725.5297 2086.2249 1956.6513 106.4571 -206398.5513 17985.4259 0.0000 0.0000 34424.0193 -149114.2431 300.6335 -183538.2624 -149017.5551 299.0082 -64.1857 -24.9205 559297.6643 -3.5634 -3.6148 PRESSURE: 4546600 98.4294 52.3668 38.6304 52.3666 89.2475 -28.8818 38.6294 -28.8828 15.0336 GPRESSURE: 4546600 152.419 83.2606 92.1877 112.486 76.7799 -4.5478 0.225483 -6.69148 68.8028 PRESSAVG: 4546600 -9.09771 38.1087 -16.6062 38.1086 -40.7202 9.49894 -16.6062 9.49887 -10.7259 GPRESSAVG: 4546600 -8.69873 39.5526 -16.8956 38.6528 -41.6968 11.1712 -17.1908 8.73599 -9.96407 TIMING: 4546600 CPU: 13664.9, 0.00305497/step Wall: 13664.9, 0.00305497/step, 0.384757 hours remaining, 206.765625 MB of memory in use. ENERGY: 4546600 720.8900 2098.2879 1953.8797 120.4267 -206288.4020 18116.4136 0.0000 0.0000 34168.7794 -149109.7246 298.4044 -183278.5040 -149018.8665 299.1953 67.5702 99.3339 559861.2471 -20.1813 -20.1199 PRESSURE: 4546800 241.912 124.46 23.0853 124.462 22.8869 -26.8802 23.0844 -26.8796 442.461 GPRESSURE: 4546800 281.436 124.086 -54.0458 10.6765 28.3442 15.9213 4.35363 -63.3083 491.037 PRESSAVG: 4546800 41.5835 -9.12711 4.64164 -9.12703 15.1641 4.44517 4.64168 4.44512 -28.9232 GPRESSAVG: 4546800 41.1407 -9.46077 2.81599 -12.3977 15.2394 4.55005 5.70334 4.64417 -28.669 TIMING: 4546800 CPU: 13665.5, 0.00303877/step Wall: 13665.5, 0.00303877/step, 0.382548 hours remaining, 206.765625 MB of memory in use. ENERGY: 4546800 708.1387 2065.9802 1962.1367 120.1430 -206740.6463 18259.5515 0.0000 0.0000 34452.9405 -149171.7557 300.8861 -183624.6962 -149065.8653 299.2604 235.7533 266.9389 556094.1652 9.2748 9.2370 PRESSURE: 4547000 139.899 77.8865 157.065 77.8873 48.7195 17.4909 157.065 17.4887 5.99465 GPRESSURE: 4547000 122.165 130.264 111.087 88.6462 94.4549 44.6312 137.798 100.03 73.1394 PRESSAVG: 4547000 25.2556 6.56795 -22.6226 6.56788 1.6651 -88.1892 -22.6226 -88.1891 -50.7673 GPRESSAVG: 4547000 24.6596 5.95082 -21.3453 9.86586 2.08103 -90.7954 -22.8904 -85.3966 -51.0503 TIMING: 4547000 CPU: 13666.1, 0.00305092/step Wall: 13666.1, 0.00305092/step, 0.383908 hours remaining, 206.765625 MB of memory in use. ENERGY: 4547000 697.9784 2126.2775 1954.6836 112.3904 -206004.8671 17840.0236 0.0000 0.0000 34303.2750 -148970.2386 299.5790 -183273.5136 -148879.8617 299.3032 64.8711 96.5866 558167.7654 -7.9488 -8.1032 PRESSURE: 4547200 -0.483349 -65.5987 125.816 -65.5996 -8.80018 -55.7737 125.816 -55.7759 20.9952 GPRESSURE: 4547200 86.4635 -31.1807 59.0505 -18.9129 -69.3787 -102.312 192.668 -76.3531 91.4047 PRESSAVG: 4547200 48.186 -8.34478 32.692 -8.34474 -41.0139 -72.2805 32.6921 -72.2808 31.9178 GPRESSAVG: 4547200 47.9618 -7.35466 31.4282 -9.60772 -41.9952 -69.3493 33.8026 -74.5856 32.8415 TIMING: 4547200 CPU: 13666.7, 0.00303147/step Wall: 13666.7, 0.00303147/step, 0.381292 hours remaining, 206.765625 MB of memory in use. ENERGY: 4547200 740.6441 2113.6310 1951.8563 104.9232 -206340.2185 17853.9871 0.0000 0.0000 34421.9478 -149153.2289 300.6154 -183575.1767 -149052.5352 299.5913 3.9039 36.1632 558021.5577 13.0300 12.9360 PRESSURE: 4547400 84.795 -133.477 54.6976 -133.476 -25.0306 -46.4897 54.6974 -46.4897 -220.254 GPRESSURE: 4547400 107.066 -63.7311 72.2161 -188.194 3.05538 -86.1972 59.1001 -1.49707 -168.231 PRESSAVG: 4547400 16.8942 27.4971 60.1584 27.497 45.9972 -42.4721 60.1584 -42.472 -93.3941 GPRESSAVG: 4547400 16.8418 26.0229 59.9939 28.3801 47.5848 -46.5161 59.3649 -40.0834 -94.4114 TIMING: 4547400 CPU: 13667.3, 0.00305942/step Wall: 13667.3, 0.00305942/step, 0.384638 hours remaining, 206.765625 MB of memory in use. ENERGY: 4547400 734.3859 2086.1873 1928.5584 112.6419 -206155.0210 17822.6301 0.0000 0.0000 34402.5727 -149068.0447 300.4462 -183470.6174 -148971.6135 299.5546 -53.4964 -19.3698 558452.5782 -10.1676 -9.9949 PRESSURE: 4547600 131.709 87.641 -33.8145 87.6409 -232.135 63.1258 -33.8137 63.1257 -163.441 GPRESSURE: 4547600 223.488 67.647 -10.7472 165.347 -229.654 7.8491 -7.54794 86.5619 -148.915 PRESSAVG: 4547600 88.1526 -29.8362 14.697 -29.8362 -52.4633 -33.7639 14.6969 -33.764 -44.1238 GPRESSAVG: 4547600 90.0532 -28.1849 14.1951 -30.8087 -53.8021 -32.565 13.9746 -33.9035 -44.9606 TIMING: 4547600 CPU: 13668, 0.00304452/step Wall: 13668, 0.00304452/step, 0.382594 hours remaining, 206.765625 MB of memory in use. ENERGY: 4547600 780.0740 2092.8016 1951.6942 112.1243 -205829.0005 17627.6891 0.0000 0.0000 34262.2204 -149002.3970 299.2205 -183264.6173 -148910.5762 299.8988 -87.9560 -51.6937 557764.3841 -2.8115 -2.9032 PRESSURE: 4547800 -163.355 -27.4984 119.975 -27.4986 -354.568 -60.8095 119.975 -60.8096 38.2711 GPRESSURE: 4547800 -155.082 74.0454 162.077 -82.6953 -286.153 -77.1776 45.1668 -84.3407 65.633 PRESSAVG: 4547800 -35.2274 -15.7656 34.912 -15.7657 -15.3474 -6.49518 34.912 -6.49512 18.9507 GPRESSAVG: 4547800 -36.5755 -17.0077 38.3402 -16.8293 -13.968 -5.62844 34.7363 -8.395 19.2991 TIMING: 4547800 CPU: 13668.6, 0.00305956/step Wall: 13668.6, 0.00305956/step, 0.384315 hours remaining, 206.765625 MB of memory in use. ENERGY: 4547800 759.5172 2048.7835 1971.7022 123.2872 -205702.0137 17511.4952 0.0000 0.0000 34402.4426 -148884.7858 300.4451 -183287.2283 -148792.7487 300.5599 -159.8840 -125.2007 558972.6406 -10.5414 -10.4148 PRESSURE: 4548000 206.51 84.2582 68.4995 84.2578 92.7683 -78.4431 68.4997 -78.444 174.855 GPRESSURE: 4548000 252.029 71.1735 92.7707 96.2647 140.495 -86.2211 95.5785 -62.0083 174.27 PRESSAVG: 4548000 82.6964 -30.4508 21.531 -30.4509 -79.4745 0.0111035 21.5309 0.0110614 48.9887 GPRESSAVG: 4548000 82.9747 -30.0552 18.7788 -28.904 -79.3843 -2.4481 23.167 3.32884 48.2437 TIMING: 4548000 CPU: 13669.2, 0.00305266/step Wall: 13669.2, 0.00305266/step, 0.383279 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: 4548000 725.5847 2075.8206 1981.2469 116.7186 -206126.7552 17959.1670 0.0000 0.0000 34393.0388 -148875.1786 300.3630 -183268.2175 -148776.1756 300.1209 158.0444 188.9312 556724.8513 17.4035 17.2780 PRESSURE: 4548200 169.387 -29.1572 -17.3316 -29.1569 -88.596 -95.5718 -17.3313 -95.5701 48.8595 GPRESSURE: 4548200 222.516 -104.77 -150.945 41.99 -52.7761 22.4049 1.60105 -64.8962 58.5544 PRESSAVG: 4548200 26.4108 1.90703 26.2077 1.90705 -44.5912 5.24462 26.2077 5.24464 9.65295 GPRESSAVG: 4548200 26.1409 2.31902 28.3371 0.756206 -45.266 5.58966 25.3154 3.17724 10.5968 TIMING: 4548200 CPU: 13669.8, 0.00303822/step Wall: 13669.8, 0.00303822/step, 0.381296 hours remaining, 206.765625 MB of memory in use. ENERGY: 4548200 744.0813 2098.3592 1931.0568 126.1676 -205637.2927 17650.8873 0.0000 0.0000 34236.4257 -148850.3149 298.9952 -183086.7406 -148765.8932 300.5064 43.2167 76.0980 556095.4737 -2.8425 -2.8428 LDB: ============= START OF LOAD BALANCING ============== 13673.2 LDB: ============== END OF LOAD BALANCING =============== 13673.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13673.2 LDB: ============= START OF LOAD BALANCING ============== 13673.5 LDB: Largest compute 4820 load 0.026522 is 22.5% of average load 0.118093 LDB: Average compute 0.001743 is 1.5% of average load 0.118093 LDB: TIME 13673.5 LOAD: AVG 0.118093 MAX 0.222238 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.301 MB LDB: TIME 13673.5 LOAD: AVG 0.118093 MAX 0.222238 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.504 MB LDB: TIME 13673.5 LOAD: AVG 0.118093 MAX 0.222238 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.504 MB LDB: ============== END OF LOAD BALANCING =============== 13673.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13673.5 PRESSURE: 4548400 28.0365 184.117 81.1172 184.117 -23.5319 101.909 81.1182 101.909 251.141 GPRESSURE: 4548400 61.7932 190.7 107.141 224.297 31.4873 56.8039 68.0662 100.371 260.082 PRESSAVG: 4548400 94.7369 -14.3751 41.8206 -14.3751 -44.6806 5.02326 41.8207 5.02329 -5.8519 GPRESSAVG: 4548400 94.6957 -12.5389 42.5313 -14.424 -44.9149 6.4918 40.0662 4.58095 -5.37432 TIMING: 4548400 CPU: 13670.4, 0.00310149/step Wall: 13670.4, 0.00310149/step, 0.389064 hours remaining, 207.191406 MB of memory in use. ENERGY: 4548400 737.8879 2074.2619 1972.0623 117.3845 -205912.7978 17833.8683 0.0000 0.0000 34231.7537 -148945.5792 298.9544 -183177.3329 -148849.0346 300.3861 85.2150 117.7875 557099.4085 14.7348 14.8022 PRESSURE: 4548600 -200.254 -45.1368 123.026 -45.1373 -23.1535 126.887 123.026 126.888 -293.671 GPRESSURE: 4548600 -235.412 -23.3374 143.891 10.7309 10.8488 138.625 156.745 179.134 -206.819 PRESSAVG: 4548600 -26.2121 14.038 15.5518 14.0379 4.60262 46.3313 15.5519 46.3314 -9.16185 GPRESSAVG: 4548600 -25.5002 13.9921 15.3981 15.1491 3.39789 43.7532 14.4512 47.9861 -8.58672 TIMING: 4548600 CPU: 13671, 0.00303478/step Wall: 13671, 0.00303478/step, 0.380527 hours remaining, 207.238281 MB of memory in use. ENERGY: 4548600 756.1440 2104.0455 1961.0803 113.4218 -205606.3527 17365.6417 0.0000 0.0000 34390.9154 -148915.1039 300.3444 -183306.0194 -148820.8093 299.1834 -172.3596 -143.7941 557432.0101 -10.2571 -10.2297 PRESSURE: 4548800 -217.444 -20.6834 71.475 -20.6824 -88.3937 177.868 71.4751 177.868 55.4163 GPRESSURE: 4548800 -186.281 -7.20623 40.5869 -46.9501 -22.188 214.793 58.0083 99.671 64.4523 PRESSAVG: 4548800 -20.2719 12.4415 -24.1559 12.4416 37.9934 53.9044 -24.156 53.9045 -0.695402 GPRESSAVG: 4548800 -20.32 10.4014 -25.5589 13.9287 38.9164 56.0357 -21.6736 51.3076 -1.55075 TIMING: 4548800 CPU: 13671.6, 0.0030564/step Wall: 13671.6, 0.0030564/step, 0.383068 hours remaining, 207.238281 MB of memory in use. ENERGY: 4548800 747.7493 2044.3353 1945.9373 109.0702 -205919.2230 17626.9011 0.0000 0.0000 34553.4868 -148891.7430 301.7642 -183445.2298 -148800.5145 300.6064 -83.4737 -48.0056 558181.6582 5.6753 5.6819 PRESSURE: 4549000 70.7795 -70.0494 -7.48469 -70.05 -183.575 124.928 -7.48357 124.928 -111.624 GPRESSURE: 4549000 69.6238 -115.799 10.839 -150.607 -116.869 111.928 -1.34455 86.1475 -68.036 PRESSAVG: 4549000 -46.3155 31.4189 -6.36738 31.4189 -38.609 73.6825 -6.36738 73.6823 40.4877 GPRESSAVG: 4549000 -45.298 33.0169 -4.88915 29.7576 -39.1978 72.5374 -7.85981 74.5267 40.5027 TIMING: 4549000 CPU: 13672.2, 0.0030377/step Wall: 13672.2, 0.0030377/step, 0.380557 hours remaining, 207.238281 MB of memory in use. ENERGY: 4549000 771.8179 2125.4807 1951.4192 94.4690 -205967.7275 17698.6673 0.0000 0.0000 34385.3248 -148940.5486 300.2956 -183325.8734 -148845.0478 300.1108 -74.8065 -38.4271 558238.0790 -14.8123 -14.6643 PRESSURE: 4549200 141.269 -66.3081 -44.5254 -66.3096 318.275 172.651 -44.5247 172.651 229.494 GPRESSURE: 4549200 151.16 -67.4593 82.0947 -66.2122 346.098 256.655 -59.5237 153.541 285.167 PRESSAVG: 4549200 -32.8574 -13.9407 41.8482 -13.9408 4.32697 28.0845 41.8482 28.0845 12.1231 GPRESSAVG: 4549200 -32.9117 -14.9322 41.5184 -12.8311 4.36002 27.4304 40.6725 31.5132 12.3136 TIMING: 4549200 CPU: 13672.8, 0.00306877/step Wall: 13672.8, 0.00306877/step, 0.384279 hours remaining, 207.238281 MB of memory in use. ENERGY: 4549200 735.2580 2134.9938 1941.0452 115.2405 -206178.6130 17949.3935 0.0000 0.0000 34105.0441 -149197.6378 297.8478 -183302.6819 -149105.5393 298.9626 229.6794 260.8082 556900.3714 -5.4691 -5.4127 PRESSURE: 4549400 -9.34322 -79.8264 12.7831 -79.8265 -119.642 -41.2653 12.7829 -41.2667 -122.182 GPRESSURE: 4549400 36.3983 -24.9845 4.10947 -120.694 -102.497 -50.4943 -24.526 -44.5486 -96.8835 PRESSAVG: 4549400 38.7272 40.1497 23.3025 40.1497 -84.1105 -12.355 23.3025 -12.355 89.5553 GPRESSAVG: 4549400 37.7893 40.9789 22.4421 38.873 -83.8003 -12.8789 24.0398 -17.1166 90.2767 TIMING: 4549400 CPU: 13673.5, 0.00305406/step Wall: 13673.5, 0.00305406/step, 0.382267 hours remaining, 207.238281 MB of memory in use. ENERGY: 4549400 718.5167 2100.4132 1954.4174 106.4433 -206044.3786 17579.2408 0.0000 0.0000 34329.8129 -149255.5343 299.8108 -183585.3471 -149161.8850 299.0475 -83.7224 -54.3273 557460.4633 14.7240 14.7552 PRESSURE: 4549600 22.3003 106.613 -30.7743 106.613 174.722 137.181 -30.774 137.182 101.724 GPRESSURE: 4549600 66.3144 57.7162 -129.035 137.72 235.548 100.054 26.1181 137.304 95.0104 PRESSAVG: 4549600 -3.48859 54.6207 -6.75789 54.6208 -33.9716 -35.4967 -6.75795 -35.4968 25.9734 GPRESSAVG: 4549600 -2.9007 54.427 -8.80352 57.2015 -34.2302 -32.6091 -3.53941 -33.4474 25.8903 TIMING: 4549600 CPU: 13674.1, 0.0030738/step Wall: 13674.1, 0.0030738/step, 0.384567 hours remaining, 207.238281 MB of memory in use. ENERGY: 4549600 712.3691 2125.1138 1953.2546 123.6976 -206331.0764 17934.5528 0.0000 0.0000 34345.2912 -149136.7972 299.9460 -183482.0885 -149043.7260 299.1113 99.5821 132.2911 557481.8600 -3.8289 -3.7469 PRESSURE: 4549800 356.198 2.4679 69.5881 2.46796 309.443 -81.0161 69.5883 -81.0167 202.417 GPRESSURE: 4549800 376.124 -17.5752 52.8824 20.9472 354.53 -113.871 6.3406 -38.2355 232.089 PRESSAVG: 4549800 -35.803 15.6059 -21.4047 15.6059 -35.6951 42.5121 -21.4048 42.5121 25.8026 GPRESSAVG: 4549800 -35.6097 14.2242 -21.1859 12.8124 -34.7447 41.859 -22.5743 41.3979 24.801 TIMING: 4549800 CPU: 13674.7, 0.00304207/step Wall: 13674.7, 0.00304207/step, 0.380428 hours remaining, 207.238281 MB of memory in use. ENERGY: 4549800 725.5591 2085.6419 1974.7456 111.9111 -206718.5973 18281.2097 0.0000 0.0000 34477.7770 -149061.7529 301.1030 -183539.5298 -148969.1682 299.5022 289.3527 320.9146 556033.1323 -15.2318 -15.1845 PRESSURE: 4550000 -120 -64.2862 -112.189 -64.2851 126.222 32.9173 -112.189 32.9172 -122.701 GPRESSURE: 4550000 -95.0806 -92.336 26.5757 4.24646 157.931 55.6311 -192.197 19.5706 -75.1278 PRESSAVG: 4550000 -32.3887 53.2376 -12.2069 53.2377 22.8253 70.0523 -12.2069 70.0523 44.915 GPRESSAVG: 4550000 -31.7769 54.3139 -13.6302 56.4566 22.3116 70.5678 -12.4666 69.1033 45.1671 TIMING: 4550000 CPU: 13675.3, 0.00305039/step Wall: 13675.3, 0.00305039/step, 0.381298 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: 4550000 772.8586 2098.7372 1990.6874 121.4697 -206256.9249 17761.9950 0.0000 0.0000 34329.3398 -149181.8373 299.8067 -183511.1771 -149087.3331 299.5709 -38.8264 -4.0925 556994.8271 11.7839 11.9006 PRESSURE: 4550200 -251.923 -184.724 79.8703 -184.723 284.072 -65.0601 79.8718 -65.0606 197.606 GPRESSURE: 4550200 -214.153 -146.719 127.859 -229.646 295.691 -19.4515 52.7427 -53.6574 253.304 PRESSAVG: 4550200 -28.61 15.101 0.682549 15.1009 7.45297 35.7206 0.682579 35.7206 -24.489 GPRESSAVG: 4550200 -29.0061 14.4298 3.01089 13.3518 7.85796 33.8495 -0.637539 37.8217 -24.2275 TIMING: 4550200 CPU: 13675.9, 0.00306989/step Wall: 13675.9, 0.00306989/step, 0.383566 hours remaining, 207.238281 MB of memory in use. ENERGY: 4550200 734.2898 2139.7630 1965.4043 121.0739 -205925.8142 17608.4601 0.0000 0.0000 34332.0518 -149024.7712 299.8303 -183356.8230 -148935.6693 299.0838 76.5849 111.6140 555929.7890 -15.2153 -15.1252 PRESSURE: 4550400 -327.158 -28.2706 21.827 -28.2709 265.751 -268.255 21.8289 -268.256 158.415 GPRESSURE: 4550400 -232.914 50.1993 -11.0713 1.48301 277.773 -236.039 85.5175 -274.52 160.137 PRESSAVG: 4550400 -84.9415 -17.3319 -29.4997 -17.3319 38.7852 -11.5287 -29.4998 -11.5288 75.0477 GPRESSAVG: 4550400 -85.5498 -18.2054 -31.4837 -18.6204 39.6372 -10.8233 -27.8905 -12.7563 74.8454 TIMING: 4550400 CPU: 13676.5, 0.00305899/step Wall: 13676.5, 0.00305899/step, 0.382034 hours remaining, 207.238281 MB of memory in use. ENERGY: 4550400 792.8477 2118.3007 1950.9334 119.7372 -206298.0040 17979.0308 0.0000 0.0000 34496.9540 -148840.2002 301.2705 -183337.1542 -148740.3611 300.3511 32.3359 68.3317 555710.2455 9.6305 9.6443 PRESSURE: 4550600 -144.665 7.25404 78.4342 7.25293 14.4702 4.2703 78.4346 4.26955 118.927 GPRESSURE: 4550600 -101.597 62.2391 29.6405 -56.2929 100.327 7.46901 17.2072 12.8385 88.1751 PRESSAVG: 4550600 -49.8844 -82.4732 7.72134 -82.4732 -7.30276 -83.134 7.72134 -83.134 40.782 GPRESSAVG: 4550600 -49.4205 -79.8057 10.1326 -82.8065 -7.66426 -84.9346 5.91581 -82.5448 40.9352 TIMING: 4550600 CPU: 13677.1, 0.00304504/step Wall: 13677.1, 0.00304505/step, 0.380123 hours remaining, 207.238281 MB of memory in use. ENERGY: 4550600 780.2049 2168.2024 1962.7975 123.0345 -205980.2436 17646.3521 0.0000 0.0000 34388.4755 -148911.1768 300.3231 -183299.6523 -148814.9388 300.1792 -3.7559 28.9682 556782.0689 -5.4684 -5.3832 PRESSURE: 4550800 -14.6956 39.1582 -62.3095 39.1581 169.898 -120.072 -62.3084 -120.073 68.3918 GPRESSURE: 4550800 23.1041 49.0803 1.16938 -18.5025 189.657 -121.941 -23.7933 -125.994 117.868 PRESSAVG: 4550800 -20.9155 -64.6163 -18.1207 -64.6163 -21.0653 -47.9436 -18.1207 -47.9436 53.1569 GPRESSAVG: 4550800 -20.8878 -65.3728 -18.2432 -63.1197 -22.3349 -47.5768 -17.206 -49.657 54.2216 TIMING: 4550800 CPU: 13677.7, 0.00306557/step Wall: 13677.7, 0.00306557/step, 0.382515 hours remaining, 207.238281 MB of memory in use. ENERGY: 4550800 760.8288 2105.3715 1944.8664 131.0212 -206142.6917 17880.6710 0.0000 0.0000 34370.1988 -148949.7341 300.1635 -183319.9328 -148858.0817 299.9618 74.5313 110.2098 556989.7595 3.7254 3.6663 PRESSURE: 4551000 201.436 54.1747 163.143 54.1738 -160.48 -3.93242 163.143 -3.93297 74.2006 GPRESSURE: 4551000 186.109 15.4819 195.602 63.5632 -101.468 -57.6664 48.0352 32.2768 129.775 PRESSAVG: 4551000 20.8888 -43.353 51.2196 -43.353 -19.3328 -23.6262 51.2196 -23.6262 -3.38902 GPRESSAVG: 4551000 21.302 -44.7303 51.6285 -44.653 -18.6015 -22.932 50.0549 -20.8826 -4.43 TIMING: 4551000 CPU: 13678.3, 0.0030506/step Wall: 13678.3, 0.0030506/step, 0.380478 hours remaining, 207.238281 MB of memory in use. ENERGY: 4551000 780.1794 2088.6834 1942.2902 112.1275 -206397.1767 17923.4885 0.0000 0.0000 34329.7529 -149220.6548 299.8103 -183550.4078 -149123.2920 299.6789 38.3857 71.4721 556463.8485 -0.6110 -0.5765 PRESSURE: 4551200 23.1383 -60.0956 -193.285 -60.095 50.214 26.2757 -193.284 26.275 -37.8179 GPRESSURE: 4551200 78.133 -63.7622 -127.798 -34.2451 7.46311 25.2706 -255.848 101.775 44.9891 PRESSAVG: 4551200 -11.9146 -34.1115 -32.1487 -34.1115 30.4721 -10.4271 -32.1488 -10.4271 25.5026 GPRESSAVG: 4551200 -10.9303 -32.9005 -31.0592 -33.3079 28.4987 -9.80192 -31.002 -10.6225 26.7759 TIMING: 4551200 CPU: 13678.9, 0.00300776/step Wall: 13678.9, 0.00300776/step, 0.374967 hours remaining, 207.238281 MB of memory in use. ENERGY: 4551200 748.5793 2088.2885 1943.6019 105.3130 -206319.2729 18088.5992 0.0000 0.0000 34167.6098 -149177.2813 298.3942 -183344.8911 -149080.8551 299.1663 11.8448 43.5284 557625.9493 14.6867 14.7814 PRESSURE: 4551400 -24.1546 -39.4195 -201.882 -39.42 -11.7838 86.5376 -201.883 86.5375 18.6224 GPRESSURE: 4551400 58.2177 -25.7319 -260.98 -52.795 -42.7561 117.099 -175.922 106.091 66.0448 PRESSAVG: 4551400 -31.0549 18.0172 -1.41065 18.0174 8.0811 32.9759 -1.41065 32.9759 -9.53221 GPRESSAVG: 4551400 -32.9827 17.0062 -1.24606 17.2566 9.54863 31.69 -3.22049 32.9587 -8.68535 TIMING: 4551400 CPU: 13679.5, 0.00300403/step Wall: 13679.5, 0.00300403/step, 0.374336 hours remaining, 207.238281 MB of memory in use. ENERGY: 4551400 751.8302 2113.6526 1943.7886 103.3947 -206302.7908 17887.4401 0.0000 0.0000 34384.0726 -149118.6120 300.2847 -183502.6846 -149016.8184 299.8812 -5.7720 27.1688 557453.1250 -10.8353 -10.7065 PRESSURE: 4551600 -114.934 -1.77025 -148.568 -1.77019 -126.157 -93.6748 -148.569 -93.6755 137.762 GPRESSURE: 4551600 -20.3716 45.6541 -111.925 -46.6723 -41.1543 -218.185 -228.763 28.3631 60.6318 PRESSAVG: 4551600 6.06565 14.4691 -22.9837 14.469 -1.14558 2.35063 -22.9836 2.35058 -20.5361 GPRESSAVG: 4551600 7.80435 15.8086 -26.4723 14.7408 -1.59217 4.62666 -20.8477 0.605362 -21.6156 TIMING: 4551600 CPU: 13680.2, 0.00302387/step Wall: 13680.2, 0.00302387/step, 0.37664 hours remaining, 207.238281 MB of memory in use. ENERGY: 4551600 799.4911 2109.2939 1969.9112 108.6807 -206255.2555 17894.8866 0.0000 0.0000 34438.5454 -148934.4466 300.7604 -183372.9920 -148836.2880 300.4674 -34.4431 -0.2980 558326.0561 -5.2054 -5.1345 PRESSURE: 4551800 -220.647 138.952 -93.4532 138.952 -129.471 15.8528 -93.453 15.8529 -64.883 GPRESSURE: 4551800 -169.051 206.794 -100.01 114.481 -173.022 101.113 -101.113 33.052 41.9215 PRESSAVG: 4551800 31.5233 6.81661 5.54375 6.81657 54.8708 -27.8532 5.54381 -27.8531 -44.8221 GPRESSAVG: 4551800 30.4662 6.17127 8.28834 8.64372 55.6874 -27.7722 5.43424 -28.0023 -44.4518 TIMING: 4551800 CPU: 13680.8, 0.00301281/step Wall: 13680.8, 0.00301281/step, 0.375095 hours remaining, 207.238281 MB of memory in use. ENERGY: 4551800 761.0019 2114.0103 1919.6216 107.8438 -206042.0190 17822.1393 0.0000 0.0000 34357.0021 -148960.3999 300.0482 -183317.4021 -148870.2764 300.1389 -138.3339 -100.0506 559318.8406 13.8573 13.9006 PRESSURE: 4552000 -427.577 -104.103 -192.409 -104.104 -359.215 -87.197 -192.408 -87.1977 -302.457 GPRESSURE: 4552000 -399.836 -78.7267 -138.124 -129.069 -303.802 -26.6536 -132.873 -127.347 -282.172 PRESSAVG: 4552000 -18.2927 27.5526 17.4157 27.5527 -12.8197 1.04011 17.4158 1.04014 -38.7482 GPRESSAVG: 4552000 -17.3347 26.1044 16.109 26.5404 -12.1403 -0.0987147 18.0641 2.31801 -39.9471 TIMING: 4552000 CPU: 13681.4, 0.00302037/step Wall: 13681.4, 0.00302037/step, 0.375869 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: 4552000 756.5376 2164.9303 1928.5261 119.3197 -205341.9586 17171.1294 0.0000 0.0000 34288.3613 -148913.1542 299.4488 -183201.5155 -148819.9581 299.6360 -363.0829 -328.6034 558970.9157 -23.2869 -23.1407 PRESSURE: 4552200 148.727 -44.8646 68.7948 -44.8635 -203.124 133.857 68.796 133.858 -171.143 GPRESSURE: 4552200 117.632 -105.473 -11.5342 45.5002 -131.757 111.693 83.1516 108.267 -118.398 PRESSAVG: 4552200 36.0438 -41.0101 9.4539 -41.0101 -6.80418 -28.1417 9.45386 -28.1417 -30.4238 GPRESSAVG: 4552200 35.3806 -40.3032 10.6596 -39.7754 -8.07817 -26.5085 8.7304 -29.9455 -28.9472 TIMING: 4552200 CPU: 13682, 0.00306248/step Wall: 13682, 0.00306248/step, 0.380939 hours remaining, 207.238281 MB of memory in use. ENERGY: 4552200 765.6288 2125.2371 1960.9251 118.9299 -205745.1851 17581.8994 0.0000 0.0000 34210.4735 -148982.0913 298.7686 -183192.5648 -148890.9278 299.5950 -75.1799 -44.1744 557416.6462 -0.3947 -0.5483 LDB: ============= START OF LOAD BALANCING ============== 13685.4 LDB: ============== END OF LOAD BALANCING =============== 13685.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13685.4 LDB: ============= START OF LOAD BALANCING ============== 13685.7 LDB: Largest compute 4820 load 0.024847 is 21.0% of average load 0.118079 LDB: Average compute 0.001738 is 1.5% of average load 0.118079 LDB: TIME 13685.7 LOAD: AVG 0.118079 MAX 0.218889 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.828 MB LDB: TIME 13685.7 LOAD: AVG 0.118079 MAX 0.218889 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.031 MB LDB: TIME 13685.7 LOAD: AVG 0.118079 MAX 0.218889 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.031 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13685.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13685.7 PRESSURE: 4552400 16.3781 26.6327 -183.732 26.6329 -100.975 36.9925 -183.734 36.9941 -419.271 GPRESSURE: 4552400 34.7129 -7.84793 -146.725 15.8829 -11.1779 -24.0296 -122.364 39.5893 -429.21 PRESSAVG: 4552400 38.2268 -3.68627 -6.95171 -3.6863 -24.4211 36.4526 -6.95162 36.4528 -22.5956 GPRESSAVG: 4552400 38.3715 -2.41537 -7.21531 -5.10875 -23.7679 36.2397 -6.17089 36.118 -23.618 TIMING: 4552400 CPU: 13682.6, 0.0030922/step Wall: 13682.6, 0.0030922/step, 0.384464 hours remaining, 208.121094 MB of memory in use. ENERGY: 4552400 764.4037 2113.1513 1946.0239 105.1285 -205810.1556 17536.1383 0.0000 0.0000 34365.8821 -148979.4277 300.1258 -183345.3098 -148874.7627 299.7506 -167.9559 -135.2251 558167.1048 -2.9300 -3.0048 PRESSURE: 4552600 -102.798 -21.9629 83.9698 -21.9619 42.6082 3.74046 83.969 3.74141 -159.517 GPRESSURE: 4552600 -121.099 -4.41613 60.974 -16.7946 93.0899 26.2487 16.3881 -8.72477 -87.3189 PRESSAVG: 4552600 -51.4993 -33.6674 -23.4103 -33.6674 1.34247 27.2946 -23.4104 27.2946 36.7632 GPRESSAVG: 4552600 -51.717 -33.8526 -22.7888 -33.4658 1.47865 27.1214 -26.5669 28.2341 36.9398 TIMING: 4552600 CPU: 13683.2, 0.0030146/step Wall: 13683.2, 0.0030146/step, 0.374647 hours remaining, 208.121094 MB of memory in use. ENERGY: 4552600 744.3218 2132.6888 1959.1436 118.0198 -205836.3048 17649.3343 0.0000 0.0000 34274.0465 -148958.7500 299.3238 -183232.7965 -148861.0975 299.9462 -73.2357 -38.4427 558027.8847 -4.4645 -4.4328 PRESSURE: 4552800 24.2617 -31.7746 93.7161 -31.7752 90.4686 89.2597 93.7155 89.2594 -231.618 GPRESSURE: 4552800 28.8276 -58.5649 75.3753 4.11169 144.56 143.144 102.662 124.481 -181.917 PRESSAVG: 4552800 -33.3786 -25.7802 9.43338 -25.7802 35.0372 0.623207 9.43331 0.62334 1.69739 GPRESSAVG: 4552800 -32.353 -24.5928 8.59037 -25.0443 34.5153 -0.405314 12.9054 -1.23398 1.62113 TIMING: 4552800 CPU: 13683.8, 0.00302931/step Wall: 13683.8, 0.00302931/step, 0.376308 hours remaining, 208.121094 MB of memory in use. ENERGY: 4552800 764.8016 2156.3801 1931.1030 101.0265 -205949.7674 17654.7462 0.0000 0.0000 34324.7423 -149016.9677 299.7665 -183341.7100 -148919.9047 299.8466 -38.9626 -2.8432 557748.7675 1.1187 1.2612 PRESSURE: 4553000 -216.456 -1.28982 -25.4423 -1.2896 -51.8338 -83.7043 -25.4435 -83.7033 -11.0148 GPRESSURE: 4553000 -214 -105.489 -28.8444 35.8321 12.0518 -91.7588 -15.4007 -57.0153 26.0498 PRESSAVG: 4553000 -66.8874 5.42596 -17.8906 5.42601 31.8184 19.581 -17.8906 19.581 64.1059 GPRESSAVG: 4553000 -68.2363 4.68938 -16.2605 4.15256 32.8284 20.6516 -17.8756 21.1991 64.9 TIMING: 4553000 CPU: 13684.4, 0.00303445/step Wall: 13684.4, 0.00303445/step, 0.376778 hours remaining, 208.121094 MB of memory in use. ENERGY: 4553000 711.4351 2156.7843 1967.2472 124.9727 -205601.7458 17570.9056 0.0000 0.0000 34051.2617 -149019.1392 297.3781 -183070.4009 -148921.9593 300.1411 -93.1014 -58.6327 558631.2828 9.6789 9.8307 PRESSURE: 4553200 96.4518 112.36 92.652 112.36 -31.3756 37.7812 92.6521 37.7815 -9.24929 GPRESSURE: 4553200 122.098 126.722 63.1592 146.638 -0.358944 45.8211 93.5446 52.6521 45.6383 PRESSAVG: 4553200 -33.0463 -48.3562 48.0553 -48.3562 3.56419 -34.013 48.0553 -34.0129 21.6597 GPRESSAVG: 4553200 -32.5281 -49.0316 46.9001 -47.7208 2.48416 -33.7915 48.8441 -34.196 21.768 TIMING: 4553200 CPU: 13685, 0.0030144/step Wall: 13685, 0.0030144/step, 0.374121 hours remaining, 208.121094 MB of memory in use. ENERGY: 4553200 783.4612 2160.5033 1952.8306 109.6319 -206071.9294 17740.8269 0.0000 0.0000 34237.6777 -149086.9977 299.0062 -183324.6754 -148985.4164 299.8820 18.6090 55.7926 556870.8505 -2.6075 -2.7587 PRESSURE: 4553400 -287.932 -21.6993 -175.237 -21.7003 -158.885 -204.882 -175.236 -204.883 -390.478 GPRESSURE: 4553400 -249.266 51.3184 -187.635 -69.246 -112.138 -106.452 -153.952 -271.002 -387.585 PRESSAVG: 4553400 20.2666 -6.31007 -7.4639 -6.31015 -2.04535 45.5759 -7.46384 45.5757 -17.5244 GPRESSAVG: 4553400 20.6452 -6.07991 -6.87432 -6.98563 -1.74559 44.9863 -9.93933 46.9537 -17.8736 TIMING: 4553400 CPU: 13685.6, 0.00304074/step Wall: 13685.6, 0.00304074/step, 0.377221 hours remaining, 208.375000 MB of memory in use. ENERGY: 4553400 716.7515 2122.0633 1947.1684 107.0368 -205712.8011 17372.3512 0.0000 0.0000 34365.1990 -149082.2310 300.1198 -183447.4300 -148987.9436 299.3139 -279.0980 -249.6629 557461.0744 0.2323 0.3420 PRESSURE: 4553600 -221.012 82.4834 -85.3918 82.483 -41.8105 124.319 -85.3918 124.319 -84.5716 GPRESSURE: 4553600 -162.001 146.729 -148.865 -32.7697 -27.2662 140.551 -72.2348 162.133 -48.8099 PRESSAVG: 4553600 -9.19877 48.6839 -56.5453 48.6839 34.9799 -5.01877 -56.5454 -5.01876 13.8937 GPRESSAVG: 4553600 -10.0165 48.2405 -55.799 49.9417 34.9241 -6.24079 -56.3323 -5.55158 14.4015 TIMING: 4553600 CPU: 13686.2, 0.00303575/step Wall: 13686.2, 0.00303575/step, 0.376432 hours remaining, 208.375000 MB of memory in use. ENERGY: 4553600 769.9272 2095.9669 1938.6613 109.6225 -205706.1968 17521.2468 0.0000 0.0000 34235.5793 -149035.1929 298.9878 -183270.7722 -148938.9552 299.2454 -115.7981 -79.3590 556780.6550 13.2249 13.1030 PRESSURE: 4553800 386.921 -14.4222 -286.272 -14.4229 162.62 66.7143 -286.271 66.7163 128.051 GPRESSURE: 4553800 433.49 94.6867 -274.807 -144.342 138.478 0.69264 -275.083 38.1851 199.806 PRESSAVG: 4553800 29.9712 33.5469 -41.8752 33.5469 -32.2946 32.2372 -41.8752 32.2372 -43.5418 GPRESSAVG: 4553800 30.2048 34.2865 -42.8209 32.6169 -30.6864 32.3041 -39.8187 32.6725 -45.2946 TIMING: 4553800 CPU: 13686.8, 0.00304574/step Wall: 13686.8, 0.00304574/step, 0.377503 hours remaining, 208.375000 MB of memory in use. ENERGY: 4553800 721.1816 2156.7411 1924.1352 120.2268 -206147.1524 18062.3153 0.0000 0.0000 34342.0765 -148820.4759 299.9179 -183162.5523 -148722.3103 300.1686 225.8641 257.2581 556696.4166 -15.2884 -15.2587 PRESSURE: 4554000 195.84 -21.7187 -51.4872 -21.719 -69.1129 8.78628 -51.4883 8.78742 -107.508 GPRESSURE: 4554000 164.382 52.4098 -73.5157 -86.0159 -3.9678 19.5239 48.7606 -57.0781 -52.2092 PRESSAVG: 4554000 77.9324 88.205 4.91099 88.2049 18.3379 30.6054 4.91095 30.6055 -67.5969 GPRESSAVG: 4554000 78.3462 87.1938 3.13717 87.9228 16.4569 32.1549 2.93729 30.6802 -66.317 TIMING: 4554000 CPU: 13687.4, 0.00304848/step Wall: 13687.4, 0.00304848/step, 0.377673 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: 4554000 772.8794 2157.4869 1927.4829 122.9958 -206215.3762 17757.9950 0.0000 0.0000 34388.9477 -149087.5886 300.3272 -183476.5362 -148996.4543 299.7930 6.4063 36.0683 556575.8816 9.5578 9.4954 PRESSURE: 4554200 -132.453 63.2023 -155.871 63.2021 -132.99 25.4527 -155.871 25.4511 -58.4827 GPRESSURE: 4554200 -126.884 154.203 -213.979 19.3127 -88.5302 34.4648 -215.271 -18.3004 -19.0085 PRESSAVG: 4554200 24.1908 20.5112 -8.78783 20.5112 -41.9286 -15.1497 -8.78789 -15.1497 -13.4198 GPRESSAVG: 4554200 24.3941 19.4858 -4.29431 19.9383 -40.9154 -16.8699 -8.97443 -16.1312 -14.4221 TIMING: 4554200 CPU: 13688.1, 0.00304698/step Wall: 13688.1, 0.00304698/step, 0.377318 hours remaining, 208.375000 MB of memory in use. ENERGY: 4554200 750.6439 2130.4138 1938.4252 105.1768 -205772.5231 17504.2132 0.0000 0.0000 34174.3650 -149169.2851 298.4532 -183343.6501 -149066.9474 298.7698 -107.9752 -78.1409 557181.9099 -10.3859 -10.3145 PRESSURE: 4554400 174.266 51.1074 -9.01378 51.1083 164.273 -70.5371 -9.01341 -70.5374 -86.0651 GPRESSURE: 4554400 219.519 33.4192 -88.2215 80.9812 165.444 -70.7313 9.79928 -85.9275 -34.0589 PRESSAVG: 4554400 111.487 17.6441 -18.5538 17.6442 -49.4385 4.09397 -18.5538 4.09398 -49.4258 GPRESSAVG: 4554400 110.569 20.5186 -23.714 18.0461 -49.2751 4.8123 -15.8701 5.3794 -48.5144 TIMING: 4554400 CPU: 13688.7, 0.00304502/step Wall: 13688.7, 0.00304502/step, 0.376906 hours remaining, 208.375000 MB of memory in use. ENERGY: 4554400 741.3197 2125.3058 1955.8029 107.5864 -206493.6722 17918.5397 0.0000 0.0000 34305.0129 -149340.1049 299.5942 -183645.1178 -149249.0963 299.7591 84.1577 116.9683 557799.8589 4.2075 4.2598 PRESSURE: 4554600 77.4638 57.8669 -184.094 57.8657 -123.512 93.2045 -184.093 93.2069 -159.01 GPRESSURE: 4554600 142.908 129.045 -83.444 -7.40795 -122.26 31.6386 -159.036 173.435 -134.706 PRESSAVG: 4554600 -54.7519 -13.6432 -13.5736 -13.6432 14.8912 11.7536 -13.5736 11.7535 8.98965 GPRESSAVG: 4554600 -54.0438 -15.0435 -9.85862 -13.1993 13.527 11.9527 -16.074 10.1086 9.95381 TIMING: 4554600 CPU: 13689.3, 0.0030232/step Wall: 13689.3, 0.0030232/step, 0.374037 hours remaining, 208.375000 MB of memory in use. ENERGY: 4554600 731.1851 2098.7894 1924.1442 119.3807 -206429.0851 17877.6551 0.0000 0.0000 34231.6518 -149446.2787 298.9535 -183677.9305 -149343.6431 298.8285 -68.3526 -38.0194 557157.9496 -10.2903 -10.1877 PRESSURE: 4554800 16.7944 61.1218 -11.2807 61.1231 0.131896 -88.6394 -11.2808 -88.6403 -29.2478 GPRESSURE: 4554800 52.6405 -22.9575 12.7932 88.114 38.4846 -71.9414 -138.685 -52.9026 5.52468 PRESSAVG: 4554800 10.5805 26.2524 -49.4016 26.2524 -16.8047 -12.442 -49.4016 -12.4421 13.5564 GPRESSAVG: 4554800 11.1376 26.9514 -49.7954 25.4761 -16.2535 -13.9842 -49.6642 -10.1852 11.7571 TIMING: 4554800 CPU: 13689.9, 0.00302024/step Wall: 13689.9, 0.00302024/step, 0.373503 hours remaining, 208.375000 MB of memory in use. ENERGY: 4554800 756.3052 2123.8968 1930.4509 126.2559 -206329.5727 17818.0182 0.0000 0.0000 34244.9133 -149329.7324 299.0693 -183574.6457 -149231.6864 299.0138 -4.1072 32.2166 557976.8970 2.4441 2.2137 PRESSURE: 4555000 -63.89 77.7363 -165.954 77.7379 -128.563 44.0358 -165.955 44.0349 -145.52 GPRESSURE: 4555000 -80.1429 48.4945 -156.304 87.4028 -56.0812 77.1087 -130.298 25.9319 -99.559 PRESSAVG: 4555000 110.296 -51.4414 -0.522934 -51.4413 -67.356 34.9777 -0.522955 34.9777 -14.6435 GPRESSAVG: 4555000 108.677 -52.9604 -0.657833 -51.8686 -67.74 37.4613 -0.225537 33.4774 -12.9677 TIMING: 4555000 CPU: 13690.5, 0.00303031/step Wall: 13690.5, 0.00303031/step, 0.37458 hours remaining, 208.375000 MB of memory in use. ENERGY: 4555000 732.3980 2069.6005 1940.9337 111.5192 -206048.7717 17606.1067 0.0000 0.0000 34187.9841 -149400.2294 298.5722 -183588.2135 -149300.1381 298.6202 -112.6577 -78.5944 557105.3623 9.4320 9.3230 PRESSURE: 4555200 5.60504 27.1402 -161.747 27.1409 -178.851 78.3953 -161.746 78.3927 -20.4019 GPRESSURE: 4555200 55.2038 132.468 -127.229 36.1936 -191.118 135.26 -142.203 10.677 40.2114 PRESSAVG: 4555200 39.5976 -8.44727 -61.2245 -8.44733 -12.3654 14.8661 -61.2246 14.8661 -4.10018 GPRESSAVG: 4555200 40.0866 -6.61113 -63.3477 -9.35279 -12.9388 12.9013 -58.6336 13.1529 -3.96234 TIMING: 4555200 CPU: 13691.1, 0.00301073/step Wall: 13691.1, 0.00301073/step, 0.371993 hours remaining, 208.375000 MB of memory in use. ENERGY: 4555200 734.3589 2055.5128 1914.0676 98.6695 -206494.5864 17764.8699 0.0000 0.0000 34381.7417 -149545.3661 300.2643 -183927.1078 -149451.8003 298.0244 -64.5494 -31.9011 557199.5257 7.7107 7.7285 PRESSURE: 4555400 80.6752 -198.439 58.3076 -198.44 168.129 -4.84489 58.3063 -4.84456 180.388 GPRESSURE: 4555400 96.9785 -204.133 31.2291 -146.003 244.034 -16.7909 32.5798 10.1634 190.684 PRESSAVG: 4555400 50.3006 26.5809 -21.7188 26.5808 -51.2954 -16.3095 -21.7187 -16.3096 4.87643 GPRESSAVG: 4555400 51.1331 25.6288 -20.2377 26.38 -51.7212 -14.2481 -24.5952 -16.2251 4.36827 TIMING: 4555400 CPU: 13691.7, 0.00303746/step Wall: 13691.7, 0.00303746/step, 0.375126 hours remaining, 208.617188 MB of memory in use. ENERGY: 4555400 719.0876 2071.7330 1935.7207 113.2522 -206550.6672 17887.0038 0.0000 0.0000 34203.6401 -149620.2298 298.7089 -183823.8699 -149519.4655 298.3469 143.0641 177.2319 555641.0406 1.2939 1.2601 PRESSURE: 4555600 157.016 127.869 -55.9523 127.87 87.8049 235.88 -55.9526 235.881 -11.706 GPRESSURE: 4555600 171.041 57.2119 -0.823092 86.4566 126.639 170.369 -31.324 254.059 41.4114 PRESSAVG: 4555600 5.56084 -19.8147 15.2162 -19.8147 48.8062 -20.4544 15.2162 -20.4543 -58.722 GPRESSAVG: 4555600 5.42193 -18.0099 16.5807 -20.0886 48.7582 -20.2285 16.141 -22.4764 -58.063 TIMING: 4555600 CPU: 13692.3, 0.00303667/step Wall: 13692.3, 0.00303667/step, 0.37486 hours remaining, 208.617188 MB of memory in use. ENERGY: 4555600 695.4556 2063.1316 1937.9610 101.3243 -206741.1940 17968.6466 0.0000 0.0000 34309.2799 -149665.3950 299.6315 -183974.6748 -149571.4089 298.5943 77.7049 113.0304 555932.0769 -1.4517 -1.2943 PRESSURE: 4555800 -13.6876 -41.0714 -69.9925 -41.0702 -22.2831 -21.9547 -69.9923 -21.9555 111.94 GPRESSURE: 4555800 -59.9827 -20.2521 -2.1237 8.41653 50.1447 -22.503 -84.4497 -18.7214 193.564 PRESSAVG: 4555800 -31.1813 10.022 -15.2078 10.0219 -77.6649 -9.18474 -15.2077 -9.18474 50.3215 GPRESSAVG: 4555800 -30.4252 8.82798 -15.2064 10.8587 -78.4082 -10.86 -13.6385 -8.45945 50.5808 TIMING: 4555800 CPU: 13692.9, 0.00302032/step Wall: 13692.9, 0.00302032/step, 0.372674 hours remaining, 208.617188 MB of memory in use. ENERGY: 4555800 718.4993 2092.4309 1948.1612 116.6513 -206526.8372 17947.8179 0.0000 0.0000 34252.3095 -149450.9671 299.1339 -183703.2766 -149360.2783 298.4669 25.3231 61.2419 556858.7755 -19.5082 -19.4175 PRESSURE: 4556000 -23.4875 21.2507 23.8293 21.2496 -18.6502 -7.97767 23.8304 -7.97742 -102.345 GPRESSURE: 4556000 28.7478 0.747537 55.4504 36.0299 -0.964767 -67.895 -83.3791 75.8418 -68.0403 PRESSAVG: 4556000 -30.4839 -21.4705 4.4656 -21.4705 37.9355 -28.8966 4.46553 -28.8965 55.7227 GPRESSAVG: 4556000 -31.4756 -23.392 3.39539 -20.0117 40.193 -28.5559 2.80994 -28.1855 54.5549 TIMING: 4556000 CPU: 13693.5, 0.00301861/step Wall: 13693.5, 0.00301861/step, 0.372295 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: 4556000 717.7791 2112.7063 1935.6068 126.4553 -206174.8893 17667.1840 0.0000 0.0000 34255.4135 -149359.7443 299.1610 -183615.1578 -149267.5678 298.8651 -48.1608 -13.4191 555651.1941 21.0581 21.0908 PRESSURE: 4556200 -113.467 -200.381 -72.0685 -200.381 -196.072 74.6425 -72.0683 74.64 17.2919 GPRESSURE: 4556200 -148.165 -65.1069 -44.7146 -212.543 -117.239 88.5679 -19.414 35.4479 73.3739 PRESSAVG: 4556200 -27.9487 -30.9321 50.7365 -30.9321 -5.88999 45.1335 50.7365 45.1335 -19.167 GPRESSAVG: 4556200 -27.4284 -29.5604 50.131 -31.693 -6.52492 45.8678 51.8085 44.7186 -18.9654 TIMING: 4556200 CPU: 13694.1, 0.00301864/step Wall: 13694.1, 0.00301864/step, 0.372131 hours remaining, 208.617188 MB of memory in use. ENERGY: 4556200 787.1373 2070.8150 1928.4611 98.2319 -206575.4811 17907.3856 0.0000 0.0000 34271.4447 -149512.0056 299.3011 -183783.4503 -149411.5343 299.0652 -97.4158 -64.0102 555753.2493 -17.6686 -17.6396 LDB: ============= START OF LOAD BALANCING ============== 13697.5 LDB: ============== END OF LOAD BALANCING =============== 13697.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13697.5 LDB: ============= START OF LOAD BALANCING ============== 13697.8 LDB: Largest compute 4820 load 0.025096 is 21.3% of average load 0.118045 LDB: Average compute 0.001743 is 1.5% of average load 0.118045 LDB: TIME 13697.8 LOAD: AVG 0.118045 MAX 0.215913 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.207 MB LDB: TIME 13697.8 LOAD: AVG 0.118045 MAX 0.215913 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.207 MB LDB: TIME 13697.8 LOAD: AVG 0.118045 MAX 0.215913 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.207 MB LDB: ============== END OF LOAD BALANCING =============== 13697.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13697.8 PRESSURE: 4556400 -67.7413 70.7193 -146.61 70.719 34.6271 -166.029 -146.61 -166.03 -134.704 GPRESSURE: 4556400 -62.7972 100.347 -182.637 -41.2243 75.4775 -173.551 -109.404 -145.953 -80.6588 PRESSAVG: 4556400 12.0214 14.7207 -4.33651 14.7207 64.7952 7.2412 -4.33647 7.24118 -36.8471 GPRESSAVG: 4556400 11.2633 13.2436 -1.28666 16.0038 64.7302 5.65607 -7.74182 9.07537 -36.0698 TIMING: 4556400 CPU: 13694.7, 0.00307299/step Wall: 13694.7, 0.00307299/step, 0.37866 hours remaining, 208.546875 MB of memory in use. ENERGY: 4556400 734.9490 2103.0403 1926.3077 114.3304 -205853.2973 17670.6727 0.0000 0.0000 34029.3856 -149274.6115 297.1871 -183303.9971 -149181.4370 299.3633 -55.9395 -22.6595 557202.0158 13.3231 13.3079 PRESSURE: 4556600 57.7527 6.7327 -88.7418 6.73228 214.395 -111.995 -88.7418 -111.995 181.388 GPRESSURE: 4556600 131.938 -99.8603 -126.821 23.0103 267.144 -84.4766 -27.111 -87.9955 157.572 PRESSAVG: 4556600 -76.4819 -14.1836 -17.7933 -14.1836 24.2634 -39.9596 -17.7934 -39.9597 23.3131 GPRESSAVG: 4556600 -76.4395 -14.4092 -19.2273 -14.9838 25.2555 -38.9418 -16.4249 -40.6899 22.1703 TIMING: 4556600 CPU: 13695.3, 0.00301458/step Wall: 13695.3, 0.00301458/step, 0.371295 hours remaining, 208.746094 MB of memory in use. ENERGY: 4556600 702.4928 2070.9901 1949.0987 115.0009 -206488.6513 17982.7900 0.0000 0.0000 34255.2336 -149413.0453 299.1595 -183668.2789 -149313.9985 299.3604 151.1784 185.5516 557973.6744 -9.6351 -9.6712 PRESSURE: 4556800 -165.324 -81.0141 54.7972 -81.0153 158.66 71.2683 54.7979 71.268 4.11404 GPRESSURE: 4556800 -177.744 -86.5451 84.7295 -86.0802 176.383 -3.91744 67.2986 25.2303 83.7979 PRESSAVG: 4556800 63.8694 8.14303 -11.3618 8.14308 -18.3154 50.5904 -11.3618 50.5904 20.7698 GPRESSAVG: 4556800 63.2756 8.62416 -10.1561 8.69507 -20.3159 49.0663 -15.5177 51.422 22.9745 TIMING: 4556800 CPU: 13695.9, 0.00303473/step Wall: 13695.9, 0.00303473/step, 0.373609 hours remaining, 208.746094 MB of memory in use. ENERGY: 4556800 739.2529 2095.4092 1943.2958 119.8546 -205828.9895 17708.3589 0.0000 0.0000 33724.1199 -149498.6983 294.5211 -183222.8181 -149400.3718 298.0755 -0.8499 27.4790 557927.4140 22.1079 21.9780 PRESSURE: 4557000 343.802 85.5537 -125.19 85.5551 -142.578 171.054 -125.19 171.053 266.973 GPRESSURE: 4557000 401.158 74.1645 -86.5981 137.843 -128.87 190.859 -140.439 35.5093 290.587 PRESSAVG: 4557000 -23.8329 -0.743386 11.6024 -0.743261 -27.5146 -60.4753 11.6025 -60.4753 11.2335 GPRESSAVG: 4557000 -22.4292 0.278484 11.2981 -1.41603 -27.4415 -58.4534 12.7908 -60.9414 10.1228 TIMING: 4557000 CPU: 13696.5, 0.00300587/step Wall: 13696.5, 0.00300587/step, 0.369889 hours remaining, 208.746094 MB of memory in use. ENERGY: 4557000 721.1103 2109.1419 1954.1103 117.4993 -206837.0067 18222.3365 0.0000 0.0000 34232.7052 -149480.1033 298.9627 -183712.8085 -149383.0611 297.9434 156.0659 187.6251 556048.8804 -13.3713 -13.2493 PRESSURE: 4557200 6.79087 -27.1231 -14.9774 -27.1223 -31.674 49.6594 -14.9772 49.6588 176.394 GPRESSURE: 4557200 83.2078 83.5297 13.5562 -85.1698 -72.9615 67.5722 51.0735 14.3984 235.921 PRESSAVG: 4557200 -33.1495 50.0136 33.2305 50.0135 -51.1303 23.2198 33.2306 23.2198 96.7891 GPRESSAVG: 4557200 -32.821 50.1962 34.2963 50.1766 -51.141 23.646 35.0442 23.2767 96.5672 TIMING: 4557200 CPU: 13697.1, 0.00301328/step Wall: 13697.1, 0.00301328/step, 0.370633 hours remaining, 208.746094 MB of memory in use. ENERGY: 4557200 781.6810 2058.4400 1949.5163 112.2584 -206748.5871 18030.7793 0.0000 0.0000 34246.8956 -149569.0166 299.0867 -183815.9122 -149467.8631 298.5346 50.5036 82.0558 556723.8766 4.1698 4.2017 PRESSURE: 4557400 117.517 80.4722 91.3359 80.4724 24.467 -14.5192 91.3352 -14.5191 -61.5285 GPRESSURE: 4557400 150.429 62.4451 77.5878 143.881 5.44028 115.385 79.967 -63.5866 18.279 PRESSAVG: 4557400 -5.27103 -32.0519 8.01425 -32.052 -29.2199 -15.3863 8.01422 -15.3863 55.7912 GPRESSAVG: 4557400 -5.93509 -34.6348 4.74755 -33.4623 -27.4197 -15.2065 8.78345 -15.8905 55.1762 TIMING: 4557400 CPU: 13697.7, 0.00304122/step Wall: 13697.7, 0.00304122/step, 0.373901 hours remaining, 208.746094 MB of memory in use. ENERGY: 4557400 787.1340 2072.8877 1959.2946 124.1096 -206548.9467 17930.7182 0.0000 0.0000 34078.6748 -149596.1279 297.6175 -183674.8026 -149514.1469 297.7864 26.8186 58.0493 555586.9515 7.1001 7.2738 PRESSURE: 4557600 -365.63 39.2517 -98.3753 39.2523 -186.144 59.8851 -98.3754 59.8849 -284.347 GPRESSURE: 4557600 -361.878 29.0665 -101.333 83.5865 -121.377 12.3279 -120.44 129.304 -235.912 PRESSAVG: 4557600 22.997 30.9311 -23.1022 30.9311 25.8142 -31.1263 -23.1022 -31.1263 -49.4896 GPRESSAVG: 4557600 23.2617 31.1844 -21.728 31.4926 24.2967 -32.275 -23.355 -32.7444 -48.7908 TIMING: 4557600 CPU: 13698.3, 0.00303611/step Wall: 13698.3, 0.00303611/step, 0.373104 hours remaining, 208.746094 MB of memory in use. ENERGY: 4557600 750.7079 2094.3707 1947.7539 115.1644 -205835.3155 17300.6295 0.0000 0.0000 34290.7142 -149335.9749 299.4693 -183626.6891 -149244.0632 297.9743 -278.7070 -239.7223 557640.1305 -0.2261 -0.4108 PRESSURE: 4557800 -76.8676 -47.5394 51.2358 -47.5387 82.4809 5.02092 51.235 5.02232 -138.714 GPRESSURE: 4557800 -1.99799 -86.691 27.6882 -40.833 127.369 -32.6721 109.882 3.33466 -176.003 PRESSAVG: 4557800 -11.8314 45.1032 11.6675 45.1033 10.2875 -16.9964 11.6675 -16.9964 0.938784 GPRESSAVG: 4557800 -12.2246 45.5831 10.8969 45.5391 10.4415 -16.9633 13.5569 -15.3768 1.08462 TIMING: 4557800 CPU: 13699, 0.00304146/step Wall: 13699, 0.00304146/step, 0.373593 hours remaining, 208.746094 MB of memory in use. ENERGY: 4557800 788.3354 2052.6978 1921.3010 121.4636 -206425.2980 17921.9542 0.0000 0.0000 34024.0473 -149595.4986 297.1405 -183619.5459 -149494.8078 298.4694 -44.3668 -16.8774 557286.7237 -0.2017 -0.2328 PRESSURE: 4558000 -74.9104 29.8033 -34.7145 29.8035 90.5853 -55.5505 -34.7138 -55.55 -36.7295 GPRESSURE: 4558000 -13.5858 -20.9928 64.3705 21.1144 63.6754 -70.9724 -99.0666 -57.8504 21.1064 PRESSAVG: 4558000 -31.6753 -26.4048 -0.366251 -26.4046 3.85793 -3.80687 -0.366206 -3.80683 24.7554 GPRESSAVG: 4558000 -31.2955 -23.9419 -1.59869 -27.2341 4.37013 -3.42987 -1.38357 -4.29991 24.3854 TIMING: 4558000 CPU: 13699.6, 0.00305253/step Wall: 13699.6, 0.00305253/step, 0.374783 hours remaining, 208.746094 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: 4558000 712.1662 2092.6989 1954.1362 111.0667 -206220.4331 17727.5603 0.0000 0.0000 34137.8881 -149484.9166 298.1347 -183622.8047 -149380.7924 298.4155 -7.0182 23.7320 556224.4548 -1.0207 -0.8467 PRESSURE: 4558200 62.7826 35.6947 -164.415 35.6937 -173.474 17.651 -164.415 17.6521 118.515 GPRESSURE: 4558200 79.0211 47.4013 -164.192 85.2577 -174.198 36.5222 -178.639 -27.4858 204.379 PRESSAVG: 4558200 -10.4349 66.3162 -26.8995 66.3163 9.23644 -23.9127 -26.8996 -23.9128 -17.3753 GPRESSAVG: 4558200 -10.0033 64.1711 -26.5193 64.8809 8.50473 -22.6641 -28.0557 -24.4238 -16.8251 TIMING: 4558200 CPU: 13700.2, 0.00305531/step Wall: 13700.2, 0.00305531/step, 0.374955 hours remaining, 208.746094 MB of memory in use. ENERGY: 4558200 741.3490 2067.6593 1950.6455 116.9220 -206087.7030 17746.0706 0.0000 0.0000 34083.4475 -149381.6091 297.6592 -183465.0566 -149289.1806 298.3353 2.6079 36.4007 556549.7864 -6.1912 -6.1079 PRESSURE: 4558400 137.646 -44.5534 28.4307 -44.554 108.373 101.408 28.4328 101.409 151.544 GPRESSURE: 4558400 199.733 -41.2604 -71.272 -56.3942 168.101 106.321 25.7594 129.657 117.204 PRESSAVG: 4558400 2.46049 43.2944 -10.8154 43.2943 -16.1671 -10.3425 -10.8153 -10.3426 -10.4234 GPRESSAVG: 4558400 1.26687 43.6832 -10.896 45.3247 -15.913 -11.9898 -8.523 -9.73278 -10.0792 TIMING: 4558400 CPU: 13700.8, 0.00304308/step Wall: 13700.8, 0.00304308/step, 0.373285 hours remaining, 208.746094 MB of memory in use. ENERGY: 4558400 733.1826 2103.8891 1949.9816 113.4347 -206779.1883 18158.0867 0.0000 0.0000 34335.0672 -149385.5463 299.8567 -183720.6136 -149292.4239 298.6066 132.5210 161.6793 556613.0022 -8.0434 -8.2418 PRESSURE: 4558600 102.549 -64.9127 -142.052 -64.9132 -221.952 -120.873 -142.05 -120.873 61.2785 GPRESSURE: 4558600 73.4699 -105.081 -156.689 -8.86821 -167.814 -83.9079 -118.636 -151.332 148.185 PRESSAVG: 4558600 -11.5968 -27.7319 -51.8261 -27.7319 -10.7934 -13.1595 -51.826 -13.1595 21.9544 GPRESSAVG: 4558600 -12.2818 -26.7409 -51.4553 -28.785 -9.51983 -13.1302 -51.1024 -12.0483 21.1407 TIMING: 4558600 CPU: 13701.4, 0.0030146/step Wall: 13701.4, 0.0030146/step, 0.369624 hours remaining, 208.746094 MB of memory in use. ENERGY: 4558600 736.3898 2132.0776 1940.6303 113.5713 -206333.4233 17895.1630 0.0000 0.0000 34216.6251 -149298.9661 298.8223 -183515.5912 -149206.4164 299.2018 -19.3748 17.9469 558741.5794 -0.1453 -0.2203 PRESSURE: 4558800 -198.258 47.1696 83.7412 47.1691 -380.499 -27.019 83.7409 -27.0196 -182.767 GPRESSURE: 4558800 -235.816 46.2524 137.357 62.0746 -285.459 -35.0094 15.8927 26.8353 -145.287 PRESSAVG: 4558800 33.4961 39.338 9.74239 39.3379 -94.4672 24.2072 9.74249 24.2073 13.6672 GPRESSAVG: 4558800 34.3918 39.4754 7.3941 40.1927 -94.0587 24.2349 10.4553 23.2436 12.3901 TIMING: 4558800 CPU: 13702, 0.00300449/step Wall: 13702, 0.00300449/step, 0.368217 hours remaining, 208.746094 MB of memory in use. ENERGY: 4558800 773.5863 2159.6093 1948.8233 121.1297 -206208.9400 17637.5544 0.0000 0.0000 33984.0993 -149584.1377 296.7916 -183568.2370 -149484.3833 298.9181 -253.8416 -222.1873 558284.2620 -15.7679 -15.7589 PRESSURE: 4559000 -184.302 -52.9806 -21.6882 -52.9814 -78.3269 -111.882 -21.6873 -111.881 -52.5369 GPRESSURE: 4559000 -176.611 -74.1572 18.654 25.9156 -7.35789 -30.2277 -18.3425 -179.578 -30.3062 PRESSAVG: 4559000 -37.6295 12.8874 21.1058 12.8874 8.54773 -2.5131 21.1057 -2.51317 42.6773 GPRESSAVG: 4559000 -37.4441 11.9585 24.7939 14.759 7.31189 -0.954563 18.6312 -3.98163 43.7533 TIMING: 4559000 CPU: 13702.6, 0.00304078/step Wall: 13702.6, 0.00304078/step, 0.372496 hours remaining, 208.746094 MB of memory in use. ENERGY: 4559000 757.8852 2061.6796 1919.6012 119.4387 -206349.0487 17930.5992 0.0000 0.0000 34104.1220 -149455.7228 297.8398 -183559.8448 -149356.2472 297.9972 -105.0552 -71.4252 557968.4963 4.5318 4.5404 PRESSURE: 4559200 56.25 -147.68 114.725 -147.679 -155.807 -11.0688 114.723 -11.0675 -10.9977 GPRESSURE: 4559200 78.9673 -117.217 122.922 -93.7293 -148.992 -45.4769 87.57 26.526 35.5654 PRESSAVG: 4559200 -52.6704 -29.1182 26.1414 -29.1181 -1.52507 -85.7815 26.1413 -85.7816 59.9171 GPRESSAVG: 4559200 -52.4148 -29.1233 25.0095 -28.6035 -1.48824 -88.4667 27.5203 -81.124 59.6116 TIMING: 4559200 CPU: 13703.2, 0.00303408/step Wall: 13703.2, 0.00303408/step, 0.371506 hours remaining, 208.746094 MB of memory in use. ENERGY: 4559200 760.6334 2097.4754 1994.3042 112.1706 -206291.2642 17866.2016 0.0000 0.0000 34038.1120 -149422.3670 297.2633 -183460.4790 -149334.4203 299.0938 -36.8517 -11.4864 556827.8167 1.9072 1.9029 PRESSURE: 4559400 -93.7588 -46.7332 -66.9299 -46.7332 37.7837 29.8639 -66.9285 29.8646 -20.331 GPRESSURE: 4559400 -50.7485 -88.3654 5.24816 -96.335 32.1995 14.2623 -137.989 24.0044 50.1163 PRESSAVG: 4559400 -15.3089 -60.667 -5.08565 -60.667 11.3365 -23.4564 -5.08571 -23.4563 18.6252 GPRESSAVG: 4559400 -14.7355 -61.2449 -6.84208 -61.5818 11.6383 -21.8911 -4.21176 -27.6829 18.2262 TIMING: 4559400 CPU: 13703.8, 0.00302109/step Wall: 13703.8, 0.00302109/step, 0.369748 hours remaining, 208.746094 MB of memory in use. ENERGY: 4559400 763.9344 2121.4016 1943.0336 104.3867 -206423.1711 17761.7446 0.0000 0.0000 34178.9913 -149549.6788 298.4936 -183728.6701 -149455.4397 298.7934 -25.4354 10.5224 557188.4680 4.8843 5.0430 PRESSURE: 4559600 -277.339 143.25 -64.0312 143.25 -0.51201 -59.0501 -64.0317 -59.0479 -149.01 GPRESSURE: 4559600 -190.705 97.7238 -20.0185 161.479 -2.36897 7.52702 -37.3373 -111.638 -136.081 PRESSAVG: 4559600 21.0088 15.104 66.1346 15.104 -8.79636 1.20971 66.1346 1.20955 -22.0357 GPRESSAVG: 4559600 21.3826 16.5572 70.0131 12.6233 -9.33272 -0.295989 62.6643 3.80475 -22.2918 TIMING: 4559600 CPU: 13704.4, 0.00305331/step Wall: 13704.4, 0.00305331/step, 0.373521 hours remaining, 208.816406 MB of memory in use. ENERGY: 4559600 774.3066 2010.7626 1943.3665 109.0431 -206573.9893 17789.7582 0.0000 0.0000 34239.7397 -149707.0126 299.0242 -183946.7524 -149617.3295 298.6119 -142.2869 -109.7184 557830.1059 -3.2744 -3.4140 PRESSURE: 4559800 -139.929 12.7621 15.5819 12.7606 -237.947 -130.056 15.5826 -130.057 -93.8607 GPRESSURE: 4559800 -141.841 68.6444 82.9833 -50.8773 -232.108 -199.719 -40.1945 -175.823 -12.0461 PRESSAVG: 4559800 49.564 4.25437 22.2487 4.2543 -43.8327 30.4435 22.2488 30.4434 15.2661 GPRESSAVG: 4559800 48.3625 3.128 21.3863 4.63629 -43.2404 32.5208 22.8507 28.8275 15.9298 TIMING: 4559800 CPU: 13705, 0.00306109/step Wall: 13705, 0.00306109/step, 0.374303 hours remaining, 208.816406 MB of memory in use. ENERGY: 4559800 736.3595 2093.2031 1920.0517 125.1098 -205862.6015 17295.5223 0.0000 0.0000 34139.8449 -149552.5103 298.1518 -183692.3551 -149452.1858 298.2362 -157.2458 -128.6650 557511.3439 6.9991 7.0173 PRESSURE: 4560000 -281.551 -6.25394 153.755 -6.25336 28.6883 -39.6115 153.754 -39.6119 -105.37 GPRESSURE: 4560000 -251.612 72.154 85.1365 -12.0006 94.0681 -84.4448 95.0936 21.6658 -90.1143 PRESSAVG: 4560000 -34.6473 38.1115 65.1861 38.1116 28.3928 9.46244 65.1862 9.4624 -5.73457 GPRESSAVG: 4560000 -33.2691 40.0338 63.5403 38.4373 27.6277 8.55305 66.3363 10.0147 -6.51152 TIMING: 4560000 CPU: 13705.6, 0.00308149/step Wall: 13705.6, 0.00308149/step, 0.376626 hours remaining, 208.816406 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: 4560000 714.5404 2121.3735 1911.4726 96.6694 -206218.2183 17708.5872 0.0000 0.0000 33995.7446 -149669.8305 296.8933 -183665.5752 -149570.4307 297.6890 -119.4109 -82.5527 556714.2639 -3.9963 -4.0510 PRESSURE: 4560200 -12.3616 -30.9451 -67.5155 -30.9431 134.284 111.652 -67.5155 111.651 94.3754 GPRESSURE: 4560200 -10.7622 -94.8143 -48.3613 -84.9238 172.871 136.472 -49.2882 86.962 157.677 PRESSAVG: 4560200 38.2901 -0.0679267 -27.7858 -0.0679575 5.12269 25.5103 -27.7858 25.5101 -24.8786 GPRESSAVG: 4560200 36.9967 -0.425005 -27.2313 1.60923 4.66969 25.9765 -28.7079 24.145 -23.1049 TIMING: 4560200 CPU: 13706.3, 0.00310232/step Wall: 13706.3, 0.00310232/step, 0.379 hours remaining, 208.816406 MB of memory in use. ENERGY: 4560200 758.1731 2156.7308 1944.9653 98.4011 -206674.8731 18110.8165 0.0000 0.0000 34023.9193 -149581.8670 297.1393 -183605.7863 -149483.9288 298.1184 72.0993 106.5953 556633.6298 6.1781 6.1872 LDB: ============= START OF LOAD BALANCING ============== 13709.7 LDB: ============== END OF LOAD BALANCING =============== 13709.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13709.7 LDB: ============= START OF LOAD BALANCING ============== 13710 LDB: Largest compute 4820 load 0.026045 is 22.1% of average load 0.118078 LDB: Average compute 0.001742 is 1.5% of average load 0.118078 LDB: TIME 13710 LOAD: AVG 0.118078 MAX 0.218308 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.359 MB LDB: TIME 13710 LOAD: AVG 0.118078 MAX 0.218308 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.422 MB LDB: TIME 13710 LOAD: AVG 0.118078 MAX 0.218308 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.422 MB LDB: ============== END OF LOAD BALANCING =============== 13710 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13710 PRESSURE: 4560400 -137.187 78.5604 122.091 78.5612 -84.5747 16.6283 122.092 16.6272 -170.016 GPRESSURE: 4560400 -39.3798 104.869 145.561 25.9534 -94.2283 -50.5832 151.348 107.184 -149.004 PRESSAVG: 4560400 63.3354 19.6666 -19.1657 19.6666 -40.6388 26.0523 -19.1656 26.0522 -28.6053 GPRESSAVG: 4560400 64.8923 17.9902 -19.6751 18.1765 -40.6377 25.7688 -17.6386 26.5646 -29.9501 TIMING: 4560400 CPU: 13706.9, 0.00311917/step Wall: 13706.9, 0.00311917/step, 0.380885 hours remaining, 206.765625 MB of memory in use. ENERGY: 4560400 749.3191 2122.6763 1947.3177 106.6260 -206045.7080 17631.5115 0.0000 0.0000 34104.0960 -149384.1614 297.8396 -183488.2575 -149290.8789 298.4864 -130.5926 -94.2040 558548.2257 -1.9695 -1.8985 PRESSURE: 4560600 32.744 17.3583 -128.386 17.3586 -6.09777 35.4589 -128.386 35.4586 -25.1172 GPRESSURE: 4560600 106.871 -13.8702 -79.9034 -15.5304 8.02536 34.0571 -123.493 -0.250851 -10.5539 PRESSAVG: 4560600 4.41855 7.6457 46.634 7.64573 -28.93 77.8067 46.6341 77.8067 30.8412 GPRESSAVG: 4560600 3.80641 6.52824 48.9417 8.34448 -27.5272 79.1527 43.8171 77.2496 30.6156 TIMING: 4560600 CPU: 13707.5, 0.00306021/step Wall: 13707.5, 0.00306021/step, 0.373516 hours remaining, 206.765625 MB of memory in use. ENERGY: 4560600 712.3043 2045.6080 1952.1153 110.4725 -206088.5385 17744.7657 0.0000 0.0000 34172.3055 -149350.9673 298.4352 -183523.2728 -149254.5156 298.6511 0.5097 34.7809 558153.1675 2.1099 2.2983 PRESSURE: 4560800 355.65 100.958 156.444 100.958 64.2574 64.1052 156.443 64.1049 138.134 GPRESSURE: 4560800 355.1 195.113 96.5348 121.677 113.585 108.804 192.434 30.7437 186.27 PRESSAVG: 4560800 14.1962 4.5704 35.9195 4.57039 17.5837 -2.98519 35.9195 -2.98529 12.1733 GPRESSAVG: 4560800 13.6328 6.24827 33.4775 6.04249 18.6822 -4.75351 39.1712 -3.80833 12.1044 TIMING: 4560800 CPU: 13708.1, 0.00304347/step Wall: 13708.1, 0.00304347/step, 0.371303 hours remaining, 206.765625 MB of memory in use. ENERGY: 4560800 713.3993 2166.4045 1945.5256 107.7094 -206943.2524 18256.3979 0.0000 0.0000 34327.0190 -149426.7966 299.7864 -183753.8156 -149330.3583 298.4019 186.0139 218.3183 558565.8817 14.6511 14.8065 PRESSURE: 4561000 128.232 -213.558 148.716 -213.558 -4.44794 -179.47 148.715 -179.47 -71.7707 GPRESSURE: 4561000 136.069 -137.578 16.5497 -228.592 52.4941 -220.325 183.766 -142.661 -34.9964 PRESSAVG: 4561000 33.9147 13.2546 102.949 13.2546 27.9076 -54.2532 102.949 -54.2534 -44.8958 GPRESSAVG: 4561000 34.878 12.4054 103.898 11.2933 25.3618 -54.8789 100.093 -51.6555 -43.6544 TIMING: 4561000 CPU: 13708.7, 0.00300888/step Wall: 13708.7, 0.00300888/step, 0.366916 hours remaining, 206.765625 MB of memory in use. ENERGY: 4561000 745.7858 2117.8949 1918.8650 101.0946 -206180.6488 17918.1882 0.0000 0.0000 34116.4213 -149262.3989 297.9472 -183378.8202 -149166.5960 299.0873 17.3378 51.1888 558603.6817 5.6422 5.5285 PRESSURE: 4561200 -128.832 124.036 -78.1097 124.036 -43.0617 -22.0489 -78.1097 -22.0482 186.051 GPRESSURE: 4561200 -75.0017 99.4126 -74.7395 141.697 9.07888 -69.8775 -50.2169 25.6667 171.829 PRESSAVG: 4561200 42.6109 4.9467 16.2905 4.94663 -40.6102 6.58399 16.2906 6.58389 -19.041 GPRESSAVG: 4561200 41.6348 6.07482 15.7226 6.29876 -39.7578 6.51455 16.1863 6.08681 -19.6098 TIMING: 4561200 CPU: 13709.3, 0.00301548/step Wall: 13709.3, 0.00301548/step, 0.367553 hours remaining, 206.765625 MB of memory in use. ENERGY: 4561200 751.2517 2110.5848 1930.0116 109.6172 -206168.7788 18012.8062 0.0000 0.0000 34112.7308 -149141.7764 297.9150 -183254.5072 -149048.1772 299.0171 4.7194 35.3019 558323.2735 -5.6801 -5.9109 PRESSURE: 4561400 -114.904 153.163 20.237 153.163 88.0968 -184.547 20.2387 -184.546 11.2333 GPRESSURE: 4561400 -45.9996 203.411 -45.112 160.008 84.1494 -133.023 -65.204 -178.125 38.1513 PRESSAVG: 4561400 -43.9603 17.7138 35.2783 17.7137 46.4702 37.7861 35.2782 37.7859 -1.51839 GPRESSAVG: 4561400 -44.6069 15.987 36.0163 18.7509 46.3993 41.0298 35.0618 35.8896 -1.6142 TIMING: 4561400 CPU: 13709.9, 0.00303189/step Wall: 13709.9, 0.00303189/step, 0.369385 hours remaining, 206.765625 MB of memory in use. ENERGY: 4561400 744.5084 2130.6532 1950.2834 104.9037 -205931.9808 17728.1537 0.0000 0.0000 34224.2946 -149049.1838 298.8893 -183273.4784 -148948.7662 299.6259 -5.1912 25.4337 556748.3877 0.3305 0.0594 PRESSURE: 4561600 -12.9055 -133.985 17.7905 -133.984 -126.61 -62.8036 17.7913 -62.8037 -144.776 GPRESSURE: 4561600 -15.5694 -153.535 57.1998 -161.678 -84.6958 -2.84159 -6.28023 36.3493 -93.9849 PRESSAVG: 4561600 -1.53436 31.4445 12.4362 31.4446 0.0414622 22.2086 12.4362 22.2086 18.1957 GPRESSAVG: 4561600 -0.788373 33.9172 11.6869 28.3536 -1.41391 19.9173 13.5761 23.1622 18.2039 TIMING: 4561600 CPU: 13710.5, 0.00305252/step Wall: 13710.5, 0.00305252/step, 0.37173 hours remaining, 206.765625 MB of memory in use. ENERGY: 4561600 740.4948 2146.0803 1921.4029 110.1104 -205670.7510 17593.0512 0.0000 0.0000 34099.7337 -149059.8777 297.8015 -183159.6114 -148966.5270 299.1479 -94.7635 -64.7500 557124.5708 5.5676 5.3339 PRESSURE: 4561800 50.9821 42.2142 167.447 42.2146 -358.578 -73.692 167.447 -73.693 137.079 GPRESSURE: 4561800 84.6072 9.90242 214.628 -28.633 -296.261 -90.5079 91.8609 -31.9935 141.762 PRESSAVG: 4561800 23.381 -30.7362 -65.7413 -30.7362 -51.5557 -11.7911 -65.7413 -11.7911 50.8642 GPRESSAVG: 4561800 23.4396 -32.8618 -65.6672 -29.4397 -50.6031 -11.0571 -65.1229 -9.3582 50.3066 TIMING: 4561800 CPU: 13711.1, 0.00304863/step Wall: 13711.1, 0.00304863/step, 0.371086 hours remaining, 206.765625 MB of memory in use. ENERGY: 4561800 770.0173 2073.2723 1942.4618 119.2826 -205952.3064 17764.4083 0.0000 0.0000 34340.1355 -148942.7285 299.9009 -183282.8640 -148838.2751 299.9236 -56.8390 -23.2972 558204.6087 7.5632 7.7144 PRESSURE: 4562000 89.8689 -44.1028 80.1229 -44.1014 76.7086 -130.557 80.1228 -130.557 -68.8581 GPRESSURE: 4562000 112.852 -59.2892 68.9097 -21.4203 68.8486 -95.5975 76.9968 -160.931 18.6311 PRESSAVG: 4562000 -38.1551 -36.6181 -21.72 -36.618 -59.5467 -34.2749 -21.72 -34.2749 87.9625 GPRESSAVG: 4562000 -38.569 -35.1807 -23.8111 -37.1219 -58.9923 -33.7188 -21.9908 -37.6658 87.5389 TIMING: 4562000 CPU: 13711.8, 0.00304371/step Wall: 13711.8, 0.00304371/step, 0.370318 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: 4562000 698.4836 2140.9526 1971.6872 107.6871 -205923.1862 17694.0442 0.0000 0.0000 34134.5524 -149175.7791 298.1055 -183310.3315 -149078.2882 299.3651 32.5731 66.7771 557080.8621 -3.2464 -3.3408 PRESSURE: 4562200 -58.7322 116.335 52.0586 116.335 -50.4098 88.3538 52.0593 88.3532 7.01858 GPRESSURE: 4562200 -14.34 89.3635 -41.616 204.64 -29.6714 100.441 30.3348 13.7434 30.9241 PRESSAVG: 4562200 22.2786 -41.7565 -82.0527 -41.7565 -29.0414 12.6102 -82.0528 12.6102 46.5461 GPRESSAVG: 4562200 21.5805 -43.1288 -81.416 -41.2384 -29.7241 13.5367 -81.8823 13.2695 47.2178 TIMING: 4562200 CPU: 13712.4, 0.00304171/step Wall: 13712.4, 0.00304171/step, 0.369906 hours remaining, 206.765625 MB of memory in use. ENERGY: 4562200 739.4178 2083.1734 1942.3324 118.1533 -205964.4190 17604.0209 0.0000 0.0000 34317.7348 -149159.5864 299.7053 -183477.3212 -149066.2784 299.0854 -34.0411 -4.3625 557057.1571 13.2611 13.0247 PRESSURE: 4562400 -348.635 -19.1976 46.0914 -19.1989 -122.642 220.501 46.091 220.502 -10.5219 GPRESSURE: 4562400 -309.492 -99.6288 130.233 7.53262 -107.434 179.764 -81.9839 366.229 32.3915 PRESSAVG: 4562400 29.4184 0.786958 -1.2785 0.787006 -20.9036 50.3711 -1.27847 50.3711 20.7776 GPRESSAVG: 4562400 30.0386 1.0482 0.748368 2.88342 -20.7779 48.1779 -2.21996 51.8235 19.7623 TIMING: 4562400 CPU: 13713, 0.00305282/step Wall: 13713, 0.00305282/step, 0.371087 hours remaining, 206.765625 MB of memory in use. ENERGY: 4562400 728.1196 2070.8833 1941.8743 115.3894 -205820.9948 17510.0840 0.0000 0.0000 34192.5174 -149262.1267 298.6118 -183454.6441 -149172.4945 299.2326 -160.5995 -128.1783 557857.3921 9.7641 9.6743 PRESSURE: 4562600 -208.397 -1.78102 -288.109 -1.78003 -15.0148 23.742 -288.107 23.7427 20.1107 GPRESSURE: 4562600 -150.634 78.2059 -379.913 -80.784 10.7605 71.7937 -244.922 33.7245 42.7967 PRESSAVG: 4562600 -20.4492 15.9015 -53.9764 15.9015 5.26922 0.318288 -53.9763 0.318243 34.6757 GPRESSAVG: 4562600 -21.552 17.4071 -53.9135 12.0303 6.19946 1.03278 -53.8743 1.70699 34.8982 TIMING: 4562600 CPU: 13713.6, 0.00306025/step Wall: 13713.6, 0.00306025/step, 0.37182 hours remaining, 206.765625 MB of memory in use. ENERGY: 4562600 718.2248 2054.4977 1953.3152 102.3260 -206145.8550 17672.7836 0.0000 0.0000 34286.4700 -149358.2377 299.4323 -183644.7078 -149254.1413 298.7035 -67.7671 -32.3588 556668.1789 6.4986 6.5152 PRESSURE: 4562800 -331.851 49.356 9.95268 49.3568 -127.393 -129.149 9.95248 -129.147 -171.792 GPRESSURE: 4562800 -274.193 50.5304 59.5423 25.9144 -59.4955 -149.356 42.7084 -36.5158 -202.478 PRESSAVG: 4562800 -29.2231 -3.14342 -0.157184 -3.14338 21.4198 7.62379 -0.157132 7.62386 21.1364 GPRESSAVG: 4562800 -29.4291 -3.13456 1.80383 -0.662174 21.2013 7.01813 -0.341705 4.45981 22.7256 TIMING: 4562800 CPU: 13714.2, 0.00305536/step Wall: 13714.2, 0.00305536/step, 0.371057 hours remaining, 206.765625 MB of memory in use. ENERGY: 4562800 744.4917 2149.7650 1960.2436 101.0628 -206124.2114 17708.0975 0.0000 0.0000 34145.4502 -149315.1007 298.2007 -183460.5508 -149225.6535 298.8496 -210.3452 -178.7219 559857.1341 4.4444 4.8326 PRESSURE: 4563000 -314.338 271.318 -72.8208 271.318 -151.498 89.6389 -72.8195 89.6404 137.76 GPRESSURE: 4563000 -275.614 345.526 -101.479 227.215 -72.0746 88.9188 -57.2941 112.061 131.151 PRESSAVG: 4563000 -23.3451 11.0232 32.7286 11.0232 -14.6648 6.38601 32.7286 6.38603 0.630056 GPRESSAVG: 4563000 -22.7729 10.5309 32.2622 11.6528 -14.8658 6.36509 32.6553 7.24366 0.550965 TIMING: 4563000 CPU: 13714.8, 0.00304357/step Wall: 13714.8, 0.00304357/step, 0.369455 hours remaining, 206.765625 MB of memory in use. ENERGY: 4563000 759.9024 2116.4535 1956.8492 124.2336 -205998.5953 17703.2664 0.0000 0.0000 34119.3448 -149218.5453 297.9727 -183337.8901 -149131.2577 298.1827 -109.3586 -72.1792 558862.7861 -12.4600 -12.3626 PRESSURE: 4563200 68.8577 23.859 -96.9386 23.8587 383.59 62.2122 -96.9395 62.2137 -15.5159 GPRESSURE: 4563200 47.2289 111.944 -22.2349 -34.8901 409.028 78.604 -131.636 61.1286 68.8107 PRESSAVG: 4563200 17.6758 1.66281 27.8386 1.66284 20.1466 -7.99487 27.8384 -7.99489 15.6615 GPRESSAVG: 4563200 16.4977 1.90098 25.2643 1.84979 20.236 -6.69043 29.2223 -8.4146 15.8399 TIMING: 4563200 CPU: 13715.4, 0.00302755/step Wall: 13715.4, 0.00302755/step, 0.367343 hours remaining, 206.765625 MB of memory in use. ENERGY: 4563200 730.7980 2039.0838 1946.8980 109.2693 -206229.5157 18131.0128 0.0000 0.0000 34206.6266 -149065.8273 298.7350 -183272.4539 -148967.5202 299.4788 145.6440 175.0226 558176.5209 17.8280 17.5245 PRESSURE: 4563400 48.4876 -90.2503 77.3643 -90.2501 346.985 101.139 77.3651 101.14 -94.4817 GPRESSURE: 4563400 44.4603 -40.7188 110.851 -110.992 411.706 117.313 133.624 48.291 -54.7977 PRESSAVG: 4563400 10.3387 -13.5494 18.4985 -13.5494 22.1214 47.491 18.4984 47.491 -53.6022 GPRESSAVG: 4563400 10.6697 -13.9104 19.4218 -15.1819 22.7945 45.5907 18.3176 47.4354 -54.228 TIMING: 4563400 CPU: 13716, 0.00303142/step Wall: 13716, 0.00303142/step, 0.367644 hours remaining, 206.765625 MB of memory in use. ENERGY: 4563400 739.0818 2090.7275 1931.5579 108.3008 -206141.7377 17860.1166 0.0000 0.0000 34324.4236 -149087.5296 299.7637 -183411.9532 -148986.8937 299.4965 100.3304 133.7895 557271.1718 -7.0474 -6.9213 PRESSURE: 4563600 -7.21645 -33.5147 2.86048 -33.5151 -244.394 -28.5831 2.85945 -28.5829 -70.8687 GPRESSURE: 4563600 -0.54267 -13.9292 33.1175 -74.438 -154.66 -55.9813 -126.929 -26.8913 -54.0737 PRESSAVG: 4563600 -41.4203 -50.3261 70.9653 -50.3261 56.4309 16.8323 70.9653 16.8323 -7.97435 GPRESSAVG: 4563600 -40.5309 -50.3742 72.0888 -48.6575 55.8959 16.1138 71.368 18.3773 -7.94052 TIMING: 4563600 CPU: 13716.6, 0.00308086/step Wall: 13716.6, 0.00308086/step, 0.373469 hours remaining, 206.765625 MB of memory in use. ENERGY: 4563600 738.2202 2045.6854 1932.9779 105.3736 -205662.9739 17470.0891 0.0000 0.0000 34229.3238 -149141.3039 298.9332 -183370.6277 -149053.5862 299.2498 -107.4931 -69.7589 556956.2460 2.3454 2.4748 PRESSURE: 4563800 37.5968 -21.6326 -96.6879 -21.6328 154.358 -4.12305 -96.6879 -4.12297 60.8553 GPRESSURE: 4563800 60.1653 -134.418 -167.539 80.301 206.669 9.3244 -126.954 -24.4781 77.4183 PRESSAVG: 4563800 61.0078 -11.6918 25.7177 -11.6919 15.0926 -38.7467 25.7177 -38.7468 -60.9345 GPRESSAVG: 4563800 61.3297 -11.2981 24.4032 -10.9151 14.0863 -37.0269 24.8178 -37.9416 -60.6801 TIMING: 4563800 CPU: 13717.3, 0.00308141/step Wall: 13717.3, 0.00308141/step, 0.373365 hours remaining, 206.765625 MB of memory in use. ENERGY: 4563800 768.1748 2031.1157 1954.7289 97.7840 -206089.2978 17936.3703 0.0000 0.0000 34212.5792 -149088.5449 298.7870 -183301.1241 -148987.6880 299.4527 84.2701 114.7507 557860.5869 5.0553 4.9120 PRESSURE: 4564000 -110.053 -22.5166 -127.634 -22.5165 -242.17 -172.758 -127.633 -172.759 -159.576 GPRESSURE: 4564000 -78.8519 4.2587 -157.3 50.3293 -178.426 -70.598 -168.238 -276.87 -152.661 PRESSAVG: 4564000 25.2276 -12.8209 -56.9011 -12.8207 6.49947 36.8557 -56.9011 36.8558 -46.6763 GPRESSAVG: 4564000 25.2316 -12.9471 -56.4156 -13.7978 6.66237 37.0239 -55.5291 36.1704 -46.6053 TIMING: 4564000 CPU: 13717.9, 0.00307232/step Wall: 13717.9, 0.00307232/step, 0.372093 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: 4564000 753.6946 2079.6099 1948.5952 123.8139 -205820.3646 17453.4420 0.0000 0.0000 34197.8098 -149263.3991 298.6580 -183461.2090 -149163.8057 299.2760 -170.5998 -136.6463 558026.2005 -4.9831 -4.9038 PRESSURE: 4564200 -64.8574 -53.7581 82.6775 -53.7569 137.576 69.4834 82.6778 69.4848 27.3661 GPRESSURE: 4564200 -27.9191 -35.746 85.7236 -22.0619 220.611 70.5244 118.892 26.7396 6.7773 PRESSAVG: 4564200 -7.77186 -11.2898 -15.5279 -11.2898 10.1158 63.2302 -15.5278 63.2302 -19.9233 GPRESSAVG: 4564200 -8.59397 -10.6262 -15.9146 -11.3016 11.335 62.6884 -15.6963 65.3464 -20.6713 TIMING: 4564200 CPU: 13718.5, 0.00305081/step Wall: 13718.5, 0.00305081/step, 0.369318 hours remaining, 206.765625 MB of memory in use. ENERGY: 4564200 774.7930 2069.5183 1935.0893 114.9314 -206235.2939 18014.3164 0.0000 0.0000 34060.8263 -149265.8194 297.4617 -183326.6456 -149167.0938 298.9094 33.3616 66.4898 558647.6088 -5.8598 -5.9768 LDB: ============= START OF LOAD BALANCING ============== 13721.9 LDB: ============== END OF LOAD BALANCING =============== 13721.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13721.9 LDB: ============= START OF LOAD BALANCING ============== 13722.2 LDB: Largest compute 4820 load 0.026362 is 22.3% of average load 0.118096 LDB: Average compute 0.001744 is 1.5% of average load 0.118096 LDB: TIME 13722.2 LOAD: AVG 0.118096 MAX 0.219603 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.301 MB LDB: TIME 13722.2 LOAD: AVG 0.118096 MAX 0.219603 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.301 MB LDB: TIME 13722.2 LOAD: AVG 0.118096 MAX 0.219603 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.301 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13722.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13722.2 PRESSURE: 4564400 -280.492 92.8355 67.9324 92.8357 -264.766 27.3564 67.9321 27.3558 15.7842 GPRESSURE: 4564400 -219.017 55.1418 109.454 74.3782 -256.949 76.6922 52.0504 -6.15835 37.7121 PRESSAVG: 4564400 5.23525 -28.7828 5.23344 -28.7829 13.597 -40.5863 5.23347 -40.5862 -2.20576 GPRESSAVG: 4564400 5.80274 -28.8279 6.88529 -30.4392 12.8597 -39.267 4.94925 -43.4426 -2.13723 TIMING: 4564400 CPU: 13719.1, 0.00310763/step Wall: 13719.1, 0.00310763/step, 0.376023 hours remaining, 208.558594 MB of memory in use. ENERGY: 4564400 761.3368 2046.5397 1928.8267 112.9965 -205968.9797 17677.2917 0.0000 0.0000 34093.2043 -149348.7840 297.7444 -183441.9883 -149254.2631 298.5206 -176.4912 -146.0848 559392.5146 5.5422 5.5084 PRESSURE: 4564600 213.175 -142.521 -10.6161 -142.519 52.06 -22.5477 -10.6163 -22.5461 -154.746 GPRESSURE: 4564600 245.684 -118.722 0.641041 -172.173 88.6595 3.5348 38.9678 11.3526 -108.329 PRESSAVG: 4564600 49.2976 42.4398 -0.373356 42.4398 -91.6982 -31.5314 -0.373307 -31.5314 16.1412 GPRESSAVG: 4564600 48.2643 42.8409 -1.0783 42.5532 -91.3989 -31.8173 2.00315 -30.7186 16.8993 TIMING: 4564600 CPU: 13719.7, 0.00301567/step Wall: 13719.7, 0.00301567/step, 0.364728 hours remaining, 208.757812 MB of memory in use. ENERGY: 4564600 784.4206 2016.2088 1961.4601 102.0486 -206394.6606 18087.9173 0.0000 0.0000 34034.2306 -149408.3746 297.2294 -183442.6052 -149311.1864 298.2892 36.8297 75.3381 558891.2200 -8.7531 -8.7451 PRESSURE: 4564800 -56.2794 4.67791 84.9959 4.67775 -88.933 28.5291 84.9955 28.5284 217.498 GPRESSURE: 4564800 -30.8312 52.3025 21.1814 53.7082 -48.7795 -14.04 78.5379 13.6461 265.341 PRESSAVG: 4564800 58.9822 16.9831 34.0479 16.983 9.92709 -13.9583 34.048 -13.9583 -13.4595 GPRESSAVG: 4564800 59.6062 15.0493 36.3869 19.3302 9.50382 -15.231 30.7641 -13.2354 -13.4307 TIMING: 4564800 CPU: 13720.3, 0.00301105/step Wall: 13720.3, 0.00301105/step, 0.364002 hours remaining, 208.757812 MB of memory in use. ENERGY: 4564800 739.1342 2027.6375 1928.4373 103.3426 -206510.4341 18046.4445 0.0000 0.0000 34309.8865 -149355.5515 299.6368 -183665.4380 -149258.1776 297.7590 24.0951 61.9102 558984.9721 18.4833 18.5598 PRESSURE: 4565000 -23.4319 -41.8837 56.6592 -41.8836 -137.78 45.7195 56.658 45.7188 -63.8992 GPRESSURE: 4565000 43.4582 -91.0353 55.7222 -31.3708 -159.886 166.063 42.2957 3.36854 -7.75161 PRESSAVG: 4565000 20.519 42.6022 77.2842 42.6022 12.9967 -11.261 77.2842 -11.2609 -25.6578 GPRESSAVG: 4565000 20.2368 44.5519 76.7954 42.0021 13.8146 -11.0884 77.3677 -11.0487 -26.7796 TIMING: 4565000 CPU: 13720.9, 0.0030343/step Wall: 13720.9, 0.0030343/step, 0.366645 hours remaining, 208.757812 MB of memory in use. ENERGY: 4565000 690.9961 2044.6387 1937.4525 113.7220 -205597.6276 17534.1153 0.0000 0.0000 34114.3344 -149162.3687 297.9290 -183276.7031 -149064.9644 298.6575 -75.0370 -41.3932 557162.1938 2.6193 2.4239 PRESSURE: 4565200 62.6473 74.6928 154.552 74.692 -134.514 50.4391 154.552 50.4406 -271.011 GPRESSURE: 4565200 105.851 45.0125 104.684 125.576 -127.425 103.17 243.666 -57.7881 -223.608 PRESSAVG: 4565200 29.2799 35.1775 -17.3318 35.1776 8.64584 15.007 -17.3317 15.0068 -25.5532 GPRESSAVG: 4565200 28.7993 36.0317 -18.2801 33.9935 7.95528 16.3956 -16.562 15.5177 -23.8283 TIMING: 4565200 CPU: 13721.5, 0.0030278/step Wall: 13721.5, 0.0030278/step, 0.365691 hours remaining, 208.757812 MB of memory in use. ENERGY: 4565200 739.4645 2070.4951 1938.2772 111.9732 -205779.5827 17498.6840 0.0000 0.0000 34091.0856 -149329.6032 297.7259 -183420.6888 -149232.0612 297.6098 -114.2926 -81.7272 557128.3437 4.1242 4.3088 PRESSURE: 4565400 -65.657 17.3267 131.075 17.3258 -184.694 -54.9775 131.076 -54.9782 356.206 GPRESSURE: 4565400 -43.8734 30.0246 116.233 -31.5534 -119.53 -50.1172 127.7 -73.137 369.353 PRESSAVG: 4565400 36.4297 44.1906 -62.6323 44.1905 -54.4148 -3.0205 -62.6323 -3.0205 -16.0941 GPRESSAVG: 4565400 36.2537 41.8664 -62.0589 45.8864 -53.721 -3.68228 -64.1597 -4.93308 -16.9935 TIMING: 4565400 CPU: 13722.1, 0.0030338/step Wall: 13722.1, 0.0030338/step, 0.366247 hours remaining, 208.757812 MB of memory in use. ENERGY: 4565400 740.4667 2053.4745 1932.7615 107.7999 -206162.5267 17693.0915 0.0000 0.0000 34206.8225 -149428.1101 298.7367 -183634.9326 -149325.7967 297.9328 35.2849 68.6498 555667.9738 -11.3597 -11.4869 PRESSURE: 4565600 -236.862 63.0966 146.588 63.0961 -79.129 19.9879 146.588 19.9874 -94.0073 GPRESSURE: 4565600 -190.313 56.8031 119.38 32.8858 -98.0848 35.4879 213.8 40.7722 -33.1415 PRESSAVG: 4565600 16.9902 2.65098 -42.7444 2.65099 -20.6068 -72.9719 -42.7444 -72.9719 1.39622 GPRESSAVG: 4565600 16.5704 3.19101 -42.9072 -0.155763 -20.9721 -72.9618 -39.3596 -72.3181 2.0534 TIMING: 4565600 CPU: 13722.7, 0.00306788/step Wall: 13722.7, 0.00306788/step, 0.370191 hours remaining, 208.757812 MB of memory in use. ENERGY: 4565600 729.3094 2068.0406 1951.8648 122.1410 -205953.8798 17550.3322 0.0000 0.0000 34033.0458 -149499.1461 297.2191 -183532.1919 -149402.9355 297.9735 -136.6662 -107.1798 557152.7751 -0.7401 -0.7828 PRESSURE: 4565800 -60.2085 75.8223 -29.251 75.8217 -185.445 346.165 -29.2509 346.164 -114.486 GPRESSURE: 4565800 -53.6347 -9.89849 30.0935 96.9173 -222.547 351.366 -54.7882 283.697 12.0725 PRESSAVG: 4565800 -9.42259 -4.96377 -40.8449 -4.96369 -53.7493 -11.8802 -40.8451 -11.8802 47.4415 GPRESSAVG: 4565800 -8.63496 -3.06615 -41.4388 -3.26999 -53.4612 -11.1574 -42.3506 -12.7781 46.2217 TIMING: 4565800 CPU: 13723.3, 0.00303895/step Wall: 13723.3, 0.00303895/step, 0.366532 hours remaining, 208.757812 MB of memory in use. ENERGY: 4565800 755.2536 2077.2777 1945.9330 113.3471 -205958.8183 17586.5941 0.0000 0.0000 34148.4219 -149331.9909 298.2267 -183480.4128 -149246.2561 298.2074 -120.0462 -88.0363 557673.2716 -5.2434 -5.2915 PRESSURE: 4566000 175.829 83.2066 11.3093 83.206 80.231 -62.4205 11.3096 -62.4201 74.5978 GPRESSURE: 4566000 104.306 92.8124 -31.3722 96.1822 189.322 -60.4288 56.6683 -95.8988 138.602 PRESSAVG: 4566000 39.9307 1.63603 -34.2882 1.63588 34.0588 34.0101 -34.2883 34.0102 -82.6673 GPRESSAVG: 4566000 39.3526 -0.173599 -34.3756 1.14902 33.4134 34.6588 -34.3497 34.9995 -81.1919 TIMING: 4566000 CPU: 13724, 0.00304393/step Wall: 13724, 0.00304393/step, 0.366962 hours remaining, 208.757812 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: 4566000 723.9623 2073.0264 1931.7907 114.3340 -206034.4833 17900.0398 0.0000 0.0000 34089.4934 -149201.8367 297.7120 -183291.3301 -149104.2353 298.9302 110.2191 144.0768 556260.9064 -2.8926 -2.8086 PRESSURE: 4566200 4.29586 -285.713 -46.6978 -285.714 56.5349 12.4281 -46.6987 12.4283 -130.097 GPRESSURE: 4566200 44.326 -284.137 -11.4617 -234.872 88.847 -22.4028 -64.9132 67.0298 -93.3102 PRESSAVG: 4566200 71.3306 -11.1478 -42.7567 -11.1479 2.10608 65.024 -42.7568 65.024 -110.442 GPRESSAVG: 4566200 71.8246 -10.442 -39.8633 -11.9741 1.29216 64.0461 -44.5174 64.914 -110.102 TIMING: 4566200 CPU: 13724.6, 0.00307209/step Wall: 13724.6, 0.00307209/step, 0.370186 hours remaining, 208.757812 MB of memory in use. ENERGY: 4566200 724.3655 2131.9310 1939.0058 120.7271 -206105.9617 17665.2947 0.0000 0.0000 34110.4706 -149414.1669 297.8952 -183524.6375 -149322.0144 298.7052 -23.0888 13.2876 556336.9621 -12.3349 -12.3284 PRESSURE: 4566400 -218.277 -89.9492 73.7154 -89.9479 -85.77 -42.0666 73.7157 -42.0669 -121.91 GPRESSURE: 4566400 -190.317 -122.388 71.7079 -95.3593 -34.1569 -53.0583 5.41559 14.4126 -92.0243 PRESSAVG: 4566400 3.90668 -94.8852 -68.1493 -94.8853 48.411 -17.8976 -68.1493 -17.8975 -33.2263 GPRESSAVG: 4566400 1.77635 -96.199 -70.996 -94.245 49.3077 -17.9851 -68.3037 -19.5201 -31.2541 TIMING: 4566400 CPU: 13725.2, 0.00307732/step Wall: 13725.2, 0.00307732/step, 0.370646 hours remaining, 208.757812 MB of memory in use. ENERGY: 4566400 725.8369 2057.5030 1930.7666 113.8571 -206128.2684 17585.5529 0.0000 0.0000 34299.6558 -149415.0962 299.5474 -183714.7520 -149311.8606 299.1430 -141.9859 -105.4994 556870.1655 6.3638 6.6100 PRESSURE: 4566600 47.7229 94.4233 -60.0292 94.4232 -170.33 -34.257 -60.0289 -34.258 -21.2527 GPRESSURE: 4566600 91.5264 101.043 -37.6155 87.5304 -171.737 23.8433 33.9973 -52.9072 48.7821 PRESSAVG: 4566600 -42.5903 -7.83124 -18.6793 -7.83124 -14.5061 45.9445 -18.6794 45.9445 1.00762 GPRESSAVG: 4566600 -41.9315 -6.41909 -19.4922 -6.50011 -14.0151 46.2301 -16.6407 48.0415 -0.0593499 TIMING: 4566600 CPU: 13725.8, 0.00307325/step Wall: 13725.8, 0.00307325/step, 0.369985 hours remaining, 208.757812 MB of memory in use. ENERGY: 4566600 718.3564 2018.1911 1935.5549 95.1579 -205920.9045 17660.8065 0.0000 0.0000 34166.2654 -149326.5722 298.3825 -183492.8376 -149228.9862 299.4478 -47.9533 -10.4761 557516.9152 -18.6963 -18.6686 PRESSURE: 4566800 -302.373 -43.0104 -194.483 -43.0113 -164.517 -26.9485 -194.485 -26.9491 -248.636 GPRESSURE: 4566800 -264.308 -74.3219 -83.0233 -64.5078 -115.448 -117.793 -199.524 -76.7321 -233.4 PRESSAVG: 4566800 19.1257 -47.517 -0.630123 -47.5171 -44.973 -0.0987994 -0.630156 -0.0988192 42.6987 GPRESSAVG: 4566800 19.9003 -49.6514 0.957688 -45.9634 -45.0132 -0.388137 -1.23588 -1.63332 42.7272 TIMING: 4566800 CPU: 13726.4, 0.00305359/step Wall: 13726.4, 0.00305359/step, 0.367448 hours remaining, 208.757812 MB of memory in use. ENERGY: 4566800 753.7279 2087.3601 1946.2230 113.6904 -206352.5353 17552.0328 0.0000 0.0000 34513.5274 -149385.9737 301.4152 -183899.5010 -149289.6342 298.8065 -238.5085 -204.3854 556825.1029 5.6171 5.8714 PRESSURE: 4567000 72.5807 3.70393 -23.5686 3.70388 46.6237 -80.81 -23.5691 -80.811 19.7682 GPRESSURE: 4567000 70.6115 16.4617 14.66 -11.1689 85.9679 19.9492 -19.4654 -54.1957 61.1586 PRESSAVG: 4567000 22.2965 -91.6555 40.1854 -91.6555 -24.5789 -28.1893 40.1853 -28.1894 3.71125 GPRESSAVG: 4567000 23.2073 -89.2645 39.7414 -93.5087 -25.7828 -29.383 39.9981 -24.0262 4.02878 TIMING: 4567000 CPU: 13727, 0.00306776/step Wall: 13727, 0.00306775/step, 0.368983 hours remaining, 208.757812 MB of memory in use. ENERGY: 4567000 754.2566 2103.7889 1954.1554 119.2481 -206536.9692 17965.9919 0.0000 0.0000 34324.5978 -149314.9304 299.7652 -183639.5282 -149216.4205 298.9998 46.3242 72.5793 556938.2844 0.4763 0.4844 PRESSURE: 4567200 -43.3195 -15.9762 20.1639 -15.9747 -257.465 79.5017 20.1633 79.5012 -243.419 GPRESSURE: 4567200 -93.5581 -28.4553 90.8761 -2.43788 -133.088 20.3835 5.21887 70.0626 -214.586 PRESSAVG: 4567200 8.77289 -21.7612 -16.3721 -21.7612 15.1285 10.5661 -16.3722 10.5661 -6.76745 GPRESSAVG: 4567200 10.17 -20.9421 -17.6485 -22.7933 15.2705 11.6359 -16.5192 8.15291 -8.35714 TIMING: 4567200 CPU: 13727.6, 0.00306197/step Wall: 13727.6, 0.00306197/step, 0.368117 hours remaining, 208.757812 MB of memory in use. ENERGY: 4567200 726.2492 2053.0771 1967.1160 121.1528 -205943.2291 17596.0501 0.0000 0.0000 34104.4355 -149375.1483 297.8425 -183479.5838 -149278.4161 298.5502 -181.4011 -147.0774 556902.3097 5.7113 5.6945 PRESSURE: 4567400 44.9787 -172.414 28.1268 -172.414 -21.7736 27.9115 28.1264 27.9109 -8.37823 GPRESSURE: 4567400 35.4917 -206.692 -108.067 -100.201 -12.6039 -5.99913 87.0635 105.218 87.3688 PRESSAVG: 4567400 27.448 -41.8187 12.9068 -41.8187 -53.6774 26.0647 12.9068 26.0646 26.0544 GPRESSAVG: 4567400 28.0174 -43.897 13.5814 -39.6913 -53.6964 24.9255 14.4785 26.002 25.8721 TIMING: 4567400 CPU: 13728.2, 0.00305299/step Wall: 13728.2, 0.00305299/step, 0.366868 hours remaining, 208.757812 MB of memory in use. ENERGY: 4567400 741.7229 2136.3374 1950.4149 110.3579 -205851.9585 17680.3632 0.0000 0.0000 34151.9403 -149080.8217 298.2574 -183232.7620 -148984.4714 298.9835 4.9423 36.7522 556965.9005 -0.0583 0.0644 PRESSURE: 4567600 -42.644 -12.2636 1.01407 -12.2636 160.334 -59.8372 1.01351 -59.8371 348.66 GPRESSURE: 4567600 34.4772 -53.7516 -13.2979 -18.9565 192.619 16.1791 -8.14536 -132.988 352.359 PRESSAVG: 4567600 27.8277 -40.5146 -17.4959 -40.5146 -39.5847 -26.7361 -17.4959 -26.7361 33.904 GPRESSAVG: 4567600 26.9658 -42.056 -21.4547 -42.1798 -39.4811 -26.4687 -18.0892 -26.1261 34.5962 TIMING: 4567600 CPU: 13728.9, 0.00305828/step Wall: 13728.9, 0.00305828/step, 0.367334 hours remaining, 208.757812 MB of memory in use. ENERGY: 4567600 747.4856 2063.7251 1934.7108 125.6787 -206105.9964 17870.6013 0.0000 0.0000 34378.7615 -148985.0334 300.2383 -183363.7949 -148894.9687 299.9281 155.4500 193.1518 556479.4073 7.3824 7.3603 PRESSURE: 4567800 51.0916 -14.1171 -53.3695 -14.117 -255.137 -41.6188 -53.3704 -41.618 -26.5183 GPRESSURE: 4567800 19.7793 56.6694 24.4639 -14.1047 -193.965 -135.744 -114.02 62.5401 42.4222 PRESSAVG: 4567800 -27.6132 -38.5611 -31.2866 -38.5611 -13.5562 14.261 -31.2866 14.261 31.4013 GPRESSAVG: 4567800 -28.1473 -36.123 -27.9924 -38.6927 -14.0746 15.1704 -33.1982 13.384 32.0347 TIMING: 4567800 CPU: 13729.5, 0.00303773/step Wall: 13729.5, 0.00303773/step, 0.364697 hours remaining, 208.757812 MB of memory in use. ENERGY: 4567800 733.6266 2087.1763 1938.2817 107.6380 -205757.6223 17629.9838 0.0000 0.0000 34361.9136 -148899.0024 300.0911 -183260.9160 -148804.5251 299.9722 -76.8546 -43.9213 557127.2072 -3.2561 -3.3958 PRESSURE: 4568000 40.5128 -159.113 133.419 -159.113 -156.635 -44.8697 133.418 -44.8696 -111.6 GPRESSURE: 4568000 10.7271 -170.272 69.8138 -142.43 -55.2883 -57.0446 192.992 -19.3782 -68.2085 PRESSAVG: 4568000 -17.9702 47.234 -0.791107 47.234 -7.81784 -30.9902 -0.791173 -30.99 28.1478 GPRESSAVG: 4568000 -17.993 45.5529 0.164003 48.4422 -6.34876 -31.9444 -1.08773 -30.2273 27.2242 TIMING: 4568000 CPU: 13730.1, 0.00304785/step Wall: 13730.1, 0.00304785/step, 0.365742 hours remaining, 208.757812 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: 4568000 744.6823 2098.0217 1964.1714 118.3188 -206019.7704 17793.2657 0.0000 0.0000 34277.9450 -149023.3655 299.3578 -183301.3105 -148923.8758 300.2166 -75.9076 -37.5899 556806.2132 0.7866 0.9608 PRESSURE: 4568200 47.7114 -5.48121 -149.543 -5.48151 -15.4857 -61.3304 -149.542 -61.3311 29.7105 GPRESSURE: 4568200 98.0509 -11.8951 -173.101 -8.89292 -1.81024 -48.1463 -40.8429 -30.6083 67.2956 PRESSAVG: 4568200 -46.1226 -4.54337 64.2138 -4.54338 -3.64005 25.4366 64.2138 25.4367 13.8196 GPRESSAVG: 4568200 -46.0299 -3.8639 64.2763 -7.04309 -4.03692 25.7158 66.2812 25.2485 14.6458 TIMING: 4568200 CPU: 13730.7, 0.00304528/step Wall: 13730.7, 0.00304528/step, 0.365264 hours remaining, 208.757812 MB of memory in use. ENERGY: 4568200 764.4439 2095.1262 1958.3665 121.0734 -206321.6095 17987.5857 0.0000 0.0000 34375.9935 -149019.0204 300.2141 -183395.0138 -148922.0446 299.2965 20.6454 54.5121 558081.0941 -11.9810 -11.8070 LDB: ============= START OF LOAD BALANCING ============== 13734.1 LDB: ============== END OF LOAD BALANCING =============== 13734.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13734.1 LDB: ============= START OF LOAD BALANCING ============== 13734.4 LDB: Largest compute 4820 load 0.024948 is 21.1% of average load 0.118173 LDB: Average compute 0.001733 is 1.5% of average load 0.118173 LDB: TIME 13734.4 LOAD: AVG 0.118173 MAX 0.2228 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 13734.4 LOAD: AVG 0.118173 MAX 0.2228 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.992 MB LDB: TIME 13734.4 LOAD: AVG 0.118173 MAX 0.2228 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.992 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13734.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13734.4 PRESSURE: 4568400 8.33094 -46.1362 -49.5284 -46.1366 227.447 45.3155 -49.5281 45.3154 130.13 GPRESSURE: 4568400 13.9815 -2.14168 -31.5859 -78.3494 286.176 95.7829 14.2872 74.406 160.512 PRESSAVG: 4568400 -15.8114 3.48409 -6.76822 3.4841 17.8743 -15.0703 -6.76824 -15.0703 12.4681 GPRESSAVG: 4568400 -16.0453 4.45208 -8.15421 3.62626 18.0244 -15.4397 -6.56326 -13.6666 12.3585 TIMING: 4568400 CPU: 13731.3, 0.00312981/step Wall: 13731.3, 0.00312981/step, 0.375229 hours remaining, 208.750000 MB of memory in use. ENERGY: 4568400 749.5065 2077.8490 1965.9574 114.8166 -206473.3655 18053.3828 0.0000 0.0000 34489.0881 -149022.7650 301.2018 -183511.8532 -148931.6225 299.8675 121.9692 153.5566 558525.7551 4.8437 4.7792 PRESSURE: 4568600 119.511 -56.3203 32.4752 -56.3191 174.94 -84.2303 32.4745 -84.2321 19.4248 GPRESSURE: 4568600 128.077 -93.7136 -29.3163 -75.1193 234.17 -81.1948 23.415 -116.452 44.8291 PRESSAVG: 4568600 10.5399 -1.00346 -4.08107 -1.00343 21.5281 -14.9934 -4.08117 -14.9934 8.79122 GPRESSAVG: 4568600 10.7726 -2.23497 -3.59463 -0.484501 21.7131 -15.547 -3.57488 -14.8304 8.31606 TIMING: 4568600 CPU: 13731.9, 0.00309301/step Wall: 13731.9, 0.00309301/step, 0.370646 hours remaining, 208.750000 MB of memory in use. ENERGY: 4568600 770.4016 2112.0627 1921.1654 116.7929 -206723.3143 18021.4877 0.0000 0.0000 34547.4236 -149233.9804 301.7112 -183781.4040 -149131.6880 300.1351 104.6255 135.6918 556569.7323 13.6197 13.6006 PRESSURE: 4568800 -267.567 -195.683 20.2327 -195.682 -233.023 102.634 20.2332 102.635 -209.635 GPRESSURE: 4568800 -223.819 -160.293 3.94453 -158.945 -214.217 139.191 36.2624 105.697 -178.893 PRESSAVG: 4568800 16.3947 14.6577 14.4392 14.6577 -16.4889 7.5067 14.4392 7.50673 1.51334 GPRESSAVG: 4568800 16.4264 15.5325 14.2852 13.519 -16.0296 7.80928 14.3623 7.21247 1.18095 TIMING: 4568800 CPU: 13732.5, 0.00305729/step Wall: 13732.5, 0.00305729/step, 0.366195 hours remaining, 208.750000 MB of memory in use. ENERGY: 4568800 759.9144 2091.6858 1937.7300 114.7559 -205687.9326 17420.6012 0.0000 0.0000 34011.6793 -149351.5660 297.0325 -183363.2453 -149261.8589 299.0955 -236.7415 -205.6428 558128.2839 0.4730 0.5259 PRESSURE: 4569000 -294.983 -0.0471396 65.4861 -0.046636 -310.628 -19.5422 65.4875 -19.5414 -191.739 GPRESSURE: 4569000 -270.307 -16.9144 182.19 -20.3265 -306.173 -65.5721 -41.5056 -43.5197 -133.137 PRESSAVG: 4569000 -7.65272 -28.6534 -4.88877 -28.6534 -18.0015 -54.7377 -4.88872 -54.7378 33.9803 GPRESSAVG: 4569000 -7.80155 -28.8947 -5.14615 -26.3084 -18.6097 -54.6599 -4.03883 -57.4301 34.8822 TIMING: 4569000 CPU: 13733.1, 0.00303048/step Wall: 13733.1, 0.00303048/step, 0.362815 hours remaining, 208.750000 MB of memory in use. ENERGY: 4569000 747.0436 2105.7419 1973.3451 115.2853 -205883.3400 17538.2189 0.0000 0.0000 34166.0112 -149237.6939 298.3803 -183403.7052 -149143.4659 298.7782 -265.7837 -236.5393 558076.5628 2.7754 2.8236 PRESSURE: 4569200 55.6953 -74.3485 127.435 -74.3507 57.0782 -12.2207 127.433 -12.2202 -71.6591 GPRESSURE: 4569200 103.706 8.60713 189.34 -85.1459 90.0132 -20.7948 83.1723 10.3348 -56.1204 PRESSAVG: 4569200 11.4177 -24.1255 -1.31141 -24.1255 -9.09785 8.08024 -1.31136 8.08026 -2.58804 GPRESSAVG: 4569200 10.762 -24.4648 0.321604 -26.2117 -9.03994 6.78472 -4.02011 10.7286 -2.16259 TIMING: 4569200 CPU: 13733.7, 0.00301326/step Wall: 13733.7, 0.00301327/step, 0.360587 hours remaining, 208.750000 MB of memory in use. ENERGY: 4569200 740.2394 2138.9392 1932.3970 107.4277 -206292.6922 18015.6462 0.0000 0.0000 34111.9782 -149246.0644 297.9084 -183358.0426 -149152.1727 299.1092 13.7048 45.8662 558268.3293 -0.0894 -0.1468 PRESSURE: 4569400 4.2185 -34.4179 -178.229 -34.4181 44.8951 106.853 -178.228 106.853 286.157 GPRESSURE: 4569400 102.865 -24.9928 -228.578 -40.072 67.9948 119.429 -74.7583 108.864 281.485 PRESSAVG: 4569400 3.89483 -44.4785 53.4894 -44.4785 79.8497 3.02788 53.4893 3.02795 -69.2495 GPRESSAVG: 4569400 4.63735 -42.696 51.0274 -44.1183 79.145 4.88578 54.6667 2.31275 -69.2115 TIMING: 4569400 CPU: 13734.4, 0.00303884/step Wall: 13734.4, 0.00303884/step, 0.363479 hours remaining, 208.750000 MB of memory in use. ENERGY: 4569400 772.5878 2089.5163 1969.0987 111.0557 -206517.6839 18061.6225 0.0000 0.0000 34190.8816 -149322.9213 298.5975 -183513.8029 -149229.2480 298.7603 111.7567 150.7815 557494.9154 4.8317 4.8570 PRESSURE: 4569600 -268.798 118.163 -78.9224 118.164 -81.5176 -97.4836 -78.9228 -97.4837 -103.645 GPRESSURE: 4569600 -196.182 84.0843 -38.3695 104.723 -47.1003 -118.809 -68.0519 -73.2712 -106.536 PRESSAVG: 4569600 -40.6513 -17.1761 -5.13613 -17.1762 -29.0368 -24.5723 -5.13605 -24.5722 17.5234 GPRESSAVG: 4569600 -40.1949 -18.3422 -4.38975 -17.4309 -29.8343 -23.083 -3.04969 -25.7156 17.1685 TIMING: 4569600 CPU: 13735, 0.00303657/step Wall: 13735, 0.00303657/step, 0.363038 hours remaining, 208.750000 MB of memory in use. ENERGY: 4569600 761.8448 2052.3455 1962.9112 119.2455 -206187.3678 17717.6460 0.0000 0.0000 34023.2536 -149550.1213 297.1335 -183573.3749 -149450.6416 298.6718 -151.3200 -116.6061 559345.5267 -17.3882 -17.6202 PRESSURE: 4569800 -125.965 160.991 60.5415 160.99 34.3958 -8.19726 60.5411 -8.19525 163.467 GPRESSURE: 4569800 -74.7745 152.718 25.1605 133.623 68.2291 -54.0994 50.5857 -72.5376 179.723 PRESSAVG: 4569800 69.565 -39.8263 17.8126 -39.8263 17.9802 -19.6148 17.8126 -19.6149 -79.7258 GPRESSAVG: 4569800 68.6892 -42.3023 15.3908 -37.3734 18.176 -22.5755 16.2509 -19.17 -79.752 TIMING: 4569800 CPU: 13735.6, 0.00303696/step Wall: 13735.6, 0.00303696/step, 0.362917 hours remaining, 208.750000 MB of memory in use. ENERGY: 4569800 752.8535 2134.2702 1950.6734 121.8696 -206745.3705 18147.9181 0.0000 0.0000 34167.1385 -149470.6474 298.3901 -183637.7858 -149383.4361 298.5061 23.9662 57.7259 559265.5523 2.6065 2.3710 PRESSURE: 4570000 -92.7753 3.73716 19.6856 3.73818 -3.287 13.0471 19.6845 13.0485 -27.9862 GPRESSURE: 4570000 -57.6874 -10.0425 -6.23931 14.5021 85.4321 43.5572 34.2728 -31.327 -48.5435 PRESSAVG: 4570000 -37.0713 17.6589 17.6984 17.659 18.8786 -53.2618 17.6984 -53.2618 34.2744 GPRESSAVG: 4570000 -37.8347 21.3201 20.4816 11.788 19.1622 -51.8312 16.7021 -53.4047 34.7205 TIMING: 4570000 CPU: 13736.2, 0.00305452/step Wall: 13736.2, 0.00305452/step, 0.364846 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: 4570000 746.6390 2089.7405 1946.3707 111.9808 -206151.3817 17567.5467 0.0000 0.0000 34215.5262 -149473.5780 298.8127 -183689.1041 -149377.8966 298.7737 -41.3495 -6.9329 557591.4829 5.3606 5.3493 PRESSURE: 4570200 56.7658 53.9089 10.0131 53.9075 -44.0219 4.85043 10.012 4.85155 102.628 GPRESSURE: 4570200 125.8 38.0597 21.0546 5.98607 8.29329 99.1803 2.20531 -47.1714 74.5078 PRESSAVG: 4570200 -5.54856 -12.1703 -31.4901 -12.1703 26.083 -26.5537 -31.4902 -26.5537 -18.1281 GPRESSAVG: 4570200 -4.86022 -14.9902 -31.9549 -8.63523 25.7574 -26.842 -29.8008 -24.5411 -18.278 TIMING: 4570200 CPU: 13736.8, 0.00304241/step Wall: 13736.8, 0.00304241/step, 0.36323 hours remaining, 208.750000 MB of memory in use. ENERGY: 4570200 758.5963 2115.9622 1950.5037 112.2532 -206311.0813 17849.3513 0.0000 0.0000 34244.9703 -149279.4442 299.0698 -183524.4145 -149182.2312 298.7480 38.4575 69.5336 558015.7383 0.8021 0.8730 PRESSURE: 4570400 64.8854 154.857 -284.297 154.857 3.73562 -13.2919 -284.297 -13.2932 51.6704 GPRESSURE: 4570400 -8.15937 101.728 -224.017 103.643 70.5063 83.1916 -190.756 -52.217 168.618 PRESSAVG: 4570400 12.9647 -35.7332 18.4705 -35.7332 12.9515 7.193 18.4706 7.1931 22.5095 GPRESSAVG: 4570400 13.3336 -35.0588 17.0702 -36.2367 12.3724 6.52748 18.5751 7.1766 22.6848 TIMING: 4570400 CPU: 13737.4, 0.00302886/step Wall: 13737.4, 0.00302886/step, 0.361444 hours remaining, 208.750000 MB of memory in use. ENERGY: 4570400 745.3819 2130.0125 1946.0741 112.7990 -206731.1247 18100.8974 0.0000 0.0000 34237.7323 -149458.2275 299.0066 -183695.9598 -149367.7220 298.8723 40.0971 76.9884 557600.1672 16.1419 16.1303 PRESSURE: 4570600 110.224 -6.01677 -168.193 -6.01703 -75.2311 -74.8571 -168.192 -74.8574 -79.5602 GPRESSURE: 4570600 136.093 -33.8978 -187.847 23.2658 -17.624 -51.6805 -91.1301 -51.6731 -66.5278 PRESSAVG: 4570600 0.28287 43.6472 -35.7686 43.6472 -15.4644 14.7982 -35.7685 14.7983 85.0622 GPRESSAVG: 4570600 -1.35309 42.5028 -33.4367 43.4307 -13.4768 17.2714 -36.0736 13.6686 84.576 TIMING: 4570600 CPU: 13738, 0.00303163/step Wall: 13738, 0.00303163/step, 0.361606 hours remaining, 208.750000 MB of memory in use. ENERGY: 4570600 746.0939 2126.1120 1918.7755 117.4683 -206247.6421 17818.9649 0.0000 0.0000 34210.8972 -149309.3303 298.7723 -183520.2275 -149219.2200 298.4408 -14.8557 17.3137 557195.6408 23.2935 23.2487 PRESSURE: 4570800 75.9544 -69.5906 -52.8382 -69.5915 -130.079 21.8378 -52.8376 21.8373 -87.0104 GPRESSURE: 4570800 99.3939 -16.4361 -17.6325 -24.6007 -93.4595 -86.9132 -90.2347 64.7278 -62.3062 PRESSAVG: 4570800 -46.2456 -20.2875 -50.1264 -20.2876 -25.2193 38.7578 -50.1263 38.7578 70.0926 GPRESSAVG: 4570800 -45.4716 -20.2554 -51.0599 -19.996 -25.9709 37.4333 -50.6701 39.1204 69.3531 TIMING: 4570800 CPU: 13738.6, 0.00304082/step Wall: 13738.6, 0.00304082/step, 0.362534 hours remaining, 208.750000 MB of memory in use. ENERGY: 4570800 754.9018 2151.2289 1956.5785 105.0034 -206340.2196 17631.3604 0.0000 0.0000 34460.5012 -149280.6454 300.9521 -183741.1466 -149187.7117 299.3828 -47.0451 -18.7906 556964.4635 -0.4574 -0.6965 PRESSURE: 4571000 166.886 103.945 -104.722 103.945 33.438 -68.1016 -104.721 -68.1008 -87.3152 GPRESSURE: 4571000 174.238 16.5176 -108.076 147.076 57.488 -64.6773 -99.2482 -100.579 -14.7988 PRESSAVG: 4571000 36.2357 -8.65193 12.3475 -8.65195 -74.4899 3.08547 12.3474 3.08543 66.839 GPRESSAVG: 4571000 36.3455 -8.56188 11.2919 -7.62913 -74.9805 1.45019 12.335 3.94951 67.5608 TIMING: 4571000 CPU: 13739.2, 0.0030388/step Wall: 13739.2, 0.0030388/step, 0.362124 hours remaining, 208.750000 MB of memory in use. ENERGY: 4571000 738.9859 2182.0091 1920.1956 110.0152 -206472.1714 18029.0161 0.0000 0.0000 34061.8158 -149430.1336 297.4703 -183491.9494 -149341.5091 298.9157 37.6695 72.3089 556869.1605 9.5283 9.6419 PRESSURE: 4571200 -2.32524 115.589 -123.678 115.59 -78.1837 120.6 -123.679 120.599 123.138 GPRESSURE: 4571200 15.8863 115.041 -99.2064 115.326 -24.9215 189.303 -112.917 110.515 158.069 PRESSAVG: 4571200 5.48755 34.7643 38.2354 34.7643 -44.1654 28.7837 38.2354 28.7837 15.7116 GPRESSAVG: 4571200 4.69368 35.0328 41.2065 34.7086 -43.8734 29.1786 35.9198 29.2453 15.9792 TIMING: 4571200 CPU: 13739.8, 0.00305528/step Wall: 13739.8, 0.00305528/step, 0.363918 hours remaining, 208.750000 MB of memory in use. ENERGY: 4571200 733.5337 2114.5560 1959.8591 125.8156 -206291.6698 17809.9588 0.0000 0.0000 34142.8343 -149405.1123 298.1779 -183547.9466 -149310.0648 298.4992 14.2098 49.6778 556923.5280 -7.6554 -7.7335 PRESSURE: 4571400 -222.183 -13.7204 67.1474 -13.7203 57.5254 162.302 67.147 162.302 -37.5519 GPRESSURE: 4571400 -181.936 -19.0523 69.8255 54.0952 89.6433 143.561 44.6726 106.65 -21.7622 PRESSAVG: 4571400 12.4176 17.946 -12.3094 17.946 25.6706 90.6029 -12.3094 90.6029 -34.4372 GPRESSAVG: 4571400 13.5769 20.3789 -14.7692 17.5235 25.0422 88.3679 -11.9819 90.1303 -35.0267 TIMING: 4571400 CPU: 13740.4, 0.00303153/step Wall: 13740.4, 0.00303153/step, 0.360921 hours remaining, 208.750000 MB of memory in use. ENERGY: 4571400 747.2080 2133.7042 1929.9266 110.0826 -206500.8232 17852.9235 0.0000 0.0000 34182.1273 -149544.8510 298.5210 -183726.9783 -149449.6280 298.7029 -67.4032 -38.0182 558225.2473 1.2170 1.1975 PRESSURE: 4571600 -122.422 82.8374 -175.306 82.8361 -207.383 -222.121 -175.305 -222.122 -22.5749 GPRESSURE: 4571600 -27.2627 146.103 -140.472 56.7836 -163.179 -254.906 -179.547 -157.495 -57.39 PRESSAVG: 4571600 8.54897 -20.1131 -53.7488 -20.1131 -41.4869 10.3737 -53.7487 10.3737 11.3129 GPRESSAVG: 4571600 9.10747 -21.875 -54.0015 -19.7304 -42.4129 10.0978 -53.0923 11.0677 11.9338 TIMING: 4571600 CPU: 13741, 0.00303394/step Wall: 13741, 0.00303394/step, 0.361039 hours remaining, 208.750000 MB of memory in use. ENERGY: 4571600 783.6479 2065.7813 1981.4608 111.8543 -206444.6782 17712.5353 0.0000 0.0000 34238.4273 -149550.9714 299.0127 -183789.3987 -149460.1384 298.2681 -117.4602 -82.6107 556925.5890 -7.2084 -7.1239 PRESSURE: 4571800 -206.58 76.9005 -37.4012 76.9003 -45.9734 -14.9762 -37.4 -14.9771 -114.877 GPRESSURE: 4571800 -117.658 83.5397 -105.787 61.6224 -39.4885 -52.0365 43.6505 14.4108 -101.517 PRESSAVG: 4571800 -32.8361 -61.2986 47.1924 -61.2987 22.4 5.07284 47.1924 5.0729 17.7703 GPRESSAVG: 4571800 -33.7609 -59.705 48.1442 -60.9874 23.6078 7.72487 47.1575 4.12347 17.5418 TIMING: 4571800 CPU: 13741.6, 0.00303721/step Wall: 13741.6, 0.00303721/step, 0.361259 hours remaining, 208.750000 MB of memory in use. ENERGY: 4571800 728.9028 2076.8603 1930.1145 115.8964 -206179.1027 17642.5089 0.0000 0.0000 34188.6638 -149496.1560 298.5781 -183684.8199 -149396.9467 298.6382 -122.4767 -86.2212 558692.6132 2.4447 2.4629 PRESSURE: 4572000 93.6038 348.951 176.358 348.951 -248.4 -4.70058 176.359 -4.69938 -54.4665 GPRESSURE: 4572000 121.762 335.674 91.5767 282.45 -224.749 31.0444 215.98 46.239 -7.89803 PRESSAVG: 4572000 -7.24582 64.4088 -3.61455 64.4088 88.0211 40.8357 -3.61448 40.8357 -31.1048 GPRESSAVG: 4572000 -7.47507 63.3981 -7.0731 61.6903 87.5194 41.3261 -0.276092 41.8823 -31.3536 TIMING: 4572000 CPU: 13742.3, 0.00303715/step Wall: 13742.3, 0.00303715/step, 0.361083 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: 4572000 713.1327 2116.3050 1943.0952 109.0096 -206337.3596 17662.5465 0.0000 0.0000 34271.6595 -149521.6112 299.3029 -183793.2707 -149431.1208 298.6020 -69.7543 -36.9617 556793.2951 16.5568 16.2303 PRESSURE: 4572200 -24.6662 57.6008 124.149 57.5996 319.42 -40.933 124.148 -40.9317 -119.414 GPRESSURE: 4572200 32.18 42.0782 165.131 146.991 305.914 -70.4248 108.834 -10.3939 -75.3774 PRESSAVG: 4572200 42.3347 47.2553 -33.4918 47.2553 25.5746 -2.96512 -33.4917 -2.96516 -41.8099 GPRESSAVG: 4572200 42.7916 46.9126 -31.1099 49.1452 26.0604 -4.2048 -35.4211 -4.38012 -42.1128 TIMING: 4572200 CPU: 13742.9, 0.00306601/step Wall: 13742.9, 0.00306601/step, 0.364344 hours remaining, 208.750000 MB of memory in use. ENERGY: 4572200 745.5888 2077.6027 1928.4764 107.3364 -206671.6755 17881.8711 0.0000 0.0000 34375.7284 -149555.0718 300.2118 -183930.8002 -149455.0847 298.7970 58.4464 87.5722 556262.4998 8.6998 8.9130 LDB: ============= START OF LOAD BALANCING ============== 13746.3 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13746.3 LDB: =============== DONE WITH MIGRATION ================ 13746.3 LDB: ============= START OF LOAD BALANCING ============== 13746.6 LDB: Largest compute 4820 load 0.025584 is 21.7% of average load 0.118128 LDB: Average compute 0.001735 is 1.5% of average load 0.118128 LDB: TIME 13746.6 LOAD: AVG 0.118128 MAX 0.215733 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 13746.6 LOAD: AVG 0.118128 MAX 0.215733 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.789 MB LDB: TIME 13746.6 LOAD: AVG 0.118128 MAX 0.215733 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.789 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13746.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13746.6 PRESSURE: 4572400 -78.5607 -43.4116 -20.9804 -43.4111 -24.5781 -81.5311 -20.9811 -81.5303 176.122 GPRESSURE: 4572400 -45.2598 -144.66 -2.65564 -36.5993 1.23304 -42.3079 -8.04023 46.0539 222.863 PRESSAVG: 4572400 -17.2593 23.6156 -33.8496 23.6156 74.8554 17.2029 -33.8496 17.2029 -51.0138 GPRESSAVG: 4572400 -17.3206 25.5562 -33.4606 22.0123 73.7876 19.0779 -35.3163 16.1773 -50.4557 TIMING: 4572400 CPU: 13743.5, 0.00309207/step Wall: 13743.5, 0.00309207/step, 0.367269 hours remaining, 208.558594 MB of memory in use. ENERGY: 4572400 753.6608 2061.1564 1931.2275 123.0956 -206694.6465 17956.4737 0.0000 0.0000 34211.7207 -149657.3117 298.7795 -183869.0324 -149556.7963 298.4544 24.3277 59.6122 556085.1349 2.1941 2.0038 PRESSURE: 4572600 47.0687 -14.044 7.87779 -14.0451 -145.936 89.2358 7.87701 89.2362 54.1486 GPRESSURE: 4572600 99.5503 -50.7494 82.7511 -73.5125 -69.4661 125.168 -12.9175 106.452 18.8546 PRESSAVG: 4572600 -18.5456 -25.6454 -1.14582 -25.6454 29.2262 -43.2099 -1.14585 -43.2099 2.69284 GPRESSAVG: 4572600 -18.6418 -26.2912 -1.58213 -24.0309 29.5903 -44.1202 -1.20837 -41.5308 2.12534 TIMING: 4572600 CPU: 13744.1, 0.0030452/step Wall: 13744.1, 0.0030452/step, 0.361533 hours remaining, 208.667969 MB of memory in use. ENERGY: 4572600 705.0516 2078.1713 1937.9584 111.9217 -206355.8158 17715.0859 0.0000 0.0000 34131.9386 -149675.6883 298.0827 -183807.6269 -149578.2414 297.5524 -14.9062 16.3129 556086.4880 4.4578 4.3580 PRESSURE: 4572800 -142.651 61.9063 -48.4212 61.9065 33.108 -127.726 -48.4221 -127.724 -92.759 GPRESSURE: 4572800 -102.508 50.6804 -39.8935 46.7269 93.9536 -138.563 -29.9735 -142.74 -93.8289 PRESSAVG: 4572800 5.05603 10.4222 17.5569 10.4221 -96.0022 -4.73932 17.557 -4.73932 48.0336 GPRESSAVG: 4572800 3.40884 9.56093 17.7359 11.4348 -97.0383 -5.6505 18.9552 -4.41504 50.6241 TIMING: 4572800 CPU: 13744.7, 0.00304169/step Wall: 13744.7, 0.00304169/step, 0.360947 hours remaining, 208.667969 MB of memory in use. ENERGY: 4572800 808.2270 2105.8187 1962.8766 107.6238 -206720.7981 17993.3551 0.0000 0.0000 33927.8855 -149815.0114 296.3007 -183742.8969 -149720.1705 297.8474 -67.4339 -34.1276 557647.8343 -14.3042 -14.3351 PRESSURE: 4573000 442.165 -107.541 41.1281 -107.541 240.151 28.4297 41.127 28.4288 -210.33 GPRESSURE: 4573000 457.835 -114.828 28.1448 -41.2814 262.021 -49.0814 24.543 67.3624 -156.027 PRESSAVG: 4573000 56.3456 15.9431 -19.4902 15.9431 -16.8203 6.54962 -19.4903 6.54969 -5.703 GPRESSAVG: 4573000 57.4662 15.3788 -20.2265 15.3533 -17.0258 7.11435 -19.2134 5.69604 -7.09437 TIMING: 4573000 CPU: 13745.3, 0.00305868/step Wall: 13745.3, 0.00305868/step, 0.362794 hours remaining, 208.667969 MB of memory in use. ENERGY: 4573000 743.8480 2143.1640 1968.9006 112.7446 -206735.1251 18017.1548 0.0000 0.0000 34159.0884 -149590.2248 298.3198 -183749.3132 -149501.0304 297.6709 157.3283 187.9431 556855.6592 11.2741 11.1153 PRESSURE: 4573200 32.769 22.6562 -74.6786 22.6565 -143.676 151.603 -74.679 151.603 -17.9491 GPRESSURE: 4573200 5.39937 2.58042 -52.6334 32.7482 -76.7613 153.593 -81.0609 101.144 37.7185 PRESSAVG: 4573200 -13.5502 30.42 -6.56803 30.42 -30.0305 6.15082 -6.568 6.1508 78.4518 GPRESSAVG: 4573200 -13.9548 31.4632 -5.50287 30.6139 -28.348 7.31898 -7.95331 5.44092 77.1014 TIMING: 4573200 CPU: 13745.9, 0.00307667/step Wall: 13745.9, 0.00307667/step, 0.364756 hours remaining, 208.667969 MB of memory in use. ENERGY: 4573200 735.8270 2118.8363 1943.9973 102.4825 -206334.5938 17748.9398 0.0000 0.0000 34270.4724 -149414.0385 299.2926 -183684.5109 -149318.3200 298.6265 -42.9520 -11.2144 557708.9655 11.6237 11.5995 PRESSURE: 4573400 -208.997 96.5579 112.233 96.5582 34.8079 -105.337 112.233 -105.336 215.93 GPRESSURE: 4573400 -138.333 17.8943 136.913 188.037 48.7017 -122.782 32.7005 -104.802 216.628 PRESSAVG: 4573400 46.0995 6.06219 -21.6628 6.06204 14.0703 -52.866 -21.6628 -52.866 -28.227 GPRESSAVG: 4573400 46.3547 3.59372 -24.0117 7.24636 14.5087 -52.2961 -20.8604 -53.1125 -28.8668 TIMING: 4573400 CPU: 13746.5, 0.00305474/step Wall: 13746.5, 0.00305474/step, 0.361986 hours remaining, 208.667969 MB of memory in use. ENERGY: 4573400 721.6665 2037.5577 1945.4261 122.3594 -205893.4317 17622.3454 0.0000 0.0000 34059.2009 -149384.8757 297.4475 -183444.0766 -149286.3231 299.0853 13.9138 42.3321 557236.1285 10.6476 10.6655 PRESSURE: 4573600 -176.799 -24.189 63.4916 -24.1889 -184.895 -235.371 63.4912 -235.37 -80.3167 GPRESSURE: 4573600 -148.676 67.8937 13.3104 -8.57924 -139.677 -265.34 76.0446 -194.151 -50.5305 PRESSAVG: 4573600 -34.4327 65.6295 -30.1708 65.6294 30.144 -33.5203 -30.1708 -33.5202 26.0677 GPRESSAVG: 4573600 -35.1634 66.0638 -29.4598 64.942 29.4292 -35.0335 -30.1289 -31.838 27.4395 TIMING: 4573600 CPU: 13747.2, 0.00328178/step Wall: 13747.2, 0.00328178/step, 0.388709 hours remaining, 208.667969 MB of memory in use. ENERGY: 4573600 739.7748 2088.9791 1949.6533 114.0019 -206110.0867 17525.6695 0.0000 0.0000 34277.3632 -149414.6449 299.3527 -183692.0081 -149321.6489 298.3519 -147.3372 -112.9613 556813.4744 7.2597 7.2351 PRESSURE: 4573800 -137.369 1.95628 -21.0715 1.95564 -237.525 -134.897 -21.0727 -134.898 -28.4121 GPRESSURE: 4573800 -81.9169 -20.7306 5.29098 7.53556 -191.253 -136.264 44.8377 -68.1416 -38.9098 PRESSAVG: 4573800 31.2406 -10.1607 61.1404 -10.1607 -7.56993 1.45114 61.1404 1.45099 -24.0818 GPRESSAVG: 4573800 31.3558 -10.8938 61.7854 -9.34462 -6.75171 1.2746 60.9709 0.0601007 -24.4012 TIMING: 4573800 CPU: 13747.8, 0.00304781/step Wall: 13747.8, 0.00304781/step, 0.360827 hours remaining, 208.667969 MB of memory in use. ENERGY: 4573800 753.3552 2027.9516 1952.4377 122.7447 -206218.8169 17726.8333 0.0000 0.0000 34237.2343 -149398.2601 299.0023 -183635.4943 -149298.2120 298.1239 -134.4354 -104.0267 559054.9793 -0.1370 0.0676 PRESSURE: 4574000 125.682 -0.900516 -53.4102 -0.899479 151.994 -53.9925 -53.41 -53.9944 157.798 GPRESSURE: 4574000 241.837 -31.7059 -196.514 -45.7165 126.231 -27.983 19.7974 -86.9998 172.484 PRESSAVG: 4574000 40.0831 12.7516 48.8407 12.7515 -29.7403 19.4606 48.8407 19.4606 -13.4988 GPRESSAVG: 4574000 40.406 14.8944 48.8799 12.1205 -30.6617 19.9916 47.4835 22.0243 -12.6301 TIMING: 4574000 CPU: 13748.4, 0.00306616/step Wall: 13748.4, 0.00306616/step, 0.362829 hours remaining, 208.667969 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: 4574000 706.5612 2102.4288 1956.6319 126.1185 -206498.6627 18000.8362 0.0000 0.0000 34212.7197 -149393.3662 298.7882 -183606.0860 -149293.1333 298.7128 145.1581 180.1842 556116.1585 -1.0520 -0.9619 PRESSURE: 4574200 -94.3524 158.511 112.241 158.511 -58.9049 51.5517 112.241 51.5497 116.281 GPRESSURE: 4574200 -120.563 200.87 136.64 170.469 0.50113 29.534 103.134 72.6864 176.032 PRESSAVG: 4574200 74.8758 -39.9805 23.8617 -39.9804 -17.0168 -6.31866 23.8617 -6.31862 -32.3184 GPRESSAVG: 4574200 74.1351 -38.3398 24.0723 -41.2358 -15.4252 -6.89125 25.345 -7.2615 -32.6641 TIMING: 4574200 CPU: 13749, 0.00309591/step Wall: 13749, 0.00309591/step, 0.366178 hours remaining, 208.789062 MB of memory in use. ENERGY: 4574200 751.8127 2048.0329 1944.1034 114.1198 -206094.8964 17633.8608 0.0000 0.0000 34280.0495 -149322.9174 299.3762 -183602.9668 -149230.4145 298.9793 -12.3254 18.6565 557233.3619 8.5135 8.6819 PRESSURE: 4574400 107.481 -127.468 14.3306 -127.467 125.365 -155.005 14.3307 -155.004 235.244 GPRESSURE: 4574400 157.893 -88.8539 5.79903 -155.727 154.459 -111.933 62.0093 -114.93 243.212 PRESSAVG: 4574400 -9.73272 -2.36616 -6.02941 -2.36613 -2.9908 41.5527 -6.0294 41.5527 -1.61317 GPRESSAVG: 4574400 -8.41981 -5.4274 -4.48699 -0.334848 -4.20695 42.6062 -7.2228 39.8973 -2.30036 TIMING: 4574400 CPU: 13749.7, 0.0030518/step Wall: 13749.7, 0.0030518/step, 0.36079 hours remaining, 208.789062 MB of memory in use. ENERGY: 4574400 740.7676 2097.9623 1941.0286 120.7137 -206394.9364 18020.6920 0.0000 0.0000 34215.2905 -149258.4817 298.8106 -183473.7722 -149162.6496 299.0368 156.0299 185.1879 557003.1943 -4.7789 -4.9757 PRESSURE: 4574600 -100.068 -125.892 -27.5675 -125.892 -273.886 104.892 -27.5662 104.893 -33.2883 GPRESSURE: 4574600 -53.8642 -21.189 -18.1011 -202.456 -229.325 52.0187 -26.4995 216.011 -26.6628 PRESSAVG: 4574600 62.5812 -24.5275 13.072 -24.5276 33.077 13.0387 13.072 13.0387 -61.7714 GPRESSAVG: 4574600 60.9576 -23.1682 10.1396 -26.9309 33.5805 12.9304 14.9568 14.2328 -60.8687 TIMING: 4574600 CPU: 13750.3, 0.00305831/step Wall: 13750.3, 0.00305831/step, 0.36139 hours remaining, 208.789062 MB of memory in use. ENERGY: 4574600 732.0894 2123.6824 1933.4797 107.1369 -205674.0421 17601.4096 0.0000 0.0000 34018.4495 -149157.7945 297.0916 -183176.2440 -149062.5136 299.2825 -135.7475 -103.2839 558944.2536 11.2956 11.2231 PRESSURE: 4574800 -225.69 82.8224 -132.007 82.8207 32.3357 43.5047 -132.007 43.5042 -375.37 GPRESSURE: 4574800 -241.85 106.017 -37.0972 28.957 52.4258 9.64481 -92.5116 31.3719 -283.959 PRESSAVG: 4574800 25.4021 -26.6683 5.05594 -26.6683 24.2854 -40.7457 5.05599 -40.7457 -20.4414 GPRESSAVG: 4574800 26.5682 -27.0761 6.0541 -25.8823 23.3438 -40.1858 4.49558 -40.2076 -20.2422 TIMING: 4574800 CPU: 13750.9, 0.00305336/step Wall: 13750.9, 0.00305336/step, 0.360636 hours remaining, 208.789062 MB of memory in use. ENERGY: 4574800 768.0507 2157.1280 1951.9197 120.0064 -205730.9718 17481.3447 0.0000 0.0000 34297.1132 -148955.4091 299.5252 -183252.5223 -148866.6277 299.9759 -189.5749 -157.7942 558148.3944 9.7487 9.8899 PRESSURE: 4575000 51.7328 -98.3472 69.656 -98.3475 116.781 131.349 69.6575 131.348 -102.386 GPRESSURE: 4575000 93.569 -115.873 126.988 1.39764 126.066 56.6667 73.2161 128.931 -70.2031 PRESSAVG: 4575000 44.9569 -34.2807 15.9836 -34.2807 48.9304 9.63621 15.9835 9.63632 -82.992 GPRESSAVG: 4575000 44.139 -34.8064 15.2549 -32.2679 49.7774 10.8703 15.745 4.40999 -83.2414 TIMING: 4575000 CPU: 13751.5, 0.00306021/step Wall: 13751.5, 0.00306021/step, 0.361274 hours remaining, 208.789062 MB of memory in use. ENERGY: 4575000 751.7582 2120.8200 1948.1839 121.3028 -206156.9352 17823.5994 0.0000 0.0000 34212.6576 -149178.6134 298.7876 -183391.2709 -149093.9128 299.5898 22.0427 49.8107 558037.8170 3.6318 3.5583 PRESSURE: 4575200 227.947 29.2833 -33.5292 29.2843 181.294 30.9239 -33.5285 30.9245 -54.004 GPRESSURE: 4575200 209.745 30.6147 -26.3607 24.3469 249.715 55.8337 -25.7177 17.7844 0.0726116 PRESSAVG: 4575200 -13.7772 -17.1414 28.4251 -17.1414 25.0032 -0.852193 28.4251 -0.852114 -38.1013 GPRESSAVG: 4575200 -13.6832 -17.9127 31.228 -19.2763 24.7164 -3.55225 25.968 3.5038 -38.0461 TIMING: 4575200 CPU: 13752.1, 0.00305115/step Wall: 13752.1, 0.00305115/step, 0.360036 hours remaining, 208.789062 MB of memory in use. ENERGY: 4575200 739.6566 2114.2086 1921.1403 112.4492 -206068.6940 17945.7778 0.0000 0.0000 34203.3392 -149032.1223 298.7063 -183235.4615 -148936.1646 299.0834 118.4121 153.1774 557691.9705 -8.9585 -9.0043 PRESSURE: 4575400 -42.1359 -12.7518 83.302 -12.7512 6.64311 26.8117 83.3012 26.8122 137.308 GPRESSURE: 4575400 -90.9454 15.8818 -5.32028 -2.03565 54.4198 29.6733 104.908 -15.9002 240.116 PRESSAVG: 4575400 -6.24094 9.78997 20.0934 9.7899 64.5488 63.1058 20.0935 63.1057 7.45692 GPRESSAVG: 4575400 -6.26772 10.6864 18.0538 10.9507 65.1441 62.989 22.098 62.8467 6.52234 TIMING: 4575400 CPU: 13752.7, 0.00304056/step Wall: 13752.7, 0.00304056/step, 0.358617 hours remaining, 208.789062 MB of memory in use. ENERGY: 4575400 714.4299 2074.7285 1960.8490 111.6744 -205683.6596 17686.3575 0.0000 0.0000 34139.5455 -148996.0749 298.1491 -183135.6203 -148895.2965 299.5934 33.9383 67.8635 558199.1384 21.9216 21.7996 PRESSURE: 4575600 -145.135 33.0138 168.362 33.0153 -43.9627 107.344 168.362 107.341 92.3548 GPRESSURE: 4575600 -80.3805 -37.2326 118.724 26.9178 -46.5261 149.968 172.008 54.7237 126.654 PRESSAVG: 4575600 -52.5511 31.2589 -40.6758 31.2589 -18.8031 27.7167 -40.6758 27.7167 32.6251 GPRESSAVG: 4575600 -51.5325 31.9994 -41.1796 29.3288 -20.38 29.6072 -40.574 26.4567 32.6106 TIMING: 4575600 CPU: 13753.3, 0.00305004/step Wall: 13753.3, 0.00305004/step, 0.359566 hours remaining, 208.789062 MB of memory in use. ENERGY: 4575600 747.2467 2078.5767 1956.1426 111.5559 -205887.5921 17586.4479 0.0000 0.0000 34434.4772 -148973.1450 300.7249 -183407.6222 -148876.9212 299.3625 -32.2475 -0.0841 557377.3984 -12.9097 -13.1007 PRESSURE: 4575800 -6.78562 73.3603 -65.4911 73.3596 -70.4955 173.234 -65.4915 173.234 11.4645 GPRESSURE: 4575800 26.8859 59.3094 -163.333 32.409 3.4617 149.896 53.085 234.969 7.35611 PRESSAVG: 4575800 30.6716 -25.0744 -33.9037 -25.0743 4.90009 59.098 -33.9036 59.098 -3.50749 GPRESSAVG: 4575800 29.9334 -25.2074 -34.2437 -26.3983 5.07459 57.5246 -34.5835 61.1665 -2.64468 TIMING: 4575800 CPU: 13753.9, 0.00304401/step Wall: 13753.9, 0.00304401/step, 0.358686 hours remaining, 208.789062 MB of memory in use. ENERGY: 4575800 709.7869 2127.2974 1945.6693 111.5407 -205829.6663 17682.6354 0.0000 0.0000 34308.9878 -148943.7488 299.6289 -183252.7365 -148841.4561 299.6459 -21.9389 12.5679 557854.3971 10.6881 10.7878 PRESSURE: 4576000 80.061 -54.6058 -39.6741 -54.6055 3.38564 155.095 -39.6742 155.097 231.734 GPRESSURE: 4576000 146.829 -159.009 -76.8495 9.41835 -2.70112 150.197 -34.0409 155.281 286.899 PRESSAVG: 4576000 41.8846 -6.40185 -41.2171 -6.4018 22.3019 26.1889 -41.2172 26.189 -86.5519 GPRESSAVG: 4576000 43.0018 -7.41383 -42.0747 -6.0011 22.6311 25.6475 -40.5983 26.5368 -87.5323 TIMING: 4576000 CPU: 13754.5, 0.00306831/step Wall: 13754.5, 0.00306831/step, 0.361378 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: 4576000 744.6710 2123.6244 1944.1185 120.3616 -206117.2527 17969.5646 0.0000 0.0000 34230.1600 -148984.7525 298.9405 -183214.9126 -148889.1741 299.5795 105.0604 143.6759 557959.3191 -7.4551 -7.2998 PRESSURE: 4576200 89.0434 -53.4444 79.907 -53.4437 -335.454 -180.139 79.908 -180.139 -229.461 GPRESSURE: 4576200 89.4655 -128.826 159.977 -28.7 -326.855 -159.894 68.8971 -133.214 -134.356 PRESSAVG: 4576200 3.48743 59.2405 5.90671 59.2406 44.7464 4.34522 5.90671 4.34513 -74.6709 GPRESSAVG: 4576200 4.62058 59.6064 6.44023 59.5517 44.146 7.34677 6.16525 2.01606 -74.8361 TIMING: 4576200 CPU: 13755.1, 0.0030405/step Wall: 13755.1, 0.0030405/step, 0.357935 hours remaining, 208.789062 MB of memory in use. ENERGY: 4576200 748.4389 2097.0205 1922.8143 115.8118 -205822.3675 17660.5066 0.0000 0.0000 34357.1481 -148920.6272 300.0495 -183277.7754 -148829.0603 299.8684 -158.6239 -123.9150 558858.4923 -8.8124 -8.6899 LDB: ============= START OF LOAD BALANCING ============== 13758.6 LDB: ============== END OF LOAD BALANCING =============== 13758.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13758.6 LDB: ============= START OF LOAD BALANCING ============== 13758.9 LDB: Largest compute 4820 load 0.027553 is 23.3% of average load 0.118134 LDB: Average compute 0.001745 is 1.5% of average load 0.118134 LDB: TIME 13758.9 LOAD: AVG 0.118134 MAX 0.218416 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.129 MB LDB: TIME 13758.9 LOAD: AVG 0.118134 MAX 0.218416 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: TIME 13758.9 LOAD: AVG 0.118134 MAX 0.218416 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13758.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13758.9 PRESSURE: 4576400 111.993 13.633 -18.5161 13.6325 -67.9984 -73.5465 -18.5179 -73.5482 -178.557 GPRESSURE: 4576400 81.4122 19.8996 4.08061 -58.6719 -29.1758 -36.0175 -24.9013 -14.9533 -99.4925 PRESSAVG: 4576400 48.9001 10.0813 6.29423 10.0812 4.64972 -9.57416 6.29423 -9.57405 -63.6379 GPRESSAVG: 4576400 47.423 10.9086 7.14628 8.11787 5.70924 -11.6222 5.30363 -6.27952 -63.6951 TIMING: 4576400 CPU: 13755.8, 0.00312263/step Wall: 13755.8, 0.00312263/step, 0.367429 hours remaining, 207.539062 MB of memory in use. ENERGY: 4576400 749.0493 2100.1569 1949.4630 118.0456 -205816.7906 17821.0014 0.0000 0.0000 34299.7186 -148779.3559 299.5480 -183079.0745 -148679.8654 300.0402 -44.8539 -15.7521 558660.5118 -3.3627 -3.5210 PRESSURE: 4576600 230.334 126.68 -12.7355 126.68 66.8162 181.558 -12.7361 181.559 73.3032 GPRESSURE: 4576600 270.096 163.471 -14.459 144.875 95.5802 160.888 12.1277 189.127 104.348 PRESSAVG: 4576600 91.4502 28.7566 -27.4596 28.7567 -41.8095 37.2054 -27.4597 37.2055 -9.75933 GPRESSAVG: 4576600 91.3388 29.1072 -26.7164 31.2005 -43.2227 35.5358 -27.757 36.9851 -8.41064 TIMING: 4576600 CPU: 13756.4, 0.00303827/step Wall: 13756.4, 0.00303827/step, 0.357335 hours remaining, 207.781250 MB of memory in use. ENERGY: 4576600 757.1224 2069.6883 1928.5156 112.8235 -206239.6834 18051.3134 0.0000 0.0000 34434.2378 -148885.9825 300.7228 -183320.2203 -148790.3371 300.6254 123.4843 156.6746 558588.6534 13.2938 13.2352 PRESSURE: 4576800 -271.747 -36.1552 -45.0645 -36.1558 -228.594 162.243 -45.0656 162.243 -269.72 GPRESSURE: 4576800 -210.749 -23.8302 -14.6294 -16.7935 -197.045 234.747 -53.5646 113.323 -256.215 PRESSAVG: 4576800 -10.9972 34.048 -47.6736 34.0478 2.63756 45.1295 -47.6735 45.1296 47.426 GPRESSAVG: 4576800 -11.2609 33.7635 -48.2207 34.969 3.86396 46.3895 -47.4357 44.6078 46.2223 TIMING: 4576800 CPU: 13757, 0.00305224/step Wall: 13757, 0.00305224/step, 0.358808 hours remaining, 207.781250 MB of memory in use. ENERGY: 4576800 773.7187 2154.2046 1932.9609 130.1879 -205937.2253 17545.1654 0.0000 0.0000 34590.9686 -148810.0192 302.0915 -183400.9878 -148711.8133 299.9259 -256.6869 -221.3362 558977.0725 13.0221 12.9418 PRESSURE: 4577000 -261.082 50.4 -9.43059 50.4003 88.9955 17.9885 -9.43049 17.9873 -29.1171 GPRESSURE: 4577000 -197.285 133.316 -47.7631 28.2107 93.1437 40.4092 -34.0227 -18.0419 1.81157 PRESSAVG: 4577000 -2.21512 -15.3036 -4.63737 -15.3036 -0.0825966 -17.9798 -4.63739 -17.9799 -22.4525 GPRESSAVG: 4577000 -1.85434 -16.1221 -5.29445 -14.8405 -1.38931 -16.9625 -3.7337 -19.3707 -21.139 TIMING: 4577000 CPU: 13757.6, 0.00305063/step Wall: 13757.6, 0.00305063/step, 0.358449 hours remaining, 207.781250 MB of memory in use. ENERGY: 4577000 730.7487 2106.7760 1929.3828 118.3707 -205763.1758 17803.5804 0.0000 0.0000 34217.8456 -148856.4717 298.8330 -183074.3173 -148763.9096 300.2239 -67.0677 -34.1100 558986.5476 -8.2501 -8.1276 PRESSURE: 4577200 -90.3895 -39.4653 -130.551 -39.466 -283.311 -23.3048 -130.553 -23.3051 -61.2267 GPRESSURE: 4577200 -2.46827 -18.3624 -171.312 -30.4413 -288.095 44.3138 -144.093 -28.6456 -48.2121 PRESSAVG: 4577200 5.73476 42.5566 15.2301 42.5567 15.0169 2.8575 15.2301 2.85741 -11.5319 GPRESSAVG: 4577200 5.23274 44.5641 14.6352 40.4372 16.1658 3.76616 14.8188 3.20958 -12.3287 TIMING: 4577200 CPU: 13758.2, 0.0030672/step Wall: 13758.2, 0.0030672/step, 0.360226 hours remaining, 207.781250 MB of memory in use. ENERGY: 4577200 761.8563 2081.4034 1934.7537 129.6448 -205748.1244 17556.9229 0.0000 0.0000 34297.3172 -148986.2261 299.5270 -183283.5432 -148880.5082 299.8424 -144.9758 -112.9252 558257.3617 3.0733 3.0233 PRESSURE: 4577400 65.6737 70.8375 12.5501 70.837 146.159 -7.47744 12.5515 -7.47716 -184.065 GPRESSURE: 4577400 62.6365 55.1787 25.5002 9.22112 228.023 39.569 1.71872 66.3694 -156.055 PRESSAVG: 4577400 25.8961 19.3148 -6.78284 19.3148 21.0064 22.371 -6.78286 22.371 -21.6653 GPRESSAVG: 4577400 26.1564 18.105 -4.85094 18.3195 19.983 18.4663 -6.95262 25.181 -20.9215 TIMING: 4577400 CPU: 13758.8, 0.00307286/step Wall: 13758.8, 0.00307286/step, 0.360719 hours remaining, 207.781250 MB of memory in use. ENERGY: 4577400 769.3431 2091.9442 1937.3525 110.9903 -205985.0950 17911.5095 0.0000 0.0000 34235.9751 -148927.9803 298.9913 -183163.9554 -148834.7260 299.3800 9.2558 44.8682 557192.3595 8.4124 8.4060 PRESSURE: 4577600 -113.215 59.2045 206.933 59.2046 -88.2905 83.1781 206.932 83.1779 -20.1289 GPRESSURE: 4577600 -67.0019 21.8898 260.963 118.988 -77.0378 152.509 166.032 -62.6819 16.6582 PRESSAVG: 4577600 -28.5798 55.9619 20.0639 55.9619 33.9559 -6.62475 20.0639 -6.62489 -14.6921 GPRESSAVG: 4577600 -28.5613 55.7874 18.9036 57.8065 35.3754 -4.25435 20.42 -9.59504 -15.8753 TIMING: 4577600 CPU: 13759.4, 0.00304078/step Wall: 13759.4, 0.00304078/step, 0.356785 hours remaining, 207.781250 MB of memory in use. ENERGY: 4577600 778.8640 2133.5777 1929.3941 105.2770 -206023.2998 17718.5074 0.0000 0.0000 34303.3017 -149054.3779 299.5793 -183357.6796 -148963.3859 300.0649 -73.8780 -42.4605 558324.5746 -3.1053 -3.0204 PRESSURE: 4577800 -99.6544 -85.3805 -20.5413 -85.3796 -15.5269 179.445 -20.5418 179.445 -169.158 GPRESSURE: 4577800 -67.5058 5.63952 -73.4321 -219.343 -0.180073 188.244 48.9977 160.435 -108.782 PRESSAVG: 4577800 29.0711 100.387 11.7795 100.387 -39.9128 52.8639 11.7795 52.8637 34.3133 GPRESSAVG: 4577800 28.0989 102.595 11.6644 96.68 -40.9199 51.9649 12.3321 54.7763 35.6084 TIMING: 4577800 CPU: 13760, 0.00305242/step Wall: 13760, 0.00305242/step, 0.357981 hours remaining, 207.902344 MB of memory in use. ENERGY: 4577800 749.0724 2117.3320 1956.3008 99.8617 -206290.2485 17799.3175 0.0000 0.0000 34246.3517 -149322.0125 299.0819 -183568.3642 -149224.6668 299.1236 -94.7798 -58.8226 558694.1013 7.8239 7.5958 PRESSURE: 4578000 49.9778 73.8582 19.1029 73.8569 -26.8609 -98.4831 19.103 -98.4845 1.02219 GPRESSURE: 4578000 65.3301 74.5523 8.19431 74.0725 49.8422 -84.7332 -37.4374 -128.13 -2.94946 PRESSAVG: 4578000 14.0475 20.2026 34.0292 20.2028 12.2075 27.8512 34.0292 27.8511 -20.3455 GPRESSAVG: 4578000 14.264 17.2794 34.9335 23.3362 12.889 30.3277 31.9187 25.8195 -21.7435 TIMING: 4578000 CPU: 13760.7, 0.00305726/step Wall: 13760.7, 0.00305726/step, 0.358379 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: 4578000 734.0839 2052.3620 1933.6708 100.2346 -206457.7080 18044.5852 0.0000 0.0000 34100.6403 -149492.1312 297.8094 -183592.7715 -149393.3293 298.6422 8.0464 37.4076 559718.6282 1.9698 1.8032 PRESSURE: 4578200 -11.4194 -124.37 146.18 -124.369 -99.7458 91.8783 146.18 91.8764 -24.8239 GPRESSURE: 4578200 -16.4527 -50.7208 196.347 -202.201 8.21565 79.3826 179.936 128.691 -33.1576 PRESSAVG: 4578200 52.8174 -14.1301 22.1576 -14.1302 -33.3849 -17.9795 22.1575 -17.9795 -37.4434 GPRESSAVG: 4578200 54.0441 -11.9097 21.0122 -15.1713 -34.0828 -20.2465 23.4023 -17.7384 -37.3696 TIMING: 4578200 CPU: 13761.3, 0.00305132/step Wall: 13761.3, 0.00305132/step, 0.357514 hours remaining, 207.902344 MB of memory in use. ENERGY: 4578200 783.8847 2076.5548 1942.7298 113.7153 -206451.4852 17937.1033 0.0000 0.0000 34136.4909 -149461.0063 298.1225 -183597.4972 -149364.6884 298.2478 -45.3297 -13.7982 559270.0637 -6.0036 -5.8028 PRESSURE: 4578400 93.9089 159.043 68.1966 159.043 -24.074 7.99467 68.1969 7.99406 -191.256 GPRESSURE: 4578400 129.085 124.036 128.732 48.7602 38.0928 -37.8133 7.73106 97.5411 -208.599 PRESSAVG: 4578400 -15.1334 -28.0684 48.9093 -28.0684 3.22907 9.55919 48.9093 9.5591 -23.6221 GPRESSAVG: 4578400 -15.6645 -29.9015 49.2386 -27.4411 2.37877 10.115 49.0306 11.7615 -22.5991 TIMING: 4578400 CPU: 13761.9, 0.00304783/step Wall: 13761.9, 0.00304783/step, 0.356935 hours remaining, 207.902344 MB of memory in use. ENERGY: 4578400 769.3793 2085.1948 1970.2149 125.9632 -206296.6278 17885.7071 0.0000 0.0000 34019.4392 -149440.7293 297.1002 -183460.1686 -149348.3695 298.6062 -40.4738 -13.8070 558804.1098 -11.8421 -11.9616 PRESSURE: 4578600 98.6178 39.217 97.8877 39.2181 -5.286 -65.3506 97.8873 -65.3497 -34.528 GPRESSURE: 4578600 117.018 -0.634378 235.628 19.6158 0.981367 -129.613 57.2038 -44.1718 50.332 PRESSAVG: 4578600 45.0343 6.84245 -3.3072 6.8425 -37.2455 -10.6197 -3.30717 -10.6198 -20.3349 GPRESSAVG: 4578600 45.4869 6.30868 -3.99325 7.44631 -36.1459 -11.0494 -3.51169 -11.7554 -21.6858 TIMING: 4578600 CPU: 13762.5, 0.00302383/step Wall: 13762.5, 0.00302383/step, 0.353956 hours remaining, 207.902344 MB of memory in use. ENERGY: 4578600 738.5220 2101.8367 1929.7241 116.4696 -206354.7387 18014.3849 0.0000 0.0000 34233.3668 -149220.4345 298.9685 -183453.8012 -149121.4303 299.0761 19.6012 56.1104 558909.6986 -4.1821 -4.1150 PRESSURE: 4578800 170.966 -57.465 37.623 -57.4657 -142.553 -26.0135 37.6225 -26.0146 84.2296 GPRESSURE: 4578800 158.361 21.946 30.3552 -107.924 -40.2669 -12.2591 106.393 -54.6442 98.0246 PRESSAVG: 4578800 -2.88575 -4.13769 0.0642865 -4.13782 -41.7123 -65.7205 0.0643073 -65.7206 47.0079 GPRESSAVG: 4578800 -1.57786 -3.10829 -0.521105 -5.14284 -42.1992 -65.6397 0.93586 -65.0447 46.5523 TIMING: 4578800 CPU: 13763.1, 0.00304352/step Wall: 13763.1, 0.00304352/step, 0.356092 hours remaining, 207.902344 MB of memory in use. ENERGY: 4578800 738.6925 2098.9080 1914.0685 120.2208 -206513.9820 17903.8844 0.0000 0.0000 34112.4608 -149625.7470 297.9126 -183738.2078 -149520.3818 298.8904 37.5477 72.0395 557540.8567 0.8033 0.9251 PRESSURE: 4579000 61.9848 20.1669 25.2499 20.1666 86.5629 -121.89 25.2487 -121.89 -49.3668 GPRESSURE: 4579000 136.486 -17.3783 -26.2067 14.5148 95.3788 -218.138 14.2316 -104.701 -35.6436 PRESSAVG: 4579000 38.9491 -57.5012 -3.8243 -57.5012 32.3384 -73.3737 -3.82436 -73.3737 -40.6587 GPRESSAVG: 4579000 37.8169 -56.3926 -1.92912 -57.1631 31.8697 -75.8515 -4.03596 -73.0418 -39.0739 TIMING: 4579000 CPU: 13763.7, 0.00306212/step Wall: 13763.7, 0.00306212/step, 0.358098 hours remaining, 207.902344 MB of memory in use. ENERGY: 4579000 715.5940 2094.9053 1936.1151 117.7528 -206395.7429 17745.8765 0.0000 0.0000 34247.6080 -149537.8913 299.0929 -183785.4992 -149442.0247 297.5688 33.0603 65.4070 556484.8198 10.2096 10.2042 PRESSURE: 4579200 -336.617 44.6704 -85.6801 44.672 -248.835 170.173 -85.6802 170.174 -96.9904 GPRESSURE: 4579200 -311.664 23.2562 -146.59 106.557 -207.462 82.898 -83.2574 205.572 -66.6187 PRESSAVG: 4579200 -10.6183 -38.4254 -89.3434 -38.4253 -6.09939 17.5228 -89.3434 17.5229 35.1231 GPRESSAVG: 4579200 -10.2774 -37.7686 -89.1136 -38.7832 -5.62876 21.2074 -89.879 15.3295 34.5781 TIMING: 4579200 CPU: 13764.3, 0.00304613/step Wall: 13764.3, 0.00304613/step, 0.356058 hours remaining, 207.902344 MB of memory in use. ENERGY: 4579200 733.2514 2084.4530 1939.8187 114.4483 -205610.7062 17377.2186 0.0000 0.0000 33850.2631 -149511.2530 295.6228 -183361.5162 -149412.1607 298.0427 -227.4810 -195.2483 558319.3148 6.1352 6.2240 PRESSURE: 4579400 245.609 41.8202 -32.6218 41.8201 81.9492 113.995 -32.6216 113.996 73.957 GPRESSURE: 4579400 232.212 -4.10065 9.23088 142.1 121.828 134.754 -11.9173 17.0662 144.356 PRESSAVG: 4579400 12.4519 -55.1463 -64.1275 -55.1462 -32.2394 -18.753 -64.1275 -18.753 16.5866 GPRESSAVG: 4579400 12.8167 -57.8789 -64.8129 -53.0923 -31.9452 -19.5692 -62.6114 -16.8545 16.2151 TIMING: 4579400 CPU: 13764.9, 0.00310391/step Wall: 13764.9, 0.00310391/step, 0.36264 hours remaining, 207.902344 MB of memory in use. ENERGY: 4579400 749.5938 2045.3935 1952.4593 126.1873 -206535.1772 17945.1773 0.0000 0.0000 34386.9841 -149329.3821 300.3101 -183716.3661 -149231.9730 298.8755 133.8385 166.1320 556044.2140 -1.0669 -0.9711 PRESSURE: 4579600 -159.32 28.9063 -7.39441 28.9059 -231.852 209.776 -7.39427 209.776 -216.707 GPRESSURE: 4579600 -114.683 -98.0443 28.1997 157.27 -246.334 234.86 -99.744 201.781 -136.636 PRESSAVG: 4579600 11.3342 -19.6277 10.9623 -19.6276 -14.358 72.9336 10.9623 72.9336 -18.4927 GPRESSAVG: 4579600 10.5671 -18.1493 10.7279 -22.2369 -14.7445 73.0018 9.37192 72.5639 -17.4039 TIMING: 4579600 CPU: 13765.5, 0.00308606/step Wall: 13765.5, 0.00308606/step, 0.360383 hours remaining, 207.902344 MB of memory in use. ENERGY: 4579600 757.7379 2099.2167 1929.5802 114.7580 -206204.7816 17724.6660 0.0000 0.0000 34384.6472 -149194.1757 300.2897 -183578.8229 -149094.0780 298.8016 -202.6265 -165.8842 557863.2282 -7.1722 -7.1938 PRESSURE: 4579800 -291.21 82.5266 -211.827 82.527 121.39 151.319 -211.826 151.319 -74.8802 GPRESSURE: 4579800 -308.172 18.8128 -160.207 94.6136 201.834 166.496 -171.547 167.737 -30.4763 PRESSAVG: 4579800 22.7575 8.2914 -23.4105 8.29136 53.4357 66.4237 -23.4105 66.4236 -16.3552 GPRESSAVG: 4579800 22.6999 7.99726 -23.9991 10.7295 54.189 67.3774 -22.8939 67.1352 -16.8921 TIMING: 4579800 CPU: 13766.2, 0.00306748/step Wall: 13766.2, 0.00306748/step, 0.358043 hours remaining, 207.902344 MB of memory in use. ENERGY: 4579800 756.8492 2100.9752 1938.7997 100.9491 -206122.6455 17888.4338 0.0000 0.0000 34256.4274 -149080.2109 299.1699 -183336.6383 -148979.4498 299.1567 -81.5670 -45.6047 559157.0132 19.9460 19.9989 PRESSURE: 4580000 -90.6595 132.99 159.236 132.99 85.5971 67.6394 159.235 67.6395 -81.8782 GPRESSURE: 4580000 -24.4421 115.73 -33.7824 59.8825 102.243 107.578 203.829 155.187 -69.2099 PRESSAVG: 4580000 32.9144 -23.3616 16.7944 -23.3615 -19.313 -12.7246 16.7944 -12.7246 -43.1398 GPRESSAVG: 4580000 32.2166 -23.4649 17.2632 -23.7329 -18.6378 -12.6074 17.3695 -12.2236 -43.133 TIMING: 4580000 CPU: 13766.8, 0.00305847/step Wall: 13766.8, 0.00305847/step, 0.356822 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: 4580000 762.0292 2095.4175 1953.9340 114.3023 -206418.2172 17800.2057 0.0000 0.0000 34582.9031 -149109.4254 302.0211 -183692.3285 -149014.9650 299.2196 -28.9802 2.8637 557735.1066 -9.8461 -9.8514 PRESSURE: 4580200 110.6 74.9641 -328.649 74.963 216.433 -171.121 -328.649 -171.121 -123.862 GPRESSURE: 4580200 169.33 40.1706 -317.887 129.313 249.248 -52.5181 -269.152 -271.75 -112.021 PRESSAVG: 4580200 9.08965 -35.2438 -71.2134 -35.2439 22.0897 -6.64118 -71.2134 -6.64132 -63.3104 GPRESSAVG: 4580200 9.91271 -35.6902 -71.3146 -35.989 21.8307 -7.86906 -71.674 -7.19442 -62.868 TIMING: 4580200 CPU: 13767.4, 0.00303222/step Wall: 13767.4, 0.00303222/step, 0.353591 hours remaining, 207.902344 MB of memory in use. ENERGY: 4580200 751.5073 2085.3526 1949.3764 123.8163 -205992.1311 17846.6942 0.0000 0.0000 34180.3427 -149055.0416 298.5054 -183235.3843 -148960.6298 299.3023 67.7236 102.1857 559781.3383 -10.7104 -10.3748 LDB: ============= START OF LOAD BALANCING ============== 13770.8 LDB: ============== END OF LOAD BALANCING =============== 13770.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13770.8 LDB: ============= START OF LOAD BALANCING ============== 13771.1 LDB: Largest compute 4820 load 0.026209 is 22.2% of average load 0.118085 LDB: Average compute 0.001746 is 1.5% of average load 0.118085 LDB: TIME 13771.1 LOAD: AVG 0.118085 MAX 0.214984 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.238 MB LDB: TIME 13771.1 LOAD: AVG 0.118085 MAX 0.214984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.238 MB LDB: TIME 13771.1 LOAD: AVG 0.118085 MAX 0.214984 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.238 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13771.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13771.1 PRESSURE: 4580400 -117.734 -141.401 -83.5302 -141.401 173.943 -129.849 -83.5309 -129.852 191.755 GPRESSURE: 4580400 -2.7595 -168.594 -72.9344 -134.34 218.368 -106.826 -53.3783 -87.5639 131.066 PRESSAVG: 4580400 -6.59023 -3.79624 -34.0685 -3.79625 34.9336 -18.88 -34.0685 -18.8801 9.61064 GPRESSAVG: 4580400 -5.2426 -3.95418 -33.5919 -4.10829 34.095 -20.1859 -32.668 -18.0249 9.20184 TIMING: 4580400 CPU: 13768, 0.00311194/step Wall: 13768, 0.00311193/step, 0.362713 hours remaining, 208.472656 MB of memory in use. ENERGY: 4580400 729.5019 2103.0361 1942.2611 107.4808 -206493.2544 18042.1060 0.0000 0.0000 34251.7098 -149317.1586 299.1287 -183568.8685 -149222.9115 299.2424 82.6545 115.5580 558569.8861 12.6513 12.6848 PRESSURE: 4580600 -89.8932 -24.5593 -15.9256 -24.5591 165.987 -49.1158 -15.9248 -49.1123 -139.248 GPRESSURE: 4580600 -60.6136 15.3765 -5.70808 101.294 213.119 -26.9118 7.71991 -86.3964 -124.715 PRESSAVG: 4580600 -35.612 -30.3387 2.728 -30.3387 48.4431 -25.5752 2.7278 -25.5752 4.01547 GPRESSAVG: 4580600 -36.3977 -28.262 3.81265 -30.5103 48.8254 -24.7331 1.97064 -25.8667 4.40146 TIMING: 4580600 CPU: 13768.6, 0.00305794/step Wall: 13768.6, 0.00305794/step, 0.35625 hours remaining, 208.472656 MB of memory in use. ENERGY: 4580600 791.0324 2142.5406 1954.8905 101.1733 -206517.6538 18012.3116 0.0000 0.0000 34196.2478 -149319.4576 298.6443 -183515.7055 -149225.2648 299.0189 -21.0513 9.2632 558088.5751 5.6155 5.6097 PRESSURE: 4580800 -314.271 5.32457 19.9428 5.3245 -11.3701 86.8848 19.9424 86.8845 -359.09 GPRESSURE: 4580800 -271.331 -43.692 36.049 -20.056 -6.37626 160.743 -42.102 63.1371 -306.544 PRESSAVG: 4580800 9.56856 23.0433 42.5463 23.0433 -9.1919 -22.4561 42.5464 -22.4561 -15.0301 GPRESSAVG: 4580800 9.99622 21.6709 38.1075 23.2263 -8.86972 -22.2781 44.3254 -23.4292 -15.7618 TIMING: 4580800 CPU: 13769.2, 0.00305883/step Wall: 13769.2, 0.00305883/step, 0.356184 hours remaining, 208.472656 MB of memory in use. ENERGY: 4580800 749.5907 2076.2115 1977.5137 110.2849 -205974.1995 17548.7811 0.0000 0.0000 34161.6447 -149350.1729 298.3421 -183511.8177 -149261.6877 299.1794 -228.2439 -194.7504 557472.0316 -4.8845 -4.8784 PRESSURE: 4581000 -119.437 -70.7194 114.282 -70.7205 33.8 -28.6065 114.283 -28.6055 -335.483 GPRESSURE: 4581000 -115.168 -20.0585 52.5416 -78.6794 87.3862 -83.418 136.706 51.0687 -292.183 PRESSAVG: 4581000 -13.4065 35.2482 2.61842 35.2482 81.9276 4.40043 2.61839 4.40044 -28.7828 GPRESSAVG: 4581000 -14.4287 35.1847 6.22609 37.0831 82.9648 5.35183 -1.82491 5.48587 -29.4691 TIMING: 4581000 CPU: 13769.8, 0.00302819/step Wall: 13769.8, 0.00302819/step, 0.352447 hours remaining, 208.472656 MB of memory in use. ENERGY: 4581000 780.6094 2116.5344 1942.7252 116.2061 -205929.4461 17597.5392 0.0000 0.0000 34068.8968 -149306.9350 297.5321 -183375.8318 -149207.0459 298.5426 -140.3732 -106.6549 557618.1275 13.2461 13.0223 PRESSURE: 4581200 -324.188 130.759 62.3747 130.759 33.6243 148.286 62.3759 148.288 -179.926 GPRESSURE: 4581200 -308.249 81.174 145.348 121.914 98.306 205.091 1.09015 75.3439 -158.456 PRESSAVG: 4581200 -11.91 -22.8964 61.2112 -22.8964 36.9598 8.7213 61.2112 8.72135 -26.8147 GPRESSAVG: 4581200 -11.1415 -21.3721 60.678 -24.549 36.4652 7.30762 62.0842 9.50024 -27.0716 TIMING: 4581200 CPU: 13770.4, 0.00305441/step Wall: 13770.4, 0.00305441/step, 0.35533 hours remaining, 208.472656 MB of memory in use. ENERGY: 4581200 761.4955 2114.5024 1945.4756 124.1513 -205946.5438 17690.5052 0.0000 0.0000 34170.6369 -149139.7770 298.4207 -183310.4138 -149040.1895 299.7476 -156.8297 -122.7998 557924.4556 -0.5883 -0.5826 PRESSURE: 4581400 -118.466 98.8596 -115.47 98.8598 -11.8634 -10.2957 -115.471 -10.296 -200.973 GPRESSURE: 4581400 -146.525 106.586 -115.676 17.3381 57.959 -80.2499 -172.268 -1.84963 -137.947 PRESSAVG: 4581400 -64.1973 -37.9428 -7.62362 -37.9429 54.9246 -1.10271 -7.62368 -1.10263 -11.9479 GPRESSAVG: 4581400 -65.4637 -38.4161 -8.1276 -38.1866 54.0358 0.413791 -4.55651 -2.58952 -9.63243 TIMING: 4581400 CPU: 13771.1, 0.00305512/step Wall: 13771.1, 0.00305512/step, 0.355243 hours remaining, 208.472656 MB of memory in use. ENERGY: 4581400 739.6704 2083.6434 1957.3476 113.7179 -206150.7351 17706.1862 0.0000 0.0000 34265.1323 -149285.0372 299.2459 -183550.1695 -149190.5106 298.9329 -110.4341 -75.5046 558446.5942 -7.0735 -7.0201 PRESSURE: 4581600 -202.876 -209.991 -101.84 -209.993 -210.123 24.7942 -101.84 24.7947 -101.935 GPRESSURE: 4581600 -131.497 -204.917 -191.209 -244.262 -215.421 -15.2708 -93.9284 51.3292 -74.7572 PRESSAVG: 4581600 -20.8049 32.4087 -43.1675 32.4087 16.7975 -44.5096 -43.1673 -44.5098 9.65482 GPRESSAVG: 4581600 -19.0452 32.4964 -41.5787 31.1168 16.6411 -44.7685 -44.8112 -43.6958 8.12577 TIMING: 4581600 CPU: 13771.7, 0.00305877/step Wall: 13771.7, 0.00305877/step, 0.355497 hours remaining, 208.500000 MB of memory in use. ENERGY: 4581600 763.1460 2134.6669 1940.6324 109.8661 -205900.0739 17452.8554 0.0000 0.0000 34230.4820 -149268.4250 298.9433 -183498.9070 -149166.3086 299.0537 -171.6447 -140.5586 556812.4485 1.8825 1.9072 PRESSURE: 4581800 -151.425 -44.7206 -90.5054 -44.7205 60.471 67.1436 -90.5064 67.1439 -598.002 GPRESSURE: 4581800 -171.797 -0.89041 -102.392 -107.439 63.6864 74.5586 -53.5087 62.6428 -496.638 PRESSAVG: 4581800 -26.4007 2.30902 -23.6643 2.309 69.8691 41.0306 -23.6642 41.0307 -23.7104 GPRESSAVG: 4581800 -27.9015 3.33513 -25.653 4.30367 71.0857 40.8273 -21.934 39.9214 -22.9388 TIMING: 4581800 CPU: 13772.3, 0.00304159/step Wall: 13772.3, 0.00304159/step, 0.353332 hours remaining, 208.500000 MB of memory in use. ENERGY: 4581800 783.1445 2111.5034 1909.9043 107.5426 -206130.8286 17615.6672 0.0000 0.0000 34255.3948 -149347.6717 299.1609 -183603.0665 -149257.9298 299.1662 -229.6520 -201.5830 556974.3383 6.5860 6.7484 PRESSURE: 4582000 -51.3376 -48.9974 -74.4662 -48.9973 -95.8956 -52.4681 -74.4662 -52.4681 -12.0065 GPRESSURE: 4582000 -18.4584 -94.731 -23.0897 -79.8229 -55.9695 -105.926 -29.6693 -36.2204 24.1758 PRESSAVG: 4582000 53.9297 16.0425 -1.85531 16.0423 33.7779 0.130643 -1.85529 0.130569 -89.163 GPRESSAVG: 4582000 54.7636 14.9325 0.632159 15.3786 32.9772 -2.3301 -4.32054 1.05853 -88.9724 TIMING: 4582000 CPU: 13772.9, 0.00308436/step Wall: 13772.9, 0.00308436/step, 0.358128 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: 4582000 724.4368 2138.0240 1925.9860 115.5480 -206578.3608 17921.9185 0.0000 0.0000 33991.0568 -149761.3907 296.8524 -183752.4475 -149666.9627 297.9819 -53.0799 -16.7507 557628.3126 -0.4851 -0.4105 PRESSURE: 4582200 -1.19132 -67.2725 103.818 -67.2738 -131.3 5.01847 103.817 5.01661 -98.7111 GPRESSURE: 4582200 60.134 -108.746 162.275 -42.4398 -117.53 61.7176 54.8601 -36.119 -69.7885 PRESSAVG: 4582200 95.5543 14.2332 1.07884 14.2332 -55.6051 11.6053 1.07887 11.6052 -14.4237 GPRESSAVG: 4582200 96.1259 15.5737 -1.31469 15.0882 -55.4263 14.4161 2.02401 11.2781 -15.2448 TIMING: 4582200 CPU: 13773.5, 0.00306902/step Wall: 13773.5, 0.00306902/step, 0.356177 hours remaining, 208.500000 MB of memory in use. ENERGY: 4582200 781.7944 2042.4195 1971.1647 117.3889 -206516.6563 17882.9075 0.0000 0.0000 34152.7445 -149568.2368 298.2644 -183720.9813 -149471.4076 298.5625 -77.0676 -42.3948 557581.3591 8.5085 8.4849 PRESSURE: 4582400 -79.1241 53.3227 129.454 53.3215 -303.604 -76.3492 129.454 -76.3497 -53.2106 GPRESSURE: 4582400 15.2858 88.3093 160.624 5.50471 -255.444 -124.567 90.3511 -6.53718 -103.715 PRESSAVG: 4582400 67.9959 16.3224 -40.9126 16.3224 -46.9347 22.1381 -40.9127 22.1381 -17.5918 GPRESSAVG: 4582400 68.5367 18.5508 -40.8764 14.57 -47.3952 21.8444 -41.0664 22.1956 -17.7599 TIMING: 4582400 CPU: 13774.1, 0.00305877/step Wall: 13774.1, 0.00305877/step, 0.354818 hours remaining, 208.500000 MB of memory in use. ENERGY: 4582400 759.7381 2093.9751 1925.9253 130.4295 -206296.0685 17721.0889 0.0000 0.0000 34030.1665 -149634.7452 297.1939 -183664.9117 -149538.3147 298.1915 -145.3130 -114.6245 558199.7820 1.1564 1.1272 PRESSURE: 4582600 -328.259 -197.195 72.6005 -197.193 120.072 102.538 72.601 102.54 -69.8784 GPRESSURE: 4582600 -214.321 -171.005 7.92985 -152.424 147.817 63.1894 85.8766 115.384 -103.413 PRESSAVG: 4582600 -17.1641 -40.6892 3.9058 -40.6892 -68.7 83.079 3.90593 83.0791 15.804 GPRESSAVG: 4582600 -17.9964 -44.1873 4.5966 -39.0779 -68.296 83.7732 5.03521 83.2438 16.7385 TIMING: 4582600 CPU: 13774.7, 0.00307634/step Wall: 13774.7, 0.00307634/step, 0.356685 hours remaining, 208.500000 MB of memory in use. ENERGY: 4582600 776.1975 2075.8140 1932.6686 111.1197 -206841.4986 18126.0507 0.0000 0.0000 34224.9999 -149594.6482 298.8954 -183819.6481 -149500.4678 298.0338 -92.6883 -56.6388 557771.7885 -23.3534 -23.1846 PRESSURE: 4582800 351.83 -29.5625 54.1116 -29.5627 70.4555 -74.8795 54.1103 -74.8804 337.459 GPRESSURE: 4582800 339.714 6.90485 11.2707 -28.6792 146.459 -79.5472 30.9266 -117.226 363.013 PRESSAVG: 4582800 24.1729 -32.0132 -31.5259 -32.0132 -31.1136 47.4039 -31.526 47.4039 13.0907 GPRESSAVG: 4582800 24.2792 -32.4641 -31.2636 -31.5391 -31.0139 46.052 -32.6216 47.9102 13.2242 TIMING: 4582800 CPU: 13775.3, 0.00306746/step Wall: 13775.3, 0.00306746/step, 0.355484 hours remaining, 208.500000 MB of memory in use. ENERGY: 4582800 758.6747 2129.3028 1926.5880 105.2213 -206614.5092 18011.4431 0.0000 0.0000 34304.0982 -149379.1812 299.5862 -183683.2793 -149277.1372 298.4792 253.2483 283.0622 555509.9895 2.0500 2.1632 PRESSURE: 4583000 12.2157 66.2115 31.8349 66.2111 138.094 20.7007 31.8349 20.7013 -0.318035 GPRESSURE: 4583000 67.9905 6.80922 141.094 29.1465 153.564 -19.104 -62.8371 20.7885 27.1443 PRESSAVG: 4583000 69.2174 -19.4134 -49.356 -19.4134 -35.2386 13.4678 -49.356 13.4679 18.4639 GPRESSAVG: 4583000 69.7591 -17.9427 -47.713 -20.0729 -34.0783 13.9115 -47.8781 12.812 16.7056 TIMING: 4583000 CPU: 13776, 0.0030704/step Wall: 13776, 0.0030704/step, 0.355655 hours remaining, 208.500000 MB of memory in use. ENERGY: 4583000 721.9860 2010.1860 1968.1846 118.0226 -206132.4547 17902.1377 0.0000 0.0000 34085.9301 -149326.0079 297.6809 -183411.9379 -149229.5390 298.1708 49.9971 82.8996 557889.5435 17.4809 17.4621 PRESSURE: 4583200 -136.862 143.116 -66.7139 143.117 160.744 -33.9861 -66.7133 -33.9864 227.854 GPRESSURE: 4583200 -95.0236 159.247 -168.545 152.951 240.171 -22.6 26.1363 4.60161 215.557 PRESSAVG: 4583200 -1.16367 -5.53854 -1.40011 -5.53853 -3.44695 -32.6973 -1.39991 -32.6973 -11.7177 GPRESSAVG: 4583200 -2.25871 -8.23691 -3.7847 -3.73888 -3.48617 -32.3705 -2.10798 -33.6705 -10.4894 TIMING: 4583200 CPU: 13776.6, 0.00304988/step Wall: 13776.6, 0.00304988/step, 0.353109 hours remaining, 208.500000 MB of memory in use. ENERGY: 4583200 742.6462 2084.3655 1977.1402 108.2415 -206316.3636 17953.3826 0.0000 0.0000 34343.8290 -149106.7587 299.9332 -183450.5877 -149012.9549 298.6498 83.9121 120.2350 557904.1329 -5.4428 -5.4114 PRESSURE: 4583400 -251.238 120.188 -3.65484 120.189 265.98 124.775 -3.65554 124.775 155.379 GPRESSURE: 4583400 -254.119 117.879 -30.5776 107.578 305.051 100.664 -7.72783 89.7765 215.632 PRESSAVG: 4583400 -34.1569 -17.6728 -56.6728 -17.6727 32.4652 -29.0297 -56.6729 -29.0298 51.7898 GPRESSAVG: 4583400 -34.2312 -17.6457 -56.6191 -17.8591 32.043 -29.0768 -58.6057 -27.2646 52.0075 TIMING: 4583400 CPU: 13777.2, 0.00304526/step Wall: 13777.2, 0.00304526/step, 0.352404 hours remaining, 208.500000 MB of memory in use. ENERGY: 4583400 707.0577 2106.0008 1957.2113 98.6504 -206161.4794 17937.8009 0.0000 0.0000 34291.9922 -149062.7662 299.4805 -183354.7584 -148971.8027 299.1842 56.7071 88.8546 559413.9057 16.6994 16.6065 PRESSURE: 4583600 143.861 153.565 -59.8508 153.566 28.7857 -124.894 -59.8502 -124.892 94.579 GPRESSURE: 4583600 144.54 168.069 -137.484 174.193 116.968 -62.567 -80.6552 -86.1167 99.2685 PRESSAVG: 4583600 -45.5682 59.2517 -37.294 59.2517 35.178 9.7217 -37.2941 9.72161 1.44711 GPRESSAVG: 4583600 -44.7788 59.9276 -37.4608 60.3489 34.6692 9.27562 -36.0437 9.04928 0.634731 TIMING: 4583600 CPU: 13777.8, 0.00303371/step Wall: 13777.8, 0.00303371/step, 0.350899 hours remaining, 208.500000 MB of memory in use. ENERGY: 4583600 743.4956 2119.6655 1954.2524 111.2549 -206048.2367 17743.1744 0.0000 0.0000 34312.7150 -149063.6788 299.6615 -183376.3939 -148971.0071 299.4658 89.0751 120.2587 557421.0315 -2.9810 -3.1583 PRESSURE: 4583800 -267.374 -6.35383 123.467 -6.35359 56.3289 -24.4803 123.468 -24.4807 -133.026 GPRESSURE: 4583800 -221.709 -50.2856 148.59 -28.9093 100.961 -92.3381 82.793 -20.2983 -126.486 PRESSAVG: 4583800 -50.1739 -19.0266 -10.0267 -19.0267 87.9738 -18.55 -10.0266 -18.5501 -51.0861 GPRESSAVG: 4583800 -50.7345 -19.8159 -11.1984 -20.4051 88.7894 -17.0135 -8.80116 -17.7313 -51.7431 TIMING: 4583800 CPU: 13778.4, 0.0030199/step Wall: 13778.4, 0.0030199/step, 0.349134 hours remaining, 208.500000 MB of memory in use. ENERGY: 4583800 750.2162 2069.0983 1941.9474 110.6917 -205809.0692 17540.4764 0.0000 0.0000 34337.4346 -149059.2047 299.8774 -183396.6393 -148963.3652 299.4648 -114.6903 -82.4112 556735.4028 -4.4287 -4.5627 PRESSURE: 4584000 196.017 5.07785 -16.8857 5.07913 94.2271 -28.2792 -16.885 -28.2797 19.2692 GPRESSURE: 4584000 180.78 -18.5337 -80.0383 -11.5264 174.645 67.746 3.56496 -18.0036 54.8242 PRESSAVG: 4584000 -13.0882 19.7082 -55.9652 19.7083 18.7375 -29.0499 -55.9653 -29.05 -31.2996 GPRESSAVG: 4584000 -12.5212 19.7054 -55.3128 21.3009 17.3382 -29.2219 -56.0299 -29.0063 -30.3576 TIMING: 4584000 CPU: 13779, 0.00301695/step Wall: 13779, 0.00301695/step, 0.348626 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: 4584000 739.0532 2020.0169 1952.0941 117.9061 -205899.5680 17740.8745 0.0000 0.0000 34412.2703 -148917.3527 300.5309 -183329.6231 -148821.7960 299.7377 103.1711 136.7499 554077.1992 -8.5501 -8.5135 PRESSURE: 4584200 227.21 106.321 115.235 106.322 -41.4912 38.0993 115.236 38.0981 48.4647 GPRESSURE: 4584200 242.15 124.931 85.3151 138.113 -68.6641 19.9834 75.0898 92.2418 152.061 PRESSAVG: 4584200 -63.2151 -4.17647 -41.8916 -4.17647 71.0081 -37.7868 -41.8917 -37.7868 2.47674 GPRESSAVG: 4584200 -61.9643 -3.81249 -42.4684 -5.54452 70.5541 -36.0705 -43.6386 -37.4346 1.52013 TIMING: 4584200 CPU: 13779.6, 0.00304453/step Wall: 13779.6, 0.00304453/step, 0.351643 hours remaining, 208.500000 MB of memory in use. ENERGY: 4584200 718.1262 2086.2755 1954.8833 113.0287 -206003.7037 17710.0965 0.0000 0.0000 34720.1375 -148701.1560 303.2196 -183421.2935 -148601.4602 300.6857 78.0612 108.5159 556845.4048 3.4232 3.3700 LDB: ============= START OF LOAD BALANCING ============== 13783 LDB: ============== END OF LOAD BALANCING =============== 13783 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13783 LDB: ============= START OF LOAD BALANCING ============== 13783.3 LDB: Largest compute 4820 load 0.026788 is 22.7% of average load 0.118103 LDB: Average compute 0.001741 is 1.5% of average load 0.118103 LDB: TIME 13783.4 LOAD: AVG 0.118103 MAX 0.218294 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.16 MB LDB: TIME 13783.4 LOAD: AVG 0.118103 MAX 0.218294 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.164 MB LDB: TIME 13783.4 LOAD: AVG 0.118103 MAX 0.218294 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.164 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13783.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13783.4 PRESSURE: 4584400 -231.111 32.5758 121.265 32.5759 -106.966 -151.977 121.266 -151.978 128.098 GPRESSURE: 4584400 -223.006 96.9769 92.0407 103.926 -29.8532 -206.683 136.623 -117.029 138.79 PRESSAVG: 4584400 -15.5356 9.85599 -65.5947 9.856 -23.6037 -38.6014 -65.5946 -38.6014 48.9925 GPRESSAVG: 4584400 -16.8911 10.675 -63.9125 8.72668 -23.0033 -41.2475 -66.1061 -38.0775 49.2511 TIMING: 4584400 CPU: 13780.2, 0.00314651/step Wall: 13780.2, 0.00314651/step, 0.363248 hours remaining, 208.640625 MB of memory in use. ENERGY: 4584400 771.2708 2149.0078 1951.8562 107.9049 -205344.9045 17472.4037 0.0000 0.0000 34147.7962 -148744.6649 298.2212 -182892.4611 -148657.0707 301.5713 -69.9927 -38.0230 557771.4827 3.2844 3.1189 PRESSURE: 4584600 -261.355 84.8463 98.3987 84.8469 123.391 -102.129 98.3981 -102.129 -164.269 GPRESSURE: 4584600 -212.104 32.0115 2.8373 152.404 154.634 -30.5381 42.5483 -109.118 -147.074 PRESSAVG: 4584600 -13.1451 -23.1103 -3.14569 -23.1104 48.5723 33.8386 -3.14575 33.8386 -57.2197 GPRESSAVG: 4584600 -12.6057 -23.6731 -4.51403 -22.6982 47.8497 32.7698 -1.03751 34.7383 -57.6665 TIMING: 4584600 CPU: 13780.8, 0.00310064/step Wall: 13780.8, 0.00310064/step, 0.357779 hours remaining, 208.843750 MB of memory in use. ENERGY: 4584600 728.1505 2081.0749 1960.2969 115.5727 -205912.1523 17722.0095 0.0000 0.0000 34534.8382 -148770.2095 301.6013 -183305.0477 -148677.9389 300.5514 -100.7448 -68.1812 557890.9063 -7.2641 -7.4742 PRESSURE: 4584800 -321.059 -154.874 181.966 -154.875 7.89432 104.003 181.964 104.004 -295.593 GPRESSURE: 4584800 -293.49 -93.0743 97.3566 -227.822 38.2427 -51.9588 190.168 144.61 -261.205 PRESSAVG: 4584800 8.97707 25.2677 -10.5115 25.2676 47.1913 19.3259 -10.5115 19.3259 -27.4364 GPRESSAVG: 4584800 7.02983 27.3255 -9.84333 25.8064 49.4878 20.7074 -12.3297 18.1923 -27.2409 TIMING: 4584800 CPU: 13781.5, 0.00309214/step Wall: 13781.5, 0.00309214/step, 0.356627 hours remaining, 208.843750 MB of memory in use. ENERGY: 4584800 753.9397 2073.3641 1952.5559 106.3004 -205621.6382 17465.9997 0.0000 0.0000 34548.5985 -148720.8799 301.7215 -183269.4784 -148622.9770 300.4388 -202.9194 -172.1506 558463.0256 9.5773 9.7589 PRESSURE: 4585000 -267.894 25.4562 -109.872 25.4541 -101.194 98.6427 -109.873 98.6432 -18.4363 GPRESSURE: 4585000 -253.028 64.0501 -178.702 -16.6992 -80.5413 174.182 -61.0363 33.8312 41.7044 PRESSAVG: 4585000 -32.609 -19.5834 -5.34561 -19.5834 17.2006 13.2594 -5.34554 13.2595 37.1925 GPRESSAVG: 4585000 -32.901 -20.7917 -6.05209 -19.5567 16.5518 14.751 -4.76506 13.5528 37.5979 TIMING: 4585000 CPU: 13782.1, 0.00306982/step Wall: 13782.1, 0.00306982/step, 0.353882 hours remaining, 208.843750 MB of memory in use. ENERGY: 4585000 733.5846 2088.5235 1966.5892 105.4893 -205543.7152 17462.4268 0.0000 0.0000 34454.8936 -148732.2083 300.9032 -183187.1019 -148635.7649 300.6307 -129.1749 -97.2882 557811.3902 7.2614 7.0829 PRESSURE: 4585200 -113.472 40.0056 65.946 40.0068 -38.2255 -98.7151 65.9463 -98.7145 -24.9638 GPRESSURE: 4585200 -38.172 -14.1825 126.572 49.8852 26.8039 -31.3182 -6.51386 -134.809 -70.9186 PRESSAVG: 4585200 59.6642 27.3767 -8.48337 27.3767 -21.652 12.5856 -8.48335 12.5855 -26.1078 GPRESSAVG: 4585200 61.2323 28.3152 -7.39 27.2881 -21.9278 12.2554 -7.16705 11.6813 -27.4977 TIMING: 4585200 CPU: 13782.7, 0.00307761/step Wall: 13782.7, 0.00307761/step, 0.354609 hours remaining, 208.843750 MB of memory in use. ENERGY: 4585200 790.4863 2090.7399 1949.3932 116.3344 -205862.7503 17772.5074 0.0000 0.0000 34530.5603 -148612.7288 301.5640 -183143.2891 -148519.3360 300.6971 -58.8870 -27.4289 558184.7420 3.9681 3.9356 PRESSURE: 4585400 -53.0241 -101.098 -25.9422 -101.098 -178.579 9.21198 -25.9441 9.21176 215.573 GPRESSURE: 4585400 14.8852 -72.2434 -63.5429 -121 -180.426 -8.97468 19.3774 1.04553 255.938 PRESSAVG: 4585400 15.4062 -43.255 -41.1748 -43.2549 -10.057 17.1803 -41.1747 17.1802 3.29883 GPRESSAVG: 4585400 16.3219 -43.3239 -42.4736 -42.3244 -11.184 18.3624 -43.3886 16.5087 3.59457 TIMING: 4585400 CPU: 13783.3, 0.00304807/step Wall: 13783.3, 0.00304807/step, 0.351037 hours remaining, 208.843750 MB of memory in use. ENERGY: 4585400 744.2517 2080.6699 1923.6212 122.0414 -205664.4439 17619.9245 0.0000 0.0000 34582.2300 -148591.7051 302.0152 -183173.9351 -148494.0465 301.7276 -5.3435 30.1322 557503.5231 2.8827 2.9108 PRESSURE: 4585600 -42.4293 -78.9677 -5.23705 -78.9685 7.08461 76.0136 -5.23711 76.0135 75.0513 GPRESSURE: 4585600 -22.7117 26.0377 23.2046 -112.975 51.036 90.2145 -8.15598 88.7123 99.8614 PRESSAVG: 4585600 -58.6664 -16.8585 -13.6924 -16.8585 -11.7092 3.81638 -13.6923 3.81637 63.391 GPRESSAVG: 4585600 -60.4817 -16.8902 -11.984 -19.1287 -10.9015 4.74611 -14.3975 5.06761 64.1899 TIMING: 4585600 CPU: 13783.9, 0.00305521/step Wall: 13783.9, 0.00305521/step, 0.351688 hours remaining, 208.843750 MB of memory in use. ENERGY: 4585600 723.3831 2145.4547 1945.0085 102.0375 -205638.4055 17598.2966 0.0000 0.0000 34325.6379 -148798.5872 299.7743 -183124.2251 -148704.6419 301.0322 13.2355 42.7286 557300.5102 -2.3282 -2.3978 PRESSURE: 4585800 -113.333 -59.6915 -67.4841 -59.6903 -212.119 -103.495 -67.4841 -103.494 -21.1249 GPRESSURE: 4585800 -50.1166 -88.5115 -133.742 -90.6141 -211.043 -61.1387 -9.73954 -190.02 13.9863 PRESSAVG: 4585800 38.4432 -4.17834 -5.17743 -4.17831 -22.5821 33.4988 -5.1774 33.4989 19.1193 GPRESSAVG: 4585800 39.6948 -4.84061 -3.97016 -2.72616 -23.1926 30.6357 -3.32893 33.3207 18.4668 TIMING: 4585800 CPU: 13784.5, 0.00305441/step Wall: 13784.5, 0.00305441/step, 0.351427 hours remaining, 208.843750 MB of memory in use. ENERGY: 4585800 754.8548 2113.6324 1955.2129 117.9304 -205483.5931 17391.5015 0.0000 0.0000 34469.5389 -148680.9222 301.0311 -183150.4611 -148584.9614 300.4340 -115.5258 -82.3911 558171.0741 11.6601 11.6563 PRESSURE: 4586000 166.373 125.459 -25.4174 125.461 -83.3974 72.3611 -25.4172 72.3608 -81.2442 GPRESSURE: 4586000 174.604 145.623 -21.0255 78.9966 -74.6114 128.916 -43.6523 -40.92 16.8915 PRESSAVG: 4586000 9.61689 -82.2684 -24.4374 -82.2684 -34.9869 -20.638 -24.4374 -20.638 12.3189 GPRESSAVG: 4586000 9.30029 -81.8577 -25.6036 -82.6512 -34.4943 -19.6652 -26.072 -20.5732 12.2621 TIMING: 4586000 CPU: 13785.1, 0.00306613/step Wall: 13785.1, 0.00306613/step, 0.352605 hours remaining, 208.843750 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: 4586000 738.3414 2062.6943 1945.4200 104.3964 -205748.2923 17695.1951 0.0000 0.0000 34437.5287 -148764.7164 300.7515 -183202.2451 -148668.1512 300.6212 0.5771 38.9613 559064.1391 -4.3504 -4.3106 PRESSURE: 4586200 -330.798 -77.4922 -184.215 -77.4934 -22.6683 -118.194 -184.216 -118.194 -199.195 GPRESSURE: 4586200 -263.866 -27.5665 -80.7713 -26.5282 -29.505 -143.088 -192.35 -141.535 -162.402 PRESSAVG: 4586200 51.0762 14.0416 -62.1979 14.0416 -7.31223 9.12198 -62.1979 9.12191 -29.9668 GPRESSAVG: 4586200 50.6439 13.8116 -62.0657 16.025 -7.32871 8.37873 -62.368 8.57577 -29.376 TIMING: 4586200 CPU: 13785.8, 0.00304714/step Wall: 13785.8, 0.00304714/step, 0.350252 hours remaining, 208.843750 MB of memory in use. ENERGY: 4586200 759.8287 2098.3650 1939.5527 132.2802 -205571.4019 17567.6464 0.0000 0.0000 34590.2017 -148483.5270 302.0848 -183073.7288 -148378.6223 301.4060 -184.2201 -151.9244 559252.5954 4.5991 4.6464 PRESSURE: 4586400 256.102 -171.852 -158.046 -171.852 134.869 -105.658 -158.046 -105.658 269.066 GPRESSURE: 4586400 241.037 -160.835 -162.382 -159.756 183.338 -195.102 -103.624 -149.667 329.873 PRESSAVG: 4586400 69.1831 -24.1925 2.31492 -24.1925 -37.3716 -57.5313 2.31506 -57.5314 14.2195 GPRESSAVG: 4586400 69.3981 -21.9418 2.22857 -28.3398 -36.2037 -57.7784 2.42633 -57.2306 13.0534 TIMING: 4586400 CPU: 13786.4, 0.00303637/step Wall: 13786.4, 0.00303637/step, 0.348845 hours remaining, 208.843750 MB of memory in use. ENERGY: 4586400 734.6129 2080.7230 1958.7722 101.8509 -205874.1018 18042.4969 0.0000 0.0000 34336.8084 -148618.8376 299.8719 -182955.6460 -148523.2581 301.4951 220.0122 251.4159 558153.2351 15.3437 15.4159 PRESSURE: 4586600 -297.341 96.8334 58.9721 96.8321 -75.9492 -33.1134 58.9722 -33.1138 -137.495 GPRESSURE: 4586600 -308.805 63.6212 46.7402 171.247 -16.2568 -11.1747 2.04006 -15.4463 -87.0988 PRESSAVG: 4586600 10.1443 13.3729 52.261 13.3729 -58.2689 1.87843 52.261 1.87845 39.4031 GPRESSAVG: 4586600 9.7649 13.8381 53.4282 15.2333 -59.1046 2.76922 51.6211 1.14237 40.8644 TIMING: 4586600 CPU: 13787, 0.00303567/step Wall: 13787, 0.00303567/step, 0.348596 hours remaining, 208.843750 MB of memory in use. ENERGY: 4586600 729.1211 2079.8288 1932.1903 113.0135 -205596.0838 17541.0852 0.0000 0.0000 34451.9874 -148748.8574 300.8778 -183200.8448 -148643.8065 300.3847 -170.2617 -137.3870 559257.1416 -2.9072 -2.8251 PRESSURE: 4586800 186.51 93.0318 110.143 93.0307 -50.0175 187.045 110.144 187.046 -6.359 GPRESSURE: 4586800 220.8 52.7638 101.816 169.266 3.90525 205.834 51.169 200.765 11.9269 PRESSAVG: 4586800 19.56 -5.2557 38.1697 -5.25565 -10.4873 37.2243 38.1697 37.2244 -56.6418 GPRESSAVG: 4586800 19.9121 -6.76281 37.2457 -4.98836 -9.85818 37.6933 38.2348 38.1545 -57.4545 TIMING: 4586800 CPU: 13787.6, 0.00307697/step Wall: 13787.6, 0.00307697/step, 0.353168 hours remaining, 208.843750 MB of memory in use. ENERGY: 4586800 757.1979 2136.5229 1969.6545 117.6086 -206312.6618 18048.3542 0.0000 0.0000 34395.8446 -148887.4791 300.3875 -183283.3237 -148790.6965 300.1827 43.3778 78.8775 557539.4346 -15.8564 -15.8002 PRESSURE: 4587000 35.8369 191.27 -208.032 191.27 145.494 -81.6688 -208.031 -81.6693 -35.0777 GPRESSURE: 4587000 32.8069 293.607 -232.561 121.407 186.503 -17.0495 -253.32 -78.8425 13.2168 PRESSAVG: 4587000 -35.3599 39.154 -3.81911 39.154 -11.8054 -1.47304 -3.81912 -1.47311 42.9618 GPRESSAVG: 4587000 -35.869 38.8319 -4.58934 39.9028 -12.3709 -2.63529 -4.38095 -2.84884 43.6529 TIMING: 4587000 CPU: 13788.2, 0.00310311/step Wall: 13788.2, 0.00310311/step, 0.355995 hours remaining, 208.843750 MB of memory in use. ENERGY: 4587000 715.2588 2070.9094 1977.2057 111.1963 -206236.6940 17938.8314 0.0000 0.0000 34324.8910 -149098.4015 299.7678 -183423.2925 -149005.0020 300.2410 48.7512 77.5088 558575.4530 -1.4012 -1.5290 PRESSURE: 4587200 225.618 -10.1598 -144.317 -10.1616 -1.46567 -9.6665 -144.316 -9.66772 245.16 GPRESSURE: 4587200 261.903 -29.8895 -151.53 -6.8613 40.4606 -54.0539 -54.8261 -34.7311 258.937 PRESSAVG: 4587200 28.0469 7.79419 -67.6549 7.79423 8.05194 -18.2781 -67.6549 -18.2781 3.06805 GPRESSAVG: 4587200 28.658 8.93785 -67.5643 7.17008 8.3575 -18.3737 -66.8109 -17.3426 2.62752 TIMING: 4587200 CPU: 13788.8, 0.00307694/step Wall: 13788.8, 0.00307694/step, 0.352823 hours remaining, 208.843750 MB of memory in use. ENERGY: 4587200 740.7387 2045.8203 1948.5088 127.6204 -206259.8885 17979.6430 0.0000 0.0000 34294.5206 -149123.0367 299.5026 -183417.5573 -149029.9720 298.7255 156.4372 187.1002 558813.7180 13.0556 13.2143 PRESSURE: 4587400 -188.085 -56.7921 68.4602 -56.795 -287.767 -73.8164 68.4606 -73.8167 -170.931 GPRESSURE: 4587400 -125.013 -87.1783 7.38234 20.1895 -274.421 -36.8283 64.7098 -9.58566 -144.939 PRESSAVG: 4587400 63.1295 16.7095 17.7997 16.7093 -19.1727 -0.865568 17.7997 -0.86562 -33.9287 GPRESSAVG: 4587400 63.1185 17.0146 16.8507 15.6712 -18.9579 0.216933 18.8647 -1.5298 -34.0002 TIMING: 4587400 CPU: 13789.4, 0.0030614/step Wall: 13789.4, 0.0030614/step, 0.350871 hours remaining, 208.843750 MB of memory in use. ENERGY: 4587400 769.3760 2080.5487 1961.3730 108.3272 -205843.2348 17580.3531 0.0000 0.0000 34272.9923 -149070.2645 299.3146 -183343.2568 -148972.7797 299.1087 -215.5941 -181.4572 559900.4403 3.3427 3.3868 PRESSURE: 4587600 -79.9584 126.194 62.8069 126.193 82.0836 -2.87238 62.8063 -2.87191 -160.516 GPRESSURE: 4587600 -17.6513 97.3024 86.3811 54.863 92.9198 -16.732 -29.9893 -39.9919 -128.37 PRESSAVG: 4587600 13.3889 -49.1347 18.2345 -49.1347 -13.1194 4.61826 18.2346 4.61843 -28.9366 GPRESSAVG: 4587600 13.8506 -49.011 18.4113 -47.0985 -13.7203 3.918 17.7767 4.08867 -27.8955 TIMING: 4587600 CPU: 13790, 0.00304889/step Wall: 13790, 0.00304889/step, 0.349268 hours remaining, 208.843750 MB of memory in use. ENERGY: 4587600 745.1929 2043.9702 1967.0920 109.0601 -206155.4209 17938.2087 0.0000 0.0000 34383.8442 -148968.0526 300.2827 -183351.8969 -148868.5502 299.8386 -52.7970 -17.7006 559215.9752 -9.5557 -9.2551 PRESSURE: 4587800 -182.066 88.8537 56.3839 88.8522 -107.105 -26.6627 56.3835 -26.6617 -140.975 GPRESSURE: 4587800 -132.708 50.9127 137.491 140.172 -121.487 -55.0806 -7.90765 -4.82497 -72.8181 PRESSAVG: 4587800 1.00693 14.394 -1.08871 14.394 18.1773 -25.7069 -1.08884 -25.7069 -59.6442 GPRESSAVG: 4587800 -0.167187 14.253 0.72873 12.1215 18.759 -23.8767 -2.10699 -25.3512 -58.6517 TIMING: 4587800 CPU: 13790.6, 0.00303905/step Wall: 13790.6, 0.00303905/step, 0.347971 hours remaining, 208.843750 MB of memory in use. ENERGY: 4587800 742.0008 2112.5630 1979.7505 129.3135 -206257.4115 17769.4112 0.0000 0.0000 34251.8031 -149272.5693 299.1295 -183524.3724 -149174.8942 299.0529 -143.3817 -109.0044 558904.3436 -13.4867 -13.3533 PRESSURE: 4588000 -39.9728 -129.515 79.1707 -129.516 -0.151373 94.4904 79.1705 94.4912 -8.7826 GPRESSURE: 4588000 -12.4978 -128.666 -5.765 -53.5194 56.7463 131.235 138.956 78.0468 8.30502 PRESSAVG: 4588000 18.9667 -13.3812 27.974 -13.3811 -22.9951 -15.2997 27.974 -15.2997 -35.1537 GPRESSAVG: 4588000 19.867 -13.5358 25.9211 -12.3922 -22.6031 -17.3923 27.9298 -13.9839 -36.5956 TIMING: 4588000 CPU: 13791.3, 0.00305711/step Wall: 13791.3, 0.00305711/step, 0.349869 hours remaining, 208.843750 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: 4588000 755.8879 2058.4961 1948.4450 117.0045 -205961.6009 17708.7693 0.0000 0.0000 34069.6391 -149303.3589 297.5386 -183372.9980 -149207.5029 299.2037 -16.3023 17.5178 557696.0649 -13.0607 -13.1106 PRESSURE: 4588200 -96.6484 -25.1158 -117.749 -25.1165 -161.945 -114.459 -117.751 -114.46 126.344 GPRESSURE: 4588200 -60.4657 -98.8208 -104.528 -5.15602 -84.3928 -146.331 -74.3329 -129.866 115.909 PRESSAVG: 4588200 -72.3742 33.4287 -11.9005 33.4287 18.5866 -67.0095 -11.9005 -67.0094 79.581 GPRESSAVG: 4588200 -71.8129 33.4982 -11.2316 33.9904 19.2424 -65.8595 -11.0609 -69.1894 78.5759 TIMING: 4588200 CPU: 13791.9, 0.00304676/step Wall: 13791.9, 0.00304676/step, 0.348516 hours remaining, 208.843750 MB of memory in use. ENERGY: 4588200 733.9611 2044.9999 1945.6987 111.6900 -206103.5006 17777.2969 0.0000 0.0000 34162.6490 -149327.2050 298.3509 -183489.8540 -149237.4307 298.8392 -44.0831 -9.6497 556779.1315 8.5978 8.6685 LDB: ============= START OF LOAD BALANCING ============== 13795.3 LDB: ============== END OF LOAD BALANCING =============== 13795.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13795.3 LDB: ============= START OF LOAD BALANCING ============== 13795.6 LDB: Largest compute 4820 load 0.027531 is 23.3% of average load 0.118065 LDB: Average compute 0.001741 is 1.5% of average load 0.118065 LDB: TIME 13795.6 LOAD: AVG 0.118065 MAX 0.215802 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.156 MB LDB: TIME 13795.6 LOAD: AVG 0.118065 MAX 0.215802 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.156 MB LDB: TIME 13795.6 LOAD: AVG 0.118065 MAX 0.215802 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.156 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13795.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13795.6 PRESSURE: 4588400 -151.549 -12.5316 99.0508 -12.5306 -24.0558 -13.3113 99.0517 -13.3092 -64.9654 GPRESSURE: 4588400 -94.0937 17.5427 116.221 -14.6299 -4.43857 35.3618 89.7993 -54.0848 -35.0181 PRESSAVG: 4588400 -49.173 -17.0264 -11.6808 -17.0264 21.9294 -62.1015 -11.6808 -62.1015 25.9943 GPRESSAVG: 4588400 -49.3776 -16.8627 -12.1878 -17.1338 20.7225 -61.1232 -11.142 -60.3461 27.9828 TIMING: 4588400 CPU: 13792.5, 0.00310963/step Wall: 13792.5, 0.00310963/step, 0.355535 hours remaining, 207.156250 MB of memory in use. ENERGY: 4588400 735.3870 2067.2355 1960.8505 101.9202 -206190.0896 17651.0623 0.0000 0.0000 34328.9515 -149344.6827 299.8033 -183673.6342 -149255.4236 298.7537 -80.1902 -44.5168 556680.6656 -0.4164 -0.2241 PRESSURE: 4588600 111.071 -204.227 66.1682 -204.228 -275.398 -93.356 66.1695 -93.3546 128.242 GPRESSURE: 4588600 182.977 -203.87 148.933 -229.014 -226.389 -44.1345 48.9861 -42.7159 106.328 PRESSAVG: 4588600 -31.2875 -35.5305 6.06247 -35.5306 67.3183 -28.5557 6.06244 -28.5557 -33.6237 GPRESSAVG: 4588600 -31.3676 -36.8369 7.20032 -34.0775 67.0597 -28.4112 3.37955 -28.2545 -33.444 TIMING: 4588600 CPU: 13793.1, 0.00304562/step Wall: 13793.1, 0.00304562/step, 0.348047 hours remaining, 207.414062 MB of memory in use. ENERGY: 4588600 738.9673 2088.9317 1952.9607 125.6430 -206535.3785 18018.6684 0.0000 0.0000 34086.5222 -149523.6852 297.6861 -183610.2074 -149433.8655 298.1560 -12.0284 20.9717 556111.0363 0.8024 0.7494 PRESSURE: 4588800 -321.961 -74.5026 -167.134 -74.5032 -332.88 -43.2297 -167.135 -43.2291 -184.548 GPRESSURE: 4588800 -291.959 -100.184 -110.467 -58.4663 -297.989 -9.29713 -231.302 -53.116 -151.482 PRESSAVG: 4588800 -13.3324 -34.4027 15.5306 -34.4028 1.92114 -7.52954 15.5307 -7.52943 1.82705 GPRESSAVG: 4588800 -13.0804 -34.3228 14.12 -35.2706 2.17572 -8.92605 17.6933 -8.75333 1.43946 TIMING: 4588800 CPU: 13793.7, 0.00304994/step Wall: 13793.7, 0.00304994/step, 0.34837 hours remaining, 207.414062 MB of memory in use. ENERGY: 4588800 752.9947 2097.4365 1934.6223 105.0634 -206060.9346 17519.1977 0.0000 0.0000 34269.6722 -149381.9477 299.2856 -183651.6198 -149294.5131 298.6526 -279.7962 -247.1432 558516.7536 -3.1947 -3.1551 PRESSURE: 4589000 -46.3315 -44.988 117.953 -44.9873 219.022 -181.74 117.953 -181.74 114.389 GPRESSURE: 4589000 -26.6265 -25.7396 159.66 -15.0128 263.926 -135.292 132.142 -192.849 161.668 PRESSAVG: 4589000 -30.4479 -10.6462 19.6685 -10.6461 49.5142 -24.6029 19.6685 -24.6028 0.416195 GPRESSAVG: 4589000 -30.0355 -9.74586 18.6052 -12.3559 49.3135 -24.3431 19.4165 -24.6897 0.286982 TIMING: 4589000 CPU: 13794.3, 0.00306385/step Wall: 13794.3, 0.00306385/step, 0.34979 hours remaining, 207.519531 MB of memory in use. ENERGY: 4589000 752.4019 2075.7106 1932.4999 110.2471 -206458.6770 18002.1476 0.0000 0.0000 34140.4409 -149445.2290 298.1570 -183585.6699 -149344.1920 299.1574 95.6930 132.9893 558933.4087 6.4942 6.5217 PRESSURE: 4589200 55.6194 -270.673 40.1289 -270.672 226.384 225.588 40.1268 225.588 -135.524 GPRESSURE: 4589200 85.9979 -294.171 22.0863 -239.563 295.107 175.934 97.8073 232.739 -141.721 PRESSAVG: 4589200 -12.2992 -30.5088 19.013 -30.5087 -16.2375 54.0703 19.013 54.0703 10.0268 GPRESSAVG: 4589200 -12.2732 -32.0582 19.7363 -30.0045 -15.8305 52.0281 18.611 56.9389 9.40987 TIMING: 4589200 CPU: 13794.9, 0.00306969/step Wall: 13794.9, 0.00306969/step, 0.350286 hours remaining, 207.519531 MB of memory in use. ENERGY: 4589200 726.3654 2085.1983 1936.0249 112.9979 -206146.5113 17836.7639 0.0000 0.0000 34167.8107 -149281.3503 298.3960 -183449.1610 -149186.7491 298.0897 48.8266 79.7946 558868.5466 -6.1700 -6.2313 PRESSURE: 4589400 -214.932 -91.7753 -72.1788 -91.7746 -120.196 -2.69527 -72.1788 -2.69674 -175.519 GPRESSURE: 4589400 -239.284 -77.8306 -116.038 -169.903 -61.1898 -64.7308 -3.53402 141.095 -108.685 PRESSAVG: 4589400 -21.1363 -22.2002 -0.723716 -22.2003 58.9996 82.2936 -0.723666 82.2935 -35.696 GPRESSAVG: 4589400 -20.7245 -22.9034 -0.912727 -21.8071 58.6491 84.4556 -0.857843 81.2061 -35.4884 TIMING: 4589400 CPU: 13795.6, 0.00308599/step Wall: 13795.6, 0.00308599/step, 0.351974 hours remaining, 207.519531 MB of memory in use. ENERGY: 4589400 731.1798 2063.1831 1953.4537 118.8054 -206252.4061 17572.4535 0.0000 0.0000 34179.4487 -149633.8818 298.4976 -183813.3305 -149534.8407 298.3148 -170.2156 -136.3861 558415.1874 0.7225 0.8121 PRESSURE: 4589600 -74.442 -13.4385 28.9744 -13.4389 87.7071 113.482 28.9736 113.481 -72.5785 GPRESSURE: 4589600 -6.51929 19.1106 60.3863 -49.3826 142.25 95.9646 62.0897 104.625 -92.9397 PRESSAVG: 4589600 -61.5916 -27.3146 -40.7183 -27.3146 38.7099 -8.22778 -40.7184 -8.22776 62.6153 GPRESSAVG: 4589600 -62.1561 -25.3263 -38.2736 -27.9242 39.6114 -7.7546 -41.4141 -8.39056 62.685 TIMING: 4589600 CPU: 13796.2, 0.0030763/step Wall: 13796.2, 0.0030763/step, 0.350699 hours remaining, 207.519531 MB of memory in use. ENERGY: 4589600 759.0554 2032.8690 1941.5719 131.5608 -206380.1087 17774.7257 0.0000 0.0000 34105.5198 -149634.8061 297.8520 -183740.3259 -149542.4358 297.4684 -19.7711 14.2636 557464.4473 13.2446 13.3801 PRESSURE: 4589800 133.146 -13.2531 -99.4529 -13.2526 72.6241 -44.5356 -99.4535 -44.535 77.3008 GPRESSURE: 4589800 166.958 -29.1591 -138.983 1.62396 120.418 -52.1579 8.56331 15.1074 102.418 PRESSAVG: 4589800 24.5841 -39.8105 16.5757 -39.8105 -44.5278 45.0129 16.5756 45.0128 -1.19986 GPRESSAVG: 4589800 24.092 -40.1545 13.5822 -40.1485 -44.8415 44.2077 16.8934 46.863 -1.04653 TIMING: 4589800 CPU: 13796.8, 0.00307973/step Wall: 13796.8, 0.00307973/step, 0.350918 hours remaining, 207.519531 MB of memory in use. ENERGY: 4589800 765.6692 2031.2288 1925.2341 123.2319 -206862.5976 18312.6190 0.0000 0.0000 34179.4862 -149525.1284 298.4980 -183704.6146 -149430.6394 297.6502 94.3570 129.9312 557670.2859 -7.0478 -7.2653 PRESSURE: 4590000 102.311 -6.9235 -29.6082 -6.92463 162.289 -21.7365 -29.6084 -21.7369 63.2196 GPRESSURE: 4590000 190.942 -81.0655 -149.255 -41.4809 159.221 -43.3881 33.0828 -13.3909 95.127 PRESSAVG: 4590000 -28.3828 -0.972426 -32.3769 -0.972477 59.6509 34.8488 -32.377 34.8489 -9.36003 GPRESSAVG: 4590000 -27.6757 -2.16774 -32.934 -1.234 59.3535 33.4591 -31.7722 32.1267 -9.84627 TIMING: 4590000 CPU: 13797.4, 0.00308397/step Wall: 13797.4, 0.00308397/step, 0.35123 hours remaining, 207.519531 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: 4590000 745.1129 2056.0331 1933.3419 107.3608 -206635.4256 18158.4681 0.0000 0.0000 34222.5869 -149412.5219 298.8744 -183635.1088 -149309.6215 298.0327 109.2731 148.4298 557357.0693 7.3027 7.2772 PRESSURE: 4590200 -120.789 112.062 -86.721 112.064 60.1377 -23.4175 -86.722 -23.4169 58.7226 GPRESSURE: 4590200 -68.1772 94.0836 -42.0466 71.0228 87.2647 -49.8641 -14.4164 40.0017 83.3303 PRESSAVG: 4590200 32.3015 -37.8638 6.84772 -37.8638 25.2374 -16.7712 6.84783 -16.7712 18.2639 GPRESSAVG: 4590200 32.0905 -37.0402 8.09135 -36.2675 25.7875 -15.264 6.291 -16.8784 17.3603 TIMING: 4590200 CPU: 13798, 0.00305505/step Wall: 13798, 0.00305505/step, 0.347767 hours remaining, 207.519531 MB of memory in use. ENERGY: 4590200 736.5841 2119.2007 1989.6780 114.6729 -206413.7626 17893.1096 0.0000 0.0000 34015.8835 -149544.6339 297.0692 -183560.5174 -149451.9025 298.4388 -0.6429 34.1393 557013.4106 25.2676 25.0794 PRESSURE: 4590400 -362.118 85.8007 227.654 85.8015 73.5445 -126.307 227.654 -126.306 -354.008 GPRESSURE: 4590400 -399.826 69.6856 255.144 13.9623 122.121 -10.1395 196.248 -173.678 -265.359 PRESSAVG: 4590400 -17.3629 10.4462 6.65072 10.4461 65.3876 -38.1952 6.65082 -38.1953 -34.7474 GPRESSAVG: 4590400 -18.6719 8.29034 7.52245 8.68838 64.983 -38.1995 6.99336 -38.2616 -33.5806 TIMING: 4590400 CPU: 13798.6, 0.00308858/step Wall: 13798.6, 0.00308858/step, 0.351412 hours remaining, 207.519531 MB of memory in use. ENERGY: 4590400 769.9366 2098.7357 1972.6387 97.6572 -206354.5092 17724.0144 0.0000 0.0000 34219.5508 -149471.9756 298.8478 -183691.5265 -149383.8007 298.8926 -214.1940 -181.0216 558677.2544 4.4258 4.2435 PRESSURE: 4590600 -224.375 -68.8066 -67.16 -68.8071 -41.3568 67.3807 -67.1591 67.3784 49.3811 GPRESSURE: 4590600 -179.76 -58.8899 -3.29685 -117.033 -21.504 -5.94315 -96.1909 87.6996 78.8743 PRESSAVG: 4590600 -25.0789 26.1615 38.4726 26.1615 28.4119 -2.26874 38.4728 -2.26863 -15.5375 GPRESSAVG: 4590600 -22.1546 28.7835 35.4897 26.2023 27.0458 -3.30465 39.1192 -1.04346 -16.3627 TIMING: 4590600 CPU: 13799.2, 0.00307239/step Wall: 13799.2, 0.00307239/step, 0.349399 hours remaining, 207.519531 MB of memory in use. ENERGY: 4590600 739.3275 2065.0045 1969.4019 111.5173 -206254.5102 17833.3413 0.0000 0.0000 34168.7790 -149367.1387 298.4044 -183535.9177 -149274.6062 298.9542 -72.1170 -40.7966 558376.4397 -4.0682 -3.8238 PRESSURE: 4590800 69.7288 -51.5828 134.877 -51.583 -256.336 -8.11963 134.877 -8.11787 -135.061 GPRESSURE: 4590800 118.958 -45.129 71.0679 23.1349 -240.374 -7.25961 129.772 -16.1222 -110.459 PRESSAVG: 4590800 51.4881 -22.6817 42.8937 -22.6816 3.25209 39.99 42.8937 39.9899 -65.3382 GPRESSAVG: 4590800 50.5097 -23.5793 43.904 -20.937 3.25831 42.1559 42.8682 37.6567 -64.5318 TIMING: 4590800 CPU: 13799.9, 0.00309721/step Wall: 13799.9, 0.00309721/step, 0.352049 hours remaining, 207.519531 MB of memory in use. ENERGY: 4590800 747.3621 2136.6725 1949.1913 127.1882 -206108.1728 17627.7635 0.0000 0.0000 34014.5020 -149505.4932 297.0571 -183519.9952 -149417.8602 297.7643 -107.2226 -77.2918 557663.3703 -3.5327 -3.5879 PRESSURE: 4591000 -343.393 -3.5566 33.9073 -3.55495 -226.266 -7.86302 33.9072 -7.86187 -135.133 GPRESSURE: 4591000 -305.518 -89.9486 24.6945 73.3095 -172.05 39.5513 39.0883 -58.7748 -117.282 PRESSAVG: 4591000 -39.5954 -32.6801 -6.9522 -32.68 -23.1459 12.292 -6.95221 12.2921 41.9713 GPRESSAVG: 4591000 -39.505 -34.8348 -7.01184 -32.8742 -20.9886 10.5825 -6.38879 14.1293 39.9401 TIMING: 4591000 CPU: 13800.5, 0.00309347/step Wall: 13800.5, 0.00309347/step, 0.351453 hours remaining, 207.519531 MB of memory in use. ENERGY: 4591000 755.3041 2072.2598 1930.0034 108.3710 -206190.2978 17580.8998 0.0000 0.0000 34275.6051 -149467.8546 299.3374 -183743.4597 -149375.7237 297.4279 -234.9304 -198.2831 557603.2531 -6.9233 -6.8512 PRESSURE: 4591200 -151.431 9.47656 182.223 9.47804 -120.474 -33.9876 182.221 -33.9863 -282.727 GPRESSURE: 4591200 -67.0877 20.1022 138.086 41.3081 -104.06 23.3873 253.551 -73.1435 -296.972 PRESSAVG: 4591200 -2.52855 30.5145 49.4428 30.5145 38.3928 -14.5658 49.4426 -14.5659 -48.1911 GPRESSAVG: 4591200 -3.86909 31.7424 51.5021 31.191 36.9125 -14.4856 48.5729 -15.6305 -45.3371 TIMING: 4591200 CPU: 13801.1, 0.0030709/step Wall: 13801.1, 0.0030709/step, 0.348718 hours remaining, 207.519531 MB of memory in use. ENERGY: 4591200 734.1191 2087.0760 1949.3271 113.6283 -205826.3281 17526.0037 0.0000 0.0000 33861.7116 -149554.4623 295.7227 -183416.1739 -149457.1149 297.9535 -184.8773 -156.0401 559225.6448 -4.1090 -4.0979 PRESSURE: 4591400 -275.066 74.1971 -204.124 74.1963 -178.363 112.266 -204.123 112.265 -331.768 GPRESSURE: 4591400 -275.856 124.558 -238.665 75.2184 -183.23 209.85 -132.198 82.7569 -236.447 PRESSAVG: 4591400 -17.0523 52.3372 19.798 52.3371 118.48 20.6952 19.798 20.6951 -80.07 GPRESSAVG: 4591400 -15.6915 53.6082 20.3136 50.3927 118.839 22.1899 19.6933 21.4993 -81.0182 TIMING: 4591400 CPU: 13801.7, 0.00305502/step Wall: 13801.7, 0.00305502/step, 0.346745 hours remaining, 207.519531 MB of memory in use. ENERGY: 4591400 722.0746 2109.3082 1953.4485 109.8764 -206178.9986 17532.2458 0.0000 0.0000 34132.0878 -149619.9573 298.0840 -183752.0450 -149528.2551 297.6987 -261.7322 -231.8443 556950.2799 7.1193 7.3764 PRESSURE: 4591600 244.278 -92.9757 -62.4369 -92.9754 -3.90253 105.448 -62.4352 105.449 190.249 GPRESSURE: 4591600 285.172 -14.1154 -56.7082 -52.8165 51.417 100.124 -6.14815 53.503 191.526 PRESSAVG: 4591600 -52.6683 -8.5979 -2.93171 -8.59793 -21.6301 38.0423 -2.93167 38.0423 38.4052 GPRESSAVG: 4591600 -54.6222 -7.65083 -2.03056 -7.36799 -20.9698 34.9888 -4.30134 38.7327 39.429 TIMING: 4591600 CPU: 13802.3, 0.0030613/step Wall: 13802.3, 0.0030613/step, 0.347287 hours remaining, 207.519531 MB of memory in use. ENERGY: 4591600 731.1500 2126.8479 1936.2506 107.9891 -206524.2656 17980.1805 0.0000 0.0000 34088.2448 -149553.6026 297.7011 -183641.8474 -149460.1204 298.4791 143.5417 176.0383 556214.4621 -11.9644 -12.0543 PRESSURE: 4591800 -112.569 -123.623 -76.0548 -123.623 -18.4454 -69.3556 -76.0563 -69.3557 -390.326 GPRESSURE: 4591800 -111.643 -162.169 -88.0672 -125.58 21.7853 -67.2518 -130.97 -76.6107 -328.866 PRESSAVG: 4591800 13.3859 8.12235 1.15705 8.12233 5.88226 35.6703 1.15703 35.6702 -25.1314 GPRESSAVG: 4591800 13.4732 7.1854 1.28061 7.92168 5.3627 39.2092 1.58044 34.1272 -24.9702 TIMING: 4591800 CPU: 13802.9, 0.00303591/step Wall: 13802.9, 0.00303591/step, 0.344238 hours remaining, 207.519531 MB of memory in use. ENERGY: 4591800 758.0370 2062.4302 1937.6018 113.2159 -206135.8002 17639.8654 0.0000 0.0000 34072.7922 -149551.8578 297.5662 -183624.6499 -149457.2603 298.1766 -173.7804 -139.5747 556960.9453 -1.9544 -2.0448 PRESSURE: 4592000 86.8597 -71.0905 0.545532 -71.0915 -62.317 -91.1745 0.545128 -91.175 -222.649 GPRESSURE: 4592000 141.505 -69.6671 -49.3657 -24.8187 -24.1697 23.9564 56.8725 -5.08402 -201.925 PRESSAVG: 4592000 40.1596 -12.1284 -39.5995 -12.1284 24.6261 33.4278 -39.5995 33.428 -59.1076 GPRESSAVG: 4592000 40.3328 -14.7543 -40.9078 -12.0334 25.0791 33.0832 -37.5396 35.1833 -59.7403 TIMING: 4592000 CPU: 13803.5, 0.00305845/step Wall: 13803.5, 0.00305845/step, 0.346624 hours remaining, 207.519531 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: 4592000 731.5811 2078.2311 1937.9056 121.2813 -206375.0175 17744.9730 0.0000 0.0000 34255.2184 -149505.8270 299.1593 -183761.0455 -149403.1129 298.8355 -66.0354 -28.1964 557302.5379 1.8927 1.8905 PRESSURE: 4592200 124.935 -48.0729 161.558 -48.0707 159.571 154.808 161.558 154.806 -260.775 GPRESSURE: 4592200 141.825 -35.0242 114.074 -63.4312 214.82 152.676 183.763 96.2769 -232.129 PRESSAVG: 4592200 79.5891 -22.7006 -12.9868 -22.7006 59.4633 1.74137 -12.9868 1.7414 -127.458 GPRESSAVG: 4592200 79.8115 -20.6564 -14.8338 -22.5767 58.8973 0.636231 -13.6746 0.695201 -126.967 TIMING: 4592200 CPU: 13804.1, 0.00304003/step Wall: 13804.1, 0.00304003/step, 0.344367 hours remaining, 207.519531 MB of memory in use. ENERGY: 4592200 730.2133 2068.7620 1965.8320 117.1717 -206283.9595 17821.7643 0.0000 0.0000 34052.8732 -149527.3429 297.3922 -183580.2161 -149435.2006 297.8490 7.9103 41.5052 558186.3019 3.8649 3.9140 LDB: ============= START OF LOAD BALANCING ============== 13807.6 LDB: ============== END OF LOAD BALANCING =============== 13807.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13807.6 LDB: ============= START OF LOAD BALANCING ============== 13807.9 LDB: Largest compute 4820 load 0.029345 is 24.8% of average load 0.118102 LDB: Average compute 0.001748 is 1.5% of average load 0.118102 LDB: TIME 13807.9 LOAD: AVG 0.118102 MAX 0.215827 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.922 MB LDB: TIME 13807.9 LOAD: AVG 0.118102 MAX 0.215827 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.93 MB LDB: TIME 13807.9 LOAD: AVG 0.118102 MAX 0.215827 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.93 MB LDB: ============== END OF LOAD BALANCING =============== 13807.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13807.9 PRESSURE: 4592400 -346.942 -72.8832 -4.27511 -72.8825 -268.212 -13.1005 -4.27472 -13.0995 -265.723 GPRESSURE: 4592400 -270.725 -20.5456 15.5786 -135.472 -284.042 -49.8103 -73.1604 -11.8539 -217.667 PRESSAVG: 4592400 -13.9098 -55.1739 19.7289 -55.174 13.5376 35.5765 19.7289 35.5766 -53.7009 GPRESSAVG: 4592400 -14.2943 -53.1281 19.0118 -55.5269 15.1808 38.1351 19.729 35.6353 -54.5892 TIMING: 4592400 CPU: 13804.8, 0.00308895/step Wall: 13804.8, 0.00308895/step, 0.349738 hours remaining, 207.156250 MB of memory in use. ENERGY: 4592400 690.1632 2038.0886 1942.5976 106.5170 -205754.2969 17321.5756 0.0000 0.0000 34147.6904 -149507.6645 298.2203 -183655.3549 -149410.8307 298.1064 -293.6256 -257.4779 557923.1888 -18.0244 -17.9009 PRESSURE: 4592600 -183.066 -145.743 -48.5183 -145.745 -60.1205 20.9443 -48.5182 20.9462 -231.709 GPRESSURE: 4592600 -130.155 -139.802 -46.0621 -120.365 -52.9648 -48.0718 -41.5821 59.4922 -195.878 PRESSAVG: 4592600 -13.2583 -4.25753 -33.4793 -4.25757 -13.1756 9.0308 -33.4793 9.03086 -10.3647 GPRESSAVG: 4592600 -11.9333 -6.41074 -29.7756 -4.21375 -15.2475 7.47273 -35.9754 9.6532 -10.0646 TIMING: 4592600 CPU: 13805.4, 0.00305009/step Wall: 13805.4, 0.00305009/step, 0.345168 hours remaining, 207.359375 MB of memory in use. ENERGY: 4592600 757.8151 2113.4797 1909.6288 107.8474 -206317.1782 17601.8170 0.0000 0.0000 34477.7649 -149348.8254 301.1029 -183826.5903 -149254.8270 299.5704 -158.2986 -126.3326 557581.9563 -12.2662 -12.4151 PRESSURE: 4592800 -54.9257 -102.103 82.3264 -102.104 62.1538 -34.3529 82.3263 -34.3534 106.947 GPRESSURE: 4592800 -38.7779 -54.0319 119.134 -143.066 102.973 -48.9871 105.549 -118.423 152.529 PRESSAVG: 4592800 -2.45867 -27.6454 -14.618 -27.6454 70.7096 -27.4206 -14.618 -27.4206 -60.8388 GPRESSAVG: 4592800 -4.12604 -27.4777 -16.2618 -28.7362 73.0871 -27.2803 -13.08 -26.7814 -61.2224 TIMING: 4592800 CPU: 13806, 0.00309161/step Wall: 13806, 0.00309161/step, 0.349695 hours remaining, 207.359375 MB of memory in use. ENERGY: 4592800 727.5574 2114.4752 1925.3130 110.3705 -206511.9710 17850.8255 0.0000 0.0000 34311.1736 -149472.2558 299.6480 -183783.4294 -149379.5418 299.0589 38.0585 72.2412 556758.1349 2.4707 2.5796 PRESSURE: 4593000 -199.07 -89.8486 107.19 -89.849 179.139 -187.882 107.189 -187.883 -152.918 GPRESSURE: 4593000 -219.835 -21.2539 57.9259 -88.1732 186.357 -138.168 81.5396 -162.13 -39.3419 PRESSAVG: 4593000 -2.27985 -18.0329 -33.6881 -18.0328 -11.0854 -18.9814 -33.6881 -18.9813 13.156 GPRESSAVG: 4593000 -2.42158 -16.025 -35.5847 -18.7567 -12.3468 -19.0395 -33.6632 -20.0006 14.3008 TIMING: 4593000 CPU: 13806.6, 0.00305394/step Wall: 13806.6, 0.00305394/step, 0.345264 hours remaining, 207.359375 MB of memory in use. ENERGY: 4593000 722.1807 2104.5804 1943.7746 94.9906 -206158.7306 17806.2029 0.0000 0.0000 34178.8389 -149308.1625 298.4923 -183487.0015 -149222.0936 298.7015 -57.6165 -24.2731 558668.8132 -0.0697 -0.1558 PRESSURE: 4593200 26.117 -113.348 -81.7475 -113.347 -234.36 -94.5697 -81.7468 -94.5704 192.644 GPRESSURE: 4593200 59.2573 -34.0906 -134.748 -64.1277 -199.885 -31.2794 -95.5155 -177.522 237.223 PRESSAVG: 4593200 14.0673 55.7453 10.234 55.7453 -15.2231 -20.6393 10.234 -20.6395 2.96395 GPRESSAVG: 4593200 14.9839 53.8173 11.8682 55.5878 -15.4906 -23.6169 10.5932 -18.8693 2.2269 TIMING: 4593200 CPU: 13807.2, 0.00307503/step Wall: 13807.2, 0.00307503/step, 0.347479 hours remaining, 207.359375 MB of memory in use. ENERGY: 4593200 734.0437 2049.5108 1956.5972 110.1885 -206161.5558 17868.0974 0.0000 0.0000 34124.1501 -149318.9682 298.0147 -183443.1183 -149220.0568 299.3386 -5.1999 32.1984 558684.4279 0.6027 0.5734 PRESSURE: 4593400 -197.176 25.9283 -29.9437 25.9266 25.5671 26.8641 -29.9438 26.8624 161.883 GPRESSURE: 4593400 -165.39 64.0822 -55.9399 63.4563 77.8444 -39.4344 -18.6874 104.965 171.872 PRESSAVG: 4593400 62.6013 -10.0873 15.1698 -10.0873 -11.1144 -17.5539 15.1699 -17.5539 -38.8221 GPRESSAVG: 4593400 62.2047 -11.3695 14.7332 -8.09992 -11.3074 -15.2195 13.3542 -19.3776 -38.1701 TIMING: 4593400 CPU: 13807.8, 0.00305613/step Wall: 13807.8, 0.00305613/step, 0.345173 hours remaining, 207.359375 MB of memory in use. ENERGY: 4593400 736.5454 2074.8842 1934.0173 112.2481 -206304.0614 17817.9071 0.0000 0.0000 34343.7507 -149284.7086 299.9325 -183628.4593 -149190.7872 298.8662 -3.2421 28.1088 557921.4199 4.2216 4.2424 PRESSURE: 4593600 -40.845 105.274 150.062 105.275 -116.41 -84.5272 150.061 -84.5277 -109.004 GPRESSURE: 4593600 6.85986 123.696 132.097 155.537 -81.347 -55.8028 223.304 -24.9247 -83.6103 PRESSAVG: 4593600 39.7614 -49.4039 -7.8296 -49.4039 6.27437 13.9681 -7.82954 13.9682 -51.9088 GPRESSAVG: 4593600 39.3729 -47.7208 -7.01372 -48.649 6.91164 15.4578 -5.05186 12.3394 -52.3093 TIMING: 4593600 CPU: 13808.4, 0.00304068/step Wall: 13808.4, 0.00304068/step, 0.343259 hours remaining, 207.359375 MB of memory in use. ENERGY: 4593600 750.6549 2110.6615 1957.1126 115.3488 -206277.3702 17698.5406 0.0000 0.0000 34387.0956 -149257.9562 300.3111 -183645.0518 -149163.1462 298.8905 -88.7529 -52.6991 557698.3456 -1.9577 -2.0082 PRESSURE: 4593800 -88.0743 -26.5728 -18.2946 -26.5723 40.2772 119.578 -18.2949 119.58 -3.07113 GPRESSURE: 4593800 -77.6004 -21.083 -31.4207 37.9036 61.3992 146.725 -57.0433 86.2363 52.1687 PRESSAVG: 4593800 -26.16 -29.7643 26.5328 -29.7643 21.396 3.65285 26.5328 3.65301 -1.04929 GPRESSAVG: 4593800 -26.2827 -30.075 23.1366 -28.7155 22.1439 1.36926 26.9245 6.25377 -1.92626 TIMING: 4593800 CPU: 13809, 0.00304443/step Wall: 13809, 0.00304443/step, 0.343513 hours remaining, 207.359375 MB of memory in use. ENERGY: 4593800 756.1205 2075.0244 1957.3225 108.5397 -206402.2564 17922.5867 0.0000 0.0000 34487.0097 -149095.6528 301.1836 -183582.6625 -148999.0614 298.9712 -16.9561 11.9892 558699.0032 -1.9378 -2.0217 PRESSURE: 4594000 -170.879 -188.163 72.9554 -188.162 -315.254 -173.52 72.9557 -173.52 -126.358 GPRESSURE: 4594000 -193.389 -131.693 148.848 -159.708 -275.546 -117.095 86.788 -183.172 -43.9548 PRESSAVG: 4594000 -33.0319 -63.9443 83.0471 -63.9442 44.3683 60.2834 83.0472 60.2834 -0.111001 GPRESSAVG: 4594000 -32.7886 -63.1987 84.7844 -66.1826 44.2188 61.3118 83.7068 58.8297 0.343752 TIMING: 4594000 CPU: 13809.7, 0.0030463/step Wall: 13809.7, 0.0030463/step, 0.343555 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: 4594000 757.2692 2118.2035 1933.4353 110.9121 -205830.1685 17555.6882 0.0000 0.0000 34419.4761 -148935.1841 300.5938 -183354.6602 -148841.0914 299.7049 -204.1637 -170.9633 559094.7745 3.7418 3.9247 PRESSURE: 4594200 -8.1207 -57.8401 51.1853 -57.8404 -121.559 -31.9603 51.1855 -31.9613 -134.961 GPRESSURE: 4594200 11.9929 -52.3366 152.57 -94.1491 -130.539 73.5748 63.5319 -89.4507 -51.7107 PRESSAVG: 4594200 -7.75927 -19.0613 31.9496 -19.0612 7.26305 -22.4013 31.9496 -22.4013 13.9587 GPRESSAVG: 4594200 -7.0782 -18.8701 33.5334 -19.0932 6.11236 -23.8543 31.2931 -23.7571 14.1903 TIMING: 4594200 CPU: 13810.3, 0.00306646/step Wall: 13810.3, 0.00306646/step, 0.345658 hours remaining, 207.359375 MB of memory in use. ENERGY: 4594200 742.1498 2087.8002 1939.9310 117.6279 -206140.4246 17620.4381 0.0000 0.0000 34516.8409 -149115.6366 301.4442 -183632.4776 -149011.7105 300.3203 -88.2136 -56.7521 558722.7619 4.4875 4.4082 PRESSURE: 4594400 -134.851 -153.516 88.204 -153.517 222.347 58.9049 88.2059 58.9027 40.3859 GPRESSURE: 4594400 -95.2705 -156.347 180.912 -165.825 278.516 92.9862 -43.6573 32.3428 56.398 PRESSAVG: 4594400 -82.5266 -44.4519 20.1088 -44.452 67.4498 -5.17758 20.1089 -5.17761 9.08429 GPRESSAVG: 4594400 -83.0971 -45.357 19.04 -45.6196 68.1912 -5.18333 19.1981 -3.27772 8.36639 TIMING: 4594400 CPU: 13810.9, 0.00307143/step Wall: 13810.9, 0.00307143/step, 0.346048 hours remaining, 207.359375 MB of memory in use. ENERGY: 4594400 773.5291 2105.3160 1956.6298 117.5234 -206022.1726 17767.6384 0.0000 0.0000 34231.2837 -149070.2521 298.9503 -183301.5358 -148978.1794 299.5687 42.6272 79.8811 557622.8037 -1.9975 -2.1798 PRESSURE: 4594600 -11.8248 -19.2779 -124.188 -19.2779 -147.181 19.7943 -124.186 19.797 81.9901 GPRESSURE: 4594600 23.1398 -38.6908 -191.237 -31.1122 -112.065 31.6804 -62.3099 -9.81907 108.733 PRESSAVG: 4594600 -14.6099 -1.55061 -55.8461 -1.55057 36.9649 6.61121 -55.8462 6.6112 12.5072 GPRESSAVG: 4594600 -14.6726 -1.15656 -56.1754 -0.865804 36.2786 7.3591 -55.7732 7.72589 12.8641 TIMING: 4594600 CPU: 13811.5, 0.00304377/step Wall: 13811.5, 0.00304377/step, 0.342763 hours remaining, 207.359375 MB of memory in use. ENERGY: 4594600 777.7445 2047.9034 1935.0402 114.1766 -206013.1229 17802.4313 0.0000 0.0000 34465.2053 -148870.6216 300.9932 -183335.8269 -148774.0764 299.9130 -25.6718 6.6025 557401.8412 11.6207 11.4900 PRESSURE: 4594800 100.769 -67.1855 -64.977 -67.1853 186.163 10.214 -64.9768 10.2131 342.303 GPRESSURE: 4594800 197.59 -8.77648 -28.452 -52.2119 187.607 71.3333 -82.7149 -27.4943 357.265 PRESSAVG: 4594800 -86.0455 13.4785 20.0845 13.4785 -47.4661 20.602 20.0846 20.602 84.1611 GPRESSAVG: 4594800 -87.1161 14.4986 22.0623 13.3141 -45.5549 20.1256 20.0581 19.2943 83.0735 TIMING: 4594800 CPU: 13812.1, 0.00303511/step Wall: 13812.1, 0.00303511/step, 0.341618 hours remaining, 207.359375 MB of memory in use. ENERGY: 4594800 779.9877 2141.2257 1946.4171 114.0766 -206380.2917 18188.8731 0.0000 0.0000 34347.3738 -148862.3378 299.9642 -183209.7116 -148771.1211 300.7182 209.7450 247.4873 557112.4821 -16.4502 -16.5325 PRESSURE: 4595000 -406.315 -80.3234 23.4011 -80.3242 -112.224 104.532 23.3994 104.532 -260.643 GPRESSURE: 4595000 -366.435 -147.137 -55.0018 -61.4569 -63.961 58.7667 113.104 50.2683 -247.825 PRESSAVG: 4595000 -15.0347 -16.3314 2.24615 -16.3315 -44.4869 -51.3325 2.24604 -51.3325 49.9823 GPRESSAVG: 4595000 -13.123 -17.1178 -1.35374 -15.3797 -46.613 -49.9638 3.73592 -49.8908 50.0718 TIMING: 4595000 CPU: 13812.7, 0.00303404/step Wall: 13812.7, 0.00303404/step, 0.341329 hours remaining, 207.359375 MB of memory in use. ENERGY: 4595000 755.7251 2111.2361 1964.7403 124.9975 -205588.8570 17351.0465 0.0000 0.0000 34342.4855 -148938.6259 299.9215 -183281.1114 -148835.7374 300.1758 -259.7274 -226.0737 559232.6603 -3.1798 -3.2214 PRESSURE: 4595200 -145.098 155.998 -66.873 155.999 -131.384 -31.4765 -66.8732 -31.4779 222.896 GPRESSURE: 4595200 -125.937 85.8275 -81.398 177.307 -54.1513 -62.3868 23.8214 -22.2292 226.104 PRESSAVG: 4595200 -27.9277 15.7294 27.5665 15.7293 -12.342 30.0916 27.5666 30.0917 30.5909 GPRESSAVG: 4595200 -28.3008 14.3842 26.528 16.8998 -13.1607 28.4388 28.4221 28.1924 31.4806 TIMING: 4595200 CPU: 13813.3, 0.00305034/step Wall: 13813.3, 0.00305034/step, 0.342993 hours remaining, 207.359375 MB of memory in use. ENERGY: 4595200 718.0476 2081.6189 1946.8424 106.4392 -205998.6935 17705.4108 0.0000 0.0000 34408.1971 -149032.1375 300.4953 -183440.3346 -148935.7119 299.9272 -17.8620 15.3387 557405.9950 -3.2263 -3.3269 PRESSURE: 4595400 183.36 32.4793 -119.29 32.479 192.263 133.065 -119.289 133.064 6.39999 GPRESSURE: 4595400 207.211 -29.0951 -59.9221 5.72047 142.975 227.133 -112.597 75.4167 113.123 PRESSAVG: 4595400 -2.34043 12.4638 -18.5393 12.4638 21.3542 1.14819 -18.5392 1.14819 -13.8131 GPRESSAVG: 4595400 -3.44738 14.1254 -16.173 10.0126 22.683 3.42937 -18.2054 0.952668 -14.0455 TIMING: 4595400 CPU: 13813.9, 0.00304087/step Wall: 13813.9, 0.00304087/step, 0.34176 hours remaining, 207.359375 MB of memory in use. ENERGY: 4595400 728.0245 2110.2521 1980.8139 108.3440 -206416.9883 18010.9871 0.0000 0.0000 34361.3596 -149117.2072 300.0863 -183478.5667 -149024.2146 299.6826 127.3410 154.4361 556976.8116 1.7336 1.7301 PRESSURE: 4595600 141.352 -23.4947 12.5235 -23.4943 336.365 191.527 12.5223 191.527 101.541 GPRESSURE: 4595600 162.678 -76.9912 -90.0193 97.5743 343.351 69.2141 -36.432 312.792 179.973 PRESSAVG: 4595600 6.66046 15.051 -1.66289 15.051 23.1213 43.1716 -1.66289 43.1716 -52.1448 GPRESSAVG: 4595600 6.70179 14.9962 -0.274272 16.2517 23.2678 41.5479 -3.86532 43.6637 -52.4131 TIMING: 4595600 CPU: 13814.5, 0.00303566/step Wall: 13814.5, 0.00303566/step, 0.341006 hours remaining, 207.359375 MB of memory in use. ENERGY: 4595600 704.1064 2099.2373 1947.5927 119.0421 -206497.6463 18078.4675 0.0000 0.0000 34533.1835 -149016.0167 301.5869 -183549.2002 -148916.8983 299.6302 193.0856 228.6675 557549.8701 -7.4543 -7.4812 PRESSURE: 4595800 186.348 87.2253 110.827 87.2244 -100.662 102.764 110.827 102.763 -154.149 GPRESSURE: 4595800 169.689 34.8498 50.7499 63.8547 -52.2005 133.788 146.482 193.198 -106.284 PRESSAVG: 4595800 -8.16793 -52.9913 -7.53761 -52.9912 21.3286 -30.8115 -7.53756 -30.8115 -44.516 GPRESSAVG: 4595800 -7.93548 -55.1272 -10.1748 -51.7515 20.3993 -31.3097 -7.07783 -30.5981 -44.9221 TIMING: 4595800 CPU: 13815.1, 0.00304755/step Wall: 13815.1, 0.00304755/step, 0.342173 hours remaining, 207.359375 MB of memory in use. ENERGY: 4595800 693.3290 2129.6202 1961.8844 111.1474 -206022.8167 17694.8138 0.0000 0.0000 34588.4762 -148843.5457 302.0698 -183432.0219 -148748.1186 300.7599 -22.8210 3.7349 558618.3815 -10.4518 -10.8194 PRESSURE: 4596000 -85.5309 -212.537 11.6202 -212.538 120.766 -80.6659 11.6199 -80.6661 23.2466 GPRESSURE: 4596000 -61.2591 -197.98 -1.23699 -138.424 130.764 30.9569 -13.9576 -138.733 87.6258 PRESSAVG: 4596000 15.3869 17.4505 2.5041 17.4505 -11.1388 18.6122 2.50413 18.6121 -33.1116 GPRESSAVG: 4596000 14.7208 19.4947 2.89684 14.2723 -10.0492 18.5989 2.1754 19.6588 -33.6203 TIMING: 4596000 CPU: 13815.8, 0.0030556/step Wall: 13815.8, 0.0030556/step, 0.342906 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: 4596000 729.9402 2150.3738 1947.8985 98.0383 -206100.3963 17736.9693 0.0000 0.0000 34399.0606 -149038.1157 300.4156 -183437.1762 -148936.9686 300.3444 19.4938 52.3767 557621.8184 -9.6212 -9.6495 PRESSURE: 4596200 -5.35715 -103.524 6.11198 -103.524 -185.412 -55.1592 6.11084 -55.1583 -151.346 GPRESSURE: 4596200 75.8106 -113.193 12.2998 -24.3527 -163.638 -132.906 39.3445 4.61993 -149.854 PRESSAVG: 4596200 49.4212 29.5493 27.6472 29.5493 -11.2784 -18.3102 27.6471 -18.3102 -13.4753 GPRESSAVG: 4596200 50.214 26.7156 29.9219 32.4426 -12.4065 -18.9852 25.8756 -17.0451 -13.0395 TIMING: 4596200 CPU: 13816.4, 0.00307929/step Wall: 13816.4, 0.00307929/step, 0.345394 hours remaining, 207.359375 MB of memory in use. ENERGY: 4596200 772.1754 2080.1277 1950.1250 103.7105 -205557.7899 17459.5402 0.0000 0.0000 34228.2244 -148963.8868 298.9236 -183192.1112 -148871.4186 300.0078 -114.0385 -79.2270 557629.8699 8.2225 8.2560 LDB: ============= START OF LOAD BALANCING ============== 13819.8 LDB: ============== END OF LOAD BALANCING =============== 13819.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13819.8 LDB: ============= START OF LOAD BALANCING ============== 13820.1 LDB: Largest compute 4820 load 0.029678 is 25.1% of average load 0.118086 LDB: Average compute 0.001742 is 1.5% of average load 0.118086 LDB: TIME 13820.1 LOAD: AVG 0.118086 MAX 0.220622 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.93 MB LDB: TIME 13820.1 LOAD: AVG 0.118086 MAX 0.220622 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.93 MB LDB: TIME 13820.1 LOAD: AVG 0.118086 MAX 0.220622 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.93 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13820.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13820.1 PRESSURE: 4596400 17.7856 -37.6026 19.6212 -37.6036 -139.712 61.379 19.6204 61.3796 -23.0975 GPRESSURE: 4596400 43.7963 8.40142 -19.7175 -24.1089 -110.394 143.251 85.2933 -7.99835 9.51974 PRESSAVG: 4596400 22.0218 -1.77999 -15.8285 -1.78002 -59.529 58.4613 -15.8286 58.4613 50.2066 GPRESSAVG: 4596400 20.9652 0.834733 -15.8836 -1.67758 -58.5606 60.596 -15.6758 55.9113 50.3595 TIMING: 4596400 CPU: 13817, 0.00314803/step Wall: 13817, 0.00314803/step, 0.352929 hours remaining, 209.328125 MB of memory in use. ENERGY: 4596400 748.9581 2041.4812 1965.5610 110.4707 -205848.1409 17658.1182 0.0000 0.0000 34306.2054 -149017.3462 299.6046 -183323.5516 -148914.9406 299.7467 -48.3412 -19.0260 557278.6471 4.2331 4.2547 PRESSURE: 4596600 -134.334 -76.21 -28.1187 -76.2107 -211.331 -55.3193 -28.1188 -55.3205 -160.155 GPRESSURE: 4596600 -81.3909 -143.713 54.7051 -73.5323 -179.26 -135.838 -6.96027 -68.637 -157.166 PRESSAVG: 4596600 -5.69509 -11.0284 -5.88148 -11.0283 -21.3902 25.8211 -5.88146 25.821 -2.72057 GPRESSAVG: 4596600 -6.07763 -12.5647 -6.99649 -10.7604 -21.1948 23.7603 -4.17523 26.1448 -2.66924 TIMING: 4596600 CPU: 13817.6, 0.00306274/step Wall: 13817.6, 0.00306274/step, 0.343198 hours remaining, 209.328125 MB of memory in use. ENERGY: 4596600 737.0163 2126.7636 1950.2331 113.5666 -205386.4245 17279.5829 0.0000 0.0000 34370.3672 -148808.8948 300.1650 -183179.2620 -148711.9136 299.4801 -168.6069 -139.2722 558736.0972 -9.9353 -9.9806 PRESSURE: 4596800 -82.7221 16.6703 -45.437 16.6702 -55.5555 -83.2618 -45.4357 -83.2623 32.6933 GPRESSURE: 4596800 -7.71181 41.3989 -133.722 34.1727 -48.9308 -89.6427 -9.50336 -22.5612 47.926 PRESSAVG: 4596800 16.7947 15.1669 -38.9059 15.1669 26.8232 0.429037 -38.9059 0.428903 -28.3536 GPRESSAVG: 4596800 17.9118 14.6036 -41.3601 15.2134 26.697 1.3303 -37.6583 0.27641 -29.5549 TIMING: 4596800 CPU: 13818.2, 0.00306682/step Wall: 13818.2, 0.00306682/step, 0.343483 hours remaining, 209.328125 MB of memory in use. ENERGY: 4596800 756.2869 2098.3002 1956.7592 120.3243 -205637.1254 17671.7937 0.0000 0.0000 34199.8444 -148833.8167 298.6757 -183033.6610 -148747.7510 299.8126 -35.1947 -2.9055 558691.1012 5.0881 5.0180 PRESSURE: 4597000 -93.5972 129.577 81.8657 129.576 -29.5338 -61.8916 81.8647 -61.8922 -256.227 GPRESSURE: 4597000 -41.9249 46.5412 52.5186 153.568 -3.40035 -166.001 98.0589 -106.438 -241.884 PRESSAVG: 4597000 34.4831 52.8478 -58.3359 52.8477 34.3886 29.5571 -58.3359 29.5572 -62.6597 GPRESSAVG: 4597000 34.4119 50.9455 -57.2748 51.9977 33.8858 27.6136 -59.6811 30.8671 -62.0003 TIMING: 4597000 CPU: 13818.8, 0.00308409/step Wall: 13818.8, 0.00308409/step, 0.345247 hours remaining, 209.328125 MB of memory in use. ENERGY: 4597000 711.0592 2110.8346 1939.1704 122.0440 -205596.8050 17512.8456 0.0000 0.0000 34402.3150 -148798.5363 300.4440 -183200.8513 -148702.0964 300.4641 -126.4526 -95.7366 558483.5469 2.0706 2.0992 PRESSURE: 4597200 -113.508 -95.9071 93.3558 -95.9081 -79.8376 -22.5663 93.3555 -22.5641 -255.744 GPRESSURE: 4597200 -82.2483 -122.597 128.391 -59.4923 -55.6645 -88.9971 141.04 5.23015 -228.411 PRESSAVG: 4597200 -37.3439 10.743 -79.8961 10.743 -9.35749 41.2778 -79.8962 41.2778 64.7203 GPRESSAVG: 4597200 -37.8241 14.387 -79.8455 10.5398 -8.602 43.0432 -79.5671 40.4406 64.9064 TIMING: 4597200 CPU: 13819.5, 0.00308501/step Wall: 13819.5, 0.00308501/step, 0.345178 hours remaining, 209.328125 MB of memory in use. ENERGY: 4597200 742.5281 2137.7830 1935.2175 109.5025 -205544.8621 17591.8123 0.0000 0.0000 34368.8508 -148659.1678 300.1517 -183028.0185 -148564.1990 300.9092 -149.6967 -122.1079 558154.6664 6.0063 6.1601 PRESSURE: 4597400 89.0518 39.4677 86.0533 39.4683 17.9821 -119.084 86.0529 -119.085 71.8872 GPRESSURE: 4597400 172.58 94.1416 27.2482 101.655 -1.96057 -52.4746 46.7873 -210.422 112.594 PRESSAVG: 4597400 -47.0969 6.42294 -44.5629 6.42299 11.7039 20.6932 -44.563 20.6932 15.873 GPRESSAVG: 4597400 -47.6183 5.77895 -44.4869 7.39802 11.4368 22.3685 -46.319 21.1291 16.4771 TIMING: 4597400 CPU: 13820.1, 0.00306454/step Wall: 13820.1, 0.00306454/step, 0.342718 hours remaining, 209.328125 MB of memory in use. ENERGY: 4597400 743.4861 2036.3034 1978.8727 114.1723 -205384.5112 17464.2508 0.0000 0.0000 34390.7254 -148656.7006 300.3428 -183047.4259 -148562.4228 300.1877 59.6404 94.4046 557430.6198 -6.5067 -6.5681 PRESSURE: 4597600 -96.4343 123.208 209.552 123.208 -154.55 96.3535 209.552 96.353 -29.5508 GPRESSURE: 4597600 -61.4781 94.7937 136.582 160.209 -88.2965 79.2792 257.324 127.408 -20.9793 PRESSAVG: 4597600 0.90643 20.1952 37.6908 20.1953 -25.1091 1.73625 37.6909 1.73623 2.55656 GPRESSAVG: 4597600 1.62363 19.2702 35.9184 18.9365 -24.5825 0.914498 40.6266 1.55238 1.30948 TIMING: 4597600 CPU: 13820.7, 0.00305913/step Wall: 13820.7, 0.00305913/step, 0.341943 hours remaining, 209.328125 MB of memory in use. ENERGY: 4597600 760.6562 2056.9176 1929.0704 104.9625 -205630.2527 17710.4379 0.0000 0.0000 34503.3823 -148564.8258 301.3266 -183068.2081 -148467.1122 301.0026 -93.5118 -56.9180 558532.4559 -7.2154 -7.2165 PRESSURE: 4597800 159.501 -76.5677 26.7989 -76.5679 -80.0358 84.0602 26.7979 84.0594 176.438 GPRESSURE: 4597800 176.314 -114.863 -12.4702 -139.367 -6.64891 114.643 50.8789 44.1081 175.772 PRESSAVG: 4597800 18.4807 -5.10648 25.5103 -5.10648 49.6841 -22.2948 25.5102 -22.2947 -42.1619 GPRESSAVG: 4597800 17.8392 -5.28125 27.7399 -4.5526 49.0554 -22.8807 24.0213 -20.4477 -41.057 TIMING: 4597800 CPU: 13821.3, 0.00303576/step Wall: 13821.3, 0.00303576/step, 0.339162 hours remaining, 209.328125 MB of memory in use. ENERGY: 4597800 718.5529 2155.0030 1966.9921 126.1440 -206083.1717 18026.2197 0.0000 0.0000 34279.0372 -148811.2228 299.3674 -183090.2600 -148711.3372 300.9545 85.3009 115.1456 558832.4821 8.6677 8.6125 PRESSURE: 4598000 158.872 -53.1475 -50.1574 -53.1478 -97.6094 0.828658 -50.1566 0.830722 -174.346 GPRESSURE: 4598000 208.095 -39.6873 20.0675 -18.7588 -69.6414 41.2326 -24.1437 -21.8702 -151.984 PRESSAVG: 4598000 10.193 -24.3472 51.0197 -24.3472 -92.2593 2.52633 51.0197 2.52641 23.0237 GPRESSAVG: 4598000 10.7141 -23.0565 51.0651 -25.406 -91.7029 2.14088 50.011 2.25268 22.3418 TIMING: 4598000 CPU: 13821.9, 0.00303105/step Wall: 13821.9, 0.00303105/step, 0.338468 hours remaining, 209.328125 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: 4598000 735.8254 2120.2528 1919.3744 111.3432 -205993.0240 17685.0120 0.0000 0.0000 34433.3573 -148987.8589 300.7151 -183421.2163 -148889.6076 299.9377 -37.6945 -4.5101 558043.8105 -19.6809 -19.5490 PRESSURE: 4598200 -5.00954 -114.014 245.903 -114.015 19.7609 -187.795 245.902 -187.793 116.673 GPRESSURE: 4598200 26.4464 -43.4269 214.322 -72.1413 27.8938 -98.8935 245.292 -176.19 171.142 PRESSAVG: 4598200 19.6466 -28.9356 6.27832 -28.9356 25.0414 -58.4301 6.2784 -58.4301 -41.1691 GPRESSAVG: 4598200 20.3131 -28.3226 5.52355 -30.6238 25.2199 -56.7753 6.87183 -57.8038 -41.7422 TIMING: 4598200 CPU: 13822.5, 0.00305667/step Wall: 13822.5, 0.00305667/step, 0.341159 hours remaining, 209.328125 MB of memory in use. ENERGY: 4598200 690.2746 2038.9254 1959.1525 120.3068 -206183.1829 17829.7791 0.0000 0.0000 34528.9991 -149015.7454 301.5503 -183544.7445 -148915.0355 300.4395 43.8080 75.1608 557825.8965 1.1730 1.2636 PRESSURE: 4598400 -156.248 -183.23 17.287 -183.23 68.3373 -33.1416 17.2878 -33.14 24.6466 GPRESSURE: 4598400 -184.915 -170.782 31.1656 -184.594 154.917 57.5199 6.72917 -20.2772 57.4486 PRESSAVG: 4598400 -29.8123 33.8838 52.3405 33.8838 11.8479 -13.0274 52.3406 -13.0274 4.53893 GPRESSAVG: 4598400 -31.6883 32.8254 53.3455 36.185 12.5174 -14.0994 53.432 -13.9814 4.57613 TIMING: 4598400 CPU: 13823.1, 0.00302964/step Wall: 13823.1, 0.00302964/step, 0.337974 hours remaining, 209.328125 MB of memory in use. ENERGY: 4598400 750.9709 2072.4595 1909.7755 117.0071 -205950.3025 17682.2785 0.0000 0.0000 34290.2420 -149127.5690 299.4652 -183417.8110 -149034.9378 299.5616 -21.0881 9.1502 557127.7265 -4.4752 -4.8649 PRESSURE: 4598600 -117.854 -34.1504 -88.818 -34.1513 62.9451 56.3449 -88.8193 56.3453 202.873 GPRESSURE: 4598600 -67.0122 -18.4161 -251.892 -30.0396 84.4937 3.40304 20.4232 84.4141 235.937 PRESSAVG: 4598600 -17.2334 -40.944 -8.88851 -40.944 62.4446 43.9362 -8.8886 43.9362 -18.5023 GPRESSAVG: 4598600 -15.6996 -43.1941 -8.69572 -42.0331 59.7008 42.2299 -10.4758 46.6483 -17.1091 TIMING: 4598600 CPU: 13823.7, 0.00303536/step Wall: 13823.7, 0.00303536/step, 0.338442 hours remaining, 209.328125 MB of memory in use. ENERGY: 4598600 767.1783 2063.1635 1931.9940 109.1900 -206302.9778 18014.0419 0.0000 0.0000 34130.7253 -149286.6847 298.0721 -183417.4100 -149192.8520 299.1964 49.3215 84.4728 556735.2415 8.9030 8.9640 PRESSURE: 4598800 -132.941 -43.735 -84.5181 -43.7338 -133.842 13.2666 -84.5173 13.2685 -55.5516 GPRESSURE: 4598800 -101.294 -2.44432 -141.522 -142.23 -68.4645 4.02289 -81.2972 4.11235 -54.5994 PRESSAVG: 4598800 26.6321 8.52216 -35.7743 8.52215 18.9454 -13.148 -35.7743 -13.148 -12.0518 GPRESSAVG: 4598800 25.0322 7.87094 -36.5579 11.3064 20.8003 -11.5128 -34.8033 -14.4057 -12.0989 TIMING: 4598800 CPU: 13824.3, 0.00306186/step Wall: 13824.3, 0.00306186/step, 0.341227 hours remaining, 209.328125 MB of memory in use. ENERGY: 4598800 750.3014 2109.5944 1911.7836 111.7333 -206215.4713 17691.2451 0.0000 0.0000 34373.4208 -149267.3927 300.1916 -183640.8135 -149163.5738 299.3109 -107.4448 -74.7860 556692.7134 11.1752 11.2445 PRESSURE: 4599000 -42.9606 -95.4294 -2.25014 -95.429 166.802 170.795 -2.2511 170.794 42.6839 GPRESSURE: 4599000 15.3994 -65.8224 19.6173 -105.147 223.058 182.12 38.376 90.9721 26.5804 PRESSAVG: 4599000 17.7507 3.18662 -11.436 3.18663 -42.4328 17.0576 -11.4359 17.0575 -20.3423 GPRESSAVG: 4599000 18.3332 4.51488 -10.7569 0.0617854 -43.1576 18.0523 -9.98729 14.509 -20.191 TIMING: 4599000 CPU: 13824.9, 0.00307671/step Wall: 13824.9, 0.00307671/step, 0.342711 hours remaining, 209.328125 MB of memory in use. ENERGY: 4599000 723.8677 2093.6846 1912.7876 108.6131 -206412.6532 17822.5824 0.0000 0.0000 34408.1942 -149342.9237 300.4953 -183751.1179 -149244.1843 299.7403 55.5085 88.3459 555973.5142 -15.0081 -15.0051 PRESSURE: 4599200 -219.527 73.3141 82.2136 73.3149 -197.886 -228.552 82.2126 -228.551 -38.3351 GPRESSURE: 4599200 -179.372 79.7738 100.36 106.951 -177.383 -195.219 -66.0577 -171.542 -11.6664 PRESSAVG: 4599200 -54.1687 -21.6561 -3.80619 -21.6561 44.0281 -14.8195 -3.80618 -14.8195 -0.767705 GPRESSAVG: 4599200 -53.5992 -22.1299 -2.29431 -21.6898 43.1173 -15.9027 -7.67653 -12.6982 -0.189625 TIMING: 4599200 CPU: 13825.6, 0.00304402/step Wall: 13825.6, 0.00304402/step, 0.338901 hours remaining, 209.527344 MB of memory in use. ENERGY: 4599200 744.5088 2053.1717 1954.2990 106.9123 -206403.7498 17815.1855 0.0000 0.0000 34281.8066 -149447.8660 299.3915 -183729.6726 -149352.9773 299.1609 -151.9160 -122.8070 556911.3308 -3.6361 -3.5572 PRESSURE: 4599400 181.192 28.4451 -15.8489 28.4447 170.116 -120.016 -15.8499 -120.017 53.8706 GPRESSURE: 4599400 191.241 31.8287 52.5861 6.52399 176.143 -158.185 -68.6184 -119.672 124.59 PRESSAVG: 4599400 -57.4367 13.6361 24.2627 13.636 -5.92508 -50.4488 24.2627 -50.4488 42.7221 GPRESSAVG: 4599400 -57.161 14.6412 21.525 13.056 -5.2775 -51.042 26.4915 -52.0061 41.2366 TIMING: 4599400 CPU: 13826.2, 0.00306024/step Wall: 13826.2, 0.00306024/step, 0.340537 hours remaining, 209.527344 MB of memory in use. ENERGY: 4599400 717.4081 2075.3935 1929.2579 107.1147 -206510.9057 18002.1486 0.0000 0.0000 34095.5913 -149583.9916 297.7653 -183679.5829 -149491.4199 298.5868 135.0594 163.9914 557253.0279 -6.8799 -7.0673 PRESSURE: 4599600 -334.982 15.8314 138.63 15.8312 -72.5913 82.1884 138.631 82.1868 -192.963 GPRESSURE: 4599600 -330.116 -18.4294 94.1392 17.4772 -14.5089 118.29 152.604 68.237 -147.309 PRESSAVG: 4599600 12.6004 6.53881 5.02912 6.53898 -68.9278 -43.8135 5.02914 -43.8136 73.6339 GPRESSAVG: 4599600 12.3381 5.63905 4.91631 7.20633 -70.4711 -44.992 4.18185 -41.3235 75.552 TIMING: 4599600 CPU: 13826.8, 0.00307914/step Wall: 13826.8, 0.00307914/step, 0.342469 hours remaining, 209.527344 MB of memory in use. ENERGY: 4599600 764.6605 2076.9165 1925.9787 113.9544 -206026.4734 17512.4825 0.0000 0.0000 34251.9419 -149380.5390 299.1307 -183632.4809 -149288.1318 298.3581 -200.1789 -163.9778 558328.9458 5.7689 5.8063 PRESSURE: 4599800 90.1041 -29.2358 -63.4133 -29.2359 -176.467 -79.3843 -63.4144 -79.3835 -357.547 GPRESSURE: 4599800 138.494 -118.579 -66.2223 20.1514 -184.759 -64.9927 23.7493 -34.3112 -301.922 PRESSAVG: 4599800 -69.8467 -65.599 -15.1087 -65.599 54.998 -20.2142 -15.1088 -20.2142 14.4072 GPRESSAVG: 4599800 -69.4409 -65.3253 -13.1613 -65.1905 55.8015 -16.7067 -15.8901 -23.3946 13.3895 TIMING: 4599800 CPU: 13827.4, 0.00307572/step Wall: 13827.4, 0.00307572/step, 0.341917 hours remaining, 209.527344 MB of memory in use. ENERGY: 4599800 727.2721 2012.1742 1946.0416 120.8935 -206106.5903 17573.8074 0.0000 0.0000 34397.9222 -149328.4792 300.4056 -183726.4014 -149224.9568 298.2857 -147.9700 -116.0622 558284.7096 -0.1472 -0.0833 PRESSURE: 4600000 -258.224 -103.971 75.3377 -103.972 61.8648 -37.1624 75.3383 -37.1641 74.7408 GPRESSURE: 4600000 -221.392 -135.815 -67.7023 -99.2023 89.5335 76.5544 103.666 38.6883 112.815 PRESSAVG: 4600000 -34.3076 -57.1484 17.2951 -57.1482 31.6194 -37.4223 17.2951 -37.4223 13.2924 GPRESSAVG: 4600000 -34.0033 -57.8672 16.7841 -54.9752 31.625 -38.538 18.4783 -33.9006 13.2156 TIMING: 4600000 CPU: 13828, 0.00306991/step Wall: 13828, 0.00306991/step, 0.341101 hours remaining, 209.527344 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: 4600000 692.0967 2049.2832 1915.6949 112.8230 -205860.4848 17708.8232 0.0000 0.0000 34097.3032 -149284.4606 297.7802 -183381.7637 -149189.3547 298.8901 -40.5393 -6.3479 558703.7945 3.5347 3.6124 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4600000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4600000 WRITING COORDINATES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4600000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4600200 -82.5651 -8.18873 -133.044 -8.18994 -405.55 73.0887 -133.044 73.0918 -213.461 GPRESSURE: 4600200 -76.385 -31.6658 -130.183 -33.2547 -341.319 75.4921 -123.811 53.6069 -186.155 PRESSAVG: 4600200 25.0408 -1.44469 -27.3851 -1.44462 40.5238 -1.75889 -27.3851 -1.75884 -81.4447 GPRESSAVG: 4600200 24.595 -1.20324 -28.1593 -4.35928 40.0497 -2.59381 -28.9875 -4.12176 -80.1549 TIMING: 4600200 CPU: 13828.6, 0.00314741/step Wall: 13828.6, 0.00314742/step, 0.349538 hours remaining, 209.527344 MB of memory in use. ENERGY: 4600200 760.6975 2078.9320 1917.3785 116.2603 -206360.2552 17613.8016 0.0000 0.0000 34462.2430 -149410.9423 300.9673 -183873.1853 -149310.7281 298.4790 -233.8586 -201.2863 558009.0814 -5.2933 -5.1701 LDB: ============= START OF LOAD BALANCING ============== 13832.1 LDB: ============== END OF LOAD BALANCING =============== 13832.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13832.1 LDB: ============= START OF LOAD BALANCING ============== 13832.4 LDB: Largest compute 4820 load 0.027831 is 23.6% of average load 0.118052 LDB: Average compute 0.001740 is 1.5% of average load 0.118052 LDB: TIME 13832.4 LOAD: AVG 0.118052 MAX 0.217059 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.516 MB LDB: TIME 13832.4 LOAD: AVG 0.118052 MAX 0.217059 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.578 MB LDB: TIME 13832.4 LOAD: AVG 0.118052 MAX 0.217059 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.578 MB LDB: ============== END OF LOAD BALANCING =============== 13832.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13832.4 PRESSURE: 4600400 190.005 -122.289 72.5233 -122.288 244.085 115.622 72.5227 115.625 46.4864 GPRESSURE: 4600400 257.351 -132.582 28.1163 -60.1747 267.779 125.369 139.682 48.6856 61.5699 PRESSAVG: 4600400 60.9821 -51.1739 10.6752 -51.1739 3.95225 19.7351 10.6752 19.7352 -4.4212 GPRESSAVG: 4600400 60.5676 -49.2643 10.1175 -53.2201 5.12159 18.0746 12.3408 21.4265 -5.64062 TIMING: 4600400 CPU: 13829.3, 0.00311277/step Wall: 13829.3, 0.00311277/step, 0.345518 hours remaining, 208.800781 MB of memory in use. ENERGY: 4600400 728.2795 2038.6340 1924.9778 103.3555 -206569.2980 18162.9960 0.0000 0.0000 34131.1418 -149479.9133 298.0758 -183611.0551 -149385.6951 298.5655 160.1920 195.5666 557737.7036 20.1710 20.0162 PRESSURE: 4600600 115.375 -21.3183 -80.554 -21.3191 135.291 -162.229 -80.5549 -162.23 -2.90202 GPRESSURE: 4600600 161.769 68.4194 -95.149 -87.8585 203.87 -117.71 -5.23286 -167.081 -26.5843 PRESSAVG: 4600600 10.6583 21.9916 29.8311 21.9916 -7.88447 1.45144 29.831 1.45152 28.4754 GPRESSAVG: 4600600 10.7307 21.0808 29.5764 24.3443 -8.09655 1.90826 29.2156 2.88026 28.4532 TIMING: 4600600 CPU: 13829.9, 0.00305416/step Wall: 13829.9, 0.00305415/step, 0.338842 hours remaining, 209.000000 MB of memory in use. ENERGY: 4600600 724.6263 2084.9174 1947.3104 117.3877 -206604.2847 17988.1900 0.0000 0.0000 34223.3347 -149518.5181 298.8809 -183741.8527 -149419.6746 298.4701 82.5880 113.0182 556247.5482 10.4164 10.3624 PRESSURE: 4600800 -19.8689 -88.7964 14.0113 -88.7967 32.6861 -59.5115 14.0126 -59.5118 94.9741 GPRESSURE: 4600800 57.9787 -165.397 -57.0058 -19.603 67.4407 61.4286 -7.66604 -44.8642 89.5731 PRESSAVG: 4600800 -9.9427 -21.2107 -30.1954 -21.2109 -6.03813 9.92166 -30.1955 9.92161 5.76185 GPRESSAVG: 4600800 -9.55796 -20.5358 -31.085 -21.2876 -6.72031 11.5627 -28.8443 8.72827 5.94818 TIMING: 4600800 CPU: 13830.5, 0.00303996/step Wall: 13830.5, 0.00303996/step, 0.337098 hours remaining, 209.000000 MB of memory in use. ENERGY: 4600800 727.5431 2066.0746 1921.9562 117.0012 -206427.2250 18204.0015 0.0000 0.0000 33944.1836 -149446.4648 296.4430 -183390.6484 -149357.8524 298.2876 35.9304 71.6641 559021.0877 -3.4063 -3.4434 PRESSURE: 4601000 140.915 -19.3016 -170.596 -19.3015 -69.576 141.952 -170.594 141.952 -94.0814 GPRESSURE: 4601000 142.917 -66.0353 -164.957 44.0642 -8.0144 88.8991 -89.0772 122.219 -52.2464 PRESSAVG: 4601000 83.3416 -56.4861 -12.5891 -56.4861 -0.00333192 -12.8992 -12.5891 -12.8992 -43.4894 GPRESSAVG: 4601000 82.6835 -56.3382 -12.8776 -57.8085 0.989314 -15.1037 -11.4479 -14.1346 -44.3996 TIMING: 4601000 CPU: 13831.1, 0.00305553/step Wall: 13831.1, 0.00305553/step, 0.338655 hours remaining, 209.000000 MB of memory in use. ENERGY: 4601000 710.8843 2057.8072 1894.8252 117.1750 -206428.7041 17991.6897 0.0000 0.0000 34122.6773 -149533.6453 298.0018 -183656.3226 -149434.9096 298.3122 -7.5809 27.5521 557284.7594 13.2829 13.0911 PRESSURE: 4601200 25.6567 156.664 -53.9186 156.664 105.467 -116.193 -53.9195 -116.192 33.6365 GPRESSURE: 4601200 68.9416 169.087 -147.622 103.161 97.4557 -140.002 -39.9079 -101.259 87.2395 PRESSAVG: 4601200 -30.2079 12.4475 28.3574 12.4477 31.9103 -81.326 28.3575 -81.3259 -18.0787 GPRESSAVG: 4601200 -28.9084 9.80505 30.0785 12.4863 31.2759 -80.7272 27.2966 -80.0025 -19.2401 TIMING: 4601200 CPU: 13831.7, 0.00305707/step Wall: 13831.7, 0.00305707/step, 0.338655 hours remaining, 209.000000 MB of memory in use. ENERGY: 4601200 749.3964 2102.4079 1917.9196 121.9394 -206787.1312 18119.7606 0.0000 0.0000 34264.1009 -149511.6064 299.2369 -183775.7072 -149413.0877 299.0763 54.9201 84.5456 556131.8971 -5.4587 -5.6242 PRESSURE: 4601400 -143.761 100.873 -119.032 100.874 143.372 36.8597 -119.033 36.8587 -84.7144 GPRESSURE: 4601400 -131.479 138.057 -139.917 50.9929 172.501 -28.8651 -150.655 136.63 -15.2893 PRESSAVG: 4601400 37.2683 14.8225 -4.83541 14.8225 -41.0206 -21.317 -4.83539 -21.3171 -0.290649 GPRESSAVG: 4601400 35.2148 15.2876 -4.68157 15.8849 -41.4084 -19.7606 -3.45675 -23.033 2.41543 TIMING: 4601400 CPU: 13832.3, 0.00306121/step Wall: 13832.3, 0.00306121/step, 0.338944 hours remaining, 209.000000 MB of memory in use. ENERGY: 4601400 737.0559 2097.7245 1936.9063 109.9936 -206572.7828 17858.6677 0.0000 0.0000 34245.5076 -149586.9270 299.0745 -183832.4347 -149493.1265 298.3356 -28.3677 8.5778 555926.1472 -1.3477 -1.2594 PRESSURE: 4601600 207.058 62.8416 -39.9361 62.842 -6.86099 -233.237 -39.9355 -233.237 205.464 GPRESSURE: 4601600 224.677 114.985 -119.637 38.7953 50.3892 -146.688 -72.1279 -298.539 224.618 PRESSAVG: 4601600 15.7121 53.0801 18.5031 53.0801 -34.4415 -15.947 18.5032 -15.9471 29.9459 GPRESSAVG: 4601600 15.4113 54.037 18.9438 51.4335 -32.9995 -15.6908 16.6352 -15.7011 28.9065 TIMING: 4601600 CPU: 13832.9, 0.00306757/step Wall: 13832.9, 0.00306757/step, 0.339477 hours remaining, 209.000000 MB of memory in use. ENERGY: 4601600 730.2534 2063.1727 1933.3531 110.4399 -206608.3266 17981.6062 0.0000 0.0000 34176.6528 -149612.8485 298.4732 -183789.5013 -149511.8192 298.6647 135.2204 166.5611 554601.3091 3.7388 3.7728 PRESSURE: 4601800 -499.129 211.337 -146.169 211.337 -283.91 -168.675 -146.17 -168.675 50.4742 GPRESSURE: 4601800 -447.462 140.095 -135.291 203.805 -285.756 -132.356 -75.7188 -189.346 94.5507 PRESSAVG: 4601800 -36.8782 6.2365 -44.0068 6.23642 -18.5716 -55.5059 -44.0068 -55.5061 51.6421 GPRESSAVG: 4601800 -35.0886 5.08984 -45.2572 7.14192 -19.8116 -56.9751 -43.6551 -55.8696 50.9718 TIMING: 4601800 CPU: 13833.5, 0.00306397/step Wall: 13833.5, 0.00306397/step, 0.338909 hours remaining, 209.000000 MB of memory in use. ENERGY: 4601800 701.5071 2118.0197 1958.4710 112.9533 -206173.9202 17359.1404 0.0000 0.0000 34255.3446 -149668.4841 299.1604 -183923.8287 -149578.0048 298.2603 -244.1883 -212.8890 556585.6081 -1.2693 -1.3095 PRESSURE: 4602000 -134.65 -168.508 27.4534 -168.506 67.939 112.469 27.4528 112.47 -106.359 GPRESSURE: 4602000 -124.959 -92.0784 144.455 -139.149 72.2994 109.884 37.4078 76.3009 -15.4531 PRESSAVG: 4602000 8.16386 14.2983 -40.3411 14.2982 -27.7338 -42.4815 -40.3411 -42.4815 18.5448 GPRESSAVG: 4602000 7.71704 15.7745 -39.7099 14.6834 -28.2384 -42.6184 -39.9267 -42.7491 19.0571 TIMING: 4602000 CPU: 13834.2, 0.00305247/step Wall: 13834.2, 0.00305247/step, 0.337467 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: 4602000 729.0780 2093.9537 1953.3337 114.8078 -206453.6520 17801.2553 0.0000 0.0000 34026.5969 -149734.6266 297.1627 -183761.2235 -149631.5364 297.7650 -57.6900 -22.7044 556189.1172 -0.3417 -0.4881 PRESSURE: 4602200 129.609 -162.624 78.3261 -162.623 12.0421 156.724 78.3263 156.726 45.1085 GPRESSURE: 4602200 146.532 -156.987 164.261 -207.454 73.7764 297.953 45.5875 65.2727 66.814 PRESSAVG: 4602200 -68.7655 -29.1851 38.585 -29.185 -30.4322 6.93417 38.5849 6.93428 55.112 GPRESSAVG: 4602200 -69.0448 -30.1029 38.9715 -30.0482 -30.466 7.57805 38.8772 6.10985 54.8271 TIMING: 4602200 CPU: 13834.8, 0.00303906/step Wall: 13834.8, 0.00303906/step, 0.335816 hours remaining, 209.000000 MB of memory in use. ENERGY: 4602200 723.7378 2096.8114 1926.1988 113.9908 -206770.4984 18108.3453 0.0000 0.0000 34098.4640 -149702.9503 297.7904 -183801.4143 -149605.6428 298.7497 62.2533 95.7074 556378.2071 -14.6952 -14.8946 PRESSURE: 4602400 64.7224 6.61419 -46.5928 6.61368 201.04 76.6082 -46.5951 76.6078 127.849 GPRESSURE: 4602400 119.848 22.791 -71.8965 -40.4978 225.944 98.5417 -18.6102 49.4258 153.909 PRESSAVG: 4602400 -24.7248 -24.86 27.4821 -24.8601 23.5458 17.0067 27.4821 17.0067 4.94756 GPRESSAVG: 4602400 -24.4804 -25.4995 26.5258 -23.232 23.1564 16.4062 26.4155 19.7196 5.17145 TIMING: 4602400 CPU: 13835.4, 0.00304366/step Wall: 13835.4, 0.00304366/step, 0.336155 hours remaining, 209.000000 MB of memory in use. ENERGY: 4602400 742.7385 2108.0758 1934.0149 107.2962 -206887.5330 18099.3814 0.0000 0.0000 34253.2629 -149642.7633 299.1423 -183896.0261 -149545.3396 298.3099 131.2039 166.5673 556411.3649 1.2562 1.2825 PRESSURE: 4602600 -90.8153 49.0265 168.983 49.0265 141.285 21.4121 168.982 21.4126 70.266 GPRESSURE: 4602600 -1.09802 -24.0953 190.098 50.8591 170.151 100.242 111.671 -7.87077 54.957 PRESSAVG: 4602600 -26.5432 7.81397 -34.1135 7.81395 33.958 -17.1893 -34.1135 -17.1893 -0.0679523 GPRESSAVG: 4602600 -26.3202 12.1472 -34.8984 5.81596 34.4941 -17.9799 -32.107 -17.1667 -0.583923 TIMING: 4602600 CPU: 13836, 0.00302425/step Wall: 13836, 0.00302425/step, 0.333844 hours remaining, 209.000000 MB of memory in use. ENERGY: 4602600 724.6589 2113.1477 1945.6823 118.2228 -207172.0798 18213.0211 0.0000 0.0000 34484.3142 -149573.0326 301.1601 -184057.3468 -149477.0792 298.8399 40.2454 74.6698 556866.2249 2.4490 2.5300 PRESSURE: 4602800 38.1999 -61.8444 83.8966 -61.8459 117.932 -102.35 83.8973 -102.351 99.8214 GPRESSURE: 4602800 36.1558 -179.607 78.443 -17.433 100.27 -45.3046 16.6791 -172.683 221.121 PRESSAVG: 4602800 -18.57 55.1626 -16.124 55.1627 -12.4357 -32.4315 -16.124 -32.4315 8.71443 GPRESSAVG: 4602800 -19.3383 52.313 -16.0369 54.923 -11.377 -32.8968 -18.6237 -33.6965 8.55777 TIMING: 4602800 CPU: 13836.6, 0.00304619/step Wall: 13836.6, 0.00304619/step, 0.336096 hours remaining, 209.000000 MB of memory in use. ENERGY: 4602800 748.5773 2104.0940 1947.1620 115.4761 -206509.3996 18029.2416 0.0000 0.0000 34331.4580 -149233.3905 299.8252 -183564.8485 -149138.4785 298.3546 85.3176 119.1823 557001.1999 -7.4304 -7.3858 PRESSURE: 4603000 49.8589 0.630163 9.22472 0.628735 345.592 -85.9277 9.22472 -85.9286 288.371 GPRESSURE: 4603000 59.5102 -58.4975 76.067 26.0138 419.179 -13.8391 -13.1374 -95.5462 295.238 PRESSAVG: 4603000 -8.81383 22.369 50.2482 22.3689 56.5247 13.496 50.2482 13.4959 -46.1849 GPRESSAVG: 4603000 -8.3163 21.1046 51.569 24.1336 55.9973 13.5548 49.9317 14.1857 -45.4735 TIMING: 4603000 CPU: 13837.2, 0.003017/step Wall: 13837.2, 0.003017/step, 0.332708 hours remaining, 209.000000 MB of memory in use. ENERGY: 4603000 747.9542 2110.5196 1927.3246 106.0418 -206429.6920 18187.6146 0.0000 0.0000 34315.9640 -149034.2732 299.6898 -183350.2372 -148936.0300 298.6904 227.9404 257.9759 557042.4251 0.5087 0.7358 PRESSURE: 4603200 220.124 40.8331 175.2 40.8339 0.318428 -77.1068 175.2 -77.106 189.982 GPRESSURE: 4603200 250.169 68.4692 144.689 -5.43509 43.8276 -84.5965 135.231 27.0458 215.306 PRESSAVG: 4603200 -3.08772 -51.6103 -27.1829 -51.6103 21.3217 -46.2129 -27.1829 -46.2129 -4.97188 GPRESSAVG: 4603200 -2.9038 -52.4079 -27.5384 -50.3038 23.1292 -45.9264 -26.0477 -44.6549 -6.77919 TIMING: 4603200 CPU: 13837.8, 0.00304746/step Wall: 13837.8, 0.00304746/step, 0.335898 hours remaining, 209.000000 MB of memory in use. ENERGY: 4603200 724.2483 2059.3162 1952.6541 99.6086 -206274.1398 17910.5507 0.0000 0.0000 34444.8500 -149082.9120 300.8154 -183527.7620 -148985.6179 299.3493 136.8082 169.7676 557001.0163 4.4207 4.4821 PRESSURE: 4603400 159.092 98.3515 -76.9015 98.3506 286.397 130.76 -76.9019 130.761 28.6788 GPRESSURE: 4603400 199.314 99.1334 -151.808 32.1213 280.444 24.4924 -82.9474 161.381 87.853 PRESSAVG: 4603400 -17.6792 44.0029 -79.3973 44.0029 -3.19641 -56.9984 -79.3975 -56.9984 16.5985 GPRESSAVG: 4603400 -16.09 46.0706 -78.7023 41.3461 -4.74824 -55.771 -80.465 -59.2673 16.5265 TIMING: 4603400 CPU: 13838.4, 0.00302208/step Wall: 13838.4, 0.00302208/step, 0.332933 hours remaining, 209.000000 MB of memory in use. ENERGY: 4603400 740.7091 2044.3005 1938.5766 123.6705 -206083.5106 17892.5057 0.0000 0.0000 34240.6377 -149103.1104 299.0320 -183343.7481 -149005.3304 299.5082 158.0558 189.2036 556483.8150 -1.4257 -1.4373 PRESSURE: 4603600 114.722 5.87503 136.047 5.87338 148.758 -134.197 136.047 -134.199 -15.3122 GPRESSURE: 4603600 164.929 54.1625 180.836 21.2461 138.477 -186.8 165.159 -45.3632 32.3925 PRESSAVG: 4603600 -37.1136 -14.8356 36.289 -14.8356 63.3315 5.51291 36.289 5.51294 0.463422 GPRESSAVG: 4603600 -37.4904 -15.9033 34.9296 -13.8751 63.5063 5.38139 37.3447 5.66731 0.957094 TIMING: 4603600 CPU: 13839, 0.00302046/step Wall: 13839, 0.00302046/step, 0.332586 hours remaining, 209.000000 MB of memory in use. ENERGY: 4603600 762.0012 2015.4753 1947.9722 110.2628 -206235.4860 18004.2654 0.0000 0.0000 34311.7882 -149083.7209 299.6534 -183395.5091 -148976.4360 299.6947 82.7227 111.9326 556288.3959 8.8937 8.9910 PRESSURE: 4603800 -362.102 185.505 14.9958 185.505 -195.11 40.4252 14.9954 40.4263 -225.393 GPRESSURE: 4603800 -343.739 140.255 109.155 237.915 -90.0998 80.5116 -35.4368 0.729465 -234.912 PRESSAVG: 4603800 -18.7899 -8.47404 -19.1142 -8.47407 -7.88736 23.3517 -19.1141 23.3515 14.1748 GPRESSAVG: 4603800 -19.7244 -7.57593 -19.6054 -8.14719 -7.3303 23.7308 -19.1532 24.443 14.3932 TIMING: 4603800 CPU: 13839.6, 0.00305374/step Wall: 13839.6, 0.00305374/step, 0.336081 hours remaining, 209.000000 MB of memory in use. ENERGY: 4603800 780.3081 2174.5542 1930.7966 100.0909 -205669.2544 17348.4068 0.0000 0.0000 34242.9904 -149092.1074 299.0526 -183335.0978 -148999.3315 299.8573 -260.8683 -222.9170 556541.3132 -4.1675 -4.2205 PRESSURE: 4604000 102.386 71.6541 -114.262 71.655 -148.077 -156.643 -114.263 -156.642 -279.53 GPRESSURE: 4604000 116.253 68.9414 -198.776 73.6374 -129.146 -191.482 -164.577 -61.4413 -220.422 PRESSAVG: 4604000 2.53369 -4.13793 12.1026 -4.13793 24.5586 13.212 12.1026 13.212 4.14408 GPRESSAVG: 4604000 2.6803 -4.33225 13.9919 -3.79662 24.7587 13.6165 10.7307 11.8103 4.03086 TIMING: 4604000 CPU: 13840.2, 0.00304995/step Wall: 13840.2, 0.00304995/step, 0.335495 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: 4604000 738.1843 2103.3066 1936.6599 112.2149 -206140.6360 17692.2664 0.0000 0.0000 34384.7771 -149173.2267 300.2908 -183558.0038 -149070.4068 299.1258 -108.4066 -77.7715 557048.3290 10.4121 10.4899 PRESSURE: 4604200 45.2254 -123.806 -73.8727 -123.807 154.065 -101.814 -73.8721 -101.815 -177.631 GPRESSURE: 4604200 22.1772 -188.141 -119.621 2.66949 218.987 -38.9135 -34.969 -62.6633 -116.633 PRESSAVG: 4604200 -17.5103 27.9525 -39.1284 27.9524 2.76156 9.84173 -39.1284 9.84173 5.43026 GPRESSAVG: 4604200 -17.4349 27.2076 -40.8263 28.4678 2.79464 12.2935 -38.8359 9.05105 5.53224 TIMING: 4604200 CPU: 13840.8, 0.00304288/step Wall: 13840.8, 0.00304288/step, 0.334548 hours remaining, 209.000000 MB of memory in use. ENERGY: 4604200 767.8032 2133.8104 1927.5181 108.1022 -206450.9002 17853.2040 0.0000 0.0000 34349.0865 -149311.3758 299.9791 -183660.4623 -149208.0293 299.4479 7.2197 41.5103 556344.9344 -3.1062 -3.0360 LDB: ============= START OF LOAD BALANCING ============== 13844.3 LDB: ============== END OF LOAD BALANCING =============== 13844.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13844.3 LDB: ============= START OF LOAD BALANCING ============== 13844.6 LDB: Largest compute 4820 load 0.029032 is 24.6% of average load 0.118102 LDB: Average compute 0.001735 is 1.5% of average load 0.118102 LDB: TIME 13844.6 LOAD: AVG 0.118102 MAX 0.218658 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.871 MB LDB: TIME 13844.6 LOAD: AVG 0.118102 MAX 0.218658 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.871 MB LDB: TIME 13844.6 LOAD: AVG 0.118102 MAX 0.218658 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.871 MB LDB: ============== END OF LOAD BALANCING =============== 13844.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13844.6 PRESSURE: 4604400 5.06043 145.04 -244.965 145.04 309.53 -80.4677 -244.965 -80.4691 81.3402 GPRESSURE: 4604400 2.22622 90.3497 -203.526 175.775 318.064 -77.6826 -277.67 -93.7705 179.091 PRESSAVG: 4604400 1.13096 -7.37015 -45.8305 -7.37008 53.512 -6.02494 -45.8306 -6.025 -51.4906 GPRESSAVG: 4604400 2.06848 -6.58379 -44.5018 -9.32911 54.0686 -7.33424 -45.8268 -5.16653 -52.4868 TIMING: 4604400 CPU: 13841.5, 0.00309103/step Wall: 13841.5, 0.00309103/step, 0.33967 hours remaining, 208.414062 MB of memory in use. ENERGY: 4604400 716.3737 2152.2770 1941.4448 111.2452 -206256.5069 17857.0661 0.0000 0.0000 34334.5206 -149143.5795 299.8519 -183478.1001 -149048.5160 299.4967 131.9770 166.4604 555428.9630 1.0508 1.2168 PRESSURE: 4604600 137.062 97.3653 -230.267 97.3644 31.9782 -99.6099 -230.266 -99.6116 -336.449 GPRESSURE: 4604600 165.223 182.436 -167.014 26.4235 70.3217 -93.6353 -212.934 -105.475 -326.446 PRESSAVG: 4604600 53.6611 9.60901 0.175298 9.60909 15.0493 23.8956 0.175052 23.8957 -27.3895 GPRESSAVG: 4604600 52.5675 8.70451 -1.10552 12.1497 15.71 20.9741 1.7739 23.2915 -27.4239 TIMING: 4604600 CPU: 13842.1, 0.00304895/step Wall: 13842.1, 0.00304895/step, 0.334876 hours remaining, 208.414062 MB of memory in use. ENERGY: 4604600 757.2735 2128.4051 1959.7544 110.9795 -205808.5892 17526.6609 0.0000 0.0000 34206.4957 -149119.0202 298.7338 -183325.5159 -149019.4623 300.0827 -55.8027 -30.3007 556952.1775 13.7736 13.6179 PRESSURE: 4604800 47.5378 -35.7194 90.0536 -35.7189 22.8345 -78.1007 90.0531 -78.1014 -104.396 GPRESSURE: 4604800 107.554 -7.68438 1.73729 -51.2942 42.9232 -2.63282 139.636 -99.07 -88.4511 PRESSAVG: 4604800 27.8875 27.1327 -50.0005 27.1327 8.61365 47.3305 -50.0005 47.3305 2.67667 GPRESSAVG: 4604800 26.7955 28.2407 -51.0962 26.9061 7.94031 50.4563 -51.235 48.2485 3.64289 TIMING: 4604800 CPU: 13842.7, 0.00307288/step Wall: 13842.7, 0.00307288/step, 0.337334 hours remaining, 208.414062 MB of memory in use. ENERGY: 4604800 776.5479 2088.8918 1962.9563 103.3100 -206435.8726 17809.0038 0.0000 0.0000 34384.5458 -149310.6168 300.2888 -183695.1626 -149215.1124 299.6445 -11.3412 20.6755 556157.7261 13.0593 12.7929 PRESSURE: 4605000 -5.30355 137.876 119.136 137.875 97.805 2.86496 119.135 2.86666 -310.312 GPRESSURE: 4605000 4.18173 170.551 55.0074 102.95 118.273 31.7635 170.643 -11.8269 -245.212 PRESSAVG: 4605000 -30.6242 41.9717 30.673 41.9717 56.9209 25.5818 30.6728 25.5818 -47.6972 GPRESSAVG: 4605000 -30.6702 40.9854 33.0908 40.549 56.6564 24.5104 33.3606 25.3913 -47.5124 TIMING: 4605000 CPU: 13843.3, 0.00307278/step Wall: 13843.3, 0.00307278/step, 0.337152 hours remaining, 208.414062 MB of memory in use. ENERGY: 4605000 745.7015 2058.0182 1923.9846 102.4768 -206347.9054 17788.5226 0.0000 0.0000 34297.4507 -149431.7511 299.5282 -183729.2019 -149331.8317 299.7876 -72.6035 -40.9191 556932.3274 -7.1335 -7.1754 PRESSURE: 4605200 292.855 -189.24 -5.48935 -189.239 196.172 0.29254 -5.48953 0.292573 -138.226 GPRESSURE: 4605200 344.487 -227.838 73.2201 -141.139 205.064 -44.958 -29.3789 -26.3885 -96.5996 PRESSAVG: 4605200 1.9473 -43.2112 22.5722 -43.2112 38.8253 -18.991 22.572 -18.9909 -11.5115 GPRESSAVG: 4605200 2.47713 -44.9661 20.8163 -41.7801 38.9022 -20.7577 20.2392 -19.0395 -12.5809 TIMING: 4605200 CPU: 13843.9, 0.00306171/step Wall: 13843.9, 0.00306171/step, 0.335768 hours remaining, 208.414062 MB of memory in use. ENERGY: 4605200 727.4714 2051.4586 1921.0297 109.4700 -206467.6677 17917.1246 0.0000 0.0000 34356.0950 -149385.0185 300.0403 -183741.1135 -149289.2289 299.2621 116.9338 150.9838 555372.6841 9.7537 9.5995 PRESSURE: 4605400 -119.598 83.4581 -91.9983 83.4587 9.82956 -49.6619 -91.9986 -49.6623 60.4985 GPRESSURE: 4605400 -82.9743 161.557 -78.4066 74.9962 -18.0302 -5.44964 -36.0921 -83.7152 149.412 PRESSAVG: 4605400 -55.0189 2.29922 18.5162 2.2992 73.032 -15.626 18.5162 -15.6259 -5.74507 GPRESSAVG: 4605400 -54.3503 4.55692 18.9845 1.09246 72.507 -14.9083 19.0692 -13.4135 -6.00672 TIMING: 4605400 CPU: 13844.5, 0.00303557/step Wall: 13844.5, 0.00303557/step, 0.332732 hours remaining, 208.414062 MB of memory in use. ENERGY: 4605400 697.6563 2140.5782 1932.3213 111.4763 -206270.6347 17679.3405 0.0000 0.0000 34283.4768 -149425.7853 299.4061 -183709.2620 -149329.3105 299.0998 -16.4233 16.1359 556363.7840 4.0893 4.0500 PRESSURE: 4605600 -247.184 -20.0825 -29.2458 -20.0829 -64.1869 -71.2413 -29.2456 -71.2408 -235.638 GPRESSURE: 4605600 -300.185 -35.1125 -38.9875 -23.387 -20.3473 -50.2059 17.4932 -76.6542 -124.793 PRESSAVG: 4605600 -51.7803 13.0915 -5.23948 13.0915 -0.193739 -13.3598 -5.23947 -13.3597 25.1339 GPRESSAVG: 4605600 -52.4813 12.1997 -5.73239 15.3946 -0.41943 -13.3387 -4.82727 -16.0706 26.0506 TIMING: 4605600 CPU: 13845.1, 0.00306025/step Wall: 13845.1, 0.00306025/step, 0.335267 hours remaining, 208.414062 MB of memory in use. ENERGY: 4605600 754.4951 2083.1688 1933.9822 111.2744 -205937.8700 17550.6731 0.0000 0.0000 33964.4888 -149539.7877 296.6203 -183504.2765 -149441.4333 298.7351 -182.3362 -148.4417 558257.5888 -8.9467 -8.9501 PRESSURE: 4605800 -219.415 22.0478 -34.1486 22.0484 -48.7343 -0.809219 -34.1479 -0.807985 -278.345 GPRESSURE: 4605800 -161.46 1.77656 -63.0749 -14.4657 -62.2327 -15.4635 -27.3166 -6.12728 -223.034 PRESSAVG: 4605800 -53.6004 -30.62 31.3271 -30.62 33.3012 -70.5733 31.3271 -70.5733 3.90482 GPRESSAVG: 4605800 -53.6331 -30.504 29.9581 -32.1766 34.2006 -69.8921 31.572 -69.0959 3.32413 TIMING: 4605800 CPU: 13845.7, 0.00303868/step Wall: 13845.7, 0.00303868/step, 0.332735 hours remaining, 208.414062 MB of memory in use. ENERGY: 4605800 749.4884 2108.8904 1937.7375 108.4213 -206112.9823 17671.9043 0.0000 0.0000 34156.3755 -149380.1649 298.2961 -183536.5404 -149284.6532 298.0663 -182.1645 -148.9087 557159.9576 -5.4648 -5.3695 PRESSURE: 4606000 19.9358 -85.1918 -59.9182 -85.1915 232.77 -15.0193 -59.9188 -15.0185 148.156 GPRESSURE: 4606000 -14.9758 -78.0672 -29.6046 -46.6561 273.735 -0.586898 -54.3849 -75.1712 238.895 PRESSAVG: 4606000 -38.2753 14.4818 -32.2514 14.4817 4.60233 20.2783 -32.2513 20.2784 94.5175 GPRESSAVG: 4606000 -38.8375 13.2345 -31.0123 15.1505 4.07496 20.814 -32.441 18.8514 95.5593 TIMING: 4606000 CPU: 13846.3, 0.00303408/step Wall: 13846.3, 0.00303408/step, 0.332063 hours remaining, 208.414062 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: 4606000 762.1416 2113.4995 1960.7972 111.5475 -206441.8410 18158.3281 0.0000 0.0000 34033.8199 -149301.7071 297.2258 -183335.5270 -149205.1922 298.9637 133.6206 165.8845 557167.6115 20.2815 20.2656 PRESSURE: 4606200 146.507 60.3983 -170.712 60.3981 127.999 133.623 -170.711 133.623 -89.0076 GPRESSURE: 4606200 174.939 69.327 -162.689 61.7771 125.947 173.441 -162.146 182.33 -18.5123 PRESSAVG: 4606200 25.1224 -5.19803 14.3248 -5.19809 21.719 22.8884 14.3248 22.8884 -5.78653 GPRESSAVG: 4606200 26.1384 -2.97139 13.2118 -6.92974 20.8807 21.3205 13.6762 22.5737 -5.95902 TIMING: 4606200 CPU: 13846.9, 0.00304756/step Wall: 13846.9, 0.00304756/step, 0.333369 hours remaining, 208.414062 MB of memory in use. ENERGY: 4606200 767.0903 2102.3423 1957.2696 110.0809 -206395.5861 17961.2098 0.0000 0.0000 34368.3319 -149129.2613 300.1472 -183497.5931 -149020.0315 298.6483 61.8327 94.1246 557073.4100 13.6850 13.6867 PRESSURE: 4606400 -352.782 67.2729 -43.7129 67.271 -203.61 -74.965 -43.7134 -74.9643 39.2866 GPRESSURE: 4606400 -301.388 31.8803 -89.8887 40.1545 -179.877 -59.1431 41.5487 -134.875 73.138 PRESSAVG: 4606400 18.2274 31.6535 -24.3336 31.6536 -33.1953 25.6963 -24.3337 25.6964 31.3258 GPRESSAVG: 4606400 18.0029 30.1615 -23.2192 33.8267 -32.0796 28.7994 -24.2355 25.6692 30.4465 TIMING: 4606400 CPU: 13847.6, 0.00305931/step Wall: 13847.6, 0.00305931/step, 0.334484 hours remaining, 208.414062 MB of memory in use. ENERGY: 4606400 768.1580 2138.3879 1920.9233 109.4792 -206146.8622 17658.7979 0.0000 0.0000 34355.1620 -149195.9538 300.0322 -183551.1158 -149096.8458 299.1660 -172.3684 -136.0423 557104.6858 5.4527 5.4566 PRESSURE: 4606600 136.788 138.193 -72.887 138.193 97.675 -44.7981 -72.8875 -44.7976 97.7866 GPRESSURE: 4606600 167.271 159.599 -104.44 147.715 81.2426 -99.0769 18.9387 -73.2258 177.152 PRESSAVG: 4606600 -19.994 23.718 -2.43352 23.7181 -15.6757 28.9318 -2.43351 28.9319 34.1757 GPRESSAVG: 4606600 -20.1837 24.7763 -2.43533 22.793 -15.0985 25.5813 -2.16592 30.3105 34.4838 TIMING: 4606600 CPU: 13848.2, 0.00308424/step Wall: 13848.2, 0.00308424/step, 0.337039 hours remaining, 208.414062 MB of memory in use. ENERGY: 4606600 760.2748 2060.0754 1959.2554 132.7748 -206428.3676 18095.5732 0.0000 0.0000 34174.5444 -149245.8696 298.4548 -183420.4140 -149150.1285 298.6435 110.7498 141.8886 558150.2014 -0.4980 -0.2662 PRESSURE: 4606800 -87.6877 170.138 15.1115 170.138 255.269 22.6677 15.1105 22.667 -232.626 GPRESSURE: 4606800 -31.9198 129.613 15.2087 210.992 309.429 55.3171 -37.4536 38.5503 -236.335 PRESSAVG: 4606800 57.8721 6.1966 -27.7495 6.19656 -13.0133 54.5865 -27.7494 54.5865 -75.0162 GPRESSAVG: 4606800 58.2549 7.04894 -26.9508 5.24514 -12.5622 54.6548 -27.4353 54.6178 -75.4696 TIMING: 4606800 CPU: 13848.8, 0.00305993/step Wall: 13848.8, 0.00305993/step, 0.334212 hours remaining, 208.414062 MB of memory in use. ENERGY: 4606800 762.2041 2084.1138 1894.2154 127.6587 -206351.7931 17984.7511 0.0000 0.0000 34297.5663 -149201.2837 299.5292 -183498.8500 -149101.6395 299.2484 -21.6816 13.7245 559050.9424 -10.0525 -9.9256 PRESSURE: 4607000 -139.319 -64.0881 -64.2312 -64.0876 -208.391 -95.9239 -64.2312 -95.9236 -162.714 GPRESSURE: 4607000 -80.5391 -95.0981 -17.4943 -98.0474 -211.714 -61.2301 -132.883 -176.586 -122.801 PRESSAVG: 4607000 -32.1649 -49.9907 -10.6782 -49.9906 36.7718 9.31583 -10.6782 9.31602 6.06618 GPRESSAVG: 4607000 -31.5159 -51.6648 -11.4532 -49.9355 34.981 8.1315 -9.45699 9.83158 7.69796 TIMING: 4607000 CPU: 13849.4, 0.00308834/step Wall: 13849.4, 0.00308834/step, 0.337144 hours remaining, 208.414062 MB of memory in use. ENERGY: 4607000 769.2633 2070.6402 1960.4168 114.1161 -206166.2437 17606.7384 0.0000 0.0000 34420.9079 -149224.1611 300.6063 -183645.0690 -149119.6862 299.2785 -170.1413 -138.3514 557950.6164 3.5577 3.7210 PRESSURE: 4607200 -70.513 -101.981 -64.889 -101.983 10.5828 54.5658 -64.8893 54.5659 -225.065 GPRESSURE: 4607200 -44.7906 -142.069 -3.39037 -9.80352 28.1838 46.7204 -88.9386 57.6839 -170.556 PRESSAVG: 4607200 28.0301 -57.5124 41.1983 -57.5124 -52.2786 -45.9276 41.1983 -45.9276 14.9844 GPRESSAVG: 4607200 27.3569 -55.7646 40.2637 -57.2792 -51.142 -45.8008 39.4249 -47.0467 14.613 TIMING: 4607200 CPU: 13850, 0.00309429/step Wall: 13850, 0.00309429/step, 0.337622 hours remaining, 208.414062 MB of memory in use. ENERGY: 4607200 717.4472 2058.5648 1932.5470 111.9345 -206151.7426 17743.2551 0.0000 0.0000 34370.2181 -149217.7759 300.1637 -183587.9940 -149116.3871 299.2880 -94.9985 -62.3876 558608.4138 -3.0881 -3.0573 PRESSURE: 4607400 -11.4701 137.127 -84.6751 137.126 -355.169 32.3211 -84.6738 32.3213 -410.144 GPRESSURE: 4607400 40.9453 115.131 -57.7113 119.241 -359.937 81.2526 -174.78 18.1973 -356.279 PRESSAVG: 4607400 30.884 -12.9366 8.04561 -12.9367 7.83228 24.3738 8.04565 24.3739 -20.4022 GPRESSAVG: 4607400 30.2074 -14.6989 8.39999 -11.7007 7.50786 26.5168 8.09634 25.7252 -19.4947 TIMING: 4607400 CPU: 13850.6, 0.00307668/step Wall: 13850.6, 0.00307668/step, 0.335529 hours remaining, 208.414062 MB of memory in use. ENERGY: 4607400 769.7310 2055.3233 1926.3976 116.1996 -205788.7954 17585.5375 0.0000 0.0000 34072.0766 -149263.5298 297.5599 -183335.6063 -149173.4773 298.8831 -258.9277 -225.0903 559920.1823 6.1047 6.0735 PRESSURE: 4607600 -393.121 29.7796 -121.213 29.7797 -111.931 -121.885 -121.214 -121.884 -115.542 GPRESSURE: 4607600 -308.296 -23.5941 -132.286 50.0132 -125.923 -71.3805 -125.585 -67.1104 -94.1537 PRESSAVG: 4607600 -26.4481 8.13609 -1.6283 8.13614 -27.2784 3.93084 -1.62829 3.93082 -3.65727 GPRESSAVG: 4607600 -25.5457 5.94523 -2.81901 8.88613 -27.9496 3.98678 0.702488 2.81972 -4.61096 TIMING: 4607600 CPU: 13851.3, 0.00305062/step Wall: 13851.3, 0.00305062/step, 0.332517 hours remaining, 208.414062 MB of memory in use. ENERGY: 4607600 744.6921 2092.7345 1928.5783 118.6960 -205898.1868 17502.8390 0.0000 0.0000 34219.5931 -149291.0539 298.8482 -183510.6469 -149192.3297 299.0024 -206.8647 -176.1243 557828.5295 -19.1279 -19.3688 PRESSURE: 4607800 -32.5102 147.877 54.3551 147.876 -251.803 -11.4623 54.3561 -11.4608 -358.31 GPRESSURE: 4607800 -19.9218 135.813 41.7587 199.552 -212.712 -19.1173 45.6777 -35.7392 -306.453 PRESSAVG: 4607800 -0.0615749 -24.4594 -17.9861 -24.4594 38.1965 -58.6088 -17.9861 -58.6087 7.80076 GPRESSAVG: 4607800 -0.387376 -21.4119 -16.8501 -26.2997 38.1027 -58.5453 -19.9155 -57.6351 7.8976 TIMING: 4607800 CPU: 13851.9, 0.00305229/step Wall: 13851.9, 0.00305229/step, 0.33253 hours remaining, 208.414062 MB of memory in use. ENERGY: 4607800 757.4340 2088.9780 1921.5285 117.9318 -206247.4419 17712.2832 0.0000 0.0000 34136.3599 -149512.9265 298.1213 -183649.2864 -149420.9256 298.9469 -214.2076 -179.6957 556618.0626 15.3119 15.2043 PRESSURE: 4608000 -219.945 0.170823 -83.2603 0.170364 -110.583 82.0746 -83.2604 82.0755 -267.652 GPRESSURE: 4608000 -152.895 -13.282 1.24922 22.7008 -97.6904 109.19 -132.951 52.2678 -251.211 PRESSAVG: 4608000 59.458 38.463 -12.23 38.463 -3.43601 9.14836 -12.2299 9.14827 -36.0467 GPRESSAVG: 4608000 59.6375 37.3503 -12.4616 39.9048 -2.23189 9.7456 -11.44 9.46586 -38.2117 TIMING: 4608000 CPU: 13852.5, 0.00308322/step Wall: 13852.5, 0.00308322/step, 0.335729 hours remaining, 208.414062 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: 4608000 776.1770 2085.6549 1900.3101 106.1409 -206503.4260 17809.4708 0.0000 0.0000 34183.4955 -149642.1769 298.5330 -183825.6723 -149548.0829 298.1258 -199.3934 -167.2653 557283.9917 6.6584 6.3979 PRESSURE: 4608200 -82.5076 -80.7256 -5.82163 -80.7246 -192.345 27.0617 -5.82163 27.0627 -244.969 GPRESSURE: 4608200 -123.683 -88.5437 -75.8472 -53.0669 -199.02 55.7212 100.533 6.9972 -106.462 PRESSAVG: 4608200 -51.2271 5.85677 -4.94617 5.85669 10.3332 -65.7206 -4.94626 -65.7205 -16.5386 GPRESSAVG: 4608200 -51.7391 6.62824 -5.35048 5.74099 10.2961 -67.2555 -4.58308 -64.5808 -15.7505 TIMING: 4608200 CPU: 13853.1, 0.00309416/step Wall: 13853.1, 0.00309416/step, 0.336748 hours remaining, 208.414062 MB of memory in use. ENERGY: 4608200 785.8182 2107.4711 1913.6145 110.2630 -206356.9134 17617.6594 0.0000 0.0000 34076.8993 -149745.1880 297.6020 -183822.0873 -149654.9359 297.8864 -173.2738 -143.0552 557928.9301 -19.1442 -19.0645 LDB: ============= START OF LOAD BALANCING ============== 13856.5 LDB: ============== END OF LOAD BALANCING =============== 13856.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13856.5 LDB: ============= START OF LOAD BALANCING ============== 13856.8 LDB: Largest compute 4820 load 0.031556 is 26.7% of average load 0.118068 LDB: Average compute 0.001734 is 1.5% of average load 0.118068 LDB: TIME 13856.8 LOAD: AVG 0.118068 MAX 0.214946 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.758 MB LDB: TIME 13856.8 LOAD: AVG 0.118068 MAX 0.214946 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.758 MB LDB: TIME 13856.8 LOAD: AVG 0.118068 MAX 0.214946 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.758 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13856.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13856.8 PRESSURE: 4608400 200.345 49.4709 -112.865 49.471 -50.8322 111.571 -112.866 111.571 -196.768 GPRESSURE: 4608400 181.258 56.9298 -67.1797 34.7574 -63.1375 107.727 -202.48 149.436 -80.4303 PRESSAVG: 4608400 -12.5028 -77.9446 10.019 -77.9446 -22.0537 10.7016 10.019 10.7015 35.5021 GPRESSAVG: 4608400 -11.342 -77.8534 11.0294 -77.3969 -22.854 11.2408 10.6672 9.44677 34.7354 TIMING: 4608400 CPU: 13853.7, 0.00309528/step Wall: 13853.7, 0.00309528/step, 0.336698 hours remaining, 208.097656 MB of memory in use. ENERGY: 4608400 726.8465 2048.2448 1964.9161 116.6157 -206346.0237 17885.7138 0.0000 0.0000 34078.1637 -149525.5231 297.6131 -183603.6868 -149431.4261 298.5298 -15.7518 12.5634 556725.2196 0.3152 0.1798 PRESSURE: 4608600 -76.4128 -86.4773 -227.3 -86.4779 -157.572 77.4966 -227.301 77.4971 -86.6775 GPRESSURE: 4608600 -46.09 -177.718 -172.522 -42.1227 -113.007 59.2364 -347.606 45.5675 -67.8127 PRESSAVG: 4608600 31.9551 -70.0397 -57.0639 -70.0399 -45.6598 10.3685 -57.0638 10.3686 1.71832 GPRESSAVG: 4608600 30.5527 -70.2915 -57.6046 -72.1717 -44.3183 9.87028 -59.1752 11.0336 2.46339 TIMING: 4608600 CPU: 13854.3, 0.00304078/step Wall: 13854.3, 0.00304078/step, 0.330601 hours remaining, 208.503906 MB of memory in use. ENERGY: 4608600 809.1131 2035.1610 1944.2997 119.9663 -206306.7141 17709.7382 0.0000 0.0000 34078.6527 -149609.7831 297.6174 -183688.4358 -149514.4488 297.2818 -106.8874 -75.6367 557770.1219 -3.9955 -3.7674 PRESSURE: 4608800 445.538 -150.495 -219.454 -150.495 144.919 92.0124 -219.453 92.012 202.553 GPRESSURE: 4608800 445.346 -173.609 -164.431 -170.498 212.485 69.4093 -145.529 100.9 236.392 PRESSAVG: 4608800 -26.6367 -14.0883 -8.80726 -14.0883 -40.6406 2.0355 -8.80724 2.03561 65.5749 GPRESSAVG: 4608800 -25.257 -13.5005 -6.72951 -12.8491 -41.7705 2.59399 -9.67859 1.67729 65.0625 TIMING: 4608800 CPU: 13854.9, 0.00305568/step Wall: 13854.9, 0.00305568/step, 0.332051 hours remaining, 208.503906 MB of memory in use. ENERGY: 4608800 712.1548 2102.6608 1955.1156 103.1397 -206843.4410 18198.0931 0.0000 0.0000 34186.7865 -149585.4905 298.5617 -183772.2769 -149486.9831 297.1831 264.3366 298.0742 557136.5101 -0.5674 -0.6550 PRESSURE: 4609000 233.002 -142.777 69.4828 -142.777 184.615 -28.9559 69.4836 -28.9554 157.976 GPRESSURE: 4609000 284.458 -114.348 86.9173 -118.349 224.836 -78.3108 124.692 -66.7775 170.431 PRESSAVG: 4609000 12.8897 -50.6828 -17.0629 -50.6828 58.3323 -39.6491 -17.0629 -39.649 -44.8868 GPRESSAVG: 4609000 11.4443 -50.8195 -18.2664 -50.4635 58.3098 -39.1383 -16.3247 -40.9488 -43.762 TIMING: 4609000 CPU: 13855.6, 0.00307125/step Wall: 13855.6, 0.00307125/step, 0.333572 hours remaining, 208.503906 MB of memory in use. ENERGY: 4609000 722.0262 2065.8986 1957.4252 105.7387 -206573.6102 18075.4922 0.0000 0.0000 34165.0005 -149482.0287 298.3714 -183647.0292 -149387.1083 298.3962 191.8641 226.5751 556855.1029 8.7784 8.6640 PRESSURE: 4609200 -39.9221 52.7357 91.0253 52.7358 134.463 -146.752 91.0239 -146.752 -158.782 GPRESSURE: 4609200 4.90789 36.7818 88.9913 106.529 147.077 -104.48 47.4255 -215.862 -118.092 PRESSAVG: 4609200 -23.6618 15.1151 58.4811 15.115 36.0818 -6.27105 58.4811 -6.27103 -8.95987 GPRESSAVG: 4609200 -23.2593 13.803 57.3191 14.9783 36.0242 -5.22348 58.1621 -4.5954 -9.72239 TIMING: 4609200 CPU: 13856.2, 0.00309407/step Wall: 13856.2, 0.00309407/step, 0.335878 hours remaining, 208.503906 MB of memory in use. ENERGY: 4609200 734.7000 2074.9552 1963.7255 112.4897 -206562.2973 18016.4487 0.0000 0.0000 34129.8815 -149530.0967 298.0647 -183659.9783 -149433.1998 298.9290 -21.4137 11.2975 558659.4250 1.1534 1.0142 PRESSURE: 4609400 29.7784 91.707 -4.21136 91.7058 82.7885 -163.136 -4.2116 -163.136 -175.986 GPRESSURE: 4609400 41.8981 70.0982 53.7912 223.323 116.623 -128.589 -62.1375 -259.619 -115.151 PRESSAVG: 4609400 -34.1646 74.3615 20.185 74.3614 35.424 -57.6361 20.1851 -57.6361 3.25215 GPRESSAVG: 4609400 -33.9875 75.3022 22.3927 75.2996 34.1833 -60.0628 19.7668 -57.598 4.70055 TIMING: 4609400 CPU: 13856.8, 0.00314392/step Wall: 13856.8, 0.00314392/step, 0.341115 hours remaining, 208.503906 MB of memory in use. ENERGY: 4609400 740.1487 2125.9222 1919.6481 102.6155 -206566.3240 17888.9685 0.0000 0.0000 34317.4262 -149471.5949 299.7026 -183789.0211 -149377.0799 298.7080 -21.1398 14.4566 557274.7689 1.5038 1.6321 PRESSURE: 4609600 -145.053 41.6978 -77.4195 41.6989 25.4003 73.7322 -77.4196 73.7303 104.493 GPRESSURE: 4609600 -32.9979 112.499 -102.513 -41.9723 -11.4289 0.942062 -12.6918 68.7849 128.206 PRESSAVG: 4609600 -54.8369 14.8859 -2.03603 14.8858 6.86181 -61.0825 -2.03607 -61.0825 82.0261 GPRESSAVG: 4609600 -53.8667 15.114 -4.34707 13.227 6.59608 -60.9584 -0.804828 -60.553 81.0978 TIMING: 4609600 CPU: 13857.4, 0.00310412/step Wall: 13857.4, 0.00310412/step, 0.336625 hours remaining, 208.503906 MB of memory in use. ENERGY: 4609600 746.9679 2142.5616 1913.5363 112.6820 -206506.7988 17945.5391 0.0000 0.0000 34231.4305 -149414.0816 298.9516 -183645.5120 -149320.8271 299.2983 -5.0535 27.9263 557937.7501 11.3504 11.2757 PRESSURE: 4609800 63.7749 -140.649 135.019 -140.65 -168.551 -3.87083 135.019 -3.8698 -33.4458 GPRESSURE: 4609800 60.7636 -165.065 89.9467 -135.552 -148.258 -116.799 197.807 101.088 36.986 PRESSAVG: 4609800 7.11315 16.9518 13.1041 16.9518 -12.0511 -36.8312 13.1039 -36.8311 -37.916 GPRESSAVG: 4609800 5.91461 17.1829 13.2862 17.8102 -10.9904 -36.5463 14.8064 -35.5116 -38.117 TIMING: 4609800 CPU: 13858, 0.00306094/step Wall: 13858, 0.00306094/step, 0.331772 hours remaining, 208.503906 MB of memory in use. ENERGY: 4609800 736.8723 2121.1968 1953.0075 106.1564 -206450.9731 17856.0955 0.0000 0.0000 34240.9939 -149436.6507 299.0351 -183677.6446 -149344.4993 299.2344 -46.0740 -16.8363 557253.5062 -14.2846 -14.3976 PRESSURE: 4610000 -37.2233 52.9278 -77.1676 52.9284 -150.647 44.0207 -77.1671 44.0199 -297.071 GPRESSURE: 4610000 -46.7257 25.8534 -83.4877 6.57563 -93.0675 69.9409 -90.6606 -59.1014 -246.137 PRESSAVG: 4610000 56.0486 11.1328 -26.3828 11.1328 -63.7085 -46.0717 -26.3828 -46.0717 10.3567 GPRESSAVG: 4610000 56.1255 12.5784 -24.3396 7.83517 -63.2597 -47.762 -27.6736 -46.9171 9.86589 TIMING: 4610000 CPU: 13858.6, 0.00305347/step Wall: 13858.6, 0.00305347/step, 0.330793 hours remaining, 208.503906 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: 4610000 802.1529 2083.9209 1940.5782 115.8888 -206114.7057 17689.8685 0.0000 0.0000 34071.9540 -149410.3423 297.5588 -183482.2963 -149317.6345 299.5362 -161.6471 -128.6432 558566.0033 0.8990 0.9105 PRESSURE: 4610200 290.615 1.74647 -130.204 1.74714 170.745 -42.5906 -130.206 -42.5875 -167.659 GPRESSURE: 4610200 406.922 114.296 -192.714 -10.8103 134.934 33.613 -73.5306 -47.4808 -147.246 PRESSAVG: 4610200 28.0394 25.037 -14.7062 25.0371 69.0383 -21.9171 -14.7064 -21.917 -74.2164 GPRESSAVG: 4610200 28.3987 23.7874 -13.504 26.4252 68.8332 -19.1186 -15.1723 -22.5352 -74.6648 TIMING: 4610200 CPU: 13859.3, 0.00307445/step Wall: 13859.3, 0.00307445/step, 0.332895 hours remaining, 208.503906 MB of memory in use. ENERGY: 4610200 764.9859 2113.5116 1927.5141 125.2158 -206499.4405 17957.5218 0.0000 0.0000 34187.6117 -149423.0797 298.5689 -183610.6914 -149325.4072 298.6445 97.9002 131.5365 557183.8038 7.6204 7.5224 PRESSURE: 4610400 -160.102 80.1556 -48.3144 80.1552 -33.7612 14.8787 -48.3126 14.8775 310.081 GPRESSURE: 4610400 -81.264 92.4664 -90.9287 -9.59588 17.3807 -1.87788 -50.4339 3.30921 280.4 PRESSAVG: 4610400 -39.0242 25.3282 -13.2296 25.3281 -8.58583 -5.21206 -13.2297 -5.21204 29.9512 GPRESSAVG: 4610400 -40.3148 25.8136 -13.3302 25.4365 -8.95146 -5.65702 -13.3315 -3.86528 31.0799 TIMING: 4610400 CPU: 13859.9, 0.00306425/step Wall: 13859.9, 0.00306425/step, 0.33162 hours remaining, 208.503906 MB of memory in use. ENERGY: 4610400 715.8142 2084.9670 1934.1312 122.8616 -206109.9922 17874.4751 0.0000 0.0000 34094.2956 -149283.4475 297.7540 -183377.7431 -149190.9016 298.5531 38.7396 72.1721 559361.4526 -5.8863 -6.0621 PRESSURE: 4610600 -122.375 34.2456 -5.13455 34.2452 -131.862 -255.663 -5.13451 -255.663 94.9805 GPRESSURE: 4610600 -72.0644 81.0422 -50.1108 -8.63094 -99.3126 -286.256 10.8842 -272.839 125.3 PRESSAVG: 4610600 23.6915 59.9121 -48.9194 59.912 26.2993 20.0478 -48.9194 20.0478 -12.6339 GPRESSAVG: 4610600 26.083 60.7901 -49.607 60.9594 25.5276 20.2399 -49.0766 20.4402 -13.9839 TIMING: 4610600 CPU: 13860.5, 0.00306996/step Wall: 13860.5, 0.00306996/step, 0.332067 hours remaining, 208.503906 MB of memory in use. ENERGY: 4610600 733.7139 2053.3762 1928.5980 111.2756 -206312.0928 17772.6991 0.0000 0.0000 34347.9906 -149364.4394 299.9695 -183712.4300 -149267.5979 298.2041 -53.0856 -15.3589 558149.5716 12.4523 12.5423 PRESSURE: 4610800 -177.627 -1.48876 27.5448 -1.48942 52.1174 103.617 27.5458 103.617 95.7536 GPRESSURE: 4610800 -89.6291 43.5167 65.7762 -24.2738 39.6375 110.766 -64.944 91.0077 120.177 PRESSAVG: 4610800 14.6808 -37.9853 -40.7741 -37.9853 -74.6069 -8.25326 -40.7741 -8.25324 30.8637 GPRESSAVG: 4610800 12.6482 -37.2787 -41.221 -37.8671 -73.8302 -8.68681 -40.6813 -9.41629 31.446 TIMING: 4610800 CPU: 13861.1, 0.00305798/step Wall: 13861.1, 0.00305798/step, 0.330601 hours remaining, 208.503906 MB of memory in use. ENERGY: 4610800 735.8021 2085.0718 1956.3241 109.7417 -206137.9606 17690.9467 0.0000 0.0000 34377.0907 -149182.9837 300.2237 -183560.0743 -149086.3179 299.4638 -9.9187 23.3951 557511.7666 -9.6874 -9.9120 PRESSURE: 4611000 71.5485 122.795 133.554 122.795 127.129 -118.999 133.555 -119 130.227 GPRESSURE: 4611000 143.647 148.045 170.386 61.6083 127.124 -94.724 54.1857 -77.8666 146.165 PRESSAVG: 4611000 14.2337 -30.1976 30.4371 -30.1976 -27.6118 -36.9632 30.4371 -36.9632 27.0798 GPRESSAVG: 4611000 14.1795 -31.1605 30.4147 -31.1872 -28.2149 -37.2814 31.3687 -37.7794 27.8213 TIMING: 4611000 CPU: 13861.7, 0.00303625/step Wall: 13861.7, 0.00303625/step, 0.328084 hours remaining, 208.503906 MB of memory in use. ENERGY: 4611000 754.4869 2063.5583 1945.1790 111.7433 -207063.1897 18356.4974 0.0000 0.0000 34377.3099 -149454.4148 300.2256 -183831.7247 -149361.3063 298.7048 109.6348 138.9789 556216.0736 4.5672 4.5953 PRESSURE: 4611200 17.9713 4.45637 72.4794 4.45789 77.2978 62.6635 72.4795 62.6656 131.451 GPRESSURE: 4611200 75.4903 81.1464 62.6367 -94.7265 117.469 -14.5136 77.734 56.7695 143.278 PRESSAVG: 4611200 -31.4546 -4.71823 27.3252 -4.71819 22.577 -24.8651 27.3252 -24.8651 -1.97662 GPRESSAVG: 4611200 -30.7113 -6.3745 26.7904 -3.32716 22.2037 -23.7125 28.1233 -24.1469 -2.65029 TIMING: 4611200 CPU: 13862.3, 0.00302562/step Wall: 13862.3, 0.00302562/step, 0.326767 hours remaining, 208.503906 MB of memory in use. ENERGY: 4611200 778.5172 2048.7560 1961.3260 104.8886 -206648.1536 18130.9699 0.0000 0.0000 34216.1209 -149407.5748 298.8179 -183623.6957 -149317.9974 298.6152 75.5735 112.0790 556601.4725 -3.6180 -3.7193 PRESSURE: 4611400 -49.2403 -0.721909 41.521 -0.723105 52.0395 -40.4987 41.5198 -40.4991 -6.9859 GPRESSURE: 4611400 -31.0709 7.0197 17.4466 6.10292 70.6561 -63.2936 68.8419 -16.2053 51.0389 PRESSAVG: 4611400 52.6819 -35.8084 -6.08519 -35.8083 42.4294 -0.63313 -6.08523 -0.633237 -58.3667 GPRESSAVG: 4611400 52.3103 -32.843 -7.11594 -36.5733 42.3731 -0.302967 -5.04146 -0.824521 -58.4205 TIMING: 4611400 CPU: 13862.9, 0.00303318/step Wall: 13862.9, 0.00303318/step, 0.327415 hours remaining, 208.503906 MB of memory in use. ENERGY: 4611400 777.6067 2111.1235 1920.5334 117.4120 -206612.3922 17944.5369 0.0000 0.0000 34385.9127 -149355.2671 300.3007 -183741.1798 -149256.6479 298.7186 -1.3956 30.2080 557791.7420 12.2482 12.0876 PRESSURE: 4611600 112.755 -17.968 -85.175 -17.9666 -204.961 -17.9829 -85.1737 -17.9821 10.9943 GPRESSURE: 4611600 118.93 23.3004 -58.119 69.4844 -164.717 -29.9148 -99.6728 -22.4172 61.049 PRESSAVG: 4611600 16.2155 27.9804 23.6337 27.9804 2.78454 -8.74095 23.6337 -8.74097 -22.173 GPRESSAVG: 4611600 16.4003 26.7383 23.593 28.4293 4.09518 -10.0513 22.3489 -9.29293 -23.2707 TIMING: 4611600 CPU: 13863.5, 0.00304257/step Wall: 13863.5, 0.00304257/step, 0.32826 hours remaining, 208.503906 MB of memory in use. ENERGY: 4611600 742.0572 2054.8953 1939.2705 117.6484 -206194.0911 17919.8189 0.0000 0.0000 34075.6939 -149344.7068 297.5915 -183420.4007 -149244.7734 298.8855 -27.0705 5.0873 558099.0784 -1.0577 -0.9251 PRESSURE: 4611800 151.134 -117.473 -22.917 -117.473 178.806 102.353 -22.9161 102.354 135.619 GPRESSURE: 4611800 150.563 -191.858 -61.3007 -37.4635 227.263 100.438 -8.28725 39.3909 178.294 PRESSAVG: 4611800 53.9518 -7.3762 -14.3889 -7.37624 -14.2353 9.33386 -14.389 9.33392 -44.1644 GPRESSAVG: 4611800 52.9629 -7.03568 -13.4673 -7.23028 -14.0126 9.18682 -16.066 9.12199 -43.4485 TIMING: 4611800 CPU: 13864.1, 0.00306089/step Wall: 13864.1, 0.00306089/step, 0.330066 hours remaining, 208.503906 MB of memory in use. ENERGY: 4611800 717.5324 2078.1148 1939.5032 109.8668 -206554.8542 18178.8936 0.0000 0.0000 34391.2893 -149139.6540 300.3477 -183530.9433 -149053.2271 299.2124 155.1863 185.3731 557439.5899 -1.4826 -1.4994 PRESSURE: 4612000 -30.2345 6.40827 8.23037 6.40746 115.901 56.1404 8.23001 56.1406 179.011 GPRESSURE: 4612000 25.258 101.936 -30.5726 -34.3902 165.163 -4.60257 32.1292 143.979 164.198 PRESSAVG: 4612000 48.5455 -31.926 27.443 -31.926 -31.3779 6.0901 27.443 6.0902 -0.408393 GPRESSAVG: 4612000 50.0144 -31.1794 29.2824 -33.1617 -32.9706 6.49689 27.3028 6.23257 0.0503885 TIMING: 4612000 CPU: 13864.7, 0.00304848/step Wall: 13864.7, 0.00304848/step, 0.328559 hours remaining, 208.503906 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: 4612000 704.1400 2082.9266 1921.8573 108.7520 -206083.4282 17787.1861 0.0000 0.0000 34280.9042 -149197.6620 299.3837 -183478.5662 -149092.8560 300.2916 88.2257 118.2064 557836.2351 5.5864 5.6981 PRESSURE: 4612200 -258.189 -216.851 151.013 -216.851 171.183 45.5735 151.013 45.5737 -269.722 GPRESSURE: 4612200 -172.346 -214.103 69.7013 -273.099 137.34 26.621 197.596 32.8808 -229.512 PRESSAVG: 4612200 14.5057 -26.8917 24.2827 -26.8917 41.6366 4.19727 24.2827 4.19734 -58.4037 GPRESSAVG: 4612200 13.6766 -27.2564 21.5296 -27.7395 41.9648 1.83156 25.7512 6.92546 -57.4848 TIMING: 4612200 CPU: 13865.4, 0.00308099/step Wall: 13865.4, 0.00308099/step, 0.331891 hours remaining, 208.503906 MB of memory in use. ENERGY: 4612200 774.8023 2064.2965 1889.7425 112.0634 -206358.3022 17792.9426 0.0000 0.0000 34207.6576 -149516.7973 298.7440 -183724.4549 -149423.1099 298.8437 -118.9094 -88.1727 556896.0641 -0.7538 -0.6145 LDB: ============= START OF LOAD BALANCING ============== 13868.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13868.8 LDB: =============== DONE WITH MIGRATION ================ 13868.8 LDB: ============= START OF LOAD BALANCING ============== 13869.1 LDB: Largest compute 4820 load 0.029525 is 25.0% of average load 0.118114 LDB: Average compute 0.001741 is 1.5% of average load 0.118114 LDB: TIME 13869.1 LOAD: AVG 0.118114 MAX 0.218952 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.02 MB LDB: TIME 13869.1 LOAD: AVG 0.118114 MAX 0.218952 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.02 MB LDB: TIME 13869.1 LOAD: AVG 0.118114 MAX 0.218952 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.02 MB LDB: ============== END OF LOAD BALANCING =============== 13869.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13869.1 PRESSURE: 4612400 60.0157 60.2164 57.1256 60.2164 -38.7496 -202.781 57.126 -202.78 252.162 GPRESSURE: 4612400 139.707 51.5493 90.4004 143.645 -23.334 -142.445 26.8735 -212.204 253.108 PRESSAVG: 4612400 7.84527 15.23 -25.0119 15.23 54.1433 16.511 -25.012 16.511 -25.0201 GPRESSAVG: 4612400 8.7422 14.6991 -25.1962 16.7242 54.9649 20.3063 -25.0957 13.3454 -26.2643 TIMING: 4612400 CPU: 13866, 0.003124/step Wall: 13866, 0.00312399/step, 0.33635 hours remaining, 207.789062 MB of memory in use. ENERGY: 4612400 745.2146 2096.6191 1933.4010 111.2856 -206632.0392 18086.5517 0.0000 0.0000 34278.0525 -149380.9146 299.3588 -183658.9671 -149285.0137 298.4201 91.1426 123.1601 556270.7653 12.3228 12.4809 PRESSURE: 4612600 61.8127 -56.2783 79.2082 -56.2799 166.919 -100.905 79.2077 -100.905 145.809 GPRESSURE: 4612600 79.3923 20.7676 16.4697 -135.324 223.305 -68.5674 149.078 -194.633 172.627 PRESSAVG: 4612600 44.458 -3.355 -27.9636 -3.35515 28.8513 68.5932 -27.9637 68.5934 -87.2219 GPRESSAVG: 4612600 43.0501 -3.03822 -26.871 -3.24744 30.4554 66.2216 -28.7156 70.9735 -87.3455 TIMING: 4612600 CPU: 13866.6, 0.00308277/step Wall: 13866.6, 0.00308277/step, 0.33174 hours remaining, 207.789062 MB of memory in use. ENERGY: 4612600 760.5362 2066.6093 1976.3484 116.0139 -206879.2491 18160.1270 0.0000 0.0000 34340.0620 -149459.5523 299.9003 -183799.6144 -149366.5885 298.6310 124.8469 158.4415 556889.8625 -4.6375 -4.6133 PRESSURE: 4612800 -194.837 -30.0318 -4.04825 -30.0315 -430.232 91.5698 -4.04802 91.5712 64.5046 GPRESSURE: 4612800 -187.721 -57.4643 -41.4405 3.5495 -361.594 35.0434 22.9151 108.472 77.2809 PRESSAVG: 4612800 -40.4218 -15.1244 13.8326 -15.1243 23.483 -4.27561 13.8326 -4.27572 50.4812 GPRESSAVG: 4612800 -39.8954 -14.478 12.4366 -15.9068 22.3422 -3.08585 13.5472 -5.50102 51.2262 TIMING: 4612800 CPU: 13867.2, 0.00304563/step Wall: 13867.2, 0.00304563/step, 0.327574 hours remaining, 207.789062 MB of memory in use. ENERGY: 4612800 764.2667 2089.5476 1919.2071 115.3433 -206184.1244 17665.6355 0.0000 0.0000 34134.0897 -149496.0345 298.1015 -183630.1242 -149400.5148 298.3441 -186.8547 -157.3445 558054.3378 11.1808 11.2243 PRESSURE: 4613000 159.57 -56.4761 -28.9403 -56.4756 -19.3036 -92.7489 -28.9414 -92.7479 -225.815 GPRESSURE: 4613000 191.583 -80.2969 -96.6197 37.0938 -22.377 -183.317 27.2485 -20.4027 -158.591 PRESSAVG: 4613000 -7.2588 -23.8311 -5.90689 -23.8311 6.97387 -38.5357 -5.90681 -38.5356 1.84589 GPRESSAVG: 4613000 -7.36351 -25.3397 -3.68025 -22.5541 7.24529 -39.4246 -4.81233 -37.3541 1.7467 TIMING: 4613000 CPU: 13867.8, 0.00306261/step Wall: 13867.8, 0.00306261/step, 0.329231 hours remaining, 207.789062 MB of memory in use. ENERGY: 4613000 753.2762 2068.8126 1927.8779 118.9653 -206445.6683 18021.1893 0.0000 0.0000 34165.8047 -149389.7422 298.3785 -183555.5469 -149294.0132 298.3291 -28.5161 3.5381 558476.4437 0.5203 0.5428 PRESSURE: 4613200 19.6313 13.6224 8.6868 13.6228 98.4632 -153.111 8.68743 -153.112 -84.5009 GPRESSURE: 4613200 50.5956 15.8813 -38.272 9.31048 141.113 -165.841 -24.7755 -137.908 -62.7563 PRESSAVG: 4613200 -34.7483 71.1885 22.6009 71.1885 76.4633 -23.815 22.6008 -23.8151 -26.5737 GPRESSAVG: 4613200 -35.182 69.86 21.984 70.7305 78.0727 -22.6643 21.4145 -23.7845 -27.2704 TIMING: 4613200 CPU: 13868.4, 0.00310477/step Wall: 13868.4, 0.00310477/step, 0.33359 hours remaining, 207.789062 MB of memory in use. ENERGY: 4613200 746.7139 2100.2943 1937.8773 109.0387 -206224.1821 17726.1630 0.0000 0.0000 34143.6499 -149460.4450 298.1850 -183604.0949 -149367.6459 298.6811 11.1979 42.9842 557955.7904 5.0471 5.2068 PRESSURE: 4613400 -9.21196 124.912 64.1809 124.911 99.1155 35.7063 64.1807 35.706 -16.8957 GPRESSURE: 4613400 54.6278 189.943 104.898 63.732 49.1885 18.7553 17.705 82.3701 59.8871 PRESSAVG: 4613400 -14.4316 -14.3836 8.87495 -14.3837 -5.42106 2.27567 8.87497 2.2757 31.2015 GPRESSAVG: 4613400 -14.3375 -12.8546 7.34478 -15.8207 -7.09771 2.40697 10.9515 2.92538 32.1246 TIMING: 4613400 CPU: 13869.1, 0.00309495/step Wall: 13869.1, 0.00309495/step, 0.332363 hours remaining, 207.789062 MB of memory in use. ENERGY: 4613400 735.0094 2136.4540 1961.2527 117.6633 -205957.5006 17703.6580 0.0000 0.0000 34032.3835 -149271.0796 297.2133 -183303.4632 -149174.3936 298.8342 24.3359 54.5678 556841.5436 3.7829 3.5631 PRESSURE: 4613600 -160.635 40.1711 -190.007 40.1729 -150.76 64.927 -190.008 64.9277 114.703 GPRESSURE: 4613600 -155.868 55.2501 -136.433 -25.5216 -98.9171 88.516 -155.271 49.7642 173.974 PRESSAVG: 4613600 15.0449 72.9219 -8.81228 72.9219 -2.93173 68.892 -8.81234 68.892 22.2376 GPRESSAVG: 4613600 15.3475 71.0207 -6.77399 74.0503 -3.35959 69.0693 -10.3175 68.7625 22.7724 TIMING: 4613600 CPU: 13869.7, 0.00307608/step Wall: 13869.7, 0.00307608/step, 0.330165 hours remaining, 207.789062 MB of memory in use. ENERGY: 4613600 710.5238 2076.1724 1915.3007 100.1063 -205993.8766 17599.9424 0.0000 0.0000 34200.3398 -149391.4912 298.6801 -183591.8310 -149291.2220 298.5494 -65.5639 -26.9369 557904.0575 11.4503 11.5868 PRESSURE: 4613800 -11.9478 -87.8648 -19.8746 -87.8657 -331.389 -45.4974 -19.8765 -45.4994 -244.784 GPRESSURE: 4613800 8.56428 -41.0451 -76.7313 -152.667 -322.406 -55.2451 -23.3048 32.2341 -178.633 PRESSAVG: 4613800 40.0283 51.0637 -20.7738 51.0637 -38.2829 -5.58545 -20.7739 -5.58537 -14.9083 GPRESSAVG: 4613800 40.1595 53.0841 -21.7637 51.7613 -38.0801 -4.47329 -19.7552 -6.23327 -15.3838 TIMING: 4613800 CPU: 13870.3, 0.00307085/step Wall: 13870.3, 0.00307085/step, 0.329434 hours remaining, 207.789062 MB of memory in use. ENERGY: 4613800 771.1289 2111.1590 1937.7041 119.2526 -205997.2732 17684.1236 0.0000 0.0000 34048.2018 -149325.7032 297.3514 -183373.9051 -149229.2083 298.4985 -196.0403 -164.1581 559775.0276 -4.3877 -4.4348 PRESSURE: 4614000 111.7 1.92141 -151.754 1.92162 -40.8742 -0.00134113 -151.753 -0.00304172 13.3619 GPRESSURE: 4614000 129.22 15.37 -133.571 28.0707 -43.6226 42.5238 -170.3 -72.8966 104.745 PRESSAVG: 4614000 42.1006 50.8275 -66.9917 50.8275 -11.5497 -62.8699 -66.9918 -62.87 -24.6985 GPRESSAVG: 4614000 41.4432 48.2944 -65.1372 50.6295 -10.9674 -65.0553 -67.3502 -63.0673 -24.5249 TIMING: 4614000 CPU: 13870.9, 0.00306466/step Wall: 13870.9, 0.00306466/step, 0.3286 hours remaining, 207.789062 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: 4614000 698.7112 2050.4174 1939.2078 110.9965 -206338.4440 17851.3534 0.0000 0.0000 34204.3113 -149483.4464 298.7148 -183687.7577 -149386.0664 298.7176 28.0624 63.4474 558350.6162 1.9508 1.9836 PRESSURE: 4614200 -58.8272 -54.9998 -220.126 -54.9997 45.7771 133.896 -220.127 133.896 -29.022 GPRESSURE: 4614200 -36.7035 -133.514 -279.985 23.4404 86.6027 210.126 -174.669 67.0083 0.315002 PRESSAVG: 4614200 14.153 22.2959 -14.1176 22.2958 -21.9379 34.2288 -14.1176 34.2289 26.25 GPRESSAVG: 4614200 14.4852 26.0557 -15.7436 21.5294 -22.5917 34.9398 -13.7224 35.0984 26.2492 TIMING: 4614200 CPU: 13871.5, 0.00307364/step Wall: 13871.5, 0.00307364/step, 0.329392 hours remaining, 207.789062 MB of memory in use. ENERGY: 4614200 746.6492 2103.3061 1927.2903 105.4634 -206468.8611 17981.8330 0.0000 0.0000 34124.8021 -149479.5168 298.0204 -183604.3189 -149379.5170 298.6845 -14.0240 16.7381 557513.8898 6.1550 6.0475 PRESSURE: 4614400 -24.3043 -25.233 -85.6412 -25.2321 -138.173 -67.4204 -85.642 -67.4193 109.45 GPRESSURE: 4614400 16.9748 -28.5195 -16.985 -23.4952 -90.8837 -41.6425 -77.2625 -98.6934 129.67 PRESSAVG: 4614400 -23.0477 -12.02 -1.76033 -12.02 13.1834 13.1966 -1.76031 13.1965 68.2752 GPRESSAVG: 4614400 -23.6085 -14.2795 -0.94937 -11.3592 13.7365 12.5932 -4.49886 12.8063 68.5019 TIMING: 4614400 CPU: 13872.1, 0.0030766/step Wall: 13872.1, 0.0030766/step, 0.329538 hours remaining, 207.789062 MB of memory in use. ENERGY: 4614400 771.0448 2106.6860 1905.0640 108.3405 -206417.6815 17970.3103 0.0000 0.0000 34162.9978 -149393.2381 298.3540 -183556.2359 -149293.5729 298.9237 -17.6759 18.5869 558660.5843 19.4703 19.5433 PRESSURE: 4614600 -124.484 7.64737 3.33912 7.64786 -2.95077 -101.419 3.33915 -101.419 197.506 GPRESSURE: 4614600 -83.1311 -9.16886 37.8568 -21.062 40.5734 -26.2173 39.0536 -82.2695 206.667 PRESSAVG: 4614600 -73.4521 -30.0354 10.3105 -30.0356 14.5437 -4.20133 10.3105 -4.20126 7.77931 GPRESSAVG: 4614600 -72.4867 -29.0361 11.1029 -31.591 13.3593 -5.55874 11.6104 -3.88156 7.52063 TIMING: 4614600 CPU: 13872.8, 0.0030878/step Wall: 13872.8, 0.0030878/step, 0.330566 hours remaining, 207.789062 MB of memory in use. ENERGY: 4614600 758.2608 2151.9610 1937.0726 121.6960 -206590.1289 18042.8311 0.0000 0.0000 33983.5573 -149594.7500 296.7869 -183578.3073 -149498.5901 298.3912 23.3572 54.7031 558261.5438 -17.0430 -17.2022 PRESSURE: 4614800 19.344 -14.9177 -102.875 -14.9183 120.507 27.8007 -102.874 27.8025 222.524 GPRESSURE: 4614800 -22.5247 -7.88234 -194.236 36.2741 187.105 20.9636 -28.066 143.281 286.725 PRESSAVG: 4614800 2.28448 -63.5261 -17.9859 -63.526 18.4514 17.6391 -17.986 17.639 26.4819 GPRESSAVG: 4614800 2.10543 -65.202 -18.4969 -62.4347 18.7551 19.1573 -18.4159 18.2578 26.8833 TIMING: 4614800 CPU: 13873.4, 0.00305889/step Wall: 13873.4, 0.00305889/step, 0.327301 hours remaining, 207.789062 MB of memory in use. ENERGY: 4614800 755.3308 2063.2997 1928.4910 117.1014 -206398.8392 17931.9188 0.0000 0.0000 34231.6605 -149371.0371 298.9536 -183602.6976 -149274.1771 297.9853 120.7917 150.4350 557776.9433 15.7393 15.9146 PRESSURE: 4615000 199.319 -129.072 115.086 -129.072 126.843 -87.1887 115.087 -87.1885 -3.08924 GPRESSURE: 4615000 255.897 -220.611 171.41 -111.655 173.415 -122.414 143.713 -156.026 6.06245 PRESSAVG: 4615000 5.01846 -50.6124 20.1331 -50.6125 33.8809 -23.3061 20.133 -23.3061 -14.3101 GPRESSAVG: 4615000 4.6925 -48.5779 20.1105 -50.136 33.5331 -22.3421 19.9361 -24.7141 -13.6603 TIMING: 4615000 CPU: 13874, 0.00304603/step Wall: 13874, 0.00304603/step, 0.325755 hours remaining, 207.789062 MB of memory in use. ENERGY: 4615000 771.7012 2121.3384 1967.2280 107.9237 -206658.8685 18136.6355 0.0000 0.0000 34254.1635 -149299.8782 299.1501 -183554.0417 -149212.4677 298.8124 107.6909 145.1247 557776.3865 8.1964 8.1885 PRESSURE: 4615200 64.7109 -54.2335 1.40964 -54.234 -345.779 -16.6174 1.40942 -16.6197 -376.994 GPRESSURE: 4615200 61.8703 60.5918 58.8873 -172.698 -317.617 -54.9265 -35.2608 26.4575 -306.673 PRESSAVG: 4615200 -16.1831 -66.8584 15.9312 -66.8584 -35.0684 11.5145 15.9312 11.5145 27.9309 GPRESSAVG: 4615200 -15.2557 -66.0792 15.7601 -68.4361 -36.2998 9.10969 17.371 13.9303 27.9871 TIMING: 4615200 CPU: 13874.6, 0.00307546/step Wall: 13874.6, 0.00307546/step, 0.328732 hours remaining, 207.789062 MB of memory in use. ENERGY: 4615200 773.1999 2071.3987 1956.9658 115.1968 -205985.0416 17490.6257 0.0000 0.0000 34243.1142 -149334.5406 299.0536 -183577.6547 -149233.4305 299.2139 -219.3541 -187.4735 557585.7399 -7.7735 -7.8561 PRESSURE: 4615400 -163.062 -58.4097 -145.18 -58.4087 -93.3569 -121.839 -145.179 -121.841 11.0511 GPRESSURE: 4615400 -119.208 -32.4149 -174.832 -23.0382 -146.03 -64.5777 -95.015 -110.251 119.019 PRESSAVG: 4615400 29.507 -65.9575 -1.71819 -65.9574 12.8117 -4.32829 -1.71816 -4.32835 -72.2514 GPRESSAVG: 4615400 28.8249 -65.8686 -1.30679 -66.0001 11.9968 -2.90424 -2.44443 -5.69476 -70.9746 TIMING: 4615400 CPU: 13875.2, 0.00302382/step Wall: 13875.2, 0.00302382/step, 0.323045 hours remaining, 207.789062 MB of memory in use. ENERGY: 4615400 773.6002 2096.5539 1933.5609 104.7041 -206082.8829 17778.6868 0.0000 0.0000 34208.3702 -149187.4068 298.7502 -183395.7770 -149093.7876 299.3630 -81.7893 -48.7396 558135.8011 -9.9776 -10.0510 PRESSURE: 4615600 -164.127 -8.91857 -34.9551 -8.91866 143.91 -16.4717 -34.9556 -16.4717 13.9938 GPRESSURE: 4615600 -36.7534 64.6346 14.5085 -5.1217 159.543 -128.651 -103 22.5004 -32.5312 PRESSAVG: 4615600 24.6738 -74.3899 27.8133 -74.3898 -56.1249 23.9732 27.8134 23.9731 32.7208 GPRESSAVG: 4615600 24.5194 -75.0954 26.8662 -72.6451 -54.0562 24.8184 30.3497 22.7259 31.6177 TIMING: 4615600 CPU: 13875.8, 0.00301694/step Wall: 13875.8, 0.00301694/step, 0.322142 hours remaining, 207.789062 MB of memory in use. ENERGY: 4615600 728.6032 2116.9830 1959.9753 127.4199 -206296.0010 17949.3336 0.0000 0.0000 34086.9450 -149326.7409 297.6898 -183413.6860 -149224.6176 298.2026 -2.0743 30.0860 558310.4787 0.4232 0.6936 PRESSURE: 4615800 179.869 -52.2419 -98.6125 -52.2409 -380.483 114.396 -98.6131 114.395 -123.3 GPRESSURE: 4615800 216.669 -7.72166 -128.838 -22.0104 -364.653 126.208 -94.2256 10.5583 -91.524 PRESSAVG: 4615800 -9.91628 -12.8905 14.4443 -12.8904 3.46465 14.405 14.4442 14.405 41.971 GPRESSAVG: 4615800 -8.68948 -14.4012 13.8373 -12.8188 2.37464 13.3001 13.2416 13.9666 42.1386 TIMING: 4615800 CPU: 13876.4, 0.00306195/step Wall: 13876.4, 0.00306195/step, 0.326778 hours remaining, 207.789062 MB of memory in use. ENERGY: 4615800 757.9818 2098.5406 1949.9635 117.6151 -206486.4230 17735.3455 0.0000 0.0000 34454.1666 -149372.8100 300.8968 -183826.9765 -149274.7167 298.8811 -107.9713 -79.8361 557063.1258 11.8398 11.9413 PRESSURE: 4616000 65.032 -94.1667 -160.296 -94.1661 -18.4199 -131.639 -160.295 -131.639 82.4071 GPRESSURE: 4616000 69.3589 -55.2199 -156.048 -131.281 9.30672 -95.3999 -152.575 -54.9939 142.926 PRESSAVG: 4616000 25.7481 22.9169 -70.0946 22.9169 -70.0762 -10.2172 -70.0946 -10.2172 50.3799 GPRESSAVG: 4616000 24.9112 24.1827 -69.3954 20.828 -69.6071 -10.1872 -69.6788 -10.4543 50.5339 TIMING: 4616000 CPU: 13877, 0.00308555/step Wall: 13877, 0.00308555/step, 0.329125 hours remaining, 207.789062 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: 4616000 708.6420 2168.1824 1968.7170 127.3350 -206059.3779 17662.0498 0.0000 0.0000 34079.9162 -149344.5355 297.6284 -183424.4517 -149257.7114 299.4844 43.0064 73.8639 557315.3777 2.0173 1.9460 PRESSURE: 4616200 17.3042 132.24 145.493 132.241 -164.839 -8.88486 145.492 -8.88451 -81.3051 GPRESSURE: 4616200 66.5285 74.0044 212.773 111.519 -102.179 72.1631 94.2835 -44.681 -88.5456 PRESSAVG: 4616200 -28.3678 22.3643 -13.6829 22.3643 41.0081 -30.6135 -13.6829 -30.6136 -19.3756 GPRESSAVG: 4616200 -27.5788 23.1631 -13.5949 24.4521 41.0594 -31.3069 -13.7941 -28.9523 -19.4971 TIMING: 4616200 CPU: 13877.6, 0.00308362/step Wall: 13877.6, 0.00308362/step, 0.328748 hours remaining, 207.789062 MB of memory in use. ENERGY: 4616200 766.7291 2057.3179 1976.8154 123.2238 -206066.6421 17737.7482 0.0000 0.0000 34048.6584 -149356.1494 297.3554 -183404.8078 -149262.5244 298.9904 -76.2800 -41.3988 557562.8423 -2.2451 -2.0055 LDB: ============= START OF LOAD BALANCING ============== 13881.1 LDB: ============== END OF LOAD BALANCING =============== 13881.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13881.1 LDB: ============= START OF LOAD BALANCING ============== 13881.4 LDB: Largest compute 4820 load 0.028944 is 24.5% of average load 0.118116 LDB: Average compute 0.001740 is 1.5% of average load 0.118116 LDB: TIME 13881.4 LOAD: AVG 0.118116 MAX 0.217828 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.766 MB LDB: TIME 13881.4 LOAD: AVG 0.118116 MAX 0.217828 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.766 MB LDB: TIME 13881.4 LOAD: AVG 0.118116 MAX 0.217828 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.766 MB LDB: ============== END OF LOAD BALANCING =============== 13881.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13881.4 PRESSURE: 4616400 -117.162 16.1281 54.5406 16.1281 17.6301 90.9154 54.5421 90.9179 -27.675 GPRESSURE: 4616400 -74.1319 -69.6165 75.6772 87.8514 22.6308 76.3014 68.8917 107.737 17.7542 PRESSAVG: 4616400 4.61587 1.39568 23.8211 1.39562 -42.741 2.33873 23.8211 2.33876 43.1396 GPRESSAVG: 4616400 3.68226 -1.52932 23.7976 2.63967 -40.4906 3.16491 22.5694 0.573302 41.6659 TIMING: 4616400 CPU: 13878.3, 0.00314602/step Wall: 13878.3, 0.00314602/step, 0.335226 hours remaining, 207.277344 MB of memory in use. ENERGY: 4616400 767.2398 2048.6471 1936.5846 111.0588 -206154.0826 17790.4191 0.0000 0.0000 34134.6207 -149365.5123 298.1061 -183500.1331 -149267.2043 298.3944 -42.4023 -11.2490 557577.5738 1.6715 1.6192 PRESSURE: 4616600 -64.3795 77.2441 -11.7798 77.2453 252.136 94.6127 -11.7797 94.6127 -52.5922 GPRESSURE: 4616600 -3.66403 83.4495 -72.4708 85.367 276.244 76.9998 25.7326 111.977 -27.8298 PRESSAVG: 4616600 -23.4405 45.3795 43.4525 45.3796 15.7465 -29.9265 43.4526 -29.9266 43.5045 GPRESSAVG: 4616600 -22.2808 47.4935 45.35 43.9943 14.6816 -30.8977 44.0531 -27.9087 43.6674 TIMING: 4616600 CPU: 13878.9, 0.00305662/step Wall: 13878.9, 0.00305662/step, 0.32553 hours remaining, 207.277344 MB of memory in use. ENERGY: 4616600 768.0196 2088.6685 1953.6633 101.9504 -206293.3889 17905.8256 0.0000 0.0000 34067.0096 -149408.2518 297.5157 -183475.2614 -149316.8873 298.7007 45.0549 81.5834 557223.5340 11.9368 12.0227 PRESSURE: 4616800 23.7326 37.4337 10.7169 37.4336 -189.522 -11.5065 10.7163 -11.5062 89.1619 GPRESSURE: 4616800 57.2041 28.8207 -13.32 66.7244 -144.914 -77.1337 42.977 -20.763 113.556 PRESSAVG: 4616800 13.8299 6.89146 25.6306 6.89144 32.7094 17.5546 25.6306 17.5547 -6.58713 GPRESSAVG: 4616800 14.0833 7.46489 24.9812 5.87593 31.5528 17.4212 24.9753 16.5974 -5.8165 TIMING: 4616800 CPU: 13879.5, 0.00308174/step Wall: 13879.5, 0.00308174/step, 0.328034 hours remaining, 207.277344 MB of memory in use. ENERGY: 4616800 786.1899 2036.9057 1947.8269 113.7266 -206089.5732 17811.8011 0.0000 0.0000 34084.8875 -149308.2355 297.6718 -183393.1230 -149214.7181 299.1880 -25.5426 8.6153 555659.5031 13.3174 13.2732 PRESSURE: 4617000 -231.078 -90.1071 -114.62 -90.1076 42.3664 165.677 -114.621 165.678 -151.251 GPRESSURE: 4617000 -199.872 19.0942 -96.6249 -84.9599 85.8651 162.573 -25.3482 107.851 -129.482 PRESSAVG: 4617000 26.233 13.452 17.2702 13.452 -24.7803 45.5041 17.2701 45.5041 20.5592 GPRESSAVG: 4617000 26.1593 12.9453 16.2629 13.0897 -24.0478 46.1437 17.4254 45.5983 19.5971 TIMING: 4617000 CPU: 13880.1, 0.00307629/step Wall: 13880.1, 0.00307629/step, 0.327283 hours remaining, 207.277344 MB of memory in use. ENERGY: 4617000 721.6148 2112.7200 1899.1555 111.7124 -205964.1707 17468.1303 0.0000 0.0000 34214.9020 -149435.9356 298.8072 -183650.8376 -149332.5439 299.1342 -113.3210 -81.1632 555213.1545 7.3373 7.2362 PRESSURE: 4617200 227.872 -124.817 4.36635 -124.818 194.496 84.3667 4.36631 84.3672 -244.988 GPRESSURE: 4617200 282.34 -42.9936 -20.2613 -224.219 202.257 95.4709 -6.3195 87.2495 -212.982 PRESSAVG: 4617200 44.5 -36.7296 12.2081 -36.7297 -9.98143 9.90622 12.2082 9.90615 -3.79525 GPRESSAVG: 4617200 43.7846 -35.0228 14.6931 -38.4044 -10.4472 7.68858 10.3691 10.0794 -3.45942 TIMING: 4617200 CPU: 13880.7, 0.00308286/step Wall: 13880.7, 0.00308286/step, 0.327811 hours remaining, 207.277344 MB of memory in use. ENERGY: 4617200 734.5164 2128.1625 1908.1710 109.1639 -206382.4975 17799.4544 0.0000 0.0000 34443.2210 -149259.8082 300.8012 -183703.0292 -149157.0746 299.2425 59.1265 90.5383 554964.7981 10.2411 9.9593 PRESSURE: 4617400 -17.7566 -185.165 64.5466 -185.165 -28.7993 34.6921 64.5462 34.6918 -63.0534 GPRESSURE: 4617400 -54.779 -135.288 160.773 -219.218 21.908 37.5044 151.577 33.3071 27.5098 PRESSAVG: 4617400 -24.7303 -30.1874 43.7947 -30.1873 42.3668 31.1848 43.7947 31.1849 -8.93874 GPRESSAVG: 4617400 -25.8836 -29.8964 41.3483 -30.6407 43.3607 33.0625 45.2789 31.3604 -8.89234 TIMING: 4617400 CPU: 13881.3, 0.00307928/step Wall: 13881.3, 0.00307928/step, 0.327259 hours remaining, 207.277344 MB of memory in use. ENERGY: 4617400 743.2774 2102.2480 1942.5004 116.9793 -206525.5716 17858.3260 0.0000 0.0000 34308.4774 -149453.7630 299.6245 -183762.2404 -149360.8144 298.9435 -36.5365 -1.7871 556174.1909 2.8993 2.8616 PRESSURE: 4617600 226.024 -87.4655 60.8169 -87.4657 13.4971 -42.9715 60.8162 -42.9705 156.896 GPRESSURE: 4617600 225.851 -6.30476 66.0308 -17.7582 80.994 -99.5512 45.5346 -90.5411 174.948 PRESSAVG: 4617600 -39.3903 -23.2133 -35.3373 -23.2134 -61.856 19.9867 -35.3373 19.9866 31.3247 GPRESSAVG: 4617600 -38.0516 -25.4508 -35.3158 -20.7182 -63.4101 18.2302 -34.1296 21.1829 32.0345 TIMING: 4617600 CPU: 13882, 0.0030854/step Wall: 13882, 0.0030854/step, 0.327738 hours remaining, 207.277344 MB of memory in use. ENERGY: 4617600 735.2484 2139.8011 1932.9780 117.7898 -206526.6184 17977.2223 0.0000 0.0000 34168.8305 -149454.7482 298.4049 -183623.5787 -149357.4769 298.7953 132.1392 160.5977 556799.8430 -23.3072 -23.1424 PRESSURE: 4617800 -5.35931 78.8136 69.4405 78.8122 -126.938 -1.54585 69.441 -1.54692 54.7374 GPRESSURE: 4617800 65.1584 67.2907 100.567 137.861 -56.5347 21.6026 61.0066 1.65708 21.188 PRESSAVG: 4617800 33.3811 -27.1773 31.9694 -27.1772 -70.4963 -43.8631 31.9695 -43.8631 23.2122 GPRESSAVG: 4617800 32.5697 -26.639 34.187 -26.9601 -69.4493 -43.1151 29.8724 -46.2118 22.9025 TIMING: 4617800 CPU: 13882.6, 0.00306821/step Wall: 13882.6, 0.00306821/step, 0.325741 hours remaining, 207.277344 MB of memory in use. ENERGY: 4617800 727.3586 2071.9046 1947.7602 115.5036 -206579.7055 17803.6783 0.0000 0.0000 34422.5177 -149490.9825 300.6204 -183913.5002 -149395.0271 299.0918 -25.8533 9.9372 556456.4519 -4.6344 -4.6590 PRESSURE: 4618000 191.195 -76.126 -60.5755 -76.1264 -239.178 -91.3553 -60.5761 -91.3561 113.383 GPRESSURE: 4618000 221.438 -21.8453 -58.7176 -63.097 -191.607 18.6569 -51.6804 -132.93 143.583 PRESSAVG: 4618000 17.3382 -7.2554 28.0776 -7.25531 -61.4983 -28.3769 28.0777 -28.377 34.0489 GPRESSAVG: 4618000 19.2137 -7.56013 24.8451 -8.12224 -62.7464 -27.1655 27.805 -29.1865 33.5092 TIMING: 4618000 CPU: 13883.2, 0.00310278/step Wall: 13883.2, 0.00310278/step, 0.329239 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: 4618000 711.6215 2037.1364 1927.3320 120.3151 -206464.9699 17903.4737 0.0000 0.0000 34303.2763 -149461.8149 299.5790 -183765.0912 -149353.8788 298.3271 21.7996 57.8045 557803.6403 -3.3704 -3.3412 PRESSURE: 4618200 -0.358526 -70.1617 -22.0223 -70.162 -172.431 40.9129 -22.023 40.913 -248.591 GPRESSURE: 4618200 -19.9832 15.1467 -158.48 -123.005 -163.185 13.8285 -34.29 35.5498 -146.195 PRESSAVG: 4618200 47.8894 33.8839 -0.630986 33.884 -35.9044 -22.2159 -0.630978 -22.2159 -34.2792 GPRESSAVG: 4618200 46.4999 35.6802 2.22217 32.8673 -35.4768 -24.6568 -0.307637 -20.7725 -34.0395 TIMING: 4618200 CPU: 13883.8, 0.00310472/step Wall: 13883.8, 0.00310472/step, 0.329273 hours remaining, 207.277344 MB of memory in use. ENERGY: 4618200 717.4755 2090.8948 1926.7412 112.3417 -206316.2614 17676.0350 0.0000 0.0000 34421.3603 -149371.4129 300.6103 -183792.7733 -149272.0583 298.1800 -140.4602 -109.7877 558553.4269 -7.4314 -7.6721 PRESSURE: 4618400 46.818 -35.224 62.118 -35.2235 -300.111 -44.2806 62.1178 -44.2809 -247.032 GPRESSURE: 4618400 22.4477 21.1462 59.4802 -116.776 -240.688 -54.4598 -23.9623 -83.0853 -178.831 PRESSAVG: 4618400 43.7929 58.4321 21.6526 58.4321 -48.788 37.4039 21.6525 37.4041 -8.53072 GPRESSAVG: 4618400 43.6312 58.4029 20.6927 59.3001 -48.9911 39.9228 23.2083 37.323 -8.3004 TIMING: 4618400 CPU: 13884.4, 0.00307558/step Wall: 13884.4, 0.00307558/step, 0.326011 hours remaining, 207.277344 MB of memory in use. ENERGY: 4618400 755.8397 2073.3593 1938.8278 121.7448 -206187.2380 17750.2219 0.0000 0.0000 34105.9579 -149441.2865 297.8558 -183547.2445 -149344.2031 299.0307 -166.7749 -132.3571 557135.7276 -4.5086 -4.5535 PRESSURE: 4618600 100.403 120.76 71.7284 120.759 146.366 250.029 71.7286 250.029 -189.855 GPRESSURE: 4618600 160.589 85.6915 58.9696 127.039 160.303 250.81 151.388 206.164 -177.899 PRESSAVG: 4618600 0.373442 9.91066 35.7049 9.91071 13.4354 47.8629 35.7049 47.863 -37.2141 GPRESSAVG: 4618600 0.0190492 8.92128 35.9543 11.4459 14.0499 48.1337 33.5558 47.4547 -37.4314 TIMING: 4618600 CPU: 13885.1, 0.00308101/step Wall: 13885.1, 0.00308101/step, 0.326416 hours remaining, 207.277344 MB of memory in use. ENERGY: 4618600 761.5237 2071.6736 1923.0523 110.4079 -206223.9968 17786.6250 0.0000 0.0000 34080.8466 -149489.8677 297.6365 -183570.7143 -149401.2327 297.7812 18.9717 47.6643 556923.2395 -7.8018 -7.7875 PRESSURE: 4618800 -47.9599 -98.3402 -114.196 -98.3411 -291.088 71.4945 -114.195 71.4939 -26.7432 GPRESSURE: 4618800 -9.0803 -101.883 -116.758 -12.5623 -264.999 93.5707 -165.464 47.9694 10.9271 PRESSAVG: 4618800 49.6597 -5.73964 -21.433 -5.73957 34.5804 10.8356 -21.4329 10.8355 -39.2102 GPRESSAVG: 4618800 48.3014 -4.93764 -22.3596 -8.82388 34.8266 8.76742 -20.0004 11.3367 -37.7082 TIMING: 4618800 CPU: 13885.7, 0.00309224/step Wall: 13885.7, 0.00309224/step, 0.327434 hours remaining, 207.277344 MB of memory in use. ENERGY: 4618800 773.8610 2102.6519 1901.4859 104.8211 -206005.9867 17646.3252 0.0000 0.0000 33832.6883 -149644.1535 295.4693 -183476.8418 -149545.1898 297.7832 -121.9303 -87.7173 558815.2937 15.0100 15.1399 PRESSURE: 4619000 -41.4612 38.9451 56.9139 38.9434 -166.247 -15.9249 56.9132 -15.9246 -3.55768 GPRESSURE: 4619000 -66.7843 39.2712 -21.7408 99.1588 -64.0458 -100.068 87.9746 16.7076 17.9542 PRESSAVG: 4619000 -3.89393 -7.50244 -43.2374 -7.50247 -10.0974 -3.10791 -43.2375 -3.10787 14.0291 GPRESSAVG: 4619000 -3.97566 -9.47111 -42.7681 -5.4379 -10.057 -2.93145 -44.0367 -3.52962 13.5317 TIMING: 4619000 CPU: 13886.3, 0.00306879/step Wall: 13886.3, 0.00306879/step, 0.324781 hours remaining, 207.277344 MB of memory in use. ENERGY: 4619000 733.9494 2106.7149 1927.1618 106.5657 -206536.2172 17820.1182 0.0000 0.0000 34288.0498 -149553.6574 299.4461 -183841.7073 -149456.1386 297.5419 -70.4220 -37.6253 557140.9841 0.0126 -0.1670 PRESSURE: 4619200 -10.3758 164.356 -195.289 164.356 -114.641 120.697 -195.288 120.696 11.4044 GPRESSURE: 4619200 76.3653 200.126 -251.55 196.619 -68.2972 77.5386 -200.836 142.911 -25.8793 PRESSAVG: 4619200 -42.0305 83.0507 19.9054 83.0508 26.5668 20.3203 19.9053 20.3201 -2.53151 GPRESSAVG: 4619200 -40.9468 85.2493 19.9326 80.8244 26.2532 20.8061 20.0009 20.7427 -2.70273 TIMING: 4619200 CPU: 13886.9, 0.00308226/step Wall: 13886.9, 0.00308226/step, 0.326035 hours remaining, 207.277344 MB of memory in use. ENERGY: 4619200 754.7077 2063.8573 1923.4267 116.8634 -206436.1197 17885.3305 0.0000 0.0000 34120.4905 -149571.4437 297.9827 -183691.9341 -149471.6149 298.2003 -37.8710 -5.9371 557287.4688 -5.9984 -5.7988 PRESSURE: 4619400 41.843 -9.71989 59.7007 -9.71956 -60.9302 47.5634 59.7016 47.563 -358.509 GPRESSURE: 4619400 133.942 -11.0043 47.4094 97.8894 -85.0369 151.73 52.2277 28.2286 -314.46 PRESSAVG: 4619400 61.235 96.1455 -33.4661 96.1456 4.62568 -4.11151 -33.4661 -4.11157 -40.6194 GPRESSAVG: 4619400 61.3295 95.6259 -33.5132 96.4185 6.05279 -4.77945 -32.8431 -5.3735 -41.8961 TIMING: 4619400 CPU: 13887.5, 0.00305687/step Wall: 13887.5, 0.00305687/step, 0.323179 hours remaining, 207.277344 MB of memory in use. ENERGY: 4619400 733.0912 1996.2829 1942.1652 104.5432 -206232.7162 17670.3416 0.0000 0.0000 34276.8646 -149509.4274 299.3484 -183786.2920 -149403.9012 297.7083 -125.8653 -88.5183 556651.9833 8.4138 8.4954 PRESSURE: 4619600 -198.955 108.984 115.889 108.984 185.159 124.435 115.889 124.434 80.7387 GPRESSURE: 4619600 -171.557 182.389 -2.49952 170.582 185.637 69.3687 187.95 177.672 151.551 PRESSAVG: 4619600 3.36008 25.8669 46.287 25.8669 36.4448 17.3157 46.287 17.3157 -29.1779 GPRESSAVG: 4619600 4.28765 25.451 45.1989 27.4178 34.4847 18.5872 45.6912 17.1215 -28.7475 TIMING: 4619600 CPU: 13888.1, 0.00304091/step Wall: 13888.1, 0.00304091/step, 0.321323 hours remaining, 207.277344 MB of memory in use. ENERGY: 4619600 768.0397 2054.8455 1945.9496 113.1503 -206520.5752 17884.5374 0.0000 0.0000 34183.3865 -149570.6660 298.5320 -183754.0526 -149476.3688 297.9971 22.3144 55.2104 557042.7407 3.5423 3.3416 PRESSURE: 4619800 -182.779 169.906 -157.722 169.907 -82.2659 209.49 -157.723 209.491 103.996 GPRESSURE: 4619800 -143.517 171.506 -98.6063 157.611 -31.5096 164.41 -171.09 143.715 134.336 PRESSAVG: 4619800 -40.2788 25.5344 62.6497 25.5346 10.3934 43.7144 62.6496 43.7144 28.9256 GPRESSAVG: 4619800 -40.1161 26.555 62.1359 22.0443 9.98352 43.2331 64.2772 44.4978 29.64 TIMING: 4619800 CPU: 13888.7, 0.00303407/step Wall: 13888.7, 0.00303407/step, 0.320432 hours remaining, 207.277344 MB of memory in use. ENERGY: 4619800 757.7930 2013.0868 1931.9571 96.8783 -206579.5823 17926.0499 0.0000 0.0000 34238.3112 -149615.5059 299.0117 -183853.8171 -149518.1918 298.5375 -53.6830 -13.5635 556652.3097 -0.3199 -0.1642 PRESSURE: 4620000 6.01731 5.47211 -38.045 5.47184 -171.612 11.4003 -38.0447 11.4013 10.6116 GPRESSURE: 4620000 66.3857 -20.1225 -23.9668 -4.32439 -161.069 76.5417 -88.9616 41.2325 49.6048 PRESSAVG: 4620000 -45.5209 13.2272 -48.0034 13.2273 -3.49188 30.4489 -48.0033 30.4489 24.1973 GPRESSAVG: 4620000 -46.0013 12.697 -44.8536 15.7725 -2.01413 30.5198 -53.0932 29.9849 23.6375 TIMING: 4620000 CPU: 13889.3, 0.00305422/step Wall: 13889.3, 0.00305422/step, 0.32239 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: 4620000 744.9633 2035.9108 1912.1862 107.7320 -206498.0554 17992.9569 0.0000 0.0000 34164.5055 -149539.8007 298.3671 -183704.3062 -149443.9196 298.0583 -51.6612 -15.0263 558402.7373 -8.2718 -8.1260 PRESSURE: 4620200 9.05307 185.487 32.0425 185.488 11.8364 -72.3333 32.0422 -72.3317 -42.8359 GPRESSURE: 4620200 17.7145 18.1597 77.2601 191.513 57.9907 -69.1524 57.1003 -79.4695 -4.04708 PRESSAVG: 4620200 -3.72441 -2.60044 7.30152 -2.60044 -32.1217 -63.8297 7.3016 -63.8296 0.74577 GPRESSAVG: 4620200 -3.64708 -3.71416 6.68907 -1.92277 -32.59 -64.7479 9.72943 -63.5964 1.2718 TIMING: 4620200 CPU: 13889.9, 0.00302733/step Wall: 13889.9, 0.00302733/step, 0.319383 hours remaining, 207.277344 MB of memory in use. ENERGY: 4620200 736.6705 2061.8969 1924.5652 112.6729 -206536.7235 17910.4688 0.0000 0.0000 34203.8513 -149586.5978 298.7107 -183790.4491 -149490.7086 297.7291 -7.3155 23.8860 556157.9330 -11.7001 -11.6551 LDB: ============= START OF LOAD BALANCING ============== 13893.4 LDB: ============== END OF LOAD BALANCING =============== 13893.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13893.4 LDB: ============= START OF LOAD BALANCING ============== 13893.7 LDB: Largest compute 4820 load 0.029499 is 25.0% of average load 0.118100 LDB: Average compute 0.001741 is 1.5% of average load 0.118100 LDB: TIME 13893.7 LOAD: AVG 0.1181 MAX 0.216928 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 13893.7 LOAD: AVG 0.1181 MAX 0.216928 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.996 MB LDB: TIME 13893.7 LOAD: AVG 0.1181 MAX 0.216928 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.996 MB LDB: ============== END OF LOAD BALANCING =============== 13893.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13893.7 PRESSURE: 4620400 27.3267 -62.0447 -210.144 -62.0452 -357.844 26.2306 -210.144 26.2317 278.635 GPRESSURE: 4620400 124.912 -157.999 -166.517 -12.6566 -339.669 87.7265 -155.211 26.1943 256.489 PRESSAVG: 4620400 21.4359 -34.534 29.2806 -34.534 32.7672 -52.0312 29.2805 -52.0312 -21.9697 GPRESSAVG: 4620400 21.5593 -32.1503 29.3242 -35.8085 32.6837 -51.4044 28.5524 -50.7301 -21.9287 TIMING: 4620400 CPU: 13890.6, 0.00312073/step Wall: 13890.6, 0.00312073/step, 0.329063 hours remaining, 208.300781 MB of memory in use. ENERGY: 4620400 718.3236 2059.8167 1958.8913 117.2351 -206158.7167 17797.0794 0.0000 0.0000 33935.7670 -149571.6036 296.3695 -183507.3706 -149468.3272 298.1718 -17.2941 13.9105 558235.5965 10.7445 10.7714 PRESSURE: 4620600 -256.641 -40.9022 251.06 -40.903 -132.263 -40.4567 251.061 -40.4558 106.128 GPRESSURE: 4620600 -237.838 -8.67438 173.829 -47.006 -114.136 -117.34 295.834 -17.6919 167.421 PRESSAVG: 4620600 -7.35188 -16.9012 -22.9215 -16.9012 -32.4554 32.9903 -22.9216 32.9904 -30.2251 GPRESSAVG: 4620600 -8.1849 -15.6409 -23.5955 -18.632 -32.352 31.7069 -22.024 33.4738 -29.7835 TIMING: 4620600 CPU: 13891.2, 0.00306486/step Wall: 13891.2, 0.00306486/step, 0.323003 hours remaining, 208.503906 MB of memory in use. ENERGY: 4620600 722.1216 2111.7891 1908.9615 100.6088 -206265.9053 17704.8556 0.0000 0.0000 34321.4142 -149396.1545 299.7374 -183717.5688 -149305.5483 298.3650 -94.2584 -61.5175 558032.5095 -23.3441 -23.4401 PRESSURE: 4620800 167.893 58.5344 59.9312 58.5356 -99.2738 -101.158 59.9309 -101.159 -284.185 GPRESSURE: 4620800 174.972 38.4974 3.72662 78.4534 -59.5441 -72.1606 78.4413 -65.9504 -234.154 PRESSAVG: 4620800 14.9247 53.6777 29.4448 53.6777 6.9028 -20.3093 29.4448 -20.3093 -14.0227 GPRESSAVG: 4620800 15.0667 52.0111 27.9731 55.9331 8.10035 -18.4512 28.6766 -22.7045 -15.351 TIMING: 4620800 CPU: 13891.8, 0.00306914/step Wall: 13891.8, 0.00306914/step, 0.323282 hours remaining, 208.503906 MB of memory in use. ENERGY: 4620800 716.2056 2070.6454 1947.8713 110.4811 -206064.9477 17672.0042 0.0000 0.0000 34179.7542 -149367.9860 298.5003 -183547.7401 -149276.1723 298.4069 -71.8551 -39.5754 557753.1474 2.6016 2.6053 PRESSURE: 4621000 -246.6 187.31 -116.86 187.31 -108.689 45.1863 -116.861 45.1868 -46.7775 GPRESSURE: 4621000 -160.238 148.138 -110.286 184.441 -113.255 -95.5435 -155.558 153.766 -11.3967 PRESSAVG: 4621000 9.66097 51.0832 -29.0016 51.0833 -2.34302 -31.3701 -29.0016 -31.3699 -67.4265 GPRESSAVG: 4621000 11.2061 51.8105 -27.4882 50.6445 -3.83163 -31.3021 -29.4699 -31.0397 -66.9122 TIMING: 4621000 CPU: 13892.4, 0.00302244/step Wall: 13892.4, 0.00302244/step, 0.318195 hours remaining, 208.503906 MB of memory in use. ENERGY: 4621000 743.2986 2070.2468 1951.7351 116.7125 -206305.4937 17819.3996 0.0000 0.0000 34144.8532 -149459.2479 298.1955 -183604.1012 -149355.6883 299.2923 -134.0224 -94.9630 557940.8182 -20.0362 -19.8459 PRESSURE: 4621200 -133.294 117.854 215.048 117.853 -179.78 139.099 215.047 139.099 -156.202 GPRESSURE: 4621200 -175.658 58.6827 229.157 129.327 -70.9079 112.274 195.298 160.351 -121.404 PRESSAVG: 4621200 -13.6665 21.3666 30.1948 21.3667 24.4424 -2.78571 30.195 -2.78567 -34.6025 GPRESSAVG: 4621200 -15.4729 18.3273 30.3037 22.1091 25.5963 -3.81213 31.5047 -2.07109 -34.1392 TIMING: 4621200 CPU: 13893, 0.00303698/step Wall: 13893, 0.00303698/step, 0.319558 hours remaining, 208.503906 MB of memory in use. ENERGY: 4621200 717.7954 2095.6613 1923.2207 115.1494 -206039.4758 17471.0080 0.0000 0.0000 34317.9187 -149398.7222 299.7069 -183716.6410 -149302.2391 298.8239 -156.4253 -122.6567 557089.5961 -7.9422 -8.0053 PRESSURE: 4621400 344.382 63.91 -97.749 63.9095 166.538 -89.8543 -97.7511 -89.854 233.309 GPRESSURE: 4621400 378.732 67.1292 -103.015 71.3417 198.162 -103.385 -37.1106 -12.1047 276.188 PRESSAVG: 4621400 20.8926 9.21642 -13.0962 9.21648 -7.22498 -12.5361 -13.0962 -12.5361 -25.6014 GPRESSAVG: 4621400 21.4932 10.3193 -14.5043 9.71527 -7.05 -11.5091 -13.2599 -13.5131 -26.3236 TIMING: 4621400 CPU: 13893.6, 0.00307788/step Wall: 13893.6, 0.00307788/step, 0.323691 hours remaining, 208.503906 MB of memory in use. ENERGY: 4621400 775.0776 2086.6116 1971.1545 119.5989 -206632.6815 18142.3028 0.0000 0.0000 34222.2992 -149315.6371 298.8719 -183537.9363 -149223.2376 299.1439 248.0764 284.3608 556393.6618 -3.9779 -3.9601 PRESSURE: 4621600 -10.3163 -54.9687 -115.488 -54.9695 221.156 87.2822 -115.488 87.2823 36.269 GPRESSURE: 4621600 76.0302 -146.309 -122.896 -7.23478 219.586 111.508 -138.017 51.5668 47.9052 PRESSAVG: 4621600 -10.7631 -10.9991 1.6375 -10.9992 -21.7494 -48.5785 1.63746 -48.5785 -1.1591 GPRESSAVG: 4621600 -11.1085 -10.9406 2.88948 -10.3278 -22.3753 -48.9769 0.679133 -47.2747 -0.35226 TIMING: 4621600 CPU: 13894.2, 0.00305562/step Wall: 13894.2, 0.00305561/step, 0.321179 hours remaining, 208.503906 MB of memory in use. ENERGY: 4621600 734.9512 2123.1473 1936.9529 114.8462 -206480.9647 17928.4043 0.0000 0.0000 34386.8180 -149255.8448 300.3086 -183642.6628 -149158.4766 299.5291 82.3697 114.5071 557054.0338 -11.2238 -11.2787 PRESSURE: 4621800 -225.529 139.646 -53.8023 139.646 -372.429 -74.9439 -53.8018 -74.9443 -400.359 GPRESSURE: 4621800 -158.576 131.576 -110.378 88.2531 -354.387 -124.303 -69.4428 -92.5 -382.853 PRESSAVG: 4621800 53.5459 -18.6507 -41.8472 -18.6507 -31.2701 -58.5993 -41.8473 -58.5995 -24.426 GPRESSAVG: 4621800 52.4348 -18.2406 -42.4887 -19.543 -30.4509 -59.3287 -38.5077 -60.8542 -23.8231 TIMING: 4621800 CPU: 13894.8, 0.00304456/step Wall: 13894.8, 0.00304456/step, 0.319848 hours remaining, 208.503906 MB of memory in use. ENERGY: 4621800 744.7500 2111.0976 1929.8984 104.7191 -205738.4832 17472.8167 0.0000 0.0000 34108.3713 -149266.8301 297.8769 -183375.2013 -149171.1717 299.2715 -332.7722 -298.6051 559377.3538 -0.7167 -0.6130 PRESSURE: 4622000 -10.0745 165.253 33.5112 165.254 12.7752 -4.51979 33.5106 -4.51937 -299.814 GPRESSURE: 4622000 -13.3114 79.6443 31.7022 150.293 25.0485 13.6191 99.3611 11.534 -204.781 PRESSAVG: 4622000 49.724 25.2995 28.929 25.2995 14.997 -11.6414 28.9291 -11.6413 -84.3013 GPRESSAVG: 4622000 49.8392 25.3675 28.7346 24.8596 14.7298 -10.3043 28.6441 -10.2387 -84.2936 TIMING: 4622000 CPU: 13895.5, 0.00307338/step Wall: 13895.5, 0.00307338/step, 0.322705 hours remaining, 208.503906 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: 4622000 730.5499 2044.3333 1939.4549 113.2838 -206001.2062 17576.6103 0.0000 0.0000 34463.5597 -149133.4144 300.9788 -183596.9740 -149031.1990 299.6194 -99.0379 -64.3480 556230.7778 -6.5268 -6.5749 PRESSURE: 4622200 297.325 9.23393 143.208 9.23314 326.955 -9.70751 143.207 -9.70673 491.866 GPRESSURE: 4622200 349.505 64.1317 125.434 -156.907 340.999 28.9588 148.605 -28.5133 521.446 PRESSAVG: 4622200 51.4982 -4.99976 32.3853 -4.99978 -28.3188 -18.1321 32.3854 -18.132 -34.3566 GPRESSAVG: 4622200 52.9598 -4.77215 32.916 -5.22397 -29.7023 -19.1765 30.0312 -16.9465 -34.229 TIMING: 4622200 CPU: 13896.1, 0.00303204/step Wall: 13896.1, 0.00303204/step, 0.318196 hours remaining, 208.503906 MB of memory in use. ENERGY: 4622200 711.9427 2050.2144 1945.5185 114.4213 -206730.7600 18323.1945 0.0000 0.0000 34364.1468 -149221.3218 300.1106 -183585.4685 -149120.6818 299.3439 372.0486 403.9831 555050.6762 -3.7257 -3.6572 PRESSURE: 4622400 -63.1918 28.5869 -39.4485 28.5883 -85.392 -123.915 -39.4487 -123.914 -42.2253 GPRESSURE: 4622400 -9.96918 48.7207 13.9298 11.0774 -72.253 -91.1107 -29.3213 -90.61 -22.2697 PRESSAVG: 4622400 -5.81077 50.3703 19.5387 50.3703 -34.532 -70.5098 19.5388 -70.5098 85.2885 GPRESSAVG: 4622400 -6.98409 49.8845 20.716 52.3906 -33.6747 -72.0385 19.2242 -69.8611 85.7869 TIMING: 4622400 CPU: 13896.7, 0.00303497/step Wall: 13896.7, 0.00303497/step, 0.318335 hours remaining, 208.503906 MB of memory in use. ENERGY: 4622400 752.5475 2123.8237 1943.9853 106.6633 -205794.9972 17490.1449 0.0000 0.0000 34266.4361 -149111.3964 299.2573 -183377.8325 -149013.7763 299.4921 -63.6030 -34.8306 556224.7381 14.9819 15.0427 PRESSURE: 4622600 -226.91 -122.705 43.9277 -122.705 -74.815 235.632 43.9292 235.633 0.818701 GPRESSURE: 4622600 -208.923 -131.169 59.1991 -100.027 34.4014 139.934 -53.7905 269.761 -17.3799 PRESSAVG: 4622600 -28.511 21.9012 22.1721 21.9012 13.7006 56.2644 22.1721 56.2644 -20.5423 GPRESSAVG: 4622600 -27.745 22.9096 20.424 19.7569 14.4427 57.5187 22.5784 53.9693 -22.4042 TIMING: 4622600 CPU: 13897.3, 0.00304844/step Wall: 13897.3, 0.00304844/step, 0.319578 hours remaining, 208.503906 MB of memory in use. ENERGY: 4622600 768.3102 2053.7659 1943.5418 124.1875 -206092.3007 17705.9200 0.0000 0.0000 34415.4371 -149081.1382 300.5586 -183496.5753 -148989.1027 299.7651 -100.3021 -63.9672 558076.3996 -11.7843 -11.9022 PRESSURE: 4622800 -206.851 97.4179 -45.1453 97.4185 -157.365 90.0097 -45.1434 90.0082 -336.625 GPRESSURE: 4622800 -187.92 106.235 10.3713 107.538 -105.28 109.676 -86.3981 41.2928 -297.714 PRESSAVG: 4622800 72.5563 17.4251 -22.9668 17.4251 19.4843 46.5808 -22.9667 46.5809 -74.986 GPRESSAVG: 4622800 72.8907 16.9135 -25.5011 18.7516 19.6619 46.2196 -22.8655 46.7871 -74.8864 TIMING: 4622800 CPU: 13897.9, 0.0030616/step Wall: 13897.9, 0.0030616/step, 0.320787 hours remaining, 208.503906 MB of memory in use. ENERGY: 4622800 760.7189 2055.3046 1920.5831 111.1815 -205626.5948 17379.1576 0.0000 0.0000 34170.9972 -149228.6519 298.4238 -183399.6490 -149123.3731 299.2362 -233.6135 -196.9713 557680.4076 5.6849 5.8887 PRESSURE: 4623000 8.71868 -76.0803 -65.499 -76.0795 -177.026 71.2322 -65.4979 71.2307 -225.06 GPRESSURE: 4623000 40.8378 -68.224 -38.5759 -32.817 -94.8646 115.732 -18.8681 15.5863 -238.793 PRESSAVG: 4623000 20.6033 14.5905 40.9579 14.5905 -6.1256 26.8605 40.9579 26.8605 -58.8977 GPRESSAVG: 4623000 20.6092 15.7897 43.6238 14.3754 -7.73413 26.7812 40.1739 28.0045 -57.4961 TIMING: 4623000 CPU: 13898.5, 0.00307121/step Wall: 13898.5, 0.00307121/step, 0.321624 hours remaining, 208.503906 MB of memory in use. ENERGY: 4623000 759.3539 2064.4380 1916.0132 116.5994 -206185.6218 17763.5471 0.0000 0.0000 34318.9187 -149246.7516 299.7157 -183565.6703 -149154.3221 298.8431 -131.1225 -97.6065 557471.7097 -14.8066 -14.8737 PRESSURE: 4623200 -31.6733 193.182 -77.9068 193.182 -89.2019 156.38 -77.9051 156.381 -214.842 GPRESSURE: 4623200 4.18339 192.509 -64.8633 210.16 -55.8385 120.503 -57.9675 27.6092 -201.775 PRESSAVG: 4623200 -48.8704 35.9032 33.9395 35.9033 -42.6639 -8.78746 33.9395 -8.78754 47.0607 GPRESSAVG: 4623200 -48.3865 33.9479 35.546 34.8626 -41.8312 -8.25538 33.6004 -11.3121 45.6557 TIMING: 4623200 CPU: 13899.1, 0.00305274/step Wall: 13899.1, 0.00305274/step, 0.319521 hours remaining, 208.503906 MB of memory in use. ENERGY: 4623200 730.9718 2112.2419 1934.7566 117.4083 -205749.6250 17509.7596 0.0000 0.0000 34264.7346 -149079.7522 299.2424 -183344.4868 -148985.7008 299.3274 -111.9057 -84.4767 557282.5964 -14.8245 -14.8540 PRESSURE: 4623400 -99.0926 29.9764 73.7409 29.9756 -80.3942 -38.9819 73.7393 -38.9826 -55.9802 GPRESSURE: 4623400 -74.3736 64.9018 3.65356 47.0268 -34.5909 20.0398 112.677 -63.6157 -30.6991 PRESSAVG: 4623400 2.39337 22.4503 -38.3912 22.4503 8.60842 -22.4546 -38.3912 -22.4547 -6.00719 GPRESSAVG: 4623400 2.44113 25.4438 -38.664 22.0241 8.75834 -23.0782 -38.6298 -21.6114 -6.46146 TIMING: 4623400 CPU: 13899.7, 0.003054/step Wall: 13899.7, 0.003054/step, 0.319482 hours remaining, 208.503906 MB of memory in use. ENERGY: 4623400 743.5409 2031.3891 1943.5955 110.9946 -205690.2001 17494.6885 0.0000 0.0000 34271.6338 -149094.3576 299.3027 -183365.9915 -148992.3322 299.7508 -78.4890 -46.5545 557380.4214 1.6649 1.5793 PRESSURE: 4623600 50.3503 81.8692 17.0098 81.8697 -33.8694 73.8958 17.0082 73.8949 -56.2686 GPRESSURE: 4623600 110.66 64.5736 79.3499 136.205 -6.53629 47.5467 47.9203 143.84 -50.1398 PRESSAVG: 4623600 -18.6242 17.3332 -43.0988 17.3332 31.8193 -7.34663 -43.0988 -7.34669 -5.41273 GPRESSAVG: 4623600 -18.7906 16.0974 -42.4737 19.456 31.499 -8.14559 -42.424 -5.54539 -4.79328 TIMING: 4623600 CPU: 13900.3, 0.0030641/step Wall: 13900.3, 0.0030641/step, 0.320369 hours remaining, 208.503906 MB of memory in use. ENERGY: 4623600 713.1594 2063.5959 1908.9884 113.7089 -205955.3479 17684.4707 0.0000 0.0000 34442.1930 -149029.2314 300.7922 -183471.4244 -148927.4989 299.7723 -13.2625 17.9945 557614.5207 2.5941 2.6384 PRESSURE: 4623800 26.609 122.734 -39.3751 122.734 -28.5368 -54.8389 -39.374 -54.8378 -348.057 GPRESSURE: 4623800 27.6639 164.108 105.553 116.348 24.4104 -154.85 -125.071 6.1699 -305.877 PRESSAVG: 4623800 -15.7823 -4.77516 -12.4797 -4.77502 85.0749 -1.63794 -12.4798 -1.63786 -61.5072 GPRESSAVG: 4623800 -15.9385 -5.89672 -11.8225 -6.34646 85.9234 -1.33925 -13.0232 -1.91958 -62.2874 TIMING: 4623800 CPU: 13901, 0.00306698/step Wall: 13901, 0.00306698/step, 0.320499 hours remaining, 208.503906 MB of memory in use. ENERGY: 4623800 741.8410 2092.4728 1939.9490 107.9872 -205753.1008 17549.0802 0.0000 0.0000 34331.8896 -148989.8810 299.8289 -183321.7707 -148888.5911 300.1486 -116.6615 -84.6010 557545.6684 2.5952 2.5659 PRESSURE: 4624000 -286.624 60.1867 -34.6125 60.1865 -178.078 -20.7948 -34.6133 -20.7932 248.485 GPRESSURE: 4624000 -234.808 42.4185 -53.4063 133.924 -140.66 -51.2629 -69.5665 35.3978 264.172 PRESSAVG: 4624000 -0.397227 20.2176 -22.8856 20.2176 10.0628 -32.7058 -22.8856 -32.7057 -0.234163 GPRESSAVG: 4624000 -0.0138923 20.7299 -25.5854 21.5414 9.59287 -31.5498 -22.3839 -33.1426 -0.408984 TIMING: 4624000 CPU: 13901.6, 0.00307188/step Wall: 13901.6, 0.00307188/step, 0.320841 hours remaining, 208.503906 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: 4624000 736.1764 2104.2007 1912.9032 101.5119 -206050.5050 17636.9002 0.0000 0.0000 34614.6203 -148944.1922 302.2981 -183558.8125 -148846.6335 300.1350 -72.0724 -37.0987 556816.0829 3.1438 3.0567 PRESSURE: 4624200 129.179 25.5124 -199.758 25.5133 -121.591 77.2238 -199.759 77.2268 102.461 GPRESSURE: 4624200 154.087 28.2879 -135.006 -86.1825 -64.836 71.8356 -178.193 114.007 137.479 PRESSAVG: 4624200 -8.98386 1.94705 -3.21329 1.94707 -17.6939 2.73898 -3.21328 2.73903 15.7932 GPRESSAVG: 4624200 -9.86039 3.95046 -1.84309 0.447947 -16.9202 4.20722 -2.82902 3.19257 15.9229 TIMING: 4624200 CPU: 13902.2, 0.00304383/step Wall: 13902.2, 0.00304383/step, 0.317742 hours remaining, 208.503906 MB of memory in use. ENERGY: 4624200 774.0886 2063.1010 1923.5824 103.5029 -206523.2048 17930.8712 0.0000 0.0000 34594.9226 -149133.1362 302.1261 -183728.0588 -149035.0126 300.2167 36.6830 75.5767 556378.4713 -3.6282 -3.6192 LDB: ============= START OF LOAD BALANCING ============== 13905.6 LDB: ============== END OF LOAD BALANCING =============== 13905.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13905.6 LDB: ============= START OF LOAD BALANCING ============== 13905.9 LDB: Largest compute 4820 load 0.027775 is 23.5% of average load 0.118130 LDB: Average compute 0.001737 is 1.5% of average load 0.118130 LDB: TIME 13905.9 LOAD: AVG 0.11813 MAX 0.215459 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.047 MB LDB: TIME 13905.9 LOAD: AVG 0.11813 MAX 0.215459 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.047 MB LDB: TIME 13905.9 LOAD: AVG 0.11813 MAX 0.215459 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13905.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13905.9 PRESSURE: 4624400 338.282 -29.8527 122.457 -29.8522 250.044 -175.198 122.456 -175.198 -3.11892 GPRESSURE: 4624400 385.217 -62.0648 5.11364 -41.6201 267.813 -151.398 177.559 -111.077 28.4214 PRESSAVG: 4624400 5.37896 15.8829 -3.77228 15.8828 2.5148 -25.1991 -3.7723 -25.1992 16.58 GPRESSAVG: 4624400 5.03691 13.2249 -3.83159 15.6053 1.41083 -26.5214 -4.76652 -26.0812 16.9345 TIMING: 4624400 CPU: 13902.8, 0.00309511/step Wall: 13902.8, 0.00309511/step, 0.322923 hours remaining, 207.277344 MB of memory in use. ENERGY: 4624400 756.6113 2112.8882 1942.9714 106.0550 -206524.7891 18056.9176 0.0000 0.0000 34292.4256 -149256.9199 299.4843 -183549.3455 -149166.8208 299.1929 195.0688 227.1508 555257.7006 8.1579 7.7941 PRESSURE: 4624600 -150.271 -5.64028 172.965 -5.63886 -74.6231 47.4925 172.966 47.493 -54.8646 GPRESSURE: 4624600 -150.292 -63.2078 119.046 51.5324 -52.2529 50.6727 146.414 -60.0773 27.1844 PRESSAVG: 4624600 -4.81251 -17.6965 25.5708 -17.6964 -16.488 -6.98344 25.5708 -6.9836 36.1266 GPRESSAVG: 4624600 -4.31206 -17.1506 25.1384 -15.8286 -16.2113 -6.49152 26.2919 -9.08522 35.0491 TIMING: 4624600 CPU: 13903.4, 0.00301503/step Wall: 13903.4, 0.00301503/step, 0.3144 hours remaining, 207.476562 MB of memory in use. ENERGY: 4624600 770.1650 2044.1897 1942.9104 113.8097 -206015.7381 17760.9074 0.0000 0.0000 34137.5839 -149246.1719 298.1320 -183383.7558 -149154.4919 299.3951 -93.2529 -58.4536 556975.5659 4.9420 4.8419 PRESSURE: 4624800 -217.661 -163.986 64.4173 -163.987 21.7605 103.214 64.417 103.214 51.2518 GPRESSURE: 4624800 -193.33 -77.0342 18.5521 -124.222 17.2506 72.8629 126.122 109.07 113.576 PRESSAVG: 4624800 -3.97764 -8.94105 0.682726 -8.94111 -15.3466 46.5019 0.682701 46.5018 36.722 GPRESSAVG: 4624800 -4.52295 -6.98829 -1.3138 -10.4947 -15.963 45.7202 1.87188 48.9362 38.1617 TIMING: 4624800 CPU: 13904, 0.00303828/step Wall: 13904, 0.00303828/step, 0.316657 hours remaining, 207.476562 MB of memory in use. ENERGY: 4624800 758.6665 2067.7279 1940.5041 111.2958 -206109.1350 17584.0293 0.0000 0.0000 34430.5608 -149216.3505 300.6907 -183646.9113 -149114.9743 299.1677 -48.2162 -20.8346 556043.4233 5.7993 5.8919 PRESSURE: 4625000 80.7572 -124.639 -18.8461 -124.639 148.005 104.218 -18.8467 104.216 -93.0351 GPRESSURE: 4625000 146.133 -109.117 -41.8779 -139.423 133.506 96.5742 -6.96488 70.0579 -42.9061 PRESSAVG: 4625000 -0.0190171 -50.0478 52.7131 -50.0479 -4.71916 6.90869 52.7131 6.90871 36.7754 GPRESSAVG: 4625000 -1.46873 -51.7917 54.2438 -50.8355 -3.52586 8.67472 51.34 5.80249 36.234 TIMING: 4625000 CPU: 13904.6, 0.00305243/step Wall: 13904.6, 0.00305243/step, 0.317961 hours remaining, 207.476562 MB of memory in use. ENERGY: 4625000 749.4909 2040.1616 1986.1154 114.3163 -206293.1524 17905.3316 0.0000 0.0000 34248.9080 -149248.8286 299.1042 -183497.7367 -149148.8044 299.0005 45.2422 78.9110 558229.2552 10.6791 10.4131 PRESSURE: 4625200 108.927 -3.43608 -195.174 -3.43585 151.691 7.49333 -195.173 7.49205 220.296 GPRESSURE: 4625200 170.284 -81.2191 -47.1559 68.2942 120.327 -18.0774 -233.044 22.1466 300.164 PRESSAVG: 4625200 15.6939 -27.5187 20.9468 -27.5186 41.7649 18.5063 20.9467 18.5063 -57.79 GPRESSAVG: 4625200 17.0155 -26.1824 21.5623 -26.3352 41.5006 17.4376 18.3757 17.0041 -58.4955 TIMING: 4625200 CPU: 13905.2, 0.00306695/step Wall: 13905.2, 0.00306695/step, 0.319304 hours remaining, 207.476562 MB of memory in use. ENERGY: 4625200 703.0443 2080.8613 1916.5781 112.8342 -206258.5761 17855.0243 0.0000 0.0000 34375.0336 -149215.2004 300.2057 -183590.2340 -149120.8789 299.3862 160.3047 196.9253 556918.3809 -0.1104 0.0069 PRESSURE: 4625400 241.865 -17.2506 86.5722 -17.251 193.398 -185.903 86.5722 -185.903 -150.86 GPRESSURE: 4625400 289.576 57.1109 46.915 -167.256 231.823 -194.018 55.4603 -178.513 -142.863 PRESSAVG: 4625400 22.6623 -5.87476 -24.4517 -5.87469 19.995 36.311 -24.4518 36.3112 -11.417 GPRESSAVG: 4625400 23.4324 -5.73201 -24.9155 -7.14411 19.3645 35.7198 -21.0801 37.5372 -11.7505 TIMING: 4625400 CPU: 13905.8, 0.00305359/step Wall: 13905.8, 0.00305359/step, 0.317743 hours remaining, 207.476562 MB of memory in use. ENERGY: 4625400 751.1727 2111.9106 1905.0021 127.3547 -206033.6947 17784.6704 0.0000 0.0000 34225.5087 -149128.0755 298.8999 -183353.5842 -149027.1512 299.5146 94.8008 126.1788 557355.3368 10.4134 10.3488 PRESSURE: 4625600 -33.6395 126.792 -78.6362 126.792 -35.139 67.1107 -78.6349 67.1096 -36.316 GPRESSURE: 4625600 2.92789 109.257 16.8168 97.402 27.4262 52.9648 -128.412 42.3114 -22.9714 PRESSAVG: 4625600 19.8586 20.6154 28.9511 20.6154 -13.0114 -46.8076 28.9511 -46.8076 -28.2195 GPRESSAVG: 4625600 18.5182 20.5604 27.2575 22.8044 -11.8531 -45.1393 29.613 -46.09 -27.7171 TIMING: 4625600 CPU: 13906.4, 0.00303122/step Wall: 13906.4, 0.00303122/step, 0.315247 hours remaining, 207.476562 MB of memory in use. ENERGY: 4625600 753.2361 2147.5009 1945.9127 110.6651 -206216.1035 17874.3243 0.0000 0.0000 34218.5156 -149165.9487 298.8388 -183384.4643 -149068.7850 299.2621 -35.0315 2.4609 558208.6494 -7.1241 -7.0173 PRESSURE: 4625800 120.686 42.0033 -188.178 42.0037 -17.7796 -188.95 -188.178 -188.951 -297.598 GPRESSURE: 4625800 115.106 42.0964 -271.733 46.6264 7.34279 -150.582 -102.375 -153.622 -220.232 PRESSAVG: 4625800 17.0658 -0.0154163 -1.61689 -0.0154246 -15.2069 -52.099 -1.61687 -52.0991 -51.962 GPRESSAVG: 4625800 16.4857 -0.760483 -1.83664 -1.64718 -16.0308 -52.6484 -1.99725 -53.8887 -50.4748 TIMING: 4625800 CPU: 13907.1, 0.0030335/step Wall: 13907.1, 0.0030335/step, 0.315316 hours remaining, 207.476562 MB of memory in use. ENERGY: 4625800 744.8231 2141.0442 1966.0888 118.4818 -206007.2232 17646.6889 0.0000 0.0000 34153.0428 -149237.0535 298.2670 -183390.0964 -149142.7920 299.5139 -64.8975 -32.5944 559316.3374 -16.7010 -16.6733 PRESSURE: 4626000 -53.7161 -50.7649 35.1416 -50.7643 -167.891 -72.857 35.1418 -72.8548 121.059 GPRESSURE: 4626000 -43.1699 -28.8884 111.556 -72.8109 -35.0615 -69.5445 69.8918 -99.247 86.828 PRESSAVG: 4626000 54.7216 51.8121 26.9813 51.8121 -0.247819 -68.1979 26.9812 -68.198 -11.8168 GPRESSAVG: 4626000 57.3582 52.0564 30.8917 54.3416 -0.247246 -68.6514 24.9541 -66.4194 -13.3861 TIMING: 4626000 CPU: 13907.7, 0.00305182/step Wall: 13907.7, 0.00305182/step, 0.31705 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: 4626000 760.5841 2084.6231 1928.2407 115.7394 -206303.9534 17987.3828 0.0000 0.0000 34093.0480 -149334.3352 297.7431 -183427.3833 -149227.1216 299.1679 -33.5161 2.8655 558402.0875 14.2190 14.5750 PRESSURE: 4626200 59.4736 129.418 27.287 129.417 -132.454 -13.2358 27.2877 -13.2362 133.069 GPRESSURE: 4626200 50.6718 94.4628 49.5274 60.795 -89.9343 -80.6193 -4.29384 25.3394 208.647 PRESSAVG: 4626200 24.4695 1.47819 41.3054 1.47822 -39.7004 -39.0903 41.3054 -39.0903 44.5244 GPRESSAVG: 4626200 23.7831 1.03819 38.6556 -1.0558 -39.3408 -40.2834 41.9772 -40.2845 44.5758 TIMING: 4626200 CPU: 13908.3, 0.00306006/step Wall: 13908.3, 0.00306006/step, 0.317736 hours remaining, 207.476562 MB of memory in use. ENERGY: 4626200 740.7719 2091.4527 1965.9333 121.0592 -206295.0972 17790.2666 0.0000 0.0000 34425.2938 -149160.3197 300.6447 -183585.6135 -149062.2794 299.2191 20.0296 56.4615 556775.2778 9.7645 9.6727 PRESSURE: 4626400 22.4186 4.52099 -5.04876 4.52146 0.973874 -108.401 -5.05005 -108.402 -10.0884 GPRESSURE: 4626400 68.1333 -95.4921 -65.1596 6.07876 13.8246 -135.838 68.7895 -101.835 16.6817 PRESSAVG: 4626400 22.5364 -26.4239 -10.171 -26.4239 -53.5118 8.95808 -10.1709 8.95816 47.1868 GPRESSAVG: 4626400 21.2084 -26.9061 -9.88661 -25.8901 -53.4909 6.64178 -8.9036 10.2389 48.5068 TIMING: 4626400 CPU: 13908.9, 0.00306183/step Wall: 13908.9, 0.00306183/step, 0.31775 hours remaining, 207.476562 MB of memory in use. ENERGY: 4626400 761.9420 2099.6663 1935.7971 119.3857 -206348.2686 17774.8011 0.0000 0.0000 34392.8863 -149263.7901 300.3616 -183656.6764 -149166.9317 299.6214 4.4347 32.8799 556131.5015 5.4038 5.4081 PRESSURE: 4626600 -406.628 117.298 28.4751 117.299 -98.6925 -169.156 28.4744 -169.157 34.8376 GPRESSURE: 4626600 -388.247 74.9194 7.90238 115.173 -75.565 -180.137 14.5153 -95.3761 99.8499 PRESSAVG: 4626600 -57.736 -9.78712 33.8836 -9.78713 8.72058 -26.9785 33.8837 -26.9785 27.8443 GPRESSAVG: 4626600 -56.6647 -9.95086 31.2894 -8.0356 8.42883 -24.589 33.4469 -24.8602 26.9381 TIMING: 4626600 CPU: 13909.5, 0.00304088/step Wall: 13909.5, 0.00304088/step, 0.315407 hours remaining, 207.476562 MB of memory in use. ENERGY: 4626600 741.8199 2157.0124 1944.8018 108.9434 -206041.7610 17485.1868 0.0000 0.0000 34392.4407 -149211.5560 300.3577 -183603.9967 -149125.9300 299.3013 -156.8278 -121.3206 558004.7582 -7.0570 -7.0992 PRESSURE: 4626800 332.447 17.9574 32.2936 17.9584 146.832 -14.8541 32.2938 -14.8532 -94.5343 GPRESSURE: 4626800 310.799 7.1406 51.897 141.308 205.683 -4.36466 20.0977 -54.8755 -35.7963 PRESSAVG: 4626800 -37.5135 30.1032 18.2379 30.1032 26.9104 -48.2059 18.2379 -48.2058 -26.2566 GPRESSAVG: 4626800 -36.6409 30.8855 19.7455 29.3152 27.9237 -48.437 18.0931 -51.3162 -28.3405 TIMING: 4626800 CPU: 13910.1, 0.00305782/step Wall: 13910.1, 0.00305782/step, 0.316994 hours remaining, 207.476562 MB of memory in use. ENERGY: 4626800 766.4152 2108.9965 1950.7215 105.7380 -206427.2010 17969.6693 0.0000 0.0000 34403.1932 -149122.4673 300.4516 -183525.6605 -149033.3028 299.3515 128.2483 160.2285 556552.1256 -12.2866 -12.3525 PRESSURE: 4627000 -49.9046 165.331 25.817 165.329 -95.8626 -10.4704 25.8167 -10.4693 -34.4957 GPRESSURE: 4627000 -2.15667 202.767 70.9312 134.011 -59.4136 -0.57584 -7.52372 -59.0018 -17.2504 PRESSAVG: 4627000 -64.2799 -16.8247 -2.26422 -16.8246 67.4525 33.0886 -2.26431 33.0887 -23.8076 GPRESSAVG: 4627000 -64.0419 -17.7712 -1.07241 -17.6108 66.3128 34.7024 -3.96986 33.0888 -22.6755 TIMING: 4627000 CPU: 13910.7, 0.00305314/step Wall: 13910.7, 0.00305314/step, 0.316339 hours remaining, 207.476562 MB of memory in use. ENERGY: 4627000 751.6610 2131.6632 1953.7203 110.7994 -206261.3465 17827.9162 0.0000 0.0000 34225.4382 -149260.1482 298.8993 -183485.5864 -149167.3704 299.7006 -60.0876 -26.2736 556719.5032 -6.8783 -6.8016 PRESSURE: 4627200 -10.0077 -99.373 68.6496 -99.3731 153.822 45.9755 68.6474 45.9746 -40.9658 GPRESSURE: 4627200 52.7422 -106.945 59.4494 -22.4265 161.143 -31.5045 100.802 93.6768 0.773693 PRESSAVG: 4627200 25.7416 12.1409 15.9952 12.141 25.9144 67.4968 15.9951 67.4968 -41.4498 GPRESSAVG: 4627200 25.2317 12.3457 14.6346 13.3177 26.1991 67.4877 16.997 67.601 -41.1156 TIMING: 4627200 CPU: 13911.3, 0.00306591/step Wall: 13911.3, 0.00306591/step, 0.317493 hours remaining, 207.476562 MB of memory in use. ENERGY: 4627200 735.2576 2097.5944 1969.0524 104.3682 -205994.6852 17607.3184 0.0000 0.0000 34296.2316 -149184.8624 299.5175 -183481.0940 -149090.3304 298.5875 34.2828 71.5528 556238.0526 3.4021 3.4384 PRESSURE: 4627400 -116.241 38.2941 -202.891 38.2951 -109.889 239.435 -202.891 239.436 -198.653 GPRESSURE: 4627400 -71.0905 72.179 -161.63 2.46052 -90.3341 137.909 -76.2763 293.842 -162.255 PRESSAVG: 4627400 50.3537 -2.86094 -90.6024 -2.86093 35.1343 8.406 -90.6023 8.406 -93.9174 GPRESSAVG: 4627400 49.9839 -3.5671 -88.6191 -2.87507 35.3116 6.70995 -89.0213 10.5509 -93.8929 TIMING: 4627400 CPU: 13911.9, 0.0030451/step Wall: 13911.9, 0.0030451/step, 0.315168 hours remaining, 207.476562 MB of memory in use. ENERGY: 4627400 790.8395 2088.3107 1961.8901 97.6043 -205838.5803 17565.5170 0.0000 0.0000 34139.7453 -149194.6734 298.1509 -183334.4187 -149102.4333 299.3564 -141.5941 -107.8932 556466.0202 -2.8098 -2.8658 PRESSURE: 4627600 -271.02 -32.2097 33.7142 -32.2094 -274.259 -35.9583 33.7143 -35.9593 -45.151 GPRESSURE: 4627600 -218.213 -68.0587 66.4477 -80.5649 -192.259 -35.9982 -15.0827 -93.4579 -75.1251 PRESSAVG: 4627600 61.9949 -28.3631 20.8138 -28.363 -31.7696 16.0927 20.8139 16.0927 -49.8126 GPRESSAVG: 4627600 62.8405 -27.3716 19.5296 -29.3003 -32.455 18.0461 20.3575 13.8257 -50.4329 TIMING: 4627600 CPU: 13912.5, 0.00302907/step Wall: 13912.5, 0.00302907/step, 0.31334 hours remaining, 207.476562 MB of memory in use. ENERGY: 4627600 796.0729 2069.4084 1936.7343 116.0325 -206056.6774 17735.6918 0.0000 0.0000 34373.6081 -149029.1294 300.1933 -183402.7375 -148930.5665 299.5140 -196.8101 -161.8655 558191.3993 -6.5291 -6.6825 PRESSURE: 4627800 -98.7103 4.11551 10.6637 4.11536 161.402 -53.1845 10.6643 -53.1867 -122.599 GPRESSURE: 4627800 -73.8525 96.0311 92.0265 93.3209 136.387 28.5507 -10.0131 -95.3538 -32.1536 PRESSAVG: 4627800 -16.0517 13.863 9.33803 13.863 85.6383 10.9268 9.33801 10.9268 -35.3919 GPRESSAVG: 4627800 -17.6589 14.2423 7.53221 14.0391 85.7039 11.3087 9.48994 11.743 -34.06 TIMING: 4627800 CPU: 13913.1, 0.00298855/step Wall: 13913.1, 0.00298855/step, 0.308983 hours remaining, 207.476562 MB of memory in use. ENERGY: 4627800 756.9519 2128.0006 1992.1093 120.4110 -206249.6981 17881.3012 0.0000 0.0000 34373.9030 -148997.0212 300.1958 -183370.9241 -148899.3098 300.0312 -19.9693 10.1271 557837.5435 11.3982 11.3284 PRESSURE: 4628000 -247.928 -16.3722 -55.5215 -16.3725 190.872 93.0327 -55.5217 93.0313 -33.9484 GPRESSURE: 4628000 -219.517 47.44 -67.6923 -48.3703 242.358 94.998 -79.6366 47.7171 -9.1785 PRESSAVG: 4628000 -5.81884 -30.9957 -28.7723 -30.9957 79.0214 3.16323 -28.7721 3.16323 -79.5486 GPRESSAVG: 4628000 -4.18292 -30.0685 -27.5278 -31.0072 78.0046 3.63566 -28.6067 3.05401 -80.0377 TIMING: 4628000 CPU: 13913.7, 0.00300739/step Wall: 13913.7, 0.00300739/step, 0.310763 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: 4628000 732.7954 2117.5374 1954.5954 114.0147 -205997.7266 17749.2899 0.0000 0.0000 34320.1557 -149009.3381 299.7265 -183329.4938 -148910.9858 300.4025 -30.3348 4.5541 559447.3088 -2.1154 -2.0720 PRESSURE: 4628200 -168.067 -39.1405 -107.929 -39.1413 -141.82 -5.15261 -107.928 -5.15463 -100.356 GPRESSURE: 4628200 -65.1223 -39.1444 -150.085 -108.808 -118.967 -67.1932 -100.094 45.2817 -120.818 PRESSAVG: 4628200 -70.532 5.48665 -26.8562 5.48667 7.73581 20.1897 -26.8562 20.1897 23.5187 GPRESSAVG: 4628200 -71.9983 6.77584 -26.7565 4.62265 8.7907 17.4236 -28.2468 20.3183 24.207 TIMING: 4628200 CPU: 13914.3, 0.00299809/step Wall: 13914.3, 0.00299809/step, 0.309636 hours remaining, 207.476562 MB of memory in use. ENERGY: 4628200 787.8441 2125.6445 1970.8771 111.8226 -206038.5815 17647.8154 0.0000 0.0000 34436.4365 -148958.1414 300.7420 -183394.5779 -148857.1834 299.8878 -136.7476 -101.6359 558498.9852 -13.0925 -13.0002 LDB: ============= START OF LOAD BALANCING ============== 13917.8 LDB: ============== END OF LOAD BALANCING =============== 13917.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13917.8 LDB: ============= START OF LOAD BALANCING ============== 13918.1 LDB: Largest compute 4820 load 0.029015 is 24.6% of average load 0.118124 LDB: Average compute 0.001736 is 1.5% of average load 0.118124 LDB: TIME 13918.1 LOAD: AVG 0.118124 MAX 0.21622 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.781 MB LDB: TIME 13918.1 LOAD: AVG 0.118124 MAX 0.21622 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.984 MB LDB: TIME 13918.1 LOAD: AVG 0.118124 MAX 0.21622 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.984 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13918.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13918.1 PRESSURE: 4628400 -35.1816 131.211 -180.108 131.211 199.396 54.0439 -180.108 54.043 40.1008 GPRESSURE: 4628400 72.1379 130.427 -104.651 155.805 212.83 106.648 -167.204 48.237 20.9352 PRESSAVG: 4628400 19.1821 21.2006 -21.87 21.2007 35.4591 -9.72369 -21.87 -9.72362 -78.2548 GPRESSAVG: 4628400 19.3115 18.2945 -22.0842 22.5008 36.0689 -9.49192 -21.2517 -7.38882 -78.7471 TIMING: 4628400 CPU: 13915, 0.00312157/step Wall: 13915, 0.00312157/step, 0.322216 hours remaining, 208.812500 MB of memory in use. ENERGY: 4628400 766.9480 2091.6037 1949.8601 112.9923 -206099.2673 17962.0138 0.0000 0.0000 34366.2533 -148849.5961 300.1290 -183215.8494 -148746.1548 299.8910 68.1050 101.9678 559118.8125 -7.8712 -7.7889 PRESSURE: 4628600 -230.642 45.8911 1.44952 45.8914 -137.109 -148.953 1.44929 -148.953 -175.201 GPRESSURE: 4628600 -187.506 -31.6726 -52.4882 9.43726 -113.135 -73.4917 -7.19925 -266.872 -153.022 PRESSAVG: 4628600 26.1974 35.3691 -52.421 35.3692 22.1371 14.8027 -52.421 14.8028 -32.5505 GPRESSAVG: 4628600 27.0125 35.9403 -50.8777 34.9391 22.0666 14.5346 -53.3533 13.3405 -33.28 TIMING: 4628600 CPU: 13915.6, 0.00302355/step Wall: 13915.6, 0.00302355/step, 0.311929 hours remaining, 208.812500 MB of memory in use. ENERGY: 4628600 805.6774 2120.2978 1947.8670 128.5674 -205859.0266 17626.3072 0.0000 0.0000 34356.8943 -148873.4155 300.0473 -183230.3098 -148776.2071 300.1313 -180.9839 -151.2211 558445.3869 5.2613 5.2664 PRESSURE: 4628800 -81.8041 -96.1689 -161.047 -96.1687 158.775 -2.64643 -161.047 -2.64546 -103.383 GPRESSURE: 4628800 -30.8424 -35.4478 -112.259 -33.8938 227.572 -45.5374 -53.9103 -20.0574 -124.735 PRESSAVG: 4628800 27.1094 -1.09174 -73.8866 -1.09172 9.70821 16.5344 -73.8867 16.5342 -74.8643 GPRESSAVG: 4628800 26.5961 0.295605 -76.4602 -2.98199 9.53296 18.3423 -72.2172 14.8676 -74.3903 TIMING: 4628800 CPU: 13916.2, 0.00300501/step Wall: 13916.2, 0.00300501/step, 0.30985 hours remaining, 208.812500 MB of memory in use. ENERGY: 4628800 760.9596 2102.4687 1952.4063 109.1342 -206106.0329 17750.9255 0.0000 0.0000 34566.4454 -148863.6932 301.8774 -183430.1386 -148770.9654 300.1588 -8.8040 23.9984 556357.3481 -12.6822 -12.7538 PRESSURE: 4629000 -185.862 30.0765 24.069 30.0774 -31.4455 129.229 24.0691 129.229 92.2575 GPRESSURE: 4629000 -164.547 69.9624 21.3077 88.7323 42.7573 159.264 -12.325 235.581 103.659 PRESSAVG: 4629000 -41.2246 52.1647 38.3325 52.1646 -19.1539 74.2768 38.3324 74.2768 35.9586 GPRESSAVG: 4629000 -40.8971 49.5629 41.6964 54.6033 -18.6944 75.2869 34.4659 74.8656 35.2383 TIMING: 4629000 CPU: 13916.8, 0.00304039/step Wall: 13916.8, 0.00304039/step, 0.313329 hours remaining, 208.812500 MB of memory in use. ENERGY: 4629000 756.9199 2160.7450 1930.9716 123.4537 -206061.9722 17727.7845 0.0000 0.0000 34382.5403 -148979.5571 300.2713 -183362.0974 -148892.0390 300.3768 -41.6832 -6.0438 557006.1957 -8.1400 -8.1177 PRESSURE: 4629200 -16.5747 -1.78143 53.5513 -1.78178 -37.9152 39.4916 53.5515 39.492 17.0343 GPRESSURE: 4629200 -26.2269 -3.89844 70.1244 -20.6892 -25.1881 104.217 84.2987 -34.8762 113.052 PRESSAVG: 4629200 6.65571 33.5762 -3.56154 33.5761 61.9369 12.3118 -3.56156 12.3117 -16.7656 GPRESSAVG: 4629200 5.70764 32.6504 -7.2027 32.844 61.4056 10.9676 0.977035 11.1043 -15.7108 TIMING: 4629200 CPU: 13917.4, 0.00303748/step Wall: 13917.4, 0.00303748/step, 0.31286 hours remaining, 208.812500 MB of memory in use. ENERGY: 4629200 745.7842 2107.4103 1956.6330 111.8713 -205964.2942 17715.0375 0.0000 0.0000 34327.9577 -148999.6003 299.7946 -183327.5580 -148905.2204 300.1083 -12.4852 20.5458 557738.6649 17.2757 17.1341 PRESSURE: 4629400 176.962 38.3065 15.1319 38.3056 16.6402 331.665 15.1334 331.664 -273.768 GPRESSURE: 4629400 154.316 0.913146 -61.0335 103.429 83.0042 286.846 -81.7989 383.225 -225.363 PRESSAVG: 4629400 87.1511 -10.2551 39.4502 -10.2552 -25.7744 -17.7332 39.4503 -17.7331 -35.84 GPRESSAVG: 4629400 86.3571 -8.42916 41.7974 -10.7059 -25.5484 -16.7549 35.6959 -16.8328 -35.7078 TIMING: 4629400 CPU: 13918, 0.00302837/step Wall: 13918, 0.00302837/step, 0.311754 hours remaining, 208.812500 MB of memory in use. ENERGY: 4629400 736.0779 2063.2297 1924.8790 101.7299 -205785.3307 17569.1198 0.0000 0.0000 34403.6828 -148986.6117 300.4559 -183390.2944 -148889.6927 300.3070 -26.7221 3.9857 557423.4957 8.5122 8.3669 PRESSURE: 4629600 383.455 -65.2496 -24.9795 -65.25 123.735 -94.9509 -24.9782 -94.9496 -67.0581 GPRESSURE: 4629600 432.973 -58.0022 25.3612 -39.9748 124.41 -126.089 -83.9886 -128.878 -17.3579 PRESSAVG: 4629600 45.047 -56.1661 -57.5709 -56.1661 31.2572 40.7751 -57.5709 40.7752 -90.0885 GPRESSAVG: 4629600 45.1942 -56.39 -59.5108 -55.5268 31.6285 39.0852 -55.8478 40.4464 -90.6433 TIMING: 4629600 CPU: 13918.6, 0.00304152/step Wall: 13918.6, 0.00304152/step, 0.312939 hours remaining, 208.812500 MB of memory in use. ENERGY: 4629600 741.3587 2086.9194 1930.0670 107.6784 -206076.9535 17770.7795 0.0000 0.0000 34408.5529 -149031.5976 300.4985 -183440.1505 -148934.1983 300.3468 146.7105 180.0082 556180.0259 -4.5948 -4.6069 PRESSURE: 4629800 54.128 49.7591 -9.79234 49.7599 -190.218 9.33356 -9.7918 9.33362 -93.5062 GPRESSURE: 4629800 80.8177 122.082 -26.7686 -2.18793 -143.355 -30.9039 50.6938 48.7064 -72.9238 PRESSAVG: 4629800 61.8734 -12.0746 15.4668 -12.0746 -26.8304 56.3379 15.4668 56.3379 -1.71468 GPRESSAVG: 4629800 62.7653 -11.5594 16.9806 -12.6333 -27.4934 58.2471 13.5899 58.2477 -1.81163 TIMING: 4629800 CPU: 13919.2, 0.00303289/step Wall: 13919.2, 0.00303289/step, 0.311882 hours remaining, 208.812500 MB of memory in use. ENERGY: 4629800 794.8582 2082.0256 1925.1295 108.5669 -206310.2292 17792.4452 0.0000 0.0000 34421.0307 -149186.1732 300.6074 -183607.2039 -149098.7801 299.8356 -76.5320 -45.1537 555628.1210 11.1094 11.1534 PRESSURE: 4630000 191.693 82.7582 0.613464 82.7571 -207.785 -109.264 0.613445 -109.264 86.6157 GPRESSURE: 4630000 225.731 -8.88308 19.7422 123.071 -164.345 -142.112 -80.8364 -7.13318 103.545 PRESSAVG: 4630000 -32.0642 -24.954 -52.72 -24.954 -44.2417 23.2026 -52.7199 23.2026 45.5946 GPRESSAVG: 4630000 -32.6348 -25.3529 -53.9067 -24.3922 -44.7594 21.4678 -51.3862 22.5652 46.3062 TIMING: 4630000 CPU: 13919.8, 0.0030423/step Wall: 13919.8, 0.0030423/step, 0.312681 hours remaining, 208.812500 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: 4630000 718.2414 2109.6518 1947.3350 120.9085 -206337.1303 17923.7653 0.0000 0.0000 34389.1674 -149128.0609 300.3292 -183517.2283 -149029.2340 299.6121 23.5081 54.9773 557490.3895 -10.2371 -10.3627 PRESSURE: 4630200 -64.9699 14.9309 -14.3662 14.9314 -69.8137 42.4239 -14.3666 42.4234 -52.0931 GPRESSURE: 4630200 -36.5309 15.31 40.1341 -35.4437 -19.7393 73.3294 10.6968 60.4944 -29.7289 PRESSAVG: 4630200 -2.43184 -36.7868 47.3654 -36.7868 -44.9876 3.47034 47.3655 3.47035 33.5553 GPRESSAVG: 4630200 -1.74693 -36.777 46.5407 -36.8733 -44.0267 3.87064 47.3761 4.5304 32.6166 TIMING: 4630200 CPU: 13920.4, 0.00306773/step Wall: 13920.4, 0.00306773/step, 0.315124 hours remaining, 208.812500 MB of memory in use. ENERGY: 4630200 755.3991 2088.0634 1939.2714 121.0291 -206242.2397 17702.5413 0.0000 0.0000 34537.7247 -149098.2107 301.6265 -183635.9354 -148998.5099 300.1994 -62.2922 -28.6664 557744.8186 -4.6214 -4.3857 PRESSURE: 4630400 114.475 -137.915 -20.0218 -137.915 -79.8872 54.6506 -20.0223 54.6508 -99.4989 GPRESSURE: 4630400 97.5776 -220.455 33.7973 -90.8533 49.9609 0.214836 -57.4144 0.653918 -96.9778 PRESSAVG: 4630400 4.15724 -71.399 12.6487 -71.399 46.4601 19.4489 12.6487 19.4489 -19.5054 GPRESSAVG: 4630400 4.62954 -69.9236 14.6831 -72.6365 46.0689 20.1483 12.3193 18.6141 -19.985 TIMING: 4630400 CPU: 13921, 0.0030546/step Wall: 13921, 0.0030546/step, 0.313605 hours remaining, 208.812500 MB of memory in use. ENERGY: 4630400 720.2142 2033.7979 1939.9268 112.1678 -206069.5376 17784.5249 0.0000 0.0000 34402.0897 -149076.8163 300.4420 -183478.9060 -148971.1243 300.1220 -21.6371 16.8535 559012.9816 10.3706 10.2378 PRESSURE: 4630600 33.6206 103.145 29.8595 103.144 190.465 22.4236 29.859 22.4249 127.943 GPRESSURE: 4630600 49.7671 149.06 62.6848 51.8889 223.007 52.4803 85.6074 -20.1262 173.296 PRESSAVG: 4630600 90.933 -44.0333 -26.7651 -44.0331 20.2094 13.2962 -26.7652 13.2964 -86.7384 GPRESSAVG: 4630600 90.5687 -46.1695 -26.778 -45.0766 19.6259 11.8532 -25.84 13.3089 -86.3024 TIMING: 4630600 CPU: 13921.7, 0.00307519/step Wall: 13921.7, 0.00307519/step, 0.315549 hours remaining, 208.812500 MB of memory in use. ENERGY: 4630600 731.2328 2027.5534 1967.2454 130.3791 -206625.9410 18054.7131 0.0000 0.0000 34494.3106 -149220.5067 301.2474 -183714.8173 -149128.4795 299.6200 117.3429 148.6901 558498.5661 8.1347 7.9641 PRESSURE: 4630800 313.575 -1.07407 -22.1753 -1.07465 -296.719 153.614 -22.1751 153.613 -358.361 GPRESSURE: 4630800 309.434 -42.5712 9.61293 33.3111 -227.402 142.621 -10.5314 150.706 -333.651 PRESSAVG: 4630800 51.3471 14.572 13.5352 14.5721 -60.3717 20.1597 13.5352 20.1596 27.3814 GPRESSAVG: 4630800 51.6378 14.338 12.6242 16.2524 -61.8146 21.0978 11.2215 19.3727 28.3424 TIMING: 4630800 CPU: 13922.3, 0.00307294/step Wall: 13922.3, 0.00307294/step, 0.315147 hours remaining, 208.812500 MB of memory in use. ENERGY: 4630800 733.8798 2137.2631 1940.6313 122.8347 -205909.0460 17627.5377 0.0000 0.0000 34291.4861 -149055.4133 299.4761 -183346.8994 -148957.7330 299.8348 -113.8350 -83.8729 558577.1974 6.1189 6.0552 PRESSURE: 4631000 5.98803 -136.118 -64.7251 -136.119 -151.423 35.1009 -64.7254 35.1014 95.3552 GPRESSURE: 4631000 34.3114 -102.75 -126.602 -203.539 -100.976 -29.2106 -19.9037 -14.5182 115.338 PRESSAVG: 4631000 46.9338 5.39101 -15.8006 5.39098 -64.5221 72.0694 -15.8005 72.0693 -36.9822 GPRESSAVG: 4631000 47.2116 5.91152 -15.7856 4.75295 -64.2547 71.2084 -14.6573 71.7033 -37.2166 TIMING: 4631000 CPU: 13922.9, 0.00309446/step Wall: 13922.9, 0.00309446/step, 0.317182 hours remaining, 208.812500 MB of memory in use. ENERGY: 4631000 759.1481 2066.8933 1949.4292 94.9883 -205879.9603 17708.7026 0.0000 0.0000 34241.3950 -149059.4038 299.0386 -183300.7988 -148970.3782 298.8598 -16.6932 16.2245 557557.8196 -18.1902 -18.0866 PRESSURE: 4631200 164.259 97.1373 58.3238 97.1374 7.78221 76.2336 58.3232 76.2336 140.449 GPRESSURE: 4631200 213.877 90.1864 -42.1027 71.6704 13.3321 228.74 18.5302 -108.004 185.054 PRESSAVG: 4631200 54.1492 -4.16226 -26.4483 -4.16223 3.39121 18.2785 -26.4483 18.2786 -32.8039 GPRESSAVG: 4631200 54.9259 -1.48552 -28.3763 -2.37304 3.61621 19.4325 -25.0093 19.5817 -34.2083 TIMING: 4631200 CPU: 13923.5, 0.00309463/step Wall: 13923.5, 0.00309463/step, 0.317028 hours remaining, 208.812500 MB of memory in use. ENERGY: 4631200 721.5061 2074.1058 1979.6562 119.6296 -205864.8929 17927.6828 0.0000 0.0000 34227.4547 -148814.8577 298.9169 -183042.3124 -148717.9192 300.2807 104.1633 137.4212 557616.3421 8.2455 8.1113 PRESSURE: 4631400 24.5516 -98.0191 -55.1176 -98.0197 102.61 21.6749 -55.1175 21.675 -103.486 GPRESSURE: 4631400 82.2959 -146.108 -97.1432 -121.152 81.9245 44.1569 -72.8123 25.696 -39.5801 PRESSAVG: 4631400 3.10114 -26.4138 -15.3362 -26.4139 -30.1691 14.9047 -15.3362 14.9047 34.7203 GPRESSAVG: 4631400 2.61077 -28.9652 -12.2883 -28.2098 -30.0278 13.1479 -17.1029 15.5677 35.0196 TIMING: 4631400 CPU: 13924.1, 0.00309654/step Wall: 13924.1, 0.00309654/step, 0.317051 hours remaining, 208.812500 MB of memory in use. ENERGY: 4631400 716.5748 2085.1413 1920.8313 97.0254 -205546.3048 17602.9020 0.0000 0.0000 34514.1183 -148609.7116 301.4204 -183123.8299 -148520.1304 300.8394 7.8919 41.5468 558527.6937 2.5508 2.5342 PRESSURE: 4631600 131.782 -20.5726 -0.243793 -20.5724 -43.4922 -189.608 -0.24462 -189.608 176.793 GPRESSURE: 4631600 165.393 1.7603 37.693 -83.3269 17.4114 -188.326 -12.6648 -220.337 172.69 PRESSAVG: 4631600 -45.1626 -31.0381 16.1992 -31.0381 3.57083 20.0984 16.1991 20.0984 24.4712 GPRESSAVG: 4631600 -45.5634 -32.6031 15.1723 -29.8137 3.65184 19.4531 16.8078 19.3229 24.5695 TIMING: 4631600 CPU: 13924.7, 0.00307566/step Wall: 13924.7, 0.00307566/step, 0.314743 hours remaining, 208.812500 MB of memory in use. ENERGY: 4631600 742.4203 2076.6284 1938.8128 124.4605 -205744.4883 17793.0938 0.0000 0.0000 34473.6996 -148595.3728 301.0674 -183069.0724 -148503.5865 300.7305 88.3610 118.4980 556763.2019 -5.7069 -5.7807 PRESSURE: 4631800 -83.9738 -36.6051 107.012 -36.6059 -83.3195 75.3779 107.013 75.3774 89.2024 GPRESSURE: 4631800 -72.521 -37.302 128.027 14.4258 -35.2908 127.975 107.277 -46.6882 126.984 PRESSAVG: 4631800 13.4103 21.479 13.1863 21.479 -82.1049 -17.1556 13.1863 -17.1557 15.8981 GPRESSAVG: 4631800 13.8502 26.1478 13.4344 18.993 -82.3413 -15.7535 13.0535 -17.9282 15.5521 TIMING: 4631800 CPU: 13925.4, 0.00307554/step Wall: 13925.4, 0.00307554/step, 0.314559 hours remaining, 208.812500 MB of memory in use. ENERGY: 4631800 781.9619 2140.1762 1888.8213 107.0494 -205545.3110 17646.9245 0.0000 0.0000 34405.9653 -148574.4125 300.4759 -182980.3777 -148477.9186 300.4303 -26.0303 6.3907 558571.3530 -17.5988 -17.6463 PRESSURE: 4632000 -158.515 -138.507 215.767 -138.507 -227.445 -37.3981 215.767 -37.3981 -6.88957 GPRESSURE: 4632000 -109.901 -22.4222 167.715 -199.999 -221.011 34.8968 225.492 -20.577 24.5275 PRESSAVG: 4632000 29.6057 24.2229 63.1063 24.2229 25.8833 14.1352 63.1063 14.1352 2.64835 GPRESSAVG: 4632000 29.7329 20.7486 63.0084 26.2988 26.7288 14.5192 62.7316 13.3564 1.4513 TIMING: 4632000 CPU: 13926, 0.00303906/step Wall: 13926, 0.00303906/step, 0.310659 hours remaining, 208.812500 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: 4632000 744.6096 2164.6792 1964.3218 96.5095 -205539.8912 17636.0603 0.0000 0.0000 34415.2194 -148518.4913 300.5567 -182933.7108 -148413.7222 301.0994 -130.9497 -102.1282 560897.7601 19.3791 19.3044 PRESSURE: 4632200 81.7377 7.28588 94.3905 7.28637 -36.6096 58.8352 94.3909 58.8329 -86.4198 GPRESSURE: 4632200 119.533 -9.37909 49.4169 -75.4996 13.8324 10.9378 48.3433 129.741 -83.5403 PRESSAVG: 4632200 -39.512 -16.1083 -5.19403 -16.1082 -28.7098 34.211 -5.19406 34.211 45.4864 GPRESSAVG: 4632200 -40.9932 -17.4982 -6.28002 -15.4625 -29.2555 34.7069 -4.53917 34.0063 46.8582 TIMING: 4632200 CPU: 13926.6, 0.00302305/step Wall: 13926.6, 0.00302305/step, 0.308855 hours remaining, 208.812500 MB of memory in use. ENERGY: 4632200 771.0151 2144.1582 1928.8065 117.7651 -206029.9452 17847.1034 0.0000 0.0000 34547.9852 -148673.1116 301.7161 -183221.0968 -148573.8959 300.4368 -13.7639 16.6083 558352.9217 -7.5785 -7.7968 LDB: ============= START OF LOAD BALANCING ============== 13930 LDB: ============== END OF LOAD BALANCING =============== 13930 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13930 LDB: ============= START OF LOAD BALANCING ============== 13930.3 LDB: Largest compute 4820 load 0.031493 is 26.7% of average load 0.118085 LDB: Average compute 0.001745 is 1.5% of average load 0.118085 LDB: TIME 13930.3 LOAD: AVG 0.118085 MAX 0.214232 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.211 MB LDB: TIME 13930.3 LOAD: AVG 0.118085 MAX 0.214232 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.215 MB LDB: TIME 13930.3 LOAD: AVG 0.118085 MAX 0.214232 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.215 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13930.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13930.3 PRESSURE: 4632400 147.773 -162.686 34.4597 -162.686 -27.0738 -39.1817 34.461 -39.1811 194.956 GPRESSURE: 4632400 165.882 -125.634 63.7214 -251.424 13.3037 -51.5396 70.1925 -42.6903 232.374 PRESSAVG: 4632400 -31.0058 -44.3433 24.2875 -44.3432 17.5581 20.6076 24.2875 20.6077 39.238 GPRESSAVG: 4632400 -30.6792 -41.4524 25.0677 -45.2942 17.9839 19.2079 23.3668 21.1554 39.3819 TIMING: 4632400 CPU: 13927.2, 0.00311523/step Wall: 13927.2, 0.00311523/step, 0.318099 hours remaining, 208.171875 MB of memory in use. ENERGY: 4632400 752.5648 2107.4333 1973.4906 123.0801 -205796.3650 17899.0406 0.0000 0.0000 34202.2720 -148738.4837 298.6969 -182940.7557 -148643.8464 300.5276 105.2184 137.1867 558169.5765 8.5967 8.8955 PRESSURE: 4632600 -78.4194 83.061 32.3057 83.0605 -253.888 28.1533 32.3046 28.154 -76.5986 GPRESSURE: 4632600 -13.5105 79.146 57.7217 38.9006 -230.883 -61.6959 47.2615 11.5724 -66.9818 PRESSAVG: 4632600 31.0135 -58.8457 -1.81621 -58.8457 -37.367 16.2214 -1.81616 16.2213 1.59855 GPRESSAVG: 4632600 32.1432 -59.8637 -1.08979 -59.0754 -39.5771 16.6657 -2.7948 15.3093 2.31389 TIMING: 4632600 CPU: 13927.8, 0.00302824/step Wall: 13927.8, 0.00302824/step, 0.309049 hours remaining, 208.171875 MB of memory in use. ENERGY: 4632600 749.7510 2161.3968 1926.9810 107.3418 -206011.8846 17586.4147 0.0000 0.0000 34642.9351 -148837.0642 302.5454 -183479.9993 -148740.4572 300.1703 -136.3021 -103.7917 558875.4942 -1.5850 -1.7067 PRESSURE: 4632800 54.8482 -94.3218 198.909 -94.3214 123.736 -50.6782 198.91 -50.6805 26.8779 GPRESSURE: 4632800 61.3777 -141.908 246.897 25.1191 162.972 34.0384 124.1 -80.0459 87.0371 PRESSAVG: 4632800 40.4417 -23.8666 -8.96947 -23.8666 -11.35 12.8084 -8.96939 12.8084 -34.4068 GPRESSAVG: 4632800 38.2015 -22.2461 -10.1605 -24.346 -8.84115 12.3776 -8.20552 14.7032 -34.7557 TIMING: 4632800 CPU: 13928.4, 0.0030498/step Wall: 13928.4, 0.0030498/step, 0.31108 hours remaining, 208.171875 MB of memory in use. ENERGY: 4632800 755.5392 2029.6099 1949.6847 114.1757 -206031.4593 17789.7575 0.0000 0.0000 34280.3931 -149112.2990 299.3792 -183392.6922 -149014.6139 299.4179 68.4875 103.7957 556608.8120 -1.7717 -1.7984 PRESSURE: 4633000 -372.917 -36.4316 49.1993 -36.4325 159.179 48.5452 49.1995 48.5483 -158.178 GPRESSURE: 4633000 -343.979 -49.6824 57.8869 -95.4956 168.073 126.399 66.5318 26.3941 -101.52 PRESSAVG: 4633000 19.3088 -1.73627 -1.04898 -1.73631 -21.8242 4.37662 -1.049 4.3767 3.74446 GPRESSAVG: 4633000 19.8229 -3.6523 -0.227462 -0.543775 -22.995 5.13764 -1.7288 5.09962 3.9559 TIMING: 4633000 CPU: 13929, 0.00303952/step Wall: 13929, 0.00303952/step, 0.309862 hours remaining, 208.171875 MB of memory in use. ENERGY: 4633000 771.0212 2096.4772 1919.3481 117.9991 -206075.3757 17623.6862 0.0000 0.0000 34316.6415 -149230.2023 299.6958 -183546.8438 -149137.1616 299.1051 -123.9719 -92.4751 557971.0124 0.4097 0.2613 PRESSURE: 4633200 -118.161 -118.762 -27.9931 -118.764 -113.426 -19.362 -27.9943 -19.3634 267.966 GPRESSURE: 4633200 -101.222 -134.222 -2.24403 -151.762 -53.9665 -15.7959 -32.0715 -27.574 283.292 PRESSAVG: 4633200 -20.1105 7.87575 18.9629 7.87574 29.6957 0.30132 18.9628 0.301481 23.7489 GPRESSAVG: 4633200 -19.9393 8.2396 17.8725 8.93152 30.7742 0.704709 19.1035 -0.706945 23.241 TIMING: 4633200 CPU: 13929.6, 0.0030209/step Wall: 13929.6, 0.0030209/step, 0.307796 hours remaining, 208.171875 MB of memory in use. ENERGY: 4633200 758.5670 2072.3000 1951.4809 113.4883 -206206.6706 17830.6211 0.0000 0.0000 34451.4047 -149028.8088 300.8727 -183480.2134 -148929.6909 299.7022 12.1262 42.7014 558444.5857 11.1114 11.3586 PRESSURE: 4633400 64.6938 -55.7875 47.7263 -55.7877 63.4799 19.4239 47.725 19.4228 -140.445 GPRESSURE: 4633400 46.6932 -56.5305 78.6271 -8.02772 96.0307 61.5944 52.469 59.2068 -63.9246 PRESSAVG: 4633400 -7.93064 -20.6107 23.1095 -20.6107 28.4492 -15.8332 23.1095 -15.8332 -22.5445 GPRESSAVG: 4633400 -8.40632 -20.0801 23.9272 -20.3879 27.6063 -16.9112 23.9413 -15.423 -21.4101 TIMING: 4633400 CPU: 13930.2, 0.00304046/step Wall: 13930.2, 0.00304046/step, 0.30962 hours remaining, 208.171875 MB of memory in use. ENERGY: 4633400 768.6248 2088.3059 1928.4826 109.3439 -206239.9013 17939.5842 0.0000 0.0000 34299.8373 -149105.7225 299.5490 -183405.5598 -149009.2115 299.4734 -4.0905 26.2664 558990.0331 -0.6753 -0.7367 PRESSURE: 4633600 181.517 21.3311 116.492 21.3318 -0.11833 -10.2397 116.492 -10.2404 137.029 GPRESSURE: 4633600 243.871 16.5753 63.7579 -45.6477 -3.41635 -12.3056 99.4524 -43.6815 188.858 PRESSAVG: 4633600 -65.5068 -35.9285 -17.4646 -35.9285 -7.38618 5.49953 -17.4647 5.49947 22.0985 GPRESSAVG: 4633600 -64.7575 -34.3598 -17.5082 -36.8265 -7.27305 4.86296 -17.8636 5.05074 21.1187 TIMING: 4633600 CPU: 13930.8, 0.00304552/step Wall: 13930.8, 0.00304552/step, 0.309966 hours remaining, 208.171875 MB of memory in use. ENERGY: 4633600 746.2538 2096.7840 1929.4243 102.3180 -206426.1657 18118.5911 0.0000 0.0000 34319.8386 -149112.9559 299.7237 -183432.7945 -149013.2908 299.1852 106.1427 143.1042 559112.2547 -16.9315 -16.9706 PRESSURE: 4633800 16.6358 -55.6325 110.646 -55.6341 145.454 -93.7172 110.646 -93.7171 29.6222 GPRESSURE: 4633800 67.0999 -77.6615 101.215 -71.2757 175.666 -5.11608 79.8503 -90.2923 66.0567 PRESSAVG: 4633800 -3.3321 -19.1539 25.6762 -19.1539 31.0051 -28.4908 25.6762 -28.4906 0.27189 GPRESSAVG: 4633800 -3.27072 -22.6235 23.9389 -18.692 31.4688 -26.6251 27.1469 -27.9475 0.304282 TIMING: 4633800 CPU: 13931.4, 0.00302169/step Wall: 13931.4, 0.00302169/step, 0.307373 hours remaining, 208.171875 MB of memory in use. ENERGY: 4633800 760.9901 2092.2246 1908.7739 117.3720 -206407.0499 18031.0388 0.0000 0.0000 34240.4458 -149256.2047 299.0303 -183496.6505 -149160.4939 299.0849 63.9040 102.9410 558177.4050 9.3150 9.5008 PRESSURE: 4634000 327.32 119.742 -6.62696 119.741 -75.2375 -39.6447 -6.62564 -39.6442 56.8936 GPRESSURE: 4634000 380.834 113.085 -20.7359 60.5381 -34.9531 -137.673 54.8021 -39.4062 67.1132 PRESSAVG: 4634000 17.7688 19.5844 61.913 19.5845 -3.65929 8.26942 61.9129 8.26941 35.7856 GPRESSAVG: 4634000 18.1323 21.6676 62.8563 17.5428 -3.13676 6.65234 59.7791 9.70195 34.4283 TIMING: 4634000 CPU: 13932.1, 0.00302807/step Wall: 13932.1, 0.00302808/step, 0.307854 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: 4634000 726.0397 2122.5889 1929.6869 110.1449 -206512.2821 18065.9382 0.0000 0.0000 34399.5442 -149158.3394 300.4198 -183557.8836 -149060.9530 299.2260 102.9921 137.6648 558386.8990 16.6317 16.4746 PRESSURE: 4634200 -138.763 36.0084 -10.3428 36.007 -32.4934 -75.9971 -10.3418 -75.9953 95.4329 GPRESSURE: 4634200 -81.7369 4.26103 -119.252 32.1803 -45.1777 -87.7159 -34.8526 6.98952 146.362 PRESSAVG: 4634200 -48.2685 7.11766 2.81658 7.11769 5.94292 30.0492 2.81642 30.0493 15.6202 GPRESSAVG: 4634200 -49.6311 6.55142 2.58007 8.7357 7.17684 31.833 4.61607 28.1405 15.7625 TIMING: 4634200 CPU: 13932.7, 0.00304298/step Wall: 13932.7, 0.00304298/step, 0.3092 hours remaining, 208.277344 MB of memory in use. ENERGY: 4634200 751.4334 2060.9268 1968.3531 109.5486 -206319.6552 17973.3876 0.0000 0.0000 34235.2406 -149220.7651 298.9849 -183456.0057 -149131.0110 299.0330 -25.2743 6.4824 559208.5548 -8.9018 -8.8973 PRESSURE: 4634400 -213.577 46.9336 -141.75 46.934 -267.422 -184.436 -141.75 -184.435 66.2462 GPRESSURE: 4634400 -155.831 -54.2736 -157.35 26.0568 -230.885 -165.133 -149.996 -98.9974 67.0139 PRESSAVG: 4634400 -26.6741 -3.63667 -21.1058 -3.6366 52.6669 -4.35979 -21.1057 -4.35983 -2.06382 GPRESSAVG: 4634400 -26.6676 -4.50262 -19.3451 -4.14694 51.4855 -5.66041 -22.2536 -5.5062 -1.27122 TIMING: 4634400 CPU: 13933.3, 0.00304224/step Wall: 13933.3, 0.00304224/step, 0.308956 hours remaining, 208.277344 MB of memory in use. ENERGY: 4634400 697.9666 2101.0838 1973.2552 115.0211 -206175.7043 17729.8626 0.0000 0.0000 34284.0871 -149274.4278 299.4115 -183558.5149 -149182.6676 299.3752 -138.2510 -106.5671 558720.7524 7.9763 7.8489 PRESSURE: 4634600 194.143 294.878 145.961 294.877 37.9665 83.5004 145.961 83.501 147.896 GPRESSURE: 4634600 214.374 223.853 48.3444 358.145 82.5834 84.3472 163.651 95.463 175.986 PRESSAVG: 4634600 -12.9007 29.4273 -18.8674 29.4272 -19.3182 3.04042 -18.8674 3.04044 87.1624 GPRESSAVG: 4634600 -14.0976 28.3019 -19.3631 30.7028 -18.9961 3.21155 -19.8778 4.53193 87.9144 TIMING: 4634600 CPU: 13933.9, 0.00306559/step Wall: 13933.9, 0.00306559/step, 0.311158 hours remaining, 208.277344 MB of memory in use. ENERGY: 4634600 748.6821 2114.7085 1966.8330 123.9486 -206425.4889 17957.7144 0.0000 0.0000 34141.7089 -149371.8934 298.1680 -183513.6023 -149274.3488 298.4542 126.6684 157.6475 557287.0468 18.3145 18.2736 PRESSURE: 4634800 203.714 12.613 4.00581 12.6134 463.387 63.8595 4.005 63.8602 63.5952 GPRESSURE: 4634800 203.356 71.0508 100.367 -99.1189 503.877 119.557 2.07388 11.071 111.26 PRESSAVG: 4634800 37.672 13.1604 50.8841 13.1604 25.9528 -47.922 50.8841 -47.922 -81.7071 GPRESSAVG: 4634800 38.6747 15.5824 49.2912 11.6677 25.9943 -49.4297 52.9446 -48.0469 -82.6406 TIMING: 4634800 CPU: 13934.5, 0.00303732/step Wall: 13934.5, 0.00303732/step, 0.30812 hours remaining, 208.277344 MB of memory in use. ENERGY: 4634800 760.7663 2059.3253 1945.4481 119.1447 -206758.1520 18432.4416 0.0000 0.0000 34071.1967 -149369.8293 297.5522 -183441.0259 -149283.1393 298.2375 243.5654 272.8308 556569.1173 -6.0274 -5.9906 PRESSURE: 4635000 37.6037 -142.756 -119.213 -142.756 -110.71 -10.405 -119.213 -10.4057 -280.417 GPRESSURE: 4635000 68.0475 -168.222 -147.889 -62.1234 -120.952 -43.094 -67.4263 -142.935 -202.297 PRESSAVG: 4635000 12.4099 -35.558 5.31592 -35.558 8.51438 -17.0451 5.31587 -17.0451 -8.86643 GPRESSAVG: 4635000 13.8113 -35.6205 4.91617 -35.8197 7.21159 -14.5697 4.2912 -17.3309 -8.80048 TIMING: 4635000 CPU: 13935.1, 0.00307769/step Wall: 13935.1, 0.00307769/step, 0.312044 hours remaining, 208.277344 MB of memory in use. ENERGY: 4635000 751.0118 2094.2799 1970.3300 125.3910 -206024.7740 17607.0747 0.0000 0.0000 34177.6953 -149298.9914 298.4823 -183476.6867 -149208.1291 298.7437 -117.8411 -85.0670 557337.0020 4.0193 4.0741 PRESSURE: 4635200 51.4491 126.48 -25.6547 126.479 -70.1144 135.79 -25.6546 135.789 -166.164 GPRESSURE: 4635200 45.1392 186.14 -57.6019 72.6422 -60.0769 84.2175 -71.7136 159.109 -75.8163 PRESSAVG: 4635200 28.4514 12.2975 -26.8761 12.2974 -3.96807 21.917 -26.8761 21.917 -45.1909 GPRESSAVG: 4635200 27.9495 10.0863 -26.9343 15.2887 -3.40439 21.8675 -26.7165 20.9972 -45.1527 TIMING: 4635200 CPU: 13935.7, 0.00303427/step Wall: 13935.7, 0.00303427/step, 0.307472 hours remaining, 208.277344 MB of memory in use. ENERGY: 4635200 777.2063 2033.8634 1952.4355 118.5866 -206362.7992 17754.4388 0.0000 0.0000 34325.9009 -149400.3678 299.7766 -183726.2687 -149304.5862 299.5222 -61.6098 -30.2513 556980.7833 -6.9025 -6.8692 PRESSURE: 4635400 -50.4743 -209.919 -167.069 -209.92 -49.3187 -158.938 -167.069 -158.939 150.349 GPRESSURE: 4635400 17.7154 -195.334 -182.653 -161.856 -24.7134 -137.484 -125.24 -216.422 173.34 PRESSAVG: 4635400 44.8676 -15.9298 -19.4954 -15.9298 16.8602 -33.7395 -19.4955 -33.7395 -43.1777 GPRESSAVG: 4635400 43.6444 -14.8589 -18.5526 -17.6067 17.5969 -34.7257 -17.7307 -32.5372 -42.3754 TIMING: 4635400 CPU: 13936.3, 0.00302959/step Wall: 13936.3, 0.00302959/step, 0.30683 hours remaining, 208.277344 MB of memory in use. ENERGY: 4635400 772.5964 2084.5700 1940.3540 115.7308 -206242.0069 17802.3362 0.0000 0.0000 34176.8660 -149349.5535 298.4751 -183526.4195 -149251.1015 298.9698 16.8521 55.4474 557406.6494 6.1834 6.2886 PRESSURE: 4635600 116.958 -135.225 -118.828 -135.226 -191.636 -132.385 -118.827 -132.386 51.012 GPRESSURE: 4635600 153.716 -158.024 -40.6791 -110.792 -157.139 -75.1977 -161.383 -215.814 78.3066 PRESSAVG: 4635600 -2.92564 -30.086 -9.32527 -30.086 7.60204 -41.3096 -9.32529 -41.3096 22.2767 GPRESSAVG: 4635600 -2.64417 -30.2875 -8.82289 -30.9284 7.65245 -42.6916 -11.3106 -39.8976 21.5382 TIMING: 4635600 CPU: 13936.9, 0.0030306/step Wall: 13936.9, 0.0030306/step, 0.306764 hours remaining, 208.277344 MB of memory in use. ENERGY: 4635600 732.6324 2069.9889 1930.6744 103.5464 -206419.9232 17850.6284 0.0000 0.0000 34323.1195 -149409.3332 299.7523 -183732.4527 -149307.2764 298.8282 -7.8886 24.9610 557282.4661 8.9844 8.8488 PRESSURE: 4635800 -270.124 46.8962 -152.927 46.8959 49.8075 245.034 -152.927 245.035 -159.754 GPRESSURE: 4635800 -266.905 110.433 -208.913 79.6732 105.361 250.31 -180.229 86.3144 -118.843 PRESSAVG: 4635800 -4.54287 -35.7815 17.6595 -35.7814 31.5592 10.6756 17.6594 10.6755 -17.2548 GPRESSAVG: 4635800 -4.06234 -34.0354 16.3642 -35.7031 30.9151 11.6293 18.2873 9.09403 -17.376 TIMING: 4635800 CPU: 13937.5, 0.00304524/step Wall: 13937.5, 0.00304524/step, 0.308076 hours remaining, 208.277344 MB of memory in use. ENERGY: 4635800 734.4121 2140.6822 1936.0910 113.2081 -206232.0410 17748.2587 0.0000 0.0000 34045.5781 -149513.8107 297.3285 -183559.3888 -149419.8189 298.5869 -126.6900 -93.4625 558340.7842 3.2539 3.1589 PRESSURE: 4636000 -281.702 25.9774 -129.009 25.9777 -264.581 21.2142 -129.01 21.2149 -229.709 GPRESSURE: 4636000 -315.225 -24.2263 -107.982 -28.2583 -198.328 56.3603 -164.592 6.09687 -152.489 PRESSAVG: 4636000 -39.5395 3.88891 22.4696 3.88898 -12.028 17.1687 22.4695 17.1687 24.5856 GPRESSAVG: 4636000 -40.3484 2.79793 23.5652 4.14234 -11.9199 16.0183 22.4068 18.3421 24.6185 TIMING: 4636000 CPU: 13938.1, 0.00304421/step Wall: 13938.1, 0.00304421/step, 0.307804 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: 4636000 738.5410 2052.0676 1933.4003 116.3430 -205818.1340 17514.5393 0.0000 0.0000 33881.7031 -149581.5396 295.8973 -183463.2427 -149486.5857 297.9048 -258.6642 -222.0138 559711.2433 -8.9939 -9.2166 PRESSURE: 4636200 -246.401 -60.6677 -25.8029 -60.6659 142.062 -25.9769 -25.803 -25.9769 -148.804 GPRESSURE: 4636200 -232.965 -41.9681 -46.3303 -102.995 177.574 107.311 48.7588 -20.471 -100.437 PRESSAVG: 4636200 -47.3941 22.3886 15.1618 22.3885 65.2363 21.2244 15.1618 21.2243 -40.7093 GPRESSAVG: 4636200 -48.8629 21.7696 15.97 22.8786 64.7307 23.9834 14.2852 18.6073 -38.8406 TIMING: 4636200 CPU: 13938.7, 0.00302371/step Wall: 13938.7, 0.00302371/step, 0.305562 hours remaining, 208.277344 MB of memory in use. ENERGY: 4636200 740.6814 2117.8942 1928.2718 102.9462 -206361.7435 17784.4593 0.0000 0.0000 34106.1038 -149581.3867 297.8571 -183687.4906 -149488.2757 298.2359 -84.3812 -51.9425 557389.0306 -7.6224 -7.6576 LDB: ============= START OF LOAD BALANCING ============== 13942.2 LDB: ============== END OF LOAD BALANCING =============== 13942.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13942.2 LDB: ============= START OF LOAD BALANCING ============== 13942.5 LDB: Largest compute 4820 load 0.029904 is 25.3% of average load 0.118175 LDB: Average compute 0.001735 is 1.5% of average load 0.118175 LDB: TIME 13942.5 LOAD: AVG 0.118175 MAX 0.213199 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.258 MB LDB: TIME 13942.5 LOAD: AVG 0.118175 MAX 0.213199 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.461 MB LDB: TIME 13942.5 LOAD: AVG 0.118175 MAX 0.213199 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.461 MB LDB: ============== END OF LOAD BALANCING =============== 13942.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13942.5 PRESSURE: 4636400 -120.292 -160.759 -13.1714 -160.759 -122.041 15.805 -13.1713 15.8046 113.763 GPRESSURE: 4636400 -108.706 -145.325 -22.0363 -159.799 -46.7461 -17.1854 16.8439 6.78948 138.48 PRESSAVG: 4636400 12.1816 -26.5772 45.5659 -26.5771 -53.0951 5.73001 45.566 5.72997 25.9719 GPRESSAVG: 4636400 12.7749 -24.1596 44.1756 -26.9018 -52.0892 6.66298 46.0861 6.33843 24.0868 TIMING: 4636400 CPU: 13939.4, 0.00309334/step Wall: 13939.4, 0.00309334/step, 0.312427 hours remaining, 208.515625 MB of memory in use. ENERGY: 4636400 700.3355 2135.4502 1934.2883 122.9266 -206084.9097 17697.4294 0.0000 0.0000 34205.2286 -149289.2511 298.7228 -183494.4797 -149192.9098 298.8166 -42.8568 -5.6575 557373.0798 -4.9805 -5.0758 PRESSURE: 4636600 164.939 16.1626 110.342 16.1638 7.44255 130.516 110.342 130.515 -121.897 GPRESSURE: 4636600 207.91 2.04372 120.249 23.1074 -20.9546 81.3878 135.163 99.1982 -32.9459 PRESSAVG: 4636600 5.90599 -79.3139 3.46285 -79.3139 41.0491 -43.2512 3.46287 -43.2512 20.6821 GPRESSAVG: 4636600 7.13444 -81.0111 1.68254 -78.8017 40.0391 -46.5627 4.45856 -42.2977 20.209 TIMING: 4636600 CPU: 13940, 0.0030298/step Wall: 13940, 0.0030298/step, 0.305842 hours remaining, 208.515625 MB of memory in use. ENERGY: 4636600 759.2917 2113.2214 1936.6815 116.6462 -206486.7698 18001.4066 0.0000 0.0000 34177.6362 -149381.8861 298.4818 -183559.5223 -149294.7825 298.9795 16.8285 51.3364 557429.4447 22.5457 22.4608 PRESSURE: 4636800 -102.664 -21.4815 107.201 -21.4808 -12.7811 -45.5514 107.202 -45.5517 62.315 GPRESSURE: 4636800 -79.0775 -16.6928 101.797 -43.9164 34.034 -59.1523 84.8225 -16.4968 83.5174 PRESSAVG: 4636800 -34.7379 -38.5669 0.0237874 -38.5669 112.219 62.9542 0.0238853 62.9543 -63.8375 GPRESSAVG: 4636800 -35.4887 -38.6766 2.91046 -39.8881 112.836 62.887 -1.00272 64.2432 -63.6055 TIMING: 4636800 CPU: 13940.6, 0.00304779/step Wall: 13940.6, 0.00304779/step, 0.307488 hours remaining, 208.515625 MB of memory in use. ENERGY: 4636800 738.0351 2131.4706 1934.5498 117.4398 -206035.6882 17782.6745 0.0000 0.0000 34164.5760 -149166.9424 298.3677 -183331.5184 -149072.2094 298.4516 -17.7100 12.8247 558564.7151 4.5477 4.5807 PRESSURE: 4637000 142.631 26.6936 -18.294 26.693 -86.1699 -76.4694 -18.2941 -76.4709 27.0362 GPRESSURE: 4637000 205.159 79.7724 32.6076 28.6399 -88.9545 -29.9119 5.23799 -62.0808 64.1482 PRESSAVG: 4637000 -27.9115 25.5176 19.0381 25.5176 28.6639 36.3906 19.038 36.3906 -22.3296 GPRESSAVG: 4637000 -29.1048 26.6833 17.3134 24.0853 29.2671 38.0477 18.0654 33.0563 -21.3286 TIMING: 4637000 CPU: 13941.2, 0.00303162/step Wall: 13941.2, 0.00303162/step, 0.305688 hours remaining, 208.515625 MB of memory in use. ENERGY: 4637000 760.4436 2128.9905 1968.8440 117.1871 -206237.3270 17837.2705 0.0000 0.0000 34186.2819 -149238.3093 298.5573 -183424.5912 -149146.1368 299.7851 27.8325 60.1175 557722.8558 -7.1924 -7.0555 PRESSURE: 4637200 -204.234 -66.062 77.062 -66.0626 -148.349 -19.7717 77.0609 -19.7717 -3.07614 GPRESSURE: 4637200 -192.975 -36.3681 117.612 -88.6223 -74.0665 0.840096 89.0705 76.5402 9.77962 PRESSAVG: 4637200 0.144489 0.106828 15.2979 0.106794 -20.1457 29.996 15.2979 29.996 -8.15573 GPRESSAVG: 4637200 -0.456402 -0.431254 16.3633 1.12576 -19.5137 28.1492 15.457 32.5698 -8.06576 TIMING: 4637200 CPU: 13941.8, 0.00305109/step Wall: 13941.8, 0.00305109/step, 0.307482 hours remaining, 208.515625 MB of memory in use. ENERGY: 4637200 762.9771 2069.8365 1948.2291 112.7762 -206015.5209 17687.6038 0.0000 0.0000 34367.8566 -149066.2416 300.1430 -183434.0982 -148963.5033 299.4957 -118.5530 -85.7539 559248.5199 -9.3856 -9.3453 PRESSURE: 4637400 -244.132 -11.5867 -49.9703 -11.586 43.2593 44.648 -49.9705 44.6482 -99.289 GPRESSURE: 4637400 -174.595 -42.561 -73.3158 24.1742 63.3538 102.867 -35.6177 -14.8336 -93.8933 PRESSAVG: 4637400 -16.0373 2.7283 13.5072 2.72829 -12.1345 59.6628 13.5072 59.6628 -7.71797 GPRESSAVG: 4637400 -13.7116 1.19958 13.3216 4.47561 -13.8119 60.5579 12.8448 58.7111 -8.11323 TIMING: 4637400 CPU: 13942.4, 0.00304113/step Wall: 13942.4, 0.00304113/step, 0.306309 hours remaining, 208.515625 MB of memory in use. ENERGY: 4637400 775.1231 1992.9010 1949.4086 114.6957 -206295.0925 17844.4088 0.0000 0.0000 34442.2299 -149176.3254 300.7926 -183618.5552 -149081.6579 299.9893 -100.0538 -68.3783 558493.2543 -11.9633 -11.8789 PRESSURE: 4637600 -34.211 77.7289 -154.712 77.7279 44.8346 -252.749 -154.713 -252.749 56.357 GPRESSURE: 4637600 12.4613 95.0425 -69.5786 33.1777 89.6462 -200.528 -251.977 -284.017 61.471 PRESSAVG: 4637600 52.3682 48.7274 -61.2605 48.7274 -22.0597 -23.1503 -61.2605 -23.1504 -4.04181 GPRESSAVG: 4637600 52.2686 50.6905 -61.3899 46.1916 -22.4298 -21.6706 -58.3251 -24.7747 -4.22652 TIMING: 4637600 CPU: 13943, 0.00306449/step Wall: 13943, 0.00306449/step, 0.308492 hours remaining, 208.515625 MB of memory in use. ENERGY: 4637600 755.1606 2012.2256 1955.0974 109.5805 -206316.4224 17848.4041 0.0000 0.0000 34603.0837 -149032.8705 302.1973 -183635.9542 -148936.5582 300.0826 22.3269 54.5262 558110.2098 8.7556 8.5374 PRESSURE: 4637800 -25.9157 -59.6914 -139.192 -59.6918 -8.26814 -78.9199 -139.194 -78.9202 16.3462 GPRESSURE: 4637800 12.1106 -118.669 -200.565 -21.2514 55.1156 -2.98233 -128.347 -106.179 11.1407 PRESSAVG: 4637800 22.821 -26.8982 -27.3057 -26.8981 -12.7755 26.3605 -27.3056 26.3605 -25.071 GPRESSAVG: 4637800 22.5487 -27.6709 -27.608 -25.0304 -12.5348 25.0655 -27.9144 28.1933 -25.4408 TIMING: 4637800 CPU: 13943.6, 0.00305226/step Wall: 13943.6, 0.00305226/step, 0.307091 hours remaining, 208.515625 MB of memory in use. ENERGY: 4637800 728.9267 2107.3445 1948.5147 105.9209 -206116.5050 17820.6933 0.0000 0.0000 34331.6709 -149073.4341 299.8270 -183405.1050 -148981.1203 300.0718 -5.9459 26.1223 558078.4490 -5.0085 -5.1423 PRESSURE: 4638000 -12.2736 -50.7708 -25.3023 -50.7697 -110.458 -73.3116 -25.3013 -73.3118 -287.377 GPRESSURE: 4638000 32.7115 -48.5438 -57.3517 -45.3374 -74.8646 -73.205 -5.29882 -57.7056 -267.463 PRESSAVG: 4638000 -2.56017 -66.8901 -10.8691 -66.8901 -8.17952 -3.25268 -10.8691 -3.25269 33.2711 GPRESSAVG: 4638000 -2.61675 -67.0768 -12.7474 -65.3561 -8.65842 -1.86361 -9.90842 -3.4658 33.6382 TIMING: 4638000 CPU: 13944.2, 0.00304002/step Wall: 13944.2, 0.00304002/step, 0.30569 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: 4638000 755.2101 2118.4633 1957.0418 116.9447 -205758.3319 17732.3167 0.0000 0.0000 34067.3729 -149010.9824 297.5188 -183078.3552 -148916.1582 299.6187 -136.7030 -103.2053 558425.7821 7.5105 7.4544 PRESSURE: 4638200 -171.577 -7.16141 -28.5727 -7.16224 -95.2923 -190.119 -28.5727 -190.12 211.679 GPRESSURE: 4638200 -120.693 -9.61557 -44.627 41.0668 -73.4706 -118.667 -32.7307 -205.277 242.463 PRESSAVG: 4638200 3.21346 -49.8834 -29.2764 -49.8834 -13.3521 -4.55815 -29.2764 -4.55813 1.29971 GPRESSAVG: 4638200 3.73633 -52.6047 -28.5844 -50.6644 -12.6901 -5.15292 -29.3815 -5.7001 0.502488 TIMING: 4638200 CPU: 13944.9, 0.00307553/step Wall: 13944.9, 0.00307553/step, 0.309091 hours remaining, 208.515625 MB of memory in use. ENERGY: 4638200 750.2772 2088.0961 1936.5366 103.1881 -205866.0298 17703.2797 0.0000 0.0000 34154.0408 -149130.6113 298.2757 -183284.6521 -149031.3567 299.3997 -18.3967 16.0996 558203.3492 -2.9463 -2.8171 PRESSURE: 4638400 83.575 -27.3256 64.5732 -27.3251 210.682 -47.8228 64.5719 -47.8215 -196.683 GPRESSURE: 4638400 126.123 -75.9953 73.6915 -26.0905 257.021 -64.3684 -4.85507 17.4148 -181.023 PRESSAVG: 4638400 -60.0903 19.0612 23.3479 19.0613 21.9069 22.4553 23.3479 22.4553 38.3452 GPRESSAVG: 4638400 -60.7948 20.3854 24.874 18.2512 21.7807 22.8352 21.2223 22.8467 39.1314 TIMING: 4638400 CPU: 13945.5, 0.00305604/step Wall: 13945.5, 0.00305604/step, 0.306963 hours remaining, 208.515625 MB of memory in use. ENERGY: 4638400 737.6038 2084.2086 1939.0438 118.8616 -205974.7036 17843.0728 0.0000 0.0000 34041.4775 -149210.4355 297.2927 -183251.9129 -149119.0505 298.6457 32.5245 67.3739 557766.4132 0.0540 0.0391 PRESSURE: 4638600 -71.3129 -8.16121 -98.005 -8.16126 -24.5702 -31.9467 -98.006 -31.9471 -14.3815 GPRESSURE: 4638600 -43.2531 6.41728 -0.187532 -44.7659 -53.4693 5.23373 -48.0042 -52.3406 88.384 PRESSAVG: 4638600 -38.2491 -0.434263 22.1587 -0.434266 8.74763 -26.1117 22.1585 -26.1118 45.6274 GPRESSAVG: 4638600 -38.1276 2.3191 21.3113 -2.97309 9.26715 -27.5425 22.8128 -23.9228 45.2729 TIMING: 4638600 CPU: 13946.1, 0.0030621/step Wall: 13946.1, 0.0030621/step, 0.307401 hours remaining, 208.515625 MB of memory in use. ENERGY: 4638600 766.5095 2097.5832 1927.4279 109.4363 -205976.7390 17546.0918 0.0000 0.0000 34299.6281 -149230.0623 299.5472 -183529.6904 -149138.1883 299.0909 -36.7549 -2.7795 555557.1323 5.3753 5.4708 PRESSURE: 4638800 -292.161 103.076 -4.19424 103.077 -311.754 -87.8098 -4.19324 -87.8116 -292.364 GPRESSURE: 4638800 -281.614 37.9793 -0.164479 114.012 -323.543 -128.986 -20.4703 -147.782 -186.32 PRESSAVG: 4638800 81.0599 2.68266 15.5661 2.68273 -66.4459 -27.9809 15.5662 -27.981 -24.9916 GPRESSAVG: 4638800 81.0807 1.63012 15.3573 3.91526 -68.14 -25.3664 15.2079 -29.6019 -23.3416 TIMING: 4638800 CPU: 13946.7, 0.00306542/step Wall: 13946.7, 0.00306542/step, 0.307563 hours remaining, 208.515625 MB of memory in use. ENERGY: 4638800 838.9585 2092.6963 1960.2112 101.0863 -206370.2043 17622.1180 0.0000 0.0000 34543.3293 -149211.8048 301.6755 -183755.1341 -149121.6518 300.1122 -298.7599 -263.8259 555832.0958 -3.4592 -3.4670 PRESSURE: 4639000 -433.152 49.5221 -70.471 49.5212 -165.25 -20.6219 -70.4704 -20.621 -150.125 GPRESSURE: 4639000 -384.059 68.9694 -133.084 79.2255 -83.3308 -42.8001 -53.9113 -49.2127 -181.617 PRESSAVG: 4639000 -34.998 27.2467 -28.2531 27.2466 17.2846 -51.0107 -28.2532 -51.0107 -71.803 GPRESSAVG: 4639000 -34.8483 25.3441 -25.9189 28.29 18.9071 -54.2556 -27.4995 -50.2514 -73.8535 TIMING: 4639000 CPU: 13947.3, 0.00300649/step Wall: 13947.3, 0.00300649/step, 0.301484 hours remaining, 208.515625 MB of memory in use. ENERGY: 4639000 811.8290 2045.2624 1962.5489 117.7901 -206155.7983 17617.3871 0.0000 0.0000 34426.4273 -149174.5536 300.6546 -183600.9808 -149073.7969 299.9136 -249.5090 -216.3354 556664.8270 -29.8388 -29.9316 PRESSURE: 4639200 -134.044 -146.339 168.058 -146.339 122.367 99.2298 168.057 99.2281 -52.0294 GPRESSURE: 4639200 -53.5652 -76.2656 163.526 -125 134.03 23.1871 75.5183 38.9083 -49.3811 PRESSAVG: 4639200 -14.88 3.22537 -15.2069 3.22536 15.168 -53.9365 -15.2069 -53.9365 -20.7916 GPRESSAVG: 4639200 -15.1847 2.57005 -16.1826 2.87241 14.6851 -52.6939 -14.8027 -55.4788 -19.9972 TIMING: 4639200 CPU: 13947.9, 0.00304962/step Wall: 13947.9, 0.00304962/step, 0.30564 hours remaining, 208.515625 MB of memory in use. ENERGY: 4639200 778.9028 2051.1446 1927.2372 119.8623 -206196.5311 17810.4924 0.0000 0.0000 34289.5267 -149219.3651 299.4590 -183508.8918 -149111.3245 298.9397 -21.2356 10.3611 557230.0475 -6.8345 -6.8323 PRESSURE: 4639400 -86.549 -16.0691 86.5538 -16.0681 -128.981 -204.235 86.5547 -204.235 65.8416 GPRESSURE: 4639400 -36.9996 -37.013 105.689 37.7891 -117.436 -48.0882 22.9562 -318.796 98.7095 PRESSAVG: 4639400 16.0118 -35.3515 0.470293 -35.3515 -46.2199 28.9209 0.470332 28.9209 49.6805 GPRESSAVG: 4639400 16.2586 -31.6427 0.860336 -34.8152 -46.4798 29.1417 -0.792326 29.6343 49.4961 TIMING: 4639400 CPU: 13948.5, 0.00305641/step Wall: 13948.5, 0.00305641/step, 0.306151 hours remaining, 208.515625 MB of memory in use. ENERGY: 4639400 764.1454 2154.1633 1959.9034 135.4230 -206244.1495 17872.5557 0.0000 0.0000 34263.7055 -149094.2532 299.2335 -183357.9587 -148997.0456 299.4825 -49.8960 -18.5753 559245.5411 6.4908 6.4249 PRESSURE: 4639600 -52.1956 57.9246 -6.93575 57.9243 -110.352 66.0163 -6.93632 66.016 -161.253 GPRESSURE: 4639600 -39.5509 15.0472 36.0414 63.7009 -50.3095 130.586 34.2919 37.6231 -130.33 PRESSAVG: 4639600 -30.3794 -14.6626 28.6979 -14.6625 12.6669 16.0385 28.6979 16.0385 -21.8622 GPRESSAVG: 4639600 -31.7756 -14.7569 28.4687 -16.7598 12.9019 14.9054 29.7852 18.033 -20.1408 TIMING: 4639600 CPU: 13949.1, 0.00306004/step Wall: 13949.1, 0.00306004/step, 0.306344 hours remaining, 208.515625 MB of memory in use. ENERGY: 4639600 736.1544 2116.8919 1919.5993 110.4446 -206009.0905 17668.1289 0.0000 0.0000 34158.2725 -149299.5987 298.3127 -183457.8713 -149201.5734 299.1710 -107.9335 -73.3967 559472.3574 -13.1916 -13.0048 PRESSURE: 4639800 -5.462 107.311 -159.567 107.311 -233.218 -181.699 -159.567 -181.7 -31.3867 GPRESSURE: 4639800 -46.573 157.458 -151.876 35.044 -188.791 -301.828 -108.263 -103.8 59.5073 PRESSAVG: 4639800 -41.9393 21.2741 6.91625 21.2741 -27.6347 -33.6015 6.91622 -33.6016 64.6812 GPRESSAVG: 4639800 -39.8619 18.8369 7.30864 23.9213 -28.4235 -32.789 8.8082 -33.5932 63.6959 TIMING: 4639800 CPU: 13949.7, 0.00307197/step Wall: 13949.7, 0.00307197/step, 0.307368 hours remaining, 208.515625 MB of memory in use. ENERGY: 4639800 722.6648 2130.1982 1937.0498 115.1605 -206473.9617 17638.3213 0.0000 0.0000 34351.3009 -149579.2662 299.9985 -183930.5671 -149483.7274 298.9707 -90.0222 -58.6188 557744.6953 -1.6309 -1.5298 PRESSURE: 4640000 3.13595 113.02 -193.728 113.02 -2.01589 85.7242 -193.729 85.725 114.784 GPRESSURE: 4640000 23.7267 90.5958 -177.866 134.303 19.3682 92.1248 -196.293 132.582 168.149 PRESSAVG: 4640000 30.4734 25.4194 -23.6263 25.4194 -45.2939 -30.4644 -23.6263 -30.4645 -3.72791 GPRESSAVG: 4640000 30.1442 27.4785 -26.0498 23.7399 -44.2037 -29.9694 -24.4067 -32.2094 -4.83581 TIMING: 4640000 CPU: 13950.4, 0.00306029/step Wall: 13950.4, 0.00306029/step, 0.306029 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: 4640000 735.1317 2094.3823 1962.9799 115.4059 -206611.8253 17998.7773 0.0000 0.0000 34384.4652 -149320.6830 300.2881 -183705.1481 -149220.7176 298.7877 38.6346 70.4147 556860.6890 -6.1828 -6.2984 PRESSURE: 4640200 -300.149 23.9536 -96.778 23.9532 94.9079 -173.4 -96.7778 -173.399 -122.713 GPRESSURE: 4640200 -231.066 14.1518 -116.524 41.0654 115.577 -90.6426 -162.617 -187.374 -93.2381 PRESSAVG: 4640200 5.95027 31.1261 -22.1244 31.1261 -20.1909 3.88938 -22.1244 3.88935 14.6855 GPRESSAVG: 4640200 6.0364 29.4909 -20.7744 31.2696 -20.8118 3.6064 -24.3235 4.34529 15.6261 TIMING: 4640200 CPU: 13951, 0.00305498/step Wall: 13951, 0.00305498/step, 0.305329 hours remaining, 208.515625 MB of memory in use. ENERGY: 4640200 756.7692 2101.0993 1985.8843 98.9601 -206110.9957 17707.3969 0.0000 0.0000 34333.2050 -149127.6809 299.8404 -183460.8859 -149026.5922 299.0755 -109.3179 -69.5756 558018.1759 0.1483 0.2836 LDB: ============= START OF LOAD BALANCING ============== 13954.4 LDB: ============== END OF LOAD BALANCING =============== 13954.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13954.4 LDB: ============= START OF LOAD BALANCING ============== 13954.7 LDB: Largest compute 4820 load 0.029983 is 25.4% of average load 0.118162 LDB: Average compute 0.001740 is 1.5% of average load 0.118162 LDB: TIME 13954.7 LOAD: AVG 0.118162 MAX 0.216333 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.723 MB LDB: TIME 13954.7 LOAD: AVG 0.118162 MAX 0.216333 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.723 MB LDB: TIME 13954.7 LOAD: AVG 0.118162 MAX 0.216333 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.723 MB LDB: ============== END OF LOAD BALANCING =============== 13954.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13954.7 PRESSURE: 4640400 -32.1033 -109.268 -124.158 -109.267 9.98745 -67.3582 -124.159 -67.3586 -78.9945 GPRESSURE: 4640400 11.6552 -10.1612 -120.965 -191.963 3.52587 -32.962 -55.4217 -66.8474 -12.4686 PRESSAVG: 4640400 21.8563 24.0421 47.5348 24.042 -4.25532 -26.8961 47.5346 -26.896 4.99356 GPRESSAVG: 4640400 21.823 24.6612 48.4068 24.7002 -4.17923 -26.4476 49.2745 -26.5075 5.71109 TIMING: 4640400 CPU: 13951.6, 0.00311476/step Wall: 13951.6, 0.00311476/step, 0.31113 hours remaining, 207.746094 MB of memory in use. ENERGY: 4640400 758.3515 2065.0523 1965.4269 105.2895 -206217.4965 17949.0382 0.0000 0.0000 34093.1205 -149281.2176 297.7437 -183374.3381 -149184.5294 299.0893 -33.7035 0.9042 558488.2824 7.5315 7.7849 PRESSURE: 4640600 -82.0973 82.393 131.243 82.3927 -256.727 49.9029 131.243 49.9041 138.323 GPRESSURE: 4640600 -77.9504 155.386 114.92 87.5014 -176.017 54.0094 70.1813 5.05062 155.489 PRESSAVG: 4640600 42.0779 -2.4124 -19.4149 -2.41241 -34.7923 -31.6173 -19.4148 -31.6174 -2.20527 GPRESSAVG: 4640600 42.1036 -2.40385 -17.6229 -3.77301 -34.7918 -30.7653 -22.3287 -33.7658 -1.62866 TIMING: 4640600 CPU: 13952.2, 0.0030518/step Wall: 13952.2, 0.0030518/step, 0.304671 hours remaining, 207.746094 MB of memory in use. ENERGY: 4640600 735.0437 2132.8944 1943.9030 110.5138 -205987.1340 17808.3974 0.0000 0.0000 34179.7069 -149076.6747 298.4999 -183256.3817 -148979.1578 299.3130 -66.8339 -32.8262 559359.2844 1.6934 1.8944 PRESSURE: 4640800 -155.016 -37.9196 -86.0295 -37.9189 -6.12673 35.2377 -86.0289 35.238 55.7368 GPRESSURE: 4640800 -132.122 -166.905 -76.6921 -8.02713 51.5097 89.7785 -170.448 -13.7648 77.1502 PRESSAVG: 4640800 -86.7528 8.9339 1.06273 8.93394 -29.449 -17.8599 1.0627 -17.8599 25.19 GPRESSAVG: 4640800 -86.0337 5.38948 -1.27847 10.2361 -29.386 -16.4177 2.66801 -17.1285 23.9129 TIMING: 4640800 CPU: 13952.8, 0.00303975/step Wall: 13952.8, 0.00303975/step, 0.3033 hours remaining, 207.746094 MB of memory in use. ENERGY: 4640800 765.4817 2119.7739 1940.8505 112.3768 -206253.8057 17997.3847 0.0000 0.0000 34269.9094 -149048.0287 299.2876 -183317.9380 -148955.1745 300.1634 -35.1353 -1.1539 558636.8198 -30.3373 -30.5023 PRESSURE: 4641000 -65.2363 29.5133 -78.1856 29.5137 -37.9822 -95.9369 -78.1852 -95.9377 -186.943 GPRESSURE: 4641000 -18.9451 -24.759 -109.484 123.84 -46.4475 -32.3632 -32.5173 -51.5813 -130.829 PRESSAVG: 4641000 -51.0702 -3.48537 23.0294 -3.48536 36.0757 -35.8241 23.0295 -35.8242 -5.65265 GPRESSAVG: 4641000 -51.7762 0.467916 22.3069 -5.63791 35.8702 -39.183 22.5924 -34.2332 -4.63809 TIMING: 4641000 CPU: 13953.4, 0.0030281/step Wall: 13953.4, 0.0030281/step, 0.301969 hours remaining, 207.746094 MB of memory in use. ENERGY: 4641000 740.3545 2058.1825 1953.2064 119.6972 -206264.0706 17762.9768 0.0000 0.0000 34423.0926 -149206.5607 300.6254 -183629.6533 -149109.0277 299.4896 -96.7204 -65.4073 558288.8624 -6.8824 -6.8480 PRESSURE: 4641200 -57.1239 -37.9791 -107.353 -37.9784 -106.169 -25.5673 -107.353 -25.5668 67.0534 GPRESSURE: 4641200 -71.6188 -55.0483 -88.5061 53.6034 -53.2025 2.68977 -123.037 16.5587 117.632 PRESSAVG: 4641200 -25.2042 17.6144 -16.9234 17.6144 49.6904 29.8537 -16.9234 29.8537 -7.69139 GPRESSAVG: 4641200 -26.1899 16.7838 -16.2237 19.311 50.0957 33.2278 -16.669 29.3319 -7.07294 TIMING: 4641200 CPU: 13954, 0.00303899/step Wall: 13954, 0.00303899/step, 0.302886 hours remaining, 207.746094 MB of memory in use. ENERGY: 4641200 744.8352 2143.0852 1947.2751 106.3983 -206283.3896 17889.0706 0.0000 0.0000 34265.8864 -149186.8389 299.2525 -183452.7253 -149093.3679 299.2302 -32.0799 -2.3965 558782.5578 5.5983 5.6109 PRESSURE: 4641400 -84.3907 -81.992 2.7585 -81.9918 -20.3875 1.51584 2.75848 1.51518 116.137 GPRESSURE: 4641400 -89.2311 -45.0729 -99.0472 -117.209 31.5106 14.1463 4.79466 -6.51378 173.237 PRESSAVG: 4641400 -81.1601 45.6427 -2.25412 45.6427 76.9468 -18.6564 -2.25421 -18.6562 -5.20704 GPRESSAVG: 4641400 -79.5013 44.576 -3.41073 45.0751 76.7689 -20.7678 -1.51838 -20.9345 -6.6349 TIMING: 4641400 CPU: 13954.6, 0.00302725/step Wall: 13954.6, 0.00302725/step, 0.301548 hours remaining, 207.746094 MB of memory in use. ENERGY: 4641400 759.2563 2088.9820 1943.4190 115.3299 -206160.0975 17984.5834 0.0000 0.0000 34242.6218 -149025.9051 299.0493 -183268.5268 -148929.4723 299.1922 3.7863 38.5054 557069.6744 -3.1401 -3.1225 PRESSURE: 4641600 137.031 28.5477 -102.818 28.5472 109.778 -50.0216 -102.817 -50.023 176.673 GPRESSURE: 4641600 220.294 1.99823 -116.384 -58.7755 95.4095 2.95168 -116.275 -13.8192 198.507 PRESSAVG: 4641600 -5.2822 -22.6452 22.0209 -22.6452 -34.9258 -1.42258 22.0209 -1.42253 65.8392 GPRESSAVG: 4641600 -5.17206 -21.9367 24.224 -23.2039 -36.4339 -3.43997 20.6994 1.61046 66.6956 TIMING: 4641600 CPU: 13955.2, 0.00304015/step Wall: 13955.2, 0.00304015/step, 0.302664 hours remaining, 207.746094 MB of memory in use. ENERGY: 4641600 760.5649 2120.7019 1956.7167 114.7634 -206352.2086 18199.4714 0.0000 0.0000 34302.9289 -148897.0614 299.5760 -183199.9903 -148803.3712 299.5556 141.1606 171.4036 557360.4461 8.5437 8.3632 PRESSURE: 4641800 178.528 139.367 114.24 139.366 137.421 -132.671 114.239 -132.671 -134.737 GPRESSURE: 4641800 143.332 175.892 109.808 150.641 224.283 -140.211 239.568 -207.469 -100.781 PRESSAVG: 4641800 50.5268 45.7646 9.82255 45.7645 -58.6105 -61.8451 9.82256 -61.845 8.05116 GPRESSAVG: 4641800 50.707 44.2044 9.48275 48.1085 -57.1327 -58.9968 11.3976 -63.2754 6.45238 TIMING: 4641800 CPU: 13955.8, 0.00303453/step Wall: 13955.8, 0.00303453/step, 0.301935 hours remaining, 207.746094 MB of memory in use. ENERGY: 4641800 724.2785 2096.2661 1926.2569 116.1703 -206075.5278 17889.7573 0.0000 0.0000 34215.2281 -149107.5706 298.8101 -183322.7987 -149007.5848 299.5784 60.4040 88.9447 556998.8554 -0.0108 0.0089 PRESSURE: 4642000 -31.6127 -12.3087 114.088 -12.3085 -43.9982 -13.4145 114.088 -13.4144 -2.1702 GPRESSURE: 4642000 8.84197 47.1828 -30.9115 74.0529 2.52146 -95.8806 228.681 -2.8245 1.0312 PRESSAVG: 4642000 70.8644 28.0571 85.4839 28.0571 -44.6731 -9.07505 85.4839 -9.07506 11.2001 GPRESSAVG: 4642000 70.3867 28.661 83.9466 27.0435 -45.4223 -10.0653 86.4795 -8.58373 12.3461 TIMING: 4642000 CPU: 13956.4, 0.00303429/step Wall: 13956.4, 0.00303429/step, 0.301743 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: 4642000 739.0179 2132.2271 1962.4327 116.2981 -206418.6278 17901.0691 0.0000 0.0000 34506.5795 -149061.0034 301.3545 -183567.5828 -148958.6153 299.1949 -25.9270 4.1315 557531.0531 12.4638 12.4368 PRESSURE: 4642200 97.4451 -30.8073 129.248 -30.8074 144.612 -186.859 129.249 -186.857 -379.073 GPRESSURE: 4642200 150.446 11.2396 92.542 10.2587 165.585 -103.877 161.019 -232.656 -335.641 PRESSAVG: 4642200 42.08 21.0109 32.2661 21.011 19.0854 -8.91973 32.2662 -8.9197 -73.8643 GPRESSAVG: 4642200 43.0017 22.5653 32.4585 20.8374 19.3527 -8.17875 32.9285 -9.06618 -74.864 TIMING: 4642200 CPU: 13957.1, 0.00305205/step Wall: 13957.1, 0.00305205/step, 0.30334 hours remaining, 207.746094 MB of memory in use. ENERGY: 4642200 737.9102 2051.2912 1932.3350 116.1966 -206181.2205 17811.0536 0.0000 0.0000 34452.6714 -149079.7624 300.8837 -183532.4338 -148977.5606 299.9767 -45.6720 -6.5370 557395.5236 -4.2330 -4.1699 PRESSURE: 4642400 -84.4156 -114.697 -15.6943 -114.697 -65.3169 -123.571 -15.6951 -123.572 -81.6983 GPRESSURE: 4642400 -52.8796 5.22705 -26.0753 -207.81 -66.3253 -136.659 -55.9017 -21.1167 -2.13517 PRESSAVG: 4642400 21.2692 14.9436 4.70937 14.9436 40.8112 32.7703 4.70942 32.7703 -80.8789 GPRESSAVG: 4642400 21.3897 14.2231 5.02059 15.1992 41.6578 32.0827 2.72752 33.1981 -82.0083 TIMING: 4642400 CPU: 13957.7, 0.00305762/step Wall: 13957.7, 0.00305762/step, 0.303724 hours remaining, 207.746094 MB of memory in use. ENERGY: 4642400 734.1950 2120.5251 1978.7540 114.7303 -206008.6408 17620.9777 0.0000 0.0000 34403.4880 -149035.9707 300.4542 -183439.4588 -148944.5958 299.4524 -77.1436 -40.4467 557807.6401 -6.2662 -6.3203 PRESSURE: 4642600 -237.979 -5.41564 107.792 -5.41732 158.745 189.935 107.791 189.935 -153.775 GPRESSURE: 4642600 -201.336 -72.1083 78.3529 49.1307 162.182 165.735 53.5742 253.742 -97.8284 PRESSAVG: 4642600 31.0836 -1.32678 41.986 -1.32675 23.837 20.9477 41.9861 20.9475 -76.6758 GPRESSAVG: 4642600 31.4321 -2.78644 41.8906 -2.24843 22.7503 19.9752 41.1512 21.4818 -76.1518 TIMING: 4642600 CPU: 13958.3, 0.00309286/step Wall: 13958.3, 0.00309286/step, 0.307052 hours remaining, 207.746094 MB of memory in use. ENERGY: 4642600 739.9625 2062.0819 1900.5986 100.4347 -205829.9460 17631.1213 0.0000 0.0000 34319.6802 -149076.0669 299.7223 -183395.7471 -148976.1063 299.8347 -77.6695 -45.6610 557047.3131 -7.2517 -7.3231 PRESSURE: 4642800 195.848 -19.6565 259.15 -19.6579 155.843 28.9675 259.151 28.9669 -43.5109 GPRESSURE: 4642800 189.794 36.528 174.106 -39.5093 171.374 6.94143 201.79 118.476 33.8069 PRESSAVG: 4642800 72.6158 4.46861 50.5626 4.46856 -43.7991 53.2881 50.5626 53.2881 -15.7873 GPRESSAVG: 4642800 71.1502 5.84115 49.9037 5.50603 -43.9641 55.572 53.1666 50.5478 -14.3872 TIMING: 4642800 CPU: 13958.9, 0.00307139/step Wall: 13958.9, 0.00307139/step, 0.30475 hours remaining, 207.746094 MB of memory in use. ENERGY: 4642800 738.4912 2095.7270 1954.8537 114.3072 -206354.5862 17846.9300 0.0000 0.0000 34529.3489 -149074.9283 301.5534 -183604.2772 -148981.4527 300.6205 102.7267 131.6585 555541.0379 4.3431 4.2663 PRESSURE: 4643000 95.5753 47.0451 -217.983 47.045 -115.048 -101.696 -217.982 -101.697 10.2967 GPRESSURE: 4643000 148.991 -67.8064 -178.799 66.7711 -95.3939 -71.5173 -300.915 -92.4341 29.2265 PRESSAVG: 4643000 42.509 5.14323 24.4884 5.14324 17.3451 -21.411 24.4885 -21.411 6.80669 GPRESSAVG: 4643000 42.1308 6.30311 25.8662 4.9104 16.4722 -21.565 23.8985 -19.9799 7.94708 TIMING: 4643000 CPU: 13959.5, 0.00303344/step Wall: 13959.5, 0.00303344/step, 0.300816 hours remaining, 207.746094 MB of memory in use. ENERGY: 4643000 715.4903 2113.5545 1934.2677 102.0153 -205968.1861 17547.1942 0.0000 0.0000 34402.2132 -149153.4509 300.4431 -183555.6642 -149049.7384 300.9011 -3.0585 27.6079 556277.4028 22.2203 22.1834 PRESSURE: 4643200 85.3252 70.4471 -19.9744 70.4479 -319.49 -189.908 -19.9746 -189.908 0.786873 GPRESSURE: 4643200 133.414 45.3749 -26.4409 39.3222 -274.891 -191.415 95.0184 -159.035 5.43521 PRESSAVG: 4643200 -19.7406 41.9295 19.5572 41.9295 4.81001 -4.27828 19.5572 -4.27832 -6.70864 GPRESSAVG: 4643200 -20.7885 39.9396 17.6748 43.7679 6.70357 -2.62594 19.8875 -6.75381 -7.62097 TIMING: 4643200 CPU: 13960.1, 0.00303418/step Wall: 13960.1, 0.00303418/step, 0.300721 hours remaining, 207.746094 MB of memory in use. ENERGY: 4643200 752.8661 2121.5734 1954.7329 106.9092 -205799.8179 17411.3336 0.0000 0.0000 34251.1726 -149201.2301 299.1240 -183452.4027 -149105.1616 299.5792 -77.7928 -45.3473 556482.1481 -7.2131 -7.2353 PRESSURE: 4643400 138.165 87.0431 -43.0095 87.0429 -83.689 -240.99 -43.0099 -240.99 15.1361 GPRESSURE: 4643400 210.359 52.9474 -95.4574 65.1963 -54.0864 -212.354 -14.5688 -290.44 8.26423 PRESSAVG: 4643400 -5.68464 71.916 13.1624 71.916 -11.3301 -20.8304 13.1624 -20.8304 -32.3661 GPRESSAVG: 4643400 -4.69179 72.1508 15.7588 70.4468 -11.0994 -23.9545 11.2375 -18.1447 -33.8651 TIMING: 4643400 CPU: 13960.7, 0.00305653/step Wall: 13960.7, 0.00305653/step, 0.302766 hours remaining, 207.746094 MB of memory in use. ENERGY: 4643400 783.4275 2082.2850 1969.5560 116.2760 -206096.7744 17907.8907 0.0000 0.0000 34050.9611 -149186.3781 297.3755 -183237.3392 -149093.7603 299.4430 23.2039 54.8455 558000.0856 -16.4603 -16.5521 PRESSURE: 4643600 205.764 30.4721 60.918 30.472 -35.462 -248.562 60.9177 -248.561 -221.934 GPRESSURE: 4643600 200.844 87.7263 97.7305 5.39138 23.3509 -197.915 -42.5723 -263.906 -169.567 PRESSAVG: 4643600 36.9242 18.4889 7.84947 18.4889 18.3763 -29.9579 7.84951 -29.958 -36.0236 GPRESSAVG: 4643600 37.8527 18.1613 6.71975 18.5027 15.0387 -29.5367 8.26617 -30.7078 -33.9167 TIMING: 4643600 CPU: 13961.3, 0.00305703/step Wall: 13961.3, 0.00305703/step, 0.302646 hours remaining, 207.746094 MB of memory in use. ENERGY: 4643600 728.3393 2099.8560 1965.5332 106.0861 -206275.8161 17666.6220 0.0000 0.0000 34578.3091 -149131.0704 301.9810 -183709.3795 -149037.6015 299.8364 -17.2107 18.2094 557310.2980 6.4256 6.3249 PRESSURE: 4643800 -264.586 97.0278 226.597 97.0293 -70.4962 105.824 226.597 105.825 119.973 GPRESSURE: 4643800 -256.337 100.424 230.564 66.7108 -20.7117 62.8967 204.84 86.4134 161.72 PRESSAVG: 4643800 26.2242 27.9439 60.8642 27.944 1.727 -17.8712 60.8642 -17.8711 4.5757 GPRESSAVG: 4643800 26.16 29.2581 60.5971 28.5986 3.72528 -18.7462 60.3097 -15.4722 3.20622 TIMING: 4643800 CPU: 13961.9, 0.00306427/step Wall: 13961.9, 0.00306427/step, 0.303192 hours remaining, 207.746094 MB of memory in use. ENERGY: 4643800 730.1239 2125.7767 1969.6357 123.0283 -205975.7719 17677.4431 0.0000 0.0000 34248.3373 -149101.4271 299.0992 -183349.7643 -149008.4514 299.7687 -71.7030 -38.4427 559403.4419 10.8423 11.0305 PRESSURE: 4644000 217.977 -91.0073 51.151 -91.0068 229.031 78.732 51.1497 78.7331 197.044 GPRESSURE: 4644000 243.756 12.078 -58.6343 -200.066 222.837 73.9506 92.2372 55.15 264.207 PRESSAVG: 4644000 -92.9143 24.9019 5.72073 24.9019 58.0516 13.1812 5.72078 13.1813 25.1895 GPRESSAVG: 4644000 -92.1923 24.345 5.2201 23.6009 56.8954 14.0898 8.05813 9.41173 25.7942 TIMING: 4644000 CPU: 13962.6, 0.0030591/step Wall: 13962.6, 0.0030591/step, 0.302511 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: 4644000 776.0714 2115.7725 1944.3735 109.8768 -206957.6613 18430.4733 0.0000 0.0000 34403.7137 -149177.3801 300.4562 -183581.0938 -149079.6025 299.2192 214.6838 243.6001 559263.6028 -3.2244 -3.1676 PRESSURE: 4644200 -8.53092 -8.27135 27.2076 -8.27104 -41.7285 -52.2872 27.2073 -52.2852 57.7896 GPRESSURE: 4644200 10.0685 110.44 15.2172 6.84963 0.283957 11.8182 53.2011 -106.958 97.3552 PRESSAVG: 4644200 -9.11754 24.5833 -10.9026 24.5834 -2.4673 4.70298 -10.9026 4.70307 23.612 GPRESSAVG: 4644200 -9.87369 22.7374 -11.0514 26.8472 -1.63979 4.73178 -11.8649 4.9601 23.8187 TIMING: 4644200 CPU: 13963.2, 0.00307093/step Wall: 13963.2, 0.00307093/step, 0.30351 hours remaining, 207.746094 MB of memory in use. ENERGY: 4644200 754.3163 2137.5469 1934.5300 111.8791 -206563.8087 17986.8105 0.0000 0.0000 34222.6240 -149416.1019 298.8747 -183638.7259 -149319.8809 299.2465 2.5100 35.9026 557534.3503 4.0091 4.1017 LDB: ============= START OF LOAD BALANCING ============== 13966.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 13966.6 LDB: =============== DONE WITH MIGRATION ================ 13966.6 LDB: ============= START OF LOAD BALANCING ============== 13966.9 LDB: Largest compute 4820 load 0.028818 is 24.4% of average load 0.118094 LDB: Average compute 0.001740 is 1.5% of average load 0.118094 LDB: TIME 13966.9 LOAD: AVG 0.118094 MAX 0.219246 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.57 MB LDB: TIME 13966.9 LOAD: AVG 0.118094 MAX 0.219246 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.57 MB LDB: TIME 13966.9 LOAD: AVG 0.118094 MAX 0.219246 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.57 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 13966.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13966.9 PRESSURE: 4644400 -107.864 170.332 1.24883 170.331 -159.575 -2.91707 1.24864 -2.91518 -48.4065 GPRESSURE: 4644400 -36.4426 199.817 7.64801 118.127 -137.909 9.76066 -30.173 18.8786 -52.8155 PRESSAVG: 4644400 -8.6741 19.2597 16.0581 19.2597 9.17172 8.54928 16.0581 8.54936 -11.3142 GPRESSAVG: 4644400 -8.60057 19.9784 15.4253 17.8974 10.769 6.97395 14.4831 10.2417 -12.6816 TIMING: 4644400 CPU: 13963.8, 0.00312754/step Wall: 13963.8, 0.00312754/step, 0.308931 hours remaining, 208.242188 MB of memory in use. ENERGY: 4644400 710.9404 2159.6378 1937.3409 119.2802 -206332.1006 17828.2236 0.0000 0.0000 34279.1519 -149297.5259 299.3684 -183576.6778 -149200.9867 299.1668 -105.2819 -75.7223 558854.0139 -3.6055 -3.5044 PRESSURE: 4644600 145.202 -159.146 -41.7721 -159.145 229.955 -12.1694 -41.772 -12.1706 -165.599 GPRESSURE: 4644600 159.765 -82.0451 -47.9651 -233.957 239.895 -65.699 -36.0503 43.5852 -89.1805 PRESSAVG: 4644600 10.8051 -2.81714 -16.6611 -2.81716 -29.4536 46.8252 -16.6612 46.8252 28.3167 GPRESSAVG: 4644600 10.5566 -1.88339 -17.4539 -2.44293 -30.2617 47.8065 -14.7866 46.3876 30.0304 TIMING: 4644600 CPU: 13964.4, 0.0030465/step Wall: 13964.4, 0.0030465/step, 0.300757 hours remaining, 208.703125 MB of memory in use. ENERGY: 4644600 764.6914 2124.8661 1958.7568 123.5863 -206439.9021 17874.1262 0.0000 0.0000 34294.6266 -149299.2486 299.5035 -183593.8752 -149203.1373 299.3733 69.8526 103.4932 556212.9204 3.2227 3.4418 PRESSURE: 4644800 -93.5445 12.1038 -156.243 12.1043 -259.281 31.937 -156.243 31.935 -410.574 GPRESSURE: 4644800 -100.473 -41.5935 -104.824 -28.9482 -165.734 51.5648 -175.167 35.6711 -394.701 PRESSAVG: 4644800 12.6714 -7.17619 32.5481 -7.17618 34.47 -16.7025 32.5482 -16.7026 -43.1363 GPRESSAVG: 4644800 12.5378 -6.23005 34.241 -8.55404 34.4924 -15.7925 32.4126 -18.1687 -42.5737 TIMING: 4644800 CPU: 13965, 0.00305807/step Wall: 13965, 0.00305807/step, 0.30173 hours remaining, 208.703125 MB of memory in use. ENERGY: 4644800 756.6450 2046.1044 1928.9915 110.7053 -205759.3503 17519.5668 0.0000 0.0000 34183.0166 -149214.3206 298.5288 -183397.3372 -149117.0811 298.7863 -254.4666 -220.3027 558808.5988 1.3350 1.4855 PRESSURE: 4645000 -99.0927 15.4145 -180.737 15.4149 -171.448 -75.7994 -180.736 -75.7994 -121.22 GPRESSURE: 4645000 -45.9973 124.661 -249.494 44.7684 -138.641 -216.14 -173.463 46.7743 -110.94 PRESSAVG: 4645000 -52.9456 16.0999 -5.44956 16.0999 -3.19007 -67.4088 -5.44958 -67.409 38.8257 GPRESSAVG: 4645000 -52.6946 15.9704 -6.44935 18.3521 -2.89268 -69.7921 -5.48221 -65.486 38.7032 TIMING: 4645000 CPU: 13965.6, 0.00306947/step Wall: 13965.6, 0.00306947/step, 0.302684 hours remaining, 208.703125 MB of memory in use. ENERGY: 4645000 760.4970 2143.2107 1937.5438 123.0070 -206091.1249 17697.9792 0.0000 0.0000 34190.6412 -149238.2459 298.5954 -183428.8871 -149148.3778 299.2694 -130.5870 -98.5262 556775.4325 -5.7700 -5.6280 PRESSURE: 4645200 -249.246 -15.0198 -144.761 -15.0191 -177.889 -224.553 -144.76 -224.552 -23.0641 GPRESSURE: 4645200 -220.299 -12.4871 -144.113 -121.876 -101.115 -141.884 -132.166 -267.378 -36.6119 PRESSAVG: 4645200 -24.6561 25.2655 -10.0516 25.2656 -19.5028 -30.0178 -10.0515 -30.0177 48.7647 GPRESSAVG: 4645200 -23.6285 24.9386 -8.59441 23.5209 -20.0804 -27.9289 -10.239 -29.9512 48.2373 TIMING: 4645200 CPU: 13966.3, 0.00308643/step Wall: 13966.3, 0.00308643/step, 0.304185 hours remaining, 208.703125 MB of memory in use. ENERGY: 4645200 738.1042 2098.5308 1938.3992 138.6957 -206197.9119 17798.7825 0.0000 0.0000 34305.1753 -149180.2242 299.5956 -183485.3995 -149087.7039 298.9209 -150.0664 -119.3417 558199.0666 1.5353 1.5095 PRESSURE: 4645400 129.415 145.873 -56.3456 145.873 -72.9947 17.532 -56.3455 17.5319 4.36312 GPRESSURE: 4645400 173.991 150.018 -2.3303 105.431 -57.9424 -9.1238 -225.057 -7.59145 41.8604 PRESSAVG: 4645400 -31.246 38.542 -16.7745 38.542 -0.616005 -0.218935 -16.7745 -0.218954 35.6276 GPRESSAVG: 4645400 -31.5734 38.343 -16.0192 40.0204 0.00263947 0.0563495 -16.672 -2.74347 35.2369 TIMING: 4645400 CPU: 13966.9, 0.003054/step Wall: 13966.9, 0.003054/step, 0.300819 hours remaining, 208.757812 MB of memory in use. ENERGY: 4645400 715.2158 2107.3341 1935.1110 126.8405 -206119.0704 17818.0536 0.0000 0.0000 34273.6852 -149142.8302 299.3206 -183416.5153 -149055.3455 299.2069 20.2612 52.6362 556914.9640 1.2552 1.2220 PRESSURE: 4645600 -287.599 41.9051 57.5016 41.906 -385.153 76.8884 57.501 76.8884 -129.068 GPRESSURE: 4645600 -210.627 -3.26178 -96.7307 -18.7788 -306.363 100.573 164.701 55.7262 -175.948 PRESSAVG: 4645600 -44.8097 46.1528 13.7666 46.1527 58.0126 11.1105 13.7666 11.1105 -27.2545 GPRESSAVG: 4645600 -44.8766 43.444 11.8099 46.3058 57.707 11.4257 14.2853 11.7449 -27.051 TIMING: 4645600 CPU: 13967.5, 0.00302054/step Wall: 13967.5, 0.00302054/step, 0.297355 hours remaining, 208.757812 MB of memory in use. ENERGY: 4645600 745.7830 2080.5720 1937.9696 104.9220 -205798.6971 17406.9117 0.0000 0.0000 34348.5312 -149174.0076 299.9743 -183522.5388 -149072.0748 299.4515 -267.2736 -230.9795 559125.8929 -4.6838 -4.7402 PRESSURE: 4645800 -280.188 -292.349 -70.0077 -292.349 -24.7363 93.595 -70.0073 93.5963 40.6924 GPRESSURE: 4645800 -223.464 -297.579 -107.869 -287.24 -29.6918 53.1013 -42.3729 116.78 70.4629 PRESSAVG: 4645800 -78.2393 -30.5836 -0.772021 -30.5836 87.5227 24.4174 -0.772032 24.4174 -11.706 GPRESSAVG: 4645800 -76.9668 -28.274 1.76871 -31.9706 86.0211 24.0092 -3.5981 24.9158 -11.5082 TIMING: 4645800 CPU: 13968.1, 0.00303448/step Wall: 13968.1, 0.00303448/step, 0.298559 hours remaining, 208.757812 MB of memory in use. ENERGY: 4645800 780.0558 2097.5783 1953.2583 116.6727 -206221.7929 17804.5310 0.0000 0.0000 34395.2586 -149074.4382 300.3823 -183469.6968 -148984.4581 299.5189 -88.0772 -60.8977 559184.6105 -0.8075 -0.8179 PRESSURE: 4646000 -103.376 43.9709 -14.7192 43.9713 -102.88 17.389 -14.7188 17.3876 -150.4 GPRESSURE: 4646000 -94.034 85.3571 65.4749 11.4832 -62.58 -32.5544 -68.0145 77.5652 -87.1578 PRESSAVG: 4646000 -8.75687 23.5963 5.23096 23.5963 -16.0721 -5.60216 5.23091 -5.60222 27.4824 GPRESSAVG: 4646000 -9.29333 22.2521 3.85574 25.956 -16.0467 -6.06913 7.00851 -6.19836 27.7054 TIMING: 4646000 CPU: 13968.7, 0.00302907/step Wall: 13968.7, 0.00302907/step, 0.297858 hours remaining, 208.757812 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: 4646000 755.8088 2047.5409 1959.2634 106.2933 -205925.1895 17650.3707 0.0000 0.0000 34396.0992 -149009.8132 300.3897 -183405.9124 -148914.2369 300.3068 -118.8850 -81.2573 558843.2651 0.8845 0.7885 PRESSURE: 4646200 1.16355 -56.5864 337.774 -56.5868 122.735 130.519 337.774 130.518 -159.969 GPRESSURE: 4646200 34.27 -36.1347 379.877 -128.145 169.154 72.8129 247.04 158.526 -132.25 PRESSAVG: 4646200 -19.1675 57.6626 15.7291 57.6626 59.9185 29.4564 15.7291 29.4564 -29.7421 GPRESSAVG: 4646200 -18.6122 60.5719 17.8372 54.732 59.8272 28.8228 13.9214 30.4747 -30.3512 TIMING: 4646200 CPU: 13969.3, 0.00304834/step Wall: 13969.3, 0.00304834/step, 0.299584 hours remaining, 208.757812 MB of memory in use. ENERGY: 4646200 748.2986 2137.9216 1946.7630 104.7052 -205835.4131 17640.1922 0.0000 0.0000 34325.6611 -148931.8713 299.7745 -183257.5324 -148841.8565 300.1485 -12.0235 23.7245 556182.8746 3.6696 3.6213 PRESSURE: 4646400 73.315 -43.378 126.193 -43.3771 283.343 -94.8889 126.194 -94.8879 96.4143 GPRESSURE: 4646400 151.058 -17.131 110.943 -65.858 237.377 -61.0423 136.864 -179.599 161.714 PRESSAVG: 4646400 13.3667 -53.5164 52.4062 -53.5164 58.1991 58.8148 52.4063 58.8147 -14.5067 GPRESSAVG: 4646400 13.1709 -55.5808 50.3667 -50.9205 58.701 58.6723 54.8961 58.9534 -14.9757 TIMING: 4646400 CPU: 13969.9, 0.00306441/step Wall: 13969.9, 0.00306441/step, 0.300993 hours remaining, 208.757812 MB of memory in use. ENERGY: 4646400 738.5204 2100.1458 1973.0685 117.5930 -206388.3129 18022.2290 0.0000 0.0000 34405.5211 -149031.2353 300.4720 -183436.7563 -148932.8685 300.9314 151.0242 183.3830 556347.5906 19.0197 18.9654 PRESSURE: 4646600 82.258 18.948 -43.3879 18.9481 -34.7581 -52.9719 -43.387 -52.9735 44.9693 GPRESSURE: 4646600 79.5907 46.4666 -27.1447 13.1082 30.4667 -14.3397 -108.303 -16.9454 83.8225 PRESSAVG: 4646600 -1.32382 83.3459 75.086 83.3458 -10.1445 9.94811 75.0859 9.94805 2.2138 GPRESSAVG: 4646600 -3.62747 84.4265 75.2207 83.1054 -9.81796 11.7403 72.1933 9.38915 3.40847 TIMING: 4646600 CPU: 13970.5, 0.00305712/step Wall: 13970.5, 0.00305712/step, 0.300107 hours remaining, 208.769531 MB of memory in use. ENERGY: 4646600 766.0168 2113.7062 1960.7853 102.6178 -206128.0454 17800.3216 0.0000 0.0000 34501.9682 -148882.6295 301.3143 -183384.5977 -148790.8265 300.3749 30.8231 64.6266 557184.3333 -3.0848 -3.3457 PRESSURE: 4646800 -109.779 -88.9646 -64.2948 -88.9646 221.709 -176.552 -64.2956 -176.551 -190.966 GPRESSURE: 4646800 -62.6875 -118.961 -15.3939 -25.2423 228.635 -176.245 2.6134 -100.416 -149.971 PRESSAVG: 4646800 -11.9593 -13.3325 -7.90067 -13.3325 5.32068 17.0626 -7.90064 17.0626 55.1418 GPRESSAVG: 4646800 -10.4891 -13.6453 -7.96918 -13.7734 4.69336 17.9179 -6.57006 17.0904 54.1966 TIMING: 4646800 CPU: 13971.1, 0.00302486/step Wall: 13971.1, 0.00302486/step, 0.296772 hours remaining, 208.769531 MB of memory in use. ENERGY: 4646800 766.6137 2152.7974 1958.9874 118.4505 -205772.5884 17713.1919 0.0000 0.0000 34096.6927 -148965.8547 297.7749 -183062.5474 -148864.0253 300.3524 -26.3453 5.3257 557521.3697 16.1677 16.1336 PRESSURE: 4647000 77.479 61.6071 30.9777 61.6066 -320.331 -3.99241 30.9775 -3.99218 -139.799 GPRESSURE: 4647000 106.525 -21.7141 -12.6471 43.5341 -282.582 86.2154 11.9263 -36.3164 -109.601 PRESSAVG: 4647000 -12.2864 1.3269 8.26821 1.32689 -24.7737 -1.00293 8.26818 -1.00299 16.6132 GPRESSAVG: 4647000 -13.0358 2.66423 9.17666 0.587509 -24.2414 -0.739869 11.3401 -0.084966 17.575 TIMING: 4647000 CPU: 13971.7, 0.00305232/step Wall: 13971.7, 0.00305232/step, 0.299297 hours remaining, 208.769531 MB of memory in use. ENERGY: 4647000 748.9527 2062.1128 1958.9656 119.2971 -206088.2983 17678.6946 0.0000 0.0000 34456.3012 -149063.9743 300.9154 -183520.2755 -148962.4286 300.2059 -127.5505 -95.2193 556715.6541 -6.8157 -6.5674 PRESSURE: 4647200 -1.40305 80.9793 5.31007 80.9795 26.0016 -3.22466 5.3094 -3.22561 -87.6247 GPRESSURE: 4647200 51.4112 113.908 1.11304 21.7497 -2.74882 31.5364 32.1782 -42.8728 -24.9458 PRESSAVG: 4647200 58.314 28.9071 -5.38003 28.9071 -18.8559 28.1654 -5.38002 28.1654 2.83734 GPRESSAVG: 4647200 58.59 27.3982 -6.00685 29.2104 -18.007 25.5544 -6.52394 26.036 1.59204 TIMING: 4647200 CPU: 13972.3, 0.00307813/step Wall: 13972.3, 0.00307813/step, 0.301657 hours remaining, 208.769531 MB of memory in use. ENERGY: 4647200 770.3352 2105.8290 1933.7810 104.3134 -206308.2402 17802.3796 0.0000 0.0000 34533.6428 -149057.9592 301.5909 -183591.6021 -148957.6888 300.1775 -21.0087 7.9055 557875.3655 14.0985 14.0584 PRESSURE: 4647400 -217.693 -119.927 -89.8692 -119.927 -67.2737 -10.7172 -89.869 -10.7172 -365.824 GPRESSURE: 4647400 -204.53 -24.5155 -103.926 -55.4941 -8.61277 -63.9498 -34.031 38.3045 -340.064 PRESSAVG: 4647400 -62.0218 -10.145 -26.8872 -10.145 13.0159 -23.1755 -26.8872 -23.1756 35.606 GPRESSAVG: 4647400 -61.5362 -10.1957 -26.4647 -10.4119 12.256 -24.657 -25.4459 -20.8244 36.0902 TIMING: 4647400 CPU: 13973, 0.00310589/step Wall: 13973, 0.00310589/step, 0.304204 hours remaining, 208.769531 MB of memory in use. ENERGY: 4647400 737.0562 2051.0045 1948.0779 112.3901 -205724.7274 17466.6377 0.0000 0.0000 34188.8010 -149220.7598 298.5793 -183409.5608 -149125.9980 299.7333 -216.9302 -184.4023 558332.6320 -4.4666 -4.3967 PRESSURE: 4647600 196.091 -196.546 285.043 -196.546 58.153 5.02768 285.042 5.02635 53.0371 GPRESSURE: 4647600 186.744 -168.761 321.632 -244.178 152.815 -67.1837 246.468 46.8692 69.0495 PRESSAVG: 4647600 -59.9169 3.77961 44.9202 3.77961 81.1627 10.6001 44.9203 10.6002 -21.6917 GPRESSAVG: 4647600 -60.1795 3.18144 44.5533 2.10265 80.6277 12.5993 43.7278 9.18029 -21.2113 TIMING: 4647600 CPU: 13973.6, 0.00303575/step Wall: 13973.6, 0.00303575/step, 0.297167 hours remaining, 208.769531 MB of memory in use. ENERGY: 4647600 741.4101 2094.5581 1952.0336 123.3858 -206477.9225 17933.8170 0.0000 0.0000 34247.7634 -149384.9546 299.0942 -183632.7179 -149289.8503 298.9904 102.4271 136.2028 557266.5489 -0.1486 -0.2544 PRESSURE: 4647800 -139.92 10.1495 -12.1414 10.1489 85.2676 -152.599 -12.1427 -152.599 -61.9978 GPRESSURE: 4647800 -112.407 43.0389 49.4057 -22.1747 107.593 -104.715 -106.203 -192.162 -17.676 PRESSAVG: 4647800 -4.56623 1.63342 44.3706 1.63358 25.6078 -19.7338 44.3705 -19.7337 -34.6389 GPRESSAVG: 4647800 -4.86818 2.71027 43.7633 5.47552 25.3065 -18.6731 45.384 -21.2715 -33.7644 TIMING: 4647800 CPU: 13974.2, 0.00304832/step Wall: 13974.2, 0.00304832/step, 0.298228 hours remaining, 208.769531 MB of memory in use. ENERGY: 4647800 761.6524 2028.8895 1913.4901 111.1737 -206204.7186 17805.6642 0.0000 0.0000 34096.3960 -149487.4526 297.7723 -183583.8486 -149380.9777 299.0536 -38.8833 -7.4966 558712.7917 -4.5325 -4.4420 PRESSURE: 4648000 -28.2654 -29.6144 -58.3224 -29.6151 274.179 41.5626 -58.3233 41.5633 -34.5737 GPRESSURE: 4648000 14.7158 -76.5689 -9.35138 -74.94 272.406 141.423 -119.24 13.3363 24.1815 PRESSAVG: 4648000 -73.5298 17.3065 3.65289 17.3064 131.53 38.1679 3.65292 38.1679 -43.1236 GPRESSAVG: 4648000 -73.5723 17.0477 5.28435 14.6173 131.702 38.4818 3.47037 39.4517 -43.2252 TIMING: 4648000 CPU: 13974.8, 0.00304239/step Wall: 13974.8, 0.00304239/step, 0.297478 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: 4648000 708.7522 2046.5481 1920.6526 109.9802 -206535.4075 18066.7047 0.0000 0.0000 34055.4010 -149627.3686 297.4143 -183682.7696 -149523.9322 298.8955 70.4465 103.7677 555797.9001 4.9588 4.9683 PRESSURE: 4648200 193.619 -132.039 11.7402 -132.039 -25.9468 -46.8809 11.7398 -46.8792 -46.3516 GPRESSURE: 4648200 206.795 -187.063 39.1264 -121.477 21.6797 -106.334 12.9137 -9.57347 -5.88216 PRESSAVG: 4648200 -8.97338 -51.3325 -20.1504 -51.3326 68.1941 5.51818 -20.1504 5.51817 -40.3541 GPRESSAVG: 4648200 -8.72282 -51.3928 -18.6196 -49.1277 68.3667 4.28897 -22.4122 5.00131 -40.7134 TIMING: 4648200 CPU: 13975.4, 0.00305356/step Wall: 13975.4, 0.00305356/step, 0.2984 hours remaining, 208.769531 MB of memory in use. ENERGY: 4648200 725.2619 2076.5488 1950.7721 101.3335 -206407.3114 18056.3123 0.0000 0.0000 33996.1179 -149500.9648 296.8966 -183497.0828 -149400.6650 298.2128 40.4401 74.1975 557762.2643 6.2889 6.3102 LDB: ============= START OF LOAD BALANCING ============== 13978.8 LDB: ============== END OF LOAD BALANCING =============== 13978.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13978.8 LDB: ============= START OF LOAD BALANCING ============== 13979.1 LDB: Largest compute 4820 load 0.030425 is 25.7% of average load 0.118192 LDB: Average compute 0.001738 is 1.5% of average load 0.118192 LDB: TIME 13979.1 LOAD: AVG 0.118192 MAX 0.216847 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 13979.1 LOAD: AVG 0.118192 MAX 0.216847 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: TIME 13979.1 LOAD: AVG 0.118192 MAX 0.216847 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.48 MB LDB: ============== END OF LOAD BALANCING =============== 13979.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13979.1 PRESSURE: 4648400 -171.878 -43.198 40.1356 -43.198 -136.534 58.1951 40.1357 58.1949 28.4256 GPRESSURE: 4648400 -135.452 -11.9612 52.0099 -91.19 -111.233 81.2786 86.466 -0.998918 58.3012 PRESSAVG: 4648400 6.36097 -31.4124 -8.73076 -31.4124 22.2586 9.69184 -8.73076 9.69182 -35.8883 GPRESSAVG: 4648400 6.26428 -31.564 -9.94756 -32.5263 21.5252 9.63295 -8.2964 9.57726 -35.1262 TIMING: 4648400 CPU: 13976, 0.00307333/step Wall: 13976, 0.00307333/step, 0.300161 hours remaining, 209.328125 MB of memory in use. ENERGY: 4648400 757.4479 2077.8607 1921.4144 113.2242 -206216.1025 17741.3194 0.0000 0.0000 34182.5567 -149422.2792 298.5248 -183604.8358 -149323.9845 298.1972 -93.3286 -62.7945 558553.3949 -2.4229 -2.4456 PRESSURE: 4648600 25.6938 -51.4137 84.7608 -51.4153 -63.2053 -26.3199 84.761 -26.3204 41.9787 GPRESSURE: 4648600 50.3554 -125.599 65.5991 -40.3809 -27.0307 -48.7971 98.6624 46.7508 77.3072 PRESSAVG: 4648600 -14.5393 -15.8144 31.1469 -15.8143 13.9204 46.0624 31.1469 46.0624 0.757776 GPRESSAVG: 4648600 -15.142 -16.6695 29.2696 -15.7798 14.3874 49.1962 31.9255 47.2779 1.20781 TIMING: 4648600 CPU: 13976.6, 0.00303634/step Wall: 13976.6, 0.00303634/step, 0.29638 hours remaining, 209.328125 MB of memory in use. ENERGY: 4648600 743.6469 2012.5411 1926.6967 130.3363 -206091.6622 17681.5701 0.0000 0.0000 34195.4446 -149401.4266 298.6373 -183596.8712 -149302.8972 298.8696 1.4891 33.5440 556864.7086 0.0463 0.1511 PRESSURE: 4648800 -118.379 0.931753 -10.5194 0.931729 -93.281 -80.1345 -10.518 -80.1337 158.061 GPRESSURE: 4648800 -66.4446 -54.2459 8.64669 80.5947 -84.0237 -51.6483 -28.7299 -69.9386 206.246 PRESSAVG: 4648800 -16.3374 -36.9385 55.1353 -36.9384 -0.485656 25.4196 55.1353 25.4196 33.7861 GPRESSAVG: 4648800 -15.3769 -36.0082 57.4956 -36.0314 0.0463105 23.0288 54.7771 23.5107 32.3993 TIMING: 4648800 CPU: 13977.2, 0.00303836/step Wall: 13977.2, 0.00303836/step, 0.296409 hours remaining, 209.328125 MB of memory in use. ENERGY: 4648800 760.9211 2085.2800 1932.2975 110.7687 -206241.5431 17746.5747 0.0000 0.0000 34308.3211 -149297.3800 299.6231 -183605.7011 -149207.0277 298.7975 -17.8663 18.5925 556879.5920 5.6543 5.6896 PRESSURE: 4649000 -59.4377 -114.051 -40.8262 -114.053 314.69 255.643 -40.8262 255.643 105.739 GPRESSURE: 4649000 -18.7389 -76.995 -40.83 -132.935 394.014 270.273 -53.1961 176.041 95.5017 PRESSAVG: 4649000 -29.055 -30.3026 22.922 -30.3027 34.0926 39.2355 22.922 39.2354 15.6011 GPRESSAVG: 4649000 -28.4663 -29.9791 23.0927 -31.4029 33.244 38.5688 24.1443 40.5724 14.9525 TIMING: 4649000 CPU: 13977.8, 0.00301958/step Wall: 13977.8, 0.00301958/step, 0.294409 hours remaining, 209.328125 MB of memory in use. ENERGY: 4649000 745.9824 2050.8252 1967.5752 118.2538 -206428.4365 17903.9049 0.0000 0.0000 34350.0644 -149291.8306 299.9877 -183641.8950 -149190.6679 299.2319 120.3304 156.9255 557561.0161 6.8795 6.5767 PRESSURE: 4649200 -106.234 94.3666 -4.52048 94.3667 -128.594 68.8699 -4.51987 68.8698 32.1806 GPRESSURE: 4649200 -66.9596 55.0678 46.6137 91.3238 -130.926 36.7622 41.3519 79.1979 75.497 PRESSAVG: 4649200 -61.4141 18.2794 -6.4556 18.2795 21.6018 -18.0682 -6.45566 -18.0683 19.5533 GPRESSAVG: 4649200 -63.0219 18.7768 -5.84261 19.2069 22.2658 -17.62 -7.73116 -18.6089 20.8046 TIMING: 4649200 CPU: 13978.4, 0.00304984/step Wall: 13978.4, 0.00304984/step, 0.29719 hours remaining, 209.328125 MB of memory in use. ENERGY: 4649200 759.8182 2038.6499 1961.8617 105.7550 -206436.4212 18010.1005 0.0000 0.0000 34306.2192 -149254.0168 299.6047 -183560.2359 -149162.1820 298.6608 -67.5491 -40.7961 559103.0928 -6.7530 -6.6505 PRESSURE: 4649400 -94.2002 55.8883 -11.2061 55.8889 83.9354 -190.247 -11.2063 -190.248 -15.5713 GPRESSURE: 4649400 -24.9838 60.5915 -98.3814 6.62789 120.535 -177.857 18.7916 -222.593 -18.5254 PRESSAVG: 4649400 -72.017 -11.0802 64.9961 -11.0802 -13.1192 -25.8432 64.996 -25.8431 42.7336 GPRESSAVG: 4649400 -72.7208 -12.4972 63.7712 -12.2449 -12.2022 -25.5671 66.0475 -25.6281 42.4319 TIMING: 4649400 CPU: 13979, 0.00302197/step Wall: 13979, 0.00302197/step, 0.294307 hours remaining, 209.328125 MB of memory in use. ENERGY: 4649400 769.0823 2109.6851 1970.0041 108.5264 -206722.4151 17970.1850 0.0000 0.0000 34489.2312 -149305.7010 301.2030 -183794.9322 -149213.4760 299.0710 -8.6121 25.6751 558104.6267 -14.1342 -14.1637 PRESSURE: 4649600 -172.21 123.919 -135.05 123.92 -223.458 -11.9112 -135.05 -11.9112 -117.008 GPRESSURE: 4649600 -164.904 144.698 -61.5964 69.3976 -184.154 -83.2594 -129.95 20.9097 -61.3994 PRESSAVG: 4649600 -73.0686 56.4069 33.872 56.407 -36.3214 -70.2776 33.8721 -70.2775 94.1402 GPRESSAVG: 4649600 -71.4657 59.1199 34.0789 56.1283 -35.5253 -70.7993 34.8195 -71.0287 92.1846 TIMING: 4649600 CPU: 13979.7, 0.00302354/step Wall: 13979.7, 0.00302354/step, 0.294291 hours remaining, 209.328125 MB of memory in use. ENERGY: 4649600 741.7431 2101.6363 1932.5525 118.1494 -205791.4481 17665.7483 0.0000 0.0000 33977.9363 -149253.6822 296.7378 -183231.6185 -149165.0341 299.1568 -170.8920 -136.8192 558690.5635 -5.0833 -4.9355 PRESSURE: 4649800 -166.118 -70.4091 -55.8836 -70.4081 -372.821 110.923 -55.8847 110.924 -300.847 GPRESSURE: 4649800 -176.284 -54.3567 -65.9346 -93.9512 -419.575 98.6524 -60.2864 167.045 -130.712 PRESSAVG: 4649800 -5.11265 -1.67266 30.357 -1.67258 -21.8296 35.7693 30.357 35.7691 113.738 GPRESSAVG: 4649800 -5.26068 -5.06105 31.057 -2.2012 -23.3354 36.1334 28.5498 35.3565 115.462 TIMING: 4649800 CPU: 13980.3, 0.00303221/step Wall: 13980.3, 0.00303221/step, 0.294967 hours remaining, 209.328125 MB of memory in use. ENERGY: 4649800 739.0024 2014.9671 1931.3971 110.4717 -205886.8290 17498.8398 0.0000 0.0000 34333.5275 -149258.6235 299.8432 -183592.1510 -149162.0972 298.7858 -279.9287 -242.1903 558862.6094 28.9320 28.9552 PRESSURE: 4650000 60.2074 -127.532 -154.18 -127.531 226.777 -0.0527414 -154.179 -0.0534256 230.216 GPRESSURE: 4650000 41.7343 -79.6413 -112.393 -84.189 333.126 -52.3292 -157.965 -27.2821 234.575 PRESSAVG: 4650000 66.4023 11.7377 -8.77903 11.7378 -59.9372 21.0563 -8.77907 21.0561 -6.53842 GPRESSAVG: 4650000 67.1961 13.0302 -12.328 12.8138 -60.2706 22.2551 -8.05881 21.7701 -7.27738 TIMING: 4650000 CPU: 13980.9, 0.00304305/step Wall: 13980.9, 0.00304305/step, 0.295852 hours remaining, 209.328125 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: 4650000 747.3927 2117.8586 1941.5412 125.5435 -206273.7174 17983.8788 0.0000 0.0000 34262.2487 -149095.2540 299.2207 -183357.5027 -148994.2087 299.6947 172.4000 203.1450 557357.4702 -0.0244 -0.1173 PRESSURE: 4650200 77.5457 -19.2182 -44.6971 -19.2183 -170.413 -112.509 -44.6976 -112.51 -71.7601 GPRESSURE: 4650200 179.177 -55.126 -5.04879 25.7569 -200.894 -49.2805 -48.5192 -122.284 -37.8467 PRESSAVG: 4650200 -3.38274 21.8625 -19.79 21.8626 -7.63345 29.1817 -19.7899 29.1817 52.5597 GPRESSAVG: 4650200 -3.36764 22.2336 -17.108 22.2756 -7.72062 28.6422 -20.7485 28.617 52.9532 TIMING: 4650200 CPU: 13981.5, 0.0030498/step Wall: 13981.5, 0.0030498/step, 0.296339 hours remaining, 209.328125 MB of memory in use. ENERGY: 4650200 778.9929 2119.5695 1917.6847 109.0142 -206527.2232 17939.0716 0.0000 0.0000 34501.4890 -149161.4013 301.3101 -183662.8903 -149063.5193 300.4831 -54.8759 -19.8544 557922.3453 13.8478 13.9550 PRESSURE: 4650400 -20.3248 -22.7128 19.7011 -22.7125 -425.592 -30.5985 19.7023 -30.5979 -8.42377 GPRESSURE: 4650400 16.0068 -12.8029 -3.5347 -80.6658 -377.655 -27.9619 42.2898 -34.2448 20.1132 PRESSAVG: 4650400 37.698 -83.5664 -25.2488 -83.5665 6.84724 -4.70937 -25.2488 -4.70933 -32.4881 GPRESSAVG: 4650400 36.18 -83.8292 -25.67 -85.9532 7.06937 -5.94215 -24.8827 -4.3564 -30.9202 TIMING: 4650400 CPU: 13982.1, 0.00307266/step Wall: 13982.1, 0.00307266/step, 0.298389 hours remaining, 209.328125 MB of memory in use. ENERGY: 4650400 793.3987 2121.4843 1937.6157 106.7065 -206053.5240 17694.0590 0.0000 0.0000 34137.1882 -149263.0715 298.1286 -183400.2598 -149162.7360 299.1895 -151.4467 -113.8449 559270.8867 4.0191 4.1097 PRESSURE: 4650600 -21.1784 41.6191 -95.8066 41.6178 137.434 -58.1249 -95.8069 -58.1249 51.1289 GPRESSURE: 4650600 85.7269 34.6016 -58.7166 10.8653 108.917 -8.20599 -97.6086 -71.6009 84.6223 PRESSAVG: 4650600 49.8151 26.0473 16.7742 26.0472 -11.2654 -20.9093 16.7742 -20.9093 -47.6234 GPRESSAVG: 4650600 50.0385 26.0682 16.5499 26.9479 -10.0487 -18.9259 17.1595 -21.7819 -48.7483 TIMING: 4650600 CPU: 13982.7, 0.00305556/step Wall: 13982.7, 0.00305556/step, 0.296559 hours remaining, 209.328125 MB of memory in use. ENERGY: 4650600 764.7655 2080.8563 1975.3288 121.4348 -206458.1344 18018.3300 0.0000 0.0000 34365.6263 -149131.7927 300.1236 -183497.4190 -149032.0501 299.6783 55.7950 93.0887 558244.5004 -3.0246 -2.9195 PRESSURE: 4650800 -175.739 -81.4723 -22.0261 -81.4739 -53.0245 142.479 -22.0267 142.481 100.355 GPRESSURE: 4650800 -162.332 -4.55259 14.6474 -101.879 2.36242 121.767 -18.4857 160.693 134.031 PRESSAVG: 4650800 2.45308 -37.4929 -58.6035 -37.4928 -42.8112 -44.7419 -58.6035 -44.7418 30.4392 GPRESSAVG: 4650800 4.01505 -38.3936 -58.0075 -37.0243 -43.058 -46.2674 -57.6175 -44.2917 29.7346 TIMING: 4650800 CPU: 13983.3, 0.00307146/step Wall: 13983.3, 0.00307146/step, 0.297932 hours remaining, 209.328125 MB of memory in use. ENERGY: 4650800 731.0686 2081.9681 1929.8866 118.0419 -206027.8273 17676.3506 0.0000 0.0000 34412.4123 -149078.0991 300.5322 -183490.5114 -148977.1952 299.9239 -42.8029 -8.6462 556641.9564 -3.3063 -3.1028 PRESSURE: 4651000 -20.8208 -81.8431 -76.9879 -81.8433 -97.3136 -98.9335 -76.9883 -98.9331 -200.791 GPRESSURE: 4651000 80.4073 -58.1726 -87.7898 -119.661 -86.7154 -119.652 -136.194 -109.353 -208.274 PRESSAVG: 4651000 6.85135 20.4687 -85.4007 20.4686 -26.7278 -68.4313 -85.4008 -68.4313 7.32923 GPRESSAVG: 4651000 6.0906 20.8147 -85.6095 22.7636 -26.6648 -67.6019 -87.665 -70.0982 8.2175 TIMING: 4651000 CPU: 13983.9, 0.00307117/step Wall: 13983.9, 0.00307117/step, 0.297733 hours remaining, 209.328125 MB of memory in use. ENERGY: 4651000 767.9265 2132.3754 1936.2075 114.0184 -206030.2918 17686.6441 0.0000 0.0000 34330.4184 -149062.7015 299.8161 -183393.1199 -148966.6527 300.4817 -106.3084 -71.5276 557819.3270 -4.1824 -4.1189 PRESSURE: 4651200 -0.786987 -23.5544 146.798 -23.5537 -147.144 -9.72555 146.798 -9.72571 -24.4182 GPRESSURE: 4651200 -5.34588 -23.3181 193.874 -5.74978 -127.867 -25.0765 58.8924 16.731 58.2655 PRESSAVG: 4651200 30.1322 -39.6785 -21.8015 -39.6785 -0.805763 13.9526 -21.8015 13.9525 -39.2327 GPRESSAVG: 4651200 29.5349 -40.8962 -22.6194 -41.6739 -0.266761 14.5427 -22.2164 14.6247 -39.7886 TIMING: 4651200 CPU: 13984.5, 0.00307356/step Wall: 13984.5, 0.00307356/step, 0.297793 hours remaining, 209.328125 MB of memory in use. ENERGY: 4651200 728.0389 2104.8691 1936.7698 102.0261 -206193.9003 17750.7089 0.0000 0.0000 34486.2148 -149085.2727 301.1767 -183571.4876 -148994.0002 300.2756 -57.4498 -24.9824 558558.9226 -3.3021 -3.5068 PRESSURE: 4651400 -2.65918 -166.447 -92.6727 -166.449 -140.469 5.43463 -92.672 5.43507 -50.9466 GPRESSURE: 4651400 9.02397 -199.953 -155.129 -133.444 -72.3279 11.1796 -148.206 -25.9372 -28.4485 PRESSAVG: 4651400 21.3618 -9.39299 11.733 -9.39297 -10.465 4.87526 11.7331 4.87529 25.3108 GPRESSAVG: 4651400 22.1902 -8.28226 11.4363 -8.94495 -11.0772 3.94173 13.2578 5.77477 24.7453 TIMING: 4651400 CPU: 13985.2, 0.0030519/step Wall: 13985.2, 0.0030519/step, 0.295525 hours remaining, 209.585938 MB of memory in use. ENERGY: 4651400 787.3184 2078.8906 1935.6107 120.9812 -206018.2193 17826.5459 0.0000 0.0000 34182.1943 -149086.6783 298.5216 -183268.8726 -148990.8163 299.5461 -64.6916 -30.5841 559010.0226 12.0692 11.9528 PRESSURE: 4651600 -20.079 146.888 50.7207 146.889 -191.555 -31.94 50.7198 -31.9394 -246.286 GPRESSURE: 4651600 33.2201 59.9114 -7.14173 198.701 -184.953 -84.711 150.307 -2.85046 -202.768 PRESSAVG: 4651600 31.9565 9.70556 -21.617 9.70553 -7.71783 3.56523 -21.6171 3.56531 -40.1292 GPRESSAVG: 4651600 32.3307 8.13385 -21.7992 10.5665 -7.88529 1.60662 -19.8976 4.70665 -40.1047 TIMING: 4651600 CPU: 13985.8, 0.00305191/step Wall: 13985.8, 0.00305191/step, 0.295357 hours remaining, 209.585938 MB of memory in use. ENERGY: 4651600 771.1245 2106.3788 1938.1455 102.6045 -206091.2860 17730.7184 0.0000 0.0000 34365.3787 -149076.9356 300.1214 -183442.3143 -148978.0013 299.4571 -152.6400 -118.1670 557518.0005 -5.2968 -5.2197 PRESSURE: 4651800 -179.678 -115.601 41.9336 -115.601 156.032 -65.9235 41.933 -65.9235 -152.089 GPRESSURE: 4651800 -99.7568 -76.1931 61.6663 -111.184 167.226 30.5479 40.3831 -95.3626 -135.568 PRESSAVG: 4651800 30.6052 -12.3562 49.0935 -12.3562 -46.4648 -9.25744 49.0935 -9.25743 -27.1607 GPRESSAVG: 4651800 28.6727 -10.3297 48.8441 -12.8863 -45.7681 -6.74609 48.4515 -12.8554 -25.9454 TIMING: 4651800 CPU: 13986.4, 0.00305003/step Wall: 13986.4, 0.00305003/step, 0.295006 hours remaining, 209.585938 MB of memory in use. ENERGY: 4651800 762.3018 2131.7038 1946.8914 121.7932 -206043.6129 17630.7559 0.0000 0.0000 34421.9251 -149028.2418 300.6152 -183450.1669 -148935.2420 299.6467 -58.5783 -22.6995 556615.7629 -14.3401 -14.3469 PRESSURE: 4652000 -134.807 -89.7704 -189.434 -89.7701 -259.477 92.3942 -189.434 92.3961 -225.199 GPRESSURE: 4652000 -97.2471 -58.085 -165.985 -21.2425 -229.163 91.3503 -157.707 116.263 -185.901 PRESSAVG: 4652000 28.2433 -13.8596 15.7737 -13.8596 -15.6321 -2.66152 15.7737 -2.66148 -48.173 GPRESSAVG: 4652000 29.1097 -14.1562 15.6034 -13.8637 -16.7189 -3.23902 17.2171 -1.75447 -47.9636 TIMING: 4652000 CPU: 13987, 0.00304555/step Wall: 13987, 0.00304555/step, 0.294403 hours remaining, 209.585938 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: 4652000 759.6263 2094.9486 1964.0444 115.1111 -205563.8360 17374.8419 0.0000 0.0000 34143.1551 -149112.1086 298.1807 -183255.2638 -149015.1681 299.6952 -206.4941 -170.7705 557420.1184 -11.8539 -11.8576 PRESSURE: 4652200 204.351 -96.0675 49.0376 -96.0681 -24.1958 195.436 49.0375 195.437 219.617 GPRESSURE: 4652200 219.952 -71.8218 55.4182 -166.063 -11.0536 222.32 79.3614 132.254 280.354 PRESSAVG: 4652200 47.6261 -7.90121 -27.5607 -7.90134 -29.4795 96.0489 -27.5607 96.0488 1.43332 GPRESSAVG: 4652200 47.9527 -7.02766 -28.3225 -8.59409 -29.5176 95.8091 -28.7014 97.1591 1.02389 TIMING: 4652200 CPU: 13987.6, 0.00307595/step Wall: 13987.6, 0.00307595/step, 0.297171 hours remaining, 209.585938 MB of memory in use. ENERGY: 4652200 746.0849 2092.4851 1946.8716 111.1920 -206406.9135 18001.7131 0.0000 0.0000 34209.0749 -149299.4920 298.7564 -183508.5669 -149207.0619 298.3344 133.2573 163.0844 556156.0900 6.5266 6.4863 LDB: ============= START OF LOAD BALANCING ============== 13991 LDB: ============== END OF LOAD BALANCING =============== 13991 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13991 LDB: ============= START OF LOAD BALANCING ============== 13991.3 LDB: Largest compute 4820 load 0.029725 is 25.2% of average load 0.118108 LDB: Average compute 0.001735 is 1.5% of average load 0.118108 LDB: TIME 13991.3 LOAD: AVG 0.118108 MAX 0.21694 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.414 MB LDB: TIME 13991.3 LOAD: AVG 0.118108 MAX 0.21694 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.414 MB LDB: TIME 13991.3 LOAD: AVG 0.118108 MAX 0.21694 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.414 MB LDB: ============== END OF LOAD BALANCING =============== 13991.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 13991.4 PRESSURE: 4652400 103.56 -26.4714 -12.0107 -26.4704 80.8758 -62.4458 -12.011 -62.4477 87.7261 GPRESSURE: 4652400 102.954 -27.0117 147.804 12.1669 131.805 -72.9325 -54.8105 -92.5237 129.998 PRESSAVG: 4652400 -37.3756 -35.9673 4.22784 -35.9673 41.1257 -6.9627 4.22786 -6.96279 4.20718 GPRESSAVG: 4652400 -38.2849 -33.7381 5.48232 -38.7544 42.2124 -7.00589 2.32405 -7.1602 4.00394 TIMING: 4652400 CPU: 13988.2, 0.0031046/step Wall: 13988.2, 0.0031046/step, 0.299766 hours remaining, 207.265625 MB of memory in use. ENERGY: 4652400 722.9091 2085.3872 1936.8180 100.9351 -206208.0002 17726.5112 0.0000 0.0000 34289.8401 -149345.5994 299.4617 -183635.4396 -149244.8794 297.8586 90.7205 121.5857 556734.7056 2.6524 2.6438 PRESSURE: 4652600 -135.363 -71.3878 73.0447 -71.3889 210.869 112.384 73.0446 112.384 312.737 GPRESSURE: 4652600 -80.7336 -70.8844 35.9633 -77.3064 193.816 109.834 97.5582 102.085 378.107 PRESSAVG: 4652600 13.9165 -51.8105 23.3944 -51.8104 12.3773 11.0944 23.3944 11.0944 14.6168 GPRESSAVG: 4652600 15.4171 -54.4811 23.2495 -48.7855 11.7492 13.1767 24.8105 10.3152 13.8833 TIMING: 4652600 CPU: 13988.8, 0.00305476/step Wall: 13988.8, 0.00305476/step, 0.294784 hours remaining, 207.265625 MB of memory in use. ENERGY: 4652600 762.1801 2076.8320 1952.0239 107.8449 -206569.7816 18123.2365 0.0000 0.0000 34048.6374 -149499.0269 297.3552 -183547.6643 -149400.5767 298.3857 129.4146 163.7297 556680.3726 13.6368 13.6832 PRESSURE: 4652800 -128.026 -40.3456 167.683 -40.346 -162.891 -176.401 167.682 -176.403 -76.6145 GPRESSURE: 4652800 -101.14 -35.0542 160.751 39.4491 -104.199 -146.217 173.903 -213.368 -68.8187 PRESSAVG: 4652800 -82.2452 -8.32645 23.8592 -8.32636 -13.4076 -37.4259 23.8591 -37.4259 66.9901 GPRESSAVG: 4652800 -82.6209 -8.39722 26.3103 -6.37744 -14.6641 -38.7301 21.6628 -36.5233 68.8109 TIMING: 4652800 CPU: 13989.4, 0.00306013/step Wall: 13989.4, 0.00306013/step, 0.295133 hours remaining, 207.265625 MB of memory in use. ENERGY: 4652800 741.3248 2077.3191 1940.4426 106.3711 -206487.9336 17773.2774 0.0000 0.0000 34153.9971 -149695.2015 298.2754 -183849.1986 -149600.0061 297.9526 -122.5104 -91.3859 558222.4076 -9.5542 -9.4914 PRESSURE: 4653000 -368.85 138.012 43.6393 138.013 1.81579 -87.9653 43.6396 -87.968 -139.958 GPRESSURE: 4653000 -334.026 106.874 -24.4962 83.8072 33.9507 -116.605 103.354 -30.0381 -112.091 PRESSAVG: 4653000 -12.9424 28.9696 44.9329 28.9696 -57.8841 -1.86742 44.9329 -1.8674 80.5241 GPRESSAVG: 4653000 -13.6134 28.822 44.229 25.3538 -55.2061 -4.38401 47.836 -1.53405 78.3799 TIMING: 4653000 CPU: 13990.1, 0.00302931/step Wall: 13990.1, 0.00302931/step, 0.291992 hours remaining, 207.265625 MB of memory in use. ENERGY: 4653000 766.6130 2122.7523 1956.8259 103.9342 -206495.9984 17729.0417 0.0000 0.0000 34197.4710 -149619.3604 298.6550 -183816.8314 -149518.1495 297.7818 -168.9974 -137.3887 557641.4264 3.2325 3.1868 PRESSURE: 4653200 118.451 139.569 -63.6258 139.57 -227.068 -152.974 -63.6249 -152.974 124.433 GPRESSURE: 4653200 134.059 103.418 -6.74442 130.011 -178.446 -63.5578 -117.27 -148.144 151.664 PRESSAVG: 4653200 -10.0476 54.1178 1.53547 54.1178 -82.8497 23.1089 1.53549 23.1089 87.2095 GPRESSAVG: 4653200 -11.0445 54.4507 -0.0167882 55.4977 -83.3563 25.5747 2.26312 24.7675 88.8321 TIMING: 4653200 CPU: 13990.7, 0.00305052/step Wall: 13990.7, 0.00305052/step, 0.293867 hours remaining, 207.265625 MB of memory in use. ENERGY: 4653200 729.7454 2083.8078 1981.5279 127.1000 -206306.7182 17657.1081 0.0000 0.0000 34212.6750 -149514.7540 298.7878 -183727.4290 -149408.6440 297.5642 5.2722 35.7587 556068.4282 -1.8959 -1.8562 PRESSURE: 4653400 21.1953 -100.154 -51.5949 -100.154 -129.467 -57.9594 -51.5941 -57.9609 15.9591 GPRESSURE: 4653400 61.0281 -107.909 -41.6125 -166.874 -75.5187 -134.035 -61.5002 -133.595 40.2621 PRESSAVG: 4653400 16.673 -31.2738 1.40876 -31.2737 -69.6782 -10.7339 1.4088 -10.734 86.0765 GPRESSAVG: 4653400 18.292 -29.6035 4.05764 -32.1941 -70.7284 -11.2668 -0.479808 -12.3342 86.4452 TIMING: 4653400 CPU: 13991.3, 0.00304883/step Wall: 13991.3, 0.00304883/step, 0.293534 hours remaining, 207.265625 MB of memory in use. ENERGY: 4653400 803.1333 2078.0181 1973.1411 98.2078 -206324.2402 17800.3201 0.0000 0.0000 34176.5110 -149394.9088 298.4720 -183571.4198 -149302.3104 298.6011 -30.7707 8.5905 557173.6463 11.0237 11.3363 PRESSURE: 4653600 -184.876 37.9276 135.077 37.9287 -294.067 -31.3302 135.078 -31.3276 -61.4828 GPRESSURE: 4653600 -155.783 -21.276 91.9117 -29.6828 -237.285 9.33348 128.768 -23.5708 -37.0735 PRESSAVG: 4653600 86.6444 2.00086 53.2982 2.00082 -35.4312 -75.4237 53.2983 -75.4236 -35.1204 GPRESSAVG: 4653600 85.4077 1.79822 50.368 2.5975 -33.3967 -74.9017 54.1804 -77.6511 -35.2658 TIMING: 4653600 CPU: 13991.9, 0.00304482/step Wall: 13991.9, 0.00304482/step, 0.292979 hours remaining, 207.265625 MB of memory in use. ENERGY: 4653600 732.5104 2019.3506 1966.4205 113.4913 -205801.0162 17568.6853 0.0000 0.0000 34045.2544 -149355.3036 297.3257 -183400.5580 -149257.9318 299.2977 -180.1420 -143.3805 558258.1461 5.3643 5.5817 PRESSURE: 4653800 133.592 -154.115 155.833 -154.114 -52.7783 -26.1542 155.834 -26.1538 189.463 GPRESSURE: 4653800 193.767 -103.186 146.945 -155.516 6.24129 4.16444 164.458 78.4582 170.76 PRESSAVG: 4653800 46.5653 -34.5212 24.5645 -34.5212 12.8095 -33.1872 24.5644 -33.1871 -58.3778 GPRESSAVG: 4653800 48.0763 -35.7966 25.5418 -35.2015 11.6693 -33.4458 23.8173 -30.5633 -58.7149 TIMING: 4653800 CPU: 13992.5, 0.00304869/step Wall: 13992.5, 0.00304869/step, 0.293182 hours remaining, 207.265625 MB of memory in use. ENERGY: 4653800 711.9186 2090.8974 1953.3822 123.6300 -206383.1091 17934.7878 0.0000 0.0000 34250.9462 -149317.5469 299.1220 -183568.4931 -149223.2625 298.6096 90.0922 123.5896 559122.0579 0.3323 0.3436 PRESSURE: 4654000 -218.804 78.9933 45.1016 78.9937 -38.0117 159.404 45.103 159.404 -46.4033 GPRESSURE: 4654000 -184.583 85.0995 20.3905 39.4506 -33.9157 139.321 91.6191 237.738 9.21413 PRESSAVG: 4654000 -49.4274 -31.6376 28.7754 -31.6375 15.0496 2.29337 28.7755 2.29336 37.8985 GPRESSAVG: 4654000 -49.7727 -31.0844 28.6055 -29.9725 15.2076 3.70936 30.6309 0.409192 38.4849 TIMING: 4654000 CPU: 13993.1, 0.00306458/step Wall: 13993.1, 0.00306458/step, 0.29454 hours remaining, 207.265625 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: 4654000 736.6956 2082.3196 1926.4277 120.2847 -205972.8185 17598.1575 0.0000 0.0000 34301.8992 -149207.0341 299.5670 -183508.9334 -149107.2026 298.6907 -101.0731 -69.7616 558786.3052 1.1736 1.3066 PRESSURE: 4654200 63.7134 -259.113 127.955 -259.114 -60.1471 -4.69904 127.954 -4.70045 -89.3237 GPRESSURE: 4654200 68.6712 -221.089 151.953 -173.597 -85.9356 -51.198 126.832 47.5435 18.5514 PRESSAVG: 4654200 -43.0279 -29.5002 26.3753 -29.5003 9.10371 25.3113 26.3753 25.3112 15.2433 GPRESSAVG: 4654200 -42.591 -28.827 27.0289 -32.6984 9.16441 24.8695 25.1963 25.8821 15.0293 TIMING: 4654200 CPU: 13993.7, 0.00305365/step Wall: 13993.7, 0.00305365/step, 0.29332 hours remaining, 207.265625 MB of memory in use. ENERGY: 4654200 746.9916 2033.2788 1958.8650 122.9024 -206468.8091 17923.6528 0.0000 0.0000 34315.6492 -149367.4694 299.6871 -183683.1186 -149272.5941 297.8947 -28.5858 0.4290 559684.6039 -6.2270 -6.1324 PRESSURE: 4654400 -13.1598 127.826 -46.066 127.825 -112.496 -179.342 -46.065 -179.343 -4.58466 GPRESSURE: 4654400 -27.0661 205.74 -66.4867 159.123 -48.5319 -256.31 -25.0748 -180.54 34.8754 PRESSAVG: 4654400 -31.5685 0.509461 -44.2499 0.509369 47.722 -7.77892 -44.25 -7.77884 -9.97567 GPRESSAVG: 4654400 -32.0094 0.139351 -44.147 0.760512 47.7053 -8.37275 -44.3598 -6.93555 -10.001 TIMING: 4654400 CPU: 13994.3, 0.00305874/step Wall: 13994.3, 0.00305874/step, 0.293639 hours remaining, 207.265625 MB of memory in use. ENERGY: 4654400 730.0526 2037.1968 1960.3338 117.6999 -206051.0372 17870.7310 0.0000 0.0000 34196.6597 -149138.3634 298.6479 -183335.0231 -149037.0664 299.0240 -43.4134 -13.5742 560539.3194 2.0593 1.8983 PRESSURE: 4654600 42.2691 171.261 -35.3008 171.262 74.3121 -80.2828 -35.3005 -80.2824 43.0459 GPRESSURE: 4654600 21.8708 70.3107 -27.0754 217.08 83.4166 -52.2958 -93.048 -92.1644 153.947 PRESSAVG: 4654600 11.6813 43.5774 -4.04889 43.5774 -25.4388 3.82706 -4.04891 3.82712 17.6232 GPRESSAVG: 4654600 11.576 45.659 -4.5132 44.0787 -25.6312 3.49868 -2.3079 5.13436 18.1412 TIMING: 4654600 CPU: 13994.9, 0.00303979/step Wall: 13994.9, 0.00303979/step, 0.291651 hours remaining, 207.265625 MB of memory in use. ENERGY: 4654600 772.8906 2060.3925 1943.7340 102.4557 -206458.3752 18029.1090 0.0000 0.0000 34533.8358 -149015.9575 301.5926 -183549.7933 -148921.0715 299.3444 53.2090 86.4113 558695.5773 1.2885 1.3620 PRESSURE: 4654800 67.2749 -20.0197 151.309 -20.0189 202.514 -17.0324 151.31 -17.0314 131.694 GPRESSURE: 4654800 91.5204 -123.44 143.531 28.604 255.429 -13.8993 154.951 32.6142 152.651 PRESSAVG: 4654800 49.0284 -17.3832 -23.8647 -17.3832 33.6592 -0.675574 -23.8646 -0.675512 -48.2264 GPRESSAVG: 4654800 49.1583 -17.6641 -24.0484 -15.8875 33.9319 -1.72842 -24.419 -2.9172 -48.8216 TIMING: 4654800 CPU: 13995.5, 0.00304401/step Wall: 13995.5, 0.00304401/step, 0.291887 hours remaining, 207.265625 MB of memory in use. ENERGY: 4654800 763.1185 2084.0039 1925.1671 139.4543 -206506.6500 18205.4607 0.0000 0.0000 34471.1263 -148918.3192 301.0449 -183389.4455 -148822.8824 300.2159 133.8275 166.5336 556137.0674 11.4871 11.4229 PRESSURE: 4655000 144.124 91.0439 -95.9371 91.0442 171.592 69.6291 -95.936 69.6275 -25.2992 GPRESSURE: 4655000 160.359 140.352 -137.17 101.171 182.373 123.441 -222.026 73.5801 43.1003 PRESSAVG: 4655000 29.6012 25.6139 -7.92481 25.6138 103.868 54.2316 -7.92471 54.2315 -87.3297 GPRESSAVG: 4655000 29.3146 23.7517 -6.54983 24.2814 104.044 54.475 -7.74755 55.1567 -87.1994 TIMING: 4655000 CPU: 13996.2, 0.00306811/step Wall: 13996.2, 0.00306811/step, 0.294028 hours remaining, 207.265625 MB of memory in use. ENERGY: 4655000 768.0025 2071.5260 1923.8736 100.3867 -206423.9575 18107.9678 0.0000 0.0000 34537.6661 -148914.5347 301.6260 -183452.2008 -148814.1714 299.7315 96.8056 128.6108 557449.8419 15.3799 15.3863 PRESSURE: 4655200 -10.6255 -75.545 18.7957 -75.5445 -19.3311 79.109 18.7945 79.1087 -142.977 GPRESSURE: 4655200 22.8264 -104.088 61.8823 -49.1251 -10.5018 56.9142 75.084 74.3007 -83.2589 PRESSAVG: 4655200 11.438 11.9795 -29.2769 11.9795 28.3178 -39.5905 -29.2769 -39.5905 -11.9093 GPRESSAVG: 4655200 11.0432 13.645 -32.0654 11.758 27.0941 -39.4264 -26.6207 -40.2445 -11.0885 TIMING: 4655200 CPU: 13996.8, 0.00303436/step Wall: 13996.8, 0.00303436/step, 0.290624 hours remaining, 207.265625 MB of memory in use. ENERGY: 4655200 741.5678 2082.0503 1938.2516 104.4633 -206024.6615 17781.1248 0.0000 0.0000 34387.8929 -148989.3108 300.3180 -183377.2037 -148891.3410 299.9925 -57.6444 -23.6448 558065.4589 9.2822 9.0163 PRESSURE: 4655400 72.435 -9.87994 26.1223 -9.8807 175.411 57.6257 26.1224 57.6262 30.6275 GPRESSURE: 4655400 132.742 67.1503 38.9039 -8.40427 213.346 77.1699 -53.6343 64.5253 42.1284 PRESSAVG: 4655400 -69.0331 -77.3414 -27.3752 -77.3414 34.0285 3.87145 -27.3752 3.87133 10.3447 GPRESSAVG: 4655400 -69.3029 -76.6617 -24.9354 -76.238 34.3707 4.46066 -31.2067 3.265 10.8465 TIMING: 4655400 CPU: 13997.4, 0.00303361/step Wall: 13997.4, 0.00303361/step, 0.290384 hours remaining, 207.265625 MB of memory in use. ENERGY: 4655400 743.9829 2083.6188 1937.7682 106.3390 -206491.4248 17976.6238 0.0000 0.0000 34487.9260 -149155.1661 301.1916 -183643.0921 -149056.0215 300.0078 92.8245 129.4054 556402.9823 -8.2199 -8.0286 PRESSURE: 4655600 66.0589 -6.99376 -137.745 -6.99287 40.2954 -44.2894 -137.744 -44.2898 -394.168 GPRESSURE: 4655600 66.4583 3.83668 -130.38 -57.9072 58.1878 -63.7775 -150.994 47.0789 -315.293 PRESSAVG: 4655600 14.7736 14.9621 -106.557 14.9621 53.6125 -51.4399 -106.557 -51.4399 -60.4909 GPRESSAVG: 4655600 14.799 13.9772 -106.55 13.4087 53.9239 -51.4547 -105.472 -48.8961 -60.537 TIMING: 4655600 CPU: 13998, 0.0030487/step Wall: 13998, 0.0030487/step, 0.291659 hours remaining, 207.265625 MB of memory in use. ENERGY: 4655600 719.4094 2089.3668 1942.7339 112.4801 -205959.9370 17738.3717 0.0000 0.0000 34222.4259 -149135.1493 298.8730 -183357.5752 -149038.0459 299.7029 -95.9379 -63.5490 558615.5344 2.6317 2.7286 PRESSURE: 4655800 -98.217 -104.814 -69.4119 -104.814 -6.31944 106.478 -69.4109 106.478 -221.322 GPRESSURE: 4655800 -32.4082 -104.797 21.754 -141.477 6.92369 103.563 -18.6003 84.2181 -202.498 PRESSAVG: 4655800 9.02934 -40.3078 -65.018 -40.3078 7.43665 59.5439 -65.018 59.5439 -6.08705 GPRESSAVG: 4655800 9.11957 -40.031 -65.8767 -40.2244 7.04678 60.0486 -64.5588 56.9629 -5.65951 TIMING: 4655800 CPU: 13998.6, 0.00306549/step Wall: 13998.6, 0.00306549/step, 0.293095 hours remaining, 207.265625 MB of memory in use. ENERGY: 4655800 720.9279 2116.1432 1926.6307 110.3419 -206013.9826 17683.8206 0.0000 0.0000 34290.2481 -149165.8703 299.4653 -183456.1184 -149071.8655 299.6949 -108.6196 -75.9940 558126.1238 3.4596 3.5023 PRESSURE: 4656000 79.2457 -41.2334 -186.62 -41.2348 81.1291 -64.4904 -186.621 -64.4913 -158.915 GPRESSURE: 4656000 102.557 -10.5963 -165.212 -58.9933 151.124 -3.49246 -187.575 17.4179 -140.259 PRESSAVG: 4656000 4.65025 -6.42779 -9.99777 -6.42771 -5.24491 -2.72124 -9.99786 -2.72126 -15.6061 GPRESSAVG: 4656000 4.06165 -5.37701 -10.7701 -6.92152 -4.59511 -2.61619 -10.6986 -0.694457 -16.141 TIMING: 4656000 CPU: 13999.2, 0.00305899/step Wall: 13999.2, 0.00305899/step, 0.292304 hours remaining, 207.265625 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: 4656000 725.8173 2076.4216 1961.6966 122.6639 -206030.2124 17824.4331 0.0000 0.0000 34333.8783 -148985.3016 299.8463 -183319.1799 -148892.3480 299.2389 0.4866 37.8073 556918.0884 -5.4003 -5.5581 PRESSURE: 4656200 -59.7959 7.87716 -76.0434 7.87844 -42.3793 55.665 -76.044 55.6645 -128.633 GPRESSURE: 4656200 8.79157 -41.9103 89.7219 -32.5232 -49.1684 114.108 -138.483 65.3435 -95.1794 PRESSAVG: 4656200 -42.3754 -24.8697 -31.347 -24.8696 90.6122 -10.9111 -31.3469 -10.9111 22.4005 GPRESSAVG: 4656200 -42.1698 -26.7271 -29.7533 -22.7809 89.6776 -10.9757 -29.6594 -13.0595 22.5333 TIMING: 4656200 CPU: 13999.8, 0.00305289/step Wall: 13999.8, 0.00305289/step, 0.291551 hours remaining, 207.265625 MB of memory in use. ENERGY: 4656200 793.4413 2059.0671 1925.2416 118.2530 -205639.5970 17551.8723 0.0000 0.0000 34322.9944 -148868.7273 299.7512 -183191.7218 -148778.2146 300.5796 -76.9362 -45.1854 556242.3047 23.5458 23.3470 LDB: ============= START OF LOAD BALANCING ============== 14003.2 LDB: ============== END OF LOAD BALANCING =============== 14003.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14003.2 LDB: ============= START OF LOAD BALANCING ============== 14003.6 LDB: Largest compute 4820 load 0.029315 is 24.8% of average load 0.118108 LDB: Average compute 0.001736 is 1.5% of average load 0.118108 LDB: TIME 14003.6 LOAD: AVG 0.118108 MAX 0.216925 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.547 MB LDB: TIME 14003.6 LOAD: AVG 0.118108 MAX 0.216925 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.547 MB LDB: TIME 14003.6 LOAD: AVG 0.118108 MAX 0.216925 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.547 MB LDB: ============== END OF LOAD BALANCING =============== 14003.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14003.6 PRESSURE: 4656400 237.372 110.156 -51.2951 110.157 110.606 -188.313 -51.2957 -188.314 389.757 GPRESSURE: 4656400 263.305 62.9779 -58.8524 105.972 128.953 -224.178 -5.94884 -175.977 426.861 PRESSAVG: 4656400 -16.146 18.9839 41.1396 18.9838 12.473 16.4289 41.1396 16.429 15.5411 GPRESSAVG: 4656400 -16.4641 18.4206 41.0088 18.2329 12.7822 14.696 39.4634 17.3874 15.6375 TIMING: 4656400 CPU: 14000.4, 0.00311179/step Wall: 14000.4, 0.00311179/step, 0.297003 hours remaining, 208.570312 MB of memory in use. ENERGY: 4656400 730.0233 2096.3677 1955.1805 118.8824 -206047.9928 17887.7544 0.0000 0.0000 34434.9638 -148824.8206 300.7291 -183259.7844 -148733.2071 301.1505 245.9117 273.0396 555898.2513 3.9561 3.9852 PRESSURE: 4656600 81.776 -126.462 -9.99272 -126.461 9.10146 119.146 -9.99335 119.146 -170.163 GPRESSURE: 4656600 111.466 -36.6854 30.7788 -142.632 45.6167 123.954 -85.5157 69.1617 -147.697 PRESSAVG: 4656600 22.0486 18.7556 -5.54473 18.7556 -20.1943 -8.07456 -5.54473 -8.07458 -15.5887 GPRESSAVG: 4656600 21.7199 19.9688 -4.49517 16.895 -20.3552 -7.72117 -7.35376 -10.4325 -14.9444 TIMING: 4656600 CPU: 14001.1, 0.00306845/step Wall: 14001.1, 0.00306845/step, 0.292696 hours remaining, 208.570312 MB of memory in use. ENERGY: 4656600 733.3680 2094.6125 1917.6054 113.3234 -206270.1091 17827.8260 0.0000 0.0000 34549.0070 -149034.3668 301.7251 -183583.3738 -148934.2850 300.3422 -26.4284 3.1284 557848.8819 -4.5781 -4.5266 PRESSURE: 4656800 -60.7609 128.716 52.556 128.717 -117.27 18.3003 52.5567 18.3013 132.295 GPRESSURE: 4656800 -13.896 104.095 94.8076 165.931 -65.4538 48.5272 49.2929 -86.3122 140.146 PRESSAVG: 4656800 6.69149 41.6945 -26.7301 41.6945 1.97759 -25.7252 -26.73 -25.7252 37.8372 GPRESSAVG: 4656800 7.36721 40.6798 -26.4913 43.5446 2.63321 -25.3891 -24.3247 -23.8399 37.0066 TIMING: 4656800 CPU: 14001.7, 0.00307588/step Wall: 14001.7, 0.00307588/step, 0.293234 hours remaining, 208.570312 MB of memory in use. ENERGY: 4656800 730.9533 2068.2234 1945.2265 135.2154 -205597.9752 17619.4254 0.0000 0.0000 34169.8196 -148929.1116 298.4135 -183098.9312 -148840.8302 300.6244 -15.2451 20.2655 557890.8610 15.5021 15.6690 PRESSURE: 4657000 -51.3401 -113.78 -142.683 -113.78 1.06746 58.7576 -142.683 58.7573 -274.026 GPRESSURE: 4657000 -47.9813 -86.0879 -147.588 -64.9557 -29.7643 45.0092 -83.8016 91.7348 -156.96 PRESSAVG: 4657000 19.0855 -30.8952 -24.0348 -30.8952 15.396 -27.8053 -24.0348 -27.8055 -36.6553 GPRESSAVG: 4657000 19.3895 -30.782 -27.1567 -30.8658 14.3646 -27.7012 -24.2056 -26.6358 -36.1954 TIMING: 4657000 CPU: 14002.3, 0.00309785/step Wall: 14002.3, 0.00309785/step, 0.295156 hours remaining, 208.570312 MB of memory in use. ENERGY: 4657000 754.8406 1998.9856 1946.7104 116.4393 -205776.8903 17621.0600 0.0000 0.0000 34288.2218 -149050.6325 299.4476 -183338.8543 -148952.1155 299.9009 -108.0994 -78.2353 556637.7128 -0.7246 -0.8137 PRESSURE: 4657200 -217.708 86.6033 -101.609 86.6031 2.38596 57.5286 -101.61 57.5283 -108.222 GPRESSURE: 4657200 -124.452 61.7507 -95.5704 132.915 -1.96965 -0.880092 -17.7656 90.9087 -92.6211 PRESSAVG: 4657200 52.1879 16.6174 -8.23699 16.6175 -25.2935 27.4786 -8.23703 27.4785 -17.3292 GPRESSAVG: 4657200 51.0805 17.2323 -6.55156 15.8707 -23.1496 28.4936 -7.8805 25.6315 -17.6749 TIMING: 4657200 CPU: 14002.9, 0.00306688/step Wall: 14002.9, 0.00306688/step, 0.292035 hours remaining, 208.570312 MB of memory in use. ENERGY: 4657200 737.1748 2032.3112 1932.3577 107.3067 -205327.2778 17425.7040 0.0000 0.0000 33972.4689 -149119.9544 296.6900 -183092.4233 -149020.0348 299.2275 -107.8482 -73.0141 556709.9194 3.1884 3.4187 PRESSURE: 4657400 113.435 -116.224 27.86 -116.224 -30.8036 -38.5425 27.8611 -38.5439 35.8689 GPRESSURE: 4657400 119.526 -70.1229 -20.556 -106.803 50.1655 -44.7675 34.371 -79.0474 50.666 PRESSAVG: 4657400 -36.7136 24.0195 -19.7479 24.0194 103.755 23.1705 -19.7479 23.1705 -46.6771 GPRESSAVG: 4657400 -36.3754 24.762 -20.8864 23.3702 102.595 21.908 -20.3849 25.9975 -45.3753 TIMING: 4657400 CPU: 14003.5, 0.00307628/step Wall: 14003.5, 0.00307628/step, 0.292759 hours remaining, 208.570312 MB of memory in use. ENERGY: 4657400 721.3792 2105.0103 1929.7461 97.1771 -206097.3784 17810.0666 0.0000 0.0000 34348.6906 -149085.3086 299.9757 -183433.9992 -148993.1693 299.3136 39.5001 73.4523 558620.6340 6.7881 6.9481 PRESSURE: 4657600 -286.281 177.77 38.9221 177.771 186.475 51.619 38.9223 51.6174 -50.0617 GPRESSURE: 4657600 -237.399 132.854 89.4864 125.458 270.054 62.3438 -121.389 134.236 -82.3238 PRESSAVG: 4657600 -26.1061 -19.0135 39.1432 -19.0134 35.9913 -14.6493 39.1433 -14.6492 -36.9941 GPRESSAVG: 4657600 -25.2019 -20.0233 39.8121 -19.7563 36.4879 -13.9398 39.0511 -16.8378 -38.6989 TIMING: 4657600 CPU: 14004.1, 0.00306951/step Wall: 14004.1, 0.00306951/step, 0.291945 hours remaining, 208.570312 MB of memory in use. ENERGY: 4657600 739.6528 2048.3079 1941.9652 112.2014 -205990.0958 17691.8001 0.0000 0.0000 34411.3230 -149044.8453 300.5226 -183456.1684 -148953.4477 299.7352 -49.9557 -16.5563 558465.8579 -9.0363 -9.1376 PRESSURE: 4657800 -53.0642 39.8928 -38.1226 39.8929 105.93 117.241 -38.1221 117.241 -69.7035 GPRESSURE: 4657800 -7.97356 45.4692 -31.7971 67.5222 116.496 153.82 -59.1792 84.8737 -19.1384 PRESSAVG: 4657800 -121.774 -7.78619 -22.7764 -7.78621 61.3194 -5.57577 -22.7765 -5.57574 15.7908 GPRESSAVG: 4657800 -121.592 -8.45551 -22.7461 -5.57038 60.6829 -4.68264 -20.6588 -5.04337 16.6034 TIMING: 4657800 CPU: 14004.7, 0.00309643/step Wall: 14004.7, 0.00309643/step, 0.294333 hours remaining, 208.570312 MB of memory in use. ENERGY: 4657800 746.8308 2000.0798 1918.3914 115.0915 -205953.4261 17870.0897 0.0000 0.0000 34222.6164 -149080.3265 298.8746 -183302.9430 -148986.6546 299.3328 -5.6124 29.7946 557407.6662 -14.8879 -14.7687 PRESSURE: 4658000 54.6956 16.9455 29.9363 16.9455 265.25 177.1 29.9363 177.098 -43.0862 GPRESSURE: 4658000 92.5343 -34.0154 15.8526 43.2553 306.521 170.488 4.70547 172.149 -32.1487 PRESSAVG: 4658000 -12.3179 5.44813 -63.3369 5.44813 3.90857 37.5776 -63.3368 37.5776 -10.7049 GPRESSAVG: 4658000 -13.0401 5.04985 -62.4288 4.60072 3.70707 36.1523 -63.8557 36.5798 -10.1699 TIMING: 4658000 CPU: 14005.4, 0.00306845/step Wall: 14005.4, 0.00306845/step, 0.291502 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: 4658000 747.2056 2083.0945 1934.2217 114.2349 -206222.7227 17865.6652 0.0000 0.0000 34515.9228 -148962.3781 301.4361 -183478.3009 -148867.0857 299.7593 92.2865 122.3022 555621.7782 -6.3714 -6.5010 PRESSURE: 4658200 -263.28 -48.1148 32.8657 -48.116 -127.711 -17.4578 32.8668 -17.4581 -170.522 GPRESSURE: 4658200 -206.564 -41.6016 130.553 -48.3435 -131.28 104.348 -27.2432 -0.56909 -113.402 PRESSAVG: 4658200 23.3945 -3.99816 -54.4648 -3.9982 23.7486 4.68063 -54.4648 4.6806 -42.5564 GPRESSAVG: 4658200 22.819 -3.7247 -53.7156 -4.14 24.6781 5.53992 -55.94 7.10406 -42.9668 TIMING: 4658200 CPU: 14006, 0.0030805/step Wall: 14006, 0.0030805/step, 0.292476 hours remaining, 208.570312 MB of memory in use. ENERGY: 4658200 737.5245 2092.4326 1969.5194 91.7986 -205583.0361 17394.2913 0.0000 0.0000 34425.4080 -148872.0616 300.6457 -183297.4696 -148777.8190 299.8843 -187.1710 -150.4155 558144.0706 1.5289 1.5101 PRESSURE: 4658400 74.2691 -91.7924 -233.243 -91.7919 20.1627 -102.567 -233.243 -102.567 -21.7704 GPRESSURE: 4658400 90.8407 -49.1652 -225.866 -88.25 52.8118 -58.4333 -164.743 -127.174 44.0076 PRESSAVG: 4658400 -10.1696 -31.7975 -40.502 -31.7975 25.4107 -30.8679 -40.5019 -30.8679 -29.2929 GPRESSAVG: 4658400 -9.18778 -31.7786 -40.2784 -32.3008 24.9311 -29.4183 -39.1828 -33.1201 -29.7226 TIMING: 4658400 CPU: 14006.6, 0.00309047/step Wall: 14006.6, 0.00309047/step, 0.293251 hours remaining, 208.570312 MB of memory in use. ENERGY: 4658400 726.8645 2043.3570 1933.9704 111.5801 -205674.5741 17698.8105 0.0000 0.0000 34150.4322 -149009.5593 298.2442 -183159.9916 -148909.0459 299.7562 24.2204 62.5534 557916.0290 -4.6839 -4.6597 PRESSURE: 4658600 -115.63 -50.9155 -63.3831 -50.9162 -262.949 5.83093 -63.3834 5.83116 -202.59 GPRESSURE: 4658600 -111.19 34.4192 -43.8799 -60.1536 -256.28 -71.5505 -52.2128 -51.6979 -118.422 PRESSAVG: 4658600 -0.51573 0.772378 -12.0719 0.772499 7.5597 -6.33928 -12.0718 -6.33917 15.0519 GPRESSAVG: 4658600 -0.332863 -0.118711 -12.2418 2.54619 7.28954 -8.98987 -12.6433 -6.38671 14.6337 TIMING: 4658600 CPU: 14007.2, 0.00306991/step Wall: 14007.2, 0.00306991/step, 0.291129 hours remaining, 208.570312 MB of memory in use. ENERGY: 4658600 740.9876 2051.1817 1942.0345 105.6326 -205581.5250 17462.9466 0.0000 0.0000 34223.3224 -149055.4196 298.8808 -183278.7420 -148965.8501 300.0669 -193.7228 -161.9637 558830.3294 7.3653 7.1968 PRESSURE: 4658800 83.8086 168.486 120.254 168.487 -304.885 -56.9046 120.253 -56.9054 121.968 GPRESSURE: 4658800 119.47 82.6132 49.7756 140.201 -243.691 13.1024 251.194 -81.957 144.912 PRESSAVG: 4658800 -60.7847 3.96536 26.9918 3.96545 38.7395 -10.7919 26.9917 -10.7919 1.61437 GPRESSAVG: 4658800 -60.3091 3.38219 26.8867 2.87596 38.3302 -8.84216 26.1581 -10.0292 1.90755 TIMING: 4658800 CPU: 14007.8, 0.00305911/step Wall: 14007.8, 0.00305911/step, 0.289936 hours remaining, 208.570312 MB of memory in use. ENERGY: 4658800 738.7764 2061.1693 1945.7401 111.2718 -205879.0114 17590.2608 0.0000 0.0000 34220.7189 -149211.0741 298.8580 -183431.7930 -149115.4126 299.0253 -33.0362 6.8971 557048.9017 -6.8103 -6.6904 PRESSURE: 4659000 -239.459 -11.3949 65.9329 -11.3953 -75.6098 -86.6367 65.932 -86.6369 -249.632 GPRESSURE: 4659000 -192.887 41.4999 108.594 -55.3765 -100.036 -88.371 -18.9113 -72.0427 -170.22 PRESSAVG: 4659000 -39.895 7.7903 -11.357 7.7903 61.5882 3.04091 -11.3571 3.04099 26.0827 GPRESSAVG: 4659000 -40.1736 8.9792 -13.2201 7.79523 61.7816 3.18797 -10.4159 3.00925 26.1759 TIMING: 4659000 CPU: 14008.4, 0.00305787/step Wall: 14008.4, 0.00305787/step, 0.289648 hours remaining, 208.570312 MB of memory in use. ENERGY: 4659000 731.5730 2080.7365 1964.9159 103.6963 -205473.2650 17376.1173 0.0000 0.0000 34071.0692 -149145.1567 297.5511 -183216.2259 -149050.4951 298.9546 -188.2336 -154.3811 558545.2723 15.9253 15.9280 PRESSURE: 4659200 -219.892 -236.423 105.432 -236.423 -244.81 -35.3939 105.433 -35.3926 -186.91 GPRESSURE: 4659200 -210.028 -273.107 145.836 -131.131 -148.462 -26.5617 117.467 -18.4987 -197.528 PRESSAVG: 4659200 28.6471 -21.5664 8.89343 -21.5663 55.8673 -6.2235 8.89338 -6.22356 -61.086 GPRESSAVG: 4659200 28.6641 -21.3153 8.33402 -24.2157 55.8541 -6.90765 8.608 -5.31609 -61.2734 TIMING: 4659200 CPU: 14009, 0.00306915/step Wall: 14009, 0.00306915/step, 0.290547 hours remaining, 208.570312 MB of memory in use. ENERGY: 4659200 745.8860 2051.2310 1957.5237 107.3756 -205975.7433 17473.2267 0.0000 0.0000 34570.2680 -149070.2323 301.9107 -183640.5003 -148977.1009 298.6598 -217.2039 -185.3394 557940.6142 7.8095 7.7483 PRESSURE: 4659400 -82.0345 276.682 36.1866 276.683 93.1498 -37.5444 36.186 -37.5441 17.4157 GPRESSURE: 4659400 -54.8155 212.889 26.554 197.015 166.541 16.111 48.0129 -37.1621 13.3321 PRESSAVG: 4659400 28.6469 -16.6635 7.70997 -16.6635 7.05049 34.0088 7.71001 34.0088 -6.6121 GPRESSAVG: 4659400 29.1237 -18.1456 10.3505 -13.5168 6.12949 35.1331 6.47116 34.888 -6.86691 TIMING: 4659400 CPU: 14009.7, 0.00306245/step Wall: 14009.7, 0.00306245/step, 0.289742 hours remaining, 208.570312 MB of memory in use. ENERGY: 4659400 728.7774 2036.4060 1940.7231 108.4020 -205680.6933 17561.6707 0.0000 0.0000 34552.4927 -148752.2214 301.7555 -183304.7141 -148655.2084 300.8250 9.5103 41.6858 555830.2895 9.6951 9.4621 PRESSURE: 4659600 -213.925 -190.994 109.837 -190.995 195.683 -33.2134 109.836 -33.2109 68.7489 GPRESSURE: 4659600 -145.043 -159.077 61.7765 -140.643 234.613 23.6094 60.9736 -65.2497 55.6488 PRESSAVG: 4659600 -51.5476 4.23858 16.8995 4.23864 73.1002 64.3265 16.8996 64.3266 8.83562 GPRESSAVG: 4659600 -51.5764 6.23034 15.2724 3.59485 73.028 63.2938 17.4567 63.0563 9.10311 TIMING: 4659600 CPU: 14010.3, 0.00302084/step Wall: 14010.3, 0.00302084/step, 0.285637 hours remaining, 208.570312 MB of memory in use. ENERGY: 4659600 753.0778 2117.1713 1909.1628 99.9423 -205819.4041 17749.8823 0.0000 0.0000 34354.7741 -148835.3935 300.0288 -183190.1676 -148732.0796 301.1994 16.8357 48.4063 557566.7039 10.1294 10.1849 PRESSURE: 4659800 84.3622 4.28683 56.84 4.28721 -21.4105 -154.112 56.8409 -154.111 -99.6897 GPRESSURE: 4659800 87.7142 -23.2092 106.512 4.63192 6.26491 -162.888 109.189 -90.1581 -30.4493 PRESSAVG: 4659800 67.9658 19.7152 35.6145 19.7152 36.8391 6.04191 35.6144 6.04188 -73.3247 GPRESSAVG: 4659800 67.0898 18.9889 38.6559 19.7094 37.9183 2.33723 34.8395 6.82194 -74.1458 TIMING: 4659800 CPU: 14010.9, 0.00301782/step Wall: 14010.9, 0.00301782/step, 0.285184 hours remaining, 208.570312 MB of memory in use. ENERGY: 4659800 732.9159 2097.2399 1946.2017 100.1901 -205905.8080 17801.5639 0.0000 0.0000 34619.1819 -148608.5146 302.3379 -183227.6965 -148514.1330 300.5242 -12.2460 21.1766 558083.0108 10.4934 10.2874 PRESSURE: 4660000 52.5959 8.70836 68.767 8.70806 9.15967 31.8708 68.7672 31.8718 52.2582 GPRESSURE: 4660000 83.5726 54.69 -34.8295 -60.521 64.0076 151.03 101.932 -27.8453 75.0694 PRESSAVG: 4660000 -5.30563 -2.07348 39.482 -2.07351 55.0937 26.8785 39.482 26.8787 -33.7676 GPRESSAVG: 4660000 -5.56799 -2.07486 34.7705 -2.38386 53.9346 31.5668 40.649 25.294 -32.4901 TIMING: 4660000 CPU: 14011.5, 0.00304644/step Wall: 14011.5, 0.00304644/step, 0.287719 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: 4660000 752.2633 2048.4242 1944.3838 111.5950 -205909.2779 17914.3032 0.0000 0.0000 34393.0298 -148745.2787 300.3629 -183138.3085 -148647.7745 301.1680 38.0046 74.2165 557983.9215 5.3402 5.2921 PRESSURE: 4660200 -420.493 134.451 63.5518 134.452 -182.848 195.235 63.5518 195.237 -44.4726 GPRESSURE: 4660200 -403.008 90.9654 117.682 171.796 -146.744 179.853 17.9611 155.613 -1.84215 PRESSAVG: 4660200 -14.0837 -20.9642 -2.42136 -20.9642 -85.098 15.4072 -2.42129 15.4071 90.5126 GPRESSAVG: 4660200 -11.1622 -21.9851 0.0866246 -20.6458 -85.9953 12.2257 -1.31988 16.1945 88.0236 TIMING: 4660200 CPU: 14012.1, 0.00305276/step Wall: 14012.1, 0.00305276/step, 0.288147 hours remaining, 208.570312 MB of memory in use. ENERGY: 4660200 811.0120 2104.7620 1955.6806 120.9666 -205606.2359 17416.6971 0.0000 0.0000 34435.6060 -148761.5115 300.7347 -183197.1176 -148671.9259 300.4509 -215.9381 -183.8648 558068.0133 -2.8897 -3.0446 LDB: ============= START OF LOAD BALANCING ============== 14015.5 LDB: ============== END OF LOAD BALANCING =============== 14015.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14015.5 LDB: ============= START OF LOAD BALANCING ============== 14015.8 LDB: Largest compute 4820 load 0.026894 is 22.8% of average load 0.118090 LDB: Average compute 0.001730 is 1.5% of average load 0.118090 LDB: TIME 14015.8 LOAD: AVG 0.11809 MAX 0.216027 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 14015.8 LOAD: AVG 0.11809 MAX 0.216027 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: TIME 14015.8 LOAD: AVG 0.11809 MAX 0.216027 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14015.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14015.8 PRESSURE: 4660400 -420.019 14.605 -27.9012 14.6041 -165.057 75.2258 -27.9019 75.2254 -232.192 GPRESSURE: 4660400 -393.969 10.8354 -6.72348 43.3364 -97.4743 67.934 62.4608 56.9239 -235.569 PRESSAVG: 4660400 -0.697282 14.5445 -17.8777 14.5445 -17.3589 66.4391 -17.8777 66.4392 6.28853 GPRESSAVG: 4660400 -2.50502 13.5676 -17.7476 14.4067 -16.0511 67.7145 -20.7152 66.7878 6.22418 TIMING: 4660400 CPU: 14012.7, 0.00308809/step Wall: 14012.7, 0.00308809/step, 0.29131 hours remaining, 207.789062 MB of memory in use. ENERGY: 4660400 776.5266 2037.0067 1929.9442 107.8083 -205323.6158 17403.5324 0.0000 0.0000 34296.6328 -148772.1648 299.5210 -183068.7976 -148670.5430 300.0099 -272.4225 -242.3374 558905.2406 -3.9226 -4.1106 PRESSURE: 4660600 -28.7557 -22.1633 -19.8739 -22.1627 -82.1363 -105.749 -19.8742 -105.75 205.718 GPRESSURE: 4660600 16.3825 21.8516 -6.42276 -44.5641 -54.1508 -96.3873 -32.2752 -96.4811 237.863 PRESSAVG: 4660600 36.8493 10.7229 1.8923 10.7229 -22.1007 -19.5581 1.89231 -19.5581 -12.4736 GPRESSAVG: 4660600 37.226 13.0842 0.361927 9.96441 -23.4046 -19.7257 4.15135 -20.3846 -11.863 TIMING: 4660600 CPU: 14013.3, 0.00301489/step Wall: 14013.3, 0.00301489/step, 0.284237 hours remaining, 207.988281 MB of memory in use. ENERGY: 4660600 728.7965 2124.9225 1925.8114 110.4351 -206195.2517 17852.4076 0.0000 0.0000 34571.8131 -148881.0654 301.9242 -183452.8785 -148785.3548 300.8524 31.6087 66.6981 557391.2010 0.7583 0.6528 PRESSURE: 4660800 24.6016 -144.677 -19.9191 -144.678 -389.474 62.9664 -19.9201 62.9665 -158.13 GPRESSURE: 4660800 21.6059 -124.313 62.2802 -213.584 -335.681 170.209 -26.8509 110.222 -102.044 PRESSAVG: 4660800 8.04956 -13.836 0.941679 -13.836 31.471 -25.5244 0.941686 -25.5244 -15.0586 GPRESSAVG: 4660800 7.87684 -15.0864 1.72138 -14.1504 31.607 -23.6608 0.785262 -26.8892 -14.8972 TIMING: 4660800 CPU: 14013.9, 0.00301203/step Wall: 14013.9, 0.00301203/step, 0.2838 hours remaining, 207.988281 MB of memory in use. ENERGY: 4660800 789.6408 2008.5411 1953.4837 113.1004 -205851.4285 17607.0985 0.0000 0.0000 34163.5881 -149215.9759 298.3591 -183379.5640 -149121.1364 299.8176 -174.3339 -138.7063 557681.0107 8.1540 8.1956 PRESSURE: 4661000 -63.0588 -29.8583 202.673 -29.857 31.4247 146.112 202.672 146.111 -198.443 GPRESSURE: 4661000 -36.1346 -26.3056 177.682 -55.0652 97.9305 96.4355 98.7433 78.4817 -195.076 PRESSAVG: 4661000 -16.3263 -16.1519 -3.83388 -16.152 -13.2662 23.189 -3.83391 23.189 7.39654 GPRESSAVG: 4661000 -17.104 -15.8056 -1.90028 -14.5102 -11.9083 21.8674 -4.18171 25.9046 6.86807 TIMING: 4661000 CPU: 14014.5, 0.00301863/step Wall: 14014.5, 0.00301863/step, 0.284254 hours remaining, 207.988281 MB of memory in use. ENERGY: 4661000 757.7510 2021.0942 1938.7193 104.7929 -206169.7089 17767.4603 0.0000 0.0000 34318.0011 -149261.8901 299.7076 -183579.8912 -149164.5618 298.9314 -76.6923 -44.4268 556611.1509 -7.3986 -7.3814 PRESSURE: 4661200 176.955 47.5337 120.252 47.5335 -40.8086 110.746 120.253 110.746 -97.1671 GPRESSURE: 4661200 201.219 -65.0725 115.295 134.144 -5.48912 80.2772 54.0326 136.614 -44.105 PRESSAVG: 4661200 58.5777 -31.1236 0.905841 -31.1236 8.89959 7.82019 0.905912 7.82015 -70.2955 GPRESSAVG: 4661200 59.6756 -31.5744 0.532965 -30.9791 7.11309 5.83039 0.0946803 7.6828 -69.6068 TIMING: 4661200 CPU: 14015.1, 0.00304484/step Wall: 14015.1, 0.00304484/step, 0.286553 hours remaining, 207.988281 MB of memory in use. ENERGY: 4661200 747.5433 2048.5252 1952.2783 114.4796 -206545.2113 18052.9265 0.0000 0.0000 34403.2216 -149226.2368 300.4519 -183629.4584 -149128.6528 298.9230 12.9932 50.5418 557399.2788 -0.9394 -0.9394 PRESSURE: 4661400 -146.126 -9.64161 11.602 -9.64205 153.168 0.765447 11.6012 0.763636 152.986 GPRESSURE: 4661400 -93.0748 7.71934 -3.48074 -50.7826 142.681 86.6951 -65.4339 22.669 204.483 PRESSAVG: 4661400 69.5128 -39.3328 -14.3559 -39.3328 -2.44274 52.567 -14.3559 52.567 -3.45954 GPRESSAVG: 4661400 70.1802 -38.4975 -18.441 -40.5962 -2.95795 53.9313 -10.6808 51.3477 -3.46173 TIMING: 4661400 CPU: 14015.7, 0.00305391/step Wall: 14015.7, 0.00305391/step, 0.287237 hours remaining, 207.988281 MB of memory in use. ENERGY: 4661400 740.2234 2030.1280 1939.8209 113.8629 -206366.2428 18012.7209 0.0000 0.0000 34212.0498 -149317.4369 298.7823 -183529.4867 -149225.1059 298.6654 53.3428 84.6967 559494.1582 21.2035 21.2535 PRESSURE: 4661600 -115.617 61.1519 -77.7287 61.1517 240.53 148.352 -77.73 148.354 -198.967 GPRESSURE: 4661600 -30.1918 55.161 -218.571 15.2792 224.948 44.2242 5.6938 243.394 -176.638 PRESSAVG: 4661600 -14.391 -7.14887 -26.6595 -7.14876 -7.34229 4.33059 -26.6595 4.33069 5.54673 GPRESSAVG: 4661600 -15.2053 -7.71084 -25.6919 -7.52019 -6.23979 3.54233 -28.5596 5.68576 5.00518 TIMING: 4661600 CPU: 14016.3, 0.00301804/step Wall: 14016.3, 0.00301804/step, 0.283696 hours remaining, 207.988281 MB of memory in use. ENERGY: 4661600 725.2525 2051.8286 1927.4557 121.8293 -206249.2958 17883.3368 0.0000 0.0000 34298.5564 -149241.0365 299.5378 -183539.5928 -149146.9534 298.2233 -24.6846 6.0393 559212.5906 -5.3955 -5.4800 PRESSURE: 4661800 25.9509 47.8605 8.66279 47.8598 -32.7711 207.805 8.66262 207.804 97.0008 GPRESSURE: 4661800 64.1116 -20.2022 96.0789 104.634 -24.8672 242.577 14.4549 120.533 157.258 PRESSAVG: 4661800 -63.9413 -9.1454 -46.8348 -9.14527 32.2323 10.1405 -46.8349 10.1403 65.8574 GPRESSAVG: 4661800 -62.7169 -9.87095 -46.314 -8.71112 31.7343 10.3144 -46.5919 9.15351 65.0115 TIMING: 4661800 CPU: 14016.9, 0.0030025/step Wall: 14016.9, 0.0030025/step, 0.282068 hours remaining, 207.988281 MB of memory in use. ENERGY: 4661800 731.1933 2057.0415 1949.5408 126.5123 -206219.4969 17869.1196 0.0000 0.0000 34128.9276 -149357.1618 298.0564 -183486.0894 -149258.6008 299.4910 30.0602 65.5008 557536.9517 11.3828 11.3430 PRESSURE: 4662000 -465.496 -73.4541 -275.734 -73.4551 -224.911 70.6738 -275.734 70.6754 -138.227 GPRESSURE: 4662000 -460.974 -28.4479 -233.87 -130.252 -169.511 56.0677 -307.527 125.369 -109.431 PRESSAVG: 4662000 -31.4312 -10.2198 -30.4206 -10.2197 -23.9068 11.1423 -30.4207 11.1424 -5.90906 GPRESSAVG: 4662000 -31.6135 -10.3698 -28.1017 -8.84698 -24.282 11.9182 -31.6457 10.5681 -4.99989 TIMING: 4662000 CPU: 14017.5, 0.00304504/step Wall: 14017.5, 0.00304504/step, 0.285896 hours remaining, 208.191406 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: 4662000 774.3107 2121.0429 1918.3624 115.6718 -205858.1348 17415.4195 0.0000 0.0000 34188.6054 -149324.7221 298.5776 -183513.3275 -149230.7228 298.8423 -276.2114 -246.6387 558029.4848 -20.4157 -20.2985 PRESSURE: 4662200 -20.0993 272.808 -105.431 272.807 -180.809 -33.3214 -105.432 -33.3193 81.6895 GPRESSURE: 4662200 14.4451 253.45 -160.976 196.957 -101.685 -41.2655 -12.0312 -17.5795 69.1752 PRESSAVG: 4662200 11.661 40.2463 -60.7979 40.2462 -41.3891 17.8894 -60.7979 17.8894 48.5168 GPRESSAVG: 4662200 11.3978 40.6715 -62.319 38.3285 -41.3181 15.9284 -61.2666 17.8605 48.4848 TIMING: 4662200 CPU: 14018.2, 0.00307149/step Wall: 14018.2, 0.00307149/step, 0.288208 hours remaining, 208.191406 MB of memory in use. ENERGY: 4662200 713.8782 2087.5913 1933.5383 110.8633 -206268.3686 17779.6750 0.0000 0.0000 34117.7642 -149525.0583 297.9589 -183642.8225 -149428.1772 299.1151 -39.7396 -6.0215 557663.8755 6.2629 6.1882 PRESSURE: 4662400 -83.3171 -124.705 -34.2681 -124.705 -389.555 -8.55592 -34.268 -8.55467 -70.4084 GPRESSURE: 4662400 -72.0995 -120.825 -16.7028 -145.304 -345.821 -29.6897 -60.3702 68.8933 -35.7069 PRESSAVG: 4662400 8.23924 -26.0097 -53.1193 -26.0097 -71.1945 -5.54756 -53.1192 -5.54755 24.0667 GPRESSAVG: 4662400 7.47121 -26.6305 -52.7974 -24.0888 -71.0715 -3.68027 -53.4932 -4.55372 24.9032 TIMING: 4662400 CPU: 14018.8, 0.0030339/step Wall: 14018.8, 0.0030339/step, 0.284512 hours remaining, 208.191406 MB of memory in use. ENERGY: 4662400 744.4039 2111.9578 1965.0128 110.2475 -206122.2966 17463.3209 0.0000 0.0000 34193.2413 -149534.1123 298.6181 -183727.3536 -149437.6975 298.6562 -181.0934 -151.2093 558154.8165 -12.9629 -12.8990 PRESSURE: 4662600 33.3847 88.8842 1.07024 88.8845 -85.7027 27.529 1.07075 27.53 44.6359 GPRESSURE: 4662600 105.289 59.8718 -4.94605 49.0177 -72.1281 3.24738 20.4013 43.311 58.1375 PRESSAVG: 4662600 -21.985 58.0184 7.03032 58.0184 -69.0214 16.8398 7.03028 16.8398 105.725 GPRESSAVG: 4662600 -20.5795 59.8575 6.37435 57.9572 -69.7909 19.1437 8.13719 16.6449 105.771 TIMING: 4662600 CPU: 14019.4, 0.00305131/step Wall: 14019.4, 0.00305131/step, 0.285975 hours remaining, 208.191406 MB of memory in use. ENERGY: 4662600 720.1643 2090.2841 1956.8508 117.9197 -206337.8622 17783.1636 0.0000 0.0000 34194.8513 -149474.6283 298.6321 -183669.4796 -149382.2484 298.5820 -2.5607 30.4329 557642.3393 4.9062 5.1335 PRESSURE: 4662800 -95.1834 55.8154 -96.118 55.8172 -76.5732 125.722 -96.1191 125.722 -347.993 GPRESSURE: 4662800 -69.3549 33.7142 -158.267 71.3587 -53.9626 97.5945 -66.6049 107.05 -293.168 PRESSAVG: 4662800 22.126 -0.0782971 -40.1074 -0.0783266 -27.7467 3.43813 -40.1074 3.43804 38.1684 GPRESSAVG: 4662800 21.2098 -1.79404 -41.9236 -0.571976 -26.157 0.111223 -36.9475 4.9906 37.8223 TIMING: 4662800 CPU: 14020, 0.00305281/step Wall: 14020, 0.00305281/step, 0.285946 hours remaining, 208.191406 MB of memory in use. ENERGY: 4662800 756.8264 2109.2336 1947.0095 111.6034 -206302.0731 17790.5984 0.0000 0.0000 34070.9001 -149515.9017 297.5496 -183586.8018 -149425.5305 298.8509 -173.2497 -138.8286 558230.7123 10.8492 10.9584 PRESSURE: 4663000 104.259 27.5336 212.867 27.5331 -40.8518 -8.62768 212.867 -8.62821 -78.0606 GPRESSURE: 4663000 110.588 56.3252 145.557 45.6828 -13.0017 -33.9468 189.565 -15.69 -23.7814 PRESSAVG: 4663000 85.7628 -13.792 -25.45 -13.7919 -23.1788 9.85277 -25.4501 9.85276 36.4486 GPRESSAVG: 4663000 86.5768 -13.1677 -22.4196 -14.8822 -23.5145 11.4548 -30.0382 6.59879 35.6752 TIMING: 4663000 CPU: 14020.6, 0.00307472/step Wall: 14020.6, 0.00307472/step, 0.287828 hours remaining, 208.191406 MB of memory in use. ENERGY: 4663000 784.8353 2093.3706 1974.7664 140.3350 -206788.4373 17995.6616 0.0000 0.0000 34286.1346 -149513.3339 299.4293 -183799.4685 -149414.3407 298.1742 -4.8844 24.6017 558007.9855 33.0109 32.9125 PRESSURE: 4663200 78.0223 -29.1231 90.372 -29.1232 8.11101 -157.729 90.3698 -157.731 -130.662 GPRESSURE: 4663200 142.668 -41.186 118.175 -95.5832 45.0956 -144.488 43.5647 -47.4189 -117.348 PRESSAVG: 4663200 2.96359 -33.3803 -21.0901 -33.3803 -31.1635 16.8575 -21.09 16.8574 16.2215 GPRESSAVG: 4663200 2.02498 -31.9385 -21.9179 -33.3508 -30.79 18.3252 -19.7056 17.7008 16.8259 TIMING: 4663200 CPU: 14021.2, 0.00304943/step Wall: 14021.2, 0.00304943/step, 0.285291 hours remaining, 208.191406 MB of memory in use. ENERGY: 4663200 773.3139 2146.5508 1947.7534 109.6491 -206095.7650 17645.3087 0.0000 0.0000 34209.1033 -149264.0858 298.7566 -183473.1891 -149173.0365 299.1531 -14.8430 23.4717 557598.4548 -3.9928 -3.9797 PRESSURE: 4663400 4.21157 36.4297 -41.3634 36.4304 -28.333 151.312 -41.3638 151.314 241.687 GPRESSURE: 4663400 -9.44592 55.8046 -20.0411 -29.5895 -17.2807 132.737 -98.3322 103.454 346.989 PRESSAVG: 4663400 24.6954 28.1883 19.4128 28.1884 -51.6007 33.9954 19.4128 33.9953 24.9691 GPRESSAVG: 4663400 26.5044 25.1182 16.6564 30.0441 -52.0156 32.8559 21.6767 32.8676 24.1589 TIMING: 4663400 CPU: 14021.8, 0.00304599/step Wall: 14021.8, 0.00304599/step, 0.2848 hours remaining, 208.191406 MB of memory in use. ENERGY: 4663400 740.5305 2112.3469 1942.5645 114.9263 -206703.4480 18040.4557 0.0000 0.0000 34289.7530 -149462.8711 299.4609 -183752.6241 -149363.9218 299.0286 72.5219 106.7543 556252.8285 -0.6454 -0.4508 PRESSURE: 4663600 130.704 73.1881 -112.194 73.1879 37.3094 48.4882 -112.194 48.4879 4.71601 GPRESSURE: 4663600 156.509 15.1602 -101.965 124.392 119.478 40.0368 -51.9744 21.2731 -3.5882 PRESSAVG: 4663600 -2.88622 36.8652 -24.3301 36.8651 0.975545 -9.03101 -24.33 -9.03097 19.8214 GPRESSAVG: 4663600 -5.22114 38.0742 -23.6961 35.634 2.01021 -7.16184 -25.5112 -6.45779 21.0214 TIMING: 4663600 CPU: 14022.4, 0.00303619/step Wall: 14022.4, 0.00303619/step, 0.283715 hours remaining, 208.191406 MB of memory in use. ENERGY: 4663600 720.9768 2109.3098 1925.5226 112.8230 -206327.1607 17930.5527 0.0000 0.0000 34122.0163 -149405.9595 297.9961 -183527.9758 -149309.7796 298.0510 57.5766 90.7996 557228.0577 5.9703 5.9368 PRESSURE: 4663800 -151.586 -55.8765 -88.3757 -55.8762 43.6343 -207.394 -88.3756 -207.392 33.3528 GPRESSURE: 4663800 -147.576 -17.1561 -95.4224 -40.5049 31.3076 -247.954 -61.3115 -234.322 135.062 PRESSAVG: 4663800 -11.7385 31.366 -35.2633 31.366 38.2895 -5.75017 -35.2632 -5.75015 -8.04999 GPRESSAVG: 4663800 -11.4706 34.0195 -35.0096 29.5276 37.669 -6.99145 -34.7823 -7.15798 -8.16946 TIMING: 4663800 CPU: 14023, 0.00303062/step Wall: 14023, 0.00303062/step, 0.283026 hours remaining, 208.191406 MB of memory in use. ENERGY: 4663800 740.8089 2170.9597 1920.5652 125.6725 -206187.1136 17658.9835 0.0000 0.0000 34072.7226 -149497.4012 297.5656 -183570.1238 -149409.4796 298.2531 -24.8663 6.2646 556935.7293 6.1670 6.0097 PRESSURE: 4664000 -13.9647 -190.278 54.2999 -190.278 272.755 123.471 54.3001 123.473 108.285 GPRESSURE: 4664000 77.0465 -243.6 83.4135 -120.249 287.869 177.743 -12.036 33.0689 102.015 PRESSAVG: 4664000 -45.5817 16.8172 38.6718 16.8173 24.364 -27.9942 38.6719 -27.9943 47.4421 GPRESSAVG: 4664000 -44.9959 16.7133 40.9928 16.9213 22.9301 -30.4711 38.1056 -27.8061 47.6869 TIMING: 4664000 CPU: 14023.6, 0.00305807/step Wall: 14023.6, 0.00305807/step, 0.28542 hours remaining, 208.191406 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: 4664000 775.1089 2077.6368 1929.9204 110.4558 -206694.0641 18176.2344 0.0000 0.0000 34215.0902 -149409.6177 298.8089 -183624.7078 -149308.8173 298.2112 122.3586 155.6436 557532.2007 8.7415 8.5403 PRESSURE: 4664200 -290.648 -55.4536 -119.492 -55.4548 31.3733 -7.773 -119.492 -7.77262 -209.3 GPRESSURE: 4664200 -278.885 -1.26275 -93.0935 -18.4332 105.381 22.1066 -82.8071 7.82937 -198.716 PRESSAVG: 4664200 -99.2989 51.9568 20.4484 51.9567 22.5624 31.9016 20.4483 31.9016 69.8596 GPRESSAVG: 4664200 -99.6599 50.4415 20.8384 52.2436 24.4245 32.7252 18.8383 31.7729 68.2958 TIMING: 4664200 CPU: 14024.3, 0.00304627/step Wall: 14024.3, 0.00304627/step, 0.284149 hours remaining, 208.191406 MB of memory in use. ENERGY: 4664200 763.0565 2051.1860 1922.3492 112.8939 -206033.2534 17593.5967 0.0000 0.0000 34181.6555 -149408.5155 298.5169 -183590.1710 -149313.4630 298.8655 -156.1918 -124.0735 557845.0160 -2.2923 -2.3132 LDB: ============= START OF LOAD BALANCING ============== 14027.7 LDB: ============== END OF LOAD BALANCING =============== 14027.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14027.7 LDB: ============= START OF LOAD BALANCING ============== 14028 LDB: Largest compute 4820 load 0.030354 is 25.7% of average load 0.118070 LDB: Average compute 0.001735 is 1.5% of average load 0.118070 LDB: TIME 14028 LOAD: AVG 0.11807 MAX 0.215761 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.301 MB LDB: TIME 14028 LOAD: AVG 0.11807 MAX 0.215761 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.305 MB LDB: TIME 14028 LOAD: AVG 0.11807 MAX 0.215761 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.305 MB LDB: ============== END OF LOAD BALANCING =============== 14028 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14028 PRESSURE: 4664400 -37.2693 71.0811 23.4299 71.0814 -194.934 -39.7341 23.4288 -39.7344 96.349 GPRESSURE: 4664400 -5.46344 146.898 35.6215 -15.2857 -168.084 -89.6787 137.029 -17.9686 144.709 PRESSAVG: 4664400 -32.2303 -14.0595 19.5088 -14.0595 -38.2471 -22.614 19.5089 -22.6139 7.56261 GPRESSAVG: 4664400 -32.6004 -15.3911 18.0064 -11.4314 -38.3255 -21.0115 21.9197 -22.958 7.81044 TIMING: 4664400 CPU: 14024.9, 0.00310515/step Wall: 14024.9, 0.00310515/step, 0.289469 hours remaining, 208.558594 MB of memory in use. ENERGY: 4664400 754.7146 2073.4404 1965.6527 109.1973 -206313.5085 17808.5723 0.0000 0.0000 34186.7697 -149415.1616 298.5616 -183601.9313 -149318.1787 298.1483 -45.2848 -9.6130 558119.0743 -20.9716 -21.0385 PRESSURE: 4664600 332.004 -49.2473 46.8443 -49.2463 284.388 -48.7446 46.845 -48.7449 215.497 GPRESSURE: 4664600 345.936 -95.5538 51.715 3.94431 310.391 -113.633 82.4076 -14.7723 272.382 PRESSAVG: 4664600 -1.13348 0.27954 7.92218 0.279596 -21.0806 17.4327 7.92212 17.4327 47.1655 GPRESSAVG: 4664600 -0.93241 2.12992 8.95246 -1.14465 -22.3535 17.0821 6.87227 18.4572 47.8973 TIMING: 4664600 CPU: 14025.5, 0.00305039/step Wall: 14025.5, 0.00305039/step, 0.284195 hours remaining, 208.558594 MB of memory in use. ENERGY: 4664600 737.5723 2129.4501 1928.4725 120.4483 -206849.0218 18327.4597 0.0000 0.0000 34405.6025 -149200.0164 300.4727 -183605.6189 -149110.6479 298.8929 277.2966 309.5697 557334.8649 8.3172 8.2038 PRESSURE: 4664800 -30.0754 111.085 0.556411 111.084 -145.286 179.328 0.556423 179.329 -109.8 GPRESSURE: 4664800 0.814484 63.74 -67.14 115.874 -123.129 140.747 -23.5508 204.541 -59.009 PRESSAVG: 4664800 23.1761 28.5209 39.9324 28.5208 -3.21334 6.31506 39.9323 6.31506 -20.4741 GPRESSAVG: 4664800 22.8713 25.3979 38.629 28.9971 -2.1721 4.24631 39.2776 6.2491 -21.1158 TIMING: 4664800 CPU: 14026.1, 0.00304603/step Wall: 14026.1, 0.00304603/step, 0.283619 hours remaining, 208.558594 MB of memory in use. ENERGY: 4664800 733.8383 2123.5209 1943.7491 117.0191 -205986.4453 17609.5366 0.0000 0.0000 34398.6209 -149060.1603 300.4117 -183458.7812 -148964.7158 299.9460 -95.0538 -60.4412 558315.7132 -0.1705 -0.1389 PRESSURE: 4665000 -123.338 -86.4969 153.524 -86.4967 -78.2535 -35.5289 153.524 -35.5281 38.2507 GPRESSURE: 4665000 -77.8431 -36.7588 105.19 -95.6967 -64.7968 -9.31581 115.178 -57.8035 73.4909 PRESSAVG: 4665000 0.101895 -55.8079 18.4784 -55.808 -23.9518 40.8822 18.4784 40.8822 -10.7012 GPRESSAVG: 4665000 -0.0408138 -53.006 19.7391 -55.9542 -25.2035 43.9009 19.9416 38.5181 -9.86844 TIMING: 4665000 CPU: 14026.7, 0.00305271/step Wall: 14026.7, 0.00305271/step, 0.284072 hours remaining, 208.558594 MB of memory in use. ENERGY: 4665000 730.8118 2130.7763 1943.7126 127.8282 -205729.9542 17478.4794 0.0000 0.0000 34289.2823 -149029.0637 299.4568 -183318.3460 -148934.3733 300.3819 -54.4470 -23.0497 558021.8018 -11.5170 -11.7043 PRESSURE: 4665200 -227.824 149.722 -29.4888 149.721 106.691 -217.807 -29.4899 -217.807 -188.411 GPRESSURE: 4665200 -216.38 76.3852 -21.9174 214.618 160.183 -258.651 -44.8802 -178.094 -153.644 PRESSAVG: 4665200 -20.8585 -33.7209 34.3784 -33.721 43.1929 0.861117 34.3784 0.860985 10.8025 GPRESSAVG: 4665200 -21.4494 -34.5858 34.149 -34.4582 44.593 0.237312 33.4622 2.76202 10.2476 TIMING: 4665200 CPU: 14027.3, 0.00304625/step Wall: 14027.3, 0.00304625/step, 0.283301 hours remaining, 208.558594 MB of memory in use. ENERGY: 4665200 741.3316 2031.9985 1952.1582 106.8479 -205944.6406 17644.1700 0.0000 0.0000 34393.4681 -149074.6663 300.3667 -183468.1344 -148973.4333 299.6104 -103.1812 -69.9471 558579.9206 11.0456 11.1304 PRESSURE: 4665400 15.1299 24.8794 -275.444 24.8803 -263.653 58.002 -275.444 58.0028 -94.9567 GPRESSURE: 4665400 18.748 -6.15848 -220.721 11.3182 -237.19 17.5293 -245.58 12.8431 -33.4035 PRESSAVG: 4665400 -24.9937 -16.2253 -16.7878 -16.2254 -28.2132 -14.5079 -16.7878 -14.5079 25.1346 GPRESSAVG: 4665400 -23.7357 -15.5762 -18.7399 -16.8762 -28.7627 -15.9597 -14.7233 -15.5447 25.0228 TIMING: 4665400 CPU: 14027.9, 0.00305411/step Wall: 14027.9, 0.00305411/step, 0.283862 hours remaining, 208.558594 MB of memory in use. ENERGY: 4665400 782.2753 2081.9260 1942.0701 107.9213 -206079.9739 17824.5626 0.0000 0.0000 34332.3230 -149008.8956 299.8327 -183341.2186 -148909.5718 299.8470 -114.4934 -83.9485 558424.4802 -9.3574 -9.1585 PRESSURE: 4665600 105.006 76.365 43.3335 76.3641 -130.878 119.854 43.3318 119.855 -96.1139 GPRESSURE: 4665600 176.984 38.4436 115.462 62.1267 -121.658 114.457 102.249 28.9045 -81.903 PRESSAVG: 4665600 5.81699 42.0727 26.7289 42.0728 -32.2543 29.3867 26.729 29.3867 21.1396 GPRESSAVG: 4665600 5.58207 41.9727 27.8272 42.6496 -31.1708 30.9461 26.003 29.5522 20.2831 TIMING: 4665600 CPU: 14028.5, 0.00310677/step Wall: 14028.5, 0.00310677/step, 0.288584 hours remaining, 208.558594 MB of memory in use. ENERGY: 4665600 757.9691 2069.2277 1951.4204 107.7400 -206064.1922 17849.8240 0.0000 0.0000 34226.5338 -149101.4773 298.9088 -183328.0110 -149000.5980 299.0098 -40.6619 -8.8590 559693.5019 -1.7659 -1.7686 PRESSURE: 4665800 -28.6492 47.4349 144.126 47.435 -358.889 -56.062 144.127 -56.0631 -195.498 GPRESSURE: 4665800 30.9509 36.8049 79.443 110.489 -326.533 -112.137 210.079 -26.8636 -193.414 PRESSAVG: 4665800 -6.12975 56.4539 48.3829 56.4538 -25.0603 -13.4269 48.3829 -13.4269 -4.88015 GPRESSAVG: 4665800 -6.73067 55.2622 48.0671 60.6188 -25.6112 -14.5635 47.653 -12.7034 -3.38237 TIMING: 4665800 CPU: 14029.2, 0.00307832/step Wall: 14029.2, 0.00307832/step, 0.285771 hours remaining, 208.558594 MB of memory in use. ENERGY: 4665800 768.1081 2024.9860 1946.4247 101.6096 -205678.9715 17429.3634 0.0000 0.0000 34307.1633 -149101.3163 299.6130 -183408.4796 -149003.2309 298.3807 -194.3454 -162.9985 558472.4226 -12.0234 -11.9081 PRESSURE: 4666000 127.99 -51.2986 -230.474 -51.2978 -66.3952 117.42 -230.474 117.418 -35.1391 GPRESSURE: 4666000 148.952 -158.33 -219.075 32.8798 -49.1045 152.685 -213.832 85.7207 33.8278 PRESSAVG: 4666000 -19.2743 -33.2249 33.6144 -33.2247 -9.57669 70.9793 33.6144 70.9794 5.57081 GPRESSAVG: 4666000 -19.2568 -31.2659 34.4576 -36.781 -9.68626 69.8036 32.0634 69.9402 5.444 TIMING: 4666000 CPU: 14029.8, 0.00305006/step Wall: 14029.8, 0.00305006/step, 0.282978 hours remaining, 208.558594 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: 4666000 744.0486 2078.2244 1953.8603 101.1416 -206155.1517 17831.3835 0.0000 0.0000 34210.9488 -149235.5445 298.7727 -183446.4933 -149137.1239 298.4590 8.8184 44.5583 557325.3891 -7.7600 -7.8330 PRESSURE: 4666200 36.7771 -36.7317 -33.1689 -36.7319 432.173 -157.05 -33.1685 -157.05 243.069 GPRESSURE: 4666200 116.03 -26.971 -71.4459 -6.69371 466.584 -140.623 -43.1118 -128.265 223.896 PRESSAVG: 4666200 7.82118 72.4838 57.4356 72.4838 59.1419 13.2507 57.4356 13.2507 -33.4281 GPRESSAVG: 4666200 9.26078 72.0514 56.8288 72.2247 58.6578 14.2153 59.2945 13.0332 -34.2342 TIMING: 4666200 CPU: 14030.4, 0.00307618/step Wall: 14030.4, 0.00307618/step, 0.28523 hours remaining, 208.558594 MB of memory in use. ENERGY: 4666200 733.8591 2120.3614 1930.2561 104.4569 -206647.1783 18229.7920 0.0000 0.0000 34161.5004 -149366.9524 298.3409 -183528.4528 -149263.2128 299.1669 237.3399 268.8364 556221.1884 11.1783 11.2281 PRESSURE: 4666400 -140.285 118.34 18.2144 118.341 108.777 -76.3053 18.2148 -76.3047 -129.267 GPRESSURE: 4666400 -31.376 76.7286 -36.3037 56.8412 84.0994 -87.0576 0.445392 17.3802 -103.579 PRESSAVG: 4666400 42.2616 64.3116 4.27307 64.3114 -10.4519 -83.949 4.27303 -83.949 -5.28168 GPRESSAVG: 4666400 42.248 64.291 5.55215 64.8537 -10.1678 -82.7351 2.44722 -81.7651 -5.07995 TIMING: 4666400 CPU: 14031, 0.00308671/step Wall: 14031, 0.00308671/step, 0.286035 hours remaining, 208.816406 MB of memory in use. ENERGY: 4666400 758.3847 2108.1728 1960.1874 111.4701 -205991.0216 17573.9565 0.0000 0.0000 34281.1095 -149197.7407 299.3855 -183478.8502 -149098.4993 298.6825 -53.5916 -16.9518 556574.7645 8.8427 9.0001 PRESSURE: 4666600 40.3265 180.454 228.291 180.456 302.603 -131.867 228.291 -131.866 -205.327 GPRESSURE: 4666600 132.34 242.984 174.868 135.15 271.328 -172.587 244.756 -150.606 -168.987 PRESSAVG: 4666600 -43.7227 50.7467 64.9753 50.7467 96.6183 -48.5327 64.9753 -48.5327 -18.5625 GPRESSAVG: 4666600 -42.122 49.7006 61.8801 52.5683 95.5269 -50.0934 67.7316 -48.5961 -18.2989 TIMING: 4666600 CPU: 14031.6, 0.00304672/step Wall: 14031.6, 0.00304672/step, 0.28216 hours remaining, 208.816406 MB of memory in use. ENERGY: 4666600 787.5530 2062.9862 1959.4729 112.3797 -206318.1066 17884.2822 0.0000 0.0000 34201.2913 -149310.1413 298.6884 -183511.4326 -149211.7309 299.0005 45.8673 78.2272 556600.4834 11.4444 11.7020 PRESSURE: 4666800 -82.3165 156.459 -65.9496 156.459 -141.738 36.2742 -65.9501 36.2739 -117.125 GPRESSURE: 4666800 -19.9455 171.95 -73.7548 119.878 -101.793 103.894 -92.3439 49.0164 -133.763 PRESSAVG: 4666800 83.0989 72.7898 27.3435 72.7898 20.72 -46.7883 27.3435 -46.7884 -97.992 GPRESSAVG: 4666800 81.271 73.0345 30.2225 70.8967 22.9936 -45.3627 26.4004 -47.4494 -98.3699 TIMING: 4666800 CPU: 14032.2, 0.00302151/step Wall: 14032.2, 0.00302151/step, 0.279657 hours remaining, 208.816406 MB of memory in use. ENERGY: 4666800 769.5523 2171.5337 1923.9124 122.7131 -206286.0686 17694.2419 0.0000 0.0000 34293.5001 -149310.6151 299.4937 -183604.1152 -149216.0024 299.3367 -113.7263 -85.1675 556596.2165 1.9423 1.9649 PRESSURE: 4667000 -107.751 79.7912 -154.895 79.7905 174.712 -38.2984 -154.896 -38.2987 -43.22 GPRESSURE: 4667000 -37.3116 182.197 -155.377 91.2722 130.888 -52.0445 -141.866 4.83717 43.7814 PRESSAVG: 4667000 -21.2719 48.4006 2.77873 48.4005 14.2374 12.5637 2.77872 12.5638 41.5828 GPRESSAVG: 4667000 -20.1499 48.9861 1.33059 47.6486 13.2467 9.29779 3.62685 13.5829 41.4856 TIMING: 4667000 CPU: 14032.8, 0.00301881/step Wall: 14032.8, 0.00301881/step, 0.27924 hours remaining, 208.816406 MB of memory in use. ENERGY: 4667000 753.7867 2146.0556 1956.0831 131.8553 -206463.3407 17839.9485 0.0000 0.0000 34308.4245 -149327.1870 299.6240 -183635.6116 -149229.3603 299.4027 7.9137 45.7861 555380.2267 11.5161 11.5275 PRESSURE: 4667200 -218.017 -15.1868 -146.861 -15.188 -426.262 120.538 -146.86 120.538 43.4994 GPRESSURE: 4667200 -151.85 -1.24824 -149.389 99.7661 -388.569 212.167 -200.101 163.809 31.1369 PRESSAVG: 4667200 55.9689 9.61214 -75.9901 9.61212 -14.788 11.4112 -75.9901 11.4113 -49.5105 GPRESSAVG: 4667200 54.8583 8.57561 -74.4141 10.5346 -14.4331 13.1167 -76.1916 10.2245 -48.6403 TIMING: 4667200 CPU: 14033.4, 0.00302217/step Wall: 14033.4, 0.00302217/step, 0.279383 hours remaining, 208.816406 MB of memory in use. ENERGY: 4667200 767.5370 2138.2316 1952.6373 104.5972 -205897.0018 17458.9478 0.0000 0.0000 34234.2117 -149240.8392 298.9759 -183475.0509 -149146.6090 298.7827 -200.2597 -169.7607 558531.7064 -2.7765 -2.7384 PRESSURE: 4667400 -295.702 23.7372 -66.6353 23.7382 -228.985 1.51282 -66.6356 1.51268 -278.528 GPRESSURE: 4667400 -241.989 -42.9893 -10.8265 87.1563 -219.396 -65.5882 -119.825 72.0612 -252.429 PRESSAVG: 4667400 -3.59299 -65.8438 -66.4365 -65.8439 -28.2282 13.5037 -66.4366 13.5036 26.8422 GPRESSAVG: 4667400 -3.62581 -64.0641 -67.8621 -65.9991 -27.7236 14.119 -67.7016 13.9665 26.1427 TIMING: 4667400 CPU: 14034, 0.00303153/step Wall: 14034, 0.00303153/step, 0.28008 hours remaining, 208.816406 MB of memory in use. ENERGY: 4667400 815.9067 2145.8639 1925.7474 115.6061 -206120.4217 17467.9803 0.0000 0.0000 34385.8903 -149263.4269 300.3005 -183649.3173 -149160.3580 299.6585 -267.7382 -237.9381 556434.2622 -1.6596 -1.7356 PRESSURE: 4667600 -135.073 -126.028 172.862 -126.028 -192.196 -6.32523 172.864 -6.32684 -39.7272 GPRESSURE: 4667600 -155.126 -37.4451 181.289 -137.875 -161.225 -4.21648 154.235 17.5171 50.3032 PRESSAVG: 4667600 -44.9872 28.1952 22.298 28.1953 26.0975 -38.4998 22.298 -38.4998 27.7828 GPRESSAVG: 4667600 -45.4033 29.2246 23.8433 26.3509 25.87 -36.9242 22.3075 -39.6735 28.2003 TIMING: 4667600 CPU: 14034.6, 0.00305124/step Wall: 14034.6, 0.00305124/step, 0.281731 hours remaining, 208.816406 MB of memory in use. ENERGY: 4667600 734.1827 2083.6704 1942.5601 118.5203 -206148.0602 17537.4691 0.0000 0.0000 34389.6786 -149341.9789 300.3336 -183731.6576 -149241.6616 298.9925 -122.3319 -88.6826 557129.1684 2.9644 2.8890 PRESSURE: 4667800 -205.528 1.63542 60.696 1.63612 -29.5319 -27.8537 60.6959 -27.8532 22.322 GPRESSURE: 4667800 -164.544 69.0508 44.7474 -24.6047 -27.0848 -45.7171 48.3489 -37.5875 78.5368 PRESSAVG: 4667800 -25.2065 -25.1589 10.7504 -25.1589 52.1237 14.2681 10.7505 14.2681 -58.4372 GPRESSAVG: 4667800 -24.5719 -26.8077 12.1758 -23.8491 50.2019 12.2742 10.2798 14.75 -57.1674 TIMING: 4667800 CPU: 14035.3, 0.00306375/step Wall: 14035.3, 0.00306375/step, 0.282716 hours remaining, 208.816406 MB of memory in use. ENERGY: 4667800 748.6917 2057.2373 1924.2859 115.9864 -205718.6980 17471.7211 0.0000 0.0000 34147.1731 -149253.6025 298.2158 -183400.7756 -149146.9637 298.4439 -70.9126 -37.6974 556250.7258 -10.5067 -10.5125 PRESSURE: 4668000 -83.135 -94.2213 -159.67 -94.2221 -243.48 171.451 -159.67 171.451 190.073 GPRESSURE: 4668000 -24.917 -53.3359 -172.608 -101.103 -227.004 189.91 -196.738 152.19 223.517 PRESSAVG: 4668000 -55.3223 -36.4269 18.1158 -36.4268 8.36824 7.21783 18.1157 7.21782 65.9389 GPRESSAVG: 4668000 -55.8079 -36.7488 15.8673 -37.3332 9.04421 7.42862 19.236 7.40768 65.2781 TIMING: 4668000 CPU: 14035.9, 0.00308138/step Wall: 14035.9, 0.00308138/step, 0.284172 hours remaining, 208.816406 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: 4668000 735.6200 2096.3536 1943.1941 109.8275 -206399.2437 17860.9537 0.0000 0.0000 34226.7812 -149426.5135 298.9110 -183653.2947 -149331.5500 299.1038 -45.5139 -9.4678 557167.2205 6.3283 6.1715 PRESSURE: 4668200 -9.45309 -218.267 102.937 -218.268 135.335 8.1613 102.936 8.15999 100.118 GPRESSURE: 4668200 84.815 -214.173 51.9271 -185.993 146.059 67.8845 165.546 -29.9664 82.4625 PRESSAVG: 4668200 -30.462 -56.9917 47.1524 -56.9918 -33.0613 58.5022 47.1524 58.5023 24.1791 GPRESSAVG: 4668200 -29.45 -57.7251 48.361 -56.1399 -33.6861 59.5596 46.1663 57.3413 23.3246 TIMING: 4668200 CPU: 14036.5, 0.00305734/step Wall: 14036.5, 0.00305734/step, 0.281785 hours remaining, 208.816406 MB of memory in use. ENERGY: 4668200 740.3698 2092.3809 1959.1849 117.0339 -206489.5621 17973.3665 0.0000 0.0000 34203.7002 -149403.5258 298.7094 -183607.2261 -149312.8455 298.6953 75.3336 104.4455 556078.8040 -13.1147 -13.2705 LDB: ============= START OF LOAD BALANCING ============== 14039.9 LDB: ============== END OF LOAD BALANCING =============== 14039.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14039.9 LDB: ============= START OF LOAD BALANCING ============== 14040.2 LDB: Largest compute 4820 load 0.029721 is 25.2% of average load 0.118159 LDB: Average compute 0.001738 is 1.5% of average load 0.118159 LDB: TIME 14040.2 LOAD: AVG 0.118159 MAX 0.214472 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 14040.2 LOAD: AVG 0.118159 MAX 0.214472 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: TIME 14040.2 LOAD: AVG 0.118159 MAX 0.214472 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: ============== END OF LOAD BALANCING =============== 14040.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14040.2 PRESSURE: 4668400 200.19 32.0672 -73.5404 32.0665 -113.894 -68.6989 -73.5416 -68.6975 9.08332 GPRESSURE: 4668400 203.406 82.0645 -89.699 66.98 -36.5841 -94.4627 -73.8957 19.5861 31.5808 PRESSAVG: 4668400 -13.0764 1.84489 32.2235 1.84491 -24.3073 22.5178 32.2236 22.5179 51.8281 GPRESSAVG: 4668400 -12.8784 1.12926 31.9056 2.48274 -23.2559 19.946 31.0685 26.7276 51.0493 TIMING: 4668400 CPU: 14037.1, 0.00312087/step Wall: 14037.1, 0.00312087/step, 0.287467 hours remaining, 207.277344 MB of memory in use. ENERGY: 4668400 747.5433 2096.2038 1982.5840 107.3236 -206601.0553 18053.4514 0.0000 0.0000 34271.3195 -149342.6297 299.3000 -183613.9492 -149247.0502 298.2813 31.7931 66.1343 556781.3320 4.8148 4.9716 PRESSURE: 4668600 -48.4722 -63.3909 -47.4424 -63.3904 183.422 -31.8303 -47.442 -31.831 107.015 GPRESSURE: 4668600 12.0119 -48.2021 -20.5004 58.4782 203.046 -62.1251 -47.9777 40.6786 124.031 PRESSAVG: 4668600 1.55087 -26.1369 -80.4544 -26.1368 -27.6349 -27.5097 -80.4543 -27.5098 20.5796 GPRESSAVG: 4668600 -0.256307 -24.4527 -82.3613 -26.9212 -27.2775 -26.3249 -78.3004 -29.0386 21.8798 TIMING: 4668600 CPU: 14037.7, 0.00305852/step Wall: 14037.7, 0.00305852/step, 0.281554 hours remaining, 207.277344 MB of memory in use. ENERGY: 4668600 747.6744 2099.5615 1940.4740 98.1098 -206319.4583 17863.7777 0.0000 0.0000 34257.9130 -149311.9478 299.1829 -183569.8608 -149213.7937 298.8666 80.6550 113.0296 556671.8049 -1.8348 -1.8847 PRESSURE: 4668800 -214.663 -101.376 86.5484 -101.375 -103.604 123.24 86.5477 123.241 108.712 GPRESSURE: 4668800 -211.222 -129.194 0.756797 -195.849 -44.0983 152.658 148.914 91.8452 127.335 PRESSAVG: 4668800 -28.8241 8.89209 -57.2428 8.8921 -51.0998 -7.72292 -57.2428 -7.72294 70.4205 GPRESSAVG: 4668800 -28.9507 7.83757 -55.2764 7.08422 -50.7654 -6.66402 -58.8787 -8.9033 70.204 TIMING: 4668800 CPU: 14038.3, 0.0030511/step Wall: 14038.3, 0.0030511/step, 0.280701 hours remaining, 207.277344 MB of memory in use. ENERGY: 4668800 758.4797 2051.4645 1930.2453 111.3627 -206028.0707 17605.2525 0.0000 0.0000 34261.4527 -149309.8134 299.2138 -183571.2660 -149210.4018 299.1060 -69.8514 -42.6618 556284.6139 -3.1678 -3.1707 PRESSURE: 4669000 -207.232 -83.7129 -47.3384 -83.7123 -18.1144 -58.0891 -47.3366 -58.0896 -88.2738 GPRESSURE: 4669000 -192.644 -12.009 6.926 -99.0794 51.3748 8.82592 0.735491 -67.1385 -73.1561 PRESSAVG: 4669000 12.0637 -33.1958 27.3312 -33.1959 6.83884 3.14018 27.3312 3.14017 -10.7329 GPRESSAVG: 4669000 12.5611 -33.9845 25.9963 -31.2087 6.90314 3.70824 30.4492 3.0734 -11.6132 TIMING: 4669000 CPU: 14038.9, 0.00306978/step Wall: 14038.9, 0.00306978/step, 0.282249 hours remaining, 207.277344 MB of memory in use. ENERGY: 4669000 765.7152 2026.5935 1947.1458 111.4976 -205685.1845 17390.3273 0.0000 0.0000 34262.8986 -149181.0065 299.2264 -183443.9051 -149083.3518 299.4326 -104.5401 -71.4751 555567.7023 2.7232 2.6170 PRESSURE: 4669200 338.244 -83.3109 11.9291 -83.3123 102.369 31.0691 11.929 31.0695 37.0212 GPRESSURE: 4669200 388.652 -106.311 -37.0377 -40.7467 145.9 63.7844 -13.7863 -40.3462 38.0339 PRESSAVG: 4669200 -19.0437 -23.8774 -14.4255 -23.8774 42.3063 5.38591 -14.4254 5.38593 -13.9003 GPRESSAVG: 4669200 -18.2833 -23.695 -13.2596 -24.3191 41.4115 3.58878 -16.6771 7.13835 -14.2557 TIMING: 4669200 CPU: 14039.6, 0.00303914/step Wall: 14039.6, 0.00303914/step, 0.279263 hours remaining, 207.277344 MB of memory in use. ENERGY: 4669200 788.8017 2070.7610 1925.0154 122.1482 -206220.2679 18032.6918 0.0000 0.0000 34115.6185 -149165.2312 297.9402 -183280.8497 -149070.8420 299.3784 159.2113 190.8621 556326.7877 3.1208 2.9575 PRESSURE: 4669400 -112.305 -29.6429 110.23 -29.6428 -75.6175 -44.6971 110.23 -44.697 11.9971 GPRESSURE: 4669400 -97.9166 -28.0678 110.293 -71.8772 -18.4235 0.235904 62.4016 -45.1745 52.5373 PRESSAVG: 4669400 -105.969 16.4372 35.6405 16.4373 38.291 30.9101 35.6404 30.91 47.568 GPRESSAVG: 4669400 -107.331 15.5639 35.8838 16.6687 38.2551 30.3227 35.1747 31.5241 48.9357 TIMING: 4669400 CPU: 14040.2, 0.00302802/step Wall: 14040.2, 0.00302802/step, 0.278073 hours remaining, 207.277344 MB of memory in use. ENERGY: 4669400 766.1411 2107.9095 1951.3096 117.0364 -205869.9596 17764.7040 0.0000 0.0000 34083.2340 -149079.6250 297.6574 -183162.8590 -148988.8040 300.0302 -58.6417 -21.2676 556714.2615 -6.7033 -6.7133 PRESSURE: 4669600 -5.32447 -19.4798 10.9482 -19.4774 -258.34 49.5785 10.9474 49.5792 -146.794 GPRESSURE: 4669600 -14.2239 -42.2481 54.4912 -53.611 -198.545 91.4467 -53.1029 -25.2145 -97.3728 PRESSAVG: 4669600 69.3499 36.2688 24.2017 36.2688 -19.7437 50.535 24.2017 50.5351 -25.9128 GPRESSAVG: 4669600 69.7244 38.2154 24.2298 35.6608 -19.7949 53.0669 26.3336 46.8581 -26.3689 TIMING: 4669600 CPU: 14040.8, 0.0030676/step Wall: 14040.8, 0.0030676/step, 0.281537 hours remaining, 207.277344 MB of memory in use. ENERGY: 4669600 744.7975 2084.9476 1899.2993 107.8858 -205589.2660 17385.6658 0.0000 0.0000 34331.4732 -149035.1967 299.8253 -183366.6700 -148935.3197 300.1426 -136.8194 -103.3804 558301.1072 7.8978 7.8535 PRESSURE: 4669800 40.7909 173.745 -23.6237 173.745 62.7054 38.9056 -23.6232 38.905 -193.63 GPRESSURE: 4669800 30.9303 220.667 -50.7735 211.168 145.135 123.217 103.7 9.82679 -158.638 PRESSAVG: 4669800 46.2896 -13.6929 -48.0301 -13.6928 -23.2227 35.7846 -48.0302 35.7845 -40.3465 GPRESSAVG: 4669800 46.5608 -13.4689 -46.5694 -13.0231 -23.6471 34.5129 -49.7664 37.1433 -40.3709 TIMING: 4669800 CPU: 14041.4, 0.00306646/step Wall: 14041.4, 0.00306646/step, 0.281263 hours remaining, 207.277344 MB of memory in use. ENERGY: 4669800 771.5493 2091.1036 1923.0179 115.6405 -206154.4572 17801.6802 0.0000 0.0000 34267.1332 -149184.3326 299.2634 -183451.4658 -149083.9991 299.2740 -30.0445 5.8089 557075.4526 -5.7598 -5.8190 PRESSURE: 4670000 -256.006 -42.3752 49.6384 -42.3763 25.5589 31.2243 49.6391 31.2246 29.0331 GPRESSURE: 4670000 -146.626 -96.5976 39.4571 -61.1814 20.8564 -26.16 142.885 50.6663 33.9432 PRESSAVG: 4670000 69.686 -66.1783 9.60913 -66.1784 7.48571 4.32796 9.60907 4.32792 -65.921 GPRESSAVG: 4670000 69.2843 -67.3998 8.17741 -66.5904 7.22344 3.00592 10.1341 6.89198 -65.3077 TIMING: 4670000 CPU: 14042, 0.00304624/step Wall: 14042, 0.00304624/step, 0.279239 hours remaining, 207.332031 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: 4670000 728.3588 2099.5373 1932.1548 122.9164 -205548.2217 17439.7284 0.0000 0.0000 34185.1681 -149040.3580 298.5476 -183225.5261 -148947.1013 298.4279 -67.1379 -30.6088 558132.2638 3.7502 3.7333 PRESSURE: 4670200 -73.8343 81.2866 85.4536 81.2863 -129.082 -64.0505 85.4527 -64.0515 101.788 GPRESSURE: 4670200 -11.5233 65.6153 73.5277 102.313 -73.0673 -63.3727 123.642 -23.4816 86.721 PRESSAVG: 4670200 -33.2561 -53.4818 43.0092 -53.4818 13.1716 16.4177 43.0092 16.4177 24.3705 GPRESSAVG: 4670200 -33.1014 -52.7998 43.3623 -54.3964 15.2602 18.8753 38.8722 13.9572 22.453 TIMING: 4670200 CPU: 14042.6, 0.00305024/step Wall: 14042.6, 0.00305024/step, 0.279436 hours remaining, 207.332031 MB of memory in use. ENERGY: 4670200 761.9971 2135.5266 1945.2463 110.4568 -205968.6890 17821.1135 0.0000 0.0000 34102.4748 -149091.8739 297.8254 -183194.3487 -148989.2839 299.2031 -33.7095 0.7101 558337.1253 1.4287 1.5373 PRESSURE: 4670400 116.693 -29.8521 -33.857 -29.8511 319.926 23.8049 -33.857 23.8058 67.3983 GPRESSURE: 4670400 177.652 -32.4202 -55.8616 16.802 350.884 14.0721 -8.35473 29.6105 77.9232 PRESSAVG: 4670400 -18.5707 36.8422 25.0905 36.8421 -19.1619 62.7998 25.0906 62.7997 0.0218462 GPRESSAVG: 4670400 -18.0633 37.6519 24.3543 37.4399 -20.2604 61.6128 29.0555 64.4435 0.402115 TIMING: 4670400 CPU: 14043.2, 0.00305767/step Wall: 14043.2, 0.00305767/step, 0.279947 hours remaining, 207.332031 MB of memory in use. ENERGY: 4670400 724.8356 2115.3129 1929.5879 105.1877 -206378.0812 18002.6087 0.0000 0.0000 34349.1725 -149151.3758 299.9799 -183500.5483 -149056.0224 299.2323 168.0057 202.1530 556504.8843 -12.5703 -12.6405 PRESSURE: 4670600 35.7289 13.7488 50.2373 13.7485 80.6888 141.97 50.2385 141.97 -85.9479 GPRESSURE: 4670600 71.856 -15.7999 -13.3667 47.1271 117.325 174.364 44.229 129.032 -65.5978 PRESSAVG: 4670600 -12.2594 8.82641 -7.57168 8.82648 3.2924 -15.592 -7.57173 -15.592 -4.6108 GPRESSAVG: 4670600 -12.2062 6.29917 -6.21825 9.06909 1.94181 -15.1466 -7.52342 -15.4075 -3.67159 TIMING: 4670600 CPU: 14043.8, 0.00305148/step Wall: 14043.8, 0.00305148/step, 0.279211 hours remaining, 207.332031 MB of memory in use. ENERGY: 4670600 755.4060 2069.9750 1901.4608 115.6189 -206265.0129 17782.0122 0.0000 0.0000 34443.8672 -149196.6729 300.8069 -183640.5401 -149094.6103 299.1384 10.1566 41.1943 556316.2476 -4.5259 -4.6453 PRESSURE: 4670800 -337.36 -57.3884 159.232 -57.3892 -170.055 -93.1332 159.232 -93.1339 -133.674 GPRESSURE: 4670800 -272.417 -105.694 144.197 -104.608 -124.331 -52.8 159.179 -122.962 -130.914 PRESSAVG: 4670800 -88.7507 -13.839 67.5219 -13.8391 83.6171 2.04213 67.5219 2.04223 50.6638 GPRESSAVG: 4670800 -88.8741 -14.4522 67.8938 -13.3822 85.2473 2.88291 67.6194 0.409089 49.5245 TIMING: 4670800 CPU: 14044.4, 0.00306119/step Wall: 14044.4, 0.00306119/step, 0.279928 hours remaining, 207.332031 MB of memory in use. ENERGY: 4670800 731.1449 2075.6911 1921.7851 124.0150 -205805.7916 17491.4502 0.0000 0.0000 34387.0463 -149074.6590 300.3106 -183461.7054 -148976.6067 299.4544 -213.6962 -175.8873 557932.9822 15.1767 15.2993 PRESSURE: 4671000 220.598 -114.515 75.7609 -114.516 -75.3658 94.9384 75.7613 94.9396 -295.049 GPRESSURE: 4671000 288.469 0.0134681 54.3563 -33.5606 -68.0471 76.3594 -2.23048 87.1715 -274.169 PRESSAVG: 4671000 -15.0321 -59.6344 47.4498 -59.6345 59.1412 2.46873 47.4497 2.46881 -49.5651 GPRESSAVG: 4671000 -15.7077 -57.8863 47.7051 -60.4199 58.3408 1.26728 46.0865 3.21043 -48.0643 TIMING: 4671000 CPU: 14045.1, 0.00305516/step Wall: 14045.1, 0.00305516/step, 0.279208 hours remaining, 207.332031 MB of memory in use. ENERGY: 4671000 755.0203 2148.1765 1902.4602 114.8028 -206053.8962 17755.9070 0.0000 0.0000 34218.3059 -149159.2235 298.8370 -183377.5294 -149065.3332 299.8816 -49.9388 -17.9157 558237.4220 -1.8187 -1.8104 PRESSURE: 4671200 43.1533 -3.70508 -65.8665 -3.70384 -30.1741 -187.762 -65.8653 -187.763 75.1782 GPRESSURE: 4671200 102.819 7.58278 -99.549 -84.5326 -1.94958 -114.455 -153.561 -159.183 84.6873 PRESSAVG: 4671200 25.7835 23.651 72.7904 23.651 72.616 -8.6774 72.7905 -8.6775 -72.2888 GPRESSAVG: 4671200 26.7255 23.33 71.7717 23.6858 74.3323 -9.62438 75.0525 -7.65019 -75.0516 TIMING: 4671200 CPU: 14045.7, 0.00305965/step Wall: 14045.7, 0.00305965/step, 0.279448 hours remaining, 207.332031 MB of memory in use. ENERGY: 4671200 744.4291 2070.5244 1934.3240 103.2490 -205944.0815 17742.0593 0.0000 0.0000 34174.6130 -149174.8827 298.4554 -183349.4957 -149075.6583 299.2916 29.3858 61.8523 557535.8323 8.7036 8.6687 PRESSURE: 4671400 34.1796 -4.26324 -37.5056 -4.26427 -29.1274 -181.43 -37.506 -181.431 122.781 GPRESSURE: 4671400 55.6316 38.6627 -16.6029 -37.2442 -16.5221 -168.566 39.963 -160.726 198.674 PRESSAVG: 4671400 8.25898 13.7842 6.77015 13.7841 0.215747 -76.7773 6.77006 -76.7774 21.2546 GPRESSAVG: 4671400 7.94761 13.5172 6.55533 12.5726 -0.707684 -73.786 6.30867 -75.9502 21.9183 TIMING: 4671400 CPU: 14046.3, 0.00304202/step Wall: 14046.3, 0.00304202/step, 0.277669 hours remaining, 207.332031 MB of memory in use. ENERGY: 4671400 745.8199 2015.5046 1907.1749 105.3664 -206285.7146 17903.6276 0.0000 0.0000 34338.8966 -149269.3245 299.8901 -183608.2212 -149175.3421 299.6728 42.6112 79.2610 556363.8223 9.9098 9.7194 PRESSURE: 4671600 64.4789 -25.012 12.5138 -25.0119 123.146 -33.3208 12.5128 -33.3187 75.798 GPRESSURE: 4671600 107.24 -14.801 -46.2428 -52.1086 161.376 -22.7185 16.7018 6.42138 92.6664 PRESSAVG: 4671600 -20.5765 -3.03407 71.9646 -3.03398 29.1233 -25.9498 71.9646 -25.9498 -37.4113 GPRESSAVG: 4671600 -21.8767 -2.66509 70.32 -1.02688 29.6087 -26.963 73.4793 -28.3025 -36.4806 TIMING: 4671600 CPU: 14046.9, 0.0030283/step Wall: 14046.9, 0.0030283/step, 0.276248 hours remaining, 207.332031 MB of memory in use. ENERGY: 4671600 748.8267 2108.7712 1932.9339 116.4375 -206397.1938 17832.9658 0.0000 0.0000 34300.6417 -149356.6171 299.5560 -183657.2588 -149262.4571 299.2456 87.8076 120.4276 557158.4139 -9.6215 -9.5828 PRESSURE: 4671800 121.479 -29.4664 185.687 -29.4652 -42.735 -2.62608 185.686 -2.62752 52.8829 GPRESSURE: 4671800 208.795 11.5027 197.858 -12.2665 -51.6811 -60.1129 117.781 85.4871 60.0484 PRESSAVG: 4671800 34.5087 -37.3883 87.4874 -37.3883 -9.04936 -42.8578 87.4873 -42.8578 14.8818 GPRESSAVG: 4671800 35.5665 -36.2769 91.7359 -37.9676 -9.87353 -44.3635 84.7913 -42.0831 14.2389 TIMING: 4671800 CPU: 14047.5, 0.00306927/step Wall: 14047.5, 0.00306927/step, 0.279815 hours remaining, 207.332031 MB of memory in use. ENERGY: 4671800 757.0030 2077.4373 1918.9230 112.5290 -206314.9459 17926.8813 0.0000 0.0000 34215.7205 -149306.4518 298.8144 -183522.1723 -149201.1910 299.5531 43.8758 72.3874 556898.4737 13.4471 13.3106 PRESSURE: 4672000 83.4295 10.1952 -175.074 10.1934 233.86 170.828 -175.075 170.829 -139.631 GPRESSURE: 4672000 93.5477 37.4698 -185.225 24.6733 281.582 108.062 -71.0463 156.28 -94.5285 PRESSAVG: 4672000 47.5257 1.1789 21.8921 1.1789 -59.4055 38.323 21.8919 38.3229 -2.59425 GPRESSAVG: 4672000 47.167 0.92933 17.0631 1.37438 -59.6236 38.6537 25.6882 36.7881 -2.01398 TIMING: 4672000 CPU: 14048.1, 0.00304409/step Wall: 14048.1, 0.00304409/step, 0.27735 hours remaining, 207.332031 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: 4672000 718.5104 2092.4263 1932.2227 123.6399 -206666.2817 17873.1434 0.0000 0.0000 34320.8575 -149605.4815 299.7326 -183926.3390 -149511.6977 299.1595 59.2194 93.5338 555487.2871 -4.8247 -4.8235 PRESSURE: 4672200 -267.442 102.057 15.5154 102.057 37.1272 -73.6565 15.5153 -73.6595 17.007 GPRESSURE: 4672200 -187.797 52.7202 35.7956 179.655 11.5769 -74.1286 50.108 33.0831 53.1034 PRESSAVG: 4672200 -29.1022 -10.0037 53.0459 -10.0037 27.141 15.6598 53.046 15.6598 -0.0509924 GPRESSAVG: 4672200 -27.9985 -10.5286 54.1227 -10.4443 27.3549 16.2202 51.6742 15.6312 -1.32082 TIMING: 4672200 CPU: 14048.7, 0.00306134/step Wall: 14048.7, 0.00306134/step, 0.278752 hours remaining, 207.332031 MB of memory in use. ENERGY: 4672200 791.0333 2100.2984 1935.3470 97.7557 -206350.5611 17647.5304 0.0000 0.0000 34121.4455 -149657.1508 297.9911 -183778.5963 -149558.9380 297.8240 -71.1027 -41.0390 555959.8619 -0.6707 -0.6548 LDB: ============= START OF LOAD BALANCING ============== 14052.2 LDB: ============== END OF LOAD BALANCING =============== 14052.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14052.2 LDB: ============= START OF LOAD BALANCING ============== 14052.5 LDB: Largest compute 4820 load 0.029250 is 24.8% of average load 0.118127 LDB: Average compute 0.001732 is 1.5% of average load 0.118127 LDB: TIME 14052.5 LOAD: AVG 0.118127 MAX 0.217731 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.977 MB LDB: TIME 14052.5 LOAD: AVG 0.118127 MAX 0.217731 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.977 MB LDB: TIME 14052.5 LOAD: AVG 0.118127 MAX 0.217731 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.977 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14052.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14052.5 PRESSURE: 4672400 -121.992 164.591 -128.976 164.59 -380.987 -103.612 -128.978 -103.61 -293.801 GPRESSURE: 4672400 -66.9864 110.226 -240.693 131.571 -384.278 -76.073 18.4286 -87.7321 -250.082 PRESSAVG: 4672400 25.2467 4.61105 1.23089 4.61095 -44.5011 5.55012 1.23083 5.55023 6.20955 GPRESSAVG: 4672400 23.4824 4.8499 0.242308 3.83963 -45.1259 4.97717 1.67993 7.68772 8.51725 TIMING: 4672400 CPU: 14049.3, 0.00315303/step Wall: 14049.3, 0.00315303/step, 0.286925 hours remaining, 208.558594 MB of memory in use. ENERGY: 4672400 740.8828 2062.6332 1945.6460 103.1853 -205942.2442 17370.0200 0.0000 0.0000 34083.4156 -149636.4615 297.6589 -183719.8771 -149539.3245 297.9240 -265.5930 -233.7820 557976.9310 -4.3483 -4.3754 PRESSURE: 4672600 -53.3293 29.9748 92.1042 29.9748 -89.1207 -29.0716 92.1048 -29.0734 -126.719 GPRESSURE: 4672600 23.8796 32.0807 60.7271 27.078 -141.137 -69.4447 51.7396 18.5944 -55.292 PRESSAVG: 4672600 24.47 27.3146 20.1989 27.3146 -83.8348 -10.7173 20.1988 -10.7173 2.07438 GPRESSAVG: 4672600 24.6461 27.7603 22.3321 27.6605 -83.5064 -9.65356 18.0174 -10.2701 1.28688 TIMING: 4672600 CPU: 14050, 0.00306804/step Wall: 14050, 0.00306804/step, 0.279021 hours remaining, 208.761719 MB of memory in use. ENERGY: 4672600 754.4388 2066.7569 1954.5618 118.6071 -206618.6573 17698.1290 0.0000 0.0000 34149.1822 -149876.9816 298.2333 -184026.1638 -149777.7360 298.0925 -89.7230 -57.5163 556456.3233 -19.0968 -19.1912 PRESSURE: 4672800 57.6978 -146.8 -140.765 -146.8 -55.1853 50.2191 -140.766 50.2188 -77.4026 GPRESSURE: 4672800 87.135 -179.273 -113.836 -88.0635 -43.2262 101.587 -157.656 72.3444 -32.0867 PRESSAVG: 4672800 52.6071 -16.9808 -66.8269 -16.9807 -4.71813 -59.9757 -66.8268 -59.9759 -54.4509 GPRESSAVG: 4672800 51.9942 -16.2261 -67.6845 -16.3412 -3.85852 -62.3871 -65.3008 -59.6922 -54.8871 TIMING: 4672800 CPU: 14050.6, 0.00307053/step Wall: 14050.6, 0.00307053/step, 0.279077 hours remaining, 208.761719 MB of memory in use. ENERGY: 4672800 728.7317 2091.8718 1948.6318 114.6112 -206567.9512 17754.2779 0.0000 0.0000 34026.0821 -149903.7447 297.1582 -183929.8268 -149812.4022 297.3487 -24.9634 3.9407 556837.9345 -2.1873 -2.2505 PRESSURE: 4673000 94.1757 -122.072 -226.178 -122.073 -30.8155 100.048 -226.178 100.048 -59.8269 GPRESSURE: 4673000 111.449 -174.775 -246.5 -95.0735 -6.27507 183.776 -191.984 55.1447 -17.132 PRESSAVG: 4673000 -35.2359 -37.2759 -47.7534 -37.276 -23.9417 22.5621 -47.7534 22.5623 33.6707 GPRESSAVG: 4673000 -34.4904 -35.1556 -49.4667 -38.7499 -25.0107 23.9806 -46.2168 19.8376 33.7706 TIMING: 4673000 CPU: 14051.2, 0.00305398/step Wall: 14051.2, 0.00305398/step, 0.277403 hours remaining, 208.761719 MB of memory in use. ENERGY: 4673000 673.0880 2092.8421 1930.6501 121.9169 -206583.2159 17959.8774 0.0000 0.0000 33909.4015 -149895.4397 296.1392 -183804.8412 -149799.0623 298.1522 1.1778 29.3472 557659.1237 -8.5023 -8.5768 PRESSURE: 4673200 375.974 -112.43 -105.105 -112.429 103.893 86.5525 -105.104 86.5521 78.517 GPRESSURE: 4673200 438.254 -192.554 -101.742 -78.9869 146.613 179.488 -67.0687 12.2588 66.4552 PRESSAVG: 4673200 53.8395 24.6794 1.24793 24.6794 -5.93868 42.6058 1.24797 42.6057 -48.2708 GPRESSAVG: 4673200 53.1629 21.8045 4.74919 27.1154 -6.17727 43.2833 -1.39128 42.8599 -46.948 TIMING: 4673200 CPU: 14051.8, 0.00305143/step Wall: 14051.8, 0.00305143/step, 0.277002 hours remaining, 208.761719 MB of memory in use. ENERGY: 4673200 761.6617 2092.2978 1957.7587 113.6265 -207145.1493 18380.8704 0.0000 0.0000 33907.9496 -149930.9847 296.1266 -183838.9342 -149845.3830 297.7697 186.1280 217.1071 557092.6776 -0.1233 0.0125 PRESSURE: 4673400 5.39534 -24.1941 -62.3078 -24.1944 -258.493 -162.734 -62.3079 -162.736 -57.0515 GPRESSURE: 4673400 89.9681 -79.4384 -65.5738 -41.3629 -198.001 -129.48 -8.44972 -255.666 -103.167 PRESSAVG: 4673400 -6.78648 33.4998 -23.8747 33.4997 60.3127 8.10248 -23.8746 8.10257 -73.2835 GPRESSAVG: 4673400 -5.46177 35.4437 -26.3863 30.5601 60.865 7.9792 -22.7339 7.07952 -75.3145 TIMING: 4673400 CPU: 14052.4, 0.00304272/step Wall: 14052.4, 0.00304272/step, 0.276043 hours remaining, 208.761719 MB of memory in use. ENERGY: 4673400 768.9385 2074.2666 1956.2048 113.9753 -206397.0910 17802.4739 0.0000 0.0000 34042.7912 -149638.4407 297.3042 -183681.2319 -149539.6922 297.2355 -103.3829 -70.3999 557488.6434 -6.5858 -6.6371 PRESSURE: 4673600 91.5118 129.291 65.8853 129.29 72.9273 47.3084 65.8849 47.3117 -248.631 GPRESSURE: 4673600 125.67 42.8608 -40.2249 123.204 113.958 42.3794 95.383 44.1589 -219.462 PRESSAVG: 4673600 42.3105 37.4135 23.2849 37.4135 -6.39785 23.0491 23.2849 23.0492 -16.868 GPRESSAVG: 4673600 42.091 36.546 23.3131 40.196 -7.25371 23.1776 23.3319 23.8643 -16.2399 TIMING: 4673600 CPU: 14053, 0.00305255/step Wall: 14053, 0.00305255/step, 0.276765 hours remaining, 208.761719 MB of memory in use. ENERGY: 4673600 775.8205 2108.7808 1923.2641 111.1098 -206638.3234 17928.7561 0.0000 0.0000 34083.7122 -149706.8798 297.6615 -183790.5920 -149609.6068 297.9337 -28.0640 6.7222 556376.1162 6.3482 6.1991 PRESSURE: 4673800 -74.2899 40.9924 84.5079 40.9902 -112.78 -196.573 84.5066 -196.574 226.662 GPRESSURE: 4673800 -40.3673 48.719 52.9273 11.2313 -2.25406 -179.923 94.1527 -150.825 174.511 PRESSAVG: 4673800 12.563 14.1672 49.6048 14.1672 70.8321 27.4307 49.6047 27.4308 -53.5665 GPRESSAVG: 4673800 12.467 15.3023 48.6584 12.8333 71.9004 27.8788 49.8 26.1208 -54.2208 TIMING: 4673800 CPU: 14053.6, 0.00302214/step Wall: 14053.6, 0.00302214/step, 0.273839 hours remaining, 208.761719 MB of memory in use. ENERGY: 4673800 748.1887 2075.6329 1936.4197 111.4937 -206882.9306 17936.8903 0.0000 0.0000 34306.3498 -149767.9554 299.6059 -184074.3052 -149678.5513 297.9833 13.1974 43.9632 554811.5155 9.9428 10.0489 PRESSURE: 4674000 -75.432 -27.3932 -78.9222 -27.3923 291.061 -192.061 -78.9233 -192.059 -212.265 GPRESSURE: 4674000 -71.412 58.0729 -103.881 -47.8156 280.895 -124.008 34.5878 -259.278 -120.034 PRESSAVG: 4674000 -82.0781 -30.3496 -47.1655 -30.3497 42.9937 -22.0351 -47.1655 -22.0351 -14.2949 GPRESSAVG: 4674000 -81.6661 -31.039 -46.5559 -28.892 41.4634 -21.4011 -48.1942 -21.3041 -13.2871 TIMING: 4674000 CPU: 14054.2, 0.00305172/step Wall: 14054.2, 0.00305172/step, 0.27635 hours remaining, 208.761719 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: 4674000 748.7791 2144.3480 1923.6027 122.8793 -206398.6662 17701.7290 0.0000 0.0000 34159.3302 -149597.9979 298.3219 -183757.3282 -149501.0108 298.1575 1.1213 29.8161 555472.0897 -17.7931 -17.8299 PRESSURE: 4674200 -51.4532 -115.954 108.564 -115.953 -79.5777 -101.439 108.562 -101.44 -139.816 GPRESSURE: 4674200 -3.82415 -117.089 116.095 -58.746 -57.459 -62.0538 76.537 -87.2547 -87.2032 PRESSAVG: 4674200 -31.3694 -19.5629 -5.52916 -19.5629 -12.1449 -5.5768 -5.52915 -5.57675 66.7546 GPRESSAVG: 4674200 -32.5115 -20.0309 -5.95453 -23.8291 -10.5384 -5.97073 -5.404 -5.70076 66.3227 TIMING: 4674200 CPU: 14054.8, 0.00304903/step Wall: 14054.8, 0.00304903/step, 0.275938 hours remaining, 208.761719 MB of memory in use. ENERGY: 4674200 735.3900 2009.7805 1941.7517 117.0283 -206426.6911 17849.4619 0.0000 0.0000 34195.8738 -149577.4049 298.6411 -183773.2787 -149472.7480 297.6567 -90.2824 -49.4954 556523.3378 7.7468 7.7576 PRESSURE: 4674400 134.493 -60.6886 -64.0742 -60.6887 55.3783 201.316 -64.0747 201.316 -44.2024 GPRESSURE: 4674400 123.824 -159.299 -69.9323 -19.1575 76.227 222.136 -30.6135 265.715 57.0185 PRESSAVG: 4674400 52.6614 -11.8506 -55.9054 -11.8506 -53.8368 92.4824 -55.9054 92.4824 -21.7987 GPRESSAVG: 4674400 53.5413 -14.2089 -54.663 -6.1099 -55.18 92.6868 -57.2851 93.9131 -21.6415 TIMING: 4674400 CPU: 14055.4, 0.00302219/step Wall: 14055.4, 0.00302219/step, 0.27334 hours remaining, 208.761719 MB of memory in use. ENERGY: 4674400 798.8757 2061.6488 1945.0691 105.4578 -207034.3381 18181.5469 0.0000 0.0000 34227.0622 -149714.6776 298.9134 -183941.7398 -149615.7181 297.4699 48.5562 85.6897 556571.1100 -7.6580 -7.7600 PRESSURE: 4674600 -1.96716 61.7108 31.4053 61.7112 232.708 208.406 31.4064 208.407 4.2869 GPRESSURE: 4674600 -12.4937 126.74 79.637 18.6725 282.232 121.057 70.6744 167.699 57.4555 PRESSAVG: 4674600 -11.1782 26.5928 29.6682 26.593 -10.7712 69.4294 29.6682 69.4292 -22.2096 GPRESSAVG: 4674600 -12.4468 29.8255 30.5565 23.0359 -10.0239 67.5659 29.2883 68.7732 -22.0223 TIMING: 4674600 CPU: 14056, 0.00305068/step Wall: 14056, 0.00305068/step, 0.275748 hours remaining, 208.761719 MB of memory in use. ENERGY: 4674600 769.0226 2035.6397 1935.1931 126.7452 -206973.4606 18134.4695 0.0000 0.0000 34354.5952 -149617.7953 300.0272 -183972.3905 -149519.5207 298.2568 78.3427 109.0646 556005.2185 -14.7197 -14.8310 PRESSURE: 4674800 -50.4629 66.4944 -238.017 66.4953 -316.367 227.359 -238.016 227.36 -147.16 GPRESSURE: 4674800 -46.0807 163.613 -231.99 98.9124 -284.14 242.914 -314.8 153.008 -80.1283 PRESSAVG: 4674800 -38.0569 18.8162 -33.7021 18.8162 27.9835 37.652 -33.7021 37.6519 -54.6604 GPRESSAVG: 4674800 -37.1697 18.637 -34.2292 19.5336 27.7821 38.4264 -33.2583 36.634 -54.9569 TIMING: 4674800 CPU: 14056.7, 0.00302211/step Wall: 14056.7, 0.00302211/step, 0.272997 hours remaining, 208.761719 MB of memory in use. ENERGY: 4674800 757.4000 2081.9601 1938.1059 102.2366 -206490.9543 17716.1501 0.0000 0.0000 34120.1431 -149774.9585 297.9797 -183895.1017 -149675.7571 298.3170 -171.3301 -136.7828 557083.3932 -21.5779 -21.4482 PRESSURE: 4675000 -81.8928 -90.2865 -1.57536 -90.2862 -211.297 -100.953 -1.57667 -100.953 1.36932 GPRESSURE: 4675000 -110.199 -89.9009 42.6103 -119.899 -183.581 -115.552 21.1115 4.0235 93.9132 PRESSAVG: 4675000 -13.5184 42.0085 -35.1028 42.0085 59.7677 -13.3117 -35.1029 -13.3115 12.6148 GPRESSAVG: 4675000 -12.855 42.2271 -34.4658 41.5345 59.0978 -14.8736 -34.5179 -10.6028 12.9066 TIMING: 4675000 CPU: 14057.3, 0.00304437/step Wall: 14057.3, 0.00304437/step, 0.274839 hours remaining, 208.761719 MB of memory in use. ENERGY: 4675000 730.5781 2034.2705 1951.5051 121.3695 -206419.8420 17769.1645 0.0000 0.0000 34015.0645 -149797.8898 297.0620 -183812.9542 -149701.3164 297.9945 -97.2733 -66.6221 555865.9661 19.6214 19.7164 PRESSURE: 4675200 -266.425 116.924 96.7303 116.924 168.271 57.6013 96.7303 57.6041 83.8869 GPRESSURE: 4675200 -213.852 48.8814 124.498 163.446 163.362 43.103 77.3464 19.1182 120.653 PRESSAVG: 4675200 -51.1619 4.24542 -35.9312 4.24538 25.674 -12.3197 -35.9312 -12.3196 -29.7237 GPRESSAVG: 4675200 -51.658 4.10499 -36.387 4.78909 26.0704 -10.77 -37.3884 -13.7285 -29.7753 TIMING: 4675200 CPU: 14057.9, 0.00304123/step Wall: 14057.9, 0.00304123/step, 0.274386 hours remaining, 208.761719 MB of memory in use. ENERGY: 4675200 729.2388 2091.5816 1939.6043 126.0885 -206610.1436 17953.2978 0.0000 0.0000 34062.6166 -149707.7160 297.4773 -183770.3327 -149616.4569 297.9278 -4.7555 23.3876 557380.4271 -18.4039 -18.4543 PRESSURE: 4675400 -74.2741 4.17649 137.02 4.17603 -128.298 52.4979 137.02 52.4966 -66.0939 GPRESSURE: 4675400 -9.21487 51.889 71.254 40.8391 -62.6983 -7.75802 80.0544 160.426 -88.9612 PRESSAVG: 4675400 -9.04251 -25.4545 48.2886 -25.4545 16.9348 15.7647 48.2886 15.7647 0.357018 GPRESSAVG: 4675400 -9.67557 -26.7913 46.3489 -24.7078 17.5531 14.2917 48.8123 15.7026 0.275739 TIMING: 4675400 CPU: 14058.5, 0.00303344/step Wall: 14058.5, 0.00303344/step, 0.273515 hours remaining, 208.761719 MB of memory in use. ENERGY: 4675400 751.5096 2143.0782 1949.8220 119.6700 -206133.6008 17709.3972 0.0000 0.0000 33862.4921 -149597.6317 295.7296 -183460.1237 -149502.1180 298.3868 -89.5554 -53.6248 557572.3185 2.7498 2.7178 PRESSURE: 4675600 -159.399 62.4681 195.697 62.4682 -154.66 -142.526 195.698 -142.526 -179.447 GPRESSURE: 4675600 -169.317 -38.9211 215.747 76.7709 -38.8953 -181.311 182.8 -56.3043 -183.148 PRESSAVG: 4675600 -36.7704 -8.41418 -3.52649 -8.41425 27.2304 -54.9426 -3.52643 -54.9427 76.3268 GPRESSAVG: 4675600 -36.1263 -7.43087 -2.97373 -8.54018 27.4727 -54.9717 -4.32805 -54.3503 75.3246 TIMING: 4675600 CPU: 14059.1, 0.00305867/step Wall: 14059.1, 0.00305867/step, 0.27562 hours remaining, 208.761719 MB of memory in use. ENERGY: 4675600 762.0414 2099.3100 1943.8743 121.4310 -206224.6981 17623.7493 0.0000 0.0000 34113.2387 -149561.0535 297.9194 -183674.2921 -149470.2396 298.1989 -164.5017 -130.4535 557634.9705 22.2623 22.2236 PRESSURE: 4675800 131.953 -41.3467 -64.9487 -41.3464 55.1393 165.499 -64.9475 165.5 -76.2785 GPRESSURE: 4675800 149.88 -56.1332 -12.6288 -55.2555 60.9197 58.7233 -58.6177 133.551 -6.32728 PRESSAVG: 4675800 38.5703 8.02043 15.94 8.02051 -45.4191 -36.7159 15.94 -36.7159 -23.6136 GPRESSAVG: 4675800 39.1888 8.72135 15.6229 5.70239 -47.4997 -35.2345 16.3422 -37.6591 -22.4176 TIMING: 4675800 CPU: 14059.7, 0.00305862/step Wall: 14059.7, 0.00305862/step, 0.275445 hours remaining, 208.761719 MB of memory in use. ENERGY: 4675800 764.0369 2100.8148 1958.4960 126.3045 -206640.0122 17895.2411 0.0000 0.0000 34149.1295 -149645.9893 298.2328 -183795.1188 -149548.9278 299.1643 36.9380 68.1574 556220.2710 -10.1541 -10.2428 PRESSURE: 4676000 -34.4345 127.179 -231.686 127.179 223.794 29.3698 -231.686 29.3703 182.292 GPRESSURE: 4676000 81.6946 67.0967 -277.61 6.88719 181.369 6.55038 -243.674 22.6177 214.855 PRESSAVG: 4676000 19.1312 37.3307 -0.0935984 37.3307 16.8966 56.0814 -0.0936185 56.0815 8.68764 GPRESSAVG: 4676000 19.2387 37.9149 1.75982 37.5871 18.5329 54.0219 0.507112 58.6347 6.97792 TIMING: 4676000 CPU: 14060.3, 0.00305554/step Wall: 14060.3, 0.00305554/step, 0.274999 hours remaining, 208.761719 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: 4676000 764.8503 2096.4373 1934.7879 122.7806 -206602.1103 18065.6476 0.0000 0.0000 34124.5526 -149493.0540 298.0182 -183617.6066 -149401.6155 298.4434 123.8837 159.3064 556895.6302 14.9052 14.9165 PRESSURE: 4676200 -67.4076 -202.196 -218.901 -202.197 -251.584 -94.5418 -218.9 -94.5425 -58.6105 GPRESSURE: 4676200 -40.3496 -221.251 -238.41 -212.066 -231.844 -112.169 -135.419 -59.8921 9.19976 PRESSAVG: 4676200 -40.6918 -21.0535 -1.42132 -21.0535 -19.1637 1.21314 -1.42127 1.21313 43.4702 GPRESSAVG: 4676200 -40.7094 -22.7457 -1.35722 -18.2013 -20.2312 5.0676 -2.09996 -0.937528 44.8963 TIMING: 4676200 CPU: 14060.9, 0.0030502/step Wall: 14060.9, 0.0030502/step, 0.274349 hours remaining, 208.761719 MB of memory in use. ENERGY: 4676200 744.2440 2093.9382 1950.7201 114.9056 -206248.8660 17667.5021 0.0000 0.0000 34068.3351 -149609.2209 297.5272 -183677.5561 -149515.5487 298.2201 -125.8673 -87.6645 558682.3934 -5.4618 -5.3481 LDB: ============= START OF LOAD BALANCING ============== 14064.4 LDB: ============== END OF LOAD BALANCING =============== 14064.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14064.4 LDB: ============= START OF LOAD BALANCING ============== 14064.7 LDB: Largest compute 4820 load 0.029635 is 25.1% of average load 0.118109 LDB: Average compute 0.001734 is 1.5% of average load 0.118109 LDB: TIME 14064.7 LOAD: AVG 0.118109 MAX 0.216821 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 14064.7 LOAD: AVG 0.118109 MAX 0.216821 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.082 MB LDB: TIME 14064.7 LOAD: AVG 0.118109 MAX 0.216821 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.082 MB LDB: ============== END OF LOAD BALANCING =============== 14064.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14064.7 PRESSURE: 4676400 165.467 10.2734 90.9014 10.2723 -226.802 -67.7203 90.9017 -67.7192 245.745 GPRESSURE: 4676400 166.292 7.45962 144.505 5.99805 -145.22 -154.399 102.184 -24.8501 267.165 PRESSAVG: 4676400 91.6471 -19.9809 8.10794 -19.9809 -86.7083 -33.4146 8.10796 -33.4145 2.22516 GPRESSAVG: 4676400 92.0004 -18.3627 6.61174 -20.856 -85.7493 -34.487 10.0971 -33.5738 1.35746 TIMING: 4676400 CPU: 14061.5, 0.00310376/step Wall: 14061.5, 0.00310376/step, 0.278993 hours remaining, 206.769531 MB of memory in use. ENERGY: 4676400 735.0520 2131.9202 1939.5275 117.9416 -206784.2329 18003.9190 0.0000 0.0000 34381.0208 -149474.8518 300.2580 -183855.8726 -149386.1890 298.5688 61.4700 96.0788 557933.7747 2.3880 2.5362 PRESSURE: 4676600 126.668 -57.2132 72.7931 -57.2127 91.9886 -16.8133 72.7941 -16.8143 406.927 GPRESSURE: 4676600 215.82 -84.9732 54.2492 19.8879 88.9643 -87.6596 34.9682 27.5866 415.154 PRESSAVG: 4676600 30.1227 -44.6618 19.0082 -44.6619 -31.6645 1.27321 19.0083 1.27328 27.8411 GPRESSAVG: 4676600 29.5878 -46.8755 20.4985 -43.3141 -32.5441 -0.152972 18.8834 0.995139 29.2493 TIMING: 4676600 CPU: 14062.2, 0.00304187/step Wall: 14062.2, 0.00304187/step, 0.273262 hours remaining, 206.769531 MB of memory in use. ENERGY: 4676600 704.3125 2051.4966 1983.3421 117.9594 -206335.8267 18098.3941 0.0000 0.0000 34105.1750 -149275.1470 297.8490 -183380.3220 -149181.9183 298.9433 208.5277 239.9796 557377.5870 8.7664 8.7643 PRESSURE: 4676800 -41.3347 -198.195 -13.316 -198.193 -102.946 56.0821 -13.3155 56.0834 205.132 GPRESSURE: 4676800 -35.1807 -166.45 10.3731 -220.177 -69.9396 53.6423 -69.6929 -2.86103 252.171 PRESSAVG: 4676800 62.3406 -34.23 40.7672 -34.23 -44.0226 1.60979 40.7672 1.60985 45.1863 GPRESSAVG: 4676800 63.0892 -32.9609 39.9283 -35.4208 -43.8441 3.81618 40.5559 3.01208 44.2414 TIMING: 4676800 CPU: 14062.8, 0.00307413/step Wall: 14062.8, 0.00307413/step, 0.275988 hours remaining, 206.769531 MB of memory in use. ENERGY: 4676800 730.1974 2104.5728 1963.3396 110.5479 -206193.1858 17801.1662 0.0000 0.0000 34308.0631 -149175.2989 299.6208 -183483.3620 -149078.2559 299.0157 20.2838 49.0168 558420.4646 21.1681 21.1621 PRESSURE: 4677000 -35.4163 -21.5816 5.41224 -21.5802 -43.4879 -87.71 5.41164 -87.7106 97.505 GPRESSURE: 4677000 -3.16911 47.3893 -5.43937 -72.4609 -9.02981 -75.1919 -79.1458 -148.194 127.229 PRESSAVG: 4677000 14.2125 -29.2387 32.7177 -29.2387 -4.8104 30.4751 32.7176 30.4751 3.10385 GPRESSAVG: 4677000 14.4814 -27.3278 32.5081 -30.0825 -5.13459 29.2469 31.2402 30.2483 2.9391 TIMING: 4677000 CPU: 14063.4, 0.00305746/step Wall: 14063.4, 0.00305746/step, 0.274322 hours remaining, 206.769531 MB of memory in use. ENERGY: 4677000 750.2685 2076.1494 1938.5534 110.4690 -206354.8692 17966.1597 0.0000 0.0000 34397.2184 -149116.0508 300.3995 -183513.2692 -149022.2394 299.4207 6.2003 38.3433 557369.6220 4.1686 4.0953 PRESSURE: 4677200 210.768 -32.0348 9.24353 -32.0364 -19.7855 92.1601 9.2442 92.1595 119.37 GPRESSURE: 4677200 247.829 18.3037 -24.2407 -115.71 12.3973 64.5492 29.8703 85.2963 140.573 PRESSAVG: 4677200 36.2963 0.899807 4.55971 0.899765 10.9655 38.9667 4.55971 38.9667 -23.7476 GPRESSAVG: 4677200 35.9006 -0.0580147 5.73819 1.14403 11.9154 38.748 6.86395 39.0978 -24.3154 TIMING: 4677200 CPU: 14064, 0.00303437/step Wall: 14064, 0.00303437/step, 0.272082 hours remaining, 206.769531 MB of memory in use. ENERGY: 4677200 740.0973 2046.8702 1916.7290 113.7820 -206407.0696 18122.0903 0.0000 0.0000 34399.2087 -149068.2920 300.4168 -183467.5007 -148968.4266 299.4674 103.4509 133.5998 559376.2060 7.8380 7.8336 PRESSURE: 4677400 -152.755 -17.7804 -2.95179 -17.7804 -68.97 -51.0288 -2.95156 -51.0292 -142.213 GPRESSURE: 4677400 -202.766 29.753 -51.6854 -26.814 -30.9461 -35.6114 11.4869 -122.071 -30.3318 PRESSAVG: 4677400 -35.2719 45.4762 99.8758 45.4764 30.0362 11.7643 99.8757 11.7642 -31.2048 GPRESSAVG: 4677400 -35.0565 45.5604 99.5756 43.7146 30.1928 10.7474 99.4864 11.6041 -32.0548 TIMING: 4677400 CPU: 14064.6, 0.00303039/step Wall: 14064.6, 0.00303039/step, 0.271557 hours remaining, 206.769531 MB of memory in use. ENERGY: 4677400 744.9811 2104.6470 1922.2652 112.1128 -205794.8088 17565.6312 0.0000 0.0000 34046.2564 -149298.9150 297.3344 -183345.1713 -149204.0902 299.0189 -121.3127 -88.0146 557840.5596 -12.1468 -12.3062 PRESSURE: 4677600 41.4631 -47.6583 71.4801 -47.6584 -158.809 68.5707 71.4812 68.5706 -58.4588 GPRESSURE: 4677600 86.259 -29.1183 95.3563 21.1422 -101.868 165.213 112.575 61.6956 -58.3478 PRESSAVG: 4677600 59.0199 -34.7376 34.3066 -34.7376 -13.272 63.3865 34.3066 63.3864 -51.5751 GPRESSAVG: 4677600 58.1236 -34.637 35.1974 -32.0436 -13.7137 64.128 33.7596 63.9089 -50.5052 TIMING: 4677600 CPU: 14065.2, 0.00304894/step Wall: 14065.2, 0.00304894/step, 0.27305 hours remaining, 206.769531 MB of memory in use. ENERGY: 4677600 741.3315 2144.6807 1936.1469 118.5618 -206385.1234 17758.6237 0.0000 0.0000 34460.1854 -149225.5935 300.9494 -183685.7789 -149129.0491 298.7396 -58.6016 -24.6522 556897.5965 -1.9424 -2.0317 PRESSURE: 4677800 -152.451 -112.778 101.355 -112.779 95.3659 -12.1575 101.356 -12.1566 14.1695 GPRESSURE: 4677800 -72.0179 -48.1656 9.99438 -94.0541 127.911 24.6384 169.052 8.43504 -10.6914 PRESSAVG: 4677800 0.334504 52.3566 29.5635 52.3565 122.218 8.38722 29.5634 8.38733 -113.535 GPRESSAVG: 4677800 0.694314 52.7358 28.5741 53.0097 121.751 9.51262 30.3735 7.50881 -113.673 TIMING: 4677800 CPU: 14065.8, 0.0030221/step Wall: 14065.8, 0.0030221/step, 0.270478 hours remaining, 206.769531 MB of memory in use. ENERGY: 4677800 763.0964 2028.3711 1906.9294 114.6450 -206263.7325 18024.3728 0.0000 0.0000 34309.5378 -149116.7800 299.6337 -183426.3178 -149019.8937 299.3723 -14.3053 15.0671 558132.4787 3.0056 2.9240 PRESSURE: 4678000 -471.046 -94.4744 41.9511 -94.4748 -66.6289 -24.755 41.951 -24.7524 -182.865 GPRESSURE: 4678000 -382.487 -124.513 -44.747 -75.89 -86.511 68.236 79.1228 -48.6911 -166.664 PRESSAVG: 4678000 0.1712 49.3713 5.87967 49.3714 35.9874 -16.2524 5.8796 -16.2525 -16.7924 GPRESSAVG: 4678000 -0.216388 47.3674 5.74396 50.4943 36.5818 -17.7814 4.98911 -16.0227 -17.3033 TIMING: 4678000 CPU: 14066.4, 0.0030224/step Wall: 14066.4, 0.0030224/step, 0.270337 hours remaining, 206.769531 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: 4678000 793.7502 2111.8471 1936.5811 101.6771 -206049.0096 17490.6638 0.0000 0.0000 34328.0206 -149286.4697 299.7951 -183614.4903 -149188.2920 299.1433 -240.1801 -211.8874 558595.3325 6.4554 6.3540 PRESSURE: 4678200 13.1506 -27.2847 -35.2889 -27.2852 -112.667 -39.5529 -35.2898 -39.5514 -87.3402 GPRESSURE: 4678200 29.6391 -18.5481 -9.05276 -7.58608 -74.3533 4.02196 6.72382 -68.8416 -42.3307 PRESSAVG: 4678200 -19.4438 -9.22687 -23.3146 -9.22685 41.7834 -2.77004 -23.3147 -2.77005 -41.8787 GPRESSAVG: 4678200 -19.4251 -7.93983 -23.9991 -12.2529 41.1442 -2.12826 -21.3458 -1.65187 -40.9423 TIMING: 4678200 CPU: 14067, 0.0030256/step Wall: 14067, 0.0030256/step, 0.270455 hours remaining, 206.769531 MB of memory in use. ENERGY: 4678200 762.1703 2123.9130 1943.2567 122.3918 -206477.5594 17813.0175 0.0000 0.0000 34127.7689 -149585.0411 298.0463 -183712.8100 -149494.3170 298.5791 -62.2855 -29.0150 557331.6400 -6.5130 -6.4077 PRESSURE: 4678400 -195.002 -88.6374 -65.7331 -88.6363 -226.907 118.61 -65.7323 118.611 -258.707 GPRESSURE: 4678400 -191.881 -160.056 -60.6001 -6.097 -217.378 79.5072 -100.877 23.9631 -159.797 PRESSAVG: 4678400 14.5046 -2.87396 -45.5921 -2.87399 -9.33374 7.19833 -45.592 7.1984 -32.0443 GPRESSAVG: 4678400 13.9853 -4.02253 -46.1928 -2.2508 -8.99124 8.70114 -47.4623 4.07698 -31.3977 TIMING: 4678400 CPU: 14067.6, 0.00304695/step Wall: 14067.6, 0.00304695/step, 0.272194 hours remaining, 206.769531 MB of memory in use. ENERGY: 4678400 735.7424 2105.1463 1941.8318 111.8177 -206213.5925 17693.0827 0.0000 0.0000 34201.7229 -149424.2486 298.6922 -183625.9715 -149327.0071 297.7892 -226.8719 -189.6855 557901.6402 -8.9578 -8.8012 PRESSURE: 4678600 -46.8091 42.1736 -3.6679 42.1724 14.8215 -127.991 -3.66632 -127.993 263.012 GPRESSURE: 4678600 -39.2927 42.1955 59.3004 61.2572 81.5025 -74.5981 -8.36723 -62.3296 284.676 PRESSAVG: 4678600 -43.6136 -88.7468 -1.13182 -88.7468 37.2942 -2.83621 -1.13186 -2.83625 20.4412 GPRESSAVG: 4678600 -43.6043 -86.8365 -0.00176633 -89.2284 38.5134 -4.19184 -1.08058 0.88577 19.2625 TIMING: 4678600 CPU: 14068.2, 0.00305105/step Wall: 14068.2, 0.00305105/step, 0.272391 hours remaining, 206.769531 MB of memory in use. ENERGY: 4678600 781.4799 2079.3216 1979.3052 116.6165 -206561.6262 18030.6421 0.0000 0.0000 34202.6411 -149371.6197 298.7002 -183574.2609 -149275.3040 299.2891 77.0083 108.9620 556458.6474 4.7073 4.7239 PRESSURE: 4678800 230.316 63.2348 47.043 63.236 57.835 202.971 47.0424 202.972 426.28 GPRESSURE: 4678800 254.017 27.7449 15.3915 64.8407 106.296 260.312 57.9136 153.883 452.147 PRESSAVG: 4678800 -31.9247 -8.98685 18.4547 -8.98682 20.6519 65.4401 18.4547 65.4401 55.9911 GPRESSAVG: 4678800 -30.8092 -9.71168 18.1757 -9.24483 19.6012 65.9491 18.2634 64.5627 56.232 TIMING: 4678800 CPU: 14068.8, 0.00304057/step Wall: 14068.8, 0.00304057/step, 0.271286 hours remaining, 206.769531 MB of memory in use. ENERGY: 4678800 714.0228 2099.6170 1957.6875 109.0166 -206236.9849 18153.3325 0.0000 0.0000 33871.6963 -149331.6123 295.8099 -183203.3086 -149237.6587 299.3141 238.1436 270.8196 556801.1064 14.9061 15.0080 PRESSURE: 4679000 86.5735 -184.366 -46.4912 -184.367 84.5453 117.411 -46.4905 117.41 -4.26687 GPRESSURE: 4679000 229.018 -262.082 -28.7136 -252.069 107.591 97.9888 -20.0633 65.5088 -66.325 PRESSAVG: 4679000 67.8151 4.38087 -28.7179 4.38089 -71.3317 41.2029 -28.7179 41.2029 11.2968 GPRESSAVG: 4679000 67.4354 5.82752 -28.5496 3.87788 -71.1956 39.7485 -29.1875 42.3831 11.2693 TIMING: 4679000 CPU: 14069.5, 0.00305993/step Wall: 14069.5, 0.00305993/step, 0.272844 hours remaining, 206.769531 MB of memory in use. ENERGY: 4679000 728.2254 2078.4826 1917.0315 111.5112 -206157.5835 17788.2538 0.0000 0.0000 34218.8221 -149315.2571 298.8415 -183534.0791 -149224.4278 298.6091 55.6173 90.0946 558399.8491 2.5934 2.5031 PRESSURE: 4679200 156.481 -57.2548 144.363 -57.2547 441.12 -120.952 144.362 -120.952 212.701 GPRESSURE: 4679200 213.582 31.0974 59.6782 -93.5425 447.008 -57.5392 210.77 -78.2561 253.191 PRESSAVG: 4679200 86.4517 -22.6619 -5.74181 -22.6619 18.3892 52.2008 -5.74178 52.201 -67.5372 GPRESSAVG: 4679200 86.5364 -22.014 -6.85137 -23.2109 18.6071 52.3813 -4.38775 51.0251 -67.7503 TIMING: 4679200 CPU: 14070.1, 0.00305999/step Wall: 14070.1, 0.00305999/step, 0.272679 hours remaining, 206.769531 MB of memory in use. ENERGY: 4679200 733.9098 2093.9428 1945.6103 109.8946 -206821.1066 18269.2425 0.0000 0.0000 34428.6949 -149239.8118 300.6744 -183668.5067 -149139.9759 299.4362 270.1006 304.5936 557615.8080 12.4346 12.4644 PRESSURE: 4679400 -89.1448 -19.4844 136.059 -19.4846 89.3839 96.8061 136.059 96.8069 -173.053 GPRESSURE: 4679400 -63.9346 -40.2894 56.7132 38.2954 76.5 104.491 117.751 29.6082 -95.3867 PRESSAVG: 4679400 16.9556 -51.3632 -1.71922 -51.3631 14.5109 11.061 -1.7193 11.0609 -24.2132 GPRESSAVG: 4679400 16.2077 -56.6042 -0.995103 -47.07 14.1271 11.9922 -2.78792 11.9536 -23.3106 TIMING: 4679400 CPU: 14070.7, 0.00303959/step Wall: 14070.7, 0.00303959/step, 0.270693 hours remaining, 206.769531 MB of memory in use. ENERGY: 4679400 704.9673 2119.5225 1956.3812 119.8123 -205888.9499 17498.6063 0.0000 0.0000 34278.7870 -149210.8734 299.3652 -183489.6604 -149121.4094 298.7774 -57.6045 -27.6071 558095.8369 2.4177 2.3414 PRESSURE: 4679600 -305.029 21.9477 23.7205 21.9463 -128.786 -130.966 23.721 -130.967 -35.1889 GPRESSURE: 4679600 -205.648 13.1676 33.9646 -38.2512 -54.2624 -52.1976 -25.9553 -137.334 -102.583 PRESSAVG: 4679600 97.0325 18.2952 15.2975 18.2952 -57.3757 -17.3856 15.2976 -17.3856 17.5984 GPRESSAVG: 4679600 97.6009 21.6799 17.379 16.9209 -56.6084 -18.0438 14.0884 -18.0487 16.5168 TIMING: 4679600 CPU: 14071.3, 0.00303593/step Wall: 14071.3, 0.00303593/step, 0.270198 hours remaining, 206.769531 MB of memory in use. ENERGY: 4679600 713.8835 2026.5690 1947.9241 120.7167 -206133.5168 17614.8560 0.0000 0.0000 34422.7867 -149286.7807 300.6228 -183709.5674 -149192.1960 298.8987 -156.3349 -120.8310 557009.5596 19.0851 19.1698 PRESSURE: 4679800 278.522 18.1324 -6.64853 18.1323 208.045 -170.179 -6.64778 -170.18 244.561 GPRESSURE: 4679800 330.184 50.5779 -121.601 -4.99578 199.357 -75.6445 -2.2849 -171.438 284.044 PRESSAVG: 4679800 -29.9706 34.8528 29.6306 34.8528 22.8719 1.90417 29.6306 1.90403 58.0233 GPRESSAVG: 4679800 -29.4752 35.7151 26.2793 35.5039 22.6812 3.10697 32.304 2.80792 58.042 TIMING: 4679800 CPU: 14071.9, 0.00302214/step Wall: 14071.9, 0.00302214/step, 0.268802 hours remaining, 206.769531 MB of memory in use. ENERGY: 4679800 761.3100 2106.2211 1951.8815 114.9849 -206740.5664 18125.1370 0.0000 0.0000 34464.5995 -149216.4325 300.9879 -183681.0319 -149114.0133 298.8227 243.7095 271.1950 555920.9268 16.9748 17.0827 PRESSURE: 4680000 14.018 -101.058 -175.486 -101.058 -47.1818 -48.4786 -175.486 -48.478 -161.531 GPRESSURE: 4680000 11.8971 -171.353 -205.579 -92.4414 -16.9845 -69.9252 -87.1819 -77.1803 -82.2668 PRESSAVG: 4680000 55.9936 -7.51859 15.0404 -7.5186 35.2728 -12.7895 15.0403 -12.7895 -64.1298 GPRESSAVG: 4680000 56.0395 -8.92839 16.0286 -9.58893 34.6464 -13.752 13.9427 -13.1451 -63.0795 TIMING: 4680000 CPU: 14072.5, 0.00304738/step Wall: 14072.5, 0.00304738/step, 0.270878 hours remaining, 206.769531 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: 4680000 750.9451 2094.2462 1939.7047 112.8988 -206330.6929 17822.7287 0.0000 0.0000 34360.8873 -149249.2820 300.0822 -183610.1693 -149158.0015 298.8578 -64.8981 -29.1181 556359.8679 9.0455 9.2021 PRESSURE: 4680200 92.9894 165.595 -138.41 165.594 9.95649 -29.4987 -138.41 -29.4994 -142.045 GPRESSURE: 4680200 117.614 83.4752 -214.016 145.403 18.6349 -7.88229 -110.252 -10.6864 -83.5839 PRESSAVG: 4680200 -11.8513 -9.26909 32.713 -9.26898 36.9952 -15.7093 32.713 -15.7092 1.48812 GPRESSAVG: 4680200 -11.2144 -6.65152 33.7884 -10.3508 37.1843 -14.302 33.3692 -17.3106 -0.187999 TIMING: 4680200 CPU: 14073.1, 0.00304939/step Wall: 14073.1, 0.00304939/step, 0.270887 hours remaining, 206.769531 MB of memory in use. ENERGY: 4680200 720.8785 2107.6789 1950.2067 119.7957 -206102.8900 17667.4570 0.0000 0.0000 34257.5610 -149279.3122 299.1798 -183536.8733 -149187.0550 299.4726 -13.0331 17.5551 556684.9004 8.8774 8.5939 LDB: ============= START OF LOAD BALANCING ============== 14076.5 LDB: ============== END OF LOAD BALANCING =============== 14076.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14076.5 LDB: ============= START OF LOAD BALANCING ============== 14076.8 LDB: Largest compute 4820 load 0.030173 is 25.5% of average load 0.118097 LDB: Average compute 0.001735 is 1.5% of average load 0.118097 LDB: TIME 14076.9 LOAD: AVG 0.118097 MAX 0.213697 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.281 MB LDB: TIME 14076.9 LOAD: AVG 0.118097 MAX 0.213697 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: TIME 14076.9 LOAD: AVG 0.118097 MAX 0.213697 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.484 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14076.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14076.9 PRESSURE: 4680400 -180.044 15.1188 -216.75 15.119 71.4999 74.4739 -216.75 74.4734 -52.7301 GPRESSURE: 4680400 -155.211 167.097 -242.513 -68.2453 92.7223 43.685 -254.684 143.675 -7.35414 PRESSAVG: 4680400 -25.7613 34.0178 6.91216 34.0178 51.6194 -39.6826 6.91212 -39.6827 -10.3299 GPRESSAVG: 4680400 -26.8637 32.5111 7.37368 35.8084 51.2559 -40.7956 6.26697 -37.586 -8.71768 TIMING: 4680400 CPU: 14073.7, 0.00311653/step Wall: 14073.7, 0.00311653/step, 0.276679 hours remaining, 208.312500 MB of memory in use. ENERGY: 4680400 740.5582 2104.9861 1935.3698 103.5636 -206310.8633 17773.2776 0.0000 0.0000 34264.3301 -149388.7780 299.2389 -183653.1081 -149286.1950 299.3516 -53.7581 -23.2811 557298.9113 5.1761 5.2248 PRESSURE: 4680600 -132.81 21.8942 -59.0505 21.8939 -343.665 -52.2526 -59.0508 -52.2508 23.5587 GPRESSURE: 4680600 -42.4685 46.6997 -98.3753 -2.92781 -312.494 -53.1858 -40.1734 -83.7452 4.13482 PRESSAVG: 4680600 48.988 4.88384 2.32519 4.88386 -22.2857 3.95543 2.32521 3.95546 20.8875 GPRESSAVG: 4680600 47.9065 4.94265 0.923758 3.42238 -21.1974 4.79066 3.2167 4.57283 20.5279 TIMING: 4680600 CPU: 14074.3, 0.00305393/step Wall: 14074.3, 0.00305393/step, 0.270951 hours remaining, 208.312500 MB of memory in use. ENERGY: 4680600 730.9991 2071.3933 1952.4817 118.9798 -206103.3684 17531.4148 0.0000 0.0000 34204.6356 -149493.4641 298.7176 -183698.0997 -149400.7213 299.2211 -150.9720 -116.9425 556862.1332 15.8632 15.7457 PRESSURE: 4680800 -148.855 -53.5273 108.569 -53.5282 -149.041 -108.394 108.568 -108.394 58.8258 GPRESSURE: 4680800 -163.445 -0.591254 73.402 -142.992 -135.323 -117.256 94.7799 -117.279 147.772 PRESSAVG: 4680800 42.7208 62.2001 -23.7007 62.2001 28.379 -11.8682 -23.7007 -11.8682 -64.0775 GPRESSAVG: 4680800 42.0339 62.8543 -21.7991 61.8543 28.2947 -10.7874 -25.0713 -13.8622 -62.895 TIMING: 4680800 CPU: 14074.9, 0.00303707/step Wall: 14074.9, 0.00303707/step, 0.269287 hours remaining, 208.312500 MB of memory in use. ENERGY: 4680800 746.6284 2043.9133 1945.3903 115.5552 -206127.8996 17730.3173 0.0000 0.0000 34084.9286 -149461.1664 297.6722 -183546.0950 -149359.7717 297.8942 -79.6902 -50.3320 558006.3653 2.3408 2.4779 PRESSURE: 4681000 104.915 -21.6893 157.795 -21.6897 -228.067 -68.677 157.793 -68.6764 16.7363 GPRESSURE: 4681000 114.163 -25.097 127.245 -29.296 -158.028 -69.6345 129.11 23.6906 34.897 PRESSAVG: 4681000 28.2531 -14.874 -23.8565 -14.874 3.62123 -2.78289 -23.8565 -2.78293 -30.3706 GPRESSAVG: 4681000 29.4863 -14.5357 -25.3027 -17.021 3.70367 -4.71117 -23.8263 -1.90206 -31.5801 TIMING: 4681000 CPU: 14075.6, 0.00306102/step Wall: 14075.6, 0.00306102/step, 0.27124 hours remaining, 208.312500 MB of memory in use. ENERGY: 4681000 729.9899 2080.5272 1960.3990 120.0811 -206525.0563 17913.1419 0.0000 0.0000 34299.7294 -149421.1879 299.5481 -183720.9172 -149332.7887 298.8451 -35.4719 -2.9892 558319.4786 0.5013 0.5366 PRESSURE: 4681200 63.6363 -173.357 -12.4396 -173.356 -59.9777 -49.5653 -12.4386 -49.5639 6.6808 GPRESSURE: 4681200 89.9959 -142.608 42.4384 -148.676 -27.1819 -61.3465 65.3035 4.5089 39.7302 PRESSAVG: 4681200 -25.4139 -2.26802 22.0232 -2.26793 5.92334 -15.4517 22.0231 -15.4515 -0.0778426 GPRESSAVG: 4681200 -25.5365 -3.77246 22.3995 0.698518 5.97613 -14.0413 22.64 -18.1436 -0.191263 TIMING: 4681200 CPU: 14076.2, 0.00302616/step Wall: 14076.2, 0.00302616/step, 0.267983 hours remaining, 208.312500 MB of memory in use. ENERGY: 4681200 752.2129 2123.6573 1938.1631 98.1759 -206507.6045 18018.5440 0.0000 0.0000 34199.1798 -149377.6715 298.6699 -183576.8513 -149285.8072 299.0873 3.4465 34.1814 557626.0149 -6.5228 -6.5839 PRESSURE: 4681400 122.088 -178.58 56.5982 -178.58 -37.7565 -115.043 56.5992 -115.044 70.7107 GPRESSURE: 4681400 160.518 -231.108 -39.0545 -132.634 -29.1988 -81.5135 73.6386 -128.315 119.625 PRESSAVG: 4681400 55.9451 0.752098 13.0312 0.752213 3.13289 -22.4915 13.0312 -22.4914 -9.14407 GPRESSAVG: 4681400 56.1125 1.89364 14.3339 -0.462515 2.1804 -24.8452 13.6334 -19.1024 -8.62383 TIMING: 4681400 CPU: 14076.8, 0.00304558/step Wall: 14076.8, 0.00304558/step, 0.269534 hours remaining, 208.312500 MB of memory in use. ENERGY: 4681400 715.4291 2076.5648 1917.2483 114.3154 -206284.7423 17775.4212 0.0000 0.0000 34360.7583 -149325.0051 300.0810 -183685.7635 -149217.5561 299.0486 51.6806 83.6480 556724.9658 16.6446 16.5564 PRESSURE: 4681600 -20.139 57.9748 14.0431 57.9769 -221.667 135.703 14.0423 135.701 -303.645 GPRESSURE: 4681600 16.1366 13.4144 -28.9618 45.733 -177.801 122.329 60.0574 183.909 -275.868 PRESSAVG: 4681600 86.1513 12.2752 -0.251638 12.2753 -5.00842 24.9888 -0.251677 24.9887 -39.7764 GPRESSAVG: 4681600 84.9512 10.1686 0.0958894 13.4099 -3.44379 28.6281 -2.9427 22.5993 -39.8445 TIMING: 4681600 CPU: 14077.4, 0.00304816/step Wall: 14077.4, 0.00304816/step, 0.269593 hours remaining, 208.312500 MB of memory in use. ENERGY: 4681600 747.1805 2042.1409 1942.1242 106.4011 -206103.5369 17565.4367 0.0000 0.0000 34225.4772 -149474.7763 298.8996 -183700.2535 -149383.2014 298.9812 -181.8170 -145.8442 557115.9602 13.7888 13.8876 PRESSURE: 4681800 20.0471 -282.412 -19.7702 -282.411 -125.071 8.67578 -19.7706 8.67664 -58.0061 GPRESSURE: 4681800 1.10674 -260.081 -73.8411 -283.229 -121.334 114.424 36.9001 -33.4385 48.1459 PRESSAVG: 4681800 17.6836 -4.77725 -1.73557 -4.7772 6.3023 -9.26535 -1.73558 -9.2652 33.2392 GPRESSAVG: 4681800 19.6047 -2.37899 -1.59983 -4.91504 5.38235 -10.6011 0.259717 -8.5774 32.3 TIMING: 4681800 CPU: 14078, 0.00304941/step Wall: 14078, 0.00304941/step, 0.269534 hours remaining, 208.312500 MB of memory in use. ENERGY: 4681800 770.2006 2098.3509 1921.0870 111.1327 -206276.8076 17714.2924 0.0000 0.0000 34103.4236 -149558.3204 297.8337 -183661.7439 -149469.9521 299.3256 -54.3433 -24.0272 557435.7268 19.0750 19.0957 PRESSURE: 4682000 -154.148 -54.1185 -7.43386 -54.118 116.373 -243.734 -7.43403 -243.732 322.11 GPRESSURE: 4682000 -170.792 -35.0934 -109.27 -33.8862 184.313 -214.515 29.6953 -295.339 376.85 PRESSAVG: 4682000 40.9285 -10.9952 -43.0009 -10.9953 -18.6721 -2.11281 -43.0009 -2.11275 -44.9935 GPRESSAVG: 4682000 40.4569 -11.9078 -43.9409 -9.81961 -18.1411 -2.52156 -42.3512 -1.28031 -44.7607 TIMING: 4682000 CPU: 14078.6, 0.00305469/step Wall: 14078.6, 0.00305469/step, 0.269831 hours remaining, 208.312500 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: 4682000 739.5451 2102.9904 1942.2678 109.8790 -206477.6435 17941.6123 0.0000 0.0000 34200.9122 -149440.4368 298.6851 -183641.3490 -149338.3292 298.8432 94.7783 130.1239 557141.2063 -7.5790 -7.4816 PRESSURE: 4682200 114.926 6.46615 160.312 6.46642 121.212 167.711 160.311 167.711 -29.4962 GPRESSURE: 4682200 149.923 62.7697 208.778 -23.8027 132.658 63.6452 242.181 123.485 23.8999 PRESSAVG: 4682200 -51.1229 -4.42445 -8.88031 -4.42445 34.5569 -10.7039 -8.88034 -10.7038 25.2877 GPRESSAVG: 4682200 -50.7201 -4.03264 -6.92581 -5.04728 33.9036 -11.1517 -8.09742 -11.0313 25.7985 TIMING: 4682200 CPU: 14079.2, 0.003026/step Wall: 14079.2, 0.003026/step, 0.267128 hours remaining, 208.312500 MB of memory in use. ENERGY: 4682200 713.8613 2086.8730 1978.9184 119.1424 -206178.2785 17914.7521 0.0000 0.0000 33986.0506 -149378.6806 296.8086 -183364.7312 -149286.2483 298.7134 68.8807 102.1604 559329.9578 2.9072 2.9940 PRESSURE: 4682400 2.27924 55.4202 7.36464 55.4214 -141.814 -9.75551 7.36509 -9.75705 -135.849 GPRESSURE: 4682400 -17.8104 7.90236 62.3988 50.8403 -61.4557 -46.1284 -56.8904 -34.4612 -89.6386 PRESSAVG: 4682400 21.0579 37.9939 23.2021 37.9939 -9.55015 -2.70556 23.2022 -2.70559 10.7597 GPRESSAVG: 4682400 21.4308 38.2809 21.192 37.9935 -9.18379 -2.22503 23.812 -4.08981 10.8221 TIMING: 4682400 CPU: 14079.8, 0.00306235/step Wall: 14079.8, 0.00306235/step, 0.270167 hours remaining, 208.312500 MB of memory in use. ENERGY: 4682400 751.9222 2100.8005 1971.8400 119.0695 -205816.3503 17514.1427 0.0000 0.0000 34215.6812 -149142.8942 298.8141 -183358.5754 -149045.2625 298.9744 -91.7946 -56.3016 557773.2307 7.4225 7.6897 PRESSURE: 4682600 -103.858 162.915 -132.063 162.915 38.6155 -0.270948 -132.063 -0.272057 271.25 GPRESSURE: 4682600 -105.874 123.848 -18.2247 147.872 200.425 -26.5615 -155.113 44.4618 215.225 PRESSAVG: 4682600 -16.7448 71.9639 -13.2964 71.9638 29.9961 -27.4135 -13.2964 -27.4134 -19.753 GPRESSAVG: 4682600 -18.9879 70.9782 -13.0302 72.997 31.7403 -25.8237 -15.2143 -25.597 -20.555 TIMING: 4682600 CPU: 14080.4, 0.0030574/step Wall: 14080.4, 0.0030574/step, 0.269561 hours remaining, 208.312500 MB of memory in use. ENERGY: 4682600 767.6902 2069.7711 1970.9434 117.2368 -206223.6418 17952.0830 0.0000 0.0000 34160.9856 -149184.9316 298.3364 -183345.9172 -149078.3685 299.4512 68.6691 103.2587 555998.9297 -2.1672 -2.6009 PRESSURE: 4682800 28.4799 233.708 14.5045 233.709 -64.8807 -70.5543 14.5037 -70.5519 -119.345 GPRESSURE: 4682800 7.64599 169.405 -32.6244 214.42 6.3509 -66.3782 60.4207 -54.0352 -63.9765 PRESSAVG: 4682800 -36.4626 54.9901 -41.0899 54.99 4.15071 -7.49568 -41.09 -7.49557 -11.9069 GPRESSAVG: 4682800 -34.7086 53.9966 -40.0597 55.828 2.31674 -8.75414 -42.8467 -9.11991 -11.222 TIMING: 4682800 CPU: 14081, 0.00303758/step Wall: 14081, 0.00303758/step, 0.267645 hours remaining, 208.312500 MB of memory in use. ENERGY: 4682800 722.9706 2072.6098 1937.7874 119.3550 -206273.8672 17773.6487 0.0000 0.0000 34380.8719 -149266.6237 300.2567 -183647.4956 -149168.0429 299.0892 -51.9154 -16.6599 557864.7600 -14.7396 -14.5379 PRESSURE: 4683000 74.0299 -0.0536536 -109.913 -0.053526 47.2621 122.73 -109.913 122.73 -111.751 GPRESSURE: 4683000 84.1319 34.5541 -122.05 -37.3524 107.506 136.703 -171.552 128.713 -76.2783 PRESSAVG: 4683000 -21.0605 72.7557 -10.5513 72.7557 22.105 15.4193 -10.5513 15.4194 13.8312 GPRESSAVG: 4683000 -21.0998 73.9342 -12.1207 71.3962 21.8926 13.9952 -8.72492 16.3704 14.1688 TIMING: 4683000 CPU: 14081.6, 0.00303623/step Wall: 14081.6, 0.00303623/step, 0.267357 hours remaining, 208.312500 MB of memory in use. ENERGY: 4683000 711.0495 2030.4748 1923.8832 135.3420 -206296.2952 17865.4606 0.0000 0.0000 34345.5667 -149284.5183 299.9484 -183630.0850 -149194.3926 298.9366 3.1802 38.4534 557928.0187 4.9586 4.9872 PRESSURE: 4683200 243.101 91.3659 35.675 91.3663 432.297 -49.2807 35.6763 -49.2811 -240.165 GPRESSURE: 4683200 303.836 176.536 66.6075 86.0733 487.636 35.4142 21.7341 -85.1433 -253.78 PRESSAVG: 4683200 70.2146 74.4481 -26.5013 74.4482 59.1077 -71.1613 -26.5013 -71.1612 -96.1868 GPRESSAVG: 4683200 67.7745 75.0318 -27.393 76.2616 60.0481 -68.4556 -24.7136 -73.0107 -95.0061 TIMING: 4683200 CPU: 14082.3, 0.00305306/step Wall: 14082.3, 0.00305306/step, 0.26867 hours remaining, 208.312500 MB of memory in use. ENERGY: 4683200 738.6599 2075.7999 1939.2464 114.3519 -206362.7883 18132.7393 0.0000 0.0000 34043.0514 -149318.9395 297.3064 -183361.9909 -149222.6954 299.1804 145.0776 179.2307 556936.8293 11.0452 10.9388 PRESSURE: 4683400 -65.6475 -97.8111 -97.4661 -97.81 188.446 -131.64 -97.4661 -131.64 290.888 GPRESSURE: 4683400 -18.3311 -23.4565 -40.077 -203.542 186.344 -147.945 -136.455 -150.461 342.414 PRESSAVG: 4683400 -31.2606 2.83007 56.1413 2.83 33.6066 4.30569 56.1413 4.30559 41.0852 GPRESSAVG: 4683400 -29.8555 3.92937 58.1432 1.42084 33.7781 0.571856 55.3453 5.70322 39.089 TIMING: 4683400 CPU: 14082.9, 0.00308413/step Wall: 14082.9, 0.00308413/step, 0.271232 hours remaining, 208.312500 MB of memory in use. ENERGY: 4683400 755.3655 2074.1539 1938.3966 98.3640 -206352.3513 18144.5269 0.0000 0.0000 34087.0548 -149254.4897 297.6907 -183341.5445 -149156.5307 298.5385 137.8957 170.1422 556976.1510 14.4770 14.3372 PRESSURE: 4683600 -201.63 36.2348 -24.6231 36.2352 149.22 -102.734 -24.6231 -102.734 -139.835 GPRESSURE: 4683600 -135.82 98.9208 -62.7865 23.5935 165.394 -90.6751 60.4083 -57.7342 -121.587 PRESSAVG: 4683600 -17.7556 6.58633 21.0847 6.58629 -0.294623 -7.96884 21.0846 -7.96886 21.1006 GPRESSAVG: 4683600 -17.2816 1.25839 20.5394 8.9444 -1.50563 -4.82381 20.3481 -8.91197 21.6098 TIMING: 4683600 CPU: 14083.5, 0.00308299/step Wall: 14083.5, 0.00308299/step, 0.27096 hours remaining, 208.312500 MB of memory in use. ENERGY: 4683600 755.4682 2055.5726 1961.5942 123.6041 -206467.1702 17899.9085 0.0000 0.0000 34407.5423 -149263.4804 300.4896 -183671.0227 -149165.7765 298.7293 -64.0817 -30.6709 556113.1723 1.0168 0.9409 PRESSURE: 4683800 -62.4882 -11.6485 177.048 -11.6479 -366.749 64.0346 177.048 64.0342 -222.187 GPRESSURE: 4683800 -92.2763 -43.6679 63.3643 -16.8418 -270.514 71.8884 244.745 97.4461 -190.086 PRESSAVG: 4683800 25.2748 -48.005 16.961 -48.0049 -64.6648 -17.7062 16.961 -17.7062 46.5058 GPRESSAVG: 4683800 24.9792 -44.3474 17.6064 -53.5551 -64.4863 -19.7648 16.473 -16.1649 46.7398 TIMING: 4683800 CPU: 14084.1, 0.00304386/step Wall: 14084.1, 0.00304386/step, 0.267352 hours remaining, 208.312500 MB of memory in use. ENERGY: 4683800 753.8825 2071.0815 1952.2225 117.0425 -206299.5860 17769.1934 0.0000 0.0000 34113.5182 -149522.6453 297.9218 -183636.1635 -149426.5436 298.7908 -217.1412 -184.2920 557200.6125 2.3719 2.4109 PRESSURE: 4684000 -55.1064 89.7524 51.3416 89.7512 157.108 -66.5285 51.3419 -66.5289 -54.0148 GPRESSURE: 4684000 -52.8826 127.705 -8.24916 62.3613 164.326 1.73345 -14.5425 -250.099 20.051 PRESSAVG: 4684000 59.7581 21.4861 11.6578 21.486 -3.16987 13.5037 11.6579 13.5036 -35.4664 GPRESSAVG: 4684000 59.7699 21.0733 10.938 22.9617 -2.52263 13.8601 10.8769 12.4214 -35.6736 TIMING: 4684000 CPU: 14084.7, 0.00306962/step Wall: 14084.7, 0.00306962/step, 0.269444 hours remaining, 208.312500 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: 4684000 767.6457 2151.8972 1934.0253 121.6767 -206378.5174 17888.4417 0.0000 0.0000 34218.3269 -149296.5039 298.8372 -183514.8308 -149199.5128 298.5836 15.9956 43.8315 557157.2074 7.0406 7.1912 PRESSURE: 4684200 -143.406 -107.854 -45.3501 -107.854 27.9894 -119.955 -45.3519 -119.954 75.2169 GPRESSURE: 4684200 -69.6279 -167.789 81.1206 -43.791 -5.35146 -49.7241 -122.797 -111.717 129.813 PRESSAVG: 4684200 -39.3662 22.5668 -8.72537 22.5668 36.8292 -11.1919 -8.72537 -11.1919 19.1331 GPRESSAVG: 4684200 -39.1536 22.9594 -9.99277 22.5666 36.5993 -12.4426 -7.53008 -9.36628 19.1172 TIMING: 4684200 CPU: 14085.3, 0.00305105/step Wall: 14085.3, 0.00305105/step, 0.267645 hours remaining, 208.312500 MB of memory in use. ENERGY: 4684200 766.2197 2082.5918 1956.7023 117.8821 -206167.2182 17748.6320 0.0000 0.0000 34291.1214 -149204.0689 299.4729 -183495.1903 -149105.0571 299.2209 -13.3999 18.2779 557280.0654 5.5320 5.5210 LDB: ============= START OF LOAD BALANCING ============== 14088.8 LDB: ============== END OF LOAD BALANCING =============== 14088.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14088.8 LDB: ============= START OF LOAD BALANCING ============== 14089.1 LDB: Largest compute 4820 load 0.029728 is 25.2% of average load 0.118157 LDB: Average compute 0.001738 is 1.5% of average load 0.118157 LDB: TIME 14089.1 LOAD: AVG 0.118157 MAX 0.218156 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.617 MB LDB: TIME 14089.1 LOAD: AVG 0.118157 MAX 0.218156 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.625 MB LDB: TIME 14089.1 LOAD: AVG 0.118157 MAX 0.218156 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.625 MB LDB: ============== END OF LOAD BALANCING =============== 14089.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14089.1 PRESSURE: 4684400 -72.294 -16.7171 -53.2434 -16.7175 46.8748 45.2523 -53.2429 45.253 -104.302 GPRESSURE: 4684400 -33.5714 31.409 -181.458 13.3983 76.5128 -39.1462 -9.45604 75.4072 -75.5759 PRESSAVG: 4684400 3.5313 12.4481 24.7054 12.4481 71.4961 -9.407 24.7054 -9.40704 -7.2055 GPRESSAVG: 4684400 4.01371 11.0624 23.7329 14.6213 71.7425 -6.54969 25.7894 -11.6749 -7.40455 TIMING: 4684400 CPU: 14085.9, 0.00311914/step Wall: 14085.9, 0.00311914/step, 0.273444 hours remaining, 208.679688 MB of memory in use. ENERGY: 4684400 749.6570 2108.4049 1941.5544 116.8022 -206734.3268 17979.1722 0.0000 0.0000 34441.6607 -149397.0753 300.7876 -183838.7361 -149293.9824 299.9651 -43.2404 -10.8782 558999.0921 22.6073 22.7839 PRESSURE: 4684600 202.309 278.649 -189.467 278.649 256.919 -32.9239 -189.469 -32.9235 -100.457 GPRESSURE: 4684600 194.22 216.391 -128.503 220.895 281.054 -35.4797 -165.822 16.36 -22.1624 PRESSAVG: 4684600 42.3047 22.8772 9.51467 22.8772 20.4537 -16.6185 9.51466 -16.6186 -58.8382 GPRESSAVG: 4684600 42.6573 25.9465 11.2659 22.2939 20.3428 -19.2351 7.85979 -14.0929 -59.1046 TIMING: 4684600 CPU: 14086.6, 0.00306667/step Wall: 14086.6, 0.00306667/step, 0.268675 hours remaining, 208.679688 MB of memory in use. ENERGY: 4684600 706.8493 2095.3823 1972.5640 114.3571 -206699.8384 18067.0671 0.0000 0.0000 34134.2049 -149609.4139 298.1025 -183743.6187 -149512.0760 298.8520 119.5903 151.0374 556072.5661 1.3068 1.2985 PRESSURE: 4684800 -28.4866 84.0737 106.297 84.0739 14.6344 -16.8468 106.297 -16.8461 -144.142 GPRESSURE: 4684800 -30.5043 31.7822 163.472 84.4317 68.3621 -32.4482 48.5635 -43.3565 -94.8192 PRESSAVG: 4684800 21.4153 57.6833 -19.818 57.6834 -24.8876 12.9265 -19.8181 12.9264 2.81878 GPRESSAVG: 4684800 20.5968 57.9846 -16.8335 56.8189 -23.3796 14.687 -20.9375 11.4827 2.67704 TIMING: 4684800 CPU: 14087.2, 0.0030421/step Wall: 14087.2, 0.0030421/step, 0.266353 hours remaining, 208.679688 MB of memory in use. ENERGY: 4684800 731.5998 2111.0310 1913.6681 112.6549 -206555.0073 17928.3296 0.0000 0.0000 34141.6839 -149616.0399 298.1678 -183757.7239 -149523.3364 298.7434 -52.6648 -18.9871 557964.4804 -0.2178 -0.0353 PRESSURE: 4685000 -182.886 90.43 2.94744 90.4293 46.1931 -10.2083 2.94722 -10.2072 -61.1957 GPRESSURE: 4685000 -135.481 82.1539 -54.7246 27.1639 33.8768 39.879 83.2589 -75.0985 -4.1784 PRESSAVG: 4685000 17.4144 42.5082 71.2919 42.5082 -16.4002 -40.8382 71.2919 -40.8381 18.007 GPRESSAVG: 4685000 17.4077 39.1944 69.0826 43.1706 -16.8964 -39.4227 71.2023 -43.0484 18.5254 TIMING: 4685000 CPU: 14087.8, 0.00303586/step Wall: 14087.8, 0.00303586/step, 0.265638 hours remaining, 208.679688 MB of memory in use. ENERGY: 4685000 733.4354 2051.2928 1943.8177 122.5810 -206180.6669 17601.6701 0.0000 0.0000 34138.5785 -149589.2914 298.1407 -183727.8699 -149490.6498 298.3265 -65.9627 -35.2609 556775.9982 6.3404 6.3455 PRESSURE: 4685200 -239.528 192.729 80.7424 192.73 201.273 6.78677 80.7433 6.78648 128.371 GPRESSURE: 4685200 -166.758 125.97 68.8589 161.382 150.018 6.53739 28.9414 -14.2179 216.725 PRESSAVG: 4685200 -64.3965 -9.84611 49.6796 -9.84606 -21.9668 -25.1137 49.6797 -25.1137 49.7524 GPRESSAVG: 4685200 -63.9946 -7.38497 50.2676 -10.6864 -22.8628 -26.9997 51.1105 -24.769 50.1265 TIMING: 4685200 CPU: 14088.4, 0.00306828/step Wall: 14088.4, 0.00306828/step, 0.268304 hours remaining, 208.679688 MB of memory in use. ENERGY: 4685200 763.7766 2058.4079 1925.0619 105.6202 -206401.6455 17880.8177 0.0000 0.0000 34036.7395 -149631.2216 297.2513 -183667.9611 -149535.8305 298.2906 30.0384 66.6619 556326.9140 -12.2036 -12.2436 PRESSURE: 4685400 -71.4895 60.8838 -35.177 60.8832 -97.3937 27.5103 -35.1766 27.511 -192.276 GPRESSURE: 4685400 -87.4494 16.8757 -42.0083 116.45 -74.6634 73.0357 71.3113 -39.2536 -94.7418 PRESSAVG: 4685400 33.2736 28.1051 23.5979 28.1051 -36.1957 -57.2303 23.598 -57.2303 12.9585 GPRESSAVG: 4685400 32.8564 27.8023 22.9394 28.7725 -35.5699 -56.7601 24.9317 -56.3267 12.9615 TIMING: 4685400 CPU: 14089, 0.00307492/step Wall: 14089, 0.00307492/step, 0.268714 hours remaining, 208.679688 MB of memory in use. ENERGY: 4685400 735.9603 2110.9803 1932.0778 102.3125 -206516.5135 17763.0000 0.0000 0.0000 34044.1924 -149827.9903 297.3164 -183872.1827 -149732.6868 298.1724 -120.3865 -85.6182 557644.5337 3.3455 3.4160 PRESSURE: 4685600 -178.983 -55.8871 52.6493 -55.8869 -186.181 96.7666 52.6492 96.7679 -11.6037 GPRESSURE: 4685600 -192.17 -107.653 -38.3233 -20.679 -108.729 33.7474 111.997 99.1641 24.8081 PRESSAVG: 4685600 -7.44733 16.7093 11.2005 16.7093 -6.87656 -5.21296 11.2005 -5.21279 31.6475 GPRESSAVG: 4685600 -8.46845 18.0214 10.9756 15.6793 -5.86344 -3.49859 9.00579 -6.20819 31.7041 TIMING: 4685600 CPU: 14089.6, 0.00310497/step Wall: 14089.6, 0.00310497/step, 0.271168 hours remaining, 208.679688 MB of memory in use. ENERGY: 4685600 750.4430 2055.8470 1926.6735 106.9076 -206651.4485 17906.2643 0.0000 0.0000 34189.7847 -149715.5283 298.5879 -183905.3130 -149618.6105 297.5575 -125.5893 -92.0304 558130.7260 5.7745 5.7907 PRESSURE: 4685800 -18.4659 153.474 180.349 153.474 -6.56426 67.3672 180.35 67.3678 9.09619 GPRESSURE: 4685800 -24.0135 151.358 155.756 170.327 18.5854 50.0402 192.45 157.118 93.6095 PRESSAVG: 4685800 -14.753 45.2165 -18.6792 45.2166 -8.98362 -30.7784 -18.6791 -30.7784 -20.3734 GPRESSAVG: 4685800 -14.2719 44.0438 -16.936 44.311 -9.63488 -32.1085 -16.8399 -28.8172 -20.0689 TIMING: 4685800 CPU: 14090.2, 0.00310667/step Wall: 14090.2, 0.00310667/step, 0.271143 hours remaining, 208.679688 MB of memory in use. ENERGY: 4685800 730.4326 2127.9839 1953.7496 105.5548 -206773.0706 18035.2404 0.0000 0.0000 34087.8367 -149732.2726 297.6976 -183820.1093 -149637.6483 297.9130 -5.3113 29.3938 557255.7398 -14.7034 -14.6586 PRESSURE: 4686000 -367.646 8.82782 147.862 8.82727 38.3811 -114.61 147.862 -114.609 -308.668 GPRESSURE: 4686000 -278.895 71.0084 69.6106 6.72244 28.9922 -168.855 133.729 -33.9115 -291.947 PRESSAVG: 4686000 -52.8238 49.6135 40.7638 49.6135 4.82605 70.4925 40.7638 70.4926 28.2102 GPRESSAVG: 4686000 -52.5081 49.7445 39.7207 51.9642 4.4072 71.6123 39.663 67.5086 29.0818 TIMING: 4686000 CPU: 14090.9, 0.00306993/step Wall: 14090.9, 0.00306993/step, 0.267766 hours remaining, 208.679688 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: 4686000 745.5699 2138.7957 1951.0918 101.4569 -206263.2683 17553.4874 0.0000 0.0000 33968.2527 -149804.6141 296.6532 -183772.8667 -149703.5553 297.4827 -212.6445 -180.6166 556232.6585 -6.5958 -6.3397 PRESSURE: 4686200 -57.7886 122.07 -27.7397 122.07 252.64 -8.2636 -27.7379 -8.26282 25.3071 GPRESSURE: 4686200 16.0777 64.1119 -18.0321 116.576 261.835 45.2841 3.57358 -68.5028 39.0495 PRESSAVG: 4686200 -15.6928 37.1009 44.8344 37.1009 39.1055 29.5068 44.8345 29.5067 -25.3526 GPRESSAVG: 4686200 -15.8565 36.6147 44.5474 36.647 39.4503 27.6608 45.9883 32.2888 -25.53 TIMING: 4686200 CPU: 14091.5, 0.00306337/step Wall: 14091.5, 0.00306337/step, 0.267024 hours remaining, 208.679688 MB of memory in use. ENERGY: 4686200 765.4977 2105.7799 1954.0613 108.0169 -206485.0207 17978.3853 0.0000 0.0000 33992.3903 -149580.8893 296.8640 -183573.2797 -149490.0433 297.6527 73.3861 105.6541 557309.2905 -0.6466 -0.6454 PRESSURE: 4686400 401.34 -63.0257 10.0589 -63.0257 419.225 34.9113 10.0595 34.9103 270.341 GPRESSURE: 4686400 381.732 -63.793 -0.702212 -13.8786 512.446 8.05847 26.176 78.912 294.524 PRESSAVG: 4686400 -40.6597 18.4397 27.6179 18.4398 61.9869 1.03776 27.6179 1.03778 -25.4932 GPRESSAVG: 4686400 -40.1636 17.4969 28.2415 19.0534 61.7312 0.502916 27.2425 1.85347 -25.9213 TIMING: 4686400 CPU: 14092.1, 0.00303629/step Wall: 14092.1, 0.00303629/step, 0.264494 hours remaining, 208.679688 MB of memory in use. ENERGY: 4686400 670.1377 2154.1923 1957.0855 122.9070 -206866.5083 18382.7669 0.0000 0.0000 34146.3761 -149433.0428 298.2088 -183579.4189 -149334.3103 298.2603 363.6355 396.2338 555679.6573 -1.3886 -1.4512 PRESSURE: 4686600 13.0832 96.3779 71.4237 96.378 -262.003 145.499 71.424 145.499 77.2898 GPRESSURE: 4686600 57.5214 92.62 42.5595 45.8108 -247.69 84.0111 98.4681 160.948 98.3769 PRESSAVG: 4686600 37.3871 15.0241 -38.0925 15.024 0.614431 -33.965 -38.0925 -33.965 27.1774 GPRESSAVG: 4686600 37.6184 13.6655 -38.0255 14.5429 0.563469 -33.3715 -36.9451 -35.8268 26.8028 TIMING: 4686600 CPU: 14092.7, 0.00306251/step Wall: 14092.7, 0.00306251/step, 0.266608 hours remaining, 208.679688 MB of memory in use. ENERGY: 4686600 751.0247 2138.4836 1922.2795 122.4895 -206139.8922 17683.9144 0.0000 0.0000 34227.7756 -149293.9249 298.9197 -183521.7006 -149199.6537 299.0948 -57.2101 -30.5972 555445.0871 21.7263 21.6615 PRESSURE: 4686800 -22.7421 -117.953 -78.3642 -117.953 -102.207 -28.9546 -78.3642 -28.9566 2.56805 GPRESSURE: 4686800 30.2221 -77.0956 -43.2519 -121.716 -103.238 1.04805 -84.4108 -96.3178 45.7073 PRESSAVG: 4686800 4.82413 3.76243 23.8481 3.76245 -33.3091 32.7638 23.8481 32.7639 -6.97346 GPRESSAVG: 4686800 4.00248 7.12282 23.8708 1.81138 -31.9261 32.8542 20.8513 33.0637 -7.73421 TIMING: 4686800 CPU: 14093.3, 0.00306616/step Wall: 14093.3, 0.00306616/step, 0.266756 hours remaining, 208.679688 MB of memory in use. ENERGY: 4686800 766.2646 2079.7649 1905.2019 125.6928 -206157.6531 17709.9033 0.0000 0.0000 34267.0772 -149303.7483 299.2629 -183570.8256 -149197.7557 299.2602 -40.7936 -9.1028 557274.5599 -11.8195 -11.8860 PRESSURE: 4687000 -241.352 -42.3628 -79.1085 -42.3634 -102.284 -28.1823 -79.1083 -28.1821 -175.914 GPRESSURE: 4687000 -203.656 33.5603 -91.5456 -69.4561 -46.3652 -10.9892 -99.7692 -86.9129 -172.361 PRESSAVG: 4687000 30.5237 -30.0603 3.35656 -30.0604 -31.6468 11.4434 3.35656 11.4434 24.4228 GPRESSAVG: 4687000 30.4125 -32.2382 1.26803 -29.7056 -32.5375 10.6458 6.98559 12.2881 25.3999 TIMING: 4687000 CPU: 14093.9, 0.00307738/step Wall: 14093.9, 0.00307738/step, 0.267561 hours remaining, 208.679688 MB of memory in use. ENERGY: 4687000 787.9753 2109.3054 1898.3415 114.1495 -205788.6586 17478.9459 0.0000 0.0000 33886.3744 -149513.5665 295.9381 -183399.9409 -149422.0312 298.5478 -173.1837 -140.7939 557392.2484 7.7666 7.7583 PRESSURE: 4687200 -145.283 -104.524 -11.7306 -104.524 71.9503 -95.8806 -11.7317 -95.8802 -187.456 GPRESSURE: 4687200 -85.2586 -149.675 45.677 -116.332 60.4626 -59.1027 -157.466 -132.318 -125.371 PRESSAVG: 4687200 24.3384 -35.5936 8.02932 -35.5938 -21.2356 -51.5681 8.02922 -51.5682 -16.711 GPRESSAVG: 4687200 24.869 -35.5562 9.70653 -33.6305 -21.4896 -50.0363 6.39699 -53.2554 -16.5164 TIMING: 4687200 CPU: 14094.5, 0.00306703/step Wall: 14094.5, 0.00306703/step, 0.266491 hours remaining, 208.679688 MB of memory in use. ENERGY: 4687200 743.0596 2102.0370 1939.4485 116.1877 -205953.1127 17615.4566 0.0000 0.0000 34081.3683 -149355.5551 297.6411 -183436.9233 -149260.3656 298.4674 -86.9296 -50.0558 556339.2821 -4.5361 -4.3790 PRESSURE: 4687400 -261.416 13.3735 -154.95 13.3725 -210.043 -55.9718 -154.95 -55.9704 0.238465 GPRESSURE: 4687400 -193.058 59.6696 -91.08 25.8544 -234.17 13.8449 -159.611 -74.1967 48.2828 PRESSAVG: 4687400 -30.6755 -3.28875 -80.2886 -3.28874 38.4854 -21.2324 -80.2886 -21.2324 0.150311 GPRESSAVG: 4687400 -32.0221 -3.4503 -80.6985 -2.52013 38.462 -22.6602 -80.3583 -19.9915 1.4312 TIMING: 4687400 CPU: 14095.1, 0.00305949/step Wall: 14095.1, 0.00305949/step, 0.265666 hours remaining, 208.679688 MB of memory in use. ENERGY: 4687400 747.2751 2129.2715 1944.7768 114.1462 -205884.4505 17598.3010 0.0000 0.0000 34112.4712 -149238.2087 297.9127 -183350.6799 -149148.5579 298.7308 -157.0736 -126.3151 558322.1098 2.6534 2.6237 PRESSURE: 4687600 205.271 -157.663 -43.5926 -157.663 208.25 -131.554 -43.5933 -131.555 8.36736 GPRESSURE: 4687600 299.098 -114.317 -111.476 -126.318 192.362 -149.475 -36.2602 -171.367 27.7583 PRESSAVG: 4687600 -4.77286 15.2096 25.1909 15.2097 64.7292 -6.37449 25.1908 -6.37447 -77.515 GPRESSAVG: 4687600 -2.82436 16.7681 25.2912 12.7072 64.1962 -6.10039 26.644 -7.44111 -78.9929 TIMING: 4687600 CPU: 14095.8, 0.00306576/step Wall: 14095.8, 0.00306575/step, 0.266039 hours remaining, 208.679688 MB of memory in use. ENERGY: 4687600 731.2020 2108.9457 1966.0792 109.8954 -206387.2014 17967.9789 0.0000 0.0000 34330.6940 -149172.4061 299.8185 -183503.1001 -149071.6565 299.2728 140.6296 173.0730 557162.4420 -5.8529 -5.8737 PRESSURE: 4687800 -89.3824 98.8974 -165.751 98.899 70.8108 -38.1632 -165.752 -38.1634 -64.2282 GPRESSURE: 4687800 -39.8853 102.057 -139.31 116.418 88.3511 58.7392 -109.049 -93.7106 -30.0608 PRESSAVG: 4687800 35.0194 -30.7321 52.4567 -30.732 42.4272 12.4828 52.4566 12.4828 -38.5608 GPRESSAVG: 4687800 34.1695 -31.1761 52.2971 -30.7227 42.0912 13.8038 50.6267 12.6461 -37.32 TIMING: 4687800 CPU: 14096.4, 0.00304321/step Wall: 14096.4, 0.00304321/step, 0.263914 hours remaining, 208.679688 MB of memory in use. ENERGY: 4687800 746.4810 2140.2835 1965.1739 120.6301 -206430.2001 17925.2846 0.0000 0.0000 34111.7898 -149420.5573 297.9067 -183532.3470 -149328.1563 299.4966 -27.5999 6.1350 556655.1852 12.9619 12.9802 PRESSURE: 4688000 -14.5457 66.3233 81.8137 66.3221 -129.554 105.249 81.8134 105.25 176.179 GPRESSURE: 4688000 -3.27881 81.3646 178.613 83.3001 -82.8939 157.559 -13.7749 44.635 213.784 PRESSAVG: 4688000 30.7853 7.69925 14.6796 7.69923 -22.9214 -31.7995 14.6796 -31.7995 -10.7033 GPRESSAVG: 4688000 31.4291 7.88184 15.5447 6.58369 -22.243 -32.3281 14.9707 -33.1681 -11.8488 TIMING: 4688000 CPU: 14097, 0.00305726/step Wall: 14097, 0.00305726/step, 0.264963 hours remaining, 208.679688 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: 4688000 735.1004 2094.6913 1948.1781 109.5971 -206524.8106 18039.1105 0.0000 0.0000 34185.1737 -149412.9595 298.5476 -183598.1332 -149310.9287 298.9212 10.6933 42.5370 557972.4345 -0.9465 -0.8876 PRESSURE: 4688200 -16.9818 123.959 70.9942 123.96 61.219 89.9552 70.993 89.9552 83.9824 GPRESSURE: 4688200 31.6069 129.455 30.3075 122.198 128.453 84.9589 104.477 71.5951 66.4906 PRESSAVG: 4688200 20.2498 54.2479 10.2332 54.2478 -47.4738 -20.7824 10.2332 -20.7823 -15.5829 GPRESSAVG: 4688200 20.2433 54.4179 7.16116 56.1958 -48.4885 -20.6182 12.5595 -18.5489 -15.2342 TIMING: 4688200 CPU: 14097.6, 0.0030725/step Wall: 14097.6, 0.0030725/step, 0.266112 hours remaining, 208.679688 MB of memory in use. ENERGY: 4688200 756.9595 2069.4045 1935.7932 115.7728 -206378.9434 17805.1627 0.0000 0.0000 34187.9914 -149507.8592 298.5722 -183695.8506 -149411.1538 298.4423 42.7399 75.5167 557412.8143 -14.2690 -14.4931 LDB: ============= START OF LOAD BALANCING ============== 14101 LDB: ============== END OF LOAD BALANCING =============== 14101 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14101 LDB: ============= START OF LOAD BALANCING ============== 14101.3 LDB: Largest compute 4820 load 0.029871 is 25.3% of average load 0.118141 LDB: Average compute 0.001741 is 1.5% of average load 0.118141 LDB: TIME 14101.3 LOAD: AVG 0.118141 MAX 0.218012 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.641 MB LDB: TIME 14101.3 LOAD: AVG 0.118141 MAX 0.218012 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.703 MB LDB: TIME 14101.3 LOAD: AVG 0.118141 MAX 0.218012 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.703 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14101.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14101.3 PRESSURE: 4688400 256.685 28.2648 -148.077 28.2652 314.099 -51.1386 -148.078 -51.1373 391.913 GPRESSURE: 4688400 296.748 -20.4796 -155.056 65.8654 352.187 -111.431 -185.416 -56.9764 391.21 PRESSAVG: 4688400 -18.4746 8.32787 18.2404 8.32788 -33.647 -1.91328 18.2404 -1.9132 65.6373 GPRESSAVG: 4688400 -18.3662 6.88778 20.0674 8.61356 -34.1036 -5.1947 19.1215 -0.123093 65.9317 TIMING: 4688400 CPU: 14098.2, 0.00312314/step Wall: 14098.2, 0.00312314/step, 0.270325 hours remaining, 206.875000 MB of memory in use. ENERGY: 4688400 730.1580 2133.2424 1939.9440 112.1873 -206918.6364 18261.2359 0.0000 0.0000 34192.4872 -149549.3815 298.6115 -183741.8688 -149452.1209 298.1231 320.8990 346.7148 554325.9309 4.5052 4.4873 PRESSURE: 4688600 12.8741 -76.5425 11.213 -76.5434 114.594 -40.9679 11.2122 -40.9664 -166.777 GPRESSURE: 4688600 38.5249 -81.293 -21.8379 -105.413 143.13 -42.0307 83.6234 -120.242 -114.31 PRESSAVG: 4688600 38.6009 -65.2549 -24.2522 -65.2549 -61.1364 -25.9448 -24.2522 -25.9447 7.81951 GPRESSAVG: 4688600 37.3328 -65.542 -23.1746 -64.844 -60.3664 -23.6575 -26.7241 -28.4412 8.24221 TIMING: 4688600 CPU: 14098.8, 0.00305877/step Wall: 14098.8, 0.00305877/step, 0.264584 hours remaining, 207.078125 MB of memory in use. ENERGY: 4688600 734.6377 2073.1663 1938.9338 109.8734 -206571.5329 17706.4868 0.0000 0.0000 34318.2116 -149690.2233 299.7095 -184008.4349 -149587.5555 298.4979 -13.1028 22.4483 555407.7940 -4.9053 -4.9305 PRESSURE: 4688800 -168.362 -23.4468 -125.505 -23.4477 -127.92 -117.287 -125.505 -117.289 -198.872 GPRESSURE: 4688800 -145.512 12.0573 -122.42 60.2558 -112.905 -137.03 -185.199 -106.095 -154.249 PRESSAVG: 4688800 2.28901 -78.0906 17.9222 -78.0906 15.9558 -39.1063 17.922 -39.1062 -30.5269 GPRESSAVG: 4688800 2.15384 -74.9308 18.7204 -78.4293 16.0459 -39.171 15.9224 -38.6298 -31.3235 TIMING: 4688800 CPU: 14099.4, 0.00306319/step Wall: 14099.4, 0.00306319/step, 0.264796 hours remaining, 207.078125 MB of memory in use. ENERGY: 4688800 785.9752 2099.2991 1931.7254 109.5363 -206156.5251 17559.5934 0.0000 0.0000 34080.3454 -149590.0504 297.6321 -183670.3957 -149491.6796 298.3842 -165.0513 -137.5551 556298.4199 -4.0940 -4.3746 PRESSURE: 4689000 25.5703 -6.08461 -61.5856 -6.08448 -66.2088 -31.5042 -61.5857 -31.5022 -97.6859 GPRESSURE: 4689000 73.4344 -28.599 42.2345 -24.9405 -42.1917 -57.0354 -97.7 22.2503 -71.9446 PRESSAVG: 4689000 40.4108 21.868 40.9591 21.868 64.1741 23.7814 40.9591 23.7814 -84.6497 GPRESSAVG: 4689000 40.6887 19.5391 39.7413 21.669 64.1688 24.4328 43.5579 24.3481 -85.022 TIMING: 4689000 CPU: 14100.1, 0.00302741/step Wall: 14100.1, 0.00302741/step, 0.261534 hours remaining, 207.078125 MB of memory in use. ENERGY: 4689000 738.2024 2106.5563 1921.7012 122.9805 -206372.3198 17827.3138 0.0000 0.0000 34123.3371 -149532.2284 298.0076 -183655.5655 -149425.2715 297.6277 -46.1081 -13.5673 557818.4949 6.6451 6.6118 PRESSURE: 4689200 -45.7145 53.7989 65.8623 53.798 -196.562 -127.493 65.8625 -127.495 -255.676 GPRESSURE: 4689200 -14.897 163.427 73.5509 3.46226 -193.639 -153.058 -23.9566 -61.0276 -199.639 PRESSAVG: 4689200 45.7015 -1.31672 10.3896 -1.31672 -6.24433 14.8132 10.3895 14.8133 -48.9945 GPRESSAVG: 4689200 45.9646 -0.180093 10.8208 -3.12565 -6.35473 13.0494 10.263 13.6368 -48.1821 TIMING: 4689200 CPU: 14100.7, 0.00303166/step Wall: 14100.7, 0.00303166/step, 0.261734 hours remaining, 207.078125 MB of memory in use. ENERGY: 4689200 751.1570 2092.9409 1947.9300 132.9132 -206481.2850 17709.9184 0.0000 0.0000 34363.7554 -149482.6701 300.1072 -183846.4255 -149376.3626 298.7583 -165.9842 -136.0584 558025.9420 -3.1791 -2.8574 PRESSURE: 4689400 318.413 125.378 4.17897 125.379 129.146 -6.30368 4.17813 -6.30393 99.6706 GPRESSURE: 4689400 319.064 165.93 43.4681 142.367 166.943 -73.8531 -29.0995 47.2947 164.817 PRESSAVG: 4689400 110.697 7.81262 71.1243 7.81264 -49.084 13.7824 71.1242 13.7824 -34.9024 GPRESSAVG: 4689400 110.892 4.34206 70.9651 10.5449 -49.9563 14.6963 70.1739 14.1465 -34.5799 TIMING: 4689400 CPU: 14101.3, 0.00306521/step Wall: 14101.3, 0.00306521/step, 0.264459 hours remaining, 207.078125 MB of memory in use. ENERGY: 4689400 745.5486 2084.1001 1961.9704 119.4135 -206324.2817 18054.3877 0.0000 0.0000 34136.9487 -149221.9127 298.1265 -183358.8614 -149131.4742 298.9132 182.4099 216.9412 556809.9280 8.9036 8.7853 PRESSURE: 4689600 16.0997 -92.9231 64.3134 -92.9211 -105.227 32.5323 64.3127 32.5327 -145.312 GPRESSURE: 4689600 92.7579 -34.2604 -91.3269 -42.7825 -147.553 62.6258 62.9847 -9.92248 -85.5719 PRESSAVG: 4689600 57.6381 71.9458 -0.63913 71.9458 0.962796 -14.877 -0.639119 -14.8769 -21.789 GPRESSAVG: 4689600 58.067 75.5888 0.135699 69.5529 0.687342 -13.1285 -1.22397 -16.375 -22.2718 TIMING: 4689600 CPU: 14101.9, 0.00306981/step Wall: 14101.9, 0.00306981/step, 0.264686 hours remaining, 207.078125 MB of memory in use. ENERGY: 4689600 713.4038 2092.5548 1934.9182 111.5854 -205936.0740 17617.7915 0.0000 0.0000 34291.6857 -149174.1347 299.4778 -183465.8203 -149076.3288 299.5038 -78.1465 -46.7890 558406.9226 12.2706 12.1608 PRESSURE: 4689800 139.377 155.882 166.34 155.883 65.999 23.3875 166.34 23.3865 352.987 GPRESSURE: 4689800 176.639 179.372 226.402 193.962 123.566 22.2689 80.7521 -62.6725 365.514 PRESSAVG: 4689800 39.948 58.7495 34.3162 58.7495 6.99102 -12.5254 34.3162 -12.5254 13.2667 GPRESSAVG: 4689800 40.8426 58.8118 33.3001 58.9533 8.35494 -14.366 35.1876 -10.9248 11.4612 TIMING: 4689800 CPU: 14102.5, 0.00307778/step Wall: 14102.5, 0.00307778/step, 0.265202 hours remaining, 207.078125 MB of memory in use. ENERGY: 4689800 740.9134 2075.2941 1955.8284 117.8289 -206687.4760 18161.4038 0.0000 0.0000 34278.1272 -149358.0803 299.3594 -183636.2075 -149255.1439 298.5840 186.1210 221.9063 556694.0087 20.0686 20.2196 PRESSURE: 4690000 142.961 69.0235 85.7429 69.0244 -300.892 61.1193 85.7422 61.1189 -301.796 GPRESSURE: 4690000 140.575 17.4627 53.7887 47.0342 -257.609 15.5668 134.225 88.3591 -252.272 PRESSAVG: 4690000 51.8162 -2.40961 13.1309 -2.40966 6.29402 -20.027 13.1309 -20.0271 -12.0101 GPRESSAVG: 4690000 52.5732 -2.98975 13.067 -4.38825 5.53042 -18.6705 13.9883 -19.32 -12.3378 TIMING: 4690000 CPU: 14103.1, 0.00302702/step Wall: 14103.1, 0.00302702/step, 0.26066 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: 4690000 764.0765 2084.4436 1962.1075 110.6924 -205864.2031 17588.2688 0.0000 0.0000 34259.0171 -149095.5972 299.1925 -183354.6143 -148996.3389 299.2892 -153.2423 -123.1019 557482.6177 15.3667 15.2553 PRESSURE: 4690200 -31.5968 -26.2207 -68.3078 -26.2201 -70.4827 -35.16 -68.3074 -35.1602 -101.196 GPRESSURE: 4690200 28.9342 -75.1302 -72.8809 -72.3178 5.45756 23.9858 -7.60923 -0.857512 -123.886 PRESSAVG: 4690200 12.7691 -17.4828 -4.22582 -17.4829 -2.80212 -29.0751 -4.22576 -29.0749 -16.2148 GPRESSAVG: 4690200 10.8951 -19.4525 -3.82239 -15.2048 -2.31697 -30.6245 -2.62471 -28.3285 -15.1242 TIMING: 4690200 CPU: 14103.7, 0.00303444/step Wall: 14103.7, 0.00303444/step, 0.261131 hours remaining, 207.078125 MB of memory in use. ENERGY: 4690200 777.0053 2066.3244 1951.1919 108.3404 -205961.3876 17738.6917 0.0000 0.0000 34330.3219 -148989.5121 299.8152 -183319.8339 -148896.1449 299.5509 -67.7586 -29.8315 557976.8595 -2.0826 -2.1820 PRESSURE: 4690400 62.2736 -36.0313 -259.85 -36.0309 -121.301 -133.393 -259.849 -133.394 122.433 GPRESSURE: 4690400 44.0288 54.1924 -252.308 -109.623 -24.409 -71.427 -258.113 -239.734 137.144 PRESSAVG: 4690400 37.4369 -45.8384 -22.1682 -45.8383 -52.6863 -16.5941 -22.1682 -16.594 25.9939 GPRESSAVG: 4690400 36.8266 -43.5753 -22.1337 -45.6305 -52.6724 -16.5305 -22.8506 -19.8822 27.0173 TIMING: 4690400 CPU: 14104.3, 0.00303746/step Wall: 14104.3, 0.00303746/step, 0.261221 hours remaining, 207.078125 MB of memory in use. ENERGY: 4690400 744.0894 2041.6779 1959.9846 105.3455 -206098.9603 17731.0526 0.0000 0.0000 34313.4037 -149203.4065 299.6675 -183516.8102 -149112.1950 299.9542 21.1353 52.2545 556544.8644 3.5815 3.7238 PRESSURE: 4690600 -177.074 -187.646 43.3677 -187.646 -171.408 5.88365 43.3665 5.88195 115.241 GPRESSURE: 4690600 -105.207 -147.898 46.4808 -218.916 -160.982 76.0715 119.843 -116.681 116.332 PRESSAVG: 4690600 -39.6352 -66.0029 -40.9351 -66.0029 -57.4049 -50.5211 -40.9352 -50.5212 68.0723 GPRESSAVG: 4690600 -38.5326 -64.871 -43.5269 -68.1393 -56.5804 -49.1948 -40.5864 -50.6366 65.6447 TIMING: 4690600 CPU: 14104.9, 0.00306973/step Wall: 14104.9, 0.00306973/step, 0.263826 hours remaining, 207.078125 MB of memory in use. ENERGY: 4690600 751.7657 2053.7590 1934.5430 106.6098 -205890.7926 17676.2132 0.0000 0.0000 34039.7431 -149328.1589 297.2775 -183367.9020 -149231.5345 298.9927 -77.7471 -49.9520 556481.1140 -9.6559 -9.8228 PRESSURE: 4690800 -176.67 -49.6597 51.3106 -49.6599 -237.626 73.7546 51.3108 73.7543 141.685 GPRESSURE: 4690800 -149.695 -61.2869 9.64588 13.808 -159.986 25.6929 -42.0457 174.023 143.177 PRESSAVG: 4690800 -1.11796 -26.4052 33.4979 -26.4051 -65.4911 27.8043 33.4979 27.8043 113.798 GPRESSAVG: 4690800 -0.813297 -28.5594 35.6746 -23.2378 -66.8905 27.0483 32.3345 29.44 114.754 TIMING: 4690800 CPU: 14105.5, 0.00304924/step Wall: 14105.5, 0.00304924/step, 0.261896 hours remaining, 207.078125 MB of memory in use. ENERGY: 4690800 751.7714 2064.1684 1931.6601 120.6027 -206088.3638 17625.3643 0.0000 0.0000 34251.4597 -149343.3372 299.1265 -183594.7969 -149245.2357 298.3459 -90.8705 -55.5012 556426.5156 15.7297 15.6833 PRESSURE: 4691000 -16.7632 -6.54744 40.0381 -6.5474 37.2012 117.472 40.0379 117.471 -203.965 GPRESSURE: 4691000 24.4355 -23.0049 121.918 58.8189 43.4144 92.6625 42.7525 81.5906 -143.625 PRESSAVG: 4691000 6.28103 11.5786 47.1725 11.5787 -57.1113 -15.1218 47.1724 -15.1218 44.3254 GPRESSAVG: 4691000 6.11635 12.8148 48.9212 10.0771 -57.1197 -15.4591 46.8885 -15.6518 44.8703 TIMING: 4691000 CPU: 14106.2, 0.00305959/step Wall: 14106.2, 0.00305959/step, 0.262615 hours remaining, 207.078125 MB of memory in use. ENERGY: 4691000 699.2688 2081.8525 1931.0884 111.5408 -206246.1087 17731.8732 0.0000 0.0000 34386.3687 -149304.1163 300.3047 -183690.4850 -149206.8684 299.8174 -61.1758 -25.2583 556513.0687 -2.1683 -2.0444 PRESSURE: 4691200 260.888 -27.4752 185.557 -27.4763 -35.8066 133.776 185.558 133.777 -119.173 GPRESSURE: 4691200 299.942 -76.6847 189.541 -41.4672 14.995 90.8934 177.015 146.911 -106.962 PRESSAVG: 4691200 -49.0025 -2.38623 17.0702 -2.38617 62.6963 -26.5065 17.0701 -26.5065 -10.5889 GPRESSAVG: 4691200 -50.3057 -2.16512 15.578 -0.934631 63.9997 -24.7472 17.3602 -25.4529 -10.4316 TIMING: 4691200 CPU: 14106.8, 0.00304455/step Wall: 14106.8, 0.00304455/step, 0.261155 hours remaining, 207.078125 MB of memory in use. ENERGY: 4691200 730.8528 2081.6236 1918.4700 111.8340 -206171.6318 17747.7405 0.0000 0.0000 34103.5444 -149477.5665 297.8347 -183581.1109 -149377.0720 298.6545 35.3028 69.3251 555702.4791 1.0349 1.0875 PRESSURE: 4691400 -317.564 164.474 13.846 164.471 -223.547 82.7135 13.8453 82.7134 -48.3792 GPRESSURE: 4691400 -219.235 195.339 -45.4741 211.925 -204.836 95.7022 -86.7915 111.926 -63.9998 PRESSAVG: 4691400 36.7139 53.4909 36.9846 53.4909 -6.3389 1.83678 36.9846 1.83671 -23.003 GPRESSAVG: 4691400 37.4331 51.53 37.2403 53.2169 -5.86987 0.11648 36.399 0.935802 -23.5457 TIMING: 4691400 CPU: 14107.4, 0.00305962/step Wall: 14107.4, 0.00305962/step, 0.262278 hours remaining, 207.078125 MB of memory in use. ENERGY: 4691400 732.9926 1966.8684 1962.2170 117.0577 -205933.3425 17430.9383 0.0000 0.0000 34350.5501 -149372.7184 299.9919 -183723.2685 -149275.9949 299.0294 -196.4967 -162.6905 556708.6811 2.4573 2.6725 PRESSURE: 4691600 -181.879 -161.378 -248.961 -161.376 -316.374 65.3569 -248.96 65.356 112.299 GPRESSURE: 4691600 -113.693 -122.224 -229.67 -141.224 -238.863 58.0856 -188.693 102.578 69.7489 PRESSAVG: 4691600 -9.53343 23.5265 -7.30428 23.5265 -44.7456 -29.4752 -7.30428 -29.4752 50.8771 GPRESSAVG: 4691600 -9.67624 24.9031 -6.56934 24.0664 -44.624 -30.5304 -7.14314 -30.3393 51.2034 TIMING: 4691600 CPU: 14108, 0.00307931/step Wall: 14108, 0.00307931/step, 0.263794 hours remaining, 207.078125 MB of memory in use. ENERGY: 4691600 783.6700 2046.6382 1946.7926 109.6539 -206028.7427 17742.1366 0.0000 0.0000 34074.1533 -149325.6982 297.5781 -183399.8515 -149231.1004 298.3437 -128.6515 -94.2688 558498.0697 -1.1340 -1.0323 PRESSURE: 4691800 -12.3327 44.6145 57.3558 44.6154 82.642 171.408 57.3576 171.409 -12.7968 GPRESSURE: 4691800 21.9709 35.1176 -5.89338 9.94108 95.4936 157.474 61.6729 106.582 45.0073 PRESSAVG: 4691800 62.2592 -2.97351 -57.2412 -2.97345 -16.8593 25.4377 -57.2411 25.4378 6.96707 GPRESSAVG: 4691800 63.0531 -3.63058 -60.0259 -2.40614 -18.4324 28.5837 -55.7727 24.4248 8.13891 TIMING: 4691800 CPU: 14108.6, 0.00306509/step Wall: 14108.6, 0.00306509/step, 0.262406 hours remaining, 207.078125 MB of memory in use. ENERGY: 4691800 768.3394 2117.9792 1957.7881 114.0005 -206317.8216 18001.4004 0.0000 0.0000 34101.8736 -149256.4404 297.8201 -183358.3139 -149160.6449 298.5137 19.1708 54.1573 558837.1141 17.4557 17.5865 PRESSURE: 4692000 -19.5046 115.944 -123.734 115.944 -50.5613 65.256 -123.734 65.256 5.60516 GPRESSURE: 4692000 34.9873 85.1364 -141.016 103.612 -32.9102 28.1021 -119.516 121.143 29.7499 PRESSAVG: 4692000 57.9954 14.8099 -78.619 14.81 -47.8913 -5.86499 -78.6191 -5.86487 0.633811 GPRESSAVG: 4692000 58.0684 15.7476 -76.4502 12.5109 -47.3658 -9.08422 -80.587 -2.53716 0.200372 TIMING: 4692000 CPU: 14109.2, 0.00305527/step Wall: 14109.2, 0.00305527/step, 0.261395 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: 4692000 692.4661 2093.0964 1964.6820 127.4116 -205923.8648 17698.2404 0.0000 0.0000 34294.3740 -149053.5942 299.5013 -183347.9682 -148962.7223 299.1608 -21.4869 10.6090 557155.6598 3.5793 3.6343 PRESSURE: 4692200 321.805 233.558 -181.233 233.56 87.2765 -89.7329 -181.233 -89.732 278.966 GPRESSURE: 4692200 391.666 125.491 -196.063 271.564 109.237 -21.4916 -183.138 -104.07 282.489 PRESSAVG: 4692200 41.2185 -26.4442 -8.66362 -26.4442 -69.3392 18.064 -8.66372 18.0642 -0.356308 GPRESSAVG: 4692200 40.2277 -27.8894 -9.88204 -24.4738 -68.6014 21.3253 -8.30746 15.8451 -0.110343 TIMING: 4692200 CPU: 14109.8, 0.00303325/step Wall: 14109.8, 0.00303325/step, 0.259343 hours remaining, 207.078125 MB of memory in use. ENERGY: 4692200 779.5879 2064.5496 1946.5192 105.6941 -206255.7973 18068.9256 0.0000 0.0000 34187.6791 -149102.8418 298.5695 -183290.5209 -149008.4252 299.5425 229.3492 261.1309 555366.7696 -9.4923 -9.4947 LDB: ============= START OF LOAD BALANCING ============== 14113.3 LDB: ============== END OF LOAD BALANCING =============== 14113.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14113.3 LDB: ============= START OF LOAD BALANCING ============== 14113.6 LDB: Largest compute 4820 load 0.029113 is 24.7% of average load 0.118104 LDB: Average compute 0.001741 is 1.5% of average load 0.118104 LDB: TIME 14113.6 LOAD: AVG 0.118104 MAX 0.215936 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.16 MB LDB: TIME 14113.6 LOAD: AVG 0.118104 MAX 0.215936 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.363 MB LDB: TIME 14113.6 LOAD: AVG 0.118104 MAX 0.215936 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.363 MB LDB: ============== END OF LOAD BALANCING =============== 14113.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14113.6 PRESSURE: 4692400 123.992 -203.351 -103.247 -203.352 -112.904 -138.277 -103.246 -138.278 -122.475 GPRESSURE: 4692400 144.5 -215.968 -91.007 -232.623 -16.0029 -173.95 -141.618 -167.138 -142.25 PRESSAVG: 4692400 76.3789 -33.94 -45.1882 -33.9399 -39.4107 12.9531 -45.1883 12.9531 18.1257 GPRESSAVG: 4692400 76.4521 -33.7248 -45.8455 -34.2084 -40.1434 12.677 -44.1797 12.2776 18.3206 TIMING: 4692400 CPU: 14110.4, 0.00310089/step Wall: 14110.4, 0.00310089/step, 0.264954 hours remaining, 208.867188 MB of memory in use. ENERGY: 4692400 754.3821 2132.7550 1919.0307 120.3769 -206074.1426 17765.2713 0.0000 0.0000 34180.5777 -149201.7489 298.5075 -183382.3266 -149114.9147 299.4706 -37.1289 -4.5844 557116.5980 18.3646 18.2097 PRESSURE: 4692600 -170.324 -10.5737 -234.529 -10.5731 -4.42092 40.3729 -234.529 40.3756 -117.508 GPRESSURE: 4692600 -134.129 54.164 -203.45 5.58659 35.7382 58.5867 -308.298 101.296 -94.6442 PRESSAVG: 4692600 56.9541 47.6566 -3.5998 47.6567 -80.6724 22.5625 -3.59974 22.5624 24.6934 GPRESSAVG: 4692600 57.4578 50.2922 -1.95505 48.3638 -80.7067 22.3192 -5.34743 22.1989 23.7756 TIMING: 4692600 CPU: 14111, 0.00302327/step Wall: 14111, 0.00302326/step, 0.258153 hours remaining, 209.070312 MB of memory in use. ENERGY: 4692600 739.8409 2103.9007 1930.6039 113.0160 -206316.4249 17806.9536 0.0000 0.0000 34320.8267 -149301.2831 299.7323 -183622.1098 -149199.3744 299.2537 -97.4174 -64.3451 557391.7027 0.3250 0.1756 PRESSURE: 4692800 -78.5387 48.8913 -154.474 48.8919 -65.8158 -108.11 -154.475 -108.112 -203.413 GPRESSURE: 4692800 -25.0201 124.967 -133.379 69.9894 -26.0615 -2.63417 -160.14 -73.7109 -190.68 PRESSAVG: 4692800 7.52878 26.9419 -31.071 26.9418 23.6355 -28.4577 -31.071 -28.4579 -13.5711 GPRESSAVG: 4692800 7.76329 25.2147 -31.7763 26.102 24.0776 -28.3542 -31.2467 -27.611 -14.3646 TIMING: 4692800 CPU: 14111.7, 0.00304483/step Wall: 14111.7, 0.00304483/step, 0.259826 hours remaining, 209.070312 MB of memory in use. ENERGY: 4692800 786.2352 2066.8756 1942.2015 120.7522 -206014.9313 17702.1550 0.0000 0.0000 34055.4799 -149341.2319 297.4150 -183396.7118 -149236.9421 299.1118 -115.9225 -80.5872 558088.2961 5.8644 5.8254 PRESSURE: 4693000 184.499 125.967 37.5712 125.966 -217.325 95.6108 37.5715 95.6131 -206.964 GPRESSURE: 4693000 175.774 180.682 72.3684 20.8668 -191.537 -73.7953 75.6507 191.397 -116.262 PRESSAVG: 4693000 -15.9361 35.4077 -63.5815 35.4078 -18.8435 -27.8464 -63.5815 -27.8464 52.5988 GPRESSAVG: 4693000 -16.7904 36.1366 -62.6929 34.5836 -18.5074 -30.4719 -62.8068 -26.6847 53.661 TIMING: 4693000 CPU: 14112.3, 0.00305465/step Wall: 14112.3, 0.00305465/step, 0.260494 hours remaining, 209.070312 MB of memory in use. ENERGY: 4693000 744.2047 2158.5004 1950.1891 118.1846 -206228.4296 17763.4576 0.0000 0.0000 34197.2526 -149296.6405 298.6531 -183493.8931 -149199.2181 299.4452 -79.9301 -44.0085 557674.0539 5.9398 6.1211 PRESSURE: 4693200 15.3922 101.187 -1.82758 101.187 185.701 -149.888 -1.8292 -149.889 154.284 GPRESSURE: 4693200 104.828 40.3054 51.6921 123.241 172.174 -88.0595 26.4449 -153.843 185.363 PRESSAVG: 4693200 -37.4052 40.8553 83.7979 40.8553 14.709 7.13384 83.7978 7.13388 23.4615 GPRESSAVG: 4693200 -36.1446 40.8318 82.2442 40.9956 11.903 8.16003 83.4673 6.88763 24.2958 TIMING: 4693200 CPU: 14112.9, 0.00304646/step Wall: 14112.9, 0.00304646/step, 0.259626 hours remaining, 209.070312 MB of memory in use. ENERGY: 4693200 716.3940 2137.3861 1937.1770 102.6011 -206278.3609 18019.1608 0.0000 0.0000 34192.8004 -149172.8415 298.6142 -183365.6419 -149076.8541 299.6471 118.4591 154.1216 556751.3033 0.2551 0.0181 PRESSURE: 4693400 -33.015 64.1435 -24.2799 64.1436 31.7765 9.91042 -24.2792 9.90827 -87.308 GPRESSURE: 4693400 -43.4453 81.4974 -25.9354 61.3967 92.0867 -28.2208 -0.243751 63.0918 -45.5853 PRESSAVG: 4693400 -28.2406 33.4916 8.90978 33.4916 -58.824 4.13892 8.90973 4.1389 71.3824 GPRESSAVG: 4693400 -28.8408 34.5116 10.6218 32.9231 -56.2029 4.96039 6.67741 2.49596 69.4826 TIMING: 4693400 CPU: 14113.5, 0.00302932/step Wall: 14113.5, 0.00302932/step, 0.257997 hours remaining, 209.070312 MB of memory in use. ENERGY: 4693400 779.4599 2135.7453 1946.2719 108.0671 -206568.7542 17981.3773 0.0000 0.0000 34294.8199 -149323.0128 299.5052 -183617.8327 -149229.4169 299.3101 -29.5155 1.0187 557219.1797 -5.2274 -5.1871 PRESSURE: 4693600 -292.603 93.3118 110.79 93.311 -220.276 142.478 110.791 142.477 -205.482 GPRESSURE: 4693600 -204.537 96.5597 66.4014 98.9444 -192.32 31.6188 91.9902 227.486 -229.791 PRESSAVG: 4693600 10.6778 14.6649 24.0519 14.6649 -6.0039 -12.6273 24.052 -12.6273 -6.30313 GPRESSAVG: 4693600 10.7675 15.6267 21.7593 13.8257 -7.22746 -14.1916 27.5501 -12.6247 -5.25044 TIMING: 4693600 CPU: 14114.1, 0.00303557/step Wall: 14114.1, 0.00303557/step, 0.258361 hours remaining, 209.070312 MB of memory in use. ENERGY: 4693600 758.8284 2088.0322 1954.3893 116.5302 -205876.4799 17506.9467 0.0000 0.0000 34200.0394 -149251.7138 298.6774 -183451.7531 -149158.3198 299.3063 -239.4539 -208.8822 556380.5056 -0.5431 -0.5701 PRESSURE: 4693800 -127.433 -229.713 25.0128 -229.714 135.805 88.6755 25.0137 88.676 49.9046 GPRESSURE: 4693800 -122.099 -295.629 -53.0017 -116.282 142.695 104.518 123.061 158.437 125.489 PRESSAVG: 4693800 2.44298 -26.5156 16.064 -26.5155 59.2478 51.2697 16.0641 51.2697 -10.1029 GPRESSAVG: 4693800 1.00411 -26.5692 17.4282 -25.6451 61.2337 51.5397 13.5454 49.0118 -10.8149 TIMING: 4693800 CPU: 14114.7, 0.00305097/step Wall: 14114.7, 0.00305097/step, 0.259502 hours remaining, 209.070312 MB of memory in use. ENERGY: 4693800 760.7983 2106.2267 1943.8280 109.9100 -206488.4311 17892.6952 0.0000 0.0000 34295.5835 -149379.3893 299.5119 -183674.9728 -149277.7218 299.0162 19.4258 48.6953 555873.8405 17.1959 17.1410 PRESSURE: 4694000 285.312 271.019 113.207 271.019 -45.9369 -19.806 113.207 -19.8047 42.9392 GPRESSURE: 4694000 308.154 221.949 121.699 262.37 -22.5212 -7.19797 81.1083 52.6927 92.1714 PRESSAVG: 4694000 5.06298 3.32561 -31.112 3.32567 11.4267 44.6583 -31.112 44.6583 -6.95994 GPRESSAVG: 4694000 6.08199 -0.919773 -30.3509 4.01785 10.4226 44.6061 -30.0646 47.1534 -6.64868 TIMING: 4694000 CPU: 14115.3, 0.00305537/step Wall: 14115.3, 0.00305537/step, 0.259707 hours remaining, 209.070312 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: 4694000 764.2925 2047.1757 1940.7794 122.3902 -206453.1935 17948.3881 0.0000 0.0000 34188.0047 -149442.1629 298.5723 -183630.1676 -149346.7691 299.2071 94.1047 125.9348 557056.3329 3.1766 3.2853 PRESSURE: 4694200 -64.3696 17.2402 -36.9586 17.2411 181.628 -139.361 -36.9572 -139.361 176.315 GPRESSURE: 4694200 -48.7189 -10.6871 -107.05 -29.6099 264.932 -74.9544 5.44926 -218.86 171.991 PRESSAVG: 4694200 -32.1329 -5.9094 10.5385 -5.90941 -20.5238 -13.0588 10.5387 -13.0588 66.4009 GPRESSAVG: 4694200 -32.7192 -4.46484 8.15489 -5.0506 -18.5834 -12.6604 11.8043 -13.4356 64.9133 TIMING: 4694200 CPU: 14115.9, 0.00305081/step Wall: 14115.9, 0.00305081/step, 0.259149 hours remaining, 209.070312 MB of memory in use. ENERGY: 4694200 758.5403 2046.0846 1950.0350 120.4048 -206328.7028 17957.9283 0.0000 0.0000 34269.8383 -149225.8716 299.2870 -183495.7099 -149127.7026 298.9014 97.8579 129.4012 556075.1339 4.5814 4.5369 PRESSURE: 4694400 -239.937 -18.4862 14.9822 -18.4853 -194.912 -16.5578 14.9816 -16.5562 -103.227 GPRESSURE: 4694400 -209.916 -72.5858 8.05337 22.151 -181.683 0.623968 -37.1116 24.9719 -55.6572 PRESSAVG: 4694400 -46.1618 58.5216 -26.2329 58.5216 33.318 0.178425 -26.2329 0.178509 76.6359 GPRESSAVG: 4694400 -45.0912 58.9555 -22.5132 57.9874 31.692 2.40513 -28.3976 0.599523 76.7662 TIMING: 4694400 CPU: 14116.5, 0.00303449/step Wall: 14116.5, 0.00303449/step, 0.257595 hours remaining, 209.070312 MB of memory in use. ENERGY: 4694400 720.0359 2060.5980 1953.1096 103.3084 -206241.5762 17617.2646 0.0000 0.0000 34354.1610 -149433.0988 300.0234 -183787.2598 -149338.0107 299.0688 -179.3590 -149.0854 557161.6638 21.2640 21.1223 PRESSURE: 4694600 220.838 37.6927 -13.7854 37.6933 291.82 -78.8977 -13.7859 -78.8981 -42.1244 GPRESSURE: 4694600 213.051 67.8982 -40.4246 92.8802 340.389 66.6736 -31.9382 -166.902 8.18837 PRESSAVG: 4694600 -57.4235 -28.589 -52.8116 -28.589 73.5694 -27.1777 -52.8115 -27.1777 1.88473 GPRESSAVG: 4694600 -57.6759 -28.4026 -54.4922 -29.9214 73.9459 -27.6621 -50.6775 -28.9575 1.95225 TIMING: 4694600 CPU: 14117.1, 0.00303134/step Wall: 14117.1, 0.00303134/step, 0.257159 hours remaining, 209.070312 MB of memory in use. ENERGY: 4694600 748.1611 2092.3529 1950.6052 124.3665 -206723.1890 18052.4885 0.0000 0.0000 34208.6920 -149546.5228 298.7530 -183755.2148 -149454.6601 298.7666 156.8444 187.2092 556185.3252 6.0102 6.0741 PRESSURE: 4694800 165.197 131.737 54.0858 131.737 176.982 19.7676 54.0855 19.7691 403.863 GPRESSURE: 4694800 222.15 58.3143 67.0867 77.065 179.46 6.16342 84.7148 56.4459 440.97 PRESSAVG: 4694800 -1.84901 -31.9069 73.3918 -31.9069 -19.0421 -42.573 73.3918 -42.5732 44.9593 GPRESSAVG: 4694800 -2.10898 -31.8972 74.2636 -32.7173 -18.9624 -43.6748 73.9553 -42.743 45.3181 TIMING: 4694800 CPU: 14117.7, 0.00304266/step Wall: 14117.7, 0.00304266/step, 0.25795 hours remaining, 209.070312 MB of memory in use. ENERGY: 4694800 752.6003 2133.9256 1930.2314 105.1812 -207096.8226 18387.7997 0.0000 0.0000 34308.2035 -149478.8809 299.6221 -183787.0844 -149387.9032 298.3310 248.6806 280.8599 557338.0666 8.0227 8.0822 PRESSURE: 4695000 -96.7578 75.1711 -92.0509 75.1721 -176.262 -133.047 -92.0499 -133.047 -136.48 GPRESSURE: 4695000 -81.1571 116.54 -27.7838 104.729 -119.623 -107.944 -93.1099 -91.4934 -119.71 PRESSAVG: 4695000 -13.6682 -30.0655 30.9571 -30.0655 -37.3758 -31.5527 30.9572 -31.5528 62.0097 GPRESSAVG: 4695000 -12.3408 -28.5498 30.7133 -30.9967 -38.1637 -31.559 29.8168 -30.0923 61.7198 TIMING: 4695000 CPU: 14118.4, 0.00304041/step Wall: 14118.4, 0.00304041/step, 0.25759 hours remaining, 209.070312 MB of memory in use. ENERGY: 4695000 731.4860 2143.6336 1948.3447 116.1396 -206063.0840 17617.6793 0.0000 0.0000 34192.1558 -149313.6451 298.6086 -183505.8009 -149214.3056 298.7669 -136.4998 -106.8299 557830.3789 3.6552 3.7384 PRESSURE: 4695200 92.1241 -22.2414 21.9868 -22.2409 -111.623 40.5992 21.9877 40.6002 130.82 GPRESSURE: 4695200 155.63 -31.476 -41.5373 33.9083 -104.247 83.2769 73.9743 28.359 146.368 PRESSAVG: 4695200 34.3788 -24.8052 74.769 -24.8052 -29.0667 -30.7214 74.769 -30.7214 -16.3314 GPRESSAVG: 4695200 32.9308 -26.0452 74.1543 -22.2378 -27.3415 -32.7322 74.3279 -30.1303 -16.5254 TIMING: 4695200 CPU: 14119, 0.00302463/step Wall: 14119, 0.00302463/step, 0.256085 hours remaining, 209.070312 MB of memory in use. ENERGY: 4695200 712.8617 2116.6710 1912.3854 117.6010 -206192.8785 17850.1579 0.0000 0.0000 34141.1560 -149342.0456 298.1632 -183483.2016 -149243.0838 298.4763 37.1070 65.9168 557611.0402 -3.6731 -3.6454 PRESSURE: 4695400 249.153 48.3145 185.933 48.3137 -52.0531 -62.3318 185.933 -62.3326 -2.82938 GPRESSURE: 4695400 283.335 73.6231 247.504 14.9959 -51.178 -63.2285 186.912 -12.902 40.6484 PRESSAVG: 4695400 29.3474 -41.8787 -4.41637 -41.8786 -33.606 21.5467 -4.41637 21.5468 -23.0635 GPRESSAVG: 4695400 28.9227 -41.9542 -6.10388 -41.2935 -34.6015 24.2562 -3.35881 18.5726 -21.9312 TIMING: 4695400 CPU: 14119.6, 0.00303541/step Wall: 14119.6, 0.00303541/step, 0.25683 hours remaining, 209.070312 MB of memory in use. ENERGY: 4695400 754.6497 2105.1336 1926.0630 111.5967 -206511.3719 18026.5296 0.0000 0.0000 34302.2741 -149285.1252 299.5703 -183587.3993 -149185.5759 299.2327 64.7568 90.9351 559017.1873 -9.1074 -9.2034 PRESSURE: 4695600 66.9429 38.7623 -130.417 38.7625 78.1008 149.007 -130.416 149.007 -50.5465 GPRESSURE: 4695600 85.9833 47.3217 -57.328 15.6118 81.6686 93.5256 -109.279 156.37 28.0498 PRESSAVG: 4695600 36.7281 12.8451 57.6718 12.8451 -59.704 -15.2897 57.6717 -15.2898 1.81371 GPRESSAVG: 4695600 37.8953 10.5673 58.7877 13.6007 -59.6967 -14.3707 54.9304 -15.5953 0.220256 TIMING: 4695600 CPU: 14120.2, 0.00304583/step Wall: 14120.2, 0.00304583/step, 0.257542 hours remaining, 209.070312 MB of memory in use. ENERGY: 4695600 734.1144 2128.6760 1928.6322 108.8302 -206519.6415 18009.6587 0.0000 0.0000 34201.5347 -149408.1951 298.6905 -183609.7299 -149314.3692 298.7173 31.4991 65.2339 558816.8989 -7.0541 -7.1937 PRESSURE: 4695800 -74.6856 -1.14064 112.889 -1.14008 -203.172 90.1083 112.888 90.1084 -176.824 GPRESSURE: 4695800 -60.1664 53.9799 84.5791 -25.929 -145.547 105.025 150.196 128.888 -141.143 PRESSAVG: 4695800 22.4005 8.15615 12.6138 8.15613 -48.8507 55.7213 12.6139 55.7215 20.9927 GPRESSAVG: 4695800 22.2439 10.2198 13.833 6.9034 -49.0074 53.323 13.4577 56.9815 21.1656 TIMING: 4695800 CPU: 14120.8, 0.003026/step Wall: 14120.8, 0.003026/step, 0.255697 hours remaining, 209.070312 MB of memory in use. ENERGY: 4695800 758.6610 2157.8395 1918.6261 119.0772 -206351.5038 17724.4561 0.0000 0.0000 34255.9986 -149416.8455 299.1662 -183672.8441 -149326.3409 298.4176 -151.5606 -115.6187 558222.6603 -1.8192 -1.8659 PRESSURE: 4696000 -120.839 55.9977 -75.5003 55.9977 60.1577 -10.7286 -75.5006 -10.7298 107.971 GPRESSURE: 4696000 -119.018 121.645 -37.2145 66.4196 96.8187 75.4703 -150.579 -91.4086 164.634 PRESSAVG: 4696000 21.6929 -30.7297 23.8509 -30.7298 -70.9042 24.624 23.8509 24.624 25.6683 GPRESSAVG: 4696000 21.0788 -32.1724 22.5917 -32.2703 -70.4637 26.9592 23.7605 23.1022 26.2298 TIMING: 4696000 CPU: 14121.4, 0.00304982/step Wall: 14121.4, 0.00304982/step, 0.25754 hours remaining, 209.070312 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: 4696000 744.8544 2069.3097 1945.7256 108.4371 -206423.4005 18068.6368 0.0000 0.0000 34186.5702 -149299.8666 298.5598 -183486.4368 -149203.5371 299.1759 15.7633 47.4783 558092.7782 -7.8477 -7.7184 PRESSURE: 4696200 -148.651 56.2283 54.831 56.2286 -103.386 99.4305 54.8309 99.4303 -326.545 GPRESSURE: 4696200 -99.8842 64.2764 142.663 43.6626 -76.0186 87.3936 13.343 79.4068 -305.585 PRESSAVG: 4696200 36.743 1.57027 -13.8376 1.57023 -0.439549 64.0971 -13.8376 64.0971 26.9371 GPRESSAVG: 4696200 36.0237 2.23367 -13.6221 3.22081 -0.536687 63.2364 -14.4622 65.0577 27.6026 TIMING: 4696200 CPU: 14122, 0.00306037/step Wall: 14122, 0.00306037/step, 0.258261 hours remaining, 209.070312 MB of memory in use. ENERGY: 4696200 716.5767 2067.8130 1915.2393 117.2854 -206031.0599 17535.2187 0.0000 0.0000 34309.9427 -149368.9843 299.6373 -183678.9269 -149267.7975 298.7105 -192.8608 -160.4960 558200.8373 21.0802 21.0299 LDB: ============= START OF LOAD BALANCING ============== 14125.4 LDB: ============== END OF LOAD BALANCING =============== 14125.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14125.4 LDB: ============= START OF LOAD BALANCING ============== 14125.7 LDB: Largest compute 4820 load 0.029295 is 24.8% of average load 0.118107 LDB: Average compute 0.001740 is 1.5% of average load 0.118107 LDB: TIME 14125.7 LOAD: AVG 0.118107 MAX 0.215644 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.145 MB LDB: TIME 14125.7 LOAD: AVG 0.118107 MAX 0.215644 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.152 MB LDB: TIME 14125.7 LOAD: AVG 0.118107 MAX 0.215644 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.152 MB LDB: ============== END OF LOAD BALANCING =============== 14125.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14125.7 PRESSURE: 4696400 -124.756 31.2149 63.4376 31.2146 -127.133 7.25698 63.4383 7.25734 -220.234 GPRESSURE: 4696400 -112.719 -26.1871 87.3286 -22.1011 -100.791 36.7694 103.45 -53.3389 -168.01 PRESSAVG: 4696400 -36.2719 22.0848 -32.6562 22.0847 16.5711 31.7504 -32.6561 31.7505 3.29946 GPRESSAVG: 4696400 -36.2401 22.3491 -32.1742 19.4947 16.5722 30.9785 -32.4101 32.6001 3.12855 TIMING: 4696400 CPU: 14122.6, 0.00309373/step Wall: 14122.6, 0.00309373/step, 0.260904 hours remaining, 208.570312 MB of memory in use. ENERGY: 4696400 739.8689 2139.8055 1959.9270 111.7144 -205892.8564 17474.5614 0.0000 0.0000 34047.8991 -149419.0800 297.3488 -183466.9791 -149327.9320 298.5204 -157.3744 -127.1734 557862.2671 -5.4671 -5.5131 PRESSURE: 4696600 14.2328 -82.7255 134.765 -82.7267 -103.479 -6.14235 134.765 -6.14043 -47.4607 GPRESSURE: 4696600 28.3686 -109.177 151.413 -59.3799 -65.4873 -22.6841 67.9801 36.3221 4.97326 PRESSAVG: 4696600 -10.3544 -10.0447 3.04815 -10.0447 15.2721 16.2169 3.04807 16.2169 -40.8751 GPRESSAVG: 4696600 -9.34449 -10.2293 4.21495 -7.58191 15.1539 16.5975 4.14953 15.3228 -42.0939 TIMING: 4696600 CPU: 14123.2, 0.00303478/step Wall: 14123.2, 0.00303478/step, 0.255765 hours remaining, 208.570312 MB of memory in use. ENERGY: 4696600 775.1349 2101.5554 1946.3526 119.0792 -206544.5050 17985.4893 0.0000 0.0000 34280.8088 -149336.0848 299.3828 -183616.8936 -149244.5442 298.8106 -45.5691 -10.7151 556518.5132 -11.9858 -12.0948 PRESSURE: 4696800 118.592 36.9478 72.6453 36.9472 175.993 -31.802 72.6459 -31.8015 158.941 GPRESSURE: 4696800 183.257 68.6608 121.934 -9.47691 195.714 -20.2018 35.2554 -0.091903 174.112 PRESSAVG: 4696800 -19.0512 -19.5894 27.171 -19.5894 45.6043 -40.1465 27.171 -40.1465 14.8871 GPRESSAVG: 4696800 -20.0318 -18.5897 26.8298 -18.8557 45.9044 -40.1782 26.6991 -38.9406 15.4475 TIMING: 4696800 CPU: 14123.8, 0.00301394/step Wall: 14123.8, 0.00301394/step, 0.25384 hours remaining, 208.570312 MB of memory in use. ENERGY: 4696800 741.7936 2132.6824 1945.5122 117.2008 -206279.9473 17993.7958 0.0000 0.0000 34021.7753 -149327.1871 297.1206 -183348.9625 -149234.0330 298.3653 151.1756 184.3610 556283.5495 13.8134 13.7734 PRESSURE: 4697000 -97.7951 386.776 74.0954 386.776 -14.979 3.57385 74.0964 3.57231 -373.638 GPRESSURE: 4697000 -30.9313 331.529 85.2081 381.083 12.3504 -65.7421 157.654 46.3397 -372.342 PRESSAVG: 4697000 31.9135 27.7136 13.0036 27.7136 54.7519 33.4272 13.0035 33.4274 -78.8072 GPRESSAVG: 4697000 32.9818 27.3469 13.1326 27.4543 53.6088 32.1473 11.6417 31.3883 -78.8382 TIMING: 4697000 CPU: 14124.4, 0.00300215/step Wall: 14124.4, 0.00300215/step, 0.252681 hours remaining, 208.570312 MB of memory in use. ENERGY: 4697000 709.7068 2091.8192 1953.7515 139.2231 -206145.1339 17558.7529 0.0000 0.0000 34379.5582 -149312.3222 300.2452 -183691.8804 -149219.8183 299.5811 -162.1374 -130.3077 557718.3102 2.6194 2.5841 PRESSURE: 4697200 85.5629 245.825 109.232 245.826 -227.069 -48.9542 109.232 -48.9565 186.901 GPRESSURE: 4697200 196.945 206.476 39.5755 256.728 -191.241 -1.57197 263.04 -53.1971 154.809 PRESSAVG: 4697200 60.0941 54.989 0.816557 54.9891 25.7165 -5.26403 0.816707 -5.2641 -39.4489 GPRESSAVG: 4697200 59.1274 53.9168 1.32154 54.6175 27.8015 -3.58329 3.19171 -5.23381 -40.0951 TIMING: 4697200 CPU: 14125, 0.00301726/step Wall: 14125, 0.00301726/step, 0.253785 hours remaining, 208.570312 MB of memory in use. ENERGY: 4697200 755.3430 2115.2091 1929.0230 117.8630 -206752.8650 18091.6033 0.0000 0.0000 34329.3698 -149414.4538 299.8069 -183743.8236 -149324.3843 299.6771 15.1313 53.5040 557185.5396 15.4539 15.6113 PRESSURE: 4697400 -266.768 -4.14912 93.0537 -4.14989 80.1805 -102.241 93.0529 -102.242 -88.8594 GPRESSURE: 4697400 -190.819 24.0992 64.2204 -78.0546 125.358 -72.4285 87.4922 -140.647 -121.967 PRESSAVG: 4697400 -43.2327 34.0979 -0.837516 34.0979 51.3144 -3.7058 -0.837496 -3.70581 -2.32919 GPRESSAVG: 4697400 -42.4901 33.6561 -0.388195 33.7818 48.9463 -3.81733 -2.25474 -1.23089 -0.940904 TIMING: 4697400 CPU: 14125.6, 0.00302982/step Wall: 14125.6, 0.00302982/step, 0.254673 hours remaining, 208.570312 MB of memory in use. ENERGY: 4697400 777.7581 2061.4921 1923.1412 121.7062 -206495.7878 17748.7663 0.0000 0.0000 34449.7104 -149413.2134 300.8579 -183862.9238 -149312.5899 299.8016 -91.8156 -62.4760 557877.5449 1.9175 1.8384 PRESSURE: 4697600 -10.5454 -56.9383 100.325 -56.9392 -10.8813 104.074 100.326 104.074 -56.8781 GPRESSURE: 4697600 49.5719 -23.4068 90.7125 -55.7926 10.3272 36.7508 25.0481 76.422 -52.1754 PRESSAVG: 4697600 19.2275 -3.05205 14.7775 -3.05212 -14.6546 38.034 14.7776 38.0339 -16.6071 GPRESSAVG: 4697600 17.8598 -3.75165 12.7583 -2.35015 -12.6125 37.3035 17.4378 37.3702 -17.2995 TIMING: 4697600 CPU: 14126.2, 0.0030141/step Wall: 14126.2, 0.0030141/step, 0.253184 hours remaining, 208.570312 MB of memory in use. ENERGY: 4697600 764.1824 2075.9311 1920.4662 103.9204 -206480.7157 17934.7413 0.0000 0.0000 34060.2910 -149621.1832 297.4570 -183681.4742 -149521.6996 298.8793 -26.1016 2.5746 558812.5100 -4.0114 -4.0174 PRESSURE: 4697800 37.7489 147.29 115.851 147.291 -102.617 141.389 115.849 141.391 -85.5875 GPRESSURE: 4697800 33.8808 182.931 125.97 161.418 -74.5579 139.135 116.335 127.742 -20.9419 PRESSAVG: 4697800 26.9232 -42.291 6.77749 -42.2912 -14.7735 38.2713 6.77758 38.2714 -21.1564 GPRESSAVG: 4697800 27.1223 -42.6762 7.85999 -40.0243 -15.1987 38.9162 6.21259 36.3858 -21.5302 TIMING: 4697800 CPU: 14126.8, 0.00300632/step Wall: 14126.8, 0.00300632/step, 0.252364 hours remaining, 208.570312 MB of memory in use. ENERGY: 4697800 747.6103 2111.6549 1924.3551 122.6872 -206714.4377 17914.0724 0.0000 0.0000 34292.0443 -149602.0135 299.4810 -183894.0578 -149506.6630 297.6697 -50.1518 -20.5397 558683.5796 -3.0022 -3.2022 PRESSURE: 4698000 -199.395 -19.2746 -139.46 -19.2749 -12.0573 124.782 -139.459 124.782 22.9769 GPRESSURE: 4698000 -147.289 -50.9202 -179.263 -15.633 17.3938 282.247 -115.613 29.3847 37.7475 PRESSAVG: 4698000 -31.7047 -25.7312 18.8097 -25.7311 -21.5756 22.0322 18.8099 22.0322 58.8969 GPRESSAVG: 4698000 -32.9324 -25.3879 18.8442 -27.6825 -21.1031 22.7266 18.8251 23.3142 59.4967 TIMING: 4698000 CPU: 14127.4, 0.00300633/step Wall: 14127.4, 0.00300633/step, 0.252197 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: 4698000 727.5395 2110.3897 1930.6099 115.0632 -206256.0711 17742.5461 0.0000 0.0000 34083.5749 -149546.3478 297.6603 -183629.9228 -149446.9260 298.8982 -62.8251 -30.7158 558297.8521 1.8722 1.8204 PRESSURE: 4698200 -155.702 -71.4523 -89.1077 -71.4527 4.10156 -82.9025 -89.1084 -82.9025 -19.4631 GPRESSURE: 4698200 -144.508 -113.397 -90.1756 -158.677 16.8269 -79.7272 -24.7626 -58.6498 48.011 PRESSAVG: 4698200 -50.5957 1.26159 -34.336 1.26164 12.3138 -19.6584 -34.3359 -19.6586 40.3843 GPRESSAVG: 4698200 -49.8334 2.02288 -34.5093 1.90878 11.963 -18 -35.6343 -21.5928 39.9274 TIMING: 4698200 CPU: 14128, 0.00299716/step Wall: 14128, 0.00299716/step, 0.251262 hours remaining, 208.570312 MB of memory in use. ENERGY: 4698200 746.7715 2067.7989 1963.2243 116.7539 -206641.4926 17800.7231 0.0000 0.0000 34416.1803 -149530.0406 300.5651 -183946.2209 -149436.0019 298.5819 -57.0213 -26.5568 556919.6025 0.7008 0.6856 PRESSURE: 4698400 142.741 -6.98976 -193.841 -6.99016 -92.1264 3.36156 -193.84 3.3615 -200.51 GPRESSURE: 4698400 161.691 -46.0291 -216.609 -74.1946 -56.2647 14.1609 -267.261 -10.8415 -139.08 PRESSAVG: 4698400 -53.0341 -10.6149 5.05577 -10.6148 3.3331 -12.9666 5.05567 -12.9666 45.7839 GPRESSAVG: 4698400 -52.124 -9.84607 4.55877 -11.6966 3.1849 -15.5988 5.18104 -11.8277 45.1189 TIMING: 4698400 CPU: 14128.6, 0.00299437/step Wall: 14128.6, 0.00299437/step, 0.250862 hours remaining, 208.570312 MB of memory in use. ENERGY: 4698400 745.9621 2141.0018 1920.5648 118.8983 -206429.9277 17742.5075 0.0000 0.0000 34325.4854 -149435.5076 299.7730 -183760.9930 -149341.6401 298.7542 -49.9652 -11.2178 556573.1766 -1.3057 -1.2734 PRESSURE: 4698600 165.192 114.753 8.83915 114.753 208.953 -0.959599 8.83952 -0.959023 35.0466 GPRESSURE: 4698600 162.533 47.6158 103.968 61.7509 234.741 60.7791 -36.4156 -14.4168 121.538 PRESSAVG: 4698600 -28.561 -31.0707 -11.4805 -31.0707 22.582 52.1064 -11.4804 52.1064 19.628 GPRESSAVG: 4698600 -27.9658 -32.3482 -11.4148 -31.4659 22.1454 52.9937 -8.95241 50.735 19.2444 TIMING: 4698600 CPU: 14129.2, 0.0030088/step Wall: 14129.2, 0.0030088/step, 0.251904 hours remaining, 208.570312 MB of memory in use. ENERGY: 4698600 733.8598 2094.0371 1947.3406 102.0884 -206579.7771 17974.8404 0.0000 0.0000 34117.8179 -149609.7929 297.9594 -183727.6108 -149513.8196 297.9140 136.3972 172.9371 556531.7684 4.5497 4.4747 PRESSURE: 4698800 450.346 86.0137 -101.56 86.0129 158.003 -72.4094 -101.56 -72.4113 -134.268 GPRESSURE: 4698800 456.617 0.73142 -105.847 162.13 180.998 -54.8215 -83.118 -83.4336 -69.2053 PRESSAVG: 4698800 -2.96837 -6.77291 4.15713 -6.77289 -10.8317 -16.0815 4.15699 -16.0814 59.4145 GPRESSAVG: 4698800 -3.76489 -7.32013 4.34381 -5.97307 -10.7503 -17.1058 2.52302 -14.4361 59.708 TIMING: 4698800 CPU: 14129.8, 0.00302365/step Wall: 14129.8, 0.00302365/step, 0.252979 hours remaining, 208.570312 MB of memory in use. ENERGY: 4698800 713.7641 2047.8301 1944.2822 111.8907 -206831.3904 18132.7709 0.0000 0.0000 34044.8526 -149835.9999 297.3222 -183880.8525 -149738.3998 297.5207 158.0270 189.4698 556824.5342 15.2048 15.0642 PRESSURE: 4699000 25.3656 -207.966 -64.2817 -207.966 310.956 187.058 -64.2815 187.056 9.16915 GPRESSURE: 4699000 65.8277 -159.065 25.3645 -160.274 304.979 138.574 -140.125 156.474 62.4058 PRESSAVG: 4699000 -0.466123 -36.8944 -27.8821 -36.8945 43.1578 16.7574 -27.8821 16.7574 -43.3695 GPRESSAVG: 4699000 -0.8217 -37.0636 -26.9871 -37.207 42.6495 18.0965 -29.1762 14.2073 -43.0186 TIMING: 4699000 CPU: 14130.5, 0.00302332/step Wall: 14130.5, 0.00302332/step, 0.252783 hours remaining, 208.570312 MB of memory in use. ENERGY: 4699000 766.0028 2066.4857 1942.8151 113.1643 -206921.7397 18200.0884 0.0000 0.0000 33995.1162 -149838.0673 296.8878 -183833.1835 -149742.8790 297.4914 115.1634 144.4040 556603.1964 -0.2259 -0.3969 PRESSURE: 4699200 395.742 114.299 58.6756 114.299 212.251 -170.031 58.676 -170.031 262.63 GPRESSURE: 4699200 483.243 55.2714 45.969 90.7376 225.887 -156.812 51.0174 -189.189 273.937 PRESSAVG: 4699200 36.4131 -40.2951 -0.438198 -40.2951 -20.1007 -10.2012 -0.438273 -10.2012 -65.0511 GPRESSAVG: 4699200 36.348 -40.7735 -3.24581 -39.9944 -19.1618 -10.7172 2.50906 -8.85876 -65.5459 TIMING: 4699200 CPU: 14131.1, 0.0030438/step Wall: 14131.1, 0.0030438/step, 0.254327 hours remaining, 208.570312 MB of memory in use. ENERGY: 4699200 760.2359 2048.6458 1937.0432 105.5141 -207086.3103 18249.7335 0.0000 0.0000 34166.9681 -149818.1698 298.3886 -183985.1379 -149722.9273 297.3549 290.2075 327.6890 553332.7043 -16.2462 -16.1199 PRESSURE: 4699400 392 1.12767 25.8709 1.12879 -139.375 -88.5888 25.8709 -88.5884 -174.899 GPRESSURE: 4699400 360.054 -42.1963 -12.7205 30 -40.4043 -75.4051 -11.0217 -13.6524 -140.434 PRESSAVG: 4699400 89.9098 9.38857 33.1585 9.38859 -10.0716 4.4576 33.1585 4.45749 -65.4021 GPRESSAVG: 4699400 89.8042 7.85476 34.491 9.82356 -9.70847 4.57241 29.4794 5.45003 -65.5562 TIMING: 4699400 CPU: 14131.7, 0.00305235/step Wall: 14131.7, 0.00305235/step, 0.254872 hours remaining, 208.570312 MB of memory in use. ENERGY: 4699400 715.6097 2081.0751 1963.2699 111.8308 -206571.5070 17880.2633 0.0000 0.0000 34071.2884 -149748.1698 297.5530 -183819.4583 -149653.1473 297.6570 25.9085 59.7384 555077.5523 4.8120 4.8465 PRESSURE: 4699600 44.0163 43.1604 -6.26874 43.1599 175.152 36.2796 -6.2695 36.2787 173.095 GPRESSURE: 4699600 141.633 98.8265 -82.7095 3.69409 225.013 0.0142115 -0.237053 84.4698 124.082 PRESSAVG: 4699600 8.23795 35.4177 -42.9607 35.4178 2.91927 1.60559 -42.9607 1.6056 -55.2317 GPRESSAVG: 4699600 8.20111 38.3976 -42.1956 31.8819 2.63646 1.46656 -41.0895 2.61354 -55.1267 TIMING: 4699600 CPU: 14132.3, 0.00304789/step Wall: 14132.3, 0.00304789/step, 0.25433 hours remaining, 208.570312 MB of memory in use. ENERGY: 4699600 752.2468 2130.6458 1927.0513 112.4763 -206614.2200 17934.3370 0.0000 0.0000 34150.1124 -149607.3504 298.2414 -183757.4628 -149517.5657 297.9144 130.7547 163.5759 555420.1113 -14.6915 -14.7631 PRESSURE: 4699800 -213.82 109.137 130.34 109.137 -147.008 29.9211 130.341 29.9203 -234.476 GPRESSURE: 4699800 -172.131 112.04 132.83 6.25718 -149.224 12.6429 96.8742 70.8812 -176.645 PRESSAVG: 4699800 19.0321 5.08814 -32.2914 5.08815 34.7475 46.7811 -32.2914 46.7811 -42.1519 GPRESSAVG: 4699800 19.371 5.76474 -32.8722 8.15138 33.9015 46.2035 -32.5312 46.7419 -42.251 TIMING: 4699800 CPU: 14132.9, 0.00304639/step Wall: 14132.9, 0.00304639/step, 0.254035 hours remaining, 208.570312 MB of memory in use. ENERGY: 4699800 727.2343 2096.3127 1935.3581 105.4268 -206368.4706 17668.0520 0.0000 0.0000 34171.7081 -149664.3785 298.4300 -183836.0866 -149560.5274 298.9214 -198.4346 -166.0000 556193.7282 3.8759 3.6739 PRESSURE: 4700000 145.855 -125.873 29.3365 -125.873 61.7566 201.134 29.3368 201.136 -47.9257 GPRESSURE: 4700000 197.955 -225.335 65.0865 -9.78254 64.4255 202.752 91.6214 214.31 -5.92345 PRESSAVG: 4700000 9.18509 -42.5885 10.4276 -42.5885 4.69989 20.4598 10.4275 20.4599 -3.9306 GPRESSAVG: 4700000 9.87237 -42.6902 12.5833 -41.9392 3.92324 20.3531 9.89955 20.8186 -3.80743 TIMING: 4700000 CPU: 14133.5, 0.00304032/step Wall: 14133.5, 0.00304031/step, 0.25336 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: 4700000 725.1501 2095.4722 1934.1069 115.4995 -206348.9347 17852.7261 0.0000 0.0000 33850.4708 -149775.5090 295.6246 -183625.9798 -149685.6667 297.3635 53.2288 85.4855 556059.2060 3.3181 3.3294 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4700000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4700000 WRITING COORDINATES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4700000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4700200 185.877 -71.7505 -13.3266 -71.7502 12.223 31.5624 -13.3274 31.5613 11.7773 GPRESSURE: 4700200 208.289 -141.88 40.2962 -20.3544 26.3985 41.491 37.4738 87.6827 70.5212 PRESSAVG: 4700200 39.8156 12.2484 3.90881 12.2483 -38.6965 24.0231 3.90877 24.0231 -3.26353 GPRESSAVG: 4700200 39.3633 11.6927 1.54613 11.5282 -38.081 24.0513 6.40068 23.083 -2.96514 TIMING: 4700200 CPU: 14134.1, 0.00312094/step Wall: 14134.1, 0.00312094/step, 0.259905 hours remaining, 208.570312 MB of memory in use. ENERGY: 4700200 748.0229 2099.1878 1903.8643 111.3377 -206389.3902 17817.4794 0.0000 0.0000 34037.1812 -149672.3169 297.2552 -183709.4980 -149570.1356 297.9988 69.9590 101.7363 556568.3799 -0.7148 -0.5610 LDB: ============= START OF LOAD BALANCING ============== 14137.6 LDB: ============== END OF LOAD BALANCING =============== 14137.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14137.6 LDB: ============= START OF LOAD BALANCING ============== 14137.9 LDB: Largest compute 4820 load 0.027944 is 23.7% of average load 0.118128 LDB: Average compute 0.001738 is 1.5% of average load 0.118128 LDB: TIME 14137.9 LOAD: AVG 0.118128 MAX 0.217695 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.73 MB LDB: TIME 14137.9 LOAD: AVG 0.118128 MAX 0.217695 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.73 MB LDB: TIME 14137.9 LOAD: AVG 0.118128 MAX 0.217695 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.73 MB LDB: ============== END OF LOAD BALANCING =============== 14137.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14137.9 PRESSURE: 4700400 -169.572 -55.1643 69.5036 -55.1631 130.68 -31.0057 69.5039 -31.0044 -200.799 GPRESSURE: 4700400 -68.6955 -84.702 26.5798 -47.6671 119.545 118.067 59.3957 -136.708 -198.783 PRESSAVG: 4700400 93.028 -17.4408 24.7057 -17.4408 19.226 12.417 24.7058 12.4169 -64.3522 GPRESSAVG: 4700400 92.6003 -18.9321 23.5898 -17.9105 19.4709 12.4183 23.5608 10.9593 -64.1498 TIMING: 4700400 CPU: 14134.7, 0.00310416/step Wall: 14134.7, 0.00310416/step, 0.258335 hours remaining, 207.785156 MB of memory in use. ENERGY: 4700400 778.1198 2097.0600 1932.0557 107.2829 -206365.4757 17829.6359 0.0000 0.0000 34249.7726 -149371.5489 299.1118 -183621.3215 -149276.5851 298.0806 -79.8969 -49.3109 557868.5473 15.9673 15.9738 PRESSURE: 4700600 52.3454 -121.929 312.179 -121.93 264.377 151.926 312.178 151.927 -36.0548 GPRESSURE: 4700600 125.602 -78.8368 358.232 -95.763 223.393 131.94 302.25 59.8809 27.3998 PRESSAVG: 4700600 12.3099 -26.0258 33.8089 -26.0259 54.8773 -19.6447 33.8089 -19.6445 -62.7935 GPRESSAVG: 4700600 12.316 -26.0084 33.5781 -26.1819 55.7112 -19.2595 36.0593 -18.043 -63.452 TIMING: 4700600 CPU: 14135.4, 0.00304713/step Wall: 14135.4, 0.00304713/step, 0.25342 hours remaining, 208.027344 MB of memory in use. ENERGY: 4700600 712.8588 2141.7866 1947.3272 129.9808 -206605.8647 18112.7745 0.0000 0.0000 34213.7186 -149347.4183 298.7969 -183561.1369 -149250.0667 299.5651 93.5560 125.4651 557637.3217 1.4646 1.5251 PRESSURE: 4700800 -94.7621 7.11687 -25.5248 7.11585 -253.036 22.8917 -25.5246 22.8915 194.784 GPRESSURE: 4700800 -58.5866 75.5439 48.7703 -1.93125 -177.434 45.059 -79.3745 4.75057 179.36 PRESSAVG: 4700800 -1.13099 -27.2892 20.3248 -27.2893 49.4427 16.4699 20.3248 16.47 -78.1735 GPRESSAVG: 4700800 -2.10521 -26.342 23.4081 -26.6291 49.3224 15.0424 15.7217 17.9622 -77.7851 TIMING: 4700800 CPU: 14136, 0.00304605/step Wall: 14136, 0.00304605/step, 0.253161 hours remaining, 208.027344 MB of memory in use. ENERGY: 4700800 755.9008 2103.4493 1953.0953 107.6501 -206372.6791 17787.6580 0.0000 0.0000 34337.3768 -149327.5488 299.8769 -183664.9256 -149231.1036 299.1086 -51.0047 -18.8869 556494.0966 -9.9539 -10.1893 PRESSURE: 4701000 -76.3746 -114.11 165.862 -114.111 -155.9 24.2728 165.864 24.2722 162.536 GPRESSURE: 4701000 -40.6739 -91.3375 237.715 -113.711 -99.6415 89.9785 104.379 13.1873 172.366 PRESSAVG: 4701000 -56.786 -24.8164 18.0504 -24.8164 51.3758 -16.3667 18.0505 -16.3668 43.9484 GPRESSAVG: 4701000 -56.9534 -26.3978 17.8847 -24.8237 50.4447 -17.0453 19.4578 -18.3312 45.2109 TIMING: 4701000 CPU: 14136.6, 0.00301857/step Wall: 14136.6, 0.00301857/step, 0.250709 hours remaining, 208.082031 MB of memory in use. ENERGY: 4701000 781.2392 2070.9708 1920.7143 133.4735 -206460.9337 17890.9628 0.0000 0.0000 34248.4982 -149415.0749 299.1007 -183663.5731 -149328.1098 299.2930 -23.2461 10.6836 556843.6863 12.8461 12.9007 PRESSURE: 4701200 -279.442 -117.337 -28.2445 -117.336 -73.449 15.367 -28.2443 15.3662 76.3525 GPRESSURE: 4701200 -166.957 17.037 -67.4363 -173.85 -71.162 -5.28971 -107.67 17.9304 56.7457 PRESSAVG: 4701200 -109.645 -32.3995 44.385 -32.3995 20.9017 -8.63564 44.385 -8.63572 78.7913 GPRESSAVG: 4701200 -109.973 -30.4635 42.8532 -33.3372 22.4357 -6.62546 44.9573 -9.07828 77.5573 TIMING: 4701200 CPU: 14137.2, 0.00304404/step Wall: 14137.2, 0.00304404/step, 0.252656 hours remaining, 208.082031 MB of memory in use. ENERGY: 4701200 731.8709 2110.5636 1937.6704 116.5656 -206310.3890 17706.4134 0.0000 0.0000 34362.7642 -149344.5408 300.0986 -183707.3050 -149245.5344 298.6027 -92.1796 -60.4578 557507.6697 -3.3174 -3.3268 PRESSURE: 4701400 -156.392 171.67 -50.8757 171.671 -147.13 47.8985 -50.8756 47.8985 -21.6301 GPRESSURE: 4701400 -126.112 239.059 -56.2075 149.737 -113.06 -36.1381 -56.4884 77.0891 4.41842 PRESSAVG: 4701400 -33.774 -24.205 20.692 -24.205 -27.5365 -28.6554 20.692 -28.6555 41.2622 GPRESSAVG: 4701400 -32.8883 -24.4144 20.8321 -23.5133 -28.3425 -29.0246 19.1693 -28.3255 40.3649 TIMING: 4701400 CPU: 14137.8, 0.00303109/step Wall: 14137.8, 0.00303109/step, 0.251412 hours remaining, 208.082031 MB of memory in use. ENERGY: 4701400 758.0838 2119.4358 1923.1215 110.2828 -206146.9725 17522.2882 0.0000 0.0000 34326.5552 -149387.2052 299.7823 -183713.7604 -149287.8260 299.3512 -108.3843 -78.2512 556330.2391 -6.6828 -6.9553 PRESSURE: 4701600 -37.9372 73.9322 -114.724 73.9332 58.3668 -30.8233 -114.725 -30.8222 82.477 GPRESSURE: 4701600 -32.6192 136.841 -118.526 77.4504 75.8538 -73.4243 -96.2916 14.1194 158.967 PRESSAVG: 4701600 -42.0454 37.5612 -10.9868 37.5612 -7.27052 61.4259 -10.9869 61.426 72.2383 GPRESSAVG: 4701600 -42.7028 37.8993 -10.227 36.3893 -7.2024 60.8281 -10.5187 61.8726 72.6798 TIMING: 4701600 CPU: 14138.4, 0.00304541/step Wall: 14138.4, 0.00304541/step, 0.252431 hours remaining, 208.082031 MB of memory in use. ENERGY: 4701600 733.0302 2085.3678 1923.7660 110.7413 -206399.6632 17944.2708 0.0000 0.0000 34171.1506 -149431.3365 298.4252 -183602.4871 -149338.6895 298.6458 34.3022 67.4007 557496.6963 7.6408 7.5916 PRESSURE: 4701800 -169.588 -16.7431 161.04 -16.7427 26.4544 -2.97784 161.039 -2.97931 179.12 GPRESSURE: 4701800 -118.631 24.3756 187.017 -19.4469 59.5034 -1.55462 169.268 11.7225 192.815 PRESSAVG: 4701800 -45.9439 30.634 -1.72051 30.634 42.6575 13.5208 -1.72052 13.5209 23.2798 GPRESSAVG: 4701800 -45.6094 31.5993 -2.77616 29.6679 42.009 15.0188 -1.55797 12.4545 24.1198 TIMING: 4701800 CPU: 14139, 0.00306217/step Wall: 14139, 0.00306217/step, 0.25365 hours remaining, 208.082031 MB of memory in use. ENERGY: 4701800 747.0375 2098.4986 1962.8371 112.5757 -206335.7757 17755.6439 0.0000 0.0000 34288.1490 -149371.0340 299.4469 -183659.1830 -149276.6862 299.3024 11.9953 44.5624 557484.8437 6.6645 6.8398 PRESSURE: 4702000 140.744 41.0678 15.2136 41.0673 -210.661 123.103 15.214 123.102 164.526 GPRESSURE: 4702000 131.505 30.0453 -7.21459 58.1474 -142.973 64.6333 -18.6411 142.057 215.28 PRESSAVG: 4702000 30.4057 40.2787 -30.2766 40.2786 -92.7412 17.2777 -30.2767 17.2777 10.3857 GPRESSAVG: 4702000 29.7595 38.3713 -28.4895 42.2313 -92.5457 15.6783 -30.7837 19.0077 10.5473 TIMING: 4702000 CPU: 14139.6, 0.00305517/step Wall: 14139.6, 0.00305517/step, 0.2529 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: 4702000 726.6429 2152.0690 1958.7111 106.4453 -206276.0736 17890.6007 0.0000 0.0000 34198.1219 -149243.4826 298.6607 -183441.6045 -149148.8837 299.9090 31.5363 67.9373 558002.8750 -17.3166 -17.4130 PRESSURE: 4702200 -330.955 35.9055 -20.4536 35.9058 -91.687 -72.7387 -20.4543 -72.738 -319.445 GPRESSURE: 4702200 -276.742 -11.4455 49.0668 81.7784 -46.9565 -75.6653 -76.5798 -31.0144 -326.721 PRESSAVG: 4702200 -32.909 40.825 17.6958 40.825 -49.0363 27.3552 17.6959 27.3552 51.3647 GPRESSAVG: 4702200 -32.9884 42.7688 16.0492 38.824 -48.258 28.0659 18.9005 24.0879 50.6977 TIMING: 4702200 CPU: 14140.2, 0.00305501/step Wall: 14140.2, 0.00305501/step, 0.252717 hours remaining, 208.082031 MB of memory in use. ENERGY: 4702200 742.8715 2146.9739 1953.0663 117.4823 -205717.2980 17356.7964 0.0000 0.0000 34095.9723 -149304.1353 297.7686 -183400.1075 -149206.6786 299.4120 -247.3624 -216.8066 558656.3999 -10.1935 -10.1829 PRESSURE: 4702400 -256.882 81.4405 71.7808 81.4421 179.319 22.9274 71.7807 22.9278 -159.637 GPRESSURE: 4702400 -210.803 76.7089 45.0122 71.5339 168.063 107.814 107.974 22.2344 -80.4492 PRESSAVG: 4702400 -23.7097 -6.62028 4.30785 -6.62033 55.6312 -16.1497 4.3078 -16.1498 -8.32654 GPRESSAVG: 4702400 -22.7337 -7.7883 4.87804 -5.05131 55.0487 -15.8215 2.52829 -13.7528 -9.14438 TIMING: 4702400 CPU: 14140.8, 0.00306061/step Wall: 14140.8, 0.00306061/step, 0.25301 hours remaining, 208.082031 MB of memory in use. ENERGY: 4702400 755.4994 2110.4237 1935.2024 113.5630 -206299.3120 17690.6475 0.0000 0.0000 34459.5674 -149234.4086 300.9440 -183693.9760 -149131.2000 299.5381 -79.0669 -41.0630 556918.6344 7.8650 7.7235 PRESSURE: 4702600 -260.466 -117.01 35.3901 -117.009 41.2276 -142.38 35.3918 -142.379 -9.38086 GPRESSURE: 4702600 -182.485 -88.7123 93.269 -152.439 82.0803 -118.037 130.484 -121.163 -31.3745 PRESSAVG: 4702600 0.639952 -16.6141 11.6211 -16.6142 42.0773 58.419 11.6212 58.419 -40.015 GPRESSAVG: 4702600 -0.00187513 -16.9789 11.1334 -15.525 41.3903 58.3757 14.435 55.9693 -39.5326 TIMING: 4702600 CPU: 14141.4, 0.00304486/step Wall: 14141.4, 0.00304486/step, 0.251539 hours remaining, 208.082031 MB of memory in use. ENERGY: 4702600 754.1264 2076.3484 1965.4452 113.6178 -206193.9250 17709.8557 0.0000 0.0000 34288.4974 -149286.0340 299.4500 -183574.5314 -149192.8063 299.5171 -76.2063 -43.9264 558292.7053 0.9007 0.6186 PRESSURE: 4702800 -81.4816 -30.0104 -60.3036 -30.0106 166.531 22.1227 -60.3037 22.1224 -101.59 GPRESSURE: 4702800 -45.7066 -13.4543 -19.8774 -10.5048 189.601 -36.5651 -121.694 87.8234 -58.1904 PRESSAVG: 4702800 -30.1318 -12.1307 8.38973 -12.1307 34.0827 24.9488 8.38977 24.9487 -7.86482 GPRESSAVG: 4702800 -28.9481 -9.8843 8.26893 -14.4584 33.774 25.2636 7.12713 26.8822 -8.34314 TIMING: 4702800 CPU: 14142.1, 0.00304374/step Wall: 14142.1, 0.00304374/step, 0.251278 hours remaining, 208.082031 MB of memory in use. ENERGY: 4702800 773.8831 2077.4486 1926.8776 132.1455 -206546.5848 17916.1047 0.0000 0.0000 34300.1514 -149419.9739 299.5518 -183720.1253 -149321.2939 299.0172 -5.5135 28.5680 557693.0001 -1.3046 -1.1724 PRESSURE: 4703000 -5.2862 16.75 189.923 16.7488 -11.191 59.0094 189.923 59.0099 16.534 GPRESSURE: 4703000 17.9939 122.361 170.862 -37.0484 57.6347 140.96 218.643 56.0779 21.5673 PRESSAVG: 4703000 -7.6478 -7.26841 21.7461 -7.26838 -26.0393 -1.40417 21.7461 -1.40419 51.7368 GPRESSAVG: 4703000 -8.80343 -9.27102 22.5723 -7.9686 -24.1181 -1.74566 20.9434 -2.03644 51.5532 TIMING: 4703000 CPU: 14142.7, 0.00305043/step Wall: 14142.7, 0.00305043/step, 0.251661 hours remaining, 208.082031 MB of memory in use. ENERGY: 4703000 783.9866 2139.1596 1920.7576 110.9167 -206464.0448 17840.1974 0.0000 0.0000 34137.1974 -149531.8296 298.1286 -183669.0270 -149435.3341 298.3235 0.0190 32.3986 556057.5177 6.0166 6.2106 PRESSURE: 4703200 248.827 -227.661 -10.722 -227.661 -22.3665 -56.2219 -10.7207 -56.2232 -25.0751 GPRESSURE: 4703200 299.671 -235.372 75.0867 -200.011 -2.33295 -56.3847 -18.6101 -11.4629 2.66379 PRESSAVG: 4703200 24.276 15.2935 7.39051 15.2935 -9.04145 18.551 7.39047 18.551 -30.7789 GPRESSAVG: 4703200 23.8477 16.1175 6.94542 18.143 -9.90394 18.0368 8.32534 19.2971 -29.9993 TIMING: 4703200 CPU: 14143.3, 0.00307817/step Wall: 14143.3, 0.00307817/step, 0.253778 hours remaining, 208.082031 MB of memory in use. ENERGY: 4703200 753.9026 2102.6277 1933.7177 116.0482 -206436.9986 17956.6321 0.0000 0.0000 34083.0743 -149490.9959 297.6560 -183574.0703 -149392.5311 298.2534 67.1286 100.0006 557211.3312 -5.1815 -5.3519 PRESSURE: 4703400 70.3643 -85.4309 -76.6219 -85.4319 53.3411 41.432 -76.6225 41.4323 -202.743 GPRESSURE: 4703400 157.673 -79.8277 -93.3618 0.0277659 52.8131 -0.753196 -66.5211 51.7684 -195.537 PRESSAVG: 4703400 64.6193 -5.02 18.9424 -5.02 -2.21226 0.498714 18.9424 0.498662 -79.3905 GPRESSAVG: 4703400 65.2186 -6.1923 17.8324 -6.07568 -2.97898 -0.852045 18.5132 -0.00353513 -79.3601 TIMING: 4703400 CPU: 14143.9, 0.00305054/step Wall: 14143.9, 0.00305054/step, 0.251331 hours remaining, 208.082031 MB of memory in use. ENERGY: 4703400 769.4988 2066.7147 1931.2423 110.7542 -206476.7163 17773.4945 0.0000 0.0000 34304.2767 -149520.7351 299.5878 -183825.0118 -149423.1959 298.4493 -26.3459 4.9830 556449.8903 -5.6612 -5.7068 PRESSURE: 4703600 369.151 -76.9296 -207.988 -76.9306 -0.788433 -9.84031 -207.989 -9.83955 80.243 GPRESSURE: 4703600 392.289 -128.467 -188.701 -84.4757 -8.17276 44.4713 -149.99 4.59563 164.228 PRESSAVG: 4703600 67.8864 -5.42267 -4.79216 -5.42267 -15.3588 2.40754 -4.7921 2.40744 -25.7192 GPRESSAVG: 4703600 67.9905 -6.05992 -5.75079 -4.8636 -16.0136 4.2191 -3.51283 2.857 -25.2333 TIMING: 4703600 CPU: 14144.5, 0.00303267/step Wall: 14144.5, 0.00303267/step, 0.24969 hours remaining, 208.082031 MB of memory in use. ENERGY: 4703600 728.2606 2069.9091 1934.1868 122.7324 -206817.9178 18089.2384 0.0000 0.0000 34445.1637 -149428.4268 300.8182 -183873.5905 -149327.4558 299.2305 149.5351 182.7815 556221.2293 8.9361 8.9145 PRESSURE: 4703800 -175.19 -52.0182 -197.434 -52.0171 -172.815 251.275 -197.434 251.276 -439.169 GPRESSURE: 4703800 -138.141 -43.2389 -115.337 11.5774 -162.941 189.051 -221.647 267.734 -391.715 PRESSAVG: 4703800 42.2405 -51.7468 -68.2088 -51.7467 33.5024 49.56 -68.2089 49.5599 -8.13609 GPRESSAVG: 4703800 41.5368 -51.8965 -65.7806 -52.0133 34.1615 45.7014 -69.7513 50.7084 -7.89006 TIMING: 4703800 CPU: 14145.1, 0.00303863/step Wall: 14145.1, 0.00303863/step, 0.250012 hours remaining, 208.082031 MB of memory in use. ENERGY: 4703800 749.8346 2133.9612 1938.5155 106.2330 -206037.1313 17469.4261 0.0000 0.0000 34015.0997 -149624.0614 297.0623 -183639.1611 -149534.3074 299.4038 -262.3911 -230.9322 556364.7765 22.5356 22.6027 PRESSURE: 4704000 102.973 72.812 120.224 72.8116 291.274 -54.2871 120.225 -54.2877 273.348 GPRESSURE: 4704000 168.288 94.2426 78.5533 63.1954 283.057 -130.254 140.261 -49.1044 326.209 PRESSAVG: 4704000 5.14172 -20.7497 -27.0336 -20.7497 58.6838 1.81684 -27.0337 1.81682 -75.7413 GPRESSAVG: 4704000 4.83528 -20.0662 -28.9406 -22.3457 58.4198 5.1672 -26.3697 0.877868 -75.3695 TIMING: 4704000 CPU: 14145.7, 0.00303862/step Wall: 14145.7, 0.00303862/step, 0.249842 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: 4704000 757.0609 2119.9807 1907.5551 105.7692 -206846.0981 18198.3118 0.0000 0.0000 34236.6082 -149520.8123 298.9968 -183757.4205 -149421.5116 298.3191 222.5316 259.1844 556076.1536 -3.9719 -4.0381 PRESSURE: 4704200 -291.439 -32.5635 107.802 -32.5638 -187.048 -134.637 107.802 -134.636 20.8067 GPRESSURE: 4704200 -267.293 -46.2023 117.282 -38.6541 -168.361 -158.056 74.4035 -168.897 69.0224 PRESSAVG: 4704200 -32.3817 -33.0898 42.9332 -33.0898 21.5409 -45.8815 42.9331 -45.8816 -14.962 GPRESSAVG: 4704200 -32.0807 -30.22 43.0747 -33.0606 22.1627 -46.4247 43.1686 -46.9098 -16.0638 TIMING: 4704200 CPU: 14146.3, 0.00303245/step Wall: 14146.3, 0.00303245/step, 0.249166 hours remaining, 208.082031 MB of memory in use. ENERGY: 4704200 759.5594 2054.2112 1959.1279 106.4126 -206090.4443 17599.3879 0.0000 0.0000 34232.6275 -149379.1177 298.9621 -183611.7453 -149287.1299 298.4181 -152.5601 -122.2103 558136.3303 -8.6009 -8.6606 LDB: ============= START OF LOAD BALANCING ============== 14149.8 LDB: ============== END OF LOAD BALANCING =============== 14149.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14149.8 LDB: ============= START OF LOAD BALANCING ============== 14150.1 LDB: Largest compute 4820 load 0.029690 is 25.1% of average load 0.118134 LDB: Average compute 0.001741 is 1.5% of average load 0.118134 LDB: TIME 14150.1 LOAD: AVG 0.118134 MAX 0.214791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.207 MB LDB: TIME 14150.1 LOAD: AVG 0.118134 MAX 0.214791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.41 MB LDB: TIME 14150.1 LOAD: AVG 0.118134 MAX 0.214791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.41 MB LDB: ============== END OF LOAD BALANCING =============== 14150.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14150.1 PRESSURE: 4704400 93.8086 -41.4918 79.8321 -41.4914 211.424 -68.0261 79.8315 -68.0245 166.865 GPRESSURE: 4704400 167.201 33.0639 148.571 -26.9699 217.036 -72.4734 91.8012 -108.803 188.13 PRESSAVG: 4704400 -33.9519 8.81635 37.2977 8.81636 15.3746 -23.1731 37.2977 -23.1731 -33.0799 GPRESSAVG: 4704400 -34.8472 9.34999 37.6952 8.03944 15.3844 -23.4492 36.6546 -21.8923 -32.4928 TIMING: 4704400 CPU: 14146.9, 0.00310386/step Wall: 14146.9, 0.00310386/step, 0.254861 hours remaining, 208.046875 MB of memory in use. ENERGY: 4704400 711.2692 2111.0663 1943.2329 113.3362 -206503.2589 18085.3553 0.0000 0.0000 34190.8449 -149348.1540 298.5972 -183538.9989 -149250.1912 298.9515 157.3661 190.7889 556844.8069 -17.2191 -17.3185 PRESSURE: 4704600 -48.1822 -19.9102 -135.82 -19.9103 -37.8448 16.6147 -135.821 16.6141 235.842 GPRESSURE: 4704600 -17.1344 -73.2326 -176.191 57.4317 5.40715 80.1325 -115.651 -12.1211 252.056 PRESSAVG: 4704600 2.02699 5.5769 -27.4399 5.577 12.2467 39.4071 -27.44 39.4071 -49.3978 GPRESSAVG: 4704600 3.64198 2.99071 -28.3253 5.84473 11.8491 41.2385 -27.7648 38.0396 -50.6224 TIMING: 4704600 CPU: 14147.5, 0.00302006/step Wall: 14147.5, 0.00302006/step, 0.247813 hours remaining, 208.046875 MB of memory in use. ENERGY: 4704600 770.6031 2142.4937 1951.4174 116.1189 -206464.8294 17909.6267 0.0000 0.0000 34293.1572 -149281.4124 299.4907 -183574.5696 -149183.3282 298.1542 49.9384 80.1097 556256.7422 -11.7080 -11.7104 PRESSURE: 4704800 25.1795 26.1963 129.067 26.1957 22.5552 128.315 129.067 128.315 -59.5398 GPRESSURE: 4704800 -17.8957 -65.4814 130.775 -35.1823 38.327 33.7366 128.574 158.873 52.7532 PRESSAVG: 4704800 -29.3676 15.1266 -11.6803 15.1266 59.1924 2.17428 -11.6803 2.17437 27.9263 GPRESSAVG: 4704800 -30.5439 14.3907 -12.3914 16.3924 58.2584 1.46324 -8.90981 3.18123 30.0273 TIMING: 4704800 CPU: 14148.1, 0.00300792/step Wall: 14148.1, 0.00300792/step, 0.24665 hours remaining, 208.046875 MB of memory in use. ENERGY: 4704800 744.5233 2121.5895 1939.4004 109.8616 -206125.7073 17769.4686 0.0000 0.0000 34258.7495 -149182.1143 299.1902 -183440.8638 -149095.1885 299.2742 -3.9350 24.3949 557025.5008 19.2504 19.2473 PRESSURE: 4705000 -71.977 49.6052 -26.0058 49.6048 27.6998 -58.1465 -26.0061 -58.1469 -80.3567 GPRESSURE: 4705000 -59.4229 41.3694 -3.79337 14.4564 43.3567 -58.1807 -21.5227 -91.563 -9.00141 PRESSAVG: 4705000 -18.4475 0.777962 32.0795 0.777937 65.2469 -31.2818 32.0796 -31.2818 -18.989 GPRESSAVG: 4705000 -18.2006 2.06248 35.1818 -0.359759 65.1293 -32.2212 28.2533 -32.6791 -19.1812 TIMING: 4705000 CPU: 14148.7, 0.00302238/step Wall: 14148.7, 0.00302238/step, 0.247667 hours remaining, 208.046875 MB of memory in use. ENERGY: 4705000 729.1514 2133.3720 1919.1879 109.6975 -205989.5360 17637.0891 0.0000 0.0000 34328.1328 -149132.9054 299.7961 -183461.0382 -149030.4819 299.6035 -41.5446 -8.3559 557921.1674 9.2701 9.2492 PRESSURE: 4705200 -303.437 45.712 115.367 45.7125 -300.62 -74.8618 115.368 -74.8596 -373.405 GPRESSURE: 4705200 -289.845 -68.9641 75.1003 26.7731 -255.84 -50.1067 196.652 -85.3238 -344.07 PRESSAVG: 4705200 -42.9007 0.481923 23.1043 0.481868 20.2465 -58.2348 23.1043 -58.2348 37.9018 GPRESSAVG: 4705200 -42.9692 -1.04506 22.0173 2.72631 20.4595 -56.3176 24.3469 -58.8509 37.6984 TIMING: 4705200 CPU: 14149.4, 0.00304394/step Wall: 14149.4, 0.00304394/step, 0.249265 hours remaining, 208.046875 MB of memory in use. ENERGY: 4705200 810.0616 2136.6022 1943.7921 127.0961 -205830.2503 17405.7186 0.0000 0.0000 34258.2048 -149148.7749 299.1854 -183406.9797 -149052.0384 299.4833 -325.8207 -296.5849 558519.1887 5.0826 5.0629 PRESSURE: 4705400 211.236 -149.947 153.127 -149.947 -300.107 -22.2394 153.127 -22.2399 187.144 GPRESSURE: 4705400 253.801 -120.233 183.671 -238.196 -209.633 -183.551 67.0627 101.698 149.871 PRESSAVG: 4705400 14.9077 -36.4847 -13.507 -36.4848 -9.1496 27.8692 -13.507 27.8692 16.1525 GPRESSAVG: 4705400 15.7691 -35.3852 -14.4451 -35.6543 -9.48688 26.2895 -13.0731 27.2781 15.2056 TIMING: 4705400 CPU: 14150, 0.00307266/step Wall: 14150, 0.00307266/step, 0.251446 hours remaining, 208.046875 MB of memory in use. ENERGY: 4705400 745.8462 2128.7696 1933.9405 130.6621 -205772.9103 17585.8762 0.0000 0.0000 34184.4278 -149063.3880 298.5411 -183247.8158 -148964.5955 300.2309 32.7579 64.6796 555607.2760 7.3035 7.1626 PRESSURE: 4705600 260.237 -10.1533 112.413 -10.1556 59.2717 57.8717 112.413 57.8726 -75.9799 GPRESSURE: 4705600 273.541 -8.52261 94.2705 -52.1531 59.229 15.5147 136.056 59.8285 1.69598 PRESSAVG: 4705600 77.6913 3.99103 0.386032 3.99103 -11.0038 11.1895 0.385969 11.1895 -24.2242 GPRESSAVG: 4705600 77.1338 4.88981 0.519995 3.12735 -11.148 11.2297 2.22894 13.2008 -23.4733 TIMING: 4705600 CPU: 14150.6, 0.00304571/step Wall: 14150.6, 0.00304571/step, 0.249072 hours remaining, 208.046875 MB of memory in use. ENERGY: 4705600 742.7271 2073.0785 1932.7117 114.5323 -206383.2977 17873.4459 0.0000 0.0000 34428.6706 -149218.1316 300.6741 -183646.8022 -149110.3208 298.9266 81.1764 111.4886 555797.2033 14.1544 14.1708 PRESSURE: 4705800 213.704 71.6197 -223.26 71.6203 -168.214 51.2716 -223.26 51.2709 -92.4561 GPRESSURE: 4705800 239.478 11.016 -170.917 54.1815 -98.6071 2.63103 -238.154 53.0289 -93.2082 PRESSAVG: 4705800 30.6665 27.2488 -50.6117 27.2487 -17.3525 -44.87 -50.6117 -44.87 -32.1582 GPRESSAVG: 4705800 29.8308 25.6083 -49.8228 24.4547 -16.7343 -44.6019 -52.0569 -46.4444 -32.0932 TIMING: 4705800 CPU: 14151.2, 0.00303034/step Wall: 14151.2, 0.00303034/step, 0.247646 hours remaining, 208.046875 MB of memory in use. ENERGY: 4705800 720.9205 2094.1826 1962.3150 121.7818 -206010.4178 17658.7714 0.0000 0.0000 34275.3607 -149177.0858 299.3352 -183452.4465 -149085.8556 298.9570 -15.6554 15.8874 556709.4548 -6.2814 -6.3322 PRESSURE: 4706000 204.613 10.9676 -123.859 10.9666 -43.175 15.7227 -123.86 15.7215 55.2258 GPRESSURE: 4706000 200.231 20.9722 -207.253 29.1825 33.2902 47.7173 -94.6095 28.0683 88.9981 PRESSAVG: 4706000 27.0376 -14.7935 -56.2408 -14.7936 -7.8639 -4.58412 -56.2408 -4.5841 -21.8891 GPRESSAVG: 4706000 28.7161 -14.8058 -56.5648 -12.5223 -8.48187 -6.04719 -55.3307 -3.7595 -22.7926 TIMING: 4706000 CPU: 14151.8, 0.0030257/step Wall: 14151.8, 0.0030257/step, 0.247098 hours remaining, 208.046875 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: 4706000 770.6498 2112.8825 1977.5920 106.6913 -206281.5974 18030.2627 0.0000 0.0000 34145.6956 -149137.8236 298.2029 -183283.5192 -149033.9743 299.4940 72.2213 107.5063 558666.7976 -0.9051 -0.8528 PRESSURE: 4706200 0.790303 30.6782 -52.6114 30.6761 -193.385 -12.6039 -52.6121 -12.6037 -123.46 GPRESSURE: 4706200 9.62256 -13.1687 -75.1133 63.5259 -170.68 34.4293 -41.707 -30.2312 -56.9234 PRESSAVG: 4706200 -2.1932 17.7889 -42.921 17.789 68.0392 -7.51611 -42.921 -7.51611 -31.6596 GPRESSAVG: 4706200 -2.27143 19.9095 -42.9325 18.9426 67.0551 -7.29035 -44.4035 -7.94453 -30.8593 TIMING: 4706200 CPU: 14152.4, 0.00304218/step Wall: 14152.4, 0.00304218/step, 0.248276 hours remaining, 208.046875 MB of memory in use. ENERGY: 4706200 776.6869 2138.0268 1927.2977 113.9360 -206201.3998 17952.8446 0.0000 0.0000 34019.4626 -149273.1451 297.1004 -183292.6078 -149179.1676 298.8878 -105.3515 -72.6602 558914.3146 11.3955 11.3081 PRESSURE: 4706400 -336.084 253.187 35.7421 253.188 -96.6673 -116.874 35.7429 -116.876 -277.747 GPRESSURE: 4706400 -336.534 258.755 60.2253 224.933 -15.9944 -124.925 145.06 -155.425 -256.159 PRESSAVG: 4706400 -15.6135 -25.1738 -41.1175 -25.1738 13.9221 25.7837 -41.1175 25.7835 0.452113 GPRESSAVG: 4706400 -17.0491 -25.359 -40.7639 -26.3581 14.0914 25.4954 -40.042 27.3665 1.05991 TIMING: 4706400 CPU: 14153, 0.00302945/step Wall: 14153, 0.00302945/step, 0.247068 hours remaining, 208.046875 MB of memory in use. ENERGY: 4706400 745.9956 2087.4651 1929.2391 122.2833 -205951.4990 17460.3980 0.0000 0.0000 34326.7902 -149279.3277 299.7844 -183606.1180 -149176.9027 299.3475 -236.8328 -202.8958 559321.5237 -0.4131 -0.6326 PRESSURE: 4706600 -77.1648 7.30199 -141.123 7.30113 145.568 -134.315 -141.124 -134.316 139.16 GPRESSURE: 4706600 -2.65743 72.2854 -154.893 -70.8797 146.993 -151.372 -85.7236 -147.859 165.179 PRESSAVG: 4706600 15.8213 25.3435 4.99527 25.3435 13.7923 -40.2431 4.99529 -40.2432 16.1424 GPRESSAVG: 4706600 16.1511 24.3911 4.18917 27.51 14.5425 -38.6843 6.23354 -41.4799 15.5628 TIMING: 4706600 CPU: 14153.6, 0.00302443/step Wall: 14153.6, 0.00302443/step, 0.246491 hours remaining, 208.046875 MB of memory in use. ENERGY: 4706600 744.7622 2099.2120 1923.4000 120.7542 -206608.8215 18132.0954 0.0000 0.0000 34220.8482 -149367.7494 298.8592 -183588.5976 -149273.7214 298.9862 69.1878 103.1718 558321.4263 15.2520 15.4188 PRESSURE: 4706800 402.05 -26.7788 -171.605 -26.7783 -178.824 15.5488 -171.606 15.5479 -36.366 GPRESSURE: 4706800 402.199 -37.7319 -61.3873 6.78845 -147.792 5.8962 -198.361 28.8788 23.3539 PRESSAVG: 4706800 10.7663 -16.2469 -13.7474 -16.2469 -2.08017 -6.32412 -13.7474 -6.32421 -56.2892 GPRESSAVG: 4706800 11.275 -18.2669 -12.4714 -17.9196 -2.00202 -6.64826 -16.015 -4.80438 -57.0439 TIMING: 4706800 CPU: 14154.2, 0.00303617/step Wall: 14154.2, 0.00303617/step, 0.24728 hours remaining, 208.046875 MB of memory in use. ENERGY: 4706800 773.4639 2083.9538 1905.4613 105.6571 -206117.9155 18026.8842 0.0000 0.0000 33931.4796 -149291.0156 296.3321 -183222.4952 -149197.9581 298.2175 62.2867 92.5872 559260.2947 -15.8677 -15.9236 PRESSURE: 4707000 -269.563 9.71152 178.403 9.71192 -282.044 -186.947 178.403 -186.948 -268.673 GPRESSURE: 4707000 -270.744 -1.96747 87.8688 0.839972 -189.543 -219.346 160.048 -170.224 -249.21 PRESSAVG: 4707000 49.9933 37.2182 -14.7697 37.2182 -49.0263 -42.8999 -14.7698 -42.9 32.7658 GPRESSAVG: 4707000 50.2603 39.0335 -16.106 37.3714 -49.0409 -43.2269 -14.179 -44.1111 32.2985 TIMING: 4707000 CPU: 14154.8, 0.00303056/step Wall: 14154.8, 0.00303056/step, 0.246654 hours remaining, 208.046875 MB of memory in use. ENERGY: 4707000 743.5110 2055.6733 1930.8188 107.4943 -205929.4939 17493.9731 0.0000 0.0000 34441.3187 -149156.7048 300.7846 -183598.0235 -149063.4847 298.2246 -273.4265 -236.4992 560481.9573 11.2443 11.1726 PRESSURE: 4707200 73.9096 -102.159 5.76515 -102.158 39.7545 192.069 5.7644 192.07 130.664 GPRESSURE: 4707200 158.488 -129.409 89.0897 -80.9242 49.208 100.124 -23.3385 134.016 138.522 PRESSAVG: 4707200 10.9327 -19.9455 0.590281 -19.9454 -38.0704 -1.77046 0.590226 -1.77048 -5.44165 GPRESSAVG: 4707200 11.2958 -20.5993 -0.575935 -20.2912 -39.155 -0.910348 1.99941 -1.67421 -4.31003 TIMING: 4707200 CPU: 14155.4, 0.00302597/step Wall: 14155.4, 0.00302597/step, 0.246113 hours remaining, 208.046875 MB of memory in use. ENERGY: 4707200 717.1751 2109.7059 1913.2892 114.3218 -206098.7645 17741.6930 0.0000 0.0000 34169.3962 -149333.1833 298.4098 -183502.5795 -149235.9184 298.6538 81.4428 115.4060 558078.5361 -10.8598 -10.7231 PRESSURE: 4707400 70.1517 57.6039 63.3812 57.6029 102.781 -150.881 63.38 -150.882 313.323 GPRESSURE: 4707400 127.443 60.5937 0.143465 95.3183 106.89 -122.537 166.743 -87.359 352.125 PRESSAVG: 4707400 -90.3284 7.49191 6.86658 7.49188 27.933 42.2885 6.86657 42.2886 27.8595 GPRESSAVG: 4707400 -90.4636 9.50344 7.16935 6.21095 28.6662 42.2199 7.20497 42.5172 27.795 TIMING: 4707400 CPU: 14156, 0.00302346/step Wall: 14156, 0.00302346/step, 0.24574 hours remaining, 208.046875 MB of memory in use. ENERGY: 4707400 703.9988 2088.4875 1939.1124 109.3307 -206291.7303 17970.7505 0.0000 0.0000 34178.4714 -149301.5789 298.4891 -183480.0503 -149209.0644 298.3032 162.0853 195.4862 556892.3404 -11.5120 -11.3341 PRESSURE: 4707600 198.858 37.3219 -45.2816 37.3221 87.4682 114.991 -45.2809 114.99 162.873 GPRESSURE: 4707600 191.244 113.142 -38.8444 13.8463 143.673 44.3957 -56.1126 122.824 214.848 PRESSAVG: 4707600 63.5851 -33.4513 12.793 -33.4514 -53.8187 -14.4156 12.7929 -14.4154 5.41436 GPRESSAVG: 4707600 63.4422 -36.1727 14.4918 -32.3275 -53.6319 -13.2167 10.4604 -13.968 4.97054 TIMING: 4707600 CPU: 14156.6, 0.00301668/step Wall: 14156.6, 0.00301668/step, 0.245021 hours remaining, 208.046875 MB of memory in use. ENERGY: 4707600 772.1462 2058.6008 1960.5126 110.2476 -206922.3672 18205.4773 0.0000 0.0000 34443.1809 -149372.2020 300.8009 -183815.3829 -149274.4675 298.6673 149.7329 183.2548 556497.1841 5.0602 4.9269 PRESSURE: 4707800 -56.2589 -53.2626 29.5315 -53.2627 -175.758 -2.15131 29.5319 -2.15156 48.4842 GPRESSURE: 4707800 -47.3709 -75.9331 26.5036 -17.283 -139.521 21.2881 44.3602 90.2575 116.613 PRESSAVG: 4707800 -19.6597 -54.0911 8.57025 -54.0911 45.9383 39.5068 8.57022 39.5068 8.10261 GPRESSAVG: 4707800 -19.9979 -54.2284 4.12039 -55.4808 45.9179 38.4691 10.2889 39.0831 8.7146 TIMING: 4707800 CPU: 14157.2, 0.00302102/step Wall: 14157.2, 0.00302102/step, 0.245206 hours remaining, 208.046875 MB of memory in use. ENERGY: 4707800 744.0222 2092.1735 1966.8261 123.9149 -206331.8140 17750.8869 0.0000 0.0000 34177.2007 -149476.7897 298.4780 -183653.9904 -149373.7722 298.3152 -61.1776 -23.4262 559054.0322 11.4604 11.5449 PRESSURE: 4708000 -68.943 68.9143 34.1301 68.914 -66.8015 119.972 34.1294 119.972 -56.0861 GPRESSURE: 4708000 -28.9394 35.6854 182.723 89.8745 -29.801 107.425 -25.2678 115.517 -36.6703 PRESSAVG: 4708000 73.5276 -9.36343 -47.4881 -9.36338 -56.9343 -13.495 -47.488 -13.495 -28.851 GPRESSAVG: 4708000 73.0014 -8.64923 -44.0804 -8.76151 -57.0676 -16.4001 -49.8278 -12.6371 -28.2592 TIMING: 4708000 CPU: 14157.8, 0.00302113/step Wall: 14157.8, 0.00302113/step, 0.245047 hours remaining, 208.046875 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: 4708000 755.0980 2119.5914 1946.8981 114.2787 -206319.0145 17931.9019 0.0000 0.0000 34006.2311 -149445.0153 296.9849 -183451.2464 -149344.0945 298.6674 -63.9435 -31.8036 558498.9119 -4.0859 -4.1085 PRESSURE: 4708200 -54.1642 275.07 -12.4513 275.07 -26.4777 -128.883 -12.4517 -128.882 -52.3793 GPRESSURE: 4708200 -71.2211 216.571 -30.0981 303.434 13.5524 -93.7503 -30.1654 -109.096 11.6824 PRESSAVG: 4708200 62.6789 56.6234 4.68117 56.6234 -5.90581 12.2288 4.68114 12.2289 -44.3062 GPRESSAVG: 4708200 62.9669 57.2143 2.62185 58.0125 -4.85067 13.7159 5.18953 12.5618 -45.7577 TIMING: 4708200 CPU: 14158.4, 0.00301176/step Wall: 14158.4, 0.00301176/step, 0.24412 hours remaining, 208.046875 MB of memory in use. ENERGY: 4708200 716.1003 2097.3691 1920.4471 124.8573 -206260.1502 17822.5517 0.0000 0.0000 34116.6383 -149462.1863 297.9491 -183578.8247 -149373.2346 298.3787 -44.3404 -15.3287 557975.2971 4.1557 4.1195 LDB: ============= START OF LOAD BALANCING ============== 14161.9 LDB: ============== END OF LOAD BALANCING =============== 14161.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14161.9 LDB: ============= START OF LOAD BALANCING ============== 14162.2 LDB: Largest compute 4820 load 0.029660 is 25.1% of average load 0.118088 LDB: Average compute 0.001745 is 1.5% of average load 0.118088 LDB: TIME 14162.2 LOAD: AVG 0.118088 MAX 0.214429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.207 MB LDB: TIME 14162.2 LOAD: AVG 0.118088 MAX 0.214429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.207 MB LDB: TIME 14162.2 LOAD: AVG 0.118088 MAX 0.214429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.207 MB LDB: ============== END OF LOAD BALANCING =============== 14162.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14162.2 PRESSURE: 4708400 131.072 23.6032 12.3742 23.6029 -36.9803 11.4928 12.3739 11.4901 -168.352 GPRESSURE: 4708400 96.0611 18.7902 52.1057 -7.68174 41.752 -13.8337 27.2739 -15.8325 -117.323 PRESSAVG: 4708400 27.5783 -16.3566 -0.0456424 -16.3566 -66.4671 -40.3249 -0.0455413 -40.325 58.067 GPRESSAVG: 4708400 28.0036 -17.416 0.0304867 -17.9433 -67.797 -40.0676 2.39895 -40.5194 59.3373 TIMING: 4708400 CPU: 14159.1, 0.00309775/step Wall: 14159.1, 0.00309775/step, 0.250918 hours remaining, 209.523438 MB of memory in use. ENERGY: 4708400 755.6651 2114.2608 1929.8346 105.4139 -206296.8490 17911.3068 0.0000 0.0000 34145.0755 -149335.2924 298.1974 -183480.3679 -149233.0785 298.8854 -24.7534 6.8300 557451.6276 6.3927 6.5146 PRESSURE: 4708600 -32.4665 -5.26503 -29.0148 -5.26519 -111.921 -76.792 -29.0151 -76.7922 -169.582 GPRESSURE: 4708600 5.82546 -30.0844 -66.6629 50.5536 -75.0031 -41.9986 -70.3827 -130.299 -152.71 PRESSAVG: 4708600 -48.9018 -67.5572 -45.3888 -67.5572 28.0256 -75.3118 -45.3889 -75.3118 52.4704 GPRESSAVG: 4708600 -48.3187 -67.3896 -45.0767 -68.0088 28.4105 -73.0483 -46.5761 -76.5468 51.9776 TIMING: 4708600 CPU: 14159.7, 0.0030384/step Wall: 14159.7, 0.0030384/step, 0.245941 hours remaining, 209.523438 MB of memory in use. ENERGY: 4708600 734.5731 2093.7327 1931.1879 120.0952 -206298.4863 17798.4245 0.0000 0.0000 34219.5038 -149400.9690 298.8474 -183620.4728 -149305.8569 298.3726 -104.6565 -73.9625 559203.8558 10.5314 10.6898 PRESSURE: 4708800 82.5694 -173.035 11.5833 -173.035 -57.9797 124.138 11.5829 124.137 -157.592 GPRESSURE: 4708800 142.802 -109.337 -34.1613 -185.652 -55.3486 35.9098 21.3074 199.672 -111.842 PRESSAVG: 4708800 14.6548 -12.6587 -48.4636 -12.6586 -21.9259 -9.02787 -48.4637 -9.02788 -41.3881 GPRESSAVG: 4708800 13.8334 -10.6129 -49.0819 -10.6715 -21.9583 -10.5149 -46.5476 -8.33926 -40.3548 TIMING: 4708800 CPU: 14160.3, 0.003011/step Wall: 14160.3, 0.003011/step, 0.243556 hours remaining, 209.523438 MB of memory in use. ENERGY: 4708800 762.8081 2106.7913 1952.3729 117.4255 -206510.8366 17921.6670 0.0000 0.0000 34251.9394 -149397.8324 299.1307 -183649.7718 -149299.8882 298.6313 -44.3339 -8.1297 558917.8175 -16.2197 -16.1599 PRESSURE: 4709000 -45.8265 -91.2515 -12.9072 -91.2515 -261.714 -46.3027 -12.9084 -46.3031 -149.366 GPRESSURE: 4709000 -36.2255 -41.554 -37.2614 -58.877 -243.135 -76.4 33.7111 -36.9232 -76.3176 PRESSAVG: 4709000 13.1102 4.56946 63.394 4.56948 -4.85146 -17.2739 63.394 -17.2739 -39.7416 GPRESSAVG: 4709000 13.2608 3.49843 63.4331 4.98869 -4.22934 -17.2701 60.2786 -18.3658 -40.6104 TIMING: 4709000 CPU: 14160.9, 0.00301711/step Wall: 14160.9, 0.00301711/step, 0.243883 hours remaining, 209.523438 MB of memory in use. ENERGY: 4709000 765.5369 2072.2734 1956.1018 129.1109 -206514.5579 17814.2212 0.0000 0.0000 34404.4048 -149372.9090 300.4622 -183777.3138 -149274.7678 298.8516 -152.3023 -118.5593 557918.9103 -10.4943 -10.5263 PRESSURE: 4709200 -11.0049 130.072 30.8726 130.073 303.861 19.2666 30.8727 19.2656 19.4187 GPRESSURE: 4709200 30.9586 192.31 61.883 95.3389 371.991 80.5843 58.7836 19.5313 15.4477 PRESSAVG: 4709200 30.2652 39.2373 -55.1683 39.2373 24.6659 -8.20189 -55.1683 -8.20182 -7.32952 GPRESSAVG: 4709200 30.9152 38.7503 -51.5534 38.6234 25.0163 -7.88739 -54.3001 -5.92157 -7.87319 TIMING: 4709200 CPU: 14161.5, 0.0030392/step Wall: 14161.5, 0.0030392/step, 0.2455 hours remaining, 209.523438 MB of memory in use. ENERGY: 4709200 748.4695 2127.7906 1941.1283 118.5012 -206464.7331 17965.9433 0.0000 0.0000 34130.1865 -149432.7137 298.0674 -183562.9003 -149336.5004 298.7040 104.0916 139.4657 557261.3152 15.8672 16.0195 PRESSURE: 4709400 -151.737 -3.48158 -75.9072 -3.47997 265.713 -64.8507 -75.907 -64.8497 81.0328 GPRESSURE: 4709400 -146.387 9.86444 -124.666 22.3507 330.709 -51.7483 -78.5376 -61.4412 122.679 PRESSAVG: 4709400 -19.3591 -23.9528 -76.724 -23.9528 26.516 -26.0994 -76.7241 -26.0995 -23.5461 GPRESSAVG: 4709400 -20.2312 -25.2571 -78.046 -23.519 25.6364 -26.6339 -77.0124 -25.9157 -21.8641 TIMING: 4709400 CPU: 14162.1, 0.00302165/step Wall: 14162.1, 0.00302165/step, 0.243915 hours remaining, 209.628906 MB of memory in use. ENERGY: 4709400 728.8420 2086.8468 1932.8916 108.9820 -206536.0374 18087.7598 0.0000 0.0000 34180.1183 -149410.5969 298.5035 -183590.7152 -149315.4099 297.9482 65.0030 102.3338 558054.5998 -5.4631 -5.4863 PRESSURE: 4709600 0.421366 -127.539 -94.3594 -127.539 -297.09 -115.981 -94.3597 -115.982 166.22 GPRESSURE: 4709600 -14.4557 -131.602 -120.455 -70.6018 -274.621 -185.705 -72.1126 -89.3649 255.421 PRESSAVG: 4709600 -32.9198 -21.9211 -9.45005 -21.921 50.8159 -52.357 -9.45003 -52.357 -2.96403 GPRESSAVG: 4709600 -32.5256 -20.6271 -11.1581 -24.1457 51.3767 -51.9604 -7.63775 -53.7847 -4.24118 TIMING: 4709600 CPU: 14162.7, 0.00302277/step Wall: 14162.7, 0.00302277/step, 0.243837 hours remaining, 209.628906 MB of memory in use. ENERGY: 4709600 758.0822 2044.0052 1966.6724 115.2609 -206419.7667 17899.2284 0.0000 0.0000 34256.7723 -149379.7454 299.1729 -183636.5176 -149283.7584 298.7844 -43.4831 -11.2186 558373.3454 4.9773 4.8700 PRESSURE: 4709800 -207.822 149.436 -46.1792 149.436 -380.997 48.0422 -46.1791 48.0436 -306.335 GPRESSURE: 4709800 -171.16 21.1969 -73.86 250.38 -315.066 65.0743 -128.722 21.9902 -314.802 PRESSAVG: 4709800 31.5916 -50.483 1.86463 -50.483 -62.5709 -16.4997 1.86468 -16.4998 39.6902 GPRESSAVG: 4709800 31.3442 -50.0566 2.34579 -48.9643 -62.2139 -15.6117 -0.514094 -17.1066 39.8481 TIMING: 4709800 CPU: 14163.3, 0.00301657/step Wall: 14163.3, 0.00301657/step, 0.243169 hours remaining, 209.628906 MB of memory in use. ENERGY: 4709800 751.0265 2097.6111 1928.1461 111.9137 -205924.2356 17369.8695 0.0000 0.0000 34325.8681 -149339.8007 299.7763 -183665.6687 -149238.3493 298.8471 -298.3846 -267.0093 557372.2180 2.9036 2.9928 PRESSURE: 4710000 -4.80333 -33.9195 -6.17143 -33.9192 -71.5563 -95.1016 -6.17289 -95.101 116.01 GPRESSURE: 4710000 45.3935 -27.9501 -17.0029 -42.7486 -55.3533 -129.052 -27.9218 40.9771 144.097 PRESSAVG: 4710000 -0.662213 -26.8134 19.7075 -26.8134 -5.56446 -36.5284 19.7075 -36.5284 28.1469 GPRESSAVG: 4710000 -0.210748 -27.3972 21.484 -27.5758 -6.65061 -36.0949 19.5202 -33.6392 28.3037 TIMING: 4710000 CPU: 14163.9, 0.00303084/step Wall: 14163.9, 0.00303084/step, 0.244151 hours remaining, 209.628906 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: 4710000 755.0656 2014.1997 1911.6914 121.2249 -206621.9385 17976.5363 0.0000 0.0000 34422.3403 -149420.8803 300.6189 -183843.2207 -149318.9661 299.6446 13.2168 44.7125 557648.2941 7.3068 7.1474 PRESSURE: 4710200 93.4328 -22.3177 36.3473 -22.3179 79.5199 54.9874 36.3474 54.987 22.4136 GPRESSURE: 4710200 75.2293 1.26332 25.6259 -51.7112 112.552 -3.93448 19.6228 71.1111 96.1954 PRESSAVG: 4710200 47.4629 12.9741 31.9617 12.9741 -55.8546 -3.55881 31.9618 -3.55892 18.8387 GPRESSAVG: 4710200 48.0666 12.6281 29.7007 13.2785 -56.0999 -4.57614 32.6606 -4.02707 18.7886 TIMING: 4710200 CPU: 14164.5, 0.00305117/step Wall: 14164.5, 0.00305117/step, 0.245619 hours remaining, 209.628906 MB of memory in use. ENERGY: 4710200 734.5955 2113.3689 1941.9382 124.1222 -206488.0746 17946.2229 0.0000 0.0000 34314.7697 -149313.0571 299.6794 -183627.8269 -149224.6431 299.0781 65.1221 94.6588 558092.0060 3.4823 3.5851 PRESSURE: 4710400 182.956 89.4008 -127.546 89.4016 -103.292 -42.2271 -127.547 -42.2284 -83.2618 GPRESSURE: 4710400 221.476 70.1389 -147.779 87.6148 -123.846 -4.15067 -154.334 -115.041 -4.66499 PRESSAVG: 4710400 41.9989 19.0451 -0.605333 19.0451 -33.9698 37.5352 -0.605396 37.5353 -21.4552 GPRESSAVG: 4710400 41.595 18.8073 1.35739 19.6572 -32.2153 36.1219 -2.31498 37.0865 -22.2738 TIMING: 4710400 CPU: 14165.1, 0.00304838/step Wall: 14165.1, 0.00304838/step, 0.245225 hours remaining, 209.628906 MB of memory in use. ENERGY: 4710400 778.0561 2067.5546 1968.6977 126.1453 -206273.5638 17912.3287 0.0000 0.0000 34197.8825 -149222.8988 298.6586 -183420.7813 -149126.5373 299.1025 -1.1993 30.9884 557988.8654 -4.4754 -4.2980 PRESSURE: 4710600 -57.6707 -87.0434 -75.0667 -87.0432 -301.216 -212.986 -75.0674 -212.987 66.0546 GPRESSURE: 4710600 -12.4592 -122.21 -106.586 50.1632 -196.022 -224.22 -105.539 -146.81 1.12148 PRESSAVG: 4710600 20.4873 -61.3677 0.549576 -61.3677 -48.1491 -5.43754 0.54964 -5.43777 20.5802 GPRESSAVG: 4710600 21.3336 -62.159 -1.74091 -61.3139 -49.1978 -5.71529 2.79817 -4.30818 20.7287 TIMING: 4710600 CPU: 14165.7, 0.00304223/step Wall: 14165.7, 0.00304223/step, 0.244562 hours remaining, 209.628906 MB of memory in use. ENERGY: 4710600 777.2454 2096.0184 1957.6389 108.2554 -205927.6504 17621.7189 0.0000 0.0000 34267.2979 -149099.4756 299.2648 -183366.7735 -149004.8955 300.3480 -97.6106 -69.1200 556863.0691 -2.3605 -2.3785 PRESSURE: 4710800 -25.2696 89.7178 139.628 89.7174 -178.956 -6.36508 139.628 -6.36587 236.144 GPRESSURE: 4710800 81.2249 131.036 109.921 -9.33451 -194.84 3.91795 167.557 50.5441 229.765 PRESSAVG: 4710800 -15.374 -5.65652 2.12846 -5.65658 21.0506 8.83087 2.12834 8.83088 -13.6456 GPRESSAVG: 4710800 -16.6298 -5.23276 2.67908 -7.58297 22.0701 14.354 0.519462 6.35069 -13.5303 TIMING: 4710800 CPU: 14166.3, 0.00303439/step Wall: 14166.3, 0.00303439/step, 0.243763 hours remaining, 209.628906 MB of memory in use. ENERGY: 4710800 729.2459 2167.6627 1952.2421 110.7226 -206190.5051 17754.3749 0.0000 0.0000 34397.2416 -149079.0152 300.3997 -183476.2569 -148979.5403 299.7811 10.6392 38.7167 556983.5655 -2.6563 -2.6967 PRESSURE: 4711000 -24.9133 136.951 -66.1437 136.95 -120.569 -52.2938 -66.1434 -52.2931 99.3288 GPRESSURE: 4711000 28.2613 64.0702 -57.7777 130.572 -139.149 -52.7251 -20.9144 -50.3279 157.872 PRESSAVG: 4711000 -22.6321 24.0786 51.5542 24.0785 6.53279 1.36726 51.5542 1.36728 25.2604 GPRESSAVG: 4711000 -22.5511 24.4505 54.4924 25.5486 5.22671 -2.19619 50.5875 4.16181 26.2632 TIMING: 4711000 CPU: 14167, 0.00303448/step Wall: 14167, 0.00303448/step, 0.243602 hours remaining, 209.628906 MB of memory in use. ENERGY: 4711000 761.2027 2059.6781 1965.7245 117.5206 -205992.3735 17756.6317 0.0000 0.0000 34344.0852 -148987.5307 299.9354 -183331.6159 -148888.5076 299.7119 -15.3846 15.6613 557609.2074 3.0537 2.9796 PRESSURE: 4711200 -82.7745 -87.0139 20.5496 -87.0147 -164.402 -59.0432 20.55 -59.0436 -113.251 GPRESSURE: 4711200 -67.7603 -98.8766 52.2389 12.3251 -138.33 -12.9453 11.2462 -130.088 -74.3742 PRESSAVG: 4711200 -17.2557 -15.5667 28.8159 -15.5666 59.1815 -0.0608711 28.8159 -0.0606577 -12.3007 GPRESSAVG: 4711200 -17.6438 -14.3649 26.1026 -16.6712 59.4095 0.24882 30.5298 -1.33647 -12.4647 TIMING: 4711200 CPU: 14167.6, 0.00301448/step Wall: 14167.6, 0.00301448/step, 0.241828 hours remaining, 209.628906 MB of memory in use. ENERGY: 4711200 750.6614 2130.6311 1923.9549 123.9996 -206172.7691 17702.1467 0.0000 0.0000 34436.1769 -149105.1986 300.7397 -183541.3755 -149012.1215 299.5843 -120.1425 -93.4883 556997.0641 9.8750 9.7670 PRESSURE: 4711400 169.47 -151.936 -200.705 -151.937 -205.475 -199.892 -200.704 -199.893 -29.8094 GPRESSURE: 4711400 177.654 -125.253 -140.655 -160.445 -160.897 -223.09 -148.12 -204.348 16.7725 PRESSAVG: 4711400 -30.2136 -15.1107 -29.9619 -15.1108 -29.7356 -25.3484 -29.962 -25.3484 67.4027 GPRESSAVG: 4711400 -30.5596 -16.715 -28.902 -13.6944 -29.3453 -26.6191 -29.6898 -25.4957 67.8131 TIMING: 4711400 CPU: 14168.2, 0.00299329/step Wall: 14168.2, 0.00299329/step, 0.239962 hours remaining, 209.628906 MB of memory in use. ENERGY: 4711400 724.3590 2099.1998 1985.6467 111.9423 -206038.6000 17745.4671 0.0000 0.0000 34172.3583 -149199.6269 298.4357 -183371.9851 -149098.3385 299.6839 -21.9382 11.1763 557526.5412 2.4845 2.6361 PRESSURE: 4711600 -161.793 19.1842 84.2089 19.1842 103.708 -89.6097 84.2097 -89.6095 -161.355 GPRESSURE: 4711600 -136.944 -7.58923 150.358 -11.6465 102.51 -5.53979 56.1851 -63.5203 -98.8869 PRESSAVG: 4711600 34.5235 27.1605 -24.7728 27.1605 -18.5442 -25.6251 -24.7728 -25.6251 -16.1094 GPRESSAVG: 4711600 33.9228 27.3432 -24.7479 25.8392 -17.7177 -24.13 -25.8082 -25.8089 -16.6295 TIMING: 4711600 CPU: 14168.8, 0.00301017/step Wall: 14168.8, 0.00301017/step, 0.241148 hours remaining, 209.628906 MB of memory in use. ENERGY: 4711600 737.6633 2105.8688 1963.0267 120.7594 -206289.6920 17739.7019 0.0000 0.0000 34287.0654 -149335.6064 299.4375 -183622.6718 -149232.6240 298.8406 -73.1467 -44.4405 557043.1477 -0.0434 -0.1415 PRESSURE: 4711800 -14.8107 74.6939 -119.464 74.694 89.9899 -73.4265 -119.464 -73.426 17.0767 GPRESSURE: 4711800 12.5235 88.9619 -69.3477 42.5871 88.7088 -90.1676 -155.112 -66.5938 84.0828 PRESSAVG: 4711800 -22.9155 -7.95942 22.6452 -7.95939 15.5513 -22.2864 22.6452 -22.2863 9.44272 GPRESSAVG: 4711800 -20.6727 -9.9807 22.8403 -5.28213 15.3238 -20.0333 21.7514 -23.2159 7.95383 TIMING: 4711800 CPU: 14169.4, 0.0030117/step Wall: 14169.4, 0.0030117/step, 0.241104 hours remaining, 209.628906 MB of memory in use. ENERGY: 4711800 728.5759 2124.6024 1928.1762 107.2571 -206290.4276 17873.1852 0.0000 0.0000 34106.0210 -149422.6098 297.8564 -183528.6309 -149330.6849 298.4250 30.7520 61.7717 557467.8204 0.6928 0.8683 PRESSURE: 4712000 -168.523 82.5063 -35.206 82.5068 203.575 -33.9392 -35.2052 -33.9396 -7.29867 GPRESSURE: 4712000 -149.325 61.6699 -86.1703 129.026 199.08 -43.8511 37.3903 -73.0244 67.8346 PRESSAVG: 4712000 43.1422 17.0913 27.6331 17.0913 40.2125 41.5852 27.6331 41.5851 -46.1992 GPRESSAVG: 4712000 42.1699 17.926 27.3249 16.4454 38.8155 36.255 29.8863 44.6125 -44.1318 TIMING: 4712000 CPU: 14170, 0.00299738/step Wall: 14170, 0.00299738/step, 0.23979 hours remaining, 209.628906 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: 4712000 728.0120 2069.3323 1932.8591 109.4130 -206730.6554 18008.3667 0.0000 0.0000 34335.0983 -149547.5739 299.8570 -183882.6722 -149446.8190 297.9596 9.2512 39.1964 557080.2493 12.3852 12.2846 PRESSURE: 4712200 125.315 -189.288 -201.897 -189.288 30.9845 -249.69 -201.897 -249.691 86.0464 GPRESSURE: 4712200 185.24 -188.429 -306.841 -178.752 47.7341 -222.431 -176.194 -207.3 102.869 PRESSAVG: 4712200 -3.50305 -12.3742 -11.4783 -12.3742 5.30287 31.2583 -11.4782 31.2583 -1.14657 GPRESSAVG: 4712200 -2.44372 -10.4469 -11.3758 -13.2769 6.25001 33.6662 -11.4535 29.929 -3.57731 TIMING: 4712200 CPU: 14170.6, 0.00300829/step Wall: 14170.6, 0.00300829/step, 0.240496 hours remaining, 209.628906 MB of memory in use. ENERGY: 4712200 738.5957 2045.2855 1925.8258 111.0540 -206656.2028 17946.4096 0.0000 0.0000 34235.3177 -149653.7146 298.9855 -183889.0323 -149549.8450 297.9482 80.7821 111.9477 557647.6733 0.2178 0.0763 LDB: ============= START OF LOAD BALANCING ============== 14174 LDB: ============== END OF LOAD BALANCING =============== 14174 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14174 LDB: ============= START OF LOAD BALANCING ============== 14174.3 LDB: Largest compute 4820 load 0.029706 is 25.2% of average load 0.118056 LDB: Average compute 0.001748 is 1.5% of average load 0.118056 LDB: TIME 14174.3 LOAD: AVG 0.118056 MAX 0.215429 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.555 MB LDB: TIME 14174.3 LOAD: AVG 0.118056 MAX 0.215429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.555 MB LDB: TIME 14174.3 LOAD: AVG 0.118056 MAX 0.215429 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14174.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14174.3 PRESSURE: 4712400 -193.559 16.4611 96.2278 16.4609 -171.892 2.93593 96.2288 2.93586 80.8508 GPRESSURE: 4712400 -168.493 17.242 136.438 39.3174 -178.226 53.1541 72.2473 -48.6762 158.341 PRESSAVG: 4712400 17.5903 -5.95082 9.10213 -5.95085 -9.4093 55.1194 9.10211 55.1194 -14.5871 GPRESSAVG: 4712400 16.2803 -4.83839 8.48693 -5.67629 -9.83109 55.5121 7.09059 54.1184 -13.3478 TIMING: 4712400 CPU: 14171.2, 0.00309554/step Wall: 14171.2, 0.00309554/step, 0.247299 hours remaining, 207.277344 MB of memory in use. ENERGY: 4712400 758.8584 2116.8055 1918.1985 119.0033 -206351.6537 17724.0418 0.0000 0.0000 34262.7451 -149452.0012 299.2251 -183714.7462 -149354.0305 298.3069 -94.8666 -62.7926 557102.8708 -2.1354 -2.2995 PRESSURE: 4712600 -4.83461 -137.583 30.7437 -137.582 77.135 84.4003 30.743 84.3984 20.5438 GPRESSURE: 4712600 94.3248 -153.393 -8.10306 -118.9 59.2066 62.4379 3.37914 72.6797 39.3904 PRESSAVG: 4712600 -52.8606 9.64223 -50.6582 9.64229 -9.55994 32.3593 -50.6582 32.3591 52.203 GPRESSAVG: 4712600 -51.2842 7.76695 -51.1672 9.62873 -9.9232 31.159 -49.1175 35.8957 51.1051 TIMING: 4712600 CPU: 14171.8, 0.00304376/step Wall: 14171.8, 0.00304376/step, 0.242994 hours remaining, 207.277344 MB of memory in use. ENERGY: 4712600 731.3693 2143.4998 1918.7596 111.2338 -206535.5113 17963.3469 0.0000 0.0000 34284.7137 -149382.5882 299.4169 -183667.3018 -149289.0745 299.0114 30.9480 64.3073 558024.0323 -3.4058 -3.3674 PRESSURE: 4712800 65.9437 -132.774 24.8446 -132.774 -151.375 188.697 24.843 188.698 70.9704 GPRESSURE: 4712800 43.0416 -204.417 75.1864 -23.2325 -122.547 149.871 -31.8842 207.794 163.627 PRESSAVG: 4712800 39.7821 41.6605 -9.848 41.6605 -51.7052 11.1353 -9.84799 11.1353 32.5204 GPRESSAVG: 4712800 37.9289 42.2462 -10.2425 38.9718 -50.1626 13.6161 -10.059 9.16184 32.8025 TIMING: 4712800 CPU: 14172.4, 0.0030238/step Wall: 14172.4, 0.0030238/step, 0.241232 hours remaining, 207.277344 MB of memory in use. ENERGY: 4712800 749.2903 2097.3509 1927.8477 101.9124 -206595.2141 17997.7453 0.0000 0.0000 34090.5728 -149630.4947 297.7215 -183721.0675 -149535.6303 299.2860 -4.8204 28.0402 558830.6160 6.8658 6.8562 PRESSURE: 4713000 -180.338 -68.8648 39.5597 -68.8649 136.928 -125.139 39.5611 -125.139 -28.2803 GPRESSURE: 4713000 -122.015 -58.0073 124.115 -189.101 143.928 -32.5579 -121.627 -130.308 15.0236 PRESSAVG: 4713000 45.1201 50.233 -18.8276 50.2329 -23.2762 7.63575 -18.8275 7.63576 -20.7758 GPRESSAVG: 4713000 46.1911 48.948 -16.4941 51.6608 -22.7667 6.32525 -19.8862 8.11336 -21.8888 TIMING: 4713000 CPU: 14173, 0.00302273/step Wall: 14173, 0.00302273/step, 0.240979 hours remaining, 207.277344 MB of memory in use. ENERGY: 4713000 761.9226 2050.5709 1937.9401 109.1459 -206813.5887 18101.7208 0.0000 0.0000 34433.7985 -149418.4898 300.7189 -183852.2884 -149315.6487 298.7944 -23.8967 12.3122 557564.8633 0.3560 0.5118 PRESSURE: 4713200 15.2461 -41.9956 38.203 -41.996 273.017 -24.5621 38.2047 -24.5616 116.118 GPRESSURE: 4713200 70.6338 -46.4983 20.8205 -19.2321 240.443 -51.5067 -12.4908 -68.9728 208.652 PRESSAVG: 4713200 7.95584 -31.5287 -54.4011 -31.5288 18.6515 -32.6768 -54.4011 -32.6768 -30.2235 GPRESSAVG: 4713200 7.77241 -32.3586 -55.7193 -30.7347 17.1322 -32.2713 -53.625 -33.3604 -28.4623 TIMING: 4713200 CPU: 14173.6, 0.00302229/step Wall: 14173.6, 0.00302229/step, 0.240776 hours remaining, 207.277344 MB of memory in use. ENERGY: 4713200 703.5553 2106.4589 1918.8425 106.2788 -206598.4271 17949.0180 0.0000 0.0000 34304.8132 -149509.4604 299.5925 -183814.2736 -149405.4302 298.3383 134.7938 173.2431 555716.9381 -1.2054 -1.1859 PRESSURE: 4713400 69.0756 -34.3987 10.6935 -34.3985 -139.21 68.5497 10.6946 68.5507 -35.6791 GPRESSURE: 4713400 99.5281 17.4156 73.3743 -59.9014 -143.043 85.7411 45.6876 48.2213 30.6836 PRESSAVG: 4713400 129.138 -43.9698 0.870128 -43.9698 -3.42296 35.0806 0.870131 35.0806 -87.6249 GPRESSAVG: 4713400 128.806 -42.4304 1.41753 -42.9494 -3.10604 34.8962 1.05399 35.6867 -87.5064 TIMING: 4713400 CPU: 14174.2, 0.00299471/step Wall: 14174.2, 0.00299471/step, 0.238412 hours remaining, 207.277344 MB of memory in use. ENERGY: 4713400 772.7628 2103.8919 1921.0114 105.6701 -206224.8470 17887.7946 0.0000 0.0000 34038.0739 -149395.6422 297.2630 -183433.7161 -149299.9065 298.8001 -35.2712 -4.2771 558411.0374 12.6967 12.7311 PRESSURE: 4713600 260.18 49.5704 30.8137 49.5712 262.216 -58.2364 30.8134 -58.2365 251.72 GPRESSURE: 4713600 231.055 38.0037 47.9048 120.392 327.994 -40.2325 -108.185 -15.0786 320.664 PRESSAVG: 4713600 -4.17467 -36.5484 -0.378491 -36.5484 -21.43 -43.4298 -0.378554 -43.4297 4.51607 GPRESSAVG: 4713600 -3.727 -36.2298 0.179894 -39.7501 -21.215 -44.4831 -0.466482 -43.1087 4.01868 TIMING: 4713600 CPU: 14174.8, 0.00302161/step Wall: 14174.8, 0.00302161/step, 0.240386 hours remaining, 207.277344 MB of memory in use. ENERGY: 4713600 767.7895 2067.5334 1925.9950 99.2779 -206592.9094 18132.7326 0.0000 0.0000 34222.7881 -149376.7928 298.8761 -183599.5810 -149287.3484 298.4374 258.0388 293.2378 556884.8370 -7.0295 -6.9745 PRESSURE: 4713800 97.3874 67.4912 -114.122 67.491 96.8392 -22.5081 -114.121 -22.5101 -71.211 GPRESSURE: 4713800 85.398 18.7163 -149.61 57.4445 136.805 -33.2027 -68.0773 -23.0132 7.89834 PRESSAVG: 4713800 55.02 -48.8574 -31.7476 -48.8574 67.252 -11.9029 -31.7476 -11.9029 -46.5985 GPRESSAVG: 4713800 54.6624 -50.8592 -32.0557 -45.469 68.3236 -8.53781 -31.7104 -15.7451 -47.0954 TIMING: 4713800 CPU: 14175.4, 0.0030352/step Wall: 14175.4, 0.0030352/step, 0.241299 hours remaining, 207.277344 MB of memory in use. ENERGY: 4713800 729.5932 2065.4215 1955.9286 109.1641 -206378.8645 17808.4872 0.0000 0.0000 34190.8951 -149519.3748 298.5976 -183710.2699 -149419.5102 298.0280 41.0052 76.7003 556439.5488 25.2245 25.2968 PRESSURE: 4714000 135.534 120.359 -78.7065 120.358 23.395 -90.8449 -78.7064 -90.8457 -332.297 GPRESSURE: 4714000 171.433 85.334 -6.76871 185.466 65.8469 -49.0202 -81.0174 -91.1949 -296.425 PRESSAVG: 4714000 26.349 -37.219 -8.43286 -37.2191 -3.45982 -1.26292 -8.43285 -1.26288 -44.8932 GPRESSAVG: 4714000 26.9186 -37.9646 -9.81995 -38.7436 -4.90286 -3.72541 -8.34812 1.68333 -43.8963 TIMING: 4714000 CPU: 14176, 0.00306171/step Wall: 14176, 0.00306171/step, 0.243236 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: 4714000 739.9812 2061.4294 1931.9905 99.1312 -206039.1919 17784.6690 0.0000 0.0000 34228.2855 -149193.7050 298.9241 -183421.9905 -149099.5802 298.7931 -57.7891 -19.7153 556824.5534 -7.3347 -7.2935 PRESSURE: 4714200 162.146 -12.1344 -147.77 -12.1337 124.823 96.8871 -147.77 96.8863 40.5911 GPRESSURE: 4714200 161.913 32.2214 -48.0549 -12.2114 160.488 40.3114 -96.668 106.448 94.1559 PRESSAVG: 4714200 44.0448 4.50415 -32.8848 4.50421 -57.8033 37.5889 -32.8847 37.5889 33.5118 GPRESSAVG: 4714200 43.3791 7.73189 -30.7491 4.96347 -56.2938 36.0837 -33.9826 37.7547 32.4054 TIMING: 4714200 CPU: 14176.6, 0.00303752/step Wall: 14176.6, 0.00303752/step, 0.241145 hours remaining, 207.277344 MB of memory in use. ENERGY: 4714200 687.0838 2025.2515 1950.6930 119.2602 -206063.5633 17759.2490 0.0000 0.0000 34245.8100 -149276.2159 299.0772 -183522.0258 -149173.5653 298.9271 109.1867 138.8523 556079.1316 6.5844 6.4969 PRESSURE: 4714400 -32.3163 77.6115 -34.3237 77.6115 -172.339 -36.023 -34.3231 -36.0239 18.1525 GPRESSURE: 4714400 20.0648 28.1072 -63.9625 100.646 -165.819 -86.0359 -51.2237 -33.6821 59.1838 PRESSAVG: 4714400 1.39423 -13.3172 -4.39859 -13.3172 62.8323 44.2567 -4.39844 44.2568 21.7929 GPRESSAVG: 4714400 2.33466 -15.1298 -6.29069 -12.7575 62.6419 44.7529 -3.28106 42.9118 21.3402 TIMING: 4714400 CPU: 14177.2, 0.00300874/step Wall: 14177.2, 0.00300874/step, 0.238694 hours remaining, 207.277344 MB of memory in use. ENERGY: 4714400 754.7820 2123.5682 1939.1433 127.0379 -206096.1438 17888.4479 0.0000 0.0000 33969.9256 -149293.2389 296.6678 -183263.1645 -149204.0194 299.4210 -62.1676 -28.8569 557546.6733 28.6732 28.7722 PRESSURE: 4714600 134.609 -73.0947 15.0281 -73.095 -106.765 121.503 15.0282 121.503 102.294 GPRESSURE: 4714600 184.464 -24.2183 -51.2615 -132.726 -65.0227 136.046 1.99022 124.529 104.202 PRESSAVG: 4714600 -40.0725 -11.6444 -17.5765 -11.6444 47.006 17.1315 -17.5765 17.1314 0.44353 GPRESSAVG: 4714600 -39.8701 -10.658 -18.757 -12.1922 46.283 17.913 -16.5728 18.5247 1.06196 TIMING: 4714600 CPU: 14177.8, 0.00303215/step Wall: 14177.8, 0.00303215/step, 0.240382 hours remaining, 207.277344 MB of memory in use. ENERGY: 4714600 720.2245 2034.7934 1925.0368 112.8511 -205970.9016 17753.8126 0.0000 0.0000 34162.7834 -149261.3998 298.3521 -183424.1832 -149166.8614 298.7139 43.3795 74.5478 557045.2852 2.4590 2.4916 PRESSURE: 4714800 -87.2696 -82.2337 17.3529 -82.2327 -134.459 -16.486 17.3523 -16.4858 -82.3551 GPRESSURE: 4714800 -116.052 -75.2694 3.6672 -46.0511 -66.9882 58.1517 -2.67831 -66.5706 -8.80459 PRESSAVG: 4714800 47.3711 -28.7028 12.8909 -28.7029 26.7634 -9.21114 12.8909 -9.21112 -88.4673 GPRESSAVG: 4714800 47.0199 -28.8427 14.9205 -31.4751 26.0619 -7.9202 10.6054 -9.89376 -87.859 TIMING: 4714800 CPU: 14178.4, 0.00301543/step Wall: 14178.4, 0.00301543/step, 0.238889 hours remaining, 207.277344 MB of memory in use. ENERGY: 4714800 705.3114 2012.6160 1937.4957 116.4005 -205879.9115 17684.3285 0.0000 0.0000 34208.0052 -149215.7543 298.7470 -183423.7595 -149123.7987 298.7273 -101.3611 -63.9484 557651.0617 -4.7776 -4.9257 PRESSURE: 4715000 -6.44663 45.2355 -66.5608 45.235 -145.165 219.486 -66.56 219.487 101.586 GPRESSURE: 4715000 46.1498 78.951 -87.0346 36.3598 -145.703 222.237 -87.3765 169.78 144.161 PRESSAVG: 4715000 23.2675 -33.5777 3.26536 -33.5777 16.8544 60.184 3.26531 60.184 -35.8598 GPRESSAVG: 4715000 23.9702 -34.4777 5.90569 -30.8614 15.9425 60.4377 2.1253 60.1381 -35.6333 TIMING: 4715000 CPU: 14179, 0.00304157/step Wall: 14179, 0.00304157/step, 0.240791 hours remaining, 207.277344 MB of memory in use. ENERGY: 4715000 753.6395 2046.8426 1961.2122 124.1490 -206056.5252 17645.1654 0.0000 0.0000 34257.8952 -149267.6212 299.1827 -183525.5164 -149169.5410 299.1520 -16.6751 14.8691 556745.8652 1.4207 1.4264 PRESSURE: 4715200 66.5541 -43.4954 -92.4208 -43.4953 -20.8036 35.26 -92.4197 35.2608 158.221 GPRESSURE: 4715200 125.291 -20.8372 -89.371 -16.314 25.6808 95.6837 -29.4166 101.348 160.526 PRESSAVG: 4715200 18.8425 -26.692 -35.818 -26.6921 59.2045 25.5153 -35.818 25.5153 -57.652 GPRESSAVG: 4715200 18.2845 -26.7976 -37.8723 -26.983 60.8364 24.2155 -32.8704 25.2193 -58.4874 TIMING: 4715200 CPU: 14179.7, 0.00303083/step Wall: 14179.7, 0.00303083/step, 0.239772 hours remaining, 207.277344 MB of memory in use. ENERGY: 4715200 744.9148 2070.7613 1927.4294 104.3731 -205954.6465 17772.6366 0.0000 0.0000 34215.7074 -149118.8239 298.8143 -183334.5313 -149026.6014 299.1084 67.9905 103.8327 557093.7687 6.7983 6.8778 PRESSURE: 4715400 42.8382 -59.8425 46.0075 -59.8434 145.184 -151.977 46.0078 -151.976 215.658 GPRESSURE: 4715400 90.7131 -34.8145 99.9302 -50.0359 213.01 -172.163 33.5835 -43.07 197.237 PRESSAVG: 4715400 7.23055 -8.68429 4.13173 -8.68432 -20.1999 15.2729 4.13183 15.2729 7.05824 GPRESSAVG: 4715400 7.20905 -8.73477 3.5778 -8.24173 -20.0819 15.5811 2.91289 15.1759 7.2659 TIMING: 4715400 CPU: 14180.3, 0.00303248/step Wall: 14180.3, 0.00303248/step, 0.239734 hours remaining, 207.277344 MB of memory in use. ENERGY: 4715400 752.8681 2004.3500 1930.8369 116.0607 -206255.6078 18121.8225 0.0000 0.0000 34264.0261 -149065.6435 299.2363 -183329.6696 -148972.9531 299.8258 134.5599 166.9869 557675.3225 -1.9704 -1.8690 PRESSURE: 4715600 -122.704 66.0256 97.3493 66.0257 138.375 154.509 97.3505 154.511 -421.293 GPRESSURE: 4715600 -110.71 26.0463 118.986 100.538 172.933 174.989 118.023 170.354 -367.463 PRESSAVG: 4715600 45.3362 7.94161 -2.16829 7.9416 19.3731 -11.3988 -2.16841 -11.3989 -50.2293 GPRESSAVG: 4715600 45.2525 8.63086 -1.89684 5.9199 19.9691 -10.1944 -3.01955 -10.7655 -50.4466 TIMING: 4715600 CPU: 14180.9, 0.00304116/step Wall: 14180.9, 0.00304116/step, 0.240252 hours remaining, 207.277344 MB of memory in use. ENERGY: 4715600 747.3073 2079.7151 1925.4178 120.7572 -205629.5251 17483.4355 0.0000 0.0000 34178.2353 -149094.6570 298.4870 -183272.8922 -149004.8629 299.5999 -135.2073 -101.7466 557873.5043 4.8267 4.9250 PRESSURE: 4715800 -252.765 -89.6335 -109.712 -89.6338 -312.002 -81.1301 -109.712 -81.1291 -129.8 GPRESSURE: 4715800 -175.532 -112.827 -108.996 -106.646 -348.129 -44.3631 -155.499 -59.0829 -71.6044 PRESSAVG: 4715800 82.7874 5.42132 -67.3485 5.42127 -36.7355 -4.72915 -67.3484 -4.72917 -75.2138 GPRESSAVG: 4715800 82.6459 4.31392 -68.1003 6.57982 -37.1994 -6.17978 -67.3842 -4.64035 -75.1332 TIMING: 4715800 CPU: 14181.5, 0.00302857/step Wall: 14181.5, 0.00302857/step, 0.239089 hours remaining, 207.277344 MB of memory in use. ENERGY: 4715800 750.7457 2095.7068 1910.1883 115.9441 -205663.1275 17557.1144 0.0000 0.0000 34246.0202 -148987.4079 299.0790 -183233.4281 -148885.8590 299.4440 -231.5227 -198.4219 559049.2358 -9.7206 -9.8956 PRESSURE: 4716000 -176.393 -54.5545 -100.329 -54.5537 -153.991 58.4706 -100.328 58.4709 -29.8903 GPRESSURE: 4716000 -189.429 7.53511 -113.843 -53.9446 -110.614 23.7759 -76.0347 102.976 41.0023 PRESSAVG: 4716000 90.5309 17.9773 -31.6205 17.9774 -29.4963 -43.3594 -31.6205 -43.3593 -28.9647 GPRESSAVG: 4716000 89.2726 16.5198 -32.4691 18.1207 -29.5154 -41.1746 -30.4753 -44.8854 -27.5844 TIMING: 4716000 CPU: 14182.1, 0.00300885/step Wall: 14182.1, 0.00300885/step, 0.237364 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: 4716000 741.2664 2085.5585 1934.0288 101.4568 -205881.5603 17657.4201 0.0000 0.0000 34105.1131 -149256.7166 297.8484 -183361.8297 -149157.3164 299.4850 -120.0915 -86.3471 555957.1513 10.6900 10.7243 PRESSURE: 4716200 -80.3248 -79.1278 -60.0446 -79.1267 50.7969 92.6499 -60.0434 92.6505 -31.2328 GPRESSURE: 4716200 -36.8609 -168.128 -46.0631 -31.589 96.7641 151.491 -24.9846 54.0291 -26.196 PRESSAVG: 4716200 -50.7312 6.57245 -61.389 6.57252 45.2669 49.3019 -61.389 49.3018 -33.7836 GPRESSAVG: 4716200 -48.8793 9.62168 -60.1538 5.35497 45.1709 47.7323 -61.1436 51.3237 -35.4737 TIMING: 4716200 CPU: 14182.7, 0.00301421/step Wall: 14182.7, 0.00301421/step, 0.237621 hours remaining, 207.277344 MB of memory in use. ENERGY: 4716200 736.6893 2075.8580 1934.8991 109.2885 -206414.9525 17914.0183 0.0000 0.0000 34363.8272 -149280.3721 300.1078 -183644.1993 -149178.4784 299.0757 -20.2536 11.2357 557781.8238 -13.0826 -13.0607 LDB: ============= START OF LOAD BALANCING ============== 14186.1 LDB: ============== END OF LOAD BALANCING =============== 14186.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14186.1 LDB: ============= START OF LOAD BALANCING ============== 14186.4 LDB: Largest compute 4820 load 0.029368 is 24.9% of average load 0.118164 LDB: Average compute 0.001740 is 1.5% of average load 0.118164 LDB: TIME 14186.4 LOAD: AVG 0.118164 MAX 0.21657 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 14186.4 LOAD: AVG 0.118164 MAX 0.21657 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: TIME 14186.4 LOAD: AVG 0.118164 MAX 0.21657 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14186.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14186.4 PRESSURE: 4716400 -0.846912 -43.1346 27.2271 -43.1349 -164.233 71.4381 27.2293 71.4375 -118.269 GPRESSURE: 4716400 32.0879 -41.7725 -8.83974 13.7572 -188.589 179.492 37.6446 14.4393 -26.9009 PRESSAVG: 4716400 -69.3715 -28.4096 -42.3041 -28.4095 86.9422 38.4183 -42.3042 38.4184 4.4145 GPRESSAVG: 4716400 -69.8422 -29.3186 -41.721 -28.0768 87.4491 40.7441 -43.1918 36.1571 4.80838 TIMING: 4716400 CPU: 14183.3, 0.0031004/step Wall: 14183.3, 0.0031004/step, 0.244242 hours remaining, 208.300781 MB of memory in use. ENERGY: 4716400 725.4439 2109.4039 1940.4042 111.8865 -206185.0791 17686.8331 0.0000 0.0000 34329.0666 -149282.0410 299.8043 -183611.1076 -149184.4113 298.9071 -94.4495 -61.1341 556987.1873 7.3284 7.4717 PRESSURE: 4716600 202.471 -115.483 -38.9337 -115.484 32.1253 -81.5902 -38.9338 -81.5899 188.461 GPRESSURE: 4716600 261.533 -209.493 5.684 -9.05504 74.3383 -96.7037 -72.378 -18.5917 187.083 PRESSAVG: 4716600 2.31669 10.8923 -3.44385 10.8922 29.8003 -3.43667 -3.44379 -3.43661 -20.0377 GPRESSAVG: 4716600 1.16741 9.76508 -6.6765 11.6151 29.2259 -5.31006 -2.61024 -2.23022 -18.3522 TIMING: 4716600 CPU: 14183.9, 0.00302069/step Wall: 14183.9, 0.00302069/step, 0.237795 hours remaining, 208.500000 MB of memory in use. ENERGY: 4716600 744.6977 2088.3288 1922.6605 110.0822 -206746.0212 17980.1197 0.0000 0.0000 34481.3148 -149418.8175 301.1339 -183900.1323 -149313.4209 298.5196 141.0189 174.3181 556855.8876 4.0264 4.0137 PRESSURE: 4716800 28.645 -71.6177 38.1379 -71.618 283.838 150.463 38.1375 150.464 128.809 GPRESSURE: 4716800 16.6284 6.07329 66.3483 -41.3125 331.37 113.082 32.407 72.6077 187.628 PRESSAVG: 4716800 -19.077 -28.8886 42.8739 -28.8887 40.8085 26.7468 42.8739 26.7469 -23.2356 GPRESSAVG: 4716800 -18.2568 -26.7931 46.0511 -29.217 42.28 28.1311 40.7222 26.5075 -24.9473 TIMING: 4716800 CPU: 14184.5, 0.00298934/step Wall: 14184.5, 0.00298934/step, 0.235162 hours remaining, 208.500000 MB of memory in use. ENERGY: 4716800 761.2606 2126.8601 1943.0947 107.6783 -206573.1825 18076.4115 0.0000 0.0000 34190.9185 -149366.9588 298.5978 -183557.8773 -149278.3936 299.4589 147.0973 178.5419 556622.4340 -0.5014 -0.3080 PRESSURE: 4717000 -64.694 -57.2732 48.9956 -57.2745 34.2596 -24.6822 48.9962 -24.682 -144.548 GPRESSURE: 4717000 -3.82732 -110.059 92.4354 -37.7543 28.7359 46.1328 67.9956 65.2998 -87.2406 PRESSAVG: 4717000 -42.9702 50.2496 66.1558 50.2497 10.4905 54.4431 66.1559 54.4429 34.9234 GPRESSAVG: 4717000 -41.9694 49.2339 65.6696 50.6063 9.38332 51.9824 66.8134 57.1282 35.4437 TIMING: 4717000 CPU: 14185.1, 0.00298957/step Wall: 14185.1, 0.00298957/step, 0.235013 hours remaining, 208.500000 MB of memory in use. ENERGY: 4717000 766.8523 2132.7801 1931.9627 112.2392 -206388.0447 17885.1781 0.0000 0.0000 34097.2413 -149461.7910 297.7797 -183559.0323 -149377.7772 299.1119 -58.3275 -20.7774 558306.6146 0.8146 0.9525 PRESSURE: 4717200 -270.975 201.929 -7.38946 201.93 -237.48 107.294 -7.38966 107.294 35.4917 GPRESSURE: 4717200 -242.527 96.9724 -11.0859 199.768 -189.272 103.182 -73.4593 94.0993 63.4453 PRESSAVG: 4717200 12.3418 -14.693 -48.6598 -14.6929 -40.1981 61.446 -48.6598 61.4461 -37.3219 GPRESSAVG: 4717200 12.6549 -16.5065 -49.068 -14.25 -39.8085 63.0454 -48.366 58.691 -37.9931 TIMING: 4717200 CPU: 14185.7, 0.00300723/step Wall: 14185.7, 0.00300723/step, 0.236235 hours remaining, 208.500000 MB of memory in use. ENERGY: 4717200 726.8824 2085.7038 1942.2023 116.4924 -206200.8581 17537.4201 0.0000 0.0000 34328.2016 -149463.9555 299.7967 -183792.1571 -149364.8823 298.6143 -157.6546 -122.7846 557147.7113 -21.7261 -21.7156 PRESSURE: 4717400 -45.5922 27.1847 -194.754 27.1861 160.292 -243.162 -194.754 -243.164 124.972 GPRESSURE: 4717400 34.0924 62.4055 -219.543 -13.356 167.282 -135.657 -207.279 -303.134 129.812 PRESSAVG: 4717400 50.5423 -6.04988 -46.1823 -6.05002 -66.0128 17.2845 -46.1823 17.2845 19.3411 GPRESSAVG: 4717400 50.0985 -2.2809 -46.7651 -8.59043 -65.5787 16.9547 -45.3887 17.3821 19.7725 TIMING: 4717400 CPU: 14186.3, 0.00300178/step Wall: 14186.3, 0.00300178/step, 0.23564 hours remaining, 208.500000 MB of memory in use. ENERGY: 4717400 726.0942 2148.9337 1955.1067 107.6689 -206435.0090 17983.4859 0.0000 0.0000 34239.0977 -149274.6218 299.0186 -183513.7195 -149186.9270 299.3550 79.8905 110.3954 556567.2468 1.2902 1.4308 PRESSURE: 4717600 -139.922 -18.279 3.69425 -18.2795 -85.3631 83.1531 3.69555 83.1529 -82.4968 GPRESSURE: 4717600 -99.3553 -51.2855 46.1672 52.5268 6.76578 43.1056 -76.2358 36.6106 -122.465 PRESSAVG: 4717600 -25.8504 -37.3278 -3.77793 -37.3277 9.92487 -30.6776 -3.77797 -30.6774 12.1108 GPRESSAVG: 4717600 -25.9291 -38.1251 -3.00016 -37.1803 9.75412 -32.9749 -4.64327 -29.0192 12.2802 TIMING: 4717600 CPU: 14186.9, 0.00298811/step Wall: 14186.9, 0.00298811/step, 0.234401 hours remaining, 208.500000 MB of memory in use. ENERGY: 4717600 764.7205 2095.5168 1920.8805 102.2920 -205713.3357 17624.0982 0.0000 0.0000 34053.4676 -149152.3600 297.3974 -183205.8277 -149058.6807 299.3071 -102.5940 -71.6848 557080.9428 -1.2716 -1.2983 PRESSURE: 4717800 37.2085 -94.5616 127.473 -94.5626 -107.272 -46.029 127.473 -46.0285 -194.693 GPRESSURE: 4717800 62.2692 -139.969 146.96 -23.7502 -101.296 54.721 132.403 -69.9086 -143.842 PRESSAVG: 4717800 1.10795 14.0771 0.0983838 14.077 24.3874 -12.117 0.098274 -12.117 -0.189363 GPRESSAVG: 4717800 1.63739 13.2181 1.75963 16.2501 24.3771 -10.8802 -0.642345 -13.9569 -0.595221 TIMING: 4717800 CPU: 14187.5, 0.00304458/step Wall: 14187.5, 0.00304458/step, 0.238661 hours remaining, 208.500000 MB of memory in use. ENERGY: 4717800 757.4427 2105.9804 1929.3797 110.8634 -205884.0972 17569.3484 0.0000 0.0000 34163.6084 -149247.4742 298.3593 -183411.0826 -149149.2594 299.7151 -88.2525 -60.9566 558329.7792 8.4353 8.4731 PRESSURE: 4718000 97.5516 -75.2041 -80.8676 -75.2037 -24.4764 -128.23 -80.8665 -128.228 167.471 GPRESSURE: 4718000 139.627 -84.5037 -0.911235 -51.5602 61.5535 -109.504 -88.4859 -137.047 127.296 PRESSAVG: 4718000 -2.91292 -34.0719 11.4093 -34.0719 49.2566 -42.3918 11.4094 -42.3917 -38.9304 GPRESSAVG: 4718000 -2.70503 -34.2562 8.75759 -34.4753 48.9213 -41.9094 14.126 -40.8444 -38.6086 TIMING: 4718000 CPU: 14188.1, 0.00300119/step Wall: 14188.1, 0.00300119/step, 0.235093 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: 4718000 743.5756 2105.9228 1927.5420 96.8290 -206182.0057 17827.5660 0.0000 0.0000 34287.9450 -149192.6254 299.4452 -183480.5704 -149093.3489 299.0172 80.1822 109.4922 558419.5654 2.4711 2.5359 PRESSURE: 4718200 -250.504 -97.9585 -178.142 -97.9574 211.381 30.8585 -178.142 30.8587 -55.6242 GPRESSURE: 4718200 -237.759 -47.757 -154.058 -90.337 248.806 74.9926 -172.106 47.611 -11.8668 PRESSAVG: 4718200 30.676 -11.8772 -34.4236 -11.8771 3.01511 -4.57747 -34.4236 -4.57745 -29.0482 GPRESSAVG: 4718200 30.6219 -11.5347 -32.6863 -13.8903 2.91929 -4.3774 -36.2121 -5.51155 -28.2708 TIMING: 4718200 CPU: 14188.7, 0.00301973/step Wall: 14188.7, 0.00301973/step, 0.236378 hours remaining, 208.500000 MB of memory in use. ENERGY: 4718200 739.0242 2111.2217 1951.1455 111.3973 -206414.1267 17899.4870 0.0000 0.0000 34275.3342 -149326.5168 299.3350 -183601.8510 -149233.4226 299.3080 -31.5827 -0.2732 557946.9483 1.5476 1.7568 PRESSURE: 4718400 88.6027 2.62237 -48.2286 2.62301 154.852 21.5727 -48.2289 21.5727 -69.2622 GPRESSURE: 4718400 125.704 47.9418 46.7572 -43.2709 133.771 13.0497 -32.0562 74.321 12.099 PRESSAVG: 4718400 22.8238 -21.3322 -47.373 -21.3322 38.3831 -6.15132 -47.373 -6.15131 -56.0516 GPRESSAVG: 4718400 22.7271 -19.9322 -48.5857 -20.3357 39.2624 -5.78541 -45.1934 -5.53848 -56.5212 TIMING: 4718400 CPU: 14189.3, 0.00302205/step Wall: 14189.3, 0.00302205/step, 0.236392 hours remaining, 208.500000 MB of memory in use. ENERGY: 4718400 739.7858 2036.4470 1929.7249 122.8277 -206423.7430 17980.0783 0.0000 0.0000 34295.6482 -149319.2311 299.5124 -183614.8793 -149220.3716 298.4188 58.0642 90.5246 557756.8200 1.7184 1.8228 PRESSURE: 4718600 246.952 -81.0983 21.329 -81.0995 -304.701 97.0593 21.3291 97.0602 -152.238 GPRESSURE: 4718600 242.783 -32.7031 75.7831 -72.6173 -188.762 65.5417 30.7766 134.415 -168.265 PRESSAVG: 4718600 -14.9016 -27.5224 13.4391 -27.5223 60.083 -25.357 13.4392 -25.357 -104.1 GPRESSAVG: 4718600 -14.1547 -27.3654 14.4311 -26.5419 59.4852 -26.2081 9.87564 -26.656 -104.188 TIMING: 4718600 CPU: 14189.9, 0.00302932/step Wall: 14189.9, 0.00302932/step, 0.236792 hours remaining, 208.500000 MB of memory in use. ENERGY: 4718600 729.9961 2133.8222 1924.3108 120.9021 -206091.7574 17687.6379 0.0000 0.0000 34226.5615 -149268.5268 298.9091 -183495.0883 -149168.7374 298.9117 -69.9956 -38.0813 558295.0947 -19.6397 -19.6191 PRESSURE: 4718800 -12.5732 -49.1297 -24.7189 -49.1299 109.765 62.2621 -24.7198 62.2618 80.9474 GPRESSURE: 4718800 9.5733 -100.986 -26.4188 -31.4668 149.441 70.5018 14.387 50.6995 123.083 PRESSAVG: 4718800 12.7185 -54.4044 -35.3142 -54.4044 -14.0881 32.1305 -35.3143 32.1305 -26.4857 GPRESSAVG: 4718800 13.0498 -51.7065 -36.7994 -55.4279 -13.2468 33.913 -33.3892 32.5552 -27.362 TIMING: 4718800 CPU: 14190.5, 0.00302665/step Wall: 14190.5, 0.00302665/step, 0.236415 hours remaining, 208.500000 MB of memory in use. ENERGY: 4718800 722.8245 2155.9264 1934.1861 104.8532 -206145.1791 17691.5769 0.0000 0.0000 34406.6614 -149129.1505 300.4819 -183535.8119 -149034.7605 299.4968 59.3798 94.0322 556498.3468 -9.2851 -9.1863 PRESSURE: 4719000 -29.2959 -74.6196 39.1647 -74.6192 22.2841 -42.2895 39.1652 -42.2891 31.8584 GPRESSURE: 4719000 8.58168 -63.193 -10.1709 -110.251 31.4462 -54.238 57.0538 -75.6675 91.0735 PRESSAVG: 4719000 8.54482 43.0961 11.2079 43.096 -8.62851 8.57625 11.2078 8.57617 -8.44266 GPRESSAVG: 4719000 9.12834 38.092 9.6269 44.9731 -8.79445 6.10289 14.6175 8.4345 -8.51873 TIMING: 4719000 CPU: 14191.1, 0.00301276/step Wall: 14191.1, 0.00301276/step, 0.235163 hours remaining, 208.500000 MB of memory in use. ENERGY: 4719000 750.1751 2122.7844 1938.1893 105.5833 -206327.2793 17883.2090 0.0000 0.0000 34632.5632 -148894.7750 302.4548 -183527.3381 -148793.4983 300.7865 8.2822 43.7005 558625.1707 -2.8421 -2.7283 PRESSURE: 4719200 -390.326 38.3663 -96.6658 38.3663 -121.177 70.4691 -96.6659 70.469 -354.021 GPRESSURE: 4719200 -381.209 57.4142 -103.906 -17.3854 -123.003 -58.6834 -46.6784 118.232 -268.065 PRESSAVG: 4719200 -25.1559 21.1985 29.2422 21.1983 65.0183 4.42661 29.2421 4.42655 -36.6986 GPRESSAVG: 4719200 -26.0121 24.1886 32.3422 18.1935 65.9675 5.48857 26.1414 5.23037 -36.8056 TIMING: 4719200 CPU: 14191.7, 0.00301405/step Wall: 14191.7, 0.00301405/step, 0.235096 hours remaining, 208.500000 MB of memory in use. ENERGY: 4719200 749.7342 2099.6212 1916.5620 100.1893 -205747.6683 17368.2599 0.0000 0.0000 34561.4598 -148951.8420 301.8338 -183513.3018 -148849.1853 299.9429 -288.5078 -257.4257 558472.9577 1.0546 1.0500 PRESSURE: 4719400 301.314 -74.4126 113.384 -74.4142 225.14 14.7744 113.384 14.7753 -194.646 GPRESSURE: 4719400 301.482 -79.2949 116.014 -65.5125 245.29 43.6858 77.6017 -85.2488 -132.582 PRESSAVG: 4719400 -1.16506 48.016 13.5984 48.016 27.7564 20.1752 13.5984 20.1753 -58.035 GPRESSAVG: 4719400 -1.55471 44.9518 13.7668 49.6343 26.4537 20.512 12.5263 19.0473 -56.6109 TIMING: 4719400 CPU: 14192.3, 0.00302551/step Wall: 14192.3, 0.00302551/step, 0.235822 hours remaining, 208.500000 MB of memory in use. ENERGY: 4719400 730.0233 2128.7259 1904.0534 105.3091 -206244.1646 17995.6678 0.0000 0.0000 34505.7726 -148874.6125 301.3475 -183380.3851 -148773.7851 300.5078 110.6029 138.0632 557860.3711 -10.4812 -10.5706 PRESSURE: 4719600 204.957 -120.826 -127.174 -120.825 114.192 42.8652 -127.174 42.8662 75.1975 GPRESSURE: 4719600 191.53 -233.484 -157.526 -34.3408 176.509 85.5549 -36.291 4.84177 126.083 PRESSAVG: 4719600 -22.7347 2.39142 -1.74591 2.39151 2.01159 33.485 -1.74588 33.4851 26.7775 GPRESSAVG: 4719600 -21.8801 0.737698 -3.97705 4.40126 2.14312 33.791 0.585708 32.5642 25.4323 TIMING: 4719600 CPU: 14192.9, 0.00300643/step Wall: 14192.9, 0.00300643/step, 0.234167 hours remaining, 208.500000 MB of memory in use. ENERGY: 4719600 711.8667 2111.1361 1952.1091 97.8104 -206150.9251 18110.6072 0.0000 0.0000 34285.0925 -148882.3031 299.4202 -183167.3955 -148789.8107 300.1043 131.4489 164.7071 558452.7187 2.0181 1.8984 PRESSURE: 4719800 -227.576 11.1931 -63.3283 11.1928 -304.813 189.774 -63.3265 189.775 39.8999 GPRESSURE: 4719800 -131.472 62.7975 27.581 29.609 -279.974 143.205 -153.856 174.282 0.525786 PRESSAVG: 4719800 -69.6491 -12.2539 -2.56658 -12.2539 0.573438 -44.4412 -2.56659 -44.4412 25.8037 GPRESSAVG: 4719800 -71.2411 -9.12074 -0.618976 -13.9693 1.49504 -44.5612 -5.33103 -43.4175 25.7629 TIMING: 4719800 CPU: 14193.5, 0.00304205/step Wall: 14193.5, 0.00304205/step, 0.236773 hours remaining, 208.500000 MB of memory in use. ENERGY: 4719800 735.6818 2099.0005 1940.3244 104.1098 -205605.6492 17514.4202 0.0000 0.0000 34425.4935 -148786.6190 300.6464 -183212.1126 -148684.0114 300.5265 -164.1632 -136.9735 559655.3852 -14.4240 -14.6610 PRESSURE: 4720000 -153.934 -4.18469 -104.479 -4.18475 -68.7345 65.3174 -104.48 65.318 -141.18 GPRESSURE: 4720000 -84.4584 -6.13109 -84.4579 50.5672 -25.1923 99.2338 -62.4224 49.6222 -154.77 PRESSAVG: 4720000 28.9297 17.7512 57.4352 17.7513 16.8754 -23.9727 57.4352 -23.9726 -19.8704 GPRESSAVG: 4720000 30.3101 15.0884 57.4508 22.0058 16.9434 -25.3903 59.2809 -23.1396 -21.0372 TIMING: 4720000 CPU: 14194.2, 0.00306029/step Wall: 14194.2, 0.00306029/step, 0.238023 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: 4720000 766.7570 2030.7688 1940.3095 127.0151 -205670.6941 17728.7867 0.0000 0.0000 34140.4419 -148936.6151 298.1570 -183077.0570 -148845.5693 299.6744 -121.2827 -88.1401 559046.7334 8.6449 8.7388 PRESSURE: 4720200 -98.7374 -85.5049 20.7618 -85.5035 -310.427 109.717 20.7624 109.716 9.10305 GPRESSURE: 4720200 -56.7492 25.4276 0.429448 -108.873 -324.512 106.014 -8.27996 97.3839 80.4926 PRESSAVG: 4720200 -21.0348 -46.4704 22.9201 -46.4704 23.5348 33.6069 22.9202 33.6068 -42.2267 GPRESSAVG: 4720200 -20.8666 -45.3254 25.2588 -50.4488 21.8787 35.9306 21.5748 32.5886 -40.5126 TIMING: 4720200 CPU: 14194.8, 0.00303607/step Wall: 14194.8, 0.00303607/step, 0.23597 hours remaining, 208.500000 MB of memory in use. ENERGY: 4720200 739.7583 2134.5536 1921.2133 108.1402 -205655.5555 17578.9203 0.0000 0.0000 34076.3798 -149096.5901 297.5975 -183172.9699 -148998.9573 300.0894 -133.3537 -100.2563 559226.8219 -13.2423 -13.1668 LDB: ============= START OF LOAD BALANCING ============== 14198.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14198.2 LDB: =============== DONE WITH MIGRATION ================ 14198.2 LDB: ============= START OF LOAD BALANCING ============== 14198.5 LDB: Largest compute 4820 load 0.027113 is 23.0% of average load 0.118118 LDB: Average compute 0.001736 is 1.5% of average load 0.118118 LDB: TIME 14198.5 LOAD: AVG 0.118118 MAX 0.215585 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.352 MB LDB: TIME 14198.5 LOAD: AVG 0.118118 MAX 0.215585 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.551 MB LDB: TIME 14198.5 LOAD: AVG 0.118118 MAX 0.215585 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.551 MB LDB: Reverting to original mapping 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: 4720400 -154.318 164.446 -31.7206 164.448 -309.886 68.9951 -31.721 68.995 -116.628 GPRESSURE: 4720400 -130.44 64.0702 -89.9298 162.301 -282.895 94.1326 -68.0904 42.6302 -66.9891 PRESSAVG: 4720400 5.56005 25.9975 -62.3025 25.9976 -26.7178 33.0568 -62.3025 33.0568 19.8965 GPRESSAVG: 4720400 4.40619 26.4998 -66.044 25.9285 -25.775 29.8163 -58.1947 34.812 19.4229 TIMING: 4720400 CPU: 14195.4, 0.00307776/step Wall: 14195.4, 0.00307776/step, 0.239039 hours remaining, 207.847656 MB of memory in use. ENERGY: 4720400 752.5739 2135.4817 1907.9953 122.9114 -205894.3934 17484.4037 0.0000 0.0000 34388.1069 -149102.9205 300.3199 -183491.0274 -149011.1832 299.3288 -193.6105 -160.1082 558076.1625 -0.4204 -0.6486 PRESSURE: 4720600 55.0483 -54.8053 13.8787 -54.8048 70.3249 60.5184 13.8782 60.5185 -81.6178 GPRESSURE: 4720600 80.6101 22.9501 -46.2783 -60.6492 109.576 16.644 66.7021 47.9811 -50.0886 PRESSAVG: 4720600 24.3969 53.2904 8.86765 53.2903 -25.1774 -18.287 8.86761 -18.287 6.74636 GPRESSAVG: 4720600 25.5564 53.0858 10.9284 53.5805 -25.0958 -15.0812 6.91945 -20.4804 5.58166 TIMING: 4720600 CPU: 14196, 0.00305319/step Wall: 14196, 0.00305319/step, 0.236961 hours remaining, 207.847656 MB of memory in use. ENERGY: 4720600 747.0751 2026.4757 1928.5685 109.0699 -205571.2997 17570.4082 0.0000 0.0000 34199.2291 -148990.4732 298.6704 -183189.7023 -148900.6488 299.2397 14.5852 46.6993 558132.2954 1.9886 2.0141 PRESSURE: 4720800 92.3337 142.639 -124.669 142.639 123.059 -28.4168 -124.669 -28.4171 -55.3136 GPRESSURE: 4720800 77.1996 139.796 -93.0259 107.929 203.245 9.77484 -137.804 -83.408 -16.4547 PRESSAVG: 4720800 -0.857147 -10.9115 -34.9578 -10.9115 65.952 -38.3856 -34.9578 -38.3855 -64.7527 GPRESSAVG: 4720800 -1.12603 -9.34772 -35.4992 -10.6185 65.7614 -38.3941 -36.0799 -38.5213 -64.1906 TIMING: 4720800 CPU: 14196.6, 0.00303486/step Wall: 14196.6, 0.00303486/step, 0.23537 hours remaining, 207.847656 MB of memory in use. ENERGY: 4720800 747.9215 2062.6343 1943.7057 112.5488 -206049.1153 17734.2541 0.0000 0.0000 34500.0922 -148947.9587 301.2979 -183448.0509 -148851.1063 299.8800 53.3597 87.9965 556509.6382 0.1140 0.1483 PRESSURE: 4721000 -114.392 120.23 36.1155 120.231 -256.593 22.0068 36.1163 22.0052 -74.1245 GPRESSURE: 4721000 -90.6343 93.1357 74.1397 139.529 -218.959 98.3013 39.094 -121.795 -29.9344 PRESSAVG: 4721000 -16.5742 34.4591 -2.42222 34.4591 10.783 -22.5335 -2.4222 -22.5335 17.7669 GPRESSAVG: 4721000 -17.7338 32.1821 -1.25106 35.0804 10.2185 -22.4371 -2.63594 -23.0235 19.1857 TIMING: 4721000 CPU: 14197.2, 0.00304427/step Wall: 14197.2, 0.00304427/step, 0.235931 hours remaining, 207.847656 MB of memory in use. ENERGY: 4721000 754.2802 2067.7030 1937.7456 123.0009 -205935.7526 17615.8952 0.0000 0.0000 34379.3612 -149057.7665 300.2435 -183437.1277 -148963.4709 299.6615 -148.3699 -113.1759 557789.7389 3.9919 3.8901 PRESSURE: 4721200 -472.768 88.7201 -7.90661 88.7217 -226.972 31.9036 -7.90566 31.9024 -142.481 GPRESSURE: 4721200 -413.552 86.9823 -73.4293 165.387 -202.273 11.6317 37.182 -6.6674 -124.287 PRESSAVG: 4721200 55.5083 14.1294 36.17 14.1294 -1.91136 -52.9738 36.1698 -52.9738 -49.9567 GPRESSAVG: 4721200 56.6094 14.9714 35.1788 12.5994 -0.603526 -55.4003 37.488 -49.8566 -52.2451 TIMING: 4721200 CPU: 14197.8, 0.00302406/step Wall: 14197.8, 0.00302406/step, 0.234196 hours remaining, 207.847656 MB of memory in use. ENERGY: 4721200 762.2541 2010.2638 1931.5375 117.0979 -205840.1917 17538.9496 0.0000 0.0000 34367.3350 -149112.7539 300.1385 -183480.0889 -149011.3750 300.0796 -280.7405 -246.7044 559020.7326 1.2134 1.2536 PRESSURE: 4721400 35.289 -61.5806 -126.037 -61.5799 174.438 28.1596 -126.037 28.1587 -75.7545 GPRESSURE: 4721400 67.9957 -100.302 -122.226 -49.4962 209.686 47.4769 -88.2098 56.1345 -35.373 PRESSAVG: 4721400 10.0097 -0.637756 7.09193 -0.637667 -27.8242 56.5953 7.09197 56.5953 1.08195 GPRESSAVG: 4721400 9.1791 -2.00814 7.24402 1.76756 -28.0664 57.1691 5.88705 55.261 2.6798 TIMING: 4721400 CPU: 14198.4, 0.00304586/step Wall: 14198.4, 0.00304586/step, 0.235715 hours remaining, 207.847656 MB of memory in use. ENERGY: 4721400 752.5695 2065.0646 1930.8238 106.2353 -206656.1759 17979.3200 0.0000 0.0000 34513.4647 -149308.6981 301.4147 -183822.1628 -149212.0340 299.2205 44.6574 80.7694 556724.1302 -5.5775 -5.4025 PRESSURE: 4721600 227.45 -47.1957 68.7209 -47.1969 -277.921 -152.627 68.7203 -152.627 -45.0579 GPRESSURE: 4721600 278.363 -4.27743 46.3827 -13.6076 -244.399 -212.94 35.2448 -94.5243 -28.9178 PRESSAVG: 4721600 42.6018 80.1813 10.9739 80.1813 26.3835 16.2309 10.9738 16.231 -52.5305 GPRESSAVG: 4721600 44.1923 81.8098 11.9388 78.3746 25.4325 16.7334 9.90599 17.489 -53.0281 TIMING: 4721600 CPU: 14199, 0.00306036/step Wall: 14199, 0.00306036/step, 0.236668 hours remaining, 207.847656 MB of memory in use. ENERGY: 4721600 739.3030 2123.3901 1919.5633 112.4213 -206397.4630 17807.4666 0.0000 0.0000 34308.1468 -149387.1718 299.6216 -183695.3186 -149291.5072 298.9532 -31.8427 1.6818 556587.5718 5.4849 5.5322 PRESSURE: 4721800 -40.0211 -183.723 30.0592 -183.722 -139.535 -86.0116 30.0601 -86.011 -310.693 GPRESSURE: 4721800 -15.659 -227.89 25.6521 -221.776 -94.9355 -176.754 -11.2892 -15.6809 -284.154 PRESSAVG: 4721800 10.6007 -43.0582 10.8004 -43.0582 14.7237 53.203 10.8004 53.203 -36.1983 GPRESSAVG: 4721800 10.1151 -43.5525 10.2764 -42.2182 15.1938 55.0115 12.5727 52.0684 -36.2162 TIMING: 4721800 CPU: 14199.6, 0.00304801/step Wall: 14199.6, 0.00304801/step, 0.235543 hours remaining, 207.847656 MB of memory in use. ENERGY: 4721800 752.9716 2134.7559 1933.9079 117.9881 -206291.4736 17602.5803 0.0000 0.0000 34163.1103 -149586.1596 298.3549 -183749.2699 -149489.2597 298.8862 -163.4162 -131.5827 556085.6952 -3.6246 -3.6358 PRESSURE: 4722000 79.0402 104.081 -13.0313 104.08 25.8802 -108.772 -13.0318 -108.77 165.648 GPRESSURE: 4722000 103.356 101.541 -9.86614 162.117 84.3708 -42.9801 -42.2781 -103.294 178.339 PRESSAVG: 4722000 42.4121 -50.2865 4.70393 -50.2866 -4.82093 14.0971 4.70408 14.0972 -12.85 GPRESSAVG: 4722000 42.4666 -50.9235 4.27542 -50.5514 -4.21552 12.6643 3.56532 14.0026 -13.7874 TIMING: 4722000 CPU: 14200.2, 0.00301862/step Wall: 14200.2, 0.00301862/step, 0.233105 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: 4722000 729.8144 2063.9169 1912.8434 106.2954 -206708.6413 18045.9294 0.0000 0.0000 34231.4578 -149618.3840 298.9518 -183849.8418 -149526.2016 298.6410 90.1894 122.0220 556782.1448 8.2471 8.1546 PRESSURE: 4722200 -113.94 -143.518 -32.3405 -143.517 4.38306 -13.9643 -32.3401 -13.9645 8.6047 GPRESSURE: 4722200 -80.3209 -102.558 -32.3657 -80.5105 36.6872 -62.0342 11.1414 -4.80319 47.8439 PRESSAVG: 4722200 25.1924 14.6072 1.46735 14.6072 29.4531 32.9584 1.46729 32.9585 -34.6305 GPRESSAVG: 4722200 25.3697 17.6479 3.12828 11.956 30.4875 34.0772 1.4686 33.2195 -35.4792 TIMING: 4722200 CPU: 14200.9, 0.00302217/step Wall: 14200.9, 0.00302217/step, 0.233211 hours remaining, 207.847656 MB of memory in use. ENERGY: 4722200 745.0202 2090.9866 1929.4374 114.2657 -206491.0656 18029.1391 0.0000 0.0000 34161.6497 -149420.5670 298.3422 -183582.2167 -149325.7599 297.9063 -33.6506 1.4034 558151.1953 6.6716 6.7927 PRESSURE: 4722400 -159.833 124.407 -78.9164 124.408 98.4983 135.094 -78.9144 135.095 -101.361 GPRESSURE: 4722400 -148.133 136.768 -44.2397 98.4935 109.059 170.354 -160.96 85.6793 -27.4674 PRESSAVG: 4722400 -44.8032 7.08502 7.93456 7.08498 43.8402 -6.77701 7.93455 -6.77705 -2.79242 GPRESSAVG: 4722400 -45.1267 3.22097 5.62958 9.81515 43.4427 -8.09332 8.13564 -7.65477 -1.93184 TIMING: 4722400 CPU: 14201.5, 0.00302097/step Wall: 14201.5, 0.00302097/step, 0.23295 hours remaining, 207.847656 MB of memory in use. ENERGY: 4722400 736.7543 2093.8647 1927.5569 124.8784 -206427.2377 17848.9553 0.0000 0.0000 34247.1470 -149448.0811 299.0889 -183695.2281 -149351.4867 298.8331 -54.2321 -22.1804 558646.4777 -1.2518 -1.2053 PRESSURE: 4722600 66.3019 1.10101 147.884 1.10164 -9.8943 41.819 147.884 41.8192 109.281 GPRESSURE: 4722600 110.629 5.70371 189.857 79.2655 29.5177 137.433 87.5066 -12.1317 131.755 PRESSAVG: 4722600 61.8309 -4.09933 -17.4905 -4.09939 25.6576 -37.2001 -17.4904 -37.2 -54.6755 GPRESSAVG: 4722600 60.9367 -2.19719 -14.9602 -5.76711 25.7396 -38.7573 -20.4754 -35.818 -53.904 TIMING: 4722600 CPU: 14202.1, 0.00303451/step Wall: 14202.1, 0.00303451/step, 0.233826 hours remaining, 207.847656 MB of memory in use. ENERGY: 4722600 751.2378 2093.8630 1943.0034 113.7979 -206534.8098 17911.0085 0.0000 0.0000 34213.5441 -149508.3551 298.7954 -183721.8992 -149412.2531 298.1172 55.2295 90.6338 556759.5200 10.9376 10.9241 PRESSURE: 4722800 -196.792 105.458 -56.4465 105.459 -208.021 -170.775 -56.4482 -170.775 71.2318 GPRESSURE: 4722800 -178.055 84.1383 -25.1289 69.5314 -200.61 -187.033 -114.714 -156.437 155.999 PRESSAVG: 4722800 5.96878 34.5035 -13.419 34.5034 21.2951 -20.5122 -13.419 -20.5122 -3.49929 GPRESSAVG: 4722800 7.11455 33.2665 -14.7393 36.7823 20.6056 -19.492 -10.0421 -21.1023 -3.97949 TIMING: 4722800 CPU: 14202.7, 0.00301432/step Wall: 14202.7, 0.00301432/step, 0.232102 hours remaining, 207.847656 MB of memory in use. ENERGY: 4722800 731.4066 2091.6137 1936.2795 117.7337 -206235.5220 17685.9062 0.0000 0.0000 34195.2522 -149477.3300 298.6356 -183672.5822 -149375.8056 298.2652 -111.1937 -74.2221 557067.5358 7.9215 7.9135 PRESSURE: 4723000 30.9521 130.126 -43.8506 130.126 -190.375 30.804 -43.8509 30.8041 42.0043 GPRESSURE: 4723000 45.7729 48.8194 -89.5606 153.844 -195.57 42.1008 -54.3864 33.3594 142.892 PRESSAVG: 4723000 -0.802419 30.2208 -3.87322 30.2209 -45.3363 -6.78179 -3.87325 -6.78184 31.2697 GPRESSAVG: 4723000 -1.22435 29.2073 -3.34457 31.5768 -44.2722 -8.18393 -5.50551 -5.59729 30.5712 TIMING: 4723000 CPU: 14203.3, 0.00305351/step Wall: 14203.3, 0.00305351/step, 0.234951 hours remaining, 207.847656 MB of memory in use. ENERGY: 4723000 747.2303 2070.6464 1949.9121 126.8506 -206168.9867 17658.8851 0.0000 0.0000 34146.3038 -149469.1583 298.2082 -183615.4621 -149374.4706 299.1310 -39.1394 -2.3018 557336.5681 -4.9563 -4.9751 PRESSURE: 4723200 -3.16221 111.619 -51.2721 111.618 199.791 124.447 -51.2717 124.448 34.0411 GPRESSURE: 4723200 45.4862 104.95 26.0559 117.166 211.791 194.936 -111.942 58.2858 63.7471 PRESSAVG: 4723200 3.67086 2.78015 -63.106 2.78013 -31.6167 13.2046 -63.106 13.2046 42.5416 GPRESSAVG: 4723200 2.81022 2.02591 -63.7451 3.37274 -32.1134 11.9897 -61.4033 14.1666 43.694 TIMING: 4723200 CPU: 14203.9, 0.00302892/step Wall: 14203.9, 0.00302892/step, 0.23289 hours remaining, 207.847656 MB of memory in use. ENERGY: 4723200 746.1940 2128.6491 1943.2748 95.6045 -206599.2419 18070.6393 0.0000 0.0000 34171.9965 -149442.8837 298.4325 -183614.8802 -149348.4691 298.6990 76.8898 107.0082 556395.5917 4.8653 4.7970 PRESSURE: 4723400 -32.5597 93.1649 -114.464 93.1656 -77.7366 28.8255 -114.464 28.8243 168.393 GPRESSURE: 4723400 45.8352 104.67 -58.8232 89.1557 -42.3232 -9.53065 -131.189 73.1101 150.295 PRESSAVG: 4723400 -36.7035 -17.0982 -12.993 -17.0983 24.2671 -50.5419 -12.9931 -50.5418 -5.39555 GPRESSAVG: 4723400 -36.2625 -14.8139 -13.0283 -18.9847 25.2546 -48.656 -14.5006 -51.4597 -6.73856 TIMING: 4723400 CPU: 14204.5, 0.00302262/step Wall: 14204.5, 0.00302262/step, 0.232238 hours remaining, 207.847656 MB of memory in use. ENERGY: 4723400 723.0585 2104.9038 1974.6175 118.2906 -206329.5541 17799.7820 0.0000 0.0000 34204.0047 -149404.8970 298.7121 -183608.9017 -149307.7882 299.1378 19.3655 51.2690 556475.3773 -5.9440 -5.9155 PRESSURE: 4723600 113.012 73.2733 -88.5038 73.2737 -123.167 0.370381 -88.503 0.371117 -98.8809 GPRESSURE: 4723600 139.636 53.645 21.4348 139.668 -72.9727 -19.1857 -117.115 -24.3895 -72.538 PRESSAVG: 4723600 -11.6233 44.0489 -24.236 44.049 -6.58146 -16.8277 -24.2359 -16.8277 -19.7069 GPRESSAVG: 4723600 -11.7176 43.5788 -23.0878 42.7318 -7.81509 -19.0148 -26.3274 -16.4907 -18.2172 TIMING: 4723600 CPU: 14205.1, 0.00301403/step Wall: 14205.1, 0.00301404/step, 0.231411 hours remaining, 207.847656 MB of memory in use. ENERGY: 4723600 719.9231 2037.6227 1941.6179 116.5839 -206115.0128 17682.2106 0.0000 0.0000 34114.0247 -149503.0299 297.9263 -183617.0546 -149405.9970 298.5165 -36.3455 -1.9583 557206.1875 -12.6372 -12.5833 PRESSURE: 4723800 57.4279 29.7186 177.2 29.7185 -98.8953 51.8183 177.199 51.8183 27.7559 GPRESSURE: 4723800 141.18 71.6706 126.093 57.9782 -125.975 93.3607 194.268 39.916 69.78 PRESSAVG: 4723800 -26.9635 8.87888 -7.77758 8.87901 40.9962 -32.3657 -7.77763 -32.3657 9.74271 GPRESSAVG: 4723800 -25.0844 7.96467 -9.28377 8.77839 41.0543 -31.1803 -5.4022 -32.945 7.70012 TIMING: 4723800 CPU: 14205.7, 0.00300703/step Wall: 14205.7, 0.00300703/step, 0.230706 hours remaining, 207.847656 MB of memory in use. ENERGY: 4723800 756.5502 2070.0272 1952.7536 107.1183 -206087.7721 17736.5226 0.0000 0.0000 33992.6319 -149472.1681 296.8661 -183464.8000 -149371.0087 298.2104 -4.5705 28.3286 557129.5731 7.9251 7.8900 PRESSURE: 4724000 -67.9461 -103.075 121.915 -103.075 -175.576 30.1799 121.914 30.1781 -297.926 GPRESSURE: 4724000 -68.9067 -103.574 44.6927 -162.141 -118.894 66.7971 117.237 71.6552 -245.608 PRESSAVG: 4724000 23.8571 -3.56102 64.7657 -3.56099 81.7186 -8.36794 64.7658 -8.36803 -90.9901 GPRESSAVG: 4724000 21.4519 -6.08185 64.8379 -0.0842094 83.5125 -7.29532 63.5618 -8.97383 -90.2276 TIMING: 4724000 CPU: 14206.3, 0.00301915/step Wall: 14206.3, 0.00301915/step, 0.231468 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: 4724000 754.6094 2052.3250 1935.3897 108.9644 -205704.8886 17481.0470 0.0000 0.0000 33974.3847 -149398.1684 296.7068 -183372.5531 -149302.2686 298.2942 -180.4828 -144.4696 557194.4455 4.8619 4.9123 PRESSURE: 4724200 54.4855 245.41 85.7648 245.41 207.157 -33.5045 85.765 -33.5054 65.0462 GPRESSURE: 4724200 93.1978 383.715 119.436 163.021 207.728 64.1698 140.685 -86.9537 116.804 PRESSAVG: 4724200 121.847 4.1706 -9.35137 4.17061 11.6873 39.6596 -9.35132 39.6596 -106.957 GPRESSAVG: 4724200 125.167 6.66325 -9.84357 1.31643 7.96253 41.389 -6.03912 37.4621 -106.415 TIMING: 4724200 CPU: 14206.9, 0.00302535/step Wall: 14206.9, 0.00302535/step, 0.231776 hours remaining, 207.847656 MB of memory in use. ENERGY: 4724200 732.6143 1995.4014 1945.2896 116.3058 -206077.3894 17974.0268 0.0000 0.0000 34057.3630 -149256.3883 297.4314 -183313.7514 -149163.9083 297.9957 108.8963 139.2432 557445.7465 8.8588 8.9049 LDB: ============= START OF LOAD BALANCING ============== 14210.3 LDB: ============== END OF LOAD BALANCING =============== 14210.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14210.3 LDB: ============= START OF LOAD BALANCING ============== 14210.6 LDB: Largest compute 4820 load 0.027797 is 23.5% of average load 0.118107 LDB: Average compute 0.001740 is 1.5% of average load 0.118107 LDB: TIME 14210.6 LOAD: AVG 0.118107 MAX 0.21176 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 14210.6 LOAD: AVG 0.118107 MAX 0.21176 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.789 MB LDB: TIME 14210.6 LOAD: AVG 0.118107 MAX 0.21176 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.789 MB LDB: ============== END OF LOAD BALANCING =============== 14210.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14210.6 PRESSURE: 4724400 -76.1092 127.374 151.612 127.373 2.79142 89.896 151.611 89.8981 -18.3832 GPRESSURE: 4724400 -57.4403 59.8427 163.137 66.3472 10.6753 147.197 119.983 64.5686 49.5935 PRESSAVG: 4724400 -5.64613 12.5128 -23.1622 12.5127 37.0005 39.2572 -23.1622 39.2573 -22.904 GPRESSAVG: 4724400 -8.55728 13.7341 -22.7501 12.0131 39.0623 36.0586 -26.6241 41.8828 -22.3973 TIMING: 4724400 CPU: 14207.5, 0.00307462/step Wall: 14207.5, 0.00307462/step, 0.235379 hours remaining, 207.789062 MB of memory in use. ENERGY: 4724400 712.5425 2084.4021 1923.2805 115.3047 -206140.2985 17761.6341 0.0000 0.0000 34247.9309 -149295.2038 299.0957 -183543.1347 -149198.4014 299.1983 -30.5670 0.9429 557448.6258 2.8168 2.7026 PRESSURE: 4724600 117.142 -60.432 -20.0955 -60.4311 73.1886 114.137 -20.0955 114.136 -354.882 GPRESSURE: 4724600 105.9 -54.9016 -81.6542 -87.5464 75.9949 109.131 10.0925 186.938 -235.505 PRESSAVG: 4724600 3.95471 -1.77533 -37.2589 -1.77534 -21.8995 24.0633 -37.2589 24.0632 12.2577 GPRESSAVG: 4724600 4.00332 -2.90698 -37.5515 -0.588723 -22.0385 25.0705 -35.6476 23.8563 11.5785 TIMING: 4724600 CPU: 14208.1, 0.00301476/step Wall: 14208.1, 0.00301476/step, 0.230629 hours remaining, 207.789062 MB of memory in use. ENERGY: 4724600 745.0613 2081.6486 1940.9739 117.5673 -206399.3325 17966.5995 0.0000 0.0000 34164.6057 -149382.8763 298.3680 -183547.4821 -149286.9806 298.6137 -54.8505 -17.8701 557584.3473 -1.8957 -2.1522 PRESSURE: 4724800 -235.82 -23.1006 -85.8194 -23.1015 -148.271 -24.1069 -85.819 -24.1071 158.649 GPRESSURE: 4724800 -174.241 -52.1706 2.1125 47.5342 -160.332 -8.50826 -127.416 28.382 203.823 PRESSAVG: 4724800 19.178 -39.4302 9.91679 -39.4303 18.7876 -15.7878 9.91669 -15.7878 -7.01978 GPRESSAVG: 4724800 18.908 -39.4669 10.2059 -38.7078 17.9731 -15.887 10.23 -16.5066 -6.17352 TIMING: 4724800 CPU: 14208.7, 0.00299713/step Wall: 14208.7, 0.00299713/step, 0.229114 hours remaining, 207.789062 MB of memory in use. ENERGY: 4724800 729.8422 2131.6286 1972.8152 121.8224 -206062.9542 17716.1991 0.0000 0.0000 34272.2615 -149118.3853 299.3082 -183390.6467 -149014.7179 299.2136 -75.1475 -43.5833 557754.3937 10.3153 10.2359 PRESSURE: 4725000 226.779 12.7617 34.6758 12.762 -80.6964 -131.188 34.6769 -131.187 192.596 GPRESSURE: 4725000 283.181 -11.1451 13.7637 -46.7414 -27.9398 -18.1847 23.775 -131.108 182.664 PRESSAVG: 4725000 11.7508 -58.149 -69.1127 -58.149 -58.6186 5.14087 -69.1126 5.14079 26.7113 GPRESSAVG: 4725000 11.9705 -58.4377 -70.0288 -58.2181 -58.1603 4.14265 -68.2473 5.80535 25.9054 TIMING: 4725000 CPU: 14209.3, 0.00299046/step Wall: 14209.3, 0.00299046/step, 0.228438 hours remaining, 207.789062 MB of memory in use. ENERGY: 4725000 711.3901 2067.7479 1950.0026 121.8831 -205877.1853 17870.9933 0.0000 0.0000 34199.7500 -148955.4182 298.6749 -183155.1682 -148859.4688 299.8210 112.8927 145.9685 557956.8578 -6.7188 -6.7615 PRESSURE: 4725200 -7.39958 -76.3344 -159.839 -76.3335 23.7651 43.4337 -159.839 43.4336 -123.721 GPRESSURE: 4725200 21.81 -54.3252 -188.322 -128.241 23.3903 140.466 -171.765 38.3927 -43.7384 PRESSAVG: 4725200 52.5233 -33.5053 -10.822 -33.5053 -0.255855 1.52622 -10.822 1.5262 -37.4708 GPRESSAVG: 4725200 50.9866 -31.3715 -8.68062 -34.8492 -0.583344 2.84878 -12.4881 1.37898 -36.3963 TIMING: 4725200 CPU: 14209.9, 0.0029932/step Wall: 14209.9, 0.0029932/step, 0.228481 hours remaining, 207.789062 MB of memory in use. ENERGY: 4725200 772.4200 2054.0354 1948.9132 108.3033 -206057.3870 17843.3013 0.0000 0.0000 34452.4880 -148877.9257 300.8821 -183330.4137 -148777.6210 299.7076 -35.7850 0.4873 557845.9285 4.9322 4.6690 PRESSURE: 4725400 -215.09 32.7646 -68.5066 32.7635 -267.256 -208.217 -68.5053 -208.218 -115.041 GPRESSURE: 4725400 -231.553 14.6458 -104.534 7.29549 -205.043 -118.946 16.2018 -241.283 -64.2612 PRESSAVG: 4725400 -44.3111 21.3732 -36.9691 21.3731 9.18397 -25.4168 -36.9691 -25.4167 35.8954 GPRESSAVG: 4725400 -44.074 18.9987 -37.9872 23.5129 9.47765 -25.364 -35.6737 -24.5874 35.1327 TIMING: 4725400 CPU: 14210.5, 0.00300573/step Wall: 14210.5, 0.00300573/step, 0.22927 hours remaining, 207.789062 MB of memory in use. ENERGY: 4725400 781.8436 2051.7005 1903.0531 109.6849 -205683.7212 17626.7985 0.0000 0.0000 34485.4939 -148725.1467 301.1704 -183210.6406 -148632.7466 300.9980 -199.1290 -166.9524 559677.7881 0.2561 0.1788 PRESSURE: 4725600 -57.3339 -4.41275 -240.528 -4.41445 -89.8531 48.107 -240.529 48.1067 -261.872 GPRESSURE: 4725600 -14.7819 -44.8154 -140.826 145.257 -18.3195 32.567 -250.512 17.3202 -283.18 PRESSAVG: 4725600 -51.4005 -64.4522 -25.1433 -64.4523 51.8938 -9.86535 -25.1433 -9.86534 13.3581 GPRESSAVG: 4725600 -50.8447 -63.3743 -24.2618 -65.5713 51.917 -11.7875 -24.9668 -9.83704 12.9396 TIMING: 4725600 CPU: 14211.1, 0.00302036/step Wall: 14211.1, 0.00302036/step, 0.230218 hours remaining, 207.789062 MB of memory in use. ENERGY: 4725600 785.1730 2064.4496 1943.3860 108.2737 -205255.7993 17482.4383 0.0000 0.0000 34350.1002 -148521.9785 299.9880 -182872.0787 -148420.8023 300.4101 -136.3531 -105.4271 559431.7379 4.6171 4.6706 PRESSURE: 4725800 -70.0218 -97.4072 44.6779 -97.4081 214.737 131.643 44.6789 131.643 -192.434 GPRESSURE: 4725800 -29.8763 -159.985 -12.9208 -67.439 306.369 73.9737 -1.75447 181.733 -218.196 PRESSAVG: 4725800 5.39465 -42.2261 -40.9621 -42.2261 52.3745 -11.151 -40.9621 -11.1511 -36.619 GPRESSAVG: 4725800 5.75821 -44.2968 -42.0563 -41.909 52.3695 -12.4954 -40.1416 -11.0175 -36.1871 TIMING: 4725800 CPU: 14211.7, 0.00302993/step Wall: 14211.7, 0.00302993/step, 0.23078 hours remaining, 207.789062 MB of memory in use. ENERGY: 4725800 732.3820 2097.4705 1938.4185 108.4898 -205687.3264 17790.2057 0.0000 0.0000 34583.2000 -148437.1600 302.0237 -183020.3599 -148348.7648 301.7147 -15.9063 19.4321 558334.3677 7.0501 7.3135 PRESSURE: 4726000 -244.949 79.2992 63.5766 79.2985 15.3056 151.744 63.5763 151.742 -240.464 GPRESSURE: 4726000 -135.816 34.8652 -49.7278 16.5928 -21.2023 111.99 33.4109 212.243 -217.952 PRESSAVG: 4726000 54.6919 61.9619 23.2736 61.9618 -22.7561 27.462 23.2737 27.462 -38.6896 GPRESSAVG: 4726000 53.8948 62.3514 22.0486 61.6144 -22.088 29.5245 22.9149 26.6207 -38.2134 TIMING: 4726000 CPU: 14212.3, 0.00301754/step Wall: 14212.3, 0.00301754/step, 0.229669 hours remaining, 207.789062 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: 4726000 791.5645 2102.9387 1935.1553 117.6355 -205394.7177 17580.6072 0.0000 0.0000 34492.0256 -148374.7911 301.2274 -182866.8167 -148282.2303 301.5243 -156.7023 -124.9902 560069.7134 -2.2513 -2.1355 PRESSURE: 4726200 117.403 3.50307 -4.54823 3.50292 45.4746 -65.1109 -4.54832 -65.1102 27.4868 GPRESSURE: 4726200 132.68 51.106 11.2869 -53.2453 53.2008 -65.7254 -37.1517 -42.5739 101.32 PRESSAVG: 4726200 1.1624 -33.2795 0.758675 -33.2794 -4.10561 -29.5169 0.758556 -29.5169 -1.93143 GPRESSAVG: 4726200 0.279401 -29.717 2.53392 -35.1054 -4.11969 -29.4122 0.225403 -29.008 -1.44041 TIMING: 4726200 CPU: 14212.9, 0.0030083/step Wall: 14212.9, 0.0030083/step, 0.228798 hours remaining, 207.789062 MB of memory in use. ENERGY: 4726200 759.8977 2071.6871 1929.2148 109.8927 -205865.6351 17917.7749 0.0000 0.0000 34469.2213 -148607.9466 301.0283 -183077.1679 -148509.0803 300.7926 63.4547 95.7334 560356.1667 -1.6249 -1.7602 PRESSURE: 4726400 303.996 41.2111 -67.9692 41.2123 224.731 -89.1973 -67.9705 -89.2002 180.782 GPRESSURE: 4726400 349.377 72.8623 -90.7436 60.676 261.686 -97.8353 -80.3574 -60.6768 201.087 PRESSAVG: 4726400 -17.2617 -18.945 17.0282 -18.9449 -30.0426 -21.573 17.0282 -21.5731 2.78753 GPRESSAVG: 4726400 -16.6815 -19.6105 17.026 -19.8629 -30.1929 -22.1214 16.749 -22.3087 2.31133 TIMING: 4726400 CPU: 14213.5, 0.00299668/step Wall: 14213.5, 0.00299668/step, 0.227748 hours remaining, 207.789062 MB of memory in use. ENERGY: 4726400 745.7676 2063.1964 1922.3593 106.5493 -206061.5196 18246.6877 0.0000 0.0000 34503.9722 -148472.9870 301.3318 -182976.9592 -148378.6744 300.2706 236.5027 270.7167 560061.0950 -14.8389 -14.8544 PRESSURE: 4726600 -27.0292 -2.42441 109.526 -2.4244 82.8655 47.4159 109.525 47.4171 -134.716 GPRESSURE: 4726600 45.0968 -9.64072 98.4991 -46.6487 118.889 12.597 168.831 134.96 -141.85 PRESSAVG: 4726600 -45.6478 -20.154 -50.9103 -20.1539 29.5847 -41.5977 -50.9102 -41.5978 24.9223 GPRESSAVG: 4726600 -46.3146 -22.6318 -49.9857 -17.7352 30.3452 -40.5278 -51.2397 -41.2143 24.6196 TIMING: 4726600 CPU: 14214.1, 0.00301986/step Wall: 14214.1, 0.00301986/step, 0.229342 hours remaining, 207.789062 MB of memory in use. ENERGY: 4726600 730.9072 2132.6696 1919.9494 118.5239 -205531.3163 17742.3482 0.0000 0.0000 34490.3802 -148396.5376 301.2131 -182886.9178 -148296.5468 301.0483 -26.2933 7.3784 559388.2254 2.9530 2.8834 PRESSURE: 4726800 -89.558 -59.1172 24.3197 -59.1162 -259.863 -12.2061 24.3198 -12.2052 -29.9625 GPRESSURE: 4726800 -31.9012 -42.0723 14.413 -53.3697 -252.399 -34.8178 41.0612 -94.3157 -2.01597 PRESSAVG: 4726800 -29.4989 1.84808 -9.88194 1.84815 35.9029 -14.7586 -9.8818 -14.7587 -23.2965 GPRESSAVG: 4726800 -27.7218 1.62579 -12.3331 1.12667 34.3522 -15.7146 -8.90334 -15.0733 -23.2107 TIMING: 4726800 CPU: 14214.7, 0.00305698/step Wall: 14214.7, 0.00305698/step, 0.231991 hours remaining, 207.789062 MB of memory in use. ENERGY: 4726800 751.2462 2141.0161 1953.0346 116.2765 -205520.5545 17482.4810 0.0000 0.0000 34519.7385 -148556.7617 301.4695 -183076.5001 -148463.7034 301.1658 -126.4612 -95.4389 559226.0263 -5.6308 -5.5268 PRESSURE: 4727000 -80.0494 45.4086 -188.316 45.4089 143.318 -27.905 -188.316 -27.9036 229.078 GPRESSURE: 4727000 -22.4385 151.367 -134.989 -25.702 116.739 -45.2436 -147.709 -63.7726 279.852 PRESSAVG: 4727000 55.7676 11.9442 -22.6273 11.9442 -20.1033 3.55277 -22.6272 3.55277 -25.7725 GPRESSAVG: 4727000 56.5412 13.6012 -21.09 14.6968 -20.9509 3.38397 -21.9331 3.85622 -25.6961 TIMING: 4727000 CPU: 14215.4, 0.00303021/step Wall: 14215.4, 0.00303021/step, 0.229791 hours remaining, 207.789062 MB of memory in use. ENERGY: 4727000 748.3791 2093.4948 1954.0918 112.5739 -205935.6357 17793.3749 0.0000 0.0000 34562.3933 -148671.3279 301.8420 -183233.7211 -148582.2363 301.1278 97.4489 124.7174 556903.6013 3.2973 3.2981 PRESSURE: 4727200 -13.5083 -103.877 9.25181 -103.878 174.76 185.235 9.25246 185.235 141.28 GPRESSURE: 4727200 -17.5961 -127.409 63.4984 -76.6602 215.607 184.97 -40.2366 196.549 199.647 PRESSAVG: 4727200 -28.4028 -8.60826 -34.2252 -8.60837 16.9306 12.5604 -34.2252 12.5605 -6.46867 GPRESSAVG: 4727200 -29.8247 -8.39846 -34.2892 -10.6345 18.5631 12.0445 -36.3674 12.6225 -6.73859 TIMING: 4727200 CPU: 14216, 0.00305322/step Wall: 14216, 0.00305322/step, 0.231367 hours remaining, 207.789062 MB of memory in use. ENERGY: 4727200 732.1178 2165.6276 1944.1264 125.6751 -206045.2894 17981.2316 0.0000 0.0000 34546.3524 -148550.1583 301.7019 -183096.5108 -148443.2012 301.1409 100.8437 132.5525 557696.0534 -5.9803 -6.0000 PRESSURE: 4727400 -70.6375 -93.0923 -140.493 -93.0918 46.2594 34.7666 -140.492 34.765 -113.019 GPRESSURE: 4727400 -32.6978 -101.662 -110.224 -111.648 60.6473 12.0561 -122.99 108.714 -62.04 PRESSAVG: 4727400 -32.0511 12.3356 3.07002 12.3355 66.9986 -14.8772 3.07013 -14.8772 -28.6116 GPRESSAVG: 4727400 -31.4296 10.6949 5.20128 11.8276 66.9875 -13.2192 1.65758 -13.3122 -29.0825 TIMING: 4727400 CPU: 14216.6, 0.00305772/step Wall: 14216.6, 0.00305772/step, 0.231537 hours remaining, 207.789062 MB of memory in use. ENERGY: 4727400 728.0658 2122.6132 1930.3042 109.9734 -205750.7007 17735.0133 0.0000 0.0000 34618.9581 -148505.7727 302.3360 -183124.7308 -148409.5939 301.6343 -45.7991 -11.3635 559368.5813 2.1120 2.1585 PRESSURE: 4727600 -246.202 104.405 -14.3193 104.406 114.849 -84.5434 -14.3193 -84.5424 139.297 GPRESSURE: 4727600 -186.096 92.2985 33.6399 161.56 105.951 -59.348 1.40748 -78.6826 186.717 PRESSAVG: 4727600 -14.271 -42.202 8.15072 -42.202 15.2807 0.474454 8.15068 0.474582 45.1566 GPRESSAVG: 4727600 -13.8555 -42.0666 7.98204 -42.54 14.889 -0.725507 7.48866 -1.31553 45.0792 TIMING: 4727600 CPU: 14217.2, 0.00304975/step Wall: 14217.2, 0.00304975/step, 0.230765 hours remaining, 207.789062 MB of memory in use. ENERGY: 4727600 773.7443 2081.4602 1921.4873 120.9988 -205716.2129 17679.7671 0.0000 0.0000 34586.3936 -148552.3617 302.0516 -183138.7552 -148452.0631 301.5632 2.6483 35.5244 558732.3000 15.3888 15.3709 PRESSURE: 4727800 -147.544 -84.3828 262.552 -84.3815 110.462 89.3706 262.551 89.3706 -163.47 GPRESSURE: 4727800 -158.109 -68.8987 245.58 -27.8692 135.497 140.103 265.411 52.5848 -78.7752 PRESSAVG: 4727800 3.10939 25.9166 16.2211 25.9166 17.4253 -46.8077 16.2211 -46.8078 -10.8021 GPRESSAVG: 4727800 1.47114 28.7426 14.5142 26.383 18.9185 -45.3788 17.029 -46.0545 -9.93136 TIMING: 4727800 CPU: 14217.8, 0.00302004/step Wall: 14217.8, 0.00302004/step, 0.228348 hours remaining, 207.789062 MB of memory in use. ENERGY: 4727800 774.1898 2094.2543 1947.3264 112.0673 -205808.6223 17710.3331 0.0000 0.0000 34513.5966 -148656.8549 301.4158 -183170.4515 -148556.1381 301.1045 -66.8505 -33.7958 557640.3245 3.2442 3.4861 PRESSURE: 4728000 -99.1812 71.3781 -101.025 71.379 -7.11321 -122.514 -101.025 -122.514 -74.7502 GPRESSURE: 4728000 -72.8865 85.3541 -62.5849 91.9593 7.15219 -97.303 -137.312 -150.178 -21.8972 PRESSAVG: 4728000 46.0485 -4.90778 32.466 -4.90778 -24.05 34.4596 32.4659 34.4597 -61.5827 GPRESSAVG: 4728000 46.6814 -7.54715 31.9235 -4.33305 -24.6328 33.8086 33.8673 33.8483 -61.5985 TIMING: 4728000 CPU: 14218.4, 0.00300324/step Wall: 14218.4, 0.00300324/step, 0.226911 hours remaining, 207.789062 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: 4728000 777.9459 2028.8790 1934.1729 117.3555 -205498.5194 17586.0510 0.0000 0.0000 34309.0961 -148745.0190 299.6299 -183054.1151 -148647.3646 300.3620 -60.3482 -29.2105 557735.9733 -13.1948 -13.1833 PRESSURE: 4728200 188.723 -5.59939 209.122 -5.5996 104.95 17.2538 209.122 17.2536 -1.47143 GPRESSURE: 4728200 240.121 15.1081 225.376 7.83101 158.953 -28.2924 212.819 142.276 -11.1462 PRESSAVG: 4728200 67.9245 64.6702 -4.9271 64.6701 38.1718 63.1559 -4.92699 63.1559 -40.7349 GPRESSAVG: 4728200 68.4344 65.2761 -5.60501 64.4664 38.595 64.3883 -4.89246 61.6002 -41.2026 TIMING: 4728200 CPU: 14219, 0.00302431/step Wall: 14219, 0.00302431/step, 0.228336 hours remaining, 207.789062 MB of memory in use. ENERGY: 4728200 742.9732 2099.7517 1942.7697 103.4356 -205510.3718 17777.2895 0.0000 0.0000 34220.7443 -148623.4077 298.8583 -182844.1521 -148529.7811 300.6951 97.4003 129.3091 557363.6060 21.7872 21.9423 LDB: ============= START OF LOAD BALANCING ============== 14222.4 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14222.4 LDB: =============== DONE WITH MIGRATION ================ 14222.4 LDB: ============= START OF LOAD BALANCING ============== 14222.7 LDB: Largest compute 4820 load 0.028222 is 23.9% of average load 0.118118 LDB: Average compute 0.001736 is 1.5% of average load 0.118118 LDB: TIME 14222.7 LOAD: AVG 0.118118 MAX 0.21663 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 14222.7 LOAD: AVG 0.118118 MAX 0.21663 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: TIME 14222.7 LOAD: AVG 0.118118 MAX 0.21663 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: ============== END OF LOAD BALANCING =============== 14222.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14222.7 PRESSURE: 4728400 181.195 -71.271 32.3967 -71.2701 235.157 37.1591 32.3966 37.159 214.104 GPRESSURE: 4728400 228.547 -74.9435 49.93 25.1513 210.081 11.4194 99.908 -48.8644 276.175 PRESSAVG: 4728400 -6.29137 34.5848 3.04647 34.5847 -1.83964 0.853339 3.04646 0.853263 -48.6092 GPRESSAVG: 4728400 -6.56857 33.445 4.60662 34.9919 -2.67033 0.27896 1.62945 3.31889 -47.238 TIMING: 4728400 CPU: 14219.6, 0.00309668/step Wall: 14219.6, 0.00309668/step, 0.233627 hours remaining, 208.558594 MB of memory in use. ENERGY: 4728400 705.7447 2103.0596 1926.0361 117.5400 -206416.1076 18091.0262 0.0000 0.0000 34653.9485 -148818.7525 302.6416 -183472.7010 -148719.7136 300.7800 210.1520 238.2679 557369.3198 -18.9134 -18.8256 PRESSURE: 4728600 258.23 80.622 -207.338 80.6218 422.866 87.0736 -207.339 87.0744 464.715 GPRESSURE: 4728600 357.605 175.929 -133.471 70.1017 442.811 137.943 -195.116 98.5589 442.311 PRESSAVG: 4728600 13.3215 15.814 -47.1398 15.8141 15.7432 -10.6742 -47.1399 -10.6743 7.98023 GPRESSAVG: 4728600 12.8538 16.9901 -48.1823 15.4086 16.5778 -12.3639 -46.4436 -11.4985 7.28537 TIMING: 4728600 CPU: 14220.2, 0.00302461/step Wall: 14220.2, 0.00302461/step, 0.228022 hours remaining, 208.761719 MB of memory in use. ENERGY: 4728600 767.8333 2080.8790 1942.4313 113.8103 -206612.8942 18418.9892 0.0000 0.0000 34492.3582 -148796.5928 301.2303 -183288.9510 -148705.1692 300.6470 381.9371 414.2425 556437.6390 12.3483 12.2390 PRESSURE: 4728800 -249.618 75.8965 -105.035 75.8964 -121.8 -36.6062 -105.036 -36.6076 -216.439 GPRESSURE: 4728800 -154.495 83.7554 -124.292 45.916 -125.863 -42.6428 3.8965 -21.1321 -191.358 PRESSAVG: 4728800 -9.61159 -1.04692 -78.2131 -1.04693 -80.8581 2.45083 -78.2131 2.45078 96.3159 GPRESSAVG: 4728800 -9.88628 -1.47784 -79.0818 -0.476595 -80.6172 5.93437 -76.7388 2.08827 96.7209 TIMING: 4728800 CPU: 14220.8, 0.00300327/step Wall: 14220.8, 0.00300327/step, 0.226246 hours remaining, 208.761719 MB of memory in use. ENERGY: 4728800 766.1389 2107.1354 1943.8940 103.1200 -205900.0462 17629.2767 0.0000 0.0000 34352.2597 -148998.2215 300.0068 -183350.4813 -148904.9201 300.0863 -195.9522 -157.2385 558978.7358 1.9487 2.0725 PRESSURE: 4729000 25.7157 -21.5046 4.99659 -21.5055 77.7012 -96.1716 4.99663 -96.1723 106.282 GPRESSURE: 4729000 86.5746 -21.9251 -83.2561 -6.70376 78.5249 -70.1018 71.7373 -115.807 150.492 PRESSAVG: 4729000 -2.20673 48.8696 -13.4881 48.8696 19.807 -17.3202 -13.4881 -17.3204 -22.8152 GPRESSAVG: 4729000 -1.58896 50.3024 -12.4322 47.4683 18.4561 -18.5625 -13.9954 -17.0574 -21.6663 TIMING: 4729000 CPU: 14221.4, 0.00303416/step Wall: 14221.4, 0.00303416/step, 0.228405 hours remaining, 208.761719 MB of memory in use. ENERGY: 4729000 696.4776 2126.2384 1964.2413 116.4750 -205949.7540 17713.6238 0.0000 0.0000 34260.6068 -149072.0911 299.2064 -183332.6979 -148980.4266 299.6824 69.8995 105.1971 557155.7768 -1.7383 -1.5997 PRESSURE: 4729200 24.0504 26.9132 -87.9196 26.9123 -323.537 100.07 -87.9188 100.07 -251.551 GPRESSURE: 4729200 48.2618 21.0446 -100.612 -104.549 -306.325 63.0147 -76.5076 44.3231 -199.406 PRESSAVG: 4729200 38.0662 -2.97192 -18.4718 -2.97203 29.7301 20.5508 -18.4717 20.5509 -63.8763 GPRESSAVG: 4729200 37.7524 -4.53037 -18.4235 -3.31753 32.595 20.0032 -18.98 18.7805 -66.2353 TIMING: 4729200 CPU: 14222, 0.0030578/step Wall: 14222, 0.0030578/step, 0.230015 hours remaining, 208.761719 MB of memory in use. ENERGY: 4729200 757.1047 2111.0412 1948.1118 123.3173 -205591.3546 17419.1267 0.0000 0.0000 34246.1927 -148986.4602 299.0805 -183232.6529 -148890.8488 299.0694 -183.6794 -152.4899 558971.4839 1.3067 1.3707 PRESSURE: 4729400 -398.758 -153.237 -107.588 -153.237 -13.3551 54.1925 -107.587 54.191 -215.6 GPRESSURE: 4729400 -321.091 -190.745 -113.707 -159.774 -45.0127 125.442 -35.497 102.729 -171.909 PRESSAVG: 4729400 43.615 26.2982 -23.3666 26.2982 25.4427 -23.3327 -23.3666 -23.3328 -71.18 GPRESSAVG: 4729400 43.8363 25.3275 -20.7201 27.7833 23.2237 -22.9035 -23.2281 -20.5949 -69.0199 TIMING: 4729400 CPU: 14222.6, 0.00303369/step Wall: 14222.6, 0.00303369/step, 0.228033 hours remaining, 208.761719 MB of memory in use. ENERGY: 4729400 729.6208 2100.5054 1959.1125 128.9940 -205824.4034 17621.2125 0.0000 0.0000 34252.9161 -149032.0420 299.1392 -183284.9580 -148939.4013 300.1574 -209.2377 -179.3374 558978.4769 -0.7074 -0.6533 PRESSURE: 4729600 -39.3474 -269.793 13.1315 -269.794 50.6618 57.3567 13.1316 57.3575 -294.524 GPRESSURE: 4729600 -3.78417 -288.285 -4.1717 -255.423 64.8656 16.6131 -70.5302 20.8605 -243.503 PRESSAVG: 4729600 56.0426 -48.3611 -54.7293 -48.361 -17.6278 5.09241 -54.7293 5.09244 -31.3727 GPRESSAVG: 4729600 56.4369 -49.4162 -55.2384 -48.5058 -17.9753 4.0161 -54.2279 4.26629 -30.8428 TIMING: 4729600 CPU: 14223.3, 0.00302809/step Wall: 14223.3, 0.00302809/step, 0.227443 hours remaining, 208.761719 MB of memory in use. ENERGY: 4729600 750.1457 2145.4254 1945.6095 109.0538 -206405.2453 18042.2273 0.0000 0.0000 34305.4210 -149107.3625 299.5978 -183412.7835 -149013.1250 299.9828 -94.4033 -60.8071 559381.6807 2.3473 2.5396 PRESSURE: 4729800 -61.1701 -18.286 19.8755 -18.2862 163.401 -81.191 19.875 -81.1924 107.413 GPRESSURE: 4729800 -17.3285 -58.553 15.0138 -27.2698 230.01 -17.7 49.4865 -78.41 91.4317 PRESSAVG: 4729800 -21.7701 -30.5422 -20.6774 -30.5421 40.7962 -18.9802 -20.6774 -18.9803 16.2716 GPRESSAVG: 4729800 -21.0613 -29.8161 -20.7495 -30.2198 40.3486 -18.461 -21.7458 -20.5556 15.9109 TIMING: 4729800 CPU: 14223.9, 0.00305415/step Wall: 14223.9, 0.00305415/step, 0.229231 hours remaining, 208.761719 MB of memory in use. ENERGY: 4729800 759.9231 2123.3361 1961.9955 113.0133 -206283.0782 17998.1710 0.0000 0.0000 34350.1506 -148976.4885 299.9884 -183326.6390 -148876.1053 300.2039 69.8813 101.3712 557875.8907 11.7659 11.7327 PRESSURE: 4730000 -409.33 60.1956 30.2629 60.1964 7.01115 107.081 30.2624 107.08 183.408 GPRESSURE: 4730000 -383.876 147.065 -30.8811 31.0531 80.5867 75.7822 80.9694 103.809 183.081 PRESSAVG: 4730000 -27.4997 -24.7679 -22.8868 -24.7679 15.5093 -10.4087 -22.8868 -10.4087 3.38622 GPRESSAVG: 4730000 -27.8805 -24.702 -23.5225 -23.6013 16.1752 -10.3459 -22.4548 -10.9412 2.89541 TIMING: 4730000 CPU: 14224.5, 0.0030522/step Wall: 14224.5, 0.0030522/step, 0.228915 hours remaining, 208.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4730000 727.1927 2083.6792 1943.6172 114.3535 -205409.3461 17656.0768 0.0000 0.0000 34026.4188 -148858.0080 297.1612 -182884.4267 -148758.8699 300.1390 -72.9703 -40.0695 560301.1567 -2.8681 -2.9366 PRESSURE: 4730200 -110.221 96.0584 71.426 96.0579 59.8863 214.56 71.4275 214.559 -44.6128 GPRESSURE: 4730200 -124.226 176.888 137.11 141.203 150.971 117.443 27.2436 240.215 -29.3341 PRESSAVG: 4730200 -48.8595 29.5506 46.1414 29.5505 59.0371 -6.97422 46.1414 -6.97413 11.4273 GPRESSAVG: 4730200 -49.0929 32.3528 46.1328 27.151 60.1606 -9.4231 46.7107 -4.56245 10.6104 TIMING: 4730200 CPU: 14225.1, 0.00302986/step Wall: 14225.1, 0.00302986/step, 0.227071 hours remaining, 208.761719 MB of memory in use. ENERGY: 4730200 743.7531 2136.4671 1921.4395 115.9517 -206093.7739 17948.6101 0.0000 0.0000 34425.0911 -148802.4613 300.6429 -183227.5524 -148709.2261 300.1911 -31.6493 -0.8629 559266.9515 7.2016 7.2260 PRESSURE: 4730400 -140.849 -3.22685 51.2543 -3.22857 -12.2414 150.837 51.2551 150.837 -96.4779 GPRESSURE: 4730400 -157.14 -89.297 47.9449 33.2792 14.1661 61.7183 37.9206 71.99 -15.5947 PRESSAVG: 4730400 -13.0112 -15.6874 24.3114 -15.6873 -10.7959 18.6985 24.3114 18.6985 -5.4534 GPRESSAVG: 4730400 -13.8268 -17.2126 24.7945 -14.8599 -10.9339 21.3607 21.6624 16.5951 -4.70443 TIMING: 4730400 CPU: 14225.7, 0.00299966/step Wall: 14225.7, 0.00299966/step, 0.224641 hours remaining, 208.761719 MB of memory in use. ENERGY: 4730400 760.5451 2145.8145 1934.0611 116.8595 -206229.6795 17916.6873 0.0000 0.0000 34394.9677 -148960.7444 300.3798 -183355.7121 -148871.1585 300.3352 -83.1894 -52.8562 559416.7470 -9.7535 -9.8217 PRESSURE: 4730600 171.821 55.1215 -69.1095 55.1212 471.582 -80.8903 -69.1074 -80.8919 98.5075 GPRESSURE: 4730600 239.825 45.9692 -67.3489 -10.7862 447.173 -123.954 -57.1942 -70.2337 153.913 PRESSAVG: 4730600 -46.731 29.7107 3.70844 29.7107 5.48382 0.150249 3.70841 0.150211 18.7512 GPRESSAVG: 4730600 -46.4312 31.5877 3.33193 29.4104 5.76282 -1.25576 6.96448 0.460616 18.3534 TIMING: 4730600 CPU: 14226.3, 0.00300144/step Wall: 14226.3, 0.00300144/step, 0.224608 hours remaining, 208.761719 MB of memory in use. ENERGY: 4730600 739.9818 2081.0219 1955.5725 113.7659 -206665.8686 18299.3250 0.0000 0.0000 34420.8239 -149055.3776 300.6056 -183476.2015 -148960.7145 300.1077 247.3034 280.3035 556121.6597 -7.4986 -7.4383 PRESSURE: 4730800 5.56449 36.0574 1.1436 36.0582 283.99 67.491 1.14262 67.4928 -71.8222 GPRESSURE: 4730800 34.9633 115.463 89.3921 34.8195 320.842 180.884 -51.8879 -66.5391 -32.6867 PRESSAVG: 4730800 40.9458 0.837142 -12.2718 0.83706 23.1021 35.2699 -12.2718 35.2697 -64.8326 GPRESSAVG: 4730800 41.8914 -1.98744 -13.2639 -0.198463 22.028 36.2415 -12.1688 35.0688 -64.6056 TIMING: 4730800 CPU: 14226.9, 0.00300524/step Wall: 14226.9, 0.00300524/step, 0.224725 hours remaining, 208.761719 MB of memory in use. ENERGY: 4730800 771.6679 2037.4554 1961.6582 117.5713 -206137.5629 17883.1501 0.0000 0.0000 34236.1217 -149129.9383 298.9926 -183366.0600 -149037.3876 299.7975 72.5776 107.7061 555935.3836 -0.2615 -0.2287 PRESSURE: 4731000 293.468 -125.37 -132.526 -125.371 266.315 -165.138 -132.525 -165.137 -0.39363 GPRESSURE: 4731000 296.528 -126.846 -154.845 -57.7214 335.93 -240.971 -79.7109 -149.398 28.4388 PRESSAVG: 4731000 29.0967 -10.7242 -25.5619 -10.7242 38.6609 -12.9579 -25.5619 -12.9578 4.16431 GPRESSAVG: 4731000 27.746 -9.29129 -25.3815 -8.95104 39.5322 -12.5226 -25.002 -13.3072 4.24512 TIMING: 4731000 CPU: 14227.5, 0.00300704/step Wall: 14227.5, 0.00300704/step, 0.224692 hours remaining, 208.761719 MB of memory in use. ENERGY: 4731000 686.0006 2034.6820 1952.3418 117.8931 -205937.8984 17746.8853 0.0000 0.0000 34306.8675 -149093.2282 299.6104 -183400.0957 -148993.0923 299.7793 186.4630 220.2988 556348.6521 23.9740 23.8411 PRESSURE: 4731200 143.991 -67.2238 -106.989 -67.2227 57.7568 -27.3448 -106.99 -27.3448 9.06821 GPRESSURE: 4731200 120.115 -141.783 -43.5355 -71.4802 158.402 50.0591 -101.292 -132.496 19.7918 PRESSAVG: 4731200 37.1736 -24.6553 -41.6196 -24.6552 14.2693 3.47082 -41.6196 3.47083 -84.0538 GPRESSAVG: 4731200 38.9677 -25.6104 -40.1859 -26.3314 14.0055 2.42309 -43.9799 4.15875 -85.504 TIMING: 4731200 CPU: 14228.1, 0.00299506/step Wall: 14228.1, 0.00299506/step, 0.223631 hours remaining, 208.761719 MB of memory in use. ENERGY: 4731200 730.5439 2107.2267 1925.2943 129.0216 -206095.7308 17844.7899 0.0000 0.0000 34136.8196 -149222.0349 298.1253 -183358.8545 -149126.6128 299.9171 70.2721 99.4361 556803.2114 -10.8703 -10.8436 PRESSURE: 4731400 236.003 84.1755 -97.5359 84.1752 40.1742 115.03 -97.5362 115.031 -14.9664 GPRESSURE: 4731400 255.504 167.891 -149.64 -16.22 71.6647 124.45 -80.0896 6.09529 38.2684 PRESSAVG: 4731400 91.771 -30.0597 -46.3353 -30.0597 -14.9849 35.7024 -46.3354 35.7024 -53.9698 GPRESSAVG: 4731400 91.1176 -30.2725 -48.9885 -28.9213 -15.7398 36.3477 -43.8387 35.4315 -53.0057 TIMING: 4731400 CPU: 14228.7, 0.00303189/step Wall: 14228.7, 0.00303189/step, 0.226213 hours remaining, 208.761719 MB of memory in use. ENERGY: 4731400 724.1627 2081.5505 1939.5786 116.1563 -206404.0377 17950.0346 0.0000 0.0000 34272.2845 -149320.2705 299.3084 -183592.5551 -149227.0544 299.5777 87.0703 121.8123 555547.2618 7.6054 7.4574 PRESSURE: 4731600 -184.546 62.2906 -67.6984 62.2902 -315.309 158.334 -67.6989 158.333 -218.473 GPRESSURE: 4731600 -168.365 143.011 -32.1008 16.9912 -256.453 52.76 -42.4184 298.411 -194.516 PRESSAVG: 4731600 39.3034 34.0346 -68.7458 34.0348 -9.86087 41.1511 -68.7459 41.1512 -32.652 GPRESSAVG: 4731600 39.0449 35.2302 -67.1133 32.2904 -10.1615 39.6307 -69.8711 42.9103 -31.9698 TIMING: 4731600 CPU: 14229.3, 0.00302966/step Wall: 14229.3, 0.00302966/step, 0.225878 hours remaining, 208.761719 MB of memory in use. ENERGY: 4731600 749.1101 2123.8154 1938.4227 103.1459 -206206.0185 17664.3654 0.0000 0.0000 34339.4938 -149287.6652 299.8953 -183627.1589 -149188.2506 298.5537 -239.4428 -206.4445 558088.0178 -1.0698 -1.0288 PRESSURE: 4731800 -109.334 -38.7297 -84.4971 -38.7305 84.747 -129.933 -84.4975 -129.931 -145.557 GPRESSURE: 4731800 1.87503 -67.5349 -44.3323 -11.3499 81.0889 -161.397 -153.247 -71.7085 -159.421 PRESSAVG: 4731800 -23.6612 -24.9073 -17.8535 -24.9074 -1.60317 -40.622 -17.8535 -40.622 -10.7091 GPRESSAVG: 4731800 -22.9774 -26.1305 -18.1999 -23.6571 -1.69461 -38.6054 -15.2425 -40.9841 -11.6903 TIMING: 4731800 CPU: 14229.9, 0.00301617/step Wall: 14229.9, 0.00301617/step, 0.224704 hours remaining, 208.761719 MB of memory in use. ENERGY: 4731800 745.5806 2079.5907 1935.9647 118.1761 -206237.5430 17652.1749 0.0000 0.0000 34308.1723 -149397.8837 299.6218 -183706.0560 -149299.2948 298.5952 -56.7146 -25.4856 557366.4735 -11.9912 -12.1207 PRESSURE: 4732000 -23.3506 -109.82 66.839 -109.819 -196.945 -102.258 66.8395 -102.26 -244.046 GPRESSURE: 4732000 -48.7547 -135.818 16.5374 -151.71 -127.519 -103.942 62.8431 -124.195 -178.588 PRESSAVG: 4732000 -7.26418 -7.65944 -17.0156 -7.65951 -8.14631 -42.0549 -17.0155 -42.055 6.93656 GPRESSAVG: 4732000 -8.41977 -5.85061 -17.3379 -8.76119 -7.64202 -45.0431 -17.5419 -41.7863 7.47147 TIMING: 4732000 CPU: 14230.5, 0.0030361/step Wall: 14230.5, 0.0030361/step, 0.226021 hours remaining, 208.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4732000 754.3565 2089.2467 1931.2679 124.4849 -205943.0966 17505.8070 0.0000 0.0000 34181.6917 -149356.2419 298.5172 -183537.9336 -149256.5291 298.8241 -154.7807 -118.2874 557911.1044 -2.8246 -2.8634 PRESSURE: 4732200 -264.917 128.016 110.392 128.016 -65.4863 -21.3989 110.392 -21.3992 -270.717 GPRESSURE: 4732200 -253.956 140.253 169.802 94.2968 6.52524 -53.2063 99.4397 -35.2434 -251.25 PRESSAVG: 4732200 -11.0438 38.8888 37.4455 38.8888 -1.21299 22.1022 37.4456 22.1022 -32.0311 GPRESSAVG: 4732200 -10.2768 36.8915 34.9817 40.7178 -0.849898 23.8307 38.1438 19.2097 -33.5293 TIMING: 4732200 CPU: 14231.1, 0.00303231/step Wall: 14231.1, 0.00303231/step, 0.22557 hours remaining, 208.761719 MB of memory in use. ENERGY: 4732200 722.9420 2028.3471 1926.9662 113.9051 -205689.5659 17279.4723 0.0000 0.0000 34289.1778 -149328.7554 299.4559 -183617.9333 -149236.1134 298.3970 -200.3736 -166.2270 556850.4963 -14.7626 -14.8853 LDB: ============= START OF LOAD BALANCING ============== 14234.5 LDB: ============== END OF LOAD BALANCING =============== 14234.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14234.5 LDB: ============= START OF LOAD BALANCING ============== 14234.8 LDB: Largest compute 4820 load 0.026593 is 22.5% of average load 0.118221 LDB: Average compute 0.001735 is 1.5% of average load 0.118221 LDB: TIME 14234.9 LOAD: AVG 0.118221 MAX 0.217789 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.074 MB LDB: TIME 14234.9 LOAD: AVG 0.118221 MAX 0.217789 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.074 MB LDB: TIME 14234.9 LOAD: AVG 0.118221 MAX 0.217789 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.074 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14234.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14234.9 PRESSURE: 4732400 -194.354 56.3036 127.723 56.3038 -254.809 28.9456 127.724 28.9446 -297.918 GPRESSURE: 4732400 -240.184 17.4566 153.93 -33.3562 -166.139 4.51152 123.944 104.181 -233.78 PRESSAVG: 4732400 -40.659 24.2254 28.7833 24.2254 81.5226 9.93821 28.7834 9.93832 -56.0302 GPRESSAVG: 4732400 -41.4751 25.7259 31.7778 23.3699 81.7778 9.85195 26.8099 11.4667 -55.0957 TIMING: 4732400 CPU: 14231.7, 0.00310039/step Wall: 14231.7, 0.00310039/step, 0.230463 hours remaining, 208.742188 MB of memory in use. ENERGY: 4732400 767.1506 2089.4119 1934.6476 114.7653 -206083.9213 17637.4884 0.0000 0.0000 34091.5554 -149448.9021 297.7300 -183540.4575 -149354.0721 298.5749 -249.0270 -213.3674 558599.6520 -5.0555 -4.9310 PRESSURE: 4732600 141.024 -23.9875 -116.115 -23.9875 122.678 159.928 -116.116 159.928 -90.3968 GPRESSURE: 4732600 145.429 -72.2523 -116.41 -8.01428 140.189 125.25 -98.5414 176.47 -13.5206 PRESSAVG: 4732600 -26.7332 42.1309 -47.143 42.1309 27.9541 15.2587 -47.1431 15.2587 9.94384 GPRESSAVG: 4732600 -25.9602 42.7702 -47.6134 40.5718 27.5624 14.9957 -47.4161 15.0845 10.2011 TIMING: 4732600 CPU: 14232.3, 0.0030341/step Wall: 14232.3, 0.0030341/step, 0.225366 hours remaining, 208.742188 MB of memory in use. ENERGY: 4732600 715.6587 2086.5753 1939.1704 116.1395 -206334.3429 18021.7590 0.0000 0.0000 33977.8411 -149477.1990 296.7369 -183455.0401 -149383.2057 298.5293 57.7684 90.6992 556896.5933 3.7216 3.9344 PRESSURE: 4732800 -28.3882 -32.8533 6.53235 -32.8538 47.0451 -44.5771 6.53237 -44.5768 204.827 GPRESSURE: 4732800 -26.6021 15.3587 78.0008 -43.3208 106.747 -53.2827 -81.0252 -37.4005 244.024 PRESSAVG: 4732800 -20.7849 6.45019 -22.6181 6.45022 102.038 -3.86031 -22.6182 -3.86028 -29.4332 GPRESSAVG: 4732800 -21.781 7.05297 -24.3256 6.20754 102.635 -3.7268 -21.6207 -3.64247 -28.5423 TIMING: 4732800 CPU: 14232.9, 0.00306677/step Wall: 14232.9, 0.00306677/step, 0.227622 hours remaining, 208.742188 MB of memory in use. ENERGY: 4732800 760.8251 2091.6898 1950.5251 116.7482 -206643.6630 18026.8076 0.0000 0.0000 34221.9052 -149475.1620 298.8684 -183697.0673 -149375.0387 298.6593 74.4947 108.0561 556067.7512 17.2732 17.4371 PRESSURE: 4733000 308.867 55.3177 -103.795 55.3177 48.8675 26.265 -103.795 26.2642 -52.4953 GPRESSURE: 4733000 364.464 -12.3952 -158.515 113.457 66.622 72.2698 23.3568 -38.7334 -35.3932 PRESSAVG: 4733000 1.88365 7.08478 -24.4692 7.08486 -32.7289 65.8345 -24.4692 65.8345 -3.56787 GPRESSAVG: 4733000 3.28861 6.96679 -22.4394 8.31995 -32.6587 65.1593 -24.9717 64.6423 -5.33752 TIMING: 4733000 CPU: 14233.6, 0.00308404/step Wall: 14233.6, 0.00308404/step, 0.228733 hours remaining, 208.742188 MB of memory in use. ENERGY: 4733000 762.1241 2098.1442 1956.2036 109.2700 -206615.7587 18047.8373 0.0000 0.0000 34296.3829 -149345.7965 299.5188 -183642.1794 -149254.5053 298.9457 101.7463 131.8977 556550.2461 -11.4710 -11.5692 PRESSURE: 4733200 225.426 59.4072 66.8303 59.408 -72.7707 123.936 66.8301 123.937 -12.8566 GPRESSURE: 4733200 255.29 65.9601 65.1891 79.8628 -75.2256 105.658 89.3811 17.7519 62.2472 PRESSAVG: 4733200 59.7356 -44.987 -4.25246 -44.9871 62.7062 19.7425 -4.25246 19.7424 -66.375 GPRESSAVG: 4733200 58.8968 -43.2691 -4.13614 -46.5582 63.1212 19.855 -2.48075 20.6667 -65.4482 TIMING: 4733200 CPU: 14234.2, 0.00310017/step Wall: 14234.2, 0.00310017/step, 0.229757 hours remaining, 208.742188 MB of memory in use. ENERGY: 4733200 760.3892 2130.6164 1911.2129 119.6821 -206614.4783 18100.1168 0.0000 0.0000 34347.2574 -149245.2035 299.9631 -183592.4609 -149149.0436 299.0172 46.5994 80.7706 555853.4096 18.6889 18.8566 PRESSURE: 4733400 164.201 -6.66051 -47.9428 -6.66096 77.1324 -13.6981 -47.9436 -13.6989 -143.685 GPRESSURE: 4733400 171.236 -62.577 -17.7141 -56.9898 99.4296 -80.0393 -77.0917 3.43692 -72.7708 PRESSAVG: 4733400 11.3242 -17.032 18.3649 -17.032 1.60738 -2.87352 18.3649 -2.87352 31.407 GPRESSAVG: 4733400 11.925 -18.0382 17.5831 -15.6162 1.40129 -1.57838 17.3305 -1.86321 31.7561 TIMING: 4733400 CPU: 14234.8, 0.00305239/step Wall: 14234.8, 0.00305239/step, 0.226046 hours remaining, 208.742188 MB of memory in use. ENERGY: 4733400 717.8263 2122.9526 1937.2926 105.7027 -206052.0788 17815.6263 0.0000 0.0000 34168.8042 -149183.8740 298.4047 -183352.6782 -149081.5314 299.3237 32.5496 65.9650 558195.6008 14.7795 15.0275 PRESSURE: 4733600 -75.2307 87.69 -135.29 87.6887 185.981 -58.6033 -135.289 -58.604 196.279 GPRESSURE: 4733600 -29.6142 10.2988 -137.911 27.1503 221.368 -99.0162 -187.815 -96.0454 227.143 PRESSAVG: 4733600 -69.7192 -30.1791 -10.8738 -30.1791 49.4959 -2.98253 -10.8738 -2.98253 -4.06751 GPRESSAVG: 4733600 -70.8851 -31.2264 -8.70048 -31.1685 50.4074 -4.781 -11.4924 -3.55294 -3.19446 TIMING: 4733600 CPU: 14235.4, 0.00304889/step Wall: 14235.4, 0.00304889/step, 0.225618 hours remaining, 208.742188 MB of memory in use. ENERGY: 4733600 721.0474 2087.1587 1940.1081 117.7326 -206182.7776 17846.2392 0.0000 0.0000 34323.9236 -149146.5681 299.7594 -183470.4917 -149051.6164 298.6314 102.3430 139.6324 558577.5130 -8.0969 -7.8907 PRESSURE: 4733800 118.374 -89.8306 27.293 -89.8302 -167.531 9.54982 27.2939 9.54946 -257.097 GPRESSURE: 4733800 124.412 -99.2327 -42.1232 -87.9194 -127.447 -73.1732 44.3859 33.4134 -208.223 PRESSAVG: 4733800 -21.7115 -31.0579 -67.4107 -31.0579 12.7823 -22.4965 -67.4107 -22.4965 -5.74861 GPRESSAVG: 4733800 -20.9869 -28.8373 -67.7226 -31.8699 12.6142 -21.9301 -68.4065 -23.2692 -6.28949 TIMING: 4733800 CPU: 14236, 0.00302221/step Wall: 14236, 0.00302221/step, 0.223475 hours remaining, 208.742188 MB of memory in use. ENERGY: 4733800 746.6844 2134.7448 1923.0021 107.9548 -205799.5884 17594.6272 0.0000 0.0000 34387.4938 -148905.0814 300.3145 -183292.5752 -148814.6628 299.5174 -102.0848 -70.4192 559874.4730 -4.8926 -4.8874 PRESSURE: 4734000 17.6082 -96.9339 -60.054 -96.9335 -91.1958 21.0543 -60.0542 21.0542 -197.728 GPRESSURE: 4734000 85.4818 -52.2482 -31.9315 -81.7599 -35.6883 37.1954 -82.5831 18.2592 -213.394 PRESSAVG: 4734000 -13.6157 16.1445 -21.688 16.1445 30.5827 54.7368 -21.6878 54.7369 -49.3184 GPRESSAVG: 4734000 -13.2039 13.5845 -21.5276 17.2636 30.4538 55.7311 -20.8018 56.0457 -50.1674 TIMING: 4734000 CPU: 14236.6, 0.00303583/step Wall: 14236.6, 0.00303583/step, 0.224314 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: 4734000 733.6015 2104.9898 1936.4603 118.5427 -205677.8418 17598.5296 0.0000 0.0000 34259.5818 -148926.1361 299.1974 -183185.7178 -148829.9865 299.7675 -90.4384 -54.5335 558382.9098 -10.7838 -10.9725 PRESSURE: 4734200 238.757 167.226 78.9851 167.225 -79.2468 -0.660566 78.9854 -0.659955 20.4185 GPRESSURE: 4734200 235.788 209.47 61.2549 173.146 -24.9992 -12.9141 87.0342 -17.4228 72.9725 PRESSAVG: 4734200 40.8796 -5.99983 3.88519 -5.99991 28.1963 49.7374 3.88516 49.7374 -77.1621 GPRESSAVG: 4734200 40.1743 -5.62478 5.91376 -6.82305 27.5644 50.1234 1.72431 49.4785 -75.7638 TIMING: 4734200 CPU: 14237.2, 0.0030353/step Wall: 14237.2, 0.0030353/step, 0.224107 hours remaining, 208.742188 MB of memory in use. ENERGY: 4734200 758.0501 2155.0905 1967.4660 118.9749 -206233.6488 17774.8974 0.0000 0.0000 34469.1218 -148990.0481 301.0274 -183459.1699 -148891.6681 300.2325 59.9764 94.5872 556911.1779 -2.6954 -2.6750 PRESSURE: 4734400 8.72804 103.769 -75.655 103.77 -96.4214 -17.9235 -75.6553 -17.9235 -251.587 GPRESSURE: 4734400 26.9419 69.7865 -64.9147 106.503 -50.8288 45.8826 -98.6748 32.4396 -205.618 PRESSAVG: 4734400 44.2007 7.3967 -32.0286 7.3967 43.1827 52.0204 -32.0286 52.0205 -26.9091 GPRESSAVG: 4734400 45.8957 10.9797 -33.7778 7.36539 41.9157 53.5661 -32.2787 50.6446 -27.2406 TIMING: 4734400 CPU: 14237.8, 0.00305167/step Wall: 14237.8, 0.00305167/step, 0.225145 hours remaining, 208.742188 MB of memory in use. ENERGY: 4734400 748.1750 2100.8140 1947.1440 117.6651 -206021.9964 17637.1194 0.0000 0.0000 34552.9966 -148918.0823 301.7599 -183471.0789 -148820.4768 300.5841 -113.0933 -76.5018 556054.6443 20.1581 20.1903 PRESSURE: 4734600 104.638 88.2963 143.98 88.2962 29.6429 21.5181 143.98 21.5183 -57.0412 GPRESSURE: 4734600 190.355 98.4746 118.419 62.1551 -12.1474 94.7234 82.6594 20.1596 -7.60558 PRESSAVG: 4734600 -38.0525 6.54888 -35.7402 6.54888 37.5219 8.11184 -35.7402 8.11185 8.72505 GPRESSAVG: 4734600 -38.3838 5.03952 -35.9766 8.53487 37.8637 6.62311 -35.7088 10.0359 8.75064 TIMING: 4734600 CPU: 14238.4, 0.00300889/step Wall: 14238.4, 0.00300889/step, 0.221822 hours remaining, 208.742188 MB of memory in use. ENERGY: 4734600 698.0046 2122.6001 1940.7442 97.7067 -205956.1404 17737.9100 0.0000 0.0000 34395.7723 -148963.4024 300.3868 -183359.1748 -148860.1124 300.2642 25.7464 56.8675 556831.8122 2.7315 2.7435 PRESSURE: 4734800 -72.7014 82.837 115.217 82.8372 -232.776 -45.3851 115.217 -45.3853 -93.9267 GPRESSURE: 4734800 -19.1534 123.514 200.604 5.81697 -264.199 -33.6398 160.496 -28.6097 -13.1364 PRESSAVG: 4734800 -14.5219 41.9308 31.4027 41.9308 -11.7994 28.7195 31.4028 28.7195 4.56178 GPRESSAVG: 4734800 -14.8048 42.9738 32.2076 39.939 -11.0011 29.0345 32.8238 27.6067 4.08184 TIMING: 4734800 CPU: 14239, 0.0030001/step Wall: 14239, 0.0030001/step, 0.221007 hours remaining, 208.742188 MB of memory in use. ENERGY: 4734800 725.0596 2082.1022 1923.0247 110.5706 -205498.4726 17436.3595 0.0000 0.0000 34299.9936 -148921.3625 299.5504 -183221.3560 -148820.1631 300.2616 -133.1346 -98.8297 558786.3102 -7.2532 -7.2413 PRESSURE: 4735000 -10.3967 -15.2818 -10.7011 -15.2817 -552.774 43.7696 -10.7019 43.767 -115.549 GPRESSURE: 4735000 -2.6039 4.57859 -3.80765 -82.9501 -501.076 89.7501 46.0475 21.1209 -78.0978 PRESSAVG: 4735000 2.80199 -17.5805 45.9724 -17.5806 -52.7083 23.6449 45.9723 23.6449 57.467 GPRESSAVG: 4735000 2.37518 -17.904 42.6077 -17.8829 -52.701 21.1213 47.4313 24.1204 57.638 TIMING: 4735000 CPU: 14239.7, 0.00309309/step Wall: 14239.7, 0.00309309/step, 0.227686 hours remaining, 208.742188 MB of memory in use. ENERGY: 4735000 764.2698 2057.9364 1931.0944 123.1087 -205701.2016 17443.1751 0.0000 0.0000 34319.8658 -149061.7515 299.7239 -183381.6172 -148970.0658 300.0734 -226.2396 -193.9259 557642.7546 2.5202 2.4374 PRESSURE: 4735200 -245.015 12.1482 -72.2592 12.1488 -94.2157 -67.2096 -72.2587 -67.2089 -85.7452 GPRESSURE: 4735200 -261.082 13.6241 -4.95157 -73.4121 -95.7887 -35.7884 -111.207 -37.9106 35.5873 PRESSAVG: 4735200 -21.65 -7.28054 -9.59961 -7.2806 18.3882 -1.52051 -9.59947 -1.52043 17.6053 GPRESSAVG: 4735200 -22.4165 -8.90235 -8.37717 -6.67187 17.8715 -0.78955 -11.0771 -0.571211 19.0887 TIMING: 4735200 CPU: 14240.3, 0.00309012/step Wall: 14240.3, 0.00309012/step, 0.227295 hours remaining, 208.742188 MB of memory in use. ENERGY: 4735200 748.0481 2074.8061 1914.4559 113.5202 -206126.1451 17756.4508 0.0000 0.0000 34507.9084 -149010.9557 301.3661 -183518.8640 -148909.5516 299.7545 -141.6588 -107.0943 559001.3860 4.7812 4.8479 PRESSURE: 4735400 -54.8948 -24.4819 76.3952 -24.4827 85.4972 59.1984 76.3945 59.1989 -81.4161 GPRESSURE: 4735400 -26.6578 -9.59523 36.5576 23.8799 142.263 -27.8671 219.578 74.9873 -65.9841 PRESSAVG: 4735400 -71.442 23.8921 45.5905 23.8921 32.0416 -56.4404 45.5905 -56.4405 64.4966 GPRESSAVG: 4735400 -70.8405 25.1347 45.3455 26.3868 32.8587 -56.309 47.2076 -58.0577 62.7557 TIMING: 4735400 CPU: 14240.9, 0.00300455/step Wall: 14240.9, 0.00300455/step, 0.220835 hours remaining, 208.742188 MB of memory in use. ENERGY: 4735400 694.4009 2113.0205 1910.5526 122.0683 -205876.2590 17731.8306 0.0000 0.0000 34370.8454 -148933.5407 300.1691 -183304.3861 -148835.6314 300.2559 -16.9379 16.5405 558681.0130 8.3654 8.2580 PRESSURE: 4735600 -167.27 127.039 181.331 127.038 -21.1563 85.2954 181.331 85.2959 -144.109 GPRESSURE: 4735600 -123.2 28.921 149.195 150.834 0.114134 80.4529 126.428 147.214 -101.347 PRESSAVG: 4735600 47.5818 4.11976 12.771 4.11979 -22.3843 28.0477 12.771 28.0477 -24.739 GPRESSAVG: 4735600 47.2536 3.37117 12.8682 2.48393 -24.0539 29.0149 9.9056 27.36 -23.624 TIMING: 4735600 CPU: 14241.5, 0.00300539/step Wall: 14241.5, 0.00300539/step, 0.220729 hours remaining, 208.742188 MB of memory in use. ENERGY: 4735600 724.1646 2090.3120 1926.1033 120.0833 -205875.0352 17635.2112 0.0000 0.0000 34408.1502 -148971.0105 300.4949 -183379.1607 -148871.6188 300.5106 -110.8454 -74.8107 557637.0484 0.1528 -0.1414 PRESSURE: 4735800 -418.947 -9.60581 -96.7534 -9.60449 -122.652 -53.2146 -96.754 -53.2154 -169.478 GPRESSURE: 4735800 -400.313 47.26 -132.934 13.2654 -64.2654 -76.1425 8.97816 -63.8135 -130.996 PRESSAVG: 4735800 -8.46381 17.8342 31.3509 17.8341 51.8323 -5.36572 31.351 -5.3657 -12.4429 GPRESSAVG: 4735800 -8.22145 19.3715 31.3395 18.2527 53.9048 -7.40338 33.1393 -2.20535 -14.1446 TIMING: 4735800 CPU: 14242.1, 0.00303099/step Wall: 14242.1, 0.00303099/step, 0.222441 hours remaining, 208.742188 MB of memory in use. ENERGY: 4735800 736.9130 2076.3785 1919.9587 112.2685 -205875.7842 17495.4306 0.0000 0.0000 34348.5850 -149186.2499 299.9747 -183534.8349 -149085.6186 299.9574 -237.0259 -198.5251 558083.4920 10.3085 10.5129 PRESSURE: 4736000 85.8714 75.1351 -67.0839 75.1367 161.506 -97.3766 -67.0835 -97.3753 -96.0753 GPRESSURE: 4736000 139.182 -5.54098 -76.6418 122.707 130.734 -66.7937 -14.6408 -77.8033 -11.013 PRESSAVG: 4736000 -15.8451 3.4835 -27.5224 3.48341 10.0874 32.3855 -27.5223 32.3856 32.3829 GPRESSAVG: 4736000 -15.4513 1.843 -27.2435 3.76497 9.12701 33.8313 -27.4393 32.5203 32.4839 TIMING: 4736000 CPU: 14242.7, 0.00300937/step Wall: 14242.7, 0.00300937/step, 0.220687 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: 4736000 753.5508 2115.3298 1957.9190 113.8368 -206151.0703 17676.8481 0.0000 0.0000 34218.3252 -149315.2607 298.8371 -183533.5859 -149225.5483 298.9221 50.4340 86.3010 556783.2643 8.8750 8.7199 PRESSURE: 4736200 104.773 155.844 87.8527 155.844 329.151 167.859 87.8523 167.859 213.655 GPRESSURE: 4736200 141.189 220.094 97.2429 118.018 337.372 128.033 77.392 185.339 267.276 PRESSAVG: 4736200 -16.8838 4.53643 -24.2975 4.53648 -20.9343 3.76412 -24.2976 3.76406 20.0824 GPRESSAVG: 4736200 -17.0299 5.19829 -25.9726 3.01549 -21.6873 4.05141 -25.0895 1.1023 20.6678 TIMING: 4736200 CPU: 14243.3, 0.00303899/step Wall: 14243.3, 0.00303899/step, 0.22269 hours remaining, 208.742188 MB of memory in use. ENERGY: 4736200 755.7230 2107.7135 1914.7236 129.0439 -206270.2098 17863.4982 0.0000 0.0000 34179.2577 -149320.2499 298.4960 -183499.5076 -149223.2343 298.8379 215.8594 248.6125 554214.0404 -5.9119 -6.0165 LDB: ============= START OF LOAD BALANCING ============== 14246.7 LDB: ============== END OF LOAD BALANCING =============== 14246.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14246.7 LDB: ============= START OF LOAD BALANCING ============== 14247 LDB: Largest compute 4820 load 0.028153 is 23.8% of average load 0.118107 LDB: Average compute 0.001732 is 1.5% of average load 0.118107 LDB: TIME 14247 LOAD: AVG 0.118107 MAX 0.215541 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.973 MB LDB: TIME 14247 LOAD: AVG 0.118107 MAX 0.215541 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.973 MB LDB: TIME 14247 LOAD: AVG 0.118107 MAX 0.215541 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.973 MB LDB: ============== END OF LOAD BALANCING =============== 14247 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14247 PRESSURE: 4736400 145.908 37.8425 138.1 37.844 0.628485 49.5032 138.1 49.5024 160.908 GPRESSURE: 4736400 194.368 90.2921 148.413 10.9953 88.5894 85.0836 121.781 31.4492 126.596 PRESSAVG: 4736400 -31.5937 9.38252 12.3619 9.38244 56.3364 -10.7474 12.3619 -10.7474 17.1572 GPRESSAVG: 4736400 -32.1049 7.87331 11.9252 11.6651 56.9312 -10.1971 13.6865 -12.6133 17.3537 TIMING: 4736400 CPU: 14243.9, 0.0030786/step Wall: 14243.9, 0.0030786/step, 0.225422 hours remaining, 207.847656 MB of memory in use. ENERGY: 4736400 766.0661 2068.0502 1961.0064 111.8063 -206158.0213 17808.7417 0.0000 0.0000 34136.6222 -149305.7284 298.1236 -183442.3506 -149212.4185 299.2343 102.4815 136.5180 555756.8009 13.9666 14.0600 PRESSURE: 4736600 -44.7592 75.4626 -54.7831 75.4623 185.226 162.82 -54.7819 162.82 -168.14 GPRESSURE: 4736600 8.37001 100.829 64.1719 107.838 209.294 117.246 -192.306 131.503 -154.332 PRESSAVG: 4736600 -9.47827 31.5452 10.4143 31.545 -2.64381 -2.75069 10.4143 -2.75069 15.8804 GPRESSAVG: 4736600 -9.23842 31.9101 13.7211 30.199 -2.00884 -2.96984 6.51044 1.32109 14.1972 TIMING: 4736600 CPU: 14244.5, 0.00300472/step Wall: 14244.5, 0.00300472/step, 0.219846 hours remaining, 207.847656 MB of memory in use. ENERGY: 4736600 737.7694 2119.2281 1941.0131 114.3807 -206290.1802 17795.5878 0.0000 0.0000 34155.8393 -149426.3618 298.2914 -183582.2012 -149334.5927 298.3843 -9.2243 21.1105 557627.4399 1.2528 0.9833 PRESSURE: 4736800 -246.751 86.3127 313.417 86.313 -422.185 -32.2524 313.418 -32.2552 -296.464 GPRESSURE: 4736800 -286.164 106.721 277.752 -51.5618 -377.98 -48.6629 248.097 51.1711 -206.587 PRESSAVG: 4736800 -24.1034 38.4075 33.3935 38.4074 -30.9096 41.5841 33.3935 41.5841 58.4162 GPRESSAVG: 4736800 -24.4308 40.1326 31.4212 38.8817 -30.3897 40.8661 37.4658 39.5031 57.8883 TIMING: 4736800 CPU: 14245.1, 0.00301818/step Wall: 14245.1, 0.00301818/step, 0.220663 hours remaining, 207.847656 MB of memory in use. ENERGY: 4736800 780.4182 2138.9250 1952.2598 118.9159 -206352.1274 17629.4543 0.0000 0.0000 34266.3862 -149465.7681 299.2569 -183732.1544 -149373.3014 298.7345 -321.8001 -290.2436 559320.4900 1.1344 1.0226 PRESSURE: 4737000 -175.115 -33.9321 -104.443 -33.9302 -179.436 20.1695 -104.442 20.1695 51.8099 GPRESSURE: 4737000 -141.475 23.4412 -111.8 -118.138 -118.427 -65.5919 -45.4222 81.9652 57.5351 PRESSAVG: 4737000 -47.3901 -1.40132 -24.8509 -1.40136 108.716 -3.63137 -24.8509 -3.63153 -40.2182 GPRESSAVG: 4737000 -48.3951 -0.424344 -23.4512 -1.25147 108.159 -2.11618 -26.1065 -4.02362 -39.0344 TIMING: 4737000 CPU: 14245.7, 0.00302267/step Wall: 14245.7, 0.00302267/step, 0.220823 hours remaining, 207.847656 MB of memory in use. ENERGY: 4737000 770.4326 2100.0578 1935.9709 108.9386 -206659.2439 17831.9270 0.0000 0.0000 34351.6782 -149560.2389 300.0017 -183911.9171 -149465.4119 298.9693 -100.9135 -67.4556 557094.8018 7.0360 6.9097 PRESSURE: 4737200 -23.1361 -152.476 -68.9038 -152.477 -119.407 153.262 -68.9042 153.26 2.03562 GPRESSURE: 4737200 -23.6363 -142.575 -19.2409 -126.463 -34.2556 142.327 -85.6521 161.802 9.10966 PRESSAVG: 4737200 -20.0113 -15.341 -22.2124 -15.341 -24.7388 57.2991 -22.2125 57.2991 19.0704 GPRESSAVG: 4737200 -20.7279 -15.6725 -24.7024 -15.9411 -23.8123 55.5827 -22.2689 58.1387 18.3093 TIMING: 4737200 CPU: 14246.3, 0.00301683/step Wall: 14246.3, 0.00301683/step, 0.220228 hours remaining, 207.847656 MB of memory in use. ENERGY: 4737200 770.4770 2187.3522 1925.1991 118.0814 -206496.4913 17865.4793 0.0000 0.0000 34163.1802 -149466.7221 298.3555 -183629.9023 -149373.8142 298.8110 -46.8360 -16.2607 557327.0048 -8.5599 -8.7436 PRESSURE: 4737400 -86.1153 8.39836 -199.038 8.39978 -7.83142 -30.5768 -199.038 -30.5772 128.94 GPRESSURE: 4737400 -54.4876 -32.2365 -214.908 24.8847 15.037 -38.5571 -237.904 -4.29737 168.195 PRESSAVG: 4737400 4.34675 7.64008 -20.7915 7.64014 -22.4435 13.563 -20.7916 13.563 10.7193 GPRESSAVG: 4737400 4.8983 7.85375 -19.644 6.98648 -22.5694 12.2745 -20.6031 15.872 10.562 TIMING: 4737400 CPU: 14246.9, 0.0030134/step Wall: 14246.9, 0.0030134/step, 0.219811 hours remaining, 207.847656 MB of memory in use. ENERGY: 4737400 719.6770 2096.5517 1956.2907 118.8446 -206161.6639 17653.8894 0.0000 0.0000 34213.3065 -149403.1039 298.7933 -183616.4104 -149308.0805 299.2242 11.6646 42.9147 556607.0544 -2.4592 -2.3697 PRESSURE: 4737600 -48.4517 1.8271 57.9907 1.82662 -96.2342 -33.1544 57.9921 -33.1551 -66.7012 GPRESSURE: 4737600 33.5229 -73.8374 42.0897 -38.9379 -98.9874 4.53367 94.1133 -97.0327 -46.8133 PRESSAVG: 4737600 15.7257 24.9467 54.478 24.9467 -15.7317 -8.44669 54.478 -8.44676 -15.682 GPRESSAVG: 4737600 16.0097 22.6106 54.9187 25.464 -16.7081 -6.30944 53.6374 -11.7837 -14.8581 TIMING: 4737600 CPU: 14247.5, 0.00301284/step Wall: 14247.5, 0.00301284/step, 0.219602 hours remaining, 207.847656 MB of memory in use. ENERGY: 4737600 754.0624 2094.7415 1945.8590 109.8812 -206441.3264 17799.9673 0.0000 0.0000 34386.8023 -149350.0126 300.3085 -183736.8149 -149258.0268 299.2214 -70.4624 -37.4259 557950.7865 -5.2293 -5.1855 PRESSURE: 4737800 197.587 35.1435 -54.2829 35.143 259.356 0.606687 -54.2832 0.606749 22.7773 GPRESSURE: 4737800 245.299 90.6901 -1.59423 -9.3913 330.749 8.61828 -77.9687 -24.8779 5.68049 PRESSAVG: 4737800 62.8173 -80.25 -30.3337 -80.25 -7.55329 5.8937 -30.3336 5.8937 -12.1297 GPRESSAVG: 4737800 62.6415 -80.291 -27.9676 -78.7957 -7.17645 4.6723 -32.0366 6.15189 -11.8772 TIMING: 4737800 CPU: 14248.1, 0.0030373/step Wall: 14248.1, 0.0030373/step, 0.221216 hours remaining, 207.847656 MB of memory in use. ENERGY: 4737800 744.8819 2090.2334 1980.2109 118.8934 -206289.6131 18002.6668 0.0000 0.0000 34059.2055 -149293.5212 297.4475 -183352.7267 -149207.3107 298.7879 159.9067 193.9096 557597.5754 14.3781 14.5293 PRESSURE: 4738000 -46.2763 -228.406 44.8396 -228.406 42.3333 145.799 44.8383 145.799 286.87 GPRESSURE: 4738000 -10.5781 -266.326 -33.1318 -207.47 25.2704 146.902 73.5702 169.517 368.207 PRESSAVG: 4738000 -22.484 -46.8736 -31.4087 -46.8737 -14.1879 36.56 -31.4087 36.56 7.20257 GPRESSAVG: 4738000 -22.4131 -46.1066 -33.9202 -48.3571 -15.6428 38.3986 -28.476 34.6531 8.60654 TIMING: 4738000 CPU: 14248.7, 0.00303849/step Wall: 14248.7, 0.00303849/step, 0.221135 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: 4738000 722.6744 2065.5756 1965.5459 121.2647 -206405.7928 17951.8616 0.0000 0.0000 34330.1828 -149248.6879 299.8140 -183578.8706 -149153.5094 298.8478 94.3089 127.6330 555792.3072 -9.8231 -9.8164 PRESSURE: 4738200 142.393 -89.8327 -98.3729 -89.8311 45.2955 96.7837 -98.3719 96.7838 -89.6477 GPRESSURE: 4738200 153.613 -29.0109 -49.4322 -205.862 121.663 131.833 -82.8424 158.693 -79.3863 PRESSAVG: 4738200 20.013 -108.547 -22.5763 -108.547 -19.1172 42.6496 -22.5763 42.6494 4.8293 GPRESSAVG: 4738200 18.3117 -106.919 -22.9603 -107.223 -16.4891 42.6646 -22.2581 46.0986 4.08077 TIMING: 4738200 CPU: 14249.3, 0.00303674/step Wall: 14249.3, 0.00303674/step, 0.220838 hours remaining, 207.847656 MB of memory in use. ENERGY: 4738200 775.1996 2074.9384 1943.5364 112.7361 -206122.9360 17879.8426 0.0000 0.0000 34061.0056 -149275.6773 297.4632 -183336.6829 -149178.4451 298.5592 32.6803 65.2965 556995.9744 1.9084 1.9678 PRESSURE: 4738400 -195.649 -48.9132 7.29083 -48.9146 79.0277 120.089 7.2925 120.089 60.5129 GPRESSURE: 4738400 -96.3631 -16.9904 9.39706 -135.938 70.2063 71.411 47.0198 74.5796 59.7583 PRESSAVG: 4738400 -11.2918 -40.1355 -25.2508 -40.1355 13.1553 7.17942 -25.2507 7.17948 38.0178 GPRESSAVG: 4738400 -9.93885 -39.6 -25.3146 -42.7989 12.2545 4.61547 -27.7498 6.63701 38.1589 TIMING: 4738400 CPU: 14250, 0.00303169/step Wall: 14250, 0.00303169/step, 0.220303 hours remaining, 207.847656 MB of memory in use. ENERGY: 4738400 742.4565 2107.3906 1931.7855 112.2739 -206079.1454 17843.3813 0.0000 0.0000 33989.4843 -149352.3732 296.8386 -183341.8575 -149254.6642 299.1914 -18.7028 11.2005 557502.7488 13.2937 13.4915 PRESSURE: 4738600 33.7923 17.9058 98.3557 17.9065 -38.2729 73.4507 98.3551 73.4504 103.921 GPRESSURE: 4738600 15.6783 15.0993 147.914 -46.1106 13.9001 200.98 98.6672 -52.8881 158.347 PRESSAVG: 4738600 -55.2709 -17.6296 8.32288 -17.6294 -4.41387 -9.22798 8.32285 -9.22798 60.574 GPRESSAVG: 4738600 -55.0193 -17.4899 7.86989 -18.07 -5.72912 -8.5717 9.11494 -8.26627 61.8098 TIMING: 4738600 CPU: 14250.6, 0.00302258/step Wall: 14250.6, 0.00302258/step, 0.219473 hours remaining, 207.847656 MB of memory in use. ENERGY: 4738600 723.1875 2081.6370 1942.2980 109.5416 -206296.6210 17863.2211 0.0000 0.0000 34232.1366 -149344.5992 298.9578 -183576.7358 -149250.5229 299.1330 33.1469 62.6417 557670.7425 0.2964 0.3538 PRESSURE: 4738800 114.473 63.1028 -220.597 63.1037 348.325 -0.723303 -220.598 -0.724145 116.039 GPRESSURE: 4738800 73.0991 26.7207 -261.068 104.909 462.409 5.41646 -230.964 37.8294 139.704 PRESSAVG: 4738800 22.7346 -2.91891 -52.2705 -2.91897 37.1067 4.8599 -52.2705 4.85985 -72.8371 GPRESSAVG: 4738800 22.9324 -4.63847 -52.0467 -1.57476 38.1347 4.60175 -51.6231 4.13851 -73.7059 TIMING: 4738800 CPU: 14251.2, 0.00304102/step Wall: 14251.2, 0.00304102/step, 0.220643 hours remaining, 207.847656 MB of memory in use. ENERGY: 4738800 752.0423 2075.4555 1928.5872 105.5969 -206604.8527 18305.5134 0.0000 0.0000 34072.5178 -149365.1396 297.5638 -183437.6574 -149279.7526 298.4508 192.9453 225.0709 557908.9201 -4.3319 -4.2129 PRESSURE: 4739000 86.1489 -13.0256 -37.7612 -13.0252 -52.4659 -15.7216 -37.7618 -15.7219 69.8552 GPRESSURE: 4739000 146.286 -24.2768 -46.8348 -33.1669 -57.8679 2.96431 -102.457 -37.2091 118.112 PRESSAVG: 4739000 31.4921 -43.154 -18.4203 -43.154 -39.4505 -4.94552 -18.4203 -4.94562 46.774 GPRESSAVG: 4739000 31.8929 -43.1497 -18.6251 -43.3088 -39.3781 -1.97187 -18.5145 -5.14568 46.2585 TIMING: 4739000 CPU: 14251.8, 0.00302024/step Wall: 14251.8, 0.00302024/step, 0.218967 hours remaining, 207.847656 MB of memory in use. ENERGY: 4739000 726.3694 2085.2139 1948.9636 116.2448 -206504.0067 17856.5205 0.0000 0.0000 34274.8693 -149495.8252 299.3310 -183770.6945 -149400.7725 298.7680 34.5127 68.8434 557291.4753 12.9385 12.9244 PRESSURE: 4739200 -70.6646 111.139 135.002 111.139 -198.06 49.8771 135.002 49.8773 -43.3762 GPRESSURE: 4739200 -86.429 45.0268 96.7824 131.63 -198.531 52.2073 204.271 59.4475 63.5715 PRESSAVG: 4739200 17.7472 -38.1661 5.34463 -38.1661 -18.4547 40.8345 5.34471 40.8346 17.256 GPRESSAVG: 4739200 16.3448 -37.5945 3.17154 -35.6315 -19.1578 40.0687 8.23341 40.4532 18.5477 TIMING: 4739200 CPU: 14252.4, 0.00305255/step Wall: 14252.4, 0.00305255/step, 0.22114 hours remaining, 207.847656 MB of memory in use. ENERGY: 4739200 749.6396 2080.1855 1954.1503 121.0933 -206286.9217 17767.5948 0.0000 0.0000 34102.6220 -149511.6362 297.8267 -183614.2582 -149416.7037 299.0881 -104.0337 -73.7961 557228.3914 5.5161 5.2449 PRESSURE: 4739400 46.5382 33.1257 122.225 33.1258 -55.8884 180.409 122.223 180.409 146.657 GPRESSURE: 4739400 82.5619 75.2858 93.2438 44.47 4.13437 140.259 190.127 152.258 150.252 PRESSAVG: 4739400 -34.643 -44.3479 22.4565 -44.3479 -20.2713 63.0314 22.4565 63.0316 52.9594 GPRESSAVG: 4739400 -34.8119 -43.3869 24.1059 -46.9489 -20.1755 60.8882 20.649 63.6845 53.0913 TIMING: 4739400 CPU: 14253, 0.00302059/step Wall: 14253, 0.00302059/step, 0.218657 hours remaining, 207.847656 MB of memory in use. ENERGY: 4739400 716.3616 2076.7938 1951.2275 112.9442 -206282.4838 17880.5293 0.0000 0.0000 34065.9911 -149478.6362 297.5068 -183544.6273 -149384.9379 298.3334 45.7689 78.9827 557407.9602 -0.6516 -0.6320 PRESSURE: 4739600 -177.696 77.8357 76.2834 77.8361 -14.7318 193.666 76.284 193.667 -339.076 GPRESSURE: 4739600 -208.962 111.445 66.5297 36.8861 42.5405 230.101 102.033 168.065 -264.559 PRESSAVG: 4739600 -28.4975 -10.5611 -13.2241 -10.5611 12.5214 -23.9597 -13.2241 -23.9598 27.8167 GPRESSAVG: 4739600 -27.1558 -10.3332 -12.0433 -9.74774 12.996 -22.3339 -14.7249 -23.4942 26.3752 TIMING: 4739600 CPU: 14253.6, 0.00305912/step Wall: 14253.6, 0.00305912/step, 0.221277 hours remaining, 207.847656 MB of memory in use. ENERGY: 4739600 740.5783 2081.9142 1971.2639 121.3827 -206443.2643 17772.9253 0.0000 0.0000 34156.0627 -149599.1375 298.2934 -183755.2001 -149510.4578 298.4643 -177.1677 -143.6602 557676.8014 3.9468 4.0718 PRESSURE: 4739800 -58.9216 14.9655 -0.680579 14.9659 -11.3364 -49.1114 -0.680947 -49.1118 168.56 GPRESSURE: 4739800 -80.199 -68.2906 40.1922 -14.2113 59.2636 -93.9232 -26.2211 -53.9214 205.771 PRESSAVG: 4739800 4.74868 -53.792 -17.1215 -53.7919 10.2871 -33.5742 -17.1215 -33.5741 17.198 GPRESSAVG: 4739800 4.47952 -51.9581 -18.7769 -54.2558 10.7086 -35.0355 -16.0066 -33.8978 17.3429 TIMING: 4739800 CPU: 14254.3, 0.00348566/step Wall: 14254.3, 0.00348566/step, 0.251936 hours remaining, 207.847656 MB of memory in use. ENERGY: 4739800 798.7994 2106.5158 1945.2849 123.8363 -206597.1263 18010.4127 0.0000 0.0000 34248.6944 -149363.5828 299.1024 -183612.2771 -149262.5701 298.2571 32.7673 61.6117 556727.0136 10.7446 10.8437 PRESSURE: 4740000 -36.3213 21.321 55.074 21.3206 -24.8321 57.8498 55.0734 57.8501 -201.8 GPRESSURE: 4740000 -7.24017 4.78211 92.9662 -13.732 -3.88043 60.9651 26.7404 28.4356 -148.539 PRESSAVG: 4740000 63.3818 11.7259 23.6179 11.7259 10.7559 6.38018 23.618 6.38018 1.03433 GPRESSAVG: 4740000 62.753 10.1444 24.0502 12.0489 11.9215 7.67939 22.7796 4.98332 0.65941 TIMING: 4740000 CPU: 14254.9, 0.00309601/step Wall: 14254.9, 0.00309601/step, 0.223601 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: 4740000 751.8870 2057.8025 1942.3854 115.2299 -206349.6464 17729.2654 0.0000 0.0000 34227.1424 -149525.9337 298.9141 -183753.0761 -149421.6081 298.6162 -87.6511 -53.2197 555663.6045 25.0573 25.1113 PRESSURE: 4740200 15.4728 18.1223 -45.7556 18.1227 0.075478 -76.2729 -45.7539 -76.2728 -157.441 GPRESSURE: 4740200 87.5046 95.3081 -23.8534 -16.7941 3.6014 -24.3279 -18.2807 -42.7067 -136.032 PRESSAVG: 4740200 54.3113 36.5691 -14.6917 36.5691 41.6266 -17.361 -14.6918 -17.361 -36.3009 GPRESSAVG: 4740200 55.0308 34.9011 -14.2653 37.1124 40.315 -15.6189 -14.2285 -17.6179 -35.9471 TIMING: 4740200 CPU: 14255.5, 0.00300929/step Wall: 14255.5, 0.00300929/step, 0.217171 hours remaining, 207.847656 MB of memory in use. ENERGY: 4740200 763.2569 2060.7137 1927.8290 104.5680 -206179.9087 17702.8067 0.0000 0.0000 34102.2128 -149518.5217 297.8231 -183620.7344 -149423.0205 298.4708 -47.2976 -14.9753 555444.9325 19.8790 19.7996 LDB: ============= START OF LOAD BALANCING ============== 14258.9 LDB: ============== END OF LOAD BALANCING =============== 14258.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14258.9 LDB: ============= START OF LOAD BALANCING ============== 14259.3 LDB: Largest compute 4820 load 0.028708 is 24.3% of average load 0.118157 LDB: Average compute 0.001726 is 1.5% of average load 0.118157 LDB: TIME 14259.3 LOAD: AVG 0.118157 MAX 0.217791 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.078 MB LDB: TIME 14259.3 LOAD: AVG 0.118157 MAX 0.217791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.078 MB LDB: TIME 14259.3 LOAD: AVG 0.118157 MAX 0.217791 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.078 MB LDB: ============== END OF LOAD BALANCING =============== 14259.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14259.3 PRESSURE: 4740400 -112.821 -93.923 -25.0311 -93.9233 190.939 -72.6305 -25.0312 -72.6299 124.116 GPRESSURE: 4740400 -57.1135 -27.9241 27.3264 -103.729 224.733 -55.0457 -72.9802 -18.614 145.315 PRESSAVG: 4740400 -0.852739 0.448182 0.568495 0.448179 28.7559 -25.433 0.568504 -25.433 -2.54768 GPRESSAVG: 4740400 -0.330907 2.15918 0.410685 0.350762 28.8209 -27.3265 2.3984 -24.605 -2.88868 TIMING: 4740400 CPU: 14256.1, 0.00308395/step Wall: 14256.1, 0.00308395/step, 0.222387 hours remaining, 207.339844 MB of memory in use. ENERGY: 4740400 746.0360 2125.9804 1909.2441 118.7215 -206564.4645 17943.1670 0.0000 0.0000 34258.1135 -149463.2019 299.1846 -183721.3154 -149363.4550 298.6999 67.4114 104.3116 555834.2809 8.4518 8.5338 PRESSURE: 4740600 -228.649 66.3807 -132.352 66.3822 141.364 -92.4624 -132.353 -92.4612 10.1896 GPRESSURE: 4740600 -147.382 43.4726 -104.851 23.7791 119.597 -46.3042 -140.106 -217.361 48.9492 PRESSAVG: 4740600 14.0018 57.5655 20.5238 57.5655 20.9797 -27.1748 20.5238 -27.1747 -42.7847 GPRESSAVG: 4740600 13.6684 57.0164 21.8566 55.6805 20.1702 -27.0902 19.1932 -27.0473 -41.8411 TIMING: 4740600 CPU: 14256.7, 0.00303959/step Wall: 14256.7, 0.00303959/step, 0.21902 hours remaining, 207.339844 MB of memory in use. ENERGY: 4740600 766.8164 2105.7937 1924.7421 125.8632 -206121.7920 17645.2835 0.0000 0.0000 34158.3930 -149394.9001 298.3137 -183553.2931 -149303.3851 298.7778 -25.6985 7.0545 557371.9890 -2.6011 -2.6675 PRESSURE: 4740800 -32.7427 60.4193 59.4337 60.4184 -216.882 75.0507 59.4348 75.0507 74.4131 GPRESSURE: 4740800 -1.94956 11.2254 -45.043 136.816 -156.32 40.3063 88.9821 42.3021 87.7874 PRESSAVG: 4740800 -113.292 5.63883 -20.7218 5.63873 25.1142 -8.98057 -20.7219 -8.9805 40.6133 GPRESSAVG: 4740800 -114.518 5.19368 -22.2609 7.26432 26.8442 -9.24051 -20.2148 -8.75004 40.5356 TIMING: 4740800 CPU: 14257.3, 0.00304577/step Wall: 14257.3, 0.00304577/step, 0.219295 hours remaining, 207.339844 MB of memory in use. ENERGY: 4740800 770.4313 2070.0935 1952.0196 115.7118 -206119.4478 17651.2524 0.0000 0.0000 34221.3300 -149338.6092 298.8634 -183559.9391 -149253.4502 298.1472 -58.4038 -23.4940 557131.4007 -15.8549 -15.7127 PRESSURE: 4741000 -41.357 63.244 -27.3422 63.2441 -55.1879 -111.014 -27.3416 -111.013 -127.223 GPRESSURE: 4741000 3.97639 119.845 -25.2325 -23.285 -80.8354 -94.411 19.0816 -105.918 -65.8581 PRESSAVG: 4741000 -54.5834 42.5294 -14.3634 42.5294 -15.7702 -21.2901 -14.3634 -21.29 -37.1066 GPRESSAVG: 4741000 -52.6072 43.3087 -13.0295 42.3107 -17.0418 -21.6798 -13.9035 -20.6699 -37.9758 TIMING: 4741000 CPU: 14258, 0.00304308/step Wall: 14258, 0.00304308/step, 0.218933 hours remaining, 207.339844 MB of memory in use. ENERGY: 4741000 742.2341 2096.0484 1976.4869 117.8660 -206003.4656 17543.7476 0.0000 0.0000 34119.2264 -149407.8562 297.9717 -183527.0826 -149309.5264 298.5016 -74.5892 -47.5724 557755.8986 -35.8201 -35.8750 PRESSURE: 4741200 -100.813 96.947 38.5512 96.9471 87.7937 -109.155 38.5514 -109.156 82.0682 GPRESSURE: 4741200 -3.58964 155.015 20.004 -48.4344 82.0924 -8.33207 80.706 -190.428 83.8517 PRESSAVG: 4741200 4.57214 21.136 18.1503 21.1359 29.8791 -2.19353 18.1503 -2.19361 -36.7385 GPRESSAVG: 4741200 2.8718 20.6102 17.3267 21.3473 30.3277 0.1466 19.0786 -3.34087 -36.1058 TIMING: 4741200 CPU: 14258.6, 0.00304994/step Wall: 14258.6, 0.00304994/step, 0.219257 hours remaining, 207.339844 MB of memory in use. ENERGY: 4741200 734.3017 2182.8962 1921.8500 117.7870 -206382.4917 17953.3485 0.0000 0.0000 34171.1328 -149301.1754 298.4250 -183472.3082 -149202.0765 298.7154 23.0163 54.1181 558034.4145 -0.7624 -0.9688 PRESSURE: 4741400 -238.026 -39.4523 -123.829 -39.4515 -122.98 50.56 -123.83 50.5593 7.7516 GPRESSURE: 4741400 -192.932 -14.8225 -157.933 -55.2525 -95.9992 22.8957 -136.769 70.9859 32.3624 PRESSAVG: 4741400 -83.8497 -1.60792 -25.1825 -1.608 40.6202 -2.44902 -25.1825 -2.44899 50.857 GPRESSAVG: 4741400 -83.281 -1.47729 -26.2746 -1.35693 40.1144 -4.25445 -25.2193 -3.40957 50.6075 TIMING: 4741400 CPU: 14259.2, 0.00300802/step Wall: 14259.2, 0.00300802/step, 0.216076 hours remaining, 207.339844 MB of memory in use. ENERGY: 4741400 726.5222 2126.9440 1923.8193 117.8715 -206158.3853 17662.0981 0.0000 0.0000 34191.9859 -149409.1442 298.6071 -183601.1302 -149304.4286 298.5237 -117.7513 -85.5230 557467.4929 2.5425 2.4803 PRESSURE: 4741600 -321.877 36.7538 -57.5349 36.7525 -242.725 38.3726 -57.5338 38.3734 -43.3344 GPRESSURE: 4741600 -296.276 81.4989 57.3333 19.717 -228.709 28.6168 -84.7406 -40.9491 7.25647 PRESSAVG: 4741600 -13.964 17.075 -38.6741 17.075 15.9933 18.1818 -38.674 18.1817 -39.5555 GPRESSAVG: 4741600 -14.1144 14.9113 -36.739 17.9318 16.0721 17.3616 -39.8204 19.557 -39.3421 TIMING: 4741600 CPU: 14259.8, 0.00303841/step Wall: 14259.8, 0.00303841/step, 0.21809 hours remaining, 207.339844 MB of memory in use. ENERGY: 4741600 732.7621 2155.1512 1946.2276 114.9933 -206040.7104 17519.8965 0.0000 0.0000 34146.1771 -149425.5026 298.2071 -183571.6797 -149328.4337 298.4233 -202.6456 -172.5763 556871.0277 -12.5087 -12.4615 PRESSURE: 4741800 27.0088 59.9497 55.6977 59.95 -108.779 -171.779 55.6985 -171.779 -145.251 GPRESSURE: 4741800 -9.82431 108.875 54.7932 0.772716 -26.4055 -126.674 98.469 -223.519 -94.6227 PRESSAVG: 4741800 24.6417 35.2127 5.73741 35.2126 18.5056 16.3724 5.73734 16.3725 -37.3761 GPRESSAVG: 4741800 25.1722 37.8804 4.76897 34.44 17.4425 15.8476 5.72611 17.0452 -37.3682 TIMING: 4741800 CPU: 14260.4, 0.00304153/step Wall: 14260.4, 0.00304153/step, 0.218145 hours remaining, 207.339844 MB of memory in use. ENERGY: 4741800 719.5644 2131.0771 1984.5796 119.9321 -206188.7270 17743.3953 0.0000 0.0000 34122.9316 -149367.2469 298.0040 -183490.1785 -149276.5718 298.2577 -75.6739 -43.6175 557783.5715 1.9238 1.7489 PRESSURE: 4742000 -69.3686 11.0775 -83.8948 11.0762 -265.287 -113.519 -83.8938 -113.519 -332.197 GPRESSURE: 4742000 -52.4331 -58.8998 -45.223 38.9532 -219.885 -81.9203 -130.568 -159.184 -297.103 PRESSAVG: 4742000 20.0069 63.5739 39.43 63.5738 -27.2286 4.7555 39.43 4.75551 -43.6125 GPRESSAVG: 4742000 19.2208 63.8719 39.5513 63.6193 -25.6016 5.32974 37.6686 4.09106 -44.7414 TIMING: 4742000 CPU: 14261, 0.00303487/step Wall: 14261, 0.00303487/step, 0.217499 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: 4742000 776.0758 2097.3347 1960.8002 117.6998 -205924.3626 17469.3892 0.0000 0.0000 34118.1473 -149384.9156 297.9623 -183503.0629 -149286.1333 298.6759 -222.2844 -189.8072 557328.2970 -16.9448 -17.0407 PRESSURE: 4742200 -154.219 10.9093 -27.9853 10.9084 -225.194 -54.9292 -27.9844 -54.9291 -79.8905 GPRESSURE: 4742200 -115.897 -30.53 -106.672 -33.9011 -198.383 -40.966 67.1631 -78.7686 -54.8547 PRESSAVG: 4742200 19.8802 41.0555 -13.0287 41.0556 -71.2944 26.0725 -13.0287 26.0725 8.29739 GPRESSAVG: 4742200 20.6203 39.3867 -13.4605 40.5541 -72.8415 25.3315 -10.4276 26.3619 9.29563 TIMING: 4742200 CPU: 14261.6, 0.0030406/step Wall: 14261.6, 0.0030406/step, 0.217741 hours remaining, 207.339844 MB of memory in use. ENERGY: 4742200 722.5440 2134.2721 1941.1395 103.1073 -206040.4750 17586.4009 0.0000 0.0000 34150.6165 -149402.3946 298.2458 -183553.0112 -149311.9999 298.9140 -153.1011 -123.0449 557069.7500 -14.3723 -14.3085 PRESSURE: 4742400 -40.2477 37.6765 37.2702 37.6768 -38.4821 168.303 37.2695 168.301 182.5 GPRESSURE: 4742400 0.607456 70.0123 4.16374 -12.3184 -26.6668 236.186 -26.0312 160.046 221.262 PRESSAVG: 4742400 -11.2666 -20.7286 -53.6028 -20.7286 69.5276 35.8682 -53.6028 35.8682 -62.751 GPRESSAVG: 4742400 -12.3287 -20.5022 -51.8762 -19.8994 70.1475 37.0992 -54.2467 35.1576 -62.5316 TIMING: 4742400 CPU: 14262.2, 0.00303246/step Wall: 14262.2, 0.00303246/step, 0.216989 hours remaining, 207.339844 MB of memory in use. ENERGY: 4742400 746.6773 2052.4849 1920.2329 110.7193 -206258.1695 17906.2598 0.0000 0.0000 34187.8266 -149333.9688 298.5708 -183521.7954 -149238.1508 298.7764 34.5900 65.0676 558177.5430 -1.4967 -1.5709 PRESSURE: 4742600 -309.117 -81.934 86.3645 -81.9339 89.6101 -45.2879 86.3637 -45.2882 -127.157 GPRESSURE: 4742600 -231.956 -104.706 22.7193 -87.1441 107.579 -55.7454 137.302 -59.7498 -103.54 PRESSAVG: 4742600 -3.48258 -38.9483 -22.5508 -38.9483 35.7637 75.3548 -22.5509 75.3549 -12.4409 GPRESSAVG: 4742600 -2.88865 -38.1373 -24.5595 -39.9224 35.779 75.548 -21.9472 76.348 -13.2068 TIMING: 4742600 CPU: 14262.8, 0.00306668/step Wall: 14262.8, 0.00306668/step, 0.219267 hours remaining, 207.339844 MB of memory in use. ENERGY: 4742600 741.5976 2133.0451 1921.7978 114.4800 -206035.5748 17544.4224 0.0000 0.0000 34178.9553 -149401.2766 298.4933 -183580.2319 -149301.7503 298.9962 -115.5545 -75.9724 556331.4348 6.6134 6.5612 PRESSURE: 4742800 -371.194 -80.6945 5.86304 -80.6944 -46.4809 -135.366 5.8627 -135.364 -166.906 GPRESSURE: 4742800 -322.34 -42.3196 54.4657 -9.55645 24.9851 -175.984 -5.71979 -110.526 -185.08 PRESSAVG: 4742800 -19.616 18.2239 -16.8543 18.2238 50.38 -7.23961 -16.8543 -7.23966 -33.4268 GPRESSAVG: 4742800 -19.7322 18.2695 -17.3127 19.5475 50.2665 -8.16588 -13.5308 -7.63992 -33.0037 TIMING: 4742800 CPU: 14263.5, 0.00349209/step Wall: 14263.5, 0.00349209/step, 0.249491 hours remaining, 207.339844 MB of memory in use. ENERGY: 4742800 741.3927 2111.1758 1925.5174 116.1403 -206293.2540 17635.5448 0.0000 0.0000 34275.2107 -149488.2723 299.3339 -183763.4830 -149381.1296 298.4744 -194.8602 -160.8117 557383.9769 -0.8876 -0.8231 PRESSURE: 4743000 178.289 -120.897 95.2217 -120.897 271.715 -34.9979 95.2221 -34.9967 17.763 GPRESSURE: 4743000 191.181 -186.827 63.3158 -140.485 309.345 42.5229 151.514 -45.7885 75.0882 PRESSAVG: 4743000 -10.5298 22.8798 -11.926 22.8798 68.7892 -15.7916 -11.9259 -15.7916 -70.5807 GPRESSAVG: 4743000 -11.5114 22.0693 -8.06005 20.0641 69.9996 -13.4183 -15.7707 -15.3997 -71.0728 TIMING: 4743000 CPU: 14264.1, 0.00305604/step Wall: 14264.1, 0.00305604/step, 0.218167 hours remaining, 207.339844 MB of memory in use. ENERGY: 4743000 747.0694 2120.0575 1939.7769 107.2454 -206769.2930 18167.4518 0.0000 0.0000 34190.1872 -149497.5049 298.5914 -183687.6920 -149406.4369 298.9613 155.9223 191.8713 555677.4726 -4.1071 -4.1949 PRESSURE: 4743200 -101.827 141.509 -122.654 141.508 92.3219 -101.988 -122.654 -101.99 1.94337 GPRESSURE: 4743200 -76.4766 74.5883 -177.105 168.694 101.119 -16.5572 -63.5704 -126 68.0966 PRESSAVG: 4743200 -9.97952 65.4439 -29.668 65.4438 1.20329 14.1737 -29.6681 14.1737 5.62764 GPRESSAVG: 4743200 -8.73677 64.7764 -30.3295 66.556 1.12558 11.6094 -28.8776 14.6251 5.8108 TIMING: 4743200 CPU: 14264.7, 0.00304714/step Wall: 14264.7, 0.00304714/step, 0.217363 hours remaining, 207.339844 MB of memory in use. ENERGY: 4743200 703.2988 2096.8696 1944.2910 100.4514 -206210.5648 17836.6287 0.0000 0.0000 34061.0628 -149467.9624 297.4637 -183529.0252 -149380.1416 299.1805 -2.5207 30.9130 557186.1130 -1.0495 -0.6001 PRESSURE: 4743400 -219.161 -79.2023 227.286 -79.2027 140.281 -132.065 227.286 -132.064 -235.931 GPRESSURE: 4743400 -140.534 -70.2858 235.803 -94.7758 145.3 -228.818 216.527 -82.6525 -242.12 PRESSAVG: 4743400 -35.9524 57.9816 47.0809 57.9815 46.767 -19.3698 47.0808 -19.3698 -31.1636 GPRESSAVG: 4743400 -36.4844 58.0796 45.826 58.1847 47.6044 -19.2735 47.9165 -19.8903 -31.5939 TIMING: 4743400 CPU: 14265.3, 0.00302302/step Wall: 14265.3, 0.00302302/step, 0.215474 hours remaining, 207.339844 MB of memory in use. ENERGY: 4743400 722.1434 2093.6560 1943.9713 110.0511 -206056.5405 17643.1572 0.0000 0.0000 34073.3825 -149470.1791 297.5713 -183543.5616 -149369.4993 298.3368 -104.9370 -79.1180 557689.1381 -6.7830 -6.8246 PRESSURE: 4743600 -227.727 -9.59873 57.3812 -9.59945 20.3297 47.0582 57.3813 47.0589 -25.2641 GPRESSURE: 4743600 -165.259 41.688 113.78 -77.7984 21.8248 65.2369 89.5174 18.0094 13.1977 PRESSAVG: 4743600 -57.8843 21.6257 -19.5789 21.6258 53.8877 -15.0511 -19.5789 -15.051 -7.69745 GPRESSAVG: 4743600 -57.4811 21.5601 -17.8313 22.3818 51.8744 -15.0388 -20.0939 -16.6342 -6.7811 TIMING: 4743600 CPU: 14266, 0.0030456/step Wall: 14266, 0.0030456/step, 0.216915 hours remaining, 207.339844 MB of memory in use. ENERGY: 4743600 736.8343 2108.0897 1936.6656 102.1356 -206161.0432 17693.5189 0.0000 0.0000 34132.3984 -149451.4007 298.0867 -183583.7991 -149357.9305 297.9578 -77.5539 -43.4121 557711.2960 -3.8980 -4.1292 PRESSURE: 4743800 -164.904 82.5164 -86.6954 82.5164 -155.065 -119.176 -86.6956 -119.177 29.6097 GPRESSURE: 4743800 -73.4756 45.7582 -21.9213 127.171 -77.5826 -79.9431 -6.99408 -201.868 -37.7008 PRESSAVG: 4743800 -13.8687 -11.004 10.3654 -11.004 1.32013 -28.565 10.3654 -28.5649 32.9422 GPRESSAVG: 4743800 -13.6095 -10.8778 10.9382 -11.6924 2.26656 -27.41 9.05896 -26.9622 32.1987 TIMING: 4743800 CPU: 14266.6, 0.00300339/step Wall: 14266.6, 0.00300339/step, 0.213742 hours remaining, 207.339844 MB of memory in use. ENERGY: 4743800 726.8072 2085.2487 1947.2359 119.3435 -206023.0348 17679.3981 0.0000 0.0000 34195.7412 -149269.2601 298.6399 -183465.0013 -149167.8328 298.8725 -96.7865 -62.9197 557240.2600 6.7979 6.9519 PRESSURE: 4744000 210.803 14.8101 35.4087 14.8105 253.919 -116.268 35.4081 -116.268 199.708 GPRESSURE: 4744000 231.372 47.3922 24.8847 -25.7402 278.155 -70.1219 -20.3241 -181.895 257.691 PRESSAVG: 4744000 4.41593 -2.8966 -27.1596 -2.89649 43.0413 -11.5464 -27.1595 -11.5464 -83.1842 GPRESSAVG: 4744000 3.36387 -3.05312 -29.3272 -3.55285 43.0274 -11.1131 -24.6577 -12.8835 -82.4673 TIMING: 4744000 CPU: 14267.2, 0.00300535/step Wall: 14267.2, 0.00300535/step, 0.213714 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: 4744000 745.4068 2061.3047 1969.3111 111.5877 -206478.1592 18154.4374 0.0000 0.0000 34290.6131 -149145.4983 299.4685 -183436.1114 -149052.0854 299.9035 221.4768 255.7393 557279.4252 -11.9090 -12.0253 PRESSURE: 4744200 13.5379 64.3692 183.27 64.3683 -45.8767 217.896 183.27 217.897 -68.0643 GPRESSURE: 4744200 44.9006 95.2138 186.624 111.008 -27.7718 117.096 117.915 287.018 -17.9545 PRESSAVG: 4744200 49.8501 30.8189 19.1166 30.819 1.26961 -44.4716 19.1167 -44.4717 -35.4667 GPRESSAVG: 4744200 50.9718 31.1281 20.2251 31.5765 0.864386 -45.6621 16.4584 -42.6361 -35.985 TIMING: 4744200 CPU: 14267.8, 0.00300094/step Wall: 14267.8, 0.00300094/step, 0.213233 hours remaining, 207.339844 MB of memory in use. ENERGY: 4744200 750.0351 2124.2403 1951.5129 111.8977 -206319.1956 17971.6633 0.0000 0.0000 34186.1677 -149223.6786 298.5563 -183409.8463 -149127.1772 299.4713 -33.4677 -0.2752 558327.6312 5.2177 5.2837 LDB: ============= START OF LOAD BALANCING ============== 14271.2 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14271.2 LDB: =============== DONE WITH MIGRATION ================ 14271.2 LDB: ============= START OF LOAD BALANCING ============== 14271.5 LDB: Largest compute 4820 load 0.026693 is 22.6% of average load 0.118143 LDB: Average compute 0.001722 is 1.5% of average load 0.118143 LDB: TIME 14271.5 LOAD: AVG 0.118143 MAX 0.213296 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.395 MB LDB: TIME 14271.5 LOAD: AVG 0.118143 MAX 0.213296 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.637 MB LDB: TIME 14271.5 LOAD: AVG 0.118143 MAX 0.213296 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.637 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14271.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14271.5 PRESSURE: 4744400 -43.2992 -112.112 -64.7681 -112.113 -115.434 38.4707 -64.7687 38.4723 -16.8825 GPRESSURE: 4744400 -46.1963 -90.6776 -85.5221 -50.2045 -28.5697 -13.8073 -87.0022 48.7493 -1.61657 PRESSAVG: 4744400 18.7849 15.662 3.00015 15.6621 9.25828 -8.99677 3.00009 -8.99672 -41.5768 GPRESSAVG: 4744400 17.7563 18.5639 0.776718 13.1274 10.6241 -8.16826 6.78107 -11.6514 -41.4305 TIMING: 4744400 CPU: 14268.4, 0.00310175/step Wall: 14268.4, 0.00310175/step, 0.220224 hours remaining, 207.980469 MB of memory in use. ENERGY: 4744400 724.0782 2088.2058 1914.1958 111.9800 -205930.5705 17792.2265 0.0000 0.0000 34076.8302 -149223.0540 297.6014 -183299.8842 -149122.4615 299.6610 -58.5386 -25.4609 560004.2165 -4.5112 -4.3500 PRESSURE: 4744600 -153.74 -53.3102 -44.0144 -53.3111 -21.3564 205.326 -44.0154 205.328 124.148 GPRESSURE: 4744600 -174.237 -105.888 -33.3686 -84.3967 43.4569 210.513 -71.3967 201.497 188.284 PRESSAVG: 4744600 -69.1408 21.4723 6.48219 21.4723 22.8729 58.2454 6.48223 58.2454 66.8876 GPRESSAVG: 4744600 -69.2041 18.4614 7.5666 23.3709 22.1977 56.586 4.57328 61.2347 68.1267 TIMING: 4744600 CPU: 14269, 0.00300899/step Wall: 14269, 0.00300899/step, 0.213471 hours remaining, 207.980469 MB of memory in use. ENERGY: 4744600 745.7471 2103.0446 1976.1002 111.1008 -206320.1211 17915.7768 0.0000 0.0000 34294.3521 -149173.9995 299.5011 -183468.3516 -149077.0039 298.1300 -16.9828 19.1677 559499.4212 6.8732 7.0401 PRESSURE: 4744800 -76.1508 60.0812 -153.659 60.079 129.519 -37.89 -153.659 -37.8913 221.122 GPRESSURE: 4744800 -54.5334 90.3927 -196.664 -3.6521 140.452 54.7832 -99.0974 -25.8764 298.036 PRESSAVG: 4744800 -16.3654 5.37742 -30.2436 5.37748 10.4166 -27.583 -30.2436 -27.583 -19.7399 GPRESSAVG: 4744800 -15.8472 6.01213 -31.0558 5.53651 9.73959 -25.9543 -28.2582 -29.6445 -19.8025 TIMING: 4744800 CPU: 14269.6, 0.00303258/step Wall: 14269.6, 0.00303258/step, 0.214976 hours remaining, 207.980469 MB of memory in use. ENERGY: 4744800 704.8730 2079.4008 1967.2377 117.3617 -206319.4976 17881.3943 0.0000 0.0000 34250.6707 -149318.5593 299.1196 -183569.2300 -149220.1512 298.8615 91.4968 127.9847 556747.5056 -8.5629 -8.6367 PRESSURE: 4745000 -142.933 -198.258 -47.4771 -198.257 288.748 29.3671 -47.4787 29.367 89.876 GPRESSURE: 4745000 -132.259 -173.235 -138.491 -154.095 298.23 4.68144 -39.4557 37.1932 161.623 PRESSAVG: 4745000 -19.7168 -75.691 -36.8712 -75.6909 7.49993 48.1751 -36.8713 48.1751 56.5208 GPRESSAVG: 4745000 -19.9656 -75.0854 -36.3227 -75.6109 8.00823 48.3501 -38.7869 49.2637 56.0437 TIMING: 4745000 CPU: 14270.2, 0.00303062/step Wall: 14270.2, 0.00303062/step, 0.214669 hours remaining, 207.980469 MB of memory in use. ENERGY: 4745000 722.7969 2098.4831 1938.7613 105.4234 -206498.0339 18078.8661 0.0000 0.0000 34183.3652 -149370.3378 298.5318 -183553.7031 -149273.1217 298.3441 78.5638 109.1981 556985.0776 14.7680 14.6954 PRESSURE: 4745200 -261.498 89.1462 57.0664 89.1445 -31.1088 169.481 57.0667 169.483 -93.4667 GPRESSURE: 4745200 -206.122 60.0214 6.99133 95.7133 -36.2411 209.293 70.0478 190.87 -56.2504 PRESSAVG: 4745200 -114.762 15.4285 -38.7162 15.4284 73.2756 22.8637 -38.7162 22.8637 38.8679 GPRESSAVG: 4745200 -115.512 14.2233 -39.2259 14.9971 73.7405 22.3394 -38.7587 23.0739 39.0855 TIMING: 4745200 CPU: 14270.8, 0.00304591/step Wall: 14270.8, 0.00304591/step, 0.215583 hours remaining, 207.980469 MB of memory in use. ENERGY: 4745200 724.8271 2085.5588 1932.3039 109.4218 -206009.7550 17603.7370 0.0000 0.0000 34165.8975 -149388.0089 298.3793 -183553.9064 -149294.1252 298.8145 -128.6913 -99.5380 558299.6243 -0.8727 -0.8953 PRESSURE: 4745400 -178.308 81.2919 -18.1194 81.2906 251.193 14.7704 -18.119 14.771 67.915 GPRESSURE: 4745400 -144.545 27.6729 -48.5283 11.6283 257.514 -61.659 -4.22032 108.03 129.835 PRESSAVG: 4745400 -94.0079 26.0019 -27.1513 26.0019 86.382 65.7504 -27.1514 65.7504 29.3077 GPRESSAVG: 4745400 -93.7245 24.7754 -26.2455 26.5186 86.6701 65.8483 -26.6218 63.6138 28.833 TIMING: 4745400 CPU: 14271.4, 0.00304798/step Wall: 14271.4, 0.00304798/step, 0.21556 hours remaining, 207.980469 MB of memory in use. ENERGY: 4745400 724.2659 2098.4967 1926.8184 96.1487 -206286.7596 17939.4556 0.0000 0.0000 34136.3466 -149365.2277 298.1212 -183501.5743 -149272.5314 298.1226 46.9332 80.9345 558256.4418 7.2272 7.2595 PRESSURE: 4745600 -57.4579 16.3869 123.183 16.387 -175.86 99.4901 123.183 99.4903 72.7155 GPRESSURE: 4745600 -24.8882 -36.7372 129.571 -0.766411 -123.946 -9.84309 28.4573 165.141 79.0032 PRESSAVG: 4745600 -80.1602 24.9943 9.56422 24.9943 -0.16831 64.0763 9.56419 64.0763 93.6825 GPRESSAVG: 4745600 -79.88 25.2189 9.07156 22.6764 0.124499 62.2128 10.3252 66.8401 93.3356 TIMING: 4745600 CPU: 14272, 0.00303667/step Wall: 14272, 0.00303667/step, 0.214591 hours remaining, 207.980469 MB of memory in use. ENERGY: 4745600 751.1585 2112.8970 1952.2075 101.2150 -206151.7502 17688.6650 0.0000 0.0000 34303.9251 -149241.6820 299.5847 -183545.6072 -149143.6721 298.7492 -53.5342 -23.2770 558399.4087 4.4513 4.5267 PRESSURE: 4745800 132.301 -49.5836 118.648 -49.5848 81.6533 -96.1438 118.648 -96.1453 -77.0038 GPRESSURE: 4745800 200.021 1.31807 178.371 -110.811 29.8629 -102.995 73.0164 -155.907 10.6281 PRESSAVG: 4745800 -2.53398 -15.2278 11.1731 -15.2278 35.6581 6.84039 11.1732 6.84052 19.0704 GPRESSAVG: 4745800 -1.15083 -14.9406 12.8772 -12.8201 33.7046 10.5792 8.69298 4.29106 19.7052 TIMING: 4745800 CPU: 14272.7, 0.00321269/step Wall: 14272.7, 0.00321269/step, 0.226852 hours remaining, 207.980469 MB of memory in use. ENERGY: 4745800 716.7889 2085.7733 1953.7711 115.0166 -206279.5267 17789.7278 0.0000 0.0000 34255.5379 -149362.9112 299.1621 -183618.4490 -149250.2078 299.1237 45.6501 80.1706 556011.9439 17.3982 17.4197 PRESSURE: 4746000 -65.5849 115.965 -34.4086 115.964 -14.288 91.1898 -34.4083 91.1898 -265.329 GPRESSURE: 4746000 -38.6232 106.836 53.8742 51.0861 -1.21769 36.1089 -68.4397 54.6474 -203.379 PRESSAVG: 4746000 -5.87841 -9.55507 22.1097 -9.55517 3.54356 -50.9773 22.1096 -50.9773 -21.3566 GPRESSAVG: 4746000 -7.16983 -9.77959 22.1307 -9.95747 4.87987 -53.4863 22.9176 -48.0626 -21.8722 TIMING: 4746000 CPU: 14273.3, 0.00336372/step Wall: 14273.3, 0.00336372/step, 0.237329 hours remaining, 207.980469 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: 4746000 714.1165 2091.0354 1944.2337 113.0519 -206261.4282 17726.4947 0.0000 0.0000 34288.3718 -149384.1242 299.4489 -183672.4960 -149284.7566 298.6509 -115.0672 -81.0735 558871.7849 -7.8972 -8.0541 PRESSURE: 4746200 -215.302 -71.3311 138.055 -71.3322 -191.774 -58.2087 138.053 -58.2096 -87.5578 GPRESSURE: 4746200 -190.121 -49.992 158.427 -70.2126 -170.014 -30.8134 130.763 -90.6413 -30.6418 PRESSAVG: 4746200 19.4836 -24.844 41.6766 -24.844 -18.4667 -45.5809 41.6765 -45.5808 36.0679 GPRESSAVG: 4746200 18.6628 -23.7377 41.681 -25.7621 -18.2485 -44.0355 41.2644 -47.2888 36.9762 TIMING: 4746200 CPU: 14273.9, 0.00302893/step Wall: 14273.9, 0.00302893/step, 0.21354 hours remaining, 207.980469 MB of memory in use. ENERGY: 4746200 732.7490 2111.2455 1940.7544 108.0045 -205884.3972 17492.7163 0.0000 0.0000 34153.0735 -149345.8540 298.2673 -183498.9275 -149247.6363 298.3560 -164.8781 -130.2590 558255.8124 12.3616 12.4635 PRESSURE: 4746400 -185.444 122.504 -29.5182 122.504 -47.4893 75.5662 -29.5192 75.5663 31.3296 GPRESSURE: 4746400 -120.993 12.4642 14.6377 183.175 8.96148 122.761 -113.295 11.6654 13.8766 PRESSAVG: 4746400 -33.3178 49.2199 -17.1399 49.2199 -34.9482 -26.2654 -17.1398 -26.2655 46.3325 GPRESSAVG: 4746400 -32.4429 50.2338 -16.6053 48.6964 -35.3508 -26.3981 -17.2813 -25.3651 46.7423 TIMING: 4746400 CPU: 14274.5, 0.00304648/step Wall: 14274.5, 0.00304649/step, 0.214608 hours remaining, 207.980469 MB of memory in use. ENERGY: 4746400 731.7599 2109.5628 1915.7283 101.4952 -206070.4385 17721.7137 0.0000 0.0000 34012.8842 -149477.2943 297.0430 -183490.1786 -149373.8247 297.6998 -67.2012 -32.7184 557328.9296 -7.3112 -7.0171 PRESSURE: 4746600 30.1867 61.0555 -45.1613 61.0548 -221.017 205.258 -45.1608 205.257 -440.599 GPRESSURE: 4746600 34.0821 47.365 -44.1273 32.6364 -215.614 163.815 -91.2465 123.638 -352.553 PRESSAVG: 4746600 -2.24605 38.0661 14.667 38.0661 -77.3599 57.6192 14.6669 57.6192 31.8187 GPRESSAVG: 4746600 -2.08678 37.4111 13.2574 39.2292 -77.5836 58.917 15.9624 55.8534 31.3003 TIMING: 4746600 CPU: 14275.1, 0.00300928/step Wall: 14275.1, 0.00300928/step, 0.21182 hours remaining, 207.980469 MB of memory in use. ENERGY: 4746600 726.5294 2045.9627 1931.1993 106.2603 -206065.9867 17704.4017 0.0000 0.0000 34084.0762 -149467.5571 297.6647 -183551.6332 -149376.1033 298.5340 -210.4763 -178.0282 558192.7179 -15.9291 -16.1234 PRESSURE: 4746800 -191.358 -45.0197 43.7285 -45.0216 122.877 -7.83781 43.7272 -7.83846 170.059 GPRESSURE: 4746800 -137.64 -114.781 86.8718 98.7165 203.862 41.2108 15.1084 -75.5199 122.281 PRESSAVG: 4746800 -23.7461 30.0262 -7.19635 30.0263 -8.3866 50.0678 -7.1963 50.0676 2.51314 GPRESSAVG: 4746800 -24.8817 28.8574 -6.80087 31.3183 -7.36698 49.2622 -7.77858 51.7357 2.1436 TIMING: 4746800 CPU: 14275.8, 0.00302678/step Wall: 14275.8, 0.00302678/step, 0.212883 hours remaining, 207.980469 MB of memory in use. ENERGY: 4746800 699.8468 2079.1882 1938.4863 111.7470 -206351.5499 17888.1298 0.0000 0.0000 34056.2696 -149577.8823 297.4219 -183634.1519 -149478.4072 297.9646 33.8591 62.8343 557599.1251 -9.8732 -10.0350 PRESSURE: 4747000 -36.2562 -67.4832 12.3831 -67.4848 369.132 -2.87446 12.3831 -2.87525 -103.207 GPRESSURE: 4747000 -3.35393 -28.0389 -80.867 -108.251 389.266 -19.0902 -9.07234 27.8325 -53.6109 PRESSAVG: 4747000 -75.906 -82.0494 13.2323 -82.0494 58.3717 -1.55935 13.2324 -1.55931 35.3187 GPRESSAVG: 4747000 -74.0704 -79.3849 13.1605 -83.9239 56.6773 -1.72839 11.4818 -2.9237 35.302 TIMING: 4747000 CPU: 14276.4, 0.00303443/step Wall: 14276.4, 0.00303443/step, 0.213253 hours remaining, 207.980469 MB of memory in use. ENERGY: 4747000 755.5475 2110.5727 1925.1164 117.4227 -206188.1862 17865.5156 0.0000 0.0000 34143.2339 -149270.7773 298.1814 -183414.0113 -149184.1620 298.0034 76.5562 110.7671 558781.3284 5.9281 5.9696 PRESSURE: 4747200 -120.996 126.337 -192.238 126.338 -43.1868 -125.398 -192.239 -125.397 108.914 GPRESSURE: 4747200 -105.898 89.0387 -130.593 128.703 -1.81942 -128.906 -156.493 -91.1987 146.718 PRESSAVG: 4747200 -4.82211 -35.2065 30.6249 -35.2065 -60.3821 17.4684 30.6248 17.4685 85.5615 GPRESSAVG: 4747200 -6.96482 -36.2368 32.2505 -35.2424 -58.9648 18.1936 31.6153 19.3048 86.2663 TIMING: 4747200 CPU: 14277, 0.00303179/step Wall: 14277, 0.00303179/step, 0.212899 hours remaining, 207.980469 MB of memory in use. ENERGY: 4747200 752.8914 2066.0576 1943.7785 110.5541 -206520.1530 18017.5722 0.0000 0.0000 34282.6210 -149346.6783 299.3987 -183629.2992 -149252.2600 298.8532 -18.4231 13.0001 558533.1475 6.7858 6.7789 PRESSURE: 4747400 -429.725 52.5321 -14.2936 52.5338 51.0504 38.0958 -14.2921 38.0944 -90.2661 GPRESSURE: 4747400 -377.838 49.4086 -5.12956 18.1767 141.865 28.6215 -45.8605 -6.84343 -125.854 PRESSAVG: 4747400 -27.4044 21.6836 42.7909 21.6836 -32.6263 -16.4505 42.7909 -16.4504 88.7079 GPRESSAVG: 4747400 -27.1264 19.765 42.4931 21.8605 -32.3321 -17.9396 44.6909 -16.3993 87.9841 TIMING: 4747400 CPU: 14277.6, 0.00303929/step Wall: 14277.6, 0.00303929/step, 0.213257 hours remaining, 207.980469 MB of memory in use. ENERGY: 4747400 771.1228 2082.3634 1937.8762 111.3925 -206037.1727 17737.5833 0.0000 0.0000 34045.6850 -149351.1494 297.3294 -183396.8345 -149254.0164 299.4968 -156.3134 -120.6091 558683.7339 9.5591 9.5085 PRESSURE: 4747600 -231.152 -67.4999 -36.7897 -67.4997 -80.9041 -134.76 -36.7894 -134.757 154.347 GPRESSURE: 4747600 -255.451 -13.364 -98.2655 -55.7634 -4.4317 -115.218 -0.414367 -162.042 201.024 PRESSAVG: 4747600 0.48737 -28.0358 16.4254 -28.0358 -30.5464 -12.0193 16.4253 -12.0192 0.569314 GPRESSAVG: 4747600 1.28232 -26.1265 15.302 -26.7823 -31.3332 -10.2073 16.5347 -11.3875 0.577749 TIMING: 4747600 CPU: 14278.2, 0.00303548/step Wall: 14278.2, 0.00303548/step, 0.212821 hours remaining, 207.980469 MB of memory in use. ENERGY: 4747600 779.5451 2148.7870 1938.1504 99.8172 -206349.4562 17803.8896 0.0000 0.0000 34459.9416 -149119.3254 300.9472 -183579.2670 -149021.3815 299.1639 -52.5696 -19.6196 558768.7372 -9.8299 -9.8244 PRESSURE: 4747800 35.1888 88.8777 -82.1916 88.8776 112.53 -0.513231 -82.191 -0.514023 -34.1598 GPRESSURE: 4747800 56.0342 -43.8444 -14.2457 89.2455 141.95 -12.1693 -102.334 104.265 14.8775 PRESSAVG: 4747800 -35.7125 15.3004 10.0775 15.3004 -9.07343 -38.3575 10.0775 -38.3576 48.4176 GPRESSAVG: 4747800 -37.313 13.422 8.71119 13.3462 -8.32636 -40.1247 9.18711 -39.1412 48.4976 TIMING: 4747800 CPU: 14278.8, 0.00304425/step Wall: 14278.8, 0.00304425/step, 0.213267 hours remaining, 207.980469 MB of memory in use. ENERGY: 4747800 745.2466 2136.2254 1919.5562 115.4457 -206438.6836 17894.8201 0.0000 0.0000 34579.0349 -149048.3547 301.9873 -183627.3896 -148956.0114 299.6802 37.8531 70.9539 556854.2124 1.2105 0.9527 PRESSURE: 4748000 -184.818 90.6166 70.7593 90.6175 -106.197 -237.056 70.7585 -237.056 96.0334 GPRESSURE: 4748000 -90.3555 25.02 15.9961 110.204 -36.0121 -276.524 108.279 -143.814 36.8409 PRESSAVG: 4748000 -36.4321 -9.13335 18.43 -9.13334 38.1494 11.73 18.4299 11.7299 -12.5229 GPRESSAVG: 4748000 -35.0166 -9.59007 19.8855 -7.73563 35.864 11.6814 18.1158 11.9482 -11.4219 TIMING: 4748000 CPU: 14279.4, 0.00305951/step Wall: 14279.4, 0.00305951/step, 0.214166 hours remaining, 207.980469 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: 4748000 782.5422 2172.5162 1939.2989 110.9671 -206211.5719 17797.4874 0.0000 0.0000 34397.3148 -149011.4454 300.4003 -183408.7601 -148918.1640 299.7568 -64.9941 -29.8422 558104.6072 -3.6018 -3.5249 PRESSURE: 4748200 -102.153 146.106 -140.965 146.106 64.0071 -57.9859 -140.965 -57.9847 7.59854 GPRESSURE: 4748200 -64.5231 132.468 -65.5062 96.9936 49.9763 -42.0023 -130.594 -142.972 82.249 PRESSAVG: 4748200 -28.6508 -15.3345 21.8592 -15.3346 19.1861 -1.259 21.8591 -1.25891 19.5063 GPRESSAVG: 4748200 -29.5247 -12.7464 22.8266 -15.9755 20.3372 -0.0627653 21.7136 -2.35645 19.3893 TIMING: 4748200 CPU: 14280, 0.00303251/step Wall: 14280, 0.00303251/step, 0.212107 hours remaining, 207.980469 MB of memory in use. ENERGY: 4748200 744.4546 2123.3795 1938.6289 106.5910 -205983.8485 17698.8219 0.0000 0.0000 34271.3796 -149100.5931 299.3005 -183371.9727 -148995.0309 300.3444 -10.1823 22.5674 557404.4988 3.3472 3.4006 LDB: ============= START OF LOAD BALANCING ============== 14283.4 LDB: ============== END OF LOAD BALANCING =============== 14283.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14283.4 LDB: ============= START OF LOAD BALANCING ============== 14283.7 LDB: Largest compute 4820 load 0.029286 is 24.8% of average load 0.118134 LDB: Average compute 0.001733 is 1.5% of average load 0.118134 LDB: TIME 14283.8 LOAD: AVG 0.118134 MAX 0.215659 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.723 MB LDB: TIME 14283.8 LOAD: AVG 0.118134 MAX 0.215659 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.727 MB LDB: TIME 14283.8 LOAD: AVG 0.118134 MAX 0.215659 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.727 MB LDB: ============== END OF LOAD BALANCING =============== 14283.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14283.8 PRESSURE: 4748400 18.7581 56.7502 102.973 56.7494 163.492 153.903 102.974 153.903 119.984 GPRESSURE: 4748400 71.9616 77.4054 157.899 -18.4386 200.734 182.985 91.2337 31.5157 115.734 PRESSAVG: 4748400 -37.4876 86.86 71.3837 86.8601 41.847 53.9107 71.3837 53.9107 24.5744 GPRESSAVG: 4748400 -36.3332 86.2852 71.6345 87.4207 40.805 51.9127 70.4053 56.3029 24.2029 TIMING: 4748400 CPU: 14280.6, 0.00310573/step Wall: 14280.6, 0.00310573/step, 0.217056 hours remaining, 207.601562 MB of memory in use. ENERGY: 4748400 722.4704 2062.2172 1957.3435 120.7369 -206244.3433 17926.6939 0.0000 0.0000 34492.7376 -148962.1437 301.2337 -183454.8814 -148867.0130 300.6286 100.7447 129.4767 557263.8552 9.6446 9.5583 PRESSURE: 4748600 -150.411 219.681 56.7094 219.682 -275.611 -31.7164 56.7098 -31.7179 -106.327 GPRESSURE: 4748600 -152.856 209.268 137.806 229.621 -183.557 -34.2828 52.569 -36.8195 -91.2205 PRESSAVG: 4748600 17.8374 4.33374 31.9708 4.33382 -7.54757 27.9861 31.9709 27.986 11.4858 GPRESSAVG: 4748600 17.4913 5.77462 30.1423 3.55126 -7.3862 28.633 36.1974 26.6837 11.5947 TIMING: 4748600 CPU: 14281.2, 0.00301625/step Wall: 14281.2, 0.00301625/step, 0.210635 hours remaining, 207.601562 MB of memory in use. ENERGY: 4748600 761.6701 2097.2533 1968.0987 114.3252 -205650.1723 17413.3637 0.0000 0.0000 34367.6045 -148927.8568 300.1408 -183295.4613 -148821.4154 299.9595 -177.4499 -142.5444 557565.6276 7.2586 7.2333 PRESSURE: 4748800 -22.8571 -59.1713 32.6029 -59.1713 -53.4713 -92.7992 32.6023 -92.7993 281.405 GPRESSURE: 4748800 27.288 -45.805 -21.5828 -90.62 -50.5616 94.6419 -65.1556 -198.8 320.801 PRESSAVG: 4748800 -40.4777 -31.3682 61.9282 -31.3682 -38.5476 -13.5439 61.9281 -13.5438 53.8895 GPRESSAVG: 4748800 -41.1783 -30.6365 61.4598 -31.8847 -38.71 -10.7338 60.4557 -16.0059 54.6511 TIMING: 4748800 CPU: 14281.8, 0.00301528/step Wall: 14281.8, 0.00301528/step, 0.210399 hours remaining, 207.601562 MB of memory in use. ENERGY: 4748800 709.8264 2114.9161 1943.3235 119.4253 -205952.0357 17677.5008 0.0000 0.0000 34469.4029 -148917.6408 301.0299 -183387.0437 -148816.7194 300.3365 68.3590 99.1757 557267.9620 -8.3786 -8.4124 PRESSURE: 4749000 -139.126 13.8674 -104.995 13.8678 -128.344 45.7287 -104.996 45.7281 -98.926 GPRESSURE: 4749000 -54.4665 42.7537 -79.5468 21.6334 -145.502 95.9006 -94.1108 31.4459 -62.409 PRESSAVG: 4749000 -28.6722 -0.559353 -29.4684 -0.559408 -11.7061 6.54604 -29.4684 6.54604 -21.1582 GPRESSAVG: 4749000 -28.4051 -0.868168 -27.6418 -1.60348 -11.7422 5.16608 -32.4151 8.32771 -21.7319 TIMING: 4749000 CPU: 14282.5, 0.00345216/step Wall: 14282.5, 0.00345216/step, 0.240692 hours remaining, 207.601562 MB of memory in use. ENERGY: 4749000 771.2299 2091.5397 1961.5069 113.6385 -206002.7807 17732.7505 0.0000 0.0000 34437.8491 -148894.2661 300.7543 -183332.1151 -148801.1081 300.1837 -122.1317 -87.4592 558184.4126 -20.5122 -20.6264 PRESSURE: 4749200 -77.5002 -127.652 188.015 -127.652 -136.432 -48.5461 188.015 -48.5453 -178.327 GPRESSURE: 4749200 -90.8063 -196.085 161.814 -66.4409 -31.1433 -63.0341 169.62 23.2914 -172.945 PRESSAVG: 4749200 4.24456 16.3699 38.3188 16.3698 56.2004 28.7581 38.3189 28.7581 -27.7799 GPRESSAVG: 4749200 3.70784 15.743 37.3223 19.0486 55.8615 27.8652 39.1868 29.4532 -27.2836 TIMING: 4749200 CPU: 14283.1, 0.00310698/step Wall: 14283.1, 0.00310698/step, 0.216453 hours remaining, 207.601562 MB of memory in use. ENERGY: 4749200 773.9184 2114.9725 1947.1697 106.1134 -205720.7356 17575.9027 0.0000 0.0000 34336.0304 -148866.6284 299.8651 -183202.6588 -148778.7475 300.0772 -130.7532 -98.2981 558960.2357 10.8884 10.7619 PRESSURE: 4749400 -123.409 -164.546 -53.1683 -164.547 -184.406 -143.153 -53.1677 -143.152 104.21 GPRESSURE: 4749400 -81.9994 -129.023 -53.0249 -203.149 -137.065 -103.617 -63.3609 -216.735 108.14 PRESSAVG: 4749400 1.99165 -32.9829 48.0276 -32.9829 21.7718 16.858 48.0276 16.858 13.2629 GPRESSAVG: 4749400 3.01784 -34.712 49.2762 -34.4318 21.4423 17.7429 49.2406 16.3742 12.3434 TIMING: 4749400 CPU: 14283.8, 0.00306029/step Wall: 14283.8, 0.00306029/step, 0.21303 hours remaining, 207.601562 MB of memory in use. ENERGY: 4749400 746.7840 2057.7432 1942.1588 115.9395 -205946.2500 17615.5062 0.0000 0.0000 34599.9031 -148868.2153 302.1696 -183468.1183 -148774.6114 300.4331 -67.8683 -36.9746 558994.3449 12.3421 12.2679 PRESSURE: 4749600 -146.814 19.5273 7.88365 19.5269 22.7337 77.4236 7.88473 77.4231 66.2742 GPRESSURE: 4749600 -103.291 28.9289 7.81027 -22.5201 25.0178 113.888 10.8206 70.498 111.35 PRESSAVG: 4749600 -10.5619 -35.6408 7.19257 -35.6407 -31.844 -24.7083 7.19253 -24.7084 70.6236 GPRESSAVG: 4749600 -11.1635 -33.975 5.44436 -34.8871 -32.0037 -25.7972 7.83857 -23.4202 71.0834 TIMING: 4749600 CPU: 14284.4, 0.00304702/step Wall: 14284.4, 0.00304702/step, 0.211937 hours remaining, 207.601562 MB of memory in use. ENERGY: 4749600 759.3208 2140.1824 1949.8599 125.5182 -206143.5949 17895.0900 0.0000 0.0000 34314.0698 -148959.5539 299.6733 -183273.6237 -148874.2900 299.8888 -19.2687 11.0256 557919.6665 9.4059 9.3054 PRESSURE: 4749800 -44.2872 137.291 107.281 137.293 61.102 -91.5551 107.28 -91.5554 30.167 GPRESSURE: 4749800 36.0965 78.085 54.8041 158.785 60.5544 -79.3068 147.691 -64.9763 51.3318 PRESSAVG: 4749800 24.5807 -36.5065 -4.36517 -36.5063 -74.0536 47.4109 -4.36522 47.4108 22.7728 GPRESSAVG: 4749800 26.167 -36.2673 -2.74285 -36.5287 -75.254 46.6679 -6.23515 46.8207 22.4522 TIMING: 4749800 CPU: 14285, 0.00302942/step Wall: 14285, 0.00302942/step, 0.210544 hours remaining, 207.601562 MB of memory in use. ENERGY: 4749800 716.7888 2085.5811 1962.4109 110.7856 -206065.3850 17736.2255 0.0000 0.0000 34492.5095 -148961.0836 301.2317 -183453.5931 -148866.4636 300.1819 15.6606 49.3276 558388.9770 -8.9001 -8.8783 PRESSURE: 4750000 -150.292 136.683 -13.1321 136.683 -164.345 64.2736 -13.1308 64.2734 -232.488 GPRESSURE: 4750000 -85.3106 79.714 -43.9998 216.418 -175.464 24.3186 8.26249 105.424 -193.886 PRESSAVG: 4750000 35.2111 43.2535 6.34905 43.2535 -44.5169 15.6465 6.34899 15.6465 25.2861 GPRESSAVG: 4750000 33.8034 42.7893 5.91946 42.8019 -42.2387 18.9 7.27829 13.791 24.0349 TIMING: 4750000 CPU: 14285.6, 0.00302437/step Wall: 14285.6, 0.00302437/step, 0.210026 hours remaining, 207.601562 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: 4750000 759.5540 2079.2041 1963.7881 115.0936 -205790.4396 17584.2175 0.0000 0.0000 34321.4033 -148967.1790 299.7374 -183288.5823 -148876.8346 299.5443 -182.3750 -151.5536 558876.1946 5.3268 5.1999 PRESSURE: 4750200 -55.4173 -64.1636 -15.55 -64.1627 -274.941 -67.9903 -15.5503 -67.991 -169.799 GPRESSURE: 4750200 -6.85331 -35.7321 47.9499 -48.2371 -319.287 -82.477 -106.934 -56.922 -89.8838 PRESSAVG: 4750200 48.9235 6.60837 16.3539 6.60845 -0.602297 -5.96284 16.3539 -5.96288 -26.1914 GPRESSAVG: 4750200 49.0388 7.97045 16.1553 5.30522 -2.29546 -8.32371 17.0683 -4.90055 -25.0558 TIMING: 4750200 CPU: 14286.2, 0.00304592/step Wall: 14286.2, 0.00304592/step, 0.211353 hours remaining, 207.601562 MB of memory in use. ENERGY: 4750200 704.1349 2191.6319 1947.7061 118.9663 -205576.2745 17394.6164 0.0000 0.0000 34223.0239 -148996.1951 298.8782 -183219.2190 -148901.4489 299.8133 -166.7191 -138.6748 559058.8049 7.3766 7.2292 PRESSURE: 4750400 -97.9024 98.4443 146.622 98.4442 217.707 30.5657 146.622 30.5669 339.731 GPRESSURE: 4750400 -110.57 102.521 187.565 93.2715 307.948 23.3331 127.415 -13.8591 365.668 PRESSAVG: 4750400 14.1365 31.2716 68.437 31.2716 40.9492 -20.8079 68.437 -20.808 -40.9918 GPRESSAVG: 4750400 13.3912 30.34 68.1859 31.8507 42.5505 -22.3566 67.7231 -18.9894 -41.8817 TIMING: 4750400 CPU: 14286.8, 0.00302263/step Wall: 14286.8, 0.00302263/step, 0.209569 hours remaining, 207.601562 MB of memory in use. ENERGY: 4750400 706.5104 2145.9218 1925.7692 116.9157 -206083.9171 18007.9973 0.0000 0.0000 34251.0879 -148929.7147 299.1233 -183180.8026 -148830.6244 300.3420 153.1785 187.6817 558091.5875 4.6980 4.6867 PRESSURE: 4750600 -64.8359 193.243 21.9083 193.245 57.1352 -11.0368 21.9084 -11.0359 360.15 GPRESSURE: 4750600 -7.55285 181.007 29.1679 127.552 59.274 -16.267 2.32233 28.0506 403.255 PRESSAVG: 4750600 18.9116 31.5812 41.1905 31.5813 30.9682 0.293274 41.1905 0.293209 17.9248 GPRESSAVG: 4750600 19.0497 31.0494 42.2534 32.0118 30.0661 -1.07307 42.8998 0.643952 18.1966 TIMING: 4750600 CPU: 14287.4, 0.00303369/step Wall: 14287.4, 0.00303369/step, 0.210167 hours remaining, 207.601562 MB of memory in use. ENERGY: 4750600 722.8462 2125.7541 1938.6988 108.7038 -206073.0670 17931.3647 0.0000 0.0000 34101.4717 -149144.2276 297.8166 -183245.6993 -149052.3200 299.7526 117.4830 151.6586 556965.3833 22.6015 22.4375 PRESSURE: 4750800 8.35123 50.1083 -13.4397 50.1094 67.3963 45.6901 -13.4399 45.6918 83.9524 GPRESSURE: 4750800 115.337 79.7794 -52.4553 104.286 73.4984 58.2001 24.655 31.3492 72.0697 PRESSAVG: 4750800 -23.0938 32.6145 -5.43477 32.6146 -20.4229 -20.7775 -5.43486 -20.7775 25.5416 GPRESSAVG: 4750800 -23.0539 32.8351 -6.73265 30.6116 -19.7142 -18.1411 -4.44892 -21.9662 25.4994 TIMING: 4750800 CPU: 14288, 0.00303284/step Wall: 14288, 0.00303284/step, 0.20994 hours remaining, 207.601562 MB of memory in use. ENERGY: 4750800 704.6840 2104.0968 1954.5835 121.8119 -205775.8043 17723.5292 0.0000 0.0000 34129.7858 -149037.3131 298.0639 -183167.0989 -148935.9679 298.9705 53.2333 86.9683 557668.5709 -5.9917 -5.7562 PRESSURE: 4751000 -47.3887 39.6372 170.469 39.6382 -112.205 114.922 170.47 114.922 -11.3856 GPRESSURE: 4751000 -85.3741 64.2726 137.345 34.2124 -35.5181 142.343 238.21 64.5395 42.1459 PRESSAVG: 4751000 35.4025 0.279805 52.472 0.279777 36.4331 -87.1545 52.472 -87.1545 -33.5974 GPRESSAVG: 4751000 36.2032 1.80284 53.4018 2.34191 35.634 -85.5444 51.8648 -87.7684 -33.7941 TIMING: 4751000 CPU: 14288.6, 0.00305584/step Wall: 14288.6, 0.00305584/step, 0.211362 hours remaining, 207.601562 MB of memory in use. ENERGY: 4751000 748.3451 2141.3343 1947.2671 120.8962 -205995.7219 17763.3302 0.0000 0.0000 34400.6237 -148873.9253 300.4292 -183274.5490 -148781.2180 299.4080 -56.9931 -26.2488 558474.8364 12.7461 12.6810 PRESSURE: 4751200 -55.2289 -138.203 -100.569 -138.203 34.9253 -74.1876 -100.569 -74.186 -123.624 GPRESSURE: 4751200 -11.4013 -80.7483 -24.7199 -123.265 90.3372 -68.1375 -106.893 -39.1998 -118.71 PRESSAVG: 4751200 -0.299269 -43.7409 -3.61066 -43.7409 60.6941 -35.5958 -3.61067 -35.5959 -49.2925 GPRESSAVG: 4751200 -0.101078 -46.2354 -4.29724 -42.9925 60.5716 -37.5373 -3.29175 -35.3951 -49.5948 TIMING: 4751200 CPU: 14289.2, 0.00301622/step Wall: 14289.2, 0.00301622/step, 0.208454 hours remaining, 207.601562 MB of memory in use. ENERGY: 4751200 720.3173 2131.1573 1948.9472 124.6634 -206321.7735 17834.6070 0.0000 0.0000 34379.4558 -149182.6254 300.2443 -183562.0812 -149079.3279 299.4253 -47.9758 -13.2580 558085.6581 3.7008 3.6252 PRESSURE: 4751400 -320.96 92.5108 74.5962 92.5111 -24.8134 -14.354 74.5967 -14.3547 -154.558 GPRESSURE: 4751400 -274.43 117.529 -21.0303 78.2865 -14.5835 -3.3432 143.624 -55.3808 -106.167 PRESSAVG: 4751400 30.6932 -41.9374 16.4791 -41.9374 -14.6933 -63.0062 16.4791 -63.0064 31.3406 GPRESSAVG: 4751400 30.4574 -39.4322 16.6262 -42.5444 -13.6943 -61.7371 16.5462 -63.1318 31.1497 TIMING: 4751400 CPU: 14289.8, 0.00302285/step Wall: 14289.8, 0.00302285/step, 0.208745 hours remaining, 207.601562 MB of memory in use. ENERGY: 4751400 738.7122 2105.4284 1956.9004 108.3979 -206172.2773 17692.9029 0.0000 0.0000 34405.5360 -149164.3995 300.4721 -183569.9355 -149063.7925 299.6376 -166.7774 -131.7269 559515.9810 15.7802 15.9709 PRESSURE: 4751600 -18.5018 4.12437 -81.0882 4.12413 -98.7493 -97.6553 -81.0873 -97.6553 -261.049 GPRESSURE: 4751600 18.9677 42.1323 -145.813 18.0221 -73.5608 -132.569 -112.816 -72.1548 -236.284 PRESSAVG: 4751600 0.0129 23.8234 -12.8595 23.8235 -1.0594 -85.4705 -12.8595 -85.4704 -0.0549576 GPRESSAVG: 4751600 -1.34541 19.9677 -12.6707 26.2231 -1.89287 -85.2391 -13.2205 -85.8354 1.9437 TIMING: 4751600 CPU: 14290.4, 0.00302185/step Wall: 14290.4, 0.00302185/step, 0.208508 hours remaining, 207.601562 MB of memory in use. ENERGY: 4751600 774.8198 2103.6420 1955.9040 125.5746 -206486.9939 17834.9052 0.0000 0.0000 34451.4428 -149240.7054 300.8730 -183692.1482 -149149.1281 299.7413 -126.0999 -96.9591 557619.2990 -0.3672 -0.4315 PRESSURE: 4751800 -180.287 108.922 72.4248 108.92 -387.045 95.8033 72.4264 95.8032 -156.855 GPRESSURE: 4751800 -116.046 26.2707 66.6247 153.624 -353.006 35.6298 23.1444 96.9702 -150.758 PRESSAVG: 4751800 60.2836 -16.2574 -38.2956 -16.2574 52.4973 -30.3999 -38.2956 -30.3999 -84.8277 GPRESSAVG: 4751800 60.8557 -13.5907 -37.8992 -20.4922 52.1141 -31.9812 -38.5064 -30.3323 -85.4088 TIMING: 4751800 CPU: 14291, 0.00303687/step Wall: 14291, 0.00303687/step, 0.209375 hours remaining, 207.601562 MB of memory in use. ENERGY: 4751800 805.7046 2094.0388 1948.6517 105.3639 -205696.9670 17500.7899 0.0000 0.0000 34164.6228 -149077.7954 298.3681 -183242.4182 -148977.1134 299.1275 -241.3955 -206.6033 558645.8039 9.3177 9.1870 PRESSURE: 4752000 -9.22421 -162.905 39.7523 -162.906 -13.6065 75.7552 39.7537 75.7565 -272.902 GPRESSURE: 4752000 19.4253 -194.754 133.799 -91.9296 12.711 109.136 67.2512 126.121 -233.18 PRESSAVG: 4752000 1.35865 -9.25498 -64.424 -9.25489 64.0014 18.971 -64.4239 18.971 -83.4443 GPRESSAVG: 4752000 2.84094 -10.0692 -64.2131 -8.04397 64.2864 18.7685 -62.9665 20.8644 -85.2151 TIMING: 4752000 CPU: 14291.6, 0.00305939/step Wall: 14291.6, 0.00305939/step, 0.210758 hours remaining, 207.601562 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: 4752000 803.0264 2122.1967 1952.4795 116.3458 -206235.5800 17733.3579 0.0000 0.0000 34405.4862 -149102.6874 300.4717 -183508.1737 -149008.4031 300.1717 -98.5777 -67.0145 558644.0047 -6.0281 -6.0293 PRESSURE: 4752200 261.891 106.382 187.957 106.382 6.47957 25.1845 187.956 25.1839 426.87 GPRESSURE: 4752200 324.237 134.165 191.075 133.291 31.5339 -11.4935 249.187 29.1445 436.637 PRESSAVG: 4752200 -28.986 -57.416 6.99276 -57.4161 62.1916 16.2489 6.9927 16.2489 -56.32 GPRESSAVG: 4752200 -30.2983 -57.8839 5.58316 -55.8314 62.1369 17.5349 5.74184 13.206 -55.2404 TIMING: 4752200 CPU: 14292.4, 0.00354761/step Wall: 14292.4, 0.00354761/step, 0.244194 hours remaining, 207.601562 MB of memory in use. ENERGY: 4752200 709.9152 2106.4296 1960.6818 111.8430 -206845.9344 18263.6015 0.0000 0.0000 34381.7568 -149311.7063 300.2644 -183693.4632 -149218.1471 299.3834 231.7470 264.1361 557235.0949 -7.7048 -7.8006 LDB: ============= START OF LOAD BALANCING ============== 14295.8 LDB: ============== END OF LOAD BALANCING =============== 14295.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14295.8 LDB: ============= START OF LOAD BALANCING ============== 14296.1 LDB: Largest compute 4820 load 0.028041 is 23.7% of average load 0.118156 LDB: Average compute 0.001735 is 1.5% of average load 0.118156 LDB: TIME 14296.1 LOAD: AVG 0.118156 MAX 0.214973 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.297 MB LDB: TIME 14296.1 LOAD: AVG 0.118156 MAX 0.214973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.5 MB LDB: TIME 14296.1 LOAD: AVG 0.118156 MAX 0.214973 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.5 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14296.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14296.1 PRESSURE: 4752400 -99.9557 71.8901 117.709 71.8894 54.5655 -41.7536 117.708 -41.753 -175.37 GPRESSURE: 4752400 -1.07625 91.5072 79.188 97.1568 87.4538 -83.9568 123.716 29.6308 -211.696 PRESSAVG: 4752400 51.7643 19.1734 26.9129 19.1733 -5.82094 -15.4987 26.9129 -15.4987 -42.8689 GPRESSAVG: 4752400 52.1255 19.3627 25.3122 20.2142 -5.90315 -16.4416 27.1078 -15.1193 -43.3087 TIMING: 4752400 CPU: 14293, 0.00314197/step Wall: 14293, 0.00314198/step, 0.216098 hours remaining, 208.484375 MB of memory in use. ENERGY: 4752400 719.3427 2087.0550 1974.2039 112.8877 -206090.7786 17747.8414 0.0000 0.0000 34152.4416 -149297.0063 298.2618 -183449.4479 -149208.5861 298.9496 -73.5869 -41.7729 558591.9423 1.0248 0.9712 PRESSURE: 4752600 -98.8992 5.45317 -14.8118 5.45537 127.336 -53.9272 -14.8115 -53.9267 -218.583 GPRESSURE: 4752600 -18.0096 -27.7179 7.40212 -27.3233 131.63 -73.2889 -55.0725 -58.8853 -203.294 PRESSAVG: 4752600 33.5996 34.5099 4.41757 34.5099 30.871 -23.4195 4.41761 -23.4195 -43.8657 GPRESSAVG: 4752600 33.3967 36.3361 6.12531 30.2455 31.2632 -21.3002 4.40481 -22.7323 -44.0996 TIMING: 4752600 CPU: 14293.6, 0.00303489/step Wall: 14293.6, 0.00303489/step, 0.208564 hours remaining, 208.484375 MB of memory in use. ENERGY: 4752600 739.4045 2125.4460 1967.1594 111.9350 -206063.4548 17753.8686 0.0000 0.0000 34064.8911 -149300.7502 297.4972 -183365.6413 -149203.9560 297.9680 -63.3821 -29.8914 558091.2759 6.8683 6.8534 PRESSURE: 4752800 -116.401 31.7682 149.094 31.7657 124.249 36.736 149.094 36.7363 -64.1437 GPRESSURE: 4752800 -71.4434 27.0616 159.157 86.4972 85.8122 -85.1222 127.572 112.586 20.0101 PRESSAVG: 4752800 -9.0925 -4.89445 -6.54956 -4.89453 45.1173 -18.5553 -6.5496 -18.5552 -5.57845 GPRESSAVG: 4752800 -7.77639 -7.00363 -7.9364 -3.85375 43.1725 -21.589 -5.46506 -18.0157 -4.55714 TIMING: 4752800 CPU: 14294.2, 0.00306925/step Wall: 14294.2, 0.00306925/step, 0.210755 hours remaining, 208.484375 MB of memory in use. ENERGY: 4752800 740.0104 2082.7980 1971.2112 118.5382 -206405.8547 17788.2359 0.0000 0.0000 34352.4699 -149352.5911 300.0087 -183705.0610 -149261.3815 298.9656 -18.7652 11.4597 558270.1323 10.1488 10.2797 PRESSURE: 4753000 132.882 28.0301 -88.3704 28.0303 258.953 -34.4732 -88.3707 -34.4723 315.149 GPRESSURE: 4753000 200.766 46.3597 -2.10262 -10.4849 284.32 -31.6767 -185.829 -1.71422 310.157 PRESSAVG: 4753000 -88.8667 -13.5832 13.4065 -13.5832 43.546 44.506 13.4064 44.506 63.0517 GPRESSAVG: 4753000 -90.653 -12.7916 13.8183 -10.6918 44.5993 44.5944 10.6486 46.0286 63.718 TIMING: 4753000 CPU: 14294.8, 0.00306045/step Wall: 14294.8, 0.00306045/step, 0.209981 hours remaining, 208.484375 MB of memory in use. ENERGY: 4753000 683.1380 2081.1158 1944.2888 116.3338 -206463.8157 18146.1703 0.0000 0.0000 34394.5997 -149098.1694 300.3766 -183492.7691 -149004.0075 299.1593 235.6610 265.0809 557181.0534 5.9103 5.8881 PRESSURE: 4753200 125.227 42.1167 21.1055 42.1189 -227.733 -113.762 21.1061 -113.761 49.8249 GPRESSURE: 4753200 220.727 70.1239 31.8907 21.4675 -187.204 -135.319 55.9447 -80.8455 18.5494 PRESSAVG: 4753200 -29.9916 -2.01048 63.6831 -2.01047 -2.8934 49.5668 63.6832 49.5667 25.9339 GPRESSAVG: 4753200 -29.4614 -1.73493 64.2691 -4.48611 -2.53147 50.231 64.7022 48.8114 24.7519 TIMING: 4753200 CPU: 14295.4, 0.00302491/step Wall: 14295.4, 0.00302491/step, 0.207374 hours remaining, 208.484375 MB of memory in use. ENERGY: 4753200 742.6538 2062.3967 1947.1881 121.6027 -206195.2917 17891.5313 0.0000 0.0000 34425.6560 -149004.2630 300.6478 -183429.9190 -148901.0957 300.0311 -17.5602 17.3575 558481.4091 -2.3170 -2.4137 PRESSURE: 4753400 -76.2759 -101.369 -50.6339 -101.369 -407.364 111.111 -50.6349 111.11 181.092 GPRESSURE: 4753400 -40.8463 -65.2655 -21.781 -79.1727 -373.454 63.1083 -103.352 134.155 225.567 PRESSAVG: 4753400 -0.609328 49.2548 -11.6356 49.2548 -49.4217 32.2371 -11.6356 32.237 13.3743 GPRESSAVG: 4753400 0.0747843 49.8302 -14.3955 48.2554 -49.1889 32.7613 -9.44169 31.7652 12.8604 TIMING: 4753400 CPU: 14296, 0.0030264/step Wall: 14296, 0.0030264/step, 0.207309 hours remaining, 208.484375 MB of memory in use. ENERGY: 4753400 755.6330 2105.4805 1970.3726 113.3711 -206149.8435 17814.9847 0.0000 0.0000 34479.9267 -148910.0749 301.1218 -183390.0016 -148812.2430 299.2104 -100.8493 -62.9111 558254.7895 -12.2189 -12.0846 PRESSURE: 4753600 -147.331 135.052 -27.0804 135.052 13.4148 -61.693 -27.0802 -61.6933 -126.409 GPRESSURE: 4753600 -88.7505 157.24 17.9312 83.2889 7.12552 -70.3535 20.7656 -95.3125 -92.1366 PRESSAVG: 4753600 13.7588 -31.1349 18.0567 -31.1348 -8.48495 -61.009 18.0566 -61.009 42.98 GPRESSAVG: 4753600 13.9462 -31.6602 20.8905 -28.3961 -10.0939 -61.7664 15.7757 -61.6369 44.1442 TIMING: 4753600 CPU: 14296.6, 0.00303911/step Wall: 14296.6, 0.00303911/step, 0.20801 hours remaining, 208.484375 MB of memory in use. ENERGY: 4753600 743.5378 2006.8630 1943.4823 113.3107 -205677.2086 17678.3309 0.0000 0.0000 34116.1762 -149075.5077 297.9451 -183191.6839 -148977.0819 299.0602 -86.7752 -57.9205 559023.2676 16.0846 15.9988 PRESSURE: 4753800 63.2975 90.9589 -65.8142 90.9594 -3.53665 200.081 -65.8142 200.082 0.204717 GPRESSURE: 4753800 75.1922 146.1 3.06422 57.585 18.8609 223.858 -148.342 263.679 68.9869 PRESSAVG: 4753800 49.5298 3.51105 10.4327 3.511 17.6572 -26.199 10.4327 -26.199 -33.7566 GPRESSAVG: 4753800 49.8947 3.96519 9.10081 2.11647 17.6129 -24.7446 10.4644 -24.953 -33.9305 TIMING: 4753800 CPU: 14297.2, 0.00302205/step Wall: 14297.2, 0.00302205/step, 0.206675 hours remaining, 208.484375 MB of memory in use. ENERGY: 4753800 741.8255 2094.5633 1932.0000 122.3892 -206299.4680 17911.2892 0.0000 0.0000 34421.1913 -149076.2095 300.6088 -183497.4008 -148978.3190 299.4677 19.9885 54.3467 557360.8737 11.1435 11.1924 PRESSURE: 4754000 148.006 -110.692 168.346 -110.691 -89.2555 59.537 168.345 59.5372 45.6641 GPRESSURE: 4754000 131.396 -65.5343 143.74 -13.1224 -40.2626 82.8022 141.794 36.9507 110.559 PRESSAVG: 4754000 -12.718 1.91143 7.53565 1.91149 41.5066 16.1741 7.5356 16.1741 -35.2441 GPRESSAVG: 4754000 -12.7624 -0.0467807 7.30308 4.14591 42.566 17.0011 7.96206 15.1232 -36.2495 TIMING: 4754000 CPU: 14297.8, 0.00302115/step Wall: 14297.8, 0.00302115/step, 0.206445 hours remaining, 208.484375 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: 4754000 753.2783 2094.6699 1939.6204 120.3743 -206006.4600 17879.1150 0.0000 0.0000 34226.5796 -148992.8225 298.9092 -183219.4021 -148900.5093 299.8329 34.8049 67.2310 558227.5225 -2.1519 -2.1486 PRESSURE: 4754200 -125.079 -124.747 -9.74143 -124.747 -25.5622 -117.629 -9.74165 -117.63 -39.939 GPRESSURE: 4754200 -19.5006 -50.3647 -73.1042 -139.407 -16.0748 -76.3718 65.7425 -146.216 -49.1965 PRESSAVG: 4754200 -65.8124 14.1425 57.1007 14.1425 12.0001 -27.7661 57.1007 -27.7662 45.0726 GPRESSAVG: 4754200 -65.7997 16.5578 57.0378 12.2065 12.7557 -28.6178 57.6036 -26.8263 44.3382 TIMING: 4754200 CPU: 14298.5, 0.00303219/step Wall: 14298.5, 0.00303219/step, 0.207031 hours remaining, 208.484375 MB of memory in use. ENERGY: 4754200 746.4700 2083.9620 1948.1960 113.5138 -206066.1806 17726.0611 0.0000 0.0000 34474.3532 -148973.6245 301.0731 -183447.9777 -148875.0499 299.8442 -63.5266 -28.2573 559133.6577 -2.9132 -2.9019 PRESSURE: 4754400 -149.651 -101.777 -71.2219 -101.778 82.4718 -41.0491 -71.2211 -41.0484 28.7262 GPRESSURE: 4754400 -133.561 -160.201 -20.7687 -23.2452 79.3181 -52.8105 -114.345 5.73913 111.39 PRESSAVG: 4754400 -86.6642 -9.33246 -18.9582 -9.33245 34.088 -5.93646 -18.9581 -5.93645 7.5971 GPRESSAVG: 4754400 -86.6037 -9.16842 -19.0501 -10.1213 34.1098 -6.01243 -19.1973 -6.0146 7.90348 TIMING: 4754400 CPU: 14299.1, 0.00301553/step Wall: 14299.1, 0.00301553/step, 0.205726 hours remaining, 208.484375 MB of memory in use. ENERGY: 4754400 741.4062 2114.6194 1960.3125 113.7850 -205594.5473 17514.7392 0.0000 0.0000 34324.8308 -148824.8543 299.7673 -183149.6850 -148736.5398 299.8585 -12.8177 19.0489 557338.5570 -14.9930 -14.8635 PRESSURE: 4754600 -71.7477 -173.362 2.04792 -173.362 54.6883 98.6401 2.04863 98.6385 105.697 GPRESSURE: 4754600 -35.9237 -163.46 -12.1381 -162.034 86.7223 66.775 16.1456 158.955 144.439 PRESSAVG: 4754600 -39.9683 10.0548 42.3923 10.0548 5.13648 -10.9084 42.3924 -10.9084 46.5638 GPRESSAVG: 4754600 -41.0057 8.96867 44.9714 12.3561 5.21964 -11.3026 40.3911 -11.815 47.6421 TIMING: 4754600 CPU: 14299.7, 0.0030215/step Wall: 14299.7, 0.0030215/step, 0.205966 hours remaining, 208.484375 MB of memory in use. ENERGY: 4754600 758.8534 2086.5156 1962.2982 118.1044 -205706.2545 17573.5520 0.0000 0.0000 34364.5157 -148842.4151 300.1139 -183206.9309 -148747.5207 300.2231 29.5460 65.0790 555944.3275 3.9107 3.9520 PRESSURE: 4754800 49.6842 -183.025 -59.0498 -183.023 33.7406 -1.57824 -59.0487 -1.57938 -259.394 GPRESSURE: 4754800 108.386 -178.728 -176.785 -140.107 12.1924 18.1819 -37.2153 -30.9105 -206.567 PRESSAVG: 4754800 -31.8878 -38.1423 31.8673 -38.1423 57.4857 5.59312 31.8673 5.59325 17.6867 GPRESSAVG: 4754800 -30.606 -37.0649 28.9446 -37.7381 57.5907 8.04022 33.3792 3.44789 15.9898 TIMING: 4754800 CPU: 14300.3, 0.00302838/step Wall: 14300.3, 0.00302838/step, 0.206266 hours remaining, 208.484375 MB of memory in use. ENERGY: 4754800 767.5454 2091.1732 1951.9216 97.6177 -206107.1581 17790.6181 0.0000 0.0000 34519.2069 -148889.0751 301.4648 -183408.2820 -148800.9191 300.1419 -58.6563 -28.6629 558328.9670 14.4282 14.3248 PRESSURE: 4755000 25.8225 -10.1564 -23.7332 -10.1564 176.371 -21.1871 -23.7336 -21.1876 254.844 GPRESSURE: 4755000 92.7572 -27.5217 -85.1707 71.6262 200.363 -54.6438 -17.211 -43.9264 256.648 PRESSAVG: 4755000 23.8382 9.23278 -39.1664 9.23279 10.3078 -12.6097 -39.1664 -12.6097 -13.5517 GPRESSAVG: 4755000 23.9383 8.24198 -39.2802 9.66151 9.64538 -14.2618 -41.0764 -9.3766 -12.6927 TIMING: 4755000 CPU: 14300.9, 0.00301072/step Wall: 14300.9, 0.00301072/step, 0.204897 hours remaining, 208.484375 MB of memory in use. ENERGY: 4755000 754.9872 2066.8350 1942.8969 109.9546 -206199.8516 18098.4976 0.0000 0.0000 34267.5989 -148959.0815 299.2675 -183226.6804 -148863.8114 299.3458 152.3458 183.2560 558708.1800 6.8648 6.9637 PRESSURE: 4755200 183.97 1.8732 1.84397 1.87432 291.002 -106.267 1.84452 -106.265 39.4634 GPRESSURE: 4755200 199.593 -69.9536 -21.6804 -4.03418 323.315 -86.8508 30.4144 -148.671 84.5438 PRESSAVG: 4755200 36.7753 -41.0528 -22.3353 -41.0528 -24.6403 -45.0401 -22.3353 -45.0401 -3.19227 GPRESSAVG: 4755200 36.311 -42.0084 -21.4949 -42.5856 -23.7984 -46.4458 -23.3301 -44.4989 -3.06146 TIMING: 4755200 CPU: 14301.5, 0.00300803/step Wall: 14301.5, 0.00300803/step, 0.204546 hours remaining, 208.484375 MB of memory in use. ENERGY: 4755200 754.9705 2068.0029 1958.3754 94.0058 -206424.8514 18192.6345 0.0000 0.0000 34534.7283 -148822.1339 301.6004 -183356.8622 -148718.4684 300.4276 171.4787 202.4841 558759.2982 2.9809 3.1504 PRESSURE: 4755400 -185.449 108.48 -11.8969 108.479 140.625 95.4055 -11.8964 95.4049 -296.795 GPRESSURE: 4755400 -203.597 72.8646 5.59444 83.084 143.068 92.6993 -7.08177 6.48933 -189.279 PRESSAVG: 4755400 13.1029 27.6751 -28.8948 27.6752 33.1217 -26.164 -28.8947 -26.164 -31.9244 GPRESSAVG: 4755400 13.8181 28.9716 -28.1438 27.6855 31.4471 -25.6522 -27.5228 -28.7702 -31.7315 TIMING: 4755400 CPU: 14302.1, 0.00322027/step Wall: 14302.1, 0.00322027/step, 0.218799 hours remaining, 208.484375 MB of memory in use. ENERGY: 4755400 735.5087 2122.8447 1945.1884 114.9001 -205887.2836 17781.9234 0.0000 0.0000 34446.4575 -148740.4608 300.8295 -183186.9183 -148654.6835 300.3558 -113.8731 -83.2694 561327.4889 4.7667 4.5112 PRESSURE: 4755600 531.365 -11.5898 46.0026 -11.59 144.737 194.793 46.002 194.793 -61.9554 GPRESSURE: 4755600 519.625 5.86802 1.58206 -33.7048 190.15 137.741 48.856 242.405 6.61022 PRESSAVG: 4755600 34.4058 9.83965 14.5888 9.83967 69.9714 29.501 14.5888 29.5011 -84.7636 GPRESSAVG: 4755600 33.9494 11.7026 13.3451 9.87097 70.5405 30.6181 16.0662 32.6734 -85.2889 TIMING: 4755600 CPU: 14302.7, 0.00316995/step Wall: 14302.7, 0.00316995/step, 0.215204 hours remaining, 208.484375 MB of memory in use. ENERGY: 4755600 740.9954 2042.1143 1978.0162 112.6265 -206342.6996 18323.1145 0.0000 0.0000 34453.2263 -148692.6063 300.8886 -183145.8327 -148596.3608 300.1358 204.7154 238.7950 559612.6995 6.5378 6.4003 PRESSURE: 4755800 126.993 -19.751 156.374 -19.7534 -295.796 149.126 156.374 149.127 -150.908 GPRESSURE: 4755800 173.395 -12.5032 123.029 3.40714 -253.267 105.084 180.563 186.771 -139.512 PRESSAVG: 4755800 23.3429 23.5947 -7.02846 23.5946 48.3405 13.2783 -7.02842 13.2783 -89.573 GPRESSAVG: 4755800 22.7909 20.5326 -7.22365 24.1385 49.2818 10.8881 -8.09701 12.2794 -89.5282 TIMING: 4755800 CPU: 14303.4, 0.0030286/step Wall: 14303.4, 0.0030286/step, 0.20544 hours remaining, 208.484375 MB of memory in use. ENERGY: 4755800 713.1957 2136.1667 1983.8546 119.8891 -205808.5563 17776.4049 0.0000 0.0000 34413.0411 -148666.0043 300.5376 -183079.0453 -148569.9745 301.0565 -106.5705 -73.1280 560794.1742 -5.9632 -5.8185 PRESSURE: 4756000 -59.8811 21.1764 74.5056 21.1762 -179.599 306.265 74.5052 306.265 -219.061 GPRESSURE: 4756000 -67.2269 -6.74857 31.2833 -8.58307 -114.846 152.974 118.876 245.884 -184.736 PRESSAVG: 4756000 52.6987 -35.4085 4.09484 -35.4085 -34.0905 5.08836 4.09489 5.08837 -60.812 GPRESSAVG: 4756000 52.2435 -33.6274 6.63711 -36.6332 -34.0812 6.32776 1.21854 4.50331 -60.4788 TIMING: 4756000 CPU: 14304, 0.00303753/step Wall: 14304, 0.00303753/step, 0.205877 hours remaining, 208.484375 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: 4756000 783.0688 2083.8094 1957.9203 118.7920 -206011.9144 17805.9850 0.0000 0.0000 34439.3635 -148822.9754 300.7675 -183262.3389 -148730.6952 300.7304 -152.8470 -122.2698 559191.8030 -14.0680 -14.1055 PRESSURE: 4756200 -153.281 27.4645 2.64755 27.4631 -180.051 -91.2743 2.6487 -91.2758 -385.535 GPRESSURE: 4756200 -87.1738 52.2855 -47.8977 34.0394 -168.802 -90.6083 42.1717 -89.2837 -361.669 PRESSAVG: 4756200 29.636 -4.10777 31.8054 -4.10793 -63.9127 6.54914 31.8054 6.5491 -10.8332 GPRESSAVG: 4756200 30.4322 -3.3637 30.7761 -3.24619 -64.6297 6.95699 35.1284 7.44401 -11.1334 TIMING: 4756200 CPU: 14304.6, 0.0030295/step Wall: 14304.6, 0.0030295/step, 0.205165 hours remaining, 208.484375 MB of memory in use. ENERGY: 4756200 731.8375 2088.1293 1935.0516 115.0088 -205477.6548 17380.8412 0.0000 0.0000 34204.6903 -149022.0961 298.7181 -183226.7864 -148932.3428 299.6662 -239.6222 -205.8816 558600.6637 -15.0366 -15.1103 LDB: ============= START OF LOAD BALANCING ============== 14308 LDB: ============== END OF LOAD BALANCING =============== 14308 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14308 LDB: ============= START OF LOAD BALANCING ============== 14308.3 LDB: Largest compute 4801 load 0.026693 is 22.6% of average load 0.118186 LDB: Average compute 0.001732 is 1.5% of average load 0.118186 LDB: TIME 14308.3 LOAD: AVG 0.118186 MAX 0.213278 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.004 MB LDB: TIME 14308.3 LOAD: AVG 0.118186 MAX 0.213278 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.008 MB LDB: TIME 14308.3 LOAD: AVG 0.118186 MAX 0.213278 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.008 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14308.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14308.3 PRESSURE: 4756400 -148.605 27.1383 150.781 27.1393 -64.7959 -63.9764 150.78 -63.9776 -33.4165 GPRESSURE: 4756400 -66.7065 45.22 126.672 28.2422 -60.4589 -55.7734 187.808 -31.2233 -17.7299 PRESSAVG: 4756400 44.6298 38.0896 -4.71977 38.0896 -0.629381 -19.2765 -4.71973 -19.2765 51.7006 GPRESSAVG: 4756400 44.8462 39.0617 -5.76559 38.9533 -0.318031 -18.3856 -6.9379 -19.9155 51.3411 TIMING: 4756400 CPU: 14305.2, 0.00308204/step Wall: 14305.2, 0.00308204/step, 0.208551 hours remaining, 208.285156 MB of memory in use. ENERGY: 4756400 737.8460 2101.2811 1922.6824 129.9297 -205711.4888 17500.8254 0.0000 0.0000 34252.5297 -149066.3945 299.1359 -183318.9242 -148972.8923 299.6099 -82.2725 -48.2984 557631.8103 31.9003 31.9564 PRESSURE: 4756600 -47.5271 -141.997 -20.3016 -141.997 167.05 -203.602 -20.3018 -203.602 -209.924 GPRESSURE: 4756600 37.5067 -165.269 76.8103 -102.53 149.597 -160.134 -13.3224 -187.496 -179.662 PRESSAVG: 4756600 -28.34 -30.5872 22.9729 -30.5873 7.90643 -30.0982 22.9729 -30.0982 -14.0397 GPRESSAVG: 4756600 -28.2202 -31.3805 24.9173 -31.1655 7.76597 -29.6925 22.3092 -30.2468 -13.884 TIMING: 4756600 CPU: 14305.8, 0.0030475/step Wall: 14305.8, 0.0030475/step, 0.206045 hours remaining, 208.488281 MB of memory in use. ENERGY: 4756600 767.7503 2069.9006 1945.8394 107.6463 -206179.8042 17914.3017 0.0000 0.0000 34244.4663 -149129.8996 299.0654 -183374.3659 -149034.2660 298.9742 -30.1336 2.4805 558349.2391 -11.4911 -11.4461 PRESSURE: 4756800 -123.832 -55.9349 -147.249 -55.9354 208.705 69.3989 -147.248 69.3989 -62.7417 GPRESSURE: 4756800 -75.0747 -71.9743 -237.174 -86.9101 220.665 145.037 -133.403 24.6336 -5.12701 PRESSAVG: 4756800 -9.54266 0.644162 -35.0672 0.644121 22.6789 -22.3852 -35.0672 -22.3852 -10.8845 GPRESSAVG: 4756800 -9.45853 -1.14026 -37.5376 -0.242284 23.1009 -23.4345 -34.6437 -22.8569 -11.3764 TIMING: 4756800 CPU: 14306.4, 0.00303435/step Wall: 14306.4, 0.00303435/step, 0.204987 hours remaining, 208.488281 MB of memory in use. ENERGY: 4756800 737.9643 2137.6832 1936.7953 116.3133 -205963.8754 17730.5186 0.0000 0.0000 34197.8563 -149106.7445 298.6584 -183304.6008 -149004.1169 299.5432 7.3772 46.8211 556546.0725 0.7506 0.7553 PRESSURE: 4757000 108.774 -20.9001 -10.4552 -20.9001 206.101 -158.78 -10.4557 -158.782 57.358 GPRESSURE: 4757000 170.083 -24.828 10.1812 -37.4559 221.25 -157.509 30.0078 -152.236 76.3942 PRESSAVG: 4757000 63.119 -29.665 -59.0859 -29.6651 -37.9571 -75.2964 -59.0859 -75.2965 -23.3157 GPRESSAVG: 4757000 63.6874 -29.375 -58.4178 -27.3746 -39.0812 -75.3605 -58.7325 -74.5245 -23.0183 TIMING: 4757000 CPU: 14307, 0.00304347/step Wall: 14307, 0.00304347/step, 0.205434 hours remaining, 208.488281 MB of memory in use. ENERGY: 4757000 762.1503 2074.4558 1939.0305 105.3615 -205944.5443 17714.7559 0.0000 0.0000 34243.7490 -149105.0412 299.0592 -183348.7903 -149011.3442 299.4646 124.0778 155.9089 555456.1939 0.6154 0.5293 PRESSURE: 4757200 222.873 110.595 22.6556 110.595 199.688 1.40744 22.6577 1.40766 117.702 GPRESSURE: 4757200 254.726 89.9751 99.5556 107.77 180.581 -74.0688 -62.3173 28.6416 196.467 PRESSAVG: 4757200 16.7425 -2.66924 6.67019 -2.66922 -24.6575 -9.29451 6.67023 -9.2946 -1.97452 GPRESSAVG: 4757200 16.4864 -2.21913 7.15379 -4.08157 -23.4766 -9.20924 7.81348 -10.5545 -2.31246 TIMING: 4757200 CPU: 14307.6, 0.00303828/step Wall: 14307.6, 0.00303828/step, 0.204915 hours remaining, 208.488281 MB of memory in use. ENERGY: 4757200 722.7714 2064.8703 1952.5244 108.5028 -206340.5847 17998.5413 0.0000 0.0000 34456.3629 -149037.0116 300.9160 -183493.3745 -148938.1632 299.0628 180.0878 210.5913 557014.2403 -3.2965 -3.1009 PRESSURE: 4757400 -141.112 11.3015 -109.312 11.3006 -643.025 18.2633 -109.313 18.264 -38.4307 GPRESSURE: 4757400 -106.946 -7.12977 -126.349 66.0608 -571.789 -13.4178 -77.0021 58.9995 -46.3989 PRESSAVG: 4757400 -26.0019 12.921 -27.8296 12.921 1.16548 -45.4968 -27.8296 -45.4968 18.8538 GPRESSAVG: 4757400 -25.6295 12.3084 -29.0938 13.3867 0.0455369 -47.5854 -26.7805 -42.6071 19.6999 TIMING: 4757400 CPU: 14308.2, 0.00303659/step Wall: 14308.2, 0.00303659/step, 0.204632 hours remaining, 208.488281 MB of memory in use. ENERGY: 4757400 755.1484 2055.4130 1958.1167 114.4182 -205597.8954 17388.3316 0.0000 0.0000 34178.6138 -149147.8536 298.4903 -183326.4674 -149055.2864 299.9070 -274.1894 -241.7110 557890.6401 -1.9942 -1.9613 PRESSURE: 4757600 -116.909 134.629 -18.4865 134.629 -195.253 50.2214 -18.4863 50.2217 -254.793 GPRESSURE: 4757600 -105.558 223.864 -32.1554 81.357 -217.315 63.3593 -4.66305 -8.45492 -162.847 PRESSAVG: 4757600 -19.1515 27.3005 -12.8615 27.3005 -76.8356 -48.2614 -12.8615 -48.2615 104.218 GPRESSAVG: 4757600 -19.8961 27.1587 -11.6938 26.9683 -75.7498 -43.9934 -15.9081 -50.6949 103.854 TIMING: 4757600 CPU: 14308.8, 0.00302481/step Wall: 14308.8, 0.00302481/step, 0.20367 hours remaining, 208.488281 MB of memory in use. ENERGY: 4757600 723.9614 2136.2010 1971.3356 116.3988 -205912.4619 17522.1875 0.0000 0.0000 34026.9735 -149415.4040 297.1660 -183442.3775 -149318.8720 299.1952 -188.9847 -161.9066 557720.5436 2.7438 2.7362 PRESSURE: 4757800 -241.807 -269.411 87.6689 -269.412 -255.431 14.4906 87.6673 14.4923 -201.009 GPRESSURE: 4757800 -219.627 -310.102 82.7667 -270.047 -151.718 72.2397 76.1175 30.3772 -219.024 PRESSAVG: 4757800 40.7301 -11.7021 -35.2196 -11.7022 -84.8999 4.8494 -35.2197 4.84941 8.77337 GPRESSAVG: 4757800 41.5779 -10.407 -37.9796 -10.4574 -85.2424 3.21834 -31.9436 5.29348 7.91422 TIMING: 4757800 CPU: 14309.4, 0.0030253/step Wall: 14309.4, 0.0030253/step, 0.203535 hours remaining, 208.488281 MB of memory in use. ENERGY: 4757800 764.4105 2116.0967 1931.6541 107.9303 -206060.5278 17555.7412 0.0000 0.0000 34180.5262 -149404.1688 298.5070 -183584.6950 -149306.2948 298.7310 -232.7491 -196.7898 558208.7758 -11.7988 -11.9168 PRESSURE: 4758000 -237.596 11.219 141.799 11.2189 -22.2073 -20.2562 141.8 -20.2555 49.0918 GPRESSURE: 4758000 -186.781 -37.6868 120.283 72.1055 -19.195 -2.39309 83.4715 -104.791 95.0191 PRESSAVG: 4758000 -30.3956 6.65483 8.08292 6.65481 -56.0374 -20.1958 8.08292 -20.1958 124.778 GPRESSAVG: 4758000 -30.8155 8.18245 8.68615 3.08486 -56.4775 -20.7727 5.71859 -20.4173 125.422 TIMING: 4758000 CPU: 14310, 0.00301539/step Wall: 14310, 0.00301539/step, 0.202701 hours remaining, 208.488281 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: 4758000 769.8212 2040.1605 1916.1357 115.6601 -205924.4115 17637.7147 0.0000 0.0000 33959.3162 -149485.6032 296.5752 -183444.9194 -149392.0025 298.2368 -70.2373 -36.9855 558832.5053 12.7817 12.7095 PRESSURE: 4758200 -68.4449 32.3784 -125.273 32.3777 -26.5604 -51.3489 -125.275 -51.3499 -29.4388 GPRESSURE: 4758200 -27.8756 14.1464 -154.729 32.4738 14.8229 -21.2667 -59.8198 -31.62 -22.936 PRESSAVG: 4758200 1.94725 -7.44895 71.6711 -7.4489 -56.1606 -10.9741 71.6711 -10.974 59.0175 GPRESSAVG: 4758200 2.12791 -6.5339 72.4111 -6.08537 -56.3019 -12.1774 73.261 -8.9335 59.2103 TIMING: 4758200 CPU: 14310.6, 0.0030511/step Wall: 14310.6, 0.00305109/step, 0.204932 hours remaining, 208.488281 MB of memory in use. ENERGY: 4758200 732.0984 2156.5639 1941.1362 94.9505 -206255.8013 17754.6845 0.0000 0.0000 34146.8981 -149429.4697 298.2134 -183576.3678 -149338.0003 298.6777 -41.4814 -11.9963 558437.8492 1.6014 1.6788 PRESSURE: 4758400 81.2693 15.187 138.206 15.1875 21.7376 6.65174 138.207 6.65126 219.513 GPRESSURE: 4758400 132.343 -17.3495 150.114 15.3431 18.7231 -20.7635 114.141 -16.134 251.916 PRESSAVG: 4758400 -7.5635 -0.847745 -36.6191 -0.847762 -22.0301 -15.4453 -36.6191 -15.4453 62.2487 GPRESSAVG: 4758400 -7.5037 -2.86027 -34.5462 -0.373026 -20.7284 -15.3908 -37.8645 -16.9243 60.7918 TIMING: 4758400 CPU: 14311.3, 0.00301695/step Wall: 14311.3, 0.00301695/step, 0.202471 hours remaining, 208.488281 MB of memory in use. ENERGY: 4758400 762.3504 2049.9566 1960.5360 114.0394 -206530.4641 17986.2686 0.0000 0.0000 34557.1104 -149100.2026 301.7958 -183657.3130 -148997.5922 299.6519 107.5067 134.3274 555734.0261 10.8850 10.8532 PRESSURE: 4758600 -227.556 89.3396 102.344 89.3391 -124.046 -4.91175 102.345 -4.91331 -410.449 GPRESSURE: 4758600 -170.666 121.815 82.3491 126.276 -116.543 31.4909 150.943 -28.423 -365.881 PRESSAVG: 4758600 -5.45848 2.19855 32.4264 2.19862 -9.1114 -7.68249 32.4264 -7.68257 20.5913 GPRESSAVG: 4758600 -5.78372 1.90047 31.5938 2.87751 -8.45688 -7.08964 32.6626 -7.37239 20.8104 TIMING: 4758600 CPU: 14311.9, 0.00300358/step Wall: 14311.9, 0.00300358/step, 0.201407 hours remaining, 208.488281 MB of memory in use. ENERGY: 4758600 755.1127 2159.7273 1936.3464 105.1941 -206087.4489 17546.9492 0.0000 0.0000 34286.4415 -149297.6778 299.4320 -183584.1193 -149190.5634 299.5825 -254.0171 -217.6967 557886.9951 2.0071 2.1899 PRESSURE: 4758800 71.0797 -35.7248 40.4449 -35.7234 -131.545 -14.318 40.4456 -14.3182 -294.747 GPRESSURE: 4758800 47.4747 -122.249 49.6837 10.6492 -31.6998 12.5348 41.7964 -81.0477 -274.894 PRESSAVG: 4758800 20.8026 -37.6922 25.9221 -37.6921 38.5635 -21.1245 25.9222 -21.1245 -41.4799 GPRESSAVG: 4758800 21.041 -40.4447 26.0712 -36.7631 36.895 -21.9187 24.6518 -21.1359 -39.9656 TIMING: 4758800 CPU: 14312.5, 0.00301679/step Wall: 14312.5, 0.00301679/step, 0.202125 hours remaining, 208.488281 MB of memory in use. ENERGY: 4758800 777.9373 2104.2831 1944.0220 114.6662 -206464.0584 17786.5872 0.0000 0.0000 34460.9473 -149275.6151 300.9560 -183736.5625 -149179.6727 299.1612 -118.4041 -86.3731 558056.3983 5.9621 5.9901 PRESSURE: 4759000 84.1397 -106.895 17.1797 -106.896 43.5066 -105.993 17.1794 -105.993 -151.691 GPRESSURE: 4759000 82.6856 -172.268 7.22 -69.6209 106.683 -37.0057 -8.99515 -177.367 -106.111 PRESSAVG: 4759000 -6.70925 5.43335 61.6152 5.43337 39.5609 -33.6334 61.6152 -33.6334 3.74321 GPRESSAVG: 4759000 -7.33799 8.77223 60.6285 3.37917 40.6262 -32.503 64.526 -34.3647 3.36753 TIMING: 4759000 CPU: 14313.1, 0.00301465/step Wall: 14313.1, 0.00301465/step, 0.201814 hours remaining, 208.488281 MB of memory in use. ENERGY: 4759000 778.1650 2135.2446 1972.4462 115.1144 -206092.4670 17863.6024 0.0000 0.0000 34017.1114 -149210.7831 297.0799 -183227.8945 -149111.0479 299.6168 -8.0150 27.7525 557165.9055 12.1983 12.2186 PRESSURE: 4759200 -175.537 76.985 18.5848 76.9852 -154.732 -68.2402 18.5847 -68.2394 -16.6652 GPRESSURE: 4759200 -166.715 83.5824 28.6191 92.6555 -132.33 -28.7209 -3.76277 -61.67 43.1616 PRESSAVG: 4759200 -71.2519 10.5484 -3.499 10.5485 15.7989 -45.4478 -3.49892 -45.4479 60.2123 GPRESSAVG: 4759200 -72.1906 9.60928 -3.35038 13.584 16.9275 -46.9985 -3.82767 -44.5325 59.8373 TIMING: 4759200 CPU: 14313.7, 0.00301344/step Wall: 14313.7, 0.00301344/step, 0.201566 hours remaining, 208.488281 MB of memory in use. ENERGY: 4759200 767.3759 2108.5132 1956.8738 106.9128 -206675.8911 17804.1327 0.0000 0.0000 34359.4631 -149572.6195 300.0697 -183932.0827 -149483.9301 298.8630 -115.6447 -85.2944 557603.7550 1.5865 1.5247 PRESSURE: 4759400 -301.9 50.3405 87.2975 50.3407 148.843 96.2507 87.2976 96.2508 58.5971 GPRESSURE: 4759400 -272.811 56.1194 120.274 74.6417 170.736 150.578 38.3554 55.4831 93.7615 PRESSAVG: 4759400 -87.0345 -0.212895 56.4211 -0.21282 82.7418 -76.4009 56.4211 -76.401 11.2153 GPRESSAVG: 4759400 -86.031 0.509424 57.3671 -2.07433 81.5663 -74.435 54.4345 -77.8073 11.0896 TIMING: 4759400 CPU: 14314.3, 0.00299654/step Wall: 14314.3, 0.00299654/step, 0.200269 hours remaining, 208.488281 MB of memory in use. ENERGY: 4759400 736.9879 2056.0468 1946.8813 107.6355 -206488.7343 17786.1403 0.0000 0.0000 34268.9314 -149586.1111 299.2791 -183855.0425 -149483.8352 299.0671 -31.4868 -2.7713 556074.1796 2.3075 2.2083 PRESSURE: 4759600 -76.7305 12.6771 174.59 12.6771 -35.2822 6.37578 174.591 6.37681 -137.636 GPRESSURE: 4759600 -9.70244 73.078 195.393 -17.1225 17.1241 -17.7788 29.4218 -82.0569 -148.636 PRESSAVG: 4759600 -57.3464 30.3064 2.46439 30.3064 84.2176 32.5329 2.46449 32.5329 57.8196 GPRESSAVG: 4759600 -58.1514 30.2844 3.21514 31.957 84.3609 31.3138 3.01816 33.0669 58.1334 TIMING: 4759600 CPU: 14314.9, 0.00302384/step Wall: 14314.9, 0.00302384/step, 0.201925 hours remaining, 208.488281 MB of memory in use. ENERGY: 4759600 778.2557 2057.3598 1949.1602 99.9085 -206437.5989 17848.5943 0.0000 0.0000 34155.4520 -149548.8683 298.2881 -183704.3203 -149459.5154 298.5413 -83.2163 -47.0714 556357.9417 28.2303 28.1143 PRESSURE: 4759800 -291.542 27.8855 -169.059 27.8847 -96.4437 -48.6537 -169.06 -48.654 -395.452 GPRESSURE: 4759800 -234.156 23.1597 -202.193 44.7677 -82.77 -182.69 -116.36 -52.8747 -372.361 PRESSAVG: 4759800 -46.4465 -36.8304 23.0456 -36.8304 11.7096 4.16087 23.0456 4.16094 4.54276 GPRESSAVG: 4759800 -47.0296 -37.0174 21.3958 -39.4537 10.979 4.0133 23.1019 3.25472 5.04064 TIMING: 4759800 CPU: 14315.5, 0.00303875/step Wall: 14315.5, 0.00303875/step, 0.202752 hours remaining, 208.488281 MB of memory in use. ENERGY: 4759800 747.7444 2068.3825 1949.5093 116.6770 -206226.7161 17624.0600 0.0000 0.0000 34244.7661 -149475.5768 299.0681 -183720.3429 -149385.1656 298.0776 -261.1459 -229.7624 557555.0276 -10.0647 -10.3366 PRESSURE: 4760000 215.656 156.938 75.8568 156.938 48.6879 92.9435 75.8569 92.9449 -102.038 GPRESSURE: 4760000 191.202 191.704 50.5362 135.584 146.389 200.336 27.876 54.313 -79.7921 PRESSAVG: 4760000 -9.85484 20.7494 -4.80558 20.7494 41.6596 -16.2906 -4.80554 -16.2906 -58.636 GPRESSAVG: 4760000 -9.57926 19.7764 -3.17571 22.6016 42.3239 -15.7416 -5.42513 -15.3334 -59.5159 TIMING: 4760000 CPU: 14316.1, 0.00303768/step Wall: 14316.1, 0.00303768/step, 0.202512 hours remaining, 208.488281 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: 4760000 746.8336 2017.3662 1949.4252 126.1827 -206537.4454 17855.3137 0.0000 0.0000 34262.8353 -149579.4887 299.2259 -183842.3240 -149480.7967 298.1091 54.1020 85.9328 556310.3970 -8.9437 -8.9237 PRESSURE: 4760200 65.1997 -67.9473 61.875 -67.9477 -106.952 -167.652 61.875 -167.651 13.5779 GPRESSURE: 4760200 77.7195 -39.5431 19.7956 10.2958 -62.1173 -163.241 126.634 -159.329 43.5554 PRESSAVG: 4760200 10.1488 15.5606 43.1066 15.5607 71.1538 -25.7964 43.1066 -25.7964 -91.5897 GPRESSAVG: 4760200 10.0793 16.405 40.8586 15.0748 71.234 -24.5124 43.9058 -24.3095 -91.5958 TIMING: 4760200 CPU: 14316.7, 0.00303594/step Wall: 14316.7, 0.00303594/step, 0.202227 hours remaining, 208.488281 MB of memory in use. ENERGY: 4760200 703.0840 2113.9839 1958.1905 106.1883 -206171.6619 17689.1649 0.0000 0.0000 34102.5158 -149498.5345 297.8258 -183601.0503 -149395.0624 298.8391 -9.3914 19.7192 558312.5394 -3.4290 -3.4275 LDB: ============= START OF LOAD BALANCING ============== 14320.1 LDB: ============== END OF LOAD BALANCING =============== 14320.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14320.1 LDB: ============= START OF LOAD BALANCING ============== 14320.4 LDB: Largest compute 4801 load 0.027286 is 23.1% of average load 0.118162 LDB: Average compute 0.001734 is 1.5% of average load 0.118162 LDB: TIME 14320.4 LOAD: AVG 0.118162 MAX 0.211473 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.57 MB LDB: TIME 14320.4 LOAD: AVG 0.118162 MAX 0.211473 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.77 MB LDB: TIME 14320.4 LOAD: AVG 0.118162 MAX 0.211473 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.77 MB LDB: ============== END OF LOAD BALANCING =============== 14320.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14320.4 PRESSURE: 4760400 -173.09 82.6451 -117.409 82.6455 -66.8205 97.0961 -117.409 97.0953 -194.479 GPRESSURE: 4760400 -139.402 122.824 -159.354 58.0523 -44.1941 146.891 -58.345 21.619 -139.485 PRESSAVG: 4760400 -17.1994 -20.4316 58.1955 -20.4316 16.0409 -54.911 58.1954 -54.911 9.27762 GPRESSAVG: 4760400 -17.0177 -19.3718 59.8378 -22.8929 15.6525 -57.2512 57.2176 -52.9728 9.79419 TIMING: 4760400 CPU: 14317.3, 0.00305621/step Wall: 14317.3, 0.00305621/step, 0.203408 hours remaining, 207.511719 MB of memory in use. ENERGY: 4760400 765.3237 2109.9645 1940.3196 127.9965 -206138.1297 17760.7858 0.0000 0.0000 34045.2143 -149388.5252 297.3253 -183433.7396 -149290.8316 298.6938 -144.7962 -107.6936 559001.8471 2.7064 2.8096 PRESSURE: 4760600 104.675 169.373 82.9732 169.373 163.552 -72.1944 82.9713 -72.1943 -32.1101 GPRESSURE: 4760600 157.597 220.776 -73.6707 80.4436 154.327 -108.632 50.2548 2.07703 13.4892 PRESSAVG: 4760600 -20.2841 53.5201 18.656 53.5201 -9.25478 -2.21158 18.6559 -2.21156 6.62547 GPRESSAVG: 4760600 -21.3979 52.6789 17.2755 55.3064 -8.63022 -2.10581 19.8365 -3.42205 7.0299 TIMING: 4760600 CPU: 14317.9, 0.00302514/step Wall: 14317.9, 0.00302514/step, 0.201172 hours remaining, 207.511719 MB of memory in use. ENERGY: 4760600 763.2872 2023.2124 1959.7622 111.6816 -206722.6018 18280.8924 0.0000 0.0000 34108.8001 -149474.9660 297.8806 -183583.7661 -149384.1049 298.5033 78.7057 108.4709 558644.5118 -7.6378 -7.6661 PRESSURE: 4760800 -238.282 -125.771 82.3097 -125.771 102.663 -83.019 82.3077 -83.0193 94.7316 GPRESSURE: 4760800 -160.436 -105.612 48.5351 -110.576 135.488 -45.9506 67.9469 -73.3981 81.0197 PRESSAVG: 4760800 28.3402 -55.6129 32.9206 -55.613 27.7739 -57.2395 32.9206 -57.2394 -16.147 GPRESSAVG: 4760800 29.1443 -54.8237 33.6481 -55.7021 27.1776 -54.7353 33.2423 -58.1475 -16.8936 TIMING: 4760800 CPU: 14318.5, 0.00302394/step Wall: 14318.5, 0.00302394/step, 0.200924 hours remaining, 207.511719 MB of memory in use. ENERGY: 4760800 719.6983 2085.1711 1944.3482 101.2208 -206382.4146 17836.2494 0.0000 0.0000 34291.1909 -149404.5359 299.4735 -183695.7269 -149307.4415 298.4188 -13.6293 18.6905 559177.5312 13.3223 13.1427 PRESSURE: 4761000 -99.7202 -107.494 -115.79 -107.495 -149.658 -48.2227 -115.789 -48.2225 -197.505 GPRESSURE: 4761000 -73.3284 -42.641 -185.291 -122.338 -114.954 16.7407 11.9541 -77.7969 -159.576 PRESSAVG: 4761000 -27.5191 63.4993 -50.7426 63.4992 30.7432 -29.4914 -50.7426 -29.4914 -24.4285 GPRESSAVG: 4761000 -28.3247 61.9377 -50.8264 63.3275 31.3369 -31.2894 -51.7627 -28.7087 -24.411 TIMING: 4761000 CPU: 14319.1, 0.00305649/step Wall: 14319.1, 0.00305649/step, 0.202917 hours remaining, 207.511719 MB of memory in use. ENERGY: 4761000 745.5473 2145.6455 1936.2241 112.9126 -206019.3933 17622.1509 0.0000 0.0000 34373.2939 -149083.6189 300.1905 -183456.9128 -148980.6881 299.0662 -148.9611 -115.9527 559341.2724 -7.0681 -7.1329 PRESSURE: 4761200 15.26 -36.4443 -5.62902 -36.4434 -111.545 -247.304 -5.62846 -247.304 -55.3258 GPRESSURE: 4761200 83.1691 15.9722 29.6765 -36.551 -76.4847 -158.657 -22.3325 -332.161 -53.2276 PRESSAVG: 4761200 -19.9149 -29.0451 -32.679 -29.0449 -4.41516 -5.75235 -32.679 -5.75229 34.5534 GPRESSAVG: 4761200 -19.0886 -27.1555 -33.0558 -29.7558 -5.15984 -2.32598 -33.3692 -8.69737 34.5601 TIMING: 4761200 CPU: 14319.7, 0.00302404/step Wall: 14319.7, 0.00302404/step, 0.200595 hours remaining, 207.511719 MB of memory in use. ENERGY: 4761200 732.3622 2124.1329 1950.9674 125.5229 -205823.3847 17601.2601 0.0000 0.0000 34300.2513 -148988.8878 299.5526 -183289.1391 -148898.9047 299.6718 -50.5368 -15.5144 557762.6558 3.4078 3.4372 PRESSURE: 4761400 -24.6701 37.8282 35.7865 37.8266 33.1374 -82.4979 35.7852 -82.4959 75.1881 GPRESSURE: 4761400 29.4178 34.8374 83.3093 55.2645 19.1883 -129.17 -29.307 -22.3288 125.811 PRESSAVG: 4761400 -42.3571 15.8533 88.2951 15.8533 17.7916 4.43727 88.2951 4.4374 25.1742 GPRESSAVG: 4761400 -41.557 15.2867 89.3806 17.2649 16.9328 1.01615 88.0943 6.0555 25.3141 TIMING: 4761400 CPU: 14320.3, 0.003037/step Wall: 14320.3, 0.003037/step, 0.201286 hours remaining, 207.511719 MB of memory in use. ENERGY: 4761400 729.8934 2172.7973 1944.6340 111.7274 -206104.0977 17821.5888 0.0000 0.0000 34282.6289 -149040.8279 299.3987 -183323.4568 -148940.7763 299.6515 27.8851 58.1389 558047.1600 0.2029 0.2299 PRESSURE: 4761600 170.582 78.7116 75.7164 78.7129 80.0381 121.862 75.7146 121.862 68.3306 GPRESSURE: 4761600 163.354 15.6881 81.7421 42.6038 75.1227 215.774 58.5192 78.1298 175.436 PRESSAVG: 4761600 11.4298 60.3919 23.1301 60.3919 -17.2473 65.8911 23.1301 65.8912 -16.9446 GPRESSAVG: 4761600 10.7212 60.4049 22.543 59.4687 -16.888 65.4515 25.0858 65.6458 -16.9323 TIMING: 4761600 CPU: 14320.9, 0.0030482/step Wall: 14320.9, 0.0030482/step, 0.201859 hours remaining, 207.511719 MB of memory in use. ENERGY: 4761600 714.1092 2135.5385 1954.0127 134.3179 -205960.5325 17788.9317 0.0000 0.0000 34503.3063 -148730.3160 301.3260 -183233.6224 -148634.3747 300.1085 106.3168 137.9710 558205.6940 -7.5874 -7.6997 PRESSURE: 4761800 -262.083 -84.8074 -56.929 -84.8082 63.4336 -107.837 -56.9301 -107.837 -309.354 GPRESSURE: 4761800 -212.314 41.0297 -73.8611 -179.967 76.784 -139.57 -67.0549 -74.5136 -279.397 PRESSAVG: 4761800 -33.1544 29.3766 -5.02639 29.3766 -14.4108 -19.4744 -5.02643 -19.4745 -8.73432 GPRESSAVG: 4761800 -33.4213 30.2087 -4.27396 28.107 -13.2582 -19.0917 -5.60744 -20.2533 -9.68123 TIMING: 4761800 CPU: 14321.6, 0.00305753/step Wall: 14321.6, 0.00305753/step, 0.202307 hours remaining, 207.511719 MB of memory in use. ENERGY: 4761800 744.8363 2078.6543 1954.3798 119.6235 -205701.3862 17529.8787 0.0000 0.0000 34406.8485 -148867.1651 300.4836 -183274.0136 -148771.0242 300.5734 -169.3345 -138.3089 558198.0966 -18.7665 -18.7869 PRESSURE: 4762000 125.467 -96.2926 83.181 -96.2935 -304.652 -215.47 83.181 -215.471 -238.593 GPRESSURE: 4762000 112.933 -0.52187 152.346 -158.325 -247.989 -218.046 101.206 -176.516 -182.219 PRESSAVG: 4762000 43.8377 0.526444 11.145 0.526432 -6.00272 -24.8951 11.145 -24.8951 -58.7047 GPRESSAVG: 4762000 44.1849 0.845726 11.6374 -0.369877 -6.77121 -24.8139 10.6776 -25.0481 -58.2015 TIMING: 4762000 CPU: 14322.2, 0.00305039/step Wall: 14322.2, 0.00305039/step, 0.201665 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: 4762000 804.3739 2090.6688 1956.4575 106.5856 -205745.7994 17588.0617 0.0000 0.0000 34314.1611 -148885.4908 299.6741 -183199.6519 -148787.4248 299.9129 -139.2592 -105.7583 558382.5300 -6.9566 -6.9293 PRESSURE: 4762200 -22.76 81.8859 -78.0989 81.885 13.4626 -35.9077 -78.1001 -35.9067 119.151 GPRESSURE: 4762200 46.0337 65.8409 -208.414 43.7283 79.1803 -58.5014 -94.7138 -124.306 84.0296 PRESSAVG: 4762200 39.8582 -28.5956 -6.55933 -28.5955 29.3394 2.56316 -6.5594 2.56326 -23.6433 GPRESSAVG: 4762200 41.1625 -29.0179 -9.74073 -24.8868 29.0004 4.05421 -6.39205 2.54588 -24.7843 TIMING: 4762200 CPU: 14322.8, 0.00303292/step Wall: 14322.8, 0.00303292/step, 0.200341 hours remaining, 207.511719 MB of memory in use. ENERGY: 4762200 733.6748 2128.1182 1947.5099 117.2876 -206223.6110 17868.7003 0.0000 0.0000 34404.0070 -149024.3132 300.4588 -183428.3202 -148920.6837 300.5893 36.6178 69.7479 558176.9696 15.1848 15.1262 PRESSURE: 4762400 -388.89 -76.4441 131.979 -76.4453 -96.0201 17.6185 131.978 17.6177 -189.272 GPRESSURE: 4762400 -314.976 -114.84 92.7025 -72.8137 -100.247 27.166 166.164 53.0981 -170.81 PRESSAVG: 4762400 11.7131 -45.2375 -7.83391 -45.2375 0.478322 0.595153 -7.83386 0.595202 31.904 GPRESSAVG: 4762400 9.88899 -43.8715 -7.49793 -45.3912 1.78782 -0.867289 -7.73206 2.22597 32.525 TIMING: 4762400 CPU: 14323.4, 0.00303157/step Wall: 14323.4, 0.00303156/step, 0.200083 hours remaining, 207.808594 MB of memory in use. ENERGY: 4762400 736.2635 2058.3331 1962.3278 107.9273 -205560.2846 17510.1153 0.0000 0.0000 34178.3569 -149006.9608 298.4881 -183185.3177 -148901.7073 299.6732 -224.7274 -195.3445 558486.5682 14.6985 14.7339 PRESSURE: 4762600 -85.8382 41.665 150.877 41.6656 52.0323 -21.2569 150.877 -21.2583 -25.1371 GPRESSURE: 4762600 -1.60697 -42.3436 324.44 6.38053 42.7032 -53.5328 70.5392 -17.4284 0.39646 PRESSAVG: 4762600 31.5837 -7.17011 12.932 -7.17012 65.1728 47.9542 12.932 47.9543 -101.28 GPRESSAVG: 4762600 32.6152 -10.0764 16.3046 -7.84769 65.0286 46.2848 13.8218 47.2671 -102.044 TIMING: 4762600 CPU: 14324, 0.00304236/step Wall: 14324, 0.00304236/step, 0.200627 hours remaining, 207.808594 MB of memory in use. ENERGY: 4762600 760.1994 2097.6309 1967.5528 105.2244 -206492.3955 18035.3262 0.0000 0.0000 34320.0446 -149206.4172 299.7255 -183526.4617 -149100.7632 299.4298 -19.6477 13.8309 558048.6732 -1.5079 -1.4667 PRESSURE: 4762800 -88.5182 46.9884 137.715 46.9893 83.2296 18.9033 137.714 18.901 151.44 GPRESSURE: 4762800 -28.6331 -7.61329 174.505 7.67852 81.0285 39.2363 215.471 -0.614485 180.641 PRESSAVG: 4762800 54.3473 22.7944 66.8737 22.7944 75.3256 -20.4277 66.8737 -20.4278 -107.585 GPRESSAVG: 4762800 54.42 21.796 66.3864 23.5233 74.6993 -17.0539 65.2013 -20.3667 -107.498 TIMING: 4762800 CPU: 14324.6, 0.00302342/step Wall: 14324.6, 0.00302342/step, 0.19921 hours remaining, 207.808594 MB of memory in use. ENERGY: 4762800 710.0578 2100.1620 1939.4168 111.1035 -205751.7485 17660.0721 0.0000 0.0000 34157.8794 -149073.0569 298.3093 -183230.9363 -148979.5661 298.9722 48.7171 77.6787 557258.7682 7.3626 7.2072 PRESSURE: 4763000 11.0647 -16.865 74.3418 -16.8639 -55.8732 -43.6391 74.3412 -43.638 -78.4522 GPRESSURE: 4763000 34.5298 -13.3622 26.7255 75.4908 26.502 -102.903 55.8074 -101.015 -84.1899 PRESSAVG: 4763000 -16.5149 -18.3014 25.7585 -18.3014 -5.30797 -28.8413 25.7585 -28.8414 40.1625 GPRESSAVG: 4763000 -16.5613 -16.5592 24.777 -18.9853 -4.82427 -30.0887 26.8143 -30.6266 40.0122 TIMING: 4763000 CPU: 14325.2, 0.00302162/step Wall: 14325.2, 0.00302162/step, 0.198924 hours remaining, 207.808594 MB of memory in use. ENERGY: 4763000 768.3493 2126.3690 1941.5385 114.9496 -206106.3350 17677.7453 0.0000 0.0000 34566.9376 -148910.4458 301.8817 -183477.3833 -148809.9392 300.6648 -41.0869 -7.7194 556202.5433 6.1132 6.2089 PRESSURE: 4763200 74.9769 -58.659 -37.2592 -58.6586 12.1165 56.6417 -37.2581 56.6436 3.77636 GPRESSURE: 4763200 116.214 -7.96237 -11.168 -82.3608 72.6311 25.9558 -16.5877 96.7097 0.663836 PRESSAVG: 4763200 28.2336 29.3727 4.71454 29.3726 12.0368 54.5519 4.71449 54.5518 -27.5162 GPRESSAVG: 4763200 29.0591 29.9388 5.00625 28.9068 10.5521 53.3851 3.8355 57.8286 -26.5634 TIMING: 4763200 CPU: 14325.8, 0.00301177/step Wall: 14325.8, 0.00301177/step, 0.198108 hours remaining, 207.808594 MB of memory in use. ENERGY: 4763200 778.4642 2082.9272 1945.8033 103.0269 -206550.6596 18092.8368 0.0000 0.0000 34321.0960 -149226.5050 299.7347 -183547.6010 -149126.2312 299.9588 30.2899 63.1696 557270.0334 4.2514 4.3492 PRESSURE: 4763400 -210.239 24.8996 16.199 24.9006 -328.788 -46.295 16.1989 -46.2944 -113.95 GPRESSURE: 4763400 -149.778 33.0785 26.9422 62.1937 -280.133 46.7989 -48.4577 -34.9735 -135.296 PRESSAVG: 4763400 33.6568 8.52538 -21.2658 8.5253 -8.09247 24.5878 -21.2658 24.5878 -3.4724 GPRESSAVG: 4763400 32.2456 8.08831 -20.9985 9.73384 -7.0852 26.4392 -20.5996 23.7029 -2.24421 TIMING: 4763400 CPU: 14326.4, 0.00301013/step Wall: 14326.4, 0.00301013/step, 0.197832 hours remaining, 207.808594 MB of memory in use. ENERGY: 4763400 731.1428 2099.7889 1960.9902 115.3238 -205979.0618 17504.5741 0.0000 0.0000 34273.0392 -149294.2029 299.3150 -183567.2421 -149193.6257 299.7900 -217.6588 -188.4024 557405.3882 7.3640 7.6387 PRESSURE: 4763600 -88.4841 -164.089 26.1663 -164.089 120.745 10.5002 26.1645 10.5005 -154.985 GPRESSURE: 4763600 -22.1666 -76.944 29.8018 -135.823 98.2485 -20.0721 -39.4531 -37.754 -120.436 PRESSAVG: 4763600 2.55904 3.43778 -12.3973 3.43778 -27.8512 -22.767 -12.3972 -22.7669 -4.68546 GPRESSAVG: 4763600 3.71568 2.46056 -13.6319 3.81581 -27.6559 -22.8083 -11.5648 -25.4312 -5.75616 TIMING: 4763600 CPU: 14327, 0.00303827/step Wall: 14327, 0.00303827/step, 0.199513 hours remaining, 207.808594 MB of memory in use. ENERGY: 4763600 781.4118 2139.3115 1950.0212 116.7167 -206404.1830 17763.6376 0.0000 0.0000 34145.8366 -149507.2476 298.2041 -183653.0842 -149414.5340 299.1271 -40.9079 -14.7847 556308.2814 -9.9925 -9.8988 PRESSURE: 4763800 -3.95663 -5.0219 -107.108 -5.02337 -62.6893 -30.7582 -107.108 -30.7571 -114.872 GPRESSURE: 4763800 45.8095 18.2736 -73.8511 -29.3089 -33.8852 -40.0648 -25.9433 -23.3206 -97.601 PRESSAVG: 4763800 11.0434 -9.91742 -38.5329 -9.91744 -29.8153 17.0273 -38.5329 17.0272 24.3328 GPRESSAVG: 4763800 11.4068 -11.4992 -38.6943 -9.02841 -29.2382 15.3565 -38.0859 18.6249 23.9004 TIMING: 4763800 CPU: 14327.6, 0.00303207/step Wall: 14327.6, 0.00303207/step, 0.198938 hours remaining, 207.808594 MB of memory in use. ENERGY: 4763800 708.8287 2136.4638 1949.3122 114.1604 -206200.0599 17601.8274 0.0000 0.0000 34237.7185 -149451.7488 299.0065 -183689.4674 -149349.2153 298.8795 -60.5061 -28.5589 556654.0418 1.8536 2.0230 PRESSURE: 4764000 -54.696 -46.3032 -47.5366 -46.3034 -83.107 256.133 -47.5368 256.133 -23.0382 GPRESSURE: 4764000 -32.2436 -120.101 6.44395 47.7003 -87.2316 216.503 -54.951 297.025 50.1778 PRESSAVG: 4764000 -10.5943 12.5268 -27.3903 12.5268 -10.2651 65.8886 -27.3903 65.8887 42.0331 GPRESSAVG: 4764000 -11.6503 14.4663 -26.1077 13.4176 -10.0028 67.8804 -28.9173 66.0931 42.4786 TIMING: 4764000 CPU: 14328.2, 0.00303163/step Wall: 14328.2, 0.00303163/step, 0.19874 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: 4764000 764.9210 2113.0016 1954.7712 118.9483 -206255.3468 17666.6045 0.0000 0.0000 34122.2548 -149514.8453 297.9981 -183637.1001 -149423.1075 298.4414 -53.6137 -23.0991 556966.7841 7.0579 6.9418 PRESSURE: 4764200 155.098 -39.6609 200.715 -39.6602 -205.331 -17.9915 200.714 -17.9916 -4.71901 GPRESSURE: 4764200 115.622 -37.5989 148.266 -11.4689 -122.232 53.9586 177.32 -85.9167 54.5579 PRESSAVG: 4764200 8.44888 25.9502 32.9992 25.9501 -20.1809 55.8179 32.9994 55.8179 -10.6031 GPRESSAVG: 4764200 7.9977 25.1614 32.9131 24.6936 -19.0488 54.1396 33.7915 58.7552 -10.7624 TIMING: 4764200 CPU: 14328.8, 0.00303412/step Wall: 14328.8, 0.00303412/step, 0.198735 hours remaining, 207.808594 MB of memory in use. ENERGY: 4764200 782.8537 2089.2038 1956.1223 125.0029 -206575.2355 17880.1664 0.0000 0.0000 34171.4881 -149570.3983 298.4281 -183741.8864 -149473.2195 297.4533 -18.3172 15.9824 556976.0159 -7.4450 -7.2712 LDB: ============= START OF LOAD BALANCING ============== 14332.3 LDB: ============== END OF LOAD BALANCING =============== 14332.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14332.3 LDB: ============= START OF LOAD BALANCING ============== 14332.6 LDB: Largest compute 4820 load 0.028858 is 24.4% of average load 0.118139 LDB: Average compute 0.001732 is 1.5% of average load 0.118139 LDB: TIME 14332.6 LOAD: AVG 0.118139 MAX 0.213719 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.832 MB LDB: TIME 14332.6 LOAD: AVG 0.118139 MAX 0.213719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.832 MB LDB: TIME 14332.6 LOAD: AVG 0.118139 MAX 0.213719 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.832 MB LDB: ============== END OF LOAD BALANCING =============== 14332.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14332.6 PRESSURE: 4764400 13.7799 28.8899 42.7588 28.8908 -176.413 104.739 42.7588 104.739 -332.705 GPRESSURE: 4764400 82.5122 17.5075 38.286 96.8219 -158.591 17.6227 -16.5503 94.7955 -315.126 PRESSAVG: 4764400 74.0231 17.59 27.1424 17.59 -27.7689 10.1285 27.1424 10.1284 -86.4069 GPRESSAVG: 4764400 75.374 20.2989 26.374 15.5641 -29.6832 12.0935 27.3424 8.7696 -86.2755 TIMING: 4764400 CPU: 14329.4, 0.00311107/step Wall: 14329.4, 0.00311107/step, 0.203603 hours remaining, 207.730469 MB of memory in use. ENERGY: 4764400 751.3589 2069.0665 1936.4383 112.1156 -206051.3200 17636.9472 0.0000 0.0000 34083.4756 -149461.9180 297.6595 -183545.3936 -149370.7902 298.0376 -165.1127 -130.4015 557731.5878 -13.3842 -13.5282 PRESSURE: 4764600 181.329 -39.1727 -20.7399 -39.1727 -59.0651 144.703 -20.7408 144.702 -226.632 GPRESSURE: 4764600 189.327 -135.477 -150.708 -76.5821 -62.1584 70.4621 22.4204 165.54 -140.293 PRESSAVG: 4764600 80.3269 -64.6305 17.5225 -64.6306 36.8801 28.1206 17.5226 28.1206 -91.6935 GPRESSAVG: 4764600 77.9387 -65.579 17.8918 -64.4467 37.873 28.0395 16.7613 25.7765 -90.72 TIMING: 4764600 CPU: 14330.1, 0.00304215/step Wall: 14330.1, 0.00304215/step, 0.198923 hours remaining, 207.730469 MB of memory in use. ENERGY: 4764600 730.2237 2059.3143 1946.0380 129.7604 -206240.2456 17838.6964 0.0000 0.0000 34182.0007 -149354.2121 298.5199 -183536.2128 -149253.4276 298.1274 -34.7894 -4.3747 558275.8759 8.5045 8.3639 PRESSURE: 4764800 28.8854 87.2355 39.6561 87.2358 -200.559 206.127 39.6571 206.127 -63.9783 GPRESSURE: 4764800 64.2296 61.5944 2.38898 84.7731 -135.89 253.912 57.3806 131.104 -67.0665 PRESSAVG: 4764800 64.5694 -13.6157 -11.2858 -13.6157 5.81187 41.4039 -11.2858 41.4039 -72.2103 GPRESSAVG: 4764800 66.103 -15.3873 -10.6978 -11.4398 5.78095 41.6876 -11.1998 43.7648 -73.4608 TIMING: 4764800 CPU: 14330.7, 0.00302438/step Wall: 14330.7, 0.00302438/step, 0.197593 hours remaining, 207.730469 MB of memory in use. ENERGY: 4764800 760.7203 2075.5547 1957.9966 103.8333 -206191.0119 17729.6582 0.0000 0.0000 34186.8054 -149376.4434 298.5619 -183563.2488 -149279.6395 298.5678 -78.5505 -46.2423 558624.8256 -0.6097 -0.5256 PRESSURE: 4765000 -3.85841 86.8734 -128.769 86.874 23.2359 -84.4042 -128.769 -84.4031 -73.9741 GPRESSURE: 4765000 9.07228 22.4037 -143.802 99.3538 65.0191 -94.3351 -149.661 -123.446 -32.7708 PRESSAVG: 4765000 11.6701 12.1402 5.53102 12.1401 -3.06368 26.7254 5.53096 26.7254 29.8353 GPRESSAVG: 4765000 11.7206 12.874 6.11769 11.6359 -3.63114 24.6524 4.00074 27.0509 30.6405 TIMING: 4765000 CPU: 14331.3, 0.00303373/step Wall: 14331.3, 0.00303373/step, 0.198035 hours remaining, 207.730469 MB of memory in use. ENERGY: 4765000 728.6188 2100.8293 1953.5424 98.1129 -206175.0449 17834.3353 0.0000 0.0000 34138.6282 -149320.9779 298.1411 -183459.6061 -149224.2425 299.2512 -18.1989 13.7735 557469.7274 12.8139 12.9100 PRESSURE: 4765200 20.6083 67.3347 98.581 67.3347 -52.8674 27.6335 98.5809 27.6329 152.653 GPRESSURE: 4765200 12.7275 0.915417 60.2275 60.9233 44.3127 -41.7077 115.97 82.4735 157.167 PRESSAVG: 4765200 14.5197 28.6508 -21.5961 28.6508 -16.7525 -5.68948 -21.5961 -5.68956 -49.6654 GPRESSAVG: 4765200 14.1106 29.4306 -22.2096 28.0525 -16.3291 -5.44303 -20.7148 -7.14096 -49.1943 TIMING: 4765200 CPU: 14331.9, 0.00303195/step Wall: 14331.9, 0.00303195/step, 0.197751 hours remaining, 207.730469 MB of memory in use. ENERGY: 4765200 758.0408 2108.3287 1935.5093 120.0462 -206474.6142 17945.0885 0.0000 0.0000 34202.7120 -149404.8887 298.7008 -183607.6008 -149303.8176 299.1515 40.1312 71.4023 556313.5626 -17.2994 -17.1376 PRESSURE: 4765400 96.9217 28.8174 -3.89026 28.8181 -133.651 -39.6615 -3.88981 -39.6623 -259.801 GPRESSURE: 4765400 116.424 -56.9525 -112.397 108.121 -158.739 -27.9147 5.201 -117.859 -160.26 PRESSAVG: 4765400 -1.54194 23.2197 -8.2471 23.2198 -27.5285 -56.8034 -8.24707 -56.8034 38.8296 GPRESSAVG: 4765400 -1.00775 21.3533 -10.0676 25.0803 -27.5479 -54.4385 -7.92132 -57.9765 38.3097 TIMING: 4765400 CPU: 14332.5, 0.00303531/step Wall: 14332.5, 0.00303531/step, 0.197801 hours remaining, 207.730469 MB of memory in use. ENERGY: 4765400 763.3809 2095.0983 1946.9035 118.3628 -206454.4425 17739.0927 0.0000 0.0000 34210.2529 -149581.3514 298.7666 -183791.6042 -149487.9747 298.3757 -98.8435 -67.5251 555563.9096 3.2531 3.2513 PRESSURE: 4765600 -102.04 -28.4053 -156.781 -28.405 107.452 -155.605 -156.781 -155.605 41.5021 GPRESSURE: 4765600 -77.7777 -101.349 -145.252 -52.3292 122.785 -57.6626 -156.984 -107.356 99.2938 PRESSAVG: 4765600 32.1012 17.5743 -45.9096 17.5743 -22.7692 -43.6549 -45.9096 -43.6549 -31.1166 GPRESSAVG: 4765600 32.6795 18.9948 -44.9638 15.7429 -23.5686 -45.9064 -46.4875 -41.4477 -30.7029 TIMING: 4765600 CPU: 14333.1, 0.00301487/step Wall: 14333.1, 0.00301487/step, 0.196302 hours remaining, 207.730469 MB of memory in use. ENERGY: 4765600 735.8929 2089.6893 1945.8908 121.0118 -206652.3233 17938.8362 0.0000 0.0000 34317.4624 -149503.5399 299.7029 -183821.0023 -149407.4096 298.8022 15.6382 48.1003 555685.6722 -7.2615 -7.1973 PRESSURE: 4765800 39.6694 34.1114 -20.52 34.1118 -355.19 -256.224 -20.5209 -256.224 -102.338 GPRESSURE: 4765800 64.4528 37.4349 -55.5258 -33.3343 -295.221 -300.214 -33.9731 -140.905 -85.3506 PRESSAVG: 4765800 0.296317 10.7163 -19.1141 10.7162 -47.089 -35.7233 -19.1141 -35.7232 2.51425 GPRESSAVG: 4765800 -0.674076 10.149 -18.4141 11.2136 -46.0553 -36.1108 -18.7361 -36.2011 2.41676 TIMING: 4765800 CPU: 14333.7, 0.00301582/step Wall: 14333.7, 0.00301582/step, 0.196196 hours remaining, 207.730469 MB of memory in use. ENERGY: 4765800 741.7058 2124.0166 1946.7787 121.0459 -206192.1264 17608.7946 0.0000 0.0000 34361.0957 -149288.6891 300.0840 -183649.7848 -149186.6435 299.1400 -139.2862 -105.3729 557032.4053 -14.7595 -14.7709 PRESSURE: 4766000 -71.3309 68.411 192.305 68.4095 213.682 75.8803 192.304 75.8812 128.137 GPRESSURE: 4766000 -23.3888 108.474 167.139 160.329 246.596 122.762 153.971 -3.66679 144.668 PRESSAVG: 4766000 28.4292 16.7234 -2.06193 16.7233 -0.450769 -10.3255 -2.06199 -10.3255 0.997113 GPRESSAVG: 4766000 30.0682 14.5669 -3.90637 17.9376 -0.606491 -8.14555 -3.71131 -10.7038 -0.192112 TIMING: 4766000 CPU: 14334.3, 0.00300339/step Wall: 14334.3, 0.00300339/step, 0.19522 hours remaining, 207.730469 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: 4766000 720.6118 2116.9725 1954.6987 109.6150 -206180.5197 17782.8193 0.0000 0.0000 34146.1220 -149349.6804 298.2066 -183495.8024 -149257.9340 299.0940 90.1628 122.6251 555734.6581 9.6585 9.7565 PRESSURE: 4766200 -57.6086 -104.363 -48.866 -104.365 156.717 -129.889 -48.8653 -129.89 -169.069 GPRESSURE: 4766200 -4.83856 -117.479 51.7929 -93.9592 196.707 -143.646 -80.7582 -151.461 -159.937 PRESSAVG: 4766200 -3.03277 -52.4025 49.7719 -52.4025 54.0249 -1.43886 49.7718 -1.43883 -72.9616 GPRESSAVG: 4766200 -4.02714 -49.3093 51.671 -53.4286 55.7623 -0.546104 52.6155 -0.254589 -72.9685 TIMING: 4766200 CPU: 14334.9, 0.00302117/step Wall: 14334.9, 0.00302117/step, 0.196208 hours remaining, 207.730469 MB of memory in use. ENERGY: 4766200 789.7425 2063.7720 1975.2986 122.9178 -206220.3362 17847.4635 0.0000 0.0000 34129.9166 -149291.2252 298.0651 -183421.1418 -149194.2300 298.8042 -23.3200 10.6438 558333.8685 -7.3232 -7.0778 PRESSURE: 4766400 -220.294 -74.6714 -79.1392 -74.669 244.251 72.0664 -79.1393 72.065 -124.966 GPRESSURE: 4766400 -254.926 -127.487 -19.1037 -30.7662 288.815 -8.73123 -141.904 56.2173 -29.1854 PRESSAVG: 4766400 12.9352 -22.292 -1.33156 -22.292 17.1731 -10.8584 -1.33158 -10.8584 -27.0805 GPRESSAVG: 4766400 12.9488 -22.1925 0.434001 -22.581 15.2733 -11.6817 -5.60551 -10.5379 -25.3176 TIMING: 4766400 CPU: 14335.5, 0.00301755/step Wall: 14335.5, 0.00301755/step, 0.195805 hours remaining, 207.730469 MB of memory in use. ENERGY: 4766400 765.1181 2124.6107 1957.2438 119.1352 -206295.4621 17834.8276 0.0000 0.0000 34391.2067 -149103.3200 300.3470 -183494.5267 -149007.3648 299.0983 -33.6697 1.5678 557755.0399 1.0093 0.9682 PRESSURE: 4766600 -18.1918 -56.2115 76.6396 -56.2117 -134.816 -197.728 76.6395 -197.731 -125.998 GPRESSURE: 4766600 44.9138 -20.8731 77.5391 -66.6151 -143.739 -137.595 71.5912 -145.309 -88.6173 PRESSAVG: 4766600 10.0405 -11.7624 -7.43089 -11.7624 36.3878 -5.44403 -7.43094 -5.44422 -5.03178 GPRESSAVG: 4766600 10.272 -12.411 -8.24965 -9.72926 36.6792 -5.31214 -5.08453 -6.98829 -5.85547 TIMING: 4766600 CPU: 14336.1, 0.00303907/step Wall: 14336.1, 0.00303907/step, 0.197033 hours remaining, 207.730469 MB of memory in use. ENERGY: 4766600 766.4138 2153.2988 1940.6522 106.0691 -206046.1174 17696.3940 0.0000 0.0000 34184.3380 -149198.9515 298.5403 -183383.2895 -149105.0070 299.2953 -93.0020 -62.4808 557104.0094 13.7988 13.6986 PRESSURE: 4766800 -130.781 -16.8851 -24.8579 -16.886 -29.2911 -14.4966 -24.8583 -14.4958 -82.9086 GPRESSURE: 4766800 -96.5328 -136.127 21.616 -27.003 17.3416 -23.3636 -40.875 -62.2585 -69.0045 PRESSAVG: 4766800 55.1191 13.3274 21.2563 13.3274 -22.3731 19.7764 21.2562 19.7763 -7.30688 GPRESSAVG: 4766800 55.9519 11.7152 19.5026 12.1289 -22.6684 19.2408 21.2468 20.6877 -7.61068 TIMING: 4766800 CPU: 14336.7, 0.00303997/step Wall: 14336.7, 0.00303997/step, 0.196922 hours remaining, 207.730469 MB of memory in use. ENERGY: 4766800 753.9825 2087.0028 1981.3782 108.8639 -206098.9388 17687.3964 0.0000 0.0000 34205.6422 -149274.6728 298.7264 -183480.3150 -149177.4808 300.0040 -80.9935 -49.3985 557516.6236 8.4797 8.5576 PRESSURE: 4767000 -270.594 -19.6749 38.0353 -19.6752 -326.815 -4.5389 38.0363 -4.53765 -28.2642 GPRESSURE: 4767000 -267.462 7.24655 -23.342 6.95475 -270.528 59.0252 22.6166 -15.3399 12.1229 PRESSAVG: 4767000 38.9243 -17.0411 29.4697 -17.0412 -56.079 15.7273 29.4697 15.7272 -7.66777 GPRESSAVG: 4767000 37.9494 -17.0246 29.4016 -18.8624 -55.0581 15.2895 30.2755 14.674 -7.01662 TIMING: 4767000 CPU: 14337.3, 0.00303927/step Wall: 14337.3, 0.00303927/step, 0.196708 hours remaining, 207.730469 MB of memory in use. ENERGY: 4767000 760.0829 2099.5250 1968.3076 120.6893 -206092.9843 17498.5881 0.0000 0.0000 34351.2177 -149294.5737 299.9977 -183645.7914 -149195.4259 299.6943 -208.5578 -175.2892 557619.7606 -8.2742 -8.0418 PRESSURE: 4767200 -235.685 -98.8033 126.813 -98.8032 -156.347 30.0728 126.813 30.0725 -292.115 GPRESSURE: 4767200 -189.217 -20.9237 21.191 -6.66192 -130.071 83.2993 178.472 24.669 -281.905 PRESSAVG: 4767200 26.1809 63.0271 -2.59172 63.0272 10.6704 23.1891 -2.59169 23.1892 -40.1858 GPRESSAVG: 4767200 27.9897 62.0418 -2.75326 64.995 9.52658 25.1465 -0.997574 24.7062 -41.2041 TIMING: 4767200 CPU: 14337.9, 0.00303037/step Wall: 14337.9, 0.00303037/step, 0.195964 hours remaining, 207.730469 MB of memory in use. ENERGY: 4767200 752.9565 2111.9848 1940.6519 119.9090 -205883.1356 17398.0750 0.0000 0.0000 34378.5235 -149181.0349 300.2362 -183559.5584 -149090.3043 299.9158 -228.0487 -200.3976 557625.0659 -1.1115 -1.2293 PRESSURE: 4767400 -119.033 60.5886 41.5062 60.587 -206.248 -25.619 41.5077 -25.6201 -403.797 GPRESSURE: 4767400 -31.438 131.662 116.152 68.2945 -214.239 -87.4987 50.925 -49.8972 -380.981 PRESSAVG: 4767400 -55.9985 -11.7325 23.7402 -11.7325 46.6751 32.0688 23.7402 32.0689 -32.4732 GPRESSAVG: 4767400 -57.1124 -11.3022 24.7571 -12.2693 47.695 31.3485 22.118 29.6751 -32.2264 TIMING: 4767400 CPU: 14338.5, 0.00301522/step Wall: 14338.5, 0.00301522/step, 0.194817 hours remaining, 207.730469 MB of memory in use. ENERGY: 4767400 743.1714 2141.4114 1964.7389 109.8292 -206256.1087 17789.7138 0.0000 0.0000 34163.4143 -149343.8297 298.3576 -183507.2440 -149250.4572 299.5511 -243.0257 -208.8858 559690.0106 -13.9322 -13.8813 PRESSURE: 4767600 -32.2653 74.6862 134.09 74.6862 93.358 -9.51848 134.09 -9.51757 210.486 GPRESSURE: 4767600 -4.23147 72.8811 211.112 137.959 112.916 -20.3527 39.3672 -3.07273 253.966 PRESSAVG: 4767600 -14.2954 37.1308 -4.35302 37.1308 -1.94173 2.96175 -4.35293 2.96166 -5.81088 GPRESSAVG: 4767600 -15.0207 38.339 -5.97234 35.5596 -2.22286 3.42059 -5.08107 3.5707 -4.52938 TIMING: 4767600 CPU: 14339.1, 0.00301795/step Wall: 14339.1, 0.00301795/step, 0.194825 hours remaining, 207.730469 MB of memory in use. ENERGY: 4767600 776.3158 2075.4770 1956.6802 113.0121 -206582.8228 18127.3326 0.0000 0.0000 34238.9492 -149295.0558 299.0173 -183534.0050 -149200.5656 299.3116 90.5261 120.8835 557990.8428 -7.3493 -7.2577 PRESSURE: 4767800 12.7329 45.1654 128.149 45.1648 127.334 37.9121 128.149 37.9126 178.713 GPRESSURE: 4767800 37.9144 37.6658 97.43 91.6154 138.997 109.593 203.622 -110.326 233.495 PRESSAVG: 4767800 17.791 -13.5895 28.6138 -13.5896 -28.4321 19.1168 28.6138 19.1168 -25.3419 GPRESSAVG: 4767800 18.6256 -12.1713 27.3886 -12.6252 -30.2322 18.404 29.2162 19.8144 -24.4956 TIMING: 4767800 CPU: 14339.7, 0.00300804/step Wall: 14339.7, 0.00300804/step, 0.194018 hours remaining, 207.730469 MB of memory in use. ENERGY: 4767800 734.8997 2088.7417 1971.0881 116.4647 -206592.9122 18035.0794 0.0000 0.0000 34374.3388 -149272.2997 300.1997 -183646.6386 -149178.4247 299.1050 106.2598 136.8023 556898.1366 -11.9943 -12.0340 PRESSURE: 4768000 -219.637 94.3079 208.104 94.3084 137.025 -9.90304 208.104 -9.90403 -123.812 GPRESSURE: 4768000 -211.134 31.6158 253.58 81.5722 200.774 -3.16948 210.837 24.3078 -86.9995 PRESSAVG: 4768000 -35.4088 -8.70671 69.9003 -8.70666 59.8331 -2.67925 69.9005 -2.67923 9.93352 GPRESSAVG: 4768000 -35.7942 -10.3618 71.3501 -8.46576 61.614 -3.86558 71.3144 -0.476642 8.48058 TIMING: 4768000 CPU: 14340.3, 0.00304614/step Wall: 14340.3, 0.00304614/step, 0.196307 hours remaining, 207.730469 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: 4768000 723.3360 2065.2589 1945.8204 108.4551 -206100.6823 17815.3186 0.0000 0.0000 34177.3502 -149265.1431 298.4793 -183442.4933 -149165.0063 298.8644 -68.8080 -32.4532 558091.4984 11.4526 11.4334 PRESSURE: 4768200 -301.603 -214.559 29.4695 -214.56 -166.357 24.1415 29.4697 24.1408 -94.1227 GPRESSURE: 4768200 -248.011 -258.579 43.8771 -171.884 -127.865 131.883 44.3279 -78.8209 -84.9089 PRESSAVG: 4768200 -51.7651 7.03168 -8.81087 7.03167 9.90119 14.9761 -8.81091 14.976 31.2002 GPRESSAVG: 4768200 -51.9008 7.24115 -7.43623 8.39065 9.04066 14.9599 -10.6643 13.5916 31.7488 TIMING: 4768200 CPU: 14340.9, 0.00302131/step Wall: 14340.9, 0.00302131/step, 0.194539 hours remaining, 207.730469 MB of memory in use. ENERGY: 4768200 757.2769 2118.8409 1934.1201 113.5364 -206151.9318 17720.9065 0.0000 0.0000 34190.8448 -149316.4061 298.5972 -183507.2509 -149219.5153 299.0725 -187.3610 -153.5948 558707.4223 -3.5546 -3.7038 LDB: ============= START OF LOAD BALANCING ============== 14344.4 LDB: ============== END OF LOAD BALANCING =============== 14344.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14344.4 LDB: ============= START OF LOAD BALANCING ============== 14344.7 LDB: Largest compute 4801 load 0.027143 is 23.0% of average load 0.118193 LDB: Average compute 0.001729 is 1.5% of average load 0.118193 LDB: TIME 14344.7 LOAD: AVG 0.118193 MAX 0.2149 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.27 MB LDB: TIME 14344.7 LOAD: AVG 0.118193 MAX 0.2149 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.473 MB LDB: TIME 14344.7 LOAD: AVG 0.118193 MAX 0.2149 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.473 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14344.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14344.7 PRESSURE: 4768400 142.558 57.0538 -54.4168 57.0543 39.0407 64.8268 -54.4165 64.828 104.619 GPRESSURE: 4768400 164.713 92.9065 39.8008 35.114 61.6136 125.414 -67.112 34.6994 149.607 PRESSAVG: 4768400 18.3983 -43.0143 -0.389338 -43.0144 -33.1486 -21.3602 -0.389343 -21.3602 38.3574 GPRESSAVG: 4768400 17.2638 -42.9371 -0.0885965 -44.0674 -32.5133 -20.04 1.08022 -22.0876 38.5311 TIMING: 4768400 CPU: 14341.6, 0.00309079/step Wall: 14341.6, 0.00309079/step, 0.198841 hours remaining, 208.875000 MB of memory in use. ENERGY: 4768400 747.7326 2091.4847 1956.2635 115.8893 -205987.1380 17855.0484 0.0000 0.0000 34155.5211 -149065.1982 298.2887 -183220.7193 -148974.7298 299.4998 95.4059 125.3111 558792.3716 7.8691 7.7605 PRESSURE: 4768600 222.464 -66.2054 -5.53741 -66.2058 -114.738 -57.1092 -5.5376 -57.1093 209.512 GPRESSURE: 4768600 256.569 -91.205 -54.7476 -127.643 -81.1207 -82.6851 44.9965 -61.3844 220.646 PRESSAVG: 4768600 -13.216 17.9407 43.3466 17.9407 -29.8481 3.6697 43.3466 3.6697 45.8838 GPRESSAVG: 4768600 -12.4045 17.3163 42.8789 19.1103 -30.579 0.714847 43.4079 5.20832 45.9744 TIMING: 4768600 CPU: 14342.2, 0.0030377/step Wall: 14342.2, 0.0030377/step, 0.195257 hours remaining, 208.945312 MB of memory in use. ENERGY: 4768600 746.0459 2082.1194 1980.9011 122.3852 -205969.8933 17919.2194 0.0000 0.0000 34154.7973 -148964.4250 298.2823 -183119.2223 -148867.3459 299.3297 105.7460 132.0313 558174.8526 0.9399 0.9969 PRESSURE: 4768800 177.959 -42.5398 -40.8574 -42.5408 151.313 66.8545 -40.8568 66.8537 -120.152 GPRESSURE: 4768800 202.854 -45.3292 26.9369 -72.8157 172.979 123.602 -59.9801 3.50523 -65.5176 PRESSAVG: 4768800 -4.48932 -24.6434 20.3689 -24.6434 -75.3966 9.30696 20.3689 9.30697 49.5011 GPRESSAVG: 4768800 -5.31653 -23.0646 21.6356 -24.6387 -74.4811 11.5655 18.0754 9.44531 49.8542 TIMING: 4768800 CPU: 14342.8, 0.00305736/step Wall: 14342.8, 0.00305736/step, 0.196351 hours remaining, 208.945312 MB of memory in use. ENERGY: 4768800 745.4481 2073.9087 1942.1162 116.2545 -206055.3705 17682.3585 0.0000 0.0000 34554.6053 -148940.6791 301.7740 -183495.2844 -148843.5630 299.8102 69.7067 103.4384 557489.4683 -10.1283 -9.9812 PRESSURE: 4769000 -147.493 -35.2027 86.2403 -35.2031 -346.464 140.74 86.2398 140.74 -246.591 GPRESSURE: 4769000 -122.411 -36.8104 -47.6292 0.14977 -244.817 136.025 138.695 194.518 -272.908 PRESSAVG: 4769000 75.6152 54.364 20.4648 54.3639 0.877726 55.1115 20.465 55.1113 -56.9357 GPRESSAVG: 4769000 76.0965 52.2518 21.202 53.9926 0.511299 55.3235 22.5669 51.2936 -57.4588 TIMING: 4769000 CPU: 14343.4, 0.00303598/step Wall: 14343.4, 0.00303598/step, 0.194809 hours remaining, 208.945312 MB of memory in use. ENERGY: 4769000 737.1432 2082.1294 1963.6638 123.7589 -205400.4390 17333.3379 0.0000 0.0000 34347.4751 -148812.9308 299.9650 -183160.4059 -148719.0837 300.6214 -246.8497 -213.3784 559622.0703 6.5191 6.3830 PRESSURE: 4769200 -82.3304 28.248 60.7182 28.2464 -58.1998 23.0165 60.7164 23.015 -85.1139 GPRESSURE: 4769200 -78.6008 84.1346 72.7522 55.6404 30.106 -60.3946 112.583 45.0214 -91.5789 PRESSAVG: 4769200 2.93025 19.4814 49.9573 19.4815 43.3857 68.9523 49.9573 68.9523 -91.8076 GPRESSAVG: 4769200 3.16334 23.4989 49.5362 19.3285 42.726 67.8135 48.9645 71.4658 -91.7774 TIMING: 4769200 CPU: 14344, 0.00304076/step Wall: 14344, 0.00304076/step, 0.194946 hours remaining, 208.945312 MB of memory in use. ENERGY: 4769200 774.8442 2060.9033 1956.9585 109.8492 -206143.4443 17798.6013 0.0000 0.0000 34662.1955 -148780.0923 302.7136 -183442.2878 -148687.7245 300.9878 -75.2147 -46.6912 559397.8918 -15.1639 -15.2960 PRESSURE: 4769400 -63.4478 76.4213 33.1913 76.4223 205.265 71.8938 33.1902 71.8933 -129.901 GPRESSURE: 4769400 -34.6829 92.4197 41.8385 -2.6906 240.26 73.5664 -33.1501 26.2645 -89.7338 PRESSAVG: 4769400 -34.3391 -22.381 37.443 -22.381 50.339 30.6827 37.443 30.6827 20.9087 GPRESSAVG: 4769400 -34.1934 -24.9193 34.6142 -21.8748 50.8078 32.0483 37.8293 28.9809 20.3032 TIMING: 4769400 CPU: 14344.6, 0.00305304/step Wall: 14344.6, 0.00305304/step, 0.195564 hours remaining, 208.945312 MB of memory in use. ENERGY: 4769400 754.4927 2079.5629 1987.2163 112.4866 -205741.4279 17711.2843 0.0000 0.0000 34360.3245 -148736.0606 300.0773 -183096.3851 -148629.6731 300.5268 3.9719 38.6144 557578.6769 12.3029 12.3059 PRESSURE: 4769600 7.27869 -127.887 14.9784 -127.887 -231.398 203.688 14.9791 203.686 10.661 GPRESSURE: 4769600 13.4237 -170.562 1.90569 -90.0852 -148.399 197.985 60.7435 210.487 34.3163 PRESSAVG: 4769600 -28.2905 -41.1114 -23.6982 -41.1113 34.3343 24.5958 -23.6982 24.596 10.6335 GPRESSAVG: 4769600 -29.658 -41.9329 -21.748 -38.7997 36.4263 25.4311 -24.5147 26.1459 10.3887 TIMING: 4769600 CPU: 14345.2, 0.00302295/step Wall: 14345.2, 0.00302295/step, 0.193469 hours remaining, 208.945312 MB of memory in use. ENERGY: 4769600 749.2832 2076.9197 1927.2126 96.0247 -206002.2479 17768.5449 0.0000 0.0000 34415.2670 -148968.9957 300.5571 -183384.2627 -148867.1460 300.9298 -71.1526 -33.5531 558589.6695 5.5591 5.7190 PRESSURE: 4769800 35.9658 -90.288 62.4141 -90.2878 -358.397 40.5178 62.4137 40.5185 -179.913 GPRESSURE: 4769800 60.9996 4.02654 81.9129 -44.8249 -313.89 0.57894 60.877 86.3605 -155.972 PRESSAVG: 4769800 -49.0342 20.967 3.68482 20.967 31.0558 38.0401 3.68487 38.0401 67.6498 GPRESSAVG: 4769800 -48.1325 21.5259 4.27349 18.6145 29.7555 39.3246 4.9447 36.2588 68.0707 TIMING: 4769800 CPU: 14345.8, 0.00304236/step Wall: 14345.8, 0.00304236/step, 0.194542 hours remaining, 208.945312 MB of memory in use. ENERGY: 4769800 773.4093 2141.8193 1938.9701 115.1145 -206005.5583 17770.8954 0.0000 0.0000 34344.3472 -148921.0026 299.9377 -183265.3498 -148825.8023 299.9049 -167.4482 -136.2875 559039.0724 16.5571 16.5646 PRESSURE: 4770000 -227.839 -15.0614 -68.3995 -15.0613 -166.738 195.271 -68.3984 195.272 119.176 GPRESSURE: 4770000 -216.763 89.1615 -52.8355 -31.4681 -105.746 86.1695 -51.2511 204.498 155.854 PRESSAVG: 4770000 -68.1273 -12.0476 -11.3443 -12.0477 -66.2137 33.5695 -11.3442 33.5695 106.067 GPRESSAVG: 4770000 -68.2058 -10.3465 -12.8791 -11.2406 -66.9289 30.2644 -10.5528 33.455 106.946 TIMING: 4770000 CPU: 14346.4, 0.00305979/step Wall: 14346.4, 0.00305979/step, 0.195487 hours remaining, 208.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4770000 752.2701 2077.5060 1960.7264 135.7375 -205839.9322 17654.5898 0.0000 0.0000 34372.5142 -148886.5882 300.1837 -183259.1024 -148784.8682 300.6205 -91.8003 -55.5518 559010.3284 -9.4247 -9.3961 PRESSURE: 4770200 -46.7476 105.115 267.142 105.116 161.877 -137.796 267.141 -137.795 -196.877 GPRESSURE: 4770200 -39.2085 68.1788 258.212 117.599 165.02 -78.777 225.054 -146.796 -119.094 PRESSAVG: 4770200 -27.834 1.32632 -9.40998 1.32636 -36.7135 -30.3224 -9.40992 -30.3223 64.164 GPRESSAVG: 4770200 -26.9639 0.924896 -8.57312 -1.68848 -36.7911 -27.5669 -13.3812 -30.4054 63.8125 TIMING: 4770200 CPU: 14347, 0.00302582/step Wall: 14347, 0.00302582/step, 0.193148 hours remaining, 208.945312 MB of memory in use. ENERGY: 4770200 765.2263 2056.7282 1960.0766 118.7664 -206004.7301 17858.1172 0.0000 0.0000 34451.1312 -148794.6842 300.8703 -183245.8154 -148704.4125 300.2581 -27.2490 2.2389 559098.4916 -0.1278 0.0191 PRESSURE: 4770400 -504.207 -4.1706 38.9498 -4.16953 -177.091 46.6833 38.9496 46.6842 -159.643 GPRESSURE: 4770400 -491.545 51.8325 71.6658 -33.7521 -114.056 47.9807 102.984 55.6846 -141.836 PRESSAVG: 4770400 -54.0606 11.3309 53.7468 11.3309 -6.21069 -3.6834 53.7468 -3.68344 50.404 GPRESSAVG: 4770400 -54.2539 9.53614 54.0754 14.7944 -5.91713 -4.10818 54.9902 -0.857476 50.1524 TIMING: 4770400 CPU: 14347.6, 0.00300082/step Wall: 14347.6, 0.00300082/step, 0.191386 hours remaining, 208.945312 MB of memory in use. ENERGY: 4770400 715.1485 2114.1656 1970.9802 106.0204 -205645.8249 17530.4963 0.0000 0.0000 34302.9687 -148906.0454 299.5764 -183209.0140 -148809.0859 300.6194 -280.3137 -249.1456 559951.8817 -3.2891 -3.3396 PRESSURE: 4770600 -282.553 -46.6241 11.4258 -46.6231 -41.6107 -7.60714 11.4261 -7.6096 -68.331 GPRESSURE: 4770600 -250.457 29.7366 -122.676 -68.5024 28.7436 -85.7028 68.6915 -22.1774 -74.0449 PRESSAVG: 4770600 -49.2182 -0.378712 28.1138 -0.378742 51.2892 -2.47409 28.1138 -2.47407 86.57 GPRESSAVG: 4770600 -48.7236 1.02459 28.9794 -1.79213 49.9111 -1.29646 27.4116 -6.73554 86.7704 TIMING: 4770600 CPU: 14348.2, 0.00301229/step Wall: 14348.2, 0.00301229/step, 0.19195 hours remaining, 208.945312 MB of memory in use. ENERGY: 4770600 748.2342 2120.3129 1974.3233 115.9812 -205645.3312 17448.2828 0.0000 0.0000 34419.9165 -148818.2802 300.5977 -183238.1967 -148717.4287 301.0498 -130.8317 -98.5862 557457.3304 29.5470 29.3193 PRESSURE: 4770800 92.9523 -78.2481 -28.4674 -78.2485 136.141 -15.2705 -28.4673 -15.2698 -6.65105 GPRESSURE: 4770800 105.593 -109.811 -114.942 -148.218 157.472 32.6355 40.5068 -51.878 57.7488 PRESSAVG: 4770800 40.0936 -23.7162 20.5648 -23.7163 -17.4761 10.3088 20.5648 10.3088 -43.1688 GPRESSAVG: 4770800 39.6592 -24.1651 20.1626 -22.6113 -16.3353 8.37391 23.066 12.8529 -44.0674 TIMING: 4770800 CPU: 14348.8, 0.00300358/step Wall: 14348.8, 0.00300358/step, 0.191228 hours remaining, 208.945312 MB of memory in use. ENERGY: 4770800 769.6594 2094.5576 1932.9332 131.2128 -206034.3524 17798.6870 0.0000 0.0000 34631.9162 -148675.3862 302.4491 -183307.3024 -148574.5396 300.7006 74.1474 106.9381 556948.7200 -6.8504 -6.9145 PRESSURE: 4771000 -17.3827 -138.005 46.6572 -138.005 -201.384 -140.698 46.6572 -140.697 60.5925 GPRESSURE: 4771000 67.8542 -17.6647 78.0789 -236.918 -174.532 -166.944 13.9589 -62.8824 39.9419 PRESSAVG: 4771000 -9.3902 -7.73078 2.83076 -7.73082 -69.6733 -13.5986 2.83073 -13.5986 92.3622 GPRESSAVG: 4771000 -8.96716 -6.94219 1.77146 -7.86791 -68.7341 -11.7029 3.1375 -14.062 91.2732 TIMING: 4771000 CPU: 14349.4, 0.00303485/step Wall: 14349.4, 0.00303485/step, 0.19305 hours remaining, 208.945312 MB of memory in use. ENERGY: 4771000 741.2695 2070.2952 1976.3696 115.6100 -205965.8605 17762.8903 0.0000 0.0000 34506.3147 -148793.1110 301.3522 -183299.4257 -148696.1127 301.0013 -52.7247 -22.2452 556981.7854 4.4329 4.5240 PRESSURE: 4771200 -143.746 -84.1969 -192.165 -84.196 -370.657 -67.83 -192.166 -67.8296 -174.569 GPRESSURE: 4771200 -92.1781 -93.1947 -153.295 -120.436 -385.287 -8.30813 -160.814 -191.315 -122.367 PRESSAVG: 4771200 -6.9405 -45.8175 -27.8172 -45.8175 -70.0266 -8.95367 -27.8172 -8.95373 87.1172 GPRESSAVG: 4771200 -6.92258 -44.9587 -25.753 -47.393 -70.7505 -8.8971 -29.5766 -8.00715 87.8901 TIMING: 4771200 CPU: 14350.1, 0.00301357/step Wall: 14350.1, 0.00301357/step, 0.191529 hours remaining, 208.945312 MB of memory in use. ENERGY: 4771200 786.6928 2102.4517 1915.4558 121.9764 -205805.5662 17400.6291 0.0000 0.0000 34503.8971 -148974.4633 301.3311 -183478.3604 -148876.6509 300.2548 -229.6573 -199.9438 557197.9217 3.3834 3.4057 PRESSURE: 4771400 80.7015 66.8537 100.263 66.8549 -331.89 23.703 100.262 23.7032 -211.023 GPRESSURE: 4771400 42.0691 -32.8661 94.5284 97.0555 -214.763 180.381 122.657 -33.8879 -188.63 PRESSAVG: 4771400 -20.0364 26.5185 -22.9139 26.5185 29.1198 -30.6812 -22.9139 -30.6811 8.4838 GPRESSAVG: 4771400 -20.895 26.3619 -25.3785 27.7654 30.0438 -32.1371 -20.9895 -31.3668 8.73939 TIMING: 4771400 CPU: 14350.7, 0.00305053/step Wall: 14350.7, 0.00305053/step, 0.193709 hours remaining, 208.945312 MB of memory in use. ENERGY: 4771400 744.1781 2090.0398 1938.7023 105.4817 -206141.6121 17763.3790 0.0000 0.0000 34347.8047 -149152.0266 299.9679 -183499.8313 -149051.6569 300.5495 -154.0706 -120.4415 559052.8582 5.8557 5.9627 PRESSURE: 4771600 -181.079 170.612 15.0742 170.612 -318.557 100.269 15.0747 100.269 14.9711 GPRESSURE: 4771600 -98.3879 127.333 10.9849 228.753 -303.832 187.789 -20.966 43.0261 20.6731 PRESSAVG: 4771600 38.6196 -12.1277 -10.517 -12.1278 -14.8625 25.2774 -10.517 25.2773 -40.559 GPRESSAVG: 4771600 39.6289 -12.0846 -10.1786 -12.102 -16.4056 25.9913 -10.0538 24.1695 -40.059 TIMING: 4771600 CPU: 14351.3, 0.00305249/step Wall: 14351.3, 0.00305249/step, 0.193664 hours remaining, 208.945312 MB of memory in use. ENERGY: 4771600 724.0290 2106.5802 1956.7811 110.8775 -205900.6219 17498.1564 0.0000 0.0000 34316.8347 -149187.3629 299.6975 -183504.1976 -149089.3150 299.3913 -161.5551 -127.1821 557229.9404 -5.6006 -5.6119 PRESSURE: 4771800 -243.664 -86.6062 -201.249 -86.6076 217.594 95.1182 -201.249 95.1167 -157.067 GPRESSURE: 4771800 -237.431 -124.021 -160.037 -75.9493 233.671 21.5736 -218.639 136.724 -81.8998 PRESSAVG: 4771800 -17.9222 -10.4764 -1.56674 -10.4764 -4.09603 58.2276 -1.56672 58.2275 33.8273 GPRESSAVG: 4771800 -19.5529 -12.1086 -1.03955 -11.5087 -2.0793 57.8619 -0.656535 59.6012 33.4421 TIMING: 4771800 CPU: 14351.9, 0.00303944/step Wall: 14351.9, 0.00303944/step, 0.192667 hours remaining, 208.945312 MB of memory in use. ENERGY: 4771800 795.4344 2074.4591 1955.1600 132.3097 -206198.8017 17812.2336 0.0000 0.0000 34388.5102 -149040.6946 300.3234 -183429.2048 -148940.8424 299.6728 -61.0456 -28.5533 557463.8722 3.9364 3.9366 PRESSURE: 4772000 -154.997 15.1971 31.3523 15.1966 1.52406 8.50716 31.3517 8.50785 244.06 GPRESSURE: 4772000 -73.8664 24.7425 31.4289 -19.801 52.5426 -93.5155 -34.2996 58.5726 207.656 PRESSAVG: 4772000 -50.9086 7.0067 25.9568 7.00671 52.8718 0.674513 25.9569 0.674508 9.40944 GPRESSAVG: 4772000 -50.1255 8.5341 28.0131 8.31544 51.6597 -1.46977 22.2546 1.58702 10.173 TIMING: 4772000 CPU: 14352.5, 0.00302022/step Wall: 14352.5, 0.00302022/step, 0.191281 hours remaining, 208.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4772000 791.5488 2056.7757 1957.5662 129.1550 -206114.3681 17841.7563 0.0000 0.0000 34307.7723 -149029.7938 299.6183 -183337.5660 -148935.8464 300.5086 30.1956 62.1108 557104.9860 3.7909 3.9024 PRESSURE: 4772200 29.955 29.3263 49.0165 29.3258 274.462 152.147 49.0164 152.149 167.98 GPRESSURE: 4772200 126.286 37.6638 4.88547 72.0848 296.627 209.219 -33.0801 98.868 152.621 PRESSAVG: 4772200 -41.2963 5.94186 42.6196 5.94175 -6.62572 52.5233 42.6196 52.5233 44.9675 GPRESSAVG: 4772200 -41.0881 7.39817 39.578 4.93453 -7.50498 54.4253 44.9485 52.1938 45.9482 TIMING: 4772200 CPU: 14353.1, 0.00303716/step Wall: 14353.1, 0.00303716/step, 0.192185 hours remaining, 208.945312 MB of memory in use. ENERGY: 4772200 757.7204 2160.8629 1947.3389 117.1013 -206258.1011 17899.3996 0.0000 0.0000 34294.4781 -149081.1999 299.5022 -183375.6780 -148989.0305 299.7300 157.4658 191.8446 556010.8240 -0.9849 -0.8816 LDB: ============= START OF LOAD BALANCING ============== 14356.5 LDB: ============== END OF LOAD BALANCING =============== 14356.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14356.5 LDB: ============= START OF LOAD BALANCING ============== 14356.8 LDB: Largest compute 4801 load 0.026768 is 22.6% of average load 0.118221 LDB: Average compute 0.001728 is 1.5% of average load 0.118221 LDB: TIME 14356.8 LOAD: AVG 0.118221 MAX 0.216995 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.648 MB LDB: TIME 14356.8 LOAD: AVG 0.118221 MAX 0.216995 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.648 MB LDB: TIME 14356.8 LOAD: AVG 0.118221 MAX 0.216995 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.648 MB LDB: ============== END OF LOAD BALANCING =============== 14356.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14356.8 PRESSURE: 4772400 -40.0729 -109.833 26.0135 -109.832 272.051 -60.1512 26.0135 -60.15 -152.044 GPRESSURE: 4772400 -54.6353 -145.94 -2.80621 -76.0147 338.848 -39.1913 30.6643 -121.325 -91.4298 PRESSAVG: 4772400 3.85757 19.2164 -65.2561 19.2164 67.2659 11.3998 -65.2561 11.3998 -107.517 GPRESSAVG: 4772400 4.1679 17.4003 -62.3909 19.5662 67.371 9.66114 -65.5267 11.6705 -108.113 TIMING: 4772400 CPU: 14353.7, 0.00309024/step Wall: 14353.7, 0.00309024/step, 0.195372 hours remaining, 209.132812 MB of memory in use. ENERGY: 4772400 759.5319 2091.9433 1939.6828 112.5098 -206075.8257 17795.4111 0.0000 0.0000 34384.6741 -148992.0727 300.2899 -183376.7468 -148889.2627 300.0395 26.6446 64.2610 556860.4949 -12.1313 -12.1913 PRESSURE: 4772600 326.502 74.78 -165.154 74.7807 221.956 -50.2817 -165.154 -50.2812 146.728 GPRESSURE: 4772600 335.817 26.676 -182.158 121.771 255.213 -37.5092 -165.363 -47.752 210.776 PRESSAVG: 4772600 -3.24113 25.6091 -35.2257 25.6092 112.619 1.76696 -35.2256 1.767 -78.3375 GPRESSAVG: 4772600 -3.71848 28.0255 -36.2675 22.7754 114.007 4.10402 -34.8496 0.840181 -79.0555 TIMING: 4772600 CPU: 14354.3, 0.00306598/step Wall: 14354.3, 0.00306598/step, 0.193668 hours remaining, 209.132812 MB of memory in use. ENERGY: 4772600 759.3637 2087.1525 1936.5163 121.2080 -206206.6905 17992.9062 0.0000 0.0000 34445.6700 -148863.8739 300.8226 -183309.5438 -148771.7911 300.5131 231.7287 267.2686 556062.8014 10.3469 10.4111 PRESSURE: 4772800 -92.617 -68.6609 44.5221 -68.6612 94.5309 63.2436 44.5217 63.2443 -222.465 GPRESSURE: 4772800 6.38512 -14.5383 0.392434 -36.0709 67.7601 80.7099 -34.7254 130.523 -186.428 PRESSAVG: 4772800 55.9428 -15.6632 -14.6439 -15.6631 27.9833 13.1406 -14.644 13.1406 -52.2502 GPRESSAVG: 4772800 56.8246 -17.4119 -15.6531 -13.5753 27.4011 12.3144 -14.1569 15.7963 -53.0086 TIMING: 4772800 CPU: 14354.9, 0.0030408/step Wall: 14354.9, 0.0030408/step, 0.191909 hours remaining, 209.132812 MB of memory in use. ENERGY: 4772800 745.4807 2100.3854 1942.5940 115.0670 -205742.9361 17647.1981 0.0000 0.0000 34356.1547 -148836.0560 300.0408 -183192.2107 -148739.3229 301.6124 -73.5172 -37.4276 557757.9144 10.5587 10.4057 PRESSURE: 4773000 -209.577 36.7754 170.423 36.7751 71.5065 -30.6608 170.422 -30.6597 -45.6734 GPRESSURE: 4773000 -218.785 77.9886 179.485 41.6649 142.953 -17.5993 218.733 -46.9108 -3.29467 PRESSAVG: 4773000 40.6224 7.38832 14.3444 7.38835 5.8545 42.1166 14.3444 42.1166 -16.5145 GPRESSAVG: 4773000 39.1287 8.40998 14.0424 7.34279 6.7287 41.5077 15.4033 40.9014 -16.1901 TIMING: 4773000 CPU: 14355.5, 0.00304856/step Wall: 14355.5, 0.00304856/step, 0.192229 hours remaining, 209.132812 MB of memory in use. ENERGY: 4773000 721.7969 2113.6993 1958.6699 112.7775 -206032.8418 17744.4857 0.0000 0.0000 34357.1535 -149024.2589 300.0496 -183381.4124 -148930.7356 300.3737 -61.2480 -26.3757 557902.3293 9.9875 9.8891 PRESSURE: 4773200 44.8525 48.6557 90.9369 48.6554 14.4901 72.5936 90.9368 72.593 150.523 GPRESSURE: 4773200 82.3691 -12.8685 42.1993 107.604 78.4471 75.5425 125.716 113.047 150.604 PRESSAVG: 4773200 -15.3251 19.535 -9.84403 19.5351 0.764569 13.3324 -9.84404 13.3325 -1.55725 GPRESSAVG: 4773200 -14.5913 19.2813 -7.62691 20.5631 -0.806142 13.624 -11.58 13.6213 -0.728295 TIMING: 4773200 CPU: 14356.1, 0.00302185/step Wall: 14356.1, 0.00302185/step, 0.190377 hours remaining, 209.132812 MB of memory in use. ENERGY: 4773200 756.2446 2122.0415 1930.2919 118.6861 -206214.9530 17939.0284 0.0000 0.0000 34466.2763 -148882.3843 301.0026 -183348.6606 -148782.5074 300.4555 69.9553 103.8069 557640.9967 -5.3726 -5.3752 PRESSURE: 4773400 60.032 73.1619 32.0784 73.1635 223.458 15.533 32.0781 15.5319 189.605 GPRESSURE: 4773400 63.4994 92.4014 -38.7845 13.3524 280.394 -81.0717 -20.467 6.2185 221.676 PRESSAVG: 4773400 5.5114 5.63563 -22.3269 5.63574 37.7305 -16.958 -22.3268 -16.958 -21.6898 GPRESSAVG: 4773400 4.76776 7.14525 -23.2272 5.29785 39.8038 -18.7531 -22.2795 -16.9249 -22.6985 TIMING: 4773400 CPU: 14356.8, 0.00303311/step Wall: 14356.8, 0.00303311/step, 0.190917 hours remaining, 209.132812 MB of memory in use. ENERGY: 4773400 748.0395 2078.9539 1923.0142 116.1981 -206138.5198 17961.7732 0.0000 0.0000 34326.8364 -148983.7046 299.7848 -183310.5410 -148886.7095 300.0635 157.6982 188.5232 557368.7675 7.1840 7.2910 PRESSURE: 4773600 -282.529 98.9392 31.4582 98.9401 -339.642 -209.83 31.4582 -209.83 -229.667 GPRESSURE: 4773600 -282.533 105.459 -0.614194 43.8753 -299.92 -114.739 22.4468 -296.105 -173.962 PRESSAVG: 4773600 17.305 26.8953 24.3603 26.8952 41.9644 22.2289 24.3602 22.2289 -30.0189 GPRESSAVG: 4773600 17.4373 25.7959 23.4264 27.8974 41.2382 22.6574 25.1009 21.6655 -29.2289 TIMING: 4773600 CPU: 14357.4, 0.00304485/step Wall: 14357.4, 0.00304485/step, 0.191487 hours remaining, 209.132812 MB of memory in use. ENERGY: 4773600 737.0049 2097.8507 1956.3404 118.8658 -205705.3932 17457.4849 0.0000 0.0000 34378.4102 -148959.4363 300.2352 -183337.8465 -148858.6146 299.8996 -283.9459 -252.1383 559871.8527 9.7502 9.8155 PRESSURE: 4773800 -88.5157 133.824 122.289 133.823 -133.573 38.6145 122.288 38.6138 -100.487 GPRESSURE: 4773800 -72.6004 176.768 102.739 46.602 -126.978 12.0794 20.938 141.389 -41.8517 PRESSAVG: 4773800 7.10613 7.20363 23.262 7.20366 21.2354 -2.99662 23.262 -2.99665 -35.1919 GPRESSAVG: 4773800 8.06232 7.33312 24.7487 5.68752 20.2183 -2.30588 21.4155 -2.55047 -35.0493 TIMING: 4773800 CPU: 14358, 0.00303836/step Wall: 14358, 0.00303836/step, 0.19091 hours remaining, 209.132812 MB of memory in use. ENERGY: 4773800 760.7623 2083.5164 1945.2986 111.9169 -205885.1711 17670.7386 0.0000 0.0000 34454.1627 -148858.7757 300.8968 -183312.9384 -148759.9853 299.7491 -107.5252 -80.4766 559021.3791 -2.2835 -2.2562 PRESSURE: 4774000 -233.181 16.9799 129.635 16.9805 5.03482 39.8461 129.636 39.8466 169.722 GPRESSURE: 4774000 -215.946 85.4722 74.7427 -26.4619 58.6215 18.6026 89.5536 79.1081 209.055 PRESSAVG: 4774000 -47.5077 42.8725 20.3416 42.8725 -6.02876 17.896 20.3415 17.896 68.867 GPRESSAVG: 4774000 -47.6449 41.145 18.2066 45.9373 -5.36994 20.119 21.3915 17.5246 68.2334 TIMING: 4774000 CPU: 14358.6, 0.00303296/step Wall: 14358.6, 0.00303296/step, 0.190402 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: 4774000 757.1363 2081.9650 1975.9177 105.9549 -205841.5361 17800.0283 0.0000 0.0000 34252.4684 -148868.0655 299.1353 -183120.5339 -148772.2741 299.8756 -19.4746 17.2433 559687.3675 5.1102 5.0729 PRESSURE: 4774200 23.4255 -13.5953 -236.825 -13.595 274.928 -57.7836 -236.825 -57.7821 -554.124 GPRESSURE: 4774200 61.9033 -14.1023 -220.367 -49.2768 254.275 -89.9158 -237.148 -71.4641 -456.534 PRESSAVG: 4774200 -19.6385 40.1548 58.8458 40.1548 15.1914 15.4431 58.8458 15.443 36.2925 GPRESSAVG: 4774200 -18.6162 40.3962 60.908 37.3907 15.0172 14.3002 60.0195 15.7035 36.0205 TIMING: 4774200 CPU: 14359.2, 0.00303818/step Wall: 14359.2, 0.00303818/step, 0.190562 hours remaining, 209.132812 MB of memory in use. ENERGY: 4774200 736.1909 2093.5196 1971.7002 127.2475 -205721.1676 17664.0899 0.0000 0.0000 34191.2416 -148937.1780 298.6006 -183128.4196 -148838.1106 300.1353 -85.2567 -46.7850 559525.7586 10.6151 10.8072 PRESSURE: 4774400 105.602 -20.4227 -49.4545 -20.4219 105.586 134.689 -49.4547 134.687 -42.5926 GPRESSURE: 4774400 109.316 91.6083 12.0014 -53.4654 181.81 168.909 12.0377 75.786 -28.7172 PRESSAVG: 4774400 33.7697 15.1139 -20.162 15.1139 -0.194431 6.55535 -20.162 6.55527 -21.8154 GPRESSAVG: 4774400 33.7196 15.7554 -20.3047 16.0823 -0.503263 5.21563 -20.8314 6.82266 -21.6207 TIMING: 4774400 CPU: 14359.8, 0.00301858/step Wall: 14359.8, 0.00301858/step, 0.189164 hours remaining, 209.132812 MB of memory in use. ENERGY: 4774400 748.6707 2067.6802 1963.8489 122.7636 -206268.9992 17865.8889 0.0000 0.0000 34259.0851 -149241.0619 299.1931 -183500.1469 -149140.3902 298.9690 56.1984 87.4694 558041.7527 3.9200 3.8652 PRESSURE: 4774600 10.1469 0.895162 -135.939 0.89555 234.682 61.744 -135.939 61.7443 189.88 GPRESSURE: 4774600 41.1766 -48.1523 -58.0857 -18.4951 279.844 -51.9557 -142.927 110.804 201.651 PRESSAVG: 4774600 34.0966 -20.9671 12.0864 -20.967 -8.85619 86.2719 12.0863 86.2718 13.3326 GPRESSAVG: 4774600 33.4702 -20.3476 12.2819 -21.2848 -8.925 86.9381 11.7827 85.8808 14.2285 TIMING: 4774600 CPU: 14360.4, 0.00299537/step Wall: 14360.4, 0.00299537/step, 0.187543 hours remaining, 209.132812 MB of memory in use. ENERGY: 4774600 737.5383 2103.3262 1961.8995 112.2944 -206604.3291 18014.8618 0.0000 0.0000 34358.5715 -149315.8373 300.0620 -183674.4088 -149223.8701 299.0072 144.9028 174.2239 556805.7206 12.8577 12.9246 PRESSURE: 4774800 -170.362 185.771 4.34239 185.771 -292.807 80.0653 4.3417 80.0641 9.50737 GPRESSURE: 4774800 -142.082 163.889 37.6178 203.866 -216.183 121.714 15.5965 95.8235 -4.4556 PRESSAVG: 4774800 -4.72493 -15.5511 -24.5264 -15.5511 58.1835 52.3703 -24.5264 52.3702 -12.512 GPRESSAVG: 4774800 -3.7368 -15.5763 -24.1376 -15.2875 57.8026 54.1532 -24.3291 51.0962 -13.29 TIMING: 4774800 CPU: 14361, 0.00300251/step Wall: 14361, 0.00300251/step, 0.187824 hours remaining, 209.132812 MB of memory in use. ENERGY: 4774800 771.7337 2121.3483 1939.8686 112.6768 -205916.1243 17481.8270 0.0000 0.0000 34354.2099 -149134.4599 300.0239 -183488.6698 -149031.2709 299.7421 -151.2205 -120.9070 556299.3170 13.6488 13.5919 PRESSURE: 4775000 -89.2675 113.384 45.2444 113.382 5.16158 66.5623 45.2443 66.5636 -110.274 GPRESSURE: 4775000 -32.3097 68.3705 49.7253 158.08 9.5009 -19.4467 73.3593 117.815 -73.5248 PRESSAVG: 4775000 0.69893 18.8059 46.5942 18.8059 33.1015 37.5503 46.5941 37.5504 -31.1177 GPRESSAVG: 4775000 -0.805576 15.7709 45.6056 17.6667 34.2484 37.0852 48.1785 38.476 -30.734 TIMING: 4775000 CPU: 14361.6, 0.0030031/step Wall: 14361.6, 0.0030031/step, 0.187694 hours remaining, 209.132812 MB of memory in use. ENERGY: 4775000 722.3690 2107.7543 1969.4914 123.0065 -206065.7764 17741.7864 0.0000 0.0000 34276.5263 -149124.8425 299.3454 -183401.3689 -149027.3618 299.5556 -64.7932 -32.1112 556717.4077 0.8942 0.9029 PRESSURE: 4775200 -87.4233 80.1453 -136.924 80.1456 117.42 35.3213 -136.925 35.3223 170.011 GPRESSURE: 4775200 -65.4578 100.066 -111.864 92.0868 152.293 80.3825 -221.941 -49.2738 212.567 PRESSAVG: 4775200 -51.5006 33.1617 1.6009 33.1619 86.1839 10.3344 1.60079 10.3344 -51.4908 GPRESSAVG: 4775200 -52.116 34.945 1.14455 33.9245 85.7531 10.5463 -0.80719 10.7487 -50.3652 TIMING: 4775200 CPU: 14362.2, 0.00298754/step Wall: 14362.2, 0.00298754/step, 0.186555 hours remaining, 209.132812 MB of memory in use. ENERGY: 4775200 726.2765 2117.8517 1918.0736 105.3958 -205929.1634 17739.7411 0.0000 0.0000 34323.8239 -148998.0008 299.7585 -183321.8247 -148903.8013 299.9511 66.6693 99.8007 557916.7628 -5.6025 -5.5760 PRESSURE: 4775400 -31.5384 -94.2679 -58.3149 -94.2672 -12.1066 -128.728 -58.3153 -128.727 28.3832 GPRESSURE: 4775400 -34.5416 -115.382 -48.5463 -55.2126 35.5834 -126.632 -21.6157 10.4967 78.0005 PRESSAVG: 4775400 20.6863 1.45912 -21.4098 1.45923 -27.8806 41.0631 -21.4098 41.0632 43.7526 GPRESSAVG: 4775400 21.1997 1.9443 -21.5926 2.45351 -27.4501 41.4878 -20.6055 42.5007 43.0095 TIMING: 4775400 CPU: 14362.8, 0.00302973/step Wall: 14362.8, 0.00302973/step, 0.189022 hours remaining, 209.132812 MB of memory in use. ENERGY: 4775400 735.5814 2140.6793 1971.6722 112.0175 -205965.9329 17716.7471 0.0000 0.0000 34373.6148 -148915.6207 300.1933 -183289.2354 -148817.1851 299.5931 -5.0873 26.3475 557631.1552 12.1861 12.2531 PRESSURE: 4775600 193.866 -72.8356 -115.804 -72.8352 180.971 21.7467 -115.805 21.7456 199.467 GPRESSURE: 4775600 176.753 -34.5282 -23.4949 -77.2231 233.619 22.4798 -57.082 -26.0441 254.525 PRESSAVG: 4775600 -13.1622 18.317 -30.0018 18.3171 -24.4201 -74.9174 -30.0018 -74.9174 30.744 GPRESSAVG: 4775600 -12.6587 18.6152 -29.5854 18.0851 -25.2283 -76.3707 -31.1151 -76.207 31.483 TIMING: 4775600 CPU: 14363.4, 0.00301436/step Wall: 14363.4, 0.00301436/step, 0.187895 hours remaining, 209.132812 MB of memory in use. ENERGY: 4775600 732.9851 2125.5627 1977.9215 112.7243 -206411.2595 18039.4169 0.0000 0.0000 34513.3222 -148909.3268 301.4134 -183422.6489 -148807.1720 300.4681 191.4347 221.6325 556626.1182 -2.2794 -2.1347 PRESSURE: 4775800 29.9236 -67.6022 114.344 -67.6017 -309.908 -15.4068 114.344 -15.4065 -25.3182 GPRESSURE: 4775800 78.7042 -63.9576 122.608 -144.62 -285.732 -109.228 -6.68951 -23.4548 -2.94956 PRESSAVG: 4775800 -3.87966 5.51237 34.1806 5.51233 8.01656 -30.2589 34.1805 -30.2589 1.74284 GPRESSAVG: 4775800 -2.49292 3.1761 34.4793 5.86694 8.88981 -27.6663 34.5302 -31.4414 -0.097726 TIMING: 4775800 CPU: 14364, 0.00302723/step Wall: 14364, 0.00302723/step, 0.188529 hours remaining, 209.132812 MB of memory in use. ENERGY: 4775800 760.9832 2133.6577 1948.9851 94.2471 -206027.0978 17789.6830 0.0000 0.0000 34326.8053 -148972.7364 299.7845 -183299.5417 -148876.0630 299.5112 -101.7676 -69.9925 559460.7356 1.9599 2.0997 PRESSURE: 4776000 255.378 60.7458 -221.227 60.7443 -66.1646 8.925 -221.229 8.92583 -173.273 GPRESSURE: 4776000 268.745 37.6976 -174.213 52.6433 11.8051 -55.7854 -132.344 95.9742 -156.51 PRESSAVG: 4776000 37.9359 -15.514 46.2631 -15.514 -21.7005 -17.6186 46.2631 -17.6186 -29.4425 GPRESSAVG: 4776000 37.9054 -12.7603 48.2497 -17.138 -22.2378 -17.7203 46.7543 -16.6008 -28.9564 TIMING: 4776000 CPU: 14364.6, 0.00301346/step Wall: 14364.6, 0.00301346/step, 0.187504 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: 4776000 748.5081 2129.4636 1943.2235 125.0085 -205863.5251 17658.7102 0.0000 0.0000 34304.7990 -148953.8123 299.5923 -183258.6113 -148856.3746 299.8645 5.3137 41.3466 558544.5041 -4.4024 -4.4296 PRESSURE: 4776200 -25.8506 -118.22 36.3428 -118.22 81.6599 24.6973 36.3428 24.6984 106.002 GPRESSURE: 4776200 -28.2125 -118.37 -18.9102 -126.823 164.63 -75.4009 49.4143 90.1262 121.907 PRESSAVG: 4776200 -47.3361 -0.934445 2.87765 -0.93435 20.9348 29.7147 2.87755 29.7147 -52.3228 GPRESSAVG: 4776200 -48.0332 1.54509 -0.133948 -1.44474 21.8465 28.5163 4.74255 29.9384 -53.0244 TIMING: 4776200 CPU: 14365.2, 0.00303047/step Wall: 14365.2, 0.00303047/step, 0.188394 hours remaining, 209.132812 MB of memory in use. ENERGY: 4776200 751.4658 2101.9710 1955.0728 112.7697 -206310.6841 17990.1086 0.0000 0.0000 34472.3261 -148926.9700 301.0554 -183399.2961 -148823.9080 300.1357 53.9371 86.1084 558809.4893 -26.2414 -26.4037 LDB: ============= START OF LOAD BALANCING ============== 14368.6 LDB: ============== END OF LOAD BALANCING =============== 14368.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14368.6 LDB: ============= START OF LOAD BALANCING ============== 14368.9 LDB: Largest compute 4801 load 0.026833 is 22.7% of average load 0.118200 LDB: Average compute 0.001730 is 1.5% of average load 0.118200 LDB: TIME 14368.9 LOAD: AVG 0.1182 MAX 0.214722 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.609 MB LDB: TIME 14368.9 LOAD: AVG 0.1182 MAX 0.214722 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: TIME 14368.9 LOAD: AVG 0.1182 MAX 0.214722 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14368.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14369 PRESSURE: 4776400 -169.486 18.2859 48.5064 18.2868 -13.4142 -7.71578 48.5056 -7.7151 29.0287 GPRESSURE: 4776400 -101.359 57.3403 58.2122 24.9076 42.3772 42.0781 -62.173 -142.73 13.8577 PRESSAVG: 4776400 -3.73558 -12.2323 8.84966 -12.2324 -6.45207 18.6598 8.84971 18.6598 44.7969 GPRESSAVG: 4776400 -3.58917 -12.9644 9.27632 -12.2249 -6.89758 19.6624 8.29374 18.6668 45.385 TIMING: 4776400 CPU: 14365.8, 0.003077/step Wall: 14365.8, 0.003077/step, 0.191116 hours remaining, 209.410156 MB of memory in use. ENERGY: 4776400 751.5062 2092.0229 1958.9902 118.2954 -205968.0573 17690.8891 0.0000 0.0000 34387.2436 -148969.1099 300.3124 -183356.3535 -148872.0494 300.4559 -51.2903 -15.0413 558218.7900 11.5364 11.6327 PRESSURE: 4776600 -305.586 -0.504001 213.882 -0.504064 -321.786 113.141 213.882 113.141 -143.163 GPRESSURE: 4776600 -304.134 -2.29884 233.5 13.1521 -248.219 86.21 126.506 154.997 -117.566 PRESSAVG: 4776600 -45.8895 -24.7197 57.6577 -24.7197 -65.747 37.0907 57.6577 37.0906 70.9016 GPRESSAVG: 4776600 -46.4587 -25.7841 59.0253 -22.8482 -65.2548 35.008 56.3425 38.6055 71.4613 TIMING: 4776600 CPU: 14366.4, 0.00300817/step Wall: 14366.4, 0.00300817/step, 0.186674 hours remaining, 209.410156 MB of memory in use. ENERGY: 4776600 764.4573 2109.0378 1938.7288 124.7082 -205861.9366 17561.3294 0.0000 0.0000 34451.9174 -148911.7576 300.8772 -183363.6750 -148813.1200 300.4486 -256.8453 -223.3064 559160.4642 -13.5783 -13.4174 PRESSURE: 4776800 81.2158 -6.81006 176.702 -6.80961 55.0362 -81.4807 176.702 -81.4788 1.9258 GPRESSURE: 4776800 126.275 3.09496 170.394 33.7376 85.1737 -102.042 65.7635 -98.5169 26.3583 PRESSAVG: 4776800 -20.3184 5.19728 97.9324 5.19728 -28.7127 19.0728 97.9325 19.0728 45.9115 GPRESSAVG: 4776800 -20.0049 5.326 96.4839 5.56779 -29.6693 18.3112 98.1535 19.2022 46.203 TIMING: 4776800 CPU: 14367, 0.00301836/step Wall: 14367, 0.00301836/step, 0.187139 hours remaining, 209.410156 MB of memory in use. ENERGY: 4776800 735.7732 2099.6534 1969.5139 119.5436 -206422.1428 18105.6092 0.0000 0.0000 34464.1973 -148927.8523 300.9844 -183392.0496 -148832.6769 300.3620 46.0593 79.2690 559554.4534 -1.0399 -1.1570 PRESSURE: 4777000 -30.504 52.778 42.4949 52.7786 -1.60231 -136.544 42.4949 -136.544 64.7794 GPRESSURE: 4777000 -2.72413 121.093 90.6597 7.39499 6.88909 59.6163 56.5127 -281.314 121.57 PRESSAVG: 4777000 -56.3002 3.48029 28.5657 3.48019 34.5926 -54.8464 28.5657 -54.8465 28.5273 GPRESSAVG: 4777000 -56.5153 2.26129 29.535 3.10065 34.8873 -52.9631 28.2093 -57.772 28.8367 TIMING: 4777000 CPU: 14367.6, 0.00299655/step Wall: 14367.6, 0.00299655/step, 0.185619 hours remaining, 209.410156 MB of memory in use. ENERGY: 4777000 753.9882 2080.3176 1937.4316 116.8548 -205891.4773 17696.0344 0.0000 0.0000 34461.1691 -148845.6816 300.9580 -183306.8507 -148759.1753 299.9683 10.8910 41.9116 558623.6914 2.2732 2.4029 PRESSURE: 4777200 -110.642 67.8537 -30.8412 67.8535 121.098 63.6094 -30.8419 63.6092 -126.472 GPRESSURE: 4777200 -37.5798 51.4088 -70.1024 56.0011 109.965 127.564 -73.3417 -33.1013 -104.515 PRESSAVG: 4777200 -50.0274 -31.1137 2.85885 -31.1137 -7.7709 3.87955 2.85892 3.87945 26.5584 GPRESSAVG: 4777200 -49.6845 -31.0642 2.80847 -31.0185 -8.50694 3.83109 4.24922 5.18701 27.0325 TIMING: 4777200 CPU: 14368.2, 0.00302443/step Wall: 14368.2, 0.00302443/step, 0.187179 hours remaining, 209.410156 MB of memory in use. ENERGY: 4777200 743.0165 2180.0032 1950.3708 124.7700 -206387.8199 17938.5934 0.0000 0.0000 34263.3625 -149187.7034 299.2305 -183451.0659 -149086.8643 299.8106 -38.6720 -10.7097 558324.7868 -10.4133 -10.3863 PRESSURE: 4777400 -70.2643 -48.4704 -40.1032 -48.4706 -61.2516 -173.513 -40.1015 -173.513 -139.87 GPRESSURE: 4777400 -118.352 -99.0479 -68.0161 -64.1255 -12.5396 -204.239 -5.51683 -222.336 -65.7393 PRESSAVG: 4777400 -92.9966 13.7492 -13.4591 13.7492 54.2517 -45.643 -13.459 -45.643 -2.29219 GPRESSAVG: 4777400 -93.2928 15.7037 -13.3762 14.2351 54.8657 -46.0694 -14.7891 -46.0367 -2.66825 TIMING: 4777400 CPU: 14368.8, 0.00305826/step Wall: 14368.8, 0.00305826/step, 0.189102 hours remaining, 209.410156 MB of memory in use. ENERGY: 4777400 786.9667 2079.6667 1931.5429 129.1307 -206393.9210 17807.2517 0.0000 0.0000 34517.8698 -149141.4925 301.4531 -183659.3623 -149045.5651 299.4355 -90.4621 -65.5435 558305.2709 -13.6790 -13.6984 PRESSURE: 4777600 143.284 5.79207 190.449 5.79138 -344.04 20.4996 190.449 20.5002 -42.4607 GPRESSURE: 4777600 51.7652 -58.327 145.093 40.1825 -245.135 -17.8038 145.814 22.5104 43.0283 PRESSAVG: 4777600 -71.5042 14.6158 56.3356 14.616 59.0331 -6.38762 56.3356 -6.38766 54.4591 GPRESSAVG: 4777600 -71.5371 12.7957 54.8273 13.8868 58.8061 -6.75651 58.5374 -5.95112 55.5131 TIMING: 4777600 CPU: 14369.5, 0.00305433/step Wall: 14369.5, 0.00305433/step, 0.18869 hours remaining, 209.410156 MB of memory in use. ENERGY: 4777600 756.0639 2089.1641 1948.8192 112.5066 -206081.0646 17776.7869 0.0000 0.0000 34341.5249 -149056.1990 299.9131 -183397.7239 -148963.1346 299.2870 -81.0722 -50.1137 556839.6293 13.9960 14.2607 PRESSURE: 4777800 -53.4367 50.5819 -31.7225 50.5818 339.108 -113.893 -31.7228 -113.892 73.4329 GPRESSURE: 4777800 -23.3908 4.5907 -54.2147 194.524 360.078 -106.935 -54.8049 -97.1244 135.823 PRESSAVG: 4777800 -59.176 29.5375 1.25545 29.5374 20.3875 -10.0786 1.25549 -10.0786 27.1477 GPRESSAVG: 4777800 -57.2188 29.5856 0.734452 29.6774 20.0352 -8.15689 1.68139 -10.3265 25.3258 TIMING: 4777800 CPU: 14370.1, 0.00304431/step Wall: 14370.1, 0.00304431/step, 0.187901 hours remaining, 209.410156 MB of memory in use. ENERGY: 4777800 732.1655 2094.2116 1944.1598 111.8289 -206311.5457 18005.6757 0.0000 0.0000 34481.2651 -148942.2390 301.1335 -183423.5041 -148843.9913 300.3340 119.7014 157.5035 558261.7964 -3.8802 -3.9526 PRESSURE: 4778000 44.8779 25.9332 -21.395 25.9328 131.681 8.57316 -21.3956 8.57495 -37.6345 GPRESSURE: 4778000 81.8549 31.0894 -0.292596 42.6843 98.2666 -17.5223 25.4685 110.995 46.7067 PRESSAVG: 4778000 -11.7502 -26.9235 -18.9155 -26.9235 1.61283 5.29138 -18.9154 5.29144 31.6669 GPRESSAVG: 4778000 -12.2127 -27.4838 -16.1635 -26.8352 1.4229 3.78838 -21.0455 5.17912 32.4843 TIMING: 4778000 CPU: 14370.7, 0.00300635/step Wall: 14370.7, 0.00300635/step, 0.185392 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: 4778000 732.0068 2106.6556 1943.6024 111.9966 -205673.7297 17633.0977 0.0000 0.0000 34321.2756 -148825.0949 299.7362 -183146.3705 -148731.3415 300.7965 46.3082 75.6094 557208.1309 7.1765 7.2315 PRESSURE: 4778200 -34.8656 -179.567 169.667 -179.568 -36.3908 -70.7855 169.667 -70.7871 -87.2093 GPRESSURE: 4778200 27.8488 -170.156 220.151 -151.134 -16.9194 14.2046 105.952 -137.645 -67.9696 PRESSAVG: 4778200 -14.0083 -31.9238 -22.366 -31.9239 -27.6663 -1.32226 -22.366 -1.32245 68.1668 GPRESSAVG: 4778200 -14.032 -28.2305 -23.6069 -32.3866 -26.5847 -0.0989501 -22.0773 -1.42857 67.7467 TIMING: 4778200 CPU: 14371.3, 0.00302554/step Wall: 14371.3, 0.00302554/step, 0.186407 hours remaining, 209.410156 MB of memory in use. ENERGY: 4778200 749.6896 2133.1716 1957.8676 121.0682 -205527.1992 17570.8323 0.0000 0.0000 34167.9429 -148826.6269 298.3971 -182994.5698 -148729.5508 300.0026 -52.8219 -19.0134 558384.7813 8.8308 9.0433 PRESSURE: 4778400 139.028 -217.433 11.9904 -217.432 -22.9024 31.3096 11.9906 31.3084 186.984 GPRESSURE: 4778400 215.891 -189.494 -24.9562 -123.946 -22.3925 38.8231 120.551 -4.57427 204.828 PRESSAVG: 4778400 0.290836 -40.2618 -9.81506 -40.2617 29.8034 9.86722 -9.81508 9.86713 -9.14014 GPRESSAVG: 4778400 0.430944 -42.4603 -10.7127 -40.0579 29.6683 8.81535 -8.01172 10.4759 -9.10991 TIMING: 4778400 CPU: 14371.9, 0.00302127/step Wall: 14371.9, 0.00302127/step, 0.185976 hours remaining, 209.410156 MB of memory in use. ENERGY: 4778400 750.3202 2101.7402 1947.5419 104.8859 -206270.8027 18062.8739 0.0000 0.0000 34582.8317 -148720.6089 302.0205 -183303.4406 -148628.1169 300.6308 101.0367 132.7752 556930.1495 6.9847 6.9965 PRESSURE: 4778600 -290.512 -103.178 37.3915 -103.177 -127.799 38.5321 37.3922 38.535 208.665 GPRESSURE: 4778600 -257.535 -111.719 96.72 -39.8417 -116.714 20.7952 49.8767 91.563 261.524 PRESSAVG: 4778600 -45.5883 -5.41692 31.566 -5.4169 -34.7214 7.0013 31.566 7.00127 26.5578 GPRESSAVG: 4778600 -44.6025 -6.02682 33.5676 -3.57662 -34.6437 7.31728 29.541 8.2095 26.1659 TIMING: 4778600 CPU: 14372.5, 0.00300548/step Wall: 14372.5, 0.00300548/step, 0.184837 hours remaining, 209.410156 MB of memory in use. ENERGY: 4778600 770.6101 2133.7769 1942.3585 101.8172 -205968.6167 17773.1079 0.0000 0.0000 34380.6987 -148866.2474 300.2552 -183246.9461 -148772.3454 300.5489 -69.8821 -37.5752 558666.0685 -17.9173 -17.6934 PRESSURE: 4778800 154.309 44.9336 -128.198 44.9336 139.211 -113.512 -128.198 -113.511 170.538 GPRESSURE: 4778800 224.694 27.0962 -112.777 101.374 142.064 -78.4767 -84.5349 -99.8183 193.747 PRESSAVG: 4778800 28.9432 26.538 36.9079 26.538 -8.98389 -15.0335 36.9079 -15.0335 50.6836 GPRESSAVG: 4778800 28.4459 25.938 36.1754 26.2456 -8.94139 -15.3644 39.3757 -15.2914 50.6602 TIMING: 4778800 CPU: 14373.1, 0.0030057/step Wall: 14373.1, 0.0030057/step, 0.184684 hours remaining, 209.410156 MB of memory in use. ENERGY: 4778800 718.7301 2145.3416 1946.8493 105.1866 -206245.5237 18075.2977 0.0000 0.0000 34444.5442 -148809.5742 300.8128 -183254.1184 -148708.4397 300.3418 154.6861 186.8348 557788.3171 23.5476 23.3882 PRESSURE: 4779000 323.595 -3.67747 132.434 -3.6774 387.424 28.7361 132.435 28.7373 198.972 GPRESSURE: 4779000 351.629 12.4185 191.667 11.8671 443.108 -37.0795 211.438 78.4551 210.019 PRESSAVG: 4779000 8.35342 2.15074 -18.7861 2.15075 8.2263 -12.7699 -18.786 -12.77 -24.8041 GPRESSAVG: 4779000 8.6191 4.35045 -17.6513 0.324788 8.20757 -13.9109 -21.1044 -13.8515 -25.0928 TIMING: 4779000 CPU: 14373.7, 0.00303176/step Wall: 14373.7, 0.00303176/step, 0.186116 hours remaining, 209.410156 MB of memory in use. ENERGY: 4779000 742.4089 2078.4869 1947.3230 119.7353 -206568.0007 18269.4254 0.0000 0.0000 34421.9695 -148988.6516 300.6156 -183410.6211 -148888.3238 300.0225 303.3304 334.9188 556805.0721 -2.7415 -2.7554 PRESSURE: 4779200 169.262 45.9757 180.184 45.975 -5.72833 -101.066 180.183 -101.066 -147.776 GPRESSURE: 4779200 207.689 24.4376 146.693 78.6489 17.7645 -82.4773 203.982 -149.973 -115.876 PRESSAVG: 4779200 68.802 10.0747 8.88296 10.0745 39.9812 -19.6487 8.88294 -19.6488 -107.787 GPRESSAVG: 4779200 69.1164 10.2538 7.87404 9.03019 39.7825 -20.0414 9.78433 -18.1434 -107.728 TIMING: 4779200 CPU: 14374.3, 0.00303441/step Wall: 14374.3, 0.00303441/step, 0.18611 hours remaining, 209.410156 MB of memory in use. ENERGY: 4779200 728.9827 2107.9594 1961.4676 112.3547 -206205.9425 17898.9769 0.0000 0.0000 34288.6025 -149107.5987 299.4509 -183396.2012 -149008.2448 299.7441 5.2526 36.5258 558376.7943 0.3321 0.3902 PRESSURE: 4779400 216.655 38.3567 52.9752 38.3569 196.061 -1.84415 52.9756 -1.84264 144.248 GPRESSURE: 4779400 282.502 118.413 70.2106 -16.5724 269.171 -60.249 79.6231 -31.7691 115.979 PRESSAVG: 4779400 -5.19888 -34.1362 -6.61188 -34.1362 -21.7112 13.3699 -6.61188 13.3698 -32.292 GPRESSAVG: 4779400 -5.02877 -36.4911 -5.79781 -31.0619 -22.9011 15.4012 -5.66743 11.1528 -31.4648 TIMING: 4779400 CPU: 14374.9, 0.00305726/step Wall: 14374.9, 0.00305726/step, 0.187342 hours remaining, 209.410156 MB of memory in use. ENERGY: 4779400 716.4453 2054.7431 1924.9756 112.8728 -206255.1643 18057.5838 0.0000 0.0000 34401.8565 -148986.6873 300.4400 -183388.5438 -148896.7222 299.4668 185.6548 222.5508 557088.7106 -19.7340 -19.7982 PRESSURE: 4779600 97.9266 63.4051 24.298 63.405 -52.3208 -116.563 24.2969 -116.564 -313.607 GPRESSURE: 4779600 152.463 166.863 95.4359 -22.429 -25.6619 -70.1742 104.428 -132.461 -309.423 PRESSAVG: 4779600 32.2452 -4.81749 -24.9402 -4.81749 17.2928 -11.8457 -24.9402 -11.8456 -36.4646 GPRESSAVG: 4779600 31.7388 -3.22185 -25.8156 -9.48361 17.3751 -13.4369 -25.5599 -13.286 -36.3067 TIMING: 4779600 CPU: 14375.5, 0.00302614/step Wall: 14375.5, 0.00302614/step, 0.185267 hours remaining, 209.410156 MB of memory in use. ENERGY: 4779600 756.0698 2070.0223 1924.0991 118.0481 -205924.3779 17697.6035 0.0000 0.0000 34300.3314 -149058.2037 299.5533 -183358.5351 -148961.2034 299.4796 -89.3336 -60.8741 558229.3729 4.3578 4.2691 PRESSURE: 4779800 13.5269 -15.3542 -173.019 -15.3532 -45.0348 -7.31312 -173.018 -7.31383 -455.315 GPRESSURE: 4779800 51.7292 -103.065 -139.615 -35.0922 -63.8667 -61.0567 -106.802 71.2411 -381.424 PRESSAVG: 4779800 -17.0038 2.1769 47.7777 2.1769 44.5927 40.1137 47.7777 40.1135 -72.1421 GPRESSAVG: 4779800 -16.8464 2.15497 45.4422 4.94279 44.1941 39.3609 48.8559 44.8187 -71.5802 TIMING: 4779800 CPU: 14376.1, 0.00304984/step Wall: 14376.1, 0.00304984/step, 0.186549 hours remaining, 209.410156 MB of memory in use. ENERGY: 4779800 752.9991 2075.2271 1948.8761 108.9098 -206059.0097 17609.1446 0.0000 0.0000 34492.8952 -149070.9579 301.2350 -183563.8531 -148975.0819 299.7130 -162.2743 -131.1873 557514.9624 -14.8511 -14.7442 PRESSURE: 4780000 32.1681 65.5636 -85.1852 65.5626 13.4675 18.5146 -85.1868 18.5133 -39.5527 GPRESSURE: 4780000 38.6015 -28.0692 -122.711 105.223 50.952 85.7189 -68.6868 -19.2068 2.05807 PRESSAVG: 4780000 12.2234 3.31948 46.2095 3.31935 14.3639 44.2278 46.2096 44.2278 3.00399 GPRESSAVG: 4780000 12.2968 1.277 50.0127 3.48405 14.0984 45.6996 44.1909 42.132 2.95371 TIMING: 4780000 CPU: 14376.7, 0.00305346/step Wall: 14376.7, 0.00305346/step, 0.1866 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: 4780000 745.8160 2063.9407 1939.4247 133.5716 -205831.4769 17723.4200 0.0000 0.0000 34154.9501 -149070.3537 298.2837 -183225.3038 -148979.4015 299.3772 2.0276 30.5372 557872.3530 9.8638 9.7830 PRESSURE: 4780200 -213.039 23.9656 -97.2728 23.9652 -199.172 50.3613 -97.2732 50.3624 -349.125 GPRESSURE: 4780200 -212.381 -15.9202 -66.4229 14.9829 -181.226 13.0667 -45.2127 44.8164 -270.081 PRESSAVG: 4780200 -29.3191 20.0222 7.61562 20.0222 16.6498 37.2773 7.6156 37.2772 47.714 GPRESSAVG: 4780200 -29.5291 21.4006 5.30651 20.8513 17.946 36.6187 9.19994 36.8519 46.831 TIMING: 4780200 CPU: 14377.3, 0.00303354/step Wall: 14377.3, 0.00303354/step, 0.185214 hours remaining, 209.410156 MB of memory in use. ENERGY: 4780200 776.0166 2056.7460 1931.0090 109.2513 -205886.2111 17497.9208 0.0000 0.0000 34386.7976 -149128.4700 300.3085 -183515.2675 -149032.3855 299.4394 -253.7784 -221.2295 557414.8746 11.6815 11.7493 LDB: ============= START OF LOAD BALANCING ============== 14380.8 LDB: ============== END OF LOAD BALANCING =============== 14380.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14380.8 LDB: ============= START OF LOAD BALANCING ============== 14381.1 LDB: Largest compute 4820 load 0.025933 is 22.0% of average load 0.118137 LDB: Average compute 0.001730 is 1.5% of average load 0.118137 LDB: TIME 14381.1 LOAD: AVG 0.118137 MAX 0.215533 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 210.113 MB LDB: TIME 14381.1 LOAD: AVG 0.118137 MAX 0.215533 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.184 MB LDB: TIME 14381.1 LOAD: AVG 0.118137 MAX 0.215533 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.184 MB LDB: ============== END OF LOAD BALANCING =============== 14381.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14381.1 PRESSURE: 4780400 152.707 -29.6064 -123.243 -29.6059 -18.0597 -86.1667 -123.244 -86.1666 -77.9664 GPRESSURE: 4780400 230.472 -16.7461 -143.846 -77.0535 43.1335 -178.411 -127.292 -104.072 -119.521 PRESSAVG: 4780400 -29.3102 -74.7909 45.4903 -74.791 45.68 -32.9335 45.4903 -32.9336 10.5558 GPRESSAVG: 4780400 -28.751 -74.5788 43.6176 -74.7737 45.6306 -31.4405 44.1882 -34.1615 10.5275 TIMING: 4780400 CPU: 14378, 0.00309239/step Wall: 14378, 0.00309239/step, 0.188636 hours remaining, 208.562500 MB of memory in use. ENERGY: 4780400 726.9822 2085.9645 1936.3459 119.6874 -205920.2139 17618.0601 0.0000 0.0000 34274.7748 -149158.3989 299.3301 -183433.1737 -149064.7428 299.1227 18.8938 51.3613 557181.2352 8.9752 9.1357 PRESSURE: 4780600 137.295 -142.572 -21.0421 -142.573 15.356 16.0252 -21.0428 16.0273 2.21861 GPRESSURE: 4780600 188.66 -93.3162 53.6495 -149.184 48.1546 108.814 -114.464 47.5242 29.1024 PRESSAVG: 4780600 57.5645 -30.9167 -16.4345 -30.9168 3.7641 10.5895 -16.4345 10.5895 -51.2103 GPRESSAVG: 4780600 56.7365 -33.2561 -15.7095 -30.7564 3.3513 9.27987 -16.1203 11.1347 -50.0329 TIMING: 4780600 CPU: 14378.6, 0.00304263/step Wall: 14378.6, 0.00304263/step, 0.185432 hours remaining, 208.765625 MB of memory in use. ENERGY: 4780600 731.9324 2030.7197 1940.4324 121.4913 -206051.7937 17796.5922 0.0000 0.0000 34295.6172 -149135.0085 299.5122 -183430.6257 -149033.2339 299.6905 51.6233 88.6392 557353.5679 3.3728 3.3516 PRESSURE: 4780800 -56.4197 -199.454 -29.2336 -199.453 -45.4966 108.258 -29.234 108.257 74.8021 GPRESSURE: 4780800 25.3782 -198.733 -47.4216 -187.046 -8.29735 -6.42662 6.34006 114.741 55.6945 PRESSAVG: 4780800 50.0302 -50.9239 -61.1014 -50.9239 -0.748737 29.4826 -61.1014 29.4826 -43.7472 GPRESSAVG: 4780800 50.755 -49.806 -58.8921 -53.1719 -0.667664 30.7895 -60.9917 30.7644 -43.938 TIMING: 4780800 CPU: 14379.2, 0.00301581/step Wall: 14379.2, 0.00301581/step, 0.183629 hours remaining, 208.765625 MB of memory in use. ENERGY: 4780800 778.2177 2052.4286 1983.2728 111.9765 -206262.1271 17739.4171 0.0000 0.0000 34390.8308 -149205.9836 300.3437 -183596.8144 -149111.8593 299.6770 -9.0381 24.2584 555120.0963 1.8448 2.0498 PRESSURE: 4781000 -441.109 72.9086 10.32 72.9093 31.6538 50.9065 10.3187 50.9057 -29.2186 GPRESSURE: 4781000 -429.464 28.0084 -45.8466 78.6374 101.175 82.0145 37.5072 1.0121 -2.80838 PRESSAVG: 4781000 50.0062 12.4301 31.2935 12.4301 -30.4858 48.2989 31.2935 48.2989 13.0841 GPRESSAVG: 4781000 49.7909 13.9628 29.2509 13.5623 -29.0699 46.2075 31.9757 47.2033 12.2833 TIMING: 4781000 CPU: 14379.8, 0.00301509/step Wall: 14379.8, 0.00301509/step, 0.183418 hours remaining, 208.765625 MB of memory in use. ENERGY: 4781000 730.7352 2037.4213 1952.8843 108.9025 -205792.1847 17547.8482 0.0000 0.0000 34252.4517 -149161.9414 299.1352 -183414.3931 -149065.6873 299.4224 -146.2244 -110.3658 557364.5941 10.8681 11.0014 PRESSURE: 4781200 -23.1066 158.641 -71.3578 158.642 -19.0652 301.335 -71.3566 301.335 -119.067 GPRESSURE: 4781200 25.7456 144.255 -42.7271 111.919 -37.7856 257.236 -88.2886 338.899 -60.5981 PRESSAVG: 4781200 7.53236 54.3937 -47.3604 54.3938 54.1589 24.674 -47.3604 24.6739 -13.2096 GPRESSAVG: 4781200 8.85098 52.1938 -46.0919 54.697 53.9504 26.6114 -49.4081 22.3563 -13.9574 TIMING: 4781200 CPU: 14380.4, 0.00297855/step Wall: 14380.4, 0.00297855/step, 0.18103 hours remaining, 208.765625 MB of memory in use. ENERGY: 4781200 727.8517 2080.6342 1934.7732 120.0987 -206129.1432 17698.4409 0.0000 0.0000 34299.4420 -149267.9025 299.5456 -183567.3445 -149166.7888 299.1457 -53.7462 -24.2127 555967.7060 16.1605 16.2814 PRESSURE: 4781400 87.3865 146.584 103.566 146.584 182.982 110.833 103.566 110.835 -26.8693 GPRESSURE: 4781400 138.598 298.662 34.0919 25.5843 195.755 64.6213 129.529 54.6684 -2.07065 PRESSAVG: 4781400 32.0661 16.777 -4.40852 16.777 28.6877 5.46118 -4.40853 5.46118 -57.6411 GPRESSAVG: 4781400 29.8192 19.8411 -5.5201 13.7964 29.8394 4.57412 -4.99929 6.50345 -56.4548 TIMING: 4781400 CPU: 14381, 0.00299544/step Wall: 14381, 0.00299544/step, 0.18189 hours remaining, 208.765625 MB of memory in use. ENERGY: 4781400 706.2430 2166.8082 1949.6749 115.5917 -206103.9864 17825.1633 0.0000 0.0000 34243.1436 -149097.3616 299.0539 -183340.5051 -149001.8522 300.0517 81.1663 110.7607 556143.6301 1.0376 1.0679 PRESSURE: 4781600 95.2077 122.124 -18.985 122.124 138.392 60.6398 -18.9849 60.6377 -3.36626 GPRESSURE: 4781600 149.636 123.552 9.05515 144.976 127.963 75.893 -31.0918 23.734 47.6284 PRESSAVG: 4781600 21.6245 15.431 9.13373 15.431 45.609 16.4808 9.13368 16.4807 -11.9179 GPRESSAVG: 4781600 23.3872 10.8393 10.6902 18.2161 43.9079 17.2326 10.518 16.7896 -11.7974 TIMING: 4781600 CPU: 14381.6, 0.00301123/step Wall: 14381.6, 0.00301123/step, 0.182681 hours remaining, 208.765625 MB of memory in use. ENERGY: 4781600 734.3117 2096.9995 1955.1947 120.6551 -206151.1343 17751.9852 0.0000 0.0000 34249.0634 -149242.9247 299.1056 -183491.9880 -149147.4505 299.5250 76.7443 108.4093 556634.7505 18.4385 18.4992 PRESSURE: 4781800 134.609 -99.9012 -2.58847 -99.9008 188.433 -218.373 -2.58901 -218.372 174.763 GPRESSURE: 4781800 202.067 -87.1037 26.7474 -135.879 212.027 -166.29 45.5101 -239.363 192.985 PRESSAVG: 4781800 -0.925788 27.6349 -25.9786 27.6349 46.7076 28.7515 -25.9786 28.7514 1.33622 GPRESSAVG: 4781800 -0.735439 30.0618 -24.7291 28.7381 47.6037 29.5342 -27.0663 29.3336 0.449852 TIMING: 4781800 CPU: 14382.2, 0.00302604/step Wall: 14382.2, 0.00302604/step, 0.183411 hours remaining, 208.765625 MB of memory in use. ENERGY: 4781800 738.6596 2157.9093 1931.8048 108.9424 -206332.2560 17972.9682 0.0000 0.0000 34117.4676 -149304.5042 297.9563 -183421.9718 -149213.0502 298.7783 165.9350 202.3599 554012.2968 15.7060 15.7727 PRESSURE: 4782000 36.462 -26.4378 -13.1939 -26.4388 293.782 86.8498 -13.1941 86.849 -48.6391 GPRESSURE: 4782000 41.4869 86.5438 -64.2007 -15.7607 289.43 128.447 -8.94243 95.3056 58.3599 PRESSAVG: 4782000 -60.6074 60.8135 0.234136 60.8135 11.2518 -5.02566 0.234096 -5.02578 22.2993 GPRESSAVG: 4782000 -60.188 61.7738 -1.48481 60.4697 10.3359 -6.68507 0.341996 -4.72004 23.9667 TIMING: 4782000 CPU: 14382.8, 0.00303406/step Wall: 14382.8, 0.00303406/step, 0.183729 hours remaining, 208.765625 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: 4782000 772.2146 2134.5150 1919.1646 123.5126 -206153.2863 17805.0734 0.0000 0.0000 34386.4521 -149012.3540 300.3054 -183398.8061 -148919.4539 299.6605 93.8683 129.7589 556309.3489 -9.0188 -8.6285 PRESSURE: 4782200 60.6139 -26.2936 -18.1279 -26.2935 164.508 40.2633 -18.1273 40.2642 -126.014 GPRESSURE: 4782200 88.6947 -130.753 -3.94764 90.2878 217.669 104.821 -134.806 26.7244 -118.198 PRESSAVG: 4782200 -16.599 -21.4036 2.4383 -21.4036 25.727 11.2272 2.43837 11.2273 -35.7523 GPRESSAVG: 4782200 -17.6584 -23.6969 1.49937 -23.333 26.259 10.7497 2.60358 12.3495 -35.7149 TIMING: 4782200 CPU: 14383.4, 0.00302539/step Wall: 14383.4, 0.00302539/step, 0.183036 hours remaining, 208.765625 MB of memory in use. ENERGY: 4782200 775.2837 2072.3224 1956.4484 122.3703 -205892.8219 17742.3383 0.0000 0.0000 34164.2847 -149059.7741 298.3652 -183224.0588 -148964.7797 299.6979 33.0360 62.7220 555098.2018 -8.8748 -9.0381 PRESSURE: 4782400 -447.494 220.315 -104.367 220.315 -100.884 -132.428 -104.366 -132.43 -76.9219 GPRESSURE: 4782400 -393.344 312.369 -114.099 209.323 -28.6457 -42.4304 -172.283 -187.01 -118.327 PRESSAVG: 4782400 -62.7952 28.1844 -31.348 28.1844 83.0173 33.3958 -31.3481 33.3958 14.5292 GPRESSAVG: 4782400 -61.4567 30.9871 -32.1656 28.5371 83.4182 35.1257 -30.1345 30.7595 12.8874 TIMING: 4782400 CPU: 14384, 0.00304999/step Wall: 14384, 0.00304998/step, 0.184355 hours remaining, 208.765625 MB of memory in use. ENERGY: 4782400 737.9386 2092.7909 1918.7887 112.3629 -205540.0659 17269.9906 0.0000 0.0000 34383.5308 -149024.6636 300.2799 -183408.1944 -148923.4879 299.9565 -208.4335 -180.1056 557273.1539 11.5837 11.6163 PRESSURE: 4782600 68.0595 -21.4835 -52.795 -21.4825 -114.316 -117.455 -52.795 -117.455 45.7412 GPRESSURE: 4782600 108.55 -24.3067 -44.2421 23.7891 -105.795 -85.3163 -120.368 -237.094 96.2769 PRESSAVG: 4782600 -4.02356 52.8775 43.0383 52.8775 48.4952 -28.4903 43.0384 -28.4902 -10.2714 GPRESSAVG: 4782600 -3.44361 52.395 44.3003 51.9795 47.9693 -28.2141 43.8327 -28.5222 -9.66812 TIMING: 4782600 CPU: 14384.6, 0.00304732/step Wall: 14384.6, 0.00304732/step, 0.184024 hours remaining, 208.765625 MB of memory in use. ENERGY: 4782600 782.8761 2064.6580 1939.2502 106.7402 -205985.3678 17638.1315 0.0000 0.0000 34361.5516 -149092.1603 300.0880 -183453.7119 -148997.7116 300.1052 -0.1717 33.0105 555662.9940 11.4001 11.6192 PRESSURE: 4782800 -6.16682 76.0581 6.18235 76.0587 -66.4119 -127.048 6.18227 -127.048 -204.07 GPRESSURE: 4782800 6.97641 52.2563 49.8771 126.665 -25.707 -204.62 -18.9019 -35.9867 -168.636 PRESSAVG: 4782800 -10.7399 56.2527 -69.7682 56.2527 31.6315 -55.6238 -69.7682 -55.6239 -5.33109 GPRESSAVG: 4782800 -11.4218 56.4027 -71.8963 56.3292 31.2477 -56.0036 -70.3093 -54.2079 -4.81927 TIMING: 4782800 CPU: 14385.2, 0.00306575/step Wall: 14385.2, 0.00306575/step, 0.184967 hours remaining, 208.765625 MB of memory in use. ENERGY: 4782800 758.8588 2144.1580 1956.9740 117.1240 -205996.9790 17513.9707 0.0000 0.0000 34283.1136 -149222.7799 299.4030 -183505.8935 -149128.0912 299.8945 -92.2162 -62.4557 555832.9413 5.1868 5.0022 PRESSURE: 4783000 -367.788 -37.1502 89.0715 -37.151 -7.52941 -149.041 89.0719 -149.043 21.1417 GPRESSURE: 4783000 -355.274 35.5312 57.986 -43.4805 57.5765 -171.104 113.052 -57.439 43.1137 PRESSAVG: 4783000 -28.7428 -45.3419 7.78654 -45.3418 45.4902 -20.6327 7.78663 -20.6327 -25.2543 GPRESSAVG: 4783000 -28.577 -47.02 10.05 -44.2152 46.0487 -21.7894 7.58965 -19.2923 -26.0825 TIMING: 4783000 CPU: 14385.8, 0.00307009/step Wall: 14385.8, 0.00307009/step, 0.185058 hours remaining, 208.765625 MB of memory in use. ENERGY: 4783000 753.6346 2079.6601 1945.6840 120.6223 -206098.8811 17589.6576 0.0000 0.0000 34240.3299 -149369.2925 299.0293 -183609.6224 -149268.6372 299.5210 -118.0587 -84.8611 557114.0945 -2.8356 -2.8703 PRESSURE: 4783200 116.983 16.863 26.9958 16.8621 37.4069 176.055 26.9961 176.053 -127.959 GPRESSURE: 4783200 85.8489 -1.73943 93.6243 48.4328 73.1491 91.3597 99.3808 138.431 -57.9665 PRESSAVG: 4783200 -78.265 -89.1547 22.443 -89.1547 53.1319 13.1678 22.443 13.1679 21.9652 GPRESSAVG: 4783200 -78.3408 -89.6953 22.2184 -89.6535 53.1199 10.8964 23.6447 12.0954 22.25 TIMING: 4783200 CPU: 14386.4, 0.0030846/step Wall: 14386.4, 0.0030846/step, 0.185761 hours remaining, 208.765625 MB of memory in use. ENERGY: 4783200 762.6764 2085.1444 1904.6588 120.2401 -206164.0903 17795.3040 0.0000 0.0000 34182.1274 -149313.9392 298.5210 -183496.0666 -149216.4008 298.7550 8.8101 33.6772 557425.6748 -1.0559 -0.9903 PRESSURE: 4783400 -67.3164 29.2651 55.38 29.266 70.2744 -5.2959 55.3784 -5.29671 243.186 GPRESSURE: 4783400 -44.5205 38.1446 85.5745 9.69157 123.728 -10.5207 129.685 -14.2773 260.639 PRESSAVG: 4783400 0.0118326 18.091 20.6471 18.0909 29.1524 7.10746 20.6472 7.10737 -51.1462 GPRESSAVG: 4783400 -0.470387 18.9696 22.1624 18.0656 29.4124 9.31514 18.36 5.20469 -50.9624 TIMING: 4783400 CPU: 14387.1, 0.00308715/step Wall: 14387.1, 0.00308715/step, 0.185743 hours remaining, 208.765625 MB of memory in use. ENERGY: 4783400 730.3746 2063.7775 1950.5582 105.1595 -206704.3580 18126.7182 0.0000 0.0000 34455.6170 -149272.1530 300.9095 -183727.7700 -149167.0476 298.6265 82.0481 113.2820 557930.4442 -7.3273 -7.3401 PRESSURE: 4783600 -73.1919 -41.7982 66.8654 -41.7973 297.075 21.7101 66.865 21.71 -41.8504 GPRESSURE: 4783600 -24.9007 -10.1495 -10.0762 38.7682 354.538 144.279 98.3296 24.7387 -50.1658 PRESSAVG: 4783600 29.8854 26.8724 22.4063 26.8725 -22.3431 6.74884 22.4064 6.74888 -31.8093 GPRESSAVG: 4783600 31.2427 27.5669 19.5309 26.3922 -22.8104 8.13267 23.4583 8.88361 -32.2297 TIMING: 4783600 CPU: 14387.7, 0.00304017/step Wall: 14387.7, 0.00304017/step, 0.182748 hours remaining, 208.765625 MB of memory in use. ENERGY: 4783600 733.5044 2140.9365 1949.6308 118.6896 -206598.5909 17979.8748 0.0000 0.0000 34310.6074 -149365.3474 299.6431 -183675.9548 -149272.0302 299.0197 60.6775 93.1571 557410.5428 -8.0890 -7.9325 PRESSURE: 4783800 103.013 45.6716 73.7489 45.6711 124.277 25.467 73.7498 25.4678 99.5156 GPRESSURE: 4783800 207.221 111.532 49.5483 30.6221 84.7645 61.5214 85.1426 82.7393 135.911 PRESSAVG: 4783800 -60.0853 43.8024 58.3218 43.8023 63.2456 -0.783917 58.3218 -0.783932 4.91751 GPRESSAVG: 4783800 -61.8315 44.4054 59.9527 43.5697 63.3248 -3.09344 59.0346 -0.408886 5.76979 TIMING: 4783800 CPU: 14388.3, 0.00303407/step Wall: 14388.3, 0.00303407/step, 0.182213 hours remaining, 208.765625 MB of memory in use. ENERGY: 4783800 750.9122 2131.1368 1925.8577 124.2601 -206656.7049 18114.4476 0.0000 0.0000 34237.5747 -149372.5157 299.0053 -183610.0904 -149280.4005 299.3150 108.9349 142.6321 557625.1679 2.6926 2.4210 PRESSURE: 4784000 -253.384 140.521 132.514 140.521 -72.4797 129.545 132.514 129.547 -355.126 GPRESSURE: 4784000 -264.375 237.592 229.111 112.765 -47.164 218.18 77.1296 101.813 -278.26 PRESSAVG: 4784000 -51.8046 38.4932 86.9196 38.4932 76.874 -5.87164 86.9196 -5.87155 -23.4856 GPRESSAVG: 4784000 -51.3734 35.6651 85.9948 38.83 77.7535 -7.26327 87.1518 -5.34192 -24.4753 TIMING: 4784000 CPU: 14388.9, 0.00302056/step Wall: 14388.9, 0.00302056/step, 0.181234 hours remaining, 208.765625 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: 4784000 731.3605 2131.0538 1921.5844 112.0994 -206043.9645 17526.6950 0.0000 0.0000 34262.2995 -149358.8718 299.2212 -183621.1714 -149265.7810 298.9061 -226.9965 -196.5996 559012.1843 0.5279 0.6349 PRESSURE: 4784200 -458.584 -28.7374 -60.8356 -28.7381 74.8848 6.62861 -60.8355 6.6292 -229.978 GPRESSURE: 4784200 -422.632 -34.4156 -61.2355 -29.9473 109.932 -0.480878 -133.714 -56.6237 -213.634 PRESSAVG: 4784200 -73.662 15.3239 19.9459 15.3238 79.8967 -17.6215 19.946 -17.6215 -28.2932 GPRESSAVG: 4784200 -73.7324 16.5126 19.443 15.1228 78.4089 -16.2542 17.8972 -17.5938 -26.8665 TIMING: 4784200 CPU: 14389.5, 0.0030659/step Wall: 14389.5, 0.0030659/step, 0.183784 hours remaining, 208.765625 MB of memory in use. ENERGY: 4784200 749.4815 2118.6857 1951.8476 118.4903 -206074.6492 17606.1766 0.0000 0.0000 34106.0779 -149423.8897 297.8569 -183529.9676 -149327.6459 298.4053 -204.5592 -175.4446 558174.0473 -7.3528 -7.3967 LDB: ============= START OF LOAD BALANCING ============== 14392.9 LDB: ============== END OF LOAD BALANCING =============== 14392.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14392.9 LDB: ============= START OF LOAD BALANCING ============== 14393.2 LDB: Largest compute 4820 load 0.029214 is 24.7% of average load 0.118176 LDB: Average compute 0.001733 is 1.5% of average load 0.118176 LDB: TIME 14393.2 LOAD: AVG 0.118176 MAX 0.211814 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.777 MB LDB: TIME 14393.2 LOAD: AVG 0.118176 MAX 0.211814 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.98 MB LDB: TIME 14393.2 LOAD: AVG 0.118176 MAX 0.211814 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.98 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14393.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14393.2 PRESSURE: 4784400 119.041 43.1755 -69.3699 43.1756 222.912 90.9295 -69.3697 90.9289 332.445 GPRESSURE: 4784400 174.204 78.7897 -58.8147 -76.6336 297.289 164.169 -83.6124 8.78543 311.397 PRESSAVG: 4784400 -36.9878 16.1807 -14.8974 16.1808 99.0823 0.64741 -14.8974 0.647428 -28.0757 GPRESSAVG: 4784400 -37.1915 14.1195 -13.3333 15.5057 100.125 1.03069 -14.0195 -0.455052 -28.891 TIMING: 4784400 CPU: 14390.1, 0.00311326/step Wall: 14390.1, 0.00311325/step, 0.186449 hours remaining, 207.718750 MB of memory in use. ENERGY: 4784400 765.5924 2141.0383 1956.2663 109.5845 -206584.4155 18092.7153 0.0000 0.0000 34126.4976 -149392.7211 298.0352 -183519.2188 -149302.2043 299.2037 224.7994 260.9635 556278.2962 11.3396 11.3477 PRESSURE: 4784600 -150.478 -41.1241 108.767 -41.1247 -242.036 -219.936 108.767 -219.936 -118.836 GPRESSURE: 4784600 -192.262 16.8258 76.4986 -45.1199 -160.314 -140.888 77.1533 -254.852 -64.0582 PRESSAVG: 4784600 -14.1152 8.05634 7.80055 8.05641 79.7209 -34.2494 7.80051 -34.2494 -97.3371 GPRESSAVG: 4784600 -13.6377 9.75597 6.85429 8.42464 79.2132 -34.8634 9.12953 -33.4585 -97.8297 TIMING: 4784600 CPU: 14390.7, 0.00305037/step Wall: 14390.7, 0.00305037/step, 0.182514 hours remaining, 207.718750 MB of memory in use. ENERGY: 4784600 720.2573 2157.7487 1961.5731 125.0043 -206077.2431 17510.1601 0.0000 0.0000 34141.6290 -149460.8706 298.1673 -183602.4996 -149370.5824 299.0497 -170.4500 -138.8782 557589.1133 -10.5771 -10.7514 PRESSURE: 4784800 -75.4948 286.212 140.492 286.212 3.89405 108.103 140.492 108.103 -189.632 GPRESSURE: 4784800 -70.0823 260.156 168.401 357.6 64.9507 24.4013 101.368 112.864 -140.082 PRESSAVG: 4784800 -6.59686 84.822 72.5932 84.822 -16.5785 -24.2974 72.5932 -24.2974 7.07146 GPRESSAVG: 4784800 -6.07631 83.9746 73.136 85.6619 -17.4732 -23.7863 71.3645 -24.3559 7.14941 TIMING: 4784800 CPU: 14391.3, 0.00304499/step Wall: 14391.3, 0.00304499/step, 0.182023 hours remaining, 207.718750 MB of memory in use. ENERGY: 4784800 764.3494 2084.1221 1965.4944 108.0934 -205995.7857 17523.1705 0.0000 0.0000 33946.7683 -149603.7876 296.4656 -183550.5559 -149510.9844 298.6817 -87.0777 -48.4044 558170.8663 -5.3680 -5.4667 PRESSURE: 4785000 -57.1511 5.2778 124.443 5.27726 -105.599 -32.8631 124.443 -32.8653 -108.49 GPRESSURE: 4785000 4.66886 32.2665 145.832 55.6987 -116.609 -114.804 130.873 53.2948 -57.8497 PRESSAVG: 4785000 -1.57922 -21.4947 -16.9545 -21.4947 -3.88792 7.85351 -16.9544 7.85362 26.8769 GPRESSAVG: 4785000 -2.36557 -21.6051 -14.4022 -23.8121 -2.95893 6.13217 -18.9541 7.84816 27.3343 TIMING: 4785000 CPU: 14391.9, 0.00303313/step Wall: 14391.9, 0.00303313/step, 0.181145 hours remaining, 207.718750 MB of memory in use. ENERGY: 4785000 770.6576 2090.0891 1958.8577 105.4482 -206261.0262 17722.1594 0.0000 0.0000 33962.0314 -149651.7827 296.5989 -183613.8141 -149558.3358 298.1805 -90.4134 -56.5968 559653.8138 7.1366 7.3366 PRESSURE: 4785200 -87.5484 -48.1985 44.4622 -48.1976 133.213 8.89353 44.4607 8.89341 128.394 GPRESSURE: 4785200 -68.4229 59.0807 2.24314 -194.259 202.351 -93.1307 70.621 152.646 130.876 PRESSAVG: 4785200 -33.2985 -9.2802 28.9104 -9.28022 22.8888 -21.7054 28.9104 -21.7055 27.8925 GPRESSAVG: 4785200 -33.0588 -9.03244 25.4513 -7.98055 23.1876 -19.9617 31.1918 -23.6593 27.0431 TIMING: 4785200 CPU: 14392.5, 0.00302839/step Wall: 14392.5, 0.00302839/step, 0.180694 hours remaining, 207.718750 MB of memory in use. ENERGY: 4785200 725.6474 2078.7097 1956.3291 122.1888 -206801.9459 18085.1466 0.0000 0.0000 34367.5910 -149466.3332 300.1407 -183833.9242 -149374.2550 299.1395 58.0195 88.2678 557944.5886 5.8276 5.7240 PRESSURE: 4785400 -381.662 -109.214 -19.5497 -109.214 -96.8617 15.9601 -19.5497 15.9593 -90.473 GPRESSURE: 4785400 -317.639 6.05185 -29.1048 -95.526 -47.3722 -17.2146 -82.6176 0.475676 -95.3302 PRESSAVG: 4785400 39.4382 20.1242 7.93011 20.1242 -20.1463 27.9921 7.93005 27.9921 -17.6793 GPRESSAVG: 4785400 39.3163 20.0677 10.1563 20.2889 -20.9756 28.1034 6.97285 28.5254 -16.8106 TIMING: 4785400 CPU: 14393.2, 0.00303395/step Wall: 14393.2, 0.00303395/step, 0.180857 hours remaining, 207.718750 MB of memory in use. ENERGY: 4785400 748.9462 2076.5508 1939.1804 106.7832 -206211.5978 17746.8837 0.0000 0.0000 34312.9075 -149280.3460 299.6632 -183593.2535 -149179.2235 298.5052 -189.6655 -153.4470 559527.9213 0.5376 0.5100 PRESSURE: 4785600 6.37326 -5.9307 14.1896 -5.93103 -97.0661 179.217 14.1902 179.217 -31.4098 GPRESSURE: 4785600 19.7787 35.6236 -11.1787 -79.5669 -59.3165 349.154 91.0456 151.348 15.8868 PRESSAVG: 4785600 15.2619 -12.2071 -15.859 -12.2071 2.01233 63.5439 -15.859 63.544 23.0246 GPRESSAVG: 4785600 14.5029 -10.6821 -15.6083 -12.4294 1.99169 65.2282 -16.6669 63.1074 23.8388 TIMING: 4785600 CPU: 14393.8, 0.00302119/step Wall: 14393.8, 0.00302119/step, 0.179929 hours remaining, 207.718750 MB of memory in use. ENERGY: 4785600 794.1288 2089.5208 1916.0843 121.0984 -206532.6034 17933.1357 0.0000 0.0000 34284.2060 -149394.4294 299.4125 -183678.6354 -149297.6350 298.5491 -40.7009 -7.8837 559471.4089 13.4329 13.4445 PRESSURE: 4785800 61.2154 -98.4178 58.7817 -98.421 -212.762 30.8301 58.7812 30.8287 195.283 GPRESSURE: 4785800 66.7458 -144.903 67.6814 -121.459 -160.874 69.5322 -1.94587 11.4172 233.987 PRESSAVG: 4785800 -2.91064 -57.4906 5.64452 -57.4906 -40.0524 -8.95564 5.64457 -8.95559 2.82874 GPRESSAVG: 4785800 -2.25178 -57.9243 4.47 -58.2913 -40.2939 -10.1475 7.34578 -8.39976 2.77667 TIMING: 4785800 CPU: 14394.4, 0.0029935/step Wall: 14394.4, 0.0029935/step, 0.178113 hours remaining, 207.718750 MB of memory in use. ENERGY: 4785800 761.7308 2134.2589 1926.8082 130.2373 -206357.9655 18041.1829 0.0000 0.0000 34087.9798 -149275.7675 297.6988 -183363.7473 -149183.6138 298.9256 14.5788 46.6196 558413.4069 -13.3781 -13.2563 PRESSURE: 4786000 -343.974 -135.858 169.392 -135.857 -122.714 48.5851 169.392 48.5867 -27.3878 GPRESSURE: 4786000 -311.949 -160.553 81.7559 -84.5946 -76.0283 60.5729 289.425 69.2318 -11.884 PRESSAVG: 4786000 85.9596 -21.8542 -3.55159 -21.8542 -19.9916 19.9326 -3.55165 19.9327 -21.3288 GPRESSAVG: 4786000 86.849 -22.3262 -3.17677 -20.5106 -19.5353 19.5284 -3.10833 20.0373 -22.8089 TIMING: 4786000 CPU: 14395, 0.00301891/step Wall: 14395, 0.00301891/step, 0.179458 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: 4786000 760.4358 2069.0963 1916.6292 112.2705 -206292.6094 17793.6674 0.0000 0.0000 34294.0336 -149346.4767 299.4983 -183640.5102 -149248.3336 299.0902 -164.6918 -133.2871 558595.2659 14.8797 14.8349 PRESSURE: 4786200 -63.3924 -37.9671 -7.98741 -37.9664 12.9442 -83.6847 -7.9866 -83.6837 27.1191 GPRESSURE: 4786200 -90.8087 -52.2269 -47.3057 -0.132749 91.4636 -78.3655 -13.5636 -111.52 72.9196 PRESSAVG: 4786200 26.2225 -47.1482 -7.63218 -47.1481 -43.8586 65.6737 -7.63217 65.6738 27.1411 GPRESSAVG: 4786200 25.035 -45.6607 -9.75752 -47.9003 -44.0332 64.5334 -9.35135 66.2381 28.0963 TIMING: 4786200 CPU: 14395.6, 0.00302506/step Wall: 14395.6, 0.00302506/step, 0.179655 hours remaining, 207.718750 MB of memory in use. ENERGY: 4786200 740.7407 2122.3242 1935.8655 116.5864 -206389.1556 17886.4788 0.0000 0.0000 34260.4320 -149326.7280 299.2049 -183587.1600 -149233.0247 298.4448 -7.7764 24.5248 557973.5052 3.1684 3.0327 PRESSURE: 4786400 163.77 90.7912 127.174 90.7907 249.696 -106.989 127.174 -106.989 68.9628 GPRESSURE: 4786400 174.475 36.3766 18.6827 96.3445 295.425 -235.976 139.548 -6.69189 112.511 PRESSAVG: 4786400 28.7979 3.38557 23.6735 3.38555 17.4525 6.94188 23.6734 6.94187 -68.9082 GPRESSAVG: 4786400 28.1972 2.70167 23.971 4.00805 17.5325 9.1496 25.5012 5.46761 -69.4343 TIMING: 4786400 CPU: 14396.2, 0.0030295/step Wall: 14396.2, 0.0030295/step, 0.17975 hours remaining, 207.718750 MB of memory in use. ENERGY: 4786400 719.7064 2116.7266 1964.5296 114.3782 -206562.2555 17988.6987 0.0000 0.0000 34255.3191 -149402.8969 299.1602 -183658.2160 -149305.1179 298.1796 160.8097 194.1367 557243.4309 -7.5526 -7.9015 PRESSURE: 4786600 -341.243 82.0613 -98.4107 82.0615 -102.098 -76.7827 -98.4102 -76.784 -97.1331 GPRESSURE: 4786600 -269.214 85.5888 -82.8099 53.1083 -148.888 -108.894 -108.546 -73.8542 -27.0967 PRESSAVG: 4786600 18.6248 5.66019 -38.5343 5.66015 -9.58492 -21.9571 -38.5342 -21.9571 -2.45322 GPRESSAVG: 4786600 18.1845 3.95355 -35.9387 6.13213 -9.6942 -21.6584 -41.2303 -22.211 -1.93425 TIMING: 4786600 CPU: 14396.8, 0.00303201/step Wall: 14396.8, 0.00303201/step, 0.179731 hours remaining, 207.718750 MB of memory in use. ENERGY: 4786600 784.8749 2089.5392 1954.7658 127.7275 -206068.5603 17712.3350 0.0000 0.0000 34152.4803 -149246.8377 298.2621 -183399.3180 -149153.0660 298.8778 -180.1582 -148.3998 560222.9369 2.1956 2.1853 PRESSURE: 4786800 104.279 -110.52 72.6071 -110.519 -181.596 108.543 72.6067 108.543 274.658 GPRESSURE: 4786800 188.461 -119.071 114.949 -121.185 -138.826 137.806 112.579 125.072 242.96 PRESSAVG: 4786800 -12.0579 23.3294 -21.8497 23.3294 21.9157 10.6597 -21.8496 10.6596 -5.44798 GPRESSAVG: 4786800 -10.7812 24.5834 -23.2476 23.1657 20.9851 10.6706 -18.5179 11.6319 -5.87192 TIMING: 4786800 CPU: 14397.4, 0.00304099/step Wall: 14397.4, 0.00304099/step, 0.180094 hours remaining, 207.718750 MB of memory in use. ENERGY: 4786800 760.8697 2119.0517 1929.7034 108.3322 -206834.3854 18215.4137 0.0000 0.0000 34197.8576 -149503.1572 298.6584 -183701.0148 -149410.1192 298.5737 65.7804 97.5317 558593.7158 1.4699 1.4440 PRESSURE: 4787000 -88.5171 127.44 -6.03185 127.441 58.5491 -16.811 -6.03289 -16.8106 16.0236 GPRESSURE: 4787000 -68.4116 102.29 -93.8598 167.096 88.3239 -94.9322 31.8175 -82.9072 65.611 PRESSAVG: 4787000 23.0702 -3.22423 -82.8225 -3.22421 -69.928 -19.5933 -82.8224 -19.5932 20.257 GPRESSAVG: 4787000 21.6763 -3.67552 -80.8884 -3.46275 -68.6194 -21.7118 -86.2072 -19.9164 20.7518 TIMING: 4787000 CPU: 14398, 0.00302377/step Wall: 14398, 0.00302377/step, 0.178907 hours remaining, 207.718750 MB of memory in use. ENERGY: 4787000 741.1402 2093.1135 1955.7537 113.0871 -206232.1820 17857.1288 0.0000 0.0000 34206.4807 -149265.4781 298.7337 -183471.9588 -149167.7787 298.5335 -4.6481 28.5078 558477.7102 -8.8670 -8.7304 PRESSURE: 4787200 -104.858 -13.7494 -60.4041 -13.7499 -100.252 -53.0417 -60.4051 -53.0431 -106.404 GPRESSURE: 4787200 -51.9534 -64.4872 -38.744 34.5625 -61.3497 -182.826 -153.533 -29.2526 -110.752 PRESSAVG: 4787200 31.0317 5.23227 54.0314 5.23219 -16.4469 -47.2116 54.0314 -47.2116 15.7133 GPRESSAVG: 4787200 31.7856 6.45333 53.4961 5.61506 -17.3272 -46.9275 56.6284 -43.7785 16.3021 TIMING: 4787200 CPU: 14398.6, 0.00302955/step Wall: 14398.6, 0.00302955/step, 0.17908 hours remaining, 207.718750 MB of memory in use. ENERGY: 4787200 778.3630 2100.9714 1968.5313 116.5095 -206168.2040 17717.5904 0.0000 0.0000 34389.1497 -149097.0887 300.3290 -183486.2384 -149007.1555 299.5651 -103.8379 -74.6850 558959.2042 10.0994 10.2535 PRESSURE: 4787400 133.164 108.814 57.1419 108.814 75.2778 36.3208 57.1418 36.3211 -66.9307 GPRESSURE: 4787400 164.932 125.156 1.03735 66.4055 55.5547 54.337 108.456 14.298 14.6759 PRESSAVG: 4787400 25.3063 21.3661 8.01705 21.3661 -33.8528 25.6231 8.01713 25.6232 16.2751 GPRESSAVG: 4787400 25.7423 20.7068 6.36273 21.4693 -32.5354 26.809 7.86256 23.1085 15.0378 TIMING: 4787400 CPU: 14399.2, 0.00302538/step Wall: 14399.2, 0.00302538/step, 0.178665 hours remaining, 207.718750 MB of memory in use. ENERGY: 4787400 793.0872 2114.6186 1931.4171 115.8730 -206356.8108 17930.0829 0.0000 0.0000 34274.0383 -149197.6937 299.3237 -183471.7321 -149105.9440 299.1402 47.1704 78.3875 555966.5972 2.5762 2.7482 PRESSURE: 4787600 31.622 68.8338 -71.0698 68.8342 -64.0208 148.865 -71.0699 148.864 -97.6321 GPRESSURE: 4787600 36.4778 46.2039 -166.939 61.3299 -1.69978 128.64 7.15926 148.576 -68.6013 PRESSAVG: 4787600 -38.5099 20.8441 -16.1317 20.8441 5.11301 43.0991 -16.1317 43.0991 33.4382 GPRESSAVG: 4787600 -38.6725 18.7354 -16.5901 21.4752 4.75324 42.9009 -17.6824 44.0383 33.6906 TIMING: 4787600 CPU: 14399.8, 0.00299992/step Wall: 14399.8, 0.00299992/step, 0.176996 hours remaining, 207.718750 MB of memory in use. ENERGY: 4787600 802.9963 2076.8158 1948.6341 117.6043 -206588.8917 17991.0302 0.0000 0.0000 34179.9411 -149471.8700 298.5019 -183651.8110 -149377.9886 298.4419 -43.3437 -11.2744 557128.8654 0.0138 -0.0762 PRESSURE: 4787800 -347.297 62.1847 39.5735 62.1849 -135.373 156.139 39.5729 156.139 -236.768 GPRESSURE: 4787800 -254.759 73.283 23.4211 53.8273 -146.772 206.445 126.396 121.097 -211.511 PRESSAVG: 4787800 -30.2342 -14.7926 29.0982 -14.7927 -10.4317 -51.2927 29.0983 -51.2927 21.4011 GPRESSAVG: 4787800 -30.8273 -14.143 30.9432 -14.609 -9.55358 -52.8961 27.8796 -53.0752 21.3003 TIMING: 4787800 CPU: 14400.4, 0.00299692/step Wall: 14400.4, 0.00299692/step, 0.176652 hours remaining, 207.718750 MB of memory in use. ENERGY: 4787800 779.2695 2106.4271 1963.2258 109.0293 -206115.2157 17685.4396 0.0000 0.0000 34051.8089 -149420.0155 297.3829 -183471.8244 -149335.9056 298.7960 -239.8127 -204.3474 558487.3702 -6.4216 -6.3602 PRESSURE: 4788000 -67.852 1.41558 -233.082 1.41527 -162.657 74.3984 -233.081 74.3979 -46.6915 GPRESSURE: 4788000 -19.3261 48.0893 -265.779 16.186 -111.578 97.1844 -183.355 104.828 -33.6808 PRESSAVG: 4788000 -23.0441 -12.0208 3.40013 -12.0208 69.1194 2.81821 3.40016 2.81828 -47.963 GPRESSAVG: 4788000 -21.5488 -11.0111 3.70104 -12.3653 68.6582 0.882367 5.92358 4.56971 -48.7111 TIMING: 4788000 CPU: 14401, 0.00300325/step Wall: 14401, 0.00300325/step, 0.176858 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: 4788000 744.9773 2134.2210 1951.5630 132.2606 -205924.4393 17566.8736 0.0000 0.0000 34037.4912 -149357.0525 297.2579 -183394.5438 -149265.6143 297.8327 -92.4003 -54.8616 557054.4771 -0.6292 -0.5339 PRESSURE: 4788200 -18.8007 106.559 -67.7722 106.559 -10.2331 209.439 -67.7722 209.441 -47.0975 GPRESSURE: 4788200 51.3329 36.3355 -87.4378 94.688 3.93324 121.615 -89.6511 220.058 -31.0249 PRESSAVG: 4788200 61.8867 -20.9844 49.5568 -20.9844 -50.284 13.905 49.5568 13.9049 6.08395 GPRESSAVG: 4788200 60.5963 -20.8121 50.3619 -23.0648 -50.1573 14.0447 46.1618 14.069 7.44934 TIMING: 4788200 CPU: 14401.6, 0.0030146/step Wall: 14401.6, 0.0030146/step, 0.177359 hours remaining, 207.718750 MB of memory in use. ENERGY: 4788200 757.3211 2087.5032 1927.7353 109.7008 -206168.1446 17577.4239 0.0000 0.0000 34353.2245 -149355.2359 300.0153 -183708.4604 -149255.2025 297.9857 -25.3771 8.0804 555785.5327 5.8956 5.9628 LDB: ============= START OF LOAD BALANCING ============== 14405 LDB: ============== END OF LOAD BALANCING =============== 14405 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14405 LDB: ============= START OF LOAD BALANCING ============== 14405.3 LDB: Largest compute 4820 load 0.028429 is 24.1% of average load 0.118139 LDB: Average compute 0.001735 is 1.5% of average load 0.118139 LDB: TIME 14405.3 LOAD: AVG 0.118139 MAX 0.212264 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.934 MB LDB: TIME 14405.3 LOAD: AVG 0.118139 MAX 0.212264 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.137 MB LDB: TIME 14405.3 LOAD: AVG 0.118139 MAX 0.212264 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.137 MB LDB: ============== END OF LOAD BALANCING =============== 14405.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14405.4 PRESSURE: 4788400 358.685 -144.097 -121.195 -144.097 11.1294 81.9675 -121.194 81.9685 -7.97559 GPRESSURE: 4788400 353.97 -157.482 -190.845 -126.556 56.4207 102.043 -105.981 70.9286 42.7605 PRESSAVG: 4788400 49.6795 -63.0262 -24.9836 -63.0261 36.2116 36.6077 -24.9837 36.6077 -14.7416 GPRESSAVG: 4788400 51.6365 -62.3964 -24.9199 -63.3287 34.7475 37.0056 -21.8201 37.5715 -15.4545 TIMING: 4788400 CPU: 14402.2, 0.00308438/step Wall: 14402.2, 0.00308438/step, 0.181293 hours remaining, 209.203125 MB of memory in use. ENERGY: 4788400 768.9114 2078.2567 1936.8943 116.8329 -206287.8435 17800.7761 0.0000 0.0000 34181.9305 -149404.2417 298.5193 -183586.1721 -149305.1937 298.5540 120.6128 151.0504 555618.7827 23.7165 23.6432 PRESSURE: 4788600 -27.6555 -58.2554 21.0559 -58.255 284.981 50.6812 21.0545 50.6827 31.531 GPRESSURE: 4788600 80.6843 -13.1852 132.59 -91.8066 194.816 63.5636 -49.7964 19.856 113.531 PRESSAVG: 4788600 78.0435 10.8831 -19.9836 10.8832 -4.69763 39.3302 -19.9836 39.3302 -37.219 GPRESSAVG: 4788600 77.3193 10.9839 -19.5134 9.30721 -3.05353 39.6309 -21.3251 37.5451 -38.3496 TIMING: 4788600 CPU: 14402.8, 0.00301589/step Wall: 14402.8, 0.00301589/step, 0.1771 hours remaining, 209.273438 MB of memory in use. ENERGY: 4788600 725.2083 2104.4725 1948.5364 125.6900 -206309.8922 17878.7017 0.0000 0.0000 34262.9006 -149264.3827 299.2264 -183527.2834 -149162.9292 299.6751 96.2854 129.6771 556735.0515 12.0423 11.9721 PRESSURE: 4788800 -172.933 -62.3714 -91.5576 -62.3703 -276.851 -215.971 -91.5576 -215.971 -331.03 GPRESSURE: 4788800 -130.531 -16.7694 -177.263 -85.631 -283.089 -275.157 -21.4205 -201.354 -268.653 PRESSAVG: 4788800 4.33293 -54.3915 -10.1586 -54.3915 26.4695 -3.79571 -10.1586 -3.79569 -3.70525 GPRESSAVG: 4788800 3.68541 -57.3712 -10.5258 -52.3757 25.7917 -3.69555 -9.45126 -1.65757 -2.30348 TIMING: 4788800 CPU: 14403.4, 0.0030478/step Wall: 14403.4, 0.0030478/step, 0.178804 hours remaining, 209.273438 MB of memory in use. ENERGY: 4788800 795.4375 2054.9721 1937.1710 116.8465 -205776.8128 17442.8280 0.0000 0.0000 34262.7836 -149166.7741 299.2254 -183429.5577 -149071.3632 299.6017 -260.2713 -227.4242 558813.3493 9.0324 9.0579 PRESSURE: 4789000 -107.05 -110.028 178.906 -110.027 6.64431 -80.2297 178.906 -80.2298 -54.001 GPRESSURE: 4789000 -65.6459 -93.9154 110.438 -63.5617 37.8045 -4.41579 178.14 -48.5649 -32.0156 PRESSAVG: 4789000 5.50022 -21.4629 27.3235 -21.4628 -42.612 -76.5905 27.3235 -76.5906 21.3621 GPRESSAVG: 4789000 4.7968 -17.2031 25.7638 -23.3536 -41.7975 -76.0291 27.0096 -80.0454 21.1042 TIMING: 4789000 CPU: 14404, 0.00302712/step Wall: 14404, 0.00302712/step, 0.177423 hours remaining, 209.273438 MB of memory in use. ENERGY: 4789000 712.4395 2118.0099 1923.3204 113.0587 -205999.6270 17619.6820 0.0000 0.0000 34294.0482 -149219.0683 299.4985 -183513.1165 -149131.4816 299.5028 -51.4688 -19.9524 558846.4391 -5.2499 -5.2988 PRESSURE: 4789200 235.271 -39.9816 -248.51 -39.9801 105.572 199.401 -248.51 199.4 -38.4374 GPRESSURE: 4789200 217.36 -55.9048 -223.919 -24.8856 191.341 111.002 -213.354 250.369 -7.83801 PRESSAVG: 4789200 -19.0747 1.51376 27.5201 1.51378 118.885 20.196 27.5202 20.196 -97.7115 GPRESSAVG: 4789200 -18.5176 0.146528 28.6728 4.05401 118.824 21.0408 26.633 20.9214 -98.4777 TIMING: 4789200 CPU: 14404.6, 0.00303078/step Wall: 14404.6, 0.00303078/step, 0.177469 hours remaining, 209.273438 MB of memory in use. ENERGY: 4789200 742.0207 2086.4611 1945.9249 126.7234 -206399.1539 18058.5848 0.0000 0.0000 34035.9061 -149403.5329 297.2440 -183439.4391 -149306.8892 299.0705 100.8017 133.6211 557877.8816 0.6996 0.6094 PRESSURE: 4789400 -154.696 -119.554 16.8841 -119.556 -107.231 23.7531 16.8839 23.7521 -339.213 GPRESSURE: 4789400 -78.1525 -61.4031 -22.8078 -94.1456 -110.049 -9.81269 -34.9254 -26.9191 -302.221 PRESSAVG: 4789400 47.5431 -21.7494 -12.582 -21.7492 30.0503 9.53657 -12.582 9.53664 -59.1501 GPRESSAVG: 4789400 47.2324 -22.617 -11.8164 -22.3983 30.6336 10.4089 -12.8697 9.52841 -59.4879 TIMING: 4789400 CPU: 14405.3, 0.00302318/step Wall: 14405.3, 0.00302318/step, 0.176856 hours remaining, 209.273438 MB of memory in use. ENERGY: 4789400 754.9463 2051.5411 1933.4688 113.9673 -206133.4935 17614.9332 0.0000 0.0000 34321.5656 -149343.0712 299.7388 -183664.6368 -149248.6253 298.8908 -200.3800 -163.4740 557296.0746 6.1478 6.1260 PRESSURE: 4789600 2.21491 39.142 71.912 39.1422 56.8597 40.3715 71.9128 40.3714 -24.0535 GPRESSURE: 4789600 11.6057 50.5798 106.305 78.8021 51.5222 51.2471 1.02918 -28.6016 48.2487 PRESSAVG: 4789600 -18.0556 39.4039 -11.1408 39.404 -26.8138 5.48468 -11.1409 5.48469 -11.1009 GPRESSAVG: 4789600 -16.6198 38.6605 -12.3546 40.6161 -27.7734 5.1731 -9.84892 4.65375 -11.1755 TIMING: 4789600 CPU: 14405.9, 0.00302001/step Wall: 14405.9, 0.00302001/step, 0.176503 hours remaining, 209.273438 MB of memory in use. ENERGY: 4789600 735.2317 2068.7147 1947.3333 106.1285 -206458.0214 17918.3223 0.0000 0.0000 34330.6707 -149351.6202 299.8183 -183682.2909 -149258.6326 299.0271 11.6737 37.1255 559469.5704 -18.6567 -18.5229 PRESSURE: 4789800 -65.5057 -99.635 235.827 -99.6341 11.2499 -37.5153 235.827 -37.5138 -55.3931 GPRESSURE: 4789800 -44.7101 -105.309 243.073 -127.579 84.9926 -6.23221 172.648 -56.0516 -54.1839 PRESSAVG: 4789800 22.4297 6.62176 9.51445 6.62186 39.6428 20.2945 9.5145 20.2945 -16.8017 GPRESSAVG: 4789800 21.2953 6.59682 10.3998 4.99426 40.4045 17.6786 8.56097 21.0268 -16.4012 TIMING: 4789800 CPU: 14406.5, 0.00301399/step Wall: 14406.5, 0.00301399/step, 0.175984 hours remaining, 209.273438 MB of memory in use. ENERGY: 4789800 684.6630 2071.7667 1950.4953 107.6444 -206293.4611 17802.3921 0.0000 0.0000 34278.5582 -149397.9413 299.3632 -183676.4995 -149299.0673 299.0500 -36.5497 -4.6338 557910.3346 15.0902 15.0995 PRESSURE: 4790000 106.952 76.8151 62.4137 76.8158 48.1038 -34.0626 62.4138 -34.0624 57.5403 GPRESSURE: 4790000 109.61 15.8677 42.6207 95.0779 78.826 15.9278 60.2605 -31.85 113.063 PRESSAVG: 4790000 -71.0707 35.0782 38.301 35.0781 37.9796 6.57232 38.301 6.57222 14.356 GPRESSAVG: 4790000 -71.1578 34.4768 38.8016 35.2176 37.1629 9.2843 38.474 7.06395 15.127 TIMING: 4790000 CPU: 14407.1, 0.00301784/step Wall: 14407.1, 0.00301784/step, 0.176041 hours remaining, 209.273438 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: 4790000 734.5154 2054.5945 1943.9873 105.1298 -206438.2930 17870.0540 0.0000 0.0000 34166.8218 -149563.1902 298.3874 -183730.0120 -149466.0803 297.7535 70.8655 100.4997 557925.9584 -6.2450 -6.2893 PRESSURE: 4790200 -293.739 -64.1199 82.298 -64.1206 -183.186 44.4287 82.2986 44.4291 18.394 GPRESSURE: 4790200 -248.827 -182.996 72.8996 -10.4811 -157.518 103.877 100.724 -3.91245 45.368 PRESSAVG: 4790200 -23.8923 44.1125 58.0316 44.1125 35.9228 27.1679 58.0316 27.1678 -46.4882 GPRESSAVG: 4790200 -23.6068 44.0675 57.9561 45.4603 34.9358 24.5803 57.9712 28.1876 -45.947 TIMING: 4790200 CPU: 14407.7, 0.00298767/step Wall: 14407.7, 0.00298768/step, 0.174115 hours remaining, 209.273438 MB of memory in use. ENERGY: 4790200 731.7566 2095.7626 1930.0836 117.1023 -206787.0788 17956.0923 0.0000 0.0000 34367.5542 -149588.7271 300.1404 -183956.2813 -149496.6861 297.7460 -152.8438 -120.3255 558396.6355 -11.4859 -11.5393 PRESSURE: 4790400 -46.2815 -154.45 220.15 -154.452 -80.1054 -55.4484 220.152 -55.4508 218.142 GPRESSURE: 4790400 58.7683 -132.743 227.371 -184.384 -63.4626 -86.5341 195.774 -25.9182 190.773 PRESSAVG: 4790400 39.688 34.1713 10.1417 34.1712 15.0631 -17.5154 10.1417 -17.5155 -29.0479 GPRESSAVG: 4790400 39.3051 36.0921 8.54894 33.0442 17.5449 -15.635 10.6938 -18.4228 -30.9541 TIMING: 4790400 CPU: 14408.3, 0.00299857/step Wall: 14408.3, 0.00299857/step, 0.174583 hours remaining, 209.273438 MB of memory in use. ENERGY: 4790400 693.0049 2076.5323 1935.1992 103.0285 -206552.3253 17883.0668 0.0000 0.0000 34145.7610 -149715.7325 298.2034 -183861.4935 -149616.8963 298.6258 30.5849 62.0263 557415.1076 8.5677 8.6320 PRESSURE: 4790600 -101.53 12.7355 46.8293 12.7353 132.056 -70.8224 46.8275 -70.8238 -76.8239 GPRESSURE: 4790600 -71.8428 78.4371 84.919 -51.3293 129.004 -18.8939 -53.0173 -174.492 -17.4782 PRESSAVG: 4790600 -35.6925 21.8963 23.5307 21.8963 68.6097 -25.1891 23.5308 -25.189 -35.5657 GPRESSAVG: 4790600 -35.0865 22.2083 22.7574 20.4343 67.6927 -24.9484 24.3152 -26.7072 -35.025 TIMING: 4790600 CPU: 14408.9, 0.00301098/step Wall: 14408.9, 0.00301098/step, 0.175139 hours remaining, 209.273438 MB of memory in use. ENERGY: 4790600 754.6258 2141.7119 1941.9464 112.4616 -206413.9991 17938.8413 0.0000 0.0000 33994.1813 -149530.2308 296.8796 -183524.4121 -149438.5004 298.4642 -15.4328 13.2275 557759.9372 -0.8828 -0.8063 PRESSURE: 4790800 -136.67 -61.3144 39.8232 -61.3137 5.43067 95.3604 39.8235 95.36 -109.244 GPRESSURE: 4790800 -150.447 -86.2625 88.7617 -98.3012 99.2492 59.3796 -42.4704 73.9356 -86.9065 PRESSAVG: 4790800 -64.3296 19.2068 72.0133 19.2069 51.0592 -40.3773 72.0133 -40.3775 33.1974 GPRESSAVG: 4790800 -64.8746 18 75.6342 19.6597 50.1953 -42.6203 69.6576 -38.0248 34.7144 TIMING: 4790800 CPU: 14409.5, 0.00300368/step Wall: 14409.5, 0.00300368/step, 0.174547 hours remaining, 209.273438 MB of memory in use. ENERGY: 4790800 735.8768 2111.5587 1933.5163 118.6418 -206267.8781 17717.6422 0.0000 0.0000 34151.2738 -149499.3686 298.2516 -183650.6424 -149399.6508 298.1325 -80.1613 -46.0346 557779.7736 6.6423 6.6784 PRESSURE: 4791000 -318.972 125.739 -136.741 125.74 57.597 -99.1878 -136.742 -99.1889 -19.3323 GPRESSURE: 4791000 -266.934 59.7649 -99.5243 259.248 90.3554 -59.6356 -160.683 -90.3711 -2.47238 PRESSAVG: 4791000 -41.8069 -12.9067 36.3394 -12.9067 65.5098 -6.11631 36.3394 -6.11641 -78.0671 GPRESSAVG: 4791000 -40.9514 -12.4779 34.9534 -12.3735 67.0109 -4.5141 36.2538 -6.94281 -80.2683 TIMING: 4791000 CPU: 14410.1, 0.00301882/step Wall: 14410.1, 0.00301882/step, 0.17526 hours remaining, 209.273438 MB of memory in use. ENERGY: 4791000 766.4960 2137.2580 1933.8606 109.2987 -206307.7832 17676.6081 0.0000 0.0000 34264.2211 -149420.0407 299.2380 -183684.2618 -149321.6005 298.6835 -93.5691 -59.6835 557106.5199 -18.1214 -18.0696 PRESSURE: 4791200 -199.274 122.09 5.65635 122.089 355.805 140.522 5.65658 140.522 194.338 GPRESSURE: 4791200 -57.088 76.0303 38.0139 161.983 316.355 86.9963 -64.8613 174.798 172.918 PRESSAVG: 4791200 -68.1958 -9.98006 9.03278 -9.98003 62.2074 33.0002 9.03282 33.0001 17.3294 GPRESSAVG: 4791200 -68.3827 -9.72213 8.27555 -10.5133 61.8099 32.2475 11.0335 33.3191 17.8621 TIMING: 4791200 CPU: 14410.7, 0.00304419/step Wall: 14410.7, 0.00304419/step, 0.176563 hours remaining, 209.273438 MB of memory in use. ENERGY: 4791200 721.3870 2105.2657 1923.8891 124.6917 -206338.3280 17955.6040 0.0000 0.0000 34046.9612 -149460.5294 297.3406 -183507.4906 -149360.6131 298.3390 116.9561 144.0617 558217.1628 3.7803 3.7631 PRESSURE: 4791400 22.7787 9.25555 175.44 9.25662 255.833 -183.269 175.439 -183.269 -154.125 GPRESSURE: 4791400 71.9412 -19.762 132.047 -38.9278 284.036 -131.288 165.023 -214.269 -133.241 PRESSAVG: 4791400 -25.5286 18.3103 13.8212 18.3103 45.6426 85.2956 13.8212 85.2956 -12.8913 GPRESSAVG: 4791400 -26.1231 19.4225 13.5671 19.0207 45.4749 86.7831 13.3866 83.563 -12.4604 TIMING: 4791400 CPU: 14411.3, 0.00305774/step Wall: 14411.3, 0.00305774/step, 0.177179 hours remaining, 209.273438 MB of memory in use. ENERGY: 4791400 707.8353 2054.0612 1935.1269 100.4824 -206439.0230 17875.5687 0.0000 0.0000 34301.5568 -149464.3917 299.5640 -183765.9485 -149364.1668 298.4623 41.4955 74.2454 557449.8075 2.4075 2.2971 PRESSURE: 4791600 -124.981 -114.672 -41.41 -114.671 -391.121 225.768 -41.4103 225.77 56.72 GPRESSURE: 4791600 -86.5159 -136.926 -67.321 -152.726 -332.688 354.796 -10.5362 110.638 50.5428 PRESSAVG: 4791600 -52.513 -23.0921 -28.2302 -23.0921 31.4825 35.3204 -28.2302 35.3205 57.3844 GPRESSAVG: 4791600 -51.9864 -24.6024 -27.7394 -22.8687 30.5704 35.521 -28.7304 35.6187 57.3113 TIMING: 4791600 CPU: 14411.9, 0.00306076/step Wall: 14411.9, 0.00306076/step, 0.177184 hours remaining, 209.273438 MB of memory in use. ENERGY: 4791600 750.2860 2146.8038 1933.7944 106.7725 -205996.3298 17513.0762 0.0000 0.0000 34085.9999 -149459.5971 297.6815 -183545.5970 -149364.4505 299.0178 -153.1272 -122.8869 556816.1109 12.1180 11.9651 PRESSURE: 4791800 267.705 115.632 -0.747455 115.632 76.89 33.3463 -0.748308 33.3471 -49.9271 GPRESSURE: 4791800 281.264 83.0808 -116.219 142.95 153.423 133.206 -0.47206 -38.9521 -47.7273 PRESSAVG: 4791800 55.9988 14.9973 9.56569 14.9974 36.8494 52.4461 9.5657 52.4461 -45.2839 GPRESSAVG: 4791800 55.6461 16.4161 9.53251 13.2994 37.8374 49.2363 11.5062 53.0548 -45.9476 TIMING: 4791800 CPU: 14412.5, 0.00304346/step Wall: 14412.5, 0.00304346/step, 0.176013 hours remaining, 209.273438 MB of memory in use. ENERGY: 4791800 741.7808 2062.0989 1942.0961 110.6750 -206722.8967 18033.7245 0.0000 0.0000 34180.3715 -149652.1500 298.5057 -183832.5214 -149549.7891 297.8783 98.2227 128.9867 556056.4706 15.8547 15.8453 PRESSURE: 4792000 -174.764 -70.8639 -49.1723 -70.8652 -45.2006 21.6266 -49.1726 21.627 134.548 GPRESSURE: 4792000 -92.602 -115.464 -39.5228 -23.8777 -23.3782 16.5451 -127.503 85.068 132.054 PRESSAVG: 4792000 -25.9647 -5.4995 -23.6293 -5.49941 -13.9735 9.21021 -23.6293 9.2101 20.776 GPRESSAVG: 4792000 -25.7277 -7.92477 -26.6419 -3.04786 -14.3621 7.64651 -24.6054 10.9062 21.4736 TIMING: 4792000 CPU: 14413.1, 0.00304342/step Wall: 14413.1, 0.00304342/step, 0.175842 hours remaining, 209.273438 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: 4792000 776.9442 2078.5902 1934.5105 105.3933 -206532.4113 17849.5849 0.0000 0.0000 34122.1560 -149665.2322 297.9973 -183787.3882 -149562.7300 297.9644 -28.4722 5.3579 556436.6271 -6.3874 -6.2054 PRESSURE: 4792200 -14.7598 -90.7809 105.326 -90.7815 -83.6643 -8.98184 105.326 -8.98235 -162.316 GPRESSURE: 4792200 -40.7519 -103.805 132.188 -73.2955 -35.9205 -85.1928 121.243 -55.505 -96.4037 PRESSAVG: 4792200 57.9588 23.3107 -6.24557 23.3107 -34.4512 0.432751 -6.24542 0.432657 -1.72791 GPRESSAVG: 4792200 58.9237 24.2981 -2.45331 23.0265 -34.6575 3.02864 -9.86848 -1.90534 -2.03372 TIMING: 4792200 CPU: 14413.7, 0.0030159/step Wall: 14413.7, 0.0030159/step, 0.174085 hours remaining, 209.273438 MB of memory in use. ENERGY: 4792200 745.5430 2067.7404 1923.2877 114.3400 -205867.1777 17512.3025 0.0000 0.0000 33998.0929 -149505.8712 296.9138 -183503.9641 -149406.7385 297.6917 -86.9133 -57.6920 556697.2859 7.2599 7.4108 LDB: ============= START OF LOAD BALANCING ============== 14417.2 LDB: ============== END OF LOAD BALANCING =============== 14417.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14417.2 LDB: ============= START OF LOAD BALANCING ============== 14417.5 LDB: Largest compute 4820 load 0.025930 is 21.9% of average load 0.118199 LDB: Average compute 0.001719 is 1.5% of average load 0.118199 LDB: TIME 14417.5 LOAD: AVG 0.118199 MAX 0.213639 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.422 MB LDB: TIME 14417.5 LOAD: AVG 0.118199 MAX 0.213639 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.422 MB LDB: TIME 14417.5 LOAD: AVG 0.118199 MAX 0.213639 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.422 MB LDB: ============== END OF LOAD BALANCING =============== 14417.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14417.5 PRESSURE: 4792400 -125.774 13.4446 101.161 13.4443 -87.2302 -30.8695 101.162 -30.8693 -265.164 GPRESSURE: 4792400 -103.145 20.3579 167.288 40.8593 -70.1564 30.4336 93.5062 -113.447 -219.258 PRESSAVG: 4792400 69.5481 16.6932 6.56726 16.6932 -22.1472 -44.4954 6.56728 -44.4953 -43.9673 GPRESSAVG: 4792400 68.6608 18.707 5.06377 15.6075 -22.7415 -44.5462 9.61886 -44.5308 -42.0958 TIMING: 4792400 CPU: 14414.3, 0.00306646/step Wall: 14414.3, 0.00306646/step, 0.176833 hours remaining, 208.796875 MB of memory in use. ENERGY: 4792400 745.8615 2086.1918 1937.0076 107.6501 -206473.4119 17727.1754 0.0000 0.0000 34324.2309 -149545.2946 299.7620 -183869.5255 -149448.5452 298.1161 -159.3895 -130.8530 557091.7476 1.1445 1.2745 PRESSURE: 4792600 -234.331 50.8249 -81.1668 50.8253 93.3486 3.89597 -81.1674 3.89689 -167.059 GPRESSURE: 4792600 -156.326 33.7925 -69.1431 2.30577 74.6783 10.6691 -98.1194 19.6215 -140.621 PRESSAVG: 4792600 22.6228 -16.765 25.7798 -16.765 1.7707 -46.0945 25.7799 -46.0946 -29.3733 GPRESSAVG: 4792600 23.3067 -19.4091 25.7506 -16.0855 1.57617 -47.2145 25.8789 -45.4545 -30.2369 TIMING: 4792600 CPU: 14414.9, 0.00302384/step Wall: 14414.9, 0.00302384/step, 0.174207 hours remaining, 209.000000 MB of memory in use. ENERGY: 4792600 736.5757 2087.5250 1905.3644 99.4730 -206350.3790 17806.7204 0.0000 0.0000 34043.0548 -149671.6656 297.3065 -183714.7204 -149568.1796 298.2519 -102.6804 -74.0895 557635.9106 -1.6599 -1.7847 PRESSURE: 4792800 -31.0347 -300.982 45.1484 -300.983 33.6794 -20.8951 45.1475 -20.8956 -135.155 GPRESSURE: 4792800 0.376361 -342.59 7.30715 -231.428 66.6125 -11.4738 61.7887 -2.34016 -107.975 PRESSAVG: 4792800 3.81268 -35.1691 10.1421 -35.1691 28.6771 4.98713 10.142 4.98711 -38.6774 GPRESSAVG: 4792800 5.14885 -35.1202 11.3493 -35.7801 29.6083 5.67529 9.95349 4.14813 -40.0543 TIMING: 4792800 CPU: 14415.5, 0.00303296/step Wall: 14415.5, 0.00303296/step, 0.174563 hours remaining, 209.000000 MB of memory in use. ENERGY: 4792800 747.2912 2065.2845 1913.7190 111.6191 -206610.1305 17844.5164 0.0000 0.0000 34274.6694 -149653.0308 299.3292 -183927.7002 -149554.2826 298.0059 -44.1700 -13.6619 556701.7151 -2.0625 -1.7657 PRESSURE: 4793000 -173.751 -87.1169 47.5967 -87.1175 -371.197 194.786 47.5962 194.786 -240.106 GPRESSURE: 4793000 -112.358 -76.834 16.7419 -120.625 -347.751 171.484 -33.3901 213.203 -233.707 PRESSAVG: 4793000 15.8295 -91.1163 4.01723 -91.1164 -41.2408 -12.4421 4.01719 -12.4421 -1.09653 GPRESSAVG: 4793000 14.3712 -89.2923 2.12411 -92.1813 -40.7549 -15.0363 2.73811 -10.514 0.157327 TIMING: 4793000 CPU: 14416.2, 0.00303629/step Wall: 14416.2, 0.00303629/step, 0.174587 hours remaining, 209.000000 MB of memory in use. ENERGY: 4793000 768.4683 2052.6603 1955.8424 115.7681 -206017.0823 17514.5727 0.0000 0.0000 33814.3093 -149795.4613 295.3088 -183609.7705 -149704.1043 298.0124 -261.6845 -231.2717 558016.6112 -8.8360 -8.7421 PRESSURE: 4793200 -52.7334 -55.587 -72.7087 -55.5874 132.496 183.12 -72.7077 183.12 -297.001 GPRESSURE: 4793200 -43.3587 -19.7937 -109.006 -91.6194 167.327 164.579 -82.9071 179.262 -239.681 PRESSAVG: 4793200 28.708 -35.0355 -23.5803 -35.0354 43.0802 -1.64047 -23.5802 -1.64045 -27.9228 GPRESSAVG: 4793200 28.1373 -33.9375 -22.0123 -35.7463 43.7871 -1.25635 -22.9238 -4.20871 -27.3542 TIMING: 4793200 CPU: 14416.8, 0.00305467/step Wall: 14416.8, 0.00305467/step, 0.175474 hours remaining, 209.000000 MB of memory in use. ENERGY: 4793200 762.5909 2095.7815 1923.2135 100.9699 -206518.3067 17769.6761 0.0000 0.0000 34273.1001 -149592.9747 299.3155 -183866.0748 -149496.9099 297.6983 -72.4128 -38.5710 556618.1954 14.6218 14.8567 PRESSURE: 4793400 -138.498 61.8705 66.9872 61.8717 -6.91006 20.1631 66.9858 20.162 -230.992 GPRESSURE: 4793400 -116.878 87.584 142.99 57.2206 2.58514 81.7471 38.8762 -17.7941 -177.908 PRESSAVG: 4793400 -19.0207 32.2584 -24.6417 32.2584 -29.4611 16.1531 -24.6417 16.153 19.5217 GPRESSAVG: 4793400 -17.9153 30.2938 -24.169 35.5864 -28.4374 18.4543 -23.8413 16.0151 17.7922 TIMING: 4793400 CPU: 14417.4, 0.0030477/step Wall: 14417.4, 0.0030477/step, 0.174904 hours remaining, 209.000000 MB of memory in use. ENERGY: 4793400 729.2296 2046.1017 1950.8588 112.5286 -206084.9544 17577.7085 0.0000 0.0000 34222.5804 -149445.9468 298.8743 -183668.5272 -149347.6209 298.1976 -125.4668 -97.4005 557752.7683 -9.6534 -9.5202 PRESSURE: 4793600 -12.9263 28.1947 -0.455445 28.1957 35.7472 -166.959 -0.455748 -166.958 -9.51667 GPRESSURE: 4793600 9.30272 81.6282 -60.9437 -70.2786 51.3774 -136.338 100.481 -122.135 46.6823 PRESSAVG: 4793600 30.5414 1.51138 15.3465 1.51142 60.1256 -10.3117 15.3466 -10.3116 -11.5866 GPRESSAVG: 4793600 30.1875 2.11375 14.4894 -0.99589 57.7104 -13.285 13.834 -7.18623 -9.53638 TIMING: 4793600 CPU: 14418, 0.00307204/step Wall: 14418, 0.00307204/step, 0.17613 hours remaining, 209.000000 MB of memory in use. ENERGY: 4793600 732.6007 2054.0361 1957.0170 121.8039 -206612.4705 17854.3506 0.0000 0.0000 34333.6066 -149559.0556 299.8439 -183892.6622 -149459.0584 299.3785 4.4348 35.7875 557499.0606 26.3602 26.1205 PRESSURE: 4793800 -69.5757 43.2995 173.375 43.2994 393.658 -43.5458 173.375 -43.5465 33.5841 GPRESSURE: 4793800 -36.1862 105.834 86.3589 19.28 425.319 -82.0576 189.313 -36.5752 77.068 PRESSAVG: 4793800 -83.1149 -33.3756 12.2201 -33.3758 47.6348 6.42418 12.2201 6.42426 30.1118 GPRESSAVG: 4793800 -84.5431 -33.2607 9.8937 -31.3325 49.0264 6.98236 15.0169 4.573 29.8854 TIMING: 4793800 CPU: 14418.6, 0.00309219/step Wall: 14418.6, 0.00309219/step, 0.177114 hours remaining, 209.000000 MB of memory in use. ENERGY: 4793800 742.8877 2081.6351 1941.3471 125.1094 -206520.9865 17977.5618 0.0000 0.0000 34196.1903 -149456.2550 298.6438 -183652.4453 -149357.7108 297.5071 119.2222 155.4002 556930.1183 -1.7894 -1.8771 PRESSURE: 4794000 -60.832 -109.553 -38.9119 -109.552 -65.1404 169.61 -38.9117 169.611 -185.713 GPRESSURE: 4794000 -59.7365 -109.903 -36.7798 -82.4993 12.4073 264.604 111.404 128.217 -166.799 PRESSAVG: 4794000 -29.1684 0.884204 15.7068 0.884192 42.0048 57.5434 15.7066 57.5435 -16.9559 GPRESSAVG: 4794000 -28.3079 0.404704 18.2292 -0.0205796 41.6082 57.691 13.687 58.4446 -17.5483 TIMING: 4794000 CPU: 14419.2, 0.00308777/step Wall: 14419.2, 0.00308777/step, 0.176689 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: 4794000 740.2998 2056.9410 1971.4725 108.7086 -206366.9276 17821.8434 0.0000 0.0000 34348.8903 -149318.7719 299.9774 -183667.6622 -149219.3964 298.6106 -103.8951 -71.3761 558071.2229 -1.3732 -1.4160 PRESSURE: 4794200 -46.4565 -1.50897 -96.0404 -1.51016 51.4047 -70.5523 -96.04 -70.5528 60.806 GPRESSURE: 4794200 -8.44249 -49.1151 -147.342 -40.5949 96.665 -51.7143 -119.647 -27.4773 89.5782 PRESSAVG: 4794200 -7.68595 -4.74355 -22.0167 -4.74362 44.5246 22.3066 -22.0168 22.3065 -10.7199 GPRESSAVG: 4794200 -8.07971 -3.9108 -22.5492 -5.19448 43.6522 25.1079 -22.5111 19.359 -9.15771 TIMING: 4794200 CPU: 14419.8, 0.00305681/step Wall: 14419.8, 0.00305681/step, 0.174748 hours remaining, 209.000000 MB of memory in use. ENERGY: 4794200 748.1191 2082.4815 1953.5661 123.3931 -206258.0750 17858.3249 0.0000 0.0000 34297.1889 -149195.0014 299.5259 -183492.1903 -149094.4486 299.8445 21.9181 59.2669 556888.9889 8.7063 8.8049 PRESSURE: 4794400 -302.95 -110.053 13.6476 -110.054 219.789 24.232 13.6472 24.23 52.1678 GPRESSURE: 4794400 -237.638 -158.968 43.9312 -104.798 279.542 69.0318 31.7684 -91.6159 35.704 PRESSAVG: 4794400 -94.2364 -57.7998 3.05896 -57.7998 42.8141 -10.655 3.05904 -10.655 31.4561 GPRESSAVG: 4794400 -94.0334 -59.2736 2.88994 -56.8412 44.3485 -13.6274 3.53782 -7.88197 30.0512 TIMING: 4794400 CPU: 14420.4, 0.00303266/step Wall: 14420.4, 0.00303266/step, 0.173198 hours remaining, 209.000000 MB of memory in use. ENERGY: 4794400 782.5046 2095.0843 1915.1022 109.6038 -206199.3274 17833.5511 0.0000 0.0000 34374.3563 -149089.1252 300.1998 -183463.4814 -149001.0337 300.4613 -10.3312 25.8694 557219.1675 -6.6554 -6.5446 PRESSURE: 4794600 35.6596 58.5648 29.4842 58.565 -72.3133 -171.593 29.4844 -171.594 -22.2534 GPRESSURE: 4794600 71.9094 40.4196 65.3617 149.805 -42.8344 -174.798 -32.9851 -204.145 12.6624 PRESSAVG: 4794600 -86.9146 1.32153 7.25511 1.32155 41.5521 25.6156 7.25505 25.6156 61.3126 GPRESSAVG: 4794600 -86.3683 0.148745 7.75222 2.8014 41.2104 25.47 7.08273 25.8815 60.5722 TIMING: 4794600 CPU: 14421.1, 0.0030502/step Wall: 14421.1, 0.0030502/step, 0.174031 hours remaining, 209.000000 MB of memory in use. ENERGY: 4794600 706.3643 2150.2621 1961.3603 118.9273 -205697.5564 17528.0330 0.0000 0.0000 34247.3325 -148985.2767 299.0905 -183232.6093 -148891.3457 300.2073 -19.6357 13.9125 558061.1118 5.3167 5.1381 PRESSURE: 4794800 -314.784 39.846 -46.8205 39.8458 -381.671 -55.0851 -46.8203 -55.0863 -156.284 GPRESSURE: 4794800 -303.862 1.01832 18.6943 37.227 -333.28 -39.0378 -77.3466 -22.4616 -123.163 PRESSAVG: 4794800 -12.2754 -14.0668 -2.19414 -14.0668 -47.7741 43.7156 -2.1943 43.7157 38.4518 GPRESSAVG: 4794800 -13.5227 -12.4789 -1.91874 -16.0477 -48.6673 44.7827 -3.37063 41.1448 40.5314 TIMING: 4794800 CPU: 14421.7, 0.00303252/step Wall: 14421.7, 0.00303252/step, 0.172854 hours remaining, 209.000000 MB of memory in use. ENERGY: 4794800 761.1956 2157.7886 1949.4368 110.1400 -205499.5126 17406.8760 0.0000 0.0000 34061.8440 -149052.2316 297.4706 -183114.0757 -148955.5057 299.4366 -284.2464 -253.4347 560114.2240 -7.1992 -7.2195 PRESSURE: 4795000 -78.1331 -138.691 -41.4576 -138.691 -4.34226 -57.3633 -41.4575 -57.3609 -38.0139 GPRESSURE: 4795000 -74.4274 -126.763 8.3076 -141.816 99.704 -52.6417 -18.5955 -23.319 -45.9109 PRESSAVG: 4795000 -50.5891 -56.479 27.1319 -56.4789 -38.3587 -81.297 27.132 -81.297 46.6243 GPRESSAVG: 4795000 -49.1862 -55.4257 27.0476 -56.8823 -37.9735 -80.9927 29.5559 -80.8303 44.4231 TIMING: 4795000 CPU: 14422.3, 0.00304209/step Wall: 14422.3, 0.00304209/step, 0.17323 hours remaining, 209.000000 MB of memory in use. ENERGY: 4795000 750.7765 2148.3400 1973.8255 120.2072 -206343.8975 17892.9776 0.0000 0.0000 34301.4446 -149156.3262 299.5630 -183457.7708 -149060.8080 299.4622 -40.1631 -6.8781 558713.3257 -14.1078 -14.2455 PRESSURE: 4795200 -51.1948 -49.261 154.943 -49.2611 -120.592 21.6501 154.942 21.651 75.2812 GPRESSURE: 4795200 -10.697 -22.8428 145.969 -26.5655 -51.6762 25.4868 169.734 -16.877 79.0788 PRESSAVG: 4795200 2.82392 -6.64022 37.6461 -6.64026 46.389 -27.7943 37.6462 -27.7942 34.606 GPRESSAVG: 4795200 4.05162 -8.25034 38.3973 -5.38765 45.3611 -27.2198 35.5936 -26.7528 34.7922 TIMING: 4795200 CPU: 14422.9, 0.00304551/step Wall: 14422.9, 0.00304551/step, 0.173256 hours remaining, 209.000000 MB of memory in use. ENERGY: 4795200 756.0366 2144.4725 1961.7543 131.0998 -206262.6764 17728.5731 0.0000 0.0000 34488.7885 -149051.9516 301.1992 -183540.7401 -148958.3553 300.0016 -32.1685 5.5685 556903.2786 27.9396 28.0683 PRESSURE: 4795400 -155.664 -134.332 60.8994 -134.332 -15.2565 -5.10138 60.8994 -5.10158 -3.58957 GPRESSURE: 4795400 -139.983 -100.983 -35.1102 -43.0496 39.1897 23.1151 97.5687 33.3624 27.5562 PRESSAVG: 4795400 -103.128 -17.1825 36.8503 -17.1825 24.3504 -21.6112 36.8503 -21.6113 14.4653 GPRESSAVG: 4795400 -105.133 -16.6829 35.2435 -18.0207 25.8238 -22.3405 38.3114 -20.2247 14.8835 TIMING: 4795400 CPU: 14423.5, 0.00302843/step Wall: 14423.5, 0.00302843/step, 0.172116 hours remaining, 209.000000 MB of memory in use. ENERGY: 4795400 791.4501 2130.6365 1944.6792 111.0756 -206006.5783 17721.7480 0.0000 0.0000 34217.2567 -149089.7322 298.8278 -183306.9889 -148993.8711 298.7294 -58.1701 -24.4125 558437.4588 -21.4376 -21.4753 PRESSURE: 4795600 -103.265 -41.9522 183.499 -41.9521 -55.9151 36.8977 183.499 36.8991 -40.8952 GPRESSURE: 4795600 -94.824 -127.032 200.745 107.728 26.0496 66.0502 249.18 69.1861 -37.5196 PRESSAVG: 4795600 -63.3101 -10.434 54.7475 -10.4339 49.0076 13.355 54.7475 13.355 47.8115 GPRESSAVG: 4795600 -62.5515 -10.7673 56.3759 -9.76451 48.2612 13.2531 53.5881 13.1538 47.7538 TIMING: 4795600 CPU: 14424.1, 0.00304477/step Wall: 14424.1, 0.00304477/step, 0.172875 hours remaining, 209.000000 MB of memory in use. ENERGY: 4795600 766.9426 2091.1783 1964.9949 116.2709 -205991.9955 17624.1004 0.0000 0.0000 34266.2278 -149162.2806 299.2555 -183428.5084 -149059.2014 299.1842 -66.6919 -35.4313 557732.1490 11.1697 11.1545 PRESSURE: 4795800 205.539 39.3444 1.10907 39.3443 2.15893 30.7845 1.1089 30.7848 -172.814 GPRESSURE: 4795800 147.524 61.2938 45.1283 -29.2758 34.0872 38.3965 -59.5176 2.43174 -52.6456 PRESSAVG: 4795800 -41.9607 -26.5714 0.0286052 -26.5714 -38.308 -2.59018 0.0285813 -2.59021 109.913 GPRESSAVG: 4795800 -41.5736 -25.1971 -2.89195 -28.7971 -38.8673 -4.45058 0.122965 -1.45725 109.364 TIMING: 4795800 CPU: 14424.7, 0.0030532/step Wall: 14424.7, 0.00305319/step, 0.173184 hours remaining, 209.000000 MB of memory in use. ENERGY: 4795800 702.9334 2050.6095 1911.2160 114.3623 -205788.9677 17664.4865 0.0000 0.0000 34232.1271 -149113.2329 298.9577 -183345.3600 -149014.7990 299.2956 11.6279 42.9887 557333.1757 9.8815 9.6410 PRESSURE: 4796000 142.201 45.7385 -36.4244 45.7391 135.434 17.4309 -36.4234 17.4309 -43.1769 GPRESSURE: 4796000 166.541 27.5301 -46.2633 39.9573 172.475 43.4107 -55.0789 36.4375 -2.08017 PRESSAVG: 4796000 41.7674 -17.9995 -47.2719 -17.9995 -11.7744 6.65527 -47.2719 6.65541 -52.7541 GPRESSAVG: 4796000 41.326 -19.2171 -47.9775 -15.665 -11.4802 7.53348 -47.2747 4.67917 -52.3544 TIMING: 4796000 CPU: 14425.3, 0.00304756/step Wall: 14425.3, 0.00304756/step, 0.172695 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: 4796000 766.4510 2058.6375 1960.1689 100.8550 -206224.4098 17831.1388 0.0000 0.0000 34452.6561 -149054.5024 300.8836 -183507.1586 -148957.7767 298.9753 78.1527 112.3120 557199.1216 -7.5870 -7.5029 PRESSURE: 4796200 5.13394 244.296 22.975 244.294 -76.9197 -157.685 22.9762 -157.684 -21.6782 GPRESSURE: 4796200 37.0054 294.716 102.314 172.568 -45.4723 -135.847 -57.2045 -134.444 6.28328 PRESSAVG: 4796200 2.12774 -27.3624 -12.9455 -27.3624 7.2244 47.7668 -12.9457 47.7666 -18.953 GPRESSAVG: 4796200 2.7211 -27.1442 -11.0358 -27.3889 6.51724 49.6742 -14.0077 44.5414 -19.0568 TIMING: 4796200 CPU: 14425.9, 0.00303012/step Wall: 14425.9, 0.00303012/step, 0.171539 hours remaining, 209.000000 MB of memory in use. ENERGY: 4796200 748.8697 2074.2238 1932.4762 127.3728 -205717.6866 17470.2603 0.0000 0.0000 34352.3027 -149012.1810 300.0072 -183364.4837 -148915.1063 299.3207 -31.1547 -0.7279 557584.5615 -3.2003 -3.2728 LDB: ============= START OF LOAD BALANCING ============== 14429.3 LDB: ============== END OF LOAD BALANCING =============== 14429.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14429.3 LDB: ============= START OF LOAD BALANCING ============== 14429.6 LDB: Largest compute 4820 load 0.027582 is 23.3% of average load 0.118172 LDB: Average compute 0.001737 is 1.5% of average load 0.118172 LDB: TIME 14429.6 LOAD: AVG 0.118172 MAX 0.21222 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.121 MB LDB: TIME 14429.6 LOAD: AVG 0.118172 MAX 0.21222 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.121 MB LDB: TIME 14429.6 LOAD: AVG 0.118172 MAX 0.21222 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14429.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14429.7 PRESSURE: 4796400 -127.167 -116.892 61.5695 -116.891 36.1068 21.5895 61.5706 21.5886 -39.0966 GPRESSURE: 4796400 -99.1435 -101.158 73.4027 -135.393 59.2692 44.3719 65.2057 -63.4221 -2.47172 PRESSAVG: 4796400 -42.6042 -9.95038 -16.307 -9.95036 -35.9301 -48.8505 -16.307 -48.8505 76.6405 GPRESSAVG: 4796400 -42.7482 -10.0956 -17.7912 -8.40279 -36.9386 -48.3505 -13.8686 -46.4372 78.1143 TIMING: 4796400 CPU: 14426.5, 0.00305749/step Wall: 14426.5, 0.00305749/step, 0.172918 hours remaining, 208.746094 MB of memory in use. ENERGY: 4796400 750.0841 2046.1645 1956.0432 112.0207 -205659.0808 17465.2718 0.0000 0.0000 34450.6128 -148878.8837 300.8658 -183329.4965 -148777.9021 300.8343 -43.3855 -14.1153 555682.7599 -0.6312 -0.5242 PRESSURE: 4796600 -111.263 -2.35184 -178.612 -2.35156 47.1915 69.5486 -178.612 69.5496 17.4214 GPRESSURE: 4796600 -138.851 -10.2841 -160.559 77.1515 124.79 118.539 -206.561 58.529 64.2246 PRESSAVG: 4796600 -60.3817 -7.41327 -22.1433 -7.41321 64.7576 -7.04508 -22.1433 -7.04511 3.48076 GPRESSAVG: 4796600 -60.0844 -5.73947 -21.3224 -10.2796 66.3711 -6.68583 -21.7317 -7.64414 1.26748 TIMING: 4796600 CPU: 14427.1, 0.0029937/step Wall: 14427.1, 0.0029937/step, 0.169144 hours remaining, 209.000000 MB of memory in use. ENERGY: 4796600 733.1943 2088.7199 1952.0200 114.4949 -205713.2007 17630.3850 0.0000 0.0000 34291.9937 -148902.3928 299.4805 -183194.3865 -148804.4769 300.1168 -15.5501 16.7211 557159.5119 2.6189 2.5181 PRESSURE: 4796800 -346.457 -7.52116 -80.4604 -7.51977 -165.2 59.4968 -80.4593 59.4968 -101.391 GPRESSURE: 4796800 -332.843 -83.3539 -145.88 5.36187 -98.3429 52.7055 -80.903 76.9566 -93.2196 PRESSAVG: 4796800 -80.7787 -23.8231 -0.852336 -23.823 18.6778 9.61165 -0.852253 9.61155 88.6263 GPRESSAVG: 4796800 -81.7443 -23.9449 0.204155 -23.0331 18.2978 8.62939 -4.0709 10.4611 89.5839 TIMING: 4796800 CPU: 14427.7, 0.00299956/step Wall: 14427.7, 0.00299956/step, 0.169308 hours remaining, 209.000000 MB of memory in use. ENERGY: 4796800 733.0915 2092.3146 1941.7780 95.6753 -205167.3837 17111.1005 0.0000 0.0000 34188.6996 -149004.7242 298.5784 -183193.4238 -148903.9286 299.6400 -204.3493 -174.8019 557094.8714 8.8418 8.7125 PRESSURE: 4797000 -236.818 -104.543 -85.2123 -104.542 -204.215 57.6314 -85.2132 57.6323 72.0123 GPRESSURE: 4797000 -185.778 -91.9095 32.1039 -98.5016 -153.587 -18.1243 -130.692 79.9373 55.99 PRESSAVG: 4797000 -56.6315 -27.7461 30.2681 -27.746 -6.20359 -13.2119 30.268 -13.2119 32.3615 GPRESSAVG: 4797000 -55.3222 -27.5477 30.2616 -28.6788 -6.21114 -15.017 30.1434 -11.2409 31.299 TIMING: 4797000 CPU: 14428.3, 0.00304181/step Wall: 14428.3, 0.00304181/step, 0.171524 hours remaining, 209.000000 MB of memory in use. ENERGY: 4797000 701.5127 2115.0724 1940.3756 117.9366 -205254.6760 17387.1115 0.0000 0.0000 34103.9538 -148888.7134 297.8383 -182992.6671 -148795.9583 299.2181 -123.0071 -94.4584 559574.4884 -10.1579 -10.0781 PRESSURE: 4797200 105.867 -8.69788 61.1639 -8.69773 -98.8054 109.229 61.164 109.229 -291.125 GPRESSURE: 4797200 169.492 94.5329 84.5378 -40.7787 -138.853 25.4213 45.7108 92.9786 -221.578 PRESSAVG: 4797200 29.6759 -18.3275 -18.0363 -18.3276 45.2924 -7.53712 -18.0361 -7.53724 -98.5574 GPRESSAVG: 4797200 26.843 -17.6513 -19.6317 -19.2132 46.1373 -7.09096 -15.7983 -6.84381 -96.7724 TIMING: 4797200 CPU: 14428.9, 0.00301876/step Wall: 14428.9, 0.00301876/step, 0.170057 hours remaining, 209.000000 MB of memory in use. ENERGY: 4797200 736.0669 2064.9600 1938.8766 107.6457 -205564.0337 17551.8915 0.0000 0.0000 34340.8022 -148823.7906 299.9068 -183164.5929 -148723.0079 300.0552 -94.6880 -63.6461 558084.9771 -7.8630 -7.9307 PRESSURE: 4797400 -68.4535 -77.3411 -95.3909 -77.34 244.994 -25.7837 -95.39 -25.7835 39.2895 GPRESSURE: 4797400 -42.7027 -134.107 -38.7042 -53.9134 260.481 -31.5054 -136.97 50.0928 101.72 PRESSAVG: 4797400 -103.159 -7.44383 22.0578 -7.44374 48.8787 -13.9149 22.0577 -13.915 59.2155 GPRESSAVG: 4797400 -102.009 -11.4928 25.1046 -3.49002 48.7465 -12.2252 20.2038 -16.5671 59.1791 TIMING: 4797400 CPU: 14429.5, 0.00302341/step Wall: 14429.5, 0.00302341/step, 0.170151 hours remaining, 209.000000 MB of memory in use. ENERGY: 4797400 728.4299 2129.3075 1944.6836 103.9835 -206136.1400 17877.1629 0.0000 0.0000 34542.2257 -148810.3469 301.6658 -183352.5726 -148715.9802 300.8452 71.9433 106.4995 557876.2055 1.6450 1.9724 PRESSURE: 4797600 -34.8155 37.3586 -44.3457 37.3587 -210.95 -38.7394 -44.3452 -38.7385 129.797 GPRESSURE: 4797600 -62.7653 45.2134 17.2123 127.072 -201.453 42.083 -43.0784 -83.5085 243.023 PRESSAVG: 4797600 20.1112 -0.407801 -2.64418 -0.407816 9.13569 -57.5975 -2.64416 -57.5975 19.0343 GPRESSAVG: 4797600 21.0675 1.57786 -5.68896 -3.47498 9.48957 -58.4512 -2.34106 -54.2456 17.8183 TIMING: 4797600 CPU: 14430.1, 0.00302228/step Wall: 14430.1, 0.00302228/step, 0.169919 hours remaining, 209.000000 MB of memory in use. ENERGY: 4797600 741.6191 2072.6487 1977.1527 122.9034 -205593.1061 17740.2232 0.0000 0.0000 34280.7403 -148657.8186 299.3822 -182938.5589 -148564.0889 300.2374 -38.6561 -7.0651 559283.2348 16.0938 16.1251 PRESSURE: 4797800 -233.577 -119.538 6.00756 -119.538 48.4196 -228.813 6.00642 -228.813 -53.054 GPRESSURE: 4797800 -205.856 -115.647 -7.18565 -113.632 96.651 -150.367 45.1325 -204.619 -25.3266 PRESSAVG: 4797800 -8.79304 -10.9782 -25.9238 -10.9783 -53.3833 -39.287 -25.9238 -39.2869 16.5264 GPRESSAVG: 4797800 -9.74497 -12.6547 -25.4312 -8.20776 -53.3697 -39.1781 -24.6473 -42.2565 17.8731 TIMING: 4797800 CPU: 14430.8, 0.00303642/step Wall: 14430.8, 0.00303643/step, 0.170546 hours remaining, 209.000000 MB of memory in use. ENERGY: 4797800 728.6510 2047.8674 1929.6297 112.5845 -205314.3625 17393.5140 0.0000 0.0000 34299.0165 -148803.0995 299.5418 -183102.1160 -148708.2846 299.9270 -79.4039 -44.8438 559281.9639 -15.2166 -15.0805 PRESSURE: 4798000 64.4444 -62.8954 -102.217 -62.896 5.56915 -101.984 -102.216 -101.983 250.355 GPRESSURE: 4798000 122.074 -98.773 -76.6064 -16.6003 40.4677 -110.365 -190.727 -96.5581 253.822 PRESSAVG: 4798000 69.3129 -43.2916 -4.73303 -43.2917 -34.1442 3.24864 -4.73301 3.24861 15.8449 GPRESSAVG: 4798000 69.3938 -41.1315 -3.05688 -45.6382 -34.1254 4.30686 -4.74692 2.16985 16.3054 TIMING: 4798000 CPU: 14431.4, 0.00303226/step Wall: 14431.4, 0.00303226/step, 0.170143 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: 4798000 743.1755 2102.2010 1933.8750 108.3780 -205897.2379 17837.2592 0.0000 0.0000 34380.2026 -148792.1465 300.2509 -183172.3492 -148691.9989 300.5132 106.7896 138.7879 558332.2267 17.0046 17.1913 PRESSURE: 4798200 174.156 44.7884 -206.326 44.7889 52.1045 40.7937 -206.326 40.7933 -99.289 GPRESSURE: 4798200 181.173 18.4373 -268.225 51.2466 74.3444 119.171 -131.45 8.02373 -29.5245 PRESSAVG: 4798200 19.2217 14.8953 -2.54277 14.8954 -50.0556 -31.8219 -2.54283 -31.8219 -12.6807 GPRESSAVG: 4798200 19.6661 12.7136 -2.68792 15.2257 -50.8856 -31.7041 -4.47109 -30.8478 -12.2173 TIMING: 4798200 CPU: 14432, 0.00302889/step Wall: 14432, 0.00302889/step, 0.169786 hours remaining, 209.000000 MB of memory in use. ENERGY: 4798200 753.5742 2110.4511 1933.1241 105.7709 -205650.9419 17669.1794 0.0000 0.0000 34408.5753 -148670.2669 300.4986 -183078.8421 -148569.2812 300.1960 42.3238 75.3311 558843.4686 -14.5048 -14.4789 PRESSURE: 4798400 18.2066 -70.1409 -31.6072 -70.1407 21.9199 192.881 -31.6075 192.883 -95.1083 GPRESSURE: 4798400 22.0641 -88.252 10.3878 -93.2952 50.5772 169.325 -19.1134 204.885 -32.7764 PRESSAVG: 4798400 15.1559 0.851953 4.7129 0.851957 -35.8677 29.7653 4.71292 29.7652 42.8085 GPRESSAVG: 4798400 15.2941 2.61048 4.10061 -0.57666 -34.7408 28.9902 5.63537 29.7762 40.958 TIMING: 4798400 CPU: 14432.6, 0.00304447/step Wall: 14432.6, 0.00304447/step, 0.17049 hours remaining, 209.000000 MB of memory in use. ENERGY: 4798400 755.5198 2123.7700 1951.1434 118.1484 -205674.3505 17701.9003 0.0000 0.0000 34323.2906 -148700.5781 299.7538 -183023.8687 -148601.1233 301.4198 -18.3273 13.2883 557999.7930 7.3656 7.1704 PRESSURE: 4798600 100.393 316.636 116.236 316.636 -181.724 82.3152 116.236 82.3187 -154.64 GPRESSURE: 4798600 99.6114 316.951 146.518 270.276 -149.503 23.151 126.825 26.1284 -78.8567 PRESSAVG: 4798600 -13.9833 42.1339 3.13228 42.1339 42.1698 18.977 3.13225 18.977 17.7796 GPRESSAVG: 4798600 -14.2038 42.957 3.8032 43.84 41.6642 19.997 4.28368 19.3824 18.4258 TIMING: 4798600 CPU: 14433.2, 0.00304704/step Wall: 14433.2, 0.00304704/step, 0.170465 hours remaining, 209.000000 MB of memory in use. ENERGY: 4798600 709.9376 2033.0512 1956.8867 118.1917 -205808.3729 17645.9125 0.0000 0.0000 34520.5636 -148823.8297 301.4767 -183344.3933 -148723.1806 300.5881 -78.6567 -42.9161 558719.0522 15.3220 15.2954 PRESSURE: 4798800 -18.5073 -70.4414 21.5662 -70.4415 -63.4664 14.1436 21.5642 14.1432 5.599 GPRESSURE: 4798800 49.1032 -92.1731 -95.1407 -66.9828 -13.7884 20.2231 123.166 -63.1578 -8.7964 PRESSAVG: 4798800 89.241 -7.00844 29.1508 -7.00857 -78.1425 -17.4288 29.1508 -17.4288 -21.4319 GPRESSAVG: 4798800 89.9208 -9.46691 29.2207 -6.02176 -78.4908 -18.0352 30.1315 -18.0812 -21.3625 TIMING: 4798800 CPU: 14433.8, 0.00304978/step Wall: 14433.8, 0.00304978/step, 0.170449 hours remaining, 209.000000 MB of memory in use. ENERGY: 4798800 786.6102 2059.2492 1946.4682 108.4130 -206397.8354 18210.9283 0.0000 0.0000 34397.8354 -148888.3311 300.4049 -183286.1665 -148788.2616 300.1197 -25.4582 8.8395 558837.5145 -3.4445 -3.3108 PRESSURE: 4799000 -173.03 -10.1106 -56.3056 -10.1119 -203.838 79.9064 -56.3053 79.9068 -20.2897 GPRESSURE: 4799000 -194.128 -132.477 -53.0673 152.414 -151.397 111.665 -37.5014 56.4088 49.255 PRESSAVG: 4799000 27.2137 56.873 35.7515 56.8731 17.2806 -3.7302 35.7515 -3.73018 10.8412 GPRESSAVG: 4799000 25.7632 57.7642 35.6942 58.3075 17.9406 -3.81647 33.7374 -3.07723 11.0493 TIMING: 4799000 CPU: 14434.4, 0.0029972/step Wall: 14434.4, 0.0029972/step, 0.167343 hours remaining, 209.000000 MB of memory in use. ENERGY: 4799000 743.5855 2126.6666 1940.0048 111.6557 -205940.7424 17579.5854 0.0000 0.0000 34528.0098 -148911.2345 301.5417 -183439.2443 -148810.9537 301.0030 -132.3857 -98.7566 557891.9554 18.4452 18.2510 PRESSURE: 4799200 -83.1916 -216.933 196.586 -216.933 -222.104 -33.0463 196.587 -33.0462 -66.7564 GPRESSURE: 4799200 -45.4205 -190.704 139.305 -187.222 -138.184 -70.7504 147.713 37.5204 -71.526 PRESSAVG: 4799200 29.1057 22.2398 -1.09315 22.2399 4.10462 50.2394 -1.09314 50.2394 -24.6123 GPRESSAVG: 4799200 30.2513 23.3929 -0.0846151 20.0427 3.39271 48.9211 -0.247158 50.9367 -24.7505 TIMING: 4799200 CPU: 14435, 0.00304662/step Wall: 14435, 0.00304662/step, 0.169934 hours remaining, 209.000000 MB of memory in use. ENERGY: 4799200 725.5717 2083.7787 1931.3253 106.3782 -206228.8516 17824.0959 0.0000 0.0000 34451.9997 -149105.7021 300.8779 -183557.7018 -149007.0960 300.7530 -124.0174 -85.0436 556914.1623 2.8660 2.9645 PRESSURE: 4799400 104.884 53.4565 -9.22793 53.4565 34.049 95.0818 -9.22882 95.0814 274.358 GPRESSURE: 4799400 186.883 72.3296 106.463 51.0787 23.4524 96.55 -61.0533 73.5348 293.071 PRESSAVG: 4799400 28.2042 43.4222 -13.0165 43.4222 -1.48565 59.6393 -13.0165 59.6392 -12.2524 GPRESSAVG: 4799400 27.2208 43.4913 -12.2028 42.8138 -0.862865 60.2859 -14.1624 58.4657 -11.9107 TIMING: 4799400 CPU: 14435.6, 0.00304403/step Wall: 14435.6, 0.00304403/step, 0.16962 hours remaining, 209.050781 MB of memory in use. ENERGY: 4799400 764.6636 2094.6235 1950.0791 107.5623 -206482.1368 17988.5904 0.0000 0.0000 34329.0602 -149247.5576 299.8042 -183576.6179 -149148.4545 299.8223 137.7638 167.8019 556813.7516 4.8220 4.8158 PRESSURE: 4799600 1.52503 -25.6294 119.474 -25.63 -136.568 -29.505 119.474 -29.5038 -9.42072 GPRESSURE: 4799600 75.2311 -29.2264 170.082 -4.29214 -103.041 -27.6731 84.3068 16.8441 -13.3433 PRESSAVG: 4799600 11.9038 4.00705 22.8351 4.00701 -52.9707 41.9033 22.8351 41.9033 25.5593 GPRESSAVG: 4799600 13.0448 5.45478 22.9782 4.73593 -53.5668 41.5461 21.4086 44.021 24.9976 TIMING: 4799600 CPU: 14436.2, 0.00303556/step Wall: 14436.2, 0.00303556/step, 0.168979 hours remaining, 209.050781 MB of memory in use. ENERGY: 4799600 747.1418 2113.6803 1955.5671 115.9737 -206187.7762 17783.3429 0.0000 0.0000 34327.7902 -149144.2800 299.7931 -183472.0702 -149043.6389 298.8883 -48.1545 -13.7177 558946.0665 -5.1692 -5.1748 PRESSURE: 4799800 -212.872 -144.892 24.4035 -144.892 -162.501 86.2456 24.4035 86.2471 75.4988 GPRESSURE: 4799800 -151.498 -92.5284 -53.2195 -111.226 -131.956 104.729 26.0323 31.0325 86.1337 PRESSAVG: 4799800 10.9005 -59.5054 26.551 -59.5054 -19.493 58.0158 26.5509 58.0158 -9.44035 GPRESSAVG: 4799800 11.5525 -61.5024 24.0831 -57.9185 -20.1301 58.5814 28.9229 56.0553 -9.70486 TIMING: 4799800 CPU: 14436.8, 0.00303218/step Wall: 14436.8, 0.00303218/step, 0.168623 hours remaining, 209.050781 MB of memory in use. ENERGY: 4799800 781.4929 2174.7229 1959.9550 117.4397 -206090.0933 17700.1109 0.0000 0.0000 34164.1779 -149192.1940 298.3643 -183356.3719 -149106.1990 298.5755 -99.9582 -65.7733 558065.6341 -6.0110 -6.0941 PRESSURE: 4800000 65.1351 47.3889 132.911 47.3893 -112.64 87.3249 132.912 87.324 279.151 GPRESSURE: 4800000 134.966 33.6163 155.732 -51.2931 -92.5994 77.2471 45.4208 151.183 288.78 PRESSAVG: 4800000 -52.1942 4.20851 -19.3439 4.20849 -20.6827 -6.73093 -19.3438 -6.73085 67.7174 GPRESSAVG: 4800000 -52.4649 5.37318 -18.6697 3.54229 -19.8618 -6.43563 -19.5348 -6.8754 67.2934 TIMING: 4800000 CPU: 14437.4, 0.00304458/step Wall: 14437.4, 0.00304458/step, 0.169143 hours remaining, 209.050781 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: 4800000 728.8672 2098.4159 1913.3810 121.4987 -206132.9573 17737.9875 0.0000 0.0000 34193.4978 -149339.3093 298.6203 -183532.8070 -149239.1707 298.8304 77.2153 110.3822 556235.1845 -1.7198 -1.6778 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4800000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4800000 WRITING COORDINATES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4800000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4800200 -259.516 -12.2515 -137.056 -12.2517 -197.802 -38.5792 -137.056 -38.5801 -192.032 GPRESSURE: 4800200 -293.768 -5.49989 -107.521 -72.5545 -151.506 -40.1734 -111.321 -8.04279 -113.155 PRESSAVG: 4800200 -39.3644 -9.34731 12.5147 -9.34729 -97.3165 9.09293 12.5148 9.09285 54.5123 GPRESSAVG: 4800200 -39.804 -8.2936 12.6378 -10.3403 -98.0376 9.49289 14.0142 8.46632 55.3897 TIMING: 4800200 CPU: 14438.1, 0.00337285/step Wall: 14438.1, 0.00337285/step, 0.187193 hours remaining, 209.050781 MB of memory in use. ENERGY: 4800200 750.8736 2070.5790 1974.5972 118.7100 -206194.0586 17512.3238 0.0000 0.0000 34239.2585 -149527.7166 299.0200 -183766.9751 -149422.0735 298.1385 -216.4500 -186.1430 557834.3306 -27.3895 -27.4839 LDB: ============= START OF LOAD BALANCING ============== 14441.5 LDB: ============== END OF LOAD BALANCING =============== 14441.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14441.5 LDB: ============= START OF LOAD BALANCING ============== 14441.9 LDB: Largest compute 4820 load 0.029713 is 25.1% of average load 0.118190 LDB: Average compute 0.001745 is 1.5% of average load 0.118190 LDB: TIME 14441.9 LOAD: AVG 0.11819 MAX 0.218286 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.039 MB LDB: TIME 14441.9 LOAD: AVG 0.11819 MAX 0.218286 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.043 MB LDB: TIME 14441.9 LOAD: AVG 0.11819 MAX 0.218286 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.043 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14441.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14441.9 PRESSURE: 4800400 -168.046 52.0783 5.78034 52.0772 -90.2143 166.485 5.78091 166.487 -28.8711 GPRESSURE: 4800400 -103.656 -44.7555 5.39498 74.1031 -121.11 125.319 -30.4534 215.081 32.5681 PRESSAVG: 4800400 13.4835 4.20062 -1.31261 4.20066 -15.1517 45.3658 -1.31262 45.3659 15.3912 GPRESSAVG: 4800400 13.1012 3.68368 0.338644 5.32006 -15.0968 43.4298 -1.91166 46.3956 16.0136 TIMING: 4800400 CPU: 14438.7, 0.00312284/step Wall: 14438.7, 0.00312284/step, 0.173144 hours remaining, 209.000000 MB of memory in use. ENERGY: 4800400 775.6437 2105.9627 1944.9676 129.5378 -206579.9691 17895.2408 0.0000 0.0000 34230.5845 -149498.0321 298.9442 -183728.6166 -149395.3828 298.2905 -95.7104 -64.0660 558445.7503 4.5743 4.6726 PRESSURE: 4800600 -125.21 -38.859 -162.344 -38.8591 51.3981 88.1784 -162.345 88.18 -8.43414 GPRESSURE: 4800600 -115.732 -109.731 -128.505 -25.1217 65.7916 4.35108 -196.59 118.096 48.1774 PRESSAVG: 4800600 -9.54261 -17.9162 10.2806 -17.9162 -49.1634 12.9509 10.2807 12.9508 58.5664 GPRESSAVG: 4800600 -9.22606 -17.4992 9.53592 -17.5471 -49.4554 15.2811 10.0774 12.2389 57.8021 TIMING: 4800600 CPU: 14439.3, 0.00303843/step Wall: 14439.3, 0.00303843/step, 0.168295 hours remaining, 209.199219 MB of memory in use. ENERGY: 4800600 773.5792 2106.1366 1938.9496 110.7323 -206425.5912 17800.8270 0.0000 0.0000 34471.2442 -149224.1223 301.0459 -183695.3666 -149121.3014 299.3668 -27.4154 -0.5878 557308.0272 -0.0465 -0.2931 PRESSURE: 4800800 346.922 -52.4476 19.4758 -52.4473 97.9592 66.0191 19.477 66.0175 243.428 GPRESSURE: 4800800 376.015 -36.06 -44.1186 -26.3839 184.537 162.728 -39.0694 62.9025 213.358 PRESSAVG: 4800800 73.2264 16.2778 21.5067 16.2778 6.23162 5.27055 21.5067 5.27056 -66.687 GPRESSAVG: 4800800 73.8381 15.2934 22.1704 14.6974 5.97576 5.11442 19.3557 5.24237 -67.5796 TIMING: 4800800 CPU: 14440, 0.00305502/step Wall: 14440, 0.00305502/step, 0.169044 hours remaining, 209.199219 MB of memory in use. ENERGY: 4800800 721.4790 2086.5178 1984.6085 116.3240 -206758.2406 18239.2277 0.0000 0.0000 34378.9714 -149231.1122 300.2401 -183610.0836 -149128.7646 299.2106 229.4365 257.9699 556089.5590 4.2570 4.0781 PRESSURE: 4801000 203.653 64.5598 0.135861 64.56 80.8576 -146.88 0.135884 -146.879 250.027 GPRESSURE: 4801000 191.285 48.9881 0.489318 70.7865 142.028 -118.702 -34.7587 -32.9845 296.05 PRESSAVG: 4801000 -4.59648 -19.7055 46.3388 -19.7054 -36.4424 55.1019 46.3389 55.102 15.0588 GPRESSAVG: 4801000 -5.81389 -18.3381 45.9092 -19.5306 -36.0076 53.6014 47.0632 56.4616 15.3345 TIMING: 4801000 CPU: 14440.6, 0.00304872/step Wall: 14440.6, 0.00304872/step, 0.168526 hours remaining, 209.199219 MB of memory in use. ENERGY: 4801000 696.1145 2129.9142 1948.7815 123.1670 -205966.7292 17797.6972 0.0000 0.0000 34168.4197 -149102.6353 298.4013 -183271.0550 -149007.1434 299.3494 178.1793 209.7876 556885.3859 -8.6600 -8.8290 PRESSURE: 4801200 151.916 88.6829 -28.304 88.6824 -185.456 176.681 -28.3037 176.681 -82.5966 GPRESSURE: 4801200 218.647 23.9976 -27.8662 110.949 -176.017 216.362 44.3073 140.068 -63.3797 PRESSAVG: 4801200 11.8663 -7.84849 27.3966 -7.84837 13.4035 17.2641 27.3967 17.2642 -19.954 GPRESSAVG: 4801200 12.451 -7.91898 28.5573 -8.5383 13.0401 20.0328 26.4948 16.2762 -19.5768 TIMING: 4801200 CPU: 14441.2, 0.00303314/step Wall: 14441.2, 0.00303314/step, 0.167497 hours remaining, 209.199219 MB of memory in use. ENERGY: 4801200 791.8720 2082.0342 1952.5346 113.9036 -206093.7043 17771.6487 0.0000 0.0000 34260.1587 -149121.5526 299.2025 -183381.7112 -149022.9297 299.7087 -38.7122 -6.9168 557057.3692 1.7720 1.9714 PRESSURE: 4801400 57.2279 74.557 34.1863 74.5572 -208.395 65.2861 34.1858 65.2872 -95.6532 GPRESSURE: 4801400 151.362 100.183 -28.1786 60.8222 -163.859 68.5633 105.836 21.5968 -140.339 PRESSAVG: 4801400 44.3067 32.0724 38.2826 32.0724 3.39975 31.7853 38.2826 31.7854 -55.0044 GPRESSAVG: 4801400 44.7179 30.7381 37.7919 33.3106 3.85872 30.6217 40.0889 30.4798 -55.5362 TIMING: 4801400 CPU: 14441.8, 0.0030467/step Wall: 14441.8, 0.0030467/step, 0.168076 hours remaining, 209.199219 MB of memory in use. ENERGY: 4801400 764.2664 2127.9581 1932.2323 106.8327 -205867.5031 17630.6559 0.0000 0.0000 34196.2955 -149109.2621 298.6448 -183305.5576 -149015.4165 299.2523 -82.2734 -50.9454 557684.2543 -2.4327 -2.3199 PRESSURE: 4801600 255.061 39.9148 -19.2589 39.9139 114.158 120.607 -19.2593 120.608 -74.5376 GPRESSURE: 4801600 284.384 69.5799 29.9242 -85.6856 129.498 110.846 -23.1651 62.7295 -24.1837 PRESSAVG: 4801600 64.6037 27.3993 -25.6964 27.3993 -3.42859 26.1329 -25.6963 26.1329 -44.355 GPRESSAVG: 4801600 64.3002 26.3619 -24.6772 27.3586 -3.80851 26.9203 -25.8651 26.5821 -43.467 TIMING: 4801600 CPU: 14442.4, 0.00307043/step Wall: 14442.4, 0.00307043/step, 0.169215 hours remaining, 209.199219 MB of memory in use. ENERGY: 4801600 728.8495 2086.7187 1919.9683 107.0882 -206318.7586 17948.7539 0.0000 0.0000 34255.0053 -149272.3746 299.1575 -183527.3799 -149175.9885 298.7509 98.2270 129.8995 557675.5713 5.6067 5.6749 PRESSURE: 4801800 200.833 -20.672 -26.5769 -20.6706 -20.121 149.838 -26.5772 149.838 230.716 GPRESSURE: 4801800 202.561 -78.8009 -29.3884 53.4929 12.3428 180.717 -10.3543 115.842 297.676 PRESSAVG: 4801800 123.932 26.3757 -6.51172 26.3757 -23.4746 60.3161 -6.5117 60.3161 -97.2234 GPRESSAVG: 4801800 123.039 27.6728 -8.93303 27.2337 -23.3971 60.2605 -6.87011 62.3236 -96.2484 TIMING: 4801800 CPU: 14443, 0.00305488/step Wall: 14443, 0.00305488/step, 0.168188 hours remaining, 209.199219 MB of memory in use. ENERGY: 4801800 749.1534 2094.4360 1929.3712 120.5259 -206441.9389 18035.9867 0.0000 0.0000 34342.5245 -149169.9413 299.9218 -183512.4658 -149075.6358 299.1730 137.1427 170.8599 556730.1247 1.0780 1.1313 PRESSURE: 4802000 -105.202 -10.8938 -39.6722 -10.8941 -301.132 -19.9384 -39.6715 -19.9389 -156.225 GPRESSURE: 4802000 -94.9429 -101.787 12.7714 -28.2931 -250.696 -73.3169 -37.8122 59.2101 -135.286 PRESSAVG: 4802000 40.1135 -17.3294 -37.8539 -17.3293 -49.7876 35.4379 -37.8539 35.4379 -6.12793 GPRESSAVG: 4802000 41.8678 -15.6658 -35.043 -18.3413 -49.0161 33.5956 -38.2267 35.1687 -8.21882 TIMING: 4802000 CPU: 14443.6, 0.00305157/step Wall: 14443.6, 0.00305157/step, 0.167837 hours remaining, 209.199219 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: 4802000 776.7971 2049.5502 1953.4618 113.8563 -205983.8809 17648.5901 0.0000 0.0000 34143.1352 -149298.4903 298.1805 -183441.6255 -149197.5350 299.4144 -187.5197 -160.3082 558201.6295 -5.2673 -5.1224 PRESSURE: 4802200 -43.1809 -52.4463 -3.96332 -52.4478 15.0904 124.444 -3.96302 124.444 -49.8818 GPRESSURE: 4802200 -5.02297 -82.8894 -49.8537 -39.0266 69.8079 239.978 16.0423 53.4655 -55.8796 PRESSAVG: 4802200 -15.8567 -43.1014 -17.8561 -43.1013 -25.6964 22.411 -17.8561 22.4111 53.3373 GPRESSAVG: 4802200 -15.9849 -45.756 -19.3766 -41.4039 -25.774 22.7793 -17.5964 22.9547 53.0777 TIMING: 4802200 CPU: 14444.2, 0.0030655/step Wall: 14444.2, 0.0030655/step, 0.168432 hours remaining, 209.199219 MB of memory in use. ENERGY: 4802200 770.4242 2077.2277 1926.7274 111.1763 -205922.4777 17746.3172 0.0000 0.0000 34129.9545 -149160.6503 298.0654 -183290.6048 -149069.1537 299.2234 -25.9908 2.9684 558368.0457 3.9280 3.7730 PRESSURE: 4802400 176.093 -46.5203 -23.098 -46.5218 -214.618 90.9927 -23.098 90.992 -112.377 GPRESSURE: 4802400 184.832 -31.3961 70.8569 16.7907 -154.157 85.5408 -50.6557 133.767 -91.2576 PRESSAVG: 4802400 15.2745 20.0861 -7.05363 20.0861 -21.3975 33.2618 -7.05359 33.262 -7.2567 GPRESSAVG: 4802400 15.5693 21.5339 -6.85715 18.2962 -20.2121 33.7262 -7.89517 32.5553 -8.63379 TIMING: 4802400 CPU: 14444.8, 0.00304478/step Wall: 14444.8, 0.00304478/step, 0.167125 hours remaining, 209.199219 MB of memory in use. ENERGY: 4802400 787.1456 2079.1527 1919.2470 111.8678 -206064.8360 17841.1138 0.0000 0.0000 34276.4769 -149049.8322 299.3450 -183326.3091 -148948.0156 299.0644 -50.3007 -20.1943 559452.7351 -4.4599 -4.4255 PRESSURE: 4802600 -154.94 -42.2784 -84.9059 -42.2808 -52.9019 1.87062 -84.9056 1.86995 21.8485 GPRESSURE: 4802600 -76.3132 -47.7163 -114.06 -8.18087 -59.4035 20.0764 -26.5828 -24.7558 41.3248 PRESSAVG: 4802600 6.94547 0.1931 -19.9272 0.193107 -28.9204 83.4148 -19.9272 83.4148 9.96035 GPRESSAVG: 4802600 6.39289 0.02189 -21.7798 -1.63034 -30.3961 82.8237 -18.5425 81.437 11.5644 TIMING: 4802600 CPU: 14445.4, 0.00304599/step Wall: 14445.4, 0.00304599/step, 0.167022 hours remaining, 209.199219 MB of memory in use. ENERGY: 4802600 737.7379 2129.0342 1935.8042 102.8931 -206141.5365 17814.9906 0.0000 0.0000 34516.0765 -148905.0000 301.4375 -183421.0765 -148799.5140 300.3981 -61.9977 -31.4640 559163.7434 -4.0048 -4.1462 PRESSURE: 4802800 -56.2023 -43.964 -146.769 -43.9633 -232.76 76.4145 -146.769 76.4134 -190.67 GPRESSURE: 4802800 -56.2884 -1.7955 -146.179 -36.047 -181.981 104.762 -140.265 41.9396 -158.859 PRESSAVG: 4802800 24.6641 0.533987 -34.1639 0.533983 -45.2835 82.8965 -34.164 82.8966 24.949 GPRESSAVG: 4802800 24.4144 2.51625 -33.8407 0.504567 -45.3061 81.7754 -33.5475 84.0421 25.487 TIMING: 4802800 CPU: 14446.1, 0.00305646/step Wall: 14446.1, 0.00305646/step, 0.167426 hours remaining, 209.199219 MB of memory in use. ENERGY: 4802800 780.2286 2083.8053 1949.6937 108.9520 -205702.0735 17559.4714 0.0000 0.0000 34346.7032 -148873.2194 299.9583 -183219.9226 -148782.8432 300.6874 -159.8776 -132.3758 560839.9330 1.4432 1.5318 PRESSURE: 4803000 -96.6505 -168.116 -95.0251 -168.118 51.7655 -28.2497 -95.025 -28.2506 -197.142 GPRESSURE: 4803000 -98.6871 -162.883 -121.916 -240.166 99.7994 -2.5609 -142.096 25.1431 -154.035 PRESSAVG: 4803000 -6.6247 41.5546 -76.5833 41.5545 -20.4691 24.929 -76.5833 24.9291 -14.1179 GPRESSAVG: 4803000 -6.43238 40.7285 -76.83 40.6021 -21.4594 26.3264 -77.3149 25.3045 -12.6163 TIMING: 4803000 CPU: 14446.7, 0.00304391/step Wall: 14446.7, 0.00304391/step, 0.166569 hours remaining, 209.199219 MB of memory in use. ENERGY: 4803000 753.8627 2071.2266 1968.7502 110.6067 -205694.0507 17679.2785 0.0000 0.0000 34278.8396 -148831.4864 299.3656 -183110.3260 -148732.4263 300.4936 -80.6757 -50.9741 560098.4911 -13.7372 -13.5027 PRESSURE: 4803200 55.7614 -68.3035 130.416 -68.3036 -178.851 -273.083 130.417 -273.084 74.7242 GPRESSURE: 4803200 30.6264 -61.88 5.39451 -69.7244 -153.935 -223.796 163.955 -221.036 173.254 PRESSAVG: 4803200 -14.2413 -3.06838 -33.4869 -3.06848 0.998329 34.3673 -33.4869 34.3673 -3.42025 GPRESSAVG: 4803200 -13.6066 -5.4237 -33.2489 0.363722 2.14513 32.9457 -33.1853 34.8503 -5.10779 TIMING: 4803200 CPU: 14447.3, 0.00305865/step Wall: 14447.3, 0.00305865/step, 0.167206 hours remaining, 209.199219 MB of memory in use. ENERGY: 4803200 802.3154 2059.4832 1931.9462 119.9813 -206266.4983 17843.1645 0.0000 0.0000 34406.8136 -149102.7941 300.4833 -183509.6077 -149004.1734 299.9513 -16.1218 16.6485 557935.0264 -5.5544 -5.5231 PRESSURE: 4803400 -115.852 -4.84852 137.209 -4.84866 -181.478 -120.14 137.211 -120.141 -190.772 GPRESSURE: 4803400 -86.9458 35.0928 167.154 52.8512 -149.795 -114.442 148.736 -121.241 -157.147 PRESSAVG: 4803400 3.90896 -26.1444 41.7995 -26.1445 33.5441 -76.1392 41.7995 -76.1393 -26.8103 GPRESSAVG: 4803400 5.38926 -26.2242 41.9546 -26.8708 31.8632 -75.4127 41.981 -76.8857 -26.8095 TIMING: 4803400 CPU: 14447.9, 0.00304684/step Wall: 14447.9, 0.00304684/step, 0.166391 hours remaining, 209.199219 MB of memory in use. ENERGY: 4803400 762.4469 2122.8974 1927.6797 116.0397 -205815.5360 17558.7574 0.0000 0.0000 34189.5987 -149138.1162 298.5863 -183327.7149 -149044.3136 299.4028 -162.7009 -131.2960 558698.6738 3.5476 3.4810 PRESSURE: 4803600 -42.4128 285.465 27.6487 285.466 -282.833 58.4026 27.6486 58.401 -75.047 GPRESSURE: 4803600 4.44395 304.329 40.3998 202.524 -203.41 103.661 88.6286 29.2595 -101.035 PRESSAVG: 4803600 -11.267 33.104 63.5756 33.1042 53.3145 -2.44266 63.5755 -2.4427 -61.0065 GPRESSAVG: 4803600 -12.684 32.6341 65.6081 34.7626 55.2432 -2.77609 62.9424 -2.30394 -61.3692 TIMING: 4803600 CPU: 14448.5, 0.00304684/step Wall: 14448.5, 0.00304684/step, 0.166222 hours remaining, 209.199219 MB of memory in use. ENERGY: 4803600 737.1063 2072.3766 1967.0660 115.1752 -205658.8274 17672.6360 0.0000 0.0000 34136.7639 -148957.7034 298.1248 -183094.4673 -148866.6240 299.6377 -133.4310 -100.0005 557996.5137 -6.3197 -6.2700 PRESSURE: 4803800 271.099 -66.6835 -133.289 -66.6831 54.1287 -41.8685 -133.29 -41.8675 -24.5142 GPRESSURE: 4803800 279.65 22.5397 -241.354 -185.795 70.1 21.0046 -44.8631 -125.612 44.6291 PRESSAVG: 4803800 27.7319 -17.0672 0.038483 -17.0672 5.76092 -47.8049 0.0384228 -47.8048 -19.8965 GPRESSAVG: 4803800 27.5819 -15.932 -1.2729 -19.0277 4.16586 -46.7246 0.167798 -48.4112 -17.9066 TIMING: 4803800 CPU: 14449.1, 0.00304414/step Wall: 14449.1, 0.00304414/step, 0.165906 hours remaining, 209.199219 MB of memory in use. ENERGY: 4803800 741.2409 2054.4770 1931.6231 102.1668 -206137.9603 17985.3301 0.0000 0.0000 34290.9826 -149032.1398 299.4717 -183323.1224 -148940.3878 299.8146 100.2379 131.4597 558100.3241 4.5321 4.6137 PRESSURE: 4804000 263.377 0.240733 -139.429 0.240834 -18.5802 -168.641 -139.428 -168.64 231.059 GPRESSURE: 4804000 291.808 -63.4518 -127.325 79.4308 -9.58682 -153.824 -71.4584 -66.3159 294.807 PRESSAVG: 4804000 -2.20922 -36.136 3.25332 -36.136 -23.7104 -59.5587 3.2533 -59.5587 1.16382 GPRESSAVG: 4804000 -2.34075 -35.0606 1.29737 -36.9692 -22.5058 -58.2578 2.70112 -58.8207 0.96189 TIMING: 4804000 CPU: 14449.7, 0.00304227/step Wall: 14449.7, 0.00304227/step, 0.165635 hours remaining, 209.199219 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: 4804000 718.8552 2082.7089 1953.7392 125.9358 -206420.7317 18147.2914 0.0000 0.0000 34323.3994 -149068.8019 299.7548 -183392.2012 -148969.4798 299.5176 158.6187 192.3426 557121.1934 -8.2519 -7.9616 PRESSURE: 4804200 -95.1262 -58.0725 97.6644 -58.0737 104.819 -88.6995 97.6638 -88.6982 -40.5028 GPRESSURE: 4804200 -39.1553 -48.9546 90.3053 -147.501 134.912 -110.316 26.1765 -85.2925 -38.102 PRESSAVG: 4804200 40.9806 -40.0647 18.1418 -40.0646 -12.8517 -66.9505 18.1417 -66.9506 15.0425 GPRESSAVG: 4804200 41.2463 -39.6119 19.3873 -42.4879 -13.1251 -69.7659 18.3978 -65.5872 15.0045 TIMING: 4804200 CPU: 14450.3, 0.00305837/step Wall: 14450.3, 0.00305837/step, 0.166341 hours remaining, 209.199219 MB of memory in use. ENERGY: 4804200 750.1840 2073.2720 1937.5403 106.9458 -206250.3742 17902.3014 0.0000 0.0000 34375.0115 -149105.1192 300.2055 -183480.1307 -148999.9314 299.2625 -10.2699 19.2184 557217.7321 14.3905 14.3752 LDB: ============= START OF LOAD BALANCING ============== 14453.8 LDB: ============== END OF LOAD BALANCING =============== 14453.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14453.8 LDB: ============= START OF LOAD BALANCING ============== 14454.1 LDB: Largest compute 4820 load 0.027306 is 23.1% of average load 0.118143 LDB: Average compute 0.001736 is 1.5% of average load 0.118143 LDB: TIME 14454.1 LOAD: AVG 0.118143 MAX 0.212376 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.102 MB LDB: TIME 14454.1 LOAD: AVG 0.118143 MAX 0.212376 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.102 MB LDB: TIME 14454.1 LOAD: AVG 0.118143 MAX 0.212376 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.102 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14454.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14454.1 PRESSURE: 4804400 36.1042 -108.468 134.011 -108.467 -375.105 9.94874 134.013 9.9491 -273.665 GPRESSURE: 4804400 126.456 -54.5453 180.943 -135.071 -379.042 -41.0337 78.7725 15.4378 -261.05 PRESSAVG: 4804400 45.1124 -2.50343 -12.6028 -2.5033 35.7628 -23.7914 -12.6029 -23.7914 -74.9333 GPRESSAVG: 4804400 45.222 -3.65654 -13.1828 0.409578 36.5776 -22.7794 -14.4547 -24.4909 -75.8561 TIMING: 4804400 CPU: 14450.9, 0.00308836/step Wall: 14450.9, 0.00308836/step, 0.167801 hours remaining, 207.070312 MB of memory in use. ENERGY: 4804400 779.5741 2061.3971 1934.1446 109.2388 -206245.7271 17621.5731 0.0000 0.0000 34491.4554 -149248.3441 301.2225 -183739.7995 -149152.6851 299.0608 -204.2217 -171.2122 556601.0516 1.9806 1.9812 PRESSURE: 4804600 -263.355 -172.214 -23.2221 -172.214 -327.565 56.7345 -23.2208 56.734 24.9654 GPRESSURE: 4804600 -207.587 -198.638 -8.28215 -54.2237 -267.612 15.072 -118.348 87.4225 14.3512 PRESSAVG: 4804600 -46.0147 -7.69019 37.7838 -7.69022 74.8147 -6.39742 37.7839 -6.39739 -7.93797 GPRESSAVG: 4804600 -45.8268 -9.28605 36.0595 -5.33572 74.9832 -4.74043 40.0617 -7.63116 -7.93146 TIMING: 4804600 CPU: 14451.6, 0.00305787/step Wall: 14451.6, 0.00305787/step, 0.165974 hours remaining, 207.070312 MB of memory in use. ENERGY: 4804600 743.3202 2085.3799 1924.5583 104.2494 -205837.6341 17491.9086 0.0000 0.0000 34079.0219 -149409.1957 297.6206 -183488.2177 -149303.4002 299.0928 -188.6515 -153.6159 557213.2608 6.9540 7.0750 PRESSURE: 4804800 164.208 4.08133 4.75838 4.0812 261.739 -107.122 4.75802 -107.122 128.792 GPRESSURE: 4804800 116.689 -10.7815 -28.2057 -29.739 403.699 -58.8247 -57.1435 -114.898 133.403 PRESSAVG: 4804800 14.7851 -1.75242 -23.9328 -1.75237 -1.62522 -28.7479 -23.9328 -28.7479 19.0971 GPRESSAVG: 4804800 13.8434 -1.98332 -23.1762 -3.56462 -2.17696 -28.7921 -24.9092 -28.2192 20.9114 TIMING: 4804800 CPU: 14452.2, 0.00304478/step Wall: 14452.2, 0.00304479/step, 0.165095 hours remaining, 207.070312 MB of memory in use. ENERGY: 4804800 752.4768 2105.6342 1944.5481 120.0350 -206502.4819 17988.5851 0.0000 0.0000 34021.2126 -149569.9902 297.1157 -183591.2027 -149476.1495 298.0922 184.9132 217.9305 556384.6417 10.7523 10.8593 PRESSURE: 4805000 -182.366 93.3007 -212.42 93.3012 -116.601 25.2068 -212.42 25.2081 -73.382 GPRESSURE: 4805000 -150.727 23.5156 -128.202 50.8133 -76.543 54.5155 -232.615 -6.62631 -64.304 PRESSAVG: 4805000 12.1695 10.8418 -95.072 10.8419 19.676 -26.6965 -95.072 -26.6966 1.26276 GPRESSAVG: 4805000 12.3303 12.17 -92.5858 9.95002 20.1547 -26.925 -96.1414 -24.6764 0.732159 TIMING: 4805000 CPU: 14452.8, 0.00304628/step Wall: 14452.8, 0.00304628/step, 0.165007 hours remaining, 207.070312 MB of memory in use. ENERGY: 4805000 735.9278 2118.9350 1927.8186 114.0650 -206193.5036 17747.7640 0.0000 0.0000 33938.9729 -149610.0203 296.3975 -183548.9932 -149523.8466 297.5571 -124.1161 -97.1912 557173.2623 11.0361 11.0724 PRESSURE: 4805200 210.027 -159.994 165.011 -159.993 10.3916 -51.5817 165.011 -51.5816 158.135 GPRESSURE: 4805200 236.002 -161.093 166.424 -134.478 46.5006 -103.604 124.977 -51.5172 193.101 PRESSAVG: 4805200 42.6277 -6.8176 12.4844 -6.81765 10.1362 35.5207 12.4845 35.5207 -44.4204 GPRESSAVG: 4805200 43.2099 -4.80621 9.4532 -7.31442 8.58376 34.046 12.5092 36.6877 -43.5764 TIMING: 4805200 CPU: 14453.4, 0.0030371/step Wall: 14453.4, 0.0030371/step, 0.164341 hours remaining, 207.070312 MB of memory in use. ENERGY: 4805200 759.1393 2090.9234 1935.6868 117.6049 -206928.4554 18111.1041 0.0000 0.0000 34218.8555 -149695.1415 298.8418 -183913.9970 -149594.4362 298.3826 126.1847 158.5345 555991.3582 2.7812 2.7391 PRESSURE: 4805400 263.68 38.3214 -75.139 38.321 60.8032 -65.5581 -75.1369 -65.558 236.286 GPRESSURE: 4805400 313.381 92.7799 -62.1303 22.9065 72.076 -49.13 -52.8047 -45.5559 259.956 PRESSAVG: 4805400 12.6989 -23.4338 -42.265 -23.4339 -14.8955 -11.6488 -42.2649 -11.6489 -20.7172 GPRESSAVG: 4805400 12.2367 -24.8661 -39.0491 -22.4837 -13.1404 -10.7696 -40.6268 -12.9071 -21.6674 TIMING: 4805400 CPU: 14454, 0.00303011/step Wall: 14454, 0.00303011/step, 0.163794 hours remaining, 207.070312 MB of memory in use. ENERGY: 4805400 760.3076 2132.1445 1919.4344 121.3269 -207423.9058 18376.5829 0.0000 0.0000 34381.3589 -149732.7506 300.2610 -184114.1095 -149638.1911 298.2169 186.9232 215.1375 556602.7824 -7.6379 -7.5237 PRESSURE: 4805600 -120.063 -75.6557 47.4038 -75.6545 -61.1438 55.6137 47.403 55.6132 33.7816 GPRESSURE: 4805600 -50.1164 -40.1091 59.3336 -32.133 -111.423 123.482 41.4909 3.90304 103.325 PRESSAVG: 4805600 2.31967 -37.5526 -4.61625 -37.5526 -11.3538 11.7752 -4.61617 11.7751 -18.0592 GPRESSAVG: 4805600 3.00215 -37.1698 -5.56682 -37.1193 -11.9718 13.0591 -5.32963 11.8381 -17.9384 TIMING: 4805600 CPU: 14454.6, 0.00301776/step Wall: 14454.6, 0.00301776/step, 0.162959 hours remaining, 207.070312 MB of memory in use. ENERGY: 4805600 734.0429 2070.8249 1948.4498 110.7851 -206232.0731 17793.3208 0.0000 0.0000 33946.0400 -149628.6097 296.4592 -183574.6497 -149540.3266 298.0273 -49.1417 -19.4049 559502.0223 -9.0311 -8.9694 PRESSURE: 4805800 -196.604 -217.122 44.3236 -217.122 -304.218 42.4948 44.3228 42.4952 -208.777 GPRESSURE: 4805800 -181.114 -154.372 7.35727 -230.766 -288.86 63.2505 91.6442 139.766 -142.922 PRESSAVG: 4805800 -3.18523 -48.7145 33.2415 -48.7145 -22.1927 14.1238 33.2414 14.1237 33.3205 GPRESSAVG: 4805800 -1.70204 -48.2752 31.2736 -50.8192 -22.5166 12.4415 33.5464 13.9443 32.5594 TIMING: 4805800 CPU: 14455.2, 0.0030429/step Wall: 14455.2, 0.0030429/step, 0.164147 hours remaining, 207.070312 MB of memory in use. ENERGY: 4805800 742.7726 2035.5630 1949.1057 120.1962 -206319.7839 17734.5432 0.0000 0.0000 34046.2629 -149691.3402 297.3345 -183737.6031 -149591.0031 297.6745 -236.5327 -204.2984 558867.1878 2.6475 2.7803 PRESSURE: 4806000 -17.915 -45.0749 76.9281 -45.0744 -273.67 -29.3253 76.9279 -29.3245 85.0361 GPRESSURE: 4806000 -8.19659 -80.4212 159.522 -64.3035 -273.079 -117.171 36.4926 -24.2965 170.4 PRESSAVG: 4806000 -5.90468 -30.4202 51.1216 -30.4202 3.75201 -32.2296 51.1215 -32.2294 29.1339 GPRESSAVG: 4806000 -7.2805 -31.125 52.2406 -30.1966 4.94089 -33.9979 52.8303 -32.1189 28.9822 TIMING: 4806000 CPU: 14455.8, 0.00306968/step Wall: 14455.8, 0.00306968/step, 0.165422 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: 4806000 774.6385 2072.3824 1945.2081 104.2391 -206858.9188 17918.2830 0.0000 0.0000 34178.8962 -149865.2715 298.4928 -184044.1677 -149769.3194 297.9329 -68.8496 -36.9585 556211.1072 8.9938 8.8809 PRESSURE: 4806200 -46.8202 103.269 -61.6217 103.269 143.309 135.375 -61.621 135.376 14.9352 GPRESSURE: 4806200 -31.5143 18.1074 -48.9437 86.3533 209.77 165.023 -62.4593 123.317 38.3966 PRESSAVG: 4806200 -57.5442 -51.2517 -28.9543 -51.2518 -22.7752 -27.1828 -28.9545 -27.1828 45.9111 GPRESSAVG: 4806200 -58.6926 -49.701 -27.7316 -50.9705 -23.3251 -25.7341 -31.4094 -27.1406 47.2496 TIMING: 4806200 CPU: 14456.4, 0.00304497/step Wall: 14456.4, 0.00304497/step, 0.163921 hours remaining, 207.273438 MB of memory in use. ENERGY: 4806200 733.8410 2090.6012 1954.8767 111.9788 -206655.5638 17935.1966 0.0000 0.0000 33998.0290 -149831.0405 296.9132 -183829.0695 -149735.5656 297.1616 37.1413 72.2176 556239.7328 -11.4694 -11.5893 PRESSURE: 4806400 32.5091 35.0194 -120.901 35.0192 5.67955 -39.4277 -120.9 -39.4269 359.946 GPRESSURE: 4806400 88.5746 25.8214 -101.613 84.2591 61.499 59.4039 -109.583 -95.2599 343.059 PRESSAVG: 4806400 -27.2786 -31.0221 50.8156 -31.0221 -19.3718 29.2973 50.8158 29.2972 61.3873 GPRESSAVG: 4806400 -27.0507 -33.9535 46.904 -28.4565 -19.0673 28.3771 54.0518 30.0389 61.0068 TIMING: 4806400 CPU: 14457, 0.00306453/step Wall: 14457, 0.00306453/step, 0.164804 hours remaining, 207.273438 MB of memory in use. ENERGY: 4806400 735.7553 2089.8649 1921.1837 114.3609 -206953.1918 18136.0087 0.0000 0.0000 34341.1624 -149614.8558 299.9099 -183956.0182 -149515.7465 297.8372 132.7117 164.3775 556615.2870 4.9123 4.9629 PRESSURE: 4806600 193.194 -74.8984 30.4618 -74.897 98.4011 -6.82233 30.4624 -6.82316 -86.2496 GPRESSURE: 4806600 206.82 -46.7162 -35.8807 -175.288 132.563 -57.5032 29.7567 8.67611 -42.2964 PRESSAVG: 4806600 -19.9322 -37.1677 -3.9023 -37.1678 13.3439 -33.073 -3.9024 -33.073 35.8335 GPRESSAVG: 4806600 -19.5718 -36.0901 -1.53554 -39.0823 13.7252 -32.8771 -6.57315 -33.0509 35.2845 TIMING: 4806600 CPU: 14457.6, 0.00304062/step Wall: 14457.6, 0.00304063/step, 0.163349 hours remaining, 207.339844 MB of memory in use. ENERGY: 4806600 741.6807 2026.8130 1949.5444 108.8926 -206833.0363 18039.2240 0.0000 0.0000 34313.0458 -149653.8359 299.6644 -183966.8817 -149560.7276 298.5787 68.4486 99.0289 557799.7538 9.7484 9.8126 PRESSURE: 4806800 -424.649 39.7798 24.1688 39.7799 -145.132 -49.3438 24.1692 -49.3432 -143.627 GPRESSURE: 4806800 -343.35 73.3877 47.4272 -2.98693 -147.451 -15.6615 7.71302 -134.188 -121.496 PRESSAVG: 4806800 -69.9732 15.504 35.9509 15.504 48.4909 -47.1577 35.9508 -47.1577 7.80811 GPRESSAVG: 4806800 -70.0032 15.1823 37.1786 15.3411 48.3445 -47.3025 35.3874 -46.0645 8.02947 TIMING: 4806800 CPU: 14458.2, 0.00304258/step Wall: 14458.2, 0.00304258/step, 0.163285 hours remaining, 207.339844 MB of memory in use. ENERGY: 4806800 782.2365 2096.6741 1951.9605 112.0451 -205860.3939 17399.9241 0.0000 0.0000 34220.7936 -149296.7600 298.8587 -183517.5536 -149197.9516 299.1002 -237.8029 -204.0989 557467.1808 -4.5581 -4.5431 PRESSURE: 4807000 195.559 -78.4775 29.3407 -78.4768 409.919 313.058 29.3396 313.057 366.455 GPRESSURE: 4807000 282.295 -52.2897 21.0513 -150.757 426.766 343.241 45.5518 222.23 354.913 PRESSAVG: 4807000 -26.9596 60.352 -60.5342 60.352 -20.9886 26.175 -60.5342 26.1748 -13.0946 GPRESSAVG: 4807000 -26.6596 59.6131 -62.4785 62.0625 -21.2228 26.6054 -58.7462 25.1696 -12.9917 TIMING: 4807000 CPU: 14458.9, 0.00304149/step Wall: 14458.9, 0.00304149/step, 0.163058 hours remaining, 207.339844 MB of memory in use. ENERGY: 4807000 729.2969 2147.5678 1955.9324 124.1247 -206684.3815 18335.1425 0.0000 0.0000 34042.8704 -149349.4467 297.3049 -183392.3171 -149263.3327 298.3995 323.9777 354.6581 557197.1840 -20.3476 -20.2914 PRESSURE: 4807200 -84.1558 105.256 -33.9774 105.257 -258.007 -7.51887 -33.9778 -7.52018 -226.838 GPRESSURE: 4807200 -46.5329 172.436 68.7931 66.3459 -275.985 -49.5155 -38.9364 -42.0503 -141.299 PRESSAVG: 4807200 33.1313 -11.8414 -4.38524 -11.8414 -13.7949 12.4217 -4.38524 12.4218 -12.0002 GPRESSAVG: 4807200 34.0513 -11.2194 -1.71775 -12.4141 -14.0334 10.5615 -5.6505 15.9959 -12.1965 TIMING: 4807200 CPU: 14459.5, 0.00306586/step Wall: 14459.5, 0.00306586/step, 0.164194 hours remaining, 207.339844 MB of memory in use. ENERGY: 4807200 782.2696 2094.9919 1953.8123 112.1229 -206252.4070 17774.6314 0.0000 0.0000 34180.6447 -149353.9344 298.5081 -183534.5790 -149259.8416 298.7269 -189.6667 -154.6055 558352.0397 2.4454 2.6071 PRESSURE: 4807400 -7.92417 -3.28143 -77.8472 -3.28125 -485.929 -94.7864 -77.8467 -94.7862 -118.211 GPRESSURE: 4807400 28.9523 20.4135 -123.563 -25.9545 -448.046 -11.3256 38.8552 -125.082 -102.401 PRESSAVG: 4807400 27.1467 75.4045 -47.03 75.4045 6.30821 -43.3792 -47.0299 -43.3792 -9.33772 GPRESSAVG: 4807400 26.6087 76.3017 -46.4099 75.4864 7.0866 -40.4292 -47.7824 -46.9507 -9.99147 TIMING: 4807400 CPU: 14460.1, 0.00304676/step Wall: 14460.1, 0.00304676/step, 0.163002 hours remaining, 207.339844 MB of memory in use. ENERGY: 4807400 800.4829 2147.8489 1960.9700 130.2687 -206101.1378 17634.0355 0.0000 0.0000 34149.6293 -149277.9026 298.2372 -183427.5319 -149178.4704 299.4387 -204.0214 -173.8315 557368.1576 8.0391 7.9013 PRESSURE: 4807600 -184.821 -81.1331 -8.4256 -81.1341 161.846 -36.8567 -8.4267 -36.8569 103.939 GPRESSURE: 4807600 -130.903 -65.6778 -49.8076 -110.83 162.176 -135.581 15.0567 -48.4416 158.267 PRESSAVG: 4807600 -40.6772 -4.09497 -1.5889 -4.0949 8.40899 -39.4845 -1.58894 -39.4845 18.7913 GPRESSAVG: 4807600 -40.8562 -5.76493 -3.10328 -3.16284 7.84666 -39.9246 0.451103 -39.5473 19.7754 TIMING: 4807600 CPU: 14460.7, 0.00303362/step Wall: 14460.7, 0.00303362/step, 0.16213 hours remaining, 207.339844 MB of memory in use. ENERGY: 4807600 778.6408 2068.8520 1949.5251 118.5006 -206022.1218 17775.1863 0.0000 0.0000 34136.8264 -149194.5907 298.1254 -183331.4171 -149098.3936 299.3248 26.9877 63.1801 556991.9040 -4.4923 -4.4114 PRESSURE: 4807800 13.2441 -2.99935 -106.014 -2.99973 82.9351 178.685 -106.014 178.684 243.132 GPRESSURE: 4807800 21.6505 -38.5573 -142.612 -19.8632 148.037 147.607 -53.763 211.774 256.467 PRESSAVG: 4807800 -28.0762 20.3102 51.5663 20.3102 11.2007 -3.12862 51.5662 -3.12868 45.0002 GPRESSAVG: 4807800 -27.3875 20.2439 50.6559 21.7449 11.7875 -3.87929 52.337 -1.35085 43.4926 TIMING: 4807800 CPU: 14461.3, 0.00301817/step Wall: 14461.3, 0.00301817/step, 0.161137 hours remaining, 207.339844 MB of memory in use. ENERGY: 4807800 721.0511 2166.6992 1939.1516 104.0975 -206504.7110 17986.6641 0.0000 0.0000 34329.4490 -149257.5984 299.8076 -183587.0475 -149158.6312 299.0151 113.1037 142.0515 556455.8530 9.3749 9.2975 PRESSURE: 4808000 -212.28 -4.15017 -9.20339 -4.14986 -202.701 223.247 -9.20335 223.249 -56.5404 GPRESSURE: 4808000 -162.393 -92.5957 -1.63976 32.0944 -166.679 334.683 -89.5298 171.723 -59.0658 PRESSAVG: 4808000 -62.0204 17.3109 33.6469 17.3108 -0.335174 -20.5887 33.647 -20.5887 62.3926 GPRESSAVG: 4808000 -63.0628 16.9349 34.8836 16.1285 -1.41985 -18.7065 32.632 -20.4939 64.6299 TIMING: 4808000 CPU: 14461.9, 0.0030358/step Wall: 14461.9, 0.0030358/step, 0.161909 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: 4808000 759.8975 2130.5986 1938.4169 113.1123 -205475.8199 17435.3289 0.0000 0.0000 34182.7840 -148915.6818 298.5268 -183098.4658 -148819.4681 299.4931 -157.1739 -129.3793 556895.6794 0.0123 0.0491 PRESSURE: 4808200 -189.752 -78.294 -137.489 -78.2945 75.0591 140.908 -137.492 140.909 -65.7333 GPRESSURE: 4808200 -142.46 -39.4059 -120.891 -60.9983 93.3894 158.727 -124.163 151.215 -29.5832 PRESSAVG: 4808200 -21.4478 -43.9991 18.3374 -43.9991 30.5752 12.4366 18.3373 12.4366 -19.739 GPRESSAVG: 4808200 -20.4827 -43.2415 18.223 -43.6783 29.8467 10.2019 18.127 11.656 -20.3674 TIMING: 4808200 CPU: 14462.5, 0.00307342/step Wall: 14462.5, 0.00307342/step, 0.163745 hours remaining, 207.339844 MB of memory in use. ENERGY: 4808200 783.0026 2071.4586 1947.6969 117.3006 -205997.1039 17712.3645 0.0000 0.0000 34362.1396 -149003.1411 300.0931 -183365.2807 -148912.7993 299.9982 -60.1421 -26.2180 557880.0797 -3.5372 -3.6678 LDB: ============= START OF LOAD BALANCING ============== 14465.9 LDB: ============== END OF LOAD BALANCING =============== 14465.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14466 LDB: ============= START OF LOAD BALANCING ============== 14466.3 LDB: Largest compute 4820 load 0.024849 is 21.0% of average load 0.118126 LDB: Average compute 0.001725 is 1.5% of average load 0.118126 LDB: TIME 14466.3 LOAD: AVG 0.118126 MAX 0.215915 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.297 MB LDB: TIME 14466.3 LOAD: AVG 0.118126 MAX 0.215915 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.297 MB LDB: TIME 14466.3 LOAD: AVG 0.118126 MAX 0.215915 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.297 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14466.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14466.3 PRESSURE: 4808400 -268.674 67.6699 60.3894 67.6701 61.6189 24.7259 60.3898 24.7237 -11.8024 GPRESSURE: 4808400 -162.792 53.2147 74.3739 -29.2065 16.8862 -46.6785 63.3988 1.38045 23.9521 PRESSAVG: 4808400 -0.100078 18.303 22.5819 18.303 -43.7699 24.9338 22.5819 24.9337 89.5266 GPRESSAVG: 4808400 -0.788809 18.6502 22.766 17.4848 -44.0225 24.6265 23.6753 24.0517 90.2514 TIMING: 4808400 CPU: 14463.1, 0.00312903/step Wall: 14463.1, 0.00312903/step, 0.166534 hours remaining, 207.277344 MB of memory in use. ENERGY: 4808400 727.4203 2118.0155 1942.0093 119.6516 -205808.1796 17621.5229 0.0000 0.0000 34323.2982 -148956.2617 299.7539 -183279.5599 -148860.3306 299.7417 -72.9524 -40.6513 557907.5974 15.2189 15.1467 PRESSURE: 4808600 -184.972 -192.778 -145.579 -192.778 60.1207 -138.148 -145.579 -138.147 -92.2209 GPRESSURE: 4808600 -173.585 -153.809 -100.106 -247.391 113.718 -174.307 -152.732 -76.6811 -64.1269 PRESSAVG: 4808600 -14.7067 -22.2626 47.1592 -22.2625 -91.0011 -8.77472 47.1591 -8.77473 39.8281 GPRESSAVG: 4808600 -14.6603 -22.7632 45.2543 -22.1045 -90.0155 -7.40013 44.8629 -8.34369 38.1637 TIMING: 4808600 CPU: 14463.7, 0.00305571/step Wall: 14463.7, 0.00305571/step, 0.162462 hours remaining, 207.277344 MB of memory in use. ENERGY: 4808600 728.5972 2101.6298 1939.6400 119.5182 -206052.8620 17603.4494 0.0000 0.0000 34332.0147 -149228.0126 299.8300 -183560.0273 -149132.4708 299.6984 -72.3573 -41.3312 557673.7940 -21.9599 -22.1707 PRESSURE: 4808800 -12.991 -50.5632 196.715 -50.5626 44.1045 -38.7076 196.715 -38.7079 -90.9555 GPRESSURE: 4808800 -35.1271 -13.9664 208.79 -100.831 127.545 57.1427 181.077 -24.8492 -67.1642 PRESSAVG: 4808800 27.2162 13.164 40.3816 13.1641 35.5242 -40.9588 40.3817 -40.9588 -1.79865 GPRESSAVG: 4808800 26.6359 14.0172 41.6739 13.7718 35.4811 -41.0086 42.4746 -41.6259 -1.25142 TIMING: 4808800 CPU: 14464.4, 0.00307479/step Wall: 14464.4, 0.00307479/step, 0.163306 hours remaining, 207.277344 MB of memory in use. ENERGY: 4808800 735.8761 2099.6566 1975.3890 108.9713 -206189.8755 17858.7823 0.0000 0.0000 34217.7824 -149193.4178 298.8324 -183411.2002 -149089.6202 298.9477 -19.9474 8.4180 557684.2299 20.3139 20.2886 PRESSURE: 4809000 120.814 -5.38949 -35.0624 -5.38917 -282.19 66.1043 -35.0638 66.104 24.4836 GPRESSURE: 4809000 137.513 64.513 -31.9775 -128.017 -266.804 103.443 -93.5773 51.6352 84.2043 PRESSAVG: 4809000 -21.3773 5.27456 51.6308 5.27466 -42.8552 -31.3615 51.6308 -31.3614 47.8597 GPRESSAVG: 4809000 -20.2027 3.90111 50.6508 3.92261 -43.3006 -30.3166 51.8961 -31.3996 47.727 TIMING: 4809000 CPU: 14465, 0.00305911/step Wall: 14465, 0.00305911/step, 0.162303 hours remaining, 207.277344 MB of memory in use. ENERGY: 4809000 778.1229 2066.6988 1951.9719 119.7101 -206432.6498 18056.1427 0.0000 0.0000 33993.7041 -149466.2993 296.8755 -183460.0034 -149373.5100 299.0392 -45.6308 -15.0288 558600.9231 -5.4576 -5.2588 PRESSURE: 4809200 18.8739 0.147088 -118.484 0.146009 -298.595 -301.559 -118.482 -301.557 -143.548 GPRESSURE: 4809200 7.3356 22.247 -175.816 -30.3126 -244.137 -285.455 -157.251 -300.313 -77.7248 PRESSAVG: 4809200 53.3801 27.082 -19.035 27.082 -76.8084 -47.4312 -19.035 -47.4313 6.1577 GPRESSAVG: 4809200 53.1598 25.5652 -18.1062 28.1713 -76.7921 -47.0443 -18.8812 -46.3418 6.36188 TIMING: 4809200 CPU: 14465.6, 0.0030901/step Wall: 14465.6, 0.0030901/step, 0.163775 hours remaining, 207.277344 MB of memory in use. ENERGY: 4809200 757.5231 2083.1346 1964.6596 127.3265 -206358.2071 17722.5569 0.0000 0.0000 34145.5032 -149557.5030 298.2012 -183703.0062 -149462.2464 298.4012 -141.0896 -104.8420 557963.6149 -5.7569 -5.7568 PRESSURE: 4809400 -318.138 -168.43 52.571 -168.429 123.075 39.24 52.5718 39.241 -273.666 GPRESSURE: 4809400 -233.377 -187.886 54.1265 -160.529 139.714 -9.74741 38.0003 3.68372 -264.221 PRESSAVG: 4809400 26.2735 43.0526 -70.0429 43.0526 -88.382 0.141068 -70.043 0.140907 49.614 GPRESSAVG: 4809400 25.8895 47.6952 -72.0812 40.5303 -87.4959 -2.04996 -70.5615 -2.17043 49.4908 TIMING: 4809400 CPU: 14466.2, 0.00306228/step Wall: 14466.2, 0.00306228/step, 0.162131 hours remaining, 207.277344 MB of memory in use. ENERGY: 4809400 738.9842 2109.8143 1960.6252 115.2796 -206319.7165 17838.8626 0.0000 0.0000 33878.4544 -149677.6962 295.8690 -183556.1507 -149584.0597 298.0155 -156.2429 -119.2949 558426.1856 -4.1648 -4.0385 PRESSURE: 4809600 118.767 105.344 -0.821978 105.346 -199.626 58.967 -0.821335 58.9667 -265.404 GPRESSURE: 4809600 156.252 116.554 2.94145 90.1959 -150.867 13.569 -26.3835 -16.1491 -252.705 PRESSAVG: 4809600 -24.0076 20.0989 -47.193 20.0988 13.7055 -26.3223 -47.1931 -26.3224 4.06061 GPRESSAVG: 4809600 -23.0432 18.331 -46.2773 21.1373 12.4072 -26.6915 -47.4444 -25.2582 5.06488 TIMING: 4809600 CPU: 14466.8, 0.00303161/step Wall: 14466.8, 0.00303161/step, 0.160338 hours remaining, 207.277344 MB of memory in use. ENERGY: 4809600 780.4331 2114.8755 1944.8934 117.5842 -206808.8362 17912.9316 0.0000 0.0000 34483.6019 -149454.5165 301.1539 -183938.1184 -149363.4548 298.3666 -115.4211 -82.4403 557286.3820 -2.0805 -1.8570 PRESSURE: 4809800 43.9926 -8.92053 -50.8323 -8.92041 131.248 -135.035 -50.8323 -135.033 -84.1384 GPRESSURE: 4809800 58.2598 -34.6643 15.3982 -52.859 190.765 -56.6312 -114.621 -111.105 -43.2964 PRESSAVG: 4809800 44.0214 -30.0642 4.94553 -30.0642 -52.2481 -4.38413 4.94552 -4.38419 -26.9393 GPRESSAVG: 4809800 44.2681 -31.5114 4.58594 -28.8208 -51.4851 -2.68475 7.56741 -4.39494 -27.6732 TIMING: 4809800 CPU: 14467.4, 0.0030043/step Wall: 14467.4, 0.0030043/step, 0.158727 hours remaining, 207.277344 MB of memory in use. ENERGY: 4809800 754.2982 2094.6161 1972.7404 110.0263 -206526.6609 17996.9823 0.0000 0.0000 33979.1277 -149618.8700 296.7482 -183597.9977 -149509.8269 298.1198 30.3675 68.5760 557303.8607 -11.7220 -11.6301 PRESSURE: 4810000 7.27079 36.6004 175.219 36.599 242.686 -18.6483 175.218 -18.6491 52.6724 GPRESSURE: 4810000 22.4609 -32.6562 163.909 86.5102 296.912 28.2833 198.861 3.35808 72.5152 PRESSAVG: 4810000 1.41026 -20.3861 5.50285 -20.3861 34.1502 7.91392 5.50283 7.91386 -15.3419 GPRESSAVG: 4810000 0.342384 -19.3332 8.51029 -20.5627 32.5023 7.1445 3.45782 9.8575 -12.2952 TIMING: 4810000 CPU: 14468, 0.00301698/step Wall: 14468, 0.00301698/step, 0.159229 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: 4810000 700.1028 2102.5920 1917.0725 111.7391 -206522.2736 18019.7977 0.0000 0.0000 34081.5187 -149589.4507 297.6424 -183670.9694 -149483.7316 297.6933 100.8765 130.6295 556649.0497 6.7395 6.8498 PRESSURE: 4810200 -41.554 72.1008 8.58192 72.1016 -267.968 92.0467 8.5812 92.0475 119.322 GPRESSURE: 4810200 2.975 64.6994 68.7522 62.8182 -225.719 195.364 -18.5606 -17.5393 145.77 PRESSAVG: 4810200 -52.1611 -21.7797 -0.74809 -21.7796 14.9791 0.284692 -0.74791 0.284694 -7.85184 GPRESSAVG: 4810200 -51.0885 -22.5704 -3.02312 -19.2596 16.0463 0.984378 -0.974942 -2.63836 -9.53986 TIMING: 4810200 CPU: 14468.6, 0.0030207/step Wall: 14468.6, 0.0030207/step, 0.159258 hours remaining, 207.277344 MB of memory in use. ENERGY: 4810200 743.1033 2125.1180 1958.7766 107.5939 -206528.4934 17881.1941 0.0000 0.0000 34169.1565 -149543.5510 298.4077 -183712.7075 -149448.7204 297.9748 -63.3998 -25.6583 556790.4753 -15.0113 -14.8607 PRESSURE: 4810400 -254.063 -1.42826 -70.6385 -1.42709 -484.706 -199.635 -70.6367 -199.635 -246.429 GPRESSURE: 4810400 -234.883 15.407 -67.5584 -24.337 -456.743 -284.725 -152.793 -205.764 -198.756 PRESSAVG: 4810400 -16.5969 -33.9144 17.5199 -33.9145 -43.7788 -43.7271 17.52 -43.7272 -23.5376 GPRESSAVG: 4810400 -16.5927 -32.2161 17.8496 -36.0714 -43.6623 -43.0949 17.2396 -42.4225 -23.4197 TIMING: 4810400 CPU: 14469.2, 0.0030154/step Wall: 14469.2, 0.0030154/step, 0.158811 hours remaining, 207.277344 MB of memory in use. ENERGY: 4810400 764.9593 2140.4912 1938.4172 102.8869 -205847.6349 17343.2492 0.0000 0.0000 34030.5430 -149527.0881 297.1972 -183557.6311 -149434.6137 298.4115 -328.3990 -296.7939 558953.0797 -27.9711 -27.8916 PRESSURE: 4810600 120.059 -103.185 12.8822 -103.185 -35.415 0.65029 12.8835 0.650742 -281.032 GPRESSURE: 4810600 107.832 -98.1958 30.9222 -212.698 1.16635 13.8345 82.5922 7.00797 -207.864 PRESSAVG: 4810600 39.0251 -18.4913 -7.03165 -18.4913 45.7217 48.5058 -7.03161 48.5058 -54.4614 GPRESSAVG: 4810600 39.021 -18.2335 -7.76735 -20.4509 46.7453 48.1764 -5.63032 46.839 -55.1768 TIMING: 4810600 CPU: 14469.8, 0.00302476/step Wall: 14469.8, 0.00302476/step, 0.159136 hours remaining, 207.277344 MB of memory in use. ENERGY: 4810600 738.4244 2126.9794 1934.3326 108.5141 -206528.4129 17803.9969 0.0000 0.0000 34395.9846 -149420.1810 300.3887 -183816.1656 -149317.2494 298.6570 -65.4629 -32.9553 558092.7973 10.0951 10.1965 PRESSURE: 4810800 -93.0926 -24.7634 -54.3277 -24.7635 -149.756 -50.2604 -54.3271 -50.2602 -229.486 GPRESSURE: 4810800 -73.9065 -113.749 -22.9459 -29.155 -100.807 -74.6846 -20.7333 -92.0235 -203.406 PRESSAVG: 4810800 16.1918 -8.89086 1.44135 -8.89087 34.3267 -2.74067 1.4413 -2.74059 -55.5403 GPRESSAVG: 4810800 15.2578 -12.2874 1.41522 -6.15325 34.0432 -4.73608 2.42455 -1.69749 -53.9736 TIMING: 4810800 CPU: 14470.4, 0.00304682/step Wall: 14470.4, 0.00304682/step, 0.160127 hours remaining, 207.277344 MB of memory in use. ENERGY: 4810800 728.2067 2112.7551 1944.5007 117.0523 -205920.2311 17584.6992 0.0000 0.0000 34275.4320 -149157.5851 299.3359 -183433.0171 -149063.5693 298.8265 -157.4448 -126.0399 559246.7256 -1.6739 -1.5575 PRESSURE: 4811000 1.93977 184.175 61.6871 184.175 -135.951 -22.757 61.6864 -22.7562 30.1345 GPRESSURE: 4811000 37.0227 174.766 65.262 255.71 -111.834 4.28823 95.4872 -25.0386 73.805 PRESSAVG: 4811000 32.8172 17.0819 20.3406 17.082 -40.4266 32.7776 20.3406 32.7776 -62.6004 GPRESSAVG: 4811000 33.2948 19.589 19.3457 16.9756 -40.6046 33.4736 17.4434 31.6868 -63.1563 TIMING: 4811000 CPU: 14471, 0.00304729/step Wall: 14471, 0.00304729/step, 0.159983 hours remaining, 207.277344 MB of memory in use. ENERGY: 4811000 751.2315 2112.3557 1925.3047 122.4801 -206305.6865 17889.0718 0.0000 0.0000 34229.2000 -149276.0427 298.9321 -183505.2427 -149183.6153 298.9347 -34.6256 -0.3354 557849.8108 -23.4033 -23.4887 PRESSURE: 4811200 98.2478 135.355 146.78 135.356 -52.7446 -4.29415 146.78 -4.29288 -104.344 GPRESSURE: 4811200 189.74 163.252 158.61 160.157 -67.1527 12.8705 132.342 -49.7544 -79.8138 PRESSAVG: 4811200 1.19686 -7.56035 51.4488 -7.5604 -7.33584 -58.3689 51.449 -58.3689 -0.163829 GPRESSAVG: 4811200 1.60246 -7.56469 51.4349 -6.80333 -7.11314 -57.6937 53.9101 -56.4342 -0.397939 TIMING: 4811200 CPU: 14471.7, 0.00302609/step Wall: 14471.7, 0.00302609/step, 0.158701 hours remaining, 207.277344 MB of memory in use. ENERGY: 4811200 713.1846 2048.4723 1956.2429 112.7136 -205800.5556 17757.9318 0.0000 0.0000 33945.9980 -149266.0124 296.4588 -183212.0104 -149166.8241 299.3910 -19.6136 14.2579 557770.9589 -2.1009 -1.9695 PRESSURE: 4811400 -79.0976 -63.1942 16.5089 -63.1931 225.302 -58.2194 16.508 -58.2201 68.5482 GPRESSURE: 4811400 -39.3642 -89.7449 -47.465 -11.5041 336.799 -81.7408 20.9615 -144.211 28.1297 PRESSAVG: 4811400 -14.4779 -48.4056 74.2161 -48.4056 55.0851 -24.8744 74.2161 -24.8744 -38.3729 GPRESSAVG: 4811400 -14.0919 -46.8062 76.1013 -50.0691 54.7665 -25.6174 72.411 -24.7803 -38.4424 TIMING: 4811400 CPU: 14472.3, 0.00303074/step Wall: 14472.3, 0.00303074/step, 0.158777 hours remaining, 207.277344 MB of memory in use. ENERGY: 4811400 728.8356 2106.5654 1914.7086 101.9493 -206042.3715 17771.3837 0.0000 0.0000 34154.9768 -149263.9520 298.2839 -183418.9288 -149161.7652 298.1327 71.5844 108.5215 556144.5891 0.7448 0.7441 PRESSURE: 4811600 -80.6227 38.5454 14.0521 38.5455 54.938 63.0749 14.0523 63.073 -141.863 GPRESSURE: 4811600 -76.2208 54.1797 -93.4767 13.3204 75.3242 15.537 72.0612 98.6997 -72.2255 PRESSAVG: 4811600 -38.5388 -11.2079 24.194 -11.2079 9.70674 4.01107 24.194 4.01103 5.62608 GPRESSAVG: 4811600 -38.0003 -13.0013 22.9982 -10.8718 9.64954 3.53393 23.7462 4.05121 5.13978 TIMING: 4811600 CPU: 14472.9, 0.00301082/step Wall: 14472.9, 0.00301082/step, 0.157566 hours remaining, 207.277344 MB of memory in use. ENERGY: 4811600 739.5000 2069.1619 1941.0025 105.8153 -205798.7740 17651.6802 0.0000 0.0000 34027.7270 -149263.8871 297.1726 -183291.6141 -149166.8523 297.7925 -55.8492 -24.3741 557255.4072 -7.7353 -7.7370 PRESSURE: 4811800 176.547 26.7325 -22.5722 26.7319 65.6336 -8.04687 -22.5722 -8.04792 -75.9982 GPRESSURE: 4811800 225.527 39.4246 -65.4003 -7.41671 37.2331 14.9696 -77.8615 -28.5338 -0.41594 PRESSAVG: 4811800 -39.8939 -0.00334094 5.90961 -0.00321895 90.3654 -14.7987 5.90957 -14.7987 -65.637 GPRESSAVG: 4811800 -40.1744 0.281098 7.80364 -1.11555 90.7672 -12.292 5.6068 -16.7119 -65.8923 TIMING: 4811800 CPU: 14473.5, 0.00301366/step Wall: 14473.5, 0.00301366/step, 0.157548 hours remaining, 207.277344 MB of memory in use. ENERGY: 4811800 715.8325 2107.1075 1955.6254 104.9945 -206389.0368 17943.6172 0.0000 0.0000 34328.5293 -149233.3305 299.7996 -183561.8597 -149145.0908 298.1548 55.3941 87.4480 556948.2248 -5.0552 -5.0998 PRESSURE: 4812000 12.0284 62.5775 2.04044 62.5758 -116.843 94.8901 2.04039 94.8911 70.703 GPRESSURE: 4812000 22.6005 64.0687 52.261 92.1104 -81.3816 41.4918 -126.076 122.696 134.165 PRESSAVG: 4812000 34.3276 -32.529 25.5348 -32.5289 0.357811 27.0753 25.5347 27.0754 -22.8599 GPRESSAVG: 4812000 34.0234 -35.1885 22.6625 -29.3821 0.00744125 25.5581 26.5885 27.4288 -22.6333 TIMING: 4812000 CPU: 14474.1, 0.00304713/step Wall: 14474.1, 0.00304713/step, 0.159128 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: 4812000 743.3993 1994.2157 1958.9150 101.6404 -205831.3067 17667.3934 0.0000 0.0000 34192.7742 -149172.9687 298.6140 -183365.7429 -149075.2555 299.0845 -11.3704 25.1280 557973.1293 3.9419 3.7992 PRESSURE: 4812200 -83.3531 1.7555 43.1809 1.75526 -175.537 108.092 43.1809 108.093 -157.536 GPRESSURE: 4812200 2.44452 -35.5565 -16.7083 42.9391 -157.795 233.377 -44.6411 69.9667 -176.004 PRESSAVG: 4812200 57.8797 73.2098 42.5557 73.2097 -0.453807 49.1862 42.5557 49.1861 -67.0718 GPRESSAVG: 4812200 56.7752 73.9939 45.2886 73.2528 0.620467 47.8191 41.2875 51.656 -66.9162 TIMING: 4812200 CPU: 14474.7, 0.00303103/step Wall: 14474.7, 0.00303103/step, 0.158119 hours remaining, 207.277344 MB of memory in use. ENERGY: 4812200 735.8596 2028.4882 1935.7952 92.7059 -205645.6930 17544.0994 0.0000 0.0000 34154.8929 -149153.8518 298.2832 -183308.7447 -149059.1707 298.8467 -138.8087 -110.4516 559929.4634 -3.2153 -3.1735 LDB: ============= START OF LOAD BALANCING ============== 14478.1 LDB: ============== END OF LOAD BALANCING =============== 14478.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14478.1 LDB: ============= START OF LOAD BALANCING ============== 14478.4 LDB: Largest compute 4820 load 0.028652 is 24.2% of average load 0.118178 LDB: Average compute 0.001737 is 1.5% of average load 0.118178 LDB: TIME 14478.4 LOAD: AVG 0.118178 MAX 0.216912 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.301 MB LDB: TIME 14478.4 LOAD: AVG 0.118178 MAX 0.216912 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.363 MB LDB: TIME 14478.4 LOAD: AVG 0.118178 MAX 0.216912 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.363 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14478.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14478.4 PRESSURE: 4812400 67.2575 23.2966 -61.9866 23.2976 68.073 4.51789 -61.9865 4.51923 101.864 GPRESSURE: 4812400 86.9941 9.68628 -8.21803 28.4803 93.0903 46.4956 -51.0672 16.6873 155.517 PRESSAVG: 4812400 -18.5664 43.8469 -10.1865 43.8468 25.5392 0.104769 -10.1864 0.104825 6.54692 GPRESSAVG: 4812400 -17.8244 46.7085 -10.4986 41.4813 25.2963 -0.386014 -9.28015 0.427922 6.08003 TIMING: 4812400 CPU: 14475.3, 0.00308817/step Wall: 14475.3, 0.00308817/step, 0.160928 hours remaining, 207.789062 MB of memory in use. ENERGY: 4812400 724.4561 2023.2421 1951.3294 108.5924 -206332.3595 17882.6293 0.0000 0.0000 34442.7936 -149199.3166 300.7975 -183642.1102 -149099.9159 299.5443 79.0649 111.8670 558589.9534 4.5066 4.5173 PRESSURE: 4812600 214.103 -35.1903 -114.09 -35.1908 48.9502 -41.6125 -114.09 -41.614 -193.924 GPRESSURE: 4812600 246.676 19.3609 -88.3064 -62.668 58.8762 -95.419 -41.2777 -21.1124 -145.939 PRESSAVG: 4812600 34.2501 -29.6547 -21.8085 -29.6548 -42.5122 -34.4772 -21.8084 -34.4771 37.2077 GPRESSAVG: 4812600 35.0476 -30.9456 -23.0995 -29.676 -43.3248 -34.3927 -22.8615 -35.4827 37.6615 TIMING: 4812600 CPU: 14475.9, 0.00302388/step Wall: 14475.9, 0.00302388/step, 0.15741 hours remaining, 207.789062 MB of memory in use. ENERGY: 4812600 746.4795 2052.3578 1951.6094 99.5530 -206342.5379 17979.4651 0.0000 0.0000 34167.9911 -149345.0821 298.3976 -183513.0732 -149246.1279 299.5972 23.0430 53.2043 557545.2052 9.6486 9.7948 PRESSURE: 4812800 52.5836 53.8744 19.9376 53.8739 -88.8046 -132.781 19.938 -132.78 -116.209 GPRESSURE: 4812800 86.4493 113.48 27.2253 -26.8756 -34.1468 -94.0793 -53.1581 -129.062 -98.1798 PRESSAVG: 4812800 17.4003 15.047 29.7067 15.0471 -4.3192 -40.9853 29.7067 -40.9855 -8.95435 GPRESSAVG: 4812800 16.9597 14.0887 27.5532 15.6566 -3.91668 -39.3459 32.8639 -40.9816 -8.85876 TIMING: 4812800 CPU: 14476.5, 0.00302677/step Wall: 14476.5, 0.00302677/step, 0.157392 hours remaining, 207.789062 MB of memory in use. ENERGY: 4812800 772.1710 2001.0945 1926.6364 110.9176 -206129.4267 17793.1576 0.0000 0.0000 34100.3408 -149425.1088 297.8068 -183525.4496 -149322.6059 298.2383 -50.8101 -15.2924 559464.7266 1.3756 1.3947 PRESSURE: 4813000 -80.6478 20.168 70.2742 20.1677 -175.562 -38.3163 70.2746 -38.3166 -43.7591 GPRESSURE: 4813000 -73.6041 -60.8529 54.9892 83.7939 -143.329 51.9731 104.158 -59.4475 2.92641 PRESSAVG: 4813000 -24.431 22.4485 4.86574 22.4485 48.5469 -31.7277 4.86574 -31.7277 -4.96771 GPRESSAVG: 4813000 -25.2568 24.0725 8.04958 21.1266 49.2597 -34.299 3.27493 -30.2129 -5.01378 TIMING: 4813000 CPU: 14477.1, 0.00304357/step Wall: 14477.1, 0.00304357/step, 0.158097 hours remaining, 207.789062 MB of memory in use. ENERGY: 4813000 752.3523 2068.2875 1917.2421 104.0355 -206410.3306 17913.8974 0.0000 0.0000 34113.6530 -149540.8629 297.9230 -183654.5159 -149445.1987 297.7975 -99.9895 -71.3355 559699.9611 6.3827 6.3297 PRESSURE: 4813200 -24.8571 20.5755 41.7861 20.5771 -267.463 107.965 41.7848 107.966 -63.956 GPRESSURE: 4813200 -12.026 -76.5617 -11.8683 10.5618 -153.101 126.556 139.057 170.566 -99.0192 PRESSAVG: 4813200 -17.1799 9.03431 -4.34972 9.03438 3.72399 27.5822 -4.34973 27.5822 22.8495 GPRESSAVG: 4813200 -16.171 8.52796 -5.84609 9.514 2.11146 28.9481 -5.17987 24.6701 23.2569 TIMING: 4813200 CPU: 14477.7, 0.00304991/step Wall: 14477.7, 0.00304991/step, 0.158256 hours remaining, 207.789062 MB of memory in use. ENERGY: 4813200 740.2356 2070.7452 1939.0896 116.0331 -206314.1871 17701.2241 0.0000 0.0000 34388.9464 -149357.9130 300.3272 -183746.8595 -149258.0822 298.4174 -118.7588 -88.0488 558057.0103 3.1312 3.0658 PRESSURE: 4813400 87.7899 71.9819 -120.121 71.9817 14.0814 232.627 -120.123 232.629 261.465 GPRESSURE: 4813400 141.17 80.6289 -61.683 51.7624 -0.461724 214.274 -174.993 184.489 322.827 PRESSAVG: 4813400 15.1038 34.6644 12.749 34.6644 24.0223 47.6802 12.749 47.6803 -37.9855 GPRESSAVG: 4813400 14.7828 33.1758 14.1734 37.9075 24.7207 46.9138 13.1462 48.4532 -38.2462 TIMING: 4813400 CPU: 14478.3, 0.00305116/step Wall: 14478.3, 0.00305116/step, 0.158152 hours remaining, 207.789062 MB of memory in use. ENERGY: 4813400 777.9933 1983.2845 1950.6441 114.7400 -206398.4636 17861.9491 0.0000 0.0000 34182.4369 -149527.4157 298.5237 -183709.8525 -149435.6232 299.0132 121.1122 154.5115 557736.0789 0.3802 0.4191 PRESSURE: 4813600 -338.588 50.5311 -57.1867 50.5316 -171.015 -139.92 -57.1861 -139.92 -73.2031 GPRESSURE: 4813600 -295.047 1.72722 -7.4459 27.7978 -124.911 -185.983 -53.0928 -162.139 -68.0354 PRESSAVG: 4813600 13.7021 -14.554 2.22449 -14.554 -65.078 21.1814 2.22449 21.1814 25.9913 GPRESSAVG: 4813600 12.6048 -14.5925 0.0367423 -15.0654 -64.3324 21.2356 3.64238 21.342 25.7642 TIMING: 4813600 CPU: 14479, 0.00307287/step Wall: 14479, 0.00307287/step, 0.159106 hours remaining, 207.789062 MB of memory in use. ENERGY: 4813600 770.9915 2055.2966 1955.1297 126.3544 -206041.9255 17555.2279 0.0000 0.0000 33995.2900 -149583.6355 296.8893 -183578.9254 -149486.9270 297.9570 -194.2687 -162.6644 557522.3330 -8.4615 -8.6545 PRESSURE: 4813800 252.471 -4.23585 -55.6435 -4.23543 -176.703 89.44 -55.644 89.4396 122.045 GPRESSURE: 4813800 241.996 -77.1815 -86.6374 12.3565 -119.754 157.197 -60.1896 8.60683 175.123 PRESSAVG: 4813800 -56.2407 30.3164 -40.1599 30.3165 -11.2009 -17.4821 -40.1599 -17.4821 54.0815 GPRESSAVG: 4813800 -54.9124 31.7441 -38.7689 28.6176 -10.9696 -16.9481 -42.6892 -16.7494 52.5566 TIMING: 4813800 CPU: 14479.6, 0.00305145/step Wall: 14479.6, 0.00305145/step, 0.157828 hours remaining, 207.789062 MB of memory in use. ENERGY: 4813800 736.9303 2071.2380 1923.4167 108.0464 -206573.4591 17952.2107 0.0000 0.0000 34227.6182 -149553.9987 298.9183 -183781.6169 -149460.0870 298.8145 65.9380 99.1218 554625.7149 -4.4534 -4.4418 PRESSURE: 4814000 -1.32683 19.4761 -35.6779 19.4759 -327.081 -17.4982 -35.6766 -17.4988 46.1926 GPRESSURE: 4814000 0.884677 6.54357 5.34114 -17.3631 -227.499 -53.8241 -94.8393 -8.26881 27.019 PRESSAVG: 4814000 22.7251 48.3178 30.1081 48.3178 -42.271 -0.51444 30.1081 -0.514445 3.1732 GPRESSAVG: 4814000 21.0457 48.7788 28.4759 48.7861 -43.0326 -1.69222 30.2122 0.0433906 5.65158 TIMING: 4814000 CPU: 14480.2, 0.00299832/step Wall: 14480.2, 0.00299832/step, 0.154913 hours remaining, 207.789062 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: 4814000 717.5129 2089.6223 1946.3393 106.5771 -206667.2232 17805.5673 0.0000 0.0000 34330.8734 -149670.7310 299.8201 -184001.6044 -149576.8095 298.4580 -94.0717 -66.5319 555421.2959 -5.4576 -5.4451 PRESSURE: 4814200 -275.451 21.625 32.546 21.6241 42.6791 75.1627 32.5464 75.1622 293.021 GPRESSURE: 4814200 -215.022 14.2119 109.002 58.8889 66.5021 126.236 -17.4888 95.1544 315.465 PRESSAVG: 4814200 -50.3323 26.9911 4.44316 26.9911 -15.4198 -15.7966 4.44311 -15.7966 62.0747 GPRESSAVG: 4814200 -48.0861 26.4914 5.31946 26.6695 -16.2828 -12.3105 3.70124 -18.2904 61.0805 TIMING: 4814200 CPU: 14480.8, 0.00301046/step Wall: 14480.8, 0.00301046/step, 0.155373 hours remaining, 207.789062 MB of memory in use. ENERGY: 4814200 756.7836 2009.8281 1930.6570 110.3504 -206404.2532 17917.8945 0.0000 0.0000 34017.4373 -149661.3022 297.0827 -183678.7395 -149562.0035 298.0258 20.0828 55.6485 557042.4482 -1.2258 -1.0961 PRESSURE: 4814400 -98.9684 30.5248 63.5134 30.5261 -406.501 60.3667 63.5134 60.367 -72.4551 GPRESSURE: 4814400 -70.9802 56.3295 122.866 88.6702 -370.687 86.2504 88.0688 124.562 -42.0183 PRESSAVG: 4814400 -27.3001 42.0705 -16.1136 42.0705 -36.0168 -3.02451 -16.1136 -3.02441 25.8398 GPRESSAVG: 4814400 -27.7289 45.2146 -16.915 39.5096 -34.8366 -3.65261 -15.9201 -2.36893 25.2884 TIMING: 4814400 CPU: 14481.4, 0.00304124/step Wall: 14481.4, 0.00304124/step, 0.156793 hours remaining, 207.789062 MB of memory in use. ENERGY: 4814400 727.9321 2105.7427 1959.6382 118.9846 -206013.3982 17388.1902 0.0000 0.0000 34161.3132 -149551.5972 298.3392 -183712.9104 -149460.5073 298.0161 -192.6415 -161.2284 556506.1252 -12.4924 -12.4257 PRESSURE: 4814600 76.5202 91.4261 151.222 91.4273 -34.1123 -95.9957 151.223 -95.9958 17.1619 GPRESSURE: 4814600 57.899 69.3293 146.449 105.152 66.9613 -123.323 65.4195 -114.509 23.2293 PRESSAVG: 4814600 19.3035 22.5384 14.4706 22.5383 -14.3683 -41.1458 14.4707 -41.1459 35.6133 GPRESSAVG: 4814600 19.36 20.6056 13.9317 24.3749 -14.6038 -44.2633 17.4627 -41.179 35.2769 TIMING: 4814600 CPU: 14482, 0.00304928/step Wall: 14482, 0.00304928/step, 0.157038 hours remaining, 207.789062 MB of memory in use. ENERGY: 4814600 774.1037 2112.9691 1942.1286 114.4486 -206282.0932 17720.0782 0.0000 0.0000 34168.0288 -149450.3362 298.3979 -183618.3650 -149362.3393 298.5848 19.8566 49.3632 555389.9409 13.5162 13.3443 PRESSURE: 4814800 -24.2738 -112.33 -50.0491 -112.33 74.5803 -40.1326 -50.0485 -40.1332 2.7383 GPRESSURE: 4814800 28.2152 -32.6325 -99.8227 -189.038 126.693 -86.3187 30.4603 -6.22618 -5.19789 PRESSAVG: 4814800 77.7146 -8.11889 44.6567 -8.11881 -20.2455 -24.1815 44.6566 -24.1815 -26.8727 GPRESSAVG: 4814800 77.4271 -8.1241 43.2665 -7.2423 -20.5542 -23.0386 44.2024 -25.3095 -25.6177 TIMING: 4814800 CPU: 14482.6, 0.00302354/step Wall: 14482.6, 0.00302354/step, 0.155544 hours remaining, 207.789062 MB of memory in use. ENERGY: 4814800 740.9908 2092.0652 1936.1894 130.7455 -206361.7870 17868.7313 0.0000 0.0000 34122.8371 -149470.2276 298.0032 -183593.0648 -149375.4394 298.6926 17.6816 49.9034 557050.3563 10.1988 10.4184 PRESSURE: 4815000 191.191 34.8635 -161.726 34.8645 -206.661 143.154 -161.725 143.155 -110.445 GPRESSURE: 4815000 190.006 35.0164 -134.586 21.6858 -182.538 187.83 -85.8871 84.7137 -41.4686 PRESSAVG: 4815000 39.0697 -16.9467 26.7283 -16.9467 -14.3395 12.1725 26.7284 12.1725 -27.4291 GPRESSAVG: 4815000 38.3023 -17.8954 28.299 -16.5969 -14.2134 12.3918 25.2329 12.276 -26.89 TIMING: 4815000 CPU: 14483.2, 0.00304859/step Wall: 14483.2, 0.00304859/step, 0.156663 hours remaining, 207.789062 MB of memory in use. ENERGY: 4815000 797.4256 2090.1897 1959.7888 104.4077 -206303.6346 17948.8137 0.0000 0.0000 33923.2960 -149479.7131 296.2606 -183403.0091 -149386.0092 298.0930 -41.9718 -11.3334 557736.0333 -0.8997 -0.9337 PRESSURE: 4815200 -77.5219 -85.7774 153.552 -85.7774 -313.191 140.901 153.553 140.902 172.442 GPRESSURE: 4815200 -38.7261 -72.4507 244.836 -88.7354 -280.46 185.315 108.593 75.62 184.872 PRESSAVG: 4815200 -4.44485 -4.57045 -22.1124 -4.57039 -23.6669 -14.4274 -22.1123 -14.4274 80.1387 GPRESSAVG: 4815200 -4.43109 -3.95224 -22.0531 -5.31388 -23.9089 -13.4759 -21.4408 -12.5405 79.5841 TIMING: 4815200 CPU: 14483.8, 0.00306071/step Wall: 14483.8, 0.00306071/step, 0.157116 hours remaining, 207.789062 MB of memory in use. ENERGY: 4815200 757.6360 2031.6312 1932.3427 122.1452 -205980.0274 17612.7109 0.0000 0.0000 34083.9212 -149439.6402 297.6634 -183523.5614 -149340.5931 298.2686 -72.7570 -44.7713 558276.9328 17.3423 17.0814 PRESSURE: 4815400 -2.50694 -206.754 -13.115 -206.755 52.2819 -79.9536 -13.1136 -79.9533 125.653 GPRESSURE: 4815400 59.2219 -236.747 3.13871 -182.417 113.293 -56.1786 -5.62536 -117.729 95.3302 PRESSAVG: 4815400 -28.9338 28.8614 -13.7285 28.8614 -49.2277 1.14011 -13.7284 1.14016 53.0954 GPRESSAVG: 4815400 -27.4726 28.3449 -13.8154 28.7746 -49.8424 -0.121201 -15.334 2.13655 51.8898 TIMING: 4815400 CPU: 14484.4, 0.00307693/step Wall: 14484.4, 0.00307693/step, 0.157778 hours remaining, 207.789062 MB of memory in use. ENERGY: 4815400 719.4677 2111.3686 1969.7306 101.4337 -206219.0550 17924.9347 0.0000 0.0000 34073.3094 -149318.8103 297.5707 -183392.1196 -149224.2173 298.4761 58.4759 89.2818 557195.1808 -8.3554 -8.4751 PRESSURE: 4815600 180.235 122.813 145.114 122.813 -38.0646 113.981 145.115 113.981 120.302 GPRESSURE: 4815600 203.941 127.794 129.92 83.8548 24.8349 253.729 111.375 49.8127 127.711 PRESSAVG: 4815600 -9.79957 44.8028 -5.92167 44.8028 24.4363 -5.45599 -5.92162 -5.45608 -52.426 GPRESSAVG: 4815600 -10.5019 43.0121 -6.27521 47.7537 25.0106 -4.11933 -4.37514 -7.6605 -52.5112 TIMING: 4815600 CPU: 14485, 0.00305577/step Wall: 14485, 0.00305577/step, 0.156523 hours remaining, 207.789062 MB of memory in use. ENERGY: 4815600 742.2651 2031.2547 1970.8722 103.5233 -206494.6629 17976.7103 0.0000 0.0000 34259.2660 -149410.7712 299.1947 -183670.0372 -149318.7361 298.2422 87.4908 118.8291 555652.8081 -12.5964 -12.6675 PRESSURE: 4815800 -112.402 198.037 -26.8787 198.037 184.937 -132.173 -26.8776 -132.174 -274.653 GPRESSURE: 4815800 -44.606 235.499 -42.6949 72.1809 218.342 -198.569 -11.7585 -60.045 -289.856 PRESSAVG: 4815800 3.59791 1.87232 -20.6323 1.87229 10.0083 6.0294 -20.6324 6.02924 -20.3267 GPRESSAVG: 4815800 3.35971 5.02301 -18.987 -1.25152 9.34644 3.6575 -19.6709 7.53169 -19.0611 TIMING: 4815800 CPU: 14485.6, 0.00306694/step Wall: 14485.6, 0.00306694/step, 0.156925 hours remaining, 207.789062 MB of memory in use. ENERGY: 4815800 766.8119 2099.2203 1937.9477 107.8803 -206264.6090 17746.1494 0.0000 0.0000 34227.4413 -149379.1581 298.9168 -183606.5994 -149283.3347 299.1863 -67.3723 -38.7066 557427.0184 -2.2402 -2.1183 PRESSURE: 4816000 -81.8498 34.1646 -5.7554 34.1655 -238.516 28.712 -5.75575 28.7131 95.8977 GPRESSURE: 4816000 -80.7399 71.8743 2.21563 -26.6243 -173.661 24.5537 11.6796 -11.5779 112.727 PRESSAVG: 4816000 35.9573 7.97227 48.4141 7.97231 -50.3802 37.29 48.4141 37.2901 0.547392 GPRESSAVG: 4816000 36.3435 5.83281 48.4846 9.74019 -50.3311 38.9061 47.4259 34.1197 -0.122692 TIMING: 4816000 CPU: 14486.3, 0.00307867/step Wall: 14486.3, 0.00307867/step, 0.157354 hours remaining, 207.789062 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: 4816000 769.4657 2052.7083 1943.2700 124.3758 -206146.7592 17748.6986 0.0000 0.0000 34147.7518 -149360.4888 298.2208 -183508.2406 -149267.8531 299.3663 -74.8226 -47.2246 556727.4949 -4.6252 -4.7034 PRESSURE: 4816200 -351.717 -51.8698 55.9708 -51.8689 213.015 55.3481 55.9706 55.3481 -141.416 GPRESSURE: 4816200 -311.143 -90.902 -30.9557 -8.05384 253.731 -37.0859 153.511 65.8872 -135.95 PRESSAVG: 4816200 44.2203 39.6018 5.40086 39.6017 -12.2462 2.67937 5.40078 2.67939 -26.3087 GPRESSAVG: 4816200 44.148 40.6583 5.68237 37.4591 -11.9522 0.735004 4.21906 5.74879 -26.7774 TIMING: 4816200 CPU: 14486.9, 0.00303583/step Wall: 14486.9, 0.00303583/step, 0.154996 hours remaining, 207.789062 MB of memory in use. ENERGY: 4816200 741.1618 2070.9783 1948.9870 123.4441 -206277.2105 17853.9622 0.0000 0.0000 34123.5574 -149415.1198 298.0095 -183538.6772 -149322.2593 299.4104 -93.3728 -64.4537 558099.7198 1.8885 1.8061 LDB: ============= START OF LOAD BALANCING ============== 14490.3 LDB: ============== END OF LOAD BALANCING =============== 14490.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14490.3 LDB: ============= START OF LOAD BALANCING ============== 14490.6 LDB: Largest compute 4820 load 0.028203 is 23.9% of average load 0.118158 LDB: Average compute 0.001735 is 1.5% of average load 0.118158 LDB: TIME 14490.6 LOAD: AVG 0.118158 MAX 0.22016 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.047 MB LDB: TIME 14490.6 LOAD: AVG 0.118158 MAX 0.22016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.047 MB LDB: TIME 14490.6 LOAD: AVG 0.118158 MAX 0.22016 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.047 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14490.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14490.6 PRESSURE: 4816400 87.0121 -78.2374 6.9913 -78.2372 -152.51 -29.5702 6.99099 -29.5708 -66.7159 GPRESSURE: 4816400 145.991 -118.811 9.46137 -28.6218 -154.243 -4.93133 -18.3634 -60.2369 -47.8537 PRESSAVG: 4816400 -24.9671 36.2097 50.6645 36.2097 64.5414 -18.2288 50.6645 -18.2289 -28.4902 GPRESSAVG: 4816400 -24.2859 34.8132 50.5946 38.8474 64.1656 -17.0144 51.1045 -21.4029 -28.236 TIMING: 4816400 CPU: 14487.5, 0.0031253/step Wall: 14487.5, 0.0031253/step, 0.15939 hours remaining, 207.789062 MB of memory in use. ENERGY: 4816400 759.0754 2105.5820 1933.7628 110.7683 -206406.1208 17670.0050 0.0000 0.0000 34482.6669 -149344.2605 301.1457 -183826.9274 -149241.5920 298.8642 -44.0712 -18.7018 556722.4317 3.6947 3.8813 PRESSURE: 4816600 318.456 -100.804 -9.5198 -100.805 150.691 -36.4482 -9.51899 -36.4496 65.5023 GPRESSURE: 4816600 399.778 -63.7496 81.7541 -191.538 99.4908 -83.3316 -68.6415 19.9114 128.152 PRESSAVG: 4816600 15.3396 -24.763 18.8416 -24.7629 -10.7995 -23.8347 18.8416 -23.8348 -40.8119 GPRESSAVG: 4816600 15.0013 -26.9711 18.999 -25.1104 -11.045 -24.0017 20.5376 -23.4483 -40.3328 TIMING: 4816600 CPU: 14488.1, 0.00305219/step Wall: 14488.1, 0.00305219/step, 0.155492 hours remaining, 207.789062 MB of memory in use. ENERGY: 4816600 737.1762 2128.0691 1930.8266 112.1693 -206429.6536 18074.4088 0.0000 0.0000 34316.7805 -149130.2230 299.6970 -183447.0036 -149033.1191 298.8662 178.2164 209.1401 557426.9090 -12.0906 -12.1255 PRESSURE: 4816800 -68.6484 -71.0115 81.5395 -71.0119 -18.96 53.1837 81.541 53.1842 24.4915 GPRESSURE: 4816800 -94.8674 37.1492 101.162 -156.61 47.6999 74.2846 123.406 54.7679 76.7507 PRESSAVG: 4816800 -27.3299 16.4249 31.8968 16.425 37.9278 -18.6985 31.8968 -18.6986 11.2565 GPRESSAVG: 4816800 -27.4121 19.2702 31.9865 15.8629 38.0148 -18.538 29.8357 -20.175 11.4509 TIMING: 4816800 CPU: 14488.7, 0.00303849/step Wall: 14488.7, 0.00303849/step, 0.154625 hours remaining, 207.789062 MB of memory in use. ENERGY: 4816800 737.4680 2156.7181 1968.2281 116.2906 -206584.7205 17919.9918 0.0000 0.0000 34465.3246 -149220.6994 300.9943 -183686.0239 -149126.0093 300.1016 -21.0390 9.8611 557303.6461 7.2848 7.3512 PRESSURE: 4817000 -33.8025 26.2516 -135.057 26.2526 -229.911 -69.2753 -135.057 -69.2762 -56.465 GPRESSURE: 4817000 -1.37998 -10.6165 -163.953 0.953594 -240.521 -105.173 -120.938 -30.2806 9.03438 PRESSAVG: 4817000 -3.04432 -14.942 8.65329 -14.942 -1.13306 -28.4112 8.65326 -28.4113 20.9033 GPRESSAVG: 4817000 -3.64278 -14.2834 8.35866 -14.8684 -1.36971 -30.7221 9.31178 -22.6972 21.74 TIMING: 4817000 CPU: 14489.3, 0.0030459/step Wall: 14489.3, 0.0030459/step, 0.154833 hours remaining, 207.789062 MB of memory in use. ENERGY: 4817000 782.8790 2099.0845 1988.5292 114.1023 -206308.1593 17786.0452 0.0000 0.0000 34262.2071 -149275.3120 299.2204 -183537.5191 -149188.7934 300.0065 -106.7260 -77.6222 556824.9545 5.5753 5.5758 PRESSURE: 4817200 -110.281 -85.9608 18.3512 -85.9618 -163.382 -35.884 18.3524 -35.8841 58.2832 GPRESSURE: 4817200 -57.5393 -125.963 94.7211 -79.4218 -149.484 -52.1821 5.09962 16.8789 96.8277 PRESSAVG: 4817200 -24.9339 42.2914 -45.5393 42.2914 -4.88447 -56.3699 -45.5392 -56.3699 48.6451 GPRESSAVG: 4817200 -24.9965 41.1343 -46.3122 42.4864 -3.89193 -55.4534 -44.6205 -59.1131 47.7494 TIMING: 4817200 CPU: 14489.9, 0.00309312/step Wall: 14489.9, 0.00309312/step, 0.157062 hours remaining, 207.789062 MB of memory in use. ENERGY: 4817200 755.9233 2091.6567 1930.8406 111.8629 -206148.7565 17759.3161 0.0000 0.0000 34170.4120 -149328.7449 298.4187 -183499.1569 -149229.2575 299.1079 -71.7934 -36.7317 558575.6797 6.2756 6.2870 PRESSURE: 4817400 42.9447 57.7916 6.8406 57.7909 99.663 -130.95 6.84014 -130.95 -110.933 GPRESSURE: 4817400 80.1816 51.9934 -34.1676 76.4237 124.303 -63.6806 69.8202 -91.5693 -72.1813 PRESSAVG: 4817400 -30.672 9.9625 40.3164 9.96242 32.0543 30.5027 40.3165 30.5026 10.7498 GPRESSAVG: 4817400 -29.9728 9.55795 38.7236 9.20942 30.7518 30.7074 39.8299 28.9172 11.3309 TIMING: 4817400 CPU: 14490.6, 0.00309363/step Wall: 14490.6, 0.00309363/step, 0.156916 hours remaining, 207.789062 MB of memory in use. ENERGY: 4817400 749.9644 2056.3553 1951.1036 118.4013 -206256.4690 17841.7737 0.0000 0.0000 34119.8664 -149419.0041 297.9773 -183538.8705 -149327.2461 298.7126 10.5582 44.1012 556844.1006 4.0440 4.0366 PRESSURE: 4817600 -207.287 26.4616 -144.026 26.4631 -151.336 -106.065 -144.026 -106.066 -251.23 GPRESSURE: 4817600 -190.925 11.1663 -83.4185 40.5814 -103.172 -54.4723 -153.08 -122.746 -218.451 PRESSAVG: 4817600 23.8548 69.2307 -14.057 69.2308 -30.7954 -23.3758 -14.057 -23.376 39.8477 GPRESSAVG: 4817600 25.3171 71.5333 -15.0223 68.485 -30.2098 -23.9712 -14.1666 -21.5841 37.5379 TIMING: 4817600 CPU: 14491.2, 0.00308195/step Wall: 14491.2, 0.00308195/step, 0.156152 hours remaining, 207.789062 MB of memory in use. ENERGY: 4817600 726.7543 2116.1776 1923.9109 110.6472 -205857.6636 17346.4019 0.0000 0.0000 34125.2049 -149508.5668 298.0239 -183633.7717 -149415.1988 298.4566 -203.2845 -170.8495 557962.0191 10.9690 10.8817 PRESSURE: 4817800 -43.7177 -126.561 -161.876 -126.56 8.34615 62.684 -161.876 62.685 -90.9808 GPRESSURE: 4817800 -16.165 3.01957 -174.981 -197.78 76.2923 51.2843 -50.0577 34.3426 -68.745 PRESSAVG: 4817800 -44.9003 26.7146 -80.27 26.7146 -3.40352 -22.7719 -80.27 -22.7719 -35.4323 GPRESSAVG: 4817800 -46.8303 25.4117 -78.5534 27.2957 -2.89368 -22.202 -81.1435 -22.4643 -34.274 TIMING: 4817800 CPU: 14491.8, 0.00306779/step Wall: 14491.8, 0.00306779/step, 0.155264 hours remaining, 207.789062 MB of memory in use. ENERGY: 4817800 713.5117 2049.3143 1927.9408 106.8741 -206433.2502 17737.6072 0.0000 0.0000 34320.8634 -149577.1386 299.7326 -183898.0019 -149474.4723 298.5656 -42.1175 -2.8726 557597.6390 -27.9120 -27.9993 PRESSURE: 4818000 -107.908 -136.383 -149.951 -136.383 -114.586 -67.3199 -149.951 -67.3197 18.9237 GPRESSURE: 4818000 -77.4259 -154.206 -108.495 -124.119 -138.971 -29.3004 -165.861 -66.7915 103.707 PRESSAVG: 4818000 -14.996 -68.7648 -30.1154 -68.7649 -19.2356 71.6011 -30.1155 71.6011 1.41991 GPRESSAVG: 4818000 -14.4137 -67.484 -28.3815 -69.3032 -19.0132 71.886 -29.5248 71.317 0.884716 TIMING: 4818000 CPU: 14492.4, 0.00311881/step Wall: 14492.4, 0.00311881/step, 0.157673 hours remaining, 207.789062 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: 4818000 773.2274 2077.9734 1913.4652 122.1219 -206648.4823 17725.2272 0.0000 0.0000 34340.0630 -149696.4042 299.9003 -184036.4672 -149603.2023 298.0201 -67.8566 -37.5634 555879.0534 -10.9372 -10.8474 PRESSURE: 4818200 70.4342 33.7262 192.727 33.7255 -14.8577 -41.6571 192.726 -41.6568 -44.6493 GPRESSURE: 4818200 81.7348 79.5885 118.918 48.1255 92.601 51.6099 197.047 -32.8578 -64.1562 PRESSAVG: 4818200 20.7996 -16.6172 6.11618 -16.6172 49.7981 15.178 6.11624 15.178 -74.3025 GPRESSAVG: 4818200 20.8423 -14.4706 3.25303 -16.6107 49.7761 17.2022 8.34071 14.9998 -74.8112 TIMING: 4818200 CPU: 14493, 0.00306567/step Wall: 14493, 0.00306567/step, 0.154816 hours remaining, 207.789062 MB of memory in use. ENERGY: 4818200 775.5725 2083.4537 1940.0025 109.4232 -206861.7277 17983.5918 0.0000 0.0000 34351.4721 -149618.2118 299.9999 -183969.6839 -149515.0700 298.3278 3.6424 36.7265 558049.8896 -1.2350 -1.3976 PRESSURE: 4818400 57.8807 225.846 117.266 225.846 -87.452 78.2506 117.264 78.2501 -79.8684 GPRESSURE: 4818400 56.7283 316.613 6.07919 172.051 -56.4665 125.39 210.201 140.071 -15.3051 PRESSAVG: 4818400 41.3481 25.178 12.7944 25.178 3.68465 23.6664 12.7943 23.6663 -14.0836 GPRESSAVG: 4818400 41.2497 23.2763 12.691 25.201 3.34318 22.7485 9.96783 23.1151 -13.3197 TIMING: 4818400 CPU: 14493.6, 0.00306474/step Wall: 14493.6, 0.00306474/step, 0.154599 hours remaining, 207.789062 MB of memory in use. ENERGY: 4818400 759.4027 2158.4860 1953.7791 107.3542 -206499.8093 17965.6042 0.0000 0.0000 34218.4184 -149336.7646 298.8380 -183555.1831 -149236.7364 298.6934 -36.4799 -5.0144 557719.5728 10.3164 10.4244 PRESSURE: 4818600 -221.575 -135.258 120.926 -135.258 -188.792 -84.7779 120.925 -84.7772 20.1167 GPRESSURE: 4818600 -189.79 -99.4736 85.9241 -102.776 -135.492 -83.5141 84.1674 23.1067 32.1679 PRESSAVG: 4818600 -11.9105 36.1999 -41.6407 36.2 -17.8046 -43.8309 -41.6408 -43.831 -21.4748 GPRESSAVG: 4818600 -12.0054 36.0873 -40.2618 35.935 -17.5934 -44.6919 -41.9026 -42.554 -21.9007 TIMING: 4818600 CPU: 14494.3, 0.00305074/step Wall: 14494.3, 0.00305074/step, 0.153724 hours remaining, 207.789062 MB of memory in use. ENERGY: 4818600 759.1188 2093.2024 1928.8465 111.9228 -205867.2743 17489.8072 0.0000 0.0000 34155.1217 -149329.2550 298.2852 -183484.3767 -149236.4873 298.8479 -130.0835 -97.7044 556986.9546 -17.0633 -17.1665 PRESSURE: 4818800 176.431 -31.712 -193.234 -31.7112 -127.293 141.605 -193.235 141.604 323.104 GPRESSURE: 4818800 201.893 -67.3372 -203.33 -31.8009 -94.8466 78.4782 -109.553 100.849 350.278 PRESSAVG: 4818800 -33.7065 -32.1862 -2.65363 -32.1862 -8.09792 5.66769 -2.65365 5.66772 42.2124 GPRESSAVG: 4818800 -34.1826 -32.8083 -3.54056 -30.298 -8.89687 5.87135 -1.17474 4.86444 43.0924 TIMING: 4818800 CPU: 14494.9, 0.00308232/step Wall: 14494.9, 0.00308232/step, 0.155143 hours remaining, 207.789062 MB of memory in use. ENERGY: 4818800 753.9336 2114.2093 1932.8594 115.0256 -206375.5790 17949.5595 0.0000 0.0000 34080.2652 -149429.7265 297.6314 -183509.9917 -149333.1395 298.2977 124.0808 152.4414 556028.2114 0.1360 0.0043 PRESSURE: 4819000 -192.508 -106.957 122.803 -106.958 186.418 -111.964 122.804 -111.964 13.6232 GPRESSURE: 4819000 -113.663 -57.3317 138.7 -186.787 176.737 9.06447 105.056 -152.17 31.2433 PRESSAVG: 4819000 -48.3612 -43.6148 -26.6334 -43.6147 33.3239 -19.2071 -26.6334 -19.2071 43.1309 GPRESSAVG: 4819000 -47.258 -43.5694 -25.7877 -43.8396 33.0526 -18.3314 -28.2121 -20.327 42.0337 TIMING: 4819000 CPU: 14495.5, 0.00306541/step Wall: 14495.5, 0.00306541/step, 0.154122 hours remaining, 207.789062 MB of memory in use. ENERGY: 4819000 720.8713 2110.3859 1955.9974 114.1887 -206078.9817 17683.7257 0.0000 0.0000 34389.1220 -149104.6906 300.3288 -183493.8126 -149008.2571 299.0564 2.5111 31.4393 558226.9349 9.3646 9.2761 PRESSURE: 4819200 202.813 -17.2803 173.11 -17.2784 10.4327 -7.98495 173.109 -7.98506 -84.7901 GPRESSURE: 4819200 203.993 23.5249 195.371 -46.9924 81.5186 27.3047 124.486 19.7886 -48.3057 PRESSAVG: 4819200 38.4591 10.6883 -26.2672 10.6883 -28.5466 18.0973 -26.2671 18.0973 -13.2928 GPRESSAVG: 4819200 36.7523 11.0735 -24.3483 8.98141 -27.5255 19.3162 -27.4668 17.6823 -12.4529 TIMING: 4819200 CPU: 14496.1, 0.00305856/step Wall: 14496.1, 0.00305856/step, 0.153608 hours remaining, 207.789062 MB of memory in use. ENERGY: 4819200 754.3544 2091.6371 1945.0528 114.8407 -206294.9178 17939.6003 0.0000 0.0000 34472.3915 -148977.0410 301.0560 -183449.4325 -148880.8576 299.6540 42.8184 79.0688 557815.9516 -1.1268 -1.0754 PRESSURE: 4819400 -210.099 58.2319 -233.851 58.2326 -220.631 123.307 -233.85 123.306 -172.592 GPRESSURE: 4819400 -190.091 150.209 -206.4 88.4559 -161.662 77.2123 -188.986 235.753 -145.648 PRESSAVG: 4819400 -37.4467 -44.0114 9.97731 -44.0113 -52.9732 5.43545 9.97738 5.43538 53.3107 GPRESSAVG: 4819400 -37.3527 -42.9014 8.3493 -43.7229 -52.0503 3.2349 13.4439 6.15805 52.5559 TIMING: 4819400 CPU: 14496.7, 0.0030568/step Wall: 14496.7, 0.0030568/step, 0.153349 hours remaining, 207.789062 MB of memory in use. ENERGY: 4819400 762.8949 2032.8873 1954.3085 99.5763 -205703.5853 17346.2827 0.0000 0.0000 34332.5304 -149175.1053 299.8345 -183507.6356 -149068.7410 299.6960 -201.1074 -165.8003 558325.2161 -12.3697 -12.2824 PRESSURE: 4819600 163.345 138.32 61.2456 138.32 63.6078 13.1523 61.2439 13.1523 -97.9311 GPRESSURE: 4819600 195.219 129.92 28.413 76.2986 69.8805 2.12567 43.1496 -102.512 -56.241 PRESSAVG: 4819600 -45.97 30.3187 -3.59203 30.3187 -22.4274 -12.6798 -3.59205 -12.6798 32.2948 GPRESSAVG: 4819600 -44.3105 30.5201 -2.99301 29.4436 -23.8284 -12.8738 -5.25984 -10.6617 32.2442 TIMING: 4819600 CPU: 14497.3, 0.00303987/step Wall: 14497.3, 0.00303987/step, 0.152331 hours remaining, 207.789062 MB of memory in use. ENERGY: 4819600 768.3180 2096.1073 1935.7045 98.3974 -206330.1453 18040.2754 0.0000 0.0000 34150.4913 -149240.8513 298.2447 -183391.3427 -149146.6449 299.7823 43.0073 69.6194 558392.3486 -12.0342 -11.9649 PRESSURE: 4819800 -5.80523 53.4991 -52.1514 53.5003 19.9037 121.938 -52.1521 121.938 -208.029 GPRESSURE: 4819800 53.118 90.2911 -31.5603 59.8017 78.5429 161.11 4.09531 98.13 -231.384 PRESSAVG: 4819800 -69.0235 -42.9551 -5.10102 -42.955 -6.334 1.75683 -5.10116 1.75691 34.04 GPRESSAVG: 4819800 -69.1808 -44.1052 -5.83033 -39.7638 -6.30843 3.99514 -2.27672 -0.379852 34.3768 TIMING: 4819800 CPU: 14497.9, 0.00302691/step Wall: 14497.9, 0.00302691/step, 0.151514 hours remaining, 207.789062 MB of memory in use. ENERGY: 4819800 741.8327 2133.3792 1935.5063 108.6900 -206472.6109 17975.5146 0.0000 0.0000 34498.4731 -149079.2150 301.2837 -183577.6881 -148988.9865 299.7912 -64.6436 -33.2411 557681.9711 -13.7725 -13.7041 PRESSURE: 4820000 -96.3956 209.337 -26.1557 209.338 -95.3072 12.0354 -26.1554 12.0367 -125.492 GPRESSURE: 4820000 -34.7319 220.366 -63.2404 189.619 -103.205 30.0187 -30.4335 -3.72983 -85.9253 PRESSAVG: 4820000 -36.8994 6.4169 4.52158 6.41689 55.2556 -4.33541 4.52162 -4.33535 -17.9498 GPRESSAVG: 4820000 -37.4513 6.76808 6.08697 3.76233 55.8264 -6.10715 2.03149 -4.98643 -18.0117 TIMING: 4820000 CPU: 14498.5, 0.00302924/step Wall: 14498.5, 0.00302924/step, 0.151462 hours remaining, 207.789062 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: 4820000 797.2228 2126.0644 1942.9045 113.8761 -205838.0028 17660.5349 0.0000 0.0000 34170.4318 -149026.9683 298.4189 -183197.4001 -148928.5814 299.6562 -105.7317 -74.6208 557761.4974 0.1355 0.1211 PRESSURE: 4820200 45.287 108.419 54.561 108.419 -79.3956 -22.7716 54.561 -22.7725 -26.2653 GPRESSURE: 4820200 95.5491 34.318 101.716 126.332 -80.473 19.8223 3.10929 -67.7285 27.4444 PRESSAVG: 4820200 -48.8223 -21.2727 -27.7481 -21.2727 7.23935 32.2218 -27.7481 32.2217 37.5275 GPRESSAVG: 4820200 -48.667 -21.1919 -27.4326 -19.9531 7.36763 30.3972 -29.6586 35.9043 37.9185 TIMING: 4820200 CPU: 14499.1, 0.00304891/step Wall: 14499.1, 0.00304891/step, 0.152276 hours remaining, 207.789062 MB of memory in use. ENERGY: 4820200 762.7963 2122.1706 1952.6316 124.1557 -206377.9088 17898.9678 0.0000 0.0000 34520.7349 -148996.4519 301.4782 -183517.1868 -148893.2556 299.5361 -20.1246 14.1735 558165.3791 -1.3518 -1.1269 LDB: ============= START OF LOAD BALANCING ============== 14502.6 LDB: ============== END OF LOAD BALANCING =============== 14502.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14502.6 LDB: ============= START OF LOAD BALANCING ============== 14502.9 LDB: Largest compute 4820 load 0.026998 is 22.9% of average load 0.118108 LDB: Average compute 0.001730 is 1.5% of average load 0.118108 LDB: TIME 14502.9 LOAD: AVG 0.118108 MAX 0.21881 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.559 MB LDB: TIME 14502.9 LOAD: AVG 0.118108 MAX 0.21881 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.762 MB LDB: TIME 14502.9 LOAD: AVG 0.118108 MAX 0.21881 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.762 MB LDB: ============== END OF LOAD BALANCING =============== 14502.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14502.9 PRESSURE: 4820400 -306.356 5.59697 -125.633 5.59577 74.451 -106.454 -125.633 -106.454 -113.852 GPRESSURE: 4820400 -251.865 8.61863 -137.683 -15.1006 120.666 -118.231 -122.377 -61.093 -118.025 PRESSAVG: 4820400 -35.0651 -33.3751 19.066 -33.3752 54.9749 4.9762 19.0661 4.97619 -29.0564 GPRESSAVG: 4820400 -34.3377 -33.1328 17.6616 -35.1736 54.6887 6.40129 21.7597 4.71258 -30.0438 TIMING: 4820400 CPU: 14499.8, 0.00311373/step Wall: 14499.8, 0.00311373/step, 0.15534 hours remaining, 207.843750 MB of memory in use. ENERGY: 4820400 756.7902 2125.6778 1942.5610 116.5211 -205510.2851 17402.8977 0.0000 0.0000 34110.9812 -149054.8562 297.8997 -183165.8373 -148961.2164 298.7885 -115.2521 -83.0745 556893.8792 -3.0488 -3.2310 PRESSURE: 4820600 -16.3769 -91.6267 61.5135 -91.625 -173.019 -55.3091 61.5119 -55.3087 -232.067 GPRESSURE: 4820600 -0.559499 -41.0886 62.4889 -98.5705 -109.33 -5.56457 4.57524 -142.594 -221.777 PRESSAVG: 4820600 20.5541 3.66516 -9.62041 3.66522 25.0096 2.58681 -9.62038 2.58667 -43.3914 GPRESSAVG: 4820600 19.7626 3.95574 -9.19953 3.7183 25.5855 3.03989 -11.1409 0.791753 -43.0167 TIMING: 4820600 CPU: 14500.4, 0.00303893/step Wall: 14500.4, 0.00303893/step, 0.15144 hours remaining, 208.101562 MB of memory in use. ENERGY: 4820600 798.8911 2098.3357 1944.9732 117.8284 -206290.8718 17868.1206 0.0000 0.0000 34395.5456 -149067.1772 300.3849 -183462.7228 -148971.2069 300.0002 -140.4877 -110.5555 557346.7107 0.7241 0.7771 PRESSURE: 4820800 -57.8508 -73.5988 29.994 -73.5986 -112.526 -138.78 29.9955 -138.781 -231.077 GPRESSURE: 4820800 -38.1408 -58.4231 48.4814 -54.8347 -91.7374 -77.3051 40.564 -93.6784 -181.651 PRESSAVG: 4820800 -1.57557 -31.0261 13.5164 -31.026 -17.7849 -18.2269 13.5164 -18.2268 24.5919 GPRESSAVG: 4820800 -1.56537 -33.1399 12.5442 -29.5472 -18.4326 -17.5873 16.5605 -19.0965 25.0576 TIMING: 4820800 CPU: 14501, 0.00303432/step Wall: 14501, 0.00303431/step, 0.151041 hours remaining, 208.101562 MB of memory in use. ENERGY: 4820800 731.7669 2159.5413 1945.0116 143.4974 -205737.3288 17395.5474 0.0000 0.0000 34342.2472 -149019.7171 299.9194 -183361.9643 -148926.5614 300.2323 -133.8179 -103.8430 556913.0403 1.7438 1.6865 PRESSURE: 4821000 59.8895 -31.7782 113.008 -31.7778 99.6645 8.3817 113.006 8.38058 104.603 GPRESSURE: 4821000 38.3362 -73.7491 89.037 2.62654 148.551 4.06389 35.6793 23.5501 171.334 PRESSAVG: 4821000 38.4976 24.756 23.6146 24.756 19.0515 -11.3875 23.6146 -11.3875 -28.6398 GPRESSAVG: 4821000 38.6175 26.9317 24.9834 24.2746 19.7885 -9.92025 19.9478 -11.245 -29.8878 TIMING: 4821000 CPU: 14501.6, 0.00303066/step Wall: 14501.6, 0.00303066/step, 0.150691 hours remaining, 208.101562 MB of memory in use. ENERGY: 4821000 748.6753 2147.1714 1919.6534 116.0416 -206406.8397 17983.1611 0.0000 0.0000 34385.8034 -149106.3335 300.2998 -183492.1369 -149001.5388 300.0489 88.0525 119.4071 556853.4109 9.6364 9.5061 PRESSURE: 4821200 -205.584 -3.43709 -109.366 -3.43626 -161.138 -17.2814 -109.366 -17.2812 -154.411 GPRESSURE: 4821200 -118.634 -24.3623 -129.751 -48.0086 -109.135 -50.2752 -104.238 -69.5117 -194.429 PRESSAVG: 4821200 5.50561 -4.27992 -13.536 -4.27996 -13.1319 -27.2272 -13.536 -27.2272 12.3086 GPRESSAVG: 4821200 5.65672 -4.50286 -13.6431 -5.97865 -13.5688 -29.6489 -10.0084 -25.7717 12.4442 TIMING: 4821200 CPU: 14502.2, 0.00302009/step Wall: 14502.2, 0.00302009/step, 0.149998 hours remaining, 208.101562 MB of memory in use. ENERGY: 4821200 765.9414 2045.9309 1959.6099 119.7549 -206084.8255 17546.7476 0.0000 0.0000 34466.9602 -149179.8806 301.0085 -183646.8407 -149074.9003 299.5932 -173.7111 -140.7327 556930.6154 1.5608 1.5107 PRESSURE: 4821400 127.806 -98.3864 79.9426 -98.3858 -145.353 -12.34 79.9432 -12.341 -238.559 GPRESSURE: 4821400 195.843 -19.8467 41.5426 -119.43 -88.2775 -49.0681 133.582 18.5151 -271.032 PRESSAVG: 4821400 -14.6061 20.0749 20.4591 20.0748 0.55755 -24.9051 20.4592 -24.9051 3.50576 GPRESSAVG: 4821400 -14.9444 19.2549 19.6267 21.2247 0.222883 -24.0254 18.5817 -25.4425 3.72746 TIMING: 4821400 CPU: 14502.8, 0.00303352/step Wall: 14502.8, 0.00303352/step, 0.150496 hours remaining, 208.101562 MB of memory in use. ENERGY: 4821400 778.8388 2083.9129 1947.1844 106.4417 -205929.0294 17729.5577 0.0000 0.0000 34027.5525 -149255.5414 297.1711 -183283.0939 -149160.9525 299.5198 -85.3686 -54.4888 558274.7490 -3.5142 -3.6647 PRESSURE: 4821600 -27.7513 81.0434 79.5822 81.0429 -97.591 191.683 79.5836 191.682 -338.588 GPRESSURE: 4821600 -59.0007 42.4713 38.0984 93.3744 -46.5709 217.117 37.1018 124.781 -279.074 PRESSAVG: 4821600 43.0074 45.1246 46.6512 45.1247 37.0466 56.1782 46.6512 56.1783 -54.8647 GPRESSAVG: 4821600 42.2756 46.0407 45.6343 46.1374 38.7333 55.2032 44.8791 55.9171 -55.9078 TIMING: 4821600 CPU: 14503.4, 0.00304282/step Wall: 14503.4, 0.00304282/step, 0.150789 hours remaining, 208.101562 MB of memory in use. ENERGY: 4821600 784.8276 2081.9480 1958.8179 126.0980 -206385.1731 17771.0441 0.0000 0.0000 34486.4988 -149175.9387 301.1792 -183662.4375 -149073.0248 299.0951 -154.6433 -128.2151 557676.2115 8.3964 8.3670 PRESSURE: 4821800 60.6882 121.41 -163.71 121.41 -271.789 31.1549 -163.71 31.1558 52.1919 GPRESSURE: 4821800 86.5936 100.685 -140.123 166.895 -245.384 43.5342 -185.963 10.5093 102.992 PRESSAVG: 4821800 7.53193 7.71891 -29.0675 7.71886 -16.663 -37.9005 -29.0676 -37.9005 25.5804 GPRESSAVG: 4821800 7.82835 6.98898 -26.9999 7.63403 -17.361 -38.748 -26.1942 -37.7351 25.855 TIMING: 4821800 CPU: 14504, 0.00305109/step Wall: 14504, 0.00305109/step, 0.151029 hours remaining, 208.101562 MB of memory in use. ENERGY: 4821800 755.3376 2077.3951 1951.6681 114.6836 -206179.5559 17766.3946 0.0000 0.0000 34329.9412 -149184.1356 299.8119 -183514.0768 -149094.2923 299.9343 -52.9696 -18.5996 555641.2225 5.4831 5.4408 PRESSURE: 4822000 146.359 82.2496 18.871 82.2498 -17.6192 -83.1183 18.8701 -83.1183 8.18176 GPRESSURE: 4822000 119.12 90.2548 -57.8114 36.7048 75.1617 -146.649 -47.6198 14.9566 33.0672 PRESSAVG: 4822000 15.3668 -11.7291 10.631 -11.729 -20.2089 -22.9683 10.631 -22.9685 29.5183 GPRESSAVG: 4822000 15.5159 -11.7077 7.54015 -10.0123 -19.9309 -22.4584 13.5319 -20.333 30.0635 TIMING: 4822000 CPU: 14504.6, 0.00305179/step Wall: 14504.6, 0.00305179/step, 0.150894 hours remaining, 208.101562 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: 4822000 749.0677 2090.1620 1967.5947 115.5536 -206150.7021 17824.2484 0.0000 0.0000 34299.1719 -149104.9037 299.5432 -183404.0756 -149016.0975 299.3074 45.6405 75.7829 555975.9753 8.2254 8.5495 PRESSURE: 4822200 40.614 -22.0636 -51.4638 -22.0632 -203.962 186.653 -51.4642 186.653 -33.5075 GPRESSURE: 4822200 63.2497 14.2373 20.0547 -66.3738 -159.962 205.852 -46.1719 182.661 -4.42914 PRESSAVG: 4822200 -10.851 21.0287 -4.49849 21.0286 17.0109 53.312 -4.49849 53.312 -6.11911 GPRESSAVG: 4822200 -12.151 20.7832 -2.96593 18.7385 17.5283 53.6959 -5.79773 52.0204 -5.3576 TIMING: 4822200 CPU: 14505.2, 0.00305161/step Wall: 14505.2, 0.00305161/step, 0.150716 hours remaining, 208.101562 MB of memory in use. ENERGY: 4822200 752.3790 2073.5014 1937.5484 115.4310 -206197.9871 17724.8296 0.0000 0.0000 34506.3103 -149087.9874 301.3522 -183594.2977 -148985.3701 300.2219 -65.6186 -33.7139 557155.9539 0.0136 0.0065 PRESSURE: 4822400 199.249 -5.94981 50.8528 -5.94742 112.183 -71.8983 50.8524 -71.8973 159.441 GPRESSURE: 4822400 218.222 -50.9839 84.5759 24.8715 181.629 -97.1867 47.2621 -18.3349 162.108 PRESSAVG: 4822400 15.9168 30.6127 -20.3379 30.6128 -27.9089 10.9275 -20.3379 10.9276 -10.7314 GPRESSAVG: 4822400 17.3583 31.1517 -20.6347 30.6934 -28.7056 10.1475 -21.9383 12.1909 -11.9584 TIMING: 4822400 CPU: 14505.8, 0.00302414/step Wall: 14505.8, 0.00302414/step, 0.149191 hours remaining, 208.101562 MB of memory in use. ENERGY: 4822400 717.6281 2081.8432 1938.0987 97.7380 -206138.0774 18033.0949 0.0000 0.0000 34289.9507 -148979.7238 299.4627 -183269.6745 -148880.6472 299.2333 156.9580 187.3195 558281.5488 -7.5745 -7.7686 PRESSURE: 4822600 -253.438 58.152 107.507 58.1516 -17.0661 -93.711 107.507 -93.7119 -288.126 GPRESSURE: 4822600 -179.365 58.2704 108.417 67.1482 -48.2141 -97.0143 -0.00253973 -145.355 -219.472 PRESSAVG: 4822600 68.3504 -3.97663 -22.5868 -3.97664 -9.56859 -20.0416 -22.5869 -20.0417 -51.2553 GPRESSAVG: 4822600 68.2336 -1.66413 -21.0925 -3.5712 -9.53422 -19.0005 -23.0482 -21.1389 -50.7136 TIMING: 4822600 CPU: 14506.4, 0.00302668/step Wall: 14506.4, 0.00302668/step, 0.149148 hours remaining, 208.101562 MB of memory in use. ENERGY: 4822600 771.7183 2103.3592 1940.0347 104.6415 -205404.0615 17451.3987 0.0000 0.0000 34094.5270 -148938.3821 297.7560 -183032.9091 -148841.8949 299.5064 -186.2099 -149.0172 558259.5346 2.5088 2.6619 PRESSURE: 4822800 -24.2842 164.076 35.7379 164.076 -179.408 -59.9119 35.7383 -59.9131 -279.358 GPRESSURE: 4822800 -42.0857 163.192 131.925 73.1683 -158.217 -78.6349 -36.3576 26.4945 -186.053 PRESSAVG: 4822800 81.7767 22.1741 53.7619 22.1741 8.45005 -48.4077 53.762 -48.4077 -80.758 GPRESSAVG: 4822800 81.6483 18.7529 55.0306 21.9072 9.06483 -48.3917 53.6427 -49.1497 -80.9525 TIMING: 4822800 CPU: 14507, 0.00302446/step Wall: 14507, 0.00302446/step, 0.148871 hours remaining, 208.101562 MB of memory in use. ENERGY: 4822800 774.4117 2104.1346 1929.5269 108.6899 -205832.9765 17670.0736 0.0000 0.0000 34332.6138 -148913.5261 299.8353 -183246.1399 -148813.6999 299.6796 -161.0168 -128.7852 558544.0989 3.1562 3.2535 PRESSURE: 4823000 75.0233 -5.85448 43.0157 -5.85524 11.1377 -17.9745 43.0154 -17.9748 -313.157 GPRESSURE: 4823000 103.263 45.556 63.561 -9.60969 17.2069 49.8037 11.1106 12.9556 -253.039 PRESSAVG: 4823000 13.1475 1.35912 21.1847 1.35909 101.168 12.878 21.1848 12.8781 -70.5416 GPRESSAVG: 4823000 14.0473 2.88173 21.5219 1.67215 100.291 12.9126 19.6107 14.3378 -71.0102 TIMING: 4823000 CPU: 14507.6, 0.00300932/step Wall: 14507.6, 0.00300932/step, 0.147958 hours remaining, 208.101562 MB of memory in use. ENERGY: 4823000 765.7921 2088.1207 1921.1428 127.0493 -205815.6825 17634.2200 0.0000 0.0000 34416.3786 -148862.9791 300.5668 -183279.3577 -148771.1524 299.4581 -75.6653 -44.1899 555652.4232 14.5912 14.4427 PRESSURE: 4823200 -2.63653 51.2526 -12.7747 51.2515 -124.923 62.086 -12.7759 62.0852 -131.412 GPRESSURE: 4823200 38.7811 45.395 -23.8395 104.913 -104.376 14.3733 -14.9304 89.4774 -100.029 PRESSAVG: 4823200 49.4751 9.23308 -7.55184 9.23317 54.8765 6.32345 -7.5518 6.32337 -75.6633 GPRESSAVG: 4823200 48.1421 9.27232 -10.8169 7.93578 54.8862 6.45527 -3.76955 6.14217 -74.6717 TIMING: 4823200 CPU: 14508.2, 0.00301812/step Wall: 14508.2, 0.00301812/step, 0.148223 hours remaining, 208.101562 MB of memory in use. ENERGY: 4823200 752.4246 2099.4765 1967.9165 116.8987 -205639.8257 17625.9133 0.0000 0.0000 34134.2792 -148942.9168 298.1032 -183077.1960 -148848.4679 299.3866 -86.3241 -55.2078 557631.7222 9.5628 9.4522 PRESSURE: 4823400 -88.2742 182.802 -80.4308 182.802 -13.5286 23.515 -80.4304 23.5139 -36.6028 GPRESSURE: 4823400 -78.8348 144.131 -66.9711 170.54 37.2058 96.3026 -175.573 11.3361 -2.88545 PRESSAVG: 4823400 -72.9408 -27.9002 36.0995 -27.9002 14.3189 34.7655 36.0994 34.7655 31.6039 GPRESSAVG: 4823400 -72.1522 -26.1491 38.1553 -26.6216 14.8011 36.2421 34.15 34.6587 30.2753 TIMING: 4823400 CPU: 14508.9, 0.00303524/step Wall: 14508.9, 0.00303524/step, 0.148895 hours remaining, 208.101562 MB of memory in use. ENERGY: 4823400 765.0346 2048.4326 1930.7672 114.8098 -205988.3153 17932.1861 0.0000 0.0000 34225.3480 -148971.7371 298.8985 -183197.0851 -148876.1399 299.1143 -46.1352 -14.8382 557988.4071 -9.0060 -9.0253 PRESSURE: 4823600 -161.59 116.888 20.2342 116.889 118.241 36.2207 20.2343 36.2187 -32.5437 GPRESSURE: 4823600 -93.7421 96.1644 -6.33751 201.168 139.226 -16.4468 19.2952 159.053 -24.0533 PRESSAVG: 4823600 8.94992 44.3109 -10.0965 44.311 4.65812 69.0861 -10.0965 69.0861 23.2797 GPRESSAVG: 4823600 7.68349 42.6542 -10.2127 42.3052 5.19548 67.2353 -9.47327 67.5509 24.2267 TIMING: 4823600 CPU: 14509.5, 0.00301139/step Wall: 14509.5, 0.00301139/step, 0.147558 hours remaining, 208.101562 MB of memory in use. ENERGY: 4823600 719.8636 2037.8272 1951.1031 118.6355 -206039.8756 17895.5597 0.0000 0.0000 34312.0346 -149004.8519 299.6555 -183316.8865 -148914.0589 299.3227 -25.2975 7.1436 558454.0815 12.2959 12.3686 PRESSURE: 4823800 -247.991 -95.2011 -1.64122 -95.2024 -55.5893 77.9086 -1.64183 77.9068 221.952 GPRESSURE: 4823800 -207.337 -106.425 43.9371 -138.649 7.21618 2.11407 -60.8227 103.113 219.429 PRESSAVG: 4823800 4.67197 -21.8442 27.1723 -21.8443 -96.8639 -34.7487 27.1724 -34.7487 53.1104 GPRESSAVG: 4823800 5.68031 -22.1625 27.4092 -19.9915 -96.7195 -34.2133 27.683 -34.7044 51.7156 TIMING: 4823800 CPU: 14510.1, 0.00300665/step Wall: 14510.1, 0.00300665/step, 0.147159 hours remaining, 208.101562 MB of memory in use. ENERGY: 4823800 718.7198 2079.1371 1949.6171 118.7962 -206044.1429 17800.6153 0.0000 0.0000 34241.4511 -149135.8064 299.0391 -183377.2574 -149034.2613 299.7045 -27.2093 6.4362 558808.7091 -13.0272 -13.1079 PRESSURE: 4824000 193.784 -170.181 58.8515 -170.18 -35.9326 -103.279 58.8513 -103.279 -209.233 GPRESSURE: 4824000 215.211 -288.979 -7.14168 -72.4408 16.2265 -119.716 80.6944 -129.538 -188.816 PRESSAVG: 4824000 -26.9172 -28.2677 7.99028 -28.2677 -20.5098 12.5133 7.99037 12.5133 18.1525 GPRESSAVG: 4824000 -27.659 -28.7061 6.61553 -26.587 -21.8761 13.4215 5.87831 15.0196 20.0913 TIMING: 4824000 CPU: 14510.7, 0.00302687/step Wall: 14510.7, 0.00302687/step, 0.14798 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: 4824000 756.0491 2134.8639 1909.8665 116.7354 -206048.6671 17680.4964 0.0000 0.0000 34289.5589 -149161.0969 299.4592 -183450.6558 -149063.0769 299.7243 -17.1272 14.2072 559449.1101 -9.7582 -9.8146 PRESSURE: 4824200 -89.8961 122.508 44.5647 122.508 -104.417 -42.1597 44.5639 -42.1597 -34.5016 GPRESSURE: 4824200 -50.0095 115.059 -41.0326 68.3254 -49.281 -48.3473 106.416 -1.81875 -23.5742 PRESSAVG: 4824200 -8.7511 25.6961 -44.6436 25.6961 23.2544 -2.20378 -44.6436 -2.20382 -10.3145 GPRESSAVG: 4824200 -8.72432 25.2635 -45.227 23.8421 23.1688 -2.98717 -42.3821 -3.95397 -10.2795 TIMING: 4824200 CPU: 14511.3, 0.00302373/step Wall: 14511.3, 0.00302373/step, 0.147659 hours remaining, 208.203125 MB of memory in use. ENERGY: 4824200 730.9675 2067.6919 1937.2246 122.8332 -206065.2328 17658.5981 0.0000 0.0000 34489.3235 -149058.5940 301.2038 -183547.9175 -148953.6650 299.9736 -76.2717 -40.9549 559223.6583 1.3963 1.3883 LDB: ============= START OF LOAD BALANCING ============== 14514.7 LDB: ============== END OF LOAD BALANCING =============== 14514.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14514.7 LDB: ============= START OF LOAD BALANCING ============== 14515 LDB: Largest compute 4820 load 0.025525 is 21.6% of average load 0.118215 LDB: Average compute 0.001724 is 1.5% of average load 0.118215 LDB: TIME 14515 LOAD: AVG 0.118215 MAX 0.216875 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.605 MB LDB: TIME 14515 LOAD: AVG 0.118215 MAX 0.216875 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.609 MB LDB: TIME 14515 LOAD: AVG 0.118215 MAX 0.216875 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14515 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14515 PRESSURE: 4824400 245.013 101.157 -20.9817 101.157 73.5066 100.335 -20.9819 100.338 297.692 GPRESSURE: 4824400 291.542 14.9335 -150.521 121.974 95.3563 94.8196 6.62264 50.0925 335.587 PRESSAVG: 4824400 1.36649 -8.69081 -15.2914 -8.6908 -3.27906 5.47897 -15.2914 5.47894 29.9767 GPRESSAVG: 4824400 1.4932 -8.90222 -14.4433 -8.01084 -3.47208 7.55202 -16.3765 4.69532 29.6251 TIMING: 4824400 CPU: 14511.9, 0.00307014/step Wall: 14511.9, 0.00307014/step, 0.149755 hours remaining, 208.359375 MB of memory in use. ENERGY: 4824400 750.8842 2080.9224 1938.9639 104.5210 -206676.8703 18237.4348 0.0000 0.0000 34366.9042 -149197.2398 300.1347 -183564.1440 -149107.4526 299.7013 205.4038 240.8284 557360.2789 9.3547 9.2154 PRESSURE: 4824600 21.9533 210.007 -40.3266 210.008 52.9077 101.392 -40.3259 101.392 -161.966 GPRESSURE: 4824600 57.2538 125.735 28.6663 245.493 96.1553 145.692 -65.9025 61.4534 -160.162 PRESSAVG: 4824600 25.9778 57.3065 12.4283 57.3064 11.9712 7.96477 12.4283 7.96478 -3.99267 GPRESSAVG: 4824600 26.4457 55.4626 11.2046 57.4717 11.9389 5.92946 13.9019 9.95833 -4.34812 TIMING: 4824600 CPU: 14512.5, 0.00301413/step Wall: 14512.5, 0.00301413/step, 0.146855 hours remaining, 208.359375 MB of memory in use. ENERGY: 4824600 743.9348 2087.9795 1941.2600 106.5186 -205993.5022 17666.9408 0.0000 0.0000 34222.6256 -149224.2429 298.8747 -183446.8684 -149131.8057 299.2849 -29.0349 -2.2510 557127.0899 11.3188 11.3455 PRESSURE: 4824800 53.1653 -10.716 -22.6621 -10.7156 170.229 2.42407 -22.663 2.42359 199.64 GPRESSURE: 4824800 115.139 31.6919 -0.961463 -136.964 173.8 -1.81657 -24.4027 -34.3361 227.748 PRESSAVG: 4824800 57.6586 -4.17217 -23.6735 -4.17207 -4.3559 50.2242 -23.6737 50.2244 -15.8642 GPRESSAVG: 4824800 57.0584 -0.684922 -22.6523 -6.28037 -3.17461 53.0054 -24.8287 47.3035 -15.9869 TIMING: 4824800 CPU: 14513.1, 0.00304389/step Wall: 14513.1, 0.00304389/step, 0.148136 hours remaining, 208.359375 MB of memory in use. ENERGY: 4824800 714.1844 2116.0300 1954.9395 100.6031 -206145.6829 17867.5699 0.0000 0.0000 34320.3110 -149072.0450 299.7278 -183392.3560 -148977.9146 300.0192 141.0114 172.2290 557902.4588 12.4795 12.6323 PRESSURE: 4825000 -185.081 152.429 79.6764 152.428 118.923 127.122 79.6762 127.121 -124.982 GPRESSURE: 4825000 -129.816 92.183 74.3541 110.834 134.14 76.081 60.3609 226.526 -100.107 PRESSAVG: 4825000 2.07854 23.8753 11.2998 23.8754 15.3391 14.9348 11.2999 14.9348 -64.3438 GPRESSAVG: 4825000 2.91936 22.1881 10.7918 24.0149 14.4957 13.6474 11.4322 18.217 -64.2078 TIMING: 4825000 CPU: 14513.7, 0.00304101/step Wall: 14513.7, 0.00304101/step, 0.147827 hours remaining, 208.359375 MB of memory in use. ENERGY: 4825000 763.2802 2093.3024 1944.1907 105.7494 -206173.9987 17895.7283 0.0000 0.0000 34156.5362 -149215.2114 298.2975 -183371.7476 -149117.4705 299.3251 -63.7134 -31.9276 558768.6249 -15.6421 -15.5976 PRESSURE: 4825200 249.961 -126.363 37.6132 -126.363 28.6259 23.495 37.613 23.4966 11.9218 GPRESSURE: 4825200 277.925 -37.2309 57.3504 -174.206 65.4163 56.8993 2.66333 20.303 58.7797 PRESSAVG: 4825200 66.0549 -25.2846 46.9962 -25.2845 62.5156 7.73129 46.9962 7.73129 -117.941 GPRESSAVG: 4825200 65.8178 -24.4855 46.1462 -24.8233 62.8125 7.10277 47.2171 8.66428 -117.977 TIMING: 4825200 CPU: 14514.3, 0.00301958/step Wall: 14514.3, 0.00301958/step, 0.146617 hours remaining, 208.359375 MB of memory in use. ENERGY: 4825200 772.5778 2088.1417 1903.4089 111.2041 -206494.0984 18134.4370 0.0000 0.0000 34130.5505 -149353.7785 298.0706 -183484.3290 -149265.4205 299.3010 96.8362 134.0403 557195.2815 3.5432 3.5511 PRESSURE: 4825400 86.8789 60.1066 -165.978 60.1068 -11.1757 -53.6845 -165.977 -53.6843 -24.6535 GPRESSURE: 4825400 67.183 115.41 -188.705 -1.81017 25.2236 -130.695 -116.157 47.023 50.0747 PRESSAVG: 4825400 7.62863 -22.1784 -21.1596 -22.1784 -39.6839 -9.61154 -21.1596 -9.61157 11.7267 GPRESSAVG: 4825400 8.02248 -22.3292 -20.4096 -19.5834 -40.3752 -9.66594 -22.0054 -12.5586 11.5974 TIMING: 4825400 CPU: 14514.9, 0.00303614/step Wall: 14514.9, 0.00303614/step, 0.147253 hours remaining, 208.359375 MB of memory in use. ENERGY: 4825400 766.7436 2068.2477 1944.7385 128.3746 -206535.8482 17952.2628 0.0000 0.0000 34187.7380 -149487.7430 298.5700 -183675.4811 -149391.8008 298.8541 17.0166 47.4938 558423.7203 -6.7762 -6.9184 PRESSURE: 4825600 135.953 -3.39771 -27.4475 -3.39853 -110.627 17.0114 -27.4458 17.0103 35.1523 GPRESSURE: 4825600 144.559 -35.8804 -17.1308 -7.66007 15.1752 -52.6471 -8.47528 17.8856 -6.98896 PRESSAVG: 4825600 -0.611088 17.8052 25.265 17.8053 34.9028 -5.18625 25.2651 -5.18616 -25.1959 GPRESSAVG: 4825600 -0.902236 16.0612 23.1645 18.0818 35.8372 -5.13276 26.896 -3.48439 -25.8932 TIMING: 4825600 CPU: 14515.5, 0.00305113/step Wall: 14515.5, 0.00305113/step, 0.14781 hours remaining, 208.359375 MB of memory in use. ENERGY: 4825600 768.3213 2081.4569 1951.6460 112.4813 -206501.9196 17990.5676 0.0000 0.0000 34302.3618 -149295.0846 299.5711 -183597.4464 -149201.8116 298.6950 20.1594 50.9151 557841.7257 3.0319 3.0139 PRESSURE: 4825800 -74.9111 168.015 43.8928 168.016 -19.2013 -209.82 43.8927 -209.82 -335.216 GPRESSURE: 4825800 -80.2857 199.605 11.1999 119.324 -9.13003 -223.696 47.7012 -240.364 -253.919 PRESSAVG: 4825800 -4.52265 7.45138 63.6912 7.4514 40.4272 -39.3282 63.6912 -39.3283 -81.8678 GPRESSAVG: 4825800 -4.25449 10.1594 63.7417 5.73453 39.2378 -37.4066 63.1787 -40.1214 -81.9312 TIMING: 4825800 CPU: 14516.1, 0.00302926/step Wall: 14516.1, 0.00302926/step, 0.146583 hours remaining, 208.359375 MB of memory in use. ENERGY: 4825800 735.0957 2064.7177 1938.5667 116.0231 -206285.3441 17721.1497 0.0000 0.0000 34298.6514 -149411.1399 299.5387 -183709.7913 -149307.0993 299.3223 -143.1095 -114.4448 558636.5467 -15.3211 -15.6493 PRESSURE: 4826000 59.2759 23.5025 -179.613 23.5031 -18.0849 -4.44922 -179.612 -4.45022 -144.11 GPRESSURE: 4826000 115.864 -6.54538 -56.8138 5.86571 -34.9604 55.6307 -214.473 -55.9802 -93.4529 PRESSAVG: 4826000 24.5423 72.0237 -22.3992 72.0237 -26.7253 32.4067 -22.3993 32.4066 -23.1332 GPRESSAVG: 4826000 23.7692 70.0057 -20.5675 73.1952 -26.799 29.4698 -21.689 33.6107 -22.4771 TIMING: 4826000 CPU: 14516.7, 0.00302702/step Wall: 14516.7, 0.00302702/step, 0.146306 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: 4826000 775.4284 2072.8212 1919.6308 122.2893 -206333.1314 17862.0392 0.0000 0.0000 34167.5823 -149413.3402 298.3940 -183580.9224 -149327.3275 298.7714 -34.3063 -4.1830 557391.0193 -8.4387 -8.5023 PRESSURE: 4826200 -106.485 78.2236 -157.969 78.2229 136.587 -10.3742 -157.968 -10.3759 -63.5118 GPRESSURE: 4826200 -52.9773 126.128 -184.834 3.18524 182.17 -30.3413 -240.654 37.9417 -63.0493 PRESSAVG: 4826200 3.02329 -24.8275 -27.3455 -24.8275 -36.1847 17.7055 -27.3456 17.7055 9.92931 GPRESSAVG: 4826200 4.10357 -22.7269 -28.2895 -26.5473 -36.127 18.5699 -29.262 16.7851 9.29451 TIMING: 4826200 CPU: 14517.3, 0.00306822/step Wall: 14517.3, 0.00306822/step, 0.148127 hours remaining, 208.359375 MB of memory in use. ENERGY: 4826200 742.2260 2048.2644 1948.6631 98.3095 -206062.7787 17679.9191 0.0000 0.0000 34304.8126 -149240.5840 299.5925 -183545.3965 -149143.0825 298.8846 -11.1365 22.0478 557378.2399 -7.7440 -7.5763 PRESSURE: 4826400 -137.206 157.832 134.304 157.831 87.744 44.4682 134.304 44.4666 219.186 GPRESSURE: 4826400 -101.785 170.162 217.171 125.091 139.747 79.9638 100.799 8.90804 220.789 PRESSAVG: 4826400 52.1415 -20.0198 2.52752 -20.0198 7.54619 -53.6696 2.52757 -53.6696 -29.5888 GPRESSAVG: 4826400 51.6514 -18.8002 4.5345 -18.2689 7.11178 -53.5436 3.22621 -53.1041 -29.1118 TIMING: 4826400 CPU: 14518, 0.00305539/step Wall: 14518, 0.00305539/step, 0.147337 hours remaining, 208.359375 MB of memory in use. ENERGY: 4826400 673.5197 2054.2463 1918.9121 117.7509 -206176.2667 17892.3117 0.0000 0.0000 34449.8626 -149069.6635 300.8592 -183519.5261 -148974.6332 300.0884 56.5746 86.2503 559329.3885 10.0330 9.8838 PRESSURE: 4826600 -31.0765 35.3312 -17.7047 35.3312 91.0781 -31.4033 -17.7044 -31.403 -96.2893 GPRESSURE: 4826600 14.3372 83.815 -50.3499 73.9983 162.274 -69.3458 -16.4382 -127.778 -101.449 PRESSAVG: 4826600 -23.8088 -35.5962 -50.2213 -35.5962 -7.52227 19.2737 -50.2214 19.2737 71.2763 GPRESSAVG: 4826600 -23.5627 -36.5686 -51.1191 -38.5396 -6.14831 18.9041 -49.9068 18.1984 69.3899 TIMING: 4826600 CPU: 14518.6, 0.003034/step Wall: 14518.6, 0.003034/step, 0.146138 hours remaining, 208.359375 MB of memory in use. ENERGY: 4826600 766.0214 2041.1498 1939.9436 115.1043 -206073.4100 17743.1255 0.0000 0.0000 34366.4153 -149101.6502 300.1305 -183468.0655 -149003.0471 299.3237 -12.0959 25.0543 557958.8032 13.3151 13.2263 PRESSURE: 4826800 -125.831 80.3341 201.635 80.3342 -124.967 -56.8122 201.635 -56.8119 7.7123 GPRESSURE: 4826800 -137.129 102.752 192.618 84.8282 -54.4115 -7.91059 185.977 -32.7948 37.3118 PRESSAVG: 4826800 11.1683 33.4117 70.3243 33.4117 -54.147 12.8015 70.3242 12.8015 6.74825 GPRESSAVG: 4826800 11.3328 30.8992 69.8888 36.7 -55.8239 13.2981 71.3059 11.8217 8.65678 TIMING: 4826800 CPU: 14519.2, 0.00304022/step Wall: 14519.2, 0.00304022/step, 0.146268 hours remaining, 208.359375 MB of memory in use. ENERGY: 4826800 748.2159 2054.9818 1961.2669 114.7764 -205690.4684 17630.6311 0.0000 0.0000 34084.2313 -149096.3650 297.6661 -183180.5963 -149002.8027 299.4527 -81.0284 -51.4096 558154.6990 -12.0768 -11.9448 PRESSURE: 4827000 116.584 24.5211 -2.77018 24.5211 -93.4604 -4.73599 -2.77065 -4.73579 -34.8725 GPRESSURE: 4827000 137.948 -7.48808 -5.10562 -5.1542 -95.9295 -95.7353 44.053 50.5603 39.7614 PRESSAVG: 4827000 20.9126 -35.3718 -4.01352 -35.3718 -63.019 -56.4063 -4.01354 -56.4063 45.559 GPRESSAVG: 4827000 20.4597 -35.4365 -3.42217 -35.4152 -61.3982 -57.5478 -4.90972 -56.4408 44.2019 TIMING: 4827000 CPU: 14519.8, 0.00303134/step Wall: 14519.8, 0.00303134/step, 0.145673 hours remaining, 208.359375 MB of memory in use. ENERGY: 4827000 757.1554 2066.3893 1958.9681 110.9622 -205792.4026 17739.6451 0.0000 0.0000 33906.4704 -149252.8120 296.1136 -183159.2824 -149153.1746 299.0910 -3.9163 27.2599 557571.5907 1.1509 1.0878 PRESSURE: 4827200 97.796 -271.72 -141.576 -271.719 65.3792 44.6133 -141.578 44.6146 161.579 GPRESSURE: 4827200 119.024 -308.946 -154.375 -219.513 108.198 27.8341 -122.755 116.99 198.486 PRESSAVG: 4827200 26.2075 -17.4184 8.32381 -17.4184 10.1211 44.7077 8.3237 44.7077 -45.0247 GPRESSAVG: 4827200 27.264 -15.484 8.60771 -16.8419 8.83403 45.3186 7.23154 46.6387 -44.6785 TIMING: 4827200 CPU: 14520.4, 0.00306757/step Wall: 14520.4, 0.00306757/step, 0.147243 hours remaining, 208.359375 MB of memory in use. ENERGY: 4827200 704.8323 2050.7367 1935.7453 112.2535 -206441.8623 18122.6289 0.0000 0.0000 34380.0290 -149135.6366 300.2493 -183515.6656 -149041.9620 299.1442 108.2513 141.9025 556805.8130 -2.8987 -2.8602 PRESSURE: 4827400 -53.5659 67.7778 -64.581 67.7765 -42.1924 91.0054 -64.5827 91.0065 -20.8854 GPRESSURE: 4827400 -25.389 156.495 -64.8164 59.1129 -22.5539 66.7789 -100.298 34.9168 29.2405 PRESSAVG: 4827400 -28.3983 -4.43991 -8.97804 -4.4399 6.09266 15.2992 -8.97806 15.2992 5.94852 GPRESSAVG: 4827400 -28.7339 -5.74155 -9.0721 -6.29903 5.76147 15.0324 -8.80074 15.4603 7.05237 TIMING: 4827400 CPU: 14521, 0.0031045/step Wall: 14521, 0.0031045/step, 0.148844 hours remaining, 208.359375 MB of memory in use. ENERGY: 4827400 715.5333 2086.2505 1955.3487 117.6602 -205762.0083 17640.8679 0.0000 0.0000 34141.2965 -149105.0511 298.1644 -183246.3476 -149007.1446 298.9747 -38.8812 -6.2342 557472.7162 -5.4524 -5.3067 PRESSURE: 4827600 -401.986 16.6963 8.45667 16.6967 -245.426 147.678 8.4553 147.678 -128.993 GPRESSURE: 4827600 -349.715 -4.3649 36.4389 23.3489 -210.72 122.61 -8.3471 67.9597 -114.331 PRESSAVG: 4827600 9.68517 1.25204 28.6507 1.25207 -52.3423 -21.0199 28.6507 -21.0199 -12.3568 GPRESSAVG: 4827600 10.6116 3.39536 27.3471 0.0662362 -52.3468 -20.1724 29.9102 -21.0166 -12.65 TIMING: 4827600 CPU: 14521.6, 0.00310655/step Wall: 14521.6, 0.00310655/step, 0.148769 hours remaining, 208.359375 MB of memory in use. ENERGY: 4827600 750.2050 2002.0565 1953.0883 120.3646 -205683.7103 17408.5108 0.0000 0.0000 34162.5425 -149286.9426 298.3500 -183449.4851 -149185.4586 299.3606 -258.8016 -224.9222 558273.2354 -18.3380 -18.1284 PRESSURE: 4827800 -288.61 44.8835 55.8016 44.8836 84.2311 -107.909 55.8025 -107.91 -90.1972 GPRESSURE: 4827800 -254.893 44.2744 96.5007 8.98294 117.225 -56.9483 55.467 -112.835 -62.9454 PRESSAVG: 4827800 -34.634 13.2716 37.2706 13.2715 -3.63264 -0.299057 37.2705 -0.299061 10.6755 GPRESSAVG: 4827800 -35.4167 11.1323 40.1368 14.385 -2.34476 -1.144 36.357 -0.228084 10.3384 TIMING: 4827800 CPU: 14522.2, 0.00305142/step Wall: 14522.2, 0.00305142/step, 0.14596 hours remaining, 208.359375 MB of memory in use. ENERGY: 4827800 741.8024 2060.2390 1919.1640 104.3704 -206185.2296 17729.6429 0.0000 0.0000 34296.2372 -149333.7738 299.5176 -183630.0110 -149233.4110 298.5534 -98.1920 -66.8710 558120.2559 -9.1970 -9.1410 PRESSURE: 4828000 -55.7654 105.762 107.557 105.763 161.536 -38.5528 107.558 -38.5533 289.601 GPRESSURE: 4828000 -77.1202 115.041 86.6972 170.539 209.827 -13.5679 62.3712 -101.521 366.043 PRESSAVG: 4828000 -62.1195 5.85814 8.26917 5.85809 9.83379 -57.1896 8.26922 -57.1896 58.9756 GPRESSAVG: 4828000 -61.8309 3.57436 5.93138 8.62684 9.31278 -56.896 9.69979 -56.0878 59.2438 TIMING: 4828000 CPU: 14522.9, 0.00303677/step Wall: 14522.9, 0.00303677/step, 0.14509 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: 4828000 742.2682 2089.3963 1941.4941 108.8191 -206322.7825 17888.6556 0.0000 0.0000 34110.8581 -149441.2910 297.8986 -183552.1491 -149346.0947 298.5499 131.7905 166.2500 555582.9141 2.2300 2.2419 PRESSURE: 4828200 -613.56 -42.7459 -66.9693 -42.7471 -35.8705 41.4771 -66.9687 41.4775 -99.1921 GPRESSURE: 4828200 -537.902 17.4704 -5.60478 -115.434 -18.0414 93.6383 -77.8255 53.0676 -81.8092 PRESSAVG: 4828200 -57.7161 -8.98917 -14.1077 -8.98926 18.2934 -43.203 -14.1077 -43.203 35.2456 GPRESSAVG: 4828200 -58.4885 -6.21973 -12.5265 -12.0366 18.8322 -42.7272 -16.7388 -45.4677 35.6725 TIMING: 4828200 CPU: 14523.5, 0.00302503/step Wall: 14523.5, 0.00302503/step, 0.144361 hours remaining, 208.359375 MB of memory in use. ENERGY: 4828200 785.7007 2083.1263 1920.9178 109.0069 -206050.6196 17541.5120 0.0000 0.0000 34169.4367 -149440.9192 298.4102 -183610.3559 -149349.1189 298.4626 -249.5407 -212.5841 557288.0309 -1.3924 -1.3279 LDB: ============= START OF LOAD BALANCING ============== 14526.9 LDB: ============== END OF LOAD BALANCING =============== 14526.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14526.9 LDB: ============= START OF LOAD BALANCING ============== 14527.2 LDB: Largest compute 4820 load 0.028014 is 23.7% of average load 0.118111 LDB: Average compute 0.001726 is 1.5% of average load 0.118111 LDB: TIME 14527.2 LOAD: AVG 0.118111 MAX 0.215109 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.82 MB LDB: TIME 14527.2 LOAD: AVG 0.118111 MAX 0.215109 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.82 MB LDB: TIME 14527.2 LOAD: AVG 0.118111 MAX 0.215109 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.82 MB LDB: ============== END OF LOAD BALANCING =============== 14527.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14527.2 PRESSURE: 4828400 -48.6746 -5.28342 100.847 -5.28376 -131.782 18.0939 100.847 18.0949 -69.394 GPRESSURE: 4828400 -29.2724 -12.5868 129.629 59.4115 -85.0747 16.0394 135.697 -11.9397 -35.8247 PRESSAVG: 4828400 -5.09713 -3.65298 -16.9871 -3.65304 -19.1493 1.74006 -16.9871 1.74 39.8205 GPRESSAVG: 4828400 -4.04387 -2.10857 -16.5662 -3.71746 -19.4313 -0.711923 -16.6147 2.83875 39.1222 TIMING: 4828400 CPU: 14524.1, 0.00311916/step Wall: 14524.1, 0.00311916/step, 0.14868 hours remaining, 209.003906 MB of memory in use. ENERGY: 4828400 745.9635 2143.5677 1945.6686 116.7222 -206216.9673 17699.6740 0.0000 0.0000 34164.3121 -149401.0592 298.3654 -183565.3713 -149304.6005 298.2726 -83.2834 -50.0572 557271.4605 5.1914 5.2157 PRESSURE: 4828600 -123.711 -23.3549 75.1914 -23.356 40.4589 -21.5194 75.1918 -21.52 51.5937 GPRESSURE: 4828600 -63.1167 -24.7407 -11.5127 -47.5897 55.3582 -80.558 65.9852 -15.2614 63.4668 PRESSAVG: 4828600 35.5674 1.32718 65.0718 1.32708 -45.1106 -2.21852 65.0718 -2.21851 12.0175 GPRESSAVG: 4828600 34.769 0.282328 63.872 1.84151 -45.2656 -2.1072 64.0343 -2.13679 12.7057 TIMING: 4828600 CPU: 14524.7, 0.00303772/step Wall: 14524.7, 0.00303772/step, 0.144629 hours remaining, 209.207031 MB of memory in use. ENERGY: 4828600 733.5629 2063.7857 1939.5911 111.5051 -206234.0285 17776.5381 0.0000 0.0000 34451.6948 -149157.3509 300.8752 -183609.0456 -149059.8528 299.3807 -10.5529 18.5694 557635.0975 0.8248 0.7364 PRESSURE: 4828800 -59.5869 19.0725 26.6013 19.0728 23.9645 242.131 26.6026 242.131 -220.492 GPRESSURE: 4828800 -8.13662 48.1038 2.73672 20.735 77.2564 203.618 127.654 320.895 -232.423 PRESSAVG: 4828800 29.8621 -17.9073 29.8521 -17.9074 3.6794 39.3508 29.852 39.3509 -34.4728 GPRESSAVG: 4828800 29.7881 -17.9538 30.5152 -19.4308 3.55636 40.3524 33.1129 36.8863 -34.351 TIMING: 4828800 CPU: 14525.3, 0.0030393/step Wall: 14525.3, 0.0030393/step, 0.144536 hours remaining, 209.207031 MB of memory in use. ENERGY: 4828800 765.8995 2035.0478 1910.6271 110.2468 -206197.6752 17830.1172 0.0000 0.0000 34269.0178 -149276.7189 299.2799 -183545.7367 -149174.7491 298.8395 -85.3716 -54.4344 557630.8124 -0.3104 -0.3355 PRESSURE: 4829000 49.3763 -45.2159 -57.8329 -45.2161 -189.36 157.805 -57.833 157.804 -94.3973 GPRESSURE: 4829000 69.0919 65.4564 -107.726 -108.66 -107.745 149.071 -22.2812 112.363 -99.2344 PRESSAVG: 4829000 -14.5934 -14.8326 -21.0532 -14.8327 24.3746 45.1013 -21.0532 45.1014 -5.6854 GPRESSAVG: 4829000 -14.4923 -12.1389 -21.9334 -13.3885 24.6623 45.0836 -22.1597 45.5289 -6.46084 TIMING: 4829000 CPU: 14525.9, 0.00300005/step Wall: 14525.9, 0.00300005/step, 0.142502 hours remaining, 209.207031 MB of memory in use. ENERGY: 4829000 704.8367 2126.2391 1912.4391 110.2326 -206220.3702 17684.7147 0.0000 0.0000 34380.3461 -149301.5620 300.2521 -183681.9081 -149201.6587 299.3239 -78.1270 -45.9626 557031.8745 1.3653 1.2364 PRESSURE: 4829200 -81.1582 22.2351 -92.8961 22.237 -50.5728 -19.0057 -92.8974 -19.0064 -99.4164 GPRESSURE: 4829200 15.494 -32.2795 11.1933 10.863 -8.86284 12.4477 -136.959 -71.5185 -144.548 PRESSAVG: 4829200 20.339 12.7261 -9.65852 12.7262 21.9506 -13.0375 -9.65848 -13.0375 -30.1314 GPRESSAVG: 4829200 21.3466 10.2936 -8.01908 12.2784 21.0501 -14.3218 -10.2585 -12.1407 -29.8857 TIMING: 4829200 CPU: 14526.5, 0.00299638/step Wall: 14526.5, 0.00299638/step, 0.142162 hours remaining, 209.207031 MB of memory in use. ENERGY: 4829200 732.8087 2065.1664 1930.0377 121.3368 -206254.7231 17891.4486 0.0000 0.0000 34110.6097 -149403.3152 297.8964 -183513.9249 -149299.5982 298.4941 -77.0492 -45.9724 558260.1465 4.0528 4.1703 PRESSURE: 4829400 -146.155 17.0279 -25.0931 17.0276 -227.282 -173.57 -25.0916 -173.571 -19.2421 GPRESSURE: 4829400 -158.284 33.3049 20.6652 -30.4302 -142.545 -171.576 -30.5023 -246.638 3.83306 PRESSAVG: 4829400 -45.7782 10.0991 -11.9928 10.0991 54.9175 -22.9225 -11.9928 -22.9225 5.67981 GPRESSAVG: 4829400 -47.1106 9.08376 -12.8619 12.3902 56.1315 -20.6902 -11.9978 -20.6754 5.85873 TIMING: 4829400 CPU: 14527.1, 0.00301498/step Wall: 14527.1, 0.00301498/step, 0.142877 hours remaining, 209.207031 MB of memory in use. ENERGY: 4829400 739.6948 2120.1140 1949.0247 115.2164 -205893.5279 17575.3423 0.0000 0.0000 34189.6383 -149204.4974 298.5866 -183394.1357 -149112.3157 298.8632 -130.8931 -98.9985 558861.9283 4.9397 4.9599 PRESSURE: 4829600 -433.905 -46.366 230.283 -46.3661 -626.553 78.5037 230.282 78.5024 -241.02 GPRESSURE: 4829600 -455.269 -52.6489 255.791 -41.7195 -533.537 69.0559 182.423 10.6733 -215.872 PRESSAVG: 4829600 -31.8313 49.4558 4.65133 49.4558 14.4445 21.4617 4.65139 21.4617 13.4325 GPRESSAVG: 4829600 -31.0981 49.9102 5.18415 47.1381 14.3314 21.0103 5.44807 18.9808 13.0364 TIMING: 4829600 CPU: 14527.7, 0.00299624/step Wall: 14527.7, 0.00299624/step, 0.141822 hours remaining, 209.207031 MB of memory in use. ENERGY: 4829600 779.1160 2064.6978 1923.0949 129.6303 -205701.3165 17358.9575 0.0000 0.0000 34301.6949 -149144.1251 299.5652 -183445.8200 -149038.5908 299.5447 -433.8258 -401.5592 560928.1211 -1.3181 -1.2434 PRESSURE: 4829800 -35.0048 -102.125 -24.2903 -102.126 213.377 49.2095 -24.2889 49.2106 82.626 GPRESSURE: 4829800 2.82068 -95.1958 -91.7355 -105.282 222.227 77.3275 34.6322 64.0682 125.822 PRESSAVG: 4829800 -17.2274 67.6915 26.8272 67.6915 -14.6321 60.1682 26.8271 60.1683 31.1094 GPRESSAVG: 4829800 -17.233 68.9092 26.2652 69.2648 -14.8514 59.4561 26.0062 61.6841 31.8533 TIMING: 4829800 CPU: 14528.3, 0.00299454/step Wall: 14528.3, 0.00299454/step, 0.141575 hours remaining, 209.207031 MB of memory in use. ENERGY: 4829800 750.7297 2073.5915 1921.1971 107.6316 -206339.5244 18040.4904 0.0000 0.0000 34368.5008 -149077.3833 300.1487 -183445.8840 -148974.3129 299.3892 86.9994 116.9567 557076.3869 -0.2501 -0.0770 PRESSURE: 4830000 200.965 -210.405 -8.56606 -210.403 7.68943 -78.0791 -8.5654 -78.0792 105.282 GPRESSURE: 4830000 208.226 -296.638 -40.2206 -138.573 53.3376 4.9788 43.5473 -192.842 153.347 PRESSAVG: 4830000 63.9376 -10.4792 -20.674 -10.4792 -19.9157 -47.3556 -20.674 -47.3557 6.15482 GPRESSAVG: 4830000 63.4868 -10.6292 -21.4846 -11.2687 -19.7113 -47.3586 -18.9528 -48.6217 6.67694 TIMING: 4830000 CPU: 14528.9, 0.00302254/step Wall: 14528.9, 0.00302254/step, 0.142731 hours remaining, 209.207031 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: 4830000 723.6401 2167.2418 1952.3817 107.2776 -206247.3165 17905.2475 0.0000 0.0000 34404.4510 -148987.0769 300.4626 -183391.5278 -148894.6163 299.5161 104.6456 138.3034 556833.1827 16.7256 16.8175 PRESSURE: 4830200 -60.6156 -15.9903 299.36 -15.9917 113.885 26.8264 299.359 26.8262 -21.5147 GPRESSURE: 4830200 -7.12406 41.2847 320.516 -60.1353 110.129 116.817 253.659 21.8011 16.574 PRESSAVG: 4830200 22.9686 37.0164 17.8968 37.0164 -39.9698 9.39876 17.8969 9.39881 -17.5048 GPRESSAVG: 4830200 24.1867 36.4795 17.6323 38.237 -41.4421 9.2127 16.8806 8.96191 -16.5892 TIMING: 4830200 CPU: 14529.5, 0.00302986/step Wall: 14529.5, 0.00302986/step, 0.142908 hours remaining, 209.207031 MB of memory in use. ENERGY: 4830200 721.6686 2146.6717 1920.9361 116.3849 -205804.9574 17654.5875 0.0000 0.0000 34065.1739 -149179.5347 297.4996 -183244.7086 -149082.4739 299.1515 10.5849 39.8596 558484.7035 -11.5020 -11.2815 PRESSURE: 4830400 -54.4492 60.9128 12.6245 60.9128 -73.735 45.7598 12.6253 45.7599 -44.3461 GPRESSURE: 4830400 -1.5536 128.802 -45.0667 -5.74542 -99.5908 -37.2196 65.0578 2.60742 12.3036 PRESSAVG: 4830400 24.9766 -29.3931 40.7723 -29.3931 -20.7933 -8.36808 40.7724 -8.36813 6.14792 GPRESSAVG: 4830400 24.7526 -27.9833 39.7843 -30.6255 -19.4019 -9.09731 40.4699 -8.35601 4.93978 TIMING: 4830400 CPU: 14530.1, 0.00303861/step Wall: 14530.1, 0.00303861/step, 0.143152 hours remaining, 209.207031 MB of memory in use. ENERGY: 4830400 787.5299 2081.5567 1937.0154 116.6948 -206098.5761 17803.4271 0.0000 0.0000 34245.2075 -149127.1447 299.0719 -183372.3522 -149035.3137 299.2094 -57.5101 -29.6136 558515.3961 3.4437 3.4301 PRESSURE: 4830600 -97.3313 31.3684 112.019 31.3687 -307.709 7.904 112.018 7.90426 -132.04 GPRESSURE: 4830600 -91.1442 7.09607 131.875 -35.0159 -235.174 29.2333 154.802 67.7111 -124.306 PRESSAVG: 4830600 23.1967 -18.6379 70.7282 -18.6379 -24.2512 -21.9274 70.7283 -21.9274 73.0793 GPRESSAVG: 4830600 23.1733 -21.47 71.6765 -17.1867 -24.5866 -20.0956 71.7594 -22.0279 72.7818 TIMING: 4830600 CPU: 14530.7, 0.00300862/step Wall: 14530.7, 0.00300862/step, 0.141572 hours remaining, 209.207031 MB of memory in use. ENERGY: 4830600 719.5291 2158.6562 1941.4881 115.6131 -205553.6069 17439.8881 0.0000 0.0000 34122.0738 -149056.3586 297.9966 -183178.4324 -148971.1198 299.6944 -179.0265 -150.2083 558110.9501 24.0082 23.7895 PRESSURE: 4830800 -17.1981 -82.4883 -12.7608 -82.4866 -331.379 70.6585 -12.7602 70.6586 158.012 GPRESSURE: 4830800 5.05377 38.9205 -62.9723 -146.783 -252.315 112.721 -122.016 51.9599 142.489 PRESSAVG: 4830800 48.0853 -25.7777 54.9615 -25.7776 -44.2349 22.8115 54.9616 22.8115 39.9191 GPRESSAVG: 4830800 47.5076 -23.33 55.7533 -26.5511 -44.5389 22.361 54.754 23.0255 40.3487 TIMING: 4830800 CPU: 14531.3, 0.00301356/step Wall: 14531.3, 0.00301356/step, 0.141637 hours remaining, 209.207031 MB of memory in use. ENERGY: 4830800 765.1004 2063.0455 1944.2874 123.4397 -205807.9732 17666.2571 0.0000 0.0000 34311.0396 -148934.8035 299.6468 -183245.8432 -148834.7259 300.1777 -63.5219 -34.9241 557082.4860 14.5899 14.4391 PRESSURE: 4831000 214.205 24.215 77.1604 24.2144 242.935 -27.8651 77.1607 -27.8651 -275.341 GPRESSURE: 4831000 236.07 55.8389 50.0939 -38.7754 231.726 -39.4789 104.276 13.2569 -210.814 PRESSAVG: 4831000 62.1353 -30.672 38.1966 -30.6721 -42.8555 -15.6976 38.1967 -15.6977 -16.1095 GPRESSAVG: 4831000 61.5527 -31.2398 37.47 -32.5039 -43.0622 -14.6296 39.0167 -13.6779 -15.9542 TIMING: 4831000 CPU: 14531.9, 0.00301598/step Wall: 14531.9, 0.00301598/step, 0.141584 hours remaining, 209.207031 MB of memory in use. ENERGY: 4831000 721.2609 2130.3884 1950.9264 111.5448 -205491.8387 17712.6058 0.0000 0.0000 34143.9144 -148721.1980 298.1873 -182865.1124 -148621.3141 301.0625 60.5998 85.6609 557072.7653 1.0568 0.8455 PRESSURE: 4831200 189.814 44.466 186.303 44.4663 -38.8293 -84.148 186.302 -84.1464 -174.168 GPRESSURE: 4831200 191.07 14.7072 172.004 47.0718 25.9469 -72.3828 234.872 -167.203 -149.655 PRESSAVG: 4831200 -51.6611 -38.3495 31.3867 -38.3496 101.928 -37.5398 31.3867 -37.5399 -7.71435 GPRESSAVG: 4831200 -51.5327 -37.2616 31.6653 -36.0839 101.738 -39.6512 31.236 -36.5179 -7.76263 TIMING: 4831200 CPU: 14532.5, 0.00303295/step Wall: 14532.5, 0.00303295/step, 0.142212 hours remaining, 209.207031 MB of memory in use. ENERGY: 4831200 770.3545 2154.2491 1959.0739 100.7281 -206019.4678 17741.2600 0.0000 0.0000 34408.7003 -148885.1019 300.4997 -183293.8022 -148792.0807 301.1864 -7.7279 22.4541 556929.4124 14.1843 14.1476 PRESSURE: 4831400 50.1512 10.445 38.0307 10.4443 73.913 33.8262 38.0315 33.8268 207.968 GPRESSURE: 4831400 33.6814 8.76503 -9.27608 53.1453 135.88 -114.578 92.6228 117.011 257.898 PRESSAVG: 4831400 13.0347 -14.3307 72.311 -14.3308 -29.7723 -34.795 72.311 -34.795 -6.53282 GPRESSAVG: 4831400 12.1868 -15.3227 70.6029 -15.4452 -29.0084 -33.8188 72.2347 -35.8668 -6.23723 TIMING: 4831400 CPU: 14533.1, 0.00302432/step Wall: 14533.1, 0.00302432/step, 0.141639 hours remaining, 209.207031 MB of memory in use. ENERGY: 4831400 710.0521 2101.8353 1946.6320 104.0590 -206317.7981 18091.8196 0.0000 0.0000 34327.1094 -149036.2907 299.7872 -183363.4001 -148936.2226 299.9635 110.6774 142.4866 557973.1798 -7.7568 -7.6863 PRESSURE: 4831600 -264.695 11.4914 178.189 11.4915 -217.789 -71.4187 178.19 -71.4203 -37.5194 GPRESSURE: 4831600 -226.611 -8.30884 170.393 33.1006 -186.826 -56.9983 183.352 -104.93 -7.63555 PRESSAVG: 4831600 28.2305 12.5157 1.99265 12.5158 -1.57146 -15.2452 1.99271 -15.2454 -10.9097 GPRESSAVG: 4831600 28.7617 12.0952 3.61216 12.6114 -2.32466 -15.8289 1.89532 -16.5276 -11.3876 TIMING: 4831600 CPU: 14533.7, 0.0030262/step Wall: 14533.7, 0.0030262/step, 0.141559 hours remaining, 209.207031 MB of memory in use. ENERGY: 4831600 720.5995 2095.1155 1919.6000 124.0681 -206064.3816 17798.6865 0.0000 0.0000 34343.0195 -149063.2925 299.9261 -183406.3119 -148961.0520 299.3853 -173.3347 -140.3574 558876.8915 5.2498 5.0165 PRESSURE: 4831800 39.7289 51.8162 19.1783 51.8161 3.80848 -94.4122 19.178 -94.4126 133.948 GPRESSURE: 4831800 102.1 -22.5093 14.0364 91.7774 65.6349 40.3886 67.6523 -140.384 109.168 PRESSAVG: 4831800 -79.992 -22.1568 24.773 -22.1568 8.19361 -33.8891 24.7732 -33.8892 61.2015 GPRESSAVG: 4831800 -80.0112 -22.1007 24.8756 -22.1184 7.4828 -31.7505 24.7755 -33.5401 62.0274 TIMING: 4831800 CPU: 14534.3, 0.00304051/step Wall: 14534.3, 0.00304051/step, 0.14206 hours remaining, 209.207031 MB of memory in use. ENERGY: 4831800 739.0294 2085.6588 1925.9418 109.6969 -205909.6242 17876.4883 0.0000 0.0000 34154.6291 -149018.1800 298.2809 -183172.8091 -148929.5575 299.8329 59.1619 92.3011 558712.0496 -3.5323 -3.5003 PRESSURE: 4832000 -80.6924 -110.246 72.3697 -110.244 200.307 -75.3897 72.3697 -75.3902 166.846 GPRESSURE: 4832000 -48.7535 -92.029 85.7883 -81.0912 259.653 -165.928 161.982 -4.38893 166.856 PRESSAVG: 4832000 -66.2547 -5.44597 -42.4002 -5.44594 40.3408 41.1099 -42.4003 41.1099 38.105 GPRESSAVG: 4832000 -67.2827 -3.1585 -40.3417 -5.59929 41.338 38.2412 -42.9641 41.9474 38.2096 TIMING: 4832000 CPU: 14535, 0.00304141/step Wall: 14535, 0.00304141/step, 0.141932 hours remaining, 209.207031 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: 4832000 737.7338 2018.2024 1961.8573 111.7404 -205874.6528 17891.3131 0.0000 0.0000 34276.2826 -148877.5232 299.3433 -183153.8058 -148780.7456 300.2113 95.4869 125.9185 558990.6329 4.0637 4.0883 PRESSURE: 4832200 32.3667 -132.99 112.298 -132.989 -359.539 9.80973 112.298 9.80951 -38.2572 GPRESSURE: 4832200 32.6669 -106.364 154.965 -62.6108 -294.975 57.5952 91.681 -10.3268 -0.696495 PRESSAVG: 4832200 -35.4154 -59.2209 8.39719 -59.2209 12.6911 13.6104 8.39722 13.6105 32.9643 GPRESSAVG: 4832200 -33.76 -60.4943 6.94221 -57.0081 11.9565 15.5973 8.92366 13.8701 32.6012 TIMING: 4832200 CPU: 14535.6, 0.00304534/step Wall: 14535.6, 0.00304534/step, 0.141947 hours remaining, 209.207031 MB of memory in use. ENERGY: 4832200 756.0454 2055.3886 1939.1855 116.7078 -205883.8734 17616.4044 0.0000 0.0000 34382.4608 -149017.6809 300.2706 -183400.1417 -148916.7727 299.7304 -121.8099 -87.6683 559970.6425 3.4133 3.5992 LDB: ============= START OF LOAD BALANCING ============== 14539 LDB: ============== END OF LOAD BALANCING =============== 14539 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14539 LDB: ============= START OF LOAD BALANCING ============== 14539.3 LDB: Largest compute 4820 load 0.029489 is 25.0% of average load 0.118152 LDB: Average compute 0.001730 is 1.5% of average load 0.118152 LDB: TIME 14539.3 LOAD: AVG 0.118152 MAX 0.215191 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.047 MB LDB: TIME 14539.3 LOAD: AVG 0.118152 MAX 0.215191 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.051 MB LDB: TIME 14539.3 LOAD: AVG 0.118152 MAX 0.215191 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.051 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14539.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 LDB: =============== DONE WITH MIGRATION ================ 14539.3 PRESSURE: 4832400 195.531 -42.2872 -37.0801 -42.287 -10.911 28.3874 -37.0789 28.3861 18.8889 GPRESSURE: 4832400 209.069 -46.7714 -138.416 -94.7001 75.0077 -1.03874 -3.45272 12.9891 16.4921 PRESSAVG: 4832400 -16.8974 -33.2435 34.8485 -33.2435 -27.1561 -17.3102 34.8485 -17.3102 16.4579 GPRESSAVG: 4832400 -17.9738 -32.0884 33.2172 -35.8782 -25.5549 -17.8454 34.4563 -18.1667 15.6812 TIMING: 4832400 CPU: 14536.2, 0.00309378/step Wall: 14536.2, 0.00309378/step, 0.144033 hours remaining, 207.277344 MB of memory in use. ENERGY: 4832400 733.6924 2076.5217 1949.4331 105.5724 -206011.9242 17875.8538 0.0000 0.0000 34308.4642 -148962.3867 299.6244 -183270.8509 -148870.8411 299.3935 67.8364 100.1896 558582.1609 -9.1986 -9.2825 Info: useSync: 0 useProxySync: 0 PRESSURE: 4832600 11.4111 109.638 -53.6985 109.636 -93.146 153.133 -53.6977 153.131 -128.869 GPRESSURE: 4832600 55.365 204.139 -35.9061 78.3477 -106.047 98.0272 29.3582 121.469 -60.3167 PRESSAVG: 4832600 22.5172 -46.3022 28.1509 -46.3022 -22.7766 -20.1879 28.1508 -20.1879 2.27772 GPRESSAVG: 4832600 23.1929 -48.2866 30.8427 -43.9144 -23.9268 -21.541 28.1076 -20.1343 3.22319 TIMING: 4832600 CPU: 14536.8, 0.00308196/step Wall: 14536.8, 0.00308196/step, 0.143311 hours remaining, 207.277344 MB of memory in use. ENERGY: 4832600 704.0573 2123.3676 1950.1968 112.0692 -205936.6768 17600.1656 0.0000 0.0000 34346.0344 -149100.7859 299.9525 -183446.8203 -149005.4188 299.2991 -70.2014 -36.9997 558290.4235 0.6728 0.8298 PRESSURE: 4832800 -308.298 -52.4095 73.7124 -52.4085 -287.474 112.358 73.7122 112.358 -319.075 GPRESSURE: 4832800 -326.529 -103.59 101.423 -13.848 -216.107 47.1863 16.5114 82.7751 -271.82 PRESSAVG: 4832800 -56.978 24.3172 -17.4914 24.3171 45.3905 -2.90086 -17.4914 -2.90084 15.548 GPRESSAVG: 4832800 -57.6631 23.974 -18.2551 23.7065 45.9896 -2.49637 -18.0846 -1.97604 15.4622 TIMING: 4832800 CPU: 14537.4, 0.00303969/step Wall: 14537.4, 0.00303969/step, 0.141177 hours remaining, 207.277344 MB of memory in use. ENERGY: 4832800 770.6869 2082.5269 1951.4367 106.1819 -205671.8029 17374.1330 0.0000 0.0000 34206.4744 -149180.3630 298.7336 -183386.8374 -149082.6294 298.2684 -304.9490 -271.4853 559792.0321 1.3202 1.2629 PRESSURE: 4833000 -230.233 26.1648 -56.7284 26.1653 -371.099 27.8037 -56.7296 27.803 -53.684 GPRESSURE: 4833000 -168.918 -5.37765 56.012 32.6879 -362.702 61.0197 -70.5346 13.602 -29.2779 PRESSAVG: 4833000 25.0424 20.3385 -37.9276 20.3386 -60.1757 48.122 -37.9278 48.1221 58.788 GPRESSAVG: 4833000 24.9752 22.4062 -39.4318 18.7427 -60.6058 48.4736 -36.0163 48.1942 59.7212 TIMING: 4833000 CPU: 14538, 0.00302624/step Wall: 14538, 0.00302624/step, 0.140384 hours remaining, 207.277344 MB of memory in use. ENERGY: 4833000 757.4542 2060.4412 1948.5591 110.9993 -205961.4002 17535.8423 0.0000 0.0000 34393.3215 -149154.7827 300.3654 -183548.1043 -149058.1045 298.8540 -218.3387 -186.9660 558314.7897 7.8849 8.0302 PRESSURE: 4833200 138.17 -95.6163 17.6836 -95.6171 -67.2857 51.9557 17.6843 51.9567 -139.525 GPRESSURE: 4833200 178.442 -24.0391 39.5102 -73.4955 -22.3062 1.57553 -39.7816 16.6792 -141.519 PRESSAVG: 4833200 11.1041 -5.92233 21.795 -5.92231 -31.3763 -0.32041 21.7949 -0.320444 8.36394 GPRESSAVG: 4833200 11.0864 -6.44008 22.3147 -5.81567 -30.9145 0.250903 20.329 -1.89701 7.951 TIMING: 4833200 CPU: 14538.6, 0.00300581/step Wall: 14538.6, 0.00300581/step, 0.139269 hours remaining, 207.277344 MB of memory in use. ENERGY: 4833200 732.6921 2050.5197 1965.2240 115.1960 -206147.5721 17888.1181 0.0000 0.0000 34258.1562 -149137.6659 299.1850 -183395.8221 -149036.8791 299.8418 -22.8803 4.8721 558227.7484 -3.9694 -3.9590 PRESSURE: 4833400 202.967 16.2582 -22.8753 16.2585 -222.622 -69.2468 -22.875 -69.2477 -191.229 GPRESSURE: 4833400 171.377 48.7172 -95.0426 -25.2473 -161.398 -67.8119 -59.608 -85.7231 -129.023 PRESSAVG: 4833400 26.2049 -22.7334 -102.953 -22.7334 -32.1883 -53.3054 -102.953 -53.3055 45.3475 GPRESSAVG: 4833400 25.718 -24.2216 -104.157 -21.9652 -32.3293 -52.6197 -104.304 -51.9895 45.6359 TIMING: 4833400 CPU: 14539.2, 0.00302604/step Wall: 14539.2, 0.00302604/step, 0.140038 hours remaining, 207.277344 MB of memory in use. ENERGY: 4833400 782.3429 2112.5104 1944.8015 117.8253 -205924.0539 17738.0815 0.0000 0.0000 34129.3688 -149099.1235 298.0603 -183228.4923 -148997.0385 299.0321 -70.2948 -39.6811 558492.3817 13.1214 13.0082 PRESSURE: 4833600 128.054 -104.851 -37.9032 -104.851 358.736 -86.6608 -37.9037 -86.6594 135.006 GPRESSURE: 4833600 173.54 -52.782 -50.9118 -22.386 397.118 -76.2165 -2.50295 -196.129 142.901 PRESSAVG: 4833600 -1.50139 -40.909 -33.7865 -40.909 26.3566 15.417 -33.7865 15.4171 -14.299 GPRESSAVG: 4833600 -0.524162 -41.6373 -31.316 -38.2033 26.8327 14.4144 -33.0053 14.8199 -15.2013 TIMING: 4833600 CPU: 14539.8, 0.0030347/step Wall: 14539.8, 0.0030347/step, 0.140271 hours remaining, 207.277344 MB of memory in use. ENERGY: 4833600 751.7654 2080.5701 1977.6720 118.8948 -206248.0728 18034.1776 0.0000 0.0000 34164.3377 -149120.6552 298.3657 -183284.9929 -149033.3059 298.6691 207.2652 237.8529 557339.9993 3.5188 3.7024 PRESSURE: 4833800 390.076 -119.915 -17.9419 -119.915 30.1942 -27.8115 -17.9433 -27.8104 -8.63349 GPRESSURE: 4833800 381.496 7.05844 -54.6901 -99.6213 76.5552 -8.09603 38.9842 -64.2304 30.4194 PRESSAVG: 4833800 13.3511 9.85259 -25.5335 9.85268 3.78097 -12.3617 -25.5335 -12.3618 -25.3824 GPRESSAVG: 4833800 12.764 10.7356 -27.5424 8.78379 3.18748 -13.3893 -24.3227 -12.0384 -24.8883 TIMING: 4833800 CPU: 14540.4, 0.00303651/step Wall: 14540.4, 0.00303651/step, 0.140186 hours remaining, 207.277344 MB of memory in use. ENERGY: 4833800 733.1854 2065.6372 1935.6051 120.4388 -206221.8526 17995.5774 0.0000 0.0000 34256.6867 -149114.7221 299.1722 -183371.4088 -149016.2392 299.0754 137.2124 162.8236 558736.7557 -2.7501 -2.9789 PRESSURE: 4834000 64.0819 -111.131 -164.543 -111.132 -107.93 52.192 -164.542 52.1918 -42.0643 GPRESSURE: 4834000 42.531 -13.5483 -96.3567 -58.6982 -42.022 37.4784 -124.55 57.488 1.21571 PRESSAVG: 4834000 95.9271 -25.4623 7.55341 -25.4623 -96.697 -18.5871 7.55341 -18.5871 -3.74848 GPRESSAVG: 4834000 96.3931 -25.2201 8.32284 -27.3277 -96.9924 -15.9057 6.53817 -19.45 -3.56029 TIMING: 4834000 CPU: 14541, 0.00301602/step Wall: 14541, 0.00301602/step, 0.139072 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: 4834000 765.2642 2076.2990 1937.8888 123.7889 -206338.9076 17835.8978 0.0000 0.0000 34424.4706 -149175.2983 300.6375 -183599.7689 -149068.7645 299.1801 -28.6374 0.5749 559212.9523 -1.5061 -1.3865 PRESSURE: 4834200 -317.591 127.804 -144.572 127.804 -173.633 -143.252 -144.571 -143.251 -333.608 GPRESSURE: 4834200 -270.261 120.034 -55.5144 159.705 -176.867 -101.676 -121.9 -84.212 -278.929 PRESSAVG: 4834200 -43.7158 3.05765 -0.269925 3.05772 38.2392 -9.17569 -0.269876 -9.17576 -34.7908 GPRESSAVG: 4834200 -42.9514 2.80655 1.03477 3.29949 36.9488 -10.6523 -0.968789 -7.58846 -33.5903 TIMING: 4834200 CPU: 14541.6, 0.00302844/step Wall: 14541.6, 0.00302844/step, 0.139477 hours remaining, 207.277344 MB of memory in use. ENERGY: 4834200 737.4282 2119.6427 1920.7913 112.1898 -205496.5536 17308.1715 0.0000 0.0000 34152.2369 -149146.0933 298.2600 -183298.3302 -149051.6126 299.3156 -274.9441 -242.0191 558765.0510 -13.4225 -13.1976 PRESSURE: 4834400 -77.5894 15.2777 -11.9251 15.2773 27.9696 -52.8672 -11.9254 -52.8668 94.1245 GPRESSURE: 4834400 -20.8814 -31.1825 21.1326 -16.9568 75.0741 -4.26845 -40.1134 16.8526 92.7168 PRESSAVG: 4834400 43.4851 10.3387 -19.4677 10.3387 38.5137 57.3825 -19.4678 57.3825 -42.2899 GPRESSAVG: 4834400 43.4294 10.7429 -21.713 9.55413 40.1907 56.3403 -18.3862 57.1873 -44.1859 TIMING: 4834400 CPU: 14542.2, 0.00301822/step Wall: 14542.2, 0.00301822/step, 0.138838 hours remaining, 207.277344 MB of memory in use. ENERGY: 4834400 744.1365 2056.8527 1934.7515 124.3511 -206060.1051 17774.3925 0.0000 0.0000 34451.5180 -148974.1029 300.8737 -183425.6209 -148878.0984 299.4133 14.8349 48.9698 556668.9442 13.2363 13.1447 PRESSURE: 4834600 177.404 36.2127 88.6344 36.2119 -172.356 118.661 88.6327 118.662 -171.905 GPRESSURE: 4834600 224.602 108.672 112.577 9.50155 -113.732 109.919 108.878 10.2152 -183.694 PRESSAVG: 4834600 -3.44008 20.5137 -53.63 20.5137 22.6096 52.2215 -53.63 52.2214 -5.97489 GPRESSAVG: 4834600 -2.32709 21.7023 -52.0471 21.8718 21.3437 52.9744 -55.1368 51.795 -5.9801 TIMING: 4834600 CPU: 14542.9, 0.00303924/step Wall: 14542.9, 0.00303924/step, 0.139636 hours remaining, 207.277344 MB of memory in use. ENERGY: 4834600 743.9831 2095.1704 1900.8634 108.4706 -205790.0169 17684.9957 0.0000 0.0000 34233.0320 -149023.5019 298.9656 -183256.5338 -148924.0133 300.3835 -55.6190 -24.2746 558895.0057 4.3982 4.3455 PRESSURE: 4834800 19.9742 -123.489 -106.329 -123.489 127.897 -213.313 -106.329 -213.312 260.768 GPRESSURE: 4834800 54.3093 -122.112 7.55877 -183.558 113.848 -240.596 -57.6573 -191.205 336.562 PRESSAVG: 4834800 1.91 14.8414 1.74657 14.8414 -21.6045 -7.92472 1.74661 -7.92483 18.9709 GPRESSAVG: 4834800 1.8888 13.2327 2.4585 14.9141 -21.5045 -7.88856 2.90319 -6.8147 18.9479 TIMING: 4834800 CPU: 14543.5, 0.00302234/step Wall: 14543.5, 0.00302234/step, 0.138692 hours remaining, 207.277344 MB of memory in use. ENERGY: 4834800 740.2293 2122.1913 1920.0315 121.9510 -206400.4798 18111.0799 0.0000 0.0000 34283.6957 -149101.3010 299.4080 -183384.9967 -149006.9587 299.8881 136.2129 168.2397 557878.4595 -0.2412 -0.2226 PRESSURE: 4835000 -106.782 -17.6993 -65.2498 -17.6994 42.7413 -27.1712 -65.249 -27.17 97.2861 GPRESSURE: 4835000 -131.071 -93.3104 13.5287 -30.8404 133.1 -74.9003 -96.6291 19.9453 125.032 PRESSAVG: 4835000 -27.1591 -61.2164 -43.8216 -61.2165 -11.2622 -0.339918 -43.8216 -0.339823 50.6413 GPRESSAVG: 4835000 -29.2989 -61.9786 -44.4651 -60.7362 -9.82799 -0.743676 -44.149 -0.570838 51.363 TIMING: 4835000 CPU: 14544.1, 0.00303024/step Wall: 14544.1, 0.00303025/step, 0.138886 hours remaining, 207.277344 MB of memory in use. ENERGY: 4835000 755.2763 2097.2684 1956.5248 116.2474 -206152.7700 17888.0839 0.0000 0.0000 34379.3353 -148960.0340 300.2433 -183339.3692 -148865.4330 299.7488 11.0817 42.3537 557855.2438 4.0733 4.0787 PRESSURE: 4835200 -18.2399 -49.1141 -69.3513 -49.1132 -55.9257 -10.9804 -69.3509 -10.9785 7.2043 GPRESSURE: 4835200 69.6972 -105.782 -34.3789 46.8754 -11.3516 -65.8933 -59.4151 58.0679 -17.855 PRESSAVG: 4835200 -31.1838 9.61425 -16.3308 9.6143 -34.6501 -12.3396 -16.3309 -12.3396 90.3632 GPRESSAVG: 4835200 -29.074 11.966 -16.7506 9.35988 -36.0755 -13.213 -17.0615 -12.8184 89.8401 TIMING: 4835200 CPU: 14544.7, 0.00303921/step Wall: 14544.7, 0.00303921/step, 0.139128 hours remaining, 207.277344 MB of memory in use. ENERGY: 4835200 743.1679 2087.6430 1944.4295 119.8646 -205837.4820 17651.1743 0.0000 0.0000 34263.1107 -149028.0919 299.2283 -183291.2026 -148932.2312 299.2124 -22.3204 13.4969 558483.8816 8.1765 8.2302 PRESSURE: 4835400 -81.2691 13.0727 -91.037 13.0732 -28.0987 -57.388 -91.0366 -57.3892 -176.309 GPRESSURE: 4835400 -22.4422 95.0537 -145.16 -37.4989 57.0189 -91.8782 -46.5552 -63.8734 -212.665 PRESSAVG: 4835400 61.9829 -21.9485 -23.0676 -21.9484 -38.4309 -36.0559 -23.0678 -36.0561 4.70794 GPRESSAVG: 4835400 61.5886 -22.3989 -24.901 -21.2194 -37.9097 -37.485 -19.4132 -36.7169 3.99037 TIMING: 4835400 CPU: 14545.3, 0.00302575/step Wall: 14545.3, 0.00302575/step, 0.138344 hours remaining, 207.277344 MB of memory in use. ENERGY: 4835400 751.2305 2126.7236 1936.2732 121.9438 -205646.5654 17510.9222 0.0000 0.0000 34120.1597 -149079.3124 297.9798 -183199.4721 -148984.7390 299.5599 -95.2255 -59.3627 556813.0849 9.4200 9.2231 PRESSURE: 4835600 191.842 44.2887 -7.74245 44.2897 -125.602 98.3123 -7.74275 98.312 212.471 GPRESSURE: 4835600 244.291 52.1503 -35.1454 36.7271 -51.6716 0.532751 20.4155 112.93 177.049 PRESSAVG: 4835600 21.5412 -14.4032 -11.578 -14.4033 -12.7355 -69.7675 -11.5781 -69.7674 12.4817 GPRESSAVG: 4835600 22.1887 -14.0467 -9.28222 -14.3208 -13.3128 -69.0233 -15.005 -69.3564 12.3731 TIMING: 4835600 CPU: 14545.9, 0.00300543/step Wall: 14545.9, 0.00300543/step, 0.137248 hours remaining, 207.277344 MB of memory in use. ENERGY: 4835600 803.4984 2074.6809 1943.5950 117.1157 -206152.9854 17861.3818 0.0000 0.0000 34081.2418 -149271.4719 297.6400 -183352.7137 -149176.9330 298.8064 92.9036 123.2229 555244.9678 7.0958 7.0830 PRESSURE: 4835800 124.759 -6.94503 -14.0755 -6.94533 269.601 13.9087 -14.075 13.9068 -265.401 GPRESSURE: 4835800 159.843 71.9707 -50.064 -22.6492 272.555 12.2915 17.0428 78.8953 -206.732 PRESSAVG: 4835800 11.6641 27.098 18.8467 27.098 -7.12691 -1.51133 18.8467 -1.51124 -34.4197 GPRESSAVG: 4835800 9.60224 25.702 16.9791 27.1935 -6.19354 0.115395 20.2585 -1.77244 -33.3403 TIMING: 4835800 CPU: 14546.5, 0.00303349/step Wall: 14546.5, 0.00303349/step, 0.138361 hours remaining, 207.277344 MB of memory in use. ENERGY: 4835800 730.1874 2125.9194 1931.7495 109.0350 -206307.9561 17966.4694 0.0000 0.0000 34208.5064 -149236.0890 298.7514 -183444.5954 -149144.3147 298.3868 42.9862 75.2220 557579.1047 -9.9608 -9.9772 PRESSURE: 4836000 217.038 4.91759 -96.7027 4.91713 -5.0085 37.0991 -96.7015 37.1005 112.066 GPRESSURE: 4836000 237.569 49.9742 -174.853 -19.1959 15.1814 25.0418 -134.235 -10.2899 161.182 PRESSAVG: 4836000 3.45591 -20.2117 20.7489 -20.2118 60.6666 25.4053 20.7491 25.4053 -45.0557 GPRESSAVG: 4836000 3.93681 -19.0166 22.9857 -21.7111 59.0776 23.6777 18.4052 25.5804 -43.9012 TIMING: 4836000 CPU: 14547.1, 0.00303219/step Wall: 14547.1, 0.00303219/step, 0.138133 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: 4836000 745.8045 2080.0438 1941.0246 116.0993 -205963.5599 17815.6404 0.0000 0.0000 34315.4694 -148949.4778 299.6855 -183264.9472 -148855.9008 298.8537 108.0317 137.9775 558022.7418 6.3556 6.3710 PRESSURE: 4836200 1.59999 23.487 105.109 23.4854 -60.6324 67.3117 105.108 67.3114 -420.099 GPRESSURE: 4836200 16.926 154.329 85.8236 -63.5655 -111.906 99.2861 46.7641 52.7497 -285.291 PRESSAVG: 4836200 17.3022 -3.74403 -35.5934 -3.74401 -4.233 5.67626 -35.5935 5.6764 -9.02431 GPRESSAVG: 4836200 17.1656 -4.18472 -36.3937 -1.78509 -4.09178 6.88422 -34.8643 3.03656 -9.58596 TIMING: 4836200 CPU: 14547.7, 0.00305855/step Wall: 14547.7, 0.00305855/step, 0.139164 hours remaining, 207.277344 MB of memory in use. ENERGY: 4836200 757.2654 2133.8609 1936.6235 118.9104 -205887.9066 17683.0816 0.0000 0.0000 34327.2251 -148930.9397 299.7882 -183258.1648 -148830.9789 299.7498 -159.7105 -126.7572 557567.5117 1.3483 1.1626 LDB: ============= START OF LOAD BALANCING ============== 14551.1 LDB: ============== END OF LOAD BALANCING =============== 14551.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14551.1 LDB: ============= START OF LOAD BALANCING ============== 14551.4 LDB: Largest compute 4820 load 0.025345 is 21.4% of average load 0.118174 LDB: Average compute 0.001724 is 1.5% of average load 0.118174 LDB: TIME 14551.4 LOAD: AVG 0.118174 MAX 0.213971 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.816 MB LDB: TIME 14551.4 LOAD: AVG 0.118174 MAX 0.213971 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.82 MB LDB: TIME 14551.4 LOAD: AVG 0.118174 MAX 0.213971 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.82 MB LDB: ============== END OF LOAD BALANCING =============== 14551.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14551.4 PRESSURE: 4836400 -260.102 18.9365 101.573 18.9363 13.2456 154.364 101.572 154.364 77.6076 GPRESSURE: 4836400 -201.905 -45.5515 20.114 57.231 57.7791 65.5515 62.857 231.344 75.5707 PRESSAVG: 4836400 45.3948 2.45554 -38.691 2.45562 -103.312 12.5806 -38.6911 12.5807 75.4102 GPRESSAVG: 4836400 44.8422 1.61868 -39.1089 1.31526 -102.223 11.568 -38.2668 14.5834 74.135 TIMING: 4836400 CPU: 14548.3, 0.00307915/step Wall: 14548.3, 0.00307915/step, 0.13993 hours remaining, 209.070312 MB of memory in use. ENERGY: 4836400 752.2233 2098.3060 1958.5796 121.1638 -205676.6887 17669.8768 0.0000 0.0000 34268.6192 -148807.9201 299.2764 -183076.5393 -148713.8772 300.4604 -56.4161 -22.8516 559029.1346 5.8311 5.5848 PRESSURE: 4836600 -74.1089 -7.77422 -55.0505 -7.77456 170.999 -81.4525 -55.0503 -81.4529 -14.8477 GPRESSURE: 4836600 -61.6906 11.4005 -15.1384 -41.631 183.429 -27.6894 -62.1431 -132.269 51.9759 PRESSAVG: 4836600 -41.8373 -20.6882 -9.46838 -20.6882 -50.1659 -18.3124 -9.46849 -18.3124 49.9712 GPRESSAVG: 4836600 -41.4014 -18.9835 -7.86312 -20.4455 -51.3521 -17.6948 -12.1335 -18.0696 50.8833 TIMING: 4836600 CPU: 14548.9, 0.00301097/step Wall: 14548.9, 0.00301097/step, 0.136665 hours remaining, 209.070312 MB of memory in use. ENERGY: 4836600 763.7491 2116.1493 1937.5746 115.7780 -205954.1684 17775.4831 0.0000 0.0000 34469.3874 -148776.0467 301.0297 -183245.4341 -148685.0459 300.1785 27.3476 57.9047 558637.7455 -14.0106 -13.9567 PRESSURE: 4836800 64.9007 61.6643 40.0163 61.6646 150.03 -77.6486 40.0159 -77.6479 7.46861 GPRESSURE: 4836800 112.87 -33.1679 54.5238 89.8473 211.165 -147.162 62.049 2.95514 13.3763 PRESSAVG: 4836800 8.33161 12.8376 54.2828 12.8377 -11.6053 -31.5368 54.2828 -31.5369 12.3836 GPRESSAVG: 4836800 8.05563 12.1748 54.9652 10.669 -10.7289 -29.7194 55.0136 -30.5939 11.9439 TIMING: 4836800 CPU: 14549.5, 0.0030646/step Wall: 14549.5, 0.0030646/step, 0.138929 hours remaining, 209.070312 MB of memory in use. ENERGY: 4836800 745.0130 2086.5746 1937.3381 111.7305 -206270.5240 17982.6966 0.0000 0.0000 34384.7699 -149022.4013 300.2907 -183407.1713 -148929.2460 299.2669 74.1331 112.4705 558791.1151 3.0366 3.0902 PRESSURE: 4837000 -222.994 -104.246 -113.78 -104.246 -56.9924 -135.557 -113.781 -135.557 45.5214 GPRESSURE: 4837000 -173.065 -197.035 10.7721 -56.0387 -31.0425 -80.8142 -128.885 -169.274 60.1108 PRESSAVG: 4837000 -22.7197 90.5954 10.1358 90.5954 -0.882348 -33.9071 10.1358 -33.9072 -11.0544 GPRESSAVG: 4837000 -23.3964 88.1598 7.84632 92.384 -1.41948 -35.0905 11.9356 -36.1891 -9.94717 TIMING: 4837000 CPU: 14550.1, 0.00305372/step Wall: 14550.1, 0.00305372/step, 0.138266 hours remaining, 209.070312 MB of memory in use. ENERGY: 4837000 756.0446 2097.4129 1946.5169 109.6541 -206263.3310 17912.0338 0.0000 0.0000 34197.4274 -149244.2413 298.6546 -183441.6687 -149152.0669 298.8201 -78.1550 -47.9989 559913.2886 -11.5522 -11.5877 PRESSURE: 4837200 32.9389 52.8599 43.739 52.8594 -210.175 66.3976 43.739 66.3977 -268.625 GPRESSURE: 4837200 72.716 101.152 -55.6996 22.6198 -224.524 89.2894 102.737 30.1206 -215.554 PRESSAVG: 4837200 56.5873 0.275281 -16.0731 0.27535 -103.908 -23.2532 -16.0729 -23.2533 57.2588 GPRESSAVG: 4837200 58.7335 3.94489 -16.7635 -0.25499 -104.593 -21.8611 -16.0932 -23.2289 55.5257 TIMING: 4837200 CPU: 14550.8, 0.0030443/step Wall: 14550.8, 0.0030443/step, 0.13767 hours remaining, 209.070312 MB of memory in use. ENERGY: 4837200 755.2894 2072.4634 1923.3961 117.3831 -206126.2899 17770.3969 0.0000 0.0000 34342.6226 -149144.7385 299.9227 -183487.3611 -149056.3278 299.2954 -148.6203 -122.4542 560311.6033 3.3129 3.2221 PRESSURE: 4837400 194.314 20.4926 -223.01 20.4924 23.6168 39.1003 -223.01 39.1001 -1.62629 GPRESSURE: 4837400 210.483 -7.69171 -205.883 49.315 82.8489 19.5907 -220.016 53.881 11.3896 PRESSAVG: 4837400 60.5392 -12.8375 40.6027 -12.8376 -20.043 18.0419 40.6027 18.0419 -28.5087 GPRESSAVG: 4837400 59.7431 -14.2022 41.0594 -11.1567 -19.0785 15.3201 40.5856 20.8148 -28.5869 TIMING: 4837400 CPU: 14551.4, 0.00301789/step Wall: 14551.4, 0.00301789/step, 0.136308 hours remaining, 209.070312 MB of memory in use. ENERGY: 4837400 712.8056 2149.4567 1954.8683 119.4561 -206194.4386 17789.5291 0.0000 0.0000 34449.3103 -149019.0125 300.8544 -183468.3228 -148928.2868 299.8127 72.1016 101.5739 557882.9539 3.9958 4.0259 PRESSURE: 4837600 130.949 130.543 15.1747 130.543 288.164 -61.7208 15.1766 -61.7192 543.599 GPRESSURE: 4837600 207.651 157.602 -24.2695 146.729 316.47 -87.7516 73.5369 -23.9821 533.551 PRESSAVG: 4837600 -24.7053 21.6612 -28.7895 21.6612 -22.1616 48.5171 -28.7895 48.5171 55.12 GPRESSAVG: 4837600 -23.8595 23.0479 -29.2591 20.7186 -23.276 50.188 -28.2728 46.3365 54.9827 TIMING: 4837600 CPU: 14552, 0.0030271/step Wall: 14552, 0.0030271/step, 0.136556 hours remaining, 209.070312 MB of memory in use. ENERGY: 4837600 682.7220 2062.8055 1944.2830 117.2359 -206319.2866 18097.6050 0.0000 0.0000 34263.3948 -149151.2405 299.2307 -183414.6353 -149052.4672 300.2878 320.9040 352.5574 556772.4800 2.7510 2.6157 PRESSURE: 4837800 -162.277 -21.5882 90.3283 -21.5886 -176.484 64.234 90.328 64.2363 -51.5972 GPRESSURE: 4837800 -157.519 59.8872 46.0468 49.8321 -115.668 76.8423 37.498 84.1897 -25.6953 PRESSAVG: 4837800 -34.1732 15.4555 56.2115 15.4555 3.95245 -26.0092 56.2115 -26.0092 10.9865 GPRESSAVG: 4837800 -34.4752 12.4398 56.6721 15.3216 4.8113 -25.359 56.7438 -24.6414 10.5552 TIMING: 4837800 CPU: 14552.6, 0.00303623/step Wall: 14552.6, 0.00303623/step, 0.136799 hours remaining, 209.070312 MB of memory in use. ENERGY: 4837800 785.7216 2071.9674 1935.7869 113.3163 -205890.8417 17679.5694 0.0000 0.0000 34135.6788 -149168.8013 298.1154 -183304.4801 -149076.0077 300.3108 -130.1194 -99.6277 558107.7851 -6.4114 -6.3696 PRESSURE: 4838000 -84.0965 -73.8865 -16.6979 -73.8868 -114.606 -76.7176 -16.6978 -76.7185 -250.965 GPRESSURE: 4838000 -76.4662 -13.8191 88.0493 -108.203 -91.8951 -110.111 -5.95235 -76.2434 -180.836 PRESSAVG: 4838000 3.52221 -5.34349 -48.4828 -5.34348 -45.4496 17.305 -48.4827 17.305 35.537 GPRESSAVG: 4838000 2.82622 -3.26648 -48.9652 -6.96569 -45.5503 14.656 -48.6257 18.4483 36.4196 TIMING: 4838000 CPU: 14553.2, 0.0030311/step Wall: 14553.2, 0.0030311/step, 0.1364 hours remaining, 209.070312 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: 4838000 714.4063 2128.3019 1921.9106 113.6985 -206142.2290 17564.8350 0.0000 0.0000 34342.7834 -149356.2933 299.9241 -183699.0767 -149262.9084 299.5209 -149.8893 -116.3991 558469.2821 -2.1301 -2.1015 PRESSURE: 4838200 -15.5469 -118.906 -5.57546 -118.906 -148.073 -57.6913 -5.57531 -57.6918 5.22697 GPRESSURE: 4838200 -20.8126 -59.8748 -42.4777 -146.618 -129.488 -154.617 -107.997 -67.479 84.6487 PRESSAVG: 4838200 -46.8006 -8.00126 16.1058 -8.00125 -4.78374 -1.75206 16.1059 -1.75208 61.958 GPRESSAVG: 4838200 -46.592 -8.68726 15.4516 -7.48903 -5.53258 0.505584 15.2651 -3.69451 62.1408 TIMING: 4838200 CPU: 14553.8, 0.0030125/step Wall: 14553.8, 0.0030125/step, 0.135395 hours remaining, 209.070312 MB of memory in use. ENERGY: 4838200 781.6728 2092.4240 1933.7809 121.6275 -206165.2428 17778.1304 0.0000 0.0000 34241.8855 -149215.7216 299.0429 -183457.6072 -149127.8782 299.1251 -52.7977 -21.8841 557182.6577 3.4579 3.3387 PRESSURE: 4838400 -125.588 -45.9406 -23.0214 -45.94 -99.0548 28.6385 -23.0218 28.6371 -231.994 GPRESSURE: 4838400 -94.8691 -35.0355 48.7242 -82.7033 -72.7798 121.67 -111.242 -29.2976 -184.128 PRESSAVG: 4838400 -24.0565 -52.374 14.2686 -52.374 15.3038 -22.1307 14.2686 -22.1308 21.7931 GPRESSAVG: 4838400 -23.7273 -52.5333 13.5301 -53.512 13.9504 -21.4006 15.509 -22.309 22.4792 TIMING: 4838400 CPU: 14554.4, 0.0030296/step Wall: 14554.4, 0.0030296/step, 0.135995 hours remaining, 209.070312 MB of memory in use. ENERGY: 4838400 790.8168 2024.9167 1939.0168 119.1757 -206289.5488 17898.6409 0.0000 0.0000 34269.3864 -149247.5955 299.2831 -183516.9819 -149161.5245 298.7198 -152.2123 -117.2588 556994.4558 4.3468 4.2341 PRESSURE: 4838600 -91.0398 -92.2689 -110.255 -92.2685 172.352 120.451 -110.255 120.451 93.7991 GPRESSURE: 4838600 -83.051 -15.1103 -167.288 -156.62 253.945 136.616 -23.6759 111.401 100.165 PRESSAVG: 4838600 35.7657 0.486068 14.5684 0.486074 -41.4066 -14.2788 14.5684 -14.2789 11.2201 GPRESSAVG: 4838600 35.4508 -0.0436546 15.7067 3.43097 -40.1229 -16.2073 13.3296 -12.7992 10.7145 TIMING: 4838600 CPU: 14555, 0.0030526/step Wall: 14555, 0.0030526/step, 0.136858 hours remaining, 209.070312 MB of memory in use. ENERGY: 4838600 739.7175 2022.2540 1934.8186 119.4922 -206563.8986 17992.9206 0.0000 0.0000 34200.2529 -149554.4428 298.6793 -183754.6958 -149450.4802 298.7272 58.3703 90.3528 556076.1074 1.8597 2.0141 PRESSURE: 4838800 -76.7693 -174.213 141.97 -174.212 -288.897 80.1057 141.971 80.1056 -16.2091 GPRESSURE: 4838800 -67.8214 -191.594 82.3858 -177.87 -200.527 216.124 210.004 31.5495 -14.8344 PRESSAVG: 4838800 -30.5263 22.5525 36.3987 22.5525 3.26996 55.1587 36.3986 55.1588 13.7606 GPRESSAVG: 4838800 -31.6331 23.7428 36.1331 22.3199 3.69347 56.1252 38.2766 54.6129 14.1055 TIMING: 4838800 CPU: 14555.6, 0.00305064/step Wall: 14555.6, 0.00305064/step, 0.136601 hours remaining, 209.070312 MB of memory in use. ENERGY: 4838800 741.1336 2082.2500 1964.5968 115.7945 -206081.2010 17683.5508 0.0000 0.0000 34287.1096 -149206.7658 299.4379 -183493.8753 -149107.2273 298.8869 -127.2917 -94.3942 558418.9754 -4.4986 -4.6114 PRESSURE: 4839000 70.7104 178.299 57.4806 178.299 -40.14 78.1684 57.4816 78.1685 -177.744 GPRESSURE: 4839000 90.7066 210.681 116.198 141.021 -14.5804 113.822 7.63349 24.1055 -134.235 PRESSAVG: 4839000 -40.7035 24.3295 60.0733 24.3295 38.085 -15.1543 60.0732 -15.1544 24.2828 GPRESSAVG: 4839000 -40.3617 24.185 59.6045 23.2378 36.6846 -17.1029 58.3326 -12.9603 25.6395 TIMING: 4839000 CPU: 14556.2, 0.00304598/step Wall: 14556.2, 0.00304598/step, 0.136223 hours remaining, 209.070312 MB of memory in use. ENERGY: 4839000 740.7216 2066.1568 1962.2110 117.2948 -206062.8908 17637.9353 0.0000 0.0000 34334.7743 -149203.7971 299.8541 -183538.5715 -149106.6491 299.8509 -49.0580 -19.3695 557237.5088 7.2214 7.3208 PRESSURE: 4839200 -467.531 -46.3894 41.0669 -46.3892 -68.3161 -117.393 41.067 -117.394 -89.0165 GPRESSURE: 4839200 -417.4 60.0062 10.2688 -19.4063 -2.19361 -95.8273 24.5462 -78.492 -89.2793 PRESSAVG: 4839200 14.0756 -2.48075 20.6296 -2.48083 -74.5985 -20.6016 20.6297 -20.6016 13.2096 GPRESSAVG: 4839200 15.4357 -3.38905 20.9968 -3.06105 -73.1634 -18.4561 20.0064 -21.2208 10.8846 TIMING: 4839200 CPU: 14556.8, 0.00304031/step Wall: 14556.8, 0.00304031/step, 0.135801 hours remaining, 209.070312 MB of memory in use. ENERGY: 4839200 769.8840 2076.5344 1940.9559 113.6222 -206056.0333 17607.5354 0.0000 0.0000 34145.4049 -149402.0965 298.2003 -183547.5013 -149305.8710 297.9579 -208.2879 -169.6243 558343.7738 -15.7711 -15.6144 PRESSURE: 4839400 -280.227 -30.9199 219.525 -30.9202 -267.428 27.1196 219.524 27.1187 90.3026 GPRESSURE: 4839400 -268.967 7.92736 217.29 -13.1938 -221.779 3.83153 147.127 40.1835 120.766 PRESSAVG: 4839400 -5.58804 -5.6239 -51.8471 -5.62387 -14.0049 51.6199 -51.8471 51.6198 57.2202 GPRESSAVG: 4839400 -5.59764 -5.74999 -51.0547 -4.35077 -14.9508 51.3721 -51.1689 50.5633 58.3597 TIMING: 4839400 CPU: 14557.4, 0.00303713/step Wall: 14557.4, 0.00303713/step, 0.13549 hours remaining, 209.070312 MB of memory in use. ENERGY: 4839400 773.6086 2034.8861 1920.9226 110.1221 -205912.2139 17595.5395 0.0000 0.0000 34338.4298 -149138.7051 299.8860 -183477.1349 -149038.4836 298.9609 -152.4510 -123.3268 559557.5953 12.5424 12.6037 PRESSURE: 4839600 46.7142 161.038 -12.3244 161.037 52.7429 41.1475 -12.3246 41.1473 -181.746 GPRESSURE: 4839600 77.5609 166.759 26.6797 117.983 51.8048 56.4486 -48.7399 -40.5894 -113.574 PRESSAVG: 4839600 -1.1135 9.88503 9.42335 9.88511 -48.3367 9.86611 9.4234 9.86623 22.046 GPRESSAVG: 4839600 -1.38743 9.09202 8.58427 10.5009 -47.4619 11.066 8.52767 7.69193 22.1317 TIMING: 4839600 CPU: 14558, 0.00303076/step Wall: 14558, 0.00303076/step, 0.135037 hours remaining, 209.070312 MB of memory in use. ENERGY: 4839600 729.8688 2173.2869 1917.0526 115.6884 -206319.3141 17801.3383 0.0000 0.0000 34333.4524 -149248.6267 299.8426 -183582.0791 -149160.1944 299.0582 -27.4296 5.2638 558303.5563 -9.1347 -8.9059 PRESSURE: 4839800 -146.9 -120.772 -29.0244 -120.771 43.222 88.0288 -29.0249 88.0266 -136.874 GPRESSURE: 4839800 -94.5572 -77.6813 -59.5505 -115.803 10.482 88.6044 -30.1561 105.119 -67.832 PRESSAVG: 4839800 69.4975 -14.5074 42.6714 -14.5074 -22.7789 45.0549 42.6714 45.0549 -77.2786 GPRESSAVG: 4839800 69.9367 -12.7672 44.843 -15.2098 -22.7928 44.5984 41.7597 48.3613 -77.7848 TIMING: 4839800 CPU: 14558.7, 0.00307485/step Wall: 14558.7, 0.00307485/step, 0.136831 hours remaining, 209.070312 MB of memory in use. ENERGY: 4839800 756.4548 2067.0438 1973.2438 115.9290 -206485.9320 17915.2146 0.0000 0.0000 34304.6846 -149353.3615 299.5913 -183658.0461 -149256.2157 298.7327 -80.1840 -50.6357 557589.1428 -10.1867 -10.2136 PRESSURE: 4840000 89.234 218.275 -1.09014 218.275 65.7049 39.1947 -1.09031 39.1943 -198.885 GPRESSURE: 4840000 92.1838 269.921 -40.1724 181.941 91.2973 63.5483 -49.3319 69.5185 -115.909 PRESSAVG: 4840000 31.6029 1.00329 7.03225 1.00329 -28.2297 75.8074 7.03232 75.8075 -18.2837 GPRESSAVG: 4840000 30.6362 1.03826 4.11838 1.99294 -27.9788 73.7368 11.1467 76.6383 -17.4944 TIMING: 4840000 CPU: 14559.3, 0.00308587/step Wall: 14559.3, 0.00308587/step, 0.13715 hours remaining, 209.070312 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: 4840000 713.1709 2041.8090 1961.8847 110.6298 -206374.5228 17886.3342 0.0000 0.0000 34312.3525 -149348.3417 299.6583 -183660.6943 -149253.8171 298.7674 -14.6488 22.5241 558235.2516 -4.9702 -4.9457 PRESSURE: 4840200 -213.295 173.553 -223.588 173.553 -125.998 -40.83 -223.589 -40.8295 -381.698 GPRESSURE: 4840200 -204.49 156.453 -101.637 197.819 -35.7192 -56.9396 -199.316 3.15895 -392.603 PRESSAVG: 4840200 -37.5984 25.9585 -17.1661 25.9585 24.9882 5.42639 -17.1662 5.42638 46.9283 GPRESSAVG: 4840200 -38.447 25.4296 -17.97 26.293 25.0995 9.41326 -17.9151 1.48876 47.1634 TIMING: 4840200 CPU: 14559.9, 0.00306206/step Wall: 14559.9, 0.00306206/step, 0.135922 hours remaining, 209.070312 MB of memory in use. ENERGY: 4840200 787.4051 2085.7231 1936.0315 117.3052 -206207.0622 17515.2011 0.0000 0.0000 34263.2706 -149502.1255 299.2297 -183765.3961 -149396.5964 298.2946 -240.3304 -210.9373 556848.3518 11.4393 11.2719 LDB: ============= START OF LOAD BALANCING ============== 14563.3 LDB: ============== END OF LOAD BALANCING =============== 14563.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14563.3 LDB: ============= START OF LOAD BALANCING ============== 14563.6 LDB: Largest compute 4820 load 0.027144 is 23.0% of average load 0.118203 LDB: Average compute 0.001723 is 1.5% of average load 0.118203 LDB: TIME 14563.6 LOAD: AVG 0.118203 MAX 0.217904 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.738 MB LDB: TIME 14563.6 LOAD: AVG 0.118203 MAX 0.217904 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.945 MB LDB: TIME 14563.6 LOAD: AVG 0.118203 MAX 0.217904 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.945 MB LDB: ============== END OF LOAD BALANCING =============== 14563.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14563.6 PRESSURE: 4840400 27.4362 99.2765 -32.7275 99.2768 39.4887 -100.677 -32.7281 -100.678 -72.9707 GPRESSURE: 4840400 40.1588 74.12 -127.451 69.6301 27.2263 -75.8499 17.8552 -33.5661 12.3687 PRESSAVG: 4840400 -15.3896 -91.5545 -0.158586 -91.5545 13.861 4.80985 -0.158605 4.8099 13.7937 GPRESSAVG: 4840400 -13.8655 -92.3748 2.93902 -91.7259 11.994 3.02103 -0.620078 7.35136 13.84 TIMING: 4840400 CPU: 14560.5, 0.00313373/step Wall: 14560.5, 0.00313373/step, 0.138929 hours remaining, 207.480469 MB of memory in use. ENERGY: 4840400 735.8761 2112.2696 1934.1397 123.2546 -206351.9780 17835.5440 0.0000 0.0000 34123.8332 -149487.0608 298.0119 -183610.8940 -149391.2702 298.8302 -2.0153 26.5846 557017.4739 4.0884 3.9895 PRESSURE: 4840600 -295.812 -132.184 2.89468 -132.185 -197.749 -32.9475 2.89629 -32.9487 -201.976 GPRESSURE: 4840600 -237.919 -103.683 -63.2904 -172.616 -181.075 -100.015 -47.775 9.85389 -183.68 PRESSAVG: 4840600 -20.0926 -9.60987 -58.4805 -9.60974 16.3814 -34.2866 -58.4805 -34.2867 2.15554 GPRESSAVG: 4840600 -20.6818 -7.8164 -59.2233 -10.4478 17.6404 -34.7723 -58.7224 -34.5121 2.17741 TIMING: 4840600 CPU: 14561.1, 0.00308054/step Wall: 14561.1, 0.00308054/step, 0.1364 hours remaining, 207.683594 MB of memory in use. ENERGY: 4840600 772.9433 2146.3491 1929.5939 125.8176 -206336.8863 17677.5994 0.0000 0.0000 34092.4835 -149592.0994 297.7381 -183684.5829 -149497.7667 298.3018 -231.8458 -200.8913 558189.9937 -0.5186 -0.2880 PRESSURE: 4840800 -204.735 -56.7245 126.595 -56.7242 -54.2512 -44.7417 126.596 -44.7411 -12.4021 GPRESSURE: 4840800 -190.954 -11.6828 167.114 -51.406 -14.6308 -5.035 96.2275 -76.7184 23.2073 PRESSAVG: 4840800 -14.7998 2.74786 -29.861 2.74789 -50.6485 -25.906 -29.8611 -25.906 66.8774 GPRESSAVG: 4840800 -13.5466 2.44728 -28.3959 4.30242 -51.5713 -25.144 -30.7459 -26.0808 66.2842 TIMING: 4840800 CPU: 14561.7, 0.00306981/step Wall: 14561.7, 0.00306981/step, 0.135754 hours remaining, 207.683594 MB of memory in use. ENERGY: 4840800 763.0302 2108.7293 1962.4105 133.1997 -206618.3151 17840.2639 0.0000 0.0000 34231.1969 -149579.4845 298.9496 -183810.6814 -149486.0535 297.9764 -90.4627 -60.7926 556742.7778 0.4764 0.3887 PRESSURE: 4841000 -295.712 -122.412 -149.671 -122.413 -326.895 -17.8095 -149.671 -17.8094 -277.073 GPRESSURE: 4841000 -271.256 -74.0399 -208.299 -37.722 -258.539 67.2745 -92.788 -113.409 -287.042 PRESSAVG: 4841000 15.5458 17.4199 -2.7514 17.4198 -11.9389 12.4606 -2.75143 12.4606 15.9574 GPRESSAVG: 4841000 15.0265 16.2148 -4.13533 16.8623 -11.0297 13.4304 -1.48395 9.00422 15.2593 TIMING: 4841000 CPU: 14562.4, 0.00305934/step Wall: 14562.4, 0.00305934/step, 0.135121 hours remaining, 207.683594 MB of memory in use. ENERGY: 4841000 792.6294 2137.1324 1944.1225 115.4839 -205705.5186 17203.4686 0.0000 0.0000 34032.9197 -149479.7620 297.2180 -183512.6817 -149380.9156 299.2017 -299.8931 -272.2787 557516.7262 6.5214 6.4187 PRESSURE: 4841200 -184.156 48.4474 -159.082 48.4472 12.5825 165.738 -159.084 165.739 65.2845 GPRESSURE: 4841200 -185.15 129.838 -223.539 -49.804 67.7142 171.792 -173.605 183.541 104.968 PRESSAVG: 4841200 33.7787 24.9872 -45.774 24.9871 -39.8331 15.8852 -45.7739 15.8852 52.5046 GPRESSAVG: 4841200 32.7354 25.3163 -43.8984 25.2388 -39.6431 14.9081 -49.0249 19.202 53.7379 TIMING: 4841200 CPU: 14563, 0.00305629/step Wall: 14563, 0.00305629/step, 0.134816 hours remaining, 207.683594 MB of memory in use. ENERGY: 4841200 745.3661 2121.1239 1957.9196 110.8672 -206551.6930 17714.0763 0.0000 0.0000 34374.4325 -149527.9073 300.2005 -183902.3398 -149419.6193 298.8232 -35.4298 -4.1559 556277.8949 15.4834 15.6101 PRESSURE: 4841400 89.2494 -109.592 -187.714 -109.59 -10.7445 146.268 -187.714 146.267 -30.5744 GPRESSURE: 4841400 100.476 -118.041 -202.551 -135.755 59.5118 131.348 -119.353 103.268 -10.7832 PRESSAVG: 4841400 -60.1418 3.55277 -73.7126 3.55279 -57.6826 2.60646 -73.7126 2.60647 102.901 GPRESSAVG: 4841400 -60.0532 2.9697 -74.9531 4.05142 -56.3739 0.954938 -72.1531 1.74839 101.191 TIMING: 4841400 CPU: 14563.6, 0.00306464/step Wall: 14563.6, 0.00306464/step, 0.135014 hours remaining, 207.683594 MB of memory in use. ENERGY: 4841400 749.0348 2083.3535 1952.6588 110.7261 -206691.2474 17874.6062 0.0000 0.0000 34382.8761 -149537.9918 300.2742 -183920.8679 -149445.2430 298.7668 15.9769 49.7348 556039.7289 -4.9746 -5.0787 PRESSURE: 4841600 97.8148 14.2181 -66.6376 14.2179 20.785 77.5931 -66.6374 77.5931 -118.934 GPRESSURE: 4841600 131.449 0.846333 -55.599 3.10974 56.3157 8.8701 -51.0474 127.058 -102.24 PRESSAVG: 4841600 22.3402 -3.46919 2.4699 -3.46915 -32.7544 -20.8999 2.46989 -20.8999 -13.1266 GPRESSAVG: 4841600 22.4737 -3.09772 2.42987 -1.12832 -33.6957 -20.0859 1.26475 -17.4549 -12.7313 TIMING: 4841600 CPU: 14564.2, 0.00308613/step Wall: 14564.2, 0.00308613/step, 0.13579 hours remaining, 207.683594 MB of memory in use. ENERGY: 4841600 774.0982 2120.2370 1960.0537 126.1179 -206441.1418 17850.2437 0.0000 0.0000 34299.8766 -149310.5147 299.5494 -183610.3912 -149220.3494 299.3619 -0.1114 28.5081 556775.1212 -7.8469 -7.9844 PRESSURE: 4841800 78.4516 -168.477 13.1189 -168.478 116.772 -76.856 13.1187 -76.856 -6.0384 GPRESSURE: 4841800 96.5343 -183.892 56.7039 -108.404 150.942 -27.8604 11.0828 -87.8932 33.0618 PRESSAVG: 4841800 12.617 30.7321 -52.7147 30.7321 28.4144 -9.64245 -52.7147 -9.64255 -20.7207 GPRESSAVG: 4841800 12.5298 31.6919 -53.368 28.6192 27.5144 -9.65475 -50.8347 -12.4252 -19.3029 TIMING: 4841800 CPU: 14564.8, 0.00304903/step Wall: 14564.8, 0.00304903/step, 0.133988 hours remaining, 207.683594 MB of memory in use. ENERGY: 4841800 723.6766 2063.1332 1954.7525 130.5425 -206016.4420 17804.7667 0.0000 0.0000 34091.3480 -149248.2225 297.7282 -183339.5705 -149156.4408 299.1637 63.0619 93.5128 557328.7095 6.7702 6.9138 PRESSURE: 4842000 218.28 112.219 217.148 112.219 1.48953 -170.542 217.146 -170.543 -271.16 GPRESSURE: 4842000 215.443 60.9345 141.333 116.526 29.4794 -153.105 179.686 -78.8814 -188.696 PRESSAVG: 4842000 9.26738 29.8694 -19.2498 29.8694 18.6428 -6.83619 -19.2499 -6.8362 -6.37501 GPRESSAVG: 4842000 10.9147 28.2644 -18.7113 29.8106 18.6733 -6.74447 -20.1269 -6.06829 -7.54572 TIMING: 4842000 CPU: 14565.4, 0.00302141/step Wall: 14565.4, 0.00302141/step, 0.132606 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: 4842000 744.4927 2118.8097 1961.5912 122.5792 -206201.9464 17762.8510 0.0000 0.0000 34304.7962 -149186.8265 299.5923 -183491.6227 -149098.8229 298.9833 -17.1304 18.7419 557490.5062 7.1784 7.3474 PRESSURE: 4842200 205.73 -12.5299 31.6378 -12.5296 176.393 -41.9562 31.6391 -41.9568 -365.964 GPRESSURE: 4842200 245.762 -60.3891 61.7079 22.1003 176.554 -87.5885 74.7102 -53.6716 -301.28 PRESSAVG: 4842200 -12.7327 9.94629 18.6206 9.94628 21.9554 -74.1902 18.6206 -74.1902 -4.23566 GPRESSAVG: 4842200 -12.944 11.2217 18.525 10.4237 21.1949 -74.609 18.5523 -73.903 -3.45281 TIMING: 4842200 CPU: 14566, 0.00302139/step Wall: 14566, 0.00302139/step, 0.132437 hours remaining, 207.683594 MB of memory in use. ENERGY: 4842200 745.0845 2052.2371 1917.4391 123.1919 -206406.9311 17825.5761 0.0000 0.0000 34390.4296 -149352.9728 300.3402 -183743.4024 -149258.9328 299.1956 5.3860 40.3454 559073.3609 1.6623 1.5994 PRESSURE: 4842400 -346.466 -91.0364 -91.1576 -91.0369 -141.168 -145.442 -91.1591 -145.441 -186.294 GPRESSURE: 4842400 -346.579 -99.2787 -142.727 -107.483 -113.764 -142.302 -74.2613 -179.494 -111.852 PRESSAVG: 4842400 36.0204 -9.20445 -21.7391 -9.20438 74.3278 -62.4228 -21.7391 -62.4228 -57.866 GPRESSAVG: 4842400 35.1514 -9.14489 -23.1629 -8.64208 75.2745 -60.5797 -21.2673 -64.358 -58.0294 TIMING: 4842400 CPU: 14566.6, 0.00303766/step Wall: 14566.6, 0.00303766/step, 0.132982 hours remaining, 207.683594 MB of memory in use. ENERGY: 4842400 745.3477 2069.3734 1977.0449 106.3208 -205779.5659 17423.3119 0.0000 0.0000 34039.2928 -149418.8744 297.2736 -183458.1672 -149324.4055 298.1629 -224.6424 -190.7319 558630.1393 17.4940 17.4655 PRESSURE: 4842600 -220.39 38.5983 -268.121 38.5978 27.8245 -65.2341 -268.121 -65.2344 121.132 GPRESSURE: 4842600 -194.83 -23.7336 -237.415 -36.4034 74.8411 -55.6196 -341.153 -47.4724 144.19 PRESSAVG: 4842600 -47.1782 -4.27865 -21.2025 -4.27866 29.286 -54.5673 -21.2024 -54.5674 -38.5184 GPRESSAVG: 4842600 -46.2307 -3.59589 -18.6803 -5.39312 30.4027 -54.8177 -21.5572 -53.1163 -39.9915 TIMING: 4842600 CPU: 14567.2, 0.00301516/step Wall: 14567.2, 0.00301516/step, 0.131829 hours remaining, 207.683594 MB of memory in use. ENERGY: 4842600 804.8088 2124.1707 1967.4617 115.5507 -206707.9590 18004.7888 0.0000 0.0000 34305.3889 -149385.7893 299.5975 -183691.1782 -149293.1228 298.5282 -23.8112 8.0671 557164.2379 -18.8036 -18.6065 PRESSURE: 4842800 22.3416 80.3592 35.4616 80.3602 -201.241 -142.791 35.4627 -142.793 -80.8383 GPRESSURE: 4842800 52.7915 32.9264 -22.2853 70.8707 -165.68 -151.859 123.551 -60.0638 -37.8748 PRESSAVG: 4842800 50.0446 44.9336 50.586 44.9336 10.6318 -21.7081 50.586 -21.7081 -43.0083 GPRESSAVG: 4842800 49.6801 44.6936 47.0736 45.1898 9.50074 -22.7784 51.7598 -20.4673 -40.9652 TIMING: 4842800 CPU: 14567.8, 0.00300493/step Wall: 14567.8, 0.00300493/step, 0.131215 hours remaining, 207.683594 MB of memory in use. ENERGY: 4842800 771.3553 2133.8331 1940.0298 117.6118 -206162.5803 17706.2866 0.0000 0.0000 34177.1364 -149316.3271 298.4774 -183493.4635 -149221.6855 299.0918 -86.5791 -50.2544 557733.0854 5.8893 6.0719 PRESSURE: 4843000 -7.8723 -32.8695 170.009 -32.8704 -212.439 -86.5341 170.009 -86.5351 76.7584 GPRESSURE: 4843000 48.7854 16.2633 127.602 -0.599976 -187.044 -106.614 250.872 -42.3761 89.9778 PRESSAVG: 4843000 36.769 17.7364 -20.7157 17.7364 7.44012 -10.9028 -20.7157 -10.9027 -25.2148 GPRESSAVG: 4843000 35.7057 18.8475 -20.7081 14.1643 8.02248 -11.1634 -20.5243 -11.0662 -24.5217 TIMING: 4843000 CPU: 14568.4, 0.00300646/step Wall: 14568.4, 0.00300646/step, 0.131115 hours remaining, 207.683594 MB of memory in use. ENERGY: 4843000 785.7638 2098.8652 1928.9659 116.9663 -206274.5631 17744.8738 0.0000 0.0000 34108.1053 -149491.0226 297.8746 -183599.1279 -149392.9085 299.1855 -47.8510 -16.0937 555976.3522 6.3315 6.4022 PRESSURE: 4843200 155.6 -36.0646 -82.8318 -36.0633 -2.95833 -71.295 -82.8303 -71.2946 -108.185 GPRESSURE: 4843200 166.643 -8.79054 -147.646 -22.4794 38.6242 -65.0925 11.2553 -174.98 -61.8431 PRESSAVG: 4843200 56.8089 -8.71988 23.5596 -8.71992 -54.0276 -40.7383 23.5595 -40.7383 43.7419 GPRESSAVG: 4843200 58.7606 -10.6343 24.146 -4.47581 -55.2567 -40.5737 23.2689 -41.58 43.3752 TIMING: 4843200 CPU: 14569, 0.0030381/step Wall: 14569, 0.0030381/step, 0.132326 hours remaining, 207.683594 MB of memory in use. ENERGY: 4843200 750.7784 2072.5787 1936.2878 111.0692 -206129.8912 17678.2116 0.0000 0.0000 34281.7122 -149299.2534 299.3907 -183580.9656 -149195.5897 299.2444 14.8187 47.8079 555708.4769 15.5077 15.6264 PRESSURE: 4843400 240.855 34.8171 81.6527 34.8161 99.084 -126.929 81.6528 -126.929 20.0407 GPRESSURE: 4843400 236.773 33.3668 115.21 102.377 134.697 -51.618 62.1591 -189.648 85.4539 PRESSAVG: 4843400 25.9022 20.2727 -67.8995 20.2726 -53.4825 -26.852 -67.8995 -26.852 37.2861 GPRESSAVG: 4843400 26.3671 19.7419 -68.2355 19.2768 -51.8515 -26.0335 -67.2558 -28.452 35.9877 TIMING: 4843400 CPU: 14569.6, 0.00304082/step Wall: 14569.6, 0.00304082/step, 0.132276 hours remaining, 207.683594 MB of memory in use. ENERGY: 4843400 737.9430 2076.2840 1933.8172 108.8817 -206364.6442 18020.5826 0.0000 0.0000 34232.9941 -149254.1417 298.9653 -183487.1358 -149155.7247 299.4551 119.9931 152.3077 555552.0168 3.2353 3.5011 PRESSURE: 4843600 -55.3203 12.5345 1.76749 12.5346 -112.586 13.8994 1.76737 13.8998 -10.9536 GPRESSURE: 4843600 -30.6807 15.1937 -2.72315 -46.6474 -50.1999 -35.2363 -44.6369 -43.4892 -0.73419 PRESSAVG: 4843600 60.5027 51.6611 38.827 51.6611 10.593 -51.2372 38.827 -51.2373 -47.7592 GPRESSAVG: 4843600 59.6167 52.112 40.3441 51.452 11.5966 -53.018 39.1912 -50.5568 -47.9435 TIMING: 4843600 CPU: 14570.2, 0.00304247/step Wall: 14570.2, 0.00304247/step, 0.132178 hours remaining, 207.683594 MB of memory in use. ENERGY: 4843600 755.9130 2122.9396 1936.0062 103.2036 -206156.0177 17827.6084 0.0000 0.0000 34250.0765 -149160.2703 299.1144 -183410.3467 -149071.7704 298.5385 -59.6199 -27.2049 557834.6986 7.7789 7.7566 PRESSURE: 4843800 124.368 -26.3877 -128.668 -26.3899 -159.765 57.8015 -128.668 57.8015 -171.156 GPRESSURE: 4843800 142.281 -54.8314 -98.4514 -24.2302 -138.786 9.36021 -114.133 10.5526 -101.881 PRESSAVG: 4843800 55.8692 20.4071 -34.2942 20.4071 32.6596 18.988 -34.2941 18.9879 -89.3042 GPRESSAVG: 4843800 56.1316 18.9311 -33.8228 20.3389 31.5623 19.6407 -35.4035 18.7853 -88.3405 TIMING: 4843800 CPU: 14570.9, 0.00303155/step Wall: 14570.9, 0.00303155/step, 0.131535 hours remaining, 207.683594 MB of memory in use. ENERGY: 4843800 740.6721 2124.8513 1917.8282 126.2969 -206218.5416 17726.0091 0.0000 0.0000 34414.6254 -149168.2587 300.5515 -183582.8841 -149074.0852 299.1148 -68.8509 -32.7952 557531.8590 -0.2584 -0.2155 PRESSURE: 4844000 -109.108 26.5248 -51.0536 26.5236 -57.5237 -160.57 -51.0555 -160.57 -82.7677 GPRESSURE: 4844000 -89.0392 -6.20597 -57.0025 23.029 -7.00923 -243.177 -8.86736 -67.3685 -61.895 PRESSAVG: 4844000 55.9516 4.1696 -42.1171 4.16967 -70.9994 2.12967 -42.117 2.1296 19.187 GPRESSAVG: 4844000 54.897 4.24697 -43.9445 4.76308 -70.4814 1.70804 -41.7727 2.3125 19.7541 TIMING: 4844000 CPU: 14571.5, 0.00300904/step Wall: 14571.5, 0.00300904/step, 0.130392 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: 4844000 735.5681 2121.1479 1927.3804 109.0859 -206083.3772 17638.9208 0.0000 0.0000 34373.9243 -149177.3499 300.1960 -183551.2741 -149079.0915 300.1570 -83.1330 -52.6478 557212.3770 1.3798 1.3899 PRESSURE: 4844200 -171.629 -103.329 56.1159 -103.329 -291.565 90.9058 56.116 90.9058 -121.274 GPRESSURE: 4844200 -85.9494 -115.273 50.9276 -145.811 -273.216 19.0715 66.8777 64.6281 -122.184 PRESSAVG: 4844200 -5.21238 -60.3424 -27.8105 -60.3424 -16.8159 -30.3028 -27.8104 -30.3028 -14.6484 GPRESSAVG: 4844200 -5.93165 -59.5034 -27.5898 -61.5016 -17.233 -28.8786 -27.9475 -30.1642 -13.1604 TIMING: 4844200 CPU: 14572.1, 0.00304657/step Wall: 14572.1, 0.00304657/step, 0.131849 hours remaining, 207.683594 MB of memory in use. ENERGY: 4844200 786.5578 2114.7055 1932.1654 124.2277 -205657.6207 17403.9296 0.0000 0.0000 34298.9436 -148997.0911 299.5412 -183296.0347 -148898.8760 300.0963 -194.8227 -160.4500 557871.5107 -12.2256 -12.1084 LDB: ============= START OF LOAD BALANCING ============== 14575.5 LDB: ============== END OF LOAD BALANCING =============== 14575.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14575.5 LDB: ============= START OF LOAD BALANCING ============== 14575.8 LDB: Largest compute 4820 load 0.028441 is 24.1% of average load 0.118192 LDB: Average compute 0.001730 is 1.5% of average load 0.118192 LDB: TIME 14575.8 LOAD: AVG 0.118192 MAX 0.216757 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.445 MB LDB: TIME 14575.8 LOAD: AVG 0.118192 MAX 0.216757 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.449 MB LDB: TIME 14575.8 LOAD: AVG 0.118192 MAX 0.216757 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.449 MB LDB: ============== END OF LOAD BALANCING =============== 14575.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14575.8 PRESSURE: 4844400 -237.107 -155.085 -6.82464 -155.086 72.7417 -38.8042 -6.82426 -38.804 -327.786 GPRESSURE: 4844400 -175.802 -52.5876 60.8355 -175.809 41.9261 -51.568 -1.61718 -39.1341 -262.539 PRESSAVG: 4844400 27.0579 -85.9866 -38.9148 -85.9866 -8.97121 8.53723 -38.9148 8.53728 -12.9485 GPRESSAVG: 4844400 28.128 -86.305 -37.3545 -84.6954 -9.1769 9.3812 -39.2686 9.97281 -13.6045 TIMING: 4844400 CPU: 14572.7, 0.00309161/step Wall: 14572.7, 0.00309161/step, 0.133626 hours remaining, 208.234375 MB of memory in use. ENERGY: 4844400 761.2631 2088.2300 1955.4409 115.9124 -205576.2603 17412.5242 0.0000 0.0000 34172.7192 -149070.1705 298.4389 -183242.8897 -148967.6310 299.5333 -164.0504 -132.1384 557340.1932 1.7128 1.7822 PRESSURE: 4844600 285.236 -29.5406 -169.829 -29.5413 61.4661 38.6316 -169.828 38.6312 327.767 GPRESSURE: 4844600 334.402 -73.0653 -156.98 51.0055 67.3725 6.93026 -168.631 45.7485 364.243 PRESSAVG: 4844600 0.481096 5.76663 -46.3879 5.76681 -4.85807 -0.155321 -46.388 -0.155254 -4.08786 GPRESSAVG: 4844600 0.940235 4.52389 -47.9829 3.57026 -5.20233 -3.42375 -45.3445 -0.915213 -4.32302 TIMING: 4844600 CPU: 14573.3, 0.00304747/step Wall: 14573.3, 0.00304747/step, 0.131549 hours remaining, 208.234375 MB of memory in use. ENERGY: 4844600 744.9334 2137.5119 1935.7475 114.0089 -206213.6726 18012.8751 0.0000 0.0000 34134.0209 -149134.5749 298.1009 -183268.5957 -149038.4007 299.5886 224.8230 255.3391 557272.3804 -2.8216 -2.8617 PRESSURE: 4844800 16.2767 36.456 -185.864 36.4549 98.3428 132.855 -185.863 132.855 -21.7032 GPRESSURE: 4844800 1.50457 92.5531 -186.537 -2.95128 155.647 130.259 -197.074 133.16 38.0059 PRESSAVG: 4844800 -51.5104 12.1429 -59.9421 12.1429 57.6743 15.0358 -59.9421 15.0358 -24.0347 GPRESSAVG: 4844800 -50.647 13.5605 -59.0802 12.7729 56.9535 17.0816 -60.3059 13.8344 -24.2721 TIMING: 4844800 CPU: 14573.9, 0.0030143/step Wall: 14573.9, 0.0030143/step, 0.12995 hours remaining, 208.234375 MB of memory in use. ENERGY: 4844800 739.6801 2053.6639 1946.3149 105.8495 -206161.4399 17952.0398 0.0000 0.0000 34205.9957 -149157.8960 298.7295 -183363.8917 -149066.1844 299.8518 30.9721 65.0526 558050.2692 -5.9569 -5.9885 PRESSURE: 4845000 -367.006 -31.3401 -104.571 -31.3408 -1.29378 85.3651 -104.57 85.3652 -151.216 GPRESSURE: 4845000 -381.238 -78.4538 -101.975 8.68463 45.7394 48.0054 -68.8406 63.4865 -92.201 PRESSAVG: 4845000 -8.94132 20.751 -16.5906 20.7511 18.4898 32.3635 -16.5905 32.3635 9.058 GPRESSAVG: 4845000 -10.6743 19.9209 -16.0475 21.13 19.735 32.192 -14.8266 33.7433 9.71671 TIMING: 4845000 CPU: 14574.5, 0.00300624/step Wall: 14574.5, 0.00300624/step, 0.129435 hours remaining, 208.234375 MB of memory in use. ENERGY: 4845000 767.8804 2082.8193 1954.0607 113.5685 -205740.8169 17425.5697 0.0000 0.0000 34246.2714 -149150.6468 299.0812 -183396.9183 -149045.8959 299.2928 -173.1721 -142.5665 557691.9608 6.2022 6.2591 PRESSURE: 4845200 113.79 81.0657 3.62749 81.0665 -60.9563 -170.073 3.6281 -170.072 -50.1502 GPRESSURE: 4845200 157.276 58.0323 -13.8766 54.5127 -12.7941 -185.372 -22.5128 -181.927 -40.484 PRESSAVG: 4845200 -74.4802 1.90374 -12.7795 1.90385 37.3824 17.1456 -12.7796 17.1456 51.2301 GPRESSAVG: 4845200 -73.4329 2.01532 -10.523 0.359567 37.0591 15.9473 -16.0399 18.1596 50.8196 TIMING: 4845200 CPU: 14575.1, 0.00305964/step Wall: 14575.1, 0.00305964/step, 0.131564 hours remaining, 208.234375 MB of memory in use. ENERGY: 4845200 756.0001 2092.4309 1938.7951 121.1841 -205993.6278 17732.0123 0.0000 0.0000 34214.1500 -149139.0553 298.8007 -183353.2052 -149043.5925 299.7882 0.8945 34.6661 557959.9863 4.7108 4.8152 PRESSURE: 4845400 -451.129 -228.061 192.402 -228.063 -143.83 27.1606 192.402 27.1607 -185.633 GPRESSURE: 4845400 -397.703 -321.538 210.988 -55.7571 -98.3513 -20.1424 179.683 64.5333 -181.53 PRESSAVG: 4845400 16.0808 -36.68 23.8635 -36.68 -27.5301 15.0954 23.8635 15.0953 -14.8188 GPRESSAVG: 4845400 15.7492 -36.2926 22.4262 -35.4676 -27.0835 15.7273 25.5835 13.9047 -14.3187 TIMING: 4845400 CPU: 14575.7, 0.00304633/step Wall: 14575.7, 0.00304633/step, 0.130823 hours remaining, 208.234375 MB of memory in use. ENERGY: 4845400 763.5841 2116.5858 1952.8728 102.2146 -206284.9157 17757.4511 0.0000 0.0000 34248.5031 -149343.7041 299.1007 -183592.2072 -149245.8819 298.3550 -260.1974 -225.8614 559642.2961 -8.7560 -8.5510 PRESSURE: 4845600 229.319 -120.448 -112.409 -120.447 -6.47992 175.237 -112.408 175.236 -50.1781 GPRESSURE: 4845600 230.258 -144.718 -66.3814 -103.758 48.2454 118.292 -86.4829 124.368 -9.88657 PRESSAVG: 4845600 11.2178 -34.8116 -71.2557 -34.8115 8.08754 -22.9712 -71.2557 -22.9713 -14.8185 GPRESSAVG: 4845600 12.0504 -36.8497 -72.3517 -34.3238 8.52493 -24.9973 -71.2078 -22.7214 -16.0928 TIMING: 4845600 CPU: 14576.3, 0.00303147/step Wall: 14576.3, 0.00303147/step, 0.130016 hours remaining, 208.234375 MB of memory in use. ENERGY: 4845600 717.8251 2138.4748 1954.6057 132.4099 -206352.8320 17871.1442 0.0000 0.0000 34162.3046 -149376.0677 298.3479 -183538.3722 -149284.3110 298.7889 57.5538 89.5389 558308.8702 1.4956 1.4942 PRESSURE: 4845800 -74.1852 100.06 -104.09 100.06 94.4929 -42.6409 -104.09 -42.6401 -76.9178 GPRESSURE: 4845800 -61.2034 157.276 -120.538 96.4805 134.709 -62.9559 -55.6361 -61.6366 -44.2104 PRESSAVG: 4845800 31.9732 18.7196 -3.64098 18.7197 31.227 -8.27462 -3.64105 -8.27461 -40.6212 GPRESSAVG: 4845800 31.6258 19.7092 -3.07293 16.8665 31.7358 -5.5715 -4.62349 -9.41125 -40.4045 TIMING: 4845800 CPU: 14576.9, 0.00304765/step Wall: 14576.9, 0.00304765/step, 0.130541 hours remaining, 208.234375 MB of memory in use. ENERGY: 4845800 761.5142 2172.3306 1946.8021 110.6837 -206256.9425 17831.9484 0.0000 0.0000 34130.5680 -149303.0955 298.0707 -183433.6635 -149209.2340 299.6965 -18.8700 9.7652 558122.6261 7.5264 7.6524 PRESSURE: 4846000 61.5126 33.9018 126.84 33.9025 -28.7752 19.643 126.84 19.6428 -32.4395 GPRESSURE: 4846000 90.3124 -3.25317 12.7248 43.6907 -23.4607 -59.7131 120.803 24.2225 11.1927 PRESSAVG: 4846000 -2.98475 17.0865 -24.0685 17.0865 -45.4637 -22.6004 -24.0685 -22.6003 4.42959 GPRESSAVG: 4846000 -2.04019 15.9879 -25.7 18.3774 -46.9021 -22.6829 -21.9181 -23.4178 4.77535 TIMING: 4846000 CPU: 14577.5, 0.0030511/step Wall: 14577.5, 0.0030511/step, 0.130519 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: 4846000 752.3209 2092.6901 1939.8919 106.6311 -206277.1750 17877.2308 0.0000 0.0000 34271.6678 -149236.7425 299.3030 -183508.4103 -149142.0082 299.0420 0.0993 26.0148 556001.5205 -14.6729 -14.7223 PRESSURE: 4846200 -260.136 -150.434 -213.091 -150.435 136.132 -29.7241 -213.091 -29.7246 50.4588 GPRESSURE: 4846200 -245.154 -216.974 -223.599 -98.7368 178.065 -81.8013 -202.087 -44.5507 91.131 PRESSAVG: 4846200 -86.0134 12.0348 34.3748 12.0348 51.8345 9.01092 34.3749 9.01092 2.05161 GPRESSAVG: 4846200 -86.4535 14.2521 35.1912 11.9173 51.0756 8.35811 32.7187 8.9434 3.23353 TIMING: 4846200 CPU: 14578.2, 0.00303623/step Wall: 14578.2, 0.00303623/step, 0.129714 hours remaining, 208.234375 MB of memory in use. ENERGY: 4846200 767.7358 2083.8392 1937.3535 109.1821 -206251.2525 17853.6667 0.0000 0.0000 34209.6181 -149289.8571 298.7611 -183499.4752 -149189.7459 299.1427 -24.5150 8.0140 556535.9778 -10.7091 -10.7148 PRESSURE: 4846400 -496.268 -30.5329 42.7883 -30.5332 -97.7864 81.937 42.7871 81.9375 17.1628 GPRESSURE: 4846400 -472.726 -62.936 71.7643 -57.8428 -41.0132 136.684 80.1639 52.2952 39.7838 PRESSAVG: 4846400 -34.0721 -89.6501 16.5926 -89.6501 12.4912 -26.5721 16.5926 -26.5721 22.536 GPRESSAVG: 4846400 -33.8179 -90.9242 17.4232 -88.7386 13.217 -26.8999 16.8296 -24.2965 20.7698 TIMING: 4846400 CPU: 14578.7, 0.00298703/step Wall: 14578.7, 0.00298703/step, 0.127447 hours remaining, 208.234375 MB of memory in use. ENERGY: 4846400 769.2527 2122.1108 1931.6072 105.4212 -206105.0399 17761.8630 0.0000 0.0000 34105.2734 -149309.5115 297.8498 -183414.7850 -149212.5940 299.3680 -192.2971 -157.9852 558455.5476 0.3184 0.0563 PRESSURE: 4846600 -23.3698 -74.7522 88.6955 -74.7514 158.649 151.901 88.6962 151.9 -292.002 GPRESSURE: 4846600 -32.9861 -12.539 -29.4525 -83.3855 157.257 59.6508 90.5532 151.737 -200.392 PRESSAVG: 4846600 -38.9755 -7.95877 -26.8152 -7.95882 36.4982 -21.4857 -26.8153 -21.4857 44.277 GPRESSAVG: 4846600 -39.1291 -7.02138 -26.6051 -10.1976 35.0988 -23.1067 -28.0392 -22.7939 45.3633 TIMING: 4846600 CPU: 14579.4, 0.0030078/step Wall: 14579.4, 0.0030078/step, 0.128166 hours remaining, 208.234375 MB of memory in use. ENERGY: 4846600 716.2742 2161.5771 1954.6526 127.8578 -205967.1183 17536.2777 0.0000 0.0000 34324.2986 -149146.1803 299.7626 -183470.4788 -149054.0474 299.1612 -52.2412 -25.3735 556316.1341 13.9332 13.7776 PRESSURE: 4846800 -226.155 -7.94987 15.4715 -7.95167 85.9809 93.9115 15.4707 93.909 15.1992 GPRESSURE: 4846800 -166.503 18.494 78.272 -21.1155 98.936 85.6641 -99.5563 134.271 43.6959 PRESSAVG: 4846800 -80.8964 -58.9213 -30.3744 -58.9213 -12.6258 -39.5803 -30.3745 -39.5803 49.9075 GPRESSAVG: 4846800 -80.7141 -59.2956 -29.6976 -58.159 -11.6298 -37.1799 -28.9078 -37.3657 48.6281 TIMING: 4846800 CPU: 14579.9, 0.00299605/step Wall: 14579.9, 0.00299605/step, 0.127499 hours remaining, 208.234375 MB of memory in use. ENERGY: 4846800 763.1933 2183.0956 1956.9454 119.4642 -206159.3731 17804.3019 0.0000 0.0000 34236.0004 -149096.3723 298.9915 -183332.3727 -148997.5605 299.6289 -41.6584 -7.9569 557119.7544 -14.5382 -14.5719 PRESSURE: 4847000 -132.328 -2.80081 -20.5643 -2.80204 -115.793 58.0626 -20.5652 58.0637 73.5684 GPRESSURE: 4847000 -122.765 -9.18342 21.0281 -43.9849 -39.7655 52.7425 20.9912 56.0262 89.1417 PRESSAVG: 4847000 -30.6425 -9.23588 -22.6632 -9.23587 -53.8048 12.0269 -22.6633 12.0267 42.6104 GPRESSAVG: 4847000 -31.0511 -9.5165 -21.5054 -9.19311 -54.2329 13.2742 -24.7733 11.6049 43.292 TIMING: 4847000 CPU: 14580.6, 0.00303061/step Wall: 14580.6, 0.00303061/step, 0.128801 hours remaining, 208.234375 MB of memory in use. ENERGY: 4847000 771.3973 2088.9056 1959.9465 122.6572 -206334.9993 17760.6213 0.0000 0.0000 34388.6645 -149242.8068 300.3248 -183631.4713 -149140.6499 299.5665 -58.1842 -24.4628 557396.0532 -13.9456 -13.9973 PRESSURE: 4847200 -52.0491 -154.659 -77.8658 -154.66 -130.528 133.992 -77.8658 133.991 479.905 GPRESSURE: 4847200 15.3277 -241.151 -31.1959 -85.1426 -103.537 98.573 -69.0703 174.722 472.655 PRESSAVG: 4847200 -61.0332 -49.4505 24.0083 -49.4505 -45.1138 2.92796 24.0082 2.92805 144.906 GPRESSAVG: 4847200 -61.1131 -46.8115 22.122 -50.9094 -44.1866 0.809404 25.4816 3.37598 144.39 TIMING: 4847200 CPU: 14581.2, 0.00305814/step Wall: 14581.2, 0.00305814/step, 0.129801 hours remaining, 208.316406 MB of memory in use. ENERGY: 4847200 705.7656 2122.8608 1956.4521 107.4715 -206155.0319 17849.9461 0.0000 0.0000 34336.4028 -149076.1331 299.8683 -183412.5360 -148975.4095 299.3988 99.1095 128.1484 556480.3591 12.9195 13.0300 PRESSURE: 4847400 2.91352 -10.8293 41.8277 -10.8286 32.643 82.6006 41.8286 82.6003 -20.4718 GPRESSURE: 4847400 21.2055 -80.8174 37.4282 28.0882 19.2337 87.0219 6.78326 33.6877 59.9397 PRESSAVG: 4847400 -53.9577 -96.0193 -3.60138 -96.0195 -7.76654 2.8163 -3.60136 2.81624 58.2037 GPRESSAVG: 4847400 -52.2531 -97.5972 -2.88897 -95.1719 -8.5437 2.10805 -4.75755 3.48501 57.4169 TIMING: 4847400 CPU: 14581.8, 0.00302008/step Wall: 14581.8, 0.00302008/step, 0.128018 hours remaining, 208.382812 MB of memory in use. ENERGY: 4847400 742.9919 2120.5616 1918.2075 123.4402 -206370.1188 17829.5944 0.0000 0.0000 34523.0414 -149112.2818 301.4983 -183635.3232 -149007.6204 300.0147 5.0282 33.4596 556085.9177 -1.1735 -1.1266 PRESSURE: 4847600 -213.55 -192.053 127.737 -192.052 -294.507 104.82 127.738 104.821 99.17 GPRESSURE: 4847600 -175.701 -176.093 78.3073 -254.191 -220.868 112.716 122.684 109.173 79.8834 PRESSAVG: 4847600 -8.4317 -9.29108 -6.64848 -9.29109 31.8 16.5893 -6.64848 16.5893 -12.0382 GPRESSAVG: 4847600 -9.53784 -9.22763 -6.08611 -8.42946 33.1976 16.4952 -7.5596 13.5674 -12.7703 TIMING: 4847600 CPU: 14582.4, 0.00303141/step Wall: 14582.4, 0.00303141/step, 0.12833 hours remaining, 208.382812 MB of memory in use. ENERGY: 4847600 744.8093 2090.0861 1940.4256 122.4819 -205971.6850 17691.0626 0.0000 0.0000 34094.0704 -149288.7490 297.7520 -183382.8194 -149187.8578 299.4859 -136.2956 -105.5619 558608.2243 3.7767 3.6298 PRESSURE: 4847800 -135.631 -207.827 75.7347 -207.826 162.512 68.2299 75.7334 68.2285 -74.2474 GPRESSURE: 4847800 -143.386 -208.485 22.0958 -204.324 160.489 1.75396 58.6131 49.9602 38.4819 PRESSAVG: 4847800 37.2486 -40.5256 45.2285 -40.5254 -53.1317 58.0902 45.2285 58.0902 34.2059 GPRESSAVG: 4847800 36.7402 -40.6421 42.2558 -41.2274 -54.4216 58.6324 47.2258 59.4507 35.7586 TIMING: 4847800 CPU: 14583, 0.00304786/step Wall: 14583, 0.00304786/step, 0.128857 hours remaining, 208.382812 MB of memory in use. ENERGY: 4847800 749.6644 2087.2635 1936.1748 110.3881 -206000.9517 17800.2566 0.0000 0.0000 34139.2793 -149177.9249 298.1468 -183317.2042 -149086.1075 298.9652 -15.7889 18.5285 559224.1881 6.1076 6.0257 PRESSURE: 4848000 62.5153 -78.552 145.838 -78.553 202.78 -96.9764 145.837 -96.9761 -235.551 GPRESSURE: 4848000 104.553 -53.2538 153.54 -43.4808 248.479 -107.196 149.959 -16.2113 -225.595 PRESSAVG: 4848000 -29.2647 -22.1376 47.0312 -22.1376 -22.984 14.8805 47.0311 14.8804 60.8179 GPRESSAVG: 4848000 -28.8006 -22.2003 46.4914 -20.9786 -23.7732 15.4776 49.0116 13.6433 61.128 TIMING: 4848000 CPU: 14583.6, 0.00300732/step Wall: 14583.6, 0.00300732/step, 0.126976 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: 4848000 717.6600 2062.9147 1934.3447 115.2929 -206272.5004 17845.6087 0.0000 0.0000 34291.1416 -149305.5378 299.4731 -183596.6794 -149208.8171 298.9364 9.9148 42.4790 558171.5669 2.8564 2.8514 PRESSURE: 4848200 -221.322 33.6604 -138.472 33.6602 -87.1005 53.701 -138.472 53.6993 27.2774 GPRESSURE: 4848200 -216.638 110.545 -145.455 -13.6287 -22.595 -53.2815 -151.291 111.718 46.1128 PRESSAVG: 4848200 -3.94551 36.0378 89.6137 36.0378 -21.7494 -18.3397 89.6137 -18.3396 21.4152 GPRESSAVG: 4848200 -4.65009 35.8376 91.2974 35.9202 -21.2693 -17.8647 86.0549 -18.1757 21.1064 TIMING: 4848200 CPU: 14584.2, 0.00304593/step Wall: 14584.2, 0.00304593/step, 0.128437 hours remaining, 208.382812 MB of memory in use. ENERGY: 4848200 695.6416 2142.5634 1951.7787 117.7796 -206177.0334 17798.8782 0.0000 0.0000 34123.2174 -149347.1746 298.0065 -183470.3919 -149253.4916 298.7378 -93.7150 -64.3734 558444.6797 -1.4266 -1.6043 LDB: ============= START OF LOAD BALANCING ============== 14587.6 LDB: ============== END OF LOAD BALANCING =============== 14587.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14587.6 LDB: ============= START OF LOAD BALANCING ============== 14587.9 LDB: Largest compute 4820 load 0.028881 is 24.4% of average load 0.118221 LDB: Average compute 0.001723 is 1.5% of average load 0.118221 LDB: TIME 14587.9 LOAD: AVG 0.118221 MAX 0.217091 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 14587.9 LOAD: AVG 0.118221 MAX 0.217091 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: TIME 14587.9 LOAD: AVG 0.118221 MAX 0.217091 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14587.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14587.9 PRESSURE: 4848400 -136.608 -2.9565 20.4262 -2.95607 -132.547 55.6182 20.4258 55.6158 -99.3938 GPRESSURE: 4848400 -105.876 -20.2083 -16.3292 0.159278 -140.133 -38.5329 28.9213 67.4385 -27.1686 PRESSAVG: 4848400 18.1055 37.3861 33.2665 37.3862 16.9112 34.9751 33.2663 34.9751 -37.3565 GPRESSAVG: 4848400 19.0961 36.4517 35.7141 37.3864 16.1012 33.6838 33.2974 36.5243 -37.6744 TIMING: 4848400 CPU: 14584.8, 0.00308697/step Wall: 14584.8, 0.00308697/step, 0.129996 hours remaining, 207.789062 MB of memory in use. ENERGY: 4848400 723.4220 2126.8832 1927.4300 112.6761 -205978.4879 17589.9915 0.0000 0.0000 34207.1894 -149290.8956 298.7399 -183498.0851 -149184.8960 298.6217 -122.8495 -91.0589 558680.8396 -0.7799 -0.8257 PRESSURE: 4848600 -362.676 -17.7139 -16.2502 -17.7135 -98.4813 143.581 -16.2503 143.581 224.555 GPRESSURE: 4848600 -306.468 41.8329 -48.9714 -73.3248 -94.0891 147.229 -32.045 79.7073 269.434 PRESSAVG: 4848600 79.0217 -0.407838 16.0023 -0.40774 46.0061 -15.3309 16.0022 -15.3308 -96.1187 GPRESSAVG: 4848600 79.4162 0.440462 13.9178 -1.31565 45.8601 -12.2071 15.5451 -19.4117 -96.311 TIMING: 4848600 CPU: 14585.4, 0.00304928/step Wall: 14585.4, 0.00304928/step, 0.128239 hours remaining, 207.789062 MB of memory in use. ENERGY: 4848600 742.0144 2044.5512 1940.4159 100.5852 -206126.8308 17795.1225 0.0000 0.0000 34232.2238 -149271.9177 298.9585 -183504.1415 -149182.0736 299.0755 -78.8676 -43.7076 558964.4206 9.6364 9.6551 PRESSURE: 4848800 62.0892 60.7956 199.711 60.7965 32.6461 35.4041 199.711 35.4039 177.299 GPRESSURE: 4848800 90.666 120.839 176.954 54.4547 88.4909 -61.7102 272.401 63.2305 189.527 PRESSAVG: 4848800 8.2518 50.5618 22.7926 50.5617 -7.90213 43.4031 22.7924 43.4031 -52.6221 GPRESSAVG: 4848800 7.37988 50.2007 23.7466 50.7437 -7.03855 40.1128 23.8893 46.0992 -51.9205 TIMING: 4848800 CPU: 14586, 0.00305571/step Wall: 14586, 0.00305571/step, 0.12834 hours remaining, 207.789062 MB of memory in use. ENERGY: 4848800 722.7516 2060.1082 1951.8745 116.3246 -206144.6820 17882.1253 0.0000 0.0000 34223.5859 -149187.9119 298.8831 -183411.4978 -149088.0080 299.1197 90.6780 122.8947 557628.8613 -17.4242 -17.1931 PRESSURE: 4849000 -171.55 -83.8851 96.2602 -83.8857 -110.637 91.97 96.2579 91.9686 -195.891 GPRESSURE: 4849000 -179.726 -58.3033 62.6452 -62.2043 -37.5963 48.9387 134.665 48.6234 -163.665 PRESSAVG: 4849000 31.1947 -16.2161 30.8234 -16.2162 -23.4045 -1.97338 30.8233 -1.97334 -10.4224 GPRESSAVG: 4849000 31.3676 -15.1953 31.2045 -14.7667 -24.255 -2.7195 30.8239 -1.96483 -9.77367 TIMING: 4849000 CPU: 14586.7, 0.0030697/step Wall: 14586.7, 0.0030697/step, 0.128757 hours remaining, 207.789062 MB of memory in use. ENERGY: 4849000 767.4087 2097.3352 1959.1831 138.1715 -205987.8639 17726.2977 0.0000 0.0000 34045.5765 -149253.8912 297.3285 -183299.4677 -149150.5951 298.5630 -159.3592 -126.9960 559795.1100 -0.8774 -0.8870 PRESSURE: 4849200 18.5361 25.057 -183.709 25.0576 -33.2146 -161.792 -183.709 -161.792 91.5184 GPRESSURE: 4849200 61.6823 -53.7374 -200.109 49.8439 -4.04543 -173.169 -93.2827 -151.673 110.828 PRESSAVG: 4849200 62.5179 18.9901 -40.6516 18.9902 -103.685 -6.2456 -40.6517 -6.24553 34.0278 GPRESSAVG: 4849200 63.0186 15.7971 -39.8096 18.9764 -102.755 -6.06944 -41.1405 -3.90804 32.6582 TIMING: 4849200 CPU: 14587.3, 0.0030618/step Wall: 14587.3, 0.0030618/step, 0.128255 hours remaining, 207.789062 MB of memory in use. ENERGY: 4849200 749.9955 2038.4104 1944.2346 109.5601 -206280.9746 17978.1416 0.0000 0.0000 34241.2105 -149219.4219 299.0370 -183460.6324 -149124.4804 298.7884 25.6133 56.1550 559681.1908 -2.3798 -2.3592 PRESSURE: 4849400 117.926 -94.9426 -67.8336 -94.9432 -2.70781 167.547 -67.8339 167.546 75.0165 GPRESSURE: 4849400 102.391 -151.969 -108.692 -13.2583 -24.6549 208.053 -89.8665 173.522 199.316 PRESSAVG: 4849400 33.5694 12.8877 -38.3087 12.8877 -53.9691 -16.031 -38.3086 -16.0309 -23.0721 GPRESSAVG: 4849400 32.3902 14.9954 -37.1992 12.2713 -54.8306 -15.7653 -40.3417 -15.2886 -21.1387 TIMING: 4849400 CPU: 14587.9, 0.00305268/step Wall: 14587.9, 0.00305268/step, 0.127704 hours remaining, 207.789062 MB of memory in use. ENERGY: 4849400 713.9694 2123.3665 1957.4037 126.9280 -206283.1739 17850.6840 0.0000 0.0000 34194.5001 -149316.3221 298.6291 -183510.8222 -149224.4036 298.9438 63.4117 92.3507 556446.5223 -14.4906 -14.5264 PRESSURE: 4849600 31.8209 20.9701 -32.2754 20.9692 77.8644 214.414 -32.2744 214.416 198.227 GPRESSURE: 4849600 21.6826 21.2053 8.01782 35.3219 134.336 80.0519 -48.0194 235.929 241.013 PRESSAVG: 4849600 -39.2478 40.692 3.14303 40.6919 7.52183 53.4236 3.14296 53.4235 13.7313 GPRESSAVG: 4849600 -37.8606 39.9245 1.27312 40.4945 7.35605 55.1408 3.4724 50.7792 13.0292 TIMING: 4849600 CPU: 14588.5, 0.00307709/step Wall: 14588.5, 0.00307709/step, 0.128554 hours remaining, 207.789062 MB of memory in use. ENERGY: 4849600 745.2858 2060.8710 1957.4321 103.7808 -206535.2184 18095.1739 0.0000 0.0000 34350.8450 -149221.8299 299.9945 -183572.6748 -149122.9189 299.0407 102.6373 132.3436 556274.8779 -5.9982 -5.8251 PRESSURE: 4849800 -241.002 -42.6022 109.104 -42.6026 -225.578 2.95346 109.104 2.95373 25.2209 GPRESSURE: 4849800 -233.595 21.9967 169.507 -69.8713 -192.68 -4.95917 18.8776 -75.6394 84.8608 PRESSAVG: 4849800 -10.6563 -66.8811 -1.44756 -66.8811 35.9971 35.469 -1.44757 35.4691 -36.6325 GPRESSAVG: 4849800 -10.6083 -65.7542 -3.14779 -66.9393 36.4137 34.9577 1.23346 35.0463 -36.7149 TIMING: 4849800 CPU: 14589.1, 0.00304357/step Wall: 14589.1, 0.00304357/step, 0.126985 hours remaining, 207.789062 MB of memory in use. ENERGY: 4849800 765.8362 2003.1184 1957.8684 116.9034 -206044.8790 17752.0061 0.0000 0.0000 34223.9180 -149225.2286 298.8860 -183449.1466 -149129.2065 299.3614 -147.1197 -113.8048 558589.7497 -3.7639 -3.6365 PRESSURE: 4850000 25.9683 -48.7951 -60.782 -48.7955 17.2237 -32.9931 -60.7821 -32.9915 -94.3566 GPRESSURE: 4850000 41.0396 -52.7249 -77.0789 -24.3673 58.2775 36.6632 -123.167 -45.3985 -57.0469 PRESSAVG: 4850000 -9.84749 -14.7638 -19.9202 -14.7639 44.2907 -0.244194 -19.9201 -0.244137 -23.0727 GPRESSAVG: 4850000 -9.52981 -16.3188 -17.099 -13.7559 42.9516 0.676942 -20.463 0.975632 -21.9756 TIMING: 4850000 CPU: 14589.7, 0.0030797/step Wall: 14589.7, 0.0030797/step, 0.128321 hours remaining, 207.789062 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: 4850000 764.3478 2095.6970 1966.2773 117.5224 -206464.6647 17961.0303 0.0000 0.0000 34300.2334 -149259.5565 299.5525 -183559.7900 -149162.9158 298.7673 -17.0549 14.0901 558755.1050 3.7902 3.8154 PRESSURE: 4850200 -31.808 12.1782 119.244 12.1789 -171.676 36.9987 119.246 36.9984 -158.723 GPRESSURE: 4850200 24.7822 -73.8341 91.3024 26.207 -202.427 18.255 105.897 0.586183 -88.4714 PRESSAVG: 4850200 39.2251 -36.3418 2.3342 -36.3418 -32.7266 58.8 2.33428 58.8 17.128 GPRESSAVG: 4850200 39.3483 -34.2934 0.826632 -40.6055 -32.055 57.349 0.817434 58.7527 16.7031 TIMING: 4850200 CPU: 14590.3, 0.00307235/step Wall: 14590.3, 0.00307235/step, 0.127844 hours remaining, 207.789062 MB of memory in use. ENERGY: 4850200 729.3328 2092.8312 1925.9900 118.7879 -206170.3398 17671.8400 0.0000 0.0000 34346.9971 -149284.5609 299.9609 -183631.5579 -149181.8903 299.6990 -120.7357 -88.7054 559570.5367 7.8755 7.9988 PRESSURE: 4850400 -85.9038 88.2413 -35.0943 88.2421 -16.4894 127.991 -35.0948 127.992 19.2334 GPRESSURE: 4850400 -43.9879 138.651 -43.5919 32.6046 67.7579 103.286 -86.9155 92.434 -9.43506 PRESSAVG: 4850400 59.8847 -75.1839 10.7336 -75.1839 -44.5907 88.5686 10.7336 88.5685 29.553 GPRESSAVG: 4850400 58.2472 -75.5962 11.7481 -71.6939 -43.9571 88.6209 11.5357 89.7312 30.3016 TIMING: 4850400 CPU: 14590.9, 0.00306623/step Wall: 14590.9, 0.00306623/step, 0.127419 hours remaining, 207.789062 MB of memory in use. ENERGY: 4850400 762.8035 2055.9167 1932.4698 106.0790 -205952.5386 17737.1791 0.0000 0.0000 34228.5932 -149129.4971 298.9268 -183358.0903 -149026.6440 299.7135 -27.7199 4.7783 558353.0398 14.9490 14.8639 PRESSURE: 4850600 13.3832 25.6783 103.113 25.6757 51.792 -182.459 103.113 -182.46 32.9127 GPRESSURE: 4850600 27.8487 5.17442 62.1686 22.2317 82.3255 -154.225 90.1265 -222.136 82.3111 PRESSAVG: 4850600 34.0684 -12.4711 35.7809 -12.4711 -10.4314 11.7844 35.7808 11.7843 -24.6844 GPRESSAVG: 4850600 34.9624 -12.8122 37.1861 -13.0571 -10.0376 12.9128 34.4573 10.4189 -25.7454 TIMING: 4850600 CPU: 14591.6, 0.00309658/step Wall: 14591.6, 0.00309658/step, 0.128508 hours remaining, 207.789062 MB of memory in use. ENERGY: 4850600 701.8401 2115.6722 1948.6040 119.1238 -206152.7767 17833.3908 0.0000 0.0000 34326.9406 -149107.2052 299.7857 -183434.1458 -149010.3732 299.7742 32.6960 64.1618 558327.1253 -0.3491 -0.2735 PRESSURE: 4850800 -212.975 -119.242 113.664 -119.24 -372.213 105.311 113.665 105.309 -38.4388 GPRESSURE: 4850800 -160.028 -123.926 157.205 -132.676 -334.601 105.168 84.3895 86.118 -31.159 PRESSAVG: 4850800 21.4268 46.9581 -2.23014 46.9581 8.93732 17.8197 -2.23013 17.8197 12.2725 GPRESSAVG: 4850800 20.5915 47.6568 -4.73732 47.5873 9.07056 17.6429 0.321024 18.7458 13.3094 TIMING: 4850800 CPU: 14592.2, 0.00310263/step Wall: 14592.2, 0.00310263/step, 0.128587 hours remaining, 207.789062 MB of memory in use. ENERGY: 4850800 744.5452 2064.9688 1974.3590 112.3054 -206180.7869 17700.4933 0.0000 0.0000 34301.6446 -149282.4706 299.5648 -183584.1152 -149182.4817 299.8033 -207.8757 -175.2627 559424.6350 14.2122 14.3238 PRESSURE: 4851000 -167.87 114.928 52.9718 114.929 -109.396 156.755 52.9709 156.756 42.8086 GPRESSURE: 4851000 -106.593 106.531 118.323 100.261 -138.592 222.165 42.9832 112.539 101.381 PRESSAVG: 4851000 -0.204804 -0.661596 -1.18932 -0.661638 -52.6119 -27.0517 -1.18938 -27.0516 42.5872 GPRESSAVG: 4851000 -0.339387 -1.08031 -0.357246 -1.84054 -53.3444 -27.2288 -0.0626394 -28.8027 43.3085 TIMING: 4851000 CPU: 14592.8, 0.00308393/step Wall: 14592.8, 0.00308393/step, 0.127641 hours remaining, 207.789062 MB of memory in use. ENERGY: 4851000 751.9728 2110.7228 1937.6101 112.7677 -205989.6947 17674.8330 0.0000 0.0000 34256.6679 -149145.1204 299.1720 -183401.7882 -149052.5694 299.8674 -78.1524 -47.9346 557393.9240 -3.4098 -3.4584 PRESSURE: 4851200 65.6007 106.548 14.1547 106.549 -206.78 -157.864 14.1548 -157.866 -133.56 GPRESSURE: 4851200 107.379 120.104 -111.434 69.7107 -150.581 -117.661 23.2762 -139.911 -134.434 PRESSAVG: 4851200 -43.3614 9.25958 42.0578 9.25956 39.7311 -17.9988 42.0577 -17.9988 -34.1008 GPRESSAVG: 4851200 -42.9339 9.40172 44.1782 8.29036 40.003 -15.9994 39.6861 -18.7252 -34.3828 TIMING: 4851200 CPU: 14593.4, 0.00305971/step Wall: 14593.4, 0.00305971/step, 0.126468 hours remaining, 207.789062 MB of memory in use. ENERGY: 4851200 722.3818 2114.8134 1968.2677 111.6541 -206057.1924 17752.5644 0.0000 0.0000 34283.3282 -149104.1829 299.4048 -183387.5111 -149011.0687 299.4189 -91.5798 -59.2118 558791.6878 -12.5770 -12.4379 PRESSURE: 4851400 -46.769 114.964 110.666 114.964 18.703 -162.158 110.667 -162.159 -179.736 GPRESSURE: 4851400 19.7747 26.7695 85.9391 153.673 54.515 -95.6536 91.6218 -209.536 -165.859 PRESSAVG: 4851400 9.67096 -21.1536 39.0453 -21.1537 15.3635 -85.407 39.0452 -85.407 -42.8352 GPRESSAVG: 4851400 8.90807 -20.3653 38.0165 -20.6385 15.7453 -86.5145 40.2608 -83.2031 -42.7758 TIMING: 4851400 CPU: 14594, 0.00303385/step Wall: 14594, 0.00303385/step, 0.12523 hours remaining, 207.992188 MB of memory in use. ENERGY: 4851400 730.1184 2064.4734 1992.0444 119.6456 -206020.8175 17643.9267 0.0000 0.0000 34318.4229 -149152.1862 299.7113 -183470.6091 -149052.5032 299.2432 -69.2675 -30.5230 557375.6836 -5.9336 -6.0408 PRESSURE: 4851600 -5.02112 20.8219 -88.7727 20.8233 -119.301 62.1363 -88.773 62.1381 240.998 GPRESSURE: 4851600 38.413 -10.1619 -71.9377 7.987 -93.9791 82.7236 -77.3028 80.3631 266.306 PRESSAVG: 4851600 -31.9645 -29.5352 11.376 -29.5352 2.47667 -19.029 11.3761 -19.029 0.403379 GPRESSAVG: 4851600 -31.5026 -28.666 9.92712 -29.4778 2.28117 -20.7381 11.4184 -19.0499 -0.481947 TIMING: 4851600 CPU: 14594.6, 0.00304764/step Wall: 14594.6, 0.00304764/step, 0.125631 hours remaining, 207.992188 MB of memory in use. ENERGY: 4851600 710.8785 2053.2186 1955.3675 109.8042 -205994.2239 17752.2412 0.0000 0.0000 34199.1899 -149213.5239 298.6700 -183412.7138 -149121.2919 299.4268 38.8919 70.2467 556725.9013 -9.6948 -9.9011 PRESSURE: 4851800 -137.86 17.5243 51.6414 17.5247 231.77 19.8028 51.6419 19.8033 61.6056 GPRESSURE: 4851800 -91.0006 61.6861 42.7386 -62.8094 298.558 80.0303 88.6545 -50.4692 37.5555 PRESSAVG: 4851800 24.9295 -0.0504515 15.1276 -0.0504296 -52.6361 -13.34 15.1276 -13.34 27.1721 GPRESSAVG: 4851800 24.8063 -0.991645 14.2272 0.149068 -52.7662 -12.6517 13.4986 -12.3439 27.045 TIMING: 4851800 CPU: 14595.2, 0.00304297/step Wall: 14595.2, 0.00304297/step, 0.125269 hours remaining, 207.992188 MB of memory in use. ENERGY: 4851800 704.2217 2062.8137 1958.0878 121.2249 -206342.1379 17881.2503 0.0000 0.0000 34404.6260 -149209.9135 300.4642 -183614.5395 -149117.4334 298.9026 51.8386 81.7043 557205.6340 -0.1782 -0.3050 PRESSURE: 4852000 10.3252 5.49201 -167.731 5.49289 127.637 -134.742 -167.732 -134.744 -49.9133 GPRESSURE: 4852000 38.9618 -41.4283 -136.653 46.8696 140.339 -64.5241 -201.517 -168.144 4.10396 PRESSAVG: 4852000 -4.1084 10.4045 19.5443 10.4046 15.4097 -23.8098 19.5444 -23.8098 -39.057 GPRESSAVG: 4852000 -3.37315 10.7031 19.9732 12.1467 14.7891 -24.5447 19.0762 -23.39 -38.5806 TIMING: 4852000 CPU: 14595.8, 0.00304128/step Wall: 14595.8, 0.00304128/step, 0.12503 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: 4852000 733.7411 2084.0945 1937.0219 102.7157 -206332.0405 17868.4530 0.0000 0.0000 34305.3983 -149300.6159 299.5976 -183606.0143 -149201.0589 299.2713 29.3496 61.1348 558123.6619 -9.2519 -9.0549 PRESSURE: 4852200 -36.7786 -48.3185 -46.3955 -48.3185 -107.969 -183.17 -46.3955 -183.17 -37.5859 GPRESSURE: 4852200 -8.38626 -2.66611 -74.7219 -69.7382 -107.356 -135.257 -17.8127 -144.234 21.6349 PRESSAVG: 4852200 78.5163 38.8296 32.0366 38.8297 -38.4416 -32.2408 32.0365 -32.241 6.65206 GPRESSAVG: 4852200 77.8651 37.9466 30.4834 38.9011 -37.3454 -33.6691 33.6179 -32.0732 6.15083 TIMING: 4852200 CPU: 14596.5, 0.0030475/step Wall: 14596.5, 0.0030475/step, 0.125117 hours remaining, 207.992188 MB of memory in use. ENERGY: 4852200 743.5474 2047.3700 1923.3742 119.2913 -206343.8893 17853.7310 0.0000 0.0000 34412.7685 -149243.8069 300.5353 -183656.5754 -149148.4060 298.9582 -60.7779 -31.3691 558565.5873 15.5756 15.5568 LDB: ============= START OF LOAD BALANCING ============== 14599.9 LDB: ============== END OF LOAD BALANCING =============== 14599.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14599.9 LDB: ============= START OF LOAD BALANCING ============== 14600.2 LDB: Largest compute 4820 load 0.026974 is 22.8% of average load 0.118199 LDB: Average compute 0.001721 is 1.5% of average load 0.118199 LDB: TIME 14600.2 LOAD: AVG 0.118199 MAX 0.21786 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.52 MB LDB: TIME 14600.2 LOAD: AVG 0.118199 MAX 0.21786 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.52 MB LDB: TIME 14600.2 LOAD: AVG 0.118199 MAX 0.21786 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.52 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14600.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14600.2 PRESSURE: 4852400 -121.937 37.0866 64.9696 37.0871 181.617 65.8511 64.9711 65.852 97.7057 GPRESSURE: 4852400 -70.3272 1.13079 85.4004 55.4681 178.544 147.332 17.5462 15.9107 150.197 PRESSAVG: 4852400 -5.64297 10.0032 20.3463 10.0032 50.9556 -73.2463 20.3462 -73.2463 -63.7283 GPRESSAVG: 4852400 -5.21133 11.6 21.0104 7.43929 51.1739 -70.4088 19.1386 -74.1373 -63.6501 TIMING: 4852400 CPU: 14597.1, 0.00310746/step Wall: 14597.1, 0.00310746/step, 0.127406 hours remaining, 208.808594 MB of memory in use. ENERGY: 4852400 680.8173 2090.7274 1958.3154 114.8939 -206100.9380 17610.3361 0.0000 0.0000 34342.1735 -149303.6744 299.9187 -183645.8479 -149207.2117 299.1410 52.4617 86.1379 556940.5887 -6.1385 -5.8959 PRESSURE: 4852600 126.862 -33.4746 -41.1088 -33.4749 70.4313 26.083 -41.1088 26.0817 25.3417 GPRESSURE: 4852600 161.77 -62.1989 -33.9363 -4.68711 121.15 -51.9345 1.37487 99.9983 25.9916 PRESSAVG: 4852600 44.5004 -11.1535 44.1461 -11.1536 6.258 -40.8943 44.1461 -40.8942 -20.0154 GPRESSAVG: 4852600 44.6434 -12.1155 47.271 -10.3373 6.63688 -42.4385 44.1755 -41.7597 -20.5047 TIMING: 4852600 CPU: 14597.7, 0.00305413/step Wall: 14597.7, 0.00305413/step, 0.12505 hours remaining, 208.808594 MB of memory in use. ENERGY: 4852600 731.3705 2113.9710 1938.8201 106.2023 -205913.2972 17557.7088 0.0000 0.0000 34213.2064 -149252.0181 298.7924 -183465.2245 -149156.7032 299.2865 74.2117 102.9705 556200.2491 10.2477 10.2585 PRESSURE: 4852800 -80.1624 -49.0483 9.48215 -49.0493 110.446 30.9172 9.48223 30.9152 -314.518 GPRESSURE: 4852800 -51.2628 -48.0881 -48.9235 -166.778 130.818 62.8564 -42.7101 -52.0322 -277.208 PRESSAVG: 4852800 -24.4892 -33.3997 -28.7466 -33.3997 42.4093 9.55238 -28.7464 9.55241 -36.6546 GPRESSAVG: 4852800 -24.6751 -34.1472 -28.913 -34.2196 41.8218 9.30308 -29.2956 9.45064 -36.551 TIMING: 4852800 CPU: 14598.3, 0.00302866/step Wall: 14598.3, 0.00302866/step, 0.123839 hours remaining, 208.808594 MB of memory in use. ENERGY: 4852800 761.0726 2088.6770 1963.8556 114.3702 -206218.9294 17703.1271 0.0000 0.0000 34415.3660 -149172.4609 300.5580 -183587.8269 -149070.7109 299.5815 -94.7445 -65.8843 556711.4064 -6.2448 -6.4681 PRESSURE: 4853000 17.0793 -57.7555 -0.390951 -57.7541 -299.631 144.967 -0.390255 144.969 -229.002 GPRESSURE: 4853000 50.6166 -70.7599 13.7071 -70.4037 -273.989 24.2733 -32.0099 160.801 -195.977 PRESSAVG: 4853000 37.9421 29.3143 -14.1585 29.3143 -53.9874 19.9349 -14.1585 19.9348 51.8215 GPRESSAVG: 4853000 38.8304 29.0602 -16.787 30.8789 -54.9349 18.7112 -14.3041 21.3888 52.0504 TIMING: 4853000 CPU: 14598.9, 0.00304326/step Wall: 14598.9, 0.00304326/step, 0.124266 hours remaining, 208.808594 MB of memory in use. ENERGY: 4853000 723.3165 2079.8454 1945.7669 120.0444 -205874.6632 17506.3820 0.0000 0.0000 34365.5480 -149133.7600 300.1229 -183499.3080 -149030.7088 299.7228 -170.5180 -139.7831 558446.8625 11.9254 11.9820 PRESSURE: 4853200 99.6392 13.0243 -77.7401 13.0245 113.266 -51.2728 -77.7405 -51.2721 112.861 GPRESSURE: 4853200 154.731 44.0039 -19.8902 -19.7556 127.187 27.4492 -127.556 -114.367 141.59 PRESSAVG: 4853200 -3.77327 44.128 54.0693 44.1281 10.0805 -1.52875 54.0694 -1.52864 -21.9341 GPRESSAVG: 4853200 -3.2701 43.9657 57.1162 43.4849 10.5063 1.2458 54.5395 -0.82787 -22.6127 TIMING: 4853200 CPU: 14599.5, 0.00303509/step Wall: 14599.5, 0.00303509/step, 0.123764 hours remaining, 208.808594 MB of memory in use. ENERGY: 4853200 747.0247 2087.7313 1939.4136 114.9668 -206392.0015 17999.9479 0.0000 0.0000 34373.0478 -149129.8694 300.1884 -183502.9172 -149027.7431 299.4761 108.5886 141.1693 556954.1263 -5.2089 -5.1255 PRESSURE: 4853400 -152.664 177.916 -365.326 177.917 204.608 60.6956 -365.327 60.6955 97.5208 GPRESSURE: 4853400 -58.4483 171.491 -394.26 133.604 228.823 46.2697 -250.474 83.3353 79.9094 PRESSAVG: 4853400 9.22526 27.2361 -59.5139 27.2361 3.46206 -50.3018 -59.5139 -50.3018 -18.8916 GPRESSAVG: 4853400 8.35805 27.3633 -62.3175 26.9884 3.47996 -51.3327 -60.5057 -51.282 -18.3688 TIMING: 4853400 CPU: 14600.1, 0.00303555/step Wall: 14600.1, 0.00303555/step, 0.123614 hours remaining, 208.808594 MB of memory in use. ENERGY: 4853400 768.4550 2101.0813 1962.0816 97.8663 -206517.5284 17949.2025 0.0000 0.0000 34467.6911 -149171.1506 301.0149 -183638.8417 -149079.3481 300.2117 49.8215 83.4281 556463.5331 -2.0681 -2.1769 PRESSURE: 4853600 415.056 12.3759 97.0549 12.3769 -134.926 -16.3477 97.0552 -16.3491 25.1542 GPRESSURE: 4853600 438.413 53.5719 201.964 28.4818 -130.439 -76.2719 41.1718 -22.2908 99.7778 PRESSAVG: 4853600 49.2036 25.1427 11.9904 25.1427 20.8333 -36.7859 11.9904 -36.7859 -48.6712 GPRESSAVG: 4853600 49.7824 25.1178 12.0692 26.7693 20.3594 -37.0285 12.2718 -37.5578 -49.0562 TIMING: 4853600 CPU: 14600.7, 0.00303879/step Wall: 14600.7, 0.00303879/step, 0.123577 hours remaining, 208.808594 MB of memory in use. ENERGY: 4853600 745.5708 2075.9799 1960.8215 116.8346 -206407.3794 18075.2624 0.0000 0.0000 34301.1385 -149131.7717 299.5604 -183432.9102 -149029.6692 299.6861 101.7614 135.9173 558835.2073 7.1219 7.0285 PRESSURE: 4853800 168.958 36.0592 -62.7553 36.058 26.8756 -113.459 -62.7567 -113.461 184.398 GPRESSURE: 4853800 179.869 -2.52798 -80.111 127.896 94.4374 -102.983 -6.4065 -87.8175 212.999 PRESSAVG: 4853800 58.3363 21.4503 58.0883 21.4502 -23.6197 -8.22598 58.0883 -8.22605 -13.2711 GPRESSAVG: 4853800 58.3888 21.6806 58.6362 21.1159 -23.2752 -8.34971 59.158 -7.64173 -13.6075 TIMING: 4853800 CPU: 14601.3, 0.00305801/step Wall: 14601.3, 0.00305801/step, 0.124189 hours remaining, 208.808594 MB of memory in use. ENERGY: 4853800 729.5554 2162.3263 1967.6170 105.5778 -206347.8928 18073.5493 0.0000 0.0000 34105.5369 -149203.7300 297.8521 -183309.2669 -149107.3549 298.9042 126.7441 162.4350 556759.9707 7.1485 7.1687 PRESSURE: 4854000 -28.8614 72.778 -91.8735 72.7782 -16.0381 0.357109 -91.873 0.357344 98.5127 GPRESSURE: 4854000 10.9471 83.679 -12.9342 233.902 60.084 10.4727 -155.686 -68.8179 80.6631 PRESSAVG: 4854000 21.7334 23.7001 -20.4381 23.7 -58.2897 -41.6465 -20.438 -41.6464 30.1567 GPRESSAVG: 4854000 19.9799 24.4128 -19.5273 22.4462 -57.5749 -41.4578 -24.2428 -42.5453 31.0337 TIMING: 4854000 CPU: 14601.9, 0.00305258/step Wall: 14601.9, 0.00305258/step, 0.123799 hours remaining, 208.808594 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: 4854000 815.6644 2074.2582 1975.3855 119.5633 -206010.0635 17733.4995 0.0000 0.0000 34033.0998 -149258.5928 297.2195 -183291.6925 -149162.4882 299.4932 17.8711 50.5647 556363.9267 -2.1332 -2.1871 PRESSURE: 4854200 -73.9871 61.7299 104.965 61.7299 -107.765 -186.953 104.965 -186.953 -114.433 GPRESSURE: 4854200 -53.7062 82.9644 103.13 80.0389 -70.8101 -191.823 160.623 -143.235 -75.9363 PRESSAVG: 4854200 -45.25 -0.875386 -1.7798 -0.875324 23.8114 -57.4064 -1.77974 -57.4064 44.5268 GPRESSAVG: 4854200 -44.0034 -3.30345 -3.31202 -0.0551002 23.5774 -57.7851 3.12664 -55.9985 43.3292 TIMING: 4854200 CPU: 14602.6, 0.00303525/step Wall: 14602.6, 0.00303525/step, 0.122927 hours remaining, 208.808594 MB of memory in use. ENERGY: 4854200 773.5918 2049.0195 1955.1168 115.7952 -206174.5945 17644.0626 0.0000 0.0000 34295.6021 -149341.4065 299.5120 -183637.0086 -149243.7437 299.4948 -98.7282 -66.8176 557348.8652 7.6961 7.6344 PRESSURE: 4854400 -146.149 -153.951 79.6788 -153.952 -120.665 91.852 79.679 91.8506 -56.5732 GPRESSURE: 4854400 -89.9635 -111.025 127.976 -119.551 -118.846 14.5403 59.8468 156.122 -4.94576 PRESSAVG: 4854400 -26.7597 12.9291 -63.2443 12.9291 -38.1202 69.5253 -63.2444 69.5252 119.576 GPRESSAVG: 4854400 -26.4243 15.9304 -62.959 12.5 -39.8708 69.9777 -64.4281 69.5939 120.582 TIMING: 4854400 CPU: 14603.2, 0.00303897/step Wall: 14603.2, 0.00303897/step, 0.12291 hours remaining, 208.808594 MB of memory in use. ENERGY: 4854400 753.8408 2096.6506 1956.1051 101.6551 -206376.2526 17795.4314 0.0000 0.0000 34244.9704 -149427.5993 299.0698 -183672.5697 -149335.4062 299.0069 -107.7959 -71.2518 557151.7836 18.2321 18.0955 PRESSURE: 4854600 82.5317 103.13 -125.356 103.131 54.5396 29.2426 -125.356 29.2408 -256.481 GPRESSURE: 4854600 117.962 143.551 -205.396 111.555 20.5497 -15.297 -4.69593 55.5675 -150.393 PRESSAVG: 4854600 -18.9197 33.2491 24.0381 33.2491 72.1843 38.0712 24.0382 38.0712 -32.4637 GPRESSAVG: 4854600 -18.923 32.4529 23.8684 32.0553 71.5153 36.8489 22.9967 38.1814 -31.7002 TIMING: 4854600 CPU: 14603.8, 0.00302747/step Wall: 14603.8, 0.00302747/step, 0.122276 hours remaining, 208.871094 MB of memory in use. ENERGY: 4854600 746.0377 2074.8459 1940.9159 112.3251 -206312.3159 17733.4617 0.0000 0.0000 34232.2842 -149472.4454 298.9591 -183704.7296 -149381.7949 299.0388 -39.8031 -3.9604 555859.2936 6.9336 6.9640 PRESSURE: 4854800 -144.953 -58.8251 -156.296 -58.8248 87.7914 192.318 -156.296 192.318 214.352 GPRESSURE: 4854800 -75.9864 -72.6903 -146.563 -98.8937 80.2177 192.624 -209.657 174.317 252.151 PRESSAVG: 4854800 -9.59144 -17.5907 -40.5766 -17.5907 42.3913 48.4765 -40.5766 48.4765 13.9955 GPRESSAVG: 4854800 -8.53001 -19.2402 -39.554 -16.4627 42.0037 47.2039 -39.1246 50.2672 13.9374 TIMING: 4854800 CPU: 14604.4, 0.0030118/step Wall: 14604.4, 0.0030118/step, 0.121476 hours remaining, 208.871094 MB of memory in use. ENERGY: 4854800 751.8469 2092.2219 1957.6732 103.2173 -206347.9528 17897.8901 0.0000 0.0000 34113.2272 -149431.8762 297.9193 -183545.1034 -149340.9353 298.9904 52.3969 85.4609 555958.7130 15.5985 15.8037 PRESSURE: 4855000 83.3987 138.247 46.3857 138.246 171.329 151.81 46.385 151.809 162.826 GPRESSURE: 4855000 176.809 107.971 43.2632 174.127 146.864 95.1791 102.935 152.073 209.367 PRESSAVG: 4855000 -26.6113 -1.70496 -17.8371 -1.70498 22.5352 10.1821 -17.8373 10.1821 22.8064 GPRESSAVG: 4855000 -27.2569 -1.23594 -19.6764 -0.816909 23.2348 13.2993 -17.5929 8.40867 22.7002 TIMING: 4855000 CPU: 14605, 0.00302385/step Wall: 14605, 0.00302385/step, 0.121794 hours remaining, 208.871094 MB of memory in use. ENERGY: 4855000 734.0239 2084.8554 1936.6989 119.6694 -206183.2892 17858.6752 0.0000 0.0000 34188.0679 -149261.2985 298.5729 -183449.3664 -149162.4485 299.3566 139.1845 177.6802 556198.0987 6.2434 6.2260 PRESSURE: 4855200 -255.896 9.76397 -177.017 9.76524 138.849 17.6982 -177.018 17.6984 -49.1818 GPRESSURE: 4855200 -237.715 -63.8551 -149.919 54.9465 137.557 79.0132 -154.754 -61.3955 34.8299 PRESSAVG: 4855200 19.8514 -2.24945 -52.8285 -2.24947 25.391 8.60481 -52.8285 8.60477 -9.9419 GPRESSAVG: 4855200 19.3802 -4.80262 -51.9296 -3.00555 26.3726 7.59113 -53.0527 8.55998 -10.4175 TIMING: 4855200 CPU: 14605.6, 0.00303607/step Wall: 14605.6, 0.00303607/step, 0.122117 hours remaining, 208.871094 MB of memory in use. ENERGY: 4855200 755.5429 2142.6325 1964.4989 121.9628 -206187.5321 17662.5985 0.0000 0.0000 34301.2818 -149239.0147 299.5616 -183540.2964 -149144.2925 300.0425 -55.4096 -21.7761 557045.5718 11.7668 11.7785 PRESSURE: 4855400 -88.4012 154.523 178.779 154.523 168.831 49.1833 178.78 49.1828 -268.061 GPRESSURE: 4855400 -49.1871 226.468 257.928 172.813 196.446 -38.6854 138.785 -3.69286 -235.646 PRESSAVG: 4855400 -24.8284 38.7165 -27.9239 38.7164 35.8377 50.1265 -27.9239 50.1264 -45.5522 GPRESSAVG: 4855400 -24.8808 41.7393 -26.4726 38.0905 34.5661 48.9496 -28.5169 51.9924 -44.7638 TIMING: 4855400 CPU: 14606.2, 0.00304587/step Wall: 14606.2, 0.00304587/step, 0.122343 hours remaining, 208.871094 MB of memory in use. ENERGY: 4855400 778.8232 2085.6371 1953.3377 112.3143 -206253.4704 17816.2005 0.0000 0.0000 34306.7273 -149200.4303 299.6092 -183507.1576 -149104.1266 299.7425 -62.5436 -29.4625 556313.2937 -11.5143 -11.6928 PRESSURE: 4855600 -219.518 11.007 121.073 11.0066 177.809 0.947252 121.072 0.948574 -253.54 GPRESSURE: 4855600 -129.049 7.89872 151.193 58.4285 148.939 14.7192 102.688 3.77055 -218.226 PRESSAVG: 4855600 69.6762 13.931 19.9339 13.9309 -0.260783 9.25737 19.9339 9.25744 -38.6089 GPRESSAVG: 4855600 69.6146 12.019 20.1355 14.6421 -0.183669 8.52389 19.6387 8.5031 -38.9118 TIMING: 4855600 CPU: 14606.8, 0.00304047/step Wall: 14606.8, 0.00304047/step, 0.121957 hours remaining, 208.871094 MB of memory in use. ENERGY: 4855600 778.8855 2053.5108 1965.3076 105.9787 -206051.4184 17732.0059 0.0000 0.0000 34310.0628 -149105.6670 299.6383 -183415.7298 -149006.8919 299.5117 -98.4162 -66.1118 556713.6407 10.2688 10.1731 PRESSURE: 4855800 -82.7312 -59.7724 169.659 -59.7716 62.7674 3.83227 169.659 3.83226 68.0537 GPRESSURE: 4855800 -22.8202 -6.98226 127.548 -85.5107 56.5279 50.787 197.375 18.7927 111.407 PRESSAVG: 4855800 -34.7132 0.832898 25.8548 0.832937 53.1969 9.19524 25.8548 9.19531 -7.53864 GPRESSAVG: 4855800 -34.5898 1.80498 25.0269 -0.481759 53.3024 11.7238 25.8174 8.20011 -8.32021 TIMING: 4855800 CPU: 14607.4, 0.00304816/step Wall: 14607.4, 0.00304816/step, 0.122096 hours remaining, 208.871094 MB of memory in use. ENERGY: 4855800 791.8368 2025.7555 1977.2379 105.4214 -206478.0031 17986.0629 0.0000 0.0000 34372.7123 -149218.9761 300.1854 -183591.6884 -149129.3563 299.5985 16.0300 48.3715 555612.3869 3.6483 3.4641 PRESSURE: 4856000 25.0372 11.5862 85.921 11.5854 -212.91 -97.6552 85.9208 -97.6547 -130.413 GPRESSURE: 4856000 -1.35007 -15.097 34.0771 30.3921 -136.087 -50.4223 159.467 -111.163 -79.7837 PRESSAVG: 4856000 -10.4026 -3.62656 76.0229 -3.62656 12.5605 13.1305 76.0229 13.1305 4.22834 GPRESSAVG: 4856000 -9.6079 -3.2873 76.8758 -2.89146 13.8566 12.6956 78.3298 14.1431 2.22976 TIMING: 4856000 CPU: 14608, 0.00301096/step Wall: 14608, 0.00301096/step, 0.120438 hours remaining, 208.871094 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: 4856000 738.8498 2077.2429 1941.0791 117.5396 -205793.9825 17538.9632 0.0000 0.0000 34134.2870 -149246.0209 298.1032 -183380.3079 -149143.0563 298.4129 -106.0953 -72.4070 555395.5241 2.1288 2.1595 PRESSURE: 4856200 -99.7475 1.22963 240.464 1.23065 147.732 -133.459 240.465 -133.46 230.623 GPRESSURE: 4856200 -31.1891 -26.9525 232.566 19.3963 144.536 -139.14 222.89 -117.362 268.582 PRESSAVG: 4856200 15.4094 -0.0639561 66.1735 -0.0640002 4.16467 -13.2454 66.1734 -13.2455 36.4957 GPRESSAVG: 4856200 14.9161 -1.89472 65.1801 1.40763 2.1781 -15.47 64.5975 -12.9774 38.6079 TIMING: 4856200 CPU: 14608.6, 0.00302969/step Wall: 14608.6, 0.00302969/step, 0.121019 hours remaining, 208.871094 MB of memory in use. ENERGY: 4856200 736.0440 2103.7257 1948.1018 111.8453 -206272.4757 17792.0376 0.0000 0.0000 34229.2783 -149351.4430 298.9328 -183580.7213 -149255.3042 299.6275 92.8693 127.3095 554764.0024 18.6899 18.5674 LDB: ============= START OF LOAD BALANCING ============== 14612 LDB: ============== END OF LOAD BALANCING =============== 14612 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14612 LDB: ============= START OF LOAD BALANCING ============== 14612.4 LDB: Largest compute 4820 load 0.027778 is 23.5% of average load 0.118158 LDB: Average compute 0.001728 is 1.5% of average load 0.118158 LDB: TIME 14612.4 LOAD: AVG 0.118158 MAX 0.218571 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.719 MB LDB: TIME 14612.4 LOAD: AVG 0.118158 MAX 0.218571 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.723 MB LDB: TIME 14612.4 LOAD: AVG 0.118158 MAX 0.218571 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.723 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14612.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14612.4 PRESSURE: 4856400 46.8252 -47.7329 34.8773 -47.7332 -142.786 156.355 34.8767 156.354 -55.9822 GPRESSURE: 4856400 44.8888 -128.355 -20.1581 -28.5222 -97.5624 110.536 117.92 140.505 -3.69573 PRESSAVG: 4856400 70.3513 -35.9877 24.4297 -35.9877 -36.5029 -3.53689 24.4298 -3.53677 2.31757 GPRESSAVG: 4856400 71.9089 -33.6979 23.1645 -38.0014 -37.7591 -1.09934 25.1963 -6.99555 1.86551 TIMING: 4856400 CPU: 14609.2, 0.00310609/step Wall: 14609.2, 0.00310609/step, 0.123899 hours remaining, 208.230469 MB of memory in use. ENERGY: 4856400 721.8534 2088.6608 1957.7359 111.8513 -206412.8989 17830.4759 0.0000 0.0000 34457.7860 -149244.5356 300.9284 -183702.3216 -149148.1652 299.7861 -50.6477 -18.7898 556907.8399 12.0553 12.0051 PRESSURE: 4856600 -76.7919 158.05 56.7786 158.05 -51.7467 102.391 56.779 102.391 -97.0522 GPRESSURE: 4856600 -96.9236 173.747 31.1773 196.587 1.4839 66.3403 93.871 31.4748 -19.9176 PRESSAVG: 4856600 82.6014 51.5702 35.0142 51.5702 -72.3963 -24.9587 35.0142 -24.9587 -64.0805 GPRESSAVG: 4856600 79.002 52.5446 37.8744 53.1965 -69.4282 -24.3988 33.7477 -23.4792 -63.5078 TIMING: 4856600 CPU: 14609.8, 0.00304229/step Wall: 14609.8, 0.00304229/step, 0.121184 hours remaining, 208.230469 MB of memory in use. ENERGY: 4856600 690.5207 2063.2683 1928.4456 111.3623 -206112.0017 17727.7202 0.0000 0.0000 34477.2375 -149113.4472 301.0983 -183590.6847 -149012.4637 299.7557 -75.1970 -38.4524 556538.1320 -17.9585 -17.9780 PRESSURE: 4856800 277.605 189.407 -166.729 189.407 120.291 62.0271 -166.729 62.026 -0.092188 GPRESSURE: 4856800 295.011 130.593 -174.624 225.239 109.692 66.8549 -254.354 40.6392 84.0201 PRESSAVG: 4856800 40.4558 24.2575 57.4063 24.2576 -9.80088 22.5504 57.4062 22.5503 -47.0653 GPRESSAVG: 4856800 40.4391 23.8597 55.998 23.8152 -10.2765 23.1233 57.5291 21.275 -46.9093 TIMING: 4856800 CPU: 14610.4, 0.00301537/step Wall: 14610.4, 0.00301537/step, 0.119945 hours remaining, 208.230469 MB of memory in use. ENERGY: 4856800 759.9841 2112.6398 1938.1664 149.8197 -206578.7339 18105.6998 0.0000 0.0000 34299.8993 -149212.5248 299.5496 -183512.4241 -149120.9406 299.7111 132.6014 162.9077 556304.6040 -5.4701 -5.5822 PRESSURE: 4857000 -69.8887 23.6279 5.69372 23.6296 -201.942 18.3864 5.69501 18.3851 -3.69776 GPRESSURE: 4857000 -37.9681 70.7905 -13.6327 37.3185 -180.036 52.93 74.7068 18.4736 42.3969 PRESSAVG: 4857000 63.3087 32.7418 2.5228 32.7418 -40.4762 -25.8073 2.52282 -25.8074 -5.29267 GPRESSAVG: 4857000 64.3127 33.2155 2.86127 32.3075 -40.6449 -26.3875 4.1797 -24.0378 -5.82339 TIMING: 4857000 CPU: 14611, 0.00299983/step Wall: 14611, 0.00299983/step, 0.11916 hours remaining, 208.230469 MB of memory in use. ENERGY: 4857000 803.6917 2068.1999 1929.9902 105.5147 -206193.4342 17741.6330 0.0000 0.0000 34286.5944 -149257.8102 299.4334 -183544.4047 -149158.7825 299.0893 -91.8430 -58.5358 557398.3038 5.8466 5.9481 PRESSURE: 4857200 -59.9302 2.35597 66.3031 2.35617 378.206 -47.7114 66.3032 -47.7106 22.1326 GPRESSURE: 4857200 -10.8383 77.5204 47.2144 -52.6874 392.871 12.1015 102.43 -44.6612 55.7302 PRESSAVG: 4857200 -20.5731 -27.8404 -62.5102 -27.8404 43.5618 18.7174 -62.5102 18.7174 -24.029 GPRESSAVG: 4857200 -20.2768 -26.5995 -62.948 -29.0502 43.2968 17.9715 -60.8792 18.4243 -23.8058 TIMING: 4857200 CPU: 14611.6, 0.00299538/step Wall: 14611.6, 0.00299538/step, 0.118817 hours remaining, 208.230469 MB of memory in use. ENERGY: 4857200 689.6254 2063.5908 1921.8609 110.1559 -206414.5772 17872.1144 0.0000 0.0000 34377.7812 -149379.4486 300.2297 -183757.2298 -149285.1436 299.3179 113.4696 145.9208 555908.8616 -0.3467 -0.2619 PRESSURE: 4857400 -193.375 -77.0522 -13.0769 -77.0534 68.7814 313.802 -13.0762 313.803 10.1239 GPRESSURE: 4857400 -248.752 -43.0529 12.9458 -57.8705 162.383 308.672 -6.88147 205.371 64.2776 PRESSAVG: 4857400 -25.5744 2.11473 22.6467 2.11478 23.7737 31.6908 22.6466 31.6907 49.9665 GPRESSAVG: 4857400 -26.5747 0.34712 24.3646 4.1655 25.4034 31.5692 20.7024 30.5535 49.5387 TIMING: 4857400 CPU: 14612.2, 0.00298049/step Wall: 14612.2, 0.00298049/step, 0.118061 hours remaining, 208.230469 MB of memory in use. ENERGY: 4857400 759.6927 2103.0792 1934.0693 102.4212 -206312.7100 17782.8589 0.0000 0.0000 34226.1453 -149404.4434 298.9054 -183630.5887 -149323.6735 298.6873 -38.1566 -7.3636 556376.2566 16.0553 16.1225 PRESSURE: 4857600 -203.163 209.93 -122.285 209.93 -82.2593 28.7116 -122.287 28.7112 52.2125 GPRESSURE: 4857600 -134.182 232.244 -95.7482 218.628 -42.6204 61.3142 -165.97 40.7307 50.8436 PRESSAVG: 4857600 -62.2552 65.7035 -19.2939 65.7035 67.78 14.377 -19.2938 14.377 40.9222 GPRESSAVG: 4857600 -60.7187 64.2532 -20.2595 66.2101 66.465 16.1505 -20.3906 14.0496 40.5805 TIMING: 4857600 CPU: 14612.8, 0.00303036/step Wall: 14612.8, 0.00303036/step, 0.119868 hours remaining, 208.230469 MB of memory in use. ENERGY: 4857600 768.0035 2044.3305 1919.1044 115.3879 -206410.0615 17779.7997 0.0000 0.0000 34226.8995 -149556.5359 298.9120 -183783.4354 -149460.8133 298.7141 -77.7367 -41.9861 556351.2097 15.4823 15.4423 PRESSURE: 4857800 60.7487 25.6866 -121.91 25.6858 33.5414 166.499 -121.91 166.5 206.981 GPRESSURE: 4857800 133.609 173.357 -129.985 5.72235 13.3554 120.012 -141.159 141.918 249.161 PRESSAVG: 4857800 0.933028 11.09 17.8273 11.0899 -16.1264 40.7771 17.8273 40.7771 -12.219 GPRESSAVG: 4857800 0.84446 10.3305 18.0996 12.3119 -15.9418 37.4247 16.8787 43.518 -12.14 TIMING: 4857800 CPU: 14613.5, 0.00303594/step Wall: 14613.5, 0.00303594/step, 0.11992 hours remaining, 208.230469 MB of memory in use. ENERGY: 4857800 756.0739 2102.2978 1910.1113 99.8975 -206458.1471 18057.9220 0.0000 0.0000 33957.6052 -149574.2393 296.5602 -183531.8445 -149482.8240 298.0937 100.4236 132.0417 557598.9549 -9.1375 -9.0791 PRESSURE: 4858000 -95.6246 79.7085 -109.025 79.7071 256.863 -67.7531 -109.025 -67.7531 -17.4281 GPRESSURE: 4858000 -136.724 38.539 -72.8566 120.414 329.609 -13.5587 -98.1428 -122.139 39.8074 PRESSAVG: 4858000 -75.2709 36.5752 -19.366 36.5752 44.7841 64.4858 -19.366 64.4858 39.2805 GPRESSAVG: 4858000 -76.2527 37.3191 -19.724 35.0742 45.35 65.4068 -17.739 62.5737 39.6769 TIMING: 4858000 CPU: 14614.1, 0.00303276/step Wall: 14614.1, 0.00303276/step, 0.119625 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: 4858000 754.2543 2110.7642 1906.5584 107.6843 -206541.3104 18027.7017 0.0000 0.0000 34086.2688 -149548.0787 297.6839 -183634.3475 -149450.3270 298.4149 47.9367 77.5642 558709.5178 2.9312 2.9247 PRESSURE: 4858200 85.0456 -40.7904 -51.4248 -40.7901 -50.9295 60.2485 -51.4258 60.2474 34.2761 GPRESSURE: 4858200 97.2151 -9.59801 -72.841 -103.239 -34.3047 171.349 -44.8336 -80.2923 108.717 PRESSAVG: 4858200 -11.5354 -18.9986 -19.9094 -18.9985 11.0939 -73.012 -19.9095 -73.0121 -3.06753 GPRESSAVG: 4858200 -11.4755 -16.9438 -19.85 -19.3034 10.4821 -72.8536 -17.8844 -73.2376 -2.79171 TIMING: 4858200 CPU: 14614.7, 0.00306178/step Wall: 14614.7, 0.00306178/step, 0.1206 hours remaining, 208.230469 MB of memory in use. ENERGY: 4858200 767.5111 2127.0161 1918.0783 122.2784 -206430.0321 17990.9035 0.0000 0.0000 34118.1343 -149386.1103 297.9622 -183504.2447 -149292.9675 298.3726 22.7974 57.2091 559527.2121 -1.1697 -1.2617 PRESSURE: 4858400 -288.079 -111.644 2.6947 -111.644 -153.411 103.271 2.69373 103.27 -371.852 GPRESSURE: 4858400 -210.392 -112.592 12.9806 -44.1245 -131.277 235.65 -9.6974 25.8254 -377.872 PRESSAVG: 4858400 40.4182 11.7759 28.7853 11.776 32.2801 4.01623 28.7853 4.01615 -10.4739 GPRESSAVG: 4858400 41.3512 10.6052 29.4411 12.4685 31.3497 6.24141 27.5593 1.96497 -10.2537 TIMING: 4858400 CPU: 14615.3, 0.00302351/step Wall: 14615.3, 0.00302351/step, 0.118925 hours remaining, 208.230469 MB of memory in use. ENERGY: 4858400 776.1308 2111.3964 1959.3095 109.6767 -206242.8583 17581.4520 0.0000 0.0000 34257.2633 -149447.6297 299.1772 -183704.8929 -149347.2535 298.8798 -271.1141 -239.8469 559387.8707 20.7415 20.8157 PRESSURE: 4858600 72.792 11.6058 47.9211 11.6056 -112.14 21.0554 47.9216 21.0549 52.577 GPRESSURE: 4858600 110.955 35.5173 40.4511 -38.4907 -63.0319 16.3505 48.0297 -12.4414 60.5649 PRESSAVG: 4858600 101.939 57.3488 32.7048 57.3488 -30.791 41.6302 32.7048 41.6302 -38.9575 GPRESSAVG: 4858600 102.925 56.9908 31.6442 56.8588 -30.651 40.0813 33.1569 42.635 -40.1259 TIMING: 4858600 CPU: 14615.9, 0.00304411/step Wall: 14615.9, 0.00304411/step, 0.119566 hours remaining, 208.230469 MB of memory in use. ENERGY: 4858600 779.3150 2059.4798 1954.5450 136.5682 -206564.4126 18133.3697 0.0000 0.0000 34071.5939 -149429.5410 297.5557 -183501.1349 -149331.0440 298.1280 4.4097 36.1626 558495.5220 10.7301 10.7159 PRESSURE: 4858800 -11.7386 1.25419 -73.3943 1.25273 -155.444 24.5147 -73.3945 24.5151 -222.641 GPRESSURE: 4858800 40.226 -133.428 -31.9493 56.5635 -122.123 -66.7967 -86.9723 60.7908 -210.326 PRESSAVG: 4858800 -25.3165 45.2311 -19.899 45.2311 -22.4488 9.34613 -19.899 9.34614 1.95741 GPRESSAVG: 4858800 -27.814 44.8871 -18.2268 48.3044 -21.7788 8.73633 -20.6108 11.1598 3.77579 TIMING: 4858800 CPU: 14616.5, 0.00303536/step Wall: 14616.5, 0.00303536/step, 0.119053 hours remaining, 208.230469 MB of memory in use. ENERGY: 4858800 729.9396 2091.0595 1946.0287 115.6900 -206185.9774 17676.9325 0.0000 0.0000 34099.0044 -149527.3227 297.7951 -183626.3271 -149431.0113 298.2274 -129.9410 -97.4077 558878.2067 -15.2693 -15.2723 PRESSURE: 4859000 323.336 201.472 77.7929 201.47 61.0723 61.8726 77.7947 61.875 -193.335 GPRESSURE: 4859000 279.207 204.2 82.332 198.348 116.587 10.0005 27.6474 151.08 -106.573 PRESSAVG: 4859000 50.1179 20.4525 -17.753 20.4524 -24.3102 -42.019 -17.7528 -42.019 -3.33169 GPRESSAVG: 4859000 50.6946 20.4212 -17.68 18.6304 -24.6108 -40.5156 -20.1138 -43.0024 -3.4639 TIMING: 4859000 CPU: 14617.1, 0.00302017/step Wall: 14617.1, 0.00302017/step, 0.11829 hours remaining, 208.230469 MB of memory in use. ENERGY: 4859000 719.4567 2075.4876 1968.7667 117.7722 -206391.2809 17839.9311 0.0000 0.0000 34084.6426 -149585.2239 297.6697 -183669.8665 -149489.5934 298.4299 63.6912 96.4069 557352.2936 7.4920 7.5400 PRESSURE: 4859200 -50.1283 27.413 197.959 27.4138 149.857 -123.892 197.96 -123.89 319.225 GPRESSURE: 4859200 -12.6368 -18.4617 144.681 95.7187 197.75 -18.6282 152.662 -195.161 328.283 PRESSAVG: 4859200 40.6956 33.2739 52.13 33.2739 -24.4228 3.86262 52.1299 3.8626 -31.1685 GPRESSAVG: 4859200 40.3294 34.421 50.8433 32.9288 -23.93 2.58939 54.0628 5.52913 -30.5809 TIMING: 4859200 CPU: 14617.7, 0.00306923/step Wall: 14617.7, 0.00306923/step, 0.120041 hours remaining, 208.230469 MB of memory in use. ENERGY: 4859200 734.1299 2104.5204 1954.0104 115.5102 -206774.8571 18141.6559 0.0000 0.0000 34078.7630 -149646.2673 297.6183 -183725.0303 -149551.8475 298.1222 139.6513 171.1320 556861.8847 -4.9652 -4.7272 PRESSURE: 4859400 86.8167 187.239 -4.05578 187.239 -31.2487 -1.53248 -4.05603 -1.53176 56.1224 GPRESSURE: 4859400 122.525 149.357 58.9505 175.359 111.68 -54.6142 -46.3764 -47.9582 -20.8324 PRESSAVG: 4859400 -11.0086 25.5294 -3.43321 25.5294 -31.2339 -1.87433 -3.43307 -1.8742 24.2044 GPRESSAVG: 4859400 -9.0595 25.1162 -3.66787 25.6951 -31.0033 -2.39987 -2.912 -2.43843 22.6166 TIMING: 4859400 CPU: 14618.3, 0.00304194/step Wall: 14618.3, 0.00304194/step, 0.118805 hours remaining, 208.230469 MB of memory in use. ENERGY: 4859400 729.5203 2026.8865 1946.9213 114.4562 -206011.5306 17644.4506 0.0000 0.0000 33945.6860 -149603.6098 296.4561 -183549.2958 -149507.4754 297.8201 37.2301 71.1242 556641.0272 -6.0127 -5.8154 PRESSURE: 4859600 79.3931 146.946 32.6847 146.945 14.0396 107.904 32.6838 107.903 146.637 GPRESSURE: 4859600 95.3174 98.6157 -0.564952 112.832 52.8636 117.513 54.9158 90.1991 184.079 PRESSAVG: 4859600 38.9504 67.8812 17.6545 67.8811 -37.8447 4.85643 17.6546 4.85635 -0.0735597 GPRESSAVG: 4859600 37.901 68.7074 18.1607 65.7062 -37.8331 5.01012 17.607 2.85321 1.44204 TIMING: 4859600 CPU: 14618.9, 0.00304122/step Wall: 14618.9, 0.00304122/step, 0.118608 hours remaining, 208.230469 MB of memory in use. ENERGY: 4859600 733.2058 2048.8093 1946.5658 108.5074 -206152.8253 17757.6904 0.0000 0.0000 34152.2366 -149405.8101 298.2600 -183558.0467 -149311.0972 297.7522 80.0234 110.7532 556009.3939 0.3440 0.5033 PRESSURE: 4859800 159.803 128.936 -37.9321 128.937 208.103 -93.0947 -37.9328 -93.0941 234.75 GPRESSURE: 4859800 232.248 154.489 -24.3345 116.135 205.325 -158.85 -12.9936 46.7918 255.21 PRESSAVG: 4859800 100.017 61.718 -51.2287 61.718 -44.6206 22.2419 -51.2286 22.2418 -54.3064 GPRESSAVG: 4859800 100.727 58.1752 -51.042 66.7063 -45.3144 23.1072 -50.4077 23.9063 -54.6988 TIMING: 4859800 CPU: 14619.5, 0.00302442/step Wall: 14619.5, 0.00302442/step, 0.117784 hours remaining, 208.488281 MB of memory in use. ENERGY: 4859800 730.6488 2102.3700 1961.6435 122.4131 -206670.5930 18025.2006 0.0000 0.0000 34400.4586 -149327.8583 300.4278 -183728.3169 -149232.4105 299.4587 200.8853 230.9278 556789.2734 0.3633 0.2381 PRESSURE: 4860000 -127.087 78.2448 -160.135 78.2458 248.623 64.0171 -160.135 64.0172 -61.1705 GPRESSURE: 4860000 -87.971 56.2213 -183.795 127.821 296.114 37.9534 -106.252 33.28 -44.9276 PRESSAVG: 4860000 49.6633 -11.7441 8.66006 -11.7441 -35.5755 -3.81486 8.65998 -3.81488 -14.6979 GPRESSAVG: 4860000 49.658 -9.74913 8.28517 -13.3207 -34.7783 -3.3765 7.22467 -3.13832 -15.337 TIMING: 4860000 CPU: 14620.1, 0.00302087/step Wall: 14620.1, 0.00302087/step, 0.117478 hours remaining, 208.488281 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: 4860000 740.7447 2092.7571 1917.7987 109.5155 -206222.6213 17700.8995 0.0000 0.0000 34290.8381 -149370.0677 299.4704 -183660.9058 -149274.3918 298.8970 20.1217 54.4051 558245.7803 -0.2034 -0.1525 PRESSURE: 4860200 103.615 70.3728 124.14 70.3729 -6.74263 218.959 124.139 218.959 -210.501 GPRESSURE: 4860200 136.795 142.598 146.2 46.1253 4.51906 199.139 118.502 216.202 -157.025 PRESSAVG: 4860200 22.6897 24.985 -20.5639 24.9851 -51.0191 16.1903 -20.5638 16.1903 0.770855 GPRESSAVG: 4860200 23.3817 25.6401 -18.9272 25.8318 -52.6559 16.8745 -19.5069 16.1849 1.27379 TIMING: 4860200 CPU: 14620.7, 0.00303744/step Wall: 14620.7, 0.00303744/step, 0.117954 hours remaining, 208.488281 MB of memory in use. ENERGY: 4860200 730.2615 2100.4959 1930.0701 119.9565 -206507.4691 17803.1021 0.0000 0.0000 34393.3897 -149430.1933 300.3660 -183823.5830 -149328.7576 298.2936 -37.8760 -5.2369 556757.4042 -9.1862 -9.3335 LDB: ============= START OF LOAD BALANCING ============== 14624.2 LDB: ============== END OF LOAD BALANCING =============== 14624.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14624.2 LDB: ============= START OF LOAD BALANCING ============== 14624.5 LDB: Largest compute 4820 load 0.028008 is 23.7% of average load 0.118206 LDB: Average compute 0.001726 is 1.5% of average load 0.118206 LDB: TIME 14624.5 LOAD: AVG 0.118206 MAX 0.217632 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.137 MB LDB: TIME 14624.5 LOAD: AVG 0.118206 MAX 0.217632 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.199 MB LDB: TIME 14624.5 LOAD: AVG 0.118206 MAX 0.217632 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.199 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14624.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14624.5 PRESSURE: 4860400 146.299 -17.679 153.614 -17.6783 -237.516 -98.9602 153.613 -98.9603 -8.95523 GPRESSURE: 4860400 152.646 -10.5339 78.5533 -80.8063 -200.686 -24.282 166.653 -182.862 56.8624 PRESSAVG: 4860400 7.11723 50.4356 36.48 50.4356 51.5762 49.619 36.4799 49.619 -88.5944 GPRESSAVG: 4860400 5.91601 50.0042 36.0157 48.1552 52.174 49.8013 34.8333 47.9099 -87.6102 TIMING: 4860400 CPU: 14621.4, 0.00313312/step Wall: 14621.4, 0.00313312/step, 0.121496 hours remaining, 208.867188 MB of memory in use. ENERGY: 4860400 738.3691 2050.8002 1939.0991 117.1497 -206407.5376 17861.0479 0.0000 0.0000 34175.2925 -149525.7792 298.4613 -183701.0717 -149432.1359 297.9666 -33.3910 2.9408 557253.7617 -9.9670 -9.8401 PRESSURE: 4860600 -107.727 -150.897 -92.7268 -150.898 -95.6842 125.246 -92.7271 125.247 274.071 GPRESSURE: 4860600 -66.4605 -154.834 -34.8283 -161.373 -80.4249 101.031 -118.703 121.5 304.645 PRESSAVG: 4860600 -27.0822 55.4037 27.2065 55.4036 16.9915 11.6947 27.2065 11.6948 -14.9788 GPRESSAVG: 4860600 -26.1826 55.7738 27.9281 55.6902 15.9439 10.5693 28.8074 13.6194 -15.5019 TIMING: 4860600 CPU: 14622, 0.0030258/step Wall: 14622, 0.0030258/step, 0.117166 hours remaining, 209.195312 MB of memory in use. ENERGY: 4860600 745.0966 2102.9496 1938.1614 119.9281 -206673.9608 18043.6772 0.0000 0.0000 34241.2766 -149482.8713 299.0376 -183724.1479 -149389.6162 298.5894 23.5533 52.5866 556755.3332 -8.3565 -8.5802 PRESSURE: 4860800 -156.357 -56.9836 -7.7046 -56.9824 -112.665 151.262 -7.70475 151.264 -130.29 GPRESSURE: 4860800 -117.386 -67.8211 15.0636 -63.1092 -58.9747 145.094 -7.91442 182.085 -123.66 PRESSAVG: 4860800 -41.4502 15.2875 0.481038 15.2874 37.6656 17.9626 0.481041 17.9626 -54.2615 GPRESSAVG: 4860800 -41.2538 16.0966 -3.04284 14.4335 37.31 18.4327 0.389699 16.3249 -54.2771 TIMING: 4860800 CPU: 14622.6, 0.00302549/step Wall: 14622.6, 0.00302549/step, 0.116986 hours remaining, 209.195312 MB of memory in use. ENERGY: 4860800 727.1280 2056.0701 1940.9329 113.1749 -205904.1934 17566.2549 0.0000 0.0000 34205.0812 -149295.5514 298.7215 -183500.6326 -149197.8554 298.5009 -133.1040 -100.0069 559112.4072 -19.3487 -19.4069 PRESSURE: 4861000 2.22053 -55.7813 99.8411 -55.7824 -80.7195 35.2232 99.8419 35.2222 -191.072 GPRESSURE: 4861000 71.1833 -55.8461 71.147 -73.4259 -62.3924 78.5931 118.744 16.3256 -174.498 PRESSAVG: 4861000 31.8835 -32.9284 34.1323 -32.9285 -22.3506 -5.48595 34.1324 -5.48613 19.5651 GPRESSAVG: 4861000 30.4791 -32.7231 35.7271 -31.2148 -21.5396 -5.03574 33.3645 -4.85874 19.9821 TIMING: 4861000 CPU: 14623.2, 0.00303789/step Wall: 14623.2, 0.00303789/step, 0.117296 hours remaining, 209.195312 MB of memory in use. ENERGY: 4861000 792.0259 2076.1326 1943.1573 117.6886 -206163.3555 17660.6054 0.0000 0.0000 34266.5365 -149307.2091 299.2582 -183573.7456 -149212.8773 298.9150 -89.8571 -55.2357 557856.1719 9.6993 9.6406 PRESSURE: 4861200 123.206 -52.4123 193.004 -52.4124 -57.2255 -122.709 193.002 -122.708 -119.255 GPRESSURE: 4861200 115.763 -5.91835 163.292 -7.85586 -31.7222 -157.346 277.801 -73.6261 -34.0554 PRESSAVG: 4861200 -7.67233 -67.5417 -23.9505 -67.5419 11.6537 -4.62938 -23.9504 -4.62944 -20.5093 GPRESSAVG: 4861200 -7.1392 -68.3431 -20.9886 -68.6834 12.651 -5.16668 -24.6138 -3.8354 -21.6962 TIMING: 4861200 CPU: 14623.8, 0.00305115/step Wall: 14623.8, 0.00305115/step, 0.117639 hours remaining, 209.195312 MB of memory in use. ENERGY: 4861200 741.8374 2130.2725 1958.5361 112.3551 -206296.2840 17880.7436 0.0000 0.0000 34080.7249 -149391.8143 297.6354 -183472.5392 -149297.9534 299.4819 -17.7582 16.6617 558149.3350 -5.5093 -5.3948 PRESSURE: 4861400 116.818 -139.966 -149.697 -139.964 34.9539 28.7719 -149.695 28.7742 -142.47 GPRESSURE: 4861400 100.444 -175.254 -91.5423 -146.548 101.453 26.3093 -197.566 -27.0345 -111.19 PRESSAVG: 4861400 33.2281 -33.9765 60.8765 -33.9764 -1.41203 -9.20509 60.8764 -9.20519 -19.2689 GPRESSAVG: 4861400 31.5443 -33.4598 57.4855 -33.0332 -1.36049 -10.2091 63.4434 -8.52812 -17.855 TIMING: 4861400 CPU: 14624.4, 0.00305291/step Wall: 14624.4, 0.00305291/step, 0.117537 hours remaining, 209.195312 MB of memory in use. ENERGY: 4861400 735.1351 2110.9773 1932.4522 114.9343 -206491.1162 17964.4926 0.0000 0.0000 34302.9656 -149330.1591 299.5763 -183633.1247 -149233.3059 298.9924 3.1008 30.2354 558663.1948 4.1824 4.1096 PRESSURE: 4861600 85.128 47.6063 -66.0342 47.6061 56.9351 -79.4264 -66.0345 -79.4262 58.1978 GPRESSURE: 4861600 66.7527 -22.397 -13.7505 76.1146 80.2294 -178.64 -65.3375 -128.471 137.998 PRESSAVG: 4861600 18.3615 -2.41484 -13.0266 -2.41481 -10.2799 46.0875 -13.0266 46.0875 19.4097 GPRESSAVG: 4861600 21.3516 -2.81953 -10.7438 -4.63396 -11.9161 47.2444 -14.5899 44.944 18.4105 TIMING: 4861600 CPU: 14625, 0.00306277/step Wall: 14625, 0.00306277/step, 0.117747 hours remaining, 209.195312 MB of memory in use. ENERGY: 4861600 745.5140 2060.7453 1935.0526 120.0001 -206438.5906 17853.8589 0.0000 0.0000 34472.1887 -149251.2310 301.0542 -183723.4197 -149152.7820 298.8269 66.7536 94.9934 556806.3650 9.1638 9.2820 PRESSURE: 4861800 33.8044 -56.6674 29.8371 -56.6682 100.538 -25.1906 29.8378 -25.1918 -198.903 GPRESSURE: 4861800 12.5215 -117.413 11.3683 -149.199 127.168 59.545 50.7031 -82.6267 -109.553 PRESSAVG: 4861800 -29.5341 -7.61878 4.18069 -7.61877 71.5415 42.0248 4.18074 42.0248 -42.2814 GPRESSAVG: 4861800 -30.6886 -7.72252 2.98561 -5.59814 72.8137 41.4245 4.41431 41.5018 -42.5495 TIMING: 4861800 CPU: 14625.6, 0.00305667/step Wall: 14625.6, 0.00305667/step, 0.117342 hours remaining, 209.195312 MB of memory in use. ENERGY: 4861800 749.0992 2093.8751 1933.9774 112.9149 -205863.7140 17735.9108 0.0000 0.0000 33984.9426 -149252.9940 296.7990 -183237.9366 -149162.3571 298.3493 -21.5203 10.0453 558209.8837 -0.0913 -0.1415 PRESSURE: 4862000 -220.98 32.7046 -86.3472 32.7059 -163.39 -66.4597 -86.3481 -66.4606 1.39652 GPRESSURE: 4862000 -210.605 43.7514 -81.2759 -30.0029 -161.674 -47.2504 -86.6082 -69.5147 85.2203 PRESSAVG: 4862000 9.98961 -16.9013 -9.56871 -16.9012 12.7583 11.3226 -9.56878 11.3227 -2.28282 GPRESSAVG: 4862000 10.0016 -16.8899 -10.0908 -18.6317 11.2969 11.7712 -9.76662 11.8181 -0.562301 TIMING: 4862000 CPU: 14626.2, 0.00306079/step Wall: 14626.2, 0.00306079/step, 0.11733 hours remaining, 209.195312 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: 4862000 738.7414 2102.1490 1934.5387 101.8130 -205801.9267 17747.6362 0.0000 0.0000 34202.3148 -148974.7336 298.6973 -183177.0484 -148875.1358 299.1785 -127.6578 -95.6862 560240.4194 6.8217 6.9121 PRESSURE: 4862200 68.8738 9.14933 4.6397 9.149 20.7824 -2.54196 4.64071 -2.5409 -67.7421 GPRESSURE: 4862200 170.084 -32.0648 -9.82892 109.672 -18.8617 -29.1599 31.7604 25.3572 -22.7375 PRESSAVG: 4862200 23.1443 43.9101 16.2362 43.9101 36.0842 2.23909 16.2363 2.23894 -11.3119 GPRESSAVG: 4862200 23.8176 44.3563 18.5878 44.6432 35.8875 0.935096 16.148 2.19786 -11.723 TIMING: 4862200 CPU: 14626.9, 0.00306684/step Wall: 14626.9, 0.00306684/step, 0.117392 hours remaining, 209.195312 MB of memory in use. ENERGY: 4862200 722.1519 2069.2106 1916.8236 122.9324 -206004.6196 17966.3247 0.0000 0.0000 34345.1104 -148862.0661 299.9444 -183207.1765 -148772.0699 299.6614 7.3047 42.8283 559012.8129 15.9722 15.9940 PRESSURE: 4862400 260.471 -4.05993 32.0108 -4.05979 127.056 -11.7949 32.0115 -11.7959 -33.1597 GPRESSURE: 4862400 281.313 -89.6461 -31.1487 45.2119 150.417 -83.8431 13.7743 -19.2989 19.1582 PRESSAVG: 4862400 -39.19 19.4522 4.15398 19.4523 -18.9895 20.4936 4.15416 20.4936 1.23727 GPRESSAVG: 4862400 -39.4585 18.4958 2.83468 19.6796 -18.0286 21.1624 3.24254 22.0164 0.404389 TIMING: 4862400 CPU: 14627.5, 0.00303887/step Wall: 14627.5, 0.00303887/step, 0.116152 hours remaining, 209.195312 MB of memory in use. ENERGY: 4862400 714.5729 2098.3208 1917.9143 112.4264 -205954.1762 17951.8252 0.0000 0.0000 34135.5916 -149023.5250 298.1146 -183159.1166 -148928.3945 300.2198 118.1223 150.2961 558083.6112 -18.9808 -19.0276 PRESSURE: 4862600 16.3825 72.6611 -17.4391 72.6619 -50.8507 47.189 -17.4386 47.1887 -47.4248 GPRESSURE: 4862600 50.377 70.1802 -73.5138 62.3255 -39.9441 82.6667 23.9305 29.6968 1.70093 PRESSAVG: 4862600 11.2219 -6.39892 -66.2782 -6.39884 2.30112 28.2411 -66.2781 28.2411 39.5392 GPRESSAVG: 4862600 9.99718 -5.08037 -66.9464 -8.24888 2.54096 27.9341 -64.2672 26.3841 40.5278 TIMING: 4862600 CPU: 14628.1, 0.00305694/step Wall: 14628.1, 0.00305694/step, 0.116673 hours remaining, 209.195312 MB of memory in use. ENERGY: 4862600 738.2195 2140.7163 1922.1917 111.2799 -205822.6606 17671.9631 0.0000 0.0000 34394.9363 -148843.3538 300.3795 -183238.2902 -148751.3276 299.5123 -27.2977 4.0446 558479.8768 17.6874 17.6886 PRESSURE: 4862800 -80.2121 65.2394 -75.1719 65.239 -246.313 -25.1034 -75.1718 -25.1024 -144.733 GPRESSURE: 4862800 -80.3891 79.2726 -8.56919 136.389 -239.093 -58.3793 -91.6158 -41.8425 -58.1897 PRESSAVG: 4862800 55.4054 31.6042 -58.0306 31.6043 -1.45697 -9.36797 -58.0306 -9.36803 -38.3816 GPRESSAVG: 4862800 55.2346 30.6301 -58.0978 35.8195 -0.846877 -6.35278 -57.6812 -9.99511 -38.5355 TIMING: 4862800 CPU: 14628.7, 0.00305378/step Wall: 14628.7, 0.00305378/step, 0.116383 hours remaining, 209.195312 MB of memory in use. ENERGY: 4862800 764.9148 2089.6024 1923.7863 107.4904 -205700.4246 17651.5522 0.0000 0.0000 34063.8538 -149099.2249 297.4881 -183163.0787 -148999.3602 299.5614 -157.0862 -125.8904 558119.9446 5.1889 5.2841 PRESSURE: 4863000 -281.599 140.839 -105.816 140.84 -115.139 -7.25749 -105.815 -7.25757 32.4898 GPRESSURE: 4863000 -298.361 99.6433 -137.266 122.587 -56.134 33.3775 -99.9648 -133.53 87.2168 PRESSAVG: 4863000 -4.58552 49.7597 -19.5796 49.7597 -15.6198 -2.81747 -19.5796 -2.81759 7.18294 GPRESSAVG: 4863000 -3.86678 50.5963 -21.8423 48.6568 -16.0243 -4.51455 -20.1391 -1.84659 7.2726 TIMING: 4863000 CPU: 14629.3, 0.00306906/step Wall: 14629.3, 0.00306906/step, 0.116795 hours remaining, 209.195312 MB of memory in use. ENERGY: 4863000 744.7149 2024.9381 1944.7926 103.6242 -205946.2420 17635.1856 0.0000 0.0000 34387.9078 -149105.0787 300.3182 -183492.9865 -149006.1194 299.7469 -121.4163 -89.0927 557121.8099 -4.3408 -4.2062 PRESSURE: 4863200 -66.5512 102.122 8.46107 102.121 -176.778 15.0786 8.46026 15.0777 -95.472 GPRESSURE: 4863200 -8.63027 102.203 -39.2992 41.1665 -129.605 -54.3779 60.6662 41.3338 -113.849 PRESSAVG: 4863200 -18.5615 12.4287 -29.0247 12.4287 34.3466 -28.6455 -29.0247 -28.6455 -8.39698 GPRESSAVG: 4863200 -18.4002 12.4137 -27.0729 9.71541 35.3508 -28.5654 -28.0113 -27.6378 -9.67229 TIMING: 4863200 CPU: 14629.9, 0.00304646/step Wall: 14629.9, 0.00304646/step, 0.115765 hours remaining, 209.261719 MB of memory in use. ENERGY: 4863200 759.4935 2118.8935 1944.9354 112.5092 -206170.6830 17855.5820 0.0000 0.0000 34223.9639 -149155.3057 298.8864 -183379.2695 -149053.9549 299.7255 -112.9336 -84.0280 559598.8673 2.4627 2.4261 PRESSURE: 4863400 -243.953 104.648 36.7522 104.647 -77.847 -137.372 36.7517 -137.372 6.14447 GPRESSURE: 4863400 -225.575 165.076 104.965 130.5 -2.10125 -35.9799 62.0681 -192.91 0.614185 PRESSAVG: 4863400 -25.7981 12.1747 2.81019 12.1747 -27.2819 17.5771 2.81014 17.5771 36.6726 GPRESSAVG: 4863400 -25.8585 12.4805 4.97195 12.5083 -28.4145 16.7215 -0.498392 17.3095 38.1023 TIMING: 4863400 CPU: 14630.5, 0.0030219/step Wall: 14630.5, 0.0030219/step, 0.114664 hours remaining, 209.261719 MB of memory in use. ENERGY: 4863400 757.7101 2025.7008 1946.2598 113.6281 -206028.1720 17875.2048 0.0000 0.0000 34193.4054 -149116.2630 298.6195 -183309.6684 -149017.8004 298.8994 -105.2184 -75.6874 559445.3108 -5.4691 -5.3902 PRESSURE: 4863600 -372.476 77.993 -133.076 77.9949 -47.5221 -93.6881 -133.078 -93.688 148.984 GPRESSURE: 4863600 -299.588 -23.5682 -110.063 213.02 -77.006 -96.8714 -189.253 -27.3097 193.749 PRESSAVG: 4863600 -87.4694 -28.4155 -10.1091 -28.4155 17.0424 -31.2082 -10.1091 -31.2082 108.323 GPRESSAVG: 4863600 -86.9314 -28.1975 -10.768 -27.7491 17.7108 -30.2832 -7.44212 -32.1459 106.711 TIMING: 4863600 CPU: 14631.1, 0.00302441/step Wall: 14631.1, 0.00302441/step, 0.114591 hours remaining, 209.261719 MB of memory in use. ENERGY: 4863600 753.7175 2081.2570 1928.5639 122.1588 -206285.6587 17708.7969 0.0000 0.0000 34392.6844 -149298.4802 300.3599 -183691.1646 -149194.7954 298.8984 -90.3380 -60.9485 558561.1936 12.6321 12.4968 PRESSURE: 4863800 9.21637 -150.423 -118.506 -150.423 -46.4177 12.6768 -118.506 12.6773 224.9 GPRESSURE: 4863800 35.0861 -105.798 -167.875 -167.649 46.9583 -50.8379 -112.944 59.2805 202.514 PRESSAVG: 4863800 -35.3834 -62.5715 -47.7242 -62.5716 -3.05679 -10.4687 -47.7241 -10.4685 59.1108 GPRESSAVG: 4863800 -36.1635 -63.1753 -49.7275 -61.3477 -3.37685 -9.44455 -48.6185 -9.51317 59.5756 TIMING: 4863800 CPU: 14631.7, 0.00302928/step Wall: 14631.7, 0.00302927/step, 0.114608 hours remaining, 209.261719 MB of memory in use. ENERGY: 4863800 771.5482 2061.3414 1944.6861 124.4813 -206480.7932 17958.3367 0.0000 0.0000 34400.6163 -149219.7832 300.4291 -183620.3995 -149121.7060 298.9826 62.5663 94.8526 556906.1339 6.8902 6.6784 PRESSURE: 4864000 -155.411 -89.9982 -158.888 -89.9978 100.049 -40.3931 -158.888 -40.3921 -29.5914 GPRESSURE: 4864000 -144.339 -109.855 -85.014 -50.157 109.515 -10.1745 -132.559 -95.4697 48.009 PRESSAVG: 4864000 -59.2135 -20.3627 -28.2069 -20.3626 41.2873 15.2803 -28.2069 15.2802 59.3657 GPRESSAVG: 4864000 -60.069 -20.2092 -24.5266 -20.7514 40.7742 15.4777 -29.2099 13.279 60.0524 TIMING: 4864000 CPU: 14632.3, 0.00302251/step Wall: 14632.3, 0.00302251/step, 0.114184 hours remaining, 209.261719 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: 4864000 758.2101 2051.6136 1927.0729 114.7983 -205965.7819 17628.8468 0.0000 0.0000 34166.5490 -149318.6911 298.3850 -183485.2402 -149219.1199 299.5027 -28.3180 4.3952 557735.4168 13.8132 13.5859 PRESSURE: 4864200 -160.159 -5.67126 -42.3395 -5.67247 116.445 -75.7305 -42.3404 -75.7307 -177.143 GPRESSURE: 4864200 -102.358 17.5023 23.9214 -47.9287 124.737 -43.4096 -97.7112 -126.369 -149.976 PRESSAVG: 4864200 -45.6521 -6.67649 -59.2711 -6.67657 49.0637 -31.7825 -59.2712 -31.7825 6.19056 GPRESSAVG: 4864200 -45.2538 -7.35152 -62.9702 -7.42755 49.9248 -34.6661 -55.5651 -28.1571 5.26376 TIMING: 4864200 CPU: 14632.9, 0.00304543/step Wall: 14632.9, 0.00304543/step, 0.11488 hours remaining, 209.261719 MB of memory in use. ENERGY: 4864200 745.0475 2034.1593 1926.4585 109.1459 -205976.8156 17633.1418 0.0000 0.0000 34165.8778 -149362.9848 298.3791 -183528.8626 -149261.5334 299.0338 -73.6188 -42.5324 557728.9464 3.2007 3.3116 LDB: ============= START OF LOAD BALANCING ============== 14636.4 LDB: ============== END OF LOAD BALANCING =============== 14636.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14636.4 LDB: ============= START OF LOAD BALANCING ============== 14636.7 LDB: Largest compute 4820 load 0.026393 is 22.3% of average load 0.118117 LDB: Average compute 0.001720 is 1.5% of average load 0.118117 LDB: TIME 14636.7 LOAD: AVG 0.118117 MAX 0.219221 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.422 MB LDB: TIME 14636.7 LOAD: AVG 0.118117 MAX 0.219221 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.625 MB LDB: TIME 14636.7 LOAD: AVG 0.118117 MAX 0.219221 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.625 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14636.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14636.7 PRESSURE: 4864400 -239.007 -105.561 -49.0514 -105.56 -114.734 -138.241 -49.0522 -138.241 -266.453 GPRESSURE: 4864400 -210.7 -99.2469 3.53833 -74.2244 -120.371 -202.59 -7.32358 -31.5146 -197.38 PRESSAVG: 4864400 -50.4519 52.0531 -11.9092 52.0531 30.4609 -50.2563 -11.9092 -50.2562 -6.89037 GPRESSAVG: 4864400 -50.8858 53.7724 -10.8897 53.6796 28.9779 -49.4375 -15.9715 -51.9884 -5.59119 TIMING: 4864400 CPU: 14633.6, 0.00310362/step Wall: 14633.6, 0.00310362/step, 0.116903 hours remaining, 207.031250 MB of memory in use. ENERGY: 4864400 779.7507 2058.1621 1929.8104 96.8063 -205990.4589 17496.2912 0.0000 0.0000 34153.1066 -149476.5316 298.2676 -183629.6382 -149380.7261 299.0785 -206.7313 -176.1507 556991.7615 -8.9605 -9.1664 PRESSURE: 4864600 -0.640174 -25.6282 17.9329 -25.6291 60.5393 10.6095 17.9331 10.6095 -22.0529 GPRESSURE: 4864600 32.449 50.8311 95.1464 45.3218 83.1584 -8.45087 40.5243 45.7432 37.1022 PRESSAVG: 4864600 -13.6457 24.5877 -16.3083 24.5877 19.3348 -44.8142 -16.3084 -44.8143 5.05133 GPRESSAVG: 4864600 -13.1069 24.9252 -15.2769 23.9909 20.0058 -44.3942 -15.6417 -43.1941 4.93995 TIMING: 4864600 CPU: 14634.2, 0.0030097/step Wall: 14634.2, 0.0030097/step, 0.113198 hours remaining, 207.031250 MB of memory in use. ENERGY: 4864600 762.7471 2106.2947 1912.5553 110.8379 -206468.5030 17832.7102 0.0000 0.0000 34081.7876 -149661.5702 297.6447 -183743.3578 -149574.8809 297.7257 12.6154 50.9032 556164.5803 3.5802 3.9463 PRESSURE: 4864800 -165.022 22.4395 22.3309 22.4398 -16.8869 -7.69469 22.3308 -7.6963 -166.314 GPRESSURE: 4864800 -107.792 95.8813 22.5206 7.47476 -11.9981 5.70372 36.1411 62.8722 -139.28 PRESSAVG: 4864800 -53.8953 20.8699 32.2145 20.8699 64.869 7.2274 32.2145 7.22749 0.278958 GPRESSAVG: 4864800 -52.8156 21.4308 32.1622 18.6409 63.9699 9.3939 32.8357 4.40263 -0.293233 TIMING: 4864800 CPU: 14634.8, 0.00303946/step Wall: 14634.8, 0.00303946/step, 0.114149 hours remaining, 207.031250 MB of memory in use. ENERGY: 4864800 752.5284 2058.8837 1927.3660 113.1293 -206344.8291 17738.1903 0.0000 0.0000 34104.0406 -149650.6908 297.8391 -183754.7314 -149561.7441 297.2232 -116.0742 -86.3566 557093.1742 3.7509 3.6204 PRESSURE: 4865000 45.7426 163.384 -44.6905 163.386 270.549 -14.404 -44.6901 -14.4038 179.327 GPRESSURE: 4865000 -2.04708 121.488 58.3174 182.452 345.164 76.4182 -151.26 -31.2066 249.801 PRESSAVG: 4865000 -6.39997 -3.67632 -23.269 -3.67633 -44.4786 -50.9182 -23.269 -50.9182 36.6903 GPRESSAVG: 4865000 -8.6655 -6.53455 -23.7219 -2.05241 -43.525 -51.7957 -22.8004 -49.2443 37.5788 TIMING: 4865000 CPU: 14635.4, 0.00304094/step Wall: 14635.4, 0.00304095/step, 0.114035 hours remaining, 207.031250 MB of memory in use. ENERGY: 4865000 731.0848 2082.4806 1912.8674 109.3201 -206961.1851 18360.7187 0.0000 0.0000 34126.7149 -149637.9987 298.0371 -183764.7135 -149546.5604 297.6979 165.2061 197.6394 556459.6175 -4.7294 -4.8706 PRESSURE: 4865200 236.911 -22.2685 37.1311 -22.269 243.251 27.1856 37.1306 27.1849 474.159 GPRESSURE: 4865200 251.969 7.2667 69.714 -15.7969 319.78 24.7628 18.073 53.9031 491.15 PRESSAVG: 4865200 -0.370735 -9.57984 -13.6447 -9.57981 28.5215 17.6412 -13.6447 17.6413 6.05264 GPRESSAVG: 4865200 0.522325 -8.55129 -14.7278 -11.303 28.5789 15.874 -15.3844 18.4002 5.3033 TIMING: 4865200 CPU: 14636, 0.00305767/step Wall: 14636, 0.00305767/step, 0.114493 hours remaining, 207.031250 MB of memory in use. ENERGY: 4865200 717.1370 2050.5727 1961.5736 120.6419 -207140.6103 18511.7565 0.0000 0.0000 34187.4287 -149591.4997 298.5673 -183778.9284 -149492.6850 298.2097 318.1073 354.2996 557807.3830 11.4011 11.4682 PRESSURE: 4865400 -233.319 -182.848 261.3 -182.849 -103.339 -7.60652 261.301 -7.60722 69.8002 GPRESSURE: 4865400 -206.688 -181.535 293.957 -130.417 -23.542 97.1789 197.008 10.4357 66.8563 PRESSAVG: 4865400 -63.5603 -42.2926 83.1639 -42.2926 15.4486 27.6109 83.164 27.6109 44.9119 GPRESSAVG: 4865400 -62.5596 -42.5678 85.9901 -40.5223 15.4929 28.0211 83.6862 27.5243 44.5702 TIMING: 4865400 CPU: 14636.6, 0.00304856/step Wall: 14636.6, 0.00304856/step, 0.113982 hours remaining, 207.031250 MB of memory in use. ENERGY: 4865400 762.6934 2085.6169 1900.6541 118.0147 -206808.4663 17849.2539 0.0000 0.0000 34467.1797 -149625.0536 301.0105 -184092.2334 -149524.4776 298.6631 -88.9527 -54.4579 556335.0946 -1.0666 -0.8321 PRESSURE: 4865600 63.0843 -66.1569 75.4688 -66.1566 195.546 -218.655 75.4689 -218.655 322.908 GPRESSURE: 4865600 90.2611 -39.2503 70.8998 -69.7505 246.571 -196.59 118.654 -208.617 349.499 PRESSAVG: 4865600 -15.4962 6.45193 58.5565 6.45192 -30.6736 -29.7108 58.5565 -29.7109 48.1232 GPRESSAVG: 4865600 -16.648 6.2142 58.5314 7.08453 -30.3652 -29.6463 60.1493 -30.8012 49.3035 TIMING: 4865600 CPU: 14637.2, 0.0030678/step Wall: 14637.2, 0.0030678/step, 0.114531 hours remaining, 207.031250 MB of memory in use. ENERGY: 4865600 707.7328 2113.9691 1937.3900 113.8837 -206816.9730 18041.9686 0.0000 0.0000 34293.3420 -149608.6869 299.4923 -183902.0289 -149514.8069 298.2840 193.8459 228.7770 555393.4796 0.6512 0.7634 PRESSURE: 4865800 -205.123 102.303 -312.425 102.305 -445.698 7.96255 -312.427 7.9643 -149.75 GPRESSURE: 4865800 -112.098 3.47198 -271.319 138.634 -422.486 50.0609 -394.705 -22.0265 -161.111 PRESSAVG: 4865800 35.543 -40.7721 -28.0655 -40.7722 -6.05913 -0.679241 -28.0655 -0.679397 -55.1945 GPRESSAVG: 4865800 36.3173 -40.4566 -28.4296 -42.159 -6.62489 2.19478 -28.9572 -2.39185 -55.4178 TIMING: 4865800 CPU: 14637.8, 0.00305153/step Wall: 14637.8, 0.00305153/step, 0.113754 hours remaining, 207.031250 MB of memory in use. ENERGY: 4865800 757.5297 2115.9968 1930.5611 110.4932 -205978.0664 17419.4936 0.0000 0.0000 34054.0858 -149589.9062 297.4028 -183643.9920 -149491.2679 298.3682 -266.8571 -231.8981 556850.7396 -8.5702 -8.5751 PRESSURE: 4866000 147.412 30.8657 115.358 30.866 206.839 9.95334 115.357 9.95289 53.9758 GPRESSURE: 4866000 155.908 33.9842 90.7504 68.269 286.19 78.061 80.7646 54.3611 76.3605 PRESSAVG: 4866000 11.1206 9.67151 -34.9843 9.67153 -0.0302927 -12.8626 -34.9843 -12.8626 -8.77405 GPRESSAVG: 4866000 10.6909 9.09255 -35.1892 8.76554 -1.0588 -12.6283 -35.1152 -13.801 -7.77004 TIMING: 4866000 CPU: 14638.4, 0.00305112/step Wall: 14638.4, 0.00305112/step, 0.113569 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: 4866000 738.8124 2032.4086 1942.7226 112.4037 -206457.6497 17866.0728 0.0000 0.0000 34262.3501 -149502.8794 299.2216 -183765.2295 -149403.1518 298.0324 136.0754 172.8194 554179.1760 0.7721 0.6207 PRESSURE: 4866200 25.2604 139.11 36.3526 139.11 75.275 35.6663 36.3525 35.6676 137.859 GPRESSURE: 4866200 54.159 101.619 156.289 103.034 61.0217 88.4803 9.57927 38.3309 219.275 PRESSAVG: 4866200 8.77745 12.8397 8.50456 12.8396 -1.29586 4.84885 8.50453 4.8488 -16.5036 GPRESSAVG: 4866200 8.8606 13.8858 7.74258 13.5072 -0.189949 2.47263 8.59237 7.13224 -16.9711 TIMING: 4866200 CPU: 14639, 0.00303548/step Wall: 14639, 0.00303548/step, 0.112819 hours remaining, 207.031250 MB of memory in use. ENERGY: 4866200 744.2891 2051.2056 1929.1130 115.4077 -206439.6548 17910.9278 0.0000 0.0000 34162.8058 -149525.9059 298.3523 -183688.7117 -149425.1033 299.0051 79.4647 111.4853 555061.2255 -3.0073 -2.7668 PRESSURE: 4866400 298.954 -49.5968 46.8699 -49.5952 -119.805 22.9724 46.871 22.9715 -41.4632 GPRESSURE: 4866400 310.441 -75.2261 153.248 50.5288 -100.199 -14.1571 -4.20525 52.3552 11.8524 PRESSAVG: 4866400 48.5993 -3.24709 49.6696 -3.2471 -32.2132 0.71172 49.6696 0.711776 7.40456 GPRESSAVG: 4866400 48.94 -5.08634 51.0138 -2.30648 -33.0714 0.423221 50.1788 3.52907 8.13661 TIMING: 4866400 CPU: 14639.7, 0.00307158/step Wall: 14639.7, 0.00307158/step, 0.11399 hours remaining, 207.031250 MB of memory in use. ENERGY: 4866400 764.3206 2070.7976 1936.8153 113.7664 -207045.4411 18119.6104 0.0000 0.0000 34442.1627 -149597.9680 300.7920 -184040.1307 -149503.3879 298.6654 45.8952 74.0317 554743.2600 7.9302 8.0017 PRESSURE: 4866600 -105.651 157.497 -87.9469 157.497 146.727 -63.5103 -87.9467 -63.5117 -19.5002 GPRESSURE: 4866600 -44.3074 212.871 -73.1586 83.2062 157.611 -56.1866 -9.57155 -94.599 15.334 PRESSAVG: 4866600 3.8871 15.5055 21.907 15.5054 57.0836 -23.7001 21.907 -23.7001 -18.6541 GPRESSAVG: 4866600 4.28079 15.8494 22.0723 14.9816 57.5553 -23.916 22.3175 -27.3165 -19.9718 TIMING: 4866600 CPU: 14640.3, 0.00307214/step Wall: 14640.3, 0.00307214/step, 0.11384 hours remaining, 207.031250 MB of memory in use. ENERGY: 4866600 752.1733 2059.1884 1934.4194 120.5283 -206657.4793 18056.0627 0.0000 0.0000 34267.1674 -149467.9399 299.2637 -183735.1072 -149369.9879 298.8129 7.1918 42.8792 556022.2052 14.1055 13.9548 PRESSURE: 4866800 -164.99 34.2646 48.1516 34.2652 -15.2404 -35.2522 48.1513 -35.2527 -55.3516 GPRESSURE: 4866800 -113.203 43.4496 41.7042 -3.11875 7.97031 -54.7977 107.372 12.5049 -42.9979 PRESSAVG: 4866800 -22.3279 39.5702 -59.0096 39.5703 9.28253 -36.2634 -59.0095 -36.2634 7.26808 GPRESSAVG: 4866800 -22.9476 41.9397 -59.8105 37.5303 9.50404 -36.5831 -60.3454 -36.0339 7.52032 TIMING: 4866800 CPU: 14640.9, 0.0030688/step Wall: 14640.9, 0.0030688/step, 0.113546 hours remaining, 207.031250 MB of memory in use. ENERGY: 4866800 767.8730 2068.9071 1931.9070 111.6894 -206007.4096 17621.3903 0.0000 0.0000 34014.8291 -149490.8136 297.0600 -183505.6428 -149400.6939 299.7545 -78.5273 -49.4102 555327.7865 -1.9258 -1.9744 PRESSURE: 4867000 11.675 -99.693 199.596 -99.6927 -46.3195 -29.6383 199.596 -29.6381 -52.3727 GPRESSURE: 4867000 67.0328 -122.109 177.233 -97.6633 -69.5034 -80.0324 282.888 65.9168 22.8056 PRESSAVG: 4867000 -5.75813 21.0271 -38.9005 21.0272 10.4661 26.1597 -38.9006 26.1598 1.8037 GPRESSAVG: 4867000 -5.26739 19.4703 -37.6002 23.4862 9.93448 27.8913 -38.2692 27.2066 1.91067 TIMING: 4867000 CPU: 14641.5, 0.00305266/step Wall: 14641.5, 0.00305266/step, 0.112779 hours remaining, 207.031250 MB of memory in use. ENERGY: 4867000 763.6839 2023.2071 1923.5436 108.1553 -206027.0981 17602.1613 0.0000 0.0000 34233.2047 -149373.1421 298.9671 -183606.3468 -149277.8104 298.7188 -29.0057 6.7783 556878.7378 2.1705 2.1926 PRESSURE: 4867200 130.308 52.293 50.1182 52.2939 134.55 -7.51443 50.1191 -7.51481 -186.624 GPRESSURE: 4867200 141.139 82.1934 102.227 9.87557 139.922 -2.74199 57.6756 -93.1673 -113.226 PRESSAVG: 4867200 -18.1582 12.7309 33.8982 12.7309 30.0564 -63.3812 33.8982 -63.3812 7.88527 GPRESSAVG: 4867200 -18.189 12.7936 34.0222 11.8528 29.4048 -62.4106 33.2825 -63.9884 8.08487 TIMING: 4867200 CPU: 14642.1, 0.0030774/step Wall: 14642.1, 0.0030774/step, 0.113522 hours remaining, 207.031250 MB of memory in use. ENERGY: 4867200 729.0464 2033.7281 1962.3926 115.7661 -206611.0152 18061.0627 0.0000 0.0000 34302.2782 -149406.7410 299.5703 -183709.0192 -149311.4022 298.3880 26.0783 55.9450 557012.0168 6.5945 6.4336 PRESSURE: 4867400 95.3209 114.068 135.642 114.067 327.221 114.228 135.641 114.23 115.507 GPRESSURE: 4867400 129.597 165.867 81.9742 107.23 333.46 202.197 144.308 135.59 157.836 PRESSAVG: 4867400 22.2526 -5.79739 47.3907 -5.79735 -35.7172 7.12301 47.3909 7.12305 25.5394 GPRESSAVG: 4867400 22.4544 -7.59239 48.3609 -4.33781 -35.3503 6.79919 47.5315 7.88133 25.0093 TIMING: 4867400 CPU: 14642.7, 0.00307434/step Wall: 14642.7, 0.00307434/step, 0.113238 hours remaining, 207.031250 MB of memory in use. ENERGY: 4867400 738.9557 2067.5433 1938.2453 125.8328 -206439.8632 18037.1910 0.0000 0.0000 34133.5376 -149398.5575 298.0967 -183532.0950 -149314.7146 298.9242 179.3493 206.9641 556277.0048 4.0249 4.0378 PRESSURE: 4867600 -121.541 110.595 122.865 110.595 -144.324 -44.4386 122.863 -44.4391 9.10668 GPRESSURE: 4867600 -98.8053 141.35 78.2485 143.368 -104.278 -75.505 128.225 -70.5322 43.8905 PRESSAVG: 4867600 -13.1812 18.5337 21.8493 18.5337 50.075 24.6179 21.8492 24.618 -29.8875 GPRESSAVG: 4867600 -11.9907 19.4933 20.1643 16.8841 49.8223 24.1039 22.7099 25.7152 -30.705 TIMING: 4867600 CPU: 14643.3, 0.00307814/step Wall: 14643.3, 0.00307814/step, 0.113207 hours remaining, 207.031250 MB of memory in use. ENERGY: 4867600 743.6623 2127.1490 1935.4537 104.4039 -206301.8975 17915.8306 0.0000 0.0000 34134.2192 -149341.1788 298.1026 -183475.3979 -149248.3307 298.2354 -85.5861 -53.0643 558944.4762 2.3354 2.3755 PRESSURE: 4867800 -245.958 17.8915 -53.522 17.8928 56.5116 -9.85572 -53.522 -9.8564 42.1269 GPRESSURE: 4867800 -227.074 36.0083 -65.2597 70.7016 70.3795 77.6478 -113.299 -121.885 106.169 PRESSAVG: 4867800 59.9993 -9.55332 -12.0678 -9.55337 -1.76985 17.8323 -12.0678 17.8324 -8.85833 GPRESSAVG: 4867800 59.621 -8.28815 -13.0673 -9.59982 -1.21289 17.9207 -12.0528 16.2552 -9.0563 TIMING: 4867800 CPU: 14644, 0.00306883/step Wall: 14644, 0.00306883/step, 0.112694 hours remaining, 207.031250 MB of memory in use. ENERGY: 4867800 748.8741 2086.0220 1926.1612 124.8915 -206590.7036 17921.1570 0.0000 0.0000 34585.2602 -149198.3377 302.0417 -183783.5978 -149100.5874 299.2979 -49.1064 -16.8419 558221.6081 16.4570 16.4506 PRESSURE: 4868000 -106.522 151.195 91.5704 151.195 -111.026 -16.0745 91.5701 -16.0755 -334.227 GPRESSURE: 4868000 -73.8399 148.968 87.7386 133.62 -41.0354 -103.479 87.4095 -10.8787 -341.334 PRESSAVG: 4868000 -15.8876 -1.49215 -27.8643 -1.49229 73.2432 -24.3907 -27.8642 -24.3907 -21.1682 GPRESSAVG: 4868000 -16.0746 -2.00633 -26.3011 -3.27913 73.2343 -23.8293 -28.009 -25.919 -20.9847 TIMING: 4868000 CPU: 14644.6, 0.00303744/step Wall: 14644.6, 0.00303744/step, 0.111373 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: 4868000 759.0186 2070.8312 1944.2525 121.3514 -205702.3343 17422.6535 0.0000 0.0000 34294.6726 -149089.5546 299.5039 -183384.2272 -148997.0773 299.4057 -183.9248 -152.0697 557574.4350 12.0625 12.0583 PRESSURE: 4868200 104.131 -147.728 -44.5274 -147.727 122.92 179.276 -44.5278 179.274 -38.0227 GPRESSURE: 4868200 98.0481 -27.3136 -83.9547 -151.574 117.498 226.186 2.53232 105.107 67.1901 PRESSAVG: 4868200 46.05 25.2012 10.4491 25.2011 28.4755 -24.1224 10.4491 -24.1223 -46.4759 GPRESSAVG: 4868200 45.9493 26.268 7.86694 23.5231 27.1347 -24.3771 11.5943 -22.4489 -45.279 TIMING: 4868200 CPU: 14645.2, 0.00302454/step Wall: 14645.2, 0.00302454/step, 0.110732 hours remaining, 207.031250 MB of memory in use. ENERGY: 4868200 714.3292 2062.9037 1948.2690 113.3369 -205913.5225 17828.1476 0.0000 0.0000 34214.0114 -149032.5247 298.7995 -183246.5360 -148940.1691 299.8138 63.0094 94.2453 558148.0982 9.3499 9.2684 LDB: ============= START OF LOAD BALANCING ============== 14648.6 LDB: ============== END OF LOAD BALANCING =============== 14648.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14648.6 LDB: ============= START OF LOAD BALANCING ============== 14648.9 LDB: Largest compute 4820 load 0.025207 is 21.3% of average load 0.118163 LDB: Average compute 0.001718 is 1.5% of average load 0.118163 LDB: TIME 14648.9 LOAD: AVG 0.118163 MAX 0.21595 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.801 MB LDB: TIME 14648.9 LOAD: AVG 0.118163 MAX 0.21595 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.004 MB LDB: TIME 14648.9 LOAD: AVG 0.118163 MAX 0.21595 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.004 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14648.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14648.9 PRESSURE: 4868400 -275.157 -33.7026 -17.3949 -33.7013 -1.5212 -123.141 -17.397 -123.14 -32.1294 GPRESSURE: 4868400 -286.42 -45.1025 -32.5579 -74.4121 85.9542 -60.2292 73.9498 -133.777 -17.648 PRESSAVG: 4868400 -22.9645 1.47384 45.8059 1.47383 52.1436 11.945 45.8059 11.945 -52.2128 GPRESSAVG: 4868400 -22.4935 0.123011 47.0914 2.96871 52.9392 12.03 46.8944 12.5381 -53.4823 TIMING: 4868400 CPU: 14645.8, 0.00308473/step Wall: 14645.8, 0.00308473/step, 0.112764 hours remaining, 208.191406 MB of memory in use. ENERGY: 4868400 755.0753 2074.8455 1926.7932 119.4823 -205594.9008 17522.7254 0.0000 0.0000 34342.7734 -148853.2057 299.9240 -183195.9791 -148759.7826 300.1018 -102.9359 -72.7045 558893.0542 -7.6779 -7.6789 PRESSURE: 4868600 28.4898 82.4271 -28.0413 82.4269 73.8189 -111.323 -28.0402 -111.323 77.1438 GPRESSURE: 4868600 89.9337 107.835 -93.0277 33.8745 66.35 -56.5522 93.4652 -83.0635 124.886 PRESSAVG: 4868600 -8.14547 -32.9758 14.0099 -32.9757 43.7545 -26.0465 14.0098 -26.0466 -30.7228 GPRESSAVG: 4868600 -8.04961 -32.6945 16.0494 -31.486 43.6974 -26.6376 12.0698 -25.6034 -30.7152 TIMING: 4868600 CPU: 14646.4, 0.00303442/step Wall: 14646.4, 0.00303442/step, 0.110756 hours remaining, 208.300781 MB of memory in use. ENERGY: 4868600 740.4323 2100.7327 1929.5035 99.6762 -205845.0539 17817.9027 0.0000 0.0000 34315.4748 -148841.3317 299.6856 -183156.8065 -148745.9352 300.0846 59.8175 93.7232 556739.3353 1.6287 1.6442 PRESSURE: 4868800 47.6272 79.1989 -49.7585 79.1988 153.581 23.0153 -49.7571 23.0154 88.6286 GPRESSURE: 4868800 50.5284 77.5278 -70.3702 56.6251 221.668 3.31194 18.0791 -37.2794 116.841 PRESSAVG: 4868800 -15.0007 -40.3407 55.5972 -40.3408 -5.22841 -15.9058 55.5972 -15.9057 46.2531 GPRESSAVG: 4868800 -14.1523 -40.3757 55.5455 -40.9253 -5.12647 -13.9472 54.4865 -16.9002 46.0424 TIMING: 4868800 CPU: 14647, 0.00302685/step Wall: 14647, 0.00302685/step, 0.110312 hours remaining, 208.300781 MB of memory in use. ENERGY: 4868800 735.3925 2106.8751 1926.6834 111.8800 -206147.1418 17895.0576 0.0000 0.0000 34403.9297 -148967.3234 300.4581 -183371.2531 -148870.2082 299.7905 96.6121 129.6789 556836.5833 8.6746 8.9212 PRESSURE: 4869000 134.374 -45.386 77.5549 -45.3872 134.554 16.4439 77.5549 16.4432 6.18774 GPRESSURE: 4869000 193.995 -77.6308 -1.81961 -94.3132 136.755 46.1226 57.3491 2.79986 31.5436 PRESSAVG: 4869000 -14.2967 -72.1724 -19.4567 -72.1724 56.4384 -10.6256 -19.4568 -10.6256 -15.1293 GPRESSAVG: 4869000 -15.1186 -72.7546 -20.5766 -71.9987 56.5873 -10.5736 -17.667 -11.0388 -14.4749 TIMING: 4869000 CPU: 14647.6, 0.00303931/step Wall: 14647.6, 0.00303931/step, 0.110597 hours remaining, 208.300781 MB of memory in use. ENERGY: 4869000 728.2901 2150.0208 1918.7019 103.2700 -206266.8084 17783.7377 0.0000 0.0000 34487.6974 -149095.0904 301.1896 -183582.7878 -149001.3195 300.3294 91.7053 120.7643 556868.0307 9.0041 8.9979 PRESSURE: 4869200 -121.136 12.2369 4.02718 12.2372 -116.796 -21.0762 4.02711 -21.075 -99.2912 GPRESSURE: 4869200 -78.0707 4.4338 29.8367 18.1814 -102.673 55.7574 3.26475 -46.978 -64.3061 PRESSAVG: 4869200 8.00624 -1.24123 -20.5416 -1.24132 54.0866 24.6655 -20.5417 24.6656 -30.9098 GPRESSAVG: 4869200 7.72016 -1.46389 -21.7052 -1.06488 55.362 25.7116 -20.5109 23.9596 -32.0644 TIMING: 4869200 CPU: 14648.2, 0.00302212/step Wall: 14648.2, 0.00302212/step, 0.109804 hours remaining, 208.300781 MB of memory in use. ENERGY: 4869200 732.9666 2115.6120 1935.2877 100.1582 -205844.2804 17566.1977 0.0000 0.0000 34191.1519 -149202.9062 298.5998 -183394.0581 -149109.0875 299.2648 -112.4080 -81.6833 557624.8619 10.3943 10.3393 PRESSURE: 4869400 74.9933 227.177 146.617 227.178 -171.137 -64.246 146.617 -64.2468 137.427 GPRESSURE: 4869400 121.549 253.969 223.35 198.658 -144.953 -52.7773 156.897 -46.4977 165.867 PRESSAVG: 4869400 23.8256 16.276 63.3112 16.2761 -3.44874 25.9387 63.3112 25.9387 35.3345 GPRESSAVG: 4869400 24.0747 16.8548 64.9813 16.3664 -3.20412 24.2104 62.8023 27.1514 35.0027 TIMING: 4869400 CPU: 14648.8, 0.00302418/step Wall: 14648.8, 0.00302418/step, 0.10971 hours remaining, 208.300781 MB of memory in use. ENERGY: 4869400 732.0982 2112.9650 1914.6861 115.4974 -205971.8836 17682.6958 0.0000 0.0000 34273.7951 -149140.1461 299.3216 -183413.9412 -149036.2138 299.4447 13.7610 47.4876 556507.7368 18.5704 18.6244 PRESSURE: 4869600 35.333 -182.029 -17.8261 -182.029 19.4926 -40.8711 -17.8261 -40.8732 158.536 GPRESSURE: 4869600 130.069 -138.491 -12.9825 -200.521 15.5799 4.61303 -8.48662 -24.2072 176.998 PRESSAVG: 4869600 -17.0069 5.16999 34.8543 5.17006 -48.1849 3.0833 34.8544 3.08337 56.9143 GPRESSAVG: 4869600 -16.1237 3.31722 34.958 4.89975 -49.4925 1.2622 35.5941 3.31498 58.3987 TIMING: 4869600 CPU: 14649.4, 0.00302989/step Wall: 14649.4, 0.00302989/step, 0.109749 hours remaining, 208.300781 MB of memory in use. ENERGY: 4869600 721.6121 2034.9830 1947.6960 120.6277 -205965.1988 17814.2681 0.0000 0.0000 34224.7868 -149101.2251 298.8936 -183326.0119 -149006.2191 299.6967 71.1206 107.5490 556381.3092 -2.7592 -2.4058 PRESSURE: 4869800 -286.908 30.3805 -59.8045 30.38 -83.8377 93.4659 -59.8031 93.4645 -327.333 GPRESSURE: 4869800 -285.318 101.288 -79.7721 -23.2443 -71.0441 114.654 -96.1734 -22.8727 -239.975 PRESSAVG: 4869800 23.8666 2.69329 45.9007 2.69336 -19.6129 43.0587 45.9007 43.0586 -32.2221 GPRESSAVG: 4869800 24.0903 5.29363 45.4594 -0.384371 -20.2488 44.4011 45.4315 42.2179 -32.1356 TIMING: 4869800 CPU: 14650, 0.00302032/step Wall: 14650, 0.00302032/step, 0.109235 hours remaining, 208.300781 MB of memory in use. ENERGY: 4869800 796.5223 2033.2330 1932.1590 115.4358 -205715.3231 17456.7680 0.0000 0.0000 34308.6199 -149072.5852 299.6257 -183381.2050 -148976.3991 299.1892 -232.6930 -198.7787 557607.0842 -9.3228 -9.4314 PRESSURE: 4870000 -66.1498 68.2605 4.6487 68.2607 -263.05 18.3329 4.64974 18.331 31.8949 GPRESSURE: 4870000 -68.3415 15.5476 -70.1184 98.6418 -198.601 52.6649 -19.502 62.8116 53.6826 PRESSAVG: 4870000 6.12561 50.1984 34.2437 50.1984 -2.05681 6.25153 34.2437 6.25148 -16.1453 GPRESSAVG: 4870000 6.10408 50.1807 34.1259 52.1217 -0.34967 8.0329 33.737 7.32489 -17.6339 TIMING: 4870000 CPU: 14650.6, 0.00303964/step Wall: 14650.6, 0.00303964/step, 0.109765 hours remaining, 208.300781 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: 4870000 751.2449 2116.8007 1900.2540 94.1053 -206012.6941 17613.1281 0.0000 0.0000 34292.6099 -149244.5511 299.4859 -183537.1610 -149152.4095 299.1502 -99.1017 -71.0866 557902.5656 -4.0255 -3.9598 PRESSURE: 4870200 -270.326 78.8362 108.214 78.8358 -75.7965 145.999 108.214 146 -238.839 GPRESSURE: 4870200 -277.373 90.9732 72.4809 23.5431 -45.8731 167.28 101.239 98.4819 -155.74 PRESSAVG: 4870200 -47.358 19.0404 -38.2898 19.0403 37.6041 55.4934 -38.2899 55.4933 3.53566 GPRESSAVG: 4870200 -48.6915 15.7526 -41.2113 19.3156 37.2013 53.5955 -35.5516 54.9583 4.89451 TIMING: 4870200 CPU: 14651.2, 0.00304529/step Wall: 14651.2, 0.00304529/step, 0.1098 hours remaining, 208.300781 MB of memory in use. ENERGY: 4870200 759.5141 2056.3639 1955.8050 113.6945 -205598.8457 17450.9816 0.0000 0.0000 34060.1809 -149202.3056 297.4560 -183262.4865 -149106.7562 299.2081 -194.9870 -159.6620 558812.8748 -2.0728 -2.1985 PRESSURE: 4870400 -59.4764 -98.9521 -53.271 -98.952 72.3176 -18.554 -53.2717 -18.5536 -217.263 GPRESSURE: 4870400 -5.85786 -12.5243 -61.2147 -102.106 29.584 89.2718 29.994 -74.6037 -137.514 PRESSAVG: 4870400 -69.9087 -18.1034 9.44413 -18.1034 64.6092 1.65498 9.44412 1.65501 -34.8788 GPRESSAVG: 4870400 -69.7888 -16.8817 11.9636 -16.399 63.5098 2.15921 7.85723 1.91932 -34.085 TIMING: 4870400 CPU: 14651.8, 0.00304601/step Wall: 14651.8, 0.00304601/step, 0.109656 hours remaining, 208.300781 MB of memory in use. ENERGY: 4870400 735.0254 2107.3080 1945.0239 106.3510 -205840.1130 17632.1339 0.0000 0.0000 34332.5805 -148981.6903 299.8350 -183314.2708 -148887.7539 299.1253 -68.1405 -37.9293 556374.8511 -13.3928 -13.4547 PRESSURE: 4870600 48.5455 -44.6821 -56.8091 -44.6822 96.2495 134.17 -56.8104 134.171 -0.36756 GPRESSURE: 4870600 111.293 -199.786 -25.7438 57.6839 144.276 106.746 -88.9898 170.912 -3.85292 PRESSAVG: 4870600 -81.2408 -5.00831 3.64257 -5.00818 86.3047 -9.89517 3.64249 -9.89501 5.75449 GPRESSAVG: 4870600 -81.156 -3.71221 4.6371 -5.00653 87.954 -8.99008 4.15615 -10.1647 4.40941 TIMING: 4870600 CPU: 14652.5, 0.00302976/step Wall: 14652.5, 0.00302976/step, 0.108903 hours remaining, 208.558594 MB of memory in use. ENERGY: 4870600 706.2068 2142.6719 1931.9189 115.6005 -205781.1493 17590.6713 0.0000 0.0000 34246.8670 -149047.2131 299.0864 -183294.0801 -148949.9185 299.9020 48.1425 83.9053 555833.2744 3.6061 3.7358 PRESSURE: 4870800 -250.135 45.2323 83.9523 45.2321 -45.1097 -112.549 83.9521 -112.548 118.127 GPRESSURE: 4870800 -196.31 177.68 36.3624 52.7351 -24.927 -167.588 89.3038 -69.8572 143.014 PRESSAVG: 4870800 -14.9834 -37.3774 -10.0006 -37.3774 22.5199 42.0298 -10.0006 42.0298 -9.62849 GPRESSAVG: 4870800 -13.2467 -36.8806 -11.7583 -39.5206 21.7886 40.0682 -10.614 43.0286 -10.2257 TIMING: 4870800 CPU: 14653.1, 0.00302615/step Wall: 14653.1, 0.00302615/step, 0.108605 hours remaining, 208.558594 MB of memory in use. ENERGY: 4870800 732.6596 2053.7896 1968.7454 128.1590 -205824.3564 17536.9962 0.0000 0.0000 34447.1576 -148956.8490 300.8356 -183404.0067 -148859.2127 300.3614 -59.0394 -26.0744 557150.7655 -0.6973 -0.5613 PRESSURE: 4871000 -254.316 116.437 -72.1394 116.436 -2.614 -29.3477 -72.1373 -29.3459 37.2074 GPRESSURE: 4871000 -165.95 203.742 -54.9898 101.1 -2.69185 -54.2244 -96.3758 21.1693 33.6902 PRESSAVG: 4871000 -12.8718 46.7357 15.8018 46.7357 -0.85126 -50.3351 15.8019 -50.3351 12.2896 GPRESSAVG: 4871000 -13.9693 48.81 16.5928 47.8182 0.0698201 -50.2022 14.0872 -50.8211 12.4517 TIMING: 4871000 CPU: 14653.7, 0.00302739/step Wall: 14653.7, 0.00302739/step, 0.108482 hours remaining, 208.558594 MB of memory in use. ENERGY: 4871000 774.4943 2099.0604 1946.1360 108.7173 -205995.6354 17654.6688 0.0000 0.0000 34401.6580 -149010.9006 300.4382 -183412.5585 -148920.7904 300.6865 -73.2409 -44.9839 558322.3446 -0.4778 -0.4826 PRESSURE: 4871200 73.4427 -13.2874 58.4544 -13.288 -323.044 129.987 58.4547 129.988 -175.344 GPRESSURE: 4871200 176.281 -8.48021 -86.9552 -45.8907 -392.087 130.932 122.343 117.987 -114.314 PRESSAVG: 4871200 13.0987 51.6434 -6.23146 51.6434 29.3423 58.8992 -6.23144 58.8993 -28.281 GPRESSAVG: 4871200 12.5497 50.2919 -6.60935 51.8604 28.1824 59.8853 -3.83791 56.7551 -26.3798 TIMING: 4871200 CPU: 14654.3, 0.00303144/step Wall: 14654.3, 0.00303144/step, 0.108458 hours remaining, 208.558594 MB of memory in use. ENERGY: 4871200 731.7691 2075.3930 1950.3181 107.1953 -205886.3397 17602.1603 0.0000 0.0000 34381.0700 -149038.4339 300.2584 -183419.5039 -148945.1411 299.8347 -141.6486 -110.0400 556088.4198 4.7200 4.7841 PRESSURE: 4871400 -149.416 -17.2803 84.6195 -17.2815 -286.221 -87.7154 84.6196 -87.7153 -362.475 GPRESSURE: 4871400 -139.447 -83.9835 119.051 51.9915 -221.694 -62.4825 40.9383 -62.2397 -338.478 PRESSAVG: 4871400 76.2639 38.0867 46.3189 38.0868 -15.2028 5.44593 46.319 5.44597 -54.6924 GPRESSAVG: 4871400 75.6045 37.2672 46.9723 39.8511 -14.6732 4.73064 43.6982 6.13315 -54.1278 TIMING: 4871400 CPU: 14654.9, 0.00301426/step Wall: 14654.9, 0.00301426/step, 0.107676 hours remaining, 208.558594 MB of memory in use. ENERGY: 4871400 730.2862 2093.5868 1932.2716 116.1768 -205537.6556 17220.2315 0.0000 0.0000 34438.2758 -149006.8269 300.7580 -183445.1028 -148909.1256 300.4925 -266.0372 -233.2062 556167.7435 2.1229 2.2678 PRESSURE: 4871600 153.984 12.5817 -31.3141 12.582 -296.753 -117.122 -31.3133 -117.123 136.909 GPRESSURE: 4871600 197.566 60.6802 33.9383 -20.2451 -252.132 -99.2166 -36.4816 -66.8872 148.489 PRESSAVG: 4871600 92.881 35.4734 11.1007 35.4734 4.93719 -61.3355 11.1007 -61.3355 -75.9554 GPRESSAVG: 4871600 93.6698 36.1344 10.1515 33.6793 4.89209 -58.9701 12.8654 -60.5805 -76.1168 TIMING: 4871600 CPU: 14655.5, 0.00300659/step Wall: 14655.5, 0.00300659/step, 0.107235 hours remaining, 208.558594 MB of memory in use. ENERGY: 4871600 746.5808 2169.2880 1969.2788 126.5535 -205775.8316 17612.7671 0.0000 0.0000 34295.5398 -148855.8235 299.5115 -183151.3634 -148760.7991 300.0186 -1.9534 31.3076 555927.4867 7.2876 7.4817 PRESSURE: 4871800 -61.7888 47.1017 -2.90794 47.1014 72.0632 -146.579 -2.90716 -146.58 105.856 GPRESSURE: 4871800 -16.7799 110.051 38.6247 -38.6958 50.9833 -182.303 -31.8114 -42.3381 174.534 PRESSAVG: 4871800 89.3218 -17.5666 33.8135 -17.5665 -27.098 36.1679 33.8135 36.1678 -54.5133 GPRESSAVG: 4871800 89.5444 -19.5272 35.0623 -17.307 -26.7669 35.2019 31.4554 35.4908 -54.9805 TIMING: 4871800 CPU: 14656.1, 0.00302523/step Wall: 14656.1, 0.00302523/step, 0.107732 hours remaining, 208.558594 MB of memory in use. ENERGY: 4871800 710.4300 2094.2894 1955.1409 112.5647 -205796.6561 17639.2596 0.0000 0.0000 34336.0131 -148948.9584 299.8649 -183284.9715 -148843.4585 300.4184 38.7102 69.5792 556727.7006 2.5702 2.5990 PRESSURE: 4872000 148.17 114.489 187.896 114.49 134.866 -0.487016 187.894 -0.486767 -2.52318 GPRESSURE: 4872000 134.033 86.1794 148.757 57.2961 165.641 55.4465 162.134 -29.1404 68.3587 PRESSAVG: 4872000 73.9533 19.4076 14.1181 19.4076 -12.9327 -37.2356 14.1181 -37.2354 -42.6651 GPRESSAVG: 4872000 75.2885 20.6811 15.4783 18.6228 -13.1647 -36.5783 13.5372 -36.6926 -43.7231 TIMING: 4872000 CPU: 14656.7, 0.00303313/step Wall: 14656.7, 0.00303313/step, 0.107845 hours remaining, 208.558594 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: 4872000 734.1714 2047.6021 1967.7379 109.8279 -206046.1561 17972.6057 0.0000 0.0000 34330.4823 -148883.7288 299.8166 -183214.2111 -148786.7410 299.9483 93.5045 122.6777 558314.6451 6.1185 6.1336 PRESSURE: 4872200 256.82 64.1708 -57.029 64.1724 215.373 -87.781 -57.0293 -87.7805 176.648 GPRESSURE: 4872200 289.515 112.681 -83.4931 16.5429 206.595 -66.278 -23.7185 -215.742 240.065 PRESSAVG: 4872200 48.7187 45.681 -2.72102 45.6811 31.216 -34.159 -2.72106 -34.159 -29.9472 GPRESSAVG: 4872200 47.3557 45.235 -5.88015 46.1548 31.0081 -34.6118 0.844831 -35.3054 -28.4167 TIMING: 4872200 CPU: 14657.3, 0.00302258/step Wall: 14657.3, 0.00302258/step, 0.107302 hours remaining, 208.558594 MB of memory in use. ENERGY: 4872200 727.9424 2108.6825 1915.8255 115.7823 -206236.1764 18076.4002 0.0000 0.0000 34460.8510 -148830.6924 300.9552 -183291.5434 -148733.5529 300.3028 216.2804 245.3915 557765.9856 16.6625 16.6491 LDB: ============= START OF LOAD BALANCING ============== 14660.7 LDB: ============== END OF LOAD BALANCING =============== 14660.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14660.7 LDB: ============= START OF LOAD BALANCING ============== 14661 LDB: Largest compute 4820 load 0.025277 is 21.4% of average load 0.118128 LDB: Average compute 0.001727 is 1.5% of average load 0.118128 LDB: TIME 14661 LOAD: AVG 0.118128 MAX 0.214045 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.328 MB LDB: TIME 14661 LOAD: AVG 0.118128 MAX 0.214045 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.328 MB LDB: TIME 14661 LOAD: AVG 0.118128 MAX 0.214045 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.328 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14661 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14661 PRESSURE: 4872400 8.88381 -33.7282 155.986 -33.7288 -161.433 -111.902 155.986 -111.904 -243.563 GPRESSURE: 4872400 23.0949 -69.2839 171.322 -37.5777 -133.996 -170.636 138.532 -127.074 -183.424 PRESSAVG: 4872400 20.8442 28.6173 9.45991 28.6174 -15.824 -37.5657 9.45979 -37.5657 -38.2338 GPRESSAVG: 4872400 20.1476 28.8539 12.0022 28.7863 -15.754 -38.6571 6.3088 -36.1378 -38.0781 TIMING: 4872400 CPU: 14657.9, 0.00306596/step Wall: 14657.9, 0.00306596/step, 0.108671 hours remaining, 206.871094 MB of memory in use. ENERGY: 4872400 689.5615 2074.7162 1935.4921 115.9305 -205597.7488 17381.1710 0.0000 0.0000 34278.3503 -149122.5273 299.3614 -183400.8775 -149027.5415 299.7360 -132.0374 -98.1082 558521.0026 -11.0712 -11.2282 PRESSURE: 4872600 -3.06313 52.5594 150.766 52.5599 -61.6712 87.1093 150.766 87.1098 -58.9528 GPRESSURE: 4872600 7.33096 77.0861 242.699 108.258 7.85575 28.9909 229.969 78.5669 -50.7621 PRESSAVG: 4872600 58.2935 37.3236 17.8395 37.3236 -25.4448 -34.9989 17.8395 -34.9989 -12.1268 GPRESSAVG: 4872600 58.8698 38.7764 18.4103 36.4655 -25.6401 -32.6659 18.6718 -36.2103 -13.0962 TIMING: 4872600 CPU: 14658.5, 0.00304581/step Wall: 14658.5, 0.00304581/step, 0.107788 hours remaining, 206.871094 MB of memory in use. ENERGY: 4872600 755.8718 2059.4427 1944.6804 109.7741 -205892.9656 17523.9759 0.0000 0.0000 34206.8475 -149292.3732 298.7369 -183499.2207 -149188.8832 299.6177 -41.2290 -11.8585 554938.4236 6.9073 6.7112 PRESSURE: 4872800 224.399 20.3687 37.9631 20.3683 -152.642 3.86759 37.9615 3.86811 266.522 GPRESSURE: 4872800 263.745 52.6534 116.325 -43.842 -82.4532 16.3438 -42.482 -95.3559 253.014 PRESSAVG: 4872800 51.2628 16.3494 73.9773 16.3492 -63.9182 -5.50065 73.9772 -5.5007 -35.121 GPRESSAVG: 4872800 51.2933 14.6615 72.8575 17.3719 -64.2777 -9.55685 75.3381 -3.83155 -34.7567 TIMING: 4872800 CPU: 14659.1, 0.00303451/step Wall: 14659.1, 0.00303451/step, 0.107219 hours remaining, 206.871094 MB of memory in use. ENERGY: 4872800 730.2315 2100.7781 1937.0918 121.2549 -206243.5210 17952.3773 0.0000 0.0000 34253.3662 -149148.4212 299.1432 -183401.7874 -149063.4950 299.4547 112.7597 144.7686 556205.4805 -15.9254 -15.9137 PRESSURE: 4873000 200.097 6.34782 8.1983 6.34711 6.20089 -123.502 8.19834 -123.501 42.1721 GPRESSURE: 4873000 226.464 -56.5759 23.1478 71.4038 4.15663 -86.3542 -3.18199 -175.785 106.468 PRESSAVG: 4873000 4.97375 23.6657 -14.4789 23.6658 -12.489 -40.383 -14.479 -40.383 41.0522 GPRESSAVG: 4873000 4.84712 22.8432 -15.5293 25.7789 -12.5835 -35.4759 -16.8328 -43.0795 41.8494 TIMING: 4873000 CPU: 14659.7, 0.00300329/step Wall: 14659.7, 0.00300329/step, 0.105949 hours remaining, 206.871094 MB of memory in use. ENERGY: 4873000 740.3591 2094.3514 1924.7923 115.4369 -206478.2696 17917.1012 0.0000 0.0000 34405.2209 -149281.0080 300.4694 -183686.2288 -149184.8724 299.5600 82.8233 112.3628 557309.3722 11.1790 11.3710 PRESSURE: 4873200 26.3114 -304.371 9.40274 -304.371 212.039 168.161 9.402 168.16 293.363 GPRESSURE: 4873200 25.927 -253.583 53.8487 -277.822 241.223 93.8198 -4.90477 178.603 333.64 PRESSAVG: 4873200 5.08808 -16.445 -14.8004 -16.4451 27.1804 38.086 -14.8004 38.0859 -11.3559 GPRESSAVG: 4873200 4.60391 -13.7975 -13.9836 -18.9727 28.4496 34.5144 -13.8829 40.8997 -12.4698 TIMING: 4873200 CPU: 14660.3, 0.00301509/step Wall: 14660.3, 0.00301509/step, 0.106198 hours remaining, 206.871094 MB of memory in use. ENERGY: 4873200 755.0331 2071.5462 1959.7043 120.3795 -206391.4660 18001.6296 0.0000 0.0000 34087.0992 -149396.0740 297.6911 -183483.1733 -149303.1348 299.2449 177.2379 200.2632 556313.0997 6.9709 6.8612 PRESSURE: 4873400 -254.1 50.2039 -123.541 50.2029 -61.8347 -21.9648 -123.541 -21.9629 -72.4368 GPRESSURE: 4873400 -261.518 21.0933 -115.897 38.5746 -9.60981 -93.3887 -122.335 30.107 -20.5185 PRESSAVG: 4873400 65.0164 -15.0804 -46.8735 -15.0804 -12.6381 12.6386 -46.8735 12.6386 -18.7756 GPRESSAVG: 4873400 64.5974 -16.5295 -48.3612 -14.2048 -12.0755 13.1778 -45.7386 10.6333 -18.5675 TIMING: 4873400 CPU: 14660.9, 0.00303641/step Wall: 14660.9, 0.00303641/step, 0.106781 hours remaining, 206.871094 MB of memory in use. ENERGY: 4873400 707.9976 2064.1196 1925.1869 111.2393 -206125.2020 17655.8019 0.0000 0.0000 34326.5441 -149334.3127 299.7822 -183660.8568 -149234.3089 298.9087 -129.4571 -97.2153 557649.3235 11.2009 11.3181 PRESSURE: 4873600 -254.087 144.856 67.913 144.856 -23.4314 -44.9869 67.9124 -44.9879 -19.1677 GPRESSURE: 4873600 -187.017 171.355 31.6409 60.8806 -37.6175 -3.32254 81.0859 25.5225 27.7553 PRESSAVG: 4873600 -34.8415 -5.49187 -33.4816 -5.49173 6.10199 54.8588 -33.4816 54.8588 23.5996 GPRESSAVG: 4873600 -33.2821 -4.38353 -33.6024 -6.84556 4.21339 54.4421 -33.8242 56.0452 23.8352 TIMING: 4873600 CPU: 14661.5, 0.00304113/step Wall: 14661.5, 0.00304113/step, 0.106778 hours remaining, 206.871094 MB of memory in use. ENERGY: 4873600 773.9474 2092.7448 1944.9112 111.0763 -206303.3949 17744.6308 0.0000 0.0000 34060.5295 -149575.5548 297.4591 -183636.0843 -149478.8511 298.5004 -98.8954 -65.6265 557604.7147 -1.7133 -1.7445 PRESSURE: 4873800 345.088 -94.3594 37.7615 -94.36 107.358 -154.705 37.7622 -154.705 31.9193 GPRESSURE: 4873800 363.866 -96.2212 19.2026 -47.1576 154.948 -140.793 79.5428 -82.6394 74.3141 PRESSAVG: 4873800 4.56588 13.1694 13.1085 13.1693 8.80732 -58.7815 13.1083 -58.7816 -19.4371 GPRESSAVG: 4873800 3.04254 11.3032 13.9825 15.5273 9.99293 -55.9888 11.9324 -60.1152 -18.8109 TIMING: 4873800 CPU: 14662.1, 0.00303834/step Wall: 14662.1, 0.00303834/step, 0.106511 hours remaining, 206.871094 MB of memory in use. ENERGY: 4873800 714.7355 2152.4740 1910.9803 114.1745 -206379.1799 17974.2218 0.0000 0.0000 34017.1310 -149495.4628 297.0801 -183512.5938 -149401.7374 298.1854 161.4551 197.7092 557116.9942 -2.0213 -1.9251 PRESSURE: 4874000 -237.977 -162.964 -188.268 -162.964 65.5248 -38.1854 -188.268 -38.1847 181.952 GPRESSURE: 4874000 -196.349 -126.229 -241.582 -108.341 60.8748 -91.6558 -79.0021 -71.2212 246.273 PRESSAVG: 4874000 56.3243 -38.1897 -16.4315 -38.1898 21.8005 5.84204 -16.4314 5.84201 -25.3127 GPRESSAVG: 4874000 56.8764 -36.8194 -15.9285 -40.7557 22.0747 3.92779 -13.7192 4.89497 -26.1956 TIMING: 4874000 CPU: 14662.8, 0.00302784/step Wall: 14662.8, 0.00302784/step, 0.105974 hours remaining, 206.871094 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: 4874000 779.8130 2083.6818 1926.6022 93.5469 -205984.8239 17658.2352 0.0000 0.0000 33986.3925 -149456.5523 296.8116 -183442.9448 -149361.1772 298.0059 3.1667 36.9327 556810.3142 17.6040 17.5851 PRESSURE: 4874200 -474.411 -125.397 -29.4024 -125.396 -258.197 132.446 -29.4025 132.445 -129.116 GPRESSURE: 4874200 -444.801 -162.384 -105.973 -55.4502 -200.814 193.09 2.00778 89.4328 -122.809 PRESSAVG: 4874200 -64.775 -19.1222 23.8933 -19.1222 8.65468 28.7972 23.8931 28.7972 51.9918 GPRESSAVG: 4874200 -63.9384 -20.0808 22.2591 -18.7404 7.4799 29.3413 23.0479 28.5428 52.4338 TIMING: 4874200 CPU: 14663.4, 0.00302713/step Wall: 14663.4, 0.00302713/step, 0.105782 hours remaining, 206.871094 MB of memory in use. ENERGY: 4874200 727.0763 2143.5636 1914.6703 114.1416 -206050.3310 17641.2939 0.0000 0.0000 34057.9048 -149451.6806 297.4362 -183509.5853 -149361.3606 298.4587 -287.2414 -256.1413 559351.3964 -1.3762 -1.3416 PRESSURE: 4874400 -42.7145 50.2551 -18.138 50.2557 12.3381 -17.3813 -18.1373 -17.3829 -120.041 GPRESSURE: 4874400 -14.5903 72.9853 23.3643 97.3013 20.7608 -44.8497 -14.4252 -132.11 -54.048 PRESSAVG: 4874400 -12.4236 27.0686 13.0623 27.0686 -29.2508 33.731 13.0623 33.731 12.5422 GPRESSAVG: 4874400 -12.855 26.7875 12.5155 28.7988 -28.3608 32.5737 11.6018 33.468 11.8922 TIMING: 4874400 CPU: 14664, 0.0030532/step Wall: 14664, 0.0030532/step, 0.106523 hours remaining, 206.871094 MB of memory in use. ENERGY: 4874400 698.7822 2086.4352 1922.0866 114.2323 -206231.1898 17758.2293 0.0000 0.0000 34060.1829 -149591.2413 297.4560 -183651.4242 -149498.7938 298.3726 -50.1392 -15.9591 559073.9141 -9.7107 -9.7745 PRESSURE: 4874600 153.953 167.914 29.9684 167.914 87.3233 176.428 29.9677 176.428 -63.0971 GPRESSURE: 4874600 195.893 92.4861 73.9319 108.002 106.482 108.389 -41.9526 191.359 -13.8927 PRESSAVG: 4874600 -4.07036 -9.30845 -13.4265 -9.30854 -46.6167 -12.7754 -13.4265 -12.7755 45.4919 GPRESSAVG: 4874600 -3.71412 -9.60023 -9.34965 -11.2384 -47.5575 -13.3095 -14.9266 -11.2094 45.6321 TIMING: 4874600 CPU: 14664.6, 0.00307539/step Wall: 14664.6, 0.00307539/step, 0.107126 hours remaining, 206.871094 MB of memory in use. ENERGY: 4874600 751.8607 2001.4598 1933.1432 100.9930 -206889.0556 18207.7729 0.0000 0.0000 34219.0591 -149674.7669 298.8436 -183893.8261 -149569.9981 297.4479 59.3930 96.1608 559033.3383 -1.7317 -1.8798 PRESSURE: 4874800 -105.723 57.1561 139.748 57.1554 -112.821 -50.9564 139.747 -50.9559 -131.624 GPRESSURE: 4874800 -142.385 27.1383 135.091 32.777 -58.4516 -109.998 149.723 -7.08111 -60.1765 PRESSAVG: 4874800 -49.3659 -28.3159 44.2084 -28.3158 -66.2597 8.09652 44.2084 8.09664 120.306 GPRESSAVG: 4874800 -49.6287 -28.1124 42.4969 -26.4448 -66.6392 8.39063 46.1966 7.61807 120.829 TIMING: 4874800 CPU: 14665.2, 0.00304113/step Wall: 14665.2, 0.00304113/step, 0.105764 hours remaining, 206.871094 MB of memory in use. ENERGY: 4874800 805.6605 2104.5305 1938.1410 97.1146 -206261.8989 17749.8633 0.0000 0.0000 34117.5402 -149449.0488 297.9570 -183566.5890 -149353.2703 298.9344 -116.7229 -87.0043 557848.4892 1.5602 1.5203 PRESSURE: 4875000 152.356 15.2365 46.1623 15.2368 267.224 -40.1877 46.1627 -40.1864 18.7795 GPRESSURE: 4875000 215.298 39.4697 -39.4076 63.4689 241.152 -114.069 -28.5164 -33.4966 76.1688 PRESSAVG: 4875000 -44.5233 -31.5363 3.58443 -31.5362 34.5794 5.67404 3.5844 5.67409 12.9116 GPRESSAVG: 4875000 -45.1551 -31.6809 2.59685 -31.6364 35.4848 6.63692 2.38577 7.6561 12.4973 TIMING: 4875000 CPU: 14665.8, 0.00304282/step Wall: 14665.8, 0.00304282/step, 0.105653 hours remaining, 206.871094 MB of memory in use. ENERGY: 4875000 726.9410 2102.9227 1948.3603 103.3361 -206538.4184 18129.4656 0.0000 0.0000 34083.9692 -149443.4234 297.6638 -183527.3926 -149346.0777 299.1132 146.1198 177.5395 557002.2345 0.9893 0.9423 PRESSURE: 4875200 9.10821 138.886 -18.2284 138.887 120.948 -140.168 -18.2288 -140.169 -63.6707 GPRESSURE: 4875200 33.5376 59.6817 -56.8965 165.735 133.948 -158.686 -14.2881 -126.958 -11.4458 PRESSAVG: 4875200 -37.6649 -35.782 -56.8434 -35.7819 -5.46901 -5.38931 -56.8434 -5.38923 11.4059 GPRESSAVG: 4875200 -37.227 -35.2569 -57.0883 -35.8142 -6.00275 -5.06626 -54.1232 -6.81104 11.424 TIMING: 4875200 CPU: 14666.4, 0.0030319/step Wall: 14666.4, 0.0030319/step, 0.105106 hours remaining, 206.871094 MB of memory in use. ENERGY: 4875200 782.2376 2059.6795 1944.2384 108.3840 -206679.8104 17999.9578 0.0000 0.0000 34417.0479 -149368.2652 300.5726 -183785.3131 -149274.7645 298.5710 22.1284 52.0131 557298.7964 -10.5760 -10.6019 PRESSURE: 4875400 -262.58 161.714 -21.2825 161.712 100.625 20.4286 -21.2829 20.429 -179.646 GPRESSURE: 4875400 -132.678 124.785 -39.5178 86.8889 93.9025 -26.8937 -113.82 -28.1985 -205.079 PRESSAVG: 4875400 15.141 -8.80357 -15.1891 -8.80357 7.27036 -33.1717 -15.1893 -33.1718 -11.5962 GPRESSAVG: 4875400 15.6422 -9.9307 -15.0029 -8.37168 7.56986 -32.8521 -15.9673 -32.3193 -12.5833 TIMING: 4875400 CPU: 14667, 0.00303191/step Wall: 14667, 0.00303191/step, 0.104938 hours remaining, 206.871094 MB of memory in use. ENERGY: 4875400 779.3326 2084.1571 1926.9969 106.3229 -206432.6566 17894.2568 0.0000 0.0000 34223.8129 -149417.7773 298.8851 -183641.5902 -149319.9656 298.5261 -113.8668 -81.2848 557780.8580 3.6050 3.5429 PRESSURE: 4875600 -374.985 -4.39616 -83.0777 -4.39526 -61.3753 109.127 -83.0782 109.129 -2.41467 GPRESSURE: 4875600 -320.574 27.0775 -9.29362 -24.1297 -8.48413 109.458 -78.4514 55.7532 -8.7985 PRESSAVG: 4875600 -9.73455 -8.51952 -11.8605 -8.51943 -2.62037 -29.3085 -11.8604 -29.3085 17.4174 GPRESSAVG: 4875600 -10.6867 -7.19411 -12.7465 -9.68685 -1.58436 -29.8646 -10.4849 -30.9567 17.8451 TIMING: 4875600 CPU: 14667.6, 0.00304021/step Wall: 14667.6, 0.00304021/step, 0.105056 hours remaining, 206.871094 MB of memory in use. ENERGY: 4875600 750.6254 2116.8740 1946.9172 117.6442 -205841.3072 17630.8005 0.0000 0.0000 34155.1290 -149123.3168 298.2852 -183278.4458 -149026.9916 298.6957 -146.2582 -112.6188 558913.7046 1.6875 1.8580 PRESSURE: 4875800 -99.1251 -58.0974 11.2137 -58.0979 -50.1943 331.096 11.2139 331.095 87.5341 GPRESSURE: 4875800 -77.3237 -16.3979 42.8702 -63.0894 -23.9495 304.28 -18.7244 352.13 123.922 PRESSAVG: 4875800 7.16433 3.06266 -4.20628 3.0628 18.9553 54.5634 -4.20626 54.5633 8.48106 GPRESSAVG: 4875800 7.06069 1.97347 -1.05739 3.11648 19.0635 55.7385 -5.78969 52.931 8.41062 TIMING: 4875800 CPU: 14668.2, 0.00301918/step Wall: 14668.2, 0.00301918/step, 0.104162 hours remaining, 206.871094 MB of memory in use. ENERGY: 4875800 737.1756 2052.1169 1964.8980 125.2593 -205517.2545 17606.1358 0.0000 0.0000 34064.8123 -148966.8566 297.4965 -183031.6688 -148869.1925 298.7803 -20.5951 7.5497 558633.8758 11.5336 11.5116 PRESSURE: 4876000 -296.404 -56.7962 64.2008 -56.7967 -87.855 263.744 64.2014 263.745 -88.2075 GPRESSURE: 4876000 -245.044 -23.901 27.4572 -57.1178 -103.468 255.988 -42.3411 253.307 -28.7343 PRESSAVG: 4876000 -12.6811 -20.1993 23.1907 -20.1993 21.2215 21.9229 23.1906 21.9229 4.6915 GPRESSAVG: 4876000 -12.4216 -18.5488 22.2712 -22.1154 19.8341 22.3533 23.2901 24.7204 5.50625 TIMING: 4876000 CPU: 14668.8, 0.00301654/step Wall: 14668.8, 0.00301654/step, 0.103903 hours remaining, 206.871094 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: 4876000 747.5085 2078.8555 1943.6781 116.0138 -205655.9820 17510.7165 0.0000 0.0000 34318.9982 -148940.2115 299.7163 -183259.2097 -148844.0322 300.4253 -157.4887 -125.7488 558276.7950 4.4106 4.3062 PRESSURE: 4876200 89.7759 -63.5226 94.0948 -63.5223 7.89786 66.1703 94.0941 66.1695 143.187 GPRESSURE: 4876200 66.254 -132.849 87.596 -13.9444 91.5259 65.1871 41.334 127.258 190.101 PRESSAVG: 4876200 -2.72976 -49.2456 -1.48474 -49.2457 -3.78886 32.6588 -1.48473 32.6589 53.6878 GPRESSAVG: 4876200 -4.48771 -48.2032 -2.11179 -48.1134 -2.5482 30.3435 -0.952599 32.8929 54.3247 TIMING: 4876200 CPU: 14669.4, 0.0030337/step Wall: 14669.4, 0.0030337/step, 0.104326 hours remaining, 206.871094 MB of memory in use. ENERGY: 4876200 714.4856 2134.1840 1917.3619 121.1785 -206007.5807 17804.2714 0.0000 0.0000 34423.4283 -148892.6712 300.6284 -183316.0994 -148792.8290 300.0704 80.2870 115.9603 558355.1068 15.7231 15.7629 LDB: ============= START OF LOAD BALANCING ============== 14672.9 LDB: ============== END OF LOAD BALANCING =============== 14672.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14672.9 LDB: ============= START OF LOAD BALANCING ============== 14673.2 LDB: Largest compute 4820 load 0.025551 is 21.6% of average load 0.118146 LDB: Average compute 0.001720 is 1.5% of average load 0.118146 LDB: TIME 14673.2 LOAD: AVG 0.118146 MAX 0.216225 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.699 MB LDB: TIME 14673.2 LOAD: AVG 0.118146 MAX 0.216225 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.902 MB LDB: TIME 14673.2 LOAD: AVG 0.118146 MAX 0.216225 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.902 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14673.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14673.2 PRESSURE: 4876400 85.6977 76.3401 -52.308 76.3401 -70.2261 -2.81062 -52.3066 -2.81291 -169.586 GPRESSURE: 4876400 100.039 24.3192 14.7006 149.636 -10.4157 59.0795 -49.6329 -65.1528 -150.586 PRESSAVG: 4876400 42.1488 -21.8755 -40.4989 -21.8755 -57.5148 29.9412 -40.4989 29.9414 -33.7603 GPRESSAVG: 4876400 43.3429 -22.7683 -40.0449 -22.5394 -58.4716 30.0501 -41.1629 27.9425 -34.47 TIMING: 4876400 CPU: 14670.1, 0.00310355/step Wall: 14670.1, 0.00310355/step, 0.106555 hours remaining, 208.484375 MB of memory in use. ENERGY: 4876400 764.5722 2088.6848 1952.0011 102.2948 -205924.4824 17658.2332 0.0000 0.0000 34417.1855 -148941.5108 300.5738 -183358.6963 -148842.6041 300.4513 -51.3716 -20.3211 556497.6598 -16.3754 -16.5329 PRESSURE: 4876600 -254.313 96.8035 -16.5624 96.8046 -1.68047 -142.934 -16.5619 -142.933 99.3104 GPRESSURE: 4876600 -215.853 89.15 -56.8667 80.0488 48.3425 -26.3155 38.3326 -191.829 111.997 PRESSAVG: 4876600 19.0483 5.24893 8.81445 5.24888 35.3732 -38.5326 8.81443 -38.5326 -46.2323 GPRESSAVG: 4876600 18.8806 6.5551 6.99627 4.72889 35.6644 -39.6979 9.12953 -35.7291 -46.5188 TIMING: 4876600 CPU: 14670.7, 0.00307783/step Wall: 14670.7, 0.00307783/step, 0.105501 hours remaining, 208.726562 MB of memory in use. ENERGY: 4876600 767.6334 2113.3867 1925.9119 114.5414 -205875.2504 17681.0540 0.0000 0.0000 34394.3444 -148878.3786 300.3744 -183272.7230 -148782.4367 300.6910 -52.2278 -18.5045 557430.5027 2.7298 2.6754 PRESSURE: 4876800 204.17 117.497 4.1853 117.496 228.276 -8.88335 4.18546 -8.88396 -44.5562 GPRESSURE: 4876800 260.529 110.41 -142.221 186.913 234.704 20.28 110.653 23.618 -16.7867 PRESSAVG: 4876800 10.6041 -3.15159 74.103 -3.1516 50.7059 32.7841 74.103 32.7842 -16.2676 GPRESSAVG: 4876800 11.3721 -4.82558 72.9382 -2.27572 50.3226 32.6712 74.6174 31.9369 -16.4908 TIMING: 4876800 CPU: 14671.3, 0.00305839/step Wall: 14671.3, 0.00305839/step, 0.104665 hours remaining, 208.726562 MB of memory in use. ENERGY: 4876800 753.6397 2076.4183 1935.9177 111.5944 -205949.7889 17809.5972 0.0000 0.0000 34278.4819 -148984.1397 299.3625 -183262.6216 -148888.2725 300.1366 129.2968 159.4822 557148.0729 15.0141 15.0680 PRESSURE: 4877000 -141.886 -37.4488 -29.7376 -37.4493 42.0299 -18.8537 -29.7396 -18.8552 -31.8954 GPRESSURE: 4877000 -109.873 -11.0012 40.7897 -73.5843 40.5921 35.5492 -81.4635 -11.9085 33.6346 PRESSAVG: 4877000 -11.3461 -5.94488 -14.7275 -5.94486 22.8721 -36.2035 -14.7274 -36.2036 -3.10607 GPRESSAVG: 4877000 -12.4836 -4.27396 -12.0145 -6.39088 22.7509 -33.6458 -15.7469 -34.9979 -2.32451 TIMING: 4877000 CPU: 14671.9, 0.00304215/step Wall: 14671.9, 0.00304215/step, 0.10394 hours remaining, 208.781250 MB of memory in use. ENERGY: 4877000 719.9428 2122.4643 1929.7112 108.5096 -205886.8321 17742.8112 0.0000 0.0000 34337.2144 -148926.1785 299.8754 -183263.3929 -148830.8840 300.2531 -43.9173 -11.8820 558489.2617 2.8066 2.6476 PRESSURE: 4877200 -120.302 -73.9121 73.9517 -73.9131 -450.056 57.3285 73.9513 57.3275 -58.5799 GPRESSURE: 4877200 -115.844 -53.3578 39.5803 -105.847 -365.656 56.5695 118.38 0.866973 -54.2274 PRESSAVG: 4877200 -5.45618 1.0634 51.9599 1.06337 -42.8497 24.0665 51.9599 24.0665 -2.76632 GPRESSAVG: 4877200 -5.02297 -1.35978 50.9779 3.30499 -44.2505 22.5833 54.3524 21.9143 -2.12674 TIMING: 4877200 CPU: 14672.5, 0.00302721/step Wall: 14672.5, 0.00302721/step, 0.103262 hours remaining, 208.781250 MB of memory in use. ENERGY: 4877200 738.8034 2146.3502 1909.9453 118.1132 -205542.4711 17270.8170 0.0000 0.0000 34529.0566 -148829.3854 301.5508 -183358.4420 -148733.5330 300.4853 -209.6459 -178.5757 558602.6272 -17.0241 -17.1334 PRESSURE: 4877400 -111.58 81.5516 -62.9554 81.5526 110.85 -101.725 -62.9551 -101.726 -22.5671 GPRESSURE: 4877400 -72.7604 49.9358 -47.4906 142.68 133.599 -183.941 -67.9404 -40.5333 -0.613341 PRESSAVG: 4877400 -15.1919 1.33858 -17.0618 1.33856 -37.099 -5.73051 -17.0618 -5.73066 73.6879 GPRESSAVG: 4877400 -15.809 1.38801 -15.0257 0.0724715 -35.9761 -4.73028 -18.4351 -6.91622 72.9308 TIMING: 4877400 CPU: 14673.1, 0.0030173/step Wall: 14673.1, 0.0030173/step, 0.102756 hours remaining, 208.781250 MB of memory in use. ENERGY: 4877400 773.2638 2102.7334 1922.2172 127.3108 -205669.1873 17698.7207 0.0000 0.0000 34169.6731 -148875.2683 298.4123 -183044.9414 -148780.7649 300.1406 -7.7659 20.0749 558473.8246 7.1323 7.0486 PRESSURE: 4877600 111.067 -255.332 163.844 -255.331 224.732 87.1087 163.842 87.1092 -210.615 GPRESSURE: 4877600 124.427 -251.232 48.7463 -177.413 246.959 0.597154 195.736 200.775 -152.288 PRESSAVG: 4877600 -7.77728 -50.1171 8.30186 -50.1171 -20.4522 -9.36269 8.30189 -9.36277 37.105 GPRESSAVG: 4877600 -7.8513 -50.3316 6.86628 -49.2469 -20.1729 -8.54939 6.55551 -8.35739 37.0507 TIMING: 4877600 CPU: 14673.7, 0.00304151/step Wall: 14673.7, 0.00304151/step, 0.103411 hours remaining, 208.781250 MB of memory in use. ENERGY: 4877600 765.4165 2023.8333 1951.5536 114.5667 -206019.6483 17768.9171 0.0000 0.0000 34432.9214 -148962.4397 300.7113 -183395.3611 -148861.6501 299.8067 41.7279 73.0325 556431.3740 2.9585 3.0088 PRESSURE: 4877800 83.7109 -37.4452 42.7251 -37.4462 -67.2405 46.1668 42.7263 46.1674 -69.4041 GPRESSURE: 4877800 177.183 33.9848 16.3751 -105.708 -35.2646 -13.8455 65.6719 66.4663 -105.259 PRESSAVG: 4877800 2.83347 -16.411 25.8582 -16.4109 22.1774 77.1542 25.8581 77.1541 -13.9517 GPRESSAVG: 4877800 2.98042 -16.2731 24.9105 -16.238 21.4114 79.6872 28.3441 76.1058 -13.3879 TIMING: 4877800 CPU: 14674.3, 0.00306908/step Wall: 14674.3, 0.00306908/step, 0.104178 hours remaining, 208.781250 MB of memory in use. ENERGY: 4877800 726.1120 2116.5007 1920.3920 120.0555 -205710.6878 17311.7155 0.0000 0.0000 34256.3710 -149259.5411 299.1694 -183515.9120 -149167.1669 299.7810 -17.6446 12.2195 556508.7131 3.6864 3.6680 PRESSURE: 4878000 89.9382 12.293 137.194 12.2934 78.0668 -113.703 137.195 -113.703 277.487 GPRESSURE: 4878000 142.34 -17.0683 156.304 -54.6799 110.248 -63.6169 72.4822 -86.6302 285.473 PRESSAVG: 4878000 -6.50706 9.72303 -6.80466 9.72309 -3.43519 23.3255 -6.80466 23.3255 23.1829 GPRESSAVG: 4878000 -7.01028 6.87206 -3.96019 8.21266 -4.01044 22.9394 -7.22838 23.2444 23.9514 TIMING: 4878000 CPU: 14674.9, 0.00302251/step Wall: 14674.9, 0.00302251/step, 0.10243 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: 4878000 742.0245 2082.6021 1932.2122 107.7225 -206411.9721 17875.9145 0.0000 0.0000 34519.7707 -149151.7256 301.4697 -183671.4963 -149053.7929 299.9827 148.4974 179.3538 554380.9182 4.4136 4.3102 PRESSURE: 4878200 -8.22257 60.0543 -4.99268 60.0547 -121.957 -33.1976 -4.99275 -33.1994 -10.1874 GPRESSURE: 4878200 -19.812 10 22.0561 119.313 -56.5322 -17.3043 -49.5729 -70.8479 32.4328 PRESSAVG: 4878200 111.666 15.378 -13.517 15.378 -36.772 -19.454 -13.517 -19.4541 -65.5183 GPRESSAVG: 4878200 111.76 14.9373 -15.6664 16.8051 -36.964 -22.9301 -14.5852 -17.4605 -65.3862 TIMING: 4878200 CPU: 14675.5, 0.00300125/step Wall: 14675.5, 0.00300125/step, 0.101542 hours remaining, 208.781250 MB of memory in use. ENERGY: 4878200 750.1922 2081.1224 1942.5772 116.5854 -206023.7849 17638.2749 0.0000 0.0000 34342.1021 -149152.9307 299.9181 -183495.0328 -149052.6408 299.9590 -46.7888 -14.6372 555352.1013 3.1251 3.1365 PRESSURE: 4878400 -85.7387 109.167 31.0624 109.166 -258.482 -77.2142 31.0637 -77.2149 -11.0753 GPRESSURE: 4878400 -21.9209 118.224 14.4912 135.14 -236.721 -4.62712 9.57493 -139.04 -9.75607 PRESSAVG: 4878400 42.3673 34.6272 -32.0845 34.6273 -34.5303 -17.9204 -32.0845 -17.9203 -33.0108 GPRESSAVG: 4878400 42.8164 36.9541 -32.343 34.013 -34.2793 -16.3951 -28.9873 -17.8017 -34.3849 TIMING: 4878400 CPU: 14676.1, 0.00301956/step Wall: 14676.1, 0.00301956/step, 0.101994 hours remaining, 208.781250 MB of memory in use. ENERGY: 4878400 749.3917 2060.3964 1941.1189 110.4984 -205885.5173 17565.9401 0.0000 0.0000 34143.6820 -149314.4897 298.1853 -183458.1717 -149213.1603 299.3242 -118.4320 -89.4662 556208.7575 -8.3913 -8.6159 PRESSURE: 4878600 4.28302 23.9047 -99.843 23.9038 96.9192 19.5887 -99.8439 19.5889 99.1918 GPRESSURE: 4878600 39.4905 -5.27884 -49.2412 -4.77385 155.283 -25.9294 -135.424 -5.89304 92.2607 PRESSAVG: 4878600 27.627 -4.54931 40.7536 -4.54933 -33.7293 32.3945 40.7534 32.3946 7.87109 GPRESSAVG: 4878600 27.3121 -3.15061 43.314 -4.55818 -34.5799 33.0498 38.3271 32.8355 8.73898 TIMING: 4878600 CPU: 14676.7, 0.0030042/step Wall: 14676.7, 0.0030042/step, 0.101308 hours remaining, 208.781250 MB of memory in use. ENERGY: 4878600 713.6952 2105.2962 1932.1877 119.1256 -206544.2891 18007.0252 0.0000 0.0000 34193.6852 -149473.2740 298.6220 -183666.9592 -149386.0945 298.5392 66.7980 95.6781 555987.2278 0.5896 0.4904 PRESSURE: 4878800 7.02538 -17.8515 65.3493 -17.8512 72.6237 -233.068 65.3494 -233.067 49.8276 GPRESSURE: 4878800 27.2342 -56.6107 73.1161 67.8632 121.188 -341.49 77.7718 -217.34 82.7536 PRESSAVG: 4878800 83.3567 -4.73367 44.1591 -4.73365 -21.1977 40.3092 44.1591 40.3092 31.5541 GPRESSAVG: 4878800 82.4838 -6.81928 45.7452 -5.36291 -21.2349 40.6886 42.68 37.7371 32.0086 TIMING: 4878800 CPU: 14677.3, 0.0029954/step Wall: 14677.3, 0.0029954/step, 0.100845 hours remaining, 208.781250 MB of memory in use. ENERGY: 4878800 736.5560 2130.1188 1993.5850 118.7749 -206233.5665 17836.6910 0.0000 0.0000 34016.8216 -149401.0190 297.0774 -183417.8406 -149310.1372 298.6317 43.1589 77.0585 556027.1053 31.2377 31.0858 PRESSURE: 4879000 -67.2794 -123.135 -72.3115 -123.136 156.528 -74.0375 -72.3109 -74.0387 -54.5882 GPRESSURE: 4879000 -48.4591 -154.201 -124.955 -23.1315 183.142 -138.695 -12.4147 -66.7448 1.42285 PRESSAVG: 4879000 32.9262 -43.9447 -12.2859 -43.9447 32.9614 10.5412 -12.2858 10.5413 -60.7212 GPRESSAVG: 4879000 33.2964 -42.6897 -16.4525 -45.2273 33.1782 8.99359 -12.7378 11.1238 -61.7937 TIMING: 4879000 CPU: 14677.9, 0.00304694/step Wall: 14677.9, 0.00304694/step, 0.102411 hours remaining, 208.781250 MB of memory in use. ENERGY: 4879000 736.8773 2053.3044 1949.0112 116.0038 -206038.4234 17694.7019 0.0000 0.0000 34156.9671 -149331.5576 298.3013 -183488.5247 -149230.7742 298.3007 11.5534 45.3684 555718.6201 1.7221 1.5603 PRESSURE: 4879200 69.621 24.9522 75.3945 24.9519 105.481 -25.8527 75.3947 -25.8531 244.591 GPRESSURE: 4879200 88.9399 -19.6925 60.9447 98.1319 125.427 -56.4669 42.5462 -69.207 293.557 PRESSAVG: 4879200 14.8744 47.7113 -10.0913 47.7113 26.3946 -6.07382 -10.0914 -6.07379 3.4784 GPRESSAVG: 4879200 14.6786 46.9068 -7.50472 48.4576 26.6972 -6.72758 -7.42179 -7.45692 3.44423 TIMING: 4879200 CPU: 14678.5, 0.00301532/step Wall: 14678.5, 0.00301532/step, 0.101181 hours remaining, 208.781250 MB of memory in use. ENERGY: 4879200 731.2036 2128.7228 1923.1088 122.6784 -206632.6592 17992.2508 0.0000 0.0000 34259.0182 -149475.6766 299.1925 -183734.6949 -149383.3997 298.9064 139.8977 169.3080 557299.5391 14.9158 14.9400 PRESSURE: 4879400 110.772 -25.4693 -161.993 -25.4696 153.793 -64.9363 -161.993 -64.9356 -167.962 GPRESSURE: 4879400 194.829 -74.2797 -161.636 -4.12063 140.942 -38.7461 -61.0098 -64.2965 -153.425 PRESSAVG: 4879400 33.2332 19.6647 27.1996 19.6648 60.112 -73.774 27.1995 -73.774 -49.9809 GPRESSAVG: 4879400 33.2615 20.862 24.5069 19.9108 60.8329 -74.6262 26.6735 -70.2465 -50.8381 TIMING: 4879400 CPU: 14679.2, 0.00302253/step Wall: 14679.2, 0.00302253/step, 0.101255 hours remaining, 208.781250 MB of memory in use. ENERGY: 4879400 733.9180 2092.1425 1924.1525 111.1954 -206564.5293 17884.0381 0.0000 0.0000 34440.8328 -149378.2499 300.7804 -183819.0827 -149288.4675 299.6250 32.2007 60.7819 557605.1535 14.4548 14.4188 PRESSURE: 4879600 265.556 -132.121 -12.307 -132.119 -37.6404 -30.4974 -12.3059 -30.4978 -77.5907 GPRESSURE: 4879600 309.678 -75.3596 -49.6708 -119.05 -12.1259 -78.9602 22.1958 -51.9597 -44.8002 PRESSAVG: 4879600 49.2499 22.5136 23.9057 22.5135 30.5619 36.0816 23.9057 36.0816 -63.4147 GPRESSAVG: 4879600 48.8701 21.3397 23.1011 22.2802 29.4038 37.5744 24.0626 33.1262 -61.5438 TIMING: 4879600 CPU: 14679.8, 0.00300439/step Wall: 14679.8, 0.00300439/step, 0.10048 hours remaining, 208.781250 MB of memory in use. ENERGY: 4879600 735.6432 2056.6118 1925.8049 127.4089 -206160.2738 17874.4400 0.0000 0.0000 34215.3050 -149225.0600 298.8108 -183440.3650 -149131.8733 299.6062 50.1083 84.2505 557907.3360 5.4657 5.5767 PRESSURE: 4879800 -1.83198 17.4288 62.2449 17.4283 -274.795 -22.4323 62.2454 -22.4308 178.228 GPRESSURE: 4879800 3.64755 79.5861 41.4034 -78.0825 -255.843 -74.144 88.4942 -7.10008 260.903 PRESSAVG: 4879800 -7.85199 -7.17764 7.12529 -7.17772 8.14265 -14.6758 7.12536 -14.6757 5.27673 GPRESSAVG: 4879800 -7.32515 -5.5342 7.53851 -7.2859 7.96859 -15.4956 10.9358 -12.2987 4.64045 TIMING: 4879800 CPU: 14680.4, 0.00303166/step Wall: 14680.4, 0.00303166/step, 0.101224 hours remaining, 208.781250 MB of memory in use. ENERGY: 4879800 729.6808 2097.6850 1896.9557 118.9553 -206003.9568 17897.3223 0.0000 0.0000 34148.4547 -149114.9030 298.2269 -183263.3577 -149017.8889 299.3075 -32.7998 2.9026 559210.8048 1.8558 1.7613 PRESSURE: 4880000 52.4179 -29.6297 7.45713 -29.6292 -100.696 -60.01 7.45759 -60.01 -108.566 GPRESSURE: 4880000 78.8945 -11.561 0.183414 42.5007 -43.6373 -1.39838 -4.01337 -107.048 -96.9739 PRESSAVG: 4880000 4.0401 14.4193 2.2395 14.4194 -62.0451 3.60899 2.23947 3.60895 20.2787 GPRESSAVG: 4880000 3.40154 14.2159 3.45469 14.3646 -61.9996 3.49693 -0.572339 2.68481 20.8037 TIMING: 4880000 CPU: 14681, 0.00302138/step Wall: 14681, 0.00302138/step, 0.100713 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: 4880000 763.0447 2106.4737 1915.9370 108.6775 -206159.3172 17845.0908 0.0000 0.0000 34307.3163 -149112.7771 299.6143 -183420.0934 -149013.4830 299.0927 -52.2815 -20.5722 558342.6283 -12.5755 -12.5981 PRESSURE: 4880200 164.851 -23.8906 -26.8777 -23.8911 -303.53 -17.9159 -26.8772 -17.9165 -181.116 GPRESSURE: 4880200 146.881 11.4619 -62.9602 -53.4448 -244.433 -61.9565 0.826863 -3.13561 -111.456 PRESSAVG: 4880200 52.1847 -3.4569 70.34 -3.45693 -2.3584 14.0666 70.34 14.0665 -43.1302 GPRESSAVG: 4880200 50.9063 -4.43891 71.6901 -2.92165 -1.79659 13.8111 70.3175 15.5413 -42.7338 TIMING: 4880200 CPU: 14681.6, 0.00303459/step Wall: 14681.6, 0.00303459/step, 0.100984 hours remaining, 208.781250 MB of memory in use. ENERGY: 4880200 725.7868 2053.9195 1955.2112 107.6195 -205835.1989 17604.4565 0.0000 0.0000 34109.6829 -149278.5225 297.8883 -183388.2054 -149179.9917 299.2720 -106.5985 -69.6692 559186.7596 2.2320 2.1253 LDB: ============= START OF LOAD BALANCING ============== 14685 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14685 LDB: =============== DONE WITH MIGRATION ================ 14685 LDB: ============= START OF LOAD BALANCING ============== 14685.3 LDB: Largest compute 4820 load 0.028536 is 24.2% of average load 0.118140 LDB: Average compute 0.001717 is 1.5% of average load 0.118140 LDB: TIME 14685.3 LOAD: AVG 0.11814 MAX 0.213201 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.789 MB LDB: TIME 14685.3 LOAD: AVG 0.11814 MAX 0.213201 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: TIME 14685.3 LOAD: AVG 0.11814 MAX 0.213201 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.852 MB LDB: ============== END OF LOAD BALANCING =============== 14685.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14685.3 PRESSURE: 4880400 -122.021 6.81326 6.22485 6.81347 -240.198 -57.602 6.22445 -57.6004 -55.1773 GPRESSURE: 4880400 -99.2507 10.7274 -66.9106 -26.7175 -183.08 -119.604 42.5206 -35.881 -38.698 PRESSAVG: 4880400 27.7577 11.8853 9.29745 11.8853 -12.1372 -17.7754 9.29745 -17.7754 8.49281 GPRESSAVG: 4880400 29.9115 11.8227 5.98928 10.6506 -13.6231 -17.5027 9.79591 -18.334 7.88006 TIMING: 4880400 CPU: 14682.2, 0.00306637/step Wall: 14682.2, 0.00306637/step, 0.101872 hours remaining, 208.359375 MB of memory in use. ENERGY: 4880400 728.1731 2044.7118 1964.7991 106.7138 -206161.0891 17598.8214 0.0000 0.0000 34356.5851 -149361.2848 300.0446 -183717.8699 -149267.6470 299.0135 -139.1322 -107.0095 557712.7890 8.0378 8.0561 PRESSURE: 4880600 -276.707 -110.507 18.0264 -110.509 -102.987 -87.9592 18.0267 -87.9598 -104.699 GPRESSURE: 4880600 -253.336 -90.4502 35.4051 -69.3321 -90.8965 59.5651 7.23001 -138.274 -52.0585 PRESSAVG: 4880600 -40.3547 10.9971 -29.8731 10.9971 -40.2948 -28.1564 -29.8732 -28.1564 10.1635 GPRESSAVG: 4880600 -41.8084 11.0187 -27.8939 11.7648 -39.0202 -29.0854 -31.0441 -25.1081 10.4839 TIMING: 4880600 CPU: 14682.8, 0.0030462/step Wall: 14682.8, 0.0030462/step, 0.101032 hours remaining, 208.429688 MB of memory in use. ENERGY: 4880600 754.4082 2084.6036 1981.4908 106.7977 -206162.4954 17645.5884 0.0000 0.0000 34202.8275 -149386.7792 298.7018 -183589.6067 -149283.5428 298.3023 -161.4640 -132.0969 557598.5564 -23.4953 -23.4482 PRESSURE: 4880800 167.405 6.4948 -92.0605 6.49587 97.0395 -13.8751 -92.0611 -13.8744 303.196 GPRESSURE: 4880800 221.403 26.5963 -84.5428 -35.1431 96.8012 -50.7575 -150.186 24.7094 350.721 PRESSAVG: 4880800 -14.3101 1.91318 -9.6631 1.91314 -44.9887 -24.2168 -9.66315 -24.2168 42.8714 GPRESSAVG: 4880800 -14.5212 2.429 -8.19885 1.31263 -45.5048 -21.8306 -10.7434 -27.0015 43.1199 TIMING: 4880800 CPU: 14683.4, 0.00305884/step Wall: 14683.4, 0.00305884/step, 0.101282 hours remaining, 208.429688 MB of memory in use. ENERGY: 4880800 742.3820 2059.5902 1916.6629 112.8478 -206339.3902 17943.3195 0.0000 0.0000 33998.9746 -149565.6132 296.9215 -183564.5878 -149466.7080 299.1246 189.2133 222.9751 555324.9093 -5.4758 -5.6354 PRESSURE: 4881000 108.457 20.931 -8.60022 20.9312 121.93 20.0479 -8.5994 20.0471 36.0156 GPRESSURE: 4881000 151.905 29.9259 8.47395 97.7111 167.033 -22.0103 -63.4054 32.5857 48.7582 PRESSAVG: 4881000 12.9319 28.2979 -54.761 28.2979 -33.7387 -42.1704 -54.7609 -42.1703 -26.6158 GPRESSAVG: 4881000 13.9052 26.3723 -55.2121 30.521 -34.6575 -43.6571 -53.9478 -42.0253 -26.6685 TIMING: 4881000 CPU: 14684, 0.00306833/step Wall: 14684, 0.00306833/step, 0.101425 hours remaining, 208.429688 MB of memory in use. ENERGY: 4881000 752.4411 2026.8905 1932.5420 108.1023 -206701.0972 18004.6260 0.0000 0.0000 34314.5863 -149561.9092 299.6778 -183876.4954 -149471.7708 298.8466 88.8009 122.5655 556635.7793 -15.8075 -15.8069 PRESSURE: 4881200 -65.0812 206.826 50.983 206.826 154.23 29.3597 50.983 29.3605 185.81 GPRESSURE: 4881200 29.3336 193.253 36.4822 149.275 127.002 44.8937 85.0948 36.159 212.126 PRESSAVG: 4881200 26.315 56.6754 39.1675 56.6754 33.1706 -29.6663 39.1675 -29.6661 -60.893 GPRESSAVG: 4881200 25.9927 57.8599 38.3656 55.2891 34.1849 -28.6114 40.6986 -30.5838 -61.4723 TIMING: 4881200 CPU: 14684.6, 0.00306945/step Wall: 14684.6, 0.00306945/step, 0.101292 hours remaining, 208.429688 MB of memory in use. ENERGY: 4881200 763.2709 2127.0794 1918.0496 103.2506 -206683.1911 18049.7033 0.0000 0.0000 34181.5358 -149540.3015 298.5159 -183721.8373 -149445.2164 298.9358 91.6529 122.8207 556643.4713 -0.4691 -0.4316 PRESSURE: 4881400 -491.397 59.6804 161.662 59.6795 -367.826 43.5684 161.663 43.5684 -78.9852 GPRESSURE: 4881400 -431.248 119.911 64.1372 15.8398 -333.647 35.4502 141.983 -50.3726 -69.8542 PRESSAVG: 4881400 -52.033 39.7235 -1.59664 39.7235 32.15 14.8429 -1.59667 14.8427 -2.71194 GPRESSAVG: 4881400 -52.2149 38.406 -2.1821 40.0511 32.7169 15.367 -1.92441 13.8521 -2.77892 TIMING: 4881400 CPU: 14685.2, 0.00307512/step Wall: 14685.2, 0.00307512/step, 0.101308 hours remaining, 208.429688 MB of memory in use. ENERGY: 4881400 773.7776 2040.7699 1899.5151 106.9862 -205665.2863 17301.2351 0.0000 0.0000 34131.4767 -149411.5257 298.0787 -183543.0025 -149323.5730 297.8420 -312.7362 -278.2498 558436.9600 -7.5316 -7.4257 PRESSURE: 4881600 7.31612 15.3553 -43.2478 15.355 -70.671 -233.887 -43.2485 -233.888 28.4512 GPRESSURE: 4881600 20.5073 85.3416 -36.7757 -13.5218 -52.9198 -237.572 -38.3495 -161.836 94.547 PRESSAVG: 4881600 -10.7828 0.636916 -29.402 0.636996 27.8742 6.99435 -29.402 6.9943 12.7719 GPRESSAVG: 4881600 -11.0277 0.942827 -29.7462 -0.176384 27.3733 4.78625 -30.1947 9.13476 13.1883 TIMING: 4881600 CPU: 14685.9, 0.00305422/step Wall: 14685.9, 0.00305422/step, 0.10045 hours remaining, 208.429688 MB of memory in use. ENERGY: 4881600 708.6817 2049.7381 1918.1811 115.1104 -206157.2439 17767.7361 0.0000 0.0000 34374.1075 -149223.6891 300.1976 -183597.7965 -149130.0874 298.8652 -11.6345 20.7115 558032.7240 9.9544 9.8446 PRESSURE: 4881800 -130.98 153.307 99.1828 153.308 -234.928 132.304 99.1826 132.303 -126.062 GPRESSURE: 4881800 -174.119 226.019 104.709 153.025 -156.488 109.04 45.8944 58.9795 -67.8951 PRESSAVG: 4881800 -69.5643 16.0959 -47.2985 16.0959 17.961 4.7219 -47.2984 4.72188 27.8993 GPRESSAVG: 4881800 -69.8385 18.4685 -44.6585 15.3547 17.4881 4.46981 -46.9655 4.40894 28.693 TIMING: 4881800 CPU: 14686.5, 0.00305773/step Wall: 14686.5, 0.00305773/step, 0.100396 hours remaining, 208.429688 MB of memory in use. ENERGY: 4881800 735.8233 2096.0814 1946.2793 112.1113 -205491.1930 17273.1743 0.0000 0.0000 34210.6033 -149117.1201 298.7697 -183327.7234 -149013.8009 299.3353 -163.9897 -132.8343 557691.7931 -7.9013 -7.8858 PRESSURE: 4882000 182.259 -74.6069 -108.709 -74.6065 -107.782 61.0898 -108.709 61.0896 -272.38 GPRESSURE: 4882000 224.16 -42.8734 -177.904 -9.52679 -93.3053 75.4244 -36.8282 26.4246 -244.519 PRESSAVG: 4882000 -18.9926 -0.171889 -76.8368 -0.171924 -28.0794 6.37723 -76.8367 6.37715 23.2762 GPRESSAVG: 4882000 -17.6276 -2.69965 -76.9925 1.32291 -27.4228 8.1467 -78.4508 6.91567 21.3053 TIMING: 4882000 CPU: 14687.1, 0.0030618/step Wall: 14687.1, 0.0030618/step, 0.100359 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: 4882000 776.8447 2077.1317 1939.4123 121.0654 -206109.8404 17735.5562 0.0000 0.0000 34320.6243 -149139.2059 299.7305 -183459.8302 -149046.5924 299.1340 -65.9678 -37.8881 557972.0263 -7.9319 -7.9150 PRESSURE: 4882200 -192.392 47.335 107.165 47.335 -194.832 33.541 107.164 33.5411 -289.596 GPRESSURE: 4882200 -148.242 131.428 168.994 49.6921 -199.838 38.3255 103.991 25.1787 -243.831 PRESSAVG: 4882200 81.7601 -37.7656 -0.0118086 -37.7657 -60.9949 14.7631 -0.0118384 14.763 6.90096 GPRESSAVG: 4882200 80.997 -36.8079 -0.832936 -37.3578 -61.3367 15.3164 -0.1762 14.0942 8.07998 TIMING: 4882200 CPU: 14687.7, 0.00305398/step Wall: 14687.7, 0.00305398/step, 0.099933 hours remaining, 208.429688 MB of memory in use. ENERGY: 4882200 771.0768 2079.4001 1930.4391 92.0563 -205637.4326 17531.0384 0.0000 0.0000 34238.3414 -148995.0803 299.0120 -183233.4217 -148892.3250 299.7257 -225.6069 -197.3036 558458.6668 9.2221 9.2468 PRESSURE: 4882400 -83.0998 31.8403 -30.9324 31.84 244.97 -69.5994 -30.9326 -69.5989 152.933 GPRESSURE: 4882400 -40.0826 -97.2619 10.1842 -39.062 274.25 -28.4657 -24.9603 -48.4581 180.434 PRESSAVG: 4882400 45.7976 -63.4769 -29.4365 -63.477 6.68983 -59.1047 -29.4365 -59.1047 -83.1448 GPRESSAVG: 4882400 44.983 -63.3501 -29.5295 -62.6357 7.95821 -59.9885 -27.6839 -60.0928 -83.9625 TIMING: 4882400 CPU: 14688.3, 0.00304746/step Wall: 14688.3, 0.00304746/step, 0.0995503 hours remaining, 208.429688 MB of memory in use. ENERGY: 4882400 760.9814 2029.3223 1920.3654 115.6032 -205842.6293 17815.7615 0.0000 0.0000 34195.2780 -149005.3176 298.6359 -183200.5956 -148903.3154 299.4730 104.9344 138.2005 556494.9651 -10.2191 -10.3404 PRESSURE: 4882600 265.423 -192.958 -157.338 -192.959 164.573 -75.0861 -157.34 -75.0856 75.4928 GPRESSURE: 4882600 352.945 -188.219 -219.297 -127.618 161.832 -132.996 -84.9615 -34.1186 81.0452 PRESSAVG: 4882600 19.5217 -18.7395 -22.0549 -18.7394 71.2745 -11.5461 -22.0549 -11.5462 -52.8729 GPRESSAVG: 4882600 19.9427 -18.1949 -24.3515 -20.1011 70.9701 -14.1574 -20.8505 -8.47262 -53.214 TIMING: 4882600 CPU: 14688.9, 0.00304892/step Wall: 14688.9, 0.00304892/step, 0.0994286 hours remaining, 208.429688 MB of memory in use. ENERGY: 4882600 716.8890 2079.4887 1912.0935 102.8359 -206357.9938 17991.1401 0.0000 0.0000 34529.7755 -149025.7710 301.5571 -183555.5465 -148932.8059 300.3043 168.4963 198.6073 557364.1949 12.6411 12.5663 PRESSURE: 4882800 -140.226 36.3441 -111.451 36.3435 -32.6205 -17.7531 -111.452 -17.7524 -34.8062 GPRESSURE: 4882800 -86.9608 69.0879 -43.747 21.2231 -60.0445 -87.1641 -123.745 -32.61 42.2118 PRESSAVG: 4882800 55.6869 42.1255 -10.0318 42.1254 -13.2761 21.0504 -10.0318 21.0505 -59.3091 GPRESSAVG: 4882800 55.51 43.6427 -7.37928 42.7446 -13.8548 23.8495 -12.8328 19.0057 -58.0919 TIMING: 4882800 CPU: 14689.5, 0.0030311/step Wall: 14689.5, 0.0030311/step, 0.0986791 hours remaining, 208.429688 MB of memory in use. ENERGY: 4882800 720.6439 2082.0915 1935.1765 109.9457 -206220.0547 17860.0602 0.0000 0.0000 34502.5381 -149009.5987 301.3192 -183512.1368 -148909.9149 300.6129 -69.2176 -34.9312 559130.8806 -5.6328 -5.4789 PRESSURE: 4883000 93.7724 -58.2203 129.036 -58.2205 -167.505 -12.7976 129.036 -12.7966 102.873 GPRESSURE: 4883000 153.682 -48.1957 5.82577 -26.1787 -139.889 27.6188 184.933 6.5555 113.512 PRESSAVG: 4883000 25.3409 35.8999 35.7675 35.9001 -40.4494 -40.0741 35.7675 -40.0741 60.1025 GPRESSAVG: 4883000 26.1074 32.9748 35.9408 35.5567 -40.4508 -40.7566 35.6352 -39.8508 59.0571 TIMING: 4883000 CPU: 14690.1, 0.00304957/step Wall: 14690.1, 0.00304957/step, 0.0991109 hours remaining, 208.429688 MB of memory in use. ENERGY: 4883000 705.6888 2112.9131 1926.9414 115.1569 -205610.8626 17709.1499 0.0000 0.0000 34362.8121 -148678.2003 300.0990 -183041.0124 -148584.5587 300.3929 9.7136 42.4346 557403.6964 14.9980 14.9046 PRESSURE: 4883200 -8.25482 22.3086 33.9207 22.3075 -295.107 -27.3626 33.921 -27.3623 -332.47 GPRESSURE: 4883200 9.67493 51.5554 -51.9938 -89.1913 -215.055 -123.015 89.0762 -9.30579 -324.891 PRESSAVG: 4883200 55.2702 -44.314 16.932 -44.314 -45.0416 0.0599385 16.932 0.0599743 -22.6009 GPRESSAVG: 4883200 55.7659 -43.8252 16.3099 -42.8295 -45.0752 -0.0439135 18.1637 -0.133262 -22.7676 TIMING: 4883200 CPU: 14690.7, 0.00305274/step Wall: 14690.7, 0.00305274/step, 0.0990444 hours remaining, 208.429688 MB of memory in use. ENERGY: 4883200 793.6931 2042.7413 1960.2541 114.7637 -205323.0577 17382.7066 0.0000 0.0000 34407.1464 -148621.7524 300.4862 -183028.8988 -148532.0220 300.7191 -211.9439 -176.7569 559241.6080 -4.1241 -4.0257 PRESSURE: 4883400 -197.517 -104.589 12.6114 -104.588 27.3537 32.1721 12.611 32.1719 33.0746 GPRESSURE: 4883400 -191.855 -192.04 19.6184 16.1261 74.6183 32.6035 -10.2993 2.21254 57.05 PRESSAVG: 4883400 -8.15181 30.5493 25.1316 30.5493 17.0047 -34.9979 25.1317 -34.9979 17.0373 GPRESSAVG: 4883400 -9.6411 33.0644 24.4601 29.9218 17.6206 -35.459 26.3744 -36.1644 17.1053 TIMING: 4883400 CPU: 14691.3, 0.00301892/step Wall: 14691.3, 0.00301892/step, 0.0977796 hours remaining, 208.429688 MB of memory in use. ENERGY: 4883400 738.0259 2136.8579 1915.3143 115.5512 -205802.0621 17805.7349 0.0000 0.0000 34289.8272 -148800.7507 299.4616 -183090.5779 -148712.2226 300.5462 -45.6962 -20.0623 558931.4394 8.6301 8.3616 PRESSURE: 4883600 -193.472 -114.249 37.9533 -114.249 41.1703 7.75099 37.9535 7.75111 42.9868 GPRESSURE: 4883600 -196.17 -120.041 79.0109 -90.7227 108.374 13.8079 -13.5869 30.2336 71.6077 PRESSAVG: 4883600 17.219 -9.88519 -24.8456 -9.88517 5.97464 78.4146 -24.8456 78.4148 53.2609 GPRESSAVG: 4883600 17.1883 -12.4855 -21.7729 -8.81109 5.96437 79.9035 -27.0721 79.78 53.7707 TIMING: 4883600 CPU: 14691.9, 0.00301242/step Wall: 14691.9, 0.00301242/step, 0.0974015 hours remaining, 208.429688 MB of memory in use. ENERGY: 4883600 770.4496 2109.4255 1920.5110 118.1113 -205865.3345 17662.0408 0.0000 0.0000 34430.1964 -148854.6000 300.6875 -183284.7964 -148761.0130 300.4257 -36.4383 -5.3960 557767.4856 25.4849 25.6411 PRESSURE: 4883800 -101.143 59.897 -50.0371 59.8957 -139.226 72.4456 -50.0363 72.4457 -67.4575 GPRESSURE: 4883800 -75.3154 89.1593 -20.3632 113.439 -78.1585 -12.2897 -58.9072 18.8905 -57.7854 PRESSAVG: 4883800 72.3483 -21.9761 35.8676 -21.976 -31.2276 37.0243 35.8676 37.0245 -23.7632 GPRESSAVG: 4883800 73.1237 -20.0582 32.9858 -23.8706 -31.8025 37.8892 37.882 35.1552 -23.1235 TIMING: 4883800 CPU: 14692.5, 0.00302307/step Wall: 14692.5, 0.00302307/step, 0.0975781 hours remaining, 208.429688 MB of memory in use. ENERGY: 4883800 714.0670 2096.6937 1935.2563 120.6569 -205530.1237 17536.1809 0.0000 0.0000 34026.4286 -149100.8403 297.1613 -183127.2689 -149012.3126 298.7450 -102.6088 -70.4198 557251.0944 5.7858 6.0659 PRESSURE: 4884000 143.981 -39.7803 24.992 -39.7785 -4.97553 179.053 24.9919 179.056 176.49 GPRESSURE: 4884000 139.488 -108.218 -107.511 -75.2789 81.9297 260.21 104.378 157.091 186.681 PRESSAVG: 4884000 17.4981 27.6091 15.2804 27.6091 -10.0672 62.3015 15.2804 62.3016 51.4076 GPRESSAVG: 4884000 17.346 27.8701 13.8171 27.5556 -8.8294 61.5039 16.5878 63.5256 49.7203 TIMING: 4884000 CPU: 14693.2, 0.00304551/step Wall: 14693.2, 0.00304551/step, 0.0981332 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: 4884000 728.6782 2126.3339 1952.1228 108.3290 -206044.7981 17923.7167 0.0000 0.0000 34225.2516 -148980.3658 298.8976 -183205.6175 -148884.6554 298.6115 105.1649 136.0330 557504.4491 19.6128 19.4123 PRESSURE: 4884200 -201.983 -59.5556 83.9414 -59.5553 20.8412 15.2655 83.9399 15.2658 -206.012 GPRESSURE: 4884200 -166.658 -35.3558 97.4651 -97.7381 104.772 -26.7981 33.3597 54.2438 -234.946 PRESSAVG: 4884200 41.0845 -4.26781 -13.0456 -4.26782 23.1729 11.9117 -13.0456 11.9116 -130.702 GPRESSAVG: 4884200 41.2675 -4.36114 -9.61335 -5.29484 22.4045 11.9023 -15.2392 11.5125 -130.333 TIMING: 4884200 CPU: 14693.8, 0.00303117/step Wall: 14693.8, 0.00303117/step, 0.0975025 hours remaining, 208.429688 MB of memory in use. ENERGY: 4884200 726.5869 2169.3026 1941.0107 108.6412 -205745.7411 17581.3543 0.0000 0.0000 34213.1164 -149005.7291 298.7917 -183218.8455 -148911.1295 298.9771 -129.0512 -98.9442 560195.8569 -22.1483 -22.2203 LDB: ============= START OF LOAD BALANCING ============== 14697.2 LDB: ============== END OF LOAD BALANCING =============== 14697.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14697.2 LDB: ============= START OF LOAD BALANCING ============== 14697.5 LDB: Largest compute 4820 load 0.027478 is 23.3% of average load 0.118157 LDB: Average compute 0.001730 is 1.5% of average load 0.118157 LDB: TIME 14697.5 LOAD: AVG 0.118157 MAX 0.215482 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.133 MB LDB: TIME 14697.5 LOAD: AVG 0.118157 MAX 0.215482 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.195 MB LDB: TIME 14697.5 LOAD: AVG 0.118157 MAX 0.215482 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.195 MB LDB: ============== END OF LOAD BALANCING =============== 14697.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14697.5 PRESSURE: 4884400 -137.663 55.5568 11.57 55.5562 -134.137 22.907 11.5688 22.9074 -269.452 GPRESSURE: 4884400 -113.371 39.2722 -1.34701 82.7468 -124.126 81.7931 44.7053 -26.5662 -210.343 PRESSAVG: 4884400 -34.8904 18.7221 5.1501 18.7221 91.8779 3.61398 5.15019 3.61385 -41.7628 GPRESSAVG: 4884400 -34.6663 19.7694 4.60619 18.7704 91.0947 2.57494 5.33774 5.51752 -41.3409 TIMING: 4884400 CPU: 14694.4, 0.00308733/step Wall: 14694.4, 0.00308733/step, 0.0991377 hours remaining, 208.359375 MB of memory in use. ENERGY: 4884400 783.2505 2122.8908 1931.3247 129.3253 -206312.3094 17829.7259 0.0000 0.0000 34135.7893 -149380.0029 298.1163 -183515.7922 -149294.0409 298.4237 -180.4175 -149.2799 558996.1473 5.0749 5.0292 PRESSURE: 4884600 145.529 -20.0608 -26.6099 -20.0639 99.7414 22.0231 -26.6097 22.0239 -147.52 GPRESSURE: 4884600 114.891 42.9301 13.341 -36.8513 123.655 -27.1092 -47.5352 36.4122 -40.6875 PRESSAVG: 4884600 13.6805 15.5086 -1.10379 15.5086 -37.5481 -38.6718 -1.1037 -38.6718 16.5559 GPRESSAVG: 4884600 14.6979 13.732 -3.46408 15.8743 -37.5346 -37.2977 0.721474 -41.0238 15.1195 TIMING: 4884600 CPU: 14695, 0.00304027/step Wall: 14695, 0.00304027/step, 0.0974575 hours remaining, 208.558594 MB of memory in use. ENERGY: 4884600 738.4143 2005.9173 1976.8784 119.6001 -206452.4907 18127.3097 0.0000 0.0000 34033.2136 -149451.1573 297.2205 -183484.3709 -149359.1416 298.4131 32.5836 65.9528 558497.7669 -2.4372 -2.5724 PRESSURE: 4884800 256.487 75.9133 -112.374 75.9145 -88.1022 122.397 -112.375 122.396 -76.2591 GPRESSURE: 4884800 295.307 70.2924 -152.519 164.65 -60.0863 177.293 -109.971 42.2764 -44.163 PRESSAVG: 4884800 2.46974 -39.4826 -46.8554 -39.4826 3.11249 -44.9682 -46.8554 -44.9681 16.17 GPRESSAVG: 4884800 0.311567 -40.1011 -43.5999 -36.3545 2.66461 -46.4028 -50.5864 -45.3056 19.094 TIMING: 4884800 CPU: 14695.6, 0.00303298/step Wall: 14695.6, 0.00303298/step, 0.0970554 hours remaining, 208.558594 MB of memory in use. ENERGY: 4884800 714.7370 2087.3852 1946.3075 105.1668 -206438.2830 17982.6833 0.0000 0.0000 34130.1894 -149471.8137 298.0674 -183602.0031 -149383.0902 298.0660 30.7086 63.6859 557240.6011 7.2507 7.3567 PRESSURE: 4885000 231.934 -8.18686 -123.731 -8.18748 -49.7884 -46.8746 -123.731 -46.8762 35.4615 GPRESSURE: 4885000 251.175 -43.3414 -88.466 44.9686 22.1595 0.714538 -48.0904 -25.7186 33.5004 PRESSAVG: 4885000 75.3046 -7.54685 -14.9446 -7.54678 25.9164 -27.1181 -14.9445 -27.1181 -74.3276 GPRESSAVG: 4885000 76.0824 -7.42125 -17.6029 -9.05475 25.7609 -26.5896 -12.4712 -26.5741 -75.7717 TIMING: 4885000 CPU: 14696.2, 0.00303701/step Wall: 14696.2, 0.00303701/step, 0.0970156 hours remaining, 208.558594 MB of memory in use. ENERGY: 4885000 730.1760 2006.9179 1893.2306 104.0005 -206260.4991 17898.8329 0.0000 0.0000 34253.0974 -149374.2439 299.1408 -183627.3413 -149274.0225 298.2868 72.5356 102.2781 557040.4136 8.9645 8.6905 PRESSURE: 4885200 -161.948 78.1168 -46.9348 78.1157 146.055 44.1975 -46.936 44.198 -62.1209 GPRESSURE: 4885200 -89.3937 78.7585 -158.358 17.7093 125.173 8.36547 86.4888 55.7504 -23.0754 PRESSAVG: 4885200 68.8805 25.2326 -11.3559 25.2326 -14.0198 20.3336 -11.3559 20.3336 -43.1991 GPRESSAVG: 4885200 68.5041 26.6415 -11.0387 24.7576 -13.5931 18.8234 -12.0362 22.2125 -43.1955 TIMING: 4885200 CPU: 14696.8, 0.00304652/step Wall: 14696.8, 0.00304652/step, 0.09715 hours remaining, 208.558594 MB of memory in use. ENERGY: 4885200 749.9948 2054.6281 1941.0373 111.0834 -206308.7861 17765.9555 0.0000 0.0000 34429.2388 -149256.8483 300.6791 -183686.0871 -149160.4406 298.8516 -26.0049 4.2346 557964.4004 3.8872 3.9052 PRESSURE: 4885400 -224.124 163.085 -311.656 163.084 7.7872 7.76475 -311.657 7.7654 -179.838 GPRESSURE: 4885400 -137.901 181.198 -293.875 155.414 -45.8027 -38.1402 -348.963 -44.3542 -130.77 PRESSAVG: 4885400 58.9875 -5.6236 -93.8121 -5.62359 65.5567 -24.569 -93.812 -24.5688 -81.4206 GPRESSAVG: 4885400 58.5994 -4.37747 -93.7243 -6.91163 64.9319 -23.6185 -93.4264 -27.0929 -80.138 TIMING: 4885400 CPU: 14697.4, 0.00304275/step Wall: 14697.4, 0.00304275/step, 0.0968609 hours remaining, 208.558594 MB of memory in use. ENERGY: 4885400 728.8144 2054.1927 1967.5647 106.4283 -206145.0482 17756.0238 0.0000 0.0000 34358.8360 -149173.1882 300.0643 -183532.0243 -149079.0181 298.8830 -132.0585 -104.8246 557405.5323 14.3745 14.4644 PRESSURE: 4885600 -223.777 -1.35873 -16.504 -1.35804 -155.602 101.178 -16.5051 101.178 -179.208 GPRESSURE: 4885600 -168.517 -139.713 35.7144 45.8595 -76.9661 18.9504 -6.60315 8.96011 -220.551 PRESSAVG: 4885600 73.0954 7.90347 -35.4228 7.90349 -2.70159 5.17554 -35.4227 5.17572 -67.0952 GPRESSAVG: 4885600 72.9696 4.23215 -35.0373 9.02971 -1.7814 6.02765 -36.9859 4.65689 -67.5988 TIMING: 4885600 CPU: 14698, 0.00300735/step Wall: 14698, 0.00300735/step, 0.095567 hours remaining, 208.558594 MB of memory in use. ENERGY: 4885600 757.6533 2108.9114 1908.6447 110.2687 -205801.8508 17514.0276 0.0000 0.0000 34361.8452 -149040.4999 300.0905 -183402.3451 -148937.0213 299.9386 -186.1956 -155.3447 558564.6719 1.0996 1.1964 PRESSURE: 4885800 291.678 -38.3118 -74.8098 -38.3128 -223.492 61.713 -74.8082 61.713 -312.853 GPRESSURE: 4885800 283.232 -44.2492 -71.2027 9.39813 -190.996 178.553 -37.8782 35.8064 -250.881 PRESSAVG: 4885800 109.866 13.9539 -24.7058 13.954 -1.46282 20.3411 -24.7058 20.3411 -74.3646 GPRESSAVG: 4885800 110.585 16.0897 -23.7535 14.9659 -1.97331 17.9529 -25.1057 23.4775 -74.7926 TIMING: 4885800 CPU: 14698.6, 0.00303715/step Wall: 14698.6, 0.00303715/step, 0.0963453 hours remaining, 208.558594 MB of memory in use. ENERGY: 4885800 744.7348 2084.9730 1934.7657 112.1398 -205753.9596 17551.2984 0.0000 0.0000 34295.6663 -149030.3816 299.5126 -183326.0479 -148936.6307 299.4692 -81.5554 -52.8814 555494.5733 11.3462 11.2729 PRESSURE: 4886000 119.048 -1.96792 88.6845 -1.96825 32.67 65.2598 88.6846 65.2599 -371.193 GPRESSURE: 4886000 179.543 -31.8041 53.0934 62.5562 40.006 69.7283 104.038 126.332 -340.812 PRESSAVG: 4886000 149.199 14.8022 8.18962 14.8022 -3.09605 33.6526 8.18958 33.6525 -100.007 GPRESSAVG: 4886000 148.552 14.5949 8.23976 12.7599 -2.25032 34.373 9.72943 31.9031 -99.9596 TIMING: 4886000 CPU: 14699.2, 0.00301223/step Wall: 14699.2, 0.00301223/step, 0.0953873 hours remaining, 208.558594 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: 4886000 746.6795 2090.2851 1942.1018 131.2618 -205535.1349 17452.7685 0.0000 0.0000 34066.5513 -149105.4869 297.5117 -183172.0382 -149005.3732 299.3217 -73.1585 -40.4210 556874.5599 15.3651 15.4473 PRESSURE: 4886200 66.8883 86.6279 45.8543 86.6285 -79.587 -53.1291 45.8536 -53.1281 224.483 GPRESSURE: 4886200 137.776 105.949 99.3755 71.4064 -103.729 -81.295 35.0955 79.0562 264.366 PRESSAVG: 4886200 70.1532 31.8829 52.2976 31.883 -28.1779 12.0575 52.2976 12.0575 -13.4383 GPRESSAVG: 4886200 71.764 30.2375 50.9689 34.1475 -28.7651 11.9725 52.6809 14.3614 -14.3915 TIMING: 4886200 CPU: 14699.8, 0.00303645/step Wall: 14699.8, 0.00303645/step, 0.0959857 hours remaining, 208.558594 MB of memory in use. ENERGY: 4886200 725.4772 2036.8630 1950.8440 113.7346 -206260.8707 17795.6249 0.0000 0.0000 34362.6446 -149275.6825 300.0975 -183638.3271 -149177.5226 299.6053 70.5948 99.4713 555740.5716 9.5123 9.5358 PRESSURE: 4886400 29.1445 146.857 76.7136 146.857 41.6802 15.1328 76.7138 15.1328 142.653 GPRESSURE: 4886400 45.8873 150.414 80.0749 54.0966 65.2089 -50.6601 16.8266 85.9884 202.933 PRESSAVG: 4886400 -4.57923 21.9341 -15.778 21.9341 -11.786 58.303 -15.7781 58.3029 6.87646 GPRESSAVG: 4886400 -4.47921 22.9382 -15.123 20.4751 -12.186 61.2106 -17.0573 55.6507 7.1018 TIMING: 4886400 CPU: 14700.5, 0.00305761/step Wall: 14700.5, 0.00305761/step, 0.0964844 hours remaining, 208.558594 MB of memory in use. ENERGY: 4886400 728.8915 2054.3027 1930.0253 117.9742 -206286.3296 17797.9684 0.0000 0.0000 34519.1139 -149138.0536 301.4640 -183657.1675 -149034.2079 299.5505 71.1594 104.6763 555658.0229 -3.1629 -3.1878 PRESSURE: 4886600 -77.0472 60.0668 -180.183 60.0671 169.691 -39.217 -180.183 -39.2186 -53.7243 GPRESSURE: 4886600 -69.5258 96.9797 -228.948 91.2356 221.743 14.3986 -182.114 -38.3771 -18.5294 PRESSAVG: 4886600 -2.48264 40.4986 17.0873 40.4986 3.40235 24.9663 17.0873 24.9662 1.087 GPRESSAVG: 4886600 -3.57462 39.3683 17.228 42.358 4.595 24.0475 17.631 26.2112 0.647786 TIMING: 4886600 CPU: 14701.1, 0.00303633/step Wall: 14701.1, 0.00303633/step, 0.0956445 hours remaining, 208.558594 MB of memory in use. ENERGY: 4886600 724.3958 2058.3968 1934.1153 123.0344 -206041.2218 17755.3619 0.0000 0.0000 34282.1608 -149163.7568 299.3946 -183445.9175 -149066.8122 299.1021 12.9732 44.5625 557639.2589 0.6689 0.5561 PRESSURE: 4886800 -77.7766 -7.28425 -7.28673 -7.2829 -114.37 111.098 -7.28712 111.098 43.9114 GPRESSURE: 4886800 -62.4145 7.48717 -155.708 65.0117 7.92381 183.709 91.3147 63.0524 8.93428 PRESSAVG: 4886800 -1.76327 -18.2963 2.77356 -18.2963 59.7761 30.8673 2.77365 30.8673 -57.66 GPRESSAVG: 4886800 -0.949871 -15.9291 3.34759 -20.6733 58.9628 30.7934 2.70859 31.5787 -57.8026 TIMING: 4886800 CPU: 14701.7, 0.00304648/step Wall: 14701.7, 0.00304648/step, 0.0957947 hours remaining, 208.558594 MB of memory in use. ENERGY: 4886800 752.4175 2058.6241 1931.9940 120.6203 -205910.2700 17539.8842 0.0000 0.0000 34445.6888 -149061.0412 300.8228 -183506.7299 -148959.7657 299.6726 -49.4118 -15.1855 557662.3161 0.1176 0.0701 PRESSURE: 4887000 -27.6099 35.7338 -8.15308 35.7346 -64.5521 19.2457 -8.15445 19.2458 18.8195 GPRESSURE: 4887000 -48.5631 33.5937 -51.8979 13.8669 -20.5251 46.1033 50.232 24.4608 97.2451 PRESSAVG: 4887000 -28.0337 -46.2144 69.7653 -46.2144 28.042 52.4127 69.7653 52.4128 17.075 GPRESSAVG: 4887000 -28.4684 -44.4738 70.0467 -47.2198 28.0675 52.5526 69.2615 50.725 17.6295 TIMING: 4887000 CPU: 14702.3, 0.00304604/step Wall: 14702.3, 0.00304604/step, 0.0956117 hours remaining, 208.558594 MB of memory in use. ENERGY: 4887000 806.6269 2102.7449 1961.0119 106.4817 -206207.6589 17963.9429 0.0000 0.0000 34274.6156 -148992.2350 299.3287 -183266.8506 -148895.5593 300.7073 -24.4475 9.3856 557626.4848 5.6944 5.7429 PRESSURE: 4887200 -286.369 -37.9373 88.7644 -37.9378 195.584 -181.916 88.7645 -181.913 -28.9015 GPRESSURE: 4887200 -223.859 5.36668 26.0518 -66.4939 192.027 -150.109 166.505 -192.784 3.70491 PRESSAVG: 4887200 -41.4594 -10.7243 58.7351 -10.7242 119.946 -9.09038 58.7352 -9.09044 -61.2934 GPRESSAVG: 4887200 -41.3059 -13.9478 55.3877 -11.1205 119.44 -10.7721 59.7166 -6.63413 -60.4525 TIMING: 4887200 CPU: 14702.9, 0.00302603/step Wall: 14702.9, 0.00302603/step, 0.0948155 hours remaining, 208.558594 MB of memory in use. ENERGY: 4887200 756.9290 2136.4268 1946.7273 104.5070 -206085.7806 17694.6606 0.0000 0.0000 34322.1838 -149124.3463 299.7442 -183446.5300 -149021.0476 299.6467 -39.8954 -9.3758 556458.3655 5.7312 5.8939 PRESSURE: 4887400 84.1421 137.963 80.8619 137.962 -119.455 -14.4977 80.8612 -14.498 -199.812 GPRESSURE: 4887400 97.937 164.537 122.157 156.18 -60.4578 -33.6272 14.3617 46.6106 -173.969 PRESSAVG: 4887400 1.63039 62.2147 28.8668 62.2148 33.0516 -54.5276 28.8669 -54.5277 -28.4923 GPRESSAVG: 4887400 2.14703 60.6723 31.7252 64.6362 33.6857 -53.3891 28.3155 -55.7219 -29.7632 TIMING: 4887400 CPU: 14703.5, 0.00299554/step Wall: 14703.5, 0.00299554/step, 0.0936939 hours remaining, 208.558594 MB of memory in use. ENERGY: 4887400 759.9447 2130.5147 1977.0593 108.1723 -205840.6179 17669.3420 0.0000 0.0000 34111.9394 -149083.6456 297.9081 -183195.5849 -148989.2503 300.0832 -78.3751 -45.4967 557150.4249 2.0633 2.0232 PRESSURE: 4887600 -49.1906 -53.586 155.539 -53.5858 -40.4655 -103.437 155.54 -103.436 -9.54682 GPRESSURE: 4887600 37.2396 -18.926 163.455 -103.582 -55.0982 -95.1711 111.163 -115.495 18.3903 PRESSAVG: 4887600 127.653 56.2763 21.6481 56.2764 -80.6353 -5.43854 21.6482 -5.43845 -28.1708 GPRESSAVG: 4887600 127.474 57.7308 20.4347 56.287 -81.4327 -7.17069 21.4277 -4.71721 -27.9316 TIMING: 4887600 CPU: 14704.1, 0.00299122/step Wall: 14704.1, 0.00299122/step, 0.0933925 hours remaining, 208.558594 MB of memory in use. ENERGY: 4887600 765.8291 2079.7180 1967.2805 112.8412 -206031.6191 17681.8557 0.0000 0.0000 34295.6566 -149128.4380 299.5125 -183424.0946 -149028.6139 299.3115 -33.0676 0.1772 556988.2028 6.2824 6.0366 PRESSURE: 4887800 -491.493 -110.381 143.441 -110.381 -116.413 22.1403 143.441 22.1401 -62.4965 GPRESSURE: 4887800 -465.132 -94.0029 210.442 -87.5949 -82.5671 91.5773 87.2183 -37.1194 -10.7605 PRESSAVG: 4887800 9.95955 0.756724 43.6143 0.75674 -16.1359 -21.7762 43.6142 -21.7762 -12.0527 GPRESSAVG: 4887800 8.79505 2.49209 45.7795 -1.09077 -14.4665 -18.1471 42.2854 -23.0333 -11.8031 TIMING: 4887800 CPU: 14704.7, 0.00300138/step Wall: 14704.7, 0.00300138/step, 0.0935429 hours remaining, 208.558594 MB of memory in use. ENERGY: 4887800 758.7734 2065.7470 1944.1061 125.4172 -205655.5642 17350.4039 0.0000 0.0000 34190.7731 -149220.3435 298.5965 -183411.1166 -149120.9448 300.1619 -223.4675 -186.1532 557979.8002 -6.0763 -5.8248 PRESSURE: 4888000 122.124 -136.92 157.031 -136.921 98.2488 -83.9757 157.032 -83.9748 -245.156 GPRESSURE: 4888000 105.792 -116.277 287.868 -85.6647 129.501 10.7961 46.1592 -101.731 -168.202 PRESSAVG: 4888000 12.0298 -45.0134 15.8969 -45.0135 -8.98306 6.50511 15.8968 6.50513 -8.9822 GPRESSAVG: 4888000 11.605 -48.1142 14.8571 -42.598 -9.24127 2.52656 16.2464 6.20234 -8.91858 TIMING: 4888000 CPU: 14705.3, 0.0029837/step Wall: 14705.3, 0.0029837/step, 0.0928261 hours remaining, 208.558594 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: 4888000 735.3556 2057.0449 1950.5967 129.1268 -206143.9836 17863.0737 0.0000 0.0000 34170.7145 -149238.0714 298.4213 -183408.7859 -149144.6714 298.8841 -8.2610 22.3638 558222.7236 -1.9785 -2.1849 PRESSURE: 4888200 -126.579 -77.1049 37.982 -77.1024 -281.419 -160.193 37.9815 -160.193 -476.49 GPRESSURE: 4888200 -165.985 -6.2178 6.249 -120.447 -275.69 -227.102 -39.9093 -88.251 -348.168 PRESSAVG: 4888200 -20.8533 -19.2515 -51.1928 -19.2514 -35.2263 -19.3293 -51.1928 -19.3293 51.6513 GPRESSAVG: 4888200 -19.818 -16.7486 -51.1287 -22.7829 -36.5187 -17.6549 -52.6987 -18.7156 51.761 TIMING: 4888200 CPU: 14705.9, 0.00301231/step Wall: 14705.9, 0.00301231/step, 0.093549 hours remaining, 208.558594 MB of memory in use. ENERGY: 4888200 736.3100 2077.7307 1954.8891 108.6392 -205543.7818 17345.9530 0.0000 0.0000 34304.8818 -149015.3779 299.5931 -183320.2597 -148919.1929 299.8048 -294.8292 -263.2807 558686.0877 -1.4761 -1.5252 LDB: ============= START OF LOAD BALANCING ============== 14709.3 LDB: ============== END OF LOAD BALANCING =============== 14709.3 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14709.3 LDB: ============= START OF LOAD BALANCING ============== 14709.6 LDB: Largest compute 4820 load 0.028901 is 24.5% of average load 0.118131 LDB: Average compute 0.001727 is 1.5% of average load 0.118131 LDB: TIME 14709.6 LOAD: AVG 0.118131 MAX 0.211839 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.047 MB LDB: TIME 14709.6 LOAD: AVG 0.118131 MAX 0.211839 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.047 MB LDB: TIME 14709.6 LOAD: AVG 0.118131 MAX 0.211839 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.047 MB LDB: ============== END OF LOAD BALANCING =============== 14709.6 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14709.6 PRESSURE: 4888400 -220.654 -83.1284 -12.5303 -83.1287 -2.97554 -139.449 -12.5308 -139.45 106.085 GPRESSURE: 4888400 -215.665 -46.2388 -112.196 -45.9861 44.9138 -197.997 31.6377 -172.614 154.399 PRESSAVG: 4888400 -33.4369 -68.9794 3.83728 -68.9793 11.5547 -55.547 3.83734 -55.5471 30.5232 GPRESSAVG: 4888400 -32.2749 -70.0722 3.29823 -66.9055 11.1855 -54.9715 6.81991 -56.2689 29.6934 TIMING: 4888400 CPU: 14706.5, 0.00306075/step Wall: 14706.5, 0.00306075/step, 0.0948833 hours remaining, 207.277344 MB of memory in use. ENERGY: 4888400 764.1304 2073.2827 1932.9086 115.2105 -205943.9602 17788.7258 0.0000 0.0000 34265.2458 -149004.4563 299.2469 -183269.7021 -148911.7087 299.3963 -39.1813 -5.4505 558494.8194 2.8803 2.8680 PRESSURE: 4888600 380.465 14.3806 129.206 14.3805 223.676 75.4263 129.206 75.4283 -23.3708 GPRESSURE: 4888600 394.546 98.0867 94.6312 -11.4783 262.438 139.671 100.668 109.533 18.3593 PRESSAVG: 4888600 -34.8441 14.9488 -13.8225 14.9488 26.3209 -16.0916 -13.8225 -16.0915 0.457808 GPRESSAVG: 4888600 -36.0113 14.6523 -14.4316 15.169 26.2661 -14.8879 -15.8057 -14.5715 1.33847 TIMING: 4888600 CPU: 14707.1, 0.00305503/step Wall: 14707.1, 0.00305503/step, 0.0945361 hours remaining, 207.476562 MB of memory in use. ENERGY: 4888600 767.5444 2041.3844 1933.8535 108.0949 -206205.0210 18218.7436 0.0000 0.0000 34205.6275 -148929.7727 298.7263 -183135.4003 -148840.5274 299.4694 193.5899 225.1146 557630.0476 -2.6885 -2.8023 PRESSURE: 4888800 70.6328 -17.595 -79.0963 -17.5956 -170.946 134.805 -79.0971 134.805 -169.331 GPRESSURE: 4888800 87.0037 -112.232 -91.3998 26.8424 -85.3117 131.434 -34.6528 166.107 -162.275 PRESSAVG: 4888800 89.6725 -14.9086 -7.3865 -14.9087 6.74382 18.9581 -7.38652 18.958 -85.204 GPRESSAVG: 4888800 90.5004 -15.7034 -6.99517 -15.5391 6.96807 18.0437 -5.76426 16.401 -86.3474 TIMING: 4888800 CPU: 14707.7, 0.00302809/step Wall: 14707.7, 0.00302809/step, 0.0935344 hours remaining, 207.476562 MB of memory in use. ENERGY: 4888800 754.7893 2125.9394 1939.7777 108.6651 -206266.2356 17825.1509 0.0000 0.0000 34469.3522 -149042.5608 301.0294 -183511.9130 -148946.0015 299.3884 -89.8813 -53.5278 557696.1647 3.7374 3.7070 PRESSURE: 4889000 -189.42 -79.7575 96.9124 -79.7572 98.7951 118.223 96.9122 118.222 -80.2274 GPRESSURE: 4889000 -204.147 -141.732 28.1173 -97.8369 140.021 177.396 67.3494 145.993 -17.6334 PRESSAVG: 4889000 59.7171 -42.0578 39.7817 -42.0577 -24.4506 0.408615 39.7817 0.408643 9.98398 GPRESSAVG: 4889000 59.1685 -39.3368 39.5888 -41.2323 -25.4075 -0.277765 38.131 0.930827 11.2323 TIMING: 4889000 CPU: 14708.3, 0.00304726/step Wall: 14708.3, 0.00304726/step, 0.0939573 hours remaining, 207.476562 MB of memory in use. ENERGY: 4889000 750.9514 2130.5058 1938.5219 111.5484 -205836.0318 17703.1713 0.0000 0.0000 34244.7281 -148956.6048 299.0677 -183201.3329 -148856.1123 300.3494 -56.9507 -27.2529 558277.5946 15.0835 14.9977 PRESSURE: 4889200 -103.464 34.9028 28.2684 34.9032 -123.316 -54.9729 28.2684 -54.9736 15.6047 GPRESSURE: 4889200 -25.0733 73.0902 24.5444 5.45556 -111.338 -72.6341 14.5088 -106.417 12.7615 PRESSAVG: 4889200 -29.5146 39.9359 10.011 39.9359 -13.5054 -21.3713 10.0109 -21.3713 44.7614 GPRESSAVG: 4889200 -29.8323 37.949 11.0742 36.8302 -12.1328 -20.2913 11.1019 -21.9504 44.2295 TIMING: 4889200 CPU: 14708.9, 0.00305992/step Wall: 14708.9, 0.00305992/step, 0.0941775 hours remaining, 207.476562 MB of memory in use. ENERGY: 4889200 759.5515 2057.0739 1948.7351 102.8894 -205646.9205 17648.0601 0.0000 0.0000 34282.3121 -148848.2984 299.3960 -183130.6105 -148755.1768 299.6054 -70.3916 -41.2166 559699.0065 0.5805 0.7548 PRESSURE: 4889400 -142.58 -122.975 -103.429 -122.976 -68.3617 -17.9417 -103.43 -17.9412 -161.335 GPRESSURE: 4889400 -123.286 -189.873 -158.51 -67.9207 -38.8622 -5.48061 -74.7659 -57.5042 -108.644 PRESSAVG: 4889400 -21.2143 24.9667 2.57757 24.9668 42.8256 13.0251 2.57763 13.025 31.9859 GPRESSAVG: 4889400 -20.14 25.1978 1.56822 26.1987 43.0745 14.0759 1.68399 13.7132 30.2759 TIMING: 4889400 CPU: 14709.5, 0.00305388/step Wall: 14709.5, 0.00305388/step, 0.0938219 hours remaining, 207.476562 MB of memory in use. ENERGY: 4889400 742.0581 2063.3520 1973.7228 105.8847 -205646.6998 17618.9623 0.0000 0.0000 34270.2326 -148872.4873 299.2905 -183142.7199 -148776.8260 300.2961 -124.0921 -90.2641 559181.9564 17.8658 17.7368 PRESSURE: 4889600 239.284 125.951 -3.50527 125.952 -87.9279 57.9661 -3.50551 57.9661 68.0065 GPRESSURE: 4889600 212.537 133.961 -15.3653 145.843 -6.1704 16.3205 -54.9194 15.5955 121.507 PRESSAVG: 4889600 19.5232 8.93448 5.27593 8.93453 -38.0059 36.3538 5.27596 36.3537 34.3432 GPRESSAVG: 4889600 18.7115 9.13343 6.37917 9.27082 -37.1021 37.3287 4.71212 34.9734 35.1374 TIMING: 4889600 CPU: 14710.1, 0.00305009/step Wall: 14710.1, 0.00305009/step, 0.0935361 hours remaining, 207.476562 MB of memory in use. ENERGY: 4889600 720.3739 2126.1271 1938.0241 128.2748 -206053.7608 17887.5973 0.0000 0.0000 34315.2044 -148938.1592 299.6832 -183253.3637 -148841.3629 300.4028 73.1208 109.2911 556436.9651 5.2868 5.5823 PRESSURE: 4889800 166.216 169.216 -35.0068 169.218 -4.79469 -25.3228 -35.0073 -25.3254 -60.0601 GPRESSURE: 4889800 214.857 163.667 -23.1344 172.287 24.9169 6.88207 -71.6201 -78.461 -33.9468 PRESSAVG: 4889800 60.3771 34.5589 -16.9661 34.5588 -47.1101 7.85846 -16.966 7.85846 -13.0021 GPRESSAVG: 4889800 60.5238 34.2697 -15.3808 35.2975 -47.8719 5.52754 -14.125 10.0278 -12.3046 TIMING: 4889800 CPU: 14710.8, 0.00303446/step Wall: 14710.8, 0.00303446/step, 0.0928881 hours remaining, 207.476562 MB of memory in use. ENERGY: 4889800 801.6265 2015.7804 1958.0882 119.5608 -206005.8907 17921.7307 0.0000 0.0000 34155.7981 -149033.3060 298.2911 -183189.1041 -148932.8931 299.9396 33.7870 68.6090 557680.3290 0.0883 0.1158 PRESSURE: 4890000 -133.978 47.1557 -76.4045 47.1562 -37.1089 -12.6508 -76.4054 -12.6511 -17.9758 GPRESSURE: 4890000 -137.286 96.4672 -43.2611 -36.1066 18.6518 -37.0666 -26.5754 26.2649 35.558 PRESSAVG: 4890000 3.4307 41.2164 33.7204 41.2165 25.7458 28.5968 33.7203 28.5967 -51.8132 GPRESSAVG: 4890000 3.8167 41.5385 31.4482 39.6601 24.8274 27.9051 32.1446 27.9855 -51.5912 TIMING: 4890000 CPU: 14711.4, 0.00302316/step Wall: 14711.4, 0.00302316/step, 0.0923744 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: 4890000 752.9949 2106.3226 1952.2642 105.9601 -206200.1689 17681.3790 0.0000 0.0000 34315.1421 -149286.1059 299.6827 -183601.2481 -149191.8242 299.5358 -63.0208 -27.6920 556802.7884 -7.5455 -7.6490 PRESSURE: 4890200 231.689 -60.6125 28.3653 -60.6114 141.977 -62.2039 28.3652 -62.2031 -80.6677 GPRESSURE: 4890200 237.956 -23.6886 86.1077 -118.452 163.882 -86.7242 40.0793 -110.992 -19.1161 PRESSAVG: 4890200 1.05836 22.5009 86.031 22.5009 5.19234 32.9941 86.031 32.9942 -7.61417 GPRESSAVG: 4890200 0.204484 22.9287 87.1841 24.2843 5.98153 35.1463 87.0076 32.6337 -7.42303 TIMING: 4890200 CPU: 14712, 0.00302609/step Wall: 14712, 0.00302609/step, 0.0922957 hours remaining, 207.476562 MB of memory in use. ENERGY: 4890200 729.8549 2036.7482 1942.5076 122.6692 -206552.2576 17959.7548 0.0000 0.0000 34445.9260 -149314.7968 300.8248 -183760.7228 -149220.0812 299.2634 97.6662 127.5739 556533.1145 -0.4545 -0.4123 PRESSURE: 4890400 -123.473 34.4641 -166.604 34.4633 119.174 58.0422 -166.604 58.0419 170.799 GPRESSURE: 4890400 -117.074 15.4352 -86.2806 -48.2698 178.456 -21.2732 -100.912 53.3644 206.207 PRESSAVG: 4890400 -22.7804 -26.3138 48.3561 -26.3138 85.0233 -4.80619 48.3561 -4.80628 -54.3274 GPRESSAVG: 4890400 -21.5187 -27.5081 49.2923 -26.5392 85.3252 -6.49889 46.4033 -2.74102 -56.3039 TIMING: 4890400 CPU: 14712.6, 0.00301417/step Wall: 14712.6, 0.00301417/step, 0.0917646 hours remaining, 207.476562 MB of memory in use. ENERGY: 4890400 705.2299 2044.8782 1934.9081 114.7758 -206207.4576 17927.5059 0.0000 0.0000 34252.2705 -149227.8892 299.1336 -183480.1597 -149128.6412 298.5771 55.4998 89.1961 557628.3105 2.6385 2.5009 PRESSURE: 4890600 119.863 174.531 92.621 174.532 124.029 65.3696 92.6207 65.3695 301.012 GPRESSURE: 4890600 94.3157 104.077 84.4285 224.001 188.547 49.7266 133.192 23.5697 350.305 PRESSAVG: 4890600 -3.29307 79.825 26.851 79.8251 9.50104 -8.57311 26.851 -8.57315 14.0174 GPRESSAVG: 4890600 -4.47141 79.8036 25.9758 79.6422 9.23429 -6.58164 27.9124 -8.81665 15.7241 TIMING: 4890600 CPU: 14713.2, 0.00300353/step Wall: 14713.2, 0.00300353/step, 0.0912741 hours remaining, 207.476562 MB of memory in use. ENERGY: 4890600 766.9276 2065.6209 1929.9509 103.2662 -206573.1005 18139.3984 0.0000 0.0000 34439.1866 -149128.7500 300.7660 -183567.9366 -149034.5215 298.5701 181.6347 211.0562 557222.1858 6.7418 6.8290 PRESSURE: 4890800 106.515 12.0925 -79.6099 12.0926 -32.1678 -92.8114 -79.6091 -92.8104 -66.6168 GPRESSURE: 4890800 93.5462 75.5809 -106.858 -24.0411 40.9139 -92.1379 -43.3344 -52.971 -40.3005 PRESSAVG: 4890800 -28.2183 16.0414 27.5474 16.0414 29.6692 -4.88364 27.5474 -4.88358 -15.8741 GPRESSAVG: 4890800 -27.6367 16.1026 26.4122 15.4182 29.9891 -6.50811 28.3567 -5.66532 -16.93 TIMING: 4890800 CPU: 14713.8, 0.0030521/step Wall: 14713.8, 0.0030521/step, 0.0925803 hours remaining, 207.476562 MB of memory in use. ENERGY: 4890800 747.3114 2012.0779 1962.1540 119.6480 -206142.2157 17877.6054 0.0000 0.0000 34303.2015 -149120.2176 299.5784 -183423.4190 -149023.0404 299.3700 2.5768 31.3865 557835.8184 -4.8077 -4.8592 PRESSURE: 4891000 86.7347 94.7693 163.196 94.7679 38.06 -35.5185 163.196 -35.5176 102.15 GPRESSURE: 4891000 140.684 115.884 134.044 -25.2182 37.2365 18.6724 134.545 -85.1363 149.069 PRESSAVG: 4891000 26.1707 69.0746 55.1397 69.0745 7.40273 -38.4363 55.1396 -38.4363 -23.2426 GPRESSAVG: 4891000 26.7325 69.475 56.4385 69.1721 6.59866 -37.9533 52.6169 -39.2498 -22.5874 TIMING: 4891000 CPU: 14714.4, 0.00305639/step Wall: 14714.4, 0.00305638/step, 0.0925405 hours remaining, 207.476562 MB of memory in use. ENERGY: 4891000 725.5729 2086.0417 1944.2343 125.2576 -206066.9406 17731.7635 0.0000 0.0000 34329.3503 -149124.7203 299.8068 -183454.0706 -149024.8759 298.7462 75.6482 108.9965 556264.9256 3.4436 3.5812 PRESSURE: 4891200 -275.105 -110.03 -9.05945 -110.032 -215.065 -129.318 -9.05899 -129.317 -206.732 GPRESSURE: 4891200 -262.802 -27.4863 40.1927 -190.145 -211.602 -84.8115 -26.6811 -193.804 -129.917 PRESSAVG: 4891200 24.8001 -16.3722 -3.70156 -16.3721 43.8433 4.67881 -3.70155 4.67876 -34.8715 GPRESSAVG: 4891200 24.0314 -14.8187 -5.72233 -16.808 44.317 6.27634 -3.19609 4.6129 -34.7611 TIMING: 4891200 CPU: 14715, 0.00303221/step Wall: 14715, 0.00303221/step, 0.0916402 hours remaining, 207.476562 MB of memory in use. ENERGY: 4891200 758.9683 2022.3706 1946.5188 115.2426 -205559.2474 17277.7230 0.0000 0.0000 34306.3309 -149132.0931 299.6057 -183438.4240 -149031.7837 299.6601 -232.3004 -201.4400 557215.9123 11.2573 11.1958 PRESSURE: 4891400 -12.6327 46.9 -36.3674 46.9005 38.7188 130.555 -36.3684 130.553 -80.7503 GPRESSURE: 4891400 25.78 -49.3812 -108.071 64.3084 59.5181 105.737 -10.1915 65.8299 -42.3028 PRESSAVG: 4891400 -72.3224 0.938176 56.499 0.938222 93.7093 -37.5255 56.4988 -37.5255 -63.4449 GPRESSAVG: 4891400 -71.7616 -0.298067 55.2819 1.33932 93.2039 -39.5742 57.8473 -33.7862 -63.5731 TIMING: 4891400 CPU: 14715.6, 0.00305215/step Wall: 14715.6, 0.00305215/step, 0.0920731 hours remaining, 207.476562 MB of memory in use. ENERGY: 4891400 672.9925 2023.1002 1958.5752 115.5995 -205980.1714 17882.6765 0.0000 0.0000 34057.0977 -149270.1298 297.4291 -183327.2275 -149174.9017 299.4595 -18.2214 14.3318 559153.9521 -14.0193 -14.0436 PRESSURE: 4891600 27.3042 -20.3855 -50.5908 -20.3853 -152.396 -88.0984 -50.5911 -88.0978 -96.5197 GPRESSURE: 4891600 70.1194 48.5511 -85.4806 -72.3943 -150.828 -138.507 -99.8046 -65.4204 -45.9593 PRESSAVG: 4891600 -1.25055 22.0995 26.7871 22.0995 -35.1622 10.0343 26.7872 10.0343 37.1958 GPRESSAVG: 4891600 -1.97608 21.7575 31.4425 23.0916 -34.195 12.3023 24.3852 5.21577 37.6021 TIMING: 4891600 CPU: 14716.2, 0.00304084/step Wall: 14716.2, 0.00304084/step, 0.0915632 hours remaining, 207.476562 MB of memory in use. ENERGY: 4891600 753.5834 2028.9590 1930.7483 108.2822 -206126.0456 17783.6641 0.0000 0.0000 34154.7695 -149366.0392 298.2821 -183520.8087 -149276.5782 298.0984 -73.8706 -42.2228 557846.6867 0.2610 0.4770 PRESSURE: 4891800 -321.395 -129.133 201.667 -129.132 75.3939 -105.016 201.668 -105.017 -28.1206 GPRESSURE: 4891800 -278.943 -106.739 217.067 -233.712 97.4781 -4.04306 193.445 -187.117 3.84735 PRESSAVG: 4891800 27.8522 -54.0354 -36.7931 -54.0354 27.2649 15.5262 -36.7932 15.526 -13.0873 GPRESSAVG: 4891800 28.35 -52.8258 -40.0004 -55.2941 26.7824 14.2289 -35.5613 16.4849 -13.4622 TIMING: 4891800 CPU: 14716.8, 0.00304039/step Wall: 14716.8, 0.00304039/step, 0.0913805 hours remaining, 207.476562 MB of memory in use. ENERGY: 4891800 719.1272 2058.1067 1930.7997 109.0247 -206253.0849 17752.2627 0.0000 0.0000 34253.5448 -149430.2191 299.1447 -183683.7638 -149333.1210 298.6743 -91.3740 -59.2057 558696.5038 14.0099 13.8901 PRESSURE: 4892000 -169.993 -22.7636 28.1656 -22.7629 -279.14 -41.7759 28.1643 -41.7754 -193.524 GPRESSURE: 4892000 -124.066 -34.8607 67.797 22.109 -253.605 15.0524 11.3655 -49.6816 -154.879 PRESSAVG: 4892000 3.52255 -10.214 33.6064 -10.2141 31.0792 -30.0405 33.6064 -30.0405 -33.5299 GPRESSAVG: 4892000 3.66436 -11.0691 34.9105 -8.92049 31.3589 -29.8632 34.0167 -30.4343 -33.572 TIMING: 4892000 CPU: 14717.4, 0.00303211/step Wall: 14717.4, 0.00303211/step, 0.0909632 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: 4892000 728.7801 2029.5329 1948.8366 97.8131 -206080.5552 17480.1215 0.0000 0.0000 34132.8993 -149662.5718 298.0911 -183795.4711 -149565.9808 298.3420 -214.2192 -177.5170 557093.8394 0.3573 0.4838 PRESSURE: 4892200 134.164 -3.86636 -3.82726 -3.86772 -76.5238 105.464 -3.8275 105.461 -218.517 GPRESSURE: 4892200 196.351 -4.914 -25.5119 -55.7365 -32.3539 187.078 25.47 86.9261 -229.655 PRESSAVG: 4892200 -21.808 -37.5027 75.8134 -37.5027 -49.4694 -24.3241 75.8135 -24.3241 51.5041 GPRESSAVG: 4892200 -21.8964 -37.8561 73.7417 -35.3426 -49.1671 -25.7841 76.3104 -21.0318 51.2116 TIMING: 4892200 CPU: 14718, 0.00305172/step Wall: 14718, 0.00305172/step, 0.091382 hours remaining, 207.476562 MB of memory in use. ENERGY: 4892200 755.9965 2034.4605 1937.2219 120.1639 -205935.2025 17566.8384 0.0000 0.0000 33944.5487 -149575.9726 296.4462 -183520.5213 -149487.4076 297.8484 -53.6256 -21.8859 555694.0530 -6.5911 -6.6173 LDB: ============= START OF LOAD BALANCING ============== 14721.5 LDB: ============== END OF LOAD BALANCING =============== 14721.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14721.5 LDB: ============= START OF LOAD BALANCING ============== 14721.8 LDB: Largest compute 4820 load 0.027964 is 23.7% of average load 0.118222 LDB: Average compute 0.001729 is 1.5% of average load 0.118222 LDB: TIME 14721.8 LOAD: AVG 0.118222 MAX 0.216492 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.559 MB LDB: TIME 14721.8 LOAD: AVG 0.118222 MAX 0.216492 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.559 MB LDB: TIME 14721.8 LOAD: AVG 0.118222 MAX 0.216492 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.559 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14721.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14721.8 PRESSURE: 4892400 -60.4332 -127.607 116.432 -127.608 -7.74348 -12.3499 116.433 -12.3489 -283.392 GPRESSURE: 4892400 46.7437 -152.632 156.592 -132.264 -27.1748 -17.698 87.6037 -44.8339 -279.592 PRESSAVG: 4892400 -41.2273 -57.3534 -42.6729 -57.3534 28.8708 -83.1612 -42.6729 -83.1611 8.76 GPRESSAVG: 4892400 -39.4785 -57.4072 -41.0942 -59.3918 27.9416 -80.404 -43.4761 -86.905 7.98462 TIMING: 4892400 CPU: 14718.7, 0.00310287/step Wall: 14718.7, 0.00310287/step, 0.0927412 hours remaining, 207.277344 MB of memory in use. ENERGY: 4892400 735.2046 2120.3655 1940.5801 121.9187 -206185.2681 17706.9697 0.0000 0.0000 34233.8582 -149326.3712 298.9728 -183560.2295 -149232.4351 298.3246 -117.1896 -86.6745 558030.0233 -1.1988 -1.1841 PRESSURE: 4892600 121.599 235.616 39.8192 235.617 264.822 -3.59776 39.8181 -3.5977 281.518 GPRESSURE: 4892600 109.9 130.729 96.6302 159.186 312.37 -81.2432 8.47203 -45.392 340.805 PRESSAVG: 4892600 -39.1473 -21.7523 42.8161 -21.7523 23.9421 -35.1637 42.8162 -35.1637 4.2565 GPRESSAVG: 4892600 -40.7237 -20.7879 43.7532 -22.0961 23.6828 -38.2164 41.4518 -33.3436 5.75899 TIMING: 4892600 CPU: 14719.3, 0.00301542/step Wall: 14719.3, 0.00301542/step, 0.08996 hours remaining, 207.277344 MB of memory in use. ENERGY: 4892600 739.0048 2045.2011 1963.5973 115.1886 -206524.2005 18170.9517 0.0000 0.0000 34264.3703 -149225.8866 299.2393 -183490.2569 -149135.2592 299.0893 222.6463 254.3585 556628.0025 -3.6496 -3.7606 PRESSURE: 4892800 62.7681 66.4851 -25.9671 66.4852 0.378419 134.15 -25.9675 134.15 201.147 GPRESSURE: 4892800 131.811 86.5804 5.89638 -53.9494 7.52408 188.201 -39.5946 40.2079 220.028 PRESSAVG: 4892800 29.4496 -9.24965 -29.0143 -9.24968 -59.0321 8.07064 -29.0143 8.07072 21.8096 GPRESSAVG: 4892800 30.2942 -10.2923 -29.4188 -8.8031 -57.3391 7.97935 -29.418 7.95258 19.7097 TIMING: 4892800 CPU: 14719.9, 0.00300868/step Wall: 14719.9, 0.00300868/step, 0.0895919 hours remaining, 207.277344 MB of memory in use. ENERGY: 4892800 740.5191 2063.8891 1945.0657 115.3713 -206336.5521 17769.3704 0.0000 0.0000 34287.9654 -149414.3710 299.4453 -183702.3363 -149309.1768 299.0136 88.0977 119.7876 557297.3569 -2.5910 -2.4451 PRESSURE: 4893000 -181.919 29.777 -29.6268 29.777 -102.706 129.147 -29.6264 129.147 179.825 GPRESSURE: 4893000 -126.314 94.4651 -81.7362 68.3089 -48.1927 95.8115 -69.0102 101.79 167.832 PRESSAVG: 4893000 38.9654 29.2725 -27.7022 29.2725 -16.4309 -30.9188 -27.7023 -30.9188 -4.88612 GPRESSAVG: 4893000 38.4606 28.6728 -30.2873 28.8287 -16.4605 -29.4112 -25.7969 -31.5131 -4.15579 TIMING: 4893000 CPU: 14720.5, 0.00301293/step Wall: 14720.5, 0.00301293/step, 0.089551 hours remaining, 207.277344 MB of memory in use. ENERGY: 4893000 707.0268 2039.0576 1954.7516 110.0448 -206289.5195 17702.8502 0.0000 0.0000 34115.0906 -149660.6979 297.9356 -183775.7885 -149566.9001 297.9764 -34.9333 -2.2249 555788.1958 5.8828 5.9481 PRESSURE: 4893200 -326.524 71.9826 -89.6145 71.9832 -150.938 -0.89364 -89.6138 -0.894747 15.6869 GPRESSURE: 4893200 -242.953 64.6076 -116.016 77.6736 -95.1434 -21.0516 -170.161 49.5211 -26.57 PRESSAVG: 4893200 -29.4221 -2.7766 -40.5037 -2.77653 -51.932 -67.4325 -40.5036 -67.4324 100.575 GPRESSAVG: 4893200 -29.109 -1.20588 -38.882 -1.96835 -51.1637 -67.8735 -42.1684 -66.0107 100.281 TIMING: 4893200 CPU: 14721.1, 0.00301712/step Wall: 14721.1, 0.00301712/step, 0.089508 hours remaining, 207.277344 MB of memory in use. ENERGY: 4893200 759.6187 2067.9272 1938.5719 107.0143 -206257.4626 17646.0226 0.0000 0.0000 34069.5060 -149668.8019 297.5375 -183738.3078 -149570.7326 297.9069 -153.9253 -121.5554 558044.5259 6.4069 6.6695 PRESSURE: 4893400 100.096 181.673 31.6133 181.674 -131.785 98.8374 31.6134 98.8381 -63.6174 GPRESSURE: 4893400 137.826 192.344 19.0078 80.2669 -132.494 47.4089 21.0502 103.148 -15.8264 PRESSAVG: 4893400 -1.33245 30.6305 -26.2218 30.6305 -38.8729 27.3777 -26.2217 27.3777 10.9492 GPRESSAVG: 4893400 -0.793498 28.621 -26.915 32.7059 -39.2705 27.8617 -26.1531 26.7079 11.4673 TIMING: 4893400 CPU: 14721.7, 0.00301594/step Wall: 14721.7, 0.00301594/step, 0.0893055 hours remaining, 207.277344 MB of memory in use. ENERGY: 4893400 741.8735 2006.4979 1922.6509 101.5603 -206732.5094 18000.0030 0.0000 0.0000 34272.0720 -149687.8518 299.3065 -183959.9238 -149592.6243 298.3333 -31.7690 -3.4980 558153.3146 -9.7520 -9.5323 PRESSURE: 4893600 161.59 154.166 -17.279 154.167 120.764 91.9259 -17.2778 91.9251 97.2057 GPRESSURE: 4893600 225.495 136.857 10.5067 161.503 183.367 67.1002 -34.1947 147.536 63.6556 PRESSAVG: 4893600 31.7786 15.8139 -35.1155 15.8138 -72.4225 21.582 -35.1155 21.5822 -20.6489 GPRESSAVG: 4893600 31.3592 16.3275 -33.2314 13.0132 -73.1167 20.0445 -36.3977 21.6529 -19.8092 TIMING: 4893600 CPU: 14722.3, 0.00301575/step Wall: 14722.3, 0.00301575/step, 0.0891321 hours remaining, 207.277344 MB of memory in use. ENERGY: 4893600 726.3613 2061.2664 1968.6688 104.2549 -206831.2347 18092.4331 0.0000 0.0000 34177.1321 -149701.1180 298.4774 -183878.2501 -149604.3278 297.5409 126.5198 157.5057 556522.6156 -20.4309 -20.5222 PRESSURE: 4893800 15.5112 47.8981 -237.838 47.8981 -14.4429 22.596 -237.837 22.5962 11.9677 GPRESSURE: 4893800 47.1424 108.28 -232.238 -14.7876 -0.139673 93.9689 -150.238 50.8639 62.9304 PRESSAVG: 4893800 17.9095 -2.20617 -23.8761 -2.20609 5.71135 71.7849 -23.8761 71.7848 -41.3716 GPRESSAVG: 4893800 19.375 -0.810219 -25.646 -3.5936 5.72217 71.2388 -22.7833 73.2389 -42.9635 TIMING: 4893800 CPU: 14722.9, 0.00302985/step Wall: 14722.9, 0.00302985/step, 0.0893806 hours remaining, 207.277344 MB of memory in use. ENERGY: 4893800 766.7691 2009.6959 1936.2219 113.0170 -206260.4902 17742.7033 0.0000 0.0000 34150.2934 -149541.7895 298.2430 -183692.0830 -149447.9583 298.0833 4.3453 36.6444 555076.1094 -5.9169 -5.9554 PRESSURE: 4894000 -104.621 -10.8692 85.2617 -10.8687 47.6108 -41.8372 85.2624 -41.836 95.497 GPRESSURE: 4894000 -101.196 41.5285 103.8 -44.2353 111.495 -4.01696 57.778 2.89885 118.59 PRESSAVG: 4894000 -26.4025 44.9919 -7.44474 44.992 -25.4487 19.0886 -7.44476 19.0886 79.6222 GPRESSAVG: 4894000 -27.9558 45.9266 -8.2356 46.9151 -25.792 20.6451 -4.77992 16.8072 81.4272 TIMING: 4894000 CPU: 14723.5, 0.00302071/step Wall: 14723.5, 0.00302071/step, 0.0889432 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: 4894000 751.4960 2082.2217 1935.5488 113.1765 -206235.4838 17710.5520 0.0000 0.0000 34254.4446 -149388.0442 299.1526 -183642.4888 -149299.4297 298.9317 12.8291 42.9632 556429.9663 9.2570 9.2265 PRESSURE: 4894200 -282.77 47.1034 -23.1735 47.103 52.1548 -97.7216 -23.1717 -97.7206 -134.868 GPRESSURE: 4894200 -250.061 54.4192 -33.0446 24.7699 98.9535 -54.8943 -62.3614 -100.27 -120.382 PRESSAVG: 4894200 -35.912 -10.4533 -10.667 -10.4533 3.7392 -30.2645 -10.6669 -30.2644 -2.18462 GPRESSAVG: 4894200 -35.466 -12.9764 -9.80354 -7.94667 3.68179 -31.3781 -15.1142 -29.1526 -2.62754 TIMING: 4894200 CPU: 14724.1, 0.00299527/step Wall: 14724.1, 0.00299527/step, 0.0880277 hours remaining, 207.277344 MB of memory in use. ENERGY: 4894200 780.4057 2046.6278 1966.4365 109.5284 -206342.6668 17885.9060 0.0000 0.0000 34295.1696 -149258.5927 299.5082 -183553.7623 -149159.9367 298.5173 -121.8279 -90.4965 557094.7948 -11.4525 -11.4706 PRESSURE: 4894400 101.056 169.417 -92.8223 169.417 101.502 -132.378 -92.8213 -132.379 -22.4874 GPRESSURE: 4894400 92.7533 51.1868 -17.7432 179.698 135.087 -118.782 -147.496 -127.231 51.1144 PRESSAVG: 4894400 -23.0843 -0.978448 -57.6294 -0.978414 -7.08652 -27.072 -57.6295 -27.072 -8.27835 GPRESSAVG: 4894400 -23.2927 1.26592 -56.9867 -4.23228 -7.04229 -26.1761 -56.0553 -28.6478 -8.41351 TIMING: 4894400 CPU: 14724.7, 0.0030351/step Wall: 14724.7, 0.0030351/step, 0.0890295 hours remaining, 207.277344 MB of memory in use. ENERGY: 4894400 742.2604 2069.7300 1940.1562 108.6173 -206282.0465 17898.3209 0.0000 0.0000 34210.8268 -149312.1350 298.7717 -183522.9618 -149215.1405 299.5097 60.0236 92.9850 556667.5157 -12.8164 -12.9162 PRESSURE: 4894600 -25.6844 -251.344 -71.9038 -251.345 -190.254 197.176 -71.9047 197.177 -100.731 GPRESSURE: 4894600 -15.974 -151.494 7.34902 -296.405 -137.74 105.36 -74.3745 270.029 -75.4379 PRESSAVG: 4894600 30.7959 3.26625 -21.0633 3.26617 8.53819 5.14618 -21.0634 5.1463 -10.9725 GPRESSAVG: 4894600 30.1169 3.26112 -21.5988 4.63369 8.92357 5.48202 -19.3407 5.52828 -11.0345 TIMING: 4894600 CPU: 14725.3, 0.00302723/step Wall: 14725.3, 0.00302723/step, 0.0886305 hours remaining, 207.277344 MB of memory in use. ENERGY: 4894600 754.5537 2089.7509 1936.9921 115.9031 -206410.2990 17906.9602 0.0000 0.0000 34336.3486 -149269.7905 299.8679 -183606.1390 -149171.6183 299.4156 -105.5566 -76.3839 558124.0530 9.4539 9.3353 PRESSURE: 4894800 6.05605 25.7583 -87.8772 25.7585 -220.27 127.664 -87.8764 127.664 -61.2827 GPRESSURE: 4894800 52.0933 -38.992 -62.2158 62.2284 -209.742 65.6817 -66.1403 183.107 -24.5604 PRESSAVG: 4894800 24.5517 21.913 -72.6217 21.913 -25.1828 34.9288 -72.6217 34.9287 28.0568 GPRESSAVG: 4894800 23.8277 18.8278 -73.8679 22.217 -23.2237 35.3639 -73.7096 33.6849 26.6993 TIMING: 4894800 CPU: 14725.9, 0.00304904/step Wall: 14725.9, 0.00304904/step, 0.0890999 hours remaining, 207.277344 MB of memory in use. ENERGY: 4894800 735.3023 2136.4250 1948.7412 114.2244 -206136.7419 17699.2671 0.0000 0.0000 34228.7892 -149273.9927 298.9285 -183502.7819 -149175.4947 299.7145 -91.8322 -60.7364 558208.1872 9.1419 9.1011 PRESSURE: 4895000 -152.006 44.3627 -2.23291 44.3641 22.4512 -4.94991 -2.23198 -4.94919 -101.428 GPRESSURE: 4895000 -88.0628 16.9584 11.7735 16.6836 65.8642 52.6934 -29.1977 -30.1993 -122.112 PRESSAVG: 4895000 -4.43049 1.16227 34.14 1.16226 -25.9574 24.0047 34.1399 24.0049 51.444 GPRESSAVG: 4895000 -3.66669 3.69132 33.4266 1.23288 -27.1217 22.9522 33.4837 26.6632 51.5177 TIMING: 4895000 CPU: 14726.5, 0.00304394/step Wall: 14726.5, 0.00304394/step, 0.0887817 hours remaining, 207.277344 MB of memory in use. ENERGY: 4895000 712.2169 2082.9772 1999.2768 110.7321 -206098.8615 17646.0578 0.0000 0.0000 34280.3477 -149267.2531 299.3788 -183547.6008 -149162.9476 299.0131 -76.9943 -48.1036 559022.8589 7.0187 6.9098 PRESSURE: 4895200 98.2808 -45.6081 36.245 -45.6082 34.1493 81.6221 36.2443 81.6209 107.172 GPRESSURE: 4895200 118.703 -100.18 4.06312 42.9399 84.6717 82.2626 6.86723 78.0301 130.474 PRESSAVG: 4895200 -21.0215 -21.6535 3.21877 -21.6536 9.73387 -14.9384 3.21877 -14.9384 -24.6043 GPRESSAVG: 4895200 -22.1458 -23.6589 5.12667 -22.3695 9.27844 -14.2962 3.2565 -17.5827 -23.0808 TIMING: 4895200 CPU: 14727.1, 0.00304259/step Wall: 14727.1, 0.00304259/step, 0.0885731 hours remaining, 207.277344 MB of memory in use. ENERGY: 4895200 721.0231 2119.1565 1953.0651 112.7252 -206082.4889 17752.2616 0.0000 0.0000 34063.2043 -149361.0532 297.4824 -183424.2575 -149265.9641 299.3509 79.8672 111.2826 556716.9216 -11.9640 -11.9827 PRESSURE: 4895400 -5.63413 66.9022 -44.6059 66.9016 5.33818 36.5225 -44.605 36.5224 -262.967 GPRESSURE: 4895400 59.357 37.6527 -18.8609 73.5436 -43.3617 65.7047 -8.64035 76.4603 -187.129 PRESSAVG: 4895400 -43.0767 11.4597 -59.7297 11.4596 9.34553 34.335 -59.7297 34.3348 32.7676 GPRESSAVG: 4895400 -42.4115 13.3545 -59.038 12.4951 9.98471 35.1873 -60.1277 34.5596 31.0487 TIMING: 4895400 CPU: 14727.7, 0.00304964/step Wall: 14727.7, 0.00304964/step, 0.0886089 hours remaining, 207.277344 MB of memory in use. ENERGY: 4895400 769.3620 2095.7744 1949.8995 129.3927 -206460.9166 17949.0868 0.0000 0.0000 34343.0391 -149224.3622 299.9263 -183567.4013 -149115.9100 299.4668 -87.7544 -57.0447 559642.5257 -0.3212 -0.4594 PRESSURE: 4895600 -335.669 42.7165 54.7856 42.7165 -114.472 -163.692 54.7859 -163.693 126.634 GPRESSURE: 4895600 -269.843 100.359 3.21072 75.9107 -89.7939 -160.932 45.1923 -165.434 140.704 PRESSAVG: 4895600 41.2949 35.8086 -13.3415 35.8086 -33.7369 -43.2377 -13.3413 -43.2376 2.67866 GPRESSAVG: 4895600 41.2632 34.2447 -13.4556 37.9847 -34.8901 -45.0558 -13.6329 -39.5962 3.6195 TIMING: 4895600 CPU: 14728.4, 0.00306117/step Wall: 14728.4, 0.00306117/step, 0.088774 hours remaining, 207.277344 MB of memory in use. ENERGY: 4895600 766.8657 2100.1457 2011.1721 105.4414 -206443.5365 17949.2857 0.0000 0.0000 34375.5409 -149135.0849 300.2101 -183510.6259 -149039.8576 299.4725 -107.8360 -72.9778 558414.8443 3.4122 3.3309 PRESSURE: 4895800 -1.30095 11.6952 -19.7334 11.6944 -43.5018 -74.1992 -19.7345 -74.1985 -1.7742 GPRESSURE: 4895800 -0.0799645 -26.6753 47.4554 47.6304 -21.1576 -106.997 -93.44 -8.08427 74.0717 PRESSAVG: 4895800 -22.1042 16.1569 -47.714 16.1568 -91.0656 -30.0345 -47.7141 -30.0345 71.9046 GPRESSAVG: 4895800 -22.3821 17.0595 -48.6368 12.2693 -90.7514 -30.4768 -48.4242 -31.2783 71.569 TIMING: 4895800 CPU: 14729, 0.00304169/step Wall: 14729, 0.00304169/step, 0.0880399 hours remaining, 207.277344 MB of memory in use. ENERGY: 4895800 721.8566 2087.6138 1964.2874 114.9416 -206484.7701 17882.6924 0.0000 0.0000 34390.4145 -149322.9638 300.3400 -183713.3782 -149227.3650 299.2570 -15.5257 17.6114 558800.6092 -13.7550 -13.8548 PRESSURE: 4896000 313.396 -23.2741 -95.7316 -23.2755 111.112 43.1803 -95.7329 43.1818 -234.53 GPRESSURE: 4896000 299.668 -86.5275 -9.00891 45.968 145.67 33.9934 -140.416 7.96614 -168.927 PRESSAVG: 4896000 10.9798 -11.8539 68.1462 -11.8539 3.32847 -8.352 68.1462 -8.35205 18.4327 GPRESSAVG: 4896000 11.0023 -12.87 69.0106 -10.3577 3.51853 -5.89051 69.236 -10.2224 18.1784 TIMING: 4896000 CPU: 14729.6, 0.00301434/step Wall: 14729.6, 0.00301434/step, 0.087081 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: 4896000 754.5149 2113.7302 1960.6152 112.8136 -206821.5711 18150.7132 0.0000 0.0000 34381.2673 -149347.9165 300.2602 -183729.1838 -149248.7885 298.8753 63.3260 92.1371 557157.5005 10.9136 10.8997 PRESSURE: 4896200 -247.308 -115.556 196.752 -115.556 -123.195 -90.721 196.752 -90.7202 55.1396 GPRESSURE: 4896200 -189.142 -210.456 129.871 -85.833 -144.13 -29.3469 138.227 -123.329 117.391 PRESSAVG: 4896200 5.83069 -1.99037 -37.5608 -1.99035 -26.0109 35.6897 -37.5609 35.6898 -35.0878 GPRESSAVG: 4896200 6.66494 -3.52711 -37.9476 -1.6402 -26.7712 36.0513 -38.1848 35.4321 -35.7947 TIMING: 4896200 CPU: 14730.2, 0.00304713/step Wall: 14730.2, 0.00304713/step, 0.0878589 hours remaining, 207.277344 MB of memory in use. ENERGY: 4896200 768.0801 2114.0562 1982.8622 117.6189 -206558.4157 17854.8574 0.0000 0.0000 34325.8461 -149395.0949 299.7762 -183720.9410 -149300.2440 299.2029 -105.1212 -71.9603 557000.6976 -18.4227 -18.6336 LDB: ============= START OF LOAD BALANCING ============== 14733.6 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14733.6 LDB: =============== DONE WITH MIGRATION ================ 14733.6 LDB: ============= START OF LOAD BALANCING ============== 14733.9 LDB: Largest compute 4820 load 0.028691 is 24.3% of average load 0.118209 LDB: Average compute 0.001729 is 1.5% of average load 0.118209 LDB: TIME 14733.9 LOAD: AVG 0.118209 MAX 0.221856 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.07 MB LDB: TIME 14733.9 LOAD: AVG 0.118209 MAX 0.221856 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.133 MB LDB: TIME 14733.9 LOAD: AVG 0.118209 MAX 0.221856 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.133 MB LDB: ============== END OF LOAD BALANCING =============== 14733.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14733.9 PRESSURE: 4896400 -136.732 16.9188 19.3574 16.9191 257.139 -51.8902 19.3582 -51.8895 -80.2571 GPRESSURE: 4896400 -153.659 87.9845 58.6993 22.7949 283.787 11.6181 7.90456 -27.2987 1.49924 PRESSAVG: 4896400 -48.5409 31.2936 44.4543 31.2935 26.9515 29.6711 44.4542 29.671 23.3009 GPRESSAVG: 4896400 -50.1577 33.4631 39.9498 30.1172 28.4924 29.2417 46.4823 28.2362 23.7794 TIMING: 4896400 CPU: 14730.8, 0.00312135/step Wall: 14730.8, 0.00312135/step, 0.0898255 hours remaining, 207.648438 MB of memory in use. ENERGY: 4896400 688.4494 2157.8423 1944.5068 115.7240 -206499.0494 17785.7142 0.0000 0.0000 34402.2990 -149404.5137 300.4438 -183806.8127 -149307.1492 299.4237 13.3831 43.8758 557035.4037 0.5705 0.7047 PRESSURE: 4896600 -17.4056 -98.0014 25.2943 -98.0018 140.485 -126.306 25.2954 -126.306 75.5821 GPRESSURE: 4896600 16.9174 -57.848 82.3441 -110.663 180.13 -95.0382 62.5727 -67.1753 104.008 PRESSAVG: 4896600 -7.73298 7.25826 12.1439 7.25822 1.98371 16.031 12.1441 16.0308 43.2744 GPRESSAVG: 4896600 -6.73049 7.97652 15.9851 7.80957 1.1338 16.5182 10.894 17.0595 42.679 TIMING: 4896600 CPU: 14731.4, 0.00307307/step Wall: 14731.4, 0.00307307/step, 0.0882655 hours remaining, 207.851562 MB of memory in use. ENERGY: 4896600 747.3793 2087.5881 1958.0752 121.9961 -206650.0195 17998.8144 0.0000 0.0000 34461.8176 -149274.3487 300.9636 -183736.1663 -149173.4397 298.9054 66.2206 100.3517 557222.1816 12.5084 12.3608 PRESSURE: 4896800 -232.817 15.1535 -58.243 15.1513 -15.3326 -60.9517 -58.2445 -60.9506 -232.891 GPRESSURE: 4896800 -190.981 -72.8027 -85.4523 52.4646 -34.695 16.6301 17.7224 -45.9081 -163.439 PRESSAVG: 4896800 2.54058 13.1725 4.51239 13.1725 5.43382 -9.12973 4.51244 -9.12976 -6.57204 GPRESSAVG: 4896800 3.11512 13.7681 5.39978 12.4032 5.49532 -12.4107 4.63918 -8.42206 -6.87245 TIMING: 4896800 CPU: 14732, 0.00305194/step Wall: 14732, 0.00305194/step, 0.0874891 hours remaining, 207.851562 MB of memory in use. ENERGY: 4896800 762.2516 2131.8169 1940.4311 107.1834 -205738.0194 17481.0881 0.0000 0.0000 34119.0038 -149196.2444 297.9697 -183315.2482 -149093.9975 298.8569 -160.3468 -129.7049 559057.4614 0.4675 0.5793 PRESSURE: 4897000 -165.183 -74.8982 -54.8465 -74.8989 -73.458 -35.1934 -54.8481 -35.1926 -145.072 GPRESSURE: 4897000 -131.744 -67.5874 -149.2 -56.6632 -32.5786 -29.1666 -34.3445 59.4136 -116.931 PRESSAVG: 4897000 12.8839 -0.857354 8.94287 -0.857268 4.69381 -14.5347 8.94287 -14.5346 -4.89577 GPRESSAVG: 4897000 12.3589 -1.31099 7.4062 -0.756344 5.09987 -13.5412 9.93659 -14.9706 -4.58192 TIMING: 4897000 CPU: 14732.6, 0.00302482/step Wall: 14732.6, 0.00302482/step, 0.0865433 hours remaining, 207.851562 MB of memory in use. ENERGY: 4897000 796.6694 2124.5919 1950.4654 117.6382 -206116.2004 17625.6555 0.0000 0.0000 34169.4258 -149331.7542 298.4101 -183501.1799 -149234.4425 299.5385 -127.9044 -93.7511 557907.5853 4.2273 4.2923 PRESSURE: 4897200 -195.713 -117.212 -60.1831 -117.212 0.145371 67.9959 -60.1835 67.9941 27.2145 GPRESSURE: 4897200 -127.744 -55.343 -76.2166 -26.4239 33.3208 19.5911 -65.5472 180.932 23.1351 PRESSAVG: 4897200 -18.4359 -1.20707 22.2741 -1.20714 14.0832 21.4789 22.2741 21.4789 88.7742 GPRESSAVG: 4897200 -18.0194 -1.40179 21.7799 -1.70545 14.0443 21.1852 21.5356 20.5797 88.5485 TIMING: 4897200 CPU: 14733.2, 0.00306276/step Wall: 14733.2, 0.00306276/step, 0.0874588 hours remaining, 207.851562 MB of memory in use. ENERGY: 4897200 755.5123 2118.0861 1965.5335 116.8942 -206077.2275 17786.4742 0.0000 0.0000 34148.8297 -149185.8975 298.2302 -183334.7272 -149088.4035 299.4345 -56.1177 -23.7628 558508.8230 28.1405 28.1911 PRESSURE: 4897400 217.656 -93.1699 -77.765 -93.1698 156.427 -46.02 -77.7631 -46.0208 114.273 GPRESSURE: 4897400 210.171 -97.4445 -44.1785 -86.138 156.891 -32.3211 -81.0737 57.7496 210.098 PRESSAVG: 4897400 -37.0154 -46.9999 30.4129 -47 12.569 48.9245 30.4128 48.9246 60.799 GPRESSAVG: 4897400 -37.966 -44.868 31.2556 -46.7199 12.9424 49.6066 28.3526 51.7378 61.1236 TIMING: 4897400 CPU: 14733.9, 0.00306837/step Wall: 14733.9, 0.00306837/step, 0.0874485 hours remaining, 207.851562 MB of memory in use. ENERGY: 4897400 778.5848 2118.5746 1939.2287 104.4974 -206572.9682 17985.8526 0.0000 0.0000 34472.3725 -149173.8577 301.0558 -183646.2302 -149074.3969 299.5163 162.7853 192.3866 556937.0093 12.1175 12.0333 PRESSURE: 4897600 -163.544 -28.765 322.383 -28.7657 -378.117 86.2042 322.381 86.2055 -277.27 GPRESSURE: 4897600 -129.226 -101.299 280.03 -101.946 -324.398 129.587 274.967 48.1454 -263.397 PRESSAVG: 4897600 24.0952 -62.2781 -11.0907 -62.278 -38.517 -5.47649 -11.0908 -5.47652 -5.30331 GPRESSAVG: 4897600 23.9898 -64.8459 -12.6513 -63.6883 -39.2789 -5.11158 -8.596 -8.36383 -4.72763 TIMING: 4897600 CPU: 14734.5, 0.00308787/step Wall: 14734.5, 0.00308787/step, 0.0878327 hours remaining, 207.851562 MB of memory in use. ENERGY: 4897600 779.6080 2055.7401 1978.8765 114.8319 -205642.7684 17417.8952 0.0000 0.0000 34118.2027 -149177.6141 297.9627 -183295.8168 -149085.1225 299.9624 -272.9767 -239.0070 557679.1535 -6.5750 -6.6722 PRESSURE: 4897800 -102.858 45.312 134.031 45.3111 -127.601 -9.5302 134.031 -9.53081 -225.747 GPRESSURE: 4897800 -57.6236 20.1623 85.5303 -55.676 -110.053 -42.2582 147.104 77.6953 -200.747 PRESSAVG: 4897800 3.12842 -14.7184 -0.284071 -14.7183 -7.63119 19.5553 -0.283986 19.5551 4.8251 GPRESSAVG: 4897800 4.09883 -15.6569 1.3295 -13.3584 -8.13193 19.1526 -0.00927352 21.7436 3.86297 TIMING: 4897800 CPU: 14735.1, 0.0030592/step Wall: 14735.1, 0.0030592/step, 0.0868473 hours remaining, 207.851562 MB of memory in use. ENERGY: 4897800 757.9294 2127.6491 1952.9452 115.5333 -206120.0827 17739.0763 0.0000 0.0000 34170.2627 -149256.6866 298.4174 -183426.9493 -149159.7720 299.5520 -152.0684 -122.8078 557641.4258 0.1074 -0.0567 PRESSURE: 4898000 -258.429 -46.9536 -47.7439 -46.9543 39.8619 -52.5273 -47.745 -52.5261 -235.722 GPRESSURE: 4898000 -235.859 10.6324 -19.9944 -92.2668 100.45 -65.8553 -37.6301 -35.7255 -222.588 PRESSAVG: 4898000 -7.12773 -12.3251 26.8786 -12.3251 2.98028 -54.1576 26.8787 -54.1575 -20.0952 GPRESSAVG: 4898000 -8.54564 -11.5398 27.0772 -12.6451 2.92062 -51.905 25.45 -57.477 -18.7843 TIMING: 4898000 CPU: 14735.7, 0.00307346/step Wall: 14735.7, 0.00307346/step, 0.0870815 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: 4898000 744.1961 2108.4173 1930.2751 113.4780 -206241.1886 17696.2016 0.0000 0.0000 34514.8545 -149133.7660 301.4268 -183648.6206 -149034.2110 299.2472 -151.4296 -119.3325 558470.7497 -8.0809 -8.1364 PRESSURE: 4898200 184.065 -81.0305 -38.0261 -81.0308 -30.5751 52.506 -38.0251 52.5041 -192.244 GPRESSURE: 4898200 145.328 -56.2356 -83.5229 -41.7715 -4.43556 62.9196 -15.7453 25.7592 -78.0807 PRESSAVG: 4898200 42.8813 -17.2353 44.0034 -17.2354 -16.1145 -61.9679 44.0034 -61.9678 -30.7212 GPRESSAVG: 4898200 43.3766 -18.2577 43.085 -14.9433 -16.1842 -64.9944 45.8889 -57.2217 -30.9377 TIMING: 4898200 CPU: 14736.3, 0.00307578/step Wall: 14736.3, 0.00307578/step, 0.0869762 hours remaining, 207.851562 MB of memory in use. ENERGY: 4898200 734.2659 2118.5529 1966.2684 116.0787 -206043.7238 17915.6819 0.0000 0.0000 34310.7709 -148882.1051 299.6445 -183192.8759 -148783.2439 299.8898 -12.9179 20.9372 557943.7044 -1.3181 -1.2484 PRESSURE: 4898400 -0.600995 -217.506 39.3285 -217.507 134.856 153.334 39.3295 153.333 -2.05967 GPRESSURE: 4898400 88.8777 -198.862 40.6283 -158.294 98.1587 102.862 51.8442 239.507 38.1297 PRESSAVG: 4898400 -19.6361 25.4048 35.9303 25.4048 -2.09776 39.8479 35.9304 39.8479 19.6189 GPRESSAVG: 4898400 -18.8948 27.4903 35.9534 22.1032 -2.43639 41.3404 35.6674 35.0455 19.2022 TIMING: 4898400 CPU: 14736.9, 0.00308206/step Wall: 14736.9, 0.00308206/step, 0.0869827 hours remaining, 207.851562 MB of memory in use. ENERGY: 4898400 733.9951 2123.6550 1925.2176 111.2839 -206390.8972 18175.8265 0.0000 0.0000 34474.9377 -148845.9814 301.0782 -183320.9190 -148755.0465 300.6116 44.0652 75.0553 558192.2471 -0.7050 -0.7097 PRESSURE: 4898600 -284.129 -108.379 -35.1158 -108.379 187.116 -89.148 -35.1146 -89.1487 -86.1914 GPRESSURE: 4898600 -246.692 -154.601 -3.93123 -99.2834 243.515 -88.9595 -65.7376 -164.678 -69.2239 PRESSAVG: 4898600 -25.7325 -33.9099 53.0822 -33.9099 12.3456 -29.106 53.0821 -29.106 -16.4553 GPRESSAVG: 4898600 -25.9844 -36.8572 52.392 -32.3041 12.0751 -30.3373 54.1246 -28.654 -15.389 TIMING: 4898600 CPU: 14737.5, 0.00309726/step Wall: 14737.5, 0.00309726/step, 0.0872396 hours remaining, 207.851562 MB of memory in use. ENERGY: 4898600 792.5014 2153.3536 1978.1377 123.7633 -205983.4635 17728.8979 0.0000 0.0000 34407.0579 -148799.7517 300.4854 -183206.8096 -148702.4529 300.2381 -61.0683 -24.1337 559191.6965 -9.9474 -9.7661 PRESSURE: 4898800 -24.4728 -45.5779 1.02139 -45.5768 158.14 -39.3795 1.0213 -39.3766 -49.1311 GPRESSURE: 4898800 25.1544 -54.5657 -3.25976 -7.77403 190.43 43.633 48.1498 -23.0395 -26.1122 PRESSAVG: 4898800 -15.0807 20.1684 -13.9836 20.1685 19.2028 -89.6932 -13.9836 -89.6931 13.5671 GPRESSAVG: 4898800 -14.4782 20.0231 -13.7642 19.9653 19.4282 -90.6178 -16.5347 -88.5307 12.733 TIMING: 4898800 CPU: 14738.2, 0.00306411/step Wall: 14738.2, 0.00306411/step, 0.0861356 hours remaining, 207.851562 MB of memory in use. ENERGY: 4898800 729.5956 2083.7534 1960.1012 104.0339 -205580.3516 17507.0278 0.0000 0.0000 34444.9659 -148750.8738 300.8165 -183195.8397 -148654.9657 300.2617 28.1786 63.1573 557796.8294 5.8964 5.8943 PRESSURE: 4899000 126.283 -21.3565 166.327 -21.3576 -116.153 1.34439 166.327 1.34408 52.1825 GPRESSURE: 4899000 196.541 -15.9584 120.137 -61.4826 -107.942 41.395 84.1583 23.0073 68.8133 PRESSAVG: 4899000 42.1627 -18.6147 -38.1212 -18.6146 31.6114 -8.19526 -38.1213 -8.19532 -18.9965 GPRESSAVG: 4899000 42.4794 -18.991 -37.8105 -16.9174 31.451 -6.32137 -38.1276 -8.88725 -19.507 TIMING: 4899000 CPU: 14738.8, 0.00304278/step Wall: 14738.8, 0.00304278/step, 0.0853668 hours remaining, 207.851562 MB of memory in use. ENERGY: 4899000 762.7558 2145.7833 1951.2113 117.4528 -205650.4286 17591.0005 0.0000 0.0000 34394.1012 -148688.1238 300.3722 -183082.2250 -148589.2283 300.6955 20.7709 52.4707 556601.9352 18.2592 18.1411 PRESSURE: 4899200 332.109 54.7711 67.091 54.7718 -12.6219 -119.841 67.0913 -119.842 138.782 GPRESSURE: 4899200 315.242 22.8273 27.147 151.901 -0.682936 -82.3206 108.69 -169.695 253.573 PRESSAVG: 4899200 -30.5857 65.4296 14.7593 65.4296 -53.405 21.823 14.7593 21.823 73.6352 GPRESSAVG: 4899200 -30.2405 67.5861 14.5693 66.0683 -54.2282 22.9711 15.569 21.0032 74.0897 TIMING: 4899200 CPU: 14739.4, 0.00305631/step Wall: 14739.4, 0.00305631/step, 0.0855766 hours remaining, 207.851562 MB of memory in use. ENERGY: 4899200 698.3324 2143.3153 1965.3569 117.8676 -205981.1838 17898.6870 0.0000 0.0000 34359.4849 -148798.1395 300.0699 -183157.6244 -148696.0193 300.4247 152.7565 189.3773 557885.6753 -3.4518 -3.4597 PRESSURE: 4899400 -285.711 234.211 16.8026 234.211 -43.5811 -51.5433 16.8023 -51.5448 -267.852 GPRESSURE: 4899400 -264.039 276.242 6.63263 192.641 -2.34278 -82.738 38.1559 -39.4717 -219.272 PRESSAVG: 4899400 44.0351 21.9352 3.8959 21.9353 7.78482 -28.4135 3.8959 -28.4135 -43.2696 GPRESSAVG: 4899400 43.8848 21.4813 2.40102 21.8882 8.60232 -29.0061 4.64987 -28.602 -44.0277 TIMING: 4899400 CPU: 14740, 0.00304633/step Wall: 14740, 0.00304633/step, 0.0851281 hours remaining, 207.851562 MB of memory in use. ENERGY: 4899400 753.1515 2124.1300 1950.0105 114.0029 -205460.8621 17377.4583 0.0000 0.0000 34411.9047 -148730.2042 300.5277 -183142.1088 -148625.2464 301.2480 -199.0480 -161.8847 559444.1292 2.8501 2.8198 PRESSURE: 4899600 -156.328 -162.126 218.408 -162.127 -102.831 28.6619 218.407 28.659 -12.6595 GPRESSURE: 4899600 -107.741 -71.4899 245.575 -196.863 -90.3426 52.235 222.45 -16.7172 9.82181 PRESSAVG: 4899600 -54.734 -9.4988 15.7811 -9.49878 -9.76814 -8.68836 15.7812 -8.68835 64.2422 GPRESSAVG: 4899600 -55.0608 -7.89353 16.7426 -11.199 -10.0079 -8.97775 13.9943 -8.85922 64.3456 TIMING: 4899600 CPU: 14740.6, 0.00303004/step Wall: 14740.6, 0.00303004/step, 0.0845046 hours remaining, 207.851562 MB of memory in use. ENERGY: 4899600 757.2532 2135.8260 1968.2520 112.8655 -205740.1342 17556.1200 0.0000 0.0000 34392.5680 -148817.2496 300.3589 -183209.8176 -148728.0408 300.7340 -90.6063 -62.7539 558623.9721 -0.0866 -0.2410 PRESSURE: 4899800 32.1107 -78.6484 -99.8062 -78.6488 -117.221 -11.4703 -99.806 -11.4705 61.9675 GPRESSURE: 4899800 36.4288 -106.87 -92.2153 -38.1155 -105.764 22.5804 -91.6133 -87.325 129.015 PRESSAVG: 4899800 -1.65538 6.46788 -42.4862 6.46785 57.3859 -15.9078 -42.4862 -15.9078 17.4517 GPRESSAVG: 4899800 -3.0381 5.82354 -44.6221 5.74892 58.5086 -17.7662 -40.7359 -15.3844 18.1001 TIMING: 4899800 CPU: 14741.2, 0.00303018/step Wall: 14741.2, 0.00303018/step, 0.08434 hours remaining, 207.851562 MB of memory in use. ENERGY: 4899800 761.1568 2120.5033 1937.6182 115.6015 -206081.9565 17944.2395 0.0000 0.0000 34315.1556 -148887.6815 299.6828 -183202.8372 -148787.0851 299.8182 -7.7143 19.8933 558597.7473 24.3941 24.5235 PRESSURE: 4900000 -43.5646 64.9124 -1.80847 64.9124 -136.796 44.6744 -1.80792 44.6745 60.1367 GPRESSURE: 4900000 -6.40404 127.698 -81.5171 112.597 -102.062 71.6965 -27.1777 15.6951 90.3135 PRESSAVG: 4900000 -21.3849 76.4779 -22.4972 76.4779 8.60104 8.69017 -22.4972 8.69013 9.59104 GPRESSAVG: 4900000 -20.7817 74.2483 -19.9113 79.2397 7.44739 7.0102 -22.7287 12.1235 10.1526 TIMING: 4900000 CPU: 14741.8, 0.00302965/step Wall: 14741.8, 0.00302965/step, 0.084157 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: 4900000 772.5664 2112.9756 1933.5747 107.6123 -205844.2041 17858.6115 0.0000 0.0000 34170.0714 -148888.7922 298.4157 -183058.8636 -148793.5458 299.2180 -40.0746 -6.0509 558597.4396 -1.0643 -1.0606 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 4900000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 4900000 WRITING COORDINATES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 4900000 FINISHED WRITING RESTART VELOCITIES PRESSURE: 4900200 222.235 -41.5777 13.6751 -41.5784 -48.1011 -22.0919 13.6747 -22.0908 124.743 GPRESSURE: 4900200 220.366 -53.3201 -5.2423 -101.848 0.735525 42.7134 29.7008 -120.363 172.342 PRESSAVG: 4900200 -18.9729 3.18335 -9.67104 3.18338 33.7869 13.6972 -9.67108 13.6972 40.8434 GPRESSAVG: 4900200 -18.4907 4.07276 -11.1214 2.7804 33.0634 14.2355 -10.4686 14.0722 40.7629 TIMING: 4900200 CPU: 14742.4, 0.00312262/step Wall: 14742.4, 0.00312262/step, 0.0865659 hours remaining, 207.851562 MB of memory in use. ENERGY: 4900200 758.5123 2123.8954 1981.8859 113.7340 -205946.1806 17938.7455 0.0000 0.0000 34290.0135 -148739.3939 299.4632 -183029.4074 -148640.4404 300.5043 99.6259 131.1478 557324.5472 18.5525 18.4452 LDB: ============= START OF LOAD BALANCING ============== 14745.9 LDB: ============== END OF LOAD BALANCING =============== 14745.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14745.9 LDB: ============= START OF LOAD BALANCING ============== 14746.2 LDB: Largest compute 4820 load 0.027768 is 23.5% of average load 0.118173 LDB: Average compute 0.001720 is 1.5% of average load 0.118173 LDB: TIME 14746.2 LOAD: AVG 0.118173 MAX 0.216357 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.613 MB LDB: TIME 14746.2 LOAD: AVG 0.118173 MAX 0.216357 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.613 MB LDB: TIME 14746.2 LOAD: AVG 0.118173 MAX 0.216357 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.613 MB LDB: ============== END OF LOAD BALANCING =============== 14746.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14746.2 PRESSURE: 4900400 72.4569 121.499 46.4361 121.5 -221.228 -5.04686 46.4379 -5.04594 27.3819 GPRESSURE: 4900400 170.001 127.283 12.7049 199.064 -230.8 -13.7015 28.5081 48.2409 44.6874 PRESSAVG: 4900400 -10.0994 44.112 -14.8336 44.1119 -36.5344 14.3329 -14.8336 14.3328 -5.67441 GPRESSAVG: 4900400 -10.4248 43.9741 -15.2452 42.061 -35.7145 16.0792 -12.9849 12.4375 -5.60205 TIMING: 4900400 CPU: 14743.1, 0.00310136/step Wall: 14743.1, 0.00310136/step, 0.0858042 hours remaining, 208.093750 MB of memory in use. ENERGY: 4900400 745.2024 2119.3644 1951.5914 104.8721 -205669.1551 17610.0960 0.0000 0.0000 34320.2017 -148817.8272 299.7269 -183138.0289 -148718.2056 299.9333 -40.4630 -5.3705 558226.1619 -17.4361 -17.2471 PRESSURE: 4900600 207.013 21.6971 -6.45036 21.6976 374.995 -26.6512 -6.45137 -26.6521 -23.6062 GPRESSURE: 4900600 220.341 -1.43029 -43.3805 45.7207 395.569 -58.8046 63.3782 -0.909817 34.5266 PRESSAVG: 4900600 22.6191 -38.6973 34.8794 -38.6974 3.8243 -34.7865 34.8792 -34.7865 15.9011 GPRESSAVG: 4900600 22.7316 -37.5423 36.5252 -39.4094 4.24514 -34.7173 33.8511 -36.5009 14.9497 TIMING: 4900600 CPU: 14743.7, 0.00303215/step Wall: 14743.7, 0.00303215/step, 0.0837209 hours remaining, 208.296875 MB of memory in use. ENERGY: 4900600 751.3838 2112.9076 1973.1463 120.9126 -206151.5653 18105.5861 0.0000 0.0000 34414.7740 -148672.8549 300.5528 -183087.6289 -148575.7276 300.7970 186.1341 216.8121 558238.2044 14.1149 13.9755 PRESSURE: 4900800 -278.531 50.55 36.4782 50.5502 -188.454 15.5898 36.4782 15.5919 -71.2896 GPRESSURE: 4900800 -243.869 -43.27 1.10483 76.689 -155.073 6.3453 142.514 -32.0675 -46.8397 PRESSAVG: 4900800 -28.5509 -33.2051 50.3326 -33.2052 1.48279 -5.82162 50.3325 -5.82151 27.4374 GPRESSAVG: 4900800 -29.7861 -33.3996 51.661 -33.4015 1.81965 -5.47727 48.1942 -4.64562 27.6628 TIMING: 4900800 CPU: 14744.3, 0.00305805/step Wall: 14744.3, 0.00305805/step, 0.0842664 hours remaining, 208.296875 MB of memory in use. ENERGY: 4900800 763.0913 2088.8719 2002.7184 103.6568 -205623.3403 17547.6815 0.0000 0.0000 34503.4169 -148613.9035 301.3269 -183117.3205 -148519.2731 300.9220 -179.4250 -148.5942 558980.5484 0.1231 -0.1012 PRESSURE: 4901000 237.494 -57.9368 105.332 -57.9358 21.97 49.9448 105.333 49.9445 -133.691 GPRESSURE: 4901000 271.916 -92.8154 77.0891 -130.076 53.336 19.9165 72.6274 81.3153 -99.9472 PRESSAVG: 4901000 47.306 -32.3035 -1.90927 -32.3035 13.0553 31.996 -1.90921 31.996 -66.1299 GPRESSAVG: 4901000 48.6655 -32.6413 -5.22424 -30.7108 12.113 30.5334 0.947594 33.1957 -66.4197 TIMING: 4901000 CPU: 14744.9, 0.00305105/step Wall: 14744.9, 0.00305105/step, 0.083904 hours remaining, 208.296875 MB of memory in use. ENERGY: 4901000 753.5767 2120.2522 1967.6427 120.0376 -205877.6100 17924.6773 0.0000 0.0000 34312.2347 -148679.1888 299.6573 -182991.4235 -148585.4617 301.3929 41.9244 75.1015 559179.5863 -1.9229 -1.8804 PRESSURE: 4901200 -311.577 -21.516 -111.302 -21.5155 -23.133 -47.9013 -111.302 -47.9009 26.755 GPRESSURE: 4901200 -296.693 -15.6576 -117.445 16.3605 24.7904 -111.991 -128.481 -16.6712 59.8295 PRESSAVG: 4901200 -18.8192 7.67333 14.984 7.67346 54.8936 23.2269 14.9839 23.227 -36.8444 GPRESSAVG: 4901200 -19.193 8.8141 16.7063 5.32808 55.5426 25.3683 13.9416 20.2298 -36.8235 TIMING: 4901200 CPU: 14745.5, 0.00307383/step Wall: 14745.5, 0.00307383/step, 0.0843595 hours remaining, 208.296875 MB of memory in use. ENERGY: 4901200 759.0193 2080.1065 1946.2434 125.5280 -205714.0097 17604.6416 0.0000 0.0000 34497.5834 -148700.8875 301.2760 -183198.4709 -148599.1786 301.5924 -102.6515 -70.6912 558641.2848 -0.2566 -0.1580 PRESSURE: 4901400 -36.9579 -56.7686 -51.6185 -56.7681 -158.93 258.216 -51.6188 258.216 -130.982 GPRESSURE: 4901400 19.2503 -17.3395 13.8322 -102.431 -53.8684 160.6 -92.7332 336.37 -193.993 PRESSAVG: 4901400 19.785 17.0746 14.9922 17.0746 25.6699 41.4761 14.9923 41.4761 -81.4664 GPRESSAVG: 4901400 19.3338 16.3468 12.566 16.3539 25.5593 40.3543 16.3266 45.1674 -80.5945 TIMING: 4901400 CPU: 14746.1, 0.00304051/step Wall: 14746.1, 0.00304051/step, 0.0832761 hours remaining, 208.296875 MB of memory in use. ENERGY: 4901400 766.8552 2108.2560 1935.0170 115.6928 -205814.2832 17763.7902 0.0000 0.0000 34212.8806 -148911.7914 298.7896 -183124.6720 -148807.1663 301.1294 -108.9567 -76.2036 560369.2308 -12.0038 -11.9005 PRESSURE: 4901600 -12.4635 -47.9415 172.72 -47.9409 -188.293 29.1154 172.718 29.1171 125.994 GPRESSURE: 4901600 37.0643 -4.52469 122.084 -38.4847 -140.3 21.1448 183.579 85.211 120.197 PRESSAVG: 4901600 15.3697 -49.4494 45.9355 -49.4494 -4.80577 30.1963 45.9356 30.1962 -53.6844 GPRESSAVG: 4901600 16.5888 -51.4305 47.7889 -46.633 -5.40946 31.1743 43.4784 28.2779 -54.118 TIMING: 4901600 CPU: 14746.7, 0.00302633/step Wall: 14746.7, 0.00302633/step, 0.0827196 hours remaining, 208.296875 MB of memory in use. ENERGY: 4901600 727.0161 2078.3019 1950.8890 115.4303 -205590.0191 17453.3571 0.0000 0.0000 34389.9917 -148875.0330 300.3364 -183265.0247 -148779.1273 299.8354 -24.9208 5.6538 557359.7907 -14.3735 -14.3129 PRESSURE: 4901800 -145.974 17.4106 26.8133 17.4094 -154.171 -9.00072 26.8137 -9.0003 -108.012 GPRESSURE: 4901800 -85.3269 -42.3468 36.4042 -34.3721 -132.696 -13.873 54.7612 12.4533 -91.5817 PRESSAVG: 4901800 15.8278 56.037 62.3232 56.037 1.33044 24.8172 62.3233 24.8173 -4.62674 GPRESSAVG: 4901800 15.1599 57.9103 60.6909 54.3207 1.30141 23.7052 63.4439 24.2369 -3.99257 TIMING: 4901800 CPU: 14747.3, 0.00304868/step Wall: 14747.3, 0.00304868/step, 0.0831613 hours remaining, 208.296875 MB of memory in use. ENERGY: 4901800 745.1465 2120.5127 1936.0189 106.0224 -205690.6637 17565.2293 0.0000 0.0000 34320.1762 -148897.5576 299.7266 -183217.7339 -148805.3240 299.7360 -136.0523 -103.2016 558917.4610 4.1772 4.1563 PRESSURE: 4902000 -357.24 16.0274 -34.3509 16.0271 -437.08 -65.0651 -34.3506 -65.0656 -94.686 GPRESSURE: 4902000 -276.972 76.1972 -23.0122 -30.1042 -451.724 -154.038 -45.5442 -48.8572 -58.0822 PRESSAVG: 4902000 7.78257 27.073 14.4755 27.0731 -11.158 -1.57728 14.4755 -1.57717 -34.4206 GPRESSAVG: 4902000 8.88797 25.717 17.3518 27.9742 -10.6227 -1.675 13.6364 -0.184262 -36.1686 TIMING: 4902000 CPU: 14747.9, 0.00303885/step Wall: 14747.9, 0.00303885/step, 0.0827243 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: 4902000 818.1076 2124.7966 1960.6691 110.3723 -205410.4511 17346.0562 0.0000 0.0000 34319.0920 -148731.3573 299.7172 -183050.4494 -148628.3202 300.1705 -296.3354 -262.2594 559761.1584 -12.5987 -12.6344 PRESSURE: 4902200 -58.7715 73.2417 88.906 73.2427 77.0761 95.569 88.9054 95.5704 11.702 GPRESSURE: 4902200 4.90553 101.356 167.679 82.7503 37.1867 129.211 -64.1474 47.8543 84.1811 PRESSAVG: 4902200 -26.4251 -1.06433 4.7534 -1.06428 26.7633 -5.63109 4.75346 -5.63096 -5.15992 GPRESSAVG: 4902200 -27.2834 -1.05314 3.28637 -0.0701983 25.9332 -4.09638 3.91365 -5.90234 -3.37218 TIMING: 4902200 CPU: 14748.5, 0.00303398/step Wall: 14748.5, 0.00303398/step, 0.0824231 hours remaining, 208.296875 MB of memory in use. ENERGY: 4902200 737.0729 2138.3585 1943.9829 101.1606 -206022.0069 17847.9137 0.0000 0.0000 34511.3665 -148742.1520 301.3963 -183253.5184 -148650.4297 300.6399 10.0022 42.0911 558386.5217 -1.6072 -1.5741 PRESSURE: 4902400 7.68855 -27.9592 135.108 -27.9596 93.3989 -62.1243 135.108 -62.1241 99.4769 GPRESSURE: 4902400 37.9838 -47.1091 108.277 -41.2563 100.762 -62.4144 134.538 -94.6725 145.297 PRESSAVG: 4902400 -31.6148 -14.0434 -2.81692 -14.0434 7.5595 -51.8037 -2.8169 -51.8037 25.0733 GPRESSAVG: 4902400 -32.5897 -14.663 -0.750342 -12.5796 7.84934 -52.382 -2.47316 -52.6374 25.2825 TIMING: 4902400 CPU: 14749.1, 0.00303201/step Wall: 14749.1, 0.00303201/step, 0.0822011 hours remaining, 208.296875 MB of memory in use. ENERGY: 4902400 734.2025 2117.7344 1937.8510 108.4819 -205855.8052 17763.7052 0.0000 0.0000 34431.3293 -148762.5009 300.6974 -183193.8302 -148670.1440 300.4101 66.8548 94.6808 558717.2663 0.3393 0.1807 PRESSURE: 4902600 131.055 -180.634 52.9697 -180.634 -111.976 -15.8306 52.97 -15.8323 36.0736 GPRESSURE: 4902600 131.394 -111.609 74.2737 -145.386 -88.7238 28.3175 102.659 -15.3767 99.001 PRESSAVG: 4902600 -9.00482 -39.704 49.7625 -39.7039 -20.0966 -62.1189 49.7626 -62.1191 51.4447 GPRESSAVG: 4902600 -9.52346 -38.0233 47.8718 -41.711 -18.8966 -61.8975 54.0748 -59.0594 50.5583 TIMING: 4902600 CPU: 14749.7, 0.00304689/step Wall: 14749.7, 0.00304689/step, 0.0824354 hours remaining, 208.296875 MB of memory in use. ENERGY: 4902600 751.2549 2160.2680 1961.1341 110.8808 -205812.4437 17747.9934 0.0000 0.0000 34247.5885 -148833.3240 299.0927 -183080.9125 -148737.7717 299.7520 18.3842 47.2238 557520.9846 7.4478 7.3794 PRESSURE: 4902800 -2.1364 86.4488 -56.6157 86.448 138.364 43.2198 -56.6153 43.2191 185.845 GPRESSURE: 4902800 82.8405 -46.7027 -42.3035 165.444 117.645 111.608 -10.6015 -6.79826 207.681 PRESSAVG: 4902800 -42.8584 -0.981139 25.3018 -0.981133 56.4344 14.3301 25.3018 14.3302 -17.4724 GPRESSAVG: 4902800 -40.9728 -3.15212 26.4321 0.660761 55.1654 15.2773 20.8186 11.9333 -17.5258 TIMING: 4902800 CPU: 14750.4, 0.00307094/step Wall: 14750.4, 0.00307094/step, 0.0829153 hours remaining, 208.296875 MB of memory in use. ENERGY: 4902800 754.0869 2191.7396 1955.9836 128.8334 -205977.5846 17869.7016 0.0000 0.0000 34345.7739 -148731.4655 299.9502 -183077.2395 -148641.0514 300.4639 107.3576 136.0554 557112.5400 -1.2988 -1.1111 PRESSURE: 4903000 -192.049 -62.8698 41.7007 -62.8702 -210.215 -28.8798 41.7005 -28.8799 52.0718 GPRESSURE: 4903000 -176.05 19.4001 39.8178 -156.555 -117.309 -31.9829 -15.3007 -87.501 51.4328 PRESSAVG: 4903000 1.43278 -34.4529 16.0911 -34.4529 74.5266 2.70391 16.0911 2.70393 -34.5137 GPRESSAVG: 4903000 0.355709 -31.7329 15.0896 -37.9135 76.6783 0.017918 16.6521 2.08643 -35.6975 TIMING: 4903000 CPU: 14751, 0.00305852/step Wall: 14751, 0.00305852/step, 0.0824101 hours remaining, 208.296875 MB of memory in use. ENERGY: 4903000 757.5928 2110.1946 1954.7810 118.6247 -205354.4171 17402.7371 0.0000 0.0000 34434.3939 -148576.0929 300.7241 -183010.4867 -148483.6783 300.4365 -116.7308 -80.6420 558128.9242 13.8152 13.7788 PRESSURE: 4903200 -27.5412 -70.1473 107.496 -70.1471 244.009 -35.0106 107.496 -35.0079 147.382 GPRESSURE: 4903200 56.8412 -180.931 101.549 -13.0824 219.507 -33.2088 129.759 -62.6406 191.33 PRESSAVG: 4903200 -13.6025 -68.6411 6.68206 -68.6412 -1.90412 -38.9855 6.68213 -38.9854 3.9741 GPRESSAVG: 4903200 -14.63 -69.8439 7.58486 -67.4148 -2.32685 -35.4288 6.93274 -37.5948 5.04562 TIMING: 4903200 CPU: 14751.6, 0.00303801/step Wall: 14751.6, 0.00303801/step, 0.0816888 hours remaining, 208.296875 MB of memory in use. ENERGY: 4903200 795.4484 2083.4995 1917.9680 114.2740 -205962.3857 17933.9162 0.0000 0.0000 34481.5488 -148635.7308 301.1359 -183117.2796 -148543.2895 300.8181 121.2833 155.8928 557876.4679 -3.8442 -3.9704 PRESSURE: 4903400 308.674 -9.69336 69.3134 -9.69301 7.23718 79.6134 69.3137 79.6138 150.261 GPRESSURE: 4903400 312.721 -48.3904 33.0747 106.352 82.2822 72.3122 117.399 102.674 178.207 PRESSAVG: 4903400 -30.2188 -36.5268 -11.5959 -36.5267 66.6468 -37.3305 -11.5958 -37.3305 -9.17489 GPRESSAVG: 4903400 -29.7907 -37.2808 -10.1123 -35.6288 66.6134 -37.8475 -11.5702 -37.911 -9.82439 TIMING: 4903400 CPU: 14752.2, 0.00304447/step Wall: 14752.2, 0.00304447/step, 0.0816932 hours remaining, 208.296875 MB of memory in use. ENERGY: 4903400 770.9948 2085.1138 1933.0741 119.0410 -206474.5342 18151.2506 0.0000 0.0000 34612.4328 -148802.6270 302.2790 -183415.0598 -148703.1082 300.7234 155.3910 191.0700 556923.6762 9.0844 8.9994 PRESSURE: 4903600 -55.2713 -27.856 51.1179 -27.8563 -51.1464 -66.6057 51.1177 -66.605 -104.866 GPRESSURE: 4903600 -9.51118 -30.1981 0.0237898 80.3114 -46.9664 18.8631 51.1617 -66.7757 -61.3461 PRESSAVG: 4903600 1.87024 -57.8826 64.9513 -57.8826 7.27078 20.4033 64.9514 20.4033 15.902 GPRESSAVG: 4903600 2.96188 -55.21 62.7025 -58.3895 6.01955 19.3182 66.2275 19.063 15.721 TIMING: 4903600 CPU: 14752.8, 0.00306451/step Wall: 14752.8, 0.00306451/step, 0.0820609 hours remaining, 208.296875 MB of memory in use. ENERGY: 4903600 720.9987 2073.7043 1916.8820 115.1938 -205840.4562 17678.7213 0.0000 0.0000 34339.2975 -148995.6586 299.8936 -183334.9561 -148899.6982 300.1282 -70.4278 -39.2746 558846.9900 8.3477 8.2341 PRESSURE: 4903800 -78.7406 80.867 -15.9804 80.8671 24.3862 130.41 -15.9802 130.41 185.054 GPRESSURE: 4903800 -104.437 96.6345 -35.6568 118.883 111.132 50.758 -8.53805 199.541 215.313 PRESSAVG: 4903800 29.0157 -21.8601 -25.2084 -21.86 0.829332 12.6452 -25.2084 12.6452 -44.4954 GPRESSAVG: 4903800 28.4382 -22.8495 -25.4268 -21.2886 1.70645 11.0013 -27.5814 16.0085 -44.5645 TIMING: 4903800 CPU: 14753.4, 0.00305963/step Wall: 14753.4, 0.00305963/step, 0.0817601 hours remaining, 208.296875 MB of memory in use. ENERGY: 4903800 757.5901 2167.1369 1939.7835 103.6972 -206196.9232 17932.8488 0.0000 0.0000 34340.2325 -148955.6342 299.9018 -183295.8667 -148867.9539 300.3069 43.5665 74.0029 556960.6526 -4.8834 -4.8066 PRESSURE: 4904000 -393.589 -57.3878 35.8051 -57.3868 -509.087 3.96994 35.8043 3.97057 -171.16 GPRESSURE: 4904000 -375.287 -107.235 -36.235 -99.434 -450.81 -88.0899 54.4284 -8.05939 -139.248 PRESSAVG: 4904000 41.3214 12.2008 8.73305 12.2009 -35.9927 74.3318 8.73314 74.3319 -1.08475 GPRESSAVG: 4904000 42.1473 11.2839 10.3819 12.693 -36.3518 74.5123 9.74786 73.2823 -1.9074 TIMING: 4904000 CPU: 14754, 0.00304586/step Wall: 14754, 0.00304586/step, 0.081223 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: 4904000 778.6142 2050.2810 1952.1204 109.6075 -205801.5248 17370.2526 0.0000 0.0000 34338.7490 -149201.9001 299.8888 -183540.6491 -149106.8078 300.3854 -357.9453 -321.7817 558327.6369 1.4147 1.2960 PRESSURE: 4904200 -422.394 2.69332 -72.8715 2.69472 -121.114 13.0067 -72.8718 13.0057 -106.958 GPRESSURE: 4904200 -374.119 -9.50941 -63.1604 46.2653 -57.7632 62.1899 -6.12755 20.5412 -119.204 PRESSAVG: 4904200 -6.8732 -2.03545 -19.57 -2.03554 33.1966 5.61379 -19.57 5.61377 -65.058 GPRESSAVG: 4904200 -7.61785 -1.19891 -23.3549 -3.82392 32.7602 7.34451 -18.2401 5.17 -64.4051 TIMING: 4904200 CPU: 14754.6, 0.00303982/step Wall: 14754.6, 0.00303982/step, 0.0808931 hours remaining, 208.296875 MB of memory in use. ENERGY: 4904200 763.6683 2110.2224 1939.0571 108.1665 -205883.1290 17525.1596 0.0000 0.0000 34243.3649 -149193.4901 299.0558 -183436.8550 -149099.5513 299.5082 -216.8218 -183.6955 556844.3360 -12.9115 -13.0876 LDB: ============= START OF LOAD BALANCING ============== 14758.1 LDB: ============== END OF LOAD BALANCING =============== 14758.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14758.1 LDB: ============= START OF LOAD BALANCING ============== 14758.4 LDB: Largest compute 4820 load 0.028209 is 23.9% of average load 0.118191 LDB: Average compute 0.001723 is 1.5% of average load 0.118191 LDB: TIME 14758.4 LOAD: AVG 0.118191 MAX 0.221187 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.559 MB LDB: TIME 14758.4 LOAD: AVG 0.118191 MAX 0.221187 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.562 MB LDB: TIME 14758.4 LOAD: AVG 0.118191 MAX 0.221187 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.562 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14758.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14758.4 PRESSURE: 4904400 -129.659 -54.1616 58.7536 -54.1605 -55.4852 -0.553257 58.7531 -0.552317 178.461 GPRESSURE: 4904400 -97.7238 -97.0441 96.0973 7.14722 -12.908 12.8665 34.9253 -20.3799 194.434 PRESSAVG: 4904400 -24.5721 -19.3363 -49.1275 -19.3363 33.6664 -59.3474 -49.1275 -59.3474 9.63639 GPRESSAVG: 4904400 -23.6875 -20.6371 -46.6707 -18.1329 33.5301 -58.599 -50.1228 -58.1686 8.95053 TIMING: 4904400 CPU: 14755.3, 0.003104/step Wall: 14755.3, 0.003104/step, 0.0824283 hours remaining, 208.093750 MB of memory in use. ENERGY: 4904400 762.1149 2142.6262 1942.7358 126.0989 -205790.6839 17656.8410 0.0000 0.0000 34132.8485 -149027.4185 298.0907 -183160.2670 -148926.8419 299.6573 -2.2276 27.9341 555966.2081 6.2436 6.2644 PRESSURE: 4904600 222.371 46.9032 -102.669 46.9028 3.06825 1.53126 -102.669 1.52928 303.565 GPRESSURE: 4904600 228.144 79.6737 -33.158 -8.76844 83.9327 66.7668 -99.357 -69.7446 320.308 PRESSAVG: 4904600 -20.8208 13.0471 0.520126 13.0471 -7.39357 73.6726 0.520087 73.6725 0.0411386 GPRESSAVG: 4904600 -21.1833 13.5386 -0.567587 13.4746 -6.30834 72.1496 2.31424 73.195 -0.870825 TIMING: 4904600 CPU: 14755.9, 0.00306081/step Wall: 14755.9, 0.00306081/step, 0.0811116 hours remaining, 208.296875 MB of memory in use. ENERGY: 4904600 725.5683 2091.2735 1943.8281 109.3252 -206502.4438 18099.1152 0.0000 0.0000 34422.4822 -149110.8513 300.6201 -183533.3336 -149018.9666 299.6676 176.3350 210.7949 556579.9824 -9.3911 -9.4542 PRESSURE: 4904800 -4.15706 10.6471 -90.9855 10.6488 -76.7433 103.633 -90.9863 103.633 -6.93123 GPRESSURE: 4904800 -3.42801 36.5416 -56.0628 -84.3538 -5.72971 135.83 -92.347 15.1931 6.87354 PRESSAVG: 4904800 -36.2185 11.7336 5.87692 11.7337 12.3205 -1.53318 5.87691 -1.53304 34.0794 GPRESSAVG: 4904800 -36.2312 12.7868 6.85839 10.5212 11.5811 -1.53502 3.65817 -0.431993 34.7415 TIMING: 4904800 CPU: 14756.5, 0.00303997/step Wall: 14756.5, 0.00303997/step, 0.0803904 hours remaining, 208.296875 MB of memory in use. ENERGY: 4904800 743.8028 2111.8190 1938.2714 113.5486 -206013.9593 17776.3574 0.0000 0.0000 34297.8482 -149032.3119 299.5316 -183330.1602 -148930.1102 299.9606 -29.2772 -0.7614 556796.2569 3.3938 3.3638 PRESSURE: 4905000 51.6243 -29.1007 -6.86076 -29.1006 301.056 -26.561 -6.86046 -26.5615 -19.2142 GPRESSURE: 4905000 88.9071 -9.10366 -20.1051 -43.8502 321.806 31.0823 -82.993 -64.4871 -1.76721 PRESSAVG: 4905000 -20.9257 -12.7025 -31.1486 -12.7026 -13.5553 -10.9851 -31.1486 -10.9851 37.253 GPRESSAVG: 4905000 -20.7646 -14.6329 -29.8955 -9.60776 -12.9961 -10.6786 -31.0136 -12.1107 36.4842 TIMING: 4905000 CPU: 14757.1, 0.00303282/step Wall: 14757.1, 0.00303282/step, 0.0800327 hours remaining, 208.296875 MB of memory in use. ENERGY: 4905000 737.4101 2129.2835 1924.9966 118.1751 -206076.9514 17786.9184 0.0000 0.0000 34406.2854 -148973.8823 300.4786 -183380.1676 -148878.1090 300.4346 111.1554 136.3152 556767.1919 0.9240 0.9078 PRESSURE: 4905200 90.5114 29.1457 -98.5768 29.1451 -66.8331 -203.977 -98.5763 -203.977 62.7068 GPRESSURE: 4905200 173.225 65.9053 -29.4265 97.892 -85.4997 -193.528 -37.8646 -277.608 86.8389 PRESSAVG: 4905200 -63.222 17.4313 44.3005 17.4313 27.2978 -46.7827 44.3004 -46.7828 32.938 GPRESSAVG: 4905200 -62.3002 19.2762 43.6708 15.7724 26.155 -47.7187 43.3413 -45.5879 33.1105 TIMING: 4905200 CPU: 14757.7, 0.00303937/step Wall: 14757.7, 0.00303937/step, 0.0800367 hours remaining, 208.296875 MB of memory in use. ENERGY: 4905200 745.2373 2106.0452 1923.5512 110.1358 -205921.6573 17638.9660 0.0000 0.0000 34335.6472 -149062.0745 299.8617 -183397.7218 -148969.2330 300.5967 28.7950 58.1881 555886.0452 -0.9954 -1.0116 PRESSURE: 4905400 72.0598 43.6658 55.3235 43.6662 118.1 15.8906 55.3235 15.8906 10.5202 GPRESSURE: 4905400 107.654 6.97972 77.2145 106.989 160.991 -30.0507 72.3002 61.0043 33.1642 PRESSAVG: 4905400 27.5933 46.1175 -2.31516 46.1176 -5.40628 -18.1159 -2.31507 -18.1159 -12.1328 GPRESSAVG: 4905400 25.8901 45.6057 -3.93436 46.2056 -3.93532 -19.348 -0.576491 -15.4533 -11.5025 TIMING: 4905400 CPU: 14758.3, 0.00303548/step Wall: 14758.3, 0.00303548/step, 0.0797657 hours remaining, 208.296875 MB of memory in use. ENERGY: 4905400 772.2079 2073.5146 1906.8529 108.1136 -206155.5138 17811.2246 0.0000 0.0000 34287.5875 -149196.0127 299.4420 -183483.6002 -149092.6712 300.0706 66.8933 100.6031 557213.7758 3.3514 3.4841 PRESSURE: 4905600 11.79 22.1523 -56.7768 22.1535 25.2671 -17.6124 -56.7758 -17.611 -84.2849 GPRESSURE: 4905600 76.6803 14.3578 -6.43421 27.4841 32.3513 -32.7906 -73.8808 -15.291 -49.9087 PRESSAVG: 4905600 -8.18035 41.7551 26.9252 41.7551 -0.112243 36.4218 26.9253 36.4219 -16.56 GPRESSAVG: 4905600 -7.74347 41.9221 27.4991 39.74 -1.58832 37.6413 27.6457 32.5364 -15.2076 TIMING: 4905600 CPU: 14758.9, 0.00304223/step Wall: 14758.9, 0.00304223/step, 0.079774 hours remaining, 208.296875 MB of memory in use. ENERGY: 4905600 754.6559 2072.5688 1925.3821 117.8594 -206317.6303 17816.4332 0.0000 0.0000 34469.9623 -149160.7687 301.0348 -183630.7309 -149058.7819 298.9064 -15.7426 19.7076 557639.0771 -8.2842 -8.1798 PRESSURE: 4905800 94.6213 41.8667 -77.4548 41.8665 -191.232 26.0585 -77.455 26.0599 107.426 GPRESSURE: 4905800 151.093 -19.4357 -40.8671 20.9714 -188.338 -130.302 -141.017 155.637 137.856 PRESSAVG: 4905800 -42.7071 -13.5905 8.32552 -13.5905 61.0583 17.354 8.32559 17.354 -13.0517 GPRESSAVG: 4905800 -41.9376 -14.6176 9.62764 -10.8756 60.803 17.9038 4.87175 18.5981 -13.9603 TIMING: 4905800 CPU: 14759.5, 0.0030708/step Wall: 14759.5, 0.0030708/step, 0.0803527 hours remaining, 208.296875 MB of memory in use. ENERGY: 4905800 758.8544 2139.4991 1938.6986 113.0091 -206454.1170 18026.4936 0.0000 0.0000 34361.9530 -149115.6094 300.0915 -183477.5623 -149010.7189 299.9189 3.6052 33.5369 559305.3628 1.7665 1.6350 PRESSURE: 4906000 60.0139 91.4038 38.6329 91.4036 8.39118 14.4046 38.6327 14.4043 45.6918 GPRESSURE: 4906000 76.476 47.0611 15.7224 58.7403 80.7543 6.6009 131.02 58.1544 37.9078 PRESSAVG: 4906000 -74.5024 -31.189 14.556 -31.189 -9.77268 3.2126 14.556 3.21254 52.2477 GPRESSAVG: 4906000 -75.9209 -31.615 13.4651 -32.0495 -9.24545 2.09681 16.2627 2.54004 53.1148 TIMING: 4906000 CPU: 14760.1, 0.00303229/step Wall: 14760.1, 0.00303229/step, 0.0791764 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: 4906000 737.0850 2033.4122 1937.8507 123.3268 -206224.4746 17844.4662 0.0000 0.0000 34473.5768 -149074.7568 301.0663 -183548.3337 -148980.1734 300.0219 38.0323 65.0460 559237.3633 -10.6758 -10.6838 PRESSURE: 4906200 87.6928 -45.7709 -76.9271 -45.7716 113.064 45.042 -76.9271 45.0426 365.495 GPRESSURE: 4906200 126.034 -112.509 -89.5571 -15.2831 108.347 -6.62602 -71.3142 111.092 432.091 PRESSAVG: 4906200 -65.2827 -44.1834 -28.0833 -44.1834 -5.25005 -43.7124 -28.0833 -43.7123 104.199 GPRESSAVG: 4906200 -63.6156 -44.1818 -30.4437 -44.2283 -5.33761 -43.6405 -27.0794 -43.2198 102.514 TIMING: 4906200 CPU: 14760.7, 0.00301519/step Wall: 14760.7, 0.00301519/step, 0.0785625 hours remaining, 208.296875 MB of memory in use. ENERGY: 4906200 741.7180 2111.7129 1954.1071 117.7293 -206341.1073 18111.9499 0.0000 0.0000 34241.7831 -149062.1070 299.0420 -183303.8901 -148971.9330 299.8220 188.7507 222.1573 555607.4701 11.2220 11.1869 PRESSURE: 4906400 4.51874 70.8525 -45.3476 70.8514 -25.3261 -89.4096 -45.348 -89.4085 219.344 GPRESSURE: 4906400 91.2599 26.5188 -94.117 108.289 31.7057 -61.8915 -5.0701 -50.9 176.859 PRESSAVG: 4906400 -65.0992 -17.0416 41.5011 -17.0415 10.1544 -40.1852 41.5012 -40.1852 70.1289 GPRESSAVG: 4906400 -64.7479 -17.3695 44.2802 -16.8716 9.72697 -38.017 40.9672 -39.9893 69.9489 TIMING: 4906400 CPU: 14761.3, 0.00301833/step Wall: 14761.3, 0.00301833/step, 0.0784765 hours remaining, 208.296875 MB of memory in use. ENERGY: 4906400 739.8255 2158.6402 1907.8730 105.0445 -205832.4847 17702.7906 0.0000 0.0000 34172.3463 -149045.9647 298.4356 -183218.3110 -148948.6969 299.4203 66.1790 99.9417 555555.5951 5.0614 4.9760 PRESSURE: 4906600 23.5218 -21.5563 132.008 -21.5579 23.1712 -5.3401 132.009 -5.33954 -390.307 GPRESSURE: 4906600 37.8087 -45.1797 138.73 -78.5486 46.5163 -21.756 49.3399 72.3272 -333.74 PRESSAVG: 4906600 -59.1775 34.5294 3.73611 34.5293 2.32203 -22.9296 3.73603 -22.9296 58.5132 GPRESSAVG: 4906600 -60.0477 34.2739 4.23974 34.2194 1.48215 -23.4782 2.09708 -23.6475 60.2704 TIMING: 4906600 CPU: 14761.9, 0.00301195/step Wall: 14761.9, 0.00301195/step, 0.0781434 hours remaining, 208.296875 MB of memory in use. ENERGY: 4906600 783.4731 2088.0005 1935.0938 116.5287 -205924.8154 17653.4954 0.0000 0.0000 34287.2487 -149060.9752 299.4391 -183348.2239 -148962.0813 300.0312 -114.5379 -83.1383 556980.2449 0.5525 0.5683 PRESSURE: 4906800 226.201 29.8057 -92.7664 29.8057 -29.2057 -46.9579 -92.7671 -46.9573 88.7997 GPRESSURE: 4906800 199.167 -39.5424 -134.248 25.7207 67.7542 -78.9818 -96.1713 -83.7401 122.842 PRESSAVG: 4906800 -26.9534 52.8503 -20.6123 52.8503 4.7788 8.70524 -20.6122 8.70511 18.5018 GPRESSAVG: 4906800 -27.8877 55.6612 -21.0274 52.4324 6.35197 7.64623 -19.9666 9.93871 17.74 TIMING: 4906800 CPU: 14762.5, 0.00302635/step Wall: 14762.5, 0.00302635/step, 0.078349 hours remaining, 208.296875 MB of memory in use. ENERGY: 4906800 778.3377 2143.9928 1932.2751 113.6189 -206311.1892 17921.5917 0.0000 0.0000 34416.2342 -149005.1389 300.5655 -183421.3730 -148915.4793 300.1607 95.2651 129.9211 555170.6291 -1.2243 -1.2653 PRESSURE: 4907000 -271.89 -102.645 144.051 -102.645 -246.253 143.056 144.051 143.056 -162.28 GPRESSURE: 4907000 -238.999 -172.774 146.509 -83.913 -159.283 123.324 48.5184 157.589 -194.572 PRESSAVG: 4907000 6.33457 -35.2664 6.17533 -35.2665 13.97 6.35625 6.1753 6.35612 28.1561 GPRESSAVG: 4907000 8.27172 -35.5857 7.49731 -35.9641 13.5746 8.11309 5.85071 5.43943 26.8594 TIMING: 4907000 CPU: 14763.2, 0.00306202/step Wall: 14763.2, 0.00306202/step, 0.0791021 hours remaining, 208.296875 MB of memory in use. ENERGY: 4907000 777.5745 2053.6837 1933.2274 112.9578 -205422.4017 17217.2945 0.0000 0.0000 34327.4929 -149000.1708 299.7905 -183327.6638 -148901.3548 300.7317 -226.8077 -197.6179 556618.9565 16.1536 16.2352 PRESSURE: 4907200 -49.3372 -43.9419 138.259 -43.9429 86.9337 62.7334 138.259 62.7334 25.7307 GPRESSURE: 4907200 -5.17396 23.2756 153.295 -27.1622 95.8894 102.716 110.565 72.5852 74.3921 PRESSAVG: 4907200 4.0978 8.82541 16.8304 8.82546 -46.06 -29.4004 16.8305 -29.4004 14.8685 GPRESSAVG: 4907200 3.26104 6.39456 17.1173 10.9431 -46.3411 -27.3372 17.9632 -30.3202 15.615 TIMING: 4907200 CPU: 14763.8, 0.00305993/step Wall: 14763.8, 0.00305993/step, 0.0788782 hours remaining, 208.296875 MB of memory in use. ENERGY: 4907200 727.7673 2093.6028 1945.1548 107.2324 -206190.8586 17925.2005 0.0000 0.0000 34229.6138 -149162.2872 298.9357 -183391.9009 -149066.8101 299.2889 21.1091 55.0358 556675.4435 -9.0312 -9.1550 PRESSURE: 4907400 78.569 33.4738 128.286 33.4733 233.714 -123.685 128.286 -123.685 153.782 GPRESSURE: 4907400 128.273 -53.6 65.4982 45.8594 300.851 -136.57 159.963 -109.009 148.834 PRESSAVG: 4907400 40.3805 -28.2397 30.0801 -28.2397 12.6512 -13.1376 30.08 -13.1377 -27.1325 GPRESSAVG: 4907400 40.6065 -27.0579 29.116 -30.1013 12.1515 -16.3775 27.724 -12.4115 -27.0235 TIMING: 4907400 CPU: 14764.4, 0.00307489/step Wall: 14764.4, 0.00307489/step, 0.0790931 hours remaining, 208.296875 MB of memory in use. ENERGY: 4907400 739.7372 2027.7347 1952.9332 120.9239 -206275.4133 18061.4635 0.0000 0.0000 34386.2171 -148986.4037 300.3034 -183372.6208 -148887.9207 299.1410 155.3549 192.6529 556792.4210 8.6331 8.5782 PRESSURE: 4907600 -73.785 97.5219 159.635 97.5223 130.69 -44.3538 159.636 -44.3535 71.6022 GPRESSURE: 4907600 -102.368 92.6068 132.282 114.639 186.59 -80.4634 200.76 14.8856 135.834 PRESSAVG: 4907600 -49.4404 -37.5719 44.5443 -37.5719 -37.6534 43.2864 44.5443 43.2863 78.8417 GPRESSAVG: 4907600 -49.3354 -35.9856 44.4304 -37.4036 -37.0934 42.8947 44.116 42.425 77.8038 TIMING: 4907600 CPU: 14765, 0.00304462/step Wall: 14765, 0.00304462/step, 0.0781453 hours remaining, 208.429688 MB of memory in use. ENERGY: 4907600 756.1724 2040.5860 1953.1547 114.9728 -206122.2323 17883.7952 0.0000 0.0000 34468.6970 -148904.8543 301.0237 -183373.5512 -148807.8102 300.5280 42.8356 73.3523 556961.6751 -2.7507 -2.8750 PRESSURE: 4907800 -193.096 173.976 24.6548 173.977 -220.926 148.85 24.654 148.85 -296.301 GPRESSURE: 4907800 -162.515 123.266 -79.9487 194.466 -147.858 207.559 83.7278 169.418 -299.86 PRESSAVG: 4907800 -33.7716 40.4894 -6.08038 40.4895 11.653 38.7767 -6.08043 38.7765 25.4652 GPRESSAVG: 4907800 -33.4661 38.6874 -5.50816 40.0693 10.9992 38.0151 -4.21122 38.8912 26.1916 TIMING: 4907800 CPU: 14765.6, 0.00303202/step Wall: 14765.6, 0.00303202/step, 0.0776534 hours remaining, 208.429688 MB of memory in use. ENERGY: 4907800 742.3496 2090.4062 1929.2008 106.9882 -205179.2101 17351.9174 0.0000 0.0000 34179.3570 -148778.9908 298.4968 -182958.3478 -148673.3943 300.3613 -236.7744 -203.4109 559364.4037 1.1155 1.2416 PRESSURE: 4908000 -121.127 -8.94332 53.9642 -8.94413 2.54677 -56.2329 53.9655 -56.2341 83.0332 GPRESSURE: 4908000 -62.5871 -65.1139 -22.0822 -77.0203 -4.62891 -13.2994 168.97 -94.0517 132.089 PRESSAVG: 4908000 -2.7455 5.04591 -32.7054 5.04585 -56.283 33.4449 -32.7054 33.445 36.3531 GPRESSAVG: 4908000 -3.27128 3.45996 -33.1729 7.3994 -55.5931 33.7866 -31.7879 33.7624 36.616 TIMING: 4908000 CPU: 14766.2, 0.00303226/step Wall: 14766.2, 0.00303226/step, 0.077491 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: 4908000 764.3047 2111.3537 1932.4937 123.8874 -205904.1483 17731.6514 0.0000 0.0000 34427.3169 -148813.1405 300.6623 -183240.4575 -148717.4974 300.8126 -11.8490 21.6244 558141.2773 -7.5585 -7.4161 PRESSURE: 4908200 -216.145 -156.131 27.7248 -156.131 -128.275 -10.278 27.724 -10.2776 -352.948 GPRESSURE: 4908200 -206.589 -160.012 41.5589 -78.7516 -128.628 -2.47829 21.3686 -13.1771 -278.389 PRESSAVG: 4908200 -9.16042 -9.77683 40.1261 -9.77685 10.9908 -1.18129 40.1261 -1.18135 -8.53877 GPRESSAVG: 4908200 -9.75721 -9.76414 40.7806 -11.2604 11.0379 -0.316462 40.578 -1.20588 -8.2673 TIMING: 4908200 CPU: 14766.8, 0.00301878/step Wall: 14766.8, 0.00301878/step, 0.0769789 hours remaining, 208.429688 MB of memory in use. ENERGY: 4908200 756.0000 2099.0844 1920.6369 113.6892 -205512.4792 17422.0364 0.0000 0.0000 34239.8701 -148961.1621 299.0253 -183201.0322 -148869.8264 300.1613 -232.4561 -204.5352 559570.9323 -2.2361 -2.3289 LDB: ============= START OF LOAD BALANCING ============== 14770.2 LDB: ============== END OF LOAD BALANCING =============== 14770.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14770.2 LDB: ============= START OF LOAD BALANCING ============== 14770.5 LDB: Largest compute 4820 load 0.028355 is 24.0% of average load 0.118206 LDB: Average compute 0.001715 is 1.5% of average load 0.118206 LDB: TIME 14770.5 LOAD: AVG 0.118206 MAX 0.217038 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.934 MB LDB: TIME 14770.5 LOAD: AVG 0.118206 MAX 0.217038 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.996 MB LDB: TIME 14770.5 LOAD: AVG 0.118206 MAX 0.217038 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.996 MB LDB: ============== END OF LOAD BALANCING =============== 14770.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14770.5 PRESSURE: 4908400 21.9628 -67.9318 83.8089 -67.9309 -179.602 -22.2922 83.8094 -22.2939 -210.465 GPRESSURE: 4908400 60.6806 -114.406 165.434 -148.415 -174.961 25.2102 66.3777 -50.0611 -155.745 PRESSAVG: 4908400 -19.205 -33.991 42.2002 -33.991 15.7998 27.9271 42.2001 27.927 -6.62955 GPRESSAVG: 4908400 -19.2004 -31.9103 43.5582 -34.5632 16.5183 26.521 39.5454 27.8016 -7.35794 TIMING: 4908400 CPU: 14767.4, 0.00308392/step Wall: 14767.4, 0.00308392/step, 0.0784686 hours remaining, 208.074219 MB of memory in use. ENERGY: 4908400 759.4922 2132.8467 1935.3999 118.2562 -205965.2877 17650.0740 0.0000 0.0000 34491.5302 -148877.6885 301.2231 -183369.2187 -148782.9474 299.8188 -122.7011 -90.0084 558830.2638 -3.3449 -3.3467 PRESSURE: 4908600 -27.2562 104.384 -140.132 104.383 16.4984 -172.668 -140.131 -172.67 -48.726 GPRESSURE: 4908600 4.28637 154.236 -142.377 37.5542 64.6852 -68.6326 -128.562 -141.896 -23.6239 PRESSAVG: 4908600 30.1977 -29.0299 37.0234 -29.0299 -34.8844 18.7406 37.0234 18.7405 -30.0131 GPRESSAVG: 4908600 28.589 -27.8438 35.016 -29.6138 -33.8927 18.7604 36.6419 19.1564 -29.6191 TIMING: 4908600 CPU: 14768, 0.00303136/step Wall: 14768, 0.00303136/step, 0.076963 hours remaining, 208.074219 MB of memory in use. ENERGY: 4908600 719.9403 2095.4708 1936.6159 125.0266 -205664.3700 17566.1833 0.0000 0.0000 34387.0598 -148834.0734 300.3107 -183221.1331 -148735.9734 300.4545 -19.8279 15.1159 559856.8788 -11.5666 -11.6409 PRESSURE: 4908800 -71.4028 -33.7802 -90.7061 -33.7813 57.6012 65.6166 -90.7061 65.6152 108.639 GPRESSURE: 4908800 9.78186 -30.3979 -94.5305 -108.132 60.8651 35.4163 -110.775 -30.3668 135.054 PRESSAVG: 4908800 -27.7082 -7.51155 -3.8787 -7.51151 -20.3104 98.246 -3.87879 98.2461 21.928 GPRESSAVG: 4908800 -26.1047 -9.31469 -2.7361 -5.25027 -22.865 98.3871 -4.87682 97.8678 22.5847 TIMING: 4908800 CPU: 14768.6, 0.00303577/step Wall: 14768.6, 0.00303577/step, 0.0769061 hours remaining, 208.074219 MB of memory in use. ENERGY: 4908800 750.6411 2134.2609 1927.3415 108.9544 -205528.1676 17645.1204 0.0000 0.0000 34273.6811 -148688.1682 299.3206 -182961.8493 -148587.2050 300.7736 31.6124 68.5670 558360.1945 -8.6969 -8.7950 PRESSURE: 4909000 -186.154 13.8998 114.628 13.9002 -151.303 -118.21 114.629 -118.209 -9.38924 GPRESSURE: 4909000 -122.418 17.6225 89.0958 -11.9768 -142.083 -210.15 83.9482 58.3132 8.324 PRESSAVG: 4909000 26.1871 -8.99478 37.9269 -8.99471 -6.95712 26.8056 37.9268 26.8056 -28.7586 GPRESSAVG: 4909000 25.379 -7.76746 37.5353 -8.91287 -4.59487 27.925 40.2508 25.7335 -30.2919 TIMING: 4909000 CPU: 14769.2, 0.00304721/step Wall: 14769.2, 0.00304721/step, 0.0770266 hours remaining, 208.074219 MB of memory in use. ENERGY: 4909000 760.7517 2100.8668 1930.7665 114.3331 -205838.3649 17596.6753 0.0000 0.0000 34562.2735 -148772.6980 301.8409 -183334.9715 -148670.2049 300.6171 -115.6155 -85.3922 557688.5735 -3.1762 -3.1693 PRESSURE: 4909200 182.047 -165.409 173.873 -165.41 -187.063 -61.0084 173.873 -61.0071 -324.769 GPRESSURE: 4909200 178.339 -134.25 110.217 -143.18 -138.028 -51.8776 140.36 -57.1959 -278.108 PRESSAVG: 4909200 -52.1831 32.1653 -7.51791 32.1653 44.9196 16.7588 -7.51795 16.7587 26.7083 GPRESSAVG: 4909200 -51.8089 33.1776 -6.53833 29.4639 43.9164 17.1138 -8.30273 16.7215 27.2806 TIMING: 4909200 CPU: 14769.9, 0.003063/step Wall: 14769.9, 0.003063/step, 0.0772556 hours remaining, 208.074219 MB of memory in use. ENERGY: 4909200 759.4095 2070.3711 1922.5415 107.7070 -205593.5145 17569.1011 0.0000 0.0000 34396.1456 -148768.2388 300.3901 -183164.3844 -148662.1180 301.2205 -109.9283 -79.2656 558390.9045 6.4816 6.4627 PRESSURE: 4909400 -330.774 75.1509 106.539 75.1496 -266.184 -11.9105 106.539 -11.9095 -442.629 GPRESSURE: 4909400 -275.879 47.9164 48.6871 128.206 -283.045 -45.1821 123.072 56.6304 -378.609 PRESSAVG: 4909400 12.2057 -10.2643 16.2105 -10.2644 -20.9723 -14.803 16.2106 -14.803 -2.69237 GPRESSAVG: 4909400 12.6226 -11.9468 16.3338 -7.69964 -21.0498 -16.1491 15.221 -14.902 -2.81459 TIMING: 4909400 CPU: 14770.5, 0.00304407/step Wall: 14770.5, 0.00304407/step, 0.076609 hours remaining, 208.074219 MB of memory in use. ENERGY: 4909400 768.7607 2055.0906 1946.9765 131.4702 -205148.8227 17183.5465 0.0000 0.0000 34340.5045 -148722.4737 299.9042 -183062.9782 -148629.1384 300.6716 -346.5292 -312.5109 559547.9108 -3.8197 -3.7473 PRESSURE: 4909600 -76.4071 -257.301 -101.528 -257.3 0.677632 -119.037 -101.528 -119.037 115.098 GPRESSURE: 4909600 -68.4267 -288.949 -149.865 -270.658 75.3938 -9.61793 -126.102 -175.702 135.699 PRESSAVG: 4909600 58.952 11.4472 -29.6893 11.4471 -73.0658 18.1969 -29.6892 18.197 -5.97891 GPRESSAVG: 4909600 58.8296 13.1839 -30.2272 11.1889 -72.9872 18.5357 -29.4413 18.9559 -5.50219 TIMING: 4909600 CPU: 14771.1, 0.00304084/step Wall: 14771.1, 0.00304084/step, 0.076359 hours remaining, 208.074219 MB of memory in use. ENERGY: 4909600 737.6495 2094.8243 1915.6429 117.5786 -205641.1433 17747.3465 0.0000 0.0000 34322.6286 -148705.4730 299.7481 -183028.1016 -148602.0448 301.3222 13.1229 47.5555 558094.5641 -6.6976 -6.5533 PRESSURE: 4909800 0.470069 -6.29411 -23.2417 -6.294 -123.113 109.675 -23.2411 109.674 28.7436 GPRESSURE: 4909800 59.6045 27.312 19.7738 -46.1935 -118.092 70.0756 -36.7701 52.7194 57.5995 PRESSAVG: 4909800 -18.7544 -34.1614 -4.17955 -34.1615 10.1805 -3.2621 -4.17962 -3.26213 22.5425 GPRESSAVG: 4909800 -19.0151 -35.0075 -3.23378 -34.7347 9.46715 -3.29633 -1.9685 -4.66149 23.5766 TIMING: 4909800 CPU: 14771.7, 0.00305627/step Wall: 14771.7, 0.00305627/step, 0.0765766 hours remaining, 208.074219 MB of memory in use. ENERGY: 4909800 769.1100 2052.2574 1960.0571 119.5338 -205636.0536 17774.0234 0.0000 0.0000 34479.5938 -148481.4781 301.1189 -182961.0719 -148381.7792 301.4576 -31.2999 -0.2962 557479.5344 4.6562 4.6762 PRESSURE: 4910000 -76.9989 -76.1237 17.1675 -76.1234 -57.8396 23.1533 17.167 23.1552 23.1105 GPRESSURE: 4910000 -48.0113 -11.5423 -9.83767 -67.0323 -18.6374 -81.2101 35.4951 34.4631 66.7785 PRESSAVG: 4910000 42.0682 37.1539 -19.6105 37.154 -43.832 23.5289 -19.6105 23.5289 35.6525 GPRESSAVG: 4910000 41.7646 38.2912 -19.9927 37.432 -42.8713 22.6279 -21.5064 25.4621 34.7951 TIMING: 4910000 CPU: 14772.3, 0.00305668/step Wall: 14772.3, 0.00305668/step, 0.076417 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: 4910000 752.6359 2074.4445 1954.2610 110.5829 -205604.8918 17843.5843 0.0000 0.0000 34335.3048 -148534.0785 299.8588 -182869.3832 -148442.1994 300.8918 -37.2427 0.0433 558698.0243 11.2962 11.2294 PRESSURE: 4910200 131.918 -91.32 -38.6549 -91.3208 -67.5891 -7.52933 -38.6548 -7.52906 -183.908 GPRESSURE: 4910200 173.497 -95.2692 -131.406 -116.943 3.22299 -83.5708 -8.8376 33.1452 -193.619 PRESSAVG: 4910200 53.6364 19.275 -2.80881 19.275 -6.57329 -3.57641 -2.80877 -3.57663 -23.1643 GPRESSAVG: 4910200 54.5499 19.7452 -3.35988 17.6102 -6.32238 -3.96395 -2.33566 -3.6592 -24.1645 TIMING: 4910200 CPU: 14772.9, 0.00302705/step Wall: 14772.9, 0.00302705/step, 0.075508 hours remaining, 208.074219 MB of memory in use. ENERGY: 4910200 717.8960 2090.1886 1936.2624 112.0640 -205427.3409 17411.3506 0.0000 0.0000 34396.9884 -148762.5909 300.3975 -183159.5793 -148662.8071 301.0467 -39.8595 -5.6329 558853.5249 7.9663 8.0210 PRESSURE: 4910400 144.887 76.8145 -105.936 76.8149 73.8426 33.0005 -105.936 33.0019 92.3221 GPRESSURE: 4910400 96.6637 147.061 -130.966 -29.7113 159.373 55.7361 -99.4843 1.40519 154.207 PRESSAVG: 4910400 23.4221 53.6561 22.7037 53.6561 -61.751 -23.5622 22.7036 -23.5622 78.1002 GPRESSAVG: 4910400 23.0097 52.386 21.0348 54.323 -61.2459 -23.1026 23.0612 -22.6061 78.1466 TIMING: 4910400 CPU: 14773.5, 0.00306292/step Wall: 14773.5, 0.00306292/step, 0.0762327 hours remaining, 208.074219 MB of memory in use. ENERGY: 4910400 749.6482 2100.8384 1932.2321 113.3518 -206059.2816 17854.6419 0.0000 0.0000 34497.7507 -148810.8185 301.2774 -183308.5693 -148711.1237 300.5647 103.6837 136.7479 556162.8292 13.2571 13.3035 PRESSURE: 4910600 -89.8685 24.5804 9.91885 24.5806 -167.208 -58.2219 9.9181 -58.2215 -186.335 GPRESSURE: 4910600 -66.6625 -3.23857 20.772 15.9639 -129.567 -35.9113 153.628 -18.6127 -149.318 PRESSAVG: 4910600 19.4719 29.3301 42.9781 29.33 -76.2534 0.951087 42.978 0.95113 31.0253 GPRESSAVG: 4910600 19.5871 30.4203 45.089 31.2021 -78.1376 1.32562 41.9866 -0.96267 32.7489 TIMING: 4910600 CPU: 14774.1, 0.00306104/step Wall: 14774.1, 0.00306104/step, 0.0760159 hours remaining, 208.160156 MB of memory in use. ENERGY: 4910600 747.5895 2060.4267 1955.9967 114.9991 -206008.1250 17715.9710 0.0000 0.0000 34537.1541 -148875.9878 301.6216 -183413.1419 -148782.4717 300.1847 -147.8039 -115.1825 558812.5199 -8.5854 -8.6005 PRESSURE: 4910800 -213.513 93.2413 229.799 93.2415 124.682 -71.5571 229.798 -71.557 88.1604 GPRESSURE: 4910800 -145.283 98.8095 240.614 99.949 124.182 76.8882 269.477 -159.461 137.582 PRESSAVG: 4910800 31.0397 0.100532 49.8564 0.100614 -46.0877 50.8034 49.8564 50.8033 25.0829 GPRESSAVG: 4910800 30.0353 -0.629463 49.3786 -0.802677 -45.0455 52.6685 50.9818 50.2403 25.2937 TIMING: 4910800 CPU: 14774.7, 0.00306249/step Wall: 14774.7, 0.00306249/step, 0.0758816 hours remaining, 208.160156 MB of memory in use. ENERGY: 4910800 750.2524 2054.2024 1947.2596 113.6622 -206444.2749 17990.5289 0.0000 0.0000 34547.1226 -149041.2467 301.7086 -183588.3693 -148938.9312 300.5290 -0.2238 38.8268 557245.0025 3.3450 3.4279 PRESSURE: 4911000 42.9926 146.132 -44.4108 146.132 -5.99148 59.9147 -44.4098 59.914 46.4425 GPRESSURE: 4911000 88.6116 198.485 -96.5521 128.473 -23.3693 112.598 45.3031 50.6768 122.093 PRESSAVG: 4911000 0.886771 50.4097 5.14959 50.4098 -57.6362 31.5657 5.14954 31.5656 32.8469 GPRESSAVG: 4911000 2.46457 51.2105 6.56319 49.8204 -58.4071 29.8874 4.18073 32.7012 31.8859 TIMING: 4911000 CPU: 14775.4, 0.00308655/step Wall: 14775.4, 0.00308655/step, 0.0763064 hours remaining, 208.160156 MB of memory in use. ENERGY: 4911000 732.2683 2122.5776 1944.1119 118.4941 -206143.0289 17882.2823 0.0000 0.0000 34191.7846 -149151.5100 298.6054 -183343.2947 -149049.4162 300.2018 27.8146 62.4452 557950.4163 -7.9675 -8.0189 PRESSURE: 4911200 -61.9675 14.7923 42.0268 14.7931 -44.0501 132.81 42.0272 132.811 69.1277 GPRESSURE: 4911200 -7.446 -27.173 24.8035 57.9482 -1.04197 88.7154 138.982 195.664 72.2557 PRESSAVG: 4911200 18.0308 19.4799 -38.7152 19.4799 -53.1644 -14.0451 -38.7152 -14.0452 6.47601 GPRESSAVG: 4911200 18.8117 18.266 -39.8057 20.7932 -52.7047 -12.8378 -38.5044 -14.1085 5.52716 TIMING: 4911200 CPU: 14776, 0.00309469/step Wall: 14776, 0.00309469/step, 0.0763357 hours remaining, 208.160156 MB of memory in use. ENERGY: 4911200 768.8610 2140.4222 1957.7092 123.3658 -206139.0280 17811.3993 0.0000 0.0000 34269.2447 -149068.0257 299.2818 -183337.2705 -148976.5528 299.7089 -12.2967 21.2559 558318.6838 -9.5525 -9.4553 PRESSURE: 4911400 -237.799 -75.2221 -74.6664 -75.2216 190.403 122.84 -74.6647 122.839 -111.105 GPRESSURE: 4911400 -154.653 -60.4316 -99.4372 -7.45087 146.418 4.12385 -118.453 171.628 -56.4808 PRESSAVG: 4911400 28.5815 -43.5484 17.7617 -43.5484 28.1522 12.1337 17.7617 12.1337 -44.7669 GPRESSAVG: 4911400 26.1638 -44.302 17.2351 -44.3212 29.7367 11.9734 18.5458 12.0224 -43.9012 TIMING: 4911400 CPU: 14776.6, 0.0030937/step Wall: 14776.6, 0.0030937/step, 0.0761393 hours remaining, 208.160156 MB of memory in use. ENERGY: 4911400 754.5162 2103.6961 1967.1264 103.9806 -205936.4630 17796.2301 0.0000 0.0000 34435.6608 -148775.2528 300.7352 -183210.9136 -148673.9502 300.0990 -52.8338 -21.5719 558332.7497 3.9890 3.9998 PRESSURE: 4911600 86.0455 -64.4698 160.021 -64.47 -61.9425 28.6445 160.019 28.6441 135.166 GPRESSURE: 4911600 126.752 -178.519 205.269 34.1816 -32.535 0.748171 133.121 121.012 171.623 PRESSAVG: 4911600 38.4602 -8.37462 -42.7988 -8.37457 -86.7667 -45.5918 -42.7988 -45.5918 64.5355 GPRESSAVG: 4911600 40.5013 -6.37034 -44.653 -8.93998 -88.0358 -46.4104 -44.1512 -44.4926 63.8249 TIMING: 4911600 CPU: 14777.2, 0.00307096/step Wall: 14777.2, 0.00307096/step, 0.0754091 hours remaining, 208.160156 MB of memory in use. ENERGY: 4911600 732.6031 2080.1452 1935.0806 111.3249 -206029.1121 17679.9031 0.0000 0.0000 34532.7587 -148957.2965 301.5832 -183490.0552 -148862.3649 300.3974 53.0898 88.6132 556271.4933 5.4097 5.4302 PRESSURE: 4911800 -331.78 -14.7253 178.331 -14.7258 -274.714 88.7009 178.33 88.7013 -85.5034 GPRESSURE: 4911800 -281.251 1.92996 142.888 59.9453 -279.517 145.5 227.267 11.2291 -34.0021 PRESSAVG: 4911800 22.0394 62.8726 61.4752 62.8726 -44.6351 23.3361 61.4752 23.3361 45.0306 GPRESSAVG: 4911800 21.1198 62.0009 63.0275 64.4755 -43.8626 23.8658 60.8669 22.8916 45.0345 TIMING: 4911800 CPU: 14777.8, 0.00308025/step Wall: 14777.8, 0.00308025/step, 0.0754661 hours remaining, 208.160156 MB of memory in use. ENERGY: 4911800 803.3388 2083.3477 1964.3061 117.9679 -206023.9307 17602.6602 0.0000 0.0000 34436.2356 -149016.0745 300.7402 -183452.3101 -148923.6431 300.5237 -230.6658 -198.2567 558215.2062 7.4783 7.4306 PRESSURE: 4912000 59.7195 9.51059 -145.19 9.51013 199.748 -78.5298 -145.191 -78.5291 -49.2756 GPRESSURE: 4912000 83.3042 31.7843 -119.685 -68.5408 185.509 -87.4416 -120.519 -32.1254 47.3691 PRESSAVG: 4912000 -39.4283 63.606 -43.2852 63.606 13.1398 -35.5179 -43.2852 -35.518 30.5315 GPRESSAVG: 4912000 -40.4564 62.2575 -42.7532 64.9874 14.4643 -36.7212 -44.0322 -35.75 30.4558 TIMING: 4912000 CPU: 14778.4, 0.00305486/step Wall: 14778.4, 0.00305486/step, 0.0746744 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: 4912000 719.1078 2042.6111 1955.2638 109.9651 -206232.7794 17889.1015 0.0000 0.0000 34469.4410 -149047.2892 301.0302 -183516.7301 -148954.2056 299.7112 70.0639 105.3940 556989.7817 1.4143 1.4879 PRESSURE: 4912200 -29.6102 -115.899 101.051 -115.898 194.095 95.4558 101.052 95.4546 -195.343 GPRESSURE: 4912200 43.3704 -100.374 103.59 -144.78 218.863 107.122 123.383 113.136 -186.059 PRESSAVG: 4912200 -14.1899 -16.3501 -45.087 -16.3501 -20.475 -51.1269 -45.0869 -51.1268 16.7863 GPRESSAVG: 4912200 -13.516 -15.2264 -45.1127 -18.7306 -21.6538 -47.6285 -42.2885 -52.9749 16.7448 TIMING: 4912200 CPU: 14779, 0.00307193/step Wall: 14779, 0.00307193/step, 0.0749209 hours remaining, 208.160156 MB of memory in use. ENERGY: 4912200 726.1953 2071.5279 1946.7154 126.1539 -206084.3643 17636.6785 0.0000 0.0000 34426.6795 -149150.4139 300.6568 -183577.0934 -149053.9947 299.8518 -10.2863 25.3914 556798.4341 -5.9595 -6.1416 LDB: ============= START OF LOAD BALANCING ============== 14782.5 LDB: ============== END OF LOAD BALANCING =============== 14782.5 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14782.5 LDB: ============= START OF LOAD BALANCING ============== 14782.8 LDB: Largest compute 4820 load 0.027364 is 23.1% of average load 0.118261 LDB: Average compute 0.001719 is 1.5% of average load 0.118261 LDB: TIME 14782.8 LOAD: AVG 0.118261 MAX 0.216974 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.238 MB LDB: TIME 14782.8 LOAD: AVG 0.118261 MAX 0.216974 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.445 MB LDB: TIME 14782.8 LOAD: AVG 0.118261 MAX 0.216974 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.445 MB LDB: ============== END OF LOAD BALANCING =============== 14782.8 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14782.8 PRESSURE: 4912400 75.7323 -129.279 -2.45784 -129.279 321.251 49.7354 -2.45901 49.7362 -240.435 GPRESSURE: 4912400 88.0389 -148.074 19.7105 -136.984 393.42 -52.7125 72.9074 121.136 -227.992 PRESSAVG: 4912400 25.797 -18.4294 20.5066 -18.4294 42.4325 10.0811 20.5066 10.081 -24.1934 GPRESSAVG: 4912400 24.4203 -20.5978 19.8038 -17.146 42.8782 6.95119 20.3415 11.3675 -23.7154 TIMING: 4912400 CPU: 14779.7, 0.00310527/step Wall: 14779.7, 0.00310527/step, 0.0755616 hours remaining, 207.789062 MB of memory in use. ENERGY: 4912400 734.6448 2041.8336 1944.2164 113.8889 -206370.2383 17868.9800 0.0000 0.0000 34554.0472 -149112.6275 301.7691 -183666.6747 -149016.2026 299.9436 52.1829 84.4888 559649.5294 14.6787 14.5277 PRESSURE: 4912600 -218.773 10.5979 -8.91559 10.5973 144.536 -179.626 -8.91535 -179.626 7.91096 GPRESSURE: 4912600 -161.459 -31.734 -16.7837 28.9969 214.967 -103.749 25.3845 -230.075 -36.891 PRESSAVG: 4912600 2.98676 -36.3934 15.165 -36.3934 36.9843 26.1684 15.165 26.1684 -32.9027 GPRESSAVG: 4912600 4.78956 -34.7278 14.6916 -37.684 34.6622 26.0047 14.3944 26.3607 -32.8487 TIMING: 4912600 CPU: 14780.3, 0.00307626/step Wall: 14780.3, 0.00307626/step, 0.0746848 hours remaining, 207.789062 MB of memory in use. ENERGY: 4912600 733.7185 2065.1755 1956.7221 109.9392 -206121.7549 17723.6339 0.0000 0.0000 34334.6715 -149197.8941 299.8532 -183532.5656 -149106.9916 299.6426 -22.1085 5.5390 558665.3839 2.3561 2.2010 PRESSURE: 4912800 -47.1987 55.2968 81.7689 55.2964 60.629 -33.8266 81.7693 -33.8263 136.181 GPRESSURE: 4912800 -37.2645 81.8347 85.0016 112.314 57.8235 -46.0063 39.0585 -50.9621 230.168 PRESSAVG: 4912800 -39.0048 33.8995 -16.5587 33.8995 1.01176 7.06436 -16.5588 7.06435 20.8786 GPRESSAVG: 4912800 -39.525 32.4419 -15.2984 35.2621 2.09102 9.66507 -17.8933 6.70531 20.0504 TIMING: 4912800 CPU: 14780.9, 0.00306799/step Wall: 14780.9, 0.00306799/step, 0.0743136 hours remaining, 207.789062 MB of memory in use. ENERGY: 4912800 746.0728 2047.7012 1938.3618 109.1314 -206264.2019 17886.3555 0.0000 0.0000 34271.4010 -149265.1782 299.3007 -183536.5792 -149169.8158 299.7858 49.8703 83.5757 556662.8448 -5.7048 -5.7945 PRESSURE: 4913000 87.598 128.938 115.498 128.938 -72.6867 9.73819 115.498 9.73821 221.297 GPRESSURE: 4913000 149.703 48.1741 85.4487 138.308 -57.1638 11.9763 128.083 12.5179 228.803 PRESSAVG: 4913000 29.2161 -1.54761 -10.4763 -1.5477 -12.8211 65.5465 -10.4763 65.5465 26.3663 GPRESSAVG: 4913000 28.2103 -1.71554 -10.2806 -1.66965 -12.1005 64.2193 -10.7833 65.7712 26.5515 TIMING: 4913000 CPU: 14781.5, 0.00306074/step Wall: 14781.5, 0.00306074/step, 0.073968 hours remaining, 207.789062 MB of memory in use. ENERGY: 4913000 728.6680 2092.3302 1920.3644 109.6417 -205885.8202 17669.1691 0.0000 0.0000 34127.9202 -149237.7266 298.0476 -183365.6467 -149139.4732 299.4444 78.7361 107.1138 556151.6396 14.2538 14.2204 PRESSURE: 4913200 -79.534 -196.465 165.011 -196.465 25.0228 65.2255 165.011 65.2237 -328.023 GPRESSURE: 4913200 -55.0892 -116.787 219.703 -167.823 49.5157 46.187 154.069 72.0851 -290.482 PRESSAVG: 4913200 -30.5295 -16.2937 -13.2689 -16.2937 62.8788 77.5659 -13.2688 77.5658 -17.0883 GPRESSAVG: 4913200 -29.7728 -13.9886 -12.5114 -15.8085 61.9225 78.9953 -12.688 77.105 -17.407 TIMING: 4913200 CPU: 14782.1, 0.00303677/step Wall: 14782.1, 0.00303677/step, 0.0732198 hours remaining, 207.789062 MB of memory in use. ENERGY: 4913200 749.2953 2092.9374 1920.1907 116.4688 -206301.5326 17899.0120 0.0000 0.0000 34284.0507 -149239.5777 299.4111 -183523.6284 -149140.8403 298.9251 -127.5114 -98.6853 558912.2777 5.0870 4.9142 PRESSURE: 4913400 -419.774 -116.339 -64.7947 -116.339 -254.047 169.978 -64.7949 169.977 -359.916 GPRESSURE: 4913400 -363.885 11.1081 -43.9056 -230.978 -239.584 174.549 -142.846 104.795 -339.479 PRESSAVG: 4913400 45.3306 -54.7154 -27.6504 -54.7154 -9.47856 38.164 -27.6504 38.1639 -68.7087 GPRESSAVG: 4913400 44.7374 -51.6697 -28.6914 -56.4174 -8.27771 34.2982 -28.8513 41.6589 -69.2173 TIMING: 4913400 CPU: 14782.7, 0.00301461/step Wall: 14782.7, 0.00301461/step, 0.072518 hours remaining, 207.789062 MB of memory in use. ENERGY: 4913400 723.8197 2081.4311 1916.5046 113.4431 -205592.7991 17365.3626 0.0000 0.0000 34212.0008 -149180.2372 298.7819 -183392.2380 -149083.4329 299.0724 -344.5788 -314.3161 561255.0561 -10.9522 -10.9192 PRESSURE: 4913600 -249.944 -31.0983 17.0572 -31.0979 -80.6797 -18.3288 17.0557 -18.3293 -289.434 GPRESSURE: 4913600 -206.666 -79.5137 104.151 38.0575 -88.5866 -7.89138 23.6306 -71.9208 -227.847 PRESSAVG: 4913600 -18.984 33.1554 -6.23917 33.1554 16.912 57.3824 -6.23922 57.3825 -6.15187 GPRESSAVG: 4913600 -18.8807 30.1198 -4.47398 32.8965 16.7976 59.779 -5.46222 53.0448 -5.87796 TIMING: 4913600 CPU: 14783.3, 0.00301885/step Wall: 14783.3, 0.00301885/step, 0.0724524 hours remaining, 207.789062 MB of memory in use. ENERGY: 4913600 759.0485 2114.5027 1948.9222 119.5521 -205572.7842 17564.6728 0.0000 0.0000 34079.2527 -148986.8333 297.6226 -183066.0860 -148883.6162 299.3696 -206.6860 -174.3666 560709.9665 -2.7413 -2.6537 PRESSURE: 4913800 -44.9664 -22.6492 145.667 -22.649 124.3 -87.1204 145.668 -87.1206 -101.462 GPRESSURE: 4913800 -16.0769 -4.50373 155.64 -24.1396 152.444 -87.9171 114.488 -66.2138 -68.2408 PRESSAVG: 4913800 9.38788 20.8783 3.59116 20.8783 -16.2905 -24.8366 3.59129 -24.8366 -5.85588 GPRESSAVG: 4913800 8.95647 19.7423 1.1109 23.1101 -15.6748 -25.2225 3.39176 -23.659 -6.24523 TIMING: 4913800 CPU: 14783.9, 0.00302078/step Wall: 14783.9, 0.00302078/step, 0.072331 hours remaining, 207.789062 MB of memory in use. ENERGY: 4913800 740.1547 2037.0658 1944.4869 104.0815 -206227.1271 17940.7285 0.0000 0.0000 34322.7072 -149137.9025 299.7487 -183460.6097 -149040.4000 299.3778 -7.3759 22.7089 558574.0813 -4.2528 -4.3212 PRESSURE: 4914000 -35.0717 -148.945 -200.816 -148.945 -241.968 58.9921 -200.816 58.9921 -132.093 GPRESSURE: 4914000 35.8191 -229.569 -148.679 -87.269 -222.264 50.5113 -156.419 136.596 -116.866 PRESSAVG: 4914000 -12.9703 10.1436 -57.537 10.1437 2.52389 -34.3472 -57.537 -34.3471 -8.02372 GPRESSAVG: 4914000 -12.8945 10.0035 -57.0887 10.5359 2.70151 -32.8106 -56.2649 -34.4437 -8.2547 TIMING: 4914000 CPU: 14784.5, 0.00301231/step Wall: 14784.5, 0.00301231/step, 0.0719608 hours remaining, 207.789062 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: 4914000 753.7097 2053.8565 1954.5388 120.3991 -206153.5666 17834.5535 0.0000 0.0000 34301.7055 -149134.8036 299.5653 -183436.5091 -149031.7183 299.3646 -136.3775 -101.1037 559661.5018 -6.1567 -6.1492 PRESSURE: 4914200 -163.882 -71.6689 -28.2427 -71.6682 -125.552 15.264 -28.2423 15.2636 -181.103 GPRESSURE: 4914200 -160.619 -59.164 -126.077 -87.8499 -99.5632 12.5985 -42.0438 -51.4418 -119.38 PRESSAVG: 4914200 14.1772 -40.5435 -94.4684 -40.5435 16.043 -33.8255 -94.4684 -33.8255 -33.2629 GPRESSAVG: 4914200 13.8609 -39.7231 -94.9259 -42.2574 15.3852 -35.5339 -95.3241 -33.9139 -32.426 TIMING: 4914200 CPU: 14785.1, 0.00301309/step Wall: 14785.1, 0.00301309/step, 0.0718121 hours remaining, 207.789062 MB of memory in use. ENERGY: 4914200 737.8913 2104.9347 1971.3760 108.8416 -205796.2274 17499.5907 0.0000 0.0000 34241.9488 -149131.6443 299.0435 -183373.5931 -149042.3799 299.0659 -156.8456 -126.5206 558128.0264 -1.0142 -1.0600 PRESSURE: 4914400 200.049 -153.048 -109.747 -153.049 2.43994 68.6146 -109.747 68.6156 -53.1795 GPRESSURE: 4914400 160.658 -132.067 -158.529 -190.197 36.4268 69.8794 -28.4117 98.3555 46.2119 PRESSAVG: 4914400 -15.447 -53.8051 -37.5397 -53.8051 -9.62842 -2.76933 -37.5397 -2.76931 -12.7295 GPRESSAVG: 4914400 -13.8804 -52.7982 -35.5898 -53.6017 -10.9328 -3.24284 -37.3278 -0.936961 -12.8584 TIMING: 4914400 CPU: 14785.7, 0.00301494/step Wall: 14785.7, 0.00301494/step, 0.0716886 hours remaining, 207.789062 MB of memory in use. ENERGY: 4914400 751.8831 2033.2715 1942.7686 103.3102 -206064.4521 17985.7017 0.0000 0.0000 34224.0207 -149023.4962 298.8869 -183247.5169 -148922.9438 299.9225 49.7698 81.0990 557906.4013 -12.6016 -12.5572 PRESSURE: 4914600 41.6889 66.7777 17.6724 66.7785 -62.7584 138.072 17.6717 138.072 171.576 GPRESSURE: 4914600 2.82979 154.325 17.6247 36.0259 56.3001 121.605 79.4849 154.408 195.103 PRESSAVG: 4914600 -41.8853 26.0513 29.4217 26.0512 92.8963 53.0638 29.4217 53.0637 -15.6676 GPRESSAVG: 4914600 -42.6299 24.9446 28.3506 25.4098 93.7419 53.1244 27.4253 53.3325 -15.9458 TIMING: 4914600 CPU: 14786.3, 0.00298276/step Wall: 14786.3, 0.00298276/step, 0.0707577 hours remaining, 207.789062 MB of memory in use. ENERGY: 4914600 713.5093 2111.7445 1931.0522 130.1183 -206050.7834 17822.3133 0.0000 0.0000 34394.4943 -148947.5514 300.3757 -183342.0457 -148856.7066 300.3973 50.1689 84.7444 557558.4456 11.7811 11.7221 PRESSURE: 4914800 10.31 88.0837 102.307 88.0846 -86.2439 66.7682 102.307 66.7686 22.9371 GPRESSURE: 4914800 56.1927 -8.49461 184.121 118.255 -84.5684 25.0498 150.848 84.86 72.4661 PRESSAVG: 4914800 -36.1311 -16.3994 4.59591 -16.3994 10.7567 29.2176 4.59591 29.2177 25.7519 GPRESSAVG: 4914800 -35.4588 -15.822 3.09999 -15.8212 10.3615 29.1806 8.30424 29.7822 25.6367 TIMING: 4914800 CPU: 14786.9, 0.00303365/step Wall: 14786.9, 0.00303365/step, 0.0717964 hours remaining, 207.789062 MB of memory in use. ENERGY: 4914800 721.6060 2048.0814 1931.0226 102.9321 -205842.4635 17659.4096 0.0000 0.0000 34210.3002 -149169.1115 298.7671 -183379.4117 -149075.6875 300.2444 -17.6656 14.6968 557521.1744 0.1258 0.1798 PRESSURE: 4915000 39.7968 -110.294 -75.4233 -110.293 -127.294 2.25252 -75.4239 2.25281 11.8695 GPRESSURE: 4915000 58.3135 -163.351 -120.935 -56.8376 -75.7199 25.1339 -70.4969 23.0485 36.8484 PRESSAVG: 4915000 -50.305 -2.637 43.024 -2.63701 -36.0091 36.5317 43.024 36.5317 41.2144 GPRESSAVG: 4915000 -51.173 -3.76267 44.7971 -2.35502 -35.6132 38.0953 39.3872 33.7067 41.6407 TIMING: 4915000 CPU: 14787.6, 0.00306911/step Wall: 14787.6, 0.00306911/step, 0.0724652 hours remaining, 207.789062 MB of memory in use. ENERGY: 4915000 784.0094 2042.0711 1930.1402 104.8037 -206053.6866 17770.7147 0.0000 0.0000 34179.1680 -149242.7793 298.4952 -183421.9474 -149150.2110 299.6115 -25.2093 6.4807 557072.5345 -15.0332 -15.0485 PRESSURE: 4915200 -83.1128 -29.4908 -70.6267 -29.4908 -370.63 -5.70513 -70.625 -5.70296 -159.412 GPRESSURE: 4915200 -120.861 -117.737 -4.61811 -56.983 -271.479 25.1481 -88.2389 -32.1148 -126.486 PRESSAVG: 4915200 -3.05031 22.6558 31.6133 22.656 -42.6376 -53.0403 31.6134 -53.0402 -10.1043 GPRESSAVG: 4915200 -3.57925 23.5594 29.5956 23.5922 -42.1631 -53.2586 33.6524 -51.1594 -10.4678 TIMING: 4915200 CPU: 14788.2, 0.00308395/step Wall: 14788.2, 0.00308395/step, 0.0726441 hours remaining, 207.789062 MB of memory in use. ENERGY: 4915200 759.1543 2060.8654 1941.2966 111.8982 -206131.8780 17667.7382 0.0000 0.0000 34133.9480 -149456.9772 298.1003 -183590.9252 -149360.2347 298.7732 -204.3849 -172.9419 558906.6893 -18.5974 -18.7367 PRESSURE: 4915400 2.89491 -12.4177 -165.671 -12.4164 -168.783 46.1297 -165.671 46.1308 -182.676 GPRESSURE: 4915400 -19.6582 8.58051 -234.284 -2.61145 -151.776 -2.63886 -148.605 15.3933 -86.6894 PRESSAVG: 4915400 -7.69405 24.3329 -3.59013 24.3329 10.1912 -34.9556 -3.59015 -34.9556 -24.5354 GPRESSAVG: 4915400 -8.02058 24.5187 -2.43092 21.4173 10.8965 -36.747 -4.98508 -33.7739 -24.5077 TIMING: 4915400 CPU: 14788.8, 0.00306029/step Wall: 14788.8, 0.00306029/step, 0.0719169 hours remaining, 207.789062 MB of memory in use. ENERGY: 4915400 746.1905 2056.0294 1924.4761 108.7115 -206566.1354 17897.9019 0.0000 0.0000 34199.1483 -149633.6775 298.6697 -183832.8258 -149532.3066 297.9306 -116.1879 -86.0413 558558.3154 -7.3461 -7.2106 PRESSURE: 4915600 79.594 32.6452 -199.456 32.6478 231.382 105.244 -199.455 105.244 60.3124 GPRESSURE: 4915600 125.472 34.7906 -140.167 36.2107 274.216 77.5489 -207.715 140.893 85.812 PRESSAVG: 4915600 -2.4163 8.33219 15.4492 8.33212 10.3314 24.4858 15.4493 24.486 19.7209 GPRESSAVG: 4915600 -2.45064 8.59752 15.5979 9.05204 9.16448 23.7465 16.0838 23.9495 20.9618 TIMING: 4915600 CPU: 14789.4, 0.00306975/step Wall: 14789.4, 0.00306975/step, 0.0719685 hours remaining, 207.789062 MB of memory in use. ENERGY: 4915600 685.9533 2074.1793 1916.3410 116.1918 -206364.8901 17998.6515 0.0000 0.0000 33938.0538 -149635.5193 296.3895 -183573.5731 -149538.3064 297.8639 123.7629 161.8335 557662.0920 9.2120 9.2252 PRESSURE: 4915800 -6.47593 35.3535 104.127 35.3525 -47.7472 2.3115 104.128 2.31252 58.1868 GPRESSURE: 4915800 10.6915 30.8178 41.3265 -13.9522 -53.5401 -67.9994 41.6873 -25.7909 144.785 PRESSAVG: 4915800 -71.4003 -16.0361 22.7326 -16.0362 -45.0462 32.0132 22.7325 32.0132 122.486 GPRESSAVG: 4915800 -70.6465 -14.6515 22.1946 -15.724 -44.1925 33.7775 22.068 30.0857 120.806 TIMING: 4915800 CPU: 14790, 0.00307224/step Wall: 14790, 0.00307224/step, 0.0718563 hours remaining, 207.789062 MB of memory in use. ENERGY: 4915800 743.6839 2055.2166 1985.8816 116.1592 -206511.9472 17902.8548 0.0000 0.0000 34074.1243 -149634.0267 297.5778 -183708.1510 -149540.4289 298.4054 1.3212 33.9789 555275.0932 2.0130 1.9889 PRESSURE: 4916000 -41.2223 -10.1158 -7.30551 -10.1157 -192.266 6.24472 -7.3051 6.24484 -2.25763 GPRESSURE: 4916000 -5.14027 -31.737 -51.9546 98.8376 -76.9722 -70.0289 36.898 21.3013 -66.2023 PRESSAVG: 4916000 17.8482 37.4715 43.8515 37.4715 -13.0592 0.639925 43.8517 0.639928 24.7612 GPRESSAVG: 4916000 18.2438 34.869 43.4777 38.8083 -13.9749 0.921773 45.6037 2.32077 25.2623 TIMING: 4916000 CPU: 14790.6, 0.00310778/step Wall: 14790.6, 0.00310778/step, 0.0725149 hours remaining, 207.789062 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: 4916000 726.3820 2106.0633 1972.2338 123.8002 -206585.1339 17764.3341 0.0000 0.0000 34099.3454 -149792.9752 297.7981 -183892.3205 -149695.5182 298.2290 -78.5820 -49.4383 556094.8787 9.8501 9.8437 PRESSURE: 4916200 -139.044 61.2213 399.748 61.2197 152.583 72.5452 399.749 72.5458 -202.421 GPRESSURE: 4916200 -138.537 15.0543 303.943 129.737 193.858 82.6725 426.188 19.9148 -136.66 PRESSAVG: 4916200 -22.9421 43.8352 41.0788 43.8351 17.8591 42.7684 41.0788 42.7684 35.695 GPRESSAVG: 4916200 -22.9248 44.2491 41.1626 44.4821 18.0821 43.776 39.4583 42.119 35.7856 TIMING: 4916200 CPU: 14791.2, 0.00308666/step Wall: 14791.2, 0.00308666/step, 0.0718507 hours remaining, 207.789062 MB of memory in use. ENERGY: 4916200 731.4053 2111.1037 1958.5101 124.8838 -206362.6187 17762.9880 0.0000 0.0000 34052.9466 -149620.7812 297.3929 -183673.7278 -149526.7752 298.5046 -62.9606 -27.1129 556795.8064 10.2040 10.3143 LDB: ============= START OF LOAD BALANCING ============== 14794.7 LDB: ============== END OF LOAD BALANCING =============== 14794.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14794.7 LDB: ============= START OF LOAD BALANCING ============== 14795 LDB: Largest compute 4820 load 0.027591 is 23.3% of average load 0.118212 LDB: Average compute 0.001720 is 1.5% of average load 0.118212 LDB: TIME 14795 LOAD: AVG 0.118212 MAX 0.218159 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.332 MB LDB: TIME 14795 LOAD: AVG 0.118212 MAX 0.218159 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: TIME 14795 LOAD: AVG 0.118212 MAX 0.218159 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: ============== END OF LOAD BALANCING =============== 14795 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14795 PRESSURE: 4916400 -12.654 -46.6744 -26.0842 -46.6743 -219.352 -10.3654 -26.0833 -10.3672 -24.3059 GPRESSURE: 4916400 57.7529 -42.7463 58.5711 -128.314 -221.647 1.93219 37.7396 -4.62133 -1.38493 PRESSAVG: 4916400 -5.73583 10.8056 58.9992 10.8055 -41.0982 22.4374 58.9992 22.4374 85.3812 GPRESSAVG: 4916400 -6.32662 9.16525 60.3914 10.083 -42.5761 20.8049 59.4566 22.5984 87.0855 TIMING: 4916400 CPU: 14791.9, 0.00312954/step Wall: 14791.9, 0.00312954/step, 0.0726748 hours remaining, 209.328125 MB of memory in use. ENERGY: 4916400 717.3738 2092.3144 1914.7347 106.5694 -206524.3186 17827.8898 0.0000 0.0000 34183.3332 -149682.1034 298.5316 -183865.4366 -149579.7167 298.4240 -85.4372 -55.0930 558092.8669 12.8490 12.7276 PRESSURE: 4916600 -74.9706 23.64 -101.764 23.6398 -92.7108 -79.2686 -101.766 -79.2678 140.422 GPRESSURE: 4916600 -9.78698 -17.8935 -181.424 103.777 -44.7968 -109.16 -29.3248 -64.0569 129.656 PRESSAVG: 4916600 -51.3028 -24.7177 12.07 -24.7177 -59.3305 -8.52446 12.0701 -8.52453 27.4896 GPRESSAVG: 4916600 -51.2293 -22.2172 11.622 -24.9889 -57.2774 -7.59444 12.4241 -8.71645 25.9528 TIMING: 4916600 CPU: 14792.5, 0.00306334/step Wall: 14792.5, 0.00306334/step, 0.0709673 hours remaining, 209.328125 MB of memory in use. ENERGY: 4916600 742.0370 2097.5953 1943.9193 121.4318 -206679.2241 17986.1131 0.0000 0.0000 34114.6784 -149673.4492 297.9320 -183788.1276 -149578.2170 297.9107 -9.0866 25.0241 558603.8573 -27.7146 -27.5180 PRESSURE: 4916800 27.5052 -36.7415 -53.7111 -36.7427 -251.617 119.487 -53.7112 119.486 -93.7108 GPRESSURE: 4916800 54.955 60.4576 -105.056 16.3948 -222.941 100.377 -31.7261 30.4193 -53.3671 PRESSAVG: 4916800 27.6876 -94.0729 9.89475 -94.0729 -26.2951 -53.9689 9.89475 -53.969 45.1952 GPRESSAVG: 4916800 28.1733 -94.9918 10.1181 -92.6734 -26.5138 -55.5081 9.26659 -52.0758 45.2402 TIMING: 4916800 CPU: 14793.1, 0.0030607/step Wall: 14793.1, 0.0030607/step, 0.0707363 hours remaining, 209.328125 MB of memory in use. ENERGY: 4916800 753.8715 2027.9123 1970.4173 119.7966 -206546.5668 17897.5208 0.0000 0.0000 34226.4459 -149550.6025 298.9081 -183777.0484 -149457.3436 298.1857 -105.9410 -73.7845 557938.0940 15.5292 15.6332 PRESSURE: 4917000 45.9381 10.5135 -20.0204 10.5143 -5.5956 47.2892 -20.02 47.2885 158.151 GPRESSURE: 4917000 85.99 1.54723 -51.4824 49.0493 21.8042 154.007 28.0134 -13.6006 196.074 PRESSAVG: 4917000 7.02914 -23.9208 -18.7641 -23.9208 -25.6817 11.2334 -18.7641 11.2334 6.2801 GPRESSAVG: 4917000 6.34426 -23.5565 -16.8913 -25.6072 -25.2421 11.2132 -19.3449 10.3273 6.29722 TIMING: 4917000 CPU: 14793.7, 0.00306405/step Wall: 14793.7, 0.00306405/step, 0.0706435 hours remaining, 209.328125 MB of memory in use. ENERGY: 4917000 713.6234 2139.0366 1939.6758 106.9094 -206129.2213 17908.0901 0.0000 0.0000 33902.6949 -149419.1911 296.0807 -183321.8860 -149325.2060 297.9045 66.1644 101.2893 558827.0220 -4.1242 -4.2002 PRESSURE: 4917200 86.366 -62.9996 64.1715 -62.9991 159.59 5.1538 64.1703 5.15482 42.2978 GPRESSURE: 4917200 109.178 -32.5055 101.9 -14.6552 216.883 -8.40057 59.2417 41.2045 56.4291 PRESSAVG: 4917200 -24.965 -28.4798 51.7493 -28.4799 -15.2587 -13.2894 51.7494 -13.2893 33.0333 GPRESSAVG: 4917200 -24.9749 -29.0133 50.3606 -28.9796 -15.7399 -13.0464 51.3686 -12.5749 33.6875 TIMING: 4917200 CPU: 14794.3, 0.00301213/step Wall: 14794.3, 0.00301213/step, 0.0692789 hours remaining, 209.328125 MB of memory in use. ENERGY: 4917200 738.5207 2072.0541 1975.1219 116.0120 -206538.8916 18055.4080 0.0000 0.0000 34418.9444 -149162.8305 300.5892 -183581.7749 -149067.4463 298.9565 96.0846 127.4965 557614.0612 -2.3968 -2.3424 PRESSURE: 4917400 -167.154 -46.2362 -75.189 -46.2368 -98.9529 210.58 -75.1879 210.581 -85.9536 GPRESSURE: 4917400 -122.473 -67.3096 -49.2723 -76.2384 -76.4288 173.08 -9.70417 217.408 -57.9383 PRESSAVG: 4917400 -13.9566 -36.6134 64.9385 -36.6133 9.87206 33.1293 64.9386 33.1293 -21.6291 GPRESSAVG: 4917400 -13.3694 -36.5505 65.0101 -34.9644 9.0532 34.8778 66.6195 31.2568 -21.5379 TIMING: 4917400 CPU: 14794.9, 0.00300479/step Wall: 14794.9, 0.00300479/step, 0.0689433 hours remaining, 209.328125 MB of memory in use. ENERGY: 4917400 775.3261 2060.6281 1972.5205 115.7494 -206142.1866 17788.1789 0.0000 0.0000 34343.4904 -149086.2931 299.9302 -183429.7835 -148982.3263 299.3283 -117.3535 -85.6133 556890.4763 -8.5712 -8.6180 PRESSURE: 4917600 -9.57881 -30.5785 222.021 -30.5784 -223.681 28.5284 222.021 28.5285 -239.138 GPRESSURE: 4917600 49.386 -25.8295 122.25 -62.5593 -157.883 55.5027 99.531 54.4639 -257.763 PRESSAVG: 4917600 5.79807 -44.4517 73.1036 -44.4517 -14.8127 44.507 73.1035 44.507 -32.9263 GPRESSAVG: 4917600 6.2438 -45.3263 70.9321 -46.0539 -14.7803 44.8784 74.2043 43.0018 -33.4488 TIMING: 4917600 CPU: 14795.5, 0.00300354/step Wall: 14795.5, 0.00300354/step, 0.0687478 hours remaining, 209.328125 MB of memory in use. ENERGY: 4917600 736.6499 2076.5284 1937.9330 111.9954 -205711.6195 17438.8735 0.0000 0.0000 34191.8026 -149217.8366 298.6055 -183409.6392 -149124.5409 298.8898 -157.4660 -122.0867 556989.4836 -13.9803 -13.9951 PRESSURE: 4917800 -27.9484 34.4269 -70.8013 34.427 -48.9718 16.282 -70.8008 16.283 205.2 GPRESSURE: 4917800 48.9914 -24.3682 -96.1178 10.3889 -77.3763 41.183 -39.3062 21.6805 252.157 PRESSAVG: 4917800 26.4996 -29.7374 19.3711 -29.7374 -25.7877 41.9536 19.3711 41.9537 24.4717 GPRESSAVG: 4917800 25.84 -28.116 21.4494 -30.6374 -26.0016 41.7018 16.4911 44.5442 25.1932 TIMING: 4917800 CPU: 14796.1, 0.00300746/step Wall: 14796.1, 0.00300746/step, 0.0686704 hours remaining, 209.328125 MB of memory in use. ENERGY: 4917800 738.0140 2112.9107 1960.4512 110.6417 -206084.6411 17690.4976 0.0000 0.0000 34174.7711 -149297.3549 298.4568 -183472.1260 -149196.6668 298.9653 42.7601 74.5906 556329.0133 8.3945 8.3439 PRESSURE: 4918000 -15.7317 140.528 77.6066 140.527 79.2056 85.1668 77.6072 85.1664 130.552 GPRESSURE: 4918000 28.0077 91.6008 97.6933 114.588 106.992 147.68 72.454 -12.5459 154.404 PRESSAVG: 4918000 -35.2022 22.6958 29.2812 22.6958 -12.6112 34.2385 29.2812 34.2385 27.3623 GPRESSAVG: 4918000 -35.0151 23.6789 29.0329 22.3413 -12.929 32.6692 28.252 33.7095 26.8598 TIMING: 4918000 CPU: 14796.7, 0.00301035/step Wall: 14796.7, 0.00301035/step, 0.0685691 hours remaining, 209.328125 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: 4918000 745.9822 2121.7974 1958.4788 115.2455 -206343.8679 17926.6832 0.0000 0.0000 34224.5350 -149251.1458 298.8914 -183475.6807 -149155.9259 299.3629 64.6752 96.4679 556576.7499 -6.8170 -7.0281 PRESSURE: 4918200 -79.7259 8.12485 -106.068 8.12528 -77.9026 10.4358 -106.069 10.4362 -6.00727 GPRESSURE: 4918200 -26.5322 73.8261 24.534 -94.875 -83.7787 -32.333 -100.45 66.6293 35.8443 PRESSAVG: 4918200 23.4523 49.3777 16.2495 49.3777 28.987 82.9637 16.2494 82.9637 -12.8083 GPRESSAVG: 4918200 22.5526 47.0125 17.3829 49.1346 30.4203 82.6828 17.3436 83.3976 -13.3468 TIMING: 4918200 CPU: 14797.3, 0.00300585/step Wall: 14797.3, 0.00300585/step, 0.0682997 hours remaining, 209.328125 MB of memory in use. ENERGY: 4918200 729.0474 2080.1940 1942.7958 120.8458 -205854.4583 17490.2820 0.0000 0.0000 34249.6808 -149241.6125 299.1110 -183491.2933 -149152.3502 298.8632 -54.5453 -24.8222 556229.4349 13.2103 13.2087 PRESSURE: 4918400 104.041 -146.805 50.3798 -146.807 -95.8275 -40.7056 50.3799 -40.7052 211.899 GPRESSURE: 4918400 199.088 -157.643 -3.93091 -45.6582 -119.678 18.8486 92.9287 -82.7452 235.993 PRESSAVG: 4918400 4.44085 -76.9109 -18.8991 -76.9109 -38.6015 -56.7442 -18.8991 -56.7441 27.5826 GPRESSAVG: 4918400 4.07131 -76.396 -20.6343 -77.6038 -38.5112 -55.8609 -17.3365 -57.7452 28.4108 TIMING: 4918400 CPU: 14797.9, 0.00302938/step Wall: 14797.9, 0.00302938/step, 0.0686659 hours remaining, 209.328125 MB of memory in use. ENERGY: 4918400 711.0485 2092.3126 1955.5172 112.3395 -205920.6867 17785.0236 0.0000 0.0000 34316.9682 -148947.4771 299.6986 -183264.4453 -148848.3029 299.3538 73.3708 105.1341 556336.1657 -2.1927 -2.0097 PRESSURE: 4918600 442.489 4.67009 110.332 4.66953 -63.6743 -58.5664 110.332 -58.5672 209.21 GPRESSURE: 4918600 450.904 -7.20586 155.646 -90.2536 -36.4354 -64.4909 114.154 -161.919 268.219 PRESSAVG: 4918600 -25.3302 -10.6479 -3.45158 -10.6479 -6.08047 -90.693 -3.45172 -90.6929 32.6021 GPRESSAVG: 4918600 -24.5036 -11.2061 -2.25567 -9.79073 -6.65316 -89.1727 -4.39991 -90.9748 32.1343 TIMING: 4918600 CPU: 14798.5, 0.00305884/step Wall: 14798.5, 0.00305884/step, 0.0691637 hours remaining, 209.328125 MB of memory in use. ENERGY: 4918600 748.9212 2047.0839 1946.1121 112.2120 -206307.2028 18099.5907 0.0000 0.0000 34381.6861 -148971.5967 300.2638 -183353.2828 -148880.6234 300.0711 196.0081 227.5624 557463.4650 0.3971 0.3258 PRESSURE: 4918800 -17.2275 -16.5011 -1.70039 -16.4998 -199.475 36.2165 -1.70004 36.2169 -145.52 GPRESSURE: 4918800 -26.7781 -64.6123 73.4165 -43.1715 -170.043 111.7 -6.17885 -36.9402 -82.3224 PRESSAVG: 4918800 30.5753 0.528611 32.2818 0.528584 -27.5783 -0.415521 32.2818 -0.415506 36.4442 GPRESSAVG: 4918800 29.5967 1.38142 32.2891 0.42252 -27.808 -3.26861 30.5427 0.374991 37.3923 TIMING: 4918800 CPU: 14799.1, 0.00304002/step Wall: 14799.1, 0.00304002/step, 0.0685693 hours remaining, 209.328125 MB of memory in use. ENERGY: 4918800 754.3970 2074.7718 1933.1496 104.3823 -206110.6168 17676.9778 0.0000 0.0000 34444.5721 -149122.3662 300.8130 -183566.9383 -149025.5769 299.8331 -120.7409 -93.0479 558330.5804 13.1471 13.0604 PRESSURE: 4919000 -10.6252 59.2481 -99.7219 59.248 -301.222 127.524 -99.721 127.525 -147.104 GPRESSURE: 4919000 58.5868 68.0077 -182.964 28.6104 -298.599 199.524 -44.9874 160.711 -119.769 PRESSAVG: 4919000 -13.9055 8.69875 -12.8248 8.69883 -26.0928 3.62037 -12.8248 3.62046 80.114 GPRESSAVG: 4919000 -13.3085 5.01313 -14.4232 12.6069 -26.5966 6.22677 -9.20362 3.86892 79.825 TIMING: 4919000 CPU: 14799.8, 0.00308017/step Wall: 14799.8, 0.00308017/step, 0.0693039 hours remaining, 209.328125 MB of memory in use. ENERGY: 4919000 716.5917 2110.3040 1952.6014 121.5125 -205842.5708 17734.3628 0.0000 0.0000 34048.0217 -149159.1767 297.3498 -183207.1984 -149065.9972 299.1555 -152.9836 -119.9271 559144.0975 13.3719 13.3066 PRESSURE: 4919200 -116.986 1.25154 42.8591 1.25238 218.709 64.5346 42.8602 64.5336 -268.058 GPRESSURE: 4919200 -125.433 -73.8659 131.676 114.301 243.383 -110.887 -25.225 85.9035 -185.854 PRESSAVG: 4919200 12.8702 -16.1645 3.76067 -16.1645 -35.1422 7.12928 3.76066 7.12934 25.935 GPRESSAVG: 4919200 13.1576 -13.746 3.17332 -19.5681 -34.7049 6.27819 3.00585 5.84006 24.9502 TIMING: 4919200 CPU: 14800.4, 0.00305527/step Wall: 14800.4, 0.00305527/step, 0.0685738 hours remaining, 209.328125 MB of memory in use. ENERGY: 4919200 733.8267 2149.0952 1916.3842 115.1170 -205911.4365 17840.6469 0.0000 0.0000 34186.6044 -148969.7620 298.5601 -183156.3664 -148881.1395 299.2070 -55.4449 -22.6347 560032.0472 1.2210 1.1343 PRESSURE: 4919400 67.7395 -0.5048 22.9604 -0.505249 -5.75596 -11.0683 22.9604 -11.0689 225.715 GPRESSURE: 4919400 110.101 16.6708 -15.9028 -49.0776 -7.09084 -45.8401 5.26134 72.6739 271.524 PRESSAVG: 4919400 18.4121 -13.2346 21.3538 -13.2347 -5.65708 -27.6821 21.3537 -27.682 19.8049 GPRESSAVG: 4919400 18.5649 -12.2903 23.2456 -13.6556 -6.23043 -28.9869 21.5939 -26.162 20.1214 TIMING: 4919400 CPU: 14801, 0.00305371/step Wall: 14801, 0.00305371/step, 0.0683691 hours remaining, 209.328125 MB of memory in use. ENERGY: 4919400 724.1419 2036.2614 1941.2763 113.7491 -205974.6610 17840.5132 0.0000 0.0000 34364.0906 -148954.6285 300.1102 -183318.7192 -148856.5303 300.0402 95.8996 124.8448 557461.8620 10.8533 10.8186 PRESSURE: 4919600 32.5058 -149.543 133.012 -149.541 -66.9063 10.1058 133.012 10.1075 154.768 GPRESSURE: 4919600 80.0524 -192.534 117.202 -107.17 -25.7398 -50.671 199.036 118.996 152.182 PRESSAVG: 4919600 0.937958 3.2123 -7.52943 3.21227 -57.0474 9.93134 -7.52946 9.93146 53.9396 GPRESSAVG: 4919600 0.972469 2.60061 -8.84083 3.95545 -57.5527 11.2794 -8.54887 9.58677 54.5392 TIMING: 4919600 CPU: 14801.6, 0.00304138/step Wall: 14801.6, 0.00304138/step, 0.0679242 hours remaining, 209.328125 MB of memory in use. ENERGY: 4919600 730.9786 2164.8290 1916.3470 122.3788 -205739.5063 17760.2179 0.0000 0.0000 34162.2984 -148882.4565 298.3478 -183044.7550 -148798.0880 300.2142 40.1223 68.8315 557219.1338 -0.7233 -0.6803 PRESSURE: 4919800 14.3972 -234.794 -135.656 -234.794 -55.5252 -89.2022 -135.657 -89.2016 4.97731 GPRESSURE: 4919800 1.6427 -228.605 -131.428 -243.73 -11.3379 -65.3092 -127.34 -55.8208 62.8852 PRESSAVG: 4919800 -13.135 -4.58867 -96.4963 -4.58875 24.5034 -8.76774 -96.4963 -8.76764 -27.7965 GPRESSAVG: 4919800 -12.6025 -5.61172 -96.9827 -2.65394 24.8307 -10.4706 -96.8914 -7.9028 -28.3088 TIMING: 4919800 CPU: 14802.2, 0.00306786/step Wall: 14802.2, 0.00306786/step, 0.068345 hours remaining, 209.328125 MB of memory in use. ENERGY: 4919800 765.3632 2038.7112 1963.6497 110.9511 -206229.4593 17935.4964 0.0000 0.0000 34501.2405 -148914.0471 301.3079 -183415.2876 -148818.6533 300.8816 -12.0502 17.7300 556996.5622 -5.4760 -5.3602 PRESSURE: 4920000 -79.1545 -198.774 -63.0898 -198.773 135.631 -144.817 -63.09 -144.817 -147.717 GPRESSURE: 4920000 -21.5469 -231.531 -141.975 -195.402 143.032 -133.812 -150.37 -246.403 -121.815 PRESSAVG: 4920000 -16.0401 -21.3549 -44.892 -21.3549 5.81865 -27.0258 -44.8921 -27.0258 18.1176 GPRESSAVG: 4920000 -15.8227 -20.364 -43.7455 -22.6631 6.35583 -26.5789 -44.7122 -27.6605 16.9679 TIMING: 4920000 CPU: 14802.8, 0.00304033/step Wall: 14802.8, 0.00304033/step, 0.0675628 hours remaining, 209.328125 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: 4920000 715.4253 2008.9632 1958.8166 121.7301 -205799.8810 17634.1532 0.0000 0.0000 34355.6934 -149005.0993 300.0368 -183360.7927 -148905.6943 300.5786 -30.4135 -0.1101 558155.4740 2.6320 2.5003 PRESSURE: 4920200 -179.619 35.5179 -113.102 35.5186 -42.584 -21.238 -113.101 -21.2379 -122.782 GPRESSURE: 4920200 -142.114 11.4548 -200.143 104.914 -61.2167 -2.23064 -81.9212 -0.243921 -46.3243 PRESSAVG: 4920200 -25.5002 -1.81013 -28.8572 -1.81014 41.0186 5.57954 -28.8571 5.57948 -12.9111 GPRESSAVG: 4920200 -26.4509 -0.743125 -29.6881 -3.42536 40.5111 6.71527 -27.5098 5.62682 -11.7848 TIMING: 4920200 CPU: 14803.4, 0.00303327/step Wall: 14803.4, 0.00303327/step, 0.0672375 hours remaining, 209.328125 MB of memory in use. ENERGY: 4920200 805.3217 2073.5397 1939.7418 117.9191 -205969.8543 17668.6171 0.0000 0.0000 34420.2481 -148944.4667 300.6006 -183364.7148 -148850.2308 300.5253 -114.9948 -83.2183 556764.6045 0.8691 0.7585 LDB: ============= START OF LOAD BALANCING ============== 14806.9 LDB: ============== END OF LOAD BALANCING =============== 14806.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14806.9 LDB: ============= START OF LOAD BALANCING ============== 14807.2 LDB: Largest compute 4820 load 0.026734 is 22.6% of average load 0.118217 LDB: Average compute 0.001729 is 1.5% of average load 0.118217 LDB: TIME 14807.2 LOAD: AVG 0.118217 MAX 0.218346 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.332 MB LDB: TIME 14807.2 LOAD: AVG 0.118217 MAX 0.218346 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: TIME 14807.2 LOAD: AVG 0.118217 MAX 0.218346 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.332 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14807.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14807.2 PRESSURE: 4920400 -262.637 -62.375 -132.971 -62.3742 -15.5443 -89.5206 -132.971 -89.5178 -49.6883 GPRESSURE: 4920400 -196.449 -85.8837 -125.002 17.5799 33.7744 -96.408 -123.407 -95.0679 -64.5037 PRESSAVG: 4920400 -22.8639 -3.49828 -33.6246 -3.49822 73.3515 -9.57143 -33.6246 -9.57147 -50.1288 GPRESSAVG: 4920400 -23.2678 -3.34651 -31.1528 -3.33709 73.3365 -11.4482 -36.3208 -7.92536 -49.7181 TIMING: 4920400 CPU: 14804, 0.00313829/step Wall: 14804, 0.00313829/step, 0.0693911 hours remaining, 207.167969 MB of memory in use. ENERGY: 4920400 758.5248 2070.9429 1931.6611 105.1361 -206023.4491 17703.6725 0.0000 0.0000 34275.1185 -149178.3933 299.3331 -183453.5118 -149078.9324 300.7792 -109.2898 -75.7260 556961.1038 0.1196 0.1169 PRESSURE: 4920600 -1.52063 14.0612 50.2885 14.0604 38.3774 111.149 50.289 111.149 -190.081 GPRESSURE: 4920600 -6.51861 -82.8314 79.6255 148.001 47.6246 103.372 -14.032 79.8163 -101.594 PRESSAVG: 4920600 45.5713 -45.241 -33.4268 -45.241 0.638731 29.644 -33.4267 29.6439 -28.1076 GPRESSAVG: 4920600 45.2851 -46.9881 -33.6702 -42.8507 1.55685 30.3646 -32.0188 27.1969 -28.4795 TIMING: 4920600 CPU: 14804.7, 0.00306417/step Wall: 14804.7, 0.00306417/step, 0.067582 hours remaining, 207.167969 MB of memory in use. ENERGY: 4920600 743.2560 2058.4574 1941.7569 104.8035 -206577.8498 18031.9795 0.0000 0.0000 34476.7947 -149220.8017 301.0944 -183697.5964 -149121.7306 299.2498 -51.0749 -20.1625 559067.5169 6.0342 6.1208 PRESSURE: 4920800 48.4827 50.8659 -160.955 50.8654 -221.03 -46.8859 -160.957 -46.8853 -129.078 GPRESSURE: 4920800 54.9931 32.5804 -77.4061 61.3954 -161.694 -8.22004 -229.238 -16.8868 -92.8373 PRESSAVG: 4920800 -2.4345 21.8538 8.71667 21.8539 -27.064 25.654 8.71673 25.6539 23.106 GPRESSAVG: 4920800 -0.999579 20.5424 7.04999 21.8886 -29.3513 26.0155 9.95085 26.2708 23.731 TIMING: 4920800 CPU: 14805.3, 0.00305061/step Wall: 14805.3, 0.00305061/step, 0.0671133 hours remaining, 207.167969 MB of memory in use. ENERGY: 4920800 786.2901 2029.4301 1943.4689 126.1138 -206207.2775 17832.6962 0.0000 0.0000 34436.7425 -149052.5359 300.7446 -183489.2784 -148961.9545 299.1785 -100.5418 -66.5127 560283.8128 -2.1309 -2.2066 PRESSURE: 4921000 -316.22 -7.05478 62.1824 -7.05502 -334.175 147.567 62.1833 147.565 -204.075 GPRESSURE: 4921000 -253.505 -37.3109 -81.1666 -76.4504 -319.827 195.12 153.422 47.9505 -194.392 PRESSAVG: 4921000 68.0813 7.46388 33.7313 7.46394 -12.189 18.0647 33.7315 18.0647 -82.0511 GPRESSAVG: 4921000 65.2497 8.66633 34.7387 5.60569 -10.7647 17.6821 32.2467 20.2502 -80.7587 TIMING: 4921000 CPU: 14805.9, 0.00306055/step Wall: 14805.9, 0.00306055/step, 0.0671621 hours remaining, 207.167969 MB of memory in use. ENERGY: 4921000 759.3475 2057.8775 1964.4631 99.7675 -205260.5692 17238.1101 0.0000 0.0000 34278.4719 -148862.5316 299.3624 -183141.0036 -148759.2300 300.1905 -284.8236 -255.9079 559336.9217 -8.7196 -8.7579 PRESSURE: 4921200 -237.494 -42.5561 -162.102 -42.5559 -127.58 -55.3649 -162.102 -55.3647 -181.87 GPRESSURE: 4921200 -189.648 74.5448 -196.204 -104.596 -88.9561 -151.018 -161.008 -15.8078 -163.085 PRESSAVG: 4921200 -7.90358 19.3346 -6.9539 19.3346 -3.22306 -8.16262 -6.95377 -8.1627 6.92057 GPRESSAVG: 4921200 -5.73677 21.532 -7.98675 19.2992 -3.87566 -8.25541 -5.7433 -10.6511 5.12183 TIMING: 4921200 CPU: 14806.5, 0.00305695/step Wall: 14806.5, 0.00305695/step, 0.0669133 hours remaining, 207.167969 MB of memory in use. ENERGY: 4921200 755.3843 2054.9753 1959.8918 120.4886 -205469.9837 17471.6492 0.0000 0.0000 34310.3501 -148797.2445 299.6408 -183107.5946 -148705.0565 300.4516 -182.3148 -147.2298 558454.5820 -1.4020 -1.4969 PRESSURE: 4921400 8.12655 -36.2966 24.4946 -36.297 -109.43 -32.4374 24.4949 -32.4375 124.712 GPRESSURE: 4921400 45.2178 52.9673 -16.5674 -176.844 -82.7572 24.1001 19.5521 -77.5263 156.443 PRESSAVG: 4921400 -46.642 1.12095 8.32673 1.1209 -1.39132 1.2304 8.3267 1.2304 19.7972 GPRESSAVG: 4921400 -47.3225 -0.428239 7.39814 1.27517 -0.434998 4.50269 8.29134 0.667008 19.506 TIMING: 4921400 CPU: 14807.1, 0.00302348/step Wall: 14807.1, 0.00302348/step, 0.0660126 hours remaining, 207.167969 MB of memory in use. ENERGY: 4921400 774.5505 2116.1344 1933.1304 127.1850 -205759.1068 17786.6285 0.0000 0.0000 34252.6695 -148768.8084 299.1371 -183021.4779 -148671.8024 300.6244 7.8030 39.6346 559614.3005 -9.4120 -9.4172 PRESSURE: 4921600 -150.038 31.6677 -41.2269 31.6687 -125.53 -5.709 -41.2281 -5.70737 -17.7258 GPRESSURE: 4921600 -80.2296 46.8253 -91.5868 34.6589 -98.1762 46.2185 -97.1114 -32.2567 -20.3788 PRESSAVG: 4921600 -28.7575 25.9247 33.3096 25.9247 -13.3227 -18.7997 33.3096 -18.7996 53.9898 GPRESSAVG: 4921600 -29.5858 25.9881 34.3932 26.6969 -13.5442 -19.4906 31.8272 -18.0208 54.952 TIMING: 4921600 CPU: 14807.7, 0.00302952/step Wall: 14807.7, 0.00302952/step, 0.0659762 hours remaining, 207.167969 MB of memory in use. ENERGY: 4921600 772.8156 2080.1476 1955.3943 106.5213 -205670.0818 17679.5731 0.0000 0.0000 34270.7878 -148804.8421 299.2953 -183075.6299 -148694.8858 300.5548 -97.7649 -66.2615 559388.6832 3.9699 3.9406 PRESSURE: 4921800 -4.84761 95.7001 215.812 95.7003 8.20861 -0.370109 215.811 -0.368215 292.38 GPRESSURE: 4921800 58.0914 184.825 100.056 -5.18985 40.434 -132.567 287.806 81.0116 308.134 PRESSAVG: 4921800 -60.5026 -25.7658 26.104 -25.7657 46.6038 18.2018 26.1041 18.2017 46.164 GPRESSAVG: 4921800 -60.0454 -26.3818 27.6649 -25.0849 46.3909 17.3164 28.0159 19.7969 46.0652 TIMING: 4921800 CPU: 14808.3, 0.00305182/step Wall: 14808.3, 0.00305182/step, 0.0662923 hours remaining, 207.167969 MB of memory in use. ENERGY: 4921800 752.2653 2090.4676 1964.6549 117.4654 -206131.6535 18039.3736 0.0000 0.0000 34191.0900 -148976.3367 298.5993 -183167.4267 -148881.4828 300.5927 98.5804 135.5533 557342.0039 10.7551 10.8036 PRESSURE: 4922000 239.433 76.3745 179.596 76.3745 20.8863 60.2217 179.595 60.2212 -42.4491 GPRESSURE: 4922000 283.284 126.98 152.285 76.4394 13.6711 102.198 176.952 6.72683 22.384 PRESSAVG: 4922000 -10.3888 -10.3163 18.7173 -10.3162 -20.0842 -33.6775 18.7173 -33.6774 13.2121 GPRESSAVG: 4922000 -10.1704 -9.05927 16.2795 -11.5874 -20.0096 -33.6986 21.3045 -34.2672 12.6193 TIMING: 4922000 CPU: 14808.9, 0.00301444/step Wall: 14808.9, 0.00301444/step, 0.0653128 hours remaining, 207.167969 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: 4922000 720.4870 2096.2483 1943.8001 120.6803 -206218.6723 17929.7031 0.0000 0.0000 34331.2831 -149076.4705 299.8236 -183407.7536 -148974.1427 299.7081 72.6234 106.4462 558541.5135 -5.7536 -5.8536 PRESSURE: 4922200 178.306 -8.02738 35.1357 -8.02812 95.8448 67.2603 35.1354 67.261 -81.3913 GPRESSURE: 4922200 214.555 -13.7468 -12.7821 -103.683 136.205 82.1378 27.4095 -27.468 -73.8011 PRESSAVG: 4922200 79.283 -16.1187 -11.7911 -16.1186 -28.447 -44.3047 -11.791 -44.3048 -23.5403 GPRESSAVG: 4922200 78.9104 -17.5378 -11.2803 -16.4613 -27.8385 -43.2147 -13.9458 -44.341 -24.4486 TIMING: 4922200 CPU: 14809.5, 0.00303622/step Wall: 14809.5, 0.00303622/step, 0.0656161 hours remaining, 207.167969 MB of memory in use. ENERGY: 4922200 736.3224 2076.8957 1929.6247 118.9808 -206329.7665 17956.0882 0.0000 0.0000 34468.0833 -149043.7714 301.0183 -183511.8547 -148941.3904 299.3219 64.2532 92.3193 558217.2501 9.0986 8.8744 PRESSURE: 4922400 -223.941 61.2709 -56.1657 61.2717 -303.601 52.2723 -56.1654 52.2723 -119.817 GPRESSURE: 4922400 -156.627 109.286 6.29265 63.3323 -326.492 102.752 -51.3612 2.30374 -71.3741 PRESSAVG: 4922400 -64.7117 -98.3008 -18.6583 -98.3008 45.5422 -13.1445 -18.6584 -13.1446 -24.1154 GPRESSAVG: 4922400 -64.5119 -98.2576 -16.95 -94.9969 45.2362 -15.861 -21.5788 -12.9122 -24.2238 TIMING: 4922400 CPU: 14810.1, 0.00307087/step Wall: 14810.1, 0.00307087/step, 0.0661943 hours remaining, 207.167969 MB of memory in use. ENERGY: 4922400 759.1119 2096.0910 1940.9126 109.6179 -205826.6087 17598.5518 0.0000 0.0000 34218.7220 -149103.6014 298.8406 -183322.3234 -149012.0134 299.1055 -215.7863 -184.8309 559292.3363 -14.4283 -14.4998 PRESSURE: 4922600 -275.528 74.7347 -169.242 74.7339 85.0893 31.7062 -169.242 31.707 305.206 GPRESSURE: 4922600 -244.249 72.0153 -78.003 129.18 144.169 15.4454 -67.8381 32.5127 304.193 PRESSAVG: 4922600 3.44037 -51.8974 -11.9473 -51.8973 -29.3889 18.8981 -11.9473 18.898 53.6832 GPRESSAVG: 4922600 2.77461 -50.5681 -12.9331 -53.7821 -29.9044 20.1088 -10.1087 18.7641 54.8154 TIMING: 4922600 CPU: 14810.8, 0.00305466/step Wall: 14810.8, 0.00305466/step, 0.0656752 hours remaining, 207.167969 MB of memory in use. ENERGY: 4922600 725.0139 2105.9947 1911.2837 108.5653 -206173.8242 17795.7771 0.0000 0.0000 34255.9554 -149271.2341 299.1658 -183527.1895 -149171.1405 299.7138 38.2556 68.0376 557630.0905 9.2449 9.2285 PRESSURE: 4922800 -153.795 81.8274 51.0765 81.8272 108.682 16.6016 51.0757 16.6022 152.82 GPRESSURE: 4922800 -107.66 78.6913 -22.5414 103.533 164.136 68.2206 37.2736 22.894 149.331 PRESSAVG: 4922800 -66.5557 -19.3328 11.2065 -19.3329 -0.0100634 -11.1529 11.2066 -11.1529 54.1643 GPRESSAVG: 4922800 -66.1948 -19.5249 9.11819 -20.3552 0.346098 -9.93581 14.2408 -13.0618 53.5286 TIMING: 4922800 CPU: 14811.4, 0.00306123/step Wall: 14811.4, 0.00306123/step, 0.0656463 hours remaining, 207.167969 MB of memory in use. ENERGY: 4922800 777.0385 2108.1144 1911.4403 107.4295 -205917.6327 17786.7838 0.0000 0.0000 34066.7888 -149160.0375 297.5137 -183226.8263 -149062.6732 299.4694 35.9024 68.6024 556969.6069 -4.1338 -4.1067 PRESSURE: 4923000 -226.54 19.1176 -26.0417 19.1186 -60.7021 65.0755 -26.0406 65.0763 -186.997 GPRESSURE: 4923000 -245.996 -37.0828 75.5804 -14.7995 -14.9927 105.21 -76.8654 56.3244 -121.954 PRESSAVG: 4923000 56.9599 -20.101 26.5792 -20.101 -16.6567 -7.98477 26.5792 -7.98481 -5.62367 GPRESSAVG: 4923000 55.6472 -21.7808 27.9027 -18.9138 -16.6912 -8.14634 24.9644 -9.08494 -4.47662 TIMING: 4923000 CPU: 14812, 0.00306474/step Wall: 14812, 0.00306474/step, 0.0655513 hours remaining, 207.167969 MB of memory in use. ENERGY: 4923000 716.5909 2103.1844 1941.1203 107.2257 -205797.4088 17621.3764 0.0000 0.0000 34225.0363 -149082.8748 298.8958 -183307.9111 -148989.8200 299.7185 -158.0794 -127.6477 559327.1691 11.5598 11.4931 PRESSURE: 4923200 92.3189 30.2354 77.5579 30.2359 -100.541 5.9386 77.558 5.93927 -191.839 GPRESSURE: 4923200 98.2323 44.8683 48.6238 38.2642 -83.9867 44.0914 63.7913 -15.9126 -106.405 PRESSAVG: 4923200 7.50136 6.09234 -17.3674 6.09236 -2.17819 64.6785 -17.3675 64.6786 54.1173 GPRESSAVG: 4923200 9.53976 7.70931 -17.3731 3.75843 -2.77004 62.8339 -17.1296 66.1344 52.6687 TIMING: 4923200 CPU: 14812.6, 0.0030503/step Wall: 14812.6, 0.0030503/step, 0.0650731 hours remaining, 207.167969 MB of memory in use. ENERGY: 4923200 731.3637 2136.2783 1933.3506 121.1644 -205915.5080 17679.7816 0.0000 0.0000 34361.1952 -148952.3742 300.0849 -183313.5695 -148857.8508 299.7364 -66.6870 -30.7198 557807.2334 19.8135 19.8128 PRESSURE: 4923400 315.893 -66.4358 -123.112 -66.4362 312.269 148.684 -123.112 148.684 -196.851 GPRESSURE: 4923400 308.927 -80.8779 -102.116 -76.5241 332.171 75.9296 -140.202 48.0841 -119.325 PRESSAVG: 4923400 42.3279 -4.56754 -0.613474 -4.56757 19.0713 13.4025 -0.613527 13.4026 -65.2254 GPRESSAVG: 4923400 41.7069 -4.02821 -1.08888 -4.69869 18.1109 14.2985 -1.78501 13.751 -63.9961 TIMING: 4923400 CPU: 14813.2, 0.00305379/step Wall: 14813.2, 0.00305379/step, 0.0649778 hours remaining, 207.167969 MB of memory in use. ENERGY: 4923400 708.0316 2160.6834 1958.2802 118.4059 -206253.1140 17881.2486 0.0000 0.0000 34512.7358 -148913.7286 301.4083 -183426.4644 -148815.1556 300.1632 143.7705 173.9244 556999.9447 -1.2754 -1.3928 PRESSURE: 4923600 -120.717 155.377 -81.8547 155.377 359.871 -136.977 -81.855 -136.977 63.6679 GPRESSURE: 4923600 -86.0625 115.786 -121.243 131.574 343.137 -116.597 -51.6755 -82.877 140.972 PRESSAVG: 4923600 -46.8781 -51.6959 -18.9037 -51.6959 52.8641 20.7778 -18.9036 20.7779 45.2312 GPRESSAVG: 4923600 -47.377 -51.5906 -18.595 -51.1635 53.8188 21.483 -16.7252 20.6054 44.646 TIMING: 4923600 CPU: 14813.8, 0.00306025/step Wall: 14813.8, 0.00306025/step, 0.0649454 hours remaining, 207.167969 MB of memory in use. ENERGY: 4923600 726.6488 2106.1471 1939.4174 108.8524 -205941.5137 17883.9212 0.0000 0.0000 34221.7872 -148954.7397 298.8674 -183176.5270 -148863.3293 300.5236 100.9404 132.6821 557998.8553 17.0724 17.0293 PRESSURE: 4923800 65.1148 -5.83381 -19.3588 -5.83473 -257.971 48.8325 -19.3585 48.8319 248.26 GPRESSURE: 4923800 81.1503 -1.22909 30.3044 -66.5688 -227.611 97.5232 -117 123.657 295.281 PRESSAVG: 4923800 45.0191 -5.9463 -5.61937 -5.94632 -7.46946 4.69704 -5.61942 4.697 -18.4549 GPRESSAVG: 4923800 46.1503 -6.40503 -5.99399 -5.97624 -7.92395 3.58682 -6.69984 5.92239 -18.6207 TIMING: 4923800 CPU: 14814.4, 0.00308782/step Wall: 14814.4, 0.00308782/step, 0.0653589 hours remaining, 207.167969 MB of memory in use. ENERGY: 4923800 740.1162 2073.1928 1927.5116 97.8550 -206120.2008 18023.5248 0.0000 0.0000 34363.5469 -148894.4535 300.1054 -183258.0004 -148793.0885 299.8295 18.4678 49.6067 559159.7399 6.3649 6.5352 PRESSURE: 4924000 26.1406 -180.782 175.028 -180.782 -171.652 -63.9797 175.027 -63.9801 -108.851 GPRESSURE: 4924000 62.0977 -97.4516 210.383 -222.718 -79.9403 -72.3902 165.017 -41.9659 -128.016 PRESSAVG: 4924000 37.6902 13.5122 34.577 13.5121 -33.7588 -33.2336 34.577 -33.2337 22.7162 GPRESSAVG: 4924000 36.8127 12.881 37.5601 14.6425 -32.3227 -32.5396 33.0383 -33.5579 22.1857 TIMING: 4924000 CPU: 14815, 0.00304177/step Wall: 14815, 0.00304177/step, 0.0642151 hours remaining, 207.167969 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: 4924000 755.2490 2078.7478 1929.5051 122.9663 -205941.9716 17684.6971 0.0000 0.0000 34476.2858 -148894.5204 301.0900 -183370.8061 -148794.0253 300.8724 -84.7873 -48.6196 557498.9326 8.8825 8.8919 PRESSURE: 4924200 -20.0789 1.42354 119.248 1.42437 -244.868 144.597 119.249 144.597 3.89893 GPRESSURE: 4924200 -27.8991 24.9689 65.7991 57.4805 -217.315 183.422 121.753 109.702 82.387 PRESSAVG: 4924200 4.89838 -20.9782 -0.106563 -20.9782 -50.1508 12.3114 -0.106642 12.3114 58.2199 GPRESSAVG: 4924200 4.96227 -20.8327 -1.13098 -21.9503 -51.7303 10.9208 -0.530616 11.778 59.2655 TIMING: 4924200 CPU: 14815.6, 0.00303757/step Wall: 14815.6, 0.00303757/step, 0.0639578 hours remaining, 207.167969 MB of memory in use. ENERGY: 4924200 730.8773 2084.2846 1946.8585 95.4979 -205636.5389 17603.3735 0.0000 0.0000 34198.3583 -148977.2890 298.6628 -183175.6472 -148878.9722 299.8376 -87.0159 -54.2757 558469.9430 4.3225 4.1658 LDB: ============= START OF LOAD BALANCING ============== 14819.1 LDB: ============== END OF LOAD BALANCING =============== 14819.1 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14819.1 LDB: ============= START OF LOAD BALANCING ============== 14819.4 LDB: Largest compute 4820 load 0.030136 is 25.5% of average load 0.118188 LDB: Average compute 0.001727 is 1.5% of average load 0.118188 LDB: TIME 14819.4 LOAD: AVG 0.118188 MAX 0.217189 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.996 MB LDB: TIME 14819.4 LOAD: AVG 0.118188 MAX 0.217189 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.059 MB LDB: TIME 14819.4 LOAD: AVG 0.118188 MAX 0.217189 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 210.059 MB LDB: ============== END OF LOAD BALANCING =============== 14819.4 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14819.4 PRESSURE: 4924400 -313.291 -54.5012 31.2143 -54.5012 -417.137 -55.9333 31.2136 -55.9324 -232.268 GPRESSURE: 4924400 -282.831 -58.7909 50.4606 3.65046 -289.583 -36.5775 67.5645 -44.1183 -297.987 PRESSAVG: 4924400 -24.5593 -5.238 -10.4505 -5.23799 -21.4226 6.50345 -10.4504 6.50332 64.3863 GPRESSAVG: 4924400 -24.7178 -5.76133 -11.1019 -6.18075 -19.4565 8.41244 -10.0872 5.42032 63.02 TIMING: 4924400 CPU: 14816.3, 0.00312722/step Wall: 14816.3, 0.00312722/step, 0.0656716 hours remaining, 209.125000 MB of memory in use. ENERGY: 4924400 794.4524 2109.4269 1925.4349 112.9392 -205434.8302 17474.2560 0.0000 0.0000 34210.6835 -148807.6373 298.7704 -183018.3208 -148706.0879 300.5872 -320.8989 -290.1334 560183.8297 6.1348 6.2819 PRESSURE: 4924600 166.023 -42.8405 -27.8379 -42.8407 -153.967 -106.851 -27.838 -106.85 60.3284 GPRESSURE: 4924600 213.762 -88.0844 7.16988 -46.5283 -107.258 -103.186 -11.74 -30.404 55.3669 PRESSAVG: 4924600 -63.42 -3.28435 -21.2198 -3.2843 31.6572 2.6109 -21.2197 2.61086 15.6549 GPRESSAVG: 4924600 -63.2375 0.622467 -21.4041 -5.63421 30.2287 2.21413 -20.4167 1.94967 17.1455 TIMING: 4924600 CPU: 14816.9, 0.00306309/step Wall: 14816.9, 0.00306309/step, 0.0641547 hours remaining, 209.125000 MB of memory in use. ENERGY: 4924600 743.2294 2062.3356 1918.6517 110.3320 -205813.9327 17914.1956 0.0000 0.0000 34380.0794 -148685.1091 300.2498 -183065.1885 -148587.8357 300.2237 24.1282 53.9571 558734.1603 -5.3693 -5.2878 PRESSURE: 4924800 -273.481 22.9787 34.1615 22.9793 29.4315 -39.8089 34.1612 -39.8085 -109.857 GPRESSURE: 4924800 -241.397 -37.0098 70.3545 19.6456 98.9731 -139.139 -35.1049 -36.9992 -98.6157 PRESSAVG: 4924800 8.86825 -18.8341 23.7677 -18.8341 -17.9654 1.23278 23.7677 1.23271 17.3741 GPRESSAVG: 4924800 8.97315 -21.6095 25.6919 -17.0286 -17.0468 -0.453063 25.1859 1.69637 16.9358 TIMING: 4924800 CPU: 14817.5, 0.00302393/step Wall: 14817.5, 0.00302393/step, 0.0631666 hours remaining, 209.234375 MB of memory in use. ENERGY: 4924800 751.0818 2132.4095 1906.6172 128.6132 -205654.4189 17524.2522 0.0000 0.0000 34300.2803 -148911.1647 299.5529 -183211.4450 -148818.2652 300.7800 -117.9689 -80.3465 556679.5041 2.7590 2.9540 PRESSURE: 4925000 278.961 -72.4184 -31.4062 -72.4181 164.542 -75.1208 -31.4053 -75.1207 312.357 GPRESSURE: 4925000 330.201 -64.0848 -110.305 -49.5962 191.749 -76.01 -45.6679 -60.1041 317.696 PRESSAVG: 4925000 17.8246 -86.9922 24.5298 -86.9922 -16.744 0.629695 24.5298 0.629738 -0.697394 GPRESSAVG: 4925000 18.0285 -85.9783 23.8088 -87.5726 -16.4776 2.4135 22.1925 0.421641 -1.59828 TIMING: 4925000 CPU: 14818.1, 0.0030354/step Wall: 14818.1, 0.0030354/step, 0.0632375 hours remaining, 209.234375 MB of memory in use. ENERGY: 4925000 744.9664 2154.2548 1924.8718 132.9883 -206207.0563 17997.0199 0.0000 0.0000 34231.5853 -149021.3699 298.9529 -183252.9552 -148924.0372 300.4392 251.9533 279.8820 556151.7066 0.1277 -0.0158 PRESSURE: 4925200 -193.988 128.929 66.8375 128.928 -337.769 31.9253 66.8385 31.9239 -60.9652 GPRESSURE: 4925200 -182.793 64.9902 82.6775 150.485 -313.24 83.733 25.2836 27.938 4.86412 PRESSAVG: 4925200 -55.4595 -23.5055 -9.25089 -23.5056 44.7811 -30.5149 -9.25084 -30.5149 -15.4802 GPRESSAVG: 4925200 -56.0506 -24.1556 -9.28523 -22.7815 44.3429 -32.7832 -7.24075 -30.0828 -14.5225 TIMING: 4925200 CPU: 14818.7, 0.00301801/step Wall: 14818.7, 0.00301801/step, 0.0627076 hours remaining, 209.234375 MB of memory in use. ENERGY: 4925200 791.3703 2133.1687 1933.7414 109.3000 -205633.2850 17436.3995 0.0000 0.0000 34260.0411 -148969.2640 299.2015 -183229.3051 -148874.0539 300.0981 -197.5739 -163.7233 557358.8768 -8.7195 -8.7434 PRESSURE: 4925400 -78.7944 -99.8202 -46.8086 -99.8212 110.507 101.225 -46.808 101.223 -214.504 GPRESSURE: 4925400 4.62039 -115.296 25.1645 -69.9401 67.6483 99.0164 -131.161 73.8172 -159.42 PRESSAVG: 4925400 -49.7387 -6.97129 -43.9588 -6.97132 -1.34568 1.7368 -43.9589 1.73677 49.5852 GPRESSAVG: 4925400 -48.749 -6.19502 -44.4623 -5.07321 -3.01271 2.16888 -44.9246 2.20546 49.9744 TIMING: 4925400 CPU: 14819.3, 0.00305258/step Wall: 14819.3, 0.00305257/step, 0.0632561 hours remaining, 209.234375 MB of memory in use. ENERGY: 4925400 746.3039 2103.5885 1928.3865 131.3936 -205999.0431 17630.7814 0.0000 0.0000 34410.1903 -149048.3988 300.5128 -183458.5892 -148947.0542 300.1710 -60.9305 -29.0503 557266.4883 -0.4997 -0.5958 PRESSURE: 4925600 -171.069 108.135 59.5632 108.137 -90.1833 30.6643 59.5626 30.6636 102.06 GPRESSURE: 4925600 -134.617 112.83 109.556 71.6749 -52.1654 108.349 -0.629742 120.44 112.272 PRESSAVG: 4925600 -33.3963 -2.31856 -1.89929 -2.31854 50.971 -4.29878 -1.89929 -4.29886 39.4334 GPRESSAVG: 4925600 -34.5594 -2.29992 -3.49015 -4.82168 52.8145 -5.49837 -0.896923 -3.8813 38.9234 TIMING: 4925600 CPU: 14819.9, 0.00302437/step Wall: 14819.9, 0.00302437/step, 0.0625036 hours remaining, 209.234375 MB of memory in use. ENERGY: 4925600 747.1720 2041.1013 1953.9895 116.2290 -205951.5389 17811.9884 0.0000 0.0000 34382.4645 -148898.5941 300.2706 -183281.0586 -148803.6521 299.9719 -53.0642 -24.8368 559480.9618 19.0027 19.0595 PRESSURE: 4925800 43.2597 -37.334 -54.4857 -37.3342 79.8084 -158.918 -54.4856 -158.919 -18.9831 GPRESSURE: 4925800 14.1089 -17.614 -31.1463 -70.1886 103.518 -155.306 -43.447 -167.039 79.9247 PRESSAVG: 4925800 -22.8274 -63.9978 15.5261 -63.9978 26.698 -32.8301 15.5261 -32.8301 37.1727 GPRESSAVG: 4925800 -22.8331 -64.9118 17.1339 -61.605 26.9334 -33.0441 12.9533 -32.0131 37.3377 TIMING: 4925800 CPU: 14820.5, 0.00300957/step Wall: 14820.5, 0.00300957/step, 0.0620307 hours remaining, 209.234375 MB of memory in use. ENERGY: 4925800 745.5092 2122.9083 1971.8531 109.1166 -205828.6842 17628.9030 0.0000 0.0000 34359.0331 -148891.3609 300.0660 -183250.3939 -148796.0953 300.5407 34.6950 65.8505 558384.9014 13.6811 13.8127 PRESSURE: 4926000 -233.577 33.1352 -99.9457 33.1349 -112.398 75.0227 -99.9472 75.0247 -104.065 GPRESSURE: 4926000 -221.563 91.3341 -42.98 -7.88104 -78.8773 28.83 -100.991 54.0197 -46.627 PRESSAVG: 4926000 -95.8708 27.3633 57.937 27.3634 3.95345 19.8002 57.9369 19.8003 91.4746 GPRESSAVG: 4926000 -94.8604 27.4009 58.191 25.1929 2.74566 19.5164 59.2681 20.2058 91.6556 TIMING: 4926000 CPU: 14821.1, 0.002995/step Wall: 14821.1, 0.002995/step, 0.061564 hours remaining, 209.234375 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: 4926000 767.8625 2057.2480 1932.8286 120.6162 -205897.6537 17610.1705 0.0000 0.0000 34323.3843 -149085.5435 299.7547 -183408.9279 -148987.5292 300.5683 -150.0133 -115.6892 559186.7457 -0.1476 -0.1530 PRESSURE: 4926200 -284.134 -46.8934 93.3033 -46.8938 -11.0752 -91.2529 93.3049 -91.2536 -289.96 GPRESSURE: 4926200 -229.15 30.1039 95.3414 12.4637 15.079 -10.2674 50.6436 -163.49 -279.99 PRESSAVG: 4926200 -1.44882 29.2143 -36.234 29.2144 23.6299 23.8324 -36.234 23.8324 17.4429 GPRESSAVG: 4926200 -2.61123 29.6943 -37.6574 30.6237 24.007 26.4891 -33.4436 21.942 18.4614 TIMING: 4926200 CPU: 14821.7, 0.00298482/step Wall: 14821.7, 0.00298482/step, 0.0611888 hours remaining, 209.234375 MB of memory in use. ENERGY: 4926200 760.2467 2083.6147 1939.4176 121.4272 -206079.3222 17715.1011 0.0000 0.0000 34312.9761 -149146.5388 299.6638 -183459.5148 -149043.3830 299.0058 -195.0566 -164.6872 558626.0600 13.2080 13.2857 PRESSURE: 4926400 -185.591 33.9757 -138.26 33.9755 -308.089 -152.213 -138.26 -152.214 122.941 GPRESSURE: 4926400 -103.054 -8.24424 -132.224 93.709 -294.442 -64.5813 -56.3147 -216.007 115.533 PRESSAVG: 4926400 42.1924 27.9773 23.4964 27.9773 -17.3384 -30.2912 23.4964 -30.2912 -30.1557 GPRESSAVG: 4926400 41.9653 28.8548 23.5993 26.8627 -16.9267 -32.7465 21.2877 -29.6823 -30.1919 TIMING: 4926400 CPU: 14822.3, 0.00299587/step Wall: 14822.3, 0.00299587/step, 0.061249 hours remaining, 209.234375 MB of memory in use. ENERGY: 4926400 747.5966 2134.2328 1937.2854 104.2437 -206057.7527 17639.9316 0.0000 0.0000 34255.1796 -149239.2831 299.1590 -183494.4628 -149145.7103 299.4478 -123.5797 -93.9875 558205.1377 -1.7672 -1.7178 PRESSURE: 4926600 198.939 36.0971 -89.3527 36.0972 -27.447 63.4291 -89.3535 63.428 -49.2216 GPRESSURE: 4926600 221.683 36.9625 -141.801 3.91036 16.0125 81.7076 -45.7294 113.408 -20.4639 PRESSAVG: 4926600 18.9787 -41.5243 -69.9791 -41.5244 0.343705 -69.3543 -69.979 -69.3542 -15.5374 GPRESSAVG: 4926600 18.6077 -41.8767 -68.8832 -40.715 0.899218 -65.4492 -70.2236 -69.6176 -15.9611 TIMING: 4926600 CPU: 14822.9, 0.00300873/step Wall: 14822.9, 0.00300873/step, 0.0613447 hours remaining, 209.234375 MB of memory in use. ENERGY: 4926600 783.9612 2046.3548 1950.9638 104.8028 -206173.1831 17761.8476 0.0000 0.0000 34291.6500 -149233.6029 299.4775 -183525.2529 -149139.9384 299.3314 40.7569 72.4107 556125.2502 1.2617 1.1820 PRESSURE: 4926800 -173.957 21.7445 -52.5692 21.7455 97.9436 3.89204 -52.5694 3.89276 -245.165 GPRESSURE: 4926800 -86.4414 59.918 -100.859 26.5977 57.261 -122.208 -24.234 57.6703 -204.087 PRESSAVG: 4926800 -14.923 70.8531 7.43639 70.8532 -3.13978 -29.5099 7.43646 -29.5099 -23.125 GPRESSAVG: 4926800 -13.5632 69.2469 6.90601 71.1505 -3.64668 -34.0977 8.65858 -28.1959 -23.434 TIMING: 4926800 CPU: 14823.5, 0.00302851/step Wall: 14823.5, 0.00302851/step, 0.0615796 hours remaining, 209.234375 MB of memory in use. ENERGY: 4926800 757.4850 2056.2823 1931.3919 121.3213 -206165.2011 17637.0230 0.0000 0.0000 34318.6271 -149343.0705 299.7131 -183661.6977 -149244.3135 299.1297 -107.0594 -77.7558 556775.5156 -13.7292 -13.5479 PRESSURE: 4927000 24.52 145.797 23.8625 145.796 -40.5247 118.218 23.8622 118.22 -220.517 GPRESSURE: 4927000 -9.41473 84.5913 109.549 92.7916 37.7003 64.7543 -64.4588 156.64 -169.288 PRESSAVG: 4927000 1.48578 -1.11433 8.62425 -1.11427 -61.5352 22.9035 8.62425 22.9035 22.5057 GPRESSAVG: 4927000 1.60072 -1.55783 10.0206 -0.17973 -61.8753 22.388 7.88531 22.6713 23.6084 TIMING: 4927000 CPU: 14824.1, 0.00303236/step Wall: 14824.1, 0.00303236/step, 0.0614894 hours remaining, 209.234375 MB of memory in use. ENERGY: 4927000 751.0643 2083.2001 1941.8189 115.3491 -206095.6910 17673.2963 0.0000 0.0000 34200.8120 -149330.1503 298.6842 -183530.9623 -149240.2433 298.5551 -78.8407 -47.0008 557687.8170 -12.5146 -12.2220 PRESSURE: 4927200 -123.882 93.4778 -103.241 93.4773 66.2871 37.2343 -103.24 37.2338 -75.4834 GPRESSURE: 4927200 -76.7978 77.3324 -38.589 92.9097 33.7276 61.0006 -72.2298 10.4033 -0.972153 PRESSAVG: 4927200 -60.2911 -73.4477 30.429 -73.4477 13.7007 12.9765 30.429 12.9764 56.9227 GPRESSAVG: 4927200 -59.5197 -72.697 27.6199 -72.0729 13.7387 14.6655 31.2484 14.0426 55.9286 TIMING: 4927200 CPU: 14824.7, 0.00300851/step Wall: 14824.7, 0.00300851/step, 0.0608387 hours remaining, 209.234375 MB of memory in use. ENERGY: 4927200 706.5540 2192.7072 1905.5864 113.1755 -206122.0215 17652.9225 0.0000 0.0000 34176.3292 -149374.7467 298.4704 -183551.0759 -149275.3976 297.6869 -44.3594 -14.6808 558666.3600 3.4441 3.3825 PRESSURE: 4927400 -250.738 -156.075 57.0603 -156.073 -41.5926 -0.00230498 57.0607 -0.00217604 -178.305 GPRESSURE: 4927400 -231.593 -154.679 -45.5031 -59.9716 5.50694 8.29834 66.088 35.6567 -151.084 PRESSAVG: 4927400 -5.14373 -2.90892 -26.1711 -2.90888 -56.6505 -43.7352 -26.1712 -43.7353 27.424 GPRESSAVG: 4927400 -4.90526 -2.53403 -24.6924 -3.65147 -55.815 -43.2399 -28.2882 -43.8693 26.6173 TIMING: 4927400 CPU: 14825.3, 0.0030319/step Wall: 14825.3, 0.0030319/step, 0.0611433 hours remaining, 209.234375 MB of memory in use. ENERGY: 4927400 757.9790 2078.7467 1966.1789 112.0105 -206068.3750 17655.8296 0.0000 0.0000 34134.8994 -149362.7310 298.1086 -183497.6303 -149268.0164 298.6401 -156.8783 -125.7232 557141.2511 -11.4568 -11.3676 PRESSURE: 4927600 -128.018 -60.8717 99.4089 -60.8713 48.9483 -145.498 99.4103 -145.497 -122.483 GPRESSURE: 4927600 -94.6708 -21.4426 92.0393 -112.157 125.467 -208.719 97.9059 -76.3107 -137.503 PRESSAVG: 4927600 24.5795 -58.213 5.84043 -58.2129 -19.1868 -24.8478 5.84037 -24.8479 22.305 GPRESSAVG: 4927600 23.9007 -56.5843 4.27144 -59.5567 -19.2123 -26.5871 5.96895 -25.1808 22.9823 TIMING: 4927600 CPU: 14825.9, 0.00303935/step Wall: 14825.9, 0.00303935/step, 0.0611248 hours remaining, 209.234375 MB of memory in use. ENERGY: 4927600 745.5785 2102.8524 1936.9912 119.0232 -206402.2216 17963.5819 0.0000 0.0000 34126.2009 -149407.9935 298.0326 -183534.1944 -149315.8383 299.1477 -67.1844 -35.5687 558601.9237 9.2326 9.2236 PRESSURE: 4927800 -130.339 -27.4273 175.542 -27.4262 -338.956 -84.5578 175.543 -84.5595 -136.719 GPRESSURE: 4927800 -84.1107 -67.2419 206.986 -55.9052 -328.039 -86.2555 107.938 -98.3455 -100.914 PRESSAVG: 4927800 90.071 -21.7664 -32.9291 -21.7665 -57.7127 -34.6096 -32.9291 -34.6095 36.678 GPRESSAVG: 4927800 89.5668 -24.867 -33.3703 -20.885 -57.392 -33.737 -30.0554 -34.4036 37.0293 TIMING: 4927800 CPU: 14826.5, 0.00301263/step Wall: 14826.5, 0.00301263/step, 0.06042 hours remaining, 209.234375 MB of memory in use. ENERGY: 4927800 736.7145 2137.2715 1942.1776 98.5421 -205981.1511 17484.8721 0.0000 0.0000 34181.1524 -149400.4210 298.5125 -183581.5733 -149304.4070 298.4264 -202.0044 -171.0214 558298.9006 23.0121 23.0680 PRESSURE: 4928000 -89.935 -36.6885 -16.7548 -36.6878 -182.661 -59.6807 -16.7554 -59.6808 -297.747 GPRESSURE: 4928000 -69.873 -57.6 -45.5291 -85.5239 -106.091 -82.8313 1.16366 -23.3464 -298.607 PRESSAVG: 4928000 -4.32974 -1.33831 1.23483 -1.33833 -54.6061 1.33899 1.23486 1.33906 19.5829 GPRESSAVG: 4928000 -4.0366 -0.0230478 2.92616 -2.88018 -54.8015 1.41408 -0.950588 0.875148 19.4594 TIMING: 4928000 CPU: 14827.1, 0.00303961/step Wall: 14827.1, 0.00303961/step, 0.0607922 hours remaining, 209.234375 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: 4928000 729.1498 2140.5717 1966.4556 104.7705 -206273.6168 17705.8570 0.0000 0.0000 34106.4012 -149520.4112 297.8597 -183626.8123 -149425.6134 298.3228 -190.1141 -158.1903 558608.5211 -13.1177 -13.1262 PRESSURE: 4928200 161.689 94.7485 -19.8599 94.7492 227.443 56.7965 -19.8607 56.7988 -36.0144 GPRESSURE: 4928200 240.862 124.014 2.55119 106.442 243.089 102.956 -11.7717 75.4289 -33.7932 PRESSAVG: 4928200 39.6664 16.2906 -15.5433 16.2908 -13.8102 -19.1433 -15.5434 -19.1432 -13.9205 GPRESSAVG: 4928200 39.6306 16.5047 -18.1341 17.1101 -15.6754 -17.8843 -13.6612 -20.4662 -12.4083 TIMING: 4928200 CPU: 14827.8, 0.00302194/step Wall: 14827.8, 0.00302194/step, 0.0602708 hours remaining, 209.234375 MB of memory in use. ENERGY: 4928200 772.6109 2105.7506 1910.2222 110.8765 -206713.4387 18007.8321 0.0000 0.0000 34113.7580 -149692.3883 297.9239 -183806.1464 -149594.5693 298.2992 117.7059 150.0526 556676.6039 3.9786 3.8490 LDB: ============= START OF LOAD BALANCING ============== 14831.2 LDB: ============== END OF LOAD BALANCING =============== 14831.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14831.2 LDB: ============= START OF LOAD BALANCING ============== 14831.5 LDB: Largest compute 4820 load 0.026398 is 22.3% of average load 0.118223 LDB: Average compute 0.001723 is 1.5% of average load 0.118223 LDB: TIME 14831.5 LOAD: AVG 0.118223 MAX 0.215463 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.719 MB LDB: TIME 14831.5 LOAD: AVG 0.118223 MAX 0.215463 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.719 MB LDB: TIME 14831.5 LOAD: AVG 0.118223 MAX 0.215463 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.719 MB LDB: ============== END OF LOAD BALANCING =============== 14831.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14831.5 PRESSURE: 4928400 -32.167 74.8277 28.7497 74.8275 -146.097 -70.0957 28.7492 -70.0945 -60.4929 GPRESSURE: 4928400 -5.98258 131.908 51.1216 60.4953 -98.9407 -43.8916 23.859 -97.3415 -39.0295 PRESSAVG: 4928400 -12.0478 44.1321 -31.2002 44.132 -24.0184 16.3635 -31.2003 16.3635 -2.44155 GPRESSAVG: 4928400 -12.1088 44.1422 -29.4333 44.5359 -23.0079 15.3011 -31.9906 16.7044 -3.81542 TIMING: 4928400 CPU: 14828.4, 0.00308619/step Wall: 14828.4, 0.00308619/step, 0.0613808 hours remaining, 207.718750 MB of memory in use. ENERGY: 4928400 772.0485 2173.3141 1938.9135 120.7047 -206498.7773 17817.3717 0.0000 0.0000 34063.8591 -149612.5657 297.4882 -183676.4248 -149512.1435 297.9149 -79.5856 -47.9843 558041.3732 -12.8359 -12.9774 PRESSURE: 4928600 20.4593 55.2211 62.6944 55.2213 -45.7949 -3.42614 62.6955 -3.42377 -35.2514 GPRESSURE: 4928600 97.4594 103.523 56.6706 90.3064 -84.2519 -43.6078 18.9883 22.8322 19.8632 PRESSAVG: 4928600 22.4769 -17.2311 26.1074 -17.2312 -9.87452 -8.10746 26.1074 -8.10738 20.7397 GPRESSAVG: 4928600 21.6159 -16.102 24.9513 -18.0565 -9.74142 -8.38713 25.3454 -8.13528 21.1069 TIMING: 4928600 CPU: 14829, 0.00306514/step Wall: 14829, 0.00306514/step, 0.0607919 hours remaining, 207.718750 MB of memory in use. ENERGY: 4928600 731.7817 2093.6053 1935.3017 113.8430 -206656.8013 17880.2607 0.0000 0.0000 34283.6471 -149618.3618 299.4076 -183902.0089 -149514.7229 298.5058 -20.1957 11.0236 557412.8510 11.1140 10.9938 PRESSURE: 4928800 -35.6873 119.932 102.825 119.934 -142.546 -32.3864 102.825 -32.3872 -114.639 GPRESSURE: 4928800 -35.7823 153.878 66.4474 96.03 -89.4234 14.5561 99.1347 8.30161 -73.5764 PRESSAVG: 4928800 -30.1708 66.4498 -21.5791 66.4497 -21.1284 -16.9793 -21.579 -16.9794 54.0752 GPRESSAVG: 4928800 -29.7218 64.7199 -21.0439 69.0626 -22.3283 -16.3464 -21.6608 -19.0516 54.8207 TIMING: 4928800 CPU: 14829.6, 0.00302266/step Wall: 14829.6, 0.00302266/step, 0.0597814 hours remaining, 207.718750 MB of memory in use. ENERGY: 4928800 734.8102 2128.6751 1929.0151 112.1314 -206373.8937 17703.3324 0.0000 0.0000 34114.1699 -149651.7596 297.9275 -183765.9295 -149556.8374 298.4567 -97.6243 -66.2607 557588.4077 0.9253 0.9235 PRESSURE: 4929000 -139.825 -15.2767 -79.9821 -15.2763 -218.974 -69.0529 -79.9822 -69.0516 155.889 GPRESSURE: 4929000 -115.629 47.1659 -69.8486 59.8986 -228.49 -36.4948 -68.1828 -62.2327 239.591 PRESSAVG: 4929000 3.92044 11.8973 -24.7744 11.8974 5.16237 -13.9401 -24.7744 -13.9402 -0.558436 GPRESSAVG: 4929000 3.65838 13.9874 -22.7317 7.63836 5.22186 -14.3592 -25.3882 -13.0836 -0.287939 TIMING: 4929000 CPU: 14830.2, 0.0030322/step Wall: 14830.2, 0.0030322/step, 0.0598017 hours remaining, 207.718750 MB of memory in use. ENERGY: 4929000 752.1293 2107.1851 1906.8177 123.2661 -206750.5292 17822.0979 0.0000 0.0000 34335.3332 -149703.6999 299.8590 -184039.0330 -149601.3137 298.6330 -67.6363 -34.8425 556959.5834 2.8415 2.8641 PRESSURE: 4929200 6.21982 -13.6802 96.3639 -13.6808 5.55935 -22.2456 96.3634 -22.2457 12.9757 GPRESSURE: 4929200 -18.148 -69.3917 90.1342 27.8148 79.1001 -57.2271 137.973 16.756 58.2253 PRESSAVG: 4929200 -28.1973 9.26056 16.8966 9.26063 39.3708 26.3495 16.8966 26.3496 -55.986 GPRESSAVG: 4929200 -28.0494 7.0904 15.7111 12.4128 39.6274 23.9682 19.3367 28.6122 -56.3085 TIMING: 4929200 CPU: 14830.8, 0.00304377/step Wall: 14830.8, 0.00304377/step, 0.0598609 hours remaining, 207.718750 MB of memory in use. ENERGY: 4929200 746.8116 2102.5375 1921.7369 115.2628 -206490.8490 17935.3370 0.0000 0.0000 34165.1798 -149503.9834 298.3730 -183669.1632 -149406.1087 297.8577 8.2516 39.7258 556693.3792 -14.9375 -14.9102 PRESSURE: 4929400 -174.093 -128.113 105.473 -128.114 -137.119 10.1962 105.473 10.1977 -431.188 GPRESSURE: 4929400 -79.1893 -76.7114 113.359 -180.395 -161.32 24.632 117.93 -38.87 -412.598 PRESSAVG: 4929400 -6.19952 -4.13724 38.115 -4.13718 -41.7907 -16.617 38.1149 -16.6171 8.05332 GPRESSAVG: 4929400 -5.9358 -2.59991 38.8533 -5.45528 -42.0166 -14.6918 38.0384 -17.3967 7.85026 TIMING: 4929400 CPU: 14831.4, 0.00302799/step Wall: 14831.4, 0.00302799/step, 0.0593822 hours remaining, 207.718750 MB of memory in use. ENERGY: 4929400 772.2283 2070.3802 1930.1859 106.8184 -205866.6188 17514.6968 0.0000 0.0000 34053.0579 -149419.2513 297.3938 -183472.3092 -149328.6147 298.2645 -247.4665 -217.7024 558667.2470 -13.3123 -13.3674 PRESSURE: 4929600 131.562 86.0605 -120.046 86.0606 131.584 4.78811 -120.046 4.7881 -199.623 GPRESSURE: 4929600 155.071 133.649 -122.67 41.5478 119.001 -38.136 -117.764 59.4384 -124.185 PRESSAVG: 4929600 78.3624 -23.6417 84.4723 -23.6417 -31.4266 -20.3047 84.4724 -20.3047 -52.671 GPRESSAVG: 4929600 77.3404 -24.8359 85.3265 -23.1353 -29.5849 -21.4399 81.4188 -21.5487 -53.3386 TIMING: 4929600 CPU: 14832, 0.00302516/step Wall: 14832, 0.00302516/step, 0.0591587 hours remaining, 207.718750 MB of memory in use. ENERGY: 4929600 727.9671 2081.3147 1946.0917 112.0191 -206316.7023 18040.9686 0.0000 0.0000 34081.6505 -149326.6906 297.6435 -183408.3411 -149221.6101 298.3210 21.1744 49.9625 558591.2623 -1.9117 -1.8610 PRESSURE: 4929800 -206.119 -226.28 -56.9771 -226.279 4.21985 -26.0598 -56.9776 -26.0599 -120.392 GPRESSURE: 4929800 -199.243 -188.168 -95.9773 -247.171 52.9164 107.331 -38.699 -39.6765 -89.5253 PRESSAVG: 4929800 -6.67845 -40.7204 -51.9916 -40.7206 -40.8906 -26.3309 -51.9915 -26.331 21.2355 GPRESSAVG: 4929800 -6.10314 -40.4609 -51.6707 -41.3248 -41.8249 -25.5253 -49.4633 -26.3714 21.5395 TIMING: 4929800 CPU: 14832.6, 0.00301597/step Wall: 14832.6, 0.00301597/step, 0.0588114 hours remaining, 207.718750 MB of memory in use. ENERGY: 4929800 726.8118 2113.9070 1920.7953 112.6552 -206153.1227 17694.3414 0.0000 0.0000 34408.4033 -149176.2088 300.4971 -183584.6121 -149079.6668 299.2214 -107.4304 -78.6174 558400.7470 -8.7778 -8.7962 PRESSURE: 4930000 -231.891 113.861 -76.7185 113.861 14.0046 64.7627 -76.7175 64.7632 -253.252 GPRESSURE: 4930000 -170.682 142.931 -41.4677 101.654 17.7525 158.571 -91.9194 -67.5 -215.391 PRESSAVG: 4930000 5.71762 5.36421 -25.7601 5.36421 -64.8394 20.7385 -25.7601 20.7385 20.3149 GPRESSAVG: 4930000 5.66732 4.72255 -27.9503 5.96268 -64.6931 19.8409 -26.552 22.6891 20.2937 TIMING: 4930000 CPU: 14833.2, 0.00302634/step Wall: 14833.2, 0.00302634/step, 0.0588454 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: 4930000 724.8258 2092.2444 1924.8900 110.0689 -206124.7422 17504.1076 0.0000 0.0000 34551.2205 -149217.3851 301.7444 -183768.6056 -149121.3344 299.4402 -157.0461 -122.7734 558510.8617 -12.9356 -12.9107 PRESSURE: 4930200 92.3204 -71.1205 -63.8986 -71.1204 249.139 -104.957 -63.899 -104.957 -69.6838 GPRESSURE: 4930200 71.1188 -33.6952 -129.551 -84.4927 267.221 -128.163 -50.601 -102.756 30.024 PRESSAVG: 4930200 6.89314 10.9359 20.1932 10.9359 -78.3073 56.2725 20.1932 56.2725 69.6014 GPRESSAVG: 4930200 6.18159 11.963 20.2141 10.6535 -77.7767 57.6302 18.2877 54.7847 69.7765 TIMING: 4930200 CPU: 14833.8, 0.00303798/step Wall: 14833.8, 0.00303798/step, 0.0589031 hours remaining, 207.718750 MB of memory in use. ENERGY: 4930200 760.8372 2075.1058 1907.2042 111.4809 -206505.9477 17998.7138 0.0000 0.0000 34225.1599 -149427.4459 298.8968 -183652.6058 -149334.2707 299.1470 90.5919 122.7879 557523.8286 -0.6043 -0.6062 PRESSURE: 4930400 -66.7701 162.336 -0.683963 162.337 333.475 172.753 -0.684102 172.754 112.361 GPRESSURE: 4930400 -28.4391 196.6 -52.0193 124.958 402.916 105.591 8.52919 161.282 102.562 PRESSAVG: 4930400 -43.6633 33.8778 -13.4471 33.8777 14.431 6.87072 -13.447 6.87081 41.7569 GPRESSAVG: 4930400 -43.1362 32.3788 -12.3997 34.4403 14.1939 5.88238 -13.0844 8.5489 41.3813 TIMING: 4930400 CPU: 14834.4, 0.00301616/step Wall: 14834.4, 0.00301616/step, 0.0583124 hours remaining, 207.718750 MB of memory in use. ENERGY: 4930400 759.9324 2121.7944 1927.2962 114.7054 -206578.1171 17986.8695 0.0000 0.0000 34062.5423 -149604.9769 297.4767 -183667.5192 -149510.4473 297.8134 126.3554 159.0131 556228.4253 4.1749 4.1463 PRESSURE: 4930600 -134.571 67.8815 40.222 67.8819 -174.892 -236.809 40.221 -236.809 -60.9286 GPRESSURE: 4930600 -64.4559 42.8722 42.8186 55.0843 -131.768 -116.414 6.25026 -218.226 -74.946 PRESSAVG: 4930600 -21.9295 -48.8663 9.22714 -48.8663 -12.1769 2.06488 9.22715 2.06493 37.1978 GPRESSAVG: 4930600 -20.9338 -47.9137 8.52927 -49.6033 -13.3505 2.20436 10.032 -0.687498 37.6723 TIMING: 4930600 CPU: 14835, 0.0030448/step Wall: 14835, 0.0030448/step, 0.058697 hours remaining, 207.718750 MB of memory in use. ENERGY: 4930600 753.4542 2102.8360 1909.4884 113.0328 -206212.1529 17611.0219 0.0000 0.0000 34148.7568 -149573.5628 298.2296 -183722.3196 -149479.5822 297.9172 -123.4636 -90.3899 557237.9514 1.0304 1.1293 PRESSURE: 4930800 380.392 33.3043 165.354 33.3051 -220.218 -179.772 165.354 -179.773 -92.9977 GPRESSURE: 4930800 358.722 87.196 264.198 10.1005 -159.738 -169.01 175.753 -181.972 -38.0965 PRESSAVG: 4930800 14.4166 31.2838 8.19603 31.2838 -30.9613 17.1237 8.19594 17.1237 16.819 GPRESSAVG: 4930800 13.3266 30.1969 8.37561 31.9041 -29.6659 16.8819 9.1265 18.2623 17.0525 TIMING: 4930800 CPU: 14835.7, 0.00305619/step Wall: 14835.7, 0.00305619/step, 0.0587467 hours remaining, 207.718750 MB of memory in use. ENERGY: 4930800 733.9093 2135.1114 1935.5549 109.1141 -206427.3728 17744.6591 0.0000 0.0000 34424.4505 -149344.5735 300.6373 -183769.0240 -149246.8883 299.3423 22.3922 53.6291 557329.0511 0.0914 0.2377 PRESSURE: 4931000 70.1742 -71.7411 17.3566 -71.7407 -215.715 -51.1899 17.3568 -51.1881 -31.4137 GPRESSURE: 4931000 40.3488 -88.1013 -22.3504 -65.3635 -125.658 -58.2175 34.8903 28.6328 2.77284 PRESSAVG: 4931000 41.2255 -6.39928 7.85298 -6.39924 -72.8212 -49.0995 7.8531 -49.0994 48.0546 GPRESSAVG: 4931000 41.8464 -4.8243 7.68409 -5.43841 -73.9819 -49.7726 5.51355 -48.9684 48.874 TIMING: 4931000 CPU: 14836.3, 0.00308411/step Wall: 14836.3, 0.00308411/step, 0.059112 hours remaining, 207.718750 MB of memory in use. ENERGY: 4931000 725.2889 2121.5708 1933.7248 104.8604 -206403.1412 17810.3253 0.0000 0.0000 34393.1410 -149314.2299 300.3639 -183707.3709 -149209.4221 299.1304 -58.9849 -27.5122 557385.0762 5.4863 5.5795 PRESSURE: 4931200 189.443 -9.13452 -10.4569 -9.13386 145.557 7.39822 -10.4568 7.3986 133.835 GPRESSURE: 4931200 233.726 -29.2311 -54.9323 25.3237 203.734 -21.117 -22.7493 15.1035 129.101 PRESSAVG: 4931200 46.5909 26.2684 1.99929 26.2684 -93.7096 -49.9138 1.99937 -49.9139 17.2783 GPRESSAVG: 4931200 46.3158 25.5086 2.86062 24.8976 -92.7946 -51.3777 3.43228 -49.4228 17.0338 TIMING: 4931200 CPU: 14836.9, 0.00304164/step Wall: 14836.9, 0.00304164/step, 0.0581291 hours remaining, 207.718750 MB of memory in use. ENERGY: 4931200 691.0695 2121.2191 1931.5868 122.3720 -206432.8865 18059.8938 0.0000 0.0000 34267.2068 -149239.5385 299.2640 -183506.7452 -149138.8028 298.2389 156.2786 188.8536 558567.5402 -9.9468 -9.8150 PRESSURE: 4931400 59.1979 48.0324 -133.899 48.0321 26.0425 21.3243 -133.897 21.3249 -329.287 GPRESSURE: 4931400 68.7183 62.154 -195.02 16.9265 60.7102 56.15 -90.7474 70.1178 -270.806 PRESSAVG: 4931400 24.3412 -7.55731 -4.22894 -7.55728 -28.6659 3.39872 -4.22885 3.39885 -4.0115 GPRESSAVG: 4931400 24.18 -7.85873 -5.21724 -7.06176 -29.9896 3.76042 -5.13998 5.3131 -2.67757 TIMING: 4931400 CPU: 14837.5, 0.0030581/step Wall: 14837.5, 0.0030581/step, 0.0582738 hours remaining, 207.718750 MB of memory in use. ENERGY: 4931400 770.7884 2166.3423 1946.9129 99.4295 -206323.7497 18050.5204 0.0000 0.0000 34232.1356 -149057.6207 298.9578 -183289.7563 -148955.1696 299.4719 -81.3490 -47.1257 558784.4038 -2.7787 -2.8291 PRESSURE: 4931600 -218.286 -21.9973 83.574 -21.9972 -216.909 -174.26 83.5723 -174.259 -3.8657 GPRESSURE: 4931600 -242.209 17.8606 148.922 -103.373 -189.921 -183.858 36.7341 -222.882 78.9179 PRESSAVG: 4931600 -20.318 -22.2829 5.16512 -22.2829 -31.5401 -8.49008 5.16506 -8.48998 70.9025 GPRESSAVG: 4931600 -20.0599 -23.4192 6.18287 -22.1319 -30.096 -7.37577 7.71047 -12.1899 69.2443 TIMING: 4931600 CPU: 14838.1, 0.00302157/step Wall: 14838.1, 0.00302157/step, 0.0574098 hours remaining, 207.718750 MB of memory in use. ENERGY: 4931600 749.3879 2113.9544 1947.4729 124.4359 -205934.5441 17639.4980 0.0000 0.0000 34382.9196 -148976.8754 300.2746 -183359.7950 -148887.0230 299.8222 -146.3537 -117.7374 559299.5143 6.3481 6.3628 PRESSURE: 4931800 -115.454 -84.5154 28.3239 -84.5157 -225.642 98.2899 28.3232 98.2898 -135.813 GPRESSURE: 4931800 -44.7587 -108.079 -38.8529 -35.9108 -251.514 163.242 63.061 34.9897 -73.9715 PRESSAVG: 4931800 -48.7496 16.9573 12.5317 16.9572 -32.3245 28.5158 12.5316 28.5158 48.0534 GPRESSAVG: 4931800 -48.181 19.051 12.398 15.6409 -34.7539 29.5117 9.96902 30.8401 49.5625 TIMING: 4931800 CPU: 14838.7, 0.00302103/step Wall: 14838.7, 0.00302103/step, 0.0572317 hours remaining, 207.718750 MB of memory in use. ENERGY: 4931800 783.5192 2088.8492 1951.5308 116.7745 -205738.0389 17535.5634 0.0000 0.0000 34182.4912 -149079.3106 298.5242 -183261.8019 -148982.2619 299.2874 -158.9697 -123.4147 557906.1068 -11.0069 -11.1242 PRESSURE: 4932000 -216.216 46.3418 -76.0486 46.342 145.577 -40.9066 -76.0498 -40.9087 -221.026 GPRESSURE: 4932000 -148.842 18.837 -88.7444 112.277 169.544 50.4469 -110.261 -31.4457 -223.11 PRESSAVG: 4932000 20.2892 14.8127 -26.0153 14.8128 -19.4412 15.9981 -26.0154 15.998 -36.1173 GPRESSAVG: 4932000 20.3377 12.7838 -23.708 16.9438 -17.959 16.2406 -27.1863 15.6284 -37.7133 TIMING: 4932000 CPU: 14839.3, 0.0030466/step Wall: 14839.3, 0.0030466/step, 0.0575468 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: 4932000 774.3960 2111.4060 1928.4556 121.4039 -205959.0822 17673.8425 0.0000 0.0000 34440.8164 -148908.7618 300.7802 -183349.5781 -148816.9351 299.9453 -97.2216 -67.4693 557130.1757 -11.7564 -11.7782 PRESSURE: 4932200 -348.458 -140.419 -11.9515 -140.42 30.0887 3.1291 -11.9512 3.1293 -50.6884 GPRESSURE: 4932200 -302.591 -130.926 -63.9395 -58.9929 60.8225 19.6939 -25.7289 -80.9697 -33.0426 PRESSAVG: 4932200 -16.6333 -22.5807 16.1635 -22.5807 11.2829 32.6121 16.1635 32.6119 3.27457 GPRESSAVG: 4932200 -17.5164 -19.5799 13.7425 -21.9595 11.3008 32.6347 18.8722 32.8155 4.2439 TIMING: 4932200 CPU: 14839.9, 0.00305148/step Wall: 14839.9, 0.00305148/step, 0.0574695 hours remaining, 207.718750 MB of memory in use. ENERGY: 4932200 732.7243 2046.1298 1978.5699 111.7592 -206171.7799 17667.1578 0.0000 0.0000 34547.2561 -149088.1828 301.7098 -183635.4389 -148993.1837 299.8894 -123.0191 -91.6037 557443.8655 -0.6919 -0.6572 LDB: ============= START OF LOAD BALANCING ============== 14843.4 LDB: ============== END OF LOAD BALANCING =============== 14843.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14843.4 LDB: ============= START OF LOAD BALANCING ============== 14843.7 LDB: Largest compute 4820 load 0.026467 is 22.4% of average load 0.118159 LDB: Average compute 0.001719 is 1.5% of average load 0.118159 LDB: TIME 14843.7 LOAD: AVG 0.118159 MAX 0.216625 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.719 MB LDB: TIME 14843.7 LOAD: AVG 0.118159 MAX 0.216625 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.719 MB LDB: TIME 14843.7 LOAD: AVG 0.118159 MAX 0.216625 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.719 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14843.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14843.7 PRESSURE: 4932400 219.088 -70.2695 6.64115 -70.2695 32.63 138.254 6.64045 138.252 -144.271 GPRESSURE: 4932400 250.779 -96.7302 31.2951 -14.0359 37.7629 125.188 -8.58476 127.923 -83.0169 PRESSAVG: 4932400 10.7218 -11.3941 5.88896 -11.3941 12.8538 11.6759 5.88896 11.6758 -17.8615 GPRESSAVG: 4932400 10.3631 -12.3227 6.80475 -12.1869 14.1306 10.2142 4.31813 11.0788 -18.6695 TIMING: 4932400 CPU: 14840.5, 0.00309854/step Wall: 14840.5, 0.00309854/step, 0.0581837 hours remaining, 208.488281 MB of memory in use. ENERGY: 4932400 774.1606 2030.0597 1952.4095 105.4249 -206106.6114 17830.1236 0.0000 0.0000 34405.1927 -149009.2404 300.4691 -183414.4332 -148909.2142 299.5448 35.8158 68.5083 556663.6228 1.9047 1.9414 PRESSURE: 4932600 0.621595 52.1405 -76.2373 52.1408 -70.932 -22.6059 -76.2359 -22.6049 -157.275 GPRESSURE: 4932600 36.2606 68.068 -47.5279 5.14127 -93.5423 -21.5147 -98.2184 12.2072 -69.7428 PRESSAVG: 4932600 19.4163 20.0939 32.3147 20.0938 -54.9528 -13.392 32.3146 -13.392 45.3737 GPRESSAVG: 4932600 20.0146 21.151 31.9834 18.8457 -56.2526 -14.4239 32.97 -12.0318 46.1904 TIMING: 4932600 CPU: 14841.2, 0.00306101/step Wall: 14841.2, 0.00306101/step, 0.057309 hours remaining, 208.691406 MB of memory in use. ENERGY: 4932600 745.2928 2102.2465 1917.4478 110.2406 -205796.1620 17628.4086 0.0000 0.0000 34048.5390 -149243.9867 297.3544 -183292.5257 -149150.5087 299.2660 -75.8619 -42.3415 558139.5646 3.2791 3.3175 PRESSURE: 4932800 -104.94 4.06745 35.9607 4.06775 38.7565 -73.0649 35.96 -73.0665 -23.47 GPRESSURE: 4932800 -113.598 -56.6996 67.5829 -3.80557 46.0071 -121.731 30.4828 -11.9732 83.8508 PRESSAVG: 4932800 0.524828 54.1823 1.3018 54.1823 26.8893 -35.8974 1.30183 -35.8975 -19.2077 GPRESSAVG: 4932800 -0.472579 53.2683 0.532455 54.6091 29.3218 -35.5616 1.76824 -37.1827 -20.4363 TIMING: 4932800 CPU: 14841.8, 0.00307239/step Wall: 14841.8, 0.00307239/step, 0.0573513 hours remaining, 208.691406 MB of memory in use. ENERGY: 4932800 733.5318 2088.8998 1938.8593 97.0462 -206226.8380 17866.7539 0.0000 0.0000 34137.5821 -149364.1650 298.1320 -183501.7471 -149268.9351 298.9460 -29.8843 5.4200 558635.3375 2.7355 2.8043 PRESSURE: 4933000 247.239 -48.6142 9.61248 -48.6133 97.263 29.3649 9.61239 29.3644 -3.89515 GPRESSURE: 4933000 312.336 -61.9969 65.3469 14.6781 76.3028 33.1258 -99.9039 22.2541 41.4635 PRESSAVG: 4933000 -0.28665 -11.8964 -18.8598 -11.8965 -8.78107 28.3452 -18.8598 28.3451 29.3412 GPRESSAVG: 4933000 0.0638837 -12.8595 -17.2381 -11.571 -10.4012 30.7298 -19.7413 28.2806 30.4442 TIMING: 4933000 CPU: 14842.4, 0.00306304/step Wall: 14842.4, 0.00306304/step, 0.0570067 hours remaining, 208.691406 MB of memory in use. ENERGY: 4933000 722.6236 2077.7023 1947.1121 112.7412 -206488.0685 18123.5367 0.0000 0.0000 34071.1035 -149433.2491 297.5514 -183504.3526 -149341.9702 298.5481 113.5358 143.3675 557944.4493 6.7578 6.7023 PRESSURE: 4933200 -181.146 -37.5928 -114.192 -37.5924 -29.6209 37.5517 -114.193 37.553 -24.1095 GPRESSURE: 4933200 -151.04 -13.3903 -49.5696 -93.1935 5.73381 116.505 -131.904 -48.4211 11.3862 PRESSAVG: 4933200 22.408 -21.0583 19.9795 -21.0583 -31.1143 -1.35905 19.9795 -1.35911 36.4359 GPRESSAVG: 4933200 22.6615 -20.6789 17.9869 -20.3975 -30.8443 -3.69859 21.4824 -1.00032 35.6794 TIMING: 4933200 CPU: 14843, 0.00306459/step Wall: 14843, 0.00306459/step, 0.0568651 hours remaining, 208.691406 MB of memory in use. ENERGY: 4933200 717.1685 2099.0266 1929.4566 108.9844 -205932.9888 17551.5436 0.0000 0.0000 34063.0005 -149463.8085 297.4807 -183526.8091 -149368.7591 298.9275 -78.2922 -44.6400 557705.2738 9.2432 9.1655 PRESSURE: 4933400 -160.775 49.6829 156.748 49.6823 -182.634 55.1762 156.748 55.1755 124.416 GPRESSURE: 4933400 -142.258 132.243 191.959 22.4077 -143.374 104.78 180.899 28.7629 165.819 PRESSAVG: 4933400 -32.3295 47.7429 30.7125 47.7428 -66.7939 -1.36498 30.7125 -1.36497 51.4233 GPRESSAVG: 4933400 -32.4109 48.205 32.8941 47.5475 -67.3999 -0.187248 31.2381 -1.16155 51.9193 TIMING: 4933400 CPU: 14843.6, 0.00306246/step Wall: 14843.6, 0.00306246/step, 0.0566555 hours remaining, 208.691406 MB of memory in use. ENERGY: 4933400 756.2399 2061.0238 1932.9763 112.8728 -206247.2990 17613.1527 0.0000 0.0000 34407.4042 -149363.6293 300.4884 -183771.0335 -149275.1003 298.9304 -72.9974 -39.9376 557250.7006 -15.9000 -15.9638 PRESSURE: 4933600 -103.377 144.569 217.553 144.568 -253.006 181.842 217.553 181.842 -74.2232 GPRESSURE: 4933600 -84.4825 88.4559 252.087 154.984 -220.049 175.386 76.7287 163.199 -35.9465 PRESSAVG: 4933600 -8.96619 14.3344 57.6582 14.3344 -43.2101 -53.8794 57.6582 -53.8794 44.3569 GPRESSAVG: 4933600 -8.90134 15.0969 57.4481 13.759 -43.1641 -52.8049 56.9419 -55.0345 44.1659 TIMING: 4933600 CPU: 14844.2, 0.00302619/step Wall: 14844.2, 0.00302619/step, 0.0558165 hours remaining, 208.691406 MB of memory in use. ENERGY: 4933600 765.2080 2098.1628 1969.3570 111.2301 -206064.4943 17668.6636 0.0000 0.0000 34392.8061 -149059.0667 300.3609 -183451.8728 -148955.7242 299.5547 -143.5354 -113.4925 557068.7361 -2.6065 -2.6332 PRESSURE: 4933800 -62.5311 -39.8338 91.4814 -39.8351 79.7424 101.287 91.4812 101.286 58.6435 GPRESSURE: 4933800 2.75777 -17.6334 76.6458 -26.8335 101.877 119.33 132.643 4.02533 62.2976 PRESSAVG: 4933800 29.064 30.5889 25.0114 30.5889 26.5081 9.59474 25.0114 9.5947 -58.609 GPRESSAVG: 4933800 29.4754 28.9281 24.2823 32.2039 26.3967 9.07435 25.0301 11.2436 -59.12 TIMING: 4933800 CPU: 14844.8, 0.00303614/step Wall: 14844.8, 0.00303614/step, 0.0558312 hours remaining, 208.691406 MB of memory in use. ENERGY: 4933800 764.5141 2129.7269 1940.1952 112.9595 -206188.1871 17949.3774 0.0000 0.0000 34232.3439 -149059.0701 298.9596 -183291.4140 -148961.8258 301.0140 25.2849 55.6440 556260.3084 -1.0123 -1.0827 PRESSURE: 4934000 -159.877 137.067 -217.534 137.066 -337.312 5.90142 -217.533 5.90134 -121.725 GPRESSURE: 4934000 -139.47 93.8549 -374.481 99.5711 -350.771 -34.8018 -216.79 -23.7088 -23.0597 PRESSAVG: 4934000 36.5873 10.6337 24.1038 10.6337 0.513096 -1.5953 24.1037 -1.59515 -59.2962 GPRESSAVG: 4934000 36.5711 10.3242 24.0868 10.6219 -0.491209 -2.07744 24.6727 -3.24869 -58.8304 TIMING: 4934000 CPU: 14845.4, 0.00303793/step Wall: 14845.4, 0.00303793/step, 0.0556955 hours remaining, 208.691406 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: 4934000 767.4663 2144.3223 1934.1782 103.0763 -205898.8419 17629.5123 0.0000 0.0000 34390.3063 -148929.9803 300.3391 -183320.2866 -148833.8893 300.1759 -206.3046 -171.1003 558577.3956 -7.3986 -7.5835 PRESSURE: 4934200 -362.478 -63.2465 1.74607 -63.2478 -86.1253 103.673 1.74668 103.673 -24.3787 GPRESSURE: 4934200 -341.369 48.3138 -81.0356 -81.9664 -75.5766 80.4468 -2.85301 182.412 25.7047 PRESSAVG: 4934200 61.0967 12.7236 -23.4082 12.7236 -37.6295 -8.79752 -23.4083 -8.79746 21.2137 GPRESSAVG: 4934200 61.538 14.3992 -22.2861 11.1914 -36.9312 -9.1429 -23.1135 -8.44287 20.5507 TIMING: 4934200 CPU: 14846, 0.00302741/step Wall: 14846, 0.00302741/step, 0.0553343 hours remaining, 208.691406 MB of memory in use. ENERGY: 4934200 748.8662 2109.0973 1952.1554 108.5504 -205832.2117 17607.2964 0.0000 0.0000 34411.5179 -148894.7281 300.5243 -183306.2460 -148805.9541 300.0654 -157.6607 -130.4136 559920.3682 14.8936 15.0525 PRESSURE: 4934400 -262.858 -17.5814 7.33424 -17.5818 -325.89 1.21581 7.33385 1.21562 -248.511 GPRESSURE: 4934400 -220.941 138.225 21.0792 -12.5761 -285.398 73.8513 28.5895 -7.66563 -234.33 PRESSAVG: 4934400 18.6488 5.48897 18.5403 5.48894 -15.0034 -6.77519 18.5402 -6.7753 7.59701 GPRESSAVG: 4934400 18.1916 8.22955 16.8838 3.11419 -14.3443 -7.04681 19.0354 -6.53816 7.39987 TIMING: 4934400 CPU: 14846.6, 0.00301676/step Wall: 14846.6, 0.00301676/step, 0.0549721 hours remaining, 208.691406 MB of memory in use. ENERGY: 4934400 768.4902 2110.0414 1925.2023 110.6251 -205874.0842 17527.5133 0.0000 0.0000 34388.3659 -149043.8460 300.3222 -183432.2119 -148943.4521 300.1702 -279.0862 -246.8897 560120.4461 3.7475 3.7490 PRESSURE: 4934600 -72.6111 -0.311621 -39.7307 -0.313393 -186.745 -123.646 -39.7306 -123.646 -177.903 GPRESSURE: 4934600 -82.4305 -94.8601 -86.8972 139.324 -157.659 -182.801 -2.28769 -49.6491 -95.7668 PRESSAVG: 4934600 -50.1078 -41.8545 21.5023 -41.8545 -50.6648 -57.8705 21.5023 -57.8705 82.6844 GPRESSAVG: 4934600 -49.6211 -43.3292 21.6652 -40.2168 -51.4904 -57.9057 21.6902 -56.8177 83.433 TIMING: 4934600 CPU: 14847.2, 0.00303433/step Wall: 14847.2, 0.00303433/step, 0.0551236 hours remaining, 208.691406 MB of memory in use. ENERGY: 4934600 740.6525 2146.2356 1938.1955 104.3398 -206070.2819 17713.5590 0.0000 0.0000 34212.3844 -149214.9152 298.7853 -183427.2996 -149114.6591 299.5676 -145.7529 -111.9520 559298.8150 -6.0294 -5.8929 PRESSURE: 4934800 -233.466 125.209 -210.848 125.208 -58.4645 -14.879 -210.848 -14.8792 -307.915 GPRESSURE: 4934800 -205.859 173.221 -138.738 54.3634 -15.8289 -80.0149 -231.77 -0.325326 -282.162 PRESSAVG: 4934800 -32.6334 11.1576 2.95063 11.1576 -2.66242 -68.983 2.95073 -68.983 24.247 GPRESSAVG: 4934800 -33.8274 9.45841 3.45257 13.9555 -1.53203 -70.2195 3.59829 -68.1577 24.7146 TIMING: 4934800 CPU: 14847.8, 0.00304831/step Wall: 14847.8, 0.00304831/step, 0.0552083 hours remaining, 208.691406 MB of memory in use. ENERGY: 4934800 762.6407 2116.6101 1928.2522 111.5359 -205996.5147 17633.0994 0.0000 0.0000 34242.9662 -149201.4101 299.0523 -183444.3763 -149105.1464 298.7282 -199.9484 -167.9500 555902.8862 -3.6829 -3.5483 PRESSURE: 4935000 -157.656 229.126 -94.2256 229.127 -26.1188 74.4174 -94.2257 74.4177 -219.179 GPRESSURE: 4935000 -147.209 272.486 -119.23 143.259 11.2706 18.3167 -14.3509 140.369 -165.51 PRESSAVG: 4935000 28.0366 23.841 -0.677965 23.841 -2.08084 25.5059 -0.678023 25.5058 18.0507 GPRESSAVG: 4935000 28.3335 25.9361 -0.934555 19.9918 -2.90888 25.3264 -2.51025 23.7465 18.6899 TIMING: 4935000 CPU: 14848.5, 0.00305297/step Wall: 14848.5, 0.00305297/step, 0.0551231 hours remaining, 208.691406 MB of memory in use. ENERGY: 4935000 776.5264 2074.6551 1945.3356 112.9841 -206185.1352 17774.4122 0.0000 0.0000 34371.9071 -149129.3147 300.1784 -183501.2218 -149034.6479 299.5870 -134.3180 -100.4827 557015.7868 14.6688 14.7049 PRESSURE: 4935200 -17.7052 165.585 40.8639 165.586 -225.498 -3.09995 40.8652 -3.0987 280.452 GPRESSURE: 4935200 -4.63756 171.545 58.9279 123.972 -138.008 -31.2947 2.46062 15.1915 281.078 PRESSAVG: 4935200 5.50642 -5.79241 -39.9431 -5.79244 -52.4245 -12.6563 -39.9431 -12.6563 26.7669 GPRESSAVG: 4935200 5.62874 -7.10937 -39.7371 -3.65588 -52.0367 -12.6846 -39.3922 -13.0203 26.1806 TIMING: 4935200 CPU: 14849.1, 0.0030395/step Wall: 14849.1, 0.0030395/step, 0.0547109 hours remaining, 208.691406 MB of memory in use. ENERGY: 4935200 738.8089 2114.7414 1939.8016 104.8707 -206063.4368 17838.3708 0.0000 0.0000 34121.2905 -149205.5529 297.9897 -183326.8434 -149110.1723 299.9834 12.4162 46.1442 558044.2754 -6.7171 -6.7425 PRESSURE: 4935400 -147.055 -62.646 -129.374 -62.6465 -183.888 -79.7997 -129.375 -79.7996 -114.944 GPRESSURE: 4935400 -107.393 -20.3265 -161.768 -113.984 -145.938 -117.537 -44.0983 -73.1991 -100.471 PRESSAVG: 4935400 22.172 -38.7123 -4.09731 -38.7124 -41.0452 -20.8003 -4.09737 -20.8003 5.1155 GPRESSAVG: 4935400 21.6826 -38.2199 -3.54945 -39.8001 -39.8009 -18.3288 -4.16471 -18.3953 4.48361 TIMING: 4935400 CPU: 14849.7, 0.00306908/step Wall: 14849.7, 0.00306908/step, 0.055073 hours remaining, 208.691406 MB of memory in use. ENERGY: 4935400 712.7184 2087.7187 1946.2054 110.1588 -205809.5091 17501.0026 0.0000 0.0000 34170.6066 -149281.0986 298.4204 -183451.7052 -149180.5400 298.9368 -148.6288 -117.9339 557727.2115 -4.5859 -4.5449 PRESSURE: 4935600 -195.085 176.062 34.576 176.061 -14.4299 -91.7466 34.5769 -91.7477 -145.031 GPRESSURE: 4935600 -189.749 207.287 84.8402 180.152 37.6532 50.8885 17.418 -154.463 -101.879 PRESSAVG: 4935600 8.47109 -4.35675 9.68894 -4.35675 -28.355 -29.3536 9.68889 -29.3536 1.03051 GPRESSAVG: 4935600 6.81663 -3.52733 11.5441 -5.93245 -28.1921 -30.1745 7.31246 -30.8386 2.45829 TIMING: 4935600 CPU: 14850.3, 0.00301319/step Wall: 14850.3, 0.00301319/step, 0.0539026 hours remaining, 208.691406 MB of memory in use. ENERGY: 4935600 740.2907 2113.8141 1950.6080 102.3900 -206039.4295 17586.1725 0.0000 0.0000 34224.8462 -149321.3082 298.8941 -183546.1543 -149224.9567 298.5499 -118.1823 -84.6584 557478.7760 -6.2845 -6.3057 PRESSURE: 4935800 41.2203 -145.47 125.139 -145.471 -102.674 -229.715 125.138 -229.714 -272.595 GPRESSURE: 4935800 89.3737 -217.771 31.8637 -55.2459 -61.1899 -158.022 130.797 -179.819 -272.745 PRESSAVG: 4935800 14.5657 -45.3781 -19.4034 -45.3781 -9.21769 -16.3421 -19.4033 -16.3422 -3.04601 GPRESSAVG: 4935800 15.7908 -45.151 -21.3868 -43.0902 -11.2672 -16.5352 -18.7371 -16.5217 -2.185 TIMING: 4935800 CPU: 14850.9, 0.00303665/step Wall: 14850.9, 0.00303665/step, 0.0541536 hours remaining, 208.691406 MB of memory in use. ENERGY: 4935800 756.9266 2143.6083 1926.9345 104.9202 -206127.4397 17817.0021 0.0000 0.0000 34269.2599 -149108.7881 299.2820 -183378.0480 -149012.7254 299.4603 -111.3495 -81.5202 559089.5947 0.7673 0.7795 PRESSURE: 4936000 -42.3252 -252.495 -8.71539 -252.495 418.279 -136.893 -8.71509 -136.893 -153.452 GPRESSURE: 4936000 34.8933 -204.066 22.7444 -227.483 379.701 -131.905 -51.4552 -120.159 -82.7348 PRESSAVG: 4936000 -19.1287 -24.4447 -15.4722 -24.4446 66.415 -67.2585 -15.4722 -67.2585 -13.811 GPRESSAVG: 4936000 -17.4928 -26.7541 -14.3307 -26.2203 66.3231 -66.1516 -14.3422 -67.6691 -15.2856 TIMING: 4936000 CPU: 14851.5, 0.00305265/step Wall: 14851.5, 0.00305265/step, 0.0542694 hours remaining, 208.691406 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: 4936000 752.5095 2114.8641 1930.0533 120.8196 -206124.1056 17912.7558 0.0000 0.0000 34350.1713 -148942.9320 299.9886 -183293.1033 -148841.6207 299.6598 74.1672 110.6198 557517.6925 11.1584 11.1815 PRESSURE: 4936200 -98.6555 -42.556 -9.50808 -42.5563 -271.79 -107.301 -9.50753 -107.301 -102.15 GPRESSURE: 4936200 -34.9164 37.4334 -64.5485 -55.4843 -289.713 -28.8384 98.9095 -150.099 -58.7847 PRESSAVG: 4936200 64.2141 9.69032 17.019 9.69035 66.7989 -22.2969 17.019 -22.2969 -83.8052 GPRESSAVG: 4936200 62.897 10.9482 16.9498 11.3504 67.6594 -21.3828 16.4675 -23.3586 -83.3944 TIMING: 4936200 CPU: 14852.1, 0.003076/step Wall: 14852.1, 0.003076/step, 0.0545136 hours remaining, 208.691406 MB of memory in use. ENERGY: 4936200 792.6302 2060.2250 1922.2863 107.0062 -205901.0663 17629.3180 0.0000 0.0000 34456.5314 -148933.0691 300.9175 -183389.6004 -148832.8023 299.3617 -157.5317 -127.8048 557779.0009 15.7359 15.7207 LDB: ============= START OF LOAD BALANCING ============== 14855.6 LDB: ============== END OF LOAD BALANCING =============== 14855.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14855.6 LDB: ============= START OF LOAD BALANCING ============== 14855.9 LDB: Largest compute 4820 load 0.030384 is 25.7% of average load 0.118137 LDB: Average compute 0.001723 is 1.5% of average load 0.118137 LDB: TIME 14855.9 LOAD: AVG 0.118137 MAX 0.218083 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.277 MB LDB: TIME 14855.9 LOAD: AVG 0.118137 MAX 0.218083 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: TIME 14855.9 LOAD: AVG 0.118137 MAX 0.218083 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.277 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14855.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14855.9 PRESSURE: 4936400 44.5349 -5.82757 -32.7385 -5.82778 11.4464 -83.8109 -32.7384 -83.8098 -205.253 GPRESSURE: 4936400 115.556 56.7278 -49.1815 -54.1834 32.562 -20.391 -21.772 -39.9851 -201.606 PRESSAVG: 4936400 24.2068 -36.2555 3.78325 -36.2556 1.43731 -41.2163 3.7833 -41.2163 -71.1759 GPRESSAVG: 4936400 24.6914 -35.9214 5.04106 -39.3558 0.862187 -44.4844 2.74079 -38.9846 -71.1151 TIMING: 4936400 CPU: 14852.7, 0.00313614/step Wall: 14852.7, 0.00313614/step, 0.0554052 hours remaining, 208.558594 MB of memory in use. ENERGY: 4936400 737.5555 2174.2882 1909.3053 121.1230 -206044.7157 17741.3184 0.0000 0.0000 34376.2150 -148984.9103 300.2160 -183361.1253 -148884.9143 300.1631 -49.7571 -17.8295 557418.4089 -15.1772 -15.1872 PRESSURE: 4936600 13.5987 -108.616 11.3973 -108.615 144.452 23.5254 11.3991 23.5269 -343.866 GPRESSURE: 4936600 56.4778 -32.1324 69.7945 -114.182 99.2334 10.9672 -53.0923 79.3306 -242.562 PRESSAVG: 4936600 81.3684 -42.3636 -8.77642 -42.3636 26.1867 9.68594 -8.77636 9.68598 -98.3883 GPRESSAVG: 4936600 81.6336 -42.6916 -10.4168 -39.6713 26.591 11.1958 -9.2188 8.64816 -98.8791 TIMING: 4936600 CPU: 14853.4, 0.00305594/step Wall: 14853.4, 0.00305594/step, 0.0538186 hours remaining, 208.558594 MB of memory in use. ENERGY: 4936600 737.0636 2104.1053 1926.7418 120.5708 -205924.5674 17767.8904 0.0000 0.0000 34313.3175 -148954.8780 299.6667 -183268.1955 -148853.5005 299.9945 -61.9383 -28.9503 557127.5222 3.0556 3.1151 PRESSURE: 4936800 -1.97051 -203.115 -180.409 -203.116 59.4441 -35.8538 -180.408 -35.8544 -130.847 GPRESSURE: 4936800 -4.8727 -251.214 -137.753 -173.238 78.2289 -25.2132 -162.415 -81.1231 -54.6181 PRESSAVG: 4936800 -17.3103 -0.203758 -26.2027 -0.203772 19.5768 -20.587 -26.2026 -20.587 -29.8413 GPRESSAVG: 4936800 -16.6082 1.19736 -25.2567 -3.06312 18.9892 -21.874 -25.1317 -20.0386 -30.1963 TIMING: 4936800 CPU: 14854, 0.00307182/step Wall: 14854, 0.00307182/step, 0.0539275 hours remaining, 208.816406 MB of memory in use. ENERGY: 4936800 762.7169 2100.0059 1911.3426 106.5938 -206094.4306 17771.2461 0.0000 0.0000 34500.9171 -148941.6083 301.3051 -183442.5253 -148850.2669 299.5296 -24.4577 6.2460 557233.5253 -9.1916 -9.2718 PRESSURE: 4937000 2.88866 50.8864 -128.25 50.8856 101.192 -32.6599 -128.25 -32.6603 -81.5798 GPRESSURE: 4937000 -14.8297 54.5927 -79.1108 83.1159 187.431 -23.2604 -86.1533 25.716 -58.7783 PRESSAVG: 4937000 4.12217 -24.4457 -67.2724 -24.4457 6.96616 0.317147 -67.2723 0.317091 -13.4741 GPRESSAVG: 4937000 3.20346 -24.9056 -66.0637 -22.6703 7.69494 2.47972 -67.0905 -0.731598 -12.9514 TIMING: 4937000 CPU: 14854.6, 0.00304222/step Wall: 14854.6, 0.00304222/step, 0.0532389 hours remaining, 208.816406 MB of memory in use. ENERGY: 4937000 728.2617 2148.6989 1938.8405 122.6313 -206136.4325 17801.0009 0.0000 0.0000 34351.0548 -149045.9445 299.9963 -183396.9993 -148944.3465 300.0898 7.5003 37.9409 556852.0249 -0.7952 -0.6843 PRESSURE: 4937200 -32.3444 -39.3451 -33.5061 -39.3435 6.00385 -56.6802 -33.5056 -56.6804 9.51853 GPRESSURE: 4937200 -54.6041 17.4106 -67.6989 -40.1564 42.0931 -19.2673 -46.9567 -86.5397 76.5629 PRESSAVG: 4937200 30.6295 4.02401 39.8666 4.02411 -32.3842 -44.2104 39.8667 -44.2103 -9.80988 GPRESSAVG: 4937200 31.6321 3.86872 36.955 3.20318 -32.4803 -45.4557 41.1042 -43.7408 -10.3599 TIMING: 4937200 CPU: 14855.2, 0.00302929/step Wall: 14855.2, 0.00302929/step, 0.0528442 hours remaining, 208.816406 MB of memory in use. ENERGY: 4937200 750.2029 2092.4380 1951.3749 110.7919 -206443.4875 17955.5830 0.0000 0.0000 34317.3353 -149265.7615 299.7018 -183583.0968 -149171.3187 299.7180 -5.6073 21.3506 558578.3945 -3.8549 -3.7360 PRESSURE: 4937400 -107.664 118.225 -55.1191 118.225 -240.885 -0.104536 -55.1187 -0.105646 -155.582 GPRESSURE: 4937400 -117.561 62.0885 -18.5846 154.186 -216.546 9.60324 -28.5587 -56.1027 -59.5138 PRESSAVG: 4937400 -90.452 4.13271 -50.9257 4.1327 48.9425 18.448 -50.9257 18.448 53.658 GPRESSAVG: 4937400 -91.5938 3.10906 -50.722 4.90352 50.148 18.6246 -53.5514 17.826 53.9719 TIMING: 4937400 CPU: 14855.8, 0.00304263/step Wall: 14855.8, 0.00304263/step, 0.0529079 hours remaining, 208.816406 MB of memory in use. ENERGY: 4937400 763.2161 2064.4341 1978.9231 116.1814 -206128.7903 17709.9546 0.0000 0.0000 34248.9222 -149247.1588 299.1044 -183496.0810 -149153.8383 299.4674 -168.0440 -131.2069 558446.3448 4.0495 4.1754 PRESSURE: 4937600 6.5725 201.566 -136.074 201.567 -120.356 32.2146 -136.074 32.2163 -154.162 GPRESSURE: 4937600 -19.7911 138.921 -191.517 103.397 -88.0231 -18.646 -34.7167 22.7699 -67.8743 PRESSAVG: 4937600 -85.4138 44.0817 -26.0873 44.0817 -18.0009 -39.9926 -26.0872 -39.9925 135.152 GPRESSAVG: 4937600 -84.0051 45.6725 -25.1196 42.485 -18.8118 -40.5905 -25.5026 -40.7371 134.719 TIMING: 4937600 CPU: 14856.4, 0.00306117/step Wall: 14856.4, 0.00306117/step, 0.0530604 hours remaining, 208.816406 MB of memory in use. ENERGY: 4937600 775.3173 2083.9319 1962.6367 108.1152 -206246.8766 17764.0720 0.0000 0.0000 34265.0952 -149287.7083 299.2456 -183552.8036 -149192.6399 299.1811 -89.3152 -58.5628 557966.3818 10.5791 10.6339 PRESSURE: 4937800 50.9139 14.1507 147.847 14.1522 -231.242 -53.308 147.847 -53.3092 -35.352 GPRESSURE: 4937800 95.9148 61.2109 128.763 17.2335 -162.434 155.414 100.496 -137.014 -35.6221 PRESSAVG: 4937800 11.9788 -5.87882 -50.7332 -5.87892 -44.12 29.1114 -50.7333 29.1113 34.7734 GPRESSAVG: 4937800 11.7701 -6.51955 -50.5828 -3.44774 -43.4691 30.7495 -51.5176 29.9785 34.7788 TIMING: 4937800 CPU: 14857, 0.00307839/step Wall: 14857, 0.00307839/step, 0.0531877 hours remaining, 208.816406 MB of memory in use. ENERGY: 4937800 749.6065 2082.9374 1948.6223 114.3353 -206067.6782 17514.7846 0.0000 0.0000 34354.4519 -149302.9402 300.0260 -183657.3921 -149205.4327 299.2934 -71.8935 -34.0470 557585.9067 0.8774 1.0266 PRESSURE: 4938000 -403.678 186.777 175.389 186.777 -46.2263 219.647 175.388 219.647 -316.155 GPRESSURE: 4938000 -393.217 249.582 174.513 117.881 -2.33385 266.909 202.391 204.277 -261.272 PRESSAVG: 4938000 19.8171 15.3166 59.9309 15.3166 -57.2279 6.23663 59.9308 6.23673 -5.38855 GPRESSAVG: 4938000 18.9942 15.8263 58.7145 15.0022 -56.667 3.98389 60.4155 7.12631 -4.54346 TIMING: 4938000 CPU: 14857.6, 0.00307259/step Wall: 14857.6, 0.00307259/step, 0.0529168 hours remaining, 208.816406 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: 4938000 787.9374 2121.6720 1952.0276 112.9709 -205774.4156 17436.8250 0.0000 0.0000 34178.5900 -149184.3926 298.4901 -183362.9827 -149083.5978 299.2231 -255.3531 -218.9407 558693.1891 -14.2664 -14.0721 PRESSURE: 4938200 213.039 -67.1264 -325.925 -67.1256 65.2992 -10.7077 -325.923 -10.7088 -80.1556 GPRESSURE: 4938200 200.476 -25.2099 -260.672 -151.57 109.571 -3.64256 -341.081 -23.3378 -5.57074 PRESSAVG: 4938200 44.3679 -42.8696 18.9586 -42.8696 -29.1981 16.7721 18.9587 16.772 -28.51 GPRESSAVG: 4938200 44.7433 -42.3802 20.1074 -46.4947 -30.2685 15.8375 18.2332 16.1164 -27.761 TIMING: 4938200 CPU: 14858.3, 0.00308122/step Wall: 14858.3, 0.00308122/step, 0.0528943 hours remaining, 208.816406 MB of memory in use. ENERGY: 4938200 694.5015 2102.6374 1944.4896 114.7374 -206262.2748 17863.4472 0.0000 0.0000 34307.0888 -149235.3729 299.6123 -183542.4617 -149136.4260 298.8651 66.0610 101.4921 557771.1144 -4.4467 -4.4288 PRESSURE: 4938400 175.47 -17.057 -81.9394 -17.0578 102.938 -13.6724 -81.9397 -13.6712 -2.07452 GPRESSURE: 4938400 211.666 17.6138 -103.337 -32.8398 150.396 5.29374 -90.0516 -13.0879 14.0447 PRESSAVG: 4938400 8.69078 -10.618 -49.4043 -10.618 68.037 20.9001 -49.4043 20.9001 -55.896 GPRESSAVG: 4938400 9.18343 -10.5361 -51.047 -7.43701 69.0615 20.8225 -46.146 20.3488 -57.7922 TIMING: 4938400 CPU: 14858.9, 0.00307558/step Wall: 14858.9, 0.00307558/step, 0.0526265 hours remaining, 208.816406 MB of memory in use. ENERGY: 4938400 743.3053 2095.6053 1939.5805 115.9668 -206462.4533 18131.1323 0.0000 0.0000 34243.1043 -149193.7589 299.0535 -183436.8631 -149099.3756 299.2166 92.1113 125.3688 558657.3079 6.9440 6.8176 PRESSURE: 4938600 25.4187 41.5189 63.2527 41.5198 185.873 -69.7542 63.253 -69.7541 -120.341 GPRESSURE: 4938600 38.7318 22.9667 99.9984 59.6296 200.801 -46.4205 -23.3982 -96.4332 -59.3916 PRESSAVG: 4938600 -17.9876 7.10252 -45.016 7.1026 31.0925 17.4537 -45.016 17.4537 6.58211 GPRESSAVG: 4938600 -18.5404 6.71722 -45.0005 7.23905 30.551 19.0193 -46.4781 18.1674 7.8752 TIMING: 4938600 CPU: 14859.5, 0.00304121/step Wall: 14859.5, 0.00304121/step, 0.0518696 hours remaining, 208.816406 MB of memory in use. ENERGY: 4938600 707.0398 2099.1898 1944.2973 117.5543 -206072.8494 17730.7065 0.0000 0.0000 34281.7264 -149192.3353 299.3908 -183474.0617 -149092.7064 299.8318 30.3171 60.0469 557830.4665 6.5623 6.6286 PRESSURE: 4938800 -124.963 -118.083 125.118 -118.085 -305.691 -116.765 125.117 -116.765 -286.261 GPRESSURE: 4938800 -73.2268 -97.9898 87.5953 -158.279 -276.502 -42.2683 185.467 -98.1136 -271.023 PRESSAVG: 4938800 -45.6338 20.7291 -36.8167 20.729 42.994 -3.83948 -36.8166 -3.83938 -25.0446 GPRESSAVG: 4938800 -45.7405 22.5113 -37.4363 17.3285 43.399 -2.83461 -33.9859 -5.10557 -25.469 TIMING: 4938800 CPU: 14860.1, 0.00304507/step Wall: 14860.1, 0.00304507/step, 0.0517662 hours remaining, 208.816406 MB of memory in use. ENERGY: 4938800 773.3469 2109.9884 1942.2589 118.0369 -205842.1849 17449.6886 0.0000 0.0000 34260.8414 -149188.0239 299.2084 -183448.8653 -149095.0868 299.0384 -238.9718 -206.9172 557969.5419 -9.2281 -9.2702 PRESSURE: 4939000 -88.6057 33.8884 -326.482 33.8888 -138.602 67.7577 -326.482 67.7583 40.0567 GPRESSURE: 4939000 -91.344 62.5523 -350.943 23.8269 -75.7591 97.027 -321.16 85.3935 75.0441 PRESSAVG: 4939000 7.65293 22.9716 -34.7297 22.9718 -2.76669 -46.5106 -34.7297 -46.5106 -7.57526 GPRESSAVG: 4939000 8.24637 21.8032 -31.8509 25.9949 -3.41877 -47.5371 -38.2159 -45.1931 -7.47125 TIMING: 4939000 CPU: 14860.7, 0.00304593/step Wall: 14860.7, 0.00304593/step, 0.0516116 hours remaining, 208.816406 MB of memory in use. ENERGY: 4939000 760.4318 2091.1858 1930.9245 116.0223 -206189.6105 17778.6457 0.0000 0.0000 34281.5290 -149230.8715 299.3891 -183512.4005 -149140.7047 298.4133 -62.3836 -30.6863 556634.7060 -0.8963 -0.8812 PRESSURE: 4939200 8.34577 45.6263 14.0834 45.6275 208.318 137.929 14.0836 137.929 22.1747 GPRESSURE: 4939200 63.5181 -27.0954 -9.89698 39.7963 246.192 74.5352 5.79055 244.028 32.0053 PRESSAVG: 4939200 8.48388 39.9081 46.3972 39.9082 -16.7426 -4.39691 46.3971 -4.39689 48.8638 GPRESSAVG: 4939200 8.73649 39.1962 45.4999 40.3295 -16.1607 -5.52531 45.9751 -3.797 48.398 TIMING: 4939200 CPU: 14861.3, 0.00305061/step Wall: 14861.3, 0.00305061/step, 0.0515215 hours remaining, 208.816406 MB of memory in use. ENERGY: 4939200 746.6928 2055.6308 1960.9704 124.1844 -206195.6483 17902.9514 0.0000 0.0000 34270.9980 -149134.2205 299.2971 -183405.2185 -149038.5879 298.9510 79.6127 113.9053 557919.3979 13.5350 13.6579 PRESSURE: 4939400 -28.1135 39.8238 71.5876 39.8232 -27.4385 -147.072 71.5879 -147.073 96.6828 GPRESSURE: 4939400 -36.5161 62.0909 -11.5847 -37.9855 78.2813 69.9962 142.497 -293.008 105.023 PRESSAVG: 4939400 -11.2122 -37.4813 -31.6979 -37.4812 -24.9509 -15.0829 -31.6979 -15.0829 33.3927 GPRESSAVG: 4939400 -11.8385 -39.1989 -32.6889 -36.7227 -25.6151 -14.2607 -29.1912 -16.069 34.6522 TIMING: 4939400 CPU: 14861.9, 0.00303444/step Wall: 14861.9, 0.00303444/step, 0.0510797 hours remaining, 208.816406 MB of memory in use. ENERGY: 4939400 775.7238 2018.9717 1963.2539 110.2609 -206115.2660 17889.8563 0.0000 0.0000 34208.6886 -149148.5107 298.7530 -183357.1993 -149049.6266 299.4862 13.7103 48.9294 557943.8885 -0.9235 -0.9338 PRESSURE: 4939600 -165.816 -145.086 -154.445 -145.088 30.3895 39.3182 -154.446 39.3195 -119.139 GPRESSURE: 4939600 -193.343 -156.766 -177.55 24.7301 39.137 -13.2124 -136.227 42.6382 -7.62005 PRESSAVG: 4939600 -9.37244 9.62099 -9.28826 9.62105 28.2961 -41.652 -9.28827 -41.6521 -12.4242 GPRESSAVG: 4939600 -10.129 10.1863 -6.70088 8.08306 28.754 -44.1107 -11.7171 -38.5185 -12.4179 TIMING: 4939600 CPU: 14862.5, 0.00304898/step Wall: 14862.5, 0.00304898/step, 0.051155 hours remaining, 208.816406 MB of memory in use. ENERGY: 4939600 745.4126 2102.2549 1956.6641 119.1646 -206243.5025 17719.6854 0.0000 0.0000 34540.1080 -149060.2129 301.6474 -183600.3209 -148961.4263 299.9989 -84.8552 -53.9420 557934.4630 2.1665 2.0690 PRESSURE: 4939800 -216.336 65.4984 40.0538 65.4982 -150.845 45.1466 40.0531 45.1466 136.08 GPRESSURE: 4939800 -166.354 77.7296 76.5992 42.3804 -60.728 107.065 -16.6398 108.753 101.453 PRESSAVG: 4939800 -54.9463 -7.89609 -30.414 -7.89609 -9.86847 10.8923 -30.4139 10.8922 35.6823 GPRESSAVG: 4939800 -53.446 -8.9684 -31.3091 -7.34785 -10.2423 12.9631 -30.1959 7.84513 35.4387 TIMING: 4939800 CPU: 14863.1, 0.00305003/step Wall: 14863.1, 0.00305003/step, 0.0510033 hours remaining, 208.816406 MB of memory in use. ENERGY: 4939800 782.2113 2015.2606 1955.5736 122.6203 -206324.8844 17891.4323 0.0000 0.0000 34449.4507 -149108.3357 300.8556 -183557.7864 -149017.2932 299.6574 -77.0338 -41.8760 558247.5501 -9.7108 -9.4165 PRESSURE: 4940000 -171.826 -131.1 -135.987 -131.1 -149.794 41.1489 -135.987 41.1491 -246.803 GPRESSURE: 4940000 -94.2687 -191.536 -19.4439 -59.7863 -156.583 28.1311 -179.312 17.5422 -210.133 PRESSAVG: 4940000 -45.3849 -43.6222 -11.68 -43.6222 9.34411 19.6391 -11.68 19.6392 39.8453 GPRESSAVG: 4940000 -45.7149 -40.3555 -10.7999 -43.9987 9.81088 20.5778 -10.0093 19.9858 39.546 TIMING: 4940000 CPU: 14863.7, 0.00304369/step Wall: 14863.7, 0.00304369/step, 0.0507282 hours remaining, 208.816406 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: 4940000 765.5185 2082.1515 1953.0695 116.2566 -205806.6844 17525.4853 0.0000 0.0000 34164.4783 -149199.7249 298.3669 -183364.2032 -149094.2369 299.4679 -189.4745 -153.6615 556938.2272 1.2682 1.2140 PRESSURE: 4940200 -152.571 -121.931 95.1571 -121.931 77.1539 -43.4953 95.1574 -43.4947 -225.802 GPRESSURE: 4940200 -109.305 -58.7759 26.8469 -47.4303 76.8741 -1.42288 146.094 -139.227 -156.673 PRESSAVG: 4940200 -31.2846 -47.3692 -12.9717 -47.3692 27.3538 -18.7905 -12.9716 -18.7905 39.8139 GPRESSAVG: 4940200 -31.1151 -48.6226 -14.4811 -46.4097 26.9491 -20.0838 -13.4864 -18.8619 39.8651 TIMING: 4940200 CPU: 14864.3, 0.00305298/step Wall: 14864.3, 0.00305298/step, 0.0507135 hours remaining, 208.816406 MB of memory in use. ENERGY: 4940200 747.6681 2062.2698 1931.1515 120.9139 -205713.1752 17498.3313 0.0000 0.0000 34422.8759 -148929.9648 300.6235 -183352.8406 -148831.3969 300.0847 -100.4062 -63.0348 555581.4505 11.9610 11.8997 LDB: ============= START OF LOAD BALANCING ============== 14867.8 LDB: ============== END OF LOAD BALANCING =============== 14867.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14867.8 LDB: ============= START OF LOAD BALANCING ============== 14868.1 LDB: Largest compute 4820 load 0.029257 is 24.8% of average load 0.118080 LDB: Average compute 0.001718 is 1.5% of average load 0.118080 LDB: TIME 14868.1 LOAD: AVG 0.11808 MAX 0.215014 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.27 MB LDB: TIME 14868.1 LOAD: AVG 0.11808 MAX 0.215014 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.273 MB LDB: TIME 14868.1 LOAD: AVG 0.11808 MAX 0.215014 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.273 MB LDB: ============== END OF LOAD BALANCING =============== 14868.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14868.1 PRESSURE: 4940400 97.9579 -11.2048 26.0272 -11.2053 -13.1004 -21.3903 26.0266 -21.3914 -54.3033 GPRESSURE: 4940400 97.9268 30.0239 22.8832 -108.248 38.1004 -89.9768 -1.94234 24.2379 -5.88679 PRESSAVG: 4940400 -25.1567 -19.9657 -11.6839 -19.9657 15.1088 -30.2514 -11.6839 -30.2514 -0.932536 GPRESSAVG: 4940400 -25.5198 -20.9547 -12.3614 -19.6853 15.1832 -29.4276 -11.7011 -30.7084 -0.502036 TIMING: 4940400 CPU: 14865, 0.00311624/step Wall: 14865, 0.00311624/step, 0.051591 hours remaining, 208.867188 MB of memory in use. ENERGY: 4940400 756.9151 2099.6898 1945.6334 120.7118 -205874.3986 17777.3941 0.0000 0.0000 34274.1606 -148899.8938 299.3248 -183174.0543 -148804.4181 299.9909 10.1847 43.3801 558064.3286 -3.6601 -3.6129 PRESSURE: 4940600 242.877 5.85184 -101.785 5.85186 -101.225 156.245 -101.786 156.245 49.3027 GPRESSURE: 4940600 200.413 -5.07906 -55.9866 73.1773 4.5901 166.651 -87.7902 95.5036 82.0614 PRESSAVG: 4940600 26.4814 -28.6659 -36.6491 -28.6658 -28.5727 36.9044 -36.6491 36.9044 -13.8235 GPRESSAVG: 4940600 27.3341 -29.2565 -37.1086 -28.2632 -29.0391 36.9278 -36.7507 37.5469 -14.0898 TIMING: 4940600 CPU: 14865.6, 0.00305235/step Wall: 14865.6, 0.00305235/step, 0.0503638 hours remaining, 208.867188 MB of memory in use. ENERGY: 4940600 756.8385 2132.1990 1957.7852 112.6046 -205946.2005 17689.6926 0.0000 0.0000 34319.9755 -148977.1050 299.7249 -183297.0805 -148881.6891 299.4096 63.6516 95.6882 555777.3197 -5.3049 -5.2649 PRESSURE: 4940800 -126.545 -28.7218 -14.7078 -28.7217 -223.797 -54.9184 -14.7081 -54.92 -155.757 GPRESSURE: 4940800 -137.688 5.53324 -13.6949 -70.4102 -176.154 -10.3405 -25.0267 -57.2955 -84.3822 PRESSAVG: 4940800 28.926 -20.2416 -25.7462 -20.2416 -26.8464 -35.7724 -25.7463 -35.7724 8.83359 GPRESSAVG: 4940800 28.8054 -20.2351 -24.4257 -20.4104 -26.8187 -36.5766 -25.0872 -35.8335 8.87203 TIMING: 4940800 CPU: 14866.2, 0.00306439/step Wall: 14866.2, 0.00306439/step, 0.0503922 hours remaining, 208.867188 MB of memory in use. ENERGY: 4940800 758.9977 2070.9373 1942.5584 114.7949 -205773.4664 17462.3367 0.0000 0.0000 34300.4130 -149123.4284 299.5540 -183423.8413 -149021.9772 300.5601 -168.6994 -132.7415 557918.0323 3.6377 3.6196 PRESSURE: 4941000 -112.113 -49.3877 104.797 -49.386 195.085 114.065 104.796 114.064 69.5957 GPRESSURE: 4941000 2.26203 -79.9869 118.174 -65.8938 177.641 109.561 84.8719 7.46963 76.5564 PRESSAVG: 4941000 9.78557 -27.1458 14.0843 -27.1458 -59.1279 18.7561 14.0844 18.7561 60.9502 GPRESSAVG: 4941000 9.82572 -26.8757 14.793 -28.2858 -59.6208 17.0382 14.7564 20.0984 61.6638 TIMING: 4941000 CPU: 14866.8, 0.00301774/step Wall: 14866.8, 0.00301774/step, 0.0494573 hours remaining, 208.867188 MB of memory in use. ENERGY: 4941000 760.6549 2104.0344 1931.2536 106.6863 -206305.0195 17965.1795 0.0000 0.0000 34304.8497 -149132.3611 299.5928 -183437.2108 -149035.9932 299.2665 50.8558 85.4864 557085.4011 3.8693 3.9563 PRESSURE: 4941200 -52.1054 67.9126 36.9222 67.9138 129.37 172.89 36.9225 172.89 105.277 GPRESSURE: 4941200 -41.2627 85.1206 11.3298 66.7843 176.279 178.04 56.5005 162.775 142.046 PRESSAVG: 4941200 -35.4798 11.4313 11.9138 11.4313 -46.6299 19.6233 11.9139 19.6233 76.8248 GPRESSAVG: 4941200 -35.0579 11.7738 11.333 13.5616 -46.2712 19.75 11.6001 18.5129 76.2736 TIMING: 4941200 CPU: 14867.4, 0.00302189/step Wall: 14867.4, 0.00302189/step, 0.0493576 hours remaining, 208.867188 MB of memory in use. ENERGY: 4941200 754.3926 2107.5736 1950.4972 121.8162 -205918.9660 17611.6772 0.0000 0.0000 34259.9231 -149113.0860 299.2004 -183373.0092 -149022.9134 299.2494 60.8474 92.3542 556200.8120 -1.7616 -1.6852 PRESSURE: 4941400 95.0517 -214.649 63.5935 -214.648 45.883 -141.611 63.5927 -141.611 113.365 GPRESSURE: 4941400 191.314 -227.63 148.867 -156.138 59.7765 -86.1495 57.4346 -114.697 91.4484 PRESSAVG: 4941400 -16.0903 6.84198 45.1837 6.84199 -17.6286 -16.663 45.1837 -16.6631 42.7635 GPRESSAVG: 4941400 -16.6859 7.96294 44.4233 5.46395 -17.3941 -12.9179 45.0354 -18.7851 43.9702 TIMING: 4941400 CPU: 14868, 0.00303226/step Wall: 14868, 0.00303226/step, 0.0493585 hours remaining, 208.867188 MB of memory in use. ENERGY: 4941400 719.4543 2122.2311 1955.5222 112.2747 -206034.6658 17794.3393 0.0000 0.0000 34351.0439 -148979.8003 299.9962 -183330.8442 -148882.9238 299.6215 84.7667 114.1797 556470.1372 3.0149 3.2967 PRESSURE: 4941600 193.893 -81.3266 29.0979 -81.3259 59.6956 -137.116 29.0993 -137.117 -147.757 GPRESSURE: 4941600 235.902 -78.8486 66.4144 -141.361 38.0441 -213.63 -21.4724 -90.7188 -72.547 PRESSAVG: 4941600 58.5342 -99.8049 -22.1327 -99.8049 -18.809 -56.5003 -22.1328 -56.5003 -66.6654 GPRESSAVG: 4941600 58.0347 -100.201 -21.4172 -99.2002 -18.696 -58.8317 -22.7589 -54.7412 -66.2486 TIMING: 4941600 CPU: 14868.6, 0.00302347/step Wall: 14868.6, 0.00302347/step, 0.0490474 hours remaining, 208.867188 MB of memory in use. ENERGY: 4941600 744.6900 2117.6481 1928.1629 100.7883 -206004.3041 17646.4921 0.0000 0.0000 34457.0857 -149009.4370 300.9223 -183466.5226 -148915.7004 300.5510 35.2771 67.1331 555862.4519 -8.9801 -8.9700 PRESSURE: 4941800 -109.904 218.012 22.0677 218.012 -53.8343 236.599 22.0672 236.6 88.5522 GPRESSURE: 4941800 -68.1969 185.354 22.2378 262.345 -1.54502 221.738 82.9801 286.573 101.581 PRESSAVG: 4941800 4.06468 34.8723 -29.0845 34.8723 -16.6366 -80.2234 -29.0846 -80.2234 9.46032 GPRESSAVG: 4941800 4.07811 33.6117 -30.3731 33.8994 -16.7363 -81.7237 -28.7671 -78.1357 9.46301 TIMING: 4941800 CPU: 14869.2, 0.00303986/step Wall: 14869.2, 0.00303986/step, 0.0491444 hours remaining, 208.867188 MB of memory in use. ENERGY: 4941800 773.5185 2096.6655 1960.9413 108.2630 -206130.6832 17795.5379 0.0000 0.0000 34218.7694 -149176.9875 298.8410 -183395.7569 -149081.5352 300.0155 -25.0620 10.6129 556901.0353 -1.0372 -1.0651 PRESSURE: 4942000 65.5911 95.7151 -212.489 95.7146 144.226 73.3779 -212.488 73.3784 173.04 GPRESSURE: 4942000 116.219 149.706 -253.617 75.0387 164.024 71.9456 -148.904 102.166 188.378 PRESSAVG: 4942000 40.994 29.2128 -11.5059 29.2128 -37.0613 31.6843 -11.5059 31.6843 29.2893 GPRESSAVG: 4942000 40.0257 26.4418 -10.8859 31.6139 -37.0633 33.5003 -11.1842 26.8086 29.5593 TIMING: 4942000 CPU: 14869.8, 0.00302953/step Wall: 14869.8, 0.00302953/step, 0.048809 hours remaining, 208.867188 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: 4942000 745.2520 2127.1792 1940.4022 117.9066 -206621.7083 18179.9125 0.0000 0.0000 34299.8439 -149211.2118 299.5491 -183511.0557 -149116.7439 299.8359 127.6191 156.2068 558346.6224 11.0740 10.8406 PRESSURE: 4942200 -53.655 -78.7348 -96.501 -78.7348 -116.354 107.853 -96.5006 107.851 -148.697 GPRESSURE: 4942200 -20.5727 -103.054 -51.1902 -85.7282 -132.118 110.697 -75.226 201.452 -75.808 PRESSAVG: 4942200 6.55532 41.6128 9.64191 41.6129 41.0267 -7.52665 9.64202 -7.52666 -59.2352 GPRESSAVG: 4942200 8.44597 45.1074 9.49875 37.2133 40.1841 -6.83555 9.33288 -6.94514 -60.3825 TIMING: 4942200 CPU: 14870.4, 0.0030325/step Wall: 14870.4, 0.0030325/step, 0.0486885 hours remaining, 208.867188 MB of memory in use. ENERGY: 4942200 761.5497 2065.5735 1939.5467 130.3592 -206444.9513 17817.8594 0.0000 0.0000 34308.2322 -149421.8307 299.6223 -183730.0629 -149327.9657 299.5745 -106.2353 -76.1663 556693.9625 -3.8844 -3.9175 PRESSURE: 4942400 158.047 -114.968 -200.019 -114.967 -81.4322 90.6188 -200.019 90.6176 -190.579 GPRESSURE: 4942400 150.141 -149.634 -94.6598 -163.613 -64.5099 64.3927 -219.105 64.03 -110.672 PRESSAVG: 4942400 63.4709 -65.979 39.4505 -65.9789 14.0975 4.62743 39.4505 4.62735 -60.0697 GPRESSAVG: 4942400 63.2697 -68.8991 38.7467 -63.513 13.4428 3.40578 40.1434 3.89518 -59.4825 TIMING: 4942400 CPU: 14871, 0.00300842/step Wall: 14871, 0.00300842/step, 0.0481347 hours remaining, 208.867188 MB of memory in use. ENERGY: 4942400 716.3901 2098.6310 1963.0557 98.8611 -206525.7460 17818.1108 0.0000 0.0000 34293.3967 -149537.3006 299.4928 -183830.6973 -149438.7308 299.1836 -37.9880 -8.3472 556255.3285 5.8329 5.7433 PRESSURE: 4942600 211.544 145.136 -79.0618 145.136 86.6509 -142.801 -79.0613 -142.801 194.407 GPRESSURE: 4942600 238.295 137.522 -104.624 136.434 131.85 -108.933 -115.404 -104.537 213.579 PRESSAVG: 4942600 50.0373 -34.9936 -38.2621 -34.9936 -27.5822 25.4241 -38.2621 25.4241 -18.9755 GPRESSAVG: 4942600 49.9213 -31.4938 -38.8442 -35.8563 -27.288 23.6018 -35.4597 28.2893 -18.9218 TIMING: 4942600 CPU: 14871.6, 0.00301065/step Wall: 14871.6, 0.00301065/step, 0.0480031 hours remaining, 208.867188 MB of memory in use. ENERGY: 4942600 713.4111 2040.9623 1941.3035 114.7386 -206447.2408 18026.2635 0.0000 0.0000 34274.1358 -149336.4258 299.3246 -183610.5617 -149242.2722 298.6730 164.2006 194.5747 557404.8148 1.1599 1.2371 PRESSURE: 4942800 -37.9964 165.813 154.588 165.814 -319.964 -33.3676 154.588 -33.3676 224.287 GPRESSURE: 4942800 9.80158 117.287 148.059 146.168 -244.809 -44.6412 132.152 -91.0588 212.157 PRESSAVG: 4942800 -34.2018 34.5942 31.1735 34.5942 67.2377 -76.0978 31.1734 -76.0978 -11.4294 GPRESSAVG: 4942800 -34.9303 31.1832 30.4698 35.0542 69.3967 -74.3104 30.0604 -76.0294 -12.5265 TIMING: 4942800 CPU: 14872.2, 0.00304548/step Wall: 14872.2, 0.00304548/step, 0.0483894 hours remaining, 208.867188 MB of memory in use. ENERGY: 4942800 764.1576 2095.0330 1973.1620 116.2345 -206542.0184 17785.8550 0.0000 0.0000 34498.5442 -149309.0321 301.2844 -183807.5763 -149211.7761 299.4212 -44.5579 -7.6170 557474.3260 7.2021 7.3133 PRESSURE: 4943000 -140.92 -79.6159 38.1278 -79.615 29.4156 -4.44626 38.1274 -4.44699 25.6907 GPRESSURE: 4943000 -89.6379 -56.3337 66.8891 -17.2506 93.5153 -35.6535 26.3243 10.9854 2.16294 PRESSAVG: 4943000 7.92093 43.4937 -20.3531 43.4938 22.0114 -19.434 -20.353 -19.4341 -15.9665 GPRESSAVG: 4943000 7.78366 44.1755 -18.0943 43.8278 21.5191 -19.3817 -22.8539 -21.8189 -14.4505 TIMING: 4943000 CPU: 14872.9, 0.00303322/step Wall: 14872.9, 0.00303322/step, 0.048026 hours remaining, 208.867188 MB of memory in use. ENERGY: 4943000 767.1963 2073.2744 1937.9431 109.5303 -205843.7746 17435.1852 0.0000 0.0000 34164.9830 -149355.6623 298.3713 -183520.6452 -149260.0563 299.1797 -28.6047 2.0135 557469.0994 4.6553 4.9508 PRESSURE: 4943200 5.32072 4.46295 41.879 4.462 -56.8686 -130.187 41.8793 -130.185 -120.091 GPRESSURE: 4943200 17.583 -0.817913 35.7972 -63.0202 11.2652 -93.399 51.3171 -132.948 -107.874 PRESSAVG: 4943200 1.10794 -14.0886 25.5592 -14.0886 17.5728 16.1862 25.5593 16.1863 -38.7035 GPRESSAVG: 4943200 1.25218 -15.5359 25.909 -13.4245 17.775 15.8565 25.6877 19.2121 -38.9969 TIMING: 4943200 CPU: 14873.5, 0.00304081/step Wall: 14873.5, 0.00304081/step, 0.0479773 hours remaining, 208.867188 MB of memory in use. ENERGY: 4943200 683.7347 2141.5913 1928.1281 118.6729 -205752.7817 17396.8963 0.0000 0.0000 34297.6007 -149186.1578 299.5295 -183483.7584 -149083.1933 298.5356 -57.2130 -26.3419 557419.6027 -6.6742 -6.6566 PRESSURE: 4943400 -128.916 38.9406 24.0985 38.9389 48.4941 -147.137 24.0998 -147.136 -192.698 GPRESSURE: 4943400 16.127 105.541 -37.9304 60.8655 40.3682 -134.933 4.3898 -58.0392 -224.748 PRESSAVG: 4943400 24.1546 46.6605 58.9579 46.6605 -42.941 72.2796 58.9579 72.2796 8.04504 GPRESSAVG: 4943400 25.3189 47.5917 55.0549 47.5445 -43.0127 74.6699 61.1512 69.1482 6.68691 TIMING: 4943400 CPU: 14874.1, 0.00302109/step Wall: 14874.1, 0.00302109/step, 0.0474982 hours remaining, 208.867188 MB of memory in use. ENERGY: 4943400 775.4371 2036.5903 1955.9157 105.7476 -206244.2751 17833.5323 0.0000 0.0000 34380.3059 -149156.7462 300.2518 -183537.0521 -149060.3348 299.0134 -91.0397 -56.0844 558596.4501 -3.5804 -3.6690 PRESSURE: 4943600 10.3099 -146.121 25.6877 -146.122 214.128 90.2396 25.6873 90.2424 220.696 GPRESSURE: 4943600 91.5846 -180.42 7.00274 -108.614 224.819 121.41 7.69604 95.6591 238.743 PRESSAVG: 4943600 55.4755 -53.8133 26.0375 -53.8133 -14.0731 74.7555 26.0375 74.7556 -43.4985 GPRESSAVG: 4943600 55.1903 -53.7819 26.4391 -55.2172 -14.3552 73.7306 26.2139 76.431 -42.4494 TIMING: 4943600 CPU: 14874.7, 0.00303127/step Wall: 14874.7, 0.00303127/step, 0.0474899 hours remaining, 208.867188 MB of memory in use. ENERGY: 4943600 757.1305 2075.5328 1959.5721 110.3350 -206406.3546 18128.1715 0.0000 0.0000 34245.1304 -149130.4824 299.0712 -183375.6128 -149042.1936 299.4938 148.3780 185.0489 557498.0038 -0.6987 -0.5381 PRESSURE: 4943800 -54.2854 55.4226 -131.81 55.4229 -230.161 -122.12 -131.809 -122.119 -454.206 GPRESSURE: 4943800 -51.1036 -30.9117 -190.963 64.2848 -219.614 -144.451 -96.5763 -134.614 -377.56 PRESSAVG: 4943800 -0.603908 26.6581 -21.4019 26.6581 -21.7883 19.646 -21.4018 19.646 -22.5741 GPRESSAVG: 4943800 -0.00941409 26.9073 -18.2973 27.7262 -23.2839 18.1519 -25.2395 18.4773 -22.3865 TIMING: 4943800 CPU: 14875.3, 0.00303799/step Wall: 14875.3, 0.00303799/step, 0.0474263 hours remaining, 208.867188 MB of memory in use. ENERGY: 4943800 764.9326 2100.3667 1947.2921 124.8155 -205985.7750 17716.6263 0.0000 0.0000 34132.1885 -149199.5533 298.0849 -183331.7418 -149097.6017 300.1874 -246.2176 -216.0926 558843.9326 -14.9888 -15.2266 PRESSURE: 4944000 66.4368 -98.5757 29.9272 -98.5763 -179.836 36.3118 29.9261 36.3112 -0.974734 GPRESSURE: 4944000 62.3215 -56.07 7.09358 -113.174 -142.868 82.0224 -53.8387 -12.4732 62.4097 PRESSAVG: 4944000 -9.98524 23.1534 14.0283 23.1534 -62.5665 -0.191507 14.0282 -0.191507 40.104 GPRESSAVG: 4944000 -11.563 23.4737 13.1612 22.5054 -61.6624 -1.26181 17.8677 0.933342 40.2173 TIMING: 4944000 CPU: 14875.9, 0.00301105/step Wall: 14875.9, 0.00301105/step, 0.0468386 hours remaining, 208.867188 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: 4944000 744.8415 2108.4154 1930.9990 114.8240 -206332.3278 17953.9236 0.0000 0.0000 34277.0685 -149202.2559 299.3502 -183479.3244 -149114.3254 299.1070 -38.1248 -6.0456 558852.6577 -10.8159 -11.0027 PRESSURE: 4944200 -85.1174 -124.112 -30.8564 -124.113 -86.5462 -102.088 -30.857 -102.088 17.8052 GPRESSURE: 4944200 -95.147 -133.844 2.02189 -100.012 13.1753 -170.215 -93.8754 -51.4383 16.4775 PRESSAVG: 4944200 -32.5096 2.23961 24.8694 2.23951 -21.7165 -58.3669 24.8693 -58.3669 37.0012 GPRESSAVG: 4944200 -32.299 1.47366 26.5931 2.78603 -21.0368 -58.999 23.3991 -58.4353 36.4539 TIMING: 4944200 CPU: 14876.5, 0.00300439/step Wall: 14876.5, 0.00300439/step, 0.0465681 hours remaining, 208.867188 MB of memory in use. ENERGY: 4944200 731.8494 2119.6354 1935.3053 126.7193 -205953.8852 17683.2997 0.0000 0.0000 34167.8831 -149189.1929 298.3966 -183357.0761 -149088.9991 299.0867 -51.2861 -21.8314 558391.9724 -5.7416 -5.6273 LDB: ============= START OF LOAD BALANCING ============== 14879.9 LDB: ============== END OF LOAD BALANCING =============== 14879.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14879.9 LDB: ============= START OF LOAD BALANCING ============== 14880.2 LDB: Largest compute 4820 load 0.030024 is 25.4% of average load 0.118170 LDB: Average compute 0.001721 is 1.5% of average load 0.118170 LDB: TIME 14880.2 LOAD: AVG 0.11817 MAX 0.212981 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.16 MB LDB: TIME 14880.2 LOAD: AVG 0.11817 MAX 0.212981 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.164 MB LDB: TIME 14880.2 LOAD: AVG 0.11817 MAX 0.212981 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.164 MB LDB: ============== END OF LOAD BALANCING =============== 14880.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14880.2 PRESSURE: 4944400 -15.381 113.639 -19.5965 113.637 105.418 18.4331 -19.5967 18.4331 -235.456 GPRESSURE: 4944400 49.3485 71.5814 59.78 155.09 103.784 -0.925344 -73.097 -5.0886 -199.735 PRESSAVG: 4944400 15.4691 -17.4756 55.5045 -17.4757 68.8292 -52.9497 55.5046 -52.9498 -55.5653 GPRESSAVG: 4944400 15.1451 -17.0979 54.2345 -17.0341 67.7147 -52.1762 55.4414 -51.1147 -54.2625 TIMING: 4944400 CPU: 14877.1, 0.00308365/step Wall: 14877.1, 0.00308365/step, 0.0476252 hours remaining, 207.187500 MB of memory in use. ENERGY: 4944400 732.5799 2097.1916 1935.5153 117.3456 -206225.2809 17676.9533 0.0000 0.0000 34334.4671 -149331.2282 299.8514 -183665.6953 -149234.4885 299.0149 -48.4729 -15.5343 558433.1391 9.5776 9.5324 PRESSURE: 4944600 204.246 -25.7405 62.5749 -25.7395 172.566 116.692 62.5753 116.693 178.599 GPRESSURE: 4944600 231.955 17.7296 118.501 22.0129 208.865 87.9439 49.8222 96.5351 217.441 PRESSAVG: 4944600 23.5883 64.1061 -27.2473 64.1061 -67.4233 36.7085 -27.2472 36.7085 34.197 GPRESSAVG: 4944600 23.3261 64.2946 -28.893 62.5075 -66.3527 38.1092 -26.7642 35.3474 33.0203 TIMING: 4944600 CPU: 14877.7, 0.00302656/step Wall: 14877.7, 0.00302656/step, 0.0465753 hours remaining, 207.187500 MB of memory in use. ENERGY: 4944600 716.1570 2115.8492 1944.3738 111.2282 -206728.4153 18334.0593 0.0000 0.0000 34338.3084 -149168.4394 299.8850 -183506.7478 -149069.5865 299.6284 185.1369 219.4201 557119.1561 -3.2127 -3.3354 PRESSURE: 4944800 -207.571 -97.5425 -41.839 -97.5418 -99.2388 136.407 -41.8382 136.407 -194.061 GPRESSURE: 4944800 -195.66 -189.695 -39.8404 -22.6216 -79.8412 154.597 -53.2946 175.954 -123.53 PRESSAVG: 4944800 -13.865 18.0522 43.753 18.0521 -39.1006 -3.38702 43.753 -3.38709 52.0155 GPRESSAVG: 4944800 -13.8025 17.891 46.336 20.0312 -39.4079 -4.21241 42.0716 -2.62453 52.2313 TIMING: 4944800 CPU: 14878.3, 0.00303862/step Wall: 14878.3, 0.00303862/step, 0.0465922 hours remaining, 207.187500 MB of memory in use. ENERGY: 4944800 756.0408 2002.0799 1964.7441 118.0696 -205659.1993 17485.6306 0.0000 0.0000 34384.3124 -148948.3218 300.2868 -183332.6342 -148844.0040 300.0926 -166.9567 -133.0101 558882.0486 -0.3167 -0.3264 PRESSURE: 4945000 71.173 -122.418 136.882 -122.418 -0.727959 -69.304 136.882 -69.3045 261.365 GPRESSURE: 4945000 133.625 -50.777 55.7493 -125.49 1.64466 -56.6717 159.763 -29.8366 291.927 PRESSAVG: 4945000 0.0487598 11.1423 -0.745307 11.1421 -20.1808 8.8709 -0.745302 8.87095 8.97921 GPRESSAVG: 4945000 -0.0741486 11.0175 -1.23649 11.6838 -21.4579 8.55562 -0.494383 8.00603 9.62104 TIMING: 4945000 CPU: 14878.9, 0.00305326/step Wall: 14878.9, 0.00305326/step, 0.046647 hours remaining, 207.187500 MB of memory in use. ENERGY: 4945000 798.5327 2084.2691 1951.8068 118.7575 -206231.6096 18073.9201 0.0000 0.0000 34291.3768 -148912.9466 299.4751 -183204.3234 -148819.3280 299.8080 110.6032 142.3990 557371.4424 -3.7176 -3.9703 PRESSURE: 4945200 -114.86 -94.6963 79.5438 -94.6974 -165.543 -94.316 79.5434 -94.3168 102.918 GPRESSURE: 4945200 -30.6208 -149.761 109.278 -117.335 -126.565 -91.8616 133.167 -22.8861 70.4391 PRESSAVG: 4945200 -16.2696 -5.33526 -4.6397 -5.33531 -59.6908 17.8093 -4.63964 17.8091 101.814 GPRESSAVG: 4945200 -15.5411 -5.07379 -4.01072 -6.73383 -60.2921 17.1934 -4.51798 18.695 101.869 TIMING: 4945200 CPU: 14879.5, 0.00303262/step Wall: 14879.5, 0.00303262/step, 0.0461633 hours remaining, 207.187500 MB of memory in use. ENERGY: 4945200 761.5362 2015.6383 1927.7936 132.8022 -205902.2684 17795.7115 0.0000 0.0000 34228.1951 -149040.5914 298.9233 -183268.7865 -148941.1684 299.5490 -59.1620 -28.9157 558933.4686 8.6180 8.6786 PRESSURE: 4945400 -12.739 69.8316 134.03 69.8301 180.025 -21.4022 134.03 -21.4015 -5.43288 GPRESSURE: 4945400 14.285 38.0664 115.718 80.1979 185.53 -4.39441 57.9433 44.5153 53.5498 PRESSAVG: 4945400 -11.2457 -6.58602 40.0857 -6.58608 -56.7517 23.3618 40.0858 23.3618 82.9322 GPRESSAVG: 4945400 -11.3415 -5.92526 38.1505 -7.33711 -55.7675 24.584 40.4271 21.2714 82.5788 TIMING: 4945400 CPU: 14880.1, 0.00301181/step Wall: 14880.1, 0.00301181/step, 0.0456791 hours remaining, 207.187500 MB of memory in use. ENERGY: 4945400 741.9317 2075.4991 1944.4383 124.2611 -206112.5469 17864.5038 0.0000 0.0000 34135.7833 -149226.1295 298.1163 -183361.9129 -149128.0896 299.2889 53.9510 84.4550 558489.1932 4.9783 5.1566 PRESSURE: 4945600 -100.209 50.6558 76.9728 50.6565 -384.767 -61.9636 76.974 -61.9656 -5.43821 GPRESSURE: 4945600 -78.3234 30.4373 157.138 81.8158 -302.368 17.9937 127.564 -103.912 -10.1697 PRESSAVG: 4945600 -0.636431 42.3718 -9.34348 42.3718 -39.4484 5.56252 -9.34347 5.56238 25.1846 GPRESSAVG: 4945600 0.399342 41.6084 -9.08432 44.4303 -40.7437 5.86286 -7.9887 5.01633 25.3574 TIMING: 4945600 CPU: 14880.7, 0.00301192/step Wall: 14880.7, 0.00301192/step, 0.0455135 hours remaining, 207.187500 MB of memory in use. ENERGY: 4945600 717.2433 2090.5545 1955.0129 113.0368 -205608.7655 17496.9471 0.0000 0.0000 34050.1786 -149185.7922 297.3687 -183235.9708 -149084.8496 298.8716 -163.4715 -130.2870 558855.6875 -4.9667 -4.9956 PRESSURE: 4945800 -219.764 74.0352 -27.2168 74.0359 -104.469 -13.6607 -27.2162 -13.6621 -85.9294 GPRESSURE: 4945800 -147.978 119.481 -38.4246 -62.3485 -79.9068 -74.3564 -27.4366 0.153402 -78.0375 PRESSAVG: 4945800 -24.6432 -38.4253 -0.031012 -38.4252 20.9512 -28.7422 -0.0309996 -28.7423 -9.26636 GPRESSAVG: 4945800 -24.5081 -37.1241 0.847073 -39.5287 21.6633 -32.4574 -2.0686 -25.0359 -10.2045 TIMING: 4945800 CPU: 14881.3, 0.00301809/step Wall: 14881.3, 0.00301809/step, 0.045439 hours remaining, 207.187500 MB of memory in use. ENERGY: 4945800 742.9117 2127.4977 1961.2206 112.7167 -205887.2637 17673.8382 0.0000 0.0000 34107.9092 -149161.1698 297.8729 -183269.0789 -149069.1330 298.6568 -136.7211 -101.9741 558781.7109 -4.3195 -4.3498 PRESSURE: 4946000 73.5288 -277.111 93.7069 -277.112 -232.762 -59.2896 93.7061 -59.2894 -13.5423 GPRESSURE: 4946000 104.073 -209.856 84.6072 -275.632 -190.429 -73.7324 69.1235 70.4599 24.9208 PRESSAVG: 4946000 47.0256 -32.7995 9.80427 -32.7995 -40.1115 -38.8577 9.80427 -38.8577 3.22605 GPRESSAVG: 4946000 46.0631 -32.5648 7.80576 -33.4919 -39.5402 -35.4805 11.9702 -39.8066 3.51333 TIMING: 4946000 CPU: 14881.9, 0.00301835/step Wall: 14881.9, 0.00301835/step, 0.0452752 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: 4946000 750.7944 2119.8739 1952.1505 109.2264 -205779.9118 17747.7783 0.0000 0.0000 34084.3565 -149015.7318 297.6672 -183100.0883 -148916.9293 299.4336 -57.5917 -20.4782 559804.0595 3.3800 3.3454 PRESSURE: 4946200 -77.855 -113.193 23.3037 -113.193 -134.716 60.1599 23.3042 60.1603 -87.2594 GPRESSURE: 4946200 -67.3487 -304.833 25.0029 45.2511 -60.4815 72.2324 84.7291 17.5905 -62.5148 PRESSAVG: 4946200 -7.75337 16.0775 6.8228 16.0774 -33.6058 18.5211 6.82282 18.5212 32.0583 GPRESSAVG: 4946200 -7.75899 11.8759 8.68419 17.7349 -34.177 18.2485 5.96147 17.4788 32.7655 TIMING: 4946200 CPU: 14882.5, 0.00301981/step Wall: 14882.5, 0.00301981/step, 0.0451294 hours remaining, 207.187500 MB of memory in use. ENERGY: 4946200 757.9594 2078.5706 1961.7432 107.2206 -206118.0431 17828.8357 0.0000 0.0000 34482.7467 -148900.9670 301.1464 -183383.7137 -148802.7502 299.5735 -99.9435 -63.4483 558393.3240 -3.1003 -3.0568 PRESSURE: 4946400 -95.9611 -34.9169 104.281 -34.9169 117.394 194.362 104.279 194.361 -41.5939 GPRESSURE: 4946400 -92.7421 -78.7839 130.356 -9.71063 175.551 179.695 93.5247 195.388 1.63149 PRESSAVG: 4946400 6.21443 -23.2472 -12.1302 -23.2473 32.6098 44.6512 -12.1303 44.651 11.085 GPRESSAVG: 4946400 5.34788 -20.1558 -14.5474 -23.7673 34.5775 43.2919 -12.8361 45.9036 9.86433 TIMING: 4946400 CPU: 14883.1, 0.00300597/step Wall: 14883.1, 0.00300597/step, 0.0447555 hours remaining, 207.187500 MB of memory in use. ENERGY: 4946400 772.5523 2107.0240 1968.6729 118.3686 -206125.8302 17812.2273 0.0000 0.0000 34248.8043 -149098.1807 299.1033 -183346.9850 -149005.7898 300.3638 -6.7203 28.1469 557636.7638 16.6364 16.5966 PRESSURE: 4946600 -110.874 36.0337 64.3548 36.0348 -95.8052 115.9 64.3549 115.901 -31.351 GPRESSURE: 4946600 -100.624 -3.13397 35.5592 43.5125 -90.878 123.276 128.522 95.1648 55.952 PRESSAVG: 4946600 -90.363 -2.68148 30.4067 -2.68149 -2.10032 3.34248 30.4066 3.34248 46.3379 GPRESSAVG: 4946600 -90.2502 -3.80784 34.2105 -4.16361 -3.55162 3.57868 30.4553 3.17731 47.7325 TIMING: 4946600 CPU: 14883.8, 0.00301016/step Wall: 14883.8, 0.00301016/step, 0.0446507 hours remaining, 207.187500 MB of memory in use. ENERGY: 4946600 765.4336 2104.4588 1957.2490 112.4079 -206176.9562 17834.4141 0.0000 0.0000 34509.0747 -148893.9181 301.3763 -183402.9928 -148798.0413 300.3867 -79.3434 -45.1834 557521.0265 -15.3751 -15.3564 PRESSURE: 4946800 9.89847 53.8515 -72.761 53.8496 193.647 4.65062 -72.7613 4.64971 290.303 GPRESSURE: 4946800 44.2682 100.919 -172.59 26.3341 240.606 41.9363 -18.0715 9.05619 313.619 PRESSAVG: 4946800 -14.0288 -7.8255 32.1747 -7.82554 5.58457 -5.39196 32.1748 -5.39197 46.8069 GPRESSAVG: 4946800 -13.3743 -7.33255 32.0631 -6.67367 6.02992 -3.97523 31.7005 -6.64198 45.8372 TIMING: 4946800 CPU: 14884.4, 0.00302333/step Wall: 14884.4, 0.00302333/step, 0.0446781 hours remaining, 207.187500 MB of memory in use. ENERGY: 4946800 789.6651 2104.9900 1982.8096 116.9052 -206481.8912 18063.9755 0.0000 0.0000 34446.6103 -148976.9356 300.8308 -183423.5459 -148876.3647 301.0472 164.6163 199.4978 557782.1606 12.7876 12.8309 PRESSURE: 4947000 -200.92 -96.7595 50.0436 -96.7583 70.5723 -22.1751 50.0435 -22.1747 30.3349 GPRESSURE: 4947000 -100.017 18.7039 26.0115 -141.537 74.8096 31.1842 44.5003 -116.851 25.7938 PRESSAVG: 4947000 -10.4727 35.9647 -15.3844 35.9647 -77.3546 12.8973 -15.3845 12.8973 74.0286 GPRESSAVG: 4947000 -10.9977 35.4997 -18.6675 37.8365 -77.4621 12.883 -13.4879 10.4669 74.6831 TIMING: 4947000 CPU: 14885, 0.00301006/step Wall: 14885, 0.00301006/step, 0.0443148 hours remaining, 207.187500 MB of memory in use. ENERGY: 4947000 792.5683 2070.3626 1956.5431 122.5342 -206158.6330 17903.4630 0.0000 0.0000 34286.2876 -149026.8743 299.4307 -183313.1618 -148934.3236 300.6621 -33.3377 0.1956 560282.5761 -4.5996 -4.5922 PRESSURE: 4947200 -210.222 -74.7288 4.62773 -74.7286 -215.645 17.1189 4.62835 17.1209 -348.004 GPRESSURE: 4947200 -102.914 -132.98 16.3138 -39.4101 -257.288 -29.2033 28.1608 96.0246 -303.533 PRESSAVG: 4947200 -9.10345 7.5856 12.7427 7.58561 11.3263 -12.178 12.7427 -12.1782 -21.7018 GPRESSAVG: 4947200 -8.34612 8.14607 14.5777 5.1234 10.2475 -13.2071 13.596 -11.0622 -21.2593 TIMING: 4947200 CPU: 14885.6, 0.00301851/step Wall: 14885.6, 0.00301851/step, 0.0442714 hours remaining, 207.187500 MB of memory in use. ENERGY: 4947200 794.5095 2133.0253 1963.3186 113.8873 -206108.9519 17637.0451 0.0000 0.0000 34244.8852 -149222.2809 299.0691 -183467.1661 -149127.5686 299.3441 -257.9571 -221.2448 559221.3847 -6.4930 -6.4526 PRESSURE: 4947400 172.158 -29.6235 -78.8808 -29.623 80.0023 -5.82426 -78.8807 -5.82422 242.065 GPRESSURE: 4947400 198.208 -81.5575 -28.178 11.7326 127.266 112.919 -13.2116 -38.0115 285.644 PRESSAVG: 4947400 -22.8342 25.5257 2.11108 25.5257 -28.0987 -10.1181 2.11101 -10.1181 19.0015 GPRESSAVG: 4947400 -22.9132 24.5769 3.24483 27.0108 -26.6539 -9.72643 0.0614687 -9.49615 17.3705 TIMING: 4947400 CPU: 14886.2, 0.00301286/step Wall: 14886.2, 0.00301286/step, 0.0440212 hours remaining, 207.187500 MB of memory in use. ENERGY: 4947400 724.9808 2074.8723 1958.6923 117.8617 -206277.9260 17930.9220 0.0000 0.0000 34193.7373 -149276.8595 298.6224 -183470.5968 -149176.8779 298.8855 164.7418 203.7060 556425.5492 -10.6438 -10.7322 PRESSURE: 4947600 21.5936 -0.724438 -3.23827 -0.724616 -10.3789 92.4193 -3.23922 92.4197 62.7372 GPRESSURE: 4947600 57.1486 40.4929 20.3399 40.8186 43.8654 106.896 -41.9646 97.0537 87.6884 PRESSAVG: 4947600 -5.12572 -53.8612 25.7784 -53.8611 -8.93393 0.533815 25.7784 0.533846 7.44556 GPRESSAVG: 4947600 -5.16102 -54.0776 24.8288 -54.5715 -8.82425 -0.422525 26.8633 1.92756 6.94741 TIMING: 4947600 CPU: 14886.8, 0.0030463/step Wall: 14886.8, 0.0030463/step, 0.0443405 hours remaining, 207.187500 MB of memory in use. ENERGY: 4947600 740.3763 2087.6036 1936.3308 128.7315 -206206.2958 17863.3890 0.0000 0.0000 34313.3542 -149136.5104 299.6671 -183449.8646 -149036.4410 299.2095 24.6506 62.9008 557722.4163 -2.2047 -2.3460 PRESSURE: 4947800 73.1675 53.5746 114.815 53.5753 -70.6916 -85.1396 114.815 -85.1391 48.5375 GPRESSURE: 4947800 44.5066 83.2384 40.8807 -56.7535 -19.6494 -191.517 117.66 -2.45797 118.656 PRESSAVG: 4947800 -9.14606 -27.2642 3.26775 -27.2642 6.68725 -2.69226 3.2678 -2.69227 9.42754 GPRESSAVG: 4947800 -9.99779 -25.9117 3.20917 -28.3939 6.62212 -1.73944 3.0487 -2.85518 10.1519 TIMING: 4947800 CPU: 14887.4, 0.00303479/step Wall: 14887.4, 0.00303479/step, 0.0440044 hours remaining, 207.187500 MB of memory in use. ENERGY: 4947800 769.6343 2082.1684 1950.7947 115.6948 -206041.1775 17781.2857 0.0000 0.0000 34116.1540 -149225.4457 297.9449 -183341.5996 -149125.0691 299.7292 17.0045 47.8379 557449.2193 2.3229 2.2587 PRESSURE: 4948000 -253.282 6.13789 10.4426 6.13614 -82.3652 -50.0744 10.4419 -50.0734 270.746 GPRESSURE: 4948000 -257.843 -2.49509 5.75339 -8.04876 -9.22637 17.4483 -4.6998 -96.9209 304.554 PRESSAVG: 4948000 -6.22475 9.10242 15.5786 9.10252 -15.7726 -34.9249 15.5786 -34.9249 49.5834 GPRESSAVG: 4948000 -6.80322 9.29168 14.9639 10.5379 -16.2979 -36.7328 17.3714 -36.571 50.0174 TIMING: 4948000 CPU: 14888, 0.00304964/step Wall: 14888, 0.00304964/step, 0.0440504 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: 4948000 741.6100 2116.1604 1946.3690 111.3076 -206128.6624 17897.1634 0.0000 0.0000 34127.9381 -149188.1140 298.0478 -183316.0521 -149090.6984 299.0068 -21.6338 12.4949 559290.5062 9.1953 8.9721 PRESSURE: 4948200 -98.2625 131.761 -268.221 131.762 96.0346 55.6748 -268.22 55.6751 -18.5662 GPRESSURE: 4948200 -88.1388 11.5605 -254.927 133.214 144.711 -35.2625 -238.039 39.4367 8.41513 PRESSAVG: 4948200 -29.2666 -38.5232 -9.70792 -38.5232 8.66634 -5.08421 -9.70791 -5.08432 16.8707 GPRESSAVG: 4948200 -29.4572 -39.3602 -7.41513 -40.4397 7.99884 -4.70637 -11.7499 -5.18746 17.4948 TIMING: 4948200 CPU: 14888.6, 0.00305687/step Wall: 14888.6, 0.00305687/step, 0.0439849 hours remaining, 207.187500 MB of memory in use. ENERGY: 4948200 768.8610 2063.5190 1955.6559 100.3385 -206204.7070 17887.1691 0.0000 0.0000 34360.2614 -149068.9021 300.0767 -183429.1634 -148970.2357 298.9806 -6.9314 21.6625 558400.0750 -1.2432 -1.3212 LDB: ============= START OF LOAD BALANCING ============== 14892 LDB: ============== END OF LOAD BALANCING =============== 14892 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14892 LDB: ============= START OF LOAD BALANCING ============== 14892.3 LDB: Largest compute 4820 load 0.029418 is 24.9% of average load 0.118259 LDB: Average compute 0.001719 is 1.5% of average load 0.118259 LDB: TIME 14892.3 LOAD: AVG 0.118259 MAX 0.215676 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.188 MB LDB: TIME 14892.3 LOAD: AVG 0.118259 MAX 0.215676 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.391 MB LDB: TIME 14892.3 LOAD: AVG 0.118259 MAX 0.215676 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.391 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14892.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14892.3 PRESSURE: 4948400 -75.2016 46.1743 -154.478 46.1742 1.3843 -15.5863 -154.478 -15.5872 -70.9107 GPRESSURE: 4948400 -39.5371 -41.1888 -144.046 51.6621 33.901 -19.4158 -183.233 -13.4178 -56.4229 PRESSAVG: 4948400 6.64213 -25.0313 -1.90634 -25.0312 36.3236 -31.4738 -1.90632 -31.4738 36.6601 GPRESSAVG: 4948400 7.89939 -25.3233 -3.91229 -23.7562 35.9278 -31.2811 1.30585 -31.9897 35.6672 TIMING: 4948400 CPU: 14889.2, 0.00307052/step Wall: 14889.2, 0.00307052/step, 0.0440108 hours remaining, 207.957031 MB of memory in use. ENERGY: 4948400 752.6493 2091.0003 1951.9065 119.2597 -206223.7632 17870.3643 0.0000 0.0000 34430.3107 -149008.2724 300.6885 -183438.5830 -148906.6637 300.0966 -48.2427 -20.6864 558373.8788 26.5419 26.4981 PRESSURE: 4948600 104.995 41.5841 -211.246 41.5856 142.545 224.168 -211.246 224.168 54.2737 GPRESSURE: 4948600 165.025 -11.6581 -264.848 15.1664 114.93 208.022 -172.369 235.197 109.247 PRESSAVG: 4948600 3.51478 31.6934 -76.1139 31.6935 -15.2555 14.5448 -76.1139 14.5446 -42.3925 GPRESSAVG: 4948600 2.98056 33.0253 -76.3091 29.2299 -15.0346 14.6466 -77.0829 15.1833 -42.1694 TIMING: 4948600 CPU: 14889.8, 0.00302345/step Wall: 14889.8, 0.00302345/step, 0.0431682 hours remaining, 208.027344 MB of memory in use. ENERGY: 4948600 731.6340 2074.4608 1952.1814 114.2718 -206118.6270 18015.7669 0.0000 0.0000 34324.3358 -148905.9762 299.7630 -183230.3121 -148812.3353 299.9965 100.6045 129.7339 557014.4209 -18.0444 -18.0745 PRESSURE: 4948800 -245.496 92.3815 -155.506 92.3809 -281.268 99.4765 -155.507 99.4768 -13.7032 GPRESSURE: 4948800 -155.952 36.777 -180.876 28.8782 -250.977 126.358 -167.327 101.332 -33.7763 PRESSAVG: 4948800 -20.2505 3.34283 -57.772 3.34275 32.7603 66.5445 -57.772 66.5445 12.2815 GPRESSAVG: 4948800 -20.5507 1.8877 -59.2325 5.60023 33.1158 63.9751 -58.7823 68.2401 12.1721 TIMING: 4948800 CPU: 14890.4, 0.00301511/step Wall: 14890.4, 0.00301511/step, 0.0428815 hours remaining, 208.027344 MB of memory in use. ENERGY: 4948800 750.3350 2130.2937 1945.3253 123.0193 -205772.7104 17557.1984 0.0000 0.0000 34330.8501 -148935.6886 299.8199 -183266.5387 -148838.0483 299.9648 -180.1558 -146.9017 556415.9410 8.2638 8.2457 PRESSURE: 4949000 100.681 -143.424 -36.8723 -143.424 -218.109 12.6982 -36.8727 12.6984 98.9259 GPRESSURE: 4949000 156.492 -185.701 -4.19693 -66.7732 -244.046 69.6639 -97.3907 25.6826 150.908 PRESSAVG: 4949000 -20.4752 -22.7984 -49.8646 -22.7985 -4.21471 61.4675 -49.8646 61.4676 51.2828 GPRESSAVG: 4949000 -19.4445 -20.7388 -48.707 -23.7588 -5.20246 65.9248 -50.2862 61.4555 51.4106 TIMING: 4949000 CPU: 14891, 0.00302849/step Wall: 14891, 0.00302849/step, 0.0429036 hours remaining, 208.027344 MB of memory in use. ENERGY: 4949000 742.3060 2093.1026 1969.8843 118.1902 -206263.2387 17788.1138 0.0000 0.0000 34505.9838 -149045.6581 301.3493 -183551.6419 -148941.7458 299.9521 -6.1676 21.1180 556894.5338 8.8643 8.9212 PRESSURE: 4949200 -76.7138 126.119 -189.886 126.119 63.8162 75.5689 -189.887 75.5685 -290.887 GPRESSURE: 4949200 -25.2889 206.489 -166.853 120.024 81.7031 153.198 -157.597 74.9152 -270.783 PRESSAVG: 4949200 -13.5513 -13.5235 -46.942 -13.5234 18.5135 -15.6316 -46.9421 -15.6316 37.0949 GPRESSAVG: 4949200 -13.8564 -15.0956 -45.8372 -12.4471 18.8285 -16.8962 -45.8575 -17.0637 37.1946 TIMING: 4949200 CPU: 14891.6, 0.00304897/step Wall: 14891.6, 0.00304897/step, 0.0430243 hours remaining, 208.027344 MB of memory in use. ENERGY: 4949200 746.6496 2082.4023 1920.4536 127.1452 -206003.1933 17667.1403 0.0000 0.0000 34330.5346 -149128.8678 299.8171 -183459.4023 -149040.4828 300.0332 -101.2616 -71.4563 557750.7736 14.0190 14.0556 PRESSURE: 4949400 -35.3538 35.7883 120.979 35.7878 -12.5521 -89.4253 120.979 -89.4247 83.6736 GPRESSURE: 4949400 19.8463 26.932 92.2912 20.3962 -26.2529 -144.201 117.57 -27.2527 125.612 PRESSAVG: 4949400 -9.24532 -24.9248 40.473 -24.9247 32.6751 -12.4307 40.473 -12.4306 -37.7373 GPRESSAVG: 4949400 -8.98139 -26.2155 42.2425 -23.2832 33.4564 -11.7712 41.0472 -13.6134 -38.7622 TIMING: 4949400 CPU: 14892.2, 0.00301957/step Wall: 14892.2, 0.00301957/step, 0.0424417 hours remaining, 208.027344 MB of memory in use. ENERGY: 4949400 762.9092 2114.8937 1928.8482 109.4038 -206219.2857 17973.6500 0.0000 0.0000 34180.9043 -149148.6764 298.5103 -183329.5808 -149051.5998 299.6750 11.9226 39.7352 558541.9027 -4.7692 -4.7624 PRESSURE: 4949600 15.7659 -9.51615 97.0023 -9.51557 65.9085 6.42014 97.003 6.41892 218.719 GPRESSURE: 4949600 -9.09042 29.9612 147.559 -33.7907 93.825 -22.6728 19.4864 -29.4172 311.413 PRESSAVG: 4949600 -4.56766 -6.87898 3.3224 -6.87892 -54.8493 13.2107 3.32236 13.2107 66.7632 GPRESSAVG: 4949600 -5.59031 -6.97401 1.01329 -7.88759 -54.7962 9.73814 4.07627 14.6505 68.6152 TIMING: 4949600 CPU: 14892.8, 0.00303484/step Wall: 14892.8, 0.00303484/step, 0.0424877 hours remaining, 208.027344 MB of memory in use. ENERGY: 4949600 668.4247 2141.8162 1968.2336 109.7197 -206034.2948 17807.4721 0.0000 0.0000 34382.9498 -148955.6787 300.2749 -183338.6285 -148864.9750 299.2636 100.1310 132.0493 558510.6498 2.4488 2.7429 PRESSURE: 4949800 130.201 30.5572 107.935 30.557 -187.856 161.622 107.935 161.621 33.4432 GPRESSURE: 4949800 121.453 2.31869 134.951 48.0275 -141.769 78.2655 65.6187 130.122 101.948 PRESSAVG: 4949800 -22.0787 28.8116 -40.8334 28.8116 14.1532 26.5365 -40.8335 26.5365 -16.7357 GPRESSAVG: 4949800 -22.4894 29.8234 -39.6511 28.4585 14.6607 28.4439 -42.9421 26.2064 -17.2725 TIMING: 4949800 CPU: 14893.5, 0.00303499/step Wall: 14893.5, 0.00303499/step, 0.0423212 hours remaining, 208.027344 MB of memory in use. ENERGY: 4949800 720.1387 2110.0351 1960.0501 106.3621 -205910.8732 17746.1648 0.0000 0.0000 34295.9388 -148972.1835 299.5150 -183268.1223 -148871.2798 300.2962 -8.0707 27.2108 557681.7698 -8.2204 -8.3671 PRESSURE: 4950000 97.8188 103.825 -43.47 103.826 300.944 -90.6688 -43.4702 -90.6688 233.589 GPRESSURE: 4950000 156.552 87.8755 -29.9736 70.8543 340.582 -53.0482 -23.1539 -65.9211 232.619 PRESSAVG: 4950000 -31.8933 -9.40924 19.3589 -9.40928 21.3902 -21.041 19.359 -21.0409 18.1359 GPRESSAVG: 4950000 -31.7002 -7.77377 18.9008 -11.2803 20.8364 -20.631 20.277 -20.3807 18.4145 TIMING: 4950000 CPU: 14894.1, 0.00302646/step Wall: 14894.1, 0.00302646/step, 0.0420342 hours remaining, 208.027344 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: 4950000 751.0519 2119.7637 1933.5633 117.6381 -206222.6321 17962.8787 0.0000 0.0000 34417.0543 -148920.6822 300.5727 -183337.7365 -148831.7452 299.8715 210.7838 243.2513 555790.5037 2.5443 2.5169 PRESSURE: 4950200 -62.9663 -59.7099 -79.9385 -59.71 -43.0607 116.028 -79.939 116.028 -151.878 GPRESSURE: 4950200 3.67914 -6.94165 -46.0843 -5.13288 -54.4279 92.3289 -64.2402 185.517 -118.012 PRESSAVG: 4950200 -12.6127 19.4358 9.00891 19.4359 3.46388 24.1821 9.00895 24.1821 -18.9405 GPRESSAVG: 4950200 -12.2718 18.0982 8.50431 21.1381 3.57154 23.877 7.83327 24.0604 -19.9049 TIMING: 4950200 CPU: 14894.7, 0.00301579/step Wall: 14894.7, 0.00301579/step, 0.0417185 hours remaining, 208.027344 MB of memory in use. ENERGY: 4950200 721.6421 2098.1952 1957.8491 98.7784 -205770.5182 17677.4820 0.0000 0.0000 34338.9338 -148877.6376 299.8904 -183216.5714 -148780.3434 300.5247 -85.9684 -56.2537 557031.0462 -9.3631 -9.5350 PRESSURE: 4950400 -123.207 -81.0787 -147.401 -81.0792 -229.589 31.1527 -147.4 31.1511 -95.4707 GPRESSURE: 4950400 -64.7646 -111.35 -158.158 -91.8847 -233.269 -21.4932 -137.292 8.23406 -57.384 PRESSAVG: 4950400 19.8126 30.9824 -17.8056 30.9824 -87.4747 27.62 -17.8055 27.6201 43.4566 GPRESSAVG: 4950400 20.2664 32.1508 -17.2949 29.2897 -87.6708 28.4648 -17.4848 25.6238 43.0253 TIMING: 4950400 CPU: 14895.3, 0.00302786/step Wall: 14895.3, 0.00302786/step, 0.0417171 hours remaining, 208.027344 MB of memory in use. ENERGY: 4950400 715.0245 2069.3715 1962.9295 114.3163 -205529.8939 17533.4728 0.0000 0.0000 34272.8780 -148861.9013 299.3136 -183134.7793 -148761.7610 300.1661 -149.4222 -118.4724 558622.6700 -8.0685 -8.1264 PRESSURE: 4950600 289.149 278.174 -22.0959 278.173 151.798 -46.4291 -22.0967 -46.4293 104.332 GPRESSURE: 4950600 265.125 260.382 34.515 321.396 193.903 -2.60809 -64.2826 -68.133 179.798 PRESSAVG: 4950600 29.736 34.2413 -51.2859 34.2413 -14.4916 -29.1125 -51.286 -29.1125 -4.23716 GPRESSAVG: 4950600 29.1706 32.2623 -51.2315 36.6296 -14.7982 -32.5628 -51.5367 -24.2593 -3.0808 TIMING: 4950600 CPU: 14895.9, 0.00301902/step Wall: 14895.9, 0.00301902/step, 0.0414277 hours remaining, 208.027344 MB of memory in use. ENERGY: 4950600 753.5847 2118.3776 1919.9727 127.5390 -206047.7962 17929.5559 0.0000 0.0000 34331.2822 -148867.4842 299.8236 -183198.7664 -148767.8906 299.8000 181.7596 212.9420 557257.5782 3.6691 3.7639 PRESSURE: 4950800 -17.9497 92.4194 -53.6736 92.419 -182.315 -1.85658 -53.6737 -1.85513 1.53264 GPRESSURE: 4950800 37.7641 66.1354 -137.996 65.3568 -169.828 -3.89848 11.8541 43.6957 22.801 PRESSAVG: 4950800 -11.8479 36.5895 -23.2102 36.5895 12.4635 -32.9308 -23.2102 -32.9309 -27.2771 GPRESSAVG: 4950800 -12.5386 39.4997 -22.0329 36.7306 12.5121 -28.781 -23.772 -35.6389 -26.7931 TIMING: 4950800 CPU: 14896.5, 0.00300772/step Wall: 14896.5, 0.00300772/step, 0.0411055 hours remaining, 208.027344 MB of memory in use. ENERGY: 4950800 775.3814 2074.3518 1938.8144 131.1010 -205945.7112 17816.7312 0.0000 0.0000 34246.8960 -148962.4355 299.0867 -183209.3314 -148864.1813 300.0347 -66.2439 -36.4211 558187.4067 -8.8872 -8.9399 PRESSURE: 4951000 73.5296 -150.311 -11.2264 -150.31 -15.7113 -87.4335 -11.227 -87.4326 -143.421 GPRESSURE: 4951000 138.472 -137.877 -2.55056 -180.736 23.3127 -85.8882 -11.321 -97.02 -141.54 PRESSAVG: 4951000 10.8215 24.9558 -11.7881 24.9559 15.8721 -57.3431 -11.7882 -57.3432 -5.70316 GPRESSAVG: 4951000 12.2494 22.8741 -12.1779 23.5475 15.7508 -59.69 -12.4942 -56.107 -6.29266 TIMING: 4951000 CPU: 14897.1, 0.00298/step Wall: 14897.1, 0.00298/step, 0.040561 hours remaining, 208.027344 MB of memory in use. ENERGY: 4951000 754.3119 2068.9291 1963.3088 119.5408 -206198.9984 17906.8996 0.0000 0.0000 34442.4937 -148943.5144 300.7949 -183386.0081 -148846.4036 300.3257 -28.5344 6.7484 559228.9516 6.9968 7.2358 PRESSURE: 4951200 -117.566 -193.179 -6.57198 -193.18 -118.115 -111.817 -6.5721 -111.818 -99.1027 GPRESSURE: 4951200 -109.294 -129.092 -62.1671 -162.01 -85.2495 -70.7248 -0.678287 -170.211 -41.9771 PRESSAVG: 4951200 -37.3124 -26.3524 33.3693 -26.3524 15.3638 0.442044 33.3693 0.441957 48.7334 GPRESSAVG: 4951200 -37.8312 -24.8987 32.1748 -26.285 16.4625 1.88666 33.6735 -1.61015 48.8361 TIMING: 4951200 CPU: 14897.7, 0.00301372/step Wall: 14897.7, 0.00301372/step, 0.0408527 hours remaining, 208.027344 MB of memory in use. ENERGY: 4951200 780.2875 2130.0624 1933.8349 125.6105 -206136.2928 17770.0164 0.0000 0.0000 34339.3167 -149057.1644 299.8938 -183396.4811 -148971.4912 299.5254 -111.5947 -78.8403 558864.7759 8.9283 9.1558 PRESSURE: 4951400 -121.794 133.306 99.2137 133.306 -106.646 55.2442 99.2141 55.2427 -132.892 GPRESSURE: 4951400 -68.0449 48.2975 132.118 123.334 -146.355 50.7035 127.849 82.1824 -40.3344 PRESSAVG: 4951400 13.4418 -12.8507 63.2235 -12.8506 -17.9425 -16.8305 63.2234 -16.8304 29.088 GPRESSAVG: 4951400 13.5242 -13.68 64.3097 -13.3032 -18.5368 -16.1914 62.7098 -17.2743 30.1148 TIMING: 4951400 CPU: 14898.3, 0.00302122/step Wall: 14898.3, 0.00302122/step, 0.0407864 hours remaining, 208.027344 MB of memory in use. ENERGY: 4951400 731.1420 2067.5098 1966.0546 117.1031 -205565.2560 17493.4303 0.0000 0.0000 34378.8374 -148811.1788 300.2389 -183190.0162 -148718.8868 299.9085 -120.4443 -84.9114 557383.8310 8.1958 8.3674 PRESSURE: 4951600 -5.80133 4.26456 0.507369 4.26442 155.55 -75.9076 0.508244 -75.9087 7.94685 GPRESSURE: 4951600 20.3842 36.3937 14.7684 -17.1584 168.651 -22.5165 25.0318 -99.9104 51.4615 PRESSAVG: 4951600 -27.1639 -11.9438 50.044 -11.9438 -10.6491 40.0375 50.044 40.0377 -5.49402 GPRESSAVG: 4951600 -27.4534 -9.28285 48.4144 -13.5158 -9.95989 39.6168 51.862 42.242 -6.03455 TIMING: 4951600 CPU: 14898.9, 0.00303016/step Wall: 14898.9, 0.00303016/step, 0.0407388 hours remaining, 208.035156 MB of memory in use. ENERGY: 4951600 721.0248 2076.6281 1934.8877 109.6906 -206099.2432 17828.5321 0.0000 0.0000 34548.3058 -148880.1740 301.7189 -183428.4799 -148780.5786 299.6276 52.5653 80.1657 557881.4765 -14.4357 -14.4826 PRESSURE: 4951800 -163.669 -175.823 35.0747 -175.823 -138.235 -16.6531 35.0743 -16.6521 -219.177 GPRESSURE: 4951800 -147.998 -132.002 25.0158 -192.211 -145.424 43.0043 43.3298 -74.2238 -122.529 PRESSAVG: 4951800 -19.4317 -2.7664 43.864 -2.76648 -37.7942 -22.112 43.8639 -22.112 36.551 GPRESSAVG: 4951800 -19.5918 -3.79912 43.9213 0.381514 -36.8548 -22.0526 41.7288 -22.678 36.028 TIMING: 4951800 CPU: 14899.5, 0.00305276/step Wall: 14899.5, 0.00305276/step, 0.0408731 hours remaining, 208.035156 MB of memory in use. ENERGY: 4951800 707.4992 2105.3466 1950.4553 106.8794 -205589.4758 17550.8081 0.0000 0.0000 34361.8561 -148806.6311 300.0906 -183168.4872 -148707.2210 299.6448 -173.6936 -138.6504 558065.6404 -6.8916 -6.8062 PRESSURE: 4952000 -163.904 -89.3623 29.6446 -89.362 -257.449 -54.7623 29.6457 -54.762 -182.595 GPRESSURE: 4952000 -102.783 -34.6778 -38.6002 -98.8553 -243.649 -71.3211 40.9743 -33.0093 -161.225 PRESSAVG: 4952000 12.3733 -15.8737 83.742 -15.8738 -36.9593 1.96971 83.7421 1.96957 34.9442 GPRESSAVG: 4952000 12.7422 -17.813 84.6242 -16.1258 -37.3843 1.12943 84.9653 1.97699 34.9915 TIMING: 4952000 CPU: 14900.1, 0.00304505/step Wall: 14900.1, 0.00304505/step, 0.0406007 hours remaining, 208.035156 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: 4952000 772.5840 2077.4694 1983.5102 108.5849 -205787.2988 17610.1391 0.0000 0.0000 34387.3975 -148847.6138 300.3137 -183235.0112 -148751.4055 300.3898 -201.3161 -169.2190 560052.2272 3.4528 3.4498 PRESSURE: 4952200 -139.008 -133.186 116.661 -133.185 -155.487 -213.798 116.661 -213.798 53.2505 GPRESSURE: 4952200 -122.12 -174.836 118.387 -150.69 -75.6862 -226.514 112.665 -141.697 68.8881 PRESSAVG: 4952200 -22.1897 -61.3904 19.4405 -61.3903 4.79911 38.9949 19.4404 38.995 3.88512 GPRESSAVG: 4952200 -23.5508 -61.9904 21.4813 -62.2357 5.84727 39.7513 19.2226 39.2405 4.82819 TIMING: 4952200 CPU: 14900.7, 0.00305309/step Wall: 14900.7, 0.00305309/step, 0.0405382 hours remaining, 208.035156 MB of memory in use. ENERGY: 4952200 741.8648 2082.2475 1966.5850 115.3680 -205903.3816 17661.7123 0.0000 0.0000 34454.3614 -148881.2426 300.8985 -183335.6040 -148782.2402 299.7841 -80.4148 -42.9726 557929.8817 -4.5018 -4.2918 LDB: ============= START OF LOAD BALANCING ============== 14904.2 LDB: ============== END OF LOAD BALANCING =============== 14904.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14904.2 LDB: ============= START OF LOAD BALANCING ============== 14904.5 LDB: Largest compute 4820 load 0.028638 is 24.2% of average load 0.118238 LDB: Average compute 0.001709 is 1.4% of average load 0.118238 LDB: TIME 14904.5 LOAD: AVG 0.118238 MAX 0.21688 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.508 MB LDB: TIME 14904.5 LOAD: AVG 0.118238 MAX 0.21688 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.715 MB LDB: TIME 14904.5 LOAD: AVG 0.118238 MAX 0.21688 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.715 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14904.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14904.5 PRESSURE: 4952400 5.86601 -21.0733 190.119 -21.0726 89.6846 -14.0888 190.119 -14.0883 162.344 GPRESSURE: 4952400 49.4646 -29.1016 137.126 -44.2516 62.8806 6.68962 219.31 29.1205 234.643 PRESSAVG: 4952400 15.2901 -40.3962 -17.9163 -40.3964 58.5095 21.7225 -17.9163 21.7225 -48.5334 GPRESSAVG: 4952400 17.04 -38.8308 -19.7851 -42.1012 56.8888 20.1163 -17.088 21.4516 -48.7448 TIMING: 4952400 CPU: 14901.3, 0.00312025/step Wall: 14901.3, 0.00312025/step, 0.0412566 hours remaining, 208.542969 MB of memory in use. ENERGY: 4952400 755.6585 2066.0330 1977.3838 99.4927 -206274.6935 17992.0064 0.0000 0.0000 34276.2007 -149107.9183 299.3426 -183384.1190 -149011.3790 299.6862 85.9647 115.6626 557814.5585 8.4221 8.3947 PRESSURE: 4952600 250.19 74.3025 -31.3274 74.3024 177.417 -9.03645 -31.3267 -9.03587 -111.621 GPRESSURE: 4952600 326.261 105.956 -75.2594 41.4505 189.741 -12.9754 -55.3368 -7.34242 -101.155 PRESSAVG: 4952600 12.448 -9.58618 2.35967 -9.58617 -14.0016 23.4635 2.35958 23.4635 0.542639 GPRESSAVG: 4952600 12.1557 -7.92908 2.17937 -7.8726 -13.2653 24.2475 2.69027 22.6191 0.240009 TIMING: 4952600 CPU: 14901.9, 0.00303241/step Wall: 14901.9, 0.00303241/step, 0.0399267 hours remaining, 208.906250 MB of memory in use. ENERGY: 4952600 757.7869 2089.9839 1943.5732 116.0514 -206155.5201 17993.4118 0.0000 0.0000 34256.7045 -148998.0084 299.1723 -183254.7128 -148905.7218 299.4593 105.3286 138.2822 558228.5411 -0.3370 -0.2899 PRESSURE: 4952800 352.171 -113.999 106.58 -114 117.592 69.3819 106.582 69.3806 99.4912 GPRESSURE: 4952800 355.632 -33.0529 67.1182 -97.7108 148.683 121.335 125.912 108.81 162.127 PRESSAVG: 4952800 52.8239 -52.4937 -28.6508 -52.4938 -34.0882 48.3028 -28.6508 48.303 -50.4208 GPRESSAVG: 4952800 51.018 -53.9009 -28.0137 -52.4155 -33.8049 47.8225 -28.1631 51.7466 -49.5236 TIMING: 4952800 CPU: 14902.6, 0.003073/step Wall: 14902.6, 0.003073/step, 0.0402904 hours remaining, 208.906250 MB of memory in use. ENERGY: 4952800 711.9225 2122.5642 1940.3253 125.4964 -206517.3181 18153.9379 0.0000 0.0000 34245.3438 -149217.7280 299.0731 -183463.0718 -149118.8772 299.1673 189.7515 222.1474 557606.3576 -10.5617 -10.7702 PRESSURE: 4953000 -201.457 44.5598 -43.1011 44.5596 -176.985 -223.025 -43.1015 -223.026 69.0227 GPRESSURE: 4953000 -139.815 114.017 -21.5992 50.5732 -148.35 -197.707 -45.1069 -155.521 82.1548 PRESSAVG: 4953000 14.1504 28.3877 -41.9468 28.3877 -48.9472 19.627 -41.9468 19.627 51.8905 GPRESSAVG: 4953000 15.8927 28.6741 -43.45 28.7697 -49.2373 20.0333 -41.7234 17.503 50.1659 TIMING: 4953000 CPU: 14903.2, 0.00300915/step Wall: 14903.2, 0.00300915/step, 0.0392861 hours remaining, 208.906250 MB of memory in use. ENERGY: 4953000 736.7843 2115.5420 1967.8268 112.1216 -205990.9787 17684.0280 0.0000 0.0000 34250.9958 -149123.6802 299.1225 -183374.6761 -149016.2729 299.2783 -103.1397 -68.6701 558980.9136 5.6979 5.6071 PRESSURE: 4953200 -79.8282 15.4958 152.411 15.4973 131.253 -37.5079 152.412 -37.5091 -5.76685 GPRESSURE: 4953200 -49.5897 49.1616 179.887 -24.3898 180.474 -67.2354 179.925 -52.3923 16.2178 PRESSAVG: 4953200 -22.9755 20.2042 -17.9711 20.2042 -16.5571 35.8211 -17.9711 35.8211 10.636 GPRESSAVG: 4953200 -23.5897 19.1791 -16.9592 18.7349 -15.6976 36.4196 -19.6001 36.2593 10.3951 TIMING: 4953200 CPU: 14903.8, 0.00302674/step Wall: 14903.8, 0.00302674/step, 0.0393476 hours remaining, 208.906250 MB of memory in use. ENERGY: 4953200 750.9511 2137.1878 1957.7014 115.6199 -206389.9061 17886.7432 0.0000 0.0000 34309.6991 -149232.0036 299.6351 -183541.7027 -149144.1758 298.7756 15.2193 49.0342 557917.5126 -9.6322 -9.6307 PRESSURE: 4953400 439.578 22.2229 -22.107 22.2234 -49.819 33.9927 -22.1084 33.992 10.8762 GPRESSURE: 4953400 396.057 -3.12691 -39.1068 86.043 17.6177 74.2114 65.9554 1.6068 73.2971 PRESSAVG: 4953400 -15.9323 38.7004 59.6003 38.7003 66.535 5.47476 59.6004 5.47485 -16.8138 GPRESSAVG: 4953400 -15.7274 38.3894 61.0321 38.7656 64.4677 5.49588 60.3074 5.51569 -14.8925 TIMING: 4953400 CPU: 14904.4, 0.00302463/step Wall: 14904.4, 0.00302463/step, 0.0391521 hours remaining, 208.906250 MB of memory in use. ENERGY: 4953400 703.6030 2080.7156 1970.7952 117.5465 -206095.8929 17792.8741 0.0000 0.0000 34369.6832 -149060.6754 300.1590 -183430.3586 -148965.2098 299.6890 133.5451 162.3239 557599.2422 11.2630 11.2826 PRESSURE: 4953600 196.439 31.2008 3.1336 31.2016 139.089 221.755 3.13247 221.754 -141.562 GPRESSURE: 4953600 201.306 46.6873 23.5752 84.7892 210.8 187.495 -39.9813 192.87 -123.542 PRESSAVG: 4953600 34.4146 -21.6155 -0.266036 -21.6153 -0.598857 -5.75346 -0.266121 -5.75357 -63.81 GPRESSAVG: 4953600 33.5816 -20.93 -2.04583 -20.0674 0.695649 -6.68476 -1.3393 -5.48007 -64.433 TIMING: 4953600 CPU: 14905, 0.00303089/step Wall: 14905, 0.00303089/step, 0.0390649 hours remaining, 208.906250 MB of memory in use. ENERGY: 4953600 712.9173 2081.5443 1960.9841 121.0086 -206040.0185 17899.9213 0.0000 0.0000 34085.1251 -149178.5179 297.6739 -183263.6429 -149084.2346 299.7262 64.6551 96.1882 557939.9267 -9.9981 -10.0519 PRESSURE: 4953800 -138.809 -64.0891 -146.065 -64.089 -0.0208268 6.14355 -146.066 6.14327 -224.134 GPRESSURE: 4953800 -64.9729 39.7893 -172.79 -96.4578 20.9684 43.8971 -131.865 23.5456 -230.842 PRESSAVG: 4953800 -14.6675 23.3001 24.6341 23.3001 88.8233 -2.08763 24.6341 -2.08766 -73.5896 GPRESSAVG: 4953800 -14.636 23.4782 25.0516 21.8124 88.5456 -2.81159 24.4901 -1.46025 -73.3337 TIMING: 4953800 CPU: 14905.6, 0.00301475/step Wall: 14905.6, 0.00301475/step, 0.0386893 hours remaining, 208.906250 MB of memory in use. ENERGY: 4953800 751.0430 2068.3620 1948.5456 119.1094 -206074.2673 17633.1300 0.0000 0.0000 34371.4460 -149182.6312 300.1744 -183554.0772 -149094.1325 299.4205 -120.9880 -91.6155 557094.4664 0.1887 0.1920 PRESSURE: 4954000 224.172 -128.572 61.65 -128.573 -103.202 -29.4473 61.6495 -29.445 -155.587 GPRESSURE: 4954000 226.758 -39.8658 98.1221 -110.467 -72.4184 -34.509 117.836 31.8444 -94.2824 PRESSAVG: 4954000 15.1891 -24.4862 1.16984 -24.4861 22.0139 8.34278 1.16976 8.34284 -35.6003 GPRESSAVG: 4954000 15.7224 -25.0886 1.50802 -23.7079 20.6969 8.1549 1.30635 9.40613 -35.1328 TIMING: 4954000 CPU: 14906.2, 0.00301632/step Wall: 14906.2, 0.00301632/step, 0.0385419 hours remaining, 208.929688 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: 4954000 718.1601 2075.6737 1958.2595 123.1993 -206233.6000 17806.0713 0.0000 0.0000 34408.1094 -149144.1267 300.4946 -183552.2361 -149051.7787 299.5509 -11.5392 20.0189 556413.8126 0.5342 0.4289 PRESSURE: 4954200 33.623 61.3322 134.303 61.3335 98.6018 22.1094 134.304 22.1114 113.517 GPRESSURE: 4954200 66.2359 41.608 90.6211 129.516 93.6493 -37.1399 27.6312 -41.5336 189.37 PRESSAVG: 4954200 15.0438 -16.0379 9.73704 -16.038 -2.52269 -54.3145 9.73708 -54.3145 -50.0469 GPRESSAVG: 4954200 14.4405 -13.5639 9.18127 -15.5917 -2.05233 -54.1111 10.2313 -57.2264 -50.0371 TIMING: 4954200 CPU: 14906.8, 0.00299795/step Wall: 14906.8, 0.00299795/step, 0.0381406 hours remaining, 208.929688 MB of memory in use. ENERGY: 4954200 774.3107 2056.8394 1921.7038 115.0276 -205843.5968 17925.5684 0.0000 0.0000 34194.7327 -148855.4142 298.6311 -183050.1468 -148754.1987 299.9490 81.9141 116.4185 556332.3205 -12.5086 -12.5496 PRESSURE: 4954400 -146.717 -233.21 120.122 -233.21 79.2716 -113.379 120.122 -113.377 258.623 GPRESSURE: 4954400 -114.262 -167.413 76.4694 -323.773 79.3815 -162.178 130.331 -80.7245 302.969 PRESSAVG: 4954400 48.4788 17.8665 -24.8121 17.8666 -4.35272 1.14767 -24.812 1.14756 9.59876 GPRESSAVG: 4954400 48.4136 16.3627 -26.4574 16.505 -3.81208 3.60875 -23.8481 0.34341 8.99619 TIMING: 4954400 CPU: 14907.4, 0.00300413/step Wall: 14907.4, 0.00300413/step, 0.0380523 hours remaining, 208.929688 MB of memory in use. ENERGY: 4954400 776.8241 2137.1050 1950.0637 116.7957 -206217.1044 17834.8255 0.0000 0.0000 34553.2058 -148848.2846 301.7617 -183401.4904 -148752.7683 300.2921 63.7260 89.3629 557053.0638 17.9083 17.8659 PRESSURE: 4954600 -58.6569 -84.4725 146.522 -84.4739 1.35867 103.748 146.522 103.749 115.432 GPRESSURE: 4954600 4.95275 -37.9915 172.869 -106.641 20.2875 130.088 74.3515 148.601 131.486 PRESSAVG: 4954600 38.097 -18.3426 41.9491 -18.3426 -20.4401 29.8491 41.9491 29.8492 -29.9562 GPRESSAVG: 4954600 39.5224 -16.5043 40.9758 -17.8411 -21.4421 29.2151 42.3574 30.9162 -30.4421 TIMING: 4954600 CPU: 14908, 0.00301791/step Wall: 14908, 0.00301791/step, 0.0380592 hours remaining, 208.929688 MB of memory in use. ENERGY: 4954600 737.6486 2104.6951 1962.9807 109.6935 -205808.4479 17730.0311 0.0000 0.0000 34176.6989 -148986.7000 298.4736 -183163.3989 -148886.1637 300.5182 19.3778 52.2420 558418.6652 -4.0998 -4.1206 PRESSURE: 4954800 -112.907 -50.3496 -34.0069 -50.3494 -305.197 116.773 -34.0079 116.773 -239.285 GPRESSURE: 4954800 -51.9616 -84.9327 7.11437 -57.5226 -300.37 175.337 24.8195 40.0131 -217.935 PRESSAVG: 4954800 19.2727 -16.8191 -1.25591 -16.8191 -80.7135 27.3714 -1.25582 27.3714 42.2922 GPRESSAVG: 4954800 18.6977 -20.3221 0.998716 -14.6857 -81.1338 28.0564 -1.42779 26.4115 42.9635 TIMING: 4954800 CPU: 14908.6, 0.00299874/step Wall: 14908.6, 0.00299874/step, 0.0376509 hours remaining, 208.929688 MB of memory in use. ENERGY: 4954800 740.5073 2030.7459 1964.0233 118.8460 -205140.7568 17148.9751 0.0000 0.0000 34170.2347 -148967.4245 298.4172 -183137.6593 -148859.7196 299.5694 -219.1295 -190.0891 557770.9698 -6.3829 -6.4909 PRESSURE: 4955000 131.552 13.5812 3.56262 13.58 -73.6046 87.6764 3.56257 87.6759 -145.465 GPRESSURE: 4955000 179.594 -18.8604 -37.8415 -24.2745 -38.6951 141.998 4.02279 68.9544 -119.002 PRESSAVG: 4955000 10.8615 -82.5277 13.2962 -82.5277 -11.4215 10.7775 13.2962 10.7774 -18.2676 GPRESSAVG: 4955000 10.7021 -79.9213 13.607 -85.0515 -11.0071 10.5887 11.7702 11.0946 -18.006 TIMING: 4955000 CPU: 14909.2, 0.00298703/step Wall: 14909.2, 0.00298703/step, 0.0373378 hours remaining, 208.929688 MB of memory in use. ENERGY: 4955000 746.8048 2099.7097 1949.7518 112.8098 -206281.8942 17898.6747 0.0000 0.0000 34531.6535 -148942.4899 301.5735 -183474.1434 -148844.9031 300.0045 -29.1725 7.2989 557826.5466 -6.2759 -6.1037 PRESSURE: 4955200 -28.7342 15.9744 -136.178 15.9742 -55.8398 -82.0443 -136.177 -82.0443 -157.781 GPRESSURE: 4955200 -23.6499 -56.8408 -99.718 38.0531 -10.1831 -47.9263 -130.778 -170.391 -119.338 PRESSAVG: 4955200 14.5555 -9.8342 -30.5121 -9.83423 25.2613 -32.3698 -30.5121 -32.3699 -42.6127 GPRESSAVG: 4955200 15.4541 -11.67 -30.4525 -7.93968 25.0622 -33.2439 -29.7792 -30.3856 -43.7975 TIMING: 4955200 CPU: 14909.8, 0.00297775/step Wall: 14909.8, 0.00297775/step, 0.0370564 hours remaining, 208.929688 MB of memory in use. ENERGY: 4955200 739.2660 2111.0755 1968.1412 121.8024 -205913.2988 17691.3401 0.0000 0.0000 34611.3460 -148670.3276 302.2695 -183281.6736 -148572.4233 300.3592 -80.7851 -51.0570 558420.9667 -0.9320 -1.0937 PRESSURE: 4955400 -283.4 -116.879 156.944 -116.878 -75.3051 -142.191 156.944 -142.19 -10.5917 GPRESSURE: 4955400 -262.952 -57.0494 121.832 -73.5148 -88.8766 -162.973 215.178 -91.2499 71.5576 PRESSAVG: 4955400 -37.1098 -14.3681 -13.9341 -14.3679 35.217 -122.089 -13.934 -122.089 -36.8949 GPRESSAVG: 4955400 -36.4182 -12.0754 -15.7719 -13.9834 34.7336 -120.143 -12.695 -122.856 -37.0026 TIMING: 4955400 CPU: 14910.4, 0.00297203/step Wall: 14910.4, 0.00297203/step, 0.0368202 hours remaining, 208.929688 MB of memory in use. ENERGY: 4955400 742.8218 2125.1092 1987.8642 113.8427 -205989.0695 17647.7836 0.0000 0.0000 34486.8318 -148884.8162 301.1821 -183371.6480 -148798.3997 301.1946 -123.0991 -93.4235 557332.7809 -12.9292 -12.8957 PRESSURE: 4955600 -364.135 3.48443 -162.694 3.48489 -157.348 -77.5527 -162.695 -77.5535 -146.571 GPRESSURE: 4955600 -353.61 -56.978 -253.425 78.8951 -201.314 -140.35 -145.664 -84.3379 -18.4358 PRESSAVG: 4955600 -24.1837 -81.1342 0.676926 -81.1342 7.29658 -78.4777 0.676922 -78.4777 -12.4986 GPRESSAVG: 4955600 -25.0655 -82.005 0.39316 -82.5277 8.40594 -78.6723 0.139612 -79.3257 -12.8102 TIMING: 4955600 CPU: 14911, 0.00300128/step Wall: 14911, 0.00300128/step, 0.0370158 hours remaining, 208.929688 MB of memory in use. ENERGY: 4955600 748.5026 2094.0494 1981.6360 107.9579 -205715.7503 17492.9884 0.0000 0.0000 34367.5148 -148923.1012 300.1401 -183290.6161 -148820.1570 300.8752 -222.6847 -191.1197 558813.9015 -9.7953 -9.8232 PRESSURE: 4955800 238.99 -40.9357 -96.5747 -40.9357 -80.539 165.475 -96.5758 165.476 246.927 GPRESSURE: 4955800 192.331 61.3574 -127.935 -94.9547 -29.5281 199.166 -92.9141 160.264 331.731 PRESSAVG: 4955800 54.2896 -42.7293 2.61001 -42.7293 -42.8797 -30.965 2.61012 -30.9649 25.8765 GPRESSAVG: 4955800 53.5497 -42.2082 2.45959 -43.8275 -43.3958 -31.9927 2.49588 -31.9531 27.0043 TIMING: 4955800 CPU: 14911.6, 0.0030315/step Wall: 14911.6, 0.0030315/step, 0.0372201 hours remaining, 208.929688 MB of memory in use. ENERGY: 4955800 761.4431 2053.9254 1958.2586 104.7152 -206112.5555 17858.9353 0.0000 0.0000 34240.2402 -149135.0377 299.0285 -183375.2779 -149039.1422 300.1853 135.1262 164.8447 557484.8544 12.4288 12.3861 PRESSURE: 4956000 -17.2677 9.17021 -90.3749 9.16953 22.5827 98.8013 -90.3741 98.8013 -182.963 GPRESSURE: 4956000 -6.96236 12.6611 -142.631 3.40722 71.5555 149.686 -0.234749 61.2573 -155.096 PRESSAVG: 4956000 8.22407 0.782001 29.1724 0.781923 -2.11765 -38.4012 29.1725 -38.4011 -1.95051 GPRESSAVG: 4956000 8.43397 1.86485 30.5543 0.493077 -0.720169 -37.8418 29.8322 -37.3147 -3.63876 TIMING: 4956000 CPU: 14912.2, 0.00301829/step Wall: 14912.2, 0.00301829/step, 0.0368902 hours remaining, 208.929688 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: 4956000 748.0829 2076.4852 1949.0023 112.0483 -205887.7814 17660.0531 0.0000 0.0000 34197.2917 -149144.8179 298.6535 -183342.1096 -149043.2949 298.9746 -59.2159 -30.1675 558633.0082 1.3853 1.3583 PRESSURE: 4956200 -119.217 7.11618 82.6751 7.11797 -70.0498 -28.626 82.6744 -28.6251 83.0199 GPRESSURE: 4956200 -63.1817 -64.1289 97.9804 -40.5872 -40.8291 -88.4078 79.9275 -11.282 106.284 PRESSAVG: 4956200 17.8383 -24.6978 12.6693 -24.6978 78.5129 4.18687 12.6692 4.18706 -6.32041 GPRESSAVG: 4956200 18.0423 -25.9514 13.2028 -21.4794 76.8898 3.34336 10.8448 4.73839 -5.28164 TIMING: 4956200 CPU: 14912.8, 0.00301575/step Wall: 14912.8, 0.00301575/step, 0.0366916 hours remaining, 208.929688 MB of memory in use. ENERGY: 4956200 762.5815 2009.3622 1943.4667 121.0515 -206090.6642 17810.0546 0.0000 0.0000 34213.1160 -149231.0318 298.7917 -183444.1478 -149144.2492 298.9618 -35.4158 0.7579 558181.5782 30.0103 29.8835 LDB: ============= START OF LOAD BALANCING ============== 14916.2 LDB: ============== END OF LOAD BALANCING =============== 14916.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14916.2 LDB: ============= START OF LOAD BALANCING ============== 14916.5 LDB: Largest compute 4820 load 0.030392 is 25.7% of average load 0.118269 LDB: Average compute 0.001720 is 1.5% of average load 0.118269 LDB: TIME 14916.5 LOAD: AVG 0.118269 MAX 0.213068 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.273 MB LDB: TIME 14916.5 LOAD: AVG 0.118269 MAX 0.213068 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.273 MB LDB: TIME 14916.5 LOAD: AVG 0.118269 MAX 0.213068 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.273 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14916.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14916.5 PRESSURE: 4956400 70.2977 49.5052 16.6335 49.5059 -195.279 -88.9857 16.6335 -88.9854 26.2451 GPRESSURE: 4956400 80.5579 143.299 89.219 -30.4105 -70.6204 26.4467 -20.2352 -161.101 -30.1151 PRESSAVG: 4956400 -8.97624 -32.8363 14.8205 -32.8362 47.4676 39.4199 14.8205 39.42 -8.0147 GPRESSAVG: 4956400 -8.93448 -31.061 12.1748 -36.5851 49.1279 40.0987 16.6731 38.2216 -9.57463 TIMING: 4956400 CPU: 14913.4, 0.00308833/step Wall: 14913.4, 0.00308833/step, 0.0374031 hours remaining, 206.761719 MB of memory in use. ENERGY: 4956400 733.6364 2069.2218 1968.6834 118.1418 -205545.4894 17561.3218 0.0000 0.0000 34064.5465 -149029.9376 297.4942 -183094.4842 -148935.9861 299.0771 -32.9120 -6.7259 558034.5687 10.1589 10.2063 PRESSURE: 4956600 -44.3374 -45.0636 142.192 -45.0629 311.047 52.6619 142.192 52.6614 362.787 GPRESSURE: 4956600 -43.6528 79.3772 20.7672 -139.111 379.678 74.5578 152.498 49.6702 398.736 PRESSAVG: 4956600 -27.7612 -67.7504 -34.5111 -67.7505 -32.7674 -42.9288 -34.511 -42.9289 35.1221 GPRESSAVG: 4956600 -28.4987 -70.0108 -34.1288 -65.2473 -33.6354 -42.2583 -35.9853 -42.2971 36.563 TIMING: 4956600 CPU: 14914, 0.00301814/step Wall: 14914, 0.00301814/step, 0.0363853 hours remaining, 206.761719 MB of memory in use. ENERGY: 4956600 703.5776 2046.3194 1968.6918 113.4836 -206339.4396 18079.3868 0.0000 0.0000 34402.1447 -149025.8355 300.4425 -183427.9803 -148928.1500 299.3038 209.8323 244.9204 557016.7182 -8.4689 -8.5237 PRESSURE: 4956800 -237.842 24.6741 -135.95 24.6723 -46.5156 15.8223 -135.95 15.8204 -252.759 GPRESSURE: 4956800 -183.648 2.45292 -140.261 53.2781 -12.6531 -2.80055 -71.9987 50.1037 -249.728 PRESSAVG: 4956800 8.47348 0.911661 -14.6283 0.91164 42.7224 -5.78394 -14.6282 -5.78391 -36.3072 GPRESSAVG: 4956800 7.73197 1.46445 -13.3056 0.41753 43.3969 -5.84931 -14.2458 -5.35288 -35.9442 TIMING: 4956800 CPU: 14914.6, 0.00302386/step Wall: 14914.6, 0.00302386/step, 0.0362863 hours remaining, 206.761719 MB of memory in use. ENERGY: 4956800 732.8895 2053.7752 1973.9150 114.8461 -205431.5976 17406.2401 0.0000 0.0000 33987.2389 -149162.6928 296.8190 -183149.9317 -149066.3915 299.2575 -179.0389 -148.6762 557733.0879 4.9629 5.0616 PRESSURE: 4957000 72.5377 -166.491 69.2425 -166.489 -120.795 65.5122 69.2425 65.5132 -361.537 GPRESSURE: 4957000 62.8915 -188.357 85.638 -134.454 -74.8996 105.203 77.0416 47.5591 -305.357 PRESSAVG: 4957000 27.4047 10.3669 -29.4704 10.3667 -17.2628 23.0887 -29.4703 23.0888 10.2714 GPRESSAVG: 4957000 29.2286 9.55214 -30.4603 13.1466 -17.8887 21.2485 -28.3024 23.8978 9.26048 TIMING: 4957000 CPU: 14915.2, 0.00303772/step Wall: 14915.2, 0.00303772/step, 0.0362838 hours remaining, 206.761719 MB of memory in use. ENERGY: 4957000 765.8251 2093.8685 1942.0024 127.3034 -205871.9839 17606.2103 0.0000 0.0000 34204.2569 -149132.5173 298.7143 -183336.7742 -149038.3972 299.4785 -136.5978 -105.7884 558202.3742 6.8044 6.8668 PRESSURE: 4957200 -217.597 131.994 -119.951 131.994 -1.13087 -112.077 -119.95 -112.077 -60.0481 GPRESSURE: 4957200 -154.888 111.264 -118.533 159.639 34.0311 -123.321 -95.4102 -64.5475 -73.6884 PRESSAVG: 4957200 55.8705 7.36671 11.3903 7.36671 24.2777 -28.0022 11.3904 -28.0023 -74.9403 GPRESSAVG: 4957200 53.4673 7.91531 11.4593 4.62035 25.619 -27.3764 11.1166 -29.1308 -74.1799 TIMING: 4957200 CPU: 14915.8, 0.00302384/step Wall: 14915.8, 0.00302384/step, 0.0359501 hours remaining, 206.761719 MB of memory in use. ENERGY: 4957200 752.5551 1984.3580 1921.4729 94.4708 -206052.5554 17835.1722 0.0000 0.0000 34224.2691 -149240.2572 298.8891 -183464.5263 -149137.6556 299.3394 -92.9253 -64.8483 559370.4097 1.7360 1.6355 PRESSURE: 4957400 -324.224 86.5968 -12.1828 86.5963 -233.441 58.8301 -12.1826 58.8298 -239.098 GPRESSURE: 4957400 -362.951 95.2162 -33.8789 136.46 -161.99 93.1334 79.5542 34.1471 -182.328 PRESSAVG: 4957400 15.9251 -27.124 -61.5331 -27.124 3.7317 -26.4878 -61.533 -26.4878 -35.4139 GPRESSAVG: 4957400 16.8268 -27.0216 -62.1918 -25.2872 2.80031 -24.9713 -62.1877 -26.0438 -35.4188 TIMING: 4957400 CPU: 14916.4, 0.00304295/step Wall: 14916.4, 0.00304295/step, 0.0360082 hours remaining, 206.761719 MB of memory in use. ENERGY: 4957400 791.5703 2067.1979 1965.1855 118.8790 -205879.1742 17472.8797 0.0000 0.0000 34327.2068 -149136.2550 299.7880 -183463.4618 -149040.3171 299.2100 -265.5876 -235.7561 559094.0961 -5.2524 -5.2639 PRESSURE: 4957600 -65.1204 152.004 -26.0538 152.003 -224.452 -189.22 -26.0543 -189.222 67.0226 GPRESSURE: 4957600 -22.0748 156.928 -27.2158 84.4081 -147.032 -158.023 -28.2492 -159.04 50.9566 PRESSAVG: 4957600 -11.9329 -0.842914 -43.0857 -0.842953 0.558505 -34.7195 -43.0856 -34.7195 31.192 GPRESSAVG: 4957600 -12.8146 -3.08191 -42.3046 -0.957981 0.709902 -35.7565 -42.4807 -35.3525 31.807 TIMING: 4957600 CPU: 14917, 0.00304987/step Wall: 14917, 0.00304987/step, 0.0359207 hours remaining, 206.761719 MB of memory in use. ENERGY: 4957600 741.6018 2099.8017 1979.4921 118.4144 -205977.2023 17855.0037 0.0000 0.0000 34096.2428 -149086.6459 297.7710 -183182.8887 -148992.1707 299.5227 -74.1833 -39.3834 559035.9903 6.6059 6.5675 PRESSURE: 4957800 7.9211 95.8783 -37.9153 95.8787 -7.72492 58.8044 -37.9156 58.8036 -67.2895 GPRESSURE: 4957800 77.0803 151.999 -61.8362 42.3447 2.36921 109.058 -30.7521 32.5795 -46.327 PRESSAVG: 4957800 1.89926 -8.21569 4.53969 -8.21578 -27.8686 10.2802 4.53975 10.2801 20.0961 GPRESSAVG: 4957800 2.66159 -7.05269 4.67608 -7.73971 -27.9341 9.60297 3.12749 13.9301 19.488 TIMING: 4957800 CPU: 14917.6, 0.00302182/step Wall: 14917.6, 0.00302182/step, 0.0354225 hours remaining, 206.761719 MB of memory in use. ENERGY: 4957800 730.2650 2064.5277 1926.4229 114.4231 -205881.3857 17727.8362 0.0000 0.0000 34305.0837 -149012.8271 299.5948 -183317.9108 -148911.7888 298.7922 -22.3644 11.0408 559757.3457 -1.9578 -1.9282 PRESSURE: 4958000 295.606 -38.0063 99.3611 -38.005 -112.553 -84.2798 99.3601 -84.2804 81.5674 GPRESSURE: 4958000 363.699 39.2608 56.3158 -22.0402 -78.0782 -88.3206 83.448 -55.8728 79.0947 PRESSAVG: 4958000 94.425 -4.07192 5.53599 -4.07197 -110.362 -27.2028 5.53591 -27.2028 33.5337 GPRESSAVG: 4958000 93.2589 -1.4847 5.61562 -5.51146 -109.96 -28.8534 6.15517 -28.5292 34.349 TIMING: 4958000 CPU: 14918.3, 0.00303669/step Wall: 14918.3, 0.00303669/step, 0.0354281 hours remaining, 206.761719 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: 4958000 768.0741 2014.9625 1943.8840 117.5442 -206242.6910 17953.4793 0.0000 0.0000 34410.9678 -149033.7791 300.5195 -183444.7470 -148940.6957 299.4445 88.2067 121.5720 558067.1803 5.8655 5.8825 PRESSURE: 4958200 86.5025 30.3281 119.221 30.3282 301.362 -59.9859 119.221 -59.9854 124.159 GPRESSURE: 4958200 43.3408 15.6687 171.348 33.86 305.182 -58.3096 113.383 -60.8662 261.909 PRESSAVG: 4958200 23.601 -8.9528 47.5287 -8.95284 17.2623 -21.3452 47.5287 -21.3453 -72.8995 GPRESSAVG: 4958200 25.077 -11.929 47.8142 -8.92017 16.9639 -20.1951 47.6408 -22.2773 -74.6729 TIMING: 4958200 CPU: 14918.9, 0.00304796/step Wall: 14918.9, 0.00304796/step, 0.0353902 hours remaining, 206.761719 MB of memory in use. ENERGY: 4958200 732.3609 2076.4323 1933.4298 123.1047 -206026.3605 17959.0453 0.0000 0.0000 34165.8617 -149036.1257 298.3790 -183201.9875 -148948.9632 299.8206 170.6745 203.4774 557529.8679 -10.6787 -10.8773 PRESSURE: 4958400 106.008 -78.5115 25.8582 -78.5116 37.0118 -98.7313 25.8588 -98.7325 154.392 GPRESSURE: 4958400 127.284 -69.988 145.293 -10.6981 85.9556 -11.1646 7.85896 -87.1306 178.227 PRESSAVG: 4958400 2.29893 2.69635 -5.31639 2.69647 58.0093 38.0647 -5.3164 38.0647 -64.0995 GPRESSAVG: 4958400 2.78008 4.57304 -6.6325 2.91672 56.0238 39.0032 -6.23885 38.5135 -62.3581 TIMING: 4958400 CPU: 14919.5, 0.00306748/step Wall: 14919.5, 0.00306748/step, 0.0354464 hours remaining, 206.761719 MB of memory in use. ENERGY: 4958400 732.4554 2069.3862 1947.2260 108.8284 -205997.3888 17918.8443 0.0000 0.0000 34241.0983 -148979.5503 299.0360 -183220.6485 -148887.0093 299.4231 99.1372 130.4890 557186.8888 -1.2638 -1.1847 PRESSURE: 4958600 -321.638 -23.1288 37.0729 -23.1291 -130.69 -134.925 37.073 -134.927 -109.506 GPRESSURE: 4958600 -211.736 -7.06298 60.9536 -17.3407 -146.062 -228.014 32.8487 -117.932 -111.065 PRESSAVG: 4958600 -15.4538 -28.3718 42.5615 -28.3718 22.0412 -55.654 42.5615 -55.6541 -38.303 GPRESSAVG: 4958600 -15.6978 -28.2334 44.1678 -27.2653 23.7105 -54.0374 42.8584 -58.5023 -40.1657 TIMING: 4958600 CPU: 14920.1, 0.00306087/step Wall: 14920.1, 0.00306087/step, 0.0352 hours remaining, 206.761719 MB of memory in use. ENERGY: 4958600 763.1054 2056.6580 1964.1631 117.1242 -205745.2823 17561.8096 0.0000 0.0000 34224.0984 -149058.3236 298.8876 -183282.4220 -148959.0446 299.5805 -187.2779 -156.2877 557915.2898 -10.5719 -10.7176 PRESSURE: 4958800 237.975 129.923 87.94 129.923 -98.2764 -59.283 87.9394 -59.2843 11.6089 GPRESSURE: 4958800 246.152 93.2814 6.65767 78.9491 -65.8646 -47.1859 95.9308 -98.2814 55.9716 PRESSAVG: 4958800 51.4572 30.4942 58.8102 30.4942 -50.4283 -56.5353 58.8101 -56.5353 -30.7544 GPRESSAVG: 4958800 51.7068 31.4794 58.0712 26.9464 -52.5384 -60.3205 59.3092 -54.6285 -28.2245 TIMING: 4958800 CPU: 14920.7, 0.003046/step Wall: 14920.7, 0.003046/step, 0.0348598 hours remaining, 206.761719 MB of memory in use. ENERGY: 4958800 771.9019 2030.2523 1950.9368 114.2299 -206096.8024 17940.6398 0.0000 0.0000 34034.8939 -149253.9478 297.2352 -183288.8417 -149161.8829 299.2729 50.4358 78.7531 558020.0180 -9.9085 -9.6854 PRESSURE: 4959000 -143.026 -121.352 51.0124 -121.352 -278.144 1.1524 51.0127 1.15218 -99.66 GPRESSURE: 4959000 -129.7 -150.273 -0.591727 -108.507 -242.726 -8.19826 106.004 95.949 -48.2281 PRESSAVG: 4959000 -19.0415 -84.5435 20.2253 -84.5435 -45.4091 -1.83196 20.2254 -1.83202 30.9218 GPRESSAVG: 4959000 -19.5054 -86.8619 18.7804 -82.376 -43.9687 -0.498567 20.5372 -1.22522 29.9311 TIMING: 4959000 CPU: 14921.3, 0.00301945/step Wall: 14921.3, 0.00301945/step, 0.0343882 hours remaining, 206.761719 MB of memory in use. ENERGY: 4959000 771.6557 2103.0816 1956.2478 124.7542 -205860.9431 17508.3553 0.0000 0.0000 34147.7837 -149249.0649 298.2211 -183396.8486 -149157.9071 298.8907 -173.6101 -140.2182 557819.4395 -11.1763 -11.1810 PRESSURE: 4959200 107.122 -140.456 -10.1679 -140.457 68.2568 218.663 -10.1664 218.665 5.10637 GPRESSURE: 4959200 139.159 -46.1909 -73.1297 -148.407 78.6802 168.743 43.5319 315.582 51.3701 PRESSAVG: 4959200 -27.5905 -47.449 15.1634 -47.4489 -22.0275 41.2374 15.1634 41.2375 82.1372 GPRESSAVG: 4959200 -28.3338 -45.5158 17.8553 -47.3282 -20.7849 41.3344 15.0568 40.6602 81.2155 TIMING: 4959200 CPU: 14921.9, 0.00303323/step Wall: 14921.9, 0.00303323/step, 0.0343766 hours remaining, 206.761719 MB of memory in use. ENERGY: 4959200 787.8238 2089.0756 1938.2568 118.6636 -206676.5716 17954.4693 0.0000 0.0000 34358.6131 -149429.6694 300.0623 -183788.2825 -149328.8704 298.8722 60.1618 89.7363 556021.5595 10.8397 10.6990 PRESSURE: 4959400 168.447 -56.9625 27.0386 -56.9625 1.24088 -207.543 27.0372 -207.543 204.818 GPRESSURE: 4959400 200.575 -14.126 60.8459 -49.742 60.4153 -202.252 -42.5635 -165.085 205.35 PRESSAVG: 4959400 -36.0617 -38.7726 -6.58035 -38.7726 80.7026 5.46381 -6.58036 5.46364 -3.3897 GPRESSAVG: 4959400 -35.518 -41.6746 -7.60239 -37.9031 78.2889 5.40844 -7.73153 5.42698 -1.86915 TIMING: 4959400 CPU: 14922.5, 0.00303849/step Wall: 14922.5, 0.00303849/step, 0.0342674 hours remaining, 206.761719 MB of memory in use. ENERGY: 4959400 708.1169 2051.5447 1955.3930 123.2067 -206735.1906 18115.0704 0.0000 0.0000 34381.4057 -149400.4532 300.2614 -183781.8589 -149307.7313 299.4868 124.8354 155.4465 556611.1525 13.7504 13.6339 PRESSURE: 4959600 183.477 -11.5679 -69.2665 -11.5692 70.6059 34.3312 -69.2664 34.3322 350.288 GPRESSURE: 4959600 186.92 -38.8213 -86.8512 -20.164 90.4931 20.3634 -72.8008 35.7304 414.333 PRESSAVG: 4959600 -22.8595 -19.78 -19.9623 -19.78 -16.3281 4.20313 -19.9623 4.20307 64.3515 GPRESSAVG: 4959600 -24.1318 -18.8311 -20.9058 -22.8236 -14.6114 3.14524 -18.7251 3.7086 63.2761 TIMING: 4959600 CPU: 14923.1, 0.00304125/step Wall: 14923.1, 0.00304125/step, 0.0341296 hours remaining, 206.761719 MB of memory in use. ENERGY: 4959600 734.1866 2080.1695 1957.1722 115.4957 -206776.7051 18221.5889 0.0000 0.0000 34358.8043 -149309.2879 300.0640 -183668.0922 -149218.0361 299.0146 201.4569 230.5818 556569.8711 8.3880 8.1776 PRESSURE: 4959800 -39.5451 26.7083 192.634 26.7065 36.3425 -76.7304 192.634 -76.7295 180.064 GPRESSURE: 4959800 19.306 116.952 250.831 -14.1232 102.721 12.4615 195.972 -41.1953 158.05 PRESSAVG: 4959800 -72.6981 6.21133 -16.8571 6.21135 -33.3342 14.35 -16.8572 14.35 60.6866 GPRESSAVG: 4959800 -71.6637 7.17199 -15.4347 6.23023 -34.1545 15.8329 -17.6319 12.4969 60.8441 TIMING: 4959800 CPU: 14923.7, 0.00304094/step Wall: 14923.7, 0.00304094/step, 0.0339572 hours remaining, 206.761719 MB of memory in use. ENERGY: 4959800 725.9103 2106.4732 1972.4373 135.8164 -206184.4652 17869.1893 0.0000 0.0000 34257.7667 -149116.8720 299.1816 -183374.6387 -149025.9961 299.8074 58.9538 93.3589 557297.4240 -15.1153 -14.9914 PRESSURE: 4960000 -10.6678 102.017 18.5304 102.017 -347.114 -54.5218 18.5297 -54.5214 -8.25145 GPRESSURE: 4960000 44.8568 110.035 33.3385 44.5183 -305.088 -34.0826 1.137 -94.5568 -19.2857 PRESSAVG: 4960000 -71.6743 -15.4007 17.4191 -15.4008 39.3787 -8.22455 17.419 -8.22447 27.3309 GPRESSAVG: 4960000 -72.1727 -15.8163 15.7976 -13.1496 40.7569 -8.11227 18.1511 -5.69707 26.3098 TIMING: 4960000 CPU: 14924.3, 0.00304953/step Wall: 14924.3, 0.00304953/step, 0.0338836 hours remaining, 206.761719 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: 4960000 756.0497 2146.4694 1918.7936 104.2356 -205778.0812 17791.6924 0.0000 0.0000 34121.9128 -148938.9278 297.9952 -183060.8406 -148852.4293 299.7501 -122.0112 -93.1723 559987.5653 -1.6549 -1.7020 PRESSURE: 4960200 -76.6171 -153.815 124.12 -153.815 172.834 -94.2743 124.121 -94.2746 83.823 GPRESSURE: 4960200 -36.5912 -93.5259 155.356 -104.834 196.244 -66.5273 106.493 -31.3509 128.652 PRESSAVG: 4960200 13.5941 -22.817 31.73 -22.817 -41.9733 11.3493 31.7302 11.3495 21.7938 GPRESSAVG: 4960200 14.8889 -24.7258 31.6589 -23.3037 -43.5333 10.6661 31.2747 11.4176 22.3389 TIMING: 4960200 CPU: 14925, 0.0030445/step Wall: 14925, 0.0030445/step, 0.0336586 hours remaining, 206.761719 MB of memory in use. ENERGY: 4960200 726.6826 2099.9187 1956.0803 124.6687 -206032.0214 17915.0156 0.0000 0.0000 34101.7430 -149107.9124 297.8190 -183209.6554 -149009.6362 299.9550 60.0133 96.1014 557062.4870 -2.1951 -2.1018 LDB: ============= START OF LOAD BALANCING ============== 14928.4 LDB: ============== END OF LOAD BALANCING =============== 14928.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14928.4 LDB: ============= START OF LOAD BALANCING ============== 14928.7 LDB: Largest compute 4820 load 0.029074 is 24.6% of average load 0.118234 LDB: Average compute 0.001720 is 1.5% of average load 0.118234 LDB: TIME 14928.7 LOAD: AVG 0.118234 MAX 0.216235 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.785 MB LDB: TIME 14928.7 LOAD: AVG 0.118234 MAX 0.216235 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.848 MB LDB: TIME 14928.7 LOAD: AVG 0.118234 MAX 0.216235 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.848 MB LDB: ============== END OF LOAD BALANCING =============== 14928.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14928.7 PRESSURE: 4960400 -72.9454 -3.46204 18.7102 -3.46038 -61.3151 -97.3632 18.7103 -97.3624 -336.524 GPRESSURE: 4960400 -35.8919 13.5129 62.3561 -40.5349 -38.1463 -91.6393 11.8322 -24.4595 -298.395 PRESSAVG: 4960400 71.5932 -48.6508 19.6968 -48.6508 -28.2383 -14.0703 19.6968 -14.0703 -22.2127 GPRESSAVG: 4960400 71.8889 -46.5267 21.7764 -49.5353 -27.0861 -12.1078 19.6411 -16.8405 -22.8604 TIMING: 4960400 CPU: 14925.6, 0.00314366/step Wall: 14925.6, 0.00314366/step, 0.0345803 hours remaining, 208.808594 MB of memory in use. ENERGY: 4960400 721.5522 2080.7079 1957.4462 125.0275 -205768.4954 17426.7336 0.0000 0.0000 34142.5880 -149314.4399 298.1757 -183457.0280 -149216.6173 299.1448 -156.9282 -124.1443 557679.6196 7.0474 7.3142 PRESSURE: 4960600 -153.469 -67.7329 -81.5104 -67.7323 -101.355 -78.1686 -81.5103 -78.1667 -275.943 GPRESSURE: 4960600 -76.8981 -79.3805 45.4649 -138.224 -129.45 -50.4157 -121.941 -93.204 -237.932 PRESSAVG: 4960600 -3.85674 -1.81031 6.19616 -1.81027 19.6611 29.9874 6.19614 29.9874 -34.7648 GPRESSAVG: 4960600 -4.76453 -2.31008 4.84493 -2.21915 19.6852 28.6762 6.23701 31.5499 -34.2601 TIMING: 4960600 CPU: 14926.2, 0.00304558/step Wall: 14926.2, 0.00304558/step, 0.0333322 hours remaining, 208.808594 MB of memory in use. ENERGY: 4960600 744.7437 2028.5565 1935.7354 109.3452 -205636.4387 17530.1071 0.0000 0.0000 34268.3345 -149019.6163 299.2739 -183287.9508 -148923.8634 299.3085 -176.9222 -148.0934 557904.9016 -6.3201 -6.4465 PRESSURE: 4960800 69.0533 -48.7143 -30.1771 -48.7137 -157.431 28.395 -30.1765 28.3954 141.64 GPRESSURE: 4960800 23.994 -38.2958 9.96226 -46.7577 -75.5353 28.2355 -94.8721 49.3155 197.451 PRESSAVG: 4960800 53.5279 -38.4299 -40.9156 -38.4299 -27.3361 -22.5289 -40.9155 -22.5288 -30.6379 GPRESSAVG: 4960800 53.6002 -38.4643 -42.2752 -38.2668 -27.5649 -22.7234 -41.1437 -22.8886 -29.7319 TIMING: 4960800 CPU: 14926.8, 0.00300092/step Wall: 14926.8, 0.00300092/step, 0.0326767 hours remaining, 208.808594 MB of memory in use. ENERGY: 4960800 722.2352 2099.0258 1946.6614 127.1061 -206262.5036 17823.4998 0.0000 0.0000 34336.4155 -149207.5598 299.8685 -183543.9753 -149115.5918 299.5744 17.7541 48.6365 556724.9282 -1.4821 -1.2322 PRESSURE: 4961000 -139.443 -101.168 63.7367 -101.17 0.0814135 -37.3001 63.7365 -37.299 -79.5105 GPRESSURE: 4961000 -96.4897 -114.837 -16.9494 -115.608 -22.3426 -59.206 112.755 -12.8705 -5.27357 PRESSAVG: 4961000 31.3655 -81.7719 9.04298 -81.7719 0.286032 -37.4786 9.04294 -37.4787 20.8271 GPRESSAVG: 4961000 31.9122 -81.4605 10.8559 -83.0291 -0.11909 -37.4852 9.15633 -35.4631 20.4819 TIMING: 4961000 CPU: 14927.4, 0.00300619/step Wall: 14927.4, 0.00300619/step, 0.032567 hours remaining, 208.808594 MB of memory in use. ENERGY: 4961000 730.7972 2091.3598 1964.1577 112.8187 -206035.2251 17804.5613 0.0000 0.0000 34217.8398 -149113.6907 298.8329 -183331.5304 -149017.3622 299.3341 -72.9573 -41.3686 558790.4447 17.4929 17.4250 PRESSURE: 4961200 -226.756 68.8969 -67.7051 68.8963 -217.703 -99.0052 -67.7048 -99.0049 -257.151 GPRESSURE: 4961200 -138.694 -8.07026 -28.8939 159.873 -200.616 -128.088 -159.26 -45.7636 -264.042 PRESSAVG: 4961200 -19.8868 -79.4489 -33.3393 -79.4489 -3.68699 -20.3395 -33.3393 -20.3393 23.6097 GPRESSAVG: 4961200 -18.4301 -80.4519 -33.8664 -78.342 -4.93755 -20.1186 -32.9606 -21.7446 23.1771 TIMING: 4961200 CPU: 14928, 0.00304036/step Wall: 14928, 0.00304036/step, 0.0327683 hours remaining, 208.808594 MB of memory in use. ENERGY: 4961200 766.9214 2105.2319 1962.7036 122.0787 -206040.4071 17816.7933 0.0000 0.0000 34186.4934 -149080.1847 298.5592 -183266.6782 -148981.3025 299.0003 -233.8702 -201.1171 559764.5669 0.0120 -0.0635 PRESSURE: 4961400 87.7613 -59.4272 -231.017 -59.4277 -94.7391 76.0032 -231.017 76.0037 -75.5405 GPRESSURE: 4961400 90.2446 -24.9145 -338.557 -68.3814 -0.0816743 39.7122 -153.17 56.0798 -83.943 PRESSAVG: 4961400 -14.571 -15.0728 -36.1248 -15.0728 -57.2835 -1.73156 -36.1249 -1.73156 15.9875 GPRESSAVG: 4961400 -17.2086 -14.6986 -35.2412 -13.8323 -55.0688 -0.685989 -36.8054 -3.86331 16.0214 TIMING: 4961400 CPU: 14928.6, 0.00301243/step Wall: 14928.6, 0.00301243/step, 0.0323 hours remaining, 208.808594 MB of memory in use. ENERGY: 4961400 760.6659 2026.1072 1928.3802 114.1618 -206283.6844 17903.2515 0.0000 0.0000 34430.6291 -149120.4888 300.6912 -183551.1179 -149020.6499 299.2938 -27.5061 2.0733 559196.7093 -18.6223 -18.7520 PRESSURE: 4961600 -291.117 -75.9898 129.415 -75.9888 22.9911 20.243 129.416 20.2431 -177.524 GPRESSURE: 4961600 -283.913 -46.1102 52.7172 -13.3589 41.747 -38.1795 149.957 10.2693 -105.6 PRESSAVG: 4961600 -44.3288 24.0441 -0.0648995 24.0441 -12.8783 -2.74162 -0.0649015 -2.74161 48.9609 GPRESSAVG: 4961600 -42.3841 24.4561 -1.48198 24.2608 -12.9095 -4.33958 1.14548 -0.376452 47.3253 TIMING: 4961600 CPU: 14929.2, 0.00303326/step Wall: 14929.2, 0.00303326/step, 0.0323548 hours remaining, 208.808594 MB of memory in use. ENERGY: 4961600 760.2227 2099.5856 1919.5821 115.3354 -205739.5701 17543.4109 0.0000 0.0000 34362.2314 -148939.2021 300.0939 -183301.4335 -148835.5267 299.2721 -148.5500 -115.9219 560533.3206 -2.7487 -2.6561 PRESSURE: 4961800 191.633 105.926 -3.91424 105.925 -154.471 74.6037 -3.91424 74.6047 -150.649 GPRESSURE: 4961800 252.411 76.5449 21.0514 61.2683 -124.706 116.359 35.6929 27.183 -139.549 PRESSAVG: 4961800 -6.79305 33.5491 -6.03967 33.5491 -52.0642 -25.3633 -6.03964 -25.3634 44.6334 GPRESSAVG: 4961800 -6.57733 35.5737 -8.49093 31.4277 -53.5972 -23.9803 -4.63349 -26.7079 46.1626 TIMING: 4961800 CPU: 14929.8, 0.00304744/step Wall: 14929.8, 0.00304744/step, 0.0323368 hours remaining, 208.808594 MB of memory in use. ENERGY: 4961800 732.4663 2097.4602 1941.6489 100.8191 -206027.2994 17839.1866 0.0000 0.0000 34195.4015 -149120.3166 298.6369 -183315.7182 -149025.7252 299.3058 -37.8290 -3.9477 558801.4229 -4.7413 -4.6706 PRESSURE: 4962000 -27.9935 7.13446 -179.238 7.13467 108.637 3.3123 -179.238 3.31284 -76.9076 GPRESSURE: 4962000 33.9991 -40.177 -131.033 -39.7703 123.272 40.7124 -224.295 -94.1216 -55.5128 PRESSAVG: 4962000 17.7579 24.0467 -2.54363 24.0466 39.3192 8.04126 -2.5437 8.04127 -10.0516 GPRESSAVG: 4962000 16.5433 21.2513 0.459902 24.0012 40.8566 9.43012 -3.4795 7.77332 -9.86743 TIMING: 4962000 CPU: 14930.4, 0.00308384/step Wall: 14930.4, 0.00308384/step, 0.0325516 hours remaining, 208.808594 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: 4962000 749.5250 2081.0680 1924.3764 112.4362 -206272.5456 17939.2833 0.0000 0.0000 34457.7210 -149008.1358 300.9278 -183465.8568 -148914.3752 300.2338 1.2451 33.9194 556638.9424 15.6752 15.8442 PRESSURE: 4962200 -288.402 198.477 12.9375 198.477 -395.945 69.9664 12.9391 69.966 151.477 GPRESSURE: 4962200 -197.042 234.895 15.2218 175.895 -381.311 32.8107 46.7718 36.3147 145.392 PRESSAVG: 4962200 41.852 -18.8505 -24.508 -18.8505 -29.3444 32.4549 -24.508 32.4549 25.4648 GPRESSAVG: 4962200 43.1264 -19.0468 -23.8481 -17.6929 -29.8954 28.6169 -26.1447 33.9818 24.9385 TIMING: 4962200 CPU: 14931, 0.00303962/step Wall: 14931, 0.00303962/step, 0.031916 hours remaining, 208.808594 MB of memory in use. ENERGY: 4962200 738.4153 2057.5528 1919.2080 112.4250 -205776.2708 17521.1878 0.0000 0.0000 34243.6692 -149183.8126 299.0585 -183427.4818 -149079.4032 299.6353 -177.6233 -144.3203 558794.2783 12.6575 12.7232 PRESSURE: 4962400 199.638 81.6761 30.0751 81.6765 -149.003 10.5625 30.0739 10.5618 22.9312 GPRESSURE: 4962400 254.741 98.488 -10.043 20.3514 -142.119 65.698 67.4214 -10.3409 59.8507 PRESSAVG: 4962400 -22.3038 -47.5146 -4.93407 -47.5147 -110.103 23.6821 -4.934 23.682 110.11 GPRESSAVG: 4962400 -21.9953 -46.969 -4.30765 -46.364 -110.554 25.868 -5.60477 24.3303 110.231 TIMING: 4962400 CPU: 14931.7, 0.00306526/step Wall: 14931.7, 0.00306526/step, 0.0320149 hours remaining, 208.808594 MB of memory in use. ENERGY: 4962400 729.7158 2131.1662 1912.0015 94.6536 -206128.8556 17857.1982 0.0000 0.0000 34093.9320 -149310.1883 297.7508 -183404.1203 -149220.9926 298.7956 24.5221 57.4908 557498.3976 -7.4323 -7.4393 PRESSURE: 4962600 -29.2909 -30.9126 -45.435 -30.9123 -31.3258 -69.7276 -45.4348 -69.7287 230.934 GPRESSURE: 4962600 2.46058 -19.4715 -69.0351 -55.3284 28.0849 -30.5007 31.1895 -14.1025 231.956 PRESSAVG: 4962600 42.8002 53.1186 -64.4656 53.1185 -84.1535 27.2375 -64.4657 27.2375 50.7934 GPRESSAVG: 4962600 42.425 52.7129 -66.5941 52.0057 -83.1622 26.7293 -63.2473 27.2254 49.3637 TIMING: 4962600 CPU: 14932.3, 0.00308109/step Wall: 14932.3, 0.00308109/step, 0.0320091 hours remaining, 208.808594 MB of memory in use. ENERGY: 4962600 688.2179 2057.6538 1954.7598 118.2656 -206379.0320 17925.4349 0.0000 0.0000 34372.1627 -149262.5373 300.1806 -183634.7000 -149170.1885 298.9719 56.7723 87.5004 557668.6243 3.1467 2.8755 PRESSURE: 4962800 39.5244 -2.38562 0.29944 -2.38535 75.9302 13.5194 0.300467 13.5194 206.209 GPRESSURE: 4962800 96.5158 17.185 -70.5059 -21.9376 87.3001 -24.7689 -14.3249 -35.1463 225.828 PRESSAVG: 4962800 -48.2272 10.784 -35.8159 10.7839 18.5957 -19.3934 -35.8159 -19.3934 9.71906 GPRESSAVG: 4962800 -49.2815 11.9299 -33.918 12.3152 18.2531 -19.5712 -37.4973 -20.9855 11.0499 TIMING: 4962800 CPU: 14932.9, 0.00306132/step Wall: 14932.9, 0.00306132/step, 0.0316337 hours remaining, 208.808594 MB of memory in use. ENERGY: 4962800 704.5285 2086.7402 1948.9588 116.7700 -206466.4903 18058.4872 0.0000 0.0000 34133.6471 -149417.3584 298.0976 -183551.0055 -149319.5951 298.7814 107.2211 136.5481 558449.4943 -6.6375 -6.6595 PRESSURE: 4963000 -74.8234 -32.4722 21.7176 -32.4711 -179.303 -31.8272 21.7186 -31.8279 -61.9597 GPRESSURE: 4963000 -94.9272 -37.9143 74.1899 -56.1038 -114.407 -22.4469 -30.8325 -45.2395 -11.874 PRESSAVG: 4963000 3.1684 -26.6823 3.32667 -26.6822 74.8526 -77.662 3.32668 -77.6621 -61.825 GPRESSAVG: 4963000 4.00096 -28.0845 1.55179 -26.9758 74.7462 -74.8196 4.03181 -78.5978 -62.6458 TIMING: 4963000 CPU: 14933.5, 0.00306123/step Wall: 14933.5, 0.00306123/step, 0.0314626 hours remaining, 208.808594 MB of memory in use. ENERGY: 4963000 748.9620 2044.2150 1961.0470 121.5585 -206054.4238 17784.1423 0.0000 0.0000 34138.4379 -149256.0611 298.1395 -183394.4990 -149160.2644 298.7015 -105.3618 -73.7360 559018.1639 5.3987 5.3671 PRESSURE: 4963200 226.916 -90.5414 -11.2047 -90.542 11.891 -3.56985 -11.2051 -3.57054 200.534 GPRESSURE: 4963200 227.033 -83.7027 -43.6091 -26.1496 102.744 35.0633 -50.6424 -73.5595 201.909 PRESSAVG: 4963200 -61.9318 -20.2487 -55.4674 -20.2488 22.4521 7.75876 -55.4674 7.75879 10.4401 GPRESSAVG: 4963200 -61.9274 -17.0723 -56.0428 -23.0839 22.4602 4.5278 -55.0916 9.65616 10.9317 TIMING: 4963200 CPU: 14934.1, 0.00304854/step Wall: 14934.1, 0.00304854/step, 0.0311629 hours remaining, 208.808594 MB of memory in use. ENERGY: 4963200 735.8132 2090.0311 1941.9896 119.7184 -206245.5677 18173.1908 0.0000 0.0000 34039.1061 -149145.7185 297.2720 -183184.8245 -149057.0834 298.7776 146.4468 177.2286 558885.6401 -9.6799 -9.5118 PRESSURE: 4963400 -14.1166 84.9152 126.366 84.9159 -170.157 129.885 126.367 129.885 -166.862 GPRESSURE: 4963400 38.7922 74.1947 187.176 107.733 -176.366 131.387 79.6111 116.886 -134.685 PRESSAVG: 4963400 -18.2516 -9.59973 -9.3756 -9.59972 -8.94978 31.1702 -9.37551 31.1701 68.4898 GPRESSAVG: 4963400 -18.0297 -10.3412 -9.32217 -7.2059 -8.31793 30.9903 -9.7505 32.3444 67.3326 TIMING: 4963400 CPU: 14934.7, 0.00306715/step Wall: 14934.7, 0.00306715/step, 0.0311827 hours remaining, 208.808594 MB of memory in use. ENERGY: 4963400 746.5635 2096.9681 1947.1444 92.3199 -206090.5714 17682.7495 0.0000 0.0000 34272.6352 -149252.1909 299.3114 -183524.8260 -149153.4540 298.8445 -117.0455 -90.7531 558786.5823 13.7628 13.6616 PRESSURE: 4963600 6.45752 30.18 91.4906 30.18 -222.536 -76.6921 91.4911 -76.6937 -294.674 GPRESSURE: 4963600 46.3809 30.3626 94.2546 67.0643 -266.123 -49.1237 120.519 -107.642 -200.789 PRESSAVG: 4963600 67.6426 -12.47 20.0124 -12.47 -37.6175 38.1219 20.0123 38.1218 18.1384 GPRESSAVG: 4963600 66.2992 -12.2405 20.7593 -13.4347 -38.7366 40.2088 20.1827 36.0394 20.5509 TIMING: 4963600 CPU: 14935.3, 0.00308441/step Wall: 14935.3, 0.00308441/step, 0.0311868 hours remaining, 208.808594 MB of memory in use. ENERGY: 4963600 751.6949 2084.5829 1926.6213 116.5969 -206123.3480 17782.7953 0.0000 0.0000 34117.8515 -149343.2052 297.9597 -183461.0567 -149255.5503 299.1878 -170.2506 -140.1771 559108.0768 16.0545 16.0378 PRESSURE: 4963800 3.85752 149.38 53.4862 149.379 -148.11 -59.0321 53.4862 -59.0331 -185.903 GPRESSURE: 4963800 21.4071 102.27 9.27778 175.866 -39.762 -47.1393 77.8532 -17.7743 -213.762 PRESSAVG: 4963800 13.2359 28.8349 40.5224 28.8348 -25.2296 -13.1444 40.5223 -13.1442 -38.1425 GPRESSAVG: 4963800 13.777 26.0573 38.9328 31.158 -24.3384 -14.0378 42.0168 -12.4295 -39.7679 TIMING: 4963800 CPU: 14935.9, 0.00304472/step Wall: 14935.9, 0.00304472/step, 0.0306164 hours remaining, 208.808594 MB of memory in use. ENERGY: 4963800 788.0018 2089.8945 1946.7415 119.8835 -206104.9231 17670.0753 0.0000 0.0000 34421.8663 -149068.4603 300.6147 -183490.3265 -148971.9640 299.0965 -110.0517 -77.3722 558086.5523 -16.7121 -16.7765 PRESSURE: 4964000 -35.9605 -105.368 133.771 -105.368 91.0595 147.433 133.77 147.432 -74.862 GPRESSURE: 4964000 32.5299 -166.429 121.424 -59.6131 91.6702 72.4351 132.216 196.608 -47.6808 PRESSAVG: 4964000 4.64031 4.09268 -15.9116 4.09267 -26.7088 -3.27768 -15.9116 -3.27759 -0.242924 GPRESSAVG: 4964000 5.26351 5.01179 -15.7563 0.834889 -27.2594 -3.37627 -18.3336 -3.27919 -0.661582 TIMING: 4964000 CPU: 14936.6, 0.00305856/step Wall: 14936.6, 0.00305856/step, 0.0305856 hours remaining, 208.875000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG ENERGY: 4964000 765.7468 2094.9412 1928.1435 112.7356 -206256.9288 17991.4330 0.0000 0.0000 34090.9940 -149272.9348 297.7251 -183363.9288 -149180.6322 299.3125 -6.5877 25.5064 558643.7817 -7.4371 -7.5525 PRESSURE: 4964200 -104.446 116.072 -20.3774 116.072 146.038 109.327 -20.3772 109.326 246.969 GPRESSURE: 4964200 -85.5687 146.379 -42.1063 128.822 210.199 61.0099 -35.1479 126.434 257.87 PRESSAVG: 4964200 -34.3453 -45.3616 -2.12722 -45.3616 14.722 6.27761 -2.12714 6.27767 48.9915 GPRESSAVG: 4964200 -34.9274 -45.1433 0.0768226 -43.7474 14.9315 3.07908 -2.43407 8.92708 49.1627 TIMING: 4964200 CPU: 14937.2, 0.00306979/step Wall: 14937.2, 0.00306979/step, 0.0305274 hours remaining, 208.875000 MB of memory in use. ENERGY: 4964200 744.8500 2116.1166 1908.2891 97.6863 -206397.4976 18014.3827 0.0000 0.0000 34126.5295 -149389.6433 298.0355 -183516.1728 -149292.2455 298.3199 96.1871 127.5002 557588.1607 9.7894 9.7223 LDB: ============= START OF LOAD BALANCING ============== 14940.6 LDB: ============== END OF LOAD BALANCING =============== 14940.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14940.6 LDB: ============= START OF LOAD BALANCING ============== 14940.9 LDB: Largest compute 4820 load 0.029318 is 24.8% of average load 0.118281 LDB: Average compute 0.001713 is 1.4% of average load 0.118281 LDB: TIME 14940.9 LOAD: AVG 0.118281 MAX 0.215919 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.555 MB LDB: TIME 14940.9 LOAD: AVG 0.118281 MAX 0.215919 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.555 MB LDB: TIME 14940.9 LOAD: AVG 0.118281 MAX 0.215919 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.555 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14940.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14940.9 PRESSURE: 4964400 -230.794 55.2821 -102.613 55.2814 144.32 -7.91125 -102.613 -7.91375 -20.4392 GPRESSURE: 4964400 -156.17 91.7974 -107.68 46.6848 191.153 -7.93666 -107.77 -15.8609 -51.49 PRESSAVG: 4964400 -6.23083 0.47171 -94.5041 0.471734 -19.7381 -11.8055 -94.5041 -11.8055 27.8194 GPRESSAVG: 4964400 -5.69461 -0.210698 -96.4564 0.279448 -19.5496 -8.87094 -93.2078 -13.1773 27.4278 TIMING: 4964400 CPU: 14937.8, 0.00309637/step Wall: 14937.8, 0.00309637/step, 0.0306197 hours remaining, 207.679688 MB of memory in use. ENERGY: 4964400 759.7516 2087.3228 1984.8747 101.6255 -206299.7497 17756.3907 0.0000 0.0000 34204.1073 -149405.6772 298.7130 -183609.7845 -149311.9769 298.3680 -35.6379 -5.5024 557530.7219 0.6168 0.7279 PRESSURE: 4964600 102.12 8.2235 76.5786 8.22253 30.8584 -46.8252 76.5786 -46.8242 -93.4791 GPRESSURE: 4964600 148.793 -105.839 47.3527 15.3753 46.3469 29.7951 86.0085 -11.1005 -58.0698 PRESSAVG: 4964600 28.5067 -13.4201 0.347998 -13.4201 39.8257 -9.44025 0.348071 -9.44036 -64.0515 GPRESSAVG: 4964600 27.4915 -12.9939 0.682308 -15.2026 40.5364 -8.95327 1.6337 -8.92481 -64.081 TIMING: 4964600 CPU: 14938.4, 0.00305474/step Wall: 14938.4, 0.00305474/step, 0.0300383 hours remaining, 207.679688 MB of memory in use. ENERGY: 4964600 761.6483 2084.5147 1927.6309 128.4448 -206199.1343 17719.1163 0.0000 0.0000 34141.5948 -149436.1846 298.1670 -183577.7794 -149337.5431 299.3492 13.1664 45.6900 555694.4144 1.4270 1.3157 PRESSURE: 4964800 104.615 -91.4357 -144.603 -91.4357 -344.548 107.636 -144.603 107.636 -161.614 GPRESSURE: 4964800 133.051 -104.915 -199.718 -119.722 -289.044 45.4614 -163.581 54.1717 -154.826 PRESSAVG: 4964800 42.904 -1.26765 -15.1014 -1.26762 1.45757 -18.9544 -15.1014 -18.9543 -61.371 GPRESSAVG: 4964800 43.9389 -1.88375 -15.0498 -1.39513 0.0937404 -21.0099 -15.5376 -19.6725 -61.1843 TIMING: 4964800 CPU: 14939, 0.00304808/step Wall: 14939, 0.00304808/step, 0.0298034 hours remaining, 207.679688 MB of memory in use. ENERGY: 4964800 758.4282 2133.0274 1942.2480 106.7474 -206076.6108 17651.9476 0.0000 0.0000 34154.3121 -149329.9000 298.2781 -183484.2121 -149236.6949 298.9599 -133.8491 -103.6066 556603.4347 -5.6698 -5.7172 PRESSURE: 4965000 -181.947 -88.1945 -91.9147 -88.1943 -376.093 80.7057 -91.9119 80.7051 -187.439 GPRESSURE: 4965000 -195.383 -58.1218 -131.739 -88.5375 -313.755 89.1887 -127.942 110.974 -139.468 PRESSAVG: 4965000 111.895 31.5339 -21.3225 31.5339 -46.9064 16.9078 -21.3226 16.9078 -71.5418 GPRESSAVG: 4965000 111.503 32.0954 -21.9468 32.0187 -46.8052 18.83 -21.9455 17.4041 -71.351 TIMING: 4965000 CPU: 14939.6, 0.00303233/step Wall: 14939.6, 0.00303233/step, 0.029481 hours remaining, 207.679688 MB of memory in use. ENERGY: 4965000 741.5803 2098.2007 1960.2630 109.1541 -205966.6710 17435.2977 0.0000 0.0000 34229.6014 -149392.5739 298.9356 -183622.1752 -149302.9201 299.2428 -248.4933 -216.2022 557060.6294 -2.1842 -2.2178 PRESSURE: 4965200 -366.265 -104.045 -107.153 -104.045 -2.99486 -0.690208 -107.152 -0.689744 -245.03 GPRESSURE: 4965200 -333.487 -60.2581 21.4152 -162.217 -19.8009 -90.409 -139.866 -40.5323 -172.431 PRESSAVG: 4965200 26.8514 -29.0623 -49.0377 -29.0623 41.352 33.6362 -49.0377 33.6361 -26.6834 GPRESSAVG: 4965200 26.6973 -29.4049 -48.7017 -29.6979 40.9626 32.1644 -48.2425 34.3513 -26.4744 TIMING: 4965200 CPU: 14940.2, 0.00300698/step Wall: 14940.2, 0.00300698/step, 0.0290675 hours remaining, 207.679688 MB of memory in use. ENERGY: 4965200 712.4402 2098.4987 1984.5313 115.4419 -205982.4098 17371.7248 0.0000 0.0000 34321.0744 -149378.6985 299.7345 -183699.7729 -149280.6946 298.7786 -204.7632 -175.2396 556096.6370 13.8400 13.7285 PRESSURE: 4965400 176.541 -64.4724 -34.1008 -64.4712 112.966 64.5033 -34.1022 64.503 -141.899 GPRESSURE: 4965400 197.296 -47.418 -28.3661 -45.6512 141.429 28.7512 -40.963 109.883 -82.4205 PRESSAVG: 4965400 -3.99162 -5.42331 -52.6383 -5.42333 34.2182 -35.8304 -52.6383 -35.8304 24.5248 GPRESSAVG: 4965400 -5.24933 -5.79378 -53.9145 -5.755 35.8435 -33.4391 -53.1298 -38.4492 24.0227 TIMING: 4965400 CPU: 14940.8, 0.00305958/step Wall: 14940.8, 0.00305958/step, 0.029406 hours remaining, 207.679688 MB of memory in use. ENERGY: 4965400 772.4888 2080.9950 1955.5212 113.3548 -206257.7553 17855.1658 0.0000 0.0000 34215.4065 -149264.8231 298.8117 -183480.2296 -149171.4348 298.9363 49.2026 85.4347 556624.6123 18.2505 18.2056 PRESSURE: 4965600 11.088 120.567 -324.493 120.566 101.805 131.779 -324.492 131.78 -198.796 GPRESSURE: 4965600 103.098 173.486 -300.294 104.125 53.1369 255.163 -305.823 108.906 -148.134 PRESSAVG: 4965600 48.7022 24.9168 -51.276 24.9169 -31.6571 37.4521 -51.276 37.4522 6.85902 GPRESSAVG: 4965600 49.1105 26.0137 -47.3927 27.1067 -32.1478 37.2057 -54.2546 38.6792 7.38957 TIMING: 4965600 CPU: 14941.4, 0.0030537/step Wall: 14941.4, 0.0030537/step, 0.0291798 hours remaining, 207.679688 MB of memory in use. ENERGY: 4965600 768.5322 2099.6793 1960.4287 116.0559 -206279.5235 17986.0993 0.0000 0.0000 34064.6855 -149284.0425 297.4954 -183348.7280 -149191.3510 298.8186 -28.6345 2.7001 558534.2105 7.9681 8.1174 PRESSURE: 4965800 -41.662 -128.473 -24.743 -128.473 101.794 -196.524 -24.7425 -196.523 10.8044 GPRESSURE: 4965800 7.81035 -96.3516 -4.49344 -90.3445 195.603 -238.419 -12.1603 -159.339 -44.1991 PRESSAVG: 4965800 4.23098 -35.9373 -31.8984 -35.9374 18.3839 -38.7486 -31.8985 -38.7486 23.4246 GPRESSAVG: 4965800 4.35814 -36.422 -34.1263 -38.9623 18.4874 -40.91 -28.6584 -38.3781 22.7444 TIMING: 4965800 CPU: 14942.1, 0.00303566/step Wall: 14942.1, 0.00303566/step, 0.0288388 hours remaining, 207.679688 MB of memory in use. ENERGY: 4965800 742.1086 2090.5409 1941.7518 113.3463 -206173.8812 17797.7062 0.0000 0.0000 34194.0771 -149294.3502 298.6254 -183488.4273 -149190.8098 298.9649 23.6456 53.0713 556420.8290 15.3465 15.1967 PRESSURE: 4966000 11.9012 71.2334 -65.0545 71.2329 46.5678 24.2274 -65.0548 24.23 304.426 GPRESSURE: 4966000 -20.6911 47.6903 -57.4599 134.732 96.8631 62.9012 -59.0865 34.0851 390.161 PRESSAVG: 4966000 -44.4112 12.0037 26.4963 12.0038 -81.4555 -33.0639 26.4964 -33.0641 92.4642 GPRESSAVG: 4966000 -45.181 11.7477 26.6076 13.9584 -81.1918 -31.8822 25.8509 -32.6604 93.2568 TIMING: 4966000 CPU: 14942.7, 0.0030256/step Wall: 14942.7, 0.0030256/step, 0.0285751 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: 4966000 760.6949 2037.4511 1949.2049 111.6729 -206295.3580 18043.1025 0.0000 0.0000 34139.7111 -149253.5205 298.1506 -183393.2316 -149159.8056 299.2113 120.9651 155.4443 556147.4239 -11.1342 -11.0386 PRESSURE: 4966200 -76.6874 6.40781 80.1796 6.40718 155.668 -161.264 80.1794 -161.265 109.825 GPRESSURE: 4966200 -17.906 -11.1746 112.818 -27.0998 133.681 -136.655 36.4314 -135.801 182.147 PRESSAVG: 4966200 -38.6563 13.0849 -6.47765 13.085 -1.19673 11.5849 -6.4776 11.5848 37.7595 GPRESSAVG: 4966200 -38.1259 14.2839 -7.21059 14.5413 -2.62378 12.7998 -5.49925 9.77687 38.364 TIMING: 4966200 CPU: 14943.3, 0.00304946/step Wall: 14943.3, 0.00304946/step, 0.0286311 hours remaining, 207.679688 MB of memory in use. ENERGY: 4966200 739.5450 2109.5690 1951.3211 114.6492 -206124.8859 17768.9621 0.0000 0.0000 34430.0158 -149010.8236 300.6859 -183440.8395 -148913.0908 299.7157 62.9351 99.3076 557725.7770 -0.6978 -0.7952 PRESSURE: 4966400 -112.612 -2.72675 5.76665 -2.72735 -112.878 -39.3273 5.76555 -39.3273 -71.5039 GPRESSURE: 4966400 -28.8078 35.1691 20.2014 -32.0277 -101.205 -82.4533 -19.7768 31.6365 -71.2809 PRESSAVG: 4966400 10.2565 9.25608 18.5363 9.25604 -26.0024 -52.2504 18.5363 -52.2503 10.0625 GPRESSAVG: 4966400 11.1084 8.19762 16.9284 7.91183 -26.4885 -54.4762 18.0111 -50.7975 9.38817 TIMING: 4966400 CPU: 14943.9, 0.00305802/step Wall: 14943.9, 0.00305802/step, 0.0285416 hours remaining, 207.679688 MB of memory in use. ENERGY: 4966400 766.6145 2154.9683 1940.2194 92.8587 -205539.4612 17604.3296 0.0000 0.0000 34131.5023 -148848.9684 298.0789 -182980.4707 -148755.5316 300.3987 -98.9979 -67.0978 559427.7678 -1.8945 -1.9973 PRESSURE: 4966600 -140.485 129.415 -104.167 129.414 86.3311 79.9869 -104.165 79.9869 -134.887 GPRESSURE: 4966600 -135.635 120.693 -132.261 148.993 74.3067 70.092 -26.0282 86.9397 -45.3931 PRESSAVG: 4966600 -20.0927 -23.4724 -0.982768 -23.4724 19.4703 -40.3185 -0.982727 -40.3185 -3.48296 GPRESSAVG: 4966600 -20.8596 -23.182 1.29902 -22.939 19.6604 -38.0149 -0.364352 -41.2774 -3.02989 TIMING: 4966600 CPU: 14944.5, 0.00304075/step Wall: 14944.5, 0.00304075/step, 0.0282114 hours remaining, 207.679688 MB of memory in use. ENERGY: 4966600 771.5832 2090.5558 1979.9882 129.0429 -205978.9792 17732.3175 0.0000 0.0000 34380.8404 -148894.6512 300.2564 -183275.4916 -148789.3743 299.5892 -63.0138 -35.5739 557981.8944 -1.3684 -1.4097 PRESSURE: 4966800 -41.2789 65.7691 191.359 65.7694 -188.731 72.674 191.36 72.6729 -221.738 GPRESSURE: 4966800 -9.20222 55.902 86.8489 132.902 -155.455 89.3765 241.161 9.12744 -201.241 PRESSAVG: 4966800 -44.8091 10.8917 -1.09788 10.8917 10.2217 37.9383 -1.09801 37.9384 16.4472 GPRESSAVG: 4966800 -44.7502 9.45092 -1.61079 11.7867 10.3982 36.3738 -1.58814 38.1428 16.2647 TIMING: 4966800 CPU: 14945.1, 0.0030267/step Wall: 14945.1, 0.0030267/step, 0.0279129 hours remaining, 207.679688 MB of memory in use. ENERGY: 4966800 796.7658 2104.8952 1953.3395 114.7076 -206163.8213 17766.5848 0.0000 0.0000 34372.2576 -149055.2708 300.1815 -183427.5284 -148956.9937 300.0758 -150.5825 -121.9662 557379.0501 -6.0467 -6.0291 PRESSURE: 4967000 -145.825 -95.2888 73.9974 -95.2896 -4.48736 -51.3864 73.9966 -51.3856 -330.296 GPRESSURE: 4967000 -143.539 -107.366 25.9792 -97.0886 60.8645 -106.137 96.2222 -44.0147 -303.079 PRESSAVG: 4967000 32.8792 -27.875 34.3824 -27.8751 4.59498 17.3056 34.3824 17.3057 -66.1677 GPRESSAVG: 4967000 33.2467 -26.4815 34.1556 -29.4048 5.01378 18.5336 33.5693 16.4176 -66.4784 TIMING: 4967000 CPU: 14945.7, 0.00303632/step Wall: 14945.7, 0.00303632/step, 0.027833 hours remaining, 207.679688 MB of memory in use. ENERGY: 4967000 733.1373 2084.8055 1943.2154 120.0443 -205945.8824 17425.7005 0.0000 0.0000 34347.0742 -149291.9051 299.9615 -183638.9793 -149184.8959 299.1713 -160.2027 -128.5845 556129.1450 -9.5645 -9.4060 PRESSURE: 4967200 -6.77561 62.4488 81.5812 62.4492 48.2725 55.2883 81.5802 55.288 -260.049 GPRESSURE: 4967200 66.1836 133.863 133.456 23.3266 99.6098 34.8964 56.592 -10.6376 -277.97 PRESSAVG: 4967200 74.7823 104.262 22.1091 104.262 28.6124 5.67412 22.1091 5.67418 -44.8455 GPRESSAVG: 4967200 73.5618 105.873 22.0575 106.115 29.4944 7.66787 23.7145 2.57408 -44.443 TIMING: 4967200 CPU: 14946.3, 0.00302129/step Wall: 14946.3, 0.00302129/step, 0.0275273 hours remaining, 207.679688 MB of memory in use. ENERGY: 4967200 737.3877 2087.5515 1957.0687 109.5393 -206223.7919 17657.2772 0.0000 0.0000 34300.5830 -149374.3845 299.5555 -183674.9675 -149272.7978 299.1985 -72.8507 -37.3922 557847.2828 19.5164 19.5377 PRESSURE: 4967400 80.9779 115.306 -227.725 115.305 34.7557 -50.8907 -227.725 -50.8904 162.093 GPRESSURE: 4967400 127.956 109.87 -288.22 155.709 85.0166 4.62828 -128.596 11.7065 157.394 PRESSAVG: 4967400 63.7503 77.8655 -59.815 77.8654 -56.1802 42.6733 -59.8151 42.6733 0.392879 GPRESSAVG: 4967400 64.1002 77.8578 -59.4469 75.4955 -56.4305 41.4228 -60.8015 45.3136 0.255033 TIMING: 4967400 CPU: 14946.9, 0.00304023/step Wall: 14946.9, 0.00304023/step, 0.027531 hours remaining, 207.679688 MB of memory in use. ENERGY: 4967400 765.0511 2082.0973 1947.8300 119.6351 -206793.9421 18015.9257 0.0000 0.0000 34384.0932 -149479.3097 300.2848 -183863.4029 -149380.1793 298.8626 92.6088 123.4556 556627.7219 2.6543 2.6416 PRESSURE: 4967600 338.226 -134.355 52.2866 -134.353 19.1113 -59.1574 52.2859 -59.1572 -185.995 GPRESSURE: 4967600 347.259 -67.2499 21.406 -108.081 78.1279 -81.2463 47.3834 -59.1102 -151.263 PRESSAVG: 4967600 61.5234 40.5674 8.35999 40.5674 -14.8261 32.4372 8.35993 32.4373 -1.30759 GPRESSAVG: 4967600 61.2489 39.5582 8.66024 41.9993 -14.0593 31.5314 7.7002 33.6314 -1.83578 TIMING: 4967600 CPU: 14947.5, 0.00305806/step Wall: 14947.5, 0.00305806/step, 0.0275225 hours remaining, 207.679688 MB of memory in use. ENERGY: 4967600 768.1639 2092.2435 1958.4475 106.9432 -206522.2098 17970.9569 0.0000 0.0000 34252.2682 -149373.1866 299.1336 -183625.4548 -149276.7930 299.5889 57.1139 91.3748 556618.2886 15.1299 15.1179 PRESSURE: 4967800 38.5249 -31.0146 81.965 -31.0149 -53.1969 -65.7391 81.9642 -65.7399 16.3222 GPRESSURE: 4967800 -13.161 -2.0645 73.5345 10.2148 59.0515 -111.901 74.9962 -21.6142 65.9533 PRESSAVG: 4967800 -1.41193 -34.7903 4.23906 -34.7904 16.6837 -47.0576 4.23914 -47.0575 19.0374 GPRESSAVG: 4967800 -0.98167 -35.4502 5.08149 -33.9786 15.2328 -48.0924 2.51075 -50.345 20.0114 TIMING: 4967800 CPU: 14948.1, 0.00304935/step Wall: 14948.1, 0.00304935/step, 0.0272748 hours remaining, 207.679688 MB of memory in use. ENERGY: 4967800 781.3662 2105.6207 1941.3702 110.9136 -206229.7761 17926.3466 0.0000 0.0000 34139.1788 -149224.9800 298.1459 -183364.1588 -149126.3138 299.3025 0.5500 37.2813 557909.3732 11.4364 11.4208 PRESSURE: 4968000 148.329 136.745 -90.6267 136.747 -226.948 -22.9172 -90.6266 -22.9169 69.2492 GPRESSURE: 4968000 168.792 64.0083 -32.7827 138.959 -161.816 70.5025 -97.7391 -39.7486 72.7172 PRESSAVG: 4968000 3.78732 -7.9933 -45.088 -7.99331 6.29075 -58.2898 -45.088 -58.2898 -12.4425 GPRESSAVG: 4968000 3.9848 -7.84003 -45.9478 -9.76399 7.38789 -56.0755 -42.9625 -54.7469 -13.1723 TIMING: 4968000 CPU: 14948.7, 0.00301374/step Wall: 14948.7, 0.00301374/step, 0.0267888 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: 4968000 737.3726 2109.7960 1958.8386 104.4085 -206126.0135 17752.8696 0.0000 0.0000 34191.9477 -149270.7805 298.6068 -183462.7282 -149169.1557 299.3057 -3.1233 26.5644 557799.7133 -0.7882 -0.5999 PRESSURE: 4968200 -102.55 119.076 76.3916 119.076 -32.7176 167.474 76.3919 167.475 -286.107 GPRESSURE: 4968200 -20.4666 46.3157 32.1803 117.908 -57.4296 114.262 160.768 129.996 -246.212 PRESSAVG: 4968200 14.2634 11.1992 -44.9677 11.1993 -19.0005 -15.1987 -44.9676 -15.1987 48.5337 GPRESSAVG: 4968200 14.9239 10.0913 -48.1566 12.7206 -20.2652 -16.8657 -44.0933 -18.1057 50.0608 TIMING: 4968200 CPU: 14949.3, 0.00301326/step Wall: 14949.3, 0.00301326/step, 0.0266171 hours remaining, 207.679688 MB of memory in use. ENERGY: 4968200 759.5104 2090.5339 1958.7527 132.6270 -206357.5257 17772.3348 0.0000 0.0000 34479.2202 -149164.5467 301.1156 -183643.7669 -149066.3184 299.1751 -140.4581 -108.0361 559478.2654 14.5989 14.9065 LDB: ============= START OF LOAD BALANCING ============== 14952.8 Info: useSync: 0 useProxySync: 0 LDB: ============== END OF LOAD BALANCING =============== 14952.8 LDB: =============== DONE WITH MIGRATION ================ 14952.8 LDB: ============= START OF LOAD BALANCING ============== 14953.1 LDB: Largest compute 4820 load 0.029579 is 25.0% of average load 0.118179 LDB: Average compute 0.001718 is 1.5% of average load 0.118179 LDB: TIME 14953.1 LOAD: AVG 0.118179 MAX 0.214996 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.613 MB LDB: TIME 14953.1 LOAD: AVG 0.118179 MAX 0.214996 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.617 MB LDB: TIME 14953.1 LOAD: AVG 0.118179 MAX 0.214996 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.617 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14953.1 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14953.1 PRESSURE: 4968400 68.4009 1.83422 -59.2992 1.83509 198.587 -62.031 -59.2984 -62.0297 -118.306 GPRESSURE: 4968400 141.318 -29.6788 -12.0276 -31.6338 191.344 -12.2443 -76.8696 -126.805 -81.5427 PRESSAVG: 4968400 -13.3343 -14.4013 16.1548 -14.4014 11.2684 41.3424 16.1549 41.3424 28.4057 GPRESSAVG: 4968400 -13.1531 -11.5889 17.2265 -15.2372 12.9772 43.0238 14.3586 43.4484 27.0671 TIMING: 4968400 CPU: 14950, 0.00311346/step Wall: 14950, 0.00311346/step, 0.0273292 hours remaining, 207.210938 MB of memory in use. ENERGY: 4968400 761.6254 2075.1637 1943.8272 110.2178 -206555.2695 17944.3120 0.0000 0.0000 34255.4590 -149464.6644 299.1614 -183720.1234 -149368.4780 299.1538 49.5606 83.7065 556715.3000 8.7800 8.9637 PRESSURE: 4968600 120.055 107.466 -28.5405 107.467 -30.837 -127.106 -28.5409 -127.105 199.872 GPRESSURE: 4968600 138.992 106.413 -62.737 165.42 12.7338 -117.683 22.8166 -153.459 236.692 PRESSAVG: 4968600 -34.5739 58.673 6.19967 58.6729 19.9914 47.0143 6.19965 47.0144 8.6513 GPRESSAVG: 4968600 -34.2917 56.2377 5.81748 59.2497 18.2547 46.1555 7.83785 46.0522 9.3118 TIMING: 4968600 CPU: 14950.6, 0.00303407/step Wall: 14950.6, 0.00303407/step, 0.0264638 hours remaining, 207.210938 MB of memory in use. ENERGY: 4968600 723.4635 2059.3346 1968.7373 110.6540 -206495.6704 17907.3074 0.0000 0.0000 34323.0110 -149403.1625 299.7514 -183726.1735 -149318.2634 298.3666 96.3633 129.4726 557697.8801 -1.9770 -2.2417 PRESSURE: 4968800 -53.6063 28.1259 -14.406 28.1263 162.948 120.525 -14.4064 120.526 132.1 GPRESSURE: 4968800 -8.59359 17.7055 -25.8358 57.3523 214.418 83.9175 34.4649 105.243 127.329 PRESSAVG: 4968800 -20.9374 83.2917 -58.8944 83.2917 -40.0493 30.4414 -58.8943 30.4415 87.3674 GPRESSAVG: 4968800 -22.5577 83.8364 -58.1515 84.5338 -37.8102 28.8021 -58.9896 31.4546 86.5555 TIMING: 4968800 CPU: 14951.2, 0.00302643/step Wall: 14951.2, 0.00302643/step, 0.0262291 hours remaining, 207.210938 MB of memory in use. ENERGY: 4968800 770.9612 2076.8689 1965.0484 125.4028 -206340.4374 17830.0376 0.0000 0.0000 34409.1149 -149163.0037 300.5034 -183572.1186 -149069.2641 299.1654 80.4807 111.0511 556943.3301 8.7935 8.7292 PRESSURE: 4969000 -10.0329 -77.9767 -24.9161 -77.977 -52.4923 83.3172 -24.9141 83.3199 315.347 GPRESSURE: 4969000 69.9811 -35.5681 10.3356 -115.553 -17.4995 193.683 -39.8564 0.681918 300.219 PRESSAVG: 4969000 -11.8716 27.438 0.905937 27.4379 -14.3009 22.0824 0.906007 22.0824 21.2121 GPRESSAVG: 4969000 -11.2956 26.4632 3.53498 26.2253 -16.1014 23.2465 -1.35776 23.5025 22.6115 TIMING: 4969000 CPU: 14951.8, 0.00302877/step Wall: 14951.8, 0.00302877/step, 0.0260811 hours remaining, 207.210938 MB of memory in use. ENERGY: 4969000 750.7574 2088.0630 1974.9172 108.6379 -206366.2003 18011.3360 0.0000 0.0000 34305.4883 -149127.0004 299.5984 -183432.4887 -149023.9522 299.8440 84.2738 117.5669 558336.0740 -1.6535 -1.5952 PRESSURE: 4969200 -102.126 -67.463 101.009 -67.4627 59.1091 154.708 101.008 154.708 -17.3917 GPRESSURE: 4969200 -112.213 -43.5055 62.5699 -93.9086 57.5918 225.646 -47.7165 56.3597 93.5664 PRESSAVG: 4969200 -16.7975 56.3653 27.086 56.3653 -26.1583 -7.56066 27.086 -7.5606 67.1091 GPRESSAVG: 4969200 -16.9618 57.6675 24.591 56.8066 -25.4195 -9.55621 27.9898 -9.87048 66.5152 TIMING: 4969200 CPU: 14952.4, 0.00301442/step Wall: 14952.4, 0.00301442/step, 0.0257901 hours remaining, 207.210938 MB of memory in use. ENERGY: 4969200 755.1468 2092.4793 1949.6306 119.5561 -205885.3583 17633.8016 0.0000 0.0000 34489.4643 -148845.2795 301.2051 -183334.7438 -148747.7536 300.3062 -20.1361 12.9819 558094.2424 8.0511 8.0446 PRESSURE: 4969400 -116.406 195.294 -63.5101 195.294 191.199 -41.7837 -63.5105 -41.782 -3.55652 GPRESSURE: 4969400 -63.3358 201.497 -39.0994 92.8592 172.854 -104.032 -101.401 -69.2511 61.6489 PRESSAVG: 4969400 4.18479 81.3522 17.864 81.3522 4.72541 6.19992 17.8639 6.19996 12.0327 GPRESSAVG: 4969400 4.71685 78.7451 20.1227 82.4641 3.72881 9.79223 18.5104 7.66917 12.437 TIMING: 4969400 CPU: 14953, 0.00299946/step Wall: 14953, 0.00299946/step, 0.0254954 hours remaining, 207.210938 MB of memory in use. ENERGY: 4969400 747.8355 2101.2245 1945.4375 121.1083 -206081.2431 17699.0723 0.0000 0.0000 34473.6164 -148992.9485 301.0667 -183466.5649 -148895.4647 300.6754 23.7457 57.0558 556842.7123 6.9810 6.9609 PRESSURE: 4969600 -346.332 -26.3205 125.99 -26.3211 -307.526 42.2658 125.991 42.2652 -193.759 GPRESSURE: 4969600 -250.433 -7.39032 14.0953 -59.7651 -290.224 14.1875 127.99 32.8972 -216.712 PRESSAVG: 4969600 0.626572 20.9288 50.372 20.9289 -50.5437 40.6191 50.3719 40.6191 51.3249 GPRESSAVG: 4969600 0.590071 21.4254 46.963 21.2135 -49.9842 37.3779 51.963 40.9986 50.5298 TIMING: 4969600 CPU: 14953.6, 0.002995/step Wall: 14953.6, 0.002995/step, 0.0252911 hours remaining, 207.210938 MB of memory in use. ENERGY: 4969600 774.5000 2079.9433 1949.8971 116.5330 -205696.9238 17372.8117 0.0000 0.0000 34224.4850 -149178.7538 298.8909 -183403.2388 -149079.2411 299.9708 -282.5390 -252.4565 558760.7692 0.4693 0.3785 PRESSURE: 4969800 50.3666 36.7903 15.0239 36.7896 -256.468 64.8201 15.0253 64.821 -81.3151 GPRESSURE: 4969800 48.8515 50.5359 -62.1817 -41.9755 -243.277 39.6633 63.1982 79.6331 12.1077 PRESSAVG: 4969800 11.062 45.9743 13.7117 45.9744 21.7005 17.3924 13.7116 17.3925 -58.0278 GPRESSAVG: 4969800 11.1044 47.449 15.7486 44.4215 21.4773 18.8484 12.1241 17.6655 -58.6368 TIMING: 4969800 CPU: 14954.2, 0.00301116/step Wall: 14954.2, 0.00301116/step, 0.0252602 hours remaining, 207.210938 MB of memory in use. ENERGY: 4969800 778.3272 2079.8870 1959.5742 120.6310 -205976.8039 17604.4609 0.0000 0.0000 34267.0090 -149166.9145 299.2623 -183433.9235 -149064.9119 299.3140 -95.8054 -60.7725 557501.1279 -8.4217 -8.6850 PRESSURE: 4970000 -32.7997 32.1392 70.6958 32.1385 -7.97688 -56.2075 70.6944 -56.208 192.237 GPRESSURE: 4970000 6.30145 -27.7595 36.304 -24.8089 31.4348 -189.662 52.4559 17.3497 205.882 PRESSAVG: 4970000 14.0246 26.6029 9.05197 26.6028 -11.5792 -18.9558 9.05193 -18.9558 -12.5164 GPRESSAVG: 4970000 14.3428 28.109 10.9984 25.3654 -11.1879 -18.2188 8.66765 -23.1936 -13.3495 TIMING: 4970000 CPU: 14954.8, 0.0030264/step Wall: 14954.8, 0.0030264/step, 0.02522 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: 4970000 734.1902 2136.9819 1954.8252 117.8280 -206023.1482 17898.9743 0.0000 0.0000 34306.4087 -148873.9398 299.6064 -183180.3486 -148777.9472 299.8475 50.4870 81.2061 557805.8576 -3.3570 -3.3982 PRESSURE: 4970200 90.7738 -42.424 113.426 -42.4229 217.813 209.314 113.426 209.314 120.268 GPRESSURE: 4970200 98.4817 -2.76114 133.304 -79.5027 189.996 204.477 71.9771 170.567 231.745 PRESSAVG: 4970200 -41.2071 13.0196 20.2549 13.0197 -38.2584 -22.774 20.2548 -22.774 96.6562 GPRESSAVG: 4970200 -41.1902 11.6913 19.9413 15.0691 -38.4164 -23.1518 21.7078 -19.3233 96.7828 TIMING: 4970200 CPU: 14955.4, 0.00302955/step Wall: 14955.4, 0.00302955/step, 0.0250779 hours remaining, 207.210938 MB of memory in use. ENERGY: 4970200 780.5196 2089.8547 1963.7491 107.8441 -206288.4013 18075.1273 0.0000 0.0000 34329.2643 -148942.0421 299.8060 -183271.3064 -148844.7111 299.7843 142.9518 173.4077 558079.1954 5.7302 5.7254 PRESSURE: 4970400 -121.962 33.9776 39.381 33.9783 13.895 56.3056 39.3808 56.3057 -100.935 GPRESSURE: 4970400 -101.422 68.019 59.6892 -9.85098 44.3955 100.026 65.4044 69.9279 -55.6793 PRESSAVG: 4970400 -3.74966 51.0336 0.818084 51.0336 19.7854 -29.7814 0.8181 -29.7814 -26.387 GPRESSAVG: 4970400 -5.82856 50.2087 0.866099 51.1596 19.9772 -30.493 0.808619 -30.2274 -23.9845 TIMING: 4970400 CPU: 14956, 0.00302153/step Wall: 14956, 0.00302153/step, 0.0248437 hours remaining, 207.210938 MB of memory in use. ENERGY: 4970400 747.0717 2173.9636 1917.1977 132.2015 -205893.0754 17724.9601 0.0000 0.0000 34227.1929 -148970.4878 298.9146 -183197.6807 -148875.4459 299.7489 -69.6673 -37.5687 558504.8074 -3.4504 -3.2786 PRESSURE: 4970600 -36.6423 39.7986 105.686 39.7978 -110.746 -37.2887 105.687 -37.288 -218.962 GPRESSURE: 4970600 -28.6114 -40.6322 86.949 11.4992 -41.6749 -32.2288 167.152 -96.9693 -201.693 PRESSAVG: 4970600 -9.60801 33.0957 2.90511 33.0956 28.5832 11.8199 2.90519 11.8199 8.51763 GPRESSAVG: 4970600 -7.58223 32.2416 0.794393 33.313 27.4576 10.5522 2.52148 13.2107 7.58333 TIMING: 4970600 CPU: 14956.6, 0.00303626/step Wall: 14956.6, 0.00303626/step, 0.0247961 hours remaining, 207.210938 MB of memory in use. ENERGY: 4970600 773.3227 2117.4646 1946.6241 101.5269 -205939.4781 17555.3998 0.0000 0.0000 34386.1491 -149058.9909 300.3028 -183445.1400 -148958.2454 300.3147 -122.1169 -90.6598 556836.2057 9.1643 9.1529 PRESSURE: 4970800 -20.0935 -124.696 42.8047 -124.695 -63.1817 -88.4331 42.8039 -88.432 -54.6122 GPRESSURE: 4970800 -13.9537 -9.74571 -4.36217 -218.618 -11.1684 26.1012 112.238 -157.263 -23.7803 PRESSAVG: 4970800 30.2573 -21.7167 -43.2892 -21.7167 27.8689 -51.804 -43.2894 -51.804 -67.532 GPRESSAVG: 4970800 29.1278 -21.5373 -42.3791 -21.6375 28.6148 -51.4641 -41.3872 -54.1549 -67.0765 TIMING: 4970800 CPU: 14957.2, 0.00301972/step Wall: 14957.2, 0.00301972/step, 0.0244933 hours remaining, 207.210938 MB of memory in use. ENERGY: 4970800 736.3610 2093.4510 1962.6979 117.1449 -205984.8154 17648.5531 0.0000 0.0000 34647.7000 -148778.9075 302.5870 -183426.6075 -148685.8631 300.3676 -45.9625 -16.3008 556538.4300 -3.1353 -3.1113 PRESSURE: 4971000 -103.234 183.277 132.872 183.277 16.7126 -41.3318 132.872 -41.3319 58.478 GPRESSURE: 4971000 1.19992 209.753 165.798 192.873 -13.3771 -28.5594 190.563 -132.385 72.2797 PRESSAVG: 4971000 -3.00892 -12.9779 22.4442 -12.9779 -113.652 12.286 22.4442 12.286 70.5554 GPRESSAVG: 4971000 -1.15327 -12.6841 22.0628 -11.4021 -114.813 11.796 21.4404 14.951 70.2721 TIMING: 4971000 CPU: 14957.8, 0.00300491/step Wall: 14957.8, 0.00300491/step, 0.0242062 hours remaining, 207.210938 MB of memory in use. ENERGY: 4971000 773.8936 2074.3255 1974.3250 112.5878 -205905.8535 17669.5368 0.0000 0.0000 34466.6833 -148834.5014 301.0061 -183301.1847 -148743.0545 300.2104 -9.3478 20.0342 557979.4663 -15.3685 -15.2314 PRESSURE: 4971200 164.334 4.29844 -37.4825 4.29803 -156.954 -21.6759 -37.482 -21.6788 159.863 GPRESSURE: 4971200 165.476 -67.0684 -30.2088 102.435 -67.1716 38.0702 -51.3122 -133.467 182.471 PRESSAVG: 4971200 9.95181 53.7233 2.45977 53.7232 17.7343 -33.987 2.45975 -33.9869 5.84766 GPRESSAVG: 4971200 8.32972 54.0207 3.71302 53.2198 18.351 -32.3471 1.08432 -34.9451 6.49739 TIMING: 4971200 CPU: 14958.4, 0.0030457/step Wall: 14958.4, 0.0030457/step, 0.0243656 hours remaining, 207.210938 MB of memory in use. ENERGY: 4971200 783.6381 2104.1485 1945.7587 120.5633 -206122.7218 17908.8438 0.0000 0.0000 34322.6441 -148937.1254 299.7482 -183259.7695 -148844.2150 300.9259 55.7474 93.5918 558951.2538 11.1779 11.0594 PRESSURE: 4971400 143.209 277.805 -146.311 277.805 141.393 6.48142 -146.31 6.48308 218.553 GPRESSURE: 4971400 145.096 262.535 -145.96 180.436 210.591 -68.2997 -65.8174 78.1119 247.503 PRESSAVG: 4971400 -69.31 20.743 25.0053 20.7431 15.9225 -33.09 25.0053 -33.09 52.9281 GPRESSAVG: 4971400 -68.5078 19.697 23.5156 18.5262 16.294 -34.2591 26.1416 -31.7846 51.8682 TIMING: 4971400 CPU: 14959, 0.00304814/step Wall: 14959, 0.00304814/step, 0.0242158 hours remaining, 207.265625 MB of memory in use. ENERGY: 4971400 759.4791 2125.7072 1936.7952 111.4278 -206491.6323 18138.6546 0.0000 0.0000 34374.1022 -149045.4662 300.1976 -183419.5684 -148946.1225 299.4986 167.7184 201.0633 558222.6907 -0.1532 -0.1152 PRESSURE: 4971600 -176.436 -34.0956 -111.286 -34.0951 16.8511 -96.5323 -111.286 -96.5329 28.0611 GPRESSURE: 4971600 -181.967 -28.9863 -115.918 -95.5517 87.3648 -43.7203 4.11849 -124.826 66.2334 PRESSAVG: 4971600 -44.3688 5.43361 -3.76224 5.43365 -15.9673 42.0704 -3.76232 42.0704 73.8423 GPRESSAVG: 4971600 -44.9167 6.95738 -2.67289 5.77293 -15.4218 43.6413 -2.74169 39.9634 74.0171 TIMING: 4971600 CPU: 14959.6, 0.00305265/step Wall: 14959.6, 0.00305265/step, 0.024082 hours remaining, 207.265625 MB of memory in use. ENERGY: 4971600 774.8172 2098.0827 1961.0511 117.1886 -206073.2122 17748.9689 0.0000 0.0000 34222.3666 -149150.7371 298.8724 -183373.1037 -149049.3839 299.8197 -43.8414 -9.4564 558148.1916 4.5021 4.5595 PRESSURE: 4971800 -92.886 27.3909 22.7835 27.3906 -49.9585 -44.2501 22.7836 -44.2485 -315.735 GPRESSURE: 4971800 -65.3224 65.0081 -58.6483 58.9783 -19.451 -85.6828 44.0244 10.9906 -272.787 PRESSAVG: 4971800 -62.2405 3.72954 -4.35058 3.72954 47.9975 -27.7638 -4.35059 -27.7638 18.0164 GPRESSAVG: 4971800 -62.1417 4.17909 -4.80816 4.61284 47.1998 -29.1403 -6.81684 -26.6129 18.718 TIMING: 4971800 CPU: 14960.3, 0.00305747/step Wall: 14960.3, 0.00305747/step, 0.0239502 hours remaining, 207.265625 MB of memory in use. ENERGY: 4971800 780.6555 2144.8298 1944.7290 125.6474 -205894.3748 17688.9673 0.0000 0.0000 34047.9305 -149161.6153 297.3490 -183209.5458 -149063.7846 299.1504 -152.8598 -119.1868 559747.6023 1.2578 1.2587 PRESSURE: 4972000 -192.477 61.0619 -26.3984 61.0613 -144.931 -82.5472 -26.3989 -82.5477 -297.015 GPRESSURE: 4972000 -154.21 44.4795 19.3369 112.374 -79.4854 -139.563 -84.3999 47.5959 -309.749 PRESSAVG: 4972000 24.6999 -10.0767 55.2228 -10.0767 -15.3897 -13.0038 55.2228 -13.0039 -34.6663 GPRESSAVG: 4972000 23.674 -11.018 56.5275 -11.1916 -14.4619 -12.7457 55.9298 -10.999 -34.7525 TIMING: 4972000 CPU: 14960.9, 0.00306224/step Wall: 14960.9, 0.00306224/step, 0.0238174 hours remaining, 207.265625 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: 4972000 743.7148 2130.3217 1953.2582 114.2551 -206191.6190 17668.5457 0.0000 0.0000 34380.9011 -149200.6225 300.2570 -183581.5236 -149104.0559 299.4041 -211.4741 -181.1482 559768.6368 -8.4520 -8.5135 PRESSURE: 4972200 -251.652 -30.1942 -164.079 -30.1942 55.0553 -34.3812 -164.078 -34.3797 -295.942 GPRESSURE: 4972200 -205.467 10.8077 -133.903 -88.6374 39.4659 -53.7314 -131.381 -45.441 -239.018 PRESSAVG: 4972200 -19.7112 -36.7759 -17.1001 -36.7759 -26.0162 -4.87342 -17.1 -4.87328 10.1911 GPRESSAVG: 4972200 -18.7253 -35.5088 -17.7017 -36.2961 -27.3815 -3.94632 -16.5418 -6.49271 9.9749 TIMING: 4972200 CPU: 14961.5, 0.0030661/step Wall: 14961.5, 0.0030661/step, 0.0236771 hours remaining, 207.265625 MB of memory in use. ENERGY: 4972200 784.5672 2044.4912 1962.3100 114.2991 -206185.9696 17772.2817 0.0000 0.0000 34163.7754 -149344.2450 298.3607 -183508.0204 -149242.8109 299.2305 -164.1797 -135.0062 558429.0620 -11.8454 -12.0440 LDB: ============= START OF LOAD BALANCING ============== 14964.9 LDB: ============== END OF LOAD BALANCING =============== 14964.9 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14964.9 LDB: ============= START OF LOAD BALANCING ============== 14965.2 LDB: Largest compute 4820 load 0.028851 is 24.4% of average load 0.118222 LDB: Average compute 0.001723 is 1.5% of average load 0.118222 LDB: TIME 14965.2 LOAD: AVG 0.118222 MAX 0.213938 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 209.059 MB LDB: TIME 14965.2 LOAD: AVG 0.118222 MAX 0.213938 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.121 MB LDB: TIME 14965.2 LOAD: AVG 0.118222 MAX 0.213938 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 209.121 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14965.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14965.2 PRESSURE: 4972400 -162.929 -89.6084 129.169 -89.6085 -73.5817 -42.4045 129.17 -42.4044 -247.891 GPRESSURE: 4972400 -76.6521 -80.6337 86.2647 -78.8682 -57.7524 -110.293 146.062 12.9987 -257.468 PRESSAVG: 4972400 16.7538 -17.1575 -4.59142 -17.1576 64.561 61.0527 -4.5915 61.0526 -68.1328 GPRESSAVG: 4972400 16.2498 -17.6531 -3.79018 -18.5307 64.8201 59.959 -6.54223 62.7063 -68.0806 TIMING: 4972400 CPU: 14962.1, 0.00308302/step Wall: 14962.1, 0.00308302/step, 0.0236365 hours remaining, 208.054688 MB of memory in use. ENERGY: 4972400 756.7870 2064.6014 1959.4535 119.8996 -206079.2569 17585.3529 0.0000 0.0000 34179.4336 -149413.7290 298.4975 -183593.1626 -149311.6411 298.9052 -161.4673 -130.6242 558646.6995 4.3940 4.3298 PRESSURE: 4972600 -44.1358 173.001 -25.4814 173.001 -335.284 -20.3684 -25.4814 -20.3696 -293.164 GPRESSURE: 4972600 -35.4511 157.08 -25.0073 170.959 -265.463 -68.8947 -109.682 -39.9141 -272.319 PRESSAVG: 4972600 -19.5248 29.3379 21.5612 29.3378 33.0307 23.5575 21.5612 23.5575 10.1987 GPRESSAVG: 4972600 -19.9793 28.2055 19.4955 31.0895 34.358 22.5668 22.7082 22.2908 9.79197 TIMING: 4972600 CPU: 14962.7, 0.00301061/step Wall: 14962.7, 0.00301061/step, 0.0229141 hours remaining, 208.054688 MB of memory in use. ENERGY: 4972600 747.3449 2097.8464 1965.7785 115.4724 -206251.2858 17635.2206 0.0000 0.0000 34188.5154 -149501.1076 298.5768 -183689.6229 -149401.0602 298.7262 -224.1945 -191.0775 558441.1941 7.9015 8.0569 PRESSURE: 4972800 -71.5806 -49.9182 99.3542 -49.919 18.6031 -91.6382 99.3536 -91.6368 57.8915 GPRESSURE: 4972800 -47.2848 -57.7938 65.1587 -76.0435 63.5957 -30.006 114 -101.269 89.2434 PRESSAVG: 4972800 43.5806 2.44187 31.5152 2.44198 100.192 3.8627 31.5152 3.86261 -122.045 GPRESSAVG: 4972800 42.5105 3.62156 33.1883 3.2026 100.808 5.7947 31.217 3.32767 -121.658 TIMING: 4972800 CPU: 14963.3, 0.00300663/step Wall: 14963.3, 0.00300663/step, 0.0227168 hours remaining, 208.054688 MB of memory in use. ENERGY: 4972800 753.4435 2056.3807 1959.1306 104.2017 -206474.4800 17863.4218 0.0000 0.0000 34090.7402 -149647.1616 297.7229 -183737.9018 -149554.6720 298.3126 1.6380 35.1848 557196.5342 7.2426 7.2202 PRESSURE: 4973000 -70.0587 119.226 62.3055 119.228 296.682 -28.5611 62.3057 -28.56 258.043 GPRESSURE: 4973000 2.81273 103.999 96.6894 208.442 300.144 -81.0934 67.3101 -35.7346 261.346 PRESSAVG: 4973000 -4.2522 18.7109 71.8954 18.7109 6.61442 -2.53974 71.8954 -2.53963 37.3575 GPRESSAVG: 4973000 -4.35599 17.6275 67.8779 18.091 6.38796 -3.89137 73.4127 -2.24248 37.2214 TIMING: 4973000 CPU: 14963.9, 0.00303432/step Wall: 14963.9, 0.00303432/step, 0.0227574 hours remaining, 208.054688 MB of memory in use. ENERGY: 4973000 751.1102 2073.8211 1963.1051 121.3734 -206767.7849 18062.1295 0.0000 0.0000 34258.2145 -149538.0311 299.1855 -183796.2456 -149444.1880 298.2766 161.5556 188.1008 555907.5224 13.2399 13.0844 PRESSURE: 4973200 39.9468 22.7868 -58.9283 22.7867 -188.64 -108.277 -58.9279 -108.278 -224.348 GPRESSURE: 4973200 42.7965 -99.2639 -16.95 147.24 -99.0019 -140.351 -89.3447 -109.181 -209.875 PRESSAVG: 4973200 29.4784 -2.54911 -21.6851 -2.54918 -5.17316 -11.4405 -21.685 -11.4405 -35.6124 GPRESSAVG: 4973200 31.1152 -4.76216 -18.6067 -3.00397 -5.12359 -10.1339 -22.6687 -12.3664 -37.0482 TIMING: 4973200 CPU: 14964.5, 0.00301846/step Wall: 14964.5, 0.00301846/step, 0.0224707 hours remaining, 208.140625 MB of memory in use. ENERGY: 4973200 766.9193 2100.6640 1962.5795 102.1938 -206142.0607 17698.2335 0.0000 0.0000 33998.6043 -149512.8663 296.9183 -183511.4706 -149417.5121 298.7997 -124.3471 -88.6935 556807.2101 -3.7690 -3.6855 PRESSURE: 4973400 10.5057 108.142 89.5456 108.143 -199.286 -47.9838 89.5462 -47.9839 56.3974 GPRESSURE: 4973400 33.4971 51.6358 176.17 79.3062 -139.853 -33.1937 61.572 -36.2677 78.9511 PRESSAVG: 4973400 33.1818 12.687 29.5949 12.687 -6.9034 -97.3397 29.5948 -97.3398 -1.03261 GPRESSAVG: 4973400 33.8487 14.7993 29.2774 12.0182 -8.05266 -95.4897 29.8298 -96.722 -0.659474 TIMING: 4973400 CPU: 14965.1, 0.0030377/step Wall: 14965.1, 0.0030377/step, 0.0224452 hours remaining, 208.140625 MB of memory in use. ENERGY: 4973400 763.5727 2114.2262 1928.2880 118.8830 -206697.6103 17833.3607 0.0000 0.0000 34503.0402 -149436.2397 301.3236 -183939.2798 -149340.3875 298.6326 -44.1276 -9.1350 555299.4350 8.4153 8.3788 PRESSURE: 4973600 0.72066 -75.9664 48.1012 -75.9665 148.372 5.45143 48.1013 5.4507 152.978 GPRESSURE: 4973600 -3.6895 -108.697 -12.5182 -67.1683 197.849 56.2433 -9.23356 -69.5938 214.974 PRESSAVG: 4973600 -36.3154 47.525 -35.3616 47.5249 0.476663 -7.01495 -35.3616 -7.01494 1.50348 GPRESSAVG: 4973600 -37.7469 46.5367 -35.6924 49.034 0.888519 -10.3591 -37.2797 -6.96533 3.45221 TIMING: 4973600 CPU: 14965.7, 0.00302094/step Wall: 14965.7, 0.00302094/step, 0.0221535 hours remaining, 208.140625 MB of memory in use. ENERGY: 4973600 769.2135 2086.5048 1937.5775 114.1905 -206669.4799 18032.9155 0.0000 0.0000 34356.6929 -149372.3852 300.0455 -183729.0781 -149282.2005 299.1559 100.6902 136.3779 555060.0757 -11.4451 -11.1354 PRESSURE: 4973800 -144.065 84.8388 21.9168 84.8376 -397.947 32.5749 21.9176 32.575 -187.419 GPRESSURE: 4973800 -98.4291 133.462 -81.1869 8.51172 -343.189 109.793 -2.30991 62.2772 -182.213 PRESSAVG: 4973800 -43.2402 41.9408 -2.53483 41.9409 -35.8758 28.8788 -2.5348 28.8787 65.0436 GPRESSAVG: 4973800 -41.1666 41.9469 -3.07139 41.8171 -36.9182 30.9379 -1.39612 27.5243 63.8015 TIMING: 4973800 CPU: 14966.3, 0.00303072/step Wall: 14966.3, 0.00303072/step, 0.0220569 hours remaining, 208.140625 MB of memory in use. ENERGY: 4973800 800.4032 2124.6865 1925.9012 103.8772 -206059.1366 17612.1941 0.0000 0.0000 34052.3290 -149439.7454 297.3875 -183492.0743 -149346.2505 299.0633 -243.1438 -207.9436 557007.3711 -4.6908 -4.7611 PRESSURE: 4974000 -142.105 -110.058 -93.6023 -110.059 -182.603 135.671 -93.6021 135.672 99.2375 GPRESSURE: 4974000 -107.09 -133.272 -78.5098 -127.948 -79.5701 124.115 -120.17 159.914 68.1144 PRESSAVG: 4974000 1.87632 -48.9347 -33.0997 -48.9347 -68.2035 -23.7697 -33.0996 -23.7697 68.4616 GPRESSAVG: 4974000 0.355251 -49.1253 -32.7578 -51.8758 -65.7876 -24.4657 -33.5036 -23.292 67.8075 TIMING: 4974000 CPU: 14966.9, 0.00299597/step Wall: 14966.9, 0.00299597/step, 0.0216376 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: 4974000 792.3530 2102.4252 1925.9370 106.9559 -206496.6669 17821.8695 0.0000 0.0000 34166.6805 -149580.4457 298.3861 -183747.1262 -149480.8296 297.7808 -75.1569 -39.5153 556796.9850 0.7115 0.7917 PRESSURE: 4974200 -68.9852 -74.888 162.334 -74.8878 -369.455 -22.0862 162.334 -22.0866 -42.079 GPRESSURE: 4974200 -52.7137 -85.6741 115.636 -74.9794 -347.574 -62.022 115.755 -27.4488 8.46703 PRESSAVG: 4974200 7.4275 1.55696 -13.4807 1.55706 34.8509 14.176 -13.4808 14.176 -42.0195 GPRESSAVG: 4974200 8.94858 2.48769 -13.8079 3.39568 33.9144 15.5456 -14.9496 13.4621 -41.8667 TIMING: 4974200 CPU: 14967.5, 0.00300092/step Wall: 14967.5, 0.00300092/step, 0.0215066 hours remaining, 208.140625 MB of memory in use. ENERGY: 4974200 715.6204 2084.7649 1938.7490 103.3363 -206283.1000 17505.0440 0.0000 0.0000 34283.7295 -149651.8559 299.4083 -183935.5854 -149549.6524 298.5643 -160.1730 -130.6068 557198.2139 0.0863 0.3321 PRESSURE: 4974400 78.5095 90.107 -105.878 90.1067 198.587 -31.1199 -105.879 -31.1184 278.344 GPRESSURE: 4974400 229.399 102.191 -103.955 56.8529 168.919 -154.563 -122.006 0.685935 251.236 PRESSAVG: 4974400 -2.47577 -25.6877 -53.2235 -25.6877 12.1916 -59.2043 -53.2235 -59.2042 11.7372 GPRESSAVG: 4974400 -2.86748 -26.2397 -51.4143 -24.9318 12.6242 -62.0435 -51.8456 -56.3387 11.6654 TIMING: 4974400 CPU: 14968.1, 0.00301768/step Wall: 14968.1, 0.00301768/step, 0.021459 hours remaining, 208.140625 MB of memory in use. ENERGY: 4974400 727.5873 2109.9091 1942.3342 117.8687 -207094.1534 18168.8330 0.0000 0.0000 34465.2794 -149562.3416 300.9939 -184027.6211 -149469.7408 298.7406 185.1469 216.5180 555841.7844 7.1510 7.1407 PRESSURE: 4974600 62.8028 -13.1215 -66.6997 -13.1219 -217.975 -96.8123 -66.7008 -96.8128 -90.1546 GPRESSURE: 4974600 83.7295 73.0923 59.1747 20.1392 -187.757 -25.896 -118.364 -117.589 -37.3524 PRESSAVG: 4974600 16.0796 -11.481 -54.9457 -11.481 22.492 -38.353 -54.9458 -38.3532 2.46701 GPRESSAVG: 4974600 15.6139 -12.2678 -55.9193 -12.0915 21.7354 -35.262 -54.1636 -40.0518 3.57875 TIMING: 4974600 CPU: 14968.7, 0.00302911/step Wall: 14968.7, 0.00302911/step, 0.021372 hours remaining, 208.140625 MB of memory in use. ENERGY: 4974600 720.6872 2075.9062 1941.6666 116.5545 -206597.9581 17688.4402 0.0000 0.0000 34386.6186 -149668.0848 300.3069 -184054.7034 -149568.2416 298.9370 -81.7756 -47.1265 556116.6153 13.6795 13.6427 PRESSURE: 4974800 -186.858 89.5917 -184.53 89.5916 -91.6852 -144.694 -184.531 -144.691 -8.73457 GPRESSURE: 4974800 -186.233 90.7456 -108.15 141.14 -38.7254 -99.0476 -147.909 -161.307 19.0528 PRESSAVG: 4974800 7.3177 -1.24888 -34.308 -1.24885 0.0839829 -108.367 -34.3081 -108.367 -6.62297 GPRESSAVG: 4974800 6.69386 -1.92391 -33.0913 -1.2314 0.159016 -110.797 -36.4083 -107.39 -6.94157 TIMING: 4974800 CPU: 14969.3, 0.00304779/step Wall: 14969.3, 0.00304779/step, 0.0213345 hours remaining, 208.140625 MB of memory in use. ENERGY: 4974800 761.3246 2067.1192 1933.3086 97.4948 -206256.8841 17667.3204 0.0000 0.0000 34277.3406 -149452.9759 299.3525 -183730.3165 -149354.8727 298.0167 -95.7594 -68.6353 557365.4554 0.2596 -0.0296 PRESSURE: 4975000 -294.247 -3.30923 -116.579 -3.30956 -227.356 95.1887 -116.579 95.1877 -234.354 GPRESSURE: 4975000 -234.676 -63.6933 -102.917 0.71356 -192.531 35.2035 -77.2025 143.2 -222.638 PRESSAVG: 4975000 -8.35642 4.37868 -21.7195 4.37864 17.3137 -78.0165 -21.7196 -78.0164 22.8208 GPRESSAVG: 4975000 -7.95198 4.66244 -23.1911 4.09409 17.7033 -77.314 -20.1149 -78.3367 22.333 TIMING: 4975000 CPU: 14970, 0.00303436/step Wall: 14970, 0.00303436/step, 0.0210719 hours remaining, 208.140625 MB of memory in use. ENERGY: 4975000 746.7654 2117.9829 1939.7649 117.3761 -206152.6338 17433.6765 0.0000 0.0000 33979.5812 -149817.4868 296.7521 -183797.0680 -149719.4615 297.8731 -251.9858 -216.6154 558488.3051 10.5927 10.6948 PRESSURE: 4975200 -40.8289 -168.009 87.3954 -168.009 -170.564 -13.6174 87.3968 -13.6166 -26.4398 GPRESSURE: 4975200 -23.5675 -179.276 79.3491 -154.367 -131.005 -33.6461 90.6235 -55.6048 7.66953 PRESSAVG: 4975200 0.294248 -46.3933 -33.0188 -46.3934 -8.99926 -36.5277 -33.0188 -36.5277 -28.6297 GPRESSAVG: 4975200 -0.0404708 -46.7488 -32.2287 -44.7851 -8.25944 -37.1163 -35.0343 -36.4605 -29.2149 TIMING: 4975200 CPU: 14970.6, 0.00302967/step Wall: 14970.6, 0.00302967/step, 0.020871 hours remaining, 208.140625 MB of memory in use. ENERGY: 4975200 755.5652 2147.8189 1964.7305 115.1855 -206423.2795 17746.5350 0.0000 0.0000 34080.6481 -149612.7963 297.6348 -183693.4444 -149519.3771 298.3412 -79.2775 -48.9676 557040.7323 -12.4449 -12.5050 PRESSURE: 4975400 -93.1954 124.83 115.06 124.83 186.038 88.5343 115.06 88.5325 -71.1146 GPRESSURE: 4975400 -39.4704 72.1604 92.7414 131.022 176.634 40.8799 129.893 150.968 -14.2222 PRESSAVG: 4975400 12.4127 -16.753 -49.6325 -16.7531 2.76782 3.62397 -49.6324 3.62396 37.5016 GPRESSAVG: 4975400 13.3497 -16.6866 -48.103 -17.2041 2.26014 2.43439 -48.6614 5.46786 37.2395 TIMING: 4975400 CPU: 14971.2, 0.00305408/step Wall: 14971.2, 0.00305408/step, 0.0208695 hours remaining, 208.140625 MB of memory in use. ENERGY: 4975400 717.8393 2057.7669 1931.4859 119.9635 -206368.7107 17836.4871 0.0000 0.0000 34133.4156 -149571.7524 298.0956 -183705.1680 -149467.0343 298.2704 7.2426 40.9805 557104.7701 17.5607 17.6164 PRESSURE: 4975600 242.158 -44.2878 -117.869 -44.2879 -105.999 16.5045 -117.87 16.5033 -134.947 GPRESSURE: 4975600 256.635 5.73936 -142.99 -18.678 -84.9406 41.4453 -126.765 73.5065 -57.7847 PRESSAVG: 4975600 49.9143 -76.1781 -59.2965 -76.1782 -15.0464 -27.7779 -59.2965 -27.7778 -33.6475 GPRESSAVG: 4975600 50.3669 -73.1428 -62.053 -77.5384 -16.3669 -26.2616 -58.3122 -28.5115 -32.7125 TIMING: 4975600 CPU: 14971.8, 0.00303996/step Wall: 14971.8, 0.00303996/step, 0.0206042 hours remaining, 208.140625 MB of memory in use. ENERGY: 4975600 711.3415 2048.6918 1939.7541 128.9305 -206508.1109 17848.8211 0.0000 0.0000 34199.0642 -149631.5077 298.6689 -183830.5719 -149533.5827 298.0293 0.4039 37.9699 557150.6438 0.4068 0.4291 PRESSURE: 4975800 195.881 -181.599 4.85888 -181.599 -202.165 -78.7446 4.85821 -78.743 0.153852 GPRESSURE: 4975800 216.261 -78.6018 -11.0878 -240.535 -186.759 -105.925 -1.48501 -96.0754 75.2038 PRESSAVG: 4975800 13.5521 -41.3493 7.28922 -41.3493 -26.3315 -10.359 7.28922 -10.3591 -9.4638 GPRESSAVG: 4975800 12.5907 -43.0419 9.20497 -42.8707 -24.5043 -9.6343 7.71804 -10.0533 -10.2093 TIMING: 4975800 CPU: 14972.4, 0.00305633/step Wall: 14972.4, 0.00305633/step, 0.0205453 hours remaining, 208.140625 MB of memory in use. ENERGY: 4975800 715.0455 2071.2518 1926.0277 110.3380 -206277.8641 17813.9495 0.0000 0.0000 34108.5359 -149532.7157 297.8783 -183641.2516 -149429.5923 298.0017 -2.0433 34.9017 557830.9741 -7.4144 -7.3743 PRESSURE: 4976000 -241.778 -77.6676 -48.3049 -77.6683 104.582 -12.8536 -48.3034 -12.8515 3.26014 GPRESSURE: 4976000 -229.426 -80.7834 -108.318 -163.905 126.099 -6.42055 -68.754 -51.5203 67.1954 PRESSAVG: 4976000 20.3878 11.321 -7.8414 11.321 18.0595 -23.9893 -7.84131 -23.9894 -28.7866 GPRESSAVG: 4976000 20.848 10.9452 -8.24162 13.251 17.1842 -24.5589 -9.92694 -24.0338 -28.4048 TIMING: 4976000 CPU: 14973, 0.00304957/step Wall: 14973, 0.00304957/step, 0.0203304 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: 4976000 762.4072 2107.0364 1935.6344 119.3219 -206312.6250 17802.5895 0.0000 0.0000 34140.8471 -149444.7884 298.1605 -183585.6355 -149353.6186 298.3517 -44.6452 -12.0438 557272.6379 3.2203 3.2091 PRESSURE: 4976200 -241.347 -121.068 80.4907 -121.071 -29.0666 -17.9233 80.4915 -17.9257 -37.7475 GPRESSURE: 4976200 -178.763 -145.125 118.609 -175.152 14.3524 -23.1974 58.1946 52.6268 -47.8817 PRESSAVG: 4976200 4.33896 15.6237 -4.9622 15.6237 3.31927 33.9711 -4.96217 33.9712 8.02581 GPRESSAVG: 4976200 4.58561 14.1578 -6.13965 14.4911 4.58 33.855 -5.07479 33.6065 7.03868 TIMING: 4976200 CPU: 14973.6, 0.00303537/step Wall: 14973.6, 0.00303537/step, 0.0200672 hours remaining, 208.140625 MB of memory in use. ENERGY: 4976200 789.1134 2102.8672 1925.8283 102.4105 -206370.7141 17803.3895 0.0000 0.0000 34238.1099 -149408.9953 299.0099 -183647.1052 -149318.4694 298.7899 -102.7202 -70.7641 557044.0018 5.2280 5.4014 LDB: ============= START OF LOAD BALANCING ============== 14977 LDB: ============== END OF LOAD BALANCING =============== 14977 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14977 LDB: ============= START OF LOAD BALANCING ============== 14977.3 LDB: Largest compute 4820 load 0.027557 is 23.3% of average load 0.118236 LDB: Average compute 0.001711 is 1.4% of average load 0.118236 LDB: TIME 14977.3 LOAD: AVG 0.118236 MAX 0.215437 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.547 MB LDB: TIME 14977.3 LOAD: AVG 0.118236 MAX 0.215437 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: TIME 14977.3 LOAD: AVG 0.118236 MAX 0.215437 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.609 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14977.3 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14977.3 PRESSURE: 4976400 -67.6696 -40.2186 46.1041 -40.2176 -203.55 11.006 46.1045 11.0054 -201.713 GPRESSURE: 4976400 -92.1223 -32.9502 -22.6164 -91.2024 -152.324 -65.5319 21.7887 -23.2298 -146.032 PRESSAVG: 4976400 44.7532 5.8138 -17.2502 5.81381 26.4656 -48.6657 -17.2502 -48.6657 -16.8529 GPRESSAVG: 4976400 43.7492 6.80699 -17.1342 8.58978 26.8465 -47.4706 -16.5476 -48.4099 -16.1938 TIMING: 4976400 CPU: 14974.2, 0.00308275/step Wall: 14974.2, 0.00308275/step, 0.0202092 hours remaining, 208.058594 MB of memory in use. ENERGY: 4976400 744.5538 2102.7568 1944.2398 122.2229 -206356.7363 17620.6876 0.0000 0.0000 34230.8027 -149591.4727 298.9461 -183822.2754 -149498.7894 298.5137 -157.6441 -130.1596 557853.4551 18.1220 18.1340 PRESSURE: 4976600 -85.0018 139.747 -64.1497 139.746 -408.046 169.395 -64.1498 169.394 -155.619 GPRESSURE: 4976600 -59.2991 196.661 -12.872 36.7411 -339.767 151.369 -127.309 119.812 -150.611 PRESSAVG: 4976600 25.9435 -36.9944 -9.373 -36.9946 -48.1847 41.8089 -9.37304 41.8089 3.0863 GPRESSAVG: 4976600 25.8061 -36.1685 -9.88653 -39.7514 -49.3139 39.9632 -9.49834 41.0859 4.18964 TIMING: 4976600 CPU: 14974.8, 0.00303446/step Wall: 14974.8, 0.00303446/step, 0.019724 hours remaining, 208.261719 MB of memory in use. ENERGY: 4976600 825.6567 2067.0536 1924.6574 98.4466 -206488.9478 17870.4680 0.0000 0.0000 33952.4404 -149750.2250 296.5151 -183702.6655 -149656.1418 298.5867 -216.2223 -183.2259 558301.9600 -6.3850 -6.4394 PRESSURE: 4976800 -281.74 48.0093 146.344 48.0105 79.3869 23.2445 146.343 23.2438 -265.16 GPRESSURE: 4976800 -226.823 56.6652 169.981 -19.0175 111.739 -1.33941 91.2295 139.152 -242.989 PRESSAVG: 4976800 19.8629 -5.01133 65.7609 -5.01137 62.0107 65.7806 65.761 65.7805 -72.069 GPRESSAVG: 4976800 21.1232 -7.31664 66.6667 -3.35343 63.504 66.3232 65.2251 64.6886 -74.0046 TIMING: 4976800 CPU: 14975.4, 0.00306471/step Wall: 14975.4, 0.00306471/step, 0.0197503 hours remaining, 208.261719 MB of memory in use. ENERGY: 4976800 752.8840 2068.6796 1924.7314 103.4837 -206398.1139 17685.8215 0.0000 0.0000 34192.7687 -149669.7450 298.6140 -183862.5138 -149569.3684 298.2084 -155.8377 -119.3579 556840.0955 3.2682 3.5409 PRESSURE: 4977000 39.6512 -20.3178 116.352 -20.3184 -170.42 17.475 116.352 17.4729 -143.238 GPRESSURE: 4977000 18.9303 21.3811 88.6509 -125.791 -90.278 1.15352 44.2806 23.5076 -105.377 PRESSAVG: 4977000 27.8975 -12.2673 10.0968 -12.2673 15.2719 39.7583 10.0968 39.7583 -47.1946 GPRESSAVG: 4977000 28.3243 -10.3227 6.60476 -14.0782 13.4139 37.6889 13.184 43.0137 -45.8851 TIMING: 4977000 CPU: 14976, 0.0030177/step Wall: 14976, 0.0030177/step, 0.0192797 hours remaining, 208.261719 MB of memory in use. ENERGY: 4977000 748.4192 2100.1030 1911.2456 105.6956 -206715.7904 17864.8027 0.0000 0.0000 34188.9882 -149796.5361 298.5809 -183985.5243 -149700.9104 298.1609 -91.3354 -58.9081 557666.5958 -1.3417 -1.3823 PRESSURE: 4977200 -162.861 -82.4176 -27.3012 -82.4161 -154.061 -91.0164 -27.3008 -91.0156 -20.9304 GPRESSURE: 4977200 -170.179 -83.721 -77.9654 -53.0626 -153.895 -21.0235 60.2682 -178.308 88.0411 PRESSAVG: 4977200 -14.1129 15.0454 19.8573 15.0454 29.517 -19.827 19.8573 -19.8269 -30.8575 GPRESSAVG: 4977200 -14.2993 15.6084 24.1245 15.5579 29.8025 -18.7422 18.0729 -22.3786 -30.6757 TIMING: 4977200 CPU: 14976.6, 0.00302129/step Wall: 14976.6, 0.00302129/step, 0.0191349 hours remaining, 208.261719 MB of memory in use. ENERGY: 4977200 721.4241 2081.8145 1939.8776 106.2971 -206179.3498 17620.3768 0.0000 0.0000 34077.8891 -149631.6704 297.6107 -183709.5596 -149540.6786 298.1333 -112.6173 -78.6777 556693.3447 -5.1511 -5.0575 PRESSURE: 4977400 -46.8987 -65.6078 1.65627 -65.6061 -15.1521 -151.469 1.65625 -151.467 132.163 GPRESSURE: 4977400 -1.07288 -57.6637 -8.55729 -30.8875 34.0572 -191.793 -45.4215 -145.486 139.69 PRESSAVG: 4977400 16.9698 -32.2607 -6.41866 -32.2607 -41.1646 32.2984 -6.41867 32.2984 -38.1375 GPRESSAVG: 4977400 17.882 -31.5746 -7.40694 -32.0214 -40.5301 31.7734 -7.88479 33.703 -39.1828 TIMING: 4977400 CPU: 14977.3, 0.00302253/step Wall: 14977.3, 0.00302253/step, 0.0189748 hours remaining, 208.316406 MB of memory in use. ENERGY: 4977400 732.1553 2069.6674 1939.2903 119.9764 -206517.2607 17831.1617 0.0000 0.0000 34294.5435 -149530.4661 299.5028 -183825.0095 -149434.9968 298.3581 23.3708 57.5583 556106.3833 -20.7774 -20.6103 PRESSURE: 4977600 110.696 117.352 -9.48767 117.351 16.8318 -74.855 -9.48825 -74.8556 -92.612 GPRESSURE: 4977600 93.872 132.281 10.3107 21.1322 51.6131 -114.247 85.8076 -65.1421 -10.7483 PRESSAVG: 4977600 47.4173 10.094 -25.5632 10.094 56.3157 28.1229 -25.5632 28.1229 -67.9625 GPRESSAVG: 4977600 45.6178 8.3333 -27.5561 10.1333 56.1814 26.1847 -23.3408 29.6466 -66.2932 TIMING: 4977600 CPU: 14977.9, 0.00303982/step Wall: 14977.9, 0.00303982/step, 0.0189145 hours remaining, 208.558594 MB of memory in use. ENERGY: 4977600 752.3664 2067.4856 1974.4314 123.1500 -206624.1994 17911.0512 0.0000 0.0000 34357.6864 -149438.0284 300.0542 -183795.7148 -149331.2303 299.0154 11.6384 44.9122 557723.7526 11.9235 11.8353 PRESSURE: 4977800 -120.468 135.084 -21.4109 135.084 -151.067 20.9303 -21.4124 20.9313 -171.865 GPRESSURE: 4977800 -85.0746 177.697 -153.106 102.321 -84.457 47.5867 -51.5852 -24.1515 -164.926 PRESSAVG: 4977800 1.33177 24.8672 14.3995 24.8672 59.7273 10.6062 14.3993 10.6061 -95.2004 GPRESSAVG: 4977800 2.26628 26.3141 14.3704 24.6331 59.0033 11.8657 12.8485 8.22555 -95.3519 TIMING: 4977800 CPU: 14978.5, 0.00303613/step Wall: 14978.5, 0.00303613/step, 0.0187228 hours remaining, 208.558594 MB of memory in use. ENERGY: 4977800 665.4350 2126.2540 1949.2677 125.3417 -205779.2575 17432.8163 0.0000 0.0000 34205.5501 -149274.5927 298.7256 -183480.1428 -149172.9068 298.8613 -147.8000 -111.4858 558543.3562 -11.3804 -11.3608 PRESSURE: 4978000 -80.0974 -60.722 -11.067 -60.7218 -113.773 -64.4951 -11.0673 -64.494 -262.108 GPRESSURE: 4978000 -75.8359 -116.73 1.47671 -7.47107 -70.2534 -82.6246 80.066 49.6745 -211.382 PRESSAVG: 4978000 -12.866 -29.7602 0.937306 -29.7602 85.7482 10.7453 0.937146 10.7454 -67.0306 GPRESSAVG: 4978000 -12.9912 -29.2805 2.25953 -32.576 85.5507 12.7992 4.26736 9.7576 -66.6392 TIMING: 4978000 CPU: 14979.1, 0.00302758/step Wall: 14979.1, 0.00302758/step, 0.0185019 hours remaining, 208.558594 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: 4978000 736.3890 2121.5813 1967.8381 124.1688 -206307.0101 17815.0044 0.0000 0.0000 34333.5382 -149208.4905 299.8433 -183542.0287 -149116.7915 299.2226 -151.9929 -119.1572 558191.3926 1.9505 1.9734 PRESSURE: 4978200 -44.2182 44.2911 -67.064 44.2909 -140.688 -123.302 -67.0633 -123.302 -296.833 GPRESSURE: 4978200 -42.6234 8.96289 -40.4827 101.793 -74.1245 -89.6143 -74.3007 -150.799 -273.784 PRESSAVG: 4978200 42.8731 -38.7883 -19.7491 -38.7883 32.8523 -13.1973 -19.7491 -13.1972 -74.2327 GPRESSAVG: 4978200 42.246 -38.9462 -20.1961 -35.3729 34.0136 -15.5501 -21.988 -10.4568 -75.0266 TIMING: 4978200 CPU: 14979.7, 0.00304746/step Wall: 14979.7, 0.00304746/step, 0.0184541 hours remaining, 208.558594 MB of memory in use. ENERGY: 4978200 766.8368 2088.6133 1962.8727 115.8176 -206174.3259 17602.7782 0.0000 0.0000 34150.4222 -149486.9852 298.2441 -183637.4074 -149394.1596 299.2052 -160.5799 -130.1774 558773.0337 0.4976 0.4110 PRESSURE: 4978400 -18.4468 -66.1943 2.75293 -66.1955 97.5341 87.3907 2.75155 87.3895 24.9988 GPRESSURE: 4978400 24.0276 16.5936 -27.9131 -107.653 132.156 19.7218 22.7789 176.136 61.6412 PRESSAVG: 4978400 24.0758 -2.81767 -28.8081 -2.81769 38.3669 14.7941 -28.808 14.7941 -58.2624 GPRESSAVG: 4978400 24.2666 -3.62552 -28.3072 -4.74819 39.2484 16.0232 -28.3358 10.9809 -59.5456 TIMING: 4978400 CPU: 14980.3, 0.00305308/step Wall: 14980.3, 0.00305308/step, 0.0183185 hours remaining, 208.558594 MB of memory in use. ENERGY: 4978400 748.7046 2025.3781 1943.0635 119.1105 -206714.0550 18040.0102 0.0000 0.0000 34347.9637 -149489.8244 299.9693 -183837.7881 -149398.2136 298.0821 34.6953 72.6084 556708.4688 1.3934 1.3232 PRESSURE: 4978600 168.945 3.31702 -84.5266 3.31638 17.8051 -21.8276 -84.5259 -21.8267 -168.68 GPRESSURE: 4978600 230.274 -20.9916 11.5828 -57.4875 22.3204 -3.43511 -63.436 -82.8419 -142.416 PRESSAVG: 4978600 68.2059 -51.5683 -36.6854 -51.5684 -44.0576 7.68172 -36.6854 7.68173 -72.2979 GPRESSAVG: 4978600 69.248 -53.0031 -37.2757 -49.8988 -45.0328 7.66293 -34.7426 7.39306 -72.6993 TIMING: 4978600 CPU: 14980.9, 0.00306297/step Wall: 14980.9, 0.00306297/step, 0.0182077 hours remaining, 208.558594 MB of memory in use. ENERGY: 4978600 720.7370 2139.8419 1974.6918 114.7892 -206298.1116 17833.0986 0.0000 0.0000 34335.4877 -149179.4655 299.8604 -183514.9532 -149083.9633 298.9450 6.0235 36.7261 556899.4679 -16.0499 -16.1614 PRESSURE: 4978800 -111.6 -122.428 157.892 -122.428 260.784 63.5425 157.892 63.5426 -21.2322 GPRESSURE: 4978800 -45.7158 -48.4883 208.752 -141.011 245.394 -48.4221 114.318 129.11 24.0086 PRESSAVG: 4978800 -26.1168 -4.56845 -18.9412 -4.56847 14.0428 2.64363 -18.9411 2.64362 -1.34603 GPRESSAVG: 4978800 -26.6972 -5.03363 -19.5864 -5.24263 13.495 1.18606 -19.4278 4.47968 0.0509956 TIMING: 4978800 CPU: 14981.5, 0.00305878/step Wall: 14981.5, 0.00305878/step, 0.0180128 hours remaining, 208.558594 MB of memory in use. ENERGY: 4978800 763.0943 2115.7269 1939.9302 129.1287 -206195.1836 17877.2442 0.0000 0.0000 34237.2580 -149132.8012 299.0025 -183370.0593 -149034.8149 299.7460 42.6508 74.5621 558102.9143 -4.4733 -4.3838 PRESSURE: 4979000 -177.663 -157.557 14.4006 -157.558 -189.205 -3.08066 14.3998 -3.08044 -177.16 GPRESSURE: 4979000 -167.745 -75.2672 -22.3156 -125.328 -167.505 37.518 33.3383 20.5244 -120.734 PRESSAVG: 4979000 20.1521 29.0751 -26.9283 29.075 -1.14288 -82.1086 -26.9282 -82.1086 18.9465 GPRESSAVG: 4979000 20.8773 29.1752 -25.8358 29.0693 -2.42844 -81.9889 -29.3167 -81.0706 19.5917 TIMING: 4979000 CPU: 14982.1, 0.00306815/step Wall: 14982.1, 0.00306815/step, 0.0178976 hours remaining, 208.558594 MB of memory in use. ENERGY: 4979000 771.3233 2117.0222 1935.2644 99.3877 -206036.3527 17548.6690 0.0000 0.0000 34320.9574 -149243.7287 299.7335 -183564.6861 -149142.3196 299.7077 -181.3429 -151.9950 558087.0807 12.6519 12.6802 PRESSURE: 4979200 165.805 67.1707 -49.0303 67.1716 174.456 68.8395 -49.0305 68.8413 12.7745 GPRESSURE: 4979200 189.822 -22.2914 -49.8093 41.7045 246.547 20.9662 -121.584 -2.32083 7.89399 PRESSAVG: 4979200 80.7044 -27.5735 -4.08533 -27.5735 -57.8122 51.237 -4.08536 51.2371 -61.6572 GPRESSAVG: 4979200 81.5156 -28.1035 -2.74448 -27.6188 -56.8438 51.0395 -4.66408 49.6683 -63.8094 TIMING: 4979200 CPU: 14982.7, 0.00306342/step Wall: 14982.7, 0.00306342/step, 0.0176997 hours remaining, 208.558594 MB of memory in use. ENERGY: 4979200 754.9054 2119.4708 1929.8023 112.6019 -206504.8788 18154.5447 0.0000 0.0000 34391.7931 -149041.7605 300.3521 -183433.5537 -148946.1113 299.5459 117.6785 148.0876 557106.0752 -12.9216 -13.0459 PRESSURE: 4979400 -134.181 -59.0311 -77.7089 -59.0305 63.7858 -109.835 -77.7078 -109.835 130.562 GPRESSURE: 4979400 -112.545 -17.4691 -82.1748 -100.57 110.363 -63.1785 -54.538 -168.265 150.442 PRESSAVG: 4979400 47.0737 -2.45939 -2.4857 -2.45943 20.0288 17.8452 -2.48561 17.8453 -72.9283 GPRESSAVG: 4979400 46.9503 -2.94094 -5.54308 -3.13396 20.2796 21.0247 -1.83367 20.2981 -73.0879 TIMING: 4979400 CPU: 14983.4, 0.00303749/step Wall: 14983.4, 0.00303749/step, 0.0173812 hours remaining, 208.558594 MB of memory in use. ENERGY: 4979400 737.7361 2099.1369 1961.8218 110.7862 -206428.9702 17812.0675 0.0000 0.0000 34525.4429 -149181.9788 301.5193 -183707.4216 -149082.2242 299.8602 20.0555 49.4201 558428.0917 -1.9420 -1.9527 PRESSURE: 4979600 59.4871 -13.0363 150.721 -13.0381 -4.75136 -247.354 150.72 -247.355 -126.043 GPRESSURE: 4979600 123.037 -16.3036 150.821 -34.2859 12.675 -280.312 124.48 -223.942 -108.127 PRESSAVG: 4979600 33.4932 -52.9618 -10.0412 -52.9619 14.0181 42.7005 -10.0413 42.7005 -24.1919 GPRESSAVG: 4979600 32.1856 -51.4813 -9.48133 -52.6042 14.9247 40.2385 -8.3631 42.6217 -23.9506 TIMING: 4979600 CPU: 14984, 0.00303348/step Wall: 14984, 0.00303348/step, 0.0171897 hours remaining, 208.558594 MB of memory in use. ENERGY: 4979600 726.5685 2158.1530 1909.7861 120.7351 -206119.6314 17816.4463 0.0000 0.0000 34316.4266 -149071.5158 299.6939 -183387.9424 -148971.7007 299.6287 -23.7690 9.1949 558893.6215 7.7731 7.7199 PRESSURE: 4979800 61.3712 174.185 91.3914 174.185 -90.2561 81.3223 91.392 81.3216 -60.1096 GPRESSURE: 4979800 120.585 117.936 155.725 296.511 -92.32 23.9941 -10.4902 47.3883 -6.4322 PRESSAVG: 4979800 84.0539 40.681 -9.71354 40.6809 -55.3436 26.2032 -9.71362 26.2033 -40.3708 GPRESSAVG: 4979800 84.0177 40.4933 -8.25696 41.4578 -56.0154 26.067 -11.4555 25.1719 -40.5514 TIMING: 4979800 CPU: 14984.6, 0.00303117/step Wall: 14984.6, 0.00303117/step, 0.0170083 hours remaining, 208.558594 MB of memory in use. ENERGY: 4979800 773.8746 2095.4062 1924.1183 117.3862 -206304.4926 17885.6410 0.0000 0.0000 34441.7618 -149066.3045 300.7885 -183508.0663 -148966.8467 300.2374 -29.6648 7.2778 557897.6606 -3.8868 -4.1830 PRESSURE: 4980000 -250.433 36.573 -99.499 36.5731 346.972 147.184 -99.5002 147.184 -70.8107 GPRESSURE: 4980000 -231.29 77.8607 -54.6651 5.65923 400.923 198.322 -105.932 128.88 -37.7999 PRESSAVG: 4980000 33.8591 -39.9187 40.4031 -39.9186 -18.5319 46.494 40.403 46.494 21.4968 GPRESSAVG: 4980000 34.8388 -39.0771 42.1263 -40.6959 -18.6399 47.4099 41.2924 44.5758 20.4123 TIMING: 4980000 CPU: 14985.2, 0.00306698/step Wall: 14985.2, 0.00306698/step, 0.0170388 hours remaining, 208.558594 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: 4980000 773.6324 2115.9039 1916.1135 113.7709 -206513.4575 18084.3670 0.0000 0.0000 34370.1657 -149139.5040 300.1632 -183509.6698 -149039.9407 299.8353 8.5761 43.9444 557565.5529 12.2747 12.2037 PRESSURE: 4980200 -24.0148 -46.5681 72.8086 -46.5679 -116.514 -1.07606 72.81 -1.07581 -189.548 GPRESSURE: 4980200 -23.0426 -42.3615 79.8343 -49.4359 -74.8212 -37.2383 38.0589 -18.5431 -132.774 PRESSAVG: 4980200 -75.3887 -20.1905 24.4398 -20.1904 76.5976 -19.2821 24.4398 -19.2822 5.97166 GPRESSAVG: 4980200 -75.6396 -21.6215 20.876 -19.5116 76.4411 -17.7965 25.1202 -18.1371 6.30361 TIMING: 4980200 CPU: 14985.8, 0.00303316/step Wall: 14985.8, 0.00303317/step, 0.0166824 hours remaining, 208.558594 MB of memory in use. ENERGY: 4980200 738.8430 2112.1268 1944.4271 101.8010 -206053.8381 17650.2277 0.0000 0.0000 34282.8875 -149223.5250 299.4010 -183506.4125 -149123.9184 299.4940 -110.0255 -76.8791 559305.4482 2.3935 2.3684 LDB: ============= START OF LOAD BALANCING ============== 14989.2 LDB: ============== END OF LOAD BALANCING =============== 14989.2 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14989.2 LDB: ============= START OF LOAD BALANCING ============== 14989.5 LDB: Largest compute 4820 load 0.026571 is 22.5% of average load 0.118217 LDB: Average compute 0.001712 is 1.4% of average load 0.118217 LDB: TIME 14989.5 LOAD: AVG 0.118217 MAX 0.215284 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.477 MB LDB: TIME 14989.5 LOAD: AVG 0.118217 MAX 0.215284 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.477 MB LDB: TIME 14989.5 LOAD: AVG 0.118217 MAX 0.215284 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.477 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 14989.5 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 14989.5 PRESSURE: 4980400 64.4821 1.61064 134.469 1.61042 -127.069 248.042 134.469 248.04 125.589 GPRESSURE: 4980400 105.93 -100.675 161.249 46.8953 -75.5446 171.121 125.587 111.637 126.284 PRESSAVG: 4980400 38.4616 -3.8793 61.6294 -3.87937 -33.626 -9.11849 61.6294 -9.1185 9.13621 GPRESSAVG: 4980400 37.2551 -1.87694 62.8503 -4.10591 -32.9122 -9.93701 60.3155 -9.52947 10.114 TIMING: 4980400 CPU: 14986.4, 0.00308972/step Wall: 14986.4, 0.00308972/step, 0.0168218 hours remaining, 208.046875 MB of memory in use. ENERGY: 4980400 767.0836 2147.8000 1975.7624 104.4333 -206427.5064 17959.8865 0.0000 0.0000 34320.8241 -149151.7166 299.7323 -183472.5407 -149057.3223 299.3024 21.0005 52.2232 557457.5970 4.6573 4.8190 PRESSURE: 4980600 26.2362 -30.4857 6.86501 -30.4866 94.8481 22.2384 6.86385 22.2372 67.0351 GPRESSURE: 4980600 47.5841 -70.7799 -6.5693 13.1737 116.846 33.9699 65.323 73.0085 116.144 PRESSAVG: 4980600 -3.8697 1.42889 -15.5099 1.42892 -32.5426 -6.23413 -15.5098 -6.23414 6.76184 GPRESSAVG: 4980600 -4.66773 -0.200336 -13.313 1.65765 -30.979 -8.80109 -15.8922 -4.51558 6.23286 TIMING: 4980600 CPU: 14987, 0.00305581/step Wall: 14987, 0.00305581/step, 0.0164674 hours remaining, 208.046875 MB of memory in use. ENERGY: 4980600 757.1594 2101.1559 1971.1207 116.3863 -206321.7825 17934.6832 0.0000 0.0000 34264.8843 -149176.3926 299.2438 -183441.2769 -149083.9183 299.1798 62.7065 93.5246 557655.1127 -9.8835 -9.8046 PRESSURE: 4980800 -133.581 -40.7042 -78.0159 -40.705 -143.01 101.898 -78.0164 101.899 -96.5961 GPRESSURE: 4980800 -118.758 -86.2811 -32.0501 -92.3604 -95.3069 84.1379 -144.606 112.399 -55.3051 PRESSAVG: 4980800 25.723 -13.1318 -13.482 -13.1319 -16.3811 65.7918 -13.482 65.7918 30.5288 GPRESSAVG: 4980800 27.9007 -13.8517 -16.1502 -13.3524 -19.2864 66.7007 -13.3539 64.7535 31.2932 TIMING: 4980800 CPU: 14987.6, 0.00300646/step Wall: 14987.6, 0.00300646/step, 0.0160344 hours remaining, 208.046875 MB of memory in use. ENERGY: 4980800 732.2695 2083.4684 1948.8870 116.7296 -205934.4290 17591.0993 0.0000 0.0000 34337.3896 -149124.5856 299.8770 -183461.9752 -149025.1903 300.0306 -124.3957 -89.7901 557486.0385 13.2903 13.3025 PRESSURE: 4981000 4.45818 -80.3061 -33.6196 -80.3076 150.33 73.6839 -33.6197 73.6846 -99.5672 GPRESSURE: 4981000 73.3828 -126.682 -19.5292 -61.5884 185.702 73.9265 -48.0867 20.4368 -103.474 PRESSAVG: 4981000 -21.3832 7.11153 26.1535 7.11152 2.06191 19.901 26.1536 19.9011 21.2041 GPRESSAVG: 4981000 -22.9924 7.58115 26.4695 6.42583 4.07466 19.4907 27.4448 20.3174 20.5515 TIMING: 4981000 CPU: 14988.2, 0.00303377/step Wall: 14988.2, 0.00303377/step, 0.0160116 hours remaining, 208.046875 MB of memory in use. ENERGY: 4981000 754.0776 2084.2574 1951.6078 118.2900 -205997.4451 17755.0350 0.0000 0.0000 34177.9352 -149156.2421 298.4844 -183334.1773 -149052.0670 300.1044 18.4070 51.8702 556421.3638 0.6276 0.5446 PRESSURE: 4981200 -126.138 -181.756 53.585 -181.757 -57.9252 -91.3572 53.5852 -91.3576 -2.64848 GPRESSURE: 4981200 -66.1623 -264.529 59.8705 -183.911 -22.3057 -40.6639 30.9761 -81.5921 2.33452 PRESSAVG: 4981200 24.0744 -4.31464 69.3109 -4.31451 6.00244 -27.9177 69.3108 -27.9177 -0.503546 GPRESSAVG: 4981200 24.4505 -4.89652 70.3021 -4.26312 5.36593 -29.1196 68.7754 -26.4758 -0.347113 TIMING: 4981200 CPU: 14988.8, 0.00301113/step Wall: 14988.8, 0.00301113/step, 0.0157248 hours remaining, 208.046875 MB of memory in use. ENERGY: 4981200 728.5238 2106.0387 1971.2289 119.6110 -206160.3696 17623.3970 0.0000 0.0000 34351.3337 -149260.2366 299.9987 -183611.5703 -149154.3926 299.4140 -62.2372 -28.7112 557285.6754 9.8578 9.8231 PRESSURE: 4981400 -125.384 -82.641 179.629 -82.6416 -293.374 114.1 179.629 114.1 -205.083 GPRESSURE: 4981400 -29.7716 23.9508 131.655 -133.156 -299.939 163.535 190.902 41.583 -199.994 PRESSAVG: 4981400 -17.1517 0.262367 77.3045 0.262376 -4.03923 -43.8284 77.3046 -43.8284 -19.3933 GPRESSAVG: 4981400 -16.5465 0.898959 74.5631 -0.181066 -5.39628 -41.2256 78.4365 -45.8888 -18.0638 TIMING: 4981400 CPU: 14989.4, 0.00303343/step Wall: 14989.4, 0.00303343/step, 0.0156727 hours remaining, 208.046875 MB of memory in use. ENERGY: 4981400 764.8269 2104.7717 1989.0971 130.5054 -206466.3438 17821.8623 0.0000 0.0000 34286.6792 -149368.6011 299.4341 -183655.2803 -149267.8275 299.0880 -207.9471 -176.5682 559255.5634 -13.5281 -13.3355 PRESSURE: 4981600 128.499 27.6362 260.484 27.6364 79.9498 -17.7026 260.482 -17.7022 43.2641 GPRESSURE: 4981600 127.709 -17.4015 309.591 79.0742 106.609 -29.179 209.903 4.46661 125.878 PRESSAVG: 4981600 -0.302182 -1.27991 21.6562 -1.27992 23.8907 14.3927 21.6561 14.3927 -32.7722 GPRESSAVG: 4981600 -0.594327 -0.397591 23.4104 -0.598928 24.4192 12.2179 21.4099 14.5786 -33.0483 TIMING: 4981600 CPU: 14990, 0.00300239/step Wall: 14990, 0.00300239/step, 0.0153456 hours remaining, 208.046875 MB of memory in use. ENERGY: 4981600 683.8966 2142.0641 1922.8581 127.9683 -206367.9328 17870.7081 0.0000 0.0000 34242.9607 -149377.4769 299.0523 -183620.4377 -149282.7072 299.2682 83.9041 120.0654 557584.1357 -3.0612 -3.0745 PRESSURE: 4981800 136.855 -77.0826 -120.796 -77.0822 -62.7529 -11.9707 -120.796 -11.9719 -165.037 GPRESSURE: 4981800 119.32 -51.0486 -120.975 -122.783 -3.29196 -133.218 -144.328 33.8989 -104.769 PRESSAVG: 4981800 -20.9714 -0.105681 49.5321 -0.105657 45.1946 -38.2191 49.5321 -38.2191 -21.448 GPRESSAVG: 4981800 -21.3875 -1.78427 50.5671 -0.565678 46.1995 -37.6545 50.7088 -36.3579 -21.914 TIMING: 4981800 CPU: 14990.6, 0.00299969/step Wall: 14990.6, 0.00299969/step, 0.0151651 hours remaining, 208.046875 MB of memory in use. ENERGY: 4981800 761.9188 2164.1567 1968.4047 120.5328 -206314.4769 17905.3614 0.0000 0.0000 33946.2377 -149447.8649 296.4609 -183394.1026 -149355.2278 298.6256 -30.3116 3.7530 558757.0383 0.9250 0.9660 PRESSURE: 4982000 26.5191 -79.2903 146.107 -79.2906 -79.3496 51.1708 146.107 51.1717 -377.855 GPRESSURE: 4982000 37.2992 -86.6817 155.437 -92.3387 -97.4922 85.8734 142.258 15.8212 -265.636 PRESSAVG: 4982000 4.31312 -112.876 42.6688 -112.876 16.994 28.5137 42.6688 28.5136 -51.6816 GPRESSAVG: 4982000 4.97086 -112.487 40.7503 -114.337 16.8004 28.0714 43.6449 27.3388 -52.1743 TIMING: 4982000 CPU: 14991.2, 0.00301444/step Wall: 14991.2, 0.00301444/step, 0.0150722 hours remaining, 208.046875 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: 4982000 757.8632 2134.2919 1964.0483 114.6494 -206395.5068 17785.5692 0.0000 0.0000 34310.3792 -149328.7055 299.6411 -183639.0847 -149234.7723 299.1934 -143.5620 -108.6097 558385.7913 -10.1248 -10.1343 PRESSURE: 4982200 -102.553 -26.1799 47.9714 -26.1801 32.4782 23.9579 47.9712 23.9577 -270.443 GPRESSURE: 4982200 -120.285 7.73348 40.227 -82.958 99.4503 -34.9668 115.218 36.7145 -235.2 PRESSAVG: 4982200 18.4257 -80.6604 0.995004 -80.6604 0.320595 15.8981 0.99495 15.8983 -14.2553 GPRESSAVG: 4982200 17.6355 -80.2176 2.90558 -79.884 0.405475 16.4356 -0.315019 14.5838 -13.4228 TIMING: 4982200 CPU: 14991.8, 0.00306976/step Wall: 14991.8, 0.00306976/step, 0.0151783 hours remaining, 208.046875 MB of memory in use. ENERGY: 4982200 754.5844 2168.0412 1963.4555 123.4326 -206628.0624 17967.8977 0.0000 0.0000 34382.0450 -149268.6060 300.2670 -183650.6510 -149163.0521 299.8890 -113.5058 -85.3450 557612.8164 1.4970 1.5394 PRESSURE: 4982400 -211.095 43.7371 18.0415 43.7378 -55.6101 54.5672 18.0416 54.5659 -224.542 GPRESSURE: 4982400 -185.558 -13.8169 -31.2449 108.027 -39.3932 90.9603 55.0223 39.0316 -173.023 PRESSAVG: 4982400 28.1932 5.53544 -6.85586 5.53544 46.7919 52.6876 -6.85589 52.6876 -59.7501 GPRESSAVG: 4982400 28.6154 5.44947 -7.95733 5.34962 46.343 52.162 -7.39685 54.3116 -59.9067 TIMING: 4982400 CPU: 14992.5, 0.00306203/step Wall: 14992.5, 0.00306203/step, 0.0149699 hours remaining, 208.046875 MB of memory in use. ENERGY: 4982400 744.3149 2145.9642 1950.8251 118.5923 -205977.8869 17488.0650 0.0000 0.0000 34174.1586 -149355.9668 298.4514 -183530.1254 -149269.4734 299.0192 -163.7489 -132.6578 558962.1177 5.0783 5.0173 PRESSURE: 4982600 197.394 115.727 -40.8319 115.727 51.9245 -137.523 -40.8316 -137.523 225.194 GPRESSURE: 4982600 326.172 72.2138 -63.7655 135.474 23.9556 -181.311 -5.33736 -110.278 219.828 PRESSAVG: 4982600 61.8 11.9288 55.2265 11.9288 -15.2787 -30.5828 55.2265 -30.5828 -19.076 GPRESSAVG: 4982600 61.803 12.305 54.0867 13.1298 -14.9272 -28.9905 56.7072 -30.5348 -19.5889 TIMING: 4982600 CPU: 14993.1, 0.00309113/step Wall: 14993.1, 0.00309113/step, 0.0149405 hours remaining, 208.046875 MB of memory in use. ENERGY: 4982600 752.7209 2061.4905 1955.4922 115.6557 -206550.7348 17964.9189 0.0000 0.0000 34303.5196 -149396.9371 299.5812 -183700.4567 -149295.7046 298.5900 158.1709 189.9852 556496.1960 9.1484 9.0956 PRESSURE: 4982800 291.491 88.1755 93.4586 88.1755 95.6525 -166.322 93.4582 -166.323 41.5738 GPRESSURE: 4982800 305.489 170.717 58.2324 -17.0348 138.154 -157.083 78.3885 -213.715 86.7326 PRESSAVG: 4982800 64.479 20.1784 15.8116 20.1785 -51.1042 -3.69365 15.8115 -3.69365 -28.9263 GPRESSAVG: 4982800 63.8584 20.2771 18.4266 19.3663 -51.1269 -3.88054 13.791 -4.82431 -29.2895 TIMING: 4982800 CPU: 14993.7, 0.00304898/step Wall: 14993.7, 0.00304898/step, 0.0145674 hours remaining, 208.046875 MB of memory in use. ENERGY: 4982800 734.2677 2152.4492 1986.6050 127.1610 -206736.4672 18069.9524 0.0000 0.0000 34196.9629 -149469.0689 298.6506 -183666.0318 -149373.0259 298.7103 142.9057 176.7918 556246.3210 -5.1838 -5.5193 PRESSURE: 4983000 3.16892 40.598 176.175 40.5978 -101.572 197.158 176.177 197.158 3.47141 GPRESSURE: 4983000 69.8553 82.1892 183.886 93.459 -67.7371 292.901 144.703 129.654 -0.948067 PRESSAVG: 4983000 26.2482 41.7718 10.878 41.7718 4.3107 -17.5751 10.878 -17.5751 -16.5423 GPRESSAVG: 4983000 27.3746 41.4833 11.7196 44.3156 5.71054 -17.0778 10.8728 -16.0357 -18.6919 TIMING: 4983000 CPU: 14994.3, 0.00304192/step Wall: 14994.3, 0.00304192/step, 0.0143646 hours remaining, 208.046875 MB of memory in use. ENERGY: 4983000 710.7600 2109.8574 1962.8888 120.1953 -206125.2247 17796.2389 0.0000 0.0000 34053.7236 -149371.5608 297.3996 -183425.2843 -149268.6975 298.6697 -31.6439 0.3900 557990.6262 4.6722 4.7978 PRESSURE: 4983200 148.736 -27.1887 -119.653 -27.1881 -265.349 146.125 -119.652 146.126 -92.8107 GPRESSURE: 4983200 180.663 -81.7646 -73.3953 43.1623 -165.142 176.67 -122.779 80.9145 -129.899 PRESSAVG: 4983200 0.599633 -1.15328 29.336 -1.15325 -6.64796 6.04485 29.336 6.04485 33.1024 GPRESSAVG: 4983200 0.0429181 -2.59096 26.6421 -3.04052 -7.40483 5.47751 31.5099 5.70607 34.4902 TIMING: 4983200 CPU: 14994.9, 0.00304211/step Wall: 14994.9, 0.00304211/step, 0.0141965 hours remaining, 208.046875 MB of memory in use. ENERGY: 4983200 775.3200 2075.6497 1931.1592 104.4859 -206888.6598 17958.3361 0.0000 0.0000 34532.5909 -149511.1179 301.5817 -184043.7089 -149420.1090 298.8126 -69.8079 -38.1261 556140.7911 9.0180 9.0428 PRESSURE: 4983400 292.081 47.5236 67.5688 47.5224 173.898 -88.8318 67.5688 -88.833 179.481 GPRESSURE: 4983400 351.291 80.4937 57.2295 39.453 185.84 -84.054 72.3962 -43.396 202.256 PRESSAVG: 4983400 70.845 4.18785 -30.1348 4.18784 -7.89922 -2.3652 -30.1348 -2.3652 -51.6749 GPRESSAVG: 4983400 70.4913 5.50095 -27.6676 2.56786 -8.1748 -2.58438 -34.9948 -3.55209 -51.1564 TIMING: 4983400 CPU: 14995.5, 0.00305094/step Wall: 14995.5, 0.00305094/step, 0.0140682 hours remaining, 208.046875 MB of memory in use. ENERGY: 4983400 748.1825 2123.3245 1912.0093 122.3084 -206953.1311 18151.1489 0.0000 0.0000 34467.0694 -149429.0880 301.0095 -183896.1574 -149335.2939 299.1740 215.1536 246.4624 556492.9889 3.7570 3.7200 PRESSURE: 4983600 -73.9205 111.307 10.6159 111.306 138.233 -16.9654 10.6156 -16.9668 -30.8777 GPRESSURE: 4983600 -1.26261 127.271 60.3732 128.744 151.651 28.6203 -57.6301 -93.3736 -19.2899 PRESSAVG: 4983600 45.5188 54.3835 -25.3984 54.3835 -3.57402 10.8114 -25.3984 10.8113 -37.6808 GPRESSAVG: 4983600 45.0816 53.6991 -26.9351 55.7413 -3.67509 12.297 -20.6746 11.4544 -37.1719 TIMING: 4983600 CPU: 14996.1, 0.0030545/step Wall: 14996.1, 0.0030545/step, 0.0139149 hours remaining, 208.046875 MB of memory in use. ENERGY: 4983600 708.4922 2149.6141 1946.7509 116.4436 -206279.3362 17791.9615 0.0000 0.0000 34354.2503 -149211.8237 300.0242 -183566.0740 -149113.4645 299.6342 11.1450 43.6994 556888.3679 1.4213 1.4116 PRESSURE: 4983800 -113.285 151.09 37.3648 151.09 -142.164 -35.7739 37.3651 -35.7741 181.153 GPRESSURE: 4983800 -56.0829 108.86 66.4175 167.776 -92.2903 -47.3315 67.0109 -9.49249 164.293 PRESSAVG: 4983800 2.3955 57.7482 -14.6374 57.7482 -76.0127 35.9338 -14.6374 35.9339 80.4852 GPRESSAVG: 4983800 2.5406 58.8938 -15.4756 57.3704 -76.2106 33.4695 -17.6169 37.7539 80.3869 TIMING: 4983800 CPU: 14996.7, 0.0030525/step Wall: 14996.7, 0.0030525/step, 0.0137363 hours remaining, 208.046875 MB of memory in use. ENERGY: 4983800 736.0084 2092.7538 1954.8030 108.8237 -206673.2734 17997.8284 0.0000 0.0000 34549.5726 -149233.4836 301.7300 -183783.0562 -149139.7023 300.4455 -24.7653 5.3067 557315.1221 2.2893 2.2390 PRESSURE: 4984000 -159.286 -111.194 -143.878 -111.195 -182.78 55.3639 -143.877 55.3642 -141.014 GPRESSURE: 4984000 -70.0382 -121.772 -123.13 -111.941 -218.683 14.6493 -138.411 38.8638 -92.7624 PRESSAVG: 4984000 -10.0429 8.58894 25.645 8.58897 -15.4901 31.601 25.645 31.601 -11.2133 GPRESSAVG: 4984000 -10.7762 8.65591 26.2383 9.28465 -14.6133 33.5611 27.1153 30.499 -11.8379 TIMING: 4984000 CPU: 14997.3, 0.00306357/step Wall: 14997.3, 0.00306357/step, 0.0136159 hours remaining, 208.046875 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: 4984000 697.6597 2157.3951 1932.5864 128.3690 -206109.2176 17577.6790 0.0000 0.0000 34195.9179 -149419.6106 298.6415 -183615.5285 -149321.0762 299.5880 -161.0269 -127.1611 558692.3420 -12.2488 -12.4091 PRESSURE: 4984200 -264.02 103.826 0.444473 103.826 -359.81 80.6835 0.444827 80.6824 -313.303 GPRESSURE: 4984200 -273.341 25.0284 111.57 163.219 -342.249 123.985 -77.2188 18.7254 -230.133 PRESSAVG: 4984200 2.58063 19.9909 35.8281 19.9909 -41.0249 65.3454 35.8281 65.3454 20.3545 GPRESSAVG: 4984200 2.56998 21.6026 36.091 19.0419 -40.8024 65.4914 36.4829 64.7078 20.5067 TIMING: 4984200 CPU: 14998, 0.00302778/step Wall: 14998, 0.00302778/step, 0.0132886 hours remaining, 208.046875 MB of memory in use. ENERGY: 4984200 706.7518 2091.7186 1924.1687 107.9273 -205823.9860 17301.1275 0.0000 0.0000 34180.5859 -149511.7061 298.5076 -183692.2920 -149406.3869 298.5230 -312.3780 -281.9074 558073.4200 -6.0299 -5.9086 LDB: ============= START OF LOAD BALANCING ============== 15001.4 LDB: ============== END OF LOAD BALANCING =============== 15001.4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15001.4 LDB: ============= START OF LOAD BALANCING ============== 15001.7 LDB: Largest compute 4820 load 0.026969 is 22.8% of average load 0.118236 LDB: Average compute 0.001711 is 1.4% of average load 0.118236 LDB: TIME 15001.7 LOAD: AVG 0.118236 MAX 0.219936 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 206.453 MB LDB: TIME 15001.7 LOAD: AVG 0.118236 MAX 0.219936 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: TIME 15001.7 LOAD: AVG 0.118236 MAX 0.219936 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 206.457 MB LDB: ============== END OF LOAD BALANCING =============== 15001.7 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15001.7 PRESSURE: 4984400 -301.21 98.6797 3.18883 98.6801 -298.218 -152.371 3.18804 -152.369 -119.071 GPRESSURE: 4984400 -238.247 92.3797 112.8 123.587 -236.73 -123.485 -71.6234 -70.0708 -134.921 PRESSAVG: 4984400 55.2523 56.2634 -9.57422 56.2635 10.3953 2.28471 -9.57427 2.2848 -68.9587 GPRESSAVG: 4984400 55.5188 55.0407 -10.5243 55.7615 10.0958 0.724848 -9.67904 3.6959 -68.9667 TIMING: 4984400 CPU: 14998.6, 0.00313541/step Wall: 14998.6, 0.00313541/step, 0.0135868 hours remaining, 209.015625 MB of memory in use. ENERGY: 4984400 742.5657 2104.5655 1933.5960 101.9144 -205837.7932 17541.1959 0.0000 0.0000 34011.0773 -149402.8783 297.0272 -183413.9556 -149315.4538 298.0893 -239.4999 -203.2994 558982.9971 -1.1037 -1.1174 PRESSURE: 4984600 223.39 -65.6061 11.2731 -65.6055 -104.746 90.0473 11.2735 90.0463 -42.3628 GPRESSURE: 4984600 219.039 -53.8134 -25.0918 -39.6283 -49.0856 95.2911 82.3148 99.1564 -10.9875 PRESSAVG: 4984600 -1.01715 -6.9612 -22.3253 -6.96123 -2.51251 12.2373 -22.3254 12.2373 -1.75295 GPRESSAVG: 4984600 -0.576312 -6.52908 -20.5483 -8.2984 -2.14633 12.0848 -24.6104 10.184 -2.52555 TIMING: 4984600 CPU: 14999.2, 0.00304021/step Wall: 14999.2, 0.00304021/step, 0.0130054 hours remaining, 209.214844 MB of memory in use. ENERGY: 4984600 754.4298 2103.3667 1931.2363 109.4647 -206181.8129 17864.8761 0.0000 0.0000 34134.0076 -149284.4316 298.1008 -183418.4392 -149188.2104 298.9072 25.4270 52.9886 558015.0972 -1.7609 -1.7494 PRESSURE: 4984800 8.46486 -147.562 -32.225 -147.563 11.5245 -180.302 -32.2259 -180.302 68.3556 GPRESSURE: 4984800 95.1665 -196.191 -118.498 -194.317 24.8906 -117.728 43.4506 -101.549 69.3099 PRESSAVG: 4984800 65.9108 -22.452 23.7036 -22.4521 -63.2413 28.2807 23.7035 28.2807 -19.0407 GPRESSAVG: 4984800 66.0321 -23.6095 21.985 -20.9818 -64.2806 28.5003 25.5563 32.265 -17.8996 TIMING: 4984800 CPU: 14999.8, 0.00304814/step Wall: 14999.8, 0.00304814/step, 0.0128699 hours remaining, 209.214844 MB of memory in use. ENERGY: 4984800 691.4188 2047.1332 1944.1363 111.4551 -206047.8787 17714.5870 0.0000 0.0000 34328.4120 -149210.7363 299.7986 -183539.1483 -149109.8167 299.0897 29.4483 63.1223 557678.5897 -5.4571 -5.3827 PRESSURE: 4985000 -26.0253 -47.2241 -58.5 -47.2242 -164.924 28.1599 -58.4994 28.1607 216.347 GPRESSURE: 4985000 1.04379 8.59421 -55.0194 -36.9328 -132.283 33.2489 -4.92575 -46.1136 257.032 PRESSAVG: 4985000 -52.4271 -25.3152 -21.5702 -25.3151 -37.0497 21.3197 -21.5703 21.3196 81.048 GPRESSAVG: 4985000 -53.4156 -25.4515 -21.4015 -24.1672 -36.2056 21.2353 -21.4117 19.7566 81.2241 TIMING: 4985000 CPU: 15000.4, 0.00305985/step Wall: 15000.4, 0.00305985/step, 0.0127494 hours remaining, 209.214844 MB of memory in use. ENERGY: 4985000 751.0928 2050.6241 1953.6822 110.2057 -206213.9692 17832.6751 0.0000 0.0000 34257.0870 -149258.6021 299.1757 -183515.6892 -149164.8350 298.8152 8.4659 41.9312 557526.5966 -2.8096 -2.7990 PRESSURE: 4985200 -208.909 -55.7137 -39.0141 -55.7151 -52.5241 41.6892 -39.0142 41.6902 31.6857 GPRESSURE: 4985200 -203.837 -114.385 47.2335 -93.233 13.0229 29.4971 -45.162 32.0949 71.8009 PRESSAVG: 4985200 -29.708 -19.3261 18.2567 -19.3262 -7.25582 -0.272027 18.2567 -0.271973 49.216 GPRESSAVG: 4985200 -30.3861 -19.47 18.8871 -19.5891 -6.96078 -0.589699 16.5742 -0.35961 49.4265 TIMING: 4985200 CPU: 15001, 0.003022/step Wall: 15001, 0.003022/step, 0.0124238 hours remaining, 209.214844 MB of memory in use. ENERGY: 4985200 703.1238 2076.2410 1913.9131 127.5194 -206079.4078 17660.2601 0.0000 0.0000 34309.0081 -149289.3422 299.6291 -183598.3503 -149187.4240 298.5867 -76.5825 -39.6712 558256.6559 4.0840 4.0265 PRESSURE: 4985400 22.682 -43.9271 125.79 -43.9254 -228.096 -11.5148 125.79 -11.5142 -189.99 GPRESSURE: 4985400 70.783 -47.528 23.3721 19.928 -235.892 26.5872 248.876 29.4088 -123.75 PRESSAVG: 4985400 -35.6625 -25.4167 3.63146 -25.4167 42.1728 -21.2194 3.63148 -21.2193 -5.13365 GPRESSAVG: 4985400 -33.606 -24.6139 3.73477 -23.9132 42.3337 -20.0207 3.91405 -20.0533 -7.2122 TIMING: 4985400 CPU: 15001.6, 0.0030489/step Wall: 15001.6, 0.0030489/step, 0.012365 hours remaining, 209.214844 MB of memory in use. ENERGY: 4985400 743.5956 1995.7653 1926.6590 119.8272 -206176.5243 17657.8193 0.0000 0.0000 34296.1150 -149436.7429 299.5165 -183732.8579 -149337.9019 298.6632 -131.8016 -96.2866 558953.4474 0.4589 0.5052 PRESSURE: 4985600 -22.6735 32.5712 -7.34071 32.569 -48.2979 77.185 -7.3417 77.1844 -23.9355 GPRESSURE: 4985600 -30.8635 -76.3106 -41.9421 154.79 51.6895 76.6969 -26.113 80.4069 -24.5021 PRESSAVG: 4985600 35.2235 -15.4238 16.8027 -15.4238 16.2913 -10.706 16.8027 -10.706 -60.1524 GPRESSAVG: 4985600 34.5144 -17.5995 15.3756 -14.5049 15.7695 -9.59034 16.858 -11.7475 -59.2511 TIMING: 4985600 CPU: 15002.2, 0.00305551/step Wall: 15002.2, 0.00305551/step, 0.012222 hours remaining, 209.214844 MB of memory in use. ENERGY: 4985600 776.5223 2078.1884 1920.0157 117.0651 -206290.8315 17762.1151 0.0000 0.0000 34159.0977 -149477.8272 298.3199 -183636.9249 -149383.4994 298.1497 -31.6356 -1.2253 557443.0666 -2.8792 -2.9891 PRESSURE: 4985800 -126.89 67.5641 32.796 67.5642 -61.3764 12.7209 32.7952 12.7218 -27.1167 GPRESSURE: 4985800 -106.925 4.4454 30.1378 78.6898 -59.6557 107.542 16.7312 -47.5397 50.345 PRESSAVG: 4985800 15.7803 2.5884 -23.6123 2.5884 -37.8118 -25.9271 -23.6123 -25.9271 59.3082 GPRESSAVG: 4985800 14.7278 4.64403 -21.3081 0.986779 -38.1569 -26.537 -24.2463 -26.6105 60.5518 TIMING: 4985800 CPU: 15002.8, 0.00305244/step Wall: 15002.8, 0.00305244/step, 0.0120402 hours remaining, 209.214844 MB of memory in use. ENERGY: 4985800 745.5466 2071.2383 1913.4858 102.2251 -206111.3236 17754.1034 0.0000 0.0000 34127.5385 -149397.1859 298.0443 -183524.7244 -149301.3567 298.1543 -71.7944 -38.7452 558169.0334 12.4256 12.3742 PRESSURE: 4986000 -120.389 29.2483 36.3127 29.2464 -167.421 -18.6205 36.3129 -18.6215 -116.37 GPRESSURE: 4986000 -123.193 149.263 17.335 -6.9457 -130.33 14.9757 -30.9738 14.9773 -51.2195 PRESSAVG: 4986000 45.2397 11.1852 -19.4171 11.1852 -22.7211 -27.4301 -19.417 -27.4301 -11.4128 GPRESSAVG: 4986000 45.3649 12.1199 -22.3063 10.792 -22.3994 -29.201 -19.3004 -26.3884 -11.6721 TIMING: 4986000 CPU: 15003.5, 0.0030624/step Wall: 15003.5, 0.0030624/step, 0.0119093 hours remaining, 209.214844 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: 4986000 723.5593 2030.3844 1944.9596 115.3442 -206313.3424 17744.9083 0.0000 0.0000 34399.4059 -149354.7807 300.4186 -183754.1866 -149257.3137 298.1728 -134.7266 -101.5809 559352.4992 3.7019 3.7645 PRESSURE: 4986200 137.399 30.1125 156.721 30.1124 -34.5897 -271.587 156.721 -271.586 93.5636 GPRESSURE: 4986200 127.954 38.8537 186.399 -15.1619 14.0213 -366.366 124.941 -229.159 152.943 PRESSAVG: 4986200 31.6461 17.8916 53.3229 17.8916 -46.9007 -14.2844 53.3229 -14.2844 66.7731 GPRESSAVG: 4986200 32.4715 16.295 54.3296 19.8673 -46.7887 -14.2034 54.8993 -17.0933 65.7611 TIMING: 4986200 CPU: 15004.1, 0.00306119/step Wall: 15004.1, 0.00306119/step, 0.0117346 hours remaining, 209.214844 MB of memory in use. ENERGY: 4986200 755.6425 2073.6981 1951.5335 116.2503 -206425.4303 17934.7692 0.0000 0.0000 34309.0858 -149284.4509 299.6298 -183593.5367 -149187.7510 298.8945 65.4575 98.3064 557672.3878 17.1728 17.1480 PRESSURE: 4986400 10.4037 124.914 47.7212 124.913 -136.161 -4.96483 47.7205 -4.96471 -1.45867 GPRESSURE: 4986400 87.2813 155.173 60.1242 26.7808 -127.829 9.71216 0.331037 53.4223 -0.697197 PRESSAVG: 4986400 -1.66472 5.9408 76.5992 5.94073 -76.2577 -81.455 76.5991 -81.4552 41.3899 GPRESSAVG: 4986400 -2.01218 9.46609 74.5685 3.02833 -76.6747 -78.6839 76.9877 -81.5754 41.9176 TIMING: 4986400 CPU: 15004.7, 0.00307317/step Wall: 15004.7, 0.00307317/step, 0.0116097 hours remaining, 209.214844 MB of memory in use. ENERGY: 4986400 742.1820 2044.9557 1946.7962 112.4602 -206153.6383 17689.2938 0.0000 0.0000 34466.9050 -149151.0453 301.0081 -183617.9503 -149057.4436 299.6593 -42.4054 -13.7484 556658.1280 -12.1775 -12.2565 PRESSURE: 4986600 107.842 106.569 -34.3722 106.569 116.736 -29.5 -34.3719 -29.501 -35.7876 GPRESSURE: 4986600 200.304 109.56 36.7563 116.962 112.005 -68.639 -38.6293 -55.0798 -12.5033 PRESSAVG: 4986600 -12.7092 28.269 22.3378 28.269 20.2176 -21.5247 22.3379 -21.5246 -1.63499 GPRESSAVG: 4986600 -13.3526 25.2949 23.4931 28.7203 21.3104 -22.1361 21.3957 -20.5019 -2.81117 TIMING: 4986600 CPU: 15005.3, 0.00303337/step Wall: 15005.3, 0.00303337/step, 0.0112909 hours remaining, 209.214844 MB of memory in use. ENERGY: 4986600 726.6756 2068.6894 1943.4296 110.1172 -206178.8755 17749.1647 0.0000 0.0000 34483.3080 -149097.4909 301.1513 -183580.7989 -148996.2960 300.1511 62.9301 99.9353 557540.5380 1.9578 1.7156 PRESSURE: 4986800 131.195 101.33 -140.209 101.33 154.075 -27.0254 -140.209 -27.0255 -320.129 GPRESSURE: 4986800 127.988 77.1399 -152.816 159.755 174.147 -50.7137 -80.8267 -97.4063 -232.573 PRESSAVG: 4986800 -5.35606 -4.51756 -6.59532 -4.51768 19.6604 -1.60012 -6.59513 -1.60016 -0.577705 GPRESSAVG: 4986800 -3.50647 -2.66221 -6.36036 -4.23017 18.2308 -1.39143 -7.58797 -1.08387 -0.269183 TIMING: 4986800 CPU: 15005.9, 0.00302927/step Wall: 15005.9, 0.00302927/step, 0.0111073 hours remaining, 209.285156 MB of memory in use. ENERGY: 4986800 755.3118 2033.3131 1943.0927 105.0695 -205960.5654 17877.9661 0.0000 0.0000 34111.3542 -149134.4579 297.9029 -183245.8121 -149045.0327 299.5424 -11.6195 23.1874 559950.4872 4.5755 4.8184 PRESSURE: 4987000 -255.056 46.166 -106.195 46.1659 -34.184 -97.2483 -106.195 -97.2478 -351.812 GPRESSURE: 4987000 -230.464 -116.339 -133.185 128.821 -6.67839 -92.3169 -186.519 -76.8376 -315.223 PRESSAVG: 4987000 47.4992 63.8194 -34.7733 63.8193 15.7659 43.096 -34.7734 43.096 -32.8245 GPRESSAVG: 4987000 46.3612 62.687 -32.9473 64.1949 15.7301 43.0691 -35.1829 42.7004 -31.6295 TIMING: 4987000 CPU: 15006.5, 0.00303563/step Wall: 15006.5, 0.00303563/step, 0.010962 hours remaining, 209.285156 MB of memory in use. ENERGY: 4987000 737.1229 2110.8584 1965.4897 110.1831 -206067.6819 17640.7206 0.0000 0.0000 34391.8113 -149111.4959 300.3522 -183503.3072 -149013.5467 299.8838 -213.6840 -184.1218 559817.3670 10.1469 10.1539 PRESSURE: 4987200 -201.025 -133.073 100.809 -133.072 -73.342 -105.098 100.808 -105.098 100.244 GPRESSURE: 4987200 -192.616 -93.2638 99.285 -83.2125 -26.9661 -13.0489 92.2875 -79.226 153.651 PRESSAVG: 4987200 -40.2201 38.3946 11.5935 38.3946 28.5015 49.9881 11.5935 49.9882 -32.2686 GPRESSAVG: 4987200 -39.6612 40.5343 10.1429 37.2811 28.3487 46.7561 12.6061 49.5233 -32.2681 TIMING: 4987200 CPU: 15007.1, 0.00305467/step Wall: 15007.1, 0.00305467/step, 0.0108611 hours remaining, 209.285156 MB of memory in use. ENERGY: 4987200 738.0587 2071.1966 1915.5515 118.7728 -206058.9518 17670.3618 0.0000 0.0000 34460.6507 -149084.3598 300.9534 -183545.0105 -148986.9091 299.7241 -58.0409 -21.9769 557538.0345 -14.6624 -14.5269 PRESSURE: 4987400 163.589 19.4855 -5.76469 19.4851 -105.412 65.4019 -5.76554 65.4018 -93.9892 GPRESSURE: 4987400 217.196 17.8176 52.5074 -30.54 -151.718 -14.1238 -47.1069 115.233 -10.4132 PRESSAVG: 4987400 -41.8267 19.6786 -5.17235 19.6785 8.64007 17.018 -5.17244 17.0179 20.4113 GPRESSAVG: 4987400 -41.0841 17.7369 -5.96677 20.4455 8.49833 16.8871 -5.76441 19.5622 20.2621 TIMING: 4987400 CPU: 15007.7, 0.00303234/step Wall: 15007.7, 0.00303234/step, 0.0106132 hours remaining, 209.285156 MB of memory in use. ENERGY: 4987400 724.7854 2069.1918 1942.0114 101.7589 -206012.7404 17599.2448 0.0000 0.0000 34414.0793 -149161.6688 300.5467 -183575.7482 -149070.2998 300.0000 -11.9371 18.3549 557029.7607 -4.2585 -4.1079 PRESSURE: 4987600 128.451 11.6347 -158.066 11.6347 55.878 151.892 -158.066 151.894 -122.964 GPRESSURE: 4987600 116.607 -11.3987 -203.963 68.0585 109.151 110.662 -140.324 98.8411 -51.8412 PRESSAVG: 4987600 -10.7737 5.9404 -53.4721 5.94042 -17.9103 44.612 -53.472 44.6121 34.4346 GPRESSAVG: 4987600 -12.7475 6.3755 -55.004 6.45449 -17.3916 45.8794 -50.3076 43.6903 35.9575 TIMING: 4987600 CPU: 15008.3, 0.00302146/step Wall: 15008.3, 0.00302146/step, 0.0104073 hours remaining, 209.285156 MB of memory in use. ENERGY: 4987600 744.1577 2138.0054 1913.7779 111.4597 -206147.2008 17789.6054 0.0000 0.0000 34272.7166 -149177.4782 299.3122 -183450.1948 -149078.3470 299.9121 20.4549 57.9723 559318.5799 1.9169 1.9394 PRESSURE: 4987800 -2.08796 103.721 -150.244 103.72 200.575 94.8264 -150.244 94.826 -10.3414 GPRESSURE: 4987800 22.6789 76.5554 -130.882 86.6881 253.072 121.195 -211.941 27.4675 13.6456 PRESSAVG: 4987800 -6.92018 46.8493 -78.9987 46.8493 11.3286 63.1607 -78.9987 63.1607 -33.1638 GPRESSAVG: 4987800 -6.21228 48.1303 -75.4647 46.6604 11.9979 63.3347 -82.4173 63.9111 -34.6601 TIMING: 4987800 CPU: 15008.9, 0.00304898/step Wall: 15008.9, 0.00304898/step, 0.0103327 hours remaining, 209.285156 MB of memory in use. ENERGY: 4987800 725.6763 2031.9993 1952.2459 115.7486 -206018.5406 17887.0293 0.0000 0.0000 34227.2888 -149078.5522 298.9154 -183305.8411 -148982.3783 299.5522 62.7153 96.4655 557702.9409 -9.5851 -9.6248 PRESSURE: 4988000 230.03 2.65313 48.0416 2.6522 25.974 -116.365 48.0426 -116.366 -89.99 GPRESSURE: 4988000 267.86 3.52472 80.9018 -4.24217 24.1733 -70.8744 35.2456 -130.291 -38.9969 PRESSAVG: 4988000 -31.9475 7.77442 -24.413 7.77451 0.235455 -35.4197 -24.413 -35.4197 -23.6018 GPRESSAVG: 4988000 -32.3984 7.05911 -26.2388 6.80765 0.820008 -37.1886 -22.6127 -35.2258 -23.8775 TIMING: 4988000 CPU: 15009.5, 0.00306153/step Wall: 15009.5, 0.00306153/step, 0.0102051 hours remaining, 209.285156 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: 4988000 716.1556 2018.0474 1980.0426 124.3200 -206019.6635 17775.8033 0.0000 0.0000 34453.4579 -148951.8368 300.8906 -183405.2947 -148853.6087 299.8662 55.3379 84.3454 556895.2573 -18.4380 -18.4853 PRESSURE: 4988200 -77.6434 -67.792 -68.6861 -67.7922 200.298 104.083 -68.6885 104.083 -56.1402 GPRESSURE: 4988200 -11.1203 -114.445 -64.498 -10.2099 199.906 22.1859 -76.4202 123.136 -24.3617 PRESSAVG: 4988200 9.42494 42.7155 -3.11953 42.7155 43.8177 42.2751 -3.11948 42.2751 -34.1546 GPRESSAVG: 4988200 11.1528 42.3905 -4.08538 44.3902 42.9866 44.0974 -2.64015 40.9924 -34.907 TIMING: 4988200 CPU: 15010.2, 0.00301512/step Wall: 15010.2, 0.00301512/step, 0.00988291 hours remaining, 209.285156 MB of memory in use. ENERGY: 4988200 785.3403 2059.6081 1937.3907 108.2097 -206308.4356 17945.0739 0.0000 0.0000 34312.7474 -149160.0655 299.6618 -183472.8129 -149071.0882 300.1041 22.1715 54.8082 557745.2827 6.3627 6.4108 LDB: ============= START OF LOAD BALANCING ============== 15013.6 LDB: ============== END OF LOAD BALANCING =============== 15013.6 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15013.6 LDB: ============= START OF LOAD BALANCING ============== 15013.9 LDB: Largest compute 4820 load 0.025938 is 21.9% of average load 0.118199 LDB: Average compute 0.001707 is 1.4% of average load 0.118199 LDB: TIME 15013.9 LOAD: AVG 0.118199 MAX 0.213551 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.035 MB LDB: TIME 15013.9 LOAD: AVG 0.118199 MAX 0.213551 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.035 MB LDB: TIME 15013.9 LOAD: AVG 0.118199 MAX 0.213551 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.035 MB LDB: ============== END OF LOAD BALANCING =============== 15013.9 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15013.9 PRESSURE: 4988400 154.961 8.39532 73.7727 8.395 113.135 -99.948 73.772 -99.9493 -119.979 GPRESSURE: 4988400 196.227 -49.4247 10.4283 -50.7955 152.856 -81.7302 145.993 -32.9436 -102.7 PRESSAVG: 4988400 -52.3864 -21.1377 -38.6329 -21.1377 83.4991 47.8107 -38.6329 47.8106 -19.6037 GPRESSAVG: 4988400 -54.2799 -21.9583 -38.1035 -21.2958 83.4692 46.6302 -38.4101 48.4045 -17.7383 TIMING: 4988400 CPU: 15010.8, 0.00305995/step Wall: 15010.8, 0.00305995/step, 0.00985983 hours remaining, 208.828125 MB of memory in use. ENERGY: 4988400 763.0412 2039.7987 1946.0402 120.2314 -206220.0756 17999.7997 0.0000 0.0000 34151.1344 -149200.0301 298.2504 -183351.1645 -149111.3775 299.0622 49.3724 82.1276 558676.5185 3.8363 3.8170 PRESSURE: 4988600 -238.123 -0.174374 26.0807 -0.174201 322.776 125.81 26.0796 125.81 -109.463 GPRESSURE: 4988600 -140.212 -27.2004 30.6137 -9.163 286.838 112.711 86.792 28.3124 -75.2529 PRESSAVG: 4988600 -26.5969 -3.10704 36.9069 -3.10706 23.3837 26.1679 36.9069 26.168 1.21295 GPRESSAVG: 4988600 -26.5585 -1.71046 37.6274 -4.3303 24.4441 27.0069 38.075 25.8224 0.469152 TIMING: 4988600 CPU: 15011.4, 0.00304261/step Wall: 15011.4, 0.00304261/step, 0.00963495 hours remaining, 208.828125 MB of memory in use. ENERGY: 4988600 764.6375 2023.3225 1958.4371 110.2530 -206503.6828 17859.5125 0.0000 0.0000 34434.1460 -149353.3743 300.7220 -183787.5203 -149251.1859 298.8795 -8.2701 23.7910 557368.0635 -0.6668 -0.5484 PRESSURE: 4988800 52.324 67.3949 114.406 67.395 -164.498 -34.8128 114.408 -34.814 8.92433 GPRESSURE: 4988800 59.2023 -11.8079 165.807 121.786 -99.3613 -9.4598 103.754 -19.6824 28.9034 PRESSAVG: 4988800 -24.4198 31.7086 -44.0194 31.7086 -56.6157 8.53968 -44.0194 8.53963 30.0669 GPRESSAVG: 4988800 -24.4837 31.4674 -42.7074 31.587 -55.898 7.97155 -45.9141 8.80477 29.4885 TIMING: 4988800 CPU: 15012, 0.00302623/step Wall: 15012, 0.00302623/step, 0.00941495 hours remaining, 208.828125 MB of memory in use. ENERGY: 4988800 715.9211 2104.7878 1945.5229 99.7375 -206072.6096 17712.2322 0.0000 0.0000 34181.7469 -149312.6612 298.5177 -183494.4080 -149213.1283 298.7162 -34.4165 -3.7519 558487.3990 -16.9895 -16.9644 PRESSURE: 4989000 -15.1197 -30.0376 -88.7144 -30.0381 108.931 -93.4065 -88.7143 -93.4081 -142.801 GPRESSURE: 4989000 20.574 37.4211 -115.891 -140.049 120.249 -52.7047 -63.0934 -88.5934 -100.943 PRESSAVG: 4989000 -15.154 -0.388143 2.42441 -0.388138 36.5713 -47.8172 2.42451 -47.8172 -42.8474 GPRESSAVG: 4989000 -13.8352 -0.83203 3.14514 0.0881001 34.781 -47.3884 0.563019 -47.3231 -42.2335 TIMING: 4989000 CPU: 15012.6, 0.00299761/step Wall: 15012.6, 0.00299761/step, 0.00915936 hours remaining, 208.828125 MB of memory in use. ENERGY: 4989000 715.5923 2121.0139 1943.7383 101.2032 -206273.6871 17855.3734 0.0000 0.0000 34294.6945 -149242.0715 299.5041 -183536.7660 -149143.5168 298.8977 -16.3300 13.2933 559034.9028 -7.1433 -7.0959 PRESSURE: 4989200 -253.296 161.365 51.5692 161.366 -254.304 54.0188 51.5687 54.0174 -472.533 GPRESSURE: 4989200 -179.486 149.157 36.3451 208.2 -280.351 60.073 102.383 6.44284 -430.929 PRESSAVG: 4989200 -43.5902 54.353 0.0779764 54.353 41.9362 22.9867 0.0780995 22.9867 -0.779659 GPRESSAVG: 4989200 -44.4501 53.4637 -1.6585 54.8029 42.3816 23.022 2.87967 21.9094 -0.67238 TIMING: 4989200 CPU: 15013.2, 0.00301085/step Wall: 15013.2, 0.00301085/step, 0.00903254 hours remaining, 208.828125 MB of memory in use. ENERGY: 4989200 791.6933 2050.1229 1920.5983 116.4615 -205732.7341 17458.5186 0.0000 0.0000 34103.2769 -149292.0625 297.8324 -183395.3395 -149195.5594 299.0954 -326.7108 -296.9221 559083.6744 -0.8112 -0.9136 PRESSURE: 4989400 -62.1444 -203.562 -85.4544 -203.563 249.41 -66.7737 -85.4535 -66.7742 -77.3358 GPRESSURE: 4989400 2.39502 -170.633 -9.43084 -193.908 225.939 -131.571 -26.3838 -59.2991 -16.0959 PRESSAVG: 4989400 7.90736 -13.8953 9.71586 -13.8952 26.775 17.1636 9.71601 17.1634 -59.5202 GPRESSAVG: 4989400 8.44003 -11.5629 9.59623 -15.066 26.7707 18.2633 9.32676 15.9213 -60.313 TIMING: 4989400 CPU: 15013.8, 0.00301946/step Wall: 15013.8, 0.00301946/step, 0.00889064 hours remaining, 208.828125 MB of memory in use. ENERGY: 4989400 717.5817 2048.1124 1926.7347 124.7725 -206263.8474 17832.0347 0.0000 0.0000 34306.7809 -149307.8305 299.6097 -183614.6114 -149204.6444 298.6491 36.6433 70.7460 557186.9084 -8.2793 -8.3674 PRESSURE: 4989600 44.337 -97.557 81.2903 -97.5571 295.115 -21.5528 81.2883 -21.5526 179.644 GPRESSURE: 4989600 78.1722 -40.9321 143.166 -24.6955 345.241 2.39187 50.9551 -63.1324 186.507 PRESSAVG: 4989600 -20.9357 -46.3442 8.88669 -46.3442 46.1628 33.6001 8.88668 33.5998 14.4488 GPRESSAVG: 4989600 -21.519 -48.4778 8.36008 -45.3483 45.6418 32.7021 8.1741 34.2319 15.6029 TIMING: 4989600 CPU: 15014.4, 0.00301431/step Wall: 15014.4, 0.00301431/step, 0.00870801 hours remaining, 208.828125 MB of memory in use. ENERGY: 4989600 700.7756 2068.3502 1942.4777 124.8317 -206410.5704 18025.1526 0.0000 0.0000 34224.2905 -149324.6923 298.8892 -183548.9828 -149234.4110 298.8933 173.0320 203.3067 557042.8532 13.2253 13.2419 PRESSURE: 4989800 -317.621 91.6982 27.9575 91.6985 20.674 15.4783 27.9581 15.4787 33.0169 GPRESSURE: 4989800 -291.773 132.43 85.1416 149.678 86.6457 -37.7966 28.7322 66.1404 37.5533 PRESSAVG: 4989800 -41.2801 53.3689 -11.8436 53.3689 -5.27961 62.923 -11.8436 62.923 31.6238 GPRESSAVG: 4989800 -39.9243 52.9045 -10.3129 53.9809 -4.03384 63.4476 -10.9322 62.9631 29.5776 TIMING: 4989800 CPU: 15015, 0.00301709/step Wall: 15015, 0.00301709/step, 0.00854843 hours remaining, 208.828125 MB of memory in use. ENERGY: 4989800 712.6057 2078.6562 1919.5190 111.5792 -206172.4221 17750.7275 0.0000 0.0000 34197.1337 -149402.2008 298.6521 -183599.3344 -149307.7038 298.8993 -87.9766 -55.8580 558512.0312 -4.9786 -4.7935 PRESSURE: 4990000 145.11 -80.6558 206.338 -80.6563 254.187 149.324 206.337 149.322 211.578 GPRESSURE: 4990000 173.25 -116.664 159.038 -30.7821 311.731 75.4993 131.772 179.607 217.859 PRESSAVG: 4990000 15.9065 -18.9944 -40.2674 -18.9944 -24.687 -36.0853 -40.2675 -36.0854 57.3046 GPRESSAVG: 4990000 14.836 -17.1873 -40.7407 -20.855 -26.4192 -37.6101 -44.3768 -34.3511 60.3469 TIMING: 4990000 CPU: 15015.6, 0.00303111/step Wall: 15015.6, 0.00303111/step, 0.00841974 hours remaining, 208.828125 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: 4990000 724.1721 2090.5322 1914.2456 119.8167 -206459.6399 18063.5931 0.0000 0.0000 34245.5329 -149301.7473 299.0748 -183547.2802 -149210.0647 299.1163 203.6247 234.2802 556558.8905 16.1747 16.2545 PRESSURE: 4990200 -61.2583 31.1973 -73.0685 31.1976 -108.719 -11.0661 -73.0689 -11.0673 181.175 GPRESSURE: 4990200 -77.2616 -17.7636 15.5774 91.8838 -58.4578 -93.8418 -110.644 50.9244 240.834 PRESSAVG: 4990200 -10.8509 -18.6615 7.59579 -18.6614 -5.79749 -7.71232 7.59584 -7.7125 25.2162 GPRESSAVG: 4990200 -10.8302 -19.5429 8.96422 -16.7044 -4.75459 -8.3252 8.95977 -9.02605 24.0298 TIMING: 4990200 CPU: 15016.2, 0.00305434/step Wall: 15016.2, 0.00305434/step, 0.0083146 hours remaining, 208.828125 MB of memory in use. ENERGY: 4990200 716.0095 2093.5690 1941.7863 117.2799 -206281.4109 17972.3188 0.0000 0.0000 34161.9241 -149278.5233 298.3446 -183440.4474 -149179.8372 298.5264 3.7325 35.0384 559155.0279 2.8559 2.8150 PRESSURE: 4990400 -267.695 -24.2646 -41.4171 -24.2652 -89.8461 -223.617 -41.4156 -223.617 -309.39 GPRESSURE: 4990400 -220.313 -3.06401 -58.5637 -136.892 -83.4269 -209.804 -49.852 -221.609 -262.047 PRESSAVG: 4990400 -13.876 -3.96862 -14.0536 -3.96858 10.9418 -32.8914 -14.0536 -32.8914 23.1053 GPRESSAVG: 4990400 -14.2303 -4.7268 -15.7657 -5.6062 10.4782 -30.7927 -13.5934 -33.3342 24.212 TIMING: 4990400 CPU: 15016.8, 0.00304766/step Wall: 15016.8, 0.00304766/step, 0.0081271 hours remaining, 208.828125 MB of memory in use. ENERGY: 4990400 735.8436 2057.8704 1948.3006 115.9087 -206010.2611 17544.5952 0.0000 0.0000 34301.4852 -149306.2575 299.5634 -183607.7426 -149208.3161 298.6795 -222.3106 -188.5955 558595.1152 6.7237 6.8199 PRESSURE: 4990600 -22.7832 2.19313 -65.1691 2.19314 89.1445 117.106 -65.1692 117.107 151.906 GPRESSURE: 4990600 63.4056 61.665 -21.8581 21.9534 108.351 153.948 -109.69 118.986 138.395 PRESSAVG: 4990600 -109.143 -36.9426 -12.0649 -36.9426 72.1309 3.06184 -12.065 3.06187 1.71013 GPRESSAVG: 4990600 -109.176 -35.9168 -12.7008 -35.3599 73.5797 2.34831 -9.06564 4.78271 -0.0553188 TIMING: 4990600 CPU: 15017.4, 0.00304151/step Wall: 15017.4, 0.00304151/step, 0.00794173 hours remaining, 208.828125 MB of memory in use. ENERGY: 4990600 743.1650 2113.7972 1927.0829 109.9660 -206490.3534 17868.7206 0.0000 0.0000 34350.2358 -149377.3860 299.9892 -183727.6217 -149283.4188 299.2167 72.7559 103.3839 556452.4500 -11.7672 -11.8840 PRESSURE: 4990800 81.149 55.7539 -30.1124 55.7529 -61.3213 -174.026 -30.1129 -174.027 86.4211 GPRESSURE: 4990800 120.728 68.5647 -26.2086 119.117 -9.99213 -139.45 -32.1843 -96.7187 92.0476 PRESSAVG: 4990800 -51.9975 -12.0611 8.12153 -12.0611 39.415 -10.545 8.12159 -10.545 43.0299 GPRESSAVG: 4990800 -51.8046 -11.9754 10.2215 -11.5567 38.8796 -10.2689 3.85899 -12.1274 42.9662 TIMING: 4990800 CPU: 15018, 0.00305647/step Wall: 15018, 0.00305647/step, 0.00781099 hours remaining, 208.828125 MB of memory in use. ENERGY: 4990800 736.9726 2046.9140 1953.4224 106.7571 -206303.0642 17841.0218 0.0000 0.0000 34245.0802 -149372.8959 299.0708 -183617.9762 -149273.4884 298.3770 35.4163 67.5946 557916.9827 10.1491 10.0137 PRESSURE: 4991000 203.998 5.82689 19.7035 5.82852 44.2162 112.808 19.7035 112.807 132.386 GPRESSURE: 4991000 213.904 15.001 156.385 -104.853 114.686 47.3321 -94.0715 58.3719 152.14 PRESSAVG: 4991000 -52.4564 -72.3834 21.6845 -72.3833 -25.498 -6.64235 21.6845 -6.64237 69.3678 GPRESSAVG: 4991000 -51.8956 -72.7758 23.2336 -72.9423 -27.1959 -6.42293 21.1706 -6.32479 70.4117 TIMING: 4991000 CPU: 15018.7, 0.0030677/step Wall: 15018.7, 0.0030677/step, 0.00766924 hours remaining, 208.828125 MB of memory in use. ENERGY: 4991000 698.4554 2144.2113 1937.1345 103.5269 -206456.5176 17912.4363 0.0000 0.0000 34255.6730 -149405.0803 299.1633 -183660.7533 -149308.0679 299.1709 126.8668 160.2436 557127.8505 -2.8622 -2.8933 PRESSURE: 4991200 -82.0524 -4.87743 3.11195 -4.87808 26.0718 -30.3714 3.11166 -30.3706 -56.832 GPRESSURE: 4991200 -72.2886 -39.0435 124.129 27.034 58.1567 -108.191 52.9424 35.1746 7.04159 PRESSAVG: 4991200 -8.54357 -13.8642 84.6772 -13.8643 -8.09288 -19.0549 84.6771 -19.0549 33.6007 GPRESSAVG: 4991200 -8.9498 -14.7219 81.8993 -12.1243 -6.5612 -20.873 87.3095 -18.7685 32.7405 TIMING: 4991200 CPU: 15019.3, 0.00303705/step Wall: 15019.3, 0.00303705/step, 0.00742391 hours remaining, 208.828125 MB of memory in use. ENERGY: 4991200 731.5063 2094.4379 1948.7801 113.1130 -206740.3948 17968.6419 0.0000 0.0000 34361.6667 -149522.2490 300.0890 -183883.9157 -149424.0216 298.3804 -37.6042 -2.3634 557740.5158 5.6547 5.7432 PRESSURE: 4991400 -268.792 -29.2253 102.432 -29.2251 -133.933 -165.446 102.431 -165.446 -295.539 GPRESSURE: 4991400 -229.203 -57.6602 27.8995 -18.4001 -90.1194 -181.059 91.5152 -53.5977 -278.115 PRESSAVG: 4991400 15.4433 27.804 33.0278 27.804 31.9141 0.43198 33.0277 0.431856 -49.5801 GPRESSAVG: 4991400 15.945 30.0816 31.3731 24.3542 30.9859 0.976108 32.8429 -0.0766365 -48.5261 TIMING: 4991400 CPU: 15019.9, 0.00302587/step Wall: 15019.9, 0.00302587/step, 0.00722847 hours remaining, 208.828125 MB of memory in use. ENERGY: 4991400 773.5633 2092.7780 1964.7424 105.8502 -206500.1881 17765.6550 0.0000 0.0000 34366.8917 -149430.7075 300.1346 -183797.5993 -149331.4692 298.9226 -232.7547 -199.1459 559859.2102 -0.7409 -0.5317 PRESSURE: 4991600 -63.2822 33.5988 -51.5276 33.5984 -34.7912 128.36 -51.5276 128.359 -52.9775 GPRESSURE: 4991600 -3.47993 -23.7218 -29.5846 111 12.6415 183.201 -84.5558 54.6004 -53.1874 PRESSAVG: 4991600 1.81642 -9.78033 11.6791 -9.78026 23.9785 41.2415 11.6791 41.2415 -32.9345 GPRESSAVG: 4991600 2.52775 -10.0458 13.3161 -8.42303 24.7184 44.0749 10.5006 41.9057 -34.3029 TIMING: 4991600 CPU: 15020.5, 0.00301823/step Wall: 15020.5, 0.00301823/step, 0.00704255 hours remaining, 208.828125 MB of memory in use. ENERGY: 4991600 804.4082 2133.3095 1945.8954 100.0237 -206560.9057 17879.2620 0.0000 0.0000 34124.1357 -149573.8711 298.0146 -183698.0068 -149480.6752 298.6781 -50.3503 -14.6753 556582.9041 -2.3799 -2.3522 PRESSURE: 4991800 -409.413 121.687 -104.161 121.687 -73.4072 -12.7757 -104.162 -12.7764 -222.91 GPRESSURE: 4991800 -424.329 153.735 -101.598 25.8683 -56.3781 61.5246 -74.1785 -19.576 -138.7 PRESSAVG: 4991800 -3.00771 -28.6963 18.054 -28.6963 13.6889 37.724 18.0539 37.7239 -11.8671 GPRESSAVG: 4991800 -3.91932 -30.3005 16.6784 -27.6289 14.1253 35.2808 20.0735 37.7441 -12.0675 TIMING: 4991800 CPU: 15021.1, 0.00302992/step Wall: 15021.1, 0.00302992/step, 0.00690149 hours remaining, 208.828125 MB of memory in use. ENERGY: 4991800 769.0144 2058.9210 1934.8902 97.4028 -206038.3277 17577.5452 0.0000 0.0000 34113.0101 -149487.5440 297.9174 -183600.5540 -149386.2720 298.4555 -235.2433 -206.4690 557596.6325 -0.3953 -0.6205 PRESSURE: 4992000 -340.405 -34.3665 24.8934 -34.3668 30.5158 -59.314 24.8933 -59.3145 134.155 GPRESSURE: 4992000 -286.007 -156.911 -83.3854 -6.60193 32.6392 0.653235 22.8282 -7.00887 164.076 PRESSAVG: 4992000 -46.2889 -23.8078 -54.8725 -23.8079 -5.55011 -6.3246 -54.8725 -6.32463 84.2735 GPRESSAVG: 4992000 -45.1081 -21.7548 -50.2297 -24.2869 -6.70448 -7.4381 -58.0269 -6.70016 84.0396 TIMING: 4992000 CPU: 15021.7, 0.00303427/step Wall: 15021.7, 0.00303427/step, 0.00674281 hours remaining, 208.828125 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: 4992000 760.1692 2080.0369 1966.1330 106.1101 -206130.7886 17682.6050 0.0000 0.0000 34233.8875 -149301.8470 298.9731 -183535.7345 -149208.3774 298.9279 -58.5780 -29.7639 556552.1090 10.8115 10.7423 PRESSURE: 4992200 -41.8853 -29.3842 70.0091 -29.3851 -233.431 75.0283 70.0102 75.029 -144.557 GPRESSURE: 4992200 11.4419 15.5575 60.9683 -35.7448 -250.114 106.428 75.7125 92.1467 -89.0189 PRESSAVG: 4992200 -69.2054 -43.5028 -20.5035 -43.5027 15.5555 3.7641 -20.5036 3.76412 5.78451 GPRESSAVG: 4992200 -69.8072 -44.7041 -22.6743 -43.2919 14.2974 6.24288 -17.3694 3.25224 7.06458 TIMING: 4992200 CPU: 15022.3, 0.00302595/step Wall: 15022.3, 0.00302595/step, 0.00655622 hours remaining, 208.828125 MB of memory in use. ENERGY: 4992200 750.0610 2106.6413 1935.5969 100.1106 -205766.1829 17426.7712 0.0000 0.0000 34375.8143 -149071.1875 300.2125 -183447.0018 -148962.6990 298.9558 -139.9576 -109.2302 557174.9478 -15.9551 -16.1484 LDB: ============= START OF LOAD BALANCING ============== 15025.7 LDB: ============== END OF LOAD BALANCING =============== 15025.7 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15025.7 LDB: ============= START OF LOAD BALANCING ============== 15026 LDB: Largest compute 4820 load 0.026996 is 22.8% of average load 0.118235 LDB: Average compute 0.001706 is 1.4% of average load 0.118235 LDB: TIME 15026 LOAD: AVG 0.118235 MAX 0.219009 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 208.379 MB LDB: TIME 15026 LOAD: AVG 0.118235 MAX 0.219009 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.383 MB LDB: TIME 15026 LOAD: AVG 0.118235 MAX 0.219009 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 208.383 MB LDB: Reverting to original mapping LDB: ============== END OF LOAD BALANCING =============== 15026 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15026 PRESSURE: 4992400 -122.053 -82.0029 45.9563 -82.0009 -61.259 -30.1547 45.9569 -30.1541 -12.2493 GPRESSURE: 4992400 -134.614 -157.225 96.8148 -20.8314 -1.24195 -86.3855 -30.2915 -39.5117 45.939 PRESSAVG: 4992400 -69.4182 0.716015 0.669309 0.715988 47.7883 -1.09005 0.669257 -1.09014 51.2989 GPRESSAVG: 4992400 -69.6637 0.955009 -1.07694 -2.13811 48.3596 -2.41491 -1.0141 -1.27406 50.8771 TIMING: 4992400 CPU: 15022.9, 0.00309171/step Wall: 15022.9, 0.00309171/step, 0.00652695 hours remaining, 207.804688 MB of memory in use. ENERGY: 4992400 731.6320 2053.5174 1922.9371 119.2795 -206144.8131 17616.4692 0.0000 0.0000 34504.4610 -149196.5170 301.3360 -183700.9780 -149100.0886 299.5512 -65.1870 -29.9723 558124.9774 9.8897 9.8576 PRESSURE: 4992600 -136.971 80.7716 234.084 80.7721 -255.124 -64.7684 234.084 -64.7708 339.136 GPRESSURE: 4992600 -53.5769 183.251 241.419 35.1839 -241.46 -23.6997 197.118 -147.757 333.24 PRESSAVG: 4992600 -17.8598 -19.122 14.2061 -19.122 6.40095 -22.9644 14.2061 -22.9644 64.0877 GPRESSAVG: 4992600 -17.5899 -20.3836 14.7769 -16.0436 6.29932 -23.8853 13.3341 -20.8339 63.3617 TIMING: 4992600 CPU: 15023.5, 0.00302655/step Wall: 15023.5, 0.00302655/step, 0.00622125 hours remaining, 207.875000 MB of memory in use. ENERGY: 4992600 721.6259 2139.8345 1911.5089 98.3414 -206085.4172 17802.4587 0.0000 0.0000 34346.2144 -149065.4333 299.9540 -183411.6477 -148968.9771 299.8973 -17.6531 12.7343 558848.9889 17.5430 17.3570 PRESSURE: 4992800 89.8701 126.074 33.1041 126.074 -92.9688 29.1726 33.1039 29.1716 15.2278 GPRESSURE: 4992800 121.926 84.1332 12.7192 74.2543 -40.5984 54.2527 -8.40628 57.2496 30.9006 PRESSAVG: 4992800 122.439 -13.5936 2.56303 -13.5936 -68.0107 -10.3348 2.56306 -10.3348 -64.1146 GPRESSAVG: 4992800 120.692 -12.6097 0.583314 -15.6113 -67.288 -8.02248 2.80272 -13.3303 -63.8577 TIMING: 4992800 CPU: 15024.1, 0.00300888/step Wall: 15024.1, 0.00300888/step, 0.00601775 hours remaining, 207.875000 MB of memory in use. ENERGY: 4992800 776.8129 2066.9080 1941.8006 110.9101 -206422.7225 17887.2454 0.0000 0.0000 34544.5250 -149094.5206 301.6859 -183639.0456 -148997.0971 299.6494 4.0430 37.4094 557899.2729 -3.2288 -3.4844 PRESSURE: 4993000 318.765 138.073 65.4351 138.072 -165.475 -119.188 65.4339 -119.188 40.7721 GPRESSURE: 4993000 383.033 51.465 92.6073 157.704 -108.426 -122.43 29.4957 -37.1908 21.1793 PRESSAVG: 4993000 76.9045 -43.5223 -6.70786 -43.5222 -6.30367 40.6555 -6.70786 40.6554 -43.3506 GPRESSAVG: 4993000 78.5876 -44.6697 -6.10025 -39.7434 -8.2098 38.2671 -3.75359 44.1041 -43.3069 TIMING: 4993000 CPU: 15024.7, 0.00299798/step Wall: 15024.7, 0.00299798/step, 0.0058294 hours remaining, 207.875000 MB of memory in use. ENERGY: 4993000 733.8768 2063.3306 1953.2655 116.8016 -206091.3153 17907.9221 0.0000 0.0000 34252.8103 -149063.3083 299.1383 -183316.1186 -148967.4822 299.6987 64.6875 98.5954 558162.5799 9.0834 9.0236 PRESSURE: 4993200 131.061 -54.3295 21.3255 -54.3282 -48.4684 -3.97482 21.3261 -3.97501 -300.984 GPRESSURE: 4993200 101.523 -34.2609 95.7394 -83.3332 -25.807 -17.7108 -7.62757 57.2271 -204.246 PRESSAVG: 4993200 85.6656 -4.7173 -20.9724 -4.7172 -66.1816 -11.5143 -20.9724 -11.5144 -5.10331 GPRESSAVG: 4993200 84.726 -2.16752 -18.1722 -7.59704 -66.0855 -10.2828 -22.4285 -13.6931 -4.78248 TIMING: 4993200 CPU: 15025.3, 0.00300091/step Wall: 15025.3, 0.00300091/step, 0.00566839 hours remaining, 207.875000 MB of memory in use. ENERGY: 4993200 741.9501 2103.7538 1955.7340 103.6426 -206066.0354 17844.8238 0.0000 0.0000 34316.9489 -148999.1822 299.6985 -183316.1311 -148905.1613 299.4089 -72.7972 -42.8435 559275.1850 4.7936 4.6193 PRESSURE: 4993400 14.2967 -128.402 -138.523 -128.402 78.7036 43.1968 -138.524 43.1968 146.373 GPRESSURE: 4993400 48.113 -126.194 -169.9 -109.307 99.6643 46.5504 -194.216 41.4377 195.505 PRESSAVG: 4993400 96.1548 -1.53422 1.07872 -1.53421 -17.1101 24.912 1.07877 24.9121 -87.446 GPRESSAVG: 4993400 94.6031 -3.65591 0.188426 -1.95914 -15.8326 24.3479 1.33975 26.6311 -87.605 TIMING: 4993400 CPU: 15025.9, 0.00300799/step Wall: 15025.9, 0.00300799/step, 0.00551465 hours remaining, 207.875000 MB of memory in use. ENERGY: 4993400 719.5519 2138.4274 1956.9247 138.9433 -206401.5514 17880.1889 0.0000 0.0000 34417.6315 -149149.8838 300.5777 -183567.5153 -149048.6368 299.8814 79.7913 114.4273 557748.6877 -2.8005 -2.9448 PRESSURE: 4993600 -52.7693 57.6448 -9.27274 57.6438 -73.5541 96.7753 -9.27211 96.7762 -147.635 GPRESSURE: 4993600 -24.5043 43.3358 69.756 -2.69652 -14.9873 58.3378 36.1714 115.465 -131.733 PRESSAVG: 4993600 36.6965 3.63134 -59.4734 3.6313 -35.9165 59.6027 -59.4733 59.6027 -14.9738 GPRESSAVG: 4993600 38.5404 4.7168 -58.6455 6.12099 -37.1281 59.474 -59.7976 57.5132 -15.2516 TIMING: 4993600 CPU: 15026.5, 0.00300371/step Wall: 15026.5, 0.00300371/step, 0.00533992 hours remaining, 207.875000 MB of memory in use. ENERGY: 4993600 747.7477 2119.3277 1938.6169 117.1537 -206104.4262 17715.0611 0.0000 0.0000 34301.6510 -149164.8681 299.5648 -183466.5192 -149070.2882 299.5906 -91.3195 -57.0750 558122.2715 -4.7313 -4.6131 PRESSURE: 4993800 -278.576 136.725 22.7265 136.726 -143.639 -34.2511 22.7283 -34.2512 47.0837 GPRESSURE: 4993800 -297.995 180.303 13.0902 34.061 -106.648 -12.1278 -4.03162 -66.3532 119.325 PRESSAVG: 4993800 54.2244 -22.6551 -33.5555 -22.655 -4.22623 9.88099 -33.5553 9.881 -4.25301 GPRESSAVG: 4993800 53.9337 -20.8639 -34.8278 -25.7735 -3.69918 8.61726 -34.3135 12.1426 -4.55265 TIMING: 4993800 CPU: 15027.1, 0.00300541/step Wall: 15027.1, 0.00300541/step, 0.00517599 hours remaining, 207.875000 MB of memory in use. ENERGY: 4993800 717.7604 2159.6053 1967.7024 103.1225 -205963.5793 17624.5539 0.0000 0.0000 34365.1482 -149025.6865 300.1194 -183390.8347 -148933.2367 299.8158 -125.0440 -95.1058 556539.2783 15.2484 15.2273 PRESSURE: 4994000 35.0031 104.935 -10.102 104.936 -129.547 -39.6198 -10.1026 -39.6206 -214.728 GPRESSURE: 4994000 55.8665 162.304 -42.9277 78.828 -106.124 -20.1196 -11.9966 -54.2053 -166.68 PRESSAVG: 4994000 -37.2744 -12.9389 -19.0487 -12.939 41.7891 -32.5121 -19.0487 -32.512 4.2716 GPRESSAVG: 4994000 -37.2698 -14.215 -18.743 -10.8159 42.0824 -30.3242 -17.7607 -34.9084 3.67873 TIMING: 4994000 CPU: 15027.7, 0.00301678/step Wall: 15027.7, 0.00301678/step, 0.00502797 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: 4994000 756.1814 2083.7295 1945.0993 115.2887 -206251.7652 17721.3892 0.0000 0.0000 34544.7048 -149085.3724 301.6875 -183630.0772 -148982.6914 299.8992 -103.0908 -72.3124 556335.1250 2.9288 2.8304 PRESSURE: 4994200 -120.519 38.55 100.693 38.5497 -257.238 71.0309 100.693 71.0318 -198.808 GPRESSURE: 4994200 -38.2243 37.2105 72.649 122.015 -244.13 11.0109 74.668 20.3889 -193.43 PRESSAVG: 4994200 64.2921 -17.1283 23.6611 -17.1283 -73.187 -29.0008 23.6611 -29.0008 24.8784 GPRESSAVG: 4994200 64.282 -16.9569 23.1475 -16.6492 -74.2187 -27.9915 24.131 -28.4408 26.1968 TIMING: 4994200 CPU: 15028.3, 0.00303141/step Wall: 15028.3, 0.00303141/step, 0.00488394 hours remaining, 207.875000 MB of memory in use. ENERGY: 4994200 737.1440 2079.0034 1942.0179 119.1660 -205846.8798 17484.6823 0.0000 0.0000 34335.2966 -149149.5696 299.8587 -183484.8662 -149056.6029 299.5413 -192.1883 -158.5949 556000.7045 5.3278 5.4200 PRESSURE: 4994400 -205 -108.342 -57.1168 -108.343 -249.314 -193.719 -57.1173 -193.719 -93.5282 GPRESSURE: 4994400 -125.132 -33.2435 -63.0854 -171.925 -258.755 -219.041 -31.3129 -173.944 -80.8898 PRESSAVG: 4994400 18.1174 -50.2045 6.77956 -50.2044 33.0955 -24.5067 6.77959 -24.5067 -60.3296 GPRESSAVG: 4994400 19.085 -48.7711 7.04722 -52.5369 32.8021 -24.642 5.49466 -24.7586 -61.0446 TIMING: 4994400 CPU: 15028.9, 0.00303712/step Wall: 15028.9, 0.00303712/step, 0.00472441 hours remaining, 207.875000 MB of memory in use. ENERGY: 4994400 767.1582 2089.6941 1965.8789 124.6419 -206180.6774 17657.0437 0.0000 0.0000 34444.8174 -149131.4431 300.8152 -183576.2605 -149032.3473 299.2441 -182.6138 -154.9257 558859.6760 -3.0389 -3.0525 PRESSURE: 4994600 -163.694 7.25181 -74.5065 7.25154 -25.1967 -226.772 -74.5068 -226.77 44.7315 GPRESSURE: 4994600 -92.6108 -29.8362 -46.6233 -18.9307 -20.8225 -157.752 -72.4873 -196.137 54.1132 PRESSAVG: 4994600 -59.8814 -60.4376 7.54901 -60.4377 62.5795 -61.106 7.54903 -61.1062 -11.5617 GPRESSAVG: 4994600 -60.9397 -62.433 6.91282 -59.8965 63.026 -63.5596 8.89026 -60.6211 -10.7869 TIMING: 4994600 CPU: 15029.5, 0.00303847/step Wall: 15029.5, 0.00303847/step, 0.00455771 hours remaining, 207.875000 MB of memory in use. ENERGY: 4994600 725.4751 2075.4825 1976.4691 109.3178 -205892.2030 17670.3017 0.0000 0.0000 34313.0013 -149022.1555 299.6640 -183335.1569 -148921.6255 299.7917 -48.0532 -19.7734 557893.6188 -2.9545 -2.9002 PRESSURE: 4994800 0.141283 -58.7896 175.148 -58.7894 178.731 11.0812 175.149 11.0827 132.172 GPRESSURE: 4994800 46.9563 -105.375 167.786 -63.5514 212.397 -23.829 170.206 60.8035 150.872 PRESSAVG: 4994800 16.4716 -11.5073 -6.80269 -11.5073 -2.23248 -17.737 -6.8028 -17.737 -16.6685 GPRESSAVG: 4994800 16.7542 -11.5375 -7.43917 -10.0999 -0.740625 -16.576 -7.40728 -20.5915 -18.211 TIMING: 4994800 CPU: 15030.1, 0.00305849/step Wall: 15030.1, 0.00305849/step, 0.00441782 hours remaining, 207.875000 MB of memory in use. ENERGY: 4994800 778.0136 2108.2981 1959.7965 111.6585 -206494.5227 18013.0040 0.0000 0.0000 34599.9951 -148923.7570 302.1704 -183523.7521 -148825.2448 300.2703 103.6816 136.7418 556322.0439 -0.8098 -0.7325 PRESSURE: 4995000 -153.965 -47.6485 -87.2541 -47.648 175.258 55.8976 -87.2543 55.8975 73.4719 GPRESSURE: 4995000 -105.359 -66.9666 -143.582 -153.896 225.047 28.4431 -12.1509 -20.4098 75.261 PRESSAVG: 4995000 0.375166 -11.8241 57.986 -11.8241 15.6255 -35.5117 57.9861 -35.5116 -39.9568 GPRESSAVG: 4995000 -0.728171 -10.3135 59.2616 -11.5984 13.9202 -35.0519 58.6804 -34.284 -37.4109 TIMING: 4995000 CPU: 15030.8, 0.00302514/step Wall: 15030.8, 0.00302514/step, 0.00420158 hours remaining, 207.875000 MB of memory in use. ENERGY: 4995000 769.6401 2134.3710 1965.7898 108.1415 -206243.8876 17890.6631 0.0000 0.0000 34700.2893 -148674.9929 303.0463 -183375.2822 -148575.7061 301.2803 31.5884 64.9828 558236.8053 -7.9854 -8.0730 PRESSURE: 4995200 90.719 60.3393 22.6253 60.3391 106.932 -42.839 22.6262 -42.8375 -108.469 GPRESSURE: 4995200 107.176 75.577 0.798151 84.7747 163.93 -58.8622 118.689 -54.1402 -80.5844 PRESSAVG: 4995200 54.7786 42.1942 60.6337 42.1942 21.4208 28.0515 60.6337 28.0516 -51.3101 GPRESSAVG: 4995200 55.9896 42.0526 60.5938 40.1488 22.391 26.8931 60.6408 28.9209 -53.747 TIMING: 4995200 CPU: 15031.4, 0.00300437/step Wall: 15031.4, 0.00300437/step, 0.00400582 hours remaining, 207.875000 MB of memory in use. ENERGY: 4995200 734.4747 2157.8793 1958.0661 115.3533 -206098.1945 17987.2549 0.0000 0.0000 34369.6744 -148775.4918 300.1589 -183145.1663 -148678.8708 300.8728 29.7275 63.5070 557558.3693 8.2964 8.2112 PRESSURE: 4995400 3.85793 16.1735 7.93169 16.1741 -15.6472 -32.1039 7.93231 -32.1025 -52.2628 GPRESSURE: 4995400 72.0991 31.0048 -1.52149 -18.4288 56.8323 1.08006 -27.1616 -11.5964 -86.9069 PRESSAVG: 4995400 -78.8748 1.83498 -14.177 1.83504 46.8864 3.05231 -14.177 3.0523 77.9537 GPRESSAVG: 4995400 -80.0209 2.90127 -14.9487 2.69361 47.4541 5.47229 -15.324 1.93495 77.8474 TIMING: 4995400 CPU: 15032, 0.00306032/step Wall: 15032, 0.00306032/step, 0.00391041 hours remaining, 207.875000 MB of memory in use. ENERGY: 4995400 731.3572 2123.8323 1944.9944 112.1235 -206079.2536 17708.1468 0.0000 0.0000 34497.9921 -148960.8073 301.2795 -183458.7994 -148862.7467 300.3678 -21.3507 14.0082 557956.7741 15.3218 15.0935 PRESSURE: 4995600 -232.448 125.277 -3.44079 125.276 -215.33 152.786 -3.44063 152.787 -15.7947 GPRESSURE: 4995600 -174.256 178.625 -86.6624 101.309 -204.113 18.4251 -44.9405 207.611 6.92011 PRESSAVG: 4995600 6.52178 3.14018 -25.0277 3.14017 86.7714 60.4859 -25.0277 60.4858 -49.4887 GPRESSAVG: 4995600 6.57096 1.71695 -22.8561 2.13153 84.9533 57.6693 -25.973 64.264 -48.2311 TIMING: 4995600 CPU: 15032.6, 0.00304406/step Wall: 15032.6, 0.00304406/step, 0.00372052 hours remaining, 207.875000 MB of memory in use. ENERGY: 4995600 774.2681 2096.1899 1940.5597 110.6164 -206381.9388 17912.7984 0.0000 0.0000 34366.0377 -149181.4687 300.1272 -183547.5064 -149079.9788 299.3491 -154.5243 -123.8161 557742.0938 14.6015 14.4311 PRESSURE: 4995800 -81.026 -9.57503 76.8507 -9.57554 -191.582 -28.0059 76.8493 -28.0086 -174.7 GPRESSURE: 4995800 -45.8163 38.0543 87.5279 53.5563 -143.615 -44.188 89.4719 -13.3044 -156.137 PRESSAVG: 4995800 -0.113461 12.9287 -4.2442 12.9287 5.94973 -10.2866 -4.24421 -10.2866 -24.7039 GPRESSAVG: 4995800 -0.957932 12.5713 -4.89744 13.7387 6.93785 -9.83202 -3.38836 -11.2174 -24.8307 TIMING: 4995800 CPU: 15033.2, 0.0030414/step Wall: 15033.2, 0.0030414/step, 0.0035483 hours remaining, 207.875000 MB of memory in use. ENERGY: 4995800 785.7990 2085.0032 1952.2853 113.6787 -205838.8053 17647.5455 0.0000 0.0000 34139.9091 -149114.5846 298.1523 -183254.4936 -149009.8079 299.2732 -149.1028 -115.1896 557884.5804 -6.2892 -6.2836 PRESSURE: 4996000 -78.19 -83.363 -18.4093 -83.3629 -67.0652 -175.05 -18.4095 -175.051 -221.842 GPRESSURE: 4996000 -53.6387 -122.633 -16.1751 -21.7281 3.25026 -198.933 12.6325 -92.2902 -228.513 PRESSAVG: 4996000 52.5219 -36.9496 -13.5173 -36.9496 -38.9896 39.7369 -13.5173 39.7369 -20.5379 GPRESSAVG: 4996000 54.053 -39.2842 -14.3052 -35.2602 -39.0286 40.8122 -11.1329 40.0708 -22.1583 TIMING: 4996000 CPU: 15033.8, 0.00306642/step Wall: 15033.8, 0.00306642/step, 0.00340713 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: 4996000 765.8147 2183.7083 1963.8036 106.0815 -206477.4547 17849.3800 0.0000 0.0000 34248.9219 -149359.7447 299.1044 -183608.6666 -149260.1249 299.1742 -122.3658 -92.9671 557158.7364 -2.3352 -2.3780 PRESSURE: 4996200 21.8247 -6.47581 -8.1344 -6.47555 199.38 88.2866 -8.1342 88.2867 -186.97 GPRESSURE: 4996200 54.1774 38.2795 -10.7066 -13.2855 238.722 162.366 1.07403 91.2157 -156.703 PRESSAVG: 4996200 67.4185 -29.2398 -11.2544 -29.2397 -55.3271 23.6591 -11.2544 23.659 -29.3191 GPRESSAVG: 4996200 65.7673 -27.3056 -11.4632 -29.8967 -56.1161 21.7097 -12.7682 22.9374 -27.1206 TIMING: 4996200 CPU: 15034.4, 0.00305564/step Wall: 15034.4, 0.00305564/step, 0.00322539 hours remaining, 207.875000 MB of memory in use. ENERGY: 4996200 772.2174 2144.9132 1962.7487 107.8533 -206415.6179 17858.9534 0.0000 0.0000 34385.0815 -149183.8504 300.2935 -183568.9319 -149089.5625 298.9194 11.4117 45.3988 556537.6911 -5.7426 -5.8231 LDB: ============= START OF LOAD BALANCING ============== 15037.8 LDB: ============== END OF LOAD BALANCING =============== 15037.8 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15037.8 LDB: ============= START OF LOAD BALANCING ============== 15038.2 LDB: Largest compute 4820 load 0.030190 is 25.5% of average load 0.118227 LDB: Average compute 0.001711 is 1.4% of average load 0.118227 LDB: TIME 15038.2 LOAD: AVG 0.118227 MAX 0.221812 PROXIES: TOTAL 981 MAXPE 14 MAXPATCH 8 None MEM: 207.605 MB LDB: TIME 15038.2 LOAD: AVG 0.118227 MAX 0.221812 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.668 MB LDB: TIME 15038.2 LOAD: AVG 0.118227 MAX 0.221812 PROXIES: TOTAL 983 MAXPE 14 MAXPATCH 9 RefineTorusLB MEM: 207.668 MB LDB: ============== END OF LOAD BALANCING =============== 15038.2 Info: build node-aware spanning tree with send: 1, recv: 0 with branch factor 4 Info: useSync: 0 useProxySync: 0 LDB: =============== DONE WITH MIGRATION ================ 15038.2 PRESSURE: 4996400 327.187 14.8704 6.27079 14.8705 -54.0134 -48.8572 6.27094 -48.8585 46.8702 GPRESSURE: 4996400 275.343 9.8974 2.54458 -3.65299 33.1865 -56.602 84.7999 -80.1362 128.63 PRESSAVG: 4996400 66.8673 14.1846 -9.78591 14.1845 -65.8459 -0.544228 -9.78587 -0.544238 -35.3488 GPRESSAVG: 4996400 67.7904 13.3597 -10.3276 13.9244 -64.7108 2.14893 -11.5226 -1.40435 -36.9518 TIMING: 4996400 CPU: 15035, 0.00313061/step Wall: 15035, 0.00313061/step, 0.00313061 hours remaining, 207.605469 MB of memory in use. ENERGY: 4996400 749.2702 2079.8474 1970.2275 115.4119 -206436.3787 17855.2138 0.0000 0.0000 34471.3838 -149195.0241 301.0472 -183666.4079 -149103.0893 299.5152 106.6812 145.7198 555599.8759 -11.4425 -11.2907 PRESSURE: 4996600 -97.0827 90.5277 -4.35115 90.5272 -17.985 99.287 -4.35081 99.2885 27.5234 GPRESSURE: 4996600 -40.8334 112.364 116.636 83.458 -23.5637 48.4577 37.3904 129.075 76.9083 PRESSAVG: 4996600 38.5975 24.8627 45.1865 24.8627 -42.6165 -6.88136 45.1866 -6.8814 -33.9836 GPRESSAVG: 4996600 38.8127 26.4293 46.4635 25.1695 -42.9313 -8.36268 46.1204 -7.1977 -33.7737 TIMING: 4996600 CPU: 15035.6, 0.00305799/step Wall: 15035.6, 0.00305799/step, 0.0028881 hours remaining, 207.808594 MB of memory in use. ENERGY: 4996600 705.7712 2117.1916 1976.5961 116.7118 -206066.6741 17643.8181 0.0000 0.0000 34318.9637 -149187.6216 299.7160 -183506.5854 -149088.1381 299.4865 -29.1814 4.1704 557838.2066 -12.6675 -12.6308 PRESSURE: 4996800 62.2902 99.7913 -75.2415 99.7929 -194.723 17.5635 -75.2418 17.566 -123.471 GPRESSURE: 4996800 92.3018 86.1885 -27.3581 21.2162 -130.357 3.19551 -43.3444 47.9525 -119.818 PRESSAVG: 4996800 47.3928 17.514 12.4542 17.5142 -15.6778 21.317 12.4541 21.3172 -25.9458 GPRESSAVG: 4996800 46.0151 17.4824 13.1876 15.1998 -14.0803 20.1984 11.8728 22.4385 -26.0642 TIMING: 4996800 CPU: 15036.3, 0.00303486/step Wall: 15036.3, 0.00303486/step, 0.00269765 hours remaining, 207.808594 MB of memory in use. ENERGY: 4996800 753.6443 2122.2896 1945.7893 111.7037 -206220.5841 17760.3699 0.0000 0.0000 34341.4409 -149185.3464 299.9123 -183526.7873 -149092.3450 299.5109 -85.3010 -52.6244 557247.0388 1.9230 1.9569 PRESSURE: 4997000 -202.1 -187.476 36.7606 -187.476 -232.924 114.738 36.7601 114.738 -138.458 GPRESSURE: 4997000 -135.197 -157.395 82.7725 -185.893 -280.061 238.96 -14.0574 -13.3599 -49.2995 PRESSAVG: 4997000 46.6614 -12.0896 25.3585 -12.0896 2.78871 38.9466 25.3585 38.9466 -44.7853 GPRESSAVG: 4997000 46.4788 -11.5613 24.3569 -9.93599 1.50478 41.5824 27.983 37.774 -43.3006 TIMING: 4997000 CPU: 15036.9, 0.00305824/step Wall: 15036.9, 0.00305824/step, 0.00254853 hours remaining, 207.808594 MB of memory in use. ENERGY: 4997000 738.5564 2125.2696 1926.5341 118.9118 -205863.3989 17591.6314 0.0000 0.0000 34341.0308 -149021.4648 299.9088 -183362.4956 -148924.0653 299.0989 -191.1606 -154.8525 558053.8330 1.5550 1.5610 PRESSURE: 4997200 367.572 -40.4717 86.4895 -40.4728 177.162 195.851 86.4897 195.851 220.577 GPRESSURE: 4997200 410.575 -25.6435 88.2601 -27.5442 220.014 198.709 123.593 153.569 235.84 PRESSAVG: 4997200 -1.1156 -24.5518 40.4712 -24.5518 14.9969 34.9096 40.4712 34.9095 -21.2697 GPRESSAVG: 4997200 -0.0788587 -25.5033 40.4786 -23.1999 14.8504 35.5161 39.832 34.6583 -21.4168 TIMING: 4997200 CPU: 15037.5, 0.00304147/step Wall: 15037.5, 0.00304147/step, 0.00236559 hours remaining, 207.808594 MB of memory in use. ENERGY: 4997200 737.6776 2133.5192 1945.5565 115.6653 -206416.3770 18206.2393 0.0000 0.0000 34298.0620 -148979.6571 299.5335 -183277.7191 -148890.7686 299.6686 255.1037 288.8096 557064.7639 -2.4628 -2.2151 PRESSURE: 4997400 61.6045 152.022 -68.179 152.022 -164.873 -23.0982 -68.1783 -23.0978 -21.9635 GPRESSURE: 4997400 89.2918 219.632 -64.9395 153.383 -124.842 -15.9811 -146.011 13.726 4.01117 PRESSAVG: 4997400 35.2837 24.5286 53.8349 24.5286 -26.0583 -5.52567 53.8349 -5.52567 20.8195 GPRESSAVG: 4997400 35.4231 23.381 53.3952 22.0221 -26.2343 -5.86923 52.0082 -6.24183 20.6636 TIMING: 4997400 CPU: 15038.1, 0.00301446/step Wall: 15038.1, 0.00301446/step, 0.00217711 hours remaining, 207.808594 MB of memory in use. ENERGY: 4997400 751.9157 2090.3354 1933.1082 109.2150 -205744.1716 17772.7627 0.0000 0.0000 34220.8491 -148865.9855 298.8592 -183086.8346 -148776.6705 299.9936 -41.7440 -10.5131 558450.3133 10.0150 9.9508 PRESSURE: 4997600 -95.3472 -69.8069 104.728 -69.8056 174.19 -105.791 104.728 -105.792 -110.299 GPRESSURE: 4997600 -11.6357 23.7125 66.9539 -52.3594 157.967 -103.232 117.878 -96.1748 -89.3796 PRESSAVG: 4997600 -2.6885 80.7589 -16.9377 80.7589 -31.6155 9.13649 -16.9377 9.13652 32.9469 GPRESSAVG: 4997600 -3.5394 82.8962 -16.0527 80.8217 -30.7482 9.02696 -15.6644 10.7187 32.5404 TIMING: 4997600 CPU: 15038.7, 0.00306527/step Wall: 15038.7, 0.00306527/step, 0.00204351 hours remaining, 207.808594 MB of memory in use. ENERGY: 4997600 774.0602 2143.2432 1954.8396 106.4127 -206138.8480 17867.5948 0.0000 0.0000 34411.6633 -148881.0342 300.5256 -183292.6975 -148784.3120 299.9075 -10.4856 18.9841 559287.4231 -0.4524 -0.5824 PRESSURE: 4997800 205.136 -30.1231 1.36155 -30.1235 146.795 33.8001 1.36153 33.8006 340.795 GPRESSURE: 4997800 195.691 -77.8984 52.2223 24.0833 200.061 90.6844 -0.197323 4.28275 390.149 PRESSAVG: 4997800 60.3378 10.121 -15.1965 10.121 -63.0249 49.1574 -15.1965 49.1574 50.8894 GPRESSAVG: 4997800 59.6267 9.32589 -15.1815 11.345 -63.5323 49.432 -14.7989 48.3108 52.3799 TIMING: 4997800 CPU: 15039.3, 0.00305186/step Wall: 15039.3, 0.00305186/step, 0.00186502 hours remaining, 207.808594 MB of memory in use. ENERGY: 4997800 730.0628 2180.6127 1956.4851 106.7073 -206465.7254 18069.9387 0.0000 0.0000 34511.4572 -148910.4616 301.3971 -183421.9188 -148817.5880 300.2932 230.9087 261.9670 557070.8967 16.0674 16.1581 PRESSURE: 4998000 -12.3286 125.482 58.3436 125.482 -439.069 140.243 58.3447 140.243 -66.2447 GPRESSURE: 4998000 4.65546 142.792 126.719 72.3101 -385.696 56.0598 72.1723 136.433 -35.5023 PRESSAVG: 4998000 52.7047 56.7919 26.675 56.7918 -10.1538 27.6888 26.6751 27.6889 -13.5988 GPRESSAVG: 4998000 53.412 56.8166 25.7555 54.9084 -8.87571 26.8122 24.9137 28.1264 -15.5865 TIMING: 4998000 CPU: 15039.9, 0.00305008/step Wall: 15039.9, 0.00305008/step, 0.00169449 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: 4998000 721.1277 2122.0054 1939.6352 108.3228 -205785.6415 17654.2429 0.0000 0.0000 34412.7605 -148827.5470 300.5352 -183240.3074 -148729.6999 300.5132 -172.5476 -138.8475 559872.3982 9.6507 9.6499 PRESSURE: 4998200 -27.8811 77.6239 -3.88283 77.6251 -76.5671 50.7016 -3.8832 50.7002 14.3566 GPRESSURE: 4998200 41.0099 82.4069 -58.8486 67.0148 -8.91811 29.5598 32.7684 66.066 -11.8223 PRESSAVG: 4998200 -20.8629 -2.12904 -51.9307 -2.12904 6.32187 12.282 -51.9307 12.2821 -18.7284 GPRESSAVG: 4998200 -19.7267 -1.26365 -51.2998 -1.79145 6.08659 13.2268 -50.7409 10.2267 -19.2241 TIMING: 4998200 CPU: 15040.5, 0.0030529/step Wall: 15040.5, 0.0030529/step, 0.00152645 hours remaining, 207.808594 MB of memory in use. ENERGY: 4998200 748.2684 2112.8007 1937.0245 102.2447 -205928.0301 17594.1031 0.0000 0.0000 34532.6837 -148900.9049 301.5825 -183433.5886 -148803.4834 300.3356 -30.0305 6.7565 556779.0661 -11.0898 -10.9548 PRESSURE: 4998400 -85.0884 -34.7191 34.1514 -34.7177 -150.806 53.6214 34.15 53.6218 34.1139 GPRESSURE: 4998400 -56.4429 -50.5125 58.04 -28.8748 -123.76 102.683 -10.4535 -7.28287 73.4525 PRESSAVG: 4998400 28.3167 -14.0518 3.98097 -14.0519 -19.065 8.8914 3.98098 8.89129 10.5916 GPRESSAVG: 4998400 28.4541 -15.7968 4.00414 -14.0243 -19.9445 8.84608 4.80791 10.2389 11.3421 TIMING: 4998400 CPU: 15041.1, 0.0030358/step Wall: 15041.1, 0.0030358/step, 0.00134925 hours remaining, 207.808594 MB of memory in use. ENERGY: 4998400 761.8980 2173.8547 1942.6744 114.6902 -205973.4449 17773.1474 0.0000 0.0000 34461.2662 -148745.9141 300.9588 -183207.1803 -148650.6123 300.7048 -67.2601 -35.5834 557655.4868 6.6144 6.6172 PRESSURE: 4998600 15.5595 239.222 -154.767 239.222 252.786 -102.272 -154.767 -102.271 -213.954 GPRESSURE: 4998600 67.7762 216.953 -116.267 253.436 231.218 -57.9998 -164.459 -36.2585 -152.174 PRESSAVG: 4998600 72.8026 34.0896 -39.4689 34.0895 -70.2275 42.041 -39.469 42.041 -23.4702 GPRESSAVG: 4998600 71.2961 32.7272 -39.8047 35.3652 -70.2355 43.9817 -38.0813 41.4046 -22.1241 TIMING: 4998600 CPU: 15041.7, 0.00303597/step Wall: 15041.7, 0.00303597/step, 0.00118065 hours remaining, 207.808594 MB of memory in use. ENERGY: 4998600 766.6123 2178.7328 1960.7939 119.5797 -206118.8873 17836.5403 0.0000 0.0000 34352.9012 -148903.7271 300.0124 -183256.6283 -148805.8047 300.8842 18.1303 48.9398 558381.1181 -6.9650 -7.0212 PRESSURE: 4998800 44.4872 73.6119 -84.1615 73.6117 127.476 -66.3015 -84.1613 -66.302 70.3825 GPRESSURE: 4998800 -13.6807 61.9588 -30.8195 105.176 234.067 -68.9561 -34.6815 -91.6039 116.722 PRESSAVG: 4998800 19.8632 -25.3049 -27.6247 -25.3048 5.40229 -1.82148 -27.6247 -1.82152 -59.4765 GPRESSAVG: 4998800 21.0101 -22.687 -29.9646 -27.1735 4.75564 -3.07716 -29.65 -1.79523 -59.5942 TIMING: 4998800 CPU: 15042.3, 0.00303946/step Wall: 15042.3, 0.00303946/step, 0.00101315 hours remaining, 207.808594 MB of memory in use. ENERGY: 4998800 738.2193 2129.3950 1945.8351 109.1534 -206237.3526 17868.6131 0.0000 0.0000 34364.7536 -149081.3832 300.1159 -183446.1367 -148983.9663 300.4676 80.7820 112.3695 557037.0096 -11.4037 -11.2761 PRESSURE: 4999000 0.683393 207.147 56.6562 207.146 -144.218 142.304 56.6558 142.303 170.405 GPRESSURE: 4999000 23.7192 255.385 27.6362 188.889 -93.8667 143.687 121.898 117.539 186.558 PRESSAVG: 4999000 -35.7087 31.5509 38.951 31.5508 6.36349 -9.38069 38.951 -9.38082 17.5296 GPRESSAVG: 4999000 -36.3454 32.0142 42.4276 30.988 7.48974 -10.9745 38.7834 -8.22354 17.1772 TIMING: 4999000 CPU: 15043, 0.00306191/step Wall: 15043, 0.00306191/step, 0.000850531 hours remaining, 207.808594 MB of memory in use. ENERGY: 4999000 773.8943 2136.5167 1934.7803 121.4210 -206057.3891 17825.7067 0.0000 0.0000 34129.8331 -149135.2371 298.0643 -183265.0702 -149038.1130 299.8230 8.9570 38.8036 556765.5024 -3.9385 -3.8928 PRESSURE: 4999200 93.6528 -27.0926 -73.2642 -27.0915 5.80581 31.1357 -73.2634 31.1361 9.49591 GPRESSURE: 4999200 107.313 -31.9843 -63.9435 -53.8964 81.9323 77.3507 -18.7374 73.2064 12.8647 PRESSAVG: 4999200 50.646 8.88746 27.9665 8.8875 25.081 33.2972 27.9666 33.2973 -36.9209 GPRESSAVG: 4999200 50.9805 7.64074 27.1268 11.0799 24.2415 34.1001 30.4286 32.9346 -36.4085 TIMING: 4999200 CPU: 15043.6, 0.00305893/step Wall: 15043.6, 0.00305893/step, 0.000679763 hours remaining, 207.808594 MB of memory in use. ENERGY: 4999200 752.7998 2137.9579 1954.1677 115.1043 -205955.9879 17682.4955 0.0000 0.0000 34241.2572 -149072.2055 299.0374 -183313.4627 -148976.2142 299.8159 36.3182 67.3701 556713.3122 12.9354 12.9378 PRESSURE: 4999400 22.1915 -124.516 -114.526 -124.516 90.8986 27.3571 -114.525 27.3573 -125.759 GPRESSURE: 4999400 43.8568 -116.329 -45.7035 -124.91 155.816 41.3231 -114.264 2.23674 -116.433 PRESSAVG: 4999400 -18.9858 -21.9948 -19.2586 -21.995 1.54296 54.6817 -19.2586 54.6816 -3.66562 GPRESSAVG: 4999400 -19.7211 -22.5617 -19.6289 -22.7898 2.24263 52.7161 -18.263 56.553 -4.06153 TIMING: 4999400 CPU: 15044.2, 0.00305458/step Wall: 15044.2, 0.00305458/step, 0.000509096 hours remaining, 207.808594 MB of memory in use. ENERGY: 4999400 726.7819 2130.6591 1945.9480 126.1006 -206307.3461 17895.5886 0.0000 0.0000 34369.7381 -149112.5297 300.1595 -183482.2679 -149013.7803 299.8573 -4.2228 27.7468 556565.1526 -7.0362 -7.1800 PRESSURE: 4999600 99.3408 -148.867 17.0063 -148.868 -182.725 -55.3342 17.0065 -55.3358 36.2701 GPRESSURE: 4999600 127.539 -159.385 -34.7399 -167.869 -154.717 -99.4728 -30.6445 -69.0265 58.282 PRESSAVG: 4999600 -4.74726 7.35872 -14.9412 7.35878 9.21409 64.1223 -14.9412 64.1222 -33.0587 GPRESSAVG: 4999600 -3.92522 8.94691 -14.9534 7.35849 8.48185 66.3934 -16.8044 62.3231 -32.8032 TIMING: 4999600 CPU: 15044.8, 0.00305879/step Wall: 15044.8, 0.00305879/step, 0.000339865 hours remaining, 207.808594 MB of memory in use. ENERGY: 4999600 741.9912 2148.0389 1926.5191 106.3852 -206466.4269 17739.8459 0.0000 0.0000 34476.0242 -149327.6224 301.0877 -183803.6465 -149229.4877 299.5753 -15.7048 10.3682 556516.6405 -9.5306 -9.4155 PRESSURE: 4999800 76.105 87.1 7.62007 87.1005 -156.176 -190.579 7.61975 -190.579 250.107 GPRESSURE: 4999800 131.936 110.862 -76.1389 15.9866 -186.557 -131.395 30.9186 -179.789 326.53 PRESSAVG: 4999800 15.2573 -21.5732 -13.5293 -21.5732 -20.1517 10.791 -13.5294 10.791 36.8024 GPRESSAVG: 4999800 16.3423 -22.2643 -13.9226 -20.7809 -19.9503 10.1483 -14.0898 11.8144 35.4291 TIMING: 4999800 CPU: 15045.4, 0.00304625/step Wall: 15045.4, 0.00304625/step, 0.000169236 hours remaining, 207.808594 MB of memory in use. ENERGY: 4999800 787.3710 2170.8469 1984.6074 109.2773 -206609.5874 17958.8911 0.0000 0.0000 34251.6105 -149346.9832 299.1278 -183598.5938 -149252.7974 299.5096 56.6787 90.6363 555493.9556 10.6360 10.6070 PRESSURE: 5000000 302.156 79.6258 20.4799 79.6245 -283.731 -65.3292 20.4802 -65.3289 -34.5699 GPRESSURE: 5000000 296.556 68.6444 78.7214 38.4512 -186.088 0.744655 -45.5696 -116.523 -34.2124 PRESSAVG: 5000000 31.9981 32.0422 20.4267 32.0421 -59.6469 5.57446 20.4266 5.57456 6.44347 GPRESSAVG: 5000000 31.1859 33.0855 21.6966 29.8784 -60.2033 5.01788 19.9343 5.74762 7.7759 TIMING: 5000000 CPU: 15046, 0.00303484/step Wall: 15046, 0.00303484/step, 0 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: 5000000 742.0784 2117.0782 1958.4024 111.3428 -206396.2490 17906.3379 0.0000 0.0000 34293.4968 -149267.5125 299.4936 -183561.0093 -149174.0507 299.4425 -5.3817 25.4185 557539.3331 -7.0684 -7.0805 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 5000000 WRITING COORDINATES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART COORDINATES WRITING VELOCITIES TO RESTART FILE AT STEP 5000000 FINISHED WRITING RESTART VELOCITIES WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 5000000 CLOSING EXTENDED SYSTEM TRAJECTORY FILE WRITING COORDINATES TO OUTPUT FILE AT STEP 5000000 CLOSING COORDINATE DCD FILE MD.1.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 5000000 ==================================================== WallClock: 15049.893555 CPUTime: 15049.893555 Memory: 208.050781 MB [Partition 0][Node 0] End of program Application 48607654 resources: utime ~2374649s, stime ~28809s, Rss ~217000, inblocks ~403767, outblocks ~1030564